smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC001164643441 719217377 /nfs/dbraw/zinc/21/73/77/719217377.db2.gz YVJKPLLLUMSRBP-MNOVXSKESA-N 1 0 322.365 1.695 20 5 DDBDRO CCOC(=O)c1cc(-n2ccc(CC[NH3+])n2)ccc1[N+](=O)[O-] ZINC001167731701 737219687 /nfs/dbraw/zinc/21/96/87/737219687.db2.gz RNKWYCLNILNHCN-UHFFFAOYSA-N 1 0 304.306 1.458 20 5 DDBDRO Cc1cccc(C)c1OCC[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126943774 742943045 /nfs/dbraw/zinc/94/30/45/742943045.db2.gz WTHDNCVXFMMUCW-ZIAGYGMSSA-N 1 0 321.377 1.053 20 5 DDBDRO CCc1nn(C)c(NCC(C)(C)N2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC001117482009 748178507 /nfs/dbraw/zinc/17/85/07/748178507.db2.gz MZLOZQYJVFGMPU-UHFFFAOYSA-N 1 0 324.429 1.329 20 5 DDBDRO O=C(NCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(F)nc1 ZINC001124937348 748679132 /nfs/dbraw/zinc/67/91/32/748679132.db2.gz UVAKIGIIXNPTKO-UHFFFAOYSA-N 1 0 318.308 1.649 20 5 DDBDRO Cc1cc(NC(=O)N(C)CC[N@H+](C)CCO)ccc1[N+](=O)[O-] ZINC001202701549 749503889 /nfs/dbraw/zinc/50/38/89/749503889.db2.gz DMVUXJQEONUEQW-UHFFFAOYSA-N 1 0 310.354 1.291 20 5 DDBDRO C[NH+](C)CCCC(=O)NC/C=C/CNc1ccc([N+](=O)[O-])cn1 ZINC001107475764 749998788 /nfs/dbraw/zinc/99/87/88/749998788.db2.gz MVIKRZIIIHCNSZ-ONEGZZNKSA-N 1 0 321.381 1.416 20 5 DDBDRO CC[N@H+](C)CCC(=O)NCCCN(C)c1ccccc1[N+](=O)[O-] ZINC001095625183 750093010 /nfs/dbraw/zinc/09/30/10/750093010.db2.gz BTJNMKYREQNDPO-UHFFFAOYSA-N 1 0 322.409 1.879 20 5 DDBDRO CC(=O)NCC[NH+]1CCC(Nc2cccc(F)c2[N+](=O)[O-])CC1 ZINC001111309482 750443004 /nfs/dbraw/zinc/44/30/04/750443004.db2.gz OVPHKOIKNQZHPS-UHFFFAOYSA-N 1 0 324.356 1.746 20 5 DDBDRO [NH3+]CCN(c1cccnc1)c1ccc([N+](=O)[O-])c2c1CNC2=O ZINC001168839005 762064331 /nfs/dbraw/zinc/06/43/31/762064331.db2.gz UKASKNKKMMCBKR-UHFFFAOYSA-N 1 0 313.317 1.330 20 5 DDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(C[NH2+]Cc2cccnc2)CC1 ZINC000997770798 751270681 /nfs/dbraw/zinc/27/06/81/751270681.db2.gz YVHFSEVYHFZMEB-HUUCEWRRSA-N 1 0 318.377 1.075 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2nccn2CC(F)(F)F)C1 ZINC001168991963 762165551 /nfs/dbraw/zinc/16/55/51/762165551.db2.gz INLLCBJQPJSJIR-ZJUUUORDSA-N 1 0 306.288 1.980 20 5 DDBDRO O=C(c1ccccc1)N1CC[C@@H]([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168994085 762167658 /nfs/dbraw/zinc/16/76/58/762167658.db2.gz OXBJRBWPMOGJKW-FVQBIDKESA-N 1 0 317.389 1.936 20 5 DDBDRO COc1cccc(CNC(=O)C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001168998330 762170597 /nfs/dbraw/zinc/17/05/97/762170597.db2.gz LHXIYOZZQMDNHZ-ZIAGYGMSSA-N 1 0 321.377 1.346 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCN(CCc3ccncc3)CC2)C1 ZINC001169030244 762186784 /nfs/dbraw/zinc/18/67/84/762186784.db2.gz XHQLMKDKPBVSFI-IAGOWNOFSA-N 1 0 318.421 1.687 20 5 DDBDRO CC(=O)N1CCCC[C@]12CC[N@@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169030353 762186366 /nfs/dbraw/zinc/18/63/66/762186366.db2.gz YYQFHTZRXZOLFS-HRCADAONSA-N 1 0 309.410 1.909 20 5 DDBDRO O=C1CC[C@H]2[C@H](CC[N@H+]2[C@H]2CC[C@H](C[N+](=O)[O-])C2)N1CC1CC1 ZINC001169019306 762199971 /nfs/dbraw/zinc/19/99/71/762199971.db2.gz HOAZBEKFZLGCFT-VGWMRTNUSA-N 1 0 321.421 1.907 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2C[C@H]3CN(CC4CC4)C[C@@H](C2)O3)C1 ZINC001169023822 762202302 /nfs/dbraw/zinc/20/23/02/762202302.db2.gz FLWKVSDPPWPYRE-QXSJWSMHSA-N 1 0 309.410 1.227 20 5 DDBDRO Cc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c(C)n1 ZINC001020138895 760613097 /nfs/dbraw/zinc/61/30/97/760613097.db2.gz GUUUSHOZWNXCFO-KBUPBQIOSA-N 1 0 318.377 1.100 20 5 DDBDRO Cc1nc(C)c(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)s1 ZINC001020138966 760613144 /nfs/dbraw/zinc/61/31/44/760613144.db2.gz KGEPOXCWYXWQBL-DDHJBXDOSA-N 1 0 324.406 1.162 20 5 DDBDRO Cc1cc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cs1 ZINC001020139530 760614074 /nfs/dbraw/zinc/61/40/74/760614074.db2.gz CYNDEXLUGBYMKT-FDYHWXHSSA-N 1 0 309.391 1.459 20 5 DDBDRO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2ccsc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001086084401 760944432 /nfs/dbraw/zinc/94/44/32/760944432.db2.gz PLQBNRGMWGWLGR-YVECIDJPSA-N 1 0 309.391 1.398 20 5 DDBDRO O=C(NC[C@H]1C[C@H]([NH2+]CC2=CCCCC2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001086363440 761493195 /nfs/dbraw/zinc/49/31/95/761493195.db2.gz URTPAOXKIXEMEF-KBUPBQIOSA-N 1 0 307.394 1.636 20 5 DDBDRO C[C@@H](Nc1ncc([N+](=O)[O-])cc1C(F)(F)F)[C@H]1C[NH2+]CCO1 ZINC001170566178 768167192 /nfs/dbraw/zinc/16/71/92/768167192.db2.gz DVMMFALMUKLILM-GMSGAONNSA-N 1 0 320.271 1.797 20 5 DDBDRO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CN(CCc2ccccc2)C1 ZINC001042705050 764372542 /nfs/dbraw/zinc/37/25/42/764372542.db2.gz IUUDJUIFJNAWLE-HUUCEWRRSA-N 1 0 303.362 1.037 20 5 DDBDRO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1C[NH+](CCCC2CCCC2)C1 ZINC001042705625 764373519 /nfs/dbraw/zinc/37/35/19/764373519.db2.gz VAZSMCBQEYGQFP-HUUCEWRRSA-N 1 0 309.410 1.765 20 5 DDBDRO COc1ccc(C[C@@H](C)[NH2+]C2(CO)CCOCC2)c([N+](=O)[O-])c1 ZINC001170307561 766258393 /nfs/dbraw/zinc/25/83/93/766258393.db2.gz HLYHCUWNAKVDIN-GFCCVEGCSA-N 1 0 324.377 1.666 20 5 DDBDRO Cc1c(CC[NH3+])c(=O)[nH]n1-c1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC001170337912 766270475 /nfs/dbraw/zinc/27/04/75/766270475.db2.gz JPIFEOMQIXGWLW-UHFFFAOYSA-N 1 0 317.349 1.570 20 5 DDBDRO O=C(CC1=CCOCC1)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001133398587 769769245 /nfs/dbraw/zinc/76/92/45/769769245.db2.gz DJHALXBYLSTQIF-UHFFFAOYSA-N 1 0 319.361 1.537 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])cc(N[C@@H]2C[C@H]3CC[N@H+](C2)[C@@H]3C)n1 ZINC001170965889 771969766 /nfs/dbraw/zinc/96/97/66/771969766.db2.gz XKWFCCKDAMQLFV-GMTAPVOTSA-N 1 0 320.349 1.671 20 5 DDBDRO C[NH+](C)CCC(=O)NC[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC001091512378 772795748 /nfs/dbraw/zinc/79/57/48/772795748.db2.gz OXDDWJQEFOAEHF-HAQNSBGRSA-N 1 0 321.381 1.248 20 5 DDBDRO [NH3+]Cc1ccc2cn(-c3ncnc4[nH]cc([N+](=O)[O-])c43)nc2c1 ZINC001171322325 773373408 /nfs/dbraw/zinc/37/34/08/773373408.db2.gz ZOXRGIPMFIBZRX-UHFFFAOYSA-N 1 0 309.289 1.664 20 5 DDBDRO COc1ccnc(N2c3ccccc3OC[C@@H]2C[NH3+])c1[N+](=O)[O-] ZINC001171390742 774349034 /nfs/dbraw/zinc/34/90/34/774349034.db2.gz YWHPYDJMUQIHNU-JTQLQIEISA-N 1 0 316.317 1.856 20 5 DDBDRO CC(C)[N@H+](C)CC(=O)NCCN(C)c1ccc([N+](=O)[O-])cc1 ZINC001100149761 775735485 /nfs/dbraw/zinc/73/54/85/775735485.db2.gz PGUUVFFBHMJPGN-UHFFFAOYSA-N 1 0 308.382 1.487 20 5 DDBDRO CC[N@H+](C)CCC(=O)NCCCNc1ncccc1[N+](=O)[O-] ZINC001094574535 776049554 /nfs/dbraw/zinc/04/95/54/776049554.db2.gz YVVKWKIHVOZJPX-UHFFFAOYSA-N 1 0 309.370 1.250 20 5 DDBDRO CCN(CCNC(=O)CC[N@H+](C)CC)c1ccccc1[N+](=O)[O-] ZINC001100607000 776358628 /nfs/dbraw/zinc/35/86/28/776358628.db2.gz GUENKZOJKXCRIS-UHFFFAOYSA-N 1 0 322.409 1.879 20 5 DDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@H]2CN(C)C(=O)[C@H]2C1 ZINC001173227391 777062600 /nfs/dbraw/zinc/06/26/00/777062600.db2.gz OCRIOMMJHBTCIP-LNSITVRQSA-N 1 0 303.362 1.546 20 5 DDBDRO COCCCC[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001178463935 779060941 /nfs/dbraw/zinc/06/09/41/779060941.db2.gz OFRBHYQUWZTXCM-ZIAGYGMSSA-N 1 0 315.414 1.344 20 5 DDBDRO Cc1cncc([N+](=O)[O-])c1NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC001117243985 780693554 /nfs/dbraw/zinc/69/35/54/780693554.db2.gz NPOXBTOUWCEJDZ-CQSZACIVSA-N 1 0 321.425 1.404 20 5 DDBDRO [NH3+]CCN(CC(F)(F)F)C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC001119303354 781399071 /nfs/dbraw/zinc/39/90/71/781399071.db2.gz SWROIXSIKWLKNQ-UHFFFAOYSA-N 1 0 309.219 1.697 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)CN(C[C@H]1CC3(C[NH2+]C3)CO1)CC2 ZINC001119618486 781538549 /nfs/dbraw/zinc/53/85/49/781538549.db2.gz LKDQKCRGTWPJRF-OAHLLOKOSA-N 1 0 303.362 1.331 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC001120025412 781728849 /nfs/dbraw/zinc/72/88/49/781728849.db2.gz QYNNVCGHQIRUDO-OCCSQVGLSA-N 1 0 323.397 1.508 20 5 DDBDRO CCOC(=O)CC[C@H](OCCC[N+](C)(C)C)C(=O)OCC ZINC001224622206 844923873 /nfs/dbraw/zinc/92/38/73/844923873.db2.gz GGPMHIHWENODGQ-ZDUSSCGKSA-N 1 0 304.407 1.374 20 5 DDBDRO O=C(c1cc(F)ccc1[N+](=O)[O-])N1CC([NH2+]C2CCOCC2)C1 ZINC001155332253 861971246 /nfs/dbraw/zinc/97/12/46/861971246.db2.gz UPWZTEHSHYQLBX-UHFFFAOYSA-N 1 0 323.324 1.327 20 5 DDBDRO COc1ncnc2c1CC[N@@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169021295 850518425 /nfs/dbraw/zinc/51/84/25/850518425.db2.gz KLLPFFRQTUERTH-NWDGAFQWSA-N 1 0 306.366 1.331 20 5 DDBDRO O=[N+]([O-])c1cccc2ncnc(NC[C@@H]3CO[C@@H]4C[NH2+]C[C@H]34)c21 ZINC001155484822 862148440 /nfs/dbraw/zinc/14/84/40/862148440.db2.gz ULUKKNDLUFGGBV-GIPNMCIBSA-N 1 0 315.333 1.184 20 5 DDBDRO COc1cc(N[C@H]2CCCC[C@@]23C[NH2+]CCO3)ncc1[N+](=O)[O-] ZINC001155824075 862478344 /nfs/dbraw/zinc/47/83/44/862478344.db2.gz IKXWZGAVEZBIRS-DZGCQCFKSA-N 1 0 322.365 1.712 20 5 DDBDRO C[C@H](CC[NH+](C)C)C(=O)N[C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC001151595240 862862692 /nfs/dbraw/zinc/86/26/92/862862692.db2.gz IUXYXSSXSFWSTD-WBMJQRKESA-N 1 0 323.393 1.506 20 5 DDBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NOCC[NH+](C)C ZINC001328308913 862888474 /nfs/dbraw/zinc/88/84/74/862888474.db2.gz FAOVQRBDZKRSPH-CYBMUJFWSA-N 1 0 309.366 1.773 20 5 DDBDRO O=C(Cc1ccccc1[N+](=O)[O-])N1CC[C@]2(C1)CCCC[NH2+]2 ZINC001122325682 858753219 /nfs/dbraw/zinc/75/32/19/858753219.db2.gz ZTFVTYLEEUYRGF-INIZCTEOSA-N 1 0 303.362 1.882 20 5 DDBDRO O=[N+]([O-])c1ccnc(N(c2cnccn2)C2CC[NH2+]CC2)c1 ZINC001157538110 863900032 /nfs/dbraw/zinc/90/00/32/863900032.db2.gz VNDXULWLRMABFF-UHFFFAOYSA-N 1 0 300.322 1.670 20 5 DDBDRO Cc1nc(CC[NH3+])nn1-c1nc(Cl)c(Cl)cc1[N+](=O)[O-] ZINC001158128363 864445603 /nfs/dbraw/zinc/44/56/03/864445603.db2.gz BSBHNVLOTZYBSU-UHFFFAOYSA-N 1 0 317.136 1.687 20 5 DDBDRO C[C@@H]1C[C@H](N(C)C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC001330570312 864458392 /nfs/dbraw/zinc/45/83/92/864458392.db2.gz AESZOOKKNROUAC-UXIGCNINSA-N 1 0 321.377 1.569 20 5 DDBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1-n1ccc([C@H](C)[NH3+])n1 ZINC001158350738 864595854 /nfs/dbraw/zinc/59/58/54/864595854.db2.gz OBABUBWYLLFSPW-QMMMGPOBSA-N 1 0 305.294 1.372 20 5 DDBDRO CC(C)[N@@H+]1CCN(c2ncc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@@H]1C ZINC001158494827 864688086 /nfs/dbraw/zinc/68/80/86/864688086.db2.gz RAYDYMCVWBOMJD-JTQLQIEISA-N 1 0 309.326 1.817 20 5 DDBDRO CO[C@@H]1CN(c2nc(Cl)c(Cl)cc2[N+](=O)[O-])C[C@@H]1[NH3+] ZINC001158705503 864830153 /nfs/dbraw/zinc/83/01/53/864830153.db2.gz NSFAGVPZXHEQKG-POYBYMJQSA-N 1 0 307.137 1.459 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(N[C@H](C)[C@@H]2C[NH2+]CCO2)nc1Cl ZINC001159496597 865348771 /nfs/dbraw/zinc/34/87/71/865348771.db2.gz KKLHVMGPTABAKA-SCZZXKLOSA-N 1 0 300.746 1.740 20 5 DDBDRO C[C@H](Nc1cnc2ccc([N+](=O)[O-])cc2n1)[C@@H]1C[NH2+]CCO1 ZINC001159497454 865349313 /nfs/dbraw/zinc/34/93/13/865349313.db2.gz OAUOGJYFEDVDLK-ZANVPECISA-N 1 0 303.322 1.327 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cccc(C(F)(F)F)n1 ZINC001225703807 881985509 /nfs/dbraw/zinc/98/55/09/881985509.db2.gz DNZOGSVTZBFCOB-SECBINFHSA-N 1 0 307.292 1.463 20 5 DDBDRO Cc1ccc(C[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1F ZINC001323443999 866614001 /nfs/dbraw/zinc/61/40/01/866614001.db2.gz UAWFNJMZPLCZHH-TZMCWYRMSA-N 1 0 321.352 1.538 20 5 DDBDRO Cc1cc(-n2cc(C[NH3+])cnc2=N)nc2ccc([N+](=O)[O-])cc12 ZINC001161415676 866648471 /nfs/dbraw/zinc/64/84/71/866648471.db2.gz WVDLHMXXUFGWPG-UHFFFAOYSA-N 1 0 310.317 1.575 20 5 DDBDRO C[C@@H]1C[NH2+]CCC[C@H]1CNc1cc([N+](=O)[O-])c2nncn2c1 ZINC001162468297 867554033 /nfs/dbraw/zinc/55/40/33/867554033.db2.gz WOZKEQFBMLWHFE-MNOVXSKESA-N 1 0 304.354 1.685 20 5 DDBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1Cc2ccccc2C[C@H]1C[NH3+] ZINC001162744638 867795827 /nfs/dbraw/zinc/79/58/27/867795827.db2.gz WCYYXZPXXXPBDC-AWEZNQCLSA-N 1 0 314.345 1.427 20 5 DDBDRO COc1ncc([N+](=O)[O-])c(N2C[C@H]([NH3+])Cc3ccccc32)n1 ZINC001162845776 867863215 /nfs/dbraw/zinc/86/32/15/867863215.db2.gz VLYQAQMJUPOPRZ-SNVBAGLBSA-N 1 0 301.306 1.415 20 5 DDBDRO COC(=O)[C@@H](Nc1ccnc2c1cccc2[N+](=O)[O-])C(C)(C)[NH3+] ZINC001162950309 867938134 /nfs/dbraw/zinc/93/81/34/867938134.db2.gz SGIDSAYTZRWIBI-CYBMUJFWSA-N 1 0 318.333 1.834 20 5 DDBDRO C[C@@H]1[C@H](NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CC[N@@H+]1C ZINC001335230802 868157954 /nfs/dbraw/zinc/15/79/54/868157954.db2.gz REBSTVOKKFOCFN-IAQYHMDHSA-N 1 0 318.377 1.755 20 5 DDBDRO COc1cc(NC[C@H]2OC[C@H]3C[NH2+]CC[C@H]32)cnc1[N+](=O)[O-] ZINC001163176784 868190819 /nfs/dbraw/zinc/19/08/19/868190819.db2.gz WTKCJMQJWCGWGY-IRUJWGPZSA-N 1 0 308.338 1.035 20 5 DDBDRO Cn1cc(N[C@@H]2CC[NH2+][C@H]2c2ccccc2)cc([N+](=O)[O-])c1=O ZINC001163211484 868218863 /nfs/dbraw/zinc/21/88/63/868218863.db2.gz GTYGEYJDVXPPJQ-HIFRSBDPSA-N 1 0 314.345 1.809 20 5 DDBDRO C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC001322735653 868355326 /nfs/dbraw/zinc/35/53/26/868355326.db2.gz DXRWRSORJXVRST-OLZOCXBDSA-N 1 0 324.356 1.919 20 5 DDBDRO O=[N+]([O-])c1ccc(NCCNC[C@@H](O)C[NH+]2CCCC2)cc1 ZINC001335898631 868605570 /nfs/dbraw/zinc/60/55/70/868605570.db2.gz UIYGMHPBOGOMOL-OAHLLOKOSA-N 1 0 308.382 1.053 20 5 DDBDRO CN(c1ccc([N+](=O)[O-])c2ccccc21)S(=O)(=O)CC[NH3+] ZINC001164297493 869098680 /nfs/dbraw/zinc/09/86/80/869098680.db2.gz VKCHMDJEFBCZAO-UHFFFAOYSA-N 1 0 309.347 1.473 20 5 DDBDRO CCO[C@@]1(C)C[C@H]1[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC001336845999 869180564 /nfs/dbraw/zinc/18/05/64/869180564.db2.gz UDYSASWPBVFZHZ-DFBGVHRSSA-N 1 0 310.350 1.492 20 5 DDBDRO O=C(NCCC1(C[NH2+]Cc2cscn2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001164494576 869234359 /nfs/dbraw/zinc/23/43/59/869234359.db2.gz NBIQCJAKPCNHKA-VXGBXAGGSA-N 1 0 324.406 1.184 20 5 DDBDRO CCOC(=O)c1ccnc(N2C[C@@H]3C[NH+](C)C[C@H]3C2)c1[N+](=O)[O-] ZINC001165151276 869411652 /nfs/dbraw/zinc/41/16/52/869411652.db2.gz QMKPPEHQOCXJAW-QWRGUYRKSA-N 1 0 320.349 1.164 20 5 DDBDRO COc1nc(C)c([N+](=O)[O-])c(N2CC[C@]3(C2)CCC[NH2+]C3)n1 ZINC001165238455 869458240 /nfs/dbraw/zinc/45/82/40/869458240.db2.gz AZCUHSNSVTYDRH-CQSZACIVSA-N 1 0 307.354 1.282 20 5 DDBDRO O=[N+]([O-])c1cc(Cl)nc(N2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)c1 ZINC001165287368 869497707 /nfs/dbraw/zinc/49/77/07/869497707.db2.gz VRFFTAMGRPNCSU-MWLCHTKSSA-N 1 0 312.757 1.458 20 5 DDBDRO [NH3+][C@H]1[C@H]2CN(c3nc(Cl)nc4ccc([N+](=O)[O-])cc43)C[C@@H]12 ZINC001165382627 869554858 /nfs/dbraw/zinc/55/48/58/869554858.db2.gz BHXIWNMKISGWSZ-DOFRTFSJSA-N 1 0 305.725 1.585 20 5 DDBDRO CN(CC1C[NH+](C)C1)C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001165586895 869645082 /nfs/dbraw/zinc/64/50/82/869645082.db2.gz NLBRBAXRGCJWPB-UHFFFAOYSA-N 1 0 311.769 1.811 20 5 DDBDRO O=[N+]([O-])c1cnc(NC2CCN(c3cc[nH+]cc3)CC2)nc1 ZINC001338313763 869918061 /nfs/dbraw/zinc/91/80/61/869918061.db2.gz MZXOLTFAMHCLJQ-UHFFFAOYSA-N 1 0 300.322 1.861 20 5 DDBDRO Cc1cc(OCC(=O)NC[C@@H]2CCCC[N@H+]2C)ccc1[N+](=O)[O-] ZINC001339268225 870430344 /nfs/dbraw/zinc/43/03/44/870430344.db2.gz XCOVECHBCROMJM-ZDUSSCGKSA-N 1 0 321.377 1.883 20 5 DDBDRO C[NH+]1CCN(c2cccnc2Nc2ccc([N+](=O)[O-])nc2)CC1 ZINC001203569687 870645609 /nfs/dbraw/zinc/64/56/09/870645609.db2.gz KPIBKGBECYVEHE-UHFFFAOYSA-N 1 0 314.349 1.880 20 5 DDBDRO C[C@H]1CC[C@H](NC(=O)CCc2cc(F)ccc2[N+](=O)[O-])C[NH2+]1 ZINC001340716685 871305500 /nfs/dbraw/zinc/30/55/00/871305500.db2.gz DVZPWGOBLDVEAH-GWCFXTLKSA-N 1 0 309.341 1.923 20 5 DDBDRO Nc1cc(CCCCNC(=O)c2ccc([N+](=O)[O-])[nH]2)cc[nH+]1 ZINC001306089716 871322342 /nfs/dbraw/zinc/32/23/42/871322342.db2.gz DPURWONRXXVYCS-UHFFFAOYSA-N 1 0 303.322 1.653 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](C(=O)N(C)C)C1 ZINC001308108816 871471357 /nfs/dbraw/zinc/47/13/57/871471357.db2.gz MKFPHSMQZMAEDC-CYBMUJFWSA-N 1 0 321.377 1.904 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1C[C@H](CO)[C@H](CCO)C1 ZINC001308982662 871542360 /nfs/dbraw/zinc/54/23/60/871542360.db2.gz FVLIVSWWJKWIIW-ZIAGYGMSSA-N 1 0 308.378 1.634 20 5 DDBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc(C[C@H]2CCCC[NH2+]2)n1 ZINC001205979250 871972892 /nfs/dbraw/zinc/97/28/92/871972892.db2.gz CULKTJZJEMMNCF-SECBINFHSA-N 1 0 307.285 1.864 20 5 DDBDRO COC[C@H]1C[NH2+]CCN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC001343176915 872525740 /nfs/dbraw/zinc/52/57/40/872525740.db2.gz AYIFTTWQKKGXRO-SNVBAGLBSA-N 1 0 313.741 1.309 20 5 DDBDRO C/C=C(\C)C(=O)NC1CCN(Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC001226809149 882665902 /nfs/dbraw/zinc/66/59/02/882665902.db2.gz ABDQAPKBKUQPQE-NYYWCZLTSA-N 1 0 321.381 1.375 20 5 DDBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1C[C@@H](CO)C1 ZINC001207140837 873060078 /nfs/dbraw/zinc/06/00/78/873060078.db2.gz BYGRVTXPWPVYPC-GMXVVIOVSA-N 1 0 307.350 1.672 20 5 DDBDRO O=C([C@@H]1C[NH2+]CCC1(F)F)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001345597743 873449801 /nfs/dbraw/zinc/44/98/01/873449801.db2.gz UPLYSNXYBSKFQU-LBPRGKRZSA-N 1 0 311.288 1.682 20 5 DDBDRO CC[C@@]1(C(=O)NCc2cc([N+](=O)[O-])ccc2OC)CC[NH2+]C1 ZINC001348942728 874888093 /nfs/dbraw/zinc/88/80/93/874888093.db2.gz ZJDPKSJWOPNWIK-OAHLLOKOSA-N 1 0 307.350 1.609 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[NH2+]CCC12CCC2 ZINC001349875696 875425576 /nfs/dbraw/zinc/42/55/76/875425576.db2.gz XJBYTVODGYTSRZ-UHFFFAOYSA-N 1 0 304.350 1.656 20 5 DDBDRO C[N@@H+]1CC[C@@H](CC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001352216038 876649890 /nfs/dbraw/zinc/64/98/90/876649890.db2.gz GNLJMOFSEWSNBC-LBPRGKRZSA-N 1 0 303.362 1.821 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@H]1CCCC[N@H+]1C ZINC001353895338 877635296 /nfs/dbraw/zinc/63/52/96/877635296.db2.gz TVOYUUWNPPFVLM-GFCCVEGCSA-N 1 0 309.370 1.090 20 5 DDBDRO C[C@H]([NH2+]CC[N+](=O)[O-])[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001354594712 878095275 /nfs/dbraw/zinc/09/52/75/878095275.db2.gz MHOKZSSASIUORS-NWDGAFQWSA-N 1 0 301.387 1.888 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001355096076 878424207 /nfs/dbraw/zinc/42/42/07/878424207.db2.gz XOZDRHAJTAMGNY-NWDGAFQWSA-N 1 0 319.361 1.675 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC001358063210 880311431 /nfs/dbraw/zinc/31/14/31/880311431.db2.gz TZWBKBXLMDFNFQ-HNNXBMFYSA-N 1 0 321.381 1.092 20 5 DDBDRO COC(=O)c1cccc([N+](=O)[O-])c1CO[C@H]1CCC[N@H+](C)C1 ZINC001222772316 880693427 /nfs/dbraw/zinc/69/34/27/880693427.db2.gz ALTRDJSUZIZNOL-NSHDSACASA-N 1 0 308.334 1.992 20 5 DDBDRO CO[C@@H]1CC[N@H+](CCOCc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC001222932106 880749234 /nfs/dbraw/zinc/74/92/34/880749234.db2.gz QCJOCNUCCFXMAS-GFCCVEGCSA-N 1 0 321.333 1.973 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)OCc1ccnc2ccccc12 ZINC001223169734 880857267 /nfs/dbraw/zinc/85/72/67/880857267.db2.gz HWINEQHIFRGJQO-CQSZACIVSA-N 1 0 303.382 1.735 20 5 DDBDRO CC[N@@H+]1CC[C@@H](OCc2cccc([N+](=O)[O-])c2C(=O)OC)C1 ZINC001223292833 880908973 /nfs/dbraw/zinc/90/89/73/880908973.db2.gz AJTJJWMSZGDPRC-GFCCVEGCSA-N 1 0 308.334 1.992 20 5 DDBDRO CC[N@@H+]1CC[C@H](OCc2ccc(C(=O)OC)cc2[N+](=O)[O-])C1 ZINC001223413622 880951956 /nfs/dbraw/zinc/95/19/56/880951956.db2.gz MHOOCIOSSDZKBQ-ZDUSSCGKSA-N 1 0 308.334 1.992 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc2cc(O)ccc2c1 ZINC001228274764 883416906 /nfs/dbraw/zinc/41/69/06/883416906.db2.gz IVTBFRKKNRNRBD-OAHLLOKOSA-O 1 0 304.366 1.908 20 5 DDBDRO COC(=O)c1cc(O[C@@H](C)C[N+](C)(C)C)cc(C(=O)OC)c1 ZINC001228439336 883498849 /nfs/dbraw/zinc/49/88/49/883498849.db2.gz HOTGKVMEQNEIOI-NSHDSACASA-N 1 0 310.370 1.733 20 5 DDBDRO CC(=O)O[C@H]1C[C@@H]2C[C@H](Oc3ccnc([N+](=O)[O-])c3)C[C@H]1[N@@H+]2C ZINC001233858967 887397245 /nfs/dbraw/zinc/39/72/45/887397245.db2.gz IZUYNXQVGDWGNJ-DEQVHRJGSA-N 1 0 321.333 1.535 20 5 DDBDRO Cc1cc(OC(=O)C[C@@H](O)C[N+](C)(C)C)cnc1OC(C)C ZINC001234277219 887815980 /nfs/dbraw/zinc/81/59/80/887815980.db2.gz HCSTYHUWEPASSY-CYBMUJFWSA-N 1 0 311.402 1.540 20 5 DDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCN1CCC[C@H](O)C1 ZINC001254539602 896494286 /nfs/dbraw/zinc/49/42/86/896494286.db2.gz FTXXPTZIQPAOTR-ZFWWWQNUSA-N 1 0 307.394 1.572 20 5 DDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H]2[C@H](C1)OCCN2C ZINC001254554550 896499185 /nfs/dbraw/zinc/49/91/85/896499185.db2.gz BOISKXGTLPDPLW-MAZHCROVSA-N 1 0 305.378 1.541 20 5 DDBDRO NC(=O)c1ccccc1C[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254580838 896513746 /nfs/dbraw/zinc/51/37/46/896513746.db2.gz GIWVBGAVDXYCBO-CQSZACIVSA-N 1 0 311.341 1.951 20 5 DDBDRO CC(=O)N1CC[C@H](C[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254587351 896517998 /nfs/dbraw/zinc/51/79/98/896517998.db2.gz PNKHEDXTNCTGNS-DOMZBBRYSA-N 1 0 303.362 1.520 20 5 DDBDRO CC(=O)N[C@H]1CCC[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254600391 896523657 /nfs/dbraw/zinc/52/36/57/896523657.db2.gz PNCYLLMBLZESCU-HOCLYGCPSA-N 1 0 303.362 1.663 20 5 DDBDRO CC(=O)N1CCC2(C[NH+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)C1 ZINC001254598229 896524659 /nfs/dbraw/zinc/52/46/59/896524659.db2.gz XNSCHXBSHQDCPJ-INIZCTEOSA-N 1 0 315.373 1.616 20 5 DDBDRO COc1cc(N2CCC([NH2+][C@@H]3C[C@H]3N)CC2)ccc1[N+](=O)[O-] ZINC001256087526 897277653 /nfs/dbraw/zinc/27/76/53/897277653.db2.gz DPVFOBJWPXHDTD-CHWSQXEVSA-N 1 0 306.366 1.261 20 5 DDBDRO Cc1c(CNC(=O)N[C@H]2C[NH2+]CC2(C)C)cccc1[N+](=O)[O-] ZINC001262581179 900260689 /nfs/dbraw/zinc/26/06/89/900260689.db2.gz KMHNIUZBRPJGSN-ZDUSSCGKSA-N 1 0 306.366 1.700 20 5 DDBDRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001263130090 900508229 /nfs/dbraw/zinc/50/82/29/900508229.db2.gz JXPOBDAODKKADX-PUPMMZHASA-N 1 0 303.362 1.955 20 5 DDBDRO CC[C@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000248636969 282095064 /nfs/dbraw/zinc/09/50/64/282095064.db2.gz YFVLIOWJJYFLHD-IPYPFGDCSA-N 1 0 324.377 1.882 20 5 DDBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@@H](CO)[C@@H]1CCCO1 ZINC000447912094 230504337 /nfs/dbraw/zinc/50/43/37/230504337.db2.gz JJFCBEKHCUQREI-AAEUAGOBSA-N 1 0 300.742 1.878 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1(N2CCOCC2)CC1 ZINC000449284698 230594715 /nfs/dbraw/zinc/59/47/15/230594715.db2.gz PJYVOOYFEHFTQG-CQSZACIVSA-N 1 0 319.405 1.980 20 5 DDBDRO CC[C@H]([NH2+]C[C@H](O)Cn1ccnn1)c1cccc([N+](=O)[O-])c1 ZINC000414178794 529619791 /nfs/dbraw/zinc/61/97/91/529619791.db2.gz KFWRWNWYDVTUJK-KBPBESRZSA-N 1 0 305.338 1.288 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000614934628 362084889 /nfs/dbraw/zinc/08/48/89/362084889.db2.gz AVLKBCQZAONQOU-JTQLQIEISA-N 1 0 308.338 1.819 20 5 DDBDRO C[C@@](CO)([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)C1CCCCC1 ZINC000090550298 185302489 /nfs/dbraw/zinc/30/24/89/185302489.db2.gz DSABKZWXFHMMJS-INIZCTEOSA-N 1 0 323.393 1.677 20 5 DDBDRO CN(CCn1cc([N+](=O)[O-])ccc1=O)C[C@@H]1CCC[N@H+](C)C1 ZINC000090550399 185302530 /nfs/dbraw/zinc/30/25/30/185302530.db2.gz YGDDNLZMJVOZLN-CYBMUJFWSA-N 1 0 308.382 1.030 20 5 DDBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000418498131 529933564 /nfs/dbraw/zinc/93/35/64/529933564.db2.gz LGPRAFICSIZHBA-CQSZACIVSA-N 1 0 306.366 1.516 20 5 DDBDRO C[NH2+][C@@H]1CCCN(C(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000493327786 530042789 /nfs/dbraw/zinc/04/27/89/530042789.db2.gz VIRSKPDZLAEYNC-SCXUMTSISA-N 1 0 307.325 1.958 20 5 DDBDRO C[C@H]([NH2+]C[C@H]1CS(=O)(=O)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000358305321 299116250 /nfs/dbraw/zinc/11/62/50/299116250.db2.gz ZMYQQZGYDZVZIN-GWCFXTLKSA-N 1 0 314.363 1.059 20 5 DDBDRO C[C@@H]([NH3+])C[C@@H](C)NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000320717981 290821592 /nfs/dbraw/zinc/82/15/92/290821592.db2.gz VIUGNXFYXFWDCM-HTQZYQBOSA-N 1 0 321.786 1.652 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1CCOC[C@@H]1C ZINC000277410510 213506805 /nfs/dbraw/zinc/50/68/05/213506805.db2.gz JOPXCAYRUKQIMQ-WCQYABFASA-N 1 0 307.350 1.856 20 5 DDBDRO C[NH2+][C@@H]1CCCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000133779722 186011755 /nfs/dbraw/zinc/01/17/55/186011755.db2.gz YIKUJTRWTTWCAH-SNVBAGLBSA-N 1 0 311.313 1.323 20 5 DDBDRO Cc1nn(C)c(Nc2cnn(C3CC[NH+](C)CC3)c2)c1[N+](=O)[O-] ZINC000601227840 358456031 /nfs/dbraw/zinc/45/60/31/358456031.db2.gz WXQGFFASNSEDGE-UHFFFAOYSA-N 1 0 319.369 1.844 20 5 DDBDRO CCOC(=O)CC[C@H](O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000564844726 304019002 /nfs/dbraw/zinc/01/90/02/304019002.db2.gz LXAPTORLNDVNBH-FZMZJTMJSA-N 1 0 310.350 1.950 20 5 DDBDRO COCC[N@H+](C)CCCNC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000041967725 352321864 /nfs/dbraw/zinc/32/18/64/352321864.db2.gz GGKRMRLPUUUTAT-UHFFFAOYSA-N 1 0 315.395 1.663 20 5 DDBDRO O=C(COc1ccccc1[N+](=O)[O-])NCC[NH+]1CCCCC1 ZINC000046855032 352464735 /nfs/dbraw/zinc/46/47/35/352464735.db2.gz LRNWTNWEAMFLSP-UHFFFAOYSA-N 1 0 307.350 1.576 20 5 DDBDRO CN(CC(=O)N1CC[C@H]([NH+](C)C)C1)c1ccccc1[N+](=O)[O-] ZINC000173046016 198180863 /nfs/dbraw/zinc/18/08/63/198180863.db2.gz PCOLUSNFMZKKCB-LBPRGKRZSA-N 1 0 306.366 1.194 20 5 DDBDRO C[NH+](C)[C@H]1CCN(C(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000491476544 234179370 /nfs/dbraw/zinc/17/93/70/234179370.db2.gz AQHJRZZYZSIZDN-BPJJOFIESA-N 1 0 307.325 1.910 20 5 DDBDRO C[C@H]1CCC[N@H+](CCNC(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000173101625 198184383 /nfs/dbraw/zinc/18/43/83/198184383.db2.gz GUMGIIAIKXVUAB-ZDUSSCGKSA-N 1 0 305.378 1.985 20 5 DDBDRO Cc1n[nH]c(C(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000064336999 352934338 /nfs/dbraw/zinc/93/43/38/352934338.db2.gz RPDFTKVLHXIVLU-VHSXEESVSA-N 1 0 309.370 1.477 20 5 DDBDRO COC[C@@](C)(O)C[NH2+]Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000069912463 353176292 /nfs/dbraw/zinc/17/62/92/353176292.db2.gz XQMVGVJGTCYNES-AWEZNQCLSA-N 1 0 314.338 1.099 20 5 DDBDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000069528142 353165338 /nfs/dbraw/zinc/16/53/38/353165338.db2.gz MXZQHBIWKKQHDJ-AWEZNQCLSA-N 1 0 321.377 1.744 20 5 DDBDRO CCC[N@@H+]1CCCN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000074073544 353288934 /nfs/dbraw/zinc/28/89/34/353288934.db2.gz GXVMGARAJXEGIB-UHFFFAOYSA-N 1 0 321.377 1.918 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCC3(CCCC3)CC2)c1 ZINC000075765098 353379121 /nfs/dbraw/zinc/37/91/21/353379121.db2.gz JCGCXKCYJYORKT-CQSZACIVSA-N 1 0 308.382 1.808 20 5 DDBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C1 ZINC000174759666 198380716 /nfs/dbraw/zinc/38/07/16/198380716.db2.gz XHSGUMDFOJSWNV-LLVKDONJSA-N 1 0 322.365 1.499 20 5 DDBDRO COCC[N@@H+]1CCCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000080948224 353638538 /nfs/dbraw/zinc/63/85/38/353638538.db2.gz OPDGNUNFSBVAHF-UHFFFAOYSA-N 1 0 324.337 1.662 20 5 DDBDRO Cc1nc(NC2CC[NH+]([C@@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000089603553 353776469 /nfs/dbraw/zinc/77/64/69/353776469.db2.gz XMVIPFBJNPDKFN-CYBMUJFWSA-N 1 0 306.366 1.963 20 5 DDBDRO COc1cc(C[NH2+][C@@H]2CCN(C(C)=O)C2)c([N+](=O)[O-])cc1O ZINC000152934337 354195419 /nfs/dbraw/zinc/19/54/19/354195419.db2.gz CSCHJOZRMPERCD-LLVKDONJSA-N 1 0 309.322 1.019 20 5 DDBDRO C[NH+](C)CCCS(=O)(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000601297685 358485424 /nfs/dbraw/zinc/48/54/24/358485424.db2.gz BSRRLZZNYZBMTQ-UHFFFAOYSA-N 1 0 313.379 1.239 20 5 DDBDRO C[C@H]1C[C@@H]([NH3+])CCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000237537157 354344251 /nfs/dbraw/zinc/34/42/51/354344251.db2.gz DQSLDHJGNKSLBQ-YUMQZZPRSA-N 1 0 305.381 1.157 20 5 DDBDRO O=C(NCc1cccc([N+](=O)[O-])c1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000315422014 354494071 /nfs/dbraw/zinc/49/40/71/354494071.db2.gz MLHBBZJVOBKFMS-GFCCVEGCSA-N 1 0 317.267 1.753 20 5 DDBDRO Nc1cc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc(CO)c1[N+](=O)[O-] ZINC000587309779 354881931 /nfs/dbraw/zinc/88/19/31/354881931.db2.gz QUGNMBCJONQTNA-WCQYABFASA-N 1 0 306.366 1.708 20 5 DDBDRO C[NH+](C)C[C@H](CO)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000589101704 354959606 /nfs/dbraw/zinc/95/96/06/354959606.db2.gz IRZSXJHUVXYBHQ-SECBINFHSA-N 1 0 307.272 1.948 20 5 DDBDRO Cn1c(C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)ccc1[N+](=O)[O-] ZINC000495123415 235128964 /nfs/dbraw/zinc/12/89/64/235128964.db2.gz VELDELJYKJMJJZ-NEPJUHHUSA-N 1 0 306.366 1.490 20 5 DDBDRO COC(=O)c1ccnc(NCC[N@@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000590573513 355117495 /nfs/dbraw/zinc/11/74/95/355117495.db2.gz ZOGOEAPMODYPDR-LLVKDONJSA-N 1 0 322.365 1.920 20 5 DDBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000590404334 355086166 /nfs/dbraw/zinc/08/61/66/355086166.db2.gz ZDCYZYSWUCVLOX-BXUZGUMPSA-N 1 0 307.350 1.525 20 5 DDBDRO CNc1c(C(=O)N2CC[C@@H]3C[N@H+](C)C[C@H]32)cccc1[N+](=O)[O-] ZINC000590443462 355097877 /nfs/dbraw/zinc/09/78/77/355097877.db2.gz KKVUJZJVTKDJAD-ZWNOBZJWSA-N 1 0 304.350 1.413 20 5 DDBDRO COc1cc(C(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)cc([N+](=O)[O-])c1C ZINC000590776542 355176645 /nfs/dbraw/zinc/17/66/45/355176645.db2.gz WNAXXCHLRWVNTJ-SMDDNHRTSA-N 1 0 319.361 1.688 20 5 DDBDRO Cc1c(NC(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)cccc1[N+](=O)[O-] ZINC000591272495 355274767 /nfs/dbraw/zinc/27/47/67/355274767.db2.gz VWXMCAVTBQXRAR-MFKMUULPSA-N 1 0 308.338 1.483 20 5 DDBDRO [NH3+][C@@H]1CCC[C@H](CNC(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000591347925 355294324 /nfs/dbraw/zinc/29/43/24/355294324.db2.gz DZOBNLJTKUEGLP-WCQYABFASA-N 1 0 306.366 1.912 20 5 DDBDRO O=[N+]([O-])c1cc2c(ncnc2N2CC[C@@H]3CC[NH2+][C@@H]3C2)s1 ZINC000591439845 355311119 /nfs/dbraw/zinc/31/11/19/355311119.db2.gz YSRKZLGGMKLGGH-WCBMZHEXSA-N 1 0 305.363 1.788 20 5 DDBDRO O=C(CNc1ccccc1[N+](=O)[O-])NCC[NH+]1CCCCCC1 ZINC000358716972 299229554 /nfs/dbraw/zinc/22/95/54/299229554.db2.gz WWKKEESGTFHTSU-UHFFFAOYSA-N 1 0 320.393 1.999 20 5 DDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000591448163 355313957 /nfs/dbraw/zinc/31/39/57/355313957.db2.gz FUAMIHYZMWNZKP-JMSVASOKSA-N 1 0 318.377 1.606 20 5 DDBDRO CC(=O)N[C@H]1CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000591476884 355320689 /nfs/dbraw/zinc/32/06/89/355320689.db2.gz MSMQDDOOUPBNLU-ZDUSSCGKSA-N 1 0 307.350 1.574 20 5 DDBDRO Cn1ccnc1[C@@H](NCC[NH2+]C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000591577224 355329774 /nfs/dbraw/zinc/32/97/74/355329774.db2.gz CXTYFICCDQHZEN-HNNXBMFYSA-N 1 0 315.377 1.759 20 5 DDBDRO C[C@@H]1CCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@H]1C[NH3+] ZINC000591284731 355278699 /nfs/dbraw/zinc/27/86/99/355278699.db2.gz CMEHVFOSQNUROC-DGCLKSJQSA-N 1 0 321.377 1.783 20 5 DDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000591307958 355286426 /nfs/dbraw/zinc/28/64/26/355286426.db2.gz KPPUTQKYDUHJFF-IINYFYTJSA-N 1 0 322.365 1.737 20 5 DDBDRO Cc1ccc(OC[C@H](O)C[NH2+]CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000591756594 355377941 /nfs/dbraw/zinc/37/79/41/355377941.db2.gz ILERZCRLIKTEOW-CQSZACIVSA-N 1 0 320.349 1.129 20 5 DDBDRO O=C(N[C@H]1CC12CC[NH2+]CC2)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000591686025 355362204 /nfs/dbraw/zinc/36/22/04/355362204.db2.gz MCEOMPUPTGFGOR-ZDUSSCGKSA-N 1 0 319.317 1.195 20 5 DDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CCOC2(CC[NH+](C)CC2)C1 ZINC000591990516 355455433 /nfs/dbraw/zinc/45/54/33/355455433.db2.gz BPNGEUOIXMODKQ-UHFFFAOYSA-N 1 0 323.397 1.421 20 5 DDBDRO CC[C@H]1CN(C(=O)CCn2nc(C)c([N+](=O)[O-])c2C)CC[C@H]1[NH3+] ZINC000592332908 355561223 /nfs/dbraw/zinc/56/12/23/355561223.db2.gz ROLDDGQGTHANAY-QWHCGFSZSA-N 1 0 323.397 1.384 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)n1 ZINC000592255401 355547628 /nfs/dbraw/zinc/54/76/28/355547628.db2.gz KDGKJZMRALCGNM-NEPJUHHUSA-N 1 0 321.381 1.273 20 5 DDBDRO C[C@H]([NH3+])[C@@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)CCO1 ZINC000592307409 355556246 /nfs/dbraw/zinc/55/62/46/355556246.db2.gz HWTFZZLWOPYUCE-FZMZJTMJSA-N 1 0 307.350 1.102 20 5 DDBDRO COc1ccc(NC(=O)[C@@H](C)N(C)CCC[NH3+])c([N+](=O)[O-])c1 ZINC000592473840 355592959 /nfs/dbraw/zinc/59/29/59/355592959.db2.gz QKDLLDUOOQWQDM-SNVBAGLBSA-N 1 0 310.354 1.211 20 5 DDBDRO COc1cc(OCc2nc([C@H]3CCC[NH2+]3)no2)ccc1[N+](=O)[O-] ZINC000592357124 355566097 /nfs/dbraw/zinc/56/60/97/355566097.db2.gz QGZKZZFUNVIDRW-SNVBAGLBSA-N 1 0 320.305 1.990 20 5 DDBDRO C[NH2+]C1CCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000592427747 355580242 /nfs/dbraw/zinc/58/02/42/355580242.db2.gz YDBCYPRMVSHKQJ-UHFFFAOYSA-N 1 0 307.350 1.550 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000592569780 355632647 /nfs/dbraw/zinc/63/26/47/355632647.db2.gz CYPRZXFYSKMFRJ-CQSZACIVSA-N 1 0 319.361 1.765 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@H](CO)[C@H]2C)c1 ZINC000593036806 355776559 /nfs/dbraw/zinc/77/65/59/355776559.db2.gz UMKDYIOVSVHPBY-DGCLKSJQSA-N 1 0 322.361 1.974 20 5 DDBDRO CC[N@@H+]1CC[C@H](CNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000593414965 355878372 /nfs/dbraw/zinc/87/83/72/355878372.db2.gz HLEDRYYSONNNKN-LLVKDONJSA-N 1 0 309.341 1.734 20 5 DDBDRO C[N@@H+]1CCN(c2ncc([N+](=O)[O-])cn2)[C@@H](Cc2ccccc2)C1 ZINC000593505593 355906614 /nfs/dbraw/zinc/90/66/14/355906614.db2.gz YAKPZRUQYDEXLS-AWEZNQCLSA-N 1 0 313.361 1.748 20 5 DDBDRO C[C@@H]1[C@H](C)N(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000593578990 355932740 /nfs/dbraw/zinc/93/27/40/355932740.db2.gz RQBUIIFUODOSOX-MNOVXSKESA-N 1 0 309.341 1.827 20 5 DDBDRO O=C(Cc1ccc(F)cc1[N+](=O)[O-])N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000593420862 355880569 /nfs/dbraw/zinc/88/05/69/355880569.db2.gz IJLAUQFQUWZODC-LBPRGKRZSA-N 1 0 307.325 1.629 20 5 DDBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000593903774 356050774 /nfs/dbraw/zinc/05/07/74/356050774.db2.gz NKBPVTOIBWMHEA-HUUCEWRRSA-N 1 0 319.361 1.620 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000594026163 356093097 /nfs/dbraw/zinc/09/30/97/356093097.db2.gz DWROADFVBNQBCV-OAHLLOKOSA-N 1 0 321.377 1.790 20 5 DDBDRO C[C@H](C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)[NH+]1CC(C)C1 ZINC000594337498 356175817 /nfs/dbraw/zinc/17/58/17/356175817.db2.gz WHYZASBFLFJIID-GFCCVEGCSA-N 1 0 303.362 1.820 20 5 DDBDRO C[NH+](C)CCCn1cc(COc2ccccc2[N+](=O)[O-])nn1 ZINC000594644864 356271366 /nfs/dbraw/zinc/27/13/66/356271366.db2.gz WUXVCXQSJSXNHA-UHFFFAOYSA-N 1 0 305.338 1.717 20 5 DDBDRO COc1cc(C[NH2+]C[C@H](CO)CC2CC2)c([N+](=O)[O-])cc1O ZINC000594981916 356367858 /nfs/dbraw/zinc/36/78/58/356367858.db2.gz CDKOWWNWGAVYBL-LLVKDONJSA-N 1 0 310.350 1.807 20 5 DDBDRO COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000594921133 356354827 /nfs/dbraw/zinc/35/48/27/356354827.db2.gz BURXXYZZIIOFKF-LEWSCRJBSA-N 1 0 308.334 1.761 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCCn1cncn1 ZINC000595022014 356373900 /nfs/dbraw/zinc/37/39/00/356373900.db2.gz GHQWLWWECYKCCI-LLVKDONJSA-N 1 0 305.338 1.936 20 5 DDBDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3onc(C)c3[N+](=O)[O-])[C@H]2C1 ZINC000595489274 356514227 /nfs/dbraw/zinc/51/42/27/356514227.db2.gz LQCWKDHTAMQVLL-AVGNSLFASA-N 1 0 322.365 1.628 20 5 DDBDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3onc(C)c3[N+](=O)[O-])[C@@H]2C1 ZINC000595489276 356514581 /nfs/dbraw/zinc/51/45/81/356514581.db2.gz LQCWKDHTAMQVLL-XQQFMLRXSA-N 1 0 322.365 1.628 20 5 DDBDRO C[C@@H]1C[N@H+](CCCNC(=O)c2ccc([N+](=O)[O-])n2C)CCCO1 ZINC000347094712 283176100 /nfs/dbraw/zinc/17/61/00/283176100.db2.gz DZNWNCIHDJSWHG-GFCCVEGCSA-N 1 0 324.381 1.164 20 5 DDBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000595607890 356574397 /nfs/dbraw/zinc/57/43/97/356574397.db2.gz LKGUGIQROIRKRL-NSHDSACASA-N 1 0 305.313 1.848 20 5 DDBDRO COC(=O)[C@@H]1OCC[C@@H]1[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000595669935 356602727 /nfs/dbraw/zinc/60/27/27/356602727.db2.gz QSCKLFLVBJFODH-GXFFZTMASA-N 1 0 310.306 1.024 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1C[C@H](O)C12CCC2 ZINC000595785092 356651489 /nfs/dbraw/zinc/65/14/89/356651489.db2.gz XABUPIMNPGTMLF-DFBGVHRSSA-N 1 0 322.361 1.228 20 5 DDBDRO C[NH2+]CCNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000237094119 202152155 /nfs/dbraw/zinc/15/21/55/202152155.db2.gz JNSPUKOQPSTEBY-UHFFFAOYSA-N 1 0 321.255 1.485 20 5 DDBDRO Cc1c(CN2CCC([N@@H+]3CC[C@H](O)C3)CC2)cccc1[N+](=O)[O-] ZINC000595864500 356682797 /nfs/dbraw/zinc/68/27/97/356682797.db2.gz BGIJJSGBNMBVMT-INIZCTEOSA-N 1 0 319.405 1.934 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC2CC1(C[NH3+])C2 ZINC000595911726 356702398 /nfs/dbraw/zinc/70/23/98/356702398.db2.gz WGNLMTPZUMZWBE-UHFFFAOYSA-N 1 0 318.377 1.655 20 5 DDBDRO CC(C)[C@H]([NH3+])CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000595950816 356719915 /nfs/dbraw/zinc/71/99/15/356719915.db2.gz NCKYUGGEGPINMZ-LLVKDONJSA-N 1 0 323.349 1.469 20 5 DDBDRO C[NH2+]C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000595981556 356734556 /nfs/dbraw/zinc/73/45/56/356734556.db2.gz FGIXJYUPVDBQCK-ZETCQYMHSA-N 1 0 316.155 1.695 20 5 DDBDRO Cc1cc(C)c(S(=O)(=O)N[C@]2(C)CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000596052773 356754294 /nfs/dbraw/zinc/75/42/94/356754294.db2.gz YFWYKNSPCMXGHB-CYBMUJFWSA-N 1 0 313.379 1.242 20 5 DDBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCOC3(C[NH2+]C3)C2)c1 ZINC000596097219 356770695 /nfs/dbraw/zinc/77/06/95/356770695.db2.gz GGMAYDCGOSNPSG-UHFFFAOYSA-N 1 0 323.374 1.131 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CCOC2(C[NH2+]C2)C1 ZINC000596104452 356773005 /nfs/dbraw/zinc/77/30/05/356773005.db2.gz FCVWTYHHXOTXNU-UHFFFAOYSA-N 1 0 307.350 1.168 20 5 DDBDRO CC(C)c1ccc(C(=O)N2CCOC3(C[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000596106130 356773781 /nfs/dbraw/zinc/77/37/81/356773781.db2.gz PPZFKKZCJJJBHB-UHFFFAOYSA-N 1 0 319.361 1.533 20 5 DDBDRO CC[NH+](CC)C[C@@H]1CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596142707 356789866 /nfs/dbraw/zinc/78/98/66/356789866.db2.gz SNAMAXGDZWLRSP-LBPRGKRZSA-N 1 0 320.393 1.862 20 5 DDBDRO Cc1nc(N2CCC(CO)([NH2+]C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000596251695 356833214 /nfs/dbraw/zinc/83/32/14/356833214.db2.gz WSHBFQWWVAIRHB-UHFFFAOYSA-N 1 0 308.382 1.628 20 5 DDBDRO CS[C@H]1CN(c2cc[nH]c(=O)c2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000596197169 356810087 /nfs/dbraw/zinc/81/00/87/356810087.db2.gz VXUCXRORVLUSID-RYUDHWBXSA-N 1 0 324.406 1.711 20 5 DDBDRO CC[NH+](CC)CC[C@H](CO)Nc1c(Cl)cncc1[N+](=O)[O-] ZINC000596219864 356820001 /nfs/dbraw/zinc/82/00/01/356820001.db2.gz XUSPYJIQNYUCGD-SNVBAGLBSA-N 1 0 316.789 1.570 20 5 DDBDRO COc1cc(NCCN(C)CCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000596424661 356875083 /nfs/dbraw/zinc/87/50/83/356875083.db2.gz JNBODRYJALTJIT-UHFFFAOYSA-N 1 0 310.398 1.899 20 5 DDBDRO CCOc1cc(C[NH2+]C2(CO)CCOCC2)ccc1[N+](=O)[O-] ZINC000276908594 213168395 /nfs/dbraw/zinc/16/83/95/213168395.db2.gz MVUNFSTVHYMYJR-UHFFFAOYSA-N 1 0 310.350 1.625 20 5 DDBDRO CCOC(=O)c1cc(N(C)CC2C[NH+](C)C2)ccc1[N+](=O)[O-] ZINC000596454800 356884396 /nfs/dbraw/zinc/88/43/96/356884396.db2.gz UYGBNOFQGKYBDM-UHFFFAOYSA-N 1 0 307.350 1.769 20 5 DDBDRO O=C(NCC1CC[NH+](CC2CC2)CC1)c1cc([N+](=O)[O-])c[nH]1 ZINC000596496601 356897827 /nfs/dbraw/zinc/89/78/27/356897827.db2.gz LGKKVFXIZYPYNW-UHFFFAOYSA-N 1 0 306.366 1.775 20 5 DDBDRO CCC[N@@H+]1CC[C@H](Nc2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])C1 ZINC000596516253 356903167 /nfs/dbraw/zinc/90/31/67/356903167.db2.gz DEVOUTZVPPXMLU-NSHDSACASA-N 1 0 322.365 1.981 20 5 DDBDRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000597534298 357213321 /nfs/dbraw/zinc/21/33/21/357213321.db2.gz VMJHUELEKYZKCY-CHWSQXEVSA-N 1 0 321.377 1.963 20 5 DDBDRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CCn1cc([N+](=O)[O-])cn1)C2 ZINC000597714278 357299080 /nfs/dbraw/zinc/29/90/80/357299080.db2.gz HYYWNJNVSCZKMO-HNNXBMFYSA-N 1 0 321.381 1.126 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000597859331 357361644 /nfs/dbraw/zinc/36/16/44/357361644.db2.gz UOYDIHCPVZBIJL-NSHDSACASA-N 1 0 309.370 1.089 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000597923777 357383736 /nfs/dbraw/zinc/38/37/36/357383736.db2.gz POQMNVMFRCGDEP-LLVKDONJSA-N 1 0 309.370 1.089 20 5 DDBDRO C[C@H](CCNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[NH+](C)C ZINC000597999828 357415920 /nfs/dbraw/zinc/41/59/20/357415920.db2.gz SFYGGBYLWJESHZ-SECBINFHSA-N 1 0 305.338 1.541 20 5 DDBDRO COC(=O)c1ccnc(N2CCC([NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000598585797 357640966 /nfs/dbraw/zinc/64/09/66/357640966.db2.gz AGVGZZFCQNGKHQ-UHFFFAOYSA-N 1 0 308.338 1.307 20 5 DDBDRO Nc1c(C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)cc(F)cc1[N+](=O)[O-] ZINC000598668057 357678213 /nfs/dbraw/zinc/67/82/13/357678213.db2.gz OOYCRTMGTOPSOU-RMLUDKJBSA-N 1 0 308.313 1.270 20 5 DDBDRO C[C@H]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H]1CO ZINC000598648476 357669264 /nfs/dbraw/zinc/66/92/64/357669264.db2.gz RYJWXIMRZIMVHH-WDEREUQCSA-N 1 0 304.350 1.921 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CC(Cc3ccsc3)C2)c1 ZINC000598706310 357697321 /nfs/dbraw/zinc/69/73/21/357697321.db2.gz QEKRRNYRPYJKIW-AWEZNQCLSA-N 1 0 322.390 1.388 20 5 DDBDRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598915474 357757589 /nfs/dbraw/zinc/75/75/89/357757589.db2.gz MMRNBTGGDTUHCN-MFKMUULPSA-N 1 0 320.349 1.262 20 5 DDBDRO NC(=O)[C@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000599071458 357807304 /nfs/dbraw/zinc/80/73/04/357807304.db2.gz VOIGFRWNSKYNMR-KKOKHZNYSA-N 1 0 307.354 1.129 20 5 DDBDRO CN1CCOC[C@@H]1C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000599076772 357808401 /nfs/dbraw/zinc/80/84/01/357808401.db2.gz GBEPAPUMBMAZCN-BFHYXJOUSA-N 1 0 323.397 1.195 20 5 DDBDRO Cn1ccnc1[C@H](NCC1COC1)c1cccc([N+](=O)[O-])c1 ZINC000599079326 357808875 /nfs/dbraw/zinc/80/88/75/357808875.db2.gz DPHGMXADXIUISU-CQSZACIVSA-N 1 0 302.334 1.654 20 5 DDBDRO CCN(CC[NH3+])S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000599098476 357815257 /nfs/dbraw/zinc/81/52/57/357815257.db2.gz KIKNYKJDOFILIJ-UHFFFAOYSA-N 1 0 301.368 1.181 20 5 DDBDRO C[C@@H]1C[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H](C)C1(F)F ZINC000599512292 357960778 /nfs/dbraw/zinc/96/07/78/357960778.db2.gz HVGFEBSTIIXEKL-CKYFFXLPSA-N 1 0 318.324 1.375 20 5 DDBDRO COC(=O)[C@]1(OC)CC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000599568171 357976903 /nfs/dbraw/zinc/97/69/03/357976903.db2.gz QVEWEMFEVDZEMP-NHYWBVRUSA-N 1 0 308.334 1.920 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCc3nc(C4CC4)ncc3C2)n1 ZINC000599619786 357994571 /nfs/dbraw/zinc/99/45/71/357994571.db2.gz OYZFHLRJRXJIHK-UHFFFAOYSA-N 1 0 314.349 1.517 20 5 DDBDRO C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000599646023 358006135 /nfs/dbraw/zinc/00/61/35/358006135.db2.gz YLNVMGUSVQAYDR-BJHJDKERSA-N 1 0 307.350 1.559 20 5 DDBDRO C[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C[C@H]1C[C@@H](O)C1 ZINC000599656517 358010885 /nfs/dbraw/zinc/01/08/85/358010885.db2.gz WVKJTTZAQPJSNC-FRRDWIJNSA-N 1 0 310.350 1.037 20 5 DDBDRO Cc1c(NC(=O)NCC[N@@H+]2CC[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC000599701486 358032352 /nfs/dbraw/zinc/03/23/52/358032352.db2.gz IZSQLHGKCQSNQV-LLVKDONJSA-N 1 0 308.338 1.091 20 5 DDBDRO CCN(C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000599985605 358096866 /nfs/dbraw/zinc/09/68/66/358096866.db2.gz HPWNQLMOFIGSFP-UHFFFAOYSA-N 1 0 308.338 1.252 20 5 DDBDRO COc1cc(C(=O)NCC(C)(C)[NH+](C)C)cc([N+](=O)[O-])c1C ZINC000276670800 213037269 /nfs/dbraw/zinc/03/72/69/213037269.db2.gz JDBGVHFZMFBXNJ-UHFFFAOYSA-N 1 0 309.366 1.982 20 5 DDBDRO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000180531162 199171999 /nfs/dbraw/zinc/17/19/99/199171999.db2.gz KYMQVRDPRBGTDJ-JTQLQIEISA-N 1 0 307.354 1.176 20 5 DDBDRO CC(C)(CNc1ncc([N+](=O)[O-])cc1C(N)=O)C[NH+]1CCCC1 ZINC000276652692 213023452 /nfs/dbraw/zinc/02/34/52/213023452.db2.gz DCXDZJJQGLJQBU-UHFFFAOYSA-N 1 0 321.381 1.623 20 5 DDBDRO CC(C)[NH+]1CCC(NC(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000180603848 199183189 /nfs/dbraw/zinc/18/31/89/199183189.db2.gz UKNXBVPFTYDYBC-UHFFFAOYSA-N 1 0 306.366 1.780 20 5 DDBDRO C[NH2+]CCOCCN(C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000600729084 358298768 /nfs/dbraw/zinc/29/87/68/358298768.db2.gz DDQACZJCRZLHRA-GFCCVEGCSA-N 1 0 324.381 1.090 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CC[C@@H]2CCCOC2)c1 ZINC000600747587 358305905 /nfs/dbraw/zinc/30/59/05/358305905.db2.gz YZUVRSSTMOQUOS-ZFWWWQNUSA-N 1 0 324.377 1.741 20 5 DDBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000601422099 358544975 /nfs/dbraw/zinc/54/49/75/358544975.db2.gz PJAIUCMEJCSJTK-IUCAKERBSA-N 1 0 319.408 1.369 20 5 DDBDRO Cc1cc(S(=O)(=O)NC(C)(C)C[NH+](C)C)c([N+](=O)[O-])s1 ZINC000601434671 358551585 /nfs/dbraw/zinc/55/15/85/358551585.db2.gz JPHDTUYRWRWJFT-UHFFFAOYSA-N 1 0 321.424 1.583 20 5 DDBDRO CC1([NH+]2CCCC2)CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000601738075 358672373 /nfs/dbraw/zinc/67/23/73/358672373.db2.gz ISEUFZLCFMLTKE-UHFFFAOYSA-N 1 0 307.354 1.408 20 5 DDBDRO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)Cc1cccc([N+](=O)[O-])c1)C2 ZINC000601976158 358761886 /nfs/dbraw/zinc/76/18/86/358761886.db2.gz NVPFWCCKZDEPRM-IYBDPMFKSA-N 1 0 303.362 1.595 20 5 DDBDRO C[C@@H]1CC[C@H](NC(=O)CSc2ccc([N+](=O)[O-])cc2)C[NH2+]1 ZINC000602551740 359041527 /nfs/dbraw/zinc/04/15/27/359041527.db2.gz DSLRCRHZVLTDBP-MNOVXSKESA-N 1 0 309.391 1.944 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@H]1COCC[NH2+]1 ZINC000602552485 359041787 /nfs/dbraw/zinc/04/17/87/359041787.db2.gz SQVIGRNKGNCZIV-LBPRGKRZSA-N 1 0 307.350 1.238 20 5 DDBDRO CCOc1ccc(C(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)cc1[N+](=O)[O-] ZINC000602555973 359043225 /nfs/dbraw/zinc/04/32/25/359043225.db2.gz SCINJNJFWPCFTJ-PWSUYJOCSA-N 1 0 307.350 1.864 20 5 DDBDRO C[NH2+]CCOCCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000602564167 359046497 /nfs/dbraw/zinc/04/64/97/359046497.db2.gz MXQKVMBUSKCRDR-UHFFFAOYSA-N 1 0 301.730 1.214 20 5 DDBDRO COCCOC[C@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602563353 359046779 /nfs/dbraw/zinc/04/67/79/359046779.db2.gz BKZRNPNIMKTQKT-JTQLQIEISA-N 1 0 309.322 1.877 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000602775665 359182323 /nfs/dbraw/zinc/18/23/23/359182323.db2.gz MAFJAVFFTSAAQN-GXSJLCMTSA-N 1 0 322.287 1.487 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C[NH+]1C[C@@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000602724368 359150713 /nfs/dbraw/zinc/15/07/13/359150713.db2.gz KGKVDOUGHSENHS-HOTGVXAUSA-N 1 0 317.345 1.388 20 5 DDBDRO COCCO[C@H]1CCC[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602795267 359197839 /nfs/dbraw/zinc/19/78/39/359197839.db2.gz ADBXHDQYXPLJGD-ZDUSSCGKSA-N 1 0 312.370 1.227 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC([C@@H]2CCOC2)CC1 ZINC000602805268 359202664 /nfs/dbraw/zinc/20/26/64/359202664.db2.gz NTWKBAHDJHMCEA-CQSZACIVSA-N 1 0 308.382 1.848 20 5 DDBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1C[C@]2(C)C(=O)NC(=O)[C@@]2(C)C1 ZINC000602938987 359307870 /nfs/dbraw/zinc/30/78/70/359307870.db2.gz ZSBZFHCTLPYWRT-UHNFBRDESA-N 1 0 317.345 1.640 20 5 DDBDRO [NH3+]CC1(CC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000422924488 283424657 /nfs/dbraw/zinc/42/46/57/283424657.db2.gz YOSQMLQOLLAWBP-UHFFFAOYSA-N 1 0 318.377 1.372 20 5 DDBDRO C[C@@](CO)([NH2+]C[C@@H](O)CC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000602963452 359326637 /nfs/dbraw/zinc/32/66/37/359326637.db2.gz VTUMVNLTHRAUEQ-RYUDHWBXSA-N 1 0 322.283 1.705 20 5 DDBDRO C[C@H](c1ccccc1[N+](=O)[O-])n1cc(C[C@@H]2CC[NH2+]C2)nn1 ZINC000603218306 359489434 /nfs/dbraw/zinc/48/94/34/359489434.db2.gz KZAYDZXDAVMQGN-NEPJUHHUSA-N 1 0 301.350 1.948 20 5 DDBDRO C[C@@H](c1ccccc1[N+](=O)[O-])n1cc(C[C@@H]2CC[NH2+]C2)nn1 ZINC000603218310 359489440 /nfs/dbraw/zinc/48/94/40/359489440.db2.gz KZAYDZXDAVMQGN-RYUDHWBXSA-N 1 0 301.350 1.948 20 5 DDBDRO CC(C)[NH+]1CCC(NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000186807730 200014697 /nfs/dbraw/zinc/01/46/97/200014697.db2.gz WUISMPRLXOZARY-UHFFFAOYSA-N 1 0 308.338 1.298 20 5 DDBDRO CC1(CO)CC[NH+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000186896751 200028646 /nfs/dbraw/zinc/02/86/46/200028646.db2.gz NZTLZNJZBWDKRC-CYBMUJFWSA-N 1 0 324.377 1.429 20 5 DDBDRO CC1CC[NH+](CCNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000186935684 200034110 /nfs/dbraw/zinc/03/41/10/200034110.db2.gz HRSHGXGMOUMMLC-UHFFFAOYSA-N 1 0 308.338 1.157 20 5 DDBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)[C@@H](C)C[NH3+] ZINC000237438573 202265481 /nfs/dbraw/zinc/26/54/81/202265481.db2.gz DUKIEDZAIVQRBJ-DTWKUNHWSA-N 1 0 315.757 1.821 20 5 DDBDRO Cc1cc(F)cc(C(=O)NCCCN2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC000237658148 202319799 /nfs/dbraw/zinc/31/97/99/202319799.db2.gz PFXBGMMXUCCGJP-UHFFFAOYSA-N 1 0 324.356 1.067 20 5 DDBDRO [NH3+]C1(CNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CCCCC1 ZINC000237768805 202351391 /nfs/dbraw/zinc/35/13/91/202351391.db2.gz WDRYIVADKHJLJA-UHFFFAOYSA-N 1 0 317.349 1.863 20 5 DDBDRO Nc1c(C(=O)N2CCC([NH2+]CC3CC3)CC2)cccc1[N+](=O)[O-] ZINC000237876568 202377237 /nfs/dbraw/zinc/37/72/37/202377237.db2.gz SCGBMIMYTFXMOT-UHFFFAOYSA-N 1 0 318.377 1.781 20 5 DDBDRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000237915980 202390401 /nfs/dbraw/zinc/39/04/01/202390401.db2.gz JMDNTGCSAVTJCD-NWDGAFQWSA-N 1 0 307.350 1.607 20 5 DDBDRO O=C(C[NH+]1CCCC1)N1CCN(c2ccc([N+](=O)[O-])s2)CC1 ZINC000609132844 360262826 /nfs/dbraw/zinc/26/28/26/360262826.db2.gz QYYWDNMCYSROPO-UHFFFAOYSA-N 1 0 324.406 1.401 20 5 DDBDRO COCC[N@@H+]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000609269711 360285943 /nfs/dbraw/zinc/28/59/43/360285943.db2.gz VXNSBHDCOFPKOV-CYBMUJFWSA-N 1 0 321.377 1.744 20 5 DDBDRO CC(C)(C)C[N@H+](CCO)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000609483487 360312411 /nfs/dbraw/zinc/31/24/11/360312411.db2.gz MSXYCXSIPQLRBI-UHFFFAOYSA-N 1 0 309.366 1.874 20 5 DDBDRO C[C@H]1CC[N@H+](C)CCN1C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000609584787 360328936 /nfs/dbraw/zinc/32/89/36/360328936.db2.gz IWBWVYPYXQCXTN-JTQLQIEISA-N 1 0 321.333 1.490 20 5 DDBDRO COc1ccc(CC(=O)N2CC[N@H+](C)CC[C@H]2C)cc1[N+](=O)[O-] ZINC000609584781 360329190 /nfs/dbraw/zinc/32/91/90/360329190.db2.gz ITLHELYXWFRKQB-GFCCVEGCSA-N 1 0 321.377 1.699 20 5 DDBDRO CC(C)(CO)[NH+]1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000610481261 360446838 /nfs/dbraw/zinc/44/68/38/360446838.db2.gz VQTFOHALVHZPPD-UHFFFAOYSA-N 1 0 323.393 1.362 20 5 DDBDRO COCC(=O)NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000612577300 361071990 /nfs/dbraw/zinc/07/19/90/361071990.db2.gz UUHSMYFJBOWRFA-UHFFFAOYSA-N 1 0 321.377 1.630 20 5 DDBDRO C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)[C@@]1(CO)CCOC1 ZINC000613130200 361282686 /nfs/dbraw/zinc/28/26/86/361282686.db2.gz ABAPDAZDUQURPR-OAHLLOKOSA-N 1 0 310.350 1.447 20 5 DDBDRO CC(C)([NH3+])CNS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000193295272 201022902 /nfs/dbraw/zinc/02/29/02/201022902.db2.gz PRFVMSWFYSBTKL-UHFFFAOYSA-N 1 0 324.362 1.159 20 5 DDBDRO Cc1ccc(C)c(S(=O)(=O)NC[C@@H]([NH3+])C2CC2)c1[N+](=O)[O-] ZINC000193315133 201028573 /nfs/dbraw/zinc/02/85/73/201028573.db2.gz YKMCDWMKHCHZSV-LLVKDONJSA-N 1 0 313.379 1.227 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000193402775 201046661 /nfs/dbraw/zinc/04/66/61/201046661.db2.gz ZWLDBYANHAIXGZ-SKDRFNHKSA-N 1 0 313.379 1.180 20 5 DDBDRO Cc1c(C(=O)N[C@H]2CCC[NH2+][C@@H]2C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000193615126 201088508 /nfs/dbraw/zinc/08/85/08/201088508.db2.gz UDLLNKVEGCOQTI-SKDRFNHKSA-N 1 0 322.321 1.682 20 5 DDBDRO CCn1nc(C)c([N+](=O)[O-])c1NCC[NH+]1CCC(OC)CC1 ZINC000619484747 364030977 /nfs/dbraw/zinc/03/09/77/364030977.db2.gz ZBQRYKGOARRJFH-UHFFFAOYSA-N 1 0 311.386 1.642 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NCC12CCC[NH+]1CCC2 ZINC000619573895 364066482 /nfs/dbraw/zinc/06/64/82/364066482.db2.gz BYWLBRJYYZXVIL-UHFFFAOYSA-N 1 0 304.350 1.656 20 5 DDBDRO [NH3+][C@@H]1CCc2ncc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2C1 ZINC000349061145 283826685 /nfs/dbraw/zinc/82/66/85/283826685.db2.gz XFVNAQYOKICKDR-SECBINFHSA-N 1 0 302.290 1.651 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCCC[NH+](C)C)c1C ZINC000293032198 223361738 /nfs/dbraw/zinc/36/17/38/223361738.db2.gz PNVYNPBYAOTFGA-UHFFFAOYSA-N 1 0 315.395 1.442 20 5 DDBDRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000275109358 212125782 /nfs/dbraw/zinc/12/57/82/212125782.db2.gz FSUBJSPSFSLVOE-SKDRFNHKSA-N 1 0 311.313 1.227 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000261876711 203141552 /nfs/dbraw/zinc/14/15/52/203141552.db2.gz LZONNFAPFKWIDJ-CQSZACIVSA-N 1 0 318.377 1.023 20 5 DDBDRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000262755514 203399593 /nfs/dbraw/zinc/39/95/93/203399593.db2.gz KGLLJZBUEJZSQQ-GWCFXTLKSA-N 1 0 318.377 1.897 20 5 DDBDRO CCCc1n[nH]c(C(=O)NCC[N@@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000264685207 204077713 /nfs/dbraw/zinc/07/77/13/204077713.db2.gz QVVLADVPPRKYIQ-NSHDSACASA-N 1 0 323.397 1.732 20 5 DDBDRO CN1CC[N@H+](C)C[C@@H]1CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000264781575 204150565 /nfs/dbraw/zinc/15/05/65/204150565.db2.gz QVFLFHLOONIBEF-NSHDSACASA-N 1 0 309.326 1.161 20 5 DDBDRO C[C@@H]([NH2+][C@@H](C)Cn1cccn1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000264846011 204205076 /nfs/dbraw/zinc/20/50/76/204205076.db2.gz IDEXSSPUABKGQA-NWDGAFQWSA-N 1 0 317.349 1.797 20 5 DDBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000271721725 209156854 /nfs/dbraw/zinc/15/68/54/209156854.db2.gz WTRYTOLNWRZXNM-DOMZBBRYSA-N 1 0 304.350 1.811 20 5 DDBDRO COc1cc(C(=O)N2CC[C@@H]([NH+](C)C)C2)cc([N+](=O)[O-])c1OC ZINC000265960780 205000090 /nfs/dbraw/zinc/00/00/90/205000090.db2.gz QHDBBTJLIUNHHB-LLVKDONJSA-N 1 0 323.349 1.388 20 5 DDBDRO CC[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000271689751 209127531 /nfs/dbraw/zinc/12/75/31/209127531.db2.gz QNXNVEZKIPDSLA-GJZGRUSLSA-N 1 0 304.350 1.893 20 5 DDBDRO C[C@@H](O)C[C@H](C)C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000566620694 304172022 /nfs/dbraw/zinc/17/20/22/304172022.db2.gz QJXQCAIHDKQBKU-NWDGAFQWSA-N 1 0 309.366 1.920 20 5 DDBDRO CCOC(=O)[C@](C)(O)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000274671091 211814401 /nfs/dbraw/zinc/81/44/01/211814401.db2.gz SMIZFFYUXRXEKP-XHDPSFHLSA-N 1 0 310.350 1.868 20 5 DDBDRO COC[C@@](C)([NH3+])CNc1ncc([N+](=O)[O-])cc1Br ZINC000267262121 205932180 /nfs/dbraw/zinc/93/21/80/205932180.db2.gz QGYOOSMZYMJDPN-JTQLQIEISA-N 1 0 319.159 1.528 20 5 DDBDRO COc1ccc(OCC[N@@H+]2CCCC[C@H]2CO)c([N+](=O)[O-])c1 ZINC000173527739 248342026 /nfs/dbraw/zinc/34/20/26/248342026.db2.gz RUVOMUIPMDZAMS-LBPRGKRZSA-N 1 0 310.350 1.829 20 5 DDBDRO COc1cc(C(=O)N2CCC[C@H]2C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000268183349 206526367 /nfs/dbraw/zinc/52/63/67/206526367.db2.gz RJAKIXCNOSOMDH-LBPRGKRZSA-N 1 0 307.350 1.770 20 5 DDBDRO CCOC(=O)[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000274126854 211379183 /nfs/dbraw/zinc/37/91/83/211379183.db2.gz XXDLSIWWDLNVKV-VHSXEESVSA-N 1 0 323.349 1.371 20 5 DDBDRO C[N@@H+]1CC[C@@H]2OCCN(CCOc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000284481185 218044835 /nfs/dbraw/zinc/04/48/35/218044835.db2.gz AWCVUDAWKDAUMK-HOCLYGCPSA-N 1 0 321.377 1.379 20 5 DDBDRO COC(=O)c1cn(CC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)nn1 ZINC000284516781 218061084 /nfs/dbraw/zinc/06/10/84/218061084.db2.gz YVOYIPLYEMAQHW-SNVBAGLBSA-N 1 0 319.321 1.324 20 5 DDBDRO C[C@H](CNc1ncc([N+](=O)[O-])cc1C(N)=O)[N@@H+]1CCCC[C@@H]1C ZINC000339003577 250242737 /nfs/dbraw/zinc/24/27/37/250242737.db2.gz OCJKYRYAEGHHQS-WDEREUQCSA-N 1 0 321.381 1.764 20 5 DDBDRO CC(C)N1C[C@H]([NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1=O ZINC000285057025 218272907 /nfs/dbraw/zinc/27/29/07/218272907.db2.gz IRPGCLITZKDWPO-ZYHUDNBSSA-N 1 0 306.366 1.837 20 5 DDBDRO O=C(NCCC[NH+]1CCCC1)NCCc1cccc([N+](=O)[O-])c1 ZINC000340182347 250917392 /nfs/dbraw/zinc/91/73/92/250917392.db2.gz WJIIQFKVLNYQCZ-UHFFFAOYSA-N 1 0 320.393 1.922 20 5 DDBDRO C[C@@H](C[C@@H]1COCCN1)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000567648395 304231963 /nfs/dbraw/zinc/23/19/63/304231963.db2.gz LEOQPGVDCADQEK-QWHCGFSZSA-N 1 0 309.366 1.330 20 5 DDBDRO C[NH2+][C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C1 ZINC000269103804 207243157 /nfs/dbraw/zinc/24/31/57/207243157.db2.gz ATHVAUIFSOQRCP-LBPRGKRZSA-N 1 0 318.377 1.629 20 5 DDBDRO C[NH2+][C@@H]1CCN([C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000430607477 532972625 /nfs/dbraw/zinc/97/26/25/532972625.db2.gz YZDIHVHKTKGCAB-GHMZBOCLSA-N 1 0 322.365 1.224 20 5 DDBDRO COCC[N@@H+]1CC[C@@H](NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000491564791 532973195 /nfs/dbraw/zinc/97/31/95/532973195.db2.gz ZAIKOVMKVHMVPY-VBROQKIQSA-N 1 0 319.361 1.445 20 5 DDBDRO CCc1ccc(S(=O)(=O)N(C)[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000567851167 304247705 /nfs/dbraw/zinc/24/77/05/304247705.db2.gz XNFQQBMWKOUIPT-LLVKDONJSA-N 1 0 313.379 1.140 20 5 DDBDRO O=C(C[N@H+](CCO)CC1CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000352463863 285068274 /nfs/dbraw/zinc/06/82/74/285068274.db2.gz LJVIXXISHVUCFP-UHFFFAOYSA-N 1 0 319.361 1.188 20 5 DDBDRO C[NH+]1CCC([C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)CC1 ZINC000270057667 208113927 /nfs/dbraw/zinc/11/39/27/208113927.db2.gz DMNCNOGMQYWNGP-LBPRGKRZSA-N 1 0 306.366 1.727 20 5 DDBDRO O=[N+]([O-])c1c(N2CC[C@H]([NH+]3CCCC3)C2)nc2sccn21 ZINC000301145605 285077578 /nfs/dbraw/zinc/07/75/78/285077578.db2.gz JIXPQSGIRKAAOC-JTQLQIEISA-N 1 0 307.379 1.979 20 5 DDBDRO COc1ccc(CC(=O)N[C@@H]2C[NH2+]CC[C@H]2C)cc1[N+](=O)[O-] ZINC000567890967 304252668 /nfs/dbraw/zinc/25/26/68/304252668.db2.gz PNBSHTYLGMLYJE-ZYHUDNBSSA-N 1 0 307.350 1.260 20 5 DDBDRO O=[N+]([O-])c1ccc(-c2noc(N3CC[C@H]4C[NH2+]C[C@H]4C3)n2)cc1 ZINC000420260368 285106863 /nfs/dbraw/zinc/10/68/63/285106863.db2.gz NPLSVZPCOYWNMG-RYUDHWBXSA-N 1 0 315.333 1.691 20 5 DDBDRO C[C@@H]1CSC[C@H]1[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000352813298 285317626 /nfs/dbraw/zinc/31/76/26/285317626.db2.gz AVQIKMUWDLTGJZ-ZWNOBZJWSA-N 1 0 309.391 1.899 20 5 DDBDRO COCCn1cc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])cn1 ZINC000289879420 221289519 /nfs/dbraw/zinc/28/95/19/221289519.db2.gz RZKRXEUQLBKCDO-UHFFFAOYSA-N 1 0 319.365 1.403 20 5 DDBDRO O=C(NCC1C[NH2+]C1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000415448537 224594782 /nfs/dbraw/zinc/59/47/82/224594782.db2.gz VCKLDBYJULWMGR-UHFFFAOYSA-N 1 0 318.255 1.955 20 5 DDBDRO C[N@@H+]1CCCC[C@H](C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001120507878 781991978 /nfs/dbraw/zinc/99/19/78/781991978.db2.gz MCCBQCXNOWAOSR-CJNGLKHVSA-N 1 0 307.394 1.950 20 5 DDBDRO C[N@@H+]1CCCC[C@H](C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001120507880 781992216 /nfs/dbraw/zinc/99/22/16/781992216.db2.gz MCCBQCXNOWAOSR-CZUORRHYSA-N 1 0 307.394 1.950 20 5 DDBDRO COc1cc(C(=O)NC[C@@H]2CCC[NH2+]C2)cc([N+](=O)[O-])c1C ZINC000422765263 533538773 /nfs/dbraw/zinc/53/87/73/533538773.db2.gz QROLBEJUTCLCOV-LLVKDONJSA-N 1 0 307.350 1.641 20 5 DDBDRO C[C@H]1CCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)[C@@H](C[NH3+])C1 ZINC000417236480 533609562 /nfs/dbraw/zinc/60/95/62/533609562.db2.gz ULPOHZBLPMLXQU-SWLSCSKDSA-N 1 0 320.393 1.906 20 5 DDBDRO Cc1n[nH]c(C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000299580595 533668229 /nfs/dbraw/zinc/66/82/29/533668229.db2.gz OUIPJXMXWLYCHY-JTQLQIEISA-N 1 0 309.370 1.477 20 5 DDBDRO CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CC[NH2+]C1 ZINC000568392588 304291045 /nfs/dbraw/zinc/29/10/45/304291045.db2.gz LXNVLHVNJQKJBQ-JTQLQIEISA-N 1 0 312.757 1.480 20 5 DDBDRO CCC1(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])COC1 ZINC000568857770 304316117 /nfs/dbraw/zinc/31/61/17/304316117.db2.gz OPUNCRJJBJQBAT-LBPRGKRZSA-N 1 0 310.350 1.351 20 5 DDBDRO Cn1c(C(=O)Nc2ccc3c(c2)C[NH2+]CCO3)ccc1[N+](=O)[O-] ZINC000261649187 407566117 /nfs/dbraw/zinc/56/61/17/407566117.db2.gz FPKIGMNDQDAAFW-UHFFFAOYSA-N 1 0 316.317 1.668 20 5 DDBDRO O=C(CC[NH2+]CCOCC(F)F)Nc1ccccc1[N+](=O)[O-] ZINC000570325151 304406662 /nfs/dbraw/zinc/40/66/62/304406662.db2.gz NMTLIDVEEMHENB-UHFFFAOYSA-N 1 0 317.292 1.795 20 5 DDBDRO COCC[NH2+]C1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000570524402 304413560 /nfs/dbraw/zinc/41/35/60/304413560.db2.gz AXZLMARPVUEDFL-UHFFFAOYSA-N 1 0 322.365 1.018 20 5 DDBDRO O=C1NCC[C@@H]1CC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000570630527 304417859 /nfs/dbraw/zinc/41/78/59/304417859.db2.gz UDGYWVXPSUTIRB-CYBMUJFWSA-N 1 0 318.377 1.243 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000068177787 406619879 /nfs/dbraw/zinc/61/98/79/406619879.db2.gz FNMNSRASSBLYJQ-UHFFFAOYSA-N 1 0 309.370 1.089 20 5 DDBDRO C[C@@H](Cc1cccs1)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000071269862 406836515 /nfs/dbraw/zinc/83/65/15/406836515.db2.gz SFROQYDMHXXLSK-CMPLNLGQSA-N 1 0 310.379 1.435 20 5 DDBDRO C[C@H](C1CC1)[N@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000073800330 406894695 /nfs/dbraw/zinc/89/46/95/406894695.db2.gz JKGWGUPBQATVPH-SECBINFHSA-N 1 0 321.333 1.992 20 5 DDBDRO CC(C)[NH+]1CCN([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000045777369 407048630 /nfs/dbraw/zinc/04/86/30/407048630.db2.gz BEKARXAJBLSTRG-ZDUSSCGKSA-N 1 0 320.393 1.948 20 5 DDBDRO CC1CC[NH+](CCCCNC(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000047015290 407068547 /nfs/dbraw/zinc/06/85/47/407068547.db2.gz ZWDGGLQSBMXTDT-UHFFFAOYSA-N 1 0 323.397 1.420 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[NH+]2CCC(OC[C@H]3CCCO3)CC2)c1 ZINC000083406343 407081698 /nfs/dbraw/zinc/08/16/98/407081698.db2.gz WZLDGDILAHZJCX-OAHLLOKOSA-N 1 0 324.381 1.451 20 5 DDBDRO C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCCCNC1=O ZINC000105610985 407354571 /nfs/dbraw/zinc/35/45/71/407354571.db2.gz PVDSNBURIPTXSW-HNNXBMFYSA-N 1 0 321.377 1.964 20 5 DDBDRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1c([N+](=O)[O-])cnn1C ZINC000125399730 407387155 /nfs/dbraw/zinc/38/71/55/407387155.db2.gz DHDIXYGCFMVVKX-GHMZBOCLSA-N 1 0 307.354 1.027 20 5 DDBDRO NC(=O)CC[C@@H]1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000170731883 407486590 /nfs/dbraw/zinc/48/65/90/407486590.db2.gz YVHWIEILBYXRKX-ZDUSSCGKSA-N 1 0 321.377 1.951 20 5 DDBDRO C[C@@H](C[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000266541464 407551396 /nfs/dbraw/zinc/55/13/96/407551396.db2.gz QCHAPEJHYKOPMU-XJKSGUPXSA-N 1 0 318.377 1.888 20 5 DDBDRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000261673995 407576020 /nfs/dbraw/zinc/57/60/20/407576020.db2.gz BOAODVXVRBURFK-NWDGAFQWSA-N 1 0 306.366 1.227 20 5 DDBDRO CC[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)CC(C)(C)O ZINC000114487435 407584848 /nfs/dbraw/zinc/58/48/48/407584848.db2.gz XZGHDKXLPARPNG-CYBMUJFWSA-N 1 0 312.366 1.427 20 5 DDBDRO C[C@@H]1CCCN(CC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]1C[NH3+] ZINC000261865696 407648059 /nfs/dbraw/zinc/64/80/59/407648059.db2.gz GLQLAUPDMYEUBU-BXUZGUMPSA-N 1 0 306.366 1.593 20 5 DDBDRO Cn1c(C(=O)NC[C@H]2[NH2+]CCc3ccccc32)ccc1[N+](=O)[O-] ZINC000261915714 407669248 /nfs/dbraw/zinc/66/92/48/407669248.db2.gz QVZCVEVFYDVKJD-CYBMUJFWSA-N 1 0 314.345 1.550 20 5 DDBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000271439531 407685520 /nfs/dbraw/zinc/68/55/20/407685520.db2.gz TVFXGQSSCABBTO-NSHDSACASA-N 1 0 309.370 1.036 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](CO)C1 ZINC000266944686 407686087 /nfs/dbraw/zinc/68/60/87/407686087.db2.gz SDJASJLSMKFQBQ-GFCCVEGCSA-N 1 0 307.350 1.546 20 5 DDBDRO CC(C)C[C@@H]([NH3+])C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000236702448 407755813 /nfs/dbraw/zinc/75/58/13/407755813.db2.gz RCFKGERJTIBUQQ-CYBMUJFWSA-N 1 0 320.393 1.617 20 5 DDBDRO Cc1nn(CCC(=O)N[C@@](C)(C[NH3+])C(C)C)c(C)c1[N+](=O)[O-] ZINC000236637318 407738653 /nfs/dbraw/zinc/73/86/53/407738653.db2.gz CESCGCFVWRGUKM-AWEZNQCLSA-N 1 0 311.386 1.288 20 5 DDBDRO CC(C)C[C@H]([NH3+])C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000236664250 407742899 /nfs/dbraw/zinc/74/28/99/407742899.db2.gz ISMVANRGIRNKLY-HNNXBMFYSA-N 1 0 320.393 1.617 20 5 DDBDRO CCc1n[nH]c(C(=O)N[C@@H](C)C[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000171775061 407766686 /nfs/dbraw/zinc/76/66/86/407766686.db2.gz DQMLLAYEESXDOT-JTQLQIEISA-N 1 0 309.370 1.485 20 5 DDBDRO CCc1n[nH]c(C(=O)NCC[N@@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000171803845 407770662 /nfs/dbraw/zinc/77/06/62/407770662.db2.gz PSTLOWSBRHJFBF-JTQLQIEISA-N 1 0 309.370 1.342 20 5 DDBDRO CC[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CCCO1 ZINC000182225715 306703207 /nfs/dbraw/zinc/70/32/07/306703207.db2.gz UFRXLSMVXMZHOZ-BPUTZDHNSA-N 1 0 324.377 1.882 20 5 DDBDRO CCc1ccc(C(=O)NCC2(O)CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000267183935 407781844 /nfs/dbraw/zinc/78/18/44/407781844.db2.gz WCVLOTASKXQUQD-UHFFFAOYSA-N 1 0 321.377 1.344 20 5 DDBDRO C[C@@H]1CCCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])[C@@H]1C[NH3+] ZINC000237497016 407823497 /nfs/dbraw/zinc/82/34/97/407823497.db2.gz JWVFCLCOXLZJAS-IUODEOHRSA-N 1 0 320.393 1.617 20 5 DDBDRO C[N@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)[C@@H]1CCOC1 ZINC000117340440 407830711 /nfs/dbraw/zinc/83/07/11/407830711.db2.gz UCNYGTYKZYFNSY-GFCCVEGCSA-N 1 0 321.333 1.614 20 5 DDBDRO C[C@](C[NH3+])(NC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000237608699 407832197 /nfs/dbraw/zinc/83/21/97/407832197.db2.gz KGPLOOISXAAVHZ-NKPGBKMFSA-N 1 0 307.325 1.991 20 5 DDBDRO CCNC(=O)C[N@H+](CC)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000133524846 407854974 /nfs/dbraw/zinc/85/49/74/407854974.db2.gz UXRJGTARUZJKRZ-UHFFFAOYSA-N 1 0 322.365 1.381 20 5 DDBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCC[NH2+]C1 ZINC000238029991 407872676 /nfs/dbraw/zinc/87/26/76/407872676.db2.gz LUXDOJWCWGHZFB-LLVKDONJSA-N 1 0 309.391 1.803 20 5 DDBDRO [NH3+]CCCCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000238044848 407875481 /nfs/dbraw/zinc/87/54/81/407875481.db2.gz HDDSTHIZFWZCFT-UHFFFAOYSA-N 1 0 306.366 1.664 20 5 DDBDRO COc1ccc(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000153544189 407847202 /nfs/dbraw/zinc/84/72/02/407847202.db2.gz MDZQOFIADZHDGR-LBPRGKRZSA-N 1 0 307.350 1.770 20 5 DDBDRO C[NH+]1CCC(C)(CNC(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000272493770 407946472 /nfs/dbraw/zinc/94/64/72/407946472.db2.gz FKCSGKYTLHAPRK-UHFFFAOYSA-N 1 0 309.370 1.030 20 5 DDBDRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000262828835 407949914 /nfs/dbraw/zinc/94/99/14/407949914.db2.gz QDVWBISELMXKAM-NEPJUHHUSA-N 1 0 306.366 1.511 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H]1CO ZINC000118400813 407917897 /nfs/dbraw/zinc/91/78/97/407917897.db2.gz GNENHLPKUWEYGY-LBPRGKRZSA-N 1 0 323.349 1.389 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCc3ccccc3[C@H]2CO)c1 ZINC000268457407 408052004 /nfs/dbraw/zinc/05/20/04/408052004.db2.gz COVXKDMIHFKOPV-OAHLLOKOSA-N 1 0 302.334 1.383 20 5 DDBDRO CC[C@H]([NH2+][C@@H](C)C(=O)NCC(=O)OC)c1cccc([N+](=O)[O-])c1 ZINC000181540030 408009207 /nfs/dbraw/zinc/00/92/07/408009207.db2.gz QBVYPUYIAJSENU-GWCFXTLKSA-N 1 0 323.349 1.313 20 5 DDBDRO CNC(=O)CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174998147 408023035 /nfs/dbraw/zinc/02/30/35/408023035.db2.gz JDQZGPYUXOTIOQ-UHFFFAOYSA-N 1 0 305.378 1.985 20 5 DDBDRO C[C@]1(O)CCC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000245852738 408080179 /nfs/dbraw/zinc/08/01/79/408080179.db2.gz DBZZVXKEZWXKQB-HIFRSBDPSA-N 1 0 310.350 1.181 20 5 DDBDRO COC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000136635674 408116523 /nfs/dbraw/zinc/11/65/23/408116523.db2.gz VXHBWNXNDLSSGK-QMTHXVAHSA-N 1 0 307.350 1.936 20 5 DDBDRO CCOCCC[N@@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000273572938 408251641 /nfs/dbraw/zinc/25/16/41/408251641.db2.gz DMZVKHCBNHDWEH-OCCSQVGLSA-N 1 0 323.397 1.934 20 5 DDBDRO C[C@@H](NC(=O)c1[nH]ncc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182822332 408256539 /nfs/dbraw/zinc/25/65/39/408256539.db2.gz PLXJOWNWGVAQCV-GHMZBOCLSA-N 1 0 321.381 1.701 20 5 DDBDRO C[NH2+]CCCN(C)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000127097559 161917312 /nfs/dbraw/zinc/91/73/12/161917312.db2.gz VFEVFMWLWCNSJY-UHFFFAOYSA-N 1 0 321.786 1.478 20 5 DDBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC2(CC1)NC(=O)NC2=O ZINC000263954677 408326056 /nfs/dbraw/zinc/32/60/56/408326056.db2.gz FYHSNOXEJKTKFC-SNVBAGLBSA-N 1 0 318.333 1.330 20 5 DDBDRO C[N@@H+]1CC[C@H](Cn2nnnc2Sc2ccccc2[N+](=O)[O-])C1 ZINC000131974459 162026919 /nfs/dbraw/zinc/02/69/19/162026919.db2.gz UTDVNQBNUFUOOJ-JTQLQIEISA-N 1 0 320.378 1.684 20 5 DDBDRO C[NH2+]C[C@H](C)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000133230480 162054136 /nfs/dbraw/zinc/05/41/36/162054136.db2.gz MUMDSUIDBKZQNS-VIFPVBQESA-N 1 0 301.368 1.037 20 5 DDBDRO COC(=O)[C@@H](O)C1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000135360191 162100525 /nfs/dbraw/zinc/10/05/25/162100525.db2.gz QNBQSPDTTMYWKJ-AWEZNQCLSA-N 1 0 308.334 1.341 20 5 DDBDRO COc1ccc(C(=O)N2CCC([C@@H](C)[NH3+])CC2)cc1[N+](=O)[O-] ZINC000171628311 162231512 /nfs/dbraw/zinc/23/15/12/162231512.db2.gz QRMHDFNYOLXXDY-SNVBAGLBSA-N 1 0 307.350 1.803 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000172832758 162307920 /nfs/dbraw/zinc/30/79/20/162307920.db2.gz QCHLORYYCVBTDK-CYBMUJFWSA-N 1 0 323.397 1.433 20 5 DDBDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000183594337 408450044 /nfs/dbraw/zinc/45/00/44/408450044.db2.gz SDPCLACHKJQGIO-NSHDSACASA-N 1 0 323.353 1.222 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NCC1(C)CC[NH2+]CC1 ZINC000183362360 408390944 /nfs/dbraw/zinc/39/09/44/408390944.db2.gz CHUFIKPFVDCKLX-UHFFFAOYSA-N 1 0 307.350 1.723 20 5 DDBDRO Cc1n[nH]c(C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)c1[N+](=O)[O-] ZINC000264429785 408486688 /nfs/dbraw/zinc/48/66/88/408486688.db2.gz ALKLVQKIRFZDKX-NSHDSACASA-N 1 0 307.354 1.327 20 5 DDBDRO Cc1cc(C[NH+](C)C)cc(NC(=O)Cn2ccc([N+](=O)[O-])n2)c1 ZINC000270355195 408501075 /nfs/dbraw/zinc/50/10/75/408501075.db2.gz DSPHTNDXXWFNHV-UHFFFAOYSA-N 1 0 317.349 1.800 20 5 DDBDRO C[NH+](C)CCCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000248020607 408528967 /nfs/dbraw/zinc/52/89/67/408528967.db2.gz RFLXILGYOAEBJN-UHFFFAOYSA-N 1 0 320.393 1.877 20 5 DDBDRO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000274642896 408478502 /nfs/dbraw/zinc/47/85/02/408478502.db2.gz ZQVKMDVMTJCLNH-RWMBFGLXSA-N 1 0 310.350 1.349 20 5 DDBDRO C[N@H+]1C[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)C[C@H]2C1 ZINC000192503129 408600143 /nfs/dbraw/zinc/60/01/43/408600143.db2.gz WTUUVWMPZKEZDY-AOOOYVTPSA-N 1 0 309.753 1.882 20 5 DDBDRO Cc1nc(N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000275662415 408636520 /nfs/dbraw/zinc/63/65/20/408636520.db2.gz YROLTXUWUKRUMK-LLVKDONJSA-N 1 0 308.382 1.580 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@@H](C)[C@H]1CO ZINC000248936517 408664108 /nfs/dbraw/zinc/66/41/08/408664108.db2.gz NHKDPQYNPIALBG-BXUZGUMPSA-N 1 0 307.350 1.544 20 5 DDBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)[C@@H]1CCN(C)C1=O ZINC000265625095 408717781 /nfs/dbraw/zinc/71/77/81/408717781.db2.gz CRTKXHGKODBHIE-GXFFZTMASA-N 1 0 320.349 1.084 20 5 DDBDRO CC(C)[C@H](CCO)[NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000162196572 408679526 /nfs/dbraw/zinc/67/95/26/408679526.db2.gz MUZBIMLARIIAQE-GJZGRUSLSA-N 1 0 321.377 1.697 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](CCO)C(C)C ZINC000162260387 408685590 /nfs/dbraw/zinc/68/55/90/408685590.db2.gz PJSYUXNTSYBMHS-CYBMUJFWSA-N 1 0 309.366 1.838 20 5 DDBDRO COC[C@H]1CCC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000252441771 408793462 /nfs/dbraw/zinc/79/34/62/408793462.db2.gz RXRDTFGXKQPDQQ-DZGCQCFKSA-N 1 0 324.377 1.693 20 5 DDBDRO CC[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1nccs1 ZINC000185122745 408762231 /nfs/dbraw/zinc/76/22/31/408762231.db2.gz FTHNJMOMPJZHOV-NSHDSACASA-N 1 0 308.363 1.954 20 5 DDBDRO O=C(C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)NCC(F)F ZINC000280771448 408831491 /nfs/dbraw/zinc/83/14/91/408831491.db2.gz GEAHXLPMHFKPHB-LBPRGKRZSA-N 1 0 313.304 1.943 20 5 DDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000280795053 408835196 /nfs/dbraw/zinc/83/51/96/408835196.db2.gz RLWJNBRSEQYRJB-MEBBXXQBSA-N 1 0 320.349 1.119 20 5 DDBDRO CCC[C@@]1([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CCOC1 ZINC000285655090 408835609 /nfs/dbraw/zinc/83/56/09/408835609.db2.gz SPTKBNGPWIIHDE-XJKSGUPXSA-N 1 0 324.377 1.883 20 5 DDBDRO C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000285704945 408847409 /nfs/dbraw/zinc/84/74/09/408847409.db2.gz IYVGSUYMFUFCBY-KGLIPLIRSA-N 1 0 305.334 1.140 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1CCOC[C@H]1C ZINC000277297268 408914689 /nfs/dbraw/zinc/91/46/89/408914689.db2.gz CFCPFXQQBDEHCD-ZYHUDNBSSA-N 1 0 323.349 1.557 20 5 DDBDRO Cc1cc(C(=O)N2CC[NH+]3CCC2CC3)c(N)c([N+](=O)[O-])c1 ZINC000188859386 163074407 /nfs/dbraw/zinc/07/44/07/163074407.db2.gz PVBCHISNJROLSR-UHFFFAOYSA-N 1 0 304.350 1.406 20 5 DDBDRO Cc1n[nH]c(C(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)c1[N+](=O)[O-] ZINC000286989450 409003044 /nfs/dbraw/zinc/00/30/44/409003044.db2.gz GXVHQJYVZHKGAX-WDEREUQCSA-N 1 0 307.354 1.325 20 5 DDBDRO CN(CCN1CCOC(C)(C)C1)c1ncc([N+](=O)[O-])s1 ZINC000282002891 408970372 /nfs/dbraw/zinc/97/03/72/408970372.db2.gz UKXKPXWNHZIBIU-UHFFFAOYSA-N 1 0 300.384 1.598 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000277609203 408976078 /nfs/dbraw/zinc/97/60/78/408976078.db2.gz PNOPMVSYYFROCT-UONOGXRCSA-N 1 0 319.361 1.960 20 5 DDBDRO C[C@H](c1ccccc1)[C@H](C)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000246020812 163450800 /nfs/dbraw/zinc/45/08/00/163450800.db2.gz UXNABOXEBFOIOG-HEHGZKQESA-N 1 0 318.377 1.934 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCC1(O)CC[NH+](C)CC1 ZINC000278033504 409054064 /nfs/dbraw/zinc/05/40/64/409054064.db2.gz RFYDVPTVBLOLBK-UHFFFAOYSA-N 1 0 307.350 1.090 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000278076680 409061842 /nfs/dbraw/zinc/06/18/42/409061842.db2.gz WOXZNPBDCBMWKQ-CYBMUJFWSA-N 1 0 320.393 1.269 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H](C)C[NH+](C)C ZINC000293187875 409065020 /nfs/dbraw/zinc/06/50/20/409065020.db2.gz NMVNWDFEDDNXAA-JTQLQIEISA-N 1 0 322.365 1.156 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000293535898 409132757 /nfs/dbraw/zinc/13/27/57/409132757.db2.gz VKSBIUVJVATSFG-RISCZKNCSA-N 1 0 318.377 1.485 20 5 DDBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000293346390 409094410 /nfs/dbraw/zinc/09/44/10/409094410.db2.gz HLNZEXCDKNZFDQ-FRRDWIJNSA-N 1 0 320.393 1.946 20 5 DDBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000283648965 409190928 /nfs/dbraw/zinc/19/09/28/409190928.db2.gz CUROZUDNUWCDAA-SECBINFHSA-N 1 0 312.345 1.776 20 5 DDBDRO C[C@H](C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)CN1CCOCC1 ZINC000293632753 409150867 /nfs/dbraw/zinc/15/08/67/409150867.db2.gz HPTKDHJTWIFOBU-CHWSQXEVSA-N 1 0 322.409 1.796 20 5 DDBDRO C[C@@H](CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)C[NH+](C)C ZINC000293966124 409216414 /nfs/dbraw/zinc/21/64/14/409216414.db2.gz WNPMJJWKGMJBGV-VIFPVBQESA-N 1 0 305.338 1.399 20 5 DDBDRO C[C@H](CC(N)=O)[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000279527693 409231831 /nfs/dbraw/zinc/23/18/31/409231831.db2.gz OXORXXRZGMHHNP-SSDOTTSWSA-N 1 0 305.256 1.967 20 5 DDBDRO O=C(Cc1ccccc1[N+](=O)[O-])N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000290199759 409319186 /nfs/dbraw/zinc/31/91/86/409319186.db2.gz RFLKEJIKNWQACR-HNNXBMFYSA-N 1 0 317.389 1.985 20 5 DDBDRO CC(C)[NH+]1CCC(N(C)c2nccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000290579700 409451134 /nfs/dbraw/zinc/45/11/34/409451134.db2.gz VPZQHGTZFXSQQA-UHFFFAOYSA-N 1 0 321.381 1.398 20 5 DDBDRO NC(=O)c1ccc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000317043683 164025338 /nfs/dbraw/zinc/02/53/38/164025338.db2.gz VBVFLVVBINSNDH-NEPJUHHUSA-N 1 0 304.350 1.732 20 5 DDBDRO C[NH+](C)CCOCCNc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000318890547 164034021 /nfs/dbraw/zinc/03/40/21/164034021.db2.gz SRYCSEIIPPJBLX-UHFFFAOYSA-N 1 0 322.287 1.999 20 5 DDBDRO C[NH+]1C[C@H]2CN(C(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC000347681313 164099833 /nfs/dbraw/zinc/09/98/33/164099833.db2.gz JHOHQMYMDWVGGB-STQMWFEESA-N 1 0 317.389 1.892 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC(Oc3cnccn3)CC2)n1 ZINC000373278777 164169248 /nfs/dbraw/zinc/16/92/48/164169248.db2.gz QBVPZEXEBJJENL-UHFFFAOYSA-N 1 0 318.337 1.125 20 5 DDBDRO C[C@@H]1CC[N@H+](C)CCN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000354001344 409592121 /nfs/dbraw/zinc/59/21/21/409592121.db2.gz OAEONKCSVDAKMX-GFCCVEGCSA-N 1 0 306.366 1.559 20 5 DDBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@H]1CCCS1(=O)=O ZINC000345032253 409603776 /nfs/dbraw/zinc/60/37/76/409603776.db2.gz WENVQKWWZHNOCT-ACVFHECNSA-N 1 0 310.375 1.775 20 5 DDBDRO COC(=O)Cc1ccc(NCC[N@H+]2CC=CCC2)c([N+](=O)[O-])c1 ZINC000296875026 409680339 /nfs/dbraw/zinc/68/03/39/409680339.db2.gz WNBOSMMSJTYBJW-UHFFFAOYSA-N 1 0 319.361 1.984 20 5 DDBDRO COc1ccc(C[NH2+][C@H]2CCS(=O)(=O)[C@@H]2C)cc1[N+](=O)[O-] ZINC000315447433 409844050 /nfs/dbraw/zinc/84/40/50/409844050.db2.gz JZJHBTNYJFUQAA-KOLCDFICSA-N 1 0 314.363 1.269 20 5 DDBDRO COC[C@@]1(CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CCC[NH2+]1 ZINC000323707574 409919981 /nfs/dbraw/zinc/91/99/81/409919981.db2.gz HOXLITKQIATYCT-WHWKNOJMSA-N 1 0 319.361 1.493 20 5 DDBDRO C[N@@H+]1CCCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000297705573 409966760 /nfs/dbraw/zinc/96/67/60/409966760.db2.gz BAGYOPQGHGOTHU-UHFFFAOYSA-N 1 0 317.349 1.782 20 5 DDBDRO CCNC(=O)[C@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])C(C)C ZINC000339331535 410101483 /nfs/dbraw/zinc/10/14/83/410101483.db2.gz ZDERHUBTLIBXCJ-CQSZACIVSA-N 1 0 309.366 1.724 20 5 DDBDRO CN(CCC[NH+]1CCCC1)c1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000343064618 410116580 /nfs/dbraw/zinc/11/65/80/410116580.db2.gz IFDAMHPOSNPOFQ-UHFFFAOYSA-N 1 0 306.366 1.616 20 5 DDBDRO COc1ccc(NC(=O)CC[N@H+](C)[C@@H](C)CO)c([N+](=O)[O-])c1 ZINC000298517397 410270342 /nfs/dbraw/zinc/27/03/42/410270342.db2.gz LDOJPBINKHPESP-JTQLQIEISA-N 1 0 311.338 1.245 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000351848704 410284691 /nfs/dbraw/zinc/28/46/91/410284691.db2.gz DVMIFHOKVMUKBL-WDEREUQCSA-N 1 0 322.365 1.211 20 5 DDBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000357908910 410321973 /nfs/dbraw/zinc/32/19/73/410321973.db2.gz FMLOGRLGKUOUQM-GFCCVEGCSA-N 1 0 309.391 1.897 20 5 DDBDRO CC[N@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)[C@@H](C)CO ZINC000339629579 410345511 /nfs/dbraw/zinc/34/55/11/410345511.db2.gz LWOBCUCYKHOXDK-NSHDSACASA-N 1 0 323.349 1.596 20 5 DDBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](C)C(=O)N(C)C ZINC000357850344 410294874 /nfs/dbraw/zinc/29/48/74/410294874.db2.gz NBNPHPLHFZQYOX-GHMZBOCLSA-N 1 0 322.365 1.378 20 5 DDBDRO CCOc1ccc([C@@H](C)NC[C@@]2(O)CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000358251984 410421336 /nfs/dbraw/zinc/42/13/36/410421336.db2.gz NDFMMNRJFANMOT-WBMJQRKESA-N 1 0 323.393 1.711 20 5 DDBDRO CCOc1ccc([C@@H](C)NC[C@]2(O)CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000358251983 410421407 /nfs/dbraw/zinc/42/14/07/410421407.db2.gz NDFMMNRJFANMOT-MLGOLLRUSA-N 1 0 323.393 1.711 20 5 DDBDRO CCC[N@H+](CCO)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000299235468 410576204 /nfs/dbraw/zinc/57/62/04/410576204.db2.gz SCZIFDOWCJHJGV-UHFFFAOYSA-N 1 0 309.366 1.936 20 5 DDBDRO COCCCNC(=O)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000299179172 410558982 /nfs/dbraw/zinc/55/89/82/410558982.db2.gz YXBCKAGZFCLRIG-GFCCVEGCSA-N 1 0 309.366 1.707 20 5 DDBDRO CC[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2C(=O)NC)CC1 ZINC000301103545 410659415 /nfs/dbraw/zinc/65/94/15/410659415.db2.gz LLTVKLLBVGWCBN-UHFFFAOYSA-N 1 0 306.366 1.851 20 5 DDBDRO CC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000330436400 410690626 /nfs/dbraw/zinc/69/06/26/410690626.db2.gz MMIPFIFGOJRHSM-NSHDSACASA-N 1 0 309.370 1.127 20 5 DDBDRO Cc1nn(C)c(NC[C@@H]2C[N@H+](CC(C)C)CCO2)c1[N+](=O)[O-] ZINC000301301612 410696291 /nfs/dbraw/zinc/69/62/91/410696291.db2.gz VMOVOTXSQLLLGR-GFCCVEGCSA-N 1 0 311.386 1.405 20 5 DDBDRO COc1cc(C[NH2+]CCc2ncc(C)cn2)c([N+](=O)[O-])cc1O ZINC000340109151 410679880 /nfs/dbraw/zinc/67/98/80/410679880.db2.gz QKDOYEZGOQUCCP-UHFFFAOYSA-N 1 0 318.333 1.740 20 5 DDBDRO Cc1nc(NC[C@H](O)C[NH+]2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000301629845 410759815 /nfs/dbraw/zinc/75/98/15/410759815.db2.gz CBNYNJWITAITFE-ZDUSSCGKSA-N 1 0 308.382 1.803 20 5 DDBDRO Cc1ccc(NC[C@](C)(O)CN2CCOCC2)c([N+](=O)[O-])c1 ZINC000301740609 410784473 /nfs/dbraw/zinc/78/44/73/410784473.db2.gz DPAQYPQHWKLSME-HNNXBMFYSA-N 1 0 309.366 1.398 20 5 DDBDRO CC[C@@H](C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[NH+](CC)CC ZINC000359676988 410808537 /nfs/dbraw/zinc/80/85/37/410808537.db2.gz IADKAOZVLNFLHA-ZDUSSCGKSA-N 1 0 319.365 2.530 20 5 DDBDRO C[C@@H]1CN(C(=O)COc2ccccc2[N+](=O)[O-])[C@@H](C)C[N@@H+]1C ZINC000330599613 410813807 /nfs/dbraw/zinc/81/38/07/410813807.db2.gz ULMZLCIZBONOSL-NEPJUHHUSA-N 1 0 307.350 1.525 20 5 DDBDRO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000348180928 410839503 /nfs/dbraw/zinc/83/95/03/410839503.db2.gz IZPXADJUXWCLMG-RYUDHWBXSA-N 1 0 307.350 1.608 20 5 DDBDRO COCCN(CC[NH+](C)C)C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000580260605 422907692 /nfs/dbraw/zinc/90/76/92/422907692.db2.gz IYWXKDKTFAOLDH-UHFFFAOYSA-N 1 0 313.329 1.384 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc3c(c2)C[NH2+]CC3)n1 ZINC000580768741 422952293 /nfs/dbraw/zinc/95/22/93/422952293.db2.gz XZPWYTMROFCAII-UHFFFAOYSA-N 1 0 315.333 1.709 20 5 DDBDRO C[C@H]([NH3+])[C@H]1CCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000132292794 196242823 /nfs/dbraw/zinc/24/28/23/196242823.db2.gz OXGZPSSHQHRJFX-JQWIXIFHSA-N 1 0 313.379 1.094 20 5 DDBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@@H]([NH3+])C1 ZINC000132679156 196275483 /nfs/dbraw/zinc/27/54/83/196275483.db2.gz JRYMFCHINVVMDW-WCBMZHEXSA-N 1 0 313.741 1.575 20 5 DDBDRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000417232782 225257464 /nfs/dbraw/zinc/25/74/64/225257464.db2.gz NBCCQAFLZHBSGA-CHWSQXEVSA-N 1 0 306.366 1.564 20 5 DDBDRO C[C@H]1C[C@@H](NC(=O)NCCc2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000417949083 225519114 /nfs/dbraw/zinc/51/91/14/225519114.db2.gz UUWWHISDHBOVIW-AAEUAGOBSA-N 1 0 306.366 1.577 20 5 DDBDRO O=C(NC[C@H]1CCC[NH2+]C1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000418355882 225696760 /nfs/dbraw/zinc/69/67/60/225696760.db2.gz XIUITOYXBQACGO-LBPRGKRZSA-N 1 0 318.377 1.662 20 5 DDBDRO C[C@@H]1C[NH2+]CCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000420281297 226452223 /nfs/dbraw/zinc/45/22/23/226452223.db2.gz AJGPHTGVASZUDD-SECBINFHSA-N 1 0 312.757 1.480 20 5 DDBDRO [NH3+]C[C@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])CC12CCOCC2 ZINC000571761007 304486048 /nfs/dbraw/zinc/48/60/48/304486048.db2.gz BGWSVBLOODDYTE-LBPRGKRZSA-N 1 0 319.361 1.422 20 5 DDBDRO O=[N+]([O-])c1cnc(N2CCC[N@@H+](C3CCOCC3)CC2)s1 ZINC000374491878 418534814 /nfs/dbraw/zinc/53/48/14/418534814.db2.gz INLJQNSAHKCBAB-UHFFFAOYSA-N 1 0 312.395 1.742 20 5 DDBDRO COc1cccc(C(=O)N(C)CC[N@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000192904574 418527682 /nfs/dbraw/zinc/52/76/82/418527682.db2.gz UXWLTMPYJZRUNE-UHFFFAOYSA-N 1 0 307.350 1.770 20 5 DDBDRO C[C@@H]1CN(CC[N@@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)CCO1 ZINC000367049125 418555070 /nfs/dbraw/zinc/55/50/70/418555070.db2.gz CDRHCSVDMYKJBM-ZIAGYGMSSA-N 1 0 323.397 1.149 20 5 DDBDRO Nc1c(C(=O)N[C@@H]2C[C@@H]2C2CC[NH2+]CC2)cc(F)cc1[N+](=O)[O-] ZINC000361082106 418579763 /nfs/dbraw/zinc/57/97/63/418579763.db2.gz UIOBKXOYLDJSNN-ZYHUDNBSSA-N 1 0 322.340 1.434 20 5 DDBDRO COc1cc(CN2CC[C@H](O)[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000190063980 222066343 /nfs/dbraw/zinc/06/63/43/222066343.db2.gz ZXASDKLSINTJPX-GWCFXTLKSA-N 1 0 310.350 1.815 20 5 DDBDRO COc1cc(OCC(=O)NC2(C)CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000193384444 222152464 /nfs/dbraw/zinc/15/24/64/222152464.db2.gz AYMXSVXUEFNMMB-UHFFFAOYSA-N 1 0 323.349 1.241 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)Cc3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000375053029 418595892 /nfs/dbraw/zinc/59/58/92/418595892.db2.gz DWUBOMYXJFZFGQ-HIFRSBDPSA-N 1 0 303.362 1.690 20 5 DDBDRO Nc1ccc(N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c([N+](=O)[O-])c1 ZINC000367417694 418599797 /nfs/dbraw/zinc/59/97/97/418599797.db2.gz IGQNSSOVPQGSOY-DZGCQCFKSA-N 1 0 306.366 1.212 20 5 DDBDRO CNC(=O)c1ccc(N2CC[C@H]3CC[N@H+](C)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000375035556 418592115 /nfs/dbraw/zinc/59/21/15/418592115.db2.gz CTNFLEBQLKZOOS-IAQYHMDHSA-N 1 0 318.377 1.485 20 5 DDBDRO CCC(CC)[C@@H](CNc1ncc([N+](=O)[O-])c(N)n1)[NH+]1CCCC1 ZINC000338972940 418620617 /nfs/dbraw/zinc/62/06/17/418620617.db2.gz XZPRVXUPSHNHIU-GFCCVEGCSA-N 1 0 322.413 1.701 20 5 DDBDRO [NH3+][C@@H]1CCC[C@@H](C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000346284218 418637575 /nfs/dbraw/zinc/63/75/75/418637575.db2.gz MFJMEQMDYXMQOU-RKDXNWHRSA-N 1 0 303.322 1.927 20 5 DDBDRO C[C@H]1CC[NH2+][C@@H](C(=O)NCCNc2ccccc2[N+](=O)[O-])C1 ZINC000422938769 227271083 /nfs/dbraw/zinc/27/10/83/227271083.db2.gz PYQDCQZTLZMJCR-WCQYABFASA-N 1 0 306.366 1.511 20 5 DDBDRO Cc1ccc([C@H](C)NC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)cc1[N+](=O)[O-] ZINC000417845990 419352412 /nfs/dbraw/zinc/35/24/12/419352412.db2.gz JANIUSNQAFTKKI-FPMFFAJLSA-N 1 0 318.377 1.825 20 5 DDBDRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000417934702 419398272 /nfs/dbraw/zinc/39/82/72/419398272.db2.gz FWJKHLNLULMJSY-WCQYABFASA-N 1 0 306.366 1.516 20 5 DDBDRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000417954163 419420205 /nfs/dbraw/zinc/42/02/05/419420205.db2.gz ZXZGAXQLMKDSPS-RISCZKNCSA-N 1 0 306.366 1.435 20 5 DDBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000420993408 419427109 /nfs/dbraw/zinc/42/71/09/419427109.db2.gz ATBYJVMNQOVPLL-WFASDCNBSA-N 1 0 320.393 1.948 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2C[C@H](O)C[C@@H]2c2ccccc2)c1 ZINC000411938081 419507466 /nfs/dbraw/zinc/50/74/66/419507466.db2.gz JOCWHSLPFUPVNQ-HUUCEWRRSA-N 1 0 302.334 1.599 20 5 DDBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000421705312 419688528 /nfs/dbraw/zinc/68/85/28/419688528.db2.gz QZLAUXLJRUMRJM-CYBMUJFWSA-N 1 0 320.393 1.584 20 5 DDBDRO C[NH+](C)CCOCCNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412247463 419744451 /nfs/dbraw/zinc/74/44/51/419744451.db2.gz SHMTYUYNQRXEIT-LSDHHAIUSA-N 1 0 321.377 1.393 20 5 DDBDRO O=C(CCN1CC[C@H]2[NH2+]CC[C@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000428035321 419796837 /nfs/dbraw/zinc/79/68/37/419796837.db2.gz PMQMAVSBABTACJ-QWHCGFSZSA-N 1 0 318.377 1.607 20 5 DDBDRO Cc1nn(C)c(C(=O)Nc2cccc(C[NH+](C)C)c2)c1[N+](=O)[O-] ZINC000299140424 228959428 /nfs/dbraw/zinc/95/94/28/228959428.db2.gz HTJSLLQGKKBBFX-UHFFFAOYSA-N 1 0 317.349 1.951 20 5 DDBDRO Nc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000434419296 229293654 /nfs/dbraw/zinc/29/36/54/229293654.db2.gz KIHBQOVTGCKKCK-LLVKDONJSA-N 1 0 319.365 1.319 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000428999777 419959209 /nfs/dbraw/zinc/95/92/09/419959209.db2.gz VZANGKIVQPLRCZ-GHMZBOCLSA-N 1 0 307.350 1.721 20 5 DDBDRO CCC[N@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])CC(N)=O ZINC000429174195 419982032 /nfs/dbraw/zinc/98/20/32/419982032.db2.gz DMIKXPJIKLKECU-UHFFFAOYSA-N 1 0 311.338 1.180 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000429181750 419984062 /nfs/dbraw/zinc/98/40/62/419984062.db2.gz BDRJLVNPKOMQNT-CMPLNLGQSA-N 1 0 309.370 1.076 20 5 DDBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](CN)C1CC1 ZINC000423282135 420000945 /nfs/dbraw/zinc/00/09/45/420000945.db2.gz UZEDRKKAKSXGPY-QMTHXVAHSA-N 1 0 306.366 1.639 20 5 DDBDRO COc1ccc(NC(=O)NCC[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000415442724 420068459 /nfs/dbraw/zinc/06/84/59/420068459.db2.gz QJAISSLENVQXAB-JTQLQIEISA-N 1 0 308.338 1.725 20 5 DDBDRO Cc1n[nH]c(C(=O)NCc2ccc([C@H](C)[NH3+])cc2)c1[N+](=O)[O-] ZINC000429489538 420020494 /nfs/dbraw/zinc/02/04/94/420020494.db2.gz AYEBCLFCFUISMW-QMMMGPOBSA-N 1 0 303.322 1.576 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000415388666 420046856 /nfs/dbraw/zinc/04/68/56/420046856.db2.gz YOSMIYPPKNZBJI-LLVKDONJSA-N 1 0 320.349 1.018 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000423476857 420058452 /nfs/dbraw/zinc/05/84/52/420058452.db2.gz SRUUXHKCECSHQR-WDEREUQCSA-N 1 0 307.350 1.803 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000415507141 420094810 /nfs/dbraw/zinc/09/48/10/420094810.db2.gz SMUZFLCAJLAZIJ-QWRGUYRKSA-N 1 0 320.349 1.677 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@H]1C[NH2+]CCN1C ZINC000415590141 420119252 /nfs/dbraw/zinc/11/92/52/420119252.db2.gz ZUXMYRUKCXYMMB-GFCCVEGCSA-N 1 0 321.381 1.237 20 5 DDBDRO COC(=O)c1cc(NC(=O)NCCC[NH3+])c(C)c([N+](=O)[O-])c1 ZINC000415599100 420122215 /nfs/dbraw/zinc/12/22/15/420122215.db2.gz MACWXRWUQBOHHB-UHFFFAOYSA-N 1 0 310.310 1.160 20 5 DDBDRO COc1cccc(C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC000423528065 420072439 /nfs/dbraw/zinc/07/24/39/420072439.db2.gz NOPVYUZVFGFBCA-OAHLLOKOSA-N 1 0 305.334 1.429 20 5 DDBDRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000415457254 420075597 /nfs/dbraw/zinc/07/55/97/420075597.db2.gz XIUMATPSSOHHQM-QWRGUYRKSA-N 1 0 320.349 1.119 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000415496875 420090189 /nfs/dbraw/zinc/09/01/89/420090189.db2.gz HGHNPFDBTJKMEF-NXEZZACHSA-N 1 0 308.338 1.804 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](CNC(C)=O)C1 ZINC000430223277 420092854 /nfs/dbraw/zinc/09/28/54/420092854.db2.gz UTNXCKNUATZBHW-ZDUSSCGKSA-N 1 0 321.377 1.952 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[NH2+]C[C@H]1C ZINC000420300662 420191272 /nfs/dbraw/zinc/19/12/72/420191272.db2.gz VCNYQJWCLYYVNW-LLVKDONJSA-N 1 0 322.365 1.226 20 5 DDBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)CC(C)(C)C[NH3+] ZINC000430585381 420148365 /nfs/dbraw/zinc/14/83/65/420148365.db2.gz SDTNGWNUSZNWJE-NSHDSACASA-N 1 0 308.382 1.839 20 5 DDBDRO COC(=O)c1cnc(NC[C@@H]2[NH2+]CCCC2(C)C)c([N+](=O)[O-])c1 ZINC000420237033 420161236 /nfs/dbraw/zinc/16/12/36/420161236.db2.gz FPZKBKACEXQSIO-LBPRGKRZSA-N 1 0 322.365 1.967 20 5 DDBDRO O=[N+]([O-])c1cnc(C(F)(F)F)cc1NC[C@H]1C[NH2+]C[C@H]1O ZINC000420244578 420166599 /nfs/dbraw/zinc/16/65/99/420166599.db2.gz QJIVTQFQJHOLPQ-HZGVNTEJSA-N 1 0 306.244 1.001 20 5 DDBDRO Cc1cc(NC[C@H]2C[NH2+]CCN2C)c2cccc([N+](=O)[O-])c2n1 ZINC000420268219 420175366 /nfs/dbraw/zinc/17/53/66/420175366.db2.gz HMDOXFCBDVXLRJ-GFCCVEGCSA-N 1 0 315.377 1.767 20 5 DDBDRO [NH3+][C@H]1CCC[C@H](CNc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000420278371 420179729 /nfs/dbraw/zinc/17/97/29/420179729.db2.gz JDBCNGSBRKVCFN-JQWIXIFHSA-N 1 0 317.349 2.574 20 5 DDBDRO C[NH2+]C[C@H]1CCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000430951924 420222470 /nfs/dbraw/zinc/22/24/70/420222470.db2.gz NNQGMSFCCYMVAO-GFCCVEGCSA-N 1 0 306.366 1.099 20 5 DDBDRO C[C@H]1CN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@@H](C)C[NH2+]1 ZINC000420380523 420250423 /nfs/dbraw/zinc/25/04/23/420250423.db2.gz CBVIJQHCWGBNPS-QWRGUYRKSA-N 1 0 317.349 1.827 20 5 DDBDRO CC[C@@H]([NH3+])CNS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000420441813 420290001 /nfs/dbraw/zinc/29/00/01/420290001.db2.gz OUXSZLUBCYELHJ-SNVBAGLBSA-N 1 0 301.368 1.227 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@@H](C)[NH2+]C[C@H]1C ZINC000420399301 420263833 /nfs/dbraw/zinc/26/38/33/420263833.db2.gz NTMNALRUJJQEFF-CHWSQXEVSA-N 1 0 320.393 1.914 20 5 DDBDRO Cc1c(NC(=O)CCN2CC[NH2+][C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000420337522 420218718 /nfs/dbraw/zinc/21/87/18/420218718.db2.gz NRJCYTPLFYALBZ-NSHDSACASA-N 1 0 306.366 1.526 20 5 DDBDRO CC[C@H]([NH3+])CNS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000420473909 420306681 /nfs/dbraw/zinc/30/66/81/420306681.db2.gz VGRPYXLBUDSTRV-JTQLQIEISA-N 1 0 301.368 1.227 20 5 DDBDRO C[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H](C)CN1CCO ZINC000416289731 420308380 /nfs/dbraw/zinc/30/83/80/420308380.db2.gz FVYPLCBYYBZAGA-RYUDHWBXSA-N 1 0 307.350 1.122 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@@H](C[NH3+])C2CC2)c1 ZINC000420452652 420296584 /nfs/dbraw/zinc/29/65/84/420296584.db2.gz LRYMOVQJEYHKKM-NSHDSACASA-N 1 0 313.379 1.227 20 5 DDBDRO C[C@@H]1C[C@H](NC(=O)NCCc2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000417757642 420470224 /nfs/dbraw/zinc/47/02/24/420470224.db2.gz BLHILOJGJAZCKP-DGCLKSJQSA-N 1 0 306.366 1.577 20 5 DDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000417773179 420475080 /nfs/dbraw/zinc/47/50/80/420475080.db2.gz WLUKYKZDEKWPBX-ZIAGYGMSSA-N 1 0 318.377 1.388 20 5 DDBDRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000417774123 420475397 /nfs/dbraw/zinc/47/53/97/420475397.db2.gz YRRQAQGSFYKESF-UONOGXRCSA-N 1 0 320.393 1.954 20 5 DDBDRO Cc1ccc(S(=O)(=O)N2CC[NH2+][C@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000440801441 420609107 /nfs/dbraw/zinc/60/91/07/420609107.db2.gz ALIUUAAPAJQYJC-MNOVXSKESA-N 1 0 313.379 1.274 20 5 DDBDRO C[C@@H]1[C@H](C)[NH2+]CCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000440819708 420609758 /nfs/dbraw/zinc/60/97/58/420609758.db2.gz WUPQJXQBCDXVQC-JGVFFNPUSA-N 1 0 305.381 1.027 20 5 DDBDRO C[C@@H](NC(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC001120573345 782030769 /nfs/dbraw/zinc/03/07/69/782030769.db2.gz CUILLOBNCOTKEC-KWCYVHTRSA-N 1 0 318.377 1.907 20 5 DDBDRO O=C(/C=C\c1ccc(F)cc1[N+](=O)[O-])NC[C@H]1C[NH2+]CCCO1 ZINC000493066356 420747611 /nfs/dbraw/zinc/74/76/11/420747611.db2.gz XSJIWZVZPKDKMJ-HSBHDXMMSA-N 1 0 323.324 1.242 20 5 DDBDRO C[C@@H]1C[C@@H](C[NH3+])CN1[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000442757061 420707933 /nfs/dbraw/zinc/70/79/33/420707933.db2.gz GAHNKSDHRVTHBP-XUJVJEKNSA-N 1 0 318.377 1.369 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@@H](C[NH3+])C[C@@H]1C ZINC000442765262 420710760 /nfs/dbraw/zinc/71/07/60/420710760.db2.gz IVBCOTSUQSJOCM-WDEREUQCSA-N 1 0 322.365 1.211 20 5 DDBDRO CC1(C)C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000447871589 420808069 /nfs/dbraw/zinc/80/80/69/420808069.db2.gz LGEIZJGWYHECBI-ZDUSSCGKSA-N 1 0 307.350 1.626 20 5 DDBDRO Cn1nccc1[C@H](CO)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000459713101 420854541 /nfs/dbraw/zinc/85/45/41/420854541.db2.gz NLEDYXBFPAXEMA-BPJJOFIESA-N 1 0 302.334 1.665 20 5 DDBDRO CO[C@H]1C[C@@H]([NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C12CCC2 ZINC000459741891 420862209 /nfs/dbraw/zinc/86/22/09/420862209.db2.gz CDIJCGSGZKNIGM-KGLIPLIRSA-N 1 0 319.361 1.741 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCc2ncnn2C1 ZINC000449128222 420956832 /nfs/dbraw/zinc/95/68/32/420956832.db2.gz YOCUSJYVFIHFGJ-YPMHNXCESA-N 1 0 301.350 1.722 20 5 DDBDRO C[NH2+][C@@H](CC(C)(C)C)C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000449170390 420964502 /nfs/dbraw/zinc/96/45/02/420964502.db2.gz QSAPVIXQIFJPLS-LBPRGKRZSA-N 1 0 319.365 2.434 20 5 DDBDRO COC(=O)COC[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000449246476 420976023 /nfs/dbraw/zinc/97/60/23/420976023.db2.gz DLFHKOOKVARSBF-VIFPVBQESA-N 1 0 316.741 1.916 20 5 DDBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000470182977 420931381 /nfs/dbraw/zinc/93/13/81/420931381.db2.gz LHFYVTZGTRSOBY-RCLYDWMDSA-N 1 0 319.361 1.573 20 5 DDBDRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000449716772 421067896 /nfs/dbraw/zinc/06/78/96/421067896.db2.gz LYOUCWUVHBVEAY-RKDXNWHRSA-N 1 0 303.322 1.328 20 5 DDBDRO Cc1sc(S(=O)(=O)NCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000489065436 421135584 /nfs/dbraw/zinc/13/55/84/421135584.db2.gz ABMHWBLFQRUVPI-UHFFFAOYSA-N 1 0 307.397 1.195 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000522811423 421226252 /nfs/dbraw/zinc/22/62/52/421226252.db2.gz PSESOKQFMBMGOS-ZDUSSCGKSA-N 1 0 323.397 1.336 20 5 DDBDRO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cn2)CC[N@@H+](C2CCC2)C1 ZINC000561527859 421328757 /nfs/dbraw/zinc/32/87/57/421328757.db2.gz WEOSVLOZWMELPQ-GFCCVEGCSA-N 1 0 318.377 1.936 20 5 DDBDRO COc1c(C(=O)NCC[N@@H+]2CC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000527248556 421370928 /nfs/dbraw/zinc/37/09/28/421370928.db2.gz GPNDXDPCZCXVDW-LLVKDONJSA-N 1 0 307.350 1.675 20 5 DDBDRO O=C(NC[C@H]1CCC[NH2+]C1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000562971741 421433225 /nfs/dbraw/zinc/43/32/25/421433225.db2.gz FRDIXDNMJVYLJL-JTQLQIEISA-N 1 0 321.333 1.095 20 5 DDBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000563537386 421518995 /nfs/dbraw/zinc/51/89/95/421518995.db2.gz SUCOYULWZOJLNN-AXFHLTTASA-N 1 0 322.365 1.014 20 5 DDBDRO CN1C(=O)CC[C@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1=O ZINC000563419152 421506658 /nfs/dbraw/zinc/50/66/58/421506658.db2.gz SXAFPUZMEGDBQZ-NEPJUHHUSA-N 1 0 303.318 1.319 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CCCn1ccnc1 ZINC000551574846 421534187 /nfs/dbraw/zinc/53/41/87/421534187.db2.gz SPRDKSHPPPKMED-ZDUSSCGKSA-N 1 0 320.349 1.211 20 5 DDBDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000556321742 421709008 /nfs/dbraw/zinc/70/90/08/421709008.db2.gz HARCNJZARQDTRO-HOSYDEDBSA-N 1 0 307.354 1.120 20 5 DDBDRO COc1ccc(CC(=O)N2CC[N@H+](C)CC2(C)C)cc1[N+](=O)[O-] ZINC000535755562 421709914 /nfs/dbraw/zinc/70/99/14/421709914.db2.gz SQDPVTSKRMRKCE-UHFFFAOYSA-N 1 0 321.377 1.699 20 5 DDBDRO CC(=O)N1CC([NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000572060933 421763228 /nfs/dbraw/zinc/76/32/28/421763228.db2.gz SWNKARLFEVDJDJ-SNVBAGLBSA-N 1 0 320.349 1.132 20 5 DDBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NCC1CC[NH2+]CC1 ZINC000557211186 421764286 /nfs/dbraw/zinc/76/42/86/421764286.db2.gz JHHYXTSUTRATIU-UHFFFAOYSA-N 1 0 320.393 1.778 20 5 DDBDRO CN(C)C(=O)CCC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000574627810 422144060 /nfs/dbraw/zinc/14/40/60/422144060.db2.gz AWAUWAKPNDIPSF-GFCCVEGCSA-N 1 0 321.381 1.344 20 5 DDBDRO [NH3+]C1(c2noc(-c3cc4c(cc3[N+](=O)[O-])OCO4)n2)CCC1 ZINC000574755904 422174052 /nfs/dbraw/zinc/17/40/52/422174052.db2.gz JAKVDBSUQROQDU-UHFFFAOYSA-N 1 0 304.262 1.711 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CCC2(O)CCC2)c1 ZINC000574566816 422135349 /nfs/dbraw/zinc/13/53/49/422135349.db2.gz RKSNTHSTHVWDPZ-ZDUSSCGKSA-N 1 0 310.350 1.229 20 5 DDBDRO Cc1cc(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)ccn1 ZINC000574870886 422199477 /nfs/dbraw/zinc/19/94/77/422199477.db2.gz YCWPXLVWJIHAGJ-OAHLLOKOSA-N 1 0 317.345 1.828 20 5 DDBDRO C[C@@H]1C[NH2+]CCN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000124686509 263340500 /nfs/dbraw/zinc/34/05/00/263340500.db2.gz MPRGGSROWVRNAE-SNVBAGLBSA-N 1 0 304.350 1.603 20 5 DDBDRO Cc1cc(N2CCN([C@H]3CC[NH2+]C3)CC2)c(F)cc1[N+](=O)[O-] ZINC000320412820 271025032 /nfs/dbraw/zinc/02/50/32/271025032.db2.gz SDBCSDLZRIFAPO-LBPRGKRZSA-N 1 0 308.357 1.526 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000332253292 271033417 /nfs/dbraw/zinc/03/34/17/271033417.db2.gz MJJUUVWLZXSUKG-KGLIPLIRSA-N 1 0 319.361 1.960 20 5 DDBDRO CC1(C)C[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC(C)(C)C1 ZINC000342356330 271386250 /nfs/dbraw/zinc/38/62/50/271386250.db2.gz PTAVEGRIBLGLJI-CYBMUJFWSA-N 1 0 310.398 1.910 20 5 DDBDRO C[C@H]([NH2+][C@H]1CCCN(C)[C@H]1C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000342737004 271495258 /nfs/dbraw/zinc/49/52/58/271495258.db2.gz NQNDZCHSFPLJQU-HUBLWGQQSA-N 1 0 320.393 1.994 20 5 DDBDRO [NH3+][C@@H]1CCCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000346049710 272399297 /nfs/dbraw/zinc/39/92/97/272399297.db2.gz ZUFVLCKRTMNOKM-BXUZGUMPSA-N 1 0 304.350 1.123 20 5 DDBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1ccc([N+](=O)[O-])n1C ZINC000346142384 272424869 /nfs/dbraw/zinc/42/48/69/272424869.db2.gz XYLHAEYFOCHILB-NEPJUHHUSA-N 1 0 306.366 1.632 20 5 DDBDRO O=[N+]([O-])c1cnc2ccc(N3CCC([NH+]4CCCC4)CC3)nn21 ZINC000301824400 275041668 /nfs/dbraw/zinc/04/16/68/275041668.db2.gz DDEQKMRAQCTHEP-UHFFFAOYSA-N 1 0 316.365 1.702 20 5 DDBDRO CC[NH+]1CCN([C@@H]2CCN(c3cc(F)ccc3[N+](=O)[O-])C2)CC1 ZINC000302794258 276198520 /nfs/dbraw/zinc/19/85/20/276198520.db2.gz IHHXJHDQZLOXJI-CQSZACIVSA-N 1 0 322.384 1.950 20 5 DDBDRO CCS(=O)(=O)C[C@@H](C)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449138142 276388638 /nfs/dbraw/zinc/38/86/38/276388638.db2.gz HGWKBIXLHSDJMH-VXGBXAGGSA-N 1 0 314.407 1.939 20 5 DDBDRO CN(C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)[C@@H]1CC[NH2+]C1 ZINC000179090578 276748406 /nfs/dbraw/zinc/74/84/06/276748406.db2.gz DWYDIKQNUNNPFP-CQSZACIVSA-N 1 0 315.333 1.214 20 5 DDBDRO CNC(=O)C(C)(C)C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000331002872 277222489 /nfs/dbraw/zinc/22/24/89/277222489.db2.gz KLRQNQXEIJFRNC-RYUDHWBXSA-N 1 0 323.397 1.637 20 5 DDBDRO C[NH2+]C[C@H]1CCCN1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000430594364 277285611 /nfs/dbraw/zinc/28/56/11/277285611.db2.gz VLXOSYLGHMRKBL-CYBMUJFWSA-N 1 0 320.393 1.916 20 5 DDBDRO C[C@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000050163263 278267527 /nfs/dbraw/zinc/26/75/27/278267527.db2.gz MYQVJFSRCOCQFD-QWRGUYRKSA-N 1 0 313.379 1.261 20 5 DDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CO)C1CCOCC1 ZINC000449232686 278298903 /nfs/dbraw/zinc/29/89/03/278298903.db2.gz ITOXGHVTTZUEHD-WFASDCNBSA-N 1 0 308.378 1.903 20 5 DDBDRO C[C@@H]([NH3+])[C@H](C)NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000449594087 278315557 /nfs/dbraw/zinc/31/55/57/278315557.db2.gz XEXQQKWNBXDWOE-RQJHMYQMSA-N 1 0 316.155 1.823 20 5 DDBDRO C[C@@]1(F)C[NH2+]CCN(c2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000420270761 279168054 /nfs/dbraw/zinc/16/80/54/279168054.db2.gz UZHXJLZIMSIQEW-CQSZACIVSA-N 1 0 305.313 1.676 20 5 DDBDRO CCN(CCC[NH+]1CCCC1)C(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000276500849 279181843 /nfs/dbraw/zinc/18/18/43/279181843.db2.gz UUIVXMVIASXYCO-UHFFFAOYSA-N 1 0 309.370 1.574 20 5 DDBDRO CC[C@@H](CNS(C)(=O)=O)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296658231 280145097 /nfs/dbraw/zinc/14/50/97/280145097.db2.gz ZNTCVBCUAYVASQ-JQWIXIFHSA-N 1 0 315.395 1.573 20 5 DDBDRO Cc1ccc(C)c(S(=O)(=O)N(C)[C@H]2CC[NH2+]C2)c1[N+](=O)[O-] ZINC000193271104 280798537 /nfs/dbraw/zinc/79/85/37/280798537.db2.gz FRLOKDJOFVELFO-NSHDSACASA-N 1 0 313.379 1.194 20 5 DDBDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000125963176 281221652 /nfs/dbraw/zinc/22/16/52/281221652.db2.gz HCUHFPIWISGYEL-JTQLQIEISA-N 1 0 324.356 1.920 20 5 DDBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000261962720 290250778 /nfs/dbraw/zinc/25/07/78/290250778.db2.gz OYWIQDUKAZAURI-GFCCVEGCSA-N 1 0 306.366 1.019 20 5 DDBDRO C[N@@H+]1CC[C@](O)(CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000358059669 299060403 /nfs/dbraw/zinc/06/04/03/299060403.db2.gz SEDRCFHVRMCBAM-INIZCTEOSA-N 1 0 321.377 1.055 20 5 DDBDRO COCC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CC[C@H](C)C1 ZINC000362153847 300017805 /nfs/dbraw/zinc/01/78/05/300017805.db2.gz GIWMKFKJKPWSKO-UONOGXRCSA-N 1 0 323.393 1.894 20 5 DDBDRO NC(=O)c1ccc(C[N@@H+]2CCC[C@@H]3COCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000362454461 300067690 /nfs/dbraw/zinc/06/76/90/300067690.db2.gz QNQJGKAMIONJMU-KGLIPLIRSA-N 1 0 319.361 1.695 20 5 DDBDRO COC(=O)c1cc(NC(=O)[C@H]2C[N@H+](C)C[C@H]2C)cc([N+](=O)[O-])c1 ZINC000362804440 300145056 /nfs/dbraw/zinc/14/50/56/300145056.db2.gz FLZNSQKZLGNWCZ-RNCFNFMXSA-N 1 0 321.333 1.518 20 5 DDBDRO COC(=O)c1cc(NC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)cc([N+](=O)[O-])c1 ZINC000362804439 300145302 /nfs/dbraw/zinc/14/53/02/300145302.db2.gz FLZNSQKZLGNWCZ-NOZJJQNGSA-N 1 0 321.333 1.518 20 5 DDBDRO O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000363439881 300267885 /nfs/dbraw/zinc/26/78/85/300267885.db2.gz OQXXLTKQQNAXAS-JTQLQIEISA-N 1 0 306.322 1.006 20 5 DDBDRO O=C(c1ccc([N+](=O)[O-])cn1)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000363877254 300320149 /nfs/dbraw/zinc/32/01/49/300320149.db2.gz UGILMMBVZONAEV-LNSITVRQSA-N 1 0 316.361 1.546 20 5 DDBDRO CCC[C@@H](C(=O)N1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1)[NH+](C)C ZINC000364366910 300384972 /nfs/dbraw/zinc/38/49/72/300384972.db2.gz AESNPONYBJLGTP-OCCSQVGLSA-N 1 0 323.397 1.685 20 5 DDBDRO O=C(CNc1ccccc1[N+](=O)[O-])N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000365236076 300488329 /nfs/dbraw/zinc/48/83/29/300488329.db2.gz AWBBHZLBXSWFAH-DGCLKSJQSA-N 1 0 304.350 1.217 20 5 DDBDRO Cc1cc(C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)c(N)c([N+](=O)[O-])c1 ZINC000365246046 300490490 /nfs/dbraw/zinc/49/04/90/300490490.db2.gz OCDOAGXKBVNONV-PWSUYJOCSA-N 1 0 304.350 1.309 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H]2CCO[C@H]2C2CC2)c1 ZINC000365346329 300501433 /nfs/dbraw/zinc/50/14/33/300501433.db2.gz VPZBCMOIEPJINS-BMFZPTHFSA-N 1 0 322.361 1.492 20 5 DDBDRO Cc1n[nH]c(C(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000299578647 300898546 /nfs/dbraw/zinc/89/85/46/300898546.db2.gz XEDPTULILQQYAX-GMTAPVOTSA-N 1 0 323.397 1.723 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000368351026 301008792 /nfs/dbraw/zinc/00/87/92/301008792.db2.gz ADTGRRZVQIYQJF-MRXNPFEDSA-N 1 0 319.361 1.771 20 5 DDBDRO CC1(C)C[N@H+](CCn2ccc([N+](=O)[O-])n2)C[C@@]2(CCOC2)O1 ZINC000369868898 301231944 /nfs/dbraw/zinc/23/19/44/301231944.db2.gz VTDUJVHWLSUALY-CQSZACIVSA-N 1 0 310.354 1.061 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@H](c3ccncn3)C2)c1 ZINC000370002080 301256143 /nfs/dbraw/zinc/25/61/43/301256143.db2.gz MNOPGTLXBIGEPM-LBPRGKRZSA-N 1 0 302.338 1.461 20 5 DDBDRO CC(C)(CCO)C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000575749225 304730708 /nfs/dbraw/zinc/73/07/08/304730708.db2.gz OHXRQUMFBBEQPA-LBPRGKRZSA-N 1 0 312.366 1.333 20 5 DDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000370365181 301324789 /nfs/dbraw/zinc/32/47/89/301324789.db2.gz DQGOFOZHJCZOTP-LBPRGKRZSA-N 1 0 318.377 1.877 20 5 DDBDRO Cc1ccc(C)c(S(=O)(=O)N2CC[C@H]([NH3+])[C@@H]2C)c1[N+](=O)[O-] ZINC000420419873 301553522 /nfs/dbraw/zinc/55/35/22/301553522.db2.gz DNQBWQMUYDQEAY-QWRGUYRKSA-N 1 0 313.379 1.322 20 5 DDBDRO CCc1ccc(C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)cc1[N+](=O)[O-] ZINC000373040492 301652541 /nfs/dbraw/zinc/65/25/41/301652541.db2.gz CEESTEJXZJGIRN-GXTWGEPZSA-N 1 0 303.362 1.981 20 5 DDBDRO C[C@@H]1C[C@H](C)N(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000397318191 302353332 /nfs/dbraw/zinc/35/33/32/302353332.db2.gz MCIQNUJOSRLGSM-SUNKGSAMSA-N 1 0 320.393 1.499 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C1CCSCC1 ZINC000518362267 302824896 /nfs/dbraw/zinc/82/48/96/302824896.db2.gz MKFUEHVQFCPCCX-LBPRGKRZSA-N 1 0 312.391 1.820 20 5 DDBDRO C[NH2+]C[C@H](C)CNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000357059783 306868677 /nfs/dbraw/zinc/86/86/77/306868677.db2.gz ATORZZJJEJQTOZ-NSHDSACASA-N 1 0 317.349 1.366 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000119137605 303052830 /nfs/dbraw/zinc/05/28/30/303052830.db2.gz WQLLFYOWECAABU-GFCCVEGCSA-N 1 0 321.381 1.419 20 5 DDBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](C)S(C)(=O)=O ZINC000537940349 303381405 /nfs/dbraw/zinc/38/14/05/303381405.db2.gz FTRDFASDVJBZJN-VXGBXAGGSA-N 1 0 314.407 1.939 20 5 DDBDRO CNc1ccc(C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000538714004 303390229 /nfs/dbraw/zinc/39/02/29/303390229.db2.gz GFVUDZNREXXXAJ-XHDPSFHLSA-N 1 0 318.377 1.803 20 5 DDBDRO CN(CCC[NH+](C)C)C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000540515124 303406427 /nfs/dbraw/zinc/40/64/27/303406427.db2.gz XQECCHHKRQKMIV-UHFFFAOYSA-N 1 0 323.349 1.390 20 5 DDBDRO [NH3+]C[C@@H]1CCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000050246569 303409595 /nfs/dbraw/zinc/40/95/95/303409595.db2.gz KHYUSOPMEYRBJD-QMMMGPOBSA-N 1 0 319.770 1.218 20 5 DDBDRO CS[C@@H]1CN(c2c([N+](=O)[O-])ncn2C)C[C@@H]1[NH+]1CCCC1 ZINC000548364325 303585414 /nfs/dbraw/zinc/58/54/14/303585414.db2.gz GWFHRJFDVIQJSO-WDEREUQCSA-N 1 0 311.411 1.344 20 5 DDBDRO C[C@H]1C[C@@H](NC(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000561159466 303832212 /nfs/dbraw/zinc/83/22/12/303832212.db2.gz PEZWBOCAWWOEFY-RYUDHWBXSA-N 1 0 322.365 1.413 20 5 DDBDRO COc1ccc(C(=O)N(C2CC2)C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000361960181 307011945 /nfs/dbraw/zinc/01/19/45/307011945.db2.gz WEMOCCCHFGCOCX-UHFFFAOYSA-N 1 0 319.361 1.960 20 5 DDBDRO O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000365275297 307063435 /nfs/dbraw/zinc/06/34/35/307063435.db2.gz OKKNGTSYIRISJT-GXSJLCMTSA-N 1 0 319.317 1.148 20 5 DDBDRO O=C1CC2(CN1)CC[NH+](Cc1ccc([N+](=O)[O-])c(F)c1)CC2 ZINC000367266767 307090725 /nfs/dbraw/zinc/09/07/25/307090725.db2.gz JOHRQQVKQXRBHH-UHFFFAOYSA-N 1 0 307.325 1.836 20 5 DDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](CC(N)=O)C1 ZINC000367377994 307092444 /nfs/dbraw/zinc/09/24/44/307092444.db2.gz NVERFTSOIPHBAB-MNOVXSKESA-N 1 0 320.349 1.119 20 5 DDBDRO Cc1c(NC(=O)CC[N@@H+]2C[C@H](O)C3(CC3)C2)cccc1[N+](=O)[O-] ZINC000372358651 307168534 /nfs/dbraw/zinc/16/85/34/307168534.db2.gz NUEHCSSKQJCHBP-AWEZNQCLSA-N 1 0 319.361 1.689 20 5 DDBDRO O=C(NCCNc1ccccc1[N+](=O)[O-])[C@@H]1C[C@]12CC[NH2+]C2 ZINC000372499563 307168908 /nfs/dbraw/zinc/16/89/08/307168908.db2.gz BJGCUVSMWCGULR-NHYWBVRUSA-N 1 0 304.350 1.123 20 5 DDBDRO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000373798623 307195502 /nfs/dbraw/zinc/19/55/02/307195502.db2.gz SNAQHXUZKQFKST-RRCSTGOVSA-N 1 0 315.373 1.795 20 5 DDBDRO C[NH+]1CCC([C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000374327918 307205936 /nfs/dbraw/zinc/20/59/36/307205936.db2.gz AGZMZNOXSKXSDH-CYBMUJFWSA-N 1 0 318.377 1.794 20 5 DDBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@@H](c2nnc[nH]2)C1 ZINC000374540570 307209653 /nfs/dbraw/zinc/20/96/53/307209653.db2.gz FXTKCAPBSKATHW-GFCCVEGCSA-N 1 0 317.349 1.971 20 5 DDBDRO O=C(Nc1ccncc1[N+](=O)[O-])N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000376875150 307257520 /nfs/dbraw/zinc/25/75/20/307257520.db2.gz ILLOSPNNURBPIE-MNOVXSKESA-N 1 0 305.338 1.160 20 5 DDBDRO Cc1ccc(NC(=O)C(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000415571463 307299130 /nfs/dbraw/zinc/29/91/30/307299130.db2.gz MPKMUFQQKLEHIA-GHMZBOCLSA-N 1 0 320.349 1.037 20 5 DDBDRO CNc1ccc(C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000516001712 307410283 /nfs/dbraw/zinc/41/02/83/307410283.db2.gz KYXWYUHJUDZKHZ-VXGBXAGGSA-N 1 0 304.350 1.318 20 5 DDBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@@H](O)COCC1CC1 ZINC000563416474 307969514 /nfs/dbraw/zinc/96/95/14/307969514.db2.gz FZRTYOOBPYNCCC-DOMZBBRYSA-N 1 0 306.362 1.959 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[NH2+]C2(C)C)c1 ZINC000563805081 307982654 /nfs/dbraw/zinc/98/26/54/307982654.db2.gz RZQPMUVHXXXRLE-CYBMUJFWSA-N 1 0 307.350 1.864 20 5 DDBDRO C[C@H](F)CC[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000566121362 308044355 /nfs/dbraw/zinc/04/43/55/308044355.db2.gz FAZNSTNKRCBJLA-JTQLQIEISA-N 1 0 304.343 1.706 20 5 DDBDRO COc1cc(C(=O)N2CC[C@H]([NH3+])C[C@H]2C)cc([N+](=O)[O-])c1OC ZINC000567058538 308069784 /nfs/dbraw/zinc/06/97/84/308069784.db2.gz XLYMOZRTEIKPCK-KOLCDFICSA-N 1 0 323.349 1.564 20 5 DDBDRO CC(C)CC[C@H](O)C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000572694779 308222146 /nfs/dbraw/zinc/22/21/46/308222146.db2.gz MPUNBIWMQJLNCA-HNNXBMFYSA-N 1 0 322.409 1.909 20 5 DDBDRO CC[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000573484721 308243443 /nfs/dbraw/zinc/24/34/43/308243443.db2.gz FQRVTTYVRMGKEO-QWHCGFSZSA-N 1 0 321.381 1.343 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCCc2cccs2)c1 ZINC000574033788 308259160 /nfs/dbraw/zinc/25/91/60/308259160.db2.gz RMFPUOVBRNHOHN-LBPRGKRZSA-N 1 0 310.379 1.436 20 5 DDBDRO CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000576253291 308301158 /nfs/dbraw/zinc/30/11/58/308301158.db2.gz KLTLSBLXMGDHNG-LBPRGKRZSA-N 1 0 322.365 1.642 20 5 DDBDRO Cc1ccc([C@@H](C)C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000576749159 308336436 /nfs/dbraw/zinc/33/64/36/308336436.db2.gz NGNZRHMOQXJVHD-XJKSGUPXSA-N 1 0 318.377 1.854 20 5 DDBDRO C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000577842054 308417736 /nfs/dbraw/zinc/41/77/36/308417736.db2.gz GZEUEIJAEPIDHJ-QVHKTLOISA-N 1 0 324.377 1.880 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H]2COc3ccc(F)cc32)c1 ZINC000579825430 308559511 /nfs/dbraw/zinc/55/95/11/308559511.db2.gz XLDYIHQNTMADPW-AAEUAGOBSA-N 1 0 322.296 1.015 20 5 DDBDRO COc1cc(C(=O)NCC2CC[NH2+]CC2)cc([N+](=O)[O-])c1OC ZINC000579946051 308568526 /nfs/dbraw/zinc/56/85/26/308568526.db2.gz NPDWXNNTVJXOEE-UHFFFAOYSA-N 1 0 323.349 1.341 20 5 DDBDRO O=C(NCC[C@@H]1CCC[NH2+]C1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000581305196 325827206 /nfs/dbraw/zinc/82/72/06/325827206.db2.gz VAMSRAONLDIVQG-JTQLQIEISA-N 1 0 321.333 1.443 20 5 DDBDRO C[C@@H]1CC[C@@H](C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)O1 ZINC000583626294 336002590 /nfs/dbraw/zinc/00/25/90/336002590.db2.gz LIUFUWWKIIQNMA-ZLDLUXBVSA-N 1 0 310.350 1.492 20 5 DDBDRO CC[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccncc1 ZINC000582778297 337153576 /nfs/dbraw/zinc/15/35/76/337153576.db2.gz PZTLDDIQPKLLLL-UONOGXRCSA-N 1 0 305.338 1.288 20 5 DDBDRO COc1ccc(CC(=O)N2CCC[C@H]3C[NH2+]C[C@H]32)cc1[N+](=O)[O-] ZINC000582826204 337206022 /nfs/dbraw/zinc/20/60/22/337206022.db2.gz HEGOTHGCJHSROK-GXTWGEPZSA-N 1 0 319.361 1.356 20 5 DDBDRO COC(=O)CC1([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000583148449 337246232 /nfs/dbraw/zinc/24/62/32/337246232.db2.gz BPWVOLOZTIFAQM-LBPRGKRZSA-N 1 0 324.333 1.020 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@H]2CC[C@H](CO)CC2)c1 ZINC000583872162 337365076 /nfs/dbraw/zinc/36/50/76/337365076.db2.gz QVPLZAYQNOOUTO-UMVBOHGHSA-N 1 0 324.377 1.475 20 5 DDBDRO Cc1ccncc1C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000562998940 484328404 /nfs/dbraw/zinc/32/84/04/484328404.db2.gz VHARHSDKQHZEKK-AWEZNQCLSA-N 1 0 317.345 1.828 20 5 DDBDRO COc1cc(C[N@H+]2[C@@H]3CC[C@H]2CN(C)C(=O)C3)ccc1[N+](=O)[O-] ZINC000451871408 533830981 /nfs/dbraw/zinc/83/09/81/533830981.db2.gz RJTGLJQXLYCUSO-OLZOCXBDSA-N 1 0 319.361 1.799 20 5 DDBDRO COc1cc(C[NH2+]C[C@H]2CCN(C)C(=O)C2)c([N+](=O)[O-])cc1O ZINC000424182867 533883991 /nfs/dbraw/zinc/88/39/91/533883991.db2.gz ALVWHQCDFXCTCU-JTQLQIEISA-N 1 0 323.349 1.267 20 5 DDBDRO COc1cc(C[NH2+][C@@H]2CCC[C@@H](CO)C2)c([N+](=O)[O-])cc1O ZINC000414572660 533898134 /nfs/dbraw/zinc/89/81/34/533898134.db2.gz LODZMVCTYDMASO-ZYHUDNBSSA-N 1 0 310.350 1.950 20 5 DDBDRO C[C@H]1COCC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000331928304 534022380 /nfs/dbraw/zinc/02/23/80/534022380.db2.gz DCCVQIMWZFLELA-OLZOCXBDSA-N 1 0 310.350 1.303 20 5 DDBDRO C[C@H]1[NH2+]CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@H]1C ZINC000436051726 534122021 /nfs/dbraw/zinc/12/20/21/534122021.db2.gz BHPWCIOIMSPPOU-NEPJUHHUSA-N 1 0 318.377 1.166 20 5 DDBDRO COC(=O)c1cccc(OC[C@H](O)C[N@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000414163800 534279994 /nfs/dbraw/zinc/27/99/94/534279994.db2.gz GOUIPMMWBHIYEH-LLVKDONJSA-N 1 0 324.333 1.215 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCC[NH2+]C1CC1 ZINC000415860927 534336748 /nfs/dbraw/zinc/33/67/48/534336748.db2.gz PASJIHOOTKKRLG-UHFFFAOYSA-N 1 0 320.349 1.100 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000332631016 534340520 /nfs/dbraw/zinc/34/05/20/534340520.db2.gz DPJDROJSZVTDIR-NWDGAFQWSA-N 1 0 304.350 1.976 20 5 DDBDRO [NH3+]C[C@H]1CCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000430930458 534691649 /nfs/dbraw/zinc/69/16/49/534691649.db2.gz AWHSKFBNUAEYBE-SECBINFHSA-N 1 0 312.757 1.467 20 5 DDBDRO CC(C)(C)c1ccc(NC(=O)N(CC[NH3+])CCO)cc1[N+](=O)[O-] ZINC000415688496 526780816 /nfs/dbraw/zinc/78/08/16/526780816.db2.gz BZDJPWVKRAACRQ-UHFFFAOYSA-N 1 0 324.381 1.677 20 5 DDBDRO CC(C)CNC(=O)NC(=O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000451100969 528046474 /nfs/dbraw/zinc/04/64/74/528046474.db2.gz ZSRKCKREQUOJSM-NSHDSACASA-N 1 0 322.365 1.727 20 5 DDBDRO CCCC[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])n2C)CC1 ZINC000330568860 528460667 /nfs/dbraw/zinc/46/06/67/528460667.db2.gz MRFIKVPXLFKHOE-UHFFFAOYSA-N 1 0 308.382 1.928 20 5 DDBDRO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000330990984 529064068 /nfs/dbraw/zinc/06/40/68/529064068.db2.gz AUQMGFJLBIYUPT-GFCCVEGCSA-N 1 0 323.397 1.469 20 5 DDBDRO C[C@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC[N@@H+]1C ZINC000820665054 599589761 /nfs/dbraw/zinc/58/97/61/599589761.db2.gz DLEOMGJHWNNZIY-DTWKUNHWSA-N 1 0 318.341 1.065 20 5 DDBDRO Cn1cncc1CCNC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000121357366 696708920 /nfs/dbraw/zinc/70/89/20/696708920.db2.gz WXXBLPAUCBONPA-UHFFFAOYSA-N 1 0 308.725 1.954 20 5 DDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)NCC12CCC[NH+]1CCC2 ZINC000798252595 700052653 /nfs/dbraw/zinc/05/26/53/700052653.db2.gz ZKPOXPIODIFUMG-UHFFFAOYSA-N 1 0 304.350 1.535 20 5 DDBDRO COc1cc(F)c([N+](=O)[O-])c(NC[C@H]2C[N@H+](C)CCN2C)c1 ZINC000747218015 700060438 /nfs/dbraw/zinc/06/04/38/700060438.db2.gz OPLASIBCCBYSDK-JTQLQIEISA-N 1 0 312.345 1.400 20 5 DDBDRO CC(C)[C@@H](C(=O)OCCn1cc([N+](=O)[O-])cn1)[NH+]1CCCC1 ZINC000748129139 700101402 /nfs/dbraw/zinc/10/14/02/700101402.db2.gz OLOKWWGNVASYSC-ZDUSSCGKSA-N 1 0 310.354 1.455 20 5 DDBDRO CCCC[C@@H](C[NH3+])NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000125005495 696748174 /nfs/dbraw/zinc/74/81/74/696748174.db2.gz NSFMBXXDJKAUQC-VIFPVBQESA-N 1 0 319.358 1.530 20 5 DDBDRO Cc1ncc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)s1 ZINC000983650537 697286399 /nfs/dbraw/zinc/28/63/99/697286399.db2.gz VUFOCNPWKQGYLV-FPQZTECRSA-N 1 0 324.406 1.101 20 5 DDBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)NC[C@@H]1CCC[NH2+]1 ZINC000178922011 697431150 /nfs/dbraw/zinc/43/11/50/697431150.db2.gz NZVRAEVGTNQAQR-VIFPVBQESA-N 1 0 319.770 1.279 20 5 DDBDRO C[C@H]([NH2+]CC(=O)N1CCO[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000180442029 697448835 /nfs/dbraw/zinc/44/88/35/697448835.db2.gz DXPITZARENTOPK-NEPJUHHUSA-N 1 0 307.350 1.493 20 5 DDBDRO C[NH+](C)C1CC(NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000773486917 697767358 /nfs/dbraw/zinc/76/73/58/697767358.db2.gz LEZBRODSKAPUGS-UHFFFAOYSA-N 1 0 303.322 1.294 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NOC1CC[NH+](C)CC1 ZINC000773549103 697777590 /nfs/dbraw/zinc/77/75/90/697777590.db2.gz HPERHSAKLPFUAA-UHFFFAOYSA-N 1 0 322.365 1.416 20 5 DDBDRO Cc1nc2n(n1)C[C@@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC2 ZINC000749686060 700177106 /nfs/dbraw/zinc/17/71/06/700177106.db2.gz CGYVJTRLCBTAQS-GXTWGEPZSA-N 1 0 317.349 1.133 20 5 DDBDRO CCOCC[N@H+](CC)Cn1nc(C)c2cc([N+](=O)[O-])cnc21 ZINC000749952107 700194014 /nfs/dbraw/zinc/19/40/14/700194014.db2.gz SYVGGTKMJUFXFA-UHFFFAOYSA-N 1 0 307.354 1.964 20 5 DDBDRO C[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C[NH3+] ZINC000253194318 698404517 /nfs/dbraw/zinc/40/45/17/698404517.db2.gz PVTLUOUXTVLZNX-WDEREUQCSA-N 1 0 313.379 1.200 20 5 DDBDRO Cn1ccnc1[C@@H](N[C@H]1CC[N@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000780764752 698558364 /nfs/dbraw/zinc/55/83/64/698558364.db2.gz PVXHBMAJFBIZAR-ZFWWWQNUSA-N 1 0 315.377 1.711 20 5 DDBDRO Cn1ccnc1[C@H](N[C@H]1CC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000780765199 698558550 /nfs/dbraw/zinc/55/85/50/698558550.db2.gz WYDDVCKNDXLRGL-DZGCQCFKSA-N 1 0 315.377 1.711 20 5 DDBDRO O=C(CC[NH2+][C@@H](CO)C1CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000782536799 698735542 /nfs/dbraw/zinc/73/55/42/698735542.db2.gz YGOMURPGEGYFPO-ZDUSSCGKSA-N 1 0 311.313 1.423 20 5 DDBDRO Cc1c(NC(=O)CC[N@@H+]2C[C@@H]3C[C@]3(CO)C2)cccc1[N+](=O)[O-] ZINC000782603119 698747811 /nfs/dbraw/zinc/74/78/11/698747811.db2.gz GBONWZYDSFKGSG-BLLLJJGKSA-N 1 0 319.361 1.546 20 5 DDBDRO O=C1NC2(CO1)CC[NH+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000784455204 698939958 /nfs/dbraw/zinc/93/99/58/698939958.db2.gz WKSMRHMRWFLYEY-ZDUSSCGKSA-N 1 0 321.333 1.203 20 5 DDBDRO C[NH+](C)C[C@@]1(O)CCN(c2c(Cl)cncc2[N+](=O)[O-])C1 ZINC000713687261 699266744 /nfs/dbraw/zinc/26/67/44/699266744.db2.gz HAGGWXRHGSFDLI-LBPRGKRZSA-N 1 0 300.746 1.146 20 5 DDBDRO C[C@@H](CN1CCOCC1)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000726607227 699370092 /nfs/dbraw/zinc/37/00/92/699370092.db2.gz JPBJQZJRLJRGCW-SDQPKGBYSA-N 1 0 305.378 1.918 20 5 DDBDRO CC[NH+](CC)C[C@H](C)NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000790881087 699601589 /nfs/dbraw/zinc/60/15/89/699601589.db2.gz VIXFANDMJXABPY-VIFPVBQESA-N 1 0 321.424 1.665 20 5 DDBDRO CN(CC1CC[NH+](CC[N+](=O)[O-])CC1)C(=O)OC(C)(C)C ZINC000791053006 699608820 /nfs/dbraw/zinc/60/88/20/699608820.db2.gz RPGRINKQOQTUHP-UHFFFAOYSA-N 1 0 301.387 1.842 20 5 DDBDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000794576599 699817570 /nfs/dbraw/zinc/81/75/70/699817570.db2.gz KOZYBHYTBVIACK-MGPQQGTHSA-N 1 0 307.350 1.133 20 5 DDBDRO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000801840422 700344728 /nfs/dbraw/zinc/34/47/28/700344728.db2.gz MSQAANSBTJCDLO-QMMMGPOBSA-N 1 0 308.313 1.283 20 5 DDBDRO COC(=O)C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000754512334 700506397 /nfs/dbraw/zinc/50/63/97/700506397.db2.gz CPKPHFLYVJFBAG-CQSZACIVSA-N 1 0 308.334 1.905 20 5 DDBDRO O=C(CC[NH2+][C@H](CCO)C1CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000771800463 701331314 /nfs/dbraw/zinc/33/13/14/701331314.db2.gz OWWSFXRBEAFSSD-CQSZACIVSA-N 1 0 307.350 1.674 20 5 DDBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[NH2+][C@H](CO)C1CC1 ZINC000771805705 701331759 /nfs/dbraw/zinc/33/17/59/701331759.db2.gz TYLNDRFLEJUJGC-GFCCVEGCSA-N 1 0 321.333 1.253 20 5 DDBDRO CC[NH+](CC)[C@H](CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1ccsc1 ZINC000839526348 701725133 /nfs/dbraw/zinc/72/51/33/701725133.db2.gz DYODSCVJVDHVKK-JHJVBQTASA-N 1 0 311.407 1.912 20 5 DDBDRO C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000839693544 701786693 /nfs/dbraw/zinc/78/66/93/701786693.db2.gz DHMOEQNNMWIJQT-NUEKZKHPSA-N 1 0 317.389 1.775 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)O[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000810839420 701859777 /nfs/dbraw/zinc/85/97/77/701859777.db2.gz AYZLUZILNCPNHH-OLZOCXBDSA-N 1 0 322.365 1.660 20 5 DDBDRO Cc1ccc(CNC(=O)[C@H]2C[C@@]23CCC[NH2+]C3)cc1[N+](=O)[O-] ZINC000867996228 701879640 /nfs/dbraw/zinc/87/96/40/701879640.db2.gz UVGWOYZZFYIFNF-CZUORRHYSA-N 1 0 303.362 1.909 20 5 DDBDRO C[C@]1([NH3+])CCN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC000868081615 701930844 /nfs/dbraw/zinc/93/08/44/701930844.db2.gz ZATUQJDTNSQDGW-HNNXBMFYSA-N 1 0 303.362 1.966 20 5 DDBDRO CC[C@@H]1C[N@H+](C)CCN1Cn1nc(C)c2cc([N+](=O)[O-])cnc21 ZINC000840092512 701965381 /nfs/dbraw/zinc/96/53/81/701965381.db2.gz WJGLVTXYVGKGIB-GFCCVEGCSA-N 1 0 318.381 1.631 20 5 DDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000866204653 706648081 /nfs/dbraw/zinc/64/80/81/706648081.db2.gz FMUURESLXBONGC-SMDDNHRTSA-N 1 0 318.377 1.485 20 5 DDBDRO COC(=O)c1cnc(N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)c([N+](=O)[O-])c1 ZINC000866206647 706648588 /nfs/dbraw/zinc/64/85/88/706648588.db2.gz FDJOIRCKPAVCPR-JQWIXIFHSA-N 1 0 320.349 1.307 20 5 DDBDRO C[NH+](C)CCNC(=S)NNc1cc(Cl)ccc1[N+](=O)[O-] ZINC000840790236 702239530 /nfs/dbraw/zinc/23/95/30/702239530.db2.gz WOQQUVGGBIIVQU-UHFFFAOYSA-N 1 0 317.802 1.601 20 5 DDBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1CCCCNC1=O ZINC000866230694 706655200 /nfs/dbraw/zinc/65/52/00/706655200.db2.gz ZMPDLAOYOJLEQI-GXFFZTMASA-N 1 0 309.341 1.923 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCC1([NH+](C)C)CC1 ZINC000841453134 702453934 /nfs/dbraw/zinc/45/39/34/702453934.db2.gz KGPCAEFIAXRLAL-UHFFFAOYSA-N 1 0 306.366 1.485 20 5 DDBDRO Cc1cc(C(=O)N2CCC3(CC[NH2+]3)CC2)c(N)c([N+](=O)[O-])c1 ZINC000818022360 702557021 /nfs/dbraw/zinc/55/70/21/702557021.db2.gz VQUDAWDTEQZVOB-UHFFFAOYSA-N 1 0 304.350 1.454 20 5 DDBDRO CCN1C[C@H]([NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])CC1=O ZINC000866367102 706682931 /nfs/dbraw/zinc/68/29/31/706682931.db2.gz FUMZHSYBSFDLDX-ZWNOBZJWSA-N 1 0 309.341 1.875 20 5 DDBDRO CN(CC(C)(C)C[NH3+])C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000818531883 702661068 /nfs/dbraw/zinc/66/10/68/702661068.db2.gz TZWRJDSZFDGBEP-UHFFFAOYSA-N 1 0 319.365 1.388 20 5 DDBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCN1CC[C@@H](O)C1 ZINC000866396730 706689313 /nfs/dbraw/zinc/68/93/13/706689313.db2.gz ASAPKUDWEULJHX-SMDDNHRTSA-N 1 0 311.357 1.321 20 5 DDBDRO Cc1cc(S(=O)(=O)N[C@H](C)C[C@@H](C)[NH3+])cc([N+](=O)[O-])c1F ZINC000842915894 702790813 /nfs/dbraw/zinc/79/08/13/702790813.db2.gz WBXPYLASRRNQJK-RKDXNWHRSA-N 1 0 319.358 1.446 20 5 DDBDRO CN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@H](C[NH3+])C1CC1 ZINC000843386342 702871123 /nfs/dbraw/zinc/87/11/23/702871123.db2.gz HFKYPGYFSSCQDQ-CQSZACIVSA-N 1 0 324.356 1.732 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)cc1[N+](=O)[O-] ZINC000843463937 702887619 /nfs/dbraw/zinc/88/76/19/702887619.db2.gz KHOWYKIOBNBEPJ-LDYMZIIASA-N 1 0 322.321 1.539 20 5 DDBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000843508101 702897030 /nfs/dbraw/zinc/89/70/30/702897030.db2.gz PXIBJVFJZUUQJP-UWVGGRQHSA-N 1 0 305.338 1.187 20 5 DDBDRO Cc1nn(CCC(=O)NCCCCCC[NH3+])c(C)c1[N+](=O)[O-] ZINC000843510335 702897363 /nfs/dbraw/zinc/89/73/63/702897363.db2.gz MVWTZSACYQXWEL-UHFFFAOYSA-N 1 0 311.386 1.434 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1-c1noc([C@H]2CC[C@@H](C3CC3)[NH2+]2)n1 ZINC000844917645 703084925 /nfs/dbraw/zinc/08/49/25/703084925.db2.gz UUAURHADQRRFLL-DTWKUNHWSA-N 1 0 304.310 1.581 20 5 DDBDRO COCC[NH+]1CCC(OC(=O)c2ccc([N+](=O)[O-])n2C)CC1 ZINC000847880993 703480124 /nfs/dbraw/zinc/48/01/24/703480124.db2.gz FOBZLQCRVJYSLN-UHFFFAOYSA-N 1 0 311.338 1.201 20 5 DDBDRO O=C1NCC[C@@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000850481716 703733303 /nfs/dbraw/zinc/73/33/03/703733303.db2.gz NHACYFXRMNGPDK-AWEZNQCLSA-N 1 0 304.350 1.042 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C3CC(CO)C3)CC2)cc1 ZINC000850581752 703736924 /nfs/dbraw/zinc/73/69/24/703736924.db2.gz YZJXDWJDUUASSW-UHFFFAOYSA-N 1 0 305.378 1.924 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@H+](CC(C)(C)O)C2)c1 ZINC000869779994 703850285 /nfs/dbraw/zinc/85/02/85/703850285.db2.gz BBOQSRCJMJPNNP-LBPRGKRZSA-N 1 0 321.377 1.478 20 5 DDBDRO CN(C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)C1(C[NH3+])CCC1 ZINC000818596190 703934647 /nfs/dbraw/zinc/93/46/47/703934647.db2.gz BTYBSGNMDAFNFT-UHFFFAOYSA-N 1 0 317.349 1.284 20 5 DDBDRO COc1ccc(OCCN2CCC[C@@H]3[NH2+]CC[C@@H]32)c([N+](=O)[O-])c1 ZINC000866723129 706776225 /nfs/dbraw/zinc/77/62/25/706776225.db2.gz DPZMMSNTLWYVNN-KBPBESRZSA-N 1 0 321.377 1.809 20 5 DDBDRO C[C@@H]1C[C@@H]1N1C[C@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000819123036 704072501 /nfs/dbraw/zinc/07/25/01/704072501.db2.gz SLFJPZLAWGPPRF-WAZAZEMKSA-N 1 0 319.361 1.227 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[NH2+]C[C@@H](O)c2cccc(Cl)c2)c1 ZINC000819176686 704081603 /nfs/dbraw/zinc/08/16/03/704081603.db2.gz MICSWRIVCIMVAG-CYBMUJFWSA-N 1 0 310.741 1.768 20 5 DDBDRO Cc1ccc(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)c(=O)n1C ZINC000819270025 704097921 /nfs/dbraw/zinc/09/79/21/704097921.db2.gz SBUVNMUEOHUJFF-HNNXBMFYSA-N 1 0 317.345 1.425 20 5 DDBDRO C[NH+](C)C[C@H]1CCN(C(=O)[C@@](C)(N)c2cccc([N+](=O)[O-])c2)C1 ZINC000870928364 704172239 /nfs/dbraw/zinc/17/22/39/704172239.db2.gz FEHZBXCNWLIDLK-WBMJQRKESA-N 1 0 320.393 1.179 20 5 DDBDRO C[NH2+]C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000852920226 704172804 /nfs/dbraw/zinc/17/28/04/704172804.db2.gz OKIMFHZMTLJKKQ-LLVKDONJSA-N 1 0 306.366 1.533 20 5 DDBDRO C[NH+](C)C1(C)CCC(NC(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000871357400 704273918 /nfs/dbraw/zinc/27/39/18/704273918.db2.gz ICXRJNSBZHOXSZ-UHFFFAOYSA-N 1 0 309.370 1.170 20 5 DDBDRO CN(c1ccccc1)[C@H]1CCN(Cn2cc([N+](=O)[O-])cn2)C1 ZINC000853585764 704276049 /nfs/dbraw/zinc/27/60/49/704276049.db2.gz SQLDILKXHRNFRW-AWEZNQCLSA-N 1 0 301.350 1.960 20 5 DDBDRO COC(=O)Cc1ccc(N(C)CC2C[NH+](C)C2)c([N+](=O)[O-])c1 ZINC000853825013 704321738 /nfs/dbraw/zinc/32/17/38/704321738.db2.gz VLCBSYBJVMHRBE-UHFFFAOYSA-N 1 0 307.350 1.308 20 5 DDBDRO C/C(=C/C(=O)N[C@H](CO)C[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000854464404 704401720 /nfs/dbraw/zinc/40/17/20/704401720.db2.gz KCWPVELHLYUVIX-ZWXCPPHNSA-N 1 0 307.350 1.037 20 5 DDBDRO CC[C@@H]([NH3+])CNC(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857764888 704621997 /nfs/dbraw/zinc/62/19/97/704621997.db2.gz DANMPTANBGRHGP-MRVPVSSYSA-N 1 0 303.265 1.420 20 5 DDBDRO Cc1ccc(S(=O)(=O)N(C)C[C@H](C)[NH3+])c(C)c1[N+](=O)[O-] ZINC000858638695 704738304 /nfs/dbraw/zinc/73/83/04/704738304.db2.gz CMMGENDIFZWAFZ-VIFPVBQESA-N 1 0 301.368 1.179 20 5 DDBDRO Cc1ccc(C)c(S(=O)(=O)N(C)C[C@@H](C)[NH3+])c1[N+](=O)[O-] ZINC000858640566 704738545 /nfs/dbraw/zinc/73/85/45/704738545.db2.gz PIBZYNIRETUNCE-SNVBAGLBSA-N 1 0 301.368 1.179 20 5 DDBDRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000874836667 705193596 /nfs/dbraw/zinc/19/35/96/705193596.db2.gz GJWXXFVAYULFIT-LSDHHAIUSA-N 1 0 303.362 1.832 20 5 DDBDRO O=C(NCCC[NH+]1CCCC1)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000823931492 705341088 /nfs/dbraw/zinc/34/10/88/705341088.db2.gz KOQJIQXNAPXUMH-AWEZNQCLSA-N 1 0 307.350 1.230 20 5 DDBDRO C[C@@H]1C[C@@H](NC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000823987721 705349966 /nfs/dbraw/zinc/34/99/66/705349966.db2.gz QREMFNOKEWKNCH-KOLCDFICSA-N 1 0 307.354 1.781 20 5 DDBDRO Cc1c(C(=O)N[C@@H](C)CCC[NH3+])cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000834813888 707127483 /nfs/dbraw/zinc/12/74/83/707127483.db2.gz YZVMJDRQFUTNOB-QMMMGPOBSA-N 1 0 324.337 1.977 20 5 DDBDRO C[NH+](C)[C@@H]1C[C@@H](NC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C1(C)C ZINC000824094909 705374570 /nfs/dbraw/zinc/37/45/70/705374570.db2.gz NOCCNTXPQNELKY-MGPQQGTHSA-N 1 0 321.377 1.473 20 5 DDBDRO Cc1cc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)c(N)c([N+](=O)[O-])c1 ZINC000861911419 705601668 /nfs/dbraw/zinc/60/16/68/705601668.db2.gz PRBKUDPMUOPKDI-YABSGUDNSA-N 1 0 304.350 1.117 20 5 DDBDRO CN(CC[N@H+](C)CCO)C(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000825526995 705687967 /nfs/dbraw/zinc/68/79/67/705687967.db2.gz KVCMCOYSMUXBHL-HUUCEWRRSA-N 1 0 321.377 1.081 20 5 DDBDRO C[NH+]1CCC(CCNC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000825560478 705693245 /nfs/dbraw/zinc/69/32/45/705693245.db2.gz MRLMAFZNJHFXJO-HNNXBMFYSA-N 1 0 321.377 1.476 20 5 DDBDRO CC[NH+]1CCN(CC(=O)NCc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000825648604 705708658 /nfs/dbraw/zinc/70/86/58/705708658.db2.gz VKKFYUXAEMFVGB-UHFFFAOYSA-N 1 0 320.393 1.157 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3ccc(F)cc3[N+](=O)[O-])CC[C@H]21 ZINC000827231537 705956422 /nfs/dbraw/zinc/95/64/22/705956422.db2.gz HIHXYACCLVHVAP-TZMCWYRMSA-N 1 0 321.352 1.829 20 5 DDBDRO CC(C)(C)[S@](=O)CC[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877056773 705973717 /nfs/dbraw/zinc/97/37/17/705973717.db2.gz WPUVRLMUXLQKBV-CNWXXMQWSA-N 1 0 314.411 1.632 20 5 DDBDRO CCc1n[nH]c(C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000827328918 705976388 /nfs/dbraw/zinc/97/63/88/705976388.db2.gz FTMIGKANZPNMFK-MWLCHTKSSA-N 1 0 307.354 1.047 20 5 DDBDRO CN(C(=O)CN1CC[C@@H]2CC[C@@]21C[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000903858668 711305273 /nfs/dbraw/zinc/30/52/73/711305273.db2.gz XQQHKLUJDYMUGN-BLLLJJGKSA-N 1 0 318.377 1.371 20 5 DDBDRO Cc1ccc(CNC(=O)CO[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000877242020 706030607 /nfs/dbraw/zinc/03/06/07/706030607.db2.gz ZUHSPVHOAJPYIE-CYBMUJFWSA-N 1 0 307.350 1.288 20 5 DDBDRO Cc1c(CC(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)cccc1[N+](=O)[O-] ZINC000877277818 706045737 /nfs/dbraw/zinc/04/57/37/706045737.db2.gz PDFGUWFMSHTTTB-DZGCQCFKSA-N 1 0 303.362 1.799 20 5 DDBDRO O=C(CNc1ccccc1[N+](=O)[O-])N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877280364 706046620 /nfs/dbraw/zinc/04/66/20/706046620.db2.gz HAAMCTDGTVWDJP-DGCLKSJQSA-N 1 0 304.350 1.360 20 5 DDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@@H]([C@@H](CO)C3CC3)C3CC3)C2)c1 ZINC000877566844 706144463 /nfs/dbraw/zinc/14/44/63/706144463.db2.gz RDZPTMTVXGEQFK-FPCDFSMTSA-N 1 0 320.393 1.882 20 5 DDBDRO C[C@@H](NCC(=O)NC1CC[NH+](C)CC1)c1ccccc1[N+](=O)[O-] ZINC000878374341 706372102 /nfs/dbraw/zinc/37/21/02/706372102.db2.gz SXNYJOSCXCRAJO-GFCCVEGCSA-N 1 0 320.393 1.456 20 5 DDBDRO [NH3+][C@H](CC(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)C1CC1 ZINC000829937586 706421629 /nfs/dbraw/zinc/42/16/29/706421629.db2.gz MTCZIXARNZVOAP-WCQYABFASA-N 1 0 319.365 1.130 20 5 DDBDRO CCCn1cc(CNCCOc2ccc([N+](=O)[O-])cc2)nn1 ZINC000865456205 706436116 /nfs/dbraw/zinc/43/61/16/706436116.db2.gz SOERWHUHAQSAAI-UHFFFAOYSA-N 1 0 305.338 1.765 20 5 DDBDRO C[C@H]1C[N@H+](CCCNC(=O)CCC(C)(C)[N+](=O)[O-])CCCO1 ZINC000830486482 706524709 /nfs/dbraw/zinc/52/47/09/706524709.db2.gz FNXDMEJCIZZFNN-ZDUSSCGKSA-N 1 0 315.414 1.439 20 5 DDBDRO C[NH+](C)C1(CNC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CCC1 ZINC000830618763 706546631 /nfs/dbraw/zinc/54/66/31/706546631.db2.gz KGNHJIITQDGGRR-ZDUSSCGKSA-N 1 0 307.350 1.229 20 5 DDBDRO CC(=O)c1ccc(N2CCC[C@](O)(C[NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000865924916 706565424 /nfs/dbraw/zinc/56/54/24/706565424.db2.gz YAUPPIMTXJTLEZ-INIZCTEOSA-N 1 0 321.377 1.690 20 5 DDBDRO C[C@]1(C(F)(F)F)CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000880001596 706850229 /nfs/dbraw/zinc/85/02/29/706850229.db2.gz RCJQICRFJDBYKI-MNOVXSKESA-N 1 0 322.287 1.427 20 5 DDBDRO CN(C(=O)C[N@@H+]1CC[C@H](C(C)(C)O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000880144505 706891257 /nfs/dbraw/zinc/89/12/57/706891257.db2.gz GLKQVKCTLZBGTF-LBPRGKRZSA-N 1 0 321.377 1.650 20 5 DDBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@H]1C[C@@H]2COC[C@@H]2O1 ZINC000926945095 712921824 /nfs/dbraw/zinc/92/18/24/712921824.db2.gz SXWODINYEMKDHY-XYJYNPGVSA-N 1 0 304.346 1.976 20 5 DDBDRO C[NH+](C)CCc1cn(C[C@H](O)c2cccc([N+](=O)[O-])c2)nn1 ZINC000881410537 707243903 /nfs/dbraw/zinc/24/39/03/707243903.db2.gz CZTWOQGJHCUMJT-AWEZNQCLSA-N 1 0 305.338 1.024 20 5 DDBDRO C[C@@H]1CCC[C@@H](C2C[NH+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)C1 ZINC000871991039 707271166 /nfs/dbraw/zinc/27/11/66/707271166.db2.gz NLVFWBYFIKQCBZ-XJKCOSOUSA-N 1 0 322.409 1.910 20 5 DDBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@H](O)C[NH+](C)C ZINC000872032918 707283611 /nfs/dbraw/zinc/28/36/11/707283611.db2.gz BZTVZOTXOXNEIV-PWSUYJOCSA-N 1 0 313.423 1.890 20 5 DDBDRO CC1(C)CO[C@@H](C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000872243748 707346423 /nfs/dbraw/zinc/34/64/23/707346423.db2.gz UZMBYGKDVPZFRK-QWHCGFSZSA-N 1 0 324.377 1.739 20 5 DDBDRO O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1N1CC[N@@H+]2CC[C@H]1C2 ZINC000882409596 707627181 /nfs/dbraw/zinc/62/71/81/707627181.db2.gz QZPSDNZAHSPUOM-ZDUSSCGKSA-N 1 0 316.361 1.381 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H](CO)[C@H]1CCOC1 ZINC000873119726 707737767 /nfs/dbraw/zinc/73/77/67/707737767.db2.gz OXTUNNSCOPLEGF-UONOGXRCSA-N 1 0 308.378 1.946 20 5 DDBDRO Cc1c(C[NH2+]C[C@H]2CN(C3CC3)C(=O)O2)cccc1[N+](=O)[O-] ZINC000873132866 707743861 /nfs/dbraw/zinc/74/38/61/707743861.db2.gz IPQPSJOHPAPYPQ-ZDUSSCGKSA-N 1 0 305.334 1.976 20 5 DDBDRO Cc1c(C[NH2+][C@H]2CCN(CC(C)(C)O)C2)cccc1[N+](=O)[O-] ZINC000873145814 707748118 /nfs/dbraw/zinc/74/81/18/707748118.db2.gz GQEYBIPWAZVBJM-AWEZNQCLSA-N 1 0 307.394 1.838 20 5 DDBDRO CCN1CC[C@@H]1CNS(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000882766591 707783338 /nfs/dbraw/zinc/78/33/38/707783338.db2.gz LOBKNDWUEMTVDU-LLVKDONJSA-N 1 0 313.379 1.276 20 5 DDBDRO Cc1cc(N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)ccc1[N+](=O)[O-] ZINC000897222103 708259292 /nfs/dbraw/zinc/25/92/92/708259292.db2.gz RPKBHMHOVNLVHC-HOTGVXAUSA-N 1 0 305.378 1.939 20 5 DDBDRO C[C@@H](C[NH2+][C@@H]1CCCS(=O)(=O)C1)c1ccccc1[N+](=O)[O-] ZINC000897463968 708339690 /nfs/dbraw/zinc/33/96/90/708339690.db2.gz DKPKORRPFJNYHW-NWDGAFQWSA-N 1 0 312.391 1.865 20 5 DDBDRO O=[N+]([O-])c1ncccc1CN1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000886238610 708721565 /nfs/dbraw/zinc/72/15/65/708721565.db2.gz DHVLYARHUCUOBX-UHFFFAOYSA-N 1 0 320.393 1.316 20 5 DDBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000886578125 708780370 /nfs/dbraw/zinc/78/03/70/708780370.db2.gz KUSVPNXLTQARLO-AZHAFVHUSA-N 1 0 319.361 1.625 20 5 DDBDRO C[C@H]1CN(c2cc[nH+]cc2)CCN1CCn1cc([N+](=O)[O-])cn1 ZINC000887133239 708967332 /nfs/dbraw/zinc/96/73/32/708967332.db2.gz XDJCKMGCRCAVMG-ZDUSSCGKSA-N 1 0 316.365 1.397 20 5 DDBDRO CC[N@@H+]1CCCN(C(=O)CCn2cc([N+](=O)[O-])nc2C)[C@@H](C)C1 ZINC000910285951 709866593 /nfs/dbraw/zinc/86/65/93/709866593.db2.gz DKELSMJLLSQJRV-LBPRGKRZSA-N 1 0 323.397 1.433 20 5 DDBDRO CCc1n[nH]c(C(=O)N(C)CC(C)(C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000890883804 710020826 /nfs/dbraw/zinc/02/08/26/710020826.db2.gz OPGCVOSBXVXRQG-UHFFFAOYSA-N 1 0 311.386 1.540 20 5 DDBDRO Cc1ccc(CNC(=O)NC[C@@H]2CCCC[NH2+]2)cc1[N+](=O)[O-] ZINC000891971354 710342920 /nfs/dbraw/zinc/34/29/20/710342920.db2.gz PGZMWZQTAGXKLC-ZDUSSCGKSA-N 1 0 306.366 1.845 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000892760240 710493672 /nfs/dbraw/zinc/49/36/72/710493672.db2.gz LNGKKZILPJUXBO-UHFFFAOYSA-N 1 0 323.397 1.410 20 5 DDBDRO C[C@H]1[C@@H](NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC[N@@H+]1C ZINC000928447864 713201129 /nfs/dbraw/zinc/20/11/29/713201129.db2.gz AHXPGXYLZZGPRL-ZANVPECISA-N 1 0 302.334 1.899 20 5 DDBDRO C[C@H]1[C@@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC[N@@H+]1C ZINC000928453740 713204094 /nfs/dbraw/zinc/20/40/94/713204094.db2.gz PVXJLFAKZKTQIB-ONGXEEELSA-N 1 0 321.333 1.188 20 5 DDBDRO C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000911778723 710981731 /nfs/dbraw/zinc/98/17/31/710981731.db2.gz UCVWOSHRQJXIOS-TUKIKUTGSA-N 1 0 303.362 1.766 20 5 DDBDRO C[C@](C[NH3+])(NC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000911803352 711001557 /nfs/dbraw/zinc/00/15/57/711001557.db2.gz QXHLGPWVOCVAOM-SQWLQELKSA-N 1 0 303.362 1.942 20 5 DDBDRO COc1cc([C@@H](C)[NH2+]CCN2CC[C@H](O)C2)cc([N+](=O)[O-])c1 ZINC000903209503 711066489 /nfs/dbraw/zinc/06/64/89/711066489.db2.gz LWSCCXWDWCMLQL-RISCZKNCSA-N 1 0 309.366 1.321 20 5 DDBDRO C[NH+]1CCC(N(CCO)C(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000911937451 711077691 /nfs/dbraw/zinc/07/76/91/711077691.db2.gz LIDXGSNRVMMXEQ-UHFFFAOYSA-N 1 0 321.377 1.052 20 5 DDBDRO C[C@@H](N[C@@H]1CC[NH2+]C12CCC2)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000903466613 711135439 /nfs/dbraw/zinc/13/54/39/711135439.db2.gz XFVNFXFQSHJABF-BXUZGUMPSA-N 1 0 318.377 1.796 20 5 DDBDRO Cc1n[nH]c(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1C ZINC000894580225 711191335 /nfs/dbraw/zinc/19/13/35/711191335.db2.gz RDIRKPFZLJHKNR-UHFFFAOYSA-N 1 0 304.354 1.968 20 5 DDBDRO O=C(NCc1cccc([N+](=O)[O-])c1)c1ccc2c(n1)C[NH2+]CC2 ZINC000912262068 711250520 /nfs/dbraw/zinc/25/05/20/711250520.db2.gz NRFVYHHZYIZBGF-UHFFFAOYSA-N 1 0 312.329 1.566 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CCC(C)([NH+](C)C)CC2)n1 ZINC000894850190 711295892 /nfs/dbraw/zinc/29/58/92/711295892.db2.gz VACAZDJLJRQMLL-UHFFFAOYSA-N 1 0 322.365 1.697 20 5 DDBDRO COCC[C@H]1C[NH2+]CCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000903836981 711297269 /nfs/dbraw/zinc/29/72/69/711297269.db2.gz YVWQUGACEXEXKP-AWEZNQCLSA-N 1 0 309.366 1.284 20 5 DDBDRO C[N@H+]1C[C@H]2CC[C@@H](C1)N2c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000894878159 711305407 /nfs/dbraw/zinc/30/54/07/711305407.db2.gz FRQHMAZEKJTKHM-TXEJJXNPSA-N 1 0 316.361 1.762 20 5 DDBDRO [NH3+][C@H](CC(F)F)CN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000903912327 711327752 /nfs/dbraw/zinc/32/77/52/711327752.db2.gz DDIHLZFEIIJUBR-SECBINFHSA-N 1 0 303.313 1.411 20 5 DDBDRO O=[N+]([O-])c1ccccc1CNCc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903922762 711333404 /nfs/dbraw/zinc/33/34/04/711333404.db2.gz DLYLSQIXUIMNCY-ZDUSSCGKSA-N 1 0 316.365 1.401 20 5 DDBDRO C[C@@H]1C[NH2+]C[C@H]1NCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000903963873 711349497 /nfs/dbraw/zinc/34/94/97/711349497.db2.gz IFHRILJDASDVKG-IAQYHMDHSA-N 1 0 315.377 1.693 20 5 DDBDRO C[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000895797507 711608989 /nfs/dbraw/zinc/60/89/89/711608989.db2.gz HUVXXTIACGQUTG-KCJUWKMLSA-N 1 0 318.782 1.771 20 5 DDBDRO C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1C[NH2+]CC[N+](=O)[O-] ZINC000905119846 711942314 /nfs/dbraw/zinc/94/23/14/711942314.db2.gz PCKJSVMTIDBJKK-MNOVXSKESA-N 1 0 317.386 1.613 20 5 DDBDRO C[NH+](C)CCONC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000908528208 712798621 /nfs/dbraw/zinc/79/86/21/712798621.db2.gz NDZAXSJPWKNPKQ-UHFFFAOYSA-N 1 0 305.693 1.610 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CC[N@H+](C)C2(CCCCC2)C1 ZINC000908572960 712810794 /nfs/dbraw/zinc/81/07/94/712810794.db2.gz JISCHBWJQOURHU-UHFFFAOYSA-N 1 0 321.381 1.419 20 5 DDBDRO CC(C)[NH2+]C1(CO)CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000908589621 712816241 /nfs/dbraw/zinc/81/62/41/712816241.db2.gz VZRQDHMMZZCNFH-UHFFFAOYSA-N 1 0 321.377 1.560 20 5 DDBDRO C[C@@H](CNC(=O)COc1ccc([N+](=O)[O-])cc1)[NH+]1CCCCC1 ZINC000917837744 713515933 /nfs/dbraw/zinc/51/59/33/713515933.db2.gz MAICNHCAVYYCDG-ZDUSSCGKSA-N 1 0 321.377 1.964 20 5 DDBDRO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@H+](CC[N+](=O)[O-])C1 ZINC000930032436 713739913 /nfs/dbraw/zinc/73/99/13/713739913.db2.gz QMTPTTGFHXABAF-NEPJUHHUSA-N 1 0 301.387 1.888 20 5 DDBDRO C[C@H]1[C@@H](NC(=O)NCCc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000921681048 713841286 /nfs/dbraw/zinc/84/12/86/713841286.db2.gz PPKIZLWIFJQNTH-FZMZJTMJSA-N 1 0 306.366 1.529 20 5 DDBDRO CN(C)C(=O)c1cccc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)c1 ZINC000921863315 713889442 /nfs/dbraw/zinc/88/94/42/713889442.db2.gz UMBFVCVYJGVZRP-UHFFFAOYSA-N 1 0 317.349 1.283 20 5 DDBDRO C[C@@H]1CC[C@@H](C(N)=O)[C@H](C)[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000930915427 713957743 /nfs/dbraw/zinc/95/77/43/713957743.db2.gz KWSXGMHCKRNEFO-TYNCELHUSA-N 1 0 321.377 1.948 20 5 DDBDRO Cc1c(CNC(=O)N[C@@H]2CC[N@H+](C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000922167841 713980749 /nfs/dbraw/zinc/98/07/49/713980749.db2.gz GYRKRBHXFFHQOL-WCQYABFASA-N 1 0 306.366 1.795 20 5 DDBDRO C[NH2+]C[C@@H]1CCCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000923282764 714296691 /nfs/dbraw/zinc/29/66/91/714296691.db2.gz QDOUDZIFZOLSPF-UONOGXRCSA-N 1 0 323.393 1.266 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)CN[C@@H]2CC[NH2+]C23CCC3)c1 ZINC000923397102 714341067 /nfs/dbraw/zinc/34/10/67/714341067.db2.gz ADOXCCQIDKJXNK-UKRRQHHQSA-N 1 0 321.377 1.209 20 5 DDBDRO CC[N@H+](CCC(=O)NC)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000933865645 714686634 /nfs/dbraw/zinc/68/66/34/714686634.db2.gz ZCFHUBWIXKKIPC-UHFFFAOYSA-N 1 0 322.365 1.016 20 5 DDBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@@H]2C2OCCO2)cc1 ZINC000933909594 714699608 /nfs/dbraw/zinc/69/96/08/714699608.db2.gz OESCOGGFRRBDJX-CQSZACIVSA-N 1 0 308.334 1.811 20 5 DDBDRO Cc1nc(N2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)ccc1[N+](=O)[O-] ZINC001164966232 722067367 /nfs/dbraw/zinc/06/73/67/722067367.db2.gz ZRVKGYWBPFMPBE-OKILXGFUSA-N 1 0 318.377 1.598 20 5 DDBDRO Cc1nc(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)co1 ZINC001126161302 738433404 /nfs/dbraw/zinc/43/34/04/738433404.db2.gz GYEYXQCEYOBPIE-UHFFFAOYSA-N 1 0 304.306 1.411 20 5 DDBDRO COC(=O)Cc1ccc(-n2ccc(C[NH3+])cc2=N)cc1[N+](=O)[O-] ZINC001167692191 736089140 /nfs/dbraw/zinc/08/91/40/736089140.db2.gz NIYCCIZXDXBOAJ-UHFFFAOYSA-N 1 0 316.317 1.039 20 5 DDBDRO COC(=O)[C@@H](CCC[NH3+])Nc1nc(Cl)ccc1[N+](=O)[O-] ZINC001167898852 739206183 /nfs/dbraw/zinc/20/61/83/739206183.db2.gz DQMDRLYQBAKRDU-SSDOTTSWSA-N 1 0 302.718 1.336 20 5 DDBDRO COC(=O)[C@@H](CCC[NH3+])Nc1ccc(NC(C)=O)c([N+](=O)[O-])c1 ZINC001167900738 739222998 /nfs/dbraw/zinc/22/29/98/739222998.db2.gz IUXAIKHXGAOLEP-GFCCVEGCSA-N 1 0 324.337 1.246 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])c(NC2(C)CC[NH2+]CC2)cc1OC ZINC001168188404 741772813 /nfs/dbraw/zinc/77/28/13/741772813.db2.gz UHZYAYFPQIAOIP-UHFFFAOYSA-N 1 0 323.349 1.944 20 5 DDBDRO CCOC(=O)c1cccc([N+](=O)[O-])c1N[C@H]1C[NH2+]CC[C@H]1F ZINC001168226399 741832203 /nfs/dbraw/zinc/83/22/03/741832203.db2.gz HQRGXVJBIGTWAZ-MNOVXSKESA-N 1 0 311.313 1.883 20 5 DDBDRO O=C(NCC[NH2+]Cc1cc(Cl)ccc1F)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126932455 742779759 /nfs/dbraw/zinc/77/97/59/742779759.db2.gz YSZIAGLBXNUHFH-ZYHUDNBSSA-N 1 0 315.732 1.350 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])c(Cl)cc1-n1ccnc1C(N)=[NH2+] ZINC001168419759 744350570 /nfs/dbraw/zinc/35/05/70/744350570.db2.gz KIFFKLHIPBDTPQ-UHFFFAOYSA-N 1 0 323.696 1.505 20 5 DDBDRO O=C(NCC1C[NH+](CC2CCC3(CC3)CC2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001031663067 747338358 /nfs/dbraw/zinc/33/83/58/747338358.db2.gz QXZGAVRXZQZCJO-HUUCEWRRSA-N 1 0 321.421 1.670 20 5 DDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([NH2+]C/C(Cl)=C/Cl)CC1 ZINC001200470899 748264718 /nfs/dbraw/zinc/26/47/18/748264718.db2.gz AFTIQLZYHFMROL-JRJMJSEMSA-N 1 0 322.192 1.551 20 5 DDBDRO O=C(N[C@H]1CC[C@H]([NH2+]Cc2ccccn2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001034643352 750625628 /nfs/dbraw/zinc/62/56/28/750625628.db2.gz MXVAHRBACSHRKU-QHSBEEBCSA-N 1 0 318.377 1.264 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(-n2cc3c(n2)CC[C@@H]([NH3+])C3)c1 ZINC001168819213 762068873 /nfs/dbraw/zinc/06/88/73/762068873.db2.gz WOKDDTGGHGDZCO-LLVKDONJSA-N 1 0 316.317 1.383 20 5 DDBDRO COC1CCC(Nc2ncnc(C3C[NH2+]C3)c2[N+](=O)[O-])CC1 ZINC001168605090 751329068 /nfs/dbraw/zinc/32/90/68/751329068.db2.gz GRORPKOAMOXWDZ-UHFFFAOYSA-N 1 0 307.354 1.441 20 5 DDBDRO CN(Cc1ccccc1)C(=O)C[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168966495 762157739 /nfs/dbraw/zinc/15/77/39/762157739.db2.gz IOWHUBFOCHYKGQ-LSDHHAIUSA-N 1 0 305.378 1.680 20 5 DDBDRO CC(C)(C)[C@H](CN1CCOCC1)[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169001481 762172547 /nfs/dbraw/zinc/17/25/47/762172547.db2.gz GISKQXUWQRYJER-KKUMJFAQSA-N 1 0 313.442 1.768 20 5 DDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CCOc2ccc3c(c2)OCO3)C1 ZINC001168986807 762179881 /nfs/dbraw/zinc/17/98/81/762179881.db2.gz ZRTLONOXQNGQNP-NWDGAFQWSA-N 1 0 308.334 1.829 20 5 DDBDRO Cc1cc(N2CC[NH+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)nc(C)n1 ZINC001169027854 762184441 /nfs/dbraw/zinc/18/44/41/762184441.db2.gz RDYVFLNCCWAYPI-LSDHHAIUSA-N 1 0 319.409 1.661 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCC(Oc3cnccn3)CC2)C1 ZINC001169039847 762193693 /nfs/dbraw/zinc/19/36/93/762193693.db2.gz UUQDHQBTSANTLN-OLZOCXBDSA-N 1 0 306.366 1.765 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CC[C@@]3(CCN3c3ncccn3)C2)C1 ZINC001169019738 762200004 /nfs/dbraw/zinc/20/00/04/762200004.db2.gz JEJZIQYLZAAPHA-IJEWVQPXSA-N 1 0 317.393 1.577 20 5 DDBDRO Cc1nccc(N([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C2CC[NH2+]CC2)n1 ZINC001169052501 762208167 /nfs/dbraw/zinc/20/81/67/762208167.db2.gz GHHHNSVYIVOOCI-UKRRQHHQSA-N 1 0 319.409 1.789 20 5 DDBDRO CCOC(=O)c1cnc(-n2ccc([C@@H](C)[NH3+])n2)c([N+](=O)[O-])c1 ZINC001169228107 762289339 /nfs/dbraw/zinc/28/93/39/762289339.db2.gz MSSLXIFCINMBMB-MRVPVSSYSA-N 1 0 305.294 1.372 20 5 DDBDRO CC[NH+](CC)CC(=O)N[C@H]1C[C@@H](Nc2ccccc2[N+](=O)[O-])C1 ZINC001097184647 756957240 /nfs/dbraw/zinc/95/72/40/756957240.db2.gz JVUUEDUBXAZTEN-BETUJISGSA-N 1 0 320.393 1.996 20 5 DDBDRO CC[NH+](CC)CC(=O)N[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001097185203 756957270 /nfs/dbraw/zinc/95/72/70/756957270.db2.gz STSVJVAMAGLKMZ-OKILXGFUSA-N 1 0 320.393 1.996 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@H](NC(=O)C2CCCC2)C1 ZINC001019918227 760334631 /nfs/dbraw/zinc/33/46/31/760334631.db2.gz MENPGLBTDKUHAP-HAQNSBGRSA-N 1 0 321.381 1.255 20 5 DDBDRO Cc1ccc(CC[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cc1 ZINC001020138896 760613029 /nfs/dbraw/zinc/61/30/29/760613029.db2.gz GVZGLOHUHLOBMP-KLHDSHLOSA-N 1 0 317.389 1.440 20 5 DDBDRO Cc1cncn1CC(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001131376865 768101368 /nfs/dbraw/zinc/10/13/68/768101368.db2.gz ADQKLBXIKYTUAH-UHFFFAOYSA-N 1 0 323.378 1.067 20 5 DDBDRO COc1ccc(C[C@H](C)[NH2+]C[C@@H]2CCC(=O)N2)c([N+](=O)[O-])c1 ZINC001170297895 766227357 /nfs/dbraw/zinc/22/73/57/766227357.db2.gz VGNHAZRKWHZNIF-JQWIXIFHSA-N 1 0 307.350 1.403 20 5 DDBDRO Cc1c(NCCOCCOCC[NH3+])cc(F)cc1[N+](=O)[O-] ZINC001170506859 767632461 /nfs/dbraw/zinc/63/24/61/767632461.db2.gz DELQWZPIWVBPJH-UHFFFAOYSA-N 1 0 301.318 1.446 20 5 DDBDRO [NH3+]CCOCCOCCNc1cc([N+](=O)[O-])ccc1Cl ZINC001170508426 767653127 /nfs/dbraw/zinc/65/31/27/767653127.db2.gz SYIXKHKZHDABLW-UHFFFAOYSA-N 1 0 303.746 1.652 20 5 DDBDRO CCOC(=O)C1=C(Nc2cc([N+](=O)[O-])c(C)cn2)CC[NH2+]C1 ZINC001170516796 767748268 /nfs/dbraw/zinc/74/82/68/767748268.db2.gz GPCNQYIHVCGPAF-UHFFFAOYSA-N 1 0 306.322 1.521 20 5 DDBDRO O=C(N[C@@]12CC[N@H+](C1)CCC2)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC001132686108 769092588 /nfs/dbraw/zinc/09/25/88/769092588.db2.gz AXSCIQZKDQCGNA-HNNXBMFYSA-N 1 0 315.333 1.439 20 5 DDBDRO O=C(Cc1cscn1)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001134857158 771210197 /nfs/dbraw/zinc/21/01/97/771210197.db2.gz XUDNXLWKHQGZBR-UHFFFAOYSA-N 1 0 320.374 1.500 20 5 DDBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001136756698 772124296 /nfs/dbraw/zinc/12/42/96/772124296.db2.gz PDLAMNUELDOLGJ-MRVPVSSYSA-N 1 0 315.761 1.576 20 5 DDBDRO COc1nc(N[C@H]2CC[NH2+]C[C@H]2C(F)(F)F)ncc1[N+](=O)[O-] ZINC001160733456 772651600 /nfs/dbraw/zinc/65/16/00/772651600.db2.gz WFFFYBILNQCOQS-RQJHMYQMSA-N 1 0 321.259 1.346 20 5 DDBDRO COc1nc(C)nc(-n2cc3ccc(C[NH3+])cc3n2)c1[N+](=O)[O-] ZINC001171314408 773264028 /nfs/dbraw/zinc/26/40/28/773264028.db2.gz AHMLYDPYZDYWCU-UHFFFAOYSA-N 1 0 314.305 1.499 20 5 DDBDRO CCn1cnc(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)c1 ZINC001148033355 773339993 /nfs/dbraw/zinc/33/99/93/773339993.db2.gz LGRTVARVEXICMB-UHFFFAOYSA-N 1 0 317.349 1.331 20 5 DDBDRO Cc1ccc(NCCNC(=O)C2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC001093700846 775019737 /nfs/dbraw/zinc/01/97/37/775019737.db2.gz KDRLAIZMDMORGI-UHFFFAOYSA-N 1 0 320.393 1.773 20 5 DDBDRO CCC[N@H+](C)CCC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC001093770881 775067370 /nfs/dbraw/zinc/06/73/70/775067370.db2.gz MHXGGFNFRLUBNC-UHFFFAOYSA-N 1 0 308.382 1.855 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(NCCNC(=O)C2([NH+](C)C)CCC2)n1 ZINC001093926442 775218364 /nfs/dbraw/zinc/21/83/64/775218364.db2.gz BRIYIHMTFJMVKJ-UHFFFAOYSA-N 1 0 321.381 1.311 20 5 DDBDRO Cc1cc(N(C)CCNC(=O)C[N@@H+](C)C(C)C)ncc1[N+](=O)[O-] ZINC001100149724 775735675 /nfs/dbraw/zinc/73/56/75/775735675.db2.gz NERZPTIUSCQDRI-UHFFFAOYSA-N 1 0 323.397 1.191 20 5 DDBDRO CCC[N@H+](C)CC(=O)NCCCNc1ncccc1[N+](=O)[O-] ZINC001094517270 775973808 /nfs/dbraw/zinc/97/38/08/775973808.db2.gz IZXIBEKCZAFFHU-UHFFFAOYSA-N 1 0 309.370 1.250 20 5 DDBDRO Cc1cnc(NCCCNC(=O)CC[NH+](C)C)c([N+](=O)[O-])c1 ZINC001094752331 776248952 /nfs/dbraw/zinc/24/89/52/776248952.db2.gz OCWRTVGAPUYXGR-UHFFFAOYSA-N 1 0 309.370 1.168 20 5 DDBDRO CCN(CCNC(=O)CC[NH+](C)C)c1cc(C)ccc1[N+](=O)[O-] ZINC001100700841 776450929 /nfs/dbraw/zinc/45/09/29/776450929.db2.gz PUFZSEAMMFQDMC-UHFFFAOYSA-N 1 0 322.409 1.797 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CC[C@@H](CO)[C@H](O)C1)CC2 ZINC001172902311 776915821 /nfs/dbraw/zinc/91/58/21/776915821.db2.gz AKFINVJCANPYTF-ZMSDIMECSA-N 1 0 320.389 1.517 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH+]1CC3(C1)CS(=O)C3)CC2 ZINC001172903231 776915981 /nfs/dbraw/zinc/91/59/81/776915981.db2.gz FQHDVXUFMACQKD-CQSZACIVSA-N 1 0 320.414 1.907 20 5 DDBDRO O=[N+]([O-])c1cc(F)c(N2CCC([NH2+]CCCO)CC2)c(F)c1 ZINC001173007652 776960416 /nfs/dbraw/zinc/96/04/16/776960416.db2.gz WLTODLJZHUPRKC-UHFFFAOYSA-N 1 0 315.320 1.814 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CCn2ccnn2)c1F ZINC001173175719 777034003 /nfs/dbraw/zinc/03/40/03/777034003.db2.gz RCUBKMHSNXZOAH-JTQLQIEISA-N 1 0 323.328 1.555 20 5 DDBDRO Cc1cc(N(C(N)=[NH2+])[C@@H](C)Cc2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001173226490 777062392 /nfs/dbraw/zinc/06/23/92/777062392.db2.gz MCSLPNVPAGMQJR-JTQLQIEISA-N 1 0 302.338 1.957 20 5 DDBDRO CN(CCNc1ccccc1[N+](=O)[O-])C(=O)C1(C[NH+](C)C)CC1 ZINC001101917454 777677113 /nfs/dbraw/zinc/67/71/13/777677113.db2.gz LTNVFZPMYSOJMV-UHFFFAOYSA-N 1 0 320.393 1.807 20 5 DDBDRO Cc1cc(NCCN(C)C(=O)CC[NH+](C)C)ccc1[N+](=O)[O-] ZINC001101927277 777690082 /nfs/dbraw/zinc/69/00/82/777690082.db2.gz WJXVNNCUBQNQEY-UHFFFAOYSA-N 1 0 308.382 1.725 20 5 DDBDRO Cc1nonc1C(=O)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001177444037 778613343 /nfs/dbraw/zinc/61/33/43/778613343.db2.gz XTINWPNFBNQYEW-UHFFFAOYSA-N 1 0 319.321 1.196 20 5 DDBDRO CCC(=O)NCCCCCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001177682936 778693825 /nfs/dbraw/zinc/69/38/25/778693825.db2.gz HROXSDVGNOAXPJ-UHFFFAOYSA-N 1 0 311.386 1.505 20 5 DDBDRO Cn1cnc(C(=O)NCC[N@H+](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001266267883 836012262 /nfs/dbraw/zinc/01/22/62/836012262.db2.gz RXTJJEKZSDQYDW-UHFFFAOYSA-N 1 0 317.349 1.190 20 5 DDBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N[C@@H]1CCC[C@H]([NH3+])C1 ZINC001154986573 861623462 /nfs/dbraw/zinc/62/34/62/861623462.db2.gz SUGANNQLZPZGIL-VHSXEESVSA-N 1 0 308.338 1.848 20 5 DDBDRO CC[C@@H]1[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CCC[C@]12CCC(=O)N2 ZINC001169021518 850518290 /nfs/dbraw/zinc/51/82/90/850518290.db2.gz LGKQCJPNRMFIDS-NYTXWWLZSA-N 1 0 309.410 1.955 20 5 DDBDRO CC(C)(C)[NH+]1CCN(C(=O)c2ccnc(N)c2[N+](=O)[O-])CC1 ZINC001327608417 862315625 /nfs/dbraw/zinc/31/56/25/862315625.db2.gz RGZYFQITNJJAHN-UHFFFAOYSA-N 1 0 307.354 1.128 20 5 DDBDRO COC(=O)[C@@H](Nc1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1)C(C)(C)C ZINC001155740937 862422323 /nfs/dbraw/zinc/42/23/23/862422323.db2.gz OTMNBIOXJBVMIY-LLVKDONJSA-N 1 0 323.353 1.071 20 5 DDBDRO Cc1ncc(C(=O)NCCC[NH2+]Cc2cccc([N+](=O)[O-])c2)[nH]1 ZINC001155752825 862429272 /nfs/dbraw/zinc/42/92/72/862429272.db2.gz JHCHUCPFRICZDH-UHFFFAOYSA-N 1 0 317.349 1.536 20 5 DDBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1-n1nc(C[NH3+])cc1C ZINC001156043188 862668478 /nfs/dbraw/zinc/66/84/78/862668478.db2.gz WPAGARPOPFKYBH-UHFFFAOYSA-N 1 0 305.294 1.119 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(C)cc1-c1noc(C[C@@H]2C[NH2+]CCO2)n1 ZINC001328413066 862959088 /nfs/dbraw/zinc/95/90/88/862959088.db2.gz OKULHSVCJXVPMJ-LLVKDONJSA-N 1 0 318.333 1.793 20 5 DDBDRO COc1ccc(CC(=O)N2CC[C@H](C[NH3+])[C@H](C)C2)cc1[N+](=O)[O-] ZINC001122209572 858714369 /nfs/dbraw/zinc/71/43/69/858714369.db2.gz GTEWGAGETKVUEH-DGCLKSJQSA-N 1 0 321.377 1.589 20 5 DDBDRO COc1ccc(C(=O)N2CCC[C@]23CC[NH2+]C3)cc1[N+](=O)[O-] ZINC001122327831 858755828 /nfs/dbraw/zinc/75/58/28/858755828.db2.gz QQMUJPCXZWCWMQ-OAHLLOKOSA-N 1 0 305.334 1.572 20 5 DDBDRO Cc1c(CC(=O)N[C@H]2C[C@@H]([NH3+])C23CCC3)cccc1[N+](=O)[O-] ZINC001122342505 858765897 /nfs/dbraw/zinc/76/58/97/858765897.db2.gz XPOFHQJLSNFGSS-KGLIPLIRSA-N 1 0 303.362 1.832 20 5 DDBDRO COc1ccc(C(=O)NC[C@H]2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC001122494615 858852813 /nfs/dbraw/zinc/85/28/13/858852813.db2.gz HQJHQYRNXWWYAD-NSHDSACASA-N 1 0 307.350 1.723 20 5 DDBDRO [NH3+][C@H]1C[C@@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC001122580798 858896399 /nfs/dbraw/zinc/89/63/99/858896399.db2.gz NYRUFJIOVJMMER-OCAPTIKFSA-N 1 0 314.139 1.577 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCC[NH2+]CC1 ZINC001122587910 858899493 /nfs/dbraw/zinc/89/94/93/858899493.db2.gz SJQZUJIYKSCCJL-GFCCVEGCSA-N 1 0 307.350 1.480 20 5 DDBDRO Cn1cccc1C(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001123640962 859339361 /nfs/dbraw/zinc/33/93/61/859339361.db2.gz CTPJHCZYYPUAPN-UHFFFAOYSA-N 1 0 302.334 1.453 20 5 DDBDRO C[N+](C)(C)CCCO[C@H]1CC(=O)N(Cc2ccccc2)C1=O ZINC001224622527 881475879 /nfs/dbraw/zinc/47/58/79/881475879.db2.gz HPCZCCNUYBDKFU-HNNXBMFYSA-N 1 0 305.398 1.427 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)OCCCCOc1ccccc1 ZINC001224713346 881508590 /nfs/dbraw/zinc/50/85/90/881508590.db2.gz PJBRVJUSGBPLNJ-OAHLLOKOSA-N 1 0 310.414 1.846 20 5 DDBDRO CN(C)c1cc(F)c(C(=O)NOCC[NH+](C)C)cc1[N+](=O)[O-] ZINC001328691094 863151749 /nfs/dbraw/zinc/15/17/49/863151749.db2.gz HWXVEGNSGBRFKY-UHFFFAOYSA-N 1 0 314.317 1.023 20 5 DDBDRO COc1nc(N2C(C)(C)CC([NH3+])CC2(C)C)ncc1[N+](=O)[O-] ZINC001156772377 863337024 /nfs/dbraw/zinc/33/70/24/863337024.db2.gz DCHCDMIZTDCBIL-UHFFFAOYSA-N 1 0 309.370 1.878 20 5 DDBDRO CC(C)[N@H+](C)[C@@H]1CCN(c2c(Cl)[n+]([O-])ccc2[N+](=O)[O-])C1 ZINC001157009827 863515984 /nfs/dbraw/zinc/51/59/84/863515984.db2.gz NFFOXEFPSPGNTR-SNVBAGLBSA-N 1 0 314.773 1.801 20 5 DDBDRO CCC[NH+]1C[C@H]2CN(c3ncc(OC)cc3[N+](=O)[O-])C[C@@H]2C1 ZINC001157692232 864052988 /nfs/dbraw/zinc/05/29/88/864052988.db2.gz VDMQLDWDDMHYAV-RYUDHWBXSA-N 1 0 306.366 1.776 20 5 DDBDRO C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001330593117 864474329 /nfs/dbraw/zinc/47/43/29/864474329.db2.gz KBVBOARKEYKHQK-UGQNZJGRSA-N 1 0 315.373 1.891 20 5 DDBDRO CCN(c1cc([N+](=O)[O-])cc(Cl)[n+]1[O-])[C@H]1CCC[NH2+]C1 ZINC001158205997 864488799 /nfs/dbraw/zinc/48/87/99/864488799.db2.gz XSBSLFGAYFEDHK-VIFPVBQESA-N 1 0 300.746 1.460 20 5 DDBDRO COc1cc(N2CCO[C@@H](C[NH+]3CCCC3)C2)ncc1[N+](=O)[O-] ZINC001158310287 864566322 /nfs/dbraw/zinc/56/63/22/864566322.db2.gz YIRTWKVHAPCHGK-LBPRGKRZSA-N 1 0 322.365 1.299 20 5 DDBDRO [NH3+][C@]12CCC[C@@H]1CN(C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C2 ZINC001331049746 864804678 /nfs/dbraw/zinc/80/46/78/864804678.db2.gz GFNJQFYWJAZRMS-CUGVZAEZSA-N 1 0 301.346 1.948 20 5 DDBDRO [NH3+][C@H]1CN(c2ncc([N+](=O)[O-])c3ccccc32)CC12COC2 ZINC001158762166 864886446 /nfs/dbraw/zinc/88/64/46/864886446.db2.gz KRXLVBGBFJPPLN-ZDUSSCGKSA-N 1 0 300.318 1.307 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CCCC[C@]3(CC[NH2+]C3)C2)n1 ZINC001331464670 865102584 /nfs/dbraw/zinc/10/25/84/865102584.db2.gz RKIADYBNRISPDG-OAHLLOKOSA-N 1 0 321.381 1.417 20 5 DDBDRO COC(=O)c1cc(O[C@@H](C)C[N+](C)(C)C)cnc1C(=O)OC ZINC001225527750 881888704 /nfs/dbraw/zinc/88/87/04/881888704.db2.gz LEVZCTFRFWYQQO-JTQLQIEISA-N 1 0 311.358 1.128 20 5 DDBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1Nc1ccc(C[NH3+])nc1 ZINC001160402457 865816868 /nfs/dbraw/zinc/81/68/68/865816868.db2.gz QGGWAQYPWKFUQE-UHFFFAOYSA-N 1 0 317.305 1.764 20 5 DDBDRO COc1nc(N[C@H]2CC[NH2+]C[C@@H]2C(F)(F)F)ccc1[N+](=O)[O-] ZINC001160736503 866086240 /nfs/dbraw/zinc/08/62/40/866086240.db2.gz MHHHTTKZNQRZHF-YUMQZZPRSA-N 1 0 320.271 1.951 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc2c(c1)CCCC2=O ZINC001225640072 881953780 /nfs/dbraw/zinc/95/37/80/881953780.db2.gz XMNVTARSTSBASQ-CYBMUJFWSA-N 1 0 306.382 1.568 20 5 DDBDRO CN(C)[C@@H]1CCCC[C@H]1[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC001332981827 866309384 /nfs/dbraw/zinc/30/93/84/866309384.db2.gz PIMSAEHWNHVDOJ-BBNOBNGHSA-N 1 0 307.398 1.957 20 5 DDBDRO Cc1c(C(=O)NCCn2cc([N+](=O)[O-])cn2)ccc2c[nH+]cn21 ZINC001319989164 866418708 /nfs/dbraw/zinc/41/87/08/866418708.db2.gz MIULMPLWPBCRNQ-UHFFFAOYSA-N 1 0 314.305 1.177 20 5 DDBDRO Nc1cc(N2CCC([NH3+])(c3cccnc3)CC2)ncc1[N+](=O)[O-] ZINC001161582024 866783075 /nfs/dbraw/zinc/78/30/75/866783075.db2.gz JJDAKKRPRCXEJA-UHFFFAOYSA-N 1 0 314.349 1.421 20 5 DDBDRO COc1ccc(OCC[N@@H+]2C3CCC2(CO)CC3)c([N+](=O)[O-])c1 ZINC001333761268 866990351 /nfs/dbraw/zinc/99/03/51/866990351.db2.gz YJJNIEIGVVOVKQ-UHFFFAOYSA-N 1 0 322.361 1.972 20 5 DDBDRO C[NH+](C)[C@@H]1CC[C@H]2CN(c3cc[nH]c(=O)c3[N+](=O)[O-])C[C@@H]2C1 ZINC001333874922 867101871 /nfs/dbraw/zinc/10/18/71/867101871.db2.gz DCHXNAOIEJINDD-SDDRHHMPSA-N 1 0 306.366 1.862 20 5 DDBDRO COC(=O)[C@H]1CCC[C@H]1[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC001320973527 867168694 /nfs/dbraw/zinc/16/86/94/867168694.db2.gz TXKQWJNEOBHYBI-UONOGXRCSA-N 1 0 308.334 1.905 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@]2(C)CCC[N@H+](C)C2)n1 ZINC001162338566 867469291 /nfs/dbraw/zinc/46/92/91/867469291.db2.gz BWBOMHLQUINSNY-CQSZACIVSA-N 1 0 308.338 1.673 20 5 DDBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1NC[C@]1(CC2CC2)CCC[NH2+]1 ZINC001162350680 867484835 /nfs/dbraw/zinc/48/48/35/867484835.db2.gz MUBCZRPOGOGLIV-OAHLLOKOSA-N 1 0 306.366 1.871 20 5 DDBDRO C[C@@H]1C[NH2+]CCC[C@@H]1CNc1ccc([N+](=O)[O-])c(C(N)=O)n1 ZINC001162456417 867547247 /nfs/dbraw/zinc/54/72/47/867547247.db2.gz WQXLVFKSWMTNTR-NXEZZACHSA-N 1 0 307.354 1.136 20 5 DDBDRO [NH3+][C@H]1COC[C@H]1Nc1ccc(OC(F)(F)F)c([N+](=O)[O-])c1 ZINC001162921220 867919422 /nfs/dbraw/zinc/91/94/22/867919422.db2.gz PYLNDLQGAPZEIN-JGVFFNPUSA-N 1 0 307.228 1.631 20 5 DDBDRO O=[N+]([O-])c1nccnc1NC[C@@H]1CCC2(CC[NH2+]CC2)CO1 ZINC001162958891 867949872 /nfs/dbraw/zinc/94/98/72/867949872.db2.gz UPMCTBAVDDTDNQ-NSHDSACASA-N 1 0 307.354 1.346 20 5 DDBDRO COc1ccc(-c2ccc(C[NH2+]C(CO)CO)o2)c([N+](=O)[O-])c1 ZINC001322089292 867972895 /nfs/dbraw/zinc/97/28/95/867972895.db2.gz MZIZPVMMQAOESE-UHFFFAOYSA-N 1 0 322.317 1.306 20 5 DDBDRO O=[N+]([O-])c1cccc2cnc(N[C@H]3COCCC34C[NH2+]C4)nc21 ZINC001163075086 868058313 /nfs/dbraw/zinc/05/83/13/868058313.db2.gz XPVJBKNOEWVDBQ-LBPRGKRZSA-N 1 0 315.333 1.328 20 5 DDBDRO O=[N+]([O-])c1cccc2cnc(NC[C@@H]3CO[C@@H]4C[NH2+]C[C@H]34)nc21 ZINC001163101293 868100566 /nfs/dbraw/zinc/10/05/66/868100566.db2.gz MQSOUTVNANFCQW-NQBHXWOUSA-N 1 0 315.333 1.184 20 5 DDBDRO Cc1cncc([N+](=O)[O-])c1NCCN1CCC([NH+](C)C)CC1 ZINC001322526824 868223594 /nfs/dbraw/zinc/22/35/94/868223594.db2.gz LPVNEQMIJPTECK-UHFFFAOYSA-N 1 0 307.398 1.158 20 5 DDBDRO O=C1C[C@H]2[NH2+]CC[C@]2(Nc2cc3cc[nH]c3c([N+](=O)[O-])c2)N1 ZINC001163248278 868255706 /nfs/dbraw/zinc/25/57/06/868255706.db2.gz GMCXHMZJVHCNCM-RISCZKNCSA-N 1 0 301.306 1.066 20 5 DDBDRO O=C1C[C@@H]2[NH2+]CC[C@@]2(Nc2cc3cc[nH]c3c([N+](=O)[O-])c2)N1 ZINC001163248280 868255859 /nfs/dbraw/zinc/25/58/59/868255859.db2.gz GMCXHMZJVHCNCM-SMDDNHRTSA-N 1 0 301.306 1.066 20 5 DDBDRO CN(C)[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC001335431590 868291903 /nfs/dbraw/zinc/29/19/03/868291903.db2.gz OQDMOFCAUJIDGA-MGPQQGTHSA-N 1 0 323.393 1.407 20 5 DDBDRO COc1nc(C)nc(N[C@H]2CCO[C@]3(CC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC001163314271 868345289 /nfs/dbraw/zinc/34/52/89/868345289.db2.gz ZHJUZCWUEQHIFJ-IINYFYTJSA-N 1 0 323.353 1.025 20 5 DDBDRO C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC001335504596 868347650 /nfs/dbraw/zinc/34/76/50/868347650.db2.gz MVPPMAZWAHURDR-TZMCWYRMSA-N 1 0 320.393 1.682 20 5 DDBDRO CN(C)c1ccc(N[C@H]2CCO[C@@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC001163327492 868357928 /nfs/dbraw/zinc/35/79/28/868357928.db2.gz JZDNSUSESSVUFL-LRDDRELGSA-N 1 0 320.393 1.984 20 5 DDBDRO O=[N+]([O-])c1c(N[C@H]2C[NH2+][C@@H]3CCO[C@@H]32)ccc2ncccc21 ZINC001163342944 868375472 /nfs/dbraw/zinc/37/54/72/868375472.db2.gz MIPLSDYQDKGYCT-IPYPFGDCSA-N 1 0 300.318 1.684 20 5 DDBDRO COc1ncnc(N[C@H]2CC[N@@H+](C(C)C)C[C@H]2C)c1[N+](=O)[O-] ZINC001163361649 868395120 /nfs/dbraw/zinc/39/51/20/868395120.db2.gz JYHWABWIEFKTKG-MNOVXSKESA-N 1 0 309.370 1.924 20 5 DDBDRO Cc1n[nH]cc1C(=O)NCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001163672401 868615829 /nfs/dbraw/zinc/61/58/29/868615829.db2.gz XFOCTPGQAGXDOR-UHFFFAOYSA-N 1 0 323.378 1.598 20 5 DDBDRO O=C(N[C@@H]1C[NH+]2CCC1CC2)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001336055053 868703066 /nfs/dbraw/zinc/70/30/66/868703066.db2.gz NNJCTKQHDGNPLQ-OWCLPIDISA-N 1 0 315.373 1.909 20 5 DDBDRO Cc1cc(N(CC[NH3+])CCO)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001163829794 868740550 /nfs/dbraw/zinc/74/05/50/868740550.db2.gz CPYOQTLRWQHQRX-UHFFFAOYSA-N 1 0 317.349 1.118 20 5 DDBDRO Cn1cc([N+](=O)[O-])c(N2CCC([NH2+]C3CCOCC3)CC2)n1 ZINC001164130727 868962443 /nfs/dbraw/zinc/96/24/43/868962443.db2.gz BHVUUMINAJPMPY-UHFFFAOYSA-N 1 0 309.370 1.066 20 5 DDBDRO CCc1ccc(C(=O)N[C@H]2C[NH+]3CCC2CC3)cc1[N+](=O)[O-] ZINC001336617845 869051359 /nfs/dbraw/zinc/05/13/59/869051359.db2.gz STTBWMDLYJINJG-AWEZNQCLSA-N 1 0 303.362 1.981 20 5 DDBDRO C[C@]1(C[NH3+])CCCN(c2cc([N+](=O)[O-])cc(Cl)[n+]2[O-])CC1 ZINC001164248556 869057428 /nfs/dbraw/zinc/05/74/28/869057428.db2.gz UUXWRNWEXVTGOR-ZDUSSCGKSA-N 1 0 314.773 1.837 20 5 DDBDRO C[C@@H](C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)Cn1ccnc1 ZINC001336739789 869118221 /nfs/dbraw/zinc/11/82/21/869118221.db2.gz QYDVVHICMAQXNM-SWLSCSKDSA-N 1 0 304.350 1.751 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCC[N@@H+]2C)c1 ZINC001336743980 869120243 /nfs/dbraw/zinc/12/02/43/869120243.db2.gz CAQGNFOTLICCIS-LLVKDONJSA-N 1 0 307.350 1.818 20 5 DDBDRO C[C@@]1(F)CCN(c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)C[C@H]1F ZINC001164337609 869134205 /nfs/dbraw/zinc/13/42/05/869134205.db2.gz GCXXZQUKLNSJCV-ZWNOBZJWSA-N 1 0 313.308 1.348 20 5 DDBDRO COC(=O)c1ccnc(N2C[C@@H](C[NH3+])CC[C@H]2C)c1[N+](=O)[O-] ZINC001164466930 869212365 /nfs/dbraw/zinc/21/23/65/869212365.db2.gz CMIHNMQJSHMORH-NXEZZACHSA-N 1 0 308.338 1.340 20 5 DDBDRO Nc1ccc([N+](=O)[O-])c(N2CCC([NH2+]C3CCOCC3)CC2)c1 ZINC001336980322 869242423 /nfs/dbraw/zinc/24/24/23/869242423.db2.gz CEEXAROZJLZLQM-UHFFFAOYSA-N 1 0 320.393 1.914 20 5 DDBDRO CN1CCc2c(-n3ccnc3CC[NH3+])ccc([N+](=O)[O-])c2C1 ZINC001166383796 869976842 /nfs/dbraw/zinc/97/68/42/869976842.db2.gz QMBPCPZUBOXBRF-UHFFFAOYSA-N 1 0 301.350 1.270 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCN2C[C@H]3CC[C@@H](C2)O3)c1 ZINC001338506765 870022478 /nfs/dbraw/zinc/02/24/78/870022478.db2.gz ZQNHPTSHJFPGFB-OWCLPIDISA-N 1 0 321.377 1.081 20 5 DDBDRO COc1ncc([N+](=O)[O-])c(NCC2CC[NH+](C(C)C)CC2)n1 ZINC001166594509 870086870 /nfs/dbraw/zinc/08/68/70/870086870.db2.gz QWYHVLJMWFIULZ-UHFFFAOYSA-N 1 0 309.370 1.926 20 5 DDBDRO C[C@H](c1nnc(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)n1C)[N+](=O)[O-] ZINC001339670216 870618918 /nfs/dbraw/zinc/61/89/18/870618918.db2.gz XTGJCMIDGUKNOV-VXGBXAGGSA-N 1 0 322.413 1.463 20 5 DDBDRO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3cccc([N+](=O)[O-])c3N)[C@@H]2C1 ZINC001305873764 871306492 /nfs/dbraw/zinc/30/64/92/871306492.db2.gz KQCIQNDXWBBDPU-WCQGTBRESA-N 1 0 304.350 1.247 20 5 DDBDRO Cc1cc(C(=O)N2CCC3(CC2)C[NH2+]CCO3)ccc1[N+](=O)[O-] ZINC001341207078 871556350 /nfs/dbraw/zinc/55/63/50/871556350.db2.gz TXENGLPIWXWZMV-UHFFFAOYSA-N 1 0 319.361 1.498 20 5 DDBDRO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@@H]3C[C@H]4COC[C@H]4O3)CC2)n1 ZINC001341394323 871637137 /nfs/dbraw/zinc/63/71/37/871637137.db2.gz YJMQSIAZUVZMGE-FPMFFAJLSA-N 1 0 322.365 1.232 20 5 DDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)NC1(C2CC[NH2+]CC2)CC1 ZINC001341402963 871643550 /nfs/dbraw/zinc/64/35/50/871643550.db2.gz DKOGZGKXJSENMR-UHFFFAOYSA-N 1 0 303.362 1.786 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[NH2+]CC1(C)C ZINC001341467801 871671376 /nfs/dbraw/zinc/67/13/76/871671376.db2.gz UAEBVNHIOVMUBY-ZDUSSCGKSA-N 1 0 306.366 1.389 20 5 DDBDRO CCN(C(=O)Cc1ccc(OC)c([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]C1 ZINC001342276461 872120610 /nfs/dbraw/zinc/12/06/10/872120610.db2.gz KBONGEBOAODKOS-CYBMUJFWSA-N 1 0 321.377 1.746 20 5 DDBDRO CC(C)(C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1ccc([N+](=O)[O-])cc1 ZINC001342941414 872447200 /nfs/dbraw/zinc/44/72/00/872447200.db2.gz KITONWZEIWJCNI-IACUBPJLSA-N 1 0 303.362 1.882 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)C1=CCC[NH2+]CC1 ZINC001343178296 872528233 /nfs/dbraw/zinc/52/82/33/872528233.db2.gz AUIBTDCIGZFBMH-UHFFFAOYSA-N 1 0 305.334 1.529 20 5 DDBDRO COc1cc(C(=O)N(C)CC2CC[NH2+]CC2)cc([N+](=O)[O-])c1C ZINC001343568815 872673120 /nfs/dbraw/zinc/67/31/20/872673120.db2.gz NCWROUJXCKUNRD-UHFFFAOYSA-N 1 0 321.377 1.983 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1[C@H](C)C[NH2+][C@H](C)[C@@H]1C ZINC001344845980 873143059 /nfs/dbraw/zinc/14/30/59/873143059.db2.gz HRYNSSNXOUBUDQ-MXWKQRLJSA-N 1 0 309.370 1.087 20 5 DDBDRO CC[NH+](CC)CC[C@@H](C)NC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC001347662478 874234571 /nfs/dbraw/zinc/23/45/71/874234571.db2.gz WUDBABPOOSPZJY-SNVBAGLBSA-N 1 0 309.370 1.422 20 5 DDBDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001348562449 874634791 /nfs/dbraw/zinc/63/47/91/874634791.db2.gz PGQWYZSOPHAXJX-CHWSQXEVSA-N 1 0 304.350 1.890 20 5 DDBDRO CCOCC(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001349897180 875440104 /nfs/dbraw/zinc/44/01/04/875440104.db2.gz YIWRWDLLAPPLCE-UHFFFAOYSA-N 1 0 322.365 1.322 20 5 DDBDRO [NH3+][C@@H](Cc1nnc([C@@H]2CCOC2)o1)Cc1ccc([N+](=O)[O-])cc1 ZINC001217716735 877289271 /nfs/dbraw/zinc/28/92/71/877289271.db2.gz PZMXPZUVJZICBR-VXGBXAGGSA-N 1 0 318.333 1.594 20 5 DDBDRO O=[N+]([O-])C[C@@H](OC[C@H]1C[C@H]2CC[NH2+]C[C@@H]2O1)c1cccnc1 ZINC001217864567 877343110 /nfs/dbraw/zinc/34/31/10/877343110.db2.gz FVVKXQBUOVPJNH-REBRKWNGSA-N 1 0 307.350 1.183 20 5 DDBDRO COc1cccc(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](C)C[C@H]23)c1[N+](=O)[O-] ZINC001355171689 878452805 /nfs/dbraw/zinc/45/28/05/878452805.db2.gz PIISSVFQHQWITE-KGYLQXTDSA-N 1 0 319.361 1.673 20 5 DDBDRO C[C@@H](CNC(=O)[C@]12C[C@H]1CCC[NH2+]2)c1ccccc1[N+](=O)[O-] ZINC001355315313 878496241 /nfs/dbraw/zinc/49/62/41/878496241.db2.gz DSDKJYHSAYJQNF-OZVIIMIRSA-N 1 0 303.362 1.957 20 5 DDBDRO C[C@H](CNC(=O)[C@H]1C[C@@]12CC[NH2+]C2)c1ccccc1[N+](=O)[O-] ZINC001355316107 878496288 /nfs/dbraw/zinc/49/62/88/878496288.db2.gz LTIXOVGCBHRDDO-AXAPSJFSSA-N 1 0 303.362 1.814 20 5 DDBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC[C@H]([NH2+]CCO)C1 ZINC001357953631 880263314 /nfs/dbraw/zinc/26/33/14/880263314.db2.gz NOSOAKISWRGCDG-AWEZNQCLSA-N 1 0 321.377 1.100 20 5 DDBDRO COc1cc(COCC[N@H+]2CC[C@@H](OC)C2)cc([N+](=O)[O-])c1 ZINC001223393839 880944645 /nfs/dbraw/zinc/94/46/45/880944645.db2.gz FQCSYSHIKQAMLA-CQSZACIVSA-N 1 0 310.350 1.841 20 5 DDBDRO O=c1[nH]cnc(O[C@H]2CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC001228144389 883361785 /nfs/dbraw/zinc/36/17/85/883361785.db2.gz TVHKOZYBBPUDHK-LBPRGKRZSA-N 1 0 316.317 1.744 20 5 DDBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(C(=O)N2CCOCC2)cc1 ZINC001228338835 883454976 /nfs/dbraw/zinc/45/49/76/883454976.db2.gz XFVPDSSSQQWLSM-AWEZNQCLSA-N 1 0 307.414 1.633 20 5 DDBDRO Cc1cc(=O)oc2ccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)cc12 ZINC001229189790 883863890 /nfs/dbraw/zinc/86/38/90/883863890.db2.gz BVVADSOBXNXSKE-GFCCVEGCSA-N 1 0 320.365 1.464 20 5 DDBDRO CN(C)c1ccc(Cl)cc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001229843866 884189296 /nfs/dbraw/zinc/18/92/96/884189296.db2.gz ZLGWLFYVPKDJOJ-GFCCVEGCSA-N 1 0 315.821 1.769 20 5 DDBDRO CC(C)C(=O)Nc1nc2[nH]cnc2c(O[C@@H](C)C[N+](C)(C)C)n1 ZINC001230446753 884493661 /nfs/dbraw/zinc/49/36/61/884493661.db2.gz WFZDBACOGKHVGN-JTQLQIEISA-O 1 0 321.405 1.421 20 5 DDBDRO COCCC(=O)NCCC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001231027272 885144808 /nfs/dbraw/zinc/14/48/08/885144808.db2.gz FSIIIDOHDRDRPN-UHFFFAOYSA-N 1 0 309.366 1.569 20 5 DDBDRO COc1ccc(C[NH+](C)C)cc1NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC001290416327 913427658 /nfs/dbraw/zinc/42/76/58/913427658.db2.gz SJDOOQGCQPUYNX-UHFFFAOYSA-N 1 0 319.321 1.640 20 5 DDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCNC[C@@]12CC[NH2+]C2 ZINC001246631624 892753217 /nfs/dbraw/zinc/75/32/17/892753217.db2.gz RTGQVJFLFUBEHC-BBRMVZONSA-N 1 0 304.394 1.163 20 5 DDBDRO COC(=O)CCC(=O)C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254538496 896494116 /nfs/dbraw/zinc/49/41/16/896494116.db2.gz WFJUHNBAXBCEII-NSHDSACASA-N 1 0 308.334 1.638 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC001254553568 896498990 /nfs/dbraw/zinc/49/89/90/896498990.db2.gz XNNUYBXZUJOEPM-HIFRSBDPSA-N 1 0 305.378 1.542 20 5 DDBDRO O=C1NCC2(CC[NH+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)CC2)O1 ZINC001254602836 896526620 /nfs/dbraw/zinc/52/66/20/896526620.db2.gz JCUWDAOECHEVNJ-CQSZACIVSA-N 1 0 317.345 1.636 20 5 DDBDRO O=C1CC[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C[C@H]2CCCN12 ZINC001254605302 896527957 /nfs/dbraw/zinc/52/79/57/896527957.db2.gz BDLKYZGGFSAPOD-CVEARBPZSA-N 1 0 315.373 1.759 20 5 DDBDRO O=C1NC[C@@]2(CCC[N@@H+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)O1 ZINC001254603450 896528645 /nfs/dbraw/zinc/52/86/45/896528645.db2.gz NGPTYYNHPHAOIR-GOEBONIOSA-N 1 0 317.345 1.636 20 5 DDBDRO CC[N@@H+]1CCC[C@@H](CNc2ccc3ncc([N+](=O)[O-])n3n2)C1 ZINC001261648133 899681541 /nfs/dbraw/zinc/68/15/41/899681541.db2.gz TUPDZMXDQNFETK-NSHDSACASA-N 1 0 304.354 1.781 20 5 DDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCC12CC[NH+](C)CC2 ZINC001262348537 900127975 /nfs/dbraw/zinc/12/79/75/900127975.db2.gz LUDIATBYGGWQRT-UHFFFAOYSA-N 1 0 318.377 1.947 20 5 DDBDRO O=[N+]([O-])c1ccc(NCC[NH2+]C[C@H](O)CC(F)(F)F)cc1 ZINC001262557914 900242098 /nfs/dbraw/zinc/24/20/98/900242098.db2.gz PUZOZTDSXGEGOJ-LLVKDONJSA-N 1 0 307.272 1.910 20 5 DDBDRO CC[N@H+](C)CCC(=O)NCCN(C)c1ccc(C)cc1[N+](=O)[O-] ZINC001263681117 900670080 /nfs/dbraw/zinc/67/00/80/900670080.db2.gz YNRUBEASLDWKOL-UHFFFAOYSA-N 1 0 322.409 1.797 20 5 DDBDRO Cc1oncc1C[N@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC1 ZINC001266135746 903001485 /nfs/dbraw/zinc/00/14/85/903001485.db2.gz WCABPBARIMIDLI-ZIAGYGMSSA-N 1 0 322.365 1.119 20 5 DDBDRO CN(CCC[N@H+](C)Cc1ccccc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001280815209 904079333 /nfs/dbraw/zinc/07/93/33/904079333.db2.gz XSODJBAXDOKNAL-HUUCEWRRSA-N 1 0 305.378 1.632 20 5 DDBDRO Cn1ccc(CC[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)n1 ZINC000447600798 230479679 /nfs/dbraw/zinc/47/96/79/230479679.db2.gz NRWFQEOALZOXED-KBPBESRZSA-N 1 0 318.381 1.841 20 5 DDBDRO CCc1n[nH]c(C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)c1[N+](=O)[O-] ZINC000278453619 214162992 /nfs/dbraw/zinc/16/29/92/214162992.db2.gz RDBVZNBEWGGPDU-ONGXEEELSA-N 1 0 307.354 1.047 20 5 DDBDRO CSC[C@H](O)C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000249464846 282158133 /nfs/dbraw/zinc/15/81/33/282158133.db2.gz QANAIYGPYLXJFD-ZYHUDNBSSA-N 1 0 312.395 1.200 20 5 DDBDRO C[C@H](O)C[N@@H+]1CCN(CCOc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000249499773 282160968 /nfs/dbraw/zinc/16/09/68/282160968.db2.gz ICOIXYYZYNDWIM-KBPBESRZSA-N 1 0 323.393 1.361 20 5 DDBDRO CO[C@@H]1CCC[C@H]1[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000451631495 231144383 /nfs/dbraw/zinc/14/43/83/231144383.db2.gz LSERYMBMZUSZHO-UKRRQHHQSA-N 1 0 319.361 1.641 20 5 DDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]([NH3+])C(C)C ZINC000440401954 529730783 /nfs/dbraw/zinc/73/07/83/529730783.db2.gz BCFYFNCEXMDWAB-GFCCVEGCSA-N 1 0 315.395 1.419 20 5 DDBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1cccc(O)c1 ZINC000181495885 199305846 /nfs/dbraw/zinc/30/58/46/199305846.db2.gz PWDYKUJHGDMSIO-NSHDSACASA-N 1 0 303.318 1.813 20 5 DDBDRO C[NH+]1CCN(CCCNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000299466355 529771425 /nfs/dbraw/zinc/77/14/25/529771425.db2.gz ZNZRBYVYGQAHHV-UHFFFAOYSA-N 1 0 323.353 1.552 20 5 DDBDRO C[N@@H+]1CC[C@@](O)(CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000331985272 529801288 /nfs/dbraw/zinc/80/12/88/529801288.db2.gz TZOSZQQBOBTPFZ-HZPDHXFCSA-N 1 0 305.378 1.628 20 5 DDBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000286647690 219102816 /nfs/dbraw/zinc/10/28/16/219102816.db2.gz BOHVDUBEHJGORS-ABAIWWIYSA-N 1 0 318.377 1.876 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000183084737 199532866 /nfs/dbraw/zinc/53/28/66/199532866.db2.gz ZDZCBRSETYJVAF-GFCCVEGCSA-N 1 0 323.397 1.480 20 5 DDBDRO CNC(=O)NC1CC[NH+](Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000414543021 529882786 /nfs/dbraw/zinc/88/27/86/529882786.db2.gz MPVXRRXONPIRTO-UHFFFAOYSA-N 1 0 306.366 1.797 20 5 DDBDRO C[N@@H+]1CCC[C@H](CCNC(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000458184804 530060404 /nfs/dbraw/zinc/06/04/04/530060404.db2.gz JUXMVEIUOXWDHD-CYBMUJFWSA-N 1 0 321.377 1.822 20 5 DDBDRO C[N@@H+]1CCC[C@H](CCNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000458164608 530060888 /nfs/dbraw/zinc/06/08/88/530060888.db2.gz KICUYGSPTVGQFZ-SNVBAGLBSA-N 1 0 324.356 1.778 20 5 DDBDRO CSCC[C@H]([NH3+])C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000286856291 219196809 /nfs/dbraw/zinc/19/68/09/219196809.db2.gz XMLWAPIGLSGPKI-VIFPVBQESA-N 1 0 309.351 1.490 20 5 DDBDRO C[NH2+]CCCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000121445413 185801314 /nfs/dbraw/zinc/80/13/14/185801314.db2.gz VOCRJHLTXCXFQV-UHFFFAOYSA-N 1 0 320.393 1.924 20 5 DDBDRO CC[C@H]1CN(c2cc(C)c([N+](=O)[O-])cn2)CC[N@@H+]1CCOC ZINC000266853260 186360245 /nfs/dbraw/zinc/36/02/45/186360245.db2.gz SBILWHQGQBJKDM-ZDUSSCGKSA-N 1 0 308.382 1.845 20 5 DDBDRO CCCc1n[nH]c(C(=O)N2CC[C@@H](C[NH+](C)C)C2)c1[N+](=O)[O-] ZINC000172353685 198084872 /nfs/dbraw/zinc/08/48/72/198084872.db2.gz TWGPPSBOYWRQDZ-JTQLQIEISA-N 1 0 309.370 1.294 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H](O)C1 ZINC000041886287 352317580 /nfs/dbraw/zinc/31/75/80/352317580.db2.gz YPAKYRCCMLCUDM-CYBMUJFWSA-N 1 0 307.350 1.689 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@@H]3CCCC[C@H]32)c1 ZINC000331774299 234107234 /nfs/dbraw/zinc/10/72/34/234107234.db2.gz KWJAWZSCYDCDRB-NWANDNLSSA-N 1 0 308.382 1.807 20 5 DDBDRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1C[C@@H]1[N+](=O)[O-] ZINC000047268312 352488757 /nfs/dbraw/zinc/48/87/57/352488757.db2.gz JNTCTNCQJGDGEI-CABCVRRESA-N 1 0 303.362 1.432 20 5 DDBDRO Cc1nn(CCC(=O)NC[C@@H](C)[N@H+](C)C2CC2)c(C)c1[N+](=O)[O-] ZINC000057703849 352824335 /nfs/dbraw/zinc/82/43/35/352824335.db2.gz XYJMGRRSNZLRFR-SNVBAGLBSA-N 1 0 323.397 1.397 20 5 DDBDRO C[C@H](CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)[N@H+](C)C1CC1 ZINC000057703845 352825019 /nfs/dbraw/zinc/82/50/19/352825019.db2.gz IQSFINHIQPVDEM-SNVBAGLBSA-N 1 0 309.370 1.125 20 5 DDBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000066126022 352979373 /nfs/dbraw/zinc/97/93/73/352979373.db2.gz XTUCIRDSTQOMJV-GFCCVEGCSA-N 1 0 309.366 1.820 20 5 DDBDRO C[C@H](CNC(=O)CCn1cc([N+](=O)[O-])cn1)C[NH+]1CCCCC1 ZINC000068207298 353096063 /nfs/dbraw/zinc/09/60/63/353096063.db2.gz HUJNNIWQHOBWCD-CYBMUJFWSA-N 1 0 323.397 1.420 20 5 DDBDRO C[NH+](C)C/C=C\C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000491861387 234317912 /nfs/dbraw/zinc/31/79/12/234317912.db2.gz AMLVKVMXTDCNHG-MVZIDQBPSA-N 1 0 319.365 1.120 20 5 DDBDRO COC1CCC([N@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000075745688 353379075 /nfs/dbraw/zinc/37/90/75/353379075.db2.gz ZJKLBYUIHKCOJJ-QRMWWUJWSA-N 1 0 312.370 1.042 20 5 DDBDRO C[C@@H](c1ccccc1F)[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174738157 198378589 /nfs/dbraw/zinc/37/85/89/198378589.db2.gz MHADJYQXKOJFQJ-AAEUAGOBSA-N 1 0 322.340 1.984 20 5 DDBDRO CC[NH+](CC)[C@@H]1CCN(c2ccc(C(=O)NC)cc2[N+](=O)[O-])C1 ZINC000078575788 353523190 /nfs/dbraw/zinc/52/31/90/353523190.db2.gz WDORJSLSPNBTHY-CYBMUJFWSA-N 1 0 320.393 1.875 20 5 DDBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CC1(CO)COC1)C1CC1 ZINC000090606644 353796420 /nfs/dbraw/zinc/79/64/20/353796420.db2.gz JDQOFUWJKSKRET-CQSZACIVSA-N 1 0 306.362 1.514 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NCC[NH+]1CCCCC1 ZINC000115432935 353986456 /nfs/dbraw/zinc/98/64/56/353986456.db2.gz SCJHDOPWQRLCRO-UHFFFAOYSA-N 1 0 307.350 1.819 20 5 DDBDRO O=C(NCCC[NH+]1CCCCC1)Nc1ccncc1[N+](=O)[O-] ZINC000183560975 199613465 /nfs/dbraw/zinc/61/34/65/199613465.db2.gz GUZSLKVXWQFGBD-UHFFFAOYSA-N 1 0 307.354 1.987 20 5 DDBDRO Cc1ccc([C@@H](C)[NH2+]CCC2CS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000345639157 282994976 /nfs/dbraw/zinc/99/49/76/282994976.db2.gz MTMAQYXUDINSMN-LLVKDONJSA-N 1 0 312.391 1.989 20 5 DDBDRO CNC(=O)c1ccc(N2CCC[N@@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000142891161 354146737 /nfs/dbraw/zinc/14/67/37/354146737.db2.gz NAKGMBWBSPQFIF-CYBMUJFWSA-N 1 0 318.377 1.629 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@@H]2CCCCS2)c1 ZINC000156463345 354219231 /nfs/dbraw/zinc/21/92/31/354219231.db2.gz WHIVKQKDXVHLMT-NEPJUHHUSA-N 1 0 300.384 1.028 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H]([NH3+])C[C@H]1C ZINC000228343103 354322445 /nfs/dbraw/zinc/32/24/45/354322445.db2.gz GFMGDZJFQSJEEN-GHMZBOCLSA-N 1 0 313.379 1.404 20 5 DDBDRO COc1cc(OCC(=O)N2CC[C@@H]([NH3+])C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000237225802 354340151 /nfs/dbraw/zinc/34/01/51/354340151.db2.gz YZEJGIGUDIBEQN-WDEREUQCSA-N 1 0 323.349 1.320 20 5 DDBDRO C[C@H]1C[C@H]([NH3+])CCN1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000237633277 354345061 /nfs/dbraw/zinc/34/50/61/354345061.db2.gz JEKPYWUZNMERLC-CMPLNLGQSA-N 1 0 313.379 1.236 20 5 DDBDRO O=C(C[NH2+]C1CC1)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000237877685 354347921 /nfs/dbraw/zinc/34/79/21/354347921.db2.gz CFOCVMLBXIRBLP-UHFFFAOYSA-N 1 0 301.306 1.675 20 5 DDBDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000275497655 354412507 /nfs/dbraw/zinc/41/25/07/354412507.db2.gz BQENQROCUHWBCN-VXGBXAGGSA-N 1 0 307.350 1.750 20 5 DDBDRO Cc1c(NC(=O)CC[N@@H+](C)C[C@H](O)C2CC2)cccc1[N+](=O)[O-] ZINC000305211098 354469261 /nfs/dbraw/zinc/46/92/61/354469261.db2.gz HALFEQVNWVPLRY-HNNXBMFYSA-N 1 0 321.377 1.935 20 5 DDBDRO CNc1ccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1[N+](=O)[O-] ZINC000322940183 354540443 /nfs/dbraw/zinc/54/04/43/354540443.db2.gz QNJCFVBKDBTFBH-YHWZYXNKSA-N 1 0 318.377 1.992 20 5 DDBDRO C[NH+](C)CCCS(=O)(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000601314735 358491918 /nfs/dbraw/zinc/49/19/18/358491918.db2.gz OWEFUYOXEGBDFH-UHFFFAOYSA-N 1 0 315.395 1.008 20 5 DDBDRO Cc1ccc(C(=O)N[C@H](CO)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000588867403 354944531 /nfs/dbraw/zinc/94/45/31/354944531.db2.gz UYZDZQDHWGCFPD-ZDUSSCGKSA-N 1 0 307.350 1.090 20 5 DDBDRO C[C@H](Nc1nccc(C(N)=O)c1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000589573730 355002177 /nfs/dbraw/zinc/00/21/77/355002177.db2.gz QFLNAMJAUFIOGB-VIFPVBQESA-N 1 0 307.354 1.231 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000590010373 355039256 /nfs/dbraw/zinc/03/92/56/355039256.db2.gz CIDCVFWUCWCRRI-SWLSCSKDSA-N 1 0 318.377 1.478 20 5 DDBDRO C[N@@H+]1C[C@@H]2CCN(CC(=O)Nc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000590010575 355040439 /nfs/dbraw/zinc/04/04/39/355040439.db2.gz PDPQJENEMDJWFL-SMDDNHRTSA-N 1 0 304.350 1.169 20 5 DDBDRO C[C@@H]1C[N@H+](CCO)CCN1c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000590739243 355160122 /nfs/dbraw/zinc/16/01/22/355160122.db2.gz NGEIJMXXEURHLW-LLVKDONJSA-N 1 0 317.349 1.041 20 5 DDBDRO C[C@H]1C[N@H+](CCO)CCN1c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000590739245 355160182 /nfs/dbraw/zinc/16/01/82/355160182.db2.gz NGEIJMXXEURHLW-NSHDSACASA-N 1 0 317.349 1.041 20 5 DDBDRO COC(=O)COc1ccc(C[N@@H+]2CC[C@@H](O)[C@H]2C)cc1[N+](=O)[O-] ZINC000590661478 355139840 /nfs/dbraw/zinc/13/98/40/355139840.db2.gz WCZUQEYVHYVJMH-ZWNOBZJWSA-N 1 0 324.333 1.102 20 5 DDBDRO Cc1c(CNC(=O)NC[C@@H]2CCCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000591357078 355298548 /nfs/dbraw/zinc/29/85/48/355298548.db2.gz YHLCJMRKIRZAGI-ZDUSSCGKSA-N 1 0 306.366 1.845 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000591448704 355314276 /nfs/dbraw/zinc/31/42/76/355314276.db2.gz ONWMHQNRCMECMZ-WFASDCNBSA-N 1 0 318.377 1.526 20 5 DDBDRO C[C@@H]1C[C@@H](NCc2cc3c(cc2[N+](=O)[O-])OCCO3)CC[NH2+]1 ZINC000591278411 355277084 /nfs/dbraw/zinc/27/70/84/355277084.db2.gz ZEJUKCQGVSCWFB-PWSUYJOCSA-N 1 0 307.350 1.596 20 5 DDBDRO Cc1c(NC(=O)C(=O)NC[C@H]2CCCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000591291965 355281067 /nfs/dbraw/zinc/28/10/67/355281067.db2.gz VJBJZDAMKFVXNB-LLVKDONJSA-N 1 0 320.349 1.100 20 5 DDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000591307959 355286759 /nfs/dbraw/zinc/28/67/59/355286759.db2.gz KPPUTQKYDUHJFF-QMTHXVAHSA-N 1 0 322.365 1.737 20 5 DDBDRO CCC[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccn1 ZINC000591734507 355374642 /nfs/dbraw/zinc/37/46/42/355374642.db2.gz IJWMIWFACWXQJW-KBPBESRZSA-N 1 0 319.365 1.678 20 5 DDBDRO O=C(NCC1=CC[NH2+]CC1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000591684029 355361634 /nfs/dbraw/zinc/36/16/34/355361634.db2.gz YAAIPTCEUAOABD-UHFFFAOYSA-N 1 0 319.317 1.016 20 5 DDBDRO CC(C)[C@H]1CN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC[NH2+]1 ZINC000592246392 355546715 /nfs/dbraw/zinc/54/67/15/355546715.db2.gz LUAXPXPLEUJQSC-CYBMUJFWSA-N 1 0 317.349 1.541 20 5 DDBDRO COc1ccc(CC(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)cc1[N+](=O)[O-] ZINC000592248908 355547081 /nfs/dbraw/zinc/54/70/81/355547081.db2.gz WRMGYZFWYKFYCE-STQMWFEESA-N 1 0 319.361 1.356 20 5 DDBDRO O=C(c1n[nH]cc1[N+](=O)[O-])N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592254911 355547846 /nfs/dbraw/zinc/54/78/46/355547846.db2.gz LPWKTFZPCGNSGA-QWRGUYRKSA-N 1 0 307.354 1.170 20 5 DDBDRO [NH3+][C@H]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 ZINC000592331203 355560652 /nfs/dbraw/zinc/56/06/52/355560652.db2.gz OIONORLUAFVZCC-UWVGGRQHSA-N 1 0 321.333 1.366 20 5 DDBDRO CCc1ccc(C(=O)N(C)CCN2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000592469214 355592217 /nfs/dbraw/zinc/59/22/17/355592217.db2.gz KSWVGSBXXPDPJR-UHFFFAOYSA-N 1 0 320.393 1.134 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@H](CO)[C@@H]2C)c1 ZINC000593036808 355776546 /nfs/dbraw/zinc/77/65/46/355776546.db2.gz UMKDYIOVSVHPBY-WCQYABFASA-N 1 0 322.361 1.974 20 5 DDBDRO CCO[C@@H]1CN(C/C=C/c2ccccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000593314872 355852670 /nfs/dbraw/zinc/85/26/70/355852670.db2.gz GSPPKONZLPSXOP-WQELODFKSA-N 1 0 305.378 1.904 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NCCC1(C[NH3+])CC1 ZINC000593763922 355989887 /nfs/dbraw/zinc/98/98/87/355989887.db2.gz SSUJRGQXKVSNEK-UHFFFAOYSA-N 1 0 308.338 1.854 20 5 DDBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](CO)CCF ZINC000593686299 355967306 /nfs/dbraw/zinc/96/73/06/355967306.db2.gz LJFVREHNSGZXRK-PWSUYJOCSA-N 1 0 313.329 1.622 20 5 DDBDRO O=C([C@@H]1CCC[NH2+]CC1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000593907157 356052585 /nfs/dbraw/zinc/05/25/85/356052585.db2.gz NGIWOUSQISWEPX-GFCCVEGCSA-N 1 0 321.381 1.345 20 5 DDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000593910138 356054895 /nfs/dbraw/zinc/05/48/95/356054895.db2.gz RLCKZFHKEHTBDU-UONOGXRCSA-N 1 0 303.362 1.784 20 5 DDBDRO C[NH+](C)[C@H]1C[C@@H](CNc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])C1 ZINC000594591133 356258491 /nfs/dbraw/zinc/25/84/91/356258491.db2.gz FOQCZBCTERMPNY-AOOOYVTPSA-N 1 0 317.349 1.996 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000080717260 192185776 /nfs/dbraw/zinc/18/57/76/192185776.db2.gz BSTOFDPRBIRSTC-YHWZYXNKSA-N 1 0 321.381 1.231 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[NH2+]C2CCN(C[C@H]3CCCO3)CC2)c1 ZINC000594497732 356237808 /nfs/dbraw/zinc/23/78/08/356237808.db2.gz DYUZRYJFFBBHBC-OAHLLOKOSA-N 1 0 323.397 1.024 20 5 DDBDRO O=[N+]([O-])c1cc(CNC2CC[NH+]([C@@H]3CCOC3)CC2)cs1 ZINC000594992129 356369394 /nfs/dbraw/zinc/36/93/94/356369394.db2.gz BEBDQUFPDIPWTD-CYBMUJFWSA-N 1 0 311.407 1.999 20 5 DDBDRO COc1cc(C[NH2+]CC(O)(C2CC2)C2CC2)c([N+](=O)[O-])cc1O ZINC000594983081 356368484 /nfs/dbraw/zinc/36/84/84/356368484.db2.gz JVCXQWMTMIDKAS-UHFFFAOYSA-N 1 0 322.361 1.950 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@@H]1C[N@H+](C)CCN1C ZINC000595017608 356372988 /nfs/dbraw/zinc/37/29/88/356372988.db2.gz KSTURMJKVCDXLH-TZMCWYRMSA-N 1 0 322.409 1.500 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCN1CCC(O)CC1 ZINC000595054307 356376709 /nfs/dbraw/zinc/37/67/09/356376709.db2.gz ZHMZKKHBJBYRJN-GFCCVEGCSA-N 1 0 323.393 1.711 20 5 DDBDRO CC[C@H]([NH2+]C[C@@]1(OCCO)CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000595077357 356378818 /nfs/dbraw/zinc/37/88/18/356378818.db2.gz HHTNEFFLQFGPPA-HOTGVXAUSA-N 1 0 324.377 1.804 20 5 DDBDRO Cc1cc(NC(=O)C(=O)NCC[C@H](C)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000595125233 356386720 /nfs/dbraw/zinc/38/67/20/356386720.db2.gz KUOPXKBCLKZFQR-NSHDSACASA-N 1 0 322.365 1.298 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000595226699 356411257 /nfs/dbraw/zinc/41/12/57/356411257.db2.gz YZJNHVGGLIGCQM-OCCSQVGLSA-N 1 0 320.393 1.928 20 5 DDBDRO C[NH2+]C[C@H](C)NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000595227788 356412440 /nfs/dbraw/zinc/41/24/40/356412440.db2.gz JAVHZZIWQPBYDA-ZETCQYMHSA-N 1 0 318.280 1.926 20 5 DDBDRO Cc1ccc([C@@H](C)NC(=O)[C@@H]([NH3+])COC(C)C)cc1[N+](=O)[O-] ZINC000595251487 356418609 /nfs/dbraw/zinc/41/86/09/356418609.db2.gz DXVALAVQBALESY-YPMHNXCESA-N 1 0 309.366 1.833 20 5 DDBDRO Cc1cc(S(=O)(=O)N(C)C2CC[NH2+]CC2)c([N+](=O)[O-])s1 ZINC000601337718 358505540 /nfs/dbraw/zinc/50/55/40/358505540.db2.gz DIMUJKSJLSHCCM-UHFFFAOYSA-N 1 0 319.408 1.337 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H](C)c1nccn1C ZINC000595381999 356472988 /nfs/dbraw/zinc/47/29/88/356472988.db2.gz AWVANOVNXZUOPC-SNVBAGLBSA-N 1 0 324.362 1.676 20 5 DDBDRO C[C@H](CN1CCOCC1)N(C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595469716 356504729 /nfs/dbraw/zinc/50/47/29/356504729.db2.gz XDIWDQYGQCGJJG-GFCCVEGCSA-N 1 0 311.357 1.886 20 5 DDBDRO C[NH2+]CCCN(C)S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC000601341374 358507050 /nfs/dbraw/zinc/50/70/50/358507050.db2.gz CRNIEBNUCODKNL-UHFFFAOYSA-N 1 0 307.397 1.195 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2C[C@H](C)[C@](C)(CO)C2)c1 ZINC000595860920 356680878 /nfs/dbraw/zinc/68/08/78/356680878.db2.gz NBEQAVFLSDIWMR-ZBEGNZNMSA-N 1 0 322.361 1.832 20 5 DDBDRO CC(C)[C@H]([NH3+])CCNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000595945937 356717575 /nfs/dbraw/zinc/71/75/75/356717575.db2.gz AEPGQNGPVBIVKV-LLVKDONJSA-N 1 0 305.338 1.574 20 5 DDBDRO CN(CC(C)(C)[NH3+])C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000595949144 356718933 /nfs/dbraw/zinc/71/89/33/356718933.db2.gz YDMMLSFMEWYPEL-UHFFFAOYSA-N 1 0 317.349 1.590 20 5 DDBDRO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000595937482 356712915 /nfs/dbraw/zinc/71/29/15/356712915.db2.gz UZECHQSGGLQCDO-NSHDSACASA-N 1 0 307.354 1.170 20 5 DDBDRO CN1CCC[N@H+](CCCNc2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596100900 356772114 /nfs/dbraw/zinc/77/21/14/356772114.db2.gz CXPGKAMHXRFVTO-UHFFFAOYSA-N 1 0 309.370 1.135 20 5 DDBDRO C[NH+]1CCC(CCNc2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000596105039 356773507 /nfs/dbraw/zinc/77/35/07/356773507.db2.gz LSXRZJGBBUXPSN-UHFFFAOYSA-N 1 0 306.366 1.838 20 5 DDBDRO Cc1nc(N2CCC(CO)([NH2+]CC3CC3)CC2)ccc1[N+](=O)[O-] ZINC000596262778 356836399 /nfs/dbraw/zinc/83/63/99/356836399.db2.gz CEPBSXYVDMOQGS-UHFFFAOYSA-N 1 0 320.393 1.629 20 5 DDBDRO CN(C)C(=O)CN(CC[NH+](C)C)Cc1ccccc1[N+](=O)[O-] ZINC000597206519 357092797 /nfs/dbraw/zinc/09/27/97/357092797.db2.gz UHPZAGACLZVWHY-UHFFFAOYSA-N 1 0 308.382 1.047 20 5 DDBDRO COc1cc(C(=O)NCC23CCC[NH+]2CCC3)ccc1[N+](=O)[O-] ZINC000597586476 357239801 /nfs/dbraw/zinc/23/98/01/357239801.db2.gz DCPXMTPDNDKXDC-UHFFFAOYSA-N 1 0 319.361 1.962 20 5 DDBDRO COc1c(C(=O)N[C@@H]2CCC[C@H]2[NH+](C)C)cccc1[N+](=O)[O-] ZINC000597534773 357214107 /nfs/dbraw/zinc/21/41/07/357214107.db2.gz YZSUYZPBRPHYBO-VXGBXAGGSA-N 1 0 307.350 1.816 20 5 DDBDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000598266498 357514610 /nfs/dbraw/zinc/51/46/10/357514610.db2.gz YTPJBZWPRRWAHB-ZDUSSCGKSA-N 1 0 323.397 1.418 20 5 DDBDRO CCC[N@@H+]1CC[C@H](NC(=O)CCn2cc([N+](=O)[O-])nc2C)C1 ZINC000598341379 357543834 /nfs/dbraw/zinc/54/38/34/357543834.db2.gz ADCAFGLKQWERSU-LBPRGKRZSA-N 1 0 309.370 1.090 20 5 DDBDRO O=C(NCC1CC[NH+](CC2CC2)CC1)c1c[nH]nc1[N+](=O)[O-] ZINC000598543599 357628130 /nfs/dbraw/zinc/62/81/30/357628130.db2.gz UUUODWMLGQWNKL-UHFFFAOYSA-N 1 0 307.354 1.170 20 5 DDBDRO C[NH+](C)C[C@@](C)(O)CNC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000178728983 198918305 /nfs/dbraw/zinc/91/83/05/198918305.db2.gz YHQHIKWJSVBZTJ-ZDUSSCGKSA-N 1 0 315.757 1.291 20 5 DDBDRO CC[NH+]1CCC(Nc2nccc(C(=O)OC)c2[N+](=O)[O-])CC1 ZINC000598587006 357641656 /nfs/dbraw/zinc/64/16/56/357641656.db2.gz GPOWNOKRONUKHB-UHFFFAOYSA-N 1 0 308.338 1.673 20 5 DDBDRO CCN1CCN(c2nccc(C(=O)OC)c2[N+](=O)[O-])C[C@H]1C ZINC000598605330 357650368 /nfs/dbraw/zinc/65/03/68/357650368.db2.gz AZYWEIQJZGTFTA-SNVBAGLBSA-N 1 0 308.338 1.307 20 5 DDBDRO C[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1CO ZINC000598652063 357671239 /nfs/dbraw/zinc/67/12/39/357671239.db2.gz WTISVTANRRKVJE-CHWSQXEVSA-N 1 0 321.377 1.874 20 5 DDBDRO O=C(NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccc([N+](=O)[O-])[nH]1 ZINC000598559947 357631873 /nfs/dbraw/zinc/63/18/73/357631873.db2.gz JLXRHSBADRQABS-LBPRGKRZSA-N 1 0 306.366 1.775 20 5 DDBDRO O=C(NCCOCCF)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000598562976 357634372 /nfs/dbraw/zinc/63/43/72/357634372.db2.gz WRKQUYFZRIWGET-UHFFFAOYSA-N 1 0 322.296 1.496 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)N2CC[NH2+][C@@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000598569234 357635157 /nfs/dbraw/zinc/63/51/57/357635157.db2.gz BZBAGIBJHCTSKN-SNVBAGLBSA-N 1 0 309.370 1.511 20 5 DDBDRO COC(=O)COc1ccc(C[NH2+][C@H]2C[C@H](OC)C2)cc1[N+](=O)[O-] ZINC000599015825 357794598 /nfs/dbraw/zinc/79/45/98/357794598.db2.gz PSSSEXXVJJWCJA-HAQNSBGRSA-N 1 0 324.333 1.414 20 5 DDBDRO NC(=O)[C@H]1C[C@H]([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000599071593 357807394 /nfs/dbraw/zinc/80/73/94/357807394.db2.gz YILRYVPFIIQUAX-IHRRRGAJSA-N 1 0 303.362 1.769 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCN1CC[C@@H](O)C1 ZINC000599085291 357810441 /nfs/dbraw/zinc/81/04/41/357810441.db2.gz ORZYPVSBWGZMAV-WCQYABFASA-N 1 0 309.366 1.321 20 5 DDBDRO Cc1cc(S(=O)(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)ccc1[N+](=O)[O-] ZINC000599104713 357816804 /nfs/dbraw/zinc/81/68/04/357816804.db2.gz NGERHEPGNKJMEO-WDEREUQCSA-N 1 0 313.379 1.322 20 5 DDBDRO COc1cc(C(=O)N[C@@H](C)CC[NH+](C)C)cc([N+](=O)[O-])c1C ZINC000276760156 213092525 /nfs/dbraw/zinc/09/25/25/213092525.db2.gz AGJASWDJJLGMPX-JTQLQIEISA-N 1 0 309.366 1.982 20 5 DDBDRO CC1([NH+]2CCOCC2)CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000599160260 357833187 /nfs/dbraw/zinc/83/31/87/357833187.db2.gz KVQNDTBDSUCXJC-UHFFFAOYSA-N 1 0 322.365 1.387 20 5 DDBDRO C[N@@H+]1CC[C@@H](NC(=O)c2[nH]ncc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000179338573 199017836 /nfs/dbraw/zinc/01/78/36/199017836.db2.gz KGDKJGXCIKJHIH-RISCZKNCSA-N 1 0 315.333 1.493 20 5 DDBDRO COc1cc(C[N@H+]2C[C@](C)(CO)[C@](C)(CO)C2)ccc1[N+](=O)[O-] ZINC000599623338 357996154 /nfs/dbraw/zinc/99/61/54/357996154.db2.gz LSWUCYYXOKRRJH-IYBDPMFKSA-N 1 0 324.377 1.416 20 5 DDBDRO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000599624507 357996812 /nfs/dbraw/zinc/99/68/12/357996812.db2.gz FOQATVXTUNJZKU-CQUYNDQOSA-N 1 0 324.377 1.736 20 5 DDBDRO COC(=O)[C@@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)[C@@H]2CCC[C@H]21 ZINC000599661225 358013693 /nfs/dbraw/zinc/01/36/93/358013693.db2.gz TVCUSCRLCKCBBO-YNEHKIRRSA-N 1 0 322.365 1.455 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)C[C@H]1C[C@@H](O)C1 ZINC000599672403 358019135 /nfs/dbraw/zinc/01/91/35/358019135.db2.gz OMJZSXSHSIMEQG-XBXGTLAGSA-N 1 0 321.377 1.935 20 5 DDBDRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)CCOc3ccccc3[N+](=O)[O-])C[C@@H]12 ZINC000184948889 199785973 /nfs/dbraw/zinc/78/59/73/199785973.db2.gz XMQUSZXBTXSXTH-YNEHKIRRSA-N 1 0 319.361 1.559 20 5 DDBDRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000599916806 358079616 /nfs/dbraw/zinc/07/96/16/358079616.db2.gz DXVHSFAUNXJVRB-QWHCGFSZSA-N 1 0 306.366 1.843 20 5 DDBDRO C[NH2+]C[C@H]1CCN(C(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000237321122 202229508 /nfs/dbraw/zinc/22/95/08/202229508.db2.gz XOOHOGHBGWHIAT-SNVBAGLBSA-N 1 0 323.349 1.294 20 5 DDBDRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(c2sccc2[N+](=O)[O-])CC1 ZINC000302042545 283350089 /nfs/dbraw/zinc/35/00/89/283350089.db2.gz WXOOLKDFBFPMRG-LLVKDONJSA-N 1 0 324.406 1.575 20 5 DDBDRO C[C@H]1CCC[N@H+](CCNC(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000180531269 199172116 /nfs/dbraw/zinc/17/21/16/199172116.db2.gz WCYCXPHWKCXJRY-JTQLQIEISA-N 1 0 307.354 1.034 20 5 DDBDRO C[NH2+]C1(CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CCC1 ZINC000600824695 358326038 /nfs/dbraw/zinc/32/60/38/358326038.db2.gz NABPCCLHBFLPBA-UHFFFAOYSA-N 1 0 302.334 1.948 20 5 DDBDRO C[N@@H+]1CC[C@H](CNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000180838236 199216113 /nfs/dbraw/zinc/21/61/13/199216113.db2.gz XRPMOQFJBMVXQJ-SECBINFHSA-N 1 0 307.306 1.005 20 5 DDBDRO C[NH+](C)CCCNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000358912836 299278843 /nfs/dbraw/zinc/27/88/43/299278843.db2.gz ZRTKRIGKCRYMAM-UHFFFAOYSA-N 1 0 317.292 1.878 20 5 DDBDRO O=[N+]([O-])c1ccc2nccc(N3CC[NH+](CCO)CC3)c2c1 ZINC000601100104 358401977 /nfs/dbraw/zinc/40/19/77/358401977.db2.gz LHDKXZOWBLYTFF-UHFFFAOYSA-N 1 0 302.334 1.257 20 5 DDBDRO COc1cccc(C(=O)N2CCC[C@@H]3C[NH2+]CC[C@H]32)c1[N+](=O)[O-] ZINC000601553581 358598798 /nfs/dbraw/zinc/59/87/98/358598798.db2.gz OSYPCVIVWNYGKE-DGCLKSJQSA-N 1 0 319.361 1.818 20 5 DDBDRO O=C(CNc1ccccc1[N+](=O)[O-])N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000601975369 358761916 /nfs/dbraw/zinc/76/19/16/358761916.db2.gz OFSOCBUHWBIPMM-ABAIWWIYSA-N 1 0 304.350 1.265 20 5 DDBDRO Cc1cc(C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)ccc1[N+](=O)[O-] ZINC000601976964 358762789 /nfs/dbraw/zinc/76/27/89/358762789.db2.gz RWVZLKNRGMTLRH-IYBDPMFKSA-N 1 0 303.362 1.975 20 5 DDBDRO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)CNc1ccccc1[N+](=O)[O-])C2 ZINC000601976999 358762909 /nfs/dbraw/zinc/76/29/09/358762909.db2.gz SWLSNQHSXDFKDP-IYBDPMFKSA-N 1 0 318.377 1.465 20 5 DDBDRO C[N@@H+]1CC[C@@H](CC(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)C1 ZINC000602131711 358835430 /nfs/dbraw/zinc/83/54/30/358835430.db2.gz GMJOGJJBHNBYIF-NSHDSACASA-N 1 0 304.350 1.216 20 5 DDBDRO COC[C@@]1(C(=O)NCc2ccccc2[N+](=O)[O-])CCCC[NH2+]1 ZINC000602439243 358977075 /nfs/dbraw/zinc/97/70/75/358977075.db2.gz INJGVWGMXDMLQE-OAHLLOKOSA-N 1 0 307.350 1.370 20 5 DDBDRO COc1cc(C(=O)N2CC[NH2+]C[C@H]2C(C)C)cc([N+](=O)[O-])c1C ZINC000602530930 359030525 /nfs/dbraw/zinc/03/05/25/359030525.db2.gz SQJYWJRXSOCXDO-AWEZNQCLSA-N 1 0 321.377 1.982 20 5 DDBDRO CC(C)[C@H]1C[NH2+]CCN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000602531656 359030557 /nfs/dbraw/zinc/03/05/57/359030557.db2.gz WHGKFPOSBRTIAB-OAHLLOKOSA-N 1 0 305.378 1.984 20 5 DDBDRO O=C(c1c(F)cccc1[N+](=O)[O-])N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000602490703 359013818 /nfs/dbraw/zinc/01/38/18/359013818.db2.gz FNJNKQKMWYKJLA-OAHLLOKOSA-N 1 0 307.325 1.950 20 5 DDBDRO CC(C)(C)[C@@H](O)C[C@@H](CO)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602656243 359103747 /nfs/dbraw/zinc/10/37/47/359103747.db2.gz XJJJSUYOEIKLDR-ZFWWWQNUSA-N 1 0 310.394 1.885 20 5 DDBDRO C[N@H+]1C[C@H]2[C@@H](CCN2Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602673577 359117883 /nfs/dbraw/zinc/11/78/83/359117883.db2.gz WAVQSHPJGFRCTJ-GWCFXTLKSA-N 1 0 302.334 1.872 20 5 DDBDRO CC(C)(CO)CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602674403 359118311 /nfs/dbraw/zinc/11/83/11/359118311.db2.gz PMNPBJMVZVDUMK-UHFFFAOYSA-N 1 0 322.409 1.957 20 5 DDBDRO CC[C@H](O)CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602577243 359052010 /nfs/dbraw/zinc/05/20/10/359052010.db2.gz RLAXLAKZHJAVCQ-AWEZNQCLSA-N 1 0 308.382 1.709 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]3CC[C@H](O)CC3)CC2)cn1 ZINC000602576153 359052629 /nfs/dbraw/zinc/05/26/29/359052629.db2.gz NJSBSRUZZYKNII-NNUKFRKNSA-N 1 0 320.393 1.852 20 5 DDBDRO C[C@@H]1OCC[C@H]1C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000602837530 359227776 /nfs/dbraw/zinc/22/77/76/359227776.db2.gz ONSKEDOGUJJSSX-STQMWFEESA-N 1 0 306.366 1.537 20 5 DDBDRO CCN(C)C(=O)CC[NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602963276 359326211 /nfs/dbraw/zinc/32/62/11/359326211.db2.gz UGLXXDMULUXKFM-HNNXBMFYSA-N 1 0 309.366 1.260 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H](CO)C[NH+]1CCCC1 ZINC000603054251 359379392 /nfs/dbraw/zinc/37/93/92/359379392.db2.gz WMNZOYUSJTVJPQ-CYBMUJFWSA-N 1 0 321.377 1.398 20 5 DDBDRO O=[N+]([O-])c1cccc(OCCn2cc(C3CC[NH2+]CC3)nn2)c1 ZINC000603200962 359476557 /nfs/dbraw/zinc/47/65/57/359476557.db2.gz LGXVZWZAYJCQBJ-UHFFFAOYSA-N 1 0 317.349 1.732 20 5 DDBDRO CC1(CO)CC[NH+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000186975547 200042730 /nfs/dbraw/zinc/04/27/30/200042730.db2.gz FHQBZMASAIMARX-CQSZACIVSA-N 1 0 324.377 1.429 20 5 DDBDRO C[C@H]1CC[C@](CO)([N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000187963213 200183883 /nfs/dbraw/zinc/18/38/83/200183883.db2.gz QOYFSAWGCNGBHS-WFASDCNBSA-N 1 0 309.366 1.239 20 5 DDBDRO C[NH+](C)CC1(NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CCC1 ZINC000281059876 216053000 /nfs/dbraw/zinc/05/30/00/216053000.db2.gz LGXRQCNWCSXLCS-UHFFFAOYSA-N 1 0 321.333 1.538 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N(C)[C@@H](C)C[NH3+] ZINC000237487524 202267134 /nfs/dbraw/zinc/26/71/34/202267134.db2.gz ZEIDTSZPWDUWOT-JTQLQIEISA-N 1 0 301.368 1.179 20 5 DDBDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000188295806 200223822 /nfs/dbraw/zinc/22/38/22/200223822.db2.gz PILPQKNBAAEKJD-LBPRGKRZSA-N 1 0 324.381 1.264 20 5 DDBDRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000237876365 202374849 /nfs/dbraw/zinc/37/48/49/202374849.db2.gz VEBABKFVTOAXMQ-FZMZJTMJSA-N 1 0 307.350 1.607 20 5 DDBDRO Cc1cc(C)c(S(=O)(=O)N[C@H](C)C[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000565774620 304091175 /nfs/dbraw/zinc/09/11/75/304091175.db2.gz IABXTSVMEZMILZ-WDEREUQCSA-N 1 0 315.395 1.616 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC[C@H]([NH2+]C(C)C)C1 ZINC000609135493 360264258 /nfs/dbraw/zinc/26/42/58/360264258.db2.gz NELWBKBWNYDDOZ-ZDUSSCGKSA-N 1 0 323.397 1.479 20 5 DDBDRO C[N@@H+]1CCC[C@@H](NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000609257579 360277310 /nfs/dbraw/zinc/27/73/10/360277310.db2.gz BRNUSBPNJJNBCF-CQSZACIVSA-N 1 0 320.393 1.997 20 5 DDBDRO CCc1n[nH]c(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c1[N+](=O)[O-] ZINC000609469539 360311651 /nfs/dbraw/zinc/31/16/51/360311651.db2.gz FMMCURXDIMBCGI-UHFFFAOYSA-N 1 0 323.397 1.919 20 5 DDBDRO O=C1N[C@H]2CC[N@@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)C[C@@H]2CO1 ZINC000281201901 216150563 /nfs/dbraw/zinc/15/05/63/216150563.db2.gz CLXHUEQMRUVWRN-XBFCOCLRSA-N 1 0 321.333 1.059 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000610276236 360406581 /nfs/dbraw/zinc/40/65/81/360406581.db2.gz FPEBRRXHRXZSLL-HIFRSBDPSA-N 1 0 305.378 1.939 20 5 DDBDRO CC[N@H+](CCC(F)(F)F)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000610368178 360423087 /nfs/dbraw/zinc/42/30/87/360423087.db2.gz VKZXESYZRYGLJS-SNVBAGLBSA-N 1 0 310.276 1.427 20 5 DDBDRO C[N@@H+]1CCC[C@@H](NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC000611195856 360656252 /nfs/dbraw/zinc/65/62/52/360656252.db2.gz YXFPSHHEEFAWTN-SNVBAGLBSA-N 1 0 302.334 1.900 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC[C@H]([NH+]3CCOCC3)CC2)cn1 ZINC000565906568 304103053 /nfs/dbraw/zinc/10/30/53/304103053.db2.gz ZBJNYGXKASNBRX-ZDUSSCGKSA-N 1 0 306.366 1.681 20 5 DDBDRO Cc1ccc(C)c(S(=O)(=O)N2CC[C@@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC000193252585 201013909 /nfs/dbraw/zinc/01/39/09/201013909.db2.gz BWOGDUAZMCXWQS-NSHDSACASA-N 1 0 313.379 1.181 20 5 DDBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000193648519 201096384 /nfs/dbraw/zinc/09/63/84/201096384.db2.gz BTGNDQNXGHFXCE-LLVKDONJSA-N 1 0 322.365 1.499 20 5 DDBDRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000618923051 363802480 /nfs/dbraw/zinc/80/24/80/363802480.db2.gz BUARQHZQJRDPRP-INIZCTEOSA-N 1 0 321.377 1.052 20 5 DDBDRO NC(=O)c1ccc(N2CC[C@@H](C[NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000292943774 223321330 /nfs/dbraw/zinc/32/13/30/223321330.db2.gz BLDBAYFVDPFVQH-LBPRGKRZSA-N 1 0 318.377 1.616 20 5 DDBDRO CCC[C@@H]1C[NH2+]CCN1C(=O)CCn1nc(C)c([N+](=O)[O-])c1C ZINC000359225242 299364991 /nfs/dbraw/zinc/36/49/91/299364991.db2.gz TUGLBTVMYDIDHR-CYBMUJFWSA-N 1 0 323.397 1.399 20 5 DDBDRO COC(=O)c1cc(NC(=O)[C@@]2(F)CC[NH2+]C2)cc([N+](=O)[O-])c1 ZINC000377145495 307264430 /nfs/dbraw/zinc/26/44/30/307264430.db2.gz WROXHCQZKRCUHU-CYBMUJFWSA-N 1 0 311.269 1.022 20 5 DDBDRO C[C@@H](NC(=O)[C@@H]([NH3+])C1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000261899320 203147737 /nfs/dbraw/zinc/14/77/37/203147737.db2.gz WJRBMFGKOJNNGF-YGRLFVJLSA-N 1 0 307.350 1.526 20 5 DDBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000359293526 299399805 /nfs/dbraw/zinc/39/98/05/299399805.db2.gz VKRSDRBIKFKQCH-IJLUTSLNSA-N 1 0 304.350 1.073 20 5 DDBDRO COc1ccc(C(=O)NC[C@]2(C)CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000262344776 203269701 /nfs/dbraw/zinc/26/97/01/203269701.db2.gz USXRZKGELNZUQL-OAHLLOKOSA-N 1 0 307.350 1.723 20 5 DDBDRO C[NH2+]C[C@H]1CCCN(C(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000262516448 203317115 /nfs/dbraw/zinc/31/71/15/203317115.db2.gz SHRHQLJKNLDSGX-CYBMUJFWSA-N 1 0 321.377 1.822 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[C@H]([NH+](C)C)C1 ZINC000093986100 193334735 /nfs/dbraw/zinc/33/47/35/193334735.db2.gz HHIDMBHLRMVLFU-MNOVXSKESA-N 1 0 307.350 1.816 20 5 DDBDRO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N(C)CC[NH+](C)C ZINC000094780208 193397006 /nfs/dbraw/zinc/39/70/06/193397006.db2.gz KKPDDXRKEQDUMO-UHFFFAOYSA-N 1 0 319.358 1.224 20 5 DDBDRO CS[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C[C@@H]1[NH+]1CCCC1 ZINC000274977255 212054195 /nfs/dbraw/zinc/05/41/95/212054195.db2.gz BEJLSWMTYBERAA-RYUDHWBXSA-N 1 0 324.406 1.575 20 5 DDBDRO C[NH+](C)CCC1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000264941250 204288907 /nfs/dbraw/zinc/28/89/07/204288907.db2.gz VYNJLFDVWIGAOE-UHFFFAOYSA-N 1 0 323.397 1.372 20 5 DDBDRO C[NH+](C)CCCCNC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000264959011 204303095 /nfs/dbraw/zinc/30/30/95/204303095.db2.gz ZHCYWIQCVNOAPJ-UHFFFAOYSA-N 1 0 323.349 1.244 20 5 DDBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000288249713 220042562 /nfs/dbraw/zinc/04/25/62/220042562.db2.gz GAFYIULEFCMPGT-QWHCGFSZSA-N 1 0 321.381 1.267 20 5 DDBDRO CC[C@H](CO)[NH+]1CCN(c2ccc([N+](=O)[O-])c3nonc32)CC1 ZINC000266230462 205202177 /nfs/dbraw/zinc/20/21/77/205202177.db2.gz UAXNOCWXXPKHRJ-SNVBAGLBSA-N 1 0 321.337 1.024 20 5 DDBDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000266320080 205263357 /nfs/dbraw/zinc/26/33/57/205263357.db2.gz RVGDKYMPBQVQQS-GRYCIOLGSA-N 1 0 307.350 1.936 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC(C)(C)OCCO ZINC000288381577 220122024 /nfs/dbraw/zinc/12/20/24/220122024.db2.gz GCPZHDXFKJQRKC-UHFFFAOYSA-N 1 0 312.366 1.871 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](CO)C[NH+]1CCCCC1 ZINC000288539896 220218600 /nfs/dbraw/zinc/21/86/00/220218600.db2.gz OVCOEYNYIVANRH-ZDUSSCGKSA-N 1 0 321.377 1.480 20 5 DDBDRO C[C@H](CCCC[NH3+])NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000336829541 249240595 /nfs/dbraw/zinc/24/05/95/249240595.db2.gz CPMDVWAOXRVVLT-SNVBAGLBSA-N 1 0 301.368 1.391 20 5 DDBDRO C[C@@H](CO)[C@@H](C)[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000274013355 211271246 /nfs/dbraw/zinc/27/12/46/211271246.db2.gz LZYDNRJLSWHIHR-VHSXEESVSA-N 1 0 306.322 1.751 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](C)[C@@H](C)CO ZINC000274007799 211265903 /nfs/dbraw/zinc/26/59/03/211265903.db2.gz LIYLIEYESVYSNE-NWDGAFQWSA-N 1 0 309.366 1.838 20 5 DDBDRO CCOc1cccc(NCCN2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000273820768 211088010 /nfs/dbraw/zinc/08/80/10/211088010.db2.gz CQTXDGRLDUDGCS-UHFFFAOYSA-N 1 0 308.382 1.653 20 5 DDBDRO CC[C@H]1C[N@H+](C)CCN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000567435193 304218664 /nfs/dbraw/zinc/21/86/64/304218664.db2.gz JPFVJIOMRYWUKH-ZDUSSCGKSA-N 1 0 320.393 1.584 20 5 DDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC1(C[NH3+])CCCC1 ZINC000109706155 194279791 /nfs/dbraw/zinc/27/97/91/194279791.db2.gz SWQXUODTSMGTTJ-UHFFFAOYSA-N 1 0 313.379 1.453 20 5 DDBDRO C[C@H]([NH3+])CCNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000063170832 184275722 /nfs/dbraw/zinc/27/57/22/184275722.db2.gz ZGIBQLDEKLXBME-ZETCQYMHSA-N 1 0 307.759 1.264 20 5 DDBDRO C[C@H](NC(=O)COc1ccccc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000269168424 207291263 /nfs/dbraw/zinc/29/12/63/207291263.db2.gz DQEFHXHTDCDUPD-RYUDHWBXSA-N 1 0 307.350 1.478 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000065867576 184381713 /nfs/dbraw/zinc/38/17/13/184381713.db2.gz JITQFLYFCGNLKI-LLVKDONJSA-N 1 0 309.370 1.090 20 5 DDBDRO CC(C)[C@H]([NH3+])CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000269266242 207410028 /nfs/dbraw/zinc/41/00/28/207410028.db2.gz KYLFZRRQIWNDPO-CQSZACIVSA-N 1 0 308.382 1.886 20 5 DDBDRO COCC[N@@H+]1CC[C@H](NC(=O)c2cccc(OC)c2[N+](=O)[O-])C1 ZINC000444177172 532985041 /nfs/dbraw/zinc/98/50/41/532985041.db2.gz SUPXTHZWJJHNNE-NSHDSACASA-N 1 0 323.349 1.054 20 5 DDBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](CCO)CC1CC1 ZINC000352479101 285080428 /nfs/dbraw/zinc/08/04/28/285080428.db2.gz AOCOHFSSARFWJL-LLVKDONJSA-N 1 0 307.350 1.626 20 5 DDBDRO CNc1c(C(=O)NC[C@@](C)(O)CC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000420022031 533042506 /nfs/dbraw/zinc/04/25/06/533042506.db2.gz VIIMAVIPMHBEIO-HNNXBMFYSA-N 1 0 324.381 1.069 20 5 DDBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H](O)Cn1cccn1 ZINC000352545625 285130808 /nfs/dbraw/zinc/13/08/08/285130808.db2.gz YSGPKOGIOJBVIV-CQSZACIVSA-N 1 0 304.350 1.327 20 5 DDBDRO Cn1c(=O)oc2cc(C[NH2+]CCn3cc([N+](=O)[O-])cn3)ccc21 ZINC000352672552 285215380 /nfs/dbraw/zinc/21/53/80/285215380.db2.gz UGQZJEQGSIIFPW-UHFFFAOYSA-N 1 0 317.305 1.026 20 5 DDBDRO CN(C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)C1CC([NH3+])C1 ZINC000294810079 224236413 /nfs/dbraw/zinc/23/64/13/224236413.db2.gz JIDASZYSTQJYFD-UHFFFAOYSA-N 1 0 315.333 1.342 20 5 DDBDRO C[NH2+]CCN(C)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000120518266 195182086 /nfs/dbraw/zinc/18/20/86/195182086.db2.gz CWDFYPUJPKFBRC-UHFFFAOYSA-N 1 0 306.366 1.486 20 5 DDBDRO CC(C)C[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000120739901 195227575 /nfs/dbraw/zinc/22/75/75/195227575.db2.gz ZLTBJHQGTIBLGW-UHFFFAOYSA-N 1 0 301.368 1.119 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](F)C1 ZINC000451189548 533224084 /nfs/dbraw/zinc/22/40/84/533224084.db2.gz FPFXJJDXFQVQSV-JTQLQIEISA-N 1 0 311.313 1.976 20 5 DDBDRO CC[C@@H]([NH2+]CCCn1cc(CO)nn1)c1cccc([N+](=O)[O-])c1 ZINC000289969114 221349731 /nfs/dbraw/zinc/34/97/31/221349731.db2.gz XIRCKSDKIKSCOB-OAHLLOKOSA-N 1 0 319.365 1.810 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[NH2+]C(C)(C)C1 ZINC000414661065 533225445 /nfs/dbraw/zinc/22/54/45/533225445.db2.gz WPDZANGCUKJFQY-UHFFFAOYSA-N 1 0 308.338 1.819 20 5 DDBDRO COc1cc(C(=O)N2CCC[C@H](C[NH3+])C2)cc([N+](=O)[O-])c1C ZINC000297436523 533520337 /nfs/dbraw/zinc/52/03/37/533520337.db2.gz UJPYWPRPULESDZ-LLVKDONJSA-N 1 0 307.350 1.723 20 5 DDBDRO COc1ccc(CNC(=O)N(C)C2CC([NH3+])C2)cc1[N+](=O)[O-] ZINC000417201534 533592152 /nfs/dbraw/zinc/59/21/52/533592152.db2.gz WKMUGKSCPGGAER-UHFFFAOYSA-N 1 0 308.338 1.235 20 5 DDBDRO C[C@@H]1C[C@@H](NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000418594450 533607086 /nfs/dbraw/zinc/60/70/86/533607086.db2.gz FOHIFNMWGFQJKM-YPMHNXCESA-N 1 0 306.366 1.877 20 5 DDBDRO Cc1n[nH]c(C(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000299527514 533667899 /nfs/dbraw/zinc/66/78/99/533667899.db2.gz KRGJKORWWCXHFK-BONVTDFDSA-N 1 0 323.397 1.867 20 5 DDBDRO CC[NH+](CC)CCO[C@H]1CCN(c2ccc([N+](=O)[O-])nc2)C1 ZINC000353470079 285752902 /nfs/dbraw/zinc/75/29/02/285752902.db2.gz CFDHLVBFJXCDSQ-AWEZNQCLSA-N 1 0 308.382 1.927 20 5 DDBDRO CC[NH+]1CCC(NS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000014096766 406869713 /nfs/dbraw/zinc/86/97/13/406869713.db2.gz SALFTONSOZTBDJ-UHFFFAOYSA-N 1 0 313.379 1.357 20 5 DDBDRO COCC[N@H+](C)CCCNC(=O)c1csc([N+](=O)[O-])c1 ZINC000044521397 407025106 /nfs/dbraw/zinc/02/51/06/407025106.db2.gz BZANDWZMHNXYIJ-UHFFFAOYSA-N 1 0 301.368 1.354 20 5 DDBDRO Cc1ccc(NC(=O)C(=O)NC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000048773555 407106843 /nfs/dbraw/zinc/10/68/43/407106843.db2.gz APUHZXUOGGEXIB-UHFFFAOYSA-N 1 0 320.349 1.052 20 5 DDBDRO C[NH+](C)CC(C)(C)CNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000046124701 407055835 /nfs/dbraw/zinc/05/58/35/407055835.db2.gz KOCCGGVOCPZURG-UHFFFAOYSA-N 1 0 309.366 1.678 20 5 DDBDRO COCC[N@H+](C)CCCNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000079670138 407060632 /nfs/dbraw/zinc/06/06/32/407060632.db2.gz QAPJHHFQSPGDAQ-UHFFFAOYSA-N 1 0 324.381 1.362 20 5 DDBDRO CN(C)C(=O)C1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000051230358 407137394 /nfs/dbraw/zinc/13/73/94/407137394.db2.gz NNDSHTQNPVPPES-UHFFFAOYSA-N 1 0 321.377 1.774 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H]2CCC[NH2+]2)cc1C ZINC000053254418 407165019 /nfs/dbraw/zinc/16/50/19/407165019.db2.gz XBWGGGWTXYAYOR-NSHDSACASA-N 1 0 313.379 1.242 20 5 DDBDRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000065209206 407240595 /nfs/dbraw/zinc/24/05/95/407240595.db2.gz JHCUTBVBEODPNV-AWEZNQCLSA-N 1 0 307.350 1.526 20 5 DDBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000068011971 407293488 /nfs/dbraw/zinc/29/34/88/407293488.db2.gz NQJRFKWOPHTPNQ-SNVBAGLBSA-N 1 0 310.329 1.530 20 5 DDBDRO C[C@@H](CNC(=O)Cn1ccc([N+](=O)[O-])n1)[N@@H+]1CCC[C@H](C)C1 ZINC000068084340 407294283 /nfs/dbraw/zinc/29/42/83/407294283.db2.gz STEKDNZZAHAXKO-RYUDHWBXSA-N 1 0 309.370 1.028 20 5 DDBDRO CC(C)N(CCS(C)(=O)=O)Cc1ccccc1[N+](=O)[O-] ZINC000122435276 407300920 /nfs/dbraw/zinc/30/09/20/407300920.db2.gz VJNKKTCLQOQDAB-UHFFFAOYSA-N 1 0 300.380 1.850 20 5 DDBDRO C[C@@H]1C[NH2+]CCN1C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000124772788 407369214 /nfs/dbraw/zinc/36/92/14/407369214.db2.gz CNXUEESPWXVGSX-LLVKDONJSA-N 1 0 315.333 1.214 20 5 DDBDRO C[N@@H+]1CCC[C@@H](CNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000108343040 407384848 /nfs/dbraw/zinc/38/48/48/407384848.db2.gz NWWYVTHUXKMEJE-JTQLQIEISA-N 1 0 317.349 1.543 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000125199997 407381506 /nfs/dbraw/zinc/38/15/06/407381506.db2.gz HOQQGRHWQQLTBN-LBPRGKRZSA-N 1 0 321.381 1.276 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2[C@@H]3CC[C@H]2CC(O)C3)c1 ZINC000111321321 407407463 /nfs/dbraw/zinc/40/74/63/407407463.db2.gz HUAFIPJOXJLXGC-KNUOEEMSSA-N 1 0 322.361 1.322 20 5 DDBDRO C[C@H](C[S@@](C)=O)[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000126469573 407413859 /nfs/dbraw/zinc/41/38/59/407413859.db2.gz LLGLWCJQYKMWLV-GIPWTMENSA-N 1 0 300.380 1.672 20 5 DDBDRO C[NH2+]CCCN(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000127097810 407428016 /nfs/dbraw/zinc/42/80/16/407428016.db2.gz SRKYVWKDOCMENF-UHFFFAOYSA-N 1 0 321.786 1.478 20 5 DDBDRO C[NH2+]CCCN(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000127097292 407428103 /nfs/dbraw/zinc/42/81/03/407428103.db2.gz ULFDIHNZAUFTGP-UHFFFAOYSA-N 1 0 301.368 1.133 20 5 DDBDRO C[C@@H]1C[C@@H](N(C)C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000127915725 407478805 /nfs/dbraw/zinc/47/88/05/407478805.db2.gz DMVIHVFDNNADGT-PWSUYJOCSA-N 1 0 306.366 1.732 20 5 DDBDRO C[N@@H+]1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C(C)(C)C1 ZINC000271063462 407493830 /nfs/dbraw/zinc/49/38/30/407493830.db2.gz TUTUCRVLOMYTLN-AWEZNQCLSA-N 1 0 323.393 1.361 20 5 DDBDRO CN(CCC[NH+](C)C)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000185596612 407457380 /nfs/dbraw/zinc/45/73/80/407457380.db2.gz LHUDAGVNSVMHFT-UHFFFAOYSA-N 1 0 308.382 1.730 20 5 DDBDRO C[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000265795789 407460216 /nfs/dbraw/zinc/46/02/16/407460216.db2.gz MKUSOXXRBLTAAT-LBPRGKRZSA-N 1 0 305.378 1.940 20 5 DDBDRO C[NH+](C)[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000152200383 407584011 /nfs/dbraw/zinc/58/40/11/407584011.db2.gz IKGUCWPWFGOIED-NSHDSACASA-N 1 0 314.345 1.919 20 5 DDBDRO COCC1=CC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000185824236 407510525 /nfs/dbraw/zinc/51/05/25/407510525.db2.gz IXVRDDLIJRUQQO-OAHLLOKOSA-N 1 0 322.361 1.613 20 5 DDBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](CC3(CO)COC3)CC2)cc1 ZINC000151870329 407517561 /nfs/dbraw/zinc/51/75/61/407517561.db2.gz SNVKVJPTEOPVTQ-UHFFFAOYSA-N 1 0 322.361 1.447 20 5 DDBDRO CC(C)(C)[C@H](C[NH3+])NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000261594970 407545422 /nfs/dbraw/zinc/54/54/22/407545422.db2.gz BSUZADVERHCLQZ-LBPRGKRZSA-N 1 0 315.395 1.388 20 5 DDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000261598549 407546803 /nfs/dbraw/zinc/54/68/03/407546803.db2.gz QGXMLQKAZQJKJQ-LBPRGKRZSA-N 1 0 315.395 1.555 20 5 DDBDRO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261608982 407550030 /nfs/dbraw/zinc/55/00/30/407550030.db2.gz DNFMAYATXSKMDA-ONGXEEELSA-N 1 0 309.753 1.930 20 5 DDBDRO C[C@@H]1CCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000261731398 407596220 /nfs/dbraw/zinc/59/62/20/407596220.db2.gz HRJJGYYRORBMSB-OLZOCXBDSA-N 1 0 320.393 1.617 20 5 DDBDRO CCOc1ccc(C(=O)N2C[C@H](C[NH3+])C[C@H]2C)cc1[N+](=O)[O-] ZINC000261804292 407621590 /nfs/dbraw/zinc/62/15/90/407621590.db2.gz MBEJFZZOEGIULO-MNOVXSKESA-N 1 0 307.350 1.803 20 5 DDBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NCC2=CC[NH2+]CC2)c1 ZINC000186322149 407638342 /nfs/dbraw/zinc/63/83/42/407638342.db2.gz GNNLEQQAKTZHOW-UHFFFAOYSA-N 1 0 307.375 1.966 20 5 DDBDRO Cn1ccnc1[C@@H]1C[NH2+]CCN1Cc1csc([N+](=O)[O-])c1 ZINC000261846506 407639034 /nfs/dbraw/zinc/63/90/34/407639034.db2.gz XISWOKSAEAYJBL-NSHDSACASA-N 1 0 307.379 1.536 20 5 DDBDRO C[C@@H]1OCC[C@]1(O)C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000227977229 407641802 /nfs/dbraw/zinc/64/18/02/407641802.db2.gz JYKBOZVLCMESBX-ZANVPECISA-N 1 0 300.742 1.878 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1CN1CC[NH2+]C[C@H]1c1nccn1C ZINC000261923435 407675791 /nfs/dbraw/zinc/67/57/91/407675791.db2.gz BXRPPSNIWXFGIT-HNNXBMFYSA-N 1 0 315.377 1.783 20 5 DDBDRO Cn1cc([N+](=O)[O-])c(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)n1 ZINC000271432135 407683709 /nfs/dbraw/zinc/68/37/09/407683709.db2.gz RTIYOIXQKAYSIP-JTQLQIEISA-N 1 0 323.378 1.423 20 5 DDBDRO CN(C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)[C@H]1CC[NH2+]C1 ZINC000179046305 407701836 /nfs/dbraw/zinc/70/18/36/407701836.db2.gz CROLTVJTRPGPEZ-LBPRGKRZSA-N 1 0 315.333 1.214 20 5 DDBDRO Cn1cc([N+](=O)[O-])c(C(=O)N2CCC[N@@H+](C3CCCC3)CC2)n1 ZINC000271390224 407665223 /nfs/dbraw/zinc/66/52/23/407665223.db2.gz KYFRPUGGPVRAEW-UHFFFAOYSA-N 1 0 321.381 1.419 20 5 DDBDRO C[C@@H]([NH2+]CC1(C(N)=O)CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000153094709 407752375 /nfs/dbraw/zinc/75/23/75/407752375.db2.gz KZULVVHONDWWCL-LLVKDONJSA-N 1 0 307.350 1.528 20 5 DDBDRO Cc1ccnc(NCCN2CCC([NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000267195335 407784534 /nfs/dbraw/zinc/78/45/34/407784534.db2.gz NLUIFJZWEBBUHK-UHFFFAOYSA-N 1 0 307.398 1.736 20 5 DDBDRO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000237474261 407821656 /nfs/dbraw/zinc/82/16/56/407821656.db2.gz VYJITDYZRYXCSA-NEPJUHHUSA-N 1 0 306.366 1.369 20 5 DDBDRO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000237992618 407865868 /nfs/dbraw/zinc/86/58/68/407865868.db2.gz OXIPQQVHZJAGPQ-CABZTGNLSA-N 1 0 311.313 1.356 20 5 DDBDRO [NH3+]C[C@@H]1CCC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000238056365 407878296 /nfs/dbraw/zinc/87/82/96/407878296.db2.gz YKTTVWBMYLKSMI-JGVFFNPUSA-N 1 0 305.381 1.062 20 5 DDBDRO COc1ccc(C(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000272544371 407975675 /nfs/dbraw/zinc/97/56/75/407975675.db2.gz CJDIWVPGXCXKDV-RISCZKNCSA-N 1 0 319.361 1.770 20 5 DDBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000268276224 407982061 /nfs/dbraw/zinc/98/20/61/407982061.db2.gz WGHODFVLYIRGOD-IAQYHMDHSA-N 1 0 303.362 1.736 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)Cc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000272441348 407923889 /nfs/dbraw/zinc/92/38/89/407923889.db2.gz INGPOMKBVCEFHH-DOMZBBRYSA-N 1 0 303.362 1.690 20 5 DDBDRO C[C@@H]1C[C@@H](NC(=O)CSc2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000262951215 407982818 /nfs/dbraw/zinc/98/28/18/407982818.db2.gz VMJRVDCAJPULPK-MNOVXSKESA-N 1 0 309.391 1.944 20 5 DDBDRO C[NH+](C)[C@@H](CNC(=O)COc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000079032534 161644934 /nfs/dbraw/zinc/64/49/34/161644934.db2.gz BTIOUHHKAVYBGW-AWEZNQCLSA-N 1 0 307.350 1.430 20 5 DDBDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1c([N+](=O)[O-])cnn1C ZINC000245837976 408074306 /nfs/dbraw/zinc/07/43/06/408074306.db2.gz AWTGRDSSMQMUJK-UTUOFQBUSA-N 1 0 323.397 1.425 20 5 DDBDRO COc1cc(C(=O)NC[C@H]([NH3+])C(C)C)cc([N+](=O)[O-])c1OC ZINC000269273164 408246946 /nfs/dbraw/zinc/24/69/46/408246946.db2.gz NHXZQQOYMFFPOJ-JTQLQIEISA-N 1 0 311.338 1.325 20 5 DDBDRO C[C@H]1CN(C/C=C/c2ccccc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000190240531 408198392 /nfs/dbraw/zinc/19/83/92/408198392.db2.gz FYAIIRXUAMBPQI-YVZNUBBCSA-N 1 0 305.378 1.606 20 5 DDBDRO CCOC(=O)C[C@H](C)[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000182671685 408217569 /nfs/dbraw/zinc/21/75/69/408217569.db2.gz SLBYCEBCTTZCBM-JTQLQIEISA-N 1 0 323.349 1.467 20 5 DDBDRO C[NH2+]CCNC(=O)CSCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000151221760 408277123 /nfs/dbraw/zinc/27/71/23/408277123.db2.gz WXIZGDNIFNEFAF-UHFFFAOYSA-N 1 0 313.379 1.172 20 5 DDBDRO C[C@@H](O)[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000183202337 408352474 /nfs/dbraw/zinc/35/24/74/408352474.db2.gz UVHSEDUHHAFEIX-GHMZBOCLSA-N 1 0 308.334 1.664 20 5 DDBDRO C[C@H](O)[C@@H]1CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000183225392 408359966 /nfs/dbraw/zinc/35/99/66/408359966.db2.gz QQHCYTHPSTUFMN-SCRDCRAPSA-N 1 0 310.350 1.037 20 5 DDBDRO CCOc1ccc(C(=O)N2CC[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000170860055 162195376 /nfs/dbraw/zinc/19/53/76/162195376.db2.gz RCGHAESFCYLIEL-GFCCVEGCSA-N 1 0 307.350 1.770 20 5 DDBDRO Nc1ccc(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000171451212 162219572 /nfs/dbraw/zinc/21/95/72/162219572.db2.gz ODDRGIQDRQGUNL-GFCCVEGCSA-N 1 0 304.350 1.487 20 5 DDBDRO CC(C)[N@@H+]1CCC[C@@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000274555567 408447699 /nfs/dbraw/zinc/44/76/99/408447699.db2.gz YLLDYAPQSJLIQB-CYBMUJFWSA-N 1 0 321.377 1.963 20 5 DDBDRO Cc1c(C(=O)N[C@H](C)[C@@H](C)N2CCOCC2)cccc1[N+](=O)[O-] ZINC000264222949 408410148 /nfs/dbraw/zinc/41/01/48/408410148.db2.gz HFQVFXXGIZSUJH-CHWSQXEVSA-N 1 0 321.377 1.742 20 5 DDBDRO COc1ccc(CN2CC[N@H+](C[C@H](C)O)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000247161599 408418108 /nfs/dbraw/zinc/41/81/08/408418108.db2.gz MIWSTJFFHIUTGG-OLZOCXBDSA-N 1 0 323.393 1.490 20 5 DDBDRO Cc1c([C@@H](C)[NH2+]CCn2cc([N+](=O)[O-])ccc2=O)cnn1C ZINC000183470487 408419813 /nfs/dbraw/zinc/41/98/13/408419813.db2.gz WOEZTRXRGSRXDP-SNVBAGLBSA-N 1 0 305.338 1.149 20 5 DDBDRO CCOc1cc(C(=O)N2CC[C@H]([NH2+]C)C2)c([N+](=O)[O-])cc1OC ZINC000160518113 408492523 /nfs/dbraw/zinc/49/25/23/408492523.db2.gz DKCKEUXRJGHZPK-JTQLQIEISA-N 1 0 323.349 1.436 20 5 DDBDRO Cc1n[nH]c(C(=O)N(CC(C)C)C2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000265119906 408558581 /nfs/dbraw/zinc/55/85/81/408558581.db2.gz NIXBFJGVSZIDMA-UHFFFAOYSA-N 1 0 323.397 1.819 20 5 DDBDRO NS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000265205457 408578799 /nfs/dbraw/zinc/57/87/99/408578799.db2.gz KNNCQVJRERXVMN-GFCCVEGCSA-N 1 0 313.379 1.095 20 5 DDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H]([C@H](C)O)C1 ZINC000248586226 408592461 /nfs/dbraw/zinc/59/24/61/408592461.db2.gz QYLOCRBARMMPDC-WOPDTQHZSA-N 1 0 307.350 1.625 20 5 DDBDRO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1[nH]ncc1[N+](=O)[O-] ZINC000270619768 408606927 /nfs/dbraw/zinc/60/69/27/408606927.db2.gz RGNMKUUFYGAAKQ-LBPRGKRZSA-N 1 0 315.333 1.322 20 5 DDBDRO O=C(c1n[nH]cc1[N+](=O)[O-])N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000162670286 408727109 /nfs/dbraw/zinc/72/71/09/408727109.db2.gz WGGAEJYSPPVETO-ZYHUDNBSSA-N 1 0 319.365 1.407 20 5 DDBDRO Cc1c(CN2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000249492440 408731401 /nfs/dbraw/zinc/73/14/01/408731401.db2.gz FNXHOTOTDUYEIS-STQMWFEESA-N 1 0 307.394 1.790 20 5 DDBDRO C[C@@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@H]1CCOC1 ZINC000162742486 408731450 /nfs/dbraw/zinc/73/14/50/408731450.db2.gz PGFDIWIJGNGDGN-YPMHNXCESA-N 1 0 319.361 1.499 20 5 DDBDRO [NH3+]CCCOC1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000162205344 408680464 /nfs/dbraw/zinc/68/04/64/408680464.db2.gz OEQDSKWCSZEEOH-UHFFFAOYSA-N 1 0 321.377 1.494 20 5 DDBDRO O=[N+]([O-])c1ccc(NC2CC[NH+](C[C@@H]3CCOC3)CC2)nc1 ZINC000265552872 408690846 /nfs/dbraw/zinc/69/08/46/408690846.db2.gz ZLCZLDCDODWIFM-LBPRGKRZSA-N 1 0 306.366 1.903 20 5 DDBDRO C[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C[NH3+] ZINC000163791983 408789745 /nfs/dbraw/zinc/78/97/45/408789745.db2.gz PVTLUOUXTVLZNX-QWRGUYRKSA-N 1 0 313.379 1.200 20 5 DDBDRO CCC[N@H+](CCO)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000185183610 408776802 /nfs/dbraw/zinc/77/68/02/408776802.db2.gz FIAYYRGBHCYOBR-UHFFFAOYSA-N 1 0 313.329 1.767 20 5 DDBDRO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000285853558 408875909 /nfs/dbraw/zinc/87/59/09/408875909.db2.gz QHPFRHDJNVXVLC-NSHDSACASA-N 1 0 317.349 1.568 20 5 DDBDRO C[C@@H]1C[C@@H](N2CCOCC2)C[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000285857039 408877740 /nfs/dbraw/zinc/87/77/40/408877740.db2.gz IJSILTPKOHRNOT-CZUORRHYSA-N 1 0 305.378 1.890 20 5 DDBDRO Cc1cc(C(=O)N2CCO[C@@H]3CC[N@@H+](C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000285780980 408863479 /nfs/dbraw/zinc/86/34/79/408863479.db2.gz NAVAKFBQSMKVFV-HUUCEWRRSA-N 1 0 319.361 1.448 20 5 DDBDRO Cc1cccc2c1C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CC2 ZINC000277371233 408928717 /nfs/dbraw/zinc/92/87/17/408928717.db2.gz XQOXCLZKSKOMCX-OAHLLOKOSA-N 1 0 316.361 1.519 20 5 DDBDRO O=C(C[NH2+]C[C@H]1CCCO1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000237921658 163392828 /nfs/dbraw/zinc/39/28/28/163392828.db2.gz CYQITUBWTLOMSZ-CYBMUJFWSA-N 1 0 305.334 1.253 20 5 DDBDRO CCOCC[C@@H](O)C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000277499300 408952358 /nfs/dbraw/zinc/95/23/58/408952358.db2.gz MGUYGYZACUAQEI-MRXNPFEDSA-N 1 0 323.393 1.504 20 5 DDBDRO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000286377210 408972047 /nfs/dbraw/zinc/97/20/47/408972047.db2.gz IEROARFDHHPCAY-LLVKDONJSA-N 1 0 307.354 1.408 20 5 DDBDRO CO[C@@H]1[C@H]2C[C@H]3C[N@H+](CCn4cc([N+](=O)[O-])ccc4=O)[C@H]1[C@H]3C2 ZINC000286435532 408985604 /nfs/dbraw/zinc/98/56/04/408985604.db2.gz JBFVOYUNKKICJH-GSJWJAIFSA-N 1 0 319.361 1.112 20 5 DDBDRO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(c2ccc([N+](=O)[O-])cn2)C1 ZINC000286544953 408991203 /nfs/dbraw/zinc/99/12/03/408991203.db2.gz WVFQGLFPKYFYIA-KBPBESRZSA-N 1 0 306.366 1.679 20 5 DDBDRO Cc1cc(N2CCO[C@@H]3CC[N@@H+](C)C[C@@H]32)c(F)cc1[N+](=O)[O-] ZINC000292701801 409040038 /nfs/dbraw/zinc/04/00/38/409040038.db2.gz SBOMCNDSZACXGE-LSDHHAIUSA-N 1 0 309.341 1.952 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000278054538 409058409 /nfs/dbraw/zinc/05/84/09/409058409.db2.gz UFDFQKBXOFXCPY-UHFFFAOYSA-N 1 0 321.377 1.744 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@H](O)CC2)c1 ZINC000293288053 409083116 /nfs/dbraw/zinc/08/31/16/409083116.db2.gz VURYUIXGWSLYMN-KBPBESRZSA-N 1 0 310.350 1.181 20 5 DDBDRO C[NH+](C)C[C@H](NC(=O)c1cc([N+](=O)[O-])n[nH]1)c1ccc(F)cc1 ZINC000287965093 409123069 /nfs/dbraw/zinc/12/30/69/409123069.db2.gz ARFNSYIFUNCUML-LBPRGKRZSA-N 1 0 321.312 1.490 20 5 DDBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000283472028 409163197 /nfs/dbraw/zinc/16/31/97/409163197.db2.gz MKNCXEAKVAZJPI-SNVBAGLBSA-N 1 0 324.356 1.920 20 5 DDBDRO COC(=O)C1(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000279178091 409164902 /nfs/dbraw/zinc/16/49/02/409164902.db2.gz IBEFISOCWRIIOH-UHFFFAOYSA-N 1 0 319.361 1.670 20 5 DDBDRO C[C@H]([NH2+]CC(C)(C)N1CCOCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284125389 409280487 /nfs/dbraw/zinc/28/04/87/409280487.db2.gz NYPUHYJFJMDTKL-LBPRGKRZSA-N 1 0 322.409 1.938 20 5 DDBDRO CO[C@H]1COC[C@@H]1[NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000290123554 409306002 /nfs/dbraw/zinc/30/60/02/409306002.db2.gz KZGHEZBDVRLOHY-JSGCOSHPSA-N 1 0 323.349 1.235 20 5 DDBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H]2CCCS(=O)(=O)C2)cs1 ZINC000290190880 409316587 /nfs/dbraw/zinc/31/65/87/409316587.db2.gz SXEAIEYCMYKGMJ-SECBINFHSA-N 1 0 304.393 1.571 20 5 DDBDRO CN1CCO[C@@H]2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000284336127 409325519 /nfs/dbraw/zinc/32/55/19/409325519.db2.gz CFYJFQJKSASJBO-LSDHHAIUSA-N 1 0 319.361 1.069 20 5 DDBDRO CCOc1cccc(N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)c1[N+](=O)[O-] ZINC000284995673 409391001 /nfs/dbraw/zinc/39/10/01/409391001.db2.gz LREHYTSGIHXJDQ-ZIAGYGMSSA-N 1 0 321.377 1.903 20 5 DDBDRO C[N@H+](C[C@@H](O)COc1ccc([N+](=O)[O-])c(F)c1F)C1CC1 ZINC000296100497 409429726 /nfs/dbraw/zinc/42/97/26/409429726.db2.gz ZXCWESOZQWMRBO-SECBINFHSA-N 1 0 302.277 1.707 20 5 DDBDRO CC(C)(CC(N)=O)[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000186225922 306717567 /nfs/dbraw/zinc/71/75/67/306717567.db2.gz DIOLPQGJWQEQEX-UHFFFAOYSA-N 1 0 318.333 1.993 20 5 DDBDRO CC(C)(CCC[NH3+])NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000312817390 164008855 /nfs/dbraw/zinc/00/88/55/164008855.db2.gz MIMWDMQSZYZSHV-UHFFFAOYSA-N 1 0 301.368 1.391 20 5 DDBDRO C[C@H](CCCC[NH3+])NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000312908303 164009904 /nfs/dbraw/zinc/00/99/04/164009904.db2.gz ZWTGCYQDBMORLX-SNVBAGLBSA-N 1 0 301.368 1.391 20 5 DDBDRO Nc1c(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc(F)cc1[N+](=O)[O-] ZINC000324549126 164050813 /nfs/dbraw/zinc/05/08/13/164050813.db2.gz YAEUHGAPYHMVND-WDEREUQCSA-N 1 0 322.340 1.673 20 5 DDBDRO O=C(CCn1cc([N+](=O)[O-])cn1)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000363010927 164159694 /nfs/dbraw/zinc/15/96/94/164159694.db2.gz WMQJJUUMKRIUQF-GFCCVEGCSA-N 1 0 321.381 1.315 20 5 DDBDRO CC(C)[N@@H+]1CCC[C@H](CNc2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000290694976 409490149 /nfs/dbraw/zinc/49/01/49/409490149.db2.gz VDGLIZLEIRVDKA-LLVKDONJSA-N 1 0 321.381 1.621 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C)CC[C@H]1C ZINC000354006981 409595043 /nfs/dbraw/zinc/59/50/43/409595043.db2.gz OFCRSYDGTFOLIU-LLVKDONJSA-N 1 0 307.350 1.770 20 5 DDBDRO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000304290282 409597687 /nfs/dbraw/zinc/59/76/87/409597687.db2.gz CFDLHPLGNGUOLU-PAPYEOQZSA-N 1 0 308.382 1.805 20 5 DDBDRO C[C@]1(O)CCOC[C@@H]1[C@@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000331623720 409706823 /nfs/dbraw/zinc/70/68/23/409706823.db2.gz YEXKBUXXPHEAMA-ILXRZTDVSA-N 1 0 324.381 1.043 20 5 DDBDRO CCc1ccc(C(=O)NCC[NH+]2CCC(O)CC2)cc1[N+](=O)[O-] ZINC000296856290 409670885 /nfs/dbraw/zinc/67/08/85/409670885.db2.gz HWWKYSXBBFARFZ-UHFFFAOYSA-N 1 0 321.377 1.344 20 5 DDBDRO COc1cc(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)cc([N+](=O)[O-])c1C ZINC000331595777 409675985 /nfs/dbraw/zinc/67/59/85/409675985.db2.gz YHPBUYQJGQHPJK-LBPRGKRZSA-N 1 0 319.361 1.878 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)NCCNc2cc[nH+]cc2)c1 ZINC000354413833 409837177 /nfs/dbraw/zinc/83/71/77/409837177.db2.gz SMJKZZGFEQMZOO-UHFFFAOYSA-N 1 0 316.317 1.262 20 5 DDBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])nn2C)C[C@@H]1C ZINC000357049850 409819427 /nfs/dbraw/zinc/81/94/27/409819427.db2.gz HOLQMOAPOWWGLM-QWRGUYRKSA-N 1 0 309.370 1.273 20 5 DDBDRO CCN1CCO[C@@H](C(=O)NCc2cccc([N+](=O)[O-])c2C)C1 ZINC000357154825 409906912 /nfs/dbraw/zinc/90/69/12/409906912.db2.gz FKXLWESIFCHIGF-CQSZACIVSA-N 1 0 307.350 1.240 20 5 DDBDRO C[NH2+]C(C)(C)CNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000342775994 409896692 /nfs/dbraw/zinc/89/66/92/409896692.db2.gz AYGKSHDQRFHABP-UHFFFAOYSA-N 1 0 301.368 1.408 20 5 DDBDRO O=[N+]([O-])c1ccc(NC2CC[NH+](C[C@H]3CCOC3)CC2)cn1 ZINC000346459094 409967704 /nfs/dbraw/zinc/96/77/04/409967704.db2.gz XIYFBIUGKREYOZ-GFCCVEGCSA-N 1 0 306.366 1.903 20 5 DDBDRO C[C@H]1C[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000354613087 409968234 /nfs/dbraw/zinc/96/82/34/409968234.db2.gz IMQDGQIITBGJAO-QWRGUYRKSA-N 1 0 313.379 1.356 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000354697971 410024256 /nfs/dbraw/zinc/02/42/56/410024256.db2.gz DYVCCYTUSQSTCJ-CYBMUJFWSA-N 1 0 303.366 1.913 20 5 DDBDRO C[C@@H](C[NH+]1CCCCCC1)Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000357433895 410037108 /nfs/dbraw/zinc/03/71/08/410037108.db2.gz BKJDNDUMLOBSTM-NSHDSACASA-N 1 0 321.381 1.765 20 5 DDBDRO CCOC1(C)CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000298219731 410140055 /nfs/dbraw/zinc/14/00/55/410140055.db2.gz FTMDKVBUPQILGJ-UHFFFAOYSA-N 1 0 309.366 1.648 20 5 DDBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C1CCN(CCO)CC1 ZINC000357643508 410157514 /nfs/dbraw/zinc/15/75/14/410157514.db2.gz DXIGETBYCBOGTD-UHFFFAOYSA-N 1 0 323.393 1.362 20 5 DDBDRO NC(=O)c1cc([N+](=O)[O-])cnc1N1CC[NH+](C2CCCC2)CC1 ZINC000298325536 410180793 /nfs/dbraw/zinc/18/07/93/410180793.db2.gz UVNIWEBAOOQZSJ-UHFFFAOYSA-N 1 0 319.365 1.153 20 5 DDBDRO C[C@@H](CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)[NH+](C)C ZINC000298337045 410186665 /nfs/dbraw/zinc/18/66/65/410186665.db2.gz HBASAKZKQHPPMR-NSHDSACASA-N 1 0 317.349 1.460 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@@H](C)[C@H](O)C1 ZINC000351827956 410271645 /nfs/dbraw/zinc/27/16/45/410271645.db2.gz MSUSNIUMXFCBPM-BXUZGUMPSA-N 1 0 307.350 1.544 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000351860631 410297893 /nfs/dbraw/zinc/29/78/93/410297893.db2.gz GXRSMCQNTIQCFS-NEPJUHHUSA-N 1 0 306.366 1.511 20 5 DDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000351865890 410305526 /nfs/dbraw/zinc/30/55/26/410305526.db2.gz POAKUUGHSFGIQQ-QJPTWQEYSA-N 1 0 306.366 1.591 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000347004176 410306946 /nfs/dbraw/zinc/30/69/46/410306946.db2.gz BGCTZCGMAQWNFM-ZDUSSCGKSA-N 1 0 319.361 1.912 20 5 DDBDRO C[C@@H](CNC(=O)c1c([N+](=O)[O-])cnn1C)[N@@H+]1CCCC[C@@H]1C ZINC000347012137 410312052 /nfs/dbraw/zinc/31/20/52/410312052.db2.gz LSJBRUAPOIIYCR-QWRGUYRKSA-N 1 0 309.370 1.321 20 5 DDBDRO COC(=O)[C@H]1CCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000298777804 410394065 /nfs/dbraw/zinc/39/40/65/410394065.db2.gz DIIBZXMFQSDFJR-QWRGUYRKSA-N 1 0 321.333 1.417 20 5 DDBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CC[NH+](CCO)CC1 ZINC000347332621 410476705 /nfs/dbraw/zinc/47/67/05/410476705.db2.gz GUOMMKIDPYECRR-KAMYIIQDSA-N 1 0 305.378 1.608 20 5 DDBDRO CC[N@@H+]1CC[C@@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000355376251 410481110 /nfs/dbraw/zinc/48/11/10/410481110.db2.gz XEPFMWCKHRBWAD-GJZGRUSLSA-N 1 0 319.361 1.530 20 5 DDBDRO Cc1c(CNC(=O)NC[C@@H]2CCC[N@H+]2C)cccc1[N+](=O)[O-] ZINC000358577104 410484614 /nfs/dbraw/zinc/48/46/14/410484614.db2.gz FYMMWVQENRUMEJ-ZDUSSCGKSA-N 1 0 306.366 1.797 20 5 DDBDRO CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000343550614 410526028 /nfs/dbraw/zinc/52/60/28/410526028.db2.gz CCXJOILHUVPQTH-LLVKDONJSA-N 1 0 306.366 1.781 20 5 DDBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000343615847 410572831 /nfs/dbraw/zinc/57/28/31/410572831.db2.gz RTBLTUWHOUHKOP-ZDUSSCGKSA-N 1 0 320.393 1.997 20 5 DDBDRO CCC[N@@H+]1CCC[C@@H]1CNC(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000343595915 410562062 /nfs/dbraw/zinc/56/20/62/410562062.db2.gz HSOGKQHRPSGMBC-GFCCVEGCSA-N 1 0 309.370 1.090 20 5 DDBDRO CC[C@@H]1CN(c2ncc([N+](=O)[O-])cc2C)CC[N@@H+]1CCOC ZINC000301400404 410715760 /nfs/dbraw/zinc/71/57/60/410715760.db2.gz IGQXZXPSTWGWOC-CYBMUJFWSA-N 1 0 308.382 1.845 20 5 DDBDRO C[C@H]1[C@@H](NC(=O)NCCc2cccc([N+](=O)[O-])c2)CCC[N@@H+]1C ZINC000343914972 410804225 /nfs/dbraw/zinc/80/42/25/410804225.db2.gz WJUIARQZKPMYLV-WFASDCNBSA-N 1 0 320.393 1.919 20 5 DDBDRO Cc1cc(N2CCC[C@@H]2C[N@@H+]2CCC[C@H]2CO)ncc1[N+](=O)[O-] ZINC000301591952 410749827 /nfs/dbraw/zinc/74/98/27/410749827.db2.gz YMBUURHMBHKJCR-KGLIPLIRSA-N 1 0 320.393 1.724 20 5 DDBDRO COC(=O)c1cnc(NC[C@@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC000302747396 410856871 /nfs/dbraw/zinc/85/68/71/410856871.db2.gz GAVZRNVOLWPSLG-JTQLQIEISA-N 1 0 308.338 1.530 20 5 DDBDRO COC(=O)c1cnc(NCC[N@H+]2CC=C(C)CC2)c([N+](=O)[O-])c1 ZINC000302781580 410862960 /nfs/dbraw/zinc/86/29/60/410862960.db2.gz SCLZXEFFWKZMKM-UHFFFAOYSA-N 1 0 320.349 1.840 20 5 DDBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CCCn1cc(CO)nn1 ZINC000353234053 410871671 /nfs/dbraw/zinc/87/16/71/410871671.db2.gz XNDYTAJCPCCGPH-UTCJRWHESA-N 1 0 317.349 1.372 20 5 DDBDRO COc1ccc(OCCN(C)[C@H](C[NH3+])C2CC2)c([N+](=O)[O-])c1 ZINC000359876345 410927611 /nfs/dbraw/zinc/92/76/11/410927611.db2.gz LHIUZTZSJVCCAD-CQSZACIVSA-N 1 0 309.366 1.651 20 5 DDBDRO Cc1cc(C(=O)NCCC[N@@H+](C)CCN(C)C)ccc1[N+](=O)[O-] ZINC000356500183 411058441 /nfs/dbraw/zinc/05/84/41/411058441.db2.gz DDOMHSZYDOIVHX-UHFFFAOYSA-N 1 0 322.409 1.517 20 5 DDBDRO O=[N+]([O-])c1cccc(C[NH2+]CCc2nnnn2-c2ccccc2)c1 ZINC000337828177 411024760 /nfs/dbraw/zinc/02/47/60/411024760.db2.gz UNQJLZVVVTZDJL-UHFFFAOYSA-N 1 0 324.344 1.903 20 5 DDBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H](O)C(F)F ZINC000341378142 411030301 /nfs/dbraw/zinc/03/03/01/411030301.db2.gz ZXQFLXCTMANMRG-KCJUWKMLSA-N 1 0 317.292 1.528 20 5 DDBDRO C[C@@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C[C@@H]1n1ccnc1 ZINC000129820290 196078154 /nfs/dbraw/zinc/07/81/54/196078154.db2.gz DBNCRLPUSOSBBL-OLZOCXBDSA-N 1 0 304.354 1.571 20 5 DDBDRO O=C(CN1CC[NH2+]C[C@H]1C(F)F)Nc1ccccc1[N+](=O)[O-] ZINC000580431964 422932007 /nfs/dbraw/zinc/93/20/07/422932007.db2.gz ALGQTGIUEJEDHY-NSHDSACASA-N 1 0 314.292 1.072 20 5 DDBDRO C[C@H]1C[C@H]1[N@@H+]1CCN(c2ncc([N+](=O)[O-])c(N)n2)C[C@@H](C)C1 ZINC000488756842 416562002 /nfs/dbraw/zinc/56/20/02/416562002.db2.gz WXUHWAPJSSCJHP-GARJFASQSA-N 1 0 306.370 1.134 20 5 DDBDRO COc1ccc(CNC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)cc1[N+](=O)[O-] ZINC000417180299 225233583 /nfs/dbraw/zinc/23/35/83/225233583.db2.gz GTNFEVXOAXYREA-YPMHNXCESA-N 1 0 320.349 1.107 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000417177516 225233702 /nfs/dbraw/zinc/23/37/02/225233702.db2.gz KSGTWEGJYCRBGT-CABZTGNLSA-N 1 0 308.338 1.235 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H](C)CCCC[NH3+] ZINC000417187456 225236431 /nfs/dbraw/zinc/23/64/31/225236431.db2.gz UWDDHFIQYHMIDD-NSHDSACASA-N 1 0 324.381 1.920 20 5 DDBDRO COc1ccc(CNC(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000417188876 225239136 /nfs/dbraw/zinc/23/91/36/225239136.db2.gz IBOFVYLOEGKVEE-PWSUYJOCSA-N 1 0 322.365 1.482 20 5 DDBDRO [NH3+]CC[C@H](NC(=O)NCCc1cccc([N+](=O)[O-])c1)C(F)F ZINC000417944737 225517246 /nfs/dbraw/zinc/51/72/46/225517246.db2.gz QAVRQNXOCZQNER-NSHDSACASA-N 1 0 316.308 1.419 20 5 DDBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cn3)CC[C@H]21 ZINC000366295035 418453278 /nfs/dbraw/zinc/45/32/78/418453278.db2.gz PTQVWUVAGRYZJA-BXUZGUMPSA-N 1 0 304.350 1.546 20 5 DDBDRO C[C@H]1C[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000360651166 418483854 /nfs/dbraw/zinc/48/38/54/418483854.db2.gz FWWZAXQQUKBHDW-WDEREUQCSA-N 1 0 313.379 1.356 20 5 DDBDRO O=C(NC1CC[NH+](CC2CC2)CC1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000194233563 418541586 /nfs/dbraw/zinc/54/15/86/418541586.db2.gz NTGCDFXXSHEWDO-UHFFFAOYSA-N 1 0 320.349 1.300 20 5 DDBDRO CO[C@@H]1CCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000374679135 418554208 /nfs/dbraw/zinc/55/42/08/418554208.db2.gz MOMVAUZIIUYITG-CYBMUJFWSA-N 1 0 307.350 1.695 20 5 DDBDRO CC(C)C[C@@H]1C(=O)NCCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000189819088 222057733 /nfs/dbraw/zinc/05/77/33/222057733.db2.gz KCWBDOMDKQIIEP-OAHLLOKOSA-N 1 0 305.378 1.984 20 5 DDBDRO Cc1cc(C(=O)N2CC[C@@H]3CC[N@@H+](C)[C@H]3C2)c(N)c([N+](=O)[O-])c1 ZINC000375037018 418593159 /nfs/dbraw/zinc/59/31/59/418593159.db2.gz HXURXPBZETUEKB-FZMZJTMJSA-N 1 0 318.377 1.652 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CCN(CCOc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000375036890 418593433 /nfs/dbraw/zinc/59/34/33/418593433.db2.gz IJGGVTLPBJRZJV-CJNGLKHVSA-N 1 0 305.378 2.000 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CCN(CCOc3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC000375028368 418590539 /nfs/dbraw/zinc/59/05/39/418590539.db2.gz CJZVNEMITLNGDK-CZUORRHYSA-N 1 0 305.378 2.000 20 5 DDBDRO Cc1cc(C(=O)N2CC[C@]3(CCC[C@@H]3[NH3+])C2)c(N)c([N+](=O)[O-])c1 ZINC000375459000 418641823 /nfs/dbraw/zinc/64/18/23/418641823.db2.gz RXCADTMYOXMLAJ-XJKSGUPXSA-N 1 0 318.377 1.829 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1CN1CC[C@](CO)(c2ccccc2)C1 ZINC000368259872 418711432 /nfs/dbraw/zinc/71/14/32/418711432.db2.gz GTDCVJGUNWEDSF-INIZCTEOSA-N 1 0 316.361 1.464 20 5 DDBDRO Cc1cc(S(=O)(=O)N[C@@H]2CCC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000375619122 418663290 /nfs/dbraw/zinc/66/32/90/418663290.db2.gz CRFUXCMNBFOGHD-LLVKDONJSA-N 1 0 313.379 1.324 20 5 DDBDRO NC(=O)C[C@@H]1CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000367984791 418668600 /nfs/dbraw/zinc/66/86/00/418668600.db2.gz YWLSZLINJMBRJP-LBPRGKRZSA-N 1 0 307.350 1.561 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000368006495 418672125 /nfs/dbraw/zinc/67/21/25/418672125.db2.gz MYNOYBMFEANBLR-OAHLLOKOSA-N 1 0 304.350 1.514 20 5 DDBDRO Cn1ccnc1[C@H](N[C@H]1CCC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000423196831 227397571 /nfs/dbraw/zinc/39/75/71/227397571.db2.gz WMJYGMKBVKOEIQ-DZGCQCFKSA-N 1 0 315.377 1.759 20 5 DDBDRO CCCc1n[nH]c(C(=O)N2[C@@H]3CC[C@H]2C[C@@H]([NH3+])C3)c1[N+](=O)[O-] ZINC000372497087 418877976 /nfs/dbraw/zinc/87/79/76/418877976.db2.gz OLBHUZGBJYGCOS-ILWJIGKKSA-N 1 0 307.354 1.365 20 5 DDBDRO CN(Cc1cn2c(n1)CCCC2)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000365305783 418850678 /nfs/dbraw/zinc/85/06/78/418850678.db2.gz BAYMZYNJJUJTQN-UHFFFAOYSA-N 1 0 304.310 1.123 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H](CC[NH3+])C(F)F ZINC000423669947 227604819 /nfs/dbraw/zinc/60/48/19/227604819.db2.gz AHIBXHJQHOUNID-SNVBAGLBSA-N 1 0 301.293 1.924 20 5 DDBDRO [NH3+][C@@H]1CN(C(=O)c2n[nH]cc2[N+](=O)[O-])C[C@H]1c1ccccc1F ZINC000424032155 228221557 /nfs/dbraw/zinc/22/15/57/228221557.db2.gz UXRQPYGWYKPGNL-GXSJLCMTSA-N 1 0 319.296 1.024 20 5 DDBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000417932383 419395871 /nfs/dbraw/zinc/39/58/71/419395871.db2.gz CZVGTCVJYSYVEE-KGLIPLIRSA-N 1 0 318.377 1.388 20 5 DDBDRO C[C@H]1CN(C(=O)NCCc2cccc([N+](=O)[O-])c2)[C@@H](C)C[NH2+]1 ZINC000417937370 419399655 /nfs/dbraw/zinc/39/96/55/419399655.db2.gz IMAAQKVEFFHHDT-RYUDHWBXSA-N 1 0 306.366 1.529 20 5 DDBDRO [NH3+]C[C@@H]1CC[C@H](NC(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000417949509 419409910 /nfs/dbraw/zinc/40/99/10/419409910.db2.gz VAMDBSARDYWSHA-OLZOCXBDSA-N 1 0 306.366 1.564 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@H](C3CCCC3)C2)c1 ZINC000420966306 419387499 /nfs/dbraw/zinc/38/74/99/419387499.db2.gz VBLOFDOAZGSXIY-DZGCQCFKSA-N 1 0 308.382 1.664 20 5 DDBDRO CC(C)(C[NH3+])NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000418083607 419521763 /nfs/dbraw/zinc/52/17/63/419521763.db2.gz MJFGSQXCPRMUHS-UHFFFAOYSA-N 1 0 306.326 1.008 20 5 DDBDRO Cc1c(CNC(=O)N[C@H]2CC[NH2+][C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000418086209 419521801 /nfs/dbraw/zinc/52/18/01/419521801.db2.gz ZHQUEQIELGGMNK-GWCFXTLKSA-N 1 0 306.366 1.843 20 5 DDBDRO C[C@@H]1[C@@H](CO)CCC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000412079782 419632948 /nfs/dbraw/zinc/63/29/48/419632948.db2.gz NATDXKPYNVKAED-UMVBOHGHSA-N 1 0 324.377 1.427 20 5 DDBDRO Cc1c(NC(=O)CC[N@@H+]2C[C@H](C)C[C@H](O)C2)cccc1[N+](=O)[O-] ZINC000412038678 419583493 /nfs/dbraw/zinc/58/34/93/419583493.db2.gz PCPCWBCBKNHKGC-YPMHNXCESA-N 1 0 321.377 1.935 20 5 DDBDRO NC(=O)CC1(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000421892632 419757068 /nfs/dbraw/zinc/75/70/68/419757068.db2.gz WOQILEUKEGNWJL-VXGBXAGGSA-N 1 0 321.381 1.520 20 5 DDBDRO CC[C@@H]1CN(CCNC(=O)c2cccc([N+](=O)[O-])c2N)CCO1 ZINC000428070538 419804504 /nfs/dbraw/zinc/80/45/04/419804504.db2.gz BLHVMTQFNNJXCM-LLVKDONJSA-N 1 0 322.365 1.018 20 5 DDBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC1([NH3+])CCC1 ZINC000414884003 419859045 /nfs/dbraw/zinc/85/90/45/419859045.db2.gz VKCCEXGZRCBIPG-NSHDSACASA-N 1 0 306.366 1.783 20 5 DDBDRO C[C@H](C[NH3+])NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000418518842 419852676 /nfs/dbraw/zinc/85/26/76/419852676.db2.gz YWEUWMOSIQFAOQ-LLVKDONJSA-N 1 0 322.365 1.495 20 5 DDBDRO CC(C)c1ccc(CNC[C@H]2C[NH2+]CCN2C)cc1[N+](=O)[O-] ZINC000414961083 419896764 /nfs/dbraw/zinc/89/67/64/419896764.db2.gz IHJBWWSXLYMDSE-CQSZACIVSA-N 1 0 306.410 1.711 20 5 DDBDRO Cc1cc(OCC(=O)N2CC[N@@H+](C)[C@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000432249304 229090135 /nfs/dbraw/zinc/09/01/35/229090135.db2.gz CUTUUKFJVVFKQQ-CHWSQXEVSA-N 1 0 321.377 1.833 20 5 DDBDRO CC[C@H]([NH3+])CNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000414976594 419901711 /nfs/dbraw/zinc/90/17/11/419901711.db2.gz IHWSBXLZWGOZNW-ZDUSSCGKSA-N 1 0 303.366 1.822 20 5 DDBDRO COCCNCC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000423326011 420014044 /nfs/dbraw/zinc/01/40/44/420014044.db2.gz IWSCJUDQULLFTD-STQMWFEESA-N 1 0 311.386 1.101 20 5 DDBDRO C[C@@H](N[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)[C@H](C)[NH3+] ZINC000423457883 420055393 /nfs/dbraw/zinc/05/53/93/420055393.db2.gz GHIXHQJDIRQJIG-MISXGVKJSA-N 1 0 303.366 1.743 20 5 DDBDRO COc1ccc(NC(=O)N(C)[C@@H](C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000415438638 420066256 /nfs/dbraw/zinc/06/62/56/420066256.db2.gz MERWZNXSHBVZKG-LBPRGKRZSA-N 1 0 308.338 1.804 20 5 DDBDRO COc1ccc(NC(=O)NC[C@H]2C[NH2+]CCCO2)cc1[N+](=O)[O-] ZINC000415440293 420066367 /nfs/dbraw/zinc/06/63/67/420066367.db2.gz NYGZOCAWUVXBBJ-LLVKDONJSA-N 1 0 324.337 1.103 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@](C)(O)CC[NH+](C)C)c1 ZINC000420020450 420095109 /nfs/dbraw/zinc/09/51/09/420095109.db2.gz SILNDZKUPIFTHB-HNNXBMFYSA-N 1 0 309.366 1.336 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCO[C@H](C[NH3+])C1 ZINC000415573001 420114450 /nfs/dbraw/zinc/11/44/50/420114450.db2.gz BUNXSUPQULROAI-LLVKDONJSA-N 1 0 308.338 1.403 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000415617830 420126851 /nfs/dbraw/zinc/12/68/51/420126851.db2.gz CPHGXXXBKCTJHV-LLVKDONJSA-N 1 0 320.349 1.100 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N(CC[NH3+])Cc2ccccc2)n1 ZINC000423567152 420084064 /nfs/dbraw/zinc/08/40/64/420084064.db2.gz UWIAMSRHIBQEAF-UHFFFAOYSA-N 1 0 317.349 1.412 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000415489705 420086557 /nfs/dbraw/zinc/08/65/57/420086557.db2.gz XIMMXEZDRCKUPR-GFCCVEGCSA-N 1 0 322.365 1.712 20 5 DDBDRO CCCC[C@H](C[NH3+])NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000415489832 420087214 /nfs/dbraw/zinc/08/72/14/420087214.db2.gz BPKFRSKMPRRETK-LLVKDONJSA-N 1 0 322.365 1.475 20 5 DDBDRO COc1cc(C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)cc([N+](=O)[O-])c1C ZINC000423588575 420090214 /nfs/dbraw/zinc/09/02/14/420090214.db2.gz GHXJXSKAPPVHNR-JOYOIKCWSA-N 1 0 307.350 1.640 20 5 DDBDRO C[NH2+]C[C@@H]1CCN(CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000430918888 420203720 /nfs/dbraw/zinc/20/37/20/420203720.db2.gz OKJFGRKBIFXUHA-LBPRGKRZSA-N 1 0 309.366 1.524 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000430943485 420217124 /nfs/dbraw/zinc/21/71/24/420217124.db2.gz PERMEKFCFZAOPQ-NWDGAFQWSA-N 1 0 306.366 1.511 20 5 DDBDRO O=C(CCN(C1CC1)[C@@H]1CC[NH2+]C1)Nc1ccccc1[N+](=O)[O-] ZINC000420325399 420210507 /nfs/dbraw/zinc/21/05/07/420210507.db2.gz WBBKTDNYOTVGIH-CYBMUJFWSA-N 1 0 318.377 1.750 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@](C)(C[NH3+])C(C)C ZINC000430574694 420144286 /nfs/dbraw/zinc/14/42/86/420144286.db2.gz JEJJCOSEFMCUJN-HNNXBMFYSA-N 1 0 324.381 1.505 20 5 DDBDRO C[NH2+]C[C@H]1CCCN1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000430576357 420144337 /nfs/dbraw/zinc/14/43/37/420144337.db2.gz BJJNIBWHASYDHO-GFCCVEGCSA-N 1 0 309.366 1.666 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@](C)(C[NH3+])C1CC1 ZINC000430584931 420149365 /nfs/dbraw/zinc/14/93/65/420149365.db2.gz QIQBKOHAPUXGOK-OAHLLOKOSA-N 1 0 322.365 1.259 20 5 DDBDRO O=C(CCN1CC[C@@H]2C[NH2+]C[C@@H]21)Nc1ccc([N+](=O)[O-])cc1 ZINC000420341983 420222013 /nfs/dbraw/zinc/22/20/13/420222013.db2.gz PDCNVYMRJNIXRJ-RISCZKNCSA-N 1 0 304.350 1.217 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000430958976 420224102 /nfs/dbraw/zinc/22/41/02/420224102.db2.gz VFFOBHJZKQVZPO-WCQYABFASA-N 1 0 306.366 1.511 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@@H](C)[NH2+]C[C@H]1C ZINC000420413117 420270581 /nfs/dbraw/zinc/27/05/81/420270581.db2.gz ZRWRMNXJFBLBKN-VXGBXAGGSA-N 1 0 306.366 1.524 20 5 DDBDRO COc1ccc(NC(=O)CCN2CC[NH2+][C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000420338592 420220545 /nfs/dbraw/zinc/22/05/45/420220545.db2.gz PNBGSQXUADNVAF-NSHDSACASA-N 1 0 322.365 1.226 20 5 DDBDRO C[NH2+]CCCN(C)S(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000420472113 420306800 /nfs/dbraw/zinc/30/68/00/420306800.db2.gz RKSZVXDGERBFMS-UHFFFAOYSA-N 1 0 315.395 1.442 20 5 DDBDRO CC1(C)COCCN1CCNc1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420584310 420322819 /nfs/dbraw/zinc/32/28/19/420322819.db2.gz MNBAUZFAVGYCKY-UHFFFAOYSA-N 1 0 322.365 1.216 20 5 DDBDRO C[C@@H]1CCC[N@H+](CCNc2c(C(N)=O)cccc2[N+](=O)[O-])C1 ZINC000420585838 420324076 /nfs/dbraw/zinc/32/40/76/420324076.db2.gz NFSGGRGPYRQTGY-LLVKDONJSA-N 1 0 306.366 1.838 20 5 DDBDRO COCC(C)(C)[NH+]1CCN(c2ncc([N+](=O)[O-])c(C)n2)CC1 ZINC000425273681 420335845 /nfs/dbraw/zinc/33/58/45/420335845.db2.gz BXCULUHVJJOGNR-UHFFFAOYSA-N 1 0 309.370 1.240 20 5 DDBDRO Cc1ccc(S(=O)(=O)N2C[C@@H](C[NH3+])C[C@H]2C)c([N+](=O)[O-])c1 ZINC000447252171 230350281 /nfs/dbraw/zinc/35/02/81/230350281.db2.gz ZYWHTZATHYFXPK-GHMZBOCLSA-N 1 0 313.379 1.261 20 5 DDBDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000439696543 420531322 /nfs/dbraw/zinc/53/13/22/420531322.db2.gz NMXWLNXCBOGLMJ-CYBMUJFWSA-N 1 0 323.397 1.418 20 5 DDBDRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000417768689 420474060 /nfs/dbraw/zinc/47/40/60/420474060.db2.gz RUQBPYYYRWKEEN-AAEUAGOBSA-N 1 0 306.366 1.435 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000451635537 420606625 /nfs/dbraw/zinc/60/66/25/420606625.db2.gz RHUYMEFGDNFENO-WQAKAFBOSA-N 1 0 303.318 1.169 20 5 DDBDRO C[C@@H](CNC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1[N+](=O)[O-] ZINC001120577985 782034040 /nfs/dbraw/zinc/03/40/40/782034040.db2.gz QOIFNBLKYKSOIZ-RWMBFGLXSA-N 1 0 318.377 1.559 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)C[C@@H]21 ZINC000453040661 420706579 /nfs/dbraw/zinc/70/65/79/420706579.db2.gz UEDSLJPEGFNDMB-RNCFNFMXSA-N 1 0 315.333 1.247 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2C[C@@H](C3CC3)[C@H]2C2CC2)c1 ZINC000453046876 420708189 /nfs/dbraw/zinc/70/81/89/420708189.db2.gz YRHOZWOCLGIWTF-QLFBSQMISA-N 1 0 306.366 1.273 20 5 DDBDRO C[NH+](C)C1(CNC(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000493644471 420905703 /nfs/dbraw/zinc/90/57/03/420905703.db2.gz GCNFHQQPHVIPML-GQCTYLIASA-N 1 0 307.325 1.958 20 5 DDBDRO CNc1nc(C(=O)N[C@H](C)C[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000454694569 420909815 /nfs/dbraw/zinc/90/98/15/420909815.db2.gz VCDYXCBQRYYANK-LLVKDONJSA-N 1 0 321.381 1.636 20 5 DDBDRO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000493498409 420866492 /nfs/dbraw/zinc/86/64/92/420866492.db2.gz QHAYMRZDPYGEOZ-XDFYEUQUSA-N 1 0 307.325 1.956 20 5 DDBDRO C[C@@H](C[N@H+](C)CCn1ccc([N+](=O)[O-])n1)C(=O)OC(C)(C)C ZINC000459810182 420879666 /nfs/dbraw/zinc/87/96/66/420879666.db2.gz PZORAKJDBIUKFV-NSHDSACASA-N 1 0 312.370 1.701 20 5 DDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000449144256 420959792 /nfs/dbraw/zinc/95/97/92/420959792.db2.gz SIHSNVMMRZBYEH-LLVKDONJSA-N 1 0 316.321 1.191 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1COC[C@H]1n1ccnn1 ZINC000449312047 420986900 /nfs/dbraw/zinc/98/69/00/420986900.db2.gz PANSCORBYOBMLR-OSAQELSMSA-N 1 0 317.349 1.347 20 5 DDBDRO CNc1nc(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000455778694 421060835 /nfs/dbraw/zinc/06/08/35/421060835.db2.gz HQBBBKNWQQNSOW-JTQLQIEISA-N 1 0 323.397 1.738 20 5 DDBDRO [NH3+]CC[C@H](NC(=O)CCNc1ccccc1[N+](=O)[O-])C(F)F ZINC000449609404 421037641 /nfs/dbraw/zinc/03/76/41/421037641.db2.gz BJRJTGJNHHQFAU-JTQLQIEISA-N 1 0 316.308 1.496 20 5 DDBDRO C[C@H]1CN(c2ncnc3cccc([N+](=O)[O-])c32)CC[N@@H+]1CCO ZINC000490064923 421187890 /nfs/dbraw/zinc/18/78/90/421187890.db2.gz VHUPFYGVTHPDDS-NSHDSACASA-N 1 0 317.349 1.041 20 5 DDBDRO COc1c(C(=O)NCC[N@@H+]2CC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000527248557 421371499 /nfs/dbraw/zinc/37/14/99/421371499.db2.gz GPNDXDPCZCXVDW-NSHDSACASA-N 1 0 307.350 1.675 20 5 DDBDRO Cn1nc([N+](=O)[O-])cc1C(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000548491785 421444583 /nfs/dbraw/zinc/44/45/83/421444583.db2.gz LYWICEBXIJZXOA-UHFFFAOYSA-N 1 0 309.370 1.275 20 5 DDBDRO CNc1ccc(C(=O)N[C@H]2CCCC[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000516768247 421566555 /nfs/dbraw/zinc/56/65/55/421566555.db2.gz OQJDRJSTNKAIQU-RYUDHWBXSA-N 1 0 306.366 1.884 20 5 DDBDRO COCC[N@@H+]1CC[C@@H](NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000516225691 421534255 /nfs/dbraw/zinc/53/42/55/421534255.db2.gz ATCQPMDXXIVKGQ-TZMCWYRMSA-N 1 0 321.377 1.535 20 5 DDBDRO [NH3+][C@@H]1CCCC[C@@H]1CC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000517560476 421618687 /nfs/dbraw/zinc/61/86/87/421618687.db2.gz IIDQUFDCSXIQFP-IUODEOHRSA-N 1 0 321.377 1.997 20 5 DDBDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000554868331 421664151 /nfs/dbraw/zinc/66/41/51/421664151.db2.gz FBHGZEISKJLLHI-NSHDSACASA-N 1 0 309.370 1.702 20 5 DDBDRO O=c1[nH]c(N2CC[C@H]3CC[C@@H](C2)[NH2+]3)nc2ccc([N+](=O)[O-])cc21 ZINC000519122019 421680256 /nfs/dbraw/zinc/68/02/56/421680256.db2.gz BHISSNWKNACROB-ZJUUUORDSA-N 1 0 315.333 1.574 20 5 DDBDRO NC(=O)c1cccc(NC[C@@H]2CC[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000557520147 421774034 /nfs/dbraw/zinc/77/40/34/421774034.db2.gz WBQWURCPHWKIKJ-JTQLQIEISA-N 1 0 304.350 1.590 20 5 DDBDRO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@@H]3CCCC[C@@H]3O)CC2)n1 ZINC000573004353 421896371 /nfs/dbraw/zinc/89/63/71/421896371.db2.gz YHKBDFUOMCTISR-JSGCOSHPSA-N 1 0 308.382 1.979 20 5 DDBDRO C[C@H]1CN(c2ccc3ncc([N+](=O)[O-])n3n2)CC[N@@H+](C2CC2)C1 ZINC000575873021 422340536 /nfs/dbraw/zinc/34/05/36/422340536.db2.gz PJNPGKWQCVAWOG-LLVKDONJSA-N 1 0 316.365 1.558 20 5 DDBDRO O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000593905968 422342759 /nfs/dbraw/zinc/34/27/59/422342759.db2.gz FBWZEHBANPJNON-AAEUAGOBSA-N 1 0 315.333 1.940 20 5 DDBDRO COC(=O)c1cc(C)nc(NC[C@H]2CCCC[NH2+]2)c1[N+](=O)[O-] ZINC000591430140 422326235 /nfs/dbraw/zinc/32/62/35/422326235.db2.gz YQARZYPQTNMGSX-SNVBAGLBSA-N 1 0 308.338 1.639 20 5 DDBDRO Cc1c(CN2CCN(c3ncc[nH]3)CC2)cccc1[N+](=O)[O-] ZINC000578713992 422629317 /nfs/dbraw/zinc/62/93/17/422629317.db2.gz VDIOUHSDWYLTRB-UHFFFAOYSA-N 1 0 301.350 1.949 20 5 DDBDRO CCc1ccc(S(=O)(=O)N(C)CCC[NH3+])cc1[N+](=O)[O-] ZINC000579121847 422711275 /nfs/dbraw/zinc/71/12/75/422711275.db2.gz OMVIPGQLEPLXKM-UHFFFAOYSA-N 1 0 301.368 1.127 20 5 DDBDRO CCCC[NH+]1CCC(NC(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000195321335 263539464 /nfs/dbraw/zinc/53/94/64/263539464.db2.gz XVKANQXYRUTBCD-UHFFFAOYSA-N 1 0 309.370 1.172 20 5 DDBDRO CCOc1ccc(NC(=O)CNCC2([NH3+])CCC2)c([N+](=O)[O-])c1 ZINC000342117721 271302625 /nfs/dbraw/zinc/30/26/25/271302625.db2.gz ZILCRPQMKZNNEU-UHFFFAOYSA-N 1 0 322.365 1.403 20 5 DDBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCCS(=O)(=O)C2)c(F)c1 ZINC000342195865 271337000 /nfs/dbraw/zinc/33/70/00/271337000.db2.gz GPIKEZJUVNDZNC-JTQLQIEISA-N 1 0 316.354 1.648 20 5 DDBDRO COc1ccc(C[NH2+]C[C@@H](CO)c2cccnc2)cc1[N+](=O)[O-] ZINC000342313446 271373200 /nfs/dbraw/zinc/37/32/00/271373200.db2.gz XGZZMHQUNMFDSZ-AWEZNQCLSA-N 1 0 317.345 1.864 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)N[C@@H]2CCC[N@H+](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000345307573 272214540 /nfs/dbraw/zinc/21/45/40/272214540.db2.gz WZBOILMMRLHXGD-NXEZZACHSA-N 1 0 309.370 1.654 20 5 DDBDRO [NH3+][C@H](CC(F)F)C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000345751006 272323875 /nfs/dbraw/zinc/32/38/75/272323875.db2.gz BYWMDMQENBEKSX-MRVPVSSYSA-N 1 0 302.281 1.105 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCCNc1cc[nH+]cc1 ZINC000345763248 272328762 /nfs/dbraw/zinc/32/87/62/272328762.db2.gz NICLLFVBZDCEQQ-UHFFFAOYSA-N 1 0 315.333 1.954 20 5 DDBDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2cc([N+](=O)[O-])cnc2C)C[C@@H]1C ZINC000345924847 272367060 /nfs/dbraw/zinc/36/70/60/272367060.db2.gz SAIMDUFOGUAZRS-QWRGUYRKSA-N 1 0 306.366 1.853 20 5 DDBDRO COc1ccc(C(=O)N(C)[C@H]2C[NH+]3CCC2CC3)cc1[N+](=O)[O-] ZINC000347948528 272789758 /nfs/dbraw/zinc/78/97/58/272789758.db2.gz MWFBBZLXJKKRGY-AWEZNQCLSA-N 1 0 319.361 1.770 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CCC([NH2+]C(C)C)CC2)n1 ZINC000281097973 274003853 /nfs/dbraw/zinc/00/38/53/274003853.db2.gz DXHFNXTWSLPKDO-UHFFFAOYSA-N 1 0 322.365 1.743 20 5 DDBDRO CC[NH+]1CCN([C@@H]2CCN(c3ncc([N+](=O)[O-])cc3C)C2)CC1 ZINC000264454066 276199232 /nfs/dbraw/zinc/19/92/32/276199232.db2.gz IVJRKKRCAQMWEK-CQSZACIVSA-N 1 0 319.409 1.514 20 5 DDBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000269361859 276379471 /nfs/dbraw/zinc/37/94/71/276379471.db2.gz JSOQEFDHECGJFL-JTQLQIEISA-N 1 0 309.370 1.655 20 5 DDBDRO C[N@@H+]1CC[C@H]2OCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)[C@H]2C1 ZINC000296854740 277180770 /nfs/dbraw/zinc/18/07/70/277180770.db2.gz UMCMRHATTRNQIO-UONOGXRCSA-N 1 0 317.349 1.380 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)c1[N+](=O)[O-] ZINC000294023919 278001103 /nfs/dbraw/zinc/00/11/03/278001103.db2.gz ZHOYELSPTFWFJZ-HNNXBMFYSA-N 1 0 321.381 1.609 20 5 DDBDRO COc1cccc(N2CC[NH+](C[C@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000185529786 278015976 /nfs/dbraw/zinc/01/59/76/278015976.db2.gz KUMLASYUORDQGJ-CYBMUJFWSA-N 1 0 321.377 1.762 20 5 DDBDRO C[C@H]([NH3+])[C@H]1CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000261778994 278231718 /nfs/dbraw/zinc/23/17/18/278231718.db2.gz WSBAVBLLEQVHFI-IUCAKERBSA-N 1 0 317.342 1.092 20 5 DDBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3ccc(CO)o3)C2)nc1 ZINC000093534483 281042868 /nfs/dbraw/zinc/04/28/68/281042868.db2.gz NAVCLDYHJCGNIY-LLVKDONJSA-N 1 0 318.333 1.762 20 5 DDBDRO Cn1nc([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000356464246 298798518 /nfs/dbraw/zinc/79/85/18/298798518.db2.gz JENZPTJLFPXAGJ-GFCCVEGCSA-N 1 0 321.381 1.419 20 5 DDBDRO C[C@H]1C[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1CO ZINC000362100562 300005392 /nfs/dbraw/zinc/00/53/92/300005392.db2.gz XSZMJBSKTGDBPE-JQWIXIFHSA-N 1 0 318.333 1.705 20 5 DDBDRO COCCC[N@@H+]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000362886662 300170689 /nfs/dbraw/zinc/17/06/89/300170689.db2.gz XQDAKOFMJQFGHL-UHFFFAOYSA-N 1 0 321.377 1.779 20 5 DDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000363295551 300246479 /nfs/dbraw/zinc/24/64/79/300246479.db2.gz HVUGFFZWCLUJPT-HUUCEWRRSA-N 1 0 309.410 1.766 20 5 DDBDRO Cc1cc(C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c(N)c([N+](=O)[O-])c1 ZINC000363652340 300292837 /nfs/dbraw/zinc/29/28/37/300292837.db2.gz PMAYGRUVQDFYJA-CYZMBNFOSA-N 1 0 318.377 1.685 20 5 DDBDRO CO[C@H]1CCC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000363651024 300293056 /nfs/dbraw/zinc/29/30/56/300293056.db2.gz JNNXLBTWHYODGB-KGLIPLIRSA-N 1 0 324.377 1.835 20 5 DDBDRO O=[N+]([O-])c1cc(CN2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cs1 ZINC000363707830 300299853 /nfs/dbraw/zinc/29/98/53/300299853.db2.gz BAKPSZYKDNBLRN-CHWSQXEVSA-N 1 0 311.407 1.687 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000366556049 300716255 /nfs/dbraw/zinc/71/62/55/300716255.db2.gz OCSRTSTXCPVNRW-ZWNOBZJWSA-N 1 0 305.334 1.427 20 5 DDBDRO Cc1nn(C)c(N2CCCC3(CC[NH+](C)CC3)C2)c1[N+](=O)[O-] ZINC000366839707 300756895 /nfs/dbraw/zinc/75/68/95/300756895.db2.gz XGPQERMQDVXZDS-UHFFFAOYSA-N 1 0 307.398 1.949 20 5 DDBDRO C[C@]1(C[NH3+])CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000261965345 300794802 /nfs/dbraw/zinc/79/48/02/300794802.db2.gz LGCAAEVVAFNRQB-OAHLLOKOSA-N 1 0 321.333 1.177 20 5 DDBDRO C[NH+]1CCC2(CCCN2C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000367359059 300835441 /nfs/dbraw/zinc/83/54/41/300835441.db2.gz SHPYRASRWLYYMH-UHFFFAOYSA-N 1 0 318.377 1.877 20 5 DDBDRO O=C(CN1CC[C@@](O)(C2CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000368475526 301036303 /nfs/dbraw/zinc/03/63/03/301036303.db2.gz TZCFCMGTRVHHPH-HNNXBMFYSA-N 1 0 305.334 1.380 20 5 DDBDRO C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)[C@@H]1C[C@@H]1[N+](=O)[O-] ZINC000369998239 301255048 /nfs/dbraw/zinc/25/50/48/301255048.db2.gz QRCPFOHZFWNPPX-BMFZPTHFSA-N 1 0 317.389 1.775 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCCC12CC[NH+](C)CC2 ZINC000374323880 301793209 /nfs/dbraw/zinc/79/32/09/301793209.db2.gz KDENDHXAKNNSIF-UHFFFAOYSA-N 1 0 321.381 1.187 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1 ZINC000374647253 301831163 /nfs/dbraw/zinc/83/11/63/301831163.db2.gz TUKUTNPNBPZKCB-BPNCWPANSA-N 1 0 319.361 1.803 20 5 DDBDRO Nc1c(C(=O)Nc2cnc3c(c2)C[NH2+]CC3)cccc1[N+](=O)[O-] ZINC000377179089 302152416 /nfs/dbraw/zinc/15/24/16/302152416.db2.gz PDNUECGIOJFNMV-UHFFFAOYSA-N 1 0 313.317 1.470 20 5 DDBDRO O=C1NC[C@H]2C[N@H+](CCOc3cccc([N+](=O)[O-])c3)CC[C@H]12 ZINC000377673040 302209185 /nfs/dbraw/zinc/20/91/85/302209185.db2.gz RLMNOGOHGSYJAW-FZMZJTMJSA-N 1 0 305.334 1.042 20 5 DDBDRO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cn1)[N@@H+]1CCC[C@H](C)C1 ZINC000532134265 303276258 /nfs/dbraw/zinc/27/62/58/303276258.db2.gz VLVVJCLGMXDMNM-NWDGAFQWSA-N 1 0 306.366 1.840 20 5 DDBDRO C[C@@H]([NH3+])C[C@H](C)NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000563127202 303924027 /nfs/dbraw/zinc/92/40/27/303924027.db2.gz WKVHUGRZGZTWME-ZJUUUORDSA-N 1 0 301.368 1.140 20 5 DDBDRO C[C@H]1C[C@H](C(=O)NCCNc2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000358674460 306947352 /nfs/dbraw/zinc/94/73/52/306947352.db2.gz AKXHOMNDQODHKV-NWDGAFQWSA-N 1 0 306.366 1.511 20 5 DDBDRO Cc1cccc(N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c1[N+](=O)[O-] ZINC000364638885 307049028 /nfs/dbraw/zinc/04/90/28/307049028.db2.gz SKPUUWVPDNAHEV-HIFRSBDPSA-N 1 0 305.378 1.939 20 5 DDBDRO CSC[C@H](O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365126878 307059719 /nfs/dbraw/zinc/05/97/19/307059719.db2.gz UFGHHWLKTQEUQS-LLVKDONJSA-N 1 0 300.384 1.152 20 5 DDBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000365357347 307065947 /nfs/dbraw/zinc/06/59/47/307065947.db2.gz NATMPWLLBDMTLC-DZGCQCFKSA-N 1 0 303.362 1.738 20 5 DDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]2C[NH2+]CCC[C@H]21 ZINC000367654446 307100328 /nfs/dbraw/zinc/10/03/28/307100328.db2.gz WOTQXLMBWBEPCB-IAQYHMDHSA-N 1 0 318.377 1.781 20 5 DDBDRO CCc1nn(C)c(N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000367750216 307103649 /nfs/dbraw/zinc/10/36/49/307103649.db2.gz ZWOQKBYIZDPVRL-NWDGAFQWSA-N 1 0 307.398 1.954 20 5 DDBDRO Cn1cc(N2CC[C@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)C2)cn1 ZINC000370906742 307139546 /nfs/dbraw/zinc/13/95/46/307139546.db2.gz XPNXUZYXXXOOGS-ZDUSSCGKSA-N 1 0 301.350 1.697 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000371019378 307141205 /nfs/dbraw/zinc/14/12/05/307141205.db2.gz RMDYSJIXTSQSGW-STQMWFEESA-N 1 0 321.381 1.090 20 5 DDBDRO O=C(/C=C/c1ccccc1[N+](=O)[O-])NC[C@@H]1C[NH2+]CCCO1 ZINC000390113444 307293484 /nfs/dbraw/zinc/29/34/84/307293484.db2.gz CNBDTCCHQAEMEO-YBJDMEARSA-N 1 0 305.334 1.103 20 5 DDBDRO O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC000404028022 307297528 /nfs/dbraw/zinc/29/75/28/307297528.db2.gz VWPZBNBDWDOQGL-RFMXEPQUSA-N 1 0 317.345 1.197 20 5 DDBDRO C[C@@H]1CC[C@H](O)C[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000421021016 307300514 /nfs/dbraw/zinc/30/05/14/307300514.db2.gz NVWXYBAYCGTULF-NEPJUHHUSA-N 1 0 307.350 1.769 20 5 DDBDRO CC(C)c1ccc(C(=O)N2CCCO[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000424018267 307301130 /nfs/dbraw/zinc/30/11/30/307301130.db2.gz ICEOQSJFELAKJT-ZDUSSCGKSA-N 1 0 321.377 1.908 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H]2CCCC(F)(F)C2)c1 ZINC000514825351 307402874 /nfs/dbraw/zinc/40/28/74/307402874.db2.gz RMTUYRVZXCLSQS-ONGXEEELSA-N 1 0 304.297 1.320 20 5 DDBDRO C[C@H](CCNC(=O)c1ccc([N+](=O)[O-])cn1)[NH+]1CCCCC1 ZINC000542455169 307699427 /nfs/dbraw/zinc/69/94/27/307699427.db2.gz RXUDXKIEZWRPSO-GFCCVEGCSA-N 1 0 306.366 1.984 20 5 DDBDRO COc1ccc(CC(=O)NC2(C)CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000567103839 308071227 /nfs/dbraw/zinc/07/12/27/308071227.db2.gz RZKNIOBHGDBTBF-UHFFFAOYSA-N 1 0 307.350 1.404 20 5 DDBDRO O=C(COc1cccc([N+](=O)[O-])c1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000567344881 308078262 /nfs/dbraw/zinc/07/82/62/308078262.db2.gz IRSRIPLMGWDNRJ-MRXNPFEDSA-N 1 0 319.361 1.576 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CCc3cn[nH]c3)CC2)cn1 ZINC000572365745 308219075 /nfs/dbraw/zinc/21/90/75/308219075.db2.gz QTPIIYVSDZUILI-UHFFFAOYSA-N 1 0 302.338 1.078 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@@H]1CCCC[C@H]1O ZINC000573324169 308237774 /nfs/dbraw/zinc/23/77/74/308237774.db2.gz IURBWZAAUWBRGI-OUCADQQQSA-N 1 0 310.350 1.228 20 5 DDBDRO O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000575765048 308278964 /nfs/dbraw/zinc/27/89/64/308278964.db2.gz WYUWCKFFUXQSFX-VHSXEESVSA-N 1 0 319.317 1.005 20 5 DDBDRO Cc1csc(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)n1 ZINC000576862759 308345073 /nfs/dbraw/zinc/34/50/73/308345073.db2.gz BWJFLNXLJXVPBQ-LBPRGKRZSA-N 1 0 323.374 1.889 20 5 DDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000577162366 308366829 /nfs/dbraw/zinc/36/68/29/308366829.db2.gz FPMFGXYKTLHLJP-ZDUSSCGKSA-N 1 0 321.381 1.264 20 5 DDBDRO C[C@@H]1CN(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)[C@@H](C)C[NH2+]1 ZINC000577354985 308381036 /nfs/dbraw/zinc/38/10/36/308381036.db2.gz XFGBMCRAKXVYLJ-NEPJUHHUSA-N 1 0 322.365 1.365 20 5 DDBDRO CC(C)c1ccc(CN2CCN(C)C[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000577513731 308394932 /nfs/dbraw/zinc/39/49/32/308394932.db2.gz WMPPATAOUVGNRH-CQSZACIVSA-N 1 0 306.410 1.793 20 5 DDBDRO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCC[N@H+](CC2CCC2)CC1 ZINC000577527459 308396209 /nfs/dbraw/zinc/39/62/09/308396209.db2.gz BQNZZJUMCFAWLB-UHFFFAOYSA-N 1 0 306.366 1.871 20 5 DDBDRO CC[NH2+][C@H](C)CNS(=O)(=O)c1ccc(CC)c([N+](=O)[O-])c1 ZINC000579952892 308569170 /nfs/dbraw/zinc/56/91/70/308569170.db2.gz TYMCQNPHKNRGPV-SNVBAGLBSA-N 1 0 315.395 1.434 20 5 DDBDRO O=C(NCCNc1ccc([N+](=O)[O-])cc1)[C@H]1CCCCC[NH2+]1 ZINC000584232780 331873459 /nfs/dbraw/zinc/87/34/59/331873459.db2.gz WXKOAMDGIOKMPE-CQSZACIVSA-N 1 0 306.366 1.655 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC[C@H](c3cccnc3)C2)c1 ZINC000582724550 337125551 /nfs/dbraw/zinc/12/55/51/337125551.db2.gz ZVZXYFQCZZVFDK-ZFWWWQNUSA-N 1 0 317.349 1.037 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@H]2CCC(F)(F)C2)c1 ZINC000584465692 337346790 /nfs/dbraw/zinc/34/67/90/337346790.db2.gz WVLQGTZEZLBKKD-ONGXEEELSA-N 1 0 304.297 1.177 20 5 DDBDRO CSC[C@H](C)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000583867009 337361040 /nfs/dbraw/zinc/36/10/40/337361040.db2.gz PCTUNPILACGAPF-JQWIXIFHSA-N 1 0 300.380 1.676 20 5 DDBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@H](c3nnc[nH]3)C2)cc1 ZINC000374528170 483938793 /nfs/dbraw/zinc/93/87/93/483938793.db2.gz ATYTZKUHILKRFL-LBPRGKRZSA-N 1 0 317.349 1.971 20 5 DDBDRO C[NH2+]C[C@H](C)NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000662959994 484564800 /nfs/dbraw/zinc/56/48/00/484564800.db2.gz KSUAEUIDFVDAFP-ZDUSSCGKSA-N 1 0 323.396 1.879 20 5 DDBDRO COC(=O)c1cc(C(=O)NC(C)(C)C[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000457225558 533731745 /nfs/dbraw/zinc/73/17/45/533731745.db2.gz SKMIPJXSKMLBEG-UHFFFAOYSA-N 1 0 323.349 1.451 20 5 DDBDRO COC(=O)c1cc(C(=O)NC[C@H]([NH3+])C(C)C)cc([N+](=O)[O-])c1 ZINC000422850801 533735680 /nfs/dbraw/zinc/73/56/80/533735680.db2.gz OBUUOCWLGAXVBP-LBPRGKRZSA-N 1 0 309.322 1.095 20 5 DDBDRO Cc1c(CNC(=O)NCCC[NH2+]C2CC2)cccc1[N+](=O)[O-] ZINC000418084299 533857950 /nfs/dbraw/zinc/85/79/50/533857950.db2.gz UZOGGKZIKTUAHO-UHFFFAOYSA-N 1 0 306.366 1.845 20 5 DDBDRO Cc1cc(NC[C@@H]2CCCC(=O)N2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000432935491 534034077 /nfs/dbraw/zinc/03/40/77/534034077.db2.gz DNJVJOZBQUBLCH-NSHDSACASA-N 1 0 314.345 1.954 20 5 DDBDRO C[C@]12C[N@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000452055515 534189644 /nfs/dbraw/zinc/18/96/44/534189644.db2.gz UMDLCUOOHJWRKQ-XHXGSEDSSA-N 1 0 320.393 1.520 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@]1(C)CCO[C@H]1C ZINC000494242662 534339648 /nfs/dbraw/zinc/33/96/48/534339648.db2.gz URKWBTMLOYZTHN-NHYWBVRUSA-N 1 0 307.350 1.999 20 5 DDBDRO Cc1ccc(NCCCNC(=O)[C@]2(F)CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000160485548 525275266 /nfs/dbraw/zinc/27/52/66/525275266.db2.gz ZNNSGVHQYONZMV-HNNXBMFYSA-N 1 0 324.356 1.523 20 5 DDBDRO CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000451590755 527825681 /nfs/dbraw/zinc/82/56/81/527825681.db2.gz LJKLJLZRLOXMOQ-OLZOCXBDSA-N 1 0 310.354 1.503 20 5 DDBDRO CCOC(=O)c1cc(C(=O)N2CC[C@H]([NH2+]C)C2)cc([N+](=O)[O-])c1 ZINC000422704316 528142099 /nfs/dbraw/zinc/14/20/99/528142099.db2.gz KIYPLTLPEQTFCB-LBPRGKRZSA-N 1 0 321.333 1.205 20 5 DDBDRO CC[NH2+][C@H](C)CNC(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000417189466 528410696 /nfs/dbraw/zinc/41/06/96/528410696.db2.gz WYNFPSHOIBQYMM-SNVBAGLBSA-N 1 0 310.354 1.401 20 5 DDBDRO CCC[NH2+]CCNC(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000417176419 528496327 /nfs/dbraw/zinc/49/63/27/528496327.db2.gz JXSDSOVFFCTDCW-UHFFFAOYSA-N 1 0 310.354 1.402 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000423631491 528612024 /nfs/dbraw/zinc/61/20/24/528612024.db2.gz ZYLCIJZRJQDMPP-QWRGUYRKSA-N 1 0 307.350 1.864 20 5 DDBDRO CC[C@H]1[C@@H](CO)CC[N@@H+]1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000451253358 529338669 /nfs/dbraw/zinc/33/86/69/529338669.db2.gz JNZSTJUTPAXASJ-DOMZBBRYSA-N 1 0 321.377 1.935 20 5 DDBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC000050443593 696231914 /nfs/dbraw/zinc/23/19/14/696231914.db2.gz YXSIQEVUJMICRJ-VIFPVBQESA-N 1 0 318.782 1.773 20 5 DDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CCC[N@H+](CC1CCC1)C2 ZINC000981763844 696906592 /nfs/dbraw/zinc/90/65/92/696906592.db2.gz LXLHHDPJEQVXHB-ZIAGYGMSSA-N 1 0 307.394 1.376 20 5 DDBDRO C[NH+](C)C[C@H]1CCN(Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000172507809 697368714 /nfs/dbraw/zinc/36/87/14/697368714.db2.gz MDHREZOZFXZBMZ-GFCCVEGCSA-N 1 0 303.366 1.786 20 5 DDBDRO COC(=O)CC(C)(C)[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000177926109 697419181 /nfs/dbraw/zinc/41/91/81/697419181.db2.gz LOOXUNRNCJFLKU-UHFFFAOYSA-N 1 0 309.322 1.465 20 5 DDBDRO C[N@H+](Cc1ccns1)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000985426214 697509001 /nfs/dbraw/zinc/50/90/01/697509001.db2.gz NINOXHGYOOWQGG-CHWSQXEVSA-N 1 0 324.406 1.231 20 5 DDBDRO C[N@H+](Cc1cncs1)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000985427200 697509284 /nfs/dbraw/zinc/50/92/84/697509284.db2.gz XTCQFMDWEQYFNO-CHWSQXEVSA-N 1 0 324.406 1.231 20 5 DDBDRO C[NH+]1CCC(ONC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 ZINC000773552087 697779260 /nfs/dbraw/zinc/77/92/60/697779260.db2.gz ZVMNAUATTBQNRN-UHFFFAOYSA-N 1 0 318.333 1.832 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C2CCC3(CC2)OCCO3)c1 ZINC000749679959 700176578 /nfs/dbraw/zinc/17/65/78/700176578.db2.gz YJEPEOUXKIZFFD-HNNXBMFYSA-N 1 0 322.361 1.904 20 5 DDBDRO COC[C@@H]1CCC[N@H+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C1 ZINC000749953537 700194348 /nfs/dbraw/zinc/19/43/48/700194348.db2.gz NSGWZSLPCRKACA-GFCCVEGCSA-N 1 0 319.365 1.964 20 5 DDBDRO CCOC(=O)[C@H]1CCC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776271804 698090309 /nfs/dbraw/zinc/09/03/09/698090309.db2.gz HKHOOXMNMGWFGO-DZGCQCFKSA-N 1 0 322.361 1.903 20 5 DDBDRO CC(=O)OC1CC[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776590867 698123734 /nfs/dbraw/zinc/12/37/34/698123734.db2.gz LURFVDHHLDWHBH-HNNXBMFYSA-N 1 0 308.334 1.656 20 5 DDBDRO CNC(=O)C1([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CCCC1 ZINC000750096446 700203555 /nfs/dbraw/zinc/20/35/55/700203555.db2.gz OERDAPIJPZQPFE-ZDUSSCGKSA-N 1 0 307.350 1.277 20 5 DDBDRO CC(C)(C)[NH2+]CCNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000777803352 698223549 /nfs/dbraw/zinc/22/35/49/698223549.db2.gz BLBFINNIDROAMA-UHFFFAOYSA-N 1 0 323.378 1.717 20 5 DDBDRO O=C1NCC2(CC[NH+](CCOc3ccccc3[N+](=O)[O-])CC2)O1 ZINC000782005357 698673240 /nfs/dbraw/zinc/67/32/40/698673240.db2.gz ZNYGYMGKRFEXKA-UHFFFAOYSA-N 1 0 321.333 1.548 20 5 DDBDRO Cc1c(NC(=O)CC[N@@H+]2C[C@H]3C[C@@]3(CO)C2)cccc1[N+](=O)[O-] ZINC000782603122 698747917 /nfs/dbraw/zinc/74/79/17/698747917.db2.gz GBONWZYDSFKGSG-WBMJQRKESA-N 1 0 319.361 1.546 20 5 DDBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000424024467 699147419 /nfs/dbraw/zinc/14/74/19/699147419.db2.gz HMMNQFSODMVNEZ-MRXNPFEDSA-N 1 0 303.362 1.882 20 5 DDBDRO C[NH+](C)CCn1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2F)n1 ZINC000726504827 699365619 /nfs/dbraw/zinc/36/56/19/699365619.db2.gz HYANCFVVMRNFKX-UHFFFAOYSA-N 1 0 321.312 1.744 20 5 DDBDRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NCC[N+](=O)[O-])CC1 ZINC000791053328 699608964 /nfs/dbraw/zinc/60/89/64/699608964.db2.gz DGTYLZIGXDRQLI-ZDUSSCGKSA-N 1 0 324.400 1.895 20 5 DDBDRO C[NH+]1CCC(NC(=S)NCCc2ccccc2[N+](=O)[O-])CC1 ZINC000741874383 699855307 /nfs/dbraw/zinc/85/53/07/699855307.db2.gz QNHHPLMQJYLSOD-UHFFFAOYSA-N 1 0 322.434 1.696 20 5 DDBDRO C[N@H+](CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O)C1CCC1 ZINC000742172571 699863040 /nfs/dbraw/zinc/86/30/40/699863040.db2.gz FTCJYTZNASSLEZ-UHFFFAOYSA-N 1 0 318.333 1.805 20 5 DDBDRO COC(=O)C[C@@]1([NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)CCOC1 ZINC000801540190 700318961 /nfs/dbraw/zinc/31/89/61/700318961.db2.gz JMOFJMUPKUURRG-AWEZNQCLSA-N 1 0 312.297 1.546 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC[C@H](C(F)(F)F)C2)c1 ZINC000761056552 700837638 /nfs/dbraw/zinc/83/76/38/700837638.db2.gz YADKAXYKHMQBIA-WPRPVWTQSA-N 1 0 308.260 1.036 20 5 DDBDRO C[C@H](CC[NH+](C)C)NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768841927 701208730 /nfs/dbraw/zinc/20/87/30/701208730.db2.gz KAOMAGCRFCYDEF-MRVPVSSYSA-N 1 0 307.397 1.275 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NNC(=S)NC1CC[NH+](C)CC1 ZINC000806590468 701442320 /nfs/dbraw/zinc/44/23/20/701442320.db2.gz QSQACGNEXQSGCZ-UHFFFAOYSA-N 1 0 323.422 1.788 20 5 DDBDRO Cc1ccc(CNC(=O)C[NH2+]C[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000867996133 701879915 /nfs/dbraw/zinc/87/99/15/701879915.db2.gz QUGPSBCYUZCZCP-ZDUSSCGKSA-N 1 0 307.350 1.288 20 5 DDBDRO C[C@H](CCS(C)(=O)=O)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815588848 701900486 /nfs/dbraw/zinc/90/04/86/701900486.db2.gz AKRYVKPSUFBPOM-ZJUUUORDSA-N 1 0 315.395 1.651 20 5 DDBDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815600407 701902257 /nfs/dbraw/zinc/90/22/57/701902257.db2.gz SLVHPGYLASAVMS-UFGOTCBOSA-N 1 0 306.366 1.742 20 5 DDBDRO Cc1nn(C[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)c(C)c1[N+](=O)[O-] ZINC000840118326 701977753 /nfs/dbraw/zinc/97/77/53/701977753.db2.gz DBDZOADAHRXHMU-MJBXVCDLSA-N 1 0 308.382 1.991 20 5 DDBDRO Cc1ccc(CNC(=O)N[C@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000868363823 702085817 /nfs/dbraw/zinc/08/58/17/702085817.db2.gz QUIIVXAYIMZSES-ZDUSSCGKSA-N 1 0 306.366 1.797 20 5 DDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000866204652 706648043 /nfs/dbraw/zinc/64/80/43/706648043.db2.gz FMUURESLXBONGC-RISCZKNCSA-N 1 0 318.377 1.485 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@@H]3CNCCO3)CC2)cc1 ZINC000841101305 702346830 /nfs/dbraw/zinc/34/68/30/702346830.db2.gz RXLALHYMNBWMHK-INIZCTEOSA-N 1 0 320.393 1.142 20 5 DDBDRO [NH3+][C@H]1CCCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC000818432713 702647945 /nfs/dbraw/zinc/64/79/45/702647945.db2.gz BGPODKDZGDEPAG-VIFPVBQESA-N 1 0 315.732 1.880 20 5 DDBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)C[NH3+] ZINC000842783003 702772873 /nfs/dbraw/zinc/77/28/73/702772873.db2.gz JHMCDGDGOXCDMU-ZETCQYMHSA-N 1 0 307.759 1.182 20 5 DDBDRO Cc1cc(S(=O)(=O)N[C@H](C)CC[NH3+])cc([N+](=O)[O-])c1F ZINC000842789765 702773976 /nfs/dbraw/zinc/77/39/76/702773976.db2.gz CNJNWVCWLUAOOG-MRVPVSSYSA-N 1 0 305.331 1.058 20 5 DDBDRO CC(C)C[C@@H](O)C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000843069121 702812986 /nfs/dbraw/zinc/81/29/86/702812986.db2.gz JSUQUMGSAUCHRB-ZIAGYGMSSA-N 1 0 312.366 1.331 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@H](CO)Cc2ccccc2)c1 ZINC000843072959 702813719 /nfs/dbraw/zinc/81/37/19/702813719.db2.gz HUNSSXLCGYJNLN-RDJZCZTQSA-N 1 0 316.357 1.821 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CC2(CO)CCOCC2)c1 ZINC000843075574 702814325 /nfs/dbraw/zinc/81/43/25/702814325.db2.gz MNZICAKLHSGTNF-CQSZACIVSA-N 1 0 310.350 1.007 20 5 DDBDRO O=[N+]([O-])c1ccc(Cl)c(CN2CCN([C@H]3CC[NH2+]C3)CC2)c1 ZINC000843124882 702824466 /nfs/dbraw/zinc/82/44/66/702824466.db2.gz OGXSQSQRZOHRPJ-AWEZNQCLSA-N 1 0 324.812 1.728 20 5 DDBDRO Nc1ccc(-c2noc(CC3CC[NH2+]CC3)n2)cc1[N+](=O)[O-] ZINC000843169772 702832549 /nfs/dbraw/zinc/83/25/49/702832549.db2.gz PFNOAWNNUKEPRM-UHFFFAOYSA-N 1 0 303.322 1.769 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)NC2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000843285453 702854269 /nfs/dbraw/zinc/85/42/69/702854269.db2.gz NUBTYPLMYFZIPT-UHFFFAOYSA-N 1 0 308.294 1.293 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N[C@](C)(C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000843344167 702863051 /nfs/dbraw/zinc/86/30/51/702863051.db2.gz RKDWLMFLWROGNK-CQSZACIVSA-N 1 0 322.321 1.669 20 5 DDBDRO Cc1cc(F)cc(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)c1[N+](=O)[O-] ZINC000843483471 702890759 /nfs/dbraw/zinc/89/07/59/702890759.db2.gz BDYBYPVYDBQIKF-SNVBAGLBSA-N 1 0 317.267 1.769 20 5 DDBDRO C[C@@H]([NH3+])[C@H](C)NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000843487307 702891270 /nfs/dbraw/zinc/89/12/70/702891270.db2.gz OHDDOFWFMRFZHT-RQJHMYQMSA-N 1 0 303.721 1.782 20 5 DDBDRO Cc1c(C(=O)NCC2([NH3+])CCC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000831549593 706729296 /nfs/dbraw/zinc/72/92/96/706729296.db2.gz GOAWQQMJMFFUHR-UHFFFAOYSA-N 1 0 322.321 1.731 20 5 DDBDRO Nc1ccc(C(=O)N2CC3CCC2(C[NH3+])CC3)cc1[N+](=O)[O-] ZINC000846680211 703315441 /nfs/dbraw/zinc/31/54/41/703315441.db2.gz DOXSLMMJNMOAQH-UHFFFAOYSA-N 1 0 304.350 1.521 20 5 DDBDRO C[N@@H+]1CC[C@H](CCOC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000847823443 703472804 /nfs/dbraw/zinc/47/28/04/703472804.db2.gz FFSYFYXGXQIOSY-GFCCVEGCSA-N 1 0 308.334 1.859 20 5 DDBDRO C[NH+](C)CCCNC(=S)NNc1ccc([N+](=O)[O-])cc1F ZINC000849288054 703632206 /nfs/dbraw/zinc/63/22/06/703632206.db2.gz DEWHKZYJVCSIHQ-UHFFFAOYSA-N 1 0 315.374 1.477 20 5 DDBDRO C[C@H](CCNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])[NH+](C)C ZINC000849429356 703647024 /nfs/dbraw/zinc/64/70/24/703647024.db2.gz OCFZZYRPCGFHMA-SECBINFHSA-N 1 0 319.358 1.352 20 5 DDBDRO CCO[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1C)C[NH+](C)C ZINC000831751935 706771147 /nfs/dbraw/zinc/77/11/47/706771147.db2.gz SSEMHUQZNJFIKK-ZDUSSCGKSA-N 1 0 309.366 1.600 20 5 DDBDRO COCC1([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000852089606 703920526 /nfs/dbraw/zinc/92/05/26/703920526.db2.gz HSJAVLNMOFQECW-CQSZACIVSA-N 1 0 310.350 1.413 20 5 DDBDRO C[C@@H]1C[C@@H]1N1C[C@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1=O ZINC000819120951 704072127 /nfs/dbraw/zinc/07/21/27/704072127.db2.gz DKGYFUDZFQQUAN-WAZAZEMKSA-N 1 0 319.361 1.227 20 5 DDBDRO CC(C)(C)N1C[C@@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1=O ZINC000819127595 704072962 /nfs/dbraw/zinc/07/29/62/704072962.db2.gz UYNWJHZBBBLZCP-GXTWGEPZSA-N 1 0 321.377 1.617 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CCCO[C@@H]2CCOC2)cc1 ZINC000819149965 704076393 /nfs/dbraw/zinc/07/63/93/704076393.db2.gz MEWBGQMVIYYJDV-HUUCEWRRSA-N 1 0 310.350 1.413 20 5 DDBDRO CCC(=O)N1CC[C@@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819163923 704079091 /nfs/dbraw/zinc/07/90/91/704079091.db2.gz OELDRIIIXOLLKQ-OCCSQVGLSA-N 1 0 307.350 1.229 20 5 DDBDRO O=C(C[NH+]1CCCC1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000820082704 704218220 /nfs/dbraw/zinc/21/82/20/704218220.db2.gz JHFZFLGUILXNGZ-GFCCVEGCSA-N 1 0 319.365 1.098 20 5 DDBDRO O=[N+]([O-])c1ccc2c(cnn2C[N@@H+]2CC[C@H]3COC[C@@H]3C2)c1 ZINC000853586437 704276534 /nfs/dbraw/zinc/27/65/34/704276534.db2.gz RMQXRUCMLFGDFL-AAEUAGOBSA-N 1 0 302.334 1.870 20 5 DDBDRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000820502656 704291324 /nfs/dbraw/zinc/29/13/24/704291324.db2.gz BEJVOKYTSMJXLK-SMDDNHRTSA-N 1 0 320.393 1.825 20 5 DDBDRO CCc1ccc(OS(=O)(=O)CCC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000866797921 706804767 /nfs/dbraw/zinc/80/47/67/706804767.db2.gz WSLHQDBMQCDUDF-UHFFFAOYSA-N 1 0 316.379 1.818 20 5 DDBDRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000855284599 704477246 /nfs/dbraw/zinc/47/72/46/704477246.db2.gz WDBKTWSLNQZIFM-GXTWGEPZSA-N 1 0 321.377 1.617 20 5 DDBDRO C[C@@H]1[C@H](C)N(C(=O)Cc2cccc(F)c2[N+](=O)[O-])CC[N@H+]1C ZINC000867188238 706918764 /nfs/dbraw/zinc/91/87/64/706918764.db2.gz WEFPIJJBOZJQGQ-MNOVXSKESA-N 1 0 309.341 1.827 20 5 DDBDRO C[NH+](C)C1(CNC(=O)CCc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000822938375 705088205 /nfs/dbraw/zinc/08/82/05/705088205.db2.gz VSQKJBHPQNAEEP-UHFFFAOYSA-N 1 0 309.341 1.877 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3C)c1[N+](=O)[O-] ZINC000874839962 705195542 /nfs/dbraw/zinc/19/55/42/705195542.db2.gz YOHLHBPDTOZNQS-WDEREUQCSA-N 1 0 321.381 1.750 20 5 DDBDRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000874850727 705203452 /nfs/dbraw/zinc/20/34/52/705203452.db2.gz WFPULLZBCUORJU-HUUCEWRRSA-N 1 0 303.362 1.832 20 5 DDBDRO C[NH+](C)CC(C)(C)CNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000823970972 705347820 /nfs/dbraw/zinc/34/78/20/705347820.db2.gz JMEZUGSTSCXUCU-ZDUSSCGKSA-N 1 0 309.366 1.332 20 5 DDBDRO O=C(CCC1C[NH2+]C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000876550654 705754441 /nfs/dbraw/zinc/75/44/41/705754441.db2.gz ACHVOMIQUKBVJL-UHFFFAOYSA-N 1 0 318.377 1.243 20 5 DDBDRO CC(C)(CCC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)[N+](=O)[O-] ZINC000826700622 705850841 /nfs/dbraw/zinc/85/08/41/705850841.db2.gz MIVGHCWDLTZTON-ZDUSSCGKSA-N 1 0 313.398 1.003 20 5 DDBDRO CCC[N@H+](CC)CCNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000826757503 705866587 /nfs/dbraw/zinc/86/65/87/705866587.db2.gz DKJNGCUYPKALHN-AWEZNQCLSA-N 1 0 309.366 1.476 20 5 DDBDRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000877022090 705962057 /nfs/dbraw/zinc/96/20/57/705962057.db2.gz HGIUFCILWDFHMU-NWDGAFQWSA-N 1 0 311.313 1.369 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000827269758 705965195 /nfs/dbraw/zinc/96/51/95/705965195.db2.gz ZUSKEJGTJNQOAH-RISCZKNCSA-N 1 0 319.361 1.770 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3N)CC[C@H]21 ZINC000827278211 705967167 /nfs/dbraw/zinc/96/71/67/705967167.db2.gz VDUYPHRLGNACGD-QMTHXVAHSA-N 1 0 304.350 1.343 20 5 DDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@H](CO)c3ccc(F)cc3)C2)c1 ZINC000877040239 705969287 /nfs/dbraw/zinc/96/92/87/705969287.db2.gz BLBJCYUIRUFNJV-SSDMNJCBSA-N 1 0 320.324 1.957 20 5 DDBDRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000877172318 706005895 /nfs/dbraw/zinc/00/58/95/706005895.db2.gz QHYKZRIXKAKPQK-APPZFPTMSA-N 1 0 315.732 1.878 20 5 DDBDRO [NH3+][C@H]1C[C@H](CNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC000877244172 706031268 /nfs/dbraw/zinc/03/12/68/706031268.db2.gz VTOZDMWMWFCATP-XWEPSHTISA-N 1 0 315.732 1.783 20 5 DDBDRO COc1ccc(C(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)cc1[N+](=O)[O-] ZINC000877289599 706050490 /nfs/dbraw/zinc/05/04/90/706050490.db2.gz VKOXVKQQCXPXOY-NWDGAFQWSA-N 1 0 305.334 1.570 20 5 DDBDRO O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)c1cccc([N+](=O)[O-])c1 ZINC000877336234 706068336 /nfs/dbraw/zinc/06/83/36/706068336.db2.gz IBJVHZTUQPTYFT-CQSZACIVSA-N 1 0 319.361 1.483 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000877401196 706096805 /nfs/dbraw/zinc/09/68/05/706096805.db2.gz ZBKABUDRIPWNFY-UKRRQHHQSA-N 1 0 305.334 1.374 20 5 DDBDRO COc1ccnc(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)c1F ZINC000877629723 706164918 /nfs/dbraw/zinc/16/49/18/706164918.db2.gz ACUVIIXOZNTSGY-UHFFFAOYSA-N 1 0 321.312 1.827 20 5 DDBDRO C[NH+](C)C[C@]1(O)CCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000878868109 706520413 /nfs/dbraw/zinc/52/04/13/706520413.db2.gz LJWFBBHSXYSQQC-JKSUJKDBSA-N 1 0 323.393 1.017 20 5 DDBDRO C[N@@H+]1CCN(C(=O)Nc2ccncc2[N+](=O)[O-])CCC1(C)C ZINC000879072098 706580028 /nfs/dbraw/zinc/58/00/28/706580028.db2.gz QUBWUGNUCQGHLG-UHFFFAOYSA-N 1 0 307.354 1.360 20 5 DDBDRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000880134676 706887209 /nfs/dbraw/zinc/88/72/09/706887209.db2.gz OIYAJPRLQNJLJW-LSDHHAIUSA-N 1 0 318.377 1.702 20 5 DDBDRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000832489653 706924880 /nfs/dbraw/zinc/92/48/80/706924880.db2.gz AIRDEWYVHGMZKV-MGPQQGTHSA-N 1 0 307.350 1.227 20 5 DDBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC[C@@H]1CNC(=O)C1 ZINC000926976365 712925557 /nfs/dbraw/zinc/92/55/57/712925557.db2.gz CFJKBMCQVKRXMT-QWRGUYRKSA-N 1 0 309.341 1.781 20 5 DDBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@@H](O)C[NH+](C)C ZINC000872032916 707282899 /nfs/dbraw/zinc/28/28/99/707282899.db2.gz BZTVZOTXOXNEIV-CMPLNLGQSA-N 1 0 313.423 1.890 20 5 DDBDRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2c1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000872778977 707596560 /nfs/dbraw/zinc/59/65/60/707596560.db2.gz BWLWHGHHTQWBSK-RYUDHWBXSA-N 1 0 304.350 1.367 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CCOC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000873396538 707836383 /nfs/dbraw/zinc/83/63/83/707836383.db2.gz RJQCBSJONUWVPF-ZDUSSCGKSA-N 1 0 324.381 1.907 20 5 DDBDRO CN(CC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])CCOCCO ZINC000883351981 707983089 /nfs/dbraw/zinc/98/30/89/707983089.db2.gz PRKIWDIOXBPOIM-HNNXBMFYSA-N 1 0 323.393 1.112 20 5 DDBDRO O=[N+]([O-])c1cccnc1N1CC[NH+](CC2(O)CCCCC2)CC1 ZINC000839034591 708019259 /nfs/dbraw/zinc/01/92/59/708019259.db2.gz PYWJQXHLOLLULL-UHFFFAOYSA-N 1 0 320.393 1.807 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)c1C ZINC000884299062 708231979 /nfs/dbraw/zinc/23/19/79/708231979.db2.gz KKHSJASXAKFFCS-LLVKDONJSA-N 1 0 313.304 1.939 20 5 DDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]CCOC3CCOCC3)C2)c1 ZINC000897192230 708248949 /nfs/dbraw/zinc/24/89/49/708248949.db2.gz ZGUNUSDYOLFPIF-UHFFFAOYSA-N 1 0 310.354 1.280 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000897220809 708258656 /nfs/dbraw/zinc/25/86/56/708258656.db2.gz DKFGEXUUIIZGCJ-HOTGVXAUSA-N 1 0 305.378 1.939 20 5 DDBDRO COC(=O)N1CCC[C@H]([C@H](C)[NH2+]Cc2cccnc2[N+](=O)[O-])C1 ZINC000886142922 708704343 /nfs/dbraw/zinc/70/43/43/708704343.db2.gz OINSHCLYRQRISB-AAEUAGOBSA-N 1 0 322.365 1.946 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC23CC[NH+](C)CC3)c1 ZINC000889226269 709464690 /nfs/dbraw/zinc/46/46/90/709464690.db2.gz ZWHVSVJSQFEITK-UHFFFAOYSA-N 1 0 319.361 1.914 20 5 DDBDRO Nc1ccc(C(=O)N2CCC([NH+]3CCC3)CC2)cc1[N+](=O)[O-] ZINC000912885004 713114192 /nfs/dbraw/zinc/11/41/92/713114192.db2.gz YVOIQCBFHBPLJG-UHFFFAOYSA-N 1 0 304.350 1.487 20 5 DDBDRO Cc1ccc(CNC(=O)N[C@H]2CC[NH2+]C[C@@H]2C)cc1[N+](=O)[O-] ZINC000892091362 710370056 /nfs/dbraw/zinc/37/00/56/710370056.db2.gz FMSMWNILOMFQEE-AAEUAGOBSA-N 1 0 306.366 1.700 20 5 DDBDRO Cc1ccc(CNC(=O)N[C@H]2CC[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC000892091494 710370100 /nfs/dbraw/zinc/37/01/00/710370100.db2.gz FMSMWNILOMFQEE-YPMHNXCESA-N 1 0 306.366 1.700 20 5 DDBDRO Cc1ccc(CNC(=O)N[C@@H]2CC23CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000892266873 710406610 /nfs/dbraw/zinc/40/66/10/710406610.db2.gz IEBMOYHTEBZFRR-CQSZACIVSA-N 1 0 318.377 1.845 20 5 DDBDRO COc1cc([N+](=O)[O-])cnc1N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000892319958 710416446 /nfs/dbraw/zinc/41/64/46/710416446.db2.gz REYONNNCJQWKFP-OLZOCXBDSA-N 1 0 322.365 1.034 20 5 DDBDRO COc1cc(C(=O)N[C@@]2(C)C[NH+]3CCC2CC3)ccc1[N+](=O)[O-] ZINC000892785907 710498138 /nfs/dbraw/zinc/49/81/38/710498138.db2.gz RRASMCXQPKHHNY-INIZCTEOSA-N 1 0 319.361 1.818 20 5 DDBDRO C[C@]1(NC(=O)COc2ccccc2[N+](=O)[O-])C[NH+]2CCC1CC2 ZINC000892801432 710502634 /nfs/dbraw/zinc/50/26/34/710502634.db2.gz SLGKEZAVZOXHHT-INIZCTEOSA-N 1 0 319.361 1.574 20 5 DDBDRO Cc1n[nH]c(C(=O)N2C[C@]3(C)C[N@@H+](C)C[C@]3(C)C2)c1[N+](=O)[O-] ZINC000913289232 713192406 /nfs/dbraw/zinc/19/24/06/713192406.db2.gz KJYHKQKYNAOAOR-OKILXGFUSA-N 1 0 307.354 1.040 20 5 DDBDRO C[C@H]1[C@@H](NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC[N@@H+]1C ZINC000928441881 713197517 /nfs/dbraw/zinc/19/75/17/713197517.db2.gz PTMZBRMUWIOEHC-HZMBPMFUSA-N 1 0 316.361 1.827 20 5 DDBDRO COc1c(O)ccc(C[N@@H+]2CCC[C@H]([C@@H](C)O)C2)c1[N+](=O)[O-] ZINC000893418026 710644781 /nfs/dbraw/zinc/64/47/81/710644781.db2.gz NZBVVBPIHICVAZ-MNOVXSKESA-N 1 0 310.350 1.902 20 5 DDBDRO C[C@@H]1[C@@H](NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC[N@@H+]1C ZINC000928444036 713198267 /nfs/dbraw/zinc/19/82/67/713198267.db2.gz IJXRACWCVXEBRK-SKDRFNHKSA-N 1 0 311.313 1.322 20 5 DDBDRO COc1cc([C@H](C)[NH2+]CCCN2CCOCC2)cc([N+](=O)[O-])c1 ZINC000903056424 711018830 /nfs/dbraw/zinc/01/88/30/711018830.db2.gz UQDXIXAZQYVZQO-ZDUSSCGKSA-N 1 0 323.393 1.976 20 5 DDBDRO CCN1C[C@@H]([NH2+][C@@H](C)c2cc(OC)cc([N+](=O)[O-])c2)CC1=O ZINC000903177749 711056450 /nfs/dbraw/zinc/05/64/50/711056450.db2.gz AYIPMWBQVXSKPX-JQWIXIFHSA-N 1 0 307.350 1.875 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CN1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903512745 711161030 /nfs/dbraw/zinc/16/10/30/711161030.db2.gz FYQAFOBLXPSJSW-GHMZBOCLSA-N 1 0 319.283 1.925 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(-c2nc(N3CC[NH2+]CC3)no2)c1C ZINC000904126541 711387183 /nfs/dbraw/zinc/38/71/83/711387183.db2.gz NCMGOXJAMQORID-UHFFFAOYSA-N 1 0 303.322 1.671 20 5 DDBDRO CCn1nc(C)c([N+](=O)[O-])c1N[C@H](C)[C@H]1C[N@H+](C)CCN1C ZINC000895246342 711464097 /nfs/dbraw/zinc/46/40/97/711464097.db2.gz NBFHJVGEASGMPJ-ZYHUDNBSSA-N 1 0 310.402 1.166 20 5 DDBDRO CNC(=O)c1ccc(N2CC[C@@H](CC[NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000895330774 711486573 /nfs/dbraw/zinc/48/65/73/711486573.db2.gz RDXNRGITKMIJCV-GFCCVEGCSA-N 1 0 320.393 1.732 20 5 DDBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000896524082 711738218 /nfs/dbraw/zinc/73/82/18/711738218.db2.gz SBXALVRCMHCOEE-ZDUSSCGKSA-N 1 0 323.397 1.785 20 5 DDBDRO Cc1c(C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCN2C)cccc1[N+](=O)[O-] ZINC000896580800 711758258 /nfs/dbraw/zinc/75/82/58/711758258.db2.gz IYKJTLDPURECNG-WFASDCNBSA-N 1 0 320.393 1.267 20 5 DDBDRO C[C@@]1(CN2CCN(c3ncccc3[N+](=O)[O-])CC2)CCC[NH2+]C1 ZINC000904369496 711848053 /nfs/dbraw/zinc/84/80/53/711848053.db2.gz XQZCXOJARAWJAY-MRXNPFEDSA-N 1 0 319.409 1.502 20 5 DDBDRO O=C(CC[NH2+]CC[N+](=O)[O-])Nc1ccc(Br)cc1 ZINC000905059205 711923514 /nfs/dbraw/zinc/92/35/14/711923514.db2.gz LOLKLSIUXXGQQN-UHFFFAOYSA-N 1 0 316.155 1.644 20 5 DDBDRO O=[N+]([O-])CC[NH2+]C[C@H](c1cccc(Cl)c1)N1CCOCC1 ZINC000905081125 711929804 /nfs/dbraw/zinc/92/98/04/711929804.db2.gz HMSZRXGUJGVKBR-CQSZACIVSA-N 1 0 313.785 1.580 20 5 DDBDRO Cc1ccc(CNC(=O)C[C@]2(O)CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000913754688 713295792 /nfs/dbraw/zinc/29/57/92/713295792.db2.gz VBTMVXDEMMVSLV-MRXNPFEDSA-N 1 0 321.377 1.366 20 5 DDBDRO CN1C[C@H](CC[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000905534634 712068794 /nfs/dbraw/zinc/06/87/94/712068794.db2.gz ZWOADPZNBUKPLD-BXUZGUMPSA-N 1 0 307.350 1.086 20 5 DDBDRO C[C@@H]1CCN(C(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C[C@@H]1[NH3+] ZINC000906635757 712375299 /nfs/dbraw/zinc/37/52/99/712375299.db2.gz NQJCGCNQDVOLFN-RABLLNBGSA-N 1 0 303.362 1.894 20 5 DDBDRO Cn1nc2c(c1C[NH2+]Cc1ccc([N+](=O)[O-])cc1)COCC2 ZINC000921561185 713808423 /nfs/dbraw/zinc/80/84/23/713808423.db2.gz ALHDZOKFFJGJNX-UHFFFAOYSA-N 1 0 302.334 1.691 20 5 DDBDRO Cn1nc2c(c1C[NH2+]CCOc1ccc([N+](=O)[O-])cc1)CCC2 ZINC000921721579 713853594 /nfs/dbraw/zinc/85/35/94/713853594.db2.gz KWQVJULZCZZMOC-UHFFFAOYSA-N 1 0 316.361 1.986 20 5 DDBDRO C[N@H+]1C[C@H]2CC[C@@H](C1)N2CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000931394611 714083217 /nfs/dbraw/zinc/08/32/17/714083217.db2.gz AZJYKILZQVCRPC-TXEJJXNPSA-N 1 0 304.350 1.312 20 5 DDBDRO Cc1ccc(C[NH2+][C@@H]2CCc3nnn(C)c3C2)cc1[N+](=O)[O-] ZINC000922995584 714207773 /nfs/dbraw/zinc/20/77/73/714207773.db2.gz BZZQSROLPPCDKP-GFCCVEGCSA-N 1 0 301.350 1.679 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000923303541 714304154 /nfs/dbraw/zinc/30/41/54/714304154.db2.gz GBYHULZIYXSASS-GXTWGEPZSA-N 1 0 319.361 1.669 20 5 DDBDRO C[C@@H]1[C@H](C)[NH2+]CCN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000923345909 714322285 /nfs/dbraw/zinc/32/22/85/714322285.db2.gz OXICMBNBQWDMNJ-SCRDCRAPSA-N 1 0 309.366 1.017 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)CN[C@@H]1CC[NH2+]C12CCC2 ZINC000923398770 714342025 /nfs/dbraw/zinc/34/20/25/714342025.db2.gz LVSYQTIXVZGIER-SWLSCSKDSA-N 1 0 321.377 1.209 20 5 DDBDRO C[C@@H]1COC[C@@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000932493434 714345846 /nfs/dbraw/zinc/34/58/46/714345846.db2.gz FZWHDYDZVYWQMY-PELKAZGASA-N 1 0 313.741 1.811 20 5 DDBDRO [NH3+]CCN(C[C@H](O)c1cccc([N+](=O)[O-])c1)CC(F)(F)F ZINC000923420305 714350664 /nfs/dbraw/zinc/35/06/64/714350664.db2.gz HRZXSXJUBQYPAM-NSHDSACASA-N 1 0 307.272 1.451 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923521654 714389431 /nfs/dbraw/zinc/38/94/31/714389431.db2.gz RXXNKEXPXKCPIQ-QWHCGFSZSA-N 1 0 318.377 1.383 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@H]1C[C@@H](O)C[N@H+]1C ZINC000924990244 714718259 /nfs/dbraw/zinc/71/82/59/714718259.db2.gz UYVVSLXYMFQWSO-CHWSQXEVSA-N 1 0 321.377 1.315 20 5 DDBDRO CSC1CC([NH2+][C@@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000925079911 714743242 /nfs/dbraw/zinc/74/32/42/714743242.db2.gz HQMOGECGDFIHSW-AKUTZHFWSA-N 1 0 312.391 1.473 20 5 DDBDRO O=[N+]([O-])c1cc(F)ccc1CN1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000934272220 714783316 /nfs/dbraw/zinc/78/33/16/714783316.db2.gz IISXQMYKXHFQDK-HUUCEWRRSA-N 1 0 323.368 1.765 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCCC[C@H]([C@@H]3CCOC3)C2)n1 ZINC000934838778 714914128 /nfs/dbraw/zinc/91/41/28/714914128.db2.gz OZFOKYWGXRIRGD-UONOGXRCSA-N 1 0 308.382 1.930 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000935431359 715053627 /nfs/dbraw/zinc/05/36/27/715053627.db2.gz ZTUHQBPIXHXYKB-LBPRGKRZSA-N 1 0 309.370 1.089 20 5 DDBDRO Cc1ccnc(N2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)c1[N+](=O)[O-] ZINC001164928551 721854171 /nfs/dbraw/zinc/85/41/71/721854171.db2.gz OFDFHGNKIGDNSP-UONOGXRCSA-N 1 0 319.409 1.513 20 5 DDBDRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1ncc([N+](=O)[O-])cc1F ZINC001164930428 721858716 /nfs/dbraw/zinc/85/87/16/721858716.db2.gz RWYUQDGNAVTDLZ-KBPBESRZSA-N 1 0 323.372 1.344 20 5 DDBDRO COc1nc(-n2ccnc2[C@@H]2CCC[NH2+]C2)ncc1[N+](=O)[O-] ZINC001167054515 732352213 /nfs/dbraw/zinc/35/22/13/732352213.db2.gz AYIQOPJIDLELAJ-SECBINFHSA-N 1 0 304.310 1.046 20 5 DDBDRO CCOC(=O)c1ccc(-n2ccc(CC[NH3+])n2)c([N+](=O)[O-])c1 ZINC001167731307 737217440 /nfs/dbraw/zinc/21/74/40/737217440.db2.gz FCKAWYZBOQNBFZ-UHFFFAOYSA-N 1 0 304.306 1.458 20 5 DDBDRO COC(=O)c1c(C)c([N+](=O)[O-])ccc1NC(=N)SCC[NH3+] ZINC001167916898 739462309 /nfs/dbraw/zinc/46/23/09/739462309.db2.gz ZTZSJABWQDDWBL-UHFFFAOYSA-N 1 0 312.351 1.728 20 5 DDBDRO O=C(C[NH+]1CCCC1)N[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC001059649679 741477155 /nfs/dbraw/zinc/47/71/55/741477155.db2.gz KPERUFGTAQNZOZ-TXEJJXNPSA-N 1 0 319.365 1.145 20 5 DDBDRO O=[N+]([O-])c1c(NCC2(F)CCOCC2)ncnc1C1C[NH2+]C1 ZINC001168124075 741515170 /nfs/dbraw/zinc/51/51/70/741515170.db2.gz ODTJBMFXTSSFJB-UHFFFAOYSA-N 1 0 311.317 1.002 20 5 DDBDRO CCCOCC(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001124484094 748277650 /nfs/dbraw/zinc/27/76/50/748277650.db2.gz QIHHGQYUNOYBNY-UHFFFAOYSA-N 1 0 301.368 1.289 20 5 DDBDRO CN1CCN(C(=[NH2+])Nc2ccnc3c2cccc3[N+](=O)[O-])CC1 ZINC001168740380 748722185 /nfs/dbraw/zinc/72/21/85/748722185.db2.gz GODXVSGTDIBMRX-UHFFFAOYSA-N 1 0 314.349 1.737 20 5 DDBDRO C[NH+](C)CCC(=O)NC/C=C\CNc1ccccc1[N+](=O)[O-] ZINC001107489289 750045383 /nfs/dbraw/zinc/04/53/83/750045383.db2.gz ASPUEONHPAYHJX-WAYWQWQTSA-N 1 0 306.366 1.631 20 5 DDBDRO Cc1c(-n2cc3c(n2)CC[C@@H]([NH3+])C3)ccc([N+](=O)[O-])c1[N+](=O)[O-] ZINC001168817751 762028661 /nfs/dbraw/zinc/02/86/61/762028661.db2.gz ZAZDWJHMKJQYPK-SNVBAGLBSA-N 1 0 317.305 1.813 20 5 DDBDRO [NH3+]Cc1ccc2ncn(-c3ncnc(Cl)c3[N+](=O)[O-])c2c1 ZINC001168838367 762064693 /nfs/dbraw/zinc/06/46/93/762064693.db2.gz JDVYCUTTXGWXGA-UHFFFAOYSA-N 1 0 304.697 1.836 20 5 DDBDRO CCC1(Nc2cc3c(c([N+](=O)[O-])c2)N(C(C)=O)CC3)C[NH2+]C1 ZINC001168582729 751134475 /nfs/dbraw/zinc/13/44/75/751134475.db2.gz YWBDBYRHJGWMSG-UHFFFAOYSA-N 1 0 304.350 1.668 20 5 DDBDRO O=C(NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ncccn1 ZINC001168942282 762135087 /nfs/dbraw/zinc/13/50/87/762135087.db2.gz FKQSROSTGHSISN-UHFFFAOYSA-N 1 0 315.333 1.295 20 5 DDBDRO [NH3+]CCc1cnn(-c2ncc([N+](=O)[O-])cc2C(F)(F)F)c1 ZINC001168949599 762138466 /nfs/dbraw/zinc/13/84/66/762138466.db2.gz MKBJITCOYTYIEE-UHFFFAOYSA-N 1 0 301.228 1.696 20 5 DDBDRO COCc1cccc([C@H](CO)[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001169004470 762173742 /nfs/dbraw/zinc/17/37/42/762173742.db2.gz QZVYKYQKPCUTNF-WQVCFCJDSA-N 1 0 308.378 1.901 20 5 DDBDRO C[N@H+](CCNC(=O)OC(C)(C)C)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169006729 762174801 /nfs/dbraw/zinc/17/48/01/762174801.db2.gz JFUJKXQMEJKKLJ-RYUDHWBXSA-N 1 0 301.387 1.888 20 5 DDBDRO CCN1CC[C@@]2(C[N@@H+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@@H]2C)C1=O ZINC001169025838 762203214 /nfs/dbraw/zinc/20/32/14/762203214.db2.gz ZGHNKMYSVBISMA-YXWQFLTLSA-N 1 0 309.410 1.622 20 5 DDBDRO Cc1cnc(N2CC[NH+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)nc1 ZINC001169048642 762205999 /nfs/dbraw/zinc/20/59/99/762205999.db2.gz AGPCUPOTNFPNKJ-KGLIPLIRSA-N 1 0 305.382 1.352 20 5 DDBDRO COc1ccc(O[C@@H]2CC[N@@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C2)nc1 ZINC001169054467 762210297 /nfs/dbraw/zinc/21/02/97/762210297.db2.gz MEGADDRCOXJBCA-GZBFAFLISA-N 1 0 321.377 1.989 20 5 DDBDRO Cc1cc(N([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C2CC[NH2+]CC2)ncn1 ZINC001169057618 762211269 /nfs/dbraw/zinc/21/12/69/762211269.db2.gz WIVMQRWRVFBZMW-DZGCQCFKSA-N 1 0 319.409 1.789 20 5 DDBDRO CC(C)[NH2+]Cc1ccc(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c(F)c1 ZINC001001522564 754376515 /nfs/dbraw/zinc/37/65/15/754376515.db2.gz FOQPQVZMAILBRA-TZMCWYRMSA-N 1 0 309.341 1.605 20 5 DDBDRO CCOC(=O)c1cnc(N(CCC[NH3+])C(C)C)c([N+](=O)[O-])c1 ZINC001164122888 755998912 /nfs/dbraw/zinc/99/89/12/755998912.db2.gz RGNKNZCNYJIELS-UHFFFAOYSA-N 1 0 310.354 1.730 20 5 DDBDRO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])s1)[C@@H]1C[N@H+](C)CCN1C ZINC000829053682 759871056 /nfs/dbraw/zinc/87/10/56/759871056.db2.gz IYNZNMKFPPTZES-ZJUUUORDSA-N 1 0 312.395 1.020 20 5 DDBDRO CC(C)=CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1 ZINC001050517661 763694226 /nfs/dbraw/zinc/69/42/26/763694226.db2.gz ZSVORLVRSMQGJC-ZIAGYGMSSA-N 1 0 307.394 1.542 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])cc1N[C@H](C)[C@H]1C[NH2+]CCO1 ZINC001170565690 768165183 /nfs/dbraw/zinc/16/51/83/768165183.db2.gz CXHRTORLTTZMKO-NOZJJQNGSA-N 1 0 309.322 1.170 20 5 DDBDRO COc1ccc(C[C@@H](C)[NH2+][C@]2(CO)CCOC2)c([N+](=O)[O-])c1 ZINC001170326839 766253061 /nfs/dbraw/zinc/25/30/61/766253061.db2.gz OPKQIYFKWLATPI-ABAIWWIYSA-N 1 0 310.350 1.275 20 5 DDBDRO CCn1c(C[N+](=O)[O-])nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC001121698237 782632099 /nfs/dbraw/zinc/63/20/99/782632099.db2.gz DOXMBIXNTSFHED-GFCCVEGCSA-N 1 0 310.402 1.243 20 5 DDBDRO CCc1n[nH]cc1C(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001130723982 767698368 /nfs/dbraw/zinc/69/83/68/767698368.db2.gz CREGLJGTHHZBDR-UHFFFAOYSA-N 1 0 317.349 1.400 20 5 DDBDRO O=C(NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)C1CC2(CC2)C1 ZINC001133646315 770094852 /nfs/dbraw/zinc/09/48/52/770094852.db2.gz FBWYTKMHLRDCKD-UHFFFAOYSA-N 1 0 303.362 1.991 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(OC(C)C)cc1N[C@H]1C[NH2+]C[C@@H]1CO ZINC001170790476 771318726 /nfs/dbraw/zinc/31/87/26/771318726.db2.gz XKAHVOPEGZXZTD-YPMHNXCESA-N 1 0 309.366 1.683 20 5 DDBDRO CC[N@H+](C)CCC(=O)N[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001097056879 771610795 /nfs/dbraw/zinc/61/07/95/771610795.db2.gz NNGQLYHUSTYPQI-HDJSIYSDSA-N 1 0 320.393 1.996 20 5 DDBDRO O=C(CCn1cccc1)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001135736963 771681210 /nfs/dbraw/zinc/68/12/10/771681210.db2.gz VHSDHPPSPMHXOH-UHFFFAOYSA-N 1 0 316.361 1.692 20 5 DDBDRO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1cc([N+](=O)[O-])cc(C)c1F ZINC001170874359 771808746 /nfs/dbraw/zinc/80/87/46/771808746.db2.gz IEOMREDTQRIWFF-ZYHUDNBSSA-N 1 0 311.313 1.605 20 5 DDBDRO CCC[N@H+](C)CCC(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001148571121 773528001 /nfs/dbraw/zinc/52/80/01/773528001.db2.gz WWYSQOLHFXLRKH-UHFFFAOYSA-N 1 0 322.409 1.533 20 5 DDBDRO CC[NH+](CC)CC(=O)NCCNc1ccc(C)cc1[N+](=O)[O-] ZINC001093646895 774947239 /nfs/dbraw/zinc/94/72/39/774947239.db2.gz PYTQBOHWQMAGEO-UHFFFAOYSA-N 1 0 308.382 1.773 20 5 DDBDRO Cc1cnc(NCCNC(=O)C2(C[NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC001094089711 775422766 /nfs/dbraw/zinc/42/27/66/775422766.db2.gz IEWJCJUVKBPPSM-UHFFFAOYSA-N 1 0 321.381 1.168 20 5 DDBDRO C[N@H+](CC(=O)NCCNc1ccc([N+](=O)[O-])cc1F)C1CCC1 ZINC001094221789 775543394 /nfs/dbraw/zinc/54/33/94/775543394.db2.gz QZZJNCIRDCMXES-UHFFFAOYSA-N 1 0 324.356 1.746 20 5 DDBDRO CC(C)NC(=O)C[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172900484 776914919 /nfs/dbraw/zinc/91/49/19/776914919.db2.gz UGPXYMFXRMUEPV-CQSZACIVSA-N 1 0 305.378 1.956 20 5 DDBDRO C[C@@]1(O)COCC[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172906392 776916740 /nfs/dbraw/zinc/91/67/40/776916740.db2.gz XPBWHHXHGSSTGE-RDJZCZTQSA-N 1 0 320.389 1.925 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]C(C)(C)C(N)=O)c1F ZINC001173183692 777035046 /nfs/dbraw/zinc/03/50/46/777035046.db2.gz DFVZXEBECMLHIK-MRVPVSSYSA-N 1 0 313.329 1.527 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C(C)(C)C(N)=O)c1F ZINC001173183695 777035780 /nfs/dbraw/zinc/03/57/80/777035780.db2.gz DFVZXEBECMLHIK-QMMMGPOBSA-N 1 0 313.329 1.527 20 5 DDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cncc(C(N)=O)c1 ZINC001173229147 777062278 /nfs/dbraw/zinc/06/22/78/777062278.db2.gz LQSJDCGERLYUNM-NSHDSACASA-N 1 0 314.345 1.810 20 5 DDBDRO O=C(NCCCCCC[NH2+]C/C=C\Cl)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001178450196 779034501 /nfs/dbraw/zinc/03/45/01/779034501.db2.gz XBOKYXLXZLHLPF-GKKDLHFNSA-N 1 0 303.790 1.670 20 5 DDBDRO Cc1cncc([N+](=O)[O-])c1N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC001117290506 780707295 /nfs/dbraw/zinc/70/72/95/780707295.db2.gz YYKQXDFZZJGGIN-TZMCWYRMSA-N 1 0 306.366 1.334 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)c1 ZINC001118089625 781022974 /nfs/dbraw/zinc/02/29/74/781022974.db2.gz XJUZIJDTALCUGC-NGFQHRJXSA-N 1 0 308.334 1.244 20 5 DDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC001118201555 781059966 /nfs/dbraw/zinc/05/99/66/781059966.db2.gz KOEFRJPMBLCCBX-LLVKDONJSA-N 1 0 306.366 1.899 20 5 DDBDRO C[N@H+](CCNC(=O)Cn1cccn1)Cc1ccc([N+](=O)[O-])cc1 ZINC001266255380 835994490 /nfs/dbraw/zinc/99/44/90/835994490.db2.gz PUVORCGEQQCFDQ-UHFFFAOYSA-N 1 0 317.349 1.040 20 5 DDBDRO CCc1nc[nH]c1C(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001149447797 861622911 /nfs/dbraw/zinc/62/29/11/861622911.db2.gz NIBBMJZQHLSFLH-UHFFFAOYSA-N 1 0 323.378 1.461 20 5 DDBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc(=O)[nH]c1 ZINC001149747276 861873536 /nfs/dbraw/zinc/87/35/36/861873536.db2.gz GRQDHSQFMCMAAT-UHFFFAOYSA-N 1 0 316.317 1.215 20 5 DDBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N[C@H]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC001155586041 862257779 /nfs/dbraw/zinc/25/77/79/862257779.db2.gz JDWPFIJONWEXJJ-ICCXJUOJSA-N 1 0 320.349 1.576 20 5 DDBDRO Cc1ncc([N+](=O)[O-])c(NC[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)n1 ZINC001155597073 862275828 /nfs/dbraw/zinc/27/58/28/862275828.db2.gz LAWPVQYABHKSAP-RISCZKNCSA-N 1 0 307.354 1.264 20 5 DDBDRO Cc1nc(N[C@H]2CCCC[C@@]23C[NH2+]CCO3)ncc1[N+](=O)[O-] ZINC001155833871 862485779 /nfs/dbraw/zinc/48/57/79/862485779.db2.gz SEAICWGRAKIGIV-GXTWGEPZSA-N 1 0 307.354 1.406 20 5 DDBDRO [NH3+]CCN(CCO)c1cc2ccc(Cl)nc2cc1[N+](=O)[O-] ZINC001155953814 862590243 /nfs/dbraw/zinc/59/02/43/862590243.db2.gz PDSZLSLNUGNKCL-UHFFFAOYSA-N 1 0 310.741 1.554 20 5 DDBDRO CC(C)(C)[NH+]1CCN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001327954069 862590983 /nfs/dbraw/zinc/59/09/83/862590983.db2.gz QOSQOGMNXNPCKB-AWEZNQCLSA-N 1 0 321.377 1.571 20 5 DDBDRO COc1ncnc(N2CC[NH2+]C[C@H]2c2cccs2)c1[N+](=O)[O-] ZINC001156097266 862719959 /nfs/dbraw/zinc/71/99/59/862719959.db2.gz GMPIUEVLFMPPSR-VIFPVBQESA-N 1 0 321.362 1.606 20 5 DDBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CC[NH2+]C[C@H]1c1cccs1 ZINC001156110878 862727964 /nfs/dbraw/zinc/72/79/64/862727964.db2.gz LTDMVLDIGKLLBW-LBPRGKRZSA-N 1 0 320.374 1.749 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCCNC(=O)C1=CCCC1 ZINC001156524366 863119297 /nfs/dbraw/zinc/11/92/97/863119297.db2.gz ZYVGIROWZBICMW-UHFFFAOYSA-N 1 0 307.354 1.035 20 5 DDBDRO CCN(C(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)[C@H]1CC[NH2+]C1 ZINC001122215485 858716915 /nfs/dbraw/zinc/71/69/15/858716915.db2.gz XRIFBTROCVPBQT-RRFJBIMHSA-N 1 0 303.362 1.909 20 5 DDBDRO CCCSCC(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001124196731 859624149 /nfs/dbraw/zinc/62/41/49/859624149.db2.gz ATGCAZJFDGCGIK-UHFFFAOYSA-N 1 0 311.407 1.944 20 5 DDBDRO Cc1ncc(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)s1 ZINC001124513990 859726633 /nfs/dbraw/zinc/72/66/33/859726633.db2.gz DZYREIDDTYFVAM-UHFFFAOYSA-N 1 0 320.374 1.879 20 5 DDBDRO Cc1cncc([N+](=O)[O-])c1NC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC001203067138 860699476 /nfs/dbraw/zinc/69/94/76/860699476.db2.gz GTADFWIDBCUPKB-NSHDSACASA-N 1 0 321.381 1.714 20 5 DDBDRO O=C(CC[N@@H+]1CC[C@H](F)C1)NCCc1ccc([N+](=O)[O-])cc1 ZINC001142082213 861015360 /nfs/dbraw/zinc/01/53/60/861015360.db2.gz BIRIVIFRWIMOSM-ZDUSSCGKSA-N 1 0 309.341 1.687 20 5 DDBDRO COc1nc(N2CCCC[C@@]23CCC[NH2+]C3)ncc1[N+](=O)[O-] ZINC001157467558 863842995 /nfs/dbraw/zinc/84/29/95/863842995.db2.gz GABSHRXIDVRQOX-AWEZNQCLSA-N 1 0 307.354 1.506 20 5 DDBDRO CCC[NH+]1C[C@H]2CN(c3cc(OC)c([N+](=O)[O-])cn3)C[C@@H]2C1 ZINC001157691383 864053384 /nfs/dbraw/zinc/05/33/84/864053384.db2.gz PGXJEHMEKQSLBI-RYUDHWBXSA-N 1 0 306.366 1.776 20 5 DDBDRO COc1nc(N2C[C@H](CC[NH3+])c3ccccc32)ncc1[N+](=O)[O-] ZINC001157739274 864090211 /nfs/dbraw/zinc/09/02/11/864090211.db2.gz IKYIYDVHHYIPMR-JTQLQIEISA-N 1 0 315.333 1.978 20 5 DDBDRO Cc1ncn(-c2ccc([N+](=O)[O-])c(N)n2)c1CSCC[NH3+] ZINC001157962878 864310503 /nfs/dbraw/zinc/31/05/03/864310503.db2.gz CRDCKUSYLDICAU-UHFFFAOYSA-N 1 0 308.367 1.258 20 5 DDBDRO CSC[C@H](CCO)[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC001330607979 864484466 /nfs/dbraw/zinc/48/44/66/864484466.db2.gz KQYBNMXODZGGOW-WHXUTIOJSA-N 1 0 300.384 1.198 20 5 DDBDRO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N)CC[N@@H+](C2CC2)C1 ZINC001330658556 864515834 /nfs/dbraw/zinc/51/58/34/864515834.db2.gz DKZOSLDVXNCRPZ-LLVKDONJSA-N 1 0 318.377 1.733 20 5 DDBDRO CCN(C(=O)COc1ccc([N+](=O)[O-])c(OC)c1)[C@@H]1CC[NH2+]C1 ZINC001330999747 864765082 /nfs/dbraw/zinc/76/50/82/864765082.db2.gz JUQQKNSVDKJCHD-LLVKDONJSA-N 1 0 323.349 1.193 20 5 DDBDRO C[N@H+](C1CN(c2cc([N+](=O)[O-])c3cc[nH]c3n2)C1)[C@H]1CCOC1 ZINC001158736388 864872693 /nfs/dbraw/zinc/87/26/93/864872693.db2.gz LILPKJVGWRYNDC-JTQLQIEISA-N 1 0 317.349 1.380 20 5 DDBDRO [NH3+][C@@H]1CN(c2ccc3ccc([N+](=O)[O-])cc3n2)CC12COC2 ZINC001158761616 864885523 /nfs/dbraw/zinc/88/55/23/864885523.db2.gz DLHAAVUKKWEXDX-CYBMUJFWSA-N 1 0 300.318 1.307 20 5 DDBDRO CC(C)[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001159150962 865132874 /nfs/dbraw/zinc/13/28/74/865132874.db2.gz NBZVOABODBKXLB-RYUDHWBXSA-N 1 0 321.381 1.653 20 5 DDBDRO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1ncc([N+](=O)[O-])c(C)c1C ZINC001159754960 865505784 /nfs/dbraw/zinc/50/57/84/865505784.db2.gz DGEHZRPQUXXGAZ-GHMZBOCLSA-N 1 0 308.338 1.170 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cc(Cl)nc(Cl)c1 ZINC001225604728 881933150 /nfs/dbraw/zinc/93/31/50/881933150.db2.gz OQKDCHXXACNCIW-MRVPVSSYSA-N 1 0 308.185 1.751 20 5 DDBDRO COCCC1(CNc2cc([N+](=O)[O-])cc[n+]2[O-])CC[NH2+]CC1 ZINC001161497518 866714407 /nfs/dbraw/zinc/71/44/07/866714407.db2.gz UTMASLZLWRVIAB-UHFFFAOYSA-N 1 0 310.354 1.046 20 5 DDBDRO O=[N+]([O-])c1ccn(Cc2nc([C@H]3C[NH+]4CCC3CC4)no2)n1 ZINC001320496908 866777963 /nfs/dbraw/zinc/77/79/63/866777963.db2.gz TTZSRSGFQDRCOS-JTQLQIEISA-N 1 0 304.310 1.032 20 5 DDBDRO CCOc1nc(-n2c(C[NH3+])ccc2C(=O)OC)ccc1[N+](=O)[O-] ZINC001161939245 867118805 /nfs/dbraw/zinc/11/88/05/867118805.db2.gz FPORYQJAACXQTB-UHFFFAOYSA-N 1 0 320.305 1.425 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001334111555 867304102 /nfs/dbraw/zinc/30/41/02/867304102.db2.gz VQFUAHYIAXTKMY-NWDGAFQWSA-N 1 0 323.397 1.336 20 5 DDBDRO COC(=O)[C@H]1CCC[C@H]1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC001321386532 867549079 /nfs/dbraw/zinc/54/90/79/867549079.db2.gz RCDPRQMTSXEUBM-NWDGAFQWSA-N 1 0 308.334 1.905 20 5 DDBDRO COC(=O)[C@H]1CCC[C@@H]1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC001321386533 867549707 /nfs/dbraw/zinc/54/97/07/867549707.db2.gz RCDPRQMTSXEUBM-RYUDHWBXSA-N 1 0 308.334 1.905 20 5 DDBDRO CC(C)Oc1nc(N[C@@H]2C=C[C@H]3C[NH2+]C[C@H]32)ccc1[N+](=O)[O-] ZINC001162803936 867837260 /nfs/dbraw/zinc/83/72/60/867837260.db2.gz XVGPXXKKDRCJNS-QJPTWQEYSA-N 1 0 304.350 1.963 20 5 DDBDRO O=[N+]([O-])c1cccc2c(NC[C@@H]3CO[C@@H]4C[NH2+]C[C@H]34)ccnc21 ZINC001163108131 868106093 /nfs/dbraw/zinc/10/60/93/868106093.db2.gz LDUFSVTUSDQPSI-IXPVHAAZSA-N 1 0 314.345 1.789 20 5 DDBDRO COc1c(F)cc(NC[C@]23C[NH2+]C[C@H]2COC3)cc1[N+](=O)[O-] ZINC001163153796 868165397 /nfs/dbraw/zinc/16/53/97/868165397.db2.gz JWKFAUYUASTAFE-XPTSAGLGSA-N 1 0 311.313 1.390 20 5 DDBDRO COc1cc2ncnc(NCC3([NH3+])CCC3)c2cc1[N+](=O)[O-] ZINC001163320832 868347437 /nfs/dbraw/zinc/34/74/37/868347437.db2.gz CVAMREPOIYZYEN-UHFFFAOYSA-N 1 0 303.322 1.840 20 5 DDBDRO C[C@@H](NC(=O)NC[C@H]1CCC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC001335584272 868400210 /nfs/dbraw/zinc/40/02/10/868400210.db2.gz MPZOSDNIVVWPKM-NEPJUHHUSA-N 1 0 306.366 1.955 20 5 DDBDRO Cc1n[nH]c(C(=O)N2CCC3(CC2)CC[NH+](C)CC3)c1[N+](=O)[O-] ZINC001335769868 868526267 /nfs/dbraw/zinc/52/62/67/868526267.db2.gz DCKBRZYMSPQXKW-UHFFFAOYSA-N 1 0 321.381 1.574 20 5 DDBDRO Cc1cocc1C(=O)NCCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001164098321 868940886 /nfs/dbraw/zinc/94/08/86/868940886.db2.gz VXHBMYXCYVAFBT-UHFFFAOYSA-N 1 0 321.337 1.139 20 5 DDBDRO Nc1cc(N2CCC[C@H]([NH+]3CCOCC3)CC2)ncc1[N+](=O)[O-] ZINC001336667040 869082626 /nfs/dbraw/zinc/08/26/26/869082626.db2.gz YZWOYADKZKWIBN-LBPRGKRZSA-N 1 0 321.381 1.263 20 5 DDBDRO CCOC(=O)c1ccnc(N2C[C@H](C[NH3+])CC[C@H]2C)c1[N+](=O)[O-] ZINC001164474283 869218959 /nfs/dbraw/zinc/21/89/59/869218959.db2.gz OWCYFJSXUZPYLP-MNOVXSKESA-N 1 0 322.365 1.730 20 5 DDBDRO Cc1ncc([N+](=O)[O-])c(N2CC[NH2+][C@@H](Cc3ccccc3)C2)n1 ZINC001164608149 869324456 /nfs/dbraw/zinc/32/44/56/869324456.db2.gz OQZZXSQGEQBKGH-AWEZNQCLSA-N 1 0 313.361 1.714 20 5 DDBDRO CCOc1nc(N2CC([N@H+](C)[C@@H]3CCOC3)C2)ccc1[N+](=O)[O-] ZINC001165205166 869429363 /nfs/dbraw/zinc/42/93/63/869429363.db2.gz DEPJQLUSCRCXQX-LLVKDONJSA-N 1 0 322.365 1.298 20 5 DDBDRO O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001165238806 869459204 /nfs/dbraw/zinc/45/92/04/869459204.db2.gz IBAXSAIWLUQBOG-ZDUSSCGKSA-N 1 0 312.757 1.462 20 5 DDBDRO [NH3+]C1([C@H]2CN(c3cc([N+](=O)[O-])c4cc[nH]c4n3)C[C@H]2CF)CC1 ZINC001165434729 869597309 /nfs/dbraw/zinc/59/73/09/869597309.db2.gz SAUMGWPVKMIKOQ-KOLCDFICSA-N 1 0 319.340 1.984 20 5 DDBDRO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N[C@@H]1C[NH+]2CCC1CC2 ZINC001338157357 869840392 /nfs/dbraw/zinc/84/03/92/869840392.db2.gz BGWFCENHEFOICI-MRVPVSSYSA-N 1 0 319.287 1.853 20 5 DDBDRO COC(=O)[C@@H]1C[C@@H]([NH3+])CN1c1ccc2cccc([N+](=O)[O-])c2n1 ZINC001166963042 870427718 /nfs/dbraw/zinc/42/77/18/870427718.db2.gz GDPARUHKVSOUOH-PWSUYJOCSA-N 1 0 316.317 1.222 20 5 DDBDRO CC[NH+]1CCN(c2nnc(-c3csc([N+](=O)[O-])c3)n2C)CC1 ZINC001339413216 870485669 /nfs/dbraw/zinc/48/56/69/870485669.db2.gz LVWUCNWEXQUZCB-UHFFFAOYSA-N 1 0 322.394 1.594 20 5 DDBDRO Cc1c(C[NH2+]CC(C)(C)CS(N)(=O)=O)cccc1[N+](=O)[O-] ZINC001203390021 870547353 /nfs/dbraw/zinc/54/73/53/870547353.db2.gz QBAZVNPRWLVERJ-UHFFFAOYSA-N 1 0 315.395 1.308 20 5 DDBDRO Cn1c(C[N+](=O)[O-])nnc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC001339553462 870552422 /nfs/dbraw/zinc/55/24/22/870552422.db2.gz OKRCWAWNDRWBSE-WCQYABFASA-N 1 0 320.397 1.045 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@H]2CCCC[N@@H+](C)C2)n1 ZINC001300873788 870965141 /nfs/dbraw/zinc/96/51/41/870965141.db2.gz NCZBGSBASOPRTO-GFCCVEGCSA-N 1 0 306.366 1.760 20 5 DDBDRO COC[C@@]1(C(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)CC[NH2+]C1 ZINC001341110876 871508475 /nfs/dbraw/zinc/50/84/75/871508475.db2.gz ZORYIXBBUSLJQP-IAQYHMDHSA-N 1 0 307.350 1.398 20 5 DDBDRO C[C@@H](CNC(=O)[C@@]1(C)C[NH2+]CCO1)c1ccccc1[N+](=O)[O-] ZINC001341318400 871605964 /nfs/dbraw/zinc/60/59/64/871605964.db2.gz PAIGBYMEXKZDDL-XHDPSFHLSA-N 1 0 307.350 1.193 20 5 DDBDRO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)NCc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC001341343883 871614945 /nfs/dbraw/zinc/61/49/45/871614945.db2.gz JFYXXXOYBVLAAJ-CFVMTHIKSA-N 1 0 318.377 1.734 20 5 DDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+](CCOC)C1 ZINC001318598010 872162178 /nfs/dbraw/zinc/16/21/78/872162178.db2.gz AUEOLIXDWKGMKM-LLVKDONJSA-N 1 0 322.365 1.087 20 5 DDBDRO [NH3+]C[C@@H]1CC2(CO1)CCN(C(=O)c1cccc([N+](=O)[O-])c1)CC2 ZINC001342614984 872293843 /nfs/dbraw/zinc/29/38/43/872293843.db2.gz LJUSLSNGKUUGRA-AWEZNQCLSA-N 1 0 319.361 1.565 20 5 DDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC1CC[NH2+]CC1 ZINC001343567582 872673966 /nfs/dbraw/zinc/67/39/66/872673966.db2.gz APNMNDUVAZFUNL-UHFFFAOYSA-N 1 0 306.366 1.708 20 5 DDBDRO CN(CC(=O)N1CC[C@@H](CC[NH3+])C1)c1ccccc1[N+](=O)[O-] ZINC001344999205 873214628 /nfs/dbraw/zinc/21/46/28/873214628.db2.gz NMRSSRDOMOJPIY-GFCCVEGCSA-N 1 0 306.366 1.228 20 5 DDBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1C[C@H](CO)C1 ZINC001207638244 873431036 /nfs/dbraw/zinc/43/10/36/873431036.db2.gz BYGRVTXPWPVYPC-NQBHXWOUSA-N 1 0 307.350 1.672 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CCC1CCOCC1 ZINC001345634573 873460615 /nfs/dbraw/zinc/46/06/15/873460615.db2.gz JEFDMKNTAMLUNY-CQSZACIVSA-N 1 0 324.377 1.741 20 5 DDBDRO C[C@@H](CNC(=O)N1CCC[NH2+]CC1)c1ccccc1[N+](=O)[O-] ZINC001346674572 873845027 /nfs/dbraw/zinc/84/50/27/873845027.db2.gz CTTBXKPGDKELGN-LBPRGKRZSA-N 1 0 306.366 1.703 20 5 DDBDRO CC[N@@H+]1CC[C@@H](Oc2[nH]c(=O)nc3ccc([N+](=O)[O-])cc32)C1 ZINC001227094967 882827521 /nfs/dbraw/zinc/82/75/21/882827521.db2.gz GQSNKWOYKRIGEO-SNVBAGLBSA-N 1 0 304.306 1.717 20 5 DDBDRO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CNc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC001348747744 874758498 /nfs/dbraw/zinc/75/84/98/874758498.db2.gz PBKDVQJZQYUTPO-AVGNSLFASA-N 1 0 318.377 1.463 20 5 DDBDRO C[NH2+]C[C@@H](C)CNC(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC001351279382 876161580 /nfs/dbraw/zinc/16/15/80/876161580.db2.gz NQZYHGHPSPJQPF-SECBINFHSA-N 1 0 317.292 1.538 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1C2CCC1(CO)CC2 ZINC001351632189 876358454 /nfs/dbraw/zinc/35/84/54/876358454.db2.gz KPCHCXNJWGZCSH-UYJPIKCFSA-N 1 0 322.361 1.324 20 5 DDBDRO Cc1ccc(Cl)cc1C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001353241431 877206897 /nfs/dbraw/zinc/20/68/97/877206897.db2.gz RHKCQJGYQJVMEM-AWEZNQCLSA-N 1 0 324.768 1.904 20 5 DDBDRO COC[C@]1(C(=O)NC[C@H](C)c2ccccc2[N+](=O)[O-])CC[NH2+]C1 ZINC001355315465 878496192 /nfs/dbraw/zinc/49/61/92/878496192.db2.gz GJMQPNBQCIOIJC-LRDDRELGSA-N 1 0 321.377 1.441 20 5 DDBDRO Cc1c(CC(=O)N2CCC[C@@]23CC[NH2+]C3)cccc1[N+](=O)[O-] ZINC001355610723 878646145 /nfs/dbraw/zinc/64/61/45/878646145.db2.gz BONVNVGLQKEADY-INIZCTEOSA-N 1 0 303.362 1.800 20 5 DDBDRO C[NH+](C)C[C@H](O)CNc1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001356499487 879081633 /nfs/dbraw/zinc/08/16/33/879081633.db2.gz RGWMGQQPFNKZNF-SECBINFHSA-N 1 0 307.272 1.948 20 5 DDBDRO O=C(CNc1ccccc1[N+](=O)[O-])NCC[C@@H]1CSCC[NH2+]1 ZINC001357660341 880122422 /nfs/dbraw/zinc/12/24/22/880122422.db2.gz OBBCICRUYWCVOV-LLVKDONJSA-N 1 0 324.406 1.218 20 5 DDBDRO C[C@H](CNC(=O)C[C@H]1CSCC[NH2+]1)c1ccccc1[N+](=O)[O-] ZINC001358388259 880417809 /nfs/dbraw/zinc/41/78/09/880417809.db2.gz JDTYKPKMAKGJDE-NEPJUHHUSA-N 1 0 323.418 1.910 20 5 DDBDRO COCC[NH+]1CCC(Oc2nc3c[nH]cc([N+](=O)[O-])c-3n2)CC1 ZINC001230230698 884382184 /nfs/dbraw/zinc/38/21/84/884382184.db2.gz ZWZQSPNEPMPFNR-UHFFFAOYSA-N 1 0 321.337 1.356 20 5 DDBDRO CO[C@@H]1CC[N@H+](CCOc2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC001231056030 885167635 /nfs/dbraw/zinc/16/76/35/885167635.db2.gz OVKSCHIPUSRUCO-LLVKDONJSA-N 1 0 318.333 1.638 20 5 DDBDRO O[C@H]1COCC[N@H+](Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001232218733 886166349 /nfs/dbraw/zinc/16/63/49/886166349.db2.gz LCVIJHJRZGHYCO-MRXNPFEDSA-N 1 0 309.369 1.976 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1nnc(-c2ccccc2F)o1 ZINC001234666296 888174927 /nfs/dbraw/zinc/17/49/27/888174927.db2.gz SENFRQWUZQRYKV-SNVBAGLBSA-N 1 0 324.332 1.238 20 5 DDBDRO CC[N@@H+]1CC[C@@H](Oc2nc(NC(C)=O)nc(C)c2[N+](=O)[O-])C1 ZINC001234907427 888242670 /nfs/dbraw/zinc/24/26/70/888242670.db2.gz AZSPVCCSEKPBKK-SNVBAGLBSA-N 1 0 309.326 1.125 20 5 DDBDRO O=C1CCNC[C@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001246294006 892521455 /nfs/dbraw/zinc/52/14/55/892521455.db2.gz QLCZMPWJIRDCKF-OAHLLOKOSA-N 1 0 318.377 1.084 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N[C@H]2CC23C[NH2+]C3)c1F ZINC001246444825 892630255 /nfs/dbraw/zinc/63/02/55/892630255.db2.gz LWZCPPWOVNXYPA-ZANVPECISA-N 1 0 309.341 1.625 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCN[C@]2(CC[NH2+]C2)C1 ZINC001246638663 892760204 /nfs/dbraw/zinc/76/02/04/892760204.db2.gz BTVHVMQGCYQJDN-CJNGLKHVSA-N 1 0 304.394 1.163 20 5 DDBDRO COC(=O)[C@@H]1C[C@@H]([NH3+])CN1[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001246908081 892982544 /nfs/dbraw/zinc/98/25/44/892982544.db2.gz UIVRZUILZQLROZ-SUHUHFCYSA-N 1 0 307.350 1.100 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CCN(CCO)CC1 ZINC001254539549 896494561 /nfs/dbraw/zinc/49/45/61/896494561.db2.gz IMFXHWQCFLFZKP-CYBMUJFWSA-N 1 0 307.394 1.572 20 5 DDBDRO O=C1CCCCN1CC[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254568949 896505285 /nfs/dbraw/zinc/50/52/85/896505285.db2.gz WZIUZBBFOHNGEV-AWEZNQCLSA-N 1 0 303.362 1.664 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]C1CN(c3ncccn3)C1)C2 ZINC001254578090 896510591 /nfs/dbraw/zinc/51/05/91/896510591.db2.gz JCMZPEVPFHHIGA-CYBMUJFWSA-N 1 0 311.345 1.330 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+][C@@H]1COCCC13OCCO3)C2 ZINC001254576186 896510962 /nfs/dbraw/zinc/51/09/62/896510962.db2.gz VBMAOHJQUJCVLB-DZGCQCFKSA-N 1 0 320.345 1.184 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]C1CCN(CCO)CC1)C2 ZINC001254576315 896511070 /nfs/dbraw/zinc/51/10/70/896511070.db2.gz VNCZGPWLZUZZEQ-HNNXBMFYSA-N 1 0 305.378 1.108 20 5 DDBDRO COC(=O)[C@@H](CCCC[NH3+])N[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254576894 896511494 /nfs/dbraw/zinc/51/14/94/896511494.db2.gz APCOTOQXFZVYHD-DZGCQCFKSA-N 1 0 321.377 1.322 20 5 DDBDRO C[C@]1(CO)CC[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C[C@@H]1O ZINC001254592069 896520373 /nfs/dbraw/zinc/52/03/73/896520373.db2.gz ABVXNTGSQXHNHO-OWCLPIDISA-N 1 0 306.362 1.127 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CCO[C@]3(CCOC3)C1)C2 ZINC001254593218 896521973 /nfs/dbraw/zinc/52/19/73/896521973.db2.gz KAUNHDMLNPFOCF-HZPDHXFCSA-N 1 0 304.346 1.553 20 5 DDBDRO CC(=O)N[C@H]1CCC[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254600388 896524260 /nfs/dbraw/zinc/52/42/60/896524260.db2.gz PNCYLLMBLZESCU-GOEBONIOSA-N 1 0 303.362 1.663 20 5 DDBDRO COCc1nn([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)c2c1C[NH2+]C2 ZINC001254597492 896524606 /nfs/dbraw/zinc/52/46/06/896524606.db2.gz SNTMLDBCJNOZOR-ZDUSSCGKSA-N 1 0 314.345 1.881 20 5 DDBDRO CCOC(=O)[C@@H]1CC[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254605011 896527776 /nfs/dbraw/zinc/52/77/76/896527776.db2.gz ZTGIHZHPVJIJNU-DOMZBBRYSA-N 1 0 304.346 1.947 20 5 DDBDRO COC(=O)[C@]1(C)CC[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254612473 896533077 /nfs/dbraw/zinc/53/30/77/896533077.db2.gz WTGHAYFTYDWFBV-GOEBONIOSA-N 1 0 304.346 1.947 20 5 DDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001261886983 899807239 /nfs/dbraw/zinc/80/72/39/899807239.db2.gz UYRRZHIGQQBBFT-ZSBIGDGJSA-N 1 0 318.377 1.897 20 5 DDBDRO C[C@H](C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)Cn1ccnc1 ZINC001262562556 900246421 /nfs/dbraw/zinc/24/64/21/900246421.db2.gz DZFCCXBRPPIPQB-DOMZBBRYSA-N 1 0 304.350 1.751 20 5 DDBDRO CCO[C@H]1C[C@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC001262571925 900254842 /nfs/dbraw/zinc/25/48/42/900254842.db2.gz GXYFCBRJDLYIJW-AVGNSLFASA-N 1 0 310.350 1.492 20 5 DDBDRO C[NH2+][C@H](C)CCNC(=O)NC[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001262584844 900262005 /nfs/dbraw/zinc/26/20/05/900262005.db2.gz MOGNXYNRNTZHFU-VXGBXAGGSA-N 1 0 308.382 1.996 20 5 DDBDRO COc1cc(C(=O)N[C@@H]2CC[C@H]3C[N@H+](C)C[C@H]32)ccc1[N+](=O)[O-] ZINC001262826286 900388039 /nfs/dbraw/zinc/38/80/39/900388039.db2.gz GXWCKKDOLBDUGO-YNEHKIRRSA-N 1 0 319.361 1.673 20 5 DDBDRO [NH3+]C[C@]12CC[C@H]1CCCN2C(=O)COc1ccccc1[N+](=O)[O-] ZINC001263237918 900544141 /nfs/dbraw/zinc/54/41/41/900544141.db2.gz WROJBZQSVMHMFD-MLGOLLRUSA-N 1 0 319.361 1.704 20 5 DDBDRO CC(=O)NCCN1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001279416395 903256040 /nfs/dbraw/zinc/25/60/40/903256040.db2.gz RGBRQZROIDYTMV-UHFFFAOYSA-N 1 0 320.393 1.285 20 5 DDBDRO O=[N+]([O-])c1ccc2[nH]c(NCC[N@@H+]3CCCOCC3)nc2c1 ZINC000278367686 214121043 /nfs/dbraw/zinc/12/10/43/214121043.db2.gz DIFVSNWOYNYWBV-UHFFFAOYSA-N 1 0 305.338 1.605 20 5 DDBDRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000449639818 230624323 /nfs/dbraw/zinc/62/43/23/230624323.db2.gz QSNGBXKVJQXZCY-VXGBXAGGSA-N 1 0 307.350 1.607 20 5 DDBDRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2c([N+](=O)[O-])cnn2C)C1 ZINC000162232199 197554298 /nfs/dbraw/zinc/55/42/98/197554298.db2.gz BNPDGSHLSLYNMD-RYUDHWBXSA-N 1 0 323.397 1.426 20 5 DDBDRO O=C(c1n[nH]cc1[N+](=O)[O-])N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000162700807 197585936 /nfs/dbraw/zinc/58/59/36/197585936.db2.gz ORYIOKWGZFNDKM-NSHDSACASA-N 1 0 307.354 1.408 20 5 DDBDRO COC[C@@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000251520167 282201934 /nfs/dbraw/zinc/20/19/34/282201934.db2.gz CQHZVXHKBKFNJB-WFASDCNBSA-N 1 0 310.350 1.709 20 5 DDBDRO Cc1c(CN2CC[N@H+](CCO)C(C)(C)C2)cccc1[N+](=O)[O-] ZINC000614920171 362076288 /nfs/dbraw/zinc/07/62/88/362076288.db2.gz GCCUDSHELJBJGY-UHFFFAOYSA-N 1 0 307.394 1.792 20 5 DDBDRO CC[NH+](CC)[C@H]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090551227 185302561 /nfs/dbraw/zinc/30/25/61/185302561.db2.gz VNVVWQIPNGLTGM-ZDUSSCGKSA-N 1 0 308.382 1.173 20 5 DDBDRO CCOc1ccc([C@@H](C)[NH2+]CC2(CO)COC2)cc1[N+](=O)[O-] ZINC000090642740 185307715 /nfs/dbraw/zinc/30/77/15/185307715.db2.gz WGJDQZSVWUIQGJ-LLVKDONJSA-N 1 0 310.350 1.653 20 5 DDBDRO [NH3+]C1CCN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000092713825 185335767 /nfs/dbraw/zinc/33/57/67/185335767.db2.gz VGCXYBXWPRHGCH-UHFFFAOYSA-N 1 0 312.757 1.610 20 5 DDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@H]([NH+]2CCCC2)C1 ZINC000301141816 529932797 /nfs/dbraw/zinc/93/27/97/529932797.db2.gz GJEZGCXXQDFVSN-ZDUSSCGKSA-N 1 0 318.377 1.629 20 5 DDBDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000272247694 282317730 /nfs/dbraw/zinc/31/77/30/282317730.db2.gz LKKBCTJKLYNXNV-KOLCDFICSA-N 1 0 311.769 1.986 20 5 DDBDRO O=C(CC[N@H+]1CCC[C@H]1CO)Nc1cc([N+](=O)[O-])ccc1F ZINC000181684917 199338476 /nfs/dbraw/zinc/33/84/76/199338476.db2.gz FPJCAMSMRUYDNP-NSHDSACASA-N 1 0 311.313 1.519 20 5 DDBDRO C[NH2+][C@@H]1CCCN(C(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)C1 ZINC000422766666 530044970 /nfs/dbraw/zinc/04/49/70/530044970.db2.gz MDTQGYMLRRAVOP-GFCCVEGCSA-N 1 0 307.350 1.736 20 5 DDBDRO C[N@@H+]1CCC[C@@H](CCNc2ncc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000413435750 530055092 /nfs/dbraw/zinc/05/50/92/530055092.db2.gz HUUDEMWASVCBMM-JTQLQIEISA-N 1 0 307.354 1.233 20 5 DDBDRO C[N@@H+]1CCC[C@H](CCNC(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000458192870 530060370 /nfs/dbraw/zinc/06/03/70/530060370.db2.gz PHSZNIRWQYUYOC-CYBMUJFWSA-N 1 0 305.378 1.985 20 5 DDBDRO Nc1c(C(=O)NCCC[NH+]2CCCC2)cc(F)cc1[N+](=O)[O-] ZINC000063667002 190698835 /nfs/dbraw/zinc/69/88/35/190698835.db2.gz XCCUHPLNGWBUOR-UHFFFAOYSA-N 1 0 310.329 1.532 20 5 DDBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]C[C@H]1CC[C@H](O)C1)OCCO2 ZINC000616094547 362544845 /nfs/dbraw/zinc/54/48/45/362544845.db2.gz BWNUZOMQSAATPO-JQWIXIFHSA-N 1 0 308.334 1.617 20 5 DDBDRO O=C(CC[N@H+]1CC[C@H](CO)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000181714357 199342603 /nfs/dbraw/zinc/34/26/03/199342603.db2.gz UZOPDBGNQQNURZ-JTQLQIEISA-N 1 0 311.313 1.377 20 5 DDBDRO C[C@@H]1C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CCS1 ZINC000181764148 199349377 /nfs/dbraw/zinc/34/93/77/199349377.db2.gz MRQHJUHRJATQIE-NEPJUHHUSA-N 1 0 312.391 1.772 20 5 DDBDRO COc1cc(C(=O)NCC[N@@H+]2CC[C@@H](C)C2)cc([N+](=O)[O-])c1C ZINC000616359383 362656859 /nfs/dbraw/zinc/65/68/59/362656859.db2.gz OZAAEVTVFLLYAU-LLVKDONJSA-N 1 0 321.377 1.983 20 5 DDBDRO COC(=O)CNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181820449 199356865 /nfs/dbraw/zinc/35/68/65/199356865.db2.gz OAROOISJPPVARA-WDEREUQCSA-N 1 0 323.349 1.232 20 5 DDBDRO CCOC[C@H]1CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000181943837 199367077 /nfs/dbraw/zinc/36/70/77/199367077.db2.gz ILUOZQZLESQXEL-KBPBESRZSA-N 1 0 324.377 1.693 20 5 DDBDRO C[C@@H](O)C[C@@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000279671848 215049065 /nfs/dbraw/zinc/04/90/65/215049065.db2.gz DLYXIGJOPYGWIV-OLZOCXBDSA-N 1 0 309.366 1.382 20 5 DDBDRO Cc1c(NC(=O)CC[N@@H+]2C[C@H](O)C(C)(C)C2)cccc1[N+](=O)[O-] ZINC000279881934 215202879 /nfs/dbraw/zinc/20/28/79/215202879.db2.gz UKMUDVIRCKRWFG-AWEZNQCLSA-N 1 0 321.377 1.935 20 5 DDBDRO C[NH2+]C[C@H]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C)C1 ZINC000071144316 190936754 /nfs/dbraw/zinc/93/67/54/190936754.db2.gz TVVCJMSYMGFKAX-LLVKDONJSA-N 1 0 313.379 1.133 20 5 DDBDRO Cc1noc(CCC[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)n1 ZINC000331374038 233215249 /nfs/dbraw/zinc/21/52/49/233215249.db2.gz AZMDQXBSXNNYSK-UHFFFAOYSA-N 1 0 320.353 1.752 20 5 DDBDRO C[C@@]1(O)CCC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000280018167 215315416 /nfs/dbraw/zinc/31/54/16/215315416.db2.gz KGJLCEAQBQMINA-XJKSGUPXSA-N 1 0 324.377 1.571 20 5 DDBDRO CC(C)(C)[C@H]([NH3+])C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000164279424 186154259 /nfs/dbraw/zinc/15/42/59/186154259.db2.gz LQRNSBFZAQFHES-CQSZACIVSA-N 1 0 320.393 1.617 20 5 DDBDRO C[C@@H](O)C1CC[NH+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000181869108 186212813 /nfs/dbraw/zinc/21/28/13/186212813.db2.gz NQFMQVSZCXLGJF-OCCSQVGLSA-N 1 0 324.377 1.427 20 5 DDBDRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000344012464 282759103 /nfs/dbraw/zinc/75/91/03/282759103.db2.gz TVNBXRNCPXCKDZ-ZDUSSCGKSA-N 1 0 316.361 1.826 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)C2CC[NH+](C)CC2)n1 ZINC000617405702 363091250 /nfs/dbraw/zinc/09/12/50/363091250.db2.gz TXJMNDGUDMSVCA-JTQLQIEISA-N 1 0 309.370 1.271 20 5 DDBDRO COCC[NH+]1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000011522726 352144540 /nfs/dbraw/zinc/14/45/40/352144540.db2.gz MFMNSYSOULIFCZ-UHFFFAOYSA-N 1 0 316.361 1.911 20 5 DDBDRO CC(=O)c1cc(N[C@H](C)CN2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000287238671 219398530 /nfs/dbraw/zinc/39/85/30/219398530.db2.gz JKLLWFZKQONOAA-GFCCVEGCSA-N 1 0 320.393 1.845 20 5 DDBDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000032267688 352276481 /nfs/dbraw/zinc/27/64/81/352276481.db2.gz GOQUXCYIENCYNE-LLVKDONJSA-N 1 0 311.338 1.274 20 5 DDBDRO C[C@@H]1C[NH+](CCCNC(=O)c2ccccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000036830945 352296569 /nfs/dbraw/zinc/29/65/69/352296569.db2.gz ZLLXNAPIDRQLBT-CHWSQXEVSA-N 1 0 321.377 1.824 20 5 DDBDRO C[C@@H](CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC000041597156 352309806 /nfs/dbraw/zinc/30/98/06/352309806.db2.gz ADYILTRCTQFMIG-NSHDSACASA-N 1 0 320.349 1.134 20 5 DDBDRO CC1CC[NH+](CCNC(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000046956645 352472297 /nfs/dbraw/zinc/47/22/97/352472297.db2.gz OMOADVRWRNJHMN-UHFFFAOYSA-N 1 0 321.377 1.822 20 5 DDBDRO COCC[N@H+](C)CCCNC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000173086626 198183617 /nfs/dbraw/zinc/18/36/17/198183617.db2.gz RJXTZXABRCHWMI-UHFFFAOYSA-N 1 0 309.366 1.601 20 5 DDBDRO C[C@H](CNC(=O)CCn1cc([N+](=O)[O-])cn1)[N@@H+]1CCC[C@@H](C)C1 ZINC000063810096 352925879 /nfs/dbraw/zinc/92/58/79/352925879.db2.gz HDUTYEPVCRTIJZ-CHWSQXEVSA-N 1 0 323.397 1.418 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000061634736 352891726 /nfs/dbraw/zinc/89/17/26/352891726.db2.gz BDEKFCRHYFKVGS-UHFFFAOYSA-N 1 0 317.349 1.914 20 5 DDBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@H]2CN2CCOCC2)c1 ZINC000174018238 198281054 /nfs/dbraw/zinc/28/10/54/198281054.db2.gz IVTKVJXYKVOFNZ-INIZCTEOSA-N 1 0 305.378 1.891 20 5 DDBDRO C[NH+](C)[C@@H](CNc1ncc([N+](=O)[O-])c(N)n1)c1cccc(F)c1 ZINC000076267192 353408930 /nfs/dbraw/zinc/40/89/30/353408930.db2.gz ZGVBEKSBSFIPJO-NSHDSACASA-N 1 0 320.328 1.821 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1CN1CCCC[C@@H]1C(=[NH2+])NO ZINC000370724490 307134179 /nfs/dbraw/zinc/13/41/79/307134179.db2.gz LKBWIAXHKKWSBI-GFCCVEGCSA-N 1 0 308.338 1.914 20 5 DDBDRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)[C@H]1C[C@@H]1[N+](=O)[O-] ZINC000093064734 353884021 /nfs/dbraw/zinc/88/40/21/353884021.db2.gz SUAKRCKROVPJES-KBPBESRZSA-N 1 0 304.350 1.079 20 5 DDBDRO C[C@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000093342410 353897113 /nfs/dbraw/zinc/89/71/13/353897113.db2.gz VJXIKCWAOIZXTL-FZMZJTMJSA-N 1 0 307.350 1.626 20 5 DDBDRO Cc1ccc(S(=O)(=O)NCC[N@@H+](C)C(C)C)c([N+](=O)[O-])c1 ZINC000155614999 354214438 /nfs/dbraw/zinc/21/44/38/354214438.db2.gz AOLILOUJYBPFND-UHFFFAOYSA-N 1 0 315.395 1.522 20 5 DDBDRO CCOC(=O)CC[C@@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000162081079 354245548 /nfs/dbraw/zinc/24/55/48/354245548.db2.gz DNAIMNFYFSZRNM-ZDUSSCGKSA-N 1 0 324.381 1.847 20 5 DDBDRO CN1CC[C@H]([N@H+](C)CCCOc2ccc([N+](=O)[O-])cc2)C1=O ZINC000265667624 354400985 /nfs/dbraw/zinc/40/09/85/354400985.db2.gz WBFYLAZXXKBNGD-AWEZNQCLSA-N 1 0 307.350 1.526 20 5 DDBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000407313192 354679647 /nfs/dbraw/zinc/67/96/47/354679647.db2.gz OKEBRJUTZMTFFW-LSDHHAIUSA-N 1 0 303.362 1.784 20 5 DDBDRO CN(C[C@H]1CCC[N@H+](C)C1)c1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000587979633 354888675 /nfs/dbraw/zinc/88/86/75/354888675.db2.gz WYNRRSIHCGUGMJ-NSHDSACASA-N 1 0 308.382 1.447 20 5 DDBDRO CC(C)[C@@H]1CN(c2cc(N)c([N+](=O)[O-])c(CO)c2)CC[N@@H+]1C ZINC000588032356 354896519 /nfs/dbraw/zinc/89/65/19/354896519.db2.gz WVWFPCXPAMNXHB-AWEZNQCLSA-N 1 0 308.382 1.446 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000588863021 354944537 /nfs/dbraw/zinc/94/45/37/354944537.db2.gz NYGMJSNDNLUBLN-KBPBESRZSA-N 1 0 319.361 1.184 20 5 DDBDRO COC[C@H]1CC[N@H+](Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C1 ZINC000589498396 354996916 /nfs/dbraw/zinc/99/69/16/354996916.db2.gz UQKZMVWBDWSYCG-NSHDSACASA-N 1 0 308.334 1.850 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)CCCCCO)c1 ZINC000589513057 354997791 /nfs/dbraw/zinc/99/77/91/354997791.db2.gz SSGQILCPZCCCCS-UHFFFAOYSA-N 1 0 310.350 1.976 20 5 DDBDRO CN(CC(=O)N[C@@H]1CCC[C@H]1[NH+](C)C)c1ccccc1[N+](=O)[O-] ZINC000590536931 355108673 /nfs/dbraw/zinc/10/86/73/355108673.db2.gz SXLBNRCURXBDPC-CHWSQXEVSA-N 1 0 320.393 1.630 20 5 DDBDRO C[N@@H+]1C[C@@H]2CCN(C(=O)CCNc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000590446552 355099248 /nfs/dbraw/zinc/09/92/48/355099248.db2.gz UJAAVCQKXDYSIK-SWLSCSKDSA-N 1 0 318.377 1.559 20 5 DDBDRO [NH3+][C@@H]1CCO[C@H]1C1CCN(c2ncc([N+](=O)[O-])cc2F)CC1 ZINC000591443690 355312869 /nfs/dbraw/zinc/31/28/69/355312869.db2.gz ALKIHCKDZSSGQH-OLZOCXBDSA-N 1 0 310.329 1.462 20 5 DDBDRO Cn1ccnc1[C@H](NCC[NH2+]C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000591577339 355329866 /nfs/dbraw/zinc/32/98/66/355329866.db2.gz SQZVQHDLNJMRPN-OAHLLOKOSA-N 1 0 315.377 1.759 20 5 DDBDRO CCc1cc(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])on1 ZINC000591742672 355375639 /nfs/dbraw/zinc/37/56/39/355375639.db2.gz UNGQITXABRKPNO-LBPRGKRZSA-N 1 0 321.333 1.675 20 5 DDBDRO Cc1cccc([C@H](C)C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000591742653 355375647 /nfs/dbraw/zinc/37/56/47/355375647.db2.gz NZMNJVXQNOOLIP-CZUORRHYSA-N 1 0 318.377 1.854 20 5 DDBDRO Cc1cc(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])[nH]n1 ZINC000591740952 355375740 /nfs/dbraw/zinc/37/57/40/355375740.db2.gz NMDMILVFAFLSIK-GFCCVEGCSA-N 1 0 306.322 1.156 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CCc2cscn2)c1 ZINC000591754408 355377924 /nfs/dbraw/zinc/37/79/24/355377924.db2.gz JNRBHFUVSXLZMJ-ZDUSSCGKSA-N 1 0 323.374 1.623 20 5 DDBDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000591682059 355361003 /nfs/dbraw/zinc/36/10/03/355361003.db2.gz SQPCHFWGONVZBX-WDEREUQCSA-N 1 0 314.345 1.952 20 5 DDBDRO Cn1c(C(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC000592253683 355547653 /nfs/dbraw/zinc/54/76/53/355547653.db2.gz KWOJTHZTBFZVFI-CHWSQXEVSA-N 1 0 320.393 1.785 20 5 DDBDRO CC(C)[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)C1(CO)CC=CC1 ZINC000592176396 355526415 /nfs/dbraw/zinc/52/64/15/355526415.db2.gz VNXLZRASKRUJFI-CQSZACIVSA-N 1 0 308.382 1.734 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CC1(CCO)CC1 ZINC000592432276 355581686 /nfs/dbraw/zinc/58/16/86/355581686.db2.gz ABNSVMUGICAYLX-LBPRGKRZSA-N 1 0 310.350 1.087 20 5 DDBDRO O=[N+]([O-])c1cc2c(cc1CN1C[C@H]3CCC[C@@H](C1)[NH2+]3)OCCO2 ZINC000592432829 355583147 /nfs/dbraw/zinc/58/31/47/355583147.db2.gz WRFXGQPBVQHMTC-BETUJISGSA-N 1 0 319.361 1.692 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[NH2+]CC1(C)C ZINC000592473571 355592571 /nfs/dbraw/zinc/59/25/71/355592571.db2.gz BMVAPKSESWFRCO-UHFFFAOYSA-N 1 0 306.366 1.526 20 5 DDBDRO COC(=O)[C@H]1C[C@@H](O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000592530715 355616216 /nfs/dbraw/zinc/61/62/16/355616216.db2.gz GILQIQUMOGUKBD-GXTWGEPZSA-N 1 0 308.334 1.259 20 5 DDBDRO C[C@@H]([NH3+])[C@H]1CCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000592428836 355580016 /nfs/dbraw/zinc/58/00/16/355580016.db2.gz ZJFIWVQHBZUGDD-MNOVXSKESA-N 1 0 307.350 1.535 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000592428635 355580062 /nfs/dbraw/zinc/58/00/62/355580062.db2.gz JQPOTQULWKLUMS-XHDPSFHLSA-N 1 0 309.366 1.542 20 5 DDBDRO C[C@@H]1[C@H](C(=O)N(C)CCc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000592798145 355696238 /nfs/dbraw/zinc/69/62/38/355696238.db2.gz QTGYIIOYPSCZLS-IUODEOHRSA-N 1 0 305.378 1.936 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@@]2(C)CO)c1 ZINC000593025314 355773370 /nfs/dbraw/zinc/77/33/70/355773370.db2.gz WRAKZXIPRSSUIV-HNNXBMFYSA-N 1 0 308.334 1.728 20 5 DDBDRO COC[C@H]1C[C@@H](O)C[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000593065777 355784554 /nfs/dbraw/zinc/78/45/54/355784554.db2.gz CDPHQUFCFPNGCX-VXGBXAGGSA-N 1 0 323.349 1.005 20 5 DDBDRO O=C(Cc1ccc(F)cc1[N+](=O)[O-])NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000593415035 355878484 /nfs/dbraw/zinc/87/84/84/355878484.db2.gz JZSPNLPBBMDRCD-LLVKDONJSA-N 1 0 321.352 1.877 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594199314 356137857 /nfs/dbraw/zinc/13/78/57/356137857.db2.gz JTELFQXANUVOET-QWHCGFSZSA-N 1 0 321.381 1.233 20 5 DDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000594433168 356210853 /nfs/dbraw/zinc/21/08/53/356210853.db2.gz LZFIKCIOGQQCLG-XJKSGUPXSA-N 1 0 303.362 1.643 20 5 DDBDRO O=C(NCCNc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000594425982 356207248 /nfs/dbraw/zinc/20/72/48/356207248.db2.gz NRVYPKBXYRVQHF-HOCLYGCPSA-N 1 0 318.377 1.513 20 5 DDBDRO COc1cc(C[NH2+][C@@H]2C[C@@H](O)C23CCC3)c([N+](=O)[O-])cc1O ZINC000594985858 356368064 /nfs/dbraw/zinc/36/80/64/356368064.db2.gz AYIMBLUQARFXTN-ZIAGYGMSSA-N 1 0 308.334 1.702 20 5 DDBDRO COc1cc(C[NH2+][C@H](C)C2(CO)CC2)c([N+](=O)[O-])cc1OC ZINC000594967376 356366061 /nfs/dbraw/zinc/36/60/61/356366061.db2.gz XSLRAHDHIVGNPA-SNVBAGLBSA-N 1 0 310.350 1.863 20 5 DDBDRO COc1ccc(NC(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000595231201 356413437 /nfs/dbraw/zinc/41/34/37/356413437.db2.gz NJHKGWDTJYKZSJ-NXEZZACHSA-N 1 0 312.301 1.506 20 5 DDBDRO C[N@@H+](CC1=CCCOC1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000595746966 356633710 /nfs/dbraw/zinc/63/37/10/356633710.db2.gz HKKRKBGSQHPHNN-CQSZACIVSA-N 1 0 322.361 1.613 20 5 DDBDRO C[C@H]([NH2+][C@@H]1C[C@H](O)C12CCC2)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000595783624 356650739 /nfs/dbraw/zinc/65/07/39/356650739.db2.gz SIQRHYQFYJEKIE-GDLCADMTSA-N 1 0 319.361 1.815 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2C[C@@H]3COC[C@@]3(C)C2)c1 ZINC000595761074 356641829 /nfs/dbraw/zinc/64/18/29/356641829.db2.gz WNUKVDSDRIPXAG-CZUORRHYSA-N 1 0 320.345 1.850 20 5 DDBDRO COc1ccc(OCC[N@@H+]2C[C@@H](C)[C@@](C)(CO)C2)c([N+](=O)[O-])c1 ZINC000595872664 356686939 /nfs/dbraw/zinc/68/69/39/356686939.db2.gz KLOYHUHEBMQXKW-MLGOLLRUSA-N 1 0 324.377 1.933 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000347432738 283213160 /nfs/dbraw/zinc/21/31/60/283213160.db2.gz PEWDFBAAETUNTN-GFCCVEGCSA-N 1 0 321.381 1.132 20 5 DDBDRO Cc1c(C[NH3+])c(NC(=O)Cc2ccccc2[N+](=O)[O-])nn1C ZINC000595961234 356725127 /nfs/dbraw/zinc/72/51/27/356725127.db2.gz JTQNQVLLZRZOGB-UHFFFAOYSA-N 1 0 303.322 1.277 20 5 DDBDRO Nc1ccc(N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)nc1[N+](=O)[O-] ZINC000596014441 356746557 /nfs/dbraw/zinc/74/65/57/356746557.db2.gz QAQANBHIWGNIAY-RYUDHWBXSA-N 1 0 305.382 1.788 20 5 DDBDRO CC(C)C[N@@H+]1CCO[C@@H](CNc2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC000596058044 356755995 /nfs/dbraw/zinc/75/59/95/356755995.db2.gz BICKTEPHYLVGCW-NSHDSACASA-N 1 0 310.354 1.464 20 5 DDBDRO CCCN1CC[C@@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000596064900 356758584 /nfs/dbraw/zinc/75/85/84/356758584.db2.gz CFRIQBDCNDIZED-CYBMUJFWSA-N 1 0 320.393 1.997 20 5 DDBDRO CC[N@H+](C)C[C@H]1CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596143854 356790149 /nfs/dbraw/zinc/79/01/49/356790149.db2.gz WJUBMDGLWLXDTA-LLVKDONJSA-N 1 0 306.366 1.472 20 5 DDBDRO CCC[C@H]1CN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000596176189 356802947 /nfs/dbraw/zinc/80/29/47/356802947.db2.gz AJURIZSYQMSJPE-LBPRGKRZSA-N 1 0 324.381 1.633 20 5 DDBDRO Nc1ccc(N2CCC[C@@H]([NH+]3CCOCC3)CC2)nc1[N+](=O)[O-] ZINC000596294515 356848105 /nfs/dbraw/zinc/84/81/05/356848105.db2.gz LNIOBUFHUFIMGN-GFCCVEGCSA-N 1 0 321.381 1.263 20 5 DDBDRO C[NH2+]C[C@@H](C)N[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000596654362 356942972 /nfs/dbraw/zinc/94/29/72/356942972.db2.gz JSRRNFNREMKFPZ-RISCZKNCSA-N 1 0 303.366 1.615 20 5 DDBDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000597859617 357361679 /nfs/dbraw/zinc/36/16/79/357361679.db2.gz WITWWHKSYVYJDB-SNVBAGLBSA-N 1 0 306.366 1.780 20 5 DDBDRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000597943360 357392967 /nfs/dbraw/zinc/39/29/67/357392967.db2.gz ZFKPBOAEIZQBHV-ZDUSSCGKSA-N 1 0 322.409 1.597 20 5 DDBDRO C[C@@H](CCNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[NH+](C)C ZINC000597999831 357415260 /nfs/dbraw/zinc/41/52/60/357415260.db2.gz SFYGGBYLWJESHZ-VIFPVBQESA-N 1 0 305.338 1.541 20 5 DDBDRO C[C@@H]([NH3+])CCNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000178657383 198905807 /nfs/dbraw/zinc/90/58/07/198905807.db2.gz DKEDZRXRQAUEIU-SECBINFHSA-N 1 0 315.757 1.871 20 5 DDBDRO Cn1c(C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000598539698 357626936 /nfs/dbraw/zinc/62/69/36/357626936.db2.gz AJCGYMODYGPCGE-LBPRGKRZSA-N 1 0 324.381 1.116 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000598541979 357627320 /nfs/dbraw/zinc/62/73/20/357627320.db2.gz PPVOVASDJDYPSY-UHFFFAOYSA-N 1 0 321.381 1.180 20 5 DDBDRO C[NH+](C)CCC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000598547599 357629381 /nfs/dbraw/zinc/62/93/81/357629381.db2.gz YWBXGGQPKZJKLK-HNNXBMFYSA-N 1 0 321.377 1.778 20 5 DDBDRO Cc1nn(C)c(C(=O)NC(C)(C)C[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000598740741 357711554 /nfs/dbraw/zinc/71/15/54/357711554.db2.gz WGGAJWJSFMJUSD-UHFFFAOYSA-N 1 0 309.370 1.241 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000598682516 357684777 /nfs/dbraw/zinc/68/47/77/357684777.db2.gz OATIFWGITWVQOJ-BLLLJJGKSA-N 1 0 318.377 1.655 20 5 DDBDRO Cc1ccc(S(=O)(=O)N[C@@]2(C)CC[NH2+]C2)c(C)c1[N+](=O)[O-] ZINC000598719075 357702661 /nfs/dbraw/zinc/70/26/61/357702661.db2.gz FWNMFCLXEIJHEN-ZDUSSCGKSA-N 1 0 313.379 1.242 20 5 DDBDRO C[C@@H](NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)[C@H]1CCC[NH2+]C1 ZINC000598916400 357757621 /nfs/dbraw/zinc/75/76/21/357757621.db2.gz YBGMXLWKRWCNLC-MNOVXSKESA-N 1 0 320.349 1.038 20 5 DDBDRO COc1cc(C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)c([N+](=O)[O-])cc1O ZINC000599007662 357791358 /nfs/dbraw/zinc/79/13/58/357791358.db2.gz SCOBXTQSASOBMX-SMDDNHRTSA-N 1 0 308.334 1.966 20 5 DDBDRO Cn1cc(C[NH2+]CC2COC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000599012486 357793269 /nfs/dbraw/zinc/79/32/69/357793269.db2.gz RTYZLFIGGSVMPM-UHFFFAOYSA-N 1 0 302.334 1.731 20 5 DDBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1COCCN1C ZINC000599082684 357809705 /nfs/dbraw/zinc/80/97/05/357809705.db2.gz YHRYJJVNSGXWQN-HIFRSBDPSA-N 1 0 307.394 1.836 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCN1CC[C@@H](O)C1 ZINC000599085290 357810494 /nfs/dbraw/zinc/81/04/94/357810494.db2.gz ORZYPVSBWGZMAV-DGCLKSJQSA-N 1 0 309.366 1.321 20 5 DDBDRO C[C@@H]1C[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H](C)C1(F)F ZINC000599512293 357960980 /nfs/dbraw/zinc/96/09/80/357960980.db2.gz HVGFEBSTIIXEKL-FOGDFJRCSA-N 1 0 318.324 1.375 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[N@H+]2CC3(CCOCC3)CC[C@@H]2CO)n1 ZINC000599542838 357967940 /nfs/dbraw/zinc/96/79/40/357967940.db2.gz FBAUDQZHJPWQSV-CYBMUJFWSA-N 1 0 324.381 1.045 20 5 DDBDRO COC(=O)[C@@]1(OC)CC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000599564076 357974843 /nfs/dbraw/zinc/97/48/43/357974843.db2.gz QCSUDTGDOJMBRO-IAQYHMDHSA-N 1 0 308.334 1.920 20 5 DDBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1C[C@@H](C(N)=O)C1 ZINC000599645694 358005154 /nfs/dbraw/zinc/00/51/54/358005154.db2.gz SWQYALJECRFMIB-PHIMTYICSA-N 1 0 320.349 1.119 20 5 DDBDRO COC(=O)[C@@H]1C[C@@H](C)[N@@H+](CCn2ccc([N+](=O)[O-])n2)[C@@H](C)C1 ZINC000599688683 358025859 /nfs/dbraw/zinc/02/58/59/358025859.db2.gz LLJMCMRKGCJBPJ-ZSBIGDGJSA-N 1 0 310.354 1.453 20 5 DDBDRO CC[NH+]1CCN([C@H]2CCN(c3ccncc3[N+](=O)[O-])C2)CC1 ZINC000358906396 299276371 /nfs/dbraw/zinc/27/63/71/299276371.db2.gz NHZATPZTYUTITN-ZDUSSCGKSA-N 1 0 305.382 1.206 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[NH2+]C[C@@H]1C(C)C ZINC000600713961 358292242 /nfs/dbraw/zinc/29/22/42/358292242.db2.gz HHZWSWVYKWEVEK-OAHLLOKOSA-N 1 0 320.393 1.772 20 5 DDBDRO O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000600836792 358329169 /nfs/dbraw/zinc/32/91/69/358329169.db2.gz CFALFRGMLKDFCU-LLVKDONJSA-N 1 0 320.349 1.442 20 5 DDBDRO Cc1c([C@@H](C)[NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])cnn1C ZINC000180691421 199197831 /nfs/dbraw/zinc/19/78/31/199197831.db2.gz ZRGSMSXDTAKNKY-SNVBAGLBSA-N 1 0 317.349 1.926 20 5 DDBDRO C[C@@H](CN1CCCC1=O)Nc1ccnc2ccc([N+](=O)[O-])cc21 ZINC000601106550 358404855 /nfs/dbraw/zinc/40/48/55/358404855.db2.gz ZHOGMOKEXBNLOF-NSHDSACASA-N 1 0 314.345 1.988 20 5 DDBDRO Cn1cc(C[NH2+][C@H]2C[C@@H](CO)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000601139679 358417912 /nfs/dbraw/zinc/41/79/12/358417912.db2.gz HFDNQJKRWRBDFU-VDISTLRHSA-N 1 0 316.361 1.856 20 5 DDBDRO CC[NH2+][C@@H](C)CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000358916742 299280043 /nfs/dbraw/zinc/28/00/43/299280043.db2.gz SZKYZJOVJOLQHB-VIFPVBQESA-N 1 0 309.322 1.094 20 5 DDBDRO Cc1cc(S(=O)(=O)NC[C@@H](C)C[NH+](C)C)c([N+](=O)[O-])s1 ZINC000601419243 358543637 /nfs/dbraw/zinc/54/36/37/358543637.db2.gz GSPZTZXYLAZBPB-MRVPVSSYSA-N 1 0 321.424 1.441 20 5 DDBDRO C[NH+](C)C1CN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC000601389503 358530654 /nfs/dbraw/zinc/53/06/54/358530654.db2.gz ACMWDNLZABAJPI-UHFFFAOYSA-N 1 0 303.362 1.789 20 5 DDBDRO C[C@@](O)(C[C@H](O)C[NH2+]CCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000601964699 358755937 /nfs/dbraw/zinc/75/59/37/358755937.db2.gz LNTDLACITWQJTD-JKSUJKDBSA-N 1 0 308.378 1.639 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@@H]([NH+]3CCCC3)C2)c1 ZINC000602168459 358861002 /nfs/dbraw/zinc/86/10/02/358861002.db2.gz DBELNLLXBGWASR-TXEJJXNPSA-N 1 0 319.361 1.960 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000602786928 359191898 /nfs/dbraw/zinc/19/18/98/359191898.db2.gz ZUUQCNJJDZKQCK-OAHLLOKOSA-N 1 0 308.382 1.992 20 5 DDBDRO NC(=O)[C@H]1C[C@@H]([NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602700651 359132929 /nfs/dbraw/zinc/13/29/29/359132929.db2.gz VIBGKABKAOMSLC-WAAGHKOSSA-N 1 0 317.267 1.967 20 5 DDBDRO C[C@]12C[N@H+](Cc3cccc([N+](=O)[O-])c3)C[C@@]1(C)C(=O)NC2=O ZINC000602729696 359153293 /nfs/dbraw/zinc/15/32/93/359153293.db2.gz BLYSWXFOZUHBKB-GASCZTMLSA-N 1 0 303.318 1.079 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@H](O)C[C@H]1c1ccccc1 ZINC000602839807 359228505 /nfs/dbraw/zinc/22/85/05/359228505.db2.gz IVAMJXIHFUMBNX-CABCVRRESA-N 1 0 316.361 1.908 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@H](C(C)(C)C)[C@H](O)C1 ZINC000602801073 359201326 /nfs/dbraw/zinc/20/13/26/359201326.db2.gz LFFDODLLVLXTAS-QWHCGFSZSA-N 1 0 310.398 1.829 20 5 DDBDRO CO[C@@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)[C@@](C)(CO)C1 ZINC000602965036 359328912 /nfs/dbraw/zinc/32/89/12/359328912.db2.gz YDDXYAJCFPXIQG-LSDHHAIUSA-N 1 0 310.350 1.445 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000602988339 359341271 /nfs/dbraw/zinc/34/12/71/359341271.db2.gz HOVKIEZQXPZGBM-VHSXEESVSA-N 1 0 322.287 1.202 20 5 DDBDRO O=[N+]([O-])c1ccc(OCCn2cc([C@H]3CCC[NH2+]C3)nn2)cc1 ZINC000603200221 359476105 /nfs/dbraw/zinc/47/61/05/359476105.db2.gz GCFNXNBBOMLASM-LBPRGKRZSA-N 1 0 317.349 1.732 20 5 DDBDRO C[NH2+][C@@H](C)c1cn(Cc2cc(OC)c(F)cc2[N+](=O)[O-])nn1 ZINC000603234956 359503338 /nfs/dbraw/zinc/50/33/38/359503338.db2.gz DRWRGDUCMQLPJI-QMMMGPOBSA-N 1 0 309.301 1.663 20 5 DDBDRO Cc1nc(N2CCC([N@H+]3CCOC[C@H]3C)CC2)ccc1[N+](=O)[O-] ZINC000603399452 359615805 /nfs/dbraw/zinc/61/58/05/359615805.db2.gz AUBCIEABPOBETG-GFCCVEGCSA-N 1 0 320.393 1.988 20 5 DDBDRO C[C@H](CNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)C[NH+]1CCCCC1 ZINC000186986285 200043284 /nfs/dbraw/zinc/04/32/84/200043284.db2.gz FCSVFMJXYUIBSS-LLVKDONJSA-N 1 0 322.365 1.547 20 5 DDBDRO O=C1CCc2cc([N+](=O)[O-])c(NC[C@@H]3CSCC[NH2+]3)cc2N1 ZINC000603419689 359629609 /nfs/dbraw/zinc/62/96/09/359629609.db2.gz PMUQZBZPMIDOPM-SNVBAGLBSA-N 1 0 322.390 1.596 20 5 DDBDRO CSC[C@@H](O)C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000187826659 200162526 /nfs/dbraw/zinc/16/25/26/200162526.db2.gz LJQOPUPTBNKETB-AWEZNQCLSA-N 1 0 311.407 1.441 20 5 DDBDRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000237537724 202274977 /nfs/dbraw/zinc/27/49/77/202274977.db2.gz WZBHDTLKYRKQTK-NWDGAFQWSA-N 1 0 307.350 1.702 20 5 DDBDRO COc1cc(C(=O)N[C@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])cc1OC ZINC000604199913 359725141 /nfs/dbraw/zinc/72/51/41/359725141.db2.gz XEGDMRAUXPPWLA-JTQLQIEISA-N 1 0 323.349 1.436 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000565769844 304090410 /nfs/dbraw/zinc/09/04/10/304090410.db2.gz UNSUHDJTJUHSLZ-INIZCTEOSA-N 1 0 319.361 1.819 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]1CNc2ccnn2C1 ZINC000609406848 360305403 /nfs/dbraw/zinc/30/54/03/360305403.db2.gz WVHQLMBTGDNAOH-LLVKDONJSA-N 1 0 317.349 1.631 20 5 DDBDRO COCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000609269887 360285469 /nfs/dbraw/zinc/28/54/69/360285469.db2.gz YQHFUORAQNLHOR-CYBMUJFWSA-N 1 0 307.350 1.435 20 5 DDBDRO CC[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C[C@@H]1CCOC1 ZINC000609631597 360339184 /nfs/dbraw/zinc/33/91/84/360339184.db2.gz DQTCOJWHSLLRIN-NSHDSACASA-N 1 0 307.350 1.552 20 5 DDBDRO O=[N+]([O-])c1cccnc1N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000610489120 360450336 /nfs/dbraw/zinc/45/03/36/360450336.db2.gz FBZLIWUEYBVLBV-ZDUSSCGKSA-N 1 0 306.366 1.681 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H]2CCc3c2cccc3F)c1 ZINC000610336029 360416274 /nfs/dbraw/zinc/41/62/74/360416274.db2.gz FKYKRWUVFMQUSO-NHYWBVRUSA-N 1 0 320.324 1.568 20 5 DDBDRO C[NH+](C)CCCOC1CCN(c2cccnc2[N+](=O)[O-])CC1 ZINC000610510545 360456338 /nfs/dbraw/zinc/45/63/38/360456338.db2.gz ULSCBPBHZHVRPP-UHFFFAOYSA-N 1 0 308.382 1.927 20 5 DDBDRO Nc1c(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)cccc1[N+](=O)[O-] ZINC000610522708 360460696 /nfs/dbraw/zinc/46/06/96/360460696.db2.gz RHCFFBOTYLBCPH-NSHDSACASA-N 1 0 304.350 1.391 20 5 DDBDRO CC[N@@H+]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2C)C[C@H]1C ZINC000611087678 360619061 /nfs/dbraw/zinc/61/90/61/360619061.db2.gz CEWKGZYAPWDYHL-GFCCVEGCSA-N 1 0 305.378 1.998 20 5 DDBDRO C[N@@H+]1CCC[C@H](NC(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000611147070 360636824 /nfs/dbraw/zinc/63/68/24/360636824.db2.gz UFJIKTOPYUKBQZ-ZDUSSCGKSA-N 1 0 306.366 1.531 20 5 DDBDRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(c2ccc([N+](=O)[O-])s2)CC1 ZINC000611242446 360676193 /nfs/dbraw/zinc/67/61/93/360676193.db2.gz ABQVLQDSYRZBSF-LLVKDONJSA-N 1 0 324.406 1.575 20 5 DDBDRO C[C@@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000063193851 296028152 /nfs/dbraw/zinc/02/81/52/296028152.db2.gz NXINKIYKZVQAEM-GHMZBOCLSA-N 1 0 313.379 1.485 20 5 DDBDRO CO[C@@]1(C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CCOC1 ZINC000613108149 361270358 /nfs/dbraw/zinc/27/03/58/361270358.db2.gz LZNCJOSJQQMBAL-OAHLLOKOSA-N 1 0 324.333 1.261 20 5 DDBDRO C[NH2+]CCCNS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000193236603 201011074 /nfs/dbraw/zinc/01/10/74/201011074.db2.gz GCYHWBVLNJADEE-UHFFFAOYSA-N 1 0 321.786 1.444 20 5 DDBDRO CC[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000193255520 201014410 /nfs/dbraw/zinc/01/44/10/201014410.db2.gz UDWLHQKWPOGWNQ-UHFFFAOYSA-N 1 0 324.362 1.031 20 5 DDBDRO O=C(c1ccc([N+](=O)[O-])o1)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000619871864 364169312 /nfs/dbraw/zinc/16/93/12/364169312.db2.gz BGIMROREBHQDTF-GFCCVEGCSA-N 1 0 323.349 1.515 20 5 DDBDRO Nc1c(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc(F)cc1[N+](=O)[O-] ZINC000248616679 202751406 /nfs/dbraw/zinc/75/14/06/202751406.db2.gz LZJPOPJNFNXNNE-BKDNQFJXSA-N 1 0 308.313 1.125 20 5 DDBDRO C[C@@H](CCCC[NH3+])NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000566214636 304130518 /nfs/dbraw/zinc/13/05/18/304130518.db2.gz VYEIXUXOVIDKQE-JTQLQIEISA-N 1 0 323.349 1.613 20 5 DDBDRO C[C@]1([NH3+])CCCC[C@@H]1C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000423820637 291405755 /nfs/dbraw/zinc/40/57/55/291405755.db2.gz CGBSYTURPKYOQP-CJNGLKHVSA-N 1 0 318.377 1.782 20 5 DDBDRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000349921720 284107061 /nfs/dbraw/zinc/10/70/61/284107061.db2.gz OLTHEYLBOBJEHE-CYBMUJFWSA-N 1 0 324.381 1.496 20 5 DDBDRO C[NH2+][C@H](C)CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000261755306 203109748 /nfs/dbraw/zinc/10/97/48/203109748.db2.gz NVODKNCJZAWFDW-SNVBAGLBSA-N 1 0 303.322 1.118 20 5 DDBDRO Cc1nn(CCC(=O)N2CC[C@H](C)C[C@H]2C[NH3+])c(C)c1[N+](=O)[O-] ZINC000261879396 203142938 /nfs/dbraw/zinc/14/29/38/203142938.db2.gz TXDFTPKEQGVHAJ-GWCFXTLKSA-N 1 0 323.397 1.384 20 5 DDBDRO O=C(CNc1ccccc1[N+](=O)[O-])N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261901206 203147275 /nfs/dbraw/zinc/14/72/75/203147275.db2.gz WHVZXHCPBBAQJK-BETUJISGSA-N 1 0 318.377 1.465 20 5 DDBDRO COCC[N@@H+](CCc1ccccc1)CCn1cc([N+](=O)[O-])cn1 ZINC000350725020 284249644 /nfs/dbraw/zinc/24/96/44/284249644.db2.gz RLMDRKPTQQHVNP-UHFFFAOYSA-N 1 0 318.377 1.982 20 5 DDBDRO C[N@@H+]1CCC[C@H]1CNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000264914894 204265125 /nfs/dbraw/zinc/26/51/25/204265125.db2.gz OCXKYETXTHMVET-LBPRGKRZSA-N 1 0 307.350 1.574 20 5 DDBDRO C[C@H](CC[NH+](C)C)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000264918063 204267330 /nfs/dbraw/zinc/26/73/30/204267330.db2.gz OZQBLPWAJOWALC-SNVBAGLBSA-N 1 0 323.349 1.436 20 5 DDBDRO CC(C)(C)[C@H](CO)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000265417719 204597326 /nfs/dbraw/zinc/59/73/26/204597326.db2.gz HKGVUPDIDNRROI-ZDUSSCGKSA-N 1 0 309.366 1.920 20 5 DDBDRO COc1cc(C[NH2+][C@H](C)Cn2cccn2)c([N+](=O)[O-])cc1O ZINC000282679912 217171412 /nfs/dbraw/zinc/17/14/12/217171412.db2.gz SPLVMTKPBFMYFK-SNVBAGLBSA-N 1 0 306.322 1.684 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000266294666 205243586 /nfs/dbraw/zinc/24/35/86/205243586.db2.gz XICKMRKOYAVMSL-UHFFFAOYSA-N 1 0 315.377 1.839 20 5 DDBDRO COCC[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(OC)c2)C[C@@H]1C ZINC000266338982 205278371 /nfs/dbraw/zinc/27/83/71/205278371.db2.gz IAJOSKAXUPPWQB-LBPRGKRZSA-N 1 0 309.366 1.760 20 5 DDBDRO Cc1n[nH]c(C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000288473205 220165156 /nfs/dbraw/zinc/16/51/56/220165156.db2.gz QNIACTBUTYEIDS-ONGXEEELSA-N 1 0 307.354 1.325 20 5 DDBDRO COC(=O)CC[C@@H]([NH3+])C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000288495802 220180630 /nfs/dbraw/zinc/18/06/30/220180630.db2.gz AWXQXYZWSGVNLM-BXKDBHETSA-N 1 0 309.322 1.053 20 5 DDBDRO O=C([C@@H]1CC[NH2+]C1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000160920964 197450728 /nfs/dbraw/zinc/45/07/28/197450728.db2.gz MSAVMUOHFNGKAS-GFCCVEGCSA-N 1 0 319.361 1.574 20 5 DDBDRO COc1cc(N2CC[NH+](C[C@@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000267356180 206006708 /nfs/dbraw/zinc/00/67/08/206006708.db2.gz HGBHLZHVZGJBTF-ZDUSSCGKSA-N 1 0 321.377 1.762 20 5 DDBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000267558980 206144901 /nfs/dbraw/zinc/14/49/01/206144901.db2.gz CVJKRKBZXNMPQR-MNOVXSKESA-N 1 0 307.354 1.325 20 5 DDBDRO CS[C@@H]1CN(c2ccc([N+](=O)[O-])c3nonc32)C[C@@H]1[NH+](C)C ZINC000270923778 248710337 /nfs/dbraw/zinc/71/03/37/248710337.db2.gz BEKZGSDZRVWLIK-WDEREUQCSA-N 1 0 323.378 1.613 20 5 DDBDRO CNc1c(C(=O)N(C)CC[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000336859494 249266786 /nfs/dbraw/zinc/26/67/86/249266786.db2.gz HVRAWGPTKZOAAK-UHFFFAOYSA-N 1 0 306.366 1.804 20 5 DDBDRO CC1CC[NH+](C[C@H](O)CNC(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000337013033 249314434 /nfs/dbraw/zinc/31/44/34/249314434.db2.gz IQMAOBUYBUPMLB-CYBMUJFWSA-N 1 0 321.377 1.417 20 5 DDBDRO CC(C)[C@H](CCO)[NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000274072481 211330119 /nfs/dbraw/zinc/33/01/19/211330119.db2.gz RMMPREQZRSSLOF-RYUDHWBXSA-N 1 0 309.366 1.918 20 5 DDBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccncc1F ZINC000338343169 249918394 /nfs/dbraw/zinc/91/83/94/249918394.db2.gz NJIGQKHMXJTARF-SNVBAGLBSA-N 1 0 306.297 1.641 20 5 DDBDRO Cc1c(CN2CCO[C@@H]3CC[N@@H+](C)C[C@H]32)cccc1[N+](=O)[O-] ZINC000284471386 218040660 /nfs/dbraw/zinc/04/06/60/218040660.db2.gz AGLHBCNXDNPPAF-HZPDHXFCSA-N 1 0 305.378 1.808 20 5 DDBDRO CO[C@H]1C[C@@H](CN(C)C(=O)c2ccc([N+](=O)[O-])cc2)[N@H+](C)C1 ZINC000284628437 218107206 /nfs/dbraw/zinc/10/72/06/218107206.db2.gz LPTXYUCMWIXTKZ-KBPBESRZSA-N 1 0 307.350 1.386 20 5 DDBDRO CO[C@H]1C[C@@H](CN(C)c2nc3cc([N+](=O)[O-])ccc3[nH]2)[N@H+](C)C1 ZINC000284659388 218120041 /nfs/dbraw/zinc/12/00/41/218120041.db2.gz XPVJMGXVRVDHNI-RYUDHWBXSA-N 1 0 319.365 1.626 20 5 DDBDRO C[NH+](C)[C@H]1CCCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000105177108 194081955 /nfs/dbraw/zinc/08/19/55/194081955.db2.gz NBTYYUMJGLGJLU-HNNXBMFYSA-N 1 0 320.393 1.873 20 5 DDBDRO C[NH+](C)CCN(CC1CCCCC1)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000284994342 218249401 /nfs/dbraw/zinc/24/94/01/218249401.db2.gz BRNFTGCWQAAGQJ-UHFFFAOYSA-N 1 0 323.397 1.902 20 5 DDBDRO O=[N+]([O-])c1ccc(CC[N@H+]2CCOC[C@@H]2[C@@H]2CCC[C@@H]2O)cc1 ZINC000285020491 218259001 /nfs/dbraw/zinc/25/90/01/218259001.db2.gz ZCFHCPNTCCCPCM-BBWFWOEESA-N 1 0 320.389 1.999 20 5 DDBDRO C[NH+](C)[C@@H]1CCCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000109810990 194289869 /nfs/dbraw/zinc/28/98/69/194289869.db2.gz GKBCBXFHCDINAE-CQSZACIVSA-N 1 0 321.377 1.987 20 5 DDBDRO O=[N+]([O-])c1ccccc1OCC[NH2+][C@H](CO)[C@@H]1CCCOC1 ZINC000411992775 223940568 /nfs/dbraw/zinc/94/05/68/223940568.db2.gz KHARYHGCAWVMFU-CHWSQXEVSA-N 1 0 310.350 1.351 20 5 DDBDRO COC(=O)[C@H]1CN(c2ccc([N+](=O)[O-])c(C)c2)CC[N@H+](C)C1 ZINC000413511422 533010060 /nfs/dbraw/zinc/01/00/60/533010060.db2.gz ZPPXCCZZAOLRPI-GFCCVEGCSA-N 1 0 307.350 1.444 20 5 DDBDRO O=[N+]([O-])c1ccccc1OCC[NH2+][C@H](CO)C1CCOCC1 ZINC000359876695 299558466 /nfs/dbraw/zinc/55/84/66/299558466.db2.gz OYVFXALTJHBCOS-CYBMUJFWSA-N 1 0 310.350 1.351 20 5 DDBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](CCO)CC1CC1 ZINC000352459518 285064522 /nfs/dbraw/zinc/06/45/22/285064522.db2.gz ZUCQIVCFBAREPF-NSHDSACASA-N 1 0 307.350 1.626 20 5 DDBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000286183396 218834858 /nfs/dbraw/zinc/83/48/58/218834858.db2.gz RLQQTZNGUUWLOW-JRPNMDOOSA-N 1 0 307.350 1.476 20 5 DDBDRO COc1cc(S(=O)(=O)NC(C)(C)CC[NH3+])ccc1[N+](=O)[O-] ZINC000422555948 533099392 /nfs/dbraw/zinc/09/93/92/533099392.db2.gz RPAYDUCRDOFYTB-UHFFFAOYSA-N 1 0 317.367 1.009 20 5 DDBDRO Cn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(CC[NH+](C)C)cc2)n1 ZINC000271419252 208898238 /nfs/dbraw/zinc/89/82/38/208898238.db2.gz PTBDJUADRAXMSF-UHFFFAOYSA-N 1 0 317.349 1.685 20 5 DDBDRO COc1cc[nH+]c(N2CCN(c3ccncc3[N+](=O)[O-])CC2)c1 ZINC000352644560 285193919 /nfs/dbraw/zinc/19/39/19/285193919.db2.gz JBAYNOYWNHGDPT-UHFFFAOYSA-N 1 0 315.333 1.720 20 5 DDBDRO CC(C)C[C@H](C[NH3+])NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000155496632 197060163 /nfs/dbraw/zinc/06/01/63/197060163.db2.gz BIIPMZLUKXNGFW-GFCCVEGCSA-N 1 0 309.366 1.853 20 5 DDBDRO C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000155376539 197049032 /nfs/dbraw/zinc/04/90/32/197049032.db2.gz LHJAFAGRUYWANG-BETUJISGSA-N 1 0 320.393 1.582 20 5 DDBDRO COc1ccc(C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000289343410 220896866 /nfs/dbraw/zinc/89/68/66/220896866.db2.gz XEPNSOUGNBPNEY-MRXNPFEDSA-N 1 0 319.361 1.819 20 5 DDBDRO CO[C@H](C[NH3+])C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000289499217 221020757 /nfs/dbraw/zinc/02/07/57/221020757.db2.gz GWYQEYDCZBZSGD-LLVKDONJSA-N 1 0 301.730 1.180 20 5 DDBDRO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000289540719 221053545 /nfs/dbraw/zinc/05/35/45/221053545.db2.gz BQXURDDJKNKXQN-UWVGGRQHSA-N 1 0 315.333 1.153 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[C@@H](C[NH3+])C1 ZINC000417179421 533220994 /nfs/dbraw/zinc/22/09/94/533220994.db2.gz FQDXHCYPIGMSFZ-JTQLQIEISA-N 1 0 308.338 1.094 20 5 DDBDRO CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000289670657 221144028 /nfs/dbraw/zinc/14/40/28/221144028.db2.gz RLPXWKXWKTVESU-IUODEOHRSA-N 1 0 320.393 1.757 20 5 DDBDRO CC1(C)C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@H]1[C@H]1CCCO1 ZINC000289683215 221151242 /nfs/dbraw/zinc/15/12/42/221151242.db2.gz HUCLQSZCLQRODY-HIFRSBDPSA-N 1 0 321.377 1.646 20 5 DDBDRO COCCOC[C@H](O)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000294887110 224287006 /nfs/dbraw/zinc/28/70/06/224287006.db2.gz CQZMAJFVUMBAGI-TZMCWYRMSA-N 1 0 312.366 1.578 20 5 DDBDRO O=[N+]([O-])c1cc(Cl)cnc1N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000294998563 224368652 /nfs/dbraw/zinc/36/86/52/224368652.db2.gz REXBEPDGAPARAB-NSHDSACASA-N 1 0 314.773 1.902 20 5 DDBDRO CN(C(=O)C[NH2+][C@H]1CCOC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000295139897 224463744 /nfs/dbraw/zinc/46/37/44/224463744.db2.gz BZXAZOSTRZLKEL-ZDUSSCGKSA-N 1 0 307.350 1.715 20 5 DDBDRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000122071086 195397156 /nfs/dbraw/zinc/39/71/56/195397156.db2.gz LJFZANNDFFNQDM-YPMHNXCESA-N 1 0 306.366 1.735 20 5 DDBDRO COc1cccc(C(=O)NCC[C@H]2CCC[NH2+]C2)c1[N+](=O)[O-] ZINC000422809699 533408383 /nfs/dbraw/zinc/40/83/83/533408383.db2.gz MOPFYZABWJIOEL-LLVKDONJSA-N 1 0 307.350 1.723 20 5 DDBDRO COc1cc(C(=O)N2CC[C@H]([C@H](C)[NH3+])C2)cc([N+](=O)[O-])c1C ZINC000423534391 533524907 /nfs/dbraw/zinc/52/49/07/533524907.db2.gz VUSBZNGLBDUNML-QWRGUYRKSA-N 1 0 307.350 1.721 20 5 DDBDRO C[C@H](NC(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000417126715 533608875 /nfs/dbraw/zinc/60/88/75/533608875.db2.gz DUKVMVVKUHDTEE-FPMFFAJLSA-N 1 0 318.377 1.907 20 5 DDBDRO C[C@@H]1C[C@@H](NC(=O)NCCc2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000417223077 533621070 /nfs/dbraw/zinc/62/10/70/533621070.db2.gz GDUUVIIXJLUDPQ-YPMHNXCESA-N 1 0 306.366 1.577 20 5 DDBDRO COc1c[nH+]ccc1N1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000360257540 299620615 /nfs/dbraw/zinc/62/06/15/299620615.db2.gz LGXSIKXIISHVMC-UHFFFAOYSA-N 1 0 315.333 1.720 20 5 DDBDRO CO[C@@H](C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000569095880 304336512 /nfs/dbraw/zinc/33/65/12/304336512.db2.gz MXNLOCUKGKKEPD-AWEZNQCLSA-N 1 0 307.350 1.938 20 5 DDBDRO CC(C)NC(=O)CC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000569351328 304349366 /nfs/dbraw/zinc/34/93/66/304349366.db2.gz ZIQOHXOHFOYXHV-UHFFFAOYSA-N 1 0 322.365 1.428 20 5 DDBDRO Cc1cccc(C[N@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000266575924 407566205 /nfs/dbraw/zinc/56/62/05/407566205.db2.gz LWRSROHMIWCUHC-OAHLLOKOSA-N 1 0 304.350 1.593 20 5 DDBDRO C[C@@H]1C[C@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CS1 ZINC000570563832 304415034 /nfs/dbraw/zinc/41/50/34/304415034.db2.gz BYFPPYVNCDTZDI-GRYCIOLGSA-N 1 0 312.391 1.818 20 5 DDBDRO COc1ccc(C(=O)N[C@H]2C[C@@H]2C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000361118348 299803903 /nfs/dbraw/zinc/80/39/03/299803903.db2.gz UNZDUTFOWYLZBI-OLZOCXBDSA-N 1 0 319.361 1.721 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCCCC[NH3+])c1C ZINC000037714711 406993046 /nfs/dbraw/zinc/99/30/46/406993046.db2.gz CAIMBECXOCHFJC-UHFFFAOYSA-N 1 0 301.368 1.229 20 5 DDBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000046132938 407055209 /nfs/dbraw/zinc/05/52/09/407055209.db2.gz WECJUHNPQVOIPM-ZDUSSCGKSA-N 1 0 307.350 1.574 20 5 DDBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000079670161 407060274 /nfs/dbraw/zinc/06/02/74/407060274.db2.gz JPFJZVVRNBKJRE-ZDUSSCGKSA-N 1 0 318.377 1.878 20 5 DDBDRO CCC[NH2+]CCNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000054266458 407181534 /nfs/dbraw/zinc/18/15/34/407181534.db2.gz AWUZWLFXJTYMQA-UHFFFAOYSA-N 1 0 301.368 1.181 20 5 DDBDRO CN(CC1CC[NH+](C)CC1)C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000103450887 407340152 /nfs/dbraw/zinc/34/01/52/407340152.db2.gz ZLFVBUHXOLVLBQ-UHFFFAOYSA-N 1 0 323.397 1.327 20 5 DDBDRO C[C@@]1(O)CCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000124923243 407373727 /nfs/dbraw/zinc/37/37/27/407373727.db2.gz DUJKMJLQPYTLEM-OAHLLOKOSA-N 1 0 307.350 1.770 20 5 DDBDRO C[C@H]1C[NH2+]CCN1C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000125896508 407400257 /nfs/dbraw/zinc/40/02/57/407400257.db2.gz CNXUEESPWXVGSX-NSHDSACASA-N 1 0 315.333 1.214 20 5 DDBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000126251838 407409411 /nfs/dbraw/zinc/40/94/11/407409411.db2.gz ROQGBYJPHYNDFM-GWCFXTLKSA-N 1 0 306.366 1.589 20 5 DDBDRO CCC(CC)(C[NH3+])NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000111832419 407417536 /nfs/dbraw/zinc/41/75/36/407417536.db2.gz DXTVUBBOZYFXDO-UHFFFAOYSA-N 1 0 315.395 1.699 20 5 DDBDRO C[NH2+]CCCN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000127099676 407427920 /nfs/dbraw/zinc/42/79/20/407427920.db2.gz MHNTZZZRJBXCBM-UHFFFAOYSA-N 1 0 301.368 1.133 20 5 DDBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000112561233 407432506 /nfs/dbraw/zinc/43/25/06/407432506.db2.gz NQADRIBSDPNNJV-AWEZNQCLSA-N 1 0 303.362 1.643 20 5 DDBDRO CC(C)OCCC[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000265859546 407487812 /nfs/dbraw/zinc/48/78/12/407487812.db2.gz JVOBUDSJNDQGSW-UHFFFAOYSA-N 1 0 309.366 1.941 20 5 DDBDRO CC(C)(C)S(=O)(=O)CC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000113344691 407497321 /nfs/dbraw/zinc/49/73/21/407497321.db2.gz VQIJQBWRIWDQIS-UHFFFAOYSA-N 1 0 300.380 1.898 20 5 DDBDRO CC[C@H](O)[C@H]1CCCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000114188016 407552643 /nfs/dbraw/zinc/55/26/43/407552643.db2.gz FXFZWVBSSBXKJX-HIFRSBDPSA-N 1 0 321.377 1.819 20 5 DDBDRO COC(=O)[C@H]1CC[N@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000266550778 407553998 /nfs/dbraw/zinc/55/39/98/407553998.db2.gz UFWJVXWCDUOWMF-NSHDSACASA-N 1 0 324.333 1.477 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C2(c3ccccc3)CCC2)c1 ZINC000266630792 407586450 /nfs/dbraw/zinc/58/64/50/407586450.db2.gz ITATVOXCTLIBQF-OAHLLOKOSA-N 1 0 316.361 1.821 20 5 DDBDRO Cn1ccnc1[C@@H]1C[NH2+]CCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000261745741 407600488 /nfs/dbraw/zinc/60/04/88/407600488.db2.gz LFMWEERYUZVSND-AWEZNQCLSA-N 1 0 319.340 1.614 20 5 DDBDRO COc1ccc(C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1[N+](=O)[O-] ZINC000261894075 407659745 /nfs/dbraw/zinc/65/97/45/407659745.db2.gz ODQCIVGTZKPTSK-YNEHKIRRSA-N 1 0 319.361 1.803 20 5 DDBDRO C[C@H]([NH3+])[C@@H]1CCCCN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000261839183 407636073 /nfs/dbraw/zinc/63/60/73/407636073.db2.gz CGMAMNYQJUCCQN-AAEUAGOBSA-N 1 0 306.366 1.735 20 5 DDBDRO C[C@@H]1OCC[C@]1(O)C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000227967173 407640838 /nfs/dbraw/zinc/64/08/38/407640838.db2.gz YPDSZAHGVXLCRD-ZANVPECISA-N 1 0 300.742 1.878 20 5 DDBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NC[C@H]1CCC[NH2+]1 ZINC000178918895 407655896 /nfs/dbraw/zinc/65/58/96/407655896.db2.gz BZFXNKVXEVNKCM-MRVPVSSYSA-N 1 0 319.770 1.279 20 5 DDBDRO CCN(C)C(=O)CC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000130142569 407658381 /nfs/dbraw/zinc/65/83/81/407658381.db2.gz MMQAQECBYNFCMT-UHFFFAOYSA-N 1 0 320.393 1.585 20 5 DDBDRO Cc1cc(C[NH+](C)C)cc(NC(=O)c2n[nH]cc2[N+](=O)[O-])c1 ZINC000130227065 407667941 /nfs/dbraw/zinc/66/79/41/407667941.db2.gz XBPYVDDCOCDQEX-UHFFFAOYSA-N 1 0 303.322 1.940 20 5 DDBDRO COC(=O)[C@@H]1CC12CC[NH+](CCn1cc([N+](=O)[O-])cn1)CC2 ZINC000266919046 407675005 /nfs/dbraw/zinc/67/50/05/407675005.db2.gz HKMRFLAMLRCQEK-LBPRGKRZSA-N 1 0 308.338 1.066 20 5 DDBDRO C[C@]1(C[NH3+])CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000261923743 407675923 /nfs/dbraw/zinc/67/59/23/407675923.db2.gz YYGVEEABTFVBHF-OAHLLOKOSA-N 1 0 317.349 1.816 20 5 DDBDRO [NH3+][C@@H]1CCC[C@H]2CN(CC(=O)Nc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000261955754 407688398 /nfs/dbraw/zinc/68/83/98/407688398.db2.gz XCODFOJRLIKNIN-RWMBFGLXSA-N 1 0 318.377 1.593 20 5 DDBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3F)C[C@H]21 ZINC000262068330 407729874 /nfs/dbraw/zinc/72/98/74/407729874.db2.gz FVGOCVPNNQQEPJ-MRCXROJRSA-N 1 0 307.325 1.933 20 5 DDBDRO C[C@H]1C[C@@H](NS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000235714850 407719063 /nfs/dbraw/zinc/71/90/63/407719063.db2.gz ULTDWAORVDWRPA-JQWIXIFHSA-N 1 0 313.379 1.155 20 5 DDBDRO Cc1c(C(=O)N(C)[C@H]2CC[NH2+]C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000179092969 407721915 /nfs/dbraw/zinc/72/19/15/407721915.db2.gz BUSWFUDWCFQAJA-JTQLQIEISA-N 1 0 322.321 1.554 20 5 DDBDRO CC(C)C[C@@](C)(C[NH3+])NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000236699893 407755748 /nfs/dbraw/zinc/75/57/48/407755748.db2.gz MUBRYTPUTQFSHN-HNNXBMFYSA-N 1 0 319.365 1.964 20 5 DDBDRO CC[C@H](NC(=O)C[NH2+]C[C@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000237003895 407790602 /nfs/dbraw/zinc/79/06/02/407790602.db2.gz MJRDSJWCGKLZEL-CABCVRRESA-N 1 0 321.377 1.931 20 5 DDBDRO CCN(C)C(=O)CC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000153511907 407842279 /nfs/dbraw/zinc/84/22/79/407842279.db2.gz BBJXIGPASNABMT-LBPRGKRZSA-N 1 0 321.381 1.344 20 5 DDBDRO CC[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1c(C)noc1C ZINC000182394410 306704478 /nfs/dbraw/zinc/70/44/78/306704478.db2.gz UAPLUPYQMXEJBV-OLZOCXBDSA-N 1 0 323.353 1.498 20 5 DDBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)NC1CC[NH2+]CC1 ZINC000262519612 407856501 /nfs/dbraw/zinc/85/65/01/407856501.db2.gz WVJWTZDBFWSAIW-UHFFFAOYSA-N 1 0 306.366 1.655 20 5 DDBDRO C[NH+](C)[C@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000117786540 407859681 /nfs/dbraw/zinc/85/96/81/407859681.db2.gz KTGUJEXVNRJFJL-LBPRGKRZSA-N 1 0 311.769 1.953 20 5 DDBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000118096605 407885995 /nfs/dbraw/zinc/88/59/95/407885995.db2.gz FNUWSNJSUOELMG-CYBMUJFWSA-N 1 0 320.349 1.134 20 5 DDBDRO C[C@@H]1C[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000245404341 407962350 /nfs/dbraw/zinc/96/23/50/407962350.db2.gz OWUCDDOSKZKTFU-TZMCWYRMSA-N 1 0 310.350 1.445 20 5 DDBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000134624403 407917705 /nfs/dbraw/zinc/91/77/05/407917705.db2.gz OVTZDWVUJZGSED-CYBMUJFWSA-N 1 0 316.361 1.829 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)c1 ZINC000153938225 407935141 /nfs/dbraw/zinc/93/51/41/407935141.db2.gz DQMUTQAIIJRNGG-LLVKDONJSA-N 1 0 307.350 1.770 20 5 DDBDRO CN(C(=O)C[N@@H+]1CC[C@]2(CCOC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000153931612 407937051 /nfs/dbraw/zinc/93/70/51/407937051.db2.gz YUZZOFSFOKDISY-INIZCTEOSA-N 1 0 319.361 1.670 20 5 DDBDRO C[C@@H]1C[NH2+]CC[C@H]1NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000262808390 407941670 /nfs/dbraw/zinc/94/16/70/407941670.db2.gz XLJUSXMCDGCPNC-ZWNOBZJWSA-N 1 0 313.379 1.012 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCCC3)c1 ZINC000182036888 408069136 /nfs/dbraw/zinc/06/91/36/408069136.db2.gz JUMMQQJTPOKIQI-IHRRRGAJSA-N 1 0 306.366 1.729 20 5 DDBDRO C[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C[C@H]1CCCOC1 ZINC000245897467 408089111 /nfs/dbraw/zinc/08/91/11/408089111.db2.gz FCPBRGCAHFHRQX-UKRRQHHQSA-N 1 0 324.377 1.693 20 5 DDBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cccc([N+](=O)[O-])c3N)CC[C@@H]21 ZINC000154825333 408091949 /nfs/dbraw/zinc/09/19/49/408091949.db2.gz OJFLDAZPXYRQNP-AAEUAGOBSA-N 1 0 318.377 1.733 20 5 DDBDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C1 ZINC000175445402 408133776 /nfs/dbraw/zinc/13/37/76/408133776.db2.gz AVWNNQCYBRYRHT-VHSXEESVSA-N 1 0 308.338 1.298 20 5 DDBDRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)COc3ccc([N+](=O)[O-])c(F)c3)C[C@H]12 ZINC000273389806 408178787 /nfs/dbraw/zinc/17/87/87/408178787.db2.gz HRQQJXXIHNNSJL-SUZMYJTESA-N 1 0 323.324 1.308 20 5 DDBDRO CCC[N@@H+]1CC[C@H](CNc2ncc(C(=O)OC)cc2[N+](=O)[O-])C1 ZINC000190169627 408179290 /nfs/dbraw/zinc/17/92/90/408179290.db2.gz FONRFWMXFAYBPV-LLVKDONJSA-N 1 0 322.365 1.920 20 5 DDBDRO C[NH+](C)CC(C)(C)CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000122142444 408258246 /nfs/dbraw/zinc/25/82/46/408258246.db2.gz VQVAQEJPIVJOTA-UHFFFAOYSA-N 1 0 322.365 1.237 20 5 DDBDRO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000175993631 408258921 /nfs/dbraw/zinc/25/89/21/408258921.db2.gz VXXLQYZGWAYKGB-NSHDSACASA-N 1 0 306.366 1.781 20 5 DDBDRO C[NH+](C)CCn1ccc(NC(=O)c2cccc([N+](=O)[O-])c2N)n1 ZINC000176282215 408332716 /nfs/dbraw/zinc/33/27/16/408332716.db2.gz LHVUYHMFRNESIZ-UHFFFAOYSA-N 1 0 318.337 1.187 20 5 DDBDRO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176243171 408322841 /nfs/dbraw/zinc/32/28/41/408322841.db2.gz LEFSWTBBVJQSIH-GFCCVEGCSA-N 1 0 309.370 1.124 20 5 DDBDRO COCCC[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000263814168 408270260 /nfs/dbraw/zinc/27/02/60/408270260.db2.gz XRRSNVAETXESGT-UHFFFAOYSA-N 1 0 310.354 1.154 20 5 DDBDRO CCc1n[nH]c(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)c1[N+](=O)[O-] ZINC000246557415 408290012 /nfs/dbraw/zinc/29/00/12/408290012.db2.gz WLBDONHHXDRCQM-MWLCHTKSSA-N 1 0 309.370 1.339 20 5 DDBDRO C[N@@H+]1CCC[C@H]1CCN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000246889153 408360872 /nfs/dbraw/zinc/36/08/72/408360872.db2.gz IUDPJRCCILMRBC-KGLIPLIRSA-N 1 0 319.409 1.960 20 5 DDBDRO C[NH+](C)C[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000172207583 162264561 /nfs/dbraw/zinc/26/45/61/162264561.db2.gz BYGMNEFBOOXMNB-SECBINFHSA-N 1 0 319.408 1.229 20 5 DDBDRO CN(CC[N@H+](C)C1CC1)C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000274589219 408460054 /nfs/dbraw/zinc/46/00/54/408460054.db2.gz QHCFMPRSWOUXRW-UHFFFAOYSA-N 1 0 321.377 1.916 20 5 DDBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000176962911 408484982 /nfs/dbraw/zinc/48/49/82/408484982.db2.gz NNKANWZMAPSQKZ-GFCCVEGCSA-N 1 0 320.393 1.981 20 5 DDBDRO C[NH+](C)C[C@@H]1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000247532675 408488975 /nfs/dbraw/zinc/48/89/75/408488975.db2.gz XQLUZGQFTJQJEH-DZGCQCFKSA-N 1 0 323.393 1.218 20 5 DDBDRO C[N@@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])c(N)n2)[C@H]1c1ccccc1 ZINC000270338983 408493127 /nfs/dbraw/zinc/49/31/27/408493127.db2.gz ZBGUPNRJIBOLBA-DGCLKSJQSA-N 1 0 314.349 1.824 20 5 DDBDRO C[C@@H]1C[C@H](NC(=O)c2cccc([N+](=O)[O-])c2N)C[N@@H+]1C1CC1 ZINC000177121074 408525237 /nfs/dbraw/zinc/52/52/37/408525237.db2.gz UMKKDXRQWQXLLT-ZJUUUORDSA-N 1 0 304.350 1.532 20 5 DDBDRO COc1cc(C(=O)NC[C@H]2CCC[N@@H+]2C)cc([N+](=O)[O-])c1C ZINC000191714672 408474865 /nfs/dbraw/zinc/47/48/65/408474865.db2.gz AKFODJPOTGAIND-GFCCVEGCSA-N 1 0 307.350 1.736 20 5 DDBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2c2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000192150085 408550103 /nfs/dbraw/zinc/55/01/03/408550103.db2.gz XTDHZEGWSRCGDX-CHWSQXEVSA-N 1 0 318.377 1.614 20 5 DDBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)Nc3ccncc3[N+](=O)[O-])CC[C@H]21 ZINC000248406082 408560071 /nfs/dbraw/zinc/56/00/71/408560071.db2.gz SAYDBMBTINCZTD-DGCLKSJQSA-N 1 0 319.365 1.938 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@H]2c2ccncc2)c1 ZINC000270544549 408572779 /nfs/dbraw/zinc/57/27/79/408572779.db2.gz MBWJOXNFVCFQGS-CABCVRRESA-N 1 0 317.349 1.384 20 5 DDBDRO CNC(=O)c1ccc(N(C)C[C@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC000265186489 408573855 /nfs/dbraw/zinc/57/38/55/408573855.db2.gz GFRZAMPCXJTVIL-LBPRGKRZSA-N 1 0 320.393 1.732 20 5 DDBDRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)CCOc3ccccc3[N+](=O)[O-])C[C@H]12 ZINC000248689501 408616703 /nfs/dbraw/zinc/61/67/03/408616703.db2.gz XMQUSZXBTXSXTH-RWMBFGLXSA-N 1 0 319.361 1.559 20 5 DDBDRO COC(=O)[C@]1(C)CC[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000177470503 408630281 /nfs/dbraw/zinc/63/02/81/408630281.db2.gz IDTOGBIOVHPDBX-OAHLLOKOSA-N 1 0 308.334 1.988 20 5 DDBDRO COC(=O)[C@@]1(C)CC[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000177470489 408631209 /nfs/dbraw/zinc/63/12/09/408631209.db2.gz IDTOGBIOVHPDBX-HNNXBMFYSA-N 1 0 308.334 1.988 20 5 DDBDRO Cn1c(Sc2ccc([N+](=O)[O-])cn2)nnc1[C@@H]1CCC[NH2+]C1 ZINC000265496768 408673447 /nfs/dbraw/zinc/67/34/47/408673447.db2.gz WZRIYZDENKGBOP-SECBINFHSA-N 1 0 320.378 1.737 20 5 DDBDRO NC(=O)[C@H]1CCCC[C@@H]1[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000184790805 408691155 /nfs/dbraw/zinc/69/11/55/408691155.db2.gz KXIZSDHCPFEATD-KBPBESRZSA-N 1 0 307.350 1.607 20 5 DDBDRO CN(CC[N@H+](C)C1CC1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000185229609 408784093 /nfs/dbraw/zinc/78/40/93/408784093.db2.gz WFRYCQKBGNPREA-UHFFFAOYSA-N 1 0 313.379 1.310 20 5 DDBDRO C[NH+](C)C[C@@H]1CCCCN1C(=O)c1cccc([N+](=O)[O-])c1N ZINC000178192123 408786296 /nfs/dbraw/zinc/78/62/96/408786296.db2.gz BNTVLGJXGXXHDN-NSHDSACASA-N 1 0 306.366 1.733 20 5 DDBDRO CC[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)N1CCOCC1 ZINC000165010444 408806300 /nfs/dbraw/zinc/80/63/00/408806300.db2.gz ZERSQGHYVZLELA-SWLSCSKDSA-N 1 0 321.377 1.883 20 5 DDBDRO CC[C@@H]1CN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@@H]1O ZINC000270942885 408751501 /nfs/dbraw/zinc/75/15/01/408751501.db2.gz RSFKXYPVNIOLCV-MFKMUULPSA-N 1 0 318.333 1.848 20 5 DDBDRO O=C(C[C@@H]1CCC[NH2+]1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000194020479 408758736 /nfs/dbraw/zinc/75/87/36/408758736.db2.gz NAGOOKVCHCVUKW-ZDUSSCGKSA-N 1 0 318.377 1.386 20 5 DDBDRO CS[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N)C[C@@H]1[NH+](C)C ZINC000276421900 408855131 /nfs/dbraw/zinc/85/51/31/408855131.db2.gz XLIJFGYGNFCMGS-STQMWFEESA-N 1 0 324.406 1.295 20 5 DDBDRO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000286095778 408922803 /nfs/dbraw/zinc/92/28/03/408922803.db2.gz NJHBXOXQICRBMS-KKFJDGPESA-N 1 0 317.349 1.587 20 5 DDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000190739662 163156050 /nfs/dbraw/zinc/15/60/50/163156050.db2.gz DFKYKWUHFIDPKA-CYBMUJFWSA-N 1 0 303.362 1.880 20 5 DDBDRO COc1cccc2c1CC[N@H+](CCn1ccc([N+](=O)[O-])n1)CC2 ZINC000193725524 163265810 /nfs/dbraw/zinc/26/58/10/163265810.db2.gz BUFVJERXGQKPAP-UHFFFAOYSA-N 1 0 316.361 1.901 20 5 DDBDRO CC(C)C[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC1 ZINC000195320573 163317676 /nfs/dbraw/zinc/31/76/76/163317676.db2.gz LOZUKZIPHFUKFP-UHFFFAOYSA-N 1 0 322.365 1.546 20 5 DDBDRO CCOC(=O)[C@](C)(O)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292131709 408987460 /nfs/dbraw/zinc/98/74/60/408987460.db2.gz LGVRPAAZJIZIAI-OAHLLOKOSA-N 1 0 310.350 1.734 20 5 DDBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH+]3C[C@H](O)[C@@H](O)C3)o2)c1 ZINC000278418052 409083208 /nfs/dbraw/zinc/08/32/08/409083208.db2.gz RCPJGRSNNHCQJV-KBPBESRZSA-N 1 0 304.302 1.392 20 5 DDBDRO C[C@@H]1CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H](C)[N@H+]1C ZINC000293325948 409090215 /nfs/dbraw/zinc/09/02/15/409090215.db2.gz GERMDTZPVSWVJV-BETUJISGSA-N 1 0 320.393 1.948 20 5 DDBDRO C[C@@H]1CN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H](C)[N@H+]1C ZINC000293331383 409091522 /nfs/dbraw/zinc/09/15/22/409091522.db2.gz GNSGIIAPTLFDFG-VNHYZAJKSA-N 1 0 323.393 1.359 20 5 DDBDRO O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000293378796 409100860 /nfs/dbraw/zinc/10/08/60/409100860.db2.gz LGTUZSAFMLGLKF-RNCFNFMXSA-N 1 0 320.305 1.327 20 5 DDBDRO CC[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CCC(=O)OC ZINC000283337883 409140187 /nfs/dbraw/zinc/14/01/87/409140187.db2.gz PZMQCZOMCKIMGF-UHFFFAOYSA-N 1 0 323.349 1.808 20 5 DDBDRO C[C@@H](C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)CN1CCOCC1 ZINC000293632756 409151451 /nfs/dbraw/zinc/15/14/51/409151451.db2.gz HPTKDHJTWIFOBU-STQMWFEESA-N 1 0 322.409 1.796 20 5 DDBDRO C[C@@H]1CN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC[N@@H+](C2CCC2)C1 ZINC000293716421 409166602 /nfs/dbraw/zinc/16/66/02/409166602.db2.gz PBBIMZAVFRBVOD-LBPRGKRZSA-N 1 0 321.381 1.124 20 5 DDBDRO C[C@]1(C[NH3+])CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000262080644 163763679 /nfs/dbraw/zinc/76/36/79/163763679.db2.gz TWGLCBHGZUSNOF-OAHLLOKOSA-N 1 0 307.350 1.561 20 5 DDBDRO CC[NH+](CC)CCNC(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000280458218 409314673 /nfs/dbraw/zinc/31/46/73/409314673.db2.gz FJOALTCOTQCGRU-UHFFFAOYSA-N 1 0 309.366 1.740 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)C(C)(C)C(N)=O ZINC000295609640 409357393 /nfs/dbraw/zinc/35/73/93/409357393.db2.gz DBNLNCLSMBHLTG-UHFFFAOYSA-N 1 0 322.365 1.428 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000262773944 163877253 /nfs/dbraw/zinc/87/72/53/163877253.db2.gz MVYOTLNMBVMWBO-PWSUYJOCSA-N 1 0 313.379 1.180 20 5 DDBDRO C[C@@H]([N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-])C(C)(C)O ZINC000295223013 409383611 /nfs/dbraw/zinc/38/36/11/409383611.db2.gz VVKRZAWYDIXMDI-NEPJUHHUSA-N 1 0 312.366 1.426 20 5 DDBDRO C[C@H]([NH2+]CCCS(C)(=O)=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284980604 409388080 /nfs/dbraw/zinc/38/80/80/409388080.db2.gz GDEVYLMHVNGOFL-VIFPVBQESA-N 1 0 301.368 1.262 20 5 DDBDRO C[N@@H+]1CCO[C@H]2CCN(c3ccc([N+](=O)[O-])c(N)c3F)C[C@H]21 ZINC000285018792 409392901 /nfs/dbraw/zinc/39/29/01/409392901.db2.gz MRVRPDUFEFIHCA-NEPJUHHUSA-N 1 0 310.329 1.225 20 5 DDBDRO COc1cc(OCC(=O)N[C@H](C)CCC[NH3+])ccc1[N+](=O)[O-] ZINC000295295978 409418916 /nfs/dbraw/zinc/41/89/16/409418916.db2.gz USXSHMPZMRSAFJ-SNVBAGLBSA-N 1 0 311.338 1.226 20 5 DDBDRO COc1cc(C(=O)N[C@@H](C)CCC[NH3+])cc([N+](=O)[O-])c1OC ZINC000295302912 409422014 /nfs/dbraw/zinc/42/20/14/409422014.db2.gz VFYQJPXJJXJVNI-VIFPVBQESA-N 1 0 311.338 1.469 20 5 DDBDRO COc1cc(C(=O)NC[C@@H](C)C[NH+](C)C)c([N+](=O)[O-])cc1F ZINC000295362817 409450915 /nfs/dbraw/zinc/45/09/15/409450915.db2.gz PDPOUOMCUYCFEE-SECBINFHSA-N 1 0 313.329 1.670 20 5 DDBDRO C[C@@H]1CC(C)(C)C[C@](CO)([NH2+]CCn2cc([N+](=O)[O-])cn2)C1 ZINC000304716011 409641355 /nfs/dbraw/zinc/64/13/55/409641355.db2.gz NCYWBPXMDWMLAU-IUODEOHRSA-N 1 0 310.398 1.958 20 5 DDBDRO CNc1c(C(=O)N(C)CC[N@H+](C)C2CC2)cccc1[N+](=O)[O-] ZINC000354081300 409636741 /nfs/dbraw/zinc/63/67/41/409636741.db2.gz CVIOMBQOMYLJNB-UHFFFAOYSA-N 1 0 306.366 1.803 20 5 DDBDRO Cc1nn(CCC(=O)N2CC[N@@H+](C)[C@@H](C)[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000356835052 409646968 /nfs/dbraw/zinc/64/69/68/409646968.db2.gz BFTQUMIKABYBSH-NWDGAFQWSA-N 1 0 323.397 1.349 20 5 DDBDRO [NH3+]C1(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CCC1 ZINC000296863244 409672838 /nfs/dbraw/zinc/67/28/38/409672838.db2.gz PDGAMPOOIVLDBF-UHFFFAOYSA-N 1 0 319.361 1.846 20 5 DDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NCC2([NH3+])CCC2)cc1OC ZINC000342581437 409738885 /nfs/dbraw/zinc/73/88/85/409738885.db2.gz FIDZBROEMVNYKG-UHFFFAOYSA-N 1 0 323.349 1.613 20 5 DDBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000354441800 409859083 /nfs/dbraw/zinc/85/90/83/409859083.db2.gz WXDPGXVXYTWESE-NWDGAFQWSA-N 1 0 309.370 1.123 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)NC[C@@H](C)[NH+](C)C ZINC000297884285 410036471 /nfs/dbraw/zinc/03/64/71/410036471.db2.gz NPPOTOQNTXNLQS-LLVKDONJSA-N 1 0 322.365 1.216 20 5 DDBDRO CC(C)C[N@@H+]1CC[C@@H](CNc2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000357539618 410091465 /nfs/dbraw/zinc/09/14/65/410091465.db2.gz SPUCXKIPEOSMCA-NSHDSACASA-N 1 0 321.381 1.479 20 5 DDBDRO CC[N@@H+]1CC[C@@H]2OCCN(Cc3csc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000339396118 410158701 /nfs/dbraw/zinc/15/87/01/410158701.db2.gz TWECKCWIRXRMQP-OLZOCXBDSA-N 1 0 311.407 1.951 20 5 DDBDRO C[C@H]([NH3+])[C@H]1CCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000351865892 410304145 /nfs/dbraw/zinc/30/41/45/410304145.db2.gz POAKUUGHSFGIQQ-SRVKXCTJSA-N 1 0 306.366 1.591 20 5 DDBDRO C[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C[C@H]1CCCO1 ZINC000298719334 410367353 /nfs/dbraw/zinc/36/73/53/410367353.db2.gz KIHBIMCPHWAUKI-UKRRQHHQSA-N 1 0 310.350 1.445 20 5 DDBDRO COc1ccc(C(=O)NCC[N@H+]2CC=CCC2)cc1[N+](=O)[O-] ZINC000355365612 410471608 /nfs/dbraw/zinc/47/16/08/410471608.db2.gz NCBGZVZXQLOIRC-UHFFFAOYSA-N 1 0 305.334 1.595 20 5 DDBDRO C[C@@H]1[C@@H](NC(=O)CCNc2ccccc2[N+](=O)[O-])CCC[N@@H+]1C ZINC000343460457 410471799 /nfs/dbraw/zinc/47/17/99/410471799.db2.gz RVBOVKYMYFVITK-OLZOCXBDSA-N 1 0 320.393 1.996 20 5 DDBDRO C[C@@H]1C[C@@H](C(=O)NCCNc2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000358674459 410514867 /nfs/dbraw/zinc/51/48/67/410514867.db2.gz AKXHOMNDQODHKV-NEPJUHHUSA-N 1 0 306.366 1.511 20 5 DDBDRO Cc1ccc(C[NH+](C)C)cc1NC(=O)c1c([N+](=O)[O-])cnn1C ZINC000347431515 410544431 /nfs/dbraw/zinc/54/44/31/410544431.db2.gz OBUWYIGMQQRENA-UHFFFAOYSA-N 1 0 317.349 1.951 20 5 DDBDRO COC1CC([N@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000352214146 410556244 /nfs/dbraw/zinc/55/62/44/410556244.db2.gz YGYYFUSYZRVEEK-OWYJLGKBSA-N 1 0 310.350 1.444 20 5 DDBDRO NC(=O)c1cc([N+](=O)[O-])cnc1N1CCC([NH+]2CCCC2)CC1 ZINC000301066190 410649565 /nfs/dbraw/zinc/64/95/65/410649565.db2.gz CNAXVSUMCHGBQN-UHFFFAOYSA-N 1 0 319.365 1.153 20 5 DDBDRO C[NH+](C)CCn1nccc1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000359504051 410695303 /nfs/dbraw/zinc/69/53/03/410695303.db2.gz YWTQFJQBQOLPBV-UHFFFAOYSA-N 1 0 317.349 1.534 20 5 DDBDRO C[C@H]1[C@@H](NC(=O)NCCc2ccc([N+](=O)[O-])cc2)CCC[N@@H+]1C ZINC000343802150 410711317 /nfs/dbraw/zinc/71/13/17/410711317.db2.gz SORXJRVKRHHPSW-WFASDCNBSA-N 1 0 320.393 1.919 20 5 DDBDRO CS[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cnc2C)C[C@@H]1[NH+](C)C ZINC000330500931 410731610 /nfs/dbraw/zinc/73/16/10/410731610.db2.gz RWYCROKTSOGYGG-QWHCGFSZSA-N 1 0 324.406 1.416 20 5 DDBDRO CC[C@H](C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[NH+](CC)CC ZINC000359676985 410809453 /nfs/dbraw/zinc/80/94/53/410809453.db2.gz IADKAOZVLNFLHA-CYBMUJFWSA-N 1 0 319.365 2.530 20 5 DDBDRO CC[NH+](CC)[C@H]1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)C1 ZINC000301893921 410823063 /nfs/dbraw/zinc/82/30/63/410823063.db2.gz AULXCAUZDNBHQR-NSHDSACASA-N 1 0 304.354 1.558 20 5 DDBDRO C[C@H]([NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)C(=O)NCCF ZINC000337502576 410829680 /nfs/dbraw/zinc/82/96/80/410829680.db2.gz LYZYGLSHINKFSQ-FZMZJTMJSA-N 1 0 323.368 1.980 20 5 DDBDRO C[NH+](C)[C@@H]1CCCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000330632823 410842316 /nfs/dbraw/zinc/84/23/16/410842316.db2.gz IVCCKBRXZNREKO-LLVKDONJSA-N 1 0 309.370 1.079 20 5 DDBDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000330647656 410847904 /nfs/dbraw/zinc/84/79/04/410847904.db2.gz ZRWQHQLOOIBENL-NWDGAFQWSA-N 1 0 307.350 1.525 20 5 DDBDRO COc1cc(CN[C@@H]2CC[N@H+](C)[C@H](C)C2)c([N+](=O)[O-])cc1O ZINC000330679905 410872434 /nfs/dbraw/zinc/87/24/34/410872434.db2.gz YESWMKLXPYYBOU-ZYHUDNBSSA-N 1 0 309.366 1.881 20 5 DDBDRO Cc1ccnc(N(C)CCN2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000302856239 410876515 /nfs/dbraw/zinc/87/65/15/410876515.db2.gz LUQSRBLHOALPBN-BETUJISGSA-N 1 0 308.382 1.844 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)C1CC(O)C1 ZINC000353532578 411051625 /nfs/dbraw/zinc/05/16/25/411051625.db2.gz VMUVFXADYBMXSR-UHFFFAOYSA-N 1 0 323.349 1.387 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)N2CCC[C@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000331229619 411029737 /nfs/dbraw/zinc/02/97/37/411029737.db2.gz ZQVZXPGNUWEFGC-JTQLQIEISA-N 1 0 309.370 1.608 20 5 DDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@@H](O)[C@H]2CCOC2)n1 ZINC000580519634 422937632 /nfs/dbraw/zinc/93/76/32/422937632.db2.gz OMWDSLCVYMFTBU-IGQOVBAYSA-N 1 0 324.381 1.262 20 5 DDBDRO C[C@@H]1C[NH2+]C[C@H]1NC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC001120554493 782020545 /nfs/dbraw/zinc/02/05/45/782020545.db2.gz KJKOSIKJMBSDAP-DGCLKSJQSA-N 1 0 306.366 1.387 20 5 DDBDRO CC(C)(C)N1CC[C@@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1=O ZINC001120559202 782023130 /nfs/dbraw/zinc/02/31/30/782023130.db2.gz PDYWSSFQRWSUIO-KGLIPLIRSA-N 1 0 321.377 1.617 20 5 DDBDRO C[C@H]1C[C@@H](NC(=O)NCCc2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000417223072 225252754 /nfs/dbraw/zinc/25/27/54/225252754.db2.gz GDUUVIIXJLUDPQ-AAEUAGOBSA-N 1 0 306.366 1.577 20 5 DDBDRO [NH3+][C@H]1CCC[C@H](NC(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000417227136 225253298 /nfs/dbraw/zinc/25/32/98/225253298.db2.gz LIUAORLTORCQDJ-STQMWFEESA-N 1 0 306.366 1.706 20 5 DDBDRO C[NH2+]C[C@H](C)CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000154604706 221652579 /nfs/dbraw/zinc/65/25/79/221652579.db2.gz HLHKXNPEONPCMI-LBPRGKRZSA-N 1 0 320.393 1.780 20 5 DDBDRO O=C([C@@H]1C[C@@H]1[N+](=O)[O-])N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000373461926 418431926 /nfs/dbraw/zinc/43/19/26/418431926.db2.gz SIWSWKUMUOWVGP-QXSJWSMHSA-N 1 0 315.373 1.242 20 5 DDBDRO C[C@@H](CO)[N@@H+]1CCCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000373743604 418455747 /nfs/dbraw/zinc/45/57/47/418455747.db2.gz WYHCJROEHUIDRC-AWEZNQCLSA-N 1 0 323.393 1.362 20 5 DDBDRO CC[C@H]1CN(Cc2c([N+](=O)[O-])ncn2C)C[C@]2(CCOC2)O1 ZINC000373803671 418461747 /nfs/dbraw/zinc/46/17/47/418461747.db2.gz FAVJZPNZWXGHBT-FZMZJTMJSA-N 1 0 310.354 1.098 20 5 DDBDRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000183662426 221929741 /nfs/dbraw/zinc/92/97/41/221929741.db2.gz MAMNLMZYCPDXBX-NSHDSACASA-N 1 0 323.397 1.812 20 5 DDBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC(=O)NCC(F)F ZINC000360773343 418514557 /nfs/dbraw/zinc/51/45/57/418514557.db2.gz RJYDJAKLVLMKQR-BJMVGYQFSA-N 1 0 313.304 1.969 20 5 DDBDRO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000374408814 418526791 /nfs/dbraw/zinc/52/67/91/418526791.db2.gz AECGQQUZECDFDU-YHWZYXNKSA-N 1 0 318.377 1.878 20 5 DDBDRO CNc1c(C(=O)N[C@@H]2CCC[N@H+](C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000360931175 418549242 /nfs/dbraw/zinc/54/92/42/418549242.db2.gz MHWBMPPJSHRXCT-ZYHUDNBSSA-N 1 0 306.366 1.849 20 5 DDBDRO CC[C@H](CO)[NH+]1CCN(c2c([N+](=O)[O-])nc(C)n2CC)CC1 ZINC000360998208 418563386 /nfs/dbraw/zinc/56/33/86/418563386.db2.gz YUJVIVADEZDERU-GFCCVEGCSA-N 1 0 311.386 1.013 20 5 DDBDRO CCCn1ccnc1CCCN(C)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000192259534 222123772 /nfs/dbraw/zinc/12/37/72/222123772.db2.gz PRUVZGNVDFEVBG-UHFFFAOYSA-N 1 0 320.353 1.629 20 5 DDBDRO COc1ccc(C(=O)N[C@H]2C[C@H]2C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000361118350 418586419 /nfs/dbraw/zinc/58/64/19/418586419.db2.gz UNZDUTFOWYLZBI-STQMWFEESA-N 1 0 319.361 1.721 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)c1 ZINC000375011466 418586872 /nfs/dbraw/zinc/58/68/72/418586872.db2.gz FZGIKRQOISLMBE-KGLIPLIRSA-N 1 0 308.382 1.930 20 5 DDBDRO CNc1ncnc2c1cnn2Cc1c(F)cccc1[N+](=O)[O-] ZINC000194418807 222176394 /nfs/dbraw/zinc/17/63/94/222176394.db2.gz WGQLIAPGMIABLA-UHFFFAOYSA-N 1 0 302.269 1.964 20 5 DDBDRO C[N@@H+]1CC[C@H]2CCN(CCOc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000375034705 418591990 /nfs/dbraw/zinc/59/19/90/418591990.db2.gz DDUATUHTINATFK-DZGCQCFKSA-N 1 0 305.378 2.000 20 5 DDBDRO O=C1C[C@H]2CC[C@@H](CN1)[N@H+]2CCOc1ccc([N+](=O)[O-])cc1 ZINC000361341062 418630328 /nfs/dbraw/zinc/63/03/28/418630328.db2.gz LVJDGOOVZDMHCI-OLZOCXBDSA-N 1 0 305.334 1.327 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CC[C@H](n3cccn3)C2)c1 ZINC000368269710 418712491 /nfs/dbraw/zinc/71/24/91/418712491.db2.gz NADPGSWZQSMRDC-GJZGRUSLSA-N 1 0 302.334 1.772 20 5 DDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000358482522 418654581 /nfs/dbraw/zinc/65/45/81/418654581.db2.gz UTDDPDGSGVGCDW-UHFFFAOYSA-N 1 0 323.312 2.357 20 5 DDBDRO COc1cc(C[NH2+][C@H]2CCc3nc[nH]c3C2)c([N+](=O)[O-])cc1O ZINC000368087328 418688492 /nfs/dbraw/zinc/68/84/92/418688492.db2.gz ARNXLSWGIZQWHH-JTQLQIEISA-N 1 0 318.333 1.679 20 5 DDBDRO C[N@@H+]1CC[C@@H]2OCCN(c3nc4sccn4c3[N+](=O)[O-])[C@@H]2C1 ZINC000408028072 418782944 /nfs/dbraw/zinc/78/29/44/418782944.db2.gz CJENSKMOUNEANE-ZJUUUORDSA-N 1 0 323.378 1.213 20 5 DDBDRO C[NH+]1CCC(N(Cc2ccco2)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000364457671 418777468 /nfs/dbraw/zinc/77/74/68/418777468.db2.gz ORULYDCSLJEWTM-ZIAGYGMSSA-N 1 0 307.350 1.368 20 5 DDBDRO C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000364621814 418793966 /nfs/dbraw/zinc/79/39/66/418793966.db2.gz FBMXTYVBVSNCEX-HNCHTBHHSA-N 1 0 309.391 1.522 20 5 DDBDRO CC(C)(O)C[N@@H+]1CCCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000372545688 418881835 /nfs/dbraw/zinc/88/18/35/418881835.db2.gz JGUHMBNTWHZQQE-UHFFFAOYSA-N 1 0 321.421 1.916 20 5 DDBDRO Cc1c(NC(=O)C2C[C@@H]3C[NH2+]C[C@H](C2)C3=O)cccc1[N+](=O)[O-] ZINC000372104506 418836952 /nfs/dbraw/zinc/83/69/52/418836952.db2.gz YPXWXEIFBKDDAJ-YOGCLGLASA-N 1 0 317.345 1.656 20 5 DDBDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411430314 418903649 /nfs/dbraw/zinc/90/36/49/418903649.db2.gz OALBNPRODBTTJM-CHWSQXEVSA-N 1 0 320.393 1.948 20 5 DDBDRO C[N@H+](C[C@@H]1CC12CCN(C(=O)[C@H]1C[C@H]1[N+](=O)[O-])CC2)C1CC1 ZINC000372840208 418907308 /nfs/dbraw/zinc/90/73/08/418907308.db2.gz VWHYNTQPSQAING-FPMFFAJLSA-N 1 0 307.394 1.375 20 5 DDBDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000417930066 419393164 /nfs/dbraw/zinc/39/31/64/419393164.db2.gz AXEVGXFPBFMPOP-CHWSQXEVSA-N 1 0 306.366 1.706 20 5 DDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@H](C)C[C@H](CO)C1 ZINC000420933437 419365639 /nfs/dbraw/zinc/36/56/39/419365639.db2.gz FYGHRIPISSZYKS-UPJWGTAASA-N 1 0 321.377 1.872 20 5 DDBDRO Cc1c(CNC(=O)N2CC[NH2+][C@@H](C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000418082583 419520580 /nfs/dbraw/zinc/52/05/80/419520580.db2.gz QQILTMJZPHTKSP-NWDGAFQWSA-N 1 0 306.366 1.795 20 5 DDBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000421701626 419689410 /nfs/dbraw/zinc/68/94/10/419689410.db2.gz HZVJSHWLYFUTMT-ZDUSSCGKSA-N 1 0 307.350 1.526 20 5 DDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000430547989 228919764 /nfs/dbraw/zinc/91/97/64/228919764.db2.gz LUCNGJPFOKZMCO-BZPMIXESSA-N 1 0 318.377 1.748 20 5 DDBDRO CC(C)(NC(=O)NC[C@H]([NH3+])C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000418497416 419835216 /nfs/dbraw/zinc/83/52/16/419835216.db2.gz JYIZUKKQCGJLTD-ZDUSSCGKSA-N 1 0 306.366 1.866 20 5 DDBDRO Cc1n[nH]c(C(=O)N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000299578641 229227136 /nfs/dbraw/zinc/22/71/36/229227136.db2.gz XEDPTULILQQYAX-GARJFASQSA-N 1 0 323.397 1.723 20 5 DDBDRO Cn1ccnc1[C@@H](NC[C@@H]1CCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000423233878 419993199 /nfs/dbraw/zinc/99/31/99/419993199.db2.gz KQIWGKWEBSIXPO-ZFWWWQNUSA-N 1 0 315.377 1.759 20 5 DDBDRO C[C@@H]([NH3+])[C@@H](C)NC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000418713391 419945757 /nfs/dbraw/zinc/94/57/57/419945757.db2.gz XWZGUQWVMDQKJL-VXGBXAGGSA-N 1 0 321.381 1.162 20 5 DDBDRO C[C@H]1C[C@H]1[N@@H+]1CCN(CCn2cc([N+](=O)[O-])cn2)C[C@@H](C)C1 ZINC000428988701 419958402 /nfs/dbraw/zinc/95/84/02/419958402.db2.gz ARZCVJZOSYXDDJ-VNHYZAJKSA-N 1 0 307.398 1.453 20 5 DDBDRO [NH3+]Cc1cn([C@@H]2CCCN(Cc3cccc([N+](=O)[O-])c3)C2)nn1 ZINC000415135512 419961037 /nfs/dbraw/zinc/96/10/37/419961037.db2.gz WSFOQLKRFPNEHG-OAHLLOKOSA-N 1 0 316.365 1.482 20 5 DDBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H](C2CC2)[C@@H]2CNCCO2)cc1 ZINC000422733281 419965928 /nfs/dbraw/zinc/96/59/28/419965928.db2.gz AURLRQASOFLVHM-HOTGVXAUSA-N 1 0 305.378 1.494 20 5 DDBDRO C[NH2+]C[C@@H](C)CNC(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1 ZINC000429222102 419987776 /nfs/dbraw/zinc/98/77/76/419987776.db2.gz UNSBOYABWIMFDY-SECBINFHSA-N 1 0 311.338 1.197 20 5 DDBDRO Cn1ccnc1[C@H](NC[C@H]([NH3+])C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000423317833 420011766 /nfs/dbraw/zinc/01/17/66/420011766.db2.gz KRJPNVPFUBXPNS-LSDHHAIUSA-N 1 0 315.377 1.745 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])c(N2C[C@H](C)[N@@H+](CCO)C[C@H]2C)n1 ZINC000418994794 420041096 /nfs/dbraw/zinc/04/10/96/420041096.db2.gz IEJFYMGDEXZMRF-QWHCGFSZSA-N 1 0 308.382 1.498 20 5 DDBDRO COc1cc(C(=O)N2CC[NH2+][C@@H](C)[C@H]2C)cc([N+](=O)[O-])c1C ZINC000423606365 420096859 /nfs/dbraw/zinc/09/68/59/420096859.db2.gz KCVYIMWSWXVXJH-WDEREUQCSA-N 1 0 307.350 1.734 20 5 DDBDRO Cc1ccc(NC(=O)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000415649200 420136461 /nfs/dbraw/zinc/13/64/61/420136461.db2.gz PJMUTBQTAGAGEO-QWRGUYRKSA-N 1 0 320.349 1.228 20 5 DDBDRO COc1ccc(NC(=O)N[C@H]2CC[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC000415447143 420070875 /nfs/dbraw/zinc/07/08/75/420070875.db2.gz UDUXHLREVJLTTC-KOLCDFICSA-N 1 0 308.338 1.723 20 5 DDBDRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000415481451 420084015 /nfs/dbraw/zinc/08/40/15/420084015.db2.gz AQNAFACLLVSLDY-LBPRGKRZSA-N 1 0 320.349 1.052 20 5 DDBDRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000415491902 420088845 /nfs/dbraw/zinc/08/88/45/420088845.db2.gz DVORXZLZTHEVLW-LBPRGKRZSA-N 1 0 322.365 1.475 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[NH2+]C[C@](C)(F)C1 ZINC000420324039 420207386 /nfs/dbraw/zinc/20/73/86/420207386.db2.gz ANYKXMZWBUXHDL-HNNXBMFYSA-N 1 0 324.356 1.475 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000420328779 420211998 /nfs/dbraw/zinc/21/19/98/420211998.db2.gz FRXCGPSOKZZVKF-WCQYABFASA-N 1 0 320.393 1.901 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000430578807 420145269 /nfs/dbraw/zinc/14/52/69/420145269.db2.gz FRQPCJCWWKIWLQ-CHWSQXEVSA-N 1 0 320.393 1.901 20 5 DDBDRO C[C@](C[NH3+])(NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CC1 ZINC000430591062 420149464 /nfs/dbraw/zinc/14/94/64/420149464.db2.gz MTMJQBIDXWMJBF-OAHLLOKOSA-N 1 0 317.349 1.862 20 5 DDBDRO COc1ccc(NC(=O)CN2CCC[C@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000430627075 420162827 /nfs/dbraw/zinc/16/28/27/420162827.db2.gz MBTHSJVIWSNKBT-LLVKDONJSA-N 1 0 322.365 1.213 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000415790292 420178423 /nfs/dbraw/zinc/17/84/23/420178423.db2.gz RLWCQQMYWRVKSK-NXEZZACHSA-N 1 0 308.338 1.002 20 5 DDBDRO C[NH2+]CC1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000430958724 420224458 /nfs/dbraw/zinc/22/44/58/420224458.db2.gz ZEFJSLVWMFWLED-UHFFFAOYSA-N 1 0 320.393 1.773 20 5 DDBDRO [NH3+][C@H]1CCCCCC[C@H]1C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000423902401 420254713 /nfs/dbraw/zinc/25/47/13/420254713.db2.gz LZNCFHYMRRALDW-OLZOCXBDSA-N 1 0 309.370 1.205 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@H](C)[NH2+]C[C@@H]1C ZINC000420392139 420259111 /nfs/dbraw/zinc/25/91/11/420259111.db2.gz IZKUUCACPDDWLX-STQMWFEESA-N 1 0 320.393 1.914 20 5 DDBDRO Cc1c(NC(=O)CCN2C[C@H](C)[NH2+]C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000420404734 420264622 /nfs/dbraw/zinc/26/46/22/420264622.db2.gz SKEQMWILFOMICU-RYUDHWBXSA-N 1 0 320.393 1.914 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC[C@H]([NH3+])[C@@H]2C)c1 ZINC000420432168 420282236 /nfs/dbraw/zinc/28/22/36/420282236.db2.gz PCJUULJVGHRLKZ-QWRGUYRKSA-N 1 0 313.379 1.322 20 5 DDBDRO Cc1ccc(C)c(S(=O)(=O)N[C@@H](C)[C@H](C)[NH3+])c1[N+](=O)[O-] ZINC000420435417 420283705 /nfs/dbraw/zinc/28/37/05/420283705.db2.gz GSRNSLLHCNDJBK-UWVGGRQHSA-N 1 0 301.368 1.226 20 5 DDBDRO [NH3+][C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)C[C@H]1c1cccc(F)c1 ZINC000424013995 420306575 /nfs/dbraw/zinc/30/65/75/420306575.db2.gz SLUCRCOGEKGJII-NWDGAFQWSA-N 1 0 319.292 1.894 20 5 DDBDRO CO[C@H]1CCCC[C@@H]1[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000441241942 229878448 /nfs/dbraw/zinc/87/84/48/229878448.db2.gz DTWXXFHNZAQYET-BPUTZDHNSA-N 1 0 324.377 1.882 20 5 DDBDRO CN1C(=O)NCC12CC[NH+](Cc1cccc([N+](=O)[O-])c1)CC2 ZINC000425370393 420365923 /nfs/dbraw/zinc/36/59/23/420365923.db2.gz JCHLPPIOUUEKIL-UHFFFAOYSA-N 1 0 304.350 1.584 20 5 DDBDRO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000443867432 230034380 /nfs/dbraw/zinc/03/43/80/230034380.db2.gz JEENEEIHQQOSEU-ZDUSSCGKSA-N 1 0 322.365 1.250 20 5 DDBDRO CC[C@](C)(C(=O)OC)[N@H+](CCn1ccc([N+](=O)[O-])n1)CC1CC1 ZINC000425513150 420405671 /nfs/dbraw/zinc/40/56/71/420405671.db2.gz OJKCMTMFWWXJOJ-OAHLLOKOSA-N 1 0 324.381 1.845 20 5 DDBDRO Cc1cc(S(=O)(=O)N[C@H]2CCC[C@@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000445560749 230183791 /nfs/dbraw/zinc/18/37/91/230183791.db2.gz ZXGSWIXXROIGCA-MNOVXSKESA-N 1 0 313.379 1.451 20 5 DDBDRO C[C@H]1C[C@H](C[NH3+])CN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000447246458 230348095 /nfs/dbraw/zinc/34/80/95/230348095.db2.gz OSPVXTODOBEUKQ-JGVFFNPUSA-N 1 0 305.381 1.014 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1C[C@H]([NH3+])[C@@H](C)C1 ZINC000447245208 230348922 /nfs/dbraw/zinc/34/89/22/230348922.db2.gz CRPYTBURVHFXAK-JQWIXIFHSA-N 1 0 313.379 1.179 20 5 DDBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)NC1CC[NH2+]CC1 ZINC000417724878 420461618 /nfs/dbraw/zinc/46/16/18/420461618.db2.gz ZOLQQLHFXHQVCY-UHFFFAOYSA-N 1 0 320.393 1.969 20 5 DDBDRO C[NH2+]C[C@@H]1CCCN(C(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000417763461 420471806 /nfs/dbraw/zinc/47/18/06/420471806.db2.gz KOPLAMFNMJVMOY-ZDUSSCGKSA-N 1 0 320.393 1.778 20 5 DDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000417773501 420475030 /nfs/dbraw/zinc/47/50/30/420475030.db2.gz XHMJIPHNVRETOQ-ZIAGYGMSSA-N 1 0 318.377 1.388 20 5 DDBDRO Cc1ccc(S(=O)(=O)N[C@H]2CC[NH2+]C[C@H]2C)c([N+](=O)[O-])c1 ZINC000440799997 420607682 /nfs/dbraw/zinc/60/76/82/420607682.db2.gz DFSJXNLOPOAKKV-MNOVXSKESA-N 1 0 313.379 1.180 20 5 DDBDRO C[C@@H]1[C@H](C)[NH2+]CCN1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000440801871 420608982 /nfs/dbraw/zinc/60/89/82/420608982.db2.gz BKSMJPHJOMHFBB-WDEREUQCSA-N 1 0 313.379 1.107 20 5 DDBDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000457094617 420609633 /nfs/dbraw/zinc/60/96/33/420609633.db2.gz OUNWPHHDRXKANG-JTQLQIEISA-N 1 0 307.354 1.127 20 5 DDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)s1 ZINC000440412858 420574495 /nfs/dbraw/zinc/57/44/95/420574495.db2.gz LZHSDCKVBPZQLI-BDAKNGLRSA-N 1 0 317.392 1.171 20 5 DDBDRO Cc1cc(S(=O)(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000440441134 420576735 /nfs/dbraw/zinc/57/67/35/420576735.db2.gz NJOZHUYGCVZUDQ-ZYHUDNBSSA-N 1 0 313.379 1.261 20 5 DDBDRO COc1cc(C[N@@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000493359145 420828871 /nfs/dbraw/zinc/82/88/71/420828871.db2.gz QXIXAYAQGZHVCI-NEPJUHHUSA-N 1 0 321.333 1.534 20 5 DDBDRO C[NH2+]C[C@H]1CCN(C(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000493700178 420919018 /nfs/dbraw/zinc/91/90/18/420919018.db2.gz ZYOKKYMBYSJQBL-USEMIUTHSA-N 1 0 307.325 1.815 20 5 DDBDRO CO[C@@H]1COC[C@@H]1[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000459828475 420885421 /nfs/dbraw/zinc/88/54/21/420885421.db2.gz OGUZSBBTFINRJL-UONOGXRCSA-N 1 0 323.349 1.235 20 5 DDBDRO [NH3+]C1CCC(OCC(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000449098990 420949140 /nfs/dbraw/zinc/94/91/40/420949140.db2.gz LTRZHYCUPLJIAB-UHFFFAOYSA-N 1 0 321.377 1.540 20 5 DDBDRO C[C@H]1CC[N@H+](CCNC(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000525291586 421285548 /nfs/dbraw/zinc/28/55/48/421285548.db2.gz KMTVASBYQLHLIX-ZDUSSCGKSA-N 1 0 320.393 1.855 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CC[C@H]3CCCO3)CC2)cn1 ZINC000526058572 421327187 /nfs/dbraw/zinc/32/71/87/421327187.db2.gz BZULSBGECWBIGO-CQSZACIVSA-N 1 0 306.366 1.681 20 5 DDBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000562977504 421434273 /nfs/dbraw/zinc/43/42/73/421434273.db2.gz ASIICEDXDSLHOR-TVLCNXBWSA-N 1 0 321.333 1.440 20 5 DDBDRO O=C(c1c[nH]nc1[N+](=O)[O-])N1CCC[N@@H+](C2CCCC2)CC1 ZINC000548420030 421435349 /nfs/dbraw/zinc/43/53/49/421435349.db2.gz BBWWAFPKCVDOEV-UHFFFAOYSA-N 1 0 307.354 1.408 20 5 DDBDRO CC[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000563159604 421465288 /nfs/dbraw/zinc/46/52/88/421465288.db2.gz GNWRJKYGQQYZNG-QWHCGFSZSA-N 1 0 304.350 1.263 20 5 DDBDRO COc1ccc(C[N@H+](C)[C@@H]2CCC(=O)N(C)C2)cc1[N+](=O)[O-] ZINC000563363914 421493653 /nfs/dbraw/zinc/49/36/53/421493653.db2.gz NABPMAOJBBGZCZ-GFCCVEGCSA-N 1 0 307.350 1.656 20 5 DDBDRO CN1C(=O)CC[C@@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1=O ZINC000563419155 421505629 /nfs/dbraw/zinc/50/56/29/421505629.db2.gz SXAFPUZMEGDBQZ-VXGBXAGGSA-N 1 0 303.318 1.319 20 5 DDBDRO C[N@@H+]1CC[C@@H](C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000551892048 421550243 /nfs/dbraw/zinc/55/02/43/421550243.db2.gz BTGPGJFKHKATMS-SECBINFHSA-N 1 0 303.322 1.039 20 5 DDBDRO CNc1nccc(C(=O)N2CCCC[C@H]2C[NH+](C)C)c1[N+](=O)[O-] ZINC000565182581 421596682 /nfs/dbraw/zinc/59/66/82/421596682.db2.gz SNGHGAIJLNFLPN-NSHDSACASA-N 1 0 321.381 1.588 20 5 DDBDRO CNc1ccc(C(=O)N2CC[N@H+](C)CC[C@H]2C)cc1[N+](=O)[O-] ZINC000522188789 421818957 /nfs/dbraw/zinc/81/89/57/421818957.db2.gz IPOGNXAPVPBNEK-LLVKDONJSA-N 1 0 306.366 1.803 20 5 DDBDRO C[N@@H+]1CCCC12CCN(c1nccc(C(N)=O)c1[N+](=O)[O-])CC2 ZINC000573890020 422032809 /nfs/dbraw/zinc/03/28/09/422032809.db2.gz ATHILNXILFRXSX-UHFFFAOYSA-N 1 0 319.365 1.153 20 5 DDBDRO CNc1ccc(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1[N+](=O)[O-] ZINC000574916052 422216193 /nfs/dbraw/zinc/21/61/93/422216193.db2.gz VPPXWTJWVMGNJJ-BETUJISGSA-N 1 0 318.377 1.708 20 5 DDBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000594591227 422351773 /nfs/dbraw/zinc/35/17/73/422351773.db2.gz IHRIXKCGSOYKKG-UPJWGTAASA-N 1 0 308.382 2.208 20 5 DDBDRO O=C(C[C@@H]1CCC[NH2+]1)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000577175106 422382097 /nfs/dbraw/zinc/38/20/97/422382097.db2.gz FCMIBEALMSTXHW-NSHDSACASA-N 1 0 315.333 2.066 20 5 DDBDRO C[NH+](C)C[C@H](CO)Nc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000589101722 422316969 /nfs/dbraw/zinc/31/69/69/422316969.db2.gz JBUIFNTVZQZLKV-CYBMUJFWSA-N 1 0 316.361 1.991 20 5 DDBDRO C[NH+](C)[C@H](CNc1ccc(N)c([N+](=O)[O-])n1)c1ccc(F)cc1 ZINC000590574175 422320407 /nfs/dbraw/zinc/32/04/07/422320407.db2.gz CZGBUAZHZSNEBL-CYBMUJFWSA-N 1 0 319.340 2.426 20 5 DDBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC(CC[NH3+])CC1 ZINC000575755696 422323101 /nfs/dbraw/zinc/32/31/01/422323101.db2.gz WHUMTICJMDKWHN-GFCCVEGCSA-N 1 0 320.393 1.983 20 5 DDBDRO COc1ccc(CC(=O)N2CC[C@H]([NH3+])C[C@H]2C)cc1[N+](=O)[O-] ZINC000577861557 422445258 /nfs/dbraw/zinc/44/52/58/422445258.db2.gz FGSCWLNBHMETGT-PWSUYJOCSA-N 1 0 307.350 1.484 20 5 DDBDRO Cc1ccc(NCCCNC(=O)CCCC[NH3+])c([N+](=O)[O-])c1 ZINC000578190555 422517991 /nfs/dbraw/zinc/51/79/91/422517991.db2.gz RHYHJBLSZQUGLC-UHFFFAOYSA-N 1 0 308.382 1.950 20 5 DDBDRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000578246515 422533345 /nfs/dbraw/zinc/53/33/45/422533345.db2.gz UJUMLYVEJWEVMW-NSHDSACASA-N 1 0 323.397 1.812 20 5 DDBDRO CC(C)(C(=O)NCC1([NH3+])CCCCCC1)n1cc([N+](=O)[O-])cn1 ZINC000236703040 263556447 /nfs/dbraw/zinc/55/64/47/263556447.db2.gz WNLUSFKQXIPNBW-UHFFFAOYSA-N 1 0 323.397 1.694 20 5 DDBDRO CN(CCC[NH3+])C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000644067948 423471799 /nfs/dbraw/zinc/47/17/99/423471799.db2.gz RWORHBKCWQAWRC-UHFFFAOYSA-N 1 0 323.396 1.962 20 5 DDBDRO C[C@H]1[C@H](NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CCC[N@@H+]1C ZINC000344414493 272019758 /nfs/dbraw/zinc/01/97/58/272019758.db2.gz AVDLWQIOGHIUDB-GXFFZTMASA-N 1 0 320.349 1.132 20 5 DDBDRO CCN1CC[NH+](C[C@H](C)CNc2ccc([N+](=O)[O-])nc2)CC1 ZINC000344416435 272020815 /nfs/dbraw/zinc/02/08/15/272020815.db2.gz JDYZOXRTRCPRKI-CYBMUJFWSA-N 1 0 307.398 1.675 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)n1 ZINC000344738696 272105512 /nfs/dbraw/zinc/10/55/12/272105512.db2.gz ZSXYMHLSRLKIHT-LBPRGKRZSA-N 1 0 323.397 1.661 20 5 DDBDRO C[C@@H](O)C[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000281367901 274267748 /nfs/dbraw/zinc/26/77/48/274267748.db2.gz OICSYSOMQITISU-LLVKDONJSA-N 1 0 319.365 1.364 20 5 DDBDRO C[C@H](CC[NH3+])NS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000440860253 274476709 /nfs/dbraw/zinc/47/67/09/274476709.db2.gz OHDHHFOHSBWEKQ-SECBINFHSA-N 1 0 324.362 1.159 20 5 DDBDRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000423545354 274564863 /nfs/dbraw/zinc/56/48/63/274564863.db2.gz AWAYNVVSOUDYEY-GWCFXTLKSA-N 1 0 314.345 1.871 20 5 DDBDRO CCS(=O)(=O)NCC[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449105587 280026674 /nfs/dbraw/zinc/02/66/74/280026674.db2.gz ZBTWTBNZXWKJQH-LLVKDONJSA-N 1 0 315.395 1.055 20 5 DDBDRO [NH3+]C[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000089108023 295248770 /nfs/dbraw/zinc/24/87/70/295248770.db2.gz WFFJGHNMYSICLI-GWCFXTLKSA-N 1 0 313.379 1.391 20 5 DDBDRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000573000057 304569071 /nfs/dbraw/zinc/56/90/71/304569071.db2.gz KRMLSCXMIKFFDZ-NXEZZACHSA-N 1 0 321.333 1.223 20 5 DDBDRO COc1cc(CN2CCOC[C@@H]2C[C@H](C)O)ccc1[N+](=O)[O-] ZINC000362276582 300041917 /nfs/dbraw/zinc/04/19/17/300041917.db2.gz CUPSXDBUDQJETG-AAEUAGOBSA-N 1 0 310.350 1.575 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000363103381 300211181 /nfs/dbraw/zinc/21/11/81/300211181.db2.gz HVEBEGFFEYNWLO-KBPBESRZSA-N 1 0 319.361 1.496 20 5 DDBDRO NC(=O)c1ccc(N2CC[C@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000364064141 300340206 /nfs/dbraw/zinc/34/02/06/300340206.db2.gz AOYAEBARVUSINH-LBPRGKRZSA-N 1 0 304.350 1.368 20 5 DDBDRO O=C(CNc1ccccc1[N+](=O)[O-])N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000364082710 300342043 /nfs/dbraw/zinc/34/20/43/300342043.db2.gz JVISESNRMSOMRT-CHWSQXEVSA-N 1 0 318.377 1.750 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)COc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000368587932 301059147 /nfs/dbraw/zinc/05/91/47/301059147.db2.gz BUQQVMYWXKYPHJ-OCCSQVGLSA-N 1 0 319.361 1.526 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC000368823602 301092826 /nfs/dbraw/zinc/09/28/26/301092826.db2.gz NTBQYUBZMUJDOX-UHFFFAOYSA-N 1 0 321.381 1.092 20 5 DDBDRO O=[N+]([O-])c1ccccc1CN1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000369282392 301156221 /nfs/dbraw/zinc/15/62/21/301156221.db2.gz ZUHJQAROACAONE-HZPDHXFCSA-N 1 0 305.378 1.626 20 5 DDBDRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000369709209 301214961 /nfs/dbraw/zinc/21/49/61/301214961.db2.gz CHJBGEOSVBZVHU-RBSFLKMASA-N 1 0 303.362 1.385 20 5 DDBDRO COc1ccc(OCC[N@@H+]2CC[C@](O)(C3CC3)C2)c([N+](=O)[O-])c1 ZINC000370083098 301272534 /nfs/dbraw/zinc/27/25/34/301272534.db2.gz PLMWZWPMACITSL-MRXNPFEDSA-N 1 0 322.361 1.829 20 5 DDBDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531883056 303263250 /nfs/dbraw/zinc/26/32/50/303263250.db2.gz WWQKNFXOOYARCJ-VXGBXAGGSA-N 1 0 306.366 1.983 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H]1CN(C)CCN1C ZINC000531970541 303268309 /nfs/dbraw/zinc/26/83/09/303268309.db2.gz CRTUHCUNKJGXHM-UKRRQHHQSA-N 1 0 306.410 1.800 20 5 DDBDRO CS[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cn2C)C[C@@H]1[NH+](C)C ZINC000537924110 303381520 /nfs/dbraw/zinc/38/15/20/303381520.db2.gz OXSAQPAMUYJVCA-RYUDHWBXSA-N 1 0 312.395 1.051 20 5 DDBDRO COC(=O)CCC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000553596366 303680094 /nfs/dbraw/zinc/68/00/94/303680094.db2.gz UMFGQOCLGMFTSU-UHFFFAOYSA-N 1 0 309.322 1.466 20 5 DDBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](C)S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000358261584 306936880 /nfs/dbraw/zinc/93/68/80/306936880.db2.gz YPNBANBJPROIGD-MNOVXSKESA-N 1 0 300.380 1.987 20 5 DDBDRO CC(C)(C)OC(=O)[C@@](C)(O)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000362091459 307014268 /nfs/dbraw/zinc/01/42/68/307014268.db2.gz VFECQNUTZRVIQP-HNNXBMFYSA-N 1 0 310.350 1.777 20 5 DDBDRO O=[N+]([O-])c1ccc(F)cc1CN1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000363526831 307030392 /nfs/dbraw/zinc/03/03/92/307030392.db2.gz HAKGWFHOFFCJFV-HZPDHXFCSA-N 1 0 323.368 1.765 20 5 DDBDRO CCC[N@@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000364443154 307045603 /nfs/dbraw/zinc/04/56/03/307045603.db2.gz HVOZVJCTUQGROG-UHFFFAOYSA-N 1 0 306.366 1.735 20 5 DDBDRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)[C@H]3C[C@H]3[N+](=O)[O-])C2)CC1 ZINC000364485934 307046432 /nfs/dbraw/zinc/04/64/32/307046432.db2.gz SKMBJLXENRHXNE-SOUVJXGZSA-N 1 0 309.410 1.622 20 5 DDBDRO C[NH+](C)[C@@H]1CCCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000365404462 307066702 /nfs/dbraw/zinc/06/67/02/307066702.db2.gz PZIINUCMQYKYJT-CQSZACIVSA-N 1 0 320.393 1.610 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000366304616 307070405 /nfs/dbraw/zinc/07/04/05/307070405.db2.gz ANBYSSWQTDZQJO-ZKYQVNSYSA-N 1 0 317.345 1.559 20 5 DDBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000368532932 307104618 /nfs/dbraw/zinc/10/46/18/307104618.db2.gz RNWZKSJSNFMRTF-UONOGXRCSA-N 1 0 306.366 1.334 20 5 DDBDRO Nc1c(C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc(F)cc1[N+](=O)[O-] ZINC000368613658 307106393 /nfs/dbraw/zinc/10/63/93/307106393.db2.gz NULJHQLIQYWKMX-AXTRIDKLSA-N 1 0 322.340 1.516 20 5 DDBDRO Cc1nn(C)c(C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1[N+](=O)[O-] ZINC000371226769 307145446 /nfs/dbraw/zinc/14/54/46/307145446.db2.gz CKRJXSXAYPGWJR-RYUDHWBXSA-N 1 0 321.381 1.241 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@H]2CCCC[C@@H]2N2CCOCC2)c1 ZINC000373116039 307179397 /nfs/dbraw/zinc/17/93/97/307179397.db2.gz RFDQRMSYIZDFNL-CABCVRRESA-N 1 0 323.397 1.024 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@](O)(c3ccc(F)cc3)C2)c1 ZINC000375962493 307236159 /nfs/dbraw/zinc/23/61/59/307236159.db2.gz OITWEWJVHKYBFR-OAHLLOKOSA-N 1 0 320.324 1.524 20 5 DDBDRO Cc1ncccc1O[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000375976406 307237330 /nfs/dbraw/zinc/23/73/30/307237330.db2.gz PAMCZJSOBSAGQH-CQSZACIVSA-N 1 0 317.349 1.648 20 5 DDBDRO Cc1ccc(NC(=O)C(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000415571464 307299120 /nfs/dbraw/zinc/29/91/20/307299120.db2.gz MPKMUFQQKLEHIA-MNOVXSKESA-N 1 0 320.349 1.037 20 5 DDBDRO [NH3+]C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CCCO1 ZINC000424017954 307301119 /nfs/dbraw/zinc/30/11/19/307301119.db2.gz HNTMRGZECVNULX-JTQLQIEISA-N 1 0 313.741 1.438 20 5 DDBDRO CC[NH+]1CCN(CC(C)(C)Nc2c([N+](=O)[O-])ncn2C)CC1 ZINC000450925299 307306404 /nfs/dbraw/zinc/30/64/04/307306404.db2.gz XYKLHDZOKVNLHH-UHFFFAOYSA-N 1 0 310.402 1.156 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CCc2ccccn2)c1 ZINC000551974817 307813053 /nfs/dbraw/zinc/81/30/53/307813053.db2.gz LNFQIFQDKBBNPG-OAHLLOKOSA-N 1 0 317.345 1.562 20 5 DDBDRO C[C@@H]1CC([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000562991956 307951693 /nfs/dbraw/zinc/95/16/93/307951693.db2.gz UAQHRRLWUBJNSR-YRGRVCCFSA-N 1 0 324.377 1.880 20 5 DDBDRO CC[NH+](CC)CCn1nc(-c2ccccc2[N+](=O)[O-])oc1=O ZINC000566796112 308063785 /nfs/dbraw/zinc/06/37/85/308063785.db2.gz KMYWQTJSCVTUKG-UHFFFAOYSA-N 1 0 306.322 1.753 20 5 DDBDRO [NH3+]C[C@H]1CCCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000566974302 308067520 /nfs/dbraw/zinc/06/75/20/308067520.db2.gz QWDWDYHWCKOUHO-LLVKDONJSA-N 1 0 317.349 1.816 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CCC[C@@H]1CCOC1 ZINC000567696922 308091682 /nfs/dbraw/zinc/09/16/82/308091682.db2.gz KUOKMQHYPQMSGF-KGLIPLIRSA-N 1 0 324.377 1.741 20 5 DDBDRO [NH3+]CC12CCC(CC1)CN2C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000567745142 308093861 /nfs/dbraw/zinc/09/38/61/308093861.db2.gz DWBMASAAVNLIRX-UHFFFAOYSA-N 1 0 318.377 1.737 20 5 DDBDRO CC(C)(C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccn1 ZINC000573597826 308246272 /nfs/dbraw/zinc/24/62/72/308246272.db2.gz WLWJHVHEJRNHGX-ZDUSSCGKSA-N 1 0 319.365 1.115 20 5 DDBDRO C[C@@H](CCCC(F)(F)F)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000575175115 308271716 /nfs/dbraw/zinc/27/17/16/308271716.db2.gz FRAWYHSRFUDTQS-ONGXEEELSA-N 1 0 324.303 1.863 20 5 DDBDRO [NH3+]C[C@H]1CCCN(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000576848618 308344616 /nfs/dbraw/zinc/34/46/16/308344616.db2.gz GWKOTRDZWPVAEP-GFCCVEGCSA-N 1 0 322.365 1.354 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C2CC(c3ccccc3)C2)c1 ZINC000577275056 308375943 /nfs/dbraw/zinc/37/59/43/308375943.db2.gz HZZAAYSJRAXKKR-ZBCRRDGASA-N 1 0 316.361 1.688 20 5 DDBDRO CS(=O)(=O)c1cccc(N[C@H]2CC[C@@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC000382462645 325745340 /nfs/dbraw/zinc/74/53/40/325745340.db2.gz XJCVCFJPPZERNJ-ZJUUUORDSA-N 1 0 313.379 1.538 20 5 DDBDRO CC[NH2+]CCCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000582359225 326018736 /nfs/dbraw/zinc/01/87/36/326018736.db2.gz YVNWZGFAZXEBNI-UHFFFAOYSA-N 1 0 309.322 1.095 20 5 DDBDRO [NH3+]CC1(O)CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000397065848 337245673 /nfs/dbraw/zinc/24/56/73/337245673.db2.gz ICTPJGZKPRCROH-UHFFFAOYSA-N 1 0 313.741 1.174 20 5 DDBDRO Cc1ccncc1C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000562998941 484328256 /nfs/dbraw/zinc/32/82/56/484328256.db2.gz VHARHSDKQHZEKK-CQSZACIVSA-N 1 0 317.345 1.828 20 5 DDBDRO [NH3+]CC[C@@H](NC(=O)Cc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000307806538 484377343 /nfs/dbraw/zinc/37/73/43/484377343.db2.gz CZTNZPKUAWPNAT-SNVBAGLBSA-N 1 0 305.256 1.533 20 5 DDBDRO CO[C@@H]1C[C@@H]([NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1(C)C ZINC000451496038 490263381 /nfs/dbraw/zinc/26/33/81/490263381.db2.gz LOXNUFSAGVQUIQ-CHWSQXEVSA-N 1 0 307.350 1.597 20 5 DDBDRO Cc1cc(S(=O)(=O)N2CC[C@H]([C@H](C)[NH3+])C2)ccc1[N+](=O)[O-] ZINC000447248250 534035192 /nfs/dbraw/zinc/03/51/92/534035192.db2.gz TXWWCQDQOHIANU-QWRGUYRKSA-N 1 0 313.379 1.261 20 5 DDBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424291565 534095391 /nfs/dbraw/zinc/09/53/91/534095391.db2.gz MHSJBKRRGRCQEF-KNXALSJPSA-N 1 0 315.377 1.816 20 5 DDBDRO C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000414666863 534147498 /nfs/dbraw/zinc/14/74/98/534147498.db2.gz WYBHRPPZINGZNI-CABZTGNLSA-N 1 0 308.338 1.829 20 5 DDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCC(=O)N(C)C1=O ZINC000424311798 534254442 /nfs/dbraw/zinc/25/44/42/534254442.db2.gz FTKWPPZEHRPAPT-CMPLNLGQSA-N 1 0 305.334 1.263 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCSC[C@H]1C1CC1 ZINC000451646421 534320068 /nfs/dbraw/zinc/32/00/68/534320068.db2.gz FKBCFBVPJHNJAB-ZDUSSCGKSA-N 1 0 309.391 1.584 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@@H]([C@H](CO)C1CC1)C1CC1 ZINC000451615861 534321184 /nfs/dbraw/zinc/32/11/84/534321184.db2.gz UWDJYBGLLNJQHT-GDBMZVCRSA-N 1 0 321.377 1.143 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000415514158 534336637 /nfs/dbraw/zinc/33/66/37/534336637.db2.gz BPTNQYSFXCJZKW-MNOVXSKESA-N 1 0 320.349 1.037 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000414650045 534341295 /nfs/dbraw/zinc/34/12/95/534341295.db2.gz ASDHRIASINTDLL-LBPRGKRZSA-N 1 0 308.338 1.403 20 5 DDBDRO O=C(NCCNc1ccc([N+](=O)[O-])cc1)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000444138910 534360207 /nfs/dbraw/zinc/36/02/07/534360207.db2.gz JNRAJXNGSNCDOG-UKRRQHHQSA-N 1 0 304.350 1.123 20 5 DDBDRO CC1(NC(=O)NCCc2ccccc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000417763772 528023554 /nfs/dbraw/zinc/02/35/54/528023554.db2.gz LENHDJOWJQSCPP-UHFFFAOYSA-N 1 0 306.366 1.579 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000423534023 528692432 /nfs/dbraw/zinc/69/24/32/528692432.db2.gz ZEAUHLXLTDUJGZ-TUAOUCFPSA-N 1 0 319.361 1.803 20 5 DDBDRO CC[C@@H]([NH2+]C[C@@H](O)Cn1ccnn1)c1cccc([N+](=O)[O-])c1 ZINC000414178798 529174359 /nfs/dbraw/zinc/17/43/59/529174359.db2.gz KFWRWNWYDVTUJK-ZIAGYGMSSA-N 1 0 305.338 1.288 20 5 DDBDRO Cc1nn(CN2CCN(c3cc[nH+]cc3)CC2)c(C)c1[N+](=O)[O-] ZINC000023847897 696084468 /nfs/dbraw/zinc/08/44/68/696084468.db2.gz IZYSNJOMAPEFAT-UHFFFAOYSA-N 1 0 316.365 1.583 20 5 DDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N(C)CCC[NH+]1CCCC1 ZINC000798404477 700062403 /nfs/dbraw/zinc/06/24/03/700062403.db2.gz PHFCFYOHKCZIPG-UHFFFAOYSA-N 1 0 320.393 1.877 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000038050450 696135855 /nfs/dbraw/zinc/13/58/55/696135855.db2.gz PRSGQNIJGONLSL-VXGBXAGGSA-N 1 0 313.379 1.451 20 5 DDBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CC[NH2+]CC1 ZINC000050280152 696230362 /nfs/dbraw/zinc/23/03/62/696230362.db2.gz MHGZGMGDRFUCGX-SECBINFHSA-N 1 0 312.757 1.480 20 5 DDBDRO C[NH+]1CCC2(CCCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)CC1 ZINC000799030183 700110981 /nfs/dbraw/zinc/11/09/81/700110981.db2.gz XGVGDYYINYCZGR-UHFFFAOYSA-N 1 0 306.366 1.871 20 5 DDBDRO CCOc1ccc([C@@H](C)[NH2+]CCS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000153353136 696914189 /nfs/dbraw/zinc/91/41/89/696914189.db2.gz YUPRSLOOPUNQOG-SNVBAGLBSA-N 1 0 316.379 1.689 20 5 DDBDRO CCOc1ccc([C@H](C)[NH2+]CCS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000153353255 696914504 /nfs/dbraw/zinc/91/45/04/696914504.db2.gz YUPRSLOOPUNQOG-JTQLQIEISA-N 1 0 316.379 1.689 20 5 DDBDRO Cc1ncccc1C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000983653096 697286722 /nfs/dbraw/zinc/28/67/22/697286722.db2.gz GRIOEBTZUZOQOY-NMFUWQPSSA-N 1 0 318.377 1.040 20 5 DDBDRO CN([C@@H](C[NH3+])C1CC1)S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000159940739 697313467 /nfs/dbraw/zinc/31/34/67/697313467.db2.gz PMPTYCZAPZBZJP-JTQLQIEISA-N 1 0 317.342 1.092 20 5 DDBDRO COCC[N@H+](C)CCCNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000160149874 697315329 /nfs/dbraw/zinc/31/53/29/697315329.db2.gz NLDSOTIFUFXVQC-UHFFFAOYSA-N 1 0 313.329 1.432 20 5 DDBDRO C[NH+]1CCC(ONC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000773552411 697779211 /nfs/dbraw/zinc/77/92/11/697779211.db2.gz OWZITKIWQOKTDF-UHFFFAOYSA-N 1 0 319.321 1.227 20 5 DDBDRO O=[N+]([O-])c1ccc(Br)c(OC[C@H]2C[NH2+]CCO2)c1 ZINC000230804171 697784596 /nfs/dbraw/zinc/78/45/96/697784596.db2.gz YFEGHZONILMZBR-SECBINFHSA-N 1 0 317.139 1.725 20 5 DDBDRO CC(C)N1CCO[C@H](C(=[NH2+])NOCc2ccccc2[N+](=O)[O-])C1 ZINC000779654733 698449949 /nfs/dbraw/zinc/44/99/49/698449949.db2.gz QQQWUCJVDZYUNG-AWEZNQCLSA-N 1 0 322.365 1.702 20 5 DDBDRO Cc1c(CC(=O)N2CC[C@@]3(CCC[NH2+]3)C2)cccc1[N+](=O)[O-] ZINC000424022043 699147300 /nfs/dbraw/zinc/14/73/00/699147300.db2.gz CMBAGRKEZJGHLG-INIZCTEOSA-N 1 0 303.362 1.800 20 5 DDBDRO C[C@@H]1OCC[C@@]1(O)C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000789776520 699408646 /nfs/dbraw/zinc/40/86/46/699408646.db2.gz GEYPBJDJMPNXKT-TVQRCGJNSA-N 1 0 300.742 1.878 20 5 DDBDRO C[NH+](C)CCNC(=S)NNc1cccc(F)c1[N+](=O)[O-] ZINC000790610284 699469117 /nfs/dbraw/zinc/46/91/17/699469117.db2.gz YTMOBJJBOCARQM-UHFFFAOYSA-N 1 0 301.347 1.087 20 5 DDBDRO COCC[N@@H+]1CC[C@H](NC(=S)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000730733781 699514795 /nfs/dbraw/zinc/51/47/95/699514795.db2.gz OBFJHKYNSULUQM-LBPRGKRZSA-N 1 0 324.406 1.602 20 5 DDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CC[NH+](C2CCC2)CC1 ZINC000733302488 699587971 /nfs/dbraw/zinc/58/79/71/699587971.db2.gz XJRSZABHNULDPZ-UHFFFAOYSA-N 1 0 318.377 1.629 20 5 DDBDRO C[C@@H]1CCC[N@@H+]1CCNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000742238919 699868933 /nfs/dbraw/zinc/86/89/33/699868933.db2.gz IQOPKKSCNFFZNH-GFCCVEGCSA-N 1 0 307.350 1.574 20 5 DDBDRO CCc1[nH]nc(C(=O)OCC[C@H]2CCCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000795612231 699878784 /nfs/dbraw/zinc/87/87/84/699878784.db2.gz OVDZVBLOXMOURT-SNVBAGLBSA-N 1 0 310.354 1.912 20 5 DDBDRO COC[C@@H](O)C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000802310695 700394913 /nfs/dbraw/zinc/39/49/13/700394913.db2.gz LANASAZDDMFUGR-AEGPPILISA-N 1 0 308.378 1.903 20 5 DDBDRO COc1ccc(OCCN2CC[N@H+](C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000761075297 700839843 /nfs/dbraw/zinc/83/98/43/700839843.db2.gz DODGVOIISCJACE-GFCCVEGCSA-N 1 0 309.366 1.618 20 5 DDBDRO C[C@@H](Cc1cnn(C)c1)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000768404134 701174900 /nfs/dbraw/zinc/17/49/00/701174900.db2.gz VPKVRQVTBPYCQP-XHDPSFHLSA-N 1 0 304.350 1.583 20 5 DDBDRO CC1CC[NH+](CCn2cc([N+](=O)[O-])c(=O)c([N+](=O)[O-])c2)CC1 ZINC000769606552 701250262 /nfs/dbraw/zinc/25/02/62/701250262.db2.gz VDNUMJSAWGTNFI-UHFFFAOYSA-N 1 0 310.310 1.397 20 5 DDBDRO COC(=O)CC(C)(C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000769754795 701254878 /nfs/dbraw/zinc/25/48/78/701254878.db2.gz ZUEIBRXNFWXBAD-UHFFFAOYSA-N 1 0 306.322 1.902 20 5 DDBDRO COC(=O)CC(C)(C)[NH2+]CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000770191498 701270936 /nfs/dbraw/zinc/27/09/36/701270936.db2.gz KAHDRIDIXBJZLL-UHFFFAOYSA-N 1 0 323.349 1.773 20 5 DDBDRO C[C@H](NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815576035 701898211 /nfs/dbraw/zinc/89/82/11/701898211.db2.gz HKIVUIJNQFUYRK-UBHSHLNASA-N 1 0 320.393 1.691 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC[C@](O)(C(F)F)C2)c1 ZINC000831175133 706650064 /nfs/dbraw/zinc/65/00/64/706650064.db2.gz FVKYSZQPRMFPJK-DGCLKSJQSA-N 1 0 302.277 1.330 20 5 DDBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]Cc1nnc2n1CCC2 ZINC000866224975 706653505 /nfs/dbraw/zinc/65/35/05/706653505.db2.gz KSCTYGOHIYYFMS-JTQLQIEISA-N 1 0 319.340 1.992 20 5 DDBDRO CN(C[C@@H]1CCC[N@@H+]1C)Cn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000817374759 702361558 /nfs/dbraw/zinc/36/15/58/702361558.db2.gz VKXVOCPPFBBPFI-LBPRGKRZSA-N 1 0 320.349 1.486 20 5 DDBDRO Cc1cc(C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)c(N)c([N+](=O)[O-])c1 ZINC000817677555 702448193 /nfs/dbraw/zinc/44/81/93/702448193.db2.gz XYAUDSJEAVRPAH-NSHDSACASA-N 1 0 306.366 1.652 20 5 DDBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000817679649 702448905 /nfs/dbraw/zinc/44/89/05/702448905.db2.gz VENUOKWZJGOQBL-ZIAGYGMSSA-N 1 0 307.350 1.181 20 5 DDBDRO CC(C)(CC[NH3+])NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000817859554 702503379 /nfs/dbraw/zinc/50/33/79/702503379.db2.gz HEZOEDPARXXELK-UHFFFAOYSA-N 1 0 321.786 1.654 20 5 DDBDRO CN(C(=O)COc1ccc([N+](=O)[O-])c(F)c1)[C@H](C[NH3+])C1CC1 ZINC000818005524 702550777 /nfs/dbraw/zinc/55/07/77/702550777.db2.gz PTUPSNCYFPFMJN-CYBMUJFWSA-N 1 0 311.313 1.308 20 5 DDBDRO CN(C(=O)COc1ccc([N+](=O)[O-])c(F)c1)[C@@H](C[NH3+])C1CC1 ZINC000818005525 702550918 /nfs/dbraw/zinc/55/09/18/702550918.db2.gz PTUPSNCYFPFMJN-ZDUSSCGKSA-N 1 0 311.313 1.308 20 5 DDBDRO C[C@@H]([NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-])C(=O)NCCF ZINC000866355079 706680142 /nfs/dbraw/zinc/68/01/42/706680142.db2.gz SWGFUQRAOHSBGO-VHSXEESVSA-N 1 0 315.320 1.729 20 5 DDBDRO C[C@H](C[NH3+])N(C)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000841855224 702588417 /nfs/dbraw/zinc/58/84/17/702588417.db2.gz IMSPFDOOJKVEBN-MRVPVSSYSA-N 1 0 300.746 1.737 20 5 DDBDRO CC(C)[C@](C)(C[NH3+])NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000818522199 702658038 /nfs/dbraw/zinc/65/80/38/702658038.db2.gz LPHIGUBCEOUVHM-HNNXBMFYSA-N 1 0 319.365 1.434 20 5 DDBDRO C[C@@H]1C[NH2+][C@@H](C)CN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000842473780 702725029 /nfs/dbraw/zinc/72/50/29/702725029.db2.gz FOTNVKLJNKZPOC-WDEREUQCSA-N 1 0 324.356 1.745 20 5 DDBDRO C[NH2+]C[C@@H](C)c1noc(CN(C)c2ccccc2[N+](=O)[O-])n1 ZINC000842582278 702736505 /nfs/dbraw/zinc/73/65/05/702736505.db2.gz XXAFZCJBHFOKPN-SNVBAGLBSA-N 1 0 305.338 1.937 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@H](CO)c2cccnc2)c1 ZINC000843083384 702815520 /nfs/dbraw/zinc/81/55/20/702815520.db2.gz PKACGWLCIMALGS-GDBMZVCRSA-N 1 0 317.345 1.389 20 5 DDBDRO C[C@H]([NH2+]C[C@@H]1CN(C2CC2)C(=O)O1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000848569840 703563833 /nfs/dbraw/zinc/56/38/33/703563833.db2.gz HUZIMJTXFDCCDN-JOYOIKCWSA-N 1 0 320.349 1.811 20 5 DDBDRO COCC[N@H+](CCn1c(C)ncc1[N+](=O)[O-])C1CCOCC1 ZINC000879711141 706767284 /nfs/dbraw/zinc/76/72/84/706767284.db2.gz BCXKBDKMGDZNBR-UHFFFAOYSA-N 1 0 312.370 1.227 20 5 DDBDRO CC(C)C[C@H](C[NH3+])NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000818555158 703924908 /nfs/dbraw/zinc/92/49/08/703924908.db2.gz NKWRXMAVFXDYCT-GFCCVEGCSA-N 1 0 319.365 1.434 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000866720572 706775120 /nfs/dbraw/zinc/77/51/20/706775120.db2.gz MNISNRRXUDPKFS-QWHCGFSZSA-N 1 0 318.377 1.668 20 5 DDBDRO C[C@]1(C[NH3+])CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000818594834 703933662 /nfs/dbraw/zinc/93/36/62/703933662.db2.gz YTOUOQIXJFEYEY-CYBMUJFWSA-N 1 0 308.294 1.314 20 5 DDBDRO CCO[C@@H](CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C[NH+](C)C ZINC000831776990 706777272 /nfs/dbraw/zinc/77/72/72/706777272.db2.gz OLYQDDHLOBWBFR-VSGCLNPGSA-N 1 0 321.377 1.691 20 5 DDBDRO C[C@@H](C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)Cn1cccn1 ZINC000818961352 704035150 /nfs/dbraw/zinc/03/51/50/704035150.db2.gz QCYOISGFGGPAQA-SWLSCSKDSA-N 1 0 304.350 1.751 20 5 DDBDRO CO[C@@]1(CO)CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000852412704 704038012 /nfs/dbraw/zinc/03/80/12/704038012.db2.gz YDVZQMQTBDHKNW-GJZGRUSLSA-N 1 0 310.350 1.102 20 5 DDBDRO COC(=O)N(C)CC[N@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000852569331 704076985 /nfs/dbraw/zinc/07/69/85/704076985.db2.gz NJJDAAWLYLGWCZ-CYBMUJFWSA-N 1 0 311.338 1.258 20 5 DDBDRO Cc1c(C(=O)NCC23CC(C2)C[NH2+]3)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000852865462 704153351 /nfs/dbraw/zinc/15/33/51/704153351.db2.gz DDVOLQZLMQYILB-UHFFFAOYSA-N 1 0 320.305 1.293 20 5 DDBDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)c3cc(F)ccc3[N+](=O)[O-])[C@@H]2C1 ZINC000819717202 704163438 /nfs/dbraw/zinc/16/34/38/704163438.db2.gz DLLBHNNWHKXCCQ-IINYFYTJSA-N 1 0 307.325 1.900 20 5 DDBDRO CCN(CCC[NH+](C)C)C(=O)[C@@](C)(N)c1cccc([N+](=O)[O-])c1 ZINC000870927676 704171652 /nfs/dbraw/zinc/17/16/52/704171652.db2.gz AVZQEVKPRIMEJX-INIZCTEOSA-N 1 0 322.409 1.569 20 5 DDBDRO CO[C@H](C)CN(C)Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853513385 704255659 /nfs/dbraw/zinc/25/56/59/704255659.db2.gz ZFMHMJVKGIFFOX-LLVKDONJSA-N 1 0 305.338 1.778 20 5 DDBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000854653364 704434505 /nfs/dbraw/zinc/43/45/05/704434505.db2.gz YOCKILQYBBXGNH-LERXQTSPSA-N 1 0 307.350 1.179 20 5 DDBDRO Cc1nc([N+](=O)[O-])c(-c2noc(CC[C@@H]3CCC[NH2+]C3)n2)n1C ZINC000857253318 704570533 /nfs/dbraw/zinc/57/05/33/704570533.db2.gz MZRJAYNQWHYGFI-JTQLQIEISA-N 1 0 320.353 1.619 20 5 DDBDRO C[NH+](C)CCCS(=O)(=O)Oc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000867275443 706945504 /nfs/dbraw/zinc/94/55/04/706945504.db2.gz UCHJKRNJAJVZMZ-UHFFFAOYSA-N 1 0 322.770 1.909 20 5 DDBDRO COc1cc(Cc2noc(CC[C@H](C)[NH3+])n2)ccc1[N+](=O)[O-] ZINC000822862952 705063738 /nfs/dbraw/zinc/06/37/38/705063738.db2.gz MWFYMPQWUHBXTL-VIFPVBQESA-N 1 0 306.322 1.857 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000874848149 705201591 /nfs/dbraw/zinc/20/15/91/705201591.db2.gz RUWYMZWEGNRLQP-KGLIPLIRSA-N 1 0 304.350 1.607 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@H](n3ccnn3)C2)c1 ZINC000823469102 705250233 /nfs/dbraw/zinc/25/02/33/705250233.db2.gz OQPLJUWJXPHQFP-LSDHHAIUSA-N 1 0 317.349 1.557 20 5 DDBDRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)/C=C\c3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000861908883 705601275 /nfs/dbraw/zinc/60/12/75/705601275.db2.gz XZPFVHFHIWGNEC-AAQOOXNWSA-N 1 0 301.346 1.626 20 5 DDBDRO C[C@H]1C[N@H+](CCO)CCN1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000825336864 705649151 /nfs/dbraw/zinc/64/91/51/705649151.db2.gz ADUCSIAUWATCGN-NSHDSACASA-N 1 0 313.785 1.747 20 5 DDBDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825970057 705752926 /nfs/dbraw/zinc/75/29/26/705752926.db2.gz USNJYLOMLVRRAR-DOMZBBRYSA-N 1 0 321.377 1.428 20 5 DDBDRO O=C(NCCNc1ccccc1[N+](=O)[O-])[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876563260 705759864 /nfs/dbraw/zinc/75/98/64/705759864.db2.gz BLGAPFAEHFMAAH-ZBFHGGJFSA-N 1 0 318.377 1.655 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)/C=C/[C@@H]1CCC[NH2+]C1 ZINC000876611700 705783901 /nfs/dbraw/zinc/78/39/01/705783901.db2.gz OXGDCIUFPHPIBK-NTYUQYKDSA-N 1 0 319.361 1.775 20 5 DDBDRO COc1ccc(CNC(=O)/C=C/[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000876612583 705783912 /nfs/dbraw/zinc/78/39/12/705783912.db2.gz QIMDXZNKTFLXRK-PZBABLGHSA-N 1 0 319.361 1.775 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1C2CCC1(C[NH3+])CC2 ZINC000877191783 706012288 /nfs/dbraw/zinc/01/22/88/706012288.db2.gz FNJAFJWZHFWEFP-UHFFFAOYSA-N 1 0 318.377 1.757 20 5 DDBDRO O=C(NCC[N@H+]1CC[C@H](O)C1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000863945228 706042883 /nfs/dbraw/zinc/04/28/83/706042883.db2.gz YLDRXHHQYYYJMG-JTQLQIEISA-N 1 0 313.741 1.045 20 5 DDBDRO CNc1ccc(C(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)cc1[N+](=O)[O-] ZINC000877286959 706048843 /nfs/dbraw/zinc/04/88/43/706048843.db2.gz HFQLZXWMVOGVBL-QWHCGFSZSA-N 1 0 304.350 1.603 20 5 DDBDRO CO[C@@H](CN(CC[NH3+])c1ccc([N+](=O)[O-])cc1)[C@@H]1CCOC1 ZINC000877521754 706130855 /nfs/dbraw/zinc/13/08/55/706130855.db2.gz CILPIXAUGNUVQJ-DOMZBBRYSA-N 1 0 309.366 1.411 20 5 DDBDRO CC(C)(O)CN1CC[C@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000872218904 707334507 /nfs/dbraw/zinc/33/45/07/707334507.db2.gz TWGPYJUPOOTNEH-DZGCQCFKSA-N 1 0 323.393 1.063 20 5 DDBDRO O=C1[C@@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C[C@@H]2CCCCN12 ZINC000877579350 706148122 /nfs/dbraw/zinc/14/81/22/706148122.db2.gz PMLOFAZWDXLWPQ-KMMRNIFNSA-N 1 0 319.365 1.238 20 5 DDBDRO CC(C)[N@H+](CCc1nnnn1C)Cc1ccc([N+](=O)[O-])cc1 ZINC000877993069 706259916 /nfs/dbraw/zinc/25/99/16/706259916.db2.gz WRARRPAVKWMWTP-UHFFFAOYSA-N 1 0 304.354 1.571 20 5 DDBDRO O=[N+]([O-])c1c(F)nccc1N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000881915799 707422982 /nfs/dbraw/zinc/42/29/82/707422982.db2.gz QOWYMUHWHHKDDT-JQWIXIFHSA-N 1 0 310.329 1.164 20 5 DDBDRO O=[N+]([O-])c1cc(CO)c(N2CC[NH+](CC3CC3)CC2)cc1F ZINC000865453804 706435615 /nfs/dbraw/zinc/43/56/15/706435615.db2.gz OSAMLAJEHYINAS-UHFFFAOYSA-N 1 0 309.341 1.758 20 5 DDBDRO CN(CC[NH+](C)C)C(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000879063018 706576906 /nfs/dbraw/zinc/57/69/06/706576906.db2.gz IJANVZVUKFDEOM-UHFFFAOYSA-N 1 0 323.349 1.390 20 5 DDBDRO O=[N+]([O-])c1ccccc1OCCN1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC000880070661 706870332 /nfs/dbraw/zinc/87/03/32/706870332.db2.gz JHAUWQQTFOXKCO-UONOGXRCSA-N 1 0 321.377 1.115 20 5 DDBDRO COc1ccc(CN2CCNC(=O)CC23CCC3)cc1[N+](=O)[O-] ZINC000880170831 706900009 /nfs/dbraw/zinc/90/00/09/706900009.db2.gz QMYYACWDBDUBMI-UHFFFAOYSA-N 1 0 319.361 1.848 20 5 DDBDRO CN(CC[N@H+](C)C1CC1)C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000867475953 707012952 /nfs/dbraw/zinc/01/29/52/707012952.db2.gz NUMBGGGJMYZCAF-UHFFFAOYSA-N 1 0 309.341 1.829 20 5 DDBDRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000834637283 707097162 /nfs/dbraw/zinc/09/71/62/707097162.db2.gz XEAVGJIRXRFJRS-MFKMUULPSA-N 1 0 317.349 1.059 20 5 DDBDRO O=C(NCC12CCC[NH+]1CCC2)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000834754413 707110318 /nfs/dbraw/zinc/11/03/18/707110318.db2.gz ASYVBKBTNNTUIK-AWEZNQCLSA-N 1 0 319.361 1.373 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000871673731 707164498 /nfs/dbraw/zinc/16/44/98/707164498.db2.gz NINFNBLSFHKYDZ-ZDUSSCGKSA-N 1 0 314.345 1.378 20 5 DDBDRO C[C@H]1CCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CCO1 ZINC000896586217 708090034 /nfs/dbraw/zinc/09/00/34/708090034.db2.gz XUJGMIAMPBDBEA-NSHDSACASA-N 1 0 308.334 1.977 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)n1 ZINC000897221941 708259497 /nfs/dbraw/zinc/25/94/97/708259497.db2.gz QOMCJTZXKNQCEC-QWHCGFSZSA-N 1 0 306.366 1.334 20 5 DDBDRO Cn1nccc1[C@@H](O)C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000897302668 708284300 /nfs/dbraw/zinc/28/43/00/708284300.db2.gz TWHLLVVZPJDLGT-ZDUSSCGKSA-N 1 0 310.741 1.805 20 5 DDBDRO C[C@H](CS(C)(=O)=O)[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000897463781 708339264 /nfs/dbraw/zinc/33/92/64/708339264.db2.gz IUPMBQXLMGXPJX-WDEREUQCSA-N 1 0 300.380 1.721 20 5 DDBDRO CN(C)c1cc[nH+]c(CNC(=O)Cc2ccccc2[N+](=O)[O-])c1 ZINC000927709372 713036866 /nfs/dbraw/zinc/03/68/66/713036866.db2.gz BAOJUMUGUJMQLM-UHFFFAOYSA-N 1 0 314.345 1.915 20 5 DDBDRO CC(C)N(C)S(=O)(=O)c1ccc(CNCC[N+](=O)[O-])cc1 ZINC000899873399 709223699 /nfs/dbraw/zinc/22/36/99/709223699.db2.gz NZTHPRYUFJYIFA-UHFFFAOYSA-N 1 0 315.395 1.082 20 5 DDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC000900159757 709310858 /nfs/dbraw/zinc/31/08/58/709310858.db2.gz PVFIATGNZBNBEY-SWLSCSKDSA-N 1 0 307.350 1.008 20 5 DDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC([NH+]2CCC2)CC1 ZINC000912878311 713113378 /nfs/dbraw/zinc/11/33/78/713113378.db2.gz RCLFRPUGINZTPP-UHFFFAOYSA-N 1 0 303.362 1.834 20 5 DDBDRO CC1(C)CC[N@H+](CCNC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000890080226 709739034 /nfs/dbraw/zinc/73/90/34/709739034.db2.gz ZJACOTZZZAVULN-UHFFFAOYSA-N 1 0 321.377 1.822 20 5 DDBDRO C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000913095971 713161905 /nfs/dbraw/zinc/16/19/05/713161905.db2.gz ACVRCHDLJXGUKT-DTZQCDIJSA-N 1 0 317.389 1.678 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1N1CC[NH+](CCc2cccs2)CC1 ZINC000891974915 710343881 /nfs/dbraw/zinc/34/38/81/710343881.db2.gz SXCRGMKQQVJFLK-UHFFFAOYSA-N 1 0 321.406 1.755 20 5 DDBDRO Cc1ccc(CNC(=O)N2CC[NH2+][C@@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000892537242 710454164 /nfs/dbraw/zinc/45/41/64/710454164.db2.gz QGMSIZZBLVEYDN-NWDGAFQWSA-N 1 0 306.366 1.795 20 5 DDBDRO CC[NH+](CC)CCO[C@H]1CCN(c2c([N+](=O)[O-])cnn2C)C1 ZINC000892774100 710496507 /nfs/dbraw/zinc/49/65/07/710496507.db2.gz HNBGOPDWJDENCO-LBPRGKRZSA-N 1 0 311.386 1.265 20 5 DDBDRO C[NH+]1C[C@]2(C)CN(C(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)C[C@@]2(C)C1 ZINC000913281469 713190678 /nfs/dbraw/zinc/19/06/78/713190678.db2.gz QQLLHTBEJQXZAF-HUUCEWRRSA-N 1 0 320.349 1.109 20 5 DDBDRO CC1(C)C[NH2+]CCN1C(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000911849083 711031173 /nfs/dbraw/zinc/03/11/73/711031173.db2.gz YZFXIJZCIRNNQJ-KBPBESRZSA-N 1 0 303.362 1.909 20 5 DDBDRO O=[N+]([O-])c1ccc(CCN2CC[NH2+]CCC23CCOCC3)cc1 ZINC000903814640 711289407 /nfs/dbraw/zinc/28/94/07/711289407.db2.gz FVBBTTHQORHYHY-UHFFFAOYSA-N 1 0 319.405 1.982 20 5 DDBDRO C[NH2+]CCCCC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000912364954 711293091 /nfs/dbraw/zinc/29/30/91/711293091.db2.gz PQRVYSSVXKATOY-UHFFFAOYSA-N 1 0 321.381 1.028 20 5 DDBDRO COC[C@@H]1C[NH2+]CCN1C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000904277070 711422893 /nfs/dbraw/zinc/42/28/93/711422893.db2.gz GOFKUJPBOGNUTI-NSHDSACASA-N 1 0 308.338 1.355 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000895126066 711426716 /nfs/dbraw/zinc/42/67/16/711426716.db2.gz YUAANEZSQSZYRI-LBPRGKRZSA-N 1 0 309.370 1.066 20 5 DDBDRO CN1CC[C@@H]1CNc1nc(NC[C@H]2CC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000895770309 711601331 /nfs/dbraw/zinc/60/13/31/711601331.db2.gz LUBOMHMXXRLYHB-VXGBXAGGSA-N 1 0 320.397 1.222 20 5 DDBDRO CC(C)NC(=O)c1ccc(NC[C@H]2CC[N@@H+]2C)c([N+](=O)[O-])c1 ZINC000895776591 711604169 /nfs/dbraw/zinc/60/41/69/711604169.db2.gz KNLBFGQWGJWFEQ-GFCCVEGCSA-N 1 0 306.366 1.849 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)NC12CC[NH+](CC1)C2 ZINC000913628214 713272048 /nfs/dbraw/zinc/27/20/48/713272048.db2.gz BWSBATHUMXOOBK-UHFFFAOYSA-N 1 0 309.297 1.077 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CC2CC3(C2)OCCO3)c1 ZINC000905591702 712088231 /nfs/dbraw/zinc/08/82/31/712088231.db2.gz JYGOFSOVRULONM-CQSZACIVSA-N 1 0 308.334 1.371 20 5 DDBDRO C[C@@H](C[NH2+]C[C@H](O)CN(C)C1CC1)c1ccccc1[N+](=O)[O-] ZINC000905641480 712104318 /nfs/dbraw/zinc/10/43/18/712104318.db2.gz CABSFQQWJAYODW-JSGCOSHPSA-N 1 0 307.394 1.743 20 5 DDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C1CN(C)CC[N@H+](C)C1 ZINC000906065317 712235158 /nfs/dbraw/zinc/23/51/58/712235158.db2.gz TUKZSQXYQVZTPS-UHFFFAOYSA-N 1 0 320.393 1.047 20 5 DDBDRO C[NH+](C)CCNC(=S)NNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000916022625 713439211 /nfs/dbraw/zinc/43/92/11/713439211.db2.gz MUFAHBQSRWBSPX-UHFFFAOYSA-N 1 0 317.802 1.601 20 5 DDBDRO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000929411493 713605038 /nfs/dbraw/zinc/60/50/38/713605038.db2.gz JXVFFXMCIUJKHD-OAHLLOKOSA-N 1 0 320.393 1.996 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000930140297 713765832 /nfs/dbraw/zinc/76/58/32/713765832.db2.gz YBLDXWMLQANUNS-UHFFFAOYSA-N 1 0 317.349 1.800 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000930329956 713805503 /nfs/dbraw/zinc/80/55/03/713805503.db2.gz ORSVRGATLBOXID-LLVKDONJSA-N 1 0 309.370 1.090 20 5 DDBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H]1C[C@H]2COC[C@@H]2O1 ZINC000930353097 713811983 /nfs/dbraw/zinc/81/19/83/713811983.db2.gz HFWIBODEMPHSNK-BPUTZDHNSA-N 1 0 306.362 1.873 20 5 DDBDRO Cc1ccc(C[NH2+]Cc2c3c(nn2C)CCOC3)cc1[N+](=O)[O-] ZINC000922316820 714019230 /nfs/dbraw/zinc/01/92/30/714019230.db2.gz UFWANOPUUIIPQH-UHFFFAOYSA-N 1 0 316.361 1.999 20 5 DDBDRO C[N@@H+]1C[C@@]2(C)CN(C[C@H](O)c3ccc([N+](=O)[O-])cc3)C[C@@]2(C)C1 ZINC000931311822 714062701 /nfs/dbraw/zinc/06/27/01/714062701.db2.gz PPYRQDFKJMZAMU-YESZJQIVSA-N 1 0 319.405 1.902 20 5 DDBDRO Cn1nccc1[C@H](O)C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000922974685 714201471 /nfs/dbraw/zinc/20/14/71/714201471.db2.gz QTXDCSGZERTMFX-CYBMUJFWSA-N 1 0 310.741 1.805 20 5 DDBDRO C[C@@H]([NH2+]CC(=O)N1C[C@@H](C)O[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000932181807 714280758 /nfs/dbraw/zinc/28/07/58/714280758.db2.gz DQKPUIVHKRCHSJ-JHJVBQTASA-N 1 0 321.377 1.881 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923292962 714299544 /nfs/dbraw/zinc/29/95/44/714299544.db2.gz MACMAESNLNAONX-HZSPNIEDSA-N 1 0 321.377 1.161 20 5 DDBDRO COC(C)(C)[C@H](C)[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000932369937 714318884 /nfs/dbraw/zinc/31/88/84/714318884.db2.gz GXPRTPUHNCAJQH-NSHDSACASA-N 1 0 309.366 1.961 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CC[C@@]3(CCC[NH2+]3)C2)c1 ZINC000923380666 714335238 /nfs/dbraw/zinc/33/52/38/714335238.db2.gz QQWMXRCNFIYSAG-HOCLYGCPSA-N 1 0 321.377 1.162 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@H]1CC[NH2+]C12CCC2 ZINC000923398766 714341861 /nfs/dbraw/zinc/34/18/61/714341861.db2.gz LVSYQTIXVZGIER-DOMZBBRYSA-N 1 0 321.377 1.209 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H]1COC[C@H]1C ZINC000932494015 714346138 /nfs/dbraw/zinc/34/61/38/714346138.db2.gz GNODHOXIPDUMEZ-BXUZGUMPSA-N 1 0 307.350 1.856 20 5 DDBDRO CC1(C)CC[NH2+]CCN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000923413717 714348247 /nfs/dbraw/zinc/34/82/47/714348247.db2.gz HBUXRIBGUJSVGW-ZDUSSCGKSA-N 1 0 323.393 1.408 20 5 DDBDRO [NH3+][C@@H]1CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]1C(F)(F)F ZINC000923430553 714353685 /nfs/dbraw/zinc/35/36/85/714353685.db2.gz GXDTYRVEPFPSIW-UTUOFQBUSA-N 1 0 319.283 1.450 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1[C@H](C)C[NH2+][C@@H](C)[C@@H]1C ZINC000923439417 714356192 /nfs/dbraw/zinc/35/61/92/714356192.db2.gz DCFZEZGBVGUJAZ-AGIUHOORSA-N 1 0 320.393 1.912 20 5 DDBDRO COc1ccc(OCCN2C[C@@H]3CC[NH2+]C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000923519601 714388397 /nfs/dbraw/zinc/38/83/97/714388397.db2.gz VNPQIFKLHPTINK-QWHCGFSZSA-N 1 0 321.377 1.524 20 5 DDBDRO O=C1N[C@H](C2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)CO1 ZINC000932780952 714412338 /nfs/dbraw/zinc/41/23/38/714412338.db2.gz WSICODXANWPYNB-AWEZNQCLSA-N 1 0 305.334 1.915 20 5 DDBDRO O=C1N[C@H](C2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)CO1 ZINC000932782989 714412876 /nfs/dbraw/zinc/41/28/76/714412876.db2.gz XZMYBBCULRCCFS-AWEZNQCLSA-N 1 0 305.334 1.915 20 5 DDBDRO O=C1N[C@@H](C2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)CO1 ZINC000932782990 714413155 /nfs/dbraw/zinc/41/31/55/714413155.db2.gz XZMYBBCULRCCFS-CQSZACIVSA-N 1 0 305.334 1.915 20 5 DDBDRO O=C1NCCN1CC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000933592278 714626696 /nfs/dbraw/zinc/62/66/96/714626696.db2.gz MDOVMVCQPDFCJC-UHFFFAOYSA-N 1 0 318.377 1.832 20 5 DDBDRO CC[N@H+](CCC(=O)NC)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000933869189 714688492 /nfs/dbraw/zinc/68/84/92/714688492.db2.gz PKBKHMFHYYYMQL-UHFFFAOYSA-N 1 0 323.349 1.419 20 5 DDBDRO C/C(=C/C(=O)NC[C@@H]1C[C@@H](O)C[N@H+]1C)c1ccc([N+](=O)[O-])cc1 ZINC000924982131 714714958 /nfs/dbraw/zinc/71/49/58/714714958.db2.gz OPLBNAWKSQZRGY-XSNQJSSTSA-N 1 0 319.361 1.179 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@@H]1C[C@@H](O)C[N@H+]1C ZINC000924990256 714718458 /nfs/dbraw/zinc/71/84/58/714718458.db2.gz UYVVSLXYMFQWSO-QWHCGFSZSA-N 1 0 321.377 1.315 20 5 DDBDRO Cc1c(CN2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)cccc1[N+](=O)[O-] ZINC000934257980 714777782 /nfs/dbraw/zinc/77/77/82/714777782.db2.gz KSAIBTGNYBTRMG-IRXDYDNUSA-N 1 0 319.405 1.934 20 5 DDBDRO C[C@@H](C[C@H]1CCC(=O)N1)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000925382649 714836501 /nfs/dbraw/zinc/83/65/01/714836501.db2.gz MHTAKUHZWJZBLH-NWDGAFQWSA-N 1 0 307.350 1.620 20 5 DDBDRO COc1ccc(CN[C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)cc1[N+](=O)[O-] ZINC000925600638 714896973 /nfs/dbraw/zinc/89/69/73/714896973.db2.gz HQJPAMISDUIYHS-GWIBLVFBSA-N 1 0 303.362 1.689 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000935151027 714988987 /nfs/dbraw/zinc/98/89/87/714988987.db2.gz IPLUAFMNZVZASU-LLVKDONJSA-N 1 0 323.397 1.288 20 5 DDBDRO Cc1cc(N2CCNC(=O)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC001120896481 782217249 /nfs/dbraw/zinc/21/72/49/782217249.db2.gz NPEFYVSWKODLSN-UHFFFAOYSA-N 1 0 300.318 1.778 20 5 DDBDRO COc1cnc(-n2ccnc2[C@@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001167057176 732366648 /nfs/dbraw/zinc/36/66/48/732366648.db2.gz RXBSYHIFCFCFCQ-SNVBAGLBSA-N 1 0 303.322 1.651 20 5 DDBDRO O=C(N[C@H]1C[C@H]([NH2+]CCC2=CCCCC2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001020140113 736999312 /nfs/dbraw/zinc/99/93/12/736999312.db2.gz ZFPSHOSHBVIVQW-KBUPBQIOSA-N 1 0 307.394 1.779 20 5 DDBDRO CC[N+](C)(C)Cc1ccccc1Nc1cc(=O)n(C)c(=O)n1C ZINC001167772583 738076764 /nfs/dbraw/zinc/07/67/64/738076764.db2.gz DHELFXRHINFDKQ-UHFFFAOYSA-O 1 0 317.413 1.424 20 5 DDBDRO C[C@@H](NC(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C)c1ccc([N+](=O)[O-])cc1 ZINC000928246692 740129857 /nfs/dbraw/zinc/12/98/57/740129857.db2.gz LBZJLXMFZLQIGH-DGFSRKRXSA-N 1 0 307.350 1.227 20 5 DDBDRO Cc1ccc(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)nn1 ZINC001126926753 742683413 /nfs/dbraw/zinc/68/34/13/742683413.db2.gz RIPAHBKFXZAXAR-UHFFFAOYSA-N 1 0 315.333 1.213 20 5 DDBDRO CSCC[C@H]([NH3+])C(=O)NC[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001122353354 745404154 /nfs/dbraw/zinc/40/41/54/745404154.db2.gz INHYQIYMLYYXDW-JQWIXIFHSA-N 1 0 311.407 1.895 20 5 DDBDRO O=C(NCC1CN(Cc2ccccc2[N+](=O)[O-])C1)C1CCC1 ZINC001031511135 746923284 /nfs/dbraw/zinc/92/32/84/746923284.db2.gz WVONHQBNCWLOLK-UHFFFAOYSA-N 1 0 303.362 1.943 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H]2CCOCC23CCCC3)c1 ZINC001198755498 747599645 /nfs/dbraw/zinc/59/96/45/747599645.db2.gz ZSFFWUBOAANLSY-UONOGXRCSA-N 1 0 324.381 1.091 20 5 DDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([NH2+]CC=C(Cl)Cl)CC1 ZINC001200472495 748265114 /nfs/dbraw/zinc/26/51/14/748265114.db2.gz PNANYOXMTLJYMC-NXEZZACHSA-N 1 0 322.192 1.551 20 5 DDBDRO O=C(C[NH+]1CCCC1)NC/C=C/CNc1ccccc1[N+](=O)[O-] ZINC001107199779 749569255 /nfs/dbraw/zinc/56/92/55/749569255.db2.gz GAAYYSFDWNDYSD-ONEGZZNKSA-N 1 0 318.377 1.775 20 5 DDBDRO CC[NH+](CC)CC(=O)NC/C=C/CNc1ccc([N+](=O)[O-])cn1 ZINC001107205222 749589066 /nfs/dbraw/zinc/58/90/66/749589066.db2.gz YDDKHGNCIAODAE-AATRIKPKSA-N 1 0 321.381 1.416 20 5 DDBDRO [NH3+]Cc1cccc(-c2nnn(-c3cnc(F)c([N+](=O)[O-])c3)n2)c1 ZINC001168887926 762107283 /nfs/dbraw/zinc/10/72/83/762107283.db2.gz OQGJBTBOZQHGMM-UHFFFAOYSA-N 1 0 315.268 1.230 20 5 DDBDRO O=C(NCCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1ncccn1 ZINC001168943489 762136103 /nfs/dbraw/zinc/13/61/03/762136103.db2.gz ZAAHPZQTEMMKKO-UHFFFAOYSA-N 1 0 321.362 1.356 20 5 DDBDRO COc1cccc(CNC(=O)C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001168998328 762170811 /nfs/dbraw/zinc/17/08/11/762170811.db2.gz LHXIYOZZQMDNHZ-KGLIPLIRSA-N 1 0 321.377 1.346 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2cc(OCC3CC3)ncn2)C1 ZINC001168998873 762170975 /nfs/dbraw/zinc/17/09/75/762170975.db2.gz QRRYHXWPWRNLOK-CHWSQXEVSA-N 1 0 306.366 1.800 20 5 DDBDRO COCCOc1cc(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)ncn1 ZINC001168998439 762171105 /nfs/dbraw/zinc/17/11/05/762171105.db2.gz NBXZHCAQIXXIGX-NEPJUHHUSA-N 1 0 310.354 1.037 20 5 DDBDRO CN1C(=O)COc2ccc(C[NH2+][C@@H]3CC[C@H](C[N+](=O)[O-])C3)cc21 ZINC001169002246 762173002 /nfs/dbraw/zinc/17/30/02/762173002.db2.gz JRISJXWIOZIGRJ-QWHCGFSZSA-N 1 0 319.361 1.577 20 5 DDBDRO O=C(c1ccccc1)N1CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169006910 762174481 /nfs/dbraw/zinc/17/44/81/762174481.db2.gz KDSGYJVLWAMQEP-GOEBONIOSA-N 1 0 317.389 1.890 20 5 DDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@H+]2C[C@H]3CN(CC4CC4)C[C@@H](C2)O3)C1 ZINC001169023824 762201933 /nfs/dbraw/zinc/20/19/33/762201933.db2.gz FLWKVSDPPWPYRE-YHUYYLMFSA-N 1 0 309.410 1.227 20 5 DDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CCN(Cc3ccccn3)CC2)C1 ZINC001169025318 762203245 /nfs/dbraw/zinc/20/32/45/762203245.db2.gz YPIICSGFOJSZDH-HOCLYGCPSA-N 1 0 304.394 1.645 20 5 DDBDRO CC[N+](C)(C)Cc1ccccc1N[C@H]1CN[C@H](C(=O)OC)C1 ZINC001169132566 762249037 /nfs/dbraw/zinc/24/90/37/762249037.db2.gz RAYVYHJBXZBCLR-ZBFHGGJFSA-N 1 0 306.430 1.598 20 5 DDBDRO CC[N@H+](C)CCC(=O)N[C@H]1C[C@@H](Nc2ncccc2[N+](=O)[O-])C1 ZINC001097212359 756981547 /nfs/dbraw/zinc/98/15/47/756981547.db2.gz ROJYNRAGWMRGRV-TXEJJXNPSA-N 1 0 321.381 1.391 20 5 DDBDRO Cc1ccc(N[C@H]2C[C@@H](NC(=O)CC[NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC001097252313 757035267 /nfs/dbraw/zinc/03/52/67/757035267.db2.gz VXWHFEJDPOGAAM-BETUJISGSA-N 1 0 320.393 1.914 20 5 DDBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)c1cn[nH]c1 ZINC001020004502 760411954 /nfs/dbraw/zinc/41/19/54/760411954.db2.gz LZRAQKXXHZYCQS-JOCQHMNTSA-N 1 0 315.333 1.369 20 5 DDBDRO CCc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cc1 ZINC001020139543 760614104 /nfs/dbraw/zinc/61/41/04/760614104.db2.gz DRJFMGCLRCNGMC-KLHDSHLOSA-N 1 0 317.389 1.651 20 5 DDBDRO C[C@H](Nc1ccc2cnccc2c1[N+](=O)[O-])[C@H]1C[NH2+]CCO1 ZINC001170568760 768180581 /nfs/dbraw/zinc/18/05/81/768180581.db2.gz HIOUUBZMOZAMLE-IINYFYTJSA-N 1 0 302.334 1.932 20 5 DDBDRO O=[N+]([O-])c1cc(NC[C@H]2COCC[NH2+]2)ccc1OC(F)(F)F ZINC001170045595 764371553 /nfs/dbraw/zinc/37/15/53/764371553.db2.gz RSCVFEGLIAECPF-VIFPVBQESA-N 1 0 321.255 1.894 20 5 DDBDRO COc1ccc(C[C@H](C)[NH2+][C@@H]2CCN(C)C2=O)c([N+](=O)[O-])c1 ZINC001170309242 766259252 /nfs/dbraw/zinc/25/92/52/766259252.db2.gz PRITZRMRJBUJGE-GXFFZTMASA-N 1 0 307.350 1.355 20 5 DDBDRO CN(CC[NH3+])CCNc1ccc2cc(F)cc([N+](=O)[O-])c2n1 ZINC001170502099 767619777 /nfs/dbraw/zinc/61/97/77/767619777.db2.gz LXTDULCRMBAXTH-UHFFFAOYSA-N 1 0 307.329 1.585 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CCC[C@](C)(C[NH3+])C2)n1 ZINC001158681687 769059646 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CC[C@]([NH3+])(CO)Nc1ccc(-c2cccc([N+](=O)[O-])c2)nn1 ZINC001170859618 771755178 /nfs/dbraw/zinc/75/51/78/771755178.db2.gz SRXXWIUUNOOGNF-CQSZACIVSA-N 1 0 303.322 1.521 20 5 DDBDRO CC[C@@]([NH3+])(CO)Nc1ccc(OC(F)(F)F)c([N+](=O)[O-])c1 ZINC001170866013 771781263 /nfs/dbraw/zinc/78/12/63/771781263.db2.gz SIXBROPMHQLXKV-JTQLQIEISA-N 1 0 309.244 1.963 20 5 DDBDRO [NH3+]C[C@H]1COc2ccccc2N1c1c(F)c([N+](=O)[O-])cc[n+]1[O-] ZINC001171390244 774345088 /nfs/dbraw/zinc/34/50/88/774345088.db2.gz UWJDRQATSVABAV-VIFPVBQESA-N 1 0 320.280 1.225 20 5 DDBDRO Cc1cnc(NCCNC(=O)C[N@@H+](C)C(C)C)c([N+](=O)[O-])c1 ZINC001093674083 774989448 /nfs/dbraw/zinc/98/94/48/774989448.db2.gz NMSNINFGSYFVNA-UHFFFAOYSA-N 1 0 309.370 1.167 20 5 DDBDRO CCC[N@H+](C)CC(=O)NCCCNc1ccc([N+](=O)[O-])c(C)n1 ZINC001094517016 775973491 /nfs/dbraw/zinc/97/34/91/775973491.db2.gz AZMZMOFVQORXAA-UHFFFAOYSA-N 1 0 323.397 1.558 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CCn2cnnc2)c1F ZINC001173189376 777036516 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CN(CC[N@H+](C)CCO)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC001149204105 861486517 /nfs/dbraw/zinc/48/65/17/861486517.db2.gz FRNWANJAEDXYKS-UHFFFAOYSA-N 1 0 320.349 1.072 20 5 DDBDRO [NH3+]Cc1cn(C(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)cn1 ZINC001154906007 861557110 /nfs/dbraw/zinc/55/71/10/861557110.db2.gz QGLANEREXMFIQE-UHFFFAOYSA-N 1 0 303.656 1.896 20 5 DDBDRO C[NH+](C)C[C@H]1COCCN1c1nccc2cc([N+](=O)[O-])ccc21 ZINC001154983387 861620777 /nfs/dbraw/zinc/62/07/77/861620777.db2.gz AYKKSYGTNZYVDI-AWEZNQCLSA-N 1 0 316.361 1.910 20 5 DDBDRO CCOC(=O)c1ccnc(NC[C@@H]2C[C@H](F)C[NH2+]2)c1[N+](=O)[O-] ZINC001155039712 861667575 /nfs/dbraw/zinc/66/75/75/861667575.db2.gz XPUWAGHWNOYWAO-IUCAKERBSA-N 1 0 312.301 1.278 20 5 DDBDRO O=[N+]([O-])c1cc(Cl)[n+]([O-])c(NC[C@@]2(F)CCCC[NH2+]C2)c1 ZINC001155116942 861748959 /nfs/dbraw/zinc/74/89/59/861748959.db2.gz MUITUSRXEPACKM-GFCCVEGCSA-N 1 0 318.736 1.775 20 5 DDBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1-n1c2ccccc2nc1[C@H](C)[NH3+] ZINC001155255765 861902549 /nfs/dbraw/zinc/90/25/49/861902549.db2.gz WMJXLKVRZOBAIZ-JTQLQIEISA-N 1 0 313.317 1.895 20 5 DDBDRO [NH3+][C@H]1COC[C@H]1Nc1cc(Cl)nc2ccc([N+](=O)[O-])cc21 ZINC001155354593 861989221 /nfs/dbraw/zinc/98/92/21/861989221.db2.gz LOOGUWOXPKPIAU-JOYOIKCWSA-N 1 0 308.725 1.934 20 5 DDBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC001150030319 862037784 /nfs/dbraw/zinc/03/77/84/862037784.db2.gz LHNSTEVKAGJJNX-PWSUYJOCSA-N 1 0 320.349 1.252 20 5 DDBDRO O=C1C[C@@H]2[NH2+]CC[C@@]2(Nc2nccc3cc([N+](=O)[O-])ccc32)N1 ZINC001155580678 862251971 /nfs/dbraw/zinc/25/19/71/862251971.db2.gz NUWQSFRZKKBBGO-WFASDCNBSA-N 1 0 313.317 1.133 20 5 DDBDRO COc1nc(N[C@H]2CCCC[C@@]23C[NH2+]CCO3)ccc1[N+](=O)[O-] ZINC001155824907 862478272 /nfs/dbraw/zinc/47/82/72/862478272.db2.gz YLIQOICWBKFKLI-SWLSCSKDSA-N 1 0 322.365 1.712 20 5 DDBDRO CN(CCCNC(=O)CC[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC001095732135 855180672 /nfs/dbraw/zinc/18/06/72/855180672.db2.gz MROZPTVOLMETKS-UHFFFAOYSA-N 1 0 308.382 1.489 20 5 DDBDRO COC(=O)C1(Nc2cc([N+](=O)[O-])cc(Cl)n2)CC[NH2+]CC1 ZINC001156528401 863121825 /nfs/dbraw/zinc/12/18/25/863121825.db2.gz ACMJBRMNXQMCRJ-UHFFFAOYSA-N 1 0 314.729 1.350 20 5 DDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CC[N@H+](CCC(F)(F)F)C2 ZINC001072725831 857641935 /nfs/dbraw/zinc/64/19/35/857641935.db2.gz SBVFLBKDPCWZAS-NXEZZACHSA-N 1 0 321.299 1.138 20 5 DDBDRO CCC[N@@H+]1CC[C@@H](NC(=O)c2cc(C)cc([N+](=O)[O-])c2N)C1 ZINC001328498508 863009312 /nfs/dbraw/zinc/00/93/12/863009312.db2.gz CFNDFCMMUODFCL-LLVKDONJSA-N 1 0 306.366 1.700 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@]3(C2)CCCC[NH2+]3)c1 ZINC001122242125 858722893 /nfs/dbraw/zinc/72/28/93/858722893.db2.gz XIIBLPUBSZRRBF-INIZCTEOSA-N 1 0 319.361 1.962 20 5 DDBDRO [NH3+]CC[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC001122295793 858741155 /nfs/dbraw/zinc/74/11/55/858741155.db2.gz MZMGDMKGYBJHEV-BYCMXARLSA-N 1 0 303.362 1.896 20 5 DDBDRO CN(CC(=O)N1CC[C@H]2CC[C@]21C[NH3+])c1ccccc1[N+](=O)[O-] ZINC001122411687 858797845 /nfs/dbraw/zinc/79/78/45/858797845.db2.gz QZIVJAOPRWWYTE-WBMJQRKESA-N 1 0 318.377 1.371 20 5 DDBDRO Nc1c(Cl)cc(C(=O)NCC[N@H+]2CC=CCC2)cc1[N+](=O)[O-] ZINC001156480235 863085944 /nfs/dbraw/zinc/08/59/44/863085944.db2.gz XPEBFGOXVDGMIH-UHFFFAOYSA-N 1 0 324.768 1.822 20 5 DDBDRO [NH3+]Cc1nn(-c2cc([N+](=O)[O-])cc(Cl)[n+]2[O-])c2ccccc12 ZINC001156860358 863402391 /nfs/dbraw/zinc/40/23/91/863402391.db2.gz GGJDGTPTACMXTH-UHFFFAOYSA-N 1 0 319.708 1.679 20 5 DDBDRO Cc1ccc(C(=O)N2CC([NH2+][C@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC001157006438 863515424 /nfs/dbraw/zinc/51/54/24/863515424.db2.gz NBEHIKKQFKHCNF-LBPRGKRZSA-N 1 0 305.334 1.106 20 5 DDBDRO Cc1cc(Cl)c([N+](=O)[O-])c(NC(=N)NCCCC[NH3+])n1 ZINC001157096559 863573610 /nfs/dbraw/zinc/57/36/10/863573610.db2.gz KNSSPMBJZOCXEN-UHFFFAOYSA-N 1 0 300.750 1.627 20 5 DDBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CCCC[C@]12CCC[NH2+]C2 ZINC001157472535 863846619 /nfs/dbraw/zinc/84/66/19/863846619.db2.gz ZKZDZGHHHZXKAD-OAHLLOKOSA-N 1 0 306.366 1.649 20 5 DDBDRO Cc1nc[nH]c1C(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001153816575 864129475 /nfs/dbraw/zinc/12/94/75/864129475.db2.gz FLXUGHROPJDFIJ-UHFFFAOYSA-N 1 0 303.322 1.146 20 5 DDBDRO Cc1c[nH+]ccc1N1CCN(c2ncc([N+](=O)[O-])c(C)n2)CC1 ZINC001158107850 864433979 /nfs/dbraw/zinc/43/39/79/864433979.db2.gz JUOXPOZUSZHHMF-UHFFFAOYSA-N 1 0 314.349 1.723 20 5 DDBDRO Cc1c(C)c(N2CCC(N3CC[C@H]([NH3+])C3)CC2)ncc1[N+](=O)[O-] ZINC001158262351 864526444 /nfs/dbraw/zinc/52/64/44/864526444.db2.gz RQLXMBJDKWZMAX-ZDUSSCGKSA-N 1 0 319.409 1.608 20 5 DDBDRO [NH3+][C@H]1CN(c2nc3ccccc3cc2[N+](=O)[O-])CC12COC2 ZINC001158765841 864890604 /nfs/dbraw/zinc/89/06/04/864890604.db2.gz LPWXEIQSHIIDBO-ZDUSSCGKSA-N 1 0 300.318 1.307 20 5 DDBDRO [NH3+]Cc1ccc2nnn(-c3c(Cl)[n+]([O-])ccc3[N+](=O)[O-])c2c1 ZINC001159029715 865058195 /nfs/dbraw/zinc/05/81/95/865058195.db2.gz WVSFNYSGNLPCAZ-UHFFFAOYSA-N 1 0 320.696 1.074 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(N[C@@H](C)[C@@H]2C[NH2+]CCO2)nc1Cl ZINC001159496599 865346831 /nfs/dbraw/zinc/34/68/31/865346831.db2.gz KKLHVMGPTABAKA-WPRPVWTQSA-N 1 0 300.746 1.740 20 5 DDBDRO Cc1nc(-n2nc(-c3ccncc3)cc2C[NH3+])ncc1[N+](=O)[O-] ZINC001160339564 865791956 /nfs/dbraw/zinc/79/19/56/865791956.db2.gz OZXDRYRVHMNIOV-UHFFFAOYSA-N 1 0 311.305 1.400 20 5 DDBDRO C[NH+](C)C1CN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCCO3)C1 ZINC001333098980 866419397 /nfs/dbraw/zinc/41/93/97/866419397.db2.gz DBECTPZKPQRFCU-UHFFFAOYSA-N 1 0 321.333 1.142 20 5 DDBDRO [NH3+][C@H]1CC[C@H](N(c2ncc([N+](=O)[O-])cc2F)C2COC2)CC1 ZINC001161277614 866488676 /nfs/dbraw/zinc/48/86/76/866488676.db2.gz ZNPOMVACUIBGHF-MGCOHNPYSA-N 1 0 310.329 1.604 20 5 DDBDRO CCC1([NH3+])CCN(C(=O)c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC001333255318 866565194 /nfs/dbraw/zinc/56/51/94/866565194.db2.gz WKZCFMHODGQWKJ-UHFFFAOYSA-N 1 0 307.350 1.947 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cncc(Br)c1 ZINC001225728313 881994947 /nfs/dbraw/zinc/99/49/47/881994947.db2.gz WKNSXJPDSCIPKL-SNVBAGLBSA-N 1 0 318.191 1.207 20 5 DDBDRO COc1nc(C)c([N+](=O)[O-])c(N(CC[NH3+])c2ccc(F)cc2)n1 ZINC001161880210 867065586 /nfs/dbraw/zinc/06/55/86/867065586.db2.gz AQJKABIJTNHQQE-UHFFFAOYSA-N 1 0 321.312 1.938 20 5 DDBDRO C[NH+]1CCC(OCC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001333876956 867104154 /nfs/dbraw/zinc/10/41/54/867104154.db2.gz NVAOEURDNWYCMS-UHFFFAOYSA-N 1 0 319.361 1.548 20 5 DDBDRO C[C@@H](CN1CC[NH2+]CC1)Nc1cc([N+](=O)[O-])cc2cc[nH]c21 ZINC001162097538 867251210 /nfs/dbraw/zinc/25/12/10/867251210.db2.gz SCVAVMDCVQHQSG-NSHDSACASA-N 1 0 303.366 1.782 20 5 DDBDRO O=C(NC/C=C\C[NH2+]Cc1ccccc1[N+](=O)[O-])c1cc[nH]c1 ZINC001321069566 867285001 /nfs/dbraw/zinc/28/50/01/867285001.db2.gz ITYZBDNEXNRJON-ARJAWSKDSA-N 1 0 314.345 1.999 20 5 DDBDRO Cc1nc(Cl)c([N+](=O)[O-])c(-n2c(C[NH3+])nc3cnccc32)n1 ZINC001162215349 867344759 /nfs/dbraw/zinc/34/47/59/867344759.db2.gz VHMCVUKDGFASKO-UHFFFAOYSA-N 1 0 319.712 1.539 20 5 DDBDRO C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])o3)C[C@H]2C1 ZINC001334831290 867852125 /nfs/dbraw/zinc/85/21/25/867852125.db2.gz HEHPUGQJSGQTQP-QJPTWQEYSA-N 1 0 307.350 1.990 20 5 DDBDRO COC(=O)[C@@H](Nc1ncc2cccc([N+](=O)[O-])c2n1)C(C)(C)[NH3+] ZINC001162945823 867933701 /nfs/dbraw/zinc/93/37/01/867933701.db2.gz LTJHFZMPSIHZTE-LLVKDONJSA-N 1 0 319.321 1.229 20 5 DDBDRO COc1nc(Nc2ccc([C@@H](C[NH3+])CO)cc2)ccc1[N+](=O)[O-] ZINC001163053293 868041324 /nfs/dbraw/zinc/04/13/24/868041324.db2.gz PJRLOWDEJGLJNM-NSHDSACASA-N 1 0 318.333 1.777 20 5 DDBDRO O=[N+]([O-])c1c[nH]c2nc(N[C@@H]3COCCC34C[NH2+]C4)ccc12 ZINC001163067889 868051916 /nfs/dbraw/zinc/05/19/16/868051916.db2.gz DFADTNYGZAMQIE-LLVKDONJSA-N 1 0 303.322 1.262 20 5 DDBDRO O=[N+]([O-])c1cc2c(ncnc2NC[C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)s1 ZINC001163101828 868100768 /nfs/dbraw/zinc/10/07/68/868100768.db2.gz XVSFZFBQRZAQBT-SZEHBUNVSA-N 1 0 321.362 1.246 20 5 DDBDRO O=C1C[C@H]2[NH2+]CC[C@]2(Nc2ncnc3cc4ccccc4cc32)N1 ZINC001163238453 868246187 /nfs/dbraw/zinc/24/61/87/868246187.db2.gz CJRXWBFCJRHMFO-CRAIPNDOSA-N 1 0 319.368 1.773 20 5 DDBDRO CC[C@@H]1COCCN1CC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001335458051 868313909 /nfs/dbraw/zinc/31/39/09/868313909.db2.gz PPBNGXJHAHBSBH-ZBFHGGJFSA-N 1 0 323.393 1.329 20 5 DDBDRO COC(=O)c1ccc([C@H]([NH3+])CNc2cc([N+](=O)[O-])ccn2)cc1 ZINC001163462512 868470747 /nfs/dbraw/zinc/47/07/47/868470747.db2.gz QXRMUTNSFQXBHN-CYBMUJFWSA-N 1 0 316.317 1.888 20 5 DDBDRO Cn1cc(NCc2cccc(C[NH+](C)C)c2)cc([N+](=O)[O-])c1=O ZINC001163993229 868858152 /nfs/dbraw/zinc/85/81/52/868858152.db2.gz HRNXLAXANPOVTC-UHFFFAOYSA-N 1 0 316.361 1.967 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCCNC(=O)C1(C)CCC1 ZINC001164007928 868871790 /nfs/dbraw/zinc/87/17/90/868871790.db2.gz PJNCKFOKVLBMSZ-UHFFFAOYSA-N 1 0 309.370 1.114 20 5 DDBDRO O=[N+]([O-])c1cnccc1N1CC[NH2+][C@H](c2ccc(O)cc2)C1 ZINC001164036092 868904697 /nfs/dbraw/zinc/90/46/97/868904697.db2.gz AVFVSOPAEFXSNU-ZDUSSCGKSA-N 1 0 300.318 1.846 20 5 DDBDRO CCOC(=O)c1ccnc(N2C[C@H](C)CC[C@@H]2C[NH3+])c1[N+](=O)[O-] ZINC001164076568 868927259 /nfs/dbraw/zinc/92/72/59/868927259.db2.gz FIEMTQDAXLJMNG-GHMZBOCLSA-N 1 0 322.365 1.730 20 5 DDBDRO [NH3+][C@H]1[C@H]2CN(C(F)(F)c3cc([N+](=O)[O-])cnc3Cl)C[C@@H]12 ZINC001165383485 869556650 /nfs/dbraw/zinc/55/66/50/869556650.db2.gz ZYDLEYKRSXNMAM-SRSLHRDFSA-N 1 0 304.684 1.581 20 5 DDBDRO Cc1nc(Cl)nc(N2CCC(C3C[NH2+]C3)CC2)c1[N+](=O)[O-] ZINC001165409053 869575509 /nfs/dbraw/zinc/57/55/09/869575509.db2.gz NBNDEPPUOYVQHS-UHFFFAOYSA-N 1 0 311.773 1.782 20 5 DDBDRO COC(=O)C1(Nc2ccc(N(C)C)cc2[N+](=O)[O-])CC[NH2+]CC1 ZINC001166954716 870415760 /nfs/dbraw/zinc/41/57/60/870415760.db2.gz QDRONVGBHMORHZ-UHFFFAOYSA-N 1 0 322.365 1.368 20 5 DDBDRO C[C@H](c1nnc(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)n1C)[N+](=O)[O-] ZINC001339670214 870618687 /nfs/dbraw/zinc/61/86/87/870618687.db2.gz XTGJCMIDGUKNOV-NWDGAFQWSA-N 1 0 322.413 1.463 20 5 DDBDRO CC[C@H]([NH2+]C[C@H](O)C[C@@]1(O)CCOC1)c1cccc([N+](=O)[O-])c1 ZINC001307634093 871445525 /nfs/dbraw/zinc/44/55/25/871445525.db2.gz YBNVOWIYDOUCGU-PMPSAXMXSA-N 1 0 324.377 1.538 20 5 DDBDRO CN(C)C(=O)[C@H]1CCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001308109352 871472267 /nfs/dbraw/zinc/47/22/67/871472267.db2.gz VMMLXNVERUDWHG-ZFWWWQNUSA-N 1 0 321.377 1.428 20 5 DDBDRO CCNC(=O)[C@@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)C(C)C ZINC001308781407 871528583 /nfs/dbraw/zinc/52/85/83/871528583.db2.gz AKUCIHLYEBGYKB-XIVSLSHWSA-N 1 0 309.370 1.245 20 5 DDBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cn(C)cn1 ZINC001308976182 871539690 /nfs/dbraw/zinc/53/96/90/871539690.db2.gz RBDQCISVXNFHHA-NSHDSACASA-N 1 0 317.349 1.835 20 5 DDBDRO COc1cccc(C(=O)NC[C@]23CCC[C@H]2[NH2+]CC3)c1[N+](=O)[O-] ZINC001341187924 871547882 /nfs/dbraw/zinc/54/78/82/871547882.db2.gz MZJSFNAHFSFQBE-CZUORRHYSA-N 1 0 319.361 1.865 20 5 DDBDRO O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCC2(CC1)C[NH2+]CCO2 ZINC001341206627 871557442 /nfs/dbraw/zinc/55/74/42/871557442.db2.gz OLRSKCVXLNGTBC-UHFFFAOYSA-N 1 0 323.324 1.329 20 5 DDBDRO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@@H]3C[C@H]4COC[C@@H]4O3)CC2)n1 ZINC001341394327 871640547 /nfs/dbraw/zinc/64/05/47/871640547.db2.gz YJMQSIAZUVZMGE-UBHSHLNASA-N 1 0 322.365 1.232 20 5 DDBDRO O=C(COc1ccccc1[N+](=O)[O-])NC1(C2CC[NH2+]CC2)CC1 ZINC001341521592 871693342 /nfs/dbraw/zinc/69/33/42/871693342.db2.gz JEYONDUMNRVDGS-UHFFFAOYSA-N 1 0 319.361 1.622 20 5 DDBDRO Cc1cc(NC(=O)NC[C@@]2(O)CC[N@@H+](C)C2)cc([N+](=O)[O-])c1 ZINC001311323312 871694050 /nfs/dbraw/zinc/69/40/50/871694050.db2.gz UGWMFVKADKRFDH-AWEZNQCLSA-N 1 0 308.338 1.091 20 5 DDBDRO O=C(CCc1cc(F)ccc1[N+](=O)[O-])N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC001341686241 871775482 /nfs/dbraw/zinc/77/54/82/871775482.db2.gz LDENDNNXYRLUIO-JSGCOSHPSA-N 1 0 321.352 1.877 20 5 DDBDRO [NH3+]C[C@H]1C[C@H](NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC001342961011 872450473 /nfs/dbraw/zinc/45/04/73/872450473.db2.gz LPSKOWKMFSOISD-XWEPSHTISA-N 1 0 315.732 1.783 20 5 DDBDRO C[C@@H](C[N+](C)(C)C)Oc1ncncc1I ZINC001226801237 882637945 /nfs/dbraw/zinc/63/79/45/882637945.db2.gz WSODBMNDSLURRY-QMMMGPOBSA-N 1 0 322.170 1.555 20 5 DDBDRO C[C@H](COC(=O)CCC(C)(C)[N+](=O)[O-])C[NH+]1CCOCC1 ZINC001344814042 873128898 /nfs/dbraw/zinc/12/88/98/873128898.db2.gz FYNSATDNDRWOTH-LBPRGKRZSA-N 1 0 302.371 1.333 20 5 DDBDRO O=C(N[C@H]1C[NH+]2CCC1CC2)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC001347292504 874086246 /nfs/dbraw/zinc/08/62/46/874086246.db2.gz PBALRSWWLLBTSQ-NSHDSACASA-N 1 0 319.317 1.148 20 5 DDBDRO C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001347505017 874165491 /nfs/dbraw/zinc/16/54/91/874165491.db2.gz UOOJJDVBKDPNPE-KGLIPLIRSA-N 1 0 307.350 1.229 20 5 DDBDRO CC(C)Cn1c(C[N+](=O)[O-])nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001347598951 874205653 /nfs/dbraw/zinc/20/56/53/874205653.db2.gz CABYXGAPASYMIA-UHFFFAOYSA-N 1 0 324.429 1.631 20 5 DDBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1ncc([N+](=O)[O-])cc1[N+](=O)[O-])C2 ZINC001227109368 882840753 /nfs/dbraw/zinc/84/07/53/882840753.db2.gz XZLKVQHOLCZVLD-DOFRTFSJSA-N 1 0 308.294 1.902 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@](O)(C[NH+](C)C)C1 ZINC001350186811 875568954 /nfs/dbraw/zinc/56/89/54/875568954.db2.gz CCEOJZXPXPLJQU-OAHLLOKOSA-N 1 0 307.350 1.042 20 5 DDBDRO Cn1c(C[N+](=O)[O-])nnc1N1CC[NH+](CC2CCCCC2)CC1 ZINC001350599411 875780295 /nfs/dbraw/zinc/78/02/95/875780295.db2.gz UOOWKSFHIXNWAB-UHFFFAOYSA-N 1 0 322.413 1.294 20 5 DDBDRO Cn1nnnc1CCC[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC001352100490 876599008 /nfs/dbraw/zinc/59/90/08/876599008.db2.gz QPZJPCPSTOWGKD-QPJJXVBHSA-N 1 0 302.338 1.354 20 5 DDBDRO CC1(C)CC[N@H+](CCNC(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC001215997636 876839352 /nfs/dbraw/zinc/83/93/52/876839352.db2.gz FYBRDTLDTPMSEL-UHFFFAOYSA-N 1 0 307.354 1.265 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@H]1COC2(C[NH2+]C2)C1 ZINC001354261000 877843430 /nfs/dbraw/zinc/84/34/30/877843430.db2.gz XFVYUFIDVVNYIT-LLVKDONJSA-N 1 0 305.334 1.072 20 5 DDBDRO Nc1ccc2n(C(=O)[C@@H]3C[C@H](O)C[NH2+]3)c3ccccc3cc-2c1=O ZINC001219255952 878060333 /nfs/dbraw/zinc/06/03/33/878060333.db2.gz OBXZSWJPESTBSZ-FZMZJTMJSA-N 1 0 323.352 1.052 20 5 DDBDRO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C2 ZINC001355587599 878632140 /nfs/dbraw/zinc/63/21/40/878632140.db2.gz RNFHWEUFMLYROV-COFMXFHOSA-N 1 0 301.346 1.946 20 5 DDBDRO C[C@H](CNC(=O)[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1ccccc1[N+](=O)[O-] ZINC001358389126 880418656 /nfs/dbraw/zinc/41/86/56/880418656.db2.gz RICLPVCILKIWTK-ZMJPVWNMSA-N 1 0 303.362 1.955 20 5 DDBDRO COC(=O)c1cccc([N+](=O)[O-])c1COC1CC[NH+](C)CC1 ZINC001222774252 880693820 /nfs/dbraw/zinc/69/38/20/880693820.db2.gz PMEOSPIZMIBHEW-UHFFFAOYSA-N 1 0 308.334 1.992 20 5 DDBDRO CC[N@@H+]1CC[C@@H](OCc2ccc([N+](=O)[O-])cc2C(=O)OC)C1 ZINC001223449765 880966117 /nfs/dbraw/zinc/96/61/17/880966117.db2.gz GTWKJWITLIWEKS-CYBMUJFWSA-N 1 0 308.334 1.992 20 5 DDBDRO CC[N@@H+]1CC[C@H](OCc2cc(C(=O)OC)cc([N+](=O)[O-])c2)C1 ZINC001223688265 881057427 /nfs/dbraw/zinc/05/74/27/881057427.db2.gz HEDWMPUGYOOTKV-AWEZNQCLSA-N 1 0 308.334 1.992 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccnc(Cl)c1[N+](=O)[O-] ZINC001228058567 883310348 /nfs/dbraw/zinc/31/03/48/883310348.db2.gz WENDPGGZUKKKMU-MRVPVSSYSA-N 1 0 318.737 1.006 20 5 DDBDRO O=c1[nH]cnc(OC2CCN(c3cc[nH+]cc3)CC2)c1[N+](=O)[O-] ZINC001228140738 883358524 /nfs/dbraw/zinc/35/85/24/883358524.db2.gz MUTYKMJOEKDAEF-UHFFFAOYSA-N 1 0 317.305 1.533 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccnn1-c1ccccc1 ZINC001229368584 883949810 /nfs/dbraw/zinc/94/98/10/883949810.db2.gz DYTHXOCAAAJJLH-CQSZACIVSA-N 1 0 304.370 1.235 20 5 DDBDRO CN1[C@@H]2C[C@@H](Oc3ccc([N+](=O)[O-])nc3Cl)[C@H]1CC(=O)C2 ZINC001229915083 884230887 /nfs/dbraw/zinc/23/08/87/884230887.db2.gz JOQKBICIICLQDR-JVUFJMBOSA-N 1 0 311.725 1.826 20 5 DDBDRO COC(=O)c1cc(O[C@H]2CCC[N@H+](C)C2)c(F)cc1[N+](=O)[O-] ZINC001229942925 884240868 /nfs/dbraw/zinc/24/08/68/884240868.db2.gz RHZOZWAZWOTFJM-VIFPVBQESA-N 1 0 312.297 1.994 20 5 DDBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@H]2COC3(C[NH2+]C3)C2)n1 ZINC001247872070 893446561 /nfs/dbraw/zinc/44/65/61/893446561.db2.gz KEEMTZSFDPIBSV-SSDOTTSWSA-N 1 0 321.268 1.025 20 5 DDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCc1c[nH][nH]c1=O ZINC001254536835 896491521 /nfs/dbraw/zinc/49/15/21/896491521.db2.gz UJTZEQDTZJSTBG-AAEUAGOBSA-N 1 0 304.350 1.627 20 5 DDBDRO CCOC(=O)CN(CC[NH3+])[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254539068 896494407 /nfs/dbraw/zinc/49/44/07/896494407.db2.gz BBQOSVWZHQIQFV-GFCCVEGCSA-N 1 0 309.366 1.350 20 5 DDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCN1C(=O)C=CC1=O ZINC001254537988 896494451 /nfs/dbraw/zinc/49/44/51/896494451.db2.gz LNGLXUJPPJKHCL-NSHDSACASA-N 1 0 303.318 1.040 20 5 DDBDRO O=C1NCC[C@]12CCC[N@@H+]([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254598327 896523742 /nfs/dbraw/zinc/52/37/42/896523742.db2.gz WHRJMOOUTXTYJI-WBVHZDCISA-N 1 0 315.373 1.664 20 5 DDBDRO COc1cc(N2CCC([NH2+][C@@H](C)C(N)=O)CC2)ccc1[N+](=O)[O-] ZINC001256082197 897277207 /nfs/dbraw/zinc/27/72/07/897277207.db2.gz AXRVMKDMIGWCEX-JTQLQIEISA-N 1 0 322.365 1.036 20 5 DDBDRO Cc1nc(NCC(C)(C)N2CC[NH+](C)CC2)ncc1[N+](=O)[O-] ZINC001261260735 899438669 /nfs/dbraw/zinc/43/86/69/899438669.db2.gz WLLIYZONBHKYMN-UHFFFAOYSA-N 1 0 308.386 1.131 20 5 DDBDRO [NH3+][C@@H]1CCCC[C@@H]1C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001261495625 899608238 /nfs/dbraw/zinc/60/82/38/899608238.db2.gz NSNSOJRMIHLBMD-GXSJLCMTSA-N 1 0 303.322 1.927 20 5 DDBDRO Cc1nc(N2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)ncc1[N+](=O)[O-] ZINC001262377091 900137809 /nfs/dbraw/zinc/13/78/09/900137809.db2.gz LQWTTWOTCHUZSX-RWMBFGLXSA-N 1 0 305.382 1.860 20 5 DDBDRO CC(C)N(C)CC[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC001262564503 900248142 /nfs/dbraw/zinc/24/81/42/900248142.db2.gz KFUSBHGQBYNKDU-ZDUSSCGKSA-N 1 0 311.382 1.264 20 5 DDBDRO C[C@H](CNC(=O)NC[C@H]1CCC[NH2+]1)c1ccccc1[N+](=O)[O-] ZINC001262584401 900261678 /nfs/dbraw/zinc/26/16/78/900261678.db2.gz BALUULVPCBPNBW-VXGBXAGGSA-N 1 0 306.366 1.750 20 5 DDBDRO C[N@@H+]1CCCC[C@@H]1CNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC001262653033 900286839 /nfs/dbraw/zinc/28/68/39/900286839.db2.gz XHKBYSXPPAIUHU-GFCCVEGCSA-N 1 0 306.366 1.607 20 5 DDBDRO O=C(NCc1cccc([N+](=O)[O-])c1)[C@@H]1C[NH2+]CCC12CCC2 ZINC001263072401 900482141 /nfs/dbraw/zinc/48/21/41/900482141.db2.gz BGGCWYKSKLXADT-AWEZNQCLSA-N 1 0 303.362 1.991 20 5 DDBDRO CC1(C)[NH2+]CC[C@@H]1NC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001263111177 900503711 /nfs/dbraw/zinc/50/37/11/900503711.db2.gz UYQHIVLRTWSRGC-IHRRRGAJSA-N 1 0 303.362 1.955 20 5 DDBDRO CCN(C(=O)CCOc1ccccc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC001263333791 900579090 /nfs/dbraw/zinc/57/90/90/900579090.db2.gz SXUMQJSBAYKBCP-ZDUSSCGKSA-N 1 0 321.377 1.964 20 5 DDBDRO CC(=O)NCCC[NH+]1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001265237049 901759495 /nfs/dbraw/zinc/75/94/95/901759495.db2.gz MGAGJNUEVGPWMY-UHFFFAOYSA-N 1 0 320.393 1.239 20 5 DDBDRO CC[C@H](CO)[N@H+](C)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000295611727 529381907 /nfs/dbraw/zinc/38/19/07/529381907.db2.gz DEXGORMKOFCEOI-SNVBAGLBSA-N 1 0 315.757 1.889 20 5 DDBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000278658012 214307077 /nfs/dbraw/zinc/30/70/77/214307077.db2.gz NWGGZEIXYAMYSX-CYBMUJFWSA-N 1 0 323.393 1.990 20 5 DDBDRO C[C@@]12C[N@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000451378523 231081853 /nfs/dbraw/zinc/08/18/53/231081853.db2.gz YCSRAVJDXLUOAI-CQOGHXNDSA-N 1 0 318.377 1.296 20 5 DDBDRO CCc1n[nH]c(C(=O)N(C)[C@@H]2CC[N@@H+](CC)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000444260994 529465196 /nfs/dbraw/zinc/46/51/96/529465196.db2.gz PYIDFOUHGSIRQS-WDEREUQCSA-N 1 0 323.397 1.825 20 5 DDBDRO COC[C@H](C)OC[C@H](O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000278215840 214028265 /nfs/dbraw/zinc/02/82/65/214028265.db2.gz DMUSHDAZGROOJD-YWPYICTPSA-N 1 0 312.366 1.658 20 5 DDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H]([NH3+])C(C)C ZINC000415452708 529730298 /nfs/dbraw/zinc/73/02/98/529730298.db2.gz YSQAUAWJJUOWHY-LBPRGKRZSA-N 1 0 322.365 1.195 20 5 DDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCO[C@H](C[NH3+])C1 ZINC000415769341 529730497 /nfs/dbraw/zinc/73/04/97/529730497.db2.gz WSRTWYWKFYGTDQ-GFCCVEGCSA-N 1 0 308.338 1.349 20 5 DDBDRO C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)C[C@H]2C1 ZINC000413761742 529823460 /nfs/dbraw/zinc/82/34/60/529823460.db2.gz TVNUYPQGHWIAEE-LQKXBSAESA-N 1 0 315.373 1.718 20 5 DDBDRO CN(CC(=O)N(C)C1CC[NH+](C)CC1)c1ccccc1[N+](=O)[O-] ZINC000173013955 282339448 /nfs/dbraw/zinc/33/94/48/282339448.db2.gz GPECMAIJVOOTCP-UHFFFAOYSA-N 1 0 320.393 1.584 20 5 DDBDRO C[NH+](C)CC(C)(C)NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000457206082 232014179 /nfs/dbraw/zinc/01/41/79/232014179.db2.gz LIGKPNHYQTYCFG-UHFFFAOYSA-N 1 0 309.366 1.820 20 5 DDBDRO Cc1cc(NC(=O)c2cc([N+](=O)[O-])nn2C)ccc1C[NH+](C)C ZINC000458259577 232313010 /nfs/dbraw/zinc/31/30/10/232313010.db2.gz GZQHDZXEJLKVSV-UHFFFAOYSA-N 1 0 317.349 1.951 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCc2ccccc2F)c1 ZINC000314730714 290807318 /nfs/dbraw/zinc/80/73/18/290807318.db2.gz QOQQAQRDANZJDR-CYBMUJFWSA-N 1 0 308.313 1.124 20 5 DDBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000121246230 185771156 /nfs/dbraw/zinc/77/11/56/185771156.db2.gz JFAWDLMMMDJZQS-DOMZBBRYSA-N 1 0 305.378 1.936 20 5 DDBDRO CC(C)(C)[C@H]([NH3+])C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000320261099 290819330 /nfs/dbraw/zinc/81/93/30/290819330.db2.gz RMKZDMBSBOPVFI-CYBMUJFWSA-N 1 0 321.381 1.012 20 5 DDBDRO C[NH+](C)C1CN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC000279791063 215148443 /nfs/dbraw/zinc/14/84/43/215148443.db2.gz ISMZKNXSBINNRM-UHFFFAOYSA-N 1 0 315.732 1.702 20 5 DDBDRO O=[N+]([O-])c1cccnc1NC[C@@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000360230051 306978162 /nfs/dbraw/zinc/97/81/62/306978162.db2.gz LWPNGCKTUZAONB-STQMWFEESA-N 1 0 306.366 1.903 20 5 DDBDRO COCCC[N@H+](C)CCNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000152405054 186069480 /nfs/dbraw/zinc/06/94/80/186069480.db2.gz RGPPVTKDTFTQJF-UHFFFAOYSA-N 1 0 309.366 1.222 20 5 DDBDRO C[C@H]1CN(Cc2csc([N+](=O)[O-])c2)CC[N@@H+]1CC(C)(C)O ZINC000189934968 186251811 /nfs/dbraw/zinc/25/18/11/186251811.db2.gz USDGHNLPZYFILW-NSHDSACASA-N 1 0 313.423 1.933 20 5 DDBDRO NC(=O)c1ccc(NC2CC[NH+](C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000014327324 352151014 /nfs/dbraw/zinc/15/10/14/352151014.db2.gz HTLQLXLSTHCFIY-UHFFFAOYSA-N 1 0 304.350 1.732 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000046996646 352475994 /nfs/dbraw/zinc/47/59/94/352475994.db2.gz MJJUUVWLZXSUKG-UONOGXRCSA-N 1 0 319.361 1.960 20 5 DDBDRO CCC[NH+]1CCC(NC(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000061031583 352883714 /nfs/dbraw/zinc/88/37/14/352883714.db2.gz CLTVDVLMFVHOJP-UHFFFAOYSA-N 1 0 321.377 1.964 20 5 DDBDRO C[N@H+](CCNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000067717829 353064327 /nfs/dbraw/zinc/06/43/27/353064327.db2.gz SIGPXVNLZPEMHE-UHFFFAOYSA-N 1 0 313.379 1.108 20 5 DDBDRO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000067837660 353070153 /nfs/dbraw/zinc/07/01/53/353070153.db2.gz SONSJJQFVUKQLN-HZPDHXFCSA-N 1 0 317.389 1.680 20 5 DDBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000173564324 198227964 /nfs/dbraw/zinc/22/79/64/198227964.db2.gz ZALOMTPQVPANAM-GFCCVEGCSA-N 1 0 320.393 1.981 20 5 DDBDRO Cc1c(NC(=O)C(=O)N[C@H](C)CC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000068644508 353123891 /nfs/dbraw/zinc/12/38/91/353123891.db2.gz JMBJPTAOFHRLMA-SNVBAGLBSA-N 1 0 322.365 1.298 20 5 DDBDRO C[NH+](C)C/C=C/C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000491861388 234317888 /nfs/dbraw/zinc/31/78/88/234317888.db2.gz AMLVKVMXTDCNHG-PCAWENJQSA-N 1 0 319.365 1.120 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC([NH+](C)C)CC1 ZINC000073842811 353274488 /nfs/dbraw/zinc/27/44/88/353274488.db2.gz LCCXXNBFGORXSF-UHFFFAOYSA-N 1 0 307.350 1.770 20 5 DDBDRO CC[C@@H](C(N)=O)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174246160 198309931 /nfs/dbraw/zinc/30/99/31/198309931.db2.gz QIOLPISHALYHRI-AWEZNQCLSA-N 1 0 307.350 1.702 20 5 DDBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000174473450 198339023 /nfs/dbraw/zinc/33/90/23/198339023.db2.gz CWGQFEKWTDUFDR-CYBMUJFWSA-N 1 0 305.378 1.938 20 5 DDBDRO C[C@H]1CCCC[N@@H+]1CCNc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000079914528 353581855 /nfs/dbraw/zinc/58/18/55/353581855.db2.gz DEONKRBEWHLUJN-NSHDSACASA-N 1 0 306.366 1.980 20 5 DDBDRO C[C@@H]1CCCC[N@@H+]1CCNc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000079914524 353582164 /nfs/dbraw/zinc/58/21/64/353582164.db2.gz DEONKRBEWHLUJN-LLVKDONJSA-N 1 0 306.366 1.980 20 5 DDBDRO COC1CC[NH+](CCNC(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000079998162 353586576 /nfs/dbraw/zinc/58/65/76/353586576.db2.gz PQUJAFFXNIZGMS-UHFFFAOYSA-N 1 0 307.350 1.435 20 5 DDBDRO C[C@@H](CC[NH+](C)C)NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000080255764 353599525 /nfs/dbraw/zinc/59/95/25/353599525.db2.gz OTWMQJGTULZHEQ-LBPRGKRZSA-N 1 0 308.382 1.487 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000088718357 353758133 /nfs/dbraw/zinc/75/81/33/353758133.db2.gz PAPWLLYPXZHOOK-ZDUSSCGKSA-N 1 0 320.393 1.903 20 5 DDBDRO CCc1nn(C)c(N2CCC[C@H]([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000091453515 353826724 /nfs/dbraw/zinc/82/67/24/353826724.db2.gz OZLKULHDLQCFPC-LBPRGKRZSA-N 1 0 307.398 1.955 20 5 DDBDRO C[NH+](C)[C@H](CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-])C1CC1 ZINC000091481658 353828031 /nfs/dbraw/zinc/82/80/31/353828031.db2.gz FTXSYKKHBVIHGQ-CQSZACIVSA-N 1 0 317.349 1.583 20 5 DDBDRO CC(C)(C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)n1cc([N+](=O)[O-])cn1 ZINC000108298392 353948988 /nfs/dbraw/zinc/94/89/88/353948988.db2.gz BDQWAIYUVUKWCM-GFCCVEGCSA-N 1 0 321.381 1.127 20 5 DDBDRO CC(C)(C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)n1cc([N+](=O)[O-])cn1 ZINC000102487500 353926060 /nfs/dbraw/zinc/92/60/60/353926060.db2.gz IXKCERWYBJYYAH-LLVKDONJSA-N 1 0 321.381 1.127 20 5 DDBDRO C[N@@H+]1CCC[C@H](CNC(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000108345023 353951405 /nfs/dbraw/zinc/95/14/05/353951405.db2.gz FLPZUFDKBKLSJD-GFCCVEGCSA-N 1 0 306.366 1.465 20 5 DDBDRO CCC[NH+]1CCC(CNc2nccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000357223611 291019779 /nfs/dbraw/zinc/01/97/79/291019779.db2.gz WBBXHYPPYDIMIE-UHFFFAOYSA-N 1 0 321.381 1.623 20 5 DDBDRO O=C(COc1ccccc1[N+](=O)[O-])N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000142253055 354144194 /nfs/dbraw/zinc/14/41/94/354144194.db2.gz TZBVPRAAJYYMKP-ZDUSSCGKSA-N 1 0 319.361 1.670 20 5 DDBDRO C[C@@H]1C[C@@H]([NH3+])CCN1S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000156157094 354217070 /nfs/dbraw/zinc/21/70/70/354217070.db2.gz KTHKCMPIYJYFLC-PWSUYJOCSA-N 1 0 313.379 1.236 20 5 DDBDRO CC[C@@H]1CN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000251571046 354382272 /nfs/dbraw/zinc/38/22/72/354382272.db2.gz BWNXOFHTKQEBPM-GHMZBOCLSA-N 1 0 313.379 1.343 20 5 DDBDRO COCC[N@H+](C)CCNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000316061822 354500152 /nfs/dbraw/zinc/50/01/52/354500152.db2.gz JWJBRXFMOHGPBW-UHFFFAOYSA-N 1 0 305.338 1.528 20 5 DDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000317556686 354512201 /nfs/dbraw/zinc/51/22/01/354512201.db2.gz YZZXIKLLXASWHT-ZDUSSCGKSA-N 1 0 303.362 1.928 20 5 DDBDRO CCc1nn(C)c(Nc2cnn(CC[NH+](C)C)c2)c1[N+](=O)[O-] ZINC000588815970 354938584 /nfs/dbraw/zinc/93/85/84/354938584.db2.gz IXCSSVCLTKMFPP-UHFFFAOYSA-N 1 0 307.358 1.392 20 5 DDBDRO O=C(c1ccc([N+](=O)[O-])cc1F)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000588861872 354944501 /nfs/dbraw/zinc/94/45/01/354944501.db2.gz VTYRTBXSUPIVGC-NEPJUHHUSA-N 1 0 323.324 1.015 20 5 DDBDRO C[NH+](C)C[C@@H](CO)Nc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000589101878 354959547 /nfs/dbraw/zinc/95/95/47/354959547.db2.gz OXDMXSKWGDJHSH-VIFPVBQESA-N 1 0 305.281 1.531 20 5 DDBDRO O=[N+]([O-])c1cc2c(cc1CN1CC[NH+]3CCC1CC3)OCCO2 ZINC000589196861 354971213 /nfs/dbraw/zinc/97/12/13/354971213.db2.gz JKEYKULJZKVLIM-UHFFFAOYSA-N 1 0 319.361 1.646 20 5 DDBDRO CC(C)[N@@H+](C)C[C@H](C)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000589958357 355035295 /nfs/dbraw/zinc/03/52/95/355035295.db2.gz PQPNPDDMFYFZAG-JTQLQIEISA-N 1 0 323.349 1.782 20 5 DDBDRO C[N@@H+]1C[C@H]2CCN(CC(=O)Nc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000590010567 355040349 /nfs/dbraw/zinc/04/03/49/355040349.db2.gz PDPQJENEMDJWFL-BXUZGUMPSA-N 1 0 304.350 1.169 20 5 DDBDRO CCc1ccc(C(=O)N2CC[C@@H]3C[N@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000590044202 355042463 /nfs/dbraw/zinc/04/24/63/355042463.db2.gz IFRXHFZPJYPXOM-UKRRQHHQSA-N 1 0 303.362 1.933 20 5 DDBDRO CCCc1n[nH]c(C(=O)N2CC[C@@H]([NH+](C)C)[C@@H]2C)c1[N+](=O)[O-] ZINC000590403321 355085429 /nfs/dbraw/zinc/08/54/29/355085429.db2.gz KSBNHEGZLQRNQW-GXSJLCMTSA-N 1 0 309.370 1.435 20 5 DDBDRO Cc1ccc(NC(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000591270352 355274493 /nfs/dbraw/zinc/27/44/93/355274493.db2.gz YQTONNWPYROUPH-GWCFXTLKSA-N 1 0 308.338 1.483 20 5 DDBDRO C[N@@H+]1CCCN(CCCNc2ncc([N+](=O)[O-])cc2F)CC1 ZINC000591143046 355254321 /nfs/dbraw/zinc/25/43/21/355254321.db2.gz NUHORQMEKVNSJU-UHFFFAOYSA-N 1 0 311.361 1.568 20 5 DDBDRO O=c1[nH]c(N2CC[C@@H]3CC[NH2+][C@H]3C2)nc2ccc([N+](=O)[O-])cc21 ZINC000591437396 355310250 /nfs/dbraw/zinc/31/02/50/355310250.db2.gz GYCKEXJKHRLMDY-ZANVPECISA-N 1 0 315.333 1.432 20 5 DDBDRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000591446056 355312938 /nfs/dbraw/zinc/31/29/38/355312938.db2.gz PSWDMIMHKXVKBM-OCCSQVGLSA-N 1 0 306.366 1.713 20 5 DDBDRO CC(=O)N[C@@H]1CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000591476883 355320842 /nfs/dbraw/zinc/32/08/42/355320842.db2.gz MSMQDDOOUPBNLU-CYBMUJFWSA-N 1 0 307.350 1.574 20 5 DDBDRO Cc1cc(NC(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)ccc1[N+](=O)[O-] ZINC000591296431 355283143 /nfs/dbraw/zinc/28/31/43/355283143.db2.gz LCGANBNAVWRNKZ-ZWNOBZJWSA-N 1 0 308.338 1.483 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000591299540 355283300 /nfs/dbraw/zinc/28/33/00/355283300.db2.gz RGNXXTACNWLLOT-SNVBAGLBSA-N 1 0 308.338 1.867 20 5 DDBDRO Cc1cc(NC(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)ccc1[N+](=O)[O-] ZINC000591296429 355283522 /nfs/dbraw/zinc/28/35/22/355283522.db2.gz LCGANBNAVWRNKZ-GXFFZTMASA-N 1 0 308.338 1.483 20 5 DDBDRO O=c1c(Br)cn(C[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000592161403 355521953 /nfs/dbraw/zinc/52/19/53/355521953.db2.gz QALLFCFNCZWWFD-SSDOTTSWSA-N 1 0 302.128 1.129 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@H](O)C1CCC1 ZINC000592432739 355582971 /nfs/dbraw/zinc/58/29/71/355582971.db2.gz UQJLDWJYTIWONV-OCCSQVGLSA-N 1 0 310.350 1.085 20 5 DDBDRO CCOc1ccc(C(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000592477149 355593725 /nfs/dbraw/zinc/59/37/25/355593725.db2.gz OUSVATOGLOJNFP-QMTHXVAHSA-N 1 0 323.349 1.182 20 5 DDBDRO CC(C)[C@H]1CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000592485236 355596493 /nfs/dbraw/zinc/59/64/93/355596493.db2.gz SKZXMISPZQTNMO-CQSZACIVSA-N 1 0 320.393 1.853 20 5 DDBDRO COc1cc(C[NH2+]CCCc2ncn(C)n2)c([N+](=O)[O-])cc1O ZINC000592373182 355569391 /nfs/dbraw/zinc/56/93/91/355569391.db2.gz BXEHTQHCNDJFFU-UHFFFAOYSA-N 1 0 321.337 1.160 20 5 DDBDRO C[C@H]([NH3+])[C@H]1CCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000592428838 355580539 /nfs/dbraw/zinc/58/05/39/355580539.db2.gz ZJFIWVQHBZUGDD-QWRGUYRKSA-N 1 0 307.350 1.535 20 5 DDBDRO CC[NH2+][C@@H](C)CNC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000358927934 291071774 /nfs/dbraw/zinc/07/17/74/291071774.db2.gz DGLQFXRVIBEROJ-JTQLQIEISA-N 1 0 323.349 1.023 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@H](C)[C@@H]2CO)c1 ZINC000593024740 355772917 /nfs/dbraw/zinc/77/29/17/355772917.db2.gz LOCXTLDBABTFBF-HZMBPMFUSA-N 1 0 308.334 1.584 20 5 DDBDRO CCN1C[C@@H](C[NH2+]Cc2cc(OC)c(O)cc2[N+](=O)[O-])CC1=O ZINC000593691095 355968373 /nfs/dbraw/zinc/96/83/73/355968373.db2.gz ZNRMCMHMGFFNOH-SNVBAGLBSA-N 1 0 323.349 1.267 20 5 DDBDRO Cc1c(NC(=O)[C@@H](C)N2C[C@H]3CC[C@@H](C2)[NH2+]3)cccc1[N+](=O)[O-] ZINC000601329176 358500160 /nfs/dbraw/zinc/50/01/60/358500160.db2.gz GOTGULJPFQSJRP-UPJWGTAASA-N 1 0 318.377 1.666 20 5 DDBDRO O=C([C@H]1CCC[NH2+]CC1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000593907158 356052288 /nfs/dbraw/zinc/05/22/88/356052288.db2.gz NGIWOUSQISWEPX-LBPRGKRZSA-N 1 0 321.381 1.345 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000593916898 356058897 /nfs/dbraw/zinc/05/88/97/356058897.db2.gz TYCBJMZIOSHWSY-DGCLKSJQSA-N 1 0 323.397 1.466 20 5 DDBDRO Cc1nn(C)c(C(=O)N2CCC[C@@H](C)[C@H]2CC[NH3+])c1[N+](=O)[O-] ZINC000593917346 356060045 /nfs/dbraw/zinc/06/00/45/356060045.db2.gz UQWYRJIHAHGWFY-MWLCHTKSSA-N 1 0 309.370 1.226 20 5 DDBDRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc([N+](=O)[O-])cn1 ZINC000594195393 356136181 /nfs/dbraw/zinc/13/61/81/356136181.db2.gz GKRZYTBDVXILAL-JSGCOSHPSA-N 1 0 304.350 1.737 20 5 DDBDRO COc1ccc(NC(=O)[C@H]2C[C@@]23CCC[NH2+]C3)cc1[N+](=O)[O-] ZINC000594437287 356213442 /nfs/dbraw/zinc/21/34/42/356213442.db2.gz VIGZRIQEFKXAMS-IAQYHMDHSA-N 1 0 305.334 1.932 20 5 DDBDRO [NH3+]C[C@@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000594450694 356221982 /nfs/dbraw/zinc/22/19/82/356221982.db2.gz QDZZLPGFIDZMJQ-SNVBAGLBSA-N 1 0 305.256 1.533 20 5 DDBDRO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NC[C@@H]1CCC[NH2+]C1 ZINC000594626814 356268485 /nfs/dbraw/zinc/26/84/85/356268485.db2.gz SUFIJDUYZSYAEX-GFCCVEGCSA-N 1 0 316.361 1.665 20 5 DDBDRO O=C(CCN1C[C@H]2CC[C@@H](C1)[NH2+]2)Nc1ccc([N+](=O)[O-])cc1 ZINC000601330497 358501408 /nfs/dbraw/zinc/50/14/08/358501408.db2.gz UCCUGALPNNFVJJ-BETUJISGSA-N 1 0 304.350 1.360 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@]1(OCCO)CCOC1 ZINC000595077043 356378981 /nfs/dbraw/zinc/37/89/81/356378981.db2.gz FZXFUDGZLLGZDE-BBRMVZONSA-N 1 0 324.377 1.722 20 5 DDBDRO C[NH2+]C[C@@H](C)NC(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1C ZINC000595231881 356413370 /nfs/dbraw/zinc/41/33/70/356413370.db2.gz FHKWOHXNCYYNRQ-MRVPVSSYSA-N 1 0 324.337 1.419 20 5 DDBDRO CCOC[C@@H]1CC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000081519636 192279783 /nfs/dbraw/zinc/27/97/83/192279783.db2.gz KPDAHCKUEZWXIY-CYBMUJFWSA-N 1 0 321.377 1.916 20 5 DDBDRO CN1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCC1=O ZINC000595771735 356646458 /nfs/dbraw/zinc/64/64/58/356646458.db2.gz FBIKLHRTGFLVPO-UHFFFAOYSA-N 1 0 320.349 1.088 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H]2C[C@@H](O)C23CCC3)c1 ZINC000595776979 356648776 /nfs/dbraw/zinc/64/87/76/356648776.db2.gz DRVOQMMOWITZCJ-BPLDGKMQSA-N 1 0 322.361 1.228 20 5 DDBDRO O=[N+]([O-])c1cccc(F)c1CN1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000595864793 356682862 /nfs/dbraw/zinc/68/28/62/356682862.db2.gz COPPYBRTINYIRR-CYBMUJFWSA-N 1 0 323.368 1.765 20 5 DDBDRO C[C@@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@]1(C)CO ZINC000595868949 356684488 /nfs/dbraw/zinc/68/44/88/356684488.db2.gz CNXFAHGXXPBUCR-MLGOLLRUSA-N 1 0 321.377 1.874 20 5 DDBDRO COc1cc(C(=O)N(C)CC(C)(C)[NH3+])c([N+](=O)[O-])cc1OC ZINC000595934527 356711009 /nfs/dbraw/zinc/71/10/09/356711009.db2.gz NQWCZPSYLXNBOP-UHFFFAOYSA-N 1 0 311.338 1.421 20 5 DDBDRO Cc1n[nH]c(C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)c1[N+](=O)[O-] ZINC000595936099 356712420 /nfs/dbraw/zinc/71/24/20/356712420.db2.gz MYZHFGPXUUJNDV-LBPRGKRZSA-N 1 0 321.381 1.478 20 5 DDBDRO Nc1ccc(N2CCC([C@@H]3CCC[NH2+]C3)CC2)nc1[N+](=O)[O-] ZINC000596014422 356746564 /nfs/dbraw/zinc/74/65/64/356746564.db2.gz POBAFYDAGHAJAJ-GFCCVEGCSA-N 1 0 305.382 1.788 20 5 DDBDRO CCn1nccc1C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000596070920 356762136 /nfs/dbraw/zinc/76/21/36/356762136.db2.gz VEJBZQXTKBQCKQ-AWEZNQCLSA-N 1 0 320.349 1.341 20 5 DDBDRO NC(=O)c1cc(NC[C@@H]2CC[N@@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000596078989 356764891 /nfs/dbraw/zinc/76/48/91/356764891.db2.gz HQGIEBOYCROUBX-JTQLQIEISA-N 1 0 304.350 1.590 20 5 DDBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCOCCF ZINC000596094034 356769709 /nfs/dbraw/zinc/76/97/09/356769709.db2.gz HCFXOEHAAOAPRK-LLVKDONJSA-N 1 0 313.329 1.888 20 5 DDBDRO CC(C)[NH2+][C@@H]1CCCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596099224 356771289 /nfs/dbraw/zinc/77/12/89/356771289.db2.gz PVIDZVQMXNIAQX-LLVKDONJSA-N 1 0 306.366 1.661 20 5 DDBDRO C[NH+](C)C1CCC(Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000596277725 356842563 /nfs/dbraw/zinc/84/25/63/356842563.db2.gz LNKUHIZYSMVCRN-UHFFFAOYSA-N 1 0 306.366 1.978 20 5 DDBDRO CC[C@H](NCc1nc(C[NH3+])cc(=O)[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000596654391 356943068 /nfs/dbraw/zinc/94/30/68/356943068.db2.gz NTJSVVNVTKRTJU-ZDUSSCGKSA-N 1 0 317.349 1.790 20 5 DDBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCC12CC(C1)C[NH2+]2 ZINC000596654957 356943301 /nfs/dbraw/zinc/94/33/01/356943301.db2.gz RXFZGEASVFWBDI-FZWSLVFFSA-N 1 0 318.377 1.654 20 5 DDBDRO C[C@H](C[NH+]1CCC(C)CC1)Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000596490025 356895624 /nfs/dbraw/zinc/89/56/24/356895624.db2.gz ZTAUZOUTNMAMMS-LLVKDONJSA-N 1 0 321.381 1.621 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)NCC23CCC[NH+]2CCC3)n1 ZINC000597589647 357240598 /nfs/dbraw/zinc/24/05/98/357240598.db2.gz WHAPMZFGRGYBMO-UHFFFAOYSA-N 1 0 307.354 1.169 20 5 DDBDRO CN1C[C@H]([NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CCC1=O ZINC000331987378 283246157 /nfs/dbraw/zinc/24/61/57/283246157.db2.gz YWZJAWXTFORIKF-FRRDWIJNSA-N 1 0 321.381 1.485 20 5 DDBDRO CN(CC1C[NH+](C)C1)C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000598160276 357478028 /nfs/dbraw/zinc/47/80/28/357478028.db2.gz KILKOCKKABISRG-LSDHHAIUSA-N 1 0 303.362 1.718 20 5 DDBDRO CCC[N@@H+]1CC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2OC)C1 ZINC000598341606 357544060 /nfs/dbraw/zinc/54/40/60/357544060.db2.gz DLSDZXKLYOUJAZ-NSHDSACASA-N 1 0 307.350 1.818 20 5 DDBDRO Cc1ccc(S(=O)(=O)NC(C)(C)C[NH3+])c(C)c1[N+](=O)[O-] ZINC000598716519 357701685 /nfs/dbraw/zinc/70/16/85/357701685.db2.gz LLUORTVRFKHHNY-UHFFFAOYSA-N 1 0 301.368 1.227 20 5 DDBDRO C[NH+](C)C1CC(NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000598720403 357702923 /nfs/dbraw/zinc/70/29/23/357702923.db2.gz QIKDWHJRNLLGIJ-UHFFFAOYSA-N 1 0 319.361 1.767 20 5 DDBDRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598915475 357757439 /nfs/dbraw/zinc/75/74/39/357757439.db2.gz MMRNBTGGDTUHCN-ZWNOBZJWSA-N 1 0 320.349 1.262 20 5 DDBDRO CCOc1ccc([C@@H](C)[NH2+]CCN2CC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000599085624 357810509 /nfs/dbraw/zinc/81/05/09/357810509.db2.gz UILYBRRFSYGYAP-TZMCWYRMSA-N 1 0 323.393 1.711 20 5 DDBDRO O=[N+]([O-])c1ccc(NCC[N@H+]2CC[C@H](O)C2)c2ccncc21 ZINC000599203571 357850010 /nfs/dbraw/zinc/85/00/10/357850010.db2.gz XHTKEPVHVQVZMA-NSHDSACASA-N 1 0 302.334 1.622 20 5 DDBDRO CCOC(=O)C[C@@H](O)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000599353589 357905810 /nfs/dbraw/zinc/90/58/10/357905810.db2.gz JQVZWORFZLATKR-DGCLKSJQSA-N 1 0 310.350 1.868 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000599780220 358056868 /nfs/dbraw/zinc/05/68/68/358056868.db2.gz UEDOPZDXTLIDAL-GFCCVEGCSA-N 1 0 322.365 1.400 20 5 DDBDRO Cn1cc(C[N@@H+]2CC[C@](C)(O)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000180184281 199127403 /nfs/dbraw/zinc/12/74/03/199127403.db2.gz KGXZNPNSUZEACJ-INIZCTEOSA-N 1 0 316.361 1.952 20 5 DDBDRO C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1CCCO1 ZINC000180452458 199160909 /nfs/dbraw/zinc/16/09/09/199160909.db2.gz SBZVOMFDJUSLEN-JMSVASOKSA-N 1 0 321.377 1.929 20 5 DDBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])cnc1N)C[NH+]1CCCCC1 ZINC000180540953 199173145 /nfs/dbraw/zinc/17/31/45/199173145.db2.gz QLJQKZNSHZQSBY-LLVKDONJSA-N 1 0 321.381 1.424 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@H]2CO[C@H](C3CC3)C2)c1 ZINC000600756098 358309026 /nfs/dbraw/zinc/30/90/26/358309026.db2.gz MFDHSBNFFFKHTD-XPKDYRNWSA-N 1 0 322.361 1.492 20 5 DDBDRO CN1CC[N@H+](C)C[C@H]1CNc1ccnc2ccc([N+](=O)[O-])cc21 ZINC000601116399 358409027 /nfs/dbraw/zinc/40/90/27/358409027.db2.gz SXOJPSDBCXLYHD-CYBMUJFWSA-N 1 0 315.377 1.223 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@@](O)(C[NH+](C)C)C2)n1 ZINC000601189327 358439859 /nfs/dbraw/zinc/43/98/59/358439859.db2.gz PUOAXBSQYNCEOM-OAHLLOKOSA-N 1 0 308.382 1.500 20 5 DDBDRO C[N@@H+]1CCCC[C@H]1C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000602132212 358835375 /nfs/dbraw/zinc/83/53/75/358835375.db2.gz INXLGZVQSSRZAN-AWEZNQCLSA-N 1 0 304.350 1.359 20 5 DDBDRO CC(C)[C@@H]1C[NH2+]CCN1C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000602532574 359031082 /nfs/dbraw/zinc/03/10/82/359031082.db2.gz YNMNHKYPHPWVJN-HNNXBMFYSA-N 1 0 320.393 1.487 20 5 DDBDRO CC(C)(CCS(C)(=O)=O)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602559950 359045903 /nfs/dbraw/zinc/04/59/03/359045903.db2.gz KUEPIVPYKHQOIS-UHFFFAOYSA-N 1 0 314.407 1.940 20 5 DDBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]CCOCCO ZINC000602499575 359015745 /nfs/dbraw/zinc/01/57/45/359015745.db2.gz QETNJLIMSDZVOD-UHFFFAOYSA-N 1 0 308.256 1.712 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CCN1C[C@@H](C)O[C@](C)(C(F)F)C1 ZINC000602903943 359284663 /nfs/dbraw/zinc/28/46/63/359284663.db2.gz TXDYOPWNQBLLJV-RNCFNFMXSA-N 1 0 318.324 1.844 20 5 DDBDRO C[N@@H+]1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)C[C@@H]1C(C)(C)C ZINC000603143330 359432372 /nfs/dbraw/zinc/43/23/72/359432372.db2.gz SRVVMEKKUOGDGS-CYBMUJFWSA-N 1 0 323.397 1.370 20 5 DDBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@H]1C[NH2+]CCO1 ZINC000187283982 200088537 /nfs/dbraw/zinc/08/85/37/200088537.db2.gz PHQZNKZOXQOVKA-GFCCVEGCSA-N 1 0 313.741 1.195 20 5 DDBDRO CCNC(=O)C[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000604477380 359755050 /nfs/dbraw/zinc/75/50/50/359755050.db2.gz JPSAXNKYJHWSRN-JTQLQIEISA-N 1 0 308.338 1.038 20 5 DDBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@]1(CCO)CCOC1 ZINC000579375917 422759609 /nfs/dbraw/zinc/75/96/09/422759609.db2.gz BDIXKEUFSNVROA-HOCLYGCPSA-N 1 0 306.362 1.961 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000604290910 359731816 /nfs/dbraw/zinc/73/18/16/359731816.db2.gz LXZWBRUKWNTYKG-GFCCVEGCSA-N 1 0 322.365 1.497 20 5 DDBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000188295827 200223852 /nfs/dbraw/zinc/22/38/52/200223852.db2.gz PILPQKNBAAEKJD-GFCCVEGCSA-N 1 0 324.381 1.264 20 5 DDBDRO [NH3+][C@@H]1CCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000237930838 202394765 /nfs/dbraw/zinc/39/47/65/202394765.db2.gz OMILYLOSPDMBKT-SNVBAGLBSA-N 1 0 318.358 1.892 20 5 DDBDRO COc1ccc(CC(=O)N[C@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000609044641 360258190 /nfs/dbraw/zinc/25/81/90/360258190.db2.gz NVQMWTQYHZDBMK-LBPRGKRZSA-N 1 0 307.350 1.356 20 5 DDBDRO O=C(Cc1ccccc1[N+](=O)[O-])N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000609383566 360302841 /nfs/dbraw/zinc/30/28/41/360302841.db2.gz UJGJRMPVXYSVHE-CQSZACIVSA-N 1 0 303.362 1.738 20 5 DDBDRO O=C(Cc1ccccc1[N+](=O)[O-])N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000609383565 360302932 /nfs/dbraw/zinc/30/29/32/360302932.db2.gz UJGJRMPVXYSVHE-AWEZNQCLSA-N 1 0 303.362 1.738 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCCn1cncn1 ZINC000609140480 360265862 /nfs/dbraw/zinc/26/58/62/360265862.db2.gz IDPPZXNHMLAMQX-UHFFFAOYSA-N 1 0 305.338 1.765 20 5 DDBDRO NC(=O)Cc1ccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000609222499 360273974 /nfs/dbraw/zinc/27/39/74/360273974.db2.gz PYXVCJFFNNEVTG-UHFFFAOYSA-N 1 0 313.357 1.955 20 5 DDBDRO CC[NH+]1CCN([C@@H]2CCN(c3ccc([N+](=O)[O-])s3)C2)CC1 ZINC000609288370 360288382 /nfs/dbraw/zinc/28/83/82/360288382.db2.gz ODOKBPRMNUJARU-GFCCVEGCSA-N 1 0 310.423 1.873 20 5 DDBDRO O=[N+]([O-])c1ccc(OCC[NH2+]C[C@H]2CNc3ccnn3C2)cc1 ZINC000609466583 360310147 /nfs/dbraw/zinc/31/01/47/360310147.db2.gz ONWHHMQGMQERHJ-LBPRGKRZSA-N 1 0 317.349 1.502 20 5 DDBDRO CC[C@@H](O)C[NH+]1CCN(c2cc(OC)ccc2[N+](=O)[O-])CC1 ZINC000610278654 360406657 /nfs/dbraw/zinc/40/66/57/360406657.db2.gz ZIQYPKNFEAWEFX-GFCCVEGCSA-N 1 0 309.366 1.496 20 5 DDBDRO O=[N+]([O-])c1cccc(CC[NH2+]C[C@H]2CNc3ccnn3C2)c1 ZINC000611146486 360636950 /nfs/dbraw/zinc/63/69/50/360636950.db2.gz JRKHGXARESDYNS-ZDUSSCGKSA-N 1 0 301.350 1.665 20 5 DDBDRO COC[C@H]1CCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000612086273 360913525 /nfs/dbraw/zinc/91/35/25/360913525.db2.gz LVWZMVSICSKQBS-OLZOCXBDSA-N 1 0 310.350 1.445 20 5 DDBDRO CC(C)[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000565887610 304101026 /nfs/dbraw/zinc/10/10/26/304101026.db2.gz XIUHBCHRUULSTM-VNHYZAJKSA-N 1 0 310.398 1.957 20 5 DDBDRO COC(=O)[C@@H]1CCCCCC[C@H]1[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000360486063 306983252 /nfs/dbraw/zinc/98/32/52/306983252.db2.gz VNAHHKCNJWEYHE-VXGBXAGGSA-N 1 0 324.381 1.930 20 5 DDBDRO C[NH+](C)C[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000193951403 201151406 /nfs/dbraw/zinc/15/14/06/201151406.db2.gz TYTIXFSALBFRJU-NSHDSACASA-N 1 0 308.338 1.887 20 5 DDBDRO Cc1cnc(N[C@H](C)CCN2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000613704766 361526773 /nfs/dbraw/zinc/52/67/73/361526773.db2.gz QVCFDZNISCOOPR-CYBMUJFWSA-N 1 0 307.398 1.736 20 5 DDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CCN(c2cc[nH+]cc2)CC1 ZINC000619474497 364028037 /nfs/dbraw/zinc/02/80/37/364028037.db2.gz VEIWJBVXSIICPN-UHFFFAOYSA-N 1 0 316.365 1.841 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000619873754 364170305 /nfs/dbraw/zinc/17/03/05/364170305.db2.gz UTESVQZCBCCKQB-AWEZNQCLSA-N 1 0 318.377 1.023 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000619874131 364170436 /nfs/dbraw/zinc/17/04/36/364170436.db2.gz ZJEBTIXRMGTBLS-CQSZACIVSA-N 1 0 318.377 1.023 20 5 DDBDRO COC(=O)c1cc(C(=O)NCC2CC[NH2+]CC2)cc([N+](=O)[O-])c1 ZINC000566202627 304128070 /nfs/dbraw/zinc/12/80/70/304128070.db2.gz SRINTQHDCYEBJC-UHFFFAOYSA-N 1 0 321.333 1.111 20 5 DDBDRO Nc1c(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)cccc1[N+](=O)[O-] ZINC000261786402 203116855 /nfs/dbraw/zinc/11/68/55/203116855.db2.gz LPBQJBBAMMFLNA-PHIMTYICSA-N 1 0 304.350 1.249 20 5 DDBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C[C@@H]1COCC[NH2+]1 ZINC000262013126 203174235 /nfs/dbraw/zinc/17/42/35/203174235.db2.gz CDRXSKLGYXBABK-CQSZACIVSA-N 1 0 321.377 1.710 20 5 DDBDRO CNC(=O)c1ccc(N[C@H]2CC[N@H+](CCOC)C2)c([N+](=O)[O-])c1 ZINC000264585586 204011468 /nfs/dbraw/zinc/01/14/68/204011468.db2.gz KKXILBXPLZEJBS-LBPRGKRZSA-N 1 0 322.365 1.087 20 5 DDBDRO CCOC(=O)[C@](C)(O)C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282509849 217049706 /nfs/dbraw/zinc/04/97/06/217049706.db2.gz RTWNBKWZTNGVGN-OAHLLOKOSA-N 1 0 310.350 1.383 20 5 DDBDRO Cc1cnc(NCCC[N@@H+]2CCC[C@@H]2C(N)=O)c([N+](=O)[O-])c1 ZINC000266226055 205198644 /nfs/dbraw/zinc/19/86/44/205198644.db2.gz RUKOCVKSIIUUQS-LLVKDONJSA-N 1 0 307.354 1.050 20 5 DDBDRO COCCn1cc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)cn1 ZINC000266223330 205193882 /nfs/dbraw/zinc/19/38/82/205193882.db2.gz RVTZYKIYXRIZGU-UHFFFAOYSA-N 1 0 304.350 1.770 20 5 DDBDRO Cc1cc(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c(N)c([N+](=O)[O-])c1 ZINC000267365955 206014469 /nfs/dbraw/zinc/01/44/69/206014469.db2.gz XHZBLBNREQWVGU-OLZOCXBDSA-N 1 0 318.377 1.842 20 5 DDBDRO CNc1nc(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000567130812 304199628 /nfs/dbraw/zinc/19/96/28/304199628.db2.gz SSMBRNSQZMWMDX-NSHDSACASA-N 1 0 319.365 1.342 20 5 DDBDRO Cc1nn(CCC(=O)NC[C@H](C2CC2)[NH+](C)C)c(C)c1[N+](=O)[O-] ZINC000102489560 248242548 /nfs/dbraw/zinc/24/25/48/248242548.db2.gz MCBASTTUZJBOLJ-CYBMUJFWSA-N 1 0 323.397 1.255 20 5 DDBDRO C[C@@H]([NH2+]CCC(=O)N1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000336860312 249267660 /nfs/dbraw/zinc/26/76/60/249267660.db2.gz PVDWRCKVHJQQFQ-GFCCVEGCSA-N 1 0 307.350 1.494 20 5 DDBDRO COC(=O)c1cn(CC[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)nn1 ZINC000284591610 218092527 /nfs/dbraw/zinc/09/25/27/218092527.db2.gz XZUADRCRZTZAAU-SNVBAGLBSA-N 1 0 319.321 1.324 20 5 DDBDRO C[NH+](C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)c1cccs1 ZINC000285111839 218295297 /nfs/dbraw/zinc/29/52/97/218295297.db2.gz UVJLVJJEJYJOIU-VIFPVBQESA-N 1 0 309.351 1.412 20 5 DDBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CC(=O)N(C)C1 ZINC000268884486 207055571 /nfs/dbraw/zinc/05/55/71/207055571.db2.gz WUAPHLDNJQFLGR-ZYHUDNBSSA-N 1 0 320.349 1.132 20 5 DDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCC[N@@H+](C2CC2)CC1 ZINC000061605803 184177523 /nfs/dbraw/zinc/17/75/23/184177523.db2.gz KNKPZECMZYUZNO-UHFFFAOYSA-N 1 0 303.362 1.834 20 5 DDBDRO C[C@@H]1C[C@@H](NC(=O)NCCc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000341025444 251345033 /nfs/dbraw/zinc/34/50/33/251345033.db2.gz JCNSXHOKDYJJTC-OCCSQVGLSA-N 1 0 320.393 1.919 20 5 DDBDRO CCn1c(C)nc([N+](=O)[O-])c1NCCC[N@H+](C)CCN(C)C ZINC000341047284 251353748 /nfs/dbraw/zinc/35/37/48/251353748.db2.gz LRGVCDTZUXMGHR-UHFFFAOYSA-N 1 0 312.418 1.415 20 5 DDBDRO CCC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)CC(=O)N(C)C ZINC000065535897 184362240 /nfs/dbraw/zinc/36/22/40/184362240.db2.gz RWOULXGPTKUMNR-UHFFFAOYSA-N 1 0 309.366 1.774 20 5 DDBDRO Cc1c(C(=O)N2CC[C@H]([NH3+])[C@H](C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000269205953 207322911 /nfs/dbraw/zinc/32/29/11/207322911.db2.gz LXKKYYONYDADEC-PELKAZGASA-N 1 0 322.321 1.621 20 5 DDBDRO COc1cc(OCC(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000269195647 207315878 /nfs/dbraw/zinc/31/58/78/207315878.db2.gz ITWVPAPCDDAOOZ-JQWIXIFHSA-N 1 0 323.349 1.178 20 5 DDBDRO O=C(C[NH2+]C[C@H]1CCCO1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000269208277 207326365 /nfs/dbraw/zinc/32/63/65/207326365.db2.gz FJSVUTJLYAKQSL-LLVKDONJSA-N 1 0 305.334 1.253 20 5 DDBDRO CC(C)[C@@H]([NH3+])CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000269255036 207396598 /nfs/dbraw/zinc/39/65/98/207396598.db2.gz HJSDDXDKVMDSEX-LBPRGKRZSA-N 1 0 317.349 1.494 20 5 DDBDRO C[NH2+][C@H]1CCCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000417224339 533018203 /nfs/dbraw/zinc/01/82/03/533018203.db2.gz HZPDVFMBCNKGQO-ZDUSSCGKSA-N 1 0 306.366 1.531 20 5 DDBDRO COCCOCC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447526477 285097878 /nfs/dbraw/zinc/09/78/78/285097878.db2.gz BUDRHNHFOKIGSP-CHWSQXEVSA-N 1 0 312.370 1.528 20 5 DDBDRO C[NH2+]C[C@H]1CCCN(C(=O)c2cc(C)cc([N+](=O)[O-])c2N)C1 ZINC000159007632 197319308 /nfs/dbraw/zinc/31/93/08/197319308.db2.gz KQXVDNOCNVMNAJ-LLVKDONJSA-N 1 0 306.366 1.557 20 5 DDBDRO [NH3+]C[C@H]1CC[C@@H](C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)O1 ZINC000567980935 304258315 /nfs/dbraw/zinc/25/83/15/304258315.db2.gz UBXSYMZXQGNBLX-CABCVRRESA-N 1 0 319.361 1.592 20 5 DDBDRO [NH3+]C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CC1 ZINC000157600372 197200703 /nfs/dbraw/zinc/20/07/03/197200703.db2.gz XIZRMFOAFWVEKJ-UHFFFAOYSA-N 1 0 318.377 1.758 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C)[C@@H](C)CO ZINC000295773164 533138467 /nfs/dbraw/zinc/13/84/67/533138467.db2.gz QBCNEYHXHJEQTH-UWVGGRQHSA-N 1 0 311.338 1.148 20 5 DDBDRO CNC(=O)CCC[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000155218417 197034126 /nfs/dbraw/zinc/03/41/26/197034126.db2.gz UHNLNSONFNGTCL-UHFFFAOYSA-N 1 0 322.365 1.300 20 5 DDBDRO CCS(=O)(=O)CCC[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000414341839 224324101 /nfs/dbraw/zinc/32/41/01/224324101.db2.gz ORBMRDRVRHESMX-LBPRGKRZSA-N 1 0 314.407 1.940 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000414655713 224368243 /nfs/dbraw/zinc/36/82/43/224368243.db2.gz LPIVDMMYQUJOQD-MNOVXSKESA-N 1 0 320.349 1.677 20 5 DDBDRO COC[C@]1(CNC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CCC[NH2+]1 ZINC000414655823 224368847 /nfs/dbraw/zinc/36/88/47/224368847.db2.gz HNJJFLNTPDKULL-OAHLLOKOSA-N 1 0 322.365 1.793 20 5 DDBDRO C[N@@H+]1CCCC[C@@H](C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001120507882 781992544 /nfs/dbraw/zinc/99/25/44/781992544.db2.gz MCCBQCXNOWAOSR-XJKSGUPXSA-N 1 0 307.394 1.950 20 5 DDBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000425227215 533592285 /nfs/dbraw/zinc/59/22/85/533592285.db2.gz AQLCUFRETNJXII-SNVBAGLBSA-N 1 0 322.365 1.498 20 5 DDBDRO Cc1ccc(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c(C)c1 ZINC000568468685 304294159 /nfs/dbraw/zinc/29/41/59/304294159.db2.gz PZANMHDSSFEPEX-OAHLLOKOSA-N 1 0 304.350 1.559 20 5 DDBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000568512663 304297041 /nfs/dbraw/zinc/29/70/41/304297041.db2.gz BVZGEKIYWNXMNC-MNOVXSKESA-N 1 0 317.349 1.636 20 5 DDBDRO CS[C@@H](C)C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000569450214 304354478 /nfs/dbraw/zinc/35/44/78/304354478.db2.gz WWKUFQOYDJJXCM-QWRGUYRKSA-N 1 0 300.380 1.676 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCC(OCC2CC2)CC1 ZINC000360722668 299730181 /nfs/dbraw/zinc/73/01/81/299730181.db2.gz UIWMSSLMLJEJHW-UHFFFAOYSA-N 1 0 321.377 1.648 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000068244005 406626857 /nfs/dbraw/zinc/62/68/57/406626857.db2.gz FRJHVZMJPPAMNM-UHFFFAOYSA-N 1 0 323.397 1.480 20 5 DDBDRO CC[C@@H](CO)[NH+]1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000075958214 406947051 /nfs/dbraw/zinc/94/70/51/406947051.db2.gz GPJYUSSPSWXQQN-AWEZNQCLSA-N 1 0 323.393 1.362 20 5 DDBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@]1(O)CCOC1 ZINC000090849824 407172265 /nfs/dbraw/zinc/17/22/65/407172265.db2.gz FTGDFPJYKWDXJL-XHDPSFHLSA-N 1 0 323.349 1.053 20 5 DDBDRO COC[C@H](O)CC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000090950141 407173851 /nfs/dbraw/zinc/17/38/51/407173851.db2.gz QQZRVVVBSYRWGY-HUUCEWRRSA-N 1 0 308.378 1.903 20 5 DDBDRO C[NH+](C)[C@H](CNc1ncc([N+](=O)[O-])cc1C(N)=O)c1ccco1 ZINC000097251463 407289683 /nfs/dbraw/zinc/28/96/83/407289683.db2.gz QIXWILLTNLQHOK-LLVKDONJSA-N 1 0 319.321 1.397 20 5 DDBDRO Cc1ccc([C@@H](CNC(=O)c2[nH]ncc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000122351563 407298261 /nfs/dbraw/zinc/29/82/61/407298261.db2.gz CPHJQSSNVJPHGF-GFCCVEGCSA-N 1 0 317.349 1.659 20 5 DDBDRO C[NH+](C)[C@H]1CCCN(C(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000103945149 407344576 /nfs/dbraw/zinc/34/45/76/407344576.db2.gz WTAUDDRPJIKSRN-LBPRGKRZSA-N 1 0 306.366 1.559 20 5 DDBDRO C[NH+](C)[C@@H](CNC(=O)CNc1ccccc1[N+](=O)[O-])C1CC1 ZINC000105596427 407354257 /nfs/dbraw/zinc/35/42/57/407354257.db2.gz JIWZQIMZUNFLTR-AWEZNQCLSA-N 1 0 306.366 1.463 20 5 DDBDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000106820779 407361728 /nfs/dbraw/zinc/36/17/28/407361728.db2.gz PBXAVRCJKAMGAO-LLVKDONJSA-N 1 0 324.356 1.100 20 5 DDBDRO [NH3+]C[C@H]1CCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000178538955 407488685 /nfs/dbraw/zinc/48/86/85/407488685.db2.gz SFVOHLVTOUHJMN-GFCCVEGCSA-N 1 0 318.377 1.616 20 5 DDBDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000178558640 407490762 /nfs/dbraw/zinc/49/07/62/407490762.db2.gz PIEJMUAPMZUYCT-ZDUSSCGKSA-N 1 0 323.397 1.276 20 5 DDBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000178735962 407573177 /nfs/dbraw/zinc/57/31/77/407573177.db2.gz NBXKOORMEVVHJU-QWRGUYRKSA-N 1 0 309.391 1.944 20 5 DDBDRO COC(=O)[C@@H](C)CN(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000114062594 407536564 /nfs/dbraw/zinc/53/65/64/407536564.db2.gz BXOCKCRSWAEZJM-NSHDSACASA-N 1 0 323.349 1.583 20 5 DDBDRO CN(CC(=O)NC[C@@H]1CC[N@H+](C)C1)c1ccccc1[N+](=O)[O-] ZINC000266258655 407537842 /nfs/dbraw/zinc/53/78/42/407537842.db2.gz KGHRHIRJXKALHF-LBPRGKRZSA-N 1 0 306.366 1.099 20 5 DDBDRO C[C@@H]([NH3+])C1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000178812986 407611877 /nfs/dbraw/zinc/61/18/77/407611877.db2.gz CRKFSHRIHAQEAG-SECBINFHSA-N 1 0 317.349 1.671 20 5 DDBDRO CN(CC[NH+]1CCCC1)C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000152353127 407619311 /nfs/dbraw/zinc/61/93/11/407619311.db2.gz BZIMSWRUIQKRQS-UHFFFAOYSA-N 1 0 309.341 1.831 20 5 DDBDRO Cn1ccnc1[C@H]1C[NH2+]CCN1Cc1cccc([N+](=O)[O-])c1 ZINC000261800511 407620076 /nfs/dbraw/zinc/62/00/76/407620076.db2.gz RKHJGQJDPRHJDD-CQSZACIVSA-N 1 0 301.350 1.475 20 5 DDBDRO C[C@@H]([NH3+])C1CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000178841111 407621555 /nfs/dbraw/zinc/62/15/55/407621555.db2.gz NWMGPNGMAYDRPC-GFCCVEGCSA-N 1 0 321.377 1.950 20 5 DDBDRO C[C@@H](C(=O)NCCn1cc([N+](=O)[O-])cn1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000129964889 407640962 /nfs/dbraw/zinc/64/09/62/407640962.db2.gz RUTCSOCQJFSGIP-TUAOUCFPSA-N 1 0 309.370 1.169 20 5 DDBDRO CC(C)[C@](C)(C[NH3+])NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000236641570 407738781 /nfs/dbraw/zinc/73/87/81/407738781.db2.gz SKJWGJINITWFRB-AWEZNQCLSA-N 1 0 313.329 1.602 20 5 DDBDRO CC(C)(C(=O)NCC[C@H]1CCC[NH2+]C1)n1cc([N+](=O)[O-])cn1 ZINC000236709349 407759382 /nfs/dbraw/zinc/75/93/82/407759382.db2.gz ZOEFDJRBDCDCGD-LLVKDONJSA-N 1 0 309.370 1.032 20 5 DDBDRO CN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC[N@H+](C)C1CC1 ZINC000186747999 407761448 /nfs/dbraw/zinc/76/14/48/407761448.db2.gz VAECUPMJPLVFMW-UHFFFAOYSA-N 1 0 320.393 1.949 20 5 DDBDRO C[C@H](O)C[C@@H]1CCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000153191644 407773712 /nfs/dbraw/zinc/77/37/12/407773712.db2.gz WWPGNGLGERCYGL-GWCFXTLKSA-N 1 0 307.350 1.429 20 5 DDBDRO COCCC[N@H+](C)CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000117336723 407832116 /nfs/dbraw/zinc/83/21/16/407832116.db2.gz SMAQPARUPWCBRV-UHFFFAOYSA-N 1 0 323.349 1.861 20 5 DDBDRO COC[C@@]1(CNC(=O)c2ccc([N+](=O)[O-])cc2C)CCC[NH2+]1 ZINC000262428452 407834938 /nfs/dbraw/zinc/83/49/38/407834938.db2.gz FQLZFSAJKAEINQ-HNNXBMFYSA-N 1 0 307.350 1.402 20 5 DDBDRO C[C@@H]1CCN(CCOc2ccc([N+](=O)[O-])cc2)[C@H](C(N)=O)C1 ZINC000187418260 407854398 /nfs/dbraw/zinc/85/43/98/407854398.db2.gz NFEFQCMPAUSPEK-RISCZKNCSA-N 1 0 307.350 1.559 20 5 DDBDRO CC[NH+]1CCN(CCNc2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000153572528 407855782 /nfs/dbraw/zinc/85/57/82/407855782.db2.gz UNGRXALCANXDKH-UHFFFAOYSA-N 1 0 313.789 1.693 20 5 DDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000272379932 407893403 /nfs/dbraw/zinc/89/34/03/407893403.db2.gz FKYVGTUJMNGDII-LBPRGKRZSA-N 1 0 318.377 1.877 20 5 DDBDRO C[C@H](CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)C1CC1 ZINC000118129262 407898481 /nfs/dbraw/zinc/89/84/81/407898481.db2.gz HVSPGFSHJGWPNY-SNVBAGLBSA-N 1 0 320.349 1.132 20 5 DDBDRO C[NH+](C)C[C@H]1CCCN1C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000272506888 407952006 /nfs/dbraw/zinc/95/20/06/407952006.db2.gz XUULDRFWZFYZBL-LLVKDONJSA-N 1 0 321.333 1.490 20 5 DDBDRO C[NH+](C)C[C@@H]1CCCN1C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000272506894 407952716 /nfs/dbraw/zinc/95/27/16/407952716.db2.gz XUULDRFWZFYZBL-NSHDSACASA-N 1 0 321.333 1.490 20 5 DDBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000268248145 407967672 /nfs/dbraw/zinc/96/76/72/407967672.db2.gz WKVDDGCYFPWOSJ-NHYWBVRUSA-N 1 0 303.362 1.736 20 5 DDBDRO CO[C@H](C[NH3+])CC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000262947325 407980665 /nfs/dbraw/zinc/98/06/65/407980665.db2.gz VEMBTPGTTJHISI-AWEZNQCLSA-N 1 0 309.366 1.398 20 5 DDBDRO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000262782430 407928410 /nfs/dbraw/zinc/92/84/10/407928410.db2.gz LSMIWGQSSIFKNY-QWHCGFSZSA-N 1 0 320.393 1.996 20 5 DDBDRO Cc1nn(CCC(=O)N2C[C@H](C)[NH2+]C[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000272604629 408004249 /nfs/dbraw/zinc/00/42/49/408004249.db2.gz RJKNJPLYXNFJSL-VHSXEESVSA-N 1 0 309.370 1.007 20 5 DDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N(C)C[C@H](C)O ZINC000245778836 408068849 /nfs/dbraw/zinc/06/88/49/408068849.db2.gz LWQMDCPVJAABLM-DTWKUNHWSA-N 1 0 315.757 1.888 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000246212073 408179014 /nfs/dbraw/zinc/17/90/14/408179014.db2.gz ANFSWBMDTWCALO-AWEZNQCLSA-N 1 0 318.377 1.622 20 5 DDBDRO CCc1n[nH]c(C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000175729261 408189548 /nfs/dbraw/zinc/18/95/48/408189548.db2.gz BYCCSKXKZZMPGR-RKDXNWHRSA-N 1 0 307.354 1.235 20 5 DDBDRO C[NH+](C)C1(CNc2ncc([N+](=O)[O-])cn2)Cc2ccccc2C1 ZINC000273565876 408248241 /nfs/dbraw/zinc/24/82/41/408248241.db2.gz CMKGYBKUTJDEMS-UHFFFAOYSA-N 1 0 313.361 1.896 20 5 DDBDRO C[C@@H](C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[C@H](C)[NH3+] ZINC000182846166 408263795 /nfs/dbraw/zinc/26/37/95/408263795.db2.gz FBKIEEZEYRZMSW-NEPJUHHUSA-N 1 0 306.366 1.227 20 5 DDBDRO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000246726291 408326099 /nfs/dbraw/zinc/32/60/99/408326099.db2.gz AHUMEXGWCLDOTE-JOYOIKCWSA-N 1 0 324.356 1.775 20 5 DDBDRO CN(C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)[C@H]1CCC[N@H+](C)C1 ZINC000151202781 408275400 /nfs/dbraw/zinc/27/54/00/408275400.db2.gz BKBXLAJITTYLKI-NSHDSACASA-N 1 0 309.370 1.079 20 5 DDBDRO CCC[N@H+](CC)CCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000176209545 408310690 /nfs/dbraw/zinc/31/06/90/408310690.db2.gz RINGJAIJPRSLLE-UHFFFAOYSA-N 1 0 322.365 1.381 20 5 DDBDRO Cc1noc([C@H]2CCC[N@H+](CCn3ccc([N+](=O)[O-])n3)C2)n1 ZINC000176214825 408312902 /nfs/dbraw/zinc/31/29/02/408312902.db2.gz PLNZNMSQJIPMRR-NSHDSACASA-N 1 0 306.326 1.362 20 5 DDBDRO C[C@H](O)[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000183195825 408350470 /nfs/dbraw/zinc/35/04/70/408350470.db2.gz CMCIEMWMFLZBEV-SRVKXCTJSA-N 1 0 307.350 1.625 20 5 DDBDRO CC(C)[C@H]([NH3+])CNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000138077701 162128795 /nfs/dbraw/zinc/12/87/95/162128795.db2.gz BNLSOXAURBLRLV-SECBINFHSA-N 1 0 301.368 1.394 20 5 DDBDRO CNC(=O)c1ccc(N(C)CC2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000264088566 408362318 /nfs/dbraw/zinc/36/23/18/408362318.db2.gz AWWBDNBBFOFJKG-UHFFFAOYSA-N 1 0 320.393 1.732 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)[C@H](C[NH3+])C1CC1 ZINC000159968767 408450469 /nfs/dbraw/zinc/45/04/69/408450469.db2.gz GRRFSUQENXXXJZ-GFCCVEGCSA-N 1 0 313.379 1.261 20 5 DDBDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000176714168 408422266 /nfs/dbraw/zinc/42/22/66/408422266.db2.gz RSEYAPWAGBUPLH-LLVKDONJSA-N 1 0 306.366 1.591 20 5 DDBDRO C[C@@H]1C[C@H](NC(=O)CNc2ccccc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000177033659 408503793 /nfs/dbraw/zinc/50/37/93/408503793.db2.gz SMCLSNVZAAOGAC-NEPJUHHUSA-N 1 0 318.377 1.748 20 5 DDBDRO C[NH2+]C[C@@H]1CCCN1C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000161241048 408576778 /nfs/dbraw/zinc/57/67/78/408576778.db2.gz SZBVBDFHGYQFHJ-IYNGYCSASA-N 1 0 307.325 1.958 20 5 DDBDRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000160873870 408535523 /nfs/dbraw/zinc/53/55/23/408535523.db2.gz AOMQAEYXTOARRG-DTWKUNHWSA-N 1 0 303.322 1.471 20 5 DDBDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000265298766 408607083 /nfs/dbraw/zinc/60/70/83/408607083.db2.gz LZKGKRBLSFNDAR-CQSZACIVSA-N 1 0 305.378 1.938 20 5 DDBDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000265298765 408607268 /nfs/dbraw/zinc/60/72/68/408607268.db2.gz LZKGKRBLSFNDAR-AWEZNQCLSA-N 1 0 305.378 1.938 20 5 DDBDRO C[C@H](CN1CC[NH+](C)CC1)Nc1ncc([N+](=O)[O-])cc1Cl ZINC000265483974 408668885 /nfs/dbraw/zinc/66/88/85/408668885.db2.gz DUJMAUFVWZUTQI-SNVBAGLBSA-N 1 0 313.789 1.691 20 5 DDBDRO CC[NH+]1CCN([C@H]2CCN(c3cc(N)ccc3[N+](=O)[O-])C2)CC1 ZINC000193419694 408718299 /nfs/dbraw/zinc/71/82/99/408718299.db2.gz SLZHPZZPHFLCFV-AWEZNQCLSA-N 1 0 319.409 1.393 20 5 DDBDRO Cc1cc(C(=O)NCC2([NH+](C)C)CCC2)c(N)c([N+](=O)[O-])c1 ZINC000275806201 408681619 /nfs/dbraw/zinc/68/16/19/408681619.db2.gz CYSCIOAPWRNKNZ-UHFFFAOYSA-N 1 0 306.366 1.700 20 5 DDBDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000183594314 162857732 /nfs/dbraw/zinc/85/77/32/162857732.db2.gz SDPCLACHKJQGIO-LLVKDONJSA-N 1 0 323.353 1.222 20 5 DDBDRO C[C@@H](CNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)[NH+](C)C ZINC000276020187 408752307 /nfs/dbraw/zinc/75/23/07/408752307.db2.gz BHFCOWVRMLPMNR-VIFPVBQESA-N 1 0 301.368 1.360 20 5 DDBDRO [NH3+][C@H]1CC[C@H]2CN(C(=O)CNc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000185148745 408770460 /nfs/dbraw/zinc/77/04/60/408770460.db2.gz QPEQOQVFNOSDTI-TUAOUCFPSA-N 1 0 304.350 1.202 20 5 DDBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000290837446 408841066 /nfs/dbraw/zinc/84/10/66/408841066.db2.gz GZPVQDDCRMFICP-JTQLQIEISA-N 1 0 311.386 1.487 20 5 DDBDRO Cc1c(C(=O)N2CCO[C@@H]3CC[N@@H+](C)C[C@@H]32)cccc1[N+](=O)[O-] ZINC000285953373 408895892 /nfs/dbraw/zinc/89/58/92/408895892.db2.gz WHZJGQCERZADPG-LSDHHAIUSA-N 1 0 319.361 1.448 20 5 DDBDRO CCCc1n[nH]c(C(=O)N2CCC[C@H](CC[NH3+])C2)c1[N+](=O)[O-] ZINC000281618135 408897868 /nfs/dbraw/zinc/89/78/68/408897868.db2.gz BWVQROOECJHRRG-SNVBAGLBSA-N 1 0 309.370 1.471 20 5 DDBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000286095780 408922924 /nfs/dbraw/zinc/92/29/24/408922924.db2.gz NJHBXOXQICRBMS-VYUIOLGVSA-N 1 0 317.349 1.587 20 5 DDBDRO C[C@@H]1C[C@@H](N2CCOCC2)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000286223740 408944766 /nfs/dbraw/zinc/94/47/66/408944766.db2.gz YVIGNNKPZVQCDH-CZUORRHYSA-N 1 0 305.378 1.890 20 5 DDBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1c1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000286307714 408960150 /nfs/dbraw/zinc/96/01/50/408960150.db2.gz JYJKLUOAKVASTO-WCQYABFASA-N 1 0 318.377 1.757 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H](C)C[NH+]2CCCC2)n1 ZINC000286327806 408964547 /nfs/dbraw/zinc/96/45/47/408964547.db2.gz JNBNCGHNHKSKJL-NSHDSACASA-N 1 0 322.365 1.920 20 5 DDBDRO [NH3+]CC[C@H]1CCCN(C(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000282044332 408978881 /nfs/dbraw/zinc/97/88/81/408978881.db2.gz UYCRLOAGYKJSIA-GFCCVEGCSA-N 1 0 307.350 1.561 20 5 DDBDRO C[C@H]1C[C@@H](O)CC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000292129662 408985471 /nfs/dbraw/zinc/98/54/71/408985471.db2.gz BFQGVVOQFYJAMW-RYUDHWBXSA-N 1 0 307.350 1.769 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@@H](O)CC2)c1 ZINC000293288062 409083802 /nfs/dbraw/zinc/08/38/02/409083802.db2.gz VURYUIXGWSLYMN-ZIAGYGMSSA-N 1 0 310.350 1.181 20 5 DDBDRO O=C1C[C@]2(CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C2)CN1 ZINC000278837665 409098061 /nfs/dbraw/zinc/09/80/61/409098061.db2.gz IXLDDXANPCURAC-CQSZACIVSA-N 1 0 309.753 1.960 20 5 DDBDRO CC(C)[N@H+](CCOCCO)CCOc1cccc([N+](=O)[O-])c1 ZINC000283681948 409194813 /nfs/dbraw/zinc/19/48/13/409194813.db2.gz HOAONRUIIVUEEV-UHFFFAOYSA-N 1 0 312.366 1.693 20 5 DDBDRO CCN1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)[C@@H](C)C1 ZINC000288418030 409165187 /nfs/dbraw/zinc/16/51/87/409165187.db2.gz MAAZIVJKWZGUCN-JTQLQIEISA-N 1 0 317.349 1.637 20 5 DDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000289208246 409233051 /nfs/dbraw/zinc/23/30/51/409233051.db2.gz KFHYVOIFXCPWLW-INIZCTEOSA-N 1 0 303.362 1.739 20 5 DDBDRO C[N@@H+]1CC[C@]2(CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000293895015 409201934 /nfs/dbraw/zinc/20/19/34/409201934.db2.gz NEDMRRLFWKYBON-INIZCTEOSA-N 1 0 303.362 1.692 20 5 DDBDRO CCOc1cccc(N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)c1[N+](=O)[O-] ZINC000284995668 409390015 /nfs/dbraw/zinc/39/00/15/409390015.db2.gz LREHYTSGIHXJDQ-UONOGXRCSA-N 1 0 321.377 1.903 20 5 DDBDRO C[C@H](O)C[N@@H+]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000284350120 409330464 /nfs/dbraw/zinc/33/04/64/409330464.db2.gz MFSPIUBWGDDFOX-CJKAQPIMSA-N 1 0 319.405 1.995 20 5 DDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)CC(C)(C)CO ZINC000295293466 409416780 /nfs/dbraw/zinc/41/67/80/409416780.db2.gz UJFAOYZZPYKVTK-LLVKDONJSA-N 1 0 309.366 1.872 20 5 DDBDRO O=[N+]([O-])c1ccc(CN2CC[C@H](N3CCOCC3)C2)cc1F ZINC000316493830 164022368 /nfs/dbraw/zinc/02/23/68/164022368.db2.gz XZRSZOVCYPUAJQ-ZDUSSCGKSA-N 1 0 309.341 1.640 20 5 DDBDRO C[N@H+](CCCNC(=O)c1cc([N+](=O)[O-])n[nH]1)C1CCCCC1 ZINC000285509809 409473081 /nfs/dbraw/zinc/47/30/81/409473081.db2.gz QCOZYXPJNKLMTE-UHFFFAOYSA-N 1 0 309.370 1.702 20 5 DDBDRO Cc1cc(C(=O)N[C@@H]2CCC[N@H+](CCCO)C2)ccc1[N+](=O)[O-] ZINC000295412603 409474053 /nfs/dbraw/zinc/47/40/53/409474053.db2.gz JLTZOKTUDOVGCT-CQSZACIVSA-N 1 0 321.377 1.480 20 5 DDBDRO Cc1noc([C@H]2CCCCN2CCn2cc([N+](=O)[O-])cn2)n1 ZINC000285514902 409475210 /nfs/dbraw/zinc/47/52/10/409475210.db2.gz DOMXABYFMZXYGZ-GFCCVEGCSA-N 1 0 306.326 1.710 20 5 DDBDRO C[C@@H]1C[N@@H+](C2CCN(c3ncc([N+](=O)[O-])cc3F)CC2)CCO1 ZINC000408464934 164340046 /nfs/dbraw/zinc/34/00/46/164340046.db2.gz GFKRESWQZPWBLU-LLVKDONJSA-N 1 0 324.356 1.818 20 5 DDBDRO COC(=O)c1cnc(N[C@H](C)C[N@H+](C)C(C)C)c([N+](=O)[O-])c1 ZINC000290703925 409493757 /nfs/dbraw/zinc/49/37/57/409493757.db2.gz NRVRHVRJVRESIW-SNVBAGLBSA-N 1 0 310.354 1.917 20 5 DDBDRO CNC(=O)c1ccc(N2CC[N@H+](C)CC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000354079116 409637119 /nfs/dbraw/zinc/63/71/19/409637119.db2.gz CGFQSLWDYSOOCC-NSHDSACASA-N 1 0 306.366 1.485 20 5 DDBDRO Cc1nn(CCC(=O)N2CC[N@@H+](C)CC[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000354007557 409594031 /nfs/dbraw/zinc/59/40/31/409594031.db2.gz QNFNCIDYEPSWPI-NSHDSACASA-N 1 0 323.397 1.351 20 5 DDBDRO COc1ccc(C[NH2+][C@H]2CS(=O)(=O)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000342415681 409612903 /nfs/dbraw/zinc/61/29/03/409612903.db2.gz KMSMUTMUQPPHCI-ONGXEEELSA-N 1 0 314.363 1.126 20 5 DDBDRO C[C@]1(O)CCOC[C@@H]1[C@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000331623722 409705657 /nfs/dbraw/zinc/70/56/57/409705657.db2.gz YEXKBUXXPHEAMA-KFWWJZLASA-N 1 0 324.381 1.043 20 5 DDBDRO C[N@H+](CC(C)(C)O)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000304737535 409642351 /nfs/dbraw/zinc/64/23/51/409642351.db2.gz SNZZUVMELBEAEU-ZDUSSCGKSA-N 1 0 307.350 1.403 20 5 DDBDRO C[C@@H]1[C@H](C)N(C(=O)CCOc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000356843158 409655400 /nfs/dbraw/zinc/65/54/00/409655400.db2.gz GBLWLEUAMPODOX-OLZOCXBDSA-N 1 0 321.377 1.915 20 5 DDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CCN(C3CC3)C2)cc1 ZINC000354284114 409748595 /nfs/dbraw/zinc/74/85/95/409748595.db2.gz WANIICLWZLXUGV-SNVBAGLBSA-N 1 0 311.363 1.110 20 5 DDBDRO [NH3+]C1(CNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CCC1 ZINC000342597920 409752257 /nfs/dbraw/zinc/75/22/57/409752257.db2.gz TYARSWQBODWABF-UHFFFAOYSA-N 1 0 315.333 1.392 20 5 DDBDRO CCOCC[N@@H+]1CCN(c2ncc([N+](=O)[O-])c(C)n2)C[C@H]1CC ZINC000297054962 409780339 /nfs/dbraw/zinc/78/03/39/409780339.db2.gz IQCSLXYDYAOSLT-CYBMUJFWSA-N 1 0 323.397 1.630 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCC1CC[NH2+]CC1 ZINC000297140915 409825181 /nfs/dbraw/zinc/82/51/81/409825181.db2.gz IBVYPVIVPGOOAL-UHFFFAOYSA-N 1 0 306.366 1.390 20 5 DDBDRO [NH3+]C[C@@H]1CN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CCCO1 ZINC000313387687 409805216 /nfs/dbraw/zinc/80/52/16/409805216.db2.gz SKMXEKPICOZFOF-VBROQKIQSA-N 1 0 305.334 1.184 20 5 DDBDRO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000313343223 409808045 /nfs/dbraw/zinc/80/80/45/409808045.db2.gz FMWXCIUUMKUCCJ-AWEZNQCLSA-N 1 0 300.318 1.710 20 5 DDBDRO O=C(NC[C@H]1CC[NH2+]C1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000342752323 409876485 /nfs/dbraw/zinc/87/64/85/409876485.db2.gz HFHSRPGTQZNDJZ-JTQLQIEISA-N 1 0 304.350 1.508 20 5 DDBDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)C(C)(C)n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000346263209 409890437 /nfs/dbraw/zinc/89/04/37/409890437.db2.gz BXJPKZALBQTUPV-OAHLLOKOSA-N 1 0 321.381 1.081 20 5 DDBDRO Cn1c(C(=O)NCc2ccccc2C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000342857244 409952980 /nfs/dbraw/zinc/95/29/80/409952980.db2.gz KUCHTTVDGNYMAA-UHFFFAOYSA-N 1 0 316.361 1.925 20 5 DDBDRO C[C@@H](Cn1cccn1)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000354927305 410182815 /nfs/dbraw/zinc/18/28/15/410182815.db2.gz CDEQUGQUYKRJTD-LBPRGKRZSA-N 1 0 317.349 1.798 20 5 DDBDRO CCC[N@H+](CC)C[C@H](C)Nc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000357774923 410241509 /nfs/dbraw/zinc/24/15/09/410241509.db2.gz NCEWVVNOITVOCE-JTQLQIEISA-N 1 0 309.370 1.621 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@H](O)[C@@H](C)C1 ZINC000351827957 410271835 /nfs/dbraw/zinc/27/18/35/410271835.db2.gz MSUSNIUMXFCBPM-FZMZJTMJSA-N 1 0 307.350 1.544 20 5 DDBDRO C[C@@H]1C[N@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C[C@H]1O ZINC000351774896 410224715 /nfs/dbraw/zinc/22/47/15/410224715.db2.gz PGFPHEDEWSVUPT-ZWNOBZJWSA-N 1 0 321.333 1.205 20 5 DDBDRO C[C@@H]1[C@H](O)CCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000298430188 410225498 /nfs/dbraw/zinc/22/54/98/410225498.db2.gz QAAFOJDEEVRCPV-BXUZGUMPSA-N 1 0 307.350 1.769 20 5 DDBDRO Cc1c(NC(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000332717186 410230873 /nfs/dbraw/zinc/23/08/73/410230873.db2.gz WIMMZRDGKKFUIL-NEPJUHHUSA-N 1 0 304.350 1.976 20 5 DDBDRO C[N@@H+]1CCC[C@H]1CNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000357908911 410321881 /nfs/dbraw/zinc/32/18/81/410321881.db2.gz FMLOGRLGKUOUQM-LBPRGKRZSA-N 1 0 309.391 1.897 20 5 DDBDRO C[C@@H]([NH3+])[C@@H]1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000351862001 410299715 /nfs/dbraw/zinc/29/97/15/410299715.db2.gz MZPVXINJKRBZMT-ZYHUDNBSSA-N 1 0 317.349 1.814 20 5 DDBDRO C[C@H]1C[N@H+](CCCNC(=O)c2cc([N+](=O)[O-])c[nH]2)CCCO1 ZINC000347187230 410379950 /nfs/dbraw/zinc/37/99/50/410379950.db2.gz KVJMEMUEHODSKM-NSHDSACASA-N 1 0 310.354 1.154 20 5 DDBDRO COc1cc(C[NH+]2CCC(C(=O)N(C)C)CC2)ccc1[N+](=O)[O-] ZINC000351970406 410383727 /nfs/dbraw/zinc/38/37/27/410383727.db2.gz BFMHRBWIOAUOBC-UHFFFAOYSA-N 1 0 321.377 1.904 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@](C)(O)CC[NH+](C)C ZINC000352122896 410496238 /nfs/dbraw/zinc/49/62/38/410496238.db2.gz UJMNWMCVDAXGAM-OAHLLOKOSA-N 1 0 309.366 1.336 20 5 DDBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000343598129 410561993 /nfs/dbraw/zinc/56/19/93/410561993.db2.gz ICBHVSLZYMAEPS-LBPRGKRZSA-N 1 0 309.370 1.172 20 5 DDBDRO C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCC(F)(F)CC1 ZINC000347610939 410630287 /nfs/dbraw/zinc/63/02/87/410630287.db2.gz CAALOCHHZNNECA-GFCCVEGCSA-N 1 0 318.324 1.662 20 5 DDBDRO Cc1ccnc(NC[C@@H](O)C[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000301306557 410695673 /nfs/dbraw/zinc/69/56/73/410695673.db2.gz VDIIXHFZSOFJBA-CYBMUJFWSA-N 1 0 308.382 1.803 20 5 DDBDRO C[N@@H+]1CCC[C@H](N2CCN(c3ccc([N+](=O)[O-])cn3)CC2)C1 ZINC000301304597 410696530 /nfs/dbraw/zinc/69/65/30/410696530.db2.gz TWCAOSZMGJVBRK-AWEZNQCLSA-N 1 0 305.382 1.206 20 5 DDBDRO C[C@@H]1[C@H](NC(=O)NCCc2ccc([N+](=O)[O-])cc2)CCC[N@@H+]1C ZINC000343802148 410710798 /nfs/dbraw/zinc/71/07/98/410710798.db2.gz SORXJRVKRHHPSW-IUODEOHRSA-N 1 0 320.393 1.919 20 5 DDBDRO CCC(=O)c1ccc(NC[C@@]2(O)CC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC000359564390 410733896 /nfs/dbraw/zinc/73/38/96/410733896.db2.gz KWNWROSKKMKORO-HNNXBMFYSA-N 1 0 307.350 1.666 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@@H]2Cc2ccccc2)c1 ZINC000353040143 410753835 /nfs/dbraw/zinc/75/38/35/410753835.db2.gz NIBAZDMKTGMDLQ-GDBMZVCRSA-N 1 0 316.361 1.469 20 5 DDBDRO Cc1nc(N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)ccc1[N+](=O)[O-] ZINC000301646818 410763885 /nfs/dbraw/zinc/76/38/85/410763885.db2.gz IDUCGJGORMAGMD-AWEZNQCLSA-N 1 0 319.409 1.514 20 5 DDBDRO Cn1nc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000356120439 410849413 /nfs/dbraw/zinc/84/94/13/410849413.db2.gz UHIZYJHYSRPHFE-JTQLQIEISA-N 1 0 323.378 1.423 20 5 DDBDRO CC[NH+](CC)C[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000359984596 410982884 /nfs/dbraw/zinc/98/28/84/410982884.db2.gz BRYRDKBPWMYSKE-VIFPVBQESA-N 1 0 321.424 1.665 20 5 DDBDRO CC(C)[C@H]1CN(C(=O)COc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000331184642 411003826 /nfs/dbraw/zinc/00/38/26/411003826.db2.gz YIYASLLSUYDWMI-OAHLLOKOSA-N 1 0 321.377 1.772 20 5 DDBDRO C[C@@H]1[C@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CCS1(=O)=O ZINC000353854313 411136459 /nfs/dbraw/zinc/13/64/59/411136459.db2.gz IXQOLBAHXCJFOG-DMBZQDCGSA-N 1 0 310.375 1.773 20 5 DDBDRO Cc1nn(C)c(NC[C@H]2CCC[C@@H]2[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000360230822 411107000 /nfs/dbraw/zinc/10/70/00/411107000.db2.gz REHMXRSNRBHCPP-OLZOCXBDSA-N 1 0 323.397 1.550 20 5 DDBDRO COc1ccc(C[N@@H+]2CCC[C@]3(CNC(=O)C3)C2)cc1[N+](=O)[O-] ZINC000353767457 411126699 /nfs/dbraw/zinc/12/66/99/411126699.db2.gz LELKIQVKNHZOLV-INIZCTEOSA-N 1 0 319.361 1.706 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000417172967 225232500 /nfs/dbraw/zinc/23/25/00/225232500.db2.gz GPFKPCORINCVJP-MNOVXSKESA-N 1 0 322.365 1.482 20 5 DDBDRO CN(C)C1(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000417352072 225304561 /nfs/dbraw/zinc/30/45/61/225304561.db2.gz FFSXMLFJQMBOJF-CHWSQXEVSA-N 1 0 307.398 1.959 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000417195318 225240308 /nfs/dbraw/zinc/24/03/08/225240308.db2.gz NZLPJJLSJZMSGK-NSHDSACASA-N 1 0 308.338 1.155 20 5 DDBDRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000418602626 225822140 /nfs/dbraw/zinc/82/21/40/225822140.db2.gz WAIDLFXPGARHNN-WFASDCNBSA-N 1 0 320.393 1.777 20 5 DDBDRO C[C@@H]1OCC[C@]12CN(Cc1c([N+](=O)[O-])ncn1C)C[C@@H](C)O2 ZINC000366085781 418428595 /nfs/dbraw/zinc/42/85/95/418428595.db2.gz HBWCOSCTKYTGRL-SUNKGSAMSA-N 1 0 310.354 1.097 20 5 DDBDRO Cc1nn(C)c(C(=O)N2CCC[C@@H]3C[NH2+]CCC[C@H]32)c1[N+](=O)[O-] ZINC000373549484 418437329 /nfs/dbraw/zinc/43/73/29/418437329.db2.gz SJNMNOPNXNUZOE-VXGBXAGGSA-N 1 0 321.381 1.241 20 5 DDBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000366458441 418476117 /nfs/dbraw/zinc/47/61/17/418476117.db2.gz DDVVSUJSXXUVII-YYAKZPHOSA-N 1 0 301.346 1.818 20 5 DDBDRO O=C1NC[C@@H]2[C@H]1CCC[N@H+]2CCOc1ccc([N+](=O)[O-])cc1 ZINC000366882758 418531145 /nfs/dbraw/zinc/53/11/45/418531145.db2.gz MCKHDXLSFTYMKM-ZIAGYGMSSA-N 1 0 305.334 1.184 20 5 DDBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC([NH+](C)C)C1 ZINC000360936808 418551423 /nfs/dbraw/zinc/55/14/23/418551423.db2.gz HBRGBEWMZRJFCB-ZDUSSCGKSA-N 1 0 305.378 1.936 20 5 DDBDRO CC(C)C[C@@H]1C(=O)NCCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000189829033 222057910 /nfs/dbraw/zinc/05/79/10/222057910.db2.gz ZOSQVDAEZZIXIO-OAHLLOKOSA-N 1 0 321.377 1.820 20 5 DDBDRO CC(C)C[C@H]1C(=O)NCCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000189829053 222058246 /nfs/dbraw/zinc/05/82/46/222058246.db2.gz ZOSQVDAEZZIXIO-HNNXBMFYSA-N 1 0 321.377 1.820 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000361108872 418585159 /nfs/dbraw/zinc/58/51/59/418585159.db2.gz MOLTYCJMMJGYQE-KBPBESRZSA-N 1 0 304.350 1.416 20 5 DDBDRO COC(=O)c1cc(C)nc(NC[C@H](C2CC2)[NH+](C)C)c1[N+](=O)[O-] ZINC000342003278 418627204 /nfs/dbraw/zinc/62/72/04/418627204.db2.gz HKPBRIJKNOHXTB-GFCCVEGCSA-N 1 0 322.365 1.837 20 5 DDBDRO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1C[C@H]1[N+](=O)[O-] ZINC000375668209 418670579 /nfs/dbraw/zinc/67/05/79/418670579.db2.gz DNOMXMNIDZOPBW-SOUVJXGZSA-N 1 0 303.362 1.290 20 5 DDBDRO CCOc1cc(C[N@@H+]2CC[C@H]3C(=O)NC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000368063183 418682621 /nfs/dbraw/zinc/68/26/21/418682621.db2.gz MLSLBHXJOMLPQM-QWHCGFSZSA-N 1 0 319.361 1.561 20 5 DDBDRO [NH3+]C[C@@H]1CC[C@H](NS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000382470126 418730372 /nfs/dbraw/zinc/73/03/72/418730372.db2.gz PFMWERURLARUIB-NEPJUHHUSA-N 1 0 313.379 1.142 20 5 DDBDRO O=C(c1n[nH]cc1[N+](=O)[O-])N1CCC[C@@H]1C[NH+]1CCCCCC1 ZINC000364616731 418793513 /nfs/dbraw/zinc/79/35/13/418793513.db2.gz TYESPJKNROBMPN-GFCCVEGCSA-N 1 0 321.381 1.799 20 5 DDBDRO CCOC(C[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1)OCC ZINC000372470462 418873652 /nfs/dbraw/zinc/87/36/52/418873652.db2.gz FKYGXJBETWDOTG-LBPRGKRZSA-N 1 0 312.370 1.827 20 5 DDBDRO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@]1(CO)CCOC1 ZINC000411511613 418911166 /nfs/dbraw/zinc/91/11/66/418911166.db2.gz ZDSQPOBWDZISAM-OAHLLOKOSA-N 1 0 323.349 1.007 20 5 DDBDRO Cc1cc(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)ccc1[N+](=O)[O-] ZINC000372943702 418915303 /nfs/dbraw/zinc/91/53/03/418915303.db2.gz CFPNLPUTFBOTBO-ZIAGYGMSSA-N 1 0 319.361 1.496 20 5 DDBDRO O=C(C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)N1CCCCC1 ZINC000365871003 418918269 /nfs/dbraw/zinc/91/82/69/418918269.db2.gz IGAJWHNYOGYNKI-UHFFFAOYSA-N 1 0 321.381 1.441 20 5 DDBDRO COCC[C@]1(C(=O)NCc2cccc([N+](=O)[O-])c2C)CC[NH2+]C1 ZINC000423810211 227709843 /nfs/dbraw/zinc/70/98/43/227709843.db2.gz NOUJGJNDBQWPFS-MRXNPFEDSA-N 1 0 321.377 1.536 20 5 DDBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCC(=O)N(C)C1=O ZINC000424310406 228257262 /nfs/dbraw/zinc/25/72/62/228257262.db2.gz CGRHUUVFVZONRO-YPMHNXCESA-N 1 0 319.361 1.653 20 5 DDBDRO CN(C(=O)NCCc1cccc([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000417931064 419395386 /nfs/dbraw/zinc/39/53/86/419395386.db2.gz BMOBUWPBWBASTF-UHFFFAOYSA-N 1 0 306.366 1.531 20 5 DDBDRO CN(C[C@H](O)COc1cccc([N+](=O)[O-])c1)C[C@@H]1CCC[N@@H+]1C ZINC000421000181 419434256 /nfs/dbraw/zinc/43/42/56/419434256.db2.gz KANZSJACSKSMHN-GJZGRUSLSA-N 1 0 323.393 1.361 20 5 DDBDRO C[C@H]([NH3+])CCNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000418085464 419519668 /nfs/dbraw/zinc/51/96/68/419519668.db2.gz VTWIDIVXMHRUGF-QMMMGPOBSA-N 1 0 306.326 1.008 20 5 DDBDRO Cc1ccc(CN2C[C@@H](C)[N@@H+](CCO)C[C@H]2C)cc1[N+](=O)[O-] ZINC000418112747 419542024 /nfs/dbraw/zinc/54/20/24/419542024.db2.gz LNOXLYBBJPMREP-ZIAGYGMSSA-N 1 0 307.394 1.790 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1CN1C[C@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000418122948 419553282 /nfs/dbraw/zinc/55/32/82/419553282.db2.gz YGKIXUWHGVKXNG-KBPBESRZSA-N 1 0 307.394 1.790 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)NCC[NH+]1CCCCC1 ZINC000298499500 228587399 /nfs/dbraw/zinc/58/73/99/228587399.db2.gz GRAOKERLCRWLRU-UHFFFAOYSA-N 1 0 307.350 1.576 20 5 DDBDRO CC(C)[C@@H]1[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC12CCC2 ZINC000427188143 419613560 /nfs/dbraw/zinc/61/35/60/419613560.db2.gz WZAHFBFQEGKILY-KBPBESRZSA-N 1 0 308.382 1.663 20 5 DDBDRO COc1c(C(=O)N(C)C[C@H]2CCC[N@@H+]2C)cccc1[N+](=O)[O-] ZINC000421711923 419697851 /nfs/dbraw/zinc/69/78/51/419697851.db2.gz PKHYHDPDUDAWGP-LLVKDONJSA-N 1 0 307.350 1.770 20 5 DDBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000418312871 419700228 /nfs/dbraw/zinc/70/02/28/419700228.db2.gz HUXWKYKOFFDQJF-AWEZNQCLSA-N 1 0 320.393 1.778 20 5 DDBDRO O=C(NC[C@@H]1CCC[NH2+]C1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000418355880 419737455 /nfs/dbraw/zinc/73/74/55/419737455.db2.gz XIUITOYXBQACGO-GFCCVEGCSA-N 1 0 318.377 1.662 20 5 DDBDRO CC(C)(C)C1=CC[N@H+](CCNc2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000413276509 419779578 /nfs/dbraw/zinc/77/95/78/419779578.db2.gz FODBTCJDICGQHH-UHFFFAOYSA-N 1 0 320.397 1.479 20 5 DDBDRO C[NH2+]CCNCc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000414829357 419832408 /nfs/dbraw/zinc/83/24/08/419832408.db2.gz MJMBGASWOSZGJW-UHFFFAOYSA-N 1 0 319.308 1.556 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCCNc1cc[nH+]cc1 ZINC000422121456 419846998 /nfs/dbraw/zinc/84/69/98/419846998.db2.gz OFCOVZXZYHEJBQ-UHFFFAOYSA-N 1 0 314.345 1.870 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H]1CCOC[C@@H]1C ZINC000433154688 229163038 /nfs/dbraw/zinc/16/30/38/229163038.db2.gz UJHCTEAZHQYVQN-RYUDHWBXSA-N 1 0 307.350 1.856 20 5 DDBDRO CN(Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C[C@H](O)C[NH3+] ZINC000415067942 419929627 /nfs/dbraw/zinc/92/96/27/419929627.db2.gz LSSCDFTYXAZHIE-CYBMUJFWSA-N 1 0 322.390 1.470 20 5 DDBDRO COc1cc(C(=O)N2CC[C@H](C[NH3+])C2)cc([N+](=O)[O-])c1OC ZINC000429067406 419968156 /nfs/dbraw/zinc/96/81/56/419968156.db2.gz ZEZRNODUBQXRKK-SECBINFHSA-N 1 0 309.322 1.033 20 5 DDBDRO C[C@@H]1CN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000429167012 419979550 /nfs/dbraw/zinc/97/95/50/419979550.db2.gz WSEHDKXXGAAJPO-ZWNOBZJWSA-N 1 0 318.377 1.978 20 5 DDBDRO Cc1ccc(NC(=O)C(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000415432981 420063817 /nfs/dbraw/zinc/06/38/17/420063817.db2.gz HSPCNDADSDOFOV-JQWIXIFHSA-N 1 0 320.349 1.037 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000430553498 420136306 /nfs/dbraw/zinc/13/63/06/420136306.db2.gz TWIYHPMRLNQDJJ-CHWSQXEVSA-N 1 0 320.393 1.901 20 5 DDBDRO [NH3+]C[C@@H]1CCCN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000430562905 420137786 /nfs/dbraw/zinc/13/77/86/420137786.db2.gz SRFNUSHTTYFCKN-LBPRGKRZSA-N 1 0 303.322 1.568 20 5 DDBDRO Cc1c(NC(=O)C(=O)N(C)CC(C)(C)C[NH3+])cccc1[N+](=O)[O-] ZINC000415484940 420085452 /nfs/dbraw/zinc/08/54/52/420085452.db2.gz PGULMWSIYNRNKN-UHFFFAOYSA-N 1 0 322.365 1.285 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000415489708 420087457 /nfs/dbraw/zinc/08/74/57/420087457.db2.gz XIMMXEZDRCKUPR-LBPRGKRZSA-N 1 0 322.365 1.712 20 5 DDBDRO CCCC[C@H](C[NH3+])NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000415493757 420088492 /nfs/dbraw/zinc/08/84/92/420088492.db2.gz HGJPFYQYWHPDMU-LLVKDONJSA-N 1 0 308.338 1.167 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c1 ZINC000423592109 420091513 /nfs/dbraw/zinc/09/15/13/420091513.db2.gz LCFWAZQHZLDRLA-TXEJJXNPSA-N 1 0 319.361 1.960 20 5 DDBDRO C[C@@H]1CCCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]1C[NH3+] ZINC000420290193 420184872 /nfs/dbraw/zinc/18/48/72/420184872.db2.gz LMSPBEDFMLCXRQ-IUODEOHRSA-N 1 0 320.393 1.983 20 5 DDBDRO CCC[C@H]1C[NH2+]CCN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000420316530 420202911 /nfs/dbraw/zinc/20/29/11/420202911.db2.gz YIFXQPFLXGARLN-ZDUSSCGKSA-N 1 0 320.393 1.997 20 5 DDBDRO Cc1c(NC(=O)[C@H](C)N2CC[C@@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000430917294 420204836 /nfs/dbraw/zinc/20/48/36/420204836.db2.gz JMJZLGDZPVYVJC-RYUDHWBXSA-N 1 0 306.366 1.511 20 5 DDBDRO [NH3+]CCCCNc1cc(CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000420237398 420162225 /nfs/dbraw/zinc/16/22/25/420162225.db2.gz QLZJJQCLQOIKBW-UHFFFAOYSA-N 1 0 308.382 1.578 20 5 DDBDRO [NH3+][C@H]1CCC[C@H](CNc2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000420274329 420177375 /nfs/dbraw/zinc/17/73/75/420177375.db2.gz FNLBYTXGPRFMDA-QWRGUYRKSA-N 1 0 301.350 2.467 20 5 DDBDRO CN1CC[NH2+]C[C@H]1CNc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000420282425 420181398 /nfs/dbraw/zinc/18/13/98/420181398.db2.gz WPRQAKWBTOXCPF-JTQLQIEISA-N 1 0 316.308 1.512 20 5 DDBDRO COc1ccc(NC(=O)[C@H](C)N2CC[C@H]([NH3+])[C@@H]2C)c([N+](=O)[O-])c1 ZINC000420349884 420227454 /nfs/dbraw/zinc/22/74/54/420227454.db2.gz FANPASCLWFARIW-NHCYSSNCSA-N 1 0 322.365 1.352 20 5 DDBDRO COc1ccc(NC(=O)CCN2CC[C@H]([NH3+])[C@@H]2C)c([N+](=O)[O-])c1 ZINC000420350515 420229440 /nfs/dbraw/zinc/22/94/40/420229440.db2.gz HEMGOSRVGXTMHS-JQWIXIFHSA-N 1 0 322.365 1.354 20 5 DDBDRO C[N@@H+]1CC[C@@](O)(CN[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000433228305 420251687 /nfs/dbraw/zinc/25/16/87/420251687.db2.gz OJZOZNGWYMZMKJ-DOTOQJQBSA-N 1 0 319.405 1.973 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000433847088 420255926 /nfs/dbraw/zinc/25/59/26/420255926.db2.gz CMMMJRVOHNNBAT-WDEREUQCSA-N 1 0 321.381 1.798 20 5 DDBDRO CC(C)(C)[C@@H](C[NH3+])NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000423963396 420286037 /nfs/dbraw/zinc/28/60/37/420286037.db2.gz WBBKVNMFEMTZKI-CYBMUJFWSA-N 1 0 309.366 1.853 20 5 DDBDRO [NH3+][C@H]1CCC[C@@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000420470843 420307313 /nfs/dbraw/zinc/30/73/13/420307313.db2.gz QUBUKOUJMPVBEC-BDAKNGLRSA-N 1 0 319.408 1.452 20 5 DDBDRO C[C@@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)[C@@H](C)C[N@@H+]1CCO ZINC000416303859 420321933 /nfs/dbraw/zinc/32/19/33/420321933.db2.gz HMXGOVLBYDOHJA-OLZOCXBDSA-N 1 0 321.377 1.051 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)c1[N+](=O)[O-] ZINC000425060285 420325578 /nfs/dbraw/zinc/32/55/78/420325578.db2.gz VFHHBTXHDRHAGR-WDEREUQCSA-N 1 0 321.381 1.608 20 5 DDBDRO CC(C)[C@H]([NH3+])CNS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000420457378 420299564 /nfs/dbraw/zinc/29/95/64/420299564.db2.gz OMIIMIAMIQZSAB-GFCCVEGCSA-N 1 0 315.395 1.040 20 5 DDBDRO Cc1cc(S(=O)(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000445560747 230184110 /nfs/dbraw/zinc/18/41/10/230184110.db2.gz ZXGSWIXXROIGCA-GHMZBOCLSA-N 1 0 313.379 1.451 20 5 DDBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](CC[C@H]3CCOC3)C2)nc1 ZINC000438096546 420438991 /nfs/dbraw/zinc/43/89/91/420438991.db2.gz OWDGXCZLZIKYRK-QWHCGFSZSA-N 1 0 306.366 1.903 20 5 DDBDRO [NH3+]C[C@H]1CCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000417721070 420460676 /nfs/dbraw/zinc/46/06/76/420460676.db2.gz SZNVQQJTCFRIIX-CQSZACIVSA-N 1 0 320.393 1.908 20 5 DDBDRO C[C@@H]1CN(c2c3c(ccc2[N+](=O)[O-])NCC3)C[C@H](C)[N@H+]1CCO ZINC000450796931 420533160 /nfs/dbraw/zinc/53/31/60/420533160.db2.gz RNWOFKYZCHPCGM-TXEJJXNPSA-N 1 0 320.393 1.454 20 5 DDBDRO C[C@@H]1C[C@H](C[NH3+])CN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000442767554 420712011 /nfs/dbraw/zinc/71/20/11/420712011.db2.gz RDEUJZQRJZFPCM-VXGBXAGGSA-N 1 0 306.366 1.227 20 5 DDBDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000447816465 420804676 /nfs/dbraw/zinc/80/46/76/420804676.db2.gz KYQMNOQDZMHFPG-LBPRGKRZSA-N 1 0 321.381 1.621 20 5 DDBDRO CNc1nc(C(=O)NCC[N@@H+]2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000454735377 420917504 /nfs/dbraw/zinc/91/75/04/420917504.db2.gz KHAWYYBNRWHFIJ-LLVKDONJSA-N 1 0 321.381 1.636 20 5 DDBDRO CNc1nc(C(=O)NCC[NH+]2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000454746954 420918775 /nfs/dbraw/zinc/91/87/75/420918775.db2.gz SVEKOOYJPVHHHO-UHFFFAOYSA-N 1 0 321.381 1.493 20 5 DDBDRO O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])NCC[C@H]1CC[NH2+]C1 ZINC000493812445 420947037 /nfs/dbraw/zinc/94/70/37/420947037.db2.gz BQBUBAMBGWTNBB-JRBALWBOSA-N 1 0 307.325 1.863 20 5 DDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000449688309 421058850 /nfs/dbraw/zinc/05/88/50/421058850.db2.gz GDXUHBLMZBLQMT-GJZGRUSLSA-N 1 0 317.389 1.985 20 5 DDBDRO C[C@H]([NH3+])[C@H](C)NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000449594002 421034812 /nfs/dbraw/zinc/03/48/12/421034812.db2.gz WRDNPKYSHVGMKX-IUCAKERBSA-N 1 0 315.757 1.869 20 5 DDBDRO CCOc1ccc(C(=O)N[C@H]2CC[NH2+]C2(C)C)cc1[N+](=O)[O-] ZINC000449748999 421074060 /nfs/dbraw/zinc/07/40/60/421074060.db2.gz ODRPZSMWGISWLZ-ZDUSSCGKSA-N 1 0 307.350 1.864 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(NC[C@H]2CCC[N@@H+]2CCCO)c1 ZINC000450593997 421213817 /nfs/dbraw/zinc/21/38/17/421213817.db2.gz JWWUYSGXEGVKEX-GFCCVEGCSA-N 1 0 309.366 1.862 20 5 DDBDRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000560978312 421300791 /nfs/dbraw/zinc/30/07/91/421300791.db2.gz AEILUQFFTQCNMB-NSHDSACASA-N 1 0 309.370 1.558 20 5 DDBDRO O=C(NCC[C@@H]1CCC[NH2+]C1)NCc1cccc([N+](=O)[O-])c1 ZINC000561152591 421308646 /nfs/dbraw/zinc/30/86/46/421308646.db2.gz KZRSYSXRRNDDJA-LBPRGKRZSA-N 1 0 306.366 1.784 20 5 DDBDRO C[C@@]1(CO)CCC[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000546809470 421311885 /nfs/dbraw/zinc/31/18/85/421311885.db2.gz QRSHPSPOOGWVDJ-INIZCTEOSA-N 1 0 319.361 1.331 20 5 DDBDRO CC[NH+]1CCC(CCNC(=O)c2ccnc(N)c2[N+](=O)[O-])CC1 ZINC000548091582 421399181 /nfs/dbraw/zinc/39/91/81/421399181.db2.gz JTASPOSPIDFALB-UHFFFAOYSA-N 1 0 321.381 1.424 20 5 DDBDRO CC[C@H]1[NH2+]CC[C@H]1C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000563159602 421466250 /nfs/dbraw/zinc/46/62/50/421466250.db2.gz GNWRJKYGQQYZNG-CHWSQXEVSA-N 1 0 304.350 1.263 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H]2C[C@H](c3ccccc3)C2)c1 ZINC000517925388 421632865 /nfs/dbraw/zinc/63/28/65/421632865.db2.gz HZZAAYSJRAXKKR-DZKIICNBSA-N 1 0 316.361 1.688 20 5 DDBDRO CS[C@H](C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)(C)C ZINC000570509904 421651046 /nfs/dbraw/zinc/65/10/46/421651046.db2.gz LRRXVDZPCQEVMI-VXGBXAGGSA-N 1 0 316.427 1.520 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC[C@H]([NH+]3CCOCC3)CC2)nc1 ZINC000518795867 421667910 /nfs/dbraw/zinc/66/79/10/421667910.db2.gz HQMUDHZHPSSKPA-ZDUSSCGKSA-N 1 0 306.366 1.681 20 5 DDBDRO C[NH+](C)CCOCCNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000540843075 421769600 /nfs/dbraw/zinc/76/96/00/421769600.db2.gz HZVCFQVHEMFBLQ-UHFFFAOYSA-N 1 0 315.757 1.556 20 5 DDBDRO Cc1cc(NC[C@H](C)S(C)(=O)=O)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000543979458 421842619 /nfs/dbraw/zinc/84/26/19/421842619.db2.gz MQWCJSQBEATDEJ-JTQLQIEISA-N 1 0 323.374 1.718 20 5 DDBDRO C[C@H](CCCC[NH3+])NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000582421485 422150002 /nfs/dbraw/zinc/15/00/02/422150002.db2.gz FFBDWHIJHQRMOK-SECBINFHSA-N 1 0 309.322 1.571 20 5 DDBDRO Nc1nccc(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000594418492 422348226 /nfs/dbraw/zinc/34/82/26/422348226.db2.gz JMOKFPHYETVWSR-NWDGAFQWSA-N 1 0 319.365 1.319 20 5 DDBDRO CC(C)Oc1nc(NC[C@H]2C[C@@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000594592578 422351763 /nfs/dbraw/zinc/35/17/63/422351763.db2.gz SBURPBNGDSGUOT-HAQNSBGRSA-N 1 0 308.382 2.529 20 5 DDBDRO CC1(C)CC[NH2+][C@@H]1C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000595951410 422359701 /nfs/dbraw/zinc/35/97/01/422359701.db2.gz KQTZECTULDEJSF-LLVKDONJSA-N 1 0 303.322 1.798 20 5 DDBDRO Nc1nc(NC[C@H]2CC[N@@H+]2C2CCCCC2)ncc1[N+](=O)[O-] ZINC000599125863 422402946 /nfs/dbraw/zinc/40/29/46/422402946.db2.gz DTECERYJSHIECY-LLVKDONJSA-N 1 0 306.370 1.208 20 5 DDBDRO Cc1cc(N2CCN([C@@H]3CC[NH2+]C3)CC2)c(F)cc1[N+](=O)[O-] ZINC000320412819 271025278 /nfs/dbraw/zinc/02/52/78/271025278.db2.gz SDBCSDLZRIFAPO-GFCCVEGCSA-N 1 0 308.357 1.526 20 5 DDBDRO COCC[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)(C)C ZINC000338377402 271043023 /nfs/dbraw/zinc/04/30/23/271043023.db2.gz IJUIUJWDYIFOFR-STQMWFEESA-N 1 0 314.386 1.193 20 5 DDBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H](CO)c2cccnc2)c(F)c1 ZINC000342276618 271363638 /nfs/dbraw/zinc/36/36/38/271363638.db2.gz KKVIITMPLUAKBC-ZDUSSCGKSA-N 1 0 305.309 1.995 20 5 DDBDRO CN(CC[NH+]1CCCC1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000343553295 271801461 /nfs/dbraw/zinc/80/14/61/271801461.db2.gz PVIZZBAVOXYKOQ-CQSZACIVSA-N 1 0 323.393 1.362 20 5 DDBDRO CNS(=O)(=O)CC[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000344796064 272120514 /nfs/dbraw/zinc/12/05/14/272120514.db2.gz NSVRJDMUDLAKAL-DHZHZOJOSA-N 1 0 313.379 1.137 20 5 DDBDRO CC[C@@H](CO)[NH+]1CCN(c2cccc(OC)c2[N+](=O)[O-])CC1 ZINC000185496017 273719178 /nfs/dbraw/zinc/71/91/78/273719178.db2.gz FJEDCNCUUVMBCB-LBPRGKRZSA-N 1 0 309.366 1.496 20 5 DDBDRO Cc1c(C(=O)N[C@@H]2CCC[C@@H]2C[NH3+])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000157891940 274660085 /nfs/dbraw/zinc/66/00/85/274660085.db2.gz XWJWFNAGJLWFIU-BXKDBHETSA-N 1 0 322.321 1.669 20 5 DDBDRO O=[N+]([O-])c1cnc(N2CC[NH+](CCc3cccs3)CC2)nc1 ZINC000273613542 275041083 /nfs/dbraw/zinc/04/10/83/275041083.db2.gz MOHYXZZGDHUADW-UHFFFAOYSA-N 1 0 319.390 1.811 20 5 DDBDRO CC[N@@H+]1CCC[C@@H](NC(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])C1 ZINC000331225061 276167578 /nfs/dbraw/zinc/16/75/78/276167578.db2.gz XLPFUVDJYLDVTB-SNVBAGLBSA-N 1 0 309.370 1.655 20 5 DDBDRO C[N@@H+]1CCC[C@@H](N2CCN(c3ccc(F)cc3[N+](=O)[O-])CC2)C1 ZINC000301309228 277053881 /nfs/dbraw/zinc/05/38/81/277053881.db2.gz XHLYPROGQZVDKQ-CQSZACIVSA-N 1 0 322.384 1.950 20 5 DDBDRO CN1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1=O ZINC000447536832 277204741 /nfs/dbraw/zinc/20/47/41/277204741.db2.gz QHYIJESTJVYJPO-UTUOFQBUSA-N 1 0 307.354 1.095 20 5 DDBDRO CNc1nc(C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000425062992 277303735 /nfs/dbraw/zinc/30/37/35/277303735.db2.gz DWURFDYIUGYTDF-GXFFZTMASA-N 1 0 319.365 1.198 20 5 DDBDRO C[C@H](C[NH3+])CNC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000441611281 279289259 /nfs/dbraw/zinc/28/92/59/279289259.db2.gz OHTSYGFLKXKPOJ-BDAKNGLRSA-N 1 0 315.757 1.727 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[C@H]2C[NH3+])c1 ZINC000422871549 279966214 /nfs/dbraw/zinc/96/62/14/279966214.db2.gz ZBUSCAJKXADDJF-GWCFXTLKSA-N 1 0 307.350 1.851 20 5 DDBDRO C[C@]1(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CCC(=O)N1 ZINC000453413788 280157535 /nfs/dbraw/zinc/15/75/35/280157535.db2.gz JHDOSODKWQLCEW-TYNCELHUSA-N 1 0 321.381 1.533 20 5 DDBDRO Cc1cc(C)c(S(=O)(=O)NC[C@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000440832977 280396033 /nfs/dbraw/zinc/39/60/33/280396033.db2.gz JULRRIVPHPCXPC-MRVPVSSYSA-N 1 0 301.368 1.085 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1C[C@H](C)[C@H]([NH3+])C1 ZINC000447245205 280655930 /nfs/dbraw/zinc/65/59/30/280655930.db2.gz CRPYTBURVHFXAK-CMPLNLGQSA-N 1 0 313.379 1.179 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000047923185 280874205 /nfs/dbraw/zinc/87/42/05/280874205.db2.gz RORBOQQNBDOAKT-CYBMUJFWSA-N 1 0 307.350 1.673 20 5 DDBDRO CCN1CCN(C(=O)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000127283890 281270487 /nfs/dbraw/zinc/27/04/87/281270487.db2.gz IOXCQBYAOKPCEV-UHFFFAOYSA-N 1 0 320.349 1.006 20 5 DDBDRO COc1ccc(C[NH2+]CC[C@@H](C)[S@@](C)=O)cc1[N+](=O)[O-] ZINC000129515388 281347796 /nfs/dbraw/zinc/34/77/96/281347796.db2.gz HZJGSJWQRKMZBR-SBKAZYGRSA-N 1 0 300.380 1.850 20 5 DDBDRO COc1cc(C(=O)N2C[C@H](C[NH3+])C[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000261882522 294937588 /nfs/dbraw/zinc/93/75/88/294937588.db2.gz MRHNHXVTHJILSR-ZJUUUORDSA-N 1 0 323.349 1.421 20 5 DDBDRO NC(=O)CC1(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000421892623 295037301 /nfs/dbraw/zinc/03/73/01/295037301.db2.gz WOQILEUKEGNWJL-NEPJUHHUSA-N 1 0 321.381 1.520 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357084922 298958744 /nfs/dbraw/zinc/95/87/44/298958744.db2.gz KHGQJBHBCNYBAH-CHWSQXEVSA-N 1 0 318.377 1.383 20 5 DDBDRO O=C1CC[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)[C@H](C2CC2)N1 ZINC000367465105 300849538 /nfs/dbraw/zinc/84/95/38/300849538.db2.gz YCRRMSWCFOQJDA-ZBFHGGJFSA-N 1 0 303.362 1.784 20 5 DDBDRO O=[N+]([O-])c1cnn(CCN2CCC[C@@H]([NH+]3CCCCC3)C2)c1 ZINC000369994143 301254458 /nfs/dbraw/zinc/25/44/58/301254458.db2.gz GHRLFJISQJPZOA-CQSZACIVSA-N 1 0 307.398 1.742 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CCN(C[C@H](O)c3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000370148575 301283461 /nfs/dbraw/zinc/28/34/61/301283461.db2.gz BFQHNSYPOOGNPN-KCXAZCMYSA-N 1 0 305.378 1.654 20 5 DDBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)COc3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC000374625655 301827087 /nfs/dbraw/zinc/82/70/87/301827087.db2.gz UBDIAJNHDMHCSS-KCPJHIHWSA-N 1 0 319.361 1.559 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H](C)[NH2+]C[C@H]1C ZINC000250926494 301864604 /nfs/dbraw/zinc/86/46/04/301864604.db2.gz WRHSUPYBXNDARS-WDEREUQCSA-N 1 0 313.379 1.274 20 5 DDBDRO COc1ccc(C[NH2+]C[C@H]2CCCN(C(C)=O)C2)cc1[N+](=O)[O-] ZINC000355419574 306799329 /nfs/dbraw/zinc/79/93/29/306799329.db2.gz LJQZCIRFZIFYED-CQSZACIVSA-N 1 0 321.377 1.952 20 5 DDBDRO O=C1CC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)[C@@H](C2CC2)N1 ZINC000376730593 302093231 /nfs/dbraw/zinc/09/32/31/302093231.db2.gz YRQNFTOGIHWRFR-UKRRQHHQSA-N 1 0 307.325 1.881 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1CN1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000377767979 302229302 /nfs/dbraw/zinc/22/93/02/302229302.db2.gz PCICNHQPGBMJJI-CHWSQXEVSA-N 1 0 306.366 1.862 20 5 DDBDRO C[C@@H]1C[C@H](C)N(C(=O)Cc2ccccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000397227587 302352942 /nfs/dbraw/zinc/35/29/42/302352942.db2.gz CSOWWNBTAPZNHD-MBNYWOFBSA-N 1 0 305.378 1.969 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[NH2+][C@@H](C)C1 ZINC000420334608 302383061 /nfs/dbraw/zinc/38/30/61/302383061.db2.gz JJPPRWWYHJOVPV-LBPRGKRZSA-N 1 0 306.366 1.526 20 5 DDBDRO CC(=O)N1CC[C@@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000515415900 302774847 /nfs/dbraw/zinc/77/48/47/302774847.db2.gz XQPIMSFEBNXDSF-GFCCVEGCSA-N 1 0 320.349 1.134 20 5 DDBDRO C[C@@H](C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])N(C)C1CC1 ZINC000517922108 302820215 /nfs/dbraw/zinc/82/02/15/302820215.db2.gz FGBIFWXECUZDIO-GXTWGEPZSA-N 1 0 323.393 1.407 20 5 DDBDRO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cn1)C[NH+]1CCCCC1 ZINC000531885474 303263642 /nfs/dbraw/zinc/26/36/42/303263642.db2.gz QWTMYDPTYQXVHX-GFCCVEGCSA-N 1 0 306.366 1.842 20 5 DDBDRO [NH3+]CCC(=O)NC[C@H]1CCCCN1Cc1ccccc1[N+](=O)[O-] ZINC000436068836 303373777 /nfs/dbraw/zinc/37/37/77/303373777.db2.gz XDBQYXRFMHKDRI-CQSZACIVSA-N 1 0 320.393 1.414 20 5 DDBDRO C[NH+](C)[C@H](CNC(=O)c1c[nH]nc1[N+](=O)[O-])c1ccccc1 ZINC000547751496 303551530 /nfs/dbraw/zinc/55/15/30/303551530.db2.gz AHZYDULATWWANB-GFCCVEGCSA-N 1 0 303.322 1.351 20 5 DDBDRO Cc1ccc(OCC[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000562450124 303863456 /nfs/dbraw/zinc/86/34/56/303863456.db2.gz MHLXRZGCJGYMGF-CQSZACIVSA-N 1 0 320.349 1.129 20 5 DDBDRO COC[C@H](O)C[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000563002400 303908925 /nfs/dbraw/zinc/90/89/25/303908925.db2.gz GCZBYPVLXHOKED-LLVKDONJSA-N 1 0 308.256 1.711 20 5 DDBDRO Nc1c(C(=O)N2CC[C@]3(CCC[C@@H]3[NH3+])C2)cc(F)cc1[N+](=O)[O-] ZINC000365087394 307058406 /nfs/dbraw/zinc/05/84/06/307058406.db2.gz CLRZBCLKIYNUAY-SWLSCSKDSA-N 1 0 322.340 1.660 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)c1 ZINC000365350934 307065586 /nfs/dbraw/zinc/06/55/86/307065586.db2.gz AMHMORPTJFAAIY-GXFFZTMASA-N 1 0 305.334 1.427 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000366304614 307070474 /nfs/dbraw/zinc/07/04/74/307070474.db2.gz ANBYSSWQTDZQJO-VHRBIJSZSA-N 1 0 317.345 1.559 20 5 DDBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)CNc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000371555459 307153352 /nfs/dbraw/zinc/15/33/52/307153352.db2.gz UJOFSJKOXGIUOC-WFASDCNBSA-N 1 0 318.377 1.559 20 5 DDBDRO O=C(CC[N@H+]1C[C@@H](O)C2(CC2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000372903862 307176002 /nfs/dbraw/zinc/17/60/02/307176002.db2.gz QGJHMGXZVAAMKW-CYBMUJFWSA-N 1 0 323.324 1.519 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CCN(c3ccc4ncc([N+](=O)[O-])n4n3)C[C@H]21 ZINC000375047433 307217863 /nfs/dbraw/zinc/21/78/63/307217863.db2.gz DDQQTRDWIAFFNO-GHMZBOCLSA-N 1 0 302.338 1.168 20 5 DDBDRO O=C(C[NH2+][C@@H]1CCO[C@@H]1C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000375440608 307226700 /nfs/dbraw/zinc/22/67/00/307226700.db2.gz YCTPYWFENONTTA-IUODEOHRSA-N 1 0 305.334 1.690 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CCN(c3ccc4ncc([N+](=O)[O-])n4n3)[C@@H]2C1 ZINC000378507647 307290535 /nfs/dbraw/zinc/29/05/35/307290535.db2.gz WPDYHAQXBHKEEU-GHMZBOCLSA-N 1 0 302.338 1.168 20 5 DDBDRO CNc1nc(C(=O)NC[C@H](C)[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000562893966 307947427 /nfs/dbraw/zinc/94/74/27/307947427.db2.gz PKFFUEUYNAMBAH-JTQLQIEISA-N 1 0 307.354 1.246 20 5 DDBDRO CC[C@H]1C[N@H+](C)CCN1C(=O)CCn1nc(C)c([N+](=O)[O-])c1C ZINC000567016853 308068598 /nfs/dbraw/zinc/06/85/98/308068598.db2.gz JAPAFODNMIZBCJ-ZDUSSCGKSA-N 1 0 323.397 1.351 20 5 DDBDRO CC[C@@H]1C[N@H+](C)CCN1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000567105344 308071095 /nfs/dbraw/zinc/07/10/95/308071095.db2.gz BQVPUARPGJKUJE-CYBMUJFWSA-N 1 0 320.393 1.868 20 5 DDBDRO CC[C@H]1C[N@H+](C)CCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000569805246 308149889 /nfs/dbraw/zinc/14/98/89/308149889.db2.gz QYIGVLBVDZLTKC-ZDUSSCGKSA-N 1 0 320.393 1.868 20 5 DDBDRO C[C@H]1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000572618559 308221013 /nfs/dbraw/zinc/22/10/13/308221013.db2.gz RFNIZIJBYLQYJO-AAEUAGOBSA-N 1 0 306.366 1.721 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H]2C[C@H]2c2ccc(F)cc2)c1 ZINC000576393052 308311371 /nfs/dbraw/zinc/31/13/71/308311371.db2.gz OINRJCWDFHXLGT-SOUVJXGZSA-N 1 0 320.324 1.437 20 5 DDBDRO CS(=O)(=O)NCCC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000578337496 308455236 /nfs/dbraw/zinc/45/52/36/308455236.db2.gz IJYXUWJAEIHALA-LBPRGKRZSA-N 1 0 313.379 1.111 20 5 DDBDRO CO[C@H](C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C1CC1 ZINC000581187211 308659966 /nfs/dbraw/zinc/65/99/66/308659966.db2.gz LSCFSQHHLQTDPK-CQSZACIVSA-N 1 0 306.366 1.537 20 5 DDBDRO CC1(C)C[NH2+]C[C@H]1NC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001120668327 782086005 /nfs/dbraw/zinc/08/60/05/782086005.db2.gz IHNTXRBHDUCLRE-CYBMUJFWSA-N 1 0 304.350 1.618 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCc2cccc(F)c2)c1 ZINC000386961041 325763323 /nfs/dbraw/zinc/76/33/23/325763323.db2.gz WBCZUKCTCOBFKD-CQSZACIVSA-N 1 0 308.313 1.124 20 5 DDBDRO CN(C)C(=O)CCC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000581555908 325875582 /nfs/dbraw/zinc/87/55/82/325875582.db2.gz BNVMPXLQWXXRCD-UHFFFAOYSA-N 1 0 309.370 1.297 20 5 DDBDRO C[C@@H]1[C@H](CO)CC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000488728933 484215273 /nfs/dbraw/zinc/21/52/73/484215273.db2.gz IVLIYSNHWQLVRT-MBNYWOFBSA-N 1 0 310.350 1.037 20 5 DDBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1CC[NH2+]C1 ZINC000422745863 534670962 /nfs/dbraw/zinc/67/09/62/534670962.db2.gz MZIOVLFJNZKNQB-SECBINFHSA-N 1 0 315.782 1.818 20 5 DDBDRO CC1(C)[C@H]([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)[C@H]2CCO[C@@H]21 ZINC000451473504 527869465 /nfs/dbraw/zinc/86/94/65/527869465.db2.gz WNOIRKOTCSUYDF-BNOWGMLFSA-N 1 0 307.350 1.160 20 5 DDBDRO CC[N@@H+]1CCC[C@H]1CNc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000821266280 599146624 /nfs/dbraw/zinc/14/66/24/599146624.db2.gz AHBYSYNQZJGTGY-VIFPVBQESA-N 1 0 318.341 1.066 20 5 DDBDRO O=[N+]([O-])c1cnc(NCCC[NH+]2CCCC2)c(-c2nn[nH]n2)c1 ZINC000823651711 599331013 /nfs/dbraw/zinc/33/10/13/599331013.db2.gz OEFKSUQZPDCPHM-UHFFFAOYSA-N 1 0 318.341 1.068 20 5 DDBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)OCCC[NH+]1CCCCC1 ZINC000747758413 700085336 /nfs/dbraw/zinc/08/53/36/700085336.db2.gz IHASWAQGVRPCBE-UHFFFAOYSA-N 1 0 323.349 1.176 20 5 DDBDRO COc1cc(C[NH2+]CCC[S@@](C)=O)c([N+](=O)[O-])cc1O ZINC000116918453 696669131 /nfs/dbraw/zinc/66/91/31/696669131.db2.gz UILLUPVYXOIJPL-FQEVSTJZSA-N 1 0 302.352 1.167 20 5 DDBDRO C[C@]12CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@@]1(C)C[N@H+](CC1CC1)C2 ZINC000982278731 697082156 /nfs/dbraw/zinc/08/21/56/697082156.db2.gz QGGJIFDWIINFOQ-XOUADPBQSA-N 1 0 307.394 1.232 20 5 DDBDRO Cc1cncc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c1 ZINC000983649648 697286340 /nfs/dbraw/zinc/28/63/40/697286340.db2.gz PXPWLEPOTFBKTL-NMFUWQPSSA-N 1 0 318.377 1.040 20 5 DDBDRO CCC[C@H]1CN(Cn2nccc2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000159834019 697312444 /nfs/dbraw/zinc/31/24/44/697312444.db2.gz KGDBIGRZSNJZPO-ZDUSSCGKSA-N 1 0 311.386 1.182 20 5 DDBDRO COC(=O)CC(C)(C)[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000178324684 697423735 /nfs/dbraw/zinc/42/37/35/697423735.db2.gz HGBHLDQFYOWDIX-UHFFFAOYSA-N 1 0 323.349 1.489 20 5 DDBDRO CC(C)CN(CC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000195135069 697732161 /nfs/dbraw/zinc/73/21/61/697732161.db2.gz LWCKSLINEXQEGL-UHFFFAOYSA-N 1 0 308.382 1.837 20 5 DDBDRO CCOC(=O)C1CC[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776271606 698089851 /nfs/dbraw/zinc/08/98/51/698089851.db2.gz HCIKIJBICODRML-OAHLLOKOSA-N 1 0 322.361 1.903 20 5 DDBDRO COC(=O)[C@@H](C)C[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000776582116 698121000 /nfs/dbraw/zinc/12/10/00/698121000.db2.gz QNUIPDIIELLOCW-NHYWBVRUSA-N 1 0 322.361 1.902 20 5 DDBDRO COCC1(CNC(=O)Nc2ccc([N+](=O)[O-])cc2)CC[NH2+]CC1 ZINC000261971168 698448067 /nfs/dbraw/zinc/44/80/67/698448067.db2.gz ZBYVMPGIXHRXPT-UHFFFAOYSA-N 1 0 322.365 1.733 20 5 DDBDRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000262026872 698451130 /nfs/dbraw/zinc/45/11/30/698451130.db2.gz RXSANMJQXBTPFS-WDEREUQCSA-N 1 0 309.391 1.883 20 5 DDBDRO Cc1nn(CN2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1[N+](=O)[O-] ZINC000779868150 698477082 /nfs/dbraw/zinc/47/70/82/698477082.db2.gz UHKBOYPRTOVWKG-CQSZACIVSA-N 1 0 307.398 1.721 20 5 DDBDRO O=[N+]([O-])c1cc(C[NH2+]CC[C@@H]2CCCS2(=O)=O)cs1 ZINC000714333853 699270530 /nfs/dbraw/zinc/27/05/30/699270530.db2.gz CRYHVUPIWRKBLH-JTQLQIEISA-N 1 0 304.393 1.713 20 5 DDBDRO C[N@@H+]1CC[C@H](CNC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000732060746 699545028 /nfs/dbraw/zinc/54/50/28/699545028.db2.gz SUGPUZJHEZENTE-LLVKDONJSA-N 1 0 317.349 1.012 20 5 DDBDRO COC(=O)c1cnc(NCC[N@@H+]2CCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000790773814 699596377 /nfs/dbraw/zinc/59/63/77/699596377.db2.gz ZAYJQKMHSCKZKK-SNVBAGLBSA-N 1 0 308.338 1.673 20 5 DDBDRO C[N@@H+]1CC[C@@]2(CCN(Cn3ncc4ccc([N+](=O)[O-])cc43)C2)C1 ZINC000793745386 699776066 /nfs/dbraw/zinc/77/60/66/699776066.db2.gz ODFUBEHFDMJXGN-MRXNPFEDSA-N 1 0 315.377 1.930 20 5 DDBDRO CC(C)[N@@H+]1CCO[C@H](COC(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000802138251 700371325 /nfs/dbraw/zinc/37/13/25/700371325.db2.gz CRZVQUCRFXPMLO-NSHDSACASA-N 1 0 311.338 1.199 20 5 DDBDRO CC(C)[N@@H+]1CCO[C@H](COC(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000802141598 700372663 /nfs/dbraw/zinc/37/26/63/700372663.db2.gz XPUHFYDNMJHTGY-AWEZNQCLSA-N 1 0 322.361 1.790 20 5 DDBDRO COc1cccc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)n1 ZINC000809735254 701684007 /nfs/dbraw/zinc/68/40/07/701684007.db2.gz XVEKZHRVNWBQJC-UHFFFAOYSA-N 1 0 302.334 1.964 20 5 DDBDRO CC[NH+](CC)CCS(=O)(=O)Oc1cc([N+](=O)[O-])ccc1C ZINC000810041500 701714897 /nfs/dbraw/zinc/71/48/97/701714897.db2.gz BZXQNDIUTGZTEO-UHFFFAOYSA-N 1 0 316.379 1.954 20 5 DDBDRO C[C@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839696359 701787816 /nfs/dbraw/zinc/78/78/16/701787816.db2.gz QRCPFOHZFWNPPX-NUEKZKHPSA-N 1 0 317.389 1.775 20 5 DDBDRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC000839759863 701814119 /nfs/dbraw/zinc/81/41/19/701814119.db2.gz DSWSKDCVFRFDCM-MGPQQGTHSA-N 1 0 307.350 1.079 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)O[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000810839421 701859919 /nfs/dbraw/zinc/85/99/19/701859919.db2.gz AYZLUZILNCPNHH-QWHCGFSZSA-N 1 0 322.365 1.660 20 5 DDBDRO C[N@@H+]1CC[C@H]2CN(C(=O)NCc3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000868062291 701920391 /nfs/dbraw/zinc/92/03/91/701920391.db2.gz KJWFUVRYWCCNCI-KBPBESRZSA-N 1 0 318.377 1.830 20 5 DDBDRO C[C@]1([NH3+])CCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000868075228 701927376 /nfs/dbraw/zinc/92/73/76/701927376.db2.gz FTOYDXGVNFWLGL-HNNXBMFYSA-N 1 0 302.334 1.499 20 5 DDBDRO C[N@@H+]1CC[C@H]2CN(C(=O)NCc3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000868160302 701970254 /nfs/dbraw/zinc/97/02/54/701970254.db2.gz DUDFEYCUOQJVJH-ZFWWWQNUSA-N 1 0 318.377 1.830 20 5 DDBDRO Cc1cc(N2CCC([NH+]3CCN(C)CC3)CC2)ncc1[N+](=O)[O-] ZINC000866213581 706650955 /nfs/dbraw/zinc/65/09/55/706650955.db2.gz XXMGIOJRRFHWGC-UHFFFAOYSA-N 1 0 319.409 1.514 20 5 DDBDRO C[C@H](CNS(=O)(=O)c1csc([N+](=O)[O-])c1)C[NH+](C)C ZINC000813730714 702407140 /nfs/dbraw/zinc/40/71/40/702407140.db2.gz ULDKURRZQQYNGQ-MRVPVSSYSA-N 1 0 307.397 1.132 20 5 DDBDRO COc1cc(NC(=O)[C@@H]2CC2[N+](=O)[O-])ccc1OCC[NH+](C)C ZINC000841467084 702459791 /nfs/dbraw/zinc/45/97/91/702459791.db2.gz JLGKMEQOKGXPRY-VXGBXAGGSA-N 1 0 323.349 1.239 20 5 DDBDRO CN(C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)[C@@H](C[NH3+])C1CC1 ZINC000818003765 702549974 /nfs/dbraw/zinc/54/99/74/702549974.db2.gz DTQZDGZKUSCNJH-AWEZNQCLSA-N 1 0 317.349 1.140 20 5 DDBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@]1(C)CCC(=O)N1 ZINC000866370275 706683270 /nfs/dbraw/zinc/68/32/70/706683270.db2.gz UKLAFXHASBFIMR-ZUZCIYMTSA-N 1 0 309.341 1.923 20 5 DDBDRO COc1ccc(CC(=O)N(C)C2CCC([NH3+])CC2)cc1[N+](=O)[O-] ZINC000818528710 702660644 /nfs/dbraw/zinc/66/06/44/702660644.db2.gz BJTCKFLNOVDLJP-UHFFFAOYSA-N 1 0 321.377 1.874 20 5 DDBDRO Cc1cc(S(=O)(=O)N[C@H](C)CCC[NH3+])cc([N+](=O)[O-])c1F ZINC000842877577 702786149 /nfs/dbraw/zinc/78/61/49/702786149.db2.gz FINOMAMOBQKAEW-SECBINFHSA-N 1 0 319.358 1.448 20 5 DDBDRO C[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H](O)C(F)(F)F ZINC000843059766 702810090 /nfs/dbraw/zinc/81/00/90/702810090.db2.gz NBEHKXIQRBRCBI-WHGOUJPWSA-N 1 0 308.256 1.530 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@H](CO)c2ccccc2)cc1 ZINC000843076992 702814519 /nfs/dbraw/zinc/81/45/19/702814519.db2.gz ONZQQLOOFFWLNX-NVXWUHKLSA-N 1 0 316.357 1.994 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+]C1(CO)CCCCCCC1 ZINC000879497520 706699756 /nfs/dbraw/zinc/69/97/56/706699756.db2.gz XYNZQOZMXOCMHC-UHFFFAOYSA-N 1 0 323.393 1.822 20 5 DDBDRO C[C@H](Cc1nc(-c2c([N+](=O)[O-])ncn2C)no1)[C@H]1CCC[NH2+]C1 ZINC000843223609 702845481 /nfs/dbraw/zinc/84/54/81/702845481.db2.gz SHHRJXPNGRLIQS-ZJUUUORDSA-N 1 0 320.353 1.557 20 5 DDBDRO Cc1[nH]nc(C(=O)N2CCCc3cc(C[NH3+])ccc32)c1[N+](=O)[O-] ZINC000843339902 702862306 /nfs/dbraw/zinc/86/23/06/702862306.db2.gz JOKQQEDGILYQAC-UHFFFAOYSA-N 1 0 315.333 1.678 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)cc1[N+](=O)[O-] ZINC000843453203 702885380 /nfs/dbraw/zinc/88/53/80/702885380.db2.gz CLIGZSCQTAEVSC-WCBMZHEXSA-N 1 0 322.321 1.621 20 5 DDBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000843483177 702890583 /nfs/dbraw/zinc/89/05/83/702890583.db2.gz QLDKIOPFCFFYQG-BWPRHRIFSA-N 1 0 313.716 1.264 20 5 DDBDRO Cc1c(C(=O)N[C@@H](C)C[C@H](C)[NH3+])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000843503039 702895885 /nfs/dbraw/zinc/89/58/85/702895885.db2.gz IUTKCCKBDTUADU-YUMQZZPRSA-N 1 0 310.310 1.667 20 5 DDBDRO CCO[C@H](CNC(=O)c1ccc(F)cc1[N+](=O)[O-])C[NH+](C)C ZINC000831737498 706766901 /nfs/dbraw/zinc/76/69/01/706766901.db2.gz HZRGWANYZIZWAO-LLVKDONJSA-N 1 0 313.329 1.430 20 5 DDBDRO CO[C@@H]1CC[C@@H]([NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000851716918 703835545 /nfs/dbraw/zinc/83/55/45/703835545.db2.gz OGOPZLSYAFUAGV-TZMCWYRMSA-N 1 0 306.366 1.679 20 5 DDBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)C[NH2+]C[C@H]1CCCO1)CC2 ZINC000818608471 703939122 /nfs/dbraw/zinc/93/91/22/703939122.db2.gz FBZZEODRXHJMHC-CYBMUJFWSA-N 1 0 319.361 1.561 20 5 DDBDRO C[C@H](NC(=O)N(C)CC1C[NH+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000852359457 704023912 /nfs/dbraw/zinc/02/39/12/704023912.db2.gz PXMDBZDYLVGQHL-NSHDSACASA-N 1 0 306.366 1.859 20 5 DDBDRO COc1ccc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)cn1 ZINC000818943935 704031475 /nfs/dbraw/zinc/03/14/75/704031475.db2.gz CEISERXUTDTOKJ-AWEZNQCLSA-N 1 0 303.318 1.822 20 5 DDBDRO O=C1OCCN1[C@H]1CC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000852436527 704048155 /nfs/dbraw/zinc/04/81/55/704048155.db2.gz INPYGQXUUOINRZ-UONOGXRCSA-N 1 0 321.333 1.155 20 5 DDBDRO CS(=O)(=O)CC[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000819091257 704069043 /nfs/dbraw/zinc/06/90/43/704069043.db2.gz CMIHDGVASKCDEA-UHFFFAOYSA-N 1 0 300.380 1.552 20 5 DDBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000820504304 704291613 /nfs/dbraw/zinc/29/16/13/704291613.db2.gz SXRIVKNIPZKBNM-UFBFGSQYSA-N 1 0 310.329 1.481 20 5 DDBDRO CN(C)c1cc(F)c(C(=O)NCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000822236823 704896535 /nfs/dbraw/zinc/89/65/35/704896535.db2.gz RYZPLOAUIFAKDX-UHFFFAOYSA-N 1 0 324.356 1.626 20 5 DDBDRO COC(=O)c1cc(NC(=O)N(C)C[C@H](C)[NH3+])c(C)c([N+](=O)[O-])c1 ZINC000859681416 704972375 /nfs/dbraw/zinc/97/23/75/704972375.db2.gz LZNWZTHXNJJRNP-QMMMGPOBSA-N 1 0 324.337 1.501 20 5 DDBDRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)COc1ccccc1[N+](=O)[O-] ZINC000874851034 705204153 /nfs/dbraw/zinc/20/41/53/705204153.db2.gz ZCGGRJPAIMYLEC-CHWSQXEVSA-N 1 0 319.361 1.669 20 5 DDBDRO C[N@@H+]1CC[C@](O)(CNC(=O)c2cccc([N+](=O)[O-])c2Cl)C1 ZINC000860826878 705293500 /nfs/dbraw/zinc/29/35/00/705293500.db2.gz PTVPFQICQXKUKV-ZDUSSCGKSA-N 1 0 313.741 1.045 20 5 DDBDRO CC(C)[NH+]1CCC(NC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000823938016 705341572 /nfs/dbraw/zinc/34/15/72/705341572.db2.gz PPFJACIZGWMBET-HNNXBMFYSA-N 1 0 321.377 1.617 20 5 DDBDRO O=C(N[C@H]1C[C@@H]([NH+]2CCCC2)C1)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000824112237 705377707 /nfs/dbraw/zinc/37/77/07/705377707.db2.gz QBROOKMOTXULKI-VHDGCEQUSA-N 1 0 319.361 1.371 20 5 DDBDRO Cc1ccc(CNC(=O)NCC2=CC[N@H+](C)CC2)cc1[N+](=O)[O-] ZINC000876169422 705646976 /nfs/dbraw/zinc/64/69/76/705646976.db2.gz WNANJSALLYBQKN-UHFFFAOYSA-N 1 0 318.377 1.964 20 5 DDBDRO C[NH+](C)C[C@@H]1CCCN1C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825614969 705703543 /nfs/dbraw/zinc/70/35/43/705703543.db2.gz DPUAOKYVGZOSFW-UONOGXRCSA-N 1 0 307.350 1.181 20 5 DDBDRO C[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825699415 705717596 /nfs/dbraw/zinc/71/75/96/705717596.db2.gz BGBALPRMKRPKPP-CABCVRRESA-N 1 0 321.377 1.571 20 5 DDBDRO O=C(/C=C\[C@H]1CCC[NH2+]C1)NCCc1ccccc1[N+](=O)[O-] ZINC000876681662 705817214 /nfs/dbraw/zinc/81/72/14/705817214.db2.gz XEBXJSNCTGTHNM-MEJMFZKBSA-N 1 0 303.362 1.809 20 5 DDBDRO C[C@H]([NH3+])CN(C)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000863566015 705959574 /nfs/dbraw/zinc/95/95/74/705959574.db2.gz AAPUYMBQICOVBO-IUCAKERBSA-N 1 0 314.773 1.854 20 5 DDBDRO C[C@H]1CC[C@H](NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)C[NH2+]1 ZINC000877050197 705972117 /nfs/dbraw/zinc/97/21/17/705972117.db2.gz YZUSFMMQAKLMRG-UWVGGRQHSA-N 1 0 311.313 1.369 20 5 DDBDRO C[C@@H](C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)CN1CCOCC1 ZINC000877055299 705973079 /nfs/dbraw/zinc/97/30/79/705973079.db2.gz BEOLRHTYELKWMH-HSBZDZAISA-N 1 0 323.397 1.053 20 5 DDBDRO C[C@H](C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)CN1CCOCC1 ZINC000877055302 705973371 /nfs/dbraw/zinc/97/33/71/705973371.db2.gz BEOLRHTYELKWMH-IYXRBSQSSA-N 1 0 323.397 1.053 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)COc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000827363506 705985340 /nfs/dbraw/zinc/98/53/40/705985340.db2.gz BBEAWCZSVYSKJX-DOMZBBRYSA-N 1 0 319.361 1.526 20 5 DDBDRO CS[C@@H]1CN(C(=O)CCC(C)(C)[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000827426502 705997771 /nfs/dbraw/zinc/99/77/71/705997771.db2.gz SAWUMMKBIUZZTE-GHMZBOCLSA-N 1 0 303.428 1.326 20 5 DDBDRO C[S@@](=O)C1(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CCC1 ZINC000877496564 706123413 /nfs/dbraw/zinc/12/34/13/706123413.db2.gz VCRKGZVXPORLTE-CNWXXMQWSA-N 1 0 312.395 1.386 20 5 DDBDRO C[C@H](Cc1cnn(C)c1)[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877570374 706145564 /nfs/dbraw/zinc/14/55/64/706145564.db2.gz HIVSADKABIRDRK-QFWMXSHPSA-N 1 0 304.354 1.449 20 5 DDBDRO COc1ccc(CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2CO)cc1[N+](=O)[O-] ZINC000880071183 706870230 /nfs/dbraw/zinc/87/02/30/706870230.db2.gz WAHSLYZSWVELPM-UONOGXRCSA-N 1 0 321.377 1.244 20 5 DDBDRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000880134675 706887130 /nfs/dbraw/zinc/88/71/30/706887130.db2.gz OIYAJPRLQNJLJW-HUUCEWRRSA-N 1 0 318.377 1.702 20 5 DDBDRO CO[C@@H]1COCC[C@@H]1[N@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000880433023 706974521 /nfs/dbraw/zinc/97/45/21/706974521.db2.gz SSEABQYWVCCHAV-SOUVJXGZSA-N 1 0 310.350 1.364 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1-c1nc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)no1 ZINC000871794390 707207209 /nfs/dbraw/zinc/20/72/09/707207209.db2.gz RWUZCIYARNSQCO-PBINXNQUSA-N 1 0 303.322 1.981 20 5 DDBDRO C[NH+](C)CCc1cn(C[C@@H](O)c2cccc([N+](=O)[O-])c2)nn1 ZINC000881410538 707243914 /nfs/dbraw/zinc/24/39/14/707243914.db2.gz CZTWOQGJHCUMJT-CQSZACIVSA-N 1 0 305.338 1.024 20 5 DDBDRO CC1(C)CO[C@@H](C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000872243225 707345693 /nfs/dbraw/zinc/34/56/93/707345693.db2.gz LOOLICXTEWCCHI-DZGCQCFKSA-N 1 0 324.377 1.739 20 5 DDBDRO COc1ccc(CC(=O)N2CC[NH2+]CCC2(C)C)cc1[N+](=O)[O-] ZINC000872295016 707368910 /nfs/dbraw/zinc/36/89/10/707368910.db2.gz KTHYJYIUYTZGEH-UHFFFAOYSA-N 1 0 321.377 1.746 20 5 DDBDRO CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000882478847 707649630 /nfs/dbraw/zinc/64/96/30/707649630.db2.gz GXFJHHPTFRUOPC-ZDUSSCGKSA-N 1 0 318.377 1.993 20 5 DDBDRO O=[N+]([O-])c1c(F)nccc1N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000882550275 707690806 /nfs/dbraw/zinc/69/08/06/707690806.db2.gz UBNHLIUOBNYDLI-GFCCVEGCSA-N 1 0 324.356 1.820 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC(=O)N1CCOCC1 ZINC000873100781 707732695 /nfs/dbraw/zinc/73/26/95/707732695.db2.gz DRKCMCANHWEZOA-UHFFFAOYSA-N 1 0 307.350 1.160 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H]1CCc2nnnn2CC1 ZINC000873131994 707742975 /nfs/dbraw/zinc/74/29/75/707742975.db2.gz BZGJSNINDYGKOF-GFCCVEGCSA-N 1 0 316.365 1.693 20 5 DDBDRO COc1ccc(NC(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)cc1[N+](=O)[O-] ZINC000873317479 707809521 /nfs/dbraw/zinc/80/95/21/707809521.db2.gz OFJRVOZEVXIPIH-ZUZCIYMTSA-N 1 0 320.349 1.677 20 5 DDBDRO CCN1CCC[C@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C1=O ZINC000896729441 708133774 /nfs/dbraw/zinc/13/37/74/708133774.db2.gz PHSGARJYOVIZBA-XIVSLSHWSA-N 1 0 307.354 1.095 20 5 DDBDRO Cc1cc(N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)ncc1[N+](=O)[O-] ZINC000897220416 708258765 /nfs/dbraw/zinc/25/87/65/708258765.db2.gz AYBTWJRBMLILOM-OLZOCXBDSA-N 1 0 306.366 1.334 20 5 DDBDRO C[C@H](C[NH2+]C1CC(S(C)(=O)=O)C1)c1ccccc1[N+](=O)[O-] ZINC000897459947 708338361 /nfs/dbraw/zinc/33/83/61/708338361.db2.gz PPECSSOMQWQFDR-VOMCLLRMSA-N 1 0 312.391 1.864 20 5 DDBDRO O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)c1ccc([N+](=O)[O-])o1 ZINC000885854670 708639776 /nfs/dbraw/zinc/63/97/76/708639776.db2.gz BGFAUJCAMCSXCK-LLVKDONJSA-N 1 0 309.322 1.171 20 5 DDBDRO O=C([C@@H]1CCC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1)N1CCCC1 ZINC000886006210 708680536 /nfs/dbraw/zinc/68/05/36/708680536.db2.gz OPRCKTIAHXVMCG-CQSZACIVSA-N 1 0 318.377 1.824 20 5 DDBDRO COCCN(Cc1cccnc1[N+](=O)[O-])CC1CC[NH+](C)CC1 ZINC000886303703 708738875 /nfs/dbraw/zinc/73/88/75/708738875.db2.gz DHSDLPSYQBXAQS-UHFFFAOYSA-N 1 0 322.409 1.780 20 5 DDBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCN1CCNC1=O ZINC000886747352 708834398 /nfs/dbraw/zinc/83/43/98/708834398.db2.gz REYLIFPVGKKXQR-JTQLQIEISA-N 1 0 324.406 1.993 20 5 DDBDRO C[N@@H+]1C[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])c(F)cc3N)C[C@]2(C)C1 ZINC000887927826 709166882 /nfs/dbraw/zinc/16/68/82/709166882.db2.gz KTUNWOAKFDHYNZ-PSLIRLAXSA-N 1 0 322.340 1.340 20 5 DDBDRO O=C(C1CN([C@H]2CCOC2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000900099692 709288708 /nfs/dbraw/zinc/28/87/08/709288708.db2.gz TUUCTOQLYRSREQ-AWEZNQCLSA-N 1 0 317.345 1.205 20 5 DDBDRO Nc1c(Cl)cc(C(=O)N2CC[C@H]([NH+]3CCC3)C2)cc1[N+](=O)[O-] ZINC000912901672 713117865 /nfs/dbraw/zinc/11/78/65/713117865.db2.gz BNYLZAHZQRLHFK-JTQLQIEISA-N 1 0 324.768 1.751 20 5 DDBDRO CNc1ccc(C(=O)N2CC[C@@H]([NH+]3CCC3)C2)cc1[N+](=O)[O-] ZINC000912926086 713126969 /nfs/dbraw/zinc/12/69/69/713126969.db2.gz YUNWSWYMYVMUFA-GFCCVEGCSA-N 1 0 304.350 1.557 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000891814817 710301223 /nfs/dbraw/zinc/30/12/23/710301223.db2.gz JKWXGQVKFMGXKB-LBPRGKRZSA-N 1 0 309.370 1.384 20 5 DDBDRO Cc1c(CNC(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)cccc1[N+](=O)[O-] ZINC000891850008 710308936 /nfs/dbraw/zinc/30/89/36/710308936.db2.gz WUQVBYXZYGLGFJ-HIFRSBDPSA-N 1 0 318.377 1.939 20 5 DDBDRO CCOC(=O)c1cc([N+](=O)[O-])c(N2C[C@H]3C[NH2+]C[C@@H]3C2)cc1C ZINC000891929717 710330413 /nfs/dbraw/zinc/33/04/13/710330413.db2.gz QDFRHNNANMPGEW-VXGBXAGGSA-N 1 0 319.361 1.736 20 5 DDBDRO COc1c(O)ccc(C[N@@H+]2CC[C@@]3(CCOC3)C2)c1[N+](=O)[O-] ZINC000892176466 710388538 /nfs/dbraw/zinc/38/85/38/710388538.db2.gz VHVFXTUVEAZCGO-OAHLLOKOSA-N 1 0 308.334 1.921 20 5 DDBDRO CC[NH+]1CCC(NCc2ccc(O)c(OC)c2[N+](=O)[O-])CC1 ZINC000892433162 710436136 /nfs/dbraw/zinc/43/61/36/710436136.db2.gz ZHVTUKAHSBWQQU-UHFFFAOYSA-N 1 0 309.366 1.883 20 5 DDBDRO Cc1ccc(CNC(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)cc1[N+](=O)[O-] ZINC000892537006 710454168 /nfs/dbraw/zinc/45/41/68/710454168.db2.gz NGVMIBAZAACRJT-ZIAGYGMSSA-N 1 0 318.377 1.939 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@@]3(C)C[NH+](C)C[C@]3(C)C2)n1 ZINC000913280525 713190318 /nfs/dbraw/zinc/19/03/18/713190318.db2.gz DUQRVZDKMGLZIT-HUUCEWRRSA-N 1 0 321.381 1.225 20 5 DDBDRO C[NH+]1C[C@@]2(C)CN(C(=O)c3ccc(N)c([N+](=O)[O-])c3)C[C@]2(C)C1 ZINC000913295177 713193819 /nfs/dbraw/zinc/19/38/19/713193819.db2.gz RMEYXKMRQMEBFY-HOTGVXAUSA-N 1 0 318.377 1.591 20 5 DDBDRO C[N@@H+]1C[C@@]2(C)CN(C(=O)c3ccc(N)c([N+](=O)[O-])c3)C[C@@]2(C)C1 ZINC000913295179 713193872 /nfs/dbraw/zinc/19/38/72/713193872.db2.gz RMEYXKMRQMEBFY-IYBDPMFKSA-N 1 0 318.377 1.591 20 5 DDBDRO COC(=O)c1cc(C)nc(N2CC[C@H]3C[N@H+](C)C[C@H]32)c1[N+](=O)[O-] ZINC000893942026 710894576 /nfs/dbraw/zinc/89/45/76/710894576.db2.gz YQFCSHAPEIVHQU-CMPLNLGQSA-N 1 0 320.349 1.225 20 5 DDBDRO COC(=O)[C@H]1[C@@H](C[NH2+]CCc2ccc([N+](=O)[O-])cc2)C1(F)F ZINC000894242415 711031740 /nfs/dbraw/zinc/03/17/40/711031740.db2.gz ZOSGHIPTEIZIKD-VXGBXAGGSA-N 1 0 314.288 1.781 20 5 DDBDRO O=C(c1ccc([N+](=O)[O-])s1)N1CCN(C[C@H]2CCC[NH2+]2)CC1 ZINC000903431057 711123768 /nfs/dbraw/zinc/12/37/68/711123768.db2.gz KUUOKUNAWAGDET-LLVKDONJSA-N 1 0 324.406 1.166 20 5 DDBDRO C[NH+](C)C[C@]1(O)CCN(c2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000895010866 711366612 /nfs/dbraw/zinc/36/66/12/711366612.db2.gz WYYWPAURWJJPDW-CYBMUJFWSA-N 1 0 323.378 1.102 20 5 DDBDRO COc1c(O)ccc(C[N@@H+]2C[C@H]3COC[C@]3(C)C2)c1[N+](=O)[O-] ZINC000895386249 711500139 /nfs/dbraw/zinc/50/01/39/711500139.db2.gz PIUCGUBEOSRVSC-NHYWBVRUSA-N 1 0 308.334 1.777 20 5 DDBDRO Cc1ccc(C[NH2+][C@@H](C)[C@@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000895832356 711620132 /nfs/dbraw/zinc/62/01/32/711620132.db2.gz GFCAZYUHWCIHIK-WCQYABFASA-N 1 0 312.391 1.816 20 5 DDBDRO Nc1ccc([N+](=O)[O-])c(NC[C@@H]2CC[N@@H+]2C2CCOCC2)c1 ZINC000896524902 711738106 /nfs/dbraw/zinc/73/81/06/711738106.db2.gz XPDYWZYCPMKSCQ-ZDUSSCGKSA-N 1 0 306.366 1.842 20 5 DDBDRO O=[N+]([O-])CC[NH2+]C[C@@H](O)c1cc(Cl)c2c(c1)OCCO2 ZINC000905355738 712013100 /nfs/dbraw/zinc/01/31/00/712013100.db2.gz ZHOCVBCELJXILX-SNVBAGLBSA-N 1 0 302.714 1.011 20 5 DDBDRO O=C1C[C@@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CN1CC1CC1 ZINC000905448189 712039576 /nfs/dbraw/zinc/03/95/76/712039576.db2.gz AKRYLCRVSQPVDO-HIFRSBDPSA-N 1 0 319.361 1.229 20 5 DDBDRO COC(=O)/C=C\c1ccc(NC[C@H](O)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000915213770 713412883 /nfs/dbraw/zinc/41/28/83/713412883.db2.gz NDYFTWGVMMJXBI-HWPRWLFBSA-N 1 0 323.349 1.115 20 5 DDBDRO Cc1c(C[NH2+]CCCN(C)S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000917137737 713484555 /nfs/dbraw/zinc/48/45/55/713484555.db2.gz YKZOMDVBOXSTTI-UHFFFAOYSA-N 1 0 315.395 1.274 20 5 DDBDRO C[N@@H+]1CCCN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000929224037 713570628 /nfs/dbraw/zinc/57/06/28/713570628.db2.gz HERJQKIVLBGACK-UHFFFAOYSA-N 1 0 309.341 1.831 20 5 DDBDRO C[C@H]([NH2+]CC(=O)N1CCOC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000930207749 713778003 /nfs/dbraw/zinc/77/80/03/713778003.db2.gz DKKGSLUCRQDINM-LBPRGKRZSA-N 1 0 321.377 1.883 20 5 DDBDRO O=[N+]([O-])CC[NH2+][C@@H]1CN(CC(F)(F)F)C[C@H]1c1ccccc1 ZINC000930667294 713890856 /nfs/dbraw/zinc/89/08/56/713890856.db2.gz PVDQJWGEEFRBQZ-QWHCGFSZSA-N 1 0 317.311 1.883 20 5 DDBDRO O=[N+]([O-])c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)S3(=O)=O)cc1 ZINC000922852997 714166935 /nfs/dbraw/zinc/16/69/35/714166935.db2.gz YGSUVVPIYCBBSS-QXMXGUDHSA-N 1 0 310.375 1.793 20 5 DDBDRO C[C@@H]1[C@H](C)[NH2+]CCN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000923345590 714321694 /nfs/dbraw/zinc/32/16/94/714321694.db2.gz LVNUDUDVOFTMLV-XQQFMLRXSA-N 1 0 309.366 1.017 20 5 DDBDRO O=[N+]([O-])c1ccc(Cl)c(CN2CCC[C@H]([NH2+]CCO)C2)c1 ZINC000923406154 714345332 /nfs/dbraw/zinc/34/53/32/714345332.db2.gz CFWSJRPUMYYBSO-LBPRGKRZSA-N 1 0 313.785 1.795 20 5 DDBDRO CCN(C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CC[NH2+]C1 ZINC000923426611 714352334 /nfs/dbraw/zinc/35/23/34/714352334.db2.gz UDVIGJDITSEODB-UONOGXRCSA-N 1 0 309.366 1.018 20 5 DDBDRO C[C@@H]1CN(C)C[C@@H](c2nc(Cc3ccccc3[N+](=O)[O-])no2)O1 ZINC000923761575 714465519 /nfs/dbraw/zinc/46/55/19/714465519.db2.gz SCDRJEYGDDFERZ-MFKMUULPSA-N 1 0 318.333 1.960 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@]23C[C@H]2COC32CCC2)c1 ZINC000933389406 714580338 /nfs/dbraw/zinc/58/03/38/714580338.db2.gz HAWQATDEHPBLQH-JGGQBBKZSA-N 1 0 304.346 1.929 20 5 DDBDRO C[N@@H+]1C[C@@H](O)C[C@@H]1CNC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000924981033 714714560 /nfs/dbraw/zinc/71/45/60/714714560.db2.gz VICCXHNABMJEMI-BDAKNGLRSA-N 1 0 313.741 1.043 20 5 DDBDRO Cc1cc(Cl)nc(N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)c1[N+](=O)[O-] ZINC001164665844 719385017 /nfs/dbraw/zinc/38/50/17/719385017.db2.gz IWTBKWUDDFDAPD-ZJUUUORDSA-N 1 0 312.757 1.471 20 5 DDBDRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1cccc([N+](=O)[O-])n1 ZINC001164932528 721853694 /nfs/dbraw/zinc/85/36/94/721853694.db2.gz YQVAGGKZVBCUMK-QWHCGFSZSA-N 1 0 305.382 1.204 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N1CCC[C@H]([NH+](C)C)C1 ZINC001165037720 721886784 /nfs/dbraw/zinc/88/67/84/721886784.db2.gz ZWALGRUKCQDSFA-JTQLQIEISA-N 1 0 308.338 1.307 20 5 DDBDRO Cc1ccnc(N2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)c1[N+](=O)[O-] ZINC001164965796 722068943 /nfs/dbraw/zinc/06/89/43/722068943.db2.gz NMSCYYQRDQGQQU-OKILXGFUSA-N 1 0 318.377 1.598 20 5 DDBDRO COCc1cc([N+](=O)[O-])ccc1N[C@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC001120873812 782201193 /nfs/dbraw/zinc/20/11/93/782201193.db2.gz GYEXGHRHKQUKQF-WBMJQRKESA-N 1 0 322.409 1.787 20 5 DDBDRO COc1c([N+](=O)[O-])cc(Cl)c(C)c1-n1nnc(CC[NH3+])n1 ZINC001167792083 738638270 /nfs/dbraw/zinc/63/82/70/738638270.db2.gz UQNUXKWDYINAMO-UHFFFAOYSA-N 1 0 312.717 1.042 20 5 DDBDRO [NH3+]Cc1cnc2c(ccn2-c2c[n+]([O-])c(Cl)cc2[N+](=O)[O-])c1 ZINC001167304842 733115291 /nfs/dbraw/zinc/11/52/91/733115291.db2.gz AFQVRBHBUBEVKY-UHFFFAOYSA-N 1 0 319.708 1.679 20 5 DDBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)c1ccn[nH]1 ZINC001021857586 733622536 /nfs/dbraw/zinc/62/25/36/733622536.db2.gz WPZRKQGWHXPYBG-TXEJJXNPSA-N 1 0 315.333 1.369 20 5 DDBDRO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cc(F)cc([N+](=O)[O-])c3)[C@@H]2C1 ZINC001121199292 782406186 /nfs/dbraw/zinc/40/61/86/782406186.db2.gz NWIVISKYVGODAB-CUOATXAZSA-N 1 0 307.325 1.804 20 5 DDBDRO COC(=O)[C@@H](CCC[NH3+])Nc1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC001167899421 739209996 /nfs/dbraw/zinc/20/99/96/739209996.db2.gz LQJXOENZKBCJNR-LLVKDONJSA-N 1 0 311.338 1.604 20 5 DDBDRO COC(=O)[C@@H](CCC[NH3+])Nc1ccnc2c1cccc2[N+](=O)[O-] ZINC001167900874 739225663 /nfs/dbraw/zinc/22/56/63/739225663.db2.gz KTTCKYMFRNZUHJ-GFCCVEGCSA-N 1 0 318.333 1.835 20 5 DDBDRO CN(CCCN(C)c1ccccc1[N+](=O)[O-])C(=O)CC[NH+](C)C ZINC001112165423 740653487 /nfs/dbraw/zinc/65/34/87/740653487.db2.gz YZOBXYFLKBJQID-UHFFFAOYSA-N 1 0 322.409 1.831 20 5 DDBDRO Cn1[nH]c(=O)c2c1C[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC001196952428 747018045 /nfs/dbraw/zinc/01/80/45/747018045.db2.gz HDTLOXMREJVLPU-CQSZACIVSA-N 1 0 318.333 1.126 20 5 DDBDRO CC[N@H+](CCC(=O)NC)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001198362459 747464144 /nfs/dbraw/zinc/46/41/44/747464144.db2.gz GATRMTNVZVDJGO-NSHDSACASA-N 1 0 322.365 1.380 20 5 DDBDRO Cc1cccnc1[C@H](C)[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC001198640498 747559823 /nfs/dbraw/zinc/55/98/23/747559823.db2.gz DIPKPHGZUVWYEO-LBPRGKRZSA-N 1 0 302.334 1.811 20 5 DDBDRO Cc1cnc(NC/C=C/CNC(=O)CC[NH+](C)C)c([N+](=O)[O-])c1 ZINC001107489577 750045113 /nfs/dbraw/zinc/04/51/13/750045113.db2.gz DSFGAEPNMPODDB-SNAWJCMRSA-N 1 0 321.381 1.334 20 5 DDBDRO CC(=O)NCC[NH+]1CCC(Nc2nc(C)ccc2[N+](=O)[O-])CC1 ZINC001111309756 750444412 /nfs/dbraw/zinc/44/44/12/750444412.db2.gz YQWXIXISVGZTON-UHFFFAOYSA-N 1 0 321.381 1.311 20 5 DDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(C[NH2+]Cc2cncs2)CC1 ZINC000997770943 751268437 /nfs/dbraw/zinc/26/84/37/751268437.db2.gz CVQRRTPOPPAQDM-CHWSQXEVSA-N 1 0 324.406 1.137 20 5 DDBDRO C[NH+](C)[C@H]1CCCC[C@@H]1Nc1cc([N+](=O)[O-])c2nncn2c1 ZINC001168601547 751303641 /nfs/dbraw/zinc/30/36/41/751303641.db2.gz UDJVAUGETHBTBU-RYUDHWBXSA-N 1 0 304.354 1.922 20 5 DDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2cn(CC(F)(F)F)cn2)C1 ZINC001168998276 762170552 /nfs/dbraw/zinc/17/05/52/762170552.db2.gz KTHYMDCNTVELMY-UWVGGRQHSA-N 1 0 306.288 1.980 20 5 DDBDRO CN1C(=O)COc2ccc(C[NH2+][C@H]3CC[C@@H](C[N+](=O)[O-])C3)cc21 ZINC001169002245 762172671 /nfs/dbraw/zinc/17/26/71/762172671.db2.gz JRISJXWIOZIGRJ-OLZOCXBDSA-N 1 0 319.361 1.577 20 5 DDBDRO [NH2+]=C(N[C@H]1CC[C@H](C[N+](=O)[O-])C1)c1cnc2ccc(F)cn21 ZINC001169003056 762173894 /nfs/dbraw/zinc/17/38/94/762173894.db2.gz MQCBIISIJJWBHE-ONGXEEELSA-N 1 0 305.313 1.834 20 5 DDBDRO CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169006940 762174726 /nfs/dbraw/zinc/17/47/26/762174726.db2.gz KKRMMQRDUFVXAD-CHWSQXEVSA-N 1 0 313.398 1.985 20 5 DDBDRO C[N@H+](CCNC(=O)OC(C)(C)C)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169006727 762174873 /nfs/dbraw/zinc/17/48/73/762174873.db2.gz JFUJKXQMEJKKLJ-NWDGAFQWSA-N 1 0 301.387 1.888 20 5 DDBDRO CC(C)(C)OC(=O)NCC1C[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169011061 762177850 /nfs/dbraw/zinc/17/78/50/762177850.db2.gz HWPPIQYOBBMWGH-WCQYABFASA-N 1 0 313.398 1.888 20 5 DDBDRO Cc1cnc(C[NH3+])n1-c1cc([N+](=O)[O-])cc(Br)n1 ZINC001169027749 762184360 /nfs/dbraw/zinc/18/43/60/762184360.db2.gz DUFSRORXUNYJMZ-UHFFFAOYSA-N 1 0 312.127 1.705 20 5 DDBDRO Cc1cnc(N2CC[NH+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)nc1 ZINC001169048644 762205996 /nfs/dbraw/zinc/20/59/96/762205996.db2.gz AGPCUPOTNFPNKJ-UONOGXRCSA-N 1 0 305.382 1.352 20 5 DDBDRO Cc1cc(N2CC[NH+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)ncn1 ZINC001169054952 762209906 /nfs/dbraw/zinc/20/99/06/762209906.db2.gz OMASTKBHHPMCCO-KGLIPLIRSA-N 1 0 305.382 1.352 20 5 DDBDRO C[C@@H]([NH3+])c1ccn(-c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])n1 ZINC001169236837 762301304 /nfs/dbraw/zinc/30/13/04/762301304.db2.gz HXVVESGTWCQGDZ-MRVPVSSYSA-N 1 0 310.335 1.204 20 5 DDBDRO Cc1cc(N[C@H]2C[C@@H](NC(=O)CC[NH+](C)C)C2)ncc1[N+](=O)[O-] ZINC001097251500 757035405 /nfs/dbraw/zinc/03/54/05/757035405.db2.gz DKEISBFIZUXQGE-TXEJJXNPSA-N 1 0 321.381 1.309 20 5 DDBDRO COc1ccnc(N2CCCc3ccc(C[NH3+])nc32)c1[N+](=O)[O-] ZINC001169585007 762544927 /nfs/dbraw/zinc/54/49/27/762544927.db2.gz WPGCXOAJJFZASK-UHFFFAOYSA-N 1 0 315.333 1.936 20 5 DDBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)c1ccn[nH]1 ZINC001019999186 760403710 /nfs/dbraw/zinc/40/37/10/760403710.db2.gz FMEKVYDVUYOAHV-HAQNSBGRSA-N 1 0 315.333 1.369 20 5 DDBDRO COc1cccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c1 ZINC001020138886 760612992 /nfs/dbraw/zinc/61/29/92/760612992.db2.gz GNULRKCVNQEIFE-QHSBEEBCSA-N 1 0 319.361 1.097 20 5 DDBDRO O=C(NC[C@H]1C[C@H]([NH2+]Cc2cccc(F)c2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001086363191 761492859 /nfs/dbraw/zinc/49/28/59/761492859.db2.gz GYYHEMQMAVEMDK-NMFUWQPSSA-N 1 0 321.352 1.475 20 5 DDBDRO CCOC(=O)c1ccc(NC[C@@H]2COCC[NH2+]2)c([N+](=O)[O-])c1 ZINC001170045524 764371369 /nfs/dbraw/zinc/37/13/69/764371369.db2.gz VNIOTJOCXNCFRV-LLVKDONJSA-N 1 0 309.322 1.172 20 5 DDBDRO CCN(CCCNC(=O)CC[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC001095955865 765072559 /nfs/dbraw/zinc/07/25/59/765072559.db2.gz BEGUHHDZBMSLLK-UHFFFAOYSA-N 1 0 322.409 1.879 20 5 DDBDRO COc1ccc(C[C@@H](C)[NH2+][C@@H]2CCOC[C@H]2O)c([N+](=O)[O-])c1 ZINC001170309957 766259569 /nfs/dbraw/zinc/25/95/69/766259569.db2.gz UOAOIQQDAPOIGZ-WDBKCZKBSA-N 1 0 310.350 1.274 20 5 DDBDRO Cc1ccc2c(ccnc2N[C@@H]2C[NH2+]C[C@@H]2CO)c1[N+](=O)[O-] ZINC001170777007 771206116 /nfs/dbraw/zinc/20/61/16/771206116.db2.gz QHEYDEXLXFNXBJ-ZWNOBZJWSA-N 1 0 302.334 1.444 20 5 DDBDRO CCOC(=O)CN(CC[NH3+])c1ccc([N+](=O)[O-])c2cnccc21 ZINC001170993815 772040970 /nfs/dbraw/zinc/04/09/70/772040970.db2.gz ADUWMGXTIBQFTP-UHFFFAOYSA-N 1 0 318.333 1.471 20 5 DDBDRO O=[N+]([O-])c1cc[n+]([O-])c(N[C@@H]2CC[NH2+]C[C@H]2C(F)(F)F)c1 ZINC001160739666 772687146 /nfs/dbraw/zinc/68/71/46/772687146.db2.gz XPCCMULLYCNVJL-RKDXNWHRSA-N 1 0 306.244 1.181 20 5 DDBDRO COCCC(C)(C)C(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001146223458 772821303 /nfs/dbraw/zinc/82/13/03/772821303.db2.gz XXGZDYXREWJMJI-UHFFFAOYSA-N 1 0 323.393 1.863 20 5 DDBDRO CC[N@H+](C)CCC(=O)NCCNc1ccc([N+](=O)[O-])c(C)n1 ZINC001093840556 775125927 /nfs/dbraw/zinc/12/59/27/775125927.db2.gz MUITXOLJWBGNGF-UHFFFAOYSA-N 1 0 309.370 1.168 20 5 DDBDRO Cc1cc([N+](=O)[O-])cnc1NCCNC(=O)C1([NH+](C)C)CCC1 ZINC001093927752 775220703 /nfs/dbraw/zinc/22/07/03/775220703.db2.gz MXJMLORFVBPHLO-UHFFFAOYSA-N 1 0 321.381 1.311 20 5 DDBDRO C[N@H+](CC(=O)NCCNc1ncccc1[N+](=O)[O-])CC(C)(C)C ZINC001094141397 775525606 /nfs/dbraw/zinc/52/56/06/775525606.db2.gz UPYXCDZCPFHLPQ-UHFFFAOYSA-N 1 0 323.397 1.496 20 5 DDBDRO Cc1ccc(N(C)CCNC(=O)C[N@@H+](C)C(C)C)c([N+](=O)[O-])c1 ZINC001100149704 775735215 /nfs/dbraw/zinc/73/52/15/775735215.db2.gz LZZHZFDHMXKVEC-UHFFFAOYSA-N 1 0 322.409 1.796 20 5 DDBDRO Cc1cc(NCCCNC(=O)C[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC001094434798 775858653 /nfs/dbraw/zinc/85/86/53/775858653.db2.gz RYBRYRAGQYKLLA-UHFFFAOYSA-N 1 0 320.393 1.917 20 5 DDBDRO CC[NH+](CC)CC(=O)NCCCNc1cc(C)c([N+](=O)[O-])cn1 ZINC001094441850 775877803 /nfs/dbraw/zinc/87/78/03/775877803.db2.gz GIUKFIKCEDTAIN-UHFFFAOYSA-N 1 0 323.397 1.558 20 5 DDBDRO Cc1cc([N+](=O)[O-])cnc1N(C)CCNC(=O)CCC[NH+](C)C ZINC001100286854 775941892 /nfs/dbraw/zinc/94/18/92/775941892.db2.gz QUUIXVJVHPJWPD-UHFFFAOYSA-N 1 0 323.397 1.192 20 5 DDBDRO C[NH+](C)CC1(C(=O)NCCCNc2ccc([N+](=O)[O-])cn2)CC1 ZINC001094736430 776238491 /nfs/dbraw/zinc/23/84/91/776238491.db2.gz KRVHJBJIDDZSNF-UHFFFAOYSA-N 1 0 321.381 1.250 20 5 DDBDRO Cc1cc([N+](=O)[O-])cnc1NCCCNC(=O)CCC[NH+](C)C ZINC001094744191 776243060 /nfs/dbraw/zinc/24/30/60/776243060.db2.gz BDDUZMLPVIOAOE-UHFFFAOYSA-N 1 0 323.397 1.558 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]CCn1cnnc1)CC2 ZINC001172901146 776915262 /nfs/dbraw/zinc/91/52/62/776915262.db2.gz KAUBGRGHLKJNJM-AWEZNQCLSA-N 1 0 301.350 1.724 20 5 DDBDRO CN1C[C@@H](C[NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1=O ZINC001172901177 776915267 /nfs/dbraw/zinc/91/52/67/776915267.db2.gz KJHLTDOHLGJESX-IUODEOHRSA-N 1 0 317.389 1.910 20 5 DDBDRO O=C1C[C@H](C[NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CN1 ZINC001172901418 776916024 /nfs/dbraw/zinc/91/60/24/776916024.db2.gz NCLNKTYUAWABHZ-BXUZGUMPSA-N 1 0 303.362 1.568 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]C[C@@H](C)CO)c1F ZINC001173179175 777034127 /nfs/dbraw/zinc/03/41/27/777034127.db2.gz NUDVNRCREMOBKS-NXEZZACHSA-N 1 0 300.330 1.892 20 5 DDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCN(C2COC2)C1 ZINC001173218884 777050470 /nfs/dbraw/zinc/05/04/70/777050470.db2.gz SICUZWJMVOBOBR-JSGCOSHPSA-N 1 0 305.378 1.589 20 5 DDBDRO CC(=O)N1CC[C@@H](C[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173220470 777052576 /nfs/dbraw/zinc/05/25/76/777052576.db2.gz CJDDYWVILHTTQJ-DOMZBBRYSA-N 1 0 305.378 1.984 20 5 DDBDRO C[C@@H]([NH2+]CCCN1C(=O)CNC1=O)c1ccc([N+](=O)[O-])cc1 ZINC001176028217 778003099 /nfs/dbraw/zinc/00/30/99/778003099.db2.gz KSMBKFIJHHYCKG-SNVBAGLBSA-N 1 0 306.322 1.187 20 5 DDBDRO O=C([C@H]1CC[C@@H](C2CC2)[NH2+]1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001118272632 781081188 /nfs/dbraw/zinc/08/11/88/781081188.db2.gz DGDMBFQJBKIMAH-LSDHHAIUSA-N 1 0 301.346 1.968 20 5 DDBDRO COCn1ncc(C)c1CN(CC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC001120053442 781739889 /nfs/dbraw/zinc/73/98/89/781739889.db2.gz LGRFOLAWVKTFNL-UHFFFAOYSA-N 1 0 319.365 1.669 20 5 DDBDRO CN(c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])C(C)(C)C[NH3+] ZINC000714242200 844110052 /nfs/dbraw/zinc/11/00/52/844110052.db2.gz MLIOLFLHQPPZDG-UHFFFAOYSA-N 1 0 301.368 1.172 20 5 DDBDRO [NH3+][C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC001343697546 839867243 /nfs/dbraw/zinc/86/72/43/839867243.db2.gz LLFCMFDNYYNZDE-LJGSYFOKSA-N 1 0 314.139 1.577 20 5 DDBDRO O=C(NC/C=C/C[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cn[nH]c1 ZINC001268515214 840350872 /nfs/dbraw/zinc/35/08/72/840350872.db2.gz SLVNYZVLZZXCJG-OWOJBTEDSA-N 1 0 315.333 1.394 20 5 DDBDRO O=C(COCC1CC1)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001154981510 861618413 /nfs/dbraw/zinc/61/84/13/861618413.db2.gz MQUADIKILQQGOE-UHFFFAOYSA-N 1 0 321.377 1.617 20 5 DDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC001326831866 861642098 /nfs/dbraw/zinc/64/20/98/861642098.db2.gz BUPRVMHNCAXOBH-GHMZBOCLSA-N 1 0 306.366 1.836 20 5 DDBDRO C[C@@H]1C[NH2+]CCC[C@H]1CNc1c(Cl)[n+]([O-])ccc1[N+](=O)[O-] ZINC001155027232 861659477 /nfs/dbraw/zinc/65/94/77/861659477.db2.gz ZYAMSRCQUMAOHA-ZJUUUORDSA-N 1 0 314.773 1.929 20 5 DDBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(NC[C@H]2C[NH2+][C@H](C)C2)n1 ZINC001155101962 861733936 /nfs/dbraw/zinc/73/39/36/861733936.db2.gz LHMLBANVOOTAJN-GMSGAONNSA-N 1 0 308.342 1.062 20 5 DDBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1NC[C@H]1C[NH2+][C@H](C)C1 ZINC001155101873 861734115 /nfs/dbraw/zinc/73/41/15/861734115.db2.gz MUHSONITZSYWTN-NXEZZACHSA-N 1 0 308.338 1.576 20 5 DDBDRO [NH3+]Cc1ccnn1C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1 ZINC001155123719 861755820 /nfs/dbraw/zinc/75/58/20/861755820.db2.gz GPLVZWHLQPTKIA-UHFFFAOYSA-N 1 0 303.656 1.896 20 5 DDBDRO [NH3+][C@H]1COC[C@H]1Nc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC001155354574 861989107 /nfs/dbraw/zinc/98/91/07/861989107.db2.gz KSYJKVNQBHREDW-NWDGAFQWSA-N 1 0 318.308 1.934 20 5 DDBDRO Cc1ncc([N+](=O)[O-])c(NCC[C@@H]2C[NH2+]Cc3cccn3C2)n1 ZINC001155452596 862103285 /nfs/dbraw/zinc/10/32/85/862103285.db2.gz BODMENDWLOLEKK-GFCCVEGCSA-N 1 0 316.365 1.716 20 5 DDBDRO O=[N+]([O-])c1cc[n+]([O-])c(NCC[C@H]2C[NH2+]Cc3cccn3C2)c1 ZINC001155454611 862104729 /nfs/dbraw/zinc/10/47/29/862104729.db2.gz SHNBYSIHHNRKRS-LBPRGKRZSA-N 1 0 317.349 1.251 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N[C@H]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC001155584272 862258238 /nfs/dbraw/zinc/25/82/38/862258238.db2.gz ZHTUGWOMUANRMI-ZHAHWJHGSA-N 1 0 306.322 1.186 20 5 DDBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001155590854 862265079 /nfs/dbraw/zinc/26/50/79/862265079.db2.gz FJHTVOGOVBQXPC-SWLSCSKDSA-N 1 0 306.366 1.869 20 5 DDBDRO CCC(=O)NC1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CCOCC1 ZINC001327607179 862312883 /nfs/dbraw/zinc/31/28/83/862312883.db2.gz LBHXKEDFKKOCQB-UHFFFAOYSA-N 1 0 321.377 1.760 20 5 DDBDRO O=[N+]([O-])c1ccc2ccc(N[C@H]3C[NH2+][C@@H]4CCO[C@@H]43)nc2c1 ZINC001155636684 862319554 /nfs/dbraw/zinc/31/95/54/862319554.db2.gz LEFAMOFDMHLOOF-ZLDLUXBVSA-N 1 0 300.318 1.684 20 5 DDBDRO Nc1ccccc1CNc1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001155989392 862616525 /nfs/dbraw/zinc/61/65/25/862616525.db2.gz GACAIHBCMWQBRW-UHFFFAOYSA-N 1 0 300.322 1.266 20 5 DDBDRO C[C@@H]1CN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@H](C)N1C ZINC001328044646 862655926 /nfs/dbraw/zinc/65/59/26/862655926.db2.gz LOAQGQVZCLLYNV-WDMOLILDSA-N 1 0 307.350 1.179 20 5 DDBDRO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CC[C@H]1C[NH3+] ZINC001122296418 858741341 /nfs/dbraw/zinc/74/13/41/858741341.db2.gz SRIDCQUCLFAJFR-RYUDHWBXSA-N 1 0 320.393 1.718 20 5 DDBDRO CC(C)Cn1c(C[N+](=O)[O-])nnc1N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC001122733052 858951637 /nfs/dbraw/zinc/95/16/37/858951637.db2.gz WJLPDSCDCIPOKJ-OLZOCXBDSA-N 1 0 322.413 1.241 20 5 DDBDRO C[NH2+][C@@H](C)CCNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC001326074953 861083750 /nfs/dbraw/zinc/08/37/50/861083750.db2.gz MVMLQLPCLSPDBM-JTQLQIEISA-N 1 0 305.338 1.059 20 5 DDBDRO [NH3+]CCc1ccn(C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)n1 ZINC001156898329 863428804 /nfs/dbraw/zinc/42/88/04/863428804.db2.gz LNXNSFYXBWIKKB-UHFFFAOYSA-N 1 0 317.683 1.939 20 5 DDBDRO Cc1cncc([N+](=O)[O-])c1N1CCC(C)([NH+]2CCOCC2)CC1 ZINC001329209579 863537650 /nfs/dbraw/zinc/53/76/50/863537650.db2.gz XKOIOJKSAIQYBK-UHFFFAOYSA-N 1 0 320.393 1.989 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@H]3CCC[N@H+](C)[C@@H]3C2)n1 ZINC001157282400 863708849 /nfs/dbraw/zinc/70/88/49/863708849.db2.gz NBWPIYZLELCEHC-ZWNOBZJWSA-N 1 0 320.349 1.307 20 5 DDBDRO O=C(NCCC[NH2+]Cc1csc(C2CC2)n1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157761587 864111586 /nfs/dbraw/zinc/11/15/86/864111586.db2.gz SNWLGLOYYOGTPD-VXGBXAGGSA-N 1 0 324.406 1.282 20 5 DDBDRO Cc1cc(Cl)c([N+](=O)[O-])c(NC(=N)N2CC[NH+](C)CC2)n1 ZINC001157915480 864257906 /nfs/dbraw/zinc/25/79/06/864257906.db2.gz ZBSXVOPUVCCPLR-UHFFFAOYSA-N 1 0 312.761 1.546 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc(-n2cccc2)cc1 ZINC001225357359 881795256 /nfs/dbraw/zinc/79/52/56/881795256.db2.gz YRGQLYXDPRCZKE-OAHLLOKOSA-N 1 0 303.382 1.840 20 5 DDBDRO [NH3+][C@H]1CN(c2ccc3c(cccc3[N+](=O)[O-])n2)CC12COC2 ZINC001158763122 864888462 /nfs/dbraw/zinc/88/84/62/864888462.db2.gz UXBYCRSYEMFAIA-ZDUSSCGKSA-N 1 0 300.318 1.307 20 5 DDBDRO CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNc2ncc(F)cc2[N+](=O)[O-])O1 ZINC001159239151 865178067 /nfs/dbraw/zinc/17/80/67/865178067.db2.gz XJVDPPITRJVOTI-WZRBSPASSA-N 1 0 314.317 1.266 20 5 DDBDRO C[C@H](Nc1nccc2ccc([N+](=O)[O-])cc21)[C@H]1C[NH2+]CCO1 ZINC001159497466 865350247 /nfs/dbraw/zinc/35/02/47/865350247.db2.gz IHEKKYNQXGUFDZ-IINYFYTJSA-N 1 0 302.334 1.932 20 5 DDBDRO Cc1cc(Cl)nc(N[C@H](C)[C@H]2C[NH2+]CCO2)c1[N+](=O)[O-] ZINC001159499701 865355675 /nfs/dbraw/zinc/35/56/75/865355675.db2.gz UYPMPPVSLOVATO-RKDXNWHRSA-N 1 0 300.746 1.740 20 5 DDBDRO CC[C@]([NH3+])(CO)Nc1cc2ncnc(Cl)c2cc1[N+](=O)[O-] ZINC001159743960 865497419 /nfs/dbraw/zinc/49/74/19/865497419.db2.gz OPKCTRQGWYWAKH-GFCCVEGCSA-N 1 0 311.729 1.661 20 5 DDBDRO CCOC(=O)CN(CC[NH3+])c1ccc2ccc([N+](=O)[O-])cc2n1 ZINC001159864188 865566659 /nfs/dbraw/zinc/56/66/59/865566659.db2.gz MORGMHQNMKHCIV-UHFFFAOYSA-N 1 0 318.333 1.471 20 5 DDBDRO C[C@@H]1[C@@H](NC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)CC[N@@H+]1C ZINC001332403323 865816100 /nfs/dbraw/zinc/81/61/00/865816100.db2.gz PVVNHMYDBNDLAQ-YGRLFVJLSA-N 1 0 304.350 1.713 20 5 DDBDRO CC(C)(NC(=O)CO[C@@H]1CCC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC001332451983 865851134 /nfs/dbraw/zinc/85/11/34/865851134.db2.gz LUQZVGDWGDOUBT-CQSZACIVSA-N 1 0 321.377 1.715 20 5 DDBDRO COc1cccc2c1c(C[NH3+])cn2-c1cc(N)c([N+](=O)[O-])cn1 ZINC001160763615 866104398 /nfs/dbraw/zinc/10/43/98/866104398.db2.gz IVBYZVDDAXGOOR-UHFFFAOYSA-N 1 0 313.317 1.983 20 5 DDBDRO CC(C)[NH+]1CCN(CCCn2ccc(=O)c([N+](=O)[O-])c2)CC1 ZINC001320633117 866904013 /nfs/dbraw/zinc/90/40/13/866904013.db2.gz KCZFHPMVMFYSLO-UHFFFAOYSA-N 1 0 308.382 1.173 20 5 DDBDRO COCCC[NH+]1CCC(Nc2ncc([N+](=O)[O-])cc2OC)CC1 ZINC001333653839 866905651 /nfs/dbraw/zinc/90/56/51/866905651.db2.gz NASHZLAPQWVYOM-UHFFFAOYSA-N 1 0 324.381 1.911 20 5 DDBDRO CCc1n[nH]c(C(=O)N[C@@H]2CCCC[C@@H]2[NH+](C)C)c1[N+](=O)[O-] ZINC001320805513 867042335 /nfs/dbraw/zinc/04/23/35/867042335.db2.gz WYRVGQBUIPPBPB-MNOVXSKESA-N 1 0 309.370 1.483 20 5 DDBDRO COC(=O)[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001324531652 867336657 /nfs/dbraw/zinc/33/66/57/867336657.db2.gz DRLIMARRAKRHLV-MGPQQGTHSA-N 1 0 308.334 1.560 20 5 DDBDRO O=[N+]([O-])c1cnc(N[C@@H]2C[C@@]23CCCOC3)nc1C1C[NH2+]C1 ZINC001162380748 867500543 /nfs/dbraw/zinc/50/05/43/867500543.db2.gz LVGPZUMTMRPAMV-BXUZGUMPSA-N 1 0 305.338 1.053 20 5 DDBDRO COc1nc(NC[C@H]2CCC[NH2+]C[C@H]2C)nc(C)c1[N+](=O)[O-] ZINC001162452161 867543028 /nfs/dbraw/zinc/54/30/28/867543028.db2.gz BQXRIDDGTVGELG-MWLCHTKSSA-N 1 0 309.370 1.749 20 5 DDBDRO O=[N+]([O-])c1ccc(NC[C@@H]2CCC3(CC[NH2+]CC3)CO2)nc1 ZINC001162955213 867945352 /nfs/dbraw/zinc/94/53/52/867945352.db2.gz AFGCTIZZNZADHY-ZDUSSCGKSA-N 1 0 306.366 1.951 20 5 DDBDRO CN(C)c1ccc(N[C@@H]2COCCC23C[NH2+]C3)c([N+](=O)[O-])c1 ZINC001163081407 868067710 /nfs/dbraw/zinc/06/77/10/868067710.db2.gz YKNCLXZMOFJMAI-CQSZACIVSA-N 1 0 306.366 1.451 20 5 DDBDRO O=[N+]([O-])c1c(Cl)ncnc1NC[C@H]1OC[C@H]2C[NH2+]CC[C@H]21 ZINC001163160682 868173023 /nfs/dbraw/zinc/17/30/23/868173023.db2.gz YVXCOVFROMFMRA-IWSPIJDZSA-N 1 0 313.745 1.075 20 5 DDBDRO O=C1C[C@@H]2[NH2+]CC[C@@]2(Nc2cc([N+](=O)[O-])cc3cc[nH]c32)N1 ZINC001163253120 868261401 /nfs/dbraw/zinc/26/14/01/868261401.db2.gz YCCWKZRSLGZJRU-SMDDNHRTSA-N 1 0 301.306 1.066 20 5 DDBDRO COc1cccc(N[C@@H]2CCO[C@]3(CC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC001163322064 868350115 /nfs/dbraw/zinc/35/01/15/868350115.db2.gz GKOYMLPRLQNSEM-IAQYHMDHSA-N 1 0 307.350 1.926 20 5 DDBDRO COC(=O)c1ccnc(N2CCC[C@](C)(C[NH3+])CC2)c1[N+](=O)[O-] ZINC001164246838 869054377 /nfs/dbraw/zinc/05/43/77/869054377.db2.gz DMTRZVGOEYMESH-HNNXBMFYSA-N 1 0 322.365 1.732 20 5 DDBDRO CCOC(=O)c1ccnc(N2C[C@@H](C[NH3+])CC[C@H]2C)c1[N+](=O)[O-] ZINC001164474282 869219750 /nfs/dbraw/zinc/21/97/50/869219750.db2.gz OWCYFJSXUZPYLP-GHMZBOCLSA-N 1 0 322.365 1.730 20 5 DDBDRO Cc1cc(C[NH2+]CC2(CCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)on1 ZINC001164491023 869229533 /nfs/dbraw/zinc/22/95/33/869229533.db2.gz XSKUJUGLHPNLPH-CHWSQXEVSA-N 1 0 322.365 1.024 20 5 DDBDRO Cc1nc(C[NH2+]CC2(CCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)co1 ZINC001164494340 869232273 /nfs/dbraw/zinc/23/22/73/869232273.db2.gz GDBZAMPJLQIUHY-CHWSQXEVSA-N 1 0 322.365 1.024 20 5 DDBDRO CCOc1nc(N2CC[C@]3(C2)CCC[NH2+]C3)ccc1[N+](=O)[O-] ZINC001165241392 869460270 /nfs/dbraw/zinc/46/02/70/869460270.db2.gz WHDXETUTNHQZHZ-OAHLLOKOSA-N 1 0 306.366 1.968 20 5 DDBDRO O=[N+]([O-])c1ccc2ccnc(N3C[C@H]4C[NH2+]C[C@@]4(CO)C3)c2c1 ZINC001165282795 869492886 /nfs/dbraw/zinc/49/28/86/869492886.db2.gz FBPGWHLCMCOAGZ-WBMJQRKESA-N 1 0 314.345 1.161 20 5 DDBDRO O=[N+]([O-])c1cnc(N2C[C@H]3[C@H](CC3(F)F)C2)nc1C1C[NH2+]C1 ZINC001165298133 869504191 /nfs/dbraw/zinc/50/41/91/869504191.db2.gz CVSLIPIWSDHCRH-APPZFPTMSA-N 1 0 311.292 1.163 20 5 DDBDRO O=[N+]([O-])c1cnc(N2CC[C@@H]3CCCO[C@H]3C2)nc1C1C[NH2+]C1 ZINC001165330335 869521647 /nfs/dbraw/zinc/52/16/47/869521647.db2.gz IVQDLJUADJGWMP-GWCFXTLKSA-N 1 0 319.365 1.077 20 5 DDBDRO C[C@@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1cnccn1 ZINC001338407681 869964151 /nfs/dbraw/zinc/96/41/51/869964151.db2.gz JKFSYWWCECMEFP-DGCLKSJQSA-N 1 0 318.333 1.475 20 5 DDBDRO CN(CCc1cccs1)c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001166681073 870150781 /nfs/dbraw/zinc/15/07/81/870150781.db2.gz SOTZFYAYDIEKCO-UHFFFAOYSA-N 1 0 319.390 1.812 20 5 DDBDRO [NH3+][C@@H]1CN(c2cc3ncnc(Cl)c3cc2[N+](=O)[O-])C[C@@H]1F ZINC001166928912 870389303 /nfs/dbraw/zinc/38/93/03/870389303.db2.gz XSJVTWCSORGOHC-JGVFFNPUSA-N 1 0 311.704 1.677 20 5 DDBDRO CC[N@@H+]1CC[C@@H](Oc2cc(C(=O)OC)c([N+](=O)[O-])cc2OC)C1 ZINC001226441554 882434537 /nfs/dbraw/zinc/43/45/37/882434537.db2.gz RICWHBLAMLCOBC-SNVBAGLBSA-N 1 0 324.333 1.863 20 5 DDBDRO O=C(N1CCc2ccc([N+](=O)[O-])cc2C1)[C@]12C[C@H]1CCC[NH2+]2 ZINC001339933451 870791602 /nfs/dbraw/zinc/79/16/02/870791602.db2.gz CKPQFEBYAMAICC-CJNGLKHVSA-N 1 0 301.346 1.622 20 5 DDBDRO O=C([C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001340750072 871330165 /nfs/dbraw/zinc/33/01/65/871330165.db2.gz CQUHVITWOYEMDT-MYZSUADSSA-N 1 0 301.346 1.661 20 5 DDBDRO CCn1c([C@@H](C)[N+](=O)[O-])nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC001340878738 871405582 /nfs/dbraw/zinc/40/55/82/871405582.db2.gz QWFPXWOTZZRKTA-CHWSQXEVSA-N 1 0 324.429 1.804 20 5 DDBDRO O=C(N[C@@H]1CCC[NH2+]CC1)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001341766302 871814944 /nfs/dbraw/zinc/81/49/44/871814944.db2.gz NLGWQZGGZKIBGT-VHDGCEQUSA-N 1 0 303.362 1.957 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001341905656 871890875 /nfs/dbraw/zinc/89/08/75/871890875.db2.gz BSBFAISIHXKLFN-WDEREUQCSA-N 1 0 305.334 1.285 20 5 DDBDRO CN(C(=O)CCNc1ccccc1[N+](=O)[O-])[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001342127574 872019920 /nfs/dbraw/zinc/01/99/20/872019920.db2.gz AYZZZTYXAOLPIO-HBYGRHMLSA-N 1 0 304.350 1.073 20 5 DDBDRO [NH3+][C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)CC[C@H]1C(F)(F)F ZINC001342564710 872265565 /nfs/dbraw/zinc/26/55/65/872265565.db2.gz HRAVUCXQEGCCKW-GHMZBOCLSA-N 1 0 317.267 1.947 20 5 DDBDRO COCC[C@@H]1C[NH2+]CCN1C(=O)c1cccc([N+](=O)[O-])c1C ZINC001342992061 872461230 /nfs/dbraw/zinc/46/12/30/872461230.db2.gz FVKKVTUWEDGQQV-GFCCVEGCSA-N 1 0 307.350 1.354 20 5 DDBDRO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCc1cccc([N+](=O)[O-])c1)C2 ZINC001343116819 872506141 /nfs/dbraw/zinc/50/61/41/872506141.db2.gz CLQZKXAXGOPAMC-YDHLFZDLSA-N 1 0 303.362 1.866 20 5 DDBDRO O=C(CCc1c(Cl)cccc1[N+](=O)[O-])N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001343492712 872646291 /nfs/dbraw/zinc/64/62/91/872646291.db2.gz YPCSUHKJKVWOCB-PHIMTYICSA-N 1 0 323.780 1.859 20 5 DDBDRO CC(C)Cn1c(C[N+](=O)[O-])nnc1N1CC[NH+](CC(C)C)CC1 ZINC001343630179 872692568 /nfs/dbraw/zinc/69/25/68/872692568.db2.gz IHKHHAIRVHFHFS-UHFFFAOYSA-N 1 0 324.429 1.489 20 5 DDBDRO C[C@@H](C[N+](=O)[O-])OC(=O)/C=C\c1ccc(OCC[NH+](C)C)cc1 ZINC001345020019 873225515 /nfs/dbraw/zinc/22/55/15/873225515.db2.gz WAFFFXLEYYNMKZ-XURPKSDJSA-N 1 0 322.361 1.849 20 5 DDBDRO CN(CC[NH+]1CCCCC1)c1nnc(C[N+](=O)[O-])n1CC1CC1 ZINC001348145326 874377044 /nfs/dbraw/zinc/37/70/44/874377044.db2.gz LMFHVBMRUOMLTB-UHFFFAOYSA-N 1 0 322.413 1.387 20 5 DDBDRO C[C@H](Nc1ccc([N+](=O)[O-])c(N)c1F)[C@@H]1C[N@H+](C)CCN1C ZINC001348311188 874476004 /nfs/dbraw/zinc/47/60/04/874476004.db2.gz GOTGLUQOPDFAET-CABZTGNLSA-N 1 0 311.361 1.362 20 5 DDBDRO C[C@@H]1CN(C(=O)c2nn(C)cc2[N+](=O)[O-])CC[N@@H+]1C1CCCC1 ZINC001349381676 875143768 /nfs/dbraw/zinc/14/37/68/875143768.db2.gz FEEVJXASTFLGNO-LLVKDONJSA-N 1 0 321.381 1.417 20 5 DDBDRO CONC(=O)C1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC001349699977 875313368 /nfs/dbraw/zinc/31/33/68/875313368.db2.gz PBUWFOJGTRCVEZ-UHFFFAOYSA-N 1 0 323.349 1.363 20 5 DDBDRO C[C@@H](c1nnc(N2CC[C@@H](C[NH+]3CCCCC3)C2)n1C)[N+](=O)[O-] ZINC001350588388 875771644 /nfs/dbraw/zinc/77/16/44/875771644.db2.gz OCEAOPPPKFXSQC-STQMWFEESA-N 1 0 322.413 1.465 20 5 DDBDRO COC(=O)c1cc(O[C@H]2CCC[NH2+]C2)c(OC)cc1[N+](=O)[O-] ZINC001218282226 877442249 /nfs/dbraw/zinc/44/22/49/877442249.db2.gz QTQNRJBYSPGKHR-VIFPVBQESA-N 1 0 310.306 1.521 20 5 DDBDRO O=C(c1ccc([N+](=O)[O-])o1)N1CCC([NH2+]C2CCOCC2)CC1 ZINC001354183235 877796146 /nfs/dbraw/zinc/79/61/46/877796146.db2.gz XZWLXCAWKQYZFG-UHFFFAOYSA-N 1 0 323.349 1.561 20 5 DDBDRO O=C(Nc1cc2cccnc2c2ncccc12)[C@H]1C[NH2+]C[C@@H]1O ZINC001218979913 877848516 /nfs/dbraw/zinc/84/85/16/877848516.db2.gz LBQVBJQJHMQSRB-JSGCOSHPSA-N 1 0 308.341 1.302 20 5 DDBDRO CC1(NC(=O)CCc2cc(F)ccc2[N+](=O)[O-])CC[NH2+]CC1 ZINC001357457775 879975451 /nfs/dbraw/zinc/97/54/51/879975451.db2.gz PBAYYXLOVOJNRQ-UHFFFAOYSA-N 1 0 309.341 1.925 20 5 DDBDRO CC(C)(C(=O)N[C@@H]1C[NH2+]CC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC001358406913 880421866 /nfs/dbraw/zinc/42/18/66/880421866.db2.gz KXDTXMRUZYYOBX-CYBMUJFWSA-N 1 0 305.378 1.987 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1c(F)cc(Cl)cc1F ZINC001227845383 883199626 /nfs/dbraw/zinc/19/96/26/883199626.db2.gz PBTAJOFJBHZQDO-SECBINFHSA-N 1 0 308.732 1.981 20 5 DDBDRO COc1cccc2c(OC(=O)C[C@@H](O)C[N+](C)(C)C)ncnc12 ZINC001228869181 883707509 /nfs/dbraw/zinc/70/75/09/883707509.db2.gz UUABIEFZDFZMMF-LLVKDONJSA-N 1 0 320.369 1.001 20 5 DDBDRO COC(=O)c1ccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)c(C)c1C ZINC001230979424 885108245 /nfs/dbraw/zinc/10/82/45/885108245.db2.gz OBSBAJKKVFNRHP-CYBMUJFWSA-N 1 0 324.397 1.453 20 5 DDBDRO COCCCC(=O)NCCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC001234397368 887934477 /nfs/dbraw/zinc/93/44/77/887934477.db2.gz BMRGYSLWMXBNOM-UHFFFAOYSA-N 1 0 323.393 1.960 20 5 DDBDRO COc1ccc(C[C@H](C)N2C[C@@H]([NH3+])C[C@H](F)C2)c([N+](=O)[O-])c1 ZINC001246575392 892707476 /nfs/dbraw/zinc/70/74/76/892707476.db2.gz CENDUGSILWKWSJ-DRZSPHRISA-N 1 0 311.357 1.906 20 5 DDBDRO COc1ccc(C[C@H](C)N(C2CC2)C2C[NH2+]C2)c([N+](=O)[O-])c1 ZINC001246864434 892955314 /nfs/dbraw/zinc/95/53/14/892955314.db2.gz OZZRVMUZBYGDNK-NSHDSACASA-N 1 0 305.378 1.971 20 5 DDBDRO C[C@@H](NC(=O)NC[C@](C)(O)C[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC001248636577 893662317 /nfs/dbraw/zinc/66/23/17/893662317.db2.gz YXEJHAFIPDPYGS-ABAIWWIYSA-N 1 0 324.381 1.268 20 5 DDBDRO Cc1nnc(C[NH3+])n1C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254475711 896456993 /nfs/dbraw/zinc/45/69/93/896456993.db2.gz IIBILEXPUXRCAE-UHFFFAOYSA-N 1 0 316.365 1.795 20 5 DDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCOCCOCCO ZINC001254537699 896494130 /nfs/dbraw/zinc/49/41/30/896494130.db2.gz GOEDGHQLHKSHQB-ZDUSSCGKSA-N 1 0 312.366 1.141 20 5 DDBDRO CCOC(=O)[C@H](CCC[NH3+])N[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254538211 896494158 /nfs/dbraw/zinc/49/41/58/896494158.db2.gz RKEKZAXINMJCHL-JSGCOSHPSA-N 1 0 323.393 1.786 20 5 DDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H]2CNC(=O)[C@H]2C1 ZINC001254559141 896501672 /nfs/dbraw/zinc/50/16/72/896501672.db2.gz IXFJFTUYSWLKFX-UBHSHLNASA-N 1 0 303.362 1.594 20 5 DDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CCN2C(=O)COC[C@H]2C1 ZINC001254564399 896501941 /nfs/dbraw/zinc/50/19/41/896501941.db2.gz LNDLKGKDQROGFX-GXTWGEPZSA-N 1 0 319.361 1.069 20 5 DDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CC(N2CC[NH+](C)CC2)C1 ZINC001254571593 896507369 /nfs/dbraw/zinc/50/73/69/896507369.db2.gz YMOAWXIWSRBPPY-AWEZNQCLSA-N 1 0 318.421 1.457 20 5 DDBDRO CCOC(=O)[C@H](CCC[NH3+])N[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254580453 896513401 /nfs/dbraw/zinc/51/34/01/896513401.db2.gz CUCAGSNZEWESHS-HIFRSBDPSA-N 1 0 321.377 1.322 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1CCO[C@]3(CCOC3)C1)C2 ZINC001254593219 896522087 /nfs/dbraw/zinc/52/20/87/896522087.db2.gz KAUNHDMLNPFOCF-JKSUJKDBSA-N 1 0 304.346 1.553 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1CCC[C@H](n3ccnn3)C1)C2 ZINC001254610583 896530141 /nfs/dbraw/zinc/53/01/41/896530141.db2.gz LHJAHDMAQCYOQT-HOTGVXAUSA-N 1 0 313.361 1.991 20 5 DDBDRO Nc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC001293263420 914377777 /nfs/dbraw/zinc/37/77/77/914377777.db2.gz YABBBJJWOWAWOS-LLVKDONJSA-N 1 0 304.350 1.391 20 5 DDBDRO Cn1c(C[N+](=O)[O-])nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001262864180 900400307 /nfs/dbraw/zinc/40/03/07/900400307.db2.gz ANRACPGDWYJREU-UHFFFAOYSA-N 1 0 310.402 1.150 20 5 DDBDRO CC1(C)[NH2+]CC[C@@H]1NC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001263111178 900504373 /nfs/dbraw/zinc/50/43/73/900504373.db2.gz UYQHIVLRTWSRGC-MCIONIFRSA-N 1 0 303.362 1.955 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@H](CNC(=O)C2(C)CC2)C1 ZINC001263862998 900780640 /nfs/dbraw/zinc/78/06/40/900780640.db2.gz ANFGGNKJIILBLN-XYPYZODXSA-N 1 0 321.381 1.113 20 5 DDBDRO COc1ccc(NC(=O)C[C@@]2(O)CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC001295474642 915834089 /nfs/dbraw/zinc/83/40/89/915834089.db2.gz GKDJMSGNEMXKBT-HNNXBMFYSA-N 1 0 323.349 1.389 20 5 DDBDRO C[C@@H]1CC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@H]1CO ZINC000248865541 282113200 /nfs/dbraw/zinc/11/32/00/282113200.db2.gz AVQZUULGYJRHQY-MFKMUULPSA-N 1 0 318.333 1.848 20 5 DDBDRO CN(CC(=O)NCC1(C)CC[NH2+]CC1)c1ccccc1[N+](=O)[O-] ZINC000181273280 199274227 /nfs/dbraw/zinc/27/42/27/199274227.db2.gz GNCYLTKZXVCKML-UHFFFAOYSA-N 1 0 320.393 1.537 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)n1 ZINC000249096364 282132674 /nfs/dbraw/zinc/13/26/74/282132674.db2.gz YFDBCFIEXUHSBK-LBPRGKRZSA-N 1 0 308.382 1.580 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000451334530 231070136 /nfs/dbraw/zinc/07/01/36/231070136.db2.gz BVFUGYKBVKEADN-OUCADQQQSA-N 1 0 308.382 1.844 20 5 DDBDRO COc1ccc(C[N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000090512317 185299693 /nfs/dbraw/zinc/29/96/93/185299693.db2.gz JCTHXVYRTIULNO-UHFFFAOYSA-N 1 0 317.345 1.897 20 5 DDBDRO CCOC[C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090549242 185302364 /nfs/dbraw/zinc/30/23/64/185302364.db2.gz TUJQOAGNSNJDSH-CYBMUJFWSA-N 1 0 309.366 1.505 20 5 DDBDRO C[NH2+]C[C@@H](C)CNS(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000133226179 290680692 /nfs/dbraw/zinc/68/06/92/290680692.db2.gz AQYZKIDFIAUANL-SECBINFHSA-N 1 0 301.368 1.037 20 5 DDBDRO C[N@H+](CCC(N)=O)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000286625507 219091079 /nfs/dbraw/zinc/09/10/79/219091079.db2.gz XWOJDQGEIMINRL-UHFFFAOYSA-N 1 0 318.333 1.600 20 5 DDBDRO Cc1nn(CCC(=O)NCC[C@H]2CCC[NH2+]2)c(C)c1[N+](=O)[O-] ZINC000444257961 282302697 /nfs/dbraw/zinc/30/26/97/282302697.db2.gz GFMIUPDYXWIOIB-GFCCVEGCSA-N 1 0 309.370 1.057 20 5 DDBDRO C[NH2+]C[C@H]1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000414652772 530004756 /nfs/dbraw/zinc/00/47/56/530004756.db2.gz HFEMEWUUMSXTTN-SNVBAGLBSA-N 1 0 308.338 1.677 20 5 DDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1F)N1CC[NH+](C2CCC2)CC1 ZINC000358387597 299139270 /nfs/dbraw/zinc/13/92/70/299139270.db2.gz CVIUVJLAYICJCG-UHFFFAOYSA-N 1 0 321.352 1.973 20 5 DDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1F)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000358395660 299142017 /nfs/dbraw/zinc/14/20/17/299142017.db2.gz PGRGLIJPBIOLBN-CYBMUJFWSA-N 1 0 307.325 1.583 20 5 DDBDRO C[NH2+][C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000133446705 185985392 /nfs/dbraw/zinc/98/53/92/185985392.db2.gz UZPNCXYVHJHGPY-SNVBAGLBSA-N 1 0 308.294 1.327 20 5 DDBDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000138649610 186018231 /nfs/dbraw/zinc/01/82/31/186018231.db2.gz ARJHYFJUWAIJNK-GMTAPVOTSA-N 1 0 309.370 1.414 20 5 DDBDRO CCCC[C@H](C[NH3+])NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000150329233 186056969 /nfs/dbraw/zinc/05/69/69/186056969.db2.gz GDUZPJBKWTZQPG-LLVKDONJSA-N 1 0 315.395 1.699 20 5 DDBDRO COCCC[N@H+](C)CCNC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000152521566 186081624 /nfs/dbraw/zinc/08/16/24/186081624.db2.gz BPDQHKDIZRVPIR-UHFFFAOYSA-N 1 0 309.366 1.601 20 5 DDBDRO Cc1cc(N(C)CC2CC[NH+](C[C@@H](C)O)CC2)ncc1[N+](=O)[O-] ZINC000266840489 186355655 /nfs/dbraw/zinc/35/56/55/186355655.db2.gz MBHICLWHLHQEDM-CYBMUJFWSA-N 1 0 322.409 1.827 20 5 DDBDRO O=C(NCC1([NH+]2CCCCC2)CCCCC1)[C@H]1C[C@H]1[N+](=O)[O-] ZINC000047295366 352489554 /nfs/dbraw/zinc/48/95/54/352489554.db2.gz BQBZVMXICACNEW-UONOGXRCSA-N 1 0 309.410 1.957 20 5 DDBDRO CC(C)C[NH+]1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000049969122 352559327 /nfs/dbraw/zinc/55/93/27/352559327.db2.gz QUIZIVXIGCYWBO-UHFFFAOYSA-N 1 0 320.393 1.807 20 5 DDBDRO CC(C)[N@H+](C)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000052875304 352630115 /nfs/dbraw/zinc/63/01/15/352630115.db2.gz LQIVUAMKTWYXFM-UHFFFAOYSA-N 1 0 320.393 1.584 20 5 DDBDRO Cc1ccccc1C[NH+]1CCC(NC(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])CC1 ZINC000053968487 352674181 /nfs/dbraw/zinc/67/41/81/352674181.db2.gz ABDUDTMYONNUPN-CVEARBPZSA-N 1 0 317.389 1.741 20 5 DDBDRO Cc1cc(C(=O)Nc2cnn(CC[NH+](C)C)c2)ccc1[N+](=O)[O-] ZINC000061635816 352891663 /nfs/dbraw/zinc/89/16/63/352891663.db2.gz RTGRTEQUHMTDJV-UHFFFAOYSA-N 1 0 317.349 1.914 20 5 DDBDRO Cc1c(NC(=O)CC[N@@H+](C)CC[C@H](C)O)cccc1[N+](=O)[O-] ZINC000072713230 353210657 /nfs/dbraw/zinc/21/06/57/353210657.db2.gz RUYSNIBRBBOFEC-NSHDSACASA-N 1 0 309.366 1.935 20 5 DDBDRO O=C1C[C@@]2(CN1)CCC[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C2 ZINC000072830759 353219515 /nfs/dbraw/zinc/21/95/15/353219515.db2.gz UACFNEQOGLDTFM-MRXNPFEDSA-N 1 0 319.361 1.576 20 5 DDBDRO C[NH+](C)[C@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]1)c1ccccc1 ZINC000072952889 353227389 /nfs/dbraw/zinc/22/73/89/353227389.db2.gz MAWGNAYUPRIYJD-CQSZACIVSA-N 1 0 302.334 1.956 20 5 DDBDRO Cc1cc(NC2CCN(CC[NH+](C)C)CC2)ncc1[N+](=O)[O-] ZINC000074740238 353327730 /nfs/dbraw/zinc/32/77/30/353327730.db2.gz XLUBSCAGRXNMQS-UHFFFAOYSA-N 1 0 307.398 1.736 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+](Cc2ccccn2)C2CC2)c1 ZINC000174665999 198367415 /nfs/dbraw/zinc/36/74/15/198367415.db2.gz KKXOCHSZMFCZEN-OAHLLOKOSA-N 1 0 317.349 1.212 20 5 DDBDRO C[C@H]1C[N@@H+](C2CCN(C(=O)c3cc([N+](=O)[O-])c[nH]3)CC2)CCO1 ZINC000079427314 353561063 /nfs/dbraw/zinc/56/10/63/353561063.db2.gz DRTZLMWKWCLPDI-NSHDSACASA-N 1 0 322.365 1.248 20 5 DDBDRO NC(=O)[C@@H]1CCC[N@H+](CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000091478069 353827102 /nfs/dbraw/zinc/82/71/02/353827102.db2.gz JZSQLOUPZIDGAW-GFCCVEGCSA-N 1 0 306.366 1.594 20 5 DDBDRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNc1ccc([N+](=O)[O-])cc1 ZINC000091478046 353827211 /nfs/dbraw/zinc/82/72/11/353827211.db2.gz SNFNRHJRHUAAFN-OAHLLOKOSA-N 1 0 320.393 1.949 20 5 DDBDRO Cc1cc([N+](=O)[O-])cnc1NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000092642214 353865014 /nfs/dbraw/zinc/86/50/14/353865014.db2.gz DJZBAPDACFDISL-LBPRGKRZSA-N 1 0 321.381 1.298 20 5 DDBDRO COc1cc(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000108304201 353949528 /nfs/dbraw/zinc/94/95/28/353949528.db2.gz LFXWHYDQUMZZSJ-ZDUSSCGKSA-N 1 0 319.361 1.818 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCC[C@@H](CO)CC2)c1 ZINC000293114302 354454040 /nfs/dbraw/zinc/45/40/40/354454040.db2.gz LVKSBXOYNPTBIA-HIFRSBDPSA-N 1 0 324.377 1.429 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[N@H+](C)C(C)(C)C2)c1 ZINC000317580125 354512190 /nfs/dbraw/zinc/51/21/90/354512190.db2.gz PUMSNEANJDXWQO-UHFFFAOYSA-N 1 0 307.350 1.912 20 5 DDBDRO CC(C)[NH+]1CCN([C@@H]2CCN(c3ccncc3[N+](=O)[O-])C2)CC1 ZINC000588823301 354939548 /nfs/dbraw/zinc/93/95/48/354939548.db2.gz JOSZDKFLNUWMBH-CQSZACIVSA-N 1 0 319.409 1.595 20 5 DDBDRO CC[C@@H]1C[N@H+](Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C[C@H]1O ZINC000589505441 354998103 /nfs/dbraw/zinc/99/81/03/354998103.db2.gz IHHOEQQDYYBZGI-QMTHXVAHSA-N 1 0 308.334 1.584 20 5 DDBDRO COc1cccc(C(=O)N2CC[C@@H]3C[N@H+](C)C[C@H]32)c1[N+](=O)[O-] ZINC000590447424 355099266 /nfs/dbraw/zinc/09/92/66/355099266.db2.gz XDCSNEKQAIPBIM-ZYHUDNBSSA-N 1 0 305.334 1.380 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(Cc3cc([N+](=O)[O-])cc4c3OCOC4)C[C@@H]21 ZINC000590659994 355139852 /nfs/dbraw/zinc/13/98/52/355139852.db2.gz RIPNZYFSDJLEKN-ABAIWWIYSA-N 1 0 319.361 1.597 20 5 DDBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]C[C@@H]1CCC[C@H]1O)OCCO2 ZINC000590663108 355139887 /nfs/dbraw/zinc/13/98/87/355139887.db2.gz KZEKDVGBXLDXGR-GXFFZTMASA-N 1 0 308.334 1.617 20 5 DDBDRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000591348238 355294528 /nfs/dbraw/zinc/29/45/28/355294528.db2.gz GBZBDRLIDFUBLC-TZMCWYRMSA-N 1 0 306.366 1.912 20 5 DDBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N[C@@H]1CCC[NH2+]CC1 ZINC000591356096 355297707 /nfs/dbraw/zinc/29/77/07/355297707.db2.gz HAYUQNSCJPJGTD-CYBMUJFWSA-N 1 0 306.366 1.579 20 5 DDBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)NC[C@H]1CCCC[NH2+]1 ZINC000591355989 355298275 /nfs/dbraw/zinc/29/82/75/355298275.db2.gz XDDXPFBIPTVEIN-CYBMUJFWSA-N 1 0 306.366 1.579 20 5 DDBDRO C[C@@H]1C[C@@H]1c1ccc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)o1 ZINC000591729268 355373775 /nfs/dbraw/zinc/37/37/75/355373775.db2.gz YNHLQCAURCNXJE-OSMZGAPFSA-N 1 0 320.349 1.658 20 5 DDBDRO O=C(CC[NH2+]C[C@H]1CCCC(=O)N1)Nc1ccccc1[N+](=O)[O-] ZINC000591764175 355380307 /nfs/dbraw/zinc/38/03/07/355380307.db2.gz VJSFHWUVJMTDKX-LLVKDONJSA-N 1 0 320.349 1.182 20 5 DDBDRO Cc1ccc(NCCCNC(=O)[C@@H]2[NH2+]CC2(C)C)c([N+](=O)[O-])c1 ZINC000591667931 355357516 /nfs/dbraw/zinc/35/75/16/355357516.db2.gz GJLRVGJKQWQYCK-AWEZNQCLSA-N 1 0 320.393 1.819 20 5 DDBDRO O=[N+]([O-])c1cccnc1N1CC[NH+](CCC[C@H]2CCOC2)CC1 ZINC000592124637 355506175 /nfs/dbraw/zinc/50/61/75/355506175.db2.gz HRMUCOPJAZVWKG-AWEZNQCLSA-N 1 0 320.393 1.929 20 5 DDBDRO COc1ccc(CC(=O)N[C@@H]2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000592328326 355559876 /nfs/dbraw/zinc/55/98/76/355559876.db2.gz DGNGQDUSTUOBAL-GFCCVEGCSA-N 1 0 307.350 1.404 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CC2(CO)CCC2)c1 ZINC000592430588 355581106 /nfs/dbraw/zinc/58/11/06/355581106.db2.gz TZSRTADQJFVNIB-ZDUSSCGKSA-N 1 0 310.350 1.087 20 5 DDBDRO [NH3+]C[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000592366855 355568652 /nfs/dbraw/zinc/56/86/52/355568652.db2.gz FFBXDKFHAOTTLZ-QMMMGPOBSA-N 1 0 305.381 1.016 20 5 DDBDRO CCCN(C(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-])[C@H]1CC[N@H+](C)C1 ZINC000592829334 355705909 /nfs/dbraw/zinc/70/59/09/355705909.db2.gz NXKHYASARCWTQN-NSHDSACASA-N 1 0 323.397 1.998 20 5 DDBDRO O=C(CC[N@@H+]1C[C@@H]2C[C@H]1C[S@@]2=O)Nc1ccccc1[N+](=O)[O-] ZINC000593104226 355799250 /nfs/dbraw/zinc/79/92/50/355799250.db2.gz XUJBMGFLXUSUBV-GANBNBROSA-N 1 0 323.374 1.129 20 5 DDBDRO C[C@@H]1C[N@H+](C)[C@H](C)[C@@H](C)N1C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000593187836 355821128 /nfs/dbraw/zinc/82/11/28/355821128.db2.gz USWHIQWUFBGJCU-IJLUTSLNSA-N 1 0 309.370 1.121 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCN1CCCC1=O ZINC000593683544 355966418 /nfs/dbraw/zinc/96/64/18/355966418.db2.gz LMZVQVVUUMVKJT-UHFFFAOYSA-N 1 0 307.350 1.706 20 5 DDBDRO CN(CC[NH+]1CCCCC1)C(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000593900958 356048150 /nfs/dbraw/zinc/04/81/50/356048150.db2.gz ZEXQWUZTSUQSNU-UHFFFAOYSA-N 1 0 308.338 1.253 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1CCC[NH2+]CC1 ZINC000593903753 356050847 /nfs/dbraw/zinc/05/08/47/356050847.db2.gz MXQRGRBEOXMHRF-LLVKDONJSA-N 1 0 307.350 1.609 20 5 DDBDRO Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)NC[C@H](C)[NH3+])c1 ZINC000593905077 356051169 /nfs/dbraw/zinc/05/11/69/356051169.db2.gz KNQHWMZEIOQQOD-JTQLQIEISA-N 1 0 317.349 1.225 20 5 DDBDRO C[NH+](C)CC[C@@H](N)C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000593910344 356054976 /nfs/dbraw/zinc/05/49/76/356054976.db2.gz UGBTZZNMRQBQKR-CYBMUJFWSA-N 1 0 308.382 1.225 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCCCC[C@@H]1CO ZINC000594017221 356089831 /nfs/dbraw/zinc/08/98/31/356089831.db2.gz VQWCGWKJPHVLBY-KGLIPLIRSA-N 1 0 324.377 1.571 20 5 DDBDRO C[C@H]1CC[N@H+](CC(=O)N(C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000594357517 356182228 /nfs/dbraw/zinc/18/22/28/356182228.db2.gz OSMOWHWMNQZRJQ-ZDUSSCGKSA-N 1 0 305.378 1.938 20 5 DDBDRO CCc1n[nH]c(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000594418564 356204038 /nfs/dbraw/zinc/20/40/38/356204038.db2.gz KDZXQNSEIRHDJO-RYUDHWBXSA-N 1 0 321.381 1.627 20 5 DDBDRO CC(C)Oc1nc(N2CCN(CCO)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000594584485 356256039 /nfs/dbraw/zinc/25/60/39/356256039.db2.gz DPNDOEMVGYTNEG-LBPRGKRZSA-N 1 0 324.381 1.280 20 5 DDBDRO COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000594921132 356355145 /nfs/dbraw/zinc/35/51/45/356355145.db2.gz BURXXYZZIIOFKF-LERXQTSPSA-N 1 0 308.334 1.761 20 5 DDBDRO O=[N+]([O-])c1cc(CNC2CC[NH+]([C@H]3CCOC3)CC2)cs1 ZINC000594992143 356369088 /nfs/dbraw/zinc/36/90/88/356369088.db2.gz BEBDQUFPDIPWTD-ZDUSSCGKSA-N 1 0 311.407 1.999 20 5 DDBDRO COc1cc(CN2CC[C@H]3CC[C@@H](C2)[NH2+]3)c([N+](=O)[O-])cc1OC ZINC000347035548 283156085 /nfs/dbraw/zinc/15/60/85/283156085.db2.gz DMFHBOXLVRUWBE-OLZOCXBDSA-N 1 0 321.377 1.938 20 5 DDBDRO CC1(C)C[C@H]([NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CO1 ZINC000595285887 356432982 /nfs/dbraw/zinc/43/29/82/356432982.db2.gz BBVBHHIBWOGRRY-ZDUSSCGKSA-N 1 0 306.366 1.679 20 5 DDBDRO NC(=O)c1ccc(C[NH2+]C2(CCO)CCCC2)c([N+](=O)[O-])c1 ZINC000595509024 356525421 /nfs/dbraw/zinc/52/54/21/356525421.db2.gz NHOBLGKSMQTKFR-UHFFFAOYSA-N 1 0 307.350 1.479 20 5 DDBDRO CCCc1n[nH]c(C(=O)N2CCC[C@@H](C[NH2+]C)C2)c1[N+](=O)[O-] ZINC000236884049 202052096 /nfs/dbraw/zinc/05/20/96/202052096.db2.gz CLBORPWYKUAMPG-JTQLQIEISA-N 1 0 309.370 1.342 20 5 DDBDRO CO[C@@]1(CO)CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000595659799 356595865 /nfs/dbraw/zinc/59/58/65/356595865.db2.gz AOZLARFOVZVIAH-HNNXBMFYSA-N 1 0 310.350 1.447 20 5 DDBDRO C[C@@H]1C[NH+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H](C)C1O ZINC000595748321 356634712 /nfs/dbraw/zinc/63/47/12/356634712.db2.gz FNDKNAFLWDZUBV-YRGRVCCFSA-N 1 0 324.377 1.283 20 5 DDBDRO COc1ccc(NC(=O)CN2CCC[C@@H]2[C@H](C)O)c([N+](=O)[O-])c1 ZINC000595767178 356643755 /nfs/dbraw/zinc/64/37/55/356643755.db2.gz WGFUHBJRZXHLJN-GXFFZTMASA-N 1 0 323.349 1.387 20 5 DDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H]([NH3+])C2)cc1OC ZINC000237050190 202136804 /nfs/dbraw/zinc/13/68/04/202136804.db2.gz YJYUDEWCTSLOGK-SECBINFHSA-N 1 0 309.322 1.175 20 5 DDBDRO NC(=O)c1ccc(C[N@@H+]2CC[C@H]3COC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000595828454 356666767 /nfs/dbraw/zinc/66/67/67/356666767.db2.gz FASTVKPTQAMWQI-STQMWFEESA-N 1 0 305.334 1.162 20 5 DDBDRO C[N@@H+](CC1=CCSC1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000595895042 356694893 /nfs/dbraw/zinc/69/48/93/356694893.db2.gz BQKPATCKCHCKRL-AWEZNQCLSA-N 1 0 324.402 1.940 20 5 DDBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000595906966 356700859 /nfs/dbraw/zinc/70/08/59/356700859.db2.gz PHBDPEZDUIEGEI-HBNTYKKESA-N 1 0 310.329 1.293 20 5 DDBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)NCC12CC(C1)C[NH2+]2 ZINC000595951804 356720297 /nfs/dbraw/zinc/72/02/97/356720297.db2.gz RTSFGCFSUGZQFL-UHFFFAOYSA-N 1 0 318.377 1.655 20 5 DDBDRO CCn1nccc1C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000596071495 356761989 /nfs/dbraw/zinc/76/19/89/356761989.db2.gz ZYPFDRDLNKZUIF-ZDUSSCGKSA-N 1 0 320.349 1.341 20 5 DDBDRO CC[N@@H+]1CCCC[C@@H]1CNc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596121319 356781078 /nfs/dbraw/zinc/78/10/78/356781078.db2.gz VOWBIKGRCJTAPC-GFCCVEGCSA-N 1 0 306.366 1.980 20 5 DDBDRO COc1cc(N[C@@H](C)CN2CC[NH+](C)CC2)c([N+](=O)[O-])cc1C ZINC000596123178 356781593 /nfs/dbraw/zinc/78/15/93/356781593.db2.gz LFJNYJXJESWWKG-ZDUSSCGKSA-N 1 0 322.409 1.960 20 5 DDBDRO C[C@@H]1C[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@H](C)[C@H]1O ZINC000597204349 357091920 /nfs/dbraw/zinc/09/19/20/357091920.db2.gz HSODFMUHMOCLAA-CDMJZVDBSA-N 1 0 322.361 1.815 20 5 DDBDRO C[C@@H]1C[N@@H+](CCCCNC(=O)c2cc([N+](=O)[O-])c[nH]2)C[C@H](C)O1 ZINC000347605125 283241343 /nfs/dbraw/zinc/24/13/43/283241343.db2.gz IZVHERAXFGTJPQ-TXEJJXNPSA-N 1 0 324.381 1.542 20 5 DDBDRO COc1ccc(CNC(=O)N[C@]2(C)CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000597432501 357174143 /nfs/dbraw/zinc/17/41/43/357174143.db2.gz BVGXEMJWKGGHJG-CQSZACIVSA-N 1 0 308.338 1.155 20 5 DDBDRO COc1cc(C(=O)N[C@@H]2CCC[C@H]2[NH+](C)C)ccc1[N+](=O)[O-] ZINC000597532837 357212954 /nfs/dbraw/zinc/21/29/54/357212954.db2.gz LOKMOEZADPNDKK-VXGBXAGGSA-N 1 0 307.350 1.816 20 5 DDBDRO C[C@@H](CCNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)[NH+](C)C ZINC000597992941 357409413 /nfs/dbraw/zinc/40/94/13/357409413.db2.gz PLSAVWGIFIKSJS-VIFPVBQESA-N 1 0 315.320 1.872 20 5 DDBDRO C[NH+](C)CCC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)CCO1 ZINC000598545973 357628742 /nfs/dbraw/zinc/62/87/42/357628742.db2.gz SYWOCHGEARTCEN-NSHDSACASA-N 1 0 311.338 1.371 20 5 DDBDRO CCCC[N@H+](C)CCNc1nccc(C(=O)OC)c1[N+](=O)[O-] ZINC000598594813 357646407 /nfs/dbraw/zinc/64/64/07/357646407.db2.gz DDTLXAFZWQQDBP-UHFFFAOYSA-N 1 0 310.354 1.920 20 5 DDBDRO COc1cccc(C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)c1[N+](=O)[O-] ZINC000598668470 357678373 /nfs/dbraw/zinc/67/83/73/357678373.db2.gz UALXRDCEVQPVBW-MEBBXXQBSA-N 1 0 305.334 1.557 20 5 DDBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000598680800 357685497 /nfs/dbraw/zinc/68/54/97/357685497.db2.gz DIVCZJXYQZUXHK-WQGACYEGSA-N 1 0 318.377 1.735 20 5 DDBDRO C[NH2+]CCCNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C ZINC000598716293 357701791 /nfs/dbraw/zinc/70/17/91/357701791.db2.gz ILQZZDLDSSIFQC-UHFFFAOYSA-N 1 0 301.368 1.099 20 5 DDBDRO CC[NH2+]CCNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C ZINC000598716263 357701965 /nfs/dbraw/zinc/70/19/65/357701965.db2.gz FMUSZBYLLKMLLM-UHFFFAOYSA-N 1 0 301.368 1.099 20 5 DDBDRO CN(C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000347890595 283291621 /nfs/dbraw/zinc/29/16/21/283291621.db2.gz KDWBUUSUFWJTHN-LBPRGKRZSA-N 1 0 321.381 1.222 20 5 DDBDRO CCOC(=O)C[C@H](O)C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000599404966 357924049 /nfs/dbraw/zinc/92/40/49/357924049.db2.gz OMUCAOFIQDTGEF-AWEZNQCLSA-N 1 0 310.350 1.383 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)CC2(C)COC2)c1 ZINC000599572627 357979057 /nfs/dbraw/zinc/97/90/57/357979057.db2.gz DAGUIKBNVQIVDC-UHFFFAOYSA-N 1 0 308.334 1.850 20 5 DDBDRO C[C@]1(CO)C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@@]1(C)CO ZINC000599624935 357996899 /nfs/dbraw/zinc/99/68/99/357996899.db2.gz ZIMIKZPTBAXUDM-IYBDPMFKSA-N 1 0 324.377 1.286 20 5 DDBDRO Cc1c(NC(=O)CC[N@@H+](C)C[C@H]2C[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC000599670350 358018149 /nfs/dbraw/zinc/01/81/49/358018149.db2.gz FDYFCEFFNNFHRI-BETUJISGSA-N 1 0 321.377 1.935 20 5 DDBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)C[C@H]1C[C@@H](O)C1 ZINC000599673873 358019286 /nfs/dbraw/zinc/01/92/86/358019286.db2.gz VDGIAUMJNDUUMJ-SDDRHHMPSA-N 1 0 307.350 1.625 20 5 DDBDRO CCN(C(=O)COc1ccc([N+](=O)[O-])cc1)C1CC[NH+](C)CC1 ZINC000599986160 358096744 /nfs/dbraw/zinc/09/67/44/358096744.db2.gz OWSAXJPJTKNWHX-UHFFFAOYSA-N 1 0 321.377 1.916 20 5 DDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000600472263 358233839 /nfs/dbraw/zinc/23/38/39/358233839.db2.gz NMEXCWXHZFUUAV-GFCCVEGCSA-N 1 0 318.377 1.924 20 5 DDBDRO C[C@H]1C[C@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC[NH2+]1 ZINC000447508167 291142240 /nfs/dbraw/zinc/14/22/40/291142240.db2.gz JROWCLLTDMJHON-VHSXEESVSA-N 1 0 321.333 1.236 20 5 DDBDRO CCCC[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000180550189 199173907 /nfs/dbraw/zinc/17/39/07/199173907.db2.gz OGDCQSDUTBNSLX-UHFFFAOYSA-N 1 0 321.381 1.566 20 5 DDBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C1CN(c2ccncn2)C1 ZINC000601157704 358426010 /nfs/dbraw/zinc/42/60/10/358426010.db2.gz DPPJFBDVPJKYQW-HWKANZROSA-N 1 0 311.345 1.876 20 5 DDBDRO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CC([NH+]2CCCC2)C1 ZINC000601194017 358441423 /nfs/dbraw/zinc/44/14/23/358441423.db2.gz UZHYWYMKOACJGB-UHFFFAOYSA-N 1 0 319.287 1.632 20 5 DDBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000601422100 358545012 /nfs/dbraw/zinc/54/50/12/358545012.db2.gz PJAIUCMEJCSJTK-RKDXNWHRSA-N 1 0 319.408 1.369 20 5 DDBDRO C[C@](O)(C[C@@H](O)C[NH2+]CCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000601957257 358753070 /nfs/dbraw/zinc/75/30/70/358753070.db2.gz UXXCMWSILUOECM-CVEARBPZSA-N 1 0 308.378 1.639 20 5 DDBDRO CCOc1cc(C[NH2+][C@@H]2CCC[C@H]2C(=O)NC)ccc1[N+](=O)[O-] ZINC000348146808 283390144 /nfs/dbraw/zinc/39/01/44/283390144.db2.gz FTSYPIIMVFWLNG-CHWSQXEVSA-N 1 0 321.377 1.998 20 5 DDBDRO O=C1[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CCN1C1CCC1 ZINC000601930068 358743104 /nfs/dbraw/zinc/74/31/04/358743104.db2.gz DZNHCIOXURBUGI-HNNXBMFYSA-N 1 0 303.362 1.880 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000602073711 358801812 /nfs/dbraw/zinc/80/18/12/358801812.db2.gz OJWIWQDPTMTPPW-LLVKDONJSA-N 1 0 307.350 1.561 20 5 DDBDRO COC[C@]1(C(=O)NCc2cccc([N+](=O)[O-])c2)CCCC[NH2+]1 ZINC000602440539 358978173 /nfs/dbraw/zinc/97/81/73/358978173.db2.gz QOCHDUMZMSGLMG-HNNXBMFYSA-N 1 0 307.350 1.370 20 5 DDBDRO CN(CCOCC[NH3+])C(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000602549771 359040583 /nfs/dbraw/zinc/04/05/83/359040583.db2.gz DPWJCMARWQYTGM-UHFFFAOYSA-N 1 0 321.377 1.450 20 5 DDBDRO COc1cc(C(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)cc([N+](=O)[O-])c1C ZINC000602557302 359043965 /nfs/dbraw/zinc/04/39/65/359043965.db2.gz ZDBRLUPGLGMBAS-BXKDBHETSA-N 1 0 307.350 1.782 20 5 DDBDRO COCCO[C@H]1COCC[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602626398 359082273 /nfs/dbraw/zinc/08/22/73/359082273.db2.gz YOPFKKUUZKLWPK-CVEARBPZSA-N 1 0 324.377 1.547 20 5 DDBDRO CCOC(=O)[C@@]1(C(C)C)CC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602635830 359089184 /nfs/dbraw/zinc/08/91/84/359089184.db2.gz CCEKWIIVBNMOKE-HNNXBMFYSA-N 1 0 324.381 1.740 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H](CO)CC3CC3)CC2)cn1 ZINC000602583017 359055675 /nfs/dbraw/zinc/05/56/75/359055675.db2.gz UPLCLGIMQGHMFE-CQSZACIVSA-N 1 0 320.393 1.709 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000602783086 359188986 /nfs/dbraw/zinc/18/89/86/359188986.db2.gz YESKUXVPIIDHBT-GFCCVEGCSA-N 1 0 324.381 1.763 20 5 DDBDRO O=[N+]([O-])c1cccnc1N1CC[NH+](CCC[C@@H]2CCO2)CC1 ZINC000602689660 359127458 /nfs/dbraw/zinc/12/74/58/359127458.db2.gz WWSBLHKVJZBROL-CYBMUJFWSA-N 1 0 306.366 1.681 20 5 DDBDRO Cn1cc(CN2CCC[C@H]([NH+]3CCOCC3)CC2)c([N+](=O)[O-])n1 ZINC000602707128 359137678 /nfs/dbraw/zinc/13/76/78/359137678.db2.gz CPDGQFNVZLCKQI-AWEZNQCLSA-N 1 0 323.397 1.015 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000602835139 359226621 /nfs/dbraw/zinc/22/66/21/359226621.db2.gz XVKOMGXTCAAMNZ-OCCSQVGLSA-N 1 0 308.382 1.989 20 5 DDBDRO CCO[C@@H]1C[C@@H]([NH2+]CCn2c(C)ncc2[N+](=O)[O-])[C@@H]1SC ZINC000602852358 359238914 /nfs/dbraw/zinc/23/89/14/359238914.db2.gz QBNSMDALEYRSES-WZRBSPASSA-N 1 0 314.411 1.598 20 5 DDBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2c(C)cncc2[N+](=O)[O-])C1 ZINC000602953628 359319281 /nfs/dbraw/zinc/31/92/81/359319281.db2.gz BTXFXHWYHHVWJA-GFCCVEGCSA-N 1 0 321.381 1.668 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1Cc2c[nH]nc2CC(C)(C)C1 ZINC000602902435 359282889 /nfs/dbraw/zinc/28/28/89/359282889.db2.gz LVFKPKPSSLJQCP-UHFFFAOYSA-N 1 0 318.381 1.907 20 5 DDBDRO COCC[NH2+]CCc1cn(Cc2cccc([N+](=O)[O-])c2C)nn1 ZINC000603199853 359476138 /nfs/dbraw/zinc/47/61/38/359476138.db2.gz VTMMZQBWYPCUJQ-UHFFFAOYSA-N 1 0 319.365 1.322 20 5 DDBDRO CCN(CCC[NH+](C)C)C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000276312983 212797884 /nfs/dbraw/zinc/79/78/84/212797884.db2.gz ZUENSYDWYNQLNN-UHFFFAOYSA-N 1 0 309.366 1.774 20 5 DDBDRO COc1cc(OCC(=O)N[C@H]2C[NH2+]CC[C@H]2C)ccc1[N+](=O)[O-] ZINC000186811273 200015031 /nfs/dbraw/zinc/01/50/31/200015031.db2.gz VSOVXZPXAQWRSY-PWSUYJOCSA-N 1 0 323.349 1.096 20 5 DDBDRO C[C@@H]1C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC[C@@H]1O ZINC000186825286 200018166 /nfs/dbraw/zinc/01/81/66/200018166.db2.gz XQKFUJGWWZLFAB-ZLDLUXBVSA-N 1 0 310.350 1.037 20 5 DDBDRO C[C@H]1COCC[N@@H+]1C1CCN(c2c([N+](=O)[O-])ncn2C)CC1 ZINC000603401241 359617561 /nfs/dbraw/zinc/61/75/61/359617561.db2.gz KICFDKWFIGFDRJ-NSHDSACASA-N 1 0 309.370 1.018 20 5 DDBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]C[C@H]1CCCOC1)OCCO2 ZINC000604532805 359762238 /nfs/dbraw/zinc/76/22/38/359762238.db2.gz KZJMPMDGGHNLDH-LLVKDONJSA-N 1 0 308.334 1.882 20 5 DDBDRO O=C(NCC[NH+]1CCCC1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000608990159 360257092 /nfs/dbraw/zinc/25/70/92/360257092.db2.gz NADZGLWLUXNUGW-UHFFFAOYSA-N 1 0 321.333 1.192 20 5 DDBDRO C[C@H](NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)C1CC[NH+](C)CC1 ZINC000608839734 360249682 /nfs/dbraw/zinc/24/96/82/360249682.db2.gz YEZDTYVOVISRJK-NSHDSACASA-N 1 0 323.397 1.373 20 5 DDBDRO CNc1ccc(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)cc1[N+](=O)[O-] ZINC000609383605 360303395 /nfs/dbraw/zinc/30/33/95/360303395.db2.gz WIKONWGIJSNAOG-ZDUSSCGKSA-N 1 0 318.377 1.851 20 5 DDBDRO CC(C)[NH2+][C@H]1CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000609135616 360264166 /nfs/dbraw/zinc/26/41/66/360264166.db2.gz TWQOWZUMKITEOH-NSHDSACASA-N 1 0 324.356 1.919 20 5 DDBDRO COCC[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000609269557 360285907 /nfs/dbraw/zinc/28/59/07/360285907.db2.gz UAONIOPJQPNDGO-GFCCVEGCSA-N 1 0 307.350 1.435 20 5 DDBDRO C[N@@H+]1CCC[C@@H](NC(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000609471159 360311488 /nfs/dbraw/zinc/31/14/88/360311488.db2.gz CWHGPHBJPFHBAN-GFCCVEGCSA-N 1 0 322.365 1.367 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000609894013 360362753 /nfs/dbraw/zinc/36/27/53/360362753.db2.gz JECCIKZZLVPUMZ-NSHDSACASA-N 1 0 309.370 1.241 20 5 DDBDRO CN(C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)[C@H]1CCC[N@H+](C)C1 ZINC000610187911 360389289 /nfs/dbraw/zinc/38/92/89/360389289.db2.gz XBMCJZUORWAQMV-JTQLQIEISA-N 1 0 321.333 1.490 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000610276237 360406632 /nfs/dbraw/zinc/40/66/32/360406632.db2.gz FPEBRRXHRXZSLL-UKRRQHHQSA-N 1 0 305.378 1.939 20 5 DDBDRO C[NH+](C)C[C@@H]1CCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611271651 360685980 /nfs/dbraw/zinc/68/59/80/360685980.db2.gz HRVSCQKLEYLQDE-LBPRGKRZSA-N 1 0 321.377 1.750 20 5 DDBDRO CCC[C@@H]1C[NH2+]CCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000359040930 299314675 /nfs/dbraw/zinc/31/46/75/299314675.db2.gz ITPJNAQNRXZWJT-CQSZACIVSA-N 1 0 320.393 1.916 20 5 DDBDRO Cc1ccncc1[C@@H](C)[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000611939168 360862963 /nfs/dbraw/zinc/86/29/63/360862963.db2.gz OSCCESIWCODPQV-GFCCVEGCSA-N 1 0 302.334 1.811 20 5 DDBDRO C[C@H](O)C[NH+]1CCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000194756791 201284018 /nfs/dbraw/zinc/28/40/18/201284018.db2.gz SLXBFXTVKVBBNK-NSHDSACASA-N 1 0 324.337 1.001 20 5 DDBDRO Cc1cc(C(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)ccc1[N+](=O)[O-] ZINC000619873375 364170935 /nfs/dbraw/zinc/17/09/35/364170935.db2.gz HZTNLJFSUYBHKT-AWEZNQCLSA-N 1 0 318.377 1.023 20 5 DDBDRO CO[C@H]1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000275526526 212395224 /nfs/dbraw/zinc/39/52/24/212395224.db2.gz WHUIJTWJYRNJQD-NSHDSACASA-N 1 0 311.313 1.783 20 5 DDBDRO Cc1cccc(C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)c1[N+](=O)[O-] ZINC000261644754 203086533 /nfs/dbraw/zinc/08/65/33/203086533.db2.gz FFQYCIOTFGVPNR-CYBMUJFWSA-N 1 0 318.377 1.023 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CC(=O)NCc1ccco1 ZINC000349965598 284121515 /nfs/dbraw/zinc/12/15/15/284121515.db2.gz LXUMAAWKEXIXRX-UHFFFAOYSA-N 1 0 303.318 1.902 20 5 DDBDRO O=C(N[C@H]1CCC[NH2+]C1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000261969836 203163113 /nfs/dbraw/zinc/16/31/13/203163113.db2.gz CWSJEAFERROLFC-NSHDSACASA-N 1 0 315.333 1.262 20 5 DDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000359301731 299403993 /nfs/dbraw/zinc/40/39/93/299403993.db2.gz IBVUAALAKZKPGO-WOPDTQHZSA-N 1 0 304.350 1.073 20 5 DDBDRO O=C(CNc1ccccc1[N+](=O)[O-])N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262660549 203368561 /nfs/dbraw/zinc/36/85/61/203368561.db2.gz YULGJCXURGKBMJ-NEPJUHHUSA-N 1 0 304.350 1.360 20 5 DDBDRO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000262724532 203393379 /nfs/dbraw/zinc/39/33/79/203393379.db2.gz GSSVGOCMRBYTDN-WDEREUQCSA-N 1 0 318.377 1.992 20 5 DDBDRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000262733281 203394849 /nfs/dbraw/zinc/39/48/49/203394849.db2.gz IFCCNRHITWPUDR-NEPJUHHUSA-N 1 0 306.366 1.145 20 5 DDBDRO C[N@@H+]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)[C@@H](c2ccccc2)C1 ZINC000351486022 284336402 /nfs/dbraw/zinc/33/64/02/284336402.db2.gz LTSBOBKVIUSAIH-UKRRQHHQSA-N 1 0 314.345 1.751 20 5 DDBDRO C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000351486886 284337302 /nfs/dbraw/zinc/33/73/02/284337302.db2.gz YJPGXAFELDWRIB-GXTWGEPZSA-N 1 0 314.345 1.751 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]Cc1ccns1 ZINC001120467398 781964324 /nfs/dbraw/zinc/96/43/24/781964324.db2.gz LGAXDBIEIMFNAO-SNVBAGLBSA-N 1 0 309.347 1.581 20 5 DDBDRO C[C@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1cn[nH]c1 ZINC000274117211 211369699 /nfs/dbraw/zinc/36/96/99/211369699.db2.gz USCGPNITLPBEJA-JTQLQIEISA-N 1 0 303.322 1.632 20 5 DDBDRO C[C@H](CO)[C@H](C)[NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000274042309 211300328 /nfs/dbraw/zinc/30/03/28/211300328.db2.gz ORNJLDWOWZEJMU-BDAKNGLRSA-N 1 0 315.757 1.793 20 5 DDBDRO Cc1ccc(C[N@H+]2CC[C@H]3OCCN(C)[C@H]3C2)cc1[N+](=O)[O-] ZINC000284504887 218055737 /nfs/dbraw/zinc/05/57/37/218055737.db2.gz XXKNHUTVJNGTLR-JKSUJKDBSA-N 1 0 305.378 1.808 20 5 DDBDRO O=C(CC[NH2+][C@@H]1CCN(C2CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000579582593 422794899 /nfs/dbraw/zinc/79/48/99/422794899.db2.gz HFLNZLLSFZPNDX-GFCCVEGCSA-N 1 0 318.377 1.750 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000284669836 218124288 /nfs/dbraw/zinc/12/42/88/218124288.db2.gz GUTZNXJURBHRSG-UONOGXRCSA-N 1 0 307.350 1.400 20 5 DDBDRO NC(=O)C[C@H]1CCCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000339140068 250311765 /nfs/dbraw/zinc/31/17/65/250311765.db2.gz LDAUOCDJSNKIDX-CYBMUJFWSA-N 1 0 307.350 1.704 20 5 DDBDRO CC[NH+]1CCN(CCCNc2ccc([N+](=O)[O-])c(C)n2)CC1 ZINC000268427568 206705664 /nfs/dbraw/zinc/70/56/64/206705664.db2.gz AMELFDLAPJQNBG-UHFFFAOYSA-N 1 0 307.398 1.738 20 5 DDBDRO Cc1cccc(C(=O)NC[C@@](C)(O)CC[NH+](C)C)c1[N+](=O)[O-] ZINC000352107307 284788432 /nfs/dbraw/zinc/78/84/32/284788432.db2.gz PNIMQKRYQBZPGB-HNNXBMFYSA-N 1 0 309.366 1.336 20 5 DDBDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CN(C)CCN2C)cc1[N+](=O)[O-] ZINC000268847717 207015591 /nfs/dbraw/zinc/01/55/91/207015591.db2.gz BQBWEFGGCYOTGC-ZFWWWQNUSA-N 1 0 306.410 1.800 20 5 DDBDRO Cc1ccc(S(=O)(=O)NCC[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000110797546 194359287 /nfs/dbraw/zinc/35/92/87/194359287.db2.gz WQDZFQXOEKVGQP-NSHDSACASA-N 1 0 313.379 1.181 20 5 DDBDRO Cc1cc(C(=O)N[C@@H](CO)C[NH+]2CCCCC2)cc([N+](=O)[O-])c1 ZINC000340801278 251217025 /nfs/dbraw/zinc/21/70/25/251217025.db2.gz ZKXCGPUYRTTYOL-CQSZACIVSA-N 1 0 321.377 1.480 20 5 DDBDRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000340992611 251323317 /nfs/dbraw/zinc/32/33/17/251323317.db2.gz NIMCABNANJMBNF-SECBINFHSA-N 1 0 315.333 1.438 20 5 DDBDRO COc1cc(C(=O)N(C)[C@H]2CC[NH2+]C2)cc([N+](=O)[O-])c1OC ZINC000269150892 207277175 /nfs/dbraw/zinc/27/71/75/207277175.db2.gz QWIQPRBOOOQUGK-JTQLQIEISA-N 1 0 309.322 1.046 20 5 DDBDRO C[NH2+][C@@H]1CCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000269134086 207266352 /nfs/dbraw/zinc/26/63/52/207266352.db2.gz PVTHKPGPGFYWSK-SECBINFHSA-N 1 0 316.317 1.283 20 5 DDBDRO C[C@@H](NC(=O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]C1 ZINC000269229316 207350648 /nfs/dbraw/zinc/35/06/48/207350648.db2.gz VMQUUZQUDIXMRQ-VXGBXAGGSA-N 1 0 307.350 1.478 20 5 DDBDRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C1 ZINC000269254999 207395835 /nfs/dbraw/zinc/39/58/35/207395835.db2.gz HHFRQIROOMJCKM-VXGBXAGGSA-N 1 0 320.393 1.860 20 5 DDBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000119623649 195004844 /nfs/dbraw/zinc/00/48/44/195004844.db2.gz UDMGNNVOXJSSRG-LBPRGKRZSA-N 1 0 320.393 1.885 20 5 DDBDRO O=C1[C@H]([N@H+](CCO)CC2CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000352468359 285072763 /nfs/dbraw/zinc/07/27/63/285072763.db2.gz ROSAXQKVPKRIKD-OAHLLOKOSA-N 1 0 319.361 1.404 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@]1(C)CCO[C@@H]1C ZINC000494237774 533139029 /nfs/dbraw/zinc/13/90/29/533139029.db2.gz MZHXHRJWLUZGTJ-BMIGLBTASA-N 1 0 323.349 1.699 20 5 DDBDRO CC[N@@H+]1CCN(CC(=O)Nc2c(C)cccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000352660765 285204795 /nfs/dbraw/zinc/20/47/95/285204795.db2.gz TVIVGBBDAJDQKS-ZDUSSCGKSA-N 1 0 320.393 1.868 20 5 DDBDRO Cc1nn(C)c(C(=O)N[C@@H](C[NH3+])C2CCCCC2)c1[N+](=O)[O-] ZINC000155632474 197073976 /nfs/dbraw/zinc/07/39/76/197073976.db2.gz MJEIQIQTYWSTSU-NSHDSACASA-N 1 0 309.370 1.274 20 5 DDBDRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000121992735 195387043 /nfs/dbraw/zinc/38/70/43/195387043.db2.gz CQFYLQHHTMQCTA-CHWSQXEVSA-N 1 0 320.393 1.759 20 5 DDBDRO COc1ccc(C(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000435235854 533287357 /nfs/dbraw/zinc/28/73/57/533287357.db2.gz GGRQODJIKHHMJB-GFCCVEGCSA-N 1 0 305.334 1.570 20 5 DDBDRO COc1ccc(CNC(=O)N[C@H](C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000299390966 533631001 /nfs/dbraw/zinc/63/10/01/533631001.db2.gz UIKGLMRPJLOVKZ-LLVKDONJSA-N 1 0 324.381 1.743 20 5 DDBDRO CC[NH+]1C[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])c(NC)n2)[C@@H](C)C1 ZINC000568411613 304292238 /nfs/dbraw/zinc/29/22/38/304292238.db2.gz WGLXCJUVSLFVJF-QWRGUYRKSA-N 1 0 321.381 1.586 20 5 DDBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N[C@H]1CCC[NH2+]C1 ZINC000071397247 296499772 /nfs/dbraw/zinc/49/97/72/296499772.db2.gz YXTZSHCNLIKJOA-VIFPVBQESA-N 1 0 319.770 1.279 20 5 DDBDRO C[NH2+][C@H](C)Cc1noc(-c2cc([N+](=O)[O-])cc3c2OCCO3)n1 ZINC000568984655 304326887 /nfs/dbraw/zinc/32/68/87/304326887.db2.gz PUUSUOOUOSJXPM-MRVPVSSYSA-N 1 0 320.305 1.566 20 5 DDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@]3(CC[NH2+]C3)C2)s1 ZINC000360548347 299686914 /nfs/dbraw/zinc/68/69/14/299686914.db2.gz SYSJRTCYIFEWOP-NSHDSACASA-N 1 0 317.392 1.030 20 5 DDBDRO CC(C)[NH+]1CCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000079489963 407056005 /nfs/dbraw/zinc/05/60/05/407056005.db2.gz PQCFZNGBIKOREL-UHFFFAOYSA-N 1 0 320.393 1.584 20 5 DDBDRO COC(=O)[C@H]1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000066832330 407260611 /nfs/dbraw/zinc/26/06/11/407260611.db2.gz PNXKDQNHYBRLJM-LBPRGKRZSA-N 1 0 308.334 1.859 20 5 DDBDRO CCC[N@H+](C)CC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000063761987 407235061 /nfs/dbraw/zinc/23/50/61/407235061.db2.gz WEHVWNQGHTXWEY-UHFFFAOYSA-N 1 0 320.393 1.585 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H]1CO ZINC000101546691 407310338 /nfs/dbraw/zinc/31/03/38/407310338.db2.gz BZFOTBHEVNHDBE-CYBMUJFWSA-N 1 0 307.350 1.689 20 5 DDBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])[C@H]1CCCCNC1=O ZINC000105612120 407354962 /nfs/dbraw/zinc/35/49/62/407354962.db2.gz NDGJYZRCLCWWTE-ZDUSSCGKSA-N 1 0 307.350 1.574 20 5 DDBDRO C[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C[C@H]1CCCOC1 ZINC000107696096 407378432 /nfs/dbraw/zinc/37/84/32/407378432.db2.gz FCPBRGCAHFHRQX-HIFRSBDPSA-N 1 0 324.377 1.693 20 5 DDBDRO CCCC[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC1 ZINC000127857543 407472360 /nfs/dbraw/zinc/47/23/60/407472360.db2.gz MWNLJSOSPFQVIG-UHFFFAOYSA-N 1 0 322.365 1.690 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000271001292 407462643 /nfs/dbraw/zinc/46/26/43/407462643.db2.gz LQDABOBDYCBZQC-LLVKDONJSA-N 1 0 323.397 1.288 20 5 DDBDRO C[NH+](C)C[C@H]1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000114199934 407551799 /nfs/dbraw/zinc/55/17/99/407551799.db2.gz MAJHDXTVJLBQBU-GFCCVEGCSA-N 1 0 306.366 1.417 20 5 DDBDRO O=C(NC[C@H]1CCC[NH2+]1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000178758081 407586667 /nfs/dbraw/zinc/58/66/67/407586667.db2.gz WORMGTWMBXNGRN-GFCCVEGCSA-N 1 0 315.333 1.262 20 5 DDBDRO COCC[N@H+](C)CCNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000171070434 407587528 /nfs/dbraw/zinc/58/75/28/407587528.db2.gz BRDFNXVDJPYUKS-UHFFFAOYSA-N 1 0 322.365 1.470 20 5 DDBDRO CN(CC(=O)NC[C@H]1CC[N@H+](C)C1)c1ccccc1[N+](=O)[O-] ZINC000266258648 407533972 /nfs/dbraw/zinc/53/39/72/407533972.db2.gz KGHRHIRJXKALHF-GFCCVEGCSA-N 1 0 306.366 1.099 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000261597205 407547282 /nfs/dbraw/zinc/54/72/82/407547282.db2.gz MPQTZOVFTORJSW-LBPRGKRZSA-N 1 0 315.395 1.555 20 5 DDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCC1=CC[NH2+]CC1 ZINC000186288174 407628092 /nfs/dbraw/zinc/62/80/92/407628092.db2.gz BKFUHLYLFCKQMH-UHFFFAOYSA-N 1 0 309.753 1.827 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)CN2CCC[N@@H+](C3CC3)CC2)c1 ZINC000178858401 407630811 /nfs/dbraw/zinc/63/08/11/407630811.db2.gz NVWYJMMKYISOBF-INIZCTEOSA-N 1 0 305.378 1.798 20 5 DDBDRO CCCN(C(=O)CCn1cc([N+](=O)[O-])nc1C)[C@@H]1CC[NH2+]C1 ZINC000178892121 407642608 /nfs/dbraw/zinc/64/26/08/407642608.db2.gz PKRCSRMDVPQFCS-GFCCVEGCSA-N 1 0 309.370 1.090 20 5 DDBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)NCC1=CC[NH2+]CC1 ZINC000186386610 407654146 /nfs/dbraw/zinc/65/41/46/407654146.db2.gz ZUPBIZMCEWKBCV-UHFFFAOYSA-N 1 0 318.377 1.823 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)c1 ZINC000266907306 407670653 /nfs/dbraw/zinc/67/06/53/407670653.db2.gz BOLNDTIPIMBBNL-NXEZZACHSA-N 1 0 308.260 1.179 20 5 DDBDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000115432799 407679722 /nfs/dbraw/zinc/67/97/22/407679722.db2.gz NPEXMZSAIMIWHV-CYBMUJFWSA-N 1 0 321.377 1.774 20 5 DDBDRO O=C(Nc1ccc(N2CC[NH2+]CC2)cn1)c1ccc([N+](=O)[O-])o1 ZINC000261967367 407694671 /nfs/dbraw/zinc/69/46/71/407694671.db2.gz YLVAIDZAGKWCSZ-UHFFFAOYSA-N 1 0 317.305 1.245 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@H](Oc3ccncc3)C2)n1 ZINC000131842881 407756229 /nfs/dbraw/zinc/75/62/29/407756229.db2.gz FXLFYXUYRUZSKX-ZDUSSCGKSA-N 1 0 303.322 1.340 20 5 DDBDRO CC(C)(C)OC(=O)C1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000267097139 407746726 /nfs/dbraw/zinc/74/67/26/407746726.db2.gz RXQYEFFAERJXDJ-UHFFFAOYSA-N 1 0 324.381 1.845 20 5 DDBDRO O=C(NC1CC[NH2+]CC1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000262250893 407776573 /nfs/dbraw/zinc/77/65/73/407776573.db2.gz RZVZDKNGEKOOHB-UHFFFAOYSA-N 1 0 315.333 1.262 20 5 DDBDRO Nc1c(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cccc1[N+](=O)[O-] ZINC000267248824 407807030 /nfs/dbraw/zinc/80/70/30/407807030.db2.gz GFBSVEKXBJOHPB-VXGBXAGGSA-N 1 0 304.350 1.534 20 5 DDBDRO CCc1nn(C)c(N2CC[NH+](C3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000179601924 407812010 /nfs/dbraw/zinc/81/20/10/407812010.db2.gz DZYNCULHSIOZPI-UHFFFAOYSA-N 1 0 323.397 1.192 20 5 DDBDRO COCC[NH2+]CCNC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000237312852 407813855 /nfs/dbraw/zinc/81/38/55/407813855.db2.gz CEANPWPGTNAPMT-HWKANZROSA-N 1 0 311.313 1.099 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCC([NH3+])CC1 ZINC000237662694 407835272 /nfs/dbraw/zinc/83/52/72/407835272.db2.gz NVBSXVXMCDVTTM-UHFFFAOYSA-N 1 0 313.379 1.323 20 5 DDBDRO COc1ccc(CSCC(=O)N[C@@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000262527484 407859695 /nfs/dbraw/zinc/85/96/95/407859695.db2.gz LRCMHGVJWGIUFR-VIFPVBQESA-N 1 0 313.379 1.300 20 5 DDBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000262587173 407874136 /nfs/dbraw/zinc/87/41/36/407874136.db2.gz ZWRWMYPKOMWTMG-CZUORRHYSA-N 1 0 304.394 1.635 20 5 DDBDRO [NH3+][C@@H](CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)C1CC1 ZINC000238046056 407874260 /nfs/dbraw/zinc/87/42/60/407874260.db2.gz NXVXDJZMYRLPPM-LBPRGKRZSA-N 1 0 315.333 1.248 20 5 DDBDRO [NH3+]CC1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000238037512 407874569 /nfs/dbraw/zinc/87/45/69/407874569.db2.gz CIWIINKTPQXYCE-UHFFFAOYSA-N 1 0 305.381 1.016 20 5 DDBDRO Nc1ncc([N+](=O)[O-])cc1C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000180521146 407894612 /nfs/dbraw/zinc/89/46/12/407894612.db2.gz BXWICXZYBMYLEB-UHFFFAOYSA-N 1 0 319.365 1.272 20 5 DDBDRO CC1CC[NH+](CCCNC(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000180503900 407894848 /nfs/dbraw/zinc/89/48/48/407894848.db2.gz GCUWODGXHTWCPN-UHFFFAOYSA-N 1 0 321.381 1.424 20 5 DDBDRO CNC(=O)c1ccc(N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000268171917 407925329 /nfs/dbraw/zinc/92/53/29/407925329.db2.gz QTWXJGVYMYZILG-YGRLFVJLSA-N 1 0 318.377 1.849 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000245443750 407984607 /nfs/dbraw/zinc/98/46/07/407984607.db2.gz JCBCKDAIWRZTBT-NEPJUHHUSA-N 1 0 319.361 1.912 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1N(CC[NH+](C)C)Cc1ccccc1 ZINC000268304620 407990772 /nfs/dbraw/zinc/99/07/72/407990772.db2.gz IETBNHJAOXNKAR-UHFFFAOYSA-N 1 0 303.366 1.897 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCCSCC1 ZINC000273170913 408091726 /nfs/dbraw/zinc/09/17/26/408091726.db2.gz OTZNHASXHUBTOZ-LBPRGKRZSA-N 1 0 312.391 1.773 20 5 DDBDRO C[C@@H]([NH2+][C@H](CC(N)=O)C1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000181934296 408055903 /nfs/dbraw/zinc/05/59/03/408055903.db2.gz GRWSKKQOZHZGRM-IAQYHMDHSA-N 1 0 321.377 1.916 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@@H]([NH3+])C[C@@H]1C ZINC000156121054 408241506 /nfs/dbraw/zinc/24/15/06/408241506.db2.gz DIWPTWGFPOLLPZ-WDEREUQCSA-N 1 0 313.379 1.404 20 5 DDBDRO Cn1ccc(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000273498732 408223677 /nfs/dbraw/zinc/22/36/77/408223677.db2.gz OXRLAHPLUKLHNR-UHFFFAOYSA-N 1 0 323.374 1.497 20 5 DDBDRO C[C@H](O)[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000183196585 408350593 /nfs/dbraw/zinc/35/05/93/408350593.db2.gz QYLOCRBARMMPDC-SRVKXCTJSA-N 1 0 307.350 1.625 20 5 DDBDRO C[NH+]1CCN(CCCNC(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000264014657 408344816 /nfs/dbraw/zinc/34/48/16/408344816.db2.gz WFVOASOODVWILC-UHFFFAOYSA-N 1 0 312.395 1.024 20 5 DDBDRO C[C@H](O)[C@H]1CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000183225433 408360455 /nfs/dbraw/zinc/36/04/55/408360455.db2.gz QQHCYTHPSTUFMN-OBJOEFQTSA-N 1 0 310.350 1.037 20 5 DDBDRO Nc1ccc(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000171451207 162219526 /nfs/dbraw/zinc/21/95/26/162219526.db2.gz ODDRGIQDRQGUNL-LBPRGKRZSA-N 1 0 304.350 1.487 20 5 DDBDRO CN([C@@H]1CCCN(C)C1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000173406634 162337964 /nfs/dbraw/zinc/33/79/64/162337964.db2.gz JJFQLORPXDGJJN-SECBINFHSA-N 1 0 319.408 1.371 20 5 DDBDRO Cc1ccc(S(=O)(=O)N(C)[C@@H](C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000159944918 408445697 /nfs/dbraw/zinc/44/56/97/408445697.db2.gz AOJULSPCAGSGFM-ZDUSSCGKSA-N 1 0 313.379 1.261 20 5 DDBDRO Cc1nn(C)c(C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)c1[N+](=O)[O-] ZINC000247318325 408448634 /nfs/dbraw/zinc/44/86/34/408448634.db2.gz MIJYZYZAUUQHTQ-MWLCHTKSSA-N 1 0 309.370 1.095 20 5 DDBDRO CC(C)[C@H]1CN(C)CCN1C(=O)c1cccc([N+](=O)[O-])c1N ZINC000176828351 408452992 /nfs/dbraw/zinc/45/29/92/408452992.db2.gz JNMIMAGQVZHVGZ-CYBMUJFWSA-N 1 0 306.366 1.589 20 5 DDBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000247340720 408453792 /nfs/dbraw/zinc/45/37/92/408453792.db2.gz JFAWDLMMMDJZQS-SWLSCSKDSA-N 1 0 305.378 1.936 20 5 DDBDRO CC(C)[C@H]1C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCS1 ZINC000247237118 408435641 /nfs/dbraw/zinc/43/56/41/408435641.db2.gz DKFYHXZEQKVNIN-CHWSQXEVSA-N 1 0 314.411 1.226 20 5 DDBDRO Cc1nn(CCC(=O)N2CCC[C@@H]([NH+](C)C)C2)c(C)c1[N+](=O)[O-] ZINC000264464606 408502293 /nfs/dbraw/zinc/50/22/93/408502293.db2.gz ZIKRCJSBJXZGIR-CYBMUJFWSA-N 1 0 323.397 1.351 20 5 DDBDRO C[C@H]1C[C@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)C[N@@H+]1C1CC1 ZINC000177087994 408516030 /nfs/dbraw/zinc/51/60/30/408516030.db2.gz LOLMANGLGOBSRZ-RYUDHWBXSA-N 1 0 319.361 1.715 20 5 DDBDRO Nc1c(C(=O)N2CCC([NH+]3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000176430825 162537485 /nfs/dbraw/zinc/53/74/85/162537485.db2.gz BVSHXJYQXFLRSK-UHFFFAOYSA-N 1 0 318.377 1.877 20 5 DDBDRO CC[N@H+](CCO)CCNC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000183974565 408522286 /nfs/dbraw/zinc/52/22/86/408522286.db2.gz ZPGWGILPUQLABY-BQYQJAHWSA-N 1 0 307.350 1.038 20 5 DDBDRO COCC1(O)CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000270414063 408526065 /nfs/dbraw/zinc/52/60/65/408526065.db2.gz YCVWQDJWIUWYSC-UHFFFAOYSA-N 1 0 310.350 1.447 20 5 DDBDRO C[C@H](O)C[C@H]1CCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248456629 408571010 /nfs/dbraw/zinc/57/10/10/408571010.db2.gz LTJHUTQBLAQSHH-BFHYXJOUSA-N 1 0 324.377 1.570 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)[C@@H]1CCN(C)C1=O ZINC000265628590 408719852 /nfs/dbraw/zinc/71/98/52/408719852.db2.gz DNYNDRBTWLAJLD-CYBMUJFWSA-N 1 0 320.349 1.004 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)NCC2([NH+](C)C)CCC2)c1 ZINC000275852775 408696380 /nfs/dbraw/zinc/69/63/80/408696380.db2.gz IDPDFYFCOQRPFV-UHFFFAOYSA-N 1 0 307.350 1.818 20 5 DDBDRO COC[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000265733792 408762402 /nfs/dbraw/zinc/76/24/02/408762402.db2.gz AJJBRIDONRNKRX-LLVKDONJSA-N 1 0 308.334 1.930 20 5 DDBDRO CCOc1ccc(C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1[N+](=O)[O-] ZINC000185182174 408777153 /nfs/dbraw/zinc/77/71/53/408777153.db2.gz QTSBCAHLJUAUCG-XQQFMLRXSA-N 1 0 319.361 1.803 20 5 DDBDRO Cn1nccc1CC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000276314705 408833830 /nfs/dbraw/zinc/83/38/30/408833830.db2.gz NEAZHFFJTBFHPT-UHFFFAOYSA-N 1 0 315.377 1.693 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@@H]2CC[N@@H+](C)C2)c1 ZINC000280855702 408847458 /nfs/dbraw/zinc/84/74/58/408847458.db2.gz ATSSVRGAFYYGMU-ZDUSSCGKSA-N 1 0 321.377 1.740 20 5 DDBDRO CO[C@@H]1CC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000281674564 408907842 /nfs/dbraw/zinc/90/78/42/408907842.db2.gz LWIYKCOUAJRHLT-BFHYXJOUSA-N 1 0 324.377 1.834 20 5 DDBDRO CCN(CCC[NH+]1CCCC1)C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000188106996 163041396 /nfs/dbraw/zinc/04/13/96/163041396.db2.gz HSOSTUYKJORNLX-UHFFFAOYSA-N 1 0 321.381 1.520 20 5 DDBDRO C[NH2+][C@H](C)CNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000286053632 408915409 /nfs/dbraw/zinc/91/54/09/408915409.db2.gz LKCTWOWPDSHMCX-SNVBAGLBSA-N 1 0 303.322 1.118 20 5 DDBDRO O=C(NCCC[NH2+]Cc1cccnc1)c1csc([N+](=O)[O-])c1 ZINC000238049651 163397040 /nfs/dbraw/zinc/39/70/40/163397040.db2.gz CPHMOLWYJLNFFO-UHFFFAOYSA-N 1 0 320.374 1.961 20 5 DDBDRO C[NH+](C)CCN1CCC(Nc2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000286264267 408951766 /nfs/dbraw/zinc/95/17/66/408951766.db2.gz WBRLPISQMJWFSK-UHFFFAOYSA-N 1 0 307.398 1.615 20 5 DDBDRO C[N@@H+]1CC[C@]2(CCN(Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)C1 ZINC000292073888 408974651 /nfs/dbraw/zinc/97/46/51/408974651.db2.gz DVEUVNAISZXJPD-INIZCTEOSA-N 1 0 318.377 1.221 20 5 DDBDRO CCCN(CCC[NH+](C)C)C(=O)c1[nH]nc(CC)c1[N+](=O)[O-] ZINC000277972933 409043471 /nfs/dbraw/zinc/04/34/71/409043471.db2.gz NOUZWXGHZLDELY-UHFFFAOYSA-N 1 0 311.386 1.684 20 5 DDBDRO CCOCC[NH+]1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000277997902 409048266 /nfs/dbraw/zinc/04/82/66/409048266.db2.gz ZZYCZAWKUGTGHG-UHFFFAOYSA-N 1 0 319.365 1.630 20 5 DDBDRO O=C(CC[N@H+]1CCC[C@H](O)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000293297327 409084367 /nfs/dbraw/zinc/08/43/67/409084367.db2.gz WICKTNGMKKNZPC-LBPRGKRZSA-N 1 0 307.350 1.770 20 5 DDBDRO C[N@H+]1C[C@H]2CN(C(=O)COc3ccc([N+](=O)[O-])c(F)c3)C[C@H]2C1 ZINC000278962796 409122238 /nfs/dbraw/zinc/12/22/38/409122238.db2.gz AZYDEOVYNVMSQR-PHIMTYICSA-N 1 0 323.324 1.133 20 5 DDBDRO C[C@@H](NC[C@H](O)C[NH+]1CCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293607221 409147646 /nfs/dbraw/zinc/14/76/46/409147646.db2.gz GIUCNAASJYYCCI-YPMHNXCESA-N 1 0 308.382 1.284 20 5 DDBDRO C[C@@H]([NH2+]CCCN1CCOCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293628301 409150449 /nfs/dbraw/zinc/15/04/49/409150449.db2.gz HIYZEHGJDCTADA-GFCCVEGCSA-N 1 0 308.382 1.550 20 5 DDBDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)C2)C1 ZINC000293807813 409183725 /nfs/dbraw/zinc/18/37/25/409183725.db2.gz AMAJZJICWOGWFQ-OAHLLOKOSA-N 1 0 320.349 1.253 20 5 DDBDRO C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)C[N@@H+]1C1CC1 ZINC000279492328 409223747 /nfs/dbraw/zinc/22/37/47/409223747.db2.gz RSEFPJUUPNLAIC-BDAKNGLRSA-N 1 0 322.340 1.671 20 5 DDBDRO C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)C[N@@H+]1C1CC1 ZINC000279492332 409223809 /nfs/dbraw/zinc/22/38/09/409223809.db2.gz RSEFPJUUPNLAIC-DTWKUNHWSA-N 1 0 322.340 1.671 20 5 DDBDRO C[C@H]([NH2+]C1CC1)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000294696765 409296895 /nfs/dbraw/zinc/29/68/95/409296895.db2.gz GIQGHCOVRFYNIZ-LBPRGKRZSA-N 1 0 318.377 1.384 20 5 DDBDRO CN1CCO[C@H]2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000284336121 409323152 /nfs/dbraw/zinc/32/31/52/409323152.db2.gz CFYJFQJKSASJBO-GJZGRUSLSA-N 1 0 319.361 1.069 20 5 DDBDRO Cc1ccc(C(=O)NCCC[N@@H+](C)CCN(C)C)cc1[N+](=O)[O-] ZINC000290221571 409327636 /nfs/dbraw/zinc/32/76/36/409327636.db2.gz VDIMABJBUDMVGF-UHFFFAOYSA-N 1 0 322.409 1.517 20 5 DDBDRO COCCOC[C@@H](O)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000295194386 409367900 /nfs/dbraw/zinc/36/79/00/409367900.db2.gz LTQMLPHXCKJHAP-LBPRGKRZSA-N 1 0 312.366 1.443 20 5 DDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(C)(C)C[NH3+] ZINC000262779490 163878204 /nfs/dbraw/zinc/87/82/04/163878204.db2.gz YLZAVFGYCRESGR-UHFFFAOYSA-N 1 0 301.368 1.173 20 5 DDBDRO C[N@@H+]1CC[C@@H]2OCCN(c3ncc([N+](=O)[O-])cc3Cl)[C@H]2C1 ZINC000284571801 409350832 /nfs/dbraw/zinc/35/08/32/409350832.db2.gz OKWSUCKTVFRBON-RYUDHWBXSA-N 1 0 312.757 1.553 20 5 DDBDRO Cc1c(Cl)cc(S(=O)(=O)N[C@H](C)CC[NH3+])cc1[N+](=O)[O-] ZINC000312432341 164008113 /nfs/dbraw/zinc/00/81/13/164008113.db2.gz BGRZGSLZXMZHMA-SSDOTTSWSA-N 1 0 321.786 1.572 20 5 DDBDRO Nc1c(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc(F)cc1[N+](=O)[O-] ZINC000324549124 164050990 /nfs/dbraw/zinc/05/09/90/164050990.db2.gz YAEUHGAPYHMVND-MNOVXSKESA-N 1 0 322.340 1.673 20 5 DDBDRO CS[C@H]1CC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000296233464 409473806 /nfs/dbraw/zinc/47/38/06/409473806.db2.gz KTIWJEMKZCPREF-NEPJUHHUSA-N 1 0 312.391 1.772 20 5 DDBDRO C[N@@H+]1CC[C@@H]2OCCN(Cc3cc([O-])ccc3[N+](=O)[O-])[C@@H]2C1 ZINC000407998990 164193725 /nfs/dbraw/zinc/19/37/25/164193725.db2.gz SORWLXFFJBWCFM-CABCVRRESA-N 1 0 307.350 1.205 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[N@@H+](C)CC[C@@H]1C ZINC000354006987 409596434 /nfs/dbraw/zinc/59/64/34/409596434.db2.gz OFVGNGXVFMHWQK-NSHDSACASA-N 1 0 309.370 1.042 20 5 DDBDRO C[C@]1(O)CCOC[C@H]1[C@@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000331623724 409707608 /nfs/dbraw/zinc/70/76/08/409707608.db2.gz YEXKBUXXPHEAMA-KKUMJFAQSA-N 1 0 324.381 1.043 20 5 DDBDRO CC[C@@H](C)[NH+]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000296792657 409642375 /nfs/dbraw/zinc/64/23/75/409642375.db2.gz DLIPKCUPYCVPCA-SNVBAGLBSA-N 1 0 324.356 1.872 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2CCc3c2cccc3O)c1 ZINC000296962570 409730280 /nfs/dbraw/zinc/73/02/80/409730280.db2.gz YIRUTSBKPVIQOW-RISCZKNCSA-N 1 0 318.333 1.135 20 5 DDBDRO C[C@@H](CCc1ccco1)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000314919338 409834264 /nfs/dbraw/zinc/83/42/64/409834264.db2.gz HMLQXILZMISTFW-WCQYABFASA-N 1 0 308.338 1.356 20 5 DDBDRO C[N@H+](CCNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)C1CC1 ZINC000342896436 409982099 /nfs/dbraw/zinc/98/20/99/409982099.db2.gz CRTFMFZLUSHRIA-UHFFFAOYSA-N 1 0 302.334 1.900 20 5 DDBDRO C[C@@H]1C[C@H](NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC[N@@H+]1C ZINC000332239810 410007223 /nfs/dbraw/zinc/00/72/23/410007223.db2.gz IOIPQZRZMLZKKB-NXEZZACHSA-N 1 0 317.349 1.684 20 5 DDBDRO COc1ccc(CNC(=O)NCC[N@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000338464306 410008067 /nfs/dbraw/zinc/00/80/67/410008067.db2.gz NGNVHYKVVZUHRH-UHFFFAOYSA-N 1 0 324.381 1.743 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)NCCC[NH+](C)C ZINC000297876682 410034746 /nfs/dbraw/zinc/03/47/46/410034746.db2.gz NAFVEQVFABCCSL-UHFFFAOYSA-N 1 0 322.365 1.218 20 5 DDBDRO CC[NH+](CC)C[C@H](C)NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000338815447 410039497 /nfs/dbraw/zinc/03/94/97/410039497.db2.gz KUJFZDJVXPRXAK-NSHDSACASA-N 1 0 311.386 1.373 20 5 DDBDRO C[NH+](C)[C@H]1CC[C@@H](NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000332233682 410000812 /nfs/dbraw/zinc/00/08/12/410000812.db2.gz NHRXSTNEJUEKCJ-MNOVXSKESA-N 1 0 321.333 1.536 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCCC[NH+](C)C ZINC000298495633 410255119 /nfs/dbraw/zinc/25/51/19/410255119.db2.gz OBVHPECCJRURCJ-UHFFFAOYSA-N 1 0 301.368 1.133 20 5 DDBDRO C[C@@H]1CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H](C)[NH+]1C ZINC000339618125 410334154 /nfs/dbraw/zinc/33/41/54/410334154.db2.gz BJBBLKOFJMXOHP-GHMZBOCLSA-N 1 0 306.366 1.218 20 5 DDBDRO COc1ccc(NC(=O)CN2CCC[N@H+](C)CC2)c([N+](=O)[O-])c1 ZINC000298679325 410343101 /nfs/dbraw/zinc/34/31/01/410343101.db2.gz SLLDAYUTAFGVBG-UHFFFAOYSA-N 1 0 322.365 1.179 20 5 DDBDRO CN1CC[C@@](O)(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000358254178 410420063 /nfs/dbraw/zinc/42/00/63/410420063.db2.gz PDAYITXRDGJESZ-DOTOQJQBSA-N 1 0 319.405 1.572 20 5 DDBDRO CC[N@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)CCOC ZINC000347338267 410482387 /nfs/dbraw/zinc/48/23/87/410482387.db2.gz MBAHOWATIWVEDB-UHFFFAOYSA-N 1 0 323.349 1.861 20 5 DDBDRO C[C@]12CCC[N@@H+]1C[C@@H](c1noc(-c3ccc([N+](=O)[O-])[nH]3)n1)OC2 ZINC000347343720 410484233 /nfs/dbraw/zinc/48/42/33/410484233.db2.gz SSYNBEYMYRCTFS-IINYFYTJSA-N 1 0 319.321 1.899 20 5 DDBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000359442578 410663641 /nfs/dbraw/zinc/66/36/41/410663641.db2.gz SJTWSLGVEXPTBZ-QWRGUYRKSA-N 1 0 301.302 1.632 20 5 DDBDRO CCOc1cc(N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000579935187 422859524 /nfs/dbraw/zinc/85/95/24/422859524.db2.gz PYMQBFCQTDSNTL-CABCVRRESA-N 1 0 321.377 1.903 20 5 DDBDRO COC[C@@H]([NH2+]CC(=O)Nc1c(C)cccc1[N+](=O)[O-])C1CC1 ZINC000347805631 410730479 /nfs/dbraw/zinc/73/04/79/410730479.db2.gz PQYFOUAHQMJYHW-GFCCVEGCSA-N 1 0 307.350 1.856 20 5 DDBDRO C[C@@H]1CCC[N@H+](CCNc2ccc3ncc([N+](=O)[O-])n3n2)C1 ZINC000301915424 410830427 /nfs/dbraw/zinc/83/04/27/410830427.db2.gz ISDNIPOFSDPNDM-LLVKDONJSA-N 1 0 304.354 1.781 20 5 DDBDRO Cc1c([C@H](C)[NH2+]C[C@@H]2CN(C)CCN2C)cccc1[N+](=O)[O-] ZINC000330673533 410866108 /nfs/dbraw/zinc/86/61/08/410866108.db2.gz HKGPOMFCILMVPH-UONOGXRCSA-N 1 0 306.410 1.800 20 5 DDBDRO O=[N+]([O-])c1ccccc1OCC[NH2+][C@@H](CO)C1CCOCC1 ZINC000359876697 410929441 /nfs/dbraw/zinc/92/94/41/410929441.db2.gz OYVFXALTJHBCOS-ZDUSSCGKSA-N 1 0 310.350 1.351 20 5 DDBDRO C[C@@H]1C[C@H](CO)CC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000344121276 410971237 /nfs/dbraw/zinc/97/12/37/410971237.db2.gz DWVZTYJUKVMUTE-GHMZBOCLSA-N 1 0 307.350 1.287 20 5 DDBDRO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000348522942 410997024 /nfs/dbraw/zinc/99/70/24/410997024.db2.gz AQSBBLMXRRVNSX-NWDGAFQWSA-N 1 0 307.350 1.559 20 5 DDBDRO C[NH+](C)C[C@H]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000331419822 411081018 /nfs/dbraw/zinc/08/10/18/411081018.db2.gz DUIHWHHABUUXEW-LLVKDONJSA-N 1 0 303.366 1.855 20 5 DDBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@H]2C[C@H](O)C2(C)C)cccc1[N+](=O)[O-] ZINC000580446424 422934323 /nfs/dbraw/zinc/93/43/23/422934323.db2.gz LDMKTLBFGMTLTP-BPNCWPANSA-N 1 0 321.377 1.979 20 5 DDBDRO C[NH+](C)C[C@@](C)(O)CNc1ccc2ncccc2c1[N+](=O)[O-] ZINC000133039075 196306768 /nfs/dbraw/zinc/30/67/68/196306768.db2.gz ZLFRMBGERXAIHX-HNNXBMFYSA-N 1 0 304.350 1.868 20 5 DDBDRO C[C@H]1C[C@H](NC(=O)NCCc2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000417949085 225518972 /nfs/dbraw/zinc/51/89/72/225518972.db2.gz UUWWHISDHBOVIW-WCQYABFASA-N 1 0 306.366 1.577 20 5 DDBDRO [NH3+][C@H](CNC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1)C1CC1 ZINC000418492749 225759505 /nfs/dbraw/zinc/75/95/05/225759505.db2.gz VLFQKUBUFQJXFK-CYBMUJFWSA-N 1 0 320.349 1.236 20 5 DDBDRO CN(CC[C@H]1CCCC[N@@H+]1C)c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290501275 221701920 /nfs/dbraw/zinc/70/19/20/221701920.db2.gz ASWZBRGHZRGWAD-LLVKDONJSA-N 1 0 321.381 1.399 20 5 DDBDRO O=C(c1ccc([N+](=O)[O-])cn1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000366142785 418433330 /nfs/dbraw/zinc/43/33/30/418433330.db2.gz MWLGCYLOZJSTGT-ZDUSSCGKSA-N 1 0 304.350 1.690 20 5 DDBDRO Cc1cc(S(=O)(=O)N[C@@H]2CCCC[C@H]2[NH3+])ccc1[N+](=O)[O-] ZINC000178898319 221883547 /nfs/dbraw/zinc/88/35/47/221883547.db2.gz BUWPZYAMPGSCNS-VXGBXAGGSA-N 1 0 313.379 1.451 20 5 DDBDRO C[NH+]1CCC2(CCCN(C(=O)c3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000374109538 418489897 /nfs/dbraw/zinc/48/98/97/418489897.db2.gz SNOIQNLWWRMBIL-UHFFFAOYSA-N 1 0 318.377 1.938 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCC(OCC3CC3)CC2)c1 ZINC000374129218 418491527 /nfs/dbraw/zinc/49/15/27/418491527.db2.gz GSKQCOUNEAPCFB-AWEZNQCLSA-N 1 0 324.381 1.043 20 5 DDBDRO COc1ccc(CSCC(=O)NC[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000194935529 418551559 /nfs/dbraw/zinc/55/15/59/418551559.db2.gz DPNPOVDXSDFJBN-SECBINFHSA-N 1 0 313.379 1.300 20 5 DDBDRO O=[N+]([O-])c1cnccc1N1CC[NH+](CC2CCOCC2)CC1 ZINC000360982411 418560607 /nfs/dbraw/zinc/56/06/07/418560607.db2.gz BLCPBUIIOLOGIZ-UHFFFAOYSA-N 1 0 306.366 1.538 20 5 DDBDRO CC1(C)[C@@H](O)CC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000361403210 418645895 /nfs/dbraw/zinc/64/58/95/418645895.db2.gz NFYCZFSURSATDG-JSGCOSHPSA-N 1 0 310.350 1.180 20 5 DDBDRO [NH3+][C@H]1CCC[C@]12CCN(C(=O)c1ccc([N+](=O)[O-])c([O-])c1)C2 ZINC000367648207 418619089 /nfs/dbraw/zinc/61/90/89/418619089.db2.gz GGNKNGMSZAKUOD-DZGCQCFKSA-N 1 0 305.334 1.644 20 5 DDBDRO CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000368222502 418706011 /nfs/dbraw/zinc/70/60/11/418706011.db2.gz KUWRLMNWVPIAED-GJZGRUSLSA-N 1 0 305.378 1.888 20 5 DDBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[NH+]([C@H]2CCSC2)CC1 ZINC000361958729 418730993 /nfs/dbraw/zinc/73/09/93/418730993.db2.gz KFSNEVLCCOVBJD-LBPRGKRZSA-N 1 0 308.407 1.926 20 5 DDBDRO O=C(CCn1cc([N+](=O)[O-])cn1)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000371232345 418770347 /nfs/dbraw/zinc/77/03/47/418770347.db2.gz RUZGAKOTKBIQSL-TZMCWYRMSA-N 1 0 321.381 1.172 20 5 DDBDRO COc1cc(C(=O)N[C@H]2CCC[C@H]2C[NH3+])cc([N+](=O)[O-])c1C ZINC000422849232 227218331 /nfs/dbraw/zinc/21/83/31/227218331.db2.gz BQITWYUBYAYYCJ-JQWIXIFHSA-N 1 0 307.350 1.769 20 5 DDBDRO Cc1cncn1C1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000365568547 418876441 /nfs/dbraw/zinc/87/64/41/418876441.db2.gz ZGJUYYVRPJLDOE-UHFFFAOYSA-N 1 0 318.337 1.160 20 5 DDBDRO C[N@@H+]1CCC[C@H](N2CCN(c3cc(F)ccc3[N+](=O)[O-])CC2)C1 ZINC000365100675 418837285 /nfs/dbraw/zinc/83/72/85/418837285.db2.gz PPFUCTDQZMEIDH-AWEZNQCLSA-N 1 0 322.384 1.950 20 5 DDBDRO C[C@H]1[C@H](C)[N@H+](C)CCN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411430317 418903388 /nfs/dbraw/zinc/90/33/88/418903388.db2.gz OALBNPRODBTTJM-STQMWFEESA-N 1 0 320.393 1.948 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000365249228 418846252 /nfs/dbraw/zinc/84/62/52/418846252.db2.gz PZTQGNJCHGFBFZ-NWDGAFQWSA-N 1 0 319.361 1.960 20 5 DDBDRO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000372871584 418911481 /nfs/dbraw/zinc/91/14/81/418911481.db2.gz QSCUGXZZQZQJPX-NOZJJQNGSA-N 1 0 315.333 1.295 20 5 DDBDRO COc1cc(C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)ccc1[N+](=O)[O-] ZINC000372912998 418913787 /nfs/dbraw/zinc/91/37/87/418913787.db2.gz ZSCAJTGOTZSQEH-JQWIXIFHSA-N 1 0 305.334 1.427 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@](O)(C2CC2)C1 ZINC000365838410 418914743 /nfs/dbraw/zinc/91/47/43/418914743.db2.gz NVNCRWPYYQOHNM-MRXNPFEDSA-N 1 0 319.361 1.689 20 5 DDBDRO COc1ccc(C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)cc1[N+](=O)[O-] ZINC000373055490 418924977 /nfs/dbraw/zinc/92/49/77/418924977.db2.gz KFWZWZPDUQCYEJ-JQWIXIFHSA-N 1 0 305.334 1.427 20 5 DDBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)NCC1=CC[NH2+]CC1 ZINC000417941147 419403450 /nfs/dbraw/zinc/40/34/50/419403450.db2.gz MIPKTZFPNNNDMP-UHFFFAOYSA-N 1 0 304.350 1.356 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCC[C@@H]2CCO)c1 ZINC000426254578 419423797 /nfs/dbraw/zinc/42/37/97/419423797.db2.gz DZLRASKILOYYJZ-TZMCWYRMSA-N 1 0 310.350 1.181 20 5 DDBDRO CN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C[C@@H]1CCC[N@@H+]1C ZINC000420996871 419431387 /nfs/dbraw/zinc/43/13/87/419431387.db2.gz GHYQFRNBLAXINB-ZDUSSCGKSA-N 1 0 306.366 1.220 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CC[C@]12CCOC2 ZINC000421010948 419446638 /nfs/dbraw/zinc/44/66/38/419446638.db2.gz DBFUSZYEFKYTHY-IUODEOHRSA-N 1 0 308.334 1.199 20 5 DDBDRO C[C@H](NC(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1[N+](=O)[O-] ZINC000417988177 419453108 /nfs/dbraw/zinc/45/31/08/419453108.db2.gz RVMDRWJGCLDJTM-AVGNSLFASA-N 1 0 318.377 1.907 20 5 DDBDRO CC[NH2+]CCNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000418002024 419463862 /nfs/dbraw/zinc/46/38/62/419463862.db2.gz YDMRTLMHLNTRQP-UHFFFAOYSA-N 1 0 314.773 1.699 20 5 DDBDRO O=[N+]([O-])c1cccc(OCC[NH2+][C@@H](CO)[C@@H]2CCCOC2)c1 ZINC000411984341 419543605 /nfs/dbraw/zinc/54/36/05/419543605.db2.gz CPXPDSGMFVGGQS-DOMZBBRYSA-N 1 0 310.350 1.351 20 5 DDBDRO COC1([C@@H](C)[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCC1 ZINC000412021937 419563388 /nfs/dbraw/zinc/56/33/88/419563388.db2.gz OEQYWLFVUVQSGO-CHWSQXEVSA-N 1 0 324.377 1.882 20 5 DDBDRO Cc1c(CNC(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)cccc1[N+](=O)[O-] ZINC000418076188 419514374 /nfs/dbraw/zinc/51/43/74/419514374.db2.gz GGAKGYRCFXDHKI-KGLIPLIRSA-N 1 0 318.377 1.939 20 5 DDBDRO COc1cc(CN[C@@H]2CC[NH2+][C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000414959009 419894528 /nfs/dbraw/zinc/89/45/28/419894528.db2.gz WWBABLRCQODEJJ-CMPLNLGQSA-N 1 0 309.366 1.842 20 5 DDBDRO C[C@@H]1COCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000432357657 229098292 /nfs/dbraw/zinc/09/82/92/229098292.db2.gz MHQSGRAFIUVTPA-YGRLFVJLSA-N 1 0 308.334 1.976 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000299470095 229136900 /nfs/dbraw/zinc/13/69/00/229136900.db2.gz BHEQUHMMTZGVCE-STQMWFEESA-N 1 0 321.381 1.233 20 5 DDBDRO COc1ccc(OCCN(C2CC2)[C@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000435244062 229366214 /nfs/dbraw/zinc/36/62/14/229366214.db2.gz ZAMSIDZNWDMAKE-ZDUSSCGKSA-N 1 0 321.377 1.809 20 5 DDBDRO COc1ccc(NC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000415443185 420067527 /nfs/dbraw/zinc/06/75/27/420067527.db2.gz QTWLMTDAZIQLTQ-GHMZBOCLSA-N 1 0 320.349 1.677 20 5 DDBDRO CC[NH2+]CC1CCN(C(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000415379002 420042485 /nfs/dbraw/zinc/04/24/85/420042485.db2.gz DCXDACNRCILQLG-UHFFFAOYSA-N 1 0 307.354 1.265 20 5 DDBDRO C[C@@H]1[C@H]([NH3+])CCN1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000423653074 420114973 /nfs/dbraw/zinc/11/49/73/420114973.db2.gz YMPSBCRHFZMONJ-ZYHUDNBSSA-N 1 0 315.333 1.342 20 5 DDBDRO COc1cc(C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)cc([N+](=O)[O-])c1C ZINC000423673796 420122569 /nfs/dbraw/zinc/12/25/69/420122569.db2.gz AKFRITHVQCCXMR-DGCLKSJQSA-N 1 0 319.361 1.736 20 5 DDBDRO CCOC(=O)c1cc(C(=O)NC[C@H]([NH3+])CC)cc([N+](=O)[O-])c1 ZINC000423680137 420125279 /nfs/dbraw/zinc/12/52/79/420125279.db2.gz MXDPYNMGSCAMQJ-LLVKDONJSA-N 1 0 309.322 1.239 20 5 DDBDRO [NH3+]C[C@H]1CN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CCCO1 ZINC000415633779 420131679 /nfs/dbraw/zinc/13/16/79/420131679.db2.gz RCERYJHXSMRKKQ-LBPRGKRZSA-N 1 0 312.301 1.315 20 5 DDBDRO CCOc1ccc(NC(=O)CN2CCC[C@@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000430548019 420134674 /nfs/dbraw/zinc/13/46/74/420134674.db2.gz VSMNGIFUAQYNNR-LLVKDONJSA-N 1 0 322.365 1.355 20 5 DDBDRO COc1ccc(NC(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000415447310 420070853 /nfs/dbraw/zinc/07/08/53/420070853.db2.gz UGSXCQXZCSKBDD-GHMZBOCLSA-N 1 0 320.349 1.677 20 5 DDBDRO CC1(C)C[C@H]([NH2+]C[C@H]2CNCCO2)c2cc([N+](=O)[O-])ccc21 ZINC000423580167 420086099 /nfs/dbraw/zinc/08/60/99/420086099.db2.gz XHTIRRHKOZJKPL-DOMZBBRYSA-N 1 0 305.378 1.895 20 5 DDBDRO C[NH+](C)CC[C@@](C)(O)CNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000420010831 420089855 /nfs/dbraw/zinc/08/98/55/420089855.db2.gz HMGSGSMZTFOHGH-CQSZACIVSA-N 1 0 313.329 1.166 20 5 DDBDRO C[C@@H]([NH3+])[C@H](C)NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000415811607 420186997 /nfs/dbraw/zinc/18/69/97/420186997.db2.gz RZPNWAQKBPPFTD-RQJHMYQMSA-N 1 0 314.729 1.039 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000420328712 420211787 /nfs/dbraw/zinc/21/17/87/420211787.db2.gz FLJPCWOESYKFGW-SMDDNHRTSA-N 1 0 320.393 1.901 20 5 DDBDRO CN(C[C@H](O)C[NH3+])C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000415704219 420151590 /nfs/dbraw/zinc/15/15/90/420151590.db2.gz RSLNHYSLXRMJPG-LLVKDONJSA-N 1 0 324.381 1.676 20 5 DDBDRO O=[N+]([O-])c1cnc(C(F)(F)F)cc1NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000420244595 420166003 /nfs/dbraw/zinc/16/60/03/420166003.db2.gz QJIVTQFQJHOLPQ-RCOVLWMOSA-N 1 0 306.244 1.001 20 5 DDBDRO C[NH2+]CCN(C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000420339803 420221149 /nfs/dbraw/zinc/22/11/49/420221149.db2.gz QPKUONDQZHVTBX-UHFFFAOYSA-N 1 0 310.354 1.083 20 5 DDBDRO C[C@H]1CCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@@H](C[NH3+])C1 ZINC000420345042 420225300 /nfs/dbraw/zinc/22/53/00/420225300.db2.gz UXULVNDICOOUHX-SWLSCSKDSA-N 1 0 320.393 1.617 20 5 DDBDRO NC(=O)c1ccc(CN2CCC[C@@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC000420374385 420246375 /nfs/dbraw/zinc/24/63/75/420246375.db2.gz NRKCNUIFCLNWPG-INIZCTEOSA-N 1 0 318.377 1.269 20 5 DDBDRO C[NH2+]CCCN(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000420390848 420256585 /nfs/dbraw/zinc/25/65/85/420256585.db2.gz REYIJMPXGZFFFZ-UHFFFAOYSA-N 1 0 310.354 1.083 20 5 DDBDRO C[C@@H]1CCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C[NH3+] ZINC000420397031 420262008 /nfs/dbraw/zinc/26/20/08/420262008.db2.gz FXASONVOJHFQDO-OLZOCXBDSA-N 1 0 320.393 1.474 20 5 DDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[C@H]2CCC[NH2+]2)s1 ZINC000440804655 229836006 /nfs/dbraw/zinc/83/60/06/229836006.db2.gz IBNBIACFOSQFMV-MRVPVSSYSA-N 1 0 305.381 1.077 20 5 DDBDRO CN(C(=O)Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H](C[NH3+])C1CC1 ZINC000423940838 420276079 /nfs/dbraw/zinc/27/60/79/420276079.db2.gz BJRVLOAOCYLNKZ-ZDUSSCGKSA-N 1 0 311.769 1.986 20 5 DDBDRO [NH3+]C[C@@H](NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)C1CCCC1 ZINC000423943139 420278049 /nfs/dbraw/zinc/27/80/49/420278049.db2.gz QNYIVRAANRGPJL-CYBMUJFWSA-N 1 0 317.349 1.718 20 5 DDBDRO NC(=O)c1cccc([N+](=O)[O-])c1N1CC[NH+](C2CCCC2)CC1 ZINC000420589691 420324594 /nfs/dbraw/zinc/32/45/94/420324594.db2.gz UKQSZIOYPXNIRF-UHFFFAOYSA-N 1 0 318.377 1.758 20 5 DDBDRO COc1cccc(C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)c1[N+](=O)[O-] ZINC000425068911 420325766 /nfs/dbraw/zinc/32/57/66/420325766.db2.gz USYHQPYCCBYIHP-WCQYABFASA-N 1 0 319.361 1.770 20 5 DDBDRO C[C@@H](O)CC[N@H+](C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000444180099 230060789 /nfs/dbraw/zinc/06/07/89/230060789.db2.gz FNZLAGDTGQHSLG-LLVKDONJSA-N 1 0 323.349 1.596 20 5 DDBDRO C[C@@H](O)C[NH+]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000438278365 420448104 /nfs/dbraw/zinc/44/81/04/420448104.db2.gz DOBMADSFWGIUEH-KXQLTZBTSA-N 1 0 305.378 1.606 20 5 DDBDRO C[NH2+]CCN(C)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000417719602 420460162 /nfs/dbraw/zinc/46/01/62/420460162.db2.gz QNVUZRDKVWHYOK-UHFFFAOYSA-N 1 0 308.382 1.778 20 5 DDBDRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000417774122 420474774 /nfs/dbraw/zinc/47/47/74/420474774.db2.gz YRRQAQGSFYKESF-KGLIPLIRSA-N 1 0 320.393 1.954 20 5 DDBDRO [NH3+]CC[C@H]1CCCN(C(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000417773478 420475256 /nfs/dbraw/zinc/47/52/56/420475256.db2.gz XEUFHMJEWMSFDL-CYBMUJFWSA-N 1 0 320.393 1.908 20 5 DDBDRO Cc1ccc(S(=O)(=O)N2CCC(C[NH3+])CC2)c([N+](=O)[O-])c1 ZINC000440350022 420569694 /nfs/dbraw/zinc/56/96/94/420569694.db2.gz NTHOWLVINRAQLB-UHFFFAOYSA-N 1 0 313.379 1.263 20 5 DDBDRO Cc1cc(S(=O)(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000440441129 420576371 /nfs/dbraw/zinc/57/63/71/420576371.db2.gz NJOZHUYGCVZUDQ-JQWIXIFHSA-N 1 0 313.379 1.261 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)CCCO ZINC000440943410 420619488 /nfs/dbraw/zinc/61/94/88/420619488.db2.gz QJRSJDSTFPTQMM-UHFFFAOYSA-N 1 0 311.338 1.246 20 5 DDBDRO CC(C)[N@@H+]1CC[C@@H](N(C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000452112041 420621849 /nfs/dbraw/zinc/62/18/49/420621849.db2.gz DWAIDMQNVVWOFN-CQSZACIVSA-N 1 0 320.393 1.608 20 5 DDBDRO C[C@@H]1CCC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@H]1CO ZINC000441692434 420660225 /nfs/dbraw/zinc/66/02/25/420660225.db2.gz TUCRKFAXGKSFBY-XPKDYRNWSA-N 1 0 324.377 1.427 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H]1CCC[C@@]1(C)CO ZINC000492892866 420701045 /nfs/dbraw/zinc/70/10/45/420701045.db2.gz PHNPNZBDXRMFSQ-BBRMVZONSA-N 1 0 321.377 1.982 20 5 DDBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c(NC)n1 ZINC000454376794 420849430 /nfs/dbraw/zinc/84/94/30/420849430.db2.gz SVXJJVSKXZDPLH-JTQLQIEISA-N 1 0 307.354 1.246 20 5 DDBDRO Cn1nccc1[C@H](CO)[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000459761383 420866345 /nfs/dbraw/zinc/86/63/45/420866345.db2.gz QYDIMYNLIFIYHB-NSHDSACASA-N 1 0 306.322 1.030 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CN(C2CC2)CCO1 ZINC000449127040 420955456 /nfs/dbraw/zinc/95/54/56/420955456.db2.gz VOMQHAACEMMLCN-CZUORRHYSA-N 1 0 319.405 1.979 20 5 DDBDRO C[C@@](C[NH3+])(NC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000493869047 420961928 /nfs/dbraw/zinc/96/19/28/420961928.db2.gz KGPLOOISXAAVHZ-FTWHOSCRSA-N 1 0 307.325 1.991 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cc(C(N)=O)no1 ZINC000449241046 420973279 /nfs/dbraw/zinc/97/32/79/420973279.db2.gz QSZZSXBRDVKKFC-SECBINFHSA-N 1 0 304.306 1.403 20 5 DDBDRO CNc1nc(C(=O)N2C[C@H]([NH+](C)C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000455775770 421060920 /nfs/dbraw/zinc/06/09/20/421060920.db2.gz RSJZIEFQIAWEQC-CABZTGNLSA-N 1 0 307.354 1.054 20 5 DDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@H](C)[NH3+])cc1OC ZINC000449589598 421033845 /nfs/dbraw/zinc/03/38/45/421033845.db2.gz JZYWARKBRSTYMB-IUCAKERBSA-N 1 0 311.338 1.468 20 5 DDBDRO C[NH2+]Cc1ccc(NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)cc1 ZINC000449623733 421039995 /nfs/dbraw/zinc/03/99/95/421039995.db2.gz KNIOWJQLOSZSAR-UHFFFAOYSA-N 1 0 317.349 1.885 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H](CC[NH3+])C(F)(F)F)c1 ZINC000449722138 421068507 /nfs/dbraw/zinc/06/85/07/421068507.db2.gz PJKYARVZLFPSTG-SNVBAGLBSA-N 1 0 321.255 1.613 20 5 DDBDRO C[C@@]1(CO)CCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000546810969 421310569 /nfs/dbraw/zinc/31/05/69/421310569.db2.gz DRBANJHDLSYPCQ-WFASDCNBSA-N 1 0 310.350 1.181 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CC[C@@H]3CCCO3)CC2)cn1 ZINC000526058571 421327219 /nfs/dbraw/zinc/32/72/19/421327219.db2.gz BZULSBGECWBIGO-AWEZNQCLSA-N 1 0 306.366 1.681 20 5 DDBDRO CO[C@@H]1C[NH2+][C@@H](C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000563096374 421455242 /nfs/dbraw/zinc/45/52/42/421455242.db2.gz CZDQGZRVBUMPFC-CMPLNLGQSA-N 1 0 313.741 1.241 20 5 DDBDRO C[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[NH+]1CCCC1 ZINC000548042528 421393460 /nfs/dbraw/zinc/39/34/60/421393460.db2.gz OINSFVXXMDWMAU-NSHDSACASA-N 1 0 313.379 1.357 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)n1 ZINC000548692861 421463468 /nfs/dbraw/zinc/46/34/68/421463468.db2.gz LKSAQIGJQZEBGD-CYBMUJFWSA-N 1 0 322.409 1.888 20 5 DDBDRO CNc1nc(C(=O)N2[C@@H]3CC[C@H]2CC[N@@H+](C)C3)ccc1[N+](=O)[O-] ZINC000563397794 421501542 /nfs/dbraw/zinc/50/15/42/421501542.db2.gz WMSYICOKAGLPCE-WDEREUQCSA-N 1 0 319.365 1.340 20 5 DDBDRO Cc1cc(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])ccn1 ZINC000516965660 421584355 /nfs/dbraw/zinc/58/43/55/421584355.db2.gz GKGVXUSFMVPYDV-CQSZACIVSA-N 1 0 317.345 1.828 20 5 DDBDRO COc1cc(C(=O)N2CC3CCC2(C[NH3+])CC3)ccc1[N+](=O)[O-] ZINC000516977854 421585229 /nfs/dbraw/zinc/58/52/29/421585229.db2.gz YPQOHTQEONFHCO-UHFFFAOYSA-N 1 0 319.361 1.947 20 5 DDBDRO [NH3+]C[C@@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CCCO1 ZINC000517564446 421617804 /nfs/dbraw/zinc/61/78/04/421617804.db2.gz AMSWQOVCWNSGKY-GFCCVEGCSA-N 1 0 319.317 1.531 20 5 DDBDRO C[C@H](C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)[NH+]1CC(C)C1 ZINC000553557626 421620938 /nfs/dbraw/zinc/62/09/38/421620938.db2.gz ZRAOYLKRCCZRIH-GFCCVEGCSA-N 1 0 319.361 1.525 20 5 DDBDRO C[C@@H]1C[C@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CS1 ZINC000570563835 421653950 /nfs/dbraw/zinc/65/39/50/421653950.db2.gz BYFPPYVNCDTZDI-WOPDTQHZSA-N 1 0 312.391 1.818 20 5 DDBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@@H](N3CCOCC3)C2)cc1 ZINC000571223226 421698495 /nfs/dbraw/zinc/69/84/95/421698495.db2.gz TUJULPIJANMGBL-QGZVFWFLSA-N 1 0 319.405 1.934 20 5 DDBDRO CC(C)(C)[N@@H+]1CCCN(c2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000536597335 421722049 /nfs/dbraw/zinc/72/20/49/421722049.db2.gz YGDLSZJGNBMWCK-UHFFFAOYSA-N 1 0 318.381 1.948 20 5 DDBDRO C[C@@H]([NH2+]C1CC1)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000520578173 421756521 /nfs/dbraw/zinc/75/65/21/421756521.db2.gz XSNLUKSWYICQGY-SNVBAGLBSA-N 1 0 307.354 1.095 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000581926076 422069680 /nfs/dbraw/zinc/06/96/80/422069680.db2.gz FEBBAOXXOMHMCT-GXFFZTMASA-N 1 0 305.334 1.380 20 5 DDBDRO CC[NH+]1CCC(CNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC1 ZINC000578647520 422619042 /nfs/dbraw/zinc/61/90/42/422619042.db2.gz VGVZSEOVYGSSQY-UHFFFAOYSA-N 1 0 323.397 1.375 20 5 DDBDRO C[C@]1(C(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC[NH2+]C1 ZINC000237535607 263580572 /nfs/dbraw/zinc/58/05/72/263580572.db2.gz QXRWROUEMSQDJN-ABAIWWIYSA-N 1 0 319.365 1.002 20 5 DDBDRO O=C(/C=C\c1cccc([N+](=O)[O-])c1)NCC[NH+]1CCC(O)CC1 ZINC000321420980 271028221 /nfs/dbraw/zinc/02/82/21/271028221.db2.gz LBQDQHDETIJUFT-PLNGDYQASA-N 1 0 319.361 1.181 20 5 DDBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000342474116 271428474 /nfs/dbraw/zinc/42/84/74/271428474.db2.gz NKYCPKNBIQTKAA-LKFCYVNXSA-N 1 0 307.325 1.946 20 5 DDBDRO CC[N@H+]1C[C@@H](C)N(C(=O)Cn2cc([N+](=O)[O-])nc2C)[C@@H](C)C1 ZINC000344425758 272022700 /nfs/dbraw/zinc/02/27/00/272022700.db2.gz OHMXTSWQVLRGSK-PHIMTYICSA-N 1 0 309.370 1.041 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)C[NH+](C)C ZINC000344913678 272139960 /nfs/dbraw/zinc/13/99/60/272139960.db2.gz HMWDLAATZCFBPV-SNVBAGLBSA-N 1 0 301.368 1.132 20 5 DDBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])cnc2C)C[C@@H]1C ZINC000345925769 272366449 /nfs/dbraw/zinc/36/64/49/272366449.db2.gz SAIMDUFOGUAZRS-WDEREUQCSA-N 1 0 306.366 1.853 20 5 DDBDRO CC[C@H]([NH3+])CNS(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000111304208 273750245 /nfs/dbraw/zinc/75/02/45/273750245.db2.gz FHQXUTKHSJGNMY-JTQLQIEISA-N 1 0 301.368 1.227 20 5 DDBDRO C[NH+](C)[C@H]1CN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])C[C@@H]1O ZINC000292337736 273819754 /nfs/dbraw/zinc/81/97/54/273819754.db2.gz NMNHLWAVMRYMLA-UWVGGRQHSA-N 1 0 320.271 1.120 20 5 DDBDRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000262592000 274240521 /nfs/dbraw/zinc/24/05/21/274240521.db2.gz RSZSTINSKBLDAZ-OLZOCXBDSA-N 1 0 321.377 1.950 20 5 DDBDRO O=[N+]([O-])c1ccc(Cl)cc1CN1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000262567829 275035727 /nfs/dbraw/zinc/03/57/27/275035727.db2.gz XASWCGKFUPTERQ-AWEZNQCLSA-N 1 0 324.812 1.728 20 5 DDBDRO CC(C)[NH2+]C1CCN(c2cccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000439157206 275966713 /nfs/dbraw/zinc/96/67/13/275966713.db2.gz NEVWSYWWDADYHA-UHFFFAOYSA-N 1 0 306.366 1.661 20 5 DDBDRO CC[NH2+]CCNC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000418326882 276265566 /nfs/dbraw/zinc/26/55/66/276265566.db2.gz OROYLYKGAXMAKU-UHFFFAOYSA-N 1 0 321.381 1.036 20 5 DDBDRO C[NH2+]C[C@@H]1CCCN1C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000414661850 277277226 /nfs/dbraw/zinc/27/72/26/277277226.db2.gz YFPTUDPAOAZXAG-NSHDSACASA-N 1 0 308.338 1.819 20 5 DDBDRO C[C@H](NC(=O)NCCc1ccccc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000417767823 278243759 /nfs/dbraw/zinc/24/37/59/278243759.db2.gz RCNCYEQDIMABGI-JSGCOSHPSA-N 1 0 320.393 1.825 20 5 DDBDRO C[C@@H]([NH3+])[C@@H]1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000420241623 278314451 /nfs/dbraw/zinc/31/44/51/278314451.db2.gz VTXYYXWMSCBVEF-MWLCHTKSSA-N 1 0 303.322 1.818 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000420421206 278744717 /nfs/dbraw/zinc/74/47/17/278744717.db2.gz FSGDVUVNABBEHM-JQWIXIFHSA-N 1 0 313.379 1.322 20 5 DDBDRO C[C@H]([NH3+])[C@H]1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000420241625 279421951 /nfs/dbraw/zinc/42/19/51/279421951.db2.gz VTXYYXWMSCBVEF-ONGXEEELSA-N 1 0 303.322 1.818 20 5 DDBDRO C[C@H]1CC[NH2+][C@H](C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)C1 ZINC000423823639 279738864 /nfs/dbraw/zinc/73/88/64/279738864.db2.gz IMHGZNFIOKAFDE-HZMBPMFUSA-N 1 0 304.350 1.263 20 5 DDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000193398478 280259576 /nfs/dbraw/zinc/25/95/76/280259576.db2.gz PKMYYUQZIJFBRR-GXSJLCMTSA-N 1 0 313.379 1.180 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC[C@H]([NH3+])C(C)C)c1C ZINC000440407106 281015710 /nfs/dbraw/zinc/01/57/10/281015710.db2.gz NEETYNYKTOBUJL-NSHDSACASA-N 1 0 315.395 1.473 20 5 DDBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2c([N+](=O)[O-])cnn2C)C1 ZINC000126299813 281233644 /nfs/dbraw/zinc/23/36/44/281233644.db2.gz UJUFOSXWIRICRB-NSHDSACASA-N 1 0 309.370 1.036 20 5 DDBDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1c([N+](=O)[O-])cnn1C ZINC000128404398 281310345 /nfs/dbraw/zinc/31/03/45/281310345.db2.gz VRVFGXSYFFRFQA-GFCCVEGCSA-N 1 0 323.397 1.569 20 5 DDBDRO [NH3+][C@@H]1CCCC[C@H]1NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000130941569 281399573 /nfs/dbraw/zinc/39/95/73/281399573.db2.gz ITXSZSWDXHRVJU-CHWSQXEVSA-N 1 0 313.379 1.284 20 5 DDBDRO CCC(CC)(C[NH3+])NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000111832375 282075931 /nfs/dbraw/zinc/07/59/31/282075931.db2.gz RXYWMNDMBQCTOM-UHFFFAOYSA-N 1 0 315.395 1.699 20 5 DDBDRO COC(=O)C[C@@]1([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)CCOC1 ZINC000361740497 299927914 /nfs/dbraw/zinc/92/79/14/299927914.db2.gz JENZIGDFTLQXRH-HNNXBMFYSA-N 1 0 308.334 1.715 20 5 DDBDRO NC(=O)c1ccc(CSCC2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000572118088 304506861 /nfs/dbraw/zinc/50/68/61/304506861.db2.gz JXBNHUDYZATMEY-UHFFFAOYSA-N 1 0 309.391 1.927 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CCC3(CC[NH2+]C3)CC2)n1 ZINC000572518299 304535527 /nfs/dbraw/zinc/53/55/27/304535527.db2.gz LKNMAINEAWJFNV-UHFFFAOYSA-N 1 0 307.354 1.027 20 5 DDBDRO Cn1nc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000356453731 298795267 /nfs/dbraw/zinc/79/52/67/298795267.db2.gz HVRRSTJHIWFMNS-LLVKDONJSA-N 1 0 307.354 1.029 20 5 DDBDRO [NH3+]CC1(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000573953462 304624646 /nfs/dbraw/zinc/62/46/46/304624646.db2.gz ZEJWFSDAZDINBD-UHFFFAOYSA-N 1 0 307.350 1.609 20 5 DDBDRO CN(C(=O)[C@H]1C[C@H]1[N+](=O)[O-])C1CC[NH+](Cc2ccccc2)CC1 ZINC000362985819 300194254 /nfs/dbraw/zinc/19/42/54/300194254.db2.gz JVZOOQBEOJIVBQ-JKSUJKDBSA-N 1 0 317.389 1.775 20 5 DDBDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H]1C[C@H]1[N+](=O)[O-] ZINC000363050831 300204048 /nfs/dbraw/zinc/20/40/48/300204048.db2.gz NMAYFIITZFOZCJ-HRCADAONSA-N 1 0 317.389 1.632 20 5 DDBDRO CN(C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)C(=O)[C@@H]1C[C@@H]1[N+](=O)[O-] ZINC000364173983 300353793 /nfs/dbraw/zinc/35/37/93/300353793.db2.gz KKHOUPHJNCJFPF-XGUBFFRZSA-N 1 0 318.377 1.198 20 5 DDBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@H](n3cncn3)C2)c1 ZINC000368412122 301022433 /nfs/dbraw/zinc/02/24/33/301022433.db2.gz RCNQNIBISWBXIF-ZDUSSCGKSA-N 1 0 303.322 1.512 20 5 DDBDRO CN(C(=O)[C@H]1C[C@H]1[N+](=O)[O-])C1CC[NH+](Cc2ccncc2)CC1 ZINC000368818582 301092359 /nfs/dbraw/zinc/09/23/59/301092359.db2.gz UIKMNBHQDOIQGO-LSDHHAIUSA-N 1 0 318.377 1.170 20 5 DDBDRO CCc1n[nH]c(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000369143537 301136476 /nfs/dbraw/zinc/13/64/76/301136476.db2.gz KWOZVDDEPSBEQC-ZJUUUORDSA-N 1 0 307.354 1.237 20 5 DDBDRO CCc1n[nH]c(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000369143534 301136599 /nfs/dbraw/zinc/13/65/99/301136599.db2.gz KWOZVDDEPSBEQC-NXEZZACHSA-N 1 0 307.354 1.237 20 5 DDBDRO NC(=O)c1ccc(C[NH+]2CCC3(CCO3)CC2)c([N+](=O)[O-])c1 ZINC000374344712 301795956 /nfs/dbraw/zinc/79/59/56/301795956.db2.gz HVYWEILTXRDPHK-UHFFFAOYSA-N 1 0 305.334 1.449 20 5 DDBDRO Cc1cc(C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)c(N)c([N+](=O)[O-])c1 ZINC000377536083 302190259 /nfs/dbraw/zinc/19/02/59/302190259.db2.gz PXHSYLJUSCBWEN-INIZCTEOSA-N 1 0 318.377 1.701 20 5 DDBDRO C[C@@H]1C[C@@H](C)N(C(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1C[NH3+] ZINC000397228015 302352780 /nfs/dbraw/zinc/35/27/80/302352780.db2.gz DBIZOTNXYXJCCR-BZPMIXESSA-N 1 0 305.378 1.969 20 5 DDBDRO CC1(C)CC[C@@H](C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])O1 ZINC000515167043 302767103 /nfs/dbraw/zinc/76/71/03/302767103.db2.gz ZKSLSARYJUGAKV-STQMWFEESA-N 1 0 324.377 1.882 20 5 DDBDRO Cn1nc([N+](=O)[O-])cc1C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000356730087 306861865 /nfs/dbraw/zinc/86/18/65/306861865.db2.gz MMVKFPWENWMNTJ-UHFFFAOYSA-N 1 0 309.370 1.180 20 5 DDBDRO COCC1([NH2+]Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)CC1 ZINC000530494369 303199170 /nfs/dbraw/zinc/19/91/70/303199170.db2.gz RFABXQNTHGLZMI-UHFFFAOYSA-N 1 0 324.333 1.415 20 5 DDBDRO COC(C)(C)C[N@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000531829407 303259781 /nfs/dbraw/zinc/25/97/81/303259781.db2.gz HIDDBKIFLGPWJN-CYBMUJFWSA-N 1 0 312.366 1.691 20 5 DDBDRO COc1cc(C[NH2+]C[C@@H](C)Cn2cccn2)c([N+](=O)[O-])cc1O ZINC000548912131 303598518 /nfs/dbraw/zinc/59/85/18/303598518.db2.gz DWGSAFVSVXESED-LLVKDONJSA-N 1 0 320.349 1.931 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000357866269 306922241 /nfs/dbraw/zinc/92/22/41/306922241.db2.gz UNBRDUPNVFMFQX-UHFFFAOYSA-N 1 0 318.377 1.904 20 5 DDBDRO CCC[C@@H]1C[NH2+]CCN1C(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000359202105 306952929 /nfs/dbraw/zinc/95/29/29/306952929.db2.gz SFVWEQWPVWLYJC-GFCCVEGCSA-N 1 0 307.350 1.818 20 5 DDBDRO Cc1c(NC(=O)CC[N@@H+]2C[C@H](CO)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000362091390 307014271 /nfs/dbraw/zinc/01/42/71/307014271.db2.gz UQBLICXTDQIMAN-DGCLKSJQSA-N 1 0 321.377 1.792 20 5 DDBDRO [NH3+][C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000364581792 307048572 /nfs/dbraw/zinc/04/85/72/307048572.db2.gz RDDJUYKNPYROCD-ZSBIGDGJSA-N 1 0 305.334 1.454 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@@H](c2ccco2)C1 ZINC000367142448 307087009 /nfs/dbraw/zinc/08/70/09/307087009.db2.gz WRUWXULKRUQLLF-GFCCVEGCSA-N 1 0 303.318 1.839 20 5 DDBDRO O=[N+]([O-])c1ccc(CN2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1F ZINC000367275838 307091264 /nfs/dbraw/zinc/09/12/64/307091264.db2.gz YSPQGEICEFKHTD-HOTGVXAUSA-N 1 0 323.368 1.765 20 5 DDBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](CC(N)=O)C1 ZINC000367377995 307092356 /nfs/dbraw/zinc/09/23/56/307092356.db2.gz NVERFTSOIPHBAB-QWRGUYRKSA-N 1 0 320.349 1.119 20 5 DDBDRO O=[N+]([O-])c1c(F)cccc1N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000368532949 307104664 /nfs/dbraw/zinc/10/46/64/307104664.db2.gz RWSOHNZUHNJRJM-GXTWGEPZSA-N 1 0 309.341 1.769 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cccc([N+](=O)[O-])c3F)C[C@H]21 ZINC000376662930 307252474 /nfs/dbraw/zinc/25/24/74/307252474.db2.gz DANQRIJTORCLAL-ZWNOBZJWSA-N 1 0 307.325 1.900 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H](CC[NH3+])C(F)F ZINC000394764918 307295675 /nfs/dbraw/zinc/29/56/75/307295675.db2.gz HYKHMXMTMQZXEP-QMMMGPOBSA-N 1 0 323.321 1.164 20 5 DDBDRO O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC000404028028 307297644 /nfs/dbraw/zinc/29/76/44/307297644.db2.gz VWPZBNBDWDOQGL-XPHWWTOTSA-N 1 0 317.345 1.197 20 5 DDBDRO CCOC(=O)c1cc(C(=O)N(C)CCC[NH2+]C)cc([N+](=O)[O-])c1 ZINC000424019217 307301179 /nfs/dbraw/zinc/30/11/79/307301179.db2.gz LKTRTHDVNJCGRU-UHFFFAOYSA-N 1 0 323.349 1.453 20 5 DDBDRO CO[C@H]1C[C@@H](N(C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000510146626 307398996 /nfs/dbraw/zinc/39/89/96/307398996.db2.gz WYTJNMPXRNFPJO-BETUJISGSA-N 1 0 307.350 1.951 20 5 DDBDRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000557147329 307865235 /nfs/dbraw/zinc/86/52/35/307865235.db2.gz RTGUAGKFRDXHCK-SMDDNHRTSA-N 1 0 322.365 1.271 20 5 DDBDRO C[N@H+](C[C@H](O)CNCCOc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000566117003 308043699 /nfs/dbraw/zinc/04/36/99/308043699.db2.gz LJAOSOAPYKYLDO-CQSZACIVSA-N 1 0 309.366 1.018 20 5 DDBDRO C[C@@H]1COCCN1CC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000566571512 308057780 /nfs/dbraw/zinc/05/77/80/308057780.db2.gz DJCNXRKWUOOYRW-DOMZBBRYSA-N 1 0 305.378 1.892 20 5 DDBDRO C[C@H](NC(=O)NCc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]C1 ZINC000570813122 308181596 /nfs/dbraw/zinc/18/15/96/308181596.db2.gz BUKIJVBKOWMJSN-WCQYABFASA-N 1 0 306.366 1.782 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NCCC[NH2+]C(C)C ZINC000572015180 308208391 /nfs/dbraw/zinc/20/83/91/308208391.db2.gz CNUFPAARQBEZCS-UHFFFAOYSA-N 1 0 324.381 1.791 20 5 DDBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@H](CO)[C@@H](O)C1 ZINC000574228348 308265766 /nfs/dbraw/zinc/26/57/66/308265766.db2.gz ZBXWQMNEJKGHPQ-DOMZBBRYSA-N 1 0 324.377 1.557 20 5 DDBDRO O=C(NCCCCC[NH+]1CCCCC1)c1c[nH]nc1[N+](=O)[O-] ZINC000578769593 308484756 /nfs/dbraw/zinc/48/47/56/308484756.db2.gz OBVMOKOURUUAHG-UHFFFAOYSA-N 1 0 309.370 1.704 20 5 DDBDRO CC1(C)[C@H](O)C[C@@H]1[NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000579975482 308571545 /nfs/dbraw/zinc/57/15/45/308571545.db2.gz UIMBLYCKSOVTDS-HZSPNIEDSA-N 1 0 319.361 1.449 20 5 DDBDRO CC1(C)C[NH2+]C[C@@H]1NC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001120668330 782086071 /nfs/dbraw/zinc/08/60/71/782086071.db2.gz IHNTXRBHDUCLRE-ZDUSSCGKSA-N 1 0 304.350 1.618 20 5 DDBDRO COc1cc(C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000382465027 325745071 /nfs/dbraw/zinc/74/50/71/325745071.db2.gz ZZMVHFISTOXOBC-NXEZZACHSA-N 1 0 323.349 1.469 20 5 DDBDRO CCCc1n[nH]c(C(=O)NC[C@H](C)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000518328499 325789973 /nfs/dbraw/zinc/78/99/73/325789973.db2.gz DWBQHLLPBHSPMP-JTQLQIEISA-N 1 0 309.370 1.485 20 5 DDBDRO O=C1C[C@@H]([NH2+]C2CCCC2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000584060893 331657807 /nfs/dbraw/zinc/65/78/07/331657807.db2.gz IZGPRXUVJRBDRF-CYBMUJFWSA-N 1 0 303.318 1.759 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC(O)(C[NH3+])CC1 ZINC000582605138 337112789 /nfs/dbraw/zinc/11/27/89/337112789.db2.gz DGJSJZFSDGMZFZ-UHFFFAOYSA-N 1 0 307.350 1.137 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](CO)[C@H]1C ZINC000488801829 484219277 /nfs/dbraw/zinc/21/92/77/484219277.db2.gz NHVIXJIZBKDJLO-CHWSQXEVSA-N 1 0 321.377 1.935 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@@H]2CCOC3(CCC3)C2)c1 ZINC000563001268 484330202 /nfs/dbraw/zinc/33/02/02/484330202.db2.gz ROGKMXUYKKOWEF-TZMCWYRMSA-N 1 0 324.381 1.091 20 5 DDBDRO COc1ccc(C(=O)N2CCC3(C[NH+](C)C3)C2)cc1[N+](=O)[O-] ZINC000618921063 490410315 /nfs/dbraw/zinc/41/03/15/490410315.db2.gz NTQSIPAKUWXXGD-UHFFFAOYSA-N 1 0 305.334 1.381 20 5 DDBDRO COC(=O)c1cc(C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000422827562 533729371 /nfs/dbraw/zinc/72/93/71/533729371.db2.gz SFRSPYXWWSTVOB-UWVGGRQHSA-N 1 0 321.333 1.204 20 5 DDBDRO C[C@@H]1C[C@H](C[NH3+])CN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000447246456 533844020 /nfs/dbraw/zinc/84/40/20/533844020.db2.gz OSPVXTODOBEUKQ-HTQZYQBOSA-N 1 0 305.381 1.014 20 5 DDBDRO COc1cc(C[NH2+][C@@H]2CCCC[C@@H]2C(N)=O)ccc1[N+](=O)[O-] ZINC000445765504 533896080 /nfs/dbraw/zinc/89/60/80/533896080.db2.gz MAFUONCQOBJYKD-NWDGAFQWSA-N 1 0 307.350 1.737 20 5 DDBDRO COc1ccc(NC(=O)N[C@@H]2CC[NH2+]C2(C)C)cc1[N+](=O)[O-] ZINC000415448593 534133678 /nfs/dbraw/zinc/13/36/78/534133678.db2.gz VDQYSPMYUKEBBQ-GFCCVEGCSA-N 1 0 308.338 1.865 20 5 DDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCCS(C)(=O)=O ZINC000424292770 534254590 /nfs/dbraw/zinc/25/45/90/534254590.db2.gz HGUBZSJNHARVJW-LBPRGKRZSA-N 1 0 314.407 1.940 20 5 DDBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N[C@H]1CC[NH2+]C1 ZINC000417986267 534450029 /nfs/dbraw/zinc/45/00/29/534450029.db2.gz IBDUZOFLAMLTHC-NSHDSACASA-N 1 0 312.757 1.452 20 5 DDBDRO CC(C)(CN1CCOCC1)[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000412002864 527088818 /nfs/dbraw/zinc/08/88/18/527088818.db2.gz NRMRTVDMPWNIFV-UHFFFAOYSA-N 1 0 323.393 1.674 20 5 DDBDRO CC(C)(C(=O)N[C@@H](CC[NH3+])C(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000449634341 527529569 /nfs/dbraw/zinc/52/95/69/527529569.db2.gz ZZNMIQSXXKANGU-NSHDSACASA-N 1 0 315.320 1.971 20 5 DDBDRO CCO[C@@H]1CCCC[C@H]1[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000452034244 527744166 /nfs/dbraw/zinc/74/41/66/527744166.db2.gz JGCWVMVFRMIVAZ-ZIAGYGMSSA-N 1 0 309.366 1.694 20 5 DDBDRO CCOc1cc(C[NH2+][C@@H]2COC[C@H]2OCC)ccc1[N+](=O)[O-] ZINC000451949654 528281767 /nfs/dbraw/zinc/28/17/67/528281767.db2.gz XRPTXXMLZWNFNQ-IUODEOHRSA-N 1 0 310.350 1.887 20 5 DDBDRO CCOc1cc(N2C[C@@H](C)[N@H+](CCO)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000419007321 528312937 /nfs/dbraw/zinc/31/29/37/528312937.db2.gz RKITYCALSFULKG-CHWSQXEVSA-N 1 0 323.393 1.885 20 5 DDBDRO CCOc1ccc(C(=O)NCC[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000444266763 528399978 /nfs/dbraw/zinc/39/99/78/528399978.db2.gz LVPMOWWJGQREFS-GFCCVEGCSA-N 1 0 307.350 1.865 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@](C)(C[NH3+])C2)c1 ZINC000423614711 528611140 /nfs/dbraw/zinc/61/11/40/528611140.db2.gz TXHAZEMMNBRVQG-HNNXBMFYSA-N 1 0 307.350 1.804 20 5 DDBDRO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000424042565 529130488 /nfs/dbraw/zinc/13/04/88/529130488.db2.gz PWVWMEDFOCNCSK-CYBMUJFWSA-N 1 0 306.366 1.773 20 5 DDBDRO CC[C@H](CNS(C)(=O)=O)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000294935823 529366584 /nfs/dbraw/zinc/36/65/84/529366584.db2.gz BWRUDVWWDLTBHM-LLVKDONJSA-N 1 0 301.368 1.012 20 5 DDBDRO C[NH+](C)Cc1ccc(NC(=O)c2cc([N+](=O)[O-])n[nH]2)cc1F ZINC000796948900 699987514 /nfs/dbraw/zinc/98/75/14/699987514.db2.gz NHADMJWQOBDRHI-UHFFFAOYSA-N 1 0 307.285 1.771 20 5 DDBDRO CNC(=O)[C@@]1(C)CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000797525085 700013275 /nfs/dbraw/zinc/01/32/75/700013275.db2.gz AKODOWSXMQAENN-HIFRSBDPSA-N 1 0 307.350 1.086 20 5 DDBDRO C[C@H](C(=O)OCCn1ccc([N+](=O)[O-])n1)[NH+]1CCCCCC1 ZINC000748128742 700101440 /nfs/dbraw/zinc/10/14/40/700101440.db2.gz KPARICPWIFKHLK-GFCCVEGCSA-N 1 0 310.354 1.599 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)[NH2+][C@@H]2CCCSC2)cc1 ZINC000131508729 696806803 /nfs/dbraw/zinc/80/68/03/696806803.db2.gz UAAUBVFBLREKEL-MRVWCRGKSA-N 1 0 312.391 1.474 20 5 DDBDRO [NH3+][C@H]1CCN(Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000159487349 697309902 /nfs/dbraw/zinc/30/99/02/697309902.db2.gz ODCSQFGDFUWFSW-VIFPVBQESA-N 1 0 300.156 1.890 20 5 DDBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](CO)C1CC1 ZINC000772986145 697701073 /nfs/dbraw/zinc/70/10/73/697701073.db2.gz AISFMWYJJZAJBT-QMTHXVAHSA-N 1 0 307.350 1.672 20 5 DDBDRO Cc1c(C(=O)NC[C@H]2CCC[N@H+]2C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000194732202 697719214 /nfs/dbraw/zinc/71/92/14/697719214.db2.gz CLNXPGZDNJNLDV-SNVBAGLBSA-N 1 0 322.321 1.635 20 5 DDBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC([NH+]2CCN(C)CC2)CC1 ZINC000223468270 697761513 /nfs/dbraw/zinc/76/15/13/697761513.db2.gz DKYLCCMURVKSAA-UHFFFAOYSA-N 1 0 319.409 1.514 20 5 DDBDRO C[C@@H]1CCCN(CC[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000749678496 700176392 /nfs/dbraw/zinc/17/63/92/700176392.db2.gz SRUWIYVQWAKQAH-CJNGLKHVSA-N 1 0 307.394 1.950 20 5 DDBDRO Cc1cc(C(=O)NCC[C@H]2CCC[NH2+]C2)c(N)c([N+](=O)[O-])c1 ZINC000237729816 697812553 /nfs/dbraw/zinc/81/25/53/697812553.db2.gz UVWQCPAOQBYPNR-LLVKDONJSA-N 1 0 306.366 1.605 20 5 DDBDRO CC[NH+](CC)CCCOC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000800185810 700199236 /nfs/dbraw/zinc/19/92/36/700199236.db2.gz BUJMJXCFKDVZNW-UHFFFAOYSA-N 1 0 311.338 1.032 20 5 DDBDRO CC(C)(O)C[NH+]1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776581893 698121249 /nfs/dbraw/zinc/12/12/49/698121249.db2.gz OJPNDULNJHPIQI-OAHLLOKOSA-N 1 0 323.393 1.017 20 5 DDBDRO CCOCCO[C@H]1CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776592139 698123502 /nfs/dbraw/zinc/12/35/02/698123502.db2.gz YZRRWJVICUUHRF-JKSUJKDBSA-N 1 0 324.377 1.756 20 5 DDBDRO CC1(C)CN(C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)CC[NH2+]1 ZINC000778305904 698259582 /nfs/dbraw/zinc/25/95/82/698259582.db2.gz KRXUWMAESUGCFR-UHFFFAOYSA-N 1 0 321.362 1.424 20 5 DDBDRO COC(=O)[C@@H](C)C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000246354040 698348305 /nfs/dbraw/zinc/34/83/05/698348305.db2.gz WOEMMHMHEKODFY-XHDPSFHLSA-N 1 0 322.361 1.902 20 5 DDBDRO C[C@]1(C[NH3+])CCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000261842096 698440699 /nfs/dbraw/zinc/44/06/99/698440699.db2.gz QSKUEUZKLMOVHC-GOEBONIOSA-N 1 0 318.377 1.371 20 5 DDBDRO COC(=O)[C@@H]1CC12CCN(Cn1cc([N+](=O)[O-])c(C)n1)CC2 ZINC000779860591 698476306 /nfs/dbraw/zinc/47/63/06/698476306.db2.gz CRFKXPHKRVNZRO-NSHDSACASA-N 1 0 308.338 1.332 20 5 DDBDRO CC(C)C(=O)N1CCC([NH2+]Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000989964497 698879354 /nfs/dbraw/zinc/87/93/54/698879354.db2.gz HCBSNLOFLJTQDJ-UHFFFAOYSA-N 1 0 309.370 1.065 20 5 DDBDRO CC(C)[C@@H](C[NH+](C)C)NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000733164655 699581466 /nfs/dbraw/zinc/58/14/66/699581466.db2.gz ARROZFWVYUMPJX-CYBMUJFWSA-N 1 0 319.365 1.787 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[NH2+]CC2CCC3(CC2)OCCO3)c1 ZINC000795943797 699902767 /nfs/dbraw/zinc/90/27/67/699902767.db2.gz WFWLMXNFPRQRDE-UHFFFAOYSA-N 1 0 310.354 1.314 20 5 DDBDRO COC[C@@H]1CCC[N@@H+]1Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000751949551 700329897 /nfs/dbraw/zinc/32/98/97/700329897.db2.gz LQWJNTAPBYORQY-AWEZNQCLSA-N 1 0 317.349 1.922 20 5 DDBDRO COCC1(O)CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000759318017 700745877 /nfs/dbraw/zinc/74/58/77/700745877.db2.gz PLBIDOZQDYQFFJ-CQSZACIVSA-N 1 0 310.350 1.102 20 5 DDBDRO CC1(C2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)OCCO1 ZINC000760896397 700828445 /nfs/dbraw/zinc/82/84/45/700828445.db2.gz CQJCGIYIEBZDNS-UHFFFAOYSA-N 1 0 310.354 1.266 20 5 DDBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[N@H+](C)[C@H](C)C1 ZINC000761077377 700840198 /nfs/dbraw/zinc/84/01/98/700840198.db2.gz RTSBDVIZGKKQQU-NEPJUHHUSA-N 1 0 306.366 1.558 20 5 DDBDRO C[NH+]1CCN(CCNc2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC1 ZINC000804338609 701180816 /nfs/dbraw/zinc/18/08/16/701180816.db2.gz WJNRDGCUCHGNND-UHFFFAOYSA-N 1 0 309.326 1.162 20 5 DDBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@@H](CO)C2CC2)cccc1[N+](=O)[O-] ZINC000771814600 701332510 /nfs/dbraw/zinc/33/25/10/701332510.db2.gz ATGBZBUVSMMCTF-GWCFXTLKSA-N 1 0 307.350 1.591 20 5 DDBDRO O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839502367 701718460 /nfs/dbraw/zinc/71/84/60/701718460.db2.gz IIVNKZHHWDBSJX-QLFBSQMISA-N 1 0 303.362 1.605 20 5 DDBDRO CC(C)(C(=O)O[C@@H]1CC[N@@H+]2CCC[C@H]2C1)n1cc([N+](=O)[O-])cn1 ZINC000810839514 701859575 /nfs/dbraw/zinc/85/95/75/701859575.db2.gz BSOLGBGUNNNJDT-WCQYABFASA-N 1 0 322.365 1.696 20 5 DDBDRO COCCC1(NC(=O)c2cc([N+](=O)[O-])ccc2C)CC[NH2+]CC1 ZINC000868040673 701906505 /nfs/dbraw/zinc/90/65/05/701906505.db2.gz OSZVKAYQUCLKCC-UHFFFAOYSA-N 1 0 321.377 1.792 20 5 DDBDRO CC[C@H]1C[N@H+](C)CCN1Cn1nc(C)c2cc([N+](=O)[O-])cnc21 ZINC000840092514 701964948 /nfs/dbraw/zinc/96/49/48/701964948.db2.gz WJGLVTXYVGKGIB-LBPRGKRZSA-N 1 0 318.381 1.631 20 5 DDBDRO Cc1cc(C(=O)N[C@@H](C)C[N@@H+](C)C(C)C)c(N)c([N+](=O)[O-])c1 ZINC000811601925 702015725 /nfs/dbraw/zinc/01/57/25/702015725.db2.gz SBMOYRIIYHFQSK-NSHDSACASA-N 1 0 308.382 1.944 20 5 DDBDRO CC(C)N(Cn1c(=O)oc2cccc([N+](=O)[O-])c21)[C@@H]1CCOC1 ZINC000812290783 702137129 /nfs/dbraw/zinc/13/71/29/702137129.db2.gz JGJOQKNFTACACO-LLVKDONJSA-N 1 0 321.333 1.960 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(c3ccc(C(N)=O)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000866206763 706648430 /nfs/dbraw/zinc/64/84/30/706648430.db2.gz NAYJROBUMLTZJL-NEPJUHHUSA-N 1 0 304.350 1.224 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC[C@@](O)(C(F)F)C2)c1 ZINC000831175136 706649900 /nfs/dbraw/zinc/64/99/00/706649900.db2.gz FVKYSZQPRMFPJK-YPMHNXCESA-N 1 0 302.277 1.330 20 5 DDBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H]1CN(C)CCN1C ZINC000866264002 706661147 /nfs/dbraw/zinc/66/11/47/706661147.db2.gz JYHREPLNIGWUKK-WFASDCNBSA-N 1 0 324.400 1.500 20 5 DDBDRO CN(C[C@H]1CCC[N@@H+]1C)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000817371917 702358514 /nfs/dbraw/zinc/35/85/14/702358514.db2.gz FNIXVRPDFFUDAJ-CQSZACIVSA-N 1 0 303.366 1.928 20 5 DDBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@]1(O)CCO[C@@H]1C ZINC000866353696 706679762 /nfs/dbraw/zinc/67/97/62/706679762.db2.gz ZRJTYPBEXPZLAN-HFAKWTLXSA-N 1 0 312.341 1.794 20 5 DDBDRO C[C@@H]([NH3+])[C@@H](C)NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000841857891 702590981 /nfs/dbraw/zinc/59/09/81/702590981.db2.gz KMOVBVBIPYXRMO-HTQZYQBOSA-N 1 0 300.746 1.783 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NC[C@@H](C)C[NH3+])c1 ZINC000842786588 702773414 /nfs/dbraw/zinc/77/34/14/702773414.db2.gz CZLBTLXNVCZBNZ-QMMMGPOBSA-N 1 0 321.786 1.430 20 5 DDBDRO CC(C)C[C@@H](O)C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000843071251 702813352 /nfs/dbraw/zinc/81/33/52/702813352.db2.gz UQLGFJZNNQVSRN-CHWSQXEVSA-N 1 0 312.366 1.331 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@H](CO)c2ccccc2)cc1 ZINC000843076994 702814713 /nfs/dbraw/zinc/81/47/13/702814713.db2.gz ONZQQLOOFFWLNX-WBVHZDCISA-N 1 0 316.357 1.994 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@@H](CO)Cc2ccncc2)cc1 ZINC000843111223 702820963 /nfs/dbraw/zinc/82/09/63/702820963.db2.gz RTKQIWVMWOYNCL-ZBFHGGJFSA-N 1 0 317.345 1.216 20 5 DDBDRO C[NH2+][C@H]1CCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000843344448 702863057 /nfs/dbraw/zinc/86/30/57/702863057.db2.gz DQNDKRYUNGUGIP-JTQLQIEISA-N 1 0 312.757 1.480 20 5 DDBDRO O=C(CO[C@@H]1CCC[NH2+]C1)NCCc1ccccc1[N+](=O)[O-] ZINC000843444317 702883611 /nfs/dbraw/zinc/88/36/11/702883611.db2.gz NLVHVLZEJMUHEL-CYBMUJFWSA-N 1 0 307.350 1.022 20 5 DDBDRO Cc1ccc([C@@H](C)NC(=O)CO[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000843447216 702884482 /nfs/dbraw/zinc/88/44/82/702884482.db2.gz BLFMWJLITUOPHJ-TZMCWYRMSA-N 1 0 321.377 1.849 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N[C@H]2CC[NH2+]C2(C)C)cc1[N+](=O)[O-] ZINC000843485143 702890819 /nfs/dbraw/zinc/89/08/19/702890819.db2.gz OEISNWHTQHIGRO-LBPRGKRZSA-N 1 0 322.321 1.682 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H](C[NH3+])C(C)(C)C)cc1[N+](=O)[O-] ZINC000843496683 702893818 /nfs/dbraw/zinc/89/38/18/702893818.db2.gz ADULLFVYBOTDED-LBPRGKRZSA-N 1 0 324.337 1.915 20 5 DDBDRO C[NH+](C)CC[C@@H](N)c1nc(Cc2ccccc2[N+](=O)[O-])no1 ZINC000844906822 703082785 /nfs/dbraw/zinc/08/27/85/703082785.db2.gz LUQHJLNQVCEFTA-LLVKDONJSA-N 1 0 305.338 1.520 20 5 DDBDRO C[C@H]([NH2+]C[C@H]1CC(=O)N(C2CC2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000846206655 703250877 /nfs/dbraw/zinc/25/08/77/703250877.db2.gz RTDWELPSLZJXEF-WDEREUQCSA-N 1 0 318.377 1.839 20 5 DDBDRO CN(CC[NH+]1CCCCC1)C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000846612478 703303572 /nfs/dbraw/zinc/30/35/72/703303572.db2.gz VOGBHZOLEKMDMJ-HNNXBMFYSA-N 1 0 321.377 1.573 20 5 DDBDRO [NH3+]CC1(CCNC(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000846692127 703318487 /nfs/dbraw/zinc/31/84/87/703318487.db2.gz PJYDZTUGTVRPFV-UHFFFAOYSA-N 1 0 311.313 1.358 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCC(CC[NH3+])CC1 ZINC000846696844 703319439 /nfs/dbraw/zinc/31/94/39/703319439.db2.gz XTCXXMCDGZXHQG-UHFFFAOYSA-N 1 0 320.393 1.862 20 5 DDBDRO C[C@H](CNC(=O)c1ccnc(N)c1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000847366119 703407869 /nfs/dbraw/zinc/40/78/69/703407869.db2.gz CLTSEBWBYRDQLK-SNVBAGLBSA-N 1 0 307.354 1.176 20 5 DDBDRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000848295270 703536952 /nfs/dbraw/zinc/53/69/52/703536952.db2.gz MJIFPOFCYZJNIO-DTORHVGOSA-N 1 0 310.329 1.386 20 5 DDBDRO [NH2+]=C(NCCOc1ccc([N+](=O)[O-])cc1)N1CCSCC1 ZINC000849007423 703609856 /nfs/dbraw/zinc/60/98/56/703609856.db2.gz MQEYQPJHSDCIFH-UHFFFAOYSA-N 1 0 310.379 1.547 20 5 DDBDRO [NH2+]=C(NCCn1cc([N+](=O)[O-])cn1)Nc1cc(F)ccc1F ZINC000849081203 703616280 /nfs/dbraw/zinc/61/62/80/703616280.db2.gz MNHDHKRYSSXSGA-UHFFFAOYSA-N 1 0 310.264 1.706 20 5 DDBDRO Nc1ccc(C(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000831734480 706766209 /nfs/dbraw/zinc/76/62/09/706766209.db2.gz HEIXRHOPNHBKNF-CHWSQXEVSA-N 1 0 318.377 1.639 20 5 DDBDRO CCO[C@H](CNC(=O)c1ccc(NC)c([N+](=O)[O-])c1)C[NH+](C)C ZINC000831777033 706777748 /nfs/dbraw/zinc/77/77/48/706777748.db2.gz PGAQMOOLPYAAOH-GFCCVEGCSA-N 1 0 324.381 1.333 20 5 DDBDRO COC(=O)N1CCC[C@@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819002005 704048872 /nfs/dbraw/zinc/04/88/72/704048872.db2.gz HEIWUBUIZBFBSM-OCCSQVGLSA-N 1 0 323.349 1.449 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CCOc2cccnc2)cc1 ZINC000819069625 704064892 /nfs/dbraw/zinc/06/48/92/704064892.db2.gz PUDIUUHTPQDNHV-OAHLLOKOSA-N 1 0 303.318 1.692 20 5 DDBDRO CC(C)[C@@H](C[NH+](C)C)OC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000870570243 704077449 /nfs/dbraw/zinc/07/74/49/704077449.db2.gz MJLLIYQQNGTHSG-GFCCVEGCSA-N 1 0 312.370 1.656 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[NH2+]C[C@H](O)c2ccccc2Cl)c1 ZINC000819175916 704081550 /nfs/dbraw/zinc/08/15/50/704081550.db2.gz DBERZZAMZNWISI-ZDUSSCGKSA-N 1 0 310.741 1.768 20 5 DDBDRO COC(=O)[C@H]1C[C@@H]([N@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000852695836 704101542 /nfs/dbraw/zinc/10/15/42/704101542.db2.gz GYLQUSUNUYXAAK-KWCYVHTRSA-N 1 0 308.334 1.512 20 5 DDBDRO CCC[C@@H](C)C(=O)NCC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819328670 704108167 /nfs/dbraw/zinc/10/81/67/704108167.db2.gz CXGFLOAPXWZHDY-IUODEOHRSA-N 1 0 323.393 1.770 20 5 DDBDRO CN(CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)CC(C)(C)[NH3+] ZINC000852755129 704115453 /nfs/dbraw/zinc/11/54/53/704115453.db2.gz ZDZCUGXJDHGKLX-UHFFFAOYSA-N 1 0 314.773 1.856 20 5 DDBDRO CCCN1C[C@@H](C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000819375901 704116046 /nfs/dbraw/zinc/11/60/46/704116046.db2.gz VEGJLGAHKYABTA-DOMZBBRYSA-N 1 0 321.377 1.476 20 5 DDBDRO Cc1c(C(=O)NCC[C@@H]([NH3+])C(C)C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000852868064 704154471 /nfs/dbraw/zinc/15/44/71/704154471.db2.gz MJCXKBWEOOFSPY-GFCCVEGCSA-N 1 0 324.337 1.915 20 5 DDBDRO Cc1nn(C)c(C(=O)N2CC[N@H+](C)C(C)(C)CC2)c1[N+](=O)[O-] ZINC000871152293 704231995 /nfs/dbraw/zinc/23/19/95/704231995.db2.gz AFGZONRWDVUQAV-UHFFFAOYSA-N 1 0 309.370 1.193 20 5 DDBDRO C[C@@H]1COCCN(Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)C1 ZINC000853503504 704252227 /nfs/dbraw/zinc/25/22/27/704252227.db2.gz HQIWOAWJKWHQPJ-LBPRGKRZSA-N 1 0 317.349 1.779 20 5 DDBDRO CN(CC1C[NH+](C)C1)Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000853553121 704266831 /nfs/dbraw/zinc/26/68/31/704266831.db2.gz BFBHZSAWLLSWKB-UHFFFAOYSA-N 1 0 315.377 1.909 20 5 DDBDRO C[NH+](C)CC1CN(C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000821009934 704358603 /nfs/dbraw/zinc/35/86/03/704358603.db2.gz HLEZDZSBHNBKBV-HUUCEWRRSA-N 1 0 303.362 1.718 20 5 DDBDRO COc1cc(Cc2noc(CC3([NH3+])CC3)n2)ccc1[N+](=O)[O-] ZINC000854142004 704360996 /nfs/dbraw/zinc/36/09/96/704360996.db2.gz CBWYVXKPEBKLKR-UHFFFAOYSA-N 1 0 304.306 1.611 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N(C)CC2C[NH+](C)C2)c1F ZINC000855641907 704494483 /nfs/dbraw/zinc/49/44/83/704494483.db2.gz RNOURLKMZYATGR-UHFFFAOYSA-N 1 0 313.304 1.815 20 5 DDBDRO C[C@H]([NH3+])CN(C)S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000858643290 704738902 /nfs/dbraw/zinc/73/89/02/704738902.db2.gz XVQHDRVLLOLXEL-ZETCQYMHSA-N 1 0 307.759 1.216 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000822152025 704885623 /nfs/dbraw/zinc/88/56/23/704885623.db2.gz QIGUGQPYYPCXJF-GFCCVEGCSA-N 1 0 309.370 1.041 20 5 DDBDRO CC[C@@H]1[NH2+]CC[C@H]1c1nc(Cc2ccc([N+](=O)[O-])cn2)no1 ZINC000822864041 705063764 /nfs/dbraw/zinc/06/37/64/705063764.db2.gz WWORJHYPBBAJCG-NEPJUHHUSA-N 1 0 303.322 1.819 20 5 DDBDRO Cc1nc([N+](=O)[O-])c(-c2noc([C@H]3C[C@]34CC[NH2+]C4)n2)n1C ZINC000823094654 705137824 /nfs/dbraw/zinc/13/78/24/705137824.db2.gz SIJUTGBHZNHXKZ-OQPBUACISA-N 1 0 304.310 1.154 20 5 DDBDRO CC(C)(C)n1nnc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)n1 ZINC000825903292 705743640 /nfs/dbraw/zinc/74/36/40/705743640.db2.gz BYLOBSOWWIFKPW-UHFFFAOYSA-N 1 0 319.369 1.302 20 5 DDBDRO Cn1cc(C[N@@H+]2CCC[C@@H](c3ccnn3C)C2)c([N+](=O)[O-])n1 ZINC000876626863 705790577 /nfs/dbraw/zinc/79/05/77/705790577.db2.gz KRLJXMAGRFBONE-LLVKDONJSA-N 1 0 304.354 1.441 20 5 DDBDRO Cc1nn(C)cc1[C@@H](C)[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877019478 705960326 /nfs/dbraw/zinc/96/03/26/705960326.db2.gz YMEUSFAABBUXJW-OIKLOGQESA-N 1 0 304.354 1.888 20 5 DDBDRO COC(=O)C1=CC[C@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000863572305 705961214 /nfs/dbraw/zinc/96/12/14/705961214.db2.gz NFWNZQSWROJFKL-GXTWGEPZSA-N 1 0 306.318 1.480 20 5 DDBDRO C[C@H]([NH2+][C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CC1(F)F ZINC000877037137 705967945 /nfs/dbraw/zinc/96/79/45/705967945.db2.gz LDQMVCNJEAUDBP-BXGBBSSXSA-N 1 0 316.304 1.622 20 5 DDBDRO Cc1c(CC(=O)N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)cccc1[N+](=O)[O-] ZINC000827300341 705971024 /nfs/dbraw/zinc/97/10/24/705971024.db2.gz MJACEPXRDOTZIK-GDBMZVCRSA-N 1 0 317.389 1.998 20 5 DDBDRO C[C@H]1C[C@@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CN1C1CC1 ZINC000877094865 705981409 /nfs/dbraw/zinc/98/14/09/705981409.db2.gz UYYBVPDBFLLFFY-WDBLDGLGSA-N 1 0 305.382 1.710 20 5 DDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]CCOc3ncccc3F)C2)c1 ZINC000877117159 705988608 /nfs/dbraw/zinc/98/86/08/705988608.db2.gz KUXFZKZSPLAZPJ-UHFFFAOYSA-N 1 0 321.312 1.698 20 5 DDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]CCc3ccc(CO)cc3)C2)c1 ZINC000877137989 705993948 /nfs/dbraw/zinc/99/39/48/705993948.db2.gz MBMXXKKNBWXOMR-UHFFFAOYSA-N 1 0 316.361 1.819 20 5 DDBDRO O=C(NCC[N@H+]1CC[C@H](O)C1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000863832220 706023899 /nfs/dbraw/zinc/02/38/99/706023899.db2.gz VOZAAMIGDRFXOF-VIFPVBQESA-N 1 0 313.741 1.045 20 5 DDBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877278130 706045743 /nfs/dbraw/zinc/04/57/43/706045743.db2.gz LXEYHHJPBMUKHK-CABCVRRESA-N 1 0 303.362 1.880 20 5 DDBDRO O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)c1ccccc1[N+](=O)[O-] ZINC000877336303 706068342 /nfs/dbraw/zinc/06/83/42/706068342.db2.gz IZRJXWNNXCSNKT-GFCCVEGCSA-N 1 0 319.361 1.483 20 5 DDBDRO O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)c1ccc([N+](=O)[O-])cc1 ZINC000877335261 706068513 /nfs/dbraw/zinc/06/85/13/706068513.db2.gz AHSWUHJNCWISSK-CQSZACIVSA-N 1 0 319.361 1.483 20 5 DDBDRO [NH3+]C[C@@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])C[C@@H]1C(F)(F)F ZINC000877371800 706084247 /nfs/dbraw/zinc/08/42/47/706084247.db2.gz VRNVSSAALVBFAK-SCZZXKLOSA-N 1 0 317.267 1.804 20 5 DDBDRO O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)[C@]1(F)CC[NH2+]C1 ZINC000827953873 706092951 /nfs/dbraw/zinc/09/29/51/706092951.db2.gz UYRMSMQBYXWBJP-AWEZNQCLSA-N 1 0 319.296 1.625 20 5 DDBDRO C[C@@H]1C[C@@H](N[C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000877831481 706226951 /nfs/dbraw/zinc/22/69/51/706226951.db2.gz UXWOMRDUAOLYJZ-WXYCVUISSA-N 1 0 323.393 1.061 20 5 DDBDRO O=C1CC[C@H]([NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCN1 ZINC000829352435 706322401 /nfs/dbraw/zinc/32/24/01/706322401.db2.gz LWUGLVVCQIWGFI-AWEZNQCLSA-N 1 0 318.377 1.386 20 5 DDBDRO NC(=O)[C@@H](F)C1CCN(Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000879040182 706569592 /nfs/dbraw/zinc/56/95/92/706569592.db2.gz AXQBILLXDBJNAM-ZDUSSCGKSA-N 1 0 313.304 1.769 20 5 DDBDRO O=[N+]([O-])c1ccccc1OCC[NH+]1CCC(CO)(CO)CC1 ZINC000879968134 706837695 /nfs/dbraw/zinc/83/76/95/706837695.db2.gz JDYWKJKXXBSEBI-UHFFFAOYSA-N 1 0 310.350 1.040 20 5 DDBDRO CCO[C@@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1)C[NH+](C)C ZINC000926826695 712908338 /nfs/dbraw/zinc/90/83/38/712908338.db2.gz ZVAZZXOKXJPUOT-ZDUSSCGKSA-N 1 0 310.354 1.683 20 5 DDBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000867307881 706954957 /nfs/dbraw/zinc/95/49/57/706954957.db2.gz DQPLNOAVOBHSPB-PSASIEDQSA-N 1 0 319.408 1.369 20 5 DDBDRO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000832731424 706971486 /nfs/dbraw/zinc/97/14/86/706971486.db2.gz LCALPLJXDHKBIF-QPUJVOFHSA-N 1 0 308.294 1.312 20 5 DDBDRO CNc1ccc(C(=O)N(C)C2CCC([NH3+])CC2)cc1[N+](=O)[O-] ZINC000832832686 706994404 /nfs/dbraw/zinc/99/44/04/706994404.db2.gz QBDJUBZAVJXHRT-UHFFFAOYSA-N 1 0 306.366 1.978 20 5 DDBDRO CCC[C@H]1C[NH2+]CCN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000834469936 707061325 /nfs/dbraw/zinc/06/13/25/707061325.db2.gz RVOOSTONXPEONJ-NSHDSACASA-N 1 0 322.321 1.717 20 5 DDBDRO O=C(N[C@H]1C[NH2+]CCC1(F)F)c1cc([N+](=O)[O-])ccc1Cl ZINC000834841231 707135198 /nfs/dbraw/zinc/13/51/98/707135198.db2.gz LCXJKVZQHMFJOL-JTQLQIEISA-N 1 0 319.695 1.975 20 5 DDBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](O)c1ccnn1C ZINC000927131444 712945330 /nfs/dbraw/zinc/94/53/30/712945330.db2.gz IPGPGDJRZJGGNP-LRDDRELGSA-N 1 0 318.377 1.973 20 5 DDBDRO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)c1cc(F)ccc1[N+](=O)[O-])C2 ZINC000872266008 707355606 /nfs/dbraw/zinc/35/56/06/707355606.db2.gz RNYAMAQYRRQYTL-GASCZTMLSA-N 1 0 307.325 1.806 20 5 DDBDRO CN1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)Cc2cccnc21 ZINC000872317950 707380500 /nfs/dbraw/zinc/38/05/00/707380500.db2.gz DCNVNVAUKPAJAV-UHFFFAOYSA-N 1 0 302.338 1.138 20 5 DDBDRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2c1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000872779584 707596762 /nfs/dbraw/zinc/59/67/62/707596762.db2.gz GTERTWXKJNRIIW-KGLIPLIRSA-N 1 0 306.366 1.342 20 5 DDBDRO CNC(=O)c1ccc(N2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)c([N+](=O)[O-])c1 ZINC000872781605 707597756 /nfs/dbraw/zinc/59/77/56/707597756.db2.gz VZKYNHHMICEPEL-OLZOCXBDSA-N 1 0 318.377 1.627 20 5 DDBDRO C[NH+](C)CC(C)(C)NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000837239100 707603004 /nfs/dbraw/zinc/60/30/04/707603004.db2.gz ISDNMHCADAOCQW-UHFFFAOYSA-N 1 0 323.349 1.243 20 5 DDBDRO Cc1c(C[NH2+][C@@H](C)CCS(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000873078931 707721945 /nfs/dbraw/zinc/72/19/45/707721945.db2.gz UPTWWVYKEDJVLP-JTQLQIEISA-N 1 0 300.380 1.816 20 5 DDBDRO Cc1c(C[NH2+]C[C@H]2CCCCN2CCO)cccc1[N+](=O)[O-] ZINC000873129994 707743114 /nfs/dbraw/zinc/74/31/14/707743114.db2.gz XMWJEOOPMSKYRE-OAHLLOKOSA-N 1 0 307.394 1.840 20 5 DDBDRO O=[N+]([O-])c1ccc(CN2CCC([NH2+]CCO)CC2)cc1Cl ZINC000873217683 707773582 /nfs/dbraw/zinc/77/35/82/707773582.db2.gz OROBPHULJYJTMR-UHFFFAOYSA-N 1 0 313.785 1.795 20 5 DDBDRO C[C@H]1CN(c2c([N+](=O)[O-])ncn2C)CCN1c1cc[nH+]cc1 ZINC000882822375 707809693 /nfs/dbraw/zinc/80/96/93/707809693.db2.gz GRSJZPLEVIYXSJ-NSHDSACASA-N 1 0 302.338 1.438 20 5 DDBDRO [NH3+]CCN(CCOc1ccccc1[N+](=O)[O-])CC(F)(F)F ZINC000883444989 708003813 /nfs/dbraw/zinc/00/38/13/708003813.db2.gz ARFZUOSKILECGD-UHFFFAOYSA-N 1 0 307.272 1.797 20 5 DDBDRO CC[C@@H](CN1CCOCC1)[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000896615989 708096568 /nfs/dbraw/zinc/09/65/68/708096568.db2.gz DUYNODQNFDGOKV-HSBZDZAISA-N 1 0 323.397 1.195 20 5 DDBDRO CN(C)c1cc[nH+]c(CNC(=O)c2ccc([N+](=O)[O-])n2C)c1 ZINC000927707311 713036212 /nfs/dbraw/zinc/03/62/12/713036212.db2.gz KZJGUIJXIZTWNO-UHFFFAOYSA-N 1 0 303.322 1.324 20 5 DDBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCCc1nnnn1C ZINC000898039835 708525895 /nfs/dbraw/zinc/52/58/95/708525895.db2.gz HQSVFQDQKGSHGD-GFCCVEGCSA-N 1 0 318.381 1.662 20 5 DDBDRO CN(C)c1cc[nH+]c(CNC(=O)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000927709700 713036993 /nfs/dbraw/zinc/03/69/93/713036993.db2.gz FVHGYVWOMDLLMH-UHFFFAOYSA-N 1 0 314.345 1.915 20 5 DDBDRO C[N@@H+]1C[C@@H]2CN(C(=O)Cc3cccc(F)c3[N+](=O)[O-])C[C@]2(C)C1 ZINC000887924350 709165064 /nfs/dbraw/zinc/16/50/64/709165064.db2.gz HQGDOZLUGIWVSU-WBMJQRKESA-N 1 0 321.352 1.687 20 5 DDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCC([NH+]2CCC2)CC1 ZINC000912884788 713114017 /nfs/dbraw/zinc/11/40/17/713114017.db2.gz SNRBYFCUCGPQRG-UHFFFAOYSA-N 1 0 303.362 1.834 20 5 DDBDRO CNc1ccc(C(=O)N2CC[C@H]([NH+]3CCC3)C2)cc1[N+](=O)[O-] ZINC000912926087 713127093 /nfs/dbraw/zinc/12/70/93/713127093.db2.gz YUNWSWYMYVMUFA-LBPRGKRZSA-N 1 0 304.350 1.557 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1NCCN1CCc2sccc2C1 ZINC000891966326 710341710 /nfs/dbraw/zinc/34/17/10/710341710.db2.gz NAVWBURNMPIBDZ-UHFFFAOYSA-N 1 0 307.379 1.860 20 5 DDBDRO Cc1ccc(CNC(=O)N[C@H]2CC[NH2+][C@@H](C)C2)cc1[N+](=O)[O-] ZINC000892096663 710371441 /nfs/dbraw/zinc/37/14/41/710371441.db2.gz JMZWLNXHHSYGLV-AAEUAGOBSA-N 1 0 306.366 1.843 20 5 DDBDRO CC(C)OCC[NH+]1CCC(Nc2c([N+](=O)[O-])cnn2C)CC1 ZINC000892781615 710497579 /nfs/dbraw/zinc/49/75/79/710497579.db2.gz BUYUGVYABFYUHR-UHFFFAOYSA-N 1 0 311.386 1.630 20 5 DDBDRO C[NH+]1C[C@]2(C)CN(C(=O)c3c(N)cccc3[N+](=O)[O-])C[C@@]2(C)C1 ZINC000913286077 713191615 /nfs/dbraw/zinc/19/16/15/713191615.db2.gz YRDFMULBILLXLT-HZPDHXFCSA-N 1 0 318.377 1.591 20 5 DDBDRO O=[N+]([O-])c1ccn(C2CCN(c3cc[nH+]cc3CO)CC2)n1 ZINC000893546090 710699806 /nfs/dbraw/zinc/69/98/06/710699806.db2.gz PIJXAZXSYXRUBC-UHFFFAOYSA-N 1 0 303.322 1.520 20 5 DDBDRO C[C@H]1[C@H](NC(=O)CSc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000928452782 713203662 /nfs/dbraw/zinc/20/36/62/713203662.db2.gz JKDBAAREQHFQDM-GXFFZTMASA-N 1 0 309.391 1.896 20 5 DDBDRO CCOc1ccc(C(=O)NC[C@H]2CC[N@@H+]2CC)cc1[N+](=O)[O-] ZINC000893872773 710867223 /nfs/dbraw/zinc/86/72/23/710867223.db2.gz VFTKPFOEBANLGB-GFCCVEGCSA-N 1 0 307.350 1.818 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1C[C@]2(C)C[N@H+](C)C[C@]2(C)C1 ZINC000902806551 710907630 /nfs/dbraw/zinc/90/76/30/710907630.db2.gz LXOYNBGDWASQGO-GASCZTMLSA-N 1 0 306.366 1.347 20 5 DDBDRO COc1cc([C@H](C)[NH2+]CCN2CC[C@H](O)C2)cc([N+](=O)[O-])c1 ZINC000903209502 711067008 /nfs/dbraw/zinc/06/70/08/711067008.db2.gz LWSCCXWDWCMLQL-FZMZJTMJSA-N 1 0 309.366 1.321 20 5 DDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1C[C@]2(C)C[N@H+](C)C[C@]2(C)C1 ZINC000894803453 711276683 /nfs/dbraw/zinc/27/66/83/711276683.db2.gz YXBQDSBACCSYMK-GASCZTMLSA-N 1 0 307.398 1.898 20 5 DDBDRO COc1cc(CN2C[C@@H]([NH3+])C(C)(C)C2)c([N+](=O)[O-])cc1OC ZINC000903984568 711358977 /nfs/dbraw/zinc/35/89/77/711358977.db2.gz JFAJSPOWFHDKAS-CQSZACIVSA-N 1 0 309.366 1.781 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(c3ccc4nonc4c3[N+](=O)[O-])CC[C@H]21 ZINC000895021673 711372679 /nfs/dbraw/zinc/37/26/79/711372679.db2.gz HUOXPPDSBAEUGC-MWLCHTKSSA-N 1 0 303.322 1.661 20 5 DDBDRO CCC[C@@H]1CN(c2nccc(C(=O)OCC)c2[N+](=O)[O-])CC[NH2+]1 ZINC000895057130 711391024 /nfs/dbraw/zinc/39/10/24/711391024.db2.gz DPCLPBGAVKLWTJ-LLVKDONJSA-N 1 0 322.365 1.745 20 5 DDBDRO C[C@@H]1[C@H](Nc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)CC[N@@H+]1C ZINC000895735271 711590475 /nfs/dbraw/zinc/59/04/75/711590475.db2.gz CBRDJOPBCDHFMI-RNFRBKRXSA-N 1 0 307.276 1.852 20 5 DDBDRO C[C@@H]1[C@H](Nc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000895737535 711590875 /nfs/dbraw/zinc/59/08/75/711590875.db2.gz AZFLAUXCEGRXHF-ZWNOBZJWSA-N 1 0 318.377 1.992 20 5 DDBDRO C[C@H]1[C@@H](Nc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC[N@@H+]1C ZINC000895739554 711591646 /nfs/dbraw/zinc/59/16/46/711591646.db2.gz GWAMZUUMLUEGIS-IUCAKERBSA-N 1 0 306.322 1.430 20 5 DDBDRO C[N@@H+]1CC[C@H]1CNc1cc(CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000895771330 711602202 /nfs/dbraw/zinc/60/22/02/711602202.db2.gz YHOLMYRLUUFVMP-AWEZNQCLSA-N 1 0 320.393 1.543 20 5 DDBDRO Cc1c(C(=O)N2CCC(O)(C[NH+](C)C)CC2)cccc1[N+](=O)[O-] ZINC000913683124 713280426 /nfs/dbraw/zinc/28/04/26/713280426.db2.gz OIIJPTQSTKDILE-UHFFFAOYSA-N 1 0 321.377 1.432 20 5 DDBDRO C[NH+]1CCN(CCOc2ccc(NCC[N+](=O)[O-])cc2)CC1 ZINC000905331533 712004708 /nfs/dbraw/zinc/00/47/08/712004708.db2.gz XSWDXSJXFAJEME-UHFFFAOYSA-N 1 0 308.382 1.001 20 5 DDBDRO CC(C)(C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CC(F)F ZINC000905422927 712034216 /nfs/dbraw/zinc/03/42/16/712034216.db2.gz LKABRVPNDFBQFH-JTQLQIEISA-N 1 0 306.313 1.423 20 5 DDBDRO CO[C@@]1(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCSC1 ZINC000905547252 712073244 /nfs/dbraw/zinc/07/32/44/712073244.db2.gz VFVQIVVTFPJFJA-ZIAGYGMSSA-N 1 0 312.391 1.740 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=S)NCC[NH+](C)C ZINC000917594105 713505884 /nfs/dbraw/zinc/50/58/84/713505884.db2.gz FJTZGSGFROWNMS-UHFFFAOYSA-N 1 0 312.395 1.129 20 5 DDBDRO C[C@@H](CN1C(=O)N[C@H](C[NH+](C)C)C1=O)c1ccccc1[N+](=O)[O-] ZINC000928999992 713522810 /nfs/dbraw/zinc/52/28/10/713522810.db2.gz AFGVDBPSUDNFHG-CMPLNLGQSA-N 1 0 320.349 1.180 20 5 DDBDRO C[N@H+](CCN1CCN(CC[N+](=O)[O-])CC1)Cc1ccccc1 ZINC000929606465 713650602 /nfs/dbraw/zinc/65/06/02/713650602.db2.gz NMRYKYLGZILKET-UHFFFAOYSA-N 1 0 306.410 1.013 20 5 DDBDRO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](CC[N+](=O)[O-])C1 ZINC000930032437 713739993 /nfs/dbraw/zinc/73/99/93/713739993.db2.gz QMTPTTGFHXABAF-NWDGAFQWSA-N 1 0 301.387 1.888 20 5 DDBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H]1C[C@@H]2COC[C@H]2O1 ZINC000930353100 713811792 /nfs/dbraw/zinc/81/17/92/713811792.db2.gz HFWIBODEMPHSNK-VNQPRFMTSA-N 1 0 306.362 1.873 20 5 DDBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H](O)C1(O)CCCC1 ZINC000930353759 713811911 /nfs/dbraw/zinc/81/19/11/713811911.db2.gz NGXQTUFBEMNYCH-HNNXBMFYSA-N 1 0 308.378 1.735 20 5 DDBDRO CN(CC(C)(C)C[NH+](C)C)C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000930618482 713878792 /nfs/dbraw/zinc/87/87/92/713878792.db2.gz MQDLRWOBQITURJ-UHFFFAOYSA-N 1 0 309.370 1.463 20 5 DDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]([NH+](C)C)[C@H]1C ZINC000931043510 713989387 /nfs/dbraw/zinc/98/93/87/713989387.db2.gz KQVFMJNVKQMAAN-LALPHHSUSA-N 1 0 320.393 1.946 20 5 DDBDRO C[C@H]1[C@H]([NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CCN1C ZINC000922556752 714087839 /nfs/dbraw/zinc/08/78/39/714087839.db2.gz JKTKCGRYKMGLSF-CMPLNLGQSA-N 1 0 307.350 1.548 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CC[C@@H](C3OCCO3)C2)cc1 ZINC000932003466 714230811 /nfs/dbraw/zinc/23/08/11/714230811.db2.gz PWASTLKWPCSLRX-TZMCWYRMSA-N 1 0 308.334 1.323 20 5 DDBDRO C[C@@H]([NH2+]C[C@H](O)COC1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000932178958 714279824 /nfs/dbraw/zinc/27/98/24/714279824.db2.gz COHKRLRGUDJPNG-DOMZBBRYSA-N 1 0 324.377 1.802 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000923264706 714289154 /nfs/dbraw/zinc/28/91/54/714289154.db2.gz MFRKESDBCRHWAF-NWANDNLSSA-N 1 0 319.361 1.323 20 5 DDBDRO CC1(C)CC[NH2+]CCN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000923413716 714348030 /nfs/dbraw/zinc/34/80/30/714348030.db2.gz HBUXRIBGUJSVGW-CYBMUJFWSA-N 1 0 323.393 1.408 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@H](CC(C)C)[NH+](C)C ZINC000932692842 714389572 /nfs/dbraw/zinc/38/95/72/714389572.db2.gz FROWHHFDQWOBSE-LBPRGKRZSA-N 1 0 311.386 1.192 20 5 DDBDRO O=C1N[C@@H](C2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)CO1 ZINC000932780953 714412142 /nfs/dbraw/zinc/41/21/42/714412142.db2.gz WSICODXANWPYNB-CQSZACIVSA-N 1 0 305.334 1.915 20 5 DDBDRO CCO[C@H]1CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000932979085 714448328 /nfs/dbraw/zinc/44/83/28/714448328.db2.gz FSEYOOSRCGHGRP-ZFWWWQNUSA-N 1 0 310.350 1.445 20 5 DDBDRO O=[N+]([O-])c1ccc(CN2CC[C@H]3[C@H]2CCC[N@H+]3CCO)cc1 ZINC000934255064 714776032 /nfs/dbraw/zinc/77/60/32/714776032.db2.gz OJJICVSFFDOSSH-CVEARBPZSA-N 1 0 305.378 1.626 20 5 DDBDRO CC1(C)C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]2CCC[C@@H]21 ZINC000934763120 714897044 /nfs/dbraw/zinc/89/70/44/714897044.db2.gz YPFODDBSGORYJY-HZSPNIEDSA-N 1 0 308.382 1.663 20 5 DDBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)Cn1c(C)ncc1[N+](=O)[O-] ZINC000936057368 715146593 /nfs/dbraw/zinc/14/65/93/715146593.db2.gz KFULLBDQFWEJMB-LLVKDONJSA-N 1 0 311.386 1.336 20 5 DDBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC001164643442 719217656 /nfs/dbraw/zinc/21/76/56/719217656.db2.gz YVJKPLLLUMSRBP-QWRGUYRKSA-N 1 0 322.365 1.695 20 5 DDBDRO C[N@@H+]1CCO[C@H]2CN(c3nccc4ccc([N+](=O)[O-])cc43)C[C@H]21 ZINC001164674826 719425675 /nfs/dbraw/zinc/42/56/75/719425675.db2.gz XOBFLWRFKXMHKS-CABCVRRESA-N 1 0 314.345 1.662 20 5 DDBDRO O=C(NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccnnc1 ZINC001167277776 732887277 /nfs/dbraw/zinc/88/72/77/732887277.db2.gz YISBIAORQRIABS-UHFFFAOYSA-N 1 0 315.333 1.295 20 5 DDBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1)c1ccon1 ZINC001021869952 733631392 /nfs/dbraw/zinc/63/13/92/733631392.db2.gz NROCDCFITGWLTR-AOOOYVTPSA-N 1 0 322.346 1.695 20 5 DDBDRO Cc1ncc(C[NH3+])c(=N)n1-c1ncnc2sc([N+](=O)[O-])cc21 ZINC001167673267 735273345 /nfs/dbraw/zinc/27/33/45/735273345.db2.gz SKBFLMPGPXSLOM-UHFFFAOYSA-N 1 0 317.334 1.032 20 5 DDBDRO C[C@@H]1CCCC[N@@H+]1CCCNc1cc([N+](=O)[O-])c(=O)n(C)c1 ZINC001167751023 737701745 /nfs/dbraw/zinc/70/17/45/737701745.db2.gz DJMOUXAGUSFNSO-GFCCVEGCSA-N 1 0 308.382 1.970 20 5 DDBDRO Cc1c[nH]c(C(=O)NCCC[NH2+]Cc2csc([N+](=O)[O-])c2)n1 ZINC001167957486 740081936 /nfs/dbraw/zinc/08/19/36/740081936.db2.gz XFLGMVYCYSHXFQ-UHFFFAOYSA-N 1 0 323.378 1.598 20 5 DDBDRO COC(=O)Cc1ccc(NC2C[NH+](C(C)C)C2)cc1[N+](=O)[O-] ZINC001168314698 742181736 /nfs/dbraw/zinc/18/17/36/742181736.db2.gz QWPUQZOSCIXIAA-UHFFFAOYSA-N 1 0 307.350 1.815 20 5 DDBDRO O=C(NCC[NH2+]Cc1ccc(Cl)cc1F)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126932289 742777268 /nfs/dbraw/zinc/77/72/68/742777268.db2.gz QRBDMUPDHXPALJ-ZYHUDNBSSA-N 1 0 315.732 1.350 20 5 DDBDRO CCc1ccccc1CC[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126936427 742833026 /nfs/dbraw/zinc/83/30/26/742833026.db2.gz HDKNDJUYFJKCAX-HUUCEWRRSA-N 1 0 305.378 1.163 20 5 DDBDRO C[NH+](C)[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)C12CCC2 ZINC001187034858 744496412 /nfs/dbraw/zinc/49/64/12/744496412.db2.gz ORXLVERQVFKGFX-UONOGXRCSA-N 1 0 318.377 1.978 20 5 DDBDRO Cc1ccc(C[NH+]2CC(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cc1C ZINC001031662405 747337499 /nfs/dbraw/zinc/33/74/99/747337499.db2.gz DOKYILMIMIVMKM-HZPDHXFCSA-N 1 0 317.389 1.517 20 5 DDBDRO O=[N+]([O-])c1cc(F)c(CN2C[C@H](CO)[C@H](CCO)C2)c(F)c1 ZINC001198755102 747599632 /nfs/dbraw/zinc/59/96/32/747599632.db2.gz XKVFQBZOMOBVQL-NXEZZACHSA-N 1 0 316.304 1.296 20 5 DDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([NH2+]CCCC2CCC2)CC1 ZINC001200472111 748265549 /nfs/dbraw/zinc/26/55/49/748265549.db2.gz MOGKGZKQAQFVCJ-HUUCEWRRSA-N 1 0 309.410 1.813 20 5 DDBDRO CC[NH+](CC)CC(=O)NCCCN(C)c1ccccc1[N+](=O)[O-] ZINC001095567329 750045553 /nfs/dbraw/zinc/04/55/53/750045553.db2.gz YTSJTKWOYPSHEV-UHFFFAOYSA-N 1 0 322.409 1.879 20 5 DDBDRO [NH3+]Cc1ccc2ncn(-c3c(F)c([N+](=O)[O-])cc[n+]3[O-])c2c1 ZINC001168841278 762065241 /nfs/dbraw/zinc/06/52/41/762065241.db2.gz PRJIEVKEPJYYTE-UHFFFAOYSA-N 1 0 303.253 1.165 20 5 DDBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)Nc2cccnn2)cc1[N+](=O)[O-] ZINC001168552316 750814479 /nfs/dbraw/zinc/81/44/79/750814479.db2.gz DDOAROGSPZWTJJ-LLVKDONJSA-N 1 0 315.333 1.983 20 5 DDBDRO Cn1cc(Br)c(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)n1 ZINC001168979193 762148283 /nfs/dbraw/zinc/14/82/83/762148283.db2.gz WZVHRNJBZUPGNL-BDAKNGLRSA-N 1 0 317.187 1.718 20 5 DDBDRO C[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168970442 762159496 /nfs/dbraw/zinc/15/94/96/762159496.db2.gz HPHHPXAWDCGTRN-WOPDTQHZSA-N 1 0 301.387 1.935 20 5 DDBDRO O=C1C=CC(=O)N1CCCCC[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168974427 762164004 /nfs/dbraw/zinc/16/40/04/762164004.db2.gz QGQPJQZYRPXDBG-QWHCGFSZSA-N 1 0 309.366 1.117 20 5 DDBDRO COc1cccc(C2([NH2+][C@H]3CC[C@H](C[N+](=O)[O-])C3)COC2)c1 ZINC001168997068 762170154 /nfs/dbraw/zinc/17/01/54/762170154.db2.gz XEWQXJSPZZLDCW-JSGCOSHPSA-N 1 0 306.362 1.956 20 5 DDBDRO CCOC(=O)C1=C(O)CC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169029691 762186360 /nfs/dbraw/zinc/18/63/60/762186360.db2.gz VFSCUCSJTKGPJQ-YNEHKIRRSA-N 1 0 312.366 1.276 20 5 DDBDRO COc1cc(N2CC[NH+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)ncn1 ZINC001169041029 762194617 /nfs/dbraw/zinc/19/46/17/762194617.db2.gz ANSXZRGHAKJULM-STQMWFEESA-N 1 0 321.381 1.053 20 5 DDBDRO CCN1C(=O)CCC12CC[NH+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169018974 762199110 /nfs/dbraw/zinc/19/91/10/762199110.db2.gz FVMGVSFYEZHVLY-ZIAGYGMSSA-N 1 0 309.410 1.909 20 5 DDBDRO CC(C)(C)OC(=O)c1ccc(-n2nncc2C[NH3+])cc1[N+](=O)[O-] ZINC001169309651 762357284 /nfs/dbraw/zinc/35/72/84/762357284.db2.gz HLGJYTRUGLJLBM-UHFFFAOYSA-N 1 0 319.321 1.590 20 5 DDBDRO O=C(NCC1CC[NH+](Cc2cncs2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001001398461 762824334 /nfs/dbraw/zinc/82/43/34/762824334.db2.gz FLYZLOLJBHPAHT-CHWSQXEVSA-N 1 0 324.406 1.137 20 5 DDBDRO O=[N+]([O-])c1c(Cl)nc(C2CC2)nc1NC[C@H]1COCC[NH2+]1 ZINC001170035177 764259860 /nfs/dbraw/zinc/25/98/60/764259860.db2.gz JJYPHIVGWKYBFB-QMMMGPOBSA-N 1 0 313.745 1.316 20 5 DDBDRO COc1ccc(C[C@@H](C)[NH2+]C[C@H]2COCCN2C)c([N+](=O)[O-])c1 ZINC001170305787 766231223 /nfs/dbraw/zinc/23/12/23/766231223.db2.gz PQCWWQRSXLIPPK-OCCSQVGLSA-N 1 0 323.393 1.455 20 5 DDBDRO CCCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 ZINC001048525472 769493578 /nfs/dbraw/zinc/49/35/78/769493578.db2.gz WVFVAUIFZNYYGA-XLWJZTARSA-N 1 0 309.410 1.811 20 5 DDBDRO O=C1CC[C@@H](C[NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CN1 ZINC001172899937 776914749 /nfs/dbraw/zinc/91/47/49/776914749.db2.gz FHXBSCAFAONFDN-SWLSCSKDSA-N 1 0 317.389 1.958 20 5 DDBDRO C[C@@H](CO)[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173007494 776960111 /nfs/dbraw/zinc/96/01/11/776960111.db2.gz RGTDNRHVFMTLGK-VIFPVBQESA-N 1 0 315.320 1.812 20 5 DDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCN(C2COC2)CC1 ZINC001173226140 777061176 /nfs/dbraw/zinc/06/11/76/777061176.db2.gz LDHJPDFOFONEEE-ZDUSSCGKSA-N 1 0 305.378 1.542 20 5 DDBDRO CCC[N@H+](C)CC(=O)N(C)CCNc1ncccc1[N+](=O)[O-] ZINC001101704642 777413358 /nfs/dbraw/zinc/41/33/58/777413358.db2.gz UJRIVPCPGSWELR-UHFFFAOYSA-N 1 0 309.370 1.202 20 5 DDBDRO Cc1noc(C[N@@H+]2CCCCCCNC(=O)CC2)c1[N+](=O)[O-] ZINC001175230507 777722320 /nfs/dbraw/zinc/72/23/20/777722320.db2.gz WEZGUGOKSOOUTO-UHFFFAOYSA-N 1 0 310.354 1.774 20 5 DDBDRO Cc1c(C(=O)N2CC([NH2+][C@@H]3CCOC3)C2)cccc1[N+](=O)[O-] ZINC001179008681 779259770 /nfs/dbraw/zinc/25/97/70/779259770.db2.gz PXOSMIQDWRQVEF-LLVKDONJSA-N 1 0 305.334 1.106 20 5 DDBDRO Cc1cnoc1C(=O)NCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001267225027 837561059 /nfs/dbraw/zinc/56/10/59/837561059.db2.gz OUNHAAYQSPMRNE-UHFFFAOYSA-N 1 0 318.333 1.753 20 5 DDBDRO CCC(CC)Nc1cc[nH+]cc1NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC001326798258 861616970 /nfs/dbraw/zinc/61/69/70/861616970.db2.gz CFMKKXHRKXKTAY-UHFFFAOYSA-N 1 0 318.337 1.988 20 5 DDBDRO O=C(N[C@H]1CC[C@H](C[NH2+]C/C=C\Cl)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001272726443 846724233 /nfs/dbraw/zinc/72/42/33/846724233.db2.gz DHTVUNWODUCIES-SPYGVBLXSA-N 1 0 315.801 1.669 20 5 DDBDRO Cn1nccc1C(=O)NCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001155474104 862130421 /nfs/dbraw/zinc/13/04/21/862130421.db2.gz NLSZGQSCQVDENB-UHFFFAOYSA-N 1 0 323.378 1.300 20 5 DDBDRO O=[N+]([O-])c1cccc2ccc(NC[C@@H]3CO[C@@H]4C[NH2+]C[C@H]34)nc21 ZINC001155482798 862143250 /nfs/dbraw/zinc/14/32/50/862143250.db2.gz FKXWCDLUTDWYIR-YRGRVCCFSA-N 1 0 314.345 1.789 20 5 DDBDRO O=[N+]([O-])c1cccc2ccc(N[C@H]3C[NH2+][C@@H]4CCO[C@@H]43)nc21 ZINC001155636741 862319845 /nfs/dbraw/zinc/31/98/45/862319845.db2.gz NMPQZHKPCAGOCN-ZETOZRRWSA-N 1 0 300.318 1.684 20 5 DDBDRO Cc1ncc(C(=O)NCCC[NH2+]Cc2csc([N+](=O)[O-])c2)[nH]1 ZINC001155768360 862439580 /nfs/dbraw/zinc/43/95/80/862439580.db2.gz ZOJCCWRIKOHZMK-UHFFFAOYSA-N 1 0 323.378 1.598 20 5 DDBDRO CCn1c([C@H](C)[N+](=O)[O-])nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001121794117 858598341 /nfs/dbraw/zinc/59/83/41/858598341.db2.gz WMZWWXYOIOLOHX-LBPRGKRZSA-N 1 0 310.402 1.556 20 5 DDBDRO COc1ccc(C(=O)NCC[C@@H]2C[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC001122147097 858697175 /nfs/dbraw/zinc/69/71/75/858697175.db2.gz VRQCBRWQWGELND-ZYHUDNBSSA-N 1 0 307.350 1.579 20 5 DDBDRO [NH3+][C@@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)C[C@H]1C(F)(F)F ZINC001122240372 858723151 /nfs/dbraw/zinc/72/31/51/858723151.db2.gz QVJTVUJWCNNYCS-GHMZBOCLSA-N 1 0 317.267 1.485 20 5 DDBDRO O=C(NC[C@]12CCC[C@H]1[NH2+]CC2)c1cc(F)cc([N+](=O)[O-])c1 ZINC001122281453 858737407 /nfs/dbraw/zinc/73/74/07/858737407.db2.gz OFLFBYHHCFWSGQ-UKRRQHHQSA-N 1 0 307.325 1.996 20 5 DDBDRO COCC[C@@H]1C[NH2+]CCN1C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC001122313589 858749002 /nfs/dbraw/zinc/74/90/02/858749002.db2.gz ODWYWFLTXZWKTR-CYBMUJFWSA-N 1 0 307.350 1.354 20 5 DDBDRO CCN(C(=O)CN(C)c1ccccc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC001122610255 858910202 /nfs/dbraw/zinc/91/02/02/858910202.db2.gz TWMCSCAXANQINE-ZDUSSCGKSA-N 1 0 320.393 1.632 20 5 DDBDRO CC[N@@H+]1CC[C@@H](CNC(=O)Nc2c(C)cncc2[N+](=O)[O-])C1 ZINC001203061448 860686176 /nfs/dbraw/zinc/68/61/76/860686176.db2.gz OAVJTOQLHCUIBC-NSHDSACASA-N 1 0 307.354 1.183 20 5 DDBDRO CNc1ccc(C(=O)N2C[C@H]3CC[N@H+](C)[C@H]3C2)cc1[N+](=O)[O-] ZINC001141196752 860807318 /nfs/dbraw/zinc/80/73/18/860807318.db2.gz LSULSESLIOACHR-RISCZKNCSA-N 1 0 304.350 1.413 20 5 DDBDRO O=C(NCCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1cncnc1 ZINC001156981782 863497466 /nfs/dbraw/zinc/49/74/66/863497466.db2.gz MJJIVWICIDMGLK-UHFFFAOYSA-N 1 0 321.362 1.356 20 5 DDBDRO COc1nc(C)c([N+](=O)[O-])c(N2CC[C@@H]([N@H+](C)C(C)C)C2)n1 ZINC001157010831 863516257 /nfs/dbraw/zinc/51/62/57/863516257.db2.gz TZHCSYMTCVJHCL-LLVKDONJSA-N 1 0 309.370 1.621 20 5 DDBDRO Cc1c[nH]nc1C(=O)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001157670082 864033228 /nfs/dbraw/zinc/03/32/28/864033228.db2.gz REUTUZMJXGWWIS-UHFFFAOYSA-N 1 0 317.349 1.536 20 5 DDBDRO Cc1c[nH]nc1C(=O)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001157669848 864034287 /nfs/dbraw/zinc/03/42/87/864034287.db2.gz HEPGXSSOGOYMAZ-UHFFFAOYSA-N 1 0 317.349 1.536 20 5 DDBDRO O=C(NCCC[NH2+]CCCCc1ccccc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157767468 864117987 /nfs/dbraw/zinc/11/79/87/864117987.db2.gz NOERSCJPUIEUCB-HZPDHXFCSA-N 1 0 319.405 1.770 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(-n2cc3c(n2)CC[C@@H]([NH3+])C3)nc1Cl ZINC001157990805 864337489 /nfs/dbraw/zinc/33/74/89/864337489.db2.gz YIPPINISABFHOH-SECBINFHSA-N 1 0 307.741 1.953 20 5 DDBDRO [NH3+]CCc1cnn(-c2cc3ncnc(Cl)c3cc2[N+](=O)[O-])c1 ZINC001158099897 864427414 /nfs/dbraw/zinc/42/74/14/864427414.db2.gz ZXKGGUCLZAXSLO-UHFFFAOYSA-N 1 0 318.724 1.878 20 5 DDBDRO CCN(c1ncc(C(=O)OC)cc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC001158201066 864484747 /nfs/dbraw/zinc/48/47/47/864484747.db2.gz SPTIHSXZEYEWKG-LLVKDONJSA-N 1 0 308.338 1.355 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CCC(N3CC[C@@H]([NH3+])C3)CC2)n1 ZINC001158262850 864526275 /nfs/dbraw/zinc/52/62/75/864526275.db2.gz WOZGIVDEMVHCJC-CYBMUJFWSA-N 1 0 319.409 1.608 20 5 DDBDRO C[NH+](C)CC1CN(C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001158503650 864694917 /nfs/dbraw/zinc/69/49/17/864694917.db2.gz MWSJOOBHJHBTHD-UHFFFAOYSA-N 1 0 311.769 1.811 20 5 DDBDRO O=C(NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1cc[nH]c1 ZINC001158594916 864749485 /nfs/dbraw/zinc/74/94/85/864749485.db2.gz HHOJWBDSZVIEIY-UHFFFAOYSA-N 1 0 302.334 1.833 20 5 DDBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001159657631 865451932 /nfs/dbraw/zinc/45/19/32/865451932.db2.gz NKTGECYUAHAHMC-BQBZGAKWSA-N 1 0 301.734 1.136 20 5 DDBDRO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1cc([N+](=O)[O-])cc(Cl)n1 ZINC001159750740 865502082 /nfs/dbraw/zinc/50/20/82/865502082.db2.gz QHBYGDPRWHZYTM-RKDXNWHRSA-N 1 0 314.729 1.206 20 5 DDBDRO Cc1nc(N[C@@H]2CC[NH2+]C[C@H]2C(F)(F)F)ncc1[N+](=O)[O-] ZINC001160745879 866093999 /nfs/dbraw/zinc/09/39/99/866093999.db2.gz ZVUFIVPBKWLESW-HTQZYQBOSA-N 1 0 305.260 1.646 20 5 DDBDRO O=C1CCCCN1CCNc1cc2c(cc1[N+](=O)[O-])C[NH2+]C2 ZINC001161941419 867123421 /nfs/dbraw/zinc/12/34/21/867123421.db2.gz UBJYHWSOVAMHCA-UHFFFAOYSA-N 1 0 304.350 1.622 20 5 DDBDRO CC1(C)C[NH2+]C[C@H](CNc2ncc(Cl)cc2[N+](=O)[O-])O1 ZINC001161950499 867133446 /nfs/dbraw/zinc/13/34/46/867133446.db2.gz JCRQIAHXFDHQMJ-SECBINFHSA-N 1 0 300.746 1.822 20 5 DDBDRO COc1cc2ncnc(N[C@H]3C[C@@](C)([NH3+])C3)c2cc1[N+](=O)[O-] ZINC001162328354 867455738 /nfs/dbraw/zinc/45/57/38/867455738.db2.gz PEFIBMXJGHXFAI-XZWHAEGMSA-N 1 0 303.322 1.838 20 5 DDBDRO C[C@H]1C[NH2+]CCC[C@H]1CNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC001162452116 867543086 /nfs/dbraw/zinc/54/30/86/867543086.db2.gz AYNCCIHOOGCNKH-UWVGGRQHSA-N 1 0 307.354 1.136 20 5 DDBDRO Cn1cc(N2C[C@H]([NH3+])Cc3ccccc32)cc([N+](=O)[O-])c1=O ZINC001162847516 867863263 /nfs/dbraw/zinc/86/32/63/867863263.db2.gz RVSRTJATNNRHHF-LLVKDONJSA-N 1 0 300.318 1.315 20 5 DDBDRO [NH3+][C@H]1COC[C@H]1Nc1c(Br)cc(F)cc1[N+](=O)[O-] ZINC001162921204 867919501 /nfs/dbraw/zinc/91/95/01/867919501.db2.gz OSLNHYNUMBNBNP-JGVFFNPUSA-N 1 0 320.118 1.634 20 5 DDBDRO COc1cccc(NCc2nnc3n2CCC[NH2+]C3)c1[N+](=O)[O-] ZINC001163017717 868006285 /nfs/dbraw/zinc/00/62/85/868006285.db2.gz SBLZWOUVUJXXED-UHFFFAOYSA-N 1 0 318.337 1.300 20 5 DDBDRO O=[N+]([O-])c1cc2c(ncnc2NC[C@]23C[NH2+]C[C@H]2COC3)s1 ZINC001163153521 868165353 /nfs/dbraw/zinc/16/53/53/868165353.db2.gz LKFVWMZHQNTPHP-SDBXPKJASA-N 1 0 321.362 1.247 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])cc(N[C@H]2CC[C@@H]3C[NH2+]C[C@@H]32)n1 ZINC001163261196 868273944 /nfs/dbraw/zinc/27/39/44/868273944.db2.gz JKRKJNTYJKEYBJ-MIMYLULJSA-N 1 0 306.322 1.186 20 5 DDBDRO COc1ncnc(NC2CCC(C[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC001163298808 868322024 /nfs/dbraw/zinc/32/20/24/868322024.db2.gz KABHMUNHDQAZGA-UHFFFAOYSA-N 1 0 309.370 1.926 20 5 DDBDRO CN1CCCC[C@@H]1C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC001335917065 868616452 /nfs/dbraw/zinc/61/64/52/868616452.db2.gz KIVLEYATHZOFPF-KGLIPLIRSA-N 1 0 323.393 1.408 20 5 DDBDRO CN(CC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)CC(F)F ZINC001335952267 868641988 /nfs/dbraw/zinc/64/19/88/868641988.db2.gz UQNABPFHRGLHKE-LBPRGKRZSA-N 1 0 303.309 1.415 20 5 DDBDRO CCOC(=O)c1cnc(-n2nc(C[NH3+])cc2C)c([N+](=O)[O-])c1 ZINC001163978005 868841384 /nfs/dbraw/zinc/84/13/84/868841384.db2.gz NNEUUGRYKFTILI-UHFFFAOYSA-N 1 0 305.294 1.119 20 5 DDBDRO Cc1cc(C[NH3+])nn1-c1cc([N+](=O)[O-])cc(Br)n1 ZINC001163985578 868847564 /nfs/dbraw/zinc/84/75/64/868847564.db2.gz WUPZKDZLEZPBEO-UHFFFAOYSA-N 1 0 312.127 1.705 20 5 DDBDRO C[C@@H]1CC[C@H](C[NH3+])CN1c1c([N+](=O)[O-])cc[n+]([O-])c1Cl ZINC001164468934 869215856 /nfs/dbraw/zinc/21/58/56/869215856.db2.gz UMILQFRRCKCTJZ-RKDXNWHRSA-N 1 0 300.746 1.445 20 5 DDBDRO O=C(NCCC1(C[NH2+]Cc2nccs2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001164490753 869229970 /nfs/dbraw/zinc/22/99/70/869229970.db2.gz UYZIQVCQGCOUJY-GHMZBOCLSA-N 1 0 324.406 1.184 20 5 DDBDRO COC(=O)c1cc(N2C[C@@H](C)[NH2+][C@@H](C)C2)cc(C)c1[N+](=O)[O-] ZINC001337725201 869608203 /nfs/dbraw/zinc/60/82/03/869608203.db2.gz NTHLCLNIZNMYPN-PHIMTYICSA-N 1 0 307.350 1.876 20 5 DDBDRO COC(=O)Cc1ccc(N[C@@H]2C[NH+]3CCC2CC3)c([N+](=O)[O-])c1 ZINC001338047627 869765369 /nfs/dbraw/zinc/76/53/69/869765369.db2.gz DSNASBYPKZYHGC-CQSZACIVSA-N 1 0 319.361 1.816 20 5 DDBDRO COc1ccc(C(=O)NC[C@@H]2CCCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC001338295402 869909940 /nfs/dbraw/zinc/90/99/40/869909940.db2.gz RQQJKVGVHCVURI-LBPRGKRZSA-N 1 0 307.350 1.818 20 5 DDBDRO C[C@H]1CCN(CC[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC001338493462 870012420 /nfs/dbraw/zinc/01/24/20/870012420.db2.gz ZTDOGKHZGBKAJG-ZDUSSCGKSA-N 1 0 320.393 1.855 20 5 DDBDRO COC[C@@H]1C[NH2+]CCN1C(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001338666441 870105510 /nfs/dbraw/zinc/10/55/10/870105510.db2.gz NVUIGYFUAOSODT-NEPJUHHUSA-N 1 0 322.365 1.286 20 5 DDBDRO CC[C@@H]1CN(C(=O)c2[nH]nc([N+](=O)[O-])c2Cl)C[C@H](C)[NH2+]1 ZINC001301432213 870991106 /nfs/dbraw/zinc/99/11/06/870991106.db2.gz VARAKCPLJKJKKX-NKWVEPMBSA-N 1 0 301.734 1.184 20 5 DDBDRO C[C@@H]1C[NH2+][C@@H](C)[C@H](C)N1C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC001341027332 871473048 /nfs/dbraw/zinc/47/30/48/871473048.db2.gz HTSJEZOJTFEXRF-AGIUHOORSA-N 1 0 320.393 1.628 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCCC[C@@]23CCCOC3)c1 ZINC001308171583 871477141 /nfs/dbraw/zinc/47/71/41/871477141.db2.gz VKCLWKIADIORFB-GJZGRUSLSA-N 1 0 324.381 1.187 20 5 DDBDRO COC[C@]1(C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)CC[NH2+]C1 ZINC001341110877 871507985 /nfs/dbraw/zinc/50/79/85/871507985.db2.gz ZORYIXBBUSLJQP-NHYWBVRUSA-N 1 0 307.350 1.398 20 5 DDBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N(C)CCOCC[NH3+] ZINC001341474636 871674335 /nfs/dbraw/zinc/67/43/35/871674335.db2.gz YTDUKMFYYRZKNQ-UHFFFAOYSA-N 1 0 313.379 1.364 20 5 DDBDRO [NH3+]C1CC2(C1)CC(NC(=O)CCc1cccc([N+](=O)[O-])c1)C2 ZINC001341885890 871878284 /nfs/dbraw/zinc/87/82/84/871878284.db2.gz OUMBOZQPRJRWFR-UHFFFAOYSA-N 1 0 303.362 1.914 20 5 DDBDRO COc1cccc(C(=O)N2CC[C@]3(C2)CCCC[NH2+]3)c1[N+](=O)[O-] ZINC001341981008 871930602 /nfs/dbraw/zinc/93/06/02/871930602.db2.gz HEBMWKRAVFKRDY-INIZCTEOSA-N 1 0 319.361 1.962 20 5 DDBDRO O=C(CNc1ccccc1[N+](=O)[O-])N1CCC2(C[NH2+]C2)CC1 ZINC001342173425 872049565 /nfs/dbraw/zinc/04/95/65/872049565.db2.gz MRGRJQSLBFMAIH-UHFFFAOYSA-N 1 0 304.350 1.219 20 5 DDBDRO O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC(OC2C[NH2+]C2)CC1 ZINC001342490277 872233641 /nfs/dbraw/zinc/23/36/41/872233641.db2.gz JCVFDNDUYWGKLT-UHFFFAOYSA-N 1 0 323.324 1.327 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[NH2+]CC1 ZINC001342861360 872414416 /nfs/dbraw/zinc/41/44/16/872414416.db2.gz ZLAFQTZLQPCTNW-LBPRGKRZSA-N 1 0 320.393 1.780 20 5 DDBDRO C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)c3n[nH]cc3[N+](=O)[O-])C[C@H]2C1 ZINC001345233546 873315453 /nfs/dbraw/zinc/31/54/53/873315453.db2.gz GYQSDVGYYZCEDF-HBNTYKKESA-N 1 0 307.354 1.120 20 5 DDBDRO CO[C@@H]1CC[N@H+](CCOc2cc(Cl)c([N+](=O)[O-])cn2)C1 ZINC001226915353 882717531 /nfs/dbraw/zinc/71/75/31/882717531.db2.gz GMVSEIOYAHEORU-SECBINFHSA-N 1 0 301.730 1.743 20 5 DDBDRO O=C(c1c(F)cccc1[N+](=O)[O-])N1CCC(OC2C[NH2+]C2)CC1 ZINC001345924212 873564247 /nfs/dbraw/zinc/56/42/47/873564247.db2.gz RJJCXMFOUHEMCK-UHFFFAOYSA-N 1 0 323.324 1.327 20 5 DDBDRO Cc1ccc(CNC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)cc1[N+](=O)[O-] ZINC001346527225 873790558 /nfs/dbraw/zinc/79/05/58/873790558.db2.gz ULTFFTAJBLKOQO-FRRDWIJNSA-N 1 0 304.350 1.595 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC[C@@](O)(C[NH+](C)C)C1 ZINC001347429357 874138618 /nfs/dbraw/zinc/13/86/18/874138618.db2.gz PHCFTNHKAMETEQ-MRXNPFEDSA-N 1 0 321.377 1.350 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CCC2CCOCC2)c1 ZINC001348956547 874893303 /nfs/dbraw/zinc/89/33/03/874893303.db2.gz AWATTYYVASMBKK-OAHLLOKOSA-N 1 0 324.377 1.741 20 5 DDBDRO Cc1cncc([N+](=O)[O-])c1NC(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC001216480420 876955979 /nfs/dbraw/zinc/95/59/79/876955979.db2.gz OOXXHZJHZFUMOH-PWSUYJOCSA-N 1 0 319.365 1.324 20 5 DDBDRO COc1ccc2ncc([N+](=O)[O-])c(NC[C@@H](C)[NH+](C)C)c2c1 ZINC001353227980 877203531 /nfs/dbraw/zinc/20/35/31/877203531.db2.gz LDEHHOGIQDOSCQ-SNVBAGLBSA-N 1 0 304.350 1.936 20 5 DDBDRO COc1c(O)ccc(CN2C[C@@H]3CC[N@H+](C)[C@@H]3C2)c1[N+](=O)[O-] ZINC001355320573 878498018 /nfs/dbraw/zinc/49/80/18/878498018.db2.gz CEALFXWNBPDUBD-CMPLNLGQSA-N 1 0 307.350 1.445 20 5 DDBDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])C1 ZINC001357443804 879974278 /nfs/dbraw/zinc/97/42/78/879974278.db2.gz DBPQWUSNYDZWOA-CMPLNLGQSA-N 1 0 309.341 1.862 20 5 DDBDRO CCOC(=O)c1cccc(COC(=O)C[C@@H](O)C[N+](C)(C)C)c1 ZINC001223282503 880903142 /nfs/dbraw/zinc/90/31/42/880903142.db2.gz ZUEIRXYFRQWSEP-OAHLLOKOSA-N 1 0 324.397 1.364 20 5 DDBDRO COCC[NH+]1CCC(Oc2cc(=O)[nH]c(C)c2[N+](=O)[O-])CC1 ZINC001228690151 883620432 /nfs/dbraw/zinc/62/04/32/883620432.db2.gz ZKOXRHYCLGDKOT-UHFFFAOYSA-N 1 0 311.338 1.493 20 5 DDBDRO COc1cc(OC(=O)C[C@@H](O)C[N+](C)(C)C)cc(C(C)=O)c1 ZINC001230055153 884302265 /nfs/dbraw/zinc/30/22/65/884302265.db2.gz IPMIXBIFQRWEIM-CYBMUJFWSA-N 1 0 310.370 1.260 20 5 DDBDRO NC(=O)N1CCN(Cc2ccc3ccc4cccnc4c3n2)CC1 ZINC001232222242 886169995 /nfs/dbraw/zinc/16/99/95/886169995.db2.gz QIOWFGJJVQFYCY-UHFFFAOYSA-N 1 0 321.384 1.979 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1c(F)cc(F)cc1Cl ZINC001233833404 887365558 /nfs/dbraw/zinc/36/55/58/887365558.db2.gz KZHGEGOREXRKKC-SECBINFHSA-N 1 0 308.732 1.981 20 5 DDBDRO COc1cc(C(C)=O)c(C)cc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001234958282 888276102 /nfs/dbraw/zinc/27/61/02/888276102.db2.gz CWFLBPKHPNZFKF-CYBMUJFWSA-N 1 0 324.397 1.569 20 5 DDBDRO CCOC(=O)C1=C(N[C@@H](C)Cc2ccccc2[N+](=O)[O-])C[NH2+]C1 ZINC001246348396 892557481 /nfs/dbraw/zinc/55/74/81/892557481.db2.gz GTLOESVXTZWPAZ-NSHDSACASA-N 1 0 319.361 1.536 20 5 DDBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@@]2(F)CCC[NH2+]C2)n1 ZINC001247880720 893456545 /nfs/dbraw/zinc/45/65/45/893456545.db2.gz VYYHGBUDYDLYGR-GFCCVEGCSA-N 1 0 311.248 1.727 20 5 DDBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@H]2[NH2+][C@@H]3CC[C@H]2C3)n1 ZINC001249211960 893872421 /nfs/dbraw/zinc/87/24/21/893872421.db2.gz BRPRGPZXLFSUEW-IONOHQLYSA-N 1 0 305.269 1.992 20 5 DDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)NCC1=CC[N@H+](C)CC1 ZINC001254177960 896284453 /nfs/dbraw/zinc/28/44/53/896284453.db2.gz QHOBRDYRBLMMAV-UHFFFAOYSA-N 1 0 304.350 1.628 20 5 DDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1(C(N)=O)CCOCC1 ZINC001254532345 896489080 /nfs/dbraw/zinc/48/90/80/896489080.db2.gz NEGRNBDHQFBPNY-LBPRGKRZSA-N 1 0 321.377 1.398 20 5 DDBDRO O=C1NCC[C@@]12CCC[N@@H+]([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254598325 896525491 /nfs/dbraw/zinc/52/54/91/896525491.db2.gz WHRJMOOUTXTYJI-NVXWUHKLSA-N 1 0 315.373 1.664 20 5 DDBDRO CC[C@@]1(c2nc(-c3ccc(N)c([N+](=O)[O-])c3)no2)CC[NH2+]C1 ZINC001261484028 899600906 /nfs/dbraw/zinc/60/09/06/899600906.db2.gz MOZMYOGJTYBVBV-CQSZACIVSA-N 1 0 303.322 1.868 20 5 DDBDRO CC[N@@H+]1C[C@H](C)N(c2nnc(C[N+](=O)[O-])n2CC2CC2)C[C@@H]1C ZINC001263676063 900668109 /nfs/dbraw/zinc/66/81/09/900668109.db2.gz FYMXXAPGPJEQQC-RYUDHWBXSA-N 1 0 322.413 1.384 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CC[C@@H]2C[N@@H+](C)C[C@@H]12 ZINC001263980015 900853623 /nfs/dbraw/zinc/85/36/23/900853623.db2.gz LEJBWASZLQXSAR-KCPJHIHWSA-N 1 0 303.362 1.973 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC001265581123 902155973 /nfs/dbraw/zinc/15/59/73/902155973.db2.gz QPVKZRBTWBKZJE-CYBMUJFWSA-N 1 0 320.393 1.928 20 5 DDBDRO C[N@@H+]1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)C[C@@H]1C(C)(C)C ZINC001307195212 915850069 /nfs/dbraw/zinc/85/00/69/915850069.db2.gz BMSLHZSNVFMCMH-GFCCVEGCSA-N 1 0 321.381 1.255 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)n1 ZINC000248676004 282098920 /nfs/dbraw/zinc/09/89/20/282098920.db2.gz TWCQAYSQYPHLMQ-WDEREUQCSA-N 1 0 309.370 1.366 20 5 DDBDRO C[NH+]1CCN(CCNc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000278528976 214215467 /nfs/dbraw/zinc/21/54/67/214215467.db2.gz TZFYXUSHNFQDFM-UHFFFAOYSA-N 1 0 304.354 1.130 20 5 DDBDRO COC[C@@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)[C@@H]1CCCO1 ZINC000278683197 214323827 /nfs/dbraw/zinc/32/38/27/214323827.db2.gz PGKWJLKQKLIDAP-OCCSQVGLSA-N 1 0 310.350 1.887 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000452072219 231290624 /nfs/dbraw/zinc/29/06/24/231290624.db2.gz WIVAFEZXICPFTG-BXUZGUMPSA-N 1 0 321.377 1.935 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CC[C@@H](CCCO)C1 ZINC000452126069 231313183 /nfs/dbraw/zinc/31/31/83/231313183.db2.gz TZIQTMRWBLGYAA-ZIAGYGMSSA-N 1 0 324.377 1.429 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2C[C@H](C3CC3)[C@@H]2C2CC2)c1 ZINC000453046874 231456626 /nfs/dbraw/zinc/45/66/26/231456626.db2.gz YRHOZWOCLGIWTF-KFWWJZLASA-N 1 0 306.366 1.273 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[N@H+](CCO)C(C)(C)C1 ZINC000614923254 362080633 /nfs/dbraw/zinc/08/06/33/362080633.db2.gz AJLSKJQTXCLBCY-UHFFFAOYSA-N 1 0 323.393 1.492 20 5 DDBDRO CC[N@H+](C)C[C@H]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090551753 185302652 /nfs/dbraw/zinc/30/26/52/185302652.db2.gz NJHWJFBSJJFHIV-CYBMUJFWSA-N 1 0 308.382 1.030 20 5 DDBDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)c3ccc([N+](=O)[O-])cc3F)C2)C1 ZINC000292352948 529801469 /nfs/dbraw/zinc/80/14/69/529801469.db2.gz VOFNPVNQVFLDJQ-OAHLLOKOSA-N 1 0 307.325 1.902 20 5 DDBDRO CC[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C[C@@H]1CCCO1 ZINC000181644473 199332133 /nfs/dbraw/zinc/33/21/33/199332133.db2.gz MKFVNZSTJWOKKL-KBPBESRZSA-N 1 0 324.377 1.835 20 5 DDBDRO COc1cc(C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000272655475 282318066 /nfs/dbraw/zinc/31/80/66/282318066.db2.gz QOENHQLPGOEZRN-SMDDNHRTSA-N 1 0 319.361 1.770 20 5 DDBDRO CC(C)(CO)[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CC1 ZINC000293000290 282360730 /nfs/dbraw/zinc/36/07/30/282360730.db2.gz IYQQWCVHHOXAFF-CQSZACIVSA-N 1 0 321.377 1.580 20 5 DDBDRO COC(=O)c1cc(C)nc(N(C)CC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000342082712 282536777 /nfs/dbraw/zinc/53/67/77/282536777.db2.gz YESYJBZHDVTAEU-UHFFFAOYSA-N 1 0 322.365 1.617 20 5 DDBDRO C[NH+](C)[C@@H]1CCCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC1 ZINC000331403019 233327067 /nfs/dbraw/zinc/32/70/67/233327067.db2.gz DMOFICIURZMJBU-GFCCVEGCSA-N 1 0 323.397 1.469 20 5 DDBDRO CON1CCC([N@H+](C)CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000459575609 233327136 /nfs/dbraw/zinc/32/71/36/233327136.db2.gz GIJFPXYXFXLOID-UHFFFAOYSA-N 1 0 322.365 1.491 20 5 DDBDRO O=C([C@H]1CCC[NH2+]C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000194283198 186276809 /nfs/dbraw/zinc/27/68/09/186276809.db2.gz JIHCDRVTKRIZOQ-ZDUSSCGKSA-N 1 0 318.377 1.243 20 5 DDBDRO Cc1cnccc1C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000564874069 304022104 /nfs/dbraw/zinc/02/21/04/304022104.db2.gz YCOPYWZNBSSLHG-AWEZNQCLSA-N 1 0 317.345 1.828 20 5 DDBDRO O=C(Cn1ccc([N+](=O)[O-])n1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000172423045 198094945 /nfs/dbraw/zinc/09/49/45/198094945.db2.gz LTBUHBBRWORPFL-UHFFFAOYSA-N 1 0 321.381 1.268 20 5 DDBDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000027745085 352222829 /nfs/dbraw/zinc/22/28/29/352222829.db2.gz NZGOZISYVXKMRG-ZDUSSCGKSA-N 1 0 321.377 1.964 20 5 DDBDRO COC(=O)c1cc(C(=O)NCC[NH+]2CCCC2)cc([N+](=O)[O-])c1 ZINC000072634323 191206680 /nfs/dbraw/zinc/20/66/80/191206680.db2.gz UWQHLJWOONNALM-UHFFFAOYSA-N 1 0 321.333 1.207 20 5 DDBDRO C[NH+](C)[C@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]1)Cc1ccccc1 ZINC000054462383 352693281 /nfs/dbraw/zinc/69/32/81/352693281.db2.gz IKVJLPVINPUSDB-ZDUSSCGKSA-N 1 0 316.361 1.826 20 5 DDBDRO CC[N@H+](C)C[C@@H]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000072858393 191239875 /nfs/dbraw/zinc/23/98/75/191239875.db2.gz BTYNGUTYUDSHKK-LBPRGKRZSA-N 1 0 320.393 1.467 20 5 DDBDRO CC1CC[NH+](CCNC(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000173097933 198184616 /nfs/dbraw/zinc/18/46/16/198184616.db2.gz HQEPPUIWFPJDQS-UHFFFAOYSA-N 1 0 305.378 1.985 20 5 DDBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000069470742 353162214 /nfs/dbraw/zinc/16/22/14/353162214.db2.gz SIHCLXMCGFJCCX-LBPRGKRZSA-N 1 0 309.370 1.030 20 5 DDBDRO C[NH+](C)[C@H](CNc1ncc([N+](=O)[O-])c(N)n1)Cc1ccccc1 ZINC000076460889 353421983 /nfs/dbraw/zinc/42/19/83/353421983.db2.gz NULPPDFHKTYSRL-LBPRGKRZSA-N 1 0 316.365 1.552 20 5 DDBDRO Nc1ccc(C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000076694570 353433630 /nfs/dbraw/zinc/43/36/30/353433630.db2.gz UQAVYSGECGZBKN-CYBMUJFWSA-N 1 0 318.377 1.877 20 5 DDBDRO C[NH+](C)CCCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000078616801 353524995 /nfs/dbraw/zinc/52/49/95/353524995.db2.gz BRPUPTSIXWMGGN-UHFFFAOYSA-N 1 0 309.322 1.048 20 5 DDBDRO CNC(=O)c1ccc(N2CC[N@H+](C)C[C@H]2C(C)C)c([N+](=O)[O-])c1 ZINC000078022587 353501657 /nfs/dbraw/zinc/50/16/57/353501657.db2.gz VYRSHBMMNOOMBW-HNNXBMFYSA-N 1 0 320.393 1.731 20 5 DDBDRO COCc1cc([N+](=O)[O-])ccc1N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000080617559 353618743 /nfs/dbraw/zinc/61/87/43/353618743.db2.gz MYEWIOCWPGOCNU-ZDUSSCGKSA-N 1 0 322.409 1.789 20 5 DDBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@]1(O)CCOC1 ZINC000090848277 353799397 /nfs/dbraw/zinc/79/93/97/353799397.db2.gz NJVCJXXXALWASL-NHYWBVRUSA-N 1 0 323.349 1.053 20 5 DDBDRO CCc1nn(C)c(N2CC[NH+](C[C@@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000091733957 353835319 /nfs/dbraw/zinc/83/53/19/353835319.db2.gz ABZBUZUEWNHQDL-LBPRGKRZSA-N 1 0 323.397 1.049 20 5 DDBDRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000108307433 353950836 /nfs/dbraw/zinc/95/08/36/353950836.db2.gz SMJUTGSIRMKRPW-NSHDSACASA-N 1 0 307.325 1.948 20 5 DDBDRO CN(CCC[NH3+])S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000133769567 354110474 /nfs/dbraw/zinc/11/04/74/354110474.db2.gz RLEIUYOWSBDUGD-UHFFFAOYSA-N 1 0 307.759 1.218 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[N@@H+](C3CC3)CC2)c1 ZINC000148859008 354171516 /nfs/dbraw/zinc/17/15/16/354171516.db2.gz HWBQAOUJJFYUJY-UHFFFAOYSA-N 1 0 319.361 1.914 20 5 DDBDRO O=C(COc1cccc([N+](=O)[O-])c1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000141679207 354141411 /nfs/dbraw/zinc/14/14/11/354141411.db2.gz YBRPSIIKYXPGRQ-AWEZNQCLSA-N 1 0 319.361 1.670 20 5 DDBDRO O=[N+]([O-])c1cccc(OCC[NH+]2CCC(OCCCO)CC2)c1 ZINC000154914382 354209595 /nfs/dbraw/zinc/20/95/95/354209595.db2.gz SCPLTNBHZQBDPG-UHFFFAOYSA-N 1 0 324.377 1.837 20 5 DDBDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])nn2C)C[C@@H](C)C1 ZINC000346178544 283014240 /nfs/dbraw/zinc/01/42/40/283014240.db2.gz LLZLRWIMXJCWIV-TUAOUCFPSA-N 1 0 321.381 1.131 20 5 DDBDRO CO[C@@H]1CCN(C(=O)c2cc(C)ccc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000316950479 354507143 /nfs/dbraw/zinc/50/71/43/354507143.db2.gz CLJFZAZDXPWAHO-NWDGAFQWSA-N 1 0 307.350 1.482 20 5 DDBDRO CNc1c(C(=O)N2CC[C@@H]([NH+](C)C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000319205899 354519978 /nfs/dbraw/zinc/51/99/78/354519978.db2.gz FOLLBEZDXTXJDJ-ZYHUDNBSSA-N 1 0 306.366 1.801 20 5 DDBDRO COc1ccc(C(=O)N[C@H](C[NH3+])C(F)(F)F)cc1[N+](=O)[O-] ZINC000401739995 354666332 /nfs/dbraw/zinc/66/63/32/354666332.db2.gz FXZMNSHQNBMLJG-SECBINFHSA-N 1 0 307.228 1.223 20 5 DDBDRO COC(=O)c1cc(C)nc(N2CCC[C@@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000585706675 354831012 /nfs/dbraw/zinc/83/10/12/354831012.db2.gz BHPQHXXRVHRPDA-LLVKDONJSA-N 1 0 322.365 1.615 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@]1(C)CCO[C@H]1C ZINC000494226099 235008596 /nfs/dbraw/zinc/00/85/96/235008596.db2.gz FOVWWFZEIGOMDJ-NHYWBVRUSA-N 1 0 307.350 1.999 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](CO)C[NH+]1CCCC1 ZINC000588868904 354945350 /nfs/dbraw/zinc/94/53/50/354945350.db2.gz IDFQQFKRXPDUNM-GFCCVEGCSA-N 1 0 307.350 1.090 20 5 DDBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C1COCCOC1 ZINC000589949703 355034563 /nfs/dbraw/zinc/03/45/63/355034563.db2.gz IUKYDKIXYKERFU-NSHDSACASA-N 1 0 323.349 1.317 20 5 DDBDRO COc1ccc(OCCN2CC[C@H]3C[N@H+](C)C[C@@H]32)c([N+](=O)[O-])c1 ZINC000590010311 355038863 /nfs/dbraw/zinc/03/88/63/355038863.db2.gz AUZNHXZRCRARHM-WFASDCNBSA-N 1 0 321.377 1.618 20 5 DDBDRO Cc1c(Br)c(=O)n(C[C@@H](C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000358843498 291052396 /nfs/dbraw/zinc/05/23/96/291052396.db2.gz UPPCFDXOKUGGBQ-SSDOTTSWSA-N 1 0 318.171 1.778 20 5 DDBDRO CC[C@H]1C[N@H+](C)CCCN1C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000590345173 355074935 /nfs/dbraw/zinc/07/49/35/355074935.db2.gz UUZAHLAHPMUAJM-NSHDSACASA-N 1 0 308.338 1.252 20 5 DDBDRO COc1c(C(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)cccc1[N+](=O)[O-] ZINC000590447661 355099831 /nfs/dbraw/zinc/09/98/31/355099831.db2.gz ZRENJKZSRAHWEG-MFKMUULPSA-N 1 0 305.334 1.380 20 5 DDBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000590663625 355139630 /nfs/dbraw/zinc/13/96/30/355139630.db2.gz RHABDHJNXVOPJI-SKDRFNHKSA-N 1 0 301.302 1.775 20 5 DDBDRO C[C@@H]1CC(=O)NCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000591022124 355234486 /nfs/dbraw/zinc/23/44/86/355234486.db2.gz UFZIZBPALZJYAS-LLVKDONJSA-N 1 0 320.349 1.134 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000591299525 355283572 /nfs/dbraw/zinc/28/35/72/355283572.db2.gz PJNZRAQAVZTCCH-JTQLQIEISA-N 1 0 308.338 1.806 20 5 DDBDRO Cc1n[nH]cc1C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000591724892 355371661 /nfs/dbraw/zinc/37/16/61/355371661.db2.gz NBOHNOWXXMVVOB-ZDUSSCGKSA-N 1 0 306.322 1.156 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H]2C[C@H]3OCCC[C@@H]23)c1 ZINC000591762921 355379352 /nfs/dbraw/zinc/37/93/52/355379352.db2.gz HBLXCEBMNDCVRO-SLBVQIDZSA-N 1 0 322.361 1.492 20 5 DDBDRO CN(CCC[NH3+])C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000591679760 355360835 /nfs/dbraw/zinc/36/08/35/355360835.db2.gz WZZFTYAODOLIRM-UHFFFAOYSA-N 1 0 303.322 1.201 20 5 DDBDRO Cc1nn(CCC(=O)Nc2cccc(C[NH3+])c2)c(C)c1[N+](=O)[O-] ZINC000592284985 355552199 /nfs/dbraw/zinc/55/21/99/355552199.db2.gz NDFNKKQSPXREMC-UHFFFAOYSA-N 1 0 317.349 1.896 20 5 DDBDRO COc1cc(C(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)cc([N+](=O)[O-])c1C ZINC000592310141 355556940 /nfs/dbraw/zinc/55/69/40/355556940.db2.gz WHUQIZKZFHGGEZ-HZMBPMFUSA-N 1 0 323.349 1.100 20 5 DDBDRO CC(C)(C[NH2+]Cc1csc([N+](=O)[O-])c1)[C@]1(O)CCOC1 ZINC000592375031 355569169 /nfs/dbraw/zinc/56/91/69/355569169.db2.gz PDXQICSCNNSOKD-ZDUSSCGKSA-N 1 0 300.380 1.924 20 5 DDBDRO C[C@H](CC[NH3+])NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000592540723 355622770 /nfs/dbraw/zinc/62/27/70/355622770.db2.gz JLRLRXOMXRNVCP-GFCCVEGCSA-N 1 0 320.393 1.665 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CCC(F)(F)F)c1 ZINC000579344039 422749376 /nfs/dbraw/zinc/74/93/76/422749376.db2.gz RGWHSSBQWMVERA-JTQLQIEISA-N 1 0 308.256 1.877 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@]2(C)CO)c1 ZINC000593025315 355773612 /nfs/dbraw/zinc/77/36/12/355773612.db2.gz WRAKZXIPRSSUIV-OAHLLOKOSA-N 1 0 308.334 1.728 20 5 DDBDRO CC(C)C[N@H+](C)CCCNC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000593175544 355817158 /nfs/dbraw/zinc/81/71/58/355817158.db2.gz SUBYDGWBPUUUJG-UHFFFAOYSA-N 1 0 309.370 1.511 20 5 DDBDRO C[C@@H]1[C@@H](C)[N@@H+](C)C[C@H](C)N1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000593187546 355820118 /nfs/dbraw/zinc/82/01/18/355820118.db2.gz LQYORTDHMSBWMH-YNEHKIRRSA-N 1 0 321.377 1.913 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CC([N@@H+]3CC[C@@H](O)C3)C2)c2ccncc21 ZINC000593508652 355908268 /nfs/dbraw/zinc/90/82/68/355908268.db2.gz UMFGZMQMLYOMDR-GFCCVEGCSA-N 1 0 314.345 1.398 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)nccc2N1CCC[N@@H+](CCO)CC1 ZINC000593460942 355892513 /nfs/dbraw/zinc/89/25/13/355892513.db2.gz LJIOFROWEULRSK-UHFFFAOYSA-N 1 0 316.361 1.647 20 5 DDBDRO O=c1[nH]ccc2c1C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)CC2 ZINC000276961387 213204321 /nfs/dbraw/zinc/20/43/21/213204321.db2.gz PZAIOZWXQXMZAQ-HNNXBMFYSA-N 1 0 315.329 1.787 20 5 DDBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](CO)CCF ZINC000593688609 355967859 /nfs/dbraw/zinc/96/78/59/355967859.db2.gz XHEHMHBZZILLLJ-CMPLNLGQSA-N 1 0 313.329 1.622 20 5 DDBDRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000593918477 356060850 /nfs/dbraw/zinc/06/08/50/356060850.db2.gz DWXWWRUMZQNCTR-RTXFEEFZSA-N 1 0 322.365 1.424 20 5 DDBDRO CC(C)Oc1nc(N2CC[C@H]3CC[NH2+][C@H]3C2)ccc1[N+](=O)[O-] ZINC000593931364 356066540 /nfs/dbraw/zinc/06/65/40/356066540.db2.gz KGCXBVXMWLSBAJ-NEPJUHHUSA-N 1 0 306.366 1.965 20 5 DDBDRO O=C(CCn1cc([N+](=O)[O-])cn1)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594198113 356137476 /nfs/dbraw/zinc/13/74/76/356137476.db2.gz CXFPOGWXZNSHNF-ZIAGYGMSSA-N 1 0 321.381 1.315 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594200383 356138205 /nfs/dbraw/zinc/13/82/05/356138205.db2.gz LRQWSSHZPJDCFR-CHWSQXEVSA-N 1 0 306.366 1.680 20 5 DDBDRO O=C(NCCNc1ccccc1[N+](=O)[O-])[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000594426874 356208395 /nfs/dbraw/zinc/20/83/95/356208395.db2.gz STNOMQYJZKIDGO-BLLLJJGKSA-N 1 0 318.377 1.513 20 5 DDBDRO C[C@@H]([NH2+][C@@H]1CCc2c(nnn2C)C1)c1cccc([N+](=O)[O-])c1 ZINC000594522377 356241747 /nfs/dbraw/zinc/24/17/47/356241747.db2.gz QNQZKFBIAZAKRJ-ZYHUDNBSSA-N 1 0 301.350 1.931 20 5 DDBDRO CCC[NH+]1CCC(CNC(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000184105100 199673952 /nfs/dbraw/zinc/67/39/52/199673952.db2.gz OVKKOMHXIUKEFF-UHFFFAOYSA-N 1 0 321.381 1.424 20 5 DDBDRO COc1ccc(C[NH2+]C[C@@H](OC)[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000594950082 356362864 /nfs/dbraw/zinc/36/28/64/356362864.db2.gz HNVJAZSGZVRAMZ-SWLSCSKDSA-N 1 0 310.350 1.745 20 5 DDBDRO O=C(CN1CCC[C@@H]2C[NH2+]CC[C@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000601335154 358503861 /nfs/dbraw/zinc/50/38/61/358503861.db2.gz QUBYAVDPDLNQLI-TZMCWYRMSA-N 1 0 318.377 1.607 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCCN1CCOCC1 ZINC000595006066 356371601 /nfs/dbraw/zinc/37/16/01/356371601.db2.gz GWKVTHYKSVLSPC-ZDUSSCGKSA-N 1 0 323.393 1.976 20 5 DDBDRO Cc1noc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CNC(=O)C2)c1[N+](=O)[O-] ZINC000595406332 356481889 /nfs/dbraw/zinc/48/18/89/356481889.db2.gz BXHCMZIXAODAHS-WDEREUQCSA-N 1 0 308.338 1.382 20 5 DDBDRO CN(C)S(=O)(=O)CC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000565215249 304054366 /nfs/dbraw/zinc/05/43/66/304054366.db2.gz AELGYJDBKOGELK-GFCCVEGCSA-N 1 0 313.379 1.063 20 5 DDBDRO O=C(CC[NH2+][C@@H](CO)C1CCC1)Nc1ccccc1[N+](=O)[O-] ZINC000595618396 356580105 /nfs/dbraw/zinc/58/01/05/356580105.db2.gz XWQJDYQSKMKTTL-ZDUSSCGKSA-N 1 0 307.350 1.674 20 5 DDBDRO COC(=O)[C@@H]1OCC[C@@H]1[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000595665430 356600596 /nfs/dbraw/zinc/60/05/96/356600596.db2.gz ZZMHNUCTWPLGJK-DDTOSNHZSA-N 1 0 308.334 1.884 20 5 DDBDRO C[C@H]([NH2+][C@@H]1C[C@@H](O)C12CCC2)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000595779404 356649778 /nfs/dbraw/zinc/64/97/78/356649778.db2.gz DTFWRSANANFNLM-ZLKJLUDKSA-N 1 0 319.361 1.815 20 5 DDBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000595920552 356704849 /nfs/dbraw/zinc/70/48/49/356704849.db2.gz USQVZLMSRSLHRM-LLVKDONJSA-N 1 0 315.333 1.325 20 5 DDBDRO O=C(NCc1cccc([N+](=O)[O-])c1)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000595924263 356706624 /nfs/dbraw/zinc/70/66/24/356706624.db2.gz JRPWNNZKUWZDIV-LLVKDONJSA-N 1 0 315.333 1.325 20 5 DDBDRO Cc1c(C[NH3+])c(NC(=O)COc2cccc([N+](=O)[O-])c2)nn1C ZINC000595959127 356723883 /nfs/dbraw/zinc/72/38/83/356723883.db2.gz BHQKWKLQYSZDRI-UHFFFAOYSA-N 1 0 319.321 1.113 20 5 DDBDRO CCc1ccc(C(=O)NCCCN2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000237138967 202164746 /nfs/dbraw/zinc/16/47/46/202164746.db2.gz AYIWWKUOPDIAFP-UHFFFAOYSA-N 1 0 320.393 1.182 20 5 DDBDRO C[NH2+]C[C@@H](C)NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000595981243 356734864 /nfs/dbraw/zinc/73/48/64/356734864.db2.gz BYKUMELABZMDML-SNVBAGLBSA-N 1 0 303.322 1.118 20 5 DDBDRO COc1cccc(C(=O)N2CC[C@H]([NH+](C)C)[C@@H]2C)c1[N+](=O)[O-] ZINC000597696100 357289040 /nfs/dbraw/zinc/28/90/40/357289040.db2.gz BKTOYEYSUOOUGS-JQWIXIFHSA-N 1 0 307.350 1.768 20 5 DDBDRO C[NH+](C)CC1CN(C(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000597708507 357295686 /nfs/dbraw/zinc/29/56/86/357295686.db2.gz NLZUZCFNWKEOTQ-UHFFFAOYSA-N 1 0 306.366 1.417 20 5 DDBDRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1ccc([N+](=O)[O-])cc1[O-])C2 ZINC000597710493 357297377 /nfs/dbraw/zinc/29/73/77/357297377.db2.gz NPIOUIKGTAWQHW-MRXNPFEDSA-N 1 0 319.361 1.858 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000597713681 357297886 /nfs/dbraw/zinc/29/78/86/357297886.db2.gz FOKQDVSBFNBCEX-INIZCTEOSA-N 1 0 318.377 1.856 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000597856850 357359875 /nfs/dbraw/zinc/35/98/75/357359875.db2.gz BGSWDXBDZTZFEG-NSHDSACASA-N 1 0 306.366 1.901 20 5 DDBDRO CCN(C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)[C@@H]1CC[N@H+](C)C1 ZINC000597947459 357395642 /nfs/dbraw/zinc/39/56/42/357395642.db2.gz YTZKHVSLENYDBE-LLVKDONJSA-N 1 0 317.349 1.637 20 5 DDBDRO C[C@@H](CNC(=O)Cn1ccc([N+](=O)[O-])n1)[NH+]1CCC(C)CC1 ZINC000067270109 295946694 /nfs/dbraw/zinc/94/66/94/295946694.db2.gz SYQGREKPCYAPHJ-LBPRGKRZSA-N 1 0 309.370 1.028 20 5 DDBDRO CN(CC(=O)N1C[C@H]2CCC[C@]2([NH3+])C1)c1ccccc1[N+](=O)[O-] ZINC000598670684 357679224 /nfs/dbraw/zinc/67/92/24/357679224.db2.gz WWBDDFHSIJNKAN-WBMJQRKESA-N 1 0 318.377 1.371 20 5 DDBDRO CC(C)[C@@H]1CN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC[NH2+]1 ZINC000598574126 357636693 /nfs/dbraw/zinc/63/66/93/357636693.db2.gz KHYLKFSZTXCVJK-NSHDSACASA-N 1 0 321.333 1.394 20 5 DDBDRO Cc1ccc(S(=O)(=O)NC[C@H]([NH3+])C(C)C)c(C)c1[N+](=O)[O-] ZINC000598716205 357701620 /nfs/dbraw/zinc/70/16/20/357701620.db2.gz AEDUTOVLBDGXHN-NSHDSACASA-N 1 0 315.395 1.473 20 5 DDBDRO Cc1ccc(S(=O)(=O)NC[C@H]([NH3+])C2CC2)c(C)c1[N+](=O)[O-] ZINC000598716118 357701895 /nfs/dbraw/zinc/70/18/95/357701895.db2.gz XPYSIRLCADKESM-NSHDSACASA-N 1 0 313.379 1.227 20 5 DDBDRO C[C@@H](NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]C1 ZINC000598916330 357758015 /nfs/dbraw/zinc/75/80/15/357758015.db2.gz YBGMXLWKRWCNLC-GHMZBOCLSA-N 1 0 320.349 1.038 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H]1COCCN1C ZINC000599081672 357808891 /nfs/dbraw/zinc/80/88/91/357808891.db2.gz UFEMJGUYRREWOU-AAEUAGOBSA-N 1 0 309.366 1.585 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(N2CC(C[NH+]3CCN(C)CC3)C2)c1 ZINC000599109605 357818362 /nfs/dbraw/zinc/81/83/62/357818362.db2.gz VGBUOGFVUHQCSG-UHFFFAOYSA-N 1 0 304.394 1.587 20 5 DDBDRO COC(=O)CCCC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000599325623 357895122 /nfs/dbraw/zinc/89/51/22/357895122.db2.gz HXQXQTYZYXMGSU-LBPRGKRZSA-N 1 0 322.365 1.819 20 5 DDBDRO COC(=O)[C@]1(OC)CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000599564201 357974562 /nfs/dbraw/zinc/97/45/62/357974562.db2.gz QKSDMZUNEGBPCA-HNNXBMFYSA-N 1 0 324.333 1.238 20 5 DDBDRO COc1ccc(CNC(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)cc1[N+](=O)[O-] ZINC000599909320 358079015 /nfs/dbraw/zinc/07/90/15/358079015.db2.gz XWVDAVNCBSJMGQ-ZYHUDNBSSA-N 1 0 322.365 1.543 20 5 DDBDRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)C[C@H]21 ZINC000599988962 358096947 /nfs/dbraw/zinc/09/69/47/358096947.db2.gz PNUMGGOVZMDQEA-NHAGDIPZSA-N 1 0 314.345 1.708 20 5 DDBDRO CSc1cccc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)c1[N+](=O)[O-] ZINC000599991071 358097849 /nfs/dbraw/zinc/09/78/49/358097849.db2.gz ABJVFWFNRXXUGX-PJXYFTJBSA-N 1 0 321.402 1.949 20 5 DDBDRO COCC[NH2+]CCNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000237281597 202216051 /nfs/dbraw/zinc/21/60/51/202216051.db2.gz PZWZPQKXQJTSSE-UHFFFAOYSA-N 1 0 313.379 1.039 20 5 DDBDRO COc1ccc(C(=O)N2CCCC[C@H]2[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000237350955 202241398 /nfs/dbraw/zinc/24/13/98/202241398.db2.gz DRGHLVLRXMMYDH-JQWIXIFHSA-N 1 0 307.350 1.945 20 5 DDBDRO CCN(CC[NH3+])CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000600717451 358293299 /nfs/dbraw/zinc/29/32/99/358293299.db2.gz ALFJEIOPTYMHKC-UHFFFAOYSA-N 1 0 308.338 1.173 20 5 DDBDRO C[N@H+](CC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CCC1 ZINC000600826521 358327640 /nfs/dbraw/zinc/32/76/40/358327640.db2.gz OUYJJUCTAKGSDN-UHFFFAOYSA-N 1 0 317.349 1.572 20 5 DDBDRO O=[N+]([O-])c1ccc2nccc(NCC[N@H+]3CC[C@@H](O)C3)c2c1 ZINC000601203803 358446526 /nfs/dbraw/zinc/44/65/26/358446526.db2.gz VNQLBDYOQDZOTL-GFCCVEGCSA-N 1 0 302.334 1.043 20 5 DDBDRO COC(=O)COc1ccc(C[NH2+]CC(C)(C)F)cc1[N+](=O)[O-] ZINC000601136280 358416961 /nfs/dbraw/zinc/41/69/61/358416961.db2.gz BUUOKCTVGAAUNM-UHFFFAOYSA-N 1 0 314.313 1.984 20 5 DDBDRO CC[NH+]1CCN(CCNC(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000601164417 358429034 /nfs/dbraw/zinc/42/90/34/358429034.db2.gz UCHYDPWMKDQXKT-UHFFFAOYSA-N 1 0 324.356 1.101 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000601976982 358762894 /nfs/dbraw/zinc/76/28/94/358762894.db2.gz SFGASOUVWDKXHN-IYBDPMFKSA-N 1 0 303.362 1.975 20 5 DDBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3c(N)cccc3[N+](=O)[O-])CC[C@@H]21 ZINC000181215066 199265930 /nfs/dbraw/zinc/26/59/30/199265930.db2.gz TYMIEASKASKGFI-YPMHNXCESA-N 1 0 318.377 1.733 20 5 DDBDRO C[N@@H+]1CC[C@H](CC(=O)NCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000602043314 358789105 /nfs/dbraw/zinc/78/91/05/358789105.db2.gz CUJZMUSWSFVUNI-GFCCVEGCSA-N 1 0 306.366 1.465 20 5 DDBDRO CO[C@@H]1C[NH2+][C@@](C)(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000602442786 358978824 /nfs/dbraw/zinc/97/88/24/358978824.db2.gz NHAXELLGLQSSOP-VZJVUDMVSA-N 1 0 307.350 1.539 20 5 DDBDRO Cn1cc(CN2CCC(C[NH+]3CCCC3)CC2)c([N+](=O)[O-])n1 ZINC000602437943 358975530 /nfs/dbraw/zinc/97/55/30/358975530.db2.gz AQOHAIAPIXTEAC-UHFFFAOYSA-N 1 0 307.398 1.636 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C3CCOCC3)CC2)cn1 ZINC000602517891 359023601 /nfs/dbraw/zinc/02/36/01/359023601.db2.gz KLGWSUDNUMVZHW-UHFFFAOYSA-N 1 0 306.366 1.727 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000602530279 359029436 /nfs/dbraw/zinc/02/94/36/359029436.db2.gz YNRDSHXQYVRJHM-ZDUSSCGKSA-N 1 0 305.334 1.618 20 5 DDBDRO [NH3+][C@@H]1CN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CC[C@H]1F ZINC000602537114 359033695 /nfs/dbraw/zinc/03/36/95/359033695.db2.gz ZGIMJJZSHQBVFG-ZIAGYGMSSA-N 1 0 321.352 1.914 20 5 DDBDRO C[C@@H]1CC[C@H](NC(=O)CCNc2ccccc2[N+](=O)[O-])C[NH2+]1 ZINC000602557359 359044240 /nfs/dbraw/zinc/04/42/40/359044240.db2.gz ZQMUVPYPDMUBDZ-NEPJUHHUSA-N 1 0 306.366 1.654 20 5 DDBDRO C[C@@H](CCCO)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602675647 359119953 /nfs/dbraw/zinc/11/99/53/359119953.db2.gz VIQLNBPSDDRKRT-ZDUSSCGKSA-N 1 0 322.409 1.957 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000618396335 363621242 /nfs/dbraw/zinc/62/12/42/363621242.db2.gz PUSXMKLNGODXFB-UHFFFAOYSA-N 1 0 318.377 1.902 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)[C@H]1CCCc2c1cnn2C ZINC000602802070 359201561 /nfs/dbraw/zinc/20/15/61/359201561.db2.gz SPTKQVVSPTUVFO-ZDUSSCGKSA-N 1 0 318.381 1.843 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](CO)c1ccc(F)cc1 ZINC000602804826 359202896 /nfs/dbraw/zinc/20/28/96/359202896.db2.gz GSHPAJVKUWNPRS-ZDUSSCGKSA-N 1 0 308.313 1.562 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CCN1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000602830516 359222399 /nfs/dbraw/zinc/22/23/99/359222399.db2.gz LXPKMLKGWOINCS-TZMCWYRMSA-N 1 0 307.398 1.658 20 5 DDBDRO CCOc1cc(C[N@@H+]2C[C@H](OC)C[C@@]2(C)CO)ccc1[N+](=O)[O-] ZINC000602964944 359329369 /nfs/dbraw/zinc/32/93/69/359329369.db2.gz WNRYUACUJOVMMJ-CJNGLKHVSA-N 1 0 324.377 1.965 20 5 DDBDRO C[C@H]([NH2+][C@H](CC(N)=O)C1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000348279101 283447865 /nfs/dbraw/zinc/44/78/65/283447865.db2.gz OJMNHGMZKROUJL-SMDDNHRTSA-N 1 0 321.377 1.916 20 5 DDBDRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000186766371 200006139 /nfs/dbraw/zinc/00/61/39/200006139.db2.gz HFBXFUUYFWPKBJ-PELKAZGASA-N 1 0 303.322 1.199 20 5 DDBDRO C[C@@H]1COCC[N@@H+]1C1CCN(c2ncc([N+](=O)[O-])cn2)CC1 ZINC000603399528 359616340 /nfs/dbraw/zinc/61/63/40/359616340.db2.gz CBZASBFVJJTJQB-LLVKDONJSA-N 1 0 307.354 1.074 20 5 DDBDRO CNC(=O)c1ccc(NC[C@@H]2CSCC[NH2+]2)c([N+](=O)[O-])c1 ZINC000603418227 359628319 /nfs/dbraw/zinc/62/83/19/359628319.db2.gz DPYOESAPKJCWIX-SNVBAGLBSA-N 1 0 310.379 1.071 20 5 DDBDRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000237915888 283465925 /nfs/dbraw/zinc/46/59/25/283465925.db2.gz VEBABKFVTOAXMQ-SMDDNHRTSA-N 1 0 307.350 1.607 20 5 DDBDRO O=[N+]([O-])c1cc(CN2C[C@H]3C[NH2+]C[C@H]3C2)c2c(c1)COCO2 ZINC000603833432 359684859 /nfs/dbraw/zinc/68/48/59/359684859.db2.gz MYYLIFIYDCPWAK-BETUJISGSA-N 1 0 305.334 1.113 20 5 DDBDRO CC[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C[C@@H]1CCOC1 ZINC000603854339 359688522 /nfs/dbraw/zinc/68/85/22/359688522.db2.gz GUIPMQLYMTZGHR-DZGCQCFKSA-N 1 0 324.377 1.693 20 5 DDBDRO C[C@@H]1CC[C@@](CO)([N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000187963132 200183924 /nfs/dbraw/zinc/18/39/24/200183924.db2.gz QOYFSAWGCNGBHS-IUODEOHRSA-N 1 0 309.366 1.239 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000237580474 202291828 /nfs/dbraw/zinc/29/18/28/202291828.db2.gz CPZSKHVYVQCMHT-ZDUSSCGKSA-N 1 0 323.397 1.514 20 5 DDBDRO Cc1ccc(NCCCNC(=O)[C@H]2CC[C@@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000237668400 202324139 /nfs/dbraw/zinc/32/41/39/202324139.db2.gz FRINTXWGLPYQNC-QWHCGFSZSA-N 1 0 320.393 1.949 20 5 DDBDRO [NH3+]CCCOC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000237824549 202364203 /nfs/dbraw/zinc/36/42/03/202364203.db2.gz TWUNVGRFBGNZBA-UHFFFAOYSA-N 1 0 307.350 1.565 20 5 DDBDRO O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)[C@H]1CCC[NH2+]1 ZINC000237950306 202401530 /nfs/dbraw/zinc/40/15/30/202401530.db2.gz PGXURLQYNFZUHL-LLVKDONJSA-N 1 0 301.306 1.675 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCC[C@@H](CCO)C2)c1 ZINC000609204398 360273948 /nfs/dbraw/zinc/27/39/48/360273948.db2.gz MUQXDZKGYRNRMX-DZGCQCFKSA-N 1 0 324.377 1.429 20 5 DDBDRO C[N@@H+]1CCCN(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000609470713 360311910 /nfs/dbraw/zinc/31/19/10/360311910.db2.gz LKVDJNZKNAJGGA-UHFFFAOYSA-N 1 0 322.365 1.321 20 5 DDBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000609877698 360359249 /nfs/dbraw/zinc/35/92/49/360359249.db2.gz PDTQQGNYMDHMAF-NSHDSACASA-N 1 0 309.370 1.241 20 5 DDBDRO O=[N+]([O-])c1ncccc1N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000610489145 360449407 /nfs/dbraw/zinc/44/94/07/360449407.db2.gz HKTBIYKBDXYICG-CYBMUJFWSA-N 1 0 306.366 1.681 20 5 DDBDRO C[NH+](C)CCn1cc(NC(=O)c2ccc([N+](=O)[O-])cn2)cn1 ZINC000610771787 360534236 /nfs/dbraw/zinc/53/42/36/360534236.db2.gz ZAIXJVZRCGVSQI-UHFFFAOYSA-N 1 0 304.310 1.000 20 5 DDBDRO Nc1cc(N2CC[NH+](C3CCCC3)CC2)cc(CO)c1[N+](=O)[O-] ZINC000611525128 360747136 /nfs/dbraw/zinc/74/71/36/360747136.db2.gz FHTFPOQNNVOKEQ-UHFFFAOYSA-N 1 0 320.393 1.734 20 5 DDBDRO COc1cc(C(=O)N2CC[C@H](C[NH+](C)C)C2)cc([N+](=O)[O-])c1C ZINC000191794090 200764763 /nfs/dbraw/zinc/76/47/63/200764763.db2.gz RIMFAERZDKDSAF-GFCCVEGCSA-N 1 0 321.377 1.936 20 5 DDBDRO CC[C@H]1[NH2+]CC[C@H]1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000565890413 304101323 /nfs/dbraw/zinc/10/13/23/304101323.db2.gz QHXURCRXHOCHDD-ZIAGYGMSSA-N 1 0 307.350 1.478 20 5 DDBDRO [NH3+][C@H]1CC[C@H](C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000172818988 283640977 /nfs/dbraw/zinc/64/09/77/283640977.db2.gz DGAKMJVBTNBYPP-STQMWFEESA-N 1 0 318.377 1.371 20 5 DDBDRO CCC[NH2+]CCNS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000193343536 201036260 /nfs/dbraw/zinc/03/62/60/201036260.db2.gz VKIDJDRZCPDPDH-UHFFFAOYSA-N 1 0 315.395 1.490 20 5 DDBDRO C[NH+](C)C1CCN(CCNc2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000193464827 201057530 /nfs/dbraw/zinc/05/75/30/201057530.db2.gz UCQRKMSIHNPHNC-UHFFFAOYSA-N 1 0 307.398 1.615 20 5 DDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000423578421 283677161 /nfs/dbraw/zinc/67/71/61/283677161.db2.gz UNLFQWQPMQJDHB-AXFHLTTASA-N 1 0 304.350 1.376 20 5 DDBDRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000423651438 291281143 /nfs/dbraw/zinc/28/11/43/291281143.db2.gz VVZRVLBYSKQMJD-AAEUAGOBSA-N 1 0 318.377 1.757 20 5 DDBDRO COc1cc(C(=O)N2CC[C@H](C[NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000194501727 201240759 /nfs/dbraw/zinc/24/07/59/201240759.db2.gz GFUHDRUEURICIR-SECBINFHSA-N 1 0 309.322 1.033 20 5 DDBDRO Cc1cc(C(=O)N2CCC[C@@](O)(C[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000618923046 363802188 /nfs/dbraw/zinc/80/21/88/363802188.db2.gz BPZWPULPUCGVTG-MRXNPFEDSA-N 1 0 321.377 1.432 20 5 DDBDRO CCOc1cc(N2CC[NH+](C[C@@H](C)CO)CC2)ccc1[N+](=O)[O-] ZINC000619511681 364045514 /nfs/dbraw/zinc/04/55/14/364045514.db2.gz UZSHQTZWTYRONP-CYBMUJFWSA-N 1 0 323.393 1.744 20 5 DDBDRO C[NH+](C)C1(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCC1 ZINC000275420219 212322786 /nfs/dbraw/zinc/32/27/86/212322786.db2.gz CNCQGCSBAWVPSQ-UHFFFAOYSA-N 1 0 313.379 1.357 20 5 DDBDRO C[NH2+][C@@H](C)CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000261644972 203086645 /nfs/dbraw/zinc/08/66/45/203086645.db2.gz DNYCOGRTPCOJMX-NSHDSACASA-N 1 0 306.366 1.533 20 5 DDBDRO C[C@@H]1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)[C@@H](C[NH3+])C1 ZINC000261904278 203149744 /nfs/dbraw/zinc/14/97/44/203149744.db2.gz WPVRTCWQWZSVGM-DGCLKSJQSA-N 1 0 307.350 1.559 20 5 DDBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])cnc1N)[N@@H+]1CCCC[C@@H]1C ZINC000350014789 284132271 /nfs/dbraw/zinc/13/22/71/284132271.db2.gz QMUXUGYLPUOYTD-QWRGUYRKSA-N 1 0 321.381 1.565 20 5 DDBDRO COc1cc(C(=O)N[C@@H]2CC[C@@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000093990863 193336366 /nfs/dbraw/zinc/33/63/66/193336366.db2.gz GNIZZEIONOBHAQ-VXGBXAGGSA-N 1 0 307.350 1.816 20 5 DDBDRO CCc1n[nH]c(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000264615143 204029066 /nfs/dbraw/zinc/02/90/66/204029066.db2.gz QPCNBJVRHXMAHW-VIFPVBQESA-N 1 0 307.354 1.094 20 5 DDBDRO C[N@H+](CC1CC1)C[C@H]1CCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000350764130 284256913 /nfs/dbraw/zinc/25/69/13/284256913.db2.gz OCZHPQOVCHXRQF-CQSZACIVSA-N 1 0 307.398 1.455 20 5 DDBDRO COc1cc(C[NH2+][C@@H](C)Cn2cccn2)c([N+](=O)[O-])cc1OC ZINC000282578879 217103333 /nfs/dbraw/zinc/10/33/33/217103333.db2.gz LAMYZHDQZRYJSN-NSHDSACASA-N 1 0 320.349 1.987 20 5 DDBDRO Cc1nn(CCC(=O)NC(C)(C)CCC[NH3+])c(C)c1[N+](=O)[O-] ZINC000293645546 223635119 /nfs/dbraw/zinc/63/51/19/223635119.db2.gz KAUOEUGAYBDXFF-UHFFFAOYSA-N 1 0 311.386 1.432 20 5 DDBDRO C[NH+](C)C1(CNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)CCC1 ZINC000282690488 217179484 /nfs/dbraw/zinc/17/94/84/217179484.db2.gz AGBJUAWGOOIXRH-UHFFFAOYSA-N 1 0 310.329 1.530 20 5 DDBDRO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000313343225 296186040 /nfs/dbraw/zinc/18/60/40/296186040.db2.gz FMWXCIUUMKUCCJ-CQSZACIVSA-N 1 0 300.318 1.710 20 5 DDBDRO CN1CCC([NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000351504304 284351048 /nfs/dbraw/zinc/35/10/48/284351048.db2.gz VKSHCKFVJMQEPY-ZIAGYGMSSA-N 1 0 307.398 1.959 20 5 DDBDRO CC(C)[C@@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000160006337 197379732 /nfs/dbraw/zinc/37/97/32/197379732.db2.gz XWVMXXSAOFAONE-GFCCVEGCSA-N 1 0 323.397 1.804 20 5 DDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000036300129 248187630 /nfs/dbraw/zinc/18/76/30/248187630.db2.gz AEYOIELEACWHAM-UHFFFAOYSA-N 1 0 313.379 1.276 20 5 DDBDRO CN(CC(=O)N1CCC[C@H]([NH+](C)C)C1)c1ccccc1[N+](=O)[O-] ZINC000173015395 248327580 /nfs/dbraw/zinc/32/75/80/248327580.db2.gz OPOJNDJWCWFZAI-ZDUSSCGKSA-N 1 0 320.393 1.584 20 5 DDBDRO O=c1c([N+](=O)[O-])cc(Br)cn1CCC[NH2+]C1CC1 ZINC000042410533 183265186 /nfs/dbraw/zinc/26/51/86/183265186.db2.gz INAMMTKGCIPJTO-UHFFFAOYSA-N 1 0 316.155 1.661 20 5 DDBDRO Cc1c(CC(=O)N2CC[C@@]3(CC[NH2+]C3)C2)cccc1[N+](=O)[O-] ZINC000274171488 211399308 /nfs/dbraw/zinc/39/93/08/211399308.db2.gz BSHGPOKNLVPKOF-MRXNPFEDSA-N 1 0 303.362 1.658 20 5 DDBDRO COc1ccc(C[N@@H+]2CCCC[C@@H]2CC(N)=O)cc1[N+](=O)[O-] ZINC000339137937 250309369 /nfs/dbraw/zinc/30/93/69/250309369.db2.gz XMHMPHJXGROSAX-GFCCVEGCSA-N 1 0 307.350 1.833 20 5 DDBDRO O=[N+]([O-])c1ccc(CC[N@H+]2CCOC[C@@H]2[C@H]2CCC[C@H]2O)cc1 ZINC000285020497 218258781 /nfs/dbraw/zinc/25/87/81/218258781.db2.gz ZCFHCPNTCCCPCM-BRWVUGGUSA-N 1 0 320.389 1.999 20 5 DDBDRO COc1ccc(C[NH2+]C[C@@H]2CN(C3CC3)CCO2)cc1[N+](=O)[O-] ZINC000106470079 194218586 /nfs/dbraw/zinc/21/85/86/194218586.db2.gz FVXRIDJRRDJBIX-CQSZACIVSA-N 1 0 321.377 1.556 20 5 DDBDRO CCCc1n[nH]c(C(=O)N(C)CC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000109627517 194278907 /nfs/dbraw/zinc/27/89/07/194278907.db2.gz YLDUAAHRKUODQO-UHFFFAOYSA-N 1 0 309.370 1.438 20 5 DDBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000110609637 194342737 /nfs/dbraw/zinc/34/27/37/194342737.db2.gz KWJLLDGALFWUMG-LBPRGKRZSA-N 1 0 306.366 1.607 20 5 DDBDRO CC[NH2+]CCNS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000054266182 183932083 /nfs/dbraw/zinc/93/20/83/183932083.db2.gz MAPVUQAYTFSGPL-UHFFFAOYSA-N 1 0 301.368 1.099 20 5 DDBDRO O=[N+]([O-])c1cccc(S(=O)(=O)NCC[C@@H]2CCC[NH2+]C2)c1 ZINC000110792812 194359238 /nfs/dbraw/zinc/35/92/38/194359238.db2.gz CVDRCHCDOAJLHH-NSHDSACASA-N 1 0 313.379 1.263 20 5 DDBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CC(=O)N(C)C1 ZINC000268884482 207055445 /nfs/dbraw/zinc/05/54/45/207055445.db2.gz WUAPHLDNJQFLGR-JQWIXIFHSA-N 1 0 320.349 1.132 20 5 DDBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000110997424 194379930 /nfs/dbraw/zinc/37/99/30/194379930.db2.gz DROLEYLIEPHDLP-GFCCVEGCSA-N 1 0 306.366 1.902 20 5 DDBDRO CC(C)[N@H+](CCCC(=O)NC(N)=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000065953514 184383724 /nfs/dbraw/zinc/38/37/24/184383724.db2.gz CPZKQVPIIAUWKD-UHFFFAOYSA-N 1 0 322.365 1.780 20 5 DDBDRO C[C@H]1CN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC[C@@H]1[NH3+] ZINC000269252531 207391637 /nfs/dbraw/zinc/39/16/37/207391637.db2.gz GSAMDSGFPBBEPA-WFASDCNBSA-N 1 0 320.393 1.983 20 5 DDBDRO Cc1n[nH]c(C(=O)NCC[C@@H](C)[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000273169790 210547409 /nfs/dbraw/zinc/54/74/09/210547409.db2.gz DPZZSMHLQCOMOU-SNVBAGLBSA-N 1 0 309.370 1.621 20 5 DDBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000352590971 285161571 /nfs/dbraw/zinc/16/15/71/285161571.db2.gz PPLSADPEGVGDJS-IINYFYTJSA-N 1 0 307.325 1.900 20 5 DDBDRO O=[N+]([O-])c1cccnc1N1CC[NH+](CC[C@H]2CCCO2)CC1 ZINC000298048489 285165996 /nfs/dbraw/zinc/16/59/96/285165996.db2.gz IGIASHQNKUIFPY-CYBMUJFWSA-N 1 0 306.366 1.681 20 5 DDBDRO Cc1cc(NC[C@]2(C)CCC(=O)N2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000413332816 224179209 /nfs/dbraw/zinc/17/92/09/224179209.db2.gz COSKIXUVAYRWFV-INIZCTEOSA-N 1 0 314.345 1.954 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCCC[NH+](C)C ZINC000120803051 195240912 /nfs/dbraw/zinc/24/09/12/195240912.db2.gz JPFXGKYVHRUKDJ-UHFFFAOYSA-N 1 0 322.365 1.218 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N(C)C1CC([NH3+])C1 ZINC000417191079 533220236 /nfs/dbraw/zinc/22/02/36/533220236.db2.gz ZEIIBZHJBZPWMQ-UHFFFAOYSA-N 1 0 308.338 1.235 20 5 DDBDRO CC1(C)C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@H]1[C@@H]1CCCO1 ZINC000289683230 221151287 /nfs/dbraw/zinc/15/12/87/221151287.db2.gz HUCLQSZCLQRODY-ZFWWWQNUSA-N 1 0 321.377 1.646 20 5 DDBDRO C[C@H]1CSC[C@@H]1[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000352814415 285318203 /nfs/dbraw/zinc/31/82/03/285318203.db2.gz GERDHOXYLIHQBJ-GWCFXTLKSA-N 1 0 321.402 1.825 20 5 DDBDRO CSc1ccc(C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000290039662 221394465 /nfs/dbraw/zinc/39/44/65/221394465.db2.gz GMLGEMNIKHYDHU-NWDGAFQWSA-N 1 0 321.402 1.998 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](CC[NH3+])C(F)F ZINC000414647852 224367537 /nfs/dbraw/zinc/36/75/37/224367537.db2.gz AHUUAYJZBKJRQB-QMMMGPOBSA-N 1 0 318.280 1.707 20 5 DDBDRO Cc1ccc(NC(=O)N2CCCO[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000414663412 224369139 /nfs/dbraw/zinc/36/91/39/224369139.db2.gz SBDSYZMWOVEWEC-GFCCVEGCSA-N 1 0 308.338 1.485 20 5 DDBDRO Cc1c(C(=O)N[C@@H](CO)C[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000352852092 285336024 /nfs/dbraw/zinc/33/60/24/285336024.db2.gz DSAZPUNNPYWFIA-CYBMUJFWSA-N 1 0 321.377 1.480 20 5 DDBDRO O=C(Cc1ccccc1[N+](=O)[O-])N[C@@H](CO)C[NH+]1CCCCC1 ZINC000352868525 285347659 /nfs/dbraw/zinc/34/76/59/285347659.db2.gz SRTHPUAVZPQRSP-CQSZACIVSA-N 1 0 321.377 1.100 20 5 DDBDRO CC(C)[C@@](C)(CO)[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000352909464 285380684 /nfs/dbraw/zinc/38/06/84/285380684.db2.gz JAFCVRQYGCMSNJ-MRXNPFEDSA-N 1 0 321.377 1.481 20 5 DDBDRO COc1cccc(C(=O)N(C)CC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000444081725 533392672 /nfs/dbraw/zinc/39/26/72/533392672.db2.gz LNALAIWGDLAQMW-UHFFFAOYSA-N 1 0 307.350 1.771 20 5 DDBDRO COc1cccc(C(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)c1[N+](=O)[O-] ZINC000422762915 533414344 /nfs/dbraw/zinc/41/43/44/533414344.db2.gz NBXKNNODPCMNHE-WDEREUQCSA-N 1 0 307.350 1.721 20 5 DDBDRO COc1cc(C(=O)N2CCCC[C@@H]2C[NH3+])cc([N+](=O)[O-])c1C ZINC000422760463 533518128 /nfs/dbraw/zinc/51/81/28/533518128.db2.gz LUEXWXIUZVXXPZ-GFCCVEGCSA-N 1 0 307.350 1.865 20 5 DDBDRO Cc1n[nH]c(C(=O)N(C)CC[N@H+](C)C2CCCCC2)c1[N+](=O)[O-] ZINC000299508364 533658321 /nfs/dbraw/zinc/65/83/21/533658321.db2.gz FLCHLVQMKCULGP-UHFFFAOYSA-N 1 0 323.397 1.963 20 5 DDBDRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000418577000 533672312 /nfs/dbraw/zinc/67/23/12/533672312.db2.gz OQKYRMKHEUPKNQ-WCQYABFASA-N 1 0 306.366 1.734 20 5 DDBDRO CCC[N@H+](CC)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593559544 397393246 /nfs/dbraw/zinc/39/32/46/397393246.db2.gz WLKHJBPHWFVKFA-UHFFFAOYSA-N 1 0 316.383 1.000 20 5 DDBDRO Cc1cc(C(=O)N2CC[NH+](CC(C)C)CC2)c(N)c([N+](=O)[O-])c1 ZINC000170928144 407558620 /nfs/dbraw/zinc/55/86/20/407558620.db2.gz YDIOVUXFFSYNLG-UHFFFAOYSA-N 1 0 320.393 1.899 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2CCCC(F)(F)C2)c1 ZINC000514825350 307402673 /nfs/dbraw/zinc/40/26/73/307402673.db2.gz RMTUYRVZXCLSQS-MWLCHTKSSA-N 1 0 304.297 1.320 20 5 DDBDRO COc1cc(C(=O)N2CC[C@@H](C[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000114400287 407569354 /nfs/dbraw/zinc/56/93/54/407569354.db2.gz KOYZRMFVOAZFPI-NSHDSACASA-N 1 0 307.350 1.627 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NCC[NH+]1CCCCCC1 ZINC000068425013 406640199 /nfs/dbraw/zinc/64/01/99/406640199.db2.gz INYMADCABQKCGF-UHFFFAOYSA-N 1 0 309.370 1.092 20 5 DDBDRO NC(=O)[C@H]([NH2+]CCNc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000026221717 406903342 /nfs/dbraw/zinc/90/33/42/406903342.db2.gz XPRKSIVCUSTXFB-OAHLLOKOSA-N 1 0 314.345 1.823 20 5 DDBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000038083107 406999625 /nfs/dbraw/zinc/99/96/25/406999625.db2.gz PDSYHIRHRBFOFO-NEPJUHHUSA-N 1 0 312.391 1.989 20 5 DDBDRO COCC[NH+]1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000046057382 407052590 /nfs/dbraw/zinc/05/25/90/407052590.db2.gz JAXOSKVHVAEDAE-UHFFFAOYSA-N 1 0 309.366 1.238 20 5 DDBDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000046990346 407068657 /nfs/dbraw/zinc/06/86/57/407068657.db2.gz DNFCRLQFYYLAQC-CYBMUJFWSA-N 1 0 323.397 1.420 20 5 DDBDRO NC(=O)CC1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000048024592 407086485 /nfs/dbraw/zinc/08/64/85/407086485.db2.gz NAHDGYZWFSBPFM-UHFFFAOYSA-N 1 0 307.350 1.561 20 5 DDBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCS(=O)(=O)C2)c(Cl)c1 ZINC000049963502 407126831 /nfs/dbraw/zinc/12/68/31/407126831.db2.gz OOBSDXXMRFFCFE-VIFPVBQESA-N 1 0 318.782 1.773 20 5 DDBDRO O=C1NCCN1C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000052216191 407148559 /nfs/dbraw/zinc/14/85/59/407148559.db2.gz WBZBWBGZJLKBFZ-UHFFFAOYSA-N 1 0 304.350 1.584 20 5 DDBDRO Cc1c(CC(=O)N2CC[C@@H](C[NH+](C)C)C2)cccc1[N+](=O)[O-] ZINC000123026080 407317077 /nfs/dbraw/zinc/31/70/77/407317077.db2.gz SGKBQNMCJOXLEL-ZDUSSCGKSA-N 1 0 305.378 1.856 20 5 DDBDRO COc1ccc(C[N@@H+]2CCC[C@@H](CNC(C)=O)C2)cc1[N+](=O)[O-] ZINC000067413310 407273371 /nfs/dbraw/zinc/27/33/71/407273371.db2.gz VQMCARDKTQOSFQ-AWEZNQCLSA-N 1 0 321.377 1.952 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N(C)C2CC[NH+](C)CC2)c1 ZINC000067777842 407284693 /nfs/dbraw/zinc/28/46/93/407284693.db2.gz TYPCDJSYBNMCMB-UHFFFAOYSA-N 1 0 307.350 1.770 20 5 DDBDRO COC(=O)c1cc(C(=O)N2CCC[N@H+](C)CC2)cc([N+](=O)[O-])c1 ZINC000097617859 407300767 /nfs/dbraw/zinc/30/07/67/407300767.db2.gz VPVFMRZOKNOMGK-UHFFFAOYSA-N 1 0 321.333 1.159 20 5 DDBDRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000113225731 407476493 /nfs/dbraw/zinc/47/64/93/407476493.db2.gz ZJLFGGFCYWXNAQ-VXGBXAGGSA-N 1 0 321.381 1.222 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@H]2CCC[C@@H]2O)c1 ZINC000571046199 304433211 /nfs/dbraw/zinc/43/32/11/304433211.db2.gz AFWNLJLJWKUUMN-KYOSRNDESA-N 1 0 310.350 1.085 20 5 DDBDRO Cn1ccnc1[C@@H]1C[NH2+]CCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000261689183 407581917 /nfs/dbraw/zinc/58/19/17/407581917.db2.gz DXWTWMHPMNPJFK-AWEZNQCLSA-N 1 0 301.350 1.475 20 5 DDBDRO CC[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)CC(C)(C)O ZINC000114487433 407582035 /nfs/dbraw/zinc/58/20/35/407582035.db2.gz XZGHDKXLPARPNG-ZDUSSCGKSA-N 1 0 312.366 1.427 20 5 DDBDRO C[NH+](C)[C@H]1CCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000170833359 407524912 /nfs/dbraw/zinc/52/49/12/407524912.db2.gz CIBHVYQBROWGJF-AWEZNQCLSA-N 1 0 306.366 1.483 20 5 DDBDRO C[NH2+][C@H](C)CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000261738369 407598278 /nfs/dbraw/zinc/59/82/78/407598278.db2.gz MENSDVQXXUXMLT-CYBMUJFWSA-N 1 0 323.396 1.879 20 5 DDBDRO CC(C)(C(=O)N1CCC2(CC[NH2+]C2)CC1)n1cc([N+](=O)[O-])cn1 ZINC000261855895 407644528 /nfs/dbraw/zinc/64/45/28/407644528.db2.gz QYMNCBBXAYUCAQ-UHFFFAOYSA-N 1 0 321.381 1.129 20 5 DDBDRO CCCN(C(=O)CNc1ccccc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000178916275 407654512 /nfs/dbraw/zinc/65/45/12/407654512.db2.gz FUKGDIHEVIXBCU-GFCCVEGCSA-N 1 0 306.366 1.607 20 5 DDBDRO C[C@@]1(C[NH3+])CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000261737260 407596065 /nfs/dbraw/zinc/59/60/65/407596065.db2.gz KGBZRJCVUXHPOL-INIZCTEOSA-N 1 0 318.377 1.155 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000261912485 407669861 /nfs/dbraw/zinc/66/98/61/407669861.db2.gz XSQSOFODKRGOQL-UHFFFAOYSA-N 1 0 304.350 1.514 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[N@@H+](CCO)[C@@H]2CCc3ccccc32)c1 ZINC000266926082 407677210 /nfs/dbraw/zinc/67/72/10/407677210.db2.gz KJMQTILYMGDDQX-MRXNPFEDSA-N 1 0 316.361 1.773 20 5 DDBDRO CN(C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)[C@H]1CC[NH2+]C1 ZINC000179069022 407714840 /nfs/dbraw/zinc/71/48/40/407714840.db2.gz QXQVBZSPPBWMHP-ZDUSSCGKSA-N 1 0 318.377 1.629 20 5 DDBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)C[C@H]21 ZINC000262065323 407727850 /nfs/dbraw/zinc/72/78/50/407727850.db2.gz FKJQGNPUUDROOH-OWYVNGRQSA-N 1 0 307.325 1.933 20 5 DDBDRO CCC[NH2+]CCNC(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000236763004 407770281 /nfs/dbraw/zinc/77/02/81/407770281.db2.gz ZLHIHAMTEIGIDU-UHFFFAOYSA-N 1 0 311.338 1.098 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCSC3(CCOCC3)C2)n1 ZINC000186847615 407785938 /nfs/dbraw/zinc/78/59/38/407785938.db2.gz QPUDJHNAASNBJU-UHFFFAOYSA-N 1 0 312.395 1.389 20 5 DDBDRO C[C@@H]([NH2+]CC1(C(N)=O)CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000153202665 407777203 /nfs/dbraw/zinc/77/72/03/407777203.db2.gz FQVUTIMMMLKRAM-LLVKDONJSA-N 1 0 307.350 1.528 20 5 DDBDRO CC(C)(C)C[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000116922424 407797056 /nfs/dbraw/zinc/79/70/56/407797056.db2.gz XBZFBQGBQHWFBN-UHFFFAOYSA-N 1 0 315.395 1.509 20 5 DDBDRO C[C@@H]1CN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C[C@@H](C)[NH2+]1 ZINC000153360670 407806616 /nfs/dbraw/zinc/80/66/16/407806616.db2.gz MMSRKZJIAGKNMF-RKDXNWHRSA-N 1 0 303.322 1.294 20 5 DDBDRO COC[C@]1(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)CCC[NH2+]1 ZINC000262442125 407836420 /nfs/dbraw/zinc/83/64/20/407836420.db2.gz GWEGOMILDODJFL-CQSZACIVSA-N 1 0 311.313 1.232 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@H]3CCOC3)CC2)c(F)c1 ZINC000267329882 407836760 /nfs/dbraw/zinc/83/67/60/407836760.db2.gz BNRPPJNCUOBVEX-GFCCVEGCSA-N 1 0 309.341 1.892 20 5 DDBDRO [NH3+]C[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000238026867 407872414 /nfs/dbraw/zinc/87/24/14/407872414.db2.gz DLPLUXDXTNCXMI-RKDXNWHRSA-N 1 0 319.408 1.452 20 5 DDBDRO CC[NH+](CC)CCNC(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000118095537 407888581 /nfs/dbraw/zinc/88/85/81/407888581.db2.gz GORSVQOBSOKVFV-UHFFFAOYSA-N 1 0 322.365 1.300 20 5 DDBDRO CC[N@@H+]1CCCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000118826117 407951167 /nfs/dbraw/zinc/95/11/67/407951167.db2.gz VMTNRSWCFRQCPO-UHFFFAOYSA-N 1 0 306.366 1.221 20 5 DDBDRO CCc1n[nH]c(C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000268261563 407975710 /nfs/dbraw/zinc/97/57/10/407975710.db2.gz ZJLIJBMCKPXAKK-KCJUWKMLSA-N 1 0 307.354 1.093 20 5 DDBDRO C[C@H]1C[C@H](NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC[NH2+]1 ZINC000262955599 407983526 /nfs/dbraw/zinc/98/35/26/407983526.db2.gz VXTYATDEVFZRAL-DTWKUNHWSA-N 1 0 303.322 1.341 20 5 DDBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000268151147 407917903 /nfs/dbraw/zinc/91/79/03/407917903.db2.gz UQUPASLZXMTSEW-IAQYHMDHSA-N 1 0 318.377 1.877 20 5 DDBDRO C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000135541319 408026909 /nfs/dbraw/zinc/02/69/09/408026909.db2.gz XZWAFRJLCNNKKW-WCQYABFASA-N 1 0 319.365 1.097 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@H](CO)c1ccc(F)cc1 ZINC000273079819 408047257 /nfs/dbraw/zinc/04/72/57/408047257.db2.gz HEZGILSZBFQWAM-CQSZACIVSA-N 1 0 321.308 1.219 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[N@H+](C[C@@H](C)O)C[C@H]1C ZINC000189561349 408049460 /nfs/dbraw/zinc/04/94/60/408049460.db2.gz LKVRLXFUBPWPED-CHWSQXEVSA-N 1 0 323.393 1.490 20 5 DDBDRO C[C@@H]1C[C@H](NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC[NH2+]1 ZINC000262955604 407983849 /nfs/dbraw/zinc/98/38/49/407983849.db2.gz VXTYATDEVFZRAL-RKDXNWHRSA-N 1 0 303.322 1.341 20 5 DDBDRO C[NH+](C)[C@H](CNC(=O)COc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000079032541 161644683 /nfs/dbraw/zinc/64/46/83/161644683.db2.gz BTIOUHHKAVYBGW-CQSZACIVSA-N 1 0 307.350 1.430 20 5 DDBDRO CC1CCC([NH+]2CCN(CCn3cc([N+](=O)[O-])cn3)CC2)CC1 ZINC000174865159 407996782 /nfs/dbraw/zinc/99/67/82/407996782.db2.gz DZIQVWYCUYUMDK-UHFFFAOYSA-N 1 0 321.425 1.988 20 5 DDBDRO O=[N+]([O-])c1cnn(CCN2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000174870716 407998254 /nfs/dbraw/zinc/99/82/54/407998254.db2.gz OAKIOSDWQPFKOT-CQSZACIVSA-N 1 0 307.398 1.742 20 5 DDBDRO Cc1nc(N2CC[C@H](C[NH+]3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000268479682 408064799 /nfs/dbraw/zinc/06/47/99/408064799.db2.gz LCJDGWCPENDRTR-CYBMUJFWSA-N 1 0 306.366 1.457 20 5 DDBDRO O=C1NCCCC[C@@H]1[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000245857446 408080285 /nfs/dbraw/zinc/08/02/85/408080285.db2.gz KIGOKQIOSAHHMD-AAEUAGOBSA-N 1 0 319.365 1.145 20 5 DDBDRO C[C@]1([NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CCO[C@@H]1C1CC1 ZINC000273089675 408054358 /nfs/dbraw/zinc/05/43/58/408054358.db2.gz SGROLSBFJMCHEM-ZBFHGGJFSA-N 1 0 319.361 1.741 20 5 DDBDRO CC[C@@H]1CN(c2ccc([N+](=O)[O-])c(C)n2)CC[N@@H+]1C[C@@H](C)O ZINC000150767499 408194514 /nfs/dbraw/zinc/19/45/14/408194514.db2.gz LCRLUWVUTSKYIN-DGCLKSJQSA-N 1 0 308.382 1.580 20 5 DDBDRO CC[NH+]1CCN(CCCNc2nc(C)ccc2[N+](=O)[O-])CC1 ZINC000121276658 408176725 /nfs/dbraw/zinc/17/67/25/408176725.db2.gz LQCOJMASOLJZSS-UHFFFAOYSA-N 1 0 307.398 1.738 20 5 DDBDRO C[N@H+](CCNS(=O)(=O)Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000273536393 408237433 /nfs/dbraw/zinc/23/74/33/408237433.db2.gz VQNAMSSLEGHYTJ-UHFFFAOYSA-N 1 0 313.379 1.108 20 5 DDBDRO CCOC(=O)c1ccnc(N(CC)CCC[NH+](C)C)c1[N+](=O)[O-] ZINC000190288811 408213671 /nfs/dbraw/zinc/21/36/71/408213671.db2.gz XVFWDBYLVDAWNN-UHFFFAOYSA-N 1 0 324.381 1.945 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)NCCC2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000269471190 408318625 /nfs/dbraw/zinc/31/86/25/408318625.db2.gz ULKUEXWVPXOJCN-UHFFFAOYSA-N 1 0 323.397 1.903 20 5 DDBDRO C[NH2+]C[C@@H](C)CNS(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000133217125 162054387 /nfs/dbraw/zinc/05/43/87/162054387.db2.gz IUPPVALKOHTEEF-SECBINFHSA-N 1 0 315.395 1.345 20 5 DDBDRO CC(C)(C[NH3+])C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000165537710 162160758 /nfs/dbraw/zinc/16/07/58/162160758.db2.gz GYBDMSGIKCCCKI-UHFFFAOYSA-N 1 0 306.366 1.228 20 5 DDBDRO COc1ccc(OCC[N@@H+]2CCC[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC000173495164 162343029 /nfs/dbraw/zinc/34/30/29/162343029.db2.gz FTUSMSKCRPNSEQ-LBPRGKRZSA-N 1 0 310.350 1.687 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[NH2+]C2CCN(CC(F)(F)F)CC2)c1 ZINC000183354475 408387194 /nfs/dbraw/zinc/38/71/94/408387194.db2.gz RUJWNEGKROAMEP-UHFFFAOYSA-N 1 0 321.303 1.408 20 5 DDBDRO COc1ccc(CN(CCO)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000264351555 408456645 /nfs/dbraw/zinc/45/66/45/408456645.db2.gz HDXYNLVJJDAZQP-UHFFFAOYSA-N 1 0 323.393 1.492 20 5 DDBDRO CC[N@H+](CCO)CCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000274495252 408428352 /nfs/dbraw/zinc/42/83/52/408428352.db2.gz CTNXHYVFYTWVNT-UHFFFAOYSA-N 1 0 323.393 1.303 20 5 DDBDRO COCC[N@@H+]1CC[C@@H](NC(=O)/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000264429797 408486658 /nfs/dbraw/zinc/48/66/58/408486658.db2.gz ALRYNXZWEOXSGJ-PSKZRQQASA-N 1 0 319.361 1.445 20 5 DDBDRO Cc1cccc(C(=O)NCC2CC[NH+](CCO)CC2)c1[N+](=O)[O-] ZINC000160549996 408495422 /nfs/dbraw/zinc/49/54/22/408495422.db2.gz WVOMSLXMBWGTMK-UHFFFAOYSA-N 1 0 321.377 1.337 20 5 DDBDRO CS[C@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000270519339 408560090 /nfs/dbraw/zinc/56/00/90/408560090.db2.gz SKHSNTASQLANEE-KBPBESRZSA-N 1 0 323.418 1.641 20 5 DDBDRO C[C@H](O)[C@@H]1CC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000248456967 408572179 /nfs/dbraw/zinc/57/21/79/408572179.db2.gz LZPBWQMQNGGYDP-YNEHKIRRSA-N 1 0 310.350 1.037 20 5 DDBDRO C[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C[C@H]1CCOC1 ZINC000248470921 408575629 /nfs/dbraw/zinc/57/56/29/408575629.db2.gz VLNAJDIMKOYKAO-CHWSQXEVSA-N 1 0 310.350 1.303 20 5 DDBDRO COCC[N@@H+]1CC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000274802686 408538832 /nfs/dbraw/zinc/53/88/32/408538832.db2.gz KVKVASOYUOJXAR-ZDUSSCGKSA-N 1 0 322.365 1.745 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000248642881 408605467 /nfs/dbraw/zinc/60/54/67/408605467.db2.gz RQRWALTXQOLHDT-LEWSCRJBSA-N 1 0 318.377 1.470 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)n1 ZINC000248663925 408612136 /nfs/dbraw/zinc/61/21/36/408612136.db2.gz KHRLFCIDMYATHE-NEPJUHHUSA-N 1 0 323.397 1.661 20 5 DDBDRO C[C@@H](c1ccccn1)[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000270680760 408634386 /nfs/dbraw/zinc/63/43/86/408634386.db2.gz URCSPOHINMCOLU-WCQYABFASA-N 1 0 305.338 1.240 20 5 DDBDRO CC[N@H+](CCCO)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000270684894 408636069 /nfs/dbraw/zinc/63/60/69/408636069.db2.gz APVLWAYOKNWEDO-GFCCVEGCSA-N 1 0 309.366 1.935 20 5 DDBDRO C[C@@H]1CC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@H]1CO ZINC000248919310 408660631 /nfs/dbraw/zinc/66/06/31/408660631.db2.gz KMNGYYFUMPTGDA-ABAIWWIYSA-N 1 0 319.361 1.187 20 5 DDBDRO Cc1cnc(N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000275891328 408709893 /nfs/dbraw/zinc/70/98/93/408709893.db2.gz XZZINADPICLJJL-LBPRGKRZSA-N 1 0 308.382 1.580 20 5 DDBDRO C[C@H](C[NH+]1CCCCCC1)NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000185421747 408807421 /nfs/dbraw/zinc/80/74/21/408807421.db2.gz BLKCTKWMPKGEKE-LLVKDONJSA-N 1 0 321.381 1.566 20 5 DDBDRO [NH3+][C@H]1CC[C@H]2CN(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000185175263 408775159 /nfs/dbraw/zinc/77/51/59/408775159.db2.gz FATGAQQORKBKSC-JNHQWFCHSA-N 1 0 301.346 1.804 20 5 DDBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000276375750 408844813 /nfs/dbraw/zinc/84/48/13/408844813.db2.gz PIJROQASCMJOGB-LLVKDONJSA-N 1 0 320.393 1.979 20 5 DDBDRO Cc1c(C[NH+]2CCC(c3nc(=O)[nH][nH]3)CC2)cccc1[N+](=O)[O-] ZINC000280941409 408862607 /nfs/dbraw/zinc/86/26/07/408862607.db2.gz HVQJAXISJMXUJS-UHFFFAOYSA-N 1 0 317.349 1.694 20 5 DDBDRO O=C(Cc1ccccc1[N+](=O)[O-])N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000190742702 163156610 /nfs/dbraw/zinc/15/66/10/163156610.db2.gz MRXGUEAZQWLADS-ZDUSSCGKSA-N 1 0 303.362 1.880 20 5 DDBDRO C[C@@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1CO ZINC000190862225 163162428 /nfs/dbraw/zinc/16/24/28/163162428.db2.gz MZTZSQYNALTNMR-NEPJUHHUSA-N 1 0 307.350 1.484 20 5 DDBDRO CCOc1ccc(C(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000192461757 163223872 /nfs/dbraw/zinc/22/38/72/163223872.db2.gz PMTFUGVIAUAAAY-BETUJISGSA-N 1 0 319.361 1.627 20 5 DDBDRO C[C@@H]1C[C@H](N2CCOCC2)C[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000286174119 408936496 /nfs/dbraw/zinc/93/64/96/408936496.db2.gz WXNUBHGNSABBKV-PBHICJAKSA-N 1 0 319.405 1.932 20 5 DDBDRO C[C@@H]1C[C@@H](N2CCOCC2)C[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000286174123 408936554 /nfs/dbraw/zinc/93/65/54/408936554.db2.gz WXNUBHGNSABBKV-RHSMWYFYSA-N 1 0 319.405 1.932 20 5 DDBDRO CCc1n[nH]c(C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)c1[N+](=O)[O-] ZINC000277386086 408931330 /nfs/dbraw/zinc/93/13/30/408931330.db2.gz BOCNNUTYQIFZAA-NSHDSACASA-N 1 0 321.381 1.627 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NCC1([NH+](C)C)CCC1 ZINC000277601510 408975088 /nfs/dbraw/zinc/97/50/88/408975088.db2.gz ORXOGWRISZMUAA-UHFFFAOYSA-N 1 0 307.350 1.818 20 5 DDBDRO CCOc1cc(C[NH2+][C@@H]2C(=O)NCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000282308539 409031291 /nfs/dbraw/zinc/03/12/91/409031291.db2.gz KGNFGUIPEMCJKM-HZMBPMFUSA-N 1 0 307.350 1.608 20 5 DDBDRO CC[C@@H](C)[N@H+](CCO)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000287517758 409048211 /nfs/dbraw/zinc/04/82/11/409048211.db2.gz UVCMBEFOZPZEBC-GFCCVEGCSA-N 1 0 321.377 1.577 20 5 DDBDRO COCCO[C@@H]1C[C@@H](CO)C[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000278261683 409077794 /nfs/dbraw/zinc/07/77/94/409077794.db2.gz IGZVKZREEOZTEX-UKRRQHHQSA-N 1 0 324.377 1.441 20 5 DDBDRO CCCc1n[nH]c(C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)c1[N+](=O)[O-] ZINC000293327976 409089881 /nfs/dbraw/zinc/08/98/81/409089881.db2.gz IWNZLWPGLPHUML-VHSXEESVSA-N 1 0 307.354 1.094 20 5 DDBDRO CO[C@]1(C)CCC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000279313536 409189463 /nfs/dbraw/zinc/18/94/63/409189463.db2.gz NKOZJWBPKPHLMS-GOEBONIOSA-N 1 0 324.377 1.835 20 5 DDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])[C@H]1CCC[N@@H+]1C1CC1 ZINC000279231747 409174619 /nfs/dbraw/zinc/17/46/19/409174619.db2.gz RLXPGRAMGNLHQB-OAHLLOKOSA-N 1 0 303.362 1.880 20 5 DDBDRO C[NH+](C)CCn1nccc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000294168997 409253342 /nfs/dbraw/zinc/25/33/42/409253342.db2.gz SMQZCPACHYQWMR-UHFFFAOYSA-N 1 0 303.322 1.605 20 5 DDBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCC[N@H+]1CC=CCC1 ZINC000280268368 409281289 /nfs/dbraw/zinc/28/12/89/409281289.db2.gz PDKNPYHIXIOLLY-RMKNXTFCSA-N 1 0 301.346 1.986 20 5 DDBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C[NH+](C)C ZINC000294346008 409284258 /nfs/dbraw/zinc/28/42/58/409284258.db2.gz UFOMJLCFMXRKJK-SECBINFHSA-N 1 0 310.310 1.431 20 5 DDBDRO O=C(COc1ccccc1[N+](=O)[O-])N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000290048476 409293733 /nfs/dbraw/zinc/29/37/33/409293733.db2.gz HAVQTWIMSBNWFH-NEPJUHHUSA-N 1 0 305.334 1.042 20 5 DDBDRO C[C@@H]1[C@H](O)CCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000296095420 409430091 /nfs/dbraw/zinc/43/00/91/409430091.db2.gz HPYZSVHGXGFRKE-YRGRVCCFSA-N 1 0 310.350 1.180 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC=C(c3ccco3)C2)c1 ZINC000285405650 409433037 /nfs/dbraw/zinc/43/30/37/409433037.db2.gz UJPNDHOZOHRXAE-CQSZACIVSA-N 1 0 318.333 1.535 20 5 DDBDRO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000295330636 409438382 /nfs/dbraw/zinc/43/83/82/409438382.db2.gz DAKICJVHPUBXJP-NSHDSACASA-N 1 0 309.370 1.558 20 5 DDBDRO C[NH+](C)Cc1cc(CNC(=O)c2cc([N+](=O)[O-])n[nH]2)ccc1F ZINC000285483321 409461505 /nfs/dbraw/zinc/46/15/05/409461505.db2.gz LOAINQYPQSSJKW-UHFFFAOYSA-N 1 0 321.312 1.449 20 5 DDBDRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1cc(F)ccc1[N+](=O)[O-] ZINC000321979919 164045990 /nfs/dbraw/zinc/04/59/90/164045990.db2.gz OZBQQPQKLNAFRU-RYUDHWBXSA-N 1 0 323.324 1.327 20 5 DDBDRO O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CC[NH+]2CCC1CC2 ZINC000408162514 164247511 /nfs/dbraw/zinc/24/75/11/164247511.db2.gz XEESMQXBGQNFMO-UHFFFAOYSA-N 1 0 314.345 1.996 20 5 DDBDRO COc1cc(C[NH2+]C[C@@H]2COCCO2)c([N+](=O)[O-])cc1OC ZINC000337871691 409527515 /nfs/dbraw/zinc/52/75/15/409527515.db2.gz OALINUGKSADBIB-LLVKDONJSA-N 1 0 312.322 1.117 20 5 DDBDRO COc1c(C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000331591907 409670058 /nfs/dbraw/zinc/67/00/58/409670058.db2.gz XZBUEQYHXSLZJN-GHMZBOCLSA-N 1 0 319.361 1.958 20 5 DDBDRO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000356891009 409691459 /nfs/dbraw/zinc/69/14/59/409691459.db2.gz WCVYAGCNCZKOSW-STQMWFEESA-N 1 0 320.393 1.948 20 5 DDBDRO CS[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C[C@@H]1[NH+]1CCCC1 ZINC000331665098 409749957 /nfs/dbraw/zinc/74/99/57/409749957.db2.gz YUWXFRLMEKMZGC-STQMWFEESA-N 1 0 324.406 1.575 20 5 DDBDRO COc1ccc(NC(=O)[C@@H](C)N2CCC[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000346090915 409774172 /nfs/dbraw/zinc/77/41/72/409774172.db2.gz LEFCTYHUVDSRFV-MNOVXSKESA-N 1 0 322.365 1.354 20 5 DDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357069003 409836508 /nfs/dbraw/zinc/83/65/08/409836508.db2.gz FASJPSDLOUNNQJ-AGIUHOORSA-N 1 0 318.377 1.463 20 5 DDBDRO Cc1c(NC(=O)CCN2CCC[C@@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000346110006 409790831 /nfs/dbraw/zinc/79/08/31/409790831.db2.gz VLSUCWKMWLAHON-GFCCVEGCSA-N 1 0 306.366 1.655 20 5 DDBDRO COc1cc(C[N@@H+]2C[C@@H]3CC[C@@H](O)[C@@H]3C2)c([N+](=O)[O-])cc1OC ZINC000346319633 409914281 /nfs/dbraw/zinc/91/42/81/409914281.db2.gz CMGLOKKIDHYPHZ-ZKYQVNSYSA-N 1 0 322.361 1.815 20 5 DDBDRO C[C@@H](C[NH+](C)C)NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000346260953 409886835 /nfs/dbraw/zinc/88/68/35/409886835.db2.gz LHBFKWRGBRTFSP-QMMMGPOBSA-N 1 0 317.292 1.876 20 5 DDBDRO COCCC[N@H+](C)CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000357331640 409975904 /nfs/dbraw/zinc/97/59/04/409975904.db2.gz JRLNNNSXBFHJMX-UHFFFAOYSA-N 1 0 313.329 1.432 20 5 DDBDRO CC1(C)CN(C(=O)CCOc2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000357350992 409988402 /nfs/dbraw/zinc/98/84/02/409988402.db2.gz SFLUZCZOHADECE-UHFFFAOYSA-N 1 0 307.350 1.574 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2CCC[N@H+](C)[C@H]2C)n1 ZINC000342829664 409933164 /nfs/dbraw/zinc/93/31/64/409933164.db2.gz FDHJVJSZMMMTSG-VHSXEESVSA-N 1 0 308.338 1.671 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NC[C@]1(O)CC[N@H+](C)C1 ZINC000342833359 409933930 /nfs/dbraw/zinc/93/39/30/409933930.db2.gz ZDLUVOPLMXRTGG-OAHLLOKOSA-N 1 0 323.349 1.168 20 5 DDBDRO COC(=O)[C@@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)[C@@H]1C ZINC000346657677 410061395 /nfs/dbraw/zinc/06/13/95/410061395.db2.gz LHCKZTKLSZRNRQ-BXUZGUMPSA-N 1 0 308.334 1.857 20 5 DDBDRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000346724330 410114176 /nfs/dbraw/zinc/11/41/76/410114176.db2.gz WVXJNDRSAOZBEB-LLVKDONJSA-N 1 0 311.338 1.371 20 5 DDBDRO CCCC[N@H+](C)CCNc1ncc(C(=O)OC)cc1[N+](=O)[O-] ZINC000357706890 410199502 /nfs/dbraw/zinc/19/95/02/410199502.db2.gz IVSDQGPWUGXGRE-UHFFFAOYSA-N 1 0 310.354 1.920 20 5 DDBDRO CCOc1ccc(C(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000351831227 410271418 /nfs/dbraw/zinc/27/14/18/410271418.db2.gz VXYTUTSDYNIOPR-PWSUYJOCSA-N 1 0 307.350 1.803 20 5 DDBDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2cc([N+](=O)[O-])cnc2N)C[C@H]1C ZINC000351940185 410354077 /nfs/dbraw/zinc/35/40/77/410354077.db2.gz ZUCYTKUUCNAYSQ-ZJUUUORDSA-N 1 0 307.354 1.127 20 5 DDBDRO C[C@H]1[C@H](NC(=O)CCNc2ccccc2[N+](=O)[O-])CCC[N@@H+]1C ZINC000343460458 410471859 /nfs/dbraw/zinc/47/18/59/410471859.db2.gz RVBOVKYMYFVITK-QWHCGFSZSA-N 1 0 320.393 1.996 20 5 DDBDRO COC[C@H]1CC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000352233282 410565804 /nfs/dbraw/zinc/56/58/04/410565804.db2.gz BOHGUXSLWWWKEN-SWLSCSKDSA-N 1 0 319.361 1.668 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@H](CO)c1cccc(F)c1 ZINC000359529898 410711554 /nfs/dbraw/zinc/71/15/54/410711554.db2.gz LLFSZBFHOVZPHU-CQSZACIVSA-N 1 0 321.308 1.219 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H]1CCCC[C@@H]1OC(F)F ZINC000337377691 410744235 /nfs/dbraw/zinc/74/42/35/410744235.db2.gz BVACXJHVOZRRKW-SCZZXKLOSA-N 1 0 304.297 1.968 20 5 DDBDRO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])n1C)C[NH+]1CCCCC1 ZINC000330525842 410748665 /nfs/dbraw/zinc/74/86/65/410748665.db2.gz CUPOJXDDEUBUJY-LBPRGKRZSA-N 1 0 308.382 1.785 20 5 DDBDRO CCC[N@H+](C)C[C@H]1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)C1 ZINC000301896939 410823533 /nfs/dbraw/zinc/82/35/33/410823533.db2.gz ZVNBBMWHBMQBRE-GFCCVEGCSA-N 1 0 318.381 1.806 20 5 DDBDRO COc1c(C(=O)N2CC[N@H+](C)CC[C@H]2C)cccc1[N+](=O)[O-] ZINC000356099557 410831840 /nfs/dbraw/zinc/83/18/40/410831840.db2.gz QSVFZZLZOCYGIV-LLVKDONJSA-N 1 0 307.350 1.770 20 5 DDBDRO Cn1nc([N+](=O)[O-])cc1C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000356146806 410863039 /nfs/dbraw/zinc/86/30/39/410863039.db2.gz IIPWPIXSWSDYMZ-LLVKDONJSA-N 1 0 323.378 1.423 20 5 DDBDRO COc1c(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)cccc1[N+](=O)[O-] ZINC000356203260 410893635 /nfs/dbraw/zinc/89/36/35/410893635.db2.gz LLTGALCDHMZTNG-NSHDSACASA-N 1 0 307.350 1.770 20 5 DDBDRO C[C@@H](Cn1cc(Br)c(=O)c([N+](=O)[O-])c1)[NH+](C)C ZINC000331088452 410940532 /nfs/dbraw/zinc/94/05/32/410940532.db2.gz SABKUVKNMREOIT-ZETCQYMHSA-N 1 0 304.144 1.469 20 5 DDBDRO O=[N+]([O-])c1ccc(C[NH2+]CCc2nnnn2-c2ccccc2)cc1 ZINC000337809795 411012404 /nfs/dbraw/zinc/01/24/04/411012404.db2.gz LWRVDNATMGGJBQ-UHFFFAOYSA-N 1 0 324.344 1.903 20 5 DDBDRO CCC[NH+]1CCC(NC(=O)c2nn(CC)cc2[N+](=O)[O-])CC1 ZINC000331204446 411015407 /nfs/dbraw/zinc/01/54/07/411015407.db2.gz OFCALVFBEYXMRZ-UHFFFAOYSA-N 1 0 309.370 1.415 20 5 DDBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)CC1(O)CCC1 ZINC000353480878 411021181 /nfs/dbraw/zinc/02/11/81/411021181.db2.gz JNSLQXXNHCYXHM-LLVKDONJSA-N 1 0 307.350 1.769 20 5 DDBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H](O)C(F)F ZINC000341365964 411024311 /nfs/dbraw/zinc/02/43/11/411024311.db2.gz RRAYGEDYLFSVET-KCJUWKMLSA-N 1 0 317.292 1.528 20 5 DDBDRO Cc1ccc(C[NH2+]C[C@@H]2CCCCS2(=O)=O)cc1[N+](=O)[O-] ZINC000344369981 411096194 /nfs/dbraw/zinc/09/61/94/411096194.db2.gz XPGYLFJQUGYZEE-ZDUSSCGKSA-N 1 0 312.391 1.960 20 5 DDBDRO CC1(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[NH2+]CC1 ZINC000129252175 196033239 /nfs/dbraw/zinc/03/32/39/196033239.db2.gz PVAJKFXMVACPKA-UHFFFAOYSA-N 1 0 313.379 1.263 20 5 DDBDRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000580539828 422939690 /nfs/dbraw/zinc/93/96/90/422939690.db2.gz UOBAVIMMQQTGGF-VXGBXAGGSA-N 1 0 322.365 1.400 20 5 DDBDRO C[C@H](C[NH3+])CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000418467169 225749351 /nfs/dbraw/zinc/74/93/51/225749351.db2.gz IBGKCQMQMSUIBC-LLVKDONJSA-N 1 0 306.366 1.864 20 5 DDBDRO COC[C@]1(C)CC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000296665974 226104567 /nfs/dbraw/zinc/10/45/67/226104567.db2.gz KJOKVXOJRGIMRP-GDBMZVCRSA-N 1 0 324.377 1.693 20 5 DDBDRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000419322455 226114828 /nfs/dbraw/zinc/11/48/28/226114828.db2.gz HKDGQTWFYUWDMQ-UONOGXRCSA-N 1 0 323.393 1.361 20 5 DDBDRO C[C@H]1OCC[C@@]12CN(Cc1c([N+](=O)[O-])ncn1C)C[C@@H](C)O2 ZINC000366085780 418428753 /nfs/dbraw/zinc/42/87/53/418428753.db2.gz HBWCOSCTKYTGRL-JTNHKYCSSA-N 1 0 310.354 1.097 20 5 DDBDRO O=C1CCc2cc([N+](=O)[O-])c(NCC[NH+]3CCCC3)cc2N1 ZINC000193668695 418534408 /nfs/dbraw/zinc/53/44/08/418534408.db2.gz AXGUXTQDNJMTAE-UHFFFAOYSA-N 1 0 304.350 1.987 20 5 DDBDRO Nc1c(C(=O)N2CCC3(C2)CC[NH2+]CC3)cccc1[N+](=O)[O-] ZINC000374513769 418537354 /nfs/dbraw/zinc/53/73/54/418537354.db2.gz KUCGSYPLPDTDGX-UHFFFAOYSA-N 1 0 304.350 1.393 20 5 DDBDRO Cc1c(NC(=O)N2CCN(CCO)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000188369416 222011819 /nfs/dbraw/zinc/01/18/19/222011819.db2.gz WCLHPTNNBVKQTQ-NSHDSACASA-N 1 0 322.365 1.434 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)n1 ZINC000191787795 222110078 /nfs/dbraw/zinc/11/00/78/222110078.db2.gz ZLGHEYWHUBLBNJ-GFCCVEGCSA-N 1 0 323.397 1.661 20 5 DDBDRO CCN1CCC([N@H+](CCn2ccc([N+](=O)[O-])n2)C2CC2)CC1 ZINC000375006455 418587604 /nfs/dbraw/zinc/58/76/04/418587604.db2.gz XCQOZBZULOLEFS-UHFFFAOYSA-N 1 0 307.398 1.740 20 5 DDBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000367839361 418644087 /nfs/dbraw/zinc/64/40/87/418644087.db2.gz AMSJYLOTNJUMMD-CMPLNLGQSA-N 1 0 319.365 1.271 20 5 DDBDRO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CCN1CCCOCC1 ZINC000361376898 418639096 /nfs/dbraw/zinc/63/90/96/418639096.db2.gz NAJSZDCYNAOSBS-UHFFFAOYSA-N 1 0 307.394 1.791 20 5 DDBDRO CNc1c(C(=O)NC[C@@H]2CCC[N@H+](C)C2)cccc1[N+](=O)[O-] ZINC000388640052 418747082 /nfs/dbraw/zinc/74/70/82/418747082.db2.gz MTCGQDRNOWURPR-NSHDSACASA-N 1 0 306.366 1.708 20 5 DDBDRO O=C(/C=C\c1ccccc1[N+](=O)[O-])N1CC[C@]2(CC[NH2+]C2)C1 ZINC000389110718 418747801 /nfs/dbraw/zinc/74/78/01/418747801.db2.gz KMUJPDVMCNQZBY-KJPDOMRESA-N 1 0 301.346 1.820 20 5 DDBDRO O=C(CNc1ccccc1[N+](=O)[O-])N(C1CC1)C1CC[NH2+]CC1 ZINC000372024819 418831906 /nfs/dbraw/zinc/83/19/06/418831906.db2.gz CTLJHOPCJXAABZ-UHFFFAOYSA-N 1 0 318.377 1.750 20 5 DDBDRO COc1ccc2c(c1)CC[N@@H+](CCn1cc([N+](=O)[O-])cn1)CC2 ZINC000372376838 418862132 /nfs/dbraw/zinc/86/21/32/418862132.db2.gz PLQCIDSVQUPKNL-UHFFFAOYSA-N 1 0 316.361 1.901 20 5 DDBDRO NC(=O)c1ccc(C[NH2+][C@H]2CCO[C@@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000372810273 418904107 /nfs/dbraw/zinc/90/41/07/418904107.db2.gz PBVVIWYAFSAWSJ-GXTWGEPZSA-N 1 0 305.334 1.351 20 5 DDBDRO Cc1ccc([C@@H](C)NC(=O)NC[C@H]2C[NH2+]CCO2)cc1[N+](=O)[O-] ZINC000417822248 419342685 /nfs/dbraw/zinc/34/26/85/419342685.db2.gz FJFLUCYWYMXEQC-DGCLKSJQSA-N 1 0 322.365 1.252 20 5 DDBDRO C[C@@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H]1CO ZINC000411607711 419360997 /nfs/dbraw/zinc/36/09/97/419360997.db2.gz DFUYVQOBKFOFGS-RISCZKNCSA-N 1 0 307.350 1.626 20 5 DDBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)NCC[C@@H]1CC[NH2+]C1 ZINC000417939088 419401701 /nfs/dbraw/zinc/40/17/01/419401701.db2.gz JYOLSAYYSWJUHM-ZDUSSCGKSA-N 1 0 306.366 1.436 20 5 DDBDRO C[C@@H]1C[C@@H](CO)C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000420943349 419372224 /nfs/dbraw/zinc/37/22/24/419372224.db2.gz PSSHVQSGBFTFFP-CHWSQXEVSA-N 1 0 321.377 1.874 20 5 DDBDRO Cc1n[nH]c(C)c1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000425999975 419377149 /nfs/dbraw/zinc/37/71/49/419377149.db2.gz FXOZVLCZWYAULZ-UHFFFAOYSA-N 1 0 304.354 1.968 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](CO)[C@H]1CCCOC1 ZINC000411983746 419541906 /nfs/dbraw/zinc/54/19/06/419541906.db2.gz GKXWJNAINXSZHY-GXTWGEPZSA-N 1 0 310.350 1.481 20 5 DDBDRO C[C@H](NC(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000418233996 419633795 /nfs/dbraw/zinc/63/37/95/419633795.db2.gz PIRGKPIDIAZLHY-YUTCNCBUSA-N 1 0 318.377 1.907 20 5 DDBDRO C[NH+](C)CC1(C(=O)NCCn2cc([N+](=O)[O-])cn2)CCCCC1 ZINC000427041244 419586182 /nfs/dbraw/zinc/58/61/82/419586182.db2.gz QKWZGGQGGCBXBA-UHFFFAOYSA-N 1 0 323.397 1.420 20 5 DDBDRO CCCN(CCC[NH+](C)C)C(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000427493967 419673003 /nfs/dbraw/zinc/67/30/03/419673003.db2.gz ZOTBJNBZOYLVKH-UHFFFAOYSA-N 1 0 311.386 1.615 20 5 DDBDRO CC(C)(NC(=O)NC[C@H]1CCC[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC000418358414 419740135 /nfs/dbraw/zinc/74/01/35/419740135.db2.gz DNHJXVLNTQMGFH-GFCCVEGCSA-N 1 0 306.366 1.881 20 5 DDBDRO Nc1c(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cc(F)cc1[N+](=O)[O-] ZINC000299002311 228870466 /nfs/dbraw/zinc/87/04/66/228870466.db2.gz JWXRWTRYIVHTFN-NWDGAFQWSA-N 1 0 322.340 1.673 20 5 DDBDRO C[C@H](C[NH3+])CNC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000418486619 419831451 /nfs/dbraw/zinc/83/14/51/419831451.db2.gz IOVPINDGNYGSPK-SNVBAGLBSA-N 1 0 308.338 1.094 20 5 DDBDRO O=C(CCN1CC[C@@H]2[NH2+]CC[C@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000428035322 419795871 /nfs/dbraw/zinc/79/58/71/419795871.db2.gz PMQMAVSBABTACJ-STQMWFEESA-N 1 0 318.377 1.607 20 5 DDBDRO Cc1cc(OCC(=O)N2CC[N@@H+](C)CC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000431989413 229072341 /nfs/dbraw/zinc/07/23/41/229072341.db2.gz ANOVAQUYDJSSCO-ZDUSSCGKSA-N 1 0 321.377 1.835 20 5 DDBDRO C[C@@H](NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)[C@@H]1CCC[NH2+]C1 ZINC000428983374 419956529 /nfs/dbraw/zinc/95/65/29/419956529.db2.gz VGQZJOBNCGDUMF-GHMZBOCLSA-N 1 0 309.370 1.031 20 5 DDBDRO C[NH2+]C[C@H](C)CNC(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1 ZINC000429222103 419988299 /nfs/dbraw/zinc/98/82/99/419988299.db2.gz UNSBOYABWIMFDY-VIFPVBQESA-N 1 0 311.338 1.197 20 5 DDBDRO [NH3+]C[C@H]1CC[C@H](CNC(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000415392376 420048469 /nfs/dbraw/zinc/04/84/69/420048469.db2.gz XVALSKAEILVBKW-XYPYZODXSA-N 1 0 307.354 1.298 20 5 DDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H](C)C[NH2+]C ZINC000415415090 420053504 /nfs/dbraw/zinc/05/35/04/420053504.db2.gz QAVDOWLJOBHTSL-SNVBAGLBSA-N 1 0 322.365 1.067 20 5 DDBDRO CCOC(=O)c1cc(C(=O)NC[C@@H]([NH3+])C2CC2)cc([N+](=O)[O-])c1 ZINC000423473181 420056893 /nfs/dbraw/zinc/05/68/93/420056893.db2.gz GXAZIOBAWYUMGH-CYBMUJFWSA-N 1 0 321.333 1.239 20 5 DDBDRO C[NH2+][C@H]1CCCN(C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000415439653 420066652 /nfs/dbraw/zinc/06/66/52/420066652.db2.gz MZQQEBSOZLXFDG-NSHDSACASA-N 1 0 308.338 1.819 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](CC(N)=O)C1 ZINC000430236368 420094334 /nfs/dbraw/zinc/09/43/34/420094334.db2.gz HDVAOFPZJAVJRA-NSHDSACASA-N 1 0 307.350 1.691 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000423618651 420101833 /nfs/dbraw/zinc/10/18/33/420101833.db2.gz HLPKCJOYIXYJJM-WDEREUQCSA-N 1 0 307.350 1.864 20 5 DDBDRO COC(=O)c1cc(NC(=O)N(C)[C@@H](C)C[NH3+])c(C)c([N+](=O)[O-])c1 ZINC000415600309 420121970 /nfs/dbraw/zinc/12/19/70/420121970.db2.gz NQEKVLSQMQMWRL-QMMMGPOBSA-N 1 0 324.337 1.501 20 5 DDBDRO C[NH2+]CCNC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000415454061 420074436 /nfs/dbraw/zinc/07/44/36/420074436.db2.gz ZRTAEDLPWKYMOW-UHFFFAOYSA-N 1 0 306.244 1.955 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000415498159 420089775 /nfs/dbraw/zinc/08/97/75/420089775.db2.gz IOQQENIUVLYUBN-GHMZBOCLSA-N 1 0 320.349 1.677 20 5 DDBDRO Cc1cc(OCC(=O)N[C@@H]2CCC[N@H+](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000430787129 420190377 /nfs/dbraw/zinc/19/03/77/420190377.db2.gz FFLGINURLBHFHV-GXTWGEPZSA-N 1 0 321.377 1.881 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCCC[C@@H]1C[NH3+] ZINC000430633808 420165609 /nfs/dbraw/zinc/16/56/09/420165609.db2.gz QJTWOQUQJIQMNN-CYBMUJFWSA-N 1 0 306.366 1.655 20 5 DDBDRO [NH3+]C1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000430640458 420167053 /nfs/dbraw/zinc/16/70/53/420167053.db2.gz KICRCTQNNAAKIY-UHFFFAOYSA-N 1 0 303.322 1.568 20 5 DDBDRO C[NH2+][C@H]1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000430658566 420172019 /nfs/dbraw/zinc/17/20/19/420172019.db2.gz XVYIEMWEFYXHSJ-NSHDSACASA-N 1 0 322.365 1.226 20 5 DDBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000430953688 420222069 /nfs/dbraw/zinc/22/20/69/420222069.db2.gz HVUHSKYHYPFFAG-TUAOUCFPSA-N 1 0 306.366 1.604 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC[C@@H]([NH3+])C(C)C)c1 ZINC000420439565 420289204 /nfs/dbraw/zinc/28/92/04/420289204.db2.gz BFBXNJPXNRASJW-LLVKDONJSA-N 1 0 315.395 1.473 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000420360446 420234948 /nfs/dbraw/zinc/23/49/48/420234948.db2.gz HDQOPAGQOPUWJY-YWPYICTPSA-N 1 0 320.393 1.818 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000420372210 420242851 /nfs/dbraw/zinc/24/28/51/420242851.db2.gz QBHAIWNDZHDBMG-NSODJVPESA-N 1 0 320.393 1.818 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000420372208 420243551 /nfs/dbraw/zinc/24/35/51/420243551.db2.gz QBHAIWNDZHDBMG-KANYHAFZSA-N 1 0 320.393 1.818 20 5 DDBDRO C[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C[C@H]1C[NH3+] ZINC000420479268 420308415 /nfs/dbraw/zinc/30/84/15/420308415.db2.gz MFSCNNQAKAFIIC-RKDXNWHRSA-N 1 0 319.408 1.262 20 5 DDBDRO C[C@@H]1CCN(C(=O)COc2ccccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000423999420 420300921 /nfs/dbraw/zinc/30/09/21/420300921.db2.gz BDWGYPUVENKKQC-NEPJUHHUSA-N 1 0 307.350 1.417 20 5 DDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)CCC[NH2+]C ZINC000420466230 420304383 /nfs/dbraw/zinc/30/43/83/420304383.db2.gz AJDDWSDRTAIGMN-UHFFFAOYSA-N 1 0 315.395 1.387 20 5 DDBDRO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000443867431 230034195 /nfs/dbraw/zinc/03/41/95/230034195.db2.gz JEENEEIHQQOSEU-CYBMUJFWSA-N 1 0 322.365 1.250 20 5 DDBDRO COc1cccc(N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000450788930 420531649 /nfs/dbraw/zinc/53/16/49/420531649.db2.gz FBOBWWPWJORPCU-TXEJJXNPSA-N 1 0 309.366 1.495 20 5 DDBDRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000417774224 420475221 /nfs/dbraw/zinc/47/52/21/420475221.db2.gz YRRQAQGSFYKESF-ZIAGYGMSSA-N 1 0 320.393 1.954 20 5 DDBDRO C[NH2+][C@H]1CCN(S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])C1 ZINC000440730411 420600862 /nfs/dbraw/zinc/60/08/62/420600862.db2.gz HWSLOPKAPXMNTL-NSHDSACASA-N 1 0 313.379 1.194 20 5 DDBDRO CCC[NH2+]CCNS(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000440842789 420612852 /nfs/dbraw/zinc/61/28/52/420612852.db2.gz FWBNBJRQPBYXSP-UHFFFAOYSA-N 1 0 301.368 1.181 20 5 DDBDRO COC(=O)[C@@H](O)C1CC[NH+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000441230723 420641532 /nfs/dbraw/zinc/64/15/32/420641532.db2.gz JTXWTDMZVDKGNC-NHYWBVRUSA-N 1 0 322.361 1.902 20 5 DDBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1C[C@H](C[NH3+])C[C@H]1C ZINC000442765057 420712234 /nfs/dbraw/zinc/71/22/34/420712234.db2.gz ITKCSJFJZJSVFG-WOPDTQHZSA-N 1 0 306.366 1.591 20 5 DDBDRO CNc1nc(C(=O)NCCC[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000454347669 420844421 /nfs/dbraw/zinc/84/44/21/420844421.db2.gz MDYUPCPOBZGTBQ-UHFFFAOYSA-N 1 0 321.381 1.637 20 5 DDBDRO O=C(/C=C\c1ccc(F)cc1[N+](=O)[O-])N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000493386941 420835496 /nfs/dbraw/zinc/83/54/96/420835496.db2.gz OQWWCHCLQNIMIM-UZMLQMNBSA-N 1 0 319.336 1.815 20 5 DDBDRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)/C=C\c3ccc(F)cc3[N+](=O)[O-])C[C@@H]12 ZINC000493405309 420840511 /nfs/dbraw/zinc/84/05/11/420840511.db2.gz UIUPXCCWUPJWHH-LRYGQVGZSA-N 1 0 319.336 1.943 20 5 DDBDRO CO[C@@H]1COC[C@@H]1[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000459759597 420866480 /nfs/dbraw/zinc/86/64/80/420866480.db2.gz RFPTUJFJPCYXDQ-DDTOSNHZSA-N 1 0 323.349 1.315 20 5 DDBDRO C[N@H+]1C[C@H]2CN(C(=O)/C=C/c3ccc(F)cc3[N+](=O)[O-])C[C@H]2C1 ZINC000493594424 420891244 /nfs/dbraw/zinc/89/12/44/420891244.db2.gz UCTFPLLMKMVFEG-AYKMPCHXSA-N 1 0 319.336 1.767 20 5 DDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCCN(CCCO)C2)c(F)c1 ZINC000449397071 421007598 /nfs/dbraw/zinc/00/75/98/421007598.db2.gz NWIQMKKMOFQUFB-ZDUSSCGKSA-N 1 0 311.357 1.670 20 5 DDBDRO CNC(=O)C[C@H](C)[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000449604145 421035607 /nfs/dbraw/zinc/03/56/07/421035607.db2.gz SGNXOCUGKDYOLN-WDEREUQCSA-N 1 0 322.365 1.426 20 5 DDBDRO [NH3+]CC[C@@H](NC(=O)CNc1ccccc1[N+](=O)[O-])C(F)F ZINC000449609702 421037192 /nfs/dbraw/zinc/03/71/92/421037192.db2.gz CURXTZVGCHFQKZ-SECBINFHSA-N 1 0 302.281 1.105 20 5 DDBDRO CC[C@@H]([NH3+])CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000449607082 421037390 /nfs/dbraw/zinc/03/73/90/421037390.db2.gz VTAGDLPLFCTBLY-SNVBAGLBSA-N 1 0 303.322 1.248 20 5 DDBDRO 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C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531883055 303263154 /nfs/dbraw/zinc/26/31/54/303263154.db2.gz WWQKNFXOOYARCJ-TXEJJXNPSA-N 1 0 306.366 1.983 20 5 DDBDRO C[NH+](C)CCOC1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000532393346 303284830 /nfs/dbraw/zinc/28/48/30/303284830.db2.gz JVNLJVZFKPFXFM-UHFFFAOYSA-N 1 0 322.365 1.173 20 5 DDBDRO CC[C@@H](C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000562450079 303863430 /nfs/dbraw/zinc/86/34/30/303863430.db2.gz GWHIGRMNAGMJFQ-XJKSGUPXSA-N 1 0 318.377 1.936 20 5 DDBDRO CCc1ccc(S(=O)(=O)NC(C)(C)CC[NH3+])cc1[N+](=O)[O-] ZINC000563129396 303924478 /nfs/dbraw/zinc/92/44/78/303924478.db2.gz ULZKECRBLSGZME-UHFFFAOYSA-N 1 0 315.395 1.563 20 5 DDBDRO COc1ccc(C[NH2+][C@H]2CCc3c[nH]nc3C2)cc1[N+](=O)[O-] ZINC000363938669 307038199 /nfs/dbraw/zinc/03/81/99/307038199.db2.gz PIERUSWZGFHYBY-LBPRGKRZSA-N 1 0 302.334 1.974 20 5 DDBDRO Nc1ccc(C(=O)N2CCC[C@H]3C[NH2+]CCC[C@H]32)cc1[N+](=O)[O-] ZINC000366448155 307074267 /nfs/dbraw/zinc/07/42/67/307074267.db2.gz MDRXEPYEDUJOLY-GXTWGEPZSA-N 1 0 318.377 1.781 20 5 DDBDRO O=C(NC1CC[NH+](Cc2ccsc2)CC1)[C@H]1C[C@H]1[N+](=O)[O-] ZINC000371664639 307155725 /nfs/dbraw/zinc/15/57/25/307155725.db2.gz WJSVTCAFOVYNQP-QWHCGFSZSA-N 1 0 309.391 1.494 20 5 DDBDRO C[C@@H]1CCC[N@@H+]1C1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000372086654 307162953 /nfs/dbraw/zinc/16/29/53/307162953.db2.gz NQSCZDULLJSWJT-GFCCVEGCSA-N 1 0 321.381 1.267 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000372919156 307176463 /nfs/dbraw/zinc/17/64/63/307176463.db2.gz NSSFQYFKWOVQCU-FZMZJTMJSA-N 1 0 305.334 1.184 20 5 DDBDRO O=[N+]([O-])c1ccccc1N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000374756307 307213558 /nfs/dbraw/zinc/21/35/58/307213558.db2.gz YPYZMFHSARKLHI-UHFFFAOYSA-N 1 0 321.377 1.258 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCC3(CCOCC3)CC2)c1 ZINC000375291570 307220380 /nfs/dbraw/zinc/22/03/80/307220380.db2.gz IBCJWUVFFYTATM-CQSZACIVSA-N 1 0 324.381 1.045 20 5 DDBDRO Cc1n[nH]cc1C1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000375378264 307225135 /nfs/dbraw/zinc/22/51/35/307225135.db2.gz MAEKRDZDPOQSKE-UHFFFAOYSA-N 1 0 304.354 1.702 20 5 DDBDRO O=C1OCC[C@@H]2CCN(C[C@H](O)c3cccc([N+](=O)[O-])c3)[C@@H]12 ZINC000376333328 307242837 /nfs/dbraw/zinc/24/28/37/307242837.db2.gz NHKBPPSQHGHKHU-LEWSCRJBSA-N 1 0 306.318 1.266 20 5 DDBDRO COc1cc(C(=O)N2CC[C@H]3CC[N@H+](C)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000376642884 307251094 /nfs/dbraw/zinc/25/10/94/307251094.db2.gz MLLUEUZLLUSESB-BXUZGUMPSA-N 1 0 319.361 1.770 20 5 DDBDRO COc1cc(C(=O)N2CC[NH2+]C(C)(C)C2)c([N+](=O)[O-])cc1OC ZINC000396105590 307296560 /nfs/dbraw/zinc/29/65/60/307296560.db2.gz NRMFEOISLHWORD-UHFFFAOYSA-N 1 0 323.349 1.436 20 5 DDBDRO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000538820218 307678035 /nfs/dbraw/zinc/67/80/35/307678035.db2.gz ARYJKQASVFYLOR-ZDUSSCGKSA-N 1 0 323.393 1.726 20 5 DDBDRO CC(C)(CCO)C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000566233324 308050666 /nfs/dbraw/zinc/05/06/66/308050666.db2.gz AAHHBGICOUKJOE-CYBMUJFWSA-N 1 0 312.366 1.333 20 5 DDBDRO COc1ccc(CC(=O)N2C[C@H](C[NH3+])C[C@@H]2C)cc1[N+](=O)[O-] ZINC000567669776 308089220 /nfs/dbraw/zinc/08/92/20/308089220.db2.gz LVOKJKNQZVMYRK-JQWIXIFHSA-N 1 0 307.350 1.342 20 5 DDBDRO C/C=C\C[C@H](CO)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000570515883 308171807 /nfs/dbraw/zinc/17/18/07/308171807.db2.gz XKDZOBPCKNROHX-LLGAQUFESA-N 1 0 310.350 1.251 20 5 DDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000577162365 308366807 /nfs/dbraw/zinc/36/68/07/308366807.db2.gz FPMFGXYKTLHLJP-CYBMUJFWSA-N 1 0 321.381 1.264 20 5 DDBDRO CC[NH2+][C@H](C)CNS(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC000577193059 308369880 /nfs/dbraw/zinc/36/98/80/308369880.db2.gz XXPKSLNWCKQFIC-LLVKDONJSA-N 1 0 315.395 1.488 20 5 DDBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H](CO)C1CCOCC1 ZINC000579730086 308554232 /nfs/dbraw/zinc/55/42/32/308554232.db2.gz BRWCGELCZWOJNP-GJZGRUSLSA-N 1 0 306.362 1.959 20 5 DDBDRO CS[C@@H](C)C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000580553738 308613389 /nfs/dbraw/zinc/61/33/89/308613389.db2.gz DRLRJNJBLXXMQG-JQWIXIFHSA-N 1 0 300.380 1.676 20 5 DDBDRO COc1cc(C(=O)N[C@H]2CC[NH2+]CC2(C)C)ccc1[N+](=O)[O-] ZINC000389806403 325777321 /nfs/dbraw/zinc/77/73/21/325777321.db2.gz KCVJOMPWTNUZHQ-ZDUSSCGKSA-N 1 0 307.350 1.721 20 5 DDBDRO COC1(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCC1 ZINC000582177124 325984325 /nfs/dbraw/zinc/98/43/25/325984325.db2.gz BMRHLMCFSRSEOB-ZDUSSCGKSA-N 1 0 310.350 1.493 20 5 DDBDRO CC[N@@H+]1CC[C@H](N(C)c2nccc(C(N)=O)c2[N+](=O)[O-])C[C@@H]1C ZINC000357540310 484510133 /nfs/dbraw/zinc/51/01/33/484510133.db2.gz XBOUCIATZSDQAZ-QWRGUYRKSA-N 1 0 321.381 1.398 20 5 DDBDRO CC1(C)[C@H]([NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H]2CCO[C@H]21 ZINC000296177542 490729051 /nfs/dbraw/zinc/72/90/51/490729051.db2.gz LFUOTXCCEZNVNU-IACUBPJLSA-N 1 0 319.361 1.597 20 5 DDBDRO COC(=O)c1cc(C(=O)N[C@@](C)(C[NH3+])C(C)C)cc([N+](=O)[O-])c1 ZINC000422863462 533741687 /nfs/dbraw/zinc/74/16/87/533741687.db2.gz LNBDRAUXZXWMTB-HNNXBMFYSA-N 1 0 323.349 1.485 20 5 DDBDRO COc1cc(CN2CC[NH+](C[C@@H](C)O)CC2)ccc1[N+](=O)[O-] ZINC000444651919 533811863 /nfs/dbraw/zinc/81/18/63/533811863.db2.gz IGUBAPTUMPDTOU-GFCCVEGCSA-N 1 0 309.366 1.102 20 5 DDBDRO C[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C[NH+](C)C ZINC000292665638 534074864 /nfs/dbraw/zinc/07/48/64/534074864.db2.gz OTJBCUWMAYHKAA-JTQLQIEISA-N 1 0 301.368 1.071 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@]1(C)CCO[C@@H]1C ZINC000494242661 534339664 /nfs/dbraw/zinc/33/96/64/534339664.db2.gz URKWBTMLOYZTHN-IAQYHMDHSA-N 1 0 307.350 1.999 20 5 DDBDRO [NH3+]C1(c2noc(-c3cc4c(c([N+](=O)[O-])c3)OCO4)n2)CCC1 ZINC000414631017 534551074 /nfs/dbraw/zinc/55/10/74/534551074.db2.gz VXXPOLATFZZXOA-UHFFFAOYSA-N 1 0 304.262 1.711 20 5 DDBDRO CC(C)(CC[NH3+])NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000424047302 527029677 /nfs/dbraw/zinc/02/96/77/527029677.db2.gz NUUSVQGONFAMSD-UHFFFAOYSA-N 1 0 317.349 1.638 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000154398166 527313755 /nfs/dbraw/zinc/31/37/55/527313755.db2.gz DWVCBCMWPDXPEA-IUODEOHRSA-N 1 0 318.377 1.855 20 5 DDBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])cnc2N)[C@@H](C)C1 ZINC000330832855 527750718 /nfs/dbraw/zinc/75/07/18/527750718.db2.gz VKJCIBVOVSVOEE-GXFFZTMASA-N 1 0 321.381 1.374 20 5 DDBDRO CC(C)[C@H]1CN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000490294144 527842624 /nfs/dbraw/zinc/84/26/24/527842624.db2.gz ZKUYPJUEFUNPMX-GFCCVEGCSA-N 1 0 308.338 1.108 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC[NH2+]C2)c1 ZINC000422757253 528612097 /nfs/dbraw/zinc/61/20/97/528612097.db2.gz IMFHVTANLUXRSH-NSHDSACASA-N 1 0 307.350 1.723 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000423574628 528694304 /nfs/dbraw/zinc/69/43/04/528694304.db2.gz XHWYSSGKFHMDPJ-GHMZBOCLSA-N 1 0 307.350 1.721 20 5 DDBDRO CC[C@H]1C[N@H+](CC)CCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000451741337 529290313 /nfs/dbraw/zinc/29/03/13/529290313.db2.gz OFSZVRMVGBKRGG-ZDUSSCGKSA-N 1 0 308.382 1.173 20 5 DDBDRO O=[N+]([O-])c1ccccc1OCCN1CC[NH+](CCCCO)CC1 ZINC000746484799 700026938 /nfs/dbraw/zinc/02/69/38/700026938.db2.gz XRFKUQFMUSVHNW-UHFFFAOYSA-N 1 0 323.393 1.364 20 5 DDBDRO C[NH+](C)CC1(NS(=O)(=O)c2csc([N+](=O)[O-])c2)CCC1 ZINC000798470492 700068288 /nfs/dbraw/zinc/06/82/88/700068288.db2.gz DRRHWZHAXDZZIA-UHFFFAOYSA-N 1 0 319.408 1.419 20 5 DDBDRO Cc1cc(C(=O)NC[C@H]2CCC[N@@H+](C)C2)c(N)c([N+](=O)[O-])c1 ZINC000108461808 696633956 /nfs/dbraw/zinc/63/39/56/696633956.db2.gz RPAABVKNVLBBKM-LLVKDONJSA-N 1 0 306.366 1.557 20 5 DDBDRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000113871085 696659509 /nfs/dbraw/zinc/65/95/09/696659509.db2.gz HRUISJUDHCOREA-VXGBXAGGSA-N 1 0 308.294 1.503 20 5 DDBDRO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C[C@@H](C)[NH2+]1 ZINC000153604144 696918933 /nfs/dbraw/zinc/91/89/33/696918933.db2.gz SNSMFSRAOONHDN-RKDXNWHRSA-N 1 0 308.294 1.325 20 5 DDBDRO Cc1c(C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000153869373 696922947 /nfs/dbraw/zinc/92/29/47/696922947.db2.gz XTNBGFJDFHMMHP-IUCAKERBSA-N 1 0 322.321 1.634 20 5 DDBDRO Cc1cnc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)s1 ZINC000983655178 697286827 /nfs/dbraw/zinc/28/68/27/697286827.db2.gz QUZAHHZTNFBGLN-DDHJBXDOSA-N 1 0 324.406 1.101 20 5 DDBDRO [NH3+]C[C@@H]1CCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000178560683 697425873 /nfs/dbraw/zinc/42/58/73/697425873.db2.gz OJLOWTOVRRIAQK-NSHDSACASA-N 1 0 315.333 1.201 20 5 DDBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@H](C)C[NH3+] ZINC000178958002 697431846 /nfs/dbraw/zinc/43/18/46/697431846.db2.gz ZMLHOAWPGFRPAD-MRVPVSSYSA-N 1 0 321.786 1.524 20 5 DDBDRO CN(C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N)c1ccco1 ZINC000195128610 697731559 /nfs/dbraw/zinc/73/15/59/697731559.db2.gz CMTGECZGOXEBTD-ZDUSSCGKSA-N 1 0 318.333 1.803 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C2CCC3(CC2)OCCO3)c1 ZINC000749679963 700176580 /nfs/dbraw/zinc/17/65/80/700176580.db2.gz YJEPEOUXKIZFFD-OAHLLOKOSA-N 1 0 322.361 1.904 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)CN2CC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000776581384 698121247 /nfs/dbraw/zinc/12/12/47/698121247.db2.gz INGBFWKVJNLBTM-CVEARBPZSA-N 1 0 305.378 1.798 20 5 DDBDRO COC(=O)CC[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000776583148 698121701 /nfs/dbraw/zinc/12/17/01/698121701.db2.gz XYCMXGUKXMHAOC-AWEZNQCLSA-N 1 0 310.350 1.902 20 5 DDBDRO COCCO[C@@H]1CCC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776594003 698124317 /nfs/dbraw/zinc/12/43/17/698124317.db2.gz QQMCHLJJVMRAAH-HZPDHXFCSA-N 1 0 324.377 1.756 20 5 DDBDRO C[C@H](O)C[N@@H+]1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000800374539 700219012 /nfs/dbraw/zinc/21/90/12/700219012.db2.gz RTVUHMXMGJIIPE-HEHGZKQESA-N 1 0 323.393 1.015 20 5 DDBDRO O=C(CC[N@H+]1C[C@H]2C[C@@]2(CO)C1)Nc1ccccc1[N+](=O)[O-] ZINC000782620084 698752302 /nfs/dbraw/zinc/75/23/02/698752302.db2.gz KLYFJVCRADUSST-ABAIWWIYSA-N 1 0 305.334 1.238 20 5 DDBDRO COC[C@@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000783239619 698823407 /nfs/dbraw/zinc/82/34/07/698823407.db2.gz LJWQGLGAHFQAHY-HZPDHXFCSA-N 1 0 324.377 1.659 20 5 DDBDRO C[C@H](O)C[NH+]1CCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000783559193 698852412 /nfs/dbraw/zinc/85/24/12/698852412.db2.gz KIVSIHGMVCJOCU-NSHDSACASA-N 1 0 313.785 1.747 20 5 DDBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCS(=O)(=O)C2)cc1Cl ZINC000783598415 698855322 /nfs/dbraw/zinc/85/53/22/698855322.db2.gz ROECRMYULBMFNL-JTQLQIEISA-N 1 0 318.782 1.773 20 5 DDBDRO C[NH+](C)CCNC(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000385395235 699074909 /nfs/dbraw/zinc/07/49/09/699074909.db2.gz JDDNWRVXVAFTMF-UHFFFAOYSA-N 1 0 317.143 1.044 20 5 DDBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]CCC2CS(=O)(=O)C2)c1 ZINC000786824107 699171980 /nfs/dbraw/zinc/17/19/80/699171980.db2.gz IQZMTFXHVXJPHK-UHFFFAOYSA-N 1 0 318.782 1.773 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCC2(C[NH+](C)C2)C1 ZINC000791251509 699617428 /nfs/dbraw/zinc/61/74/28/699617428.db2.gz ZKIBZZMDNVJTFW-UHFFFAOYSA-N 1 0 318.377 1.439 20 5 DDBDRO C[N@@H+]1CC[C@]2(CCN(Cn3ncc4cc([N+](=O)[O-])ccc43)C2)C1 ZINC000793769381 699778156 /nfs/dbraw/zinc/77/81/56/699778156.db2.gz UQYIOSDELHWCJZ-INIZCTEOSA-N 1 0 315.377 1.930 20 5 DDBDRO CCC(=O)c1ccc(N2CCN(CCO)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000795144633 699848765 /nfs/dbraw/zinc/84/87/65/699848765.db2.gz PYMOXOGHHXASRH-LBPRGKRZSA-N 1 0 321.377 1.690 20 5 DDBDRO Cc1cc(C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)c(N)c([N+](=O)[O-])c1 ZINC000743637067 699921025 /nfs/dbraw/zinc/92/10/25/699921025.db2.gz KXAUUXFULZNAOE-MNOVXSKESA-N 1 0 306.366 1.698 20 5 DDBDRO Cc1ccc([C@H](C)NC(=S)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000751914378 700325601 /nfs/dbraw/zinc/32/56/01/700325601.db2.gz MHQKSUMJGXCWKL-NSHDSACASA-N 1 0 310.423 1.990 20 5 DDBDRO CN(C(=O)c1cc([N+](=O)[O-])c(F)cc1N)[C@H]1C[NH+]2CCC1CC2 ZINC000801891404 700351071 /nfs/dbraw/zinc/35/10/71/700351071.db2.gz YETBZZDKNAVVSN-AWEZNQCLSA-N 1 0 322.340 1.482 20 5 DDBDRO C[C@H]1CC[N@H+](CCNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000801914238 700353095 /nfs/dbraw/zinc/35/30/95/700353095.db2.gz UVKVENPCZWWDKD-VIFPVBQESA-N 1 0 310.329 1.388 20 5 DDBDRO CCOc1cccc(N2CC[NH+](CCCCO)CC2)c1[N+](=O)[O-] ZINC000762802363 700907592 /nfs/dbraw/zinc/90/75/92/700907592.db2.gz ZSYKVQPNRRIALJ-UHFFFAOYSA-N 1 0 323.393 1.888 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@@H](CCO)C2CC2)c1 ZINC000771801354 701331332 /nfs/dbraw/zinc/33/13/32/701331332.db2.gz RUFSCFLRDGRNKN-ZFWWWQNUSA-N 1 0 310.350 1.085 20 5 DDBDRO Cc1ccccc1[C@@H]([C@H](C)NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[NH+](C)C ZINC000839761221 701814564 /nfs/dbraw/zinc/81/45/64/701814564.db2.gz LYPMYJQNMIXRSA-ZGKBOVNRSA-N 1 0 305.378 1.768 20 5 DDBDRO Cc1ccc(CNC(=O)N[C@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000868366318 702089728 /nfs/dbraw/zinc/08/97/28/702089728.db2.gz PSDWMCDHNRBYRK-ZDUSSCGKSA-N 1 0 318.377 1.939 20 5 DDBDRO CO[C@@H]1CC[C@H](C)[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000879318738 706648180 /nfs/dbraw/zinc/64/81/80/706648180.db2.gz ZXQJKCVZBWBBBP-JGGQBBKZSA-N 1 0 324.377 1.834 20 5 DDBDRO O=C(NC[C@@H]1C[NH2+]CCO1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000841011730 702309877 /nfs/dbraw/zinc/30/98/77/702309877.db2.gz SWFGMPHPEVKNIN-VIFPVBQESA-N 1 0 314.729 1.358 20 5 DDBDRO CCS(=O)(=O)CC[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866257345 706659149 /nfs/dbraw/zinc/65/91/49/706659149.db2.gz YJLYZGXGFWLJKQ-SNVBAGLBSA-N 1 0 318.370 1.689 20 5 DDBDRO [NH3+][C@@H](CC(F)F)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000831217767 706660170 /nfs/dbraw/zinc/66/01/70/706660170.db2.gz JZMRBXODRVRBGL-VIFPVBQESA-N 1 0 307.684 1.847 20 5 DDBDRO CN(C[C@H]1CCC[N@@H+]1C)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000817377190 702363661 /nfs/dbraw/zinc/36/36/61/702363661.db2.gz IXJUWDHISPJXKR-CQSZACIVSA-N 1 0 303.366 1.928 20 5 DDBDRO C[C@H](C[NH3+])NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000841162668 702372109 /nfs/dbraw/zinc/37/21/09/702372109.db2.gz ZYKVUADMTIIMFN-ZCFIWIBFSA-N 1 0 317.143 1.826 20 5 DDBDRO C[NH+](C)C1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000817659379 702438710 /nfs/dbraw/zinc/43/87/10/702438710.db2.gz STIGWOPDPNQMRG-UHFFFAOYSA-N 1 0 306.366 1.780 20 5 DDBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N1CCC2(C1)CC[NH2+]CC2 ZINC000841750671 702557104 /nfs/dbraw/zinc/55/71/04/702557104.db2.gz ZTBRCJOBBFHNOK-UHFFFAOYSA-N 1 0 318.377 1.880 20 5 DDBDRO O=C(O[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000842334521 702705257 /nfs/dbraw/zinc/70/52/57/702705257.db2.gz YEYJABGMGGAVLZ-RBSFLKMASA-N 1 0 304.346 1.859 20 5 DDBDRO C[NH2+]C[C@@H](C)c1noc(-c2cc([N+](=O)[O-])cc3c2OCCO3)n1 ZINC000842584075 702736568 /nfs/dbraw/zinc/73/65/68/702736568.db2.gz ZKGDNPLTJJGPLD-MRVPVSSYSA-N 1 0 320.305 1.739 20 5 DDBDRO Cc1ccc(OS(=O)(=O)CC2([NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000866426792 706696108 /nfs/dbraw/zinc/69/61/08/706696108.db2.gz HPQKDFYPGQXKOW-UHFFFAOYSA-N 1 0 314.363 1.706 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@H](O)C2CCOCC2)c1 ZINC000843083989 702815670 /nfs/dbraw/zinc/81/56/70/702815670.db2.gz TXTMEMZKJWMKMU-GJZGRUSLSA-N 1 0 310.350 1.005 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@H]2CCCCN2CCO)c1 ZINC000843092755 702817612 /nfs/dbraw/zinc/81/76/12/702817612.db2.gz KSVAURCNLAHBQQ-CVEARBPZSA-N 1 0 323.393 1.065 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@@H]2CCCC(F)(F)[C@H]2O)cc1 ZINC000843114514 702821902 /nfs/dbraw/zinc/82/19/02/702821902.db2.gz HLLVJYRTBIIANC-AGIUHOORSA-N 1 0 316.304 1.767 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H](CO)[C@H]2CCCOC2)c1 ZINC000843116588 702822176 /nfs/dbraw/zinc/82/21/76/702822176.db2.gz QQRCWLNEORGCPR-AEGPPILISA-N 1 0 310.350 1.005 20 5 DDBDRO O=[N+]([O-])c1ccc2[nH]nc(-c3nc(C4CC[NH2+]CC4)no3)c2c1 ZINC000843137974 702827015 /nfs/dbraw/zinc/82/70/15/702827015.db2.gz KPSJONSKXQDNKM-UHFFFAOYSA-N 1 0 314.305 1.988 20 5 DDBDRO Cc1nc([N+](=O)[O-])c(-c2noc(-c3ccc(C[NH3+])o3)n2)n1C ZINC000843222177 702844909 /nfs/dbraw/zinc/84/49/09/702844909.db2.gz OZAFBAPLNHPNHC-UHFFFAOYSA-N 1 0 304.266 1.405 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1-c1noc(CCC2CC[NH2+]CC2)n1 ZINC000843222441 702844990 /nfs/dbraw/zinc/84/49/90/702844990.db2.gz IFEZEKDLKKOKCD-UHFFFAOYSA-N 1 0 306.326 1.311 20 5 DDBDRO C[C@@H](Cc1nc(-c2c([N+](=O)[O-])ncn2C)no1)[C@H]1CCC[NH2+]C1 ZINC000843223605 702845467 /nfs/dbraw/zinc/84/54/67/702845467.db2.gz SHHRJXPNGRLIQS-UWVGGRQHSA-N 1 0 320.353 1.557 20 5 DDBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000843371320 702868440 /nfs/dbraw/zinc/86/84/40/702868440.db2.gz KVAUYQCRCZAMDH-WQHBLYJGSA-N 1 0 309.753 1.957 20 5 DDBDRO CCCN(C(=O)c1cc([N+](=O)[O-])c(F)cc1N)[C@@H]1CC[N@H+](C)C1 ZINC000843990991 702949790 /nfs/dbraw/zinc/94/97/90/702949790.db2.gz ZWOWRWHRKYCSDY-SNVBAGLBSA-N 1 0 324.356 1.872 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(CCOc3ccccc3[N+](=O)[O-])CC[C@H]21 ZINC000879571286 706722072 /nfs/dbraw/zinc/72/20/72/706722072.db2.gz OSLBIFPAFTZLEK-ZIAGYGMSSA-N 1 0 305.378 2.000 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CC[C@@H]([NH3+])C[C@H]2C)cc1[N+](=O)[O-] ZINC000846744190 703326091 /nfs/dbraw/zinc/32/60/91/703326091.db2.gz XVQOIARMYQWUBB-LDYMZIIASA-N 1 0 322.321 1.763 20 5 DDBDRO CN(CC[NH+](C)C)C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000848586692 703566028 /nfs/dbraw/zinc/56/60/28/703566028.db2.gz BWMKTJNECHFFDF-UHFFFAOYSA-N 1 0 317.292 1.586 20 5 DDBDRO CNc1nccc(C(=O)OCC[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000848789903 703589760 /nfs/dbraw/zinc/58/97/60/703589760.db2.gz ISMLQVPITSTENN-UHFFFAOYSA-N 1 0 308.338 1.674 20 5 DDBDRO CC1(C)OC[C@@H](CC[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)O1 ZINC000851908567 703881709 /nfs/dbraw/zinc/88/17/09/703881709.db2.gz OTZHDCJVSTYLRS-CYBMUJFWSA-N 1 0 307.350 1.890 20 5 DDBDRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000818564234 703926940 /nfs/dbraw/zinc/92/69/40/703926940.db2.gz YHECSAOEUUFXTE-DTWKUNHWSA-N 1 0 308.294 1.312 20 5 DDBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)C[C@@H]1CSCC[NH2+]1)CC2 ZINC000818608334 703938889 /nfs/dbraw/zinc/93/88/89/703938889.db2.gz AAUNXFISDSSUGZ-GFCCVEGCSA-N 1 0 321.402 1.887 20 5 DDBDRO O=C(NCC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000818947955 704031992 /nfs/dbraw/zinc/03/19/92/704031992.db2.gz LUHSFXAOFXCTFQ-CYBMUJFWSA-N 1 0 319.317 1.241 20 5 DDBDRO O=C(CCC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)NC1CC1 ZINC000818961051 704035514 /nfs/dbraw/zinc/03/55/14/704035514.db2.gz LCAKIAYXPHEPEI-AWEZNQCLSA-N 1 0 307.350 1.277 20 5 DDBDRO CC(C)(C)[S@](=O)CC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819057011 704062046 /nfs/dbraw/zinc/06/20/46/704062046.db2.gz RHPMPASFLWGNLI-LRTDBIEQSA-N 1 0 314.407 1.765 20 5 DDBDRO CC(C)(C)N1C[C@@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000819126070 704072894 /nfs/dbraw/zinc/07/28/94/704072894.db2.gz IAQNRBCJLKSHPQ-JSGCOSHPSA-N 1 0 321.377 1.617 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H]2CCc3c[nH]nc3C2)cc1 ZINC000819154241 704077652 /nfs/dbraw/zinc/07/76/52/704077652.db2.gz GCTPNVCFSNXMEI-SWLSCSKDSA-N 1 0 302.334 1.498 20 5 DDBDRO CC(C)OC(=O)CCC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819233868 704091521 /nfs/dbraw/zinc/09/15/21/704091521.db2.gz CURPJNWWGYVCED-AWEZNQCLSA-N 1 0 310.350 1.950 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C[C@H]1CCC=CO1 ZINC000819246700 704094455 /nfs/dbraw/zinc/09/44/55/704094455.db2.gz OYPRVTNZXDOLSC-QWHCGFSZSA-N 1 0 308.334 1.617 20 5 DDBDRO CO[C@@H]1COCC[C@@H]1C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819345161 704111080 /nfs/dbraw/zinc/11/10/80/704111080.db2.gz XGMREHDZOFPXHD-BPLDGKMQSA-N 1 0 310.350 1.269 20 5 DDBDRO CN(CC(=O)NC1CC([NH+](C)C)C1)c1ccccc1[N+](=O)[O-] ZINC000819681602 704158076 /nfs/dbraw/zinc/15/80/76/704158076.db2.gz ZVJYVZQERPHAJZ-UHFFFAOYSA-N 1 0 306.366 1.240 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N(C)CC(C)(C)[NH3+])cc1[N+](=O)[O-] ZINC000852898028 704166079 /nfs/dbraw/zinc/16/60/79/704166079.db2.gz HTZSQURUHPKKTF-UHFFFAOYSA-N 1 0 310.310 1.621 20 5 DDBDRO C[N@@H+]1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)CCC1(C)C ZINC000871151220 704231308 /nfs/dbraw/zinc/23/13/08/704231308.db2.gz YWZZXGJTSJUNBK-UHFFFAOYSA-N 1 0 321.377 1.916 20 5 DDBDRO CO[C@@H](C)CN(C)Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853513386 704255634 /nfs/dbraw/zinc/25/56/34/704255634.db2.gz ZFMHMJVKGIFFOX-NSHDSACASA-N 1 0 305.338 1.778 20 5 DDBDRO Cc1nn(C[N@@H+]2CC[C@H]3COC[C@H]3C2)c2ncc([N+](=O)[O-])cc12 ZINC000853587164 704276795 /nfs/dbraw/zinc/27/67/95/704276795.db2.gz FZHUKHOJHPWXHH-NWDGAFQWSA-N 1 0 317.349 1.574 20 5 DDBDRO CC(=O)N1C[C@@H]2C[N@@H+](Cc3cc(F)ccc3[N+](=O)[O-])C[C@@H]2C1 ZINC000821328838 704391815 /nfs/dbraw/zinc/39/18/15/704391815.db2.gz QBNURPYKKQVFIP-BETUJISGSA-N 1 0 307.325 1.644 20 5 DDBDRO C/C(=C\C(=O)N[C@H](CO)C[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000854464401 704401763 /nfs/dbraw/zinc/40/17/63/704401763.db2.gz KCWPVELHLYUVIX-YKWSONSWSA-N 1 0 307.350 1.037 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CC(C[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000854721641 704444111 /nfs/dbraw/zinc/44/41/11/704444111.db2.gz ICSWSFMPVDVENR-UHFFFAOYSA-N 1 0 322.321 1.445 20 5 DDBDRO CCC[N@@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000856073448 704512297 /nfs/dbraw/zinc/51/22/97/704512297.db2.gz QACKRPOGOBSDBN-VIFPVBQESA-N 1 0 310.329 1.530 20 5 DDBDRO C[C@@H]([NH3+])[C@H](C)NC(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857766721 704622439 /nfs/dbraw/zinc/62/24/39/704622439.db2.gz VPIBMWWKKCINPF-SFYZADRCSA-N 1 0 303.265 1.418 20 5 DDBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N(C)C[C@H](C)[NH3+] ZINC000858642258 704738836 /nfs/dbraw/zinc/73/88/36/704738836.db2.gz JJXRZICEWQEHTD-QMMMGPOBSA-N 1 0 321.786 1.524 20 5 DDBDRO CO[C@@H](C[NH3+])Cc1nc(CCNc2ccccc2[N+](=O)[O-])no1 ZINC000822791393 705040863 /nfs/dbraw/zinc/04/08/63/705040863.db2.gz SFNMXTSPXHZCNE-SNVBAGLBSA-N 1 0 321.337 1.149 20 5 DDBDRO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H]3CC[C@@H](O)[C@@H]32)c([N+](=O)[O-])c1 ZINC000860132177 705110182 /nfs/dbraw/zinc/11/01/82/705110182.db2.gz WKTOVTAAUPWIMY-CUOATXAZSA-N 1 0 307.306 1.848 20 5 DDBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)C[C@@](C)(O)c1ccccc1 ZINC000823591362 705274920 /nfs/dbraw/zinc/27/49/20/705274920.db2.gz KCFFYQAMIVCNTG-OAHLLOKOSA-N 1 0 304.350 1.631 20 5 DDBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000823970662 705347871 /nfs/dbraw/zinc/34/78/71/705347871.db2.gz GTSFGJNGYMAYJE-UONOGXRCSA-N 1 0 307.350 1.229 20 5 DDBDRO C[NH+](C)C[C@@H](CO)NC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000861719175 705550522 /nfs/dbraw/zinc/55/05/22/705550522.db2.gz XWIIEZCOZSXPNV-LBPRGKRZSA-N 1 0 317.345 1.400 20 5 DDBDRO O=C([C@@H](O)c1cccc([N+](=O)[O-])c1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000825615257 705703556 /nfs/dbraw/zinc/70/35/56/705703556.db2.gz ORRXPRDLMPYAJL-CABCVRRESA-N 1 0 319.361 1.325 20 5 DDBDRO C[NH+](C)C[C@@H]1CCCCN1C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825699421 705717601 /nfs/dbraw/zinc/71/76/01/705717601.db2.gz BGBALPRMKRPKPP-LSDHHAIUSA-N 1 0 321.377 1.571 20 5 DDBDRO CC(C)C[C@@H](CNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000825888496 705742120 /nfs/dbraw/zinc/74/21/20/705742120.db2.gz WNQSYCGVKOSNBB-LSDHHAIUSA-N 1 0 323.393 1.721 20 5 DDBDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825970058 705752731 /nfs/dbraw/zinc/75/27/31/705752731.db2.gz USNJYLOMLVRRAR-IUODEOHRSA-N 1 0 321.377 1.428 20 5 DDBDRO [NH3+][C@@H]1CC=C(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000876550932 705754259 /nfs/dbraw/zinc/75/42/59/705754259.db2.gz IDQQZGZYXXMWAS-CYBMUJFWSA-N 1 0 316.361 1.291 20 5 DDBDRO C[N@@H+]1CCCC[C@H](CNC(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000862793703 705799681 /nfs/dbraw/zinc/79/96/81/705799681.db2.gz SKXUIDPQOBDMQZ-SNVBAGLBSA-N 1 0 307.354 1.034 20 5 DDBDRO CC(C)(NC(=O)[C@H](F)[C@H]1CC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000876696240 705823741 /nfs/dbraw/zinc/82/37/41/705823741.db2.gz RAVWBIVPARGOKB-GXFFZTMASA-N 1 0 309.341 1.894 20 5 DDBDRO C[C@H]1CC[N@H+](CCNC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000826722479 705857786 /nfs/dbraw/zinc/85/77/86/705857786.db2.gz QVTVHFREGAESHG-FZMZJTMJSA-N 1 0 307.350 1.086 20 5 DDBDRO CC(C)(C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)N1CCOCC1 ZINC000876891937 705911554 /nfs/dbraw/zinc/91/15/54/705911554.db2.gz HSTRRVBHBVDTDE-UHFFFAOYSA-N 1 0 323.397 1.195 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000827297890 705970508 /nfs/dbraw/zinc/97/05/08/705970508.db2.gz HNVKQNOYTMYAAQ-MNOVXSKESA-N 1 0 321.381 1.608 20 5 DDBDRO Cc1cc(C(=O)N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)c(N)c([N+](=O)[O-])c1 ZINC000827312338 705973310 /nfs/dbraw/zinc/97/33/10/705973310.db2.gz UNMORWJSMQSIBG-DGCLKSJQSA-N 1 0 318.377 1.652 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000827358355 705984785 /nfs/dbraw/zinc/98/47/85/705984785.db2.gz XRYPVLAMQDANTA-SMDDNHRTSA-N 1 0 304.350 1.464 20 5 DDBDRO C[C@H]1C[C@@H]([NH3+])CN1C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000877172320 706006005 /nfs/dbraw/zinc/00/60/05/706006005.db2.gz QHYKZRIXKAKPQK-IONNQARKSA-N 1 0 315.732 1.878 20 5 DDBDRO C[NH2+]C1(CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CCC1 ZINC000863922788 706038718 /nfs/dbraw/zinc/03/87/18/706038718.db2.gz DJHUKZDKAPIUQZ-UHFFFAOYSA-N 1 0 308.294 1.375 20 5 DDBDRO Cn1c(C(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000877370581 706083878 /nfs/dbraw/zinc/08/38/78/706083878.db2.gz WNJKMZMQEQLDIR-SFYZADRCSA-N 1 0 320.271 1.143 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000877372485 706084545 /nfs/dbraw/zinc/08/45/45/706084545.db2.gz AULGWBHRVHPBMN-BLLLJJGKSA-N 1 0 303.362 1.893 20 5 DDBDRO COc1cc(C(=O)N[C@]23CCC[C@H]2[NH2+]CC3)cc([N+](=O)[O-])c1C ZINC000877388901 706091671 /nfs/dbraw/zinc/09/16/71/706091671.db2.gz HHMLNGJKRSJVOW-ZBFHGGJFSA-N 1 0 319.361 1.926 20 5 DDBDRO O=[N+]([O-])c1c(N[C@H](CO)C[NH+]2CCCCC2)nc2ccccn21 ZINC000828162417 706130574 /nfs/dbraw/zinc/13/05/74/706130574.db2.gz CCRDHPGUHKJZNE-LBPRGKRZSA-N 1 0 319.365 1.501 20 5 DDBDRO CC(C)(CN(CC[NH3+])c1ccc([N+](=O)[O-])cc1)N1CCOCC1 ZINC000877521702 706131055 /nfs/dbraw/zinc/13/10/55/706131055.db2.gz AFQNBTUBIMNMKZ-UHFFFAOYSA-N 1 0 322.409 1.471 20 5 DDBDRO COC(=O)CN1CCC([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000877729880 706192167 /nfs/dbraw/zinc/19/21/67/706192167.db2.gz DTJGVHVBYWEKSY-UHFFFAOYSA-N 1 0 321.377 1.630 20 5 DDBDRO C[C@H]([NH3+])CN(C)C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000864617039 706214540 /nfs/dbraw/zinc/21/45/40/706214540.db2.gz PGPQOQPTFYCFTM-QMMMGPOBSA-N 1 0 303.265 1.372 20 5 DDBDRO C[NH+](C)CCCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000877950726 706249435 /nfs/dbraw/zinc/24/94/35/706249435.db2.gz JZAHEVDVXHAJQO-UHFFFAOYSA-N 1 0 323.349 1.438 20 5 DDBDRO CC(=O)N1C[C@@H]2C[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC000880309910 706937096 /nfs/dbraw/zinc/93/70/96/706937096.db2.gz LTJQMAWATPNLNR-OKILXGFUSA-N 1 0 319.361 1.384 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@@H]1CCOC[C@@H]1OC ZINC000880436984 706975718 /nfs/dbraw/zinc/97/57/18/706975718.db2.gz DWCBGRPFGQCERA-HIFRSBDPSA-N 1 0 310.350 1.839 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]Cc2ccnc(F)c2)c1 ZINC000872223591 707336324 /nfs/dbraw/zinc/33/63/24/707336324.db2.gz UMBQYCBRTZEDCI-ZDUSSCGKSA-N 1 0 321.308 1.658 20 5 DDBDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000837187648 707593583 /nfs/dbraw/zinc/59/35/83/707593583.db2.gz AWXNEKKIGZBJAS-CABCVRRESA-N 1 0 321.377 1.569 20 5 DDBDRO Cn1cc([N+](=O)[O-])c(C(=O)N2CCC(C)([NH+]3CCC3)CC2)n1 ZINC000882508186 707672425 /nfs/dbraw/zinc/67/24/25/707672425.db2.gz WNPSTOJKVHYAMW-UHFFFAOYSA-N 1 0 307.354 1.029 20 5 DDBDRO COc1ccc(CNC(=O)[C@H]2C[NH2+]CC2(C)C)cc1[N+](=O)[O-] ZINC000884099614 708138081 /nfs/dbraw/zinc/13/80/81/708138081.db2.gz UGXYAQCOAHAMRV-LLVKDONJSA-N 1 0 307.350 1.465 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000884099056 708138200 /nfs/dbraw/zinc/13/82/00/708138200.db2.gz CPHDTJAZHFSLGT-LBPRGKRZSA-N 1 0 307.350 1.465 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCCO[C@@H](C[NH3+])C2)c1C ZINC000884341867 708254207 /nfs/dbraw/zinc/25/42/07/708254207.db2.gz KPFWSMUHMGMEAS-LBPRGKRZSA-N 1 0 307.350 1.401 20 5 DDBDRO COc1cc(C[NH2+]CC[C@@H](O)C2CC2)c([N+](=O)[O-])cc1OC ZINC000898206129 708572541 /nfs/dbraw/zinc/57/25/41/708572541.db2.gz LWOXHKLADHINFP-CYBMUJFWSA-N 1 0 310.350 1.863 20 5 DDBDRO O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000885855390 708640280 /nfs/dbraw/zinc/64/02/80/708640280.db2.gz PWCJXTYBNKSKCW-OAHLLOKOSA-N 1 0 319.361 1.578 20 5 DDBDRO O=[N+]([O-])c1ncccc1CN1CCC(C[NH+]2CCOCC2)CC1 ZINC000885958920 708671376 /nfs/dbraw/zinc/67/13/76/708671376.db2.gz OTSCMBLXUWFUGK-UHFFFAOYSA-N 1 0 320.393 1.534 20 5 DDBDRO COC(=O)[C@]12C[N@H+](Cc3cccnc3[N+](=O)[O-])C[C@H]1COCC2 ZINC000886184217 708711577 /nfs/dbraw/zinc/71/15/77/708711577.db2.gz WPWQHORYQKWNJU-SWLSCSKDSA-N 1 0 321.333 1.001 20 5 DDBDRO C[NH+]1CCC2(CC1)CN(Cc1cccnc1[N+](=O)[O-])CCO2 ZINC000886265660 708732453 /nfs/dbraw/zinc/73/24/53/708732453.db2.gz ODMHANAZZQUZGZ-UHFFFAOYSA-N 1 0 306.366 1.286 20 5 DDBDRO COC(=O)[C@@H]1CC[C@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000886547421 708776208 /nfs/dbraw/zinc/77/62/08/708776208.db2.gz LBXULYKNZQATSE-NEPJUHHUSA-N 1 0 308.334 1.905 20 5 DDBDRO C[C@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000912651654 713060780 /nfs/dbraw/zinc/06/07/80/713060780.db2.gz XQYLJZKSJJCBME-QWRGUYRKSA-N 1 0 309.370 1.653 20 5 DDBDRO CCN(CC(=O)Nc1c(C)cccc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000886858180 708867173 /nfs/dbraw/zinc/86/71/73/708867173.db2.gz QAMHSPKMXLBINM-GFCCVEGCSA-N 1 0 306.366 1.526 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@@H](O)COCC2CC2)cc1 ZINC000912762130 713087715 /nfs/dbraw/zinc/08/77/15/713087715.db2.gz BXZDZTZDDGGZSK-CABCVRRESA-N 1 0 310.350 1.005 20 5 DDBDRO Cn1cc([N+](=O)[O-])c(C(=O)N2CCC([NH2+]C3CCC3)CC2)n1 ZINC000889829246 709650951 /nfs/dbraw/zinc/65/09/51/709650951.db2.gz LNYMNWGBZRPDIS-UHFFFAOYSA-N 1 0 307.354 1.075 20 5 DDBDRO O=C(COc1ccccc1[N+](=O)[O-])N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912929376 713127071 /nfs/dbraw/zinc/12/70/71/713127071.db2.gz YJPZXCWBACZXSZ-GFCCVEGCSA-N 1 0 305.334 1.280 20 5 DDBDRO CC[N@@H+]1CCCN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000910269081 709853536 /nfs/dbraw/zinc/85/35/36/709853536.db2.gz DSOGJLVYQBLFKU-WFASDCNBSA-N 1 0 321.377 1.571 20 5 DDBDRO COc1c(O)ccc(CN2CC[C@@H]([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000891864493 710312902 /nfs/dbraw/zinc/31/29/02/710312902.db2.gz REOAMDMRKSSMHC-CYBMUJFWSA-N 1 0 321.377 1.979 20 5 DDBDRO CS[C@H]1CN(c2c([N+](=O)[O-])cnn2C)C[C@H]1[NH+]1CCCC1 ZINC000893248864 710579509 /nfs/dbraw/zinc/57/95/09/710579509.db2.gz PYHLFTOZPVHTEE-NEPJUHHUSA-N 1 0 311.411 1.344 20 5 DDBDRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000893266691 710583124 /nfs/dbraw/zinc/58/31/24/710583124.db2.gz SQKMOQGANXGWNB-ZFWWWQNUSA-N 1 0 318.377 1.483 20 5 DDBDRO COc1cc(OCC(=O)N[C@H]2CC[N@H+](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000928442801 713197778 /nfs/dbraw/zinc/19/77/78/713197778.db2.gz CFFOFIPZLTVHGL-JQWIXIFHSA-N 1 0 323.349 1.191 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1N1CC([N@H+](C)Cc2ccccc2)C1 ZINC000893827032 710845460 /nfs/dbraw/zinc/84/54/60/710845460.db2.gz GUTXKGRRCYAIAF-UHFFFAOYSA-N 1 0 301.350 1.649 20 5 DDBDRO C[C@@H](NC(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1)c1ccccc1[N+](=O)[O-] ZINC000894016736 710929175 /nfs/dbraw/zinc/92/91/75/710929175.db2.gz VJJCUPAFSPLQEB-UPJWGTAASA-N 1 0 318.377 1.859 20 5 DDBDRO C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C[C@H](C)[NH2+]1 ZINC000911799172 710998149 /nfs/dbraw/zinc/99/81/49/710998149.db2.gz FXWIXTQUJHXBHL-BAESOJJISA-N 1 0 303.362 1.907 20 5 DDBDRO COc1cc([C@H](C)[NH2+][C@H](C)[C@@H]2CN(C)CCO2)cc([N+](=O)[O-])c1 ZINC000903125517 711040717 /nfs/dbraw/zinc/04/07/17/711040717.db2.gz MTGSMMQRYZPQPD-OZVIIMIRSA-N 1 0 323.393 1.973 20 5 DDBDRO COc1cc([C@H](C)[NH2+]C[C@@]2(O)CCO[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000903160218 711051383 /nfs/dbraw/zinc/05/13/83/711051383.db2.gz VHPRNXRANOVTIK-RWSFTLGLSA-N 1 0 310.350 1.794 20 5 DDBDRO COc1cc([C@H](C)[NH2+]CC[C@@H]2CNC(=O)C2)cc([N+](=O)[O-])c1 ZINC000903225994 711072351 /nfs/dbraw/zinc/07/23/51/711072351.db2.gz JFQANZLQYLSCJE-QWRGUYRKSA-N 1 0 307.350 1.780 20 5 DDBDRO C[C@H]([NH2+]CCCc1nnnn1C)c1c(F)cccc1[N+](=O)[O-] ZINC000903350938 711100367 /nfs/dbraw/zinc/10/03/67/711100367.db2.gz GALXTTDVUHOFPG-VIFPVBQESA-N 1 0 308.317 1.541 20 5 DDBDRO COc1ccc(CN2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000903518870 711164561 /nfs/dbraw/zinc/16/45/61/711164561.db2.gz ZDKWVAVEGQJWGH-NXEZZACHSA-N 1 0 319.283 1.925 20 5 DDBDRO C[NH2+]CCN(CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C(C)C ZINC000903572369 711202522 /nfs/dbraw/zinc/20/25/22/711202522.db2.gz MIKGVWAMVNNDHU-UHFFFAOYSA-N 1 0 320.393 1.414 20 5 DDBDRO CCC[C@@H]1CN(c2ccc(CC(=O)OC)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000895057588 711390828 /nfs/dbraw/zinc/39/08/28/711390828.db2.gz GKESAMGQORDGFW-CYBMUJFWSA-N 1 0 321.377 1.889 20 5 DDBDRO Cc1cc(C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCN2C)ccc1[N+](=O)[O-] ZINC000896579334 711757786 /nfs/dbraw/zinc/75/77/86/711757786.db2.gz FQBXIXPPYJPYNC-WFASDCNBSA-N 1 0 320.393 1.267 20 5 DDBDRO COc1ccc(NC(=O)N2CCC[C@]23CC[NH2+]C3)cc1[N+](=O)[O-] ZINC000904412058 711854829 /nfs/dbraw/zinc/85/48/29/711854829.db2.gz OYVQWMJYHJTFSO-OAHLLOKOSA-N 1 0 320.349 1.963 20 5 DDBDRO COc1ccccc1CC(=O)N1CCC([NH2+]CC[N+](=O)[O-])CC1 ZINC000905083552 711930714 /nfs/dbraw/zinc/93/07/14/711930714.db2.gz WHNHAIXMJQMKEW-UHFFFAOYSA-N 1 0 321.377 1.095 20 5 DDBDRO C[NH+]1CCC(NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000917392510 713496170 /nfs/dbraw/zinc/49/61/70/713496170.db2.gz DDEXGJQRSKSCBM-UHFFFAOYSA-N 1 0 317.349 1.155 20 5 DDBDRO CON1CC[C@H]([N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1=O ZINC000930636367 713883652 /nfs/dbraw/zinc/88/36/52/713883652.db2.gz GAKYIBRVBFDQKW-ZFWWWQNUSA-N 1 0 319.361 1.937 20 5 DDBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000931043708 713989336 /nfs/dbraw/zinc/98/93/36/713989336.db2.gz RMDLRZCPRIZZNO-IVMMDQJWSA-N 1 0 323.393 1.359 20 5 DDBDRO COC1(OC)CC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C[C@@H]1O ZINC000931640968 714147073 /nfs/dbraw/zinc/14/70/73/714147073.db2.gz UBUBFYYPTRPYKJ-AWEZNQCLSA-N 1 0 310.350 1.459 20 5 DDBDRO COC(=O)C[C@@H]1C[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000932104363 714259511 /nfs/dbraw/zinc/25/95/11/714259511.db2.gz FIOUHMBSJVCHDD-KYOSRNDESA-N 1 0 322.361 1.759 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000923332690 714318148 /nfs/dbraw/zinc/31/81/48/714318148.db2.gz MCTBJKBPKNDNIE-HOCLYGCPSA-N 1 0 321.377 1.020 20 5 DDBDRO COC(C)(C)[C@@H](C)[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000932369936 714318816 /nfs/dbraw/zinc/31/88/16/714318816.db2.gz GXPRTPUHNCAJQH-LLVKDONJSA-N 1 0 309.366 1.961 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@@H](c1ccccn1)C1CC1 ZINC000932380654 714320870 /nfs/dbraw/zinc/32/08/70/714320870.db2.gz DEGDONVDDBUFFU-MRXNPFEDSA-N 1 0 314.345 1.892 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCC(F)(C3CC3)CC2)c1 ZINC000932631238 714370431 /nfs/dbraw/zinc/37/04/31/714370431.db2.gz ZDINUPITGORURA-ZDUSSCGKSA-N 1 0 312.345 1.366 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000933645207 714637933 /nfs/dbraw/zinc/63/79/33/714637933.db2.gz LAAYCFYVUPHWDU-YHWZYXNKSA-N 1 0 321.381 1.231 20 5 DDBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@H]2C2OCCO2)c1 ZINC000933910132 714699840 /nfs/dbraw/zinc/69/98/40/714699840.db2.gz SFYMNDXFLNDUHJ-AWEZNQCLSA-N 1 0 308.334 1.811 20 5 DDBDRO C[N@H+](CCO)CCNC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000925014866 714727479 /nfs/dbraw/zinc/72/74/79/714727479.db2.gz RNIQKTIMEAIGAQ-UHFFFAOYSA-N 1 0 323.393 1.546 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@H]1CCOC12CCCC2 ZINC000934383433 714807099 /nfs/dbraw/zinc/80/70/99/714807099.db2.gz AFBXSDCMUDLDPT-ZDUSSCGKSA-N 1 0 307.350 1.448 20 5 DDBDRO C[C@@H]1[C@@H](NC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)CC[N@@H+]1C ZINC000925333469 714815171 /nfs/dbraw/zinc/81/51/71/714815171.db2.gz FCMYAZQJCBSDHA-RISCZKNCSA-N 1 0 318.377 1.755 20 5 DDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC2(CC1)CC[NH+](CC1CC1)CC2 ZINC000957547765 715950545 /nfs/dbraw/zinc/95/05/45/715950545.db2.gz PPKBDJNAOXTLDX-HUUCEWRRSA-N 1 0 321.421 1.766 20 5 DDBDRO O=C(N[C@@H]1[C@H]2C[N@H+](CC3CC4(CCC4)C3)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025777422 736850106 /nfs/dbraw/zinc/85/01/06/736850106.db2.gz MBXPEEHRAITPIT-QMIVOQANSA-N 1 0 319.405 1.278 20 5 DDBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)c1cnco1 ZINC001020447286 732387086 /nfs/dbraw/zinc/38/70/86/732387086.db2.gz RCVURUQCFCPNMY-HAQNSBGRSA-N 1 0 316.317 1.633 20 5 DDBDRO [NH3+]Cc1cnc2c(ccn2-c2c(F)c([N+](=O)[O-])cc[n+]2[O-])c1 ZINC001167305123 733115808 /nfs/dbraw/zinc/11/58/08/733115808.db2.gz OERXXMAHGJLTOR-UHFFFAOYSA-N 1 0 303.253 1.165 20 5 DDBDRO O=C(c1[nH]nc([N+](=O)[O-])c1Cl)N1CCC([NH+]2CCC2)CC1 ZINC001167454642 733588219 /nfs/dbraw/zinc/58/82/19/733588219.db2.gz BZHYBCPHSNFKDK-UHFFFAOYSA-N 1 0 313.745 1.282 20 5 DDBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001022061419 734366695 /nfs/dbraw/zinc/36/66/95/734366695.db2.gz HKLQBTXXVQEVDK-XJFOESAGSA-N 1 0 307.325 1.228 20 5 DDBDRO Cc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c(C)n1 ZINC001022063683 734368251 /nfs/dbraw/zinc/36/82/51/734368251.db2.gz GUUUSHOZWNXCFO-LXTVHRRPSA-N 1 0 318.377 1.100 20 5 DDBDRO Cc1ccc(CC(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])o1 ZINC001125858603 736798916 /nfs/dbraw/zinc/79/89/16/736798916.db2.gz IBLGLWUNJYWXHN-UHFFFAOYSA-N 1 0 317.345 1.945 20 5 DDBDRO Cc1cnccc1C(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001126775776 742098905 /nfs/dbraw/zinc/09/89/05/742098905.db2.gz FYYBHYKWXGGCJA-UHFFFAOYSA-N 1 0 320.374 1.879 20 5 DDBDRO O=C(NCC[NH2+]CCOC1CCCCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126939468 742881434 /nfs/dbraw/zinc/88/14/34/742881434.db2.gz ZXJSLKQWISYAAP-ZIAGYGMSSA-N 1 0 313.398 1.097 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)CC[NH+](CC)CC)n1 ZINC001181653156 743286503 /nfs/dbraw/zinc/28/65/03/743286503.db2.gz CRTSQVDRGHECTF-NSHDSACASA-N 1 0 311.386 1.661 20 5 DDBDRO O=C(NCC1C[NH+](CCCc2ccccc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001031660548 747335199 /nfs/dbraw/zinc/33/51/99/747335199.db2.gz KOTRZVPHVUDLIW-HZPDHXFCSA-N 1 0 317.389 1.332 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCC(C)(C)[NH2+]C(C)(C)C1 ZINC001124106851 747559483 /nfs/dbraw/zinc/55/94/83/747559483.db2.gz KWJHKHDBGNNCAS-UHFFFAOYSA-N 1 0 323.397 1.479 20 5 DDBDRO Cc1nc(C)c(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])o1 ZINC001125208314 749022583 /nfs/dbraw/zinc/02/25/83/749022583.db2.gz GKSGDCYLVTURGU-UHFFFAOYSA-N 1 0 318.333 1.719 20 5 DDBDRO C[NH+](C)CCC(=O)NC/C=C\CNc1ccc([N+](=O)[O-])cn1 ZINC001107489741 750045135 /nfs/dbraw/zinc/04/51/35/750045135.db2.gz IHMZKYACDYFWJM-ARJAWSKDSA-N 1 0 307.354 1.026 20 5 DDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2nccn2CC(F)(F)F)C1 ZINC001168991960 762165612 /nfs/dbraw/zinc/16/56/12/762165612.db2.gz INLLCBJQPJSJIR-VHSXEESVSA-N 1 0 306.288 1.980 20 5 DDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+][C@@H]2CCN(CC3CCOCC3)C2)C1 ZINC001168997113 762169629 /nfs/dbraw/zinc/16/96/29/762169629.db2.gz XUICQBTYDQSSRB-HRCADAONSA-N 1 0 311.426 1.522 20 5 DDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+][C@H]2CCCN(c3cnccn3)C2)C1 ZINC001168999059 762171054 /nfs/dbraw/zinc/17/10/54/762171054.db2.gz RMXCZZJJOMUQDY-MJBXVCDLSA-N 1 0 305.382 1.480 20 5 DDBDRO C[N@H+](CCNC(=O)OC(C)(C)C)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169006726 762174680 /nfs/dbraw/zinc/17/46/80/762174680.db2.gz JFUJKXQMEJKKLJ-NEPJUHHUSA-N 1 0 301.387 1.888 20 5 DDBDRO O=C(C1CCCC1)N1CC[C@@H]([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168990708 762182173 /nfs/dbraw/zinc/18/21/73/762182173.db2.gz DMEYQZRXBQEQJN-NWANDNLSSA-N 1 0 309.410 1.813 20 5 DDBDRO CCOC[C@H]1Cn2nccc2C[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169025783 762203327 /nfs/dbraw/zinc/20/33/27/762203327.db2.gz UWQQZUWGWUMIDE-RRFJBIMHSA-N 1 0 322.409 1.797 20 5 DDBDRO C[NH2+][C@@H](C)CCNC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC001118206284 753645163 /nfs/dbraw/zinc/64/51/63/753645163.db2.gz UNVVPBKKLCMUCV-QMMMGPOBSA-N 1 0 324.337 1.848 20 5 DDBDRO COC(=O)Cc1ccc(-n2ccc([C@@H](C)[NH3+])n2)cc1[N+](=O)[O-] ZINC001169232492 762292895 /nfs/dbraw/zinc/29/28/95/762292895.db2.gz FWUGKJVSCLKBMP-SECBINFHSA-N 1 0 304.306 1.516 20 5 DDBDRO Cc1cc(N)n(Nc2cc3c(cc2[N+](=O)[O-])C[NH2+]C3)c(=O)c1 ZINC001169303814 762353208 /nfs/dbraw/zinc/35/32/08/762353208.db2.gz XPKIUEPPTFNWAV-UHFFFAOYSA-N 1 0 301.306 1.126 20 5 DDBDRO C[NH+](C)CCC(=O)N[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC001097252312 757035141 /nfs/dbraw/zinc/03/51/41/757035141.db2.gz VSUSAVAVPOKHEC-PHIMTYICSA-N 1 0 324.356 1.745 20 5 DDBDRO COc1ccc([N+](=O)[O-])nc1-n1cc(CC[NH3+])c2ncccc21 ZINC001169708001 762614501 /nfs/dbraw/zinc/61/45/01/762614501.db2.gz FSMXONSJFXVCGS-UHFFFAOYSA-N 1 0 313.317 1.839 20 5 DDBDRO Cc1ccc(C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000823785270 758363231 /nfs/dbraw/zinc/36/32/31/758363231.db2.gz ZZQIEMZNCHWRON-IUODEOHRSA-N 1 0 320.393 1.267 20 5 DDBDRO O=[N+]([O-])c1cnc(Cl)nc1NC[C@]1(F)CCCC[NH2+]C1 ZINC001155115756 760610024 /nfs/dbraw/zinc/61/00/24/760610024.db2.gz UKDYEYPRLYKOGG-NSHDSACASA-N 1 0 303.725 1.932 20 5 DDBDRO C[N@@H+]1CC[C@H](NC(F)(F)c2cc([N+](=O)[O-])cnc2Cl)C1 ZINC001156580484 763336094 /nfs/dbraw/zinc/33/60/94/763336094.db2.gz LHRKDJBKZPEGTC-ZETCQYMHSA-N 1 0 306.700 1.986 20 5 DDBDRO CC[N@H+](C)CCC(=O)N(C)CCCNc1ccc([N+](=O)[O-])cn1 ZINC001109520290 763778566 /nfs/dbraw/zinc/77/85/66/763778566.db2.gz CTJZIONPWYVNAF-UHFFFAOYSA-N 1 0 323.397 1.592 20 5 DDBDRO COc1ccc(C[C@H](C)n2cc(C[NH3+])cnc2=N)c([N+](=O)[O-])c1 ZINC001170325638 766253138 /nfs/dbraw/zinc/25/31/38/766253138.db2.gz XUBZCXGTRRBBFW-JTQLQIEISA-N 1 0 317.349 1.542 20 5 DDBDRO Cc1ncn(C)c1C(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001129959874 767072075 /nfs/dbraw/zinc/07/20/75/767072075.db2.gz QGUDPFPGKWFMNJ-UHFFFAOYSA-N 1 0 317.349 1.156 20 5 DDBDRO Cc1ncn(-c2ncc([N+](=O)[O-])c(C)n2)c1CSCC[NH3+] ZINC001157965476 767544918 /nfs/dbraw/zinc/54/49/18/767544918.db2.gz BCHWSFBYXPTDGP-UHFFFAOYSA-N 1 0 308.367 1.379 20 5 DDBDRO COCC(=O)N1C[C@@H]2C[N@@H+](Cc3cccc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC001048630706 769593837 /nfs/dbraw/zinc/59/38/37/769593837.db2.gz OSVYYKVXARNWRA-OKILXGFUSA-N 1 0 319.361 1.131 20 5 DDBDRO O=C(NCC[NH2+]Cc1ccccc1[N+](=O)[O-])C1CC2(CC2)C1 ZINC001133646386 770095617 /nfs/dbraw/zinc/09/56/17/770095617.db2.gz IGVKUYRXXKZKJQ-UHFFFAOYSA-N 1 0 303.362 1.991 20 5 DDBDRO O=C(CCc1cn[nH]c1)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001135045457 771297745 /nfs/dbraw/zinc/29/77/45/771297745.db2.gz CPDIMHTXIRFIFT-UHFFFAOYSA-N 1 0 323.378 1.218 20 5 DDBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N[C@H](C)[C@H]2C[NH2+]CCO2)n1 ZINC001159496532 771601481 /nfs/dbraw/zinc/60/14/81/771601481.db2.gz JPGKROVBPJXJIF-HTRCEHHLSA-N 1 0 301.734 1.135 20 5 DDBDRO CC1CC[NH+](CCCNC(=O)c2cnc(N)c([N+](=O)[O-])c2)CC1 ZINC001135835306 771743776 /nfs/dbraw/zinc/74/37/76/771743776.db2.gz MHKPKFJGEYMFMY-UHFFFAOYSA-N 1 0 321.381 1.424 20 5 DDBDRO CCC[N@H+](C)CCC(=O)NCCNc1ccc([N+](=O)[O-])cn1 ZINC001093770805 775066778 /nfs/dbraw/zinc/06/67/78/775066778.db2.gz ISHPIRLNHYHBRX-UHFFFAOYSA-N 1 0 309.370 1.250 20 5 DDBDRO CC(C)[N@H+](C)CC(=O)NCCN(C)c1ccccc1[N+](=O)[O-] ZINC001100149201 775734652 /nfs/dbraw/zinc/73/46/52/775734652.db2.gz AMTHMEOYMYBGRR-UHFFFAOYSA-N 1 0 308.382 1.487 20 5 DDBDRO CC[NH+](CC)CC(=O)NCCCNc1ncccc1[N+](=O)[O-] ZINC001094441807 775878422 /nfs/dbraw/zinc/87/84/22/775878422.db2.gz CGDPTYBADACAEQ-UHFFFAOYSA-N 1 0 309.370 1.250 20 5 DDBDRO CCC[N@H+](C)CC(=O)NCCCNc1ccc([N+](=O)[O-])cc1 ZINC001094517315 775974218 /nfs/dbraw/zinc/97/42/18/775974218.db2.gz LTDDBXHWKZQHQN-UHFFFAOYSA-N 1 0 308.382 1.855 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1CCOC[C@H](O)C1)CC2 ZINC001172903900 776917226 /nfs/dbraw/zinc/91/72/26/776917226.db2.gz JKBXUHKTIIBVFR-GOEBONIOSA-N 1 0 306.362 1.535 20 5 DDBDRO C=CC(=O)NCC[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172911600 776942633 /nfs/dbraw/zinc/94/26/33/776942633.db2.gz KHRNVSJIDAEISD-AWEZNQCLSA-N 1 0 303.362 1.734 20 5 DDBDRO COC(=O)CCC(=O)C[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173216416 777049184 /nfs/dbraw/zinc/04/91/84/777049184.db2.gz JDKMIZQJXCGCNT-NSHDSACASA-N 1 0 308.334 1.638 20 5 DDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)NC(=[NH2+])N1CCN(C)CC1 ZINC001173232153 777063742 /nfs/dbraw/zinc/06/37/42/777063742.db2.gz DAGJSCWXHGZBBH-LBPRGKRZSA-N 1 0 305.382 1.298 20 5 DDBDRO C[NH+](C)[C@H](CC(=O)Nc1cc([N+](=O)[O-])n[nH]1)c1ccccc1 ZINC001177805822 778744302 /nfs/dbraw/zinc/74/43/02/778744302.db2.gz GJRURAVGACIPMW-LLVKDONJSA-N 1 0 303.322 1.949 20 5 DDBDRO C[NH2+][C@H](C)CCNS(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 ZINC001118175841 781053672 /nfs/dbraw/zinc/05/36/72/781053672.db2.gz CRTGOEVPPTXMDH-SECBINFHSA-N 1 0 319.358 1.319 20 5 DDBDRO C[NH+]1CCC(NC(=O)CSc2cccc([N+](=O)[O-])c2)CC1 ZINC001118927378 781274728 /nfs/dbraw/zinc/27/47/28/781274728.db2.gz OAMPJALUUHKNIQ-UHFFFAOYSA-N 1 0 309.391 1.897 20 5 DDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@H]3CCO[C@]4(CCOC4)C3)C2)c1 ZINC001119300894 781398182 /nfs/dbraw/zinc/39/81/82/781398182.db2.gz JXPNFYWEBLQKPO-LFUGVXIPSA-N 1 0 322.365 1.423 20 5 DDBDRO Cc1ocnc1C(=O)N(C)CC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001266652657 836597886 /nfs/dbraw/zinc/59/78/86/836597886.db2.gz FSHIUINWUBLTSY-UHFFFAOYSA-N 1 0 324.362 1.815 20 5 DDBDRO C[C@H](C[N+](C)(C)C)OC[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC001224568950 844916893 /nfs/dbraw/zinc/91/68/93/844916893.db2.gz PTDHZTAPIAEFQM-KGLIPLIRSA-N 1 0 317.450 1.734 20 5 DDBDRO C[NH+](C)[C@H]1C[C@@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC001299818107 845765845 /nfs/dbraw/zinc/76/58/45/845765845.db2.gz IUYAJRDECWFFKQ-KGLIPLIRSA-N 1 0 321.377 1.819 20 5 DDBDRO CCOC(=O)c1cc(C(=O)NCC[C@@H](C)[NH2+]C)cc([N+](=O)[O-])c1 ZINC001326832994 861644047 /nfs/dbraw/zinc/64/40/47/861644047.db2.gz RJLLRSAEROBUEG-SNVBAGLBSA-N 1 0 323.349 1.499 20 5 DDBDRO CSc1cccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)c1F ZINC001234253318 846311136 /nfs/dbraw/zinc/31/11/36/846311136.db2.gz CZVRGIFCANKHJZ-SNVBAGLBSA-N 1 0 302.391 1.910 20 5 DDBDRO O=C(NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cnsn1 ZINC001155091079 861720819 /nfs/dbraw/zinc/72/08/19/861720819.db2.gz LBAIGXWOUXSASK-UHFFFAOYSA-N 1 0 321.362 1.356 20 5 DDBDRO C[NH2+][C@H](C)CCNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001327073636 861851146 /nfs/dbraw/zinc/85/11/46/861851146.db2.gz URFWSOFDZARYHJ-LLVKDONJSA-N 1 0 317.349 1.508 20 5 DDBDRO COc1ncnc(N2C[C@@H]([NH3+])Cc3ccccc32)c1[N+](=O)[O-] ZINC001155298247 861945269 /nfs/dbraw/zinc/94/52/69/861945269.db2.gz CQUSURZPUDZRHC-JTQLQIEISA-N 1 0 301.306 1.415 20 5 DDBDRO O=[N+]([O-])c1cc(Cl)nc(NCc2nnn3c2C[NH2+]CCC3)c1 ZINC001155390455 862030453 /nfs/dbraw/zinc/03/04/53/862030453.db2.gz PFWUMTIPGBUGED-UHFFFAOYSA-N 1 0 323.744 1.340 20 5 DDBDRO O=[N+]([O-])c1cnc(N[C@H]2COCCC23C[NH2+]C3)c2ccccc21 ZINC001155462319 862113938 /nfs/dbraw/zinc/11/39/38/862113938.db2.gz PYMDGFRHKGAZEA-AWEZNQCLSA-N 1 0 314.345 1.933 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(N(C)CCCNC(=O)CC[NH+](C)C)c1 ZINC001095732548 855186492 /nfs/dbraw/zinc/18/64/92/855186492.db2.gz WXHBDQSDSDMACI-UHFFFAOYSA-N 1 0 322.409 1.797 20 5 DDBDRO Cc1c(C(=O)N2CCC[C@H]([NH2+]CCO)C2)cccc1[N+](=O)[O-] ZINC001122172295 858702643 /nfs/dbraw/zinc/70/26/43/858702643.db2.gz BQUYMUBTXWSPIF-LBPRGKRZSA-N 1 0 307.350 1.090 20 5 DDBDRO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)COc1ccc([N+](=O)[O-])c(F)c1)C2 ZINC001122403435 858795558 /nfs/dbraw/zinc/79/55/58/858795558.db2.gz GIUBJFWUCVIJNG-AXFHLTTASA-N 1 0 323.324 1.451 20 5 DDBDRO C[NH2+][C@H](C)CCNC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC001326132889 861124879 /nfs/dbraw/zinc/12/48/79/861124879.db2.gz MWWXZXZABZXVJD-GFCCVEGCSA-N 1 0 308.382 1.777 20 5 DDBDRO Cn1ccc(C(=O)NCCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001156553010 863140771 /nfs/dbraw/zinc/14/07/71/863140771.db2.gz WRJIVDDJBVHQHS-UHFFFAOYSA-N 1 0 316.361 1.843 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(C)cc1-c1noc([C@H]2C[NH2+]CCO2)n1 ZINC001329177154 863517999 /nfs/dbraw/zinc/51/79/99/863517999.db2.gz MIDWGTFIFAYDNA-GFCCVEGCSA-N 1 0 304.306 1.923 20 5 DDBDRO COC(=O)[C@@H](CCC[NH3+])Nc1nc(Cl)c(C)cc1[N+](=O)[O-] ZINC001157114689 863591246 /nfs/dbraw/zinc/59/12/46/863591246.db2.gz LQDRFGAXERIPDH-MRVPVSSYSA-N 1 0 316.745 1.644 20 5 DDBDRO CC(C)(O)CC(=O)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001157273765 863702809 /nfs/dbraw/zinc/70/28/09/863702809.db2.gz JVHYSALJWZXECN-UHFFFAOYSA-N 1 0 309.366 1.352 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@H]3[C@H](C2)CCC[N@@H+]3C)n1 ZINC001157282395 863709602 /nfs/dbraw/zinc/70/96/02/863709602.db2.gz NBWPIYZLELCEHC-GWCFXTLKSA-N 1 0 320.349 1.307 20 5 DDBDRO CC(F)(F)C(=O)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001154113995 864418792 /nfs/dbraw/zinc/41/87/92/864418792.db2.gz CZQKCLXWSOJXCJ-UHFFFAOYSA-N 1 0 301.293 1.846 20 5 DDBDRO COC(=O)[C@]12CC[NH2+][C@H]1CN(c1nccc(C)c1[N+](=O)[O-])CC2 ZINC001158640654 864779162 /nfs/dbraw/zinc/77/91/62/864779162.db2.gz YDCHBVREPZTAGK-NHYWBVRUSA-N 1 0 320.349 1.030 20 5 DDBDRO CO[C@@H]1CN(c2nc3ccccc3c(Cl)c2[N+](=O)[O-])C[C@@H]1[NH3+] ZINC001158705290 864829488 /nfs/dbraw/zinc/82/94/88/864829488.db2.gz HHJCRQANPXRJDM-GXSJLCMTSA-N 1 0 322.752 1.959 20 5 DDBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(NC(C)(C)CC[NH+](C)C)n1 ZINC001158759950 864883855 /nfs/dbraw/zinc/88/38/55/864883855.db2.gz FNULSKPHBPKRPB-UHFFFAOYSA-N 1 0 324.385 1.794 20 5 DDBDRO [NH3+]CCN(CC(F)(F)F)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC001331350160 865025883 /nfs/dbraw/zinc/02/58/83/865025883.db2.gz HGDHACDSDYTHRJ-UHFFFAOYSA-N 1 0 305.256 1.487 20 5 DDBDRO CN(C)/C=C/c1cc(N2CC3(C2)CCC[NH2+]C3)ncc1[N+](=O)[O-] ZINC001159025521 865053059 /nfs/dbraw/zinc/05/30/59/865053059.db2.gz SDXHESFBUMSVCQ-QPJJXVBHSA-N 1 0 317.393 1.712 20 5 DDBDRO CSc1nc(Cl)c([N+](=O)[O-])c(NC[C@H]2COCC[NH2+]2)n1 ZINC001159042610 865067318 /nfs/dbraw/zinc/06/73/18/865067318.db2.gz HQWQLGNHXOKYHP-LURJTMIESA-N 1 0 319.774 1.160 20 5 DDBDRO Cc1cnc(NC[C@H]2O[C@H](C(C)C)O[C@@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC001159237517 865176168 /nfs/dbraw/zinc/17/61/68/865176168.db2.gz CMRJIPFQXGFIJU-YRGRVCCFSA-N 1 0 310.354 1.435 20 5 DDBDRO Cc1c(C)c([N+](=O)[O-])cnc1NC[C@H]1O[C@@H](C(C)C)O[C@@H]1C[NH3+] ZINC001159240738 865181343 /nfs/dbraw/zinc/18/13/43/865181343.db2.gz UJFPRWZGLVVGRT-NFAWXSAZSA-N 1 0 324.381 1.743 20 5 DDBDRO CN(CC[NH3+])CCNc1nc(Cl)c(Cl)cc1[N+](=O)[O-] ZINC001159439730 865294904 /nfs/dbraw/zinc/29/49/04/865294904.db2.gz XWQGWCLAIRJGAC-UHFFFAOYSA-N 1 0 308.169 1.599 20 5 DDBDRO CCOC(=O)C1C[NH2+]CCC1=Nc1ncc(C)cc1[N+](=O)[O-] ZINC001159453109 865309795 /nfs/dbraw/zinc/30/97/95/865309795.db2.gz OUNYIKORPXINJI-UHFFFAOYSA-N 1 0 306.322 1.521 20 5 DDBDRO Cc1nc(Cl)nc(N[C@@H](C)[C@@H]2C[NH2+]CCO2)c1[N+](=O)[O-] ZINC001159489151 865342310 /nfs/dbraw/zinc/34/23/10/865342310.db2.gz KKYZTLJJHUGECJ-XPUUQOCRSA-N 1 0 301.734 1.135 20 5 DDBDRO CC[C@]([NH3+])(CO)NC(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1 ZINC001159740091 865495560 /nfs/dbraw/zinc/49/55/60/865495560.db2.gz ZKHKPZKUDSGTEN-SECBINFHSA-N 1 0 310.688 1.339 20 5 DDBDRO C[NH+](C)CCCCC(=O)N[C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC001332195432 865654380 /nfs/dbraw/zinc/65/43/80/865654380.db2.gz OGHHPAXPWBCSLW-INIZCTEOSA-N 1 0 323.393 1.650 20 5 DDBDRO [NH3+]C[C@@]1(Nc2ncc(Cl)cc2[N+](=O)[O-])CN2CCC1CC2 ZINC001160508409 865890998 /nfs/dbraw/zinc/89/09/98/865890998.db2.gz FYOXIEWNDXRTLW-CYBMUJFWSA-N 1 0 311.773 1.478 20 5 DDBDRO COc1nc(N[C@@H]2CC[NH2+]C[C@@H]2C(F)(F)F)ccc1[N+](=O)[O-] ZINC001160736500 866085310 /nfs/dbraw/zinc/08/53/10/866085310.db2.gz MHHHTTKZNQRZHF-JGVFFNPUSA-N 1 0 320.271 1.951 20 5 DDBDRO COc1cccc2c1c(C[NH3+])cn2-c1ccc([N+](=O)[O-])c(N)n1 ZINC001160763711 866104978 /nfs/dbraw/zinc/10/49/78/866104978.db2.gz NYWPWNYOPFLBJN-UHFFFAOYSA-N 1 0 313.317 1.983 20 5 DDBDRO Nc1nc(N(C2COC2)[C@H]2CC[C@H]([NH3+])CC2)ccc1[N+](=O)[O-] ZINC001161280616 866488551 /nfs/dbraw/zinc/48/85/51/866488551.db2.gz GFBHBXRPWPZWMM-MGCOHNPYSA-N 1 0 307.354 1.047 20 5 DDBDRO Cn1cc([N+](=O)[O-])c(-c2nc([C@@H]3C[NH+]4CCC3CC4)no2)n1 ZINC001323915610 866946519 /nfs/dbraw/zinc/94/65/19/866946519.db2.gz UTYIENUBGJSVHZ-SECBINFHSA-N 1 0 304.310 1.188 20 5 DDBDRO C[C@@H](CN1CC[NH2+]CC1)Nc1cc2cccnc2c([N+](=O)[O-])c1 ZINC001162097092 867249082 /nfs/dbraw/zinc/24/90/82/867249082.db2.gz GKXMECVYJOCSEB-LBPRGKRZSA-N 1 0 315.377 1.849 20 5 DDBDRO C[NH+](C)CCONC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC001334408756 867547220 /nfs/dbraw/zinc/54/72/20/867547220.db2.gz OZJHCESYHSBLTG-UHFFFAOYSA-N 1 0 304.306 1.366 20 5 DDBDRO CCOC1(OCC)CC[NH2+]C[C@@H]1Nc1cc(C)c([N+](=O)[O-])cn1 ZINC001162729738 867778238 /nfs/dbraw/zinc/77/82/38/867778238.db2.gz QNIWVYJRDWOMOG-ZDUSSCGKSA-N 1 0 324.381 1.841 20 5 DDBDRO O=[N+]([O-])c1cc[n+]([O-])cc1NCc1ccc2c(c1)CC[NH2+]C2 ZINC001162810674 867843225 /nfs/dbraw/zinc/84/32/25/867843225.db2.gz WENYYJWLJAOTRY-UHFFFAOYSA-N 1 0 300.318 1.486 20 5 DDBDRO CN(C)/C=C/c1cc(NC[C@@H]2CC[NH2+]C[C@@H]2F)ncc1[N+](=O)[O-] ZINC001162809048 867843631 /nfs/dbraw/zinc/84/36/31/867843631.db2.gz VFLLVCIQTMXBDI-VFQZCJPISA-N 1 0 323.372 1.882 20 5 DDBDRO COc1cc(N[C@@H]2COCCC23C[NH2+]C3)cc([N+](=O)[O-])c1C ZINC001163079331 868063246 /nfs/dbraw/zinc/06/32/46/868063246.db2.gz MYKHJXHQRCIONY-CQSZACIVSA-N 1 0 307.350 1.702 20 5 DDBDRO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)c1cccc([N+](=O)[O-])c1N ZINC001322336428 868118872 /nfs/dbraw/zinc/11/88/72/868118872.db2.gz KYWBDCOSVUJELG-RYUDHWBXSA-N 1 0 306.366 1.780 20 5 DDBDRO NC1=CC=C(C2CCN(c3ncc(F)cc3[N+](=O)[O-])CC2)[NH2+]C1 ZINC001163131100 868138546 /nfs/dbraw/zinc/13/85/46/868138546.db2.gz ODGWXUGOROFWND-UHFFFAOYSA-N 1 0 319.340 1.675 20 5 DDBDRO O=[N+]([O-])c1ccc(NC[C@@]23C[NH2+][C@@H](CO2)C3)c2ccncc21 ZINC001163196370 868204357 /nfs/dbraw/zinc/20/43/57/868204357.db2.gz AKWWKUXBKZDSBZ-MEBBXXQBSA-N 1 0 300.318 1.686 20 5 DDBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CCC[C@]12CC[NH2+]C2 ZINC001335405682 868275159 /nfs/dbraw/zinc/27/51/59/868275159.db2.gz AVSSEQITQHDUMF-MRXNPFEDSA-N 1 0 318.377 1.675 20 5 DDBDRO C[C@H](CC[S@](C)=O)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001335445871 868303827 /nfs/dbraw/zinc/30/38/27/868303827.db2.gz ULJCRIVRAFKPLA-FBWDIHGXSA-N 1 0 300.380 1.375 20 5 DDBDRO COc1cccc([C@@H](C[NH3+])Nc2c(C)c([N+](=O)[O-])cc[n+]2[O-])c1 ZINC001163308820 868332735 /nfs/dbraw/zinc/33/27/35/868332735.db2.gz HJWFGKAHQXDYTH-CYBMUJFWSA-N 1 0 318.333 1.657 20 5 DDBDRO CNC(=O)[C@H](CCCC[NH3+])Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC001163438398 868447833 /nfs/dbraw/zinc/44/78/33/868447833.db2.gz IGCGITSIHLENKX-VIFPVBQESA-N 1 0 315.761 1.299 20 5 DDBDRO COC(=O)c1cnc(N2CCC[C@@H]2C[NH+](C)C)c([N+](=O)[O-])c1 ZINC001165074201 869363517 /nfs/dbraw/zinc/36/35/17/869363517.db2.gz YXEAWWIQRRVEML-LLVKDONJSA-N 1 0 308.338 1.307 20 5 DDBDRO C[NH+](C)C[C@]12C[C@H]1CN(c1ccc3[nH]cc([N+](=O)[O-])c3n1)C2 ZINC001165185246 869419574 /nfs/dbraw/zinc/41/95/74/869419574.db2.gz QBKHACGFEGHFJM-BONVTDFDSA-N 1 0 301.350 1.859 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])ncc1NCC[C@H]1CCC[N@H+](C)C1 ZINC001165300481 869506090 /nfs/dbraw/zinc/50/60/90/869506090.db2.gz PFMDDDAYBUGUDM-LLVKDONJSA-N 1 0 322.365 1.920 20 5 DDBDRO COC(=O)[C@H]1C[NH2+]CCN1c1ccc2ccc3cccnc3c2n1 ZINC001165437520 869601168 /nfs/dbraw/zinc/60/11/68/869601168.db2.gz SRLHRTYFUXPSNH-CQSZACIVSA-N 1 0 322.368 1.734 20 5 DDBDRO COC(=O)[C@@H]1C[NH2+]CCN1c1ncc([N+](=O)[O-])c2ccccc21 ZINC001165439610 869603288 /nfs/dbraw/zinc/60/32/88/869603288.db2.gz RUBMNUYZLFIHIL-ZDUSSCGKSA-N 1 0 316.317 1.094 20 5 DDBDRO [NH3+][C@H]1CCN(c2cc([N+](=O)[O-])cc(Cl)[n+]2[O-])CC1(F)F ZINC001166959162 870422292 /nfs/dbraw/zinc/42/22/92/870422292.db2.gz UIMLNPNEROVRBP-ZETCQYMHSA-N 1 0 308.672 1.054 20 5 DDBDRO COC(=O)[C@@H]1C[C@@H]([NH3+])CN1c1nc(Cl)cc(C)c1[N+](=O)[O-] ZINC001166963321 870427618 /nfs/dbraw/zinc/42/76/18/870427618.db2.gz KFCDJCYQADFCGJ-SFYZADRCSA-N 1 0 314.729 1.031 20 5 DDBDRO O=C(NCc1ccccc1[N+](=O)[O-])C1(C2CC[NH2+]CC2)CC1 ZINC001339823676 870715900 /nfs/dbraw/zinc/71/59/00/870715900.db2.gz XGFQCVGNMNVFEI-UHFFFAOYSA-N 1 0 303.362 1.991 20 5 DDBDRO CCn1c(C[N+](=O)[O-])nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001340112417 870896574 /nfs/dbraw/zinc/89/65/74/870896574.db2.gz GCWBXVDUAGLVMZ-UHFFFAOYSA-N 1 0 322.413 1.529 20 5 DDBDRO CCn1c([C@@H](C)[N+](=O)[O-])nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001340123901 870906410 /nfs/dbraw/zinc/90/64/10/870906410.db2.gz LWHUDCHBBCBNFV-OLZOCXBDSA-N 1 0 322.413 1.700 20 5 DDBDRO C[NH+](C)[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C1(C)C ZINC001306860777 871369352 /nfs/dbraw/zinc/36/93/52/871369352.db2.gz XVRQUYDZVWIVEY-MNOVXSKESA-N 1 0 308.338 1.154 20 5 DDBDRO O=C(CNc1ccccc1[N+](=O)[O-])NC[C@H]1CCCCC[NH2+]1 ZINC001341560782 871713984 /nfs/dbraw/zinc/71/39/84/871713984.db2.gz VFFUZJNJJBJVFS-GFCCVEGCSA-N 1 0 306.366 1.655 20 5 DDBDRO C[NH2+]CCCN(C)C(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC001341845614 871853446 /nfs/dbraw/zinc/85/34/46/871853446.db2.gz QOBQKWZPWWLEPW-AWEZNQCLSA-N 1 0 320.349 1.156 20 5 DDBDRO [NH3+][C@@H]1CCN(Cc2ccc3ccc4cccnc4c3n2)C[C@H]1O ZINC001205967050 871964783 /nfs/dbraw/zinc/96/47/83/871964783.db2.gz HSEYZHKCQKUNEM-HZPDHXFCSA-N 1 0 308.385 1.677 20 5 DDBDRO COc1ccc(CC(=O)N[C@H]2C[NH2+]CC23CC3)cc1[N+](=O)[O-] ZINC001342101410 872003504 /nfs/dbraw/zinc/00/35/04/872003504.db2.gz YXXGISCKMNHHAZ-ZDUSSCGKSA-N 1 0 305.334 1.014 20 5 DDBDRO Cc1ccc(CC[N@H+](C)CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC001316823113 872116680 /nfs/dbraw/zinc/11/66/80/872116680.db2.gz CKSQSFJORDRVLQ-HZPDHXFCSA-N 1 0 319.405 1.641 20 5 DDBDRO CC(C)CNC(=O)C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC001343912726 872802752 /nfs/dbraw/zinc/80/27/52/872802752.db2.gz GWLQHGCONQYNOO-QWHCGFSZSA-N 1 0 323.397 1.637 20 5 DDBDRO C[NH2+][C@H](CNC(=O)c1cc([N+](=O)[O-])cn1C)Cc1ccccc1 ZINC001344833869 873139742 /nfs/dbraw/zinc/13/97/42/873139742.db2.gz WFVATVMHXAGZFD-ZDUSSCGKSA-N 1 0 316.361 1.494 20 5 DDBDRO C[C@@H](CC[NH+]1CCCC1)OC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC001345533517 873431997 /nfs/dbraw/zinc/43/19/97/873431997.db2.gz KUAPPYMIDXLBHN-LBPRGKRZSA-N 1 0 324.381 1.944 20 5 DDBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N[C@]12CCC[C@H]1C[NH2+]C2 ZINC001345715869 873486202 /nfs/dbraw/zinc/48/62/02/873486202.db2.gz NUMLSLZCRIQRAI-LRDDRELGSA-N 1 0 318.377 1.655 20 5 DDBDRO CN(C)C1(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC001346250634 873666849 /nfs/dbraw/zinc/66/68/49/873666849.db2.gz GPGLEOWDOGXKIC-ZDUSSCGKSA-N 1 0 309.366 1.018 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1C2CCC1(CO)CC2 ZINC001351632187 876358058 /nfs/dbraw/zinc/35/80/58/876358058.db2.gz KPCHCXNJWGZCSH-MFOWVQHXSA-N 1 0 322.361 1.324 20 5 DDBDRO O=C(Cc1ccccc1[N+](=O)[O-])N1CC[NH2+]CCC12CCC2 ZINC001353125757 877136834 /nfs/dbraw/zinc/13/68/34/877136834.db2.gz INUIPEQAKFGPAE-UHFFFAOYSA-N 1 0 303.362 1.882 20 5 DDBDRO C[C@@H](C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)NCC(F)F ZINC001353352403 877273121 /nfs/dbraw/zinc/27/31/21/877273121.db2.gz FKZFAVYIAORTEV-CABZTGNLSA-N 1 0 303.309 1.461 20 5 DDBDRO Nc1cc2nc3ccccc3nc2cc1NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC001218858332 877770207 /nfs/dbraw/zinc/77/02/07/877770207.db2.gz YRXSBJHMYMBMLG-FMDODWBZSA-N 1 0 319.368 1.769 20 5 DDBDRO N[C@@]1(C(=O)Nc2cc3cccnc3c3ncccc23)CCC[NH2+]C1 ZINC001218978873 877848123 /nfs/dbraw/zinc/84/81/23/877848123.db2.gz BSYBNGARQWCTBO-SFHVURJKSA-N 1 0 321.384 1.802 20 5 DDBDRO Nc1ccc2n(C(=O)[C@@H](N)CC[NH3+])c3ccccc3cc-2c1=O ZINC001219255908 878059958 /nfs/dbraw/zinc/05/99/58/878059958.db2.gz MZPBFPSWJRTHDF-ZDUSSCGKSA-N 1 0 310.357 1.005 20 5 DDBDRO C[C@H](NC(=O)C[NH2+]C[C@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC001354829091 878253179 /nfs/dbraw/zinc/25/31/79/878253179.db2.gz GUZIYXNBJRHGFA-SMDDNHRTSA-N 1 0 307.350 1.541 20 5 DDBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001356585877 879117162 /nfs/dbraw/zinc/11/71/62/879117162.db2.gz NZYLRGMYYDGQDB-IACUBPJLSA-N 1 0 304.350 1.329 20 5 DDBDRO C[C@H](CC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)[S@@](C)=O ZINC001356627615 879136876 /nfs/dbraw/zinc/13/68/76/879136876.db2.gz ALGXWBFFVFDHMG-LITPITGPSA-N 1 0 300.380 1.375 20 5 DDBDRO O=C(NCCCCCN1CC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1 ZINC001358213831 880368846 /nfs/dbraw/zinc/36/88/46/880368846.db2.gz UTGRLIFVFFZZTR-UHFFFAOYSA-N 1 0 320.393 1.400 20 5 DDBDRO CC[N@@H+]1CC[C@@H](OCc2cccc(C(=O)OC)c2[N+](=O)[O-])C1 ZINC001223664361 881049339 /nfs/dbraw/zinc/04/93/39/881049339.db2.gz HWHMBDNBECDDOJ-GFCCVEGCSA-N 1 0 308.334 1.992 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1nc2ccccc2n1C1CC1 ZINC001229164260 883852085 /nfs/dbraw/zinc/85/20/85/883852085.db2.gz CUAHGMFRDPJJPC-CYBMUJFWSA-N 1 0 318.397 1.734 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccccc1-c1cc(N)n[nH]1 ZINC001229348817 883936979 /nfs/dbraw/zinc/93/69/79/883936979.db2.gz MBVVTXBHCXQMTF-LLVKDONJSA-N 1 0 319.385 1.022 20 5 DDBDRO C[C@@H]1Cc2cccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)c2C(=O)O1 ZINC001229975353 884259395 /nfs/dbraw/zinc/25/93/95/884259395.db2.gz LHJVZYYVANLEET-DGCLKSJQSA-N 1 0 322.381 1.151 20 5 DDBDRO CC(=O)c1ccc(Cl)cc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001230295525 884413626 /nfs/dbraw/zinc/41/36/26/884413626.db2.gz BNCYHKPZNUBDBZ-GFCCVEGCSA-N 1 0 314.789 1.905 20 5 DDBDRO C[C@H](C[N+](C)(C)C)Oc1nc2cc(Cl)ccc2c2nnnn21 ZINC001231170772 885318816 /nfs/dbraw/zinc/31/88/16/885318816.db2.gz TUEIVPWWKLNSQH-SECBINFHSA-N 1 0 321.792 1.799 20 5 DDBDRO COC(=O)[C@H](CCCC[NH3+])N[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001246151654 892445741 /nfs/dbraw/zinc/44/57/41/892445741.db2.gz KODIAHCDIQIDPL-JSGCOSHPSA-N 1 0 323.393 1.786 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N[C@H]2CC23C[NH2+]C3)c1F ZINC001246444823 892629514 /nfs/dbraw/zinc/62/95/14/892629514.db2.gz LWZCPPWOVNXYPA-RNCFNFMXSA-N 1 0 309.341 1.625 20 5 DDBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@@]23CC[C@H]2C[NH2+]C3)n1 ZINC001247887225 893459981 /nfs/dbraw/zinc/45/99/81/893459981.db2.gz PNLBRRIKAPZJKZ-WPPNPWJKSA-N 1 0 305.269 1.430 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCN(C2COC2)C1 ZINC001254537770 896494365 /nfs/dbraw/zinc/49/43/65/896494365.db2.gz HJKWYJJPANUYFR-UKRRQHHQSA-N 1 0 319.405 1.979 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001254550558 896498965 /nfs/dbraw/zinc/49/89/65/896498965.db2.gz LSQIVHBUAWKOPN-GDBMZVCRSA-N 1 0 319.405 1.932 20 5 DDBDRO O=C(C1CC1)N1CC[C@H]([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254587093 896518678 /nfs/dbraw/zinc/51/86/78/896518678.db2.gz VGTYSZGOHQOVJE-GJZGRUSLSA-N 1 0 315.373 1.663 20 5 DDBDRO C[C@@H]([NH2+]CCN1CCC(CO)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC001261239878 899433312 /nfs/dbraw/zinc/43/33/12/899433312.db2.gz DBHUTVFERMWRMW-GFCCVEGCSA-N 1 0 322.409 1.532 20 5 DDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[NH+](CCC2CCCCC2)CC1 ZINC001261281665 899449321 /nfs/dbraw/zinc/44/93/21/899449321.db2.gz HCEVQGANLDVRKS-HUUCEWRRSA-N 1 0 309.410 1.766 20 5 DDBDRO C[C@@H](O)C[NH+]1CCN(c2ncc([N+](=O)[O-])c3ccccc32)CC1 ZINC001262059344 899922509 /nfs/dbraw/zinc/92/25/09/899922509.db2.gz WGMQCWFTXDPMGT-GFCCVEGCSA-N 1 0 316.361 1.646 20 5 DDBDRO O=C1C[C@]2(CC[N@@H+](CCOc3ccccc3[N+](=O)[O-])C2)CN1 ZINC000278760991 214383192 /nfs/dbraw/zinc/38/31/92/214383192.db2.gz BNOGNRNNMGBMGG-OAHLLOKOSA-N 1 0 305.334 1.186 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H](C)C[C@H](O)C1 ZINC000452064915 231287726 /nfs/dbraw/zinc/28/77/26/231287726.db2.gz GVJCZNSNDVTOCR-FZMZJTMJSA-N 1 0 321.377 1.935 20 5 DDBDRO CC[C@H]([NH2+]C[C@@H](O)Cn1ccnn1)c1cccc([N+](=O)[O-])c1 ZINC000414178796 529612729 /nfs/dbraw/zinc/61/27/29/529612729.db2.gz KFWRWNWYDVTUJK-KGLIPLIRSA-N 1 0 305.338 1.288 20 5 DDBDRO CNC(=O)CC[C@@H]1CCCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000286603610 219076992 /nfs/dbraw/zinc/07/69/92/219076992.db2.gz WSOYJRHYSVGXPD-LBPRGKRZSA-N 1 0 309.370 1.172 20 5 DDBDRO [NH3+]C1CCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000092713885 185335688 /nfs/dbraw/zinc/33/56/88/185335688.db2.gz LMXWWXDDVWFYMM-UHFFFAOYSA-N 1 0 312.757 1.610 20 5 DDBDRO COCCC[N@H+](C)CCNC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000255526984 282263601 /nfs/dbraw/zinc/26/36/01/282263601.db2.gz LVEFHICVUXKXLC-HJWRWDBZSA-N 1 0 321.377 1.693 20 5 DDBDRO CN(CC(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1)c1ccccc1[N+](=O)[O-] ZINC000449642597 529834926 /nfs/dbraw/zinc/83/49/26/529834926.db2.gz GPCWBJYZEMYYDP-CHWSQXEVSA-N 1 0 320.393 1.665 20 5 DDBDRO CN(CC[C@H]1CCCC[N@@H+]1C)c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000301962657 529931848 /nfs/dbraw/zinc/93/18/48/529931848.db2.gz ISAIONUFMVYBHA-GFCCVEGCSA-N 1 0 318.381 1.948 20 5 DDBDRO C[NH2+]CCCN(C)C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000424033673 529964246 /nfs/dbraw/zinc/96/42/46/529964246.db2.gz PEXKCFGADOHSRQ-UHFFFAOYSA-N 1 0 309.322 1.048 20 5 DDBDRO C[NH2+]CCCNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000418281163 529967338 /nfs/dbraw/zinc/96/73/38/529967338.db2.gz CPKVNBZYGWWDTF-UHFFFAOYSA-N 1 0 306.366 1.878 20 5 DDBDRO C[NH2+]CCN(C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000435370409 529973394 /nfs/dbraw/zinc/97/33/94/529973394.db2.gz ISBUUZDCPDXNNZ-UHFFFAOYSA-N 1 0 303.366 1.647 20 5 DDBDRO C[C@@H](O)CC[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000304131406 282383204 /nfs/dbraw/zinc/38/32/04/282383204.db2.gz QPBNPSBPGZNRGC-LLVKDONJSA-N 1 0 304.350 1.856 20 5 DDBDRO COC(=O)c1cc(C(=O)N[C@@H](C)C[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000286874038 219205114 /nfs/dbraw/zinc/20/51/14/219205114.db2.gz DPVAYQJGQHQFCS-VIFPVBQESA-N 1 0 309.322 1.061 20 5 DDBDRO C[NH+]1CCC(C)(CNC(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000272621933 210022832 /nfs/dbraw/zinc/02/28/32/210022832.db2.gz YJRGCUQVEXGTKU-UHFFFAOYSA-N 1 0 321.377 1.822 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000277567936 213623316 /nfs/dbraw/zinc/62/33/16/213623316.db2.gz KWUKJXAVIGEOEJ-QWRGUYRKSA-N 1 0 319.361 1.958 20 5 DDBDRO O=c1onc(-c2cccc([N+](=O)[O-])c2)n1CC[C@H]1CCC[NH2+]C1 ZINC000564451017 303998633 /nfs/dbraw/zinc/99/86/33/303998633.db2.gz WIEKXSYJLWIZCZ-LLVKDONJSA-N 1 0 318.333 1.801 20 5 DDBDRO Cc1c(NC(=O)CC[N@@H+]2C[C@@H](O)C(C)(C)C2)cccc1[N+](=O)[O-] ZINC000279881940 215202714 /nfs/dbraw/zinc/20/27/14/215202714.db2.gz UKMUDVIRCKRWFG-CQSZACIVSA-N 1 0 321.377 1.935 20 5 DDBDRO Cc1cc(C(=O)NCC[N@H+]2CC=CCC2)c(N)c([N+](=O)[O-])c1 ZINC000279924993 215241823 /nfs/dbraw/zinc/24/18/23/215241823.db2.gz GLWMUGKEUSCYMD-UHFFFAOYSA-N 1 0 304.350 1.477 20 5 DDBDRO Cc1nn(CCC(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)c(C)c1[N+](=O)[O-] ZINC000237466344 186293988 /nfs/dbraw/zinc/29/39/88/186293988.db2.gz FZJVGLAQPUGZEM-GXFFZTMASA-N 1 0 323.397 1.384 20 5 DDBDRO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000262880913 186318417 /nfs/dbraw/zinc/31/84/17/186318417.db2.gz VXKFNTHHPTUOST-VHSXEESVSA-N 1 0 311.769 2.000 20 5 DDBDRO CN(CC(=O)NCCC[C@H]1CCC[NH2+]1)c1ccccc1[N+](=O)[O-] ZINC000294767402 186675450 /nfs/dbraw/zinc/67/54/50/186675450.db2.gz FQARDFBWNSVQDC-CYBMUJFWSA-N 1 0 320.393 1.679 20 5 DDBDRO O=C(COc1ccccc1[N+](=O)[O-])NCCC[NH+]1CCCCC1 ZINC000022695585 352179330 /nfs/dbraw/zinc/17/93/30/352179330.db2.gz ZYCSXFDWQLTFOF-UHFFFAOYSA-N 1 0 321.377 1.966 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)n1 ZINC000331725256 234048957 /nfs/dbraw/zinc/04/89/57/234048957.db2.gz MPZRHBFUMSRBSC-WDEREUQCSA-N 1 0 307.354 1.168 20 5 DDBDRO C[C@@H]1CCC[N@H+](CCNC(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000046861370 352465883 /nfs/dbraw/zinc/46/58/83/352465883.db2.gz YPGYNEMXOCGEEF-CYBMUJFWSA-N 1 0 305.378 1.985 20 5 DDBDRO C[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C[C@H]1CCCO1 ZINC000052101700 352599678 /nfs/dbraw/zinc/59/96/78/352599678.db2.gz KIHBIMCPHWAUKI-DZGCQCFKSA-N 1 0 310.350 1.445 20 5 DDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000052590861 352619610 /nfs/dbraw/zinc/61/96/10/352619610.db2.gz KHUMVAZXWPCPKL-CYBMUJFWSA-N 1 0 306.366 1.830 20 5 DDBDRO C[C@@H](CNC(=O)Cn1ccc([N+](=O)[O-])n1)[N@@H+]1CCCC[C@H]1C ZINC000055362620 352730376 /nfs/dbraw/zinc/73/03/76/352730376.db2.gz HYFYOIFIFATVMS-NEPJUHHUSA-N 1 0 309.370 1.170 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000062587303 352900735 /nfs/dbraw/zinc/90/07/35/352900735.db2.gz HTICPVAVJDDZMH-NSHDSACASA-N 1 0 322.365 1.298 20 5 DDBDRO CC[N@H+](CCC(=O)OC)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000064570587 352940803 /nfs/dbraw/zinc/94/08/03/352940803.db2.gz YRVJASZLBIUCEJ-UHFFFAOYSA-N 1 0 324.333 1.846 20 5 DDBDRO COc1ccc(CC(=O)N2CC[NH+](C(C)C)CC2)cc1[N+](=O)[O-] ZINC000067905836 353074414 /nfs/dbraw/zinc/07/44/14/353074414.db2.gz XWENFCLWGYRUKZ-UHFFFAOYSA-N 1 0 321.377 1.699 20 5 DDBDRO O=C(Cn1ccc([N+](=O)[O-])n1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000068132788 353091214 /nfs/dbraw/zinc/09/12/14/353091214.db2.gz RDYOAALCHSTVFC-ZDUSSCGKSA-N 1 0 321.381 1.268 20 5 DDBDRO C[NH+]1CCC(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000073513905 353255532 /nfs/dbraw/zinc/25/55/32/353255532.db2.gz PYYNALKFKBGLTR-UHFFFAOYSA-N 1 0 307.350 1.432 20 5 DDBDRO C[C@H]1C[C@@H](C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)CC[NH2+]1 ZINC000564992621 304034104 /nfs/dbraw/zinc/03/41/04/304034104.db2.gz RAXYOOCJGMETTL-QWRGUYRKSA-N 1 0 304.350 1.263 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCOC3(CCCCC3)C2)c1 ZINC000075832659 353381171 /nfs/dbraw/zinc/38/11/71/353381171.db2.gz BCBFAKCRJOUUJT-AWEZNQCLSA-N 1 0 324.381 1.187 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@@]3(CCCOC3)C2)c1 ZINC000355776143 291003591 /nfs/dbraw/zinc/00/35/91/291003591.db2.gz BBSUGMQCQXLIPY-LSDHHAIUSA-N 1 0 324.381 1.045 20 5 DDBDRO CCc1nn(C)c(N2CC[NH+](C3CCCC3)CC2)c1[N+](=O)[O-] ZINC000092828256 353871382 /nfs/dbraw/zinc/87/13/82/353871382.db2.gz NXRFLSYXFFOLDT-UHFFFAOYSA-N 1 0 307.398 1.955 20 5 DDBDRO CCc1nn(C)c(NC[C@H](C)N2CC[NH+](CC)CC2)c1[N+](=O)[O-] ZINC000092828655 353871522 /nfs/dbraw/zinc/87/15/22/353871522.db2.gz PZDGJZCLEYRLNV-LBPRGKRZSA-N 1 0 324.429 1.329 20 5 DDBDRO COc1cc(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000108304199 353949210 /nfs/dbraw/zinc/94/92/10/353949210.db2.gz LFXWHYDQUMZZSJ-CYBMUJFWSA-N 1 0 319.361 1.818 20 5 DDBDRO CCCN(C(=O)CCn1cc([N+](=O)[O-])nc1C)C1CC[NH2+]CC1 ZINC000236788295 202009064 /nfs/dbraw/zinc/00/90/64/202009064.db2.gz BWFNXGNOWSIOJA-UHFFFAOYSA-N 1 0 323.397 1.480 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000277039155 213257145 /nfs/dbraw/zinc/25/71/45/213257145.db2.gz HBIMQNHJZWFVRB-BXUZGUMPSA-N 1 0 319.361 1.770 20 5 DDBDRO CNC(=O)[C@@]1(C)CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000281125842 354425800 /nfs/dbraw/zinc/42/58/00/354425800.db2.gz OAKVACLIVUTCRL-INIZCTEOSA-N 1 0 321.377 1.822 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000305356028 354470004 /nfs/dbraw/zinc/47/00/04/354470004.db2.gz XQCPFLCLCZDWQV-AWEZNQCLSA-N 1 0 304.350 1.593 20 5 DDBDRO C[NH+]1CCN(CCNc2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000322004627 354535016 /nfs/dbraw/zinc/53/50/16/354535016.db2.gz OAHNOBNEHPQJLP-UHFFFAOYSA-N 1 0 316.365 1.197 20 5 DDBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000407313189 354679481 /nfs/dbraw/zinc/67/94/81/354679481.db2.gz OKEBRJUTZMTFFW-CABCVRRESA-N 1 0 303.362 1.784 20 5 DDBDRO CC[C@@H]1C[C@@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000584835272 354778683 /nfs/dbraw/zinc/77/86/83/354778683.db2.gz VFZRZRWYYIIFOF-BFHYXJOUSA-N 1 0 324.377 1.882 20 5 DDBDRO CCn1c(C)nc([N+](=O)[O-])c1NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000588823523 354939486 /nfs/dbraw/zinc/93/94/86/354939486.db2.gz AUKXCDHSCQMBAN-ZDUSSCGKSA-N 1 0 323.397 1.785 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@]1(C)CCO[C@@H]1C ZINC000494252579 235011973 /nfs/dbraw/zinc/01/19/73/235011973.db2.gz ZBGIULMSGHNTNZ-IAQYHMDHSA-N 1 0 307.350 1.999 20 5 DDBDRO COc1cc(C(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000590442696 355096315 /nfs/dbraw/zinc/09/63/15/355096315.db2.gz ACHHCXYGGZBWPW-YPMHNXCESA-N 1 0 305.334 1.380 20 5 DDBDRO C[N@@H+]1C[C@H]2CCN(C(=O)CCNc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000590446544 355099084 /nfs/dbraw/zinc/09/90/84/355099084.db2.gz UJAAVCQKXDYSIK-DOMZBBRYSA-N 1 0 318.377 1.559 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc4c(cc3[N+](=O)[O-])OCO4)C[C@@H]21 ZINC000590872558 355202506 /nfs/dbraw/zinc/20/25/06/355202506.db2.gz HUNPVHDUHMJCDV-SKDRFNHKSA-N 1 0 319.317 1.100 20 5 DDBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2c2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000248683297 283094531 /nfs/dbraw/zinc/09/45/31/283094531.db2.gz XTDHZEGWSRCGDX-QWHCGFSZSA-N 1 0 318.377 1.614 20 5 DDBDRO [NH3+]C[C@@H](NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)C1CC1 ZINC000591359929 355300338 /nfs/dbraw/zinc/30/03/38/355300338.db2.gz SHYDFXHJUHUBLT-CYBMUJFWSA-N 1 0 304.350 1.400 20 5 DDBDRO [NH3+][C@H]1CCCO[C@@H]1C1CCN(c2ncc([N+](=O)[O-])cc2F)CC1 ZINC000591446275 355313565 /nfs/dbraw/zinc/31/35/65/355313565.db2.gz YMPOCBYVPNUVPL-UONOGXRCSA-N 1 0 324.356 1.852 20 5 DDBDRO C[C@@H]([NH3+])CNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000591306412 355285779 /nfs/dbraw/zinc/28/57/79/355285779.db2.gz SBVCPGWPQMKOAW-ZCFIWIBFSA-N 1 0 317.143 1.826 20 5 DDBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@@H]1C[NH2+]CCC1(F)F ZINC000591669689 355357487 /nfs/dbraw/zinc/35/74/87/355357487.db2.gz VVTFJBBWKHRWKS-LBPRGKRZSA-N 1 0 313.304 1.498 20 5 DDBDRO COc1ccc(CC(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000591676547 355360294 /nfs/dbraw/zinc/36/02/94/355360294.db2.gz WYSNIRUSAURUBQ-BXUZGUMPSA-N 1 0 321.377 1.732 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCCC[C@H]2C2CCC2)c1 ZINC000592198751 355534385 /nfs/dbraw/zinc/53/43/85/355534385.db2.gz RUQZTPIGHVQUAO-GJZGRUSLSA-N 1 0 308.382 1.807 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N(CCC[NH3+])CC1CCCC1 ZINC000592551905 355625910 /nfs/dbraw/zinc/62/59/10/355625910.db2.gz NNJQXEUHZMYUEZ-UHFFFAOYSA-N 1 0 308.382 1.915 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@@H](C)CCO ZINC000593107072 355799809 /nfs/dbraw/zinc/79/98/09/355799809.db2.gz GILDHKCGXAPKOF-LBPRGKRZSA-N 1 0 309.366 1.935 20 5 DDBDRO C[N@@H+]1CC[C@]2(CCN(C(=O)Cc3ccc(F)cc3[N+](=O)[O-])C2)C1 ZINC000593161974 355815510 /nfs/dbraw/zinc/81/55/10/355815510.db2.gz FUUCGSMJOISTBE-INIZCTEOSA-N 1 0 321.352 1.831 20 5 DDBDRO C[C@@H]1[C@H](C)N(C(=O)COc2cccc([N+](=O)[O-])c2)[C@@H](C)C[N@@H+]1C ZINC000593186969 355819984 /nfs/dbraw/zinc/81/99/84/355819984.db2.gz BMIJCOFGDXPBLU-XQQFMLRXSA-N 1 0 321.377 1.913 20 5 DDBDRO O=C1[C@H](N2C[C@H]3CC[C@@H](C2)[NH2+]3)CCN1c1cccc([N+](=O)[O-])c1 ZINC000601329671 358500093 /nfs/dbraw/zinc/50/00/93/358500093.db2.gz LWOHHHVCDPUTNI-TYNCELHUSA-N 1 0 316.361 1.136 20 5 DDBDRO [NH3+]CC1(CCNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000593913671 356057221 /nfs/dbraw/zinc/05/72/21/356057221.db2.gz BXSZTNLUNCEHNV-UHFFFAOYSA-N 1 0 307.306 1.182 20 5 DDBDRO COCC[N@H+](C)C[C@H](O)CN[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000593969919 356076038 /nfs/dbraw/zinc/07/60/38/356076038.db2.gz GNYIHCASRJFJJM-CHWSQXEVSA-N 1 0 311.382 1.185 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594417366 356202941 /nfs/dbraw/zinc/20/29/41/356202941.db2.gz BZDBOQOBFZCBPD-WDEREUQCSA-N 1 0 307.354 1.075 20 5 DDBDRO Cc1n[nH]c(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000594418444 356203876 /nfs/dbraw/zinc/20/38/76/356203876.db2.gz JBAFFCZSRDJNJH-GHMZBOCLSA-N 1 0 307.354 1.373 20 5 DDBDRO COc1ccc(CC(=O)N2CCC[C@@H]([NH3+])[C@H]2C)cc1[N+](=O)[O-] ZINC000594626623 356268466 /nfs/dbraw/zinc/26/84/66/356268466.db2.gz RDDHHQNYRXFPQX-ZYHUDNBSSA-N 1 0 307.350 1.484 20 5 DDBDRO C[C@@H]1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@@H]1[NH3+] ZINC000595228771 356412498 /nfs/dbraw/zinc/41/24/98/356412498.db2.gz LAQJHIMEYRJEKD-KOLCDFICSA-N 1 0 321.333 1.175 20 5 DDBDRO COc1ccc(CC(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000595258931 356422995 /nfs/dbraw/zinc/42/29/95/356422995.db2.gz WPBSBXKYFMIQON-YPMHNXCESA-N 1 0 321.377 1.732 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCOC(C3CC3)(C3CC3)C2)n1 ZINC000595822387 356664163 /nfs/dbraw/zinc/66/41/63/356664163.db2.gz SKNDCCQXSGCNRI-UHFFFAOYSA-N 1 0 306.366 1.682 20 5 DDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@H](C)[C@@](C)(CO)C1 ZINC000595880768 356689083 /nfs/dbraw/zinc/68/90/83/356689083.db2.gz ZBVMGICFWAKHGC-HWWQOWPSSA-N 1 0 321.377 1.872 20 5 DDBDRO C[NH2+]C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000237100941 202153418 /nfs/dbraw/zinc/15/34/18/202153418.db2.gz RTADZTVFMKYHLH-UHFFFAOYSA-N 1 0 313.379 1.276 20 5 DDBDRO CC(C)OC[C@H]([NH3+])C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000595958516 356723767 /nfs/dbraw/zinc/72/37/67/356723767.db2.gz RTVRBKNHEXJERD-HNNXBMFYSA-N 1 0 321.377 1.838 20 5 DDBDRO CCOC(=O)c1cc(C(=O)N[C@]2(C)CC[NH2+]C2)cc([N+](=O)[O-])c1 ZINC000595993211 356739139 /nfs/dbraw/zinc/73/91/39/356739139.db2.gz XGUCIUOVYXFUGK-OAHLLOKOSA-N 1 0 321.333 1.253 20 5 DDBDRO Cc1n[nH]c(C(=O)NCC(C)(C)C[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000276914078 213173192 /nfs/dbraw/zinc/17/31/92/213173192.db2.gz VCKUJSSSZNPJST-UHFFFAOYSA-N 1 0 309.370 1.478 20 5 DDBDRO C[NH+](C)C1CCN(CCNc2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596152442 356793743 /nfs/dbraw/zinc/79/37/43/356793743.db2.gz XYGOSAHMAGBUSO-UHFFFAOYSA-N 1 0 309.370 1.133 20 5 DDBDRO O=c1[nH]ccc(NC2CC[NH+]([C@@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000596168217 356800093 /nfs/dbraw/zinc/80/00/93/356800093.db2.gz QUJPXBIQLOSHBH-LLVKDONJSA-N 1 0 308.338 1.361 20 5 DDBDRO CC[NH+](CC)CC[C@@H](CO)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596218939 356819979 /nfs/dbraw/zinc/81/99/79/356819979.db2.gz LDBSYCUJYPZISC-LBPRGKRZSA-N 1 0 324.381 1.198 20 5 DDBDRO CN(CCC[NH+]1CCCC1)c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596227456 356823991 /nfs/dbraw/zinc/82/39/91/356823991.db2.gz YEVAPCGRNBFIGQ-UHFFFAOYSA-N 1 0 306.366 1.616 20 5 DDBDRO C[C@@H]1CN(c2ccc(N)c([N+](=O)[O-])n2)CC[N@@H+](C2CCC2)C1 ZINC000596241230 356829671 /nfs/dbraw/zinc/82/96/71/356829671.db2.gz PQDBRYFSUFYABK-NSHDSACASA-N 1 0 305.382 1.883 20 5 DDBDRO Cc1cc([N+](=O)[O-])cnc1N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000596364610 356864506 /nfs/dbraw/zinc/86/45/06/356864506.db2.gz PPQMUSGNWYLHDV-ZDUSSCGKSA-N 1 0 309.414 1.982 20 5 DDBDRO Cc1nn(C)c(N2CCO[C@H](CCC[NH+](C)C)C2)c1[N+](=O)[O-] ZINC000596565743 356918715 /nfs/dbraw/zinc/91/87/15/356918715.db2.gz FGGJPQJUVVUAFF-GFCCVEGCSA-N 1 0 311.386 1.184 20 5 DDBDRO COC(=O)[C@@H]1OCC[C@@H]1[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000597192445 357089153 /nfs/dbraw/zinc/08/91/53/357089153.db2.gz MMDOHPDZJPWYSR-UUSSSYRCSA-N 1 0 306.318 1.528 20 5 DDBDRO COc1cccc(C(=O)N[C@@H]2CCC[C@H]2[NH+](C)C)c1[N+](=O)[O-] ZINC000597532340 357211988 /nfs/dbraw/zinc/21/19/88/357211988.db2.gz IXUOJICVVMITAF-VXGBXAGGSA-N 1 0 307.350 1.816 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)n1 ZINC000597860242 357362157 /nfs/dbraw/zinc/36/21/57/357362157.db2.gz MLQOYVBJABVMFX-SNVBAGLBSA-N 1 0 309.370 1.414 20 5 DDBDRO CCN(C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)[C@H]1CC[N@H+](C)C1 ZINC000597943877 357392121 /nfs/dbraw/zinc/39/21/21/357392121.db2.gz ADFGMJKDGUNYRA-NSHDSACASA-N 1 0 321.333 1.490 20 5 DDBDRO CCN(C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)[C@@H]1CC[N@H+](C)C1 ZINC000597943876 357393111 /nfs/dbraw/zinc/39/31/11/357393111.db2.gz ADFGMJKDGUNYRA-LLVKDONJSA-N 1 0 321.333 1.490 20 5 DDBDRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000597943245 357393118 /nfs/dbraw/zinc/39/31/18/357393118.db2.gz WCCVIUMJJHBLAH-ZDUSSCGKSA-N 1 0 322.409 1.597 20 5 DDBDRO C[C@H](CCNC(=O)CN(C)c1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000597991291 357408175 /nfs/dbraw/zinc/40/81/75/357408175.db2.gz COUUIZWBIIWZND-GFCCVEGCSA-N 1 0 308.382 1.487 20 5 DDBDRO CCN(C(=O)c1nn(CC)cc1[N+](=O)[O-])[C@@H]1CC[N@H+](CC)C1 ZINC000598041415 357439261 /nfs/dbraw/zinc/43/92/61/357439261.db2.gz UIMPTOBMYCURHW-LLVKDONJSA-N 1 0 309.370 1.368 20 5 DDBDRO COC(=O)c1ccnc(N[C@H](C)C[N@H+](C)C(C)C)c1[N+](=O)[O-] ZINC000598626726 357661326 /nfs/dbraw/zinc/66/13/26/357661326.db2.gz HHNRPKVIMDXJDY-SNVBAGLBSA-N 1 0 310.354 1.917 20 5 DDBDRO CN(C(=O)CN1C[C@H]2CCC[C@@]2([NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC000598684990 357685939 /nfs/dbraw/zinc/68/59/39/357685939.db2.gz ZQAZQRSDGAIEPW-MLGOLLRUSA-N 1 0 318.377 1.371 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CC(Cc3ccsc3)C2)c1 ZINC000598706311 357697416 /nfs/dbraw/zinc/69/74/16/357697416.db2.gz QEKRRNYRPYJKIW-CQSZACIVSA-N 1 0 322.390 1.388 20 5 DDBDRO Cc1ccc(S(=O)(=O)N2CCC[C@@H]([NH3+])C2)c(C)c1[N+](=O)[O-] ZINC000598716847 357702641 /nfs/dbraw/zinc/70/26/41/357702641.db2.gz SWVSJWSSPWJUOP-LLVKDONJSA-N 1 0 313.379 1.323 20 5 DDBDRO COc1cc(C[NH2+][C@@H]2CO[C@H](C3CC3)C2)c([N+](=O)[O-])cc1O ZINC000599007660 357791441 /nfs/dbraw/zinc/79/14/41/357791441.db2.gz SCOBXTQSASOBMX-FZMZJTMJSA-N 1 0 308.334 1.966 20 5 DDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@H](O)[C@@H]2CCCO2)n1 ZINC000599064042 357805631 /nfs/dbraw/zinc/80/56/31/357805631.db2.gz BFNPKVXWWVXNQA-CRWXNKLISA-N 1 0 324.381 1.405 20 5 DDBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCN1CC[C@@H](O)C1 ZINC000599084994 357810541 /nfs/dbraw/zinc/81/05/41/357810541.db2.gz IGQCPERNWSMCSN-UKRRQHHQSA-N 1 0 307.394 1.572 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NCCOCCC[NH3+] ZINC000599590600 357985357 /nfs/dbraw/zinc/98/53/57/357985357.db2.gz QEALNMOTFHKMFS-UHFFFAOYSA-N 1 0 312.326 1.090 20 5 DDBDRO COc1cc(C(=O)N2C[C@H]3CC[C@H]([NH3+])[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000185037489 199799668 /nfs/dbraw/zinc/79/96/68/199799668.db2.gz MUMKBEYOYZSZAO-UTUOFQBUSA-N 1 0 305.334 1.413 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000599894973 358076617 /nfs/dbraw/zinc/07/66/17/358076617.db2.gz ALYVWSKKGTVNLS-WDEREUQCSA-N 1 0 320.349 1.098 20 5 DDBDRO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000599937116 358085207 /nfs/dbraw/zinc/08/52/07/358085207.db2.gz DTRFOQPGDIQBCH-TZMCWYRMSA-N 1 0 323.324 1.015 20 5 DDBDRO O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000600472386 358233634 /nfs/dbraw/zinc/23/36/34/358233634.db2.gz XCNQZXWURXOHOL-GFCCVEGCSA-N 1 0 320.349 1.442 20 5 DDBDRO CCN(CC[NH3+])[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000600718360 358294662 /nfs/dbraw/zinc/29/46/62/358294662.db2.gz WWNRNFHGTSVYDW-JTQLQIEISA-N 1 0 310.354 1.211 20 5 DDBDRO CC[C@@H]1[C@@H](C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000601009628 358380900 /nfs/dbraw/zinc/38/09/00/358380900.db2.gz BIMZDNSWFNDNHD-LSDHHAIUSA-N 1 0 305.378 1.984 20 5 DDBDRO O=[N+]([O-])c1ccccc1OCc1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000600972759 358364404 /nfs/dbraw/zinc/36/44/04/358364404.db2.gz DSDONZIYVQTZMA-LLVKDONJSA-N 1 0 303.322 1.517 20 5 DDBDRO CCCNC(=O)CCNc1ccnc2ccc([N+](=O)[O-])cc21 ZINC000601105609 358404690 /nfs/dbraw/zinc/40/46/90/358404690.db2.gz DVLQJRCLPPTRPL-UHFFFAOYSA-N 1 0 302.334 1.893 20 5 DDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CCC[N@@H+]([C@@H](C)CO)CC1 ZINC000358914486 299279448 /nfs/dbraw/zinc/27/94/48/299279448.db2.gz JIPASOZBPDUOSD-NSHDSACASA-N 1 0 311.386 1.013 20 5 DDBDRO CC[N@@H+]1CCCN(c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)CC1 ZINC000601116120 358409558 /nfs/dbraw/zinc/40/95/58/358409558.db2.gz ONPHZBSZEDOECA-UHFFFAOYSA-N 1 0 321.303 1.879 20 5 DDBDRO Cc1cc(S(=O)(=O)NC[C@H](C)C[NH+](C)C)c([N+](=O)[O-])s1 ZINC000601419244 358543485 /nfs/dbraw/zinc/54/34/85/358543485.db2.gz GSPZTZXYLAZBPB-QMMMGPOBSA-N 1 0 321.424 1.441 20 5 DDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NCCCC[NH3+])cc1OC ZINC000181039705 199244384 /nfs/dbraw/zinc/24/43/84/199244384.db2.gz UMFHFMFPQLYODA-UHFFFAOYSA-N 1 0 311.338 1.471 20 5 DDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000601555360 358599132 /nfs/dbraw/zinc/59/91/32/358599132.db2.gz FCJROHCELVHKFE-UKRRQHHQSA-N 1 0 303.362 1.738 20 5 DDBDRO CC[N@H+](CC(=O)N[C@](C)(CO)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000601782222 358693098 /nfs/dbraw/zinc/69/30/98/358693098.db2.gz XLHWYSVBWFSDBF-MRXNPFEDSA-N 1 0 321.377 1.403 20 5 DDBDRO CCC1([NH+](C)C)CCN(C(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC000601792324 358697493 /nfs/dbraw/zinc/69/74/93/358697493.db2.gz WAZHEJQWOGQBAL-UHFFFAOYSA-N 1 0 309.370 1.275 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]Cc2cccc(F)c2F)c1 ZINC000601969347 358758936 /nfs/dbraw/zinc/75/89/36/358758936.db2.gz QJTZLAKXJNHMHP-NSHDSACASA-N 1 0 312.276 1.220 20 5 DDBDRO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3C[C@@H]4COC[C@@H]4C3)n2)c1 ZINC000601973315 358760527 /nfs/dbraw/zinc/76/05/27/358760527.db2.gz JXUHEMMTFYRJSX-TXEJJXNPSA-N 1 0 316.317 1.723 20 5 DDBDRO O=C(Cc1ccccc1[N+](=O)[O-])N[C@H]1C[C@@H]([NH+]2CCCC2)C1 ZINC000602172761 358862774 /nfs/dbraw/zinc/86/27/74/358862774.db2.gz PLIKVKFHGZKGQW-OKILXGFUSA-N 1 0 303.362 1.880 20 5 DDBDRO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)c1c(F)cccc1[N+](=O)[O-])C2 ZINC000602521497 359024631 /nfs/dbraw/zinc/02/46/31/359024631.db2.gz QRFBIZMUVRYFIZ-BONVTDFDSA-N 1 0 307.325 1.935 20 5 DDBDRO COc1ccc(C(=O)N[C@@H]2CC[NH2+]C23CCC3)cc1[N+](=O)[O-] ZINC000602530281 359029267 /nfs/dbraw/zinc/02/92/67/359029267.db2.gz YNVKYUOXZJJIRC-CYBMUJFWSA-N 1 0 305.334 1.618 20 5 DDBDRO CC(C)[C@H]1C[NH2+]CCN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000602532674 359030809 /nfs/dbraw/zinc/03/08/09/359030809.db2.gz ZRTNGYZKFODBKJ-OAHLLOKOSA-N 1 0 320.393 1.853 20 5 DDBDRO Cn1cc(CN2CC[NH+](CCC(C)(C)C)CC2)c([N+](=O)[O-])n1 ZINC000602450451 358984907 /nfs/dbraw/zinc/98/49/07/358984907.db2.gz VZCUWHZWXSUZLC-UHFFFAOYSA-N 1 0 309.414 1.882 20 5 DDBDRO COCCOC[C@@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602563359 359046653 /nfs/dbraw/zinc/04/66/53/359046653.db2.gz BKZRNPNIMKTQKT-SNVBAGLBSA-N 1 0 309.322 1.877 20 5 DDBDRO C[NH2+]CCOCCNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000602564112 359046899 /nfs/dbraw/zinc/04/68/99/359046899.db2.gz LQLQNGILESNLAH-UHFFFAOYSA-N 1 0 315.757 1.143 20 5 DDBDRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000602491022 359013576 /nfs/dbraw/zinc/01/35/76/359013576.db2.gz MWSCTYODOAPODQ-WDNDVIMCSA-N 1 0 301.346 1.351 20 5 DDBDRO COCC[C@H](COC)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602667221 359113357 /nfs/dbraw/zinc/11/33/57/359113357.db2.gz OCVUDTBLLFOPAO-SNVBAGLBSA-N 1 0 309.322 1.877 20 5 DDBDRO [NH3+][C@@H]1CCCCCN(C(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000602578971 359053559 /nfs/dbraw/zinc/05/35/59/359053559.db2.gz QCQRFUMJCVEJMP-GFCCVEGCSA-N 1 0 307.350 1.704 20 5 DDBDRO CO[C@@H](C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@H]1CCOC1 ZINC000602707376 359138764 /nfs/dbraw/zinc/13/87/64/359138764.db2.gz UUWCSKDQGLBLTR-HZMBPMFUSA-N 1 0 321.333 1.877 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000602724370 359149896 /nfs/dbraw/zinc/14/98/96/359149896.db2.gz KGKVDOUGHSENHS-IYBDPMFKSA-N 1 0 317.345 1.388 20 5 DDBDRO C[C@]12C[N@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@@]1(C)C(=O)NC2=O ZINC000602731567 359154069 /nfs/dbraw/zinc/15/40/69/359154069.db2.gz NHPPDELJUKVNEZ-GASCZTMLSA-N 1 0 303.318 1.079 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000602843194 359231294 /nfs/dbraw/zinc/23/12/94/359231294.db2.gz WERNWIYYNUDZDW-MCIONIFRSA-N 1 0 308.382 1.725 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC2(CCN(C)C2=O)CC1 ZINC000602818751 359213002 /nfs/dbraw/zinc/21/30/02/359213002.db2.gz ONRPDYGVUYNVAG-UHFFFAOYSA-N 1 0 321.381 1.044 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCC1=CC[NH2+]CC1 ZINC000186302880 199940401 /nfs/dbraw/zinc/94/04/01/199940401.db2.gz VUUXIMKDFNRGGP-UHFFFAOYSA-N 1 0 304.350 1.310 20 5 DDBDRO C[NH+](C)C[C@]1(O)CCCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000602894640 359278065 /nfs/dbraw/zinc/27/80/65/359278065.db2.gz YLHVSLIXWVEWRW-MRXNPFEDSA-N 1 0 323.393 1.362 20 5 DDBDRO C[C@@H](C(=O)N[C@H](CO)C[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000603053791 359378279 /nfs/dbraw/zinc/37/82/79/359378279.db2.gz SJTOHIYZWDQHSM-OCCSQVGLSA-N 1 0 321.377 1.271 20 5 DDBDRO CC[N@H+]1[C@H](C)CN(C(=O)COc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000603144063 359433238 /nfs/dbraw/zinc/43/32/38/359433238.db2.gz SAYDYERMWWOVGB-BETUJISGSA-N 1 0 321.377 1.915 20 5 DDBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)n1cc(C[C@@H]2CC[NH2+]C2)nn1 ZINC000603185825 359465596 /nfs/dbraw/zinc/46/55/96/359465596.db2.gz OBNPPLBWRWYEIQ-RYUDHWBXSA-N 1 0 301.350 1.948 20 5 DDBDRO O=[N+]([O-])c1ccc(OCCn2cc(C[C@@H]3CC[NH2+]C3)nn2)cc1 ZINC000603199567 359475018 /nfs/dbraw/zinc/47/50/18/359475018.db2.gz CELIIXWNMNIDJD-LBPRGKRZSA-N 1 0 317.349 1.417 20 5 DDBDRO COC(=O)c1cnc(N[C@@H]2C[C@H]([NH+](C)C)C2(C)C)c([N+](=O)[O-])c1 ZINC000603405061 359620503 /nfs/dbraw/zinc/62/05/03/359620503.db2.gz GQMXPRSVWSXKKH-NEPJUHHUSA-N 1 0 322.365 1.917 20 5 DDBDRO Cn1cc(CN2c3ccccc3CC[C@H]2C[NH3+])c([N+](=O)[O-])n1 ZINC000603428592 359634023 /nfs/dbraw/zinc/63/40/23/359634023.db2.gz KBTQERQDUKEQJF-ZDUSSCGKSA-N 1 0 301.350 1.608 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000237578134 202290359 /nfs/dbraw/zinc/29/03/59/202290359.db2.gz DZDUZUGLNNDKJA-GFCCVEGCSA-N 1 0 309.370 1.124 20 5 DDBDRO Cc1ccc(NCCCNC(=O)[C@@H]2CCCC[NH2+]2)c([N+](=O)[O-])c1 ZINC000237667473 202323897 /nfs/dbraw/zinc/32/38/97/202323897.db2.gz OOUPLWHAXIXYPT-AWEZNQCLSA-N 1 0 320.393 1.964 20 5 DDBDRO O=C(N[C@H]1CCC[NH2+]C1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000237891412 202380602 /nfs/dbraw/zinc/38/06/02/202380602.db2.gz WOWMEINPCYZMLD-NSHDSACASA-N 1 0 315.333 1.262 20 5 DDBDRO CN(CCCC[NH+](C)C)C(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000610112030 360382817 /nfs/dbraw/zinc/38/28/17/360382817.db2.gz RKKDCVRUIZKXIB-UHFFFAOYSA-N 1 0 312.345 1.730 20 5 DDBDRO Cc1nccc([C@@H]2CCC[N@H+](CCn3cc([N+](=O)[O-])cn3)C2)n1 ZINC000610447556 360438490 /nfs/dbraw/zinc/43/84/90/360438490.db2.gz XIOWDHRTZQULRN-CYBMUJFWSA-N 1 0 316.365 1.769 20 5 DDBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC000610304955 360411821 /nfs/dbraw/zinc/41/18/21/360411821.db2.gz ZZNPCOKCLQNHII-GFCCVEGCSA-N 1 0 308.382 1.737 20 5 DDBDRO CC1(C[NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000618724044 363738782 /nfs/dbraw/zinc/73/87/82/363738782.db2.gz IBADKVCYUDGTHJ-UHFFFAOYSA-N 1 0 313.379 1.263 20 5 DDBDRO COC(=O)[C@@H]1CCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611255649 360681022 /nfs/dbraw/zinc/68/10/22/360681022.db2.gz XIYXXHDOTCYQHG-SNVBAGLBSA-N 1 0 322.317 1.361 20 5 DDBDRO COC(=O)c1cc(C)nc(NCC2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000579388053 422761289 /nfs/dbraw/zinc/76/12/89/422761289.db2.gz YQRNTAYMDWVMLX-UHFFFAOYSA-N 1 0 322.365 1.839 20 5 DDBDRO COCC[N@@H+]1CC[C@H](Nc2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC000611704747 360799217 /nfs/dbraw/zinc/79/92/17/360799217.db2.gz DLFNOUJRQIYARG-NSHDSACASA-N 1 0 317.349 1.671 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)n1 ZINC000611616295 360777505 /nfs/dbraw/zinc/77/75/05/360777505.db2.gz UVILJOULOFNASV-STQMWFEESA-N 1 0 308.382 1.498 20 5 DDBDRO Cc1noc(C)c1[C@H](C)[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000612461831 361029232 /nfs/dbraw/zinc/02/92/32/361029232.db2.gz IPCHXQZUDKCPTK-VIFPVBQESA-N 1 0 306.322 1.712 20 5 DDBDRO [NH3+][C@H](CNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C1CC1 ZINC000194729478 201278296 /nfs/dbraw/zinc/27/82/96/201278296.db2.gz RPDJLIFAXZZZJV-SECBINFHSA-N 1 0 319.770 1.264 20 5 DDBDRO CNc1ccc(C(=O)N2CCC([C@H](C)[NH3+])CC2)cc1[N+](=O)[O-] ZINC000566008531 304109905 /nfs/dbraw/zinc/10/99/05/304109905.db2.gz MVNYAZBCJAKZTH-JTQLQIEISA-N 1 0 306.366 1.836 20 5 DDBDRO CC[NH+](CC)[C@@H](C)CNC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000348861254 283729779 /nfs/dbraw/zinc/72/97/79/283729779.db2.gz GVTKKTUFVUHJGN-ZDUSSCGKSA-N 1 0 322.409 1.878 20 5 DDBDRO C[NH+](C)Cc1ccc(CNC(=O)c2c[nH]nc2[N+](=O)[O-])cc1F ZINC000619789752 364150914 /nfs/dbraw/zinc/15/09/14/364150914.db2.gz INEOFQOWOYTJCY-UHFFFAOYSA-N 1 0 321.312 1.449 20 5 DDBDRO CCC[C@H]1C[NH2+]CCN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000359198904 299354704 /nfs/dbraw/zinc/35/47/04/299354704.db2.gz OQSGDLWSAFSXBI-ZDUSSCGKSA-N 1 0 321.377 1.964 20 5 DDBDRO C[NH2+][C@H](C)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000261564489 203076939 /nfs/dbraw/zinc/07/69/39/203076939.db2.gz CSJBZJOIASOXES-SSDOTTSWSA-N 1 0 307.759 1.134 20 5 DDBDRO O=[N+]([O-])c1cccc(-c2noc(CN3C[C@H]4C[NH2+]C[C@@H]4C3)n2)c1 ZINC000359287612 299396515 /nfs/dbraw/zinc/39/65/15/299396515.db2.gz YHCDMWKSWDSGIO-VXGBXAGGSA-N 1 0 315.333 1.296 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+](CCO)CCN1CCOCC1 ZINC000349958597 284119176 /nfs/dbraw/zinc/11/91/76/284119176.db2.gz BGHNILMKQBTHHX-UHFFFAOYSA-N 1 0 323.393 1.030 20 5 DDBDRO Cc1nn(CCC(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])c(C)c1[N+](=O)[O-] ZINC000261879400 203142429 /nfs/dbraw/zinc/14/24/29/203142429.db2.gz TXDFTPKEQGVHAJ-MFKMUULPSA-N 1 0 323.397 1.384 20 5 DDBDRO O=C(CC[C@@H]1CC[NH2+]C1)NCCNc1ccccc1[N+](=O)[O-] ZINC000261864667 203137494 /nfs/dbraw/zinc/13/74/94/203137494.db2.gz QAAFIEBKNKSNDO-GFCCVEGCSA-N 1 0 306.366 1.513 20 5 DDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000262254961 203243240 /nfs/dbraw/zinc/24/32/40/203243240.db2.gz SYWWNSPITHEMEN-AWEZNQCLSA-N 1 0 306.366 1.814 20 5 DDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C1(C[NH3+])CCOCC1 ZINC000262374048 203277179 /nfs/dbraw/zinc/27/71/79/203277179.db2.gz XRSKMVCCYYPTSI-UHFFFAOYSA-N 1 0 307.350 1.309 20 5 DDBDRO C[NH+](C)C(C)(C)CNC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000264599865 204021624 /nfs/dbraw/zinc/02/16/24/204021624.db2.gz VRZMKZDBVHLKSP-UHFFFAOYSA-N 1 0 323.349 1.243 20 5 DDBDRO C[C@@H](Cn1cccn1)[NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000264887425 204240729 /nfs/dbraw/zinc/24/07/29/204240729.db2.gz SKAVQUWZVZPWHH-RYUDHWBXSA-N 1 0 317.349 1.797 20 5 DDBDRO CC[C@@H]1CN(c2ccc([N+](=O)[O-])c(OC)c2)CC[N@@H+]1C[C@@H](C)O ZINC000266392083 205313609 /nfs/dbraw/zinc/31/36/09/205313609.db2.gz OEAXAAZFFRTDEK-CHWSQXEVSA-N 1 0 323.393 1.885 20 5 DDBDRO CC(C)[N@@H+](Cc1ccco1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266507271 205396112 /nfs/dbraw/zinc/39/61/12/205396112.db2.gz CEPXAMRFKBBVKY-ZDUSSCGKSA-N 1 0 308.338 1.656 20 5 DDBDRO C[NH+]1C[C@H]2CN(C(=O)C(C)(C)c3ccccc3[N+](=O)[O-])C[C@@H]2C1 ZINC000351590024 284397593 /nfs/dbraw/zinc/39/75/93/284397593.db2.gz POQGOUMFMCDUNK-STQMWFEESA-N 1 0 317.389 1.892 20 5 DDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[NH2+][C@H](C)[C@H]1C ZINC000262741494 291600614 /nfs/dbraw/zinc/60/06/14/291600614.db2.gz CHQOIWJCQSWVSN-GHMZBOCLSA-N 1 0 313.379 1.274 20 5 DDBDRO CC[N@H+](C)CCNS(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 ZINC000154300255 248301138 /nfs/dbraw/zinc/30/11/38/248301138.db2.gz SKLVUZJADFZOTR-UHFFFAOYSA-N 1 0 319.358 1.272 20 5 DDBDRO Cc1cc(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)cc([N+](=O)[O-])c1 ZINC000307817059 248835951 /nfs/dbraw/zinc/83/59/51/248835951.db2.gz LFQWLQANDUQQHE-JTQLQIEISA-N 1 0 305.256 1.913 20 5 DDBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000274162482 211391544 /nfs/dbraw/zinc/39/15/44/211391544.db2.gz LEUMLQKKVPFGHN-MRXNPFEDSA-N 1 0 319.361 1.576 20 5 DDBDRO COc1ccc(NC(=O)C[NH2+][C@@H](C)[C@@H](C)CO)c([N+](=O)[O-])c1 ZINC000274084192 211340790 /nfs/dbraw/zinc/34/07/90/211340790.db2.gz SOMHRNSMYCITHP-UWVGGRQHSA-N 1 0 311.338 1.148 20 5 DDBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(C)cc([N+](=O)[O-])c1N ZINC000104831901 194045310 /nfs/dbraw/zinc/04/53/10/194045310.db2.gz LIDJXVVKQQSYNO-LLVKDONJSA-N 1 0 306.366 1.700 20 5 DDBDRO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000285009155 218255410 /nfs/dbraw/zinc/25/54/10/218255410.db2.gz DPRQRNWEJSPHEP-UHFFFAOYSA-N 1 0 321.381 1.656 20 5 DDBDRO CC[NH+]1CCN([C@@H]2CCN(c3ccc([N+](=O)[O-])cc3F)C2)CC1 ZINC000106478490 194218251 /nfs/dbraw/zinc/21/82/51/194218251.db2.gz RPWKGAUENWWNGY-CQSZACIVSA-N 1 0 322.384 1.950 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000285090708 218286740 /nfs/dbraw/zinc/28/67/40/218286740.db2.gz DMCBIJLQIVNOMV-HUUCEWRRSA-N 1 0 319.361 1.448 20 5 DDBDRO CC[NH+](CC)CCN(CC(C)C)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000285252681 218352758 /nfs/dbraw/zinc/35/27/58/218352758.db2.gz ZULKYHYTNXBRMT-UHFFFAOYSA-N 1 0 311.386 1.758 20 5 DDBDRO CO[C@H]1C[C@@H](CN(C)C(=O)c2cc(C)ccc2[N+](=O)[O-])[N@H+](C)C1 ZINC000285285535 218365364 /nfs/dbraw/zinc/36/53/64/218365364.db2.gz QVOMBGUTAJIFDL-STQMWFEESA-N 1 0 321.377 1.694 20 5 DDBDRO CC(C)[C@@H](CO)C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000579592476 422798874 /nfs/dbraw/zinc/79/88/74/422798874.db2.gz VFZSCJXBGLHRPZ-OCCSQVGLSA-N 1 0 312.366 1.189 20 5 DDBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000110994217 194378216 /nfs/dbraw/zinc/37/82/16/194378216.db2.gz QWOLEIHLDBJRKO-ZDUSSCGKSA-N 1 0 320.393 1.997 20 5 DDBDRO O=C(COc1ccccc1[N+](=O)[O-])N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000567672157 304232591 /nfs/dbraw/zinc/23/25/91/304232591.db2.gz IHSNMCGDYYBXPZ-MRXNPFEDSA-N 1 0 319.361 1.576 20 5 DDBDRO C[C@H](NC(=O)CNc1ccccc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000269175483 207296192 /nfs/dbraw/zinc/29/61/92/207296192.db2.gz GVNVKTRCLLPAPA-RYUDHWBXSA-N 1 0 306.366 1.511 20 5 DDBDRO C[C@@H](CNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000294526590 224071740 /nfs/dbraw/zinc/07/17/40/224071740.db2.gz WUYKIAHIUPZFBK-NSHDSACASA-N 1 0 307.350 1.624 20 5 DDBDRO C[NH2+]C(C)(C)CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000269979592 208031600 /nfs/dbraw/zinc/03/16/00/208031600.db2.gz QOMFNBQFVIHUQP-UHFFFAOYSA-N 1 0 301.368 1.408 20 5 DDBDRO CCCc1n[nH]c(C(=O)NC[C@@]2(C)CCC[NH2+]C2)c1[N+](=O)[O-] ZINC000272987958 210368541 /nfs/dbraw/zinc/36/85/41/210368541.db2.gz KHJCAIBMVRZHCC-AWEZNQCLSA-N 1 0 309.370 1.390 20 5 DDBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C1(CO)CCOCC1 ZINC000222271792 285116927 /nfs/dbraw/zinc/11/69/27/285116927.db2.gz YIQXBPVPAQUYNS-UHFFFAOYSA-N 1 0 300.742 1.879 20 5 DDBDRO O=C(NCC1CC1)[C@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000157698273 197209028 /nfs/dbraw/zinc/20/90/28/197209028.db2.gz HXBJSHOREQNDHV-ZDUSSCGKSA-N 1 0 321.381 1.030 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@@H]2CCO[C@H]2c2ccccc2)n1 ZINC000191934945 285168490 /nfs/dbraw/zinc/16/84/90/285168490.db2.gz OKRPHXZYXINCMP-HIFRSBDPSA-N 1 0 302.334 1.911 20 5 DDBDRO C[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1CCC[C@@H]1O ZINC000352657975 285202040 /nfs/dbraw/zinc/20/20/40/285202040.db2.gz CPNFMVGJLPMTBJ-OLZOCXBDSA-N 1 0 318.333 1.990 20 5 DDBDRO O=[N+]([O-])c1ccc(C[NH2+]CCN2CCC(O)CC2)c(Cl)c1 ZINC000294778854 224215569 /nfs/dbraw/zinc/21/55/69/224215569.db2.gz GQDPBPZAXHAZJG-UHFFFAOYSA-N 1 0 313.785 1.795 20 5 DDBDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000352783386 285298345 /nfs/dbraw/zinc/29/83/45/285298345.db2.gz XYLTUYKSUSAAAS-QWRGUYRKSA-N 1 0 309.341 1.827 20 5 DDBDRO CCN1C[C@@H](C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1=O ZINC001120488647 781980015 /nfs/dbraw/zinc/98/00/15/781980015.db2.gz HHMSRKLTCZRDOR-BXUZGUMPSA-N 1 0 307.350 1.086 20 5 DDBDRO CNC(=O)CN1CCC([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000121794912 195349582 /nfs/dbraw/zinc/34/95/82/195349582.db2.gz AHVULSHNIUHOSJ-GFCCVEGCSA-N 1 0 320.393 1.456 20 5 DDBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000425227213 533388975 /nfs/dbraw/zinc/38/89/75/533388975.db2.gz AQLCUFRETNJXII-JTQLQIEISA-N 1 0 322.365 1.498 20 5 DDBDRO COc1cc(C(=O)N2CCC[C@@H](C[NH3+])C2)cc([N+](=O)[O-])c1C ZINC000297436525 533519723 /nfs/dbraw/zinc/51/97/23/533519723.db2.gz UJPYWPRPULESDZ-NSHDSACASA-N 1 0 307.350 1.723 20 5 DDBDRO Cc1n[nH]c(C(=O)NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000299527527 533665094 /nfs/dbraw/zinc/66/50/94/533665094.db2.gz KRGJKORWWCXHFK-ZUZCIYMTSA-N 1 0 323.397 1.867 20 5 DDBDRO CO[C@@H]1CC[C@@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000569096245 304336463 /nfs/dbraw/zinc/33/64/63/304336463.db2.gz XVRRCNCSOSKTAJ-MRVWCRGKSA-N 1 0 310.350 1.492 20 5 DDBDRO COc1cccc(C(=O)NCC[N@@H+]2CC[C@H](C)C2)c1[N+](=O)[O-] ZINC000569191592 304340006 /nfs/dbraw/zinc/34/00/06/304340006.db2.gz JADXVSBRPYLQNY-NSHDSACASA-N 1 0 307.350 1.675 20 5 DDBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H](C)N1CC[NH+](CC)CC1 ZINC000360960360 299783219 /nfs/dbraw/zinc/78/32/19/299783219.db2.gz KUBXSIUFUJEOLK-GFCCVEGCSA-N 1 0 324.429 1.558 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1CCC(=O)N(C)C1=O ZINC000570793331 304423143 /nfs/dbraw/zinc/42/31/43/304423143.db2.gz SGAUGILOCLGGPY-MFKMUULPSA-N 1 0 305.334 1.701 20 5 DDBDRO C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1cc(F)cc([N+](=O)[O-])c1N)C2 ZINC000073995312 406899462 /nfs/dbraw/zinc/89/94/62/406899462.db2.gz WLZMRVLRXMVKON-WDEREUQCSA-N 1 0 322.340 1.625 20 5 DDBDRO CC(=O)c1ccc(N[C@@H](C)CN2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000078543666 407032697 /nfs/dbraw/zinc/03/26/97/407032697.db2.gz IZNSFHHVHZAYAN-LBPRGKRZSA-N 1 0 320.393 1.845 20 5 DDBDRO Cc1cc(C(=O)NCCCC[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000047215323 407071840 /nfs/dbraw/zinc/07/18/40/407071840.db2.gz YCXGDJIUMWLWCG-UHFFFAOYSA-N 1 0 321.377 1.745 20 5 DDBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000570929616 304427423 /nfs/dbraw/zinc/42/74/23/304427423.db2.gz KYWQZEKTCUNJMI-VHSXEESVSA-N 1 0 318.337 1.031 20 5 DDBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@@]1(O)CCOC1)C1CC1 ZINC000090848508 407172090 /nfs/dbraw/zinc/17/20/90/407172090.db2.gz PVKFMZQYTAHQQW-ZBFHGGJFSA-N 1 0 306.362 1.657 20 5 DDBDRO C[C@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)CS(C)(=O)=O ZINC000180438383 306694835 /nfs/dbraw/zinc/69/48/35/306694835.db2.gz CLCDQUCPVLTIQT-MNOVXSKESA-N 1 0 300.380 1.926 20 5 DDBDRO CC[C@H](C)[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000067118876 407267338 /nfs/dbraw/zinc/26/73/38/407267338.db2.gz CMEAPEWZXJZZIR-VIFPVBQESA-N 1 0 321.424 1.665 20 5 DDBDRO Cc1nn(C)c(C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000127226704 407431139 /nfs/dbraw/zinc/43/11/39/407431139.db2.gz FJFGNUCSJKHQTG-LBPRGKRZSA-N 1 0 321.381 1.195 20 5 DDBDRO [NH3+]C[C@@H]1CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000178568086 407497725 /nfs/dbraw/zinc/49/77/25/407497725.db2.gz UREYUOFWGBCOEB-LBPRGKRZSA-N 1 0 306.366 1.594 20 5 DDBDRO CC(C)CN(CC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000185501530 407441347 /nfs/dbraw/zinc/44/13/47/407441347.db2.gz QJZTVZNAUVXDSS-UHFFFAOYSA-N 1 0 309.370 1.232 20 5 DDBDRO CC(C)[N@H+](CCCS(N)(=O)=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000170913951 407555586 /nfs/dbraw/zinc/55/55/86/407555586.db2.gz ZBFZLCWKGHBUPI-UHFFFAOYSA-N 1 0 315.395 1.484 20 5 DDBDRO C[NH+](C)C1(CNC(=O)Nc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000113963989 407533239 /nfs/dbraw/zinc/53/32/39/407533239.db2.gz KKHHZHQBUQMLPZ-UHFFFAOYSA-N 1 0 322.365 1.827 20 5 DDBDRO CCC[NH2+]CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000261600308 407547155 /nfs/dbraw/zinc/54/71/55/407547155.db2.gz BJEPYPDSTPBYIR-UHFFFAOYSA-N 1 0 309.322 1.095 20 5 DDBDRO O=[N+]([O-])c1cccc(F)c1CN1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000129458243 407611716 /nfs/dbraw/zinc/61/17/16/407611716.db2.gz QGZRAUNSPQGQBF-ZDUSSCGKSA-N 1 0 323.368 1.888 20 5 DDBDRO COCCC[N@H+](C)CCNC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000152404830 407628501 /nfs/dbraw/zinc/62/85/01/407628501.db2.gz BDECBPOLLZTWIK-BQYQJAHWSA-N 1 0 321.377 1.693 20 5 DDBDRO COC(=O)C[C@H]1CCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000178873024 407637460 /nfs/dbraw/zinc/63/74/60/407637460.db2.gz ADSHRAPYWOAJGN-OCCSQVGLSA-N 1 0 308.334 1.656 20 5 DDBDRO CCCN(C(=O)c1ccc([N+](=O)[O-])c(OC)c1)[C@@H]1CC[NH2+]C1 ZINC000178905838 407649541 /nfs/dbraw/zinc/64/95/41/407649541.db2.gz KUGWFCGHRVWCBA-GFCCVEGCSA-N 1 0 307.350 1.818 20 5 DDBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000261915455 407668177 /nfs/dbraw/zinc/66/81/77/407668177.db2.gz QSGRSVCNNLWVRK-CQSZACIVSA-N 1 0 319.365 1.106 20 5 DDBDRO COC(=O)C[C@H]1CCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000179148136 407736770 /nfs/dbraw/zinc/73/67/70/407736770.db2.gz UODBSBRXOLKICN-GFCCVEGCSA-N 1 0 321.333 1.221 20 5 DDBDRO CCc1n[nH]c(C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000171665887 407736765 /nfs/dbraw/zinc/73/67/65/407736765.db2.gz IWGMZDQSEQZIGT-LLVKDONJSA-N 1 0 323.397 1.731 20 5 DDBDRO CCOC(=O)C[C@](C)([NH2+]CCn1ccc([N+](=O)[O-])n1)C(C)C ZINC000186681362 407740857 /nfs/dbraw/zinc/74/08/57/407740857.db2.gz RCHDYKCUZJEKND-AWEZNQCLSA-N 1 0 312.370 1.749 20 5 DDBDRO C[NH+](C)[C@]1(CNC(=O)c2cccc([N+](=O)[O-])c2)CCSC1 ZINC000267092302 407747973 /nfs/dbraw/zinc/74/79/73/407747973.db2.gz ITXGEQCKIAZORE-AWEZNQCLSA-N 1 0 309.391 1.762 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1CN1CC[NH2+]C[C@H]1c1cccc(F)c1 ZINC000262215204 407766191 /nfs/dbraw/zinc/76/61/91/407766191.db2.gz MBPJDOYXHYSLQC-ZDUSSCGKSA-N 1 0 319.340 1.614 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)CC[NH+](C)C ZINC000267166750 407775801 /nfs/dbraw/zinc/77/58/01/407775801.db2.gz SRMWVCZZGSZOIN-UHFFFAOYSA-N 1 0 301.368 1.085 20 5 DDBDRO CN(CC(=O)N[C@](C)(C[NH3+])C1CC1)c1ccccc1[N+](=O)[O-] ZINC000237076450 407793776 /nfs/dbraw/zinc/79/37/76/407793776.db2.gz FRWDDTKGOUZHPP-OAHLLOKOSA-N 1 0 306.366 1.275 20 5 DDBDRO C[C@@H](CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)[NH+](C)C ZINC000298301488 286874628 /nfs/dbraw/zinc/87/46/28/286874628.db2.gz BOXVCDSCJAEBRM-VIFPVBQESA-N 1 0 309.322 1.046 20 5 DDBDRO Nc1c(C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000267245805 407806229 /nfs/dbraw/zinc/80/62/29/407806229.db2.gz JVSBXCOGAMMUFB-GFCCVEGCSA-N 1 0 318.377 1.877 20 5 DDBDRO C[C@@H]1[NH2+]CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000262782432 407927952 /nfs/dbraw/zinc/92/79/52/407927952.db2.gz LSMIWGQSSIFKNY-STQMWFEESA-N 1 0 320.393 1.996 20 5 DDBDRO CC[NH+](CC)CCNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000189555461 408049436 /nfs/dbraw/zinc/04/94/36/408049436.db2.gz WTVLDKNVGAVOQV-UHFFFAOYSA-N 1 0 315.395 1.752 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCO[C@H]2CCC[C@H]21 ZINC000273084926 408049689 /nfs/dbraw/zinc/04/96/89/408049689.db2.gz YOOSLURCAYKTKK-NFAWXSAZSA-N 1 0 322.361 1.588 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)COc3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000272577422 407991878 /nfs/dbraw/zinc/99/18/78/407991878.db2.gz GJQORMICQLVFOZ-DOMZBBRYSA-N 1 0 319.361 1.526 20 5 DDBDRO CCOc1ccc(C(=O)N[C@H]2CC[NH2+][C@@H](C)C2)cc1[N+](=O)[O-] ZINC000262984580 407993708 /nfs/dbraw/zinc/99/37/08/407993708.db2.gz ZDKNLZNUPXIUOP-JQWIXIFHSA-N 1 0 307.350 1.864 20 5 DDBDRO COc1cc(C[NH2+][C@H]2C[C@@H](O)C2(C)C)c([N+](=O)[O-])cc1OC ZINC000189349566 408008706 /nfs/dbraw/zinc/00/87/06/408008706.db2.gz SCGOMUBRHJZLAY-UONOGXRCSA-N 1 0 310.350 1.861 20 5 DDBDRO Cc1nc(N2CCN(CCOC(C)C)CC2)ccc1[N+](=O)[O-] ZINC000268524913 408084078 /nfs/dbraw/zinc/08/40/78/408084078.db2.gz VTSZLEIQVCHOCT-UHFFFAOYSA-N 1 0 308.382 1.845 20 5 DDBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)CC1(O)CCOCC1 ZINC000189755413 408099813 /nfs/dbraw/zinc/09/98/13/408099813.db2.gz YFCMFIUNTFKPIZ-UHFFFAOYSA-N 1 0 310.350 1.447 20 5 DDBDRO Cc1nn(C)c(C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000124288551 161829027 /nfs/dbraw/zinc/82/90/27/161829027.db2.gz AAOZNJCQEQEYTK-LLVKDONJSA-N 1 0 323.397 1.487 20 5 DDBDRO COc1ccc(CNC(=O)CC2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000269270156 408243880 /nfs/dbraw/zinc/24/38/80/408243880.db2.gz WZUUQRFWSFCBRX-UHFFFAOYSA-N 1 0 307.350 1.609 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)N(C)C[C@H]2CC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000269330188 408270263 /nfs/dbraw/zinc/27/02/63/408270263.db2.gz DYUBOUYKGAWOFI-JTQLQIEISA-N 1 0 309.370 1.465 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)c1[N+](=O)[O-] ZINC000269333255 408272798 /nfs/dbraw/zinc/27/27/98/408272798.db2.gz AUCGKSRMPUCEEX-MNOVXSKESA-N 1 0 323.397 1.900 20 5 DDBDRO C[C@H](O)CN1CCN(c2ncc(Cl)cc2[N+](=O)[O-])C[C@@H]1C ZINC000269338962 408274073 /nfs/dbraw/zinc/27/40/73/408274073.db2.gz BOFAGCIDDGIGHX-UWVGGRQHSA-N 1 0 314.773 1.535 20 5 DDBDRO COC1(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CC[NH2+]CC1 ZINC000157472543 408302696 /nfs/dbraw/zinc/30/26/96/408302696.db2.gz KCURYTJDEJRYDV-UHFFFAOYSA-N 1 0 319.361 1.248 20 5 DDBDRO Cc1cccc(N2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000176199553 408307665 /nfs/dbraw/zinc/30/76/65/408307665.db2.gz RMQGQEKAXNONNW-UHFFFAOYSA-N 1 0 315.377 1.922 20 5 DDBDRO CC[C@H](CO)[NH+]1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000269645955 408371948 /nfs/dbraw/zinc/37/19/48/408371948.db2.gz KZSWYXZWCNFPMO-GDBMZVCRSA-N 1 0 323.393 1.017 20 5 DDBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000183646986 408460538 /nfs/dbraw/zinc/46/05/38/408460538.db2.gz JZYVFDJWOQDEMM-NSHDSACASA-N 1 0 307.354 1.795 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000159755258 408429000 /nfs/dbraw/zinc/42/90/00/408429000.db2.gz MZGACBMXXQHKJC-CQSZACIVSA-N 1 0 320.393 1.317 20 5 DDBDRO C[N@H+](CCOc1ccccc1)CCn1cc([N+](=O)[O-])ccc1=O ZINC000159724436 408429303 /nfs/dbraw/zinc/42/93/03/408429303.db2.gz CGUGBZVAMQVDMN-UHFFFAOYSA-N 1 0 317.345 1.767 20 5 DDBDRO C[C@H]([NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000177261859 408565802 /nfs/dbraw/zinc/56/58/02/408565802.db2.gz SPJHVJPSJIGWRC-JTQLQIEISA-N 1 0 313.379 1.261 20 5 DDBDRO CCCc1n[nH]c(C(=O)N2CCC[C@@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000264677132 408543931 /nfs/dbraw/zinc/54/39/31/408543931.db2.gz NWEIAFMODPHHJM-SNVBAGLBSA-N 1 0 309.370 1.437 20 5 DDBDRO C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000177536935 408648736 /nfs/dbraw/zinc/64/87/36/408648736.db2.gz NQTDGHSRCPQENP-CYBMUJFWSA-N 1 0 320.349 1.086 20 5 DDBDRO CC[C@H]([NH2+]CCNS(=O)(=O)CC)c1cccc([N+](=O)[O-])c1 ZINC000177804265 408717872 /nfs/dbraw/zinc/71/78/72/408717872.db2.gz UWIMQMUCJQGEOY-ZDUSSCGKSA-N 1 0 315.395 1.575 20 5 DDBDRO [NH3+][C@H]1CC[C@@H]2CN(C(=O)CCOc3ccccc3[N+](=O)[O-])C[C@@H]12 ZINC000184948872 408723643 /nfs/dbraw/zinc/72/36/43/408723643.db2.gz XMQUSZXBTXSXTH-UPJWGTAASA-N 1 0 319.361 1.559 20 5 DDBDRO C[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC[C@H]1O ZINC000249542582 408738808 /nfs/dbraw/zinc/73/88/08/408738808.db2.gz FJBBQDJVHUNRMA-BXUZGUMPSA-N 1 0 307.350 1.626 20 5 DDBDRO CCOC(=O)c1ccnc(N(C)CC[N@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000184785291 408687818 /nfs/dbraw/zinc/68/78/18/408687818.db2.gz GCMOTBUQRYOJNQ-UHFFFAOYSA-N 1 0 322.365 1.697 20 5 DDBDRO CC[N@@H+]1CC[C@H](CNC(=O)Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000162380329 408697488 /nfs/dbraw/zinc/69/74/88/408697488.db2.gz SZSKJWKDQGRHES-CYBMUJFWSA-N 1 0 305.378 1.904 20 5 DDBDRO Nc1c(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000178174447 408783403 /nfs/dbraw/zinc/78/34/03/408783403.db2.gz KTRYHNZXIQNUHN-SNVBAGLBSA-N 1 0 304.350 1.391 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000178209606 408788008 /nfs/dbraw/zinc/78/80/08/408788008.db2.gz GMIPOTMDDMZBRU-SECBINFHSA-N 1 0 303.322 1.758 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H](CCO)c2ccco2)c1 ZINC000185124673 408765038 /nfs/dbraw/zinc/76/50/38/408765038.db2.gz MQQJJFKFCHTZCQ-KBPBESRZSA-N 1 0 306.318 1.935 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000185135984 408768055 /nfs/dbraw/zinc/76/80/55/408768055.db2.gz VNIXVVYXNQXILX-ZWKOPEQDSA-N 1 0 305.334 1.413 20 5 DDBDRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)CNc3ccccc3[N+](=O)[O-])C[C@@H]12 ZINC000185148783 408770364 /nfs/dbraw/zinc/77/03/64/408770364.db2.gz QPEQOQVFNOSDTI-QJPTWQEYSA-N 1 0 304.350 1.202 20 5 DDBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)[N@H+](C)Cc1ccccc1 ZINC000285845340 408875196 /nfs/dbraw/zinc/87/51/96/408875196.db2.gz HUEHMKNQMVPUBP-LLVKDONJSA-N 1 0 317.349 1.568 20 5 DDBDRO CCN(CCC[NH+](C)C)C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000276133101 408822378 /nfs/dbraw/zinc/82/23/78/408822378.db2.gz AFAMDSRSPRIKET-UHFFFAOYSA-N 1 0 308.382 1.807 20 5 DDBDRO Cc1c(C(=O)N2CCO[C@H]3CC[N@@H+](C)C[C@@H]32)cccc1[N+](=O)[O-] ZINC000285953360 408895569 /nfs/dbraw/zinc/89/55/69/408895569.db2.gz WHZJGQCERZADPG-GJZGRUSLSA-N 1 0 319.361 1.448 20 5 DDBDRO O=[N+]([O-])c1cccc(CS(=O)(=O)NCC[NH+]2CCCC2)c1 ZINC000191856515 163206078 /nfs/dbraw/zinc/20/60/78/163206078.db2.gz BUTROZOVZYDMTK-UHFFFAOYSA-N 1 0 313.379 1.110 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CN1CCC[C@H]1C(=O)NC1CC1 ZINC000193962435 163273091 /nfs/dbraw/zinc/27/30/91/163273091.db2.gz JBVNFNUAHZGNLR-AWEZNQCLSA-N 1 0 319.361 1.846 20 5 DDBDRO CO[C@@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000281842915 408941047 /nfs/dbraw/zinc/94/10/47/408941047.db2.gz YPJZGIBJCQSNMP-GXFFZTMASA-N 1 0 307.350 1.693 20 5 DDBDRO C[C@H]1CN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])[C@@H](C)C[NH2+]1 ZINC000237594388 163382012 /nfs/dbraw/zinc/38/20/12/163382012.db2.gz QLVJZVCGSGUPQH-RYUDHWBXSA-N 1 0 306.366 1.240 20 5 DDBDRO O=C(C[NH2+]C[C@@H]1CCCO1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000237888151 163392059 /nfs/dbraw/zinc/39/20/59/163392059.db2.gz CYQITUBWTLOMSZ-ZDUSSCGKSA-N 1 0 305.334 1.253 20 5 DDBDRO CCOC(=O)[C@@](C)(O)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292131705 408987134 /nfs/dbraw/zinc/98/71/34/408987134.db2.gz LGVRPAAZJIZIAI-HNNXBMFYSA-N 1 0 310.350 1.734 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000277693893 408993220 /nfs/dbraw/zinc/99/32/20/408993220.db2.gz ZWTCOLWLEMLUKP-NSHDSACASA-N 1 0 319.361 1.818 20 5 DDBDRO C[C@@H](c1ccccc1)[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)C(N)=O ZINC000292180537 408996074 /nfs/dbraw/zinc/99/60/74/408996074.db2.gz MLOSPINVZFCLBK-SMDDNHRTSA-N 1 0 317.349 1.039 20 5 DDBDRO C[NH+](C)C[C@@](C)(O)CNc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000278141327 409072753 /nfs/dbraw/zinc/07/27/53/409072753.db2.gz AQOJOWZAODSLRJ-NSHDSACASA-N 1 0 322.287 1.733 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC000278865666 409103839 /nfs/dbraw/zinc/10/38/39/409103839.db2.gz LRSGUBJFWFIMEE-HNNXBMFYSA-N 1 0 305.334 1.315 20 5 DDBDRO COC[C@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000279046101 409138282 /nfs/dbraw/zinc/13/82/82/409138282.db2.gz JZLWYVKJCWIUCT-JSGCOSHPSA-N 1 0 323.349 1.317 20 5 DDBDRO CCc1n[nH]c(C(=O)NCCCCC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000293808581 409184422 /nfs/dbraw/zinc/18/44/22/409184422.db2.gz BYGCHDRHKXGJJG-UHFFFAOYSA-N 1 0 323.397 1.876 20 5 DDBDRO C[C@@H]1OCC[C@]12CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)CCO2 ZINC000280337178 409294328 /nfs/dbraw/zinc/29/43/28/409294328.db2.gz HNWBZZUDHJAJQV-RCBQFDQVSA-N 1 0 322.361 1.508 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](CO)C1CCCC1 ZINC000289410362 409266570 /nfs/dbraw/zinc/26/65/70/409266570.db2.gz AYVLVHFOPQEKCG-HNNXBMFYSA-N 1 0 321.377 1.982 20 5 DDBDRO C[N@@H+](Cc1ccccn1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000295256181 409398658 /nfs/dbraw/zinc/39/86/58/409398658.db2.gz ZUCGFNDPNTZDAW-AWEZNQCLSA-N 1 0 317.345 1.862 20 5 DDBDRO Cc1cc(OCC(=O)NCC[N@H+]2CC=CCC2)ccc1[N+](=O)[O-] ZINC000280511371 409335315 /nfs/dbraw/zinc/33/53/15/409335315.db2.gz NEIAFKZFHSELPI-UHFFFAOYSA-N 1 0 319.361 1.660 20 5 DDBDRO Cc1cccc(C(=O)N2CCO[C@@H]3CC[N@@H+](C)C[C@H]32)c1[N+](=O)[O-] ZINC000285350952 409411496 /nfs/dbraw/zinc/41/14/96/409411496.db2.gz ULYQQCFHADZPFB-ZIAGYGMSSA-N 1 0 319.361 1.448 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC=C(c3ccco3)C2)c1 ZINC000285405649 409432691 /nfs/dbraw/zinc/43/26/91/409432691.db2.gz UJPNDHOZOHRXAE-AWEZNQCLSA-N 1 0 318.333 1.535 20 5 DDBDRO C[C@]1(C(N)=O)CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000280751891 409440233 /nfs/dbraw/zinc/44/02/33/409440233.db2.gz NJSKHLWOVPVUHQ-AWEZNQCLSA-N 1 0 304.306 1.433 20 5 DDBDRO C[C@H]([NH2+]C[C@@H](CO)[C@H]1CCOC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285458183 409451514 /nfs/dbraw/zinc/45/15/14/409451514.db2.gz ZUTSFWIJZRAODW-DRZSPHRISA-N 1 0 309.366 1.473 20 5 DDBDRO Nc1ccc(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000317235058 164026790 /nfs/dbraw/zinc/02/67/90/164026790.db2.gz LOVKYIJEMQTMMS-NEPJUHHUSA-N 1 0 304.350 1.534 20 5 DDBDRO COc1cc(NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)ccc1[N+](=O)[O-] ZINC000317768843 164028696 /nfs/dbraw/zinc/02/86/96/164028696.db2.gz QKAMYUGUZPNYOR-STQMWFEESA-N 1 0 307.350 1.879 20 5 DDBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CC[C@H](CO)O2)c(Cl)c1 ZINC000353700602 164124502 /nfs/dbraw/zinc/12/45/02/164124502.db2.gz DGZXQHRNIHHWQU-VXGBXAGGSA-N 1 0 300.742 1.878 20 5 DDBDRO Cc1csc2c1C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CC2 ZINC000374834658 164174926 /nfs/dbraw/zinc/17/49/26/164174926.db2.gz BBGFOCOYFSSXJM-LBPRGKRZSA-N 1 0 322.390 1.580 20 5 DDBDRO CS[C@H]1CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000296285332 409490092 /nfs/dbraw/zinc/49/00/92/409490092.db2.gz MYQWMPKSCVSILQ-ZDUSSCGKSA-N 1 0 321.402 1.921 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[N@@H+](C2CC2)C[C@H](C)C1 ZINC000295454286 409490299 /nfs/dbraw/zinc/49/02/99/409490299.db2.gz WULLYATUGVUAMH-NSHDSACASA-N 1 0 321.381 1.042 20 5 DDBDRO CC[NH+]1CCN([C@H](C)CNC(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000353919337 409563030 /nfs/dbraw/zinc/56/30/30/409563030.db2.gz XTXYHJVFFGYCGO-CYBMUJFWSA-N 1 0 320.393 1.351 20 5 DDBDRO CN(c1nc2sccn2c1[N+](=O)[O-])[C@H]1CC[N@@H+](C2CC2)C1 ZINC000354079589 409636087 /nfs/dbraw/zinc/63/60/87/409636087.db2.gz IXEXWCJLXITCFO-JTQLQIEISA-N 1 0 307.379 1.977 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[N@@H+](C)[C@@H](C)[C@H]1C ZINC000356897308 409703729 /nfs/dbraw/zinc/70/37/29/409703729.db2.gz ZNHDCVPMNGTDII-WDEREUQCSA-N 1 0 309.370 1.041 20 5 DDBDRO Cn1cncc1C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000331668205 409751643 /nfs/dbraw/zinc/75/16/43/409751643.db2.gz UECADFFZUDNNAJ-CHWSQXEVSA-N 1 0 304.354 1.798 20 5 DDBDRO COc1ccc(C[NH2+][C@@H]2CCS(=O)(=O)[C@H]2C)cc1[N+](=O)[O-] ZINC000315447430 409842966 /nfs/dbraw/zinc/84/29/66/409842966.db2.gz JZJHBTNYJFUQAA-GXSJLCMTSA-N 1 0 314.363 1.269 20 5 DDBDRO CCN(CC[NH+]1CCCCCC1)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000346327156 409921086 /nfs/dbraw/zinc/92/10/86/409921086.db2.gz CVWVFEHDNBDYFX-UHFFFAOYSA-N 1 0 309.370 1.656 20 5 DDBDRO C[C@@H](C[NH+]1CCCCC1)Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000357321529 409975100 /nfs/dbraw/zinc/97/51/00/409975100.db2.gz YUKFEOQFIXUPIS-JTQLQIEISA-N 1 0 307.354 1.375 20 5 DDBDRO CN(Cc1nc(-c2c([N+](=O)[O-])ncn2C)no1)[C@H]1CCSC1 ZINC000350893561 410009814 /nfs/dbraw/zinc/00/98/14/410009814.db2.gz WZKCTRRKCPKYDU-QMMMGPOBSA-N 1 0 324.366 1.316 20 5 DDBDRO CC[C@H](C)[NH+]1CCN(C(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000297851364 410022760 /nfs/dbraw/zinc/02/27/60/410022760.db2.gz SSZQGFOGCDYNOR-NSHDSACASA-N 1 0 307.354 1.938 20 5 DDBDRO COC(=O)c1cc(C)nc(N[C@@H]2CCC[C@@H]2[NH+](C)C)c1[N+](=O)[O-] ZINC000342999348 410066089 /nfs/dbraw/zinc/06/60/89/410066089.db2.gz YZCYHXPLAOJDSU-NEPJUHHUSA-N 1 0 322.365 1.979 20 5 DDBDRO Cc1cccc(C[N@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1C ZINC000298236617 410145072 /nfs/dbraw/zinc/14/50/72/410145072.db2.gz IJHGZKDSSORGMO-MRXNPFEDSA-N 1 0 318.377 1.901 20 5 DDBDRO C[C@@H]([NH2+]CCNC(=O)c1cnccn1)c1cccc([N+](=O)[O-])c1 ZINC000346791233 410155904 /nfs/dbraw/zinc/15/59/04/410155904.db2.gz HXDAPITVTYVKMF-LLVKDONJSA-N 1 0 315.333 1.465 20 5 DDBDRO CC[N@@H+]1CC[C@H]2OCCN(Cc3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000339399027 410161506 /nfs/dbraw/zinc/16/15/06/410161506.db2.gz YNBATDFBURBILB-HZPDHXFCSA-N 1 0 305.378 1.890 20 5 DDBDRO Cn1c(C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)ccc1[N+](=O)[O-] ZINC000339465468 410208968 /nfs/dbraw/zinc/20/89/68/410208968.db2.gz HSGSOTCMFIXBDI-ZDUSSCGKSA-N 1 0 320.393 1.737 20 5 DDBDRO CC[C@@H](C)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC1 ZINC000298529101 410275341 /nfs/dbraw/zinc/27/53/41/410275341.db2.gz VJSIOMCLOQAQGW-SNVBAGLBSA-N 1 0 308.338 1.252 20 5 DDBDRO C[C@H]([NH3+])[C@H]1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000351861999 410300232 /nfs/dbraw/zinc/30/02/32/410300232.db2.gz MZPVXINJKRBZMT-JQWIXIFHSA-N 1 0 317.349 1.814 20 5 DDBDRO C[C@H]([NH3+])[C@@H]1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000351861998 410300521 /nfs/dbraw/zinc/30/05/21/410300521.db2.gz MZPVXINJKRBZMT-CMPLNLGQSA-N 1 0 317.349 1.814 20 5 DDBDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)c1c([N+](=O)[O-])cnn1C ZINC000347231568 410404663 /nfs/dbraw/zinc/40/46/63/410404663.db2.gz ROYRXYWWWGKZLH-PHIMTYICSA-N 1 0 309.370 1.321 20 5 DDBDRO CCC[NH+]1CCC(N(C)C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000299058038 410500937 /nfs/dbraw/zinc/50/09/37/410500937.db2.gz IIQCEWLYVOQBRT-UHFFFAOYSA-N 1 0 309.370 1.124 20 5 DDBDRO CC[N@H+](CCNc1ncnc2cccc([N+](=O)[O-])c21)C1CC1 ZINC000347401294 410520922 /nfs/dbraw/zinc/52/09/22/410520922.db2.gz CKYNOAIODKRPTC-UHFFFAOYSA-N 1 0 301.350 2.434 20 5 DDBDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000347662141 410661210 /nfs/dbraw/zinc/66/12/10/410661210.db2.gz YYTVUFAVBCOGGT-NSHDSACASA-N 1 0 322.365 1.248 20 5 DDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NCC(C)(C)C[NH+](C)C ZINC000301116504 410658044 /nfs/dbraw/zinc/65/80/44/410658044.db2.gz PXPJLMGZBDKDLU-UHFFFAOYSA-N 1 0 308.382 1.954 20 5 DDBDRO CC(C)[NH+]1CCC(NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC1 ZINC000330457793 410705591 /nfs/dbraw/zinc/70/55/91/410705591.db2.gz YKNVQDIMYBTYDA-UHFFFAOYSA-N 1 0 323.397 1.515 20 5 DDBDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000330579872 410793740 /nfs/dbraw/zinc/79/37/40/410793740.db2.gz IHOMCXCZHJJCMT-STQMWFEESA-N 1 0 320.393 1.948 20 5 DDBDRO CCOC(=O)c1ccnc(N2CC[N@H+](C)CC[C@@H]2C)c1[N+](=O)[O-] ZINC000348174281 410837047 /nfs/dbraw/zinc/83/70/47/410837047.db2.gz KIPJQQZEKGPNMA-NSHDSACASA-N 1 0 322.365 1.697 20 5 DDBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])nn1C)[N@@H+]1CCC[C@@H](C)C1 ZINC000356150099 410864723 /nfs/dbraw/zinc/86/47/23/410864723.db2.gz HTHWUJYCCXUDRA-GHMZBOCLSA-N 1 0 309.370 1.179 20 5 DDBDRO COC(=O)c1cnc(N2CC[C@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000302792265 410867525 /nfs/dbraw/zinc/86/75/25/410867525.db2.gz ZJJZUQNRHIJLJV-LBPRGKRZSA-N 1 0 320.349 1.451 20 5 DDBDRO C[C@@H]1CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000330836110 410897118 /nfs/dbraw/zinc/89/71/18/410897118.db2.gz KMIAPKLTJKLNKR-MBNYWOFBSA-N 1 0 310.350 1.037 20 5 DDBDRO CC(C)([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccs1 ZINC000348310089 410913100 /nfs/dbraw/zinc/91/31/00/410913100.db2.gz AERRQRMNXVXFDV-LLVKDONJSA-N 1 0 310.379 1.739 20 5 DDBDRO Cn1ccnc1[C@H](NCC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000348342858 410926132 /nfs/dbraw/zinc/92/61/32/410926132.db2.gz ZQTJFHRLOFTJRM-CQSZACIVSA-N 1 0 303.366 1.569 20 5 DDBDRO Cn1nc([N+](=O)[O-])cc1C(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000356447183 411035638 /nfs/dbraw/zinc/03/56/38/411035638.db2.gz NLKOQGDHZWSCDN-UHFFFAOYSA-N 1 0 317.349 1.190 20 5 DDBDRO Cc1cc(OCC(=O)NC[C@@H](C)[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000580691173 422947881 /nfs/dbraw/zinc/94/78/81/422947881.db2.gz CDTDQMINAHGQST-CYBMUJFWSA-N 1 0 321.377 1.883 20 5 DDBDRO Cc1c(NC(=O)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000415656859 224688172 /nfs/dbraw/zinc/68/81/72/224688172.db2.gz UGADEDQLZJQACU-MNOVXSKESA-N 1 0 320.349 1.228 20 5 DDBDRO COc1ccc(CNC(=O)N2CC[C@](C)(C[NH3+])C2)cc1[N+](=O)[O-] ZINC000417202373 225244007 /nfs/dbraw/zinc/24/40/07/225244007.db2.gz XKRHPNTXSFXNAD-OAHLLOKOSA-N 1 0 322.365 1.484 20 5 DDBDRO C[C@@H](C[NH3+])NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000418086989 225576652 /nfs/dbraw/zinc/57/66/52/225576652.db2.gz FLTDLQPWRVBODH-ZETCQYMHSA-N 1 0 320.271 1.760 20 5 DDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000360571448 418467115 /nfs/dbraw/zinc/46/71/15/418467115.db2.gz UULXMJRDEWEVHJ-WBMJQRKESA-N 1 0 318.377 1.607 20 5 DDBDRO NC(=O)c1ccc(N2CC[C@H]([NH+]3CC=CC3)C2)c([N+](=O)[O-])c1 ZINC000360482755 418447276 /nfs/dbraw/zinc/44/72/76/418447276.db2.gz HTVNWZAGLKORFD-LBPRGKRZSA-N 1 0 302.334 1.144 20 5 DDBDRO NC(=O)c1ccc(N2CC[N@@H+]3CCCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000192510220 418523851 /nfs/dbraw/zinc/52/38/51/418523851.db2.gz WWIRTXKAEIRAEB-GFCCVEGCSA-N 1 0 304.350 1.368 20 5 DDBDRO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CC[NH+]2CCC1CC2 ZINC000374850426 418569977 /nfs/dbraw/zinc/56/99/77/418569977.db2.gz LYGKGXZJNFWNII-UHFFFAOYSA-N 1 0 308.313 1.236 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@H]2C2CC[NH2+]CC2)c1 ZINC000361081291 418579701 /nfs/dbraw/zinc/57/97/01/418579701.db2.gz QQNSVGOTLNXFSP-JSGCOSHPSA-N 1 0 319.361 1.721 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)NC2CCC(C[NH+](C)C)CC2)n1 ZINC000191683236 222107942 /nfs/dbraw/zinc/10/79/42/222107942.db2.gz ANZZWWRDVCSLFY-UHFFFAOYSA-N 1 0 323.397 1.661 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)n1 ZINC000191814915 222110339 /nfs/dbraw/zinc/11/03/39/222110339.db2.gz KYURIMWZMSHPGJ-WDEREUQCSA-N 1 0 307.354 1.120 20 5 DDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N[C@@H]1C[C@@H]1C1CC[NH2+]CC1 ZINC000361083378 418581000 /nfs/dbraw/zinc/58/10/00/418581000.db2.gz XXNLZYURXWSJLE-HUUCEWRRSA-N 1 0 303.362 1.642 20 5 DDBDRO C[C@@H](C[NH+]1CCCCCC1)NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000194029882 222169901 /nfs/dbraw/zinc/16/99/01/222169901.db2.gz WWJXOVABXJYHRS-NSHDSACASA-N 1 0 322.365 1.690 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)Cc3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC000375053030 418595645 /nfs/dbraw/zinc/59/56/45/418595645.db2.gz DWUBOMYXJFZFGQ-UKRRQHHQSA-N 1 0 303.362 1.690 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CC[N@H+](C)[C@H]2C1 ZINC000375053878 418596532 /nfs/dbraw/zinc/59/65/32/418596532.db2.gz IJANSJJBAVLURK-RISCZKNCSA-N 1 0 319.361 1.770 20 5 DDBDRO CNC(=O)C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000361628041 418693823 /nfs/dbraw/zinc/69/38/23/418693823.db2.gz GODGRGXJKIHLCC-AWEZNQCLSA-N 1 0 317.349 1.258 20 5 DDBDRO C[C@H]1C[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@@H]1CO ZINC000361658078 418697577 /nfs/dbraw/zinc/69/75/77/418697577.db2.gz XEWVWXRPWDWGSL-GXFFZTMASA-N 1 0 308.334 1.522 20 5 DDBDRO Cc1cccc(CC[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000385806402 418737572 /nfs/dbraw/zinc/73/75/72/418737572.db2.gz QYWAUZVYCCXSPF-OAHLLOKOSA-N 1 0 304.350 1.293 20 5 DDBDRO CCO[C@H]1COCC[C@@H]1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000362009294 418737983 /nfs/dbraw/zinc/73/79/83/418737983.db2.gz APLVABVCAFOGNJ-WFASDCNBSA-N 1 0 310.350 1.757 20 5 DDBDRO Nc1c(C(=O)N2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cccc1[N+](=O)[O-] ZINC000371020718 418756240 /nfs/dbraw/zinc/75/62/40/418756240.db2.gz YXJKUERKDKBUIM-WCQYABFASA-N 1 0 318.377 1.781 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000371446959 418791100 /nfs/dbraw/zinc/79/11/00/418791100.db2.gz IENKFCGEZMSPCE-OLZOCXBDSA-N 1 0 308.382 1.967 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000371544171 418799222 /nfs/dbraw/zinc/79/92/22/418799222.db2.gz DPLVYQAWWQXUDN-UKRRQHHQSA-N 1 0 303.362 1.690 20 5 DDBDRO O=[N+]([O-])c1cnc(N2CCC[N@@H+](C3CCOCC3)CC2)nc1 ZINC000364927608 418823801 /nfs/dbraw/zinc/82/38/01/418823801.db2.gz AGLWPKDCDMBUQG-UHFFFAOYSA-N 1 0 307.354 1.076 20 5 DDBDRO CC[C@@](C)([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C(N)=O ZINC000411391395 418899213 /nfs/dbraw/zinc/89/92/13/418899213.db2.gz OEGHDDVSDWGMDH-CQSZACIVSA-N 1 0 308.338 1.167 20 5 DDBDRO [NH3+][C@H]1CCC[C@@]12CCN(C(=O)COc1cccc([N+](=O)[O-])c1)C2 ZINC000372783496 418901616 /nfs/dbraw/zinc/90/16/16/418901616.db2.gz MMLMOYILOYWMGV-HOCLYGCPSA-N 1 0 319.361 1.704 20 5 DDBDRO CCc1nn(C)c(N2CCC3(CCC[N@@H+]3C)CC2)c1[N+](=O)[O-] ZINC000372876349 418911702 /nfs/dbraw/zinc/91/17/02/418911702.db2.gz HWAGKMNSWGXATO-UHFFFAOYSA-N 1 0 307.398 1.955 20 5 DDBDRO O=C(NC1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1)C1CCC1 ZINC000365840865 418914871 /nfs/dbraw/zinc/91/48/71/418914871.db2.gz NZGWCEOEFURBLP-UHFFFAOYSA-N 1 0 321.381 1.172 20 5 DDBDRO COc1cc(C(=O)N(C)[C@@H](C[NH3+])C2CC2)cc([N+](=O)[O-])c1OC ZINC000423965569 227828614 /nfs/dbraw/zinc/82/86/14/227828614.db2.gz XZBQTLZQADMKOI-LBPRGKRZSA-N 1 0 323.349 1.421 20 5 DDBDRO Cc1ccc([C@H](C)NC(=O)N2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000417853383 419354334 /nfs/dbraw/zinc/35/43/34/419354334.db2.gz PBLGWIDMXPMHOP-LBPRGKRZSA-N 1 0 306.366 1.969 20 5 DDBDRO O=C(NCCC[C@@H]1CCC[NH2+]1)NCCc1cccc([N+](=O)[O-])c1 ZINC000417945192 419406111 /nfs/dbraw/zinc/40/61/11/419406111.db2.gz QGXDYWUASJLNPE-AWEZNQCLSA-N 1 0 320.393 1.969 20 5 DDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@H](C)C[C@@H](CO)C1 ZINC000420950420 419379627 /nfs/dbraw/zinc/37/96/27/419379627.db2.gz WLNMYJIRUJFWIO-JHJVBQTASA-N 1 0 321.377 1.872 20 5 DDBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)C[C@H]1CCC[N@@H+]1C ZINC000420993407 419428897 /nfs/dbraw/zinc/42/88/97/419428897.db2.gz ATBYJVMNQOVPLL-SWLSCSKDSA-N 1 0 320.393 1.948 20 5 DDBDRO C[C@@H](C[NH3+])N(C)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000417990525 419452099 /nfs/dbraw/zinc/45/20/99/419452099.db2.gz MEQBXJJLHUZPOG-VIFPVBQESA-N 1 0 314.773 1.779 20 5 DDBDRO Cc1c(CNC(=O)N(C)C2CC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000418085619 419521027 /nfs/dbraw/zinc/52/10/27/419521027.db2.gz YCWBLAWWKLGBNX-UHFFFAOYSA-N 1 0 306.366 1.797 20 5 DDBDRO Cc1c(CNC(=O)N2CC[C@@](C)(C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000418083911 419521376 /nfs/dbraw/zinc/52/13/76/419521376.db2.gz UGWLAJUTQZSXHU-HNNXBMFYSA-N 1 0 306.366 1.784 20 5 DDBDRO O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N[C@@H]1CCC[NH2+]C1 ZINC000418084211 419521684 /nfs/dbraw/zinc/52/16/84/419521684.db2.gz POJPJZSMVHZOKV-SECBINFHSA-N 1 0 318.337 1.022 20 5 DDBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000421237748 419534310 /nfs/dbraw/zinc/53/43/10/419534310.db2.gz LBQFJLADEOKKBT-CYBMUJFWSA-N 1 0 320.349 1.086 20 5 DDBDRO COCCN(CC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000421761517 419714427 /nfs/dbraw/zinc/71/44/27/419714427.db2.gz IVFVJYPNRBFXOR-UHFFFAOYSA-N 1 0 323.393 1.862 20 5 DDBDRO CC(C)([NH3+])CNC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000418411096 419783088 /nfs/dbraw/zinc/78/30/88/419783088.db2.gz FDLVKKBVJOSFBI-UHFFFAOYSA-N 1 0 321.381 1.164 20 5 DDBDRO C[C@@H](C[NH3+])CNC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000418486618 419830660 /nfs/dbraw/zinc/83/06/60/419830660.db2.gz IOVPINDGNYGSPK-JTQLQIEISA-N 1 0 308.338 1.094 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000430556383 228922114 /nfs/dbraw/zinc/92/21/14/228922114.db2.gz ZAVUHKHSQLJKEM-ABAIWWIYSA-N 1 0 320.393 1.901 20 5 DDBDRO CN(Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@H](O)C[NH3+] ZINC000415047994 419921701 /nfs/dbraw/zinc/92/17/01/419921701.db2.gz BKHIFYQTCHMVFU-CYBMUJFWSA-N 1 0 305.334 1.606 20 5 DDBDRO CC(C)(NC(=O)NC[C@H]1C[NH2+]CCO1)c1ccccc1[N+](=O)[O-] ZINC000418777865 419980222 /nfs/dbraw/zinc/98/02/22/419980222.db2.gz YXSMNODEDHHKPF-LLVKDONJSA-N 1 0 322.365 1.118 20 5 DDBDRO C[NH2+]C[C@@H](C)CN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000423273560 420001389 /nfs/dbraw/zinc/00/13/89/420001389.db2.gz LCSSKPMWICCROM-DOMZBBRYSA-N 1 0 317.393 1.863 20 5 DDBDRO CCCC[C@H](C[NH3+])NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000429612444 420029158 /nfs/dbraw/zinc/02/91/58/420029158.db2.gz QKDZOQYXVZHDCP-SNVBAGLBSA-N 1 0 323.349 1.613 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])c(N2C[C@H](C)[N@@H+](CCO)C[C@@H]2C)n1 ZINC000418994795 420042228 /nfs/dbraw/zinc/04/22/28/420042228.db2.gz IEJFYMGDEXZMRF-STQMWFEESA-N 1 0 308.382 1.498 20 5 DDBDRO COc1cc(C(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)cc([N+](=O)[O-])c1C ZINC000423503971 420063383 /nfs/dbraw/zinc/06/33/83/420063383.db2.gz NFRKKDUUSLZMFN-UWVGGRQHSA-N 1 0 307.350 1.734 20 5 DDBDRO COc1ccc(NC(=O)NC[C@@H]2C[NH2+]CCCO2)cc1[N+](=O)[O-] ZINC000415440295 420066314 /nfs/dbraw/zinc/06/63/14/420066314.db2.gz NYGZOCAWUVXBBJ-NSHDSACASA-N 1 0 324.337 1.103 20 5 DDBDRO [NH3+]CCCN(Cc1ccccc1)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000423620622 420103070 /nfs/dbraw/zinc/10/30/70/420103070.db2.gz JWKZEPYDPOAQSF-UHFFFAOYSA-N 1 0 303.322 1.309 20 5 DDBDRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000423653067 420114943 /nfs/dbraw/zinc/11/49/43/420114943.db2.gz YMPSBCRHFZMONJ-JQWIXIFHSA-N 1 0 315.333 1.342 20 5 DDBDRO CC(C)(NC(=O)C[C@@H]1C[NH2+]CCO1)c1ccc([N+](=O)[O-])cc1 ZINC000430421852 420120082 /nfs/dbraw/zinc/12/00/82/420120082.db2.gz BIMHDHMOXQFJFJ-CYBMUJFWSA-N 1 0 307.350 1.325 20 5 DDBDRO COC(=O)c1cc(NC(=O)N(C)C2C[NH2+]C2)c(C)c([N+](=O)[O-])c1 ZINC000415598776 420120445 /nfs/dbraw/zinc/12/04/45/420120445.db2.gz LGFBSMZEVZEZBL-UHFFFAOYSA-N 1 0 322.321 1.125 20 5 DDBDRO COc1cc(C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc([N+](=O)[O-])c1C ZINC000423531687 420074457 /nfs/dbraw/zinc/07/44/57/420074457.db2.gz TWHISUNRKXCRSD-DRZSPHRISA-N 1 0 319.361 1.721 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000423535851 420075026 /nfs/dbraw/zinc/07/50/26/420075026.db2.gz FRGZQFDPWRMYLZ-GFCCVEGCSA-N 1 0 307.350 1.320 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000415492297 420087936 /nfs/dbraw/zinc/08/79/36/420087936.db2.gz BPLWMKCNLPMTAQ-CABZTGNLSA-N 1 0 308.338 1.723 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000415491777 420088101 /nfs/dbraw/zinc/08/81/01/420088101.db2.gz BJQBBIHEMGKFKA-LLVKDONJSA-N 1 0 324.337 1.185 20 5 DDBDRO C[NH2+]C[C@@H]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430943422 420216575 /nfs/dbraw/zinc/21/65/75/420216575.db2.gz IBAUKWHDANUZTA-NSHDSACASA-N 1 0 322.365 1.083 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)C1(C[NH3+])CCC1 ZINC000420321202 420204217 /nfs/dbraw/zinc/20/42/17/420204217.db2.gz CMXLDUPRBKWBIV-UHFFFAOYSA-N 1 0 306.366 1.655 20 5 DDBDRO CN(CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1(C[NH3+])CCC1 ZINC000420319897 420204670 /nfs/dbraw/zinc/20/46/70/420204670.db2.gz AWPVIGQHDDEZDP-UHFFFAOYSA-N 1 0 318.377 1.297 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000430929485 420211375 /nfs/dbraw/zinc/21/13/75/420211375.db2.gz XJRKUWALTJKVPL-CHWSQXEVSA-N 1 0 320.393 1.914 20 5 DDBDRO CC(C)C[C@@H](C[NH3+])Nc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000420183653 420143836 /nfs/dbraw/zinc/14/38/36/420143836.db2.gz IIJDDKASIMVCBK-NSHDSACASA-N 1 0 305.338 2.430 20 5 DDBDRO C[NH2+]C[C@@H]1CCCN1CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000430587893 420148075 /nfs/dbraw/zinc/14/80/75/420148075.db2.gz BFNZWICEGSIFPC-NSHDSACASA-N 1 0 322.365 1.226 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)CC(C)(C)C[NH3+] ZINC000430590739 420149332 /nfs/dbraw/zinc/14/93/32/420149332.db2.gz INPCMSWKAIDBTF-UHFFFAOYSA-N 1 0 308.382 1.758 20 5 DDBDRO COc1ccc(OCCN2CC[C@H]3CC[C@@H](C2)[NH2+]3)c([N+](=O)[O-])c1 ZINC000430592945 420151230 /nfs/dbraw/zinc/15/12/30/420151230.db2.gz RHJIEABWYKWKAI-OLZOCXBDSA-N 1 0 321.377 1.809 20 5 DDBDRO COC(=O)c1cc(C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)cc([N+](=O)[O-])c1 ZINC000423743442 420154884 /nfs/dbraw/zinc/15/48/84/420154884.db2.gz LVSJWDAUSBAXBY-SKDRFNHKSA-N 1 0 321.333 1.239 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000430969210 420228530 /nfs/dbraw/zinc/22/85/30/420228530.db2.gz YVGXIRYZTCTHOJ-VXGBXAGGSA-N 1 0 306.366 1.524 20 5 DDBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430967258 420228973 /nfs/dbraw/zinc/22/89/73/420228973.db2.gz REJNYMNSDSEULT-WOPDTQHZSA-N 1 0 306.366 1.591 20 5 DDBDRO C[C@H](C(=O)NCCn1cc([N+](=O)[O-])cn1)[C@H]([NH3+])c1ccccc1 ZINC000423891760 420247422 /nfs/dbraw/zinc/24/74/22/420247422.db2.gz BUURMTVJKPAEPY-FZMZJTMJSA-N 1 0 317.349 1.244 20 5 DDBDRO C[C@H]1CN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@@H](C)C[NH2+]1 ZINC000420400652 420263696 /nfs/dbraw/zinc/26/36/96/420263696.db2.gz PDGKAJLSYKQBKS-RYUDHWBXSA-N 1 0 318.377 1.166 20 5 DDBDRO C[C@@H]1C[NH2+][C@@H](C)CN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000420406981 420265916 /nfs/dbraw/zinc/26/59/16/420265916.db2.gz VAUHPIGYQRXYMU-NWDGAFQWSA-N 1 0 306.366 1.606 20 5 DDBDRO COc1cc(C(=O)N(C)[C@H](C[NH3+])C2CC2)cc([N+](=O)[O-])c1C ZINC000423946873 420279654 /nfs/dbraw/zinc/27/96/54/420279654.db2.gz KCZLLQZCIUVECK-CYBMUJFWSA-N 1 0 307.350 1.721 20 5 DDBDRO Nc1c(C(=O)N2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000423955989 420282919 /nfs/dbraw/zinc/28/29/19/420282919.db2.gz AAZFLAAMYSQRKW-WCQYABFASA-N 1 0 318.377 1.781 20 5 DDBDRO O=[N+]([O-])c1cccc(-c2noc(CN3CC[C@@H]4C[NH2+]C[C@@H]43)n2)c1 ZINC000420337363 420218359 /nfs/dbraw/zinc/21/83/59/420218359.db2.gz JXMVERPCUKFYFP-YPMHNXCESA-N 1 0 315.333 1.439 20 5 DDBDRO COc1cc(C(=O)N2CCCO[C@H](C[NH3+])C2)cc([N+](=O)[O-])c1C ZINC000424016856 420308136 /nfs/dbraw/zinc/30/81/36/420308136.db2.gz FTTCMUFDIVSYGQ-GFCCVEGCSA-N 1 0 323.349 1.102 20 5 DDBDRO Cc1cc(NCC2(CC(N)=O)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000420608648 420331178 /nfs/dbraw/zinc/33/11/78/420331178.db2.gz HQMCUDXMHPQPEA-UHFFFAOYSA-N 1 0 314.345 1.941 20 5 DDBDRO COC(=O)CC1CC([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000425334712 420355169 /nfs/dbraw/zinc/35/51/69/420355169.db2.gz HAXVVSUAFYQASZ-UHFFFAOYSA-N 1 0 318.333 1.902 20 5 DDBDRO O=C(NCCNc1ccc([N+](=O)[O-])cc1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000435907034 420294162 /nfs/dbraw/zinc/29/41/62/420294162.db2.gz NLCIJTUGSACEJB-MLGOLLRUSA-N 1 0 318.377 1.513 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NCC(C)(C)[NH3+])c1 ZINC000420449550 420295232 /nfs/dbraw/zinc/29/52/32/420295232.db2.gz KGFSTORMUXKJEG-UHFFFAOYSA-N 1 0 301.368 1.227 20 5 DDBDRO O=C(NC[C@@H]1C[NH2+]CCO1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000423994077 420296948 /nfs/dbraw/zinc/29/69/48/420296948.db2.gz RYDWJLGWGPXRAG-NSHDSACASA-N 1 0 321.358 1.528 20 5 DDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)C1CC([NH3+])C1 ZINC000420467090 420304097 /nfs/dbraw/zinc/30/40/97/420304097.db2.gz MYWZYDQUBFDRPN-UHFFFAOYSA-N 1 0 313.379 1.267 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[NH2+][C@@H](C)[C@H]1C ZINC000436059034 420304645 /nfs/dbraw/zinc/30/46/45/420304645.db2.gz JUSSJGLNJLAWOE-WDEREUQCSA-N 1 0 322.365 1.224 20 5 DDBDRO COc1cccc(C(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC000424010058 420304907 /nfs/dbraw/zinc/30/49/07/420304907.db2.gz XOSUDQMRCVVKRK-WDEREUQCSA-N 1 0 307.350 1.660 20 5 DDBDRO CO[C@@H](C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1)C1CC1 ZINC000425470167 420392668 /nfs/dbraw/zinc/39/26/68/420392668.db2.gz FJOSAYSCCXYVJM-AWEZNQCLSA-N 1 0 306.366 1.537 20 5 DDBDRO COc1cccc(C(=O)NCCNc2cc[nH+]cc2)c1[N+](=O)[O-] ZINC000444754593 230131223 /nfs/dbraw/zinc/13/12/23/230131223.db2.gz UIUNLKRFQJCXAN-UHFFFAOYSA-N 1 0 316.317 1.262 20 5 DDBDRO CC[C@H]([NH3+])CNC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000417730532 420462341 /nfs/dbraw/zinc/46/23/41/420462341.db2.gz QZDSEDPJDVHEEY-ZDUSSCGKSA-N 1 0 308.382 1.954 20 5 DDBDRO C[NH2+]C[C@H]1CCN(S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])C1 ZINC000440443130 420576310 /nfs/dbraw/zinc/57/63/10/420576310.db2.gz ISDBAQKRRCWOSX-LLVKDONJSA-N 1 0 313.379 1.133 20 5 DDBDRO C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC[C@H]1[NH3+] ZINC000440442036 420577009 /nfs/dbraw/zinc/57/70/09/420577009.db2.gz KYHORKBJKWHMPX-HTQZYQBOSA-N 1 0 305.381 1.014 20 5 DDBDRO C[NH2+]CCN(C)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000440836995 420611792 /nfs/dbraw/zinc/61/17/92/420611792.db2.gz VWVPIOATRDLRIM-UHFFFAOYSA-N 1 0 307.759 1.088 20 5 DDBDRO CC(C)[C@@H]1C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H]1C(C)C ZINC000453041967 420706445 /nfs/dbraw/zinc/70/64/45/420706445.db2.gz SBRBRONHRZNGNX-KKUMJFAQSA-N 1 0 310.398 1.765 20 5 DDBDRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000493167404 420775977 /nfs/dbraw/zinc/77/59/77/420775977.db2.gz PDOQFGMONHVVNP-ZRIUIHNJSA-N 1 0 307.325 1.861 20 5 DDBDRO O=C(CC[NH2+][C@@H](CO)[C@@H]1CCCO1)Nc1ccc([N+](=O)[O-])cc1 ZINC000447918603 420819044 /nfs/dbraw/zinc/81/90/44/420819044.db2.gz ZTNNTQHZZBYKID-KBPBESRZSA-N 1 0 323.349 1.053 20 5 DDBDRO O=C(/C=C\c1ccc(F)cc1[N+](=O)[O-])N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000493386548 420835391 /nfs/dbraw/zinc/83/53/91/420835391.db2.gz NWPCQTIGBPMHOL-JNVUCASBSA-N 1 0 305.309 1.567 20 5 DDBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2C[C@H](O)[C@H](CO)C2)o1 ZINC000459712823 420854907 /nfs/dbraw/zinc/85/49/07/420854907.db2.gz RTXHBDLSVLIVMA-NHYWBVRUSA-N 1 0 318.329 1.640 20 5 DDBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@@](O)(CO)C1 ZINC000459727662 420859074 /nfs/dbraw/zinc/85/90/74/420859074.db2.gz RADGWICRIFVNAM-RQPMMQJISA-N 1 0 306.362 1.817 20 5 DDBDRO Nc1c(C(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cccc1[N+](=O)[O-] ZINC000449202458 420969074 /nfs/dbraw/zinc/96/90/74/420969074.db2.gz FNJMFNISHVNOIE-NEPJUHHUSA-N 1 0 318.377 1.639 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCNC(=O)c1ccn[nH]1 ZINC000449231776 420973772 /nfs/dbraw/zinc/97/37/72/420973772.db2.gz QSNPQJDUKRKLPR-LLVKDONJSA-N 1 0 317.349 1.269 20 5 DDBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000493788483 420942303 /nfs/dbraw/zinc/94/23/03/420942303.db2.gz MZWQRWFQWCUXHW-FFAUQURTSA-N 1 0 301.346 1.818 20 5 DDBDRO COc1cc(C(=O)N[C@H]2C[NH2+]CCC2(F)F)ccc1[N+](=O)[O-] ZINC000449662870 421050664 /nfs/dbraw/zinc/05/06/64/421050664.db2.gz NAKIYYDPDJYDTE-NSHDSACASA-N 1 0 315.276 1.330 20 5 DDBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000449739600 421071318 /nfs/dbraw/zinc/07/13/18/421071318.db2.gz LQJXLMVGKDRQEL-DOMZBBRYSA-N 1 0 318.377 1.607 20 5 DDBDRO COc1cc(OCC(=O)N[C@H]2CC[NH2+]C2(C)C)ccc1[N+](=O)[O-] ZINC000449749142 421074740 /nfs/dbraw/zinc/07/47/40/421074740.db2.gz DYKAYJHHJRYVFW-ZDUSSCGKSA-N 1 0 323.349 1.239 20 5 DDBDRO Cc1nc(N(CC[NH+](C)C)Cc2ccccn2)ncc1[N+](=O)[O-] ZINC000450393178 421192251 /nfs/dbraw/zinc/19/22/51/421192251.db2.gz PZBJQEIYYLVCEP-UHFFFAOYSA-N 1 0 316.365 1.656 20 5 DDBDRO Cc1nn(CCC(=O)NCC[N@H+]2CC[C@@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000525291736 421285793 /nfs/dbraw/zinc/28/57/93/421285793.db2.gz PMBMTQZXEKMUEH-LLVKDONJSA-N 1 0 323.397 1.256 20 5 DDBDRO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1c[nH]nc1[N+](=O)[O-] ZINC000548408047 421435839 /nfs/dbraw/zinc/43/58/39/421435839.db2.gz FHXJSYIPSYCCTH-GFCCVEGCSA-N 1 0 315.333 1.322 20 5 DDBDRO COCC[NH2+]C1CCN(C(=O)c2c(C)cccc2[N+](=O)[O-])CC1 ZINC000514736524 421450575 /nfs/dbraw/zinc/45/05/75/421450575.db2.gz MXVHZOJVVYJQIY-UHFFFAOYSA-N 1 0 321.377 1.744 20 5 DDBDRO CNc1nccc(C(=O)N2CCC[N@@H+](C(C)C)CC2)c1[N+](=O)[O-] ZINC000563375841 421496128 /nfs/dbraw/zinc/49/61/28/421496128.db2.gz FWDPRPRPEOHNHM-UHFFFAOYSA-N 1 0 321.381 1.588 20 5 DDBDRO CN1CCN(C)[C@H](C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000563418845 421506702 /nfs/dbraw/zinc/50/67/02/421506702.db2.gz QINQVXDWMRYTBR-IUODEOHRSA-N 1 0 304.394 1.418 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)N2[C@@H]3CC[C@H]2CC[N@@H+](C)C3)c1[N+](=O)[O-] ZINC000552418441 421586111 /nfs/dbraw/zinc/58/61/11/421586111.db2.gz ZLXCUFZLTLQXQN-WDEREUQCSA-N 1 0 321.381 1.750 20 5 DDBDRO CCc1ccccc1[C@@H]([NH3+])CNC(=O)c1cc([N+](=O)[O-])cn1C ZINC000517356947 421609844 /nfs/dbraw/zinc/60/98/44/421609844.db2.gz UUUGYRIEWNMDGC-AWEZNQCLSA-N 1 0 316.361 1.926 20 5 DDBDRO COC(=O)CCC1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000531239810 421627291 /nfs/dbraw/zinc/62/72/91/421627291.db2.gz HDTOTWNOJZVHGL-UHFFFAOYSA-N 1 0 310.354 1.457 20 5 DDBDRO C[NH+](C)Cc1cc(CNC(=O)c2c[nH]nc2[N+](=O)[O-])ccc1F ZINC000555733741 421688945 /nfs/dbraw/zinc/68/89/45/421688945.db2.gz PPCQZEIYTIPWPK-UHFFFAOYSA-N 1 0 321.312 1.449 20 5 DDBDRO C[C@H]1CCC[C@](CNC(=O)c2c[nH]nc2[N+](=O)[O-])([NH+](C)C)C1 ZINC000558733666 421823926 /nfs/dbraw/zinc/82/39/26/421823926.db2.gz BQDWWKZYEMEBLK-HZMBPMFUSA-N 1 0 309.370 1.558 20 5 DDBDRO CC1(C)CC[N@H+](CC(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000580901476 421861895 /nfs/dbraw/zinc/86/18/95/421861895.db2.gz VHMNZSUFYQWMLG-UHFFFAOYSA-N 1 0 321.377 1.822 20 5 DDBDRO CO[C@@H](C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)C(C)C ZINC000581662075 422022520 /nfs/dbraw/zinc/02/25/20/422022520.db2.gz TWXFJXVDMINSKT-ZFWWWQNUSA-N 1 0 312.366 1.595 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000574424180 422107575 /nfs/dbraw/zinc/10/75/75/422107575.db2.gz MTMFTWHEGOXZKP-LBPRGKRZSA-N 1 0 321.381 1.318 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H]1CCCOCC1 ZINC000583559670 422185775 /nfs/dbraw/zinc/18/57/75/422185775.db2.gz GIFRTMUZOOVTPN-QWHCGFSZSA-N 1 0 310.350 1.493 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CCC[C@H]2CCOC2)c1 ZINC000574512527 422123177 /nfs/dbraw/zinc/12/31/77/422123177.db2.gz PRILWZPTDBFIDI-ZFWWWQNUSA-N 1 0 324.377 1.741 20 5 DDBDRO Nc1nc(NCCc2cccc([N+](=O)[O-])c2)c2c([nH+]1)CCCC2 ZINC000591925238 422328167 /nfs/dbraw/zinc/32/81/67/422328167.db2.gz NXNUXFSIEQKSDU-UHFFFAOYSA-N 1 0 313.361 1.922 20 5 DDBDRO O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[C@@H]1CCC[NH2+]CC1 ZINC000593908044 422341811 /nfs/dbraw/zinc/34/18/11/422341811.db2.gz ZEYNEDFHDOGNPX-SECBINFHSA-N 1 0 303.322 1.799 20 5 DDBDRO C[NH+](C)[C@H]1C[C@@H](CNc2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC000594592308 422352617 /nfs/dbraw/zinc/35/26/17/422352617.db2.gz PSXGLJIGKYNIMS-UMSPYCQHSA-N 1 0 301.350 2.290 20 5 DDBDRO CC[N@H+](CCNc1ccc(N)c([N+](=O)[O-])n1)CCC(F)(F)F ZINC000596210155 422370477 /nfs/dbraw/zinc/37/04/77/422370477.db2.gz KOGWWGWPXMPPMU-UHFFFAOYSA-N 1 0 321.303 2.258 20 5 DDBDRO C[C@@H](CCNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1)[NH+](C)C ZINC000596433279 422376315 /nfs/dbraw/zinc/37/63/15/422376315.db2.gz TVBSRKSNCZSZGI-VIFPVBQESA-N 1 0 305.338 1.996 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)n1 ZINC000578231670 422528732 /nfs/dbraw/zinc/52/87/32/422528732.db2.gz YJHFYDWWQIWXTB-HBNTYKKESA-N 1 0 307.354 1.011 20 5 DDBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000578830343 422651264 /nfs/dbraw/zinc/65/12/64/422651264.db2.gz QKYUDYCDRJDMQI-GJZGRUSLSA-N 1 0 323.393 1.489 20 5 DDBDRO Cn1cc([N+](=O)[O-])c(C(=O)NCc2cccc(C[NH+](C)C)c2)n1 ZINC000271462586 263626524 /nfs/dbraw/zinc/62/65/24/263626524.db2.gz XLFHRRWYVAEBLD-UHFFFAOYSA-N 1 0 317.349 1.320 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000341583121 271127304 /nfs/dbraw/zinc/12/73/04/271127304.db2.gz UISULLXAWUIHOU-JSGCOSHPSA-N 1 0 307.350 1.257 20 5 DDBDRO CNC(=O)[C@@H](CCSC)[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000342321442 271375509 /nfs/dbraw/zinc/37/55/09/271375509.db2.gz WUONUGUBICLDTI-CYBMUJFWSA-N 1 0 311.407 1.861 20 5 DDBDRO CC[NH+]1C[C@H](C)N(C(=O)Cn2cc([N+](=O)[O-])nc2C)[C@@H](C)C1 ZINC000344425759 272023075 /nfs/dbraw/zinc/02/30/75/272023075.db2.gz OHMXTSWQVLRGSK-QWRGUYRKSA-N 1 0 309.370 1.041 20 5 DDBDRO C[NH+](C)CCOCCNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000345969682 272378520 /nfs/dbraw/zinc/37/85/20/272378520.db2.gz WZOXEEUBFRPTDN-UHFFFAOYSA-N 1 0 320.349 1.384 20 5 DDBDRO Cn1nc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000347367523 272674213 /nfs/dbraw/zinc/67/42/13/272674213.db2.gz WVGBEEOSICRMHI-LLVKDONJSA-N 1 0 307.354 1.075 20 5 DDBDRO CC1(C)C[C@H]([NH2+]CCS(C)(=O)=O)c2cc([N+](=O)[O-])ccc21 ZINC000279008981 273589064 /nfs/dbraw/zinc/58/90/64/273589064.db2.gz GSFHKPGKJWHJCA-ZDUSSCGKSA-N 1 0 312.391 1.951 20 5 DDBDRO CC[C@H](C)[NH+]1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000296151650 273744271 /nfs/dbraw/zinc/74/42/71/273744271.db2.gz XYQJBSPDXZRQMZ-NSHDSACASA-N 1 0 306.366 1.614 20 5 DDBDRO C[NH+](C)[C@H]1CN(c2nccc3c2cccc3[N+](=O)[O-])C[C@@H]1O ZINC000450542059 273819739 /nfs/dbraw/zinc/81/97/39/273819739.db2.gz URPUGYQCBBJXHG-KBPBESRZSA-N 1 0 302.334 1.254 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])c(N2CC([NH+](C)C)C2)cc1Cl ZINC000273346458 274000784 /nfs/dbraw/zinc/00/07/84/274000784.db2.gz UKDFZLQWNNEAQE-UHFFFAOYSA-N 1 0 313.741 1.785 20 5 DDBDRO CS[C@H]1CN(c2ccc([N+](=O)[O-])c3nonc32)C[C@@H]1[NH+](C)C ZINC000270923772 274186587 /nfs/dbraw/zinc/18/65/87/274186587.db2.gz BEKZGSDZRVWLIK-QWRGUYRKSA-N 1 0 323.378 1.613 20 5 DDBDRO C[C@@H]1CCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)[C@@H](C[NH3+])C1 ZINC000420259024 274304749 /nfs/dbraw/zinc/30/47/49/274304749.db2.gz LFWPIJWBSCWJES-MWLCHTKSSA-N 1 0 317.349 1.807 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@](C)(C(N)=O)C(C)C ZINC000297698057 274723948 /nfs/dbraw/zinc/72/39/48/274723948.db2.gz QGGPTIXWNQTNCG-HNNXBMFYSA-N 1 0 322.365 1.331 20 5 DDBDRO O=C([C@@H]1CC12CC[NH2+]CC2)N1CCc2c1cccc2[N+](=O)[O-] ZINC000261976290 275003464 /nfs/dbraw/zinc/00/34/64/275003464.db2.gz VJJCCPWZOBYZJK-LBPRGKRZSA-N 1 0 301.346 1.874 20 5 DDBDRO CCOc1cccc(N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)c1[N+](=O)[O-] ZINC000273152699 276381202 /nfs/dbraw/zinc/38/12/02/276381202.db2.gz IGQHTGFELDVGAI-CHWSQXEVSA-N 1 0 323.393 1.885 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H](CC[NH3+])C(F)F ZINC000423670950 276382007 /nfs/dbraw/zinc/38/20/07/276382007.db2.gz BMSPYUJDVRTLDS-MRVPVSSYSA-N 1 0 317.292 1.706 20 5 DDBDRO CNc1nc(C(=O)N2CC[N@H+](C)CC[C@H]2C)ccc1[N+](=O)[O-] ZINC000455657624 277044988 /nfs/dbraw/zinc/04/49/88/277044988.db2.gz DILMAMPINKGBRY-SNVBAGLBSA-N 1 0 307.354 1.198 20 5 DDBDRO C[C@@H](C[NH3+])CN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000423314289 277570021 /nfs/dbraw/zinc/57/00/21/277570021.db2.gz XYKXZFKNRBAHMJ-SMDDNHRTSA-N 1 0 303.366 1.602 20 5 DDBDRO C[C@@H](NC(=O)C[NH2+]C[C@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000151461011 277604307 /nfs/dbraw/zinc/60/43/07/277604307.db2.gz ZGGMPMNXDCDSEH-BXUZGUMPSA-N 1 0 307.350 1.541 20 5 DDBDRO C[C@H](C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)C1C[NH2+]C1 ZINC000261965857 278141543 /nfs/dbraw/zinc/14/15/43/278141543.db2.gz YJAUACLPYLVTCD-LBPRGKRZSA-N 1 0 318.377 1.099 20 5 DDBDRO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000179710525 278242028 /nfs/dbraw/zinc/24/20/28/278242028.db2.gz ODCGDVVUYJLXJR-NSHDSACASA-N 1 0 317.349 1.568 20 5 DDBDRO C[C@@H](C[NH3+])CNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000417982923 278244293 /nfs/dbraw/zinc/24/42/93/278244293.db2.gz DXQHSNDXWDBVCP-VIFPVBQESA-N 1 0 314.773 1.685 20 5 DDBDRO C[C@@H](CNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])[NH+](C)C ZINC000279619462 278270148 /nfs/dbraw/zinc/27/01/48/278270148.db2.gz SRZKBPIYVUUZRR-QMMMGPOBSA-N 1 0 317.748 1.996 20 5 DDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCS(=O)(=O)[C@H]1C ZINC000449340362 278298763 /nfs/dbraw/zinc/29/87/63/278298763.db2.gz ODSWBJBNIYSQMO-GVXVVHGQSA-N 1 0 312.391 1.691 20 5 DDBDRO CC[N@H+](CCNC(=O)c1cccc(OC)c1[N+](=O)[O-])C1CC1 ZINC000192515150 279205312 /nfs/dbraw/zinc/20/53/12/279205312.db2.gz LUSICSHHCFEUIM-UHFFFAOYSA-N 1 0 307.350 1.818 20 5 DDBDRO COc1ccc(C(=O)NC[C@@H](C2CC2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000079694295 280997382 /nfs/dbraw/zinc/99/73/82/280997382.db2.gz MZNWFQIJVISQIM-ZDUSSCGKSA-N 1 0 307.350 1.673 20 5 DDBDRO C[C@H]([NH2+]C[C@H]1CC[C@H](C(=O)N(C)C)O1)c1ccc([N+](=O)[O-])cc1 ZINC000091553284 281038506 /nfs/dbraw/zinc/03/85/06/281038506.db2.gz JBWRYHYPIMMCSQ-NILFDRSVSA-N 1 0 321.377 1.881 20 5 DDBDRO O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])NC[C@@H]1CCC[NH2+]C1 ZINC000129922579 281361775 /nfs/dbraw/zinc/36/17/75/281361775.db2.gz NCRIMMULZWVRKN-DUMNWFOQSA-N 1 0 307.325 1.863 20 5 DDBDRO C[C@H]([NH2+]C[C@H]1CC[C@@H](C(=O)N(C)C)O1)c1ccc([N+](=O)[O-])cc1 ZINC000246000733 281944226 /nfs/dbraw/zinc/94/42/26/281944226.db2.gz JBWRYHYPIMMCSQ-GLQYFDAESA-N 1 0 321.377 1.881 20 5 DDBDRO C[NH+](C)[C@@H]1CCCN(c2c(C(N)=O)cccc2[N+](=O)[O-])CC1 ZINC000420611418 289297418 /nfs/dbraw/zinc/29/74/18/289297418.db2.gz MUMFAZLPKALKMG-LLVKDONJSA-N 1 0 306.366 1.614 20 5 DDBDRO C[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CCOC1 ZINC000162805841 298202641 /nfs/dbraw/zinc/20/26/41/298202641.db2.gz NYZFSLQGPUCOSN-VXGBXAGGSA-N 1 0 307.350 1.938 20 5 DDBDRO COc1c(C(=O)NCC2([NH+](C)C)CCC2)cccc1[N+](=O)[O-] ZINC000356957172 298925938 /nfs/dbraw/zinc/92/59/38/298925938.db2.gz WMFCWCWMOLNESW-UHFFFAOYSA-N 1 0 307.350 1.818 20 5 DDBDRO CCN(CCC[NH+](CC)CC)C(=O)c1cc([N+](=O)[O-])nn1C ZINC000357125378 298971254 /nfs/dbraw/zinc/97/12/54/298971254.db2.gz QWCLOSZQVHBIOK-UHFFFAOYSA-N 1 0 311.386 1.522 20 5 DDBDRO COC(=O)C[C@@]1([NH2+]CCOc2ccc([N+](=O)[O-])cc2)CCOC1 ZINC000362271812 300040679 /nfs/dbraw/zinc/04/06/79/300040679.db2.gz XGJOUUCOFISULP-HNNXBMFYSA-N 1 0 324.333 1.285 20 5 DDBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000362659647 300111185 /nfs/dbraw/zinc/11/11/85/300111185.db2.gz WTTCJOJSTVKTHB-LBPRGKRZSA-N 1 0 308.382 1.641 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NCC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000363076709 300207254 /nfs/dbraw/zinc/20/72/54/300207254.db2.gz WRTSNPWFVZZWGK-YHWZYXNKSA-N 1 0 321.381 1.089 20 5 DDBDRO Cc1cc(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc([N+](=O)[O-])c1 ZINC000363125566 300215732 /nfs/dbraw/zinc/21/57/32/300215732.db2.gz RFBOOHWYROVARE-DZGCQCFKSA-N 1 0 319.361 1.496 20 5 DDBDRO [NH3+]C[C@@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CCO1 ZINC000364195305 300355645 /nfs/dbraw/zinc/35/56/45/300355645.db2.gz MHLRIGAABODLLW-LLVKDONJSA-N 1 0 321.358 1.609 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@@]2(CCC[C@H]2[NH3+])C1 ZINC000364265328 300364678 /nfs/dbraw/zinc/36/46/78/300364678.db2.gz ZZZACXGYOADSTL-DOMZBBRYSA-N 1 0 321.381 1.220 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@]2(CCC[C@H]2[NH3+])C1 ZINC000365103651 300480434 /nfs/dbraw/zinc/48/04/34/300480434.db2.gz CYYNZLNAPMHQEH-GDBMZVCRSA-N 1 0 319.361 1.947 20 5 DDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000366464047 300700547 /nfs/dbraw/zinc/70/05/47/300700547.db2.gz SYMAYTTUQWYUOC-UWVGGRQHSA-N 1 0 315.732 1.607 20 5 DDBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000368231661 300982074 /nfs/dbraw/zinc/98/20/74/300982074.db2.gz XWLXULYKPTWYFN-AAEUAGOBSA-N 1 0 324.356 1.603 20 5 DDBDRO CCCc1n[nH]c(C(=O)N[C@H]2CC23CC[NH2+]CC3)c1[N+](=O)[O-] ZINC000368384029 301015735 /nfs/dbraw/zinc/01/57/35/301015735.db2.gz HCAMJBWBSPKBRW-JTQLQIEISA-N 1 0 307.354 1.142 20 5 DDBDRO O=C1NCCCC[C@@H]1[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369012306 301119539 /nfs/dbraw/zinc/11/95/39/301119539.db2.gz UWTKDQWGXVZDII-AAEUAGOBSA-N 1 0 307.354 1.097 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1CN1CCC(C[NH+]2CCCC2)CC1 ZINC000370047259 301265099 /nfs/dbraw/zinc/26/50/99/301265099.db2.gz WUIDUMWFHWMHGJ-UHFFFAOYSA-N 1 0 307.398 1.636 20 5 DDBDRO O=C(CC[N@H+]1CC[C@](O)(C2CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000370081697 301272519 /nfs/dbraw/zinc/27/25/19/301272519.db2.gz KAANNVZMXXCATI-MRXNPFEDSA-N 1 0 319.361 1.770 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H]2COC[C@H]21 ZINC000370223569 301297687 /nfs/dbraw/zinc/29/76/87/301297687.db2.gz DHGZITCHKUVJBV-KCQAQPDRSA-N 1 0 322.361 1.445 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000371825248 301503390 /nfs/dbraw/zinc/50/33/90/301503390.db2.gz QTCZJRGJJODYSE-HZPDHXFCSA-N 1 0 305.378 1.939 20 5 DDBDRO O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000373065179 301657385 /nfs/dbraw/zinc/65/73/85/301657385.db2.gz FARGTESIOVGGIS-UGAQRHAQSA-N 1 0 301.346 1.818 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000375994950 302021133 /nfs/dbraw/zinc/02/11/33/302021133.db2.gz OJLALPCUDGNNMF-YRGRVCCFSA-N 1 0 308.382 1.844 20 5 DDBDRO O=C(Nc1ncc(C2CC[NH2+]CC2)s1)c1n[nH]cc1[N+](=O)[O-] ZINC000376072153 302035445 /nfs/dbraw/zinc/03/54/45/302035445.db2.gz YMTZSLAYCLOWSP-UHFFFAOYSA-N 1 0 322.350 1.494 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000038050059 302048647 /nfs/dbraw/zinc/04/86/47/302048647.db2.gz VELYGKLLVUEXLO-GHMZBOCLSA-N 1 0 313.379 1.451 20 5 DDBDRO COCCC[N@@H+]1CCCN(c2c([N+](=O)[O-])c(C)nn2C)CC1 ZINC000377856711 302243594 /nfs/dbraw/zinc/24/35/94/302243594.db2.gz QUFGJMSOANHLTF-UHFFFAOYSA-N 1 0 311.386 1.185 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000514920504 302754400 /nfs/dbraw/zinc/75/44/00/302754400.db2.gz NSEMNXXHLNKSJG-UHFFFAOYSA-N 1 0 316.361 1.925 20 5 DDBDRO COCC(C)(C)C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000519594183 302842977 /nfs/dbraw/zinc/84/29/77/302842977.db2.gz DIHQZERIGLLBKK-GFCCVEGCSA-N 1 0 312.366 1.597 20 5 DDBDRO CC[C@H]1CC[N@@H+]([C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000531026001 303225921 /nfs/dbraw/zinc/22/59/21/303225921.db2.gz SHBZZADJFVZNDX-SMDDNHRTSA-N 1 0 317.345 1.959 20 5 DDBDRO CC1CC[NH+](CCCNC(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000532144017 303277243 /nfs/dbraw/zinc/27/72/43/303277243.db2.gz UOTZAYUBCBNAIA-UHFFFAOYSA-N 1 0 306.366 1.842 20 5 DDBDRO [NH3+]C[C@H]1CCC[C@H]1NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000418475545 303426789 /nfs/dbraw/zinc/42/67/89/303426789.db2.gz SPWVQVSCIPAEGV-IUODEOHRSA-N 1 0 318.377 1.790 20 5 DDBDRO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000126845685 304797855 /nfs/dbraw/zinc/79/78/55/304797855.db2.gz FRBOZKQXIQCOAS-SECBINFHSA-N 1 0 317.342 1.154 20 5 DDBDRO O=C(NC[C@@H]1CCC[N@H+](Cc2cccnc2)C1)[C@@H]1C[C@@H]1[N+](=O)[O-] ZINC000363398880 307027288 /nfs/dbraw/zinc/02/72/88/307027288.db2.gz QBJWAAMWMCFAND-ZNMIVQPWSA-N 1 0 318.377 1.075 20 5 DDBDRO CSC[C@@H](O)C[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000372294467 307167730 /nfs/dbraw/zinc/16/77/30/307167730.db2.gz JNMAYJPFDUZMTI-PWSUYJOCSA-N 1 0 300.384 1.152 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@@H]2CCCC[C@@H]2N2CCOCC2)n1 ZINC000373115929 307179401 /nfs/dbraw/zinc/17/94/01/307179401.db2.gz PQROPSKTTCWIIV-KGLIPLIRSA-N 1 0 323.397 1.024 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@H](C[C@H]3CCOC3)C2)n1 ZINC000373142418 307180386 /nfs/dbraw/zinc/18/03/86/307180386.db2.gz TWHLPVPDYYFKIS-ZIAGYGMSSA-N 1 0 308.382 1.930 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000373938065 307198196 /nfs/dbraw/zinc/19/81/96/307198196.db2.gz MJVAOBUTAYURIQ-RYUDHWBXSA-N 1 0 304.350 1.655 20 5 DDBDRO O=C([C@@H]1C[C@@H]1[N+](=O)[O-])N(Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000375270752 307219996 /nfs/dbraw/zinc/21/99/96/307219996.db2.gz VSNQKELPBSFYLM-ZNMIVQPWSA-N 1 0 318.377 1.218 20 5 DDBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000376561814 307247791 /nfs/dbraw/zinc/24/77/91/307247791.db2.gz JVNMMLWPZZGIOK-RISCZKNCSA-N 1 0 304.350 1.689 20 5 DDBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3cccc([N+](=O)[O-])c3F)C[C@@H]21 ZINC000376662927 307252306 /nfs/dbraw/zinc/25/23/06/307252306.db2.gz DANQRIJTORCLAL-GWCFXTLKSA-N 1 0 307.325 1.900 20 5 DDBDRO CS(=O)(=O)CCCC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000563415854 307969361 /nfs/dbraw/zinc/96/93/61/307969361.db2.gz FLSCHNOIHSDKDJ-ZDUSSCGKSA-N 1 0 312.391 1.997 20 5 DDBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000563537390 307974106 /nfs/dbraw/zinc/97/41/06/307974106.db2.gz SUCOYULWZOJLNN-HBNTYKKESA-N 1 0 322.365 1.014 20 5 DDBDRO C[NH+](C)CCCCC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000567667072 308088788 /nfs/dbraw/zinc/08/87/88/308088788.db2.gz OBSMWOHWFLKYBJ-UHFFFAOYSA-N 1 0 323.397 1.687 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]Cc2cc3ccccc3[nH]2)c1 ZINC000567681269 308089333 /nfs/dbraw/zinc/08/93/33/308089333.db2.gz OCNINUQHPAFBOP-AWEZNQCLSA-N 1 0 315.333 1.423 20 5 DDBDRO [NH3+][C@@H](CNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)C1CC1 ZINC000569912362 308154545 /nfs/dbraw/zinc/15/45/45/308154545.db2.gz JKFDXNNBLXNOCS-ZDUSSCGKSA-N 1 0 304.350 1.400 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2CCCc3occc32)c1 ZINC000572952644 308228195 /nfs/dbraw/zinc/22/81/95/308228195.db2.gz BHSWZOSSEVAKCM-DGCLKSJQSA-N 1 0 306.322 1.412 20 5 DDBDRO CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000573484719 308243459 /nfs/dbraw/zinc/24/34/59/308243459.db2.gz FQRVTTYVRMGKEO-OLZOCXBDSA-N 1 0 321.381 1.343 20 5 DDBDRO CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000573705986 308249725 /nfs/dbraw/zinc/24/97/25/308249725.db2.gz KWTPKWXLRUFQKN-NSHDSACASA-N 1 0 322.365 1.642 20 5 DDBDRO CS(=O)(=O)C1(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000576649284 308330195 /nfs/dbraw/zinc/33/01/95/308330195.db2.gz ZSYXQEAKGPRYRG-LBPRGKRZSA-N 1 0 310.375 1.749 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@]3(C2)CCC[NH2+]C3)n1 ZINC000578498968 308465592 /nfs/dbraw/zinc/46/55/92/308465592.db2.gz YTYFKEAVGYVHMA-CQSZACIVSA-N 1 0 307.354 1.027 20 5 DDBDRO O=C(NC[C@H]1CCC[NH2+]1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000579932337 308567260 /nfs/dbraw/zinc/56/72/60/308567260.db2.gz KMDZXEHWDWLVIU-GFCCVEGCSA-N 1 0 304.350 1.415 20 5 DDBDRO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001120671507 782085533 /nfs/dbraw/zinc/08/55/33/782085533.db2.gz ZOMFUSUINCANIJ-VHDGCEQUSA-N 1 0 316.361 1.555 20 5 DDBDRO Cc1n[nH]cc1C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000582355295 326017184 /nfs/dbraw/zinc/01/71/84/326017184.db2.gz FTTHJJAIWXMRMU-GFCCVEGCSA-N 1 0 306.322 1.156 20 5 DDBDRO C[C@@H]1CC[C@H](C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)O1 ZINC000583626292 336002669 /nfs/dbraw/zinc/00/26/69/336002669.db2.gz LIUFUWWKIIQNMA-OSAQELSMSA-N 1 0 310.350 1.492 20 5 DDBDRO [NH3+]C[C@H]1CCCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000583145244 337245814 /nfs/dbraw/zinc/24/58/14/337245814.db2.gz DYLGZBFCLWNSHB-DOMZBBRYSA-N 1 0 318.377 1.371 20 5 DDBDRO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CC[C@@H]1[NH3+] ZINC000583262371 337293908 /nfs/dbraw/zinc/29/39/08/337293908.db2.gz XXAWPFRJGOYCHO-SKDRFNHKSA-N 1 0 321.333 1.175 20 5 DDBDRO COCC[NH2+]C1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000583879171 337370891 /nfs/dbraw/zinc/37/08/91/337370891.db2.gz CMKJTSDUUNUOPN-UHFFFAOYSA-N 1 0 307.350 1.435 20 5 DDBDRO C[C@@H]1[C@H](CO)CC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000488736785 484216674 /nfs/dbraw/zinc/21/66/74/484216674.db2.gz QYWDMGOFQQFENW-FRRDWIJNSA-N 1 0 310.350 1.037 20 5 DDBDRO CC1(C)CCC[C@H](C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000563000859 484329033 /nfs/dbraw/zinc/32/90/33/484329033.db2.gz PJHTYJPBZZKJFR-GXTWGEPZSA-N 1 0 310.398 1.958 20 5 DDBDRO COC(=O)c1ccc(OC[C@@H](O)C[N@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000589583757 490359269 /nfs/dbraw/zinc/35/92/69/490359269.db2.gz UMPARBKBZQQRTN-NSHDSACASA-N 1 0 324.333 1.215 20 5 DDBDRO C[C@@H]1OCC[C@]1(O)C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000433006682 534209900 /nfs/dbraw/zinc/20/99/00/534209900.db2.gz RGPFFYJQMKLAFU-JLNYLFASSA-N 1 0 324.381 1.405 20 5 DDBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000417234146 534462266 /nfs/dbraw/zinc/46/22/66/534462266.db2.gz PIZOWCAQXRNKEN-KBPBESRZSA-N 1 0 318.377 1.388 20 5 DDBDRO Cn1cc([N+](=O)[O-])c(C(=O)NCCC[NH2+]C2CCCCC2)n1 ZINC000419928445 534759604 /nfs/dbraw/zinc/75/96/04/534759604.db2.gz YAYDLLWJBJMDRV-UHFFFAOYSA-N 1 0 309.370 1.371 20 5 DDBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000445132748 527929689 /nfs/dbraw/zinc/92/96/89/527929689.db2.gz GYHZMFCAICFXRB-VHSXEESVSA-N 1 0 308.338 1.250 20 5 DDBDRO CCC[N@H+](CC)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000299407646 527963248 /nfs/dbraw/zinc/96/32/48/527963248.db2.gz YFBDYGASAUEYNW-UHFFFAOYSA-N 1 0 309.322 1.994 20 5 DDBDRO CCOC(=O)[C@H]1NCC[C@H]1[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000422795719 528093766 /nfs/dbraw/zinc/09/37/66/528093766.db2.gz WJFMQIBSNFUSBB-OCCSQVGLSA-N 1 0 307.350 1.021 20 5 DDBDRO CC1(C)COC[C@H]1[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000451808010 529134591 /nfs/dbraw/zinc/13/45/91/529134591.db2.gz CPPKLJLCAMWUMS-SMDDNHRTSA-N 1 0 310.350 1.349 20 5 DDBDRO C[NH+](C)CCOCCNc1c2ccccc2ncc1[N+](=O)[O-] ZINC000336862792 535894342 /nfs/dbraw/zinc/89/43/42/535894342.db2.gz LGSMTPSYRWILMY-UHFFFAOYSA-N 1 0 304.350 1.555 20 5 DDBDRO C[N@@H+]1CCC[C@H](NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000746236289 700012786 /nfs/dbraw/zinc/01/27/86/700012786.db2.gz WJJKZIGJLDQAGR-JTQLQIEISA-N 1 0 311.313 1.323 20 5 DDBDRO CC(C)CNC(=O)C1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000746655894 700035683 /nfs/dbraw/zinc/03/56/83/700035683.db2.gz RIJCDTMMWOIWQN-UHFFFAOYSA-N 1 0 323.397 1.276 20 5 DDBDRO CC(C)N1CC[C@@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000747815151 700087639 /nfs/dbraw/zinc/08/76/39/700087639.db2.gz GIZBCLYQPFHWNH-KGLIPLIRSA-N 1 0 307.350 1.227 20 5 DDBDRO C[C@H](C(=O)OCCn1cc([N+](=O)[O-])cn1)[NH+]1CCCCCC1 ZINC000748129652 700101350 /nfs/dbraw/zinc/10/13/50/700101350.db2.gz SVZRRNLNLKBPTA-GFCCVEGCSA-N 1 0 310.354 1.599 20 5 DDBDRO C[NH+](C)[C@H]1CCCN(S(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000119746199 696684728 /nfs/dbraw/zinc/68/47/28/696684728.db2.gz UIRVXOJZUVZIDO-VIFPVBQESA-N 1 0 319.408 1.371 20 5 DDBDRO CN(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[C@@H]1CCC[N@H+](C)C1 ZINC000153538795 696916932 /nfs/dbraw/zinc/91/69/32/696916932.db2.gz XBESYVHINLJIHS-LLVKDONJSA-N 1 0 322.321 1.669 20 5 DDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[N@H+](CCc2ccccc2)CC1 ZINC000981137435 697015431 /nfs/dbraw/zinc/01/54/31/697015431.db2.gz VGBCCNMCWKLDJN-HZPDHXFCSA-N 1 0 317.389 1.429 20 5 DDBDRO O=C(N[C@H]1C[C@H](C[NH2+]CC2CC3(CCC3)C2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000983656974 697287182 /nfs/dbraw/zinc/28/71/82/697287182.db2.gz FUZKKFTWWCXAHY-NMFUWQPSSA-N 1 0 321.421 1.716 20 5 DDBDRO C[C@@H]1CCN(CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)[C@@H]1C ZINC000174954976 697393472 /nfs/dbraw/zinc/39/34/72/697393472.db2.gz RGKDORGRNOENIH-NXEZZACHSA-N 1 0 303.318 1.879 20 5 DDBDRO O=C(OCCC[NH+]1CCCC1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000800100803 700187537 /nfs/dbraw/zinc/18/75/37/700187537.db2.gz JCYLNJRKUUMOBL-UHFFFAOYSA-N 1 0 322.317 1.966 20 5 DDBDRO CC[NH+](CC)CCCOC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000800158979 700195665 /nfs/dbraw/zinc/19/56/65/700195665.db2.gz GFBXRPKYFMHLFG-UHFFFAOYSA-N 1 0 312.370 1.802 20 5 DDBDRO CCO[C@@H]1COCC[C@@H]1[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776489101 698110683 /nfs/dbraw/zinc/11/06/83/698110683.db2.gz YQPQKKYKHPNWMO-RRFJBIMHSA-N 1 0 310.350 1.412 20 5 DDBDRO NC(=O)C1([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000776591798 698123766 /nfs/dbraw/zinc/12/37/66/698123766.db2.gz OTFHNCMAPBETFS-CYBMUJFWSA-N 1 0 307.350 1.406 20 5 DDBDRO COCCO[C@@H]1CCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776594001 698124070 /nfs/dbraw/zinc/12/40/70/698124070.db2.gz QQMCHLJJVMRAAH-CVEARBPZSA-N 1 0 324.377 1.756 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCSC[C@@H]2CCO)c1 ZINC000750095181 700203427 /nfs/dbraw/zinc/20/34/27/700203427.db2.gz WHGSUHRSMZVIKW-KBPBESRZSA-N 1 0 312.391 1.428 20 5 DDBDRO C[NH+](C)CCOC1CCN(c2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000800851971 700249295 /nfs/dbraw/zinc/24/92/95/700249295.db2.gz ZYTIKLHZYVIPIM-UHFFFAOYSA-N 1 0 308.382 1.724 20 5 DDBDRO COCC[NH2+]CCNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000700632057 699222076 /nfs/dbraw/zinc/22/20/76/699222076.db2.gz YBRCHELJXLYWDU-UHFFFAOYSA-N 1 0 301.730 1.214 20 5 DDBDRO CC[NH+](CC)C[C@@H](C)NC(=O)c1cc(C)cc([N+](=O)[O-])c1N ZINC000729526925 699481619 /nfs/dbraw/zinc/48/16/19/699481619.db2.gz MKRPZSWXSYSYRM-LLVKDONJSA-N 1 0 308.382 1.946 20 5 DDBDRO CCOC[C@H]1CCN(Cn2c(=O)oc3cccc([N+](=O)[O-])c32)C1 ZINC000794637884 699820513 /nfs/dbraw/zinc/82/05/13/699820513.db2.gz ZGKVARIMXYDACI-NSHDSACASA-N 1 0 321.333 1.819 20 5 DDBDRO COC(=O)CC(C)(C)[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000741255485 699825253 /nfs/dbraw/zinc/82/52/53/699825253.db2.gz ZCGBIPFWDDYXMP-UHFFFAOYSA-N 1 0 324.333 1.893 20 5 DDBDRO C[NH+](C)CCCNC(=S)NCCc1ccccc1[N+](=O)[O-] ZINC000741870326 699854998 /nfs/dbraw/zinc/85/49/98/699854998.db2.gz QQIWODUGNXYKAW-UHFFFAOYSA-N 1 0 310.423 1.553 20 5 DDBDRO CC(C)([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCCC1 ZINC000796583597 699940771 /nfs/dbraw/zinc/94/07/71/699940771.db2.gz WWYPMGXVHAPXOL-AWEZNQCLSA-N 1 0 321.377 1.619 20 5 DDBDRO O=c1[nH]ccc2c1C[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000755208488 700556220 /nfs/dbraw/zinc/55/62/20/700556220.db2.gz XWKUGUKDHQKDKC-HNNXBMFYSA-N 1 0 315.329 1.787 20 5 DDBDRO Cc1nn(C)c(C)c1CN(CC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000809735040 701684050 /nfs/dbraw/zinc/68/40/50/701684050.db2.gz WBLXKBGCSLNMKT-UHFFFAOYSA-N 1 0 303.366 1.910 20 5 DDBDRO O=C(NCCNc1cc[nH+]cc1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000768710301 701197599 /nfs/dbraw/zinc/19/75/99/701197599.db2.gz OITRJTHEZXPOBM-UHFFFAOYSA-N 1 0 320.736 1.907 20 5 DDBDRO COc1ccc(OCC[NH2+][C@H](CCO)C2CC2)c([N+](=O)[O-])c1 ZINC000771797479 701331005 /nfs/dbraw/zinc/33/10/05/701331005.db2.gz AXKHSIJUMKDNOM-CYBMUJFWSA-N 1 0 310.350 1.733 20 5 DDBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C[C@@H](O)C[N@@H+](C)C1CC1)CC2 ZINC000809970534 701707795 /nfs/dbraw/zinc/70/77/95/701707795.db2.gz CBKZUOAUHXFUFF-AWEZNQCLSA-N 1 0 305.378 1.721 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)C2CC[NH2+]CC2)c1 ZINC000868011998 701891580 /nfs/dbraw/zinc/89/15/80/701891580.db2.gz DIROSRYJPBSKHO-JTQLQIEISA-N 1 0 307.350 1.721 20 5 DDBDRO C[NH+](C)CCSCC(=O)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000840197792 702024722 /nfs/dbraw/zinc/02/47/22/702024722.db2.gz IXJNHPXVJYWYBN-UHFFFAOYSA-N 1 0 311.363 1.146 20 5 DDBDRO CO[C@@H]1CC[C@@H](C)[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000879318739 706648130 /nfs/dbraw/zinc/64/81/30/706648130.db2.gz ZXQJKCVZBWBBBP-XNRPHZJLSA-N 1 0 324.377 1.834 20 5 DDBDRO C[N@@H+]1CC[C@H]2CN(c3nc4sccn4c3[N+](=O)[O-])CC[C@H]21 ZINC000866207487 706649249 /nfs/dbraw/zinc/64/92/49/706649249.db2.gz PMBFWAWYQMDZMM-VHSXEESVSA-N 1 0 307.379 1.834 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21 ZINC000816953655 702237937 /nfs/dbraw/zinc/23/79/37/702237937.db2.gz LOOSPBQXZXQKGV-IAQYHMDHSA-N 1 0 318.377 1.437 20 5 DDBDRO C[C@@H]([NH3+])[C@H](C)NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000841255051 702404357 /nfs/dbraw/zinc/40/43/57/702404357.db2.gz BBAQNGMXFBUZQM-RQJHMYQMSA-N 1 0 314.729 1.039 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C3COCCOC3)CC2)cc1 ZINC000813878431 702431032 /nfs/dbraw/zinc/43/10/32/702431032.db2.gz ARDJBKHZMNSECM-UHFFFAOYSA-N 1 0 321.377 1.569 20 5 DDBDRO Cc1cc(S(=O)(=O)NC(C)(C)CC[NH3+])cc([N+](=O)[O-])c1F ZINC000817862059 702503281 /nfs/dbraw/zinc/50/32/81/702503281.db2.gz QZAGMJZBSWYIMW-UHFFFAOYSA-N 1 0 319.358 1.448 20 5 DDBDRO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C[C@@]1(C)C[NH3+] ZINC000818007976 702551430 /nfs/dbraw/zinc/55/14/30/702551430.db2.gz LUTBQBFOCVZMSN-YMTOWFKASA-N 1 0 322.321 1.560 20 5 DDBDRO [NH3+]C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CCCO1 ZINC000818013059 702554043 /nfs/dbraw/zinc/55/40/43/702554043.db2.gz XUGBPYQPAAUHHU-SNVBAGLBSA-N 1 0 313.741 1.438 20 5 DDBDRO C[C@@H]1C[C@H](C)N(C(=O)c2cc([N+](=O)[O-])ccc2N)C[C@H]1C[NH3+] ZINC000818024119 702556996 /nfs/dbraw/zinc/55/69/96/702556996.db2.gz MLHOLUDKFZECFU-OUAUKWLOSA-N 1 0 306.366 1.622 20 5 DDBDRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000818288745 702624608 /nfs/dbraw/zinc/62/46/08/702624608.db2.gz JARKLUHKIDISCW-CHWSQXEVSA-N 1 0 317.349 1.331 20 5 DDBDRO C[C@@H]1CN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CC[NH2+]1 ZINC000842473590 702725103 /nfs/dbraw/zinc/72/51/03/702725103.db2.gz NQKZHFLLPVMXIW-SECBINFHSA-N 1 0 312.757 1.480 20 5 DDBDRO C[C@H]1[C@@H]([NH3+])CCN1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000842475286 702725483 /nfs/dbraw/zinc/72/54/83/702725483.db2.gz MEPFIMHQNHJGHG-KWQFWETISA-N 1 0 312.757 1.608 20 5 DDBDRO C[C@@H]([NH3+])[C@H](C)NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000842883136 702786818 /nfs/dbraw/zinc/78/68/18/702786818.db2.gz AXUVFYSDOKLPRE-RQJHMYQMSA-N 1 0 307.759 1.262 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@@H](CO)c2ccccc2)c1 ZINC000843078435 702814636 /nfs/dbraw/zinc/81/46/36/702814636.db2.gz YVAHCRCCJQFBHK-DOTOQJQBSA-N 1 0 316.357 1.994 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@@H](O)Cc2ccccc2)cc1 ZINC000843087541 702816099 /nfs/dbraw/zinc/81/60/99/702816099.db2.gz KCISCDLGJXSWJE-IRXDYDNUSA-N 1 0 316.357 1.821 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@]2(CCO)CCOC2)cc1 ZINC000843102296 702819373 /nfs/dbraw/zinc/81/93/73/702819373.db2.gz VUOZYJMYGYITCA-CABCVRRESA-N 1 0 310.350 1.007 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC000843455383 702885474 /nfs/dbraw/zinc/88/54/74/702885474.db2.gz NOPPKFNIIJHILP-RKDXNWHRSA-N 1 0 322.321 1.634 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844441827 703032152 /nfs/dbraw/zinc/03/21/52/703032152.db2.gz UJRPJMOVKOXMNE-CYBMUJFWSA-N 1 0 313.304 1.878 20 5 DDBDRO C[N@@H+]1CCN(Cn2nccc2[N+](=O)[O-])[C@@H](Cc2ccccc2)C1 ZINC000844743490 703067406 /nfs/dbraw/zinc/06/74/06/703067406.db2.gz YMZBSWXSTSUGFG-HNNXBMFYSA-N 1 0 315.377 1.608 20 5 DDBDRO CO[C@H](C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCOC1 ZINC000849328415 703635743 /nfs/dbraw/zinc/63/57/43/703635743.db2.gz ZMEBIKTUBPBNTK-VHDGCEQUSA-N 1 0 310.350 1.269 20 5 DDBDRO Cc1c(C(=O)NC2(C)CC[NH2+]CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000818583781 703931546 /nfs/dbraw/zinc/93/15/46/703931546.db2.gz VWIRVPNLZLWDFT-UHFFFAOYSA-N 1 0 322.321 1.683 20 5 DDBDRO CC(C)OC(=O)[C@@H](C)C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819116718 704071819 /nfs/dbraw/zinc/07/18/19/704071819.db2.gz XYMXENNFQIHFLM-FZMZJTMJSA-N 1 0 310.350 1.806 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C[C@@H]2CCC=CO2)c1 ZINC000819246959 704094446 /nfs/dbraw/zinc/09/44/46/704094446.db2.gz UEMLDKRIPHYHKD-ZFWWWQNUSA-N 1 0 308.334 1.617 20 5 DDBDRO CN(CC(C)(C)[NH3+])C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000852841164 704143722 /nfs/dbraw/zinc/14/37/22/704143722.db2.gz GAWWTNSPNDYUMA-UHFFFAOYSA-N 1 0 305.338 1.140 20 5 DDBDRO Cc1c(C(=O)N(C)CC(C)(C)[NH3+])cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000852841953 704144108 /nfs/dbraw/zinc/14/41/08/704144108.db2.gz OOJABTVGQJQSTN-UHFFFAOYSA-N 1 0 324.337 1.929 20 5 DDBDRO CCCN(CC[NH+](C)C)C(=O)[C@@](C)(N)c1cccc([N+](=O)[O-])c1 ZINC000870910873 704165127 /nfs/dbraw/zinc/16/51/27/704165127.db2.gz VHPFKXWAOQOODO-INIZCTEOSA-N 1 0 322.409 1.569 20 5 DDBDRO O=[N+]([O-])c1cc(F)c(Cl)cc1N1CCC([NH2+]CCO)CC1 ZINC000820680393 704319043 /nfs/dbraw/zinc/31/90/43/704319043.db2.gz AHTRFJPFMBVANV-UHFFFAOYSA-N 1 0 317.748 1.938 20 5 DDBDRO C[NH+](C)CC1CN(C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000821009935 704358848 /nfs/dbraw/zinc/35/88/48/704358848.db2.gz HLEZDZSBHNBKBV-LSDHHAIUSA-N 1 0 303.362 1.718 20 5 DDBDRO CC(C)[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000856486067 704530821 /nfs/dbraw/zinc/53/08/21/704530821.db2.gz VDLYFUZSAOTJGX-ZDUSSCGKSA-N 1 0 322.321 1.573 20 5 DDBDRO CN(CCOCC[NH3+])C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000859645665 704961168 /nfs/dbraw/zinc/96/11/68/704961168.db2.gz GIXFTVOGQXDDIA-UHFFFAOYSA-N 1 0 316.745 1.687 20 5 DDBDRO COC[C@]1(c2nc(-c3ccc(C)c([N+](=O)[O-])c3)no2)CC[NH2+]C1 ZINC000822723562 705019995 /nfs/dbraw/zinc/01/99/95/705019995.db2.gz YDLQYCHBYIUTMK-HNNXBMFYSA-N 1 0 318.333 1.831 20 5 DDBDRO CC(C)[C@@H]1C[N@H+](C)CCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000823179357 705163358 /nfs/dbraw/zinc/16/33/58/705163358.db2.gz MBSPJRJIJYEQHA-HOTGVXAUSA-N 1 0 307.394 1.900 20 5 DDBDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825118403 705604064 /nfs/dbraw/zinc/60/40/64/705604064.db2.gz SMTZNJCTSZGBEJ-RBSFLKMASA-N 1 0 319.361 1.371 20 5 DDBDRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825776604 705729669 /nfs/dbraw/zinc/72/96/69/705729669.db2.gz JUIRMXGUFHTWHE-HIFRSBDPSA-N 1 0 319.361 1.229 20 5 DDBDRO C[NH+](C)C1CCN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000825791175 705731180 /nfs/dbraw/zinc/73/11/80/705731180.db2.gz BICXJOXMTNIJSY-CQSZACIVSA-N 1 0 307.350 1.181 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCCCN1CC[NH2+]CC1 ZINC000876502594 705736160 /nfs/dbraw/zinc/73/61/60/705736160.db2.gz FRFJEMGSSCUWLI-UHFFFAOYSA-N 1 0 320.393 1.237 20 5 DDBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825987877 705754911 /nfs/dbraw/zinc/75/49/11/705754911.db2.gz PCOLIWSMFVSJDM-ZFWWWQNUSA-N 1 0 321.377 1.619 20 5 DDBDRO CCOC(=O)C1=CC[C@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000863576543 705962635 /nfs/dbraw/zinc/96/26/35/705962635.db2.gz RIKQLMTVXGNZMF-ZFWWWQNUSA-N 1 0 320.345 1.870 20 5 DDBDRO COc1cc(C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000827329451 705977033 /nfs/dbraw/zinc/97/70/33/705977033.db2.gz GPTJISULARIDQJ-CHWSQXEVSA-N 1 0 319.361 1.770 20 5 DDBDRO CC1(C)CC[C@@H](CNC(=O)COc2ccccc2[N+](=O)[O-])[NH2+]C1 ZINC000877157279 706001324 /nfs/dbraw/zinc/00/13/24/706001324.db2.gz BVPXEFXQIVZVQV-LBPRGKRZSA-N 1 0 321.377 1.868 20 5 DDBDRO CCOC(=O)[C@H](C)C1CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000871993204 707272655 /nfs/dbraw/zinc/27/26/55/707272655.db2.gz MQTQIZYNXVNXQL-IAQYHMDHSA-N 1 0 322.361 1.759 20 5 DDBDRO CN(CC(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21)c1ccccc1[N+](=O)[O-] ZINC000877278993 706046274 /nfs/dbraw/zinc/04/62/74/706046274.db2.gz QECOLLZTTLTRAR-OLZOCXBDSA-N 1 0 318.377 1.384 20 5 DDBDRO CC[N@@H+]1C[C@H](C)N(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000828095282 706117590 /nfs/dbraw/zinc/11/75/90/706117590.db2.gz LWXFGHNKNAAQTN-TYNCELHUSA-N 1 0 321.377 1.569 20 5 DDBDRO O=[N+]([O-])c1ccc(NC[C@H]2CCC[N@H+]2CCCO)c([N+](=O)[O-])c1 ZINC000828423067 706176689 /nfs/dbraw/zinc/17/66/89/706176689.db2.gz TVHRMFKWRQLFDY-GFCCVEGCSA-N 1 0 324.337 1.762 20 5 DDBDRO C[C@@H](CN1C(=O)N[C@@](C)(c2cccc([N+](=O)[O-])c2)C1=O)[NH+](C)C ZINC000877874331 706229608 /nfs/dbraw/zinc/22/96/08/706229608.db2.gz BAEMUSNWKDRYGU-BONVTDFDSA-N 1 0 320.349 1.312 20 5 DDBDRO C[C@@H](NC(=O)COC1CC[NH+](C)CC1)c1ccccc1[N+](=O)[O-] ZINC000828909672 706253983 /nfs/dbraw/zinc/25/39/83/706253983.db2.gz RUXCUZWCTQCBAP-GFCCVEGCSA-N 1 0 321.377 1.883 20 5 DDBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)C[C@]1(O)CCc2ccccc21 ZINC000829337406 706320941 /nfs/dbraw/zinc/32/09/41/706320941.db2.gz GTIXNJDWGJTBGY-MRXNPFEDSA-N 1 0 316.361 1.557 20 5 DDBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000830015879 706438071 /nfs/dbraw/zinc/43/80/71/706438071.db2.gz GFDYBIMLQOTUNX-XPTSAGLGSA-N 1 0 307.325 1.946 20 5 DDBDRO Cn1nnnc1CC[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000878679149 706466728 /nfs/dbraw/zinc/46/67/28/706466728.db2.gz UJQDLLHFIRTDMZ-ZDUSSCGKSA-N 1 0 316.365 1.540 20 5 DDBDRO C[C@@H]([NH2+]C[C@H](O)COC[C@@H]1CCCO1)c1ccccc1[N+](=O)[O-] ZINC000880095341 706877416 /nfs/dbraw/zinc/87/74/16/706877416.db2.gz XWIDHAGSALNVLJ-RDBSUJKOSA-N 1 0 324.377 1.802 20 5 DDBDRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000880137798 706887379 /nfs/dbraw/zinc/88/73/79/706887379.db2.gz KVMDWBWLQJUECK-ARFHVFGLSA-N 1 0 305.378 1.797 20 5 DDBDRO CC(C)(O)[C@@H]1CC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000880148200 706892690 /nfs/dbraw/zinc/89/26/90/706892690.db2.gz SYCXPVRGVVWPLU-CHWSQXEVSA-N 1 0 324.377 1.427 20 5 DDBDRO CO[C@@H]1COCC[C@H]1[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000880434018 706974454 /nfs/dbraw/zinc/97/44/54/706974454.db2.gz VOMMNTDVPXIFIM-QLFBSQMISA-N 1 0 310.350 1.364 20 5 DDBDRO C[C@@H]1C[C@@H](NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CC[NH2+]1 ZINC000834682802 707102289 /nfs/dbraw/zinc/10/22/89/707102289.db2.gz XQNKSPLTBDRRCN-PWSUYJOCSA-N 1 0 317.349 1.201 20 5 DDBDRO C[C@H]([NH2+][C@@H]1CCc2nnn(C)c2C1)c1cccc([N+](=O)[O-])c1 ZINC000927147838 712947331 /nfs/dbraw/zinc/94/73/31/712947331.db2.gz RSTGYFXRQWSPFN-CMPLNLGQSA-N 1 0 301.350 1.931 20 5 DDBDRO C[N@@H+]1CC[C@H]2CN(Cn3ncc4ccc([N+](=O)[O-])cc43)CC[C@H]21 ZINC000872726655 707574157 /nfs/dbraw/zinc/57/41/57/707574157.db2.gz UEAOAUKBONLFGV-DZGCQCFKSA-N 1 0 315.377 1.928 20 5 DDBDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000837184906 707592914 /nfs/dbraw/zinc/59/29/14/707592914.db2.gz PBXCTGNZFLQMPV-LBPRGKRZSA-N 1 0 306.366 1.732 20 5 DDBDRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2c1nc2ccccn2c1[N+](=O)[O-] ZINC000872781391 707597517 /nfs/dbraw/zinc/59/75/17/707597517.db2.gz SNOOOTIVEXZASB-NEPJUHHUSA-N 1 0 301.350 1.915 20 5 DDBDRO CC1([NH+]2CCOCC2)CCN(c2ccnc(F)c2[N+](=O)[O-])CC1 ZINC000882661163 707736987 /nfs/dbraw/zinc/73/69/87/707736987.db2.gz VVCZVRKITAULLJ-UHFFFAOYSA-N 1 0 324.356 1.820 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C2(CO)CCSCC2)c1 ZINC000839179653 708033773 /nfs/dbraw/zinc/03/37/73/708033773.db2.gz NSVCBSSZIUGOGI-ZDUSSCGKSA-N 1 0 312.391 1.476 20 5 DDBDRO Cc1cnc(N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)c([N+](=O)[O-])c1 ZINC000897221609 708259260 /nfs/dbraw/zinc/25/92/60/708259260.db2.gz NSDXAKLRZJVJLE-OLZOCXBDSA-N 1 0 306.366 1.334 20 5 DDBDRO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3cccnc3[N+](=O)[O-])[C@H]2C1 ZINC000886208181 708715098 /nfs/dbraw/zinc/71/50/98/708715098.db2.gz XYPRVEMGSLNQCV-SOUVJXGZSA-N 1 0 318.377 1.726 20 5 DDBDRO COc1ccc(C[NH2+][C@@H](CO)C[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000886226911 708719615 /nfs/dbraw/zinc/71/96/15/708719615.db2.gz TWOYEDMONJSYHR-CHWSQXEVSA-N 1 0 310.350 1.623 20 5 DDBDRO O=c1c2ccc([N+](=O)[O-])cc2ncn1C[C@@H]1CCCC[NH2+]C1 ZINC000899623808 709129023 /nfs/dbraw/zinc/12/90/23/709129023.db2.gz JMOJPNJATKIWDI-LLVKDONJSA-N 1 0 302.334 1.694 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC000887934918 709171229 /nfs/dbraw/zinc/17/12/29/709171229.db2.gz ZQEMBTOGDZLXQJ-WBMJQRKESA-N 1 0 303.362 1.927 20 5 DDBDRO Cc1c(NC(=O)C[C@]2(O)CCC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC000899936072 709242905 /nfs/dbraw/zinc/24/29/05/709242905.db2.gz PHZBTSGRNWHWMH-OAHLLOKOSA-N 1 0 307.350 1.689 20 5 DDBDRO COc1cccc(C(=O)N2CCC23CC[NH+](C)CC3)c1[N+](=O)[O-] ZINC000889223006 709464109 /nfs/dbraw/zinc/46/41/09/709464109.db2.gz JGJJEJIGDJOWMH-UHFFFAOYSA-N 1 0 319.361 1.914 20 5 DDBDRO O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912910010 713121178 /nfs/dbraw/zinc/12/11/78/713121178.db2.gz BKDQTCMNTJJPGH-NSHDSACASA-N 1 0 319.317 1.244 20 5 DDBDRO Cc1nn(CCC(=O)N2CC[C@H]([NH+]3CCC3)C2)c(C)c1[N+](=O)[O-] ZINC000912917803 713123546 /nfs/dbraw/zinc/12/35/46/713123546.db2.gz NYLAJTODHGDTRN-ZDUSSCGKSA-N 1 0 321.381 1.105 20 5 DDBDRO C[C@@H](CNc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-])[NH+](C)C ZINC000891755781 710286076 /nfs/dbraw/zinc/28/60/76/710286076.db2.gz KYDHGOOFJYGPHH-JTQLQIEISA-N 1 0 304.350 1.809 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCN(c3cc[nH+]cc3CO)CC2)cn1 ZINC000891756011 710286308 /nfs/dbraw/zinc/28/63/08/710286308.db2.gz IJSRPKYSPNUNAC-UHFFFAOYSA-N 1 0 315.333 1.204 20 5 DDBDRO COc1cc([N+](=O)[O-])cnc1N1CC[NH+](C2CCOCC2)CC1 ZINC000892785777 710498198 /nfs/dbraw/zinc/49/81/98/710498198.db2.gz XLGYOLSQBMVEGY-UHFFFAOYSA-N 1 0 322.365 1.299 20 5 DDBDRO C[N@@H+]1CC[C@@](O)(CNc2c3cc(F)ccc3ncc2[N+](=O)[O-])C1 ZINC000893186702 710568326 /nfs/dbraw/zinc/56/83/26/710568326.db2.gz BBJCHRLMHFTBLK-OAHLLOKOSA-N 1 0 320.324 1.183 20 5 DDBDRO CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000902433225 710752625 /nfs/dbraw/zinc/75/26/25/710752625.db2.gz ZANDQFLJZKOHHN-UXIGCNINSA-N 1 0 321.377 1.582 20 5 DDBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000928560791 713227000 /nfs/dbraw/zinc/22/70/00/713227000.db2.gz VLOUWVGMLIPRFL-ZFWWWQNUSA-N 1 0 305.378 1.984 20 5 DDBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCCc1nnnn1C ZINC000903352169 711101437 /nfs/dbraw/zinc/10/14/37/711101437.db2.gz SPFZDSBPEXWJSB-JTQLQIEISA-N 1 0 322.344 1.411 20 5 DDBDRO O=C(CCN[C@@H]1CC[NH2+]C12CCC2)Nc1ccc([N+](=O)[O-])cc1 ZINC000903467381 711136067 /nfs/dbraw/zinc/13/60/67/711136067.db2.gz ATSDLMQXYQZPSV-CQSZACIVSA-N 1 0 318.377 1.798 20 5 DDBDRO [NH3+][C@H]1CN(CCn2ccc([N+](=O)[O-])n2)CC[C@@H]1C(F)(F)F ZINC000903540638 711179681 /nfs/dbraw/zinc/17/96/81/711179681.db2.gz XUVCHDMPOACHLC-IUCAKERBSA-N 1 0 307.276 1.003 20 5 DDBDRO C[C@H](Nc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1CN(C)CC[N@@H+]1C ZINC000895246827 711464629 /nfs/dbraw/zinc/46/46/29/711464629.db2.gz QNLVKDDNNJISRN-IINYFYTJSA-N 1 0 318.381 1.517 20 5 DDBDRO COC(=O)c1cnc(N2CC[C@H](CC[NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000895323880 711484164 /nfs/dbraw/zinc/48/41/64/711484164.db2.gz AVQMOPJTPYSXBV-NSHDSACASA-N 1 0 322.365 1.554 20 5 DDBDRO O=C(NCc1ccccc1[N+](=O)[O-])C1C[NH+](C2CCOCC2)C1 ZINC000895756624 711596980 /nfs/dbraw/zinc/59/69/80/711596980.db2.gz JCCSSPLKBBMGLB-UHFFFAOYSA-N 1 0 319.361 1.322 20 5 DDBDRO Cc1cc(NC[C@H]2CC[N@H+]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000895771042 711602091 /nfs/dbraw/zinc/60/20/91/711602091.db2.gz FYMFXSRAIYMIBY-CQSZACIVSA-N 1 0 313.361 1.898 20 5 DDBDRO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)[C@H]1C[N@H+](C)CCN1C ZINC000896570061 711755054 /nfs/dbraw/zinc/75/50/54/711755054.db2.gz XCFKTFONGULAJX-QMTHXVAHSA-N 1 0 324.356 1.098 20 5 DDBDRO CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]([NH2+]CC[N+](=O)[O-])C[C@H]2C1 ZINC000905287233 711993336 /nfs/dbraw/zinc/99/33/36/711993336.db2.gz ZWCVPJBCJITIDG-AVGNSLFASA-N 1 0 313.398 1.888 20 5 DDBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000906634115 712374660 /nfs/dbraw/zinc/37/46/60/712374660.db2.gz NVHGNRPXGPOVGH-MNOVXSKESA-N 1 0 321.402 1.998 20 5 DDBDRO CC(C)[NH2+]C1(CO)CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000908588427 712815862 /nfs/dbraw/zinc/81/58/62/712815862.db2.gz VZZMYQACGKLPHV-UHFFFAOYSA-N 1 0 321.377 1.560 20 5 DDBDRO O=C(CN1C[C@H]2C[NH2+]C[C@@H]2C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000917198854 713487147 /nfs/dbraw/zinc/48/71/47/713487147.db2.gz NCHBGQWJMJVWQS-NXEZZACHSA-N 1 0 324.768 1.338 20 5 DDBDRO CCC[N@H+](CC[N+](=O)[O-])[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000929526550 713630519 /nfs/dbraw/zinc/63/05/19/713630519.db2.gz SHBQAMDDKSNGEP-GFCCVEGCSA-N 1 0 301.387 1.985 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)CC[NH2+]C(C)(C)C ZINC000930316696 713801443 /nfs/dbraw/zinc/80/14/43/713801443.db2.gz VMOUAHNZTFQISL-UHFFFAOYSA-N 1 0 309.366 1.998 20 5 DDBDRO CC(C)(C)OC(=O)NC[C@]12CCC[C@H]1C[N@H+](CC[N+](=O)[O-])C2 ZINC000930848213 713936727 /nfs/dbraw/zinc/93/67/27/713936727.db2.gz YWYDPDBTJGMAIO-WFASDCNBSA-N 1 0 313.398 1.890 20 5 DDBDRO C[NH+](C)[C@@H]1[C@H]2CN(Cc3nc4cc([N+](=O)[O-])ccc4o3)C[C@H]21 ZINC000931279616 714055370 /nfs/dbraw/zinc/05/53/70/714055370.db2.gz MCCURBGBFPIIEY-HBYGRHMLSA-N 1 0 302.334 1.728 20 5 DDBDRO C[NH+](C)C1(C)CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000931355179 714075043 /nfs/dbraw/zinc/07/50/43/714075043.db2.gz ZBSBAZXLUPYCCV-UHFFFAOYSA-N 1 0 320.393 1.949 20 5 DDBDRO COc1cc(C[NH2+][C@H]2CCN(C)[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000922557439 714087758 /nfs/dbraw/zinc/08/77/58/714087758.db2.gz OEOVQLIWOIYUAL-PWSUYJOCSA-N 1 0 309.366 1.794 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000923457203 714362103 /nfs/dbraw/zinc/36/21/03/714362103.db2.gz HHUUEHJYJDJIGL-MELADBBJSA-N 1 0 321.377 1.018 20 5 DDBDRO Cn1cc(C[NH2+][C@](C)(CO)Cc2ccc(F)cc2)c([N+](=O)[O-])n1 ZINC000933443984 714590786 /nfs/dbraw/zinc/59/07/86/714590786.db2.gz JETRAYXDBFVYCO-HNNXBMFYSA-N 1 0 322.340 1.551 20 5 DDBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000925427316 714853337 /nfs/dbraw/zinc/85/33/37/714853337.db2.gz ZXYAVHYVZNODNI-AWEZNQCLSA-N 1 0 306.366 1.483 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000934889911 714925107 /nfs/dbraw/zinc/92/51/07/714925107.db2.gz KUJIQDSEROSXDY-QWHCGFSZSA-N 1 0 321.381 1.042 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[NH+](CC(C)C)CC2)n1 ZINC000285959995 719340358 /nfs/dbraw/zinc/34/03/58/719340358.db2.gz AJLSFQDDKONIIP-UHFFFAOYSA-N 1 0 322.365 1.554 20 5 DDBDRO O=C(NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccnnc1 ZINC001167277341 732886038 /nfs/dbraw/zinc/88/60/38/732886038.db2.gz PSDJLIZMZFNZKK-UHFFFAOYSA-N 1 0 315.333 1.295 20 5 DDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@H]2CCC[C@@H](C1)[N@H+]2CCC1CC1 ZINC001039583641 735104340 /nfs/dbraw/zinc/10/43/40/735104340.db2.gz SYHNUNMDKWWJIL-LXTVHRRPSA-N 1 0 307.394 1.517 20 5 DDBDRO CN(CCCN(C)c1ccc([N+](=O)[O-])cc1)C(=O)CC[NH+](C)C ZINC001112164640 740643389 /nfs/dbraw/zinc/64/33/89/740643389.db2.gz JAPQQQDIVKXTKA-UHFFFAOYSA-N 1 0 322.409 1.831 20 5 DDBDRO CC[NH+](CC)CC(=O)N(C)CCN(C)c1ncccc1[N+](=O)[O-] ZINC001105407985 740995916 /nfs/dbraw/zinc/99/59/16/740995916.db2.gz QBMTXSSWYMVWHG-UHFFFAOYSA-N 1 0 323.397 1.226 20 5 DDBDRO O=C(NCC[NH2+]Cc1ccc(C2CCC2)cc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126936250 742830695 /nfs/dbraw/zinc/83/06/95/742830695.db2.gz CQWBTLYUZRGGBM-HZPDHXFCSA-N 1 0 317.389 1.825 20 5 DDBDRO CCC(CC)n1ccc(CNCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 ZINC001126936644 742842521 /nfs/dbraw/zinc/84/25/21/742842521.db2.gz OFWRWESUNHTHKY-ZIAGYGMSSA-N 1 0 323.397 1.115 20 5 DDBDRO CC(C)[C@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)c1nncn1C ZINC001181645906 743272182 /nfs/dbraw/zinc/27/21/82/743272182.db2.gz IQAQRRYAHCCTRF-XIVSLSHWSA-N 1 0 319.369 1.610 20 5 DDBDRO O=C(NC1CC[NH+](CCCC2CCC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001002788970 743419202 /nfs/dbraw/zinc/41/92/02/743419202.db2.gz QRUDWOPPVOEPKV-HUUCEWRRSA-N 1 0 309.410 1.813 20 5 DDBDRO C[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001193897164 746230918 /nfs/dbraw/zinc/23/09/18/746230918.db2.gz BKEPZGVATJVOPQ-GHMZBOCLSA-N 1 0 318.333 1.848 20 5 DDBDRO COc1cc(C[NH2+]CCSCCCO)c([N+](=O)[O-])cc1O ZINC001200142512 748148392 /nfs/dbraw/zinc/14/83/92/748148392.db2.gz ZKRWAOIUDLLSKQ-UHFFFAOYSA-N 1 0 316.379 1.514 20 5 DDBDRO CC(C)OCC(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001124424788 748215089 /nfs/dbraw/zinc/21/50/89/748215089.db2.gz BXPRZZZJHITBKU-UHFFFAOYSA-N 1 0 301.368 1.287 20 5 DDBDRO CN1CCN(C(=[NH2+])Nc2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC001168736950 748483468 /nfs/dbraw/zinc/48/34/68/748483468.db2.gz TUMLPEJXCYFYDT-UHFFFAOYSA-N 1 0 314.349 1.737 20 5 DDBDRO CN(C)c1ccc(NC(=[NH2+])N2CCN(C)CC2)c([N+](=O)[O-])c1 ZINC001168741327 748746321 /nfs/dbraw/zinc/74/63/21/748746321.db2.gz XYAPEYGLKPACRB-UHFFFAOYSA-N 1 0 306.370 1.255 20 5 DDBDRO C[NH+](C)CCC(=O)NC/C=C\CNc1ccc([N+](=O)[O-])cc1 ZINC001107490083 750045920 /nfs/dbraw/zinc/04/59/20/750045920.db2.gz RHBGUPWMQJCQCM-ARJAWSKDSA-N 1 0 306.366 1.631 20 5 DDBDRO O=C(NCC[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccc(F)cc1 ZINC001168978421 762147543 /nfs/dbraw/zinc/14/75/43/762147543.db2.gz SAYWCWJNCHOYMY-BXUZGUMPSA-N 1 0 309.341 1.591 20 5 DDBDRO [NH3+]CC1(N(Cc2ccccc2)[C@H]2CC[C@H](C[N+](=O)[O-])C2)COC1 ZINC001168967188 762158233 /nfs/dbraw/zinc/15/82/33/762158233.db2.gz NZWNJWJCHKNPDA-HOTGVXAUSA-N 1 0 319.405 1.662 20 5 DDBDRO O=C(c1ccncc1)N1CC[C@@H]([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168994105 762167955 /nfs/dbraw/zinc/16/79/55/762167955.db2.gz PFTKVRYYCWFMOX-BPLDGKMQSA-N 1 0 318.377 1.331 20 5 DDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2ccccc2-n2cnnn2)C1 ZINC001168989841 762181261 /nfs/dbraw/zinc/18/12/61/762181261.db2.gz XAOBDNJLXRTTES-AAEUAGOBSA-N 1 0 302.338 1.197 20 5 DDBDRO COC(=O)c1ncc([N+](=O)[O-])c(C)c1-n1c(C)cnc1C[NH3+] ZINC001169028054 762184101 /nfs/dbraw/zinc/18/41/01/762184101.db2.gz GWSMAEQYQXNICK-UHFFFAOYSA-N 1 0 305.294 1.038 20 5 DDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CCC(Oc3ncccn3)CC2)C1 ZINC001169035298 762190901 /nfs/dbraw/zinc/19/09/01/762190901.db2.gz KDMUUJNZCPJGRC-STQMWFEESA-N 1 0 306.366 1.765 20 5 DDBDRO O=C([C@@H]1CCCC[N@H+]1[C@H]1CC[C@@H](C[N+](=O)[O-])C1)N1CCCC1 ZINC001169024988 762201791 /nfs/dbraw/zinc/20/17/91/762201791.db2.gz IKACOTZHJRNTKI-ILXRZTDVSA-N 1 0 309.410 1.909 20 5 DDBDRO CC(C)NC(=O)N[C@H]1CCC[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169052516 762208277 /nfs/dbraw/zinc/20/82/77/762208277.db2.gz GSFVCUQYRVUDRY-RDBSUJKOSA-N 1 0 312.414 1.604 20 5 DDBDRO COc1ccnc(O[C@@H]2CC[N@@H+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)c1 ZINC001169053572 762209230 /nfs/dbraw/zinc/20/92/30/762209230.db2.gz ITPPFICTYNWZHF-VNHYZAJKSA-N 1 0 321.377 1.989 20 5 DDBDRO O=[N+]([O-])c1cc(Cl)ncc1NCc1ncn2c1C[NH2+]CCC2 ZINC001169240815 762305903 /nfs/dbraw/zinc/30/59/03/762305903.db2.gz OVLRYDIIARKVBG-UHFFFAOYSA-N 1 0 322.756 1.945 20 5 DDBDRO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CC([NH2+]C)C1 ZINC001163702778 754782465 /nfs/dbraw/zinc/78/24/65/754782465.db2.gz OOKFHVWIXGQODC-UHFFFAOYSA-N 1 0 314.729 1.228 20 5 DDBDRO CCc1n[nH]c(C(=O)N2C[C@]3(C)C[NH+](C)C[C@@]3(C)C2)c1[N+](=O)[O-] ZINC000823484733 758318852 /nfs/dbraw/zinc/31/88/52/758318852.db2.gz SFZZBUBMNIXGRJ-GJZGRUSLSA-N 1 0 321.381 1.294 20 5 DDBDRO COc1nc(NCC23CC[NH+](CC2)CC3)nc(C)c1[N+](=O)[O-] ZINC001169794609 762677984 /nfs/dbraw/zinc/67/79/84/762677984.db2.gz RHIHKIZMYFSKEH-UHFFFAOYSA-N 1 0 307.354 1.600 20 5 DDBDRO O=C(COc1cccc([N+](=O)[O-])c1)N1CC([NH+]2CCCC2)C1 ZINC000827897518 759413296 /nfs/dbraw/zinc/41/32/96/759413296.db2.gz PECCCPRMEYXXMD-UHFFFAOYSA-N 1 0 305.334 1.280 20 5 DDBDRO COCC1(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001131311356 767984487 /nfs/dbraw/zinc/98/44/87/767984487.db2.gz VKOZQCVVCRMVLV-UHFFFAOYSA-N 1 0 307.350 1.227 20 5 DDBDRO COCC1(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCC1 ZINC001131426823 768123378 /nfs/dbraw/zinc/12/33/78/768123378.db2.gz WAIIVJYHOJUEJW-UHFFFAOYSA-N 1 0 321.377 1.617 20 5 DDBDRO C[C@H](Nc1ccc([N+](=O)[O-])c2cnccc12)[C@@H]1C[NH2+]CCO1 ZINC001170566127 768167094 /nfs/dbraw/zinc/16/70/94/768167094.db2.gz DRSKMFUZQWPUNG-BONVTDFDSA-N 1 0 302.334 1.932 20 5 DDBDRO C[C@H](Nc1ccnc2c1cccc2[N+](=O)[O-])[C@@H]1C[NH2+]CCO1 ZINC001170566441 768172440 /nfs/dbraw/zinc/17/24/40/768172440.db2.gz ANTHGHFSAJIDBD-HZMBPMFUSA-N 1 0 302.334 1.932 20 5 DDBDRO CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNc2cnc(F)c([N+](=O)[O-])c2)O1 ZINC001170285077 766239013 /nfs/dbraw/zinc/23/90/13/766239013.db2.gz VDEFPIVOYWXTLK-WZRBSPASSA-N 1 0 314.317 1.266 20 5 DDBDRO Cc1conc1C(=O)NCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001170317635 766248518 /nfs/dbraw/zinc/24/85/18/766248518.db2.gz IMPYPADRRILPMH-UHFFFAOYSA-N 1 0 324.362 1.862 20 5 DDBDRO CCc1ncoc1C(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001133584424 770015207 /nfs/dbraw/zinc/01/52/07/770015207.db2.gz UYNCTLJDVGCGFK-UHFFFAOYSA-N 1 0 318.333 1.665 20 5 DDBDRO O=[N+]([O-])c1cnc(N[C@H]2C[NH2+]C[C@@H]2CO)c(C(F)(F)F)c1 ZINC001170780694 771246910 /nfs/dbraw/zinc/24/69/10/771246910.db2.gz OBFJVZOWJKZBCD-MUWHJKNJSA-N 1 0 306.244 1.001 20 5 DDBDRO O=C(NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1nccs1 ZINC001135656942 771632641 /nfs/dbraw/zinc/63/26/41/771632641.db2.gz ZSOHOSZMWMBZCO-UHFFFAOYSA-N 1 0 306.347 1.571 20 5 DDBDRO C[NH+](C)CCC(=O)NC[C@H]1C[C@H](Nc2ncccc2[N+](=O)[O-])C1 ZINC001091512123 772795573 /nfs/dbraw/zinc/79/55/73/772795573.db2.gz BKZWPBINZZYPPS-HAQNSBGRSA-N 1 0 321.381 1.248 20 5 DDBDRO CCn1cnc(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001148033547 773340066 /nfs/dbraw/zinc/34/00/66/773340066.db2.gz UXWYVDHIDLXBSH-UHFFFAOYSA-N 1 0 317.349 1.331 20 5 DDBDRO COc1ncc([N+](=O)[O-])c(N2c3ccccc3OC[C@@H]2C[NH3+])n1 ZINC001171389670 774336186 /nfs/dbraw/zinc/33/61/86/774336186.db2.gz ONLGNXCTIZRXHN-VIFPVBQESA-N 1 0 317.305 1.251 20 5 DDBDRO [NH3+]C[C@H]1COc2ccccc2N1c1cnc(F)c([N+](=O)[O-])c1 ZINC001171393595 774376043 /nfs/dbraw/zinc/37/60/43/774376043.db2.gz LKTKKTHRBSQLEB-JTQLQIEISA-N 1 0 304.281 1.987 20 5 DDBDRO CC[NH+](CC)CC(=O)NCCNc1nccc(C)c1[N+](=O)[O-] ZINC001093646529 774946623 /nfs/dbraw/zinc/94/66/23/774946623.db2.gz DQYACCIORPIPAV-UHFFFAOYSA-N 1 0 309.370 1.168 20 5 DDBDRO O=C(C[NH+]1CCCC1)NCC1(Nc2ccccc2[N+](=O)[O-])CC1 ZINC001110149868 775111823 /nfs/dbraw/zinc/11/18/23/775111823.db2.gz DJXVEHYRWONFSR-UHFFFAOYSA-N 1 0 318.377 1.751 20 5 DDBDRO Cc1cc(NCCNC(=O)C2(C[NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC001094089642 775422822 /nfs/dbraw/zinc/42/28/22/775422822.db2.gz DPQFWENGHBVMIA-UHFFFAOYSA-N 1 0 320.393 1.773 20 5 DDBDRO C[NH+](C)C1(C(=O)NCCCNc2ccc([N+](=O)[O-])cn2)CCC1 ZINC001094621554 776142455 /nfs/dbraw/zinc/14/24/55/776142455.db2.gz DQZUDMZPXKOHBS-UHFFFAOYSA-N 1 0 321.381 1.392 20 5 DDBDRO O=[N+]([O-])c1c(NCCOC2CCCCC2)ncnc1C1C[NH2+]C1 ZINC001171477657 776312620 /nfs/dbraw/zinc/31/26/20/776312620.db2.gz LMZRCDWYGBLZRC-UHFFFAOYSA-N 1 0 321.381 1.833 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@H]1C=CS(=O)(=O)C1)CC2 ZINC001172899751 776915140 /nfs/dbraw/zinc/91/51/40/776915140.db2.gz PCUYOEZYKVUONR-KGLIPLIRSA-N 1 0 322.386 1.743 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CCn2ccnn2)c1F ZINC001173175735 777033999 /nfs/dbraw/zinc/03/39/99/777033999.db2.gz RCUBKMHSNXZOAH-SNVBAGLBSA-N 1 0 323.328 1.555 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@@H]2CCN(C)C2)c1F ZINC001173177225 777034578 /nfs/dbraw/zinc/03/45/78/777034578.db2.gz RTMOIQRAZUDSER-WDEREUQCSA-N 1 0 311.357 1.967 20 5 DDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C[C@@H](O)CO)C(C)(C)C ZINC001173222151 777055033 /nfs/dbraw/zinc/05/50/33/777055033.db2.gz PNQWIGZJUBOLLT-SWLSCSKDSA-N 1 0 310.394 1.980 20 5 DDBDRO CNC(=O)C1CC[NH+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173223923 777058041 /nfs/dbraw/zinc/05/80/41/777058041.db2.gz BRPUSZKGJSZHSM-LBPRGKRZSA-N 1 0 305.378 1.984 20 5 DDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H]2CCNC(=O)[C@@H]2C1 ZINC001173235448 777064520 /nfs/dbraw/zinc/06/45/20/777064520.db2.gz XENVBRJAJUWXLR-OSAQELSMSA-N 1 0 303.362 1.594 20 5 DDBDRO CC(C)[N@H+](C)CC(=O)N(C)CCNc1ccccc1[N+](=O)[O-] ZINC001101657547 777352582 /nfs/dbraw/zinc/35/25/82/777352582.db2.gz CUCYMJSFOATKMH-UHFFFAOYSA-N 1 0 308.382 1.805 20 5 DDBDRO Cc1cc(NCCN(C)C(=O)C[N@@H+](C)C(C)C)ncc1[N+](=O)[O-] ZINC001101657572 777352942 /nfs/dbraw/zinc/35/29/42/777352942.db2.gz DUYOMWARAXNOIR-UHFFFAOYSA-N 1 0 323.397 1.509 20 5 DDBDRO CN(CCNc1ccc([N+](=O)[O-])cn1)C(=O)C1(C[NH+](C)C)CC1 ZINC001101917249 777676026 /nfs/dbraw/zinc/67/60/26/777676026.db2.gz DKEOAOGTGBHKNC-UHFFFAOYSA-N 1 0 321.381 1.202 20 5 DDBDRO C[C@@H]1CN(C(=O)c2c[nH]nc2[N+](=O)[O-])CCN1c1cc[nH+]cc1 ZINC001176173494 778061317 /nfs/dbraw/zinc/06/13/17/778061317.db2.gz SESLYJZTCWCJJH-SNVBAGLBSA-N 1 0 316.321 1.064 20 5 DDBDRO CCC1(CC)CNC(=O)[C@@H]1[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001176454026 778153232 /nfs/dbraw/zinc/15/32/32/778153232.db2.gz YETDAIOOQVMTAE-KGLIPLIRSA-N 1 0 321.377 1.523 20 5 DDBDRO Cc1cc(C[NH2+]CCCCCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])on1 ZINC001178458328 779058096 /nfs/dbraw/zinc/05/80/96/779058096.db2.gz ATYCBBJOHQMPED-ZIAGYGMSSA-N 1 0 324.381 1.414 20 5 DDBDRO Cc1nn(C)c(C(=O)N[C@@H]2CCCC[C@@H]2[NH+](C)C)c1[N+](=O)[O-] ZINC001116031332 780468734 /nfs/dbraw/zinc/46/87/34/780468734.db2.gz DZUSQMBDGXKDRN-MNOVXSKESA-N 1 0 309.370 1.239 20 5 DDBDRO O=C([C@@H](F)[C@@H]1CC[NH2+]C1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001119236799 781373559 /nfs/dbraw/zinc/37/35/59/781373559.db2.gz DEXPPEYOVARPBJ-RISCZKNCSA-N 1 0 307.325 1.427 20 5 DDBDRO COCC[NH+]1CCN(c2ncc([N+](=O)[O-])c3ccccc32)CC1 ZINC001119336783 781410951 /nfs/dbraw/zinc/41/09/51/781410951.db2.gz DKJKGUKEULLZPP-UHFFFAOYSA-N 1 0 316.361 1.911 20 5 DDBDRO [NH3+]CCCC(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC001119374935 781427518 /nfs/dbraw/zinc/42/75/18/781427518.db2.gz JZUZHDZUBCRFJN-UHFFFAOYSA-N 1 0 316.155 1.712 20 5 DDBDRO Cc1sc(C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)cc1[N+](=O)[O-] ZINC001119383104 781430179 /nfs/dbraw/zinc/43/01/79/781430179.db2.gz UFEJIPWMWKHFAI-QMMMGPOBSA-N 1 0 319.333 1.939 20 5 DDBDRO CC[N@@H+]1CC[C@H]1CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001119444481 781455177 /nfs/dbraw/zinc/45/51/77/781455177.db2.gz ZNNWWYYEQHIKAM-HNNXBMFYSA-N 1 0 318.377 1.757 20 5 DDBDRO COc1cc(C[N@H+](C)CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])ccc1C ZINC001267194313 837510147 /nfs/dbraw/zinc/51/01/47/837510147.db2.gz NHIKWCBVCCJHMC-ZIAGYGMSSA-N 1 0 321.377 1.217 20 5 DDBDRO CN(CC[NH2+]Cc1c([N+](=O)[O-])ncn1C)C(=O)CC(C)(C)C ZINC001267347293 837877911 /nfs/dbraw/zinc/87/79/11/837877911.db2.gz RUFXBAIDMTUIHB-UHFFFAOYSA-N 1 0 311.386 1.313 20 5 DDBDRO O=C(NC/C=C/C[NH2+]CCc1ccccc1F)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001268543987 840422436 /nfs/dbraw/zinc/42/24/36/840422436.db2.gz YFWJYDZPARIGDR-PRXHZCDDSA-N 1 0 321.352 1.295 20 5 DDBDRO O=C(NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccc[nH]1 ZINC001154562613 861221897 /nfs/dbraw/zinc/22/18/97/861221897.db2.gz FOYRQHONFAGFBC-UHFFFAOYSA-N 1 0 302.334 1.833 20 5 DDBDRO C[NH+](C)C[C@@H]1COCCN1c1cc([N+](=O)[O-])c2cc[nH]c2n1 ZINC001154975695 861616828 /nfs/dbraw/zinc/61/68/28/861616828.db2.gz FNFVUZUDVMVZEB-SNVBAGLBSA-N 1 0 305.338 1.238 20 5 DDBDRO COc1ncnc(-n2c3ccccc3nc2[C@H](C)[NH3+])c1[N+](=O)[O-] ZINC001155254742 861900306 /nfs/dbraw/zinc/90/03/06/861900306.db2.gz NZEQMNQBAZNDOS-QMMMGPOBSA-N 1 0 314.305 1.752 20 5 DDBDRO Cc1c(C)c(NCc2nnc3n2CCC[NH2+]C3)ncc1[N+](=O)[O-] ZINC001155430259 862078347 /nfs/dbraw/zinc/07/83/47/862078347.db2.gz KDXUPQMXBWOOPZ-UHFFFAOYSA-N 1 0 317.353 1.304 20 5 DDBDRO O=[N+]([O-])c1ccc2c(ccnc2N[C@@H]2COCCC23C[NH2+]C3)c1 ZINC001155472101 862127727 /nfs/dbraw/zinc/12/77/27/862127727.db2.gz YFTWFLRDLKELLM-CQSZACIVSA-N 1 0 314.345 1.933 20 5 DDBDRO O=[N+]([O-])c1cnc(Cl)nc1N[C@H]1CCO[C@@]2(CC[NH2+]C2)C1 ZINC001155619270 862297969 /nfs/dbraw/zinc/29/79/69/862297969.db2.gz OVENNTQZYBKECM-UFBFGSQYSA-N 1 0 313.745 1.361 20 5 DDBDRO C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)[C@@H](C)C[NH2+]1 ZINC001121931898 858638515 /nfs/dbraw/zinc/63/85/15/858638515.db2.gz TVHKSQRTXKKURK-BAESOJJISA-N 1 0 303.362 1.907 20 5 DDBDRO O=C(NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)C1CCOCC1 ZINC001122492167 858850703 /nfs/dbraw/zinc/85/07/03/858850703.db2.gz HIUSTPUWUHQPAD-UHFFFAOYSA-N 1 0 307.350 1.227 20 5 DDBDRO Cc1noc(C)c1C(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001123363853 859196317 /nfs/dbraw/zinc/19/63/17/859196317.db2.gz UTNZDSNXAAHOOF-UHFFFAOYSA-N 1 0 324.362 1.781 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N[C@H]1CC[N@@H+](C2CCC2)C1 ZINC001161176206 859944822 /nfs/dbraw/zinc/94/48/22/859944822.db2.gz SZOUPKKMLWWOCT-JTQLQIEISA-N 1 0 320.349 1.815 20 5 DDBDRO O=C(NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1cccnc1 ZINC001154175245 860842093 /nfs/dbraw/zinc/84/20/93/860842093.db2.gz LABHUWPAIXVVBB-UHFFFAOYSA-N 1 0 314.345 1.900 20 5 DDBDRO Cc1ncc(C[NH3+])c(=N)n1-c1ccc2c(cccc2[N+](=O)[O-])n1 ZINC001156828550 863371750 /nfs/dbraw/zinc/37/17/50/863371750.db2.gz AXKBYHUOEITDPT-UHFFFAOYSA-N 1 0 310.317 1.575 20 5 DDBDRO Cc1ncc(C[NH3+])c(=N)n1-c1ccc([N+](=O)[O-])c(OC(C)C)n1 ZINC001156830431 863375951 /nfs/dbraw/zinc/37/59/51/863375951.db2.gz IZDGDGWWBUWQHC-UHFFFAOYSA-N 1 0 318.337 1.209 20 5 DDBDRO [NH3+]CCc1ccn(-c2cc([N+](=O)[O-])cc3c(Cl)ncnc32)n1 ZINC001156905809 863434982 /nfs/dbraw/zinc/43/49/82/863434982.db2.gz ZWLLGOTVBGGMOA-UHFFFAOYSA-N 1 0 318.724 1.878 20 5 DDBDRO CCC[NH+]1C[C@H]2CN(c3ccc([N+](=O)[O-])c(OC)n3)C[C@@H]2C1 ZINC001157688025 864045322 /nfs/dbraw/zinc/04/53/22/864045322.db2.gz ALSCOCVADGVFHO-RYUDHWBXSA-N 1 0 306.366 1.776 20 5 DDBDRO CCOC(=O)c1ccnc(N2CCC[C@H]([NH3+])[C@@H]2C)c1[N+](=O)[O-] ZINC001157748158 864098466 /nfs/dbraw/zinc/09/84/66/864098466.db2.gz SYVHBDNZPTXBEV-ONGXEEELSA-N 1 0 308.338 1.483 20 5 DDBDRO O=C(NCCC[NH2+]CCCc1ccsc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157767469 864118102 /nfs/dbraw/zinc/11/81/02/864118102.db2.gz NQTMCSOVLVLZEF-CHWSQXEVSA-N 1 0 311.407 1.442 20 5 DDBDRO O=C(NCCC[NH2+]Cc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC001154108547 864414304 /nfs/dbraw/zinc/41/43/04/864414304.db2.gz FNTPGGXAUBTJOR-UHFFFAOYSA-N 1 0 321.377 1.617 20 5 DDBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC001158180244 864472535 /nfs/dbraw/zinc/47/25/35/864472535.db2.gz XEQXSHZRTRODMH-UWVGGRQHSA-N 1 0 308.338 1.353 20 5 DDBDRO [NH3+][C@@H](CO)Cc1cncn1-c1ccc2c(cccc2[N+](=O)[O-])n1 ZINC001158204897 864487155 /nfs/dbraw/zinc/48/71/55/864487155.db2.gz UNWJWDGUHQGNEM-SNVBAGLBSA-N 1 0 313.317 1.191 20 5 DDBDRO O=[N+]([O-])c1cc(Cl)cc(NCc2ncn3c2C[NH2+]CCC3)n1 ZINC001158359401 864602408 /nfs/dbraw/zinc/60/24/08/864602408.db2.gz MMSZMKBBOHJXTH-UHFFFAOYSA-N 1 0 322.756 1.945 20 5 DDBDRO O=[N+]([O-])c1ccccc1-c1ccc(N2CC[NH2+]C3(CC3)C2)nn1 ZINC001158938189 864985357 /nfs/dbraw/zinc/98/53/57/864985357.db2.gz RWDIYKYVANQVDG-UHFFFAOYSA-N 1 0 311.345 1.994 20 5 DDBDRO [NH3+]Cc1ccc2nnn(-c3cnc4cc([N+](=O)[O-])ccc4n3)c2c1 ZINC001159026905 865053868 /nfs/dbraw/zinc/05/38/68/865053868.db2.gz QWLMMVHAOAHZID-UHFFFAOYSA-N 1 0 321.300 1.731 20 5 DDBDRO [NH3+][C@@H]1CCc2c3ccccc3n(-c3cc([N+](=O)[O-])cc[n+]3[O-])c2C1 ZINC001159948282 865611230 /nfs/dbraw/zinc/61/12/30/865611230.db2.gz UDIMPIPXHFYNCA-LLVKDONJSA-N 1 0 324.340 1.988 20 5 DDBDRO Cn1c(C(=O)N2CCC3(CC2)CC[NH+](C)CC3)ccc1[N+](=O)[O-] ZINC001332177256 865640708 /nfs/dbraw/zinc/64/07/08/865640708.db2.gz LVFGGZXTIWGQDK-UHFFFAOYSA-N 1 0 320.393 1.881 20 5 DDBDRO Nc1cc([N+](=O)[O-])cnc1N1c2ccccc2OC[C@@H]1C[NH3+] ZINC001160200317 865725038 /nfs/dbraw/zinc/72/50/38/865725038.db2.gz MWKOBKGPCSLEBP-JTQLQIEISA-N 1 0 301.306 1.430 20 5 DDBDRO [NH2+]=C(Cc1ccc(O[C@H](C[N+](=O)[O-])c2cccnc2)cc1)NO ZINC001225547463 881900867 /nfs/dbraw/zinc/90/08/67/881900867.db2.gz XIGCJAOLNRMVOO-CQSZACIVSA-N 1 0 316.317 1.977 20 5 DDBDRO COc1cccc2c1c(C[NH3+])cn2-c1cc([N+](=O)[O-])cc[n+]1[O-] ZINC001160760373 866103520 /nfs/dbraw/zinc/10/35/20/866103520.db2.gz YDGUTUCFKZVRFL-UHFFFAOYSA-N 1 0 314.301 1.639 20 5 DDBDRO [NH3+]Cc1ccccc1CNc1c(Cl)[n+]([O-])ccc1[N+](=O)[O-] ZINC001160907232 866180629 /nfs/dbraw/zinc/18/06/29/866180629.db2.gz LWNSWZNWAKXRIP-UHFFFAOYSA-N 1 0 308.725 1.952 20 5 DDBDRO COCCC1(CNc2cc(OC)c([N+](=O)[O-])cn2)CC[NH2+]CC1 ZINC001161503113 866719952 /nfs/dbraw/zinc/71/99/52/866719952.db2.gz BYOISEMDANSIEL-UHFFFAOYSA-N 1 0 324.381 1.817 20 5 DDBDRO CCOC(=O)[C@@H]1C[C@H]1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC001333486719 866786470 /nfs/dbraw/zinc/78/64/70/866786470.db2.gz NRWCROYFSFKPNO-WCQYABFASA-N 1 0 322.365 1.627 20 5 DDBDRO CCN(C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)[C@@H]1CC[NH2+]C1 ZINC001333752942 866984852 /nfs/dbraw/zinc/98/48/52/866984852.db2.gz YEXPWZURFQIWBG-CYBMUJFWSA-N 1 0 318.377 1.993 20 5 DDBDRO COCCC1([NH3+])CCN(c2ccc([N+](=O)[O-])c(OC)n2)CC1 ZINC001162041330 867211996 /nfs/dbraw/zinc/21/19/96/867211996.db2.gz GIOWKJWYDIOZOW-UHFFFAOYSA-N 1 0 310.354 1.333 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC001334668960 867755331 /nfs/dbraw/zinc/75/53/31/867755331.db2.gz LTBGHSLRDHYZIS-BZNIZROVSA-N 1 0 318.377 1.614 20 5 DDBDRO CCOC1(OCC)CC[NH2+]C[C@@H]1Nc1nc(C)ccc1[N+](=O)[O-] ZINC001162733947 867785866 /nfs/dbraw/zinc/78/58/66/867785866.db2.gz WAHBOGQAYQLULS-ZDUSSCGKSA-N 1 0 324.381 1.841 20 5 DDBDRO O=[N+]([O-])c1ccc2nc(NC[C@@H]3CC[NH2+]C[C@@H]3F)cnc2c1 ZINC001162801553 867834782 /nfs/dbraw/zinc/83/47/82/867834782.db2.gz BIKKOPIVMCLULX-ONGXEEELSA-N 1 0 305.313 1.898 20 5 DDBDRO COC(=O)[C@@H](Nc1ccc(N(C)C)cc1[N+](=O)[O-])C(C)(C)[NH3+] ZINC001162949835 867938051 /nfs/dbraw/zinc/93/80/51/867938051.db2.gz MGVIPGKYCNIZEY-GFCCVEGCSA-N 1 0 310.354 1.352 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])ncc1N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC001162987330 867975554 /nfs/dbraw/zinc/97/55/54/867975554.db2.gz DRMSNWLCDHMMTG-SMDDNHRTSA-N 1 0 306.322 1.473 20 5 DDBDRO O=[N+]([O-])c1ccc(Cl)c(NCc2nnc3n2CCC[NH2+]C3)c1 ZINC001163017856 868005568 /nfs/dbraw/zinc/00/55/68/868005568.db2.gz ZTSZLNHKEWFAPK-UHFFFAOYSA-N 1 0 322.756 1.945 20 5 DDBDRO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)c1cccc([N+](=O)[O-])c1N ZINC001322336427 868119481 /nfs/dbraw/zinc/11/94/81/868119481.db2.gz KYWBDCOSVUJELG-NWDGAFQWSA-N 1 0 306.366 1.780 20 5 DDBDRO O=C1C[C@@H]2[NH2+]CC[C@]2(Nc2nccc3c2cccc3[N+](=O)[O-])N1 ZINC001163236014 868241056 /nfs/dbraw/zinc/24/10/56/868241056.db2.gz DIYPEPWMVJSPLU-SWLSCSKDSA-N 1 0 313.317 1.133 20 5 DDBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCCCC[NH2+]1 ZINC001335410082 868278504 /nfs/dbraw/zinc/27/85/04/868278504.db2.gz ZWGVMGBNJGRSOR-AWEZNQCLSA-N 1 0 320.393 1.969 20 5 DDBDRO C[N@@H+]1C[C@H]2CCN(C(=O)NCCc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC001335422080 868286478 /nfs/dbraw/zinc/28/64/78/868286478.db2.gz QPNBIYDLVCBQAI-UKRRQHHQSA-N 1 0 318.377 1.483 20 5 DDBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC001163274371 868295781 /nfs/dbraw/zinc/29/57/81/868295781.db2.gz NZLXJJBHPREWNJ-AWEZNQCLSA-N 1 0 314.345 1.663 20 5 DDBDRO COc1cccc([C@H](C[NH3+])Nc2ncc([N+](=O)[O-])cc2N)c1 ZINC001163310094 868338009 /nfs/dbraw/zinc/33/80/09/868338009.db2.gz RVQMKHHYQPDONQ-ZDUSSCGKSA-N 1 0 303.322 1.693 20 5 DDBDRO COC(=O)c1ccnc(N2C[C@@H](C)CC[C@H]2C[NH3+])c1[N+](=O)[O-] ZINC001164073534 868925981 /nfs/dbraw/zinc/92/59/81/868925981.db2.gz LUYXYAVVBJYANO-UWVGGRQHSA-N 1 0 308.338 1.340 20 5 DDBDRO COc1cc(NCC2([NH+](C)C)CCN(C)CC2)cnc1[N+](=O)[O-] ZINC001164213573 869022546 /nfs/dbraw/zinc/02/25/46/869022546.db2.gz WVWQACSTAGMYBI-UHFFFAOYSA-N 1 0 323.397 1.436 20 5 DDBDRO O=C(NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1)[C@H]1[C@@H]2COC[C@@H]21 ZINC001164268875 869075343 /nfs/dbraw/zinc/07/53/43/869075343.db2.gz SMOHPMVONVXRHV-FICVDOATSA-N 1 0 319.361 1.083 20 5 DDBDRO COC(=O)c1cnc(N2C[C@H](C[NH3+])CC[C@@H]2C)c([N+](=O)[O-])c1 ZINC001164463063 869209908 /nfs/dbraw/zinc/20/99/08/869209908.db2.gz WJHJYHYZMLDDOY-UWVGGRQHSA-N 1 0 308.338 1.340 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@H](C[NH3+])CC[C@H]2C)n1 ZINC001164473493 869219257 /nfs/dbraw/zinc/21/92/57/869219257.db2.gz GRZQFNKBYCGXNX-ZJUUUORDSA-N 1 0 308.338 1.340 20 5 DDBDRO [NH3+][C@H]1CN(C(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)C[C@@H]1F ZINC001165121785 869390583 /nfs/dbraw/zinc/39/05/83/869390583.db2.gz WPQZCQVIZJRBQQ-BQBZGAKWSA-N 1 0 310.663 1.674 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)ncnc2N1CC[C@@H]2[NH2+]CCO[C@H]2C1 ZINC001165270425 869481870 /nfs/dbraw/zinc/48/18/70/869481870.db2.gz FDNYJMNGHKFRMY-JSGCOSHPSA-N 1 0 315.333 1.105 20 5 DDBDRO C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC001338473112 869997602 /nfs/dbraw/zinc/99/76/02/869997602.db2.gz HCLUDGAQIJPYKM-TZMCWYRMSA-N 1 0 320.393 1.682 20 5 DDBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N2CC[C@H]([NH3+])C(F)(F)C2)n1 ZINC001166960426 870422922 /nfs/dbraw/zinc/42/29/22/870422922.db2.gz IRGVRPYVIILTNF-LURJTMIESA-N 1 0 307.688 1.519 20 5 DDBDRO C[NH+]1CCN(c2ncccc2Nc2ccc([N+](=O)[O-])nc2)CC1 ZINC001203566784 870645950 /nfs/dbraw/zinc/64/59/50/870645950.db2.gz PIMCSLDYOJFVGK-UHFFFAOYSA-N 1 0 314.349 1.880 20 5 DDBDRO COC(=O)c1ccnc(N[C@@H]2CC[C@@H]3C[N@H+](C)C[C@H]23)c1[N+](=O)[O-] ZINC001339998975 870830467 /nfs/dbraw/zinc/83/04/67/870830467.db2.gz LEMQLKCQLXUNRB-ADEWGFFLSA-N 1 0 320.349 1.529 20 5 DDBDRO CCn1c(CCC[N+](=O)[O-])nnc1N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC001340021301 870845568 /nfs/dbraw/zinc/84/55/68/870845568.db2.gz RTJBFQCCISPCDV-OLZOCXBDSA-N 1 0 322.413 1.038 20 5 DDBDRO C[NH+](C)CCc1cccc(C(=O)Nc2cc([N+](=O)[O-])n[nH]2)c1 ZINC001303574863 871138084 /nfs/dbraw/zinc/13/80/84/871138084.db2.gz MNRBNCBONNZVRH-UHFFFAOYSA-N 1 0 303.322 1.674 20 5 DDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)NCC[C@@H]1CSCC[NH2+]1 ZINC001340525579 871172173 /nfs/dbraw/zinc/17/21/73/871172173.db2.gz IXQWYPNXSDCPES-SNVBAGLBSA-N 1 0 324.406 1.461 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[NH+]2CCC1CC2 ZINC001304524011 871219407 /nfs/dbraw/zinc/21/94/07/871219407.db2.gz FHSBTYYOQMKLRE-ZDUSSCGKSA-N 1 0 303.362 1.975 20 5 DDBDRO [NH3+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC[C@H]1F ZINC001340659560 871264951 /nfs/dbraw/zinc/26/49/51/871264951.db2.gz HDWDBSGBOPZFHI-REWJHTLYSA-N 1 0 307.325 1.596 20 5 DDBDRO COc1ccc(NC(=O)CC[N@@H+]2CC=C[C@H]2CO)c([N+](=O)[O-])c1 ZINC001308033123 871460972 /nfs/dbraw/zinc/46/09/72/871460972.db2.gz LMKWLZUHFXJTMY-NSHDSACASA-N 1 0 321.333 1.165 20 5 DDBDRO C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC001341636895 871749839 /nfs/dbraw/zinc/74/98/39/871749839.db2.gz HPYAYSBCHGMNFA-BXKDBHETSA-N 1 0 300.318 1.481 20 5 DDBDRO C[C@@H](NC(=O)NCC[N@@H+]1CC[C@H](O)C1)c1ccccc1[N+](=O)[O-] ZINC001313241629 871784539 /nfs/dbraw/zinc/78/45/39/871784539.db2.gz FRHGCICRFHQHGU-NEPJUHHUSA-N 1 0 322.365 1.022 20 5 DDBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@@H]1C[C@H]([NH3+])[C@H]3C[C@H]31)CC2 ZINC001341925438 871899840 /nfs/dbraw/zinc/89/98/40/871899840.db2.gz HJMJWGNYZSNJOM-XQHKEYJVSA-N 1 0 301.346 1.776 20 5 DDBDRO C[N@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC1CC2(CCC2)C1 ZINC001316824309 872119392 /nfs/dbraw/zinc/11/93/92/872119392.db2.gz WOIOAEQWCQRPJV-ZIAGYGMSSA-N 1 0 309.410 1.670 20 5 DDBDRO O=C(COc1ccccc1[N+](=O)[O-])N1CCC[C@@]12CC[NH2+]C2 ZINC001343032224 872475017 /nfs/dbraw/zinc/47/50/17/872475017.db2.gz JHBFMZCOIVSCBP-HNNXBMFYSA-N 1 0 305.334 1.328 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N(C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001346342941 873708385 /nfs/dbraw/zinc/70/83/85/873708385.db2.gz BRZOYAWNFBGDFF-JYAVWHMHSA-N 1 0 303.362 1.810 20 5 DDBDRO C[NH2+]C[C@H](C)CNC(=O)NC[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001346460900 873762218 /nfs/dbraw/zinc/76/22/18/873762218.db2.gz ATARIOFRCARECF-RYUDHWBXSA-N 1 0 308.382 1.853 20 5 DDBDRO Cc1cc2c(ncnc2OC(=O)C[C@@H](O)C[N+](C)(C)C)s1 ZINC001227052920 882798046 /nfs/dbraw/zinc/79/80/46/882798046.db2.gz JDGUGRZMFKONAB-SNVBAGLBSA-N 1 0 310.399 1.362 20 5 DDBDRO CC[NH+](CC)CC[C@H](C)NC(=O)Cn1cc([N+](=O)[O-])nc1C ZINC001348371648 874517806 /nfs/dbraw/zinc/51/78/06/874517806.db2.gz ONUSRXFJGRKNIW-NSHDSACASA-N 1 0 311.386 1.336 20 5 DDBDRO COCC1(C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)CC[NH2+]CC1 ZINC001349112529 874976138 /nfs/dbraw/zinc/97/61/38/874976138.db2.gz LFRLZGMAQNTAFB-UHFFFAOYSA-N 1 0 319.361 1.453 20 5 DDBDRO C[NH2+][C@@H](C)CCNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC001349306616 875105293 /nfs/dbraw/zinc/10/52/93/875105293.db2.gz LZUYKOKNBSLBTI-NSHDSACASA-N 1 0 315.395 1.055 20 5 DDBDRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001351538906 876311994 /nfs/dbraw/zinc/31/19/94/876311994.db2.gz LSFCOVRQPAQKOD-UONOGXRCSA-N 1 0 304.350 1.761 20 5 DDBDRO Cc1cncc([N+](=O)[O-])c1NC(=O)NCC[NH+]1CCCCCC1 ZINC001216474329 876954102 /nfs/dbraw/zinc/95/41/02/876954102.db2.gz KVMVSAQFGBDYES-UHFFFAOYSA-N 1 0 321.381 1.718 20 5 DDBDRO CN(C)c1ccccc1C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001353287557 877231649 /nfs/dbraw/zinc/23/16/49/877231649.db2.gz JUACWKJLKDODHJ-CQSZACIVSA-N 1 0 319.365 1.008 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H](OC[C@H]1C[C@H]3CC[NH2+]C[C@@H]3O1)C2 ZINC001217788172 877323039 /nfs/dbraw/zinc/32/30/39/877323039.db2.gz GZLJKVMEHCDJPM-YYQUZTFQSA-N 1 0 318.373 1.846 20 5 DDBDRO CC(=O)Nc1cc(O[C@@H]2CCC[NH2+]C2)c(C(C)=O)cc1[N+](=O)[O-] ZINC001218283700 877444838 /nfs/dbraw/zinc/44/48/38/877444838.db2.gz KYFRMVGZEYEVFE-LLVKDONJSA-N 1 0 321.333 1.887 20 5 DDBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@@H]1[C@@H]3CC[NH2+]C[C@@H]31)CC2 ZINC001353844451 877605559 /nfs/dbraw/zinc/60/55/59/877605559.db2.gz NRKHIHGBZLBYRP-TYNCELHUSA-N 1 0 301.346 1.648 20 5 DDBDRO O=C(CCc1cc(F)ccc1[N+](=O)[O-])NCCC[NH2+]C1CC1 ZINC001354130678 877770685 /nfs/dbraw/zinc/77/06/85/877770685.db2.gz DAICOLHCZMAPGD-UHFFFAOYSA-N 1 0 309.341 1.925 20 5 DDBDRO C[NH+](C)[C@@H]1C[C@H](NC[C@H](O)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC001357242084 879875651 /nfs/dbraw/zinc/87/56/51/879875651.db2.gz LCWWDTNASGXJFY-SOUVJXGZSA-N 1 0 307.394 1.947 20 5 DDBDRO O=C(NCC12CC(C1)C[NH2+]2)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001357874470 880235410 /nfs/dbraw/zinc/23/54/10/880235410.db2.gz VFJGHEHLBAHBHE-BNTIEQFTSA-N 1 0 301.346 1.567 20 5 DDBDRO CC(C)c1nc(COC(=O)C[C@@H](O)C[N+](C)(C)C)cs1 ZINC001222990401 880772937 /nfs/dbraw/zinc/77/29/37/880772937.db2.gz LBRNOIBJJOFYIM-GFCCVEGCSA-N 1 0 301.432 1.767 20 5 DDBDRO COC(=O)c1cccc(CO[C@@H](C)C[N+](C)(C)C)c1[N+](=O)[O-] ZINC001223662676 881049661 /nfs/dbraw/zinc/04/96/61/881049661.db2.gz NCXPAIBLCAYAOY-NSHDSACASA-N 1 0 311.358 1.993 20 5 DDBDRO COC(=O)c1cccc(C)c1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001228403623 883482613 /nfs/dbraw/zinc/48/26/13/883482613.db2.gz WKMWGURIKMPARJ-GFCCVEGCSA-N 1 0 310.370 1.144 20 5 DDBDRO Cc1[nH]c2ccccc2c(=O)c1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001228962036 883749982 /nfs/dbraw/zinc/74/99/82/883749982.db2.gz DMBOIDRLCRXVLP-GFCCVEGCSA-O 1 0 319.381 1.199 20 5 DDBDRO C[N@@H+]1CCC[C@@H](Oc2n[nH]c(=O)c3cccc([N+](=O)[O-])c32)C1 ZINC001229375063 883949015 /nfs/dbraw/zinc/94/90/15/883949015.db2.gz VREIYJBGCJMSBG-SECBINFHSA-N 1 0 304.306 1.717 20 5 DDBDRO COCCC(=O)NCCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC001231010924 885133069 /nfs/dbraw/zinc/13/30/69/885133069.db2.gz UOJZSLBGEZMTKT-UHFFFAOYSA-N 1 0 309.366 1.569 20 5 DDBDRO COC(=O)c1nc(C(C)C)[nH]c(=O)c1O[C@H](C)C[N+](C)(C)C ZINC001234562294 888100718 /nfs/dbraw/zinc/10/07/18/888100718.db2.gz XNRNGNCTOSNPPL-SNVBAGLBSA-O 1 0 312.390 1.566 20 5 DDBDRO CCc1cc(OC)c(OC(=O)C[C@@H](O)C[N+](C)(C)C)cc1F ZINC001234646592 888166676 /nfs/dbraw/zinc/16/66/76/888166676.db2.gz GKFZDHMLMAXXNR-GFCCVEGCSA-N 1 0 314.377 1.759 20 5 DDBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(O[C@H]2CC[N@@H+](C(C)C)C2)n1 ZINC001234910144 888247136 /nfs/dbraw/zinc/24/71/36/888247136.db2.gz MOLWHZHOCWYXPE-NSHDSACASA-N 1 0 323.353 1.513 20 5 DDBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(OC2CC[NH+](C)CC2)n1 ZINC001234919939 888248098 /nfs/dbraw/zinc/24/80/98/888248098.db2.gz GFRZHNHRUWUSME-UHFFFAOYSA-N 1 0 309.326 1.125 20 5 DDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC001254553569 896499284 /nfs/dbraw/zinc/49/92/84/896499284.db2.gz XNNUYBXZUJOEPM-ZFWWWQNUSA-N 1 0 305.378 1.542 20 5 DDBDRO O=C1CCCN1CCC[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254571430 896508542 /nfs/dbraw/zinc/50/85/42/896508542.db2.gz VCHSBDGKWWVYBG-CQSZACIVSA-N 1 0 303.362 1.664 20 5 DDBDRO CC(=O)N1CCC[C@@H](C[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254573986 896508736 /nfs/dbraw/zinc/50/87/36/896508736.db2.gz FDPLAHOICOVEIN-BBRMVZONSA-N 1 0 317.389 1.910 20 5 DDBDRO COC(=O)[C@H]1CC[C@H]([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254588853 896517705 /nfs/dbraw/zinc/51/77/05/896517705.db2.gz JAZOOGSZLODJCL-FPMFFAJLSA-N 1 0 304.346 1.993 20 5 DDBDRO CC(=O)N1CCN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C[C@@H]1C ZINC001254606854 896527178 /nfs/dbraw/zinc/52/71/78/896527178.db2.gz IQWMVIYCBAQFNT-ZBEGNZNMSA-N 1 0 303.362 1.615 20 5 DDBDRO COc1cc(N2CCC([NH2+]CC3COC3)CC2)ccc1[N+](=O)[O-] ZINC001256083268 897278842 /nfs/dbraw/zinc/27/88/42/897278842.db2.gz OBCNIUBCHCSZNT-UHFFFAOYSA-N 1 0 321.377 1.808 20 5 DDBDRO O=C1C[C@H](C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CN1C1CC1 ZINC001262011549 899895758 /nfs/dbraw/zinc/89/57/58/899895758.db2.gz PHZUQNBSISEUOT-XSRFYTQQSA-N 1 0 319.365 1.095 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)c1C ZINC001262036123 899906464 /nfs/dbraw/zinc/90/64/64/899906464.db2.gz GORRGIICKVGWFB-BLLLJJGKSA-N 1 0 303.362 1.893 20 5 DDBDRO C[C@@H](CNC(=O)N[C@H]1CCC[NH2+]C1)c1ccccc1[N+](=O)[O-] ZINC001262585051 900262073 /nfs/dbraw/zinc/26/20/73/900262073.db2.gz RQWRKDQWVROFEQ-RYUDHWBXSA-N 1 0 306.366 1.750 20 5 DDBDRO Cc1ccc(CNC(=O)N[C@@H]2C[NH2+]CC2(C)C)cc1[N+](=O)[O-] ZINC001262598548 900268469 /nfs/dbraw/zinc/26/84/69/900268469.db2.gz WHXOLXRCZRHKIG-CYBMUJFWSA-N 1 0 306.366 1.700 20 5 DDBDRO COCC[NH+](CCOC)C1CN(c2cc(C)c([N+](=O)[O-])cn2)C1 ZINC001262700959 900317016 /nfs/dbraw/zinc/31/70/16/900317016.db2.gz XRLQGIPAGBBYNV-UHFFFAOYSA-N 1 0 324.381 1.082 20 5 DDBDRO C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC001263188727 900526613 /nfs/dbraw/zinc/52/66/13/900526613.db2.gz YUYAPKNIDDNQMZ-CHWSQXEVSA-N 1 0 320.393 1.759 20 5 DDBDRO CC[N@@H+]1CCN(c2nnc(C[N+](=O)[O-])n2CC(C)C)C[C@H]1C ZINC001263414579 900604946 /nfs/dbraw/zinc/60/49/46/900604946.db2.gz FKEBXLRZUIAVFS-GFCCVEGCSA-N 1 0 310.402 1.241 20 5 DDBDRO CC[N@H+](C)CCC(=O)NCCN(C)c1ncc(C)cc1[N+](=O)[O-] ZINC001263681078 900669436 /nfs/dbraw/zinc/66/94/36/900669436.db2.gz XZDCVJKDEGBYDO-UHFFFAOYSA-N 1 0 323.397 1.192 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@H](CNC(=O)CC2CC2)C1 ZINC001316626435 907259600 /nfs/dbraw/zinc/25/96/00/907259600.db2.gz AHYMBQYPZLSYDI-HAQNSBGRSA-N 1 0 321.381 1.113 20 5 DDBDRO C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000278308491 214080961 /nfs/dbraw/zinc/08/09/61/214080961.db2.gz STOHKIMXQWEDPU-WCBMZHEXSA-N 1 0 308.294 1.373 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)n1 ZINC000248668918 282098050 /nfs/dbraw/zinc/09/80/50/282098050.db2.gz PDMPXYUYXRYKGZ-MNOVXSKESA-N 1 0 309.370 1.223 20 5 DDBDRO C[C@@H](O)[C@@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000305816309 231064929 /nfs/dbraw/zinc/06/49/29/231064929.db2.gz ADQQDBQSJZQXCX-VXGBXAGGSA-N 1 0 307.350 1.626 20 5 DDBDRO C[C@H]1C[N@H+](CCCNC(=O)c2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000278770459 214388166 /nfs/dbraw/zinc/38/81/66/214388166.db2.gz XVMYURDGSUSPBS-ZDUSSCGKSA-N 1 0 321.377 1.826 20 5 DDBDRO C[C@@H]1CN(C(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])C[C@@H](C)[NH2+]1 ZINC000153598502 290649241 /nfs/dbraw/zinc/64/92/41/290649241.db2.gz ADOJPIGHSMAIRZ-JYBZGJHDSA-N 1 0 307.325 1.956 20 5 DDBDRO C[C@H](NC(=O)[C@H]1C[N@@H+]2CCN1CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000452184213 231327979 /nfs/dbraw/zinc/32/79/79/231327979.db2.gz RFGYLYCKLAEGKR-SWLSCSKDSA-N 1 0 318.377 1.162 20 5 DDBDRO Cc1nn(C)c(C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)c1[N+](=O)[O-] ZINC000430713554 282255501 /nfs/dbraw/zinc/25/55/01/282255501.db2.gz AGMOKZVCZYVRBN-JTQLQIEISA-N 1 0 309.370 1.145 20 5 DDBDRO CN(C)c1ncc(C[NH2+]CCc2cccc([N+](=O)[O-])c2)n1C ZINC000414365635 529809436 /nfs/dbraw/zinc/80/94/36/529809436.db2.gz MMPQWYKVRSUXTL-UHFFFAOYSA-N 1 0 303.366 1.727 20 5 DDBDRO CN(CCn1cc([N+](=O)[O-])ccc1=O)C(C)(C)C[NH+]1CCCC1 ZINC000419377238 529939608 /nfs/dbraw/zinc/93/96/08/529939608.db2.gz UDDXQXOTQJDPFA-UHFFFAOYSA-N 1 0 322.409 1.563 20 5 DDBDRO C[NH2+]CCN(C)Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000435370936 529973541 /nfs/dbraw/zinc/97/35/41/529973541.db2.gz KKAJXUFAUXXCJK-UHFFFAOYSA-N 1 0 319.308 1.856 20 5 DDBDRO C[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C[C@H]1CCCC[C@H]1O ZINC000305806502 529984632 /nfs/dbraw/zinc/98/46/32/529984632.db2.gz KCGGJXJDSFVEFN-UKRRQHHQSA-N 1 0 321.377 1.677 20 5 DDBDRO CN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CC[NH2+]CC1 ZINC000430620110 530021048 /nfs/dbraw/zinc/02/10/48/530021048.db2.gz HFWNYYAPUJOWRS-UHFFFAOYSA-N 1 0 317.349 1.829 20 5 DDBDRO Cc1cc(S(=O)(=O)NC[C@@H](C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000292740797 282357156 /nfs/dbraw/zinc/35/71/56/282357156.db2.gz TWSRIDKLGAPSMR-SNVBAGLBSA-N 1 0 315.395 1.379 20 5 DDBDRO CC1(C)C[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1O ZINC000279708062 215079436 /nfs/dbraw/zinc/07/94/36/215079436.db2.gz HRPSJSAVIJIJMO-OCCSQVGLSA-N 1 0 310.350 1.037 20 5 DDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000280825446 282581063 /nfs/dbraw/zinc/58/10/63/282581063.db2.gz NXNOUALBXMPBPR-CZUORRHYSA-N 1 0 303.362 1.943 20 5 DDBDRO CC[C@]1([NH2+]CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CCOC1 ZINC000616865655 362853340 /nfs/dbraw/zinc/85/33/40/362853340.db2.gz ZYCRCCXTQFHSNZ-HNNXBMFYSA-N 1 0 323.349 1.701 20 5 DDBDRO COCC[N@@H+]1CCCN(C(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000048428790 352539979 /nfs/dbraw/zinc/53/99/79/352539979.db2.gz OHZROAPWCNSCHH-UHFFFAOYSA-N 1 0 321.377 1.698 20 5 DDBDRO C[C@@H]1CN(c2ccncc2[N+](=O)[O-])CC[C@H]1[NH+]1CCN(C)CC1 ZINC000343425657 282661183 /nfs/dbraw/zinc/66/11/83/282661183.db2.gz LOMMRCJCGHTIIF-ZIAGYGMSSA-N 1 0 319.409 1.452 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@@H](CCCO)c2ccccc2)n1 ZINC000179727747 186210697 /nfs/dbraw/zinc/21/06/97/186210697.db2.gz WDCQIDNYMYLGMC-AWEZNQCLSA-N 1 0 304.350 1.895 20 5 DDBDRO COc1cc(C(=O)N2CC[C@]3(C2)CCC[NH2+]C3)ccc1[N+](=O)[O-] ZINC000564840627 304018180 /nfs/dbraw/zinc/01/81/80/304018180.db2.gz VLZOZNHONLWNBA-MRXNPFEDSA-N 1 0 319.361 1.819 20 5 DDBDRO C[C@@H](CNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])[NH+](C)C ZINC000026856603 352211897 /nfs/dbraw/zinc/21/18/97/352211897.db2.gz BYCIUNDCWTZVPV-QMMMGPOBSA-N 1 0 321.786 1.477 20 5 DDBDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000028013114 352225962 /nfs/dbraw/zinc/22/59/62/352225962.db2.gz VKVRQILRABDBTC-CYBMUJFWSA-N 1 0 321.377 1.681 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H](O)C1 ZINC000041886271 352317413 /nfs/dbraw/zinc/31/74/13/352317413.db2.gz KXTQGDIXDZKNRI-CYBMUJFWSA-N 1 0 307.350 1.689 20 5 DDBDRO O=[N+]([O-])c1c(N2CC[NH+](CC3CC3)CC2)nc2sccn21 ZINC000052472566 352612453 /nfs/dbraw/zinc/61/24/53/352612453.db2.gz CYCKCBIXINYTHG-UHFFFAOYSA-N 1 0 307.379 1.836 20 5 DDBDRO O=C(NCCCC[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000053449611 352656061 /nfs/dbraw/zinc/65/60/61/352656061.db2.gz HRLYUAWYTPTBPI-UHFFFAOYSA-N 1 0 307.350 1.437 20 5 DDBDRO CC1CC[NH+](CCNC(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000054779479 352703795 /nfs/dbraw/zinc/70/37/95/352703795.db2.gz ZSIHMVGPYOSAHM-UHFFFAOYSA-N 1 0 306.366 1.639 20 5 DDBDRO CC[NH+]1CCC(CNC(=O)c2cc([N+](=O)[O-])cnc2C)CC1 ZINC000057000533 352794165 /nfs/dbraw/zinc/79/41/65/352794165.db2.gz XBYDSLDFAYQYFT-UHFFFAOYSA-N 1 0 306.366 1.760 20 5 DDBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000491561348 234204634 /nfs/dbraw/zinc/20/46/34/234204634.db2.gz JRXKHSIFJNDSNL-UJYKQDJBSA-N 1 0 301.346 1.961 20 5 DDBDRO C[C@@H]1C[N@H+](C)CCN1C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000491577355 234207293 /nfs/dbraw/zinc/20/72/93/234207293.db2.gz VRKSHLLSOWRYBQ-DUMNWFOQSA-N 1 0 307.325 1.910 20 5 DDBDRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccccc1[N+](=O)[O-] ZINC000064334047 352933715 /nfs/dbraw/zinc/93/37/15/352933715.db2.gz YZGJWVLRKDKTSD-RYUDHWBXSA-N 1 0 305.334 1.188 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000068181682 353093949 /nfs/dbraw/zinc/09/39/49/353093949.db2.gz UYDMFVWOUOALDO-UHFFFAOYSA-N 1 0 321.381 1.187 20 5 DDBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)CCn2cc([N+](=O)[O-])nc2C)C1 ZINC000174531263 198348190 /nfs/dbraw/zinc/34/81/90/198348190.db2.gz DXTAZCXBYJHLBQ-ZDUSSCGKSA-N 1 0 323.397 1.290 20 5 DDBDRO CNc1ccc(C(=O)NC[C@@H](C)[N@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000075578238 353368588 /nfs/dbraw/zinc/36/85/88/353368588.db2.gz CSAMOGBXVWTENF-SNVBAGLBSA-N 1 0 306.366 1.849 20 5 DDBDRO C[N@H+](CCc1cccs1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075966663 353388615 /nfs/dbraw/zinc/38/86/15/353388615.db2.gz LMBVKDVVQYGIIC-GFCCVEGCSA-N 1 0 310.379 1.388 20 5 DDBDRO CCc1nn(C)c(NC2CC[NH+]([C@@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000091744564 353835908 /nfs/dbraw/zinc/83/59/08/353835908.db2.gz UGUICOHRSNAADD-GFCCVEGCSA-N 1 0 323.397 1.556 20 5 DDBDRO [NH3+][C@@H]1CCC[C@@H](NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000124992655 354043127 /nfs/dbraw/zinc/04/31/27/354043127.db2.gz BIYWLPTWVWBAQX-VXGBXAGGSA-N 1 0 313.379 1.284 20 5 DDBDRO C[C@H]1CCC[C@H](C)[NH+]1CCNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000357244417 291030211 /nfs/dbraw/zinc/03/02/11/291030211.db2.gz ZZUAFFIVDWGYHY-QWRGUYRKSA-N 1 0 321.381 1.764 20 5 DDBDRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000275610337 354412500 /nfs/dbraw/zinc/41/25/00/354412500.db2.gz IIOOFQMOLNNSSQ-VHSXEESVSA-N 1 0 321.333 1.366 20 5 DDBDRO C[C@@H](CC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000320500147 354527503 /nfs/dbraw/zinc/52/75/03/354527503.db2.gz XVKQCOXWCMAKHV-XJKSGUPXSA-N 1 0 318.377 1.936 20 5 DDBDRO CC[C@@H]1CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000316619993 354504284 /nfs/dbraw/zinc/50/42/84/354504284.db2.gz AUZMHBSPORRILS-MFKMUULPSA-N 1 0 306.366 1.253 20 5 DDBDRO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CCn1ccccc1=O ZINC000586773416 354863684 /nfs/dbraw/zinc/86/36/84/354863684.db2.gz UCFMUNBFYOUJRD-UHFFFAOYSA-N 1 0 301.346 1.931 20 5 DDBDRO COc1ccc(OCCN2CC[C@H]3C[N@H+](C)C[C@H]32)c([N+](=O)[O-])c1 ZINC000590010310 355038944 /nfs/dbraw/zinc/03/89/44/355038944.db2.gz AUZNHXZRCRARHM-SWLSCSKDSA-N 1 0 321.377 1.618 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21 ZINC000590443745 355097426 /nfs/dbraw/zinc/09/74/26/355097426.db2.gz GYHRDEWGBRZYHY-ZWNOBZJWSA-N 1 0 305.334 1.380 20 5 DDBDRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000590445617 355098803 /nfs/dbraw/zinc/09/88/03/355098803.db2.gz QZZRWDQHDMEHRP-CABZTGNLSA-N 1 0 319.317 1.100 20 5 DDBDRO [NH3+][C@H]1CCCO[C@H]1C1CCN(c2ncc([N+](=O)[O-])s2)CC1 ZINC000591446045 355313157 /nfs/dbraw/zinc/31/31/57/355313157.db2.gz OCSQIFNDTOTRCG-JQWIXIFHSA-N 1 0 312.395 1.774 20 5 DDBDRO O=C(CN1CC[C@H]2CC[NH2+][C@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000591447847 355313589 /nfs/dbraw/zinc/31/35/89/355313589.db2.gz ANDMASCOSHGAEZ-YPMHNXCESA-N 1 0 304.350 1.217 20 5 DDBDRO CC(C)(C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccncc1 ZINC000591757461 355378809 /nfs/dbraw/zinc/37/88/09/355378809.db2.gz HCAWXYVZIPSZNX-CQSZACIVSA-N 1 0 319.365 1.115 20 5 DDBDRO C[NH2+][C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000591680976 355361175 /nfs/dbraw/zinc/36/11/75/355361175.db2.gz VBOGXPROCWJGSL-JTQLQIEISA-N 1 0 300.318 1.577 20 5 DDBDRO O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000591685918 355361531 /nfs/dbraw/zinc/36/15/31/355361531.db2.gz YTLQJELNKINFSD-JOYOIKCWSA-N 1 0 319.317 1.148 20 5 DDBDRO COc1ccc(CC(=O)N[C@@H]2CC23CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000591686235 355362364 /nfs/dbraw/zinc/36/23/64/355362364.db2.gz WLLFOKXKBOJHOG-CQSZACIVSA-N 1 0 319.361 1.404 20 5 DDBDRO CCCc1n[nH]c(C(=O)N2CC[C@@H]([NH3+])[C@@H](CC)C2)c1[N+](=O)[O-] ZINC000592332240 355561277 /nfs/dbraw/zinc/56/12/77/355561277.db2.gz IBHYNZFRMRFOPC-VHSXEESVSA-N 1 0 309.370 1.470 20 5 DDBDRO COc1cc(C(=O)N2CCC(C)([NH3+])CC2)c([N+](=O)[O-])cc1OC ZINC000592331133 355560655 /nfs/dbraw/zinc/56/06/55/355560655.db2.gz JAPDDTIKMNJMBU-UHFFFAOYSA-N 1 0 323.349 1.565 20 5 DDBDRO CC1([NH3+])CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000592485057 355596395 /nfs/dbraw/zinc/59/63/95/355596395.db2.gz PLZGRIAECISPGT-UHFFFAOYSA-N 1 0 317.349 1.958 20 5 DDBDRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1Cc1cccc([N+](=O)[O-])c1 ZINC000592523769 355611841 /nfs/dbraw/zinc/61/18/41/355611841.db2.gz BJHYJOLYUQYSMX-LBPRGKRZSA-N 1 0 306.366 1.147 20 5 DDBDRO COc1ccc(C[NH2+]CC(C)(C)[C@@]2(O)CCOC2)cc1[N+](=O)[O-] ZINC000592374774 355569445 /nfs/dbraw/zinc/56/94/45/355569445.db2.gz IPPUBAUNJSAOPF-MRXNPFEDSA-N 1 0 324.377 1.871 20 5 DDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CCC[NH2+]CC2)s1 ZINC000592386822 355572875 /nfs/dbraw/zinc/57/28/75/355572875.db2.gz ADYGKIRUNGDTPM-QMMMGPOBSA-N 1 0 305.381 1.077 20 5 DDBDRO C[C@H]1C[C@H](C[NH3+])CN1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000592428716 355580382 /nfs/dbraw/zinc/58/03/82/355580382.db2.gz PVQMLCOXXJCMIP-WDEREUQCSA-N 1 0 307.350 1.535 20 5 DDBDRO CCn1cc(C[N@H+](CCn2ccc([N+](=O)[O-])n2)C(C)C)cn1 ZINC000593083069 355790275 /nfs/dbraw/zinc/79/02/75/355790275.db2.gz YNSHOEIAANQNHW-UHFFFAOYSA-N 1 0 306.370 1.918 20 5 DDBDRO O=C(CC[N@@H+]1C[C@@H]2C[C@H]1C[S@@]2=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000593100115 355796545 /nfs/dbraw/zinc/79/65/45/355796545.db2.gz CYJCOOKSANJNCT-MZFXBISCSA-N 1 0 323.374 1.129 20 5 DDBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](CO)CCF ZINC000593686300 355967833 /nfs/dbraw/zinc/96/78/33/355967833.db2.gz LJFVREHNSGZXRK-ZYHUDNBSSA-N 1 0 313.329 1.622 20 5 DDBDRO O=C(NCCNc1ccccc1[N+](=O)[O-])[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000593902840 356049740 /nfs/dbraw/zinc/04/97/40/356049740.db2.gz YLLBRTYBXFURBL-JSGCOSHPSA-N 1 0 318.377 1.654 20 5 DDBDRO COC(=O)c1cc(C(=O)NCCC2(C[NH3+])CC2)cc([N+](=O)[O-])c1 ZINC000593913740 356057517 /nfs/dbraw/zinc/05/75/17/356057517.db2.gz DHUCOHFNKXILFZ-UHFFFAOYSA-N 1 0 321.333 1.240 20 5 DDBDRO C[C@@H]1CCCN(C(=O)CNc2ccccc2[N+](=O)[O-])[C@@H]1CC[NH3+] ZINC000593916237 356058067 /nfs/dbraw/zinc/05/80/67/356058067.db2.gz NRZIVYMZUXXXPD-TZMCWYRMSA-N 1 0 320.393 1.983 20 5 DDBDRO COCC1(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000594576034 356253278 /nfs/dbraw/zinc/25/32/78/356253278.db2.gz ZAWUEURGDBBROJ-UHFFFAOYSA-N 1 0 307.350 1.940 20 5 DDBDRO Cc1c(CNC(=O)N[C@@H](C[NH3+])C(F)(F)F)cccc1[N+](=O)[O-] ZINC000594525888 356242990 /nfs/dbraw/zinc/24/29/90/356242990.db2.gz XVYNBPSRROFIHD-JTQLQIEISA-N 1 0 320.271 1.592 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CCc2ccoc2)c1 ZINC000594733271 356300986 /nfs/dbraw/zinc/30/09/86/356300986.db2.gz TVGSZLFUAYDNHC-CQSZACIVSA-N 1 0 306.318 1.760 20 5 DDBDRO [NH3+]C[C@H]1Cc2ccccc2N(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000601334836 358503614 /nfs/dbraw/zinc/50/36/14/358503614.db2.gz CWUQTGCSOLRPLC-GFCCVEGCSA-N 1 0 301.350 1.429 20 5 DDBDRO CCNC(=O)N1CC[C@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000565215528 304054147 /nfs/dbraw/zinc/05/41/47/304054147.db2.gz BDVNASIAICEPDM-SMDDNHRTSA-N 1 0 318.377 1.976 20 5 DDBDRO CCC[N@@H+]1CC[C@H](NC(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000595470276 356506130 /nfs/dbraw/zinc/50/61/30/356506130.db2.gz SWJNAMGGXBDCDT-AWEZNQCLSA-N 1 0 320.393 1.921 20 5 DDBDRO CNC(=O)[C@@H](C)C[N@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000081527545 192283859 /nfs/dbraw/zinc/28/38/59/192283859.db2.gz TXNAAEADHMYQQJ-QWRGUYRKSA-N 1 0 322.365 1.236 20 5 DDBDRO CNC(=O)[C@H](C)C[N@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000081556903 192291217 /nfs/dbraw/zinc/29/12/17/192291217.db2.gz CABBOCAVYDNVGV-SNVBAGLBSA-N 1 0 323.349 1.275 20 5 DDBDRO C[C@H]([NH2+][C@@H]1C[C@@H](O)C12CCC2)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000595779213 356649036 /nfs/dbraw/zinc/64/90/36/356649036.db2.gz APXJTVPARBEPQN-ZLKJLUDKSA-N 1 0 319.361 1.815 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H]1C[C@@H](O)C12CCC2 ZINC000595783695 356650998 /nfs/dbraw/zinc/65/09/98/356650998.db2.gz TUGAFEPBEBQCTE-QWHCGFSZSA-N 1 0 319.361 1.735 20 5 DDBDRO Cc1c(NC(=O)[C@@H](C)N(C)CC(C)(C)[NH3+])cccc1[N+](=O)[O-] ZINC000595903204 356698989 /nfs/dbraw/zinc/69/89/89/356698989.db2.gz UMXYFLDVVKNZIU-LLVKDONJSA-N 1 0 308.382 1.899 20 5 DDBDRO COc1ccc(OCCN2CC3CC2(C[NH3+])C3)c([N+](=O)[O-])c1 ZINC000595910666 356701962 /nfs/dbraw/zinc/70/19/62/356701962.db2.gz QHVPBITVOQTREP-UHFFFAOYSA-N 1 0 307.350 1.405 20 5 DDBDRO CCOC(=O)c1cc(C(=O)N[C@@]2(C)CC[NH2+]C2)cc([N+](=O)[O-])c1 ZINC000595993210 356739458 /nfs/dbraw/zinc/73/94/58/356739458.db2.gz XGUCIUOVYXFUGK-HNNXBMFYSA-N 1 0 321.333 1.253 20 5 DDBDRO [NH3+]CC12CC(C1)CN2C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000595942105 356715861 /nfs/dbraw/zinc/71/58/61/356715861.db2.gz GTAXQFZBKVJJFX-UHFFFAOYSA-N 1 0 318.377 1.737 20 5 DDBDRO CC(C)C[N@@H+]1CCO[C@H](CNc2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC000596058040 356756107 /nfs/dbraw/zinc/75/61/07/356756107.db2.gz BICKTEPHYLVGCW-LLVKDONJSA-N 1 0 310.354 1.464 20 5 DDBDRO COc1cc(NC[C@@H](C)N2CC[NH+](C)CC2)c([N+](=O)[O-])cc1C ZINC000596103292 356773082 /nfs/dbraw/zinc/77/30/82/356773082.db2.gz CZSRNBNOFLGYDA-CYBMUJFWSA-N 1 0 322.409 1.960 20 5 DDBDRO CCC[N@@H+]1CCC[C@H]1CNc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596231110 356825520 /nfs/dbraw/zinc/82/55/20/356825520.db2.gz IPXOQEINOZTXRS-LBPRGKRZSA-N 1 0 306.366 1.980 20 5 DDBDRO C[C@@H](CN1CC[NH+](C)CC1)Nc1c(Cl)cncc1[N+](=O)[O-] ZINC000596124582 356782521 /nfs/dbraw/zinc/78/25/21/356782521.db2.gz ZFPZINVOHHATHV-JTQLQIEISA-N 1 0 313.789 1.113 20 5 DDBDRO Cc1nc(N2CCO[C@H](CCC[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000596567831 356919544 /nfs/dbraw/zinc/91/95/44/356919544.db2.gz PWVHEGMMAMSORO-CYBMUJFWSA-N 1 0 308.382 1.845 20 5 DDBDRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000596815460 356984054 /nfs/dbraw/zinc/98/40/54/356984054.db2.gz AJTQZUFRAYXIBV-LLVKDONJSA-N 1 0 321.381 1.654 20 5 DDBDRO C[C@@H](C[NH+](C)C)NC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597093744 357059669 /nfs/dbraw/zinc/05/96/69/357059669.db2.gz WYPQWKDUYJQESQ-ZETCQYMHSA-N 1 0 315.761 1.902 20 5 DDBDRO C[NH+]1CC2(C1)CCN(C(=O)c1cc3c(c([N+](=O)[O-])c1)OCO3)C2 ZINC000597572839 357233981 /nfs/dbraw/zinc/23/39/81/357233981.db2.gz UGTSTQIYQIAEQU-UHFFFAOYSA-N 1 0 319.317 1.101 20 5 DDBDRO C[NH+](C)CC1CN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000597705257 357294087 /nfs/dbraw/zinc/29/40/87/357294087.db2.gz CWMKNAFGYQGECY-UHFFFAOYSA-N 1 0 305.378 1.892 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@]3(CC[N@H+](C)C3)C2)n1 ZINC000597710894 357297504 /nfs/dbraw/zinc/29/75/04/357297504.db2.gz PWZLBWNIGXGYAN-OAHLLOKOSA-N 1 0 321.381 1.369 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)c1 ZINC000597623878 357260480 /nfs/dbraw/zinc/26/04/80/357260480.db2.gz CXXGIUJKUFBBPN-CYBMUJFWSA-N 1 0 318.377 1.023 20 5 DDBDRO Cc1nn(C)c(C(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000597855528 357358744 /nfs/dbraw/zinc/35/87/44/357358744.db2.gz SFSOITPRPAABKW-LLVKDONJSA-N 1 0 323.397 1.487 20 5 DDBDRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000597924830 357384413 /nfs/dbraw/zinc/38/44/13/357384413.db2.gz LERFMYCKFFWOJZ-JTQLQIEISA-N 1 0 324.356 1.919 20 5 DDBDRO C[C@H](CCNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)[NH+](C)C ZINC000597991639 357408360 /nfs/dbraw/zinc/40/83/60/357408360.db2.gz GEOOCEGCZZFUFA-SECBINFHSA-N 1 0 309.322 1.394 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000565362014 304065095 /nfs/dbraw/zinc/06/50/95/304065095.db2.gz OCVJZLJDWAQIIX-UHFFFAOYSA-N 1 0 301.306 1.226 20 5 DDBDRO COC(=O)c1ccnc(N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000598600360 357648527 /nfs/dbraw/zinc/64/85/27/357648527.db2.gz AVUSQFCIORDKOK-VHSXEESVSA-N 1 0 320.349 1.814 20 5 DDBDRO CCC[N@@H+]1CC[C@H](Nc2nccc(C(=O)OC)c2[N+](=O)[O-])C1 ZINC000598632778 357662628 /nfs/dbraw/zinc/66/26/28/357662628.db2.gz AVHCHJVHDCCVPJ-JTQLQIEISA-N 1 0 308.338 1.673 20 5 DDBDRO [NH3+][C@@]12CCC[C@H]1CN(C(=O)CCNc1ccccc1[N+](=O)[O-])C2 ZINC000598670702 357679228 /nfs/dbraw/zinc/67/92/28/357679228.db2.gz XHLKMDCSPDPCGW-BLLLJJGKSA-N 1 0 318.377 1.737 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC(C)(C)CCC[NH+](C)C ZINC000598738734 357710450 /nfs/dbraw/zinc/71/04/50/357710450.db2.gz QXSPOQNAEWJOSP-UHFFFAOYSA-N 1 0 311.386 1.336 20 5 DDBDRO [NH3+][C@@]12CCC[C@H]1CN(CCC(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC000598682017 357684822 /nfs/dbraw/zinc/68/48/22/357684822.db2.gz KPQHPYXTMBVGDN-BLLLJJGKSA-N 1 0 318.377 1.737 20 5 DDBDRO [NH3+]CC[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1F)C(F)F ZINC000598914023 357756675 /nfs/dbraw/zinc/75/66/75/357756675.db2.gz VLRRFXFGFWUAAD-VIFPVBQESA-N 1 0 306.244 1.838 20 5 DDBDRO CN1CCO[C@H](CNc2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000599034529 357799214 /nfs/dbraw/zinc/79/92/14/357799214.db2.gz FIKVARIPYSBRGW-GFCCVEGCSA-N 1 0 302.334 1.886 20 5 DDBDRO CN1CCOC[C@@H]1C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000599076781 357808137 /nfs/dbraw/zinc/80/81/37/357808137.db2.gz GBEPAPUMBMAZCN-MELADBBJSA-N 1 0 323.397 1.195 20 5 DDBDRO CCN(CC[NH3+])S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000599098328 357815191 /nfs/dbraw/zinc/81/51/91/357815191.db2.gz JCXJMEBARRRJEE-UHFFFAOYSA-N 1 0 301.368 1.181 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000599105671 357816608 /nfs/dbraw/zinc/81/66/08/357816608.db2.gz PNMYRBOILOOHHG-QWRGUYRKSA-N 1 0 313.379 1.322 20 5 DDBDRO O=[N+]([O-])c1cccc2c(NCC[N@H+]3CC[C@@H](O)C3)ccnc21 ZINC000599175508 357840547 /nfs/dbraw/zinc/84/05/47/357840547.db2.gz DJRZHSQNWOPLFW-LLVKDONJSA-N 1 0 302.334 1.622 20 5 DDBDRO CCOC(=O)C[C@@H](O)C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000599412830 357925413 /nfs/dbraw/zinc/92/54/13/357925413.db2.gz OWWAEGBLIQTIMQ-CYBMUJFWSA-N 1 0 310.350 1.383 20 5 DDBDRO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000599644046 358004003 /nfs/dbraw/zinc/00/40/03/358004003.db2.gz GXVUBBSHEIGVQM-GSJFWJNXSA-N 1 0 320.349 1.119 20 5 DDBDRO C[C@@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1CCOCC1 ZINC000179858645 199089062 /nfs/dbraw/zinc/08/90/62/199089062.db2.gz QSEBYFDSWOLZII-DOMZBBRYSA-N 1 0 324.377 1.739 20 5 DDBDRO CC(C)(NC(=O)NC[C@H]1COCC[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC000599932289 358084579 /nfs/dbraw/zinc/08/45/79/358084579.db2.gz QXSDPCTUOPRBLF-LBPRGKRZSA-N 1 0 322.365 1.118 20 5 DDBDRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)c3cc4cc([N+](=O)[O-])ccc4o3)C[C@H]21 ZINC000599989188 358097118 /nfs/dbraw/zinc/09/71/18/358097118.db2.gz VIVGIBUHYYKJFO-JYAVWHMHSA-N 1 0 315.329 1.973 20 5 DDBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cnn[nH]1 ZINC000600176528 358147282 /nfs/dbraw/zinc/14/72/82/358147282.db2.gz IVXOAGDLPYJVDX-SECBINFHSA-N 1 0 304.310 1.220 20 5 DDBDRO C[NH2+]C[C@H]1CCCN(C(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000237293260 202220860 /nfs/dbraw/zinc/22/08/60/202220860.db2.gz WRRKSRKWSWKCGE-GFCCVEGCSA-N 1 0 307.350 1.432 20 5 DDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000600472265 358233476 /nfs/dbraw/zinc/23/34/76/358233476.db2.gz NMEXCWXHZFUUAV-LBPRGKRZSA-N 1 0 318.377 1.924 20 5 DDBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[NH2+]CC1 ZINC000237355884 202243167 /nfs/dbraw/zinc/24/31/67/202243167.db2.gz WKTYUVXAHYVQAK-LLVKDONJSA-N 1 0 309.391 1.897 20 5 DDBDRO CC(C)[C@@H](CO)[NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000180615619 199184818 /nfs/dbraw/zinc/18/48/18/199184818.db2.gz XVVLIJGTQZEQEV-GFCCVEGCSA-N 1 0 306.322 1.751 20 5 DDBDRO CO[C@H]1C[C@@H](C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000600759123 358309627 /nfs/dbraw/zinc/30/96/27/358309627.db2.gz FGVBHVUZLMCXSM-RWMBFGLXSA-N 1 0 310.350 1.349 20 5 DDBDRO O=[N+]([O-])c1ccc(OCc2cn([C@@H]3CCC[NH2+]C3)nn2)cc1 ZINC000600971708 358363617 /nfs/dbraw/zinc/36/36/17/358363617.db2.gz PGGHDMRSWBCYNR-CYBMUJFWSA-N 1 0 303.322 1.690 20 5 DDBDRO COc1ccc(C[NH2+]C2CN(c3ccncn3)C2)cc1[N+](=O)[O-] ZINC000601158165 358425673 /nfs/dbraw/zinc/42/56/73/358425673.db2.gz NZKWWHCURSKSRV-UHFFFAOYSA-N 1 0 315.333 1.372 20 5 DDBDRO CN(C[C@@H]1CCC[N@@H+]1C)c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601175891 358433787 /nfs/dbraw/zinc/43/37/87/358433787.db2.gz RJFRCSYSFSARAW-QMMMGPOBSA-N 1 0 321.303 1.878 20 5 DDBDRO COC(=O)c1cc(C)nc(N2CC([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000601194297 358441410 /nfs/dbraw/zinc/44/14/10/358441410.db2.gz XVOVCWUOEJCOIH-UHFFFAOYSA-N 1 0 320.349 1.369 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000601565137 358603357 /nfs/dbraw/zinc/60/33/57/358603357.db2.gz MMAMOVOJQORTIU-AOOOYVTPSA-N 1 0 306.322 1.572 20 5 DDBDRO CCC1([NH+](C)C)CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000601791984 358697487 /nfs/dbraw/zinc/69/74/87/358697487.db2.gz SMRKMUYLJDRLOF-UHFFFAOYSA-N 1 0 309.370 1.124 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CC(Cc3cccs3)C2)c1 ZINC000601964841 358755908 /nfs/dbraw/zinc/75/59/08/358755908.db2.gz QCMPBLKZHKFSTQ-CYBMUJFWSA-N 1 0 322.390 1.388 20 5 DDBDRO Cc1c(C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cccc1[N+](=O)[O-] ZINC000601976985 358763094 /nfs/dbraw/zinc/76/30/94/358763094.db2.gz SJCQCUXKZXEIQD-IYBDPMFKSA-N 1 0 303.362 1.975 20 5 DDBDRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000602545852 359036980 /nfs/dbraw/zinc/03/69/80/359036980.db2.gz XTMNUFSOOOXNLK-NWDGAFQWSA-N 1 0 307.350 1.620 20 5 DDBDRO C[C@@H](O)C[C@H](C)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602557736 359043989 /nfs/dbraw/zinc/04/39/89/359043989.db2.gz HBQYUMKXAUHSLB-QWHCGFSZSA-N 1 0 322.409 1.955 20 5 DDBDRO CN(CCOCC[NH3+])C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000602559723 359045189 /nfs/dbraw/zinc/04/51/89/359045189.db2.gz PPQNKBNHOHSXMT-UHFFFAOYSA-N 1 0 301.730 1.296 20 5 DDBDRO C[NH2+]CCOCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000602562955 359046634 /nfs/dbraw/zinc/04/66/34/359046634.db2.gz ISVHXOPPNMIASE-UHFFFAOYSA-N 1 0 301.730 1.214 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCC3(O)CCC3)CC2)cn1 ZINC000602655423 359103707 /nfs/dbraw/zinc/10/37/07/359103707.db2.gz VGPPCCKLKQXSCV-UHFFFAOYSA-N 1 0 320.393 1.853 20 5 DDBDRO CO[C@@H](CN(CC[NH3+])c1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000602659270 359107269 /nfs/dbraw/zinc/10/72/69/359107269.db2.gz LDZZRXFYUDCOPH-INIZCTEOSA-N 1 0 323.393 1.802 20 5 DDBDRO CC1(C)COCCN1CC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602595277 359061170 /nfs/dbraw/zinc/06/11/70/359061170.db2.gz XXILEGYUCXKUMS-UHFFFAOYSA-N 1 0 307.394 1.838 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@H]1C[NH+]1CCCC1 ZINC000602773298 359179225 /nfs/dbraw/zinc/17/92/25/359179225.db2.gz ZWVUSAYHYUEQOB-AWEZNQCLSA-N 1 0 307.398 1.660 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000602841130 359230212 /nfs/dbraw/zinc/23/02/12/359230212.db2.gz MZGUCXZOGXSYFV-YUTCNCBUSA-N 1 0 306.366 1.647 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@H](C(C)(C)C)[C@@H](O)C1 ZINC000602801075 359201408 /nfs/dbraw/zinc/20/14/08/359201408.db2.gz LFFDODLLVLXTAS-STQMWFEESA-N 1 0 310.398 1.829 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CCN1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000602827639 359221191 /nfs/dbraw/zinc/22/11/91/359221191.db2.gz MIWTXWBLDBNXDC-OCCSQVGLSA-N 1 0 307.398 1.658 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CCN1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000602830968 359222226 /nfs/dbraw/zinc/22/22/26/359222226.db2.gz DEIURDBUBAQLQJ-OAHLLOKOSA-N 1 0 307.398 1.517 20 5 DDBDRO Cc1cncc([N+](=O)[O-])c1NC(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000602957756 359321724 /nfs/dbraw/zinc/32/17/24/359321724.db2.gz PQZMTIJVSZGBKZ-LBPRGKRZSA-N 1 0 321.381 1.526 20 5 DDBDRO Cc1cncc([N+](=O)[O-])c1NC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000602958986 359323214 /nfs/dbraw/zinc/32/32/14/359323214.db2.gz RZEMTHGZUMNFPU-LBPRGKRZSA-N 1 0 319.365 1.422 20 5 DDBDRO [NH3+][C@H]1CCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000237847832 202369825 /nfs/dbraw/zinc/36/98/25/202369825.db2.gz JIEGRBZASUJCBU-LBPRGKRZSA-N 1 0 304.350 1.368 20 5 DDBDRO C[C@@]1(O)CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000189072010 200343966 /nfs/dbraw/zinc/34/39/66/200343966.db2.gz ZOATZZNGEBCZKP-CQSZACIVSA-N 1 0 311.313 1.519 20 5 DDBDRO C[NH2+]C(C)(C)CNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000276138416 212694257 /nfs/dbraw/zinc/69/42/57/212694257.db2.gz CAKGZKBRUMFMCI-UHFFFAOYSA-N 1 0 301.368 1.408 20 5 DDBDRO COc1ccc(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)cc1[N+](=O)[O-] ZINC000609383096 360302514 /nfs/dbraw/zinc/30/25/14/360302514.db2.gz IZNVBMPHZPZDAV-ZDUSSCGKSA-N 1 0 319.361 1.818 20 5 DDBDRO C[NH+](C)C[C@@H]1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000609624406 360337357 /nfs/dbraw/zinc/33/73/57/360337357.db2.gz UXPWSRMBEFSSML-JTQLQIEISA-N 1 0 321.333 1.347 20 5 DDBDRO C[C@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000610240597 360395490 /nfs/dbraw/zinc/39/54/90/360395490.db2.gz FJDHODUAUMLEMX-LBPRGKRZSA-N 1 0 305.378 1.984 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+](CCCO)C2CC2)c1 ZINC000609848231 360355991 /nfs/dbraw/zinc/35/59/91/360355991.db2.gz MPJGUSOVMNTSKN-CQSZACIVSA-N 1 0 310.350 1.181 20 5 DDBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000610522156 360459485 /nfs/dbraw/zinc/45/94/85/360459485.db2.gz XVXKFIGALQLMFZ-NSHDSACASA-N 1 0 306.366 1.781 20 5 DDBDRO CC[N@@H+]1CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000611088222 360619978 /nfs/dbraw/zinc/61/99/78/360619978.db2.gz KECHXNDXINQTIZ-ZDUSSCGKSA-N 1 0 321.377 1.916 20 5 DDBDRO Cn1cc(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)nn1 ZINC000611973668 360877387 /nfs/dbraw/zinc/87/73/87/360877387.db2.gz WUTIZXFBBIRCLS-AWEZNQCLSA-N 1 0 301.350 1.834 20 5 DDBDRO COc1cccc(C(=O)N2CC[C@@H](C[NH+](C)C)C2)c1[N+](=O)[O-] ZINC000192572827 200902856 /nfs/dbraw/zinc/90/28/56/200902856.db2.gz UYIIKPDWEYMOEU-NSHDSACASA-N 1 0 307.350 1.627 20 5 DDBDRO Cc1cc(C)c(S(=O)(=O)NC(C)(C)C[NH3+])cc1[N+](=O)[O-] ZINC000193261212 201016199 /nfs/dbraw/zinc/01/61/99/201016199.db2.gz NXDVMNHMMLZCSF-UHFFFAOYSA-N 1 0 301.368 1.227 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000193402765 201046191 /nfs/dbraw/zinc/04/61/91/201046191.db2.gz ZWLDBYANHAIXGZ-BXKDBHETSA-N 1 0 313.379 1.180 20 5 DDBDRO C[C@@H](c1ccccc1)[C@@H](CO)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000613388964 361402118 /nfs/dbraw/zinc/40/21/18/361402118.db2.gz AMSJVSIWDJOEDE-SWLSCSKDSA-N 1 0 304.350 1.546 20 5 DDBDRO C[C@](O)(CO)C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000619464259 364023844 /nfs/dbraw/zinc/02/38/44/364023844.db2.gz HVSFAYFMXMFJBJ-CQSZACIVSA-N 1 0 323.374 1.551 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1CN1CC[N@H+](CCO)C(C)(C)C1 ZINC000619531885 364050316 /nfs/dbraw/zinc/05/03/16/364050316.db2.gz KGWNAAALAPEXCP-UHFFFAOYSA-N 1 0 323.393 1.492 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1CN1CC[NH+](C(C)(C)CO)CC1 ZINC000619531756 364050365 /nfs/dbraw/zinc/05/03/65/364050365.db2.gz GDJPBBKVBOLVDA-UHFFFAOYSA-N 1 0 323.393 1.492 20 5 DDBDRO C[NH+](C)C1(CNC(=O)NCCc2cccc([N+](=O)[O-])c2)CCC1 ZINC000275504063 212377971 /nfs/dbraw/zinc/37/79/71/212377971.db2.gz RKPGYLONRXEAQO-UHFFFAOYSA-N 1 0 320.393 1.921 20 5 DDBDRO C[C@@H](O)C[NH+]1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000275449138 212339178 /nfs/dbraw/zinc/33/91/78/212339178.db2.gz KXUBNYGQIJGIBK-LLVKDONJSA-N 1 0 313.785 1.747 20 5 DDBDRO C[C@@H](NC(=O)C[C@H]1CSCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000091135441 193001916 /nfs/dbraw/zinc/00/19/16/193001916.db2.gz KDNRZEQWCOKVOO-PWSUYJOCSA-N 1 0 309.391 1.867 20 5 DDBDRO COCCN(CC[NH+](C)C)C(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000566273016 304136415 /nfs/dbraw/zinc/13/64/15/304136415.db2.gz RSXPDVSPMWFBRF-UHFFFAOYSA-N 1 0 309.366 1.553 20 5 DDBDRO C[C@@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1cn[nH]c1 ZINC000275146979 212150576 /nfs/dbraw/zinc/15/05/76/212150576.db2.gz FWMSQWSHANNJJM-MFKMUULPSA-N 1 0 306.322 1.408 20 5 DDBDRO COc1cc(C(=O)NC[C@]2(C)CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000262367053 203275444 /nfs/dbraw/zinc/27/54/44/203275444.db2.gz XDXLLYVCTQFRGF-OAHLLOKOSA-N 1 0 307.350 1.723 20 5 DDBDRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000262582979 203339480 /nfs/dbraw/zinc/33/94/80/203339480.db2.gz NBGRNBLDNZNFRB-VXGBXAGGSA-N 1 0 307.350 1.559 20 5 DDBDRO O=C(NCC[C@@H]1CC[NH2+]C1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000262607920 203349632 /nfs/dbraw/zinc/34/96/32/203349632.db2.gz ZRCPIRQUDURCDM-VIFPVBQESA-N 1 0 303.322 1.201 20 5 DDBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](CC3=CCCOC3)C2)nc1 ZINC000093534726 193266603 /nfs/dbraw/zinc/26/66/03/193266603.db2.gz YRXHSAWVDPWVEX-ZDUSSCGKSA-N 1 0 304.350 1.823 20 5 DDBDRO CCCc1n[nH]c(C(=O)N[C@@H]2CC[C@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000093986714 193334546 /nfs/dbraw/zinc/33/45/46/193334546.db2.gz RZCPNGKNCTYRQV-ZJUUUORDSA-N 1 0 309.370 1.483 20 5 DDBDRO COC[C@](C)(CC(=O)OC)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000350317701 284182156 /nfs/dbraw/zinc/18/21/56/284182156.db2.gz MWAGAJWQXPUVOF-HNNXBMFYSA-N 1 0 310.350 1.961 20 5 DDBDRO C[C@@H](Cn1cccn1)[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000265040644 204359853 /nfs/dbraw/zinc/35/98/53/204359853.db2.gz IASGDRPCFKCRRP-JTQLQIEISA-N 1 0 303.322 1.069 20 5 DDBDRO COCC[N@H+](C)CCNC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000271739693 209171338 /nfs/dbraw/zinc/17/13/38/209171338.db2.gz WBGYIAIZVOOHLF-GFCCVEGCSA-N 1 0 324.381 1.533 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@@H](C)C[NH+](C)C ZINC000288235624 220035383 /nfs/dbraw/zinc/03/53/83/220035383.db2.gz RWCMCBJDUIKQJL-JTQLQIEISA-N 1 0 322.365 1.216 20 5 DDBDRO C[C@@H](CN1CCOCC1)[N@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000282495214 217040196 /nfs/dbraw/zinc/04/01/96/217040196.db2.gz MXTIWGWHJQHXDP-LBPRGKRZSA-N 1 0 311.357 1.886 20 5 DDBDRO C[C@@H](O)C[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)[C@H](C)C1 ZINC000282496771 217040645 /nfs/dbraw/zinc/04/06/45/217040645.db2.gz NAPSMDDDCFBNAH-VXGBXAGGSA-N 1 0 311.357 1.621 20 5 DDBDRO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CCn1ccc([N+](=O)[O-])n1 ZINC000282508105 217050288 /nfs/dbraw/zinc/05/02/88/217050288.db2.gz RPXMNJLAYFTRHZ-UHFFFAOYSA-N 1 0 319.321 1.874 20 5 DDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000351490741 284340220 /nfs/dbraw/zinc/34/02/20/284340220.db2.gz IYVLQRUCTZDQHG-BAESOJJISA-N 1 0 318.377 1.591 20 5 DDBDRO Cc1n[nH]c(C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)c1[N+](=O)[O-] ZINC000266057621 205063286 /nfs/dbraw/zinc/06/32/86/205063286.db2.gz AFCCMVZUEGIFCK-GFCCVEGCSA-N 1 0 321.381 1.574 20 5 DDBDRO COc1cc(N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000266344534 205281688 /nfs/dbraw/zinc/28/16/88/205281688.db2.gz IROOQQWDJBTCCX-VXGBXAGGSA-N 1 0 309.366 1.495 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000566679394 304175579 /nfs/dbraw/zinc/17/55/79/304175579.db2.gz UEMYMQTXUHJHKA-KCQAQPDRSA-N 1 0 324.377 1.475 20 5 DDBDRO C[NH2+][C@H]1CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000160568338 197422731 /nfs/dbraw/zinc/42/27/31/197422731.db2.gz UWPSPJAKTXLCJI-LBPRGKRZSA-N 1 0 304.350 1.603 20 5 DDBDRO C[NH2+][C@@H](C)CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000283471172 217630705 /nfs/dbraw/zinc/63/07/05/217630705.db2.gz SKTTZPQBUGDZCN-NSHDSACASA-N 1 0 306.366 1.533 20 5 DDBDRO CN(CC[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000567042714 304194048 /nfs/dbraw/zinc/19/40/48/304194048.db2.gz SAZXPPNBPISBQY-AWEZNQCLSA-N 1 0 309.366 1.018 20 5 DDBDRO C[C@@H]([NH2+]CC1(N(C)C)CCOCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283884239 217797133 /nfs/dbraw/zinc/79/71/33/217797133.db2.gz CFNAEXQJGOIBRD-GFCCVEGCSA-N 1 0 322.409 1.938 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC[C@H](C[NH+]3CCOCC3)C2)cn1 ZINC000336910210 249286984 /nfs/dbraw/zinc/28/69/84/249286984.db2.gz IGAXCOPLJSYEHL-CYBMUJFWSA-N 1 0 306.366 1.538 20 5 DDBDRO C[C@@H](CO)[C@@H](C)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000274125282 211377450 /nfs/dbraw/zinc/37/74/50/211377450.db2.gz XNRVQAJXJBXDSL-DTWKUNHWSA-N 1 0 315.757 1.793 20 5 DDBDRO CC[C@@H](C)[N@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000104687149 194026841 /nfs/dbraw/zinc/02/68/41/194026841.db2.gz NNJWAKFPACRTTN-SECBINFHSA-N 1 0 309.322 1.992 20 5 DDBDRO CC[C@H](C)[N@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000104687152 194026850 /nfs/dbraw/zinc/02/68/50/194026850.db2.gz NNJWAKFPACRTTN-VIFPVBQESA-N 1 0 309.322 1.992 20 5 DDBDRO COCCN(CC[NH+](C)C)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000104970024 194060427 /nfs/dbraw/zinc/06/04/27/194060427.db2.gz FJDVGGPKQOLBAY-UHFFFAOYSA-N 1 0 324.381 1.945 20 5 DDBDRO C[NH+](C)[C@@H]1CCCN(C(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000105199254 194083982 /nfs/dbraw/zinc/08/39/82/194083982.db2.gz DRIGKLPHMIXJLG-CQSZACIVSA-N 1 0 306.366 1.830 20 5 DDBDRO C[NH+](C)CC[C@](C)(O)CNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000352107487 284788102 /nfs/dbraw/zinc/78/81/02/284788102.db2.gz QJVRAQWAWAWXRM-AWEZNQCLSA-N 1 0 313.329 1.166 20 5 DDBDRO Cc1ccc(C(=O)NC[C@@](C)(O)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000352119995 284799236 /nfs/dbraw/zinc/79/92/36/284799236.db2.gz HOODCGODBCBAPH-HNNXBMFYSA-N 1 0 309.366 1.336 20 5 DDBDRO O=[N+]([O-])c1cnc(NC2CC[NH+](C[C@@H]3CCOC3)CC2)nc1 ZINC000273605623 210911649 /nfs/dbraw/zinc/91/16/49/210911649.db2.gz KIRDQQICYCNEAN-NSHDSACASA-N 1 0 307.354 1.298 20 5 DDBDRO C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000285380472 218406814 /nfs/dbraw/zinc/40/68/14/218406814.db2.gz WLXVHSFMWGBZFQ-KGLIPLIRSA-N 1 0 305.334 1.140 20 5 DDBDRO COc1cc(OCC(=O)NC[C@@H]2CC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000110654045 194346486 /nfs/dbraw/zinc/34/64/86/194346486.db2.gz HNOAWEWQONQIDY-NSHDSACASA-N 1 0 323.349 1.050 20 5 DDBDRO CCc1nn(C)c(NCCC[N@H+](C)CCN(C)C)c1[N+](=O)[O-] ZINC000341054077 251356903 /nfs/dbraw/zinc/35/69/03/251356903.db2.gz QOQRJJMKPCREOB-UHFFFAOYSA-N 1 0 312.418 1.186 20 5 DDBDRO C[C@@H]1CN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC[C@@H]1[NH3+] ZINC000269186516 207306455 /nfs/dbraw/zinc/30/64/55/207306455.db2.gz FXRSGZMNWZRUEU-SKDRFNHKSA-N 1 0 311.313 1.308 20 5 DDBDRO C[C@@H]1CN(C(=O)CCNc2ccccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000269235757 207361024 /nfs/dbraw/zinc/36/10/24/207361024.db2.gz WSAGSUOXURVCOW-NEPJUHHUSA-N 1 0 306.366 1.593 20 5 DDBDRO C[NH2+][C@H]1CCN(C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000417844047 533034958 /nfs/dbraw/zinc/03/49/58/533034958.db2.gz HJVRUJUVLUMVGD-AAEUAGOBSA-N 1 0 306.366 1.968 20 5 DDBDRO COCCNCC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000423326009 285081456 /nfs/dbraw/zinc/08/14/56/285081456.db2.gz IWSCJUDQULLFTD-OLZOCXBDSA-N 1 0 311.386 1.101 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCS(=O)(=O)C1)CCC2 ZINC000278354974 285145179 /nfs/dbraw/zinc/14/51/79/285145179.db2.gz ZRIGKXQSKBSKEY-XHDPSFHLSA-N 1 0 324.402 1.997 20 5 DDBDRO COc1ccc(C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000158459508 197274313 /nfs/dbraw/zinc/27/43/13/197274313.db2.gz MLGHXGZLJDXAHY-OAHLLOKOSA-N 1 0 305.334 1.429 20 5 DDBDRO O=[N+]([O-])c1cccnc1N1CC[NH+](C[C@H]2CCSC2)CC1 ZINC000296081696 285166403 /nfs/dbraw/zinc/16/64/03/285166403.db2.gz RVWSPGLCOGDAHY-GFCCVEGCSA-N 1 0 308.407 1.865 20 5 DDBDRO COCC1(C)C[NH+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000432750780 533129334 /nfs/dbraw/zinc/12/93/34/533129334.db2.gz NUXZFNUPFCWSOY-LBPRGKRZSA-N 1 0 310.350 1.303 20 5 DDBDRO CC(C)[C@H]([NH3+])CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000157185912 197168271 /nfs/dbraw/zinc/16/82/71/197168271.db2.gz ZCRVBCCBGBECLW-CQSZACIVSA-N 1 0 317.349 1.494 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000415501511 533142654 /nfs/dbraw/zinc/14/26/54/533142654.db2.gz MRGAKJWGACCWOZ-ZJUUUORDSA-N 1 0 308.338 1.865 20 5 DDBDRO CN(C(=O)C[N@H+](C)[C@H]1CCC[C@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000352657374 285201443 /nfs/dbraw/zinc/20/14/43/285201443.db2.gz ACMSNRVTKOAGIH-UONOGXRCSA-N 1 0 307.350 1.403 20 5 DDBDRO O=[N+]([O-])c1ccccc1/C=C\CN1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000352700047 285238209 /nfs/dbraw/zinc/23/82/09/285238209.db2.gz KVOJUDBZFVGWHH-IMMZDGJCSA-N 1 0 316.405 1.588 20 5 DDBDRO O=[N+]([O-])c1ccccc1/C=C/CN1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000352700048 285238248 /nfs/dbraw/zinc/23/82/48/285238248.db2.gz KVOJUDBZFVGWHH-LLCTXKFZSA-N 1 0 316.405 1.588 20 5 DDBDRO C[C@H]([NH2+]C[C@@H](O)C1CCOCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294686983 224167586 /nfs/dbraw/zinc/16/75/86/224167586.db2.gz IJQJHJDDHTTYCH-ZUZCIYMTSA-N 1 0 309.366 1.615 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)NCCC[C@H]2CCC[NH2+]2)c1 ZINC000294709102 533212690 /nfs/dbraw/zinc/21/26/90/533212690.db2.gz ACRGBQRVIAJYDQ-LLVKDONJSA-N 1 0 307.350 1.865 20 5 DDBDRO CC(C)(C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000289579499 221082950 /nfs/dbraw/zinc/08/29/50/221082950.db2.gz DSQPYRBOKPZWER-OLZOCXBDSA-N 1 0 317.389 1.940 20 5 DDBDRO CC(C)[N@H+](C)C[C@@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000289671717 221144388 /nfs/dbraw/zinc/14/43/88/221144388.db2.gz UVIRLTGVXZBWCR-LLVKDONJSA-N 1 0 315.395 1.602 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@H](O)Cn1ccnn1)CCC2 ZINC000414199933 224311454 /nfs/dbraw/zinc/31/14/54/224311454.db2.gz XBZXGUCBVKUGHF-DZGCQCFKSA-N 1 0 317.349 1.214 20 5 DDBDRO COC[C@]1(CNC(=O)c2cccc(OC)c2[N+](=O)[O-])CCC[NH2+]1 ZINC000423641198 533235588 /nfs/dbraw/zinc/23/55/88/533235588.db2.gz WICFHFJRMMPSBE-OAHLLOKOSA-N 1 0 323.349 1.102 20 5 DDBDRO COc1cccc(C(=O)NCC[C@@H]2CCC[NH2+]C2)c1[N+](=O)[O-] ZINC000422809700 533407687 /nfs/dbraw/zinc/40/76/87/533407687.db2.gz MOPFYZABWJIOEL-NSHDSACASA-N 1 0 307.350 1.723 20 5 DDBDRO COc1ccc(CNC(=O)NC[C@@H]([NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000417184259 533613158 /nfs/dbraw/zinc/61/31/58/533613158.db2.gz BUCPFAPVWTYYIZ-LLVKDONJSA-N 1 0 308.338 1.140 20 5 DDBDRO COc1ccc(CNC(=O)N[C@H](C)CCCC[NH3+])cc1[N+](=O)[O-] ZINC000417181453 533630589 /nfs/dbraw/zinc/63/05/89/533630589.db2.gz HWBYNEYIOROHPM-LLVKDONJSA-N 1 0 324.381 1.920 20 5 DDBDRO Cc1n[nH]c(C(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000299449232 533666048 /nfs/dbraw/zinc/66/60/48/533666048.db2.gz PWYPTCSQJRHULP-QWRGUYRKSA-N 1 0 323.397 1.724 20 5 DDBDRO C[C@H]1CN(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC[C@H]1[NH3+] ZINC000568371314 304288474 /nfs/dbraw/zinc/28/84/74/304288474.db2.gz WPGDFPYGMFTCLP-SMDDNHRTSA-N 1 0 322.365 1.352 20 5 DDBDRO O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3cnccn3)C2)nc1 ZINC000568723180 304307475 /nfs/dbraw/zinc/30/74/75/304307475.db2.gz NXMVFZKXWUXZBY-LLVKDONJSA-N 1 0 300.322 1.466 20 5 DDBDRO C[C@@H]1C[C@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000569213798 304341708 /nfs/dbraw/zinc/34/17/08/304341708.db2.gz CXVBRHMUVBUCCF-BZPMIXESSA-N 1 0 310.350 1.492 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000228074009 292294511 /nfs/dbraw/zinc/29/45/11/292294511.db2.gz YBVKTISMRWDWFC-GHMZBOCLSA-N 1 0 313.379 1.261 20 5 DDBDRO C[C@H]1CC[NH2+][C@@H](C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000570035723 304391217 /nfs/dbraw/zinc/39/12/17/304391217.db2.gz OLLAPTWTLWHMSI-SMDDNHRTSA-N 1 0 307.350 1.478 20 5 DDBDRO COc1cccc(C(=O)N[C@@H](CC[NH3+])C(F)F)c1[N+](=O)[O-] ZINC000570041599 304391952 /nfs/dbraw/zinc/39/19/52/304391952.db2.gz ATODGAXZAOUIIY-QMMMGPOBSA-N 1 0 303.265 1.316 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N[C@H]1C[C@@H]1C1CC[NH2+]CC1 ZINC000361113395 299802838 /nfs/dbraw/zinc/80/28/38/299802838.db2.gz YWPVUJRZKSGDJC-CABCVRRESA-N 1 0 319.361 1.478 20 5 DDBDRO [NH3+]CC[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000070149361 406809068 /nfs/dbraw/zinc/80/90/68/406809068.db2.gz GXDUYTWXMUHXIX-LLVKDONJSA-N 1 0 313.379 1.487 20 5 DDBDRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000048269167 407094190 /nfs/dbraw/zinc/09/41/90/407094190.db2.gz RAFBWPXXIWETFP-STQMWFEESA-N 1 0 323.397 1.276 20 5 DDBDRO Cc1csc([C@H](C)[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)n1 ZINC000080310835 407071330 /nfs/dbraw/zinc/07/13/30/407071330.db2.gz NQPAVCUZWRVERF-GXSJLCMTSA-N 1 0 311.367 1.268 20 5 DDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2CCC[NH2+]2)c(Cl)c1 ZINC000053254431 407164950 /nfs/dbraw/zinc/16/49/50/407164950.db2.gz FVZAJHOMDQUILK-QMMMGPOBSA-N 1 0 319.770 1.279 20 5 DDBDRO C[C@H]([NH2+]CC(=O)NC(=O)NC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000180419937 306694827 /nfs/dbraw/zinc/69/48/27/306694827.db2.gz VLUDMTLZSZGURW-VIFPVBQESA-N 1 0 306.322 1.234 20 5 DDBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000102331060 407321524 /nfs/dbraw/zinc/32/15/24/407321524.db2.gz WIBHGJOUXMEMTK-GFCCVEGCSA-N 1 0 323.397 1.517 20 5 DDBDRO Cc1ccc(NC(=O)c2c([N+](=O)[O-])cnn2C)c(C[NH+](C)C)c1 ZINC000122418669 407300663 /nfs/dbraw/zinc/30/06/63/407300663.db2.gz DDRUWANZKSZZPI-UHFFFAOYSA-N 1 0 317.349 1.951 20 5 DDBDRO CN(C[C@@H]1CC[N@H+](C)C1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000104747483 407351790 /nfs/dbraw/zinc/35/17/90/407351790.db2.gz SZGLRKYDHLVHDU-LLVKDONJSA-N 1 0 313.379 1.167 20 5 DDBDRO C[N@@H+]1CCC[C@@H](CNC(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000108341542 407384876 /nfs/dbraw/zinc/38/48/76/407384876.db2.gz GJQQWLLMPAUIDF-LBPRGKRZSA-N 1 0 307.350 1.432 20 5 DDBDRO C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000108406005 407385771 /nfs/dbraw/zinc/38/57/71/407385771.db2.gz VKVPKPDLTCPHOU-SECBINFHSA-N 1 0 319.408 1.276 20 5 DDBDRO CNC(=O)[C@H]1CCC[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000111267858 407404308 /nfs/dbraw/zinc/40/43/08/407404308.db2.gz JSHPOGOMCWTHSP-LBPRGKRZSA-N 1 0 307.350 1.561 20 5 DDBDRO CCC(CC)(C[NH3+])NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000111832467 407417435 /nfs/dbraw/zinc/41/74/35/407417435.db2.gz MDHZENOTPPTQGY-UHFFFAOYSA-N 1 0 301.368 1.391 20 5 DDBDRO COc1cc(NC[C@H]2C[N@H+](C)CCN2C)c([N+](=O)[O-])cc1OC ZINC000271038722 407482195 /nfs/dbraw/zinc/48/21/95/407482195.db2.gz MJLVXMNXHDERHN-NSHDSACASA-N 1 0 324.381 1.270 20 5 DDBDRO C[N@@H+]1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C(C)(C)C1 ZINC000271063463 407493103 /nfs/dbraw/zinc/49/31/03/407493103.db2.gz TUTUCRVLOMYTLN-CQSZACIVSA-N 1 0 323.393 1.361 20 5 DDBDRO CC[NH+]1CCN(CCNC(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000112918419 407446994 /nfs/dbraw/zinc/44/69/94/407446994.db2.gz DJJSTHAGTGCSFU-UHFFFAOYSA-N 1 0 320.393 1.271 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000271001298 407462739 /nfs/dbraw/zinc/46/27/39/407462739.db2.gz LQDABOBDYCBZQC-NSHDSACASA-N 1 0 323.397 1.288 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CN1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000261893960 407659377 /nfs/dbraw/zinc/65/93/77/407659377.db2.gz OBJZKHZJXDNZPQ-HNNXBMFYSA-N 1 0 320.393 1.083 20 5 DDBDRO C[C@H]1[C@@H]([NH3+])CCN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000261752311 407601412 /nfs/dbraw/zinc/60/14/12/407601412.db2.gz NBUIDTLUEJPXQH-CBAPKCEASA-N 1 0 319.770 1.358 20 5 DDBDRO CC[C@H]1CN(c2c([N+](=O)[O-])c(C)nn2C)CC[N@@H+]1CCOC ZINC000114709541 407602229 /nfs/dbraw/zinc/60/22/29/407602229.db2.gz DWLIASOEEWXZNS-LBPRGKRZSA-N 1 0 311.386 1.184 20 5 DDBDRO CCCN(CC[NH+](CC)CC)C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000130246837 407671630 /nfs/dbraw/zinc/67/16/30/407671630.db2.gz BINBVADMBKPTJI-UHFFFAOYSA-N 1 0 323.397 1.766 20 5 DDBDRO C[C@@]1(CN2CCN(c3cccc([N+](=O)[O-])c3)CC2)CC[NH2+]C1 ZINC000261970998 407695221 /nfs/dbraw/zinc/69/52/21/407695221.db2.gz IFPBKSLIKWOQKG-MRXNPFEDSA-N 1 0 304.394 1.716 20 5 DDBDRO Cc1cccc(C(=O)N2C[C@@H]3[C@H](C2)OCCN3C)c1[N+](=O)[O-] ZINC000152874605 407707789 /nfs/dbraw/zinc/70/77/89/407707789.db2.gz PGUJWVDYVWMDTK-OLZOCXBDSA-N 1 0 305.334 1.058 20 5 DDBDRO C[C@@H](C[NH3+])N(C)C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000179184666 407746477 /nfs/dbraw/zinc/74/64/77/407746477.db2.gz WQNYNSHWWRMJHN-JTQLQIEISA-N 1 0 303.322 1.200 20 5 DDBDRO C[C@@H](O)C[C@H]1CCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000153191978 407774014 /nfs/dbraw/zinc/77/40/14/407774014.db2.gz WWPGNGLGERCYGL-ZWNOBZJWSA-N 1 0 307.350 1.429 20 5 DDBDRO C[C@H]([NH2+]CC1(C(N)=O)CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000153202552 407775302 /nfs/dbraw/zinc/77/53/02/407775302.db2.gz FQVUTIMMMLKRAM-NSHDSACASA-N 1 0 307.350 1.528 20 5 DDBDRO C[N@H+](CC(=O)NCCc1cccc([N+](=O)[O-])c1)[C@@H]1CCSC1 ZINC000132713377 407800288 /nfs/dbraw/zinc/80/02/88/407800288.db2.gz OMXMFSFETZVKET-CQSZACIVSA-N 1 0 323.418 1.691 20 5 DDBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[NH+]1CCSCC1 ZINC000117335692 407832312 /nfs/dbraw/zinc/83/23/12/407832312.db2.gz LCIVDVLAAQEGQX-UHFFFAOYSA-N 1 0 323.374 1.942 20 5 DDBDRO COc1cc(OCC(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)ccc1[N+](=O)[O-] ZINC000272266808 407842730 /nfs/dbraw/zinc/84/27/30/407842730.db2.gz NFNATLCEXANPKX-WDEREUQCSA-N 1 0 323.349 1.178 20 5 DDBDRO O=C(c1n[nH]cc1[N+](=O)[O-])N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000153670213 407873159 /nfs/dbraw/zinc/87/31/59/407873159.db2.gz NGBBIDHWLUGIHK-NSHDSACASA-N 1 0 307.354 1.408 20 5 DDBDRO CCCCNC(=O)NC(=O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180429093 407888661 /nfs/dbraw/zinc/88/86/61/407888661.db2.gz LYRTXKUFWOEQME-NSHDSACASA-N 1 0 322.365 1.871 20 5 DDBDRO CO[C@@H](C[NH3+])CC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000262947329 407980010 /nfs/dbraw/zinc/98/00/10/407980010.db2.gz VEMBTPGTTJHISI-CQSZACIVSA-N 1 0 309.366 1.398 20 5 DDBDRO CC[N@H+](C)CCNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000268267073 407980435 /nfs/dbraw/zinc/98/04/35/407980435.db2.gz VYHAHPSRJSOCGV-UHFFFAOYSA-N 1 0 314.773 1.999 20 5 DDBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000268276225 407982018 /nfs/dbraw/zinc/98/20/18/407982018.db2.gz WGHODFVLYIRGOD-NHYWBVRUSA-N 1 0 303.362 1.736 20 5 DDBDRO CS[C@H]1CCCC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000134616602 407917627 /nfs/dbraw/zinc/91/76/27/407917627.db2.gz OZUOWPPISNWEDN-STQMWFEESA-N 1 0 314.411 1.370 20 5 DDBDRO COC(=O)c1cc(NC(=O)[C@@H](C(C)C)[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000118723772 407938575 /nfs/dbraw/zinc/93/85/75/407938575.db2.gz AHWMETOKCWEZHX-CYBMUJFWSA-N 1 0 323.349 1.906 20 5 DDBDRO C[N@@H+]1CCC[C@@H](CNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000181663503 408024689 /nfs/dbraw/zinc/02/46/89/408024689.db2.gz NLAFWVDQLQAKAA-JTQLQIEISA-N 1 0 321.333 1.395 20 5 DDBDRO Cn1cc(C[N@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])cn1 ZINC000182227612 408098662 /nfs/dbraw/zinc/09/86/62/408098662.db2.gz ZDUIWRIHDVMCGY-CYBMUJFWSA-N 1 0 320.349 1.200 20 5 DDBDRO C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1CC(C)(C)O ZINC000189876854 408126439 /nfs/dbraw/zinc/12/64/39/408126439.db2.gz IFWHNSMIVFVGIJ-ZDUSSCGKSA-N 1 0 307.394 1.872 20 5 DDBDRO Cc1nn(CCC(=O)N2CC[NH2+]C(C)(C)C2)c(C)c1[N+](=O)[O-] ZINC000175420188 408128773 /nfs/dbraw/zinc/12/87/73/408128773.db2.gz LXIKPMOVSLBUTF-UHFFFAOYSA-N 1 0 309.370 1.009 20 5 DDBDRO Cc1c(NC(=O)CC[N@H+]2CC[C@H](C)[C@@H]2CO)cccc1[N+](=O)[O-] ZINC000190419971 408238922 /nfs/dbraw/zinc/23/89/22/408238922.db2.gz DCRGXLTXMQCLSY-NHYWBVRUSA-N 1 0 321.377 1.935 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)NC[C@H](C)C[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000269316416 408266630 /nfs/dbraw/zinc/26/66/30/408266630.db2.gz BLFJWWLWAJGPQW-NSHDSACASA-N 1 0 323.397 1.903 20 5 DDBDRO CC(C)C[C@](C)(C[NH3+])NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000155899630 408225511 /nfs/dbraw/zinc/22/55/11/408225511.db2.gz NFSJIWHCYGAWJH-CYBMUJFWSA-N 1 0 315.395 1.637 20 5 DDBDRO COc1ccc([C@@H](CO)[N@H+](C)CCn2ccc([N+](=O)[O-])n2)cc1 ZINC000176243423 408321799 /nfs/dbraw/zinc/32/17/99/408321799.db2.gz DTEQQFHKMMYYSI-CQSZACIVSA-N 1 0 320.349 1.465 20 5 DDBDRO C[C@H]1CCCN(C(=O)COc2ccccc2[N+](=O)[O-])[C@@H]1C[NH3+] ZINC000156733021 408273138 /nfs/dbraw/zinc/27/31/38/408273138.db2.gz FCRKHEIULCEPPG-WCQYABFASA-N 1 0 307.350 1.559 20 5 DDBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CC(=O)NC1CC1 ZINC000122338777 408283052 /nfs/dbraw/zinc/28/30/52/408283052.db2.gz RIGIBWRPLSAEHK-UHFFFAOYSA-N 1 0 320.349 1.134 20 5 DDBDRO CC[C@@]1(C(=O)Nc2cc(C(=O)OC)cc([N+](=O)[O-])c2)CCC[NH2+]1 ZINC000134410484 162078167 /nfs/dbraw/zinc/07/81/67/162078167.db2.gz XWKSDYFFOUEBEH-HNNXBMFYSA-N 1 0 321.333 1.852 20 5 DDBDRO C[C@@H]1CCC[N@@H+]1C1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000134708972 162085175 /nfs/dbraw/zinc/08/51/75/162085175.db2.gz IZMWMRJFHTVUOP-CYBMUJFWSA-N 1 0 307.398 1.740 20 5 DDBDRO Cc1n[nH]c(C(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)c1[N+](=O)[O-] ZINC000264118495 408372627 /nfs/dbraw/zinc/37/26/27/408372627.db2.gz CDPIJAFFOZRXGV-LBPRGKRZSA-N 1 0 323.397 1.867 20 5 DDBDRO O=C(Nc1ccncc1[N+](=O)[O-])N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000183584510 408447748 /nfs/dbraw/zinc/44/77/48/408447748.db2.gz XKHAPPQDYLQQMU-GFCCVEGCSA-N 1 0 319.365 1.939 20 5 DDBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000247225090 408433583 /nfs/dbraw/zinc/43/35/83/408433583.db2.gz VXMYHPBLYAPWAB-ZYHUDNBSSA-N 1 0 313.379 1.279 20 5 DDBDRO O=C(CCCCN1CCOCC1)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000191515676 408437371 /nfs/dbraw/zinc/43/73/71/408437371.db2.gz QPWGRXUOERPVOC-UHFFFAOYSA-N 1 0 323.349 1.741 20 5 DDBDRO C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1cccc([N+](=O)[O-])c1N)C2 ZINC000177006782 408495101 /nfs/dbraw/zinc/49/51/01/408495101.db2.gz ZJLWCNGZJSSHQY-WDEREUQCSA-N 1 0 304.350 1.486 20 5 DDBDRO C[NH2+][C@H]1CCN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000160667445 408510551 /nfs/dbraw/zinc/51/05/51/408510551.db2.gz ZLNXYNOUEKDWEJ-NSHDSACASA-N 1 0 315.333 1.214 20 5 DDBDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000176869658 408462910 /nfs/dbraw/zinc/46/29/10/408462910.db2.gz VRJHWWLDFLDMAC-AWEZNQCLSA-N 1 0 323.393 1.990 20 5 DDBDRO C[C@H]1C[C@@H](NC(=O)COc2cccc([N+](=O)[O-])c2)C[N@@H+]1C1CC1 ZINC000177133907 408530263 /nfs/dbraw/zinc/53/02/63/408530263.db2.gz FNIMYLZJIQDGDJ-NWDGAFQWSA-N 1 0 319.361 1.715 20 5 DDBDRO CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)CC(N)=O ZINC000191717731 408474597 /nfs/dbraw/zinc/47/45/97/408474597.db2.gz GSPZUXBMSUZBRT-UHFFFAOYSA-N 1 0 308.338 1.039 20 5 DDBDRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)Cc3ccc([N+](=O)[O-])cc3Cl)C[C@H]12 ZINC000248562534 408586923 /nfs/dbraw/zinc/58/69/23/408586923.db2.gz BCFCMYZCXMFWNT-VHRBIJSZSA-N 1 0 323.780 1.986 20 5 DDBDRO C[NH+](C)CC[C@@H](NC(=O)Cn1ccc([N+](=O)[O-])n1)C(C)(C)C ZINC000265282288 408602458 /nfs/dbraw/zinc/60/24/58/408602458.db2.gz PDFKHDBGFBTDMI-LLVKDONJSA-N 1 0 311.386 1.274 20 5 DDBDRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000161400894 408596314 /nfs/dbraw/zinc/59/63/14/408596314.db2.gz BPZHPKOFDGUVHB-DOMZBBRYSA-N 1 0 305.378 1.982 20 5 DDBDRO C[C@H]1C[C@@H](NC(=O)c2ccc(N)c([N+](=O)[O-])c2)C[N@@H+]1C1CC1 ZINC000177154598 408536477 /nfs/dbraw/zinc/53/64/77/408536477.db2.gz XZBJJXOBUOCYFP-GXSJLCMTSA-N 1 0 304.350 1.532 20 5 DDBDRO COCC[N@@H+]1CC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000274802680 408538801 /nfs/dbraw/zinc/53/88/01/408538801.db2.gz KVKVASOYUOJXAR-CYBMUJFWSA-N 1 0 322.365 1.745 20 5 DDBDRO C[C@@H](CNC(=O)c1c([N+](=O)[O-])cnn1C)[N@@H+]1CCC[C@H](C)C1 ZINC000162085752 408669414 /nfs/dbraw/zinc/66/94/14/408669414.db2.gz DGUGWEBIWSYPPM-QWRGUYRKSA-N 1 0 309.370 1.179 20 5 DDBDRO C[C@@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC[C@H]1O ZINC000249550063 408740470 /nfs/dbraw/zinc/74/04/70/408740470.db2.gz HPDTXANIZJCYTP-BXUZGUMPSA-N 1 0 307.350 1.626 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+](CCO)C2CCC2)c1 ZINC000275801256 408683101 /nfs/dbraw/zinc/68/31/01/408683101.db2.gz GFYKAQXAXLMCLJ-AWEZNQCLSA-N 1 0 310.350 1.181 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(NCCN2CCC([NH+](C)C)CC2)n1 ZINC000178248266 408793226 /nfs/dbraw/zinc/79/32/26/408793226.db2.gz ZDNBEDTYOBFYSQ-UHFFFAOYSA-N 1 0 307.398 1.736 20 5 DDBDRO CCOC(=O)[C@@]1(C(C)C)CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000194856067 408800955 /nfs/dbraw/zinc/80/09/55/408800955.db2.gz CTYSKZMVCOZWDY-HNNXBMFYSA-N 1 0 324.381 1.703 20 5 DDBDRO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000185215760 408781221 /nfs/dbraw/zinc/78/12/21/408781221.db2.gz UYTKYHJSMOFMBR-SNVBAGLBSA-N 1 0 307.354 1.128 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+]2CCC1CC2 ZINC000188826028 163071674 /nfs/dbraw/zinc/07/16/74/163071674.db2.gz HUYBHXXIIKFVTA-UHFFFAOYSA-N 1 0 318.377 1.581 20 5 DDBDRO C[NH+](C)[C@@H]1CCCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000277303311 408915696 /nfs/dbraw/zinc/91/56/96/408915696.db2.gz UHOVVTSSGYBWLX-CYBMUJFWSA-N 1 0 308.382 1.173 20 5 DDBDRO O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)c1cc([N+](=O)[O-])n[nH]1 ZINC000286072305 408918236 /nfs/dbraw/zinc/91/82/36/408918236.db2.gz VHIPUAMACQNBNY-GFCCVEGCSA-N 1 0 321.381 1.845 20 5 DDBDRO O=[N+]([O-])c1cnc(N2CCC(C[NH+]3CCOCC3)CC2)s1 ZINC000190317490 163135550 /nfs/dbraw/zinc/13/55/50/163135550.db2.gz FFGDOJDLJZYKAJ-UHFFFAOYSA-N 1 0 312.395 1.600 20 5 DDBDRO CN(CCC[NH+]1CCCC1)C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000281796478 408930079 /nfs/dbraw/zinc/93/00/79/408930079.db2.gz SNHRXNVXBFPZEG-UHFFFAOYSA-N 1 0 306.366 1.735 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000192487129 163225755 /nfs/dbraw/zinc/22/57/55/163225755.db2.gz QLYIJVWOAOMSGY-PHIMTYICSA-N 1 0 305.334 1.237 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2CC[N@@H+]3CCCC[C@H]23)n1 ZINC000286253069 408949834 /nfs/dbraw/zinc/94/98/34/408949834.db2.gz IVIYAXOHVIJSHQ-CMPLNLGQSA-N 1 0 320.349 1.815 20 5 DDBDRO CN(CC(=O)N1CCC[C@H](CC[NH3+])C1)c1ccccc1[N+](=O)[O-] ZINC000281982771 408964990 /nfs/dbraw/zinc/96/49/90/408964990.db2.gz OVNPOLHMLGGRJQ-CYBMUJFWSA-N 1 0 320.393 1.618 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000277567932 408966187 /nfs/dbraw/zinc/96/61/87/408966187.db2.gz KWUKJXAVIGEOEJ-GHMZBOCLSA-N 1 0 319.361 1.958 20 5 DDBDRO Cc1nn(CCC(=O)N2CCC[C@H](CC[NH3+])C2)c(C)c1[N+](=O)[O-] ZINC000282041096 408978570 /nfs/dbraw/zinc/97/85/70/408978570.db2.gz UTCRLBHIHQPHRN-CYBMUJFWSA-N 1 0 323.397 1.386 20 5 DDBDRO Cn1cc([C@@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@H]2CO)cn1 ZINC000277795428 409012571 /nfs/dbraw/zinc/01/25/71/409012571.db2.gz OXEMMTOYRLKHDZ-HOCLYGCPSA-N 1 0 316.361 1.536 20 5 DDBDRO Cc1cc(N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)c(F)cc1[N+](=O)[O-] ZINC000292336549 409026585 /nfs/dbraw/zinc/02/65/85/409026585.db2.gz BCPJIDISWIIAHN-LSDHHAIUSA-N 1 0 309.341 1.952 20 5 DDBDRO C[N@H+](CCCOC(=O)NC(N)=O)CCc1cccc([N+](=O)[O-])c1 ZINC000282383962 409045450 /nfs/dbraw/zinc/04/54/50/409045450.db2.gz GEYRYGFGOYMGMS-UHFFFAOYSA-N 1 0 324.337 1.264 20 5 DDBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000293528524 409131860 /nfs/dbraw/zinc/13/18/60/409131860.db2.gz UXMDJTVPSVLGDT-RISCZKNCSA-N 1 0 321.402 1.897 20 5 DDBDRO CC[C@H](O)C[NH+]1CCN(c2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC000278456631 409083895 /nfs/dbraw/zinc/08/38/95/409083895.db2.gz SIEBDGWEJQPJQF-LBPRGKRZSA-N 1 0 320.393 1.456 20 5 DDBDRO C[C@H]([NH2+]CCN1CCSCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293670320 409158383 /nfs/dbraw/zinc/15/83/83/409158383.db2.gz JSRAGUSUXOTQFV-NSHDSACASA-N 1 0 310.423 1.876 20 5 DDBDRO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000283456457 409160067 /nfs/dbraw/zinc/16/00/67/409160067.db2.gz LHYHJXPHZJOFTG-VIFPVBQESA-N 1 0 322.340 1.530 20 5 DDBDRO CC[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1 ZINC000283558319 409176508 /nfs/dbraw/zinc/17/65/08/409176508.db2.gz UOJZKWWZCJGPAX-UHFFFAOYSA-N 1 0 310.329 1.530 20 5 DDBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C)C[NH+](C)C ZINC000293788057 409180773 /nfs/dbraw/zinc/18/07/73/409180773.db2.gz OMZUGGIIKYMIIY-NSHDSACASA-N 1 0 308.382 1.588 20 5 DDBDRO C[NH+](C)CCn1nccc1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000293985193 409219530 /nfs/dbraw/zinc/21/95/30/409219530.db2.gz GTBVLQZDHMWVEI-UHFFFAOYSA-N 1 0 319.321 1.311 20 5 DDBDRO Cc1c(C(=O)Nc2ccnn2CC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000293921116 409206368 /nfs/dbraw/zinc/20/63/68/409206368.db2.gz AZUXRALKSIBXOJ-UHFFFAOYSA-N 1 0 317.349 1.914 20 5 DDBDRO CN1CCO[C@H]2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000284336117 409325560 /nfs/dbraw/zinc/32/55/60/409325560.db2.gz CFYJFQJKSASJBO-CABCVRRESA-N 1 0 319.361 1.069 20 5 DDBDRO CC[C@H]([NH3+])CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000295276304 409408040 /nfs/dbraw/zinc/40/80/40/409408040.db2.gz SMSIFOKWYWHHMV-NSHDSACASA-N 1 0 303.322 1.248 20 5 DDBDRO CNC(=O)[C@@]1(C)CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000280721293 409424983 /nfs/dbraw/zinc/42/49/83/409424983.db2.gz IAYJDADTFAWPQV-ZFWWWQNUSA-N 1 0 307.350 1.086 20 5 DDBDRO C[C@H](CCCC[NH3+])NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000314213364 164013878 /nfs/dbraw/zinc/01/38/78/164013878.db2.gz VGJRWGXBQAEOHA-LLVKDONJSA-N 1 0 315.395 1.532 20 5 DDBDRO CNc1c(C(=O)NCC2([NH+](C)C)CCC2)cccc1[N+](=O)[O-] ZINC000318680119 164032598 /nfs/dbraw/zinc/03/25/98/164032598.db2.gz MOKWLDZGUVVZOW-UHFFFAOYSA-N 1 0 306.366 1.851 20 5 DDBDRO Cc1csc2c1C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CC2 ZINC000374834657 164175018 /nfs/dbraw/zinc/17/50/18/164175018.db2.gz BBGFOCOYFSSXJM-GFCCVEGCSA-N 1 0 322.390 1.580 20 5 DDBDRO CC[NH+](CC)[C@H](C)CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000348864565 409564368 /nfs/dbraw/zinc/56/43/68/409564368.db2.gz QYHBKSXKPJZOKK-LLVKDONJSA-N 1 0 311.386 1.373 20 5 DDBDRO [NH3+]CCN(CCO)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000342428210 409622672 /nfs/dbraw/zinc/62/26/72/409622672.db2.gz WLVHOXLWXJHXNL-UHFFFAOYSA-N 1 0 320.349 1.045 20 5 DDBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000331533976 409611095 /nfs/dbraw/zinc/61/10/95/409611095.db2.gz POWVGFFLXBATOO-RNCFNFMXSA-N 1 0 307.325 1.946 20 5 DDBDRO CC(C)[N@H+](C)C[C@H](C)NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000356825726 409641050 /nfs/dbraw/zinc/64/10/50/409641050.db2.gz VKLAKELKKOXWLV-LBPRGKRZSA-N 1 0 309.366 1.819 20 5 DDBDRO COc1cc(C(=O)NCCNc2cc[nH+]cc2)ccc1[N+](=O)[O-] ZINC000338050988 409678970 /nfs/dbraw/zinc/67/89/70/409678970.db2.gz CFAUYLHTIGQYRW-UHFFFAOYSA-N 1 0 316.317 1.262 20 5 DDBDRO Cn1cncc1C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000331668211 409751099 /nfs/dbraw/zinc/75/10/99/409751099.db2.gz UECADFFZUDNNAJ-STQMWFEESA-N 1 0 304.354 1.798 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CCC[C@@H]([NH3+])C1 ZINC000346085893 409770967 /nfs/dbraw/zinc/77/09/67/409770967.db2.gz HULBAQWKFWWMNN-GHMZBOCLSA-N 1 0 322.365 1.354 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)CN2CC[C@H]([NH+]3CCCC3)C2)c1 ZINC000305173976 409715791 /nfs/dbraw/zinc/71/57/91/409715791.db2.gz KRCPDNATVJIQPD-HOTGVXAUSA-N 1 0 305.378 1.798 20 5 DDBDRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc([N+](=O)[O-])nn1C ZINC000357038011 409810465 /nfs/dbraw/zinc/81/04/65/409810465.db2.gz MXMJGVPQAQTVDH-MNOVXSKESA-N 1 0 307.354 1.027 20 5 DDBDRO CN(C(=O)c1c(N)cccc1[N+](=O)[O-])[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000354479353 409882975 /nfs/dbraw/zinc/88/29/75/409882975.db2.gz NQKIWLYTLJJYEW-LLVKDONJSA-N 1 0 304.350 1.486 20 5 DDBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000319006125 409886122 /nfs/dbraw/zinc/88/61/22/409886122.db2.gz MAPVZDIYKQLKQJ-UYZDIKGJSA-N 1 0 301.346 1.820 20 5 DDBDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000332238811 410005009 /nfs/dbraw/zinc/00/50/09/410005009.db2.gz UEXCPKNCNOOZAN-NWDGAFQWSA-N 1 0 321.377 1.986 20 5 DDBDRO CCNC(=O)[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1)C(C)C ZINC000339324802 410094064 /nfs/dbraw/zinc/09/40/64/410094064.db2.gz CFICGTNCOBVBQG-AWEZNQCLSA-N 1 0 309.366 1.854 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)NC[C@H](C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000298383068 410207633 /nfs/dbraw/zinc/20/76/33/410207633.db2.gz ZCFNMJIDSFQUBO-QMMMGPOBSA-N 1 0 310.310 1.491 20 5 DDBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000332683011 410208222 /nfs/dbraw/zinc/20/82/22/410208222.db2.gz KCXWUEQKTVRBGN-LLVKDONJSA-N 1 0 309.370 1.132 20 5 DDBDRO Cc1c(NC(=O)[C@H](C)N2CC[C@H]([C@H](C)[NH3+])C2)cccc1[N+](=O)[O-] ZINC000351858427 410296702 /nfs/dbraw/zinc/29/67/02/410296702.db2.gz DCEQAXYPQPQYLO-AVGNSLFASA-N 1 0 320.393 1.899 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000351864495 410305721 /nfs/dbraw/zinc/30/57/21/410305721.db2.gz YIICHPTVCPBMDO-VXGBXAGGSA-N 1 0 306.366 1.511 20 5 DDBDRO C[C@@H](CNc1ncc([N+](=O)[O-])cc1C(N)=O)[N@@H+]1CCC[C@@H](C)C1 ZINC000298755314 410382772 /nfs/dbraw/zinc/38/27/72/410382772.db2.gz YACISCNPJBTAGD-MNOVXSKESA-N 1 0 321.381 1.621 20 5 DDBDRO CNC(=O)NC(=O)CC[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000298753740 410383073 /nfs/dbraw/zinc/38/30/73/410383073.db2.gz CLLLKMDTCPSKPZ-SNVBAGLBSA-N 1 0 308.338 1.400 20 5 DDBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])nc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000343420813 410439443 /nfs/dbraw/zinc/43/94/43/410439443.db2.gz BHYBYJWZGVDKQS-UKRRQHHQSA-N 1 0 319.409 1.452 20 5 DDBDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000299121869 410533315 /nfs/dbraw/zinc/53/33/15/410533315.db2.gz VCXYSSMMDPPWCK-GFCCVEGCSA-N 1 0 323.397 1.418 20 5 DDBDRO COc1c(C(=O)NC[C@@H](C)[N@H+](C)C2CC2)cccc1[N+](=O)[O-] ZINC000355639643 410620569 /nfs/dbraw/zinc/62/05/69/410620569.db2.gz ZGEHRGSFXXCANR-SNVBAGLBSA-N 1 0 307.350 1.816 20 5 DDBDRO C[C@@H]1C[C@@H](NC(=O)NCCc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000340098174 410675434 /nfs/dbraw/zinc/67/54/34/410675434.db2.gz VVPHIMVYLITDJU-OCCSQVGLSA-N 1 0 320.393 1.919 20 5 DDBDRO CS[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cnc2C)C[C@@H]1[NH+](C)C ZINC000330500932 410732162 /nfs/dbraw/zinc/73/21/62/410732162.db2.gz RWYCROKTSOGYGG-STQMWFEESA-N 1 0 324.406 1.416 20 5 DDBDRO CN(C(=O)Cc1ccc([N+](=O)[O-])cc1)[C@H]1C[NH+]2CCC1CC2 ZINC000347949425 410812010 /nfs/dbraw/zinc/81/20/10/410812010.db2.gz NFBDUQSPYGCLRN-HNNXBMFYSA-N 1 0 303.362 1.690 20 5 DDBDRO CCOc1ccc(C(=O)NC[C@@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000341238145 410958902 /nfs/dbraw/zinc/95/89/02/410958902.db2.gz UGYTXNBCSIUHSU-LLVKDONJSA-N 1 0 309.366 1.921 20 5 DDBDRO CCCc1n[nH]c(C(=O)N2CC[N@H+](C)[C@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000331126544 410965179 /nfs/dbraw/zinc/96/51/79/410965179.db2.gz HTGIQLWNOLWQDX-LBPRGKRZSA-N 1 0 323.397 1.683 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000331189892 411006220 /nfs/dbraw/zinc/00/62/20/411006220.db2.gz ZTTJHIQPUJUPRU-LLVKDONJSA-N 1 0 323.397 1.854 20 5 DDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)CC1(O)CCC1 ZINC000353484549 411021499 /nfs/dbraw/zinc/02/14/99/411021499.db2.gz QPVRBGQVLLGUAT-LLVKDONJSA-N 1 0 307.350 1.769 20 5 DDBDRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cc([N+](=O)[O-])nn2C)C1 ZINC000356448572 411035971 /nfs/dbraw/zinc/03/59/71/411035971.db2.gz RVVFLJZOBNDURV-NSHDSACASA-N 1 0 323.397 1.569 20 5 DDBDRO [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000580432550 422932385 /nfs/dbraw/zinc/93/23/85/422932385.db2.gz MLVPTRXCLJNLMR-MFKMUULPSA-N 1 0 309.322 1.156 20 5 DDBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@@H](CO)[C@H]1CCOC1 ZINC000580724569 422951235 /nfs/dbraw/zinc/95/12/35/422951235.db2.gz GPUGBHHLLVHXOX-HUBLWGQQSA-N 1 0 306.362 1.817 20 5 DDBDRO CNc1nccc(C(=O)NC[C@@H]2CCCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000600311704 416617953 /nfs/dbraw/zinc/61/79/53/416617953.db2.gz CEDWRHYLTIJWEK-NSHDSACASA-N 1 0 321.381 1.493 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000417172062 225230860 /nfs/dbraw/zinc/23/08/60/225230860.db2.gz FHPYGSFMZZLXFN-ZYHUDNBSSA-N 1 0 322.365 1.543 20 5 DDBDRO C[C@H](CC[NH3+])NC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000418526502 225781460 /nfs/dbraw/zinc/78/14/60/225781460.db2.gz NFISUDLCAZIUNK-GFCCVEGCSA-N 1 0 321.381 1.164 20 5 DDBDRO COc1cc(CN2C[C@H](C)[N@H+](CCO)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000419344560 226125479 /nfs/dbraw/zinc/12/54/79/226125479.db2.gz SAOSHEOHHYWYNH-QWHCGFSZSA-N 1 0 323.393 1.490 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000420327064 226464420 /nfs/dbraw/zinc/46/44/20/226464420.db2.gz CSUSWFGFHOFQAM-BXUZGUMPSA-N 1 0 320.393 1.901 20 5 DDBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cn3)CC[C@@H]21 ZINC000366295037 418452890 /nfs/dbraw/zinc/45/28/90/418452890.db2.gz PTQVWUVAGRYZJA-RISCZKNCSA-N 1 0 304.350 1.546 20 5 DDBDRO Cc1cc(OCC(=O)N2CC[NH+]3CCC2CC3)ccc1[N+](=O)[O-] ZINC000373923877 418473087 /nfs/dbraw/zinc/47/30/87/418473087.db2.gz KKGZWKXQCPZQOX-UHFFFAOYSA-N 1 0 319.361 1.589 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC[C@@H](c3ccco3)C2)c1 ZINC000374139252 418494005 /nfs/dbraw/zinc/49/40/05/418494005.db2.gz ABKDLWAHKNDYTF-YPMHNXCESA-N 1 0 306.322 1.235 20 5 DDBDRO CC1(C)C[N@H+](CCn2cc([N+](=O)[O-])cn2)C[C@]2(CCOC2)O1 ZINC000366597763 418494919 /nfs/dbraw/zinc/49/49/19/418494919.db2.gz VDYMIOUNMVACLX-AWEZNQCLSA-N 1 0 310.354 1.061 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@@H]1CCN(C)C1 ZINC000360872535 418537602 /nfs/dbraw/zinc/53/76/02/418537602.db2.gz ODPISLRYXPUYCK-LLVKDONJSA-N 1 0 313.379 1.194 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](C)C[NH+]2CCCCC2)n1 ZINC000191770632 222109085 /nfs/dbraw/zinc/10/90/85/222109085.db2.gz VQRJENMPPUTQGL-LLVKDONJSA-N 1 0 309.370 1.415 20 5 DDBDRO O=[N+]([O-])c1ccc(OC2CC[NH+]([C@H]3COC[C@H]3O)CC2)cc1 ZINC000361312029 418623005 /nfs/dbraw/zinc/62/30/05/418623005.db2.gz ZWRCKILCHANRTF-LSDHHAIUSA-N 1 0 308.334 1.198 20 5 DDBDRO CCOc1cc(C[N@@H+]2CC[C@@H]3C(=O)NC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000368063184 418682539 /nfs/dbraw/zinc/68/25/39/418682539.db2.gz MLSLBHXJOMLPQM-STQMWFEESA-N 1 0 319.361 1.561 20 5 DDBDRO COc1cc(C[N@@H+]2CC[C@H](CC(N)=O)C2)c([N+](=O)[O-])cc1OC ZINC000368134957 418693867 /nfs/dbraw/zinc/69/38/67/418693867.db2.gz NRKSZIISJLEGLB-SNVBAGLBSA-N 1 0 323.349 1.309 20 5 DDBDRO O=C(CCn1cc([N+](=O)[O-])cn1)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000371232343 418770599 /nfs/dbraw/zinc/77/05/99/418770599.db2.gz RUZGAKOTKBIQSL-JSGCOSHPSA-N 1 0 321.381 1.172 20 5 DDBDRO O=C(C[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000371232284 418770704 /nfs/dbraw/zinc/77/07/04/418770704.db2.gz ROBIQQXDXUMAES-QWHCGFSZSA-N 1 0 319.361 1.892 20 5 DDBDRO Cn1ccc(N2CC[C@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000371714235 418810595 /nfs/dbraw/zinc/81/05/95/418810595.db2.gz IYOMAZNWIUIOHF-ZDUSSCGKSA-N 1 0 301.350 1.697 20 5 DDBDRO CN(C(=O)CCNc1ccccc1[N+](=O)[O-])[C@@H](C[NH3+])C1CC1 ZINC000423950295 227821491 /nfs/dbraw/zinc/82/14/91/227821491.db2.gz NTDCPDBGRDMRDV-AWEZNQCLSA-N 1 0 306.366 1.593 20 5 DDBDRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000417938195 419400603 /nfs/dbraw/zinc/40/06/03/419400603.db2.gz JBSPBVFPUQNQGN-UKRRQHHQSA-N 1 0 320.393 1.954 20 5 DDBDRO C[C@H]([NH3+])CCNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000417991183 419457452 /nfs/dbraw/zinc/45/74/52/419457452.db2.gz NAPLLVGMSOPAOP-VIFPVBQESA-N 1 0 314.773 1.827 20 5 DDBDRO CC(C)(CN1CCOCC1)[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000412008793 419561730 /nfs/dbraw/zinc/56/17/30/419561730.db2.gz YYCIVRMEJOAZTA-UHFFFAOYSA-N 1 0 323.393 1.674 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC000427324490 419638481 /nfs/dbraw/zinc/63/84/81/419638481.db2.gz MWISOVJMMYOAGZ-MNOVXSKESA-N 1 0 307.354 1.168 20 5 DDBDRO C[NH+](C)CCN(Cc1ccsc1)c1ncc([N+](=O)[O-])c(N)n1 ZINC000413446741 419783811 /nfs/dbraw/zinc/78/38/11/419783811.db2.gz HOWPPDGHTBKVPX-UHFFFAOYSA-N 1 0 322.394 1.597 20 5 DDBDRO [NH3+][C@@H](CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)C1CC1 ZINC000418503109 419841044 /nfs/dbraw/zinc/84/10/44/419841044.db2.gz WWLLZIWYRXMEKC-AWEZNQCLSA-N 1 0 304.350 1.400 20 5 DDBDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000418576314 419882090 /nfs/dbraw/zinc/88/20/90/419882090.db2.gz ODGYDASIEMURHL-TZMCWYRMSA-N 1 0 320.393 1.777 20 5 DDBDRO Cc1cc(OCC(=O)N2CC[N@@H+](C)[C@@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000432249306 229090345 /nfs/dbraw/zinc/09/03/45/229090345.db2.gz CUTUUKFJVVFKQQ-QWHCGFSZSA-N 1 0 321.377 1.833 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000299470091 229136889 /nfs/dbraw/zinc/13/68/89/229136889.db2.gz BHEQUHMMTZGVCE-OLZOCXBDSA-N 1 0 321.381 1.233 20 5 DDBDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(CCn2ccc([N+](=O)[O-])n2)C[C@@H](C)C1 ZINC000429027300 419964188 /nfs/dbraw/zinc/96/41/88/419964188.db2.gz DRMGBCUDPQHEQX-RDBSUJKOSA-N 1 0 307.398 1.453 20 5 DDBDRO CSC[C@H]1CCC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000429295840 419999098 /nfs/dbraw/zinc/99/90/98/419999098.db2.gz BGXDXQPPLUGMSP-AAEUAGOBSA-N 1 0 314.411 1.227 20 5 DDBDRO CC(C)[C@@H]([NH3+])CN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000423276495 420001243 /nfs/dbraw/zinc/00/12/43/420001243.db2.gz OMFKJXDMEVWDEG-GJZGRUSLSA-N 1 0 317.393 1.991 20 5 DDBDRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000415377754 420042292 /nfs/dbraw/zinc/04/22/92/420042292.db2.gz BLTYBWPBASUPSG-HMKSTLMESA-N 1 0 305.338 1.049 20 5 DDBDRO COc1ccc(NC(=O)NC2(C)CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000415444089 420069709 /nfs/dbraw/zinc/06/97/09/420069709.db2.gz RFNIABDUNLINCH-UHFFFAOYSA-N 1 0 308.338 1.867 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)c1 ZINC000423461599 420055576 /nfs/dbraw/zinc/05/55/76/420055576.db2.gz JVNUKZDWWGTRTD-WDEREUQCSA-N 1 0 307.350 1.803 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000415509909 420094628 /nfs/dbraw/zinc/09/46/28/420094628.db2.gz XTFCYHMOHJLCPW-SNVBAGLBSA-N 1 0 308.338 1.725 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000423608181 420099244 /nfs/dbraw/zinc/09/92/44/420099244.db2.gz LIQVSIYNXQBABK-WDEREUQCSA-N 1 0 307.350 1.864 20 5 DDBDRO Cc1c(CC(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)cccc1[N+](=O)[O-] ZINC000423662494 420117894 /nfs/dbraw/zinc/11/78/94/420117894.db2.gz BSAHYVUACFJZFP-GASCZTMLSA-N 1 0 317.389 1.904 20 5 DDBDRO COc1cccc(C(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000423692352 420129160 /nfs/dbraw/zinc/12/91/60/420129160.db2.gz GAKDJAPTKQXCRH-GHMZBOCLSA-N 1 0 307.350 1.851 20 5 DDBDRO [NH3+]CC[C@H](NC(=O)c1ccc([N+](=O)[O-])c2cccnc12)C(F)F ZINC000423695967 420131432 /nfs/dbraw/zinc/13/14/32/420131432.db2.gz HLCZUTGZDYKOAV-JTQLQIEISA-N 1 0 324.287 1.855 20 5 DDBDRO CCOc1ccc([C@H](C)NC[C@H]2C[NH2+]CCO2)cc1[N+](=O)[O-] ZINC000423550558 420079564 /nfs/dbraw/zinc/07/95/64/420079564.db2.gz FQCURCUGPJNMRL-WCQYABFASA-N 1 0 309.366 1.633 20 5 DDBDRO CCO[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1OC ZINC000430206035 420091099 /nfs/dbraw/zinc/09/10/99/420091099.db2.gz VNVZUMZRCBOEPX-DZGCQCFKSA-N 1 0 310.350 1.887 20 5 DDBDRO COC(=O)c1cc(C(=O)N2CC[NH2+][C@@H](C)[C@H]2C)cc([N+](=O)[O-])c1 ZINC000423591606 420092180 /nfs/dbraw/zinc/09/21/80/420092180.db2.gz CKCROKMJPCTLBD-VHSXEESVSA-N 1 0 321.333 1.204 20 5 DDBDRO C[C@@H](NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](C)[NH3+] ZINC000415811605 420186893 /nfs/dbraw/zinc/18/68/93/420186893.db2.gz RZPNWAQKBPPFTD-NKWVEPMBSA-N 1 0 314.729 1.039 20 5 DDBDRO CC(C)[C@](C)(CN)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000420320489 420205571 /nfs/dbraw/zinc/20/55/71/420205571.db2.gz QJOCRPSINRXTSA-HNNXBMFYSA-N 1 0 308.382 1.886 20 5 DDBDRO O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000423726340 420145455 /nfs/dbraw/zinc/14/54/55/420145455.db2.gz PSMVQBIRKIUYGS-RFAUZJTJSA-N 1 0 315.333 1.799 20 5 DDBDRO CCCC[C@H](C[NH3+])Nc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000420213333 420152446 /nfs/dbraw/zinc/15/24/46/420152446.db2.gz YMDMUWCCYIDORB-LLVKDONJSA-N 1 0 305.338 2.574 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000423748802 420158390 /nfs/dbraw/zinc/15/83/90/420158390.db2.gz RXRWGRJSVVFLIM-LBPRGKRZSA-N 1 0 307.350 1.320 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCCC[C@@H]1C[NH3+] ZINC000430625051 420163380 /nfs/dbraw/zinc/16/33/80/420163380.db2.gz KBWOATPFRRTSRS-GFCCVEGCSA-N 1 0 322.365 1.355 20 5 DDBDRO CCOc1ccc(NC(=O)CN(C)[C@@H](C)C[NH3+])c([N+](=O)[O-])c1 ZINC000430963055 420226536 /nfs/dbraw/zinc/22/65/36/420226536.db2.gz RZILAEWLSUVPRF-JTQLQIEISA-N 1 0 310.354 1.211 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000433847085 420255223 /nfs/dbraw/zinc/25/52/23/420255223.db2.gz CMMMJRVOHNNBAT-GHMZBOCLSA-N 1 0 321.381 1.798 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000420392136 420258804 /nfs/dbraw/zinc/25/88/04/420258804.db2.gz IZKUUCACPDDWLX-OLZOCXBDSA-N 1 0 320.393 1.914 20 5 DDBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC(O)(C[NH3+])CC1 ZINC000420407603 420265681 /nfs/dbraw/zinc/26/56/81/420265681.db2.gz USRSDDNZSATSJQ-UHFFFAOYSA-N 1 0 323.393 1.668 20 5 DDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)CCC[NH3+] ZINC000420432952 420282478 /nfs/dbraw/zinc/28/24/78/420282478.db2.gz CERDMIYNUGULJP-SNVBAGLBSA-N 1 0 315.395 1.563 20 5 DDBDRO [NH3+][C@@H]1CCC[C@@H](CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000420456863 420299104 /nfs/dbraw/zinc/29/91/04/420299104.db2.gz APJXKKKGFQMLNN-GHMZBOCLSA-N 1 0 313.379 1.391 20 5 DDBDRO C[C@H]1CN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000417738824 420464085 /nfs/dbraw/zinc/46/40/85/420464085.db2.gz YPRNHCSPTVEIIL-ZDUSSCGKSA-N 1 0 320.393 1.921 20 5 DDBDRO O=C(NCCC[NH2+]C1CC1)NCCc1ccccc1[N+](=O)[O-] ZINC000417770875 420474328 /nfs/dbraw/zinc/47/43/28/420474328.db2.gz UMKIJHDOEACROY-UHFFFAOYSA-N 1 0 306.366 1.579 20 5 DDBDRO C[NH2+]CCN(C)S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000440837917 420611238 /nfs/dbraw/zinc/61/12/38/420611238.db2.gz ZLAQWERPJIJHEW-UHFFFAOYSA-N 1 0 301.368 1.052 20 5 DDBDRO CC[NH+]1CCN(CC(C)(C)Nc2ncc([N+](=O)[O-])s2)CC1 ZINC000450921460 420561518 /nfs/dbraw/zinc/56/15/18/420561518.db2.gz HZKQVFVMEKARFQ-UHFFFAOYSA-N 1 0 313.427 1.879 20 5 DDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCC[N@H+]1CCCO ZINC000452781828 420659713 /nfs/dbraw/zinc/65/97/13/420659713.db2.gz ISQXBOGSYLMJOX-HNNXBMFYSA-N 1 0 321.377 1.100 20 5 DDBDRO C[N@H+](CCNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000443712890 420753778 /nfs/dbraw/zinc/75/37/78/420753778.db2.gz XJYOUMTZYMSTRM-UHFFFAOYSA-N 1 0 313.379 1.108 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@@H](C[NH3+])C[C@H]1C ZINC000442765167 420710955 /nfs/dbraw/zinc/71/09/55/420710955.db2.gz HBUUUYDIFZWWNT-VXGBXAGGSA-N 1 0 306.366 1.511 20 5 DDBDRO NC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000453374649 420723750 /nfs/dbraw/zinc/72/37/50/420723750.db2.gz SMBKBWOOTFVKRX-VOAKCMCISA-N 1 0 321.381 1.519 20 5 DDBDRO C[NH+](C)C/C=C/C(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000493288762 420809347 /nfs/dbraw/zinc/80/93/47/420809347.db2.gz GYTMPOCZYAQQSD-ONEGZZNKSA-N 1 0 305.334 1.434 20 5 DDBDRO CNc1nc(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)ccc1[N+](=O)[O-] ZINC000454747711 420918916 /nfs/dbraw/zinc/91/89/16/420918916.db2.gz CAXAUMQMJWENAA-PWSUYJOCSA-N 1 0 319.365 1.388 20 5 DDBDRO CCNC(=O)N1CC[C@@H]([NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000449187891 420966724 /nfs/dbraw/zinc/96/67/24/420966724.db2.gz RMKPWXKOOQADPR-GXTWGEPZSA-N 1 0 320.393 1.919 20 5 DDBDRO CNc1nc(C(=O)NCCC2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000455244125 420989047 /nfs/dbraw/zinc/98/90/47/420989047.db2.gz NBFJDLVXMGYLTQ-UHFFFAOYSA-N 1 0 321.381 1.493 20 5 DDBDRO COc1cc(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)ccc1[N+](=O)[O-] ZINC000449662869 421050850 /nfs/dbraw/zinc/05/08/50/421050850.db2.gz NAKIYYDPDJYDTE-LLVKDONJSA-N 1 0 315.276 1.330 20 5 DDBDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000487847073 421052499 /nfs/dbraw/zinc/05/24/99/421052499.db2.gz ZGROHWJLHFZUDO-NSHDSACASA-N 1 0 312.370 1.020 20 5 DDBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H](C)N(C)C ZINC000449556992 421026346 /nfs/dbraw/zinc/02/63/46/421026346.db2.gz OUULXNJLKZVWIH-NEPJUHHUSA-N 1 0 308.382 1.852 20 5 DDBDRO C[C@@H](NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])[C@H](C)[NH3+] ZINC000449594001 421034999 /nfs/dbraw/zinc/03/49/99/421034999.db2.gz WRDNPKYSHVGMKX-DTWKUNHWSA-N 1 0 315.757 1.869 20 5 DDBDRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000449627990 421040622 /nfs/dbraw/zinc/04/06/22/421040622.db2.gz RJNBBSZIBGVHNK-ZAQWFSBCSA-N 1 0 303.362 1.769 20 5 DDBDRO CNc1nc(C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000456019966 421090142 /nfs/dbraw/zinc/09/01/42/421090142.db2.gz IOKUWNFUAOTOEZ-JOYOIKCWSA-N 1 0 319.365 1.244 20 5 DDBDRO CCc1ccc(C(=O)NC[C@H]2C[NH2+]CCCO2)cc1[N+](=O)[O-] ZINC000449711408 421066893 /nfs/dbraw/zinc/06/68/93/421066893.db2.gz OKLATERVSRODDZ-CYBMUJFWSA-N 1 0 307.350 1.266 20 5 DDBDRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000488357853 421084729 /nfs/dbraw/zinc/08/47/29/421084729.db2.gz QFCSTNSJFLIXKU-WFASDCNBSA-N 1 0 305.378 1.793 20 5 DDBDRO CC[C@H]1C[N@H+](CC)CCN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000456343864 421146322 /nfs/dbraw/zinc/14/63/22/421146322.db2.gz GTTOMRXRMQFSBP-ZDUSSCGKSA-N 1 0 321.377 1.916 20 5 DDBDRO Cc1cc(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])on1 ZINC000563528801 421516940 /nfs/dbraw/zinc/51/69/40/421516940.db2.gz HANOKDHGKNZAGK-LLVKDONJSA-N 1 0 307.306 1.421 20 5 DDBDRO CN(CCC[NH+](C)C)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000539394387 421747770 /nfs/dbraw/zinc/74/77/70/421747770.db2.gz OBFPXYRAMYNGNW-UHFFFAOYSA-N 1 0 315.395 1.386 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CC3CCC2(C[NH3+])CC3)n1 ZINC000581198694 421921979 /nfs/dbraw/zinc/92/19/79/421921979.db2.gz YJZUWDRSNOAWEJ-UHFFFAOYSA-N 1 0 307.354 1.155 20 5 DDBDRO CCO[C@H]1C[C@@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000573358166 421954548 /nfs/dbraw/zinc/95/45/48/421954548.db2.gz GCJLVMIPWYTRNM-KYOSRNDESA-N 1 0 310.350 1.492 20 5 DDBDRO COc1ccc(CC(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)cc1[N+](=O)[O-] ZINC000574276314 422087461 /nfs/dbraw/zinc/08/74/61/422087461.db2.gz VGXAWFJRHWDSQH-CMPLNLGQSA-N 1 0 307.350 1.403 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CC2Cc3ccccc3C2)c1 ZINC000582415984 422147361 /nfs/dbraw/zinc/14/73/61/422147361.db2.gz QDRPZNRFKOWANU-MRXNPFEDSA-N 1 0 316.361 1.157 20 5 DDBDRO C[C@H](O)CCC[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000583500180 422173977 /nfs/dbraw/zinc/17/39/77/422173977.db2.gz PALIQCGATQRVJG-NSHDSACASA-N 1 0 316.379 1.119 20 5 DDBDRO CCCN(C(=O)c1ccnc(NC)c1[N+](=O)[O-])[C@@H]1CC[N@H+](C)C1 ZINC000594373841 422347526 /nfs/dbraw/zinc/34/75/26/422347526.db2.gz INSAVPVLOLSJBK-LLVKDONJSA-N 1 0 321.381 1.588 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H](O)[C@H]1C ZINC000590762471 422323322 /nfs/dbraw/zinc/32/33/22/422323322.db2.gz ZPFWRVHBWHLIPB-BXUZGUMPSA-N 1 0 307.350 1.687 20 5 DDBDRO CC[N@@H+]1CC[C@@H](CNC(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000341717923 271185394 /nfs/dbraw/zinc/18/53/94/271185394.db2.gz YHYYTXDXFNHWEJ-ZDUSSCGKSA-N 1 0 321.377 1.822 20 5 DDBDRO C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000341921018 271248900 /nfs/dbraw/zinc/24/89/00/271248900.db2.gz HYCOTNQHSADIBJ-STQMWFEESA-N 1 0 321.377 1.740 20 5 DDBDRO CC[N@@H+]1CCC[C@@H](CNc2nc(C(=O)OC)ccc2[N+](=O)[O-])C1 ZINC000341934866 271251368 /nfs/dbraw/zinc/25/13/68/271251368.db2.gz YCWAQMNBLZTNBF-NSHDSACASA-N 1 0 322.365 1.920 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[NH2+]C2CCN(CC(F)F)CC2)c1 ZINC000342790175 271519778 /nfs/dbraw/zinc/51/97/78/271519778.db2.gz ZKWQKDJHFRXBBA-UHFFFAOYSA-N 1 0 303.313 1.110 20 5 DDBDRO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3c([N+](=O)[O-])ncn3C)[C@H]2C1 ZINC000344121214 271951037 /nfs/dbraw/zinc/95/10/37/271951037.db2.gz SROWEOZZHYDDFD-RWMBFGLXSA-N 1 0 321.381 1.065 20 5 DDBDRO CC[N@@H+]1C[C@H](C)N(C(=O)COc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000345995706 272385386 /nfs/dbraw/zinc/38/53/86/272385386.db2.gz UKJCQTJZEKFKLP-OLZOCXBDSA-N 1 0 321.377 1.915 20 5 DDBDRO C[NH2+]C[C@H]1CCCN1C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000418077499 273967083 /nfs/dbraw/zinc/96/70/83/273967083.db2.gz HXCQDXUSWHWOMM-CYBMUJFWSA-N 1 0 306.366 1.797 20 5 DDBDRO C[C@@H](O)C[NH+]1CCN(c2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000294851508 274272297 /nfs/dbraw/zinc/27/22/97/274272297.db2.gz CFPHFDWKZKDQGD-GFCCVEGCSA-N 1 0 316.361 1.646 20 5 DDBDRO C[C@H]([NH3+])[C@H](C)NC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000418690627 274505285 /nfs/dbraw/zinc/50/52/85/274505285.db2.gz CZRHGYAMVNCNIC-UWVGGRQHSA-N 1 0 308.338 1.235 20 5 DDBDRO [NH3+]C1(CO)CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000301295621 274943010 /nfs/dbraw/zinc/94/30/10/274943010.db2.gz SCGCEKGBESQAQG-UHFFFAOYSA-N 1 0 302.334 1.433 20 5 DDBDRO CC1(C)C[C@H]([NH2+]CC2(CO)COC2)c2cc([N+](=O)[O-])ccc21 ZINC000279151843 275867331 /nfs/dbraw/zinc/86/73/31/275867331.db2.gz SSICFVBNGALMSB-AWEZNQCLSA-N 1 0 306.362 1.916 20 5 DDBDRO CC[NH+]1CCN([C@H]2CCN(c3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000106478979 276201867 /nfs/dbraw/zinc/20/18/67/276201867.db2.gz FONPFIAENSAMGP-AWEZNQCLSA-N 1 0 305.382 1.206 20 5 DDBDRO CN(C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C1CC([NH3+])C1 ZINC000295180260 276737367 /nfs/dbraw/zinc/73/73/67/276737367.db2.gz HJEFYRSNLJEXFV-UHFFFAOYSA-N 1 0 318.377 1.757 20 5 DDBDRO C[NH+](C)[C@@H]1CCN(c2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000062984510 276837925 /nfs/dbraw/zinc/83/79/25/276837925.db2.gz ZAPMXCCNWUZMOL-SECBINFHSA-N 1 0 315.171 1.893 20 5 DDBDRO CN([C@@H](C[NH3+])C1CC1)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000261696498 277001193 /nfs/dbraw/zinc/00/11/93/277001193.db2.gz NURAGNBZHNQYDD-NSHDSACASA-N 1 0 317.342 1.092 20 5 DDBDRO C[N@@H+]1CCO[C@@H]2CN(c3c4c(ccc3[N+](=O)[O-])NCC4)C[C@H]21 ZINC000408404820 277124247 /nfs/dbraw/zinc/12/42/47/277124247.db2.gz JWRRITFUDABSQC-ZIAGYGMSSA-N 1 0 304.350 1.082 20 5 DDBDRO C[NH2+]C[C@@H](C)CNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000154718576 277274635 /nfs/dbraw/zinc/27/46/35/277274635.db2.gz ZUBXKZFOHDVFLQ-SECBINFHSA-N 1 0 318.333 1.022 20 5 DDBDRO C[C@@H](O)C[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])[C@H](C)CO ZINC000276184954 278394351 /nfs/dbraw/zinc/39/43/51/278394351.db2.gz KUUOSNRVLYCABC-NXEZZACHSA-N 1 0 302.758 1.812 20 5 DDBDRO C[C@@H]1C[C@H](C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)CCO1 ZINC000453573032 278962213 /nfs/dbraw/zinc/96/22/13/278962213.db2.gz GENXLWGGUFECMX-ZIAGYGMSSA-N 1 0 320.393 1.927 20 5 DDBDRO C[C@H](C[NH3+])NC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000415602322 279294536 /nfs/dbraw/zinc/29/45/36/279294536.db2.gz RFBSPACODJFFNU-SECBINFHSA-N 1 0 322.365 1.294 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCC[C@H]2C[NH3+])c1 ZINC000420469355 280654656 /nfs/dbraw/zinc/65/46/56/280654656.db2.gz YZCGZTRBMZREBO-NSHDSACASA-N 1 0 313.379 1.323 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCC[C@@H]([NH3+])C1 ZINC000122348546 280656058 /nfs/dbraw/zinc/65/60/58/280656058.db2.gz UOFNOOMWMIEABD-LLVKDONJSA-N 1 0 313.379 1.323 20 5 DDBDRO CN(CC[NH+]1CCCC1)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000089899990 281027872 /nfs/dbraw/zinc/02/78/72/281027872.db2.gz YJKYQADWVAKABU-UHFFFAOYSA-N 1 0 320.393 1.585 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[C@H]([C@@H](C)O)C1 ZINC000120812451 281126072 /nfs/dbraw/zinc/12/60/72/281126072.db2.gz ABXCJOZIRJIFQU-OLZOCXBDSA-N 1 0 321.377 1.935 20 5 DDBDRO C[N@@H+]1CCO[C@@H]2CCN(c3ncc(Cl)cc3[N+](=O)[O-])C[C@@H]21 ZINC000285012776 290088339 /nfs/dbraw/zinc/08/83/39/290088339.db2.gz MKUFLZVNNGCLAT-NWDGAFQWSA-N 1 0 312.757 1.553 20 5 DDBDRO Cc1nn(CCC(=O)N[C@H]2[C@@H](C)[NH2+]CC[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000357292862 299003612 /nfs/dbraw/zinc/00/36/12/299003612.db2.gz GZIPJAHUIFKSCD-IMSIIYSGSA-N 1 0 323.397 1.301 20 5 DDBDRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1csc([N+](=O)[O-])c1 ZINC000363143934 300219397 /nfs/dbraw/zinc/21/93/97/300219397.db2.gz OBEHSWREMNLQJW-MNOVXSKESA-N 1 0 311.363 1.249 20 5 DDBDRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccccc1[N+](=O)[O-] ZINC000363198073 300229918 /nfs/dbraw/zinc/22/99/18/300229918.db2.gz YZGJWVLRKDKTSD-VXGBXAGGSA-N 1 0 305.334 1.188 20 5 DDBDRO CN(C(=O)CCOc1ccccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]CC1 ZINC000364666547 300426486 /nfs/dbraw/zinc/42/64/86/300426486.db2.gz RWHMBINYZGZJMU-CYBMUJFWSA-N 1 0 321.377 1.964 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1CN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000370045523 301264948 /nfs/dbraw/zinc/26/49/48/301264948.db2.gz MBKZBCNIERPKFC-CYBMUJFWSA-N 1 0 307.398 1.779 20 5 DDBDRO Cc1cc(C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)c([N+](=O)[O-])c(=O)[nH]1 ZINC000370263413 301304554 /nfs/dbraw/zinc/30/45/54/301304554.db2.gz XOXPIIFZKQIUQI-PWSUYJOCSA-N 1 0 320.349 1.170 20 5 DDBDRO Cc1cc(C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)c([N+](=O)[O-])c(=O)[nH]1 ZINC000370263414 301304880 /nfs/dbraw/zinc/30/48/80/301304880.db2.gz XOXPIIFZKQIUQI-ZYHUDNBSSA-N 1 0 320.349 1.170 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H](C[NH3+])CC(C)C ZINC000111829850 302047924 /nfs/dbraw/zinc/04/79/24/302047924.db2.gz GVSYEYUQHNOSFL-LLVKDONJSA-N 1 0 315.395 1.555 20 5 DDBDRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cccc([N+](=O)[O-])c1 ZINC000377468634 302181961 /nfs/dbraw/zinc/18/19/61/302181961.db2.gz CIDNPQDIYJATOW-ZIAGYGMSSA-N 1 0 305.334 1.188 20 5 DDBDRO C[NH2+]CCN(C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000420334209 302382696 /nfs/dbraw/zinc/38/26/96/302382696.db2.gz GJHRQWIUJJJMNB-UHFFFAOYSA-N 1 0 304.350 1.944 20 5 DDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000420442615 302384614 /nfs/dbraw/zinc/38/46/14/302384614.db2.gz PVVSEALDIYWBHB-DTWKUNHWSA-N 1 0 301.368 1.171 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@@H]2CCCS2)c1 ZINC000515467240 302776424 /nfs/dbraw/zinc/77/64/24/302776424.db2.gz UQJQJBHOGQEGTC-OCCSQVGLSA-N 1 0 312.391 1.820 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NCCC[NH+]1CCCCCC1 ZINC000516379384 302789780 /nfs/dbraw/zinc/78/97/80/302789780.db2.gz CLLJAZJRFFHAPK-UHFFFAOYSA-N 1 0 308.382 1.929 20 5 DDBDRO C[C@@H]1COCC[C@@H]1C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000521864915 302881504 /nfs/dbraw/zinc/88/15/04/302881504.db2.gz KMZYWCKCGUJREK-MGPQQGTHSA-N 1 0 324.377 1.597 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@H]2c2ccccn2)c1 ZINC000530963068 303222661 /nfs/dbraw/zinc/22/26/61/303222661.db2.gz BJBIZILWCHPDFY-ZFWWWQNUSA-N 1 0 317.349 1.384 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000532873517 303300338 /nfs/dbraw/zinc/30/03/38/303300338.db2.gz PCRBDDJMHNKITI-WCQYABFASA-N 1 0 306.366 1.490 20 5 DDBDRO C[C@@H]1C[NH2+]C[C@H]1CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001120644248 782068530 /nfs/dbraw/zinc/06/85/30/782068530.db2.gz CROLFDMFGGDIGH-RISCZKNCSA-N 1 0 318.377 1.518 20 5 DDBDRO C[C@H](C(=O)NCCNc1ccc([N+](=O)[O-])cc1)[NH+]1CC(C)C1 ZINC000563369819 303946268 /nfs/dbraw/zinc/94/62/68/303946268.db2.gz QOHOROZCIUIEPZ-GFCCVEGCSA-N 1 0 306.366 1.463 20 5 DDBDRO Cc1ccc(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1[N+](=O)[O-] ZINC000364060016 307040821 /nfs/dbraw/zinc/04/08/21/307040821.db2.gz JYAQKKUFFJESKE-ZIAGYGMSSA-N 1 0 319.361 1.496 20 5 DDBDRO O=C(CNc1ccccc1[N+](=O)[O-])N[C@H]1CC12CC[NH2+]CC2 ZINC000366595531 307077254 /nfs/dbraw/zinc/07/72/54/307077254.db2.gz LMQZPXWXLMLLMC-ZDUSSCGKSA-N 1 0 304.350 1.265 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000367075221 307084733 /nfs/dbraw/zinc/08/47/33/307084733.db2.gz SZKFUXDBSCDRJF-OAHLLOKOSA-N 1 0 307.350 1.259 20 5 DDBDRO O=[N+]([O-])c1cnc2ccc(N3CCC[N@@H+]4CCC[C@@H]4C3)nn21 ZINC000367303906 307091450 /nfs/dbraw/zinc/09/14/50/307091450.db2.gz ZKKIDGQLFXTFDD-LLVKDONJSA-N 1 0 302.338 1.312 20 5 DDBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000367374677 307092319 /nfs/dbraw/zinc/09/23/19/307092319.db2.gz LBUYLCOEVBGFGK-GSKXSAQWSA-N 1 0 307.325 1.766 20 5 DDBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)COc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000368610469 307106293 /nfs/dbraw/zinc/10/62/93/307106293.db2.gz FKZDBNQLPDBHIP-RWMBFGLXSA-N 1 0 319.361 1.559 20 5 DDBDRO O=C1N=NC(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)S1 ZINC000375334803 307222863 /nfs/dbraw/zinc/22/28/63/307222863.db2.gz CUFVQUZHOQKFGG-UHFFFAOYSA-N 1 0 310.339 1.186 20 5 DDBDRO O=[N+]([O-])c1cc(F)ccc1N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000375778865 307230881 /nfs/dbraw/zinc/23/08/81/307230881.db2.gz UBJOGKGEBOELMI-UKRRQHHQSA-N 1 0 309.341 1.769 20 5 DDBDRO CN1CC[NH2+]C[C@@H]1CNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000394769587 307295747 /nfs/dbraw/zinc/29/57/47/307295747.db2.gz DYGYYRSHKXLTIC-SNVBAGLBSA-N 1 0 318.299 1.929 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000517235220 307431009 /nfs/dbraw/zinc/43/10/09/307431009.db2.gz HNVQKBCHJULXLE-GFCCVEGCSA-N 1 0 317.349 1.538 20 5 DDBDRO O=C(CC[C@H]1CC[NH2+]C1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000564657904 308001598 /nfs/dbraw/zinc/00/15/98/308001598.db2.gz QYEHAQLKQJCALT-NSHDSACASA-N 1 0 304.350 1.264 20 5 DDBDRO Cc1ccsc1CC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000567464038 308081075 /nfs/dbraw/zinc/08/10/75/308081075.db2.gz CEHVNVVKVPGHFZ-GFCCVEGCSA-N 1 0 310.379 1.354 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC[C@H](c3ccncc3)C2)c1 ZINC000570118846 308159767 /nfs/dbraw/zinc/15/97/67/308159767.db2.gz YWHNPMKLKOUCEF-ZFWWWQNUSA-N 1 0 317.349 1.037 20 5 DDBDRO O=C(CC[NH2+]C[C@H](CO)C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000576703676 308333567 /nfs/dbraw/zinc/33/35/67/308333567.db2.gz MFZXOJGBTYSRLS-GFCCVEGCSA-N 1 0 307.350 1.532 20 5 DDBDRO O=C([C@@H]1CC12CC[NH2+]CC2)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000579713118 308552575 /nfs/dbraw/zinc/55/25/75/308552575.db2.gz BIRWYXLSGRNYRG-ZDUSSCGKSA-N 1 0 316.361 1.264 20 5 DDBDRO CS(=O)(=O)c1ccc(N[C@H]2CCC[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000382448855 325745087 /nfs/dbraw/zinc/74/50/87/325745087.db2.gz LLDIECZLTLTLMJ-UWVGGRQHSA-N 1 0 313.379 1.680 20 5 DDBDRO Cc1cc(S(=O)(=O)N[C@H](C)CC[NH3+])c(C)cc1[N+](=O)[O-] ZINC000581896129 325933259 /nfs/dbraw/zinc/93/32/59/325933259.db2.gz ZMXVZPVCMUIGTE-SNVBAGLBSA-N 1 0 301.368 1.227 20 5 DDBDRO [NH3+][C@H](C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)C1CCC1 ZINC000583629371 336001234 /nfs/dbraw/zinc/00/12/34/336001234.db2.gz FAMURIUHKJNLNV-ZDUSSCGKSA-N 1 0 307.354 1.082 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2C[C@H]2c2ccccc2F)c1 ZINC000582840876 337207780 /nfs/dbraw/zinc/20/77/80/337207780.db2.gz OLKYADHNIZGCOQ-OSAQELSMSA-N 1 0 320.324 1.437 20 5 DDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CCO[C@H]2CC[N@H+](C)C[C@H]21 ZINC000584649406 337380492 /nfs/dbraw/zinc/38/04/92/337380492.db2.gz INEGSBQGXVAGSR-NEPJUHHUSA-N 1 0 309.370 1.029 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC[C@H](n3cncn3)C2)c1 ZINC000372370478 483932592 /nfs/dbraw/zinc/93/25/92/483932592.db2.gz UBSAKUIZRVSRHK-UONOGXRCSA-N 1 0 303.322 1.167 20 5 DDBDRO COC(=O)c1cc(C(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000423473215 533728889 /nfs/dbraw/zinc/72/88/89/533728889.db2.gz QPKZWXRQQLZYMT-VHSXEESVSA-N 1 0 321.333 1.191 20 5 DDBDRO COC(=O)Cc1ccc(NCC2([NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000419008006 533761134 /nfs/dbraw/zinc/76/11/34/533761134.db2.gz KWQWQAAHRRZXQG-UHFFFAOYSA-N 1 0 307.350 1.816 20 5 DDBDRO COc1cc(CN2CC[NH+](C[C@H](C)O)CC2)ccc1[N+](=O)[O-] ZINC000494452466 533810509 /nfs/dbraw/zinc/81/05/09/533810509.db2.gz IGUBAPTUMPDTOU-LBPRGKRZSA-N 1 0 309.366 1.102 20 5 DDBDRO COc1cc(C[NH2+]CCc2nccnc2C)c([N+](=O)[O-])cc1O ZINC000292906812 533877579 /nfs/dbraw/zinc/87/75/79/533877579.db2.gz FCISSEZLCSVHBT-UHFFFAOYSA-N 1 0 318.333 1.740 20 5 DDBDRO COC(=O)c1cc(NC(=O)[C@H](C[NH3+])C(C)C)cc([N+](=O)[O-])c1 ZINC000433122550 533884447 /nfs/dbraw/zinc/88/44/47/533884447.db2.gz VZCGBQQESSGVOD-GFCCVEGCSA-N 1 0 309.322 1.551 20 5 DDBDRO C[C@H](CC[NH3+])NC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000418555670 533898377 /nfs/dbraw/zinc/89/83/77/533898377.db2.gz NUSHBBHTLAEAON-SNVBAGLBSA-N 1 0 308.338 1.105 20 5 DDBDRO C[C@H]1C[NH+](CCCCNc2c([N+](=O)[O-])ncn2C)C[C@H](C)O1 ZINC000443951540 533928413 /nfs/dbraw/zinc/92/84/13/533928413.db2.gz KETYGTSUHUEGKC-RYUDHWBXSA-N 1 0 311.386 1.630 20 5 DDBDRO CS[C@H]1CN(C(=O)c2c(N)cccc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000330747786 534120666 /nfs/dbraw/zinc/12/06/66/534120666.db2.gz GMCYGFRXFPYEME-RYUDHWBXSA-N 1 0 324.406 1.295 20 5 DDBDRO Cc1cc(C[NH3+])cc(NC(=O)NCCn2cc([N+](=O)[O-])cn2)c1 ZINC000424439848 534177277 /nfs/dbraw/zinc/17/72/77/534177277.db2.gz SONLGTYCFPASHQ-UHFFFAOYSA-N 1 0 318.337 1.380 20 5 DDBDRO C[C@@H]1OCC[C@@]1(C)[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000494225952 534186498 /nfs/dbraw/zinc/18/64/98/534186498.db2.gz DPFQKHRPSNQNDB-XHDPSFHLSA-N 1 0 307.350 1.715 20 5 DDBDRO C[C@@H]1OCC[C@]1(C)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000494281659 534205672 /nfs/dbraw/zinc/20/56/72/534205672.db2.gz HAJYXKUYNADSQQ-HUBLWGQQSA-N 1 0 310.350 1.492 20 5 DDBDRO C[C@@H]1[C@H](C)N(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[N@H+]1C ZINC000444688245 534249945 /nfs/dbraw/zinc/24/99/45/534249945.db2.gz IXNNWQYUAJKGKC-MNOVXSKESA-N 1 0 303.366 1.996 20 5 DDBDRO NC(=O)c1ccc(C[N@@H+]2CCC[C@]3(CCOC3)C2)c([N+](=O)[O-])c1 ZINC000451900814 534480935 /nfs/dbraw/zinc/48/09/35/534480935.db2.gz MGBFDXBGVUIBOV-INIZCTEOSA-N 1 0 319.361 1.696 20 5 DDBDRO Cc1nc(NCCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000297616124 534489357 /nfs/dbraw/zinc/48/93/57/534489357.db2.gz VZNVLUZVPQHFFN-TXEJJXNPSA-N 1 0 323.397 1.995 20 5 DDBDRO CCCC[C@@H]([NH3+])C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000154584377 521061769 /nfs/dbraw/zinc/06/17/69/521061769.db2.gz RPQBQYRNKOKQCC-WCQYABFASA-N 1 0 321.381 1.520 20 5 DDBDRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000449614316 534570778 /nfs/dbraw/zinc/57/07/78/534570778.db2.gz GMPDQXDCCMQMHC-ZAQWFSBCSA-N 1 0 303.362 1.769 20 5 DDBDRO C[C@@H]1CN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)[C@H](C)C[NH2+]1 ZINC000156242533 525042068 /nfs/dbraw/zinc/04/20/68/525042068.db2.gz UTACTQSMJFGGTM-GHMZBOCLSA-N 1 0 313.379 1.107 20 5 DDBDRO CC1(CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)CC[NH2+]CC1 ZINC000417236455 527956845 /nfs/dbraw/zinc/95/68/45/527956845.db2.gz UHGRBOVWRFCHSE-UHFFFAOYSA-N 1 0 320.393 1.826 20 5 DDBDRO CCC[NH2+][C@@H](C)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000294637718 528536729 /nfs/dbraw/zinc/53/67/29/528536729.db2.gz AVGLFHTWIPYBKN-ZDUSSCGKSA-N 1 0 320.393 1.632 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000423701658 528611095 /nfs/dbraw/zinc/61/10/95/528611095.db2.gz XAJLZIPXIOVPKL-BXUZGUMPSA-N 1 0 319.361 1.818 20 5 DDBDRO CCC(CC)(C[NH3+])NC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000422817540 528655486 /nfs/dbraw/zinc/65/54/86/528655486.db2.gz HRLZUADESJIBDN-UHFFFAOYSA-N 1 0 323.349 1.629 20 5 DDBDRO CC1(C)CCC[NH2+][C@@H]1C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000422937629 528944781 /nfs/dbraw/zinc/94/47/81/528944781.db2.gz OMPAQGOTYKOYKG-CQSZACIVSA-N 1 0 320.393 1.901 20 5 DDBDRO C[C@H]1CN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000820770245 606804032 /nfs/dbraw/zinc/80/40/32/606804032.db2.gz ZXKHRZLCIRHXKF-TVQRCGJNSA-N 1 0 317.353 1.161 20 5 DDBDRO CN(CCC[NH+](C)C)c1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000825859907 608583544 /nfs/dbraw/zinc/58/35/44/608583544.db2.gz IOFWSNJBRXTSDO-UHFFFAOYSA-N 1 0 305.342 1.163 20 5 DDBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000072501211 696394121 /nfs/dbraw/zinc/39/41/21/696394121.db2.gz FCFGLPDCEZTAIE-ZDUSSCGKSA-N 1 0 320.393 1.875 20 5 DDBDRO C[NH+](C)[C@H]1CCCN(Cn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000152298464 696897428 /nfs/dbraw/zinc/89/74/28/696897428.db2.gz FFLIHLWUEKWCPW-LBPRGKRZSA-N 1 0 320.349 1.486 20 5 DDBDRO Cc1ncc(C[N@@H+](C)C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)o1 ZINC000985433233 697510596 /nfs/dbraw/zinc/51/05/96/697510596.db2.gz JPUFURRSELCJTG-ZIAGYGMSSA-N 1 0 322.365 1.071 20 5 DDBDRO Cc1ccc(S(=O)(=O)NC2(C)CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000229625899 697779175 /nfs/dbraw/zinc/77/91/75/697779175.db2.gz VRHKKVSNRATMFF-UHFFFAOYSA-N 1 0 313.379 1.324 20 5 DDBDRO CC[N@H+](C[C@@H]1CCOC1)Cn1nc(C)c2cc([N+](=O)[O-])cnc21 ZINC000749953227 700194496 /nfs/dbraw/zinc/19/44/96/700194496.db2.gz CJFAQWQAHJMRJY-LBPRGKRZSA-N 1 0 319.365 1.964 20 5 DDBDRO NC(=O)CC1CC[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776278363 698091160 /nfs/dbraw/zinc/09/11/60/698091160.db2.gz UZBDLHVEAODZCE-CQSZACIVSA-N 1 0 307.350 1.216 20 5 DDBDRO CNC(=O)[C@H]1CCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776582443 698121599 /nfs/dbraw/zinc/12/15/99/698121599.db2.gz QOYVJOBTSZLIDS-JSGCOSHPSA-N 1 0 307.350 1.086 20 5 DDBDRO C[NH2+][C@@H]1CCCN(CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1 ZINC000261773430 698437135 /nfs/dbraw/zinc/43/71/35/698437135.db2.gz OHEUOPZNHIHAKL-GFCCVEGCSA-N 1 0 306.366 1.526 20 5 DDBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)C(=O)NCCF ZINC000800530905 700231249 /nfs/dbraw/zinc/23/12/49/700231249.db2.gz YHMSXBMJEHBVOH-MRVPVSSYSA-N 1 0 303.721 1.812 20 5 DDBDRO O=C1NCC2(CC[NH+](CCOc3cccc([N+](=O)[O-])c3)CC2)O1 ZINC000781998208 698670707 /nfs/dbraw/zinc/67/07/07/698670707.db2.gz LBIHROPSFVBGEJ-UHFFFAOYSA-N 1 0 321.333 1.548 20 5 DDBDRO C[C@]1(CO)C[C@H](O)CN1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000704676954 699237819 /nfs/dbraw/zinc/23/78/19/699237819.db2.gz BLUNENGNZDEQNR-GXFFZTMASA-N 1 0 300.742 1.566 20 5 DDBDRO COC(=O)C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CC1 ZINC000792877976 699720271 /nfs/dbraw/zinc/72/02/71/699720271.db2.gz YIRXIMGULIASNW-GFCCVEGCSA-N 1 0 323.305 1.934 20 5 DDBDRO CC[C@@H](CO)[NH2+][C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000737387118 699739346 /nfs/dbraw/zinc/73/93/46/699739346.db2.gz KYICRECKFYREMA-UWVGGRQHSA-N 1 0 311.338 1.291 20 5 DDBDRO C[NH+](C)CCNC(=S)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000793309368 699749252 /nfs/dbraw/zinc/74/92/52/699749252.db2.gz OGGNHYCQLIRFCZ-UHFFFAOYSA-N 1 0 310.423 1.856 20 5 DDBDRO C[C@@H]1CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000761074703 700839548 /nfs/dbraw/zinc/83/95/48/700839548.db2.gz FDRSQCOXOXFEPJ-GFCCVEGCSA-N 1 0 306.366 1.559 20 5 DDBDRO COC(=O)C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CC1 ZINC000769792955 701256082 /nfs/dbraw/zinc/25/60/82/701256082.db2.gz BKYOVZXCUJNXEB-LBPRGKRZSA-N 1 0 318.333 1.902 20 5 DDBDRO C[C@@]12C[NH+](Cc3ccc([N+](=O)[O-])c(F)c3)C[C@@]1(C)C(=O)NC2=O ZINC000879158115 706601763 /nfs/dbraw/zinc/60/17/63/706601763.db2.gz NQTQHNGEDUAWLS-GJZGRUSLSA-N 1 0 321.308 1.219 20 5 DDBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N[C@@H](CO)C[NH+]1CCCC1 ZINC000808223811 701509343 /nfs/dbraw/zinc/50/93/43/701509343.db2.gz ZKNZGPVZFSLHFI-BMWLXYDHSA-N 1 0 319.361 1.181 20 5 DDBDRO C[NH+](C)CCCOC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000808562419 701524261 /nfs/dbraw/zinc/52/42/61/701524261.db2.gz OYFKKFLZHCWAMK-UHFFFAOYSA-N 1 0 302.277 1.910 20 5 DDBDRO CC(C)[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C[C@H]1CCC(=O)N1 ZINC000839671027 701776099 /nfs/dbraw/zinc/77/60/99/701776099.db2.gz XXRQWNAXSOWXOL-UKRRQHHQSA-N 1 0 321.377 1.617 20 5 DDBDRO COCCC1(NC(=O)c2cc(C)cc([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000868041976 701907578 /nfs/dbraw/zinc/90/75/78/701907578.db2.gz IYKMFTSUPQWSNK-UHFFFAOYSA-N 1 0 321.377 1.792 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@@H]2[C@@H](O)c2ccccc2)c1 ZINC000879245408 706627599 /nfs/dbraw/zinc/62/75/99/706627599.db2.gz XLWALMHTLCZDBB-CVEARBPZSA-N 1 0 316.361 1.989 20 5 DDBDRO COC(=O)c1cnc(N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)c([N+](=O)[O-])c1 ZINC000866206651 706648378 /nfs/dbraw/zinc/64/83/78/706648378.db2.gz FDJOIRCKPAVCPR-ZYHUDNBSSA-N 1 0 320.349 1.307 20 5 DDBDRO CO[C@@H]1CC[C@H](C)[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000879320868 706648778 /nfs/dbraw/zinc/64/87/78/706648778.db2.gz JSHBEQYEORECAY-BFHYXJOUSA-N 1 0 324.377 1.834 20 5 DDBDRO COc1cc(CC[NH2+]C[C@@H](O)C2CC2)c([N+](=O)[O-])cc1OC ZINC000840740563 702224091 /nfs/dbraw/zinc/22/40/91/702224091.db2.gz URUJQAOFJFGYCT-CYBMUJFWSA-N 1 0 310.350 1.515 20 5 DDBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H](C)Cn1cncn1 ZINC000866249474 706657693 /nfs/dbraw/zinc/65/76/93/706657693.db2.gz KGGMYRWRMIVNHC-GHMZBOCLSA-N 1 0 307.329 1.935 20 5 DDBDRO CN(C[C@@H]1CCC[N@@H+]1C)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000817371916 702359310 /nfs/dbraw/zinc/35/93/10/702359310.db2.gz FNIXVRPDFFUDAJ-AWEZNQCLSA-N 1 0 303.366 1.928 20 5 DDBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC(=O)NCC1CC1 ZINC000866336784 706676299 /nfs/dbraw/zinc/67/62/99/706676299.db2.gz MNIIQNVPCUHMSG-JTQLQIEISA-N 1 0 309.341 1.781 20 5 DDBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCCOCCO ZINC000866337492 706676352 /nfs/dbraw/zinc/67/63/52/706676352.db2.gz SFBJAHADDSNKHX-NSHDSACASA-N 1 0 300.330 1.654 20 5 DDBDRO CC(C)(C)[C@@H](C[NH3+])NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000818003592 702550102 /nfs/dbraw/zinc/55/01/02/702550102.db2.gz WPUNDEJKOHCXFQ-LLVKDONJSA-N 1 0 310.310 1.606 20 5 DDBDRO CCN1C[C@H]([NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])CC1=O ZINC000866367100 706682901 /nfs/dbraw/zinc/68/29/01/706682901.db2.gz FUMZHSYBSFDLDX-GXFFZTMASA-N 1 0 309.341 1.875 20 5 DDBDRO CC[C@@H]([NH3+])CNC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000842007406 702653856 /nfs/dbraw/zinc/65/38/56/702653856.db2.gz PKVDSIMGBDVKMM-GFCCVEGCSA-N 1 0 321.381 1.164 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)CNC[C@@H](O)C[NH+]2CCCCC2)c1 ZINC000843062698 702811179 /nfs/dbraw/zinc/81/11/79/702811179.db2.gz RERBHLNKBIXNKW-HZPDHXFCSA-N 1 0 323.393 1.065 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@@H](CO)c2cccnc2)c1 ZINC000843083489 702815449 /nfs/dbraw/zinc/81/54/49/702815449.db2.gz PKACGWLCIMALGS-HOCLYGCPSA-N 1 0 317.345 1.389 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H](CO)CC(F)(F)F)cc1 ZINC000843089416 702816532 /nfs/dbraw/zinc/81/65/32/702816532.db2.gz STZINOKUGFISFB-GXSJLCMTSA-N 1 0 308.256 1.531 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(Cc2noc(COCC[NH3+])n2)c1 ZINC000843221954 702844903 /nfs/dbraw/zinc/84/49/03/702844903.db2.gz BLMXPNXWDCGAGZ-UHFFFAOYSA-N 1 0 308.294 1.053 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000843304858 702856805 /nfs/dbraw/zinc/85/68/05/702856805.db2.gz QNPDGUJZAVJXNB-JTQLQIEISA-N 1 0 308.294 1.293 20 5 DDBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000843508277 702897130 /nfs/dbraw/zinc/89/71/30/702897130.db2.gz PXIBJVFJZUUQJP-VHSXEESVSA-N 1 0 305.338 1.187 20 5 DDBDRO CN1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[C@H](Cc2ccccc2)C1 ZINC000844922706 703085921 /nfs/dbraw/zinc/08/59/21/703085921.db2.gz CVKYODBXSASHGF-RBSFLKMASA-N 1 0 303.362 1.037 20 5 DDBDRO CC[C@H]1C[N@H+](C)CCCN1C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000846972304 703359226 /nfs/dbraw/zinc/35/92/26/703359226.db2.gz MMWKJAPOBYVRCG-DZGCQCFKSA-N 1 0 321.377 1.571 20 5 DDBDRO C[N@@H+]1CC[C@H](CCOC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000847829082 703474179 /nfs/dbraw/zinc/47/41/79/703474179.db2.gz WGCFVLPKXWUWTN-SNVBAGLBSA-N 1 0 322.317 1.822 20 5 DDBDRO COc1cccc([N+](=O)[O-])c1NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000848659582 703572829 /nfs/dbraw/zinc/57/28/29/703572829.db2.gz MPSLQAVJWCFHTJ-RYUDHWBXSA-N 1 0 307.350 1.879 20 5 DDBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)NCC12CC(C1)C[NH2+]2 ZINC000851657823 703824256 /nfs/dbraw/zinc/82/42/56/703824256.db2.gz NPKGQLMIQRFLHB-UHFFFAOYSA-N 1 0 324.768 1.799 20 5 DDBDRO C[NH+]1CCC2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])CC2)CC1 ZINC000870508059 704065196 /nfs/dbraw/zinc/06/51/96/704065196.db2.gz PTYQJRAZKCIKFD-UHFFFAOYSA-N 1 0 307.354 1.266 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@@H]2CCc3c[nH]nc3C2)cc1 ZINC000819154239 704077608 /nfs/dbraw/zinc/07/76/08/704077608.db2.gz GCTPNVCFSNXMEI-DOMZBBRYSA-N 1 0 302.334 1.498 20 5 DDBDRO Cc1cccc(C)c1C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000819172471 704081048 /nfs/dbraw/zinc/08/10/48/704081048.db2.gz XPEVKHLVIIXEJP-CQSZACIVSA-N 1 0 304.350 1.559 20 5 DDBDRO CC[C@@H](CO)[NH+]1CCN(c2cc(OC)c(C)cc2[N+](=O)[O-])CC1 ZINC000853391005 704237858 /nfs/dbraw/zinc/23/78/58/704237858.db2.gz VZLLVZIYKXJLRE-ZDUSSCGKSA-N 1 0 323.393 1.805 20 5 DDBDRO O=[N+]([O-])c1c(F)cccc1N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000853966060 704341777 /nfs/dbraw/zinc/34/17/77/704341777.db2.gz OJKQAYIGDGTFDD-GFCCVEGCSA-N 1 0 309.341 1.769 20 5 DDBDRO C[C@H](CCNC(=O)COc1ccc(C=O)cc1[N+](=O)[O-])[NH+](C)C ZINC000855410837 704483619 /nfs/dbraw/zinc/48/36/19/704483619.db2.gz JUQUDEBWXDLGIC-LLVKDONJSA-N 1 0 323.349 1.243 20 5 DDBDRO COC(=O)c1ccnc(N2CCC[C@@H](C[NH+](C)C)C2)c1[N+](=O)[O-] ZINC000856726408 704535665 /nfs/dbraw/zinc/53/56/65/704535665.db2.gz FQOVJXJXEPGXQE-NSHDSACASA-N 1 0 322.365 1.554 20 5 DDBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857767260 704622773 /nfs/dbraw/zinc/62/27/73/704622773.db2.gz BCGOPJHOGUNSLR-IUCAKERBSA-N 1 0 317.292 1.808 20 5 DDBDRO C[C@@H]([NH3+])CN(C)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000858641105 704738528 /nfs/dbraw/zinc/73/85/28/704738528.db2.gz ABWYUQPDBDIGNE-SSDOTTSWSA-N 1 0 307.759 1.216 20 5 DDBDRO Cc1cc(S(=O)(=O)N[C@@H]2CC[NH2+][C@H]2C)cc([N+](=O)[O-])c1F ZINC000858641870 704738784 /nfs/dbraw/zinc/73/87/84/704738784.db2.gz CWUUOFWSKRYNCG-WCBMZHEXSA-N 1 0 317.342 1.071 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@H](C)[NH+](C)C)cc1F ZINC000867357548 706973557 /nfs/dbraw/zinc/97/35/57/706973557.db2.gz MULUJSBHWVPLQV-VIFPVBQESA-N 1 0 319.358 1.271 20 5 DDBDRO C[C@@H]1CC[C@H](CO)[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000880439806 706976957 /nfs/dbraw/zinc/97/69/57/706976957.db2.gz KKKXJTYLJFOVQR-UPJWGTAASA-N 1 0 310.350 1.180 20 5 DDBDRO COCC[N@H+](C)CCNC(=O)c1c(C)ccc([N+](=O)[O-])c1C ZINC000874299305 705001740 /nfs/dbraw/zinc/00/17/40/705001740.db2.gz QWYGBTHJIWWNFZ-UHFFFAOYSA-N 1 0 309.366 1.520 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)cc1 ZINC000859888696 705030722 /nfs/dbraw/zinc/03/07/22/705030722.db2.gz JJPXQCLLLDAOGW-CQHMPISHSA-N 1 0 324.402 1.614 20 5 DDBDRO O=[N+]([O-])c1ccccc1NCCc1noc([C@H]2C[NH2+]CCO2)n1 ZINC000822790008 705040409 /nfs/dbraw/zinc/04/04/09/705040409.db2.gz BQDHJTLIARKIAG-GFCCVEGCSA-N 1 0 319.321 1.293 20 5 DDBDRO O=[N+]([O-])c1ccc(OCc2nc(N3CC[NH2+]CC3)no2)cc1F ZINC000823309952 705202942 /nfs/dbraw/zinc/20/29/42/705202942.db2.gz QOJZLTNAACEDEN-UHFFFAOYSA-N 1 0 323.284 1.106 20 5 DDBDRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000874850728 705203642 /nfs/dbraw/zinc/20/36/42/705203642.db2.gz WFPULLZBCUORJU-LSDHHAIUSA-N 1 0 303.362 1.832 20 5 DDBDRO COCC[N@@H+]1CCC[C@H]1COC(=O)c1ccccc1[N+](=O)[O-] ZINC000861033762 705353661 /nfs/dbraw/zinc/35/36/61/705353661.db2.gz RLEDZVYICMAXDP-LBPRGKRZSA-N 1 0 308.334 1.862 20 5 DDBDRO CO[C@H]1C[N@H+](C)[C@](C)(COC(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC000861342994 705434616 /nfs/dbraw/zinc/43/46/16/705434616.db2.gz FZEDVKNEXREHRF-RISCZKNCSA-N 1 0 311.338 1.199 20 5 DDBDRO Cc1ccc(CNC(=O)[C@H](C)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000825648691 705708979 /nfs/dbraw/zinc/70/89/79/705708979.db2.gz XYHKTXNWXSOWTQ-CYBMUJFWSA-N 1 0 321.377 1.488 20 5 DDBDRO Nc1ccc(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)cc1[N+](=O)[O-] ZINC000863033760 705853056 /nfs/dbraw/zinc/85/30/56/705853056.db2.gz MFORKNSZYOBRSN-ZDUSSCGKSA-N 1 0 318.377 1.924 20 5 DDBDRO C[N@H+](Cn1ncc2cc([N+](=O)[O-])ccc21)[C@H]1C[C@@H](C(N)=O)C1 ZINC000863321930 705901253 /nfs/dbraw/zinc/90/12/53/705901253.db2.gz ITSVMUWOIJSXHD-WVSHTKLVSA-N 1 0 303.322 1.098 20 5 DDBDRO C[C@H](CO[C@H]1CCOC1)[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877093685 705980806 /nfs/dbraw/zinc/98/08/06/705980806.db2.gz UTCMZLDCKYDHAP-NPZBDFSRSA-N 1 0 310.354 1.278 20 5 DDBDRO COc1cc([N+](=O)[O-])c(C(=O)N(C)C[C@H](C)[NH3+])cc1SC ZINC000877099544 705983135 /nfs/dbraw/zinc/98/31/35/705983135.db2.gz LSUHGXGWYUQVTG-QMMMGPOBSA-N 1 0 313.379 1.745 20 5 DDBDRO COc1cc(C(=O)N[C@@]23CCC[C@@H]2[NH2+]CC3)ccc1[N+](=O)[O-] ZINC000877400709 706096727 /nfs/dbraw/zinc/09/67/27/706096727.db2.gz YGBQOIQCNMPIKY-DZGCQCFKSA-N 1 0 305.334 1.618 20 5 DDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@H]3CCN(CC(F)F)C3)C2)c1 ZINC000877593864 706153325 /nfs/dbraw/zinc/15/33/25/706153325.db2.gz HSYVGVSRKFZXON-WHXUTIOJSA-N 1 0 315.324 1.424 20 5 DDBDRO CO[C@H](C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)[C@H]1CCOC1 ZINC000877620955 706162004 /nfs/dbraw/zinc/16/20/04/706162004.db2.gz OAQQEAMGHKPWLV-DLOFLVKXSA-N 1 0 310.354 1.136 20 5 DDBDRO C[C@@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)[C@@H](O)C(F)(F)F ZINC000877693121 706180909 /nfs/dbraw/zinc/18/09/09/706180909.db2.gz BTYRCMQSQZRJPI-NPDIDSPYSA-N 1 0 308.260 1.396 20 5 DDBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1C[C@H](CO)[C@H](CO)C1 ZINC000877764461 706201127 /nfs/dbraw/zinc/20/11/27/706201127.db2.gz CQVJCKFTLVUKMX-QDPHKQGLSA-N 1 0 306.362 1.531 20 5 DDBDRO C[NH+]1CCC(C)(CNC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000828812431 706236482 /nfs/dbraw/zinc/23/64/82/706236482.db2.gz ZMLYAFMPSWUUAH-CQSZACIVSA-N 1 0 321.377 1.476 20 5 DDBDRO CC(C)[C@@H](O)CC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000878251194 706338994 /nfs/dbraw/zinc/33/89/94/706338994.db2.gz HPDSOKAPRYAFNY-OCCSQVGLSA-N 1 0 308.382 1.883 20 5 DDBDRO CC(C)[N@@H+]1CCC[C@H](NC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000829539151 706353037 /nfs/dbraw/zinc/35/30/37/706353037.db2.gz MXOCGPIHAFEPJC-DZGCQCFKSA-N 1 0 321.377 1.617 20 5 DDBDRO COCCN(CC1CC[NH+](C)CC1)c1ccc([N+](=O)[O-])cn1 ZINC000865997040 706588878 /nfs/dbraw/zinc/58/88/78/706588878.db2.gz AYMKTOYGTUYGRO-UHFFFAOYSA-N 1 0 308.382 1.784 20 5 DDBDRO Cc1ccc(CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2CO)cc1[N+](=O)[O-] ZINC000880073588 706871524 /nfs/dbraw/zinc/87/15/24/706871524.db2.gz IUWJFGLFQFMORU-LSDHHAIUSA-N 1 0 305.378 1.544 20 5 DDBDRO O=C1CC2(CCC2)[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CCN1 ZINC000880171050 706900630 /nfs/dbraw/zinc/90/06/30/706900630.db2.gz TVPVFGFZKGUDCG-UHFFFAOYSA-N 1 0 319.361 1.718 20 5 DDBDRO COC(=O)[C@]12CCC[C@H]1C[N@H+](Cc1onc(C)c1[N+](=O)[O-])C2 ZINC000880329232 706942146 /nfs/dbraw/zinc/94/21/46/706942146.db2.gz MTRLUCSFKKIXDB-HZMBPMFUSA-N 1 0 309.322 1.666 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC=C[C@H]1CO ZINC000880489716 706992756 /nfs/dbraw/zinc/99/27/56/706992756.db2.gz HSWPUFANEYSJAF-ZDUSSCGKSA-N 1 0 305.334 1.465 20 5 DDBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@H]1C[C@@H]2COC[C@@H]2O1 ZINC000926945093 712921774 /nfs/dbraw/zinc/92/17/74/712921774.db2.gz SXWODINYEMKDHY-JDOCFBBISA-N 1 0 304.346 1.976 20 5 DDBDRO O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000834796760 707121142 /nfs/dbraw/zinc/12/11/42/707121142.db2.gz PAJFLTPDKWEDOQ-IUCAKERBSA-N 1 0 301.705 1.678 20 5 DDBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC1(CO)COC1 ZINC000872050860 707285737 /nfs/dbraw/zinc/28/57/37/707285737.db2.gz CZFSIZGZPHYZQG-SNVBAGLBSA-N 1 0 312.391 1.976 20 5 DDBDRO C[C@@H]([NH2+][C@@H]1CCc2nnn(C)c2C1)c1ccc([N+](=O)[O-])cc1 ZINC000927143510 712946719 /nfs/dbraw/zinc/94/67/19/712946719.db2.gz AFUALGVBOWCQLE-ZYHUDNBSSA-N 1 0 301.350 1.931 20 5 DDBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000882489178 707660288 /nfs/dbraw/zinc/66/02/88/707660288.db2.gz NRYBVLLZPIOUPU-CYBMUJFWSA-N 1 0 316.361 1.829 20 5 DDBDRO CCS(=O)(=O)CC[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873038969 707704053 /nfs/dbraw/zinc/70/40/53/707704053.db2.gz XIGYCCQUZZYHIV-UHFFFAOYSA-N 1 0 300.380 1.736 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H](C)CS(C)(=O)=O ZINC000873050577 707709680 /nfs/dbraw/zinc/70/96/80/707709680.db2.gz XNYYSFIPLCTISV-SNVBAGLBSA-N 1 0 300.380 1.734 20 5 DDBDRO Cc1c(C[NH2+]C[C@@H](C)CN2CCOCC2)cccc1[N+](=O)[O-] ZINC000873056800 707712349 /nfs/dbraw/zinc/71/23/49/707712349.db2.gz KBCNLNJXDWMYLB-CYBMUJFWSA-N 1 0 307.394 1.961 20 5 DDBDRO Cn1ccnc1[C@@H](NC[C@H]1C[C@H]([NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC000873256458 707786776 /nfs/dbraw/zinc/78/67/76/707786776.db2.gz MUGHOABSVOTZIO-WHOFXGATSA-N 1 0 315.377 1.745 20 5 DDBDRO C[C@H]1CN(c2cc[nH]c(=O)c2[N+](=O)[O-])CCN1c1cc[nH+]cc1 ZINC000882820136 707808428 /nfs/dbraw/zinc/80/84/28/707808428.db2.gz GXEMOVBHKMXZDP-NSHDSACASA-N 1 0 315.333 1.806 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(F)c(F)cc3[N+](=O)[O-])C[C@@H]21 ZINC000839412162 708047029 /nfs/dbraw/zinc/04/70/29/708047029.db2.gz NCUGJJSTEIIIMI-OQPBUACISA-N 1 0 311.288 1.649 20 5 DDBDRO CC[N@@H+]1CC[C@H]1CNC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000883898311 708079322 /nfs/dbraw/zinc/07/93/22/708079322.db2.gz XDVUSYLYTFAYMS-AWEZNQCLSA-N 1 0 320.393 1.873 20 5 DDBDRO CC[N@@H+]1CCC[C@H]1CNC(=S)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000884004342 708098521 /nfs/dbraw/zinc/09/85/21/708098521.db2.gz SZJNDARHAXPXCX-NSHDSACASA-N 1 0 323.422 1.948 20 5 DDBDRO CN(CC[N@H+](C)CCO)C(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000912603854 713044246 /nfs/dbraw/zinc/04/42/46/713044246.db2.gz ORZJJTFVYFPRMC-UHFFFAOYSA-N 1 0 315.757 1.244 20 5 DDBDRO C[C@@H]1COCC[N@@H+]1C1CCN(Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886212843 708716215 /nfs/dbraw/zinc/71/62/15/708716215.db2.gz GWRMCJKZERTTKF-CYBMUJFWSA-N 1 0 320.393 1.675 20 5 DDBDRO CNc1c(C(=O)N2CC([NH+]3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000898606553 708808311 /nfs/dbraw/zinc/80/83/11/708808311.db2.gz WYKMEPVVMGHEFX-UHFFFAOYSA-N 1 0 304.350 1.557 20 5 DDBDRO COC[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CCCOC1 ZINC000886913861 708892982 /nfs/dbraw/zinc/89/29/82/708892982.db2.gz LLMLNQUHGKBYTE-CWRNSKLLSA-N 1 0 324.377 1.659 20 5 DDBDRO C[C@@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000912813476 713098660 /nfs/dbraw/zinc/09/86/60/713098660.db2.gz KOQGYJVXSIIJNE-QWHCGFSZSA-N 1 0 323.397 1.370 20 5 DDBDRO CCC[NH+]1CCN(Cc2ccc(O)c(OC)c2[N+](=O)[O-])CC1 ZINC000891438973 710201433 /nfs/dbraw/zinc/20/14/33/710201433.db2.gz XHJAXLJWJIAUEG-UHFFFAOYSA-N 1 0 309.366 1.837 20 5 DDBDRO Cc1ccc([C@@H](C)NC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)cc1[N+](=O)[O-] ZINC000891651195 710257102 /nfs/dbraw/zinc/25/71/02/710257102.db2.gz XQUYSDBTWACNJP-WXHSDQCUSA-N 1 0 304.350 1.720 20 5 DDBDRO CC[N@@H+]1CCN(Cc2ccc(O)c(OC)c2[N+](=O)[O-])C[C@@H]1C ZINC000891993969 710348896 /nfs/dbraw/zinc/34/88/96/710348896.db2.gz XSTLUYDQYPHEJK-NSHDSACASA-N 1 0 309.366 1.835 20 5 DDBDRO C[N@H+]1C[C@H]2CN(C(=O)NCc3cccc([N+](=O)[O-])c3)C[C@H]2C1 ZINC000892417502 710434086 /nfs/dbraw/zinc/43/40/86/710434086.db2.gz DMUWNEBBPSAKRJ-BETUJISGSA-N 1 0 304.350 1.298 20 5 DDBDRO COc1c(O)ccc(C[N@@H+]2CCC[C@@H]([C@@H](C)O)C2)c1[N+](=O)[O-] ZINC000893418025 710644492 /nfs/dbraw/zinc/64/44/92/710644492.db2.gz NZBVVBPIHICVAZ-GHMZBOCLSA-N 1 0 310.350 1.902 20 5 DDBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1C[NH2+]CC1(C)C ZINC000902446350 710756541 /nfs/dbraw/zinc/75/65/41/710756541.db2.gz OGVQTRVYHKYBEY-SMDDNHRTSA-N 1 0 320.393 1.900 20 5 DDBDRO COc1cc([C@H](C)[NH2+]C[C@]2(O)CCO[C@H]2C)cc([N+](=O)[O-])c1 ZINC000903160219 711051538 /nfs/dbraw/zinc/05/15/38/711051538.db2.gz VHPRNXRANOVTIK-ZIBATOQPSA-N 1 0 310.350 1.794 20 5 DDBDRO COc1cc([C@@H](C)[NH2+][C@@H]2CCN(C(C)=O)C2)cc([N+](=O)[O-])c1 ZINC000903207105 711064644 /nfs/dbraw/zinc/06/46/44/711064644.db2.gz VJFPJZCVBUZOAW-ZWNOBZJWSA-N 1 0 307.350 1.875 20 5 DDBDRO C[C@]1(NC(=O)CNc2ccccc2[N+](=O)[O-])C[NH+]2CCC1CC2 ZINC000912381235 711302887 /nfs/dbraw/zinc/30/28/87/711302887.db2.gz XQWUWLQUJZKDCJ-INIZCTEOSA-N 1 0 318.377 1.607 20 5 DDBDRO CN1CCN(c2ccc3cnccc3c2[N+](=O)[O-])C[C@@H]1CO ZINC000894881680 711307210 /nfs/dbraw/zinc/30/72/10/711307210.db2.gz OTSUZLLBFPBHOR-GFCCVEGCSA-N 1 0 302.334 1.256 20 5 DDBDRO O=C(CCN1CCC[C@@]12CC[NH2+]C2)Nc1ccccc1[N+](=O)[O-] ZINC000903864058 711307735 /nfs/dbraw/zinc/30/77/35/711307735.db2.gz GQLQSAGYQHZJJV-INIZCTEOSA-N 1 0 318.377 1.751 20 5 DDBDRO COC[C@H]1C[NH2+]CCN1Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000903876896 711313424 /nfs/dbraw/zinc/31/34/24/711313424.db2.gz OWQRBLYWHDPTQN-OAHLLOKOSA-N 1 0 323.393 1.802 20 5 DDBDRO [NH3+][C@@H](CC(F)F)CN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000903879716 711314839 /nfs/dbraw/zinc/31/48/39/711314839.db2.gz HZQJPDFZQFMTRZ-JTQLQIEISA-N 1 0 315.324 1.094 20 5 DDBDRO C[C@H](CNC(=O)NC[C@H](C)[NH+](C)C)c1ccccc1[N+](=O)[O-] ZINC000895205735 711453214 /nfs/dbraw/zinc/45/32/14/711453214.db2.gz TWEBNXKJDQJXOX-NEPJUHHUSA-N 1 0 308.382 1.948 20 5 DDBDRO O=c1[nH]ccc(N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)c1[N+](=O)[O-] ZINC000895570434 711545458 /nfs/dbraw/zinc/54/54/58/711545458.db2.gz SYKVXOBFCDZVIF-KOLCDFICSA-N 1 0 310.379 1.687 20 5 DDBDRO CC(C)(C)[N@@H+]1CC[C@H]1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000896282428 711700539 /nfs/dbraw/zinc/70/05/39/711700539.db2.gz NLZLSFFHEUXVDV-AWEZNQCLSA-N 1 0 321.377 1.963 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H]2C[C@H]2c2nc(N3CC[NH2+]CC3)no2)c1 ZINC000904740939 711888502 /nfs/dbraw/zinc/88/85/02/711888502.db2.gz QNVCUTAYSAYFCN-QWHCGFSZSA-N 1 0 315.333 1.659 20 5 DDBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H](O)CC2(CO)CCCC2)c1 ZINC000905065875 711925942 /nfs/dbraw/zinc/92/59/42/711925942.db2.gz MJKZIAVHWLRDJO-HNNXBMFYSA-N 1 0 308.378 1.988 20 5 DDBDRO CCN1CCC[C@@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1=O ZINC000905551887 712074940 /nfs/dbraw/zinc/07/49/40/712074940.db2.gz OBKMEDASBIVXFO-ZIAGYGMSSA-N 1 0 307.350 1.229 20 5 DDBDRO CC1(C)C[C@@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCS1 ZINC000905662447 712110417 /nfs/dbraw/zinc/11/04/17/712110417.db2.gz JNMHYRZBIMIJBJ-JQWIXIFHSA-N 1 0 314.411 1.416 20 5 DDBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000908052256 712672218 /nfs/dbraw/zinc/67/22/18/712672218.db2.gz CAOPPTACMUFTSA-GDBMZVCRSA-N 1 0 321.377 1.051 20 5 DDBDRO Cc1n[nH]c(C(=O)N2[C@@H](C)CCC[C@H]2CC[NH+](C)C)c1[N+](=O)[O-] ZINC000914444058 713396194 /nfs/dbraw/zinc/39/61/94/713396194.db2.gz OVIGKETXHXVVDD-JQWIXIFHSA-N 1 0 323.397 1.961 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C[C@@H](O)c2ccco2)c1 ZINC000915223425 713413525 /nfs/dbraw/zinc/41/35/25/713413525.db2.gz JIVUAODLYVAKII-GXTWGEPZSA-N 1 0 322.317 1.251 20 5 DDBDRO C[NH+](C)[C@@H](CNC(=O)Cn1ccnc1[N+](=O)[O-])c1ccccc1 ZINC000918342121 713538137 /nfs/dbraw/zinc/53/81/37/713538137.db2.gz BCQXTDQCMZJMAQ-ZDUSSCGKSA-N 1 0 317.349 1.210 20 5 DDBDRO O=[N+]([O-])CCN1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000929268684 713579383 /nfs/dbraw/zinc/57/93/83/713579383.db2.gz HAAMKFLDXJYZHD-UHFFFAOYSA-N 1 0 300.362 1.629 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)NCCC[N@H+]1CCCC[C@H]1C ZINC000929399842 713603999 /nfs/dbraw/zinc/60/39/99/713603999.db2.gz VVSCVUFZJXBRLW-GFCCVEGCSA-N 1 0 323.397 1.480 20 5 DDBDRO CC(C)(C)OC(=O)N1CCC[C@]2(CC[N@H+](CC[N+](=O)[O-])C2)C1 ZINC000930360681 713813980 /nfs/dbraw/zinc/81/39/80/713813980.db2.gz NMXZULWMOWPGGL-OAHLLOKOSA-N 1 0 313.398 1.986 20 5 DDBDRO C[N@H+]1C[C@H]2CN(C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)C[C@H]2C1 ZINC000931609000 714137803 /nfs/dbraw/zinc/13/78/03/714137803.db2.gz ALHDKJCWHHIUOY-AOOOYVTPSA-N 1 0 308.313 1.759 20 5 DDBDRO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CC[C@H](C4OCCO4)C3)nc2c1 ZINC000932005439 714231608 /nfs/dbraw/zinc/23/16/08/714231608.db2.gz RMOASYLIGZYUAN-JTQLQIEISA-N 1 0 319.317 1.931 20 5 DDBDRO CCCN(C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CC[NH2+]C1 ZINC000923287724 714298117 /nfs/dbraw/zinc/29/81/17/714298117.db2.gz VYEPHGZWBAPTHU-CABCVRRESA-N 1 0 323.393 1.408 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000923312377 714307530 /nfs/dbraw/zinc/30/75/30/714307530.db2.gz HQXLETDBNRQTPW-DZGCQCFKSA-N 1 0 303.362 1.832 20 5 DDBDRO [NH3+]CC[C@@H]1Cc2ccccc2N(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000923545067 714396013 /nfs/dbraw/zinc/39/60/13/714396013.db2.gz UMMLNGJVRFMRKE-CYBMUJFWSA-N 1 0 315.377 1.819 20 5 DDBDRO [NH3+]CC[C@@H]1Cc2ccccc2N(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000923545062 714396188 /nfs/dbraw/zinc/39/61/88/714396188.db2.gz OEUOLTMXZIMGJQ-CYBMUJFWSA-N 1 0 315.377 1.819 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@@H]1CCOC12CCCC2 ZINC000934383432 714807145 /nfs/dbraw/zinc/80/71/45/714807145.db2.gz AFBXSDCMUDLDPT-CYBMUJFWSA-N 1 0 307.350 1.448 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H]2CCOC23CCOCC3)c1 ZINC000934401046 714811339 /nfs/dbraw/zinc/81/13/39/714811339.db2.gz VHINGASQCBWQQD-CABCVRRESA-N 1 0 322.361 1.556 20 5 DDBDRO C[N@@H+]1CC[C@H]1CNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000925424517 714852075 /nfs/dbraw/zinc/85/20/75/714852075.db2.gz MHRBUVQUWDHIDP-NSHDSACASA-N 1 0 306.366 1.833 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000934889906 714925137 /nfs/dbraw/zinc/92/51/37/714925137.db2.gz KUJIQDSEROSXDY-CHWSQXEVSA-N 1 0 321.381 1.042 20 5 DDBDRO C[N@@H+]1CCO[C@H]2CN(c3ncc([N+](=O)[O-])c4ccccc43)C[C@@H]21 ZINC001164668057 719389500 /nfs/dbraw/zinc/38/95/00/719389500.db2.gz PUMXRXNIQFDKDI-GJZGRUSLSA-N 1 0 314.345 1.662 20 5 DDBDRO C[N@@H+]1CCO[C@@H]2CN(c3ccc4c(cccc4[N+](=O)[O-])n3)C[C@H]21 ZINC001164666137 719391577 /nfs/dbraw/zinc/39/15/77/719391577.db2.gz JJVUPWXEAOJVJT-HUUCEWRRSA-N 1 0 314.345 1.662 20 5 DDBDRO C[NH+](C)[C@H]1CCCN(c2c(Cl)[n+]([O-])ccc2[N+](=O)[O-])C1 ZINC001165039658 721892131 /nfs/dbraw/zinc/89/21/31/721892131.db2.gz PBHDTIJSSOLZOE-VIFPVBQESA-N 1 0 300.746 1.412 20 5 DDBDRO C[NH2+]Cc1c(C)nn(-c2nccc(C(=O)OC)c2[N+](=O)[O-])c1C ZINC001167098910 732608450 /nfs/dbraw/zinc/60/84/50/732608450.db2.gz HMQIRRUASPXLGH-UHFFFAOYSA-N 1 0 319.321 1.298 20 5 DDBDRO CCN(CCNC(=O)C[NH+](CC)CC)c1ccc([N+](=O)[O-])cn1 ZINC001100543199 734493201 /nfs/dbraw/zinc/49/32/01/734493201.db2.gz VIQJRBIDUTWCPL-UHFFFAOYSA-N 1 0 323.397 1.274 20 5 DDBDRO Cn1c(CCC[N+](=O)[O-])nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001121289383 782442374 /nfs/dbraw/zinc/44/23/74/782442374.db2.gz MGDXYVNLBCHYRO-ZDUSSCGKSA-N 1 0 322.413 1.089 20 5 DDBDRO CC(C)(C)[NH2+]CCC(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001125859191 736807162 /nfs/dbraw/zinc/80/71/62/736807162.db2.gz NUYWRUCHTCPDQL-UHFFFAOYSA-N 1 0 323.349 1.855 20 5 DDBDRO COC(=O)[C@@H](CCC[NH3+])Nc1cc2cccnc2c([N+](=O)[O-])c1 ZINC001167900008 739214889 /nfs/dbraw/zinc/21/48/89/739214889.db2.gz WRNRRDSRDSERIM-GFCCVEGCSA-N 1 0 318.333 1.835 20 5 DDBDRO O=C(NCC[NH2+]Cc1cccc(C(F)F)c1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126936963 742845017 /nfs/dbraw/zinc/84/50/17/742845017.db2.gz YWDQVFOAYFKMGK-VXGBXAGGSA-N 1 0 313.304 1.495 20 5 DDBDRO O=[N+]([O-])c1ccc(CC[NH+]2CCC(Cc3nn[nH]n3)CC2)cc1 ZINC001197440025 747164832 /nfs/dbraw/zinc/16/48/32/747164832.db2.gz URSSERRSOYEPNG-UHFFFAOYSA-N 1 0 316.365 1.605 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@@H](c2cnccn2)C1 ZINC001198157594 747394246 /nfs/dbraw/zinc/39/42/46/747394246.db2.gz RFDOBYVIVPMCQA-GFCCVEGCSA-N 1 0 315.333 1.036 20 5 DDBDRO Cc1cc(C[NH2+]C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cs1 ZINC000996429327 749587979 /nfs/dbraw/zinc/58/79/79/749587979.db2.gz PRHYJHXTLVYVJX-ZIAGYGMSSA-N 1 0 323.418 1.802 20 5 DDBDRO C[NH+](C)CCC(=O)NC/C=C/CNc1ccc([N+](=O)[O-])cn1 ZINC001107489742 750045795 /nfs/dbraw/zinc/04/57/95/750045795.db2.gz IHMZKYACDYFWJM-ONEGZZNKSA-N 1 0 307.354 1.026 20 5 DDBDRO Cc1cc([N+](=O)[O-])cnc1NC/C=C/CNC(=O)CC[NH+](C)C ZINC001107490272 750046202 /nfs/dbraw/zinc/04/62/02/750046202.db2.gz YCLKPEKDMJSQRV-SNAWJCMRSA-N 1 0 321.381 1.334 20 5 DDBDRO [NH3+]CCc1cnn(-c2nc(C3CC3)nc(Cl)c2[N+](=O)[O-])c1 ZINC001168947752 762137454 /nfs/dbraw/zinc/13/74/54/762137454.db2.gz BNVHBDUBDIZVDU-UHFFFAOYSA-N 1 0 308.729 1.603 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2ncc(Br)cn2)C1 ZINC001168979935 762148029 /nfs/dbraw/zinc/14/80/29/762148029.db2.gz CHVUXHMQJTWHHQ-PSASIEDQSA-N 1 0 315.171 1.774 20 5 DDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]C2CCN(c3ncccn3)CC2)C1 ZINC001168965806 762157709 /nfs/dbraw/zinc/15/77/09/762157709.db2.gz CNYLBCGBUAOOOA-GXTWGEPZSA-N 1 0 305.382 1.480 20 5 DDBDRO O=C1C=CC(=O)N1CCCCCC[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168968810 762158513 /nfs/dbraw/zinc/15/85/13/762158513.db2.gz ALEFIDPNMUIJFP-KBPBESRZSA-N 1 0 323.393 1.507 20 5 DDBDRO COCc1cccc([C@H](CO)[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001169004467 762173624 /nfs/dbraw/zinc/17/36/24/762173624.db2.gz QZVYKYQKPCUTNF-RCBQFDQVSA-N 1 0 308.378 1.901 20 5 DDBDRO COC(=O)c1ccc([C@H](CO)[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)cc1 ZINC001169000984 762171842 /nfs/dbraw/zinc/17/18/42/762171842.db2.gz CALSWXYRSDKJQU-CQDKDKBSSA-N 1 0 322.361 1.542 20 5 DDBDRO Cc1cccc(N2CC[NH+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)n1 ZINC001169006709 762174844 /nfs/dbraw/zinc/17/48/44/762174844.db2.gz IZPVCCHTAXJZHB-HUUCEWRRSA-N 1 0 304.394 1.957 20 5 DDBDRO Cc1cc(N2CC[NH+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)nc(C)n1 ZINC001169027853 762184638 /nfs/dbraw/zinc/18/46/38/762184638.db2.gz RDYVFLNCCWAYPI-HUUCEWRRSA-N 1 0 319.409 1.661 20 5 DDBDRO O=C(C1CCC1)N1CCC[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169028401 762185291 /nfs/dbraw/zinc/18/52/91/762185291.db2.gz RXQPQMCMDXHHPY-ZFWWWQNUSA-N 1 0 309.410 1.766 20 5 DDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CCN(CCc3ccncc3)CC2)C1 ZINC001169030243 762186265 /nfs/dbraw/zinc/18/62/65/762186265.db2.gz XHQLMKDKPBVSFI-DLBZAZTESA-N 1 0 318.421 1.687 20 5 DDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2C[C@@H](OCC3CC3)[C@H]3COC[C@H]32)C1 ZINC001169030131 762186685 /nfs/dbraw/zinc/18/66/85/762186685.db2.gz WUHQBOWUUZHXRJ-RFBLXINOSA-N 1 0 310.394 1.558 20 5 DDBDRO CCc1ncnc2c1CC[N@@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169022089 762200531 /nfs/dbraw/zinc/20/05/31/762200531.db2.gz MUIQWQQEPFJXOS-STQMWFEESA-N 1 0 304.394 1.885 20 5 DDBDRO CN(C)C(=O)[C@@H]1CC12CC[NH+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169026425 762203363 /nfs/dbraw/zinc/20/33/63/762203363.db2.gz WXKFBISZKCXFMS-IHRRRGAJSA-N 1 0 309.410 1.622 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCN(c3ncccc3F)CC2)C1 ZINC001169056891 762210815 /nfs/dbraw/zinc/21/08/15/762210815.db2.gz UBZKGSNXPBLPRB-CHWSQXEVSA-N 1 0 308.357 1.788 20 5 DDBDRO C[C@H]([NH3+])c1ccn(-c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])n1 ZINC001169236838 762300976 /nfs/dbraw/zinc/30/09/76/762300976.db2.gz HXVVESGTWCQGDZ-QMMMGPOBSA-N 1 0 310.335 1.204 20 5 DDBDRO O=[N+]([O-])c1ccc(C(F)(F)N2C[C@H]3C[NH2+][C@@H]3C2)nc1Cl ZINC001165195293 756920351 /nfs/dbraw/zinc/92/03/51/756920351.db2.gz WVECEQISUIQWMY-RNFRBKRXSA-N 1 0 304.684 1.596 20 5 DDBDRO Nc1c(C(=O)N2CC[C@@H]([NH+]3CCC3)C2)cc(F)cc1[N+](=O)[O-] ZINC000826552413 759289978 /nfs/dbraw/zinc/28/99/78/759289978.db2.gz OJAONAHINTWMJS-SNVBAGLBSA-N 1 0 308.313 1.236 20 5 DDBDRO COC(=O)Cc1ccc(N[C@@H](C)[C@H]2C[NH2+]CCO2)cc1[N+](=O)[O-] ZINC001170569578 768182839 /nfs/dbraw/zinc/18/28/39/768182839.db2.gz JVDCMZVOQCMDKM-IINYFYTJSA-N 1 0 323.349 1.099 20 5 DDBDRO [NH3+]CCc1ccn(-c2nc(Cl)nc(Cl)c2[N+](=O)[O-])n1 ZINC001156898238 764048847 /nfs/dbraw/zinc/04/88/47/764048847.db2.gz GPSQBVCTHYFVCP-UHFFFAOYSA-N 1 0 303.109 1.379 20 5 DDBDRO CCOC(=O)c1cc(N[C@H](C)[C@@H]2C[NH2+]CCO2)ccc1[N+](=O)[O-] ZINC001170574709 768225559 /nfs/dbraw/zinc/22/55/59/768225559.db2.gz NYVKHNDMPGVFKD-YGRLFVJLSA-N 1 0 323.349 1.560 20 5 DDBDRO C[C@H](Nc1ccc([N+](=O)[O-])c2c1CCN(C)C2)[C@H]1C[NH2+]CCO1 ZINC001170577368 768264204 /nfs/dbraw/zinc/26/42/04/768264204.db2.gz ZFFNTXJYUKMEBX-MEDUHNTESA-N 1 0 320.393 1.372 20 5 DDBDRO COc1ccc(C[C@H](C)[NH2+]C[C@H]2CN(C)CCO2)c([N+](=O)[O-])c1 ZINC001170299128 766227350 /nfs/dbraw/zinc/22/73/50/766227350.db2.gz QODUQCUBKZGMGE-WFASDCNBSA-N 1 0 323.393 1.455 20 5 DDBDRO COc1ccc(C[C@H](C)[NH2+]C[C@H]2CCC(=O)N2C)c([N+](=O)[O-])c1 ZINC001170305641 766231115 /nfs/dbraw/zinc/23/11/15/766231115.db2.gz OKTDMJJSZOABSQ-WCQYABFASA-N 1 0 321.377 1.745 20 5 DDBDRO Cc1cnc(NC[C@H]2O[C@@H](C(C)C)O[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC001170278570 766233534 /nfs/dbraw/zinc/23/35/34/766233534.db2.gz YAAHGWZRTPKZCT-BZPMIXESSA-N 1 0 310.354 1.435 20 5 DDBDRO COc1ccc(C[C@@H](C)[NH2+]CC(=O)NC2CCC2)c([N+](=O)[O-])c1 ZINC001170318165 766248712 /nfs/dbraw/zinc/24/87/12/766248712.db2.gz NPRZSZUUZLNFNY-LLVKDONJSA-N 1 0 321.377 1.793 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N1CCC[C@@](C)(C[NH3+])C1 ZINC001158674906 769007560 /nfs/dbraw/zinc/00/75/60/769007560.db2.gz DZVQGLZILGINMS-AWEZNQCLSA-N 1 0 308.338 1.342 20 5 DDBDRO CC(C)(O)C[NH+]1CCN(Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000216756391 770601168 /nfs/dbraw/zinc/60/11/68/770601168.db2.gz NYTZLNVUKUIMIF-UHFFFAOYSA-N 1 0 311.357 1.622 20 5 DDBDRO Nc1ncc(C(=O)N2CCC[C@H]2C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC001136459786 771974278 /nfs/dbraw/zinc/97/42/78/771974278.db2.gz HGPVOKCDTACSRF-LBPRGKRZSA-N 1 0 319.365 1.272 20 5 DDBDRO CCn1cnc(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])c1 ZINC001148033550 773340042 /nfs/dbraw/zinc/34/00/42/773340042.db2.gz VDRZOVVMAOLZHS-UHFFFAOYSA-N 1 0 317.349 1.331 20 5 DDBDRO CCc1cc(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)no1 ZINC001148321500 773435504 /nfs/dbraw/zinc/43/55/04/773435504.db2.gz CLUIVVLTHJFYAY-UHFFFAOYSA-N 1 0 318.333 1.665 20 5 DDBDRO Cc1c[n+]([O-])c(N2c3ccccc3OC[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC001171390058 774339918 /nfs/dbraw/zinc/33/99/18/774339918.db2.gz RGUQVQGGIHPDMX-NSHDSACASA-N 1 0 316.317 1.394 20 5 DDBDRO O=C(NCCNc1ncccc1[N+](=O)[O-])C12CCC[NH+]1CCC2 ZINC001094248069 775585288 /nfs/dbraw/zinc/58/52/88/775585288.db2.gz SJNXMCHGSFLREH-UHFFFAOYSA-N 1 0 319.365 1.146 20 5 DDBDRO CCC[N@H+](C)CC(=O)NCCCNc1ncc(C)cc1[N+](=O)[O-] ZINC001094517532 775975655 /nfs/dbraw/zinc/97/56/55/775975655.db2.gz WGIOONFKMSZCCQ-UHFFFAOYSA-N 1 0 323.397 1.558 20 5 DDBDRO CCCN(CCNC(=O)CC[NH+](C)C)c1ccccc1[N+](=O)[O-] ZINC001101228813 776999306 /nfs/dbraw/zinc/99/93/06/776999306.db2.gz ULZXFBGSQIFARU-UHFFFAOYSA-N 1 0 322.409 1.879 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]C[C@H](C)CO)c1F ZINC001173179177 777034041 /nfs/dbraw/zinc/03/40/41/777034041.db2.gz NUDVNRCREMOBKS-VHSXEESVSA-N 1 0 300.330 1.892 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CC(=O)N(C)C)c1F ZINC001173174889 777034225 /nfs/dbraw/zinc/03/42/25/777034225.db2.gz FHLBOJBMVXLYCV-SECBINFHSA-N 1 0 313.329 1.351 20 5 DDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@](C)(CO)[C@H](O)C1 ZINC001173223394 777056945 /nfs/dbraw/zinc/05/69/45/777056945.db2.gz ZNSRRHMZRJZCMO-WQVCFCJDSA-N 1 0 308.378 1.591 20 5 DDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCOC[C@@H]1C[NH+](C)C ZINC001173232735 777063454 /nfs/dbraw/zinc/06/34/54/777063454.db2.gz HMNCWWJMLWJSSH-BBRMVZONSA-N 1 0 307.394 1.788 20 5 DDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N(CC[NH3+])c1ncccn1 ZINC001173212508 777067098 /nfs/dbraw/zinc/06/70/98/777067098.db2.gz ALNAXARDYSGNKG-GFCCVEGCSA-N 1 0 301.350 1.781 20 5 DDBDRO CCC1(CC)CNC(=O)[C@H]1[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001176454029 778153353 /nfs/dbraw/zinc/15/33/53/778153353.db2.gz YETDAIOOQVMTAE-ZIAGYGMSSA-N 1 0 321.377 1.523 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[NH+]2CCC1CC2 ZINC001179894609 779520608 /nfs/dbraw/zinc/52/06/08/779520608.db2.gz PVTKEHARJGKOME-LBPRGKRZSA-N 1 0 304.350 1.370 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@@H](NC(=O)CCC2CC2)C1 ZINC001266676280 836645858 /nfs/dbraw/zinc/64/58/58/836645858.db2.gz FWLNGPMYRRHILU-TXEJJXNPSA-N 1 0 321.381 1.255 20 5 DDBDRO CN(CC[NH2+]Cc1c([N+](=O)[O-])ncn1C)C(=O)CCC1(C)CC1 ZINC001266945322 837094044 /nfs/dbraw/zinc/09/40/44/837094044.db2.gz FSEHCRLUORZDAR-UHFFFAOYSA-N 1 0 323.397 1.457 20 5 DDBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001326482967 861400946 /nfs/dbraw/zinc/40/09/46/861400946.db2.gz RPNNPAOIBDOEBH-DFBGVHRSSA-N 1 0 321.377 1.427 20 5 DDBDRO O=[N+]([O-])c1ccc(C(F)(F)NC[C@@H]2C[C@H](F)C[NH2+]2)nc1Cl ZINC001155033696 861663124 /nfs/dbraw/zinc/66/31/24/861663124.db2.gz MPLBBKJWJASXOH-BQBZGAKWSA-N 1 0 324.690 1.982 20 5 DDBDRO COc1ncnc(-n2c3ccccc3nc2[C@@H](C)[NH3+])c1[N+](=O)[O-] ZINC001155254740 861896608 /nfs/dbraw/zinc/89/66/08/861896608.db2.gz NZEQMNQBAZNDOS-MRVPVSSYSA-N 1 0 314.305 1.752 20 5 DDBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N[C@@]23CCC[C@@H]2[NH2+]CC3)n1 ZINC001155408845 862054031 /nfs/dbraw/zinc/05/40/31/862054031.db2.gz CJHUZLZFKWQTMX-IINYFYTJSA-N 1 0 320.353 1.348 20 5 DDBDRO O=[N+]([O-])c1cc(Cl)cc(NC[C@H]2OC[C@H]3C[NH2+]CC[C@H]32)n1 ZINC001155522358 862186630 /nfs/dbraw/zinc/18/66/30/862186630.db2.gz GJXBGRDMCFNILP-FBIMIBRVSA-N 1 0 312.757 1.680 20 5 DDBDRO O=[N+]([O-])c1cc(NC[C@H]2OC[C@H]3C[NH2+]CC[C@H]32)nc2[nH]ccc21 ZINC001155527876 862195999 /nfs/dbraw/zinc/19/59/99/862195999.db2.gz SFTUKLYTQRZHQE-GIPNMCIBSA-N 1 0 317.349 1.508 20 5 DDBDRO O=[N+]([O-])c1cc(NC[C@@H]2OC[C@H]3C[NH2+]CC[C@H]32)nc2[nH]ccc21 ZINC001155527875 862196070 /nfs/dbraw/zinc/19/60/70/862196070.db2.gz SFTUKLYTQRZHQE-BREBYQMCSA-N 1 0 317.349 1.508 20 5 DDBDRO O=[N+]([O-])c1cccc2nc(NC[C@@]34C[NH2+][C@@H](CO3)C4)ccc21 ZINC001155541306 862206389 /nfs/dbraw/zinc/20/63/89/862206389.db2.gz DDRLDCZUUAYYDO-MEBBXXQBSA-N 1 0 300.318 1.686 20 5 DDBDRO Cc1cc(NC[C@@]23C[NH2+][C@@H](CO2)C3)nc2ccc([N+](=O)[O-])cc12 ZINC001155541553 862208205 /nfs/dbraw/zinc/20/82/05/862208205.db2.gz JAJDJERQZQJZDU-BDJLRTHQSA-N 1 0 314.345 1.994 20 5 DDBDRO O=[N+]([O-])c1c(Cl)nc(Cl)nc1NC[C@@]12C[NH2+][C@@H](CO1)C2 ZINC001155541880 862208879 /nfs/dbraw/zinc/20/88/79/862208879.db2.gz UNYVEFVKAVVHLS-GPXNAGAYSA-N 1 0 320.136 1.234 20 5 DDBDRO COc1cnc(N[C@@H]2CCO[C@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC001155624001 862308720 /nfs/dbraw/zinc/30/87/20/862308720.db2.gz UTKPXDCTTHWXPF-QMTHXVAHSA-N 1 0 308.338 1.321 20 5 DDBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N[C@H]1C[NH+]2CCC1CC2 ZINC001155667647 862360718 /nfs/dbraw/zinc/36/07/18/862360718.db2.gz LGEBEEPVIFKJSS-ZDUSSCGKSA-N 1 0 320.349 1.673 20 5 DDBDRO O=C(NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cscn1 ZINC001155684297 862375926 /nfs/dbraw/zinc/37/59/26/862375926.db2.gz QOYYCBCQVKFKPX-UHFFFAOYSA-N 1 0 320.374 1.961 20 5 DDBDRO CSc1nc(Cl)nc(-n2nc(C[NH3+])cc2C)c1[N+](=O)[O-] ZINC001156039096 862660185 /nfs/dbraw/zinc/66/01/85/862660185.db2.gz MMUPWAKCUMVPMW-UHFFFAOYSA-N 1 0 314.758 1.713 20 5 DDBDRO C[N@@H+]1CC[C@@H]1CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001122030808 858667455 /nfs/dbraw/zinc/66/74/55/858667455.db2.gz GMAZHVWVUMSMRI-CQSZACIVSA-N 1 0 304.350 1.367 20 5 DDBDRO O=C(N[C@H]1COC2(C[NH2+]C2)C1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC001122142767 858696227 /nfs/dbraw/zinc/69/62/27/858696227.db2.gz ZUYJMJIBHWXOHY-SNVBAGLBSA-N 1 0 311.725 1.109 20 5 DDBDRO C[C@@H](CNC(=O)[C@H]1[C@@H]2CC[NH2+]C[C@@H]21)c1ccccc1[N+](=O)[O-] ZINC001122267053 858731173 /nfs/dbraw/zinc/73/11/73/858731173.db2.gz JMAZJVGZVDVIFY-QJZXMWHDSA-N 1 0 303.362 1.670 20 5 DDBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N[C@H]1C[NH2+]CC12CC2 ZINC001122587622 858900194 /nfs/dbraw/zinc/90/01/94/858900194.db2.gz LHDRKHZVGOBEPF-ZDUSSCGKSA-N 1 0 304.350 1.265 20 5 DDBDRO Cc1cnc(C(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)cn1 ZINC001122917894 859007407 /nfs/dbraw/zinc/00/74/07/859007407.db2.gz VTBUVLROIHASNC-UHFFFAOYSA-N 1 0 321.362 1.274 20 5 DDBDRO COc1cccc(OCCOC(=O)C[C@@H](O)C[N+](C)(C)C)c1 ZINC001224413681 881382612 /nfs/dbraw/zinc/38/26/12/881382612.db2.gz HQNBRXSBLRVWAZ-CYBMUJFWSA-N 1 0 312.386 1.074 20 5 DDBDRO O=C(NCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1cncs1 ZINC001124237972 859646522 /nfs/dbraw/zinc/64/65/22/859646522.db2.gz AZCQCMFSZOWHSI-UHFFFAOYSA-N 1 0 306.347 1.571 20 5 DDBDRO O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1ccnc(F)c1 ZINC001124519764 859729463 /nfs/dbraw/zinc/72/94/63/859729463.db2.gz DTZYISOLQPMXEI-UHFFFAOYSA-N 1 0 324.337 1.710 20 5 DDBDRO CC(C)(C)OC(=O)N1CC[C@H](OCC[N+](C)(C)C)CC1=O ZINC001224771444 881526515 /nfs/dbraw/zinc/52/65/15/881526515.db2.gz MOQRQTLVHQETDB-LBPRGKRZSA-N 1 0 301.407 1.635 20 5 DDBDRO N=C(NCCCC[NH3+])Nc1nc(Cl)nc(Cl)c1[N+](=O)[O-] ZINC001157093482 863568754 /nfs/dbraw/zinc/56/87/54/863568754.db2.gz CGLWSJABBIPRHS-UHFFFAOYSA-N 1 0 322.156 1.367 20 5 DDBDRO [NH3+]C[C@H](NC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)C(F)(F)F ZINC001329950154 863967727 /nfs/dbraw/zinc/96/77/27/863967727.db2.gz NTDNHHIRGWHJSW-JTQLQIEISA-N 1 0 318.255 1.510 20 5 DDBDRO Cc1c(C)c(N2CC([N@@H+](C)[C@H]3CCOC3)C2)ncc1[N+](=O)[O-] ZINC001158731763 864868698 /nfs/dbraw/zinc/86/86/98/864868698.db2.gz XVHIZNLWPLUEHA-LBPRGKRZSA-N 1 0 306.366 1.516 20 5 DDBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N(C)C(C)(C)C[NH3+])n1 ZINC001159050994 865074527 /nfs/dbraw/zinc/07/45/27/865074527.db2.gz AUWPAFOBKCWTBB-UHFFFAOYSA-N 1 0 305.791 1.934 20 5 DDBDRO Cc1ccnc(NC[C@H]2O[C@@H](C(C)C)O[C@@H]2C[NH3+])c1[N+](=O)[O-] ZINC001159237999 865178919 /nfs/dbraw/zinc/17/89/19/865178919.db2.gz GOHDHKIPJALFNX-GYSYKLTISA-N 1 0 310.354 1.435 20 5 DDBDRO Cc1ccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)c2ncccc12 ZINC001225473810 881857194 /nfs/dbraw/zinc/85/71/94/881857194.db2.gz MXHRXFPNHRHAMM-CYBMUJFWSA-N 1 0 303.382 1.906 20 5 DDBDRO COC[C@@]1(C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)CC[NH2+]C1 ZINC001331837114 865376130 /nfs/dbraw/zinc/37/61/30/865376130.db2.gz ZIRXUIDZEYBKKN-OAHLLOKOSA-N 1 0 305.334 1.063 20 5 DDBDRO CC(=O)O[C@@H]1C[C@@H]2C[C@H](Oc3ncccc3[N+](=O)[O-])C[C@H]1[N@@H+]2C ZINC001225598944 881932168 /nfs/dbraw/zinc/93/21/68/881932168.db2.gz ZIZGTCBQTXCPES-CDGCEXEKSA-N 1 0 321.333 1.535 20 5 DDBDRO COC(=O)c1ncc([N+](=O)[O-])c(C)c1NCCCC[NH+](C)C ZINC001161730914 866940547 /nfs/dbraw/zinc/94/05/47/866940547.db2.gz IZLIAARYQKDUBS-UHFFFAOYSA-N 1 0 310.354 1.839 20 5 DDBDRO C[C@@H](CN1CC[NH2+]CC1)Nc1ccc(N(C)C)cc1[N+](=O)[O-] ZINC001162098130 867251970 /nfs/dbraw/zinc/25/19/70/867251970.db2.gz GNTSHTZEHDBRCF-LBPRGKRZSA-N 1 0 307.398 1.366 20 5 DDBDRO COC(=O)c1ncc([N+](=O)[O-])c(C)c1N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC001162397618 867510117 /nfs/dbraw/zinc/51/01/17/867510117.db2.gz WZFABLRWSCXIQI-NXEZZACHSA-N 1 0 308.338 1.767 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@H]2C1 ZINC001334442969 867571279 /nfs/dbraw/zinc/57/12/79/867571279.db2.gz FLIROHJNFFACKP-SDDRHHMPSA-N 1 0 321.381 1.131 20 5 DDBDRO O=C(NCCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1cc(F)c[nH]1 ZINC001162724849 867769216 /nfs/dbraw/zinc/76/92/16/867769216.db2.gz UZVOHWHSGNBJKI-UHFFFAOYSA-N 1 0 320.324 1.972 20 5 DDBDRO O=[N+]([O-])c1cc[n+]([O-])c(NCc2ccc3c(c2)CC[NH2+]C3)c1F ZINC001162795499 867828655 /nfs/dbraw/zinc/82/86/55/867828655.db2.gz MMPFYIMPJDDRDH-UHFFFAOYSA-N 1 0 318.308 1.625 20 5 DDBDRO Cn1cc(NCc2ccc3c(c2)CC[NH2+]C3)cc([N+](=O)[O-])c1=O ZINC001162807215 867840916 /nfs/dbraw/zinc/84/09/16/867840916.db2.gz BEKQGGWWFZFJSA-UHFFFAOYSA-N 1 0 314.345 1.551 20 5 DDBDRO [NH3+][C@H]1COC[C@H]1Nc1nc2cc([N+](=O)[O-])ccc2nc1Cl ZINC001162917741 867917462 /nfs/dbraw/zinc/91/74/62/867917462.db2.gz VAEMFUSWEVGYLO-OIBJUYFYSA-N 1 0 309.713 1.329 20 5 DDBDRO O=[N+]([O-])c1cccnc1NC[C@H]1CCC2(CC[NH2+]CC2)CO1 ZINC001162966339 867954133 /nfs/dbraw/zinc/95/41/33/867954133.db2.gz ULTHHGWEINTLAF-GFCCVEGCSA-N 1 0 306.366 1.951 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])cc1N[C@H]1COCCC12C[NH2+]C2 ZINC001163072119 868053947 /nfs/dbraw/zinc/05/39/47/868053947.db2.gz HXSDJEZTMGCLBU-ZDUSSCGKSA-N 1 0 321.333 1.172 20 5 DDBDRO COc1cnc(NCC[C@@H]2CCOC23C[NH2+]C3)cc1[N+](=O)[O-] ZINC001163086435 868073381 /nfs/dbraw/zinc/07/33/81/868073381.db2.gz AZUJOXGOODBGDJ-SNVBAGLBSA-N 1 0 308.338 1.179 20 5 DDBDRO C[C@@H](C[N+](C)(C)C)Oc1nc(C(F)(F)F)ccc1C(N)=O ZINC001225996160 882153004 /nfs/dbraw/zinc/15/30/04/882153004.db2.gz LGDBJHREZOKEIQ-QMMMGPOBSA-O 1 0 306.308 1.673 20 5 DDBDRO O=[N+]([O-])c1cc(Cl)ncc1NCc1noc2c1C[NH2+]CC2 ZINC001163128813 868134319 /nfs/dbraw/zinc/13/43/19/868134319.db2.gz BXXGUTLQTLMBDS-UHFFFAOYSA-N 1 0 309.713 1.889 20 5 DDBDRO Cn1cc(N[C@@H]2C[NH2+]Cc3ccsc32)cc([N+](=O)[O-])c1=O ZINC001163226588 868233642 /nfs/dbraw/zinc/23/36/42/868233642.db2.gz JOZIOOPTLVVLBE-SNVBAGLBSA-N 1 0 306.347 1.611 20 5 DDBDRO O=C1C[C@H]2[NH2+]CC[C@]2(Nc2cc3cccnc3c([N+](=O)[O-])c2)N1 ZINC001163252771 868261847 /nfs/dbraw/zinc/26/18/47/868261847.db2.gz IQKSIYPMIMWCPN-DOMZBBRYSA-N 1 0 313.317 1.133 20 5 DDBDRO COc1cccc([C@H](C[NH3+])Nc2c(C)c([N+](=O)[O-])cc[n+]2[O-])c1 ZINC001163308823 868333556 /nfs/dbraw/zinc/33/35/56/868333556.db2.gz HJWFGKAHQXDYTH-ZDUSSCGKSA-N 1 0 318.333 1.657 20 5 DDBDRO Cc1nnc(C[NH3+])n1-c1cc([N+](=O)[O-])cc2c(Cl)ncnc21 ZINC001163353660 868387772 /nfs/dbraw/zinc/38/77/72/868387772.db2.gz LJHDFSYBNXBQOF-UHFFFAOYSA-N 1 0 319.712 1.539 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(NCC2([NH+](C)C)CCN(C)CC2)n1 ZINC001164206899 869014380 /nfs/dbraw/zinc/01/43/80/869014380.db2.gz JRLZWMCULWWWGG-UHFFFAOYSA-N 1 0 323.397 1.436 20 5 DDBDRO O=C(CNc1ccccc1[N+](=O)[O-])N[C@H]1C[NH+]2CCC1CC2 ZINC001336628742 869057867 /nfs/dbraw/zinc/05/78/67/869057867.db2.gz OECFSBDXOZROAL-ZDUSSCGKSA-N 1 0 304.350 1.217 20 5 DDBDRO O=c1[nH][nH]cc1CCCNc1cc2c(cc1[N+](=O)[O-])C[NH2+]C2 ZINC001164381961 869171008 /nfs/dbraw/zinc/17/10/08/869171008.db2.gz IQQOSMHTHOEANO-VIFPVBQESA-N 1 0 303.322 1.122 20 5 DDBDRO O=[N+]([O-])c1cccc2nc(N3CCOCC34C[NH2+]C4)ccc21 ZINC001165286917 869497058 /nfs/dbraw/zinc/49/70/58/869497058.db2.gz VZRWNGQDOBNUJX-UHFFFAOYSA-N 1 0 300.318 1.322 20 5 DDBDRO [NH3+]C1([C@H]2CN(c3nc(Cl)ncc3[N+](=O)[O-])C[C@H]2CF)CC1 ZINC001165426375 869590167 /nfs/dbraw/zinc/59/01/67/869590167.db2.gz BSRZKHMECLDGLX-SFYZADRCSA-N 1 0 315.736 1.551 20 5 DDBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1C[C@H](CF)[C@@H](C2([NH3+])CC2)C1 ZINC001165433602 869596449 /nfs/dbraw/zinc/59/64/49/869596449.db2.gz OOWROQRQYQEZFC-QWRGUYRKSA-N 1 0 310.329 1.050 20 5 DDBDRO COCc1nn(-c2ccc3[nH]cc([N+](=O)[O-])c3n2)c2c1C[NH2+]C2 ZINC001165632256 869660851 /nfs/dbraw/zinc/66/08/51/869660851.db2.gz BILJHZDOFRGETL-UHFFFAOYSA-N 1 0 314.305 1.406 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1N1C[C@]23C[N@H+](C)C[C@@]2(C1)CCCC3 ZINC001338199195 869864940 /nfs/dbraw/zinc/86/49/40/869864940.db2.gz DOWKHBPCDPCOSM-GASCZTMLSA-N 1 0 305.382 1.641 20 5 DDBDRO [NH3+][C@@H]1CN(c2ccc(-c3ccc(F)c([N+](=O)[O-])c3)nn2)C[C@@H]1F ZINC001166929544 870390260 /nfs/dbraw/zinc/39/02/60/870390260.db2.gz CBDOMKIETPXHRO-WDEREUQCSA-N 1 0 321.287 1.676 20 5 DDBDRO CC[N@@H+]1CC[C@H](Oc2cc(C(=O)OC)c([N+](=O)[O-])cc2OC)C1 ZINC001226441553 882434408 /nfs/dbraw/zinc/43/44/08/882434408.db2.gz RICWHBLAMLCOBC-JTQLQIEISA-N 1 0 324.333 1.863 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1nc2ccc(Cl)cc2o1 ZINC001226459089 882442244 /nfs/dbraw/zinc/44/22/44/882442244.db2.gz XVHOMVJTUYDHDE-SNVBAGLBSA-N 1 0 313.761 1.844 20 5 DDBDRO C[C@@H]1[C@@H](NC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC001303799180 871155560 /nfs/dbraw/zinc/15/55/60/871155560.db2.gz DHFCYMBXQYIYGB-SKDRFNHKSA-N 1 0 311.769 2.000 20 5 DDBDRO [NH3+]CC[C@@H]1CCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC001341125398 871515967 /nfs/dbraw/zinc/51/59/67/871515967.db2.gz XSTWDRREAUKWSH-SNVBAGLBSA-N 1 0 311.313 1.310 20 5 DDBDRO C[C@@H](CNC(=O)[C@]1(C)C[NH2+]CCO1)c1ccccc1[N+](=O)[O-] ZINC001341318398 871605484 /nfs/dbraw/zinc/60/54/84/871605484.db2.gz PAIGBYMEXKZDDL-NHYWBVRUSA-N 1 0 307.350 1.193 20 5 DDBDRO CCc1ccc(C[N@H+](CC)CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC001317479074 871607178 /nfs/dbraw/zinc/60/71/78/871607178.db2.gz AFBYCMCWMROMHE-HZPDHXFCSA-N 1 0 319.405 1.852 20 5 DDBDRO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@@H]3C[C@@H]4COC[C@@H]4O3)CC2)n1 ZINC001341394329 871641590 /nfs/dbraw/zinc/64/15/90/871641590.db2.gz YJMQSIAZUVZMGE-XBFCOCLRSA-N 1 0 322.365 1.232 20 5 DDBDRO C[C@H](CNC(=O)C[C@H]1C[NH2+]CCO1)c1ccccc1[N+](=O)[O-] ZINC001341429668 871656399 /nfs/dbraw/zinc/65/63/99/871656399.db2.gz VTKVVDGEOVRJBD-NEPJUHHUSA-N 1 0 307.350 1.193 20 5 DDBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C1 ZINC001318153619 871785213 /nfs/dbraw/zinc/78/52/13/871785213.db2.gz JYWCYJMYODYQNW-JTQLQIEISA-N 1 0 308.338 1.157 20 5 DDBDRO O=C([C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC001341799821 871830622 /nfs/dbraw/zinc/83/06/22/871830622.db2.gz WNUHSYYUKZMFFM-NGFQHRJXSA-N 1 0 301.346 1.519 20 5 DDBDRO COc1ccc(C[N@H+](C)CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC001316823661 871971341 /nfs/dbraw/zinc/97/13/41/871971341.db2.gz OODFAUYKXWWOGO-HUUCEWRRSA-N 1 0 321.377 1.299 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCC[C@H]1[NH+](C)C ZINC001318385892 871977141 /nfs/dbraw/zinc/97/71/41/871977141.db2.gz OSTGCFHGTKKKTL-ZIAGYGMSSA-N 1 0 306.366 1.901 20 5 DDBDRO Nc1cc(O[C@H]2CCN(c3ccc([N+](=O)[O-])cn3)C2)cc[nH+]1 ZINC001226653883 882568769 /nfs/dbraw/zinc/56/87/69/882568769.db2.gz RSFNSNUVBCJJFH-LBPRGKRZSA-N 1 0 301.306 1.625 20 5 DDBDRO O=C(N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001342186778 872057940 /nfs/dbraw/zinc/05/79/40/872057940.db2.gz HBQHYRFJYWFRFQ-HWKXDMQWSA-N 1 0 301.346 1.707 20 5 DDBDRO O=C(N[C@@H]1C[NH2+]CC12CC2)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC001342865651 872417914 /nfs/dbraw/zinc/41/79/14/872417914.db2.gz JKKIUGILMXUGGS-CQSZACIVSA-N 1 0 316.361 1.651 20 5 DDBDRO C[NH2+]C[C@H](O)[C@H](C)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC001343188401 872530061 /nfs/dbraw/zinc/53/00/61/872530061.db2.gz PYMCTCNQFWSMDO-WFASDCNBSA-N 1 0 323.393 1.548 20 5 DDBDRO O=C(N[C@@H]1COC2(C[NH2+]C2)C1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC001344000085 872831692 /nfs/dbraw/zinc/83/16/92/872831692.db2.gz NUTXDAIOLBRDJZ-VIFPVBQESA-N 1 0 311.725 1.109 20 5 DDBDRO C[NH+]1CCC(OCC(=O)OCCc2ccccc2[N+](=O)[O-])CC1 ZINC001344451709 873010800 /nfs/dbraw/zinc/01/08/00/873010800.db2.gz CHQWSBBMAASBDX-UHFFFAOYSA-N 1 0 322.361 1.791 20 5 DDBDRO Cc1n[nH]c(=O)c(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1C ZINC001345606878 873454162 /nfs/dbraw/zinc/45/41/62/873454162.db2.gz ROEOLFXFYGKWGP-CQSZACIVSA-N 1 0 318.333 1.530 20 5 DDBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001346686543 873849450 /nfs/dbraw/zinc/84/94/50/873849450.db2.gz SYDWPFWZTUCBCS-HZSPNIEDSA-N 1 0 318.377 1.672 20 5 DDBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC001349920776 875457238 /nfs/dbraw/zinc/45/72/38/875457238.db2.gz KODXTBOHCLHUTD-SNVBAGLBSA-N 1 0 308.338 1.819 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC001351177302 876100810 /nfs/dbraw/zinc/10/08/10/876100810.db2.gz PIRHQYMHAUDIHI-NWDGAFQWSA-N 1 0 323.397 1.479 20 5 DDBDRO [NH3+]C[C@@H](NC(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(F)(F)F ZINC000401715064 876672421 /nfs/dbraw/zinc/67/24/21/876672421.db2.gz AKOVKRHZMLSIET-MRVPVSSYSA-N 1 0 311.647 1.868 20 5 DDBDRO CCn1c(C[N+](=O)[O-])nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC001352440417 876747771 /nfs/dbraw/zinc/74/77/71/876747771.db2.gz NNSATLYYIYVNDI-UHFFFAOYSA-N 1 0 324.429 1.631 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCOCC2)cc1O[C@@H]1CCC[NH2+]C1 ZINC001218287747 877443831 /nfs/dbraw/zinc/44/38/31/877443831.db2.gz OWZWSFWTLFVXHF-CYBMUJFWSA-N 1 0 307.350 1.562 20 5 DDBDRO O=C(N[C@@H]1C[NH+]2CCC1CC2)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC001353787816 877563224 /nfs/dbraw/zinc/56/32/24/877563224.db2.gz ILFLHNMXSAWJTK-CYBMUJFWSA-N 1 0 314.345 1.900 20 5 DDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCC[N@H+](C)CCO ZINC001219043247 877885731 /nfs/dbraw/zinc/88/57/31/877885731.db2.gz HUNZVPZLULJHIA-UHFFFAOYSA-N 1 0 310.354 1.203 20 5 DDBDRO Cn1c2ccccc2c(N2CC([NH+](C)C)C2)c([N+](=O)[O-])c1=O ZINC001355263136 878481498 /nfs/dbraw/zinc/48/14/98/878481498.db2.gz ITHWDDUJNLNPLE-UHFFFAOYSA-N 1 0 302.334 1.197 20 5 DDBDRO CC[C@@H](C)[NH+]1CCN(c2nnc([C@@H](C)[N+](=O)[O-])n2CC)CC1 ZINC001356351800 879007560 /nfs/dbraw/zinc/00/75/60/879007560.db2.gz NBPRDZSMBHYZFT-VXGBXAGGSA-N 1 0 310.402 1.556 20 5 DDBDRO Cc1ccc2nc(COC(=O)C[C@@H](O)C[N+](C)(C)C)oc2c1 ZINC001222899361 880739071 /nfs/dbraw/zinc/73/90/71/880739071.db2.gz KKZJXYXWPLCUTO-GFCCVEGCSA-N 1 0 307.370 1.637 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cc2c(cc1F)CCC2=O ZINC001227755891 883159758 /nfs/dbraw/zinc/15/97/58/883159758.db2.gz SXLDUCMRXOTCCY-LLVKDONJSA-N 1 0 310.345 1.317 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc2cc(Cl)cnc2n1 ZINC001228385430 883472454 /nfs/dbraw/zinc/47/24/54/883472454.db2.gz RFDQXTJTLOUABZ-GFCCVEGCSA-N 1 0 324.788 1.646 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cc(=O)[nH]c2c1CCCC2 ZINC001229506398 884020814 /nfs/dbraw/zinc/02/08/14/884020814.db2.gz STARFFOEYRYARO-LLVKDONJSA-O 1 0 309.386 1.029 20 5 DDBDRO Cn1cc([N+](=O)[O-])c(C(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)n1 ZINC001290627346 913482097 /nfs/dbraw/zinc/48/20/97/913482097.db2.gz HQMDLDHKKTXDGG-LBPRGKRZSA-N 1 0 323.397 1.569 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C(CCO)CCO)CC2)cc1 ZINC001246340475 892550890 /nfs/dbraw/zinc/55/08/90/892550890.db2.gz UWIUIOMKOKPVSL-UHFFFAOYSA-N 1 0 323.393 1.287 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N[C@@H]2CC23C[NH2+]C3)c1F ZINC001246444822 892629157 /nfs/dbraw/zinc/62/91/57/892629157.db2.gz LWZCPPWOVNXYPA-NOZJJQNGSA-N 1 0 309.341 1.625 20 5 DDBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@@H]2CC3(CC3)C[NH2+]2)n1 ZINC001249213807 893874407 /nfs/dbraw/zinc/87/44/07/893874407.db2.gz IGAKCFYSNOTBNZ-QMMMGPOBSA-N 1 0 305.269 1.994 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]CCCN1CCOCC1)C2 ZINC001254569517 896504061 /nfs/dbraw/zinc/50/40/61/896504061.db2.gz YYKXZEUDLDHZON-OAHLLOKOSA-N 1 0 305.378 1.374 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]C1CN(c3ccccn3)C1)C2 ZINC001254586953 896519315 /nfs/dbraw/zinc/51/93/15/896519315.db2.gz UGMKGOHVNIRBTJ-AWEZNQCLSA-N 1 0 310.357 1.935 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1CCC[C@@H](n3ccnn3)C1)C2 ZINC001254610580 896529639 /nfs/dbraw/zinc/52/96/39/896529639.db2.gz LHJAHDMAQCYOQT-CVEARBPZSA-N 1 0 313.361 1.991 20 5 DDBDRO C[NH2+]C[C@H](C)CNC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC001261491692 899606565 /nfs/dbraw/zinc/60/65/65/899606565.db2.gz CTWXQTZXUIKLIR-QMMMGPOBSA-N 1 0 310.310 1.397 20 5 DDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001263225565 900542531 /nfs/dbraw/zinc/54/25/31/900542531.db2.gz REBWFPNEUWQTHR-MRXNPFEDSA-N 1 0 303.362 1.882 20 5 DDBDRO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3cc([N+](=O)[O-])ccc3F)[C@H]2C1 ZINC001263980100 900853685 /nfs/dbraw/zinc/85/36/85/900853685.db2.gz NEVFFFPZJIZKOD-WFBYXXMGSA-N 1 0 307.325 1.804 20 5 DDBDRO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)[C@H](O)c3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC001263996119 900865299 /nfs/dbraw/zinc/86/52/99/900865299.db2.gz STGZXTBJEIJNCO-PMOUVXMZSA-N 1 0 319.361 1.085 20 5 DDBDRO CCc1n[nH]c(C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)c1[N+](=O)[O-] ZINC000278453604 214163590 /nfs/dbraw/zinc/16/35/90/214163590.db2.gz RDBVZNBEWGGPDU-GXSJLCMTSA-N 1 0 307.354 1.047 20 5 DDBDRO CC[C@@H](O)C[NH+]1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000278535221 214219227 /nfs/dbraw/zinc/21/92/27/214219227.db2.gz UOBRTFHZICVUMN-GFCCVEGCSA-N 1 0 319.365 1.364 20 5 DDBDRO C[NH+](C)C[C@H]1CCCN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000330811635 282133717 /nfs/dbraw/zinc/13/37/17/282133717.db2.gz KHJRYPGMZPWFCK-LLVKDONJSA-N 1 0 313.379 1.310 20 5 DDBDRO NC(=O)[C@H]1CCCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000079192522 185161308 /nfs/dbraw/zinc/16/13/08/185161308.db2.gz JJDJNAUJKCBEJH-CQSZACIVSA-N 1 0 307.350 1.704 20 5 DDBDRO COCCN1CC[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000278714465 214347952 /nfs/dbraw/zinc/34/79/52/214347952.db2.gz OWEDLDITSDGYJV-LLVKDONJSA-N 1 0 319.365 1.281 20 5 DDBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc([S@](C)=O)cc1 ZINC000090539597 185301609 /nfs/dbraw/zinc/30/16/09/185301609.db2.gz AJEANENIKJWAOG-KPWVOAKYSA-N 1 0 322.390 1.880 20 5 DDBDRO C[N@H+](CCCCNC(=O)COc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000457173493 529882878 /nfs/dbraw/zinc/88/28/78/529882878.db2.gz LCLYKCMAEBCKDW-UHFFFAOYSA-N 1 0 321.377 1.964 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC(C)(C)C[NH+]1CCCC1 ZINC000457059903 231976080 /nfs/dbraw/zinc/97/60/80/231976080.db2.gz XMQFCGAHPYZWFB-UHFFFAOYSA-N 1 0 323.397 1.480 20 5 DDBDRO C[NH2+]C[C@H]1CCCN(C(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)C1 ZINC000422723873 530001447 /nfs/dbraw/zinc/00/14/47/530001447.db2.gz SSDLRISMUMELMK-GFCCVEGCSA-N 1 0 321.377 1.983 20 5 DDBDRO COc1cc(C(=O)NC(C)(C)C[NH+](C)C)cc([N+](=O)[O-])c1C ZINC000457256143 232024562 /nfs/dbraw/zinc/02/45/62/232024562.db2.gz YUMHQHDMCLGXEE-UHFFFAOYSA-N 1 0 309.366 1.982 20 5 DDBDRO CN(CC(=O)N[C@@H]1CCCC[C@@H]1C[NH3+])c1ccccc1[N+](=O)[O-] ZINC000237069561 282355665 /nfs/dbraw/zinc/35/56/65/282355665.db2.gz JXMMHEMKBDXTIO-CHWSQXEVSA-N 1 0 320.393 1.665 20 5 DDBDRO C[N@@H+]1CCC[C@@]2(CCN(CCn3cc([N+](=O)[O-])ccc3=O)C2)C1 ZINC000292976505 530059541 /nfs/dbraw/zinc/05/95/41/530059541.db2.gz MRKKWAMWTUDXML-MRXNPFEDSA-N 1 0 320.393 1.174 20 5 DDBDRO C[N@@H+]1CCC[C@H](CCNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000458175579 530060940 /nfs/dbraw/zinc/06/09/40/530060940.db2.gz CSYGQFXJFPLEGA-SNVBAGLBSA-N 1 0 308.338 1.157 20 5 DDBDRO C[NH+](C)CC1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000330764211 232051305 /nfs/dbraw/zinc/05/13/05/232051305.db2.gz IYRBNJFFCGDKSA-UHFFFAOYSA-N 1 0 305.378 1.938 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@H](C(F)(F)F)[C@H](CO)C2)n1 ZINC000286752870 219146461 /nfs/dbraw/zinc/14/64/61/219146461.db2.gz YVELIWOYXVZFRK-UWVGGRQHSA-N 1 0 322.287 1.284 20 5 DDBDRO C[C@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])cnc2N)CC[N@@H+]1C ZINC000330790359 232070981 /nfs/dbraw/zinc/07/09/81/232070981.db2.gz AOGWGFBYFQORTF-UWVGGRQHSA-N 1 0 307.354 1.127 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000272662118 210066628 /nfs/dbraw/zinc/06/66/28/210066628.db2.gz HCHQDRJIMCSVFH-NSHDSACASA-N 1 0 321.381 1.256 20 5 DDBDRO CC1(C)C[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H]1O ZINC000279708064 215079721 /nfs/dbraw/zinc/07/97/21/215079721.db2.gz HRPSJSAVIJIJMO-TZMCWYRMSA-N 1 0 310.350 1.037 20 5 DDBDRO CC1(O)CC[NH+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000182007799 199373700 /nfs/dbraw/zinc/37/37/00/199373700.db2.gz QPEREBGOLGLGOF-GFCCVEGCSA-N 1 0 310.350 1.181 20 5 DDBDRO Cc1n[nH]c(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)c1[N+](=O)[O-] ZINC000331383852 233256149 /nfs/dbraw/zinc/25/61/49/233256149.db2.gz HNQDVPPOZQNSPO-JTQLQIEISA-N 1 0 307.354 1.373 20 5 DDBDRO CN(C(=O)Cc1ccc([N+](=O)[O-])cc1F)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000358468201 299162697 /nfs/dbraw/zinc/16/26/97/299162697.db2.gz QDBMKPGCJSPCBS-CQSZACIVSA-N 1 0 321.352 1.972 20 5 DDBDRO CCC1([NH+](C)C)CCN(c2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000601229087 358455961 /nfs/dbraw/zinc/45/59/61/358455961.db2.gz FMAYTIKPTSTVAP-UHFFFAOYSA-N 1 0 318.381 1.948 20 5 DDBDRO Cn1cc(C[NH2+][C@@H]2CCC[C@H]2O)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000459600321 233358641 /nfs/dbraw/zinc/35/86/41/233358641.db2.gz TYAGGWMIPJLKIQ-HUUCEWRRSA-N 1 0 316.361 1.998 20 5 DDBDRO CCCC[C@H](C[NH3+])NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000150306794 186056862 /nfs/dbraw/zinc/05/68/62/186056862.db2.gz LHDJZXGKYJBDAQ-LLVKDONJSA-N 1 0 315.395 1.699 20 5 DDBDRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000237464616 186293451 /nfs/dbraw/zinc/29/34/51/186293451.db2.gz YMXDMSPKPPKELQ-QWHCGFSZSA-N 1 0 320.393 1.983 20 5 DDBDRO Cc1cc(C(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)c(N)c([N+](=O)[O-])c1 ZINC000237474686 186295295 /nfs/dbraw/zinc/29/52/95/186295295.db2.gz PLEQMHYQXILQQM-WDEREUQCSA-N 1 0 306.366 1.685 20 5 DDBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCC(C)(C)[NH3+] ZINC000237477601 186295365 /nfs/dbraw/zinc/29/53/65/186295365.db2.gz IUZXOSHUVRBGRP-MRVPVSSYSA-N 1 0 315.757 1.869 20 5 DDBDRO O=C(Cn1cc([N+](=O)[O-])cn1)NCCCCC[NH+]1CCCCC1 ZINC000171889897 198001825 /nfs/dbraw/zinc/00/18/25/198001825.db2.gz BJWIMEHTTVUXFB-UHFFFAOYSA-N 1 0 323.397 1.564 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H](C)[NH+]1CCCC1 ZINC000617350004 363065146 /nfs/dbraw/zinc/06/51/46/363065146.db2.gz UYKUTIJFLUMHPE-LLVKDONJSA-N 1 0 307.350 1.818 20 5 DDBDRO CC[NH+](CC)CCNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000055404456 352732256 /nfs/dbraw/zinc/73/22/56/352732256.db2.gz WTMYTJQMWILWHF-UHFFFAOYSA-N 1 0 308.382 1.855 20 5 DDBDRO O=C(COc1cccc([N+](=O)[O-])c1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000057553942 352820068 /nfs/dbraw/zinc/82/00/68/352820068.db2.gz JEIVVEOGSREHEI-LLVKDONJSA-N 1 0 305.334 1.327 20 5 DDBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](O)[C@@H]1CCOC1 ZINC000344832693 282845345 /nfs/dbraw/zinc/84/53/45/282845345.db2.gz SQTAXGLOOOAEGJ-JQIVSHAJSA-N 1 0 306.362 1.985 20 5 DDBDRO O=[N+]([O-])c1ccc2nc(N3CC[NH+](CCO)CC3)ccc2c1 ZINC000059371565 352862427 /nfs/dbraw/zinc/86/24/27/352862427.db2.gz KXGLDVKPTBYCNX-UHFFFAOYSA-N 1 0 302.334 1.257 20 5 DDBDRO O=[N+]([O-])c1cccnc1N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000064337416 352934491 /nfs/dbraw/zinc/93/44/91/352934491.db2.gz LTQHXLNKVBARKU-UHFFFAOYSA-N 1 0 320.393 1.929 20 5 DDBDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000063711076 352921221 /nfs/dbraw/zinc/92/12/21/352921221.db2.gz GWURMKJEMIRIDW-CYBMUJFWSA-N 1 0 323.397 1.418 20 5 DDBDRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1csc([N+](=O)[O-])c1 ZINC000061649248 352892049 /nfs/dbraw/zinc/89/20/49/352892049.db2.gz OBEHSWREMNLQJW-QWRGUYRKSA-N 1 0 311.363 1.249 20 5 DDBDRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1cccc([N+](=O)[O-])c1 ZINC000061649424 352892131 /nfs/dbraw/zinc/89/21/31/352892131.db2.gz CIDNPQDIYJATOW-UONOGXRCSA-N 1 0 305.334 1.188 20 5 DDBDRO C[C@@H](CC[NH+](C)C)NC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000062504442 352899137 /nfs/dbraw/zinc/89/91/37/352899137.db2.gz DRFRPACTXSESLV-LBPRGKRZSA-N 1 0 323.397 1.646 20 5 DDBDRO COCCC[N@H+](C)CCNC(=O)c1cc(C)cc([N+](=O)[O-])c1N ZINC000173552166 198226410 /nfs/dbraw/zinc/22/64/10/198226410.db2.gz FTVFUSLAFCLJMY-UHFFFAOYSA-N 1 0 324.381 1.184 20 5 DDBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000174511743 198343829 /nfs/dbraw/zinc/34/38/29/198343829.db2.gz MXGYABOORIPLKP-CYBMUJFWSA-N 1 0 320.393 1.807 20 5 DDBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000174539707 198349576 /nfs/dbraw/zinc/34/95/76/198349576.db2.gz RTPQPLLRSVYIOA-CYBMUJFWSA-N 1 0 321.377 1.774 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC1CC[NH+](C)CC1 ZINC000075705128 353376482 /nfs/dbraw/zinc/37/64/82/353376482.db2.gz QETKLHJUMCDHLI-UHFFFAOYSA-N 1 0 313.379 1.276 20 5 DDBDRO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075838164 353382185 /nfs/dbraw/zinc/38/21/85/353382185.db2.gz CFDLHPLGNGUOLU-OSRDXIQISA-N 1 0 308.382 1.805 20 5 DDBDRO C[N@H+](CCOc1ccccc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174654238 198365553 /nfs/dbraw/zinc/36/55/53/198365553.db2.gz CRGOYXDNJYOEHV-CQSZACIVSA-N 1 0 320.349 1.163 20 5 DDBDRO CC[NH+](CC)CCNS(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000076825470 353439766 /nfs/dbraw/zinc/43/97/66/353439766.db2.gz CTJCVYXMQZVDQG-UHFFFAOYSA-N 1 0 315.395 1.523 20 5 DDBDRO C[C@@H](c1ccco1)[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000086233757 353739711 /nfs/dbraw/zinc/73/97/11/353739711.db2.gz SLEXFAUXMWGPQQ-SMDDNHRTSA-N 1 0 320.349 1.971 20 5 DDBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C1CCC(CO)CC1 ZINC000090560661 353795766 /nfs/dbraw/zinc/79/57/66/353795766.db2.gz GNIHHZYZFHYPRK-UHFFFAOYSA-N 1 0 309.366 1.239 20 5 DDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000142316507 354144385 /nfs/dbraw/zinc/14/43/85/354144385.db2.gz QTOISPKTXTYWLD-OAHLLOKOSA-N 1 0 303.362 1.834 20 5 DDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CC[C@@H](O)C(F)F)n1 ZINC000601299416 358485216 /nfs/dbraw/zinc/48/52/16/358485216.db2.gz QQOLGLARIJGSKO-HBNTYKKESA-N 1 0 318.324 1.881 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H](C)C[C@H](C)[NH3+])cc1C ZINC000320756192 354529515 /nfs/dbraw/zinc/52/95/15/354529515.db2.gz WNKUKTKPDNVEGU-WDEREUQCSA-N 1 0 315.395 1.616 20 5 DDBDRO COc1cc(C(=O)N2CC[NH2+]CC2(C)C)c([N+](=O)[O-])cc1OC ZINC000321098524 354531000 /nfs/dbraw/zinc/53/10/00/354531000.db2.gz OPXZXMVZVWHTFC-UHFFFAOYSA-N 1 0 323.349 1.436 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000316722364 354505546 /nfs/dbraw/zinc/50/55/46/354505546.db2.gz MUWPIANMRYHHCO-UHFFFAOYSA-N 1 0 300.318 1.831 20 5 DDBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C1CN(c2ccncn2)C1 ZINC000601304253 358487767 /nfs/dbraw/zinc/48/77/67/358487767.db2.gz OOSDSLOYIKWOLY-CQSZACIVSA-N 1 0 311.345 1.851 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC(F)(F)[C@H](CO)C1 ZINC000403826584 354670525 /nfs/dbraw/zinc/67/05/25/354670525.db2.gz CGDNGOOHPKBLNL-JTQLQIEISA-N 1 0 304.297 1.049 20 5 DDBDRO C[C@H]1CCCN(CC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]1CC[NH3+] ZINC000404307949 354676120 /nfs/dbraw/zinc/67/61/20/354676120.db2.gz IYDBJMZNRLOARJ-GXTWGEPZSA-N 1 0 320.393 1.983 20 5 DDBDRO CCO[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(OC)c2)C[C@H]1C[NH3+] ZINC000405357693 354678832 /nfs/dbraw/zinc/67/88/32/354678832.db2.gz ZLDCJJIUHJGBEU-BXUZGUMPSA-N 1 0 323.349 1.039 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@H](CO)c1ccccc1 ZINC000183657897 199627967 /nfs/dbraw/zinc/62/79/67/199627967.db2.gz NVJAKIZINGQKRX-CQSZACIVSA-N 1 0 303.318 1.080 20 5 DDBDRO COc1cc(N(C)C[C@@H]2C[C@H](OC)C[N@H+]2C)ccc1[N+](=O)[O-] ZINC000585783525 354842191 /nfs/dbraw/zinc/84/21/91/354842191.db2.gz RSSXWGXPKIDBRJ-STQMWFEESA-N 1 0 309.366 1.759 20 5 DDBDRO CCOc1cc(C[N@H+](CCO)C2CCOCC2)ccc1[N+](=O)[O-] ZINC000276989229 213224401 /nfs/dbraw/zinc/22/44/01/213224401.db2.gz ZSEZVJBFYBTXTB-UHFFFAOYSA-N 1 0 324.377 1.967 20 5 DDBDRO Nc1cc(NC2CC[NH+](C3CC3)CC2)cc(CO)c1[N+](=O)[O-] ZINC000587093231 354880900 /nfs/dbraw/zinc/88/09/00/354880900.db2.gz VKZSTDYODQZCNT-UHFFFAOYSA-N 1 0 306.366 1.708 20 5 DDBDRO CNC(=O)[C@@H]1CCCN1Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589495898 354996197 /nfs/dbraw/zinc/99/61/97/354996197.db2.gz ILWDEOOHBBKFJU-ZDUSSCGKSA-N 1 0 321.333 1.092 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@H]2C[C@H](O)C2(C)C)c1 ZINC000589515095 354999028 /nfs/dbraw/zinc/99/90/28/354999028.db2.gz XYBNAKWQFUGQQE-STQMWFEESA-N 1 0 308.334 1.630 20 5 DDBDRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000590044131 355042426 /nfs/dbraw/zinc/04/24/26/355042426.db2.gz HGHYQLITGDWLKP-AAEUAGOBSA-N 1 0 305.334 1.136 20 5 DDBDRO CS(=O)(=O)C[C@@H]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000590053487 355044949 /nfs/dbraw/zinc/04/49/49/355044949.db2.gz ZNEXOCRIBFKYSV-RYWCDNDXSA-N 1 0 324.402 1.975 20 5 DDBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000590589926 355122359 /nfs/dbraw/zinc/12/23/59/355122359.db2.gz TWGDHKQQFIQTSS-GWCFXTLKSA-N 1 0 313.379 1.308 20 5 DDBDRO C[N@@H+]1C[C@H]2CCN(C(=O)CNc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000590442837 355096440 /nfs/dbraw/zinc/09/64/40/355096440.db2.gz HLYSCOOTNPVXSX-RISCZKNCSA-N 1 0 304.350 1.169 20 5 DDBDRO C[N@@H+]1C[C@@H]2CCN(C(=O)CSc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000590446357 355099786 /nfs/dbraw/zinc/09/97/86/355099786.db2.gz UTPAZNMRFOSNOL-SMDDNHRTSA-N 1 0 321.402 1.849 20 5 DDBDRO Cc1cc(NC(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000332595593 235168190 /nfs/dbraw/zinc/16/81/90/235168190.db2.gz BQRZJPBIHIGZMJ-RYUDHWBXSA-N 1 0 304.350 1.976 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000332614371 235199725 /nfs/dbraw/zinc/19/97/25/235199725.db2.gz GQMCMWUJLJLGAZ-NWDGAFQWSA-N 1 0 304.350 1.976 20 5 DDBDRO [NH3+]C/C=C\CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000591360860 355300932 /nfs/dbraw/zinc/30/09/32/355300932.db2.gz ARXYXDDXJBKDGU-UPHRSURJSA-N 1 0 304.350 1.784 20 5 DDBDRO O=[N+]([O-])c1cc2c(cc1CNC[C@@H]1C[C@H](F)C[NH2+]1)OCCO2 ZINC000591281872 355277558 /nfs/dbraw/zinc/27/75/58/355277558.db2.gz QNULUPYURPKCHR-QWRGUYRKSA-N 1 0 311.313 1.156 20 5 DDBDRO COc1ccc(NC(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)cc1[N+](=O)[O-] ZINC000591297638 355283542 /nfs/dbraw/zinc/28/35/42/355283542.db2.gz RUQBYLSJDMHMNL-PWSUYJOCSA-N 1 0 320.349 1.819 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CCc2cscn2)c1 ZINC000591754407 355377965 /nfs/dbraw/zinc/37/79/65/355377965.db2.gz JNRBHFUVSXLZMJ-CYBMUJFWSA-N 1 0 323.374 1.623 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]Cc2ccc(F)cn2)c1 ZINC000591754418 355378068 /nfs/dbraw/zinc/37/80/68/355378068.db2.gz JUPXJJBFVWFVQG-AWEZNQCLSA-N 1 0 321.308 1.658 20 5 DDBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC12CC[NH2+]CC2 ZINC000591686013 355362409 /nfs/dbraw/zinc/36/24/09/355362409.db2.gz LBRBHGVTARBAPA-CYBMUJFWSA-N 1 0 321.402 1.945 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592255460 355548703 /nfs/dbraw/zinc/54/87/03/355548703.db2.gz PSVIPLZWQYLDLQ-NWDGAFQWSA-N 1 0 321.381 1.180 20 5 DDBDRO C[C@]1([NH3+])CCCC[C@@H]1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000592136567 355510118 /nfs/dbraw/zinc/51/01/18/355510118.db2.gz RKUBFJXTDAECNB-ZBFHGGJFSA-N 1 0 321.377 1.997 20 5 DDBDRO CC[C@H]1CN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC[C@@H]1[NH3+] ZINC000592330546 355560510 /nfs/dbraw/zinc/56/05/10/355560510.db2.gz BZQYOKKRKFFVJL-CABZTGNLSA-N 1 0 317.349 1.671 20 5 DDBDRO COC(=O)[C@@H]1C[NH2+]CCCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000592433438 355582770 /nfs/dbraw/zinc/58/27/70/355582770.db2.gz FPXLSGDBTDFNOZ-ZDUSSCGKSA-N 1 0 311.313 1.071 20 5 DDBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H](C)CCC[NH3+] ZINC000592390763 355573926 /nfs/dbraw/zinc/57/39/26/355573926.db2.gz UUEADUYHJPNKNR-VIFPVBQESA-N 1 0 317.367 1.009 20 5 DDBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H](C)CCC[NH3+] ZINC000592390762 355573999 /nfs/dbraw/zinc/57/39/99/355573999.db2.gz UUEADUYHJPNKNR-SECBINFHSA-N 1 0 317.367 1.009 20 5 DDBDRO CC1(OCC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)C[NH2+]C1 ZINC000592558232 355627938 /nfs/dbraw/zinc/62/79/38/355627938.db2.gz CJQRWTOYJCVQIM-UHFFFAOYSA-N 1 0 319.361 1.464 20 5 DDBDRO C[C@@H]1[C@H](C(=O)NCCNc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000592746816 355673761 /nfs/dbraw/zinc/67/37/61/355673761.db2.gz GVNCZTWFPZOKBB-VXGBXAGGSA-N 1 0 306.366 1.463 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[N@H+](C)[C@@H](C)[C@@H]2C)c1 ZINC000593019058 355771487 /nfs/dbraw/zinc/77/14/87/355771487.db2.gz DGQLKQOJIFOPFB-RYUDHWBXSA-N 1 0 321.377 1.906 20 5 DDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@H](CO)CCF)n1 ZINC000593719456 355975571 /nfs/dbraw/zinc/97/55/71/355975571.db2.gz YMLVWJKKAXCGEZ-SDDRHHMPSA-N 1 0 300.334 1.585 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)CC[NH+]1CCCCC1 ZINC000593884664 356040458 /nfs/dbraw/zinc/04/04/58/356040458.db2.gz WEJCWXLOCCDGLZ-UHFFFAOYSA-N 1 0 309.370 1.044 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NCCC1(C[NH3+])CC1 ZINC000593913654 356057267 /nfs/dbraw/zinc/05/72/67/356057267.db2.gz BORPAQMSIDKHOG-UHFFFAOYSA-N 1 0 307.350 1.852 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000593915353 356058087 /nfs/dbraw/zinc/05/80/87/356058087.db2.gz JFAUESGBAQTXQU-HZMBPMFUSA-N 1 0 306.366 1.888 20 5 DDBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@@H](N2CCOCC2)C1 ZINC000593995888 356082317 /nfs/dbraw/zinc/08/23/17/356082317.db2.gz DAGXSPRORDMQFX-OAHLLOKOSA-N 1 0 305.378 1.891 20 5 DDBDRO CO[C@@](C)(CO)C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000594509702 356239218 /nfs/dbraw/zinc/23/92/18/356239218.db2.gz LAJKYHNKVKDNQN-CYBMUJFWSA-N 1 0 320.292 1.683 20 5 DDBDRO Cn1nnc2c1CC[C@H]([NH2+][C@@H]1CCc3c1cccc3[N+](=O)[O-])C2 ZINC000594510649 356240804 /nfs/dbraw/zinc/24/08/04/356240804.db2.gz AFCBBHJVCRYQJP-GXFFZTMASA-N 1 0 313.361 1.858 20 5 DDBDRO [NH3+]C[C@H](NC(=O)NCc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000594523408 356242602 /nfs/dbraw/zinc/24/26/02/356242602.db2.gz BGTZPRSGAPIODS-VIFPVBQESA-N 1 0 306.244 1.284 20 5 DDBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2C[C@@H](O)C23CCC3)c2c(c1)COCO2 ZINC000594986389 356368298 /nfs/dbraw/zinc/36/82/98/356368298.db2.gz DWQIMKNHAGPGJK-UONOGXRCSA-N 1 0 320.345 1.854 20 5 DDBDRO Cc1ccc([C@H](C)[NH2+]C[C@]2(OCCO)CCOC2)cc1[N+](=O)[O-] ZINC000595078285 356379275 /nfs/dbraw/zinc/37/92/75/356379275.db2.gz OLYZNZJLIJNNSY-XJKSGUPXSA-N 1 0 324.377 1.722 20 5 DDBDRO CCc1ccc(S(=O)(=O)N[C@@H](C)C[NH2+]C)cc1[N+](=O)[O-] ZINC000595118850 356385350 /nfs/dbraw/zinc/38/53/50/356385350.db2.gz HIHXUGDYUGUPDH-VIFPVBQESA-N 1 0 301.368 1.043 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000595226700 356411351 /nfs/dbraw/zinc/41/13/51/356411351.db2.gz YZJNHVGGLIGCQM-TZMCWYRMSA-N 1 0 320.393 1.928 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC2CC1(C[NH3+])C2 ZINC000595228818 356412354 /nfs/dbraw/zinc/41/23/54/356412354.db2.gz NHCSNMCGGVZOTM-UHFFFAOYSA-N 1 0 306.322 1.558 20 5 DDBDRO Cc1c(CNC(=O)NCC23CC(C2)C[NH2+]3)cccc1[N+](=O)[O-] ZINC000595274133 356428858 /nfs/dbraw/zinc/42/88/58/356428858.db2.gz OXYOPXMFNCLRBE-UHFFFAOYSA-N 1 0 304.350 1.454 20 5 DDBDRO Cc1noc(C[N@@H+]2C[C@H](O)C[C@@H]2[C@@H]2CCCOC2)c1[N+](=O)[O-] ZINC000595527999 356534751 /nfs/dbraw/zinc/53/47/51/356534751.db2.gz PYZVJSDWAHZNQM-IJLUTSLNSA-N 1 0 311.338 1.253 20 5 DDBDRO Cc1cc(S(=O)(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)c([N+](=O)[O-])s1 ZINC000601341749 358506954 /nfs/dbraw/zinc/50/69/54/358506954.db2.gz BKTAHJYUMDCIJY-YUMQZZPRSA-N 1 0 319.408 1.336 20 5 DDBDRO C[C@@H]1C[NH+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H](C)C1O ZINC000595744149 356632689 /nfs/dbraw/zinc/63/26/89/356632689.db2.gz TVXJDOXJUXFWST-JHJVBQTASA-N 1 0 324.377 1.283 20 5 DDBDRO CC[C@@H]([NH2+]C)C(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-] ZINC000595925386 356707059 /nfs/dbraw/zinc/70/70/59/356707059.db2.gz QGNVGZPUSNIKGP-GFCCVEGCSA-N 1 0 308.382 1.819 20 5 DDBDRO C[NH2+]C[C@H](C)NC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000595981257 356734750 /nfs/dbraw/zinc/73/47/50/356734750.db2.gz CDUDNXLVHZNASP-QMMMGPOBSA-N 1 0 313.379 1.663 20 5 DDBDRO C[NH2+]C[C@@H](C)NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000595983051 356735473 /nfs/dbraw/zinc/73/54/73/356735473.db2.gz MXZUHODBCWOIEG-SNVBAGLBSA-N 1 0 303.322 1.118 20 5 DDBDRO CN(CC(C)(C)[NH3+])C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000595941250 356715081 /nfs/dbraw/zinc/71/50/81/356715081.db2.gz CHGGOMIMZJKPPH-UHFFFAOYSA-N 1 0 306.366 1.978 20 5 DDBDRO Cc1ccc(C)c(S(=O)(=O)N[C@]2(C)CC[NH2+]C2)c1[N+](=O)[O-] ZINC000596052216 356753964 /nfs/dbraw/zinc/75/39/64/356753964.db2.gz UVCIMWDUPCNRBY-CYBMUJFWSA-N 1 0 313.379 1.242 20 5 DDBDRO Cc1cnc(N2CCC(CO)([NH2+]CC(C)C)CC2)c([N+](=O)[O-])c1 ZINC000596253384 356833848 /nfs/dbraw/zinc/83/38/48/356833848.db2.gz RXVQVXBCSDRYSE-UHFFFAOYSA-N 1 0 322.409 1.875 20 5 DDBDRO COC(=O)c1cc(NC(=O)[C@H]2CC[C@@H]([NH3+])C2)cc([N+](=O)[O-])c1 ZINC000237187087 202180735 /nfs/dbraw/zinc/18/07/35/202180735.db2.gz BDIVQYQVCLZHCF-WCBMZHEXSA-N 1 0 307.306 1.447 20 5 DDBDRO CC[N@@H+]1CC[C@@H](N(C)c2ccc([N+](=O)[O-])c(C(N)=O)c2)[C@H](C)C1 ZINC000596136090 356786521 /nfs/dbraw/zinc/78/65/21/356786521.db2.gz HCUIDCOHBPWMAQ-BXUZGUMPSA-N 1 0 320.393 1.860 20 5 DDBDRO O=c1[nH]ccc(N2CCC[C@@H]([NH+]3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000596294526 356848488 /nfs/dbraw/zinc/84/84/88/356848488.db2.gz LVQSEYXNZYZYLB-GFCCVEGCSA-N 1 0 322.365 1.387 20 5 DDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000596537450 356910101 /nfs/dbraw/zinc/91/01/01/356910101.db2.gz GKYCPLREYSZHAI-ZDUSSCGKSA-N 1 0 323.397 1.155 20 5 DDBDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000596476844 356892339 /nfs/dbraw/zinc/89/23/39/356892339.db2.gz UGEBBEDYLAMQME-GFCCVEGCSA-N 1 0 308.382 1.784 20 5 DDBDRO COc1ccc(C[NH2+][C@@H](C)CN2CCOCC2)cc1[N+](=O)[O-] ZINC000237259769 202208400 /nfs/dbraw/zinc/20/84/00/202208400.db2.gz WPWBPHOBWVVRBX-LBPRGKRZSA-N 1 0 309.366 1.414 20 5 DDBDRO CC(=O)NCC[C@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000347622522 283243421 /nfs/dbraw/zinc/24/34/21/283243421.db2.gz JAFHLRBBDOVKCB-CYBMUJFWSA-N 1 0 309.370 1.030 20 5 DDBDRO CC[C@H]1C[N@H+](C)CCCN1C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000597604825 357250113 /nfs/dbraw/zinc/25/01/13/357250113.db2.gz KYDYMKLSRWRAFE-LBPRGKRZSA-N 1 0 307.350 1.857 20 5 DDBDRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000597857315 357360304 /nfs/dbraw/zinc/36/03/04/357360304.db2.gz DBVIPDAFQVIQKB-NSHDSACASA-N 1 0 323.397 1.515 20 5 DDBDRO CN(CCC[NH+](C)C)CCNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000597989849 357408835 /nfs/dbraw/zinc/40/88/35/357408835.db2.gz KOXFNOUCGOPMQS-UHFFFAOYSA-N 1 0 322.409 1.137 20 5 DDBDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000598265940 357514835 /nfs/dbraw/zinc/51/48/35/357514835.db2.gz WKTLMFLFUFSDHN-LLVKDONJSA-N 1 0 322.365 1.546 20 5 DDBDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000598266448 357514974 /nfs/dbraw/zinc/51/49/74/357514974.db2.gz YAGVEUSRBPJKGZ-GFCCVEGCSA-N 1 0 308.382 1.784 20 5 DDBDRO CCC[N@@H+]1CC[C@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000598343798 357546910 /nfs/dbraw/zinc/54/69/10/357546910.db2.gz YFVCRRVMHXWLLJ-JTQLQIEISA-N 1 0 321.333 1.538 20 5 DDBDRO Cn1cc([N+](=O)[O-])c(C(=O)NCC2CC[NH+](CC3CC3)CC2)n1 ZINC000598539016 357625778 /nfs/dbraw/zinc/62/57/78/357625778.db2.gz BARMUJYNLNCNBT-UHFFFAOYSA-N 1 0 321.381 1.180 20 5 DDBDRO CCC[N@H+](CC)CCNc1nccc(C(=O)OC)c1[N+](=O)[O-] ZINC000598599780 357648523 /nfs/dbraw/zinc/64/85/23/357648523.db2.gz FECPACTUSFFOOJ-UHFFFAOYSA-N 1 0 310.354 1.920 20 5 DDBDRO COc1ccc(C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)cc1[N+](=O)[O-] ZINC000598667423 357677339 /nfs/dbraw/zinc/67/73/39/357677339.db2.gz GNJUKGDWYILGSH-NHYWBVRUSA-N 1 0 305.334 1.557 20 5 DDBDRO Cc1ccc(S(=O)(=O)N[C@@H](C)[C@H](C)[NH3+])c(C)c1[N+](=O)[O-] ZINC000598713291 357701157 /nfs/dbraw/zinc/70/11/57/357701157.db2.gz AHPTXWJQXNBLEO-UWVGGRQHSA-N 1 0 301.368 1.226 20 5 DDBDRO CN1CCC[C@H]1C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000599015055 357794329 /nfs/dbraw/zinc/79/43/29/357794329.db2.gz VJGYUBPFDLAEPN-LBPRGKRZSA-N 1 0 307.350 1.550 20 5 DDBDRO O=C1NC[C@H]2CN(c3ccc4cnccc4c3[N+](=O)[O-])CCN12 ZINC000599062463 357806045 /nfs/dbraw/zinc/80/60/45/357806045.db2.gz QULPQTHPBGZVQK-NSHDSACASA-N 1 0 313.317 1.357 20 5 DDBDRO CCOC(=O)c1ccnc(N2C[C@@H](C)[NH2+][C@@H](C)C2)c1[N+](=O)[O-] ZINC000599102949 357815712 /nfs/dbraw/zinc/81/57/12/357815712.db2.gz HJVLXDUQKWGZPR-AOOOYVTPSA-N 1 0 308.338 1.353 20 5 DDBDRO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000599622394 357995339 /nfs/dbraw/zinc/99/53/39/357995339.db2.gz BPLIXVOPTLYSHP-JNIYBQFBSA-N 1 0 307.350 1.935 20 5 DDBDRO C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000599622397 357995387 /nfs/dbraw/zinc/99/53/87/357995387.db2.gz BPLIXVOPTLYSHP-ZVXAKGHKSA-N 1 0 307.350 1.935 20 5 DDBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)C[C@H]1C[C@@H](O)C1 ZINC000599674069 358019850 /nfs/dbraw/zinc/01/98/50/358019850.db2.gz WBSNPHCOVVKPEW-COPLHBTASA-N 1 0 307.350 1.625 20 5 DDBDRO CC(=O)NC[C@H]1CCCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000599704806 358033262 /nfs/dbraw/zinc/03/32/62/358033262.db2.gz UEEDGDSNYSOJJJ-OAHLLOKOSA-N 1 0 321.377 1.964 20 5 DDBDRO COC(=O)c1cnc(N(C)C[C@@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC000276712125 213060476 /nfs/dbraw/zinc/06/04/76/213060476.db2.gz JJYVVRSKWQBJCY-LLVKDONJSA-N 1 0 322.365 1.554 20 5 DDBDRO C[C@H]1CC[C@H](NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])C[NH2+]1 ZINC000599932585 358084404 /nfs/dbraw/zinc/08/44/04/358084404.db2.gz BOKTVVIDDGJDLT-JSGCOSHPSA-N 1 0 320.393 1.919 20 5 DDBDRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)COc3ccc([N+](=O)[O-])cc3)C[C@@H]12 ZINC000185088760 199807098 /nfs/dbraw/zinc/80/70/98/199807098.db2.gz HGBHGCHNYGECGN-LERXQTSPSA-N 1 0 305.334 1.169 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000358901631 299274558 /nfs/dbraw/zinc/27/45/58/299274558.db2.gz JYUBGJVCSQURQX-UHFFFAOYSA-N 1 0 321.381 1.092 20 5 DDBDRO C[N@@H+]1CCCC[C@H](CNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000600315919 358194993 /nfs/dbraw/zinc/19/49/93/358194993.db2.gz XGGZBIUZOQUZIY-GFCCVEGCSA-N 1 0 323.397 1.375 20 5 DDBDRO CC1([NH+]2CCOCC2)CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000600409968 358213207 /nfs/dbraw/zinc/21/32/07/358213207.db2.gz JOLWXNVNKYSDAS-UHFFFAOYSA-N 1 0 322.365 1.250 20 5 DDBDRO O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000600472387 358234024 /nfs/dbraw/zinc/23/40/24/358234024.db2.gz XCNQZXWURXOHOL-LBPRGKRZSA-N 1 0 320.349 1.442 20 5 DDBDRO COc1cc(CN[C@@H]2CC[C@@H](C)[NH2+]C2)c([N+](=O)[O-])cc1OC ZINC000600679637 358281046 /nfs/dbraw/zinc/28/10/46/358281046.db2.gz MKXUSRQFXWXVGH-ZYHUDNBSSA-N 1 0 309.366 1.842 20 5 DDBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000180565494 199177050 /nfs/dbraw/zinc/17/70/50/199177050.db2.gz DEBZACKUKOQYTB-LLVKDONJSA-N 1 0 321.381 1.566 20 5 DDBDRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000237350812 202241508 /nfs/dbraw/zinc/24/15/08/202241508.db2.gz HGZZKPSPUMAGRE-RISCZKNCSA-N 1 0 307.350 1.702 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1CNCC1([NH3+])CCOCC1 ZINC000600678277 358280293 /nfs/dbraw/zinc/28/02/93/358280293.db2.gz PMGYFLRJSLZMRM-UHFFFAOYSA-N 1 0 309.366 1.591 20 5 DDBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[NH2+][C@H]1C ZINC000600681440 358281617 /nfs/dbraw/zinc/28/16/17/358281617.db2.gz HVIVTMUWIHECMU-UHIISALHSA-N 1 0 306.366 1.652 20 5 DDBDRO CC[N@@H+]1C[C@H](C)N(c2ccc3ncc([N+](=O)[O-])n3n2)C[C@@H]1C ZINC000348109423 283372768 /nfs/dbraw/zinc/37/27/68/283372768.db2.gz VLXMWIGSXGNZTM-QWRGUYRKSA-N 1 0 304.354 1.556 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(c3ncnc4cccc([N+](=O)[O-])c43)C[C@@H]2C1 ZINC000601185475 358438621 /nfs/dbraw/zinc/43/86/21/358438621.db2.gz VHQPJFHBMPJMHU-NEPJUHHUSA-N 1 0 313.361 1.926 20 5 DDBDRO CCN(CCC[NH+]1CCCC1)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000276538577 212948460 /nfs/dbraw/zinc/94/84/60/212948460.db2.gz ZPFUEOSZUHRLHH-UHFFFAOYSA-N 1 0 309.370 1.126 20 5 DDBDRO CC1(C)C[NH2+]CC[C@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000601971680 358759447 /nfs/dbraw/zinc/75/94/47/358759447.db2.gz DOELPBCDQHORDH-LBPRGKRZSA-N 1 0 321.377 1.868 20 5 DDBDRO CC[NH+](CC)CCOCCNC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000348158294 283394732 /nfs/dbraw/zinc/39/47/32/283394732.db2.gz ODRLNJRFHVEHTA-UHFFFAOYSA-N 1 0 323.393 1.991 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1C[C@@H]([NH+]2CCCC2)C1 ZINC000602166405 358857614 /nfs/dbraw/zinc/85/76/14/358857614.db2.gz GZTOKBQZNPVJCP-BJHJDKERSA-N 1 0 319.361 1.960 20 5 DDBDRO CN(CCC[NH2+]CCc1ccc([N+](=O)[O-])cc1)S(C)(=O)=O ZINC000602511877 359021478 /nfs/dbraw/zinc/02/14/78/359021478.db2.gz RYEKAPFQODCWSY-UHFFFAOYSA-N 1 0 315.395 1.008 20 5 DDBDRO Cc1c(CC(=O)N2CC[NH2+]C[C@@H]2C(C)C)cccc1[N+](=O)[O-] ZINC000602527714 359027068 /nfs/dbraw/zinc/02/70/68/359027068.db2.gz KGQUDYILZFXGSW-OAHLLOKOSA-N 1 0 305.378 1.902 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@@H]3CC[C@H](O)C3)CC2)cn1 ZINC000602642139 359093392 /nfs/dbraw/zinc/09/33/92/359093392.db2.gz HPBJCMNYXNCTHA-DOMZBBRYSA-N 1 0 320.393 1.709 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@H]3CC[C@H](O)C3)CC2)cn1 ZINC000602642142 359093691 /nfs/dbraw/zinc/09/36/91/359093691.db2.gz HPBJCMNYXNCTHA-WFASDCNBSA-N 1 0 320.393 1.709 20 5 DDBDRO CN(C)C(=O)[C@H]1CC[C@@H](C[NH2+]CCc2ccc([N+](=O)[O-])cc2)O1 ZINC000602584202 359055884 /nfs/dbraw/zinc/05/58/84/359055884.db2.gz YARTYTSUZWFXAZ-LSDHHAIUSA-N 1 0 321.377 1.363 20 5 DDBDRO COC[C@H](CC[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)OC ZINC000602707396 359138555 /nfs/dbraw/zinc/13/85/55/359138555.db2.gz VIYORWHPYIGTRZ-NSHDSACASA-N 1 0 309.322 1.877 20 5 DDBDRO C[C@H]1COCC[N@@H+]1C1CCN(Cc2cn(C)nc2[N+](=O)[O-])CC1 ZINC000602838860 359229266 /nfs/dbraw/zinc/22/92/66/359229266.db2.gz UHSAMPADSVZPNW-LBPRGKRZSA-N 1 0 323.397 1.013 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCCN(CC(F)F)CC1 ZINC000602802289 359201307 /nfs/dbraw/zinc/20/13/07/359201307.db2.gz XSAKCQWZAZAMPD-UHFFFAOYSA-N 1 0 317.340 1.373 20 5 DDBDRO COC(=O)[C@@]1(C)C[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C[C@@H]1C ZINC000602929913 359299921 /nfs/dbraw/zinc/29/99/21/359299921.db2.gz YSYMCNQBCIVWFJ-HZMBPMFUSA-N 1 0 310.354 1.231 20 5 DDBDRO Cc1noc(CN2C[C@@H](CO)[C@H](C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000602988581 359341264 /nfs/dbraw/zinc/34/12/64/359341264.db2.gz OUWXKUOGGCUXCS-JGVFFNPUSA-N 1 0 309.244 1.494 20 5 DDBDRO Cc1c(Cn2cc(C[C@@H]3CC[NH2+]C3)nn2)cccc1[N+](=O)[O-] ZINC000603199695 359475080 /nfs/dbraw/zinc/47/50/80/359475080.db2.gz SGIZLQDCQAKTIE-LBPRGKRZSA-N 1 0 301.350 1.695 20 5 DDBDRO COc1cc(Cn2cc(C[NH2+]C3CC3)nn2)ccc1[N+](=O)[O-] ZINC000603244661 359511187 /nfs/dbraw/zinc/51/11/87/359511187.db2.gz UDTTWNHWICSNLP-UHFFFAOYSA-N 1 0 303.322 1.495 20 5 DDBDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000186910506 200029492 /nfs/dbraw/zinc/02/94/92/200029492.db2.gz NBSIHLWSPMKJQM-JTQLQIEISA-N 1 0 308.338 1.300 20 5 DDBDRO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])C1CCS(=O)(=O)CC1 ZINC000187317483 200094227 /nfs/dbraw/zinc/09/42/27/200094227.db2.gz NLZJSDCTCSXPAT-LLVKDONJSA-N 1 0 312.391 1.898 20 5 DDBDRO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000418475547 283475947 /nfs/dbraw/zinc/47/59/47/283475947.db2.gz SPWVQVSCIPAEGV-WFASDCNBSA-N 1 0 318.377 1.790 20 5 DDBDRO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1CC(C)(C)O ZINC000188682652 200286682 /nfs/dbraw/zinc/28/66/82/200286682.db2.gz XESPLXDOICZCAF-LBPRGKRZSA-N 1 0 321.377 1.512 20 5 DDBDRO O=C(C1CC[NH2+]CC1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000238107856 202442550 /nfs/dbraw/zinc/44/25/50/202442550.db2.gz JBODTOVQLJLUPQ-GFCCVEGCSA-N 1 0 319.365 1.002 20 5 DDBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccncc2[N+](=O)[O-])C[C@H]1C ZINC000359020299 299308778 /nfs/dbraw/zinc/30/87/78/299308778.db2.gz PUAGKZAOZTWVGH-NEPJUHHUSA-N 1 0 321.381 1.748 20 5 DDBDRO COCC(=O)NC1CC[NH+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000610367616 360422847 /nfs/dbraw/zinc/42/28/47/360422847.db2.gz AQZSZNHXOPAGBK-GFCCVEGCSA-N 1 0 321.377 1.883 20 5 DDBDRO CO[C@@H](C)[C@@H](C)NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000292426181 223071588 /nfs/dbraw/zinc/07/15/88/223071588.db2.gz CQAMKESWSDXJQT-MNOVXSKESA-N 1 0 318.333 1.934 20 5 DDBDRO C[C@H]1COCCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000610990902 360592261 /nfs/dbraw/zinc/59/22/61/360592261.db2.gz UFQGIZKERFOUGH-JSGCOSHPSA-N 1 0 310.350 1.445 20 5 DDBDRO C[NH+](C)CCO[C@H]1CCN(c2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000611132740 360631412 /nfs/dbraw/zinc/63/14/12/360631412.db2.gz FICOIPLVEYYOIC-NSHDSACASA-N 1 0 314.773 1.800 20 5 DDBDRO C[C@H](O)C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)[C@@H](C)CO ZINC000190812961 200588327 /nfs/dbraw/zinc/58/83/27/200588327.db2.gz QCZUFQJSBNLLME-STQMWFEESA-N 1 0 312.366 1.427 20 5 DDBDRO C[N@@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C[C@H]1CCC[C@H]1O ZINC000611285735 360690047 /nfs/dbraw/zinc/69/00/47/360690047.db2.gz KBFKHTJTMBTQGS-BXUZGUMPSA-N 1 0 322.361 1.959 20 5 DDBDRO COC1CC[NH+](CCNC(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000611528713 360749178 /nfs/dbraw/zinc/74/91/78/360749178.db2.gz QWEXBDOOVDWEJR-UHFFFAOYSA-N 1 0 322.365 1.018 20 5 DDBDRO NC(=O)c1ccnc(NCCCCC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000292805691 223254535 /nfs/dbraw/zinc/25/45/35/223254535.db2.gz NTMMPJBXIXPMTP-UHFFFAOYSA-N 1 0 321.381 1.767 20 5 DDBDRO C[N@H+]1CC=C(CNC(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000271859726 209275034 /nfs/dbraw/zinc/27/50/34/209275034.db2.gz KDOAFRRETUDURR-UHFFFAOYSA-N 1 0 305.334 1.352 20 5 DDBDRO C[NH+]1CC2(C1)CCN(C(=O)COc1ccc([N+](=O)[O-])cc1)C2 ZINC000618921026 363801518 /nfs/dbraw/zinc/80/15/18/363801518.db2.gz MTLMJFSDJFQADG-UHFFFAOYSA-N 1 0 305.334 1.138 20 5 DDBDRO C[NH+]1CC2(C1)CCN(C(=O)CNc1ccccc1[N+](=O)[O-])C2 ZINC000619251888 363945733 /nfs/dbraw/zinc/94/57/33/363945733.db2.gz VCTHECYEEBLDNE-UHFFFAOYSA-N 1 0 304.350 1.171 20 5 DDBDRO Cc1n[nH]c(C(=O)N2CCC[N@H+](CC3CCC3)CC2)c1[N+](=O)[O-] ZINC000619868432 364167679 /nfs/dbraw/zinc/16/76/79/364167679.db2.gz FKUNJIAGCCCKFX-UHFFFAOYSA-N 1 0 321.381 1.574 20 5 DDBDRO C[C@H]1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)[C@H](C[NH3+])C1 ZINC000261904275 203148297 /nfs/dbraw/zinc/14/82/97/203148297.db2.gz WPVRTCWQWZSVGM-AAEUAGOBSA-N 1 0 307.350 1.559 20 5 DDBDRO COc1ccc(CNC(=O)[C@@H]2CC23CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000261926469 203154715 /nfs/dbraw/zinc/15/47/15/203154715.db2.gz JZDOUJUJYGUTLO-LBPRGKRZSA-N 1 0 319.361 1.609 20 5 DDBDRO COCC[NH2+]CCNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000262071900 203190439 /nfs/dbraw/zinc/19/04/39/203190439.db2.gz CLFLWHROQGEPDL-UHFFFAOYSA-N 1 0 307.306 1.307 20 5 DDBDRO COCC[N@@H+]1CC[C@@H](NC(=O)c2cccc(C)c2[N+](=O)[O-])C1 ZINC000264591765 204015520 /nfs/dbraw/zinc/01/55/20/204015520.db2.gz WENAZKIYCPOVTB-GFCCVEGCSA-N 1 0 307.350 1.354 20 5 DDBDRO C[NH+](C)CCCCNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000264889815 204242372 /nfs/dbraw/zinc/24/23/72/204242372.db2.gz JOTUGMSIYQWADP-UHFFFAOYSA-N 1 0 308.382 1.855 20 5 DDBDRO CN(C(=O)CN1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000351472929 284329172 /nfs/dbraw/zinc/32/91/72/284329172.db2.gz BWUYMTUJTUHDIH-GLQYFDAESA-N 1 0 318.377 1.227 20 5 DDBDRO COc1cc(C(=O)N2CCC[N@H+](C)CC2)cc([N+](=O)[O-])c1OC ZINC000266123383 205116596 /nfs/dbraw/zinc/11/65/96/205116596.db2.gz ZMKIYBDDMNZUKR-UHFFFAOYSA-N 1 0 323.349 1.390 20 5 DDBDRO CC[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000271689749 209126972 /nfs/dbraw/zinc/12/69/72/209126972.db2.gz QNXNVEZKIPDSLA-CABCVRRESA-N 1 0 304.350 1.893 20 5 DDBDRO CC(C)[N@@H+]1CCC[C@H](NC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000274520377 211686226 /nfs/dbraw/zinc/68/62/26/211686226.db2.gz SCQLHVBATIRFHN-ZDUSSCGKSA-N 1 0 321.377 1.963 20 5 DDBDRO CCS(=O)(=O)C[C@@H](C)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000579493552 422780168 /nfs/dbraw/zinc/78/01/68/422780168.db2.gz MGRUOAQOXRQWFE-MFKMUULPSA-N 1 0 312.391 1.995 20 5 DDBDRO C[NH+](C)CCCC1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000270903790 248705986 /nfs/dbraw/zinc/70/59/86/248705986.db2.gz AQZGBXOPCCLKHQ-UHFFFAOYSA-N 1 0 323.397 1.372 20 5 DDBDRO Cn1cc([C@@H](CO)[NH2+]CCOc2ccccc2[N+](=O)[O-])cn1 ZINC000274064995 211323931 /nfs/dbraw/zinc/32/39/31/211323931.db2.gz QRDXUSYNAMHMCI-GFCCVEGCSA-N 1 0 306.322 1.030 20 5 DDBDRO COc1ccc(NC(=O)C[NH2+][C@H](C)[C@H]2CCOC2)c([N+](=O)[O-])c1 ZINC000274046680 211304886 /nfs/dbraw/zinc/30/48/86/211304886.db2.gz OZZIDMQYHTVYKQ-MNOVXSKESA-N 1 0 323.349 1.557 20 5 DDBDRO COC(=O)c1cn(CC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)nn1 ZINC000284516779 218061467 /nfs/dbraw/zinc/06/14/67/218061467.db2.gz YVOYIPLYEMAQHW-JTQLQIEISA-N 1 0 319.321 1.324 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000338593848 250046131 /nfs/dbraw/zinc/04/61/31/250046131.db2.gz VDVUSJJYSFGTSV-ZDUSSCGKSA-N 1 0 307.350 1.750 20 5 DDBDRO COC(=O)[C@]12C[N@H+](CCn3ccc([N+](=O)[O-])n3)C[C@H]1CCCC2 ZINC000284765682 218169209 /nfs/dbraw/zinc/16/92/09/218169209.db2.gz MJJLMVOKYNGXAS-IUODEOHRSA-N 1 0 322.365 1.457 20 5 DDBDRO CC[N@H+](CCNC(=O)COc1ccccc1[N+](=O)[O-])C(C)C ZINC000338766974 250127140 /nfs/dbraw/zinc/12/71/40/250127140.db2.gz LMBAJJLULHFZMU-UHFFFAOYSA-N 1 0 309.366 1.820 20 5 DDBDRO C[NH+](C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)c1ccc(F)cc1 ZINC000285081989 218283726 /nfs/dbraw/zinc/28/37/26/218283726.db2.gz MLNAVGBNDINPMV-LBPRGKRZSA-N 1 0 321.312 1.490 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@H](O)C[C@H]1C ZINC000340907086 251269573 /nfs/dbraw/zinc/26/95/73/251269573.db2.gz LEQGREUCZROMJL-DGCLKSJQSA-N 1 0 307.350 1.687 20 5 DDBDRO CCCN(CCN1CC[NH+](CC)CC1)c1ccc([N+](=O)[O-])cn1 ZINC000341046798 251354265 /nfs/dbraw/zinc/35/42/65/251354265.db2.gz SFNASUUEAJQPCD-UHFFFAOYSA-N 1 0 321.425 1.844 20 5 DDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]([NH2+]C)C2)cc1OC ZINC000269111095 207249333 /nfs/dbraw/zinc/24/93/33/207249333.db2.gz DWUXZHMBZGJLOC-JTQLQIEISA-N 1 0 323.349 1.436 20 5 DDBDRO O=[N+]([O-])c1cccc(N2CC[NH+](CCn3cccn3)CC2)c1 ZINC000064141794 184292502 /nfs/dbraw/zinc/29/25/02/184292502.db2.gz MWARSFVZZAGROF-UHFFFAOYSA-N 1 0 301.350 1.614 20 5 DDBDRO COc1ccc(C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)cc1[N+](=O)[O-] ZINC000272944068 210330550 /nfs/dbraw/zinc/33/05/50/210330550.db2.gz MEKOGDSSZPPAPL-NSHDSACASA-N 1 0 319.361 1.984 20 5 DDBDRO Cc1c(C(=O)NCCC[N@@H+](C)CCN(C)C)cccc1[N+](=O)[O-] ZINC000288748097 220389104 /nfs/dbraw/zinc/38/91/04/220389104.db2.gz QKYRFRGFUYGCDO-UHFFFAOYSA-N 1 0 322.409 1.517 20 5 DDBDRO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000157647335 197204336 /nfs/dbraw/zinc/20/43/36/197204336.db2.gz YRNOMQDDUCANHX-KCJUWKMLSA-N 1 0 303.322 1.328 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C)[C@@H](C)CO ZINC000295773167 533138408 /nfs/dbraw/zinc/13/84/08/533138408.db2.gz QBCNEYHXHJEQTH-VHSXEESVSA-N 1 0 311.338 1.148 20 5 DDBDRO COc1ccc(OCC[N@H+](C)[C@H]2CCC[C@@H]2O)c([N+](=O)[O-])c1 ZINC000352659518 285204219 /nfs/dbraw/zinc/20/42/19/285204219.db2.gz NQFRHLXOIABREJ-JSGCOSHPSA-N 1 0 310.350 1.827 20 5 DDBDRO COCC[NH2+]Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000352683642 285223613 /nfs/dbraw/zinc/22/36/13/285223613.db2.gz LAWKNGRIWXPRQB-UHFFFAOYSA-N 1 0 320.292 1.983 20 5 DDBDRO Cc1n[nH]c(C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)c1[N+](=O)[O-] ZINC000289855699 221270840 /nfs/dbraw/zinc/27/08/40/221270840.db2.gz CKBJNBZRDIELAQ-LLVKDONJSA-N 1 0 307.354 1.088 20 5 DDBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000289939613 221330422 /nfs/dbraw/zinc/33/04/22/221330422.db2.gz WAMQLMRNRBMLBF-CHWSQXEVSA-N 1 0 318.377 1.465 20 5 DDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000290257816 221527339 /nfs/dbraw/zinc/52/73/39/221527339.db2.gz XDCVZSCVCHDBCA-OAHLLOKOSA-N 1 0 317.389 1.985 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](CO)[C@H]1CCCOC1 ZINC000414554032 224352642 /nfs/dbraw/zinc/35/26/42/224352642.db2.gz LBYXHWJQGFROJC-VHDGCEQUSA-N 1 0 308.378 1.903 20 5 DDBDRO O=C(CC[NH2+]CCN1CC=CCC1)Nc1ccccc1[N+](=O)[O-] ZINC001120496168 781984297 /nfs/dbraw/zinc/98/42/97/781984297.db2.gz XIRPNSKODZPHSB-UHFFFAOYSA-N 1 0 318.377 1.775 20 5 DDBDRO C[NH+](C)CC1CCC(Nc2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000128136623 195939175 /nfs/dbraw/zinc/93/91/75/195939175.db2.gz CRUBLZWWUOTGBN-UHFFFAOYSA-N 1 0 321.381 1.621 20 5 DDBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000330799325 533389414 /nfs/dbraw/zinc/38/94/14/533389414.db2.gz BUCIWOFYJSZYAG-JTQLQIEISA-N 1 0 321.381 1.374 20 5 DDBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC1(O)CCC1 ZINC000305141661 533448133 /nfs/dbraw/zinc/44/81/33/533448133.db2.gz QHERKAVRMMKGAA-NSHDSACASA-N 1 0 307.350 1.817 20 5 DDBDRO COc1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH3+])cc([N+](=O)[O-])c1C ZINC000424215077 533546591 /nfs/dbraw/zinc/54/65/91/533546591.db2.gz DUESDSRFGKPULP-VXGBXAGGSA-N 1 0 307.350 1.912 20 5 DDBDRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000568966433 304324664 /nfs/dbraw/zinc/32/46/64/304324664.db2.gz ODXMDHVWQTWLDR-FZMZJTMJSA-N 1 0 318.377 1.661 20 5 DDBDRO C[C@H](CCS(C)(=O)=O)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000569000667 304329293 /nfs/dbraw/zinc/32/92/93/304329293.db2.gz MKCKPMAFMXHUEK-ZWNOBZJWSA-N 1 0 312.391 1.995 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCCC[C@H]2C[NH3+])c1 ZINC000569095396 304336390 /nfs/dbraw/zinc/33/63/90/304336390.db2.gz UZEYCZDTISLFIS-GWCFXTLKSA-N 1 0 307.350 1.851 20 5 DDBDRO COc1cc([N+](=O)[O-])c(C(=O)NC[C@H](C)C[NH3+])cc1SC ZINC000237190185 286248293 /nfs/dbraw/zinc/24/82/93/286248293.db2.gz OZUATYWPLOYNBV-MRVPVSSYSA-N 1 0 313.379 1.650 20 5 DDBDRO CCn1c(C)nc([N+](=O)[O-])c1NCCC[NH+]1CCC(O)CC1 ZINC000360948829 299779824 /nfs/dbraw/zinc/77/98/24/299779824.db2.gz DQSZBHDZZPIAFR-UHFFFAOYSA-N 1 0 311.386 1.378 20 5 DDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000361099688 299801570 /nfs/dbraw/zinc/80/15/70/299801570.db2.gz WPFCQEOASGKLJR-GJZGRUSLSA-N 1 0 303.362 1.642 20 5 DDBDRO CC[C@H](O)C[NH+]1CCN(Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000123515008 407330661 /nfs/dbraw/zinc/33/06/61/407330661.db2.gz LBMOEWCCHVPDBI-HNNXBMFYSA-N 1 0 307.394 1.792 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCC1([NH3+])CCCCCC1 ZINC000122366143 407298824 /nfs/dbraw/zinc/29/88/24/407298824.db2.gz KRSVSLUUAXBEBQ-UHFFFAOYSA-N 1 0 323.397 1.658 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000122659942 407307693 /nfs/dbraw/zinc/30/76/93/407307693.db2.gz KSYSPVSSVAQZLG-LLVKDONJSA-N 1 0 309.370 1.090 20 5 DDBDRO C[C@H](O)[C@H]1CCCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000106865791 407363923 /nfs/dbraw/zinc/36/39/23/407363923.db2.gz GPYKWJJWLXWZFD-DUVNUKRYSA-N 1 0 324.377 1.570 20 5 DDBDRO CNC(=O)[C@@H]1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000111263945 407403885 /nfs/dbraw/zinc/40/38/85/407403885.db2.gz CDXXZQWHLZNYHW-GFCCVEGCSA-N 1 0 307.350 1.432 20 5 DDBDRO CSCC[C@@H]([NH3+])C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000151711785 407483156 /nfs/dbraw/zinc/48/31/56/407483156.db2.gz IFGATPLRWSCHPI-SNVBAGLBSA-N 1 0 312.395 1.203 20 5 DDBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)[C@H]1COc2ccccc21 ZINC000185578158 407454130 /nfs/dbraw/zinc/45/41/30/407454130.db2.gz ISNNRCFHLBFJMM-BXUZGUMPSA-N 1 0 302.334 1.946 20 5 DDBDRO CCC(CC)(C[NH3+])C(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000261620139 407555619 /nfs/dbraw/zinc/55/56/19/407555619.db2.gz BTIOFUQUIMRDRC-UHFFFAOYSA-N 1 0 309.366 1.985 20 5 DDBDRO O=C(C[C@@H]1CSCC[NH2+]1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000178753273 407584081 /nfs/dbraw/zinc/58/40/81/407584081.db2.gz BUNQLZDVGIWPKM-SNVBAGLBSA-N 1 0 307.375 1.579 20 5 DDBDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)c2c([N+](=O)[O-])cnn2C)C1 ZINC000128229630 407510727 /nfs/dbraw/zinc/51/07/27/407510727.db2.gz YYTFZCYLYUTHMD-GFCCVEGCSA-N 1 0 323.397 1.426 20 5 DDBDRO COCC[NH2+]CCNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000152289772 407604524 /nfs/dbraw/zinc/60/45/24/407604524.db2.gz RXMSMFSGGHHNKK-UHFFFAOYSA-N 1 0 301.730 1.214 20 5 DDBDRO Cc1ccc(S(=O)(=O)N2C[C@H](C[NH3+])C[C@H]2C)cc1[N+](=O)[O-] ZINC000228073898 407641294 /nfs/dbraw/zinc/64/12/94/407641294.db2.gz CKBKPEJLWPJUFJ-MNOVXSKESA-N 1 0 313.379 1.261 20 5 DDBDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000115443173 407680685 /nfs/dbraw/zinc/68/06/85/407680685.db2.gz RURYAUDFKKENFS-JTQLQIEISA-N 1 0 324.356 1.730 20 5 DDBDRO C[NH2+]C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000178986249 407682481 /nfs/dbraw/zinc/68/24/81/407682481.db2.gz QXDRGYRDPSZGJS-VIFPVBQESA-N 1 0 308.294 1.185 20 5 DDBDRO CC(C)([NH3+])CN1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000261954026 407688911 /nfs/dbraw/zinc/68/89/11/407688911.db2.gz OJDVHPUAMZTIIZ-UHFFFAOYSA-N 1 0 312.395 1.151 20 5 DDBDRO C[C@@]1(C[NH3+])CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000262051017 407726134 /nfs/dbraw/zinc/72/61/34/407726134.db2.gz QYAOXKTYIKLDPZ-AWEZNQCLSA-N 1 0 309.391 1.884 20 5 DDBDRO C[NH+](C)[C@@]1(CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)CCSC1 ZINC000267082933 407741802 /nfs/dbraw/zinc/74/18/02/407741802.db2.gz GVJYRKLDYCNIJY-CQSZACIVSA-N 1 0 324.406 1.344 20 5 DDBDRO C[N@@H+]1CCC[C@H](CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000171756283 407762454 /nfs/dbraw/zinc/76/24/54/407762454.db2.gz XRYWMKUHTBHVAU-CYBMUJFWSA-N 1 0 306.366 1.736 20 5 DDBDRO CC[N@H+](C)C[C@@H]1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000267214647 407793753 /nfs/dbraw/zinc/79/37/53/407793753.db2.gz IALYZZVJWWALTP-NSHDSACASA-N 1 0 306.366 1.472 20 5 DDBDRO CN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])CC1([NH+](C)C)CCC1 ZINC000186929366 407798897 /nfs/dbraw/zinc/79/88/97/407798897.db2.gz UQDNKMAWMQYVEN-UHFFFAOYSA-N 1 0 320.393 1.610 20 5 DDBDRO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000237492862 407821415 /nfs/dbraw/zinc/82/14/15/407821415.db2.gz VYJITDYZRYXCSA-RYUDHWBXSA-N 1 0 306.366 1.369 20 5 DDBDRO C[N@@H+]1CCCN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC1 ZINC000179910004 407842696 /nfs/dbraw/zinc/84/26/96/407842696.db2.gz WRLDSFQKLAIYOK-UHFFFAOYSA-N 1 0 307.306 1.101 20 5 DDBDRO C[C@@H](C[NH3+])NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000262528097 407858690 /nfs/dbraw/zinc/85/86/90/407858690.db2.gz MBUMGJVXRYPECM-ZETCQYMHSA-N 1 0 316.155 1.363 20 5 DDBDRO C[C@@H]1C[N@@H+](CCCCNC(=O)c2ccc([N+](=O)[O-])[nH]2)C[C@H](C)O1 ZINC000268041056 407864976 /nfs/dbraw/zinc/86/49/76/407864976.db2.gz XZQXSYICSFBCFK-TXEJJXNPSA-N 1 0 324.381 1.542 20 5 DDBDRO O=C(CCn1cc([N+](=O)[O-])cn1)NCC[NH2+]C1CCCCCC1 ZINC000238090402 407891000 /nfs/dbraw/zinc/89/10/00/407891000.db2.gz FXMAIIOFARHKDJ-UHFFFAOYSA-N 1 0 323.397 1.610 20 5 DDBDRO NC(=O)c1ccc(C[N@H+](CCCCO)C2CC2)c([N+](=O)[O-])c1 ZINC000118844221 407954429 /nfs/dbraw/zinc/95/44/29/407954429.db2.gz ZWLOPZIZMFWKDT-UHFFFAOYSA-N 1 0 307.350 1.431 20 5 DDBDRO CCOc1ccc(C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)cc1[N+](=O)[O-] ZINC000262891111 407963095 /nfs/dbraw/zinc/96/30/95/407963095.db2.gz WXHCBAXOWIMNLE-CMPLNLGQSA-N 1 0 307.350 1.721 20 5 DDBDRO C[N@@H+]1CC[C@H](CNC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C1 ZINC000272528848 407966231 /nfs/dbraw/zinc/96/62/31/407966231.db2.gz MHBZSHWHVNRPJA-MRVPVSSYSA-N 1 0 321.362 1.281 20 5 DDBDRO Cc1cc(S(=O)(=O)N(C)CC(C)(C)C[NH3+])ccc1[N+](=O)[O-] ZINC000262757331 407916744 /nfs/dbraw/zinc/91/67/44/407916744.db2.gz PSVGRMKHDYTMBH-UHFFFAOYSA-N 1 0 315.395 1.509 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CCC(C3OCCO3)CC2)c1 ZINC000153920205 407933500 /nfs/dbraw/zinc/93/35/00/407933500.db2.gz DROVTNNXWJUQGC-HNNXBMFYSA-N 1 0 322.361 1.713 20 5 DDBDRO C[C@@H](C[NH+]1CCOCC1)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000273038269 408029456 /nfs/dbraw/zinc/02/94/56/408029456.db2.gz FSEFOJCHXOQFQH-ZDUSSCGKSA-N 1 0 321.377 1.222 20 5 DDBDRO O=C(NC[C@H]1CC[NH2+]C1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000273053890 408036600 /nfs/dbraw/zinc/03/66/00/408036600.db2.gz RLNJDJDYKJAIMJ-LBPRGKRZSA-N 1 0 318.377 1.534 20 5 DDBDRO Cc1cc(C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)c(N)c([N+](=O)[O-])c1 ZINC000273069356 408045427 /nfs/dbraw/zinc/04/54/27/408045427.db2.gz ZJJTUTQJSZCCTF-NSHDSACASA-N 1 0 318.377 1.866 20 5 DDBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)COc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000272570168 407988427 /nfs/dbraw/zinc/98/84/27/407988427.db2.gz FTCDKOMRRXAYDK-SWLSCSKDSA-N 1 0 319.361 1.526 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)c1 ZINC000245873363 408087762 /nfs/dbraw/zinc/08/77/62/408087762.db2.gz JUMMQQJTPOKIQI-BFHYXJOUSA-N 1 0 306.366 1.729 20 5 DDBDRO C[C@@H]([NH2+]CC(=O)N1C[C@@H](C)O[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000246065773 408131969 /nfs/dbraw/zinc/13/19/69/408131969.db2.gz RYCBUHZMEQVJRW-JHJVBQTASA-N 1 0 321.377 1.881 20 5 DDBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[N@@H+]2CCC[C@H]2C1 ZINC000246383082 408237905 /nfs/dbraw/zinc/23/79/05/408237905.db2.gz OTVMHRMIFUDWKR-STQMWFEESA-N 1 0 318.377 1.702 20 5 DDBDRO CC[N@H+](CCNC(=O)COc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000263791339 408258374 /nfs/dbraw/zinc/25/83/74/408258374.db2.gz XLGAADRRDHPHRX-UHFFFAOYSA-N 1 0 307.350 1.574 20 5 DDBDRO COc1ccc(OCC[N@@H+]2CC[C@@H](C)[C@H]2CO)c([N+](=O)[O-])c1 ZINC000190401665 408236124 /nfs/dbraw/zinc/23/61/24/408236124.db2.gz SKIBTXCYIIUYPB-BXUZGUMPSA-N 1 0 310.350 1.685 20 5 DDBDRO COc1ccccc1CC[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000176231175 408318207 /nfs/dbraw/zinc/31/82/07/408318207.db2.gz MCVBNXWUWOFUML-UHFFFAOYSA-N 1 0 304.350 1.974 20 5 DDBDRO Cc1c(C(=O)N[C@H]2CCC[C@@H]2C[NH3+])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000157892094 408318847 /nfs/dbraw/zinc/31/88/47/408318847.db2.gz XWJWFNAGJLWFIU-SKDRFNHKSA-N 1 0 322.321 1.669 20 5 DDBDRO C[NH+](C)CCOc1ccc(CNc2ncc([N+](=O)[O-])cn2)cc1 ZINC000273634750 408274933 /nfs/dbraw/zinc/27/49/33/408274933.db2.gz QXPOLFNXKDBDMR-UHFFFAOYSA-N 1 0 317.349 1.937 20 5 DDBDRO C[C@@H](CCNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)[NH+]1CCCCC1 ZINC000182917907 408283055 /nfs/dbraw/zinc/28/30/55/408283055.db2.gz RYXFUGOVBPYYQW-NSHDSACASA-N 1 0 322.365 1.690 20 5 DDBDRO CCOC(=O)[C@@H](CC)N(CCn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000190646636 408296402 /nfs/dbraw/zinc/29/64/02/408296402.db2.gz XOXBEOUQEATHDW-CYBMUJFWSA-N 1 0 310.354 1.597 20 5 DDBDRO C[NH+](C)C[C@H]1CCCN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000263909206 408309235 /nfs/dbraw/zinc/30/92/35/408309235.db2.gz IUAYLAVMSXPHSG-CYBMUJFWSA-N 1 0 320.393 1.949 20 5 DDBDRO C[NH+](C)[C@H]1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000263992824 408338665 /nfs/dbraw/zinc/33/86/65/408338665.db2.gz GYFOSBANXRDVSI-NSHDSACASA-N 1 0 302.334 1.852 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCC[C@H]1CCC[NH2+]1 ZINC000166808231 162169351 /nfs/dbraw/zinc/16/93/51/162169351.db2.gz RXIHYPAGMWOIJR-LLVKDONJSA-N 1 0 313.379 1.324 20 5 DDBDRO CCc1n[nH]c(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000171807612 162242516 /nfs/dbraw/zinc/24/25/16/162242516.db2.gz FWNHPVVADIPLJZ-JTQLQIEISA-N 1 0 307.354 1.191 20 5 DDBDRO Cc1nn(C)c(C(=O)Nc2ccc(OCC[NH3+])cc2)c1[N+](=O)[O-] ZINC000183276120 408366724 /nfs/dbraw/zinc/36/67/24/408366724.db2.gz PDESXAXQGQKBAA-UHFFFAOYSA-N 1 0 319.321 1.227 20 5 DDBDRO CS[C@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000270519343 408559772 /nfs/dbraw/zinc/55/97/72/408559772.db2.gz SKHSNTASQLANEE-KGLIPLIRSA-N 1 0 323.418 1.641 20 5 DDBDRO C[C@]1(O)CCC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000248470449 408573944 /nfs/dbraw/zinc/57/39/44/408573944.db2.gz VCZWPRXSMCASAO-DOMZBBRYSA-N 1 0 310.350 1.181 20 5 DDBDRO C[NH2+]C[C@H]1CCCN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000161225092 408576684 /nfs/dbraw/zinc/57/66/84/408576684.db2.gz VHELNVNKXXGLRX-CYBMUJFWSA-N 1 0 318.377 1.993 20 5 DDBDRO C[C@]1(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)CCC[NH2+]C1 ZINC000161312788 408585987 /nfs/dbraw/zinc/58/59/87/408585987.db2.gz KZQAOTRYJYQFNA-HNNXBMFYSA-N 1 0 306.366 1.513 20 5 DDBDRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)/C=C/c3ccccc3[N+](=O)[O-])C[C@H]12 ZINC000248571122 408589278 /nfs/dbraw/zinc/58/92/78/408589278.db2.gz CQCCNRVJSGRSDT-OYVLTQILSA-N 1 0 301.346 1.804 20 5 DDBDRO C[N@H+]1C[C@H]2CN(C(=O)c3ccc(Cl)cc3[N+](=O)[O-])C[C@H]2C1 ZINC000192527359 408602490 /nfs/dbraw/zinc/60/24/90/408602490.db2.gz JXLJHLUYDCBTEC-AOOOYVTPSA-N 1 0 309.753 1.882 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000248642878 408605168 /nfs/dbraw/zinc/60/51/68/408605168.db2.gz RQRWALTXQOLHDT-BPNCWPANSA-N 1 0 318.377 1.470 20 5 DDBDRO Cc1c(NC(=O)CC[N@@H+]2CC[C@](C)(O)C2)cccc1[N+](=O)[O-] ZINC000177980428 408749573 /nfs/dbraw/zinc/74/95/73/408749573.db2.gz GWYZBSVMSUTXLU-HNNXBMFYSA-N 1 0 307.350 1.689 20 5 DDBDRO C[C@H](O)C[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000281367907 408884272 /nfs/dbraw/zinc/88/42/72/408884272.db2.gz OICSYSOMQITISU-NSHDSACASA-N 1 0 319.365 1.364 20 5 DDBDRO C[C@H](CO)[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C[C@H](C)O ZINC000276184966 408824469 /nfs/dbraw/zinc/82/44/69/408824469.db2.gz KUUOSNRVLYCABC-ZJUUUORDSA-N 1 0 302.758 1.812 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(OC[C@@H](O)C[N@H+](C)C2CC2)c1 ZINC000290780821 408830566 /nfs/dbraw/zinc/83/05/66/408830566.db2.gz MXICEMYAPLZDIB-LBPRGKRZSA-N 1 0 324.333 1.215 20 5 DDBDRO O=C(NCCNc1ccccc1[N+](=O)[O-])[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000280878000 408851161 /nfs/dbraw/zinc/85/11/61/408851161.db2.gz OYYQJXXCGHUNIA-WBMJQRKESA-N 1 0 318.377 1.513 20 5 DDBDRO CNC(=O)c1ccc(N2CC[C@@]3(CC[N@H+](C)C3)C2)c([N+](=O)[O-])c1 ZINC000291614651 408895522 /nfs/dbraw/zinc/89/55/22/408895522.db2.gz AJALGSFWMRNDGH-MRXNPFEDSA-N 1 0 318.377 1.486 20 5 DDBDRO CCN(CCC[NH+](C)C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000189520945 163103940 /nfs/dbraw/zinc/10/39/40/163103940.db2.gz USXKLKUZPDLAFW-UHFFFAOYSA-N 1 0 315.395 1.557 20 5 DDBDRO CC(C)[C@H](CNc1ncc([N+](=O)[O-])s1)N1CC[NH+](C)CC1 ZINC000189683967 163111102 /nfs/dbraw/zinc/11/11/02/163111102.db2.gz AEGKDIVJYIIATC-NSHDSACASA-N 1 0 313.427 1.735 20 5 DDBDRO Cc1cnc(NCCN2CC[N@@H+](C)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000281735020 408919538 /nfs/dbraw/zinc/91/95/38/408919538.db2.gz WLVHAMWPPPOXGG-UHFFFAOYSA-N 1 0 307.398 1.736 20 5 DDBDRO COCCN1CCCN(Cc2ccc([N+](=O)[O-])cc2)CC1=O ZINC000190784182 163158555 /nfs/dbraw/zinc/15/85/55/163158555.db2.gz LRVWKFSYTCJLCX-UHFFFAOYSA-N 1 0 307.350 1.276 20 5 DDBDRO O=[N+]([O-])c1cnc(NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c(Cl)c1 ZINC000227650793 163339074 /nfs/dbraw/zinc/33/90/74/163339074.db2.gz JFLGLJUACKKVPX-MWLCHTKSSA-N 1 0 312.757 1.918 20 5 DDBDRO CC[C@H](C)[N@H+](CCO)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000287310706 409017886 /nfs/dbraw/zinc/01/78/86/409017886.db2.gz JKGPJECJYBQGSE-GXTWGEPZSA-N 1 0 312.366 1.427 20 5 DDBDRO C[C@H]([NH2+][C@H]1CCOC[C@@H]1C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000278017602 409052155 /nfs/dbraw/zinc/05/21/55/409052155.db2.gz WFLGHYFZXJEHGE-MJVIPROJSA-N 1 0 307.350 1.936 20 5 DDBDRO Nc1c(C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)cc(F)cc1[N+](=O)[O-] ZINC000293296865 409084756 /nfs/dbraw/zinc/08/47/56/409084756.db2.gz HNYBXAVSYOSSLP-LDYMZIIASA-N 1 0 308.313 1.140 20 5 DDBDRO Cc1cnc(N(C)CCN2C[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000278808080 409093259 /nfs/dbraw/zinc/09/32/59/409093259.db2.gz ICFWEBPZPBTOGT-BETUJISGSA-N 1 0 308.382 1.844 20 5 DDBDRO C[C@@H](NC(=O)c1cc([N+](=O)[O-])c(F)cc1N)C1=CC[N@H+](C)CC1 ZINC000283246637 409120883 /nfs/dbraw/zinc/12/08/83/409120883.db2.gz UJYXDYAEQRZHCZ-SECBINFHSA-N 1 0 322.340 1.696 20 5 DDBDRO COC[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCCO1 ZINC000279046008 409138964 /nfs/dbraw/zinc/13/89/64/409138964.db2.gz JXKYMGWNARTYRY-ZNMIVQPWSA-N 1 0 310.350 1.412 20 5 DDBDRO COC(=O)C1(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000279102973 409149379 /nfs/dbraw/zinc/14/93/79/409149379.db2.gz CXYZCQWKDIBUJU-UHFFFAOYSA-N 1 0 319.361 1.670 20 5 DDBDRO NC(=O)c1ccc(C[NH2+][C@H]2CCC[C@@H]2CCO)c([N+](=O)[O-])c1 ZINC000279167520 409161684 /nfs/dbraw/zinc/16/16/84/409161684.db2.gz BRFSSMVVFNQKJF-MFKMUULPSA-N 1 0 307.350 1.334 20 5 DDBDRO C[C@@H](CNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1)C[NH+](C)C ZINC000293716516 409167042 /nfs/dbraw/zinc/16/70/42/409167042.db2.gz JOLCAKZMPYRGCA-QMMMGPOBSA-N 1 0 323.378 1.527 20 5 DDBDRO Cc1cccc(C(=O)N[C@@H](CO)C[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000288586646 409170879 /nfs/dbraw/zinc/17/08/79/409170879.db2.gz RZZZOJCVGVRYCN-CYBMUJFWSA-N 1 0 321.377 1.480 20 5 DDBDRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000261896653 163724086 /nfs/dbraw/zinc/72/40/86/163724086.db2.gz GEPHCVVAZINDIR-UWVGGRQHSA-N 1 0 311.769 1.986 20 5 DDBDRO CCC[NH2+][C@@H](C)C(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000295525708 409330050 /nfs/dbraw/zinc/33/00/50/409330050.db2.gz WFGRQZRGEYIIRL-VIFPVBQESA-N 1 0 309.322 1.708 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@H](CO)C2CCCC2)c1 ZINC000289451377 409274884 /nfs/dbraw/zinc/27/48/84/409274884.db2.gz FZFVHMISCZRLNS-GDBMZVCRSA-N 1 0 324.377 1.475 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@H](CO)C2CCCC2)c1 ZINC000289451381 409275010 /nfs/dbraw/zinc/27/50/10/409275010.db2.gz FZFVHMISCZRLNS-GOEBONIOSA-N 1 0 324.377 1.475 20 5 DDBDRO CCC(=O)c1ccc(NC[C@@](C)(O)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000280654123 409396716 /nfs/dbraw/zinc/39/67/16/409396716.db2.gz FVCAFTNNMWTLMY-OAHLLOKOSA-N 1 0 309.366 1.912 20 5 DDBDRO CC[C@@H]([NH3+])CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000295276298 409409509 /nfs/dbraw/zinc/40/95/09/409409509.db2.gz SMSIFOKWYWHHMV-LLVKDONJSA-N 1 0 303.322 1.248 20 5 DDBDRO COc1cc(OCC(=O)N[C@@H](C)CCC[NH3+])ccc1[N+](=O)[O-] ZINC000295295976 409420037 /nfs/dbraw/zinc/42/00/37/409420037.db2.gz USXSHMPZMRSAFJ-JTQLQIEISA-N 1 0 311.338 1.226 20 5 DDBDRO C[N@H+](C[C@H](O)CN1CC(Oc2ccc([N+](=O)[O-])cc2)C1)C1CC1 ZINC000290493129 409421544 /nfs/dbraw/zinc/42/15/44/409421544.db2.gz ABHJPSJNCPVFDR-AWEZNQCLSA-N 1 0 321.377 1.113 20 5 DDBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290501280 409424168 /nfs/dbraw/zinc/42/41/68/409424168.db2.gz ASWZBRGHZRGWAD-NSHDSACASA-N 1 0 321.381 1.399 20 5 DDBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000318746113 164033620 /nfs/dbraw/zinc/03/36/20/164033620.db2.gz YGRJQQHAHLLALN-SNVBAGLBSA-N 1 0 310.329 1.482 20 5 DDBDRO Cn1c(C(=O)NCCC[NH2+]Cc2cccnc2)ccc1[N+](=O)[O-] ZINC000319640888 164037765 /nfs/dbraw/zinc/03/77/65/164037765.db2.gz QMBAWVWOGLABAP-UHFFFAOYSA-N 1 0 317.349 1.238 20 5 DDBDRO CNc1c(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000321888210 164046206 /nfs/dbraw/zinc/04/62/06/164046206.db2.gz RMGHKINCVIRRAP-NEPJUHHUSA-N 1 0 318.377 1.993 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H]2C[N@H+](C)CCN2C)c1 ZINC000322499187 164047109 /nfs/dbraw/zinc/04/71/09/164047109.db2.gz DAYWAOMJMLQIMJ-LBPRGKRZSA-N 1 0 322.365 1.039 20 5 DDBDRO CCOc1ccc(NC(=O)CN(C)C2(CO)CC2)c([N+](=O)[O-])c1 ZINC000285541914 409482721 /nfs/dbraw/zinc/48/27/21/409482721.db2.gz PZZIZOXYCJKZLJ-UHFFFAOYSA-N 1 0 323.349 1.389 20 5 DDBDRO CCCC[N@H+](C)CC1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000285544126 409484586 /nfs/dbraw/zinc/48/45/86/409484586.db2.gz LTFAWMFIKYHEBD-UHFFFAOYSA-N 1 0 323.397 1.902 20 5 DDBDRO CC(C)[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C[C@@H](C)O ZINC000304004249 409560459 /nfs/dbraw/zinc/56/04/59/409560459.db2.gz SHSUFFFAIANROW-GFCCVEGCSA-N 1 0 321.377 1.575 20 5 DDBDRO COC(=O)Cc1ccc(NCC[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000296462074 409570723 /nfs/dbraw/zinc/57/07/23/409570723.db2.gz JJCSQSRURVDWKJ-UHFFFAOYSA-N 1 0 307.350 1.818 20 5 DDBDRO C[C@H]1CC[N@H+](C)CCN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000354001356 409591711 /nfs/dbraw/zinc/59/17/11/409591711.db2.gz OAEONKCSVDAKMX-LBPRGKRZSA-N 1 0 306.366 1.559 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[N@@H+](C)[C@@H](C)[C@H]1C ZINC000357029291 409808168 /nfs/dbraw/zinc/80/81/68/409808168.db2.gz CSFDTOJKCUYDAP-QWHCGFSZSA-N 1 0 320.393 1.866 20 5 DDBDRO C[C@@H]([NH3+])C[C@H](C)Nc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000320314215 409902847 /nfs/dbraw/zinc/90/28/47/409902847.db2.gz KGAGXQLINUQDQH-BDAKNGLRSA-N 1 0 301.368 1.536 20 5 DDBDRO CC(C)[NH+]1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000298339226 410185922 /nfs/dbraw/zinc/18/59/22/410185922.db2.gz MCIDCXCHRRDPNU-UHFFFAOYSA-N 1 0 307.350 1.526 20 5 DDBDRO CC[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@@H](C)CO ZINC000339628530 410341534 /nfs/dbraw/zinc/34/15/34/410341534.db2.gz ZLZULTAGWZBONX-NSHDSACASA-N 1 0 307.350 1.187 20 5 DDBDRO Cc1c(NC(=O)C(=O)NCC(C)(C)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000298607339 410310945 /nfs/dbraw/zinc/31/09/45/410310945.db2.gz PAFLNPXIMVVJLQ-UHFFFAOYSA-N 1 0 322.365 1.298 20 5 DDBDRO C[C@@H]([NH2+]C[C@@H]1CS(=O)(=O)CCO1)c1ccc([N+](=O)[O-])cc1 ZINC000358306749 410445587 /nfs/dbraw/zinc/44/55/87/410445587.db2.gz PXCPMHXRPKVUMB-ZWNOBZJWSA-N 1 0 314.363 1.059 20 5 DDBDRO Cn1nc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000347367527 410498165 /nfs/dbraw/zinc/49/81/65/410498165.db2.gz WVGBEEOSICRMHI-NSHDSACASA-N 1 0 307.354 1.075 20 5 DDBDRO CC[N@@H+]1CCC[C@H]1CNc1ccc([N+](=O)[O-])cc1C(=O)NC ZINC000339883949 410529323 /nfs/dbraw/zinc/52/93/23/410529323.db2.gz GYHVUZSMRQRZGM-LBPRGKRZSA-N 1 0 306.366 1.851 20 5 DDBDRO COc1cc(C(=O)NCC[N@H+](C)C2CC2)cc([N+](=O)[O-])c1C ZINC000359177615 410567391 /nfs/dbraw/zinc/56/73/91/410567391.db2.gz ZBGLJAWKXRQCQV-UHFFFAOYSA-N 1 0 307.350 1.736 20 5 DDBDRO O=[N+]([O-])c1cnc(NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)c(Cl)c1 ZINC000300405247 410644216 /nfs/dbraw/zinc/64/42/16/410644216.db2.gz JFLGLJUACKKVPX-ONGXEEELSA-N 1 0 312.757 1.918 20 5 DDBDRO CCC[NH+]1CCC(Nc2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000301082468 410652307 /nfs/dbraw/zinc/65/23/07/410652307.db2.gz JNKBMONUTPFPBH-UHFFFAOYSA-N 1 0 307.354 1.375 20 5 DDBDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000330586577 410800024 /nfs/dbraw/zinc/80/00/24/410800024.db2.gz LSOFUORHDRJYCT-STQMWFEESA-N 1 0 320.393 1.582 20 5 DDBDRO C[N@@H+]1CCC[C@H]2CN(c3ccc4ncc([N+](=O)[O-])n4n3)CC[C@H]21 ZINC000301965063 410836057 /nfs/dbraw/zinc/83/60/57/410836057.db2.gz NYLVWFLPOBHREF-NWDGAFQWSA-N 1 0 316.365 1.558 20 5 DDBDRO CCOC(=O)c1ccnc(NCC[N@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000348184835 410842565 /nfs/dbraw/zinc/84/25/65/410842565.db2.gz IUSOZJXTNWPYFS-UHFFFAOYSA-N 1 0 308.338 1.673 20 5 DDBDRO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000330640910 410843877 /nfs/dbraw/zinc/84/38/77/410843877.db2.gz QJBGMQCTHWFODB-LLVKDONJSA-N 1 0 324.381 1.088 20 5 DDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000344032848 410908263 /nfs/dbraw/zinc/90/82/63/410908263.db2.gz DXYADTZBPRABOV-BVIHXZOGSA-N 1 0 319.361 1.625 20 5 DDBDRO CC[N@H+](CCCO)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000348349840 410928399 /nfs/dbraw/zinc/92/83/99/410928399.db2.gz XSIOETIFWSUPDB-UHFFFAOYSA-N 1 0 323.349 1.597 20 5 DDBDRO C[C@@H]([NH3+])C[C@@H](C)NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000571560836 304470667 /nfs/dbraw/zinc/47/06/67/304470667.db2.gz HPFCJQXUCAOEFO-HTQZYQBOSA-N 1 0 321.786 1.652 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@H]2CCCOCC2)c1 ZINC000580709892 422949085 /nfs/dbraw/zinc/94/90/85/422949085.db2.gz PXJDAMITKODGJU-JSGCOSHPSA-N 1 0 310.350 1.493 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CC1(CO)COC1)CCCC2 ZINC000417313912 225290960 /nfs/dbraw/zinc/29/09/60/225290960.db2.gz XKNTVXDLVQMDIC-HNNXBMFYSA-N 1 0 306.362 1.961 20 5 DDBDRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1CCc1ccc([N+](=O)[O-])cc1 ZINC000419336574 226121860 /nfs/dbraw/zinc/12/18/60/226121860.db2.gz XHRUDGNGMWGPDC-KGLIPLIRSA-N 1 0 307.394 1.524 20 5 DDBDRO O=[N+]([O-])c1cccc(S(=O)(=O)NCCC[C@@H]2CCC[NH2+]2)c1 ZINC000420455212 226500528 /nfs/dbraw/zinc/50/05/28/226500528.db2.gz ZDFKQMVSJWCDJX-NSHDSACASA-N 1 0 313.379 1.405 20 5 DDBDRO C[C@H]([NH2+][C@H]1CCCN(CCCO)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000297172772 226801391 /nfs/dbraw/zinc/80/13/91/226801391.db2.gz DNRDIGLUKMMXKM-JSGCOSHPSA-N 1 0 322.409 1.674 20 5 DDBDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000176890819 221838876 /nfs/dbraw/zinc/83/88/76/221838876.db2.gz YVDQMDFLVXKOKE-HNNXBMFYSA-N 1 0 323.393 1.610 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000373737043 418454955 /nfs/dbraw/zinc/45/49/55/418454955.db2.gz FMRWXBWBEOBUHG-AEGPPILISA-N 1 0 303.362 1.989 20 5 DDBDRO O=C(COc1cccc([N+](=O)[O-])c1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000373929505 418474667 /nfs/dbraw/zinc/47/46/67/418474667.db2.gz ORJPRKPDEMNBOV-STQMWFEESA-N 1 0 319.361 1.717 20 5 DDBDRO CN(C)c1noc([C@H]2CCCN2CCn2ccc([N+](=O)[O-])n2)n1 ZINC000374518669 418537775 /nfs/dbraw/zinc/53/77/75/418537775.db2.gz HPJFGSWJUIMEQT-SNVBAGLBSA-N 1 0 321.341 1.077 20 5 DDBDRO O=C(NCc1ccccc1[N+](=O)[O-])NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000193200115 222146465 /nfs/dbraw/zinc/14/64/65/222146465.db2.gz KPIQLLVZWKTPMG-LBPRGKRZSA-N 1 0 318.377 1.878 20 5 DDBDRO CC1(NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC[NH2+]CC1 ZINC000193373581 222152148 /nfs/dbraw/zinc/15/21/48/222152148.db2.gz VBMDRNQDTWVQCW-UHFFFAOYSA-N 1 0 303.322 1.343 20 5 DDBDRO CC[N@H+](C[C@@H](C)OC)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000291348790 222330094 /nfs/dbraw/zinc/33/00/94/222330094.db2.gz XQHMJHLNLMXWPD-TZMCWYRMSA-N 1 0 312.366 1.691 20 5 DDBDRO C[NH+](C)CCn1ccc(NC(=O)c2csc([N+](=O)[O-])c2)n1 ZINC000338652570 418620278 /nfs/dbraw/zinc/62/02/78/418620278.db2.gz RAAFEHYAXAIBAG-UHFFFAOYSA-N 1 0 309.351 1.667 20 5 DDBDRO C[C@@H]1COCCN1CC[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375610810 418661289 /nfs/dbraw/zinc/66/12/89/418661289.db2.gz HDTQXXZUGZGHKB-KGLIPLIRSA-N 1 0 323.397 1.149 20 5 DDBDRO C[C@H]1OCC[C@H]1[N@H+](CCO)CCOc1cccc([N+](=O)[O-])c1 ZINC000361587115 418688212 /nfs/dbraw/zinc/68/82/12/418688212.db2.gz UWNFTDBMEYHTSN-IUODEOHRSA-N 1 0 310.350 1.445 20 5 DDBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC(S(N)(=O)=O)CC1 ZINC000361744153 418704824 /nfs/dbraw/zinc/70/48/24/418704824.db2.gz MGWVXCOUINEDQL-JTQLQIEISA-N 1 0 313.379 1.409 20 5 DDBDRO C[C@H]([NH3+])[C@H](C)NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000381423072 418729443 /nfs/dbraw/zinc/72/94/43/418729443.db2.gz AXZWTPMDMQYXBR-BQBZGAKWSA-N 1 0 307.759 1.262 20 5 DDBDRO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)c1ccc([N+](=O)[O-])n1C ZINC000408182338 418791370 /nfs/dbraw/zinc/79/13/70/418791370.db2.gz JJSXAAJFPIDZKI-NWDGAFQWSA-N 1 0 306.366 1.632 20 5 DDBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@](O)(C2CC2)C1 ZINC000365840937 418915355 /nfs/dbraw/zinc/91/53/55/418915355.db2.gz XBJOLLCGFALCMQ-MEDUHNTESA-N 1 0 319.361 1.769 20 5 DDBDRO COC(=O)[C@H]1CN(Cc2c([N+](=O)[O-])ncn2C)CC12CCC2 ZINC000373184762 418930956 /nfs/dbraw/zinc/93/09/56/418930956.db2.gz XKQRDGBDSMYJOL-SNVBAGLBSA-N 1 0 308.338 1.103 20 5 DDBDRO [NH3+]C1(C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)CCOCC1 ZINC000424171611 228240327 /nfs/dbraw/zinc/24/03/27/228240327.db2.gz MJCCFXBNQRSUBJ-UHFFFAOYSA-N 1 0 313.741 1.372 20 5 DDBDRO [NH3+]C1(c2noc(Cn3ccc(=O)c([N+](=O)[O-])c3)n2)CCCCC1 ZINC000424343535 228259643 /nfs/dbraw/zinc/25/96/43/228259643.db2.gz JUMWGRBFARFFJC-UHFFFAOYSA-N 1 0 319.321 1.306 20 5 DDBDRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000424455873 228276494 /nfs/dbraw/zinc/27/64/94/228276494.db2.gz UPZWJHTXHNDICM-ZIAGYGMSSA-N 1 0 306.366 1.706 20 5 DDBDRO C[C@H]1CN(Cc2c(Cl)cccc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000426481027 419483321 /nfs/dbraw/zinc/48/33/21/419483321.db2.gz DKKVTVPHBPZAMK-NSHDSACASA-N 1 0 313.785 1.747 20 5 DDBDRO CN(CC[NH3+])C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000417980565 419446659 /nfs/dbraw/zinc/44/66/59/419446659.db2.gz BGGJYUPZVDOOCX-UHFFFAOYSA-N 1 0 300.746 1.391 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@@]12CCOC2 ZINC000421010950 419448680 /nfs/dbraw/zinc/44/86/80/419448680.db2.gz DBFUSZYEFKYTHY-WFASDCNBSA-N 1 0 308.334 1.199 20 5 DDBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@@H](CO)[C@@H]2CCCOC2)cc1 ZINC000411997313 419552159 /nfs/dbraw/zinc/55/21/59/419552159.db2.gz UIQMMEHJJDYPAU-DOMZBBRYSA-N 1 0 310.350 1.351 20 5 DDBDRO CCOc1cc(C[N@@H+]2CC[C@@H](C(=O)N(C)C)C2)ccc1[N+](=O)[O-] ZINC000411951940 419516719 /nfs/dbraw/zinc/51/67/19/419516719.db2.gz PEZIPJGGACUOIU-CYBMUJFWSA-N 1 0 321.377 1.904 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CCC[N@H+](C)[C@H]1C ZINC000427058709 419589046 /nfs/dbraw/zinc/58/90/46/419589046.db2.gz FIPLTUINBOLBGI-GXFFZTMASA-N 1 0 307.350 1.816 20 5 DDBDRO Cc1ccc(C[NH2+][C@H]2CCc3nnnn3CC2)cc1[N+](=O)[O-] ZINC000421398693 419597693 /nfs/dbraw/zinc/59/76/93/419597693.db2.gz OMUSFQCPXXFFHP-LBPRGKRZSA-N 1 0 302.338 1.384 20 5 DDBDRO C[C@H]([NH3+])c1ccc(CNC(=O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000429470790 228822039 /nfs/dbraw/zinc/82/20/39/228822039.db2.gz FWJVVRKKCOMVRG-JTQLQIEISA-N 1 0 303.322 1.127 20 5 DDBDRO CC(C)[C@@H]([NH3+])CNC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000418418784 419787591 /nfs/dbraw/zinc/78/75/91/419787591.db2.gz YAMRGOKDWNOJHO-ZDUSSCGKSA-N 1 0 308.382 1.762 20 5 DDBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000418414259 419785860 /nfs/dbraw/zinc/78/58/60/419785860.db2.gz ZONXWVMYEAZOHI-ZDUSSCGKSA-N 1 0 306.366 1.516 20 5 DDBDRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000418537993 419865922 /nfs/dbraw/zinc/86/59/22/419865922.db2.gz ACVKBBFSHCWBJK-ABAIWWIYSA-N 1 0 318.377 1.661 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000299434231 229114458 /nfs/dbraw/zinc/11/44/58/229114458.db2.gz YDFBRYVGKYTAMI-UHFFFAOYSA-N 1 0 317.349 1.800 20 5 DDBDRO COc1ccc(CN[C@H](CC[NH3+])C(F)(F)F)cc1[N+](=O)[O-] ZINC000415053027 419922161 /nfs/dbraw/zinc/92/21/61/419922161.db2.gz JEKGVXLLKHBCEN-LLVKDONJSA-N 1 0 307.272 1.973 20 5 DDBDRO CC(C)(NC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccccc1[N+](=O)[O-] ZINC000418667839 419927531 /nfs/dbraw/zinc/92/75/31/419927531.db2.gz HAFMFMUZSDKCNH-IWIIMEHWSA-N 1 0 304.350 1.347 20 5 DDBDRO O=[N+]([O-])c1cccnc1N1CCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000415101725 419943668 /nfs/dbraw/zinc/94/36/68/419943668.db2.gz ICBLQFUBHAMLQU-CYBMUJFWSA-N 1 0 305.382 1.111 20 5 DDBDRO CC(C)(CC[NH3+])NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000422552805 419958721 /nfs/dbraw/zinc/95/87/21/419958721.db2.gz RRQQLVXMBVRGAN-UHFFFAOYSA-N 1 0 315.395 1.184 20 5 DDBDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(Cc2c([N+](=O)[O-])ncn2C)C[C@@H](C)C1 ZINC000429005577 419961232 /nfs/dbraw/zinc/96/12/32/419961232.db2.gz MNMRJNRJCPYETF-UPJWGTAASA-N 1 0 307.398 1.490 20 5 DDBDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000429783438 420047133 /nfs/dbraw/zinc/04/71/33/420047133.db2.gz HRPNUGUWALCABE-OLZOCXBDSA-N 1 0 307.350 1.608 20 5 DDBDRO Cc1c(CC(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000423449153 420053288 /nfs/dbraw/zinc/05/32/88/420053288.db2.gz CCQUURXUXWZFEY-CQSZACIVSA-N 1 0 303.362 1.799 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)CC1CC[NH2+]CC1 ZINC000429963672 420065079 /nfs/dbraw/zinc/06/50/79/420065079.db2.gz BBXBDANEEOANPN-UHFFFAOYSA-N 1 0 307.350 1.609 20 5 DDBDRO Cc1ccc(NC(=O)C(=O)N2C[C@H](C[NH3+])C[C@H]2C)cc1[N+](=O)[O-] ZINC000415531584 420101930 /nfs/dbraw/zinc/10/19/30/420101930.db2.gz VEHKIHLPSGTQNX-MNOVXSKESA-N 1 0 320.349 1.037 20 5 DDBDRO CCOC(=O)c1cc(C(=O)N[C@@H](C)CCC[NH3+])cc([N+](=O)[O-])c1 ZINC000423665600 420119323 /nfs/dbraw/zinc/11/93/23/420119323.db2.gz JZUBMMJTVKBQGF-JTQLQIEISA-N 1 0 323.349 1.629 20 5 DDBDRO C[NH2+][C@H]1CCCN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000420161787 420137268 /nfs/dbraw/zinc/13/72/68/420137268.db2.gz WRJADBHWENVWRJ-NSHDSACASA-N 1 0 303.322 1.833 20 5 DDBDRO C[C@H](C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)C1C[NH2+]C1 ZINC000423717338 420141016 /nfs/dbraw/zinc/14/10/16/420141016.db2.gz AQKUUHRDACDEEV-NSHDSACASA-N 1 0 303.362 1.941 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NCC2=CC[NH2+]CC2)c1 ZINC000423545730 420077776 /nfs/dbraw/zinc/07/77/76/420077776.db2.gz KAWDBFLQIZVQMO-UHFFFAOYSA-N 1 0 305.334 1.643 20 5 DDBDRO COc1cc(C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)cc([N+](=O)[O-])c1C ZINC000423560578 420080772 /nfs/dbraw/zinc/08/07/72/420080772.db2.gz VBXXLLHXPVGBAU-BXKDBHETSA-N 1 0 307.350 1.640 20 5 DDBDRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000415480292 420083693 /nfs/dbraw/zinc/08/36/93/420083693.db2.gz BTQPMBYAUFNIAH-ZDUSSCGKSA-N 1 0 322.365 1.365 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000415492384 420088468 /nfs/dbraw/zinc/08/84/68/420088468.db2.gz BTPSLEHTFAPISW-PWSUYJOCSA-N 1 0 320.349 1.819 20 5 DDBDRO Cc1ccc(NC(=O)C(=O)N2CC[NH2+]C(C)(C)C2)cc1[N+](=O)[O-] ZINC000415820170 420189798 /nfs/dbraw/zinc/18/97/98/420189798.db2.gz AJZOWFTUWIJJBY-UHFFFAOYSA-N 1 0 320.349 1.052 20 5 DDBDRO C[NH2+]C[C@H]1CCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000430915444 420202901 /nfs/dbraw/zinc/20/29/01/420202901.db2.gz CXQYWYUWIZYKLJ-QWHCGFSZSA-N 1 0 320.393 1.772 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CC[C@H](C[NH3+])C1 ZINC000430925375 420209528 /nfs/dbraw/zinc/20/95/28/420209528.db2.gz KXBSXVNKJFWYJG-GHMZBOCLSA-N 1 0 322.365 1.211 20 5 DDBDRO C[NH2+]C[C@H]1CCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000430925091 420209547 /nfs/dbraw/zinc/20/95/47/420209547.db2.gz KDQRVQKSYATVKZ-DOMZBBRYSA-N 1 0 318.377 1.241 20 5 DDBDRO C[C@@](C[NH3+])(NCc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1CC1 ZINC000430587672 420149730 /nfs/dbraw/zinc/14/97/30/420149730.db2.gz ABARLWHIDUGMRK-HNNXBMFYSA-N 1 0 317.349 1.862 20 5 DDBDRO CS(=O)(=O)c1cc([N+](=O)[O-])c(NCC[C@H]2CCC[NH2+]2)s1 ZINC000420231737 420159317 /nfs/dbraw/zinc/15/93/17/420159317.db2.gz AFARLKRIEPEUBS-MRVPVSSYSA-N 1 0 319.408 1.614 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000430636929 420166335 /nfs/dbraw/zinc/16/63/35/420166335.db2.gz ZZKGBZICNGSNNV-GFCCVEGCSA-N 1 0 323.397 1.384 20 5 DDBDRO Cc1c(NC(=O)[C@H](C)N2CC[C@H]([NH3+])[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000430953782 420221495 /nfs/dbraw/zinc/22/14/95/420221495.db2.gz ICXLOIUGAONZAX-DRZSPHRISA-N 1 0 320.393 1.899 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000420344117 420222760 /nfs/dbraw/zinc/22/27/60/420222760.db2.gz SDGFGRQGZKJNBX-RISCZKNCSA-N 1 0 304.350 1.135 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000420410550 420268347 /nfs/dbraw/zinc/26/83/47/420268347.db2.gz XXJSQPGXSWHEOB-MNOVXSKESA-N 1 0 322.365 1.224 20 5 DDBDRO C[C@@H]1CN(CCO)[C@@H](C)CN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000416289729 420306988 /nfs/dbraw/zinc/30/69/88/420306988.db2.gz FVYPLCBYYBZAGA-NWDGAFQWSA-N 1 0 307.350 1.122 20 5 DDBDRO C[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C[C@@H]1C[NH3+] ZINC000420479267 420308359 /nfs/dbraw/zinc/30/83/59/420308359.db2.gz MFSCNNQAKAFIIC-IUCAKERBSA-N 1 0 319.408 1.262 20 5 DDBDRO C[NH+](C)C1(CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC1 ZINC000416291688 420310642 /nfs/dbraw/zinc/31/06/42/420310642.db2.gz PLWUVJJYHINDIM-UHFFFAOYSA-N 1 0 318.377 1.993 20 5 DDBDRO C[C@H]1CCCC[N@@H+]1CCNc1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420591238 420325186 /nfs/dbraw/zinc/32/51/86/420325186.db2.gz XFYVQFMHHMEAGA-NSHDSACASA-N 1 0 306.366 1.980 20 5 DDBDRO CC(C)[C@H]1CN(c2c(C(N)=O)cccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000420613906 420332126 /nfs/dbraw/zinc/33/21/26/420332126.db2.gz UPGZTDIQWAYYGE-CYBMUJFWSA-N 1 0 306.366 1.470 20 5 DDBDRO CCOc1cc(CN2CC[C@H](NC(=O)NC)C2)ccc1[N+](=O)[O-] ZINC000492874499 420696737 /nfs/dbraw/zinc/69/67/37/420696737.db2.gz PQUFSJKTSICSNE-LBPRGKRZSA-N 1 0 322.365 1.497 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)CSc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000453038724 420706387 /nfs/dbraw/zinc/70/63/87/420706387.db2.gz QNEVXAKTFKROCU-RISCZKNCSA-N 1 0 321.402 1.849 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[N@@H+](C[C@H](C)O)C[C@H]2C)n1 ZINC000444830512 420758532 /nfs/dbraw/zinc/75/85/32/420758532.db2.gz WNTPDWJZGCATNH-OLZOCXBDSA-N 1 0 308.382 1.498 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@H](C[NH3+])C[C@H]1C ZINC000442755889 420707683 /nfs/dbraw/zinc/70/76/83/420707683.db2.gz JNCUANNMBPDUTE-NEPJUHHUSA-N 1 0 306.366 1.511 20 5 DDBDRO COc1cc(C[NH2+]C[C@H]2CCC[C@@H]2O)c([N+](=O)[O-])cc1OC ZINC000453634469 420738921 /nfs/dbraw/zinc/73/89/21/420738921.db2.gz SXTLNUFRUSZMHM-MFKMUULPSA-N 1 0 310.350 1.863 20 5 DDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@H]2COCCO2)n1 ZINC000447534756 420780520 /nfs/dbraw/zinc/78/05/20/420780520.db2.gz ZQIMCSXMLMXYNO-YNEHKIRRSA-N 1 0 310.354 1.280 20 5 DDBDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000447816464 420803355 /nfs/dbraw/zinc/80/33/55/420803355.db2.gz KYQMNOQDZMHFPG-GFCCVEGCSA-N 1 0 321.381 1.621 20 5 DDBDRO COc1cc(C[NH2+]CCc2cn(C)cn2)c([N+](=O)[O-])cc1OC ZINC000459651954 420839970 /nfs/dbraw/zinc/83/99/70/420839970.db2.gz BBOCUXSWEDWLRS-UHFFFAOYSA-N 1 0 320.349 1.678 20 5 DDBDRO C[NH+](C)C1(CNC(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000493644472 420905653 /nfs/dbraw/zinc/90/56/53/420905653.db2.gz GCNFHQQPHVIPML-XQRVVYSFSA-N 1 0 307.325 1.958 20 5 DDBDRO O=C(N[C@H]1C[NH2+]CCC1(F)F)c1ccc(F)cc1[N+](=O)[O-] ZINC000449660816 421050527 /nfs/dbraw/zinc/05/05/27/421050527.db2.gz GYUPGXIJTHHQDW-JTQLQIEISA-N 1 0 303.240 1.461 20 5 DDBDRO O=C(N[C@@H]1C[NH2+]CCC1(F)F)c1ccc([N+](=O)[O-])cc1F ZINC000449664577 421051968 /nfs/dbraw/zinc/05/19/68/421051968.db2.gz PWBJPMYMXNBADJ-SNVBAGLBSA-N 1 0 303.240 1.461 20 5 DDBDRO CCOc1cc(C(=O)N[C@@H](C)[C@@H](C)[NH3+])c([N+](=O)[O-])cc1OC ZINC000449597822 421034216 /nfs/dbraw/zinc/03/42/16/421034216.db2.gz ZXGJBYIGMSSOAF-BDAKNGLRSA-N 1 0 311.338 1.468 20 5 DDBDRO C[C@@H]1[C@H](CO)CC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000488725756 421108456 /nfs/dbraw/zinc/10/84/56/421108456.db2.gz BDKBKHIBIKDFHE-NEPJUHHUSA-N 1 0 307.350 1.260 20 5 DDBDRO C[C@H]1C[C@H](C)C[NH+](CCSc2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000565243511 421596992 /nfs/dbraw/zinc/59/69/92/421596992.db2.gz YWSBREKYFUVBDA-UWVGGRQHSA-N 1 0 311.411 2.037 20 5 DDBDRO CNc1nccc(C(=O)N2CCC[C@H]([NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000566448632 421605612 /nfs/dbraw/zinc/60/56/12/421605612.db2.gz BGXXRCSIGMMFBM-NSHDSACASA-N 1 0 321.381 1.588 20 5 DDBDRO C[C@H]1CC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000572301298 421776479 /nfs/dbraw/zinc/77/64/79/421776479.db2.gz ASCGHSFVYGHJLO-LBPRGKRZSA-N 1 0 303.362 1.821 20 5 DDBDRO CC(C)(C)OCC[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000521820996 421799617 /nfs/dbraw/zinc/79/96/17/421799617.db2.gz OMMLFJLLJUANDG-UHFFFAOYSA-N 1 0 308.382 1.927 20 5 DDBDRO CC[NH+](CC)CCOCCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000541752231 421804639 /nfs/dbraw/zinc/80/46/39/421804639.db2.gz MDJBVHRQGXJJEP-UHFFFAOYSA-N 1 0 309.366 1.683 20 5 DDBDRO O=c1onc(-c2ccc([N+](=O)[O-])cc2)n1CC[C@H]1CC[NH2+]C1 ZINC000573962468 422042299 /nfs/dbraw/zinc/04/22/99/422042299.db2.gz GHZGRJHRDWVJSS-SNVBAGLBSA-N 1 0 304.306 1.411 20 5 DDBDRO O=C(NCC[C@H]1CCC[NH2+]1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000574564711 422132978 /nfs/dbraw/zinc/13/29/78/422132978.db2.gz WPBLAQQOPXXBIA-SECBINFHSA-N 1 0 307.306 1.195 20 5 DDBDRO CC[N@@H+]1CCC[C@H](Nc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C1 ZINC000587415712 422313884 /nfs/dbraw/zinc/31/38/84/422313884.db2.gz CXVPGNLHSLTFFC-JTQLQIEISA-N 1 0 317.349 2.140 20 5 DDBDRO O=[N+]([O-])c1ccc(NCC2CC[NH+](C3CCOCC3)CC2)nc1 ZINC000596314807 422374276 /nfs/dbraw/zinc/37/42/76/422374276.db2.gz QXXZNIWIFSXHQD-UHFFFAOYSA-N 1 0 320.393 2.293 20 5 DDBDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000598259940 422395218 /nfs/dbraw/zinc/39/52/18/422395218.db2.gz GNMJIEVSGJPEBL-LLVKDONJSA-N 1 0 321.381 1.422 20 5 DDBDRO CCOCC[C@@H](O)C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000579228183 422727988 /nfs/dbraw/zinc/72/79/88/422727988.db2.gz CFEOJQVHIMYLMD-LLVKDONJSA-N 1 0 308.338 1.348 20 5 DDBDRO Cc1cc(N2C[C@H](CO)[C@H](O)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000317429035 271022403 /nfs/dbraw/zinc/02/24/03/271022403.db2.gz LKIGLMRSWBPABP-MEBBXXQBSA-N 1 0 303.318 1.241 20 5 DDBDRO COc1ccc(C[NH2+][C@H](C)C(=O)N2CCCC2)cc1[N+](=O)[O-] ZINC000341464469 271081846 /nfs/dbraw/zinc/08/18/46/271081846.db2.gz OZSMADLUARRGQS-LLVKDONJSA-N 1 0 307.350 1.704 20 5 DDBDRO COc1cc(C[NH2+]C[C@@H](CO)C(C)C)c([N+](=O)[O-])cc1OC ZINC000342225466 271346093 /nfs/dbraw/zinc/34/60/93/271346093.db2.gz WVRORGIUBYMZMI-LBPRGKRZSA-N 1 0 312.366 1.966 20 5 DDBDRO CC(=O)c1cc(NCC2CC[NH+](CCO)CC2)ccc1[N+](=O)[O-] ZINC000342230709 271346937 /nfs/dbraw/zinc/34/69/37/271346937.db2.gz SXWKORYIVPVHAA-UHFFFAOYSA-N 1 0 321.377 1.914 20 5 DDBDRO COC[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1 ZINC000342352624 271384534 /nfs/dbraw/zinc/38/45/34/271384534.db2.gz YIXNLHLQWMXMHC-AWEZNQCLSA-N 1 0 308.313 1.908 20 5 DDBDRO Cn1c(Sc2ccc([N+](=O)[O-])nc2)nnc1[C@H]1CCC[NH2+]C1 ZINC000344437013 272026653 /nfs/dbraw/zinc/02/66/53/272026653.db2.gz QWILYDCMXOTJNC-VIFPVBQESA-N 1 0 320.378 1.737 20 5 DDBDRO CCCc1n[nH]c(C(=O)NC[C@H]2CCC[N@H+](CC)C2)c1[N+](=O)[O-] ZINC000345573942 272281864 /nfs/dbraw/zinc/28/18/64/272281864.db2.gz VNXGISYBOGFQRD-LLVKDONJSA-N 1 0 323.397 1.732 20 5 DDBDRO C[N@H+](CCNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)C1CC1 ZINC000345660051 272298159 /nfs/dbraw/zinc/29/81/59/272298159.db2.gz RWOOTRNCPRTPGY-UHFFFAOYSA-N 1 0 314.345 1.967 20 5 DDBDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])o2)C[C@@H](C)C1 ZINC000346229193 272439683 /nfs/dbraw/zinc/43/96/83/272439683.db2.gz ROXQSCVDGWXFEA-QJPTWQEYSA-N 1 0 307.350 1.990 20 5 DDBDRO CC(C)[C@@H](CO)[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000156302931 273544884 /nfs/dbraw/zinc/54/48/84/273544884.db2.gz SPSORBXCQDOGTN-CYBMUJFWSA-N 1 0 307.350 1.090 20 5 DDBDRO C[C@@H]1CCN(C(=O)COc2ccccc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000261702206 274298162 /nfs/dbraw/zinc/29/81/62/274298162.db2.gz FPWRZPTWNBHCQE-NEPJUHHUSA-N 1 0 307.350 1.559 20 5 DDBDRO C[C@@H]1C[N@H+](CCO)CCN1c1nccc2cc([N+](=O)[O-])ccc21 ZINC000450953398 274348837 /nfs/dbraw/zinc/34/88/37/274348837.db2.gz KSILNOSYEAUHGU-GFCCVEGCSA-N 1 0 316.361 1.646 20 5 DDBDRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000423587180 274377348 /nfs/dbraw/zinc/37/73/48/274377348.db2.gz DTKPCHGAJFTUPG-MFKMUULPSA-N 1 0 314.345 1.871 20 5 DDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCc3ncnn3C2)c([N+](=O)[O-])c1 ZINC000194396700 275035616 /nfs/dbraw/zinc/03/56/16/275035616.db2.gz JZHHLDLMVDCUEV-JTQLQIEISA-N 1 0 318.293 1.199 20 5 DDBDRO CCCC[C@H]([NH3+])C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000236779037 275985425 /nfs/dbraw/zinc/98/54/25/275985425.db2.gz CEDCRZBQCWMKLF-ZDUSSCGKSA-N 1 0 320.393 1.761 20 5 DDBDRO CCOc1cc(C(=O)N[C@H](C)[C@@H](C)[NH3+])c([N+](=O)[O-])cc1OC ZINC000449597827 276368798 /nfs/dbraw/zinc/36/87/98/276368798.db2.gz ZXGJBYIGMSSOAF-RKDXNWHRSA-N 1 0 311.338 1.468 20 5 DDBDRO CN(C(=O)CCCNc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[NH2+]C1 ZINC000179099421 276731431 /nfs/dbraw/zinc/73/14/31/276731431.db2.gz KFIVEFJWDFANKI-CQSZACIVSA-N 1 0 306.366 1.607 20 5 DDBDRO C[NH2+]C[C@@H]1CCCN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000430568985 277278752 /nfs/dbraw/zinc/27/87/52/277278752.db2.gz HVEJQRKYBVUEHO-AWEZNQCLSA-N 1 0 320.393 1.916 20 5 DDBDRO C[C@@H](C[NH3+])NC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000415658932 277570933 /nfs/dbraw/zinc/57/09/33/277570933.db2.gz RFBSPACODJFFNU-VIFPVBQESA-N 1 0 322.365 1.294 20 5 DDBDRO C[C@@H](C[NH3+])CNC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000418479405 278243861 /nfs/dbraw/zinc/24/38/61/278243861.db2.gz YSVCQVCNMBJUDF-LBPRGKRZSA-N 1 0 321.381 1.021 20 5 DDBDRO Cc1n[nH]c(C(=O)N2CCCC23CC[NH+](C)CC3)c1[N+](=O)[O-] ZINC000408067468 280187660 /nfs/dbraw/zinc/18/76/60/280187660.db2.gz CJMRCJROSMYFFF-UHFFFAOYSA-N 1 0 307.354 1.327 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCCNS(C)(=O)=O ZINC000121207892 281134025 /nfs/dbraw/zinc/13/40/25/281134025.db2.gz DHRXWIBILHPQCU-NSHDSACASA-N 1 0 315.395 1.493 20 5 DDBDRO Cc1c(CC(=O)NC[C@H]2CCC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC000121834977 281145354 /nfs/dbraw/zinc/14/53/54/281145354.db2.gz DCRGXJORCLALAC-CYBMUJFWSA-N 1 0 305.378 1.904 20 5 DDBDRO CN(C)C[C@H](O)C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000130135399 281369193 /nfs/dbraw/zinc/36/91/93/281369193.db2.gz GTVPZKUMVAVMMM-BMFZPTHFSA-N 1 0 321.421 1.818 20 5 DDBDRO C[C@@H]1C[NH2+][C@@H](C)CN1S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000129771967 297113953 /nfs/dbraw/zinc/11/39/53/297113953.db2.gz PKXHEHYMDVYVOM-DTWKUNHWSA-N 1 0 317.342 1.105 20 5 DDBDRO C[C@H](Cn1cccn1)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000354927303 298566505 /nfs/dbraw/zinc/56/65/05/298566505.db2.gz CDEQUGQUYKRJTD-GFCCVEGCSA-N 1 0 317.349 1.798 20 5 DDBDRO Cc1nc(N2CC[NH+]([C@H]3CCSC3)CC2)ccc1[N+](=O)[O-] ZINC000362200657 300027721 /nfs/dbraw/zinc/02/77/21/300027721.db2.gz MYHNTIALLIDRIL-LBPRGKRZSA-N 1 0 308.407 1.926 20 5 DDBDRO COC(=O)C[C@@]1([NH2+]Cc2cccc([N+](=O)[O-])c2C)CCOC1 ZINC000362269886 300039922 /nfs/dbraw/zinc/03/99/22/300039922.db2.gz LHVKNODDQZZIHR-HNNXBMFYSA-N 1 0 308.334 1.715 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000362471779 300072142 /nfs/dbraw/zinc/07/21/42/300072142.db2.gz SSNJAWXJCZQIKV-CQSZACIVSA-N 1 0 321.377 1.505 20 5 DDBDRO O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)[C@H]1C[C@H]1[N+](=O)[O-] ZINC000363616941 300287910 /nfs/dbraw/zinc/28/79/10/300287910.db2.gz YRKJPJBDRCESJV-LSDHHAIUSA-N 1 0 321.352 1.572 20 5 DDBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3N)C[C@@H]21 ZINC000364307974 300373286 /nfs/dbraw/zinc/37/32/86/300373286.db2.gz NTTLXUNWYNSWHL-HZMBPMFUSA-N 1 0 304.350 1.343 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000368372588 301013326 /nfs/dbraw/zinc/01/33/26/301013326.db2.gz AAQINLKPDWBLFN-AWEZNQCLSA-N 1 0 318.377 1.533 20 5 DDBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N[C@H]1CC12CC[NH2+]CC2 ZINC000368382884 301015777 /nfs/dbraw/zinc/01/57/77/301015777.db2.gz BEXNHBBVJOEWED-AWEZNQCLSA-N 1 0 303.362 1.786 20 5 DDBDRO O=C1CC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)[C@H](C2CC2)N1 ZINC000368501061 301042511 /nfs/dbraw/zinc/04/25/11/301042511.db2.gz ZPULKHCNVIASRR-DOMZBBRYSA-N 1 0 307.325 1.881 20 5 DDBDRO NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000368952734 301109403 /nfs/dbraw/zinc/10/94/03/301109403.db2.gz XEMHFXPZGJHAJE-UGFHNGPFSA-N 1 0 319.361 1.559 20 5 DDBDRO C[C@H](CO)[N@@H+]1CCCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000368966166 301113000 /nfs/dbraw/zinc/11/30/00/301113000.db2.gz NLCHNDLEPWJAMO-CZUORRHYSA-N 1 0 323.393 1.017 20 5 DDBDRO CC(C)C[N@@H+]1CCCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000369695124 301213878 /nfs/dbraw/zinc/21/38/78/301213878.db2.gz LDNPLAWWWAAUHD-UHFFFAOYSA-N 1 0 320.393 1.862 20 5 DDBDRO COc1ccc(C[NH2+][C@@H]2CC(=O)N3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000370288651 301310119 /nfs/dbraw/zinc/31/01/19/301310119.db2.gz OMQMPQYJGMOWTK-OLZOCXBDSA-N 1 0 319.361 1.846 20 5 DDBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000375901208 302013204 /nfs/dbraw/zinc/01/32/04/302013204.db2.gz LCRMPXIPYXJENA-WCQYABFASA-N 1 0 304.350 1.689 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC1CCC([NH3+])CC1 ZINC000051693253 302047153 /nfs/dbraw/zinc/04/71/53/302047153.db2.gz ZZOXDHPSAOZWMC-UHFFFAOYSA-N 1 0 313.379 1.451 20 5 DDBDRO C[C@H]1C[C@@H](CO)C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000398742308 302361801 /nfs/dbraw/zinc/36/18/01/302361801.db2.gz WSYVZWMTDHNUPR-WDEREUQCSA-N 1 0 307.350 1.144 20 5 DDBDRO C[C@H]([NH3+])[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000447244193 302395975 /nfs/dbraw/zinc/39/59/75/302395975.db2.gz CKURTMLFCAVFRD-JGVFFNPUSA-N 1 0 305.381 1.014 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000521582313 302876883 /nfs/dbraw/zinc/87/68/83/302876883.db2.gz KJNRHVGNZGYYKU-LLVKDONJSA-N 1 0 308.338 1.819 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000522184807 302886274 /nfs/dbraw/zinc/88/62/74/302886274.db2.gz AQHZIVYSXIUVDB-UHFFFAOYSA-N 1 0 308.382 1.737 20 5 DDBDRO COc1c(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000527243157 302948832 /nfs/dbraw/zinc/94/88/32/302948832.db2.gz WAHOTSIUSVZOKJ-GFCCVEGCSA-N 1 0 319.361 1.914 20 5 DDBDRO C[C@H](O)C[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccccc1 ZINC000531143182 303232540 /nfs/dbraw/zinc/23/25/40/303232540.db2.gz QEXJAYAZUAPYJQ-ZDUSSCGKSA-N 1 0 304.350 1.674 20 5 DDBDRO C[NH+](C)CCOCCNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000538650360 303386135 /nfs/dbraw/zinc/38/61/35/303386135.db2.gz UIPWRTFFNNNZFX-UHFFFAOYSA-N 1 0 309.366 1.222 20 5 DDBDRO CC[NH+](CC)CCOCCNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000544586589 303474702 /nfs/dbraw/zinc/47/47/02/303474702.db2.gz NRTRPTOLIBOWRW-UHFFFAOYSA-N 1 0 324.381 1.265 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]Cc2ccncc2)c1 ZINC000551574696 303633844 /nfs/dbraw/zinc/63/38/44/303633844.db2.gz NCJHJWMVHMVLKR-AWEZNQCLSA-N 1 0 303.318 1.519 20 5 DDBDRO COc1ccc(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000363939921 307038295 /nfs/dbraw/zinc/03/82/95/307038295.db2.gz VKHWGRNMCGBCGF-OLZOCXBDSA-N 1 0 319.361 1.960 20 5 DDBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000364800928 307051489 /nfs/dbraw/zinc/05/14/89/307051489.db2.gz VAQDHQJEYFUBOG-GXTWGEPZSA-N 1 0 318.377 1.607 20 5 DDBDRO Cc1ccc(C(=O)N2CCN([C@@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000366098742 307067002 /nfs/dbraw/zinc/06/70/02/307067002.db2.gz WUCOPTZVKKIRME-CQSZACIVSA-N 1 0 319.361 1.450 20 5 DDBDRO Cc1nccc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)n1 ZINC000373600150 307191560 /nfs/dbraw/zinc/19/15/60/307191560.db2.gz ZYCVQPNXLIHWIJ-UHFFFAOYSA-N 1 0 302.338 1.727 20 5 DDBDRO Cc1cc([N+](=O)[O-])cnc1N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000374220998 307204197 /nfs/dbraw/zinc/20/41/97/307204197.db2.gz TYMFFXVXVZLTPF-AWEZNQCLSA-N 1 0 319.409 1.514 20 5 DDBDRO C[C@@H](CO)[N@@H+]1CCCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000375505426 307227089 /nfs/dbraw/zinc/22/70/89/307227089.db2.gz HBXSXRHXIBEXJV-NSHDSACASA-N 1 0 324.337 1.396 20 5 DDBDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)CNc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000425059414 307301759 /nfs/dbraw/zinc/30/17/59/307301759.db2.gz ROJXDTWQYLIMSY-SWLSCSKDSA-N 1 0 318.377 1.559 20 5 DDBDRO COc1ccc(CC(=O)NCC[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000564836924 308007886 /nfs/dbraw/zinc/00/78/86/308007886.db2.gz OCGZKULCUQHLES-GFCCVEGCSA-N 1 0 307.350 1.404 20 5 DDBDRO Cc1noc(C)c1C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000565268179 308026800 /nfs/dbraw/zinc/02/68/00/308026800.db2.gz KJFKVNVGAKBLTK-GFCCVEGCSA-N 1 0 321.333 1.729 20 5 DDBDRO Cc1cc(N2CC(C)(C(N)=O)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000566160889 308046557 /nfs/dbraw/zinc/04/65/57/308046557.db2.gz REIJNONIBFNZDU-UHFFFAOYSA-N 1 0 300.318 1.763 20 5 DDBDRO Cc1cc(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)on1 ZINC000567681479 308089216 /nfs/dbraw/zinc/08/92/16/308089216.db2.gz SUSYMBMTXONFDB-GFCCVEGCSA-N 1 0 307.306 1.421 20 5 DDBDRO C[N@@H+]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000572375681 308219834 /nfs/dbraw/zinc/21/98/34/308219834.db2.gz SZUIAXPZCLGTBV-UHFFFAOYSA-N 1 0 320.393 1.949 20 5 DDBDRO O=C1NCC[C@@H]1CC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000575192652 308273282 /nfs/dbraw/zinc/27/32/82/308273282.db2.gz JMIKJCRHCFVURF-NEPJUHHUSA-N 1 0 319.365 1.002 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]Cc1ccc(O)cc1 ZINC000576339699 308307579 /nfs/dbraw/zinc/30/75/79/308307579.db2.gz WLEBYKNJAOIODE-AWEZNQCLSA-N 1 0 318.329 1.830 20 5 DDBDRO C[C@@H](C(=O)NC[C@H]1C[N@H+](C)CCN1C)c1cccc([N+](=O)[O-])c1 ZINC000576417989 308313391 /nfs/dbraw/zinc/31/33/91/308313391.db2.gz JABILEHYQLUWAJ-DOMZBBRYSA-N 1 0 320.393 1.060 20 5 DDBDRO Cc1cc(S(=O)(=O)N2CC[C@H]([NH3+])[C@@H]2C)c(C)cc1[N+](=O)[O-] ZINC000577075380 308361265 /nfs/dbraw/zinc/36/12/65/308361265.db2.gz VHWIHPGEQVPTQP-QWRGUYRKSA-N 1 0 313.379 1.322 20 5 DDBDRO C[N@@H+]1CC[C@H](Cn2nc(-c3ccccc3[N+](=O)[O-])oc2=O)C1 ZINC000577371152 308382905 /nfs/dbraw/zinc/38/29/05/308382905.db2.gz QCUXFOWPIWFNHI-JTQLQIEISA-N 1 0 304.306 1.363 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@@H]2CCCC2(F)F)c1 ZINC000390875425 325783803 /nfs/dbraw/zinc/78/38/03/325783803.db2.gz LJEUHTKKLIBBIU-GXSJLCMTSA-N 1 0 304.297 1.177 20 5 DDBDRO C[C@@H](CCCC[NH3+])NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000582421486 336971827 /nfs/dbraw/zinc/97/18/27/336971827.db2.gz FFBDWHIJHQRMOK-VIFPVBQESA-N 1 0 309.322 1.571 20 5 DDBDRO Cc1nccn1CC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000583079348 337236701 /nfs/dbraw/zinc/23/67/01/337236701.db2.gz PUFSOQKOVDZRQL-UHFFFAOYSA-N 1 0 317.349 1.718 20 5 DDBDRO CC(C)([NH3+])c1noc(COc2c(Cl)cncc2[N+](=O)[O-])n1 ZINC000583320212 337315226 /nfs/dbraw/zinc/31/52/26/337315226.db2.gz HMGUQOFIFRAHMQ-UHFFFAOYSA-N 1 0 313.701 1.799 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@H]2CC[C@H](CO)CC2)c1 ZINC000583872163 337365179 /nfs/dbraw/zinc/36/51/79/337365179.db2.gz QVPLZAYQNOOUTO-YDHLFZDLSA-N 1 0 324.377 1.475 20 5 DDBDRO COC(=O)c1cc(C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)cc([N+](=O)[O-])c1 ZINC000423591567 533740411 /nfs/dbraw/zinc/74/04/11/533740411.db2.gz JMSOLGWSOCCESG-NOZJJQNGSA-N 1 0 321.333 1.109 20 5 DDBDRO COc1cc(C[N@H+](C)[C@@H](C)CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000434699914 533790446 /nfs/dbraw/zinc/79/04/46/533790446.db2.gz PCULDAGAXRRPHI-ZDUSSCGKSA-N 1 0 323.393 1.756 20 5 DDBDRO CS[C@@H]1CN(c2ncc([N+](=O)[O-])cc2F)C[C@@H]1[NH+](C)C ZINC000413204633 534012351 /nfs/dbraw/zinc/01/23/51/534012351.db2.gz JGXOEODFTULHRM-WDEREUQCSA-N 1 0 300.359 1.611 20 5 DDBDRO COc1ccc(NC(=O)NC2(C[NH3+])CCCC2)cc1[N+](=O)[O-] ZINC000415442526 534118059 /nfs/dbraw/zinc/11/80/59/534118059.db2.gz QCICZMCPRWZGOY-UHFFFAOYSA-N 1 0 308.338 1.996 20 5 DDBDRO C[C@H](CNS(=O)(=O)c1ccccc1[N+](=O)[O-])C[NH+](C)C ZINC000292624418 534120690 /nfs/dbraw/zinc/12/06/90/534120690.db2.gz MENBDTVFNMVOQY-SNVBAGLBSA-N 1 0 301.368 1.071 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCC[C@H]2CCC[N@H+](C)C2)n1 ZINC000413448065 534245211 /nfs/dbraw/zinc/24/52/11/534245211.db2.gz WIPSJWPFJVCANC-LLVKDONJSA-N 1 0 322.365 1.920 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@@H]1CCc2c1cccc2O ZINC000451180575 534319791 /nfs/dbraw/zinc/31/97/91/534319791.db2.gz TUWQIVJSDCEQRO-CQSZACIVSA-N 1 0 315.329 1.739 20 5 DDBDRO O=C(c1ccc([N+](=O)[O-])o1)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000443870658 534719448 /nfs/dbraw/zinc/71/94/48/534719448.db2.gz VAANIBAOASFFSF-GFCCVEGCSA-N 1 0 323.349 1.515 20 5 DDBDRO COCC[NH+]1CCC(Nc2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000158351915 523816526 /nfs/dbraw/zinc/81/65/26/523816526.db2.gz OHWOULKQNVDRQT-UHFFFAOYSA-N 1 0 320.353 1.160 20 5 DDBDRO CC(C)(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)S(C)(=O)=O ZINC000414510000 527048312 /nfs/dbraw/zinc/04/83/12/527048312.db2.gz DAOSFYFILLOWFZ-UHFFFAOYSA-N 1 0 300.380 1.898 20 5 DDBDRO CC(C)(C(=O)N1CCC[C@H](CC[NH3+])C1)n1cc([N+](=O)[O-])cn1 ZINC000442606932 527506427 /nfs/dbraw/zinc/50/64/27/527506427.db2.gz QMJRLQQEOAPMCS-LLVKDONJSA-N 1 0 309.370 1.114 20 5 DDBDRO CCO[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000452029093 527754802 /nfs/dbraw/zinc/75/48/02/527754802.db2.gz XTLYUFZSELMRNH-FVQBIDKESA-N 1 0 324.377 1.882 20 5 DDBDRO CC(C)[C@H]1C[N@H+](C)CCN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000330973387 527852151 /nfs/dbraw/zinc/85/21/51/527852151.db2.gz KUFMPEPZBBQCFZ-OAHLLOKOSA-N 1 0 320.393 1.805 20 5 DDBDRO CCC[NH+]1CCC(CNc2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000301064770 528189136 /nfs/dbraw/zinc/18/91/36/528189136.db2.gz ATIPSMYSXSJDGK-UHFFFAOYSA-N 1 0 321.381 1.623 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000422877717 528610879 /nfs/dbraw/zinc/61/08/79/528610879.db2.gz IQLXKXUBEICELW-NEPJUHHUSA-N 1 0 319.361 1.960 20 5 DDBDRO CC1(C)COC[C@@H]1[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000451808008 529133583 /nfs/dbraw/zinc/13/35/83/529133583.db2.gz CPPKLJLCAMWUMS-RISCZKNCSA-N 1 0 310.350 1.349 20 5 DDBDRO C[C@H](CNc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000736024923 598522573 /nfs/dbraw/zinc/52/25/73/598522573.db2.gz CIPURFGQGBRUNO-SECBINFHSA-N 1 0 317.353 1.670 20 5 DDBDRO C[N@H+]1CC=C(CNc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000826023091 608587136 /nfs/dbraw/zinc/58/71/36/608587136.db2.gz XCSBFCSEXSPGGU-UHFFFAOYSA-N 1 0 315.337 1.449 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H]1CCCC[NH2+]C1 ZINC000070120858 696387271 /nfs/dbraw/zinc/38/72/71/696387271.db2.gz HENXEZPWDWYKFE-NSHDSACASA-N 1 0 313.379 1.324 20 5 DDBDRO CC[NH+](CC)[C@H](C)CNS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000119525876 696681830 /nfs/dbraw/zinc/68/18/30/696681830.db2.gz XVLOKPBOMFHTNU-SECBINFHSA-N 1 0 321.424 1.665 20 5 DDBDRO C[NH+](C)C[C@@H]1CCN(Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000153150236 696910446 /nfs/dbraw/zinc/91/04/46/696910446.db2.gz WRIVFZWEAOKMMS-LBPRGKRZSA-N 1 0 303.366 1.786 20 5 DDBDRO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C[C@H](C)[NH2+]1 ZINC000153492512 696916563 /nfs/dbraw/zinc/91/65/63/696916563.db2.gz QZECBQHPLKTJRD-QWRGUYRKSA-N 1 0 306.366 1.483 20 5 DDBDRO COC(=O)[C@@H](C)C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153920745 696923519 /nfs/dbraw/zinc/92/35/19/696923519.db2.gz WOEMMHMHEKODFY-NHYWBVRUSA-N 1 0 322.361 1.902 20 5 DDBDRO Cc1nn(CN2CC[C@@H](C[NH+]3CCOCC3)C2)c(C)c1[N+](=O)[O-] ZINC000172935822 697373646 /nfs/dbraw/zinc/37/36/46/697373646.db2.gz ADXVKJGQELSQLX-AWEZNQCLSA-N 1 0 323.397 1.020 20 5 DDBDRO COCCO[C@@H]1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000179333388 697436369 /nfs/dbraw/zinc/43/63/69/697436369.db2.gz SYZLMZACQIPKTC-CVEARBPZSA-N 1 0 324.377 1.756 20 5 DDBDRO COCC(=O)N1CCC([N@H+](C)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000985189318 697465002 /nfs/dbraw/zinc/46/50/02/697465002.db2.gz LHYFLXGDPJELNL-UHFFFAOYSA-N 1 0 321.377 1.664 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)NC[C@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000194731297 697719044 /nfs/dbraw/zinc/71/90/44/697719044.db2.gz VDNBNMMSYIWDFL-LLVKDONJSA-N 1 0 322.321 1.635 20 5 DDBDRO CN(CCC[NH+](C)C)C(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000775817121 698041413 /nfs/dbraw/zinc/04/14/13/698041413.db2.gz BBHKYHPRFZVEJP-UHFFFAOYSA-N 1 0 323.349 1.196 20 5 DDBDRO C[C@@H](C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[NH+](C)C ZINC000750015509 700198860 /nfs/dbraw/zinc/19/88/60/700198860.db2.gz WXUJVMKJKQOKKC-LBPRGKRZSA-N 1 0 306.366 1.194 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCC[C@H](C3OCCO3)C2)cc1 ZINC000776582958 698121614 /nfs/dbraw/zinc/12/16/14/698121614.db2.gz XSCFOWVCVMUPSE-ZFWWWQNUSA-N 1 0 322.361 1.713 20 5 DDBDRO COC(=O)[C@@H]1C[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000776590431 698123525 /nfs/dbraw/zinc/12/35/25/698123525.db2.gz DNNCWUIJMPFJST-HONMWMINSA-N 1 0 308.334 1.369 20 5 DDBDRO CC(C)C(=O)NCC[N@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776596662 698124698 /nfs/dbraw/zinc/12/46/98/698124698.db2.gz HKDQJZHPLPYYDN-CQSZACIVSA-N 1 0 309.366 1.332 20 5 DDBDRO O=C1OCC[C@@H]1CC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000246983604 698358848 /nfs/dbraw/zinc/35/88/48/698358848.db2.gz QAGWSUMBXJLCBW-NWDGAFQWSA-N 1 0 320.349 1.429 20 5 DDBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NCC1C[NH2+]C1 ZINC000261937056 698445988 /nfs/dbraw/zinc/44/59/88/698445988.db2.gz FTXGOZQMPGBTOX-UHFFFAOYSA-N 1 0 313.741 1.353 20 5 DDBDRO Cc1nn(CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000779867136 698476391 /nfs/dbraw/zinc/47/63/91/698476391.db2.gz DRUCNQFOVCFCGZ-UMVBOHGHSA-N 1 0 323.397 1.241 20 5 DDBDRO CN1CCN(C)[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000783628718 698861979 /nfs/dbraw/zinc/86/19/79/698861979.db2.gz LSDHOPSENFJARQ-GFCCVEGCSA-N 1 0 312.801 1.584 20 5 DDBDRO C[NH+](C)CCn1cc(NC(=O)c2cc([N+](=O)[O-])ccc2F)cn1 ZINC000727316773 699410073 /nfs/dbraw/zinc/41/00/73/699410073.db2.gz JEUSPMXDGXXFLY-UHFFFAOYSA-N 1 0 321.312 1.744 20 5 DDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[N@H+](C)[C@H](C)C1 ZINC000761067603 700838067 /nfs/dbraw/zinc/83/80/67/700838067.db2.gz FYWYKDJWQKISFF-VXGBXAGGSA-N 1 0 306.366 1.558 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[N@H+](C)[C@@H](C)C1 ZINC000761079111 700840618 /nfs/dbraw/zinc/84/06/18/700840618.db2.gz PSULDHKXYGXESO-LBPRGKRZSA-N 1 0 306.366 1.478 20 5 DDBDRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000764072515 700959756 /nfs/dbraw/zinc/95/97/56/700959756.db2.gz CGSTYVYSCYFVFQ-UHFFFAOYSA-N 1 0 317.349 1.652 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@@H](O)C3CC3)CC2)cc1 ZINC000809739272 701684581 /nfs/dbraw/zinc/68/45/81/701684581.db2.gz DZJRWVVCIJLFJW-MRXNPFEDSA-N 1 0 305.378 1.924 20 5 DDBDRO C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839718435 701795786 /nfs/dbraw/zinc/79/57/86/701795786.db2.gz POWFVVJUBHXFIP-SJXGUFTOSA-N 1 0 317.389 1.773 20 5 DDBDRO C[C@@]1([NH3+])CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C1 ZINC000868073826 701926778 /nfs/dbraw/zinc/92/67/78/701926778.db2.gz VNKXQHLAHUTXCI-MRXNPFEDSA-N 1 0 318.377 1.758 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(N(C)CC[NH+]2CC3(C2)CCOCC3)n1 ZINC000866256978 706659205 /nfs/dbraw/zinc/65/92/05/706659205.db2.gz DKUFNFBASRTSMN-UHFFFAOYSA-N 1 0 320.393 1.847 20 5 DDBDRO CNC(=O)[C@@H]1CC[N@H+](Cn2nc(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000817370097 702356387 /nfs/dbraw/zinc/35/63/87/702356387.db2.gz GTDSQGRWKGPMSZ-LLVKDONJSA-N 1 0 317.349 1.278 20 5 DDBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC(=O)NCC(F)F ZINC000866351146 706679166 /nfs/dbraw/zinc/67/91/66/706679166.db2.gz MYMWXDIHCJWXAR-QMMMGPOBSA-N 1 0 319.283 1.636 20 5 DDBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)NC[C@H]1CCC[NH2+]1 ZINC000841854570 702588208 /nfs/dbraw/zinc/58/82/08/702588208.db2.gz CBHBIYPHFUFSLU-SNVBAGLBSA-N 1 0 312.757 1.799 20 5 DDBDRO C[NH2+]C[C@H](C)c1noc(COc2ccc([N+](=O)[O-])c(OC)c2)n1 ZINC000842583096 702736553 /nfs/dbraw/zinc/73/65/53/702736553.db2.gz QZGITAOTWYQANZ-VIFPVBQESA-N 1 0 322.321 1.888 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCc1nc([C@@H]2CCC[NH2+]C2)no1 ZINC000842667090 702753426 /nfs/dbraw/zinc/75/34/26/702753426.db2.gz GDZNQMGMEYIIFT-SNVBAGLBSA-N 1 0 306.326 1.192 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N(C)C2C[NH2+]C2)c1 ZINC000842866519 702784896 /nfs/dbraw/zinc/78/48/96/702784896.db2.gz DJOJJAXJGILJFM-UHFFFAOYSA-N 1 0 319.770 1.149 20 5 DDBDRO CS[C@H](CO)[C@H](C)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843083820 702815878 /nfs/dbraw/zinc/81/58/78/702815878.db2.gz RMHCGGQZZHGBHD-ZWKOPEQDSA-N 1 0 300.380 1.330 20 5 DDBDRO Cc1cc(-c2noc(C[C@H]3C[NH2+]CCO3)n2)cc([N+](=O)[O-])c1 ZINC000843239013 702847905 /nfs/dbraw/zinc/84/79/05/702847905.db2.gz CUUWGLHMLXDXOS-LBPRGKRZSA-N 1 0 304.306 1.484 20 5 DDBDRO C[NH2+]CCCN(C)C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000843501021 702895632 /nfs/dbraw/zinc/89/56/32/702895632.db2.gz GZPCVKIVUDAIGR-UHFFFAOYSA-N 1 0 310.310 1.493 20 5 DDBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000843508098 702897027 /nfs/dbraw/zinc/89/70/27/702897027.db2.gz PXIBJVFJZUUQJP-NXEZZACHSA-N 1 0 305.338 1.187 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)c1 ZINC000844448729 703032894 /nfs/dbraw/zinc/03/28/94/703032894.db2.gz GSFHVDIUPZWQGM-RTXFEEFZSA-N 1 0 314.288 1.531 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1-c1noc([C@@H](N)CC[NH+](C)C)n1 ZINC000844907870 703083152 /nfs/dbraw/zinc/08/31/52/703083152.db2.gz BJXSEELPCYVLCE-LBPRGKRZSA-N 1 0 305.338 1.905 20 5 DDBDRO C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000848476233 703554513 /nfs/dbraw/zinc/55/45/13/703554513.db2.gz ZOARBRGZRZFJLY-DTORHVGOSA-N 1 0 319.408 1.275 20 5 DDBDRO O=C1O[C@@H](C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CN1C1CC1 ZINC000848677638 703574674 /nfs/dbraw/zinc/57/46/74/703574674.db2.gz FHLIKWFNDDRVCR-UONOGXRCSA-N 1 0 321.333 1.201 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)CN[C@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000818959294 704035221 /nfs/dbraw/zinc/03/52/21/704035221.db2.gz HQCBESFHOLHNNH-ARFHVFGLSA-N 1 0 305.378 1.845 20 5 DDBDRO Cn1cc([N+](=O)[O-])c(C(=O)N2CCC3(CC2)CC[NH+](C)CC3)n1 ZINC000870507840 704064960 /nfs/dbraw/zinc/06/49/60/704064960.db2.gz HLODETCQOAOBAL-UHFFFAOYSA-N 1 0 321.381 1.276 20 5 DDBDRO CC(C)N1CC[C@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1=O ZINC000819072427 704065464 /nfs/dbraw/zinc/06/54/64/704065464.db2.gz LIWLAENWAZPNHM-KBPBESRZSA-N 1 0 307.350 1.227 20 5 DDBDRO CC[C@H](C[NH+](C)C)OC(=O)CCn1nc(C)c([N+](=O)[O-])c1C ZINC000870551817 704074502 /nfs/dbraw/zinc/07/45/02/704074502.db2.gz RBECLMUNQMACOV-GFCCVEGCSA-N 1 0 312.370 1.682 20 5 DDBDRO CCNC(=O)C(C)(C)C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819183101 704082809 /nfs/dbraw/zinc/08/28/09/704082809.db2.gz TZFSXKIDORIFEC-ZDUSSCGKSA-N 1 0 309.366 1.380 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H]2CCO[C@]3(CCOC3)C2)cc1 ZINC000819203166 704085733 /nfs/dbraw/zinc/08/57/33/704085733.db2.gz GSNQNEPUNBWFOE-FVQBIDKESA-N 1 0 322.361 1.556 20 5 DDBDRO [NH3+]C[C@@H]1CC(C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)=NO1 ZINC000852883369 704159875 /nfs/dbraw/zinc/15/98/75/704159875.db2.gz JRUFOYCKHBCYHH-LBPRGKRZSA-N 1 0 318.333 1.189 20 5 DDBDRO CC(C)[C@H]([NH3+])CCNC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000852917844 704171856 /nfs/dbraw/zinc/17/18/56/704171856.db2.gz RPHZYUPXCXHRKA-GFCCVEGCSA-N 1 0 313.329 1.602 20 5 DDBDRO COC(=O)c1ccnc(NCC[N@@H+]2CCC[C@H]2C)c1[N+](=O)[O-] ZINC000856733290 704535921 /nfs/dbraw/zinc/53/59/21/704535921.db2.gz WCRYVEJSIIWMFC-SNVBAGLBSA-N 1 0 308.338 1.673 20 5 DDBDRO CC(C)([NH3+])CNC(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857768265 704623164 /nfs/dbraw/zinc/62/31/64/704623164.db2.gz NYKBITMRSMXSDC-UHFFFAOYSA-N 1 0 303.265 1.420 20 5 DDBDRO C[NH+](C)CCCS(=O)(=O)Oc1ccc([N+](=O)[O-])c(F)c1F ZINC000867345803 706968574 /nfs/dbraw/zinc/96/85/74/706968574.db2.gz UOZKDXKEFUQLSK-UHFFFAOYSA-N 1 0 324.305 1.533 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@](O)(c3ccccc3)C2)n1 ZINC000859585812 704943659 /nfs/dbraw/zinc/94/36/59/704943659.db2.gz CYNLNNOECVNSAF-MRXNPFEDSA-N 1 0 316.361 1.775 20 5 DDBDRO COC[C@]1(c2nc(-c3ccc(N)c([N+](=O)[O-])c3)no2)CC[NH2+]C1 ZINC000822635430 704993445 /nfs/dbraw/zinc/99/34/45/704993445.db2.gz ZNYOFUKISFDTIX-AWEZNQCLSA-N 1 0 319.321 1.105 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2C[C@@H]3CCC[C@]3(CO)C2)cc1 ZINC000859924611 705042561 /nfs/dbraw/zinc/04/25/61/705042561.db2.gz MLZGCFTWNYKWNT-CWRNSKLLSA-N 1 0 306.362 1.723 20 5 DDBDRO Cc1cc(C(=O)NC[C@]2(C)CCC[NH2+]C2)c(N)c([N+](=O)[O-])c1 ZINC000834474678 707062594 /nfs/dbraw/zinc/06/25/94/707062594.db2.gz DCNBTWQTICKYCF-OAHLLOKOSA-N 1 0 306.366 1.605 20 5 DDBDRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000874845928 705200885 /nfs/dbraw/zinc/20/08/85/705200885.db2.gz YUROPSXLQFQSHA-GJZGRUSLSA-N 1 0 319.361 1.669 20 5 DDBDRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000823921378 705340175 /nfs/dbraw/zinc/34/01/75/705340175.db2.gz UMZFTHANCXTZGX-JGZJWPJOSA-N 1 0 307.354 1.639 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[N@@H+](C)[C@@H](C(C)(C)C)C1 ZINC000824221299 705402468 /nfs/dbraw/zinc/40/24/68/705402468.db2.gz FRPCMBBPWOBEGM-GFCCVEGCSA-N 1 0 323.397 1.288 20 5 DDBDRO CNC(=O)C[C@@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000825068926 705592928 /nfs/dbraw/zinc/59/29/28/705592928.db2.gz ZKLYXLAYXVMKLZ-GFCCVEGCSA-N 1 0 320.393 1.678 20 5 DDBDRO [NH3+]C[C@H]1CC[C@@H](NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000825196535 705622360 /nfs/dbraw/zinc/62/23/60/705622360.db2.gz IHGUYJBFSVCJCD-VHSXEESVSA-N 1 0 311.313 1.356 20 5 DDBDRO CC[N@H+](CCNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000825682717 705713883 /nfs/dbraw/zinc/71/38/83/705713883.db2.gz BHPMLWLCTXRDFF-AWEZNQCLSA-N 1 0 307.350 1.229 20 5 DDBDRO C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000876613052 705784337 /nfs/dbraw/zinc/78/43/37/705784337.db2.gz HEGILEJJHNPIHP-KXAWDHGWSA-N 1 0 303.362 1.665 20 5 DDBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876658414 705806303 /nfs/dbraw/zinc/80/63/03/705806303.db2.gz VSCKUCPIRFXHDP-ZBFHGGJFSA-N 1 0 319.361 1.622 20 5 DDBDRO C[C@@H]([NH3+])CN(C)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000863566016 705959686 /nfs/dbraw/zinc/95/96/86/705959686.db2.gz AAPUYMBQICOVBO-RKDXNWHRSA-N 1 0 314.773 1.854 20 5 DDBDRO Cc1cc(C(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)c(N)c([N+](=O)[O-])c1 ZINC000827312339 705973492 /nfs/dbraw/zinc/97/34/92/705973492.db2.gz UNMORWJSMQSIBG-WCQYABFASA-N 1 0 318.377 1.652 20 5 DDBDRO C[N@@H+]1CC[C@H]2CN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)CC[C@H]21 ZINC000827320513 705975048 /nfs/dbraw/zinc/97/50/48/705975048.db2.gz RZBLQYDYIYZJMY-IINYFYTJSA-N 1 0 307.325 1.900 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]Cc3ccon3)CC2)cn1 ZINC000877075542 705977239 /nfs/dbraw/zinc/97/72/39/705977239.db2.gz FXBWFMCPGPXDCW-UHFFFAOYSA-N 1 0 303.322 1.736 20 5 DDBDRO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1c(F)cccc1[N+](=O)[O-] ZINC000877245642 706032151 /nfs/dbraw/zinc/03/21/51/706032151.db2.gz HTZLGNXIHFQNIR-JGPRNRPPSA-N 1 0 307.325 1.994 20 5 DDBDRO COc1ccc(CC(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)cc1[N+](=O)[O-] ZINC000877279691 706046506 /nfs/dbraw/zinc/04/65/06/706046506.db2.gz FAAGZKFYPLOWSV-QWHCGFSZSA-N 1 0 319.361 1.499 20 5 DDBDRO CC[N@@H+]1CCN(c2ccc(CC(=O)OC)cc2[N+](=O)[O-])C[C@H]1C ZINC000827808258 706070344 /nfs/dbraw/zinc/07/03/44/706070344.db2.gz XULJHHRWXLKRDA-GFCCVEGCSA-N 1 0 321.377 1.841 20 5 DDBDRO COC(=O)C1=CC[C@@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000877650657 706170045 /nfs/dbraw/zinc/17/00/45/706170045.db2.gz CMTKUADZCOQTBL-VOMCLLRMSA-N 1 0 306.322 1.346 20 5 DDBDRO COC(=O)[C@]12C[C@H]1C[C@H]([NH2+]C1CC(n3cc([N+](=O)[O-])cn3)C1)C2 ZINC000877723610 706190287 /nfs/dbraw/zinc/19/02/87/706190287.db2.gz MPORBWXRXYTARW-MEMFXLKMSA-N 1 0 320.349 1.426 20 5 DDBDRO CN1CC[NH+](C2CCN(Cc3csc([N+](=O)[O-])c3)CC2)CC1 ZINC000877747398 706197441 /nfs/dbraw/zinc/19/74/41/706197441.db2.gz KBYKTLQJOXRIQO-UHFFFAOYSA-N 1 0 324.450 1.868 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@H](C(C)(C)O)C2)c1 ZINC000877836273 706227621 /nfs/dbraw/zinc/22/76/21/706227621.db2.gz SDDYOFMDYWTCHF-ZDUSSCGKSA-N 1 0 322.361 1.974 20 5 DDBDRO COC(=O)CC[C@@H]1CCC[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000880042640 706861929 /nfs/dbraw/zinc/86/19/29/706861929.db2.gz FOEFXJZKMMDECH-ZDUSSCGKSA-N 1 0 324.381 1.765 20 5 DDBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000832450857 706916946 /nfs/dbraw/zinc/91/69/46/706916946.db2.gz POVCLOHFRFQGCJ-LSDHHAIUSA-N 1 0 321.377 1.619 20 5 DDBDRO C[C@@H]([NH2+]C[C@@H]1CCCCN1CCO)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834850955 707138808 /nfs/dbraw/zinc/13/88/08/707138808.db2.gz RFZKTDLRDVPFTF-OCCSQVGLSA-N 1 0 322.409 1.674 20 5 DDBDRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2c1nc2ccccn2c1[N+](=O)[O-] ZINC000872781393 707597982 /nfs/dbraw/zinc/59/79/82/707597982.db2.gz SNOOOTIVEXZASB-RYUDHWBXSA-N 1 0 301.350 1.915 20 5 DDBDRO Cn1cc([N+](=O)[O-])c(C(=O)OCC[N@H+](C)Cc2ccccc2)n1 ZINC000837611524 707695606 /nfs/dbraw/zinc/69/56/06/707695606.db2.gz DHNZIYUOGOUIEI-UHFFFAOYSA-N 1 0 318.333 1.617 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1CNC[C@@H](O)C[NH+]1CCCC1 ZINC000873020390 707697032 /nfs/dbraw/zinc/69/70/32/707697032.db2.gz QSKPZOCAXJUUEA-CQSZACIVSA-N 1 0 307.394 1.758 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1CNC[C@H](O)C[NH+]1CCCC1 ZINC000873020389 707697385 /nfs/dbraw/zinc/69/73/85/707697385.db2.gz QSKPZOCAXJUUEA-AWEZNQCLSA-N 1 0 307.394 1.758 20 5 DDBDRO Cc1c(C[NH2+]C[C@@H]2CCCCN2CCO)cccc1[N+](=O)[O-] ZINC000873129992 707742521 /nfs/dbraw/zinc/74/25/21/707742521.db2.gz XMWJEOOPMSKYRE-HNNXBMFYSA-N 1 0 307.394 1.840 20 5 DDBDRO CC[C@@H]1COCCN1CC[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000873190095 707761504 /nfs/dbraw/zinc/76/15/04/707761504.db2.gz ZCVCAGHHDOOHBS-CQSZACIVSA-N 1 0 323.393 1.804 20 5 DDBDRO COc1ccc(C[NH2+][C@H]2C[C@H](S(C)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000883379354 707988525 /nfs/dbraw/zinc/98/85/25/707988525.db2.gz YDEMXCSFNASHJC-XYPYZODXSA-N 1 0 314.363 1.269 20 5 DDBDRO C[C@H](CNC(=O)NC[C@@H]1CC[N@@H+]1C)c1ccccc1[N+](=O)[O-] ZINC000896619909 708099006 /nfs/dbraw/zinc/09/90/06/708099006.db2.gz OMGMOUBJDIKLFS-NEPJUHHUSA-N 1 0 306.366 1.702 20 5 DDBDRO COc1cc(N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)ccc1[N+](=O)[O-] ZINC000897221296 708259346 /nfs/dbraw/zinc/25/93/46/708259346.db2.gz KYGCWZGFLOFPIZ-KGLIPLIRSA-N 1 0 321.377 1.639 20 5 DDBDRO C[NH+](C)CCCOC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000912592599 713041166 /nfs/dbraw/zinc/04/11/66/713041166.db2.gz QLXHKLWYNUKWAY-UHFFFAOYSA-N 1 0 323.349 1.210 20 5 DDBDRO O=[N+]([O-])c1ncccc1C[NH2+][C@@H](C1CC1)[C@@]1(CO)CCCO1 ZINC000886220491 708717829 /nfs/dbraw/zinc/71/78/29/708717829.db2.gz IYLRSIPCUXLGHA-ZFWWWQNUSA-N 1 0 307.350 1.400 20 5 DDBDRO C[NH2+]C1(CNC(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CCC1 ZINC000899149634 709001041 /nfs/dbraw/zinc/00/10/41/709001041.db2.gz CQJJLYHLJRVLFS-KBPBESRZSA-N 1 0 303.362 1.957 20 5 DDBDRO CCC1([NH+]2CCC2)CCN(C(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC000899558754 709112012 /nfs/dbraw/zinc/11/20/12/709112012.db2.gz XUIDAJMGWVKULU-UHFFFAOYSA-N 1 0 321.381 1.419 20 5 DDBDRO CN(CC(C)(C)C[NH+](C)C)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000890883304 710020691 /nfs/dbraw/zinc/02/06/91/710020691.db2.gz QQBABYNGQAORGA-UHFFFAOYSA-N 1 0 308.382 1.837 20 5 DDBDRO C[C@@H]1CCC[N@@H+]1CCNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000893267418 710583026 /nfs/dbraw/zinc/58/30/26/710583026.db2.gz YWGHRFYNGJDSBJ-CYBMUJFWSA-N 1 0 320.393 1.921 20 5 DDBDRO CCOC(=O)c1ccnc(N2CC[C@@H]3C[N@H+](C)C[C@H]32)c1[N+](=O)[O-] ZINC000893941815 710894989 /nfs/dbraw/zinc/89/49/89/710894989.db2.gz WWXPVMKHDVDUOZ-ZYHUDNBSSA-N 1 0 320.349 1.307 20 5 DDBDRO C[NH2+]C[C@@H]1CCN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000911773609 710977256 /nfs/dbraw/zinc/97/72/56/710977256.db2.gz DRUIDLIPLCXWKP-NSHDSACASA-N 1 0 309.341 1.734 20 5 DDBDRO COC(=O)[C@H]1[C@H](C[NH2+]CCc2ccccc2[N+](=O)[O-])C1(F)F ZINC000894299705 711057380 /nfs/dbraw/zinc/05/73/80/711057380.db2.gz PXAFRCKLHVQKOH-CMPLNLGQSA-N 1 0 314.288 1.781 20 5 DDBDRO COc1cc([C@H](C)[NH2+]C[C@H]2COCCN2C)cc([N+](=O)[O-])c1 ZINC000903205857 711063707 /nfs/dbraw/zinc/06/37/07/711063707.db2.gz GHJGRCVSMAXDFW-FZMZJTMJSA-N 1 0 309.366 1.585 20 5 DDBDRO [NH3+]C1CC(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000911974285 711098523 /nfs/dbraw/zinc/09/85/23/711098523.db2.gz UYFOCIYRAVIPEW-UHFFFAOYSA-N 1 0 318.377 1.371 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H]1CC[NH2+]C12CCC2 ZINC000903465538 711134965 /nfs/dbraw/zinc/13/49/65/711134965.db2.gz JUCCEVVFUOCVSO-AWEZNQCLSA-N 1 0 318.377 1.716 20 5 DDBDRO COc1cc([N+](=O)[O-])cnc1NCCN(C)CCC[NH+](C)C ZINC000894520775 711161199 /nfs/dbraw/zinc/16/11/99/711161199.db2.gz FARQZUCVIHOCGT-UHFFFAOYSA-N 1 0 311.386 1.294 20 5 DDBDRO [NH3+][C@H]1CN(CCn2cc([N+](=O)[O-])cn2)CC[C@H]1C(F)(F)F ZINC000903540064 711179093 /nfs/dbraw/zinc/17/90/93/711179093.db2.gz MEYFLMSUYCEWBX-ZJUUUORDSA-N 1 0 307.276 1.003 20 5 DDBDRO C[NH2+]CCN(C(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000903589568 711212564 /nfs/dbraw/zinc/21/25/64/711212564.db2.gz XOWIGAHFNVGRIG-UHFFFAOYSA-N 1 0 315.395 1.522 20 5 DDBDRO Nc1ccc(N[C@H]2CCC[N@@H+]3CCSC[C@H]23)nc1[N+](=O)[O-] ZINC000895567635 711544476 /nfs/dbraw/zinc/54/44/76/711544476.db2.gz GFEKGOCBMAVIJC-WDEREUQCSA-N 1 0 309.395 1.564 20 5 DDBDRO COCC[N@@H+]1CC[C@H](NC(=O)c2c(C)c(C)ccc2[N+](=O)[O-])C1 ZINC000896257519 711697236 /nfs/dbraw/zinc/69/72/36/711697236.db2.gz GSUBNGXWRSUAPB-ZDUSSCGKSA-N 1 0 321.377 1.662 20 5 DDBDRO O=C(CCOc1ccccc1[N+](=O)[O-])NC12CC[NH+](CC1)C2 ZINC000913629275 713272156 /nfs/dbraw/zinc/27/21/56/713272156.db2.gz VRUBVMNKPJGYIZ-UHFFFAOYSA-N 1 0 305.334 1.328 20 5 DDBDRO Cc1cc(C(=O)N2CCC(O)(C[NH+](C)C)CC2)cc([N+](=O)[O-])c1 ZINC000913681005 713280111 /nfs/dbraw/zinc/28/01/11/713280111.db2.gz MHRQHTDNWYRUSJ-UHFFFAOYSA-N 1 0 321.377 1.432 20 5 DDBDRO COc1cc(CN[C@@H]2C[NH2+]CC2(C)C)c([N+](=O)[O-])cc1OC ZINC000904462102 711860760 /nfs/dbraw/zinc/86/07/60/711860760.db2.gz HJFSXRFJIMHHCF-CQSZACIVSA-N 1 0 309.366 1.700 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1COC2(CCC2)C1 ZINC000905450670 712041099 /nfs/dbraw/zinc/04/10/99/712041099.db2.gz IETJWYGEYOGFSV-QWHCGFSZSA-N 1 0 322.361 1.636 20 5 DDBDRO C[C@H](C[NH2+]C[C@@H](O)C1(O)CCCC1)c1ccccc1[N+](=O)[O-] ZINC000905645404 712105395 /nfs/dbraw/zinc/10/53/95/712105395.db2.gz YBSSZDVTUXFQAV-IUODEOHRSA-N 1 0 308.378 1.954 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)c1 ZINC000905659335 712109232 /nfs/dbraw/zinc/10/92/32/712109232.db2.gz PZYIJCMTIQRVSR-JWTRZGPZSA-N 1 0 320.345 1.100 20 5 DDBDRO O=C(CC[NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)Nc1ccccc1[N+](=O)[O-] ZINC000905659066 712109363 /nfs/dbraw/zinc/10/93/63/712109363.db2.gz OEZFLGZDMFTESV-IQBNQATKSA-N 1 0 317.345 1.689 20 5 DDBDRO COc1cc(Cn2cc(C[NH2+]C(C)C)nn2)c([N+](=O)[O-])cc1F ZINC000905809586 712152484 /nfs/dbraw/zinc/15/24/84/712152484.db2.gz ZNLPPDLMLRVBDX-UHFFFAOYSA-N 1 0 323.328 1.880 20 5 DDBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCN(C)C1 ZINC000906525209 712346742 /nfs/dbraw/zinc/34/67/42/712346742.db2.gz KYYLDKMQAIURTE-WCQYABFASA-N 1 0 306.366 1.606 20 5 DDBDRO C[N@@H+]1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC12CCCCC2 ZINC000908573920 712811177 /nfs/dbraw/zinc/81/11/77/712811177.db2.gz VWKAVXJQXJRJOK-UHFFFAOYSA-N 1 0 307.354 1.408 20 5 DDBDRO CC(C)(C)OC(=O)NCCC1CC[NH+](CC[N+](=O)[O-])CC1 ZINC000930861620 713944437 /nfs/dbraw/zinc/94/44/37/713944437.db2.gz BAZAIXQQRGAUSC-UHFFFAOYSA-N 1 0 301.387 1.890 20 5 DDBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000931043937 713989798 /nfs/dbraw/zinc/98/97/98/713989798.db2.gz RSFAHQQADZNCLV-YGRLFVJLSA-N 1 0 303.366 1.996 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@H]([NH+](C)C)[C@H]1C ZINC000931045690 713990083 /nfs/dbraw/zinc/99/00/83/713990083.db2.gz QFAPQQDJDHOTRW-OLZOCXBDSA-N 1 0 320.393 1.866 20 5 DDBDRO C[C@@H]1[C@@H]([NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CCN1C ZINC000922556756 714087987 /nfs/dbraw/zinc/08/79/87/714087987.db2.gz JKTKCGRYKMGLSF-PWSUYJOCSA-N 1 0 307.350 1.548 20 5 DDBDRO C[C@@H]([NH2+]C[C@H](C)CS(C)(=O)=O)c1ccc([N+](=O)[O-])cc1 ZINC000932179742 714280223 /nfs/dbraw/zinc/28/02/23/714280223.db2.gz LWJBFQCKWVKZOC-WDEREUQCSA-N 1 0 300.380 1.926 20 5 DDBDRO CCCN(C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000923288279 714298600 /nfs/dbraw/zinc/29/86/00/714298600.db2.gz ZMPDGZKYQPYBKU-UONOGXRCSA-N 1 0 323.393 1.408 20 5 DDBDRO CCCN(C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000923288277 714298704 /nfs/dbraw/zinc/29/87/04/714298704.db2.gz ZMPDGZKYQPYBKU-KBPBESRZSA-N 1 0 323.393 1.408 20 5 DDBDRO C[C@@H]1CN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H](C)[NH2+]1 ZINC000923288131 714298812 /nfs/dbraw/zinc/29/88/12/714298812.db2.gz ZQOPOLUQTXGOMM-JHJVBQTASA-N 1 0 309.366 1.017 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC[C@H]3C[NH2+]C[C@H]32)c1 ZINC000923361345 714327706 /nfs/dbraw/zinc/32/77/06/714327706.db2.gz PCACHPICMXERHE-DUVNUKRYSA-N 1 0 321.377 1.018 20 5 DDBDRO C[C@@H]1[NH2+]C[C@H](C)N(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000923441730 714356802 /nfs/dbraw/zinc/35/68/02/714356802.db2.gz JUMRJNMTTWHIRF-AVGNSLFASA-N 1 0 320.393 1.628 20 5 DDBDRO CSCC1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000932592115 714363736 /nfs/dbraw/zinc/36/37/36/714363736.db2.gz NOCGBCQJCBGHNJ-CYBMUJFWSA-N 1 0 314.411 1.227 20 5 DDBDRO CN(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000923589191 714419537 /nfs/dbraw/zinc/41/95/37/714419537.db2.gz OCFCDDSPPAJQKX-LBPRGKRZSA-N 1 0 313.379 1.108 20 5 DDBDRO NC(=O)C12CCC(CC1)[N@@H+]2CCCOc1ccc([N+](=O)[O-])cc1 ZINC000932930543 714439398 /nfs/dbraw/zinc/43/93/98/714439398.db2.gz CLHGXDZXMIJFIJ-UHFFFAOYSA-N 1 0 319.361 1.846 20 5 DDBDRO NC(=O)[C@]12CCC[C@H]1C[N@H+](CCc1ccc([N+](=O)[O-])cc1)C2 ZINC000933756312 714665077 /nfs/dbraw/zinc/66/50/77/714665077.db2.gz SHEFGWGIUFBGDN-BBRMVZONSA-N 1 0 303.362 1.725 20 5 DDBDRO CO[C@@H]1CC[C@H]1[N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000934117985 714746173 /nfs/dbraw/zinc/74/61/73/714746173.db2.gz QWTYMKBEIMBFFC-YRGRVCCFSA-N 1 0 310.350 1.444 20 5 DDBDRO CO[C@@H]1CC[C@@H]1[N@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000934131116 714751540 /nfs/dbraw/zinc/75/15/40/714751540.db2.gz KBRRFIBMVMTPOZ-AEGPPILISA-N 1 0 310.350 1.444 20 5 DDBDRO CO[C@@H]1CC[C@H]1[N@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000934131119 714751577 /nfs/dbraw/zinc/75/15/77/714751577.db2.gz KBRRFIBMVMTPOZ-NWANDNLSSA-N 1 0 310.350 1.444 20 5 DDBDRO C[NH+](C)C1CC(NC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000935829504 715131276 /nfs/dbraw/zinc/13/12/76/715131276.db2.gz JXBSFVVXJAOCJN-RIXNLZLZSA-N 1 0 303.362 1.907 20 5 DDBDRO O=C(N[C@@H]1[C@H]2C[N@H+](CCC3CCCC3)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025778044 736849540 /nfs/dbraw/zinc/84/95/40/736849540.db2.gz PNDSMKGJUUBJDJ-QMIVOQANSA-N 1 0 307.394 1.278 20 5 DDBDRO C[N@H+](Cc1ccccc1)C1CN(c2cc(N)c([N+](=O)[O-])cn2)C1 ZINC001120931191 782241820 /nfs/dbraw/zinc/24/18/20/782241820.db2.gz DWHPTDQANAUNBR-UHFFFAOYSA-N 1 0 313.361 1.893 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@@H](NC(=O)C2CCCC2)C1 ZINC001021762752 733524161 /nfs/dbraw/zinc/52/41/61/733524161.db2.gz MENPGLBTDKUHAP-TXEJJXNPSA-N 1 0 321.381 1.255 20 5 DDBDRO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cc(F)cc([N+](=O)[O-])c3)[C@H]2C1 ZINC001121199297 782406055 /nfs/dbraw/zinc/40/60/55/782406055.db2.gz NWIVISKYVGODAB-QCZZGDTMSA-N 1 0 307.325 1.804 20 5 DDBDRO Cc1nsc(C)c1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001022063951 734368169 /nfs/dbraw/zinc/36/81/69/734368169.db2.gz QNABSTYGPUJQLK-LSCVPOLPSA-N 1 0 324.406 1.162 20 5 DDBDRO O=C(N[C@H]1C[C@@H]([NH2+]CCc2ccccc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001022063698 734368293 /nfs/dbraw/zinc/36/82/93/734368293.db2.gz HYCAIANXMRTFIT-LXTVHRRPSA-N 1 0 303.362 1.131 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(C(=O)Nc2ccn(CC[NH+](C)C)n2)n1 ZINC001125582397 734691780 /nfs/dbraw/zinc/69/17/80/734691780.db2.gz VCBBMQMLHQWANN-UHFFFAOYSA-N 1 0 318.337 1.309 20 5 DDBDRO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3[N+](=O)[O-])C[C@H]21)C(F)F ZINC001025643818 736807662 /nfs/dbraw/zinc/80/76/62/736807662.db2.gz DWXYNLGOHLFKFW-IAZYJMLFSA-N 1 0 311.288 1.406 20 5 DDBDRO O=[N+]([O-])c1cccc2cnc(NCC[NH+]3CCSCC3)nc21 ZINC001167837425 738998091 /nfs/dbraw/zinc/99/80/91/738998091.db2.gz MXGMXVZBRNNEFY-UHFFFAOYSA-N 1 0 319.390 1.999 20 5 DDBDRO COC(=O)[C@@H](CCC[NH3+])Nc1ccc2c(n1)[nH]cc2[N+](=O)[O-] ZINC001167896134 739197843 /nfs/dbraw/zinc/19/78/43/739197843.db2.gz UQRDDOSBMHQNLP-SECBINFHSA-N 1 0 307.310 1.164 20 5 DDBDRO COC(=O)[C@@H](CCC[NH3+])Nc1cc([N+](=O)[O-])cc2cc[nH]c21 ZINC001167899571 739211182 /nfs/dbraw/zinc/21/11/82/739211182.db2.gz OFXFZGFZVHMFQP-LLVKDONJSA-N 1 0 306.322 1.769 20 5 DDBDRO C[NH+](C)[C@H]1C[C@@H](NC(=O)c2ccc(N)c([N+](=O)[O-])c2)C12CCC2 ZINC001168330480 742191831 /nfs/dbraw/zinc/19/18/31/742191831.db2.gz TZZYOBNCNVOKHB-KGLIPLIRSA-N 1 0 318.377 1.780 20 5 DDBDRO Cc1c[nH]nc1C(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001126852018 742379358 /nfs/dbraw/zinc/37/93/58/742379358.db2.gz JNXFHGQWPRQFQB-UHFFFAOYSA-N 1 0 303.322 1.146 20 5 DDBDRO O=C(NCc1ccc2c[nH+]cn2c1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC001183669131 743878941 /nfs/dbraw/zinc/87/89/41/743878941.db2.gz ADEREEVVDCUMIY-UHFFFAOYSA-N 1 0 313.273 1.273 20 5 DDBDRO O=C(NC1C[NH+](CCC2CCCCCC2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001030294052 744027370 /nfs/dbraw/zinc/02/73/70/744027370.db2.gz VRPVNEYAFHWNER-HUUCEWRRSA-N 1 0 309.410 1.813 20 5 DDBDRO O=C(C[NH+]1CCCC1)NC1CN(Cc2csc([N+](=O)[O-])c2)C1 ZINC001031389146 746730116 /nfs/dbraw/zinc/73/01/16/746730116.db2.gz CTBBYBPEYIJWQX-UHFFFAOYSA-N 1 0 324.406 1.053 20 5 DDBDRO Cc1ccc(CC[NH+]2CC(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cc1 ZINC001031661769 747336290 /nfs/dbraw/zinc/33/62/90/747336290.db2.gz HXFZXUWXDQLBJN-HZPDHXFCSA-N 1 0 317.389 1.251 20 5 DDBDRO O=C(NCC1C[NH+](CCC2=CCCCC2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001031663117 747338644 /nfs/dbraw/zinc/33/86/44/747338644.db2.gz VCNAOFJAZOZROM-HUUCEWRRSA-N 1 0 307.394 1.590 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCCNS(C)(=O)=O ZINC001199110321 747715471 /nfs/dbraw/zinc/71/54/71/747715471.db2.gz LRULWKSAEPULGW-UHFFFAOYSA-N 1 0 315.395 1.241 20 5 DDBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc(F)nc1 ZINC001124937363 748679480 /nfs/dbraw/zinc/67/94/80/748679480.db2.gz VFTDDKVUIRTWNP-UHFFFAOYSA-N 1 0 318.308 1.649 20 5 DDBDRO Cc1ccc(NC/C=C/CNC(=O)CC[NH+](C)C)c([N+](=O)[O-])c1 ZINC001107489924 750045269 /nfs/dbraw/zinc/04/52/69/750045269.db2.gz MWOVLAHKAVQRCS-SNAWJCMRSA-N 1 0 320.393 1.939 20 5 DDBDRO [NH3+][C@@H]1CCc2nn(-c3nc4c(cc3[N+](=O)[O-])CCCC4)cc2C1 ZINC001168811695 762045563 /nfs/dbraw/zinc/04/55/63/762045563.db2.gz MSZZRRVTVJVBRR-GFCCVEGCSA-N 1 0 313.361 1.870 20 5 DDBDRO O=C1Nc2ccccc2CC[C@@H]1[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168984364 762152174 /nfs/dbraw/zinc/15/21/74/762152174.db2.gz MKKWKUYFDPKKQT-WHOFXGATSA-N 1 0 303.362 1.975 20 5 DDBDRO CCOC(=O)CN1CCC([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168992965 762166872 /nfs/dbraw/zinc/16/68/72/762166872.db2.gz LWDBXBCEQFGLHQ-TZMCWYRMSA-N 1 0 313.398 1.049 20 5 DDBDRO CCc1nnc2ccc(C[NH2+][C@@H]3CC[C@@H](C[N+](=O)[O-])C3)cn21 ZINC001168994061 762167961 /nfs/dbraw/zinc/16/79/61/762167961.db2.gz OIMRHECMUMDUQI-DGCLKSJQSA-N 1 0 303.366 1.827 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCN(CC3CCOCC3)C2)C1 ZINC001168997112 762169462 /nfs/dbraw/zinc/16/94/62/762169462.db2.gz XUICQBTYDQSSRB-BZUAXINKSA-N 1 0 311.426 1.522 20 5 DDBDRO COCCOc1nccc(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)n1 ZINC001168997122 762169994 /nfs/dbraw/zinc/16/99/94/762169994.db2.gz BOOLHECJYZTLIX-NWDGAFQWSA-N 1 0 310.354 1.037 20 5 DDBDRO O=C(N[C@H]1CC[C@H]([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1)C1CC1 ZINC001168997872 762170163 /nfs/dbraw/zinc/17/01/63/762170163.db2.gz GCROBWZZWRJODV-MXAVVETBSA-N 1 0 309.410 1.859 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CN(c3ccccc3)CCO2)C1 ZINC001168988131 762180630 /nfs/dbraw/zinc/18/06/30/762180630.db2.gz OGAPTOARRRQJFF-HLLBOEOZSA-N 1 0 319.405 1.927 20 5 DDBDRO O=C(c1cccnc1)N1CC[C@@H]([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168990637 762182233 /nfs/dbraw/zinc/18/22/33/762182233.db2.gz CWJMAFLTZGNNPT-BPLDGKMQSA-N 1 0 318.377 1.331 20 5 DDBDRO CC(=O)N1CCCC[C@]12CC[N@@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169030351 762186751 /nfs/dbraw/zinc/18/67/51/762186751.db2.gz YYQFHTZRXZOLFS-ARFHVFGLSA-N 1 0 309.410 1.909 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2C[C@@H]3CN(c4ncccn4)C[C@H]3C2)C1 ZINC001169018404 762199234 /nfs/dbraw/zinc/19/92/34/762199234.db2.gz BDAIJUPTLOVRLH-TUVASFSCSA-N 1 0 317.393 1.290 20 5 DDBDRO C[NH+](C)C[C@H]1Cn2ccnc2CN([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169021794 762201283 /nfs/dbraw/zinc/20/12/83/762201283.db2.gz QQBPWGMYTYQJOU-ILXRZTDVSA-N 1 0 321.425 1.322 20 5 DDBDRO COC[C@H]1Cn2nccc2C[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169026721 762203411 /nfs/dbraw/zinc/20/34/11/762203411.db2.gz NLIUFLOZFOOPOV-MGPQQGTHSA-N 1 0 308.382 1.407 20 5 DDBDRO CCNC(=O)COC1CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169051322 762206793 /nfs/dbraw/zinc/20/67/93/762206793.db2.gz DFKDOKMZXHCYRR-OLZOCXBDSA-N 1 0 313.398 1.049 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCN(c3ncccc3F)CC2)C1 ZINC001169056895 762211318 /nfs/dbraw/zinc/21/13/18/762211318.db2.gz UBZKGSNXPBLPRB-OLZOCXBDSA-N 1 0 308.357 1.788 20 5 DDBDRO [NH3+][C@@H](CO)Cc1cncn1-c1cc([N+](=O)[O-])cc2cc[nH]c21 ZINC001169073162 762220400 /nfs/dbraw/zinc/22/04/00/762220400.db2.gz AUQHKUMTMWPPHF-SNVBAGLBSA-N 1 0 301.306 1.124 20 5 DDBDRO Cc1c(C[NH2+]CCCCS(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000822045217 758188539 /nfs/dbraw/zinc/18/85/39/758188539.db2.gz HTEFSJDHJFHUTB-UHFFFAOYSA-N 1 0 300.380 1.818 20 5 DDBDRO Cc1ccc(C)c(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c1 ZINC001020138860 760612937 /nfs/dbraw/zinc/61/29/37/760612937.db2.gz FHLCJGYUEJEFAD-KLHDSHLOSA-N 1 0 317.389 1.705 20 5 DDBDRO CN(c1cc([N+](=O)[O-])cc(Cl)[n+]1[O-])[C@@]1(C)CCC[NH2+]C1 ZINC001156968681 764233114 /nfs/dbraw/zinc/23/31/14/764233114.db2.gz WJIWRQODRZAAKE-LBPRGKRZSA-N 1 0 300.746 1.460 20 5 DDBDRO COc1ccc(C[C@H](C)[NH2+][C@@H]2CCOC[C@H]2OC)c([N+](=O)[O-])c1 ZINC001170309356 766259313 /nfs/dbraw/zinc/25/93/13/766259313.db2.gz QGFWVPLISBWFSR-SGIREYDYSA-N 1 0 324.377 1.928 20 5 DDBDRO COc1ccc(C[C@@H](C)[N@@H+]2CC[C@@H](C(N)=O)C2)c([N+](=O)[O-])c1 ZINC001170347547 766278219 /nfs/dbraw/zinc/27/82/19/766278219.db2.gz RTRXKOKQNNSVKK-ZYHUDNBSSA-N 1 0 307.350 1.342 20 5 DDBDRO [NH3+][C@H]1CN(c2nc(Cl)cc(Cl)c2[N+](=O)[O-])CC12COC2 ZINC001158762537 769406654 /nfs/dbraw/zinc/40/66/54/769406654.db2.gz PRCBNTMPBKUWOT-ZETCQYMHSA-N 1 0 319.148 1.461 20 5 DDBDRO C[NH+](C)C1(CNC(=O)CCC(C)(C)[N+](=O)[O-])CCOCC1 ZINC001146987059 772993722 /nfs/dbraw/zinc/99/37/22/772993722.db2.gz MNHHFDKUSWDEIU-UHFFFAOYSA-N 1 0 301.387 1.049 20 5 DDBDRO O=C(NCCNc1cccc(F)c1[N+](=O)[O-])C12CC[NH+](CC1)C2 ZINC001093768982 775066260 /nfs/dbraw/zinc/06/62/60/775066260.db2.gz TYKPNPQAXMHRLJ-UHFFFAOYSA-N 1 0 322.340 1.358 20 5 DDBDRO CCC[N@H+](C)CC(=O)NCCNc1ncc([N+](=O)[O-])cc1C ZINC001093787371 775078435 /nfs/dbraw/zinc/07/84/35/775078435.db2.gz AZIXQJXMWYVQIP-UHFFFAOYSA-N 1 0 309.370 1.168 20 5 DDBDRO CCC[N@H+](C)CC(=O)NCCN(CC)c1ncccc1[N+](=O)[O-] ZINC001100576554 776320679 /nfs/dbraw/zinc/32/06/79/776320679.db2.gz IJCVMMSLTSAWJJ-UHFFFAOYSA-N 1 0 323.397 1.274 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CC[C@H](CO)[C@@H](O)C1)CC2 ZINC001172902309 776915743 /nfs/dbraw/zinc/91/57/43/776915743.db2.gz AKFINVJCANPYTF-INMHGKMJSA-N 1 0 320.389 1.517 20 5 DDBDRO CCC(CO)(CO)[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172902498 776915762 /nfs/dbraw/zinc/91/57/62/776915762.db2.gz YVEFWEHPXMWVNF-AWEZNQCLSA-N 1 0 308.378 1.565 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@]1(CO)CCOC1)CC2 ZINC001172906266 776917263 /nfs/dbraw/zinc/91/72/63/776917263.db2.gz NJBVAVYIWWGRLU-ZBFHGGJFSA-N 1 0 306.362 1.583 20 5 DDBDRO CN(C)C(=O)C1C[NH+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172915555 776930144 /nfs/dbraw/zinc/93/01/44/776930144.db2.gz PAISNNZYDNQIAO-HNNXBMFYSA-N 1 0 317.389 1.862 20 5 DDBDRO CCOC(=O)CC1([NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)COC1 ZINC001173218941 777050505 /nfs/dbraw/zinc/05/05/05/777050505.db2.gz UDWKKEOZTHTBID-LBPRGKRZSA-N 1 0 322.361 1.838 20 5 DDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCc2nncn2CC1 ZINC001173219955 777052548 /nfs/dbraw/zinc/05/25/48/777052548.db2.gz ADLGVROIAJEPEF-LBPRGKRZSA-N 1 0 301.350 1.676 20 5 DDBDRO CN(CCNc1ccccc1[N+](=O)[O-])C(=O)COCC[NH+](C)C ZINC001101694146 777400267 /nfs/dbraw/zinc/40/02/67/777400267.db2.gz OMOIQKMZWZEWKG-UHFFFAOYSA-N 1 0 324.381 1.043 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)NC[C@@H]2C[NH+]3CCC2CC3)c1[N+](=O)[O-] ZINC001179895369 779521087 /nfs/dbraw/zinc/52/10/87/779521087.db2.gz SQGNUZQKSGBUCZ-LLVKDONJSA-N 1 0 321.381 1.513 20 5 DDBDRO O=C(Nc1ccc(F)c([N+](=O)[O-])c1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC001119386253 781430890 /nfs/dbraw/zinc/43/08/90/781430890.db2.gz GWPQUSZFQMLOLU-WDEREUQCSA-N 1 0 324.312 1.017 20 5 DDBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001119444482 781455375 /nfs/dbraw/zinc/45/53/75/781455375.db2.gz ZNNWWYYEQHIKAM-OAHLLOKOSA-N 1 0 318.377 1.757 20 5 DDBDRO Cc1cncc([N+](=O)[O-])c1N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC001119984888 781709460 /nfs/dbraw/zinc/70/94/60/781709460.db2.gz WZNLULNCDVLPPQ-CHWSQXEVSA-N 1 0 306.366 1.334 20 5 DDBDRO CCOC(=O)[C@H]1C[NH2+]CCN1C/C=C\c1ccccc1[N+](=O)[O-] ZINC001326223374 861206737 /nfs/dbraw/zinc/20/67/37/861206737.db2.gz ZTALVYLDPORSDJ-ZQMJAJRESA-N 1 0 319.361 1.445 20 5 DDBDRO COc1cc(C)nc(N2CCOC[C@@H]2C[NH+](C)C)c1[N+](=O)[O-] ZINC001154967692 861609752 /nfs/dbraw/zinc/60/97/52/861609752.db2.gz KTTUFWXQJYWKKM-NSHDSACASA-N 1 0 310.354 1.074 20 5 DDBDRO COc1cc2ncnc(NC[C@@H]3C[C@H](F)C[NH2+]3)c2cc1[N+](=O)[O-] ZINC001155033736 861663048 /nfs/dbraw/zinc/66/30/48/861663048.db2.gz OIYDLMVNGIFOPX-IUCAKERBSA-N 1 0 321.312 1.659 20 5 DDBDRO COC(=O)c1ccnc(N[C@@]23CCC[C@@H]2[NH2+]CC3)c1[N+](=O)[O-] ZINC001155403433 862048630 /nfs/dbraw/zinc/04/86/30/862048630.db2.gz MDKRVOLVKGYKQK-IINYFYTJSA-N 1 0 306.322 1.473 20 5 DDBDRO O=[N+]([O-])c1ccc2ncnc(NC[C@@]34C[NH2+][C@@H](CO3)C4)c2c1 ZINC001155541628 862209126 /nfs/dbraw/zinc/20/91/26/862209126.db2.gz MNZSKBRMESFTFV-YMTOWFKASA-N 1 0 301.306 1.081 20 5 DDBDRO COc1ncnc(N[C@H]2C[NH2+]Cc3ccsc32)c1[N+](=O)[O-] ZINC001155560271 862227077 /nfs/dbraw/zinc/22/70/77/862227077.db2.gz CEDIJGLMGWTWLP-QMMMGPOBSA-N 1 0 307.335 1.711 20 5 DDBDRO O=C1C[C@H]2[NH2+]CC[C@@]2(Nc2ccc3ccc([N+](=O)[O-])cc3n2)N1 ZINC001155572788 862240720 /nfs/dbraw/zinc/24/07/20/862240720.db2.gz XWHMTOHTORLMDW-IUODEOHRSA-N 1 0 313.317 1.133 20 5 DDBDRO O=[N+]([O-])c1cc(Cl)cnc1N[C@H]1CCO[C@@]2(CC[NH2+]C2)C1 ZINC001155619587 862299928 /nfs/dbraw/zinc/29/99/28/862299928.db2.gz QKZXQMIPGBJBIW-GWCFXTLKSA-N 1 0 312.757 1.966 20 5 DDBDRO Nc1nc(N2CC[NH2+]C[C@H]2c2cccs2)ccc1[N+](=O)[O-] ZINC001156097358 862718746 /nfs/dbraw/zinc/71/87/46/862718746.db2.gz HXZDEJJSCLKXQG-JTQLQIEISA-N 1 0 305.363 1.784 20 5 DDBDRO COc1cc(C(=O)NCC[C@@H]2C[NH2+]C[C@H]2C)cc([N+](=O)[O-])c1C ZINC001122228986 858719169 /nfs/dbraw/zinc/71/91/69/858719169.db2.gz KZLIJMVYVYLZRV-ZYHUDNBSSA-N 1 0 321.377 1.887 20 5 DDBDRO Cc1cc(C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC001122240821 858723393 /nfs/dbraw/zinc/72/33/93/858723393.db2.gz SQRJMHDFTLMOBE-NXEZZACHSA-N 1 0 317.267 1.865 20 5 DDBDRO COc1cc(C(=O)N2CCC[C@@]23CC[NH2+]C3)cc([N+](=O)[O-])c1C ZINC001122411078 858797387 /nfs/dbraw/zinc/79/73/87/858797387.db2.gz GVMAKRHGUOCXQZ-INIZCTEOSA-N 1 0 319.361 1.880 20 5 DDBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N[C@@H]1C[NH2+]CC12CC2 ZINC001122587620 858899439 /nfs/dbraw/zinc/89/94/39/858899439.db2.gz LHDRKHZVGOBEPF-CYBMUJFWSA-N 1 0 304.350 1.265 20 5 DDBDRO O=C(COC1CCCC1)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001124097198 859577058 /nfs/dbraw/zinc/57/70/58/859577058.db2.gz RPKSVGANNGSQQN-UHFFFAOYSA-N 1 0 321.377 1.760 20 5 DDBDRO Cc1cc(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)n(C)n1 ZINC001124257587 859655747 /nfs/dbraw/zinc/65/57/47/859655747.db2.gz QAQRAQPXDDWKOX-UHFFFAOYSA-N 1 0 317.349 1.156 20 5 DDBDRO O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1cscn1 ZINC001124737522 859798627 /nfs/dbraw/zinc/79/86/27/859798627.db2.gz PYCTVLKCEFFSAW-UHFFFAOYSA-N 1 0 312.376 1.632 20 5 DDBDRO Cn1cnc(C(=O)NCCC[NH2+]Cc2cccc([N+](=O)[O-])c2)c1 ZINC001156557601 863145089 /nfs/dbraw/zinc/14/50/89/863145089.db2.gz JFRBQJRKJVUFRR-UHFFFAOYSA-N 1 0 317.349 1.238 20 5 DDBDRO CC/C=C(/C)C(=O)NCC1(NCc2c([N+](=O)[O-])ncn2C)CC1 ZINC001277013063 881658929 /nfs/dbraw/zinc/65/89/29/881658929.db2.gz AVNBOXVVOVEORS-WZUFQYTHSA-N 1 0 321.381 1.423 20 5 DDBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N(C)[C@]1(C)CCC[NH2+]C1 ZINC001156968401 863484978 /nfs/dbraw/zinc/48/49/78/863484978.db2.gz RMCPXWCJBNGLGP-OAHLLOKOSA-N 1 0 322.365 1.745 20 5 DDBDRO COc1ncnc(-n2ncc3c2cccc3C[NH3+])c1[N+](=O)[O-] ZINC001158311558 864567840 /nfs/dbraw/zinc/56/78/40/864567840.db2.gz YSQITARJNDHYPJ-UHFFFAOYSA-N 1 0 300.278 1.191 20 5 DDBDRO CSc1nc(Cl)c([N+](=O)[O-])c(-n2ccc([C@@H](C)[NH3+])n2)n1 ZINC001158348896 864594359 /nfs/dbraw/zinc/59/43/59/864594359.db2.gz MVZDNZHXQGAKPI-RXMQYKEDSA-N 1 0 314.758 1.966 20 5 DDBDRO Cc1n[nH]c(C(=O)N2CCC([NH2+]C3CCC3)CC2)c1[N+](=O)[O-] ZINC001158566179 864732811 /nfs/dbraw/zinc/73/28/11/864732811.db2.gz AYRXNIMNUFEXKB-UHFFFAOYSA-N 1 0 307.354 1.373 20 5 DDBDRO O=C(NCCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1cc[nH]c1 ZINC001158594456 864748327 /nfs/dbraw/zinc/74/83/27/864748327.db2.gz DQTBQUSTEPFFQI-UHFFFAOYSA-N 1 0 308.363 1.894 20 5 DDBDRO Cc1ncc([N+](=O)[O-])c(N2CCCc3ccc(C[NH3+])nc32)n1 ZINC001158649490 864784899 /nfs/dbraw/zinc/78/48/99/864784899.db2.gz LRNHFCVNGWUDCP-UHFFFAOYSA-N 1 0 300.322 1.631 20 5 DDBDRO O=[N+]([O-])c1c(Cl)cc(Cl)nc1NC[C@@H]1COCC[NH2+]1 ZINC001159042476 865067355 /nfs/dbraw/zinc/06/73/55/865067355.db2.gz GSEMPVQLJGGXED-ZCFIWIBFSA-N 1 0 307.137 1.697 20 5 DDBDRO CCN(C(=O)CCCNc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[NH2+]C1 ZINC001331444916 865090537 /nfs/dbraw/zinc/09/05/37/865090537.db2.gz WGRVTRONWZDBSR-OAHLLOKOSA-N 1 0 320.393 1.997 20 5 DDBDRO O=[N+]([O-])c1ccc2nc(Cl)cc(N[C@H]3C[NH2+]C[C@H]3CO)c2c1 ZINC001159683325 865469859 /nfs/dbraw/zinc/46/98/59/865469859.db2.gz VCHGQQBBTUSGIU-SDBXPKJASA-N 1 0 322.752 1.789 20 5 DDBDRO CC[N@H+](C)[C@H]1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC001160152792 865701808 /nfs/dbraw/zinc/70/18/08/865701808.db2.gz GJVWUGCKOLYUEC-ZDUSSCGKSA-N 1 0 320.393 1.949 20 5 DDBDRO [NH3+]C[C@]1(Nc2cc([N+](=O)[O-])c3cc[nH]c3n2)CN2CCC1CC2 ZINC001160512678 865898945 /nfs/dbraw/zinc/89/89/45/865898945.db2.gz DIKPNEAGDURQOL-HNNXBMFYSA-N 1 0 316.365 1.306 20 5 DDBDRO [NH3+]CC1(CCNC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001332627548 865993459 /nfs/dbraw/zinc/99/34/59/865993459.db2.gz HKXMSWXYVRGHJU-UHFFFAOYSA-N 1 0 304.350 1.749 20 5 DDBDRO [NH3+]Cc1ccccc1CNc1cc([N+](=O)[O-])cc(Cl)[n+]1[O-] ZINC001160907438 866180632 /nfs/dbraw/zinc/18/06/32/866180632.db2.gz QMNDBVGGVMJTTD-UHFFFAOYSA-N 1 0 308.725 1.952 20 5 DDBDRO Cc1ncc([N+](=O)[O-])c(N(C2COC2)[C@H]2CC[C@H]([NH3+])CC2)n1 ZINC001161277052 866485178 /nfs/dbraw/zinc/48/51/78/866485178.db2.gz NZRNQTANDYPHRQ-XYPYZODXSA-N 1 0 307.354 1.168 20 5 DDBDRO COc1cnc(NC2CCN([C@H]3CC[NH2+]C3)CC2)c([N+](=O)[O-])c1 ZINC001161464521 866685759 /nfs/dbraw/zinc/68/57/59/866685759.db2.gz LOXOTNCCUVDHCK-LBPRGKRZSA-N 1 0 321.381 1.237 20 5 DDBDRO CCN(CC[NH2+]Cc1c([N+](=O)[O-])ncn1C)C(=O)c1ccco1 ZINC001320667292 866930645 /nfs/dbraw/zinc/93/06/45/866930645.db2.gz MAAUFZNOQWLDNZ-UHFFFAOYSA-N 1 0 321.337 1.173 20 5 DDBDRO COC(=O)c1cc(C)nc(NCCCC[NH+](C)C)c1[N+](=O)[O-] ZINC001161728569 866938656 /nfs/dbraw/zinc/93/86/56/866938656.db2.gz PACRVCWOPAHJHA-UHFFFAOYSA-N 1 0 310.354 1.839 20 5 DDBDRO C[C@H]1C[NH2+]CCC[C@H]1CNc1c[n+]([O-])c(Cl)cc1[N+](=O)[O-] ZINC001162455055 867545627 /nfs/dbraw/zinc/54/56/27/867545627.db2.gz RMPKJUAWYZQDPT-UWVGGRQHSA-N 1 0 314.773 1.929 20 5 DDBDRO COc1nc(N2Cc3ccccc3C[C@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC001162740538 867789768 /nfs/dbraw/zinc/78/97/68/867789768.db2.gz FSJUYPMFRHFLKT-ZDUSSCGKSA-N 1 0 314.345 1.888 20 5 DDBDRO O=[N+]([O-])c1cc(Cl)[n+]([O-])c(NC2CC3(C2)CCC[NH2+]C3)c1 ZINC001162982106 867971004 /nfs/dbraw/zinc/97/10/04/867971004.db2.gz NBWMOSZYPHNTHL-UHFFFAOYSA-N 1 0 312.757 1.826 20 5 DDBDRO O=[N+]([O-])c1c(NC[C@@]23C[NH2+][C@@H](CO2)C3)ccc2ncccc21 ZINC001163202814 868210804 /nfs/dbraw/zinc/21/08/04/868210804.db2.gz MPOYRIWXIJROTP-MEBBXXQBSA-N 1 0 300.318 1.686 20 5 DDBDRO COc1ncc([N+](=O)[O-])c(N[C@H]2C[NH2+]Cc3ccsc32)n1 ZINC001163220702 868227433 /nfs/dbraw/zinc/22/74/33/868227433.db2.gz HJGXPNCUUYSNPT-QMMMGPOBSA-N 1 0 307.335 1.711 20 5 DDBDRO COc1nc(C)c(N[C@@H]2CCO[C@]3(CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC001163324288 868350955 /nfs/dbraw/zinc/35/09/55/868350955.db2.gz RRDNYTJCAYNIDV-IAQYHMDHSA-N 1 0 322.365 1.630 20 5 DDBDRO C[C@@H](NC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc([N+](=O)[O-])cc1 ZINC001336191748 868779477 /nfs/dbraw/zinc/77/94/77/868779477.db2.gz HPVSKYYELFMFRS-RTXFEEFZSA-N 1 0 304.350 1.802 20 5 DDBDRO CO[C@@]1(C)C[C@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC001336845791 869180642 /nfs/dbraw/zinc/18/06/42/869180642.db2.gz RRFHCSOCIGREHS-OLZOCXBDSA-N 1 0 314.363 1.136 20 5 DDBDRO O=C(Cc1cnoc1)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001164459083 869206532 /nfs/dbraw/zinc/20/65/32/869206532.db2.gz JAUBSABCRWINEZ-UHFFFAOYSA-N 1 0 318.333 1.421 20 5 DDBDRO Cc1ncc(C[NH2+]CC2(CCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)o1 ZINC001164494281 869231572 /nfs/dbraw/zinc/23/15/72/869231572.db2.gz CYVXUPGRTPDPKC-CHWSQXEVSA-N 1 0 322.365 1.024 20 5 DDBDRO COC(=O)[C@H]1C[NH2+]CCN1c1ccc2ccc([N+](=O)[O-])cc2n1 ZINC001165435581 869600081 /nfs/dbraw/zinc/60/00/81/869600081.db2.gz DFIQSSAWXXWGHU-CYBMUJFWSA-N 1 0 316.317 1.094 20 5 DDBDRO CCC1(C(=O)NCCC[NH2+]Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC001165966466 869786895 /nfs/dbraw/zinc/78/68/95/869786895.db2.gz CYJUCTFZGLGMSD-UHFFFAOYSA-N 1 0 309.370 1.114 20 5 DDBDRO O=C(NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1n[nH]cc1F ZINC001166111325 869842405 /nfs/dbraw/zinc/84/24/05/869842405.db2.gz HHKGIVHIKTTYRQ-UHFFFAOYSA-N 1 0 321.312 1.367 20 5 DDBDRO N=c1nc([C@@H]2CCC[NH2+]2)ccn1-c1ncc(F)cc1[N+](=O)[O-] ZINC001166700134 870167100 /nfs/dbraw/zinc/16/71/00/870167100.db2.gz HSMNMJCODYEFTM-VIFPVBQESA-N 1 0 304.285 1.219 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N2CCC[C@]3(CC[N@@H+](C)C3)C2)n1 ZINC001298101788 870278592 /nfs/dbraw/zinc/27/85/92/870278592.db2.gz AJJNPSZBJPPSEO-MRXNPFEDSA-N 1 0 318.377 1.856 20 5 DDBDRO CCOc1nc(-n2c(=N)sc3c2CC[NH2+]C3)ccc1[N+](=O)[O-] ZINC001166860916 870328014 /nfs/dbraw/zinc/32/80/14/870328014.db2.gz WTBHZGWQEUOKBC-UHFFFAOYSA-N 1 0 321.362 1.366 20 5 DDBDRO COc1cccc(C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC001339177414 870388531 /nfs/dbraw/zinc/38/85/31/870388531.db2.gz YXOIZOKHOHPASY-GFCCVEGCSA-N 1 0 319.361 1.914 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2CC[C@@H]3C[N@H+](C)C[C@H]23)n1 ZINC001339997520 870830737 /nfs/dbraw/zinc/83/07/37/870830737.db2.gz CPOXNOCVLVEBJF-OUAUKWLOSA-N 1 0 320.349 1.529 20 5 DDBDRO Cc1ccc(C[NH2+]CCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c(C)c1 ZINC001317584992 871143247 /nfs/dbraw/zinc/14/32/47/871143247.db2.gz LSFZZKYNZFFMMG-HUUCEWRRSA-N 1 0 305.378 1.517 20 5 DDBDRO Cc1c[nH]c(C(=O)N(C)CC[NH2+]Cc2csc([N+](=O)[O-])c2)n1 ZINC001317644358 871294857 /nfs/dbraw/zinc/29/48/57/871294857.db2.gz WSWFENDZCYXMOF-UHFFFAOYSA-N 1 0 323.378 1.550 20 5 DDBDRO Cn1cc([N+](=O)[O-])c(NCC[N@@H+]2CCc3ccccc3C2)n1 ZINC001306925522 871381377 /nfs/dbraw/zinc/38/13/77/871381377.db2.gz KVZJWOKKDXGZKZ-UHFFFAOYSA-N 1 0 301.350 1.799 20 5 DDBDRO CC/C=C/CC[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001205224672 871442743 /nfs/dbraw/zinc/44/27/43/871442743.db2.gz WEXJYHMMVRYBPO-LRPXVYOUSA-N 1 0 309.410 1.836 20 5 DDBDRO C[C@@H]1C[NH2+][C@@H](C)[C@@H](C)N1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC001341027563 871474898 /nfs/dbraw/zinc/47/48/98/871474898.db2.gz JBSLSTVHEIGPPN-GRYCIOLGSA-N 1 0 306.366 1.604 20 5 DDBDRO C[C@@H]1C[NH2+][C@@H](C)[C@@H](C)N1C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC001341027338 871475144 /nfs/dbraw/zinc/47/51/44/871475144.db2.gz HTSJEZOJTFEXRF-FRRDWIJNSA-N 1 0 320.393 1.628 20 5 DDBDRO O=C(N[C@H]1COC2(C[NH2+]C2)C1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC001341366703 871621483 /nfs/dbraw/zinc/62/14/83/871621483.db2.gz GGVMFMVVNDYECP-SECBINFHSA-N 1 0 311.725 1.109 20 5 DDBDRO C[NH2+]CCN(C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)C(C)C ZINC001341753344 871803818 /nfs/dbraw/zinc/80/38/18/871803818.db2.gz SGBBYWIVKXYULM-UHFFFAOYSA-N 1 0 319.365 1.401 20 5 DDBDRO O=C(CCc1cccc([N+](=O)[O-])c1)NCC[C@@H]1CSCC[NH2+]1 ZINC001342003958 871945042 /nfs/dbraw/zinc/94/50/42/871945042.db2.gz CMWHRTHYZVKLAI-CYBMUJFWSA-N 1 0 323.418 1.739 20 5 DDBDRO [NH3+]C[C@]12CC[C@H]1CCN2C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC001345601602 873451716 /nfs/dbraw/zinc/45/17/16/873451716.db2.gz HFGZVLBOZFXDMA-RYIFVZQSSA-N 1 0 301.346 1.948 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CCC1CCOCC1 ZINC001345634572 873460309 /nfs/dbraw/zinc/46/03/09/873460309.db2.gz JEFDMKNTAMLUNY-AWEZNQCLSA-N 1 0 324.377 1.741 20 5 DDBDRO C[C@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)[C@H]1C[N@H+](C)CCN1C ZINC001345719711 873487757 /nfs/dbraw/zinc/48/77/57/873487757.db2.gz PHZLXQIRIZAJEB-SMDDNHRTSA-N 1 0 321.381 1.351 20 5 DDBDRO C[NH+]1CCC(Oc2[nH]c(=O)nc3ccc([N+](=O)[O-])cc32)CC1 ZINC001227094374 882826541 /nfs/dbraw/zinc/82/65/41/882826541.db2.gz ZJHKYGLZGNVUTO-UHFFFAOYSA-N 1 0 304.306 1.717 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[C@H]3C[N@H+](C)C[C@@H]32)c1 ZINC001349696120 875310267 /nfs/dbraw/zinc/31/02/67/875310267.db2.gz ZFCMKJFTIVKZTG-LEWSCRJBSA-N 1 0 319.361 1.673 20 5 DDBDRO COc1cc(Cl)ccc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001227365340 882986683 /nfs/dbraw/zinc/98/66/83/882986683.db2.gz BYPKHIBYOPIATO-LLVKDONJSA-N 1 0 302.778 1.711 20 5 DDBDRO CO[C@@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001227465800 883033214 /nfs/dbraw/zinc/03/32/14/883033214.db2.gz JSXVPMQJEYLEDI-LLVKDONJSA-N 1 0 311.294 1.603 20 5 DDBDRO CC(C)C[N@H+](C)CCCNC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001300264569 877259495 /nfs/dbraw/zinc/25/94/95/877259495.db2.gz JSLMUZSUJRXSQW-UHFFFAOYSA-N 1 0 308.382 1.885 20 5 DDBDRO Cc1ccc(NC[C@@]2(CO)COC[C@@H]3CCC[N@@H+]32)c([N+](=O)[O-])c1 ZINC001354397144 877948598 /nfs/dbraw/zinc/94/85/98/877948598.db2.gz YMQRXWLWHFPAND-XJKSGUPXSA-N 1 0 321.377 1.541 20 5 DDBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@H](O)COC1CCOCC1 ZINC001356534107 879090731 /nfs/dbraw/zinc/09/07/31/879090731.db2.gz WJGXEFYZFUGXML-ZDUSSCGKSA-N 1 0 310.350 1.241 20 5 DDBDRO CC(C)(C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)n1ccnc1 ZINC001357260704 879882144 /nfs/dbraw/zinc/88/21/44/879882144.db2.gz SBCMRXTYFHOJDL-CQSZACIVSA-N 1 0 304.350 1.850 20 5 DDBDRO Cc1ccc(C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC001358118325 880338763 /nfs/dbraw/zinc/33/87/63/880338763.db2.gz CUXCKUHIKWYZRU-NXEZZACHSA-N 1 0 317.267 1.865 20 5 DDBDRO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001358275570 880388124 /nfs/dbraw/zinc/38/81/24/880388124.db2.gz WOZLIRRIIVKGDY-GXSJLCMTSA-N 1 0 309.753 1.930 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CO[C@@H](C)CN1CCOCC1 ZINC001223103608 880829818 /nfs/dbraw/zinc/82/98/18/880829818.db2.gz CXDWMJKQVAGEPP-LBPRGKRZSA-N 1 0 310.350 1.841 20 5 DDBDRO COC(=O)c1c(CO[C@@H](C)C[N+](C)(C)C)cccc1[N+](=O)[O-] ZINC001223294668 880908890 /nfs/dbraw/zinc/90/88/90/880908890.db2.gz NFRKFXDBFFSVTD-NSHDSACASA-N 1 0 311.358 1.993 20 5 DDBDRO COC(=O)c1cc(CO[C@@H](C)C[N+](C)(C)C)cc([N+](=O)[O-])c1 ZINC001223692216 881059424 /nfs/dbraw/zinc/05/94/24/881059424.db2.gz ZGUQRHXDDDYUJQ-NSHDSACASA-N 1 0 311.358 1.993 20 5 DDBDRO CC(=O)O[C@H]1C[C@@H]2C[C@H](Oc3cncc([N+](=O)[O-])c3)C[C@H]1[N@@H+]2C ZINC001227990697 883272764 /nfs/dbraw/zinc/27/27/64/883272764.db2.gz OYNBOHLNQJLGMP-FATJJJSSSA-N 1 0 321.333 1.535 20 5 DDBDRO CO[C@@H]1CC[N@H+](CCOc2nccc(Cl)c2[N+](=O)[O-])C1 ZINC001228018375 883290164 /nfs/dbraw/zinc/29/01/64/883290164.db2.gz YDTDUGQQIVEVSQ-SECBINFHSA-N 1 0 301.730 1.743 20 5 DDBDRO C[NH+]1CCC2(CC[C@@H](COc3nc[nH]c(=O)c3[N+](=O)[O-])O2)CC1 ZINC001228142255 883361754 /nfs/dbraw/zinc/36/17/54/883361754.db2.gz CAPMMGHDBGPAFQ-JTQLQIEISA-N 1 0 324.337 1.113 20 5 DDBDRO CSc1nc(C)c(F)c(OC(=O)C[C@@H](O)C[N+](C)(C)C)n1 ZINC001230014085 884276669 /nfs/dbraw/zinc/27/66/69/884276669.db2.gz GGRYKUZSYABNQE-SECBINFHSA-N 1 0 318.394 1.009 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1c(O)ccc2ccccc21 ZINC001231227902 885406236 /nfs/dbraw/zinc/40/62/36/885406236.db2.gz OTPPDYQUEQZCSK-CYBMUJFWSA-O 1 0 304.366 1.908 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc(OC(F)F)cc1 ZINC001233647971 887184531 /nfs/dbraw/zinc/18/45/31/887184531.db2.gz BTWARMBZQUUNNQ-SNVBAGLBSA-N 1 0 304.313 1.651 20 5 DDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@]2(CCNC2=O)C1 ZINC001254553085 896498931 /nfs/dbraw/zinc/49/89/31/896498931.db2.gz RWVQEIUHSFCQJW-LRDDRELGSA-N 1 0 303.362 1.738 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@H]1COCCC13OCCO3)C2 ZINC001254576194 896511204 /nfs/dbraw/zinc/51/12/04/896511204.db2.gz VBMAOHJQUJCVLB-HIFRSBDPSA-N 1 0 320.345 1.184 20 5 DDBDRO COCCn1cnc(C[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001254580051 896513305 /nfs/dbraw/zinc/51/33/05/896513305.db2.gz AFKAAUYJUNDIHQ-AWEZNQCLSA-N 1 0 316.361 1.695 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1CCO[C@@]3(CCOC3)C1)C2 ZINC001254593217 896521008 /nfs/dbraw/zinc/52/10/08/896521008.db2.gz KAUNHDMLNPFOCF-HOTGVXAUSA-N 1 0 304.346 1.553 20 5 DDBDRO COC(=O)[C@H]1C[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC12CC2 ZINC001254611172 896534187 /nfs/dbraw/zinc/53/41/87/896534187.db2.gz WPLVLYLUIDFOBV-HUUCEWRRSA-N 1 0 316.357 1.947 20 5 DDBDRO C[C@H]1C[NH+](CCCCNc2c([N+](=O)[O-])cnn2C)C[C@H](C)O1 ZINC001262360007 900130824 /nfs/dbraw/zinc/13/08/24/900130824.db2.gz RUHMTQZEZYHNKK-RYUDHWBXSA-N 1 0 311.386 1.630 20 5 DDBDRO CCC[N@H+](C)Cc1ccccc1CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001280325478 903594448 /nfs/dbraw/zinc/59/44/48/903594448.db2.gz UWTRFZGNTLQWFW-HUUCEWRRSA-N 1 0 305.378 1.810 20 5 DDBDRO C[N@@H+]1CC[C@](O)(CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000358069430 299066589 /nfs/dbraw/zinc/06/65/89/299066589.db2.gz STLAZIRADNYYRG-ZDUSSCGKSA-N 1 0 313.741 1.045 20 5 DDBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2C[C@@H](O)[C@H](O)C2)s1 ZINC000278324044 214090655 /nfs/dbraw/zinc/09/06/55/214090655.db2.gz GLLOHFWHHSILMT-ZIAGYGMSSA-N 1 0 320.370 1.861 20 5 DDBDRO [NH3+][C@@H]1CCC[C@H](CNC(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000449637143 230624336 /nfs/dbraw/zinc/62/43/36/230624336.db2.gz GBDCHPZGADDFMF-QWHCGFSZSA-N 1 0 321.377 1.997 20 5 DDBDRO Cc1sc(C(=O)Nc2ccn(CC[NH+](C)C)n2)cc1[N+](=O)[O-] ZINC000303016867 230876270 /nfs/dbraw/zinc/87/62/70/230876270.db2.gz LOLZUWKKVZUXJW-UHFFFAOYSA-N 1 0 323.378 1.975 20 5 DDBDRO CCc1n[nH]c(C(=O)NCC[C@@H]2CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000458157496 529467353 /nfs/dbraw/zinc/46/73/53/529467353.db2.gz CMMWQCHQDRZRMZ-JTQLQIEISA-N 1 0 309.370 1.342 20 5 DDBDRO CC[C@@]1(O)CC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000495197629 529578159 /nfs/dbraw/zinc/57/81/59/529578159.db2.gz YJPOVWAXXCQHNF-GOEBONIOSA-N 1 0 319.361 1.547 20 5 DDBDRO COC[C@@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000251520159 282202105 /nfs/dbraw/zinc/20/21/05/282202105.db2.gz CQHZVXHKBKFNJB-DOMZBBRYSA-N 1 0 310.350 1.709 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@@H]1C[NH+]1CCCC1 ZINC000090525003 185300157 /nfs/dbraw/zinc/30/01/57/185300157.db2.gz TZWTVJRDPOERHK-CQSZACIVSA-N 1 0 320.393 1.317 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCCC3(CCCC3)C2)c1 ZINC000615000826 362112643 /nfs/dbraw/zinc/11/26/43/362112643.db2.gz WSMOYIYALHKBGK-CQSZACIVSA-N 1 0 308.382 1.808 20 5 DDBDRO CC[N@@H+]1CC[C@@H](N(C)CCn2cc([N+](=O)[O-])ccc2=O)[C@H](C)C1 ZINC000090554612 185303128 /nfs/dbraw/zinc/30/31/28/185303128.db2.gz XKLIMMWUUVNKCH-UKRRQHHQSA-N 1 0 322.409 1.419 20 5 DDBDRO C[NH+](C)C[C@](C)(O)CNC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000255492423 282259861 /nfs/dbraw/zinc/25/98/61/282259861.db2.gz WCBCRDSLQQTCLR-ZPIQOJFGSA-N 1 0 307.350 1.037 20 5 DDBDRO C[NH2+]C[C@H]1CCCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000430596444 530003306 /nfs/dbraw/zinc/00/33/06/530003306.db2.gz ODDVEOUSCUOKOX-CYBMUJFWSA-N 1 0 306.366 1.526 20 5 DDBDRO C[C@H](NC(=O)Cc1ccccc1[N+](=O)[O-])C1=CC[N@H+](C)CC1 ZINC000272670164 210074312 /nfs/dbraw/zinc/07/43/12/210074312.db2.gz IRMJIGQWFFQMCZ-LBPRGKRZSA-N 1 0 303.362 1.904 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCc2ccccc2F)c1 ZINC000314730715 290807040 /nfs/dbraw/zinc/80/70/40/290807040.db2.gz QOQQAQRDANZJDR-ZDUSSCGKSA-N 1 0 308.313 1.124 20 5 DDBDRO C[C@@H](O)C[C@H]1CCCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000279677533 215054059 /nfs/dbraw/zinc/05/40/59/215054059.db2.gz DZPJWMIDIFDAMA-BXUZGUMPSA-N 1 0 321.377 1.819 20 5 DDBDRO COCC[NH2+]CCNC(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000152437260 186072344 /nfs/dbraw/zinc/07/23/44/186072344.db2.gz XAXKCHQIJCSZKJ-UHFFFAOYSA-N 1 0 313.379 1.283 20 5 DDBDRO Cc1cc(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])n(C)n1 ZINC000564869561 304021083 /nfs/dbraw/zinc/02/10/83/304021083.db2.gz ZNRPGKIUDJOZKW-CYBMUJFWSA-N 1 0 320.349 1.166 20 5 DDBDRO CCOC(=O)c1ccnc(NCC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000172362249 198085168 /nfs/dbraw/zinc/08/51/68/198085168.db2.gz MRZBREWINCTGCE-UHFFFAOYSA-N 1 0 308.338 1.674 20 5 DDBDRO COC(=O)c1cc(NC(=O)NCC[NH+](C)C)c(C)c([N+](=O)[O-])c1 ZINC000277150343 213329396 /nfs/dbraw/zinc/32/93/96/213329396.db2.gz FPVSTYPGWVJTCL-UHFFFAOYSA-N 1 0 324.337 1.373 20 5 DDBDRO C[C@@H](CNC(=O)CCn1cc([N+](=O)[O-])cn1)C[NH+]1CCCC1 ZINC000064298720 352932721 /nfs/dbraw/zinc/93/27/21/352932721.db2.gz NZKDZSNMMQTHLW-LBPRGKRZSA-N 1 0 309.370 1.030 20 5 DDBDRO Cc1c(C(=O)NCC[N@@H+](C)C2CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000066924582 353025688 /nfs/dbraw/zinc/02/56/88/353025688.db2.gz JCQRSNZOXRMCHN-UHFFFAOYSA-N 1 0 322.321 1.635 20 5 DDBDRO O=[N+]([O-])c1cn(C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cn1 ZINC000066482907 353000234 /nfs/dbraw/zinc/00/02/34/353000234.db2.gz TZLXARHSSDNFIF-AWEZNQCLSA-N 1 0 302.334 1.211 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+](C)C1CC1 ZINC000067701415 353062521 /nfs/dbraw/zinc/06/25/21/353062521.db2.gz FPDFPHZKWSVPFR-UHFFFAOYSA-N 1 0 306.366 1.485 20 5 DDBDRO COc1ccc(CC(=O)NCC[N@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000067912074 353074651 /nfs/dbraw/zinc/07/46/51/353074651.db2.gz DNFSZHRNXIHWAO-UHFFFAOYSA-N 1 0 307.350 1.356 20 5 DDBDRO CNc1ccc(C(=O)N(C)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000068192349 353095121 /nfs/dbraw/zinc/09/51/21/353095121.db2.gz ZJTHPFCKJHABRY-UHFFFAOYSA-N 1 0 306.366 1.803 20 5 DDBDRO CNC(=O)c1ccc(N[C@@H]2CC[N@@H+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000069000609 353140345 /nfs/dbraw/zinc/14/03/45/353140345.db2.gz XSJKHEUVCWQUTN-GFCCVEGCSA-N 1 0 306.366 1.849 20 5 DDBDRO C[NH+](C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]1)c1ccccc1 ZINC000072952888 353227204 /nfs/dbraw/zinc/22/72/04/353227204.db2.gz MAWGNAYUPRIYJD-AWEZNQCLSA-N 1 0 302.334 1.956 20 5 DDBDRO Cc1cc(NCCCC[NH+]2CCN(C)CC2)ncc1[N+](=O)[O-] ZINC000074740367 353327721 /nfs/dbraw/zinc/32/77/21/353327721.db2.gz XDCXYHQHCJAZGU-UHFFFAOYSA-N 1 0 307.398 1.738 20 5 DDBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)CCn2cc([N+](=O)[O-])nc2C)C1 ZINC000174531277 198347952 /nfs/dbraw/zinc/34/79/52/198347952.db2.gz DXTAZCXBYJHLBQ-CYBMUJFWSA-N 1 0 323.397 1.290 20 5 DDBDRO CCC[N@H+](CC)CCNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000174654821 198365903 /nfs/dbraw/zinc/36/59/03/198365903.db2.gz TYBPCSGCIUQPJF-UHFFFAOYSA-N 1 0 319.365 1.933 20 5 DDBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C1 ZINC000174759657 198381037 /nfs/dbraw/zinc/38/10/37/198381037.db2.gz XHSGUMDFOJSWNV-NSHDSACASA-N 1 0 322.365 1.499 20 5 DDBDRO COCCC[N@@H+]1CCCN(c2nccc(C)c2[N+](=O)[O-])CC1 ZINC000078302326 353509866 /nfs/dbraw/zinc/50/98/66/353509866.db2.gz LWVAZXYWEFPPAW-UHFFFAOYSA-N 1 0 308.382 1.847 20 5 DDBDRO C[C@H](CC[NH+](C)C)NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000080255770 353599311 /nfs/dbraw/zinc/59/93/11/353599311.db2.gz OTWMQJGTULZHEQ-GFCCVEGCSA-N 1 0 308.382 1.487 20 5 DDBDRO CNc1ccc(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000143978784 354152240 /nfs/dbraw/zinc/15/22/40/354152240.db2.gz ICARADYTZUZCBE-LLVKDONJSA-N 1 0 304.350 1.603 20 5 DDBDRO O=C(NCC1CC[NH+](Cc2cccs2)CC1)[C@@H]1C[C@@H]1[N+](=O)[O-] ZINC000145704229 354157931 /nfs/dbraw/zinc/15/79/31/354157931.db2.gz RAUQUTIQQYZGMZ-KGLIPLIRSA-N 1 0 323.418 1.742 20 5 DDBDRO C[C@H]1C[C@H]([NH3+])CCN1S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000156156978 354217444 /nfs/dbraw/zinc/21/74/44/354217444.db2.gz KTHKCMPIYJYFLC-CMPLNLGQSA-N 1 0 313.379 1.236 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@@H]([NH3+])C[C@H]1C ZINC000228341756 354322543 /nfs/dbraw/zinc/32/25/43/354322543.db2.gz DIWPTWGFPOLLPZ-GHMZBOCLSA-N 1 0 313.379 1.404 20 5 DDBDRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000262738965 354395879 /nfs/dbraw/zinc/39/58/79/354395879.db2.gz HGZZKPSPUMAGRE-BXUZGUMPSA-N 1 0 307.350 1.702 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCCOc2ccccc2)c1 ZINC000320340026 354526110 /nfs/dbraw/zinc/52/61/10/354526110.db2.gz BMRCUHIUWGSWRL-AWEZNQCLSA-N 1 0 320.349 1.211 20 5 DDBDRO [NH3+]C[C@H]1CN(C(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])CCCO1 ZINC000493719499 234909488 /nfs/dbraw/zinc/90/94/88/234909488.db2.gz ILOIEEGPILOKPJ-LQPUYASZSA-N 1 0 323.324 1.323 20 5 DDBDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]CCCOc1ccc([N+](=O)[O-])cc1 ZINC000585816775 354853288 /nfs/dbraw/zinc/85/32/88/354853288.db2.gz FQUODIMFSXFVFH-HUUCEWRRSA-N 1 0 321.377 1.868 20 5 DDBDRO Cc1c[nH]nc1CN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000589495183 354996291 /nfs/dbraw/zinc/99/62/91/354996291.db2.gz YWSCMISYNRZBPC-UHFFFAOYSA-N 1 0 302.338 1.344 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)C[C@H]1CCOC1 ZINC000494968480 235108819 /nfs/dbraw/zinc/10/88/19/235108819.db2.gz CNBYCCQYPBLKFC-GFCCVEGCSA-N 1 0 307.350 1.810 20 5 DDBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000590566848 355114727 /nfs/dbraw/zinc/11/47/27/355114727.db2.gz QMQKTLJEKPQEHH-CHWSQXEVSA-N 1 0 320.393 1.582 20 5 DDBDRO O=[N+]([O-])c1ccc(OCCC[NH2+][C@@H](CO)[C@@H]2CCCOC2)cc1 ZINC000591048596 355238658 /nfs/dbraw/zinc/23/86/58/355238658.db2.gz GFTJVVGJFYSJHW-CJNGLKHVSA-N 1 0 324.377 1.741 20 5 DDBDRO C[C@@H]([NH3+])CNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000591357209 355299173 /nfs/dbraw/zinc/29/91/73/355299173.db2.gz IYISPIXZYDHWRX-SSDOTTSWSA-N 1 0 320.271 1.760 20 5 DDBDRO C[C@@H]1C[NH2+][C@@H](C)CN1c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000591433894 355310628 /nfs/dbraw/zinc/31/06/28/355310628.db2.gz HNDNGGKRFUIHHW-JGVFFNPUSA-N 1 0 319.408 1.246 20 5 DDBDRO CN(C(=O)CN1CC[C@@H]2CC[NH2+][C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000591449571 355314306 /nfs/dbraw/zinc/31/43/06/355314306.db2.gz WIPYJIDGGGRDRF-SWLSCSKDSA-N 1 0 318.377 1.241 20 5 DDBDRO C[C@]1(CNCc2cc3c(cc2[N+](=O)[O-])OCCO3)CCC[NH2+]C1 ZINC000591278288 355277078 /nfs/dbraw/zinc/27/70/78/355277078.db2.gz DXEKPJQLHNELDK-INIZCTEOSA-N 1 0 321.377 1.845 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000591676533 355359826 /nfs/dbraw/zinc/35/98/26/355359826.db2.gz VJIRUBREKGFBGL-ZWNOBZJWSA-N 1 0 307.350 1.803 20 5 DDBDRO CC1(C)C[NH2+]CCN1C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000591678105 355360207 /nfs/dbraw/zinc/36/02/07/355360207.db2.gz JCWVXPOAYNNFEK-UHFFFAOYSA-N 1 0 321.333 1.190 20 5 DDBDRO CC[C@H]1CN(C(=O)CCn2cc([N+](=O)[O-])nc2C)CC[C@H]1[NH3+] ZINC000592332187 355561158 /nfs/dbraw/zinc/56/11/58/355561158.db2.gz FNQAYWROTDVBCH-NWDGAFQWSA-N 1 0 309.370 1.076 20 5 DDBDRO CC[C@H]1CN(C(=O)COc2cccc([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000592332037 355561235 /nfs/dbraw/zinc/56/12/35/355561235.db2.gz SLVNUTXPHSMRMG-FZMZJTMJSA-N 1 0 307.350 1.559 20 5 DDBDRO CCCc1[nH]nc(C(=O)Nc2cccc(C[NH3+])c2)c1[N+](=O)[O-] ZINC000592285037 355553234 /nfs/dbraw/zinc/55/32/34/355553234.db2.gz VPDMFXCJZPNTJJ-UHFFFAOYSA-N 1 0 303.322 1.981 20 5 DDBDRO Cn1cnc(CCC[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])n1 ZINC000592373221 355569302 /nfs/dbraw/zinc/56/93/02/355569302.db2.gz HFCSEVVILPHZHG-DAXSKMNVSA-N 1 0 301.350 1.959 20 5 DDBDRO Cc1ccc(S(=O)(=O)N2CCC(C)([NH3+])CC2)cc1[N+](=O)[O-] ZINC000592379075 355570424 /nfs/dbraw/zinc/57/04/24/355570424.db2.gz LNIKQVYZJCPZLQ-UHFFFAOYSA-N 1 0 313.379 1.405 20 5 DDBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2C[C@@H]3C[C@H]2C[S@@]3=O)cc1 ZINC000593103321 355799272 /nfs/dbraw/zinc/79/92/72/355799272.db2.gz YTKLWFOTSNMACI-VUCVNMQBSA-N 1 0 310.375 1.569 20 5 DDBDRO C[NH+](C)C[C@](C)(O)CNc1ccnc2cc([N+](=O)[O-])ccc21 ZINC000593464361 355893196 /nfs/dbraw/zinc/89/31/96/355893196.db2.gz FCOARRJTINOSER-OAHLLOKOSA-N 1 0 304.350 1.868 20 5 DDBDRO COc1ccc(CN2CCC([NH2+]CCO)CC2)cc1[N+](=O)[O-] ZINC000601328564 358499602 /nfs/dbraw/zinc/49/96/02/358499602.db2.gz SZEJCDGREGYEQH-UHFFFAOYSA-N 1 0 309.366 1.150 20 5 DDBDRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000594106260 356115144 /nfs/dbraw/zinc/11/51/44/356115144.db2.gz RPFVQOZHCHOTRR-BETUJISGSA-N 1 0 321.377 1.820 20 5 DDBDRO CSc1ccc(C(=O)N[C@@H](C[NH3+])C(F)(F)F)cc1[N+](=O)[O-] ZINC000594451613 356221927 /nfs/dbraw/zinc/22/19/27/356221927.db2.gz OJKAUMUVXDORSX-VIFPVBQESA-N 1 0 323.296 1.936 20 5 DDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594419788 356204621 /nfs/dbraw/zinc/20/46/21/356204621.db2.gz RLEVQTSVLOLULK-STQMWFEESA-N 1 0 318.377 1.924 20 5 DDBDRO NC(=O)c1ccnc(N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000594596964 356259940 /nfs/dbraw/zinc/25/99/40/356259940.db2.gz BPNWVDFWHOWSND-RYUDHWBXSA-N 1 0 319.365 1.518 20 5 DDBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCC1CS(=O)(=O)C1 ZINC000594502121 356238588 /nfs/dbraw/zinc/23/85/88/356238588.db2.gz XHKSMARIYKFSEX-ZDUSSCGKSA-N 1 0 310.375 1.606 20 5 DDBDRO Cc1ccc(S(=O)(=O)NCC2([NH3+])CCCC2)cc1[N+](=O)[O-] ZINC000595120799 356385937 /nfs/dbraw/zinc/38/59/37/356385937.db2.gz WNGVRKUHUVGDIW-UHFFFAOYSA-N 1 0 313.379 1.453 20 5 DDBDRO CC(C)[C@H]([NH3+])CCNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000595264238 356425431 /nfs/dbraw/zinc/42/54/31/356425431.db2.gz OUIPGDQECIGTOG-CQSZACIVSA-N 1 0 308.382 1.810 20 5 DDBDRO CO[C@H](CN1CCc2ncc([N+](=O)[O-])cc2C1)[C@H]1CCOC1 ZINC000595423140 356486601 /nfs/dbraw/zinc/48/66/01/356486601.db2.gz JNELLYZVTAEFPK-XHDPSFHLSA-N 1 0 307.350 1.399 20 5 DDBDRO CCCC[C@H](C[NH3+])NC(=O)CCn1nc(C)c([N+](=O)[O-])c1C ZINC000236888109 202054213 /nfs/dbraw/zinc/05/42/13/202054213.db2.gz SSKBXOXSKJQUFP-GFCCVEGCSA-N 1 0 311.386 1.432 20 5 DDBDRO CCOc1cc(C(=O)N2CCC([NH3+])CC2)c([N+](=O)[O-])cc1OC ZINC000236882929 202051770 /nfs/dbraw/zinc/05/17/70/202051770.db2.gz IBSXILCAHCMEOJ-UHFFFAOYSA-N 1 0 323.349 1.565 20 5 DDBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CC[C@H](Cn3ccnn3)C2)cc1 ZINC000595607968 356574158 /nfs/dbraw/zinc/57/41/58/356574158.db2.gz MDIBRYNZNAZYDG-ZDUSSCGKSA-N 1 0 317.349 1.587 20 5 DDBDRO [NH3+]C1(CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CCCC1 ZINC000595967206 356728204 /nfs/dbraw/zinc/72/82/04/356728204.db2.gz OFODCNAMCCOUHR-UHFFFAOYSA-N 1 0 307.306 1.325 20 5 DDBDRO C[NH2+]C[C@H](C)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000595983071 356735457 /nfs/dbraw/zinc/73/54/57/356735457.db2.gz NINGDTZKFUOFER-DTWKUNHWSA-N 1 0 315.757 1.740 20 5 DDBDRO O=C(Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)c1cc([N+](=O)[O-])n[nH]1 ZINC000595943503 356716869 /nfs/dbraw/zinc/71/68/69/356716869.db2.gz QEVBLDYDEGNWNP-LBPRGKRZSA-N 1 0 317.305 1.231 20 5 DDBDRO CC(C)[N@@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596091650 356768888 /nfs/dbraw/zinc/76/88/88/356768888.db2.gz BJYBEUYKOFCROQ-LLVKDONJSA-N 1 0 306.366 1.836 20 5 DDBDRO C[N@@H+]1CCC[C@@H]1CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000276920198 213175980 /nfs/dbraw/zinc/17/59/80/213175980.db2.gz OLSQZTOETSDQKG-GFCCVEGCSA-N 1 0 313.379 1.108 20 5 DDBDRO C[N@@H+]1CCC[C@H]2CN(c3ccc([N+](=O)[O-])c(C(N)=O)c3)CC[C@H]21 ZINC000596170408 356800909 /nfs/dbraw/zinc/80/09/09/356800909.db2.gz ZLDJJQKPHSKJST-SMDDNHRTSA-N 1 0 318.377 1.614 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CCN(c3ccc([N+](=O)[O-])c(C(N)=O)c3)[C@@H]2C1 ZINC000596189725 356806551 /nfs/dbraw/zinc/80/65/51/356806551.db2.gz QGHLRECYVULPHF-QMTHXVAHSA-N 1 0 304.350 1.224 20 5 DDBDRO COc1cc(NC[C@@]2(O)CC[N@H+](C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596198045 356810333 /nfs/dbraw/zinc/81/03/33/356810333.db2.gz PMDIYUXKIRAFIA-ZDUSSCGKSA-N 1 0 315.757 1.735 20 5 DDBDRO CC[NH+](CC)CC[C@H](CO)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596218938 356820065 /nfs/dbraw/zinc/82/00/65/356820065.db2.gz LDBSYCUJYPZISC-GFCCVEGCSA-N 1 0 324.381 1.198 20 5 DDBDRO O=c1[nH]ccc(NC2CC[NH+](C[C@@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000596129670 356784923 /nfs/dbraw/zinc/78/49/23/356784923.db2.gz ILIVACPKYONRDT-NSHDSACASA-N 1 0 322.365 1.608 20 5 DDBDRO CN(CCC[NH+](C)C)CCNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000596452258 356883616 /nfs/dbraw/zinc/88/36/16/356883616.db2.gz ALEBLVLQZFHBDL-UHFFFAOYSA-N 1 0 323.397 1.600 20 5 DDBDRO CN(C)C(=O)CC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000178292335 198843508 /nfs/dbraw/zinc/84/35/08/198843508.db2.gz GUJFWGKYXDKYMI-AWEZNQCLSA-N 1 0 305.378 1.984 20 5 DDBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000597700962 357291825 /nfs/dbraw/zinc/29/18/25/357291825.db2.gz PMFMLISIKZXKPU-KOLCDFICSA-N 1 0 321.333 1.488 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000597859805 357362131 /nfs/dbraw/zinc/36/21/31/357362131.db2.gz YHYYXJJETDVDPL-GFCCVEGCSA-N 1 0 323.397 1.479 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)n1 ZINC000597861450 357362211 /nfs/dbraw/zinc/36/22/11/357362211.db2.gz UNMKCFBFTRCDTL-LLVKDONJSA-N 1 0 323.397 1.661 20 5 DDBDRO CCC[N@@H+]1CC[C@H](NC(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000598342485 357545301 /nfs/dbraw/zinc/54/53/01/357545301.db2.gz JBUZRGUUVCDAOP-LBPRGKRZSA-N 1 0 307.350 1.574 20 5 DDBDRO COC(=O)c1ccnc(N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000598600361 357648597 /nfs/dbraw/zinc/64/85/97/357648597.db2.gz AVUSQFCIORDKOK-ZJUUUORDSA-N 1 0 320.349 1.814 20 5 DDBDRO CC1(C)C[NH2+]CC[C@@H]1NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598915422 357758112 /nfs/dbraw/zinc/75/81/12/357758112.db2.gz LSTHUYNDFFVSFC-LBPRGKRZSA-N 1 0 320.349 1.038 20 5 DDBDRO C[NH+](C)C[C@@](C)(O)CNc1ccc2cnccc2c1[N+](=O)[O-] ZINC000599059127 357805229 /nfs/dbraw/zinc/80/52/29/357805229.db2.gz MYDXRTOSSWBRJW-HNNXBMFYSA-N 1 0 304.350 1.868 20 5 DDBDRO CN(CC(C)(CO)CO)c1ccc2cnccc2c1[N+](=O)[O-] ZINC000599062378 357805692 /nfs/dbraw/zinc/80/56/92/357805692.db2.gz WVVFUPZQURQRGE-UHFFFAOYSA-N 1 0 305.334 1.570 20 5 DDBDRO NC(=O)[C@H]1C[C@H]([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000599071595 357807848 /nfs/dbraw/zinc/80/78/48/357807848.db2.gz YILRYVPFIIQUAX-MGPQQGTHSA-N 1 0 303.362 1.769 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000599105670 357816946 /nfs/dbraw/zinc/81/69/46/357816946.db2.gz PNMYRBOILOOHHG-MNOVXSKESA-N 1 0 313.379 1.322 20 5 DDBDRO CN(C(=O)CNc1ccccc1[N+](=O)[O-])[C@H]1C[NH+]2CCC1CC2 ZINC000347915175 283299948 /nfs/dbraw/zinc/29/99/48/283299948.db2.gz ILSZFEUHYWMQBZ-HNNXBMFYSA-N 1 0 318.377 1.559 20 5 DDBDRO C[NH2+]CCOCCN(C)C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000599611587 357992510 /nfs/dbraw/zinc/99/25/10/357992510.db2.gz KTUAMBAUTIERGE-UHFFFAOYSA-N 1 0 310.354 1.603 20 5 DDBDRO C[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C[C@H]1C[C@@H](O)C1 ZINC000599671902 358018164 /nfs/dbraw/zinc/01/81/64/358018164.db2.gz KOGYQRBUCVLDAF-VDISTLRHSA-N 1 0 319.361 1.187 20 5 DDBDRO CC(C)[C@H]1C[NH2+]CCN1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000599910029 358078874 /nfs/dbraw/zinc/07/88/74/358078874.db2.gz KJBOGPVDBXCMKT-CQSZACIVSA-N 1 0 306.366 1.734 20 5 DDBDRO C[C@]1(CO)C[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C[C@@]1(C)CO ZINC000600204048 358155853 /nfs/dbraw/zinc/15/58/53/358155853.db2.gz NYCZTDZRKLJQPL-VWEWPCDYSA-N 1 0 320.389 1.921 20 5 DDBDRO O=C(Cn1ccc([N+](=O)[O-])n1)NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000600229135 358163707 /nfs/dbraw/zinc/16/37/07/358163707.db2.gz PWLAWDBKMXZPGW-ZDUSSCGKSA-N 1 0 321.381 1.315 20 5 DDBDRO C[C@@H]1CN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)[C@H](C)C[NH2+]1 ZINC000237406192 202255749 /nfs/dbraw/zinc/25/57/49/202255749.db2.gz GJQPYLVMNOGMGN-CHWSQXEVSA-N 1 0 320.393 1.996 20 5 DDBDRO CC[NH2+][C@@H](C)CNC(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1 ZINC000358912692 299278892 /nfs/dbraw/zinc/27/88/92/299278892.db2.gz FPLQEEVKHYRBIW-VIFPVBQESA-N 1 0 311.338 1.340 20 5 DDBDRO C[NH+](C)C[C@]1(O)CCCN(c2c(Cl)cncc2[N+](=O)[O-])C1 ZINC000601189034 358440132 /nfs/dbraw/zinc/44/01/32/358440132.db2.gz OLNVXNDWGPYRRN-CYBMUJFWSA-N 1 0 314.773 1.536 20 5 DDBDRO Cc1ccc(S(=O)(=O)N2CC(C[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000601424008 358546442 /nfs/dbraw/zinc/54/64/42/358546442.db2.gz UIBQATADNXMMPM-UHFFFAOYSA-N 1 0 313.379 1.085 20 5 DDBDRO CC[C@H](C(=O)N[C@@](C)(CO)c1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000601775626 358689720 /nfs/dbraw/zinc/68/97/20/358689720.db2.gz GQPHFJGCRNNMSC-HIFRSBDPSA-N 1 0 309.366 1.259 20 5 DDBDRO O=[N+]([O-])c1cn(C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000601953302 358751153 /nfs/dbraw/zinc/75/11/53/358751153.db2.gz DXNQTOIYSIPRIM-HNNXBMFYSA-N 1 0 302.334 1.428 20 5 DDBDRO COc1ccc(CNC(=O)C2(C[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000602079348 358803163 /nfs/dbraw/zinc/80/31/63/358803163.db2.gz DZAWTLVZWPUTHI-UHFFFAOYSA-N 1 0 307.350 1.561 20 5 DDBDRO CN1CCC[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000602526495 359027600 /nfs/dbraw/zinc/02/76/00/359027600.db2.gz KOPKPSQEKOQTKL-CQSZACIVSA-N 1 0 319.409 1.642 20 5 DDBDRO C[C@@H]1CN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C[C@H]1[NH3+] ZINC000602509660 359018909 /nfs/dbraw/zinc/01/89/09/359018909.db2.gz GOCFENFNRUWGAJ-BXUZGUMPSA-N 1 0 303.362 1.822 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CC[C@@H]3CCOC3)CC2)cn1 ZINC000602606444 359069407 /nfs/dbraw/zinc/06/94/07/359069407.db2.gz DLRQKSXUIGFCFX-CYBMUJFWSA-N 1 0 320.393 1.975 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000602769910 359178391 /nfs/dbraw/zinc/17/83/91/359178391.db2.gz XIBOWZZJKUOYKO-LBPRGKRZSA-N 1 0 304.354 1.702 20 5 DDBDRO COCCNC(=O)C1([NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000602687028 359126179 /nfs/dbraw/zinc/12/61/79/359126179.db2.gz HGXQRPSRZBDANY-UHFFFAOYSA-N 1 0 307.350 1.022 20 5 DDBDRO COC(=O)CCC1CC[NH+](CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000602789549 359193162 /nfs/dbraw/zinc/19/31/62/359193162.db2.gz XHTRRLLTKRGCQL-UHFFFAOYSA-N 1 0 324.381 1.765 20 5 DDBDRO C[C@@H]1CC(C)(C)C[C@@](CO)([NH2+]Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602793212 359195025 /nfs/dbraw/zinc/19/50/25/359195025.db2.gz HXJNLILJEOHGSZ-ABAIWWIYSA-N 1 0 310.398 1.995 20 5 DDBDRO Cn1cncc1CC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000602817943 359212742 /nfs/dbraw/zinc/21/27/42/359212742.db2.gz KNKAFDZZAMFLLQ-UHFFFAOYSA-N 1 0 304.354 1.404 20 5 DDBDRO CC1([NH+]2CCCC2)CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000602949216 359315618 /nfs/dbraw/zinc/31/56/18/359315618.db2.gz GIMAUCJBPMXAKL-UHFFFAOYSA-N 1 0 307.398 1.742 20 5 DDBDRO Cc1cncc([N+](=O)[O-])c1NC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000602951869 359316861 /nfs/dbraw/zinc/31/68/61/359316861.db2.gz KFVMVHBYMRRQCG-NSHDSACASA-N 1 0 307.354 1.136 20 5 DDBDRO COc1cc(Cn2cc(C[NH2+]C3CC3)nn2)c([N+](=O)[O-])cc1F ZINC000603236119 359504439 /nfs/dbraw/zinc/50/44/39/359504439.db2.gz GSLZYFCWBOMKGC-UHFFFAOYSA-N 1 0 321.312 1.634 20 5 DDBDRO CN(CCCC[NH+]1CCCCC1)C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000603407218 359621559 /nfs/dbraw/zinc/62/15/59/359621559.db2.gz QUVAIEKPFGVOIV-UHFFFAOYSA-N 1 0 309.370 1.656 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H]2CSCC[NH2+]2)c1 ZINC000603418624 359628597 /nfs/dbraw/zinc/62/85/97/359628597.db2.gz HUSNZFNKHBXGGI-SNVBAGLBSA-N 1 0 311.363 1.498 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000603553645 359658196 /nfs/dbraw/zinc/65/81/96/359658196.db2.gz WHFYNGSJVNVLEV-UHFFFAOYSA-N 1 0 306.366 1.634 20 5 DDBDRO C[C@@H]1C[C@@H](N(C)C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000187123666 200064827 /nfs/dbraw/zinc/06/48/27/200064827.db2.gz VWIIABPBVOHXGG-KOLCDFICSA-N 1 0 308.338 1.250 20 5 DDBDRO C[C@H](C[NH3+])CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000237585531 202292684 /nfs/dbraw/zinc/29/26/84/202292684.db2.gz QVGIAKUVPKDAMJ-SNVBAGLBSA-N 1 0 303.322 1.105 20 5 DDBDRO Cc1nc(N2CCC(OCC[NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000348371879 283486332 /nfs/dbraw/zinc/48/63/32/283486332.db2.gz YHXXJAFMOOXMFC-UHFFFAOYSA-N 1 0 308.382 1.845 20 5 DDBDRO Cc1nn(CCC(=O)NCC2([NH3+])CCCCC2)c(C)c1[N+](=O)[O-] ZINC000237871973 202376300 /nfs/dbraw/zinc/37/63/00/202376300.db2.gz JCFGBFAMYONQHO-UHFFFAOYSA-N 1 0 323.397 1.576 20 5 DDBDRO C[C@H]1[C@@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CCS1(=O)=O ZINC000579376238 422760296 /nfs/dbraw/zinc/76/02/96/422760296.db2.gz KANNUKZGNRMDOC-TVYUQYBPSA-N 1 0 310.375 1.747 20 5 DDBDRO Cc1c(NC(=O)[C@H](C)[N@H+](C)C[C@@H](O)C2CC2)cccc1[N+](=O)[O-] ZINC000611207336 360660427 /nfs/dbraw/zinc/66/04/27/360660427.db2.gz ZWJLJSLNDFXJLZ-XHDPSFHLSA-N 1 0 321.377 1.933 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])c(N[C@H](C)CN2CC[NH+](C)CC2)n1 ZINC000359083676 299323564 /nfs/dbraw/zinc/32/35/64/299323564.db2.gz PFAWLJVZRWHGCW-CYBMUJFWSA-N 1 0 307.398 1.654 20 5 DDBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2c2cc(N)c([N+](=O)[O-])c(CO)c2)C1 ZINC000618898194 363787576 /nfs/dbraw/zinc/78/75/76/363787576.db2.gz ZYFLWGBOGOPOMC-ABAIWWIYSA-N 1 0 320.393 1.590 20 5 DDBDRO O=C(C[C@H]1CCC[NH2+]1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000194019056 201164342 /nfs/dbraw/zinc/16/43/42/201164342.db2.gz JGZMOZFFHLFMIG-CYBMUJFWSA-N 1 0 318.377 1.386 20 5 DDBDRO Cc1nn(C)c(C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000194913707 201309674 /nfs/dbraw/zinc/30/96/74/201309674.db2.gz WNJWEJQFEBYLFK-LBPRGKRZSA-N 1 0 323.397 1.487 20 5 DDBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195215161 201359920 /nfs/dbraw/zinc/35/99/20/201359920.db2.gz QOPUIOJJDQTWEV-TXEJJXNPSA-N 1 0 304.350 1.075 20 5 DDBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CCC(=O)NC2)cc1[N+](=O)[O-] ZINC000349206368 283873825 /nfs/dbraw/zinc/87/38/25/283873825.db2.gz ACIQIVNYTDENKS-JQWIXIFHSA-N 1 0 307.350 1.923 20 5 DDBDRO [NH3+]CCCN(CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000359277112 299391154 /nfs/dbraw/zinc/39/11/54/299391154.db2.gz NDMCHHVVWIGHIS-UHFFFAOYSA-N 1 0 303.366 1.642 20 5 DDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261848545 203132979 /nfs/dbraw/zinc/13/29/79/203132979.db2.gz QELJHRYLOUZEIG-OKILXGFUSA-N 1 0 303.362 1.595 20 5 DDBDRO [NH3+][C@@H](C(=O)NCCc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000261996163 203169368 /nfs/dbraw/zinc/16/93/68/203169368.db2.gz NDNMIWFVNWVFHL-CQSZACIVSA-N 1 0 307.350 1.007 20 5 DDBDRO COCC1(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC[NH2+]CC1 ZINC000261920758 203151816 /nfs/dbraw/zinc/15/18/16/203151816.db2.gz RMKLPXQXNXSUSS-UHFFFAOYSA-N 1 0 321.377 1.270 20 5 DDBDRO CN(CC(C)(C)C[NH3+])C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000262582146 203338378 /nfs/dbraw/zinc/33/83/78/203338378.db2.gz KTTVXLCGGASETC-UHFFFAOYSA-N 1 0 305.338 1.528 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)NCC[C@H]1CC[NH2+]C1 ZINC000262586972 203341557 /nfs/dbraw/zinc/34/15/57/203341557.db2.gz PETUOMHORJQXRJ-SNVBAGLBSA-N 1 0 311.313 1.229 20 5 DDBDRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000262618009 203352616 /nfs/dbraw/zinc/35/26/16/203352616.db2.gz HYRDKEZIGNZMNB-RKDXNWHRSA-N 1 0 310.329 1.516 20 5 DDBDRO Cc1nn(CCC(=O)N[C@@H]2CC[C@@H]([NH+](C)C)C2)c(C)c1[N+](=O)[O-] ZINC000093797003 193309450 /nfs/dbraw/zinc/30/94/50/193309450.db2.gz KWFURGNEKQCUHR-CHWSQXEVSA-N 1 0 323.397 1.397 20 5 DDBDRO COC[C@@](C)(CC(=O)OC)[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000350324724 284182880 /nfs/dbraw/zinc/18/28/80/284182880.db2.gz XLAJFDQAJLDXTF-OAHLLOKOSA-N 1 0 310.350 1.961 20 5 DDBDRO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@H](C)[NH+](C)C ZINC000094780113 193397508 /nfs/dbraw/zinc/39/75/08/193397508.db2.gz IXAAERLOFVECJZ-VIFPVBQESA-N 1 0 319.358 1.271 20 5 DDBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000288249699 220042674 /nfs/dbraw/zinc/04/26/74/220042674.db2.gz GAFYIULEFCMPGT-CHWSQXEVSA-N 1 0 321.381 1.267 20 5 DDBDRO CC[N@H+](C)CCNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000134642095 284333487 /nfs/dbraw/zinc/33/34/87/284333487.db2.gz HICPCRHKYROFKP-UHFFFAOYSA-N 1 0 304.350 1.687 20 5 DDBDRO Cc1n[nH]c(C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)c1[N+](=O)[O-] ZINC000266057629 205064229 /nfs/dbraw/zinc/06/42/29/205064229.db2.gz AFCCMVZUEGIFCK-LBPRGKRZSA-N 1 0 321.381 1.574 20 5 DDBDRO CCc1n[nH]c(C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000266445136 205352544 /nfs/dbraw/zinc/35/25/44/205352544.db2.gz BGXIXVPMJRKZAG-LLVKDONJSA-N 1 0 323.397 1.827 20 5 DDBDRO C[N@H+](CCc1ccccc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266503631 205393496 /nfs/dbraw/zinc/39/34/96/205393496.db2.gz XIGAYAMFTLLMKR-OAHLLOKOSA-N 1 0 304.350 1.327 20 5 DDBDRO O=C(N[C@H](CO)C[NH+]1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000288462430 220157438 /nfs/dbraw/zinc/15/74/38/220157438.db2.gz JZRYWRCEWHQSAM-LBPRGKRZSA-N 1 0 307.350 1.171 20 5 DDBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000288473187 220165135 /nfs/dbraw/zinc/16/51/35/220165135.db2.gz QNGMAAAPGGREKA-WCQYABFASA-N 1 0 318.377 1.876 20 5 DDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NC2CC[NH2+]CC2)c(Cl)c1 ZINC000019232188 182110182 /nfs/dbraw/zinc/11/01/82/182110182.db2.gz ZVIIBDNTAWKEKD-UHFFFAOYSA-N 1 0 319.770 1.279 20 5 DDBDRO O=C(NC[C@@H]1C[NH2+]CCCO1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000390124199 307293353 /nfs/dbraw/zinc/29/33/53/307293353.db2.gz FZLGFUMOWAGROZ-JTQLQIEISA-N 1 0 313.741 1.357 20 5 DDBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)NCC1CC[NH2+]CC1 ZINC000567031146 304193420 /nfs/dbraw/zinc/19/34/20/304193420.db2.gz JVZDLHDXSQXIQH-UHFFFAOYSA-N 1 0 306.366 1.436 20 5 DDBDRO Cc1nccn1CC[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000567042636 304193984 /nfs/dbraw/zinc/19/39/84/304193984.db2.gz PAZNFFIBOWHOIZ-ZDUSSCGKSA-N 1 0 320.349 1.129 20 5 DDBDRO C[NH+](C)CC(C)(C)CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000102486982 193892504 /nfs/dbraw/zinc/89/25/04/193892504.db2.gz QPEXJAWNGJQPKP-UHFFFAOYSA-N 1 0 311.386 1.230 20 5 DDBDRO O=C(c1n[nH]cc1[N+](=O)[O-])N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000132198134 284767217 /nfs/dbraw/zinc/76/72/17/284767217.db2.gz OEUKJOFUIRGNJN-LLVKDONJSA-N 1 0 307.354 1.408 20 5 DDBDRO C[NH+](C)[C@@H]1CCCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000109805554 194288092 /nfs/dbraw/zinc/28/80/92/194288092.db2.gz IIJQUVHRQCYENK-CYBMUJFWSA-N 1 0 320.393 1.949 20 5 DDBDRO CSc1ccc(C(=O)NC[C@@H]2CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000110653772 194346623 /nfs/dbraw/zinc/34/66/23/194346623.db2.gz VGIDGPZWWIGNEB-JTQLQIEISA-N 1 0 309.391 1.998 20 5 DDBDRO O=C(CN1CCC[NH2+]CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000061270857 184167412 /nfs/dbraw/zinc/16/74/12/184167412.db2.gz GMSLUOHJCQDMKE-UHFFFAOYSA-N 1 0 312.757 1.482 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC(C)(C)C[NH3+])c1C ZINC000063020544 184267404 /nfs/dbraw/zinc/26/74/04/184267404.db2.gz ISXYGNRERYDMPW-UHFFFAOYSA-N 1 0 301.368 1.227 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000065731992 184377852 /nfs/dbraw/zinc/37/78/52/184377852.db2.gz UCIOAGLYQUOBLT-UHFFFAOYSA-N 1 0 317.349 1.800 20 5 DDBDRO COc1ccc(CNC(=O)[C@@H]2CCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000269268942 207414445 /nfs/dbraw/zinc/41/44/45/207414445.db2.gz WFAVQZDJYKUVPD-NEPJUHHUSA-N 1 0 307.350 1.737 20 5 DDBDRO COc1cc(N2CCC[N@H+](CCO)CC2)c(F)cc1[N+](=O)[O-] ZINC000119633608 195006691 /nfs/dbraw/zinc/00/66/91/195006691.db2.gz ONQLDDGFXAWYJH-UHFFFAOYSA-N 1 0 313.329 1.247 20 5 DDBDRO O=C(C[N@H+](CCO)CC1CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000352489508 285086675 /nfs/dbraw/zinc/08/66/75/285086675.db2.gz AXNBPBFGWJCIJX-UHFFFAOYSA-N 1 0 319.361 1.188 20 5 DDBDRO O=[N+]([O-])c1cc(F)ccc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000267399805 285095854 /nfs/dbraw/zinc/09/58/54/285095854.db2.gz PEYMDEKRMJWUKL-GFCCVEGCSA-N 1 0 309.341 1.892 20 5 DDBDRO C[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C[C@H]1CCCCO1 ZINC000272969451 210352872 /nfs/dbraw/zinc/35/28/72/210352872.db2.gz BETPXVWPUCPMJR-ZIAGYGMSSA-N 1 0 324.377 1.835 20 5 DDBDRO Cn1cc(C[N@@H+]2CCC[C@@H](O)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000158749109 197297940 /nfs/dbraw/zinc/29/79/40/197297940.db2.gz HHIRCFUHZUXURE-OAHLLOKOSA-N 1 0 316.361 1.952 20 5 DDBDRO CCCCNC(=O)C1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000157960839 197230800 /nfs/dbraw/zinc/23/08/00/197230800.db2.gz SNCRHMMWDAAHCM-UHFFFAOYSA-N 1 0 323.397 1.420 20 5 DDBDRO COC[C@H]1CCCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000452035169 533130374 /nfs/dbraw/zinc/13/03/74/533130374.db2.gz GDRVOODIDLLGDF-KGLIPLIRSA-N 1 0 324.377 1.835 20 5 DDBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000157152723 197165932 /nfs/dbraw/zinc/16/59/32/197165932.db2.gz SIUOQMCXZLWAGP-DGCLKSJQSA-N 1 0 318.377 1.733 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](CO)C(C)C ZINC000156371962 197107889 /nfs/dbraw/zinc/10/78/89/197107889.db2.gz LURNZQDCYNNKNE-GFCCVEGCSA-N 1 0 311.338 1.148 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@H]1CCC[C@@H]1O ZINC000352687915 285228355 /nfs/dbraw/zinc/22/83/55/285228355.db2.gz ACFUCHFWQHXUSX-STQMWFEESA-N 1 0 323.349 1.387 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H](C)[C@H]([NH3+])[C@@H]2C)c1 ZINC000297444594 533212322 /nfs/dbraw/zinc/21/23/22/533212322.db2.gz VJILVAKXEFDXAL-BHDSKKPTSA-N 1 0 307.350 1.801 20 5 DDBDRO Cc1ccc(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])nc1 ZINC001120488222 781978837 /nfs/dbraw/zinc/97/88/37/781978837.db2.gz URICYGBOFCFHNN-CQSZACIVSA-N 1 0 317.345 1.828 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@H](C)[NH2+]C[C@H]1C ZINC000414662654 533226300 /nfs/dbraw/zinc/22/63/00/533226300.db2.gz ZLWPSSNMCDJCBP-VHSXEESVSA-N 1 0 308.338 1.818 20 5 DDBDRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000418569307 533672254 /nfs/dbraw/zinc/67/22/54/533672254.db2.gz HWDFECZBMVUVRF-SWLSCSKDSA-N 1 0 320.393 1.777 20 5 DDBDRO O=C(COc1ccccc1[N+](=O)[O-])N1CCC2(CC[NH2+]2)CC1 ZINC000568628791 304302820 /nfs/dbraw/zinc/30/28/20/304302820.db2.gz AWSYPICHLKOJPN-UHFFFAOYSA-N 1 0 305.334 1.328 20 5 DDBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC(CC[NH3+])CC1 ZINC000568871255 304317841 /nfs/dbraw/zinc/31/78/41/304317841.db2.gz DHBZBTBGYLRZLO-LBPRGKRZSA-N 1 0 320.393 1.983 20 5 DDBDRO CC1(C)CCC[N@@H+]1CCNC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000579731468 422823036 /nfs/dbraw/zinc/82/30/36/422823036.db2.gz URULXVWATATJOB-UHFFFAOYSA-N 1 0 307.354 1.176 20 5 DDBDRO Cn1nc([N+](=O)[O-])cc1C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000360616724 299706257 /nfs/dbraw/zinc/70/62/57/299706257.db2.gz CNOUYFRZJKEAGA-UHFFFAOYSA-N 1 0 309.370 1.180 20 5 DDBDRO COc1ccc([C@H](C[NH3+])Cn2cc([N+](=O)[O-])c(C)cc2=O)cc1 ZINC000569966853 304388269 /nfs/dbraw/zinc/38/82/69/304388269.db2.gz OGIWTHIPEJFDMZ-CYBMUJFWSA-N 1 0 317.345 1.816 20 5 DDBDRO CC[C@H](Cc1ccccc1)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000570036805 304391203 /nfs/dbraw/zinc/39/12/03/304391203.db2.gz HLDVJGTWXFDZGG-GDBMZVCRSA-N 1 0 318.377 1.763 20 5 DDBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@H](C)N1CC[NH+](C)CC1 ZINC000360960366 299782953 /nfs/dbraw/zinc/78/29/53/299782953.db2.gz KWUJWSXHEXOGKO-NSHDSACASA-N 1 0 310.402 1.167 20 5 DDBDRO C[C@H](Cc1cccs1)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000071269860 406836236 /nfs/dbraw/zinc/83/62/36/406836236.db2.gz SFROQYDMHXXLSK-PWSUYJOCSA-N 1 0 310.379 1.435 20 5 DDBDRO CN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000071310248 406837025 /nfs/dbraw/zinc/83/70/25/406837025.db2.gz NMLPRDTWWAXEBG-SECBINFHSA-N 1 0 319.770 1.231 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC[C@H]2CCC[NH2+]2)c1C ZINC000053254409 407164919 /nfs/dbraw/zinc/16/49/19/407164919.db2.gz JMRNSXWKKRADQJ-LLVKDONJSA-N 1 0 313.379 1.242 20 5 DDBDRO C[NH2+][C@@H]1CCCN(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000053202821 407165715 /nfs/dbraw/zinc/16/57/15/407165715.db2.gz DUGWGHKQZGTOPX-LLVKDONJSA-N 1 0 313.379 1.276 20 5 DDBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000055389450 407201758 /nfs/dbraw/zinc/20/17/58/407201758.db2.gz WMMAKOZLIJRFSL-CHWSQXEVSA-N 1 0 323.397 1.276 20 5 DDBDRO C[C@H]1C[C@H](N(C)C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC[N@@H+]1C ZINC000123246561 407323824 /nfs/dbraw/zinc/32/38/24/407323824.db2.gz WHTUENXVUYFUOZ-NWDGAFQWSA-N 1 0 323.397 1.468 20 5 DDBDRO COc1cc(C[NH2+]CCc2cnn(C)c2)c([N+](=O)[O-])cc1O ZINC000101593981 407312602 /nfs/dbraw/zinc/31/26/02/407312602.db2.gz XYVSZYPIRNKPKK-UHFFFAOYSA-N 1 0 306.322 1.375 20 5 DDBDRO C[C@@H](CC[NH+](C)C)NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000266037076 286806381 /nfs/dbraw/zinc/80/63/81/286806381.db2.gz TVKNUKNDHFKUQJ-NSHDSACASA-N 1 0 315.395 1.354 20 5 DDBDRO O=C(Nc1ccncc1[N+](=O)[O-])N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000124579596 407362955 /nfs/dbraw/zinc/36/29/55/407362955.db2.gz VTXLLEWYWAQZRX-LLVKDONJSA-N 1 0 303.322 1.468 20 5 DDBDRO CC[C@H]([NH3+])CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000111304071 407407068 /nfs/dbraw/zinc/40/70/68/407407068.db2.gz AAIGBFRZURKLBV-ZETCQYMHSA-N 1 0 307.759 1.264 20 5 DDBDRO CCCC[N@H+](C)CCNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000112310097 407425671 /nfs/dbraw/zinc/42/56/71/407425671.db2.gz ZOXDXTMIFXQLHP-UHFFFAOYSA-N 1 0 309.366 1.822 20 5 DDBDRO Cc1n[nH]c(C(=O)N2CCC(CCC[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000271007252 407466838 /nfs/dbraw/zinc/46/68/38/407466838.db2.gz WULFAFFHPVIZGR-UHFFFAOYSA-N 1 0 323.397 1.820 20 5 DDBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2N)[C@H](C)C1 ZINC000185725536 407488580 /nfs/dbraw/zinc/48/85/80/407488580.db2.gz HTXYQYWGNXIRSH-ABAIWWIYSA-N 1 0 320.393 1.979 20 5 DDBDRO CCS(=O)(=O)NCCC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000127698491 407454877 /nfs/dbraw/zinc/45/48/77/407454877.db2.gz BIXKXZFTQQHHBJ-NSHDSACASA-N 1 0 315.395 1.575 20 5 DDBDRO COC[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000265794801 407456726 /nfs/dbraw/zinc/45/67/26/407456726.db2.gz MYMBIOUOXNCPSH-VXGBXAGGSA-N 1 0 307.350 1.890 20 5 DDBDRO CCC[NH2+]CCNC(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1 ZINC000261692111 407581717 /nfs/dbraw/zinc/58/17/17/407581717.db2.gz RYBXEXZPBPTRMA-UHFFFAOYSA-N 1 0 311.338 1.341 20 5 DDBDRO Cc1nn(C)c(C(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000128548459 407548856 /nfs/dbraw/zinc/54/88/56/407548856.db2.gz CLDIVELLORBZQE-WDEREUQCSA-N 1 0 323.397 1.487 20 5 DDBDRO O=[N+]([O-])c1cccc(-c2noc(CN3CCC[NH2+]CC3)n2)c1 ZINC000261817004 407626672 /nfs/dbraw/zinc/62/66/72/407626672.db2.gz AKLXVBZETLJCEF-UHFFFAOYSA-N 1 0 303.322 1.440 20 5 DDBDRO C[C@]1(C[NH3+])CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000261824362 407629091 /nfs/dbraw/zinc/62/90/91/407629091.db2.gz HZXIAFVKFMIGQM-MRXNPFEDSA-N 1 0 320.393 1.984 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@H](C3OCCO3)C2)c1 ZINC000178859899 407630865 /nfs/dbraw/zinc/63/08/65/407630865.db2.gz WGOPHAAYUSPEPK-DZGCQCFKSA-N 1 0 322.361 1.713 20 5 DDBDRO CO[C@@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)[C@H](C[NH3+])C1 ZINC000261827865 407631926 /nfs/dbraw/zinc/63/19/26/407631926.db2.gz BCNZGRUPDZFWSU-UONOGXRCSA-N 1 0 307.350 1.102 20 5 DDBDRO CN(CC(=O)Nc1ccccc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261844272 407639154 /nfs/dbraw/zinc/63/91/54/407639154.db2.gz YZLVZVDBIACMQV-FUNVUKJBSA-N 1 0 318.377 1.748 20 5 DDBDRO C[C@@H]([NH3+])[C@H]1CCCN(CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000261850751 407641612 /nfs/dbraw/zinc/64/16/12/407641612.db2.gz DLJGIGAKBCLUHQ-NEPJUHHUSA-N 1 0 306.366 1.593 20 5 DDBDRO C[NH2+]CC1CCN(C(=O)c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000152258254 407593811 /nfs/dbraw/zinc/59/38/11/407593811.db2.gz DQSXNDUXUFLVOD-UHFFFAOYSA-N 1 0 307.350 1.675 20 5 DDBDRO C[C@@H]([NH3+])[C@H]1CCCCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000261930199 407678662 /nfs/dbraw/zinc/67/86/62/407678662.db2.gz JIVFGAKWZITOSO-ZWNOBZJWSA-N 1 0 306.366 1.395 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000115436588 407681037 /nfs/dbraw/zinc/68/10/37/407681037.db2.gz DEFCFJGWPWKJDD-CYBMUJFWSA-N 1 0 323.397 1.290 20 5 DDBDRO C[C@@]1(C[NH3+])CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000262132357 407748430 /nfs/dbraw/zinc/74/84/30/407748430.db2.gz WSSJARUPZJBHMJ-AWEZNQCLSA-N 1 0 311.769 1.988 20 5 DDBDRO CCNC(=O)NC(=O)CN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153249819 407785117 /nfs/dbraw/zinc/78/51/17/407785117.db2.gz GYYHLKRJYPWQMN-UHFFFAOYSA-N 1 0 320.349 1.405 20 5 DDBDRO C[C@@H]1CN(C(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])[C@H](C)C[NH2+]1 ZINC000237463489 407821695 /nfs/dbraw/zinc/82/16/95/407821695.db2.gz QBRLMXRXHKWRGY-JYBZGJHDSA-N 1 0 307.325 1.956 20 5 DDBDRO Cn1cc(C[N@H+](CCO)C2CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000153592120 407857786 /nfs/dbraw/zinc/85/77/86/407857786.db2.gz CRRGFQHPEAFECC-UHFFFAOYSA-N 1 0 316.361 1.952 20 5 DDBDRO C[C@@H]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000262554803 407864849 /nfs/dbraw/zinc/86/48/49/407864849.db2.gz TWNBTKQQZQVJQZ-MFKMUULPSA-N 1 0 306.366 1.110 20 5 DDBDRO O=C([C@H]1CCC[NH2+]1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000237998962 407865614 /nfs/dbraw/zinc/86/56/14/407865614.db2.gz ACUJZBGCNCKHRO-OAHLLOKOSA-N 1 0 319.361 1.717 20 5 DDBDRO [NH3+]C[C@H]1CCCN1C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000238030401 407871835 /nfs/dbraw/zinc/87/18/35/407871835.db2.gz ZRTSTGWQJRSEMZ-CQSZACIVSA-N 1 0 306.366 1.737 20 5 DDBDRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000262607301 407880473 /nfs/dbraw/zinc/88/04/73/407880473.db2.gz CCTDCWIKBSAMRH-CHWSQXEVSA-N 1 0 321.377 1.997 20 5 DDBDRO Cc1c(NC(=O)C(=O)NCC[N@@H+](C)C(C)C)cccc1[N+](=O)[O-] ZINC000118123365 407900020 /nfs/dbraw/zinc/90/00/20/407900020.db2.gz PALMDZPEYULKQY-UHFFFAOYSA-N 1 0 322.365 1.298 20 5 DDBDRO Cn1cc(C(=O)N2CC[C@H]([NH3+])C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237882736 407846921 /nfs/dbraw/zinc/84/69/21/407846921.db2.gz WBMXHEDDTQIWAX-NSHDSACASA-N 1 0 315.333 1.169 20 5 DDBDRO CNC(=O)c1ccc(N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000267599236 407849252 /nfs/dbraw/zinc/84/92/52/407849252.db2.gz JBFABSXIDMFDPH-WCQYABFASA-N 1 0 320.393 1.731 20 5 DDBDRO COC[C@@]1(C(=O)NCc2cccc([N+](=O)[O-])c2C)CC[NH2+]C1 ZINC000262498938 407850087 /nfs/dbraw/zinc/85/00/87/407850087.db2.gz LSQJXAUEQCFTHQ-OAHLLOKOSA-N 1 0 307.350 1.146 20 5 DDBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000268216224 407951419 /nfs/dbraw/zinc/95/14/19/407951419.db2.gz PNXGBLYEUFLPCL-SKDRFNHKSA-N 1 0 304.350 1.390 20 5 DDBDRO COc1cc(C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000268162933 407923111 /nfs/dbraw/zinc/92/31/11/407923111.db2.gz ILSBHFSSDNCDSJ-GWCFXTLKSA-N 1 0 319.361 1.816 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[NH2+][C@@H](C)[C@@H]1C ZINC000262786288 407929999 /nfs/dbraw/zinc/92/99/99/407929999.db2.gz QLKYESDILCDMDK-QWRGUYRKSA-N 1 0 313.379 1.274 20 5 DDBDRO O=C(c1n[nH]c2c1C[NH2+]CC2)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000188292595 407932910 /nfs/dbraw/zinc/93/29/10/407932910.db2.gz TXEXCTBIWGGGAQ-UHFFFAOYSA-N 1 0 313.317 1.167 20 5 DDBDRO C[C@@]1(CNC(=O)CCNc2ccccc2[N+](=O)[O-])CCC[NH2+]C1 ZINC000273034245 408025903 /nfs/dbraw/zinc/02/59/03/408025903.db2.gz SUAIVXPKLLDQQH-MRXNPFEDSA-N 1 0 320.393 1.903 20 5 DDBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CC[NH2+]C1 ZINC000273038526 408030190 /nfs/dbraw/zinc/03/01/90/408030190.db2.gz OKYTXWCYBOADJB-QWRGUYRKSA-N 1 0 309.391 1.801 20 5 DDBDRO CC[C@H]([NH2+][C@H](C)C(=O)NCC(=O)OC)c1cccc([N+](=O)[O-])c1 ZINC000181540065 408007532 /nfs/dbraw/zinc/00/75/32/408007532.db2.gz QBVYPUYIAJSENU-MFKMUULPSA-N 1 0 323.349 1.313 20 5 DDBDRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000137398995 408153876 /nfs/dbraw/zinc/15/38/76/408153876.db2.gz HSXOLVZQDWWPKX-LBPRGKRZSA-N 1 0 317.349 1.221 20 5 DDBDRO CC[C@H]([NH2+]CCCNS(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000121222899 408167889 /nfs/dbraw/zinc/16/78/89/408167889.db2.gz HBPJGEGPVUTHKV-ZDUSSCGKSA-N 1 0 315.395 1.575 20 5 DDBDRO CC[N@H+](CCO)CCNC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000190785775 408318521 /nfs/dbraw/zinc/31/85/21/408318521.db2.gz BBFFXTNGPMYYAC-UHFFFAOYSA-N 1 0 323.393 1.762 20 5 DDBDRO C[NH+](C)C[C@@H]1CCCN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000263938635 408322081 /nfs/dbraw/zinc/32/20/81/408322081.db2.gz YNMYFEMPKYYSKX-ZDUSSCGKSA-N 1 0 307.350 1.526 20 5 DDBDRO COc1ccc(OCC[N@@H+]2CC[C@H]([C@H](C)O)C2)c([N+](=O)[O-])c1 ZINC000183197094 408348952 /nfs/dbraw/zinc/34/89/52/408348952.db2.gz MVDYXJUNXOXCFN-RYUDHWBXSA-N 1 0 310.350 1.685 20 5 DDBDRO NC(=O)c1ccc(CN2CCOCC23CCC3)c([N+](=O)[O-])c1 ZINC000135540194 162105293 /nfs/dbraw/zinc/10/52/93/162105293.db2.gz CQWHYTPIFCFIAD-UHFFFAOYSA-N 1 0 305.334 1.449 20 5 DDBDRO Cc1c(NC(=O)[C@@H](C)[N@@H+]2C[C@@H](C)[C@H](CO)C2)cccc1[N+](=O)[O-] ZINC000190924353 408343459 /nfs/dbraw/zinc/34/34/59/408343459.db2.gz NHJIIEZLYDTUFR-RTXFEEFZSA-N 1 0 321.377 1.790 20 5 DDBDRO CC[C@@H]([NH3+])CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000165898181 162163325 /nfs/dbraw/zinc/16/33/25/162163325.db2.gz HSIWVSQCYSNKDK-SECBINFHSA-N 1 0 316.155 1.824 20 5 DDBDRO Nc1c(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cc(F)cc1[N+](=O)[O-] ZINC000171439603 162217822 /nfs/dbraw/zinc/21/78/22/162217822.db2.gz NLVWVVKQMPHAJZ-LLVKDONJSA-N 1 0 322.340 1.626 20 5 DDBDRO CC1CCC([NH+]2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])CC2)CC1 ZINC000160000723 408449402 /nfs/dbraw/zinc/44/94/02/408449402.db2.gz RLEFPGNGQPJKEW-UHFFFAOYSA-N 1 0 321.381 1.654 20 5 DDBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000247369718 408458974 /nfs/dbraw/zinc/45/89/74/408458974.db2.gz KRXSLTVHWKYVIE-CHWSQXEVSA-N 1 0 321.377 1.772 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCCC[N@@H+]2CC)n1 ZINC000191810810 408496737 /nfs/dbraw/zinc/49/67/37/408496737.db2.gz DAIYWXXOYJGKTH-NSHDSACASA-N 1 0 309.370 1.415 20 5 DDBDRO O=C(NCC1CC[NH+](CCO)CC1)c1ccccc1[N+](=O)[O-] ZINC000160575847 408499078 /nfs/dbraw/zinc/49/90/78/408499078.db2.gz KGRKGSISSIWLIR-UHFFFAOYSA-N 1 0 307.350 1.029 20 5 DDBDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000264502049 408514319 /nfs/dbraw/zinc/51/43/19/408514319.db2.gz YFARPEDMWLGIMG-LLVKDONJSA-N 1 0 317.349 1.637 20 5 DDBDRO CC[N@H+](CCO)CCNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000274598734 408465039 /nfs/dbraw/zinc/46/50/39/408465039.db2.gz WPHGTMAKDZRAPB-UHFFFAOYSA-N 1 0 320.349 1.120 20 5 DDBDRO Cc1cc(C(=O)NC[C@H](O)C[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000160311893 408470870 /nfs/dbraw/zinc/47/08/70/408470870.db2.gz BCNQLKJUZSUPMB-AWEZNQCLSA-N 1 0 321.377 1.480 20 5 DDBDRO C[NH+](C)CC[C@H](NC(=O)Cn1ccc([N+](=O)[O-])n1)C(C)(C)C ZINC000265282289 408601692 /nfs/dbraw/zinc/60/16/92/408601692.db2.gz PDFKHDBGFBTDMI-NSHDSACASA-N 1 0 311.386 1.274 20 5 DDBDRO CNC(=O)[C@@H](C)C[N@H+](C)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000184229411 408574258 /nfs/dbraw/zinc/57/42/58/408574258.db2.gz PLGXTWGVGPYFOX-VIFPVBQESA-N 1 0 313.329 1.556 20 5 DDBDRO C[C@@H]1C[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCCO1 ZINC000248479640 408577501 /nfs/dbraw/zinc/57/75/01/408577501.db2.gz ZXVGBDRWWXNVCC-CHWSQXEVSA-N 1 0 310.350 1.445 20 5 DDBDRO C[N@H+]1C[C@H]2CN(C(=O)CCOc3ccccc3[N+](=O)[O-])C[C@H]2C1 ZINC000192469212 408593161 /nfs/dbraw/zinc/59/31/61/408593161.db2.gz PGPMFEZOQWIYQS-BETUJISGSA-N 1 0 319.361 1.384 20 5 DDBDRO C[C@@]1(C(N)=O)CCCCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000248609006 408597697 /nfs/dbraw/zinc/59/76/97/408597697.db2.gz PTKVMDNXRUNWII-HIFRSBDPSA-N 1 0 307.350 1.358 20 5 DDBDRO CS[C@@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)C[C@@H]1[NH+](C)C ZINC000270472331 408542392 /nfs/dbraw/zinc/54/23/92/408542392.db2.gz MASCERNFDFQXOA-UONOGXRCSA-N 1 0 323.418 1.641 20 5 DDBDRO CN(CC[N@H+](C)C1CC1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248686021 408615544 /nfs/dbraw/zinc/61/55/44/408615544.db2.gz HGOXBEFITKWLNQ-CQSZACIVSA-N 1 0 323.393 1.361 20 5 DDBDRO Cc1ccnc(N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000275628870 408626123 /nfs/dbraw/zinc/62/61/23/408626123.db2.gz VQNLXHXGHZKLOH-LBPRGKRZSA-N 1 0 308.382 1.580 20 5 DDBDRO CC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000192660790 408628057 /nfs/dbraw/zinc/62/80/57/408628057.db2.gz VVUVFHFFIKGMSZ-GFCCVEGCSA-N 1 0 313.379 1.357 20 5 DDBDRO CN1CCO[C@@H](CN(CC2CC2)c2ccc([N+](=O)[O-])cn2)C1 ZINC000275696842 408649402 /nfs/dbraw/zinc/64/94/02/408649402.db2.gz MYRMTMFUARYGKI-CQSZACIVSA-N 1 0 306.366 1.537 20 5 DDBDRO COC[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(C)o1 ZINC000184641353 408660790 /nfs/dbraw/zinc/66/07/90/408660790.db2.gz PXIJZLONADHUBA-STQMWFEESA-N 1 0 324.337 1.031 20 5 DDBDRO Cc1c(NC(=O)C(=O)N2CCC[N@@H+](C)CC2)cccc1[N+](=O)[O-] ZINC000162069262 408666911 /nfs/dbraw/zinc/66/69/11/408666911.db2.gz NWQLVGFRUPHQLC-UHFFFAOYSA-N 1 0 320.349 1.006 20 5 DDBDRO CC[C@@H]1C[N@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C[C@H]1O ZINC000270855084 408709525 /nfs/dbraw/zinc/70/95/25/408709525.db2.gz HGYXFZWRMWGFDJ-BXUZGUMPSA-N 1 0 310.350 1.685 20 5 DDBDRO CCC[C@H]1CN(c2ccc([N+](=O)[O-])cn2)CC[N@@H+]1CCOC ZINC000270868121 408716639 /nfs/dbraw/zinc/71/66/39/408716639.db2.gz BBFQEKKFVOBCHC-AWEZNQCLSA-N 1 0 308.382 1.927 20 5 DDBDRO COCC[N@@H+]1CC[C@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000265653650 408730905 /nfs/dbraw/zinc/73/09/05/408730905.db2.gz XZLJFJJBDVHVBS-ZDUSSCGKSA-N 1 0 322.365 1.115 20 5 DDBDRO CN(Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H]1CCN(C)C1=O ZINC000265651521 408731521 /nfs/dbraw/zinc/73/15/21/408731521.db2.gz OKQRURNCSHXISC-ZDUSSCGKSA-N 1 0 321.333 1.124 20 5 DDBDRO Cc1nn(CCC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)c(C)c1[N+](=O)[O-] ZINC000162322386 408688277 /nfs/dbraw/zinc/68/82/77/408688277.db2.gz UORFVLFZLXKYMI-NEPJUHHUSA-N 1 0 309.370 1.184 20 5 DDBDRO NC(=O)[C@@H]1CCCC[C@H]1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000184794555 408691718 /nfs/dbraw/zinc/69/17/18/408691718.db2.gz NBUDTQURKVMDGH-VXGBXAGGSA-N 1 0 307.350 1.607 20 5 DDBDRO COCCN1CCN(C(=O)c2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000194533259 408784979 /nfs/dbraw/zinc/78/49/79/408784979.db2.gz AOIDVBPIGYPENF-UHFFFAOYSA-N 1 0 323.349 1.008 20 5 DDBDRO [NH3+][C@H]1CC[C@H]2CN(C(=O)COc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000185088714 408754781 /nfs/dbraw/zinc/75/47/81/408754781.db2.gz HGBHGCHNYGECGN-GDLCADMTSA-N 1 0 305.334 1.169 20 5 DDBDRO CS(=O)(=O)CCCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000185206498 408779553 /nfs/dbraw/zinc/77/95/53/408779553.db2.gz SDAWWPGMFZMNFK-UHFFFAOYSA-N 1 0 300.380 1.899 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N1CC[NH+]2CCC1CC2 ZINC000188837321 163071752 /nfs/dbraw/zinc/07/17/52/163071752.db2.gz UAXXSDAXOLVHKM-UHFFFAOYSA-N 1 0 305.334 1.280 20 5 DDBDRO CCn1nc(C)c([N+](=O)[O-])c1NCCC[NH+]1CCC(O)CC1 ZINC000192513899 163225439 /nfs/dbraw/zinc/22/54/39/163225439.db2.gz LPWBVZYVWRHTEB-UHFFFAOYSA-N 1 0 311.386 1.378 20 5 DDBDRO C[C@H]1COCC[C@H]1[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000277439631 408941131 /nfs/dbraw/zinc/94/11/31/408941131.db2.gz LFDRRGDPNRBGAF-SMDDNHRTSA-N 1 0 307.350 1.572 20 5 DDBDRO CCCN(CC[NH+]1CCCCC1)c1ncc([N+](=O)[O-])c(N)n1 ZINC000286207677 408942030 /nfs/dbraw/zinc/94/20/30/408942030.db2.gz BIUBMKAWAMEYFA-UHFFFAOYSA-N 1 0 308.386 1.669 20 5 DDBDRO C[N@@H+]1CCN(CCNc2ccc(N)cc2[N+](=O)[O-])CC1(C)C ZINC000286347984 408967590 /nfs/dbraw/zinc/96/75/90/408967590.db2.gz HEKRSCAMQZKCSW-UHFFFAOYSA-N 1 0 307.398 1.615 20 5 DDBDRO C[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[C@H]1O ZINC000286454147 408987507 /nfs/dbraw/zinc/98/75/07/408987507.db2.gz JZUVJRYQXCGMNN-NWANDNLSSA-N 1 0 310.350 1.180 20 5 DDBDRO CO[C@@H]1CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000282271347 409024133 /nfs/dbraw/zinc/02/41/33/409024133.db2.gz HPWSVYHUXSHRAZ-VHDGCEQUSA-N 1 0 324.377 1.834 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@]3(CC[N@H+](C)C3)C2)n1 ZINC000292364792 409027822 /nfs/dbraw/zinc/02/78/22/409027822.db2.gz ROSAVQBQLCGLEG-HNNXBMFYSA-N 1 0 320.349 1.308 20 5 DDBDRO C[C@H]([NH2+][C@@H]1CCOC[C@H]1C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000277900432 409031829 /nfs/dbraw/zinc/03/18/29/409031829.db2.gz OXZJRPDDRNPVKG-UHIISALHSA-N 1 0 307.350 1.936 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@@H](OCc3ccncc3)C2)c1 ZINC000287726292 409083303 /nfs/dbraw/zinc/08/33/03/409083303.db2.gz KJHLIVVVWZCAFS-OAHLLOKOSA-N 1 0 317.349 1.477 20 5 DDBDRO C[C@@H]([NH2+]C[C@@H]1CN(C)CCN1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293668332 409158005 /nfs/dbraw/zinc/15/80/05/409158005.db2.gz JPMLFWIXVHELFN-DGCLKSJQSA-N 1 0 307.398 1.073 20 5 DDBDRO COC[C@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000279155848 409159727 /nfs/dbraw/zinc/15/97/27/409159727.db2.gz ZHMWAYVNCCININ-GXTWGEPZSA-N 1 0 310.350 1.757 20 5 DDBDRO C[NH2+][C@H]1CCCN(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000261766013 163699194 /nfs/dbraw/zinc/69/91/94/163699194.db2.gz NLAODAUHNMUGGJ-LBPRGKRZSA-N 1 0 306.366 1.526 20 5 DDBDRO Cc1cnc(N(C)CCC[N@@H+](C)CCN(C)C)c([N+](=O)[O-])c1 ZINC000289209050 409233203 /nfs/dbraw/zinc/23/32/03/409233203.db2.gz YFDGVLXDWHVCKZ-UHFFFAOYSA-N 1 0 309.414 1.618 20 5 DDBDRO C[C@@H]([NH2+]CCCN1CCC(O)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283891221 409234825 /nfs/dbraw/zinc/23/48/25/409234825.db2.gz COVNKIMKJCWNJM-GFCCVEGCSA-N 1 0 322.409 1.674 20 5 DDBDRO C[NH+](C)CCn1nccc1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000294150988 409250025 /nfs/dbraw/zinc/25/00/25/409250025.db2.gz RMLOPMMWWWKNQI-UHFFFAOYSA-N 1 0 317.349 1.534 20 5 DDBDRO CC(=O)c1ccc(NCCN2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000280282593 409284342 /nfs/dbraw/zinc/28/43/42/409284342.db2.gz DPCAKZVTZRWEEA-UHFFFAOYSA-N 1 0 306.366 1.457 20 5 DDBDRO O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000290224202 409327768 /nfs/dbraw/zinc/32/77/68/409327768.db2.gz UBNOSHUXSVWCQH-IHDARNGBSA-N 1 0 301.346 1.676 20 5 DDBDRO COc1cc(C(=O)NC[C@H](C)C[NH+](C)C)c([N+](=O)[O-])cc1F ZINC000295362820 409449851 /nfs/dbraw/zinc/44/98/51/409449851.db2.gz PDPOUOMCUYCFEE-VIFPVBQESA-N 1 0 313.329 1.670 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@]2(CO)CCc3ccccc32)c1 ZINC000305255590 164001295 /nfs/dbraw/zinc/00/12/95/164001295.db2.gz WJXXPUIMBFNZJM-OAHLLOKOSA-N 1 0 302.334 1.215 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](C)CCC[NH3+] ZINC000313820166 164011489 /nfs/dbraw/zinc/01/14/89/164011489.db2.gz KKORZNLXBAFDGE-VIFPVBQESA-N 1 0 317.367 1.009 20 5 DDBDRO Cc1n[nH]c(C(=O)N2CC[N@@H+](C3CC3)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000295425856 409475493 /nfs/dbraw/zinc/47/54/93/409475493.db2.gz UJKSOZLRZBBUIA-VIFPVBQESA-N 1 0 307.354 1.183 20 5 DDBDRO C[C@H](C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-])CS(C)(=O)=O ZINC000342301911 409568675 /nfs/dbraw/zinc/56/86/75/409568675.db2.gz NKCIRHREEJXORL-GHMZBOCLSA-N 1 0 300.380 1.926 20 5 DDBDRO CNC(=O)c1ccc(N(C)[C@H]2CC[N@@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000354080689 409635836 /nfs/dbraw/zinc/63/58/36/409635836.db2.gz WVVQOHZKOIOJKM-ZDUSSCGKSA-N 1 0 318.377 1.627 20 5 DDBDRO COc1c(C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000331520071 409594244 /nfs/dbraw/zinc/59/42/44/409594244.db2.gz NVPNIHAVQHHCIW-MFKMUULPSA-N 1 0 319.361 1.816 20 5 DDBDRO Cc1sc(C(=O)NCCNc2cc[nH+]cc2)cc1[N+](=O)[O-] ZINC000338070107 409696656 /nfs/dbraw/zinc/69/66/56/409696656.db2.gz NZDHMIGUYUYJMV-UHFFFAOYSA-N 1 0 306.347 1.624 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000342471208 409658711 /nfs/dbraw/zinc/65/87/11/409658711.db2.gz WUPHNLZKBSKSRV-HZMBPMFUSA-N 1 0 319.361 1.816 20 5 DDBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000342474126 409663016 /nfs/dbraw/zinc/66/30/16/409663016.db2.gz NKYCPKNBIQTKAA-XPTSAGLGSA-N 1 0 307.325 1.946 20 5 DDBDRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc([N+](=O)[O-])nn1C ZINC000357038010 409809393 /nfs/dbraw/zinc/80/93/93/409809393.db2.gz MXMJGVPQAQTVDH-GHMZBOCLSA-N 1 0 307.354 1.027 20 5 DDBDRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc([N+](=O)[O-])nn1C ZINC000357038015 409810810 /nfs/dbraw/zinc/81/08/10/409810810.db2.gz MXMJGVPQAQTVDH-WDEREUQCSA-N 1 0 307.354 1.027 20 5 DDBDRO CNc1ccc(C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000317099099 409861118 /nfs/dbraw/zinc/86/11/18/409861118.db2.gz BIAQNKFBILJHQE-ZYHUDNBSSA-N 1 0 306.366 1.849 20 5 DDBDRO Cc1n[nH]c(C(=O)N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000346244100 409870432 /nfs/dbraw/zinc/87/04/32/409870432.db2.gz UNHIFFSBEGBRHS-HOSYDEDBSA-N 1 0 321.381 1.429 20 5 DDBDRO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000342750479 409874254 /nfs/dbraw/zinc/87/42/54/409874254.db2.gz MEVKBQYNAZRZQV-FZMZJTMJSA-N 1 0 306.366 1.511 20 5 DDBDRO Cn1c(Sc2ncc([N+](=O)[O-])cn2)nnc1[C@@H]1CCC[NH2+]C1 ZINC000354610648 409967474 /nfs/dbraw/zinc/96/74/74/409967474.db2.gz WVRZNVLOOMVHFV-MRVPVSSYSA-N 1 0 321.366 1.132 20 5 DDBDRO C[C@@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@H](C)CN1C ZINC000354616825 409970946 /nfs/dbraw/zinc/97/09/46/409970946.db2.gz BCLHDPSIBCVIIU-GHMZBOCLSA-N 1 0 313.379 1.308 20 5 DDBDRO CC[NH+](CC)[C@@H]1CCN(c2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000357518074 410078932 /nfs/dbraw/zinc/07/89/32/410078932.db2.gz VJCLPMGBTQGWET-SNVBAGLBSA-N 1 0 307.354 1.009 20 5 DDBDRO CNc1c(C(=O)NCC[N@H+]2CC=CCC2)cccc1[N+](=O)[O-] ZINC000357621586 410142083 /nfs/dbraw/zinc/14/20/83/410142083.db2.gz ODNSHSTWDNOUIB-UHFFFAOYSA-N 1 0 304.350 1.628 20 5 DDBDRO C[C@@H]1CN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H](C)[NH+]1C ZINC000339617409 410331102 /nfs/dbraw/zinc/33/11/02/410331102.db2.gz NIWCFUDNCHPELC-MCIONIFRSA-N 1 0 323.393 1.359 20 5 DDBDRO O=[N+]([O-])c1cc(Cl)ccc1CN1[C@@H](CO)CC[C@H]1CO ZINC000347329319 410472509 /nfs/dbraw/zinc/47/25/09/410472509.db2.gz IFNAJRGXBPLJCE-TXEJJXNPSA-N 1 0 300.742 1.566 20 5 DDBDRO CC[N@H+](C[C@H](C)O)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000352187448 410534201 /nfs/dbraw/zinc/53/42/01/410534201.db2.gz RVSQBMIKZPBOPA-SMDDNHRTSA-N 1 0 307.350 1.403 20 5 DDBDRO C[C@@H](CNc1ncnc2cccc([N+](=O)[O-])c21)[N@H+](C)C1CC1 ZINC000347443771 410549037 /nfs/dbraw/zinc/54/90/37/410549037.db2.gz YVVHKDXWXNOGKY-JTQLQIEISA-N 1 0 301.350 2.433 20 5 DDBDRO CC[C@H](C)[NH2+][C@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)c1ccco1 ZINC000359554368 410726584 /nfs/dbraw/zinc/72/65/84/410726584.db2.gz IXPQKDSZFDGXOF-GXSJLCMTSA-N 1 0 321.337 1.770 20 5 DDBDRO CCC[N@H+](C)CC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000348207819 410855635 /nfs/dbraw/zinc/85/56/35/410855635.db2.gz YRRHLJUOXJEEMF-UHFFFAOYSA-N 1 0 307.350 1.526 20 5 DDBDRO COc1ccc(OCC[N@@H+]2CC[C@H](C)[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000330666680 410862677 /nfs/dbraw/zinc/86/26/77/410862677.db2.gz WOZGRMFGWORLDC-SMDDNHRTSA-N 1 0 310.350 1.685 20 5 DDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NCC1CC[NH+](C)CC1 ZINC000302838751 410873515 /nfs/dbraw/zinc/87/35/15/410873515.db2.gz YSEJXXZWRZSKCZ-UHFFFAOYSA-N 1 0 306.366 1.708 20 5 DDBDRO Cc1c(NC(=O)CCN2CC[N@@H+](C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000330679537 410873895 /nfs/dbraw/zinc/87/38/95/410873895.db2.gz XUKXPQRVZUZRBZ-LBPRGKRZSA-N 1 0 320.393 1.868 20 5 DDBDRO O=[N+]([O-])c1ccc2oc(C[N@H+]3C[C@@H]4CC[C@@H](O)[C@H]4C3)nc2c1 ZINC000344041294 410914689 /nfs/dbraw/zinc/91/46/89/410914689.db2.gz IEIFVKSIBZPONF-XHVZSJERSA-N 1 0 303.318 1.939 20 5 DDBDRO CCC[N@H+](C)CC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000331160268 410988084 /nfs/dbraw/zinc/98/80/84/410988084.db2.gz COZMKLZQXXVUNJ-UHFFFAOYSA-N 1 0 309.370 1.297 20 5 DDBDRO C[C@@H]1CN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])[C@H](C)C[NH2+]1 ZINC000356391914 411004222 /nfs/dbraw/zinc/00/42/22/411004222.db2.gz QLVJZVCGSGUPQH-VXGBXAGGSA-N 1 0 306.366 1.240 20 5 DDBDRO C[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])CC1(O)CCC1 ZINC000353484651 411024297 /nfs/dbraw/zinc/02/42/97/411024297.db2.gz KJAWONGSLRXSKF-LBPRGKRZSA-N 1 0 310.350 1.181 20 5 DDBDRO O=C1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)[C@H]2CCCCN12 ZINC000337852908 411034764 /nfs/dbraw/zinc/03/47/64/411034764.db2.gz JYMWQCNIJKHMTL-UONOGXRCSA-N 1 0 307.325 1.977 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@H]2CCC[C@@H]([C@H]3CCOC3)C2)c1 ZINC000341413779 411043277 /nfs/dbraw/zinc/04/32/77/411043277.db2.gz YNNLZBAQFWWXNS-HZSPNIEDSA-N 1 0 308.382 1.976 20 5 DDBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCc1cn[nH]c1 ZINC000353638264 411094391 /nfs/dbraw/zinc/09/43/91/411094391.db2.gz ATPYJPIACRQUGK-LLVKDONJSA-N 1 0 317.349 1.867 20 5 DDBDRO Cc1ccccc1CC[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000295605249 225037299 /nfs/dbraw/zinc/03/72/99/225037299.db2.gz CQTCVBIBTKZOES-MRXNPFEDSA-N 1 0 318.377 1.635 20 5 DDBDRO [NH3+]C[C@H](NC(=O)NCCc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000417226063 225252954 /nfs/dbraw/zinc/25/29/54/225252954.db2.gz KELKHIWVOXXRGL-HNNXBMFYSA-N 1 0 320.393 1.954 20 5 DDBDRO C[C@H]1[NH2+]CCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000417232137 225257620 /nfs/dbraw/zinc/25/76/20/225257620.db2.gz LZFFDIXVFZYAPM-NEPJUHHUSA-N 1 0 306.366 1.529 20 5 DDBDRO [NH3+]C[C@H]1CC[C@@H](NC(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000417774101 225435533 /nfs/dbraw/zinc/43/55/33/225435533.db2.gz YQKMRWIYJUEFEY-WCQYABFASA-N 1 0 306.366 1.564 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@H](C)[NH2+]C[C@H]1C ZINC000420413115 226487390 /nfs/dbraw/zinc/48/73/90/226487390.db2.gz ZRWRMNXJFBLBKN-NWDGAFQWSA-N 1 0 306.366 1.524 20 5 DDBDRO C[C@H]([NH2+][C@@H]1CCCN(CCCO)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000297172770 226801447 /nfs/dbraw/zinc/80/14/47/226801447.db2.gz DNRDIGLUKMMXKM-GXTWGEPZSA-N 1 0 322.409 1.674 20 5 DDBDRO O=C(CCN1CCC2(CC[NH2+]2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000422640895 227084546 /nfs/dbraw/zinc/08/45/46/227084546.db2.gz WIMKGROMBKLYJX-UHFFFAOYSA-N 1 0 318.377 1.751 20 5 DDBDRO CC1(O)C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000366652866 418500499 /nfs/dbraw/zinc/50/04/99/418500499.db2.gz GIWLDJGCCHOWKZ-OCZCAGDBSA-N 1 0 319.361 1.572 20 5 DDBDRO C[NH+](C)CC(C)(C)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000192700924 418526934 /nfs/dbraw/zinc/52/69/34/418526934.db2.gz IVWJSAAWGDTVJS-UHFFFAOYSA-N 1 0 315.395 1.461 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCN(CCO)[C@H](C)C1 ZINC000188823639 222029394 /nfs/dbraw/zinc/02/93/94/222029394.db2.gz XUBNRWRDDRFULA-GFCCVEGCSA-N 1 0 322.365 1.434 20 5 DDBDRO O=[N+]([O-])c1ccc2[nH]c(N3CCC([NH2+]CCO)CC3)nc2c1 ZINC000290937269 418579174 /nfs/dbraw/zinc/57/91/74/418579174.db2.gz KTHSHBSSOOEIJL-UHFFFAOYSA-N 1 0 305.338 1.022 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)NCCC2CC[NH+](CC)CC2)n1 ZINC000191826832 222109343 /nfs/dbraw/zinc/10/93/43/222109343.db2.gz BHFAQKPCJRYTMG-UHFFFAOYSA-N 1 0 323.397 1.663 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H]([NH+](CC)CC)C2)n1 ZINC000191830306 222110253 /nfs/dbraw/zinc/11/02/53/222110253.db2.gz MRSANEAYGGHJQR-LLVKDONJSA-N 1 0 309.370 1.368 20 5 DDBDRO CC(C)(O)C[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000189895774 222060892 /nfs/dbraw/zinc/06/08/92/222060892.db2.gz FFVMMNIORCYFQE-AWEZNQCLSA-N 1 0 324.377 1.570 20 5 DDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000361075666 418578284 /nfs/dbraw/zinc/57/82/84/418578284.db2.gz CQBZEACTWVTGIC-MNOVXSKESA-N 1 0 306.366 1.849 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CCN(CCOc3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000375028367 418589782 /nfs/dbraw/zinc/58/97/82/418589782.db2.gz CJZVNEMITLNGDK-CJNGLKHVSA-N 1 0 305.378 2.000 20 5 DDBDRO Cc1c(CN2CCC[N@@H+]([C@@H](C)CO)CC2)cccc1[N+](=O)[O-] ZINC000375487321 418646860 /nfs/dbraw/zinc/64/68/60/418646860.db2.gz VSKKFGUQCOZBAB-ZDUSSCGKSA-N 1 0 307.394 1.792 20 5 DDBDRO [NH3+][C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000375260768 418622001 /nfs/dbraw/zinc/62/20/01/418622001.db2.gz RLQMCIJDQKDRCM-XYYAHUGASA-N 1 0 318.377 1.878 20 5 DDBDRO Cc1ccc([C@@H](C)[NH2+]CCNc2cnccn2)cc1[N+](=O)[O-] ZINC000361981246 418734619 /nfs/dbraw/zinc/73/46/19/418734619.db2.gz NQCSUVQZHUPITC-GFCCVEGCSA-N 1 0 301.350 2.456 20 5 DDBDRO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000364924587 418822347 /nfs/dbraw/zinc/82/23/47/418822347.db2.gz AXJYWWQSPNTYKW-YUELXQCFSA-N 1 0 303.362 1.723 20 5 DDBDRO Cc1cc(C(=O)N2CCC[N@@H+]([C@H](C)CO)CC2)ccc1[N+](=O)[O-] ZINC000364937290 418824398 /nfs/dbraw/zinc/82/43/98/418824398.db2.gz QHHFNVAXVFZYLV-CYBMUJFWSA-N 1 0 321.377 1.432 20 5 DDBDRO COC1(C[N@@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)CCOCC1 ZINC000365426242 418859729 /nfs/dbraw/zinc/85/97/29/418859729.db2.gz UXVYBMISGHFPKG-ZDUSSCGKSA-N 1 0 324.381 1.624 20 5 DDBDRO C[NH+]1CCC2(CCCN2C(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000372724416 418895455 /nfs/dbraw/zinc/89/54/55/418895455.db2.gz DFVJLDTZHBJCLY-UHFFFAOYSA-N 1 0 318.377 1.877 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H](O)C[C@H]1C ZINC000411413827 418901679 /nfs/dbraw/zinc/90/16/79/418901679.db2.gz AONLDTWRLPHYJY-PWSUYJOCSA-N 1 0 323.349 1.387 20 5 DDBDRO Cc1cc(C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)ccc1[N+](=O)[O-] ZINC000372943698 418915032 /nfs/dbraw/zinc/91/50/32/418915032.db2.gz CFPNLPUTFBOTBO-KBPBESRZSA-N 1 0 319.361 1.496 20 5 DDBDRO Cc1ccc([C@H](C)NC(=O)NC[C@@H]2C[NH2+]CCO2)cc1[N+](=O)[O-] ZINC000417822247 419341952 /nfs/dbraw/zinc/34/19/52/419341952.db2.gz FJFLUCYWYMXEQC-AAEUAGOBSA-N 1 0 322.365 1.252 20 5 DDBDRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000417938196 419400482 /nfs/dbraw/zinc/40/04/82/419400482.db2.gz JBSPBVFPUQNQGN-ZFWWWQNUSA-N 1 0 320.393 1.954 20 5 DDBDRO C[C@@H](C[NH3+])NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000417999340 419463793 /nfs/dbraw/zinc/46/37/93/419463793.db2.gz WFCNNSDEXXYQRM-QMMMGPOBSA-N 1 0 300.746 1.437 20 5 DDBDRO COC(=O)[C@H]1CSCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000412076228 419627862 /nfs/dbraw/zinc/62/78/62/419627862.db2.gz IQXHISOIYHYLKA-GFCCVEGCSA-N 1 0 310.375 1.933 20 5 DDBDRO CC(C)(NC(=O)NC1CC[NH2+]CC1)c1ccccc1[N+](=O)[O-] ZINC000418313149 419699902 /nfs/dbraw/zinc/69/99/02/419699902.db2.gz VDHPLBRNZYZTRS-UHFFFAOYSA-N 1 0 306.366 1.881 20 5 DDBDRO C[NH2+]C[C@H](C)CNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000418365274 419745266 /nfs/dbraw/zinc/74/52/66/419745266.db2.gz HUTHGCDQYFNOOF-NSHDSACASA-N 1 0 308.382 1.985 20 5 DDBDRO C[NH2+]C[C@@H](C)CNC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000418389143 419767283 /nfs/dbraw/zinc/76/72/83/419767283.db2.gz OAHNZMQOGPBOCH-GFCCVEGCSA-N 1 0 308.382 1.634 20 5 DDBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H]([NH3+])C1CC1 ZINC000414884727 419858595 /nfs/dbraw/zinc/85/85/95/419858595.db2.gz FZHOVYGFGKOITK-HZMBPMFUSA-N 1 0 306.366 1.639 20 5 DDBDRO C[C@@H]1COCC[C@H]1[NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000432235689 229089110 /nfs/dbraw/zinc/08/91/10/229089110.db2.gz LIQYHSSRJQIUKT-DFBGVHRSSA-N 1 0 319.361 1.715 20 5 DDBDRO C[C@H](C[NH3+])N(C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000435388566 229380624 /nfs/dbraw/zinc/38/06/24/229380624.db2.gz GNNLZHZSUNFQJH-LLVKDONJSA-N 1 0 303.366 1.774 20 5 DDBDRO C[NH+](C)C[C@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000435220164 229361040 /nfs/dbraw/zinc/36/10/40/229361040.db2.gz LTAVWVVCAQPMMN-SECBINFHSA-N 1 0 319.408 1.371 20 5 DDBDRO CN1CC[NH2+]C[C@H]1CN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000423517858 420069565 /nfs/dbraw/zinc/06/95/65/420069565.db2.gz OJFZKFMBVPZIDI-GOEBONIOSA-N 1 0 304.394 1.465 20 5 DDBDRO CCC[NH2+]CCNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000423453621 420054559 /nfs/dbraw/zinc/05/45/59/420054559.db2.gz AZWLGTWKOISQKB-UHFFFAOYSA-N 1 0 302.334 1.872 20 5 DDBDRO [NH3+][C@@H](CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)C1CC1 ZINC000423484059 420058819 /nfs/dbraw/zinc/05/88/19/420058819.db2.gz SYZBRRBQANQSKN-LBPRGKRZSA-N 1 0 300.318 1.610 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000415506735 420093446 /nfs/dbraw/zinc/09/34/46/420093446.db2.gz RVGIHZQLLFCMJQ-UWVGGRQHSA-N 1 0 308.338 1.852 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000415504195 420093904 /nfs/dbraw/zinc/09/39/04/420093904.db2.gz PCHCGHMPTIQXFU-UWVGGRQHSA-N 1 0 308.338 1.995 20 5 DDBDRO CCC([NH3+])(CC)CNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000415503762 420094136 /nfs/dbraw/zinc/09/41/36/420094136.db2.gz YECVTSSSGQDRFW-UHFFFAOYSA-N 1 0 322.365 1.475 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000415509581 420094947 /nfs/dbraw/zinc/09/49/47/420094947.db2.gz WVULDBJRHXFOCN-JTQLQIEISA-N 1 0 308.338 1.725 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCCN1CC[NH2+]CC1 ZINC000415577564 420115794 /nfs/dbraw/zinc/11/57/94/420115794.db2.gz HIMQBMYZHLPFHJ-UHFFFAOYSA-N 1 0 321.381 1.238 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000415590142 420119816 /nfs/dbraw/zinc/11/98/16/420119816.db2.gz ZUXMYRUKCXYMMB-LBPRGKRZSA-N 1 0 321.381 1.237 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000415659861 420139267 /nfs/dbraw/zinc/13/92/67/420139267.db2.gz WIBVXUFFMODQPM-MNOVXSKESA-N 1 0 320.349 1.228 20 5 DDBDRO CO[C@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)[C@@H](C[NH3+])C1 ZINC000415448116 420071389 /nfs/dbraw/zinc/07/13/89/420071389.db2.gz XLMRGZJIOPNYGB-OLZOCXBDSA-N 1 0 322.365 1.873 20 5 DDBDRO CC(C)[C@@](C)(C[NH3+])NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000430585336 420148141 /nfs/dbraw/zinc/14/81/41/420148141.db2.gz RUJIDEFUYCBJAY-OAHLLOKOSA-N 1 0 308.382 1.521 20 5 DDBDRO COC(=O)c1cc(C)nc(NCC[C@H]2CCC[NH2+]2)c1[N+](=O)[O-] ZINC000420237832 420161542 /nfs/dbraw/zinc/16/15/42/420161542.db2.gz MFJMTQYMJGVKGR-SNVBAGLBSA-N 1 0 308.338 1.639 20 5 DDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1C[NH2+]CCO1 ZINC000415770375 420170919 /nfs/dbraw/zinc/17/09/19/420170919.db2.gz YSLKCAUKAOSYHN-GFCCVEGCSA-N 1 0 308.338 1.267 20 5 DDBDRO Cc1c(NC(=O)[C@H](C)N2CCC[C@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000430658382 420172714 /nfs/dbraw/zinc/17/27/14/420172714.db2.gz XJMIWXHQHDOBRS-QWHCGFSZSA-N 1 0 320.393 1.901 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H]1CC[NH2+]CC1(C)C ZINC000420376262 420245781 /nfs/dbraw/zinc/24/57/81/420245781.db2.gz UXDCQVJMDJIPIQ-CQSZACIVSA-N 1 0 320.393 1.819 20 5 DDBDRO [NH3+]CCC[C@H](NC(=O)c1cc([N+](=O)[O-])n[nH]1)c1ccccc1 ZINC000423978949 420289682 /nfs/dbraw/zinc/28/96/82/420289682.db2.gz XKDXFVUFYBVWAL-NSHDSACASA-N 1 0 303.322 1.528 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000420388139 420255484 /nfs/dbraw/zinc/25/54/84/420255484.db2.gz WVDLBGYPTPKVRN-AAEUAGOBSA-N 1 0 320.393 1.758 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000420401309 420263250 /nfs/dbraw/zinc/26/32/50/420263250.db2.gz PGCFHRQCYYQHFB-NEPJUHHUSA-N 1 0 306.366 1.524 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)[C@@H]1CCC[NH2+]CC1 ZINC000435621901 420268753 /nfs/dbraw/zinc/26/87/53/420268753.db2.gz OUTFQXGUJBPBNE-CYBMUJFWSA-N 1 0 320.393 1.916 20 5 DDBDRO CN(C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)[C@H](C[NH3+])C1CC1 ZINC000423957383 420282280 /nfs/dbraw/zinc/28/22/80/420282280.db2.gz VFOFFJSBMQIVRN-OAHLLOKOSA-N 1 0 318.377 1.978 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC([C@H](C)[NH3+])CC1 ZINC000430944808 420217647 /nfs/dbraw/zinc/21/76/47/420217647.db2.gz OBEBBAGNJMAEPX-LBPRGKRZSA-N 1 0 320.393 1.901 20 5 DDBDRO CCC[NH+]1CCC(Nc2c(C(N)=O)cccc2[N+](=O)[O-])CC1 ZINC000420580315 420321813 /nfs/dbraw/zinc/32/18/13/420321813.db2.gz GMZURWOLZVGATA-UHFFFAOYSA-N 1 0 306.366 1.980 20 5 DDBDRO CCC[N@@H+]1CC[C@H](CNc2c(C(N)=O)cccc2[N+](=O)[O-])C1 ZINC000420581446 420322397 /nfs/dbraw/zinc/32/23/97/420322397.db2.gz GYJFMDNIKZYOLF-LLVKDONJSA-N 1 0 306.366 1.838 20 5 DDBDRO COc1cc(S(=O)(=O)N[C@H](C)CCC[NH3+])ccc1[N+](=O)[O-] ZINC000420447731 420294092 /nfs/dbraw/zinc/29/40/92/420294092.db2.gz VKGHNSCUMKDNAF-SECBINFHSA-N 1 0 317.367 1.009 20 5 DDBDRO Cc1n[nH]c(C(=O)N2CC[NH2+]C[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000423992467 420296739 /nfs/dbraw/zinc/29/67/39/420296739.db2.gz GFTFMJOCCDTLAD-GFCCVEGCSA-N 1 0 315.333 1.413 20 5 DDBDRO Cc1ccc(NCCCNC(=O)N[C@@H](C)[C@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000417715354 420458849 /nfs/dbraw/zinc/45/88/49/420458849.db2.gz JYSWCQMVDYEMQI-RYUDHWBXSA-N 1 0 323.397 1.740 20 5 DDBDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000457093340 420610046 /nfs/dbraw/zinc/61/00/46/420610046.db2.gz NYPGJWSLKWAJLB-NSHDSACASA-N 1 0 308.338 1.250 20 5 DDBDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000457103536 420615676 /nfs/dbraw/zinc/61/56/76/420615676.db2.gz BCCOXQFXPYEDAL-CQSZACIVSA-N 1 0 321.377 1.915 20 5 DDBDRO C[NH+](C)CC(C)(C)NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000458442582 420659551 /nfs/dbraw/zinc/65/95/51/420659551.db2.gz AVKDHDRBIIYWEX-UHFFFAOYSA-N 1 0 308.382 1.777 20 5 DDBDRO [NH3+]C[C@H]1CCCN(C(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000493063888 420747132 /nfs/dbraw/zinc/74/71/32/420747132.db2.gz NHAAWVBUYOFMIK-DUMNWFOQSA-N 1 0 307.325 1.944 20 5 DDBDRO C[NH+](C)C1(CNc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CCC1 ZINC000445601123 420761784 /nfs/dbraw/zinc/76/17/84/420761784.db2.gz PZOLHAKJGXOFIF-UHFFFAOYSA-N 1 0 317.349 2.541 20 5 DDBDRO C[C@@H]1C[C@@H](C[NH3+])CN1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000442767202 420711495 /nfs/dbraw/zinc/71/14/95/420711495.db2.gz QFOQTKFETMIELU-NEPJUHHUSA-N 1 0 318.377 1.153 20 5 DDBDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000447994165 420831303 /nfs/dbraw/zinc/83/13/03/420831303.db2.gz TTWINYWTFATHKT-CYBMUJFWSA-N 1 0 321.381 1.654 20 5 DDBDRO O=C(/C=C\c1ccccc1[N+](=O)[O-])N[C@H]1C[NH2+]CCC1(F)F ZINC000493447393 420852903 /nfs/dbraw/zinc/85/29/03/420852903.db2.gz GJUJRMDRXBGXKC-FJOGCWAESA-N 1 0 311.288 1.721 20 5 DDBDRO Cn1nccc1[C@@H](CO)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000459749130 420863666 /nfs/dbraw/zinc/86/36/66/420863666.db2.gz JMFWYKCMFSBXEL-CYBMUJFWSA-N 1 0 306.322 1.030 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)n1 ZINC000459785948 420871599 /nfs/dbraw/zinc/87/15/99/420871599.db2.gz CPHHRPHAIRWGQY-UONOGXRCSA-N 1 0 308.382 1.664 20 5 DDBDRO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)[NH+](C)C ZINC000448677394 420880921 /nfs/dbraw/zinc/88/09/21/420880921.db2.gz MGSHJWQMSHXMGG-LLVKDONJSA-N 1 0 317.349 1.460 20 5 DDBDRO COCCN1CC[C@H]([NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000449153225 420961541 /nfs/dbraw/zinc/96/15/41/420961541.db2.gz JAPCSHRSDIPTFP-HIFRSBDPSA-N 1 0 307.394 1.836 20 5 DDBDRO COc1cc(OCC(=O)N[C@@H]2CC[NH2+]C2(C)C)ccc1[N+](=O)[O-] ZINC000449749141 421074887 /nfs/dbraw/zinc/07/48/87/421074887.db2.gz DYKAYJHHJRYVFW-CYBMUJFWSA-N 1 0 323.349 1.239 20 5 DDBDRO CC(C)C[C@H](Nc1ccc([N+](=O)[O-])nc1)C(=O)NCC[NH+](C)C ZINC000450414751 421194979 /nfs/dbraw/zinc/19/49/79/421194979.db2.gz ZQAUTLAUOYLMON-ZDUSSCGKSA-N 1 0 323.397 1.494 20 5 DDBDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000561083112 421305151 /nfs/dbraw/zinc/30/51/51/421305151.db2.gz NFRBHOGIKMBLPC-LLVKDONJSA-N 1 0 321.381 1.566 20 5 DDBDRO C[C@]1(CO)CCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000546810968 421310802 /nfs/dbraw/zinc/31/08/02/421310802.db2.gz DRBANJHDLSYPCQ-SWLSCSKDSA-N 1 0 310.350 1.181 20 5 DDBDRO COC[C@H](C)C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000526115923 421332693 /nfs/dbraw/zinc/33/26/93/421332693.db2.gz IYZUTEYEIKOAOE-LLVKDONJSA-N 1 0 316.379 1.241 20 5 DDBDRO C[NH2+]CCCN(C)S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC000514734517 421450875 /nfs/dbraw/zinc/45/08/75/421450875.db2.gz FNIWVPKVNIRLOV-UHFFFAOYSA-N 1 0 315.395 1.442 20 5 DDBDRO CNc1nccc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000563547531 421520634 /nfs/dbraw/zinc/52/06/34/421520634.db2.gz VNYFWYKXLQCKLU-WDEREUQCSA-N 1 0 321.381 1.586 20 5 DDBDRO O=C(c1c[nH]nc1[N+](=O)[O-])N1CC[NH+](CC2CCCCC2)CC1 ZINC000549156633 421496373 /nfs/dbraw/zinc/49/63/73/421496373.db2.gz JFFLOFJVKSKSDG-UHFFFAOYSA-N 1 0 321.381 1.656 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000515414229 421500950 /nfs/dbraw/zinc/50/09/50/421500950.db2.gz HAOIBYARHIWEQG-GFCCVEGCSA-N 1 0 309.370 1.138 20 5 DDBDRO CNc1nccc(C(=O)N[C@@H]2CCC[N@@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000566923421 421609842 /nfs/dbraw/zinc/60/98/42/421609842.db2.gz IAPSDPPAUXJFHE-LLVKDONJSA-N 1 0 321.381 1.634 20 5 DDBDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])cn2C)C[C@@H](C)C1 ZINC000554128840 421632574 /nfs/dbraw/zinc/63/25/74/421632574.db2.gz SWZXXCGQGZBWGH-OUCADQQQSA-N 1 0 320.393 1.736 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N(C2CC2)[C@H]2CC[NH2+]C2)c1 ZINC000570273803 421633772 /nfs/dbraw/zinc/63/37/72/421633772.db2.gz QQYGUVQDXNNWIU-LBPRGKRZSA-N 1 0 319.361 1.960 20 5 DDBDRO CC(=O)NCC[N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000570716104 421664562 /nfs/dbraw/zinc/66/45/62/421664562.db2.gz ZKCLJXNAXJXZDE-UHFFFAOYSA-N 1 0 322.365 1.300 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C[C@@H]1CCCOC1 ZINC000519564618 421700501 /nfs/dbraw/zinc/70/05/01/421700501.db2.gz ZQPCMMFFIXAYOB-STQMWFEESA-N 1 0 310.350 1.351 20 5 DDBDRO CC1(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000519697909 421717235 /nfs/dbraw/zinc/71/72/35/421717235.db2.gz JXLJZVUFPDGLMZ-CQSZACIVSA-N 1 0 324.377 1.741 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H](C)S(C)(=O)=O ZINC000540141243 421760919 /nfs/dbraw/zinc/76/09/19/421760919.db2.gz GUBRMGHAGBJIOU-MNOVXSKESA-N 1 0 300.380 1.987 20 5 DDBDRO C[C@H](CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)[NH+]1CCCC1 ZINC000541846803 421807726 /nfs/dbraw/zinc/80/77/26/421807726.db2.gz WEZQPMYXRKVROH-SNVBAGLBSA-N 1 0 321.333 1.538 20 5 DDBDRO CC(C)[N@@H+]1CC[C@@H](CNc2cccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000557556164 421778114 /nfs/dbraw/zinc/77/81/14/421778114.db2.gz VBGTZWDTCATVDI-NSHDSACASA-N 1 0 306.366 1.836 20 5 DDBDRO NC(=O)[C@H](Cc1ccc(F)cc1)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000544095370 421842971 /nfs/dbraw/zinc/84/29/71/421842971.db2.gz RBLSKHXUJBOOTG-HNNXBMFYSA-N 1 0 317.320 1.920 20 5 DDBDRO C[C@H](CCNC(=O)c1cc([N+](=O)[O-])cn1C)[NH+]1CCCCC1 ZINC000544337516 421844324 /nfs/dbraw/zinc/84/43/24/421844324.db2.gz VOCOTXDMEUBSKI-GFCCVEGCSA-N 1 0 308.382 1.928 20 5 DDBDRO O=C(CC[NH2+]C1CC1)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000573266022 421942050 /nfs/dbraw/zinc/94/20/50/421942050.db2.gz PWUHYKOIHGMQOX-UHFFFAOYSA-N 1 0 315.333 2.066 20 5 DDBDRO COCC[C@H]1C[NH2+]CCN1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC001120582638 782037398 /nfs/dbraw/zinc/03/73/98/782037398.db2.gz JFTMOLXMBKJNIE-AWEZNQCLSA-N 1 0 322.365 1.115 20 5 DDBDRO [NH3+][C@H](CCC(=O)NCCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000574630637 422146978 /nfs/dbraw/zinc/14/69/78/422146978.db2.gz KVIIYPCHBWMHRH-CQSZACIVSA-N 1 0 317.349 1.388 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(c3cc4nc[nH]c(=O)c4cc3[N+](=O)[O-])C[C@@H]21 ZINC000574999801 422234461 /nfs/dbraw/zinc/23/44/61/422234461.db2.gz SDAGXBYHKDJLDT-OTYXRUKQSA-N 1 0 315.333 1.384 20 5 DDBDRO CC(C)[NH+](CCCNC(=O)c1ccnc(N)c1[N+](=O)[O-])C(C)C ZINC000577121971 422380765 /nfs/dbraw/zinc/38/07/65/422380765.db2.gz KZYSRCSZFASNDV-UHFFFAOYSA-N 1 0 323.397 1.811 20 5 DDBDRO CC1(C)CC[NH2+][C@H]1C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000595951411 422359647 /nfs/dbraw/zinc/35/96/47/422359647.db2.gz KQTZECTULDEJSF-NSHDSACASA-N 1 0 303.322 1.798 20 5 DDBDRO C[C@@H]1COCC[C@@H]1C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000576031466 422361607 /nfs/dbraw/zinc/36/16/07/422361607.db2.gz XHLMXBKTLHTLIA-UMVBOHGHSA-N 1 0 324.377 1.597 20 5 DDBDRO C[C@H](CCNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1)[NH+](C)C ZINC000596433278 422376555 /nfs/dbraw/zinc/37/65/55/422376555.db2.gz TVBSRKSNCZSZGI-SECBINFHSA-N 1 0 305.338 1.996 20 5 DDBDRO CC(C)(CC[NH3+])NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000578521955 422590684 /nfs/dbraw/zinc/59/06/84/422590684.db2.gz UKOYKBLZJYJAFW-UHFFFAOYSA-N 1 0 309.322 1.223 20 5 DDBDRO C[N@@H+]1CC[C@@H](C(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000578587013 422602398 /nfs/dbraw/zinc/60/23/98/422602398.db2.gz QWSQTLNOEYRZNS-LLVKDONJSA-N 1 0 305.334 1.268 20 5 DDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000578731547 422634442 /nfs/dbraw/zinc/63/44/42/422634442.db2.gz FYVFBJKIHUVOLX-ZDUSSCGKSA-N 1 0 307.398 1.946 20 5 DDBDRO COc1cccc(C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])c1[N+](=O)[O-] ZINC000579226778 422728698 /nfs/dbraw/zinc/72/86/98/422728698.db2.gz OKSOIWMWMMPGED-PWSUYJOCSA-N 1 0 307.350 1.851 20 5 DDBDRO CO[C@H](C)[C@@H](C)[NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000341474288 271086038 /nfs/dbraw/zinc/08/60/38/271086038.db2.gz DUVLAODOPVRKNJ-JTNHKYCSSA-N 1 0 307.350 1.713 20 5 DDBDRO CC[N@@H+]1CC[C@H](N(C)CCn2cc([N+](=O)[O-])ccc2=O)C[C@@H]1C ZINC000341577686 271126309 /nfs/dbraw/zinc/12/63/09/271126309.db2.gz RYVFUWJXDHBKGM-KBPBESRZSA-N 1 0 322.409 1.561 20 5 DDBDRO CC(=O)[C@H](NC(=O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000341594849 271132842 /nfs/dbraw/zinc/13/28/42/271132842.db2.gz SRKGMJWXIOUBIG-BDJLRTHQSA-N 1 0 321.377 1.975 20 5 DDBDRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000345938382 272370024 /nfs/dbraw/zinc/37/00/24/272370024.db2.gz WMMSORNREDMMFW-BETUJISGSA-N 1 0 320.393 1.996 20 5 DDBDRO C[NH+](C)CCOCCNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000346023604 272391652 /nfs/dbraw/zinc/39/16/52/272391652.db2.gz YVBXJUBOAHTAHE-UHFFFAOYSA-N 1 0 321.333 1.649 20 5 DDBDRO C[C@@H]1CN(c2nccc3c2cccc3[N+](=O)[O-])CC[N@@H+]1CCO ZINC000450452365 274369955 /nfs/dbraw/zinc/36/99/55/274369955.db2.gz MIZOZAXEHKOIAU-GFCCVEGCSA-N 1 0 316.361 1.646 20 5 DDBDRO CC(=O)NCCC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447536300 275480431 /nfs/dbraw/zinc/48/04/31/275480431.db2.gz MHIGBQBOPYFTMG-OLZOCXBDSA-N 1 0 309.370 1.391 20 5 DDBDRO CC[NH+]1CCN([C@@H]2CCN(c3nc(C)ccc3[N+](=O)[O-])C2)CC1 ZINC000178217013 276386773 /nfs/dbraw/zinc/38/67/73/276386773.db2.gz GDZHXOQZQJUXPW-CQSZACIVSA-N 1 0 319.409 1.514 20 5 DDBDRO CN(C)c1cc(F)c(C(=O)NC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000279138328 276799352 /nfs/dbraw/zinc/79/93/52/276799352.db2.gz FTYLTOKMJMTITJ-UHFFFAOYSA-N 1 0 324.356 1.624 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000430553500 281261224 /nfs/dbraw/zinc/26/12/24/281261224.db2.gz TWIYHPMRLNQDJJ-OLZOCXBDSA-N 1 0 320.393 1.901 20 5 DDBDRO C[NH+]1CCC(CNC(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 ZINC000130211046 281371211 /nfs/dbraw/zinc/37/12/11/281371211.db2.gz IROZYPHNVKHNCI-UHFFFAOYSA-N 1 0 320.393 1.778 20 5 DDBDRO C[C@@H]1Cc2ccccc2C[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000247347530 282047676 /nfs/dbraw/zinc/04/76/76/282047676.db2.gz GLQMLHMIUYTUQV-MLGOLLRUSA-N 1 0 316.361 1.599 20 5 DDBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@H](CO)C3CCOCC3)nc2c1 ZINC000361608973 299904891 /nfs/dbraw/zinc/90/48/91/299904891.db2.gz ICCVDXZUMJBARY-CQSZACIVSA-N 1 0 320.349 1.348 20 5 DDBDRO CC[C@@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H](O)CC ZINC000572722073 304550935 /nfs/dbraw/zinc/55/09/35/304550935.db2.gz PEBRTPSRRZOKBQ-YUELXQCFSA-N 1 0 312.366 1.474 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357084929 298958753 /nfs/dbraw/zinc/95/87/53/298958753.db2.gz KHGQJBHBCNYBAH-STQMWFEESA-N 1 0 318.377 1.383 20 5 DDBDRO CN(c1ncccc1[N+](=O)[O-])[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000363063830 300205377 /nfs/dbraw/zinc/20/53/77/300205377.db2.gz MGCJALGHSIOWME-AWEZNQCLSA-N 1 0 319.409 1.595 20 5 DDBDRO COc1ccc(NC(=O)CC[N@@H+]2CCCOCC2)c([N+](=O)[O-])c1 ZINC000363379681 300259864 /nfs/dbraw/zinc/25/98/64/300259864.db2.gz VHWKUBSIHYSSNX-UHFFFAOYSA-N 1 0 323.349 1.654 20 5 DDBDRO CC(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000364350382 300382245 /nfs/dbraw/zinc/38/22/45/300382245.db2.gz XTEZEFSDJIXDSR-CABCVRRESA-N 1 0 321.381 1.267 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@H](OCC3CC3)C2)c1 ZINC000364451244 300398860 /nfs/dbraw/zinc/39/88/60/300398860.db2.gz XOMNTTZCINUWGM-CABCVRRESA-N 1 0 324.381 1.043 20 5 DDBDRO CCN(C)C(=O)CC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365506499 300525209 /nfs/dbraw/zinc/52/52/09/300525209.db2.gz GDKPHSGFXHODHY-UHFFFAOYSA-N 1 0 309.370 1.297 20 5 DDBDRO Cc1cc(C)c(S(=O)(=O)N[C@@H](C)CCC[NH3+])cc1[N+](=O)[O-] ZINC000420435460 301198147 /nfs/dbraw/zinc/19/81/47/301198147.db2.gz GXBLANQIZSQDFD-NSHDSACASA-N 1 0 315.395 1.617 20 5 DDBDRO Cc1cc(C2=CCN([C@@H](C)C(N)=O)CC2)cc([N+](=O)[O-])c1N ZINC000369906049 301237512 /nfs/dbraw/zinc/23/75/12/301237512.db2.gz KTKJTXYZGRQJPL-JTQLQIEISA-N 1 0 304.350 1.448 20 5 DDBDRO Nc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000371869265 301507425 /nfs/dbraw/zinc/50/74/25/301507425.db2.gz FVSUALXLVNJQPD-LLVKDONJSA-N 1 0 319.365 1.272 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000262808405 302048615 /nfs/dbraw/zinc/04/86/15/302048615.db2.gz XNIHRYPAAWKSAO-GHMZBOCLSA-N 1 0 313.379 1.180 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000193403647 302049453 /nfs/dbraw/zinc/04/94/53/302049453.db2.gz DXANEFXUYJDBAD-MWLCHTKSSA-N 1 0 313.379 1.180 20 5 DDBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000376398158 302072393 /nfs/dbraw/zinc/07/23/93/302072393.db2.gz UTPYUGMPSWTDEK-QWRGUYRKSA-N 1 0 307.354 1.027 20 5 DDBDRO CN(C(=O)C[N@@H+]1CC[C@@](O)(C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000377260446 302160662 /nfs/dbraw/zinc/16/06/62/302160662.db2.gz DUQRMUCZLJJDHM-INIZCTEOSA-N 1 0 319.361 1.404 20 5 DDBDRO Cn1ccc(N2CC[C@@H]([NH2+]Cc3ccccc3[N+](=O)[O-])C2)n1 ZINC000378480253 302332398 /nfs/dbraw/zinc/33/23/98/302332398.db2.gz ZJSXSLWYZLLGCY-CYBMUJFWSA-N 1 0 301.350 1.697 20 5 DDBDRO CC[NH+]1CCC(CNC(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000515191539 302768209 /nfs/dbraw/zinc/76/82/09/302768209.db2.gz GEODCXHNYPSOCN-UHFFFAOYSA-N 1 0 305.378 1.985 20 5 DDBDRO Cn1ccnc1[C@@H]1C[NH2+]CCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000261812875 302998533 /nfs/dbraw/zinc/99/85/33/302998533.db2.gz SUXNYYMTFKOQKK-HNNXBMFYSA-N 1 0 315.377 1.517 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCCC12CC[NH+](C)CC2 ZINC000408072039 303052841 /nfs/dbraw/zinc/05/28/41/303052841.db2.gz QHWPRJADIHCYHX-UHFFFAOYSA-N 1 0 307.354 1.029 20 5 DDBDRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531882869 303263304 /nfs/dbraw/zinc/26/33/04/303263304.db2.gz TYSJVOLNDDNDGX-ZDUSSCGKSA-N 1 0 322.365 1.173 20 5 DDBDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000547755799 303551872 /nfs/dbraw/zinc/55/18/72/303551872.db2.gz AFWFOVWHCOSHSN-MXWKQRLJSA-N 1 0 309.370 1.414 20 5 DDBDRO C[N@@H+]1CC[C@H](CNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000362582531 307020922 /nfs/dbraw/zinc/02/09/22/307020922.db2.gz ZMLNMHIDHROUOH-SECBINFHSA-N 1 0 313.304 1.483 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@H]2c3ccccc3CC[C@H]2CO)c1 ZINC000364584067 307048820 /nfs/dbraw/zinc/04/88/20/307048820.db2.gz PDMIDWNIPQNKLQ-XJKSGUPXSA-N 1 0 316.361 1.677 20 5 DDBDRO O=C(c1ccc([N+](=O)[O-])cn1)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000364978736 307055939 /nfs/dbraw/zinc/05/59/39/307055939.db2.gz IVFQZDURTNVURQ-AAEUAGOBSA-N 1 0 304.350 1.594 20 5 DDBDRO CC(C)OC(=O)CC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365121064 307059449 /nfs/dbraw/zinc/05/94/49/307059449.db2.gz IOMDPODIZSOWCR-UHFFFAOYSA-N 1 0 310.354 1.770 20 5 DDBDRO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc([N+](=O)[O-])o1 ZINC000366473778 307074607 /nfs/dbraw/zinc/07/46/07/307074607.db2.gz LEOOZNGLQGJYJD-LLVKDONJSA-N 1 0 309.322 1.171 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@H](c2ccco2)C1 ZINC000367142449 307087030 /nfs/dbraw/zinc/08/70/30/307087030.db2.gz WRUWXULKRUQLLF-LBPRGKRZSA-N 1 0 303.318 1.839 20 5 DDBDRO Cc1c(NC(=O)CC[N@@H+]2C[C@@H](O)C3(CC3)C2)cccc1[N+](=O)[O-] ZINC000372358655 307168505 /nfs/dbraw/zinc/16/85/05/307168505.db2.gz NUEHCSSKQJCHBP-CQSZACIVSA-N 1 0 319.361 1.689 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH+]1CC([C@H]2CCOC2)C1 ZINC000373633733 307193310 /nfs/dbraw/zinc/19/33/10/307193310.db2.gz BWLFPKJQOWIUND-JSGCOSHPSA-N 1 0 322.361 1.303 20 5 DDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000375270749 307219964 /nfs/dbraw/zinc/21/99/64/307219964.db2.gz VSNQKELPBSFYLM-RBSFLKMASA-N 1 0 318.377 1.218 20 5 DDBDRO O=C1NC[C@H]2C[N@H+](CCOc3ccccc3[N+](=O)[O-])CC[C@@H]12 ZINC000377683739 307275852 /nfs/dbraw/zinc/27/58/52/307275852.db2.gz UZVIEAWEUMLMOZ-NWDGAFQWSA-N 1 0 305.334 1.042 20 5 DDBDRO C[C@H](CCCO)C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000563138937 307957726 /nfs/dbraw/zinc/95/77/26/307957726.db2.gz WNMAHOZXYMBXKA-GFCCVEGCSA-N 1 0 309.366 1.922 20 5 DDBDRO C[C@H](Cn1ccnc1)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000568621005 308124655 /nfs/dbraw/zinc/12/46/55/308124655.db2.gz KIQRXOYMCMWAJH-CHWSQXEVSA-N 1 0 320.349 1.209 20 5 DDBDRO O=C(c1c[nH]nc1[N+](=O)[O-])N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000571263522 308192876 /nfs/dbraw/zinc/19/28/76/308192876.db2.gz FLZDGTPQOAMEIC-GWCFXTLKSA-N 1 0 319.365 1.407 20 5 DDBDRO C/C=C/C[C@@H](CO)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000574323662 308268291 /nfs/dbraw/zinc/26/82/91/308268291.db2.gz FFXIRWKZYGTEJI-JDGPPOGSSA-N 1 0 307.350 1.840 20 5 DDBDRO CC[C@@H]1C[N@H+](C)CCN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000575384152 308275951 /nfs/dbraw/zinc/27/59/51/308275951.db2.gz GMFYCFXZOOUOFS-CYBMUJFWSA-N 1 0 320.393 1.949 20 5 DDBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000575920783 308282130 /nfs/dbraw/zinc/28/21/30/308282130.db2.gz OTKUAIMYSUWOGH-NWDGAFQWSA-N 1 0 308.382 1.905 20 5 DDBDRO CCc1ccc(S(=O)(=O)N2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000576942862 308351160 /nfs/dbraw/zinc/35/11/60/308351160.db2.gz MSXOPVMCAZPRNT-LLVKDONJSA-N 1 0 313.379 1.269 20 5 DDBDRO O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000579116628 308508746 /nfs/dbraw/zinc/50/87/46/308508746.db2.gz APTVHLGXRTVDLT-LLVKDONJSA-N 1 0 320.349 1.157 20 5 DDBDRO Cn1cncc1CC[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000580291886 308593024 /nfs/dbraw/zinc/59/30/24/308593024.db2.gz NOERRVNAMBJBAX-UHFFFAOYSA-N 1 0 316.365 1.088 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H](C)[C@@H](C)[NH3+])cc1C ZINC000381427550 325741752 /nfs/dbraw/zinc/74/17/52/325741752.db2.gz BWOJGLJRNQZPSZ-NXEZZACHSA-N 1 0 301.368 1.226 20 5 DDBDRO CSC[C@H](C)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000583626423 336002552 /nfs/dbraw/zinc/00/25/52/336002552.db2.gz RCHKUGIYGCRNMP-WDEREUQCSA-N 1 0 300.380 1.676 20 5 DDBDRO NC(=O)N1CCC([NH2+]CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000393343863 337094472 /nfs/dbraw/zinc/09/44/72/337094472.db2.gz CPDGWHQDMHAGPZ-UHFFFAOYSA-N 1 0 308.338 1.106 20 5 DDBDRO O=C([C@H]1CCCCC[NH2+]1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000582786873 337164165 /nfs/dbraw/zinc/16/41/65/337164165.db2.gz QCSKOFDFENEIOM-CQSZACIVSA-N 1 0 304.350 1.407 20 5 DDBDRO [NH3+]C[C@H]1CCCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000583145246 337245751 /nfs/dbraw/zinc/24/57/51/337245751.db2.gz DYLGZBFCLWNSHB-IUODEOHRSA-N 1 0 318.377 1.371 20 5 DDBDRO CSC[C@H](C)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000583867008 337360953 /nfs/dbraw/zinc/36/09/53/337360953.db2.gz PCTUNPILACGAPF-CMPLNLGQSA-N 1 0 300.380 1.676 20 5 DDBDRO COC(=O)[C@]12C[N@H+](Cc3ccccc3[N+](=O)[O-])C[C@H]1COCC2 ZINC000375681024 483952188 /nfs/dbraw/zinc/95/21/88/483952188.db2.gz XCGDDSMIFWPQFI-XJKSGUPXSA-N 1 0 320.345 1.606 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@]2(C)CC[NH2+]C2)cc1C ZINC000230734947 484169177 /nfs/dbraw/zinc/16/91/77/484169177.db2.gz WRWKFFOGGJFIKN-ZDUSSCGKSA-N 1 0 313.379 1.242 20 5 DDBDRO C[C@@H](CO)[C@H](C)[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000295634675 534145872 /nfs/dbraw/zinc/14/58/72/534145872.db2.gz BNGXOLLFNUTZCG-UWVGGRQHSA-N 1 0 313.329 1.669 20 5 DDBDRO C[C@@H]1CN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC[C@H]1[NH3+] ZINC000417238386 534313492 /nfs/dbraw/zinc/31/34/92/534313492.db2.gz YKXZBVLFPJASDR-BXUZGUMPSA-N 1 0 306.366 1.516 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N1CCC2(CC[NH2+]2)CC1 ZINC000424057761 534627751 /nfs/dbraw/zinc/62/77/51/534627751.db2.gz UFPAKESIZZVSIK-UHFFFAOYSA-N 1 0 305.334 1.328 20 5 DDBDRO CC(C)(C)c1ccc(C(=O)NC[C@H]2C[NH2+]CCO2)cc1[N+](=O)[O-] ZINC000423985948 526767546 /nfs/dbraw/zinc/76/75/46/526767546.db2.gz FBJHADYBRHWCOM-GFCCVEGCSA-N 1 0 321.377 1.611 20 5 DDBDRO [NH3+]C[C@@H](NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)C1CC1 ZINC000159189676 527204907 /nfs/dbraw/zinc/20/49/07/527204907.db2.gz XEBHEOMFCHDUBB-CQSZACIVSA-N 1 0 315.333 1.248 20 5 DDBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](O)Cn1ccnn1 ZINC000459727647 527529401 /nfs/dbraw/zinc/52/94/01/527529401.db2.gz ZAGQDPGXEJSRBT-CUXKMMBLSA-N 1 0 317.349 1.240 20 5 DDBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc([N+](=O)[O-])n1C ZINC000434062955 527895868 /nfs/dbraw/zinc/89/58/68/527895868.db2.gz PIDWIYZNIOZQER-NEPJUHHUSA-N 1 0 306.366 1.632 20 5 DDBDRO CC[NH+]1C[C@H](C)N(CCn2cc([N+](=O)[O-])ccc2=O)[C@@H](C)C1 ZINC000459478309 527972483 /nfs/dbraw/zinc/97/24/83/527972483.db2.gz MZXGJZARRJVXGU-STQMWFEESA-N 1 0 308.382 1.171 20 5 DDBDRO CCOc1ccc(C(=O)N2CCC3(CC[NH2+]3)CC2)cc1[N+](=O)[O-] ZINC000424050073 528390809 /nfs/dbraw/zinc/39/08/09/528390809.db2.gz BAQSIDXVKKEBGM-UHFFFAOYSA-N 1 0 319.361 1.962 20 5 DDBDRO CCCc1n[nH]c(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000331744405 528548133 /nfs/dbraw/zinc/54/81/33/528548133.db2.gz YFZFDLCICWNKPK-PWSUYJOCSA-N 1 0 321.381 1.627 20 5 DDBDRO CC(C)[N@@H+](Cc1cccnc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000305712143 528956738 /nfs/dbraw/zinc/95/67/38/528956738.db2.gz YFLOAENFMACBBY-HNNXBMFYSA-N 1 0 319.365 1.458 20 5 DDBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H]([NH3+])C1 ZINC000122729199 696724803 /nfs/dbraw/zinc/72/48/03/696724803.db2.gz QYRNCKSYQMNOGU-MRVPVSSYSA-N 1 0 319.770 1.278 20 5 DDBDRO CC[NH+](CC)CCNC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000063809266 696331404 /nfs/dbraw/zinc/33/14/04/696331404.db2.gz JREDINXRZOSNJB-UHFFFAOYSA-N 1 0 313.329 1.571 20 5 DDBDRO CC[N@H+](CCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C1CC1 ZINC000101958618 696609470 /nfs/dbraw/zinc/60/94/70/696609470.db2.gz RKGJKXRKPQAGMZ-UHFFFAOYSA-N 1 0 322.321 1.717 20 5 DDBDRO C[N@@H+]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000108342956 696633747 /nfs/dbraw/zinc/63/37/47/696633747.db2.gz NOQQHHRJWJYGMF-SNVBAGLBSA-N 1 0 322.321 1.575 20 5 DDBDRO O=[N+]([O-])c1ccc(Cl)cc1CNC[C@H]1CCCS1(=O)=O ZINC000127001747 696767178 /nfs/dbraw/zinc/76/71/78/696767178.db2.gz VSPMIRXRCBAVBF-LLVKDONJSA-N 1 0 318.782 1.915 20 5 DDBDRO Cc1c(C(=O)NC[C@@H]([NH3+])C2CC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000137506614 696858600 /nfs/dbraw/zinc/85/86/00/696858600.db2.gz IHDXOJRUARZBCO-LLVKDONJSA-N 1 0 322.321 1.587 20 5 DDBDRO C[NH+](C)[C@@H]1CCCN(Cn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000152298374 696897254 /nfs/dbraw/zinc/89/72/54/696897254.db2.gz FFLIHLWUEKWCPW-GFCCVEGCSA-N 1 0 320.349 1.486 20 5 DDBDRO C[NH+](C)C[C@@](C)(O)CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000153390622 696914725 /nfs/dbraw/zinc/91/47/25/696914725.db2.gz YWYJTNFFWLFWSB-ZDUSSCGKSA-N 1 0 315.757 1.291 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC[C@@H](c3ccccn3)C2)c1 ZINC000799191556 700127705 /nfs/dbraw/zinc/12/77/05/700127705.db2.gz NAELIFJNSVYBRE-OCCSQVGLSA-N 1 0 317.349 1.037 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@H](C[NH3+])C1CC1 ZINC000159930389 697313420 /nfs/dbraw/zinc/31/34/20/697313420.db2.gz JGWGTZWIKXDTKO-GFCCVEGCSA-N 1 0 313.379 1.261 20 5 DDBDRO Cc1cc(C(=O)N(C)CCCC[NH+](C)C)c(N)c([N+](=O)[O-])c1 ZINC000749396275 700161289 /nfs/dbraw/zinc/16/12/89/700161289.db2.gz FMZVSLSSCMRHQQ-UHFFFAOYSA-N 1 0 308.382 1.899 20 5 DDBDRO Cc1nn(C[N@H+](C)C[C@@H]2CCCOC2)c2ncc([N+](=O)[O-])cc12 ZINC000749951792 700193708 /nfs/dbraw/zinc/19/37/08/700193708.db2.gz CVHUJLKVBKSUPM-LBPRGKRZSA-N 1 0 319.365 1.964 20 5 DDBDRO COCCOC[C@H]1CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776590327 698123860 /nfs/dbraw/zinc/12/38/60/698123860.db2.gz ZNRKORDBTXXAMA-XJKSGUPXSA-N 1 0 324.377 1.613 20 5 DDBDRO C[C@@H]([NH2+]CC(=O)NC1CCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788638900 699329841 /nfs/dbraw/zinc/32/98/41/699329841.db2.gz JWIWBMXKTGZSFB-SNVBAGLBSA-N 1 0 306.366 1.886 20 5 DDBDRO CC(C)[C@@H](C[NH+](C)C)NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000733165103 699581742 /nfs/dbraw/zinc/58/17/42/699581742.db2.gz HDCTUTGYAQWOBT-CQSZACIVSA-N 1 0 309.366 1.676 20 5 DDBDRO C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CC[N@@H+]1C ZINC000741721810 699848837 /nfs/dbraw/zinc/84/88/37/699848837.db2.gz CQUXNWNRGOJRKG-NWDGAFQWSA-N 1 0 320.393 1.873 20 5 DDBDRO CC(C)[C@@H](C[NH+](C)C)NC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000801897429 700351111 /nfs/dbraw/zinc/35/11/11/700351111.db2.gz FXFQTZSEGHTCLK-GFCCVEGCSA-N 1 0 312.345 1.632 20 5 DDBDRO CC1(C)CC(NC(=O)c2cc([N+](=O)[O-])cnc2N)CC(C)(C)[NH2+]1 ZINC000757733079 700669948 /nfs/dbraw/zinc/66/99/48/700669948.db2.gz LGMARTYFIPFNTP-UHFFFAOYSA-N 1 0 321.381 1.611 20 5 DDBDRO O=C(CC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)C1CC1 ZINC000767430305 701106306 /nfs/dbraw/zinc/10/63/06/701106306.db2.gz QSLHBVRFYPMORQ-LBPRGKRZSA-N 1 0 304.350 1.845 20 5 DDBDRO CC[NH+]1CCN([C@H](C)CNc2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000804348631 701181283 /nfs/dbraw/zinc/18/12/83/701181283.db2.gz CRIXYMCGXJWQIO-GFCCVEGCSA-N 1 0 307.398 1.615 20 5 DDBDRO COc1ccc(CC(=O)N[C@@H](C)C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000868009847 701889849 /nfs/dbraw/zinc/88/98/49/701889849.db2.gz LTGDLMPQJVMMPP-NSHDSACASA-N 1 0 321.377 1.650 20 5 DDBDRO C[N@@H+]1CC[C@H]2CN(C(=O)NCc3ccccc3[N+](=O)[O-])CC[C@H]21 ZINC000868062298 701920737 /nfs/dbraw/zinc/92/07/37/701920737.db2.gz KJWFUVRYWCCNCI-UONOGXRCSA-N 1 0 318.377 1.830 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000868149072 701965687 /nfs/dbraw/zinc/96/56/87/701965687.db2.gz SWIGQOZYYJLNSN-DGCLKSJQSA-N 1 0 320.349 1.962 20 5 DDBDRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000868567913 702201976 /nfs/dbraw/zinc/20/19/76/702201976.db2.gz XBJYWAYRDZNVPW-GXFFZTMASA-N 1 0 309.341 1.827 20 5 DDBDRO C[N@@H+]1CC[C@H]2CN(c3ccc([N+](=O)[O-])c(C(N)=O)c3)CC[C@@H]21 ZINC000866208676 706649255 /nfs/dbraw/zinc/64/92/55/706649255.db2.gz KJNKXKOGPUMAFU-GWCFXTLKSA-N 1 0 304.350 1.224 20 5 DDBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCN1CC[C@H](O)C1 ZINC000866396832 706689270 /nfs/dbraw/zinc/68/92/70/706689270.db2.gz ASAPKUDWEULJHX-FZMZJTMJSA-N 1 0 311.357 1.321 20 5 DDBDRO O=C(CN1CC[C@@H]2C[NH2+]C[C@@H]21)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000842472745 702724660 /nfs/dbraw/zinc/72/46/60/702724660.db2.gz JUQPNPSTINNUIX-RNCFNFMXSA-N 1 0 324.768 1.480 20 5 DDBDRO C[NH2+][C@@H](C)Cc1noc(Cn2ncc3ccc([N+](=O)[O-])cc32)n1 ZINC000842627024 702745361 /nfs/dbraw/zinc/74/53/61/702745361.db2.gz AQFZUZZSXNDZKR-VIFPVBQESA-N 1 0 316.321 1.526 20 5 DDBDRO [NH3+]CC[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000842859464 702783815 /nfs/dbraw/zinc/78/38/15/702783815.db2.gz HOCYZLNUUCIEGA-VIFPVBQESA-N 1 0 319.408 1.548 20 5 DDBDRO CS[C@H](CO)[C@@H](C)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843083817 702815937 /nfs/dbraw/zinc/81/59/37/702815937.db2.gz RMHCGGQZZHGBHD-JIMOISOXSA-N 1 0 300.380 1.330 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H](CO)CC(F)(F)F)cc1 ZINC000843089419 702816458 /nfs/dbraw/zinc/81/64/58/702816458.db2.gz STZINOKUGFISFB-MWLCHTKSSA-N 1 0 308.256 1.531 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@H](CO)CN2CCCCC2)c1 ZINC000843113557 702821623 /nfs/dbraw/zinc/82/16/23/702821623.db2.gz WZPCSHJMYZXRBC-HOCLYGCPSA-N 1 0 323.393 1.065 20 5 DDBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CC[C@H]([NH3+])C1 ZINC000843346561 702863615 /nfs/dbraw/zinc/86/36/15/702863615.db2.gz OJEODOLGUZGSMP-BDAKNGLRSA-N 1 0 312.757 1.608 20 5 DDBDRO C[C@H](NC(=O)CO[C@@H]1CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000843380910 702870679 /nfs/dbraw/zinc/87/06/79/702870679.db2.gz GZILFYYWLKYMAY-SMDDNHRTSA-N 1 0 307.350 1.541 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N[C@H]2C[NH2+]CC[C@H]2C)cc1[N+](=O)[O-] ZINC000843463935 702887637 /nfs/dbraw/zinc/88/76/37/702887637.db2.gz KHOWYKIOBNBEPJ-KCJUWKMLSA-N 1 0 322.321 1.539 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)OCC[C@@H]1CC[N@@H+](C)C1 ZINC000847827375 703473763 /nfs/dbraw/zinc/47/37/63/703473763.db2.gz PFULRFHUMFBASK-LBPRGKRZSA-N 1 0 310.354 1.375 20 5 DDBDRO CC(C)OC[C@H]([NH3+])C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000851627112 703818079 /nfs/dbraw/zinc/81/80/79/703818079.db2.gz QGACZSYQWRHNGT-LBPRGKRZSA-N 1 0 315.757 1.617 20 5 DDBDRO O=C1CCC2=C(CC[N@@H+](CCOc3ccccc3[N+](=O)[O-])C2)N1 ZINC000852300236 704001885 /nfs/dbraw/zinc/00/18/85/704001885.db2.gz MFKPPRQTPOEBNL-UHFFFAOYSA-N 1 0 317.345 1.843 20 5 DDBDRO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000852316929 704010301 /nfs/dbraw/zinc/01/03/01/704010301.db2.gz ISGARTCVTFGWAE-NSHDSACASA-N 1 0 305.313 1.848 20 5 DDBDRO CO[C@]1(CO)CCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000852412705 704038243 /nfs/dbraw/zinc/03/82/43/704038243.db2.gz YDVZQMQTBDHKNW-HUUCEWRRSA-N 1 0 310.350 1.102 20 5 DDBDRO O=C(C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)N1CCCCC1 ZINC000819012588 704051576 /nfs/dbraw/zinc/05/15/76/704051576.db2.gz LNCAQLLTOAHFFJ-AWEZNQCLSA-N 1 0 307.350 1.230 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCC[C@](O)(C3CC3)C2)c1 ZINC000852500985 704064488 /nfs/dbraw/zinc/06/44/88/704064488.db2.gz HFWBVBZQQYVKLA-JKSUJKDBSA-N 1 0 306.362 1.865 20 5 DDBDRO CCc1nncn1CC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819089226 704068646 /nfs/dbraw/zinc/06/86/46/704068646.db2.gz IGFKFBVGHXGGNZ-CYBMUJFWSA-N 1 0 305.338 1.072 20 5 DDBDRO C[N@H+](C[C@H](O)CNCc1cc([N+](=O)[O-])ccc1Cl)C1CC1 ZINC000819149149 704076322 /nfs/dbraw/zinc/07/63/22/704076322.db2.gz HSCSTNCHXDUMJB-CYBMUJFWSA-N 1 0 313.785 1.793 20 5 DDBDRO CCNC(=O)N1CC[C@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819160930 704078520 /nfs/dbraw/zinc/07/85/20/704078520.db2.gz NUAIJFIRMIYMBX-GXTWGEPZSA-N 1 0 322.365 1.022 20 5 DDBDRO CCO[C@@H]1C[C@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@@H]1OC ZINC000819226943 704090380 /nfs/dbraw/zinc/09/03/80/704090380.db2.gz MANXAJQGPYJHHC-YJNKXOJESA-N 1 0 310.350 1.410 20 5 DDBDRO Cc1nnc(CC[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)s1 ZINC000819319503 704106792 /nfs/dbraw/zinc/10/67/92/704106792.db2.gz OFCRLRUOIVRZDX-GFCCVEGCSA-N 1 0 308.363 1.620 20 5 DDBDRO O=C1[C@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]2CCCCN12 ZINC000819359060 704112708 /nfs/dbraw/zinc/11/27/08/704112708.db2.gz SSAQMTYEPHMMDG-YUELXQCFSA-N 1 0 319.361 1.371 20 5 DDBDRO O=C(C=C1CC[NH2+]CC1)NCCNc1ccccc1[N+](=O)[O-] ZINC000852805180 704129466 /nfs/dbraw/zinc/12/94/66/704129466.db2.gz RIIZKVTYVRQPPC-UHFFFAOYSA-N 1 0 304.350 1.433 20 5 DDBDRO COCC(C)(C)[NH+]1CCN(C(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC000819635015 704153864 /nfs/dbraw/zinc/15/38/64/704153864.db2.gz DFMMDQBGVUHBDZ-UHFFFAOYSA-N 1 0 315.414 1.391 20 5 DDBDRO C[N@@H+]1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])CCC1(C)C ZINC000871153715 704232503 /nfs/dbraw/zinc/23/25/03/704232503.db2.gz SEYNFMUPKKLRSH-UHFFFAOYSA-N 1 0 320.393 1.949 20 5 DDBDRO C[C@@H](CNC(=O)CCc1cc(F)ccc1[N+](=O)[O-])C[NH+](C)C ZINC000820241670 704245144 /nfs/dbraw/zinc/24/51/44/704245144.db2.gz WBYKUYMSNQYSGK-NSHDSACASA-N 1 0 311.357 1.980 20 5 DDBDRO C[C@H]1COCCN(Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)C1 ZINC000853503502 704252099 /nfs/dbraw/zinc/25/20/99/704252099.db2.gz HQIWOAWJKWHQPJ-GFCCVEGCSA-N 1 0 317.349 1.779 20 5 DDBDRO C[C@]12COC[C@@H]1C[N@H+](Cn1ncc3ccc([N+](=O)[O-])cc31)C2 ZINC000853565929 704271679 /nfs/dbraw/zinc/27/16/79/704271679.db2.gz KQZQQFKFJRNRFM-WFASDCNBSA-N 1 0 302.334 1.870 20 5 DDBDRO Cc1noc(CONC(=[NH2+])COC[C@@H]2CCCO2)c1[N+](=O)[O-] ZINC000853728799 704306401 /nfs/dbraw/zinc/30/64/01/704306401.db2.gz ODPPKGNDGAIPTL-VIFPVBQESA-N 1 0 314.298 1.085 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(C(=O)N[C@@H](CO)C[NH+](C)C)cc1Cl ZINC000854467703 704402558 /nfs/dbraw/zinc/40/25/58/704402558.db2.gz JQYGKEGHVBFWRN-SECBINFHSA-N 1 0 315.757 1.209 20 5 DDBDRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000855163810 704471790 /nfs/dbraw/zinc/47/17/90/704471790.db2.gz GIXVDKDEPLLODO-NSHDSACASA-N 1 0 306.366 1.780 20 5 DDBDRO C[NH2+]C[C@@H](C)NC(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857765009 704621941 /nfs/dbraw/zinc/62/19/41/704621941.db2.gz HZXCRTZGUZUKMR-MRVPVSSYSA-N 1 0 303.265 1.291 20 5 DDBDRO CN1C(=O)CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C1=O ZINC000822520595 704966739 /nfs/dbraw/zinc/96/67/39/704966739.db2.gz IELPKIJAKNGSJG-JTQLQIEISA-N 1 0 311.725 1.485 20 5 DDBDRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000874834924 705191973 /nfs/dbraw/zinc/19/19/73/705191973.db2.gz VSDQGCGDVDSDSB-NWDGAFQWSA-N 1 0 304.350 1.486 20 5 DDBDRO CC(C)[NH+]1CCN(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000824009011 705354429 /nfs/dbraw/zinc/35/44/29/705354429.db2.gz ZHEBTYMHUBTYRW-UHFFFAOYSA-N 1 0 307.354 1.735 20 5 DDBDRO C[NH+](C)[C@@H]1C[C@@H](NC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C1(C)C ZINC000824094908 705374607 /nfs/dbraw/zinc/37/46/07/705374607.db2.gz NOCCNTXPQNELKY-MCIONIFRSA-N 1 0 321.377 1.473 20 5 DDBDRO CO[C@@H]1C[N@H+](C)[C@@](C)(COC(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000861352440 705441479 /nfs/dbraw/zinc/44/14/79/705441479.db2.gz JDISQSIEPGTBPT-SMDDNHRTSA-N 1 0 302.371 1.474 20 5 DDBDRO Cn1cc([N+](=O)[O-])c(C(=O)OCC23CCC[NH+](CCC2)C3)n1 ZINC000861360266 705445727 /nfs/dbraw/zinc/44/57/27/705445727.db2.gz NUOHHMRLTNUJFB-UHFFFAOYSA-N 1 0 308.338 1.361 20 5 DDBDRO C[C@H]1CCC[N@@H+]1CCNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000893877130 710871123 /nfs/dbraw/zinc/87/11/23/710871123.db2.gz UNAMCPZWJXPKNV-ZDUSSCGKSA-N 1 0 320.393 1.921 20 5 DDBDRO CN(CC1C[NH+](C)C1)C(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC000825180129 705617601 /nfs/dbraw/zinc/61/76/01/705617601.db2.gz DTPPYDNBABYBEL-UHFFFAOYSA-N 1 0 309.341 1.687 20 5 DDBDRO Cc1c(C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000825189030 705620367 /nfs/dbraw/zinc/62/03/67/705620367.db2.gz WGAFXDPQBDPRNC-ZJUUUORDSA-N 1 0 322.321 1.669 20 5 DDBDRO CC[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C(=O)NC ZINC000825315466 705643945 /nfs/dbraw/zinc/64/39/45/705643945.db2.gz BIBJNQWJRJTUDJ-HNNXBMFYSA-N 1 0 320.393 1.678 20 5 DDBDRO C[C@@]1(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C[NH2+]CCO1 ZINC000876704261 705827710 /nfs/dbraw/zinc/82/77/10/705827710.db2.gz WCVXMMWBOSMFRP-ZDUSSCGKSA-N 1 0 313.741 1.243 20 5 DDBDRO Cc1nn(C)cc1[C@H](C)[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877019467 705960417 /nfs/dbraw/zinc/96/04/17/705960417.db2.gz YMEUSFAABBUXJW-GCVQQVDUSA-N 1 0 304.354 1.888 20 5 DDBDRO CCOC(=O)C1=CC[C@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000863577445 705962824 /nfs/dbraw/zinc/96/28/24/705962824.db2.gz ZBTLGTJIFMIDFQ-ZFWWWQNUSA-N 1 0 320.345 1.870 20 5 DDBDRO CSC[C@@](C)(O)C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877055617 705973256 /nfs/dbraw/zinc/97/32/56/705973256.db2.gz CXKGPVQKQYIUBQ-CBINBANVSA-N 1 0 300.384 1.198 20 5 DDBDRO Cc1cc(C(=O)N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)c(N)c([N+](=O)[O-])c1 ZINC000827312337 705973365 /nfs/dbraw/zinc/97/33/65/705973365.db2.gz UNMORWJSMQSIBG-AAEUAGOBSA-N 1 0 318.377 1.652 20 5 DDBDRO C[N@@H+]1CC[C@H]2CN(C(=O)C(C)(C)n3cc([N+](=O)[O-])cn3)CC[C@H]21 ZINC000827328220 705976354 /nfs/dbraw/zinc/97/63/54/705976354.db2.gz DFQWIIHZFAYDNH-WCQYABFASA-N 1 0 321.381 1.079 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)CNc3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000827338669 705979583 /nfs/dbraw/zinc/97/95/83/705979583.db2.gz PZSGNMIGLFJPAO-OCCSQVGLSA-N 1 0 318.377 1.559 20 5 DDBDRO C[N@@H+]1CC[C@H]2CN(C(=O)COc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000827363509 705985575 /nfs/dbraw/zinc/98/55/75/705985575.db2.gz BBEAWCZSVYSKJX-WFASDCNBSA-N 1 0 319.361 1.526 20 5 DDBDRO C[C@](O)(C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)C(F)(F)F ZINC000877121209 705990210 /nfs/dbraw/zinc/99/02/10/705990210.db2.gz QGEYEMNIXJWVSI-KTOWXAHTSA-N 1 0 308.260 1.398 20 5 DDBDRO COc1ccc(CC(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)cc1[N+](=O)[O-] ZINC000877279692 706046583 /nfs/dbraw/zinc/04/65/83/706046583.db2.gz FAAGZKFYPLOWSV-STQMWFEESA-N 1 0 319.361 1.499 20 5 DDBDRO [NH3+]C[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C(F)(F)F ZINC000877371643 706084224 /nfs/dbraw/zinc/08/42/24/706084224.db2.gz UKGKKUXWDFVBTI-ONGXEEELSA-N 1 0 317.267 1.804 20 5 DDBDRO O=C(COc1ccccc1[N+](=O)[O-])N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000877400898 706096634 /nfs/dbraw/zinc/09/66/34/706096634.db2.gz XZWFUGCDOLKJTF-ZFWWWQNUSA-N 1 0 305.334 1.374 20 5 DDBDRO C[S@](=O)C1(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CCC1 ZINC000877496565 706123559 /nfs/dbraw/zinc/12/35/59/706123559.db2.gz VCRKGZVXPORLTE-VWQNSQQGSA-N 1 0 312.395 1.386 20 5 DDBDRO O=C1O[C@H](C[NH2+]CCc2ccc([N+](=O)[O-])cc2)CN1C1CC1 ZINC000877621752 706162017 /nfs/dbraw/zinc/16/20/17/706162017.db2.gz WAESZTCRIDYERF-CQSZACIVSA-N 1 0 305.334 1.710 20 5 DDBDRO O=C1[C@@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CCN1C1CCC1 ZINC000877662500 706173048 /nfs/dbraw/zinc/17/30/48/706173048.db2.gz TYIVYEKDQZFDRW-OVGLSYRBSA-N 1 0 319.365 1.238 20 5 DDBDRO O=[N+]([O-])c1c(N[C@H]2CCC[N@@H+](CCCO)C2)nc2ccccn21 ZINC000828461380 706184182 /nfs/dbraw/zinc/18/41/82/706184182.db2.gz VHIYYYYQFSFHEG-LBPRGKRZSA-N 1 0 319.365 1.501 20 5 DDBDRO CC[C@@H](C)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC)CC1 ZINC000829243265 706308107 /nfs/dbraw/zinc/30/81/07/706308107.db2.gz AEMJWUXICUFJFM-GFCCVEGCSA-N 1 0 320.393 1.875 20 5 DDBDRO CC(=O)N1C[C@@H]2C[N@@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC000880311478 706937536 /nfs/dbraw/zinc/93/75/36/706937536.db2.gz IDPVNZGVHSDACN-IJEWVQPXSA-N 1 0 319.361 1.038 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@H]1CCOC[C@H]1OC ZINC000880436983 706975538 /nfs/dbraw/zinc/97/55/38/706975538.db2.gz DWCBGRPFGQCERA-DZGCQCFKSA-N 1 0 310.350 1.839 20 5 DDBDRO C[N@@H+]1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C[C@@H]1C(C)(C)C ZINC000880613189 707041343 /nfs/dbraw/zinc/04/13/43/707041343.db2.gz NTXCVIFWUWIVKB-CQSZACIVSA-N 1 0 320.393 1.979 20 5 DDBDRO Cc1cc(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)c(N)c([N+](=O)[O-])c1 ZINC000834846359 707136893 /nfs/dbraw/zinc/13/68/93/707136893.db2.gz UDDGONCDNCWOPP-SNVBAGLBSA-N 1 0 314.292 1.212 20 5 DDBDRO O=[N+]([O-])c1c(F)nccc1N1CC[NH+](CC2CCOCC2)CC1 ZINC000881996315 707459311 /nfs/dbraw/zinc/45/93/11/707459311.db2.gz PGQQYZGNGOWIJU-UHFFFAOYSA-N 1 0 324.356 1.678 20 5 DDBDRO C[C@H]1CN(c2ccnc(F)c2[N+](=O)[O-])CC[N@@H+]1CC(C)(C)O ZINC000882232814 707550648 /nfs/dbraw/zinc/55/06/48/707550648.db2.gz AVKLDDQLKJYEPD-JTQLQIEISA-N 1 0 312.345 1.410 20 5 DDBDRO CC[C@H](C)[NH+]1CCN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000837006306 707563330 /nfs/dbraw/zinc/56/33/30/707563330.db2.gz DCSRDGNOUXDCDR-SWLSCSKDSA-N 1 0 321.377 1.571 20 5 DDBDRO COc1cc(CN2C[C@@H]3C[NH2+]C[C@]3(C)C2)c([N+](=O)[O-])cc1OC ZINC000873228065 707777982 /nfs/dbraw/zinc/77/79/82/707777982.db2.gz OWYYWFWFIYPIGP-BLLLJJGKSA-N 1 0 321.377 1.653 20 5 DDBDRO C[N@@H+]1CCC[C@@H](CCNC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000838149916 707855193 /nfs/dbraw/zinc/85/51/93/707855193.db2.gz QVFGMSBKQPIDNR-SWLSCSKDSA-N 1 0 321.377 1.476 20 5 DDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]Cc3cnn(CCF)c3)C2)c1 ZINC000897731972 708433520 /nfs/dbraw/zinc/43/35/20/708433520.db2.gz MAVGIOVVWBTRFI-UHFFFAOYSA-N 1 0 308.317 1.451 20 5 DDBDRO COc1cc(C(=O)OCCC[NH+](C)C)c([N+](=O)[O-])cc1OC ZINC000912593036 713041122 /nfs/dbraw/zinc/04/11/22/713041122.db2.gz URQHESDKCAFFAG-UHFFFAOYSA-N 1 0 312.322 1.721 20 5 DDBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2Cc1cccnc1[N+](=O)[O-] ZINC000886081775 708694535 /nfs/dbraw/zinc/69/45/35/708694535.db2.gz XNKANCAKXJRHQN-ILXRZTDVSA-N 1 0 320.393 1.673 20 5 DDBDRO NC(=O)c1ccc(C[N@@H+]2CC[C@H]([C@@H]3CCCO3)C2)c([N+](=O)[O-])c1 ZINC000886827925 708855617 /nfs/dbraw/zinc/85/56/17/708855617.db2.gz UFWDTHKRSMIRMS-ZFWWWQNUSA-N 1 0 319.361 1.695 20 5 DDBDRO C[NH+](C)[C@H]1C[C@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)C12CCC2 ZINC000898842743 708886916 /nfs/dbraw/zinc/88/69/16/708886916.db2.gz XQIYKDKPSNIHRX-STQMWFEESA-N 1 0 321.381 1.170 20 5 DDBDRO O=[N+]([O-])c1ncccc1Cn1cc(CC[NH+]2CCCCC2)nn1 ZINC000887462961 709048779 /nfs/dbraw/zinc/04/87/79/709048779.db2.gz KJBQOBJQBHNPPR-UHFFFAOYSA-N 1 0 316.365 1.658 20 5 DDBDRO O=[N+]([O-])CC[NH2+]C[C@@H](O)COc1cccc(C(F)(F)F)c1 ZINC000899873792 709224280 /nfs/dbraw/zinc/22/42/80/709224280.db2.gz UOJKCBHGGZEWCM-SNVBAGLBSA-N 1 0 308.256 1.311 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC12CC[NH+](C)CC2 ZINC000889223233 709464163 /nfs/dbraw/zinc/46/41/63/709464163.db2.gz RLWOKXSFVDNZPZ-UHFFFAOYSA-N 1 0 319.361 1.914 20 5 DDBDRO O=C(CNc1ccccc1[N+](=O)[O-])N1CC[C@H]([NH+]2CCC2)C1 ZINC000912920460 713124688 /nfs/dbraw/zinc/12/46/88/713124688.db2.gz WHRDFQVECQFNRY-LBPRGKRZSA-N 1 0 304.350 1.313 20 5 DDBDRO CC[N@@H+]1CCCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000910281354 709863250 /nfs/dbraw/zinc/86/32/50/709863250.db2.gz WUBRYEMGKNMRRW-SNVBAGLBSA-N 1 0 308.338 1.252 20 5 DDBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000891722327 710275481 /nfs/dbraw/zinc/27/54/81/710275481.db2.gz BZYUKMWPRFKYEE-ZBFHGGJFSA-N 1 0 318.377 1.721 20 5 DDBDRO C[C@@H](NC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000892092651 710370408 /nfs/dbraw/zinc/37/04/08/710370408.db2.gz KVCZYBPVWLDZRA-DMDPSCGWSA-N 1 0 306.366 1.953 20 5 DDBDRO COc1cc([N+](=O)[O-])cnc1N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000893374735 710622541 /nfs/dbraw/zinc/62/25/41/710622541.db2.gz QSMXOVZJRRTJGU-LLVKDONJSA-N 1 0 324.381 1.280 20 5 DDBDRO C[C@H]1[C@H](NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC[N@@H+]1C ZINC000928444783 713198836 /nfs/dbraw/zinc/19/88/36/713198836.db2.gz MLGGHNJTRINTNB-GXSJLCMTSA-N 1 0 302.334 1.899 20 5 DDBDRO C[C@H]1[C@@H](NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CC[N@@H+]1C ZINC000928450122 713202313 /nfs/dbraw/zinc/20/23/13/713202313.db2.gz SHNDEZSYVZZIEP-CABZTGNLSA-N 1 0 321.333 1.188 20 5 DDBDRO CC[C@@H]([NH2+]C[C@]1(CO)COCCN1C)c1cccc([N+](=O)[O-])c1 ZINC000903277672 711084750 /nfs/dbraw/zinc/08/47/50/711084750.db2.gz BVFPSFZSRCQAMQ-CVEARBPZSA-N 1 0 323.393 1.329 20 5 DDBDRO O=C(CCN[C@H]1CC[NH2+]C12CCC2)Nc1ccc([N+](=O)[O-])cc1 ZINC000903467380 711136094 /nfs/dbraw/zinc/13/60/94/711136094.db2.gz ATSDLMQXYQZPSV-AWEZNQCLSA-N 1 0 318.377 1.798 20 5 DDBDRO O=C(CCN1CCC[C@@]12CC[NH2+]C2)Nc1ccc([N+](=O)[O-])cc1 ZINC000903865871 711308357 /nfs/dbraw/zinc/30/83/57/711308357.db2.gz SERBOQRECVYGJV-INIZCTEOSA-N 1 0 318.377 1.751 20 5 DDBDRO C[C@H](Nc1nc2ccccn2c1[N+](=O)[O-])[C@H]1C[N@H+](C)CCN1C ZINC000895249673 711466236 /nfs/dbraw/zinc/46/62/36/711466236.db2.gz WOFKARMZULHBHF-NWDGAFQWSA-N 1 0 318.381 1.289 20 5 DDBDRO Cc1cc(NC[C@@H]2CC[N@H+]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000895771039 711602043 /nfs/dbraw/zinc/60/20/43/711602043.db2.gz FYMFXSRAIYMIBY-AWEZNQCLSA-N 1 0 313.361 1.898 20 5 DDBDRO CCO[C@H](CNc1ccc([N+](=O)[O-])cc1C(=O)NC)C[NH+](C)C ZINC000896118013 711678733 /nfs/dbraw/zinc/67/87/33/711678733.db2.gz QDMNDZKOOKDNPS-GFCCVEGCSA-N 1 0 324.381 1.333 20 5 DDBDRO C[C@H](NC(=O)c1ccc(F)cc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCN1C ZINC000896554422 711749979 /nfs/dbraw/zinc/74/99/79/711749979.db2.gz FLPQDDBXTWJUFP-IINYFYTJSA-N 1 0 324.356 1.098 20 5 DDBDRO Cn1cc(CNCC2([NH3+])CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000904444304 711859544 /nfs/dbraw/zinc/85/95/44/711859544.db2.gz PZLCYNVXVSSCLN-UHFFFAOYSA-N 1 0 301.350 1.576 20 5 DDBDRO O=C1C[C@@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CN1CC1CC1 ZINC000905452090 712041406 /nfs/dbraw/zinc/04/14/06/712041406.db2.gz MUWRXCTVXANAGW-UKRRQHHQSA-N 1 0 319.361 1.229 20 5 DDBDRO COC(=O)/C=C/c1ccc(NC[C@@H](O)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000915213769 713412906 /nfs/dbraw/zinc/41/29/06/713412906.db2.gz NDYFTWGVMMJXBI-HOSRBBHYSA-N 1 0 323.349 1.115 20 5 DDBDRO Cc1c(CNC(=O)N[C@H]2CC[N@H+](C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000922167839 713980926 /nfs/dbraw/zinc/98/09/26/713980926.db2.gz GYRKRBHXFFHQOL-AAEUAGOBSA-N 1 0 306.366 1.795 20 5 DDBDRO C[C@H]1[C@H]([NH+](C)C)CCN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000931043574 713989297 /nfs/dbraw/zinc/98/92/97/713989297.db2.gz QQULNZKQEVDCKO-GXTWGEPZSA-N 1 0 320.393 1.948 20 5 DDBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@H]([NH+](C)C)[C@@H]1C ZINC000931045739 713989996 /nfs/dbraw/zinc/98/99/96/713989996.db2.gz QVLOAFYQGBLVMW-SCRDCRAPSA-N 1 0 320.393 1.946 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000923332692 714318286 /nfs/dbraw/zinc/31/82/86/714318286.db2.gz MCTBJKBPKNDNIE-ZBFHGGJFSA-N 1 0 321.377 1.020 20 5 DDBDRO COC(C)(C)[C@@H](C)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000932371064 714319326 /nfs/dbraw/zinc/31/93/26/714319326.db2.gz SPJSNRVHWOZBKJ-NEPJUHHUSA-N 1 0 312.366 1.738 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC(CO)(C(F)(F)F)CC2)n1 ZINC000932823765 714419886 /nfs/dbraw/zinc/41/98/86/714419886.db2.gz CRSLCTNZYKRSGI-UHFFFAOYSA-N 1 0 322.287 1.428 20 5 DDBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)Cn1c(C)ncc1[N+](=O)[O-] ZINC000932966110 714445928 /nfs/dbraw/zinc/44/59/28/714445928.db2.gz ZHHZTMRCRPWFOJ-LBPRGKRZSA-N 1 0 309.370 1.090 20 5 DDBDRO C[C@@](CO)(Cc1ccccc1F)[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000933433827 714587835 /nfs/dbraw/zinc/58/78/35/714587835.db2.gz CNWBGSKWZOSAOS-HNNXBMFYSA-N 1 0 322.340 1.514 20 5 DDBDRO C[C@](CO)(Cc1ccccc1F)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000933434554 714588389 /nfs/dbraw/zinc/58/83/89/714588389.db2.gz KTHQRKTZLAADHI-OAHLLOKOSA-N 1 0 322.340 1.514 20 5 DDBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N1C(=O)N[C@@H](C[NH+](C)C)C1=O ZINC000924474620 714590524 /nfs/dbraw/zinc/59/05/24/714590524.db2.gz MMJQGVYNEAVGDW-CABZTGNLSA-N 1 0 306.322 1.138 20 5 DDBDRO C[N@@H+]1C[C@@H]2CN(CCOc3ccccc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000933745564 714661622 /nfs/dbraw/zinc/66/16/22/714661622.db2.gz REEJUTKIDHWOKE-CJNGLKHVSA-N 1 0 305.378 1.857 20 5 DDBDRO Cc1ccc([C@@H](C)N2C(=O)N[C@H](C[NH+](C)C)C2=O)cc1[N+](=O)[O-] ZINC000924795673 714666068 /nfs/dbraw/zinc/66/60/68/714666068.db2.gz YLSIEAWDXAECII-ZYHUDNBSSA-N 1 0 320.349 1.446 20 5 DDBDRO C[C@@H](c1ccc([N+](=O)[O-])cc1)N1C(=O)N[C@H](C[NH+](C)C)C1=O ZINC000924902048 714692431 /nfs/dbraw/zinc/69/24/31/714692431.db2.gz VTEBIXBOFNECRJ-JOYOIKCWSA-N 1 0 306.322 1.138 20 5 DDBDRO C[C@H]1[C@H](NC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)CC[N@@H+]1C ZINC000925333470 714815584 /nfs/dbraw/zinc/81/55/84/714815584.db2.gz FCMYAZQJCBSDHA-SMDDNHRTSA-N 1 0 318.377 1.755 20 5 DDBDRO C[C@]12CSC[C@H]1C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C2 ZINC000934770249 714897979 /nfs/dbraw/zinc/89/79/79/714897979.db2.gz JOOGOZOEIFBWJO-RISCZKNCSA-N 1 0 309.391 1.441 20 5 DDBDRO Cn1cc(C[N@@H+]2CCCC[C@@H]([C@@H]3CCOC3)C2)c([N+](=O)[O-])n1 ZINC000934832074 714912711 /nfs/dbraw/zinc/91/27/11/714912711.db2.gz NIFDRDMJQCTBSO-CHWSQXEVSA-N 1 0 308.382 1.967 20 5 DDBDRO C[C@@H]1C[NH2+]C[C@H]1N[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000925787157 714934747 /nfs/dbraw/zinc/93/47/47/714934747.db2.gz XSKWLNKYOACNOZ-DFBGVHRSSA-N 1 0 315.377 1.615 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000934951501 714937261 /nfs/dbraw/zinc/93/72/61/714937261.db2.gz OUSWEQNSECMHQU-CHWSQXEVSA-N 1 0 321.381 1.042 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000935663226 715112636 /nfs/dbraw/zinc/11/26/36/715112636.db2.gz PTQBLFVXBLGYAW-ZDUSSCGKSA-N 1 0 321.381 1.233 20 5 DDBDRO O=[N+]([O-])c1cccc2ccc(N3CCN4CC[NH2+]C[C@H]4C3)nc21 ZINC001164398920 718833042 /nfs/dbraw/zinc/83/30/42/718833042.db2.gz MGOOTIHVJADOGC-ZDUSSCGKSA-N 1 0 313.361 1.237 20 5 DDBDRO C[N@@H+]1CCO[C@@H]2CN(c3cnc4cc([N+](=O)[O-])ccc4n3)C[C@H]21 ZINC001164669130 719379589 /nfs/dbraw/zinc/37/95/89/719379589.db2.gz QBKCUQXSDZXWPF-ZIAGYGMSSA-N 1 0 315.333 1.057 20 5 DDBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)c1cn[nH]c1 ZINC001021862377 733625507 /nfs/dbraw/zinc/62/55/07/733625507.db2.gz LZRAQKXXHZYCQS-BETUJISGSA-N 1 0 315.333 1.369 20 5 DDBDRO O=C(C[NH+]1CCCC1)N[C@H]1C[C@@H](Nc2ncccc2[N+](=O)[O-])C1 ZINC001059649480 741476859 /nfs/dbraw/zinc/47/68/59/741476859.db2.gz FPEBOFTYHUGHRQ-TXEJJXNPSA-N 1 0 319.365 1.145 20 5 DDBDRO Cc1ccccc1OCCC[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126948847 742989074 /nfs/dbraw/zinc/98/90/74/742989074.db2.gz JLMCDXLFAILGRH-ZIAGYGMSSA-N 1 0 321.377 1.135 20 5 DDBDRO Cc1nc(C)c(C[NH+]2CCC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)o1 ZINC001002787134 743428775 /nfs/dbraw/zinc/42/87/75/743428775.db2.gz GBWACVHXJFZNHZ-CHWSQXEVSA-N 1 0 322.365 1.037 20 5 DDBDRO C[C@H]1[C@@H](CO)CC[N@@H+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001193897167 746231004 /nfs/dbraw/zinc/23/10/04/746231004.db2.gz BKEPZGVATJVOPQ-WDEREUQCSA-N 1 0 318.333 1.848 20 5 DDBDRO C[C@H]1CN(CCn2ccc([N+](=O)[O-])n2)CC[N@@H+]1C1CCCC1 ZINC001197798468 747268026 /nfs/dbraw/zinc/26/80/26/747268026.db2.gz MRXIVLYEKUMLCD-ZDUSSCGKSA-N 1 0 307.398 1.740 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCCNC(=O)CC1CCC1 ZINC001156186360 761943596 /nfs/dbraw/zinc/94/35/96/761943596.db2.gz LADARTOEWBIIPC-UHFFFAOYSA-N 1 0 309.370 1.114 20 5 DDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([NH2+]CC2=CCCCC2)CC1 ZINC000996428386 749586106 /nfs/dbraw/zinc/58/61/06/749586106.db2.gz AKXOCIMZUYPDNV-HUUCEWRRSA-N 1 0 307.394 1.733 20 5 DDBDRO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC[NH+](CC2CCCC2)CC1 ZINC001005380757 749949763 /nfs/dbraw/zinc/94/97/63/749949763.db2.gz GHGBALZHJDLMHQ-HUUCEWRRSA-N 1 0 309.410 1.765 20 5 DDBDRO Cc1nc(NC/C=C/CNC(=O)CC[NH+](C)C)ccc1[N+](=O)[O-] ZINC001107490004 750045627 /nfs/dbraw/zinc/04/56/27/750045627.db2.gz PCSVUUPMFMAGML-SNAWJCMRSA-N 1 0 321.381 1.334 20 5 DDBDRO CC[N@H+](C)CCC(=O)NCCCN(C)c1ccc([N+](=O)[O-])cn1 ZINC001095625494 750092660 /nfs/dbraw/zinc/09/26/60/750092660.db2.gz SUVUKORDNMWTLD-UHFFFAOYSA-N 1 0 323.397 1.274 20 5 DDBDRO CN(CC(C)(C)[NH3+])S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000692044478 750416320 /nfs/dbraw/zinc/41/63/20/750416320.db2.gz TVKRIVAZLAHHNL-UHFFFAOYSA-N 1 0 305.331 1.092 20 5 DDBDRO Cn1cc(Br)c(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)n1 ZINC001168979196 762148411 /nfs/dbraw/zinc/14/84/11/762148411.db2.gz WZVHRNJBZUPGNL-RKDXNWHRSA-N 1 0 317.187 1.718 20 5 DDBDRO O=C1COc2ccc(C[NH2+][C@@H]3CC[C@H](C[N+](=O)[O-])C3)cc2N1 ZINC001169003034 762172948 /nfs/dbraw/zinc/17/29/48/762172948.db2.gz MNNSVTJKPOSIQT-NWDGAFQWSA-N 1 0 305.334 1.553 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CCOc2ccc3c(c2)OCO3)C1 ZINC001168986809 762179400 /nfs/dbraw/zinc/17/94/00/762179400.db2.gz ZRTLONOXQNGQNP-VXGBXAGGSA-N 1 0 308.334 1.829 20 5 DDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CCC(Oc3ccncn3)CC2)C1 ZINC001169052543 762208039 /nfs/dbraw/zinc/20/80/39/762208039.db2.gz HAHKVLRGDWOOSC-QWHCGFSZSA-N 1 0 306.366 1.765 20 5 DDBDRO O=[N+]([O-])c1c(Cl)nc(Cl)nc1N1CCC[C@H]2[NH2+]C[C@H]21 ZINC001165390936 756948513 /nfs/dbraw/zinc/94/85/13/756948513.db2.gz MHQWTZLGTYGRPK-PHDIDXHHSA-N 1 0 304.137 1.632 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC(O)(C[NH+](C)C)CC1 ZINC000823683851 758342430 /nfs/dbraw/zinc/34/24/30/758342430.db2.gz FBTGRBVCDQQGPW-UHFFFAOYSA-N 1 0 321.377 1.432 20 5 DDBDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000826882879 759425119 /nfs/dbraw/zinc/42/51/19/759425119.db2.gz PEURJGHBUGAAJP-NFAWXSAZSA-N 1 0 321.377 1.617 20 5 DDBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)c1cn[nH]c1 ZINC001020004664 760411570 /nfs/dbraw/zinc/41/15/70/760411570.db2.gz UGSBVCQNFDPTTB-JOCQHMNTSA-N 1 0 315.333 1.369 20 5 DDBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1)c1cn[nH]c1 ZINC001020004776 760412439 /nfs/dbraw/zinc/41/24/39/760412439.db2.gz ZNZIIJZOCGYFPU-XYPYZODXSA-N 1 0 321.362 1.430 20 5 DDBDRO CC(C)[N@H+](C)[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001157011151 764294589 /nfs/dbraw/zinc/29/45/89/764294589.db2.gz XHJFJNPCEFXKHV-SNVBAGLBSA-N 1 0 309.326 1.817 20 5 DDBDRO COc1ccc(C[C@H](C)[NH2+]C[C@@H]2CN(C)CCO2)c([N+](=O)[O-])c1 ZINC001170299127 766227067 /nfs/dbraw/zinc/22/70/67/766227067.db2.gz QODUQCUBKZGMGE-SWLSCSKDSA-N 1 0 323.393 1.455 20 5 DDBDRO Cc1n[nH]c(C)c1C(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001135421322 771511238 /nfs/dbraw/zinc/51/12/38/771511238.db2.gz WQLZZMMBYAARLS-UHFFFAOYSA-N 1 0 317.349 1.454 20 5 DDBDRO O=C(Cc1ccco1)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001135587420 771590071 /nfs/dbraw/zinc/59/00/71/771590071.db2.gz YZLLCUQBEDWHOM-UHFFFAOYSA-N 1 0 303.318 1.636 20 5 DDBDRO C[NH+](C)CCCC(=O)N[C@H]1C[C@H](Nc2ncccc2[N+](=O)[O-])C1 ZINC001097091392 771619523 /nfs/dbraw/zinc/61/95/23/771619523.db2.gz MKFIQDSSOJFCBV-HAQNSBGRSA-N 1 0 321.381 1.391 20 5 DDBDRO C[NH+](C)CCC(=O)N[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001097096475 771622487 /nfs/dbraw/zinc/62/24/87/771622487.db2.gz MBJZBFIMBRJSGA-JOCQHMNTSA-N 1 0 306.366 1.606 20 5 DDBDRO Cc1nc(N[C@H]2C[C@H](NC(=O)CC[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC001097096821 771622594 /nfs/dbraw/zinc/62/25/94/771622594.db2.gz VOJLYCGABUMYEU-HAQNSBGRSA-N 1 0 321.381 1.309 20 5 DDBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cc(Cl)no1 ZINC001148647892 773549019 /nfs/dbraw/zinc/54/90/19/773549019.db2.gz AHPWZQDFGJJRJR-UHFFFAOYSA-N 1 0 324.724 1.756 20 5 DDBDRO CC[NH+](CC)CC(=O)NCC1(Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC001110148471 775027613 /nfs/dbraw/zinc/02/76/13/775027613.db2.gz CIEOHHNCOQBEDI-UHFFFAOYSA-N 1 0 320.393 1.997 20 5 DDBDRO CCC[N@H+](C)CCC(=O)NCCNc1nc(C)ccc1[N+](=O)[O-] ZINC001093771092 775068332 /nfs/dbraw/zinc/06/83/32/775068332.db2.gz XJXZWILZFHJJKM-UHFFFAOYSA-N 1 0 323.397 1.558 20 5 DDBDRO Cc1nc(NCCCNC(=O)C[N@@H+](C)C(C)C)ccc1[N+](=O)[O-] ZINC001094456936 775895933 /nfs/dbraw/zinc/89/59/33/775895933.db2.gz VJQMMURAMFDJBS-UHFFFAOYSA-N 1 0 323.397 1.557 20 5 DDBDRO COC(=O)C1C[NH+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172906194 776917131 /nfs/dbraw/zinc/91/71/31/776917131.db2.gz WNYCGXWHZOHYLG-CQSZACIVSA-N 1 0 304.346 1.947 20 5 DDBDRO CNC(=O)CC[N@H+](C)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172918259 776931104 /nfs/dbraw/zinc/93/11/04/776931104.db2.gz ZXDRJSBERIRREM-AWEZNQCLSA-N 1 0 305.378 1.910 20 5 DDBDRO N#CN1CC[NH+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172912955 776942671 /nfs/dbraw/zinc/94/26/71/776942671.db2.gz NFVGYZYBCKQZIR-OAHLLOKOSA-N 1 0 300.362 1.941 20 5 DDBDRO CC[C@H]([NH2+][C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-])C(N)=O ZINC001173176095 777033887 /nfs/dbraw/zinc/03/38/87/777033887.db2.gz XIRXBZLRULHVMT-SCZZXKLOSA-N 1 0 313.329 1.527 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)n2c(C)nnc2C[NH3+])c1F ZINC001173183871 777035405 /nfs/dbraw/zinc/03/54/05/777035405.db2.gz JZUWKCKZBYUUDB-QMMMGPOBSA-N 1 0 323.328 1.905 20 5 DDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N(c1ncccn1)C1C[NH2+]C1 ZINC001173233361 777063227 /nfs/dbraw/zinc/06/32/27/777063227.db2.gz VSQLLOIWKOYESO-LBPRGKRZSA-N 1 0 313.361 1.794 20 5 DDBDRO CCC[N@H+](C)CC(=O)N(C)CCNc1ncc([N+](=O)[O-])cc1C ZINC001101705841 777416375 /nfs/dbraw/zinc/41/63/75/777416375.db2.gz ZPWWBGFMXCCKDQ-UHFFFAOYSA-N 1 0 323.397 1.510 20 5 DDBDRO CCOC(=O)[C@@H]1C[C@H]1C[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC001175323486 777751319 /nfs/dbraw/zinc/75/13/19/777751319.db2.gz MWRJIJVVBZUNQY-SGIREYDYSA-N 1 0 322.361 1.591 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC(c3ncccn3)CC2)n1 ZINC001176293960 778105229 /nfs/dbraw/zinc/10/52/29/778105229.db2.gz ANTCLRUHVXZUTI-UHFFFAOYSA-N 1 0 302.338 1.461 20 5 DDBDRO Cc1nonc1C(=O)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001177443526 778612315 /nfs/dbraw/zinc/61/23/15/778612315.db2.gz FPGKTUICKNBSHX-UHFFFAOYSA-N 1 0 319.321 1.196 20 5 DDBDRO Cc1c(CC(=O)NC[C@@H]2C[NH+]3CCC2CC3)cccc1[N+](=O)[O-] ZINC001179895367 779520976 /nfs/dbraw/zinc/52/09/76/779520976.db2.gz SPZDIUAJGOELOA-OAHLLOKOSA-N 1 0 317.389 1.904 20 5 DDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC001116009681 780467130 /nfs/dbraw/zinc/46/71/30/780467130.db2.gz OSYZHQCKEPXUBH-LBPRGKRZSA-N 1 0 318.377 1.851 20 5 DDBDRO CC(C)(C)OC(=O)N1C[C@@H](OCCC[N+](C)(C)C)CC1=O ZINC001224624190 844923534 /nfs/dbraw/zinc/92/35/34/844923534.db2.gz VGQZTAZILVFOOU-LBPRGKRZSA-N 1 0 301.407 1.635 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])cnc1NC[C@@H]1CCC[NH2+]C[C@H]1C ZINC001155020993 861653029 /nfs/dbraw/zinc/65/30/29/861653029.db2.gz SAGCVWYSLQQOEB-MNOVXSKESA-N 1 0 322.365 1.824 20 5 DDBDRO O=[N+]([O-])c1cccc2ncnc(N[C@@H]3COCCC34C[NH2+]C4)c21 ZINC001155470456 862121880 /nfs/dbraw/zinc/12/18/80/862121880.db2.gz AYNLVSFBYLLHTG-GFCCVEGCSA-N 1 0 315.333 1.328 20 5 DDBDRO O=[N+]([O-])c1ccc2ncc(NC[C@@H]3CO[C@@H]4C[NH2+]C[C@H]34)nc2c1 ZINC001155483323 862144144 /nfs/dbraw/zinc/14/41/44/862144144.db2.gz TYQCUWZPKYJKOR-GLXFQSAKSA-N 1 0 315.333 1.184 20 5 DDBDRO COc1cnc(N[C@H]2CCO[C@@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC001155623997 862307944 /nfs/dbraw/zinc/30/79/44/862307944.db2.gz UTKPXDCTTHWXPF-HZMBPMFUSA-N 1 0 308.338 1.321 20 5 DDBDRO CCC1([NH+](C)C)CCN(C(=O)c2ccnc(N)c2[N+](=O)[O-])CC1 ZINC001150629503 862370954 /nfs/dbraw/zinc/37/09/54/862370954.db2.gz QXXVPUUSBUYGPD-UHFFFAOYSA-N 1 0 321.381 1.518 20 5 DDBDRO CN(c1nc(Cl)nc(Cl)c1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC001156172830 862772759 /nfs/dbraw/zinc/77/27/59/862772759.db2.gz YVUQVUANKMIBKW-UHFFFAOYSA-N 1 0 306.153 1.880 20 5 DDBDRO [NH3+][C@H]1CCN(c2nc(C(F)(F)F)nc(Cl)c2[N+](=O)[O-])C1 ZINC001156232035 862842699 /nfs/dbraw/zinc/84/26/99/862842699.db2.gz BATXNRBUHLRHHZ-BYPYZUCNSA-N 1 0 311.651 1.594 20 5 DDBDRO Cc1cc(F)cc(C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1[N+](=O)[O-] ZINC001122216253 858716369 /nfs/dbraw/zinc/71/63/69/858716369.db2.gz MWFDXQGVGIXKJG-WDEREUQCSA-N 1 0 307.325 1.724 20 5 DDBDRO [NH3+]C[C@@]12CC[C@H]1CCN2C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC001122320048 858751843 /nfs/dbraw/zinc/75/18/43/858751843.db2.gz MVYCSVAGUJOEPL-NHYWBVRUSA-N 1 0 305.334 1.313 20 5 DDBDRO C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H]1C[N@H+](C)CCN1C ZINC001123318758 859173293 /nfs/dbraw/zinc/17/32/93/859173293.db2.gz SGLIXIFVRFAHAZ-RISCZKNCSA-N 1 0 321.381 1.351 20 5 DDBDRO COC[C@H](C)OC[C@@H](C)OC[C@@H](C)OCCC[N+](C)(C)C ZINC001224623018 881475466 /nfs/dbraw/zinc/47/54/66/881475466.db2.gz JYWWJPLIKUTYGO-ARFHVFGLSA-N 1 0 306.467 1.944 20 5 DDBDRO [NH3+]C[C@H]1CCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC001326047768 861065591 /nfs/dbraw/zinc/06/55/91/861065591.db2.gz OJBRFBJURHNSIK-SECBINFHSA-N 1 0 316.317 1.269 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@@H]([N@H+](C)C(C)C)C1 ZINC001157002495 863510798 /nfs/dbraw/zinc/51/07/98/863510798.db2.gz ZMWPYRXBUPYQRY-LLVKDONJSA-N 1 0 322.365 1.695 20 5 DDBDRO CCN(CC)c1cccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)c1 ZINC001225237130 881733228 /nfs/dbraw/zinc/73/32/28/881733228.db2.gz QGDYUAHGXHGNLW-OAHLLOKOSA-N 1 0 309.430 1.895 20 5 DDBDRO COC(=O)c1ccnc(N(C(C)C)[C@H]2CC[NH2+]C2)c1[N+](=O)[O-] ZINC001158024773 864364839 /nfs/dbraw/zinc/36/48/39/864364839.db2.gz BMOMOEGEUHIZRK-JTQLQIEISA-N 1 0 308.338 1.353 20 5 DDBDRO COC(=O)c1ccnc(N2CC[N@H+](C(C)C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC001158494957 864688612 /nfs/dbraw/zinc/68/86/12/864688612.db2.gz TWFKNBRYSKAGDN-NSHDSACASA-N 1 0 322.365 1.695 20 5 DDBDRO COc1ncnc(N2CCCc3ccc(C[NH3+])nc32)c1[N+](=O)[O-] ZINC001158652289 864788290 /nfs/dbraw/zinc/78/82/90/864788290.db2.gz NELDHQXIAQCASB-UHFFFAOYSA-N 1 0 316.321 1.331 20 5 DDBDRO O=[N+]([O-])c1ccc2nc(Cl)nc(NC[C@H]3COCC[NH2+]3)c2c1 ZINC001159043007 865066558 /nfs/dbraw/zinc/06/65/58/865066558.db2.gz NVRXZUUMAWQTIP-QMMMGPOBSA-N 1 0 323.740 1.592 20 5 DDBDRO CC(C)(NC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F)c1ccc([N+](=O)[O-])cc1 ZINC001331690877 865247869 /nfs/dbraw/zinc/24/78/69/865247869.db2.gz DLOGMXXMJARFTA-QWRGUYRKSA-N 1 0 313.304 1.786 20 5 DDBDRO C[C@H](Nc1ccc2cccc([N+](=O)[O-])c2n1)[C@H]1C[NH2+]CCO1 ZINC001159498836 865349952 /nfs/dbraw/zinc/34/99/52/865349952.db2.gz RMYXGYNDRNSIAN-GXFFZTMASA-N 1 0 302.334 1.932 20 5 DDBDRO COc1ccc(CNC(=O)[C@H]2CCCC[C@@H]2[NH3+])cc1[N+](=O)[O-] ZINC001331913539 865429057 /nfs/dbraw/zinc/42/90/57/865429057.db2.gz WYFNFDVJKDSSTH-RYUDHWBXSA-N 1 0 307.350 1.737 20 5 DDBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(Nc2ccc(C[NH3+])nc2)n1 ZINC001160406739 865819298 /nfs/dbraw/zinc/81/92/98/865819298.db2.gz UWIJXYNKAXBRER-UHFFFAOYSA-N 1 0 317.309 1.249 20 5 DDBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001160472390 865867966 /nfs/dbraw/zinc/86/79/66/865867966.db2.gz CTCWNKXOGCFYKF-XYYAHUGASA-N 1 0 306.366 1.964 20 5 DDBDRO CC1(C)CC[C@@H](Nc2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])C1 ZINC001161031586 866294511 /nfs/dbraw/zinc/29/45/11/866294511.db2.gz DDSMJPCXTZQKLL-LLVKDONJSA-N 1 0 320.397 1.785 20 5 DDBDRO C[NH2+]C[C@H]1CCCCN1C(=O)CCn1cc([N+](=O)[O-])nc1C ZINC001333237192 866548042 /nfs/dbraw/zinc/54/80/42/866548042.db2.gz PRTPKJYNMOTUOF-GFCCVEGCSA-N 1 0 309.370 1.090 20 5 DDBDRO CC(C)Oc1nc(NCCN2CCC([NH3+])CC2)ccc1[N+](=O)[O-] ZINC001161870902 867054329 /nfs/dbraw/zinc/05/43/29/867054329.db2.gz RBFQUSSYBRENTL-UHFFFAOYSA-N 1 0 323.397 1.612 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cccc2cccc(O)c21 ZINC001225826909 882051674 /nfs/dbraw/zinc/05/16/74/882051674.db2.gz KSVCQSIDSWBGHI-CYBMUJFWSA-O 1 0 304.366 1.908 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1-c1nc([C@@H]2C[NH+]3CCC2CC3)no1 ZINC001321126765 867339922 /nfs/dbraw/zinc/33/99/22/867339922.db2.gz XCPBJUGVPYMDSG-LLVKDONJSA-N 1 0 303.322 1.793 20 5 DDBDRO CCOC(=O)c1cnc(N[C@@H]2CCC[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC001162390983 867506763 /nfs/dbraw/zinc/50/67/63/867506763.db2.gz KSMMNJZOGZPERE-WDEREUQCSA-N 1 0 308.338 1.848 20 5 DDBDRO O=[N+]([O-])c1c(NC[C@@H]2CCC(F)(F)C2)ncnc1C1C[NH2+]C1 ZINC001162647449 867701484 /nfs/dbraw/zinc/70/14/84/867701484.db2.gz BNQWJAOYVYHIGC-MRVPVSSYSA-N 1 0 313.308 1.919 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)ncnc2NC[C@@H]1CC[NH2+]C[C@@H]1F ZINC001162802070 867834155 /nfs/dbraw/zinc/83/41/55/867834155.db2.gz KSXKIPFJFWODCW-CABZTGNLSA-N 1 0 305.313 1.898 20 5 DDBDRO COC(=O)[C@@H](Nc1cc2cccnc2c([N+](=O)[O-])c1)C(C)(C)[NH3+] ZINC001162949007 867937479 /nfs/dbraw/zinc/93/74/79/867937479.db2.gz CPVAVSURUZSBHJ-CYBMUJFWSA-N 1 0 318.333 1.834 20 5 DDBDRO COCCOCCN(C)Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC001335062343 868037553 /nfs/dbraw/zinc/03/75/53/868037553.db2.gz QGZKOGQCPBXWIK-UHFFFAOYSA-N 1 0 314.338 1.404 20 5 DDBDRO O=[N+]([O-])c1ccc(N[C@H]2COCCC23C[NH2+]C3)c2ccncc21 ZINC001163074626 868058757 /nfs/dbraw/zinc/05/87/57/868058757.db2.gz XEPINVWAGQLYLM-HNNXBMFYSA-N 1 0 314.345 1.933 20 5 DDBDRO O=[N+]([O-])c1c(Cl)ncnc1NC[C@@H]1OC[C@H]2C[NH2+]CC[C@H]21 ZINC001163160681 868173557 /nfs/dbraw/zinc/17/35/57/868173557.db2.gz YVXCOVFROMFMRA-HLTSFMKQSA-N 1 0 313.745 1.075 20 5 DDBDRO CCOc1cnc(NC[C@H]2OC[C@H]3C[NH2+]CC[C@H]32)c([N+](=O)[O-])c1 ZINC001163164253 868177631 /nfs/dbraw/zinc/17/76/31/868177631.db2.gz RUOWPTKDZMLZGN-MPKXVKKWSA-N 1 0 322.365 1.425 20 5 DDBDRO O=[N+]([O-])c1cc[n+]([O-])c(NC[C@@H]2Cc3ccccc3C[NH2+]2)c1 ZINC001163269971 868287762 /nfs/dbraw/zinc/28/77/62/868287762.db2.gz IOCCLZVAICZSSB-ZDUSSCGKSA-N 1 0 300.318 1.355 20 5 DDBDRO Nc1ccnc(NC[C@H]2CO[C@]3(C2)CCC[NH2+]C3)c1[N+](=O)[O-] ZINC001163281313 868306221 /nfs/dbraw/zinc/30/62/21/868306221.db2.gz WRPDBOHOWRFMGC-HZMBPMFUSA-N 1 0 307.354 1.143 20 5 DDBDRO O=[N+]([O-])c1cc(NC[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)cnc1F ZINC001163286177 868310590 /nfs/dbraw/zinc/31/05/90/868310590.db2.gz ZILPHHMTWMEVEU-QMTHXVAHSA-N 1 0 310.329 1.700 20 5 DDBDRO Cn1nnnc1CCC[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC001335576904 868397214 /nfs/dbraw/zinc/39/72/14/868397214.db2.gz CFVFOHYGBQTJIX-UHFFFAOYSA-N 1 0 310.745 1.494 20 5 DDBDRO CC(C)(C)OC(=O)CCNc1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-] ZINC001163410049 868428572 /nfs/dbraw/zinc/42/85/72/868428572.db2.gz CKKBBMJMSDGNHX-UHFFFAOYSA-N 1 0 323.353 1.215 20 5 DDBDRO CCOC(=O)CC1([NH3+])CCN(c2cc([N+](=O)[O-])ccn2)CC1 ZINC001163527809 868509567 /nfs/dbraw/zinc/50/95/67/868509567.db2.gz LFKSZEZWFJNGAO-UHFFFAOYSA-N 1 0 308.338 1.241 20 5 DDBDRO [NH3+]C1(CO)CCN(c2cc(C(F)(F)F)ccc2[N+](=O)[O-])CC1 ZINC001335842669 868572666 /nfs/dbraw/zinc/57/26/66/868572666.db2.gz MIEQOFCDLXKGGP-UHFFFAOYSA-N 1 0 319.283 1.904 20 5 DDBDRO [NH3+]CCN(CCO)c1nc(-c2ccccc2)ccc1[N+](=O)[O-] ZINC001163827734 868738768 /nfs/dbraw/zinc/73/87/68/868738768.db2.gz KYAKGLWTUBVODJ-UHFFFAOYSA-N 1 0 302.334 1.414 20 5 DDBDRO O=C(c1cccc([N+](=O)[O-])c1)N1CC[NH2+]CCC12CCOCC2 ZINC001336687740 869094106 /nfs/dbraw/zinc/09/41/06/869094106.db2.gz AUDBWTDKHWOAAV-UHFFFAOYSA-N 1 0 319.361 1.580 20 5 DDBDRO C[C@H](NC(=O)N1CC2CC1(C[NH3+])C2)c1ccc([N+](=O)[O-])cc1 ZINC001336728861 869112197 /nfs/dbraw/zinc/11/21/97/869112197.db2.gz ULPCSXSQOWYMBO-NLTNOIMHSA-N 1 0 304.350 1.789 20 5 DDBDRO O=[N+]([O-])c1ccc(-c2ccc(-n3cnc4c3C[NH2+]CC4)nn2)cc1 ZINC001164317075 869120180 /nfs/dbraw/zinc/12/01/80/869120180.db2.gz WQUAOZUGPFKQRF-UHFFFAOYSA-N 1 0 322.328 1.883 20 5 DDBDRO O=C1OCC[C@@H]1CCC[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC001336758855 869127528 /nfs/dbraw/zinc/12/75/28/869127528.db2.gz VGKNQOPOLKDLBC-UNXYVOJBSA-N 1 0 308.338 1.428 20 5 DDBDRO Cc1c(CNC(=O)N2CCC[C@]23CC[NH2+]C3)cccc1[N+](=O)[O-] ZINC001336878969 869196589 /nfs/dbraw/zinc/19/65/89/869196589.db2.gz HPPCBQVZXKXLRL-MRXNPFEDSA-N 1 0 318.377 1.941 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H]1[C@H]2CCC[NH2+][C@H]2C1(C)C ZINC001336996105 869250902 /nfs/dbraw/zinc/25/09/02/869250902.db2.gz XTCIFBSXCILYPA-CYZMBNFOSA-N 1 0 306.366 1.440 20 5 DDBDRO [NH3+]C1(C(=O)NCc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC001337069740 869305206 /nfs/dbraw/zinc/30/52/06/869305206.db2.gz ZQUMEGUJPQBMAV-UHFFFAOYSA-N 1 0 314.139 1.465 20 5 DDBDRO CC1([NH+]2CCOCC2)CCN(c2cc(N)c([N+](=O)[O-])cn2)CC1 ZINC001165133978 869402501 /nfs/dbraw/zinc/40/25/01/869402501.db2.gz MFKJAULWQGUBLD-UHFFFAOYSA-N 1 0 321.381 1.263 20 5 DDBDRO CN(C)/C=C\c1cc(N2CC3(C2)C[NH+](C)C3)ncc1[N+](=O)[O-] ZINC001165206645 869431883 /nfs/dbraw/zinc/43/18/83/869431883.db2.gz OLJBEIKEIHWZSF-PLNGDYQASA-N 1 0 303.366 1.274 20 5 DDBDRO CCOc1nc(N2CC[C@@]3(C2)CCC[NH2+]C3)ccc1[N+](=O)[O-] ZINC001165241389 869460360 /nfs/dbraw/zinc/46/03/60/869460360.db2.gz WHDXETUTNHQZHZ-HNNXBMFYSA-N 1 0 306.366 1.968 20 5 DDBDRO O=[N+]([O-])c1ccc2ccc(N3C[C@H]4C[NH2+]C[C@@]4(CO)C3)nc2c1 ZINC001165284275 869494415 /nfs/dbraw/zinc/49/44/15/869494415.db2.gz XEHVBVIKNTZBOH-WBMJQRKESA-N 1 0 314.345 1.161 20 5 DDBDRO O=[N+]([O-])c1cc[n+]([O-])c(N2C[C@H]3c4ccccc4C[NH2+][C@@H]3C2)c1 ZINC001165349464 869535581 /nfs/dbraw/zinc/53/55/81/869535581.db2.gz ARDZKQQUIWAXAO-LSDHHAIUSA-N 1 0 312.329 1.304 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)ncnc2N1CCC(C2C[NH2+]C2)CC1 ZINC001165410875 869576669 /nfs/dbraw/zinc/57/66/69/869576669.db2.gz NILSFRGTHLSYOJ-UHFFFAOYSA-N 1 0 313.361 1.974 20 5 DDBDRO O=[N+]([O-])c1ccc2ncnc(N3CCC(C4C[NH2+]C4)CC3)c2c1 ZINC001165411787 869578748 /nfs/dbraw/zinc/57/87/48/869578748.db2.gz XFUGRSFFRSFBNC-UHFFFAOYSA-N 1 0 313.361 1.974 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(N[C@H](C)[C@@H]2C[N@H+](C)CCN2C)c1 ZINC001337678384 869592341 /nfs/dbraw/zinc/59/23/41/869592341.db2.gz HTXRCCITBIOMGR-ABAIWWIYSA-N 1 0 308.382 1.650 20 5 DDBDRO [NH3+]CCc1nccn1-c1nccc(Br)c1[N+](=O)[O-] ZINC001166383251 869976856 /nfs/dbraw/zinc/97/68/56/869976856.db2.gz NUWLCVKJOAMNOR-UHFFFAOYSA-N 1 0 312.127 1.439 20 5 DDBDRO CC[N@@H+]1CCN(c2nnc(-c3c[nH]c([N+](=O)[O-])c3)n2C)C[C@H]1C ZINC001338461282 869990664 /nfs/dbraw/zinc/99/06/64/869990664.db2.gz KXYDTMACCSGZMN-SNVBAGLBSA-N 1 0 319.369 1.249 20 5 DDBDRO COC(=O)C1(Nc2cc([N+](=O)[O-])cc(F)c2C)CC[NH2+]CC1 ZINC001166981794 870447738 /nfs/dbraw/zinc/44/77/38/870447738.db2.gz OLAVAZJJUGBGAJ-UHFFFAOYSA-N 1 0 311.313 1.749 20 5 DDBDRO C[C@H]1[C@@H](NC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC001303799175 871155524 /nfs/dbraw/zinc/15/55/24/871155524.db2.gz DHFCYMBXQYIYGB-CABZTGNLSA-N 1 0 311.769 2.000 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](C(=O)N(C)C)C1 ZINC001308108818 871471966 /nfs/dbraw/zinc/47/19/66/871471966.db2.gz MKFPHSMQZMAEDC-ZDUSSCGKSA-N 1 0 321.377 1.904 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCCC[C@]23CCCOC3)c1 ZINC001308171584 871478132 /nfs/dbraw/zinc/47/81/32/871478132.db2.gz VKCLWKIADIORFB-HUUCEWRRSA-N 1 0 324.381 1.187 20 5 DDBDRO C[C@H](CNC(=O)CO[C@H]1CCC[NH2+]C1)c1ccccc1[N+](=O)[O-] ZINC001341428699 871656845 /nfs/dbraw/zinc/65/68/45/871656845.db2.gz LPRCGUDWCLFJQY-OLZOCXBDSA-N 1 0 321.377 1.583 20 5 DDBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)[C@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC001341513204 871688109 /nfs/dbraw/zinc/68/81/09/871688109.db2.gz AUQGIOXUNQQRPG-MDZLAQPJSA-N 1 0 309.753 1.720 20 5 DDBDRO [NH3+]C[C@@H]1CC[C@H](NC(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC001341797813 871830361 /nfs/dbraw/zinc/83/03/61/871830361.db2.gz NRBRUFOQKYLUOA-BQPHKTIFSA-N 1 0 303.362 1.942 20 5 DDBDRO CCN(C(=O)CNc1ccccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC001342175511 872051006 /nfs/dbraw/zinc/05/10/06/872051006.db2.gz VNQAJNRXBGXWFG-GFCCVEGCSA-N 1 0 306.366 1.607 20 5 DDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC001343401438 872610813 /nfs/dbraw/zinc/61/08/13/872610813.db2.gz UIFPXGPEYQBEJQ-MEDUHNTESA-N 1 0 318.377 1.660 20 5 DDBDRO Cc1c(CC(=O)NC[C@@H]2CCC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC001343629715 872692542 /nfs/dbraw/zinc/69/25/42/872692542.db2.gz XXZHXQNLEAFBFU-CYBMUJFWSA-N 1 0 305.378 1.952 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1[C@H](C)C[NH2+][C@H](C)[C@H]1C ZINC001344845978 873143090 /nfs/dbraw/zinc/14/30/90/873143090.db2.gz HRYNSSNXOUBUDQ-GMTAPVOTSA-N 1 0 309.370 1.087 20 5 DDBDRO C[C@@H](NC(=O)NCC12CC(C1)C[NH2+]2)c1ccc([N+](=O)[O-])cc1 ZINC001346513588 873784343 /nfs/dbraw/zinc/78/43/43/873784343.db2.gz QWMHEQGQKLWNRJ-RWWNRMGGSA-N 1 0 304.350 1.707 20 5 DDBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC001350606268 875782175 /nfs/dbraw/zinc/78/21/75/875782175.db2.gz RJITZYHAESPYMA-LLVKDONJSA-N 1 0 307.354 1.783 20 5 DDBDRO NC(=O)C[C@@H]1CCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000175249149 875871176 /nfs/dbraw/zinc/87/11/76/875871176.db2.gz IVONJECVJHBZHT-ZDUSSCGKSA-N 1 0 321.377 1.951 20 5 DDBDRO C[C@H](NC(=O)[C@H]1[NH2+]CC12CCOCC2)c1cccc([N+](=O)[O-])c1 ZINC001353071018 877099386 /nfs/dbraw/zinc/09/93/86/877099386.db2.gz GANYBOUPMBUAOF-SMDDNHRTSA-N 1 0 319.361 1.541 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)c1 ZINC001353174753 877161951 /nfs/dbraw/zinc/16/19/51/877161951.db2.gz KIEKXXOIVOWZJO-JTQLQIEISA-N 1 0 313.304 1.878 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@@H]2CCc3cncn3C2)cc1 ZINC001353238318 877208059 /nfs/dbraw/zinc/20/80/59/877208059.db2.gz FRNSFSCNRYWZTF-DOMZBBRYSA-N 1 0 302.334 1.429 20 5 DDBDRO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3cccc(F)c3[N+](=O)[O-])[C@@H]2C1 ZINC001353381044 877289855 /nfs/dbraw/zinc/28/98/55/877289855.db2.gz VCZPPKUIGIVHSD-SCRDCRAPSA-N 1 0 321.352 1.733 20 5 DDBDRO O=C(N[C@H]1C[NH+]2CCC1CC2)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC001353787819 877563258 /nfs/dbraw/zinc/56/32/58/877563258.db2.gz ILFLHNMXSAWJTK-ZDUSSCGKSA-N 1 0 314.345 1.900 20 5 DDBDRO N[C@]1(C(=O)Nc2cc3cccnc3c3ncccc23)CC[NH2+]C1 ZINC001218978793 877848980 /nfs/dbraw/zinc/84/89/80/877848980.db2.gz ANEIPURSXNPOSQ-QGZVFWFLSA-N 1 0 307.357 1.412 20 5 DDBDRO Nc1ccc2n(C(=O)[C@]3(N)CC[NH2+]C3)c3ccccc3cc-2c1=O ZINC001219255557 878059644 /nfs/dbraw/zinc/05/96/44/878059644.db2.gz FLSRARJMTIGKFT-SFHVURJKSA-N 1 0 322.368 1.020 20 5 DDBDRO Cc1c(CC(=O)N2CCC[C@]23CC[NH2+]C3)cccc1[N+](=O)[O-] ZINC001355610725 878645639 /nfs/dbraw/zinc/64/56/39/878645639.db2.gz BONVNVGLQKEADY-MRXNPFEDSA-N 1 0 303.362 1.800 20 5 DDBDRO CCOc1ccc(C(=O)N[C@]23CCC[C@H]2C[NH2+]C3)cc1[N+](=O)[O-] ZINC001355730137 878693758 /nfs/dbraw/zinc/69/37/58/878693758.db2.gz NITANWSANRFBEV-LRDDRELGSA-N 1 0 319.361 1.865 20 5 DDBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[NH2+]CC12CC2 ZINC001356482749 879073654 /nfs/dbraw/zinc/07/36/54/879073654.db2.gz DUMSYXOMEOYVCS-LBPRGKRZSA-N 1 0 307.375 1.799 20 5 DDBDRO O=C(NCC12CC(C1)C[NH2+]2)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001357874475 880234937 /nfs/dbraw/zinc/23/49/37/880234937.db2.gz VFJGHEHLBAHBHE-QRUJWNCHSA-N 1 0 301.346 1.567 20 5 DDBDRO Cc1nc2ccccn2c(=O)c1CCO[C@H](C)C[N+](C)(C)C ZINC001222103655 880254816 /nfs/dbraw/zinc/25/48/16/880254816.db2.gz MJVLFVLADYYDOP-CYBMUJFWSA-N 1 0 304.414 1.657 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CO[C@@H]1C[C@@H]2CC(=O)C[C@H]1[N@@H+]2C ZINC001223103958 880830256 /nfs/dbraw/zinc/83/02/56/880830256.db2.gz ISTDGUCOHHKEAT-JGGQBBKZSA-N 1 0 320.345 1.924 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cc(F)cc2scnc21 ZINC001229279861 883904036 /nfs/dbraw/zinc/90/40/36/883904036.db2.gz RHVPZNMWPPVXSS-SNVBAGLBSA-N 1 0 313.374 1.798 20 5 DDBDRO O=[N+]([O-])c1c[n+]([O-])ccc1O[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001229454844 883993073 /nfs/dbraw/zinc/99/30/73/883993073.db2.gz RGEWWXDICQYJOG-CQSZACIVSA-N 1 0 315.329 1.882 20 5 DDBDRO CC(=O)n1cc(OC(=O)C[C@@H](O)C[N+](C)(C)C)c2ccccc21 ZINC001229529117 884032157 /nfs/dbraw/zinc/03/21/57/884032157.db2.gz LSWPEUQDBAMGQL-CYBMUJFWSA-N 1 0 319.381 1.664 20 5 DDBDRO COC(=O)c1cccc(O[C@H](C)C[N+](C)(C)C)c1C(=O)OC ZINC001229595244 884062795 /nfs/dbraw/zinc/06/27/95/884062795.db2.gz GLHIHLIENOOWGY-LLVKDONJSA-N 1 0 310.370 1.733 20 5 DDBDRO COc1c(F)ccc(F)c1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001229655446 884093592 /nfs/dbraw/zinc/09/35/92/884093592.db2.gz LNEYKHZFMBNBQP-SECBINFHSA-N 1 0 304.313 1.336 20 5 DDBDRO CCOc1ccc(F)c(OC(=O)C[C@@H](O)C[N+](C)(C)C)c1 ZINC001234199242 887741132 /nfs/dbraw/zinc/74/11/32/887741132.db2.gz VKRXKPUIRUFNGD-LLVKDONJSA-N 1 0 300.350 1.587 20 5 DDBDRO COc1ccc(C[C@H](C)N2C[C@@H]3CC[C@@]3([NH3+])C2)c([N+](=O)[O-])c1 ZINC001246856291 892943479 /nfs/dbraw/zinc/94/34/79/892943479.db2.gz WQIGTDLEXJKRDA-DETPVDSQSA-N 1 0 305.378 1.958 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@](C)(CO)[C@H](O)C1 ZINC001254553294 896499355 /nfs/dbraw/zinc/49/93/55/896499355.db2.gz UQIKMOKMRJMVPR-DAXOMENPSA-N 1 0 308.378 1.591 20 5 DDBDRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254581640 896512999 /nfs/dbraw/zinc/51/29/99/896512999.db2.gz PELYVIYIQDWTPM-YUELXQCFSA-N 1 0 304.346 1.993 20 5 DDBDRO O=C(N[C@@H]1C[NH2+]CC2(CCOCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC001263188532 900527258 /nfs/dbraw/zinc/52/72/58/900527258.db2.gz TURLCHCSEGLHBJ-ZDUSSCGKSA-N 1 0 319.361 1.483 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H](C[NH3+])[C@@H](C)C2)c1 ZINC001263213726 900536008 /nfs/dbraw/zinc/53/60/08/900536008.db2.gz BVXUMGVKVFGPBF-WDEREUQCSA-N 1 0 307.350 1.660 20 5 DDBDRO COCC[C@@H]1C[NH2+]CCN1C(=O)c1cc([N+](=O)[O-])ccc1C ZINC001263254607 900547754 /nfs/dbraw/zinc/54/77/54/900547754.db2.gz KIMZSHYOSXWXJS-CYBMUJFWSA-N 1 0 307.350 1.354 20 5 DDBDRO O=C(CNc1ccccc1[N+](=O)[O-])N1CCC[C@]12CC[NH2+]C2 ZINC001263259259 900549980 /nfs/dbraw/zinc/54/99/80/900549980.db2.gz ROPWMSRHIWQDGV-OAHLLOKOSA-N 1 0 304.350 1.361 20 5 DDBDRO O=C(NC[C@H]1C[C@@H]([NH2+]CCCC2CCC2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001263832679 900748554 /nfs/dbraw/zinc/74/85/54/900748554.db2.gz VQQCGXSPGNDHQI-LXTVHRRPSA-N 1 0 309.410 1.716 20 5 DDBDRO C[N@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CCc1ccccc1F ZINC001265844992 902482176 /nfs/dbraw/zinc/48/21/76/902482176.db2.gz ABXCKNYPVHOZQI-UKRRQHHQSA-N 1 0 323.368 1.472 20 5 DDBDRO CC(=O)N1CCC(O)(C[NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC001281586088 905065565 /nfs/dbraw/zinc/06/55/65/905065565.db2.gz GMBVDVNGOULBIE-UHFFFAOYSA-N 1 0 313.379 1.119 20 5 DDBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2C[C@H](O)[C@@H](O)C2)s1 ZINC000278324040 214091448 /nfs/dbraw/zinc/09/14/48/214091448.db2.gz GLLOHFWHHSILMT-KBPBESRZSA-N 1 0 320.370 1.861 20 5 DDBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000449733998 230639712 /nfs/dbraw/zinc/63/97/12/230639712.db2.gz QVXCBYZQRRHERP-SWLSCSKDSA-N 1 0 318.377 1.607 20 5 DDBDRO COc1ccc(NC(=O)N2CC[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000272857354 210250778 /nfs/dbraw/zinc/25/07/78/210250778.db2.gz RMVZCTBLWHAIHC-LLVKDONJSA-N 1 0 308.338 1.771 20 5 DDBDRO CO[C@H]1C[C@@H]([N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)C12CCC2 ZINC000451864617 231216049 /nfs/dbraw/zinc/21/60/49/231216049.db2.gz ZXEVRKUAACTEAM-KGLIPLIRSA-N 1 0 321.377 1.646 20 5 DDBDRO CCc1cc(N[C@@H]2CC[NH2+]C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000420134776 529506042 /nfs/dbraw/zinc/50/60/42/529506042.db2.gz FZANTXFVZZPLSO-CYBMUJFWSA-N 1 0 313.361 1.810 20 5 DDBDRO Cc1c(C(=O)NC[C@H]2CCCC[N@@H+]2CCO)cccc1[N+](=O)[O-] ZINC000452391797 231375687 /nfs/dbraw/zinc/37/56/87/231375687.db2.gz QKEFCNSDQXJTLT-CYBMUJFWSA-N 1 0 321.377 1.480 20 5 DDBDRO CC[NH+](CC)C[C@@H]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090551211 185302424 /nfs/dbraw/zinc/30/24/24/185302424.db2.gz KJTIQMMTYUTPMH-AWEZNQCLSA-N 1 0 322.409 1.420 20 5 DDBDRO CC[C@H]([NH2+]CCN1C(=O)CNC1=O)c1cccc([N+](=O)[O-])c1 ZINC000181527584 199311871 /nfs/dbraw/zinc/31/18/71/199311871.db2.gz TVFQECCFFLTJIU-LBPRGKRZSA-N 1 0 306.322 1.187 20 5 DDBDRO C[NH+]1CCN(CCNc2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413035636 529772425 /nfs/dbraw/zinc/77/24/25/529772425.db2.gz PXFLWMNRSGJUGL-UHFFFAOYSA-N 1 0 315.377 1.802 20 5 DDBDRO CC(C)[NH+]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000027421598 190655015 /nfs/dbraw/zinc/65/50/15/190655015.db2.gz KSNIUAXJIWHFJE-UHFFFAOYSA-N 1 0 306.366 1.220 20 5 DDBDRO C[NH2+]C1CCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000430945167 529956076 /nfs/dbraw/zinc/95/60/76/529956076.db2.gz PUGIHXUJVJLAOQ-NSHDSACASA-N 1 0 306.366 1.606 20 5 DDBDRO CN1CC[N@H+](C)C[C@@H]1CNc1nccc2ccc([N+](=O)[O-])cc21 ZINC000413149590 530070271 /nfs/dbraw/zinc/07/02/71/530070271.db2.gz VAHCVMPHWOXKCH-AWEZNQCLSA-N 1 0 315.377 1.801 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000616092300 362543374 /nfs/dbraw/zinc/54/33/74/362543374.db2.gz YLGJRGYFHQYFQQ-OAHLLOKOSA-N 1 0 316.361 1.966 20 5 DDBDRO C[C@H]([NH2+]CCC(=O)N1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000159256171 290755282 /nfs/dbraw/zinc/75/52/82/290755282.db2.gz LTBUZKBAHFSUIP-LBPRGKRZSA-N 1 0 307.350 1.494 20 5 DDBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000181834903 199359001 /nfs/dbraw/zinc/35/90/01/199359001.db2.gz MRBGUDCGXAZFQS-GFCCVEGCSA-N 1 0 307.350 1.413 20 5 DDBDRO C[C@H](O)C[C@H]1CCCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000279677537 215053116 /nfs/dbraw/zinc/05/31/16/215053116.db2.gz DZPJWMIDIFDAMA-SMDDNHRTSA-N 1 0 321.377 1.819 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000237449841 186291131 /nfs/dbraw/zinc/29/11/31/186291131.db2.gz UCQXLYMAGQPDMF-ZACCUICWSA-N 1 0 305.334 1.616 20 5 DDBDRO C[N@H+](CCNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)C1CC1 ZINC000063116542 352905624 /nfs/dbraw/zinc/90/56/24/352905624.db2.gz JHXUXSDRPXVHBT-UHFFFAOYSA-N 1 0 302.334 1.900 20 5 DDBDRO Cc1ccc([C@H](CNc2ncc([N+](=O)[O-])c(N)n2)[NH+](C)C)cc1 ZINC000064114117 352930506 /nfs/dbraw/zinc/93/05/06/352930506.db2.gz KWSNGBWKCGUPQH-LBPRGKRZSA-N 1 0 316.365 1.990 20 5 DDBDRO CC(C)C[NH+]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000067785639 353067011 /nfs/dbraw/zinc/06/70/11/353067011.db2.gz YOCZCNRHLMOTES-UHFFFAOYSA-N 1 0 324.356 1.730 20 5 DDBDRO CC(C)C[NH+]1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000067293540 353042916 /nfs/dbraw/zinc/04/29/16/353042916.db2.gz XFSZFDFEWYTHBU-UHFFFAOYSA-N 1 0 320.393 1.807 20 5 DDBDRO CC[N@@H+]1CCC[C@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000069137843 353147317 /nfs/dbraw/zinc/14/73/17/353147317.db2.gz TUBMIAMPHDXFNI-CQSZACIVSA-N 1 0 305.378 1.985 20 5 DDBDRO C[NH+](C)[C@@H](CNc1ncc([N+](=O)[O-])c(N)n1)c1ccccc1 ZINC000074237175 353301889 /nfs/dbraw/zinc/30/18/89/353301889.db2.gz GXODKEKQUJJFEO-NSHDSACASA-N 1 0 302.338 1.682 20 5 DDBDRO CCOC(=O)c1ccnc(N2CCC([NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000077927772 353497844 /nfs/dbraw/zinc/49/78/44/353497844.db2.gz KEKNCOHEMCKXDG-UHFFFAOYSA-N 1 0 322.365 1.697 20 5 DDBDRO CN(C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)[C@H]1CCC[N@H+](C)C1 ZINC000182168394 199397229 /nfs/dbraw/zinc/39/72/29/199397229.db2.gz YXIUUOMAPFVKPA-NSHDSACASA-N 1 0 321.333 1.490 20 5 DDBDRO CCOc1cc(N2CC[NH+](C(C)(C)CO)CC2)ccc1[N+](=O)[O-] ZINC000081017185 353645177 /nfs/dbraw/zinc/64/51/77/353645177.db2.gz LKZGACKDUKQZFP-UHFFFAOYSA-N 1 0 323.393 1.886 20 5 DDBDRO Cc1nn(CCC(=O)N2CC[C@@H]([NH3+])C[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000237389837 354341567 /nfs/dbraw/zinc/34/15/67/354341567.db2.gz XXNPOHHBURCGFE-BXKDBHETSA-N 1 0 309.370 1.136 20 5 DDBDRO O=C1C[C@]2(CC[N@@H+](CCCOc3ccc([N+](=O)[O-])cc3)C2)CN1 ZINC000278830125 354416026 /nfs/dbraw/zinc/41/60/26/354416026.db2.gz IFWVELFHWDNLFG-MRXNPFEDSA-N 1 0 319.361 1.576 20 5 DDBDRO O=[N+]([O-])c1ccc(C[NH2+]CC[C@@]2(O)CCOC2)c(Cl)c1 ZINC000404209093 354674750 /nfs/dbraw/zinc/67/47/50/354674750.db2.gz OXIGVIFBERNODY-CYBMUJFWSA-N 1 0 300.742 1.879 20 5 DDBDRO CCO[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000405331323 354678776 /nfs/dbraw/zinc/67/87/76/354678776.db2.gz GSBKSASXEUKZRF-ZWNOBZJWSA-N 1 0 311.313 1.170 20 5 DDBDRO CC(C)[NH2+][C@H]1CCCN(c2cc(N)c([N+](=O)[O-])c(CO)c2)C1 ZINC000587626438 354883745 /nfs/dbraw/zinc/88/37/45/354883745.db2.gz RJCDXLBFAFEYIO-LBPRGKRZSA-N 1 0 308.382 1.636 20 5 DDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000588838637 354940994 /nfs/dbraw/zinc/94/09/94/354940994.db2.gz XHSOQWCGNKXCOZ-NEPJUHHUSA-N 1 0 309.370 1.029 20 5 DDBDRO C[NH+](C)C[C@@H](CO)Nc1ncc([N+](=O)[O-])cc1Br ZINC000589101775 354959208 /nfs/dbraw/zinc/95/92/08/354959208.db2.gz KMWVYDDKAZIDSM-ZETCQYMHSA-N 1 0 319.159 1.087 20 5 DDBDRO CN(CCC[NH+](C)C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000589191869 354971482 /nfs/dbraw/zinc/97/14/82/354971482.db2.gz OABAXRLPHJIGIA-UHFFFAOYSA-N 1 0 309.366 1.750 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(CN2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)c1 ZINC000590377837 355078362 /nfs/dbraw/zinc/07/83/62/355078362.db2.gz YVXHXVRGULUMKS-TXEJJXNPSA-N 1 0 321.377 1.906 20 5 DDBDRO CCc1nn(C)c(N2CC[C@]3(C2)CCC[N@H+](C)C3)c1[N+](=O)[O-] ZINC000590141912 355053235 /nfs/dbraw/zinc/05/32/35/355053235.db2.gz JDIWNYZSVIIZLW-OAHLLOKOSA-N 1 0 307.398 1.813 20 5 DDBDRO C[N@@H+]1C[C@H]2CCN(C(=O)CSc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000590446354 355099798 /nfs/dbraw/zinc/09/97/98/355099798.db2.gz UTPAZNMRFOSNOL-RISCZKNCSA-N 1 0 321.402 1.849 20 5 DDBDRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000590752473 355165077 /nfs/dbraw/zinc/16/50/77/355165077.db2.gz VJABMKNRGIAASX-MNOVXSKESA-N 1 0 318.333 1.902 20 5 DDBDRO O=C1CC[C@@H]([NH+]2CCN(c3sccc3[N+](=O)[O-])CC2)CCN1 ZINC000590735086 355157724 /nfs/dbraw/zinc/15/77/24/355157724.db2.gz SUODZZHFBPNUMB-LLVKDONJSA-N 1 0 324.406 1.447 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NCC1CC[NH2+]CC1 ZINC000591346261 355293557 /nfs/dbraw/zinc/29/35/57/355293557.db2.gz AIQSDSVPLPSICX-UHFFFAOYSA-N 1 0 322.365 1.402 20 5 DDBDRO [NH3+]C[C@@H]1CCCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000591347073 355294546 /nfs/dbraw/zinc/29/45/46/355294546.db2.gz QHIFMANZZFLGHU-ZDUSSCGKSA-N 1 0 306.366 1.518 20 5 DDBDRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(c2ncc([N+](=O)[O-])cc2F)CC1 ZINC000591446274 355313813 /nfs/dbraw/zinc/31/38/13/355313813.db2.gz YMPOCBYVPNUVPL-KGLIPLIRSA-N 1 0 324.356 1.852 20 5 DDBDRO CC1(C)CN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CC[NH2+]1 ZINC000591583118 355330860 /nfs/dbraw/zinc/33/08/60/355330860.db2.gz ZNFIBRXJGNCPEW-UHFFFAOYSA-N 1 0 321.333 1.190 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1CCC[NH2+]CC1 ZINC000591299366 355283202 /nfs/dbraw/zinc/28/32/02/355283202.db2.gz JPPOZNKJFLVAPP-JTQLQIEISA-N 1 0 308.338 1.867 20 5 DDBDRO Cc1n[nH]cc1C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000591724944 355372214 /nfs/dbraw/zinc/37/22/14/355372214.db2.gz ZKBCMHKJJNSPBF-UHFFFAOYSA-N 1 0 303.322 1.745 20 5 DDBDRO CC1(C)C[NH2+][C@@H]1C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000591675191 355359173 /nfs/dbraw/zinc/35/91/73/355359173.db2.gz XYQDKDBHJZRSAH-CQSZACIVSA-N 1 0 318.377 1.241 20 5 DDBDRO CC[C@@H]1CN(C(=O)COc2cccc([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000592332038 355561260 /nfs/dbraw/zinc/56/12/60/355561260.db2.gz SLVNUTXPHSMRMG-RISCZKNCSA-N 1 0 307.350 1.559 20 5 DDBDRO COc1cc(C(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)cc([N+](=O)[O-])c1C ZINC000592310149 355557240 /nfs/dbraw/zinc/55/72/40/355557240.db2.gz WHUQIZKZFHGGEZ-IINYFYTJSA-N 1 0 323.349 1.100 20 5 DDBDRO C[C@@H]1CC2(C[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CCOCC2 ZINC000592183078 355527502 /nfs/dbraw/zinc/52/75/02/355527502.db2.gz QZAUSFSTTUEVCZ-TZMCWYRMSA-N 1 0 324.381 1.043 20 5 DDBDRO O=[N+]([O-])c1cc2c(cc1CN1CC[C@H]3CC[NH2+][C@H]3C1)OCCO2 ZINC000592432807 355582728 /nfs/dbraw/zinc/58/27/28/355582728.db2.gz UEWICQWKMHJZHH-YPMHNXCESA-N 1 0 319.361 1.550 20 5 DDBDRO O=C(N[C@@H]1CC[NH2+]C1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000592465885 355591405 /nfs/dbraw/zinc/59/14/05/355591405.db2.gz SIMAKZZSTDIDFF-CYBMUJFWSA-N 1 0 318.377 1.289 20 5 DDBDRO O=C(c1ccc([N+](=O)[O-])s1)N1CCN(C[C@H]2CC[NH2+]C2)CC1 ZINC000592477984 355594632 /nfs/dbraw/zinc/59/46/32/355594632.db2.gz PPKMEICQBHKEIS-NSHDSACASA-N 1 0 324.406 1.024 20 5 DDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC(C)([NH3+])CC1 ZINC000592485714 355596371 /nfs/dbraw/zinc/59/63/71/355596371.db2.gz VRVCRQZHHMCIGI-LLVKDONJSA-N 1 0 306.366 1.735 20 5 DDBDRO [NH3+]CCN(C[C@H]1CNc2ccnn2C1)c1ccccc1[N+](=O)[O-] ZINC000592512623 355608117 /nfs/dbraw/zinc/60/81/17/355608117.db2.gz NYRFKEJRJFLWLC-GFCCVEGCSA-N 1 0 316.365 1.298 20 5 DDBDRO [NH3+][C@H]1C[C@@H](NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000592382301 355570998 /nfs/dbraw/zinc/57/09/98/355570998.db2.gz LIOFZKPWRHZSND-OCAPTIKFSA-N 1 0 305.743 1.016 20 5 DDBDRO COc1cc(CN(C)CCC[NH3+])c([N+](=O)[O-])cc1OC(F)F ZINC000592427727 355580425 /nfs/dbraw/zinc/58/04/25/355580425.db2.gz VKBBBAQOYYZSCT-UHFFFAOYSA-N 1 0 319.308 1.985 20 5 DDBDRO C[C@@H]1CN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@H]1C[NH3+] ZINC000601326082 358497503 /nfs/dbraw/zinc/49/75/03/358497503.db2.gz JGWXBDCVZXZSRA-LALPHHSUSA-N 1 0 318.377 1.227 20 5 DDBDRO CC[C@H]1CN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC[C@@H]1[NH3+] ZINC000592545818 355623195 /nfs/dbraw/zinc/62/31/95/355623195.db2.gz XUVXVRKKZKUZEJ-JQWIXIFHSA-N 1 0 309.370 1.112 20 5 DDBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593392999 355871386 /nfs/dbraw/zinc/87/13/86/355871386.db2.gz XNIDTGJGLDMQFM-ZDUSSCGKSA-N 1 0 309.341 1.877 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CC([N@@H+]3CC[C@@H](O)C3)C2)c2ncccc12 ZINC000593507855 355908325 /nfs/dbraw/zinc/90/83/25/355908325.db2.gz NMQWAGLCNFKZPB-GFCCVEGCSA-N 1 0 314.345 1.398 20 5 DDBDRO COc1cc(C(=O)NCCC2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000593918434 356060301 /nfs/dbraw/zinc/06/03/01/356060301.db2.gz DKJVEWHIDHUOLD-UHFFFAOYSA-N 1 0 307.350 1.723 20 5 DDBDRO CN(C(=O)CN[C@]12CCC[C@@H]1C[NH2+]C2)c1ccc([N+](=O)[O-])cc1 ZINC000601328700 358499715 /nfs/dbraw/zinc/49/97/15/358499715.db2.gz WIZQOCDSKWHKMQ-WBMJQRKESA-N 1 0 318.377 1.289 20 5 DDBDRO O=C(CN1C[C@@H]2C[C@H]1C[NH2+]2)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000601327478 358499931 /nfs/dbraw/zinc/49/99/31/358499931.db2.gz SCLKRNXUGSUUEE-UWVGGRQHSA-N 1 0 310.741 1.233 20 5 DDBDRO O=C(CCn1cc([N+](=O)[O-])cn1)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594198110 356137114 /nfs/dbraw/zinc/13/71/14/356137114.db2.gz CXFPOGWXZNSHNF-KGLIPLIRSA-N 1 0 321.381 1.315 20 5 DDBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000594434297 356211440 /nfs/dbraw/zinc/21/14/40/356211440.db2.gz MVKYITNWFCTLIL-GOEBONIOSA-N 1 0 319.361 1.480 20 5 DDBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC000594489824 356236191 /nfs/dbraw/zinc/23/61/91/356236191.db2.gz FDZWDKHFPJWBPJ-GXFFZTMASA-N 1 0 310.375 1.606 20 5 DDBDRO CCC(C)(C)[NH+]1CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000594389811 356193807 /nfs/dbraw/zinc/19/38/07/356193807.db2.gz NWEPWZDFXWFLRM-UHFFFAOYSA-N 1 0 322.365 1.642 20 5 DDBDRO [NH3+][C@@H](c1cn(-c2ccc(O)cc2[N+](=O)[O-])nn1)[C@@H]1CCCO1 ZINC000594651973 356275389 /nfs/dbraw/zinc/27/53/89/356275389.db2.gz GYXWVKJXKJFJKB-STQMWFEESA-N 1 0 305.294 1.060 20 5 DDBDRO O=[N+]([O-])c1ccccc1CC[NH2+]C1CCN([C@@H]2CCOC2)CC1 ZINC000594496596 356237705 /nfs/dbraw/zinc/23/77/05/356237705.db2.gz PDUBKMGDSPZHMV-MRXNPFEDSA-N 1 0 319.405 1.980 20 5 DDBDRO C[C@H]([NH2+][C@H]1CCc2c(nnn2C)C1)c1cccc([N+](=O)[O-])c1 ZINC000594522375 356241813 /nfs/dbraw/zinc/24/18/13/356241813.db2.gz QNQZKFBIAZAKRJ-JQWIXIFHSA-N 1 0 301.350 1.931 20 5 DDBDRO COc1cccc([N+](=O)[O-])c1N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000594548818 356248069 /nfs/dbraw/zinc/24/80/69/356248069.db2.gz HOMGAARDYQLDQT-OCCSQVGLSA-N 1 0 321.377 1.639 20 5 DDBDRO CC(C)[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000594731223 356299977 /nfs/dbraw/zinc/29/99/77/356299977.db2.gz GUAJIIITSFZYDI-LBPRGKRZSA-N 1 0 319.365 1.554 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCN1CCOC[C@@H]1C ZINC000595014363 356372215 /nfs/dbraw/zinc/37/22/15/356372215.db2.gz UZQSVCQCXNYJJO-QWHCGFSZSA-N 1 0 323.393 1.975 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@]1(O)CC[N@H+](C)C1 ZINC000595032294 356374393 /nfs/dbraw/zinc/37/43/93/356374393.db2.gz MCVGCLPUDOIYEC-XHDPSFHLSA-N 1 0 309.366 1.321 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H](CO)[C@@H]1CCOC1 ZINC000595055151 356377311 /nfs/dbraw/zinc/37/73/11/356377311.db2.gz UCFYIRKTLJWLEM-XQQFMLRXSA-N 1 0 324.377 1.899 20 5 DDBDRO [NH3+]CC12CC(C1)CN2C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000595263387 356425509 /nfs/dbraw/zinc/42/55/09/356425509.db2.gz AHWUQEPSSOJUNI-UHFFFAOYSA-N 1 0 304.350 1.270 20 5 DDBDRO C[NH2+]C[C@H](C)NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000595274811 356429028 /nfs/dbraw/zinc/42/90/28/356429028.db2.gz AFOYBOJJCTWCFF-NSHDSACASA-N 1 0 306.366 1.877 20 5 DDBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@@H](Cn3ccnn3)C2)cc1 ZINC000595608710 356574975 /nfs/dbraw/zinc/57/49/75/356574975.db2.gz UJQLQTQYOJDKOQ-CQSZACIVSA-N 1 0 301.350 1.751 20 5 DDBDRO CCOc1ccc(C(=O)N[C@@](C)(C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000236909627 202066169 /nfs/dbraw/zinc/06/61/69/202066169.db2.gz XAOPQIWZLSWXSB-HNNXBMFYSA-N 1 0 307.350 1.851 20 5 DDBDRO C[C@@H]1C[NH+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H](C)C1O ZINC000595745443 356632181 /nfs/dbraw/zinc/63/21/81/356632181.db2.gz TYLNYHFXEJEEMN-NXEZZACHSA-N 1 0 307.350 1.142 20 5 DDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]([NH3+])C2)cc1OC ZINC000237050221 202136362 /nfs/dbraw/zinc/13/63/62/202136362.db2.gz YJYUDEWCTSLOGK-VIFPVBQESA-N 1 0 309.322 1.175 20 5 DDBDRO CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000237052374 202136664 /nfs/dbraw/zinc/13/66/64/202136664.db2.gz JKSBZNFYNNBZHD-SWLSCSKDSA-N 1 0 320.393 1.617 20 5 DDBDRO NC(=O)c1ccc(C[N@@H+]2CC[C@@H]3COC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000595828451 356666822 /nfs/dbraw/zinc/66/68/22/356666822.db2.gz FASTVKPTQAMWQI-CHWSQXEVSA-N 1 0 305.334 1.162 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2C[C@@H](C)[C@@](C)(CO)C2)c1 ZINC000595860917 356681224 /nfs/dbraw/zinc/68/12/24/356681224.db2.gz NBEQAVFLSDIWMR-BDJLRTHQSA-N 1 0 322.361 1.832 20 5 DDBDRO COc1ccc(OCC[N@@H+]2C[C@H](C)[C@](C)(CO)C2)c([N+](=O)[O-])c1 ZINC000595872663 356686850 /nfs/dbraw/zinc/68/68/50/356686850.db2.gz KLOYHUHEBMQXKW-LRDDRELGSA-N 1 0 324.377 1.933 20 5 DDBDRO [NH3+]C[C@@H]1CCc2ccccc2N1CCn1cc([N+](=O)[O-])cn1 ZINC000595902654 356699310 /nfs/dbraw/zinc/69/93/10/356699310.db2.gz DBPODZWPJUBTDG-ZDUSSCGKSA-N 1 0 301.350 1.571 20 5 DDBDRO [NH3+]C1(CNC(=O)CCNc2ccccc2[N+](=O)[O-])CCCC1 ZINC000595940381 356715084 /nfs/dbraw/zinc/71/50/84/356715084.db2.gz DPJRSKMIDMZRBK-UHFFFAOYSA-N 1 0 306.366 1.785 20 5 DDBDRO [NH3+][C@H]1C[C@H](C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000595940400 356715090 /nfs/dbraw/zinc/71/50/90/356715090.db2.gz QFBFPKFVOCILLL-HAQNSBGRSA-N 1 0 319.361 1.702 20 5 DDBDRO NC(=O)c1cc(NCC[NH+]2CCCCCC2)ccc1[N+](=O)[O-] ZINC000596074016 356762644 /nfs/dbraw/zinc/76/26/44/356762644.db2.gz PSBBZJTXTYTMTG-UHFFFAOYSA-N 1 0 306.366 1.982 20 5 DDBDRO COc1cc(CNCC23CC(C2)C[NH2+]3)c([N+](=O)[O-])cc1OC ZINC000596100760 356771786 /nfs/dbraw/zinc/77/17/86/356771786.db2.gz BZPRFULVWLXZED-UHFFFAOYSA-N 1 0 307.350 1.454 20 5 DDBDRO C[NH+]1CCC([C@H]2CCN(c3cc[nH]c(=O)c3[N+](=O)[O-])C2)CC1 ZINC000596173832 356801791 /nfs/dbraw/zinc/80/17/91/356801791.db2.gz AJZHOTLLDBTPCO-LBPRGKRZSA-N 1 0 306.366 1.864 20 5 DDBDRO NC(=O)c1cc(N2CCC[C@@H]2C[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000596200702 356811873 /nfs/dbraw/zinc/81/18/73/356811873.db2.gz ROKGRPUDXADYES-CYBMUJFWSA-N 1 0 318.377 1.758 20 5 DDBDRO O=[N+]([O-])c1cc(F)ccc1N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000596537466 356910343 /nfs/dbraw/zinc/91/03/43/356910343.db2.gz GRLYCYZYOPBORJ-CYBMUJFWSA-N 1 0 309.341 1.769 20 5 DDBDRO COc1cc(C[N@H+](C)C2(CO)CCC2)c([N+](=O)[O-])cc1OC ZINC000597254282 357110632 /nfs/dbraw/zinc/11/06/32/357110632.db2.gz IAJBQXJEPHVGHN-UHFFFAOYSA-N 1 0 310.350 1.959 20 5 DDBDRO C[C@@H](C(=O)N(C)CC1C[NH+](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000598162142 357478815 /nfs/dbraw/zinc/47/88/15/357478815.db2.gz VYVZFZSSSDZLPY-SNVBAGLBSA-N 1 0 309.341 1.857 20 5 DDBDRO CN(CC1C[NH+](C)C1)C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000598164671 357479648 /nfs/dbraw/zinc/47/96/48/357479648.db2.gz UGSUBUOFYGTFIQ-UHFFFAOYSA-N 1 0 303.318 1.975 20 5 DDBDRO COC(=O)c1ccnc(NC[C@@H](C2CC2)[NH+](C)C)c1[N+](=O)[O-] ZINC000598594949 357646250 /nfs/dbraw/zinc/64/62/50/357646250.db2.gz OVQGDYDBZVKWKJ-NSHDSACASA-N 1 0 308.338 1.529 20 5 DDBDRO C[C@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H]1CO ZINC000598646910 357668780 /nfs/dbraw/zinc/66/87/80/357668780.db2.gz AVPAXNZJYHFJBK-GXFFZTMASA-N 1 0 307.350 1.144 20 5 DDBDRO Cc1ccc(S(=O)(=O)NCC[NH2+]C2CC2)c(C)c1[N+](=O)[O-] ZINC000598716266 357701689 /nfs/dbraw/zinc/70/16/89/357701689.db2.gz FZBOHCDMWDJWCC-UHFFFAOYSA-N 1 0 313.379 1.242 20 5 DDBDRO COc1cc(OCC(=O)NC2CC([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000598716502 357701926 /nfs/dbraw/zinc/70/19/26/357701926.db2.gz JQHSPLMYPLJTEK-UHFFFAOYSA-N 1 0 323.349 1.191 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CC[C@@H]1CC1(F)F ZINC000598729949 357706791 /nfs/dbraw/zinc/70/67/91/357706791.db2.gz PASXPYCMHQIIRB-GHMZBOCLSA-N 1 0 316.304 1.969 20 5 DDBDRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598915380 357757355 /nfs/dbraw/zinc/75/73/55/357757355.db2.gz KYPMEZBDTJHGNT-GXFFZTMASA-N 1 0 320.349 1.167 20 5 DDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@H](O)[C@H]2CCCO2)n1 ZINC000599064045 357805744 /nfs/dbraw/zinc/80/57/44/357805744.db2.gz BFNPKVXWWVXNQA-RFQIPJPRSA-N 1 0 324.381 1.405 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC1(C[NH3+])CCOCC1 ZINC000599605520 357990695 /nfs/dbraw/zinc/99/06/95/357990695.db2.gz YRGHHAKIHDMEGF-UHFFFAOYSA-N 1 0 308.338 1.533 20 5 DDBDRO C[NH+](C)C1CN(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)C1 ZINC000599832623 358068099 /nfs/dbraw/zinc/06/80/99/358068099.db2.gz GPBACAVIRJGNSN-UHFFFAOYSA-N 1 0 315.333 1.921 20 5 DDBDRO C[C@H]1CC[C@H](NC(=O)NCCc2ccc([N+](=O)[O-])cc2)C[NH2+]1 ZINC000599906720 358078012 /nfs/dbraw/zinc/07/80/12/358078012.db2.gz HQXFRPOZGMHGHL-AAEUAGOBSA-N 1 0 306.366 1.577 20 5 DDBDRO Cc1c(CC(=O)N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)cccc1[N+](=O)[O-] ZINC000600000006 358100121 /nfs/dbraw/zinc/10/01/21/358100121.db2.gz JHBWKBHKXWTLES-VIKVFOODSA-N 1 0 303.362 1.464 20 5 DDBDRO C[N@@H+]1CCCC[C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000600315468 358194579 /nfs/dbraw/zinc/19/45/79/358194579.db2.gz TVRDUTYDWMIBLM-NSHDSACASA-N 1 0 306.366 1.639 20 5 DDBDRO CCN(CC[NH3+])CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000600717863 358293491 /nfs/dbraw/zinc/29/34/91/358293491.db2.gz SSEYIIIQCOXSCB-UHFFFAOYSA-N 1 0 310.354 1.213 20 5 DDBDRO C[C@H]([NH3+])CCC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000237411972 202257994 /nfs/dbraw/zinc/25/79/94/202257994.db2.gz CGZMYPURKKWIJK-LBPRGKRZSA-N 1 0 306.366 1.371 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000600693791 358285082 /nfs/dbraw/zinc/28/50/82/358285082.db2.gz RQLGJUXIEXLIDA-NSHDSACASA-N 1 0 307.350 1.818 20 5 DDBDRO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CCC[C@H]1C[NH+](C)C ZINC000601127428 358413285 /nfs/dbraw/zinc/41/32/85/358413285.db2.gz GHIOEKZEXONZKA-QMMMGPOBSA-N 1 0 321.303 1.878 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000601557353 358599840 /nfs/dbraw/zinc/59/98/40/358599840.db2.gz OEDOFPLLUMYGJV-FZMZJTMJSA-N 1 0 304.350 1.512 20 5 DDBDRO CC(C)(C[NH+]1CCOCC1)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000602073428 358801765 /nfs/dbraw/zinc/80/17/65/358801765.db2.gz LYSYWKNCJWYSSU-UHFFFAOYSA-N 1 0 321.377 1.569 20 5 DDBDRO [NH3+]C[C@@H]1CCN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC000602427411 358969116 /nfs/dbraw/zinc/96/91/16/358969116.db2.gz HATXWTOMBDWLBT-LBPRGKRZSA-N 1 0 303.362 1.824 20 5 DDBDRO CO[C@@H]1C[NH2+][C@](C)(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000602442787 358979239 /nfs/dbraw/zinc/97/92/39/358979239.db2.gz NHAXELLGLQSSOP-XEGUGMAKSA-N 1 0 307.350 1.539 20 5 DDBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N(C)CCOCC[NH3+])c1 ZINC000602554327 359042635 /nfs/dbraw/zinc/04/26/35/359042635.db2.gz GPOZRTSDIHDWPX-UHFFFAOYSA-N 1 0 313.379 1.364 20 5 DDBDRO C[C@@H](CC(N)=O)[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602569167 359048357 /nfs/dbraw/zinc/04/83/57/359048357.db2.gz OJQRJYMYGKXXFZ-ZETCQYMHSA-N 1 0 305.256 1.967 20 5 DDBDRO C[C@@H](NC(=O)c1c(Br)cccc1[N+](=O)[O-])[C@H](C)[NH3+] ZINC000602496817 359014498 /nfs/dbraw/zinc/01/44/98/359014498.db2.gz VQNITIRGCIRWMU-NKWVEPMBSA-N 1 0 316.155 1.823 20 5 DDBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000602598111 359063107 /nfs/dbraw/zinc/06/31/07/359063107.db2.gz BLKYIMWQGIRACK-SCVCMEIPSA-N 1 0 307.375 1.648 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@H](N2CCCC2=O)C1 ZINC000602780653 359186304 /nfs/dbraw/zinc/18/63/04/359186304.db2.gz BHBWLTQHYLKEFO-ZDUSSCGKSA-N 1 0 321.381 1.187 20 5 DDBDRO NC(=O)[C@H]1C[C@H]([NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602724534 359149870 /nfs/dbraw/zinc/14/98/70/359149870.db2.gz VIBGKABKAOMSLC-CZMCAQCFSA-N 1 0 317.267 1.967 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCCc2c(cnn2C)C1 ZINC000602841042 359229863 /nfs/dbraw/zinc/22/98/63/359229863.db2.gz QLKRTDMUCPJKRR-UHFFFAOYSA-N 1 0 304.354 1.282 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@H](c2cccnc2)C1 ZINC000602851496 359238351 /nfs/dbraw/zinc/23/83/51/359238351.db2.gz KRRFVMFIYYBNJR-AWEZNQCLSA-N 1 0 301.350 1.984 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000602796887 359198808 /nfs/dbraw/zinc/19/88/08/359198808.db2.gz ALCHBFJFLALGSF-UONOGXRCSA-N 1 0 308.382 1.848 20 5 DDBDRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000237425197 202262883 /nfs/dbraw/zinc/26/28/83/202262883.db2.gz WZBHDTLKYRKQTK-RYUDHWBXSA-N 1 0 307.350 1.702 20 5 DDBDRO C[C@]12C[N@H+](Cc3c(F)cccc3[N+](=O)[O-])C[C@@]1(C)C(=O)NC2=O ZINC000602934739 359304277 /nfs/dbraw/zinc/30/42/77/359304277.db2.gz JHJRYDDKHIYJOY-GASCZTMLSA-N 1 0 321.308 1.219 20 5 DDBDRO CN(CCCC[NH+]1CCCCC1)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000603406547 359622005 /nfs/dbraw/zinc/62/20/05/359622005.db2.gz JYZRQUNCAOJCEJ-UHFFFAOYSA-N 1 0 323.397 1.666 20 5 DDBDRO COCC(=O)NC1CC[NH+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000603882499 359692028 /nfs/dbraw/zinc/69/20/28/359692028.db2.gz SCQAWYLRDUWMGW-LBPRGKRZSA-N 1 0 321.377 1.883 20 5 DDBDRO C[C@H]1CC[C@](CO)([N@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000187982218 200186655 /nfs/dbraw/zinc/18/66/55/200186655.db2.gz VYNUQHZYQBGADJ-ZBEGNZNMSA-N 1 0 321.377 1.677 20 5 DDBDRO C[C@@H](NC(=O)Cc1ccccc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000604552482 359765316 /nfs/dbraw/zinc/76/53/16/359765316.db2.gz QTBWPCJYDURCFP-GFCCVEGCSA-N 1 0 305.378 1.984 20 5 DDBDRO [NH3+]CCCOC1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000237821668 202362827 /nfs/dbraw/zinc/36/28/27/202362827.db2.gz AUOVEJGDOSNJRV-UHFFFAOYSA-N 1 0 321.377 1.494 20 5 DDBDRO Cc1nn(CCC(=O)N2CCCC[C@H]2C[NH3+])c(C)c1[N+](=O)[O-] ZINC000237871379 202375240 /nfs/dbraw/zinc/37/52/40/202375240.db2.gz JSCSTDKUGDXVTN-LBPRGKRZSA-N 1 0 309.370 1.138 20 5 DDBDRO O=C([C@@H]1CC12CC[NH2+]CC2)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000237933625 202396246 /nfs/dbraw/zinc/39/62/46/202396246.db2.gz UXRBHYHZHQGSJU-HNNXBMFYSA-N 1 0 315.373 1.869 20 5 DDBDRO COc1ccc(CN2CC[NH+](C[C@@H](C)O)CC2)cc1[N+](=O)[O-] ZINC000189339345 200384085 /nfs/dbraw/zinc/38/40/85/200384085.db2.gz NOVYXZIADHOLQW-GFCCVEGCSA-N 1 0 309.366 1.102 20 5 DDBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@H]2CNc3ccnn3C2)cc1 ZINC000609406655 360304720 /nfs/dbraw/zinc/30/47/20/360304720.db2.gz DVEBYBRNIXCDRO-ZDUSSCGKSA-N 1 0 301.350 1.665 20 5 DDBDRO CC[N@@H+]1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@@H]1C ZINC000611091852 360620923 /nfs/dbraw/zinc/62/09/23/360620923.db2.gz AFNPTAZZDAAUEG-LBPRGKRZSA-N 1 0 321.377 1.987 20 5 DDBDRO CO[C@H]1CCCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611258806 360681589 /nfs/dbraw/zinc/68/15/89/360681589.db2.gz OOSOTWZSHYFJNR-LBPRGKRZSA-N 1 0 308.334 1.977 20 5 DDBDRO CC[N@@H+]1CCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@H]1C ZINC000611271193 360685933 /nfs/dbraw/zinc/68/59/33/360685933.db2.gz UQVLJTFLXLWSBS-GFCCVEGCSA-N 1 0 321.377 1.892 20 5 DDBDRO C[NH+](C)CC1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000611239837 360675667 /nfs/dbraw/zinc/67/56/67/360675667.db2.gz BLTZQKPWDKVQHJ-UHFFFAOYSA-N 1 0 304.354 1.416 20 5 DDBDRO C[C@@H](NC(=O)Nc1ccncc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000611598290 360774001 /nfs/dbraw/zinc/77/40/01/360774001.db2.gz NSVJZWCCITWNLY-SNVBAGLBSA-N 1 0 307.354 1.264 20 5 DDBDRO Cc1noc(C)c1[C@@H](C)[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000612461830 361029531 /nfs/dbraw/zinc/02/95/31/361029531.db2.gz IPCHXQZUDKCPTK-SECBINFHSA-N 1 0 306.322 1.712 20 5 DDBDRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000618923667 363803710 /nfs/dbraw/zinc/80/37/10/363803710.db2.gz KAHYGGIRGQZZON-HNNXBMFYSA-N 1 0 307.350 1.124 20 5 DDBDRO Cn1nnnc1CC[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000618985528 363828076 /nfs/dbraw/zinc/82/80/76/363828076.db2.gz GIWWUHSIMRWKNW-CYBMUJFWSA-N 1 0 316.365 1.673 20 5 DDBDRO CC(C)[C@H](O)CC[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000566234902 304131276 /nfs/dbraw/zinc/13/12/76/304131276.db2.gz UMJYJGCOXJDPFQ-UKRRQHHQSA-N 1 0 312.366 1.331 20 5 DDBDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000349876667 284090347 /nfs/dbraw/zinc/09/03/47/284090347.db2.gz RERGZJGAGNXRDF-LLVKDONJSA-N 1 0 309.370 1.702 20 5 DDBDRO Cc1c(C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)cccc1[N+](=O)[O-] ZINC000261607559 203079592 /nfs/dbraw/zinc/07/95/92/203079592.db2.gz AQAUBPZJKBDMOB-CYBMUJFWSA-N 1 0 318.377 1.023 20 5 DDBDRO Nc1c(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)cc(F)cc1[N+](=O)[O-] ZINC000264667574 204064499 /nfs/dbraw/zinc/06/44/99/204064499.db2.gz VMABBIJFNMVYTN-SECBINFHSA-N 1 0 322.340 1.530 20 5 DDBDRO C[C@@H](O)C1CC[NH+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000264762863 204139056 /nfs/dbraw/zinc/13/90/56/204139056.db2.gz YOFSFVUVQPENKP-SNVBAGLBSA-N 1 0 307.350 1.287 20 5 DDBDRO CC[NH+]1CCC(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000014096759 181925568 /nfs/dbraw/zinc/92/55/68/181925568.db2.gz CVCXVRGIZWHHBI-UHFFFAOYSA-N 1 0 313.379 1.357 20 5 DDBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000288473182 220165123 /nfs/dbraw/zinc/16/51/23/220165123.db2.gz QNGMAAAPGGREKA-AAEUAGOBSA-N 1 0 318.377 1.876 20 5 DDBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000288473190 220165423 /nfs/dbraw/zinc/16/54/23/220165423.db2.gz QNGMAAAPGGREKA-YPMHNXCESA-N 1 0 318.377 1.876 20 5 DDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@@H](CO)C[NH+]1CCCCC1 ZINC000288516171 220194267 /nfs/dbraw/zinc/19/42/67/220194267.db2.gz NJFIDXDZWJSVRG-CQSZACIVSA-N 1 0 321.377 1.100 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C[NH3+])CC1 ZINC000036296802 248185195 /nfs/dbraw/zinc/18/51/95/248185195.db2.gz AGMNUVBENSXCJF-UHFFFAOYSA-N 1 0 313.379 1.263 20 5 DDBDRO C[C@H](CNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-])C[NH+](C)C ZINC000336848634 249255203 /nfs/dbraw/zinc/25/52/03/249255203.db2.gz LSGRAKIENYLLLL-SNVBAGLBSA-N 1 0 315.395 1.608 20 5 DDBDRO CCCN(CCn1cc([N+](=O)[O-])ccc1=O)CC[NH+](CC)CC ZINC000274243062 211450224 /nfs/dbraw/zinc/45/02/24/211450224.db2.gz YDRJMTQEUBVMOD-UHFFFAOYSA-N 1 0 324.425 1.810 20 5 DDBDRO C[NH+](C)[C@@H]1CCCN(C(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000103945146 193967202 /nfs/dbraw/zinc/96/72/02/193967202.db2.gz WTAUDDRPJIKSRN-GFCCVEGCSA-N 1 0 306.366 1.559 20 5 DDBDRO [NH3+]C[C@H]1c2ccccc2CCN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000567354082 304214321 /nfs/dbraw/zinc/21/43/21/304214321.db2.gz WLECINZEOHOZEZ-ZDUSSCGKSA-N 1 0 300.318 1.621 20 5 DDBDRO COCCCNC(=O)[C@H](C)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000338383397 249937813 /nfs/dbraw/zinc/93/78/13/249937813.db2.gz RGMVDNZMULMPLJ-ZDUSSCGKSA-N 1 0 323.393 1.610 20 5 DDBDRO CC(C)C[NH+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000104864446 194047045 /nfs/dbraw/zinc/04/70/45/194047045.db2.gz OJFXZSLVGLEEOI-UHFFFAOYSA-N 1 0 305.378 1.938 20 5 DDBDRO COc1cc(C[N@H+](CCOCCO)C(C)C)ccc1[N+](=O)[O-] ZINC000338590856 250044981 /nfs/dbraw/zinc/04/49/81/250044981.db2.gz FOQRXVIFCADKKO-UHFFFAOYSA-N 1 0 312.366 1.823 20 5 DDBDRO C[C@H]1C[C@H](O)C[N@@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000340921167 251277534 /nfs/dbraw/zinc/27/75/34/251277534.db2.gz XLEBANITEIXGNR-JQWIXIFHSA-N 1 0 321.333 1.348 20 5 DDBDRO [NH3+][C@@H]1CCCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000158212313 197253319 /nfs/dbraw/zinc/25/33/19/197253319.db2.gz GOZZVPXKNSKGNT-GFCCVEGCSA-N 1 0 315.333 1.344 20 5 DDBDRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000341068135 251365795 /nfs/dbraw/zinc/36/57/95/251365795.db2.gz YCTMWNUAEPMJRT-RYUDHWBXSA-N 1 0 309.370 1.170 20 5 DDBDRO C[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1N)[C@@H]1CCC[NH2+]C1 ZINC000269171096 207292549 /nfs/dbraw/zinc/29/25/49/207292549.db2.gz FMKCBZDZWLCABT-RKDXNWHRSA-N 1 0 310.329 1.434 20 5 DDBDRO Cc1c(NC(=O)CC[N@H+](CCO)CC2CC2)cccc1[N+](=O)[O-] ZINC000352467717 285072064 /nfs/dbraw/zinc/07/20/64/285072064.db2.gz NAEDKTIKRMRDQN-UHFFFAOYSA-N 1 0 321.377 1.936 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC=C(C(F)(F)F)CC2)c1 ZINC000270158589 208218301 /nfs/dbraw/zinc/21/83/01/208218301.db2.gz ICQMSCSCKCBVID-LLVKDONJSA-N 1 0 320.271 1.347 20 5 DDBDRO O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CC[C@]2(CC[NH2+]C2)C1 ZINC000158626892 197290030 /nfs/dbraw/zinc/29/00/30/197290030.db2.gz KMUJPDVMCNQZBY-JFDDCEBESA-N 1 0 301.346 1.820 20 5 DDBDRO COC(=O)[C@]1(C)CC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000352546495 285131344 /nfs/dbraw/zinc/13/13/44/285131344.db2.gz WCQCUGSKJXQUIW-OAHLLOKOSA-N 1 0 308.334 1.988 20 5 DDBDRO CCOC(=O)c1cc(C(=O)N2CC([NH+](C)C)C2)cc([N+](=O)[O-])c1 ZINC000158400419 197269219 /nfs/dbraw/zinc/26/92/19/197269219.db2.gz VNBMIOYWVWCSMR-UHFFFAOYSA-N 1 0 321.333 1.158 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000430965996 533138543 /nfs/dbraw/zinc/13/85/43/533138543.db2.gz NGYLWXRNNMJBQK-QWRGUYRKSA-N 1 0 322.365 1.224 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000430927410 533138139 /nfs/dbraw/zinc/13/81/39/533138139.db2.gz QKVINQKTRMKWJZ-JQWIXIFHSA-N 1 0 322.365 1.211 20 5 DDBDRO C[C@@H]1CCCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])[C@H]1C[NH3+] ZINC000252182977 296399422 /nfs/dbraw/zinc/39/94/22/296399422.db2.gz QIGRYEMXKVRTBS-PWSUYJOCSA-N 1 0 313.379 1.343 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCCC2(CCOCC2)C1 ZINC000270613916 285221274 /nfs/dbraw/zinc/22/12/74/285221274.db2.gz ZXSKSFPVXZMHFH-UHFFFAOYSA-N 1 0 321.377 1.649 20 5 DDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCC[N@H+](C)C1CC1 ZINC000352741082 285268403 /nfs/dbraw/zinc/26/84/03/285268403.db2.gz VRLZVCBUIMTQJZ-UHFFFAOYSA-N 1 0 306.366 1.830 20 5 DDBDRO Cc1n[nH]c(C(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000352820993 285320772 /nfs/dbraw/zinc/32/07/72/285320772.db2.gz RPDFTKVLHXIVLU-NXEZZACHSA-N 1 0 309.370 1.477 20 5 DDBDRO CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000289900269 221302234 /nfs/dbraw/zinc/30/22/34/221302234.db2.gz JDDQFQOLHVQMNS-LSDHHAIUSA-N 1 0 305.378 1.888 20 5 DDBDRO CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000289900267 221302764 /nfs/dbraw/zinc/30/27/64/221302764.db2.gz JDDQFQOLHVQMNS-HUUCEWRRSA-N 1 0 305.378 1.888 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[NH2+][C@@H](C)C1 ZINC000420335652 533224223 /nfs/dbraw/zinc/22/42/23/533224223.db2.gz KSRAWACZSXAEOP-NSHDSACASA-N 1 0 322.365 1.226 20 5 DDBDRO Nc1ccc(C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)cc1[N+](=O)[O-] ZINC000290222646 221501260 /nfs/dbraw/zinc/50/12/60/221501260.db2.gz TWPCBPIFWJMWON-CYBMUJFWSA-N 1 0 318.377 1.639 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NC1(C[NH3+])CCCC1 ZINC000414648761 224367707 /nfs/dbraw/zinc/36/77/07/224367707.db2.gz BJVYLDXOCWQHIR-UHFFFAOYSA-N 1 0 308.338 1.996 20 5 DDBDRO COCC[N@H+](C)CCCNC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000122022324 195392247 /nfs/dbraw/zinc/39/22/47/195392247.db2.gz NSSGADMKGDNZRH-UHFFFAOYSA-N 1 0 309.366 1.601 20 5 DDBDRO COc1cccc(C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)c1[N+](=O)[O-] ZINC000444366718 533415336 /nfs/dbraw/zinc/41/53/36/533415336.db2.gz YBHCDAWBFGPAFJ-LLVKDONJSA-N 1 0 319.361 1.984 20 5 DDBDRO C[C@@H]([NH2+][C@@H]1COCC1(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000451815384 533527959 /nfs/dbraw/zinc/52/79/59/533527959.db2.gz ZMYBXVMIIKNOKV-ZWNOBZJWSA-N 1 0 307.350 1.936 20 5 DDBDRO COc1ccc(CNC(=O)N[C@H]2C[NH2+]CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000417177108 533633767 /nfs/dbraw/zinc/63/37/67/533633767.db2.gz CQNKBYYLXUNGBK-JQWIXIFHSA-N 1 0 322.365 1.401 20 5 DDBDRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000568966432 304324800 /nfs/dbraw/zinc/32/48/00/304324800.db2.gz ODXMDHVWQTWLDR-BXUZGUMPSA-N 1 0 318.377 1.661 20 5 DDBDRO CC(C)[C@H]([NH3+])CNC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000569203075 304341334 /nfs/dbraw/zinc/34/13/34/304341334.db2.gz KHOQQOYAPIIEHB-CYBMUJFWSA-N 1 0 310.354 1.256 20 5 DDBDRO CCn1c(C)nc([N+](=O)[O-])c1NCC1([NH+](C)C)CCOCC1 ZINC000360908961 306990940 /nfs/dbraw/zinc/99/09/40/306990940.db2.gz ALJHYHUVGBYGGU-UHFFFAOYSA-N 1 0 311.386 1.642 20 5 DDBDRO CC[NH+]1CCN(CCC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000068127849 406618062 /nfs/dbraw/zinc/61/80/62/406618062.db2.gz PXQVEQBGPKIUSP-UHFFFAOYSA-N 1 0 306.366 1.561 20 5 DDBDRO C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)COc1ccc([N+](=O)[O-])cc1)C2 ZINC000073993006 406900050 /nfs/dbraw/zinc/90/00/50/406900050.db2.gz USSRZZIUZHQKMZ-GXTWGEPZSA-N 1 0 319.361 1.669 20 5 DDBDRO CC[C@H]([NH2+]CCNS(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000036721147 406982566 /nfs/dbraw/zinc/98/25/66/406982566.db2.gz ZNKZPGWBIOLSSM-LBPRGKRZSA-N 1 0 301.368 1.185 20 5 DDBDRO Cc1nn(C)c(NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000051649966 407142995 /nfs/dbraw/zinc/14/29/95/407142995.db2.gz SVILUDKIEIQYDL-PHIMTYICSA-N 1 0 311.386 1.548 20 5 DDBDRO CCNC(=O)C[N@H+](CC)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000055901130 407207843 /nfs/dbraw/zinc/20/78/43/407207843.db2.gz NAZPSFBTOTYNKP-UHFFFAOYSA-N 1 0 309.366 1.822 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H]2COc3ccc(F)cc32)c1 ZINC000579825432 422836521 /nfs/dbraw/zinc/83/65/21/422836521.db2.gz XLDYIHQNTMADPW-WCQYABFASA-N 1 0 322.296 1.015 20 5 DDBDRO CC[NH+]1CCN(CCNC(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000067595217 407277324 /nfs/dbraw/zinc/27/73/24/407277324.db2.gz LIWZXCZDIIFYRS-UHFFFAOYSA-N 1 0 320.393 1.271 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2[C@@H]3CC[C@H]2CC(O)C3)c1 ZINC000111321319 407407369 /nfs/dbraw/zinc/40/73/69/407407369.db2.gz HUAFIPJOXJLXGC-BNGAQMRFSA-N 1 0 322.361 1.322 20 5 DDBDRO NC(=O)N1CCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000111688649 407415215 /nfs/dbraw/zinc/41/52/15/407415215.db2.gz VUBHOAQRWKDUMT-UHFFFAOYSA-N 1 0 322.365 1.450 20 5 DDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[NH2+]C2)cc1OC ZINC000126501371 407415378 /nfs/dbraw/zinc/41/53/78/407415378.db2.gz PERCDMROUMOIMD-VIFPVBQESA-N 1 0 309.322 1.094 20 5 DDBDRO C[NH+](C)[C@H](CNC(=O)Cn1nccc1[N+](=O)[O-])c1ccccc1 ZINC000178465838 407464054 /nfs/dbraw/zinc/46/40/54/407464054.db2.gz FIKPPDINAWUWIB-CYBMUJFWSA-N 1 0 317.349 1.210 20 5 DDBDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000195625672 407470473 /nfs/dbraw/zinc/47/04/73/407470473.db2.gz OZNOBUJGUHRTRN-UPJWGTAASA-N 1 0 323.397 1.274 20 5 DDBDRO CC(C)(C)S(=O)(=O)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000113345011 407495765 /nfs/dbraw/zinc/49/57/65/407495765.db2.gz GOUOYASKIAHWNX-UHFFFAOYSA-N 1 0 300.380 1.898 20 5 DDBDRO C[C@H]1C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000170768231 407500014 /nfs/dbraw/zinc/50/00/14/407500014.db2.gz OWUCDDOSKZKTFU-JSGCOSHPSA-N 1 0 310.350 1.445 20 5 DDBDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000271177869 407555679 /nfs/dbraw/zinc/55/56/79/407555679.db2.gz YEXPEKQAYFVDTO-NSHDSACASA-N 1 0 309.370 1.179 20 5 DDBDRO CC[C@@H]1CN(c2ncc(C)cc2[N+](=O)[O-])CC[N@@H+]1C[C@H](C)O ZINC000266225987 407535341 /nfs/dbraw/zinc/53/53/41/407535341.db2.gz RODHGCRBOYKLJS-QWHCGFSZSA-N 1 0 308.382 1.580 20 5 DDBDRO CC(C)N(CC[NH+](C)C)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000151967961 407538382 /nfs/dbraw/zinc/53/83/82/407538382.db2.gz OTQRHXBOUXIMCQ-UHFFFAOYSA-N 1 0 319.365 1.883 20 5 DDBDRO CC1(C)C[NH2+]CC[C@@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000261749244 407601805 /nfs/dbraw/zinc/60/18/05/407601805.db2.gz QBJRKJVHDQGFTD-LBPRGKRZSA-N 1 0 313.379 1.261 20 5 DDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000226459884 407615861 /nfs/dbraw/zinc/61/58/61/407615861.db2.gz HPYZJYCSMKFVHN-LLVKDONJSA-N 1 0 313.379 1.324 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+]C(C)(C)CC(N)=O ZINC000186253104 407620556 /nfs/dbraw/zinc/62/05/56/407620556.db2.gz LUBIXPDQAKESJT-UHFFFAOYSA-N 1 0 322.365 1.475 20 5 DDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000227066253 407625194 /nfs/dbraw/zinc/62/51/94/407625194.db2.gz YSSVQKKGFVRQNO-ONGXEEELSA-N 1 0 313.379 1.261 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)c1 ZINC000266907310 407671733 /nfs/dbraw/zinc/67/17/33/407671733.db2.gz BOLNDTIPIMBBNL-VHSXEESVSA-N 1 0 308.260 1.179 20 5 DDBDRO C[N@H+](CCc1cnccn1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000271411915 407673402 /nfs/dbraw/zinc/67/34/02/407673402.db2.gz YZAFYWMULBOCTJ-HNNXBMFYSA-N 1 0 302.334 1.593 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCC2([NH3+])CCC2)c1C ZINC000230052385 407678985 /nfs/dbraw/zinc/67/89/85/407678985.db2.gz CJOAPENDPSHZKI-UHFFFAOYSA-N 1 0 313.379 1.371 20 5 DDBDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000115433359 407679181 /nfs/dbraw/zinc/67/91/81/407679181.db2.gz SPZKTZXODZYNCI-CYBMUJFWSA-N 1 0 321.377 1.774 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186541964 407699032 /nfs/dbraw/zinc/69/90/32/407699032.db2.gz GYXIVZNBJAZVGG-GFCCVEGCSA-N 1 0 319.361 1.717 20 5 DDBDRO CCCN(CC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000262030146 407717093 /nfs/dbraw/zinc/71/70/93/407717093.db2.gz YQKMJLIWIYXDMZ-GFCCVEGCSA-N 1 0 306.366 1.607 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000235371653 407720323 /nfs/dbraw/zinc/72/03/23/407720323.db2.gz CLBHXDWVDFWCBK-GHMZBOCLSA-N 1 0 313.379 1.322 20 5 DDBDRO CCOC(=O)C[C@@](C)([NH2+]CCn1ccc([N+](=O)[O-])n1)C(C)C ZINC000186681383 407741552 /nfs/dbraw/zinc/74/15/52/407741552.db2.gz RCHDYKCUZJEKND-CQSZACIVSA-N 1 0 312.370 1.749 20 5 DDBDRO CC(C)C[C@H]([NH3+])C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000236664131 407742930 /nfs/dbraw/zinc/74/29/30/407742930.db2.gz JALXGABCCWMZRB-HNNXBMFYSA-N 1 0 320.393 1.617 20 5 DDBDRO COC(=O)[C@H]1CCCC[C@]1(C)[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000272036754 407748375 /nfs/dbraw/zinc/74/83/75/407748375.db2.gz NWKOEODDKDRIMA-RISCZKNCSA-N 1 0 310.354 1.503 20 5 DDBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@H]([NH3+])C1 ZINC000132678686 407797419 /nfs/dbraw/zinc/79/74/19/407797419.db2.gz JRYMFCHINVVMDW-WPRPVWTQSA-N 1 0 313.741 1.575 20 5 DDBDRO O=C(NC[C@H]1[NH2+]CCc2ccccc21)c1ccc([N+](=O)[O-])[nH]1 ZINC000262575893 407870705 /nfs/dbraw/zinc/87/07/05/407870705.db2.gz YEPJTURCHKBAII-CYBMUJFWSA-N 1 0 300.318 1.540 20 5 DDBDRO O=C(/C=C/c1ccccc1[N+](=O)[O-])NCCCN1CC[NH2+]CC1 ZINC000238029918 407873911 /nfs/dbraw/zinc/87/39/11/407873911.db2.gz LRACMAKEKXBBKM-VOTSOKGWSA-N 1 0 318.377 1.020 20 5 DDBDRO C[C@H]([NH2+]C[C@@H](O)COC[C@@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000180428593 407888556 /nfs/dbraw/zinc/88/85/56/407888556.db2.gz IXBLNTIZCAZINJ-MAZHCROVSA-N 1 0 324.377 1.802 20 5 DDBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000268233465 407961336 /nfs/dbraw/zinc/96/13/36/407961336.db2.gz SPFXCJDDDMBGAL-SMDDNHRTSA-N 1 0 318.377 1.606 20 5 DDBDRO C[NH+]1CCC(C)(CNC(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000272536193 407968308 /nfs/dbraw/zinc/96/83/08/407968308.db2.gz OCGHHHUXNFLURN-UHFFFAOYSA-N 1 0 321.377 1.822 20 5 DDBDRO C[C@@H]1C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H]1c1ccccc1 ZINC000245419090 407969967 /nfs/dbraw/zinc/96/99/67/407969967.db2.gz GWEXASAPDQAIKV-DAXOMENPSA-N 1 0 316.361 1.845 20 5 DDBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000268177649 407930563 /nfs/dbraw/zinc/93/05/63/407930563.db2.gz KWSHIZRJLPPIEF-ABAIWWIYSA-N 1 0 319.361 1.573 20 5 DDBDRO CC[C@H]([NH2+]CCCC(=O)NC(N)=O)c1cccc([N+](=O)[O-])c1 ZINC000181527494 408007704 /nfs/dbraw/zinc/00/77/04/408007704.db2.gz HVIQVPRZFOVQJK-LBPRGKRZSA-N 1 0 308.338 1.611 20 5 DDBDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000136089224 408075414 /nfs/dbraw/zinc/07/54/14/408075414.db2.gz WMRPGBCLQAPHNP-NSHDSACASA-N 1 0 309.370 1.702 20 5 DDBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])CC1(O)CCOCC1 ZINC000189786767 408107923 /nfs/dbraw/zinc/10/79/23/408107923.db2.gz RIQXNXKCGRRDPE-UHFFFAOYSA-N 1 0 310.350 1.447 20 5 DDBDRO C[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1cnn(C)c1 ZINC000273308897 408147063 /nfs/dbraw/zinc/14/70/63/408147063.db2.gz OPSKSRBUNHAMHT-SMDDNHRTSA-N 1 0 320.349 1.419 20 5 DDBDRO CC[NH+]1CCN(C[C@H](C)CNc2ncc([N+](=O)[O-])cn2)CC1 ZINC000273587491 408257067 /nfs/dbraw/zinc/25/70/67/408257067.db2.gz GTGAEZVOYRTFHY-GFCCVEGCSA-N 1 0 308.386 1.070 20 5 DDBDRO Nc1c(C(=O)NCCC[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000175776113 408200755 /nfs/dbraw/zinc/20/07/55/408200755.db2.gz DTEFZXDIXASTKF-UHFFFAOYSA-N 1 0 306.366 1.783 20 5 DDBDRO C[C@H]1CC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@@H]1CO ZINC000190348810 408225380 /nfs/dbraw/zinc/22/53/80/408225380.db2.gz KMNGYYFUMPTGDA-XHDPSFHLSA-N 1 0 319.361 1.187 20 5 DDBDRO O=[N+]([O-])c1ccn(CCN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC000246518874 408279728 /nfs/dbraw/zinc/27/97/28/408279728.db2.gz IPUKQCNMPHFQGS-ZFWWWQNUSA-N 1 0 319.409 1.740 20 5 DDBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C1 ZINC000176086449 408283512 /nfs/dbraw/zinc/28/35/12/408283512.db2.gz VQQQHQIITQYYLO-JTQLQIEISA-N 1 0 308.338 1.109 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[NH2+]CC2=Cc3ccccc3OC2)c1 ZINC000151250965 408283958 /nfs/dbraw/zinc/28/39/58/408283958.db2.gz BPQWENDQRLWJLJ-UHFFFAOYSA-N 1 0 300.318 1.857 20 5 DDBDRO COCC[N@@H+]1CC[C@@H](Nc2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000269399817 408296110 /nfs/dbraw/zinc/29/61/10/408296110.db2.gz URUFPLWWCPLIHL-SNVBAGLBSA-N 1 0 300.746 1.776 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000269406731 408296542 /nfs/dbraw/zinc/29/65/42/408296542.db2.gz UPQBLPBJSMJJBC-SNVBAGLBSA-N 1 0 321.381 1.655 20 5 DDBDRO O=C(C[NH2+]C[C@H]1CCCO1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000157470256 408303758 /nfs/dbraw/zinc/30/37/58/408303758.db2.gz DRMAMHISFUIERS-OAHLLOKOSA-N 1 0 319.361 1.248 20 5 DDBDRO COC(=O)[C@H](O)C1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000135356738 162100371 /nfs/dbraw/zinc/10/03/71/162100371.db2.gz FDXSMZZIFNCMJI-CQSZACIVSA-N 1 0 308.334 1.341 20 5 DDBDRO O=C(N[C@@H]1CC[NH2+]C1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000165855017 162164020 /nfs/dbraw/zinc/16/40/20/162164020.db2.gz UENSJKSGXAIFDZ-SECBINFHSA-N 1 0 314.139 1.449 20 5 DDBDRO COCCN(CC[NH+](C)C)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000264134063 408374577 /nfs/dbraw/zinc/37/45/77/408374577.db2.gz FIZJYCOWUMJDPH-UHFFFAOYSA-N 1 0 309.366 1.174 20 5 DDBDRO CC1(CNC(=O)CNc2ccccc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000183378734 408392406 /nfs/dbraw/zinc/39/24/06/408392406.db2.gz CTMFSQYMXJJMBR-UHFFFAOYSA-N 1 0 306.366 1.513 20 5 DDBDRO COc1ccc(NC(=O)[C@H](C)N(C)C[C@H](C)O)c([N+](=O)[O-])c1 ZINC000159445907 408407590 /nfs/dbraw/zinc/40/75/90/408407590.db2.gz JEZKNLTWQLCCKI-UWVGGRQHSA-N 1 0 311.338 1.243 20 5 DDBDRO CC(C)[N@@H+]1CCC[C@@H](NC(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000274472955 408420237 /nfs/dbraw/zinc/42/02/37/408420237.db2.gz LMBIUZJERMMEHH-CYBMUJFWSA-N 1 0 320.393 1.996 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000247210368 408430867 /nfs/dbraw/zinc/43/08/67/408430867.db2.gz CFWJLSFMUFSWES-CMPLNLGQSA-N 1 0 309.370 1.041 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000247534428 408490086 /nfs/dbraw/zinc/49/00/86/408490086.db2.gz XNRBTZVELILIHX-JQWIXIFHSA-N 1 0 306.366 1.853 20 5 DDBDRO COCC[N@@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000264499658 408514555 /nfs/dbraw/zinc/51/45/55/408514555.db2.gz KDWHRFQFTOVDNU-SNVBAGLBSA-N 1 0 311.313 1.184 20 5 DDBDRO CC[NH2+]CC1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000160994289 408548263 /nfs/dbraw/zinc/54/82/63/408548263.db2.gz QUXRRZLHAKKACY-UHFFFAOYSA-N 1 0 321.377 1.822 20 5 DDBDRO Cc1cc(NC(=O)NC[C@H]2C[N@@H+](C)CCN2C)ccc1[N+](=O)[O-] ZINC000274861413 408559059 /nfs/dbraw/zinc/55/90/59/408559059.db2.gz ZDQBSRZCUHXKPS-ZDUSSCGKSA-N 1 0 321.381 1.271 20 5 DDBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])cnc1N)[N@@H+]1CCC[C@@H](C)C1 ZINC000248438758 408566662 /nfs/dbraw/zinc/56/66/62/408566662.db2.gz TWUVZLYIPOEJHV-GHMZBOCLSA-N 1 0 321.381 1.422 20 5 DDBDRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)C[C@H]12 ZINC000248578855 408589232 /nfs/dbraw/zinc/58/92/32/408589232.db2.gz FATGAQQORKBKSC-IJRGXNBFSA-N 1 0 301.346 1.804 20 5 DDBDRO CC1(C)C[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC[C@H]1O ZINC000275544145 408595370 /nfs/dbraw/zinc/59/53/70/408595370.db2.gz ZLRIYRBXYMLJQS-UKRRQHHQSA-N 1 0 324.377 1.427 20 5 DDBDRO CC1(C)C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC[C@H]1O ZINC000275544134 408596628 /nfs/dbraw/zinc/59/66/28/408596628.db2.gz ZLRIYRBXYMLJQS-DZGCQCFKSA-N 1 0 324.377 1.427 20 5 DDBDRO Cc1ccc(C)c(S(=O)(=O)N[C@H]2CCC[NH2+]C2)c1[N+](=O)[O-] ZINC000193234270 408705618 /nfs/dbraw/zinc/70/56/18/408705618.db2.gz ZXIIYPIVUZYWFS-NSHDSACASA-N 1 0 313.379 1.242 20 5 DDBDRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)C[C@@H]12 ZINC000184953659 408724548 /nfs/dbraw/zinc/72/45/48/408724548.db2.gz VJVBYKSFMZGJKP-ZEGGKSINSA-N 1 0 320.305 1.312 20 5 DDBDRO [NH3+][C@H]1CC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)C[C@@H]12 ZINC000184953637 408724650 /nfs/dbraw/zinc/72/46/50/408724650.db2.gz VJVBYKSFMZGJKP-WQHBLYJGSA-N 1 0 320.305 1.312 20 5 DDBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000249109920 408690944 /nfs/dbraw/zinc/69/09/44/408690944.db2.gz AZZNSTXUYBMNIT-JQWIXIFHSA-N 1 0 322.365 1.498 20 5 DDBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000249109918 408691360 /nfs/dbraw/zinc/69/13/60/408691360.db2.gz AZZNSTXUYBMNIT-CMPLNLGQSA-N 1 0 322.365 1.498 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000163595912 408782553 /nfs/dbraw/zinc/78/25/53/408782553.db2.gz RMRCDAFBKKHYEU-UHFFFAOYSA-N 1 0 317.349 1.190 20 5 DDBDRO C[C@@H](CNC(=O)c1c([N+](=O)[O-])cnn1C)[NH+]1CCC(C)CC1 ZINC000164488466 408799448 /nfs/dbraw/zinc/79/94/48/408799448.db2.gz STYMYNDTRSGTIH-NSHDSACASA-N 1 0 309.370 1.179 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@](C)(O)C1 ZINC000178003520 408754893 /nfs/dbraw/zinc/75/48/93/408754893.db2.gz KRZAXVZVOADKEB-OAHLLOKOSA-N 1 0 307.350 1.689 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000277403683 408934184 /nfs/dbraw/zinc/93/41/84/408934184.db2.gz HGBSJXOSWCHGSQ-SNVBAGLBSA-N 1 0 307.350 1.816 20 5 DDBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H](C)N1CC[NH+](CC)CC1 ZINC000192496765 163225872 /nfs/dbraw/zinc/22/58/72/163225872.db2.gz BDFQCTXDGYIFAO-GFCCVEGCSA-N 1 0 324.429 1.558 20 5 DDBDRO C[C@@H]1COCC[C@@H]1[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000277548849 408962592 /nfs/dbraw/zinc/96/25/92/408962592.db2.gz SPCJRWDVDVMZRU-UPJWGTAASA-N 1 0 310.350 1.349 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H](C)C[NH+]2CCCC2)n1 ZINC000286327803 408964490 /nfs/dbraw/zinc/96/44/90/408964490.db2.gz JNBNCGHNHKSKJL-LLVKDONJSA-N 1 0 322.365 1.920 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCCC[NH+]1CCC(O)CC1 ZINC000278024738 409053334 /nfs/dbraw/zinc/05/33/34/409053334.db2.gz QLWUBMNPEMFTGE-UHFFFAOYSA-N 1 0 321.377 1.480 20 5 DDBDRO COCCO[C@@H]1C[C@H](CO)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000278037452 409055512 /nfs/dbraw/zinc/05/55/12/409055512.db2.gz BZOGZTXUHWQUBM-GOEBONIOSA-N 1 0 324.377 1.441 20 5 DDBDRO O=C(NC1CC[NH+](C2CCCC2)CC1)c1cc([N+](=O)[O-])n[nH]1 ZINC000287757071 409088008 /nfs/dbraw/zinc/08/80/08/409088008.db2.gz ZQGRARHLSGHXHK-UHFFFAOYSA-N 1 0 307.354 1.455 20 5 DDBDRO Cc1n[nH]c(C(=O)N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000293578273 409141874 /nfs/dbraw/zinc/14/18/74/409141874.db2.gz AYPICKHIBXWTIC-SNVBAGLBSA-N 1 0 321.381 1.573 20 5 DDBDRO C[C@H]1CN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC[N@@H+](C2CCC2)C1 ZINC000293716415 409167532 /nfs/dbraw/zinc/16/75/32/409167532.db2.gz PBBIMZAVFRBVOD-GFCCVEGCSA-N 1 0 321.381 1.124 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CCc3cn[nH]c3)CC2)cc1 ZINC000289353264 409253036 /nfs/dbraw/zinc/25/30/36/409253036.db2.gz NEYAGVNZHWAXCA-UHFFFAOYSA-N 1 0 301.350 1.683 20 5 DDBDRO O=C1C[C@@]2(CC[N@@H+](C/C=C/c3ccccc3[N+](=O)[O-])C2)CN1 ZINC000279364387 409199398 /nfs/dbraw/zinc/19/93/98/409199398.db2.gz HKOHEUFVBHZWMF-WMHVBEDNSA-N 1 0 301.346 1.820 20 5 DDBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)Cc3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC000262314370 163804629 /nfs/dbraw/zinc/80/46/29/163804629.db2.gz QDUZXRIPUJXMRX-NWANDNLSSA-N 1 0 303.362 1.723 20 5 DDBDRO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000321307594 164043780 /nfs/dbraw/zinc/04/37/80/164043780.db2.gz CRQAVIMZPOZAPU-DGCLKSJQSA-N 1 0 318.377 1.876 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000347018577 164097260 /nfs/dbraw/zinc/09/72/60/164097260.db2.gz VJLBZYFERSDSNT-UHFFFAOYSA-N 1 0 303.322 1.642 20 5 DDBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1c([N+](=O)[O-])cnn1C ZINC000408103125 164228733 /nfs/dbraw/zinc/22/87/33/164228733.db2.gz KREGURGQMXYBNQ-QWRGUYRKSA-N 1 0 307.354 1.027 20 5 DDBDRO CC(C)[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C[C@H](C)O 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DSUYZFLCFPZAEQ-ZWNOBZJWSA-N 1 0 306.366 1.834 20 5 DDBDRO COc1cc(C(=O)N2CCC(C[NH3+])CC2)cc([N+](=O)[O-])c1C ZINC000297164120 409831300 /nfs/dbraw/zinc/83/13/00/409831300.db2.gz JXLSPGYNDCLTDX-UHFFFAOYSA-N 1 0 307.350 1.723 20 5 DDBDRO CCOC(=O)CCC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000342717944 409843532 /nfs/dbraw/zinc/84/35/32/409843532.db2.gz DWZMWYDIWBSMDC-LBPRGKRZSA-N 1 0 322.365 1.819 20 5 DDBDRO CC[N@@H+]1C[C@H](C)N(CCn2cc([N+](=O)[O-])ccc2=O)C[C@@H]1C ZINC000346185045 409848614 /nfs/dbraw/zinc/84/86/14/409848614.db2.gz GNBHNVMYNZQDTE-STQMWFEESA-N 1 0 308.382 1.171 20 5 DDBDRO COc1ccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1[N+](=O)[O-] ZINC000297087442 409799173 /nfs/dbraw/zinc/79/91/73/409799173.db2.gz QTVSHUDDJVGIKS-YHWZYXNKSA-N 1 0 319.361 1.958 20 5 DDBDRO O=C(c1ccc([N+](=O)[O-])o1)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000313376194 409807203 /nfs/dbraw/zinc/80/72/03/409807203.db2.gz LZAXICMQZPXISA-GFCCVEGCSA-N 1 0 301.302 1.975 20 5 DDBDRO C[C@H](CCC[NH3+])Nc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000313427803 409809249 /nfs/dbraw/zinc/80/92/49/409809249.db2.gz YJJIPIQTLZGNID-SECBINFHSA-N 1 0 301.368 1.538 20 5 DDBDRO O=[N+]([O-])c1ccc2oc(CN3CC[C@H]4C[NH2+]C[C@@H]4C3)nc2c1 ZINC000357092313 409867376 /nfs/dbraw/zinc/86/73/76/409867376.db2.gz ULSOGNAPAMZSAT-WDEREUQCSA-N 1 0 302.334 1.777 20 5 DDBDRO Cc1ccc(S(=O)(=O)N[C@@H](C)C[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000319987252 409900347 /nfs/dbraw/zinc/90/03/47/409900347.db2.gz GJPWSKWIPLTLEP-ZJUUUORDSA-N 1 0 301.368 1.307 20 5 DDBDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000338422427 409976692 /nfs/dbraw/zinc/97/66/92/409976692.db2.gz AANRHAQWOIAZEP-ZDUSSCGKSA-N 1 0 323.397 1.562 20 5 DDBDRO CCNC(=O)[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000339324067 410093625 /nfs/dbraw/zinc/09/36/25/410093625.db2.gz ZFMQLQHCALACQN-CQSZACIVSA-N 1 0 309.366 1.724 20 5 DDBDRO C[N@@H+]1CC[C@H]2OCCN(CCc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000332394032 410123252 /nfs/dbraw/zinc/12/32/52/410123252.db2.gz WGXIXJWZDAEUKU-JKSUJKDBSA-N 1 0 305.378 1.542 20 5 DDBDRO C[C@@H](C[NH+]1CCCCC1)Nc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000298464505 410241465 /nfs/dbraw/zinc/24/14/65/410241465.db2.gz MYVWVQBHOZLPJL-NSHDSACASA-N 1 0 306.366 1.980 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H](C)[C@@H](O)C1 ZINC000351945777 410356490 /nfs/dbraw/zinc/35/64/90/410356490.db2.gz ULEJACICEDUGJC-MFKMUULPSA-N 1 0 323.349 1.245 20 5 DDBDRO O=C(NCCCO)C1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000298714044 410360223 /nfs/dbraw/zinc/36/02/23/410360223.db2.gz LMMGDFCPBAUQFU-UHFFFAOYSA-N 1 0 321.377 1.305 20 5 DDBDRO C[C@H]1[C@@H](NC(=O)COc2ccccc2[N+](=O)[O-])CCC[N@@H+]1C ZINC000343464889 410475070 /nfs/dbraw/zinc/47/50/70/410475070.db2.gz YVUPJVFNUCZCRI-RYUDHWBXSA-N 1 0 307.350 1.573 20 5 DDBDRO C[C@H]1CN(c2ccc([N+](=O)[O-])nc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000343420815 410437953 /nfs/dbraw/zinc/43/79/53/410437953.db2.gz BHYBYJWZGVDKQS-ZFWWWQNUSA-N 1 0 319.409 1.452 20 5 DDBDRO CCCc1n[nH]c(C(=O)NCC2CCC(C[NH3+])CC2)c1[N+](=O)[O-] ZINC000343595724 410557906 /nfs/dbraw/zinc/55/79/06/410557906.db2.gz MIQFGQHMUCVBDW-UHFFFAOYSA-N 1 0 323.397 1.765 20 5 DDBDRO CC[NH+]1CCN([C@@H](C)CNc2c([N+](=O)[O-])c(C)nn2C)CC1 ZINC000301242994 410684792 /nfs/dbraw/zinc/68/47/92/410684792.db2.gz AFYOPLKIJIRICX-NSHDSACASA-N 1 0 310.402 1.075 20 5 DDBDRO C[C@@H]1[C@H](CO)CC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337478267 410815575 /nfs/dbraw/zinc/81/55/75/410815575.db2.gz UFCUVYKRIREALX-NEPJUHHUSA-N 1 0 307.350 1.626 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[N@@H+](C)CC1(C)C ZINC000330583429 410799216 /nfs/dbraw/zinc/79/92/16/410799216.db2.gz VRJXINLTGDQKKC-UHFFFAOYSA-N 1 0 320.393 1.868 20 5 DDBDRO C[N@@H+]1CCC[C@@H]2CN(c3ccc4ncc([N+](=O)[O-])n4n3)CC[C@H]21 ZINC000301965065 410836268 /nfs/dbraw/zinc/83/62/68/410836268.db2.gz NYLVWFLPOBHREF-VXGBXAGGSA-N 1 0 316.365 1.558 20 5 DDBDRO C[C@@H]1C[C@@H](CO)CC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000344121278 410970738 /nfs/dbraw/zinc/97/07/38/410970738.db2.gz DWVZTYJUKVMUTE-MNOVXSKESA-N 1 0 307.350 1.287 20 5 DDBDRO CC[NH+](CC)CCO[C@H]1CCN(c2c([N+](=O)[O-])ncn2C)C1 ZINC000353464248 411002254 /nfs/dbraw/zinc/00/22/54/411002254.db2.gz YVEWAFDOHFUMHL-LBPRGKRZSA-N 1 0 311.386 1.265 20 5 DDBDRO Cc1cc(OCC(=O)N2C[C@H](C)[N@@H+](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000331208986 411019859 /nfs/dbraw/zinc/01/98/59/411019859.db2.gz WHJBVOMOGOBAQI-STQMWFEESA-N 1 0 321.377 1.833 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)N2CCC([NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000331212626 411020905 /nfs/dbraw/zinc/02/09/05/411020905.db2.gz KKOMFMIHXGFSAX-UHFFFAOYSA-N 1 0 309.370 1.608 20 5 DDBDRO CC1(C)[C@H](O)C[C@H]1[NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000579975484 422868848 /nfs/dbraw/zinc/86/88/48/422868848.db2.gz UIMBLYCKSOVTDS-MGPQQGTHSA-N 1 0 319.361 1.449 20 5 DDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@@H](O)[C@@H]2CCOC2)n1 ZINC000580519636 422938108 /nfs/dbraw/zinc/93/81/08/422938108.db2.gz OMWDSLCVYMFTBU-XJFOESAGSA-N 1 0 324.381 1.262 20 5 DDBDRO COc1ccc(C[N@H+](C)[C@H](C)CN2CCOCC2)cc1[N+](=O)[O-] ZINC000271634991 209079104 /nfs/dbraw/zinc/07/91/04/209079104.db2.gz PXBHSJITOYZJDH-CYBMUJFWSA-N 1 0 323.393 1.756 20 5 DDBDRO C[NH+](C)CCNC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000134206876 196370708 /nfs/dbraw/zinc/37/07/08/196370708.db2.gz GXCNCERXRVEMDJ-UHFFFAOYSA-N 1 0 316.155 1.649 20 5 DDBDRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000417223393 225252137 /nfs/dbraw/zinc/25/21/37/225252137.db2.gz GQFDDXZPOFCMEW-HIFRSBDPSA-N 1 0 320.393 1.954 20 5 DDBDRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000417238242 225259705 /nfs/dbraw/zinc/25/97/05/225259705.db2.gz YCAXZMYCSAEMSQ-FZMZJTMJSA-N 1 0 306.366 1.435 20 5 DDBDRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1CCOc1cccc([N+](=O)[O-])c1 ZINC000419331829 226120547 /nfs/dbraw/zinc/12/05/47/226120547.db2.gz RXEGQPRARFJCJK-UONOGXRCSA-N 1 0 323.393 1.361 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1CN1C[C@@H](C)[N@H+](CCO)C[C@@H]1C ZINC000419350878 226127202 /nfs/dbraw/zinc/12/72/02/226127202.db2.gz ZYWFAGMMRKAWIR-OLZOCXBDSA-N 1 0 323.393 1.490 20 5 DDBDRO COc1cc(C(=O)NCC2CC[NH2+]CC2)cc([N+](=O)[O-])c1C ZINC000297351526 227049159 /nfs/dbraw/zinc/04/91/59/227049159.db2.gz ZGHDPBBZPKMTGB-UHFFFAOYSA-N 1 0 307.350 1.641 20 5 DDBDRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)C1 ZINC000360536603 418458552 /nfs/dbraw/zinc/45/85/52/418458552.db2.gz LDIRKRFIELDXBU-GFCCVEGCSA-N 1 0 322.365 1.040 20 5 DDBDRO C[C@@H]([NH3+])C1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000178922995 221884048 /nfs/dbraw/zinc/88/40/48/221884048.db2.gz SGYKQQWPROWHOT-MRVPVSSYSA-N 1 0 319.408 1.404 20 5 DDBDRO O=C([C@@H]1C[C@@H]1[N+](=O)[O-])N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000373933507 418474502 /nfs/dbraw/zinc/47/45/02/418474502.db2.gz MPPRPDAPADBXQF-CABCVRRESA-N 1 0 303.362 1.386 20 5 DDBDRO O=C([C@H]1C[C@H]1[N+](=O)[O-])N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000373933610 418474686 /nfs/dbraw/zinc/47/46/86/418474686.db2.gz MPPRPDAPADBXQF-LSDHHAIUSA-N 1 0 303.362 1.386 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCCC[C@@H]1CO ZINC000194361029 418543415 /nfs/dbraw/zinc/54/34/15/418543415.db2.gz BZMPORYJMHIJSV-CHWSQXEVSA-N 1 0 310.350 1.181 20 5 DDBDRO C[C@@H]1CN(CC[N@@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)CCO1 ZINC000367049123 418554900 /nfs/dbraw/zinc/55/49/00/418554900.db2.gz CDRHCSVDMYKJBM-KGLIPLIRSA-N 1 0 323.397 1.149 20 5 DDBDRO COc1ccc(C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000289343408 418575561 /nfs/dbraw/zinc/57/55/61/418575561.db2.gz XEPNSOUGNBPNEY-INIZCTEOSA-N 1 0 319.361 1.819 20 5 DDBDRO C[C@@H]1[NH2+]CCC[C@@H]1NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000193463748 222155174 /nfs/dbraw/zinc/15/51/74/222155174.db2.gz ZDKDLZPURCDILY-GWCFXTLKSA-N 1 0 313.379 1.155 20 5 DDBDRO CO[C@H]1CC[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000361385457 418641192 /nfs/dbraw/zinc/64/11/92/418641192.db2.gz QCEJCVUXWNBXSE-LBPRGKRZSA-N 1 0 321.333 1.614 20 5 DDBDRO O=C1NC(=O)[C@@H]2CN(Cc3ccc(Cl)cc3[N+](=O)[O-])CC[C@@H]12 ZINC000367840318 418643929 /nfs/dbraw/zinc/64/39/29/418643929.db2.gz QDSKXAXHFFTWHW-GHMZBOCLSA-N 1 0 323.736 1.343 20 5 DDBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(c2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000341798426 418626296 /nfs/dbraw/zinc/62/62/96/418626296.db2.gz KYDVACWGURZCKD-IJLUTSLNSA-N 1 0 320.397 1.809 20 5 DDBDRO C[N@@H+]1CC[C@]2(CCN(c3ccc4ncc([N+](=O)[O-])n4n3)C2)C1 ZINC000368299409 418716788 /nfs/dbraw/zinc/71/67/88/418716788.db2.gz OHZPRWDFONGXRI-AWEZNQCLSA-N 1 0 302.338 1.170 20 5 DDBDRO C[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@@H]1CO ZINC000361658079 418697424 /nfs/dbraw/zinc/69/74/24/418697424.db2.gz XEWVWXRPWDWGSL-ZWNOBZJWSA-N 1 0 308.334 1.522 20 5 DDBDRO O=C(Nc1cnc2c(c1)C[NH2+]CC2)c1csc([N+](=O)[O-])c1 ZINC000361696511 418699013 /nfs/dbraw/zinc/69/90/13/418699013.db2.gz QKTRBNZVNPPPAZ-UHFFFAOYSA-N 1 0 304.331 1.949 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@H](C)[C@H](C)[NH3+])c1C ZINC000381500270 418729290 /nfs/dbraw/zinc/72/92/90/418729290.db2.gz SGZOHLHKUZULPN-VHSXEESVSA-N 1 0 301.368 1.226 20 5 DDBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCCN2)c1 ZINC000423012364 227312365 /nfs/dbraw/zinc/31/23/65/227312365.db2.gz KNGFLZCDTPYVFV-BBWFWOEESA-N 1 0 319.405 1.884 20 5 DDBDRO COc1ccc(CNC(=O)[C@H](C(C)C)[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000423060830 227332053 /nfs/dbraw/zinc/33/20/53/227332053.db2.gz JCALJWSKRCXKCL-QMTHXVAHSA-N 1 0 309.366 1.839 20 5 DDBDRO COc1ccc(CNC(=O)[C@H](C(C)C)[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000423060829 227333237 /nfs/dbraw/zinc/33/32/37/227333237.db2.gz JCALJWSKRCXKCL-IINYFYTJSA-N 1 0 309.366 1.839 20 5 DDBDRO O=[N+]([O-])c1cnn(CCN2CCC([NH2+]C3CCCC3)CC2)c1 ZINC000371844558 418821382 /nfs/dbraw/zinc/82/13/82/418821382.db2.gz PWSPPRSONGDQFL-UHFFFAOYSA-N 1 0 307.398 1.788 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(N2CCC[N@H+](CC(C)(C)O)CC2)n1 ZINC000372590953 418886352 /nfs/dbraw/zinc/88/63/52/418886352.db2.gz DQFKOSHISCXFEY-UHFFFAOYSA-N 1 0 308.382 1.581 20 5 DDBDRO [NH3+][C@H]1CCC[C@@]12CCN(C(=O)Cc1ccccc1[N+](=O)[O-])C2 ZINC000372777090 418900718 /nfs/dbraw/zinc/90/07/18/418900718.db2.gz SDHFMFHROSRRMT-HOCLYGCPSA-N 1 0 303.362 1.867 20 5 DDBDRO Nc1cc(C[N@@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)ccn1 ZINC000365880432 418919151 /nfs/dbraw/zinc/91/91/51/418919151.db2.gz QSMORTDAXIHOAI-LBPRGKRZSA-N 1 0 302.338 1.606 20 5 DDBDRO O=C(COc1ccccc1[N+](=O)[O-])N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000373066532 418926259 /nfs/dbraw/zinc/92/62/59/418926259.db2.gz SBZRTVWBDUKOLN-VXGBXAGGSA-N 1 0 305.334 1.184 20 5 DDBDRO C[C@@H]1C[C@H](O)C[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000412042131 419581056 /nfs/dbraw/zinc/58/10/56/419581056.db2.gz TWVVAQHRBWQYIP-FRRDWIJNSA-N 1 0 310.350 1.037 20 5 DDBDRO [NH3+]C1CCC(NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC000418383488 419760110 /nfs/dbraw/zinc/76/01/10/419760110.db2.gz JFRKGLTUTWZMNP-UHFFFAOYSA-N 1 0 318.377 1.932 20 5 DDBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NC[C@H]1CCC[NH2+]1 ZINC000414849438 419840312 /nfs/dbraw/zinc/84/03/12/419840312.db2.gz RDZCEQFAKJFAQO-WCQYABFASA-N 1 0 306.366 1.654 20 5 DDBDRO [NH3+]CCCCNC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000418506558 419842133 /nfs/dbraw/zinc/84/21/33/419842133.db2.gz GYJGEKFQKXEBHW-UHFFFAOYSA-N 1 0 308.338 1.106 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCCC[C@@H]1C[NH3+] ZINC000430626999 228940602 /nfs/dbraw/zinc/94/06/02/228940602.db2.gz LPQATMSEWFGWON-GFCCVEGCSA-N 1 0 306.366 1.655 20 5 DDBDRO COc1ccc(OCCN2CC[C@H]3[NH2+]CC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000428033819 419792846 /nfs/dbraw/zinc/79/28/46/419792846.db2.gz NCQGAEVNFKAWSI-TZMCWYRMSA-N 1 0 321.377 1.666 20 5 DDBDRO C[C@@H]1COCC[C@@H]1[NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000432235691 229089288 /nfs/dbraw/zinc/08/92/88/229089288.db2.gz LIQYHSSRJQIUKT-UGFHNGPFSA-N 1 0 319.361 1.715 20 5 DDBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCC[NH2+]1 ZINC000423229575 419991510 /nfs/dbraw/zinc/99/15/10/419991510.db2.gz BOQYPDNMVQMQED-AAEUAGOBSA-N 1 0 306.366 1.654 20 5 DDBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@H]1C[NH2+]CC[C@H]1C ZINC000423355970 420025136 /nfs/dbraw/zinc/02/51/36/420025136.db2.gz GCHPJJCJACRMQK-JMSVASOKSA-N 1 0 320.393 1.900 20 5 DDBDRO C[NH2+][C@@H]1CCCN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000415357806 420034858 /nfs/dbraw/zinc/03/48/58/420034858.db2.gz JKDUKNKPXFTJOX-LLVKDONJSA-N 1 0 320.349 1.052 20 5 DDBDRO CC1(C)CCC[NH2+][C@H]1CNC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000415388908 420047053 /nfs/dbraw/zinc/04/70/53/420047053.db2.gz SDLVFVMQPKYAFN-LBPRGKRZSA-N 1 0 307.354 1.311 20 5 DDBDRO Cc1ccc(NC(=O)C(=O)NCC[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000415617379 420125390 /nfs/dbraw/zinc/12/53/90/420125390.db2.gz BKLPAINKMDIXSN-LLVKDONJSA-N 1 0 320.349 1.100 20 5 DDBDRO COC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1OC)[C@@H]1CCCO1 ZINC000430228698 420092737 /nfs/dbraw/zinc/09/27/37/420092737.db2.gz DSGJRMCTSCUTRC-KBPBESRZSA-N 1 0 310.350 1.887 20 5 DDBDRO COc1ccc(NC(=O)CN(C)C2(C[NH3+])CCC2)c([N+](=O)[O-])c1 ZINC000420326440 420209659 /nfs/dbraw/zinc/20/96/59/420209659.db2.gz JXQIOEULOWNDOF-UHFFFAOYSA-N 1 0 322.365 1.355 20 5 DDBDRO Cc1c(NC(=O)[C@H](C)N2C[C@@H](C)[NH2+][C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000430928403 420210540 /nfs/dbraw/zinc/21/05/40/420210540.db2.gz LIVVSEGQJKQHJI-LOWVWBTDSA-N 1 0 320.393 1.912 20 5 DDBDRO C[C@H]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](C[NH3+])C1 ZINC000420324820 420211005 /nfs/dbraw/zinc/21/10/05/420211005.db2.gz BCNVERRSGCYPSH-SWLSCSKDSA-N 1 0 320.393 1.983 20 5 DDBDRO C[NH2+]C[C@@H]1CCCN1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000430576359 420143317 /nfs/dbraw/zinc/14/33/17/420143317.db2.gz BJJNIBWHASYDHO-LBPRGKRZSA-N 1 0 309.366 1.666 20 5 DDBDRO COC(=O)c1cc(C(=O)N[C@@H]2CC[NH2+]C2(C)C)cc([N+](=O)[O-])c1 ZINC000423721724 420143442 /nfs/dbraw/zinc/14/34/42/420143442.db2.gz FDAQEYPWLMQYOI-GFCCVEGCSA-N 1 0 321.333 1.252 20 5 DDBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)CC(C)(C)C[NH3+] ZINC000430585379 420148307 /nfs/dbraw/zinc/14/83/07/420148307.db2.gz SDTNGWNUSZNWJE-LLVKDONJSA-N 1 0 308.382 1.839 20 5 DDBDRO CN(C(=O)CN[C@](C)(C[NH3+])C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000430592880 420150045 /nfs/dbraw/zinc/15/00/45/420150045.db2.gz NRXHLYSEARVWGH-OAHLLOKOSA-N 1 0 306.366 1.275 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC(C[NH3+])CC1 ZINC000430594524 420151879 /nfs/dbraw/zinc/15/18/79/420151879.db2.gz ROOJYIVSFGDYOH-UHFFFAOYSA-N 1 0 322.365 1.213 20 5 DDBDRO COC(=O)c1cc(NC[C@H]2C[NH2+]CCN2C)cc(C)c1[N+](=O)[O-] ZINC000420281346 420180736 /nfs/dbraw/zinc/18/07/36/420180736.db2.gz VPVCUYZDJDYIDB-GFCCVEGCSA-N 1 0 322.365 1.005 20 5 DDBDRO O=C(CNc1ccccc1[N+](=O)[O-])N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000435244843 420263619 /nfs/dbraw/zinc/26/36/19/420263619.db2.gz IJRQMUPHBRPQIK-GFCCVEGCSA-N 1 0 304.350 1.360 20 5 DDBDRO C[C@H]1CN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@H](C)[NH2+]1 ZINC000430946391 420218493 /nfs/dbraw/zinc/21/84/93/420218493.db2.gz ALUXQJWOIRZMJK-QWRGUYRKSA-N 1 0 317.349 1.827 20 5 DDBDRO C[C@@H]1CN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC[NH2+]1 ZINC000420335622 420219256 /nfs/dbraw/zinc/21/92/56/420219256.db2.gz KPGILSKJJCQTFV-SNVBAGLBSA-N 1 0 303.322 1.439 20 5 DDBDRO C[NH2+]CCCN(C)S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000420472146 420306729 /nfs/dbraw/zinc/30/67/29/420306729.db2.gz ROOQVPZVZQMLFC-UHFFFAOYSA-N 1 0 301.368 1.133 20 5 DDBDRO CN1C(=O)NCC12CC[NH+](Cc1ccccc1[N+](=O)[O-])CC2 ZINC000425367195 420363638 /nfs/dbraw/zinc/36/36/38/420363638.db2.gz BKWHQVOZIWZIPP-UHFFFAOYSA-N 1 0 304.350 1.584 20 5 DDBDRO Cc1c(NC(=O)CCN2CC[NH2+][C@@H](C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000436057800 420304171 /nfs/dbraw/zinc/30/41/71/420304171.db2.gz HDMXBNIZBVQMFH-QWHCGFSZSA-N 1 0 320.393 1.914 20 5 DDBDRO COc1cccc(C(=O)NCC2=CC[N@H+](C)CC2)c1[N+](=O)[O-] ZINC000444336937 230084710 /nfs/dbraw/zinc/08/47/10/230084710.db2.gz BVLPIAXKFXUVAP-UHFFFAOYSA-N 1 0 305.334 1.595 20 5 DDBDRO CCC[C@@H]1C[NH2+]CCN1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000417760183 420470820 /nfs/dbraw/zinc/47/08/20/420470820.db2.gz FNMTVOBGBCDITP-CQSZACIVSA-N 1 0 320.393 1.921 20 5 DDBDRO Cc1ccc(NCCCNC(=O)N[C@H](C)[C@@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000417715355 420459187 /nfs/dbraw/zinc/45/91/87/420459187.db2.gz JYSWCQMVDYEMQI-VXGBXAGGSA-N 1 0 323.397 1.740 20 5 DDBDRO C[C@@H]1CN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000417738822 420464524 /nfs/dbraw/zinc/46/45/24/420464524.db2.gz YPRNHCSPTVEIIL-CYBMUJFWSA-N 1 0 320.393 1.921 20 5 DDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000417763455 420472093 /nfs/dbraw/zinc/47/20/93/420472093.db2.gz KODCNXATZZJVDY-KGLIPLIRSA-N 1 0 318.377 1.673 20 5 DDBDRO NC(=O)c1cccc(NCC[NH+]2CCCCCC2)c1[N+](=O)[O-] ZINC000439097215 420479759 /nfs/dbraw/zinc/47/97/59/420479759.db2.gz HEIPKQINYNDRIU-UHFFFAOYSA-N 1 0 306.366 1.982 20 5 DDBDRO NC(=O)c1ccc(C[NH2+]C2(CCO)CCCCC2)c([N+](=O)[O-])c1 ZINC000440890350 420617020 /nfs/dbraw/zinc/61/70/20/420617020.db2.gz SOWCPPMTRAVANH-UHFFFAOYSA-N 1 0 321.377 1.869 20 5 DDBDRO C[C@H]1C[C@H](O)C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000452068542 420620336 /nfs/dbraw/zinc/62/03/36/420620336.db2.gz OSUXFJMZOKOXFF-FZMZJTMJSA-N 1 0 307.350 1.626 20 5 DDBDRO C[C@H](CNC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1[N+](=O)[O-] ZINC001120577986 782033339 /nfs/dbraw/zinc/03/33/39/782033339.db2.gz QOIFNBLKYKSOIZ-UPJWGTAASA-N 1 0 318.377 1.559 20 5 DDBDRO CC[N@H+](CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000443198227 420748115 /nfs/dbraw/zinc/74/81/15/420748115.db2.gz MZWHPYGZRKIPFT-UHFFFAOYSA-N 1 0 315.395 1.603 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@H](C[NH3+])C[C@H]1C ZINC000442765162 420712372 /nfs/dbraw/zinc/71/23/72/420712372.db2.gz HBUUUYDIFZWWNT-NEPJUHHUSA-N 1 0 306.366 1.511 20 5 DDBDRO C[C@@H](CNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[NH+](C)C ZINC000458707297 420718707 /nfs/dbraw/zinc/71/87/07/420718707.db2.gz PNEVWZMYSQWIIE-VIFPVBQESA-N 1 0 320.353 1.220 20 5 DDBDRO CCOC[C@H](O)C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447538283 420780371 /nfs/dbraw/zinc/78/03/71/420780371.db2.gz BJDJPHWZMKHFNL-AGIUHOORSA-N 1 0 312.370 1.262 20 5 DDBDRO C[C@H]1[C@@H](CO)CC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000488721173 421107691 /nfs/dbraw/zinc/10/76/91/421107691.db2.gz RNJVJSBHPMSJNV-CMPLNLGQSA-N 1 0 318.333 1.848 20 5 DDBDRO C[C@]1(O)CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C1 ZINC000450037128 421133370 /nfs/dbraw/zinc/13/33/70/421133370.db2.gz CWWVZBBBBGOCQW-HNNXBMFYSA-N 1 0 316.317 1.377 20 5 DDBDRO CN(CC(=O)N1CCC[C@H]2C[NH2+]C[C@H]21)c1ccccc1[N+](=O)[O-] ZINC000449731328 421070892 /nfs/dbraw/zinc/07/08/92/421070892.db2.gz IAMVWQOMIUHRSD-SWLSCSKDSA-N 1 0 318.377 1.241 20 5 DDBDRO CCOc1ccc(C(=O)N[C@@H]2CC[NH2+]C2(C)C)cc1[N+](=O)[O-] ZINC000449748998 421074781 /nfs/dbraw/zinc/07/47/81/421074781.db2.gz ODRPZSMWGISWLZ-CYBMUJFWSA-N 1 0 307.350 1.864 20 5 DDBDRO C[C@@H]1CC[N@H+](CCNC(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000524719957 421266007 /nfs/dbraw/zinc/26/60/07/421266007.db2.gz RQFZKPPPLZPECW-GFCCVEGCSA-N 1 0 306.366 1.465 20 5 DDBDRO C[C@H]1CC[N@H+](CCNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000524775234 421271162 /nfs/dbraw/zinc/27/11/62/421271162.db2.gz AVQPTVZHVZSXRG-JTQLQIEISA-N 1 0 317.349 1.543 20 5 DDBDRO Cc1c(C(=O)NC[C@@]2(O)C[NH+]3CCC2CC3)cccc1[N+](=O)[O-] ZINC000552210600 421581076 /nfs/dbraw/zinc/58/10/76/421581076.db2.gz MEDSOFLSQPGGKS-MRXNPFEDSA-N 1 0 319.361 1.090 20 5 DDBDRO CNc1nccc(C(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000566467335 421606132 /nfs/dbraw/zinc/60/61/32/421606132.db2.gz VVEUIIFKMWEJEA-NSHDSACASA-N 1 0 321.381 1.586 20 5 DDBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])cn1C)[N@@H+]1CCCC[C@H]1C ZINC000518219675 421645244 /nfs/dbraw/zinc/64/52/44/421645244.db2.gz KWOKYFZKZOMHLP-VXGBXAGGSA-N 1 0 308.382 1.926 20 5 DDBDRO CC(C)[N@@H+]1CC[C@H](CNc2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000558589560 421815372 /nfs/dbraw/zinc/81/53/72/421815372.db2.gz LCVBNUQQZWMLHE-SNVBAGLBSA-N 1 0 307.354 1.231 20 5 DDBDRO Cc1nccc(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)n1 ZINC000559072180 421829545 /nfs/dbraw/zinc/82/95/45/421829545.db2.gz WORRUZIZEZMPFX-AWEZNQCLSA-N 1 0 318.333 1.223 20 5 DDBDRO CC[N@H+](C)C[C@H](O)CN1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000559637071 421836877 /nfs/dbraw/zinc/83/68/77/421836877.db2.gz HRRYKFUKXAEJBR-INIZCTEOSA-N 1 0 322.409 1.029 20 5 DDBDRO CC[N@@H+]1CCC[C@H](CNC(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000543580425 421838784 /nfs/dbraw/zinc/83/87/84/421838784.db2.gz BLQOTUPONTYYMR-LLVKDONJSA-N 1 0 306.366 1.639 20 5 DDBDRO CN(CC(=O)N1CC[N@H+](C)C(C)(C)C1)c1ccccc1[N+](=O)[O-] ZINC000581157666 421910286 /nfs/dbraw/zinc/91/02/86/421910286.db2.gz DERCBKQHIXQMHW-UHFFFAOYSA-N 1 0 320.393 1.584 20 5 DDBDRO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cn2C)CC[N@@H+](C2CC2)C1 ZINC000581232822 421927511 /nfs/dbraw/zinc/92/75/11/421927511.db2.gz RTOWWDVZVMSBLY-NSHDSACASA-N 1 0 306.366 1.490 20 5 DDBDRO [NH3+]CCCCC(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000583260421 422159134 /nfs/dbraw/zinc/15/91/34/422159134.db2.gz PBYPOJWSNITBGF-UHFFFAOYSA-N 1 0 303.322 2.052 20 5 DDBDRO Nc1nccc(C(=O)NC2CC([NH+]3CCCCC3)C2)c1[N+](=O)[O-] ZINC000584664620 422300834 /nfs/dbraw/zinc/30/08/34/422300834.db2.gz LDHVRFDRJADFSB-UHFFFAOYSA-N 1 0 319.365 1.319 20 5 DDBDRO O=C(CC[C@H]1CC[NH2+]C1)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000575865818 422338971 /nfs/dbraw/zinc/33/89/71/422338971.db2.gz UYBVRKVKBHQITC-LBPRGKRZSA-N 1 0 307.350 1.480 20 5 DDBDRO Nc1nccc(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000594418494 422347465 /nfs/dbraw/zinc/34/74/65/422347465.db2.gz JMOKFPHYETVWSR-VXGBXAGGSA-N 1 0 319.365 1.319 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCNc1cnccn1 ZINC000595013222 422353915 /nfs/dbraw/zinc/35/39/15/422353915.db2.gz GCMUCYQTZHDONH-NSHDSACASA-N 1 0 317.349 2.156 20 5 DDBDRO C[C@@H]1CCC[C@H](C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1C ZINC000578007167 422475463 /nfs/dbraw/zinc/47/54/63/422475463.db2.gz BQIVVCNEMAENCK-RGCMKSIDSA-N 1 0 310.398 1.814 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H](C2CC2)[NH+](C)C)n1 ZINC000342047815 271282635 /nfs/dbraw/zinc/28/26/35/271282635.db2.gz XUZTZPTZERFRME-LBPRGKRZSA-N 1 0 308.338 1.529 20 5 DDBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H](CO)c2cccnc2)c(F)c1 ZINC000342276617 271364178 /nfs/dbraw/zinc/36/41/78/271364178.db2.gz KKVIITMPLUAKBC-CYBMUJFWSA-N 1 0 305.309 1.995 20 5 DDBDRO C[C@@H](CC(N)=O)[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000343099419 271643347 /nfs/dbraw/zinc/64/33/47/271643347.db2.gz VDBXPIGNOQYLOM-UWVGGRQHSA-N 1 0 308.338 1.165 20 5 DDBDRO C[C@H]1C[N@@H+](C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCO1 ZINC000344436035 272026492 /nfs/dbraw/zinc/02/64/92/272026492.db2.gz PENZSQJQANXWGD-LBPRGKRZSA-N 1 0 306.366 1.679 20 5 DDBDRO CCCN(CC[NH+](C)C)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000344867538 272131832 /nfs/dbraw/zinc/13/18/32/272131832.db2.gz SCHOMRSQZRDDLC-UHFFFAOYSA-N 1 0 309.366 1.774 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CCC[N@@H+]([C@@H](C)CO)CC2)n1 ZINC000345044331 272162678 /nfs/dbraw/zinc/16/26/78/272162678.db2.gz OIGMNGLTSBWUDT-ZDUSSCGKSA-N 1 0 308.382 1.500 20 5 DDBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2c([N+](=O)[O-])c(C)nn2C)C1 ZINC000345595113 272287654 /nfs/dbraw/zinc/28/76/54/272287654.db2.gz MWJZELKJMAVLQA-NSHDSACASA-N 1 0 309.370 1.098 20 5 DDBDRO CC[C@H](CO)[NH+]1CCN(c2cc(OC)ccc2[N+](=O)[O-])CC1 ZINC000266207053 273747322 /nfs/dbraw/zinc/74/73/22/273747322.db2.gz LJCIMOUKMGUZQU-GFCCVEGCSA-N 1 0 309.366 1.496 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)n1 ZINC000281079589 274004601 /nfs/dbraw/zinc/00/46/01/274004601.db2.gz BPZAMPZUYZIBOP-MNOVXSKESA-N 1 0 320.349 1.449 20 5 DDBDRO C[C@H](O)C[NH+]1CCN(c2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000489945656 274539393 /nfs/dbraw/zinc/53/93/93/274539393.db2.gz OHTPTWAYJSCYTF-NSHDSACASA-N 1 0 317.349 1.041 20 5 DDBDRO CC[N@H+](C)CCNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000130916281 276071369 /nfs/dbraw/zinc/07/13/69/276071369.db2.gz OPTVNERQISDTSH-UHFFFAOYSA-N 1 0 321.786 1.478 20 5 DDBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])C1 ZINC000269451268 276306757 /nfs/dbraw/zinc/30/67/57/276306757.db2.gz GILOLGJBIFUTGS-NSHDSACASA-N 1 0 323.397 1.855 20 5 DDBDRO C[NH+]1CCC([C@H]2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)CC1 ZINC000271132650 277034451 /nfs/dbraw/zinc/03/44/51/277034451.db2.gz NGINEDNSLGXKKV-NSHDSACASA-N 1 0 307.354 1.122 20 5 DDBDRO CC[C@H]([NH3+])CN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000423467896 287931837 /nfs/dbraw/zinc/93/18/37/287931837.db2.gz OEIOEFPIGSIZQB-JSGCOSHPSA-N 1 0 303.366 1.745 20 5 DDBDRO COC(=O)[C@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)[C@H]1C(C)C ZINC000429391283 277394633 /nfs/dbraw/zinc/39/46/33/277394633.db2.gz CGTZQISRJOMJNO-AAEUAGOBSA-N 1 0 310.354 1.311 20 5 DDBDRO COC(=O)c1cc(C)nc(N[C@H]2CCC[C@@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000420234883 277420943 /nfs/dbraw/zinc/42/09/43/277420943.db2.gz HUKKQVWPZRGHBC-ZJUUUORDSA-N 1 0 308.338 1.767 20 5 DDBDRO C[C@H](C[S@](C)=O)[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000331332777 278219687 /nfs/dbraw/zinc/21/96/87/278219687.db2.gz IMMFSANXEFXFSO-KGHRAVHDSA-N 1 0 314.411 1.632 20 5 DDBDRO C[C@@H]([NH3+])[C@@H](C)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000182848601 278309803 /nfs/dbraw/zinc/30/98/03/278309803.db2.gz LZNVVVXRNRISMK-VXGBXAGGSA-N 1 0 306.366 1.227 20 5 DDBDRO CC1(C)CN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC[NH2+]1 ZINC000332538101 278320786 /nfs/dbraw/zinc/32/07/86/278320786.db2.gz WDPVKGMRMHTGEX-UHFFFAOYSA-N 1 0 321.333 1.190 20 5 DDBDRO C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCC[NH2+]C1 ZINC000050163268 278360949 /nfs/dbraw/zinc/36/09/49/278360949.db2.gz IKRFBLUIYBVOBH-MNOVXSKESA-N 1 0 313.379 1.261 20 5 DDBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CCCOCCO)n1 ZINC000447596909 280377116 /nfs/dbraw/zinc/37/71/16/280377116.db2.gz RBJMQKZSPBYTGM-OLZOCXBDSA-N 1 0 312.370 1.264 20 5 DDBDRO O=C(NCc1cccc([N+](=O)[O-])c1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000129138991 281333773 /nfs/dbraw/zinc/33/37/73/281333773.db2.gz WNHBZFAARYJDML-ZDUSSCGKSA-N 1 0 318.377 1.878 20 5 DDBDRO C[C@H](O)C[C@H]1CCC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000246745540 282011935 /nfs/dbraw/zinc/01/19/35/282011935.db2.gz PTXFMOQIANTXKX-GZBFAFLISA-N 1 0 324.377 1.570 20 5 DDBDRO C[C@@H]([NH2+]CCCN1C(=O)CNC1=O)c1cccc([N+](=O)[O-])c1 ZINC000173402433 298255228 /nfs/dbraw/zinc/25/52/28/298255228.db2.gz UXIFSOZSINBNPL-SNVBAGLBSA-N 1 0 306.322 1.187 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)CN1CCOCC1 ZINC000449080991 298919313 /nfs/dbraw/zinc/91/93/13/298919313.db2.gz AVYIYPGAKZDXJQ-KGLIPLIRSA-N 1 0 307.394 1.836 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357090375 298961586 /nfs/dbraw/zinc/96/15/86/298961586.db2.gz VHEBBANZHWWBSY-STQMWFEESA-N 1 0 318.377 1.383 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1N1CCC(OCCC[NH+](C)C)CC1 ZINC000362127630 300012257 /nfs/dbraw/zinc/01/22/57/300012257.db2.gz AJYYDLXHMLXJGS-UHFFFAOYSA-N 1 0 311.386 1.265 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+](CCO)CC1CCCCC1 ZINC000362578740 300101257 /nfs/dbraw/zinc/10/12/57/300101257.db2.gz GBGHYCIIQYPOOH-UHFFFAOYSA-N 1 0 323.393 1.631 20 5 DDBDRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)Nc1cccc([N+](=O)[O-])c1 ZINC000363094693 300209588 /nfs/dbraw/zinc/20/95/88/300209588.db2.gz HJUNASPVYGGADS-KBPBESRZSA-N 1 0 320.349 1.580 20 5 DDBDRO CC(C)NC(=O)CC[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000364322583 300376074 /nfs/dbraw/zinc/37/60/74/300376074.db2.gz GRIWGSLDIYEUDT-GFCCVEGCSA-N 1 0 309.370 1.343 20 5 DDBDRO CC(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000364350383 300381871 /nfs/dbraw/zinc/38/18/71/300381871.db2.gz XTEZEFSDJIXDSR-GJZGRUSLSA-N 1 0 321.381 1.267 20 5 DDBDRO CCC[C@H](C(=O)N1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1)[NH+](C)C ZINC000364366911 300384840 /nfs/dbraw/zinc/38/48/40/300384840.db2.gz AESNPONYBJLGTP-TZMCWYRMSA-N 1 0 323.397 1.685 20 5 DDBDRO CC[C@@H](C(=O)N1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1)[NH+](C)C ZINC000368411469 301021838 /nfs/dbraw/zinc/02/18/38/301021838.db2.gz IAEKNOBUSRWOBN-YPMHNXCESA-N 1 0 309.370 1.295 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000368595222 301061100 /nfs/dbraw/zinc/06/11/00/301061100.db2.gz SIERBSLNASWEIP-QWHCGFSZSA-N 1 0 321.381 1.042 20 5 DDBDRO Cc1cccc(C(=O)N2CCC[N@@H+]([C@H](C)CO)CC2)c1[N+](=O)[O-] ZINC000368976309 301115549 /nfs/dbraw/zinc/11/55/49/301115549.db2.gz VKUPXPBBCQWQOT-CYBMUJFWSA-N 1 0 321.377 1.432 20 5 DDBDRO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000368976931 301116254 /nfs/dbraw/zinc/11/62/54/301116254.db2.gz ZVOQIXYJCRFJCJ-NGFQHRJXSA-N 1 0 319.361 1.214 20 5 DDBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@@H]1C[C@@H]1[N+](=O)[O-] ZINC000370163939 301286699 /nfs/dbraw/zinc/28/66/99/301286699.db2.gz UURHDVPYWKHEFK-OJLVUWQFSA-N 1 0 317.389 1.678 20 5 DDBDRO COc1ccc(C[NH2+][C@@H]2CC(=O)N3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000370288650 301310451 /nfs/dbraw/zinc/31/04/51/301310451.db2.gz OMQMPQYJGMOWTK-CHWSQXEVSA-N 1 0 319.361 1.846 20 5 DDBDRO O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000373065178 301657507 /nfs/dbraw/zinc/65/75/07/301657507.db2.gz FARGTESIOVGGIS-LJXRPBPOSA-N 1 0 301.346 1.818 20 5 DDBDRO COc1cc(N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)ccc1[N+](=O)[O-] ZINC000375901679 302013186 /nfs/dbraw/zinc/01/31/86/302013186.db2.gz CRIOCWMJSJGTAX-DZGCQCFKSA-N 1 0 321.377 1.639 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000094340935 302045525 /nfs/dbraw/zinc/04/55/25/302045525.db2.gz ALWACQNCIQOHCD-MNOVXSKESA-N 1 0 313.379 1.261 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000193403638 302050208 /nfs/dbraw/zinc/05/02/08/302050208.db2.gz DXANEFXUYJDBAD-ONGXEEELSA-N 1 0 313.379 1.180 20 5 DDBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3cccc([N+](=O)[O-])c3F)[C@@H]2C1 ZINC000376729421 302093328 /nfs/dbraw/zinc/09/33/28/302093328.db2.gz PXEDNAJFFKGDME-GXFFZTMASA-N 1 0 307.325 1.900 20 5 DDBDRO CO[C@@H]1C[C@@H]([NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000451497520 302399872 /nfs/dbraw/zinc/39/98/72/302399872.db2.gz MTFPVWVGBVVIKQ-ZIAGYGMSSA-N 1 0 321.377 1.961 20 5 DDBDRO CC(C)([NH3+])c1nocc1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000514678634 302738836 /nfs/dbraw/zinc/73/88/36/302738836.db2.gz DBCUYUQBUKNRSE-UHFFFAOYSA-N 1 0 318.333 1.749 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000531512087 303247993 /nfs/dbraw/zinc/24/79/93/303247993.db2.gz NFBCOXBDDAAFHA-UHFFFAOYSA-N 1 0 320.349 1.730 20 5 DDBDRO CN(CCC[NH+](C)C)C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000537213839 303372019 /nfs/dbraw/zinc/37/20/19/303372019.db2.gz WJJZOEXXRHUGPC-UHFFFAOYSA-N 1 0 309.366 1.774 20 5 DDBDRO CC[NH+]1CCC(CNC(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])CC1 ZINC000562421223 303861180 /nfs/dbraw/zinc/86/11/80/303861180.db2.gz UPSHMZMAVOLBQU-UHFFFAOYSA-N 1 0 323.397 1.903 20 5 DDBDRO [NH3+][C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)C[C@@H]1c1ccc(F)cc1 ZINC000364164731 307042501 /nfs/dbraw/zinc/04/25/01/307042501.db2.gz BSTTUAHIMLLDOI-VXGBXAGGSA-N 1 0 319.292 1.894 20 5 DDBDRO COc1cc(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000371511976 307151888 /nfs/dbraw/zinc/15/18/88/307151888.db2.gz ULRSRLPAANYTGF-QWHCGFSZSA-N 1 0 319.361 1.960 20 5 DDBDRO O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)[C@H]1C[C@H]1[N+](=O)[O-] ZINC000372658338 307172697 /nfs/dbraw/zinc/17/26/97/307172697.db2.gz YAFABQJYWLYJIZ-SOUVJXGZSA-N 1 0 303.362 1.432 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@]2(CNC(=O)O2)C1 ZINC000375556965 307228000 /nfs/dbraw/zinc/22/80/00/307228000.db2.gz JOYQBGGLQJPEIC-HNNXBMFYSA-N 1 0 305.334 1.978 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c(F)c1 ZINC000375774431 307230618 /nfs/dbraw/zinc/23/06/18/307230618.db2.gz OWPZEJWHDVBBQN-LSDHHAIUSA-N 1 0 309.341 1.769 20 5 DDBDRO Cn1ccc(N2CC[C@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2=O)n1 ZINC000375953471 307235540 /nfs/dbraw/zinc/23/55/40/307235540.db2.gz HTMPMUAOOPGMMJ-ZDUSSCGKSA-N 1 0 315.333 1.223 20 5 DDBDRO C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[C@@H]3[N+](=O)[O-])C[C@H]2[C@H]1c1ccccc1 ZINC000377824620 307276364 /nfs/dbraw/zinc/27/63/64/307276364.db2.gz UNSLJPGVCHRREJ-DGXTUMSLSA-N 1 0 315.373 1.413 20 5 DDBDRO O=C(NC[C@@H]1C[NH2+]CCCO1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000390215134 307293595 /nfs/dbraw/zinc/29/35/95/307293595.db2.gz YIHUPEDFOUURFC-LBPRGKRZSA-N 1 0 313.741 1.357 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)CCCCCO ZINC000434678091 307304030 /nfs/dbraw/zinc/30/40/30/307304030.db2.gz BYRJHZAWPUXHLX-UHFFFAOYSA-N 1 0 309.366 1.936 20 5 DDBDRO CC(C)[C@H](CO)C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000517235964 307431016 /nfs/dbraw/zinc/43/10/16/307431016.db2.gz CGCHZHJVACEJJZ-LBPRGKRZSA-N 1 0 309.366 1.778 20 5 DDBDRO Cc1ccc(NC(=O)c2c[nH]nc2[N+](=O)[O-])c(C[NH+](C)C)c1 ZINC000548741478 307790841 /nfs/dbraw/zinc/79/08/41/307790841.db2.gz KKHHYKYMTKAVQB-UHFFFAOYSA-N 1 0 303.322 1.940 20 5 DDBDRO C[C@@H]1C[C@@H](NC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)CC[NH2+]1 ZINC000557222337 307868001 /nfs/dbraw/zinc/86/80/01/307868001.db2.gz UUTQZYQHFKHLSH-YPMHNXCESA-N 1 0 318.377 1.803 20 5 DDBDRO CC[C@H](CCO)C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000563144744 307958376 /nfs/dbraw/zinc/95/83/76/307958376.db2.gz XJFXZOGCGFRGBQ-GFCCVEGCSA-N 1 0 309.366 1.922 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1CN1CCc2ccccc2[C@@H]1C[NH3+] ZINC000565421934 308030740 /nfs/dbraw/zinc/03/07/40/308030740.db2.gz IWJBCCOFKURXOW-ZDUSSCGKSA-N 1 0 301.350 1.386 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@@H]2CCC[C@H](O)C2)c1 ZINC000565893122 308038455 /nfs/dbraw/zinc/03/84/55/308038455.db2.gz WNRUSISXCNBULR-VHDGCEQUSA-N 1 0 324.377 1.475 20 5 DDBDRO CC[C@@H]1C[N@H+](C)CCN1C(=O)CCn1nc(C)c([N+](=O)[O-])c1C ZINC000567016852 308068618 /nfs/dbraw/zinc/06/86/18/308068618.db2.gz JAPAFODNMIZBCJ-CYBMUJFWSA-N 1 0 323.397 1.351 20 5 DDBDRO CC(C)[NH2+]CCCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000567829636 308096909 /nfs/dbraw/zinc/09/69/09/308096909.db2.gz AVJOUBHNIIBWCT-UHFFFAOYSA-N 1 0 323.349 1.484 20 5 DDBDRO CCCN(C(=O)c1cc([N+](=O)[O-])ccc1OC)[C@@H]1CC[NH2+]C1 ZINC000572028426 308209144 /nfs/dbraw/zinc/20/91/44/308209144.db2.gz RLOSEOPDISYGQS-GFCCVEGCSA-N 1 0 307.350 1.818 20 5 DDBDRO C[C@@H](C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)Oc1ccccc1 ZINC000574033895 308259314 /nfs/dbraw/zinc/25/93/14/308259314.db2.gz UPEHZCCUJSBVAU-GXTWGEPZSA-N 1 0 320.349 1.209 20 5 DDBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000576267939 308301714 /nfs/dbraw/zinc/30/17/14/308301714.db2.gz ONUKRHMJOVTWDZ-UHFFFAOYSA-N 1 0 311.363 1.111 20 5 DDBDRO [NH3+]CCC1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000576288385 308303784 /nfs/dbraw/zinc/30/37/84/308303784.db2.gz WNHNNOUSKKOSMU-UHFFFAOYSA-N 1 0 321.333 1.525 20 5 DDBDRO COc1cccc([N+](=O)[O-])c1NC[C@H](C)N1CC[NH+](C)CC1 ZINC000577077566 308361714 /nfs/dbraw/zinc/36/17/14/308361714.db2.gz QPUUDXYKGHGKTO-LBPRGKRZSA-N 1 0 308.382 1.651 20 5 DDBDRO CC[NH+]1CCC(CNC(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000577211113 308371308 /nfs/dbraw/zinc/37/13/08/308371308.db2.gz TYRURYUZKFPERN-UHFFFAOYSA-N 1 0 306.366 1.639 20 5 DDBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)NC1CC[NH2+]CC1 ZINC000577269234 308375191 /nfs/dbraw/zinc/37/51/91/308375191.db2.gz JSNGRFMTJPWXBS-UHFFFAOYSA-N 1 0 308.338 1.025 20 5 DDBDRO COc1cccc(C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])c1[N+](=O)[O-] ZINC000579226779 308515711 /nfs/dbraw/zinc/51/57/11/308515711.db2.gz OKSOIWMWMMPGED-ZYHUDNBSSA-N 1 0 307.350 1.851 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000382482719 325745887 /nfs/dbraw/zinc/74/58/87/325745887.db2.gz XOMGIOGIROLBDC-GHMZBOCLSA-N 1 0 313.379 1.309 20 5 DDBDRO O=C(NCC1CC[NH2+]CC1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000582116756 325973855 /nfs/dbraw/zinc/97/38/55/325973855.db2.gz AVLVFSYWAIELDS-UHFFFAOYSA-N 1 0 307.306 1.053 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H]2C[C@H]2c2ccccc2F)c1 ZINC000582840875 337207840 /nfs/dbraw/zinc/20/78/40/337207840.db2.gz OLKYADHNIZGCOQ-CORIIIEPSA-N 1 0 320.324 1.437 20 5 DDBDRO Cc1cc(NC(=O)c2c[nH]nc2[N+](=O)[O-])ccc1C[NH+](C)C ZINC000582951051 337221513 /nfs/dbraw/zinc/22/15/13/337221513.db2.gz VGIAIJNPJUVEGW-UHFFFAOYSA-N 1 0 303.322 1.940 20 5 DDBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@@H](c3nnc[nH]3)C2)cc1 ZINC000374528168 483939160 /nfs/dbraw/zinc/93/91/60/483939160.db2.gz ATYTZKUHILKRFL-GFCCVEGCSA-N 1 0 317.349 1.971 20 5 DDBDRO C[C@]1(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[NH2+]C1 ZINC000230736251 484170273 /nfs/dbraw/zinc/17/02/73/484170273.db2.gz MLXULYRCOYFKHD-NSHDSACASA-N 1 0 319.770 1.279 20 5 DDBDRO COC(=O)c1cc(C(=O)N2CCCC[C@@H]2C[NH3+])cc([N+](=O)[O-])c1 ZINC000422758181 533723258 /nfs/dbraw/zinc/72/32/58/533723258.db2.gz JDQLVZPENMCWTB-GFCCVEGCSA-N 1 0 321.333 1.335 20 5 DDBDRO COc1cc(CN2CC[N@H+](CCO)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000452136164 533810221 /nfs/dbraw/zinc/81/02/21/533810221.db2.gz XMFXCRPNSWORDN-LBPRGKRZSA-N 1 0 309.366 1.102 20 5 DDBDRO COC(=O)c1cc(NC(=O)CC2(C[NH3+])CC2)cc([N+](=O)[O-])c1 ZINC000423006004 533860762 /nfs/dbraw/zinc/86/07/62/533860762.db2.gz UBELIKPHZLSZMW-UHFFFAOYSA-N 1 0 307.306 1.449 20 5 DDBDRO C[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCCO1 ZINC000295848476 533978537 /nfs/dbraw/zinc/97/85/37/533978537.db2.gz BUQUVXZLYLVNBI-SLEUVZQESA-N 1 0 321.377 1.929 20 5 DDBDRO O=C(CC[NH2+]C1(CO)CCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000441035542 534429728 /nfs/dbraw/zinc/42/97/28/534429728.db2.gz DEHAUGBBZTUKKZ-UHFFFAOYSA-N 1 0 307.350 1.818 20 5 DDBDRO CC(C)[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000160366734 519802132 /nfs/dbraw/zinc/80/21/32/519802132.db2.gz JITTYCOZUNRPLA-KKUMJFAQSA-N 1 0 310.398 1.957 20 5 DDBDRO CN(C(=O)C[N@H+](CCCCO)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000152550971 523814005 /nfs/dbraw/zinc/81/40/05/523814005.db2.gz AAVQMOLUOZWNQO-UHFFFAOYSA-N 1 0 321.377 1.795 20 5 DDBDRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000156572536 524842438 /nfs/dbraw/zinc/84/24/38/524842438.db2.gz KKPPTQDYNIIYOS-WDEREUQCSA-N 1 0 309.370 1.112 20 5 DDBDRO CCO[C@@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H]1C ZINC000451546093 527763754 /nfs/dbraw/zinc/76/37/54/527763754.db2.gz RUWREUVSSJMUOK-IAQYHMDHSA-N 1 0 321.377 1.941 20 5 DDBDRO CC(C)c1ccc([C@H]([NH3+])CNC(=O)c2cc([N+](=O)[O-])n[nH]2)cc1 ZINC000422798390 528144351 /nfs/dbraw/zinc/14/43/51/528144351.db2.gz QXBIFSDJYYNWKX-GFCCVEGCSA-N 1 0 317.349 1.871 20 5 DDBDRO CCOc1cc(C[NH2+][C@H](C(=O)NC)C(C)C)ccc1[N+](=O)[O-] ZINC000489220300 528282669 /nfs/dbraw/zinc/28/26/69/528282669.db2.gz QLMNGVRIVGKQDS-AWEZNQCLSA-N 1 0 309.366 1.854 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000422839738 528691675 /nfs/dbraw/zinc/69/16/75/528691675.db2.gz AGRLZVGPGWGMTH-WDEREUQCSA-N 1 0 307.350 1.803 20 5 DDBDRO CC1(C)COC[C@@H]1[NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000451809694 529134055 /nfs/dbraw/zinc/13/40/55/529134055.db2.gz JUIZLHZEFJLJPN-KGLIPLIRSA-N 1 0 319.361 1.715 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C(C)(C)CN1CCOCC1 ZINC000308647380 536955697 /nfs/dbraw/zinc/95/56/97/536955697.db2.gz KSFPYVRPNGOENY-UHFFFAOYSA-N 1 0 323.393 1.804 20 5 DDBDRO C[NH+](C)[C@@H](CNc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])C1CC1 ZINC000736758374 598386437 /nfs/dbraw/zinc/38/64/37/598386437.db2.gz GRCFSBUEXFDKRF-ZDUSSCGKSA-N 1 0 317.353 1.527 20 5 DDBDRO Cc1nn(CN2CC[NH+](C3CCOCC3)CC2)c(C)c1[N+](=O)[O-] ZINC000747471504 700072117 /nfs/dbraw/zinc/07/21/17/700072117.db2.gz NZEADCMNFXWJFY-UHFFFAOYSA-N 1 0 323.397 1.162 20 5 DDBDRO CCN1CCN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC1 ZINC000193509019 697670039 /nfs/dbraw/zinc/67/00/39/697670039.db2.gz LBJMMCGIIMTSKI-UHFFFAOYSA-N 1 0 304.350 1.621 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@H](O)c2ccccc2)c1 ZINC000749644404 700175197 /nfs/dbraw/zinc/17/51/97/700175197.db2.gz FFWKWUOOPIWNJF-JKSUJKDBSA-N 1 0 302.330 1.951 20 5 DDBDRO C[NH+](C)C1CC(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000773489942 697767548 /nfs/dbraw/zinc/76/75/48/697767548.db2.gz XAQANLKDFQHGIZ-UHFFFAOYSA-N 1 0 311.769 2.000 20 5 DDBDRO NC(=O)C[C@@H]1CCCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750053817 700201423 /nfs/dbraw/zinc/20/14/23/700201423.db2.gz UPLYFANXJRGWGU-JSGCOSHPSA-N 1 0 307.350 1.358 20 5 DDBDRO C[C@@]1(C[NH3+])CCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000261842098 698440835 /nfs/dbraw/zinc/44/08/35/698440835.db2.gz QSKUEUZKLMOVHC-HOCLYGCPSA-N 1 0 318.377 1.371 20 5 DDBDRO COCC[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000786193002 699133648 /nfs/dbraw/zinc/13/36/48/699133648.db2.gz VYNCWUNIDXTWLO-CABCVRRESA-N 1 0 310.350 1.366 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000733883916 699621393 /nfs/dbraw/zinc/62/13/93/699621393.db2.gz IZODFVHZAHIYKV-LBPRGKRZSA-N 1 0 320.393 1.685 20 5 DDBDRO C[NH+](C)C[C@H]1CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000733980913 699630219 /nfs/dbraw/zinc/63/02/19/699630219.db2.gz QGRNPEMSTGLOPT-CYBMUJFWSA-N 1 0 321.377 1.774 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000742058395 699858868 /nfs/dbraw/zinc/85/88/68/699858868.db2.gz BDMDYHXZBOONGU-CHWSQXEVSA-N 1 0 319.361 1.496 20 5 DDBDRO C[N@H+](Cc1ccccc1)[C@H]1CCN(Cn2cc([N+](=O)[O-])cn2)C1 ZINC000743375606 699909893 /nfs/dbraw/zinc/90/98/93/699909893.db2.gz IUQLOXWXVRYZHP-HNNXBMFYSA-N 1 0 315.377 1.955 20 5 DDBDRO CC1(C)CN(Cc2ccc([N+](=O)[O-])c(F)c2)CC[N@@H+]1CCO ZINC000801547287 700319539 /nfs/dbraw/zinc/31/95/39/700319539.db2.gz MAUDDZNOEIVNEK-UHFFFAOYSA-N 1 0 311.357 1.622 20 5 DDBDRO C[NH+](C)C[C@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000801876537 700349984 /nfs/dbraw/zinc/34/99/84/700349984.db2.gz PSFAEWKQWOTJBY-SNVBAGLBSA-N 1 0 324.356 1.872 20 5 DDBDRO COC(=O)C[C@@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000754541723 700510138 /nfs/dbraw/zinc/51/01/38/700510138.db2.gz REZXWSYUAKWSCE-CQSZACIVSA-N 1 0 308.334 1.905 20 5 DDBDRO COC1(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000758345055 700700114 /nfs/dbraw/zinc/70/01/14/700700114.db2.gz XYSKFASXBBPBSR-AWEZNQCLSA-N 1 0 310.350 1.413 20 5 DDBDRO C[C@@H]1CN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000761082509 700841649 /nfs/dbraw/zinc/84/16/49/700841649.db2.gz QDLZHEHGUXUWGT-GFCCVEGCSA-N 1 0 306.366 1.194 20 5 DDBDRO Cc1nn(CN2CC[NH+](C3CC3)CC2)c2ccc([N+](=O)[O-])cc12 ZINC000764945995 700992273 /nfs/dbraw/zinc/99/22/73/700992273.db2.gz LOMHHKDDGUMDGM-UHFFFAOYSA-N 1 0 315.377 1.990 20 5 DDBDRO Cc1c(CO)cc([N+](=O)[O-])c(N[C@@H](C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000804855211 701216654 /nfs/dbraw/zinc/21/66/54/701216654.db2.gz OSAZORKDJBMMJA-QMMMGPOBSA-N 1 0 312.326 1.666 20 5 DDBDRO COc1ccc(C[NH2+]C[C@H](O)c2cccnc2)cc1[N+](=O)[O-] ZINC000771979402 701339134 /nfs/dbraw/zinc/33/91/34/701339134.db2.gz OBPBQFGRFUNCRW-AWEZNQCLSA-N 1 0 303.318 1.822 20 5 DDBDRO CN(C)C(=O)[C@H]1CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000839636467 701761507 /nfs/dbraw/zinc/76/15/07/701761507.db2.gz SPONLTJVRYZFJT-JSGCOSHPSA-N 1 0 307.350 1.038 20 5 DDBDRO C[N@@H+]1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)CCC1(C)C ZINC000866112942 706621991 /nfs/dbraw/zinc/62/19/91/706621991.db2.gz OHXVZNQIEUDRNR-UHFFFAOYSA-N 1 0 304.354 1.558 20 5 DDBDRO CO[C@@H]1CC[N@H+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C[C@H]1C ZINC000840123112 701981792 /nfs/dbraw/zinc/98/17/92/701981792.db2.gz KRTSZPWPDZINSY-QMTHXVAHSA-N 1 0 319.365 1.962 20 5 DDBDRO CO[C@H]1CC[N@H+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C[C@@H]1C ZINC000840123104 701981886 /nfs/dbraw/zinc/98/18/86/701981886.db2.gz KRTSZPWPDZINSY-HZMBPMFUSA-N 1 0 319.365 1.962 20 5 DDBDRO Cc1nn(CN2C[C@H]3CC[N@@H+](C)[C@H]3C2)c2ccc([N+](=O)[O-])cc12 ZINC000840134623 701989632 /nfs/dbraw/zinc/98/96/32/701989632.db2.gz YUHYEIQRXWLVIN-WBMJQRKESA-N 1 0 315.377 1.846 20 5 DDBDRO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CCC[C@H](CO)CC1)OCCO2 ZINC000816666501 702138230 /nfs/dbraw/zinc/13/82/30/702138230.db2.gz OMAUQFOCQZYDLT-LBPRGKRZSA-N 1 0 322.361 1.960 20 5 DDBDRO Cc1sc(C(=O)N2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000812321514 702147130 /nfs/dbraw/zinc/14/71/30/702147130.db2.gz DMDYEOITZNMYEA-MNOVXSKESA-N 1 0 309.391 1.988 20 5 DDBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]Cc1nnc2n1CCC2 ZINC000866224976 706653537 /nfs/dbraw/zinc/65/35/37/706653537.db2.gz KSCTYGOHIYYFMS-SNVBAGLBSA-N 1 0 319.340 1.992 20 5 DDBDRO CN(CC[NH3+])C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000841160324 702371359 /nfs/dbraw/zinc/37/13/59/702371359.db2.gz CCZSPXWUAQHKDI-UHFFFAOYSA-N 1 0 317.143 1.780 20 5 DDBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)C[C@@H](O)CO ZINC000817417829 702376419 /nfs/dbraw/zinc/37/64/19/702376419.db2.gz RQANTAJKHDDSQN-LLVKDONJSA-N 1 0 302.758 1.812 20 5 DDBDRO C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C[C@@H]1C[NH3+] ZINC000818008144 702551450 /nfs/dbraw/zinc/55/14/50/702551450.db2.gz DSJQUOTVIWYZFI-NEPJUHHUSA-N 1 0 320.393 1.718 20 5 DDBDRO Cc1cc(S(=O)(=O)N[C@@H](C)[C@H](C)[NH3+])cc([N+](=O)[O-])c1F ZINC000842882508 702786501 /nfs/dbraw/zinc/78/65/01/702786501.db2.gz QRPPQBPULQDFDA-YUMQZZPRSA-N 1 0 305.331 1.056 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@@H](CO)Cc2ccco2)c1 ZINC000843059780 702809928 /nfs/dbraw/zinc/80/99/28/702809928.db2.gz NOZGXEKNRANQIR-BLLLJJGKSA-N 1 0 320.345 1.662 20 5 DDBDRO CC[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H](O)C(F)(F)F ZINC000843090519 702816831 /nfs/dbraw/zinc/81/68/31/702816831.db2.gz YIIPTUIKWHBWPV-QJPTWQEYSA-N 1 0 322.283 1.920 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@H](O)c2ccccn2)c1 ZINC000843092753 702817578 /nfs/dbraw/zinc/81/75/78/702817578.db2.gz DQACUHKOPWMWLQ-GJZGRUSLSA-N 1 0 303.318 1.346 20 5 DDBDRO C[C@H](Cc1nc(-c2c([N+](=O)[O-])ncn2C)no1)C1CC[NH2+]CC1 ZINC000843223906 702845668 /nfs/dbraw/zinc/84/56/68/702845668.db2.gz XHXQBRSYCQKQJB-SECBINFHSA-N 1 0 320.353 1.557 20 5 DDBDRO C[NH2+][C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)C1 ZINC000843326495 702859821 /nfs/dbraw/zinc/85/98/21/702859821.db2.gz RYXQKELTLDTMPC-LLVKDONJSA-N 1 0 322.321 1.635 20 5 DDBDRO C[C@@H]1C[NH2+]C[C@H](C)N1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000843370014 702868198 /nfs/dbraw/zinc/86/81/98/702868198.db2.gz ZUKMGXRGNUEFNB-PHIMTYICSA-N 1 0 324.356 1.745 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000843463936 702887459 /nfs/dbraw/zinc/88/74/59/702887459.db2.gz KHOWYKIOBNBEPJ-KWQFWETISA-N 1 0 322.321 1.539 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)OC[C@@H]2CC[N@@H+]2C(C)(C)C)n1 ZINC000845735917 703194984 /nfs/dbraw/zinc/19/49/84/703194984.db2.gz MZWRWFVBVVNPRN-JTQLQIEISA-N 1 0 310.354 1.841 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(C[C@H](O)c3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000879580626 706727024 /nfs/dbraw/zinc/72/70/24/706727024.db2.gz IPUKDFVUHYLSFV-BMFZPTHFSA-N 1 0 305.378 1.654 20 5 DDBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@H](N)CC[NH+](C)C)CC2 ZINC000846682969 703316423 /nfs/dbraw/zinc/31/64/23/703316423.db2.gz VOZALBGXFCBKIO-GFCCVEGCSA-N 1 0 306.366 1.071 20 5 DDBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCS(=O)(=O)C1CC1 ZINC000848553076 703562636 /nfs/dbraw/zinc/56/26/36/703562636.db2.gz IAFQXOYKOSKVTD-ZDUSSCGKSA-N 1 0 310.375 1.749 20 5 DDBDRO O=C1O[C@H](C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CN1C1CC1 ZINC000848679181 703574894 /nfs/dbraw/zinc/57/48/94/703574894.db2.gz RQCCGPHNZPBXML-KGLIPLIRSA-N 1 0 321.333 1.201 20 5 DDBDRO CCO[C@@H](CNC(=O)c1ccc(F)cc1[N+](=O)[O-])C[NH+](C)C ZINC000831737499 706767109 /nfs/dbraw/zinc/76/71/09/706767109.db2.gz HZRGWANYZIZWAO-NSHDSACASA-N 1 0 313.329 1.430 20 5 DDBDRO C[C@@]1(C[NH3+])CCN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000818593580 703933489 /nfs/dbraw/zinc/93/34/89/703933489.db2.gz CVMYCILEIZPTSX-HNNXBMFYSA-N 1 0 317.349 1.142 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2C[C@@H]3CC[C@H](O)C[C@@H]3C2)cc1 ZINC000852345806 704019401 /nfs/dbraw/zinc/01/94/01/704019401.db2.gz JRWHDFDVFYUKGO-XRGAULLZSA-N 1 0 306.362 1.721 20 5 DDBDRO CC(C)N1C[C@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1=O ZINC000818996457 704047548 /nfs/dbraw/zinc/04/75/48/704047548.db2.gz QWKMTIONNIDEKF-OCCSQVGLSA-N 1 0 307.350 1.227 20 5 DDBDRO CCc1nncn1CC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819088837 704068621 /nfs/dbraw/zinc/06/86/21/704068621.db2.gz FYXOHRHJTVWFNN-ZDUSSCGKSA-N 1 0 305.338 1.072 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCOc2ncccc2F)c1 ZINC000819182432 704082880 /nfs/dbraw/zinc/08/28/80/704082880.db2.gz CKRFYEYEUXHPEC-AWEZNQCLSA-N 1 0 321.308 1.831 20 5 DDBDRO CCS(=O)(=O)CC[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000819212216 704087543 /nfs/dbraw/zinc/08/75/43/704087543.db2.gz KGOBKJLKVFQYJX-UHFFFAOYSA-N 1 0 320.798 1.815 20 5 DDBDRO CCO[C@@H]1C[C@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@@H]1OC ZINC000819226941 704090391 /nfs/dbraw/zinc/09/03/91/704090391.db2.gz MANXAJQGPYJHHC-XQLPTFJDSA-N 1 0 310.350 1.410 20 5 DDBDRO CCO[C@@H]1C[C@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)[C@H]1OC ZINC000819228697 704090707 /nfs/dbraw/zinc/09/07/07/704090707.db2.gz XCNWSGCHXKYCAT-GBJTYRQASA-N 1 0 310.350 1.410 20 5 DDBDRO O=C1[C@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H]2CCCCN12 ZINC000819359058 704112661 /nfs/dbraw/zinc/11/26/61/704112661.db2.gz SSAQMTYEPHMMDG-NWANDNLSSA-N 1 0 319.361 1.371 20 5 DDBDRO C[C@@H](C[C@H]1CCCC[N@@H+]1C)OC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000870789996 704132965 /nfs/dbraw/zinc/13/29/65/704132965.db2.gz LXJYCTUEUGYULM-NWDGAFQWSA-N 1 0 310.354 1.597 20 5 DDBDRO C/C(=C\C(=O)N[C@@H](CO)C[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000854464399 704401788 /nfs/dbraw/zinc/40/17/88/704401788.db2.gz KCWPVELHLYUVIX-RUNBWSAHSA-N 1 0 307.350 1.037 20 5 DDBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000854653366 704434485 /nfs/dbraw/zinc/43/44/85/704434485.db2.gz YOCKILQYBBXGNH-SWHYSGLUSA-N 1 0 307.350 1.179 20 5 DDBDRO C[NH+](C)CC1CN(C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C1 ZINC000854724034 704444366 /nfs/dbraw/zinc/44/43/66/704444366.db2.gz KPQAYXOXWNIAQY-UHFFFAOYSA-N 1 0 321.362 1.233 20 5 DDBDRO CCN(C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CC[N@H+](C)C1 ZINC000855360250 704480585 /nfs/dbraw/zinc/48/05/85/704480585.db2.gz DFCZGCNYHHGSFU-KBPBESRZSA-N 1 0 307.350 1.181 20 5 DDBDRO C[NH2+]CCCNC(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857762982 704621633 /nfs/dbraw/zinc/62/16/33/704621633.db2.gz KPCJQPHUUAEUMV-UHFFFAOYSA-N 1 0 303.265 1.292 20 5 DDBDRO O=C(NC1CC[NH2+]CC1)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857763259 704621789 /nfs/dbraw/zinc/62/17/89/704621789.db2.gz SBSPMLOQCYNAJV-UHFFFAOYSA-N 1 0 315.276 1.435 20 5 DDBDRO C[C@H](CCC[NH3+])NC(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857765204 704622262 /nfs/dbraw/zinc/62/22/62/704622262.db2.gz BJMXSEMFQLLTDB-SECBINFHSA-N 1 0 317.292 1.810 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCN(c3cc[nH+]c(CO)c3)CC2)cc1 ZINC000858311099 704693363 /nfs/dbraw/zinc/69/33/63/704693363.db2.gz BESVTNZRGWXQAQ-UHFFFAOYSA-N 1 0 314.345 1.809 20 5 DDBDRO C[C@H]([NH3+])CN(C)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000858641106 704738521 /nfs/dbraw/zinc/73/85/21/704738521.db2.gz ABWYUQPDBDIGNE-ZETCQYMHSA-N 1 0 307.759 1.216 20 5 DDBDRO COc1cc(NCC[N@@H+]2CC[C@H](O)C2)c([N+](=O)[O-])cc1OC ZINC000858866867 704766243 /nfs/dbraw/zinc/76/62/43/704766243.db2.gz IQFKEUJNFMSMOL-JTQLQIEISA-N 1 0 311.338 1.091 20 5 DDBDRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000874836666 705193532 /nfs/dbraw/zinc/19/35/32/705193532.db2.gz GJWXXFVAYULFIT-HUUCEWRRSA-N 1 0 303.362 1.832 20 5 DDBDRO CC[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000824002748 705352676 /nfs/dbraw/zinc/35/26/76/705352676.db2.gz HAMAOQHRSSAJGL-JTQLQIEISA-N 1 0 307.354 1.640 20 5 DDBDRO O=C(CCn1cc([N+](=O)[O-])cn1)OCC12CCC[NH+](CCC1)C2 ZINC000861359108 705445992 /nfs/dbraw/zinc/44/59/92/705445992.db2.gz VCTFDKXFRBQIBG-UHFFFAOYSA-N 1 0 322.365 1.601 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000824658083 705500762 /nfs/dbraw/zinc/50/07/62/705500762.db2.gz IHRIOANFWJBDNE-GFCCVEGCSA-N 1 0 323.397 1.336 20 5 DDBDRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)C[C@H]21 ZINC000861909527 705601307 /nfs/dbraw/zinc/60/13/07/705601307.db2.gz KRKTZVHBIMAOKV-ITGUQSILSA-N 1 0 320.305 1.135 20 5 DDBDRO C[N@H+](CCNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000825722252 705722180 /nfs/dbraw/zinc/72/21/80/705722180.db2.gz VSJFELKXXCTGTQ-OAHLLOKOSA-N 1 0 321.377 1.619 20 5 DDBDRO CC(C)[C@@H](C[NH+](C)C)NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825891915 705742719 /nfs/dbraw/zinc/74/27/19/705742719.db2.gz XKAFJGXRSNXFSW-KGLIPLIRSA-N 1 0 309.366 1.331 20 5 DDBDRO [NH3+]CCN(Cc1cn(C2CCC2)nn1)c1ccc([N+](=O)[O-])cc1 ZINC000825903702 705743585 /nfs/dbraw/zinc/74/35/85/705743585.db2.gz OWKHSJXVUZPCCD-UHFFFAOYSA-N 1 0 316.365 1.877 20 5 DDBDRO C[NH+](C)C[C@H]1CCN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000825915482 705745276 /nfs/dbraw/zinc/74/52/76/705745276.db2.gz QXQLBSPQLYJWMG-BXUZGUMPSA-N 1 0 307.350 1.038 20 5 DDBDRO C[N@@H+]1CCCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000862794085 705799632 /nfs/dbraw/zinc/79/96/32/705799632.db2.gz WHCSEKRSFCUHTG-JTQLQIEISA-N 1 0 324.356 1.778 20 5 DDBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876658488 705806338 /nfs/dbraw/zinc/80/63/38/705806338.db2.gz XKCJSPNVUVRWDQ-ZWNOBZJWSA-N 1 0 311.313 1.037 20 5 DDBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000863319842 705900069 /nfs/dbraw/zinc/90/00/69/705900069.db2.gz QBMUFEZIHUGANZ-HBIYDYFMSA-N 1 0 319.361 1.181 20 5 DDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]Cc3nccn3C(F)F)C2)c1 ZINC000876981859 705948068 /nfs/dbraw/zinc/94/80/68/705948068.db2.gz YHMADCJJUWCHKI-UHFFFAOYSA-N 1 0 312.280 1.876 20 5 DDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]CCSCCCO)C2)c1 ZINC000877014372 705959169 /nfs/dbraw/zinc/95/91/69/705959169.db2.gz XZGLGPCJBXALLC-UHFFFAOYSA-N 1 0 300.384 1.200 20 5 DDBDRO CC(C)(C)N1C[C@@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CC1=O ZINC000877082589 705978728 /nfs/dbraw/zinc/97/87/28/705978728.db2.gz YQBMTGDTRIFKHJ-CXQJBGSLSA-N 1 0 321.381 1.484 20 5 DDBDRO C[N@@H+]1CC[C@H]2CN(C(=O)COc3cccc([N+](=O)[O-])c3)CC[C@H]21 ZINC000827346625 705982193 /nfs/dbraw/zinc/98/21/93/705982193.db2.gz PSBOFNCFIKVFKU-SWLSCSKDSA-N 1 0 319.361 1.526 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000827358354 705984897 /nfs/dbraw/zinc/98/48/97/705984897.db2.gz XRYPVLAMQDANTA-RISCZKNCSA-N 1 0 304.350 1.464 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000877170523 706005495 /nfs/dbraw/zinc/00/54/95/706005495.db2.gz PWXKSNHYEYVORT-AOOOYVTPSA-N 1 0 309.297 1.076 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000877394942 706094242 /nfs/dbraw/zinc/09/42/42/706094242.db2.gz XRTAZRSAYRYVDD-DZGCQCFKSA-N 1 0 323.324 1.514 20 5 DDBDRO O=C(Cc1cccc(F)c1[N+](=O)[O-])N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000865605340 706475404 /nfs/dbraw/zinc/47/54/04/706475404.db2.gz SMVKPJRZIDHRHP-CYBMUJFWSA-N 1 0 321.352 1.877 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1OS(=O)(=O)CCC[NH+](C)C ZINC000867011335 706871700 /nfs/dbraw/zinc/87/17/00/706871700.db2.gz NSPQLPRXCJPTAC-UHFFFAOYSA-N 1 0 302.352 1.564 20 5 DDBDRO C[N@@H+]1CCN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])C(C)(C)C1 ZINC000867123252 706903560 /nfs/dbraw/zinc/90/35/60/706903560.db2.gz YMIOZFULWYXHCK-UHFFFAOYSA-N 1 0 309.341 1.829 20 5 DDBDRO COc1ccc(C[N@@H+](C)[C@@H]2CCOC[C@H]2OC)cc1[N+](=O)[O-] ZINC000880425585 706970409 /nfs/dbraw/zinc/97/04/09/706970409.db2.gz GHAWSLYHBHVUPG-IUODEOHRSA-N 1 0 310.350 1.839 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC=C[C@@H]1CO ZINC000880490414 706992676 /nfs/dbraw/zinc/99/26/76/706992676.db2.gz QLSRBPKTHHPUAS-CYBMUJFWSA-N 1 0 305.334 1.465 20 5 DDBDRO CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000834640622 707097552 /nfs/dbraw/zinc/09/75/52/707097552.db2.gz AFTRTEYTOXUBLX-NOZJJQNGSA-N 1 0 322.321 1.702 20 5 DDBDRO O=C(N[C@@H]1C[NH2+]CCC1(F)F)c1cccc(Cl)c1[N+](=O)[O-] ZINC000834846412 707136942 /nfs/dbraw/zinc/13/69/42/707136942.db2.gz VPNPNHHNXBICOB-SECBINFHSA-N 1 0 319.695 1.975 20 5 DDBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCOCCO ZINC000872018804 707281508 /nfs/dbraw/zinc/28/15/08/707281508.db2.gz PTHUXYHCQKFGAG-JTQLQIEISA-N 1 0 300.380 1.976 20 5 DDBDRO COc1ccc(OCCN2C[C@@H]3C[NH2+]C[C@]3(C)C2)c([N+](=O)[O-])c1 ZINC000872154074 707307746 /nfs/dbraw/zinc/30/77/46/707307746.db2.gz SVHZLAQKSMJPHZ-BLLLJJGKSA-N 1 0 321.377 1.524 20 5 DDBDRO CS[C@H]1CN(c2ccnc(F)c2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000882136751 707513030 /nfs/dbraw/zinc/51/30/30/707513030.db2.gz QOERRLPLMYCSDX-ZJUUUORDSA-N 1 0 300.359 1.611 20 5 DDBDRO CC[N@@H+]1CC[C@H]1CNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000882482576 707653441 /nfs/dbraw/zinc/65/34/41/707653441.db2.gz RZPZWZJWYIJTRY-LBPRGKRZSA-N 1 0 306.366 1.607 20 5 DDBDRO Cc1c(C[NH2+]C[C@@H]2CN(C3CC3)C(=O)O2)cccc1[N+](=O)[O-] ZINC000873132865 707743770 /nfs/dbraw/zinc/74/37/70/707743770.db2.gz IPQPSJOHPAPYPQ-CYBMUJFWSA-N 1 0 305.334 1.976 20 5 DDBDRO Cc1nn(C)c(N2CCN(c3cc[nH+]cc3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000882822212 707809216 /nfs/dbraw/zinc/80/92/16/707809216.db2.gz YOQFQGWGYWYSQM-NSHDSACASA-N 1 0 316.365 1.747 20 5 DDBDRO CCN1CC[C@@H]1C[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000883353813 707982985 /nfs/dbraw/zinc/98/29/85/707982985.db2.gz DXMQUAORUMOIJM-IUODEOHRSA-N 1 0 320.393 1.996 20 5 DDBDRO Cc1nc(N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)ccc1[N+](=O)[O-] ZINC000897221119 708258722 /nfs/dbraw/zinc/25/87/22/708258722.db2.gz HLOXKMMTJRIJSF-KBPBESRZSA-N 1 0 306.366 1.334 20 5 DDBDRO O=[N+]([O-])c1ncccc1CN1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000885985951 708676311 /nfs/dbraw/zinc/67/63/11/708676311.db2.gz VJCDJOWUYUPUFX-ZIAGYGMSSA-N 1 0 306.366 1.021 20 5 DDBDRO C[N@@H+]1CCC[C@H](N2CCN(Cc3cccnc3[N+](=O)[O-])CC2)C1 ZINC000886067791 708691957 /nfs/dbraw/zinc/69/19/57/708691957.db2.gz OXGMZINZUUOLIQ-HNNXBMFYSA-N 1 0 319.409 1.202 20 5 DDBDRO O=[N+]([O-])c1ncccc1CN1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000886285641 708735810 /nfs/dbraw/zinc/73/58/10/708735810.db2.gz OQXSUKGFQBRCLE-CQSZACIVSA-N 1 0 306.366 1.021 20 5 DDBDRO O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CC([NH+]2CCCC2)C1 ZINC000898613320 708811737 /nfs/dbraw/zinc/81/17/37/708811737.db2.gz CALQOVOYNJLSRI-UHFFFAOYSA-N 1 0 314.345 1.996 20 5 DDBDRO CCN(CCC(=O)Nc1cccc([N+](=O)[O-])c1C)[C@@H]1CC[NH2+]C1 ZINC000886854446 708864873 /nfs/dbraw/zinc/86/48/73/708864873.db2.gz OXSURWMPGCSGLZ-CYBMUJFWSA-N 1 0 320.393 1.916 20 5 DDBDRO CCN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@@H]1CC[NH2+]C1 ZINC000886854529 708865113 /nfs/dbraw/zinc/86/51/13/708865113.db2.gz RUNSHUHXJIEQQL-CQSZACIVSA-N 1 0 320.393 1.916 20 5 DDBDRO C[NH2+]C1(CNC(=O)CCc2cc(F)ccc2[N+](=O)[O-])CCC1 ZINC000899150563 709001272 /nfs/dbraw/zinc/00/12/72/709001272.db2.gz KNJYJSQFCVMHGH-UHFFFAOYSA-N 1 0 309.341 1.925 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC([NH+]3CCC3)CC2)c1 ZINC000912880967 713113652 /nfs/dbraw/zinc/11/36/52/713113652.db2.gz KYQIUOMOOQJLSI-UHFFFAOYSA-N 1 0 319.361 1.914 20 5 DDBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912928340 713127088 /nfs/dbraw/zinc/12/70/88/713127088.db2.gz IIFBIAIOLSQEMJ-SZTZYQKNSA-N 1 0 301.346 1.915 20 5 DDBDRO C[C@@H](NC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc([N+](=O)[O-])c1 ZINC000891381364 710179892 /nfs/dbraw/zinc/17/98/92/710179892.db2.gz IWYJOZXTURAWBK-RTXFEEFZSA-N 1 0 304.350 1.802 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1NCC[N@@H+]1CCc2ccccc2C1 ZINC000891715832 710273761 /nfs/dbraw/zinc/27/37/61/710273761.db2.gz HTQINDMGDQOVLD-UHFFFAOYSA-N 1 0 301.350 1.799 20 5 DDBDRO C[C@H]1CC[N@H+](CCNC(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000893266468 710583173 /nfs/dbraw/zinc/58/31/73/710583173.db2.gz RDDPMBWBZVTTQQ-ZDUSSCGKSA-N 1 0 320.393 1.778 20 5 DDBDRO COc1c[nH+]ccc1N1CCN(c2c([N+](=O)[O-])cnn2C)CC1 ZINC000893634394 710757142 /nfs/dbraw/zinc/75/71/42/710757142.db2.gz AZJFDNVSBFDMKK-UHFFFAOYSA-N 1 0 318.337 1.059 20 5 DDBDRO CC(C)Oc1nc(N2CC[C@@H]3C[N@H+](C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000893933532 710891650 /nfs/dbraw/zinc/89/16/50/710891650.db2.gz AQNYLQMMVITDOE-DGCLKSJQSA-N 1 0 306.366 1.917 20 5 DDBDRO O=C(CCc1cc(F)ccc1[N+](=O)[O-])NC[C@@H]1CCC[NH2+]C1 ZINC000911708026 710941512 /nfs/dbraw/zinc/94/15/12/710941512.db2.gz SGWYZPOUNFXKMO-LLVKDONJSA-N 1 0 309.341 1.782 20 5 DDBDRO C[C@H]1CN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000911795725 710995166 /nfs/dbraw/zinc/99/51/66/710995166.db2.gz KULZLMIWAYVOGC-QWRGUYRKSA-N 1 0 309.341 1.875 20 5 DDBDRO CN(CC[N@H+](C)CCO)c1ncc([N+](=O)[O-])c2ccccc21 ZINC000894590499 711198436 /nfs/dbraw/zinc/19/84/36/711198436.db2.gz CQGRFECCARESIB-UHFFFAOYSA-N 1 0 304.350 1.503 20 5 DDBDRO C[NH2+]CCN(C(C)C)S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000903589407 711212567 /nfs/dbraw/zinc/21/25/67/711212567.db2.gz BILSYFRFYUARKD-UHFFFAOYSA-N 1 0 315.395 1.522 20 5 DDBDRO CN(CCOc1ccccc1[N+](=O)[O-])C1(C[NH3+])CCOCC1 ZINC000903807674 711286723 /nfs/dbraw/zinc/28/67/23/711286723.db2.gz OIHAVTQUIFHOBA-UHFFFAOYSA-N 1 0 309.366 1.413 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC[C@@]23CC[NH2+]C3)c1 ZINC000903869061 711309386 /nfs/dbraw/zinc/30/93/86/711309386.db2.gz AHBZRWWXGOCKKO-ZBFHGGJFSA-N 1 0 321.377 1.162 20 5 DDBDRO Cc1cc(N2CC[NH+](CCCCCO)CC2)ncc1[N+](=O)[O-] ZINC000894964490 711341983 /nfs/dbraw/zinc/34/19/83/711341983.db2.gz SDWWOYOMMPTWDU-UHFFFAOYSA-N 1 0 308.382 1.583 20 5 DDBDRO C[NH+](C)C[C@]1(O)CCN(c2ccc([N+](=O)[O-])c3cccnc32)C1 ZINC000895008873 711364692 /nfs/dbraw/zinc/36/46/92/711364692.db2.gz HFMCZMJWNGNQHG-MRXNPFEDSA-N 1 0 316.361 1.646 20 5 DDBDRO CCn1nc(C)c([N+](=O)[O-])c1N[C@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC000895246341 711463856 /nfs/dbraw/zinc/46/38/56/711463856.db2.gz NBFHJVGEASGMPJ-PWSUYJOCSA-N 1 0 310.402 1.166 20 5 DDBDRO COc1cc(CN2C[C@@H]3CC[NH2+]C[C@@H]3C2)c([N+](=O)[O-])cc1OC ZINC000904420853 711855975 /nfs/dbraw/zinc/85/59/75/711855975.db2.gz INWZUTFEXUDQEM-WCQYABFASA-N 1 0 321.377 1.653 20 5 DDBDRO COC[C@H]1C[NH2+]CCN1C(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000904443288 711859553 /nfs/dbraw/zinc/85/95/53/711859553.db2.gz FULAYGLKEUASAV-GFCCVEGCSA-N 1 0 322.365 1.664 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]3C[N@@H+](C)C[C@@H]32)c1C ZINC000908347226 712748115 /nfs/dbraw/zinc/74/81/15/712748115.db2.gz KRPHHXCWHVBQRK-JSGCOSHPSA-N 1 0 303.362 1.988 20 5 DDBDRO Cc1ccc(CNC(=O)C2CC[NH+](CC[N+](=O)[O-])CC2)cc1 ZINC000929773073 713687780 /nfs/dbraw/zinc/68/77/80/713687780.db2.gz SNRALLKFVJHAKI-UHFFFAOYSA-N 1 0 305.378 1.600 20 5 DDBDRO C[N@H+]1C[C@H]2CC[C@@H](C1)N2CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000931393145 714082840 /nfs/dbraw/zinc/08/28/40/714082840.db2.gz DKJNWPQPRZUAON-GASCZTMLSA-N 1 0 318.377 1.702 20 5 DDBDRO O=[N+]([O-])c1ncccc1CN1CC[NH+](CCCCCO)CC1 ZINC000931492932 714110991 /nfs/dbraw/zinc/11/09/91/714110991.db2.gz QYJRWUARZBRUDU-UHFFFAOYSA-N 1 0 308.382 1.270 20 5 DDBDRO C[C@@H]([NH2+]CCCS(=O)(=O)N(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000932181075 714280621 /nfs/dbraw/zinc/28/06/21/714280621.db2.gz ZGBUYCQCDFKLHP-LLVKDONJSA-N 1 0 315.395 1.527 20 5 DDBDRO C[C@@H]1CN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000923288137 714298504 /nfs/dbraw/zinc/29/85/04/714298504.db2.gz ZQOPOLUQTXGOMM-XQQFMLRXSA-N 1 0 309.366 1.017 20 5 DDBDRO C[C@@H]1[C@H](C)[NH2+]CCN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000923345591 714321691 /nfs/dbraw/zinc/32/16/91/714321691.db2.gz LVNUDUDVOFTMLV-YNEHKIRRSA-N 1 0 309.366 1.017 20 5 DDBDRO C[C@H]1COC[C@@H]1[NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000932493551 714345691 /nfs/dbraw/zinc/34/56/91/714345691.db2.gz HUTLBEAXRAVMAU-KWQFWETISA-N 1 0 313.741 1.811 20 5 DDBDRO CC1(C)CC[NH2+]CCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000923416191 714348875 /nfs/dbraw/zinc/34/88/75/714348875.db2.gz UHAWMXRHEURWJW-CQSZACIVSA-N 1 0 323.393 1.408 20 5 DDBDRO COc1ccc(C[NH2+][C@@H](C)C[C@H]2CCC(=O)N2)cc1[N+](=O)[O-] ZINC000924842632 714676822 /nfs/dbraw/zinc/67/68/22/714676822.db2.gz SPEAWGQXVYVROR-CMPLNLGQSA-N 1 0 307.350 1.750 20 5 DDBDRO O=[N+]([O-])c1ccc(CN2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)cc1 ZINC000934255065 714775814 /nfs/dbraw/zinc/77/58/14/714775814.db2.gz OJJICVSFFDOSSH-HOTGVXAUSA-N 1 0 305.378 1.626 20 5 DDBDRO O=[N+]([O-])c1cnc(N2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)c(F)c1 ZINC001164966775 722070693 /nfs/dbraw/zinc/07/06/93/722070693.db2.gz BVOLHDAXIPRXOO-BETUJISGSA-N 1 0 322.340 1.428 20 5 DDBDRO COCCN(CC1CC[NH+](C)CC1)c1cc(N)c([N+](=O)[O-])cn1 ZINC001120951674 782252791 /nfs/dbraw/zinc/25/27/91/782252791.db2.gz XFVRUVPUJBDVSN-UHFFFAOYSA-N 1 0 323.397 1.367 20 5 DDBDRO O=C(NCC[NH2+]Cc1ccc(Cl)s1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126932088 742776057 /nfs/dbraw/zinc/77/60/57/742776057.db2.gz HVZRBDLIFNSMBR-RKDXNWHRSA-N 1 0 303.771 1.273 20 5 DDBDRO O=C(CCOCC1CC1)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001127072735 743703297 /nfs/dbraw/zinc/70/32/97/743703297.db2.gz NHKFRFXLWYBNOQ-UHFFFAOYSA-N 1 0 321.377 1.617 20 5 DDBDRO O=C(NCC1C[NH+](C/C=C/c2ccccc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001031661985 747336707 /nfs/dbraw/zinc/33/67/07/747336707.db2.gz QAWCPBKQZNXLEM-KEMBLGFASA-N 1 0 315.373 1.413 20 5 DDBDRO CCOCCCC(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001123992580 747348876 /nfs/dbraw/zinc/34/88/76/747348876.db2.gz RCLJCRGDNXQMIA-UHFFFAOYSA-N 1 0 309.366 1.617 20 5 DDBDRO COc1cc(C[NH2+]C[C@@H]2CCC[C@@H](O)C2)c([N+](=O)[O-])cc1O ZINC001200691772 748321428 /nfs/dbraw/zinc/32/14/28/748321428.db2.gz HEWPVZFYRDEGRN-ZYHUDNBSSA-N 1 0 310.350 1.950 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])cc(-n2cc3c(n2)CC[C@H]([NH3+])C3)c1 ZINC001168820802 762050938 /nfs/dbraw/zinc/05/09/38/762050938.db2.gz LPPFARMBXVGFLP-NSHDSACASA-N 1 0 316.317 1.383 20 5 DDBDRO [NH3+]Cc1ccc2ncn(-c3ccc([N+](=O)[O-])c4c3CNC4=O)c2c1 ZINC001168846626 762081989 /nfs/dbraw/zinc/08/19/89/762081989.db2.gz RBHRNPVYVXSHFW-UHFFFAOYSA-N 1 0 323.312 1.636 20 5 DDBDRO Cc1cc(-n2nnnc2C[NH3+])c([N+](=O)[O-])cc1Br ZINC001168924116 762129533 /nfs/dbraw/zinc/12/95/33/762129533.db2.gz IUIXIBXCRQVWBS-UHFFFAOYSA-N 1 0 313.115 1.100 20 5 DDBDRO CC(C)(C)OC(=O)N1CC(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168956219 762153837 /nfs/dbraw/zinc/15/38/37/762153837.db2.gz AHXYZNXFQUKOOA-YPMHNXCESA-N 1 0 313.398 1.888 20 5 DDBDRO [NH3+]CC1(N(Cc2ccccc2)[C@H]2CC[C@@H](C[N+](=O)[O-])C2)COC1 ZINC001168967187 762158554 /nfs/dbraw/zinc/15/85/54/762158554.db2.gz NZWNJWJCHKNPDA-CVEARBPZSA-N 1 0 319.405 1.662 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CCC2CCS(=O)(=O)CC2)C1 ZINC001168970652 762160508 /nfs/dbraw/zinc/16/05/08/762160508.db2.gz HZQJOFCQXYGPAV-CHWSQXEVSA-N 1 0 304.412 1.236 20 5 DDBDRO O=C(C[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)NCc1ccc(F)cc1 ZINC001168993542 762167160 /nfs/dbraw/zinc/16/71/60/762167160.db2.gz NAVBKQFKQNGWLY-OCCSQVGLSA-N 1 0 309.341 1.477 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2cn(Cc3ccccn3)cn2)C1 ZINC001169000885 762171810 /nfs/dbraw/zinc/17/18/10/762171810.db2.gz ZCACOHBMBRFDPC-ZIAGYGMSSA-N 1 0 315.377 1.861 20 5 DDBDRO O=C(c1ccccc1)N1CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169006914 762174936 /nfs/dbraw/zinc/17/49/36/762174936.db2.gz KDSGYJVLWAMQEP-ZBFHGGJFSA-N 1 0 317.389 1.890 20 5 DDBDRO O=C(NC1CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1)C1CCC1 ZINC001169027436 762184684 /nfs/dbraw/zinc/18/46/84/762184684.db2.gz PPBLHNBOEVNFLF-WFASDCNBSA-N 1 0 309.410 1.813 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])c(Cl)cc1-n1c(C)cnc1C[NH3+] ZINC001169031131 762187561 /nfs/dbraw/zinc/18/75/61/762187561.db2.gz XYYNDTAKHIZQNK-UHFFFAOYSA-N 1 0 324.724 1.988 20 5 DDBDRO CCOC(=O)N1CCC([N@H+](C)[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169038632 762193504 /nfs/dbraw/zinc/19/35/04/762193504.db2.gz JMBWXFDHYSRBNK-TZMCWYRMSA-N 1 0 313.398 1.985 20 5 DDBDRO COc1cccnc1N1CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169040190 762195017 /nfs/dbraw/zinc/19/50/17/762195017.db2.gz YPIAALPEGWSNQR-KBPBESRZSA-N 1 0 320.393 1.658 20 5 DDBDRO COc1cc(O[C@@H]2CC[N@@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)ccn1 ZINC001169056367 762211195 /nfs/dbraw/zinc/21/11/95/762211195.db2.gz SLESEXBMHIKDRB-UMVBOHGHSA-N 1 0 321.377 1.989 20 5 DDBDRO CCN1CC2(CC1=O)CC[NH+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169057930 762212225 /nfs/dbraw/zinc/21/22/25/762212225.db2.gz ZBQGNUSNYYFZLB-ZIAGYGMSSA-N 1 0 309.410 1.766 20 5 DDBDRO [NH3+][C@@H](CO)Cc1cncn1-c1ccnc2c1cccc2[N+](=O)[O-] ZINC001169074789 762222215 /nfs/dbraw/zinc/22/22/15/762222215.db2.gz OCHHIOLBZCIAAY-SNVBAGLBSA-N 1 0 313.317 1.191 20 5 DDBDRO C[C@H]([NH3+])c1ccn(-c2cc([N+](=O)[O-])cc(Br)n2)n1 ZINC001169231942 762293208 /nfs/dbraw/zinc/29/32/08/762293208.db2.gz WXQRMTYDIGLZKU-LURJTMIESA-N 1 0 312.127 1.958 20 5 DDBDRO CC(C)(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001017544081 758011665 /nfs/dbraw/zinc/01/16/65/758011665.db2.gz KFJNDZJEHHTEQT-XJFOESAGSA-N 1 0 309.410 1.763 20 5 DDBDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000826882877 759424861 /nfs/dbraw/zinc/42/48/61/759424861.db2.gz PEURJGHBUGAAJP-GZBFAFLISA-N 1 0 321.377 1.617 20 5 DDBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000828136908 759497538 /nfs/dbraw/zinc/49/75/38/759497538.db2.gz OBRRBVRZCBMHPJ-LLVKDONJSA-N 1 0 307.325 1.963 20 5 DDBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccc(Cl)nc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001020139332 760613970 /nfs/dbraw/zinc/61/39/70/760613970.db2.gz YAHMUJIAOVBVOF-DDHJBXDOSA-N 1 0 324.768 1.137 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@@H](CNC(=O)C2CCC2)C1 ZINC001086010488 760707485 /nfs/dbraw/zinc/70/74/85/760707485.db2.gz FPGKQZZNZADXEE-KLPPZKSPSA-N 1 0 321.381 1.113 20 5 DDBDRO Cc1cccc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c1 ZINC001086363290 761493062 /nfs/dbraw/zinc/49/30/62/761493062.db2.gz MATZITRMXOLEOR-KLHDSHLOSA-N 1 0 317.389 1.645 20 5 DDBDRO O=[N+]([O-])c1c(NCCc2cncs2)ncnc1C1C[NH2+]C1 ZINC001169863560 762725763 /nfs/dbraw/zinc/72/57/63/762725763.db2.gz MOHGBESIOAJTSY-UHFFFAOYSA-N 1 0 306.351 1.183 20 5 DDBDRO C[C@H](Nc1cc2cccnc2c([N+](=O)[O-])c1)[C@@H]1C[NH2+]CCO1 ZINC001170567282 768176030 /nfs/dbraw/zinc/17/60/30/768176030.db2.gz CQKWVISSWFGZTE-HZMBPMFUSA-N 1 0 302.334 1.932 20 5 DDBDRO CCOC(=O)c1cccc([N+](=O)[O-])c1NC[C@H]1COCC[NH2+]1 ZINC001170045420 764369643 /nfs/dbraw/zinc/36/96/43/764369643.db2.gz UKMKWEHPOPXWDA-JTQLQIEISA-N 1 0 309.322 1.172 20 5 DDBDRO COc1ccc(C[C@H](C)[NH2+]CCCn2cncn2)c([N+](=O)[O-])c1 ZINC001170322469 766252228 /nfs/dbraw/zinc/25/22/28/766252228.db2.gz HICSSHHGQKVJIJ-LBPRGKRZSA-N 1 0 319.365 1.806 20 5 DDBDRO CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[NH+](Cc2ccsc2)CC1 ZINC001045437642 766306455 /nfs/dbraw/zinc/30/64/55/766306455.db2.gz WQKOFXAPABEFLZ-CHWSQXEVSA-N 1 0 323.418 1.884 20 5 DDBDRO CCOC(=O)C1=C(Nc2cccc(OC)c2[N+](=O)[O-])CC[NH2+]C1 ZINC001170517211 767754093 /nfs/dbraw/zinc/75/40/93/767754093.db2.gz LQSHTNCVUWYHCF-UHFFFAOYSA-N 1 0 321.333 1.826 20 5 DDBDRO CO[C@@H]1CN(C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)C[C@@H]1[NH3+] ZINC001158705483 769180674 /nfs/dbraw/zinc/18/06/74/769180674.db2.gz MWFLHDQIOVYQIP-POYBYMJQSA-N 1 0 322.699 1.350 20 5 DDBDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001136189442 771913671 /nfs/dbraw/zinc/91/36/71/771913671.db2.gz SJWQBAIJNIAINF-JTQLQIEISA-N 1 0 307.354 1.176 20 5 DDBDRO CN(CC1CC[NH+](C)CC1)C(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001136679688 772084199 /nfs/dbraw/zinc/08/41/99/772084199.db2.gz ADCVZMFBPYDGFY-UHFFFAOYSA-N 1 0 315.761 1.385 20 5 DDBDRO Cc1conc1C(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001146833661 772960313 /nfs/dbraw/zinc/96/03/13/772960313.db2.gz JIJKOKDUWLFNLQ-UHFFFAOYSA-N 1 0 310.335 1.472 20 5 DDBDRO Cc1cc(NCCNC(=O)C[N@@H+](C)C(C)C)ncc1[N+](=O)[O-] ZINC001093674053 774989020 /nfs/dbraw/zinc/98/90/20/774989020.db2.gz LWFSVPRRILUITB-UHFFFAOYSA-N 1 0 309.370 1.167 20 5 DDBDRO CC(C)(C(=O)NCCNc1ccc([N+](=O)[O-])cc1)[NH+]1CCCC1 ZINC001094033410 775358218 /nfs/dbraw/zinc/35/82/18/775358218.db2.gz MMOHYYNCUPKAPC-UHFFFAOYSA-N 1 0 320.393 1.997 20 5 DDBDRO Cc1nc(N(C)CCNC(=O)C[N@@H+](C)C(C)C)ccc1[N+](=O)[O-] ZINC001100149803 775735168 /nfs/dbraw/zinc/73/51/68/775735168.db2.gz QPXAVAIAUDGFNE-UHFFFAOYSA-N 1 0 323.397 1.191 20 5 DDBDRO CCN(CCNC(=O)CC[N@H+](C)CC)c1ncccc1[N+](=O)[O-] ZINC001100607394 776359381 /nfs/dbraw/zinc/35/93/81/776359381.db2.gz YQFIJCKILGYJGO-UHFFFAOYSA-N 1 0 323.397 1.274 20 5 DDBDRO CCN(CCNC(=O)CC[NH+](C)C)c1ccc(C)cc1[N+](=O)[O-] ZINC001100700638 776451177 /nfs/dbraw/zinc/45/11/77/776451177.db2.gz ABRANALFWLNGOB-UHFFFAOYSA-N 1 0 322.409 1.797 20 5 DDBDRO O=C1C[C@H](C[NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCN1 ZINC001172896699 776928889 /nfs/dbraw/zinc/92/88/89/776928889.db2.gz RHDIVAMLJCACMJ-IUODEOHRSA-N 1 0 317.389 1.958 20 5 DDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001173218515 777050688 /nfs/dbraw/zinc/05/06/88/777050688.db2.gz PQXROFIHPUJPIJ-YPMHNXCESA-N 1 0 312.391 1.550 20 5 DDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C[C@@H](O)CO)C(C)(C)C ZINC001173222150 777055143 /nfs/dbraw/zinc/05/51/43/777055143.db2.gz PNQWIGZJUBOLLT-IUODEOHRSA-N 1 0 310.394 1.980 20 5 DDBDRO COC(=O)CO[C@H]1CC[N@@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173232453 777063528 /nfs/dbraw/zinc/06/35/28/777063528.db2.gz BLYAJHCEVDEJJQ-DOMZBBRYSA-N 1 0 322.361 1.790 20 5 DDBDRO CC[N@@H+]1C[C@@H](NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C(C)(C)C1 ZINC001178860599 779214466 /nfs/dbraw/zinc/21/44/66/779214466.db2.gz GFNDWRYQWJKZDM-LLVKDONJSA-N 1 0 308.338 1.156 20 5 DDBDRO CC[C@@H]([NH3+])C(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC001119317321 781403253 /nfs/dbraw/zinc/40/32/53/781403253.db2.gz XIQHNOQDYDRBHB-SECBINFHSA-N 1 0 316.155 1.711 20 5 DDBDRO C[NH2+]CC(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC001119375548 781427086 /nfs/dbraw/zinc/42/70/86/781427086.db2.gz SHLBGPVYBMQGNT-UHFFFAOYSA-N 1 0 302.128 1.193 20 5 DDBDRO [NH3+]Cc1cn(-c2cc3ncnc(Cl)c3cc2[N+](=O)[O-])cn1 ZINC001154907173 861560012 /nfs/dbraw/zinc/56/00/12/861560012.db2.gz WQWOCXSLMMZFKO-UHFFFAOYSA-N 1 0 304.697 1.836 20 5 DDBDRO C[NH+](C)C[C@@H]1COCCN1c1cnc2ccc([N+](=O)[O-])cc2n1 ZINC001154966472 861606645 /nfs/dbraw/zinc/60/66/45/861606645.db2.gz AZULXDJKTPBPKW-GFCCVEGCSA-N 1 0 317.349 1.305 20 5 DDBDRO C[NH+](C)C[C@@H]1COCCN1c1ccc2cccc([N+](=O)[O-])c2n1 ZINC001154966893 861607463 /nfs/dbraw/zinc/60/74/63/861607463.db2.gz FEAHGWVRSXZWLW-CYBMUJFWSA-N 1 0 316.361 1.910 20 5 DDBDRO Cc1ccc(CNc2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)cn1 ZINC001155320388 861957492 /nfs/dbraw/zinc/95/74/92/861957492.db2.gz JZYBNTMUXQUMTG-UHFFFAOYSA-N 1 0 300.322 1.387 20 5 DDBDRO COC(=O)[C@@H](Nc1ncc([N+](=O)[O-])c2ccccc12)C(C)(C)[NH3+] ZINC001155369238 862003028 /nfs/dbraw/zinc/00/30/28/862003028.db2.gz RHKKMYYHFGUVPG-GFCCVEGCSA-N 1 0 318.333 1.834 20 5 DDBDRO O=[N+]([O-])c1cc2ccccc2nc1N[C@@H]1C[NH2+][C@@H]2COC[C@H]12 ZINC001155506111 862172447 /nfs/dbraw/zinc/17/24/47/862172447.db2.gz RQBTUXOJSAEXOB-RAIGVLPGSA-N 1 0 300.318 1.542 20 5 DDBDRO COc1nc(NC[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)ccc1[N+](=O)[O-] ZINC001155591930 862266260 /nfs/dbraw/zinc/26/62/60/862266260.db2.gz LGVNTGZVYAHNBI-XHDPSFHLSA-N 1 0 322.365 1.569 20 5 DDBDRO COc1nc(C)c([N+](=O)[O-])c(N[C@H]2CCO[C@]3(CC[NH2+]C3)C2)n1 ZINC001155619808 862300859 /nfs/dbraw/zinc/30/08/59/862300859.db2.gz ITXAZSXDTCCIDB-IINYFYTJSA-N 1 0 323.353 1.025 20 5 DDBDRO CN(C)/C=C/c1cc(N[C@H]2C[NH2+][C@@H]3CCO[C@@H]32)ncc1[N+](=O)[O-] ZINC001155638171 862322892 /nfs/dbraw/zinc/32/28/92/862322892.db2.gz FYKXMXYVJBSRSO-JIPNVDSNSA-N 1 0 319.365 1.063 20 5 DDBDRO Cc1ccnc(N(C)CCCNC(=O)CC[NH+](C)C)c1[N+](=O)[O-] ZINC001095732204 855181382 /nfs/dbraw/zinc/18/13/82/855181382.db2.gz OTKIHNUYANMXIO-UHFFFAOYSA-N 1 0 323.397 1.192 20 5 DDBDRO CCn1c(C[N+](=O)[O-])nnc1N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@@H]2C1 ZINC001121791971 858596953 /nfs/dbraw/zinc/59/69/53/858596953.db2.gz PFINGAMIHAJJDF-YNEHKIRRSA-N 1 0 322.413 1.241 20 5 DDBDRO CCn1c([C@@H](C)[N+](=O)[O-])nnc1N1CCC(CC)([NH+](C)C)CC1 ZINC001121794435 858598871 /nfs/dbraw/zinc/59/88/71/858598871.db2.gz ZLXIBRPYVIZWEP-GFCCVEGCSA-N 1 0 324.429 1.946 20 5 DDBDRO COc1ccc(C(=O)N2C[C@@H](C)[C@H](CC[NH3+])C2)cc1[N+](=O)[O-] ZINC001122153317 858697696 /nfs/dbraw/zinc/69/76/96/858697696.db2.gz LBHQEAPDGGSVDM-ZYHUDNBSSA-N 1 0 307.350 1.660 20 5 DDBDRO COc1cc(C(=O)N2C[C@H]([NH3+])C(C)(C)C2)cc([N+](=O)[O-])c1C ZINC001122163038 858700031 /nfs/dbraw/zinc/70/00/31/858700031.db2.gz NYSWCHVNJYSHEL-ZDUSSCGKSA-N 1 0 307.350 1.721 20 5 DDBDRO CC(C)(C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC001122216155 858716919 /nfs/dbraw/zinc/71/69/19/858716919.db2.gz KMJACWZYDFBZIA-QWHCGFSZSA-N 1 0 317.389 1.940 20 5 DDBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N1CCC[C@@]12CC[NH2+]C2 ZINC001122324205 858752607 /nfs/dbraw/zinc/75/26/07/858752607.db2.gz LWBFTEZKOPTEFG-INIZCTEOSA-N 1 0 318.377 1.751 20 5 DDBDRO C[C@H](NC(=O)[C@@H]1C[N@@H+]2CCN1C[C@@H]2C)c1ccc([N+](=O)[O-])cc1 ZINC001124020136 859530142 /nfs/dbraw/zinc/53/01/42/859530142.db2.gz OOAJUAZQBRSMDJ-HUBLWGQQSA-N 1 0 318.377 1.160 20 5 DDBDRO O=C(NCC[NH2+]Cc1ccccc1[N+](=O)[O-])C1=COCCC1 ZINC001124656834 859770871 /nfs/dbraw/zinc/77/08/71/859770871.db2.gz YUCXIMOASBVZFL-UHFFFAOYSA-N 1 0 305.334 1.495 20 5 DDBDRO C[C@H](OCC[N+](C)(C)C)[C@H]1CN(Cc2ccccc2)CCO1 ZINC001224772684 881528374 /nfs/dbraw/zinc/52/83/74/881528374.db2.gz BPFBQZSDQDQDDC-FUHWJXTLSA-N 1 0 307.458 1.999 20 5 DDBDRO [NH3+][C@H]1CCCC[C@H]1C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC001325854960 860889075 /nfs/dbraw/zinc/88/90/75/860889075.db2.gz APUFUQDGOXQLGQ-OLZOCXBDSA-N 1 0 321.381 1.472 20 5 DDBDRO O=C(NCc1ccc2c[nH+]cn2c1)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001141947651 860978504 /nfs/dbraw/zinc/97/85/04/860978504.db2.gz DXAWATZCHYBZSG-UHFFFAOYSA-N 1 0 320.696 1.549 20 5 DDBDRO C[C@H](C[N+](C)(C)C)OCC(=O)OCc1ccc([N+](=O)[O-])cc1 ZINC001224989052 881628350 /nfs/dbraw/zinc/62/83/50/881628350.db2.gz KIGAJPFIHQJFSH-GFCCVEGCSA-N 1 0 311.358 1.749 20 5 DDBDRO Cc1ncc(C[NH3+])c(=N)n1-c1nccc2ccc([N+](=O)[O-])cc21 ZINC001156830239 863373959 /nfs/dbraw/zinc/37/39/59/863373959.db2.gz DWVQOOXQYITLMC-UHFFFAOYSA-N 1 0 310.317 1.575 20 5 DDBDRO CCOc1ccc(CCOC(=O)C[C@@H](O)C[N+](C)(C)C)cc1 ZINC001225070748 881668302 /nfs/dbraw/zinc/66/83/02/881668302.db2.gz IUUHEUHWXSWLHM-OAHLLOKOSA-N 1 0 310.414 1.628 20 5 DDBDRO CCOc1nc(-n2cc3c(n2)CC[C@@H]([NH3+])C3)ccc1[N+](=O)[O-] ZINC001157985007 864333476 /nfs/dbraw/zinc/33/34/76/864333476.db2.gz MKXIZNAFEHPMDH-SNVBAGLBSA-N 1 0 303.322 1.390 20 5 DDBDRO C[N@@H+]1CCN(c2ncc([N+](=O)[O-])cc2[N+](=O)[O-])C2(CCCC2)C1 ZINC001158408441 864634243 /nfs/dbraw/zinc/63/42/43/864634243.db2.gz JIYGQWOHSQEYNH-UHFFFAOYSA-N 1 0 321.337 1.963 20 5 DDBDRO Nc1cc(N2CCCc3ccc(C[NH3+])nc32)ncc1[N+](=O)[O-] ZINC001158652602 864788431 /nfs/dbraw/zinc/78/84/31/864788431.db2.gz RIHJOUULSQJOIY-UHFFFAOYSA-N 1 0 300.322 1.510 20 5 DDBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CCC[C@](C)(C[NH3+])C1 ZINC001158678816 864808584 /nfs/dbraw/zinc/80/85/84/864808584.db2.gz OVCKPXOLPJTCED-OAHLLOKOSA-N 1 0 322.365 1.732 20 5 DDBDRO O=[N+]([O-])c1c(Cl)nc(Cl)nc1NC[C@@H]1COCC[NH2+]1 ZINC001159042478 865066902 /nfs/dbraw/zinc/06/69/02/865066902.db2.gz GSIXOMKTSPNYOU-RXMQYKEDSA-N 1 0 308.125 1.092 20 5 DDBDRO COc1cc2ncnc(N(C)C(C)(C)C[NH3+])c2cc1[N+](=O)[O-] ZINC001159055021 865080614 /nfs/dbraw/zinc/08/06/14/865080614.db2.gz XVMHUHDQLLRSOE-UHFFFAOYSA-N 1 0 305.338 1.720 20 5 DDBDRO [NH3+]C[C@@]1(Nc2cc([N+](=O)[O-])c3cc[nH]c3n2)CN2CCC1CC2 ZINC001160512681 865899237 /nfs/dbraw/zinc/89/92/37/865899237.db2.gz DIKPNEAGDURQOL-OAHLLOKOSA-N 1 0 316.365 1.306 20 5 DDBDRO Cc1ccc(C[N@@H+](C)CCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c(C)c1 ZINC001320000597 866425071 /nfs/dbraw/zinc/42/50/71/866425071.db2.gz VCLOHUDHFZKDDF-HZPDHXFCSA-N 1 0 319.405 1.859 20 5 DDBDRO [NH3+]C[C@@]1(C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)CCCOC1 ZINC001333336090 866644304 /nfs/dbraw/zinc/64/43/04/866644304.db2.gz MZVXBBPSPGJYEJ-HNNXBMFYSA-N 1 0 305.334 1.193 20 5 DDBDRO CC1(C)C[NH2+]C[C@H](CNc2cnc3cc([N+](=O)[O-])ccc3n2)O1 ZINC001161954145 867138048 /nfs/dbraw/zinc/13/80/48/867138048.db2.gz OXIZOIKUECKCTO-LLVKDONJSA-N 1 0 317.349 1.717 20 5 DDBDRO [NH3+]Cc1nc2cnccc2n1-c1cc([N+](=O)[O-])c2cc[nH]c2n1 ZINC001162215518 867347997 /nfs/dbraw/zinc/34/79/97/867347997.db2.gz FSNORUUZKPTRCL-UHFFFAOYSA-N 1 0 309.289 1.664 20 5 DDBDRO COc1nc(N[C@]2(C)CCC[N@H+](C)C2)nc(OC)c1[N+](=O)[O-] ZINC001162341389 867473835 /nfs/dbraw/zinc/47/38/35/867473835.db2.gz MARDQGXSGPMDQR-CYBMUJFWSA-N 1 0 311.342 1.298 20 5 DDBDRO CCO[C@@H]1C[C@@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)[C@H]1OC ZINC001334941449 867929684 /nfs/dbraw/zinc/92/96/84/867929684.db2.gz BWHZZQALLCOWDX-RBSFLKMASA-N 1 0 310.350 1.756 20 5 DDBDRO O=[N+]([O-])c1cc[n+]([O-])cc1NC[C@@H]1CCC2(CC[NH2+]CC2)CO1 ZINC001162966696 867953860 /nfs/dbraw/zinc/95/38/60/867953860.db2.gz XBUBRQDZXFNCCB-LBPRGKRZSA-N 1 0 322.365 1.189 20 5 DDBDRO COc1nc(C)c(NCc2noc3c2C[NH2+]CC3)cc1[N+](=O)[O-] ZINC001163131606 868139563 /nfs/dbraw/zinc/13/95/63/868139563.db2.gz HLZYMTFCZFYYTN-UHFFFAOYSA-N 1 0 319.321 1.553 20 5 DDBDRO CN(CCC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)c1cocn1 ZINC001322441124 868169447 /nfs/dbraw/zinc/16/94/47/868169447.db2.gz QBKICFXVKGTFTM-UHFFFAOYSA-N 1 0 318.333 1.835 20 5 DDBDRO CN(C)c1ccc(NC[C@@H]2OC[C@H]3C[NH2+]CC[C@H]32)c([N+](=O)[O-])c1 ZINC001163176074 868191349 /nfs/dbraw/zinc/19/13/49/868191349.db2.gz MXINBEWYUMLFCG-KFNAQCHYSA-N 1 0 320.393 1.697 20 5 DDBDRO CC(C)(C)[C@@H]1CCC[C@@H]1[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001335459774 868312929 /nfs/dbraw/zinc/31/29/29/868312929.db2.gz WQSBFAWOBQDTSH-MJBXVCDLSA-N 1 0 310.398 1.957 20 5 DDBDRO CN(C)[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC001336019369 868682888 /nfs/dbraw/zinc/68/28/88/868682888.db2.gz PFKOOCARNJTFNR-FVQBIDKESA-N 1 0 323.393 1.407 20 5 DDBDRO O=C(N[C@@H]1C[NH+]2CCC1CC2)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001336055052 868702691 /nfs/dbraw/zinc/70/26/91/868702691.db2.gz NNJCTKQHDGNPLQ-HRCADAONSA-N 1 0 315.373 1.909 20 5 DDBDRO C[NH+](C)C1CN(c2cc([N+](=O)[O-])cc3c(Cl)ncnc32)C1 ZINC001163942710 868814579 /nfs/dbraw/zinc/81/45/79/868814579.db2.gz LPPDQRRUINWVFQ-UHFFFAOYSA-N 1 0 307.741 1.942 20 5 DDBDRO COC(=O)c1cc(C)nc(-n2nc(C[NH3+])cc2C)c1[N+](=O)[O-] ZINC001163981194 868843722 /nfs/dbraw/zinc/84/37/22/868843722.db2.gz GAHCQFUXKVVSCM-UHFFFAOYSA-N 1 0 305.294 1.038 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H]1CC12CCOCC2 ZINC001336822265 869164791 /nfs/dbraw/zinc/16/47/91/869164791.db2.gz XOXRUKZVIIDVON-DOMZBBRYSA-N 1 0 322.361 1.493 20 5 DDBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2C[C@H](C[NH3+])CC[C@@H]2C)n1 ZINC001164473852 869219383 /nfs/dbraw/zinc/21/93/83/869219383.db2.gz KBQXLNCUXGCNHZ-KWQFWETISA-N 1 0 322.369 1.215 20 5 DDBDRO CCOC(=O)c1ccnc(N2C[C@H](C[NH3+])CC[C@@H]2C)c1[N+](=O)[O-] ZINC001164474284 869219446 /nfs/dbraw/zinc/21/94/46/869219446.db2.gz OWCYFJSXUZPYLP-QWRGUYRKSA-N 1 0 322.365 1.730 20 5 DDBDRO Cc1cc(C[NH2+]CC2(CCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)no1 ZINC001164490574 869229644 /nfs/dbraw/zinc/22/96/44/869229644.db2.gz MWSNHZYMDGUHBO-CHWSQXEVSA-N 1 0 322.365 1.024 20 5 DDBDRO CCOC(=O)c1ccnc(N2CC[C@@H]3[NH2+]CC[C@H]32)c1[N+](=O)[O-] ZINC001165298234 869503999 /nfs/dbraw/zinc/50/39/99/869503999.db2.gz NSXLZWJVXKRDMN-WDEREUQCSA-N 1 0 306.322 1.107 20 5 DDBDRO COc1cnc(N2C[C@H](CF)[C@H](C3([NH3+])CC3)C2)c([N+](=O)[O-])c1 ZINC001165432096 869594905 /nfs/dbraw/zinc/59/49/05/869594905.db2.gz SVMFNBRBYGIITH-GXSJLCMTSA-N 1 0 310.329 1.512 20 5 DDBDRO CS(=O)(=O)N(c1cccc(C[NH3+])c1)c1cccnc1[N+](=O)[O-] ZINC001166470182 870012262 /nfs/dbraw/zinc/01/22/62/870012262.db2.gz BHCPYKUTDGQIFA-UHFFFAOYSA-N 1 0 322.346 1.546 20 5 DDBDRO N=c1nc([C@@H]2CCC[NH2+]2)ccn1-c1nccc(Cl)c1[N+](=O)[O-] ZINC001166700157 870167034 /nfs/dbraw/zinc/16/70/34/870167034.db2.gz IDUVFOPHNGTIKS-VIFPVBQESA-N 1 0 320.740 1.733 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1CCCC[C@@H]1[NH+](C)C ZINC001338826698 870189453 /nfs/dbraw/zinc/18/94/53/870189453.db2.gz ZZAIGIFUQBNWAN-STQMWFEESA-N 1 0 323.397 1.479 20 5 DDBDRO CC[C@@H](C)[NH+]1CCN(c2nnc(CCC[N+](=O)[O-])n2CC)CC1 ZINC001339232813 870412889 /nfs/dbraw/zinc/41/28/89/870412889.db2.gz GKWIAVDEQAMMMG-CYBMUJFWSA-N 1 0 324.429 1.428 20 5 DDBDRO CSc1ccc(C(=O)N[C@@H]2COC3(C[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC001340616511 871236787 /nfs/dbraw/zinc/23/67/87/871236787.db2.gz SUZJWUTYMWCOKV-JTQLQIEISA-N 1 0 323.374 1.177 20 5 DDBDRO [NH3+][C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@H]1C(F)(F)F ZINC001341064916 871486890 /nfs/dbraw/zinc/48/68/90/871486890.db2.gz UXSHTTHUSXRONS-GHMZBOCLSA-N 1 0 317.267 1.485 20 5 DDBDRO COC(=O)C(C)(C)C[NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC001308645601 871517501 /nfs/dbraw/zinc/51/75/01/871517501.db2.gz MXFKZVDKPMKOJH-UHFFFAOYSA-N 1 0 312.322 1.598 20 5 DDBDRO CNc1ccc(C(=O)NCC[C@H]2CSCC[NH2+]2)cc1[N+](=O)[O-] ZINC001341146500 871527454 /nfs/dbraw/zinc/52/74/54/871527454.db2.gz DNOSAFNHKVXOEO-NSHDSACASA-N 1 0 324.406 1.461 20 5 DDBDRO CCOC1CC([NH2+][C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001308932016 871538939 /nfs/dbraw/zinc/53/89/39/871538939.db2.gz WMAGQYWGRBMOHF-UZVIJOLCSA-N 1 0 310.350 1.146 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC001341464294 871667426 /nfs/dbraw/zinc/66/74/26/871667426.db2.gz CSBBBOIYXNHXFF-GFCCVEGCSA-N 1 0 307.350 1.721 20 5 DDBDRO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Nc3ccc(N)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC001310993119 871667509 /nfs/dbraw/zinc/66/75/09/871667509.db2.gz WWHAWJNIEZZPSV-NDMJEZRESA-N 1 0 319.365 1.639 20 5 DDBDRO CN(CC(=O)N[C@@H]1C[NH2+]CC1(C)C)c1ccccc1[N+](=O)[O-] ZINC001341467768 871671775 /nfs/dbraw/zinc/67/17/75/871671775.db2.gz TWAKOFDFGGIIBH-CYBMUJFWSA-N 1 0 306.366 1.145 20 5 DDBDRO C[C@@H]1C[NH2+]C[C@H]1CNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC001341647905 871754465 /nfs/dbraw/zinc/75/44/65/871754465.db2.gz OSALWFKQNLFIHV-MNOVXSKESA-N 1 0 309.391 1.659 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H]1CCCC[C@@H]1[NH+](C)C ZINC001318413680 872014311 /nfs/dbraw/zinc/01/43/11/872014311.db2.gz NXTPSJUIXPBUBR-NEPJUHHUSA-N 1 0 309.370 1.089 20 5 DDBDRO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1ccc([N+](=O)[O-])c2cccnc12 ZINC001342186120 872056627 /nfs/dbraw/zinc/05/66/27/872056627.db2.gz CLHIFJILXBAAQM-JIMOISOXSA-N 1 0 312.329 1.766 20 5 DDBDRO CCN(C(=O)CCNc1ccccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC001342279009 872124593 /nfs/dbraw/zinc/12/45/93/872124593.db2.gz UCRLEYRKMYLUND-CYBMUJFWSA-N 1 0 320.393 1.997 20 5 DDBDRO C[C@H](C[N+](=O)[O-])OC(=O)/C=C/c1ccc(OCC[NH+](C)C)cc1 ZINC001345020020 873226053 /nfs/dbraw/zinc/22/60/53/873226053.db2.gz WAFFFXLEYYNMKZ-YSKGHYERSA-N 1 0 322.361 1.849 20 5 DDBDRO C[C@@H]1CCN(CC[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC001346265841 873676055 /nfs/dbraw/zinc/67/60/55/873676055.db2.gz XPHGRYSRTIXPAN-HIFRSBDPSA-N 1 0 323.393 1.266 20 5 DDBDRO CC1(C)C[NH2+]C[C@@H]1NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001346675134 873843999 /nfs/dbraw/zinc/84/39/99/873843999.db2.gz ISQBMCYRHIEOHH-AWEZNQCLSA-N 1 0 318.377 1.661 20 5 DDBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N[C@H]1C[NH+]2CCC1CC2 ZINC001347226742 874064790 /nfs/dbraw/zinc/06/47/90/874064790.db2.gz GWUCUVWFIPNNMV-AWEZNQCLSA-N 1 0 318.377 1.607 20 5 DDBDRO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CNc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC001348747747 874757677 /nfs/dbraw/zinc/75/76/77/874757677.db2.gz PBKDVQJZQYUTPO-YNEHKIRRSA-N 1 0 318.377 1.463 20 5 DDBDRO CCC1([NH3+])CCN(C(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC001349883389 875432669 /nfs/dbraw/zinc/43/26/69/875432669.db2.gz GSYNKOPTFWVZED-UHFFFAOYSA-N 1 0 307.350 1.704 20 5 DDBDRO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC[N@@H+]1C1CCCC1 ZINC001350603643 875782108 /nfs/dbraw/zinc/78/21/08/875782108.db2.gz WIPJIKGJGNQGND-SNVBAGLBSA-N 1 0 307.354 1.407 20 5 DDBDRO CC[NH+](CC)CC[C@H](C)NC(=O)Nc1c(C)cncc1[N+](=O)[O-] ZINC001216486281 876956007 /nfs/dbraw/zinc/95/60/07/876956007.db2.gz OVWALJAJDIQXCY-LBPRGKRZSA-N 1 0 323.397 1.962 20 5 DDBDRO C[N@@H+]1C[C@@]23CN(C(=O)c4cc([N+](=O)[O-])n[nH]4)C[C@]2(C1)CCCC3 ZINC001353956116 877662826 /nfs/dbraw/zinc/66/28/26/877662826.db2.gz UUMCTQXSYUECMP-GASCZTMLSA-N 1 0 319.365 1.266 20 5 DDBDRO C[C@@]1(NC(=O)c2ccc(N)c([N+](=O)[O-])c2)C[NH+]2CCC1CC2 ZINC001300609680 877975293 /nfs/dbraw/zinc/97/52/93/877975293.db2.gz HINWZPUMAWVYJB-OAHLLOKOSA-N 1 0 304.350 1.391 20 5 DDBDRO C[C@H](CNC(=O)[C@]12CC[C@H]1C[NH2+]C2)c1ccccc1[N+](=O)[O-] ZINC001355315632 878496348 /nfs/dbraw/zinc/49/63/48/878496348.db2.gz HTAONBDVSPMMTC-WQGACYEGSA-N 1 0 303.362 1.814 20 5 DDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)NCC[C@H]1CSCC[NH2+]1 ZINC001357658350 880122852 /nfs/dbraw/zinc/12/28/52/880122852.db2.gz AFJFIVBLMRSMQX-LBPRGKRZSA-N 1 0 309.391 1.349 20 5 DDBDRO [NH3+]C[C@]12CC[C@H]1CCCN2C(=O)Cc1ccccc1[N+](=O)[O-] ZINC001358393807 880420022 /nfs/dbraw/zinc/42/00/22/880420022.db2.gz LEJZHFFQKDLYKY-CZUORRHYSA-N 1 0 303.362 1.867 20 5 DDBDRO C[N@@H+]1[C@@H]2C[C@@H](OCCc3ccc([N+](=O)[O-])cc3)[C@H]1CC(=O)C2 ZINC001224331282 881331557 /nfs/dbraw/zinc/33/15/57/881331557.db2.gz ONZDRETXIYNMIX-NUEKZKHPSA-N 1 0 304.346 1.958 20 5 DDBDRO CCOc1ccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)c(F)c1F ZINC001227877726 883211869 /nfs/dbraw/zinc/21/18/69/883211869.db2.gz PFMHQLRNIYODDM-SNVBAGLBSA-N 1 0 318.340 1.726 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc([N+](=O)[O-])c(Cl)n1 ZINC001228934655 883737444 /nfs/dbraw/zinc/73/74/44/883737444.db2.gz TXJXSCVJSRVCPB-MRVPVSSYSA-N 1 0 318.737 1.006 20 5 DDBDRO Cc1ccc2ncnc(OC(=O)C[C@@H](O)C[N+](C)(C)C)c2c1 ZINC001229054002 883794247 /nfs/dbraw/zinc/79/42/47/883794247.db2.gz OSAWQMONQQTZNL-GFCCVEGCSA-N 1 0 304.370 1.301 20 5 DDBDRO C[N@@H+]1CC[C@H](Oc2cc(Br)cnc2[N+](=O)[O-])C1 ZINC001229562773 884049350 /nfs/dbraw/zinc/04/93/50/884049350.db2.gz IDAAMETVTURVOD-QMMMGPOBSA-N 1 0 302.128 1.835 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc2ncc(F)cc2c1 ZINC001231168672 885315364 /nfs/dbraw/zinc/31/53/64/885315364.db2.gz JSHPNZMXHJMZLD-CYBMUJFWSA-N 1 0 307.345 1.737 20 5 DDBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(O[C@@H](C)C[N+](C)(C)C)n1 ZINC001234917693 888249229 /nfs/dbraw/zinc/24/92/29/888249229.db2.gz RYKBVUOUEJVEAU-QMMMGPOBSA-O 1 0 312.350 1.125 20 5 DDBDRO C[C@@H](CNC(=O)c1cnc(N)c([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](C)C1 ZINC001290900461 913536534 /nfs/dbraw/zinc/53/65/34/913536534.db2.gz UYGRNIOCIRWHMR-MNOVXSKESA-N 1 0 321.381 1.422 20 5 DDBDRO CC(C)(C)OC(=O)[C@H](CCC[NH3+])N[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001246205871 892480151 /nfs/dbraw/zinc/48/01/51/892480151.db2.gz ABUBQKCAZWFEHW-XQQFMLRXSA-N 1 0 315.414 1.471 20 5 DDBDRO COc1ccc(C[C@H](C)N2C[C@H]3CC[C@]3([NH3+])C2)c([N+](=O)[O-])c1 ZINC001246856292 892944662 /nfs/dbraw/zinc/94/46/62/892944662.db2.gz WQIGTDLEXJKRDA-GHJWDPDVSA-N 1 0 305.378 1.958 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](O)[C@](C)(CO)C1 ZINC001254553819 896499322 /nfs/dbraw/zinc/49/93/22/896499322.db2.gz ZQALIKTUIKTVQP-KCXAZCMYSA-N 1 0 308.378 1.591 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCN2C(=O)COC[C@@H]2C1 ZINC001254564401 896501621 /nfs/dbraw/zinc/50/16/21/896501621.db2.gz LNDLKGKDQROGFX-OCCSQVGLSA-N 1 0 319.361 1.069 20 5 DDBDRO O=C(C[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)NCc1ccco1 ZINC001254578190 896510840 /nfs/dbraw/zinc/51/08/40/896510840.db2.gz KFJHWVGQFJBQGM-CYBMUJFWSA-N 1 0 315.329 1.561 20 5 DDBDRO CC(C)(C)NC(=O)CC[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254580520 896513846 /nfs/dbraw/zinc/51/38/46/896513846.db2.gz GECJURCJJZZVRJ-ZDUSSCGKSA-N 1 0 305.378 1.956 20 5 DDBDRO CCOC(=O)[C@H]1CC[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254605018 896528025 /nfs/dbraw/zinc/52/80/25/896528025.db2.gz ZTGIHZHPVJIJNU-WFASDCNBSA-N 1 0 304.346 1.947 20 5 DDBDRO C[C@@H]1C[NH+](CCc2nnc(-c3ccc([N+](=O)[O-])o3)o2)C[C@@H](C)O1 ZINC001258013263 898015861 /nfs/dbraw/zinc/01/58/61/898015861.db2.gz VFTBJYHQHSJAHQ-NXEZZACHSA-N 1 0 322.321 1.890 20 5 DDBDRO C[C@](O)(C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC001262572129 900253809 /nfs/dbraw/zinc/25/38/09/900253809.db2.gz LTQRAQAPMNVSKU-MNOVXSKESA-N 1 0 308.256 1.531 20 5 DDBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC001263178796 900525277 /nfs/dbraw/zinc/52/52/77/900525277.db2.gz VXUBGCJUKGHBKC-ZUZCIYMTSA-N 1 0 321.402 1.998 20 5 DDBDRO Cc1cc(NC(=O)[C@@H]2C[N@H+]3CCN2C[C@H]3C)cc([N+](=O)[O-])c1 ZINC001264010943 900870843 /nfs/dbraw/zinc/87/08/43/900870843.db2.gz QHRXEGHCDZKFKE-RISCZKNCSA-N 1 0 304.350 1.230 20 5 DDBDRO CCc1onc(C)c1C[N@H+](C)CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001265843205 902478058 /nfs/dbraw/zinc/47/80/58/902478058.db2.gz WVOFWAWXHANOSC-DGCLKSJQSA-N 1 0 324.381 1.149 20 5 DDBDRO CC(C)n1ccc(CN(C)CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 ZINC001265843014 902478776 /nfs/dbraw/zinc/47/87/76/902478776.db2.gz SSJBYWPSFGWHAD-ZIAGYGMSSA-N 1 0 323.397 1.067 20 5 DDBDRO COCCCC[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001266181827 903074173 /nfs/dbraw/zinc/07/41/73/903074173.db2.gz RCOBVLKCIHMRFX-ZIAGYGMSSA-N 1 0 313.398 1.001 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)NCC2(C)CC[NH2+]CC2)c1 ZINC000181289001 199276890 /nfs/dbraw/zinc/27/68/90/199276890.db2.gz HLWPRCCPZLJUII-UHFFFAOYSA-N 1 0 307.350 1.723 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000305361550 231003834 /nfs/dbraw/zinc/00/38/34/231003834.db2.gz UEYDNHKERNMGSR-WFASDCNBSA-N 1 0 321.377 1.935 20 5 DDBDRO C[C@H](O)C[N@@H+]1CCN(Cc2c(F)cccc2[N+](=O)[O-])[C@H](C)C1 ZINC000249478133 282158998 /nfs/dbraw/zinc/15/89/98/282158998.db2.gz AKILFUQAIZUYFN-NEPJUHHUSA-N 1 0 311.357 1.621 20 5 DDBDRO C[C@H]1C[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC[N@@H+]1C ZINC000319016653 231179049 /nfs/dbraw/zinc/17/90/49/231179049.db2.gz CPKLVXMJPCGWLS-WCBMZHEXSA-N 1 0 310.329 1.529 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@H](C)[NH+](C)C)cc1C ZINC000451939948 231244046 /nfs/dbraw/zinc/24/40/46/231244046.db2.gz XCLFKNOJXJXNHH-NSHDSACASA-N 1 0 315.395 1.440 20 5 DDBDRO C[N@@H+]1CC[C@](O)(CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000331985270 529809730 /nfs/dbraw/zinc/80/97/30/529809730.db2.gz TZOSZQQBOBTPFZ-CVEARBPZSA-N 1 0 305.378 1.628 20 5 DDBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)[C@@H]1CCC[C@H]1O ZINC000286654072 219105793 /nfs/dbraw/zinc/10/57/93/219105793.db2.gz UHYODYGAFIUJQW-ZLKJLUDKSA-N 1 0 307.350 1.767 20 5 DDBDRO CNC(=O)CCC[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444669938 529852170 /nfs/dbraw/zinc/85/21/70/529852170.db2.gz XIEBLQXWUCZSBY-UHFFFAOYSA-N 1 0 305.338 1.429 20 5 DDBDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)c3cc([N+](=O)[O-])c[nH]c3=O)C2)C1 ZINC000295642027 530065195 /nfs/dbraw/zinc/06/51/95/530065195.db2.gz QUZPNDQGUFOSSN-HNNXBMFYSA-N 1 0 320.349 1.253 20 5 DDBDRO CN(c1ncc(Cl)cc1[N+](=O)[O-])C1CC[NH+](CCO)CC1 ZINC000434950459 530038512 /nfs/dbraw/zinc/03/85/12/530038512.db2.gz JVTGCMABNUCGNB-UHFFFAOYSA-N 1 0 314.773 1.536 20 5 DDBDRO CN1C(=O)CC[C@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])C1=O ZINC000424203317 530042440 /nfs/dbraw/zinc/04/24/40/530042440.db2.gz KBUCXEYXRCEWOA-RNZFLTOJSA-N 1 0 303.318 1.345 20 5 DDBDRO C[NH2+][C@@H]1CCCN(C(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)C1 ZINC000422764555 530044983 /nfs/dbraw/zinc/04/49/83/530044983.db2.gz JYELDYVDDFMZHK-GFCCVEGCSA-N 1 0 321.333 1.205 20 5 DDBDRO C[NH+](C)C[C@](C)(O)CNc1c2ccccc2ncc1[N+](=O)[O-] ZINC000291964827 222743708 /nfs/dbraw/zinc/74/37/08/222743708.db2.gz OJWGNJQTFBWAHX-OAHLLOKOSA-N 1 0 304.350 1.868 20 5 DDBDRO Cc1ccc([C@@H](C)[NH2+]CCCN2C(=O)CNC2=O)cc1[N+](=O)[O-] ZINC000181827813 199358706 /nfs/dbraw/zinc/35/87/06/199358706.db2.gz QGAXKIXBSDZQMN-LLVKDONJSA-N 1 0 320.349 1.496 20 5 DDBDRO CC(C)[NH2+]CCC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000320270221 290819639 /nfs/dbraw/zinc/81/96/39/290819639.db2.gz TWBMENMLCHYEIT-UHFFFAOYSA-N 1 0 321.381 1.027 20 5 DDBDRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000564551136 304000336 /nfs/dbraw/zinc/00/03/36/304000336.db2.gz BJJSSHVMGFWPDR-RYUDHWBXSA-N 1 0 322.365 1.352 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@H](O)C(C)(C)C1 ZINC000279790386 215148431 /nfs/dbraw/zinc/14/84/31/215148431.db2.gz OGTRKTFUTSUYRQ-AWEZNQCLSA-N 1 0 321.377 1.935 20 5 DDBDRO CN(CC[NH+](C)C)C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000080400980 192154796 /nfs/dbraw/zinc/15/47/96/192154796.db2.gz ZJONWBUPUAIGKZ-UHFFFAOYSA-N 1 0 317.349 1.414 20 5 DDBDRO CN(CC[NH+](C)C)C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000080394824 192154940 /nfs/dbraw/zinc/15/49/40/192154940.db2.gz KAWRURXKJUDUMT-UHFFFAOYSA-N 1 0 317.349 1.414 20 5 DDBDRO COC[C@H](C[NH2+]Cc1cc(OC)c(OC)cc1[N+](=O)[O-])OC ZINC000358486254 299169452 /nfs/dbraw/zinc/16/94/52/299169452.db2.gz PZOSKKONOIQZPK-NSHDSACASA-N 1 0 314.338 1.363 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)CC[NH+](C)C ZINC000175699541 186189245 /nfs/dbraw/zinc/18/92/45/186189245.db2.gz PLLHZIQABTZRER-UHFFFAOYSA-N 1 0 301.368 1.085 20 5 DDBDRO C[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000274136032 186433655 /nfs/dbraw/zinc/43/36/55/186433655.db2.gz YVVGNKWHWGEPTR-VXGBXAGGSA-N 1 0 307.350 1.938 20 5 DDBDRO Cc1c([C@H](C)[NH2+]CCS(=O)(=O)N(C)C)cccc1[N+](=O)[O-] ZINC000290087970 186620390 /nfs/dbraw/zinc/62/03/90/186620390.db2.gz HGJOITFJTNRZNL-NSHDSACASA-N 1 0 315.395 1.445 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH+]2CCC(CO)CC2)c1 ZINC000046090529 352436633 /nfs/dbraw/zinc/43/66/33/352436633.db2.gz CFVLOGNVQCFNCJ-CQSZACIVSA-N 1 0 310.350 1.039 20 5 DDBDRO C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)CC(=O)N1CCCC1 ZINC000055900137 352749412 /nfs/dbraw/zinc/74/94/12/352749412.db2.gz VMYREODTRQFECT-UHFFFAOYSA-N 1 0 321.377 1.918 20 5 DDBDRO C[NH+]1CCC(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000061031628 352883796 /nfs/dbraw/zinc/88/37/96/352883796.db2.gz JQIIFPXLHLARRC-UHFFFAOYSA-N 1 0 321.333 1.190 20 5 DDBDRO Cc1cc(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)ccc1[N+](=O)[O-] ZINC000064334022 352933798 /nfs/dbraw/zinc/93/37/98/352933798.db2.gz CFPNLPUTFBOTBO-UONOGXRCSA-N 1 0 319.361 1.496 20 5 DDBDRO COCCC[N@H+](CCOC)CCOc1ccc([N+](=O)[O-])cc1 ZINC000065535869 352954405 /nfs/dbraw/zinc/95/44/05/352954405.db2.gz XYJXKOPEKMZPTP-UHFFFAOYSA-N 1 0 312.366 1.959 20 5 DDBDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000069502707 353164019 /nfs/dbraw/zinc/16/40/19/353164019.db2.gz XIQBPKSNGCSNLQ-AWEZNQCLSA-N 1 0 321.377 1.744 20 5 DDBDRO C[NH+](C)CCN(Cc1ccco1)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000088229668 353753249 /nfs/dbraw/zinc/75/32/49/353753249.db2.gz SLPUNIJWSFPDJO-UHFFFAOYSA-N 1 0 306.322 1.720 20 5 DDBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@]1(O)CCOC1 ZINC000090848276 353798957 /nfs/dbraw/zinc/79/89/57/353798957.db2.gz NJVCJXXXALWASL-IAQYHMDHSA-N 1 0 323.349 1.053 20 5 DDBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)CCN1CCCC1=O ZINC000112703456 353973858 /nfs/dbraw/zinc/97/38/58/353973858.db2.gz SCHZYEKRNHQHRV-UHFFFAOYSA-N 1 0 307.350 1.528 20 5 DDBDRO O=C(Cc1ccccc1[N+](=O)[O-])N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000142296427 354144046 /nfs/dbraw/zinc/14/40/46/354144046.db2.gz VLAJBSFQLIVREI-AWEZNQCLSA-N 1 0 303.362 1.834 20 5 DDBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)CCC[NH3+] ZINC000158890059 354231671 /nfs/dbraw/zinc/23/16/71/354231671.db2.gz PPNCDKGBQLWOBW-SECBINFHSA-N 1 0 315.757 1.823 20 5 DDBDRO [NH3+]CC[C@@H](NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)C(F)F ZINC000584780593 354767050 /nfs/dbraw/zinc/76/70/50/354767050.db2.gz MRHLHNGXLZWPPA-SSDOTTSWSA-N 1 0 317.248 1.036 20 5 DDBDRO CC(C)C[NH+]1CCN(c2cc(N)c([N+](=O)[O-])c(CO)c2)CC1 ZINC000586980784 354878316 /nfs/dbraw/zinc/87/83/16/354878316.db2.gz KWOYLEQURCWZTE-UHFFFAOYSA-N 1 0 308.382 1.447 20 5 DDBDRO CN(CC[C@H]1CCCC[N@@H+]1C)c1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000587986644 354888955 /nfs/dbraw/zinc/88/89/55/354888955.db2.gz FLIKTCIWMYSKKA-CYBMUJFWSA-N 1 0 322.409 1.980 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(CN2CCC[C@H](OC)C2)c1 ZINC000589495778 354996265 /nfs/dbraw/zinc/99/62/65/354996265.db2.gz LWPMAFMIKQRKIA-ZDUSSCGKSA-N 1 0 308.334 1.992 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)C[C@H]2CCOC2)c1 ZINC000589502768 354996910 /nfs/dbraw/zinc/99/69/10/354996910.db2.gz JLAOVMRCWFRITN-LLVKDONJSA-N 1 0 308.334 1.850 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@H]([C@@H](C)O)C2)c1 ZINC000589510901 354997621 /nfs/dbraw/zinc/99/76/21/354997621.db2.gz UNJXPNISUIDLIX-PWSUYJOCSA-N 1 0 308.334 1.584 20 5 DDBDRO CNc1ccc(C(=O)N2CC[C@@H]3C[N@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000590441567 355095475 /nfs/dbraw/zinc/09/54/75/355095475.db2.gz DAKPKNWYHNDAFA-BXUZGUMPSA-N 1 0 304.350 1.413 20 5 DDBDRO CNc1c(C(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)cccc1[N+](=O)[O-] ZINC000590443455 355097482 /nfs/dbraw/zinc/09/74/82/355097482.db2.gz KKVUJZJVTKDJAD-GWCFXTLKSA-N 1 0 304.350 1.413 20 5 DDBDRO C[C@H](CCO)CC[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000590654645 355138983 /nfs/dbraw/zinc/13/89/83/355138983.db2.gz ZKWWWGFWIVLJPB-NSHDSACASA-N 1 0 310.350 1.864 20 5 DDBDRO CC[NH+]1CCN([C@@H](C)CNc2ncc([N+](=O)[O-])cc2F)CC1 ZINC000591139830 355254234 /nfs/dbraw/zinc/25/42/34/355254234.db2.gz OXQQJEQMOKYPEI-NSHDSACASA-N 1 0 311.361 1.567 20 5 DDBDRO O=[N+]([O-])c1cnc(N2CC[NH+](C[C@H]3CCOC3)CC2)c(F)c1 ZINC000591150279 355255552 /nfs/dbraw/zinc/25/55/52/355255552.db2.gz UEEDRPDEBHNBPQ-LLVKDONJSA-N 1 0 310.329 1.287 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCC(C)([NH3+])CC1 ZINC000591346285 355293539 /nfs/dbraw/zinc/29/35/39/355293539.db2.gz NHYGAEPELHZZRY-UHFFFAOYSA-N 1 0 322.365 1.626 20 5 DDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N[C@@H]1CCC[NH2+]CC1 ZINC000591353342 355296536 /nfs/dbraw/zinc/29/65/36/355296536.db2.gz WZGUNXIFIOAYFU-CYBMUJFWSA-N 1 0 306.366 1.579 20 5 DDBDRO O=C(NCC[NH2+]C1CC1)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000591351736 355296599 /nfs/dbraw/zinc/29/65/99/355296599.db2.gz JVFSSXSQJSGFEQ-UHFFFAOYSA-N 1 0 308.338 1.025 20 5 DDBDRO CCn1cc(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)cn1 ZINC000591766643 355381005 /nfs/dbraw/zinc/38/10/05/355381005.db2.gz RBHCUWKKAOWFTF-CQSZACIVSA-N 1 0 320.349 1.341 20 5 DDBDRO CC[C@H]1CN(C(=O)c2cc(OC)ccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000592333455 355561319 /nfs/dbraw/zinc/56/13/19/355561319.db2.gz ZABSRPIMUYJWCX-GXFFZTMASA-N 1 0 307.350 1.803 20 5 DDBDRO COc1ccc(CC(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)cc1[N+](=O)[O-] ZINC000592248904 355546741 /nfs/dbraw/zinc/54/67/41/355546741.db2.gz WRMGYZFWYKFYCE-OLZOCXBDSA-N 1 0 319.361 1.356 20 5 DDBDRO O=C(N[C@@H]1CCC[NH2+]CC1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000592328451 355560551 /nfs/dbraw/zinc/56/05/51/355560551.db2.gz HKSOYBUWLRBAGV-SNVBAGLBSA-N 1 0 321.333 1.238 20 5 DDBDRO C[C@]1(C[NH3+])CCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000592432681 355581972 /nfs/dbraw/zinc/58/19/72/355581972.db2.gz LHMBCPQMOYXWDC-OAHLLOKOSA-N 1 0 307.350 1.537 20 5 DDBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000592568441 355631671 /nfs/dbraw/zinc/63/16/71/355631671.db2.gz KJZWMVGHZFHVFR-IUCAKERBSA-N 1 0 309.322 1.222 20 5 DDBDRO C[NH+](C)CCNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000005115290 181205075 /nfs/dbraw/zinc/20/50/75/181205075.db2.gz PYNUPZKQDKYVMH-UHFFFAOYSA-N 1 0 309.369 1.973 20 5 DDBDRO C[NH+]1CCC2(CC1)CN(C(=O)c1cccc([N+](=O)[O-])c1)CCO2 ZINC000592899412 355734719 /nfs/dbraw/zinc/73/47/19/355734719.db2.gz QTYCPMWJAVIDCX-UHFFFAOYSA-N 1 0 319.361 1.532 20 5 DDBDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)Cc3ccc(F)cc3[N+](=O)[O-])C2)C1 ZINC000593161975 355814994 /nfs/dbraw/zinc/81/49/94/355814994.db2.gz FUUCGSMJOISTBE-MRXNPFEDSA-N 1 0 321.352 1.831 20 5 DDBDRO C[NH+](C)[C@H]1CCCN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000593448259 355887979 /nfs/dbraw/zinc/88/79/79/355887979.db2.gz LZUCCSOOGOIKPL-ZDUSSCGKSA-N 1 0 309.341 1.829 20 5 DDBDRO CC[N@H+](CCNC(=O)Cc1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000593450254 355888715 /nfs/dbraw/zinc/88/87/15/355888715.db2.gz JLONAKFRJWLQFE-UHFFFAOYSA-N 1 0 309.341 1.877 20 5 DDBDRO C[C@H]1C[C@@H](NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000593485964 355900445 /nfs/dbraw/zinc/90/04/45/355900445.db2.gz DRZSJBMUUCYXHG-GWCFXTLKSA-N 1 0 309.341 1.875 20 5 DDBDRO C[NH+](C)C1(CNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])CCC1 ZINC000593640790 355951316 /nfs/dbraw/zinc/95/13/16/355951316.db2.gz PTVCCLZYRLDTLA-UHFFFAOYSA-N 1 0 309.341 1.877 20 5 DDBDRO Cn1cc(C[NH2+][C@H](CO)CCF)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000593688387 355967365 /nfs/dbraw/zinc/96/73/65/355967365.db2.gz HTGWWHCAUVZEMV-ZDUSSCGKSA-N 1 0 322.340 1.805 20 5 DDBDRO C[NH+](C)CC[C@H](N)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000593906632 356052364 /nfs/dbraw/zinc/05/23/64/356052364.db2.gz KXQYJPCDMFCVTE-HNNXBMFYSA-N 1 0 320.393 1.365 20 5 DDBDRO CC[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CCCCO1 ZINC000594042635 356097023 /nfs/dbraw/zinc/09/70/23/356097023.db2.gz MBFVVZXMMFOONA-KGLIPLIRSA-N 1 0 309.366 1.694 20 5 DDBDRO Cc1nn(C)c(NC[C@@H](C)N2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000594591217 356258424 /nfs/dbraw/zinc/25/84/24/356258424.db2.gz IBHMZRGCXNYTHM-MXWKQRLJSA-N 1 0 311.386 1.546 20 5 DDBDRO CCOCCOC[C@@H](O)C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594498961 356238708 /nfs/dbraw/zinc/23/87/08/356238708.db2.gz DTJZAGIXBZQDJM-WFASDCNBSA-N 1 0 324.377 1.586 20 5 DDBDRO C[C@H](CC[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])[NH+](C)C ZINC000594817379 356326204 /nfs/dbraw/zinc/32/62/04/356326204.db2.gz QLSSNXZGFXLQKX-SECBINFHSA-N 1 0 319.358 1.352 20 5 DDBDRO Cc1c([C@@H](C)[NH2+]C[C@@]2(OCCO)CCOC2)cccc1[N+](=O)[O-] ZINC000595077623 356378847 /nfs/dbraw/zinc/37/88/47/356378847.db2.gz KNHASIAKATZHRR-CJNGLKHVSA-N 1 0 324.377 1.722 20 5 DDBDRO [NH3+]C1(CNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CCCC1 ZINC000595119899 356386049 /nfs/dbraw/zinc/38/60/49/356386049.db2.gz MRLQQDZFWIKBFE-UHFFFAOYSA-N 1 0 313.379 1.286 20 5 DDBDRO C[NH2+]C[C@H](C)NS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000595122849 356386704 /nfs/dbraw/zinc/38/67/04/356386704.db2.gz WPTFLAIAUHUYNO-JTQLQIEISA-N 1 0 301.368 1.098 20 5 DDBDRO CC(C)[N@H+](C)C[C@@H](O)CN1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000595425013 356487306 /nfs/dbraw/zinc/48/73/06/356487306.db2.gz QUUPAXKJVJIZLP-CQSZACIVSA-N 1 0 308.382 1.049 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000595612965 356576955 /nfs/dbraw/zinc/57/69/55/356576955.db2.gz XUFAOXAQBSSEIG-LBPRGKRZSA-N 1 0 317.349 1.717 20 5 DDBDRO COc1cc(C[N@@H+]2CC[C@H]3NC(=O)CC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000595728781 356625175 /nfs/dbraw/zinc/62/51/75/356625175.db2.gz OWHMWUFJAAJYAS-CHWSQXEVSA-N 1 0 319.361 1.704 20 5 DDBDRO CC[C@@H](C)[C@H]([NH3+])C(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000236973125 202102603 /nfs/dbraw/zinc/10/26/03/202102603.db2.gz XGSGRKYYWWGZMT-PELKAZGASA-N 1 0 309.322 1.693 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@@H]1[C@@H](C)O ZINC000595766830 356643818 /nfs/dbraw/zinc/64/38/18/356643818.db2.gz RSELMDFXVOYNNE-BXUZGUMPSA-N 1 0 307.350 1.687 20 5 DDBDRO C[C@H]([NH2+][C@H]1C[C@H](O)C12CCC2)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000595779210 356649153 /nfs/dbraw/zinc/64/91/53/356649153.db2.gz APXJTVPARBEPQN-BPNCWPANSA-N 1 0 319.361 1.815 20 5 DDBDRO CN(C(=O)C[NH2+][C@@H]1C[C@@H](O)C12CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000595782516 356650331 /nfs/dbraw/zinc/65/03/31/356650331.db2.gz OPQDLZMFNXERAT-ZIAGYGMSSA-N 1 0 319.361 1.451 20 5 DDBDRO CN(C(=O)CCCNc1ccc([N+](=O)[O-])cc1)C1CC[NH2+]CC1 ZINC000237066261 202141851 /nfs/dbraw/zinc/14/18/51/202141851.db2.gz JMVNCIJEFODKDH-UHFFFAOYSA-N 1 0 320.393 1.997 20 5 DDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N(C)CC[NH2+]C)cc1OC ZINC000237069808 202142907 /nfs/dbraw/zinc/14/29/07/202142907.db2.gz MVEGGIZAURTSPE-UHFFFAOYSA-N 1 0 311.338 1.294 20 5 DDBDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000237127765 202160655 /nfs/dbraw/zinc/16/06/55/202160655.db2.gz YEQZPKHDFGSMRS-JTQLQIEISA-N 1 0 303.322 1.295 20 5 DDBDRO [NH3+]CC12CC(C1)CN2CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000595910643 356701639 /nfs/dbraw/zinc/70/16/39/356701639.db2.gz QCZRAKYYJPCFBO-UHFFFAOYSA-N 1 0 304.350 1.347 20 5 DDBDRO O=C(Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)c1cc([N+](=O)[O-])c[nH]1 ZINC000595967135 356727782 /nfs/dbraw/zinc/72/77/82/356727782.db2.gz XMEGTTKSCJNZFH-AWEZNQCLSA-N 1 0 316.317 1.836 20 5 DDBDRO C[NH2+]C[C@H](C)NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000595982891 356735278 /nfs/dbraw/zinc/73/52/78/356735278.db2.gz JDPDUAKMXQUVTR-ZETCQYMHSA-N 1 0 316.155 1.695 20 5 DDBDRO Cc1cc(S(=O)(=O)N[C@]2(C)CC[NH2+]C2)c(C)cc1[N+](=O)[O-] ZINC000596052771 356754841 /nfs/dbraw/zinc/75/48/41/356754841.db2.gz YDZBUZPUBFXUFV-CYBMUJFWSA-N 1 0 313.379 1.242 20 5 DDBDRO C[C@@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1nccn1C ZINC000596065647 356759493 /nfs/dbraw/zinc/75/94/93/356759493.db2.gz IMKDMBYZRBWYEY-DGCLKSJQSA-N 1 0 320.349 1.419 20 5 DDBDRO COc1cc(CN2CC[C@@H](F)[C@H]([NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000596105239 356773828 /nfs/dbraw/zinc/77/38/28/356773828.db2.gz IBUCTCPNEKWEPP-GHMZBOCLSA-N 1 0 313.329 1.483 20 5 DDBDRO CC[NH+](CC)C[C@H]1CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596142706 356790262 /nfs/dbraw/zinc/79/02/62/356790262.db2.gz SNAMAXGDZWLRSP-GFCCVEGCSA-N 1 0 320.393 1.862 20 5 DDBDRO C[C@H]1C[NH+](CCCCNc2cc[nH]c(=O)c2[N+](=O)[O-])C[C@H](C)O1 ZINC000596155340 356794113 /nfs/dbraw/zinc/79/41/13/356794113.db2.gz ICEKCOSRLGJTEK-RYUDHWBXSA-N 1 0 324.381 1.997 20 5 DDBDRO Nc1ccc(N2CC[NH+](CC3CCOCC3)CC2)nc1[N+](=O)[O-] ZINC000596129323 356784237 /nfs/dbraw/zinc/78/42/37/356784237.db2.gz GORNSVWRXCZPTC-UHFFFAOYSA-N 1 0 321.381 1.121 20 5 DDBDRO CC(C)[C@@H]1C[N@H+](C)CCN1c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596133999 356785621 /nfs/dbraw/zinc/78/56/21/356785621.db2.gz BSUIZJBFIPJYAB-AWEZNQCLSA-N 1 0 306.366 1.470 20 5 DDBDRO Cc1cc(N2CCN(CC[NH+](C)C)C(=O)C2)c([N+](=O)[O-])s1 ZINC000596290207 356846836 /nfs/dbraw/zinc/84/68/36/356846836.db2.gz LKTZNEZDMRRSDA-UHFFFAOYSA-N 1 0 312.395 1.175 20 5 DDBDRO CCOC(=O)[C@@H](C)[C@H](C)[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000358786063 299254077 /nfs/dbraw/zinc/25/40/77/299254077.db2.gz BIEGJPJPHPJGFY-QWRGUYRKSA-N 1 0 323.349 1.711 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(N(C)CC2CC[NH+](C[C@H](C)O)CC2)n1 ZINC000178213975 198832649 /nfs/dbraw/zinc/83/26/49/198832649.db2.gz KIFXRRBEBVPUNB-ZDUSSCGKSA-N 1 0 322.409 1.827 20 5 DDBDRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000597700961 357292092 /nfs/dbraw/zinc/29/20/92/357292092.db2.gz PMFMLISIKZXKPU-GXSJLCMTSA-N 1 0 321.333 1.488 20 5 DDBDRO CSc1cccc(C(=O)N2CC(C[NH+](C)C)C2)c1[N+](=O)[O-] ZINC000597708330 357295489 /nfs/dbraw/zinc/29/54/89/357295489.db2.gz JZJFGKWCUZSPPQ-UHFFFAOYSA-N 1 0 309.391 1.950 20 5 DDBDRO Cn1c(C(=O)N2CCC[C@]3(CC[N@H+](C)C3)C2)ccc1[N+](=O)[O-] ZINC000597714734 357298684 /nfs/dbraw/zinc/29/86/84/357298684.db2.gz ISDRSLTUWYUEKA-OAHLLOKOSA-N 1 0 306.366 1.491 20 5 DDBDRO Cc1n[nH]c(C(=O)N2CCC[C@@]3(CC[N@@H+](C)C3)C2)c1[N+](=O)[O-] ZINC000597714170 357298867 /nfs/dbraw/zinc/29/88/67/357298867.db2.gz HAIGTEOVKIDQSW-AWEZNQCLSA-N 1 0 307.354 1.184 20 5 DDBDRO C[C@@H](CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)[NH+](C)C ZINC000597997151 357412010 /nfs/dbraw/zinc/41/20/10/357412010.db2.gz MHJPMMUAMSZYTA-JTQLQIEISA-N 1 0 323.349 1.436 20 5 DDBDRO O=C(c1ccccc1[N+](=O)[O-])N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000598451608 357588097 /nfs/dbraw/zinc/58/80/97/357588097.db2.gz CCBLCBLYKMEMCV-CYBMUJFWSA-N 1 0 319.361 1.266 20 5 DDBDRO [NH3+][C@]12CCC[C@H]1CN(C(=O)c1n[nH]c3ccc([N+](=O)[O-])cc31)C2 ZINC000598668055 357678168 /nfs/dbraw/zinc/67/81/68/357678168.db2.gz OOELQRKTFWLWFA-VFZGTOFNSA-N 1 0 315.333 1.425 20 5 DDBDRO COC(=O)c1ccnc(N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000598600354 357648700 /nfs/dbraw/zinc/64/87/00/357648700.db2.gz AVUSQFCIORDKOK-NXEZZACHSA-N 1 0 320.349 1.814 20 5 DDBDRO CC(=O)N1CC[C@@H]([NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000598646923 357668358 /nfs/dbraw/zinc/66/83/58/357668358.db2.gz DWXDEKKHXVCCTF-GFCCVEGCSA-N 1 0 321.333 1.076 20 5 DDBDRO CCOc1ccc([C@H](C)[NH2+]CCN2CC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000599085623 357810454 /nfs/dbraw/zinc/81/04/54/357810454.db2.gz UILYBRRFSYGYAP-GXTWGEPZSA-N 1 0 323.393 1.711 20 5 DDBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1C[C@@H](O)C1 ZINC000599085315 357810635 /nfs/dbraw/zinc/81/06/35/357810635.db2.gz PIGGGSIRUJNXGJ-COPLHBTASA-N 1 0 307.350 1.672 20 5 DDBDRO CCC(CC)[NH2+]CCNc1nccc(C(=O)OC)c1[N+](=O)[O-] ZINC000599098216 357815331 /nfs/dbraw/zinc/81/53/31/357815331.db2.gz RKDNXOMXWWXUOX-UHFFFAOYSA-N 1 0 310.354 1.967 20 5 DDBDRO CC[C@@H]1CN(c2cc(C(=O)OC)ccc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000599181864 357841453 /nfs/dbraw/zinc/84/14/53/357841453.db2.gz XLRQPERTOVTRDE-CMPLNLGQSA-N 1 0 307.350 1.958 20 5 DDBDRO C[NH2+]CCOCCN(C)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000599585612 357983972 /nfs/dbraw/zinc/98/39/72/357983972.db2.gz FUZXIVBZQXVVHC-UHFFFAOYSA-N 1 0 310.354 1.603 20 5 DDBDRO C[NH2+]CCOCCN(C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000599592838 357986084 /nfs/dbraw/zinc/98/60/84/357986084.db2.gz AOJSPOYCYYLSDS-UHFFFAOYSA-N 1 0 310.354 1.603 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)C[C@H]1C[C@@H](O)C1 ZINC000599674127 358019519 /nfs/dbraw/zinc/01/95/19/358019519.db2.gz YUTVNKOZJXRCHM-XBXGTLAGSA-N 1 0 321.377 1.935 20 5 DDBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000180006528 199105439 /nfs/dbraw/zinc/10/54/39/199105439.db2.gz JKGBWKCROZKPNB-LLVKDONJSA-N 1 0 321.333 1.538 20 5 DDBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N[C@H]1CC[NH2+]C12CCC2 ZINC000599910743 358078775 /nfs/dbraw/zinc/07/87/75/358078775.db2.gz SYOLROXPJMXKRE-ZDUSSCGKSA-N 1 0 304.350 1.679 20 5 DDBDRO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000599937114 358085152 /nfs/dbraw/zinc/08/51/52/358085152.db2.gz DTRFOQPGDIQBCH-JSGCOSHPSA-N 1 0 323.324 1.015 20 5 DDBDRO CCN(C(=O)CCn1cc([N+](=O)[O-])nc1C)C1CC[NH+](C)CC1 ZINC000599986723 358096509 /nfs/dbraw/zinc/09/65/09/358096509.db2.gz YOYKHFGYNXBWSW-UHFFFAOYSA-N 1 0 323.397 1.433 20 5 DDBDRO COc1ccc(C(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000237351926 202241631 /nfs/dbraw/zinc/24/16/31/202241631.db2.gz SNXAXQUXQOAUSU-ZWNOBZJWSA-N 1 0 307.350 1.803 20 5 DDBDRO Cc1c(NC(=O)[C@@H](C)N(C)CCOCC[NH3+])cccc1[N+](=O)[O-] ZINC000600736678 358301874 /nfs/dbraw/zinc/30/18/74/358301874.db2.gz ROZDVDPAYDWMLK-GFCCVEGCSA-N 1 0 324.381 1.137 20 5 DDBDRO C[C@@H]1CN(C(=O)CCNc2ccccc2[N+](=O)[O-])[C@H](C)C[NH2+]1 ZINC000237411725 202258367 /nfs/dbraw/zinc/25/83/67/202258367.db2.gz XYBURMXBSGIMJS-VXGBXAGGSA-N 1 0 306.366 1.606 20 5 DDBDRO C[C@@H]1[NH2+]CC[C@H]1NCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000600772839 358312223 /nfs/dbraw/zinc/31/22/23/358312223.db2.gz JZEADEGOACYJPF-XHDPSFHLSA-N 1 0 315.377 1.835 20 5 DDBDRO O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000600836793 358329395 /nfs/dbraw/zinc/32/93/95/358329395.db2.gz CFALFRGMLKDFCU-NSHDSACASA-N 1 0 320.349 1.442 20 5 DDBDRO O=[N+]([O-])c1cc(F)cnc1N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000601113103 358406167 /nfs/dbraw/zinc/40/61/67/358406167.db2.gz CGIUFUXULVFBKL-AAEUAGOBSA-N 1 0 310.329 1.164 20 5 DDBDRO C[C@@H]1CN(c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)C[C@H](C)[NH2+]1 ZINC000601196754 358443504 /nfs/dbraw/zinc/44/35/04/358443504.db2.gz UOYSRUMKTBZQIF-KNVOCYPGSA-N 1 0 307.276 1.534 20 5 DDBDRO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)Cc1ccccc1[N+](=O)[O-])C2 ZINC000601976332 358762983 /nfs/dbraw/zinc/76/29/83/358762983.db2.gz POLFWYPDDQOVNB-IYBDPMFKSA-N 1 0 303.362 1.595 20 5 DDBDRO O=[N+]([O-])c1cc2c(ncnc2N2CCC[C@H]3C[NH2+]C[C@H]32)s1 ZINC000601980745 358764578 /nfs/dbraw/zinc/76/45/78/358764578.db2.gz OCKNAUREAPGSOA-WCBMZHEXSA-N 1 0 305.363 1.788 20 5 DDBDRO COc1ccc(CNC(=O)C[C@@H]2CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000602080590 358803665 /nfs/dbraw/zinc/80/36/65/358803665.db2.gz PYFUYWQILCYTSC-LBPRGKRZSA-N 1 0 307.350 1.561 20 5 DDBDRO C[N@H+](CC(=O)N1CCc2ncc([N+](=O)[O-])cc2C1)CC(C)(C)C ZINC000602135231 358836617 /nfs/dbraw/zinc/83/66/17/358836617.db2.gz YXFPHVWVEUBXNM-UHFFFAOYSA-N 1 0 320.393 1.852 20 5 DDBDRO COCC[NH+]1CCN(c2ccc([N+](=O)[O-])c3ncccc23)CC1 ZINC000358933066 299284785 /nfs/dbraw/zinc/28/47/85/299284785.db2.gz JYBLOUYTRJPAJY-UHFFFAOYSA-N 1 0 316.361 1.911 20 5 DDBDRO CC(C)[C@@H](O)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602545604 359036941 /nfs/dbraw/zinc/03/69/41/359036941.db2.gz GVAFKMFZSXTHEZ-AWEZNQCLSA-N 1 0 308.382 1.565 20 5 DDBDRO C[C@@H]1C[C@@H]1N1C[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1=O ZINC000602560462 359046043 /nfs/dbraw/zinc/04/60/43/359046043.db2.gz ZSBSGUNAZDOFJD-ZLDLUXBVSA-N 1 0 303.362 1.736 20 5 DDBDRO Cn1cc(C[N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)c([N+](=O)[O-])n1 ZINC000602476911 359003894 /nfs/dbraw/zinc/00/38/94/359003894.db2.gz XTHGIVIPWASGJC-LBPRGKRZSA-N 1 0 321.381 1.163 20 5 DDBDRO CO[C@]1(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CCOC1 ZINC000602615929 359075262 /nfs/dbraw/zinc/07/52/62/359075262.db2.gz GCIBNHNVTOOJEZ-AWEZNQCLSA-N 1 0 307.306 1.631 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(n2ccnc2)CC1 ZINC000602783083 359189383 /nfs/dbraw/zinc/18/93/83/359189383.db2.gz YDCBRRBMEYHDEW-UHFFFAOYSA-N 1 0 304.354 1.633 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CCN1CCN(CC(C)C)C(=O)[C@@H]1C ZINC000602810523 359206655 /nfs/dbraw/zinc/20/66/55/359206655.db2.gz GBQJUFXWOICJGL-LBPRGKRZSA-N 1 0 323.397 1.288 20 5 DDBDRO CCN1CCN(CCn2c(C)ncc2[N+](=O)[O-])C(C)(C)C1=O ZINC000602810099 359206813 /nfs/dbraw/zinc/20/68/13/359206813.db2.gz CPWGHARWWSAAQR-UHFFFAOYSA-N 1 0 309.370 1.042 20 5 DDBDRO C[C@@H]1CC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@H](CO)C1 ZINC000602931189 359300503 /nfs/dbraw/zinc/30/05/03/359300503.db2.gz MJZOEUBALIEKHX-VHDGCEQUSA-N 1 0 324.377 1.427 20 5 DDBDRO O=[N+]([O-])c1ccc(Cn2cc(C[C@H]3CC[NH2+]C3)nn2)c(F)c1 ZINC000603222746 359493632 /nfs/dbraw/zinc/49/36/32/359493632.db2.gz CQXFJKVKMCSFAX-SNVBAGLBSA-N 1 0 305.313 1.526 20 5 DDBDRO CCOc1cc(Cn2cc(CC[NH+](C)C)nn2)ccc1[N+](=O)[O-] ZINC000603237030 359505562 /nfs/dbraw/zinc/50/55/62/359505562.db2.gz IRMHYXXVXVHQOZ-UHFFFAOYSA-N 1 0 319.365 1.737 20 5 DDBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000187152956 200069015 /nfs/dbraw/zinc/06/90/15/200069015.db2.gz YMTUUGVSDHYAAQ-SNVBAGLBSA-N 1 0 308.338 1.109 20 5 DDBDRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000237537397 202275073 /nfs/dbraw/zinc/27/50/73/202275073.db2.gz HGZZKPSPUMAGRE-SMDDNHRTSA-N 1 0 307.350 1.702 20 5 DDBDRO CCO[C@@H]1CCC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000604436832 359750757 /nfs/dbraw/zinc/75/07/57/359750757.db2.gz ASQVPBYQBVPZDN-GDBMZVCRSA-N 1 0 324.377 1.835 20 5 DDBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000237540872 202276019 /nfs/dbraw/zinc/27/60/19/202276019.db2.gz SCLGTZMXRYBSAD-ZANVPECISA-N 1 0 309.391 1.929 20 5 DDBDRO O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC[NH2+]CC1 ZINC000237875460 202375206 /nfs/dbraw/zinc/37/52/06/202375206.db2.gz QMVRJICGIUUQIH-UHFFFAOYSA-N 1 0 315.333 1.216 20 5 DDBDRO [NH3+]C[C@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C1CC1 ZINC000237919460 202391618 /nfs/dbraw/zinc/39/16/18/202391618.db2.gz IVNXWKMYXUXZIF-ZDUSSCGKSA-N 1 0 318.377 1.662 20 5 DDBDRO COc1cc[nH+]c(N2CCN(c3cccnc3[N+](=O)[O-])CC2)c1 ZINC000609150266 360267101 /nfs/dbraw/zinc/26/71/01/360267101.db2.gz JUUZXWLJXBUSGN-UHFFFAOYSA-N 1 0 315.333 1.720 20 5 DDBDRO CC[C@@]1(CO)CCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000189655515 200433481 /nfs/dbraw/zinc/43/34/81/200433481.db2.gz XXJNXROHGCNSKT-HOCLYGCPSA-N 1 0 324.377 1.571 20 5 DDBDRO COCC[N@@H+]1CCC[C@@H](NC(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000609269196 360285957 /nfs/dbraw/zinc/28/59/57/360285957.db2.gz NABOLXQAHSWWKM-CQSZACIVSA-N 1 0 321.377 1.364 20 5 DDBDRO CC[NH+]1CCN([C@@H]2CCN(c3cccnc3[N+](=O)[O-])C2)CC1 ZINC000609288384 360288293 /nfs/dbraw/zinc/28/82/93/360288293.db2.gz PIJPTFZZEHSMPU-CYBMUJFWSA-N 1 0 305.382 1.206 20 5 DDBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cc([N+](=O)[O-])cn1C ZINC000609594379 360331041 /nfs/dbraw/zinc/33/10/41/360331041.db2.gz IWPJLKXTMGJXSH-GFCCVEGCSA-N 1 0 308.382 1.928 20 5 DDBDRO C[N@@H+]1CCC[C@@H](N2CCN(c3ccc([N+](=O)[O-])s3)CC2)C1 ZINC000609675065 360343047 /nfs/dbraw/zinc/34/30/47/360343047.db2.gz RFMBUGPEENNJKI-GFCCVEGCSA-N 1 0 310.423 1.873 20 5 DDBDRO Cc1cnc(N2CCC([N@H+](C)CCCO)CC2)c([N+](=O)[O-])c1 ZINC000610283985 360408904 /nfs/dbraw/zinc/40/89/04/360408904.db2.gz LREILMQQVXALGS-UHFFFAOYSA-N 1 0 308.382 1.581 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CC[C@@H](C(F)F)C2)c1 ZINC000611180230 360651946 /nfs/dbraw/zinc/65/19/46/360651946.db2.gz VGILWVDWTVSJCA-ZYHUDNBSSA-N 1 0 316.304 1.922 20 5 DDBDRO CC[N@@H+]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000611087679 360619015 /nfs/dbraw/zinc/61/90/15/360619015.db2.gz CEWKGZYAPWDYHL-LBPRGKRZSA-N 1 0 305.378 1.998 20 5 DDBDRO CC[N@@H+]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000611092572 360621500 /nfs/dbraw/zinc/62/15/00/360621500.db2.gz ZXWZEJLEPRSPTL-ZDUSSCGKSA-N 1 0 320.393 1.949 20 5 DDBDRO CC[N@@H+]1CCN([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000611092297 360621955 /nfs/dbraw/zinc/62/19/55/360621955.db2.gz ODQPXSBFMFBKHQ-CHWSQXEVSA-N 1 0 320.393 1.948 20 5 DDBDRO CCN(CCC[NH+]1CCCC1)c1ncc([N+](=O)[O-])cc1C(N)=O ZINC000190975995 200611611 /nfs/dbraw/zinc/61/16/11/200611611.db2.gz NPFHUAYUMIUMDS-UHFFFAOYSA-N 1 0 321.381 1.401 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292596651 223164639 /nfs/dbraw/zinc/16/46/39/223164639.db2.gz RIQXUGDPVHDKBY-OAHLLOKOSA-N 1 0 321.381 1.044 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])c(NC[C@@H](O)C[NH+]2CCCCC2)n1 ZINC000359079522 299322381 /nfs/dbraw/zinc/32/23/81/299322381.db2.gz BQGVWPFKVQKWQF-CYBMUJFWSA-N 1 0 308.382 1.865 20 5 DDBDRO Cc1nn(CCC(=O)N[C@@H]2CCC[NH2+][C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000193555669 201074285 /nfs/dbraw/zinc/07/42/85/201074285.db2.gz ICHIZOBKBGGNBO-BXKDBHETSA-N 1 0 309.370 1.055 20 5 DDBDRO C[NH+](C)C[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000193951420 201150958 /nfs/dbraw/zinc/15/09/58/201150958.db2.gz TYTIXFSALBFRJU-LLVKDONJSA-N 1 0 308.338 1.887 20 5 DDBDRO C[C@H](NC(=O)C[C@H]1CSCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000091135440 193001861 /nfs/dbraw/zinc/00/18/61/193001861.db2.gz KDNRZEQWCOKVOO-JQWIXIFHSA-N 1 0 309.391 1.867 20 5 DDBDRO [NH3+]CCCCC(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000566185759 304125872 /nfs/dbraw/zinc/12/58/72/304125872.db2.gz RDPGFKUJLRZOEE-LLVKDONJSA-N 1 0 307.354 1.132 20 5 DDBDRO CCC[C@H]1C[NH2+]CCN1C(=O)CCn1nc(C)c([N+](=O)[O-])c1C ZINC000359225250 299364555 /nfs/dbraw/zinc/36/45/55/299364555.db2.gz TUGLBTVMYDIDHR-ZDUSSCGKSA-N 1 0 323.397 1.399 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[NH2+]C[C@@H]1C(F)F ZINC000566242691 304132142 /nfs/dbraw/zinc/13/21/42/304132142.db2.gz IMQRSJZAFSPZOE-LLVKDONJSA-N 1 0 301.293 1.642 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[NH2+]C[C@H]1C(F)F ZINC000566242692 304132156 /nfs/dbraw/zinc/13/21/56/304132156.db2.gz IMQRSJZAFSPZOE-NSHDSACASA-N 1 0 301.293 1.642 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1CN(CCC[NH3+])Cc1ccccc1 ZINC000359271898 299389269 /nfs/dbraw/zinc/38/92/69/299389269.db2.gz HGJKLGZYSJZBPC-UHFFFAOYSA-N 1 0 303.366 1.679 20 5 DDBDRO C[NH2+][C@H](C)CNC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000261750705 203108843 /nfs/dbraw/zinc/10/88/43/203108843.db2.gz NJGOBAYLZPJOGT-MRVPVSSYSA-N 1 0 313.379 1.663 20 5 DDBDRO Cc1ccc(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1[N+](=O)[O-] ZINC000261797605 203119645 /nfs/dbraw/zinc/11/96/45/203119645.db2.gz MIRRLOKVODWBTA-OKILXGFUSA-N 1 0 303.362 1.975 20 5 DDBDRO Cc1ccc(C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)cc1[N+](=O)[O-] ZINC000261816776 203124150 /nfs/dbraw/zinc/12/41/50/203124150.db2.gz GWYYBJKUOWJGAH-AWEZNQCLSA-N 1 0 318.377 1.023 20 5 DDBDRO COc1cc(C(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000262514322 203315293 /nfs/dbraw/zinc/31/52/93/203315293.db2.gz NFHBLRSAPHUTAX-PWSUYJOCSA-N 1 0 307.350 1.803 20 5 DDBDRO O=C(N[C@H]1CC[NH2+]C1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000127476777 284205051 /nfs/dbraw/zinc/20/50/51/284205051.db2.gz SJYGKAAXCXQXML-QMMMGPOBSA-N 1 0 303.240 1.705 20 5 DDBDRO COCC[N@@H+]1CC[C@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000264593105 204014690 /nfs/dbraw/zinc/01/46/90/204014690.db2.gz LUHWOTJXLCGPDA-LBPRGKRZSA-N 1 0 308.338 1.437 20 5 DDBDRO CN1CC[N@H+](C)C[C@H]1CNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000264821338 204183945 /nfs/dbraw/zinc/18/39/45/204183945.db2.gz XUCLYZWBXHSKLE-GFCCVEGCSA-N 1 0 315.377 1.801 20 5 DDBDRO O=C(COc1cccc([N+](=O)[O-])c1)N1CC[NH+](C2CCC2)CC1 ZINC000265039524 204359288 /nfs/dbraw/zinc/35/92/88/204359288.db2.gz YNTMFLGDPRSYRK-UHFFFAOYSA-N 1 0 319.361 1.670 20 5 DDBDRO O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1CC[NH+](C2CCC2)CC1 ZINC000265077297 204382325 /nfs/dbraw/zinc/38/23/25/204382325.db2.gz PJYNSRBSPDQQMX-UHFFFAOYSA-N 1 0 306.322 1.006 20 5 DDBDRO COc1ccc(CC(=O)N(C2CC2)[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000566556128 304168195 /nfs/dbraw/zinc/16/81/95/304168195.db2.gz BNNCTHUNJRQVAS-ZDUSSCGKSA-N 1 0 319.361 1.499 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000351479211 284332054 /nfs/dbraw/zinc/33/20/54/284332054.db2.gz QQARQOSUXSUHMY-RWMBFGLXSA-N 1 0 318.377 1.511 20 5 DDBDRO CC(C)(C(=O)N1C[C@H]2C[NH2+]C[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000359400873 299434141 /nfs/dbraw/zinc/43/41/41/299434141.db2.gz DMBBIEMFMBKNQF-VXGBXAGGSA-N 1 0 303.362 1.550 20 5 DDBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000267660626 206202874 /nfs/dbraw/zinc/20/28/74/206202874.db2.gz ZKFPPDTWCDGLCT-UONOGXRCSA-N 1 0 323.393 1.281 20 5 DDBDRO O=C(c1c[nH]nc1[N+](=O)[O-])N1CCC[N@H+](CC2CCC2)CC1 ZINC000566960567 304189635 /nfs/dbraw/zinc/18/96/35/304189635.db2.gz QAUGPVQYHJKMRP-UHFFFAOYSA-N 1 0 307.354 1.266 20 5 DDBDRO CC[NH+](CC)[C@H]1CCN(C(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000174171692 248359393 /nfs/dbraw/zinc/35/93/93/248359393.db2.gz PKKSOCHOIOREET-ZDUSSCGKSA-N 1 0 321.377 1.916 20 5 DDBDRO Cc1c(Cl)cc(S(=O)(=O)NCCCC[NH3+])cc1[N+](=O)[O-] ZINC000037714606 182919111 /nfs/dbraw/zinc/91/91/11/182919111.db2.gz PMLUBXRWSOIGGB-UHFFFAOYSA-N 1 0 321.786 1.574 20 5 DDBDRO COCC(=O)N1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000336850618 249255909 /nfs/dbraw/zinc/25/59/09/249255909.db2.gz XZJWBSNVDDBNTB-UHFFFAOYSA-N 1 0 307.350 1.322 20 5 DDBDRO Cc1cc(N(C)CCOCCO)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000336862782 249270632 /nfs/dbraw/zinc/27/06/32/249270632.db2.gz GZNWSXTYZLADMA-UHFFFAOYSA-N 1 0 305.334 1.897 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](C)[C@H](C)CO ZINC000274007798 211265115 /nfs/dbraw/zinc/26/51/15/211265115.db2.gz LIYLIEYESVYSNE-NEPJUHHUSA-N 1 0 309.366 1.838 20 5 DDBDRO CO[C@H]1C[C@@H](CN(C)C(=O)c2ccc([N+](=O)[O-])cc2C)[N@H+](C)C1 ZINC000284569737 218081982 /nfs/dbraw/zinc/08/19/82/218081982.db2.gz HRZFEQSRBSLGQL-KBPBESRZSA-N 1 0 321.377 1.694 20 5 DDBDRO CCNC(=O)C[C@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000284794152 218180231 /nfs/dbraw/zinc/18/02/31/218180231.db2.gz OERPLHXNHHGJDD-GFCCVEGCSA-N 1 0 309.370 1.172 20 5 DDBDRO CC[C@@H]1CN(Cc2ccccc2[N+](=O)[O-])CC[N@@H+]1C[C@@H](C)O ZINC000105825723 194138083 /nfs/dbraw/zinc/13/80/83/194138083.db2.gz XGLYJJYLFLZQPJ-UKRRQHHQSA-N 1 0 307.394 1.872 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC[C@@H]([NH+](C)C)C1 ZINC000109808060 194287786 /nfs/dbraw/zinc/28/77/86/194287786.db2.gz IFGAZMWNCCWKGI-CQSZACIVSA-N 1 0 320.393 1.868 20 5 DDBDRO CN(C(=O)CN1CCC[C@@H]([NH+](C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000109805714 194288838 /nfs/dbraw/zinc/28/88/38/194288838.db2.gz HTASMSKCIBNRHM-OAHLLOKOSA-N 1 0 320.393 1.584 20 5 DDBDRO Cc1n[nH]c(C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c1[N+](=O)[O-] ZINC000269110142 207249539 /nfs/dbraw/zinc/24/95/39/207249539.db2.gz IESJCWOIFWESRD-QWRGUYRKSA-N 1 0 307.354 1.183 20 5 DDBDRO C[C@@H]1CN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC[C@@H]1[NH3+] ZINC000269175281 207296663 /nfs/dbraw/zinc/29/66/63/207296663.db2.gz BMJWXEPDFSPFTO-KCJUWKMLSA-N 1 0 303.322 1.280 20 5 DDBDRO C[C@H](NC(=O)CCOc1ccccc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000269197610 207318669 /nfs/dbraw/zinc/31/86/69/207318669.db2.gz LWHAMQOHHZKNGN-STQMWFEESA-N 1 0 321.377 1.868 20 5 DDBDRO Cc1c(C(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000269205955 207324530 /nfs/dbraw/zinc/32/45/30/207324530.db2.gz LXKKYYONYDADEC-QPUJVOFHSA-N 1 0 322.321 1.621 20 5 DDBDRO O=C(Cn1ccc([N+](=O)[O-])n1)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000269230122 207354488 /nfs/dbraw/zinc/35/44/88/207354488.db2.gz VGRCRUYBKZAQNB-UHFFFAOYSA-N 1 0 301.306 1.076 20 5 DDBDRO CO[C@@H]1[C@H](C)[C@H]([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)C1(C)C ZINC000295833046 532982244 /nfs/dbraw/zinc/98/22/44/532982244.db2.gz CSJPTCWKYDKNJH-DDTOSNHZSA-N 1 0 309.366 1.406 20 5 DDBDRO Cc1c(NC(=O)[C@H](C)[N@H+](CCO)CC2CC2)cccc1[N+](=O)[O-] ZINC000352468814 285073199 /nfs/dbraw/zinc/07/31/99/285073199.db2.gz VBJDIYPMSQTOLY-LBPRGKRZSA-N 1 0 321.377 1.935 20 5 DDBDRO O=C(NC[C@@H]1CC[NH2+]C1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000273003348 210380798 /nfs/dbraw/zinc/38/07/98/210380798.db2.gz HXFYZMDMDCCFEH-SECBINFHSA-N 1 0 316.317 1.188 20 5 DDBDRO CNc1nc(C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000455838565 533079707 /nfs/dbraw/zinc/07/97/07/533079707.db2.gz BNYBCQZIDVJHEY-QWRGUYRKSA-N 1 0 321.381 1.634 20 5 DDBDRO Cc1nn(CCC(=O)N[C@@H]2CCC[C@@H]2C[NH3+])c(C)c1[N+](=O)[O-] ZINC000158068616 197240979 /nfs/dbraw/zinc/24/09/79/197240979.db2.gz VWUXJDQZDKNSSU-VXGBXAGGSA-N 1 0 309.370 1.042 20 5 DDBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000157019864 197156299 /nfs/dbraw/zinc/15/62/99/197156299.db2.gz PBCGEQMXEZFIFI-TZMCWYRMSA-N 1 0 318.377 1.733 20 5 DDBDRO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[C@@H]1O ZINC000352657689 285201758 /nfs/dbraw/zinc/20/17/58/285201758.db2.gz BYTRMFTTXVUSFK-KBPBESRZSA-N 1 0 307.350 1.769 20 5 DDBDRO C[C@@H](NC(=O)NCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[NH2+]C1 ZINC000417212695 533169456 /nfs/dbraw/zinc/16/94/56/533169456.db2.gz BEJIYIZOWOPIEV-TZMCWYRMSA-N 1 0 320.393 1.825 20 5 DDBDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000120824618 195244954 /nfs/dbraw/zinc/24/49/54/195244954.db2.gz ISKSAPBSEQVQAI-LLVKDONJSA-N 1 0 322.365 1.546 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+] ZINC000422720925 533221956 /nfs/dbraw/zinc/22/19/56/533221956.db2.gz UFTMFVYNVCUXSD-LERXQTSPSA-N 1 0 309.366 1.445 20 5 DDBDRO Cc1cc(C)c(OC[C@H](O)CN2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000414146201 224305181 /nfs/dbraw/zinc/30/51/81/224305181.db2.gz QCQYUENHUCPSGY-CQSZACIVSA-N 1 0 323.393 1.199 20 5 DDBDRO CC(C)[C@@](C)(CO)[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000352894001 285368099 /nfs/dbraw/zinc/36/80/99/285368099.db2.gz QOYAIRNJFYDKAI-OAHLLOKOSA-N 1 0 310.350 1.958 20 5 DDBDRO COc1cc(C(=O)NCC[C@H]2CC[NH2+]C2)cc([N+](=O)[O-])c1C ZINC000422807986 533535348 /nfs/dbraw/zinc/53/53/48/533535348.db2.gz PPPVKTGEGHEEGE-LLVKDONJSA-N 1 0 307.350 1.641 20 5 DDBDRO C[C@H](NC(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccccc1[N+](=O)[O-] ZINC000417988178 533608843 /nfs/dbraw/zinc/60/88/43/533608843.db2.gz RVMDRWJGCLDJTM-RWMBFGLXSA-N 1 0 318.377 1.907 20 5 DDBDRO COc1ccc(CNC(=O)NC[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000417183036 533615895 /nfs/dbraw/zinc/61/58/95/533615895.db2.gz AKYBJSSXYBXCDY-GFCCVEGCSA-N 1 0 322.365 1.402 20 5 DDBDRO Cc1n[nH]c(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)c1[N+](=O)[O-] ZINC000299461915 533665459 /nfs/dbraw/zinc/66/54/59/533665459.db2.gz ZVIGWQNDFHVQEV-VIFPVBQESA-N 1 0 323.378 1.721 20 5 DDBDRO O=C(NCc1cccc([N+](=O)[O-])c1)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000568744957 304309065 /nfs/dbraw/zinc/30/90/65/304309065.db2.gz KVXJYQWTZPCOQL-NSHDSACASA-N 1 0 315.333 1.325 20 5 DDBDRO NC(=O)c1ccc(N2CC[C@@H]([NH+]3CC=CC3)C2)c([N+](=O)[O-])c1 ZINC000360482752 299675570 /nfs/dbraw/zinc/67/55/70/299675570.db2.gz HTVNWZAGLKORFD-GFCCVEGCSA-N 1 0 302.334 1.144 20 5 DDBDRO C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC001120519682 782000961 /nfs/dbraw/zinc/00/09/61/782000961.db2.gz NTRURPSGUZXZIT-TZMCWYRMSA-N 1 0 320.393 1.682 20 5 DDBDRO CNc1ccc(C(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000569926890 304384615 /nfs/dbraw/zinc/38/46/15/304384615.db2.gz YASKPGDCHTUPJX-ZYHUDNBSSA-N 1 0 306.366 1.884 20 5 DDBDRO O=C(CNc1ccccc1[N+](=O)[O-])N[C@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000361118540 299803659 /nfs/dbraw/zinc/80/36/59/299803659.db2.gz VMSPTAZZFUGCMF-JSGCOSHPSA-N 1 0 318.377 1.511 20 5 DDBDRO CCCc1n[nH]c(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c1[N+](=O)[O-] ZINC000073991418 406898165 /nfs/dbraw/zinc/89/81/65/406898165.db2.gz WHVJUKOBDKNFMQ-MNOVXSKESA-N 1 0 321.381 1.579 20 5 DDBDRO COCC[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])CC(C)C ZINC000026450232 406904822 /nfs/dbraw/zinc/90/48/22/406904822.db2.gz JOJYPJAYVTVHJL-UHFFFAOYSA-N 1 0 309.366 1.798 20 5 DDBDRO CC[C@H]([NH2+]C[C@H](O)CN1CCCC1=O)c1cccc([N+](=O)[O-])c1 ZINC000089515124 407138299 /nfs/dbraw/zinc/13/82/99/407138299.db2.gz DUEYZMVZBTYISY-GJZGRUSLSA-N 1 0 321.377 1.619 20 5 DDBDRO C[C@@H]1C[C@@H](N(C)C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC[N@@H+]1C ZINC000123246790 407323778 /nfs/dbraw/zinc/32/37/78/407323778.db2.gz WHTUENXVUYFUOZ-NEPJUHHUSA-N 1 0 323.397 1.468 20 5 DDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[NH2+]C2)cc1OC ZINC000126501191 407415519 /nfs/dbraw/zinc/41/55/19/407415519.db2.gz PERCDMROUMOIMD-SECBINFHSA-N 1 0 309.322 1.094 20 5 DDBDRO C[C@H]1CN(CCn2cc([N+](=O)[O-])cn2)CCN1CC(F)(F)F ZINC000127957967 407482256 /nfs/dbraw/zinc/48/22/56/407482256.db2.gz DAJKZMCVQHIQSW-JTQLQIEISA-N 1 0 321.303 1.360 20 5 DDBDRO COC(=O)C(C)(C)C[NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000151835251 407506691 /nfs/dbraw/zinc/50/66/91/407506691.db2.gz RXWCCQKESHLJRU-SNVBAGLBSA-N 1 0 323.349 1.711 20 5 DDBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)[C@@H]1COc2ccccc21 ZINC000185578132 407456004 /nfs/dbraw/zinc/45/60/04/407456004.db2.gz ISNNRCFHLBFJMM-RISCZKNCSA-N 1 0 302.334 1.946 20 5 DDBDRO C[NH+]1CCC(Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC1 ZINC000170639339 407461672 /nfs/dbraw/zinc/46/16/72/407461672.db2.gz JKUXGBYNYDTSFN-UHFFFAOYSA-N 1 0 304.350 1.986 20 5 DDBDRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000128584482 407551724 /nfs/dbraw/zinc/55/17/24/407551724.db2.gz WVVOJZHGEQMZSK-VXGBXAGGSA-N 1 0 307.350 1.750 20 5 DDBDRO O=C(NC[C@@H]1CCC[NH2+]1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000178758549 407587145 /nfs/dbraw/zinc/58/71/45/407587145.db2.gz JAJRYWSZWLRXHH-NSHDSACASA-N 1 0 315.333 1.262 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC(C[NH3+])CC1 ZINC000260329612 407537284 /nfs/dbraw/zinc/53/72/84/407537284.db2.gz ASWNQAROEAYJTH-UHFFFAOYSA-N 1 0 306.366 1.512 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000228156684 407644353 /nfs/dbraw/zinc/64/43/53/407644353.db2.gz GGUKFWDCEHVOKT-QWRGUYRKSA-N 1 0 313.379 1.261 20 5 DDBDRO COc1cc(C(=O)N2CC[C@H](OC)C[C@@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000261866486 407646884 /nfs/dbraw/zinc/64/68/84/407646884.db2.gz KXBLKGNNUNYESD-NEPJUHHUSA-N 1 0 323.349 1.182 20 5 DDBDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000271357146 407649645 /nfs/dbraw/zinc/64/96/45/407649645.db2.gz FVTFYVODFCOMRK-GFCCVEGCSA-N 1 0 323.397 1.426 20 5 DDBDRO COc1cc(CCNC(=O)C[NH2+]C2CC2)c([N+](=O)[O-])cc1OC ZINC000178910430 407653495 /nfs/dbraw/zinc/65/34/95/407653495.db2.gz RIJFDEZMQPECQG-UHFFFAOYSA-N 1 0 323.349 1.023 20 5 DDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000178949871 407671877 /nfs/dbraw/zinc/67/18/77/407671877.db2.gz GHILPWQYEOVCPQ-LBPRGKRZSA-N 1 0 313.379 1.140 20 5 DDBDRO CCCC[C@H](C[NH3+])NS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000178969969 407676690 /nfs/dbraw/zinc/67/66/90/407676690.db2.gz IQRAEVOVHIPFBS-LLVKDONJSA-N 1 0 315.395 1.699 20 5 DDBDRO C[NH2+]C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)C1 ZINC000179002928 407687340 /nfs/dbraw/zinc/68/73/40/407687340.db2.gz WXVVFKBSSQRIQN-SNVBAGLBSA-N 1 0 322.321 1.493 20 5 DDBDRO COc1ccc(C(=O)N(C)CC[N@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000186715202 407752712 /nfs/dbraw/zinc/75/27/12/407752712.db2.gz YVNFKNOKBXMHBN-UHFFFAOYSA-N 1 0 307.350 1.770 20 5 DDBDRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000186705358 407751244 /nfs/dbraw/zinc/75/12/44/407751244.db2.gz XPIMQBQFJJMELX-YPMHNXCESA-N 1 0 306.366 1.511 20 5 DDBDRO C[N@@H+]1CCC[C@@H](CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000171756289 407762396 /nfs/dbraw/zinc/76/23/96/407762396.db2.gz XRYWMKUHTBHVAU-ZDUSSCGKSA-N 1 0 306.366 1.736 20 5 DDBDRO C[NH+](C)C[C@@H]1CN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CCO1 ZINC000116788444 407776346 /nfs/dbraw/zinc/77/63/46/407776346.db2.gz YTVLYEUKMLPIJE-HSBSLETESA-N 1 0 319.361 1.397 20 5 DDBDRO CC[C@H]([NH2+]CC1(C(N)=O)CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000153172219 407768724 /nfs/dbraw/zinc/76/87/24/407768724.db2.gz CGWILPMVZHIYBM-AWEZNQCLSA-N 1 0 321.377 1.918 20 5 DDBDRO CCOc1ccc(C(=O)N2CCC[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000236900703 407781714 /nfs/dbraw/zinc/78/17/14/407781714.db2.gz SBVUHLBMAVXCLV-NSHDSACASA-N 1 0 307.350 1.804 20 5 DDBDRO COc1ccc(CNC[C@@H](O)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000237176228 407804198 /nfs/dbraw/zinc/80/41/98/407804198.db2.gz OQDKVVORJKOMPF-CYBMUJFWSA-N 1 0 309.366 1.150 20 5 DDBDRO CO[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2C)[C@H](C[NH3+])C1 ZINC000262337212 407804948 /nfs/dbraw/zinc/80/49/48/407804948.db2.gz TZDRVPNJEJWQNI-NWDGAFQWSA-N 1 0 307.350 1.482 20 5 DDBDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])C1 ZINC000272185219 407808467 /nfs/dbraw/zinc/80/84/67/407808467.db2.gz DOKDQONNFNDELJ-NEPJUHHUSA-N 1 0 306.366 1.227 20 5 DDBDRO COCC[N@H+](C)CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000117336216 407830504 /nfs/dbraw/zinc/83/05/04/407830504.db2.gz WLGFQWUZOHLDAX-UHFFFAOYSA-N 1 0 309.322 1.471 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000187681835 407876257 /nfs/dbraw/zinc/87/62/57/407876257.db2.gz GAVVBQOOGJOHDK-KGLIPLIRSA-N 1 0 307.394 1.963 20 5 DDBDRO C[C@H]([NH2+]CC(=O)NC(=O)NC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000180434775 407889356 /nfs/dbraw/zinc/88/93/56/407889356.db2.gz YKXDVIOMBYDKBE-JTQLQIEISA-N 1 0 322.365 1.870 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H]1CCC[N@H+]1C ZINC000118107033 407891112 /nfs/dbraw/zinc/89/11/12/407891112.db2.gz KIBXOIJXNGMCCE-GFCCVEGCSA-N 1 0 320.349 1.052 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[N@@H+](C)C[C@H]1C(C)C ZINC000153770678 407897821 /nfs/dbraw/zinc/89/78/21/407897821.db2.gz RGUCPRBJQNBCNY-ZDUSSCGKSA-N 1 0 323.397 1.288 20 5 DDBDRO CC(=O)NC[C@@H]1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000153784860 407900404 /nfs/dbraw/zinc/90/04/04/407900404.db2.gz WDIVRPSSFFXETD-BBRMVZONSA-N 1 0 321.377 1.476 20 5 DDBDRO CC[NH2+][C@H](C)CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000262488780 407846989 /nfs/dbraw/zinc/84/69/89/407846989.db2.gz UDSQZKAKQIDOOA-LLVKDONJSA-N 1 0 317.349 1.508 20 5 DDBDRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000262878594 407960731 /nfs/dbraw/zinc/96/07/31/407960731.db2.gz VRYIFOJOOFWTRW-KWQFWETISA-N 1 0 303.322 1.199 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000273053832 408034615 /nfs/dbraw/zinc/03/46/15/408034615.db2.gz XNCXPUDBIUDDHD-MRXNPFEDSA-N 1 0 320.393 1.780 20 5 DDBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)NC2CCOCC2)cc1[N+](=O)[O-] ZINC000181832367 408043188 /nfs/dbraw/zinc/04/31/88/408043188.db2.gz ZODLZTVYKHNTOE-GFCCVEGCSA-N 1 0 321.377 1.849 20 5 DDBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)NC(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000181821796 408044119 /nfs/dbraw/zinc/04/41/19/408044119.db2.gz JKYIFHZOXKKXGE-JTQLQIEISA-N 1 0 320.349 1.542 20 5 DDBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000272601489 408000124 /nfs/dbraw/zinc/00/01/24/408000124.db2.gz HERRHLAHXCIDNP-SKDRFNHKSA-N 1 0 304.350 1.390 20 5 DDBDRO CC[C@@H]1C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000273121060 408064107 /nfs/dbraw/zinc/06/41/07/408064107.db2.gz HMMOILAFVIHNSM-MBNYWOFBSA-N 1 0 310.350 1.037 20 5 DDBDRO COC(=O)c1cc(N2CCC[N@H+](C)CC2)cc(C)c1[N+](=O)[O-] ZINC000268518329 408081230 /nfs/dbraw/zinc/08/12/30/408081230.db2.gz ZBQQDHXYAGQEQN-UHFFFAOYSA-N 1 0 307.350 1.832 20 5 DDBDRO CNC(=O)CCC[N@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000154833232 408091130 /nfs/dbraw/zinc/09/11/30/408091130.db2.gz QYKAKFJFIFGRCA-UHFFFAOYSA-N 1 0 309.366 1.822 20 5 DDBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000119581599 408099523 /nfs/dbraw/zinc/09/95/23/408099523.db2.gz VLMKQDMUEHLALU-ZDUSSCGKSA-N 1 0 323.397 1.276 20 5 DDBDRO COC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000136636410 408116651 /nfs/dbraw/zinc/11/66/51/408116651.db2.gz ZDQKPOXMCPOTRL-GXFFZTMASA-N 1 0 307.350 1.936 20 5 DDBDRO CCc1n[nH]c(C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000175444856 408133927 /nfs/dbraw/zinc/13/39/27/408133927.db2.gz ATXCHLFKKPOIFI-ZJUUUORDSA-N 1 0 309.370 1.483 20 5 DDBDRO Cc1c([C@H](C)[NH2+]C[C@H]2CCS(=O)(=O)C2)cccc1[N+](=O)[O-] ZINC000268733122 408183219 /nfs/dbraw/zinc/18/32/19/408183219.db2.gz CSJVQZHHOHTWMV-NWDGAFQWSA-N 1 0 312.391 1.989 20 5 DDBDRO CC[N@H+](CCNC(=O)CCNc1ccccc1[N+](=O)[O-])C1CC1 ZINC000263739977 408235949 /nfs/dbraw/zinc/23/59/49/408235949.db2.gz OHBKVVRMCCAVGW-UHFFFAOYSA-N 1 0 320.393 1.997 20 5 DDBDRO Cc1c(NC(=O)[C@H](C)N2CC[C@H](CO)C2)cccc1[N+](=O)[O-] ZINC000269488370 408326662 /nfs/dbraw/zinc/32/66/62/408326662.db2.gz YCYXKXZYWNMJAA-RYUDHWBXSA-N 1 0 307.350 1.544 20 5 DDBDRO C[C@@H]1C[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@H]1CO ZINC000190851721 408330574 /nfs/dbraw/zinc/33/05/74/408330574.db2.gz CPMRGUWYRXHPAV-NEPJUHHUSA-N 1 0 307.350 1.118 20 5 DDBDRO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000246810256 408344626 /nfs/dbraw/zinc/34/46/26/408344626.db2.gz DGQAWKPSBNGHOA-ZYHUDNBSSA-N 1 0 306.366 1.636 20 5 DDBDRO C[NH2+]CCN(C)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000165288180 162160071 /nfs/dbraw/zinc/16/00/71/162160071.db2.gz WFPZSWXAZHGUMY-UHFFFAOYSA-N 1 0 316.155 1.649 20 5 DDBDRO Cc1ccc(S(=O)(=O)N(C)[C@H](C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000159945063 408447725 /nfs/dbraw/zinc/44/77/25/408447725.db2.gz AOJULSPCAGSGFM-CYBMUJFWSA-N 1 0 313.379 1.261 20 5 DDBDRO CC(C)[N@@H+]1CCC[C@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000274466379 408415293 /nfs/dbraw/zinc/41/52/93/408415293.db2.gz KRKSQUOFAIIPAE-LBPRGKRZSA-N 1 0 309.370 1.170 20 5 DDBDRO CCOC(=O)[C@](C)(O)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000274671088 408489121 /nfs/dbraw/zinc/48/91/21/408489121.db2.gz SMIZFFYUXRXEKP-IAQYHMDHSA-N 1 0 310.350 1.868 20 5 DDBDRO C[N@H+](CCCO)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000270361299 408502560 /nfs/dbraw/zinc/50/25/60/408502560.db2.gz JEOCTXZMSQMBLA-UHFFFAOYSA-N 1 0 321.377 1.514 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000248374872 408553030 /nfs/dbraw/zinc/55/30/30/408553030.db2.gz USQXRHZWBVNUCK-KBPBESRZSA-N 1 0 321.377 1.115 20 5 DDBDRO CC1(C)[C@@H]2C[N@@H+](C[C@@H](O)COc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000248450626 408569317 /nfs/dbraw/zinc/56/93/17/408569317.db2.gz IRFXERZWUUJQAI-UPJWGTAASA-N 1 0 306.362 1.922 20 5 DDBDRO C[C@@]1(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)CCC[NH2+]C1 ZINC000161312902 408587160 /nfs/dbraw/zinc/58/71/60/408587160.db2.gz KZQAOTRYJYQFNA-OAHLLOKOSA-N 1 0 306.366 1.513 20 5 DDBDRO C[NH2+]C[C@H]1CCCN1C(=O)CCn1nc(C)c([N+](=O)[O-])c1C ZINC000161380015 408597479 /nfs/dbraw/zinc/59/74/79/408597479.db2.gz BRDFFRWCHBSSQT-GFCCVEGCSA-N 1 0 309.370 1.009 20 5 DDBDRO CC(C)(C[NH3+])C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000160914441 408540774 /nfs/dbraw/zinc/54/07/74/408540774.db2.gz UGZSCLSIVXMJAC-UHFFFAOYSA-N 1 0 321.377 1.950 20 5 DDBDRO CCC[C@@H](C)[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000162104748 408672119 /nfs/dbraw/zinc/67/21/19/408672119.db2.gz ZKQVEQRCHRTSPS-LLVKDONJSA-N 1 0 315.395 1.651 20 5 DDBDRO C[C@H]([NH3+])CCNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000178665623 162677628 /nfs/dbraw/zinc/67/76/28/162677628.db2.gz MDXMTZHNBXGFTQ-JTQLQIEISA-N 1 0 303.322 1.248 20 5 DDBDRO COC(=O)[C@H](O)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000183393252 306710758 /nfs/dbraw/zinc/71/07/58/306710758.db2.gz XDZBPPHIRZYYGO-OAHLLOKOSA-N 1 0 322.361 1.649 20 5 DDBDRO C[C@@H](CNc1ncc([N+](=O)[O-])cc1Cl)N1CC[NH+](C)CC1 ZINC000265496217 408673859 /nfs/dbraw/zinc/67/38/59/408673859.db2.gz HFDBJHWYIBPLQX-JTQLQIEISA-N 1 0 313.789 1.691 20 5 DDBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000270748579 408663764 /nfs/dbraw/zinc/66/37/64/408663764.db2.gz IBOXBPLCIMFWFE-TXEJJXNPSA-N 1 0 323.397 1.426 20 5 DDBDRO C[C@@H](CNC(=O)c1nn(C)cc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000270847513 408706822 /nfs/dbraw/zinc/70/68/22/408706822.db2.gz XENUILWEIIWGMG-NSHDSACASA-N 1 0 309.370 1.179 20 5 DDBDRO C[C@@H]1CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)[C@@H](C(N)=O)C1 ZINC000249541356 408738991 /nfs/dbraw/zinc/73/89/91/408738991.db2.gz DZQTUDSYOUPWEN-IUODEOHRSA-N 1 0 321.377 1.950 20 5 DDBDRO Cc1c(CC(=O)N2CC[NH+](CC3CC3)CC2)cccc1[N+](=O)[O-] ZINC000162171263 408676498 /nfs/dbraw/zinc/67/64/98/408676498.db2.gz GZEQILLTIQNZKL-UHFFFAOYSA-N 1 0 317.389 2.000 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C)[C@H]1CCOC1 ZINC000163082121 408758721 /nfs/dbraw/zinc/75/87/21/408758721.db2.gz ZZURGYUHBOKZDX-RYUDHWBXSA-N 1 0 307.350 1.856 20 5 DDBDRO C[N@@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 ZINC000276134220 408822231 /nfs/dbraw/zinc/82/22/31/408822231.db2.gz BQFQEEXKUPHLOA-SNVBAGLBSA-N 1 0 313.379 1.362 20 5 DDBDRO CCC[C@]1([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CCOC1 ZINC000285655079 408835990 /nfs/dbraw/zinc/83/59/90/408835990.db2.gz SPTKBNGPWIIHDE-BBRMVZONSA-N 1 0 324.377 1.883 20 5 DDBDRO CCOCC[NH+]1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000276340072 408838766 /nfs/dbraw/zinc/83/87/66/408838766.db2.gz SZRWPANIHXQYNK-UHFFFAOYSA-N 1 0 311.357 1.888 20 5 DDBDRO C[C@@H]1C[N@H+](CCCNC(=O)c2ccccc2[N+](=O)[O-])CCCO1 ZINC000277343462 408922970 /nfs/dbraw/zinc/92/29/70/408922970.db2.gz BDMHSISYKDYSSX-CYBMUJFWSA-N 1 0 321.377 1.826 20 5 DDBDRO Nc1c(C(=O)N2CC[NH+]3CCC2CC3)cc(F)cc1[N+](=O)[O-] ZINC000188834111 163071196 /nfs/dbraw/zinc/07/11/96/163071196.db2.gz YJSKPRIOMFVLRN-UHFFFAOYSA-N 1 0 308.313 1.236 20 5 DDBDRO CN1CCCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1=O ZINC000191131572 163173545 /nfs/dbraw/zinc/17/35/45/163173545.db2.gz AJRBNTFULCVKES-UHFFFAOYSA-N 1 0 320.349 1.088 20 5 DDBDRO COC[C@@H](Cc1ccccc1)[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000191482912 163188886 /nfs/dbraw/zinc/18/88/86/163188886.db2.gz SSDLEKAQTBOUDK-OAHLLOKOSA-N 1 0 318.377 1.981 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H]1CCC[C@@H]1CCO ZINC000286172933 408935449 /nfs/dbraw/zinc/93/54/49/408935449.db2.gz OSUQJYPACXBHMV-DOMZBBRYSA-N 1 0 321.377 1.982 20 5 DDBDRO Cc1n[nH]c(C(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)c1[N+](=O)[O-] ZINC000286989438 409002962 /nfs/dbraw/zinc/00/29/62/409002962.db2.gz GXVHQJYVZHKGAX-GHMZBOCLSA-N 1 0 307.354 1.325 20 5 DDBDRO CNC(=O)[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000282825244 409064817 /nfs/dbraw/zinc/06/48/17/409064817.db2.gz YWTZTHYUIRYVLR-ZDUSSCGKSA-N 1 0 320.349 1.134 20 5 DDBDRO O=C(COc1ccccc1[N+](=O)[O-])N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000293507975 409127405 /nfs/dbraw/zinc/12/74/05/409127405.db2.gz SVSYDSKKCRIDKS-RYUDHWBXSA-N 1 0 305.334 1.184 20 5 DDBDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)c3cccc([N+](=O)[O-])c3N)C2)C1 ZINC000293861864 409196095 /nfs/dbraw/zinc/19/60/95/409196095.db2.gz KQOLGHFJYFBELY-OAHLLOKOSA-N 1 0 304.350 1.345 20 5 DDBDRO CN(C(=O)C[NH2+][C@@H]1CCC[C@@H]1CCO)c1ccc([N+](=O)[O-])cc1 ZINC000279289290 409185179 /nfs/dbraw/zinc/18/51/79/409185179.db2.gz PGDBHBQBAJDXNR-IUODEOHRSA-N 1 0 321.377 1.698 20 5 DDBDRO CN(C)c1cc(F)c(C(=O)NC[C@@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000294908298 409306545 /nfs/dbraw/zinc/30/65/45/409306545.db2.gz SCBNOVICCTYEFS-JTQLQIEISA-N 1 0 324.356 1.624 20 5 DDBDRO NC(=O)c1ccnc(NCCC[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000290606795 409458849 /nfs/dbraw/zinc/45/88/49/409458849.db2.gz ZTKNGLVULXSJJM-UHFFFAOYSA-N 1 0 307.354 1.377 20 5 DDBDRO C[C@H](CN1CCOCC1)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285176790 409403207 /nfs/dbraw/zinc/40/32/07/409403207.db2.gz BLASBPBJJFAWBI-CQSZACIVSA-N 1 0 307.394 1.790 20 5 DDBDRO C[N@H+](C[C@H](O)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1)C1CC1 ZINC000290537584 409435943 /nfs/dbraw/zinc/43/59/43/409435943.db2.gz DTQIQFVJXBSAIV-INIZCTEOSA-N 1 0 316.361 1.913 20 5 DDBDRO C[C@@]1(C(N)=O)CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000280751904 409438857 /nfs/dbraw/zinc/43/88/57/409438857.db2.gz NJSKHLWOVPVUHQ-CQSZACIVSA-N 1 0 304.306 1.433 20 5 DDBDRO O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)c1ccccc1[N+](=O)[O-] ZINC000295339791 409443127 /nfs/dbraw/zinc/44/31/27/409443127.db2.gz DPDKKVZKOWWJOO-GFCCVEGCSA-N 1 0 307.350 1.171 20 5 DDBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000408068535 164215621 /nfs/dbraw/zinc/21/56/21/164215621.db2.gz IONRIVIXBLOTBE-GRYCIOLGSA-N 1 0 321.381 1.795 20 5 DDBDRO O=C(CC[N@H+]1CCC[C@H](CO)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000303040567 409525427 /nfs/dbraw/zinc/52/54/27/409525427.db2.gz NLZMPNDHFPSUKG-LBPRGKRZSA-N 1 0 307.350 1.628 20 5 DDBDRO CC[C@@H](C)[NH+]1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000297037897 409770824 /nfs/dbraw/zinc/77/08/24/409770824.db2.gz SNVIRCOCLPUCGC-CYBMUJFWSA-N 1 0 321.377 1.916 20 5 DDBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])n2C)C[C@H]1C ZINC000354439058 409854943 /nfs/dbraw/zinc/85/49/43/409854943.db2.gz 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C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C(C)(C)C(N)=O ZINC000298363002 410195804 /nfs/dbraw/zinc/19/58/04/410195804.db2.gz NCOUHVGNZLLPPL-UHFFFAOYSA-N 1 0 308.338 1.119 20 5 DDBDRO [NH3+][C@@H]1CCC[C@H]2CN(c3ccc4ncc([N+](=O)[O-])n4n3)C[C@H]21 ZINC000571423406 304460759 /nfs/dbraw/zinc/46/07/59/304460759.db2.gz SKPHKPNRBWVQNX-HBNTYKKESA-N 1 0 302.338 1.201 20 5 DDBDRO CCN(C)C(=O)CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000298486960 410253398 /nfs/dbraw/zinc/25/33/98/410253398.db2.gz WSIINXJIVYVVEY-UHFFFAOYSA-N 1 0 306.366 1.195 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@H](C)C[NH+](C)C ZINC000351772202 410220399 /nfs/dbraw/zinc/22/03/99/410220399.db2.gz YTWFZTNALHSCTO-SNVBAGLBSA-N 1 0 310.354 1.353 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1CCC[N@H+](C)[C@H]1C ZINC000343444143 410458824 /nfs/dbraw/zinc/45/88/24/410458824.db2.gz BACASZCRRBFRGP-CMPLNLGQSA-N 1 0 309.370 1.089 20 5 DDBDRO Cc1nn(CCC(=O)N[C@H]2CCC[N@H+](C)[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000343459879 410469920 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20 5 DDBDRO C[C@H](CNC(=O)N[C@@H]1CCC[NH2+]C1)c1ccccc1[N+](=O)[O-] ZINC001120544367 782015733 /nfs/dbraw/zinc/01/57/33/782015733.db2.gz RQWRKDQWVROFEQ-VXGBXAGGSA-N 1 0 306.366 1.750 20 5 DDBDRO Cn1c(C(=O)NCC[N@H+](C)C2CCCCC2)ccc1[N+](=O)[O-] ZINC000330529165 410751924 /nfs/dbraw/zinc/75/19/24/410751924.db2.gz QUDLHIZSIUCCAF-UHFFFAOYSA-N 1 0 308.382 1.928 20 5 DDBDRO O=C(CC[N@H+]1CCC[C@H]1CCO)Nc1ccccc1[N+](=O)[O-] ZINC000337409950 410763156 /nfs/dbraw/zinc/76/31/56/410763156.db2.gz LCCGQADXXQZTFB-LBPRGKRZSA-N 1 0 307.350 1.770 20 5 DDBDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000347885065 410772953 /nfs/dbraw/zinc/77/29/53/410772953.db2.gz ZKLRCVGHKBUSOF-VXGBXAGGSA-N 1 0 318.381 2.312 20 5 DDBDRO CC(C)(C)C1=CC[N@H+](CCNC(=O)c2[nH]ncc2[N+](=O)[O-])CC1 ZINC000330610470 410824965 /nfs/dbraw/zinc/82/49/65/410824965.db2.gz UPEOCZUUGXPFHJ-UHFFFAOYSA-N 1 0 321.381 1.726 20 5 DDBDRO C[NH+](C)[C@H]1CCCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000330632824 410841364 /nfs/dbraw/zinc/84/13/64/410841364.db2.gz IVCCKBRXZNREKO-NSHDSACASA-N 1 0 309.370 1.079 20 5 DDBDRO COc1ccc(NC(=O)CN2CC[N@H+](C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000330661461 410860493 /nfs/dbraw/zinc/86/04/93/410860493.db2.gz CJULUEGOVDQBKA-NSHDSACASA-N 1 0 322.365 1.178 20 5 DDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000344055660 410923946 /nfs/dbraw/zinc/92/39/46/410923946.db2.gz KUSVPNXLTQARLO-FDRIWYBQSA-N 1 0 319.361 1.625 20 5 DDBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)NCC[NH+]1CCC1 ZINC000337661815 410926129 /nfs/dbraw/zinc/92/61/29/410926129.db2.gz RAJTXIOEPLKYHK-UHFFFAOYSA-N 1 0 320.393 1.922 20 5 DDBDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)c3c(N)cccc3[N+](=O)[O-])C2)C1 ZINC000356294371 410950781 /nfs/dbraw/zinc/95/07/81/410950781.db2.gz SJMWREFAEPGLKD-INIZCTEOSA-N 1 0 318.377 1.735 20 5 DDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@@H](CO)C2CC2)n1 ZINC000353484092 411020955 /nfs/dbraw/zinc/02/09/55/411020955.db2.gz PXBXHKFYIJNMPN-BFHYXJOUSA-N 1 0 308.382 1.883 20 5 DDBDRO C[C@@H]1[C@@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CCS1(=O)=O ZINC000353854314 411136102 /nfs/dbraw/zinc/13/61/02/411136102.db2.gz IXQOLBAHXCJFOG-FJYXQWIHSA-N 1 0 310.375 1.773 20 5 DDBDRO COC(=O)c1cc(C(=O)NCCC[NH2+]C(C)C)cc([N+](=O)[O-])c1 ZINC000580443007 422933087 /nfs/dbraw/zinc/93/30/87/422933087.db2.gz HKYQUBDWYLPZFU-UHFFFAOYSA-N 1 0 323.349 1.499 20 5 DDBDRO CCOc1cc(C(=O)N2CC[C@@H]([NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000132285885 196242153 /nfs/dbraw/zinc/24/21/53/196242153.db2.gz NNQYVXWGOIHFDK-SECBINFHSA-N 1 0 309.322 1.175 20 5 DDBDRO Cc1ccc(NCCCNC(=O)NCCCC[NH3+])c([N+](=O)[O-])c1 ZINC000417721012 225410630 /nfs/dbraw/zinc/41/06/30/225410630.db2.gz SPUHHRWSSDIERC-UHFFFAOYSA-N 1 0 323.397 1.743 20 5 DDBDRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000419322453 226113813 /nfs/dbraw/zinc/11/38/13/226113813.db2.gz HKDGQTWFYUWDMQ-KBPBESRZSA-N 1 0 323.393 1.361 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1CN1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000420386794 226480714 /nfs/dbraw/zinc/48/07/14/226480714.db2.gz IUMNTXIXDUTGSB-WCQYABFASA-N 1 0 319.340 1.394 20 5 DDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000373933609 418474565 /nfs/dbraw/zinc/47/45/65/418474565.db2.gz MPPRPDAPADBXQF-HUUCEWRRSA-N 1 0 303.362 1.386 20 5 DDBDRO CC[NH+](CC)C[C@@H]1CCN(c2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000290810050 221939682 /nfs/dbraw/zinc/93/96/82/221939682.db2.gz RAORKZWBHADDIA-NSHDSACASA-N 1 0 321.381 1.257 20 5 DDBDRO Nc1ccc([N+](=O)[O-])c(N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c1 ZINC000367164319 418567382 /nfs/dbraw/zinc/56/73/82/418567382.db2.gz HSRWXJGJWICYJI-UKRRQHHQSA-N 1 0 306.366 1.212 20 5 DDBDRO C[NH+]1CCC(N2CC[C@@H](Nc3ncccc3[N+](=O)[O-])C2)CC1 ZINC000361029340 418569246 /nfs/dbraw/zinc/56/92/46/418569246.db2.gz AOUGICQIIVVVPA-GFCCVEGCSA-N 1 0 305.382 1.570 20 5 DDBDRO C[C@H]1c2ccccc2C[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000361044807 418572093 /nfs/dbraw/zinc/57/20/93/418572093.db2.gz JPOHSSPNVXSZEB-SMDDNHRTSA-N 1 0 302.334 1.729 20 5 DDBDRO C[C@@H]([NH3+])CNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000194891789 418550299 /nfs/dbraw/zinc/55/02/99/418550299.db2.gz NUUYOBZZOJUTJE-ZCFIWIBFSA-N 1 0 302.128 1.434 20 5 DDBDRO CC(C)C[N@@H+]1CCCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000367146275 418563830 /nfs/dbraw/zinc/56/38/30/418563830.db2.gz ATIJBDIQDRTQCJ-UHFFFAOYSA-N 1 0 322.409 1.420 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)n1 ZINC000191633139 222106407 /nfs/dbraw/zinc/10/64/07/222106407.db2.gz TWCQAYSQYPHLMQ-MNOVXSKESA-N 1 0 309.370 1.366 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)CN(CC[N@@H+]1CCCOCC1)CC2 ZINC000361313272 418623986 /nfs/dbraw/zinc/62/39/86/418623986.db2.gz IICJEUFLZJOTKW-UHFFFAOYSA-N 1 0 305.378 1.675 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+](CC2CC2)CC2CCC2)c1 ZINC000361557811 418677765 /nfs/dbraw/zinc/67/77/65/418677765.db2.gz STQVQNFRGDYRLD-HNNXBMFYSA-N 1 0 308.382 1.664 20 5 DDBDRO O=[N+]([O-])c1cnc(C(F)(F)F)cc1NC[C@H]1C[NH2+]CCCO1 ZINC000389788367 418749969 /nfs/dbraw/zinc/74/99/69/418749969.db2.gz GZKLFJOAEIWJRA-MRVPVSSYSA-N 1 0 320.271 1.799 20 5 DDBDRO CC[N@H+](CCNC(=O)c1ccc(NC)c([N+](=O)[O-])c1)C1CC1 ZINC000389805275 418751408 /nfs/dbraw/zinc/75/14/08/418751408.db2.gz LECDEPQVKUTNJB-UHFFFAOYSA-N 1 0 306.366 1.851 20 5 DDBDRO C[C@H]1CC[NH2+][C@H](C(=O)NCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000422939800 227271174 /nfs/dbraw/zinc/27/11/74/227271174.db2.gz RVDKKUXTYYBYPX-FZMZJTMJSA-N 1 0 306.366 1.511 20 5 DDBDRO O=[N+]([O-])c1ccn(C2CC[NH+](CCOCC(F)F)CC2)n1 ZINC000365516472 418869936 /nfs/dbraw/zinc/86/99/36/418869936.db2.gz RNDNJDIUURCSBK-UHFFFAOYSA-N 1 0 304.297 1.710 20 5 DDBDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])CC1 ZINC000372125447 418838435 /nfs/dbraw/zinc/83/84/35/418838435.db2.gz KBCVMYVNGCFKNW-DFBGVHRSSA-N 1 0 318.377 1.388 20 5 DDBDRO C[NH+]1CCC(Oc2ccc(NC(=O)[C@H]3CC3[N+](=O)[O-])cn2)CC1 ZINC000372212497 418845760 /nfs/dbraw/zinc/84/57/60/418845760.db2.gz ZREJWWHQHYLMBE-STQMWFEESA-N 1 0 320.349 1.158 20 5 DDBDRO NC(=O)c1ccc(N2CCC[N@@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000372945098 418915235 /nfs/dbraw/zinc/91/52/35/418915235.db2.gz CXYOELFSFUQRHN-GFCCVEGCSA-N 1 0 304.350 1.368 20 5 DDBDRO Cc1nn(CCC(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)c(C)c1[N+](=O)[O-] ZINC000424022124 228220525 /nfs/dbraw/zinc/22/05/25/228220525.db2.gz UPUABHIXRGRHTM-GXFFZTMASA-N 1 0 323.397 1.242 20 5 DDBDRO Cc1ccc([C@@H](C)NC(=O)N2CC[NH2+][C@H](C)C2)cc1[N+](=O)[O-] ZINC000417859248 419357420 /nfs/dbraw/zinc/35/74/20/419357420.db2.gz VWZLUAYZPUEGOR-VXGBXAGGSA-N 1 0 306.366 1.968 20 5 DDBDRO C[NH2+]C[C@@H]1CCCN1C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000417929367 419394194 /nfs/dbraw/zinc/39/41/94/419394194.db2.gz AAPTZDYPYOCBLI-AWEZNQCLSA-N 1 0 306.366 1.531 20 5 DDBDRO CC1(C)[C@@H](O)CC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411745434 419396202 /nfs/dbraw/zinc/39/62/02/419396202.db2.gz MFXWUPZIRWMTAL-ZDUSSCGKSA-N 1 0 307.350 1.769 20 5 DDBDRO C[C@@H]1[C@@H](CO)CC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411656133 419372642 /nfs/dbraw/zinc/37/26/42/419372642.db2.gz PJPSQIHSGCPQHB-VXGBXAGGSA-N 1 0 307.350 1.626 20 5 DDBDRO CN(C)C(=O)C1([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000411917630 419482429 /nfs/dbraw/zinc/48/24/29/419482429.db2.gz YZSMOJWCCYABLP-UHFFFAOYSA-N 1 0 320.349 1.134 20 5 DDBDRO Cc1c(CNC(=O)N2CCCO[C@@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000418085674 419519813 /nfs/dbraw/zinc/51/98/13/419519813.db2.gz YJUCRKZVRJATRS-ZDUSSCGKSA-N 1 0 322.365 1.162 20 5 DDBDRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000418085716 419521665 /nfs/dbraw/zinc/52/16/65/419521665.db2.gz WDXNDWJQGNUMEP-WPRPVWTQSA-N 1 0 318.337 1.102 20 5 DDBDRO O=C(N[C@@H]1CC[NH2+]C1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000418382775 419761143 /nfs/dbraw/zinc/76/11/43/419761143.db2.gz MXHTZBILIDHWLP-GFCCVEGCSA-N 1 0 304.350 1.631 20 5 DDBDRO C[C@H](CNC(=O)CCn1cc([N+](=O)[O-])cn1)[N@@H+]1CCC[C@H](C)C1 ZINC000299262766 229014265 /nfs/dbraw/zinc/01/42/65/229014265.db2.gz HDUTYEPVCRTIJZ-QWHCGFSZSA-N 1 0 323.397 1.418 20 5 DDBDRO C[C@]12CC[N@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C[C@H]1C2(F)F ZINC000428711734 419919309 /nfs/dbraw/zinc/91/93/09/419919309.db2.gz LWUXKMKWCJRREG-UTUOFQBUSA-N 1 0 316.308 1.129 20 5 DDBDRO CN(Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C[C@H](O)C[NH3+] ZINC000415055065 419925015 /nfs/dbraw/zinc/92/50/15/419925015.db2.gz MFXYOYPRZDCNKE-LLVKDONJSA-N 1 0 305.334 1.606 20 5 DDBDRO C[C@H]1CC[C@@H]([N@H+](CCO)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000429794233 420049055 /nfs/dbraw/zinc/04/90/55/420049055.db2.gz WTQKGLWUFBGJIV-SMDDNHRTSA-N 1 0 321.377 1.677 20 5 DDBDRO Cc1cc(NC(=O)NCCNc2cc[nH+]cc2)ccc1[N+](=O)[O-] ZINC000429974500 420064993 /nfs/dbraw/zinc/06/49/93/420064993.db2.gz YFUVPDXYNPDIQQ-UHFFFAOYSA-N 1 0 315.333 1.954 20 5 DDBDRO CCC[NH2+]CCNC(=O)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000415522944 420100034 /nfs/dbraw/zinc/10/00/34/420100034.db2.gz XOUSCYLSWZCBMO-UHFFFAOYSA-N 1 0 322.365 1.266 20 5 DDBDRO COc1cccc(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)c1[N+](=O)[O-] ZINC000423694727 420129170 /nfs/dbraw/zinc/12/91/70/420129170.db2.gz HZODNWXJAPAZSP-SNVBAGLBSA-N 1 0 315.276 1.330 20 5 DDBDRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000415489836 420087364 /nfs/dbraw/zinc/08/73/64/420087364.db2.gz BPKFRSKMPRRETK-NSHDSACASA-N 1 0 322.365 1.475 20 5 DDBDRO COc1cc(C(=O)N[C@H]2CC[NH2+]C[C@H]2C)cc([N+](=O)[O-])c1C ZINC000423588576 420090093 /nfs/dbraw/zinc/09/00/93/420090093.db2.gz GHXJXSKAPPVHNR-SKDRFNHKSA-N 1 0 307.350 1.640 20 5 DDBDRO C[NH2+][C@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000415503506 420093260 /nfs/dbraw/zinc/09/32/60/420093260.db2.gz OKALCEBVWVRRMK-JTQLQIEISA-N 1 0 308.338 1.819 20 5 DDBDRO COc1ccc(NC(=O)CCN(C)[C@H](C)C[NH3+])c([N+](=O)[O-])c1 ZINC000420293665 420187080 /nfs/dbraw/zinc/18/70/80/420187080.db2.gz ROGZOCVIYXAGRO-SNVBAGLBSA-N 1 0 310.354 1.211 20 5 DDBDRO O=C(C[C@H]1CSCC[NH2+]1)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000423729707 420146794 /nfs/dbraw/zinc/14/67/94/420146794.db2.gz VEILOLQRVGAHBK-QMMMGPOBSA-N 1 0 321.362 1.505 20 5 DDBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000430953685 420221411 /nfs/dbraw/zinc/22/14/11/420221411.db2.gz HVUHSKYHYPFFAG-GRYCIOLGSA-N 1 0 306.366 1.604 20 5 DDBDRO C[NH2+]C[C@H]1CCN(CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000430953964 420221605 /nfs/dbraw/zinc/22/16/05/420221605.db2.gz VHRWCURLHYHKCY-LLVKDONJSA-N 1 0 322.365 1.083 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420377080 420248484 /nfs/dbraw/zinc/24/84/84/420248484.db2.gz KPRMGLODOSQQII-DGCLKSJQSA-N 1 0 320.393 1.758 20 5 DDBDRO C[C@H]1CN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C[NH2+]1 ZINC000420382854 420252106 /nfs/dbraw/zinc/25/21/06/420252106.db2.gz DIRKWWRCZYYHCG-RYUDHWBXSA-N 1 0 306.366 1.240 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCC[NH2+]CC2)c1 ZINC000420399961 420263886 /nfs/dbraw/zinc/26/38/86/420263886.db2.gz CVOLKMCSEMJOPG-UHFFFAOYSA-N 1 0 313.379 1.196 20 5 DDBDRO O=C(COc1cccc([N+](=O)[O-])c1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000435228651 420264039 /nfs/dbraw/zinc/26/40/39/420264039.db2.gz BRFNVLNTKXOLDI-ZDUSSCGKSA-N 1 0 305.334 1.327 20 5 DDBDRO C[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)[C@H](C[NH3+])C1 ZINC000420417966 420273061 /nfs/dbraw/zinc/27/30/61/420273061.db2.gz FSQSDEZWBAPADB-IUCAKERBSA-N 1 0 319.408 1.404 20 5 DDBDRO O=C(NC1CCC(N2CC[NH2+]CC2)CC1)c1ccc([N+](=O)[O-])o1 ZINC000423943198 420277961 /nfs/dbraw/zinc/27/79/61/420277961.db2.gz CAYNHFAAAYHUDT-UHFFFAOYSA-N 1 0 322.365 1.134 20 5 DDBDRO C[NH+](C)C1(CNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000416292988 420309583 /nfs/dbraw/zinc/30/95/83/420309583.db2.gz TYZPROXDCFISJM-UHFFFAOYSA-N 1 0 320.393 1.997 20 5 DDBDRO COc1cc(C(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)cc([N+](=O)[O-])c1C ZINC000424003500 420302281 /nfs/dbraw/zinc/30/22/81/420302281.db2.gz RGTHCTQTSQDOEP-GXFFZTMASA-N 1 0 321.377 1.969 20 5 DDBDRO C[NH+](C)[C@@H]1CCC[C@H](Nc2ccc3ncc([N+](=O)[O-])n3n2)C1 ZINC000301974696 230014971 /nfs/dbraw/zinc/01/49/71/230014971.db2.gz VNFJTEXNKUIQPA-WDEREUQCSA-N 1 0 304.354 1.922 20 5 DDBDRO COCc1cc([N+](=O)[O-])ccc1N1CC[N@H+](CCO)[C@H](C)C1 ZINC000302368098 230224498 /nfs/dbraw/zinc/22/44/98/230224498.db2.gz DSIOHCGWYDUATR-GFCCVEGCSA-N 1 0 309.366 1.244 20 5 DDBDRO C[NH2+]C[C@H]1CCCN1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000417757576 420470284 /nfs/dbraw/zinc/47/02/84/420470284.db2.gz BFLSFGKSYXFQOD-CYBMUJFWSA-N 1 0 306.366 1.531 20 5 DDBDRO Cc1ccc(NCCCNC(=O)N[C@@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000417708813 420456982 /nfs/dbraw/zinc/45/69/82/420456982.db2.gz AIWNFYYMDIQAEO-GFCCVEGCSA-N 1 0 321.381 1.366 20 5 DDBDRO C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000439358395 420508593 /nfs/dbraw/zinc/50/85/93/420508593.db2.gz XXWWRZQHSXMRGG-LLVKDONJSA-N 1 0 320.349 1.086 20 5 DDBDRO C[C@@H]([NH2+]CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)[C@H](C)CO ZINC000450739306 420519063 /nfs/dbraw/zinc/51/90/63/420519063.db2.gz QCAWYICBSMSIDI-GHMZBOCLSA-N 1 0 323.349 1.499 20 5 DDBDRO C[C@H](CO)[C@H](C)[NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000450738285 420519333 /nfs/dbraw/zinc/51/93/33/420519333.db2.gz MKWWMXXCGDUSOO-UHIISALHSA-N 1 0 307.350 1.307 20 5 DDBDRO CCC(CC)(C[NH3+])NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000440431002 420575581 /nfs/dbraw/zinc/57/55/81/420575581.db2.gz GOFMRZFJKVNASA-UHFFFAOYSA-N 1 0 307.397 1.452 20 5 DDBDRO C[C@@H]1C[C@@H](O)C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000452068433 420620396 /nfs/dbraw/zinc/62/03/96/420620396.db2.gz NYJKOKVLTPWQKH-VXGBXAGGSA-N 1 0 307.350 1.626 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)n1 ZINC000444830511 420760354 /nfs/dbraw/zinc/76/03/54/420760354.db2.gz WNTPDWJZGCATNH-CHWSQXEVSA-N 1 0 308.382 1.498 20 5 DDBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@H](CO)[C@@H]3CCCO3)nc2c1 ZINC000447913607 420816644 /nfs/dbraw/zinc/81/66/44/420816644.db2.gz MXEUZICKIPGJQL-OLZOCXBDSA-N 1 0 306.322 1.101 20 5 DDBDRO CC[C@@H]1OCC[C@H]1[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000459772884 420868667 /nfs/dbraw/zinc/86/86/67/420868667.db2.gz JYDMFZNWVLUHKE-BZPMIXESSA-N 1 0 310.350 1.492 20 5 DDBDRO CNc1nc(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000455657474 421049353 /nfs/dbraw/zinc/04/93/53/421049353.db2.gz MFEZJUZEXLUVAZ-QWRGUYRKSA-N 1 0 319.365 1.340 20 5 DDBDRO CNC(=O)c1ccc(N2CC[N@H+](C)[C@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000487071804 421002178 /nfs/dbraw/zinc/00/21/78/421002178.db2.gz BPLWRDVXBHNDMZ-HNNXBMFYSA-N 1 0 320.393 1.731 20 5 DDBDRO C[C@@H](CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)[NH+](C)C ZINC000455439503 421015823 /nfs/dbraw/zinc/01/58/23/421015823.db2.gz ZTSSUTNJFGBVCD-NSHDSACASA-N 1 0 306.366 1.613 20 5 DDBDRO CO[C@@H]1C[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1OC ZINC000488097403 421070732 /nfs/dbraw/zinc/07/07/32/421070732.db2.gz UHGOGQASTJXRFN-ZIAGYGMSSA-N 1 0 323.349 1.269 20 5 DDBDRO C[C@@H]1CC[N@H+](C)CCN1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000524590596 421262890 /nfs/dbraw/zinc/26/28/90/421262890.db2.gz MERNYVKTGRQZOY-GFCCVEGCSA-N 1 0 306.366 1.830 20 5 DDBDRO C[C@@H]1C[C@H](NC(=O)NCc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000524783284 421272828 /nfs/dbraw/zinc/27/28/28/421272828.db2.gz FTGMFNKPELCJOC-DGCLKSJQSA-N 1 0 306.366 1.877 20 5 DDBDRO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000562557239 421381268 /nfs/dbraw/zinc/38/12/68/421381268.db2.gz KWQRCXLMRDQRBM-NSHDSACASA-N 1 0 309.370 1.558 20 5 DDBDRO C[C@@H](CCNC(=O)c1ccnc(N)c1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000516783249 421568266 /nfs/dbraw/zinc/56/82/66/421568266.db2.gz CJGKTTMFBRMBDK-NSHDSACASA-N 1 0 321.381 1.566 20 5 DDBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])cn1C)[N@@H+]1CCC[C@@H](C)C1 ZINC000518772206 421667402 /nfs/dbraw/zinc/66/74/02/421667402.db2.gz ZYNLXLMVKZXSSG-VXGBXAGGSA-N 1 0 308.382 1.784 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@@]3(C2)CCC[NH2+]C3)n1 ZINC000519533046 421696761 /nfs/dbraw/zinc/69/67/61/421696761.db2.gz MNWCKSKPQSMVTF-HNNXBMFYSA-N 1 0 320.349 1.356 20 5 DDBDRO COc1ccc(CC(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1[N+](=O)[O-] ZINC000571499079 421719452 /nfs/dbraw/zinc/71/94/52/421719452.db2.gz YZKKNRBNVDSAFZ-OLZOCXBDSA-N 1 0 319.361 1.214 20 5 DDBDRO CC(C)(C)[N@@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC1 ZINC000520164644 421738482 /nfs/dbraw/zinc/73/84/82/421738482.db2.gz YXZLVSKWTMVQGJ-UHFFFAOYSA-N 1 0 322.365 1.642 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)n1 ZINC000520404798 421749593 /nfs/dbraw/zinc/74/95/93/421749593.db2.gz SSWBCJLUZUGLTA-XYPYZODXSA-N 1 0 309.370 1.306 20 5 DDBDRO COc1ccccc1[C@@H](CO)[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000542911234 421832718 /nfs/dbraw/zinc/83/27/18/421832718.db2.gz YNDFGXBGYHTUAE-GFCCVEGCSA-N 1 0 306.322 1.123 20 5 DDBDRO C[N@@H+]1CCC[C@@H]1C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000572760743 421857149 /nfs/dbraw/zinc/85/71/49/421857149.db2.gz YIIPZJHKEQOMKG-OAHLLOKOSA-N 1 0 316.361 1.829 20 5 DDBDRO CC[C@@H](CCO)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000573120039 421924796 /nfs/dbraw/zinc/92/47/96/421924796.db2.gz CJJVTILTOWQBRX-NSHDSACASA-N 1 0 316.379 1.119 20 5 DDBDRO Cc1c(NC(=O)c2ccn(CC[NH+](C)C)n2)cccc1[N+](=O)[O-] ZINC000583508720 422175081 /nfs/dbraw/zinc/17/50/81/422175081.db2.gz RNLBMZRFCYNRNC-UHFFFAOYSA-N 1 0 317.349 1.914 20 5 DDBDRO C[C@@H](O)C[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])[C@@H](C)CO ZINC000276184962 274266772 /nfs/dbraw/zinc/26/67/72/274266772.db2.gz KUUOSNRVLYCABC-VHSXEESVSA-N 1 0 302.758 1.812 20 5 DDBDRO C[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C[C@@H]1CCOC1 ZINC000181957023 263371585 /nfs/dbraw/zinc/37/15/85/263371585.db2.gz VLNAJDIMKOYKAO-STQMWFEESA-N 1 0 310.350 1.303 20 5 DDBDRO [NH3+]CC1(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000238004612 263594613 /nfs/dbraw/zinc/59/46/13/263594613.db2.gz STVSWHDTFJDQMD-UHFFFAOYSA-N 1 0 306.366 1.642 20 5 DDBDRO COC(=O)CN(C)C(=O)CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000341590217 271131067 /nfs/dbraw/zinc/13/10/67/271131067.db2.gz UUAVADFLCQHBQT-LLVKDONJSA-N 1 0 323.349 1.267 20 5 DDBDRO CN(C)C(=O)CC[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000344443904 272028851 /nfs/dbraw/zinc/02/88/51/272028851.db2.gz NWDCRZNNPXKBJO-UHFFFAOYSA-N 1 0 320.393 1.949 20 5 DDBDRO Cn1nc([N+](=O)[O-])cc1C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000344650266 272079650 /nfs/dbraw/zinc/07/96/50/272079650.db2.gz WSCPQTMEOUJZFR-LLVKDONJSA-N 1 0 309.370 1.179 20 5 DDBDRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000423587182 274377933 /nfs/dbraw/zinc/37/79/33/274377933.db2.gz DTKPCHGAJFTUPG-ZWNOBZJWSA-N 1 0 314.345 1.871 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCS(=O)(=O)C1)CCC2 ZINC000278354967 275038188 /nfs/dbraw/zinc/03/81/88/275038188.db2.gz ZRIGKXQSKBSKEY-IAQYHMDHSA-N 1 0 324.402 1.997 20 5 DDBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC1(N(C)C)CC1 ZINC000417350816 533689873 /nfs/dbraw/zinc/68/98/73/533689873.db2.gz AIFALQDRAQKMQT-GFCCVEGCSA-N 1 0 320.393 1.996 20 5 DDBDRO CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000178679175 276261070 /nfs/dbraw/zinc/26/10/70/276261070.db2.gz UFZIJWHKQHTRHZ-GHMZBOCLSA-N 1 0 322.365 1.788 20 5 DDBDRO C[N@@H+]1CCC[C@@H](N2CCN(c3cccc(F)c3[N+](=O)[O-])CC2)C1 ZINC000301285353 277053735 /nfs/dbraw/zinc/05/37/35/277053735.db2.gz LNMLZXQKTZWBOO-CYBMUJFWSA-N 1 0 322.384 1.950 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N(C)C2CC([NH3+])C2)c1 ZINC000420464152 278743914 /nfs/dbraw/zinc/74/39/14/278743914.db2.gz JRYULMJPAZNCJT-UHFFFAOYSA-N 1 0 313.379 1.322 20 5 DDBDRO C[C@@H]1C[NH2+]CCN1c1ncc([N+](=O)[O-])cc1Br ZINC000261538113 278838877 /nfs/dbraw/zinc/83/88/77/278838877.db2.gz DBSNYPDHDQIUOO-SSDOTTSWSA-N 1 0 301.144 1.550 20 5 DDBDRO C[NH+](C)[C@@H](CNC(=O)CCNc1ccccc1[N+](=O)[O-])C1CC1 ZINC000125973733 281222078 /nfs/dbraw/zinc/22/20/78/281222078.db2.gz VXSIAOFLHTYMLD-HNNXBMFYSA-N 1 0 320.393 1.853 20 5 DDBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1c1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420635549 297411943 /nfs/dbraw/zinc/41/19/43/297411943.db2.gz ZLDIJIYXCHTNNG-NEPJUHHUSA-N 1 0 318.377 1.757 20 5 DDBDRO C[C@@H](C[NH+]1CCCCCC1)NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000356464244 298798696 /nfs/dbraw/zinc/79/86/96/298798696.db2.gz JENDMFUTWVNUOZ-LBPRGKRZSA-N 1 0 308.382 1.928 20 5 DDBDRO O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC2(C1)CC[NH2+]CC2 ZINC000362273588 300041208 /nfs/dbraw/zinc/04/12/08/300041208.db2.gz BDJFLNAUSXWHQZ-UHFFFAOYSA-N 1 0 307.325 1.950 20 5 DDBDRO C[NH+](C)C(C)(C)CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000362462529 300070047 /nfs/dbraw/zinc/07/00/47/300070047.db2.gz CHHQNRZHFPCJQM-UHFFFAOYSA-N 1 0 315.320 1.872 20 5 DDBDRO COCCO[C@@H]1COCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000362506480 300080965 /nfs/dbraw/zinc/08/09/65/300080965.db2.gz AYGQQSIMSPFXIA-HZPDHXFCSA-N 1 0 324.377 1.813 20 5 DDBDRO COCCO[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000362506481 300081066 /nfs/dbraw/zinc/08/10/66/300081066.db2.gz AYGQQSIMSPFXIA-JKSUJKDBSA-N 1 0 324.377 1.813 20 5 DDBDRO COC(=O)c1cc(NC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000362804441 300145117 /nfs/dbraw/zinc/14/51/17/300145117.db2.gz FLZNSQKZLGNWCZ-TVQRCGJNSA-N 1 0 321.333 1.518 20 5 DDBDRO CC[N@@H+]1CCCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000363395151 300261862 /nfs/dbraw/zinc/26/18/62/300261862.db2.gz HUFOSTVISIAWJY-UHFFFAOYSA-N 1 0 317.349 1.639 20 5 DDBDRO O=C(CNc1ccccc1[N+](=O)[O-])N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000364082711 300341920 /nfs/dbraw/zinc/34/19/20/300341920.db2.gz JVISESNRMSOMRT-OLZOCXBDSA-N 1 0 318.377 1.750 20 5 DDBDRO C[C@@H]([NH3+])c1ccc(CNC(=O)c2c([N+](=O)[O-])cnn2C)cc1 ZINC000574569388 304663613 /nfs/dbraw/zinc/66/36/13/304663613.db2.gz QUTSTHHMMOPKSC-SECBINFHSA-N 1 0 303.322 1.278 20 5 DDBDRO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000574677074 304673964 /nfs/dbraw/zinc/67/39/64/304673964.db2.gz XXQXDCIZCZYUSP-ZDUSSCGKSA-N 1 0 323.393 1.726 20 5 DDBDRO Cc1cc(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])c(=O)[nH]1 ZINC000367399492 300842859 /nfs/dbraw/zinc/84/28/59/300842859.db2.gz PGLVCVIRGLYACH-NSHDSACASA-N 1 0 320.349 1.314 20 5 DDBDRO COc1cc(N2CCC[N@H+](CC(C)(C)O)CC2)ccc1[N+](=O)[O-] ZINC000368722233 301081262 /nfs/dbraw/zinc/08/12/62/301081262.db2.gz NZTULLULPGOPOZ-UHFFFAOYSA-N 1 0 323.393 1.886 20 5 DDBDRO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC[NH+](Cc2ccncc2)CC1 ZINC000368818581 301092479 /nfs/dbraw/zinc/09/24/79/301092479.db2.gz UIKMNBHQDOIQGO-HUUCEWRRSA-N 1 0 318.377 1.170 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000369347285 301169012 /nfs/dbraw/zinc/16/90/12/301169012.db2.gz WPZLJKZNBUIRLY-FZMZJTMJSA-N 1 0 318.377 1.485 20 5 DDBDRO C[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000370215045 301296060 /nfs/dbraw/zinc/29/60/60/301296060.db2.gz JIUGHIHINDJBTI-DTZQCDIJSA-N 1 0 317.389 1.821 20 5 DDBDRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(F)cc1[N+](=O)[O-] ZINC000370465579 301344520 /nfs/dbraw/zinc/34/45/20/301344520.db2.gz TWVADDFRNRVSHC-NEPJUHHUSA-N 1 0 323.324 1.327 20 5 DDBDRO CCCc1nc(C)c(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)o1 ZINC000575917130 304741297 /nfs/dbraw/zinc/74/12/97/304741297.db2.gz KFFJSPQCHZFIAF-GFCCVEGCSA-N 1 0 323.353 1.191 20 5 DDBDRO Cc1ccc(C)c(S(=O)(=O)N[C@H](C)[C@H](C)[NH3+])c1[N+](=O)[O-] ZINC000420435419 301557106 /nfs/dbraw/zinc/55/71/06/301557106.db2.gz GSRNSLLHCNDJBK-VHSXEESVSA-N 1 0 301.368 1.226 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@@H]2CCc3ccccc3OC2)n1 ZINC000374617650 301826231 /nfs/dbraw/zinc/82/62/31/301826231.db2.gz CWAIVPNDTKLXAU-CYBMUJFWSA-N 1 0 302.334 1.775 20 5 DDBDRO Cc1ccc(S(=O)(=O)NC(C)(C)CC[NH3+])cc1[N+](=O)[O-] ZINC000397166692 302352441 /nfs/dbraw/zinc/35/24/41/302352441.db2.gz BXHCOOPCTSDOMK-UHFFFAOYSA-N 1 0 301.368 1.309 20 5 DDBDRO C[C@H]1C[C@H](CO)C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000398742306 302361790 /nfs/dbraw/zinc/36/17/90/302361790.db2.gz WSYVZWMTDHNUPR-QWRGUYRKSA-N 1 0 307.350 1.144 20 5 DDBDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cc([N+](=O)[O-])nn1C ZINC000356145985 306838557 /nfs/dbraw/zinc/83/85/57/306838557.db2.gz GVBMEKZTXNYLLS-LLVKDONJSA-N 1 0 311.386 1.569 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCCC[C@@H]1C[NH+](C)C ZINC000519142353 302834511 /nfs/dbraw/zinc/83/45/11/302834511.db2.gz IRXQOVMSRDDWBL-CYBMUJFWSA-N 1 0 323.397 1.433 20 5 DDBDRO C[NH2+]C[C@@H](C)CNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000357059781 306868680 /nfs/dbraw/zinc/86/86/80/306868680.db2.gz ATORZZJJEJQTOZ-LLVKDONJSA-N 1 0 317.349 1.366 20 5 DDBDRO CS[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cn2C)C[C@H]1[NH+](C)C ZINC000537924108 303381489 /nfs/dbraw/zinc/38/14/89/303381489.db2.gz OXSAQPAMUYJVCA-NEPJUHHUSA-N 1 0 312.395 1.051 20 5 DDBDRO COC[C@@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)C(C)C ZINC000542524883 303441435 /nfs/dbraw/zinc/44/14/35/303441435.db2.gz DQOWAOZUNVUYJM-LSDHHAIUSA-N 1 0 321.377 1.961 20 5 DDBDRO COc1ccc(CC(=O)NCCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000551159714 303630023 /nfs/dbraw/zinc/63/00/23/303630023.db2.gz APLBQNZOZNTKJF-UHFFFAOYSA-N 1 0 309.366 1.604 20 5 DDBDRO COc1cccc(C(=O)N[C@H](CC[NH3+])C(F)(F)F)c1[N+](=O)[O-] ZINC000562980709 303905202 /nfs/dbraw/zinc/90/52/02/303905202.db2.gz IUIMMLHLGPPJBI-SECBINFHSA-N 1 0 321.255 1.613 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)N(CC[N@H+]1C[C@H]3CC[C@@H](C1)O3)CC2 ZINC000364640286 307049049 /nfs/dbraw/zinc/04/90/49/307049049.db2.gz GUWOKQXTUSYDKQ-GASCZTMLSA-N 1 0 303.362 1.821 20 5 DDBDRO CN(C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)[C@@H]1CCC[NH2+]CC1 ZINC000364643462 307049379 /nfs/dbraw/zinc/04/93/79/307049379.db2.gz VWMWPULNOURMIP-SNVBAGLBSA-N 1 0 317.349 1.685 20 5 DDBDRO Nc1c(C(=O)N2CCC[C@@H]3C[NH2+]CCC[C@H]32)cccc1[N+](=O)[O-] ZINC000366443142 307074040 /nfs/dbraw/zinc/07/40/40/307074040.db2.gz FSIBWJZPBNTXEP-DGCLKSJQSA-N 1 0 318.377 1.781 20 5 DDBDRO CCCc1n[nH]c(C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1[N+](=O)[O-] ZINC000368615217 307106473 /nfs/dbraw/zinc/10/64/73/307106473.db2.gz UBACVBSOXWMGML-DCAQKATOSA-N 1 0 321.381 1.470 20 5 DDBDRO Cc1nc(N2CCC[N@H+](CC(C)(C)O)CC2)ccc1[N+](=O)[O-] ZINC000368724224 307108752 /nfs/dbraw/zinc/10/87/52/307108752.db2.gz ZBSFHLWUFLBOLE-UHFFFAOYSA-N 1 0 308.382 1.581 20 5 DDBDRO Cn1ccnc1[C@@H]1CCCN1C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000371463319 307150265 /nfs/dbraw/zinc/15/02/65/307150265.db2.gz IIIMZPKNVGMGSI-LBPRGKRZSA-N 1 0 318.337 1.279 20 5 DDBDRO O=C(Cn1ccc([N+](=O)[O-])n1)Nc1cccc2c1C[NH2+]CC2 ZINC000375956124 307235754 /nfs/dbraw/zinc/23/57/54/307235754.db2.gz AIJUMNKPLWAKED-UHFFFAOYSA-N 1 0 301.306 1.076 20 5 DDBDRO O=C1OCC[C@@H]2CCN(C[C@@H](O)c3cccc([N+](=O)[O-])c3)[C@@H]12 ZINC000376333329 307242833 /nfs/dbraw/zinc/24/28/33/307242833.db2.gz NHKBPPSQHGHKHU-ZLKJLUDKSA-N 1 0 306.318 1.266 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC000376643033 307251224 /nfs/dbraw/zinc/25/12/24/307251224.db2.gz MSTRXQXZQSUFFX-RISCZKNCSA-N 1 0 304.350 1.464 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000378490000 307289459 /nfs/dbraw/zinc/28/94/59/307289459.db2.gz CEJKPQKVTXHWNH-RISCZKNCSA-N 1 0 304.350 1.464 20 5 DDBDRO [NH3+]C[C@H]1c2ccccc2CCN1CCn1ccc([N+](=O)[O-])n1 ZINC000516570820 307417855 /nfs/dbraw/zinc/41/78/55/307417855.db2.gz GYNGZDMNNRHVAI-AWEZNQCLSA-N 1 0 301.350 1.349 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000517235221 307431112 /nfs/dbraw/zinc/43/11/12/307431112.db2.gz HNVQKBCHJULXLE-LBPRGKRZSA-N 1 0 317.349 1.538 20 5 DDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H]2CC[C@@H](F)C2)cc1 ZINC000566131423 308045827 /nfs/dbraw/zinc/04/58/27/308045827.db2.gz ZBFXMEYRPUUXND-GHMZBOCLSA-N 1 0 316.354 1.849 20 5 DDBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000566795035 308063724 /nfs/dbraw/zinc/06/37/24/308063724.db2.gz IWNPKSOECWDOJY-BDAKNGLRSA-N 1 0 320.353 1.396 20 5 DDBDRO CNc1ccc(C(=O)N2CCC(CC[NH3+])CC2)cc1[N+](=O)[O-] ZINC000567745394 308093739 /nfs/dbraw/zinc/09/37/39/308093739.db2.gz OBHFIIMPNAQQCO-UHFFFAOYSA-N 1 0 306.366 1.838 20 5 DDBDRO COc1cccc([N+](=O)[O-])c1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000567961712 308103181 /nfs/dbraw/zinc/10/31/81/308103181.db2.gz LHPQARKEHQEILE-ZDUSSCGKSA-N 1 0 321.377 1.762 20 5 DDBDRO [NH3+]C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)CC12CCOCC2 ZINC000577279323 308376417 /nfs/dbraw/zinc/37/64/17/308376417.db2.gz KWQADFYJOIWUPW-CYBMUJFWSA-N 1 0 319.361 1.422 20 5 DDBDRO C[C@H]([NH2+][C@@H]1C[C@@H](O)C1(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000577290582 308377809 /nfs/dbraw/zinc/37/78/09/308377809.db2.gz RGSMDQRISPAAAB-ZWKOPEQDSA-N 1 0 307.350 1.671 20 5 DDBDRO COCCC[N@H+](C)CCNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000577437248 308387817 /nfs/dbraw/zinc/38/78/17/308387817.db2.gz NILBGSTYDIHPSV-ZDUSSCGKSA-N 1 0 323.393 1.783 20 5 DDBDRO CC[NH2+]CCCNC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000580540181 308611587 /nfs/dbraw/zinc/61/15/87/308611587.db2.gz OHSWJRWMBUMMOJ-UHFFFAOYSA-N 1 0 322.365 1.498 20 5 DDBDRO CC1(C)CN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CC[NH2+]1 ZINC000581122423 308655164 /nfs/dbraw/zinc/65/51/64/308655164.db2.gz LMJVDKMEZDCHFB-UHFFFAOYSA-N 1 0 303.322 1.432 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCc2cccc(F)c2)c1 ZINC000386961039 325763533 /nfs/dbraw/zinc/76/35/33/325763533.db2.gz WBCZUKCTCOBFKD-AWEZNQCLSA-N 1 0 308.313 1.124 20 5 DDBDRO CCCN(C(=O)c1ccc(NC)c([N+](=O)[O-])c1)[C@@H]1CC[NH2+]C1 ZINC000581368386 325839771 /nfs/dbraw/zinc/83/97/71/325839771.db2.gz DXQFRLCXVYPLCG-GFCCVEGCSA-N 1 0 306.366 1.851 20 5 DDBDRO C[NH+](C)C[C@H](O)CN[C@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000584118272 331835789 /nfs/dbraw/zinc/83/57/89/331835789.db2.gz PHKUMBRGCQCDAC-VXGBXAGGSA-N 1 0 321.299 1.710 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C[C@H]1CCSC1 ZINC000583560498 335727973 /nfs/dbraw/zinc/72/79/73/335727973.db2.gz OWDFBPRAHNUBFE-NEPJUHHUSA-N 1 0 312.391 1.677 20 5 DDBDRO O=C([C@@H]1CCCCC[NH2+]1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000582786872 337164150 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CN(c1ccc([N+](=O)[O-])cc1-c1nn[nH]n1)[C@H]1CCC[N@H+](C)C1 ZINC000736856697 599120081 /nfs/dbraw/zinc/12/00/81/599120081.db2.gz LZJVAEODYQMBCM-NSHDSACASA-N 1 0 317.353 1.305 20 5 DDBDRO CC[C@@H](C)[N@H+](C)CCNc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000736324697 598420574 /nfs/dbraw/zinc/42/05/74/598420574.db2.gz HPRQLMWGUMSUQN-SNVBAGLBSA-N 1 0 319.369 1.917 20 5 DDBDRO CC[N@H+](CCNc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1)C1CC1 ZINC000736537478 598500855 /nfs/dbraw/zinc/50/08/55/598500855.db2.gz TYCMRQYZGWWWHY-UHFFFAOYSA-N 1 0 318.341 1.066 20 5 DDBDRO Cc1ccccc1C[NH+]1CCN(Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000014190223 696054445 /nfs/dbraw/zinc/05/44/45/696054445.db2.gz QKNNTVLYMYHZQU-UHFFFAOYSA-N 1 0 315.377 1.875 20 5 DDBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)s1 ZINC000049182736 696221993 /nfs/dbraw/zinc/22/19/93/696221993.db2.gz AGSATYMMKNHGFU-PWSUYJOCSA-N 1 0 310.379 1.873 20 5 DDBDRO CNc1ccc(C(=O)N2CCC23CC[NH+](C)CC3)cc1[N+](=O)[O-] ZINC000748320781 700110082 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1.593 20 5 DDBDRO Nc1ncc([N+](=O)[O-])cc1C(=O)OCCC[NH+]1CCCCC1 ZINC000800192619 700200808 /nfs/dbraw/zinc/20/08/08/700200808.db2.gz FTGZPIARMWDZHK-UHFFFAOYSA-N 1 0 308.338 1.605 20 5 DDBDRO O=C1NCC2(CC[NH+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)CC2)O1 ZINC000781999850 698671556 /nfs/dbraw/zinc/67/15/56/698671556.db2.gz POQORCNYXAVADQ-CYBMUJFWSA-N 1 0 321.333 1.203 20 5 DDBDRO Cc1c(CNC(=O)c2[nH]nc3c2C[NH2+]CC3)cccc1[N+](=O)[O-] ZINC000423811084 699146275 /nfs/dbraw/zinc/14/62/75/699146275.db2.gz OXXRKMOGLFASGM-UHFFFAOYSA-N 1 0 315.333 1.202 20 5 DDBDRO O=C(OCCn1ccc([N+](=O)[O-])n1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000786893829 699177303 /nfs/dbraw/zinc/17/73/03/699177303.db2.gz XKCGNMCHYNBHNW-CYBMUJFWSA-N 1 0 322.365 1.742 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(C2OCCO2)CC1 ZINC000718987825 699296765 /nfs/dbraw/zinc/29/67/65/699296765.db2.gz KJHCONQEEYVNLD-UHFFFAOYSA-N 1 0 310.354 1.185 20 5 DDBDRO CS(=O)(=O)C1(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000793278865 699746183 /nfs/dbraw/zinc/74/61/83/699746183.db2.gz BFRMHOHONXZWGW-UHFFFAOYSA-N 1 0 318.782 1.915 20 5 DDBDRO CN(CCCC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000740710901 699797783 /nfs/dbraw/zinc/79/77/83/699797783.db2.gz MJHALCBEHHIANA-UHFFFAOYSA-N 1 0 324.337 1.917 20 5 DDBDRO C[C@]1(C(N)=O)CC[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000794703008 699825371 /nfs/dbraw/zinc/82/53/71/699825371.db2.gz HALLPESKZSNYEL-AWEZNQCLSA-N 1 0 303.322 1.099 20 5 DDBDRO C[N@H+](CCc1ccccc1F)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000743849640 699929133 /nfs/dbraw/zinc/92/91/33/699929133.db2.gz YAPFSZUWGODOAL-CQSZACIVSA-N 1 0 322.340 1.466 20 5 DDBDRO C[C@@H]1OCC[C@@H]1[N@H+](CCO)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000796575373 699939806 /nfs/dbraw/zinc/93/98/06/699939806.db2.gz OILNKEAFOLEXGZ-TUKIKUTGSA-N 1 0 310.350 1.100 20 5 DDBDRO C[C@H]1C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)Cc2ccccc21 ZINC000744385203 699947477 /nfs/dbraw/zinc/94/74/77/699947477.db2.gz MZKFFYHYVHAYNT-WFASDCNBSA-N 1 0 316.361 1.772 20 5 DDBDRO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000801886562 700350745 /nfs/dbraw/zinc/35/07/45/700350745.db2.gz CGFKTDKECKPRNX-JTQLQIEISA-N 1 0 322.340 1.530 20 5 DDBDRO CN(C(=O)c1cc([N+](=O)[O-])c(F)cc1N)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000801891053 700351279 /nfs/dbraw/zinc/35/12/79/700351279.db2.gz GNAYFLQWFZVQBI-JTQLQIEISA-N 1 0 322.340 1.625 20 5 DDBDRO COC(=O)C[C@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000754524387 700508165 /nfs/dbraw/zinc/50/81/65/700508165.db2.gz XENFKZTZEBEGFN-LBPRGKRZSA-N 1 0 321.333 1.465 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C[NH+](C)C)C(C)C ZINC000756829088 700642858 /nfs/dbraw/zinc/64/28/58/700642858.db2.gz IHZFREIPBVSFEB-ZDUSSCGKSA-N 1 0 309.366 1.919 20 5 DDBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[N@H+](C)[C@@H](C)C1 ZINC000761077381 700840814 /nfs/dbraw/zinc/84/08/14/700840814.db2.gz RTSBDVIZGKKQQU-RYUDHWBXSA-N 1 0 306.366 1.558 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(N2CCC[N@H+](C[C@H]3CCCO3)CC2)n1 ZINC000765461401 701013931 /nfs/dbraw/zinc/01/39/31/701013931.db2.gz ABMLHTWCGHEQGL-CQSZACIVSA-N 1 0 320.393 1.989 20 5 DDBDRO O=C(CC[NH2+][C@@H](CCO)C1CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000771800461 701331330 /nfs/dbraw/zinc/33/13/30/701331330.db2.gz OWWSFXRBEAFSSD-AWEZNQCLSA-N 1 0 307.350 1.674 20 5 DDBDRO C[NH+](C)C1CC(NC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C1 ZINC000808023558 701494789 /nfs/dbraw/zinc/49/47/89/701494789.db2.gz OUGPBRVBUAMJME-UHFFFAOYSA-N 1 0 321.362 1.422 20 5 DDBDRO CC[NH+](CC)CCS(=O)(=O)Oc1ccc([N+](=O)[O-])c(F)c1 ZINC000810043759 701716107 /nfs/dbraw/zinc/71/61/07/701716107.db2.gz DWSZPQRUWSWBOJ-UHFFFAOYSA-N 1 0 320.342 1.784 20 5 DDBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000839568223 701738735 /nfs/dbraw/zinc/73/87/35/701738735.db2.gz OBYUGTCXURKAEV-ZGKBOVNRSA-N 1 0 303.362 1.603 20 5 DDBDRO CN(C)C(=O)[C@@H]1CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000839636468 701761559 /nfs/dbraw/zinc/76/15/59/701761559.db2.gz SPONLTJVRYZFJT-OCCSQVGLSA-N 1 0 307.350 1.038 20 5 DDBDRO Cc1nnc([C@H]2CC[N@H+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)C2)[nH]1 ZINC000839658319 701769140 /nfs/dbraw/zinc/76/91/40/701769140.db2.gz FAMHGQDRLDNQOP-GXTWGEPZSA-N 1 0 317.349 1.544 20 5 DDBDRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000839683811 701782514 /nfs/dbraw/zinc/78/25/14/701782514.db2.gz PSKYWIGMEZPYDL-APHBMKBZSA-N 1 0 317.389 1.993 20 5 DDBDRO Cc1ccccc1[C@H]([C@H](C)NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[NH+](C)C ZINC000839761212 701814356 /nfs/dbraw/zinc/81/43/56/701814356.db2.gz LYPMYJQNMIXRSA-MYPMTAMASA-N 1 0 305.378 1.768 20 5 DDBDRO Nc1ccc(C(=O)O[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000810850732 701861540 /nfs/dbraw/zinc/86/15/40/701861540.db2.gz NXBIWAGIPBWRCM-RYUDHWBXSA-N 1 0 305.334 1.961 20 5 DDBDRO COc1ccc(C(=O)N[C@@H](C)C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000868008702 701888978 /nfs/dbraw/zinc/88/89/78/701888978.db2.gz VOJOEYNSYHQUGE-JTQLQIEISA-N 1 0 307.350 1.721 20 5 DDBDRO Cc1cc(C(=O)N2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)cc([N+](=O)[O-])c1 ZINC000812325283 702150686 /nfs/dbraw/zinc/15/06/86/702150686.db2.gz OSTGSBPDGSROGQ-OCCSQVGLSA-N 1 0 303.362 1.927 20 5 DDBDRO NC[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CC1 ZINC000841027963 702315842 /nfs/dbraw/zinc/31/58/42/702315842.db2.gz HVIRJFHOPAWWKQ-MRXNPFEDSA-N 1 0 304.394 1.891 20 5 DDBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)[C@H]1C[C@]12CC[NH2+]C2 ZINC000831217915 706659963 /nfs/dbraw/zinc/65/99/63/706659963.db2.gz OAEBDBWJIQBWQK-RISCZKNCSA-N 1 0 309.753 1.864 20 5 DDBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H](O)c1cnn(C)c1 ZINC000866274270 706662654 /nfs/dbraw/zinc/66/26/54/706662654.db2.gz YXFUMPRYXVHJOC-BMIGLBTASA-N 1 0 322.340 1.722 20 5 DDBDRO COC[C@@H](O)CC[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866312388 706671142 /nfs/dbraw/zinc/67/11/42/706671142.db2.gz MOUXNHLUZSVVEJ-GWCFXTLKSA-N 1 0 300.330 1.652 20 5 DDBDRO C[NH2+]CCN(C)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000841855684 702589256 /nfs/dbraw/zinc/58/92/56/702589256.db2.gz LNNJUCHLVGPHAS-UHFFFAOYSA-N 1 0 300.746 1.609 20 5 DDBDRO C[C@H]1CN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CC[NH2+]1 ZINC000841857449 702590327 /nfs/dbraw/zinc/59/03/27/702590327.db2.gz ZGYABKTUGDDJDR-VIFPVBQESA-N 1 0 312.757 1.752 20 5 DDBDRO COc1ccc(OS(=O)(=O)CCC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000866395287 706688886 /nfs/dbraw/zinc/68/88/86/706688886.db2.gz PMCVGWZIBQPTDP-UHFFFAOYSA-N 1 0 318.351 1.264 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N(C)CC[NH3+])c1 ZINC000842486302 702728397 /nfs/dbraw/zinc/72/83/97/702728397.db2.gz XASIWJAYNPFVEQ-UHFFFAOYSA-N 1 0 307.759 1.136 20 5 DDBDRO Cc1nn(C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)c2ncc([N+](=O)[O-])cc12 ZINC000842625255 702744735 /nfs/dbraw/zinc/74/47/35/702744735.db2.gz ICCVOQWSTPQTFV-RISCZKNCSA-N 1 0 317.349 1.716 20 5 DDBDRO Cc1cc(S(=O)(=O)N[C@@H](C)C[C@H](C)[NH3+])cc([N+](=O)[O-])c1F ZINC000842915893 702790806 /nfs/dbraw/zinc/79/08/06/702790806.db2.gz WBXPYLASRRNQJK-IUCAKERBSA-N 1 0 319.358 1.446 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CCc2ccc(CO)cc2)cc1 ZINC000843076531 702814278 /nfs/dbraw/zinc/81/42/78/702814278.db2.gz KEAQCGULNKLRLD-QGZVFWFLSA-N 1 0 316.357 1.953 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@@H](O)C2CCOCC2)c1 ZINC000843083991 702815828 /nfs/dbraw/zinc/81/58/28/702815828.db2.gz TXTMEMZKJWMKMU-HUUCEWRRSA-N 1 0 310.350 1.005 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@@]2(CCO)CCOC2)c1 ZINC000843100293 702818955 /nfs/dbraw/zinc/81/89/55/702818955.db2.gz IJGJQUVTJJZHRZ-LSDHHAIUSA-N 1 0 310.350 1.007 20 5 DDBDRO Cc1nn(CCc2nc([C@H]([NH3+])C(C)C)no2)c(C)c1[N+](=O)[O-] ZINC000843150543 702828618 /nfs/dbraw/zinc/82/86/18/702828618.db2.gz KKGZOZVVSQIVEL-LLVKDONJSA-N 1 0 308.342 1.690 20 5 DDBDRO O=[N+]([O-])c1ccccc1Cc1noc(C[C@H]2C[NH2+]CCO2)n1 ZINC000843170922 702832591 /nfs/dbraw/zinc/83/25/91/702832591.db2.gz NAGVSBTYDXVTME-NSHDSACASA-N 1 0 304.306 1.100 20 5 DDBDRO C[C@@H]1[NH2+]CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@H]1C ZINC000843377818 702870161 /nfs/dbraw/zinc/87/01/61/702870161.db2.gz UWAFOWYBDBCPIJ-QWRGUYRKSA-N 1 0 324.356 1.745 20 5 DDBDRO O=C(CO[C@@H]1CCC[NH2+]C1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000843440342 702882810 /nfs/dbraw/zinc/88/28/10/702882810.db2.gz XFPAFORLXWPULA-LLVKDONJSA-N 1 0 305.334 1.253 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)NCCC[NH2+]C1CC1 ZINC000843512664 702897698 /nfs/dbraw/zinc/89/76/98/702897698.db2.gz MGDIVFACQTXDNN-UHFFFAOYSA-N 1 0 311.313 1.371 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879534845 706711578 /nfs/dbraw/zinc/71/15/78/706711578.db2.gz YXNWXTUQXWJGDI-HONMWMINSA-N 1 0 317.345 1.511 20 5 DDBDRO CC[C@H](CO)[NH2+]CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000844256661 703001557 /nfs/dbraw/zinc/00/15/57/703001557.db2.gz GACVHKTVKYCYPK-SNVBAGLBSA-N 1 0 311.338 1.293 20 5 DDBDRO CC(C)(C)[N@@H+]1CC[C@H]1COC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000845736059 703195098 /nfs/dbraw/zinc/19/50/98/703195098.db2.gz RHGDHDLHLZRSJK-NSHDSACASA-N 1 0 324.381 1.942 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)CC[C@@H]21 ZINC000879583215 706727655 /nfs/dbraw/zinc/72/76/55/706727655.db2.gz WQDKDLMIMHYUNA-ABAIWWIYSA-N 1 0 315.377 1.997 20 5 DDBDRO CN1C[C@@H]([N@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)CCC1=O ZINC000846920832 703352026 /nfs/dbraw/zinc/35/20/26/703352026.db2.gz OHDNONXBUJAWFG-KBPBESRZSA-N 1 0 307.350 1.181 20 5 DDBDRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000846972750 703359180 /nfs/dbraw/zinc/35/91/80/703359180.db2.gz MMWKJAPOBYVRCG-UKRRQHHQSA-N 1 0 321.377 1.571 20 5 DDBDRO CCO[C@H](CNC(=O)c1c(C)ccc([N+](=O)[O-])c1C)C[NH+](C)C ZINC000831694965 706755129 /nfs/dbraw/zinc/75/51/29/706755129.db2.gz JRJZLPDVNCBIHA-CYBMUJFWSA-N 1 0 323.393 1.908 20 5 DDBDRO COC(CC[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1)OC ZINC000851717704 703835916 /nfs/dbraw/zinc/83/59/16/703835916.db2.gz VFAIYOWBDKOMOS-UHFFFAOYSA-N 1 0 310.354 1.121 20 5 DDBDRO CCO[C@H](CNC(=O)c1ccc([N+](=O)[O-])s1)C[NH+](C)C ZINC000831777363 706777950 /nfs/dbraw/zinc/77/79/50/706777950.db2.gz XYPPCNFDIJJOME-SECBINFHSA-N 1 0 301.368 1.353 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+](CCOCCO)C2CCC2)c1 ZINC000852291382 703998581 /nfs/dbraw/zinc/99/85/81/703998581.db2.gz WBLRVJPBMPZDJU-INIZCTEOSA-N 1 0 324.377 1.492 20 5 DDBDRO C[NH+]1CCC2(CCN(C(=O)c3ccc([N+](=O)[O-])cn3)CC2)CC1 ZINC000870507133 704064578 /nfs/dbraw/zinc/06/45/78/704064578.db2.gz DMUOAVQNWFOPLG-UHFFFAOYSA-N 1 0 318.377 1.938 20 5 DDBDRO COC(=O)N(C)CC[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000852570434 704077254 /nfs/dbraw/zinc/07/72/54/704077254.db2.gz COBIHDXTGXYYFT-UHFFFAOYSA-N 1 0 311.338 1.604 20 5 DDBDRO CO[C@@H]1COCC[C@H]1C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819343725 704110651 /nfs/dbraw/zinc/11/06/51/704110651.db2.gz ATTXPRDJYJFKOI-NWANDNLSSA-N 1 0 310.350 1.269 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)CCC12CC(C1)C[NH2+]2 ZINC000870870568 704151664 /nfs/dbraw/zinc/15/16/64/704151664.db2.gz DDBJMCFOBLHACA-UHFFFAOYSA-N 1 0 319.361 1.752 20 5 DDBDRO CN(CC[N@H+](C)C1CC1)C(=O)[C@@](C)(N)c1cccc([N+](=O)[O-])c1 ZINC000870928105 704172351 /nfs/dbraw/zinc/17/23/51/704172351.db2.gz DXGVAHGXBNLCKV-INIZCTEOSA-N 1 0 320.393 1.321 20 5 DDBDRO Cc1noc(CONC(=[NH2+])[C@@H](C)OCC(C)C)c1[N+](=O)[O-] ZINC000853675651 704297419 /nfs/dbraw/zinc/29/74/19/704297419.db2.gz ZBWRYPOUOWERGS-SECBINFHSA-N 1 0 300.315 1.951 20 5 DDBDRO [NH3+]C1(Cc2nc(CCNc3ccccc3[N+](=O)[O-])no2)CC1 ZINC000854140097 704360771 /nfs/dbraw/zinc/36/07/71/704360771.db2.gz YMTMOORVMUASFU-UHFFFAOYSA-N 1 0 303.322 1.666 20 5 DDBDRO CC(C)[C@@H]1CN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000856490362 704531027 /nfs/dbraw/zinc/53/10/27/704531027.db2.gz JYIMVQMJAFEYMI-KBPBESRZSA-N 1 0 307.350 1.085 20 5 DDBDRO [NH3+]C[C@@H]1CCN(C(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000857763933 704621791 /nfs/dbraw/zinc/62/17/91/704621791.db2.gz BEFZYUUNWWTPJE-VIFPVBQESA-N 1 0 315.276 1.374 20 5 DDBDRO [NH3+]C[C@H]1CCCN1C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857768304 704622962 /nfs/dbraw/zinc/62/29/62/704622962.db2.gz OZWZPPVBLTWUJA-SNVBAGLBSA-N 1 0 315.276 1.516 20 5 DDBDRO CC[NH2+][C@H](C)CNC(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857768830 704623152 /nfs/dbraw/zinc/62/31/52/704623152.db2.gz VDKQSPVJLIOVCH-SECBINFHSA-N 1 0 317.292 1.681 20 5 DDBDRO C[C@@H]1CC[C@H](NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C[NH2+]1 ZINC000858631447 704737551 /nfs/dbraw/zinc/73/75/51/704737551.db2.gz DJMSRZVCLGMAQN-BDAKNGLRSA-N 1 0 317.342 1.153 20 5 DDBDRO C[C@@H]1C[N@H+](CCO)CCN1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000832783215 706983584 /nfs/dbraw/zinc/98/35/84/706983584.db2.gz PEYFLYLBOHMJDS-LLVKDONJSA-N 1 0 313.785 1.747 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000874827076 705185563 /nfs/dbraw/zinc/18/55/63/705185563.db2.gz AXDOFSOVTYSJAD-KGLIPLIRSA-N 1 0 319.361 1.912 20 5 DDBDRO CC[N@H+](CCO)CCNC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000860894339 705312849 /nfs/dbraw/zinc/31/28/49/705312849.db2.gz QCZCMXRFETVYGQ-UHFFFAOYSA-N 1 0 315.757 1.292 20 5 DDBDRO CO[C@H]1C[N@H+](C)[C@](C)(COC(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000861343129 705434736 /nfs/dbraw/zinc/43/47/36/705434736.db2.gz YYEATNIWWZEMQO-ABAIWWIYSA-N 1 0 323.349 1.443 20 5 DDBDRO C[C@@H]([NH3+])CN(C)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000861620315 705522592 /nfs/dbraw/zinc/52/25/92/705522592.db2.gz WGJUKPVLMNBFPS-SECBINFHSA-N 1 0 314.773 1.779 20 5 DDBDRO C[NH+](C)CCONC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000861857833 705588205 /nfs/dbraw/zinc/58/82/05/705588205.db2.gz IOZDOJPGPWDMMK-UHFFFAOYSA-N 1 0 303.318 1.971 20 5 DDBDRO O=C([C@H](O)c1cccc([N+](=O)[O-])c1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000825615260 705703163 /nfs/dbraw/zinc/70/31/63/705703163.db2.gz ORRXPRDLMPYAJL-LSDHHAIUSA-N 1 0 319.361 1.325 20 5 DDBDRO C[N@H+](Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1)CC1(C)COC1 ZINC000863298458 705894450 /nfs/dbraw/zinc/89/44/50/705894450.db2.gz FAGYCOXJBXUNET-UHFFFAOYSA-N 1 0 317.349 1.779 20 5 DDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]CCCCn3ccnc3)C2)c1 ZINC000876958981 705938787 /nfs/dbraw/zinc/93/87/87/705938787.db2.gz MSTZBHQBTGKCRH-UHFFFAOYSA-N 1 0 304.354 1.761 20 5 DDBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(C)C[C@H](C)[NH3+] ZINC000863566014 705959663 /nfs/dbraw/zinc/95/96/63/705959663.db2.gz AAPUYMBQICOVBO-DTWKUNHWSA-N 1 0 314.773 1.854 20 5 DDBDRO COc1cc(CN(C)C[C@H](C)[NH3+])c([N+](=O)[O-])cc1OC(F)F ZINC000863568557 705960565 /nfs/dbraw/zinc/96/05/65/705960565.db2.gz LKFKGNFHAUAUID-QMMMGPOBSA-N 1 0 319.308 1.984 20 5 DDBDRO C[NH2+]CCOCCN(C)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000877028156 705964675 /nfs/dbraw/zinc/96/46/75/705964675.db2.gz ZGTNHFMVXLAOQR-VMPITWQZSA-N 1 0 307.350 1.302 20 5 DDBDRO C[C@@H]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C[NH2+]1 ZINC000877050071 705972156 /nfs/dbraw/zinc/97/21/56/705972156.db2.gz XSSANNGFRAOPMJ-MNOVXSKESA-N 1 0 306.366 1.531 20 5 DDBDRO C[N@@H+]1CC[C@H]2CN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000827320512 705975025 /nfs/dbraw/zinc/97/50/25/705975025.db2.gz RZBLQYDYIYZJMY-HZMBPMFUSA-N 1 0 307.325 1.900 20 5 DDBDRO [NH3+]C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C(F)(F)F ZINC000877371162 706083587 /nfs/dbraw/zinc/08/35/87/706083587.db2.gz MKILEYQDEWJFBC-GXSJLCMTSA-N 1 0 317.267 1.804 20 5 DDBDRO O=C(CNc1ccccc1[N+](=O)[O-])N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000877395654 706094608 /nfs/dbraw/zinc/09/46/08/706094608.db2.gz LRBSVMRGDGUVIA-UKRRQHHQSA-N 1 0 304.350 1.408 20 5 DDBDRO CCc1nnc(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)s1 ZINC000877542402 706137048 /nfs/dbraw/zinc/13/70/48/706137048.db2.gz YFPHVZYCSYUIED-UHFFFAOYSA-N 1 0 308.367 1.699 20 5 DDBDRO C[C@@H]1CN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)[C@H](C)CN1C ZINC000828249358 706146360 /nfs/dbraw/zinc/14/63/60/706146360.db2.gz ZZZUWWDCXBVOAY-JTNHKYCSSA-N 1 0 307.350 1.179 20 5 DDBDRO O=[N+]([O-])c1ccc(NC[C@@H]2CCCC[N@H+]2CCO)c([N+](=O)[O-])c1 ZINC000828461508 706184043 /nfs/dbraw/zinc/18/40/43/706184043.db2.gz ZWBPZQIQQXBPRG-LBPRGKRZSA-N 1 0 324.337 1.762 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@H]3C[C@H](O)C3)CC2)cn1 ZINC000877811411 706222823 /nfs/dbraw/zinc/22/28/23/706222823.db2.gz JSQHLVFHAQLGNA-YEORSEQZSA-N 1 0 306.366 1.319 20 5 DDBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000829449525 706334998 /nfs/dbraw/zinc/33/49/98/706334998.db2.gz CEDNZBPSZOMRCU-KFWWJZLASA-N 1 0 303.362 1.909 20 5 DDBDRO CN(C(=O)Cc1cccc(F)c1[N+](=O)[O-])[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000865718305 706505086 /nfs/dbraw/zinc/50/50/86/706505086.db2.gz XXVAVMNAPLHXSH-CYBMUJFWSA-N 1 0 321.352 1.972 20 5 DDBDRO CO[C@@H]1COCC[C@@H]1[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000880434021 706974832 /nfs/dbraw/zinc/97/48/32/706974832.db2.gz VOMMNTDVPXIFIM-SOUVJXGZSA-N 1 0 310.350 1.364 20 5 DDBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872152330 707305036 /nfs/dbraw/zinc/30/50/36/707305036.db2.gz PDGKGEYWYDOHFS-MQIPJXDCSA-N 1 0 318.377 1.463 20 5 DDBDRO CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000882476846 707648400 /nfs/dbraw/zinc/64/84/00/707648400.db2.gz DVQQFFQCFSEFRR-JTQLQIEISA-N 1 0 323.349 1.436 20 5 DDBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000882489197 707660820 /nfs/dbraw/zinc/66/08/20/707660820.db2.gz NXXXPUCWELWXRP-SNVBAGLBSA-N 1 0 302.334 1.900 20 5 DDBDRO Cc1c(C[NH2+]C[C@H]2CC[C@H](C(=O)N(C)C)O2)cccc1[N+](=O)[O-] ZINC000873100935 707732131 /nfs/dbraw/zinc/73/21/31/707732131.db2.gz JFLDRMWLZHQZRB-UKRRQHHQSA-N 1 0 321.377 1.629 20 5 DDBDRO COc1ccc(C[NH2+][C@H]2CC(=O)N(CC3CC3)C2)cc1[N+](=O)[O-] ZINC000883403416 707991863 /nfs/dbraw/zinc/99/18/63/707991863.db2.gz RZMNXSBETKZEEE-ZDUSSCGKSA-N 1 0 319.361 1.704 20 5 DDBDRO CON1CCC([N@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000839132347 708028778 /nfs/dbraw/zinc/02/87/78/708028778.db2.gz ZMPRYHDPQHWBPE-HNNXBMFYSA-N 1 0 309.366 1.586 20 5 DDBDRO O=[N+]([O-])c1cnc(N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)c(F)c1 ZINC000897216830 708256070 /nfs/dbraw/zinc/25/60/70/708256070.db2.gz VTKMGRUDZGWOLA-QWHCGFSZSA-N 1 0 310.329 1.164 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)c(F)c1 ZINC000897220529 708258900 /nfs/dbraw/zinc/25/89/00/708258900.db2.gz XCDXIFYUDIIXLQ-LSDHHAIUSA-N 1 0 309.341 1.769 20 5 DDBDRO O=[N+]([O-])c1ncccc1CN1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000886188160 708712038 /nfs/dbraw/zinc/71/20/38/708712038.db2.gz MENSLUBVGYBHGT-HNNXBMFYSA-N 1 0 320.393 1.677 20 5 DDBDRO O=[N+]([O-])c1ncccc1CN1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000886315208 708741201 /nfs/dbraw/zinc/74/12/01/708741201.db2.gz ARXWAALZLLYUDB-HNNXBMFYSA-N 1 0 320.393 1.723 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[N@@H+](C)C[C@@H]1CC(C)C ZINC000886593587 708785431 /nfs/dbraw/zinc/78/54/31/708785431.db2.gz UVHVRITZDVKLDZ-ZDUSSCGKSA-N 1 0 323.397 1.288 20 5 DDBDRO CCOc1ccc([C@H](C)[NH2+]CCN2CCNC2=O)cc1[N+](=O)[O-] ZINC000886743295 708832339 /nfs/dbraw/zinc/83/23/39/708832339.db2.gz ZTPWHGUBTOJJKN-NSHDSACASA-N 1 0 322.365 1.669 20 5 DDBDRO CCN(CC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@@H]1CC[NH2+]C1 ZINC000886858299 708866997 /nfs/dbraw/zinc/86/69/97/708866997.db2.gz VOAVGINVCRZXMO-CYBMUJFWSA-N 1 0 306.366 1.526 20 5 DDBDRO COC[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CCCOC1 ZINC000886913860 708892986 /nfs/dbraw/zinc/89/29/86/708892986.db2.gz LLMLNQUHGKBYTE-BPUTZDHNSA-N 1 0 324.377 1.659 20 5 DDBDRO C[C@@H]1CN(C(=O)c2ccc(C[NH2+]CC[N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000899876186 709224713 /nfs/dbraw/zinc/22/47/13/709224713.db2.gz OYIOJVFLZUVFKG-CHWSQXEVSA-N 1 0 321.377 1.302 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000900046898 709275974 /nfs/dbraw/zinc/27/59/74/709275974.db2.gz WDDLINHTDQXGJD-VHSXEESVSA-N 1 0 306.322 1.004 20 5 DDBDRO Cc1n[nH]c(C(=O)N2CCCC[C@H]2[C@@H](C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000912811834 713098551 /nfs/dbraw/zinc/09/85/51/713098551.db2.gz ORXQGARZATYAPZ-JQWIXIFHSA-N 1 0 323.397 1.819 20 5 DDBDRO O=C(COc1ccccc1[N+](=O)[O-])N1CC[C@H]([NH+]2CCC2)C1 ZINC000912929377 713127135 /nfs/dbraw/zinc/12/71/35/713127135.db2.gz YJPZXCWBACZXSZ-LBPRGKRZSA-N 1 0 305.334 1.280 20 5 DDBDRO Cc1ccc([C@H](C)NC(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)cc1[N+](=O)[O-] ZINC000900968697 709854570 /nfs/dbraw/zinc/85/45/70/709854570.db2.gz WRMDPUMODKBGAS-RBOXIYTFSA-N 1 0 321.377 1.536 20 5 DDBDRO C[N@@H+]1C[C@@]2(C)CN(C(=O)c3cc([N+](=O)[O-])ccc3N)C[C@@]2(C)C1 ZINC000913282133 713190694 /nfs/dbraw/zinc/19/06/94/713190694.db2.gz YOARWAVSWCEJSW-IYBDPMFKSA-N 1 0 318.377 1.591 20 5 DDBDRO CC[N@H+](CCO)CCNCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000893645909 710762330 /nfs/dbraw/zinc/76/23/30/710762330.db2.gz AWGBMOHHRZCENF-UHFFFAOYSA-N 1 0 301.774 1.652 20 5 DDBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000893872506 710867565 /nfs/dbraw/zinc/86/75/65/710867565.db2.gz KVXNSPKRHFFLFQ-GFCCVEGCSA-N 1 0 307.350 1.574 20 5 DDBDRO COc1cc([C@@H](C)[NH2+]CCN2CCNC2=O)cc([N+](=O)[O-])c1 ZINC000903218133 711069853 /nfs/dbraw/zinc/06/98/53/711069853.db2.gz AXKQOQNXJNYJTK-SNVBAGLBSA-N 1 0 308.338 1.279 20 5 DDBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CCN(C)[C@H]1C ZINC000903302853 711094474 /nfs/dbraw/zinc/09/44/74/711094474.db2.gz GIECIXFYBSUOHV-XUJVJEKNSA-N 1 0 320.393 1.994 20 5 DDBDRO CC[C@H]([NH2+]CCCc1nnnn1C)c1cccc([N+](=O)[O-])c1 ZINC000903344537 711098762 /nfs/dbraw/zinc/09/87/62/711098762.db2.gz QFNSYDTZQFSRAB-ZDUSSCGKSA-N 1 0 304.354 1.792 20 5 DDBDRO COc1ccc(OCCN2C[C@@H]([NH3+])C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000903556073 711192172 /nfs/dbraw/zinc/19/21/72/711192172.db2.gz MGMPTNJIQYCZSQ-CQSZACIVSA-N 1 0 309.366 1.651 20 5 DDBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)C12CC(C1)C[NH2+]2 ZINC000912150059 711193554 /nfs/dbraw/zinc/19/35/54/711193554.db2.gz JNKBCKMJBNUEIK-UHFFFAOYSA-N 1 0 309.753 1.959 20 5 DDBDRO COc1c(O)ccc(CN2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000894638822 711226481 /nfs/dbraw/zinc/22/64/81/711226481.db2.gz HFPJOAMLPOCPIN-PHIMTYICSA-N 1 0 309.366 1.833 20 5 DDBDRO O=[N+]([O-])c1cccc(Br)c1CN1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000903778864 711276855 /nfs/dbraw/zinc/27/68/55/711276855.db2.gz RKWZPGVFUOTYNP-IUCAKERBSA-N 1 0 312.167 1.903 20 5 DDBDRO C[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)C[C@H]1C(C)(C)C ZINC000895100667 711411390 /nfs/dbraw/zinc/41/13/90/711411390.db2.gz DTFOISQZPBLHFQ-AWEZNQCLSA-N 1 0 320.393 1.860 20 5 DDBDRO C[C@H](Nc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1CN(C)CC[N@@H+]1C ZINC000895246826 711464533 /nfs/dbraw/zinc/46/45/33/711464533.db2.gz QNLVKDDNNJISRN-HZMBPMFUSA-N 1 0 318.381 1.517 20 5 DDBDRO C[N@@H+]1CC[C@@H]1CNc1ccc([N+](=O)[O-])cc1C(=O)NC1CC1 ZINC000895767826 711600507 /nfs/dbraw/zinc/60/05/07/711600507.db2.gz SAJILWICXFUUSD-GFCCVEGCSA-N 1 0 304.350 1.603 20 5 DDBDRO Cc1ccc(C[NH2+][C@H]2C(=O)NCC23CCOCC3)cc1[N+](=O)[O-] ZINC000895773093 711602740 /nfs/dbraw/zinc/60/27/40/711602740.db2.gz NYMONZUQFVNSLS-AWEZNQCLSA-N 1 0 319.361 1.288 20 5 DDBDRO C[C@@](CO)(NC(=O)C12CC[NH+](CC1)C2)c1cccc([N+](=O)[O-])c1 ZINC000913659350 713276648 /nfs/dbraw/zinc/27/66/48/713276648.db2.gz IGAMMFBMHFGNJZ-HNNXBMFYSA-N 1 0 319.361 1.014 20 5 DDBDRO C[C@@H](NC(=O)c1csc([N+](=O)[O-])c1)[C@H]1C[N@H+](C)CCN1C ZINC000896572426 711756111 /nfs/dbraw/zinc/75/61/11/711756111.db2.gz VBLUSBVZIRDZTC-MWLCHTKSSA-N 1 0 312.395 1.020 20 5 DDBDRO COc1cc(CN2CC[C@@H]([NH2+]CC[N+](=O)[O-])C2)cc(OC)c1 ZINC000905158501 711954996 /nfs/dbraw/zinc/95/49/96/711954996.db2.gz GUMHRAVEOCHXNB-CYBMUJFWSA-N 1 0 309.366 1.144 20 5 DDBDRO C[C@@]1(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCCCO1 ZINC000905592421 712088645 /nfs/dbraw/zinc/08/86/45/712088645.db2.gz YXPCYLDMRHDKIQ-ZBFHGGJFSA-N 1 0 324.377 1.883 20 5 DDBDRO Cc1n[nH]c(C(=O)N2[C@@H](CC[NH+](C)C)CCC[C@@H]2C)c1[N+](=O)[O-] ZINC000914444057 713396275 /nfs/dbraw/zinc/39/62/75/713396275.db2.gz OVIGKETXHXVVDD-CMPLNLGQSA-N 1 0 323.397 1.961 20 5 DDBDRO Cc1c(NC(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000929222367 713570296 /nfs/dbraw/zinc/57/02/96/713570296.db2.gz HAIZXGFOFSKHKC-TXEJJXNPSA-N 1 0 304.350 1.929 20 5 DDBDRO CCOCCOCC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000929987476 713729467 /nfs/dbraw/zinc/72/94/67/713729467.db2.gz JYJLLHMCJHRKKR-ZDUSSCGKSA-N 1 0 324.381 1.529 20 5 DDBDRO CCN1CCC[C@H]([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)C1=O ZINC000922641175 714108880 /nfs/dbraw/zinc/10/88/80/714108880.db2.gz ZBFDTIQSQHEZPS-LBPRGKRZSA-N 1 0 307.350 1.704 20 5 DDBDRO Cn1nccc1[C@H](O)C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000922973793 714201106 /nfs/dbraw/zinc/20/11/06/714201106.db2.gz RWOLSVMYNIDHMF-ZDTYVGOBSA-N 1 0 302.334 1.665 20 5 DDBDRO C[C@@H]1C[N@H+](CC[N+](=O)[O-])C[C@H]1CCNC(=O)OC(C)(C)C ZINC000931956515 714220353 /nfs/dbraw/zinc/22/03/53/714220353.db2.gz LYAZVNZZLQRQMN-VXGBXAGGSA-N 1 0 301.387 1.746 20 5 DDBDRO C[C@@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCCO1 ZINC000932180665 714280429 /nfs/dbraw/zinc/28/04/29/714280429.db2.gz BUQUVXZLYLVNBI-JMSVASOKSA-N 1 0 321.377 1.929 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000923297537 714301798 /nfs/dbraw/zinc/30/17/98/714301798.db2.gz JNRUOYXWCSKWAB-QWHCGFSZSA-N 1 0 318.377 1.702 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC[C@H]3C[NH2+]C[C@H]32)c1 ZINC000923361347 714327684 /nfs/dbraw/zinc/32/76/84/714327684.db2.gz PCACHPICMXERHE-JGGQBBKZSA-N 1 0 321.377 1.018 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CC[C@@]2(CCC[NH2+]2)C1 ZINC000923382437 714335756 /nfs/dbraw/zinc/33/57/56/714335756.db2.gz YUIGCLXFOQPYRB-BBRMVZONSA-N 1 0 321.377 1.162 20 5 DDBDRO C[C@@H]1[NH2+]C[C@H](C)N(C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000923437192 714355064 /nfs/dbraw/zinc/35/50/64/714355064.db2.gz WNRGBTNLKQDSTA-ABHRYQDASA-N 1 0 323.393 1.405 20 5 DDBDRO C[C@@H]1C[NH2+][C@@H](C)[C@H](C)N1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000923440955 714356586 /nfs/dbraw/zinc/35/65/86/714356586.db2.gz JPQTUTZLNCJWAT-WOPDTQHZSA-N 1 0 306.366 1.604 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923520571 714388680 /nfs/dbraw/zinc/38/86/80/714388680.db2.gz FVRXNWUEQXMNMM-QWHCGFSZSA-N 1 0 318.377 1.383 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCC[C@@H]2C2OCCO2)cc1 ZINC000933902376 714697269 /nfs/dbraw/zinc/69/72/69/714697269.db2.gz ZNTPYTDCSFMBHB-ZIAGYGMSSA-N 1 0 308.334 1.466 20 5 DDBDRO COC(=O)C[C@@H]([NH2+]CCn1c(C)ncc1[N+](=O)[O-])C(C)(C)C ZINC000934036705 714728046 /nfs/dbraw/zinc/72/80/46/714728046.db2.gz NORXIILABDAEOK-LLVKDONJSA-N 1 0 312.370 1.667 20 5 DDBDRO C[N@H+]1C[C@H]2CN(C(=O)CCc3cc(F)ccc3[N+](=O)[O-])C[C@H]2C1 ZINC000935694248 715118385 /nfs/dbraw/zinc/11/83/85/715118385.db2.gz MQYAKCCBNVIIND-BETUJISGSA-N 1 0 321.352 1.687 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC001164637377 719160839 /nfs/dbraw/zinc/16/08/39/719160839.db2.gz OKGXOHOZYHVQBG-UWVGGRQHSA-N 1 0 308.338 1.305 20 5 DDBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@H](C)[N@H+](C)C[C@H]1C ZINC001164643443 719218253 /nfs/dbraw/zinc/21/82/53/719218253.db2.gz YVJKPLLLUMSRBP-WDEREUQCSA-N 1 0 322.365 1.695 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)nc1Cl ZINC001164664943 719385799 /nfs/dbraw/zinc/38/57/99/719385799.db2.gz DAHCHOGOLPNYCK-GHMZBOCLSA-N 1 0 312.757 1.471 20 5 DDBDRO C[N@@H+]1CCO[C@H]2CN(c3ncnc4cc([N+](=O)[O-])ccc43)C[C@@H]21 ZINC001164667325 719389464 /nfs/dbraw/zinc/38/94/64/719389464.db2.gz NVBGKOPMJYIDNC-KBPBESRZSA-N 1 0 315.333 1.057 20 5 DDBDRO O=[N+]([O-])c1cnc(N2CC[NH+](C3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC001165029158 721854497 /nfs/dbraw/zinc/85/44/97/721854497.db2.gz UPAZAJLMCPMNCE-UHFFFAOYSA-N 1 0 321.337 1.963 20 5 DDBDRO N=c1cc(C[NH3+])ccn1-c1ncnc2sc([N+](=O)[O-])cc21 ZINC001167692628 736144104 /nfs/dbraw/zinc/14/41/04/736144104.db2.gz KIERJOAEWRLESR-UHFFFAOYSA-N 1 0 302.319 1.328 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCCC[C@@H]2[NH+](C)C)n1 ZINC001125817206 736216278 /nfs/dbraw/zinc/21/62/78/736216278.db2.gz HOUVTVIZGWRTDX-MNOVXSKESA-N 1 0 309.370 1.414 20 5 DDBDRO O=[N+]([O-])c1cc(NCC[NH+]2CCSCC2)cn2cnnc12 ZINC001167837575 738998566 /nfs/dbraw/zinc/99/85/66/738998566.db2.gz SFRUPOWEENHOTQ-UHFFFAOYSA-N 1 0 308.367 1.098 20 5 DDBDRO COC(=O)c1ncc([N+](=O)[O-])c(C)c1N[C@H]1C[NH2+]CC[C@H]1F ZINC001168227213 741832025 /nfs/dbraw/zinc/83/20/25/741832025.db2.gz OXMFCFUCQISGSE-BDAKNGLRSA-N 1 0 312.301 1.197 20 5 DDBDRO COC(=O)COc1c(C)cc(-n2cc(C[NH3+])cn2)cc1[N+](=O)[O-] ZINC001168261507 741852854 /nfs/dbraw/zinc/85/28/54/741852854.db2.gz MMHLPMJPHKKIHQ-UHFFFAOYSA-N 1 0 320.305 1.099 20 5 DDBDRO O=C(NCC[NH2+]Cc1cccc2ccccc21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126936491 742841715 /nfs/dbraw/zinc/84/17/15/742841715.db2.gz LFFBKOBNMXSDRU-HZPDHXFCSA-N 1 0 313.357 1.711 20 5 DDBDRO O=C(NC1CC[NH+](CCC2CCCC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001002789628 743419265 /nfs/dbraw/zinc/41/92/65/743419265.db2.gz WLYQQFUVTPDOJB-HUUCEWRRSA-N 1 0 309.410 1.813 20 5 DDBDRO NC1=CCN(c2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)[NH2+]1 ZINC001187585557 744580179 /nfs/dbraw/zinc/58/01/79/744580179.db2.gz ALSUCCFFZMUCRS-UHFFFAOYSA-N 1 0 310.313 1.951 20 5 DDBDRO CCN(CCNc1ncccc1[N+](=O)[O-])C(=O)CC[NH+](C)C ZINC001106946661 748220028 /nfs/dbraw/zinc/22/00/28/748220028.db2.gz NSZNEXMWNMPGPA-UHFFFAOYSA-N 1 0 309.370 1.202 20 5 DDBDRO COc1cc(C)c([N+](=O)[O-])cc1NC(=[NH2+])N1CCN(C)CC1 ZINC001168736889 748479124 /nfs/dbraw/zinc/47/91/24/748479124.db2.gz MDSXDSAJFDVDAG-UHFFFAOYSA-N 1 0 307.354 1.506 20 5 DDBDRO O=C(NCC1=CC[N@H+](CC2CCCCC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001000674254 762078961 /nfs/dbraw/zinc/07/89/61/762078961.db2.gz MZSZNKXBKCRUOS-HZPDHXFCSA-N 1 0 321.421 1.980 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(-n2nnc(-c3cccc(C[NH3+])c3)n2)n1 ZINC001168885082 762106715 /nfs/dbraw/zinc/10/67/15/762106715.db2.gz RPYFFUZOGHUTGQ-UHFFFAOYSA-N 1 0 311.305 1.400 20 5 DDBDRO CCn1c(=O)ccc2c1CC[C@@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001168960167 762155106 /nfs/dbraw/zinc/15/51/06/762155106.db2.gz DJANCSSMDWLNJU-VHDGCEQUSA-N 1 0 319.405 1.761 20 5 DDBDRO CN(Cc1ccccc1)C(=O)C[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168966493 762157390 /nfs/dbraw/zinc/15/73/90/762157390.db2.gz IOWHUBFOCHYKGQ-GJZGRUSLSA-N 1 0 305.378 1.680 20 5 DDBDRO CC(C)(C)OC(=O)NCCC[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168963164 762157654 /nfs/dbraw/zinc/15/76/54/762157654.db2.gz OFDALXJYLBWOGC-VXGBXAGGSA-N 1 0 301.387 1.936 20 5 DDBDRO O=C(c1ccco1)N1C[C@@H]2C[C@]2([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168964157 762157663 /nfs/dbraw/zinc/15/76/63/762157663.db2.gz RDHAJNZGBYERCS-QCQGSNGOSA-N 1 0 319.361 1.529 20 5 DDBDRO O=C(N1CCCC1)N1CCC([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168968074 762158438 /nfs/dbraw/zinc/15/84/38/762158438.db2.gz VGIMVFPXZKRMEW-ZFWWWQNUSA-N 1 0 324.425 1.702 20 5 DDBDRO COC(=O)[C@H](C[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccccc1 ZINC001169006302 762174006 /nfs/dbraw/zinc/17/40/06/762174006.db2.gz XEMYOWHNMRRBIY-NWANDNLSSA-N 1 0 306.362 1.978 20 5 DDBDRO CC(=O)N1CCCC[C@]12CC[N@@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169030352 762186546 /nfs/dbraw/zinc/18/65/46/762186546.db2.gz YYQFHTZRXZOLFS-BZUAXINKSA-N 1 0 309.410 1.909 20 5 DDBDRO Cc1ccc(N2CC[NH+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)nc1 ZINC001169037236 762192585 /nfs/dbraw/zinc/19/25/85/762192585.db2.gz RGWNCWDKZKFRIK-LSDHHAIUSA-N 1 0 304.394 1.957 20 5 DDBDRO O=C(NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1nccs1 ZINC001169041489 762195720 /nfs/dbraw/zinc/19/57/20/762195720.db2.gz LYQYBWBZVUIDSM-UHFFFAOYSA-N 1 0 320.374 1.961 20 5 DDBDRO O=C(N[C@@H]1CCC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1)N1CCCC1 ZINC001169052077 762206798 /nfs/dbraw/zinc/20/67/98/762206798.db2.gz FXEDJRAZTCIFLJ-RBSFLKMASA-N 1 0 324.425 1.702 20 5 DDBDRO Cc1cnc(N2CC[NH+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)nc1 ZINC001169048646 762206026 /nfs/dbraw/zinc/20/60/26/762206026.db2.gz AGPCUPOTNFPNKJ-ZIAGYGMSSA-N 1 0 305.382 1.352 20 5 DDBDRO COC(=O)c1cnc2c(c1)C[N@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169055913 762210012 /nfs/dbraw/zinc/21/00/12/762210012.db2.gz RFGKWGUWYYRBGX-BXUZGUMPSA-N 1 0 319.361 1.672 20 5 DDBDRO Cc1cc(N([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C2CC[NH2+]CC2)ncn1 ZINC001169057619 762211153 /nfs/dbraw/zinc/21/11/53/762211153.db2.gz WIVMQRWRVFBZMW-HIFRSBDPSA-N 1 0 319.409 1.789 20 5 DDBDRO C[NH2+]C[C@@H](C)CNC(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC001118844467 756751743 /nfs/dbraw/zinc/75/17/43/756751743.db2.gz IRYVDQRAGNUQME-SECBINFHSA-N 1 0 317.292 1.538 20 5 DDBDRO CCC(CC)C(=O)NCCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001154828991 759327362 /nfs/dbraw/zinc/32/73/62/759327362.db2.gz KQPXUBUOZMDUFI-UHFFFAOYSA-N 1 0 311.386 1.360 20 5 DDBDRO CC(C)[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])cc2C1 ZINC001054265140 759370370 /nfs/dbraw/zinc/37/03/70/759370370.db2.gz FVIXZFYCKSGEHG-HUUCEWRRSA-N 1 0 303.362 1.692 20 5 DDBDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000826882881 759425309 /nfs/dbraw/zinc/42/53/09/759425309.db2.gz PEURJGHBUGAAJP-UMVBOHGHSA-N 1 0 321.377 1.617 20 5 DDBDRO Cc1ccccc1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001020139349 760614246 /nfs/dbraw/zinc/61/42/46/760614246.db2.gz YTOATNKYRIBZPS-KBUPBQIOSA-N 1 0 303.362 1.397 20 5 DDBDRO O=C(NC[C@H]1C[C@H]([NH2+]CCc2ccccc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001086363442 761493204 /nfs/dbraw/zinc/49/32/04/761493204.db2.gz UVNLJVZISLZWNM-KLHDSHLOSA-N 1 0 317.389 1.379 20 5 DDBDRO CCOC(=O)c1ccc(N[C@@H](C)[C@@H]2C[NH2+]CCO2)c([N+](=O)[O-])c1 ZINC001170569513 768182778 /nfs/dbraw/zinc/18/27/78/768182778.db2.gz JFTJYBKFDQGVKH-HZMBPMFUSA-N 1 0 323.349 1.560 20 5 DDBDRO COc1ccc(C[C@H](C)[NH2+]CC(C)(C)C(N)=O)c([N+](=O)[O-])c1 ZINC001170310490 766243434 /nfs/dbraw/zinc/24/34/34/766243434.db2.gz WYTLAANYRFHKPS-JTQLQIEISA-N 1 0 309.366 1.636 20 5 DDBDRO COc1ccc(C[C@@H](C)[N@@H+]2CCOC[C@@](C)(O)C2)c([N+](=O)[O-])c1 ZINC001170335728 766257762 /nfs/dbraw/zinc/25/77/62/766257762.db2.gz QPIBKPMOHIEPAV-WBMJQRKESA-N 1 0 324.377 1.618 20 5 DDBDRO COc1ccc(C[C@@H](C)[NH2+][C@@H]2CCNC(=O)C2)c([N+](=O)[O-])c1 ZINC001170309425 766259341 /nfs/dbraw/zinc/25/93/41/766259341.db2.gz QGVCKRWBLQTFCB-ZYHUDNBSSA-N 1 0 307.350 1.403 20 5 DDBDRO CCn1c(C[N+](=O)[O-])nnc1N(C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC001121698269 782631704 /nfs/dbraw/zinc/63/17/04/782631704.db2.gz FMIPUTPRBXVRJO-VXGBXAGGSA-N 1 0 310.402 1.241 20 5 DDBDRO CCn1c(C[N+](=O)[O-])nnc1N(C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC001121698266 782632125 /nfs/dbraw/zinc/63/21/25/782632125.db2.gz FMIPUTPRBXVRJO-NEPJUHHUSA-N 1 0 310.402 1.241 20 5 DDBDRO Cc1ncc(C(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)n1C ZINC001132893732 769296098 /nfs/dbraw/zinc/29/60/98/769296098.db2.gz YNXMGJSQTZHULK-UHFFFAOYSA-N 1 0 323.378 1.218 20 5 DDBDRO CCC(=O)N1C[C@@H]2C[N@@H+](Cc3cccc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC001048630498 769592838 /nfs/dbraw/zinc/59/28/38/769592838.db2.gz HHOHBVNUTZPPMK-OKILXGFUSA-N 1 0 303.362 1.895 20 5 DDBDRO Cc1ccc2c(ccnc2N[C@@H]2C[NH2+]C[C@H]2CO)c1[N+](=O)[O-] ZINC001170776999 771206297 /nfs/dbraw/zinc/20/62/97/771206297.db2.gz QHEYDEXLXFNXBJ-GXFFZTMASA-N 1 0 302.334 1.444 20 5 DDBDRO CC[C@]([NH3+])(CO)NC(F)(F)c1cc([N+](=O)[O-])cnc1Cl ZINC001159743940 771916334 /nfs/dbraw/zinc/91/63/34/771916334.db2.gz OEOHYPFZKOOHSD-SECBINFHSA-N 1 0 310.688 1.339 20 5 DDBDRO C[NH+](C)CCC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2N)CC1 ZINC001136652477 772067935 /nfs/dbraw/zinc/06/79/35/772067935.db2.gz SWTBEJQGAVSZPC-UHFFFAOYSA-N 1 0 320.393 1.981 20 5 DDBDRO COc1cnc(N[C@H]2CC[NH2+]C[C@H]2C(F)(F)F)c([N+](=O)[O-])c1 ZINC001160743755 772693304 /nfs/dbraw/zinc/69/33/04/772693304.db2.gz YBXXXIWUMBSQRZ-BDAKNGLRSA-N 1 0 320.271 1.951 20 5 DDBDRO Cc1conc1C(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001146834482 772960701 /nfs/dbraw/zinc/96/07/01/772960701.db2.gz WETDAEPNEISVIC-UHFFFAOYSA-N 1 0 304.306 1.411 20 5 DDBDRO CN(CCNC(=O)C[NH+]1CCCC1)c1cccc(F)c1[N+](=O)[O-] ZINC001100115177 775698711 /nfs/dbraw/zinc/69/87/11/775698711.db2.gz ATRDKCRYAGUCSF-UHFFFAOYSA-N 1 0 324.356 1.382 20 5 DDBDRO Cc1nc(N(C)CCNC(=O)CCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC001100286501 775940686 /nfs/dbraw/zinc/94/06/86/775940686.db2.gz AXSNVDSVVAMDEC-UHFFFAOYSA-N 1 0 323.397 1.192 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1C[C@H](CO)[C@H](O)C1)CC2 ZINC001172905989 776916722 /nfs/dbraw/zinc/91/67/22/776916722.db2.gz VYWFWNLHZXMGFN-IIAWOOMASA-N 1 0 306.362 1.127 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+][C@]1(CO)CCOC1)CC2 ZINC001172906264 776916972 /nfs/dbraw/zinc/91/69/72/776916972.db2.gz NJBVAVYIWWGRLU-HOCLYGCPSA-N 1 0 306.362 1.583 20 5 DDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](O)[C@@](C)(CO)C1 ZINC001173222729 777056270 /nfs/dbraw/zinc/05/62/70/777056270.db2.gz UZRGCJRGYOHNDL-DAXOMENPSA-N 1 0 308.378 1.591 20 5 DDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC001116009680 780467501 /nfs/dbraw/zinc/46/75/01/780467501.db2.gz OSYZHQCKEPXUBH-GFCCVEGCSA-N 1 0 318.377 1.851 20 5 DDBDRO CCC[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1c(C)noc1C ZINC001266560239 836469024 /nfs/dbraw/zinc/46/90/24/836469024.db2.gz FLYWNMRNPCSUCZ-TZMCWYRMSA-N 1 0 324.381 1.285 20 5 DDBDRO Cc1ncsc1C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCC1 ZINC001273084128 847886584 /nfs/dbraw/zinc/88/65/84/847886584.db2.gz CKKOOOVABMVORU-GHMZBOCLSA-N 1 0 324.406 1.245 20 5 DDBDRO CCCOCC(=O)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001155402192 862045627 /nfs/dbraw/zinc/04/56/27/862045627.db2.gz LAYJKYCKHOEMBN-UHFFFAOYSA-N 1 0 309.366 1.617 20 5 DDBDRO Cc1ncc([N+](=O)[O-])c(NCC[C@H]2C[NH2+]Cc3cccn3C2)n1 ZINC001155452597 862103405 /nfs/dbraw/zinc/10/34/05/862103405.db2.gz BODMENDWLOLEKK-LBPRGKRZSA-N 1 0 316.365 1.716 20 5 DDBDRO O=[N+]([O-])c1ccc2ncnc(N[C@H]3COCCC34C[NH2+]C4)c2c1 ZINC001155460866 862112032 /nfs/dbraw/zinc/11/20/32/862112032.db2.gz CLHCWSXXPNJYFZ-ZDUSSCGKSA-N 1 0 315.333 1.328 20 5 DDBDRO O=[N+]([O-])c1cnc(NC[C@@H]2OC[C@H]3C[NH2+]CC[C@H]32)c(Cl)c1 ZINC001155514098 862178805 /nfs/dbraw/zinc/17/88/05/862178805.db2.gz BRPKBWZGWOOBKD-UISBYWKRSA-N 1 0 312.757 1.680 20 5 DDBDRO Cc1cncc(C[N@@H+](C)CCCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC001273507994 851040896 /nfs/dbraw/zinc/04/08/96/851040896.db2.gz RSDYWAARHASIPW-HUUCEWRRSA-N 1 0 320.393 1.336 20 5 DDBDRO Nc1nc(NC[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)ccc1[N+](=O)[O-] ZINC001155595354 862272405 /nfs/dbraw/zinc/27/24/05/862272405.db2.gz CGTSKFFXUJSARD-YGRLFVJLSA-N 1 0 307.354 1.143 20 5 DDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CC[N@H+](CCC1CCCC1)C2 ZINC001072725590 857641759 /nfs/dbraw/zinc/64/17/59/857641759.db2.gz PUKVHAHMNZVLBX-HUUCEWRRSA-N 1 0 321.421 1.766 20 5 DDBDRO O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001122304546 858745176 /nfs/dbraw/zinc/74/51/76/858745176.db2.gz GJWHTCNGAGMJKY-VHSXEESVSA-N 1 0 319.317 1.005 20 5 DDBDRO Cc1ccc(C(=O)N[C@@H]2CC[C@H]3C[N@@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC001124088468 859571896 /nfs/dbraw/zinc/57/18/96/859571896.db2.gz UWTJSHZIGRYCQP-MELADBBJSA-N 1 0 303.362 1.973 20 5 DDBDRO CC[N@H+](CCNC(=O)Nc1c(C)cncc1[N+](=O)[O-])C1CC1 ZINC001203061058 860685861 /nfs/dbraw/zinc/68/58/61/860685861.db2.gz NHVPDWVOAAMZAD-UHFFFAOYSA-N 1 0 307.354 1.326 20 5 DDBDRO C[NH+]1CCC2(CCN(c3cc(N)c([N+](=O)[O-])cn3)CC2)CC1 ZINC001156576558 863159519 /nfs/dbraw/zinc/15/95/19/863159519.db2.gz PJETZYWEKGZXLB-UHFFFAOYSA-N 1 0 305.382 1.884 20 5 DDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC001329522554 863710881 /nfs/dbraw/zinc/71/08/81/863710881.db2.gz YPESFLHSIBKPAJ-MRXNPFEDSA-N 1 0 318.377 1.852 20 5 DDBDRO [NH3+][C@H]1CN(C(=O)c2ccnc3c2ccc2cccnc23)C[C@H]1F ZINC001157559405 863923399 /nfs/dbraw/zinc/92/33/99/863923399.db2.gz FXDHMFUNHUFOGA-KGLIPLIRSA-N 1 0 310.332 1.904 20 5 DDBDRO COc1cc2ncnc(-n3ccnc3C(N)=[NH2+])c2cc1[N+](=O)[O-] ZINC001157622548 863983190 /nfs/dbraw/zinc/98/31/90/863983190.db2.gz HMKNXJDHWKRZMO-UHFFFAOYSA-N 1 0 313.277 1.016 20 5 DDBDRO Cc1ccc(C[NH2+]CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c(C)c1 ZINC001157767541 864118379 /nfs/dbraw/zinc/11/83/79/864118379.db2.gz PXMYUFFUMJBDFJ-HUUCEWRRSA-N 1 0 305.378 1.565 20 5 DDBDRO Cc1nc(Cl)nc(-n2cc3c(n2)CC[C@@H]([NH3+])C3)c1[N+](=O)[O-] ZINC001157978959 864324884 /nfs/dbraw/zinc/32/48/84/864324884.db2.gz ABGFCYOMOCWUDU-MRVPVSSYSA-N 1 0 308.729 1.348 20 5 DDBDRO [NH3+][C@@H](CO)Cc1cncn1-c1ccc2ccc([N+](=O)[O-])cc2n1 ZINC001158203919 864486551 /nfs/dbraw/zinc/48/65/51/864486551.db2.gz JNJZSDXWAIWFGH-LLVKDONJSA-N 1 0 313.317 1.191 20 5 DDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@@H](CO)CC(F)(F)F)C2)c1 ZINC001330619441 864491408 /nfs/dbraw/zinc/49/14/08/864491408.db2.gz OIQVDZIUPBDMHU-QJAFJHJLSA-N 1 0 308.260 1.398 20 5 DDBDRO Cc1ccnc(N2CCO[C@H](C[NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC001158304877 864558755 /nfs/dbraw/zinc/55/87/55/864558755.db2.gz OHTDXPFTPXLZQO-CYBMUJFWSA-N 1 0 306.366 1.599 20 5 DDBDRO C[NH+](C)CCONC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001331184464 864928861 /nfs/dbraw/zinc/92/88/61/864928861.db2.gz LZLQQKZZOPSRCQ-UHFFFAOYSA-N 1 0 319.321 1.208 20 5 DDBDRO O=[N+]([O-])c1cnc(NCCc2cncs2)nc1C1C[NH2+]C1 ZINC001158887064 864958129 /nfs/dbraw/zinc/95/81/29/864958129.db2.gz FWQBAFZUWXDOCQ-UHFFFAOYSA-N 1 0 306.351 1.183 20 5 DDBDRO CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001331690848 865249023 /nfs/dbraw/zinc/24/90/23/865249023.db2.gz CQSKBSFUMLZSAZ-ZIAGYGMSSA-N 1 0 303.362 1.853 20 5 DDBDRO CC[C@]([NH3+])(CO)Nc1ccc(-c2ccccc2[N+](=O)[O-])nn1 ZINC001159748567 865499520 /nfs/dbraw/zinc/49/95/20/865499520.db2.gz REHHXKIGYHURHO-CQSZACIVSA-N 1 0 303.322 1.521 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC001332110106 865582943 /nfs/dbraw/zinc/58/29/43/865582943.db2.gz FXHQHPJYHKIGRP-JTQLQIEISA-N 1 0 313.304 1.878 20 5 DDBDRO Cn1cc(COC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)c([N+](=O)[O-])n1 ZINC001332271090 865713005 /nfs/dbraw/zinc/71/30/05/865713005.db2.gz QXDMZYAZBWVLDW-CYBMUJFWSA-N 1 0 322.365 1.779 20 5 DDBDRO Nc1cc(CCCCNC(=O)c2ccc([N+](=O)[O-])cn2)cc[nH+]1 ZINC001160244173 865743815 /nfs/dbraw/zinc/74/38/15/865743815.db2.gz LSQXTCBRQIRPKX-UHFFFAOYSA-N 1 0 315.333 1.720 20 5 DDBDRO CC[NH+](CC)C1CCN(C(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC001319768268 866279434 /nfs/dbraw/zinc/27/94/34/866279434.db2.gz VXNKWYRLPKXXLV-UHFFFAOYSA-N 1 0 309.370 1.275 20 5 DDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC001320210969 866560434 /nfs/dbraw/zinc/56/04/34/866560434.db2.gz WWLHMSBHVZUTGI-LLVKDONJSA-N 1 0 306.366 1.660 20 5 DDBDRO COc1nc(N2CCC([NH3+])(CC3CCC3)CC2)ncc1[N+](=O)[O-] ZINC001161570069 866775277 /nfs/dbraw/zinc/77/52/77/866775277.db2.gz UZQOFTQKVYBURB-UHFFFAOYSA-N 1 0 321.381 1.881 20 5 DDBDRO [NH3+]C1CCN(CCNc2cnc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC001161867273 867047222 /nfs/dbraw/zinc/04/72/22/867047222.db2.gz MZPDJCCMOQSKJJ-UHFFFAOYSA-N 1 0 316.365 1.373 20 5 DDBDRO COC(=O)c1nc(Cl)nc(N[C@H]2C[C@@](C)([NH3+])C2)c1[N+](=O)[O-] ZINC001162324829 867453374 /nfs/dbraw/zinc/45/33/74/867453374.db2.gz IIXLQMSQYHJNLR-KMXNSFKFSA-N 1 0 315.717 1.117 20 5 DDBDRO COc1nc(C)nc(NC[C@H]2CCC[NH2+]C[C@H]2C)c1[N+](=O)[O-] ZINC001162456863 867547713 /nfs/dbraw/zinc/54/77/13/867547713.db2.gz ZLADNJACCMHLJX-MWLCHTKSSA-N 1 0 309.370 1.749 20 5 DDBDRO CCOC(=O)COc1ncc(N[C@@H]2CC[NH2+][C@@H]2C)cc1[N+](=O)[O-] ZINC001162677278 867717958 /nfs/dbraw/zinc/71/79/58/867717958.db2.gz FBFUUXGPBVYIOP-MWLCHTKSSA-N 1 0 324.337 1.094 20 5 DDBDRO Cc1c[n+]([O-])c(N2C[C@H]([NH3+])Cc3ccccc32)cc1[N+](=O)[O-] ZINC001162845393 867863691 /nfs/dbraw/zinc/86/36/91/867863691.db2.gz TZFIAMWBPZUCGV-GFCCVEGCSA-N 1 0 300.318 1.558 20 5 DDBDRO [NH3+][C@@H]1Cc2ccccc2N(c2cc([N+](=O)[O-])c3nncn3c2)C1 ZINC001162853897 867875758 /nfs/dbraw/zinc/87/57/58/867875758.db2.gz OHGZFUZTVDMYTC-LLVKDONJSA-N 1 0 310.317 1.659 20 5 DDBDRO O=C(NC1CCC([NH+]2CCCCC2)CC1)c1c[nH]nc1[N+](=O)[O-] ZINC001325255482 867890996 /nfs/dbraw/zinc/89/09/96/867890996.db2.gz KHNPOBLJTZTWMZ-UHFFFAOYSA-N 1 0 321.381 1.845 20 5 DDBDRO CN(CCC[NH+](C)C)c1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC001334972510 867961577 /nfs/dbraw/zinc/96/15/77/867961577.db2.gz IUBFIHFQSNHUNO-UHFFFAOYSA-N 1 0 318.377 1.835 20 5 DDBDRO Nc1cc([N+](=O)[O-])cnc1Nc1ccc([C@H](C[NH3+])CO)cc1 ZINC001163053781 868041916 /nfs/dbraw/zinc/04/19/16/868041916.db2.gz UTGQENXYDSJTFC-SNVBAGLBSA-N 1 0 303.322 1.350 20 5 DDBDRO O=[N+]([O-])c1cncc(Cl)c1NCC[C@@H]1CCOC12C[NH2+]C2 ZINC001163095881 868088138 /nfs/dbraw/zinc/08/81/38/868088138.db2.gz XXMMJXGXKREACZ-SECBINFHSA-N 1 0 312.757 1.246 20 5 DDBDRO COc1ccc([N+](=O)[O-])nc1NCc1noc2c1C[NH2+]CC2 ZINC001163131331 868139247 /nfs/dbraw/zinc/13/92/47/868139247.db2.gz BJAAYTSATWNUMQ-UHFFFAOYSA-N 1 0 305.294 1.244 20 5 DDBDRO CN1CCc2c(NC[C@@]34C[NH2+][C@@H](CO3)C4)ccc([N+](=O)[O-])c2C1 ZINC001163204177 868212817 /nfs/dbraw/zinc/21/28/17/868212817.db2.gz XEGBCXJNBMGDRL-BDJLRTHQSA-N 1 0 318.377 1.126 20 5 DDBDRO CC1(c2nc(CCNc3ccccc3[N+](=O)[O-])no2)C[NH2+]C1 ZINC001325665074 868227949 /nfs/dbraw/zinc/22/79/49/868227949.db2.gz AYWLJQMBVQBWLV-UHFFFAOYSA-N 1 0 303.322 1.493 20 5 DDBDRO CN1CC[C@@H](C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1=O ZINC001335353911 868243965 /nfs/dbraw/zinc/24/39/65/868243965.db2.gz VMSJKWJWMMKQTI-BXUZGUMPSA-N 1 0 307.350 1.086 20 5 DDBDRO COc1ccc([N+](=O)[O-])nc1NC[C@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001163278661 868302578 /nfs/dbraw/zinc/30/25/78/868302578.db2.gz IJWNAYFQAJMPMG-NHYWBVRUSA-N 1 0 322.365 1.569 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(NC[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)n1 ZINC001163279751 868304995 /nfs/dbraw/zinc/30/49/95/868304995.db2.gz OEAOPRSPWUWTLF-SWLSCSKDSA-N 1 0 306.366 1.869 20 5 DDBDRO COc1nc(C)c([N+](=O)[O-])c(N[C@H](C[NH3+])c2ccccc2)n1 ZINC001163294723 868318224 /nfs/dbraw/zinc/31/82/24/868318224.db2.gz ZAUQHQGXRSBOBT-LLVKDONJSA-N 1 0 303.322 1.814 20 5 DDBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC001335565332 868388214 /nfs/dbraw/zinc/38/82/14/868388214.db2.gz HYCRISVRUHFJHN-UONOGXRCSA-N 1 0 306.366 1.334 20 5 DDBDRO [NH3+][C@H]1CN(C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)C[C@@H]1F ZINC001165116963 869384317 /nfs/dbraw/zinc/38/43/17/869384317.db2.gz LIQYIWXYVPGDBS-YUMQZZPRSA-N 1 0 310.663 1.674 20 5 DDBDRO O=[N+]([O-])c1ccc2c(ccnc2N2C[C@H]3C[NH2+]C[C@@]3(CO)C2)c1 ZINC001165283978 869492430 /nfs/dbraw/zinc/49/24/30/869492430.db2.gz ICZXYOQZBDGTJI-WBMJQRKESA-N 1 0 314.345 1.161 20 5 DDBDRO O=[N+]([O-])c1cc(Cl)c(Cl)nc1N1CCOCC12C[NH2+]C2 ZINC001165286398 869495899 /nfs/dbraw/zinc/49/58/99/869495899.db2.gz PQGBQGKGHLGPGB-UHFFFAOYSA-N 1 0 319.148 1.475 20 5 DDBDRO C[C@@H](c1nnc(N2CCC[C@H]([NH+]3CCCC3)C2)n1C)[N+](=O)[O-] ZINC001338059377 869773274 /nfs/dbraw/zinc/77/32/74/869773274.db2.gz ZCSWWNGQAGVZIG-RYUDHWBXSA-N 1 0 308.386 1.217 20 5 DDBDRO C[N@@H+]1C[C@@H]2CC[C@@H](Nc3ccc4nonc4c3[N+](=O)[O-])[C@@H]2C1 ZINC001338298785 869909729 /nfs/dbraw/zinc/90/97/29/869909729.db2.gz WFESJUUPYXEGOR-IVZWLZJFSA-N 1 0 303.322 1.883 20 5 DDBDRO CC[N@@H+]1CC[C@@H](Oc2c(OC)cc(C(=O)OC)cc2[N+](=O)[O-])C1 ZINC001226360221 882383207 /nfs/dbraw/zinc/38/32/07/882383207.db2.gz CGIZYUQCPBZPOL-LLVKDONJSA-N 1 0 324.333 1.863 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2CC[C@H]3C[N@H+](C)C[C@@H]32)n1 ZINC001339997509 870829231 /nfs/dbraw/zinc/82/92/31/870829231.db2.gz CPOXNOCVLVEBJF-GARJFASQSA-N 1 0 320.349 1.529 20 5 DDBDRO C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CCc2cc(C)c([N+](=O)[O-])cc21 ZINC001340427880 871098946 /nfs/dbraw/zinc/09/89/46/871098946.db2.gz DQIQVRQXNISNKT-HZMBPMFUSA-N 1 0 307.350 1.009 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CCN1CCc2[nH+]ccc(N)c2C1 ZINC001308015846 871461384 /nfs/dbraw/zinc/46/13/84/871461384.db2.gz JUQHALWQYAECOO-UHFFFAOYSA-N 1 0 302.338 1.135 20 5 DDBDRO CN(C)C(=O)[C@H]1CCC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001308109347 871472235 /nfs/dbraw/zinc/47/22/35/871472235.db2.gz VMMLXNVERUDWHG-DZGCQCFKSA-N 1 0 321.377 1.428 20 5 DDBDRO CCc1nc(C)c(C[N@H+](C)CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])o1 ZINC001316823370 872119860 /nfs/dbraw/zinc/11/98/60/872119860.db2.gz IXFISYOARGCODY-VXGBXAGGSA-N 1 0 324.381 1.149 20 5 DDBDRO O=C([C@@H]1[NH2+]CC12CCCC2)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001343097726 872498828 /nfs/dbraw/zinc/49/88/28/872498828.db2.gz HRAQLDSQDKRQEY-AWEZNQCLSA-N 1 0 301.346 1.969 20 5 DDBDRO CN(CC(=O)N[C@]12CCC[C@H]1C[NH2+]C2)c1ccccc1[N+](=O)[O-] ZINC001343234880 872547668 /nfs/dbraw/zinc/54/76/68/872547668.db2.gz QCJIBPLXBIKJIH-LRDDRELGSA-N 1 0 318.377 1.289 20 5 DDBDRO C[C@H]1CN(C(=O)COc2cccc([N+](=O)[O-])c2)CC[C@@H]1C[NH3+] ZINC001345011690 873220570 /nfs/dbraw/zinc/22/05/70/873220570.db2.gz OCMNWNBGDNYXOG-NWDGAFQWSA-N 1 0 307.350 1.417 20 5 DDBDRO COc1ccc2ncc([N+](=O)[O-])c(N3C[C@H]4C[NH2+]C[C@H]4C3)c2c1 ZINC001349971271 875481535 /nfs/dbraw/zinc/48/15/35/875481535.db2.gz OFDXYCBXYLCTQX-PHIMTYICSA-N 1 0 314.345 1.807 20 5 DDBDRO Cc1cncc([N+](=O)[O-])c1NC(=O)NCC[N@@H+]1CCC(C)(C)C1 ZINC001216486487 876955271 /nfs/dbraw/zinc/95/52/71/876955271.db2.gz SIBMZKXVAYYSQN-UHFFFAOYSA-N 1 0 321.381 1.574 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1C[C@@H](C)OC[C@@H]1C[C@H]2CC[NH2+]C[C@@H]2O1 ZINC001217872991 877344963 /nfs/dbraw/zinc/34/49/63/877344963.db2.gz VZBDIXRHIAKZMR-ZZVYKPCYSA-N 1 0 324.381 1.272 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1C[C@@H](C)OC[C@H]1C[C@@H]2CC[NH2+]C[C@@H]2O1 ZINC001217872985 877346333 /nfs/dbraw/zinc/34/63/33/877346333.db2.gz VZBDIXRHIAKZMR-CABNGKKXSA-N 1 0 324.381 1.272 20 5 DDBDRO C[C@@H](NC(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC001353467381 877353161 /nfs/dbraw/zinc/35/31/61/877353161.db2.gz NEJCUJWXSBSLKU-KWCYVHTRSA-N 1 0 318.377 1.907 20 5 DDBDRO O=C(N[C@]12CCC[C@H]1C[NH2+]C2)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001355730105 878693965 /nfs/dbraw/zinc/69/39/65/878693965.db2.gz MLIBLPCJNFTSQM-QEWYBTABSA-N 1 0 315.373 1.957 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H]1COC2(C[NH2+]C2)C1 ZINC001357845983 880225925 /nfs/dbraw/zinc/22/59/25/880225925.db2.gz JCARYIODZTUGQZ-LLVKDONJSA-N 1 0 305.334 1.072 20 5 DDBDRO C[C@@H]1C[NH2+]C[C@H]1CNC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001358070159 880314049 /nfs/dbraw/zinc/31/40/49/880314049.db2.gz HTGSPMOEDLXQQV-DZGBDDFRSA-N 1 0 303.362 1.670 20 5 DDBDRO COc1cccc(COC(=O)C[C@@H](O)C[N+](C)(C)C)c1OC ZINC001222841868 880719430 /nfs/dbraw/zinc/71/94/30/880719430.db2.gz JBGGASUIBWNSTJ-CYBMUJFWSA-N 1 0 312.386 1.204 20 5 DDBDRO Cn1c(COC(=O)C[C@@H](O)C[N+](C)(C)C)nc2ccccc21 ZINC001223354734 880928575 /nfs/dbraw/zinc/92/85/75/880928575.db2.gz YEUZRKFZOYDUNA-GFCCVEGCSA-N 1 0 306.386 1.074 20 5 DDBDRO COc1ccc(CO[C@@H]2C[C@@H]3CC(=O)C[C@H]2[N@@H+]3C)c([N+](=O)[O-])c1 ZINC001223513747 880987383 /nfs/dbraw/zinc/98/73/83/880987383.db2.gz HBGHPJSKMYYGID-IUIKQTSFSA-N 1 0 320.345 1.924 20 5 DDBDRO COc1cc(CO[C@@H](C)C[N+](C)(C)C)c2c(c1OC)C(=O)OC2 ZINC001223616493 881028737 /nfs/dbraw/zinc/02/87/37/881028737.db2.gz ALKYRXRJPVQSLJ-NSHDSACASA-N 1 0 324.397 1.986 20 5 DDBDRO COC(=O)c1cccc(CO[C@@H]2C[NH+]3CCC2CC3)c1[N+](=O)[O-] ZINC001223663418 881049983 /nfs/dbraw/zinc/04/99/83/881049983.db2.gz WNSWPEUTCCIKPL-CQSZACIVSA-N 1 0 320.345 1.992 20 5 DDBDRO CNS(=O)(=O)c1ccc(CO[C@@H](C)C[N+](C)(C)C)cc1 ZINC001224000891 881180342 /nfs/dbraw/zinc/18/03/42/881180342.db2.gz HIQIFZPVSOCZEF-LBPRGKRZSA-N 1 0 301.432 1.206 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)OCCOc1ccc2c(c1)CCC2 ZINC001224302595 881316761 /nfs/dbraw/zinc/31/67/61/881316761.db2.gz OBTFWILPEXXSSL-MRXNPFEDSA-N 1 0 322.425 1.555 20 5 DDBDRO COC(=O)c1cccc(OCC[N@H+]2CC[C@@H](OC)C2)c1[N+](=O)[O-] ZINC001227897917 883220613 /nfs/dbraw/zinc/22/06/13/883220613.db2.gz VRPGPSCHCSAXCG-LLVKDONJSA-N 1 0 324.333 1.481 20 5 DDBDRO C[NH+]1CCC2(CC[C@@H](COc3ncncc3[N+](=O)[O-])O2)CC1 ZINC001228655526 883597023 /nfs/dbraw/zinc/59/70/23/883597023.db2.gz AGMQLVDEIYQWHQ-NSHDSACASA-N 1 0 308.338 1.407 20 5 DDBDRO COC(=O)c1cc(O[C@@H](C)C[NH+](C)C)c(F)cc1[N+](=O)[O-] ZINC001229944454 884243688 /nfs/dbraw/zinc/24/36/88/884243688.db2.gz YPYCHBHONGMMNP-QMMMGPOBSA-N 1 0 300.286 1.849 20 5 DDBDRO CCOCC(=O)NCCC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001231406391 885620573 /nfs/dbraw/zinc/62/05/73/885620573.db2.gz DYOAYLDORWAIRG-UHFFFAOYSA-N 1 0 309.366 1.569 20 5 DDBDRO COC(=O)c1cnc(O[C@@H]2CCC[N@H+](C)CC2)c([N+](=O)[O-])c1 ZINC001233860348 887397710 /nfs/dbraw/zinc/39/77/10/887397710.db2.gz ZVJOFZYBBHAOIP-LLVKDONJSA-N 1 0 309.322 1.640 20 5 DDBDRO C[N@@H+]1CCC[C@H](Oc2cc(N3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC001234359571 887905151 /nfs/dbraw/zinc/90/51/51/887905151.db2.gz HPPAAPYADBUSIH-AWEZNQCLSA-N 1 0 321.377 1.904 20 5 DDBDRO COC(=O)[C@H](C)c1ccccc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001234821829 888211071 /nfs/dbraw/zinc/21/10/71/888211071.db2.gz QEAYRCIMPRRMQK-CHWSQXEVSA-N 1 0 324.397 1.326 20 5 DDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001246616688 892738115 /nfs/dbraw/zinc/73/81/15/892738115.db2.gz CRRBIFUQMQNCCO-JQFCIGGWSA-N 1 0 318.421 1.552 20 5 DDBDRO C[NH+](C)[C@H]1C[C@@H](c2nc(-c3ncc(F)cc3[N+](=O)[O-])no2)C1 ZINC001249201956 893862945 /nfs/dbraw/zinc/86/29/45/893862945.db2.gz MOCDOOAYJRSVKD-OTSSQURYSA-N 1 0 307.285 1.987 20 5 DDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1C[C@@H](S(C)(=O)=O)C1 ZINC001254538080 896494440 /nfs/dbraw/zinc/49/44/40/896494440.db2.gz OLCLUILOAAKXLT-WCFLWFBJSA-N 1 0 312.391 1.691 20 5 DDBDRO C[C@]1(CO)CCC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC001254545138 896496094 /nfs/dbraw/zinc/49/60/94/896496094.db2.gz JEBJSZLTNZEBCX-CJNGLKHVSA-N 1 0 324.377 1.429 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H]2[C@H](C1)OCCN2C ZINC001254554552 896498505 /nfs/dbraw/zinc/49/85/05/896498505.db2.gz BOISKXGTLPDPLW-WQVCFCJDSA-N 1 0 305.378 1.541 20 5 DDBDRO COC(=O)C1(O)CC[NH+]([C@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001254567962 896505150 /nfs/dbraw/zinc/50/51/50/896505150.db2.gz DJLSOWYISSSWIN-GFCCVEGCSA-N 1 0 322.361 1.526 20 5 DDBDRO CC(=O)NCCCCC[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254582359 896516205 /nfs/dbraw/zinc/51/62/05/896516205.db2.gz SKWNIPINNYAIQP-OAHLLOKOSA-N 1 0 305.378 1.958 20 5 DDBDRO CC(=O)N1CC[C@@H](C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254587353 896517500 /nfs/dbraw/zinc/51/75/00/896517500.db2.gz PNKHEDXTNCTGNS-SWLSCSKDSA-N 1 0 303.362 1.520 20 5 DDBDRO CN(C)C(=O)C1([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCC1 ZINC001254588337 896518876 /nfs/dbraw/zinc/51/88/76/896518876.db2.gz DLBXKIYMASLWFF-ZDUSSCGKSA-N 1 0 303.362 1.663 20 5 DDBDRO O=C(CC[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1)N1CCCC1 ZINC001261297527 899454151 /nfs/dbraw/zinc/45/41/51/899454151.db2.gz DEAHPXDXSNICBS-UHFFFAOYSA-N 1 0 303.362 1.965 20 5 DDBDRO COc1c(O)ccc(C[NH2+][C@@H]2CCN(C3CC3)C2)c1[N+](=O)[O-] ZINC001262359575 900130985 /nfs/dbraw/zinc/13/09/85/900130985.db2.gz CUYOPGVTPKBBQU-LLVKDONJSA-N 1 0 307.350 1.635 20 5 DDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC001262725518 900337255 /nfs/dbraw/zinc/33/72/55/900337255.db2.gz YWPUOKDYXNPLGK-VZJVUDMVSA-N 1 0 318.377 1.707 20 5 DDBDRO Cc1ccc(CNC(=O)[C@H]2[NH2+]CC23CCOCC3)cc1[N+](=O)[O-] ZINC001263174645 900522954 /nfs/dbraw/zinc/52/29/54/900522954.db2.gz FLKZZKIIYQPWMK-CQSZACIVSA-N 1 0 319.361 1.288 20 5 DDBDRO Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CO2 ZINC000563529885 303958936 /nfs/dbraw/zinc/95/89/36/303958936.db2.gz KBGHUANIKFHOPT-TZMCWYRMSA-N 1 0 318.333 1.184 20 5 DDBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3C[C@@H](O)[C@@H](O)C3)o2)cc1 ZINC000278454282 214164503 /nfs/dbraw/zinc/16/45/03/214164503.db2.gz YNKBKAXCFLQEOA-OKILXGFUSA-N 1 0 304.302 1.392 20 5 DDBDRO CC1(C)[C@H]([NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@@H]1O ZINC000614582979 361928057 /nfs/dbraw/zinc/92/80/57/361928057.db2.gz HXSMQVDFXXLERY-KGLIPLIRSA-N 1 0 308.334 1.615 20 5 DDBDRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000614711817 361986039 /nfs/dbraw/zinc/98/60/39/361986039.db2.gz UJMOHEGAJBEKKJ-ZIAGYGMSSA-N 1 0 307.350 1.573 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)[C@@H](C)C(C)(C)O ZINC000451358756 231075594 /nfs/dbraw/zinc/07/55/94/231075594.db2.gz HBLJBFZDUFYVNF-NSHDSACASA-N 1 0 309.366 1.933 20 5 DDBDRO O=C1CC[C@H]([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CN1 ZINC000358130632 299083939 /nfs/dbraw/zinc/08/39/39/299083939.db2.gz MQXVOHSWIREYMH-KBPBESRZSA-N 1 0 303.362 1.784 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@]1(C)CCC(=O)N1 ZINC000453587505 231481399 /nfs/dbraw/zinc/48/13/99/231481399.db2.gz KACWFCVRGSXODQ-OAHLLOKOSA-N 1 0 307.350 1.752 20 5 DDBDRO CC(C)[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C1CCOCC1 ZINC000090554557 185303274 /nfs/dbraw/zinc/30/32/74/185303274.db2.gz JKQWTPZWLDWSLL-UHFFFAOYSA-N 1 0 309.366 1.646 20 5 DDBDRO C[NH+](C)C[C@H]1CN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)CCO1 ZINC000255880876 282283496 /nfs/dbraw/zinc/28/34/96/282283496.db2.gz RUSADUNWBDLOBQ-XHPSBEMXSA-N 1 0 319.361 1.397 20 5 DDBDRO COc1ccc(NC(=O)N2CCC[N@H+](C)CC2)cc1[N+](=O)[O-] ZINC000272779509 210182932 /nfs/dbraw/zinc/18/29/32/210182932.db2.gz DOHCMBVPEYDPGB-UHFFFAOYSA-N 1 0 308.338 1.773 20 5 DDBDRO C[NH2+]CC1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000422810335 529957315 /nfs/dbraw/zinc/95/73/15/529957315.db2.gz ROILGGUQGJVRDM-UHFFFAOYSA-N 1 0 305.378 1.904 20 5 DDBDRO C[NH2+]CCCN(C)C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000424027443 529963650 /nfs/dbraw/zinc/96/36/50/529963650.db2.gz BHTPHVVGVZTYFN-UHFFFAOYSA-N 1 0 308.382 1.855 20 5 DDBDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000422892130 529990418 /nfs/dbraw/zinc/99/04/18/529990418.db2.gz MHTJNZHLZHOVBB-LBPRGKRZSA-N 1 0 321.333 1.205 20 5 DDBDRO C[N@@H+]1CCC[C@@H](CCNC(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000459478465 530054571 /nfs/dbraw/zinc/05/45/71/530054571.db2.gz IROMDBQKDQRXBC-NSHDSACASA-N 1 0 307.354 1.265 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000235427491 201916368 /nfs/dbraw/zinc/91/63/68/201916368.db2.gz BYYPVWYBTPZERW-MNOVXSKESA-N 1 0 313.379 1.322 20 5 DDBDRO C[C@H](C(=O)NC[C@](C)(O)C[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000320158949 290819536 /nfs/dbraw/zinc/81/95/36/290819536.db2.gz HUSLGYJJHFGRMD-NHYWBVRUSA-N 1 0 309.366 1.127 20 5 DDBDRO C[C@@H]1COCC[C@H]1[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000277548841 213609699 /nfs/dbraw/zinc/60/96/99/213609699.db2.gz SPCJRWDVDVMZRU-FRRDWIJNSA-N 1 0 310.350 1.349 20 5 DDBDRO CC[C@@]1([NH2+]CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CCOC1 ZINC000616865527 362851561 /nfs/dbraw/zinc/85/15/61/362851561.db2.gz SZCLKYCNYXBWMH-MRXNPFEDSA-N 1 0 319.361 1.643 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[N@@H+](CCCO)Cc2ccccn2)n1 ZINC000287044123 219284697 /nfs/dbraw/zinc/28/46/97/219284697.db2.gz SZHSDJGHMWGMQQ-UHFFFAOYSA-N 1 0 305.338 1.071 20 5 DDBDRO CCC1([NH+](C)C)CCN(c2cc(N)c([N+](=O)[O-])c(CO)c2)CC1 ZINC000601229039 358456323 /nfs/dbraw/zinc/45/63/23/358456323.db2.gz CPSIWHNMWHTFQH-UHFFFAOYSA-N 1 0 322.409 1.980 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)CC(C)(C)O ZINC000265138641 186337292 /nfs/dbraw/zinc/33/72/92/186337292.db2.gz PMRITZNQWLLXMQ-UHFFFAOYSA-N 1 0 309.366 1.935 20 5 DDBDRO CC(C)C(=O)NC[C@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000265994985 186352489 /nfs/dbraw/zinc/35/24/89/186352489.db2.gz JJCVHGREOGODLL-CYBMUJFWSA-N 1 0 323.397 1.276 20 5 DDBDRO CCC1([NH+](C)C)CCN(C(=O)c2cc([N+](=O)[O-])cn2C)CC1 ZINC000601238214 358459295 /nfs/dbraw/zinc/45/92/95/358459295.db2.gz TTYOPZSCYYZTEW-UHFFFAOYSA-N 1 0 308.382 1.880 20 5 DDBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2C[NH2+]CCO2)c1 ZINC000564841362 304018120 /nfs/dbraw/zinc/01/81/20/304018120.db2.gz FXUMTBOAZYZUAM-VIFPVBQESA-N 1 0 311.363 1.035 20 5 DDBDRO COc1cc(C(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)ccc1[N+](=O)[O-] ZINC000564840626 304018337 /nfs/dbraw/zinc/01/83/37/304018337.db2.gz VLZOZNHONLWNBA-INIZCTEOSA-N 1 0 319.361 1.819 20 5 DDBDRO CCC[NH+]1CCC(Nc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000018058478 352166189 /nfs/dbraw/zinc/16/61/89/352166189.db2.gz AWZDINSJKSPBFY-UHFFFAOYSA-N 1 0 306.366 1.980 20 5 DDBDRO COCC[N@@H+]1CC[C@H](NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000491559810 234203038 /nfs/dbraw/zinc/20/30/38/234203038.db2.gz BJYCJJTYMZGVIA-ZBKLQPJUSA-N 1 0 319.361 1.445 20 5 DDBDRO C[C@@H](CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000063769291 352924368 /nfs/dbraw/zinc/92/43/68/352924368.db2.gz VOWXYFVELSNXKN-LBPRGKRZSA-N 1 0 308.382 1.853 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)C1CC[NH+](C(C)C)CC1 ZINC000065723107 352959565 /nfs/dbraw/zinc/95/95/65/352959565.db2.gz UIAWTTQFSKLUEZ-UHFFFAOYSA-N 1 0 323.397 1.431 20 5 DDBDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000277139571 213320874 /nfs/dbraw/zinc/32/08/74/213320874.db2.gz HIRJDLOSZUUOJJ-LLVKDONJSA-N 1 0 306.366 1.733 20 5 DDBDRO COc1ccc(CC(=O)NCC(C)(C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000069366112 353158758 /nfs/dbraw/zinc/15/87/58/353158758.db2.gz GTPPUISPLOOYDX-UHFFFAOYSA-N 1 0 323.393 1.850 20 5 DDBDRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000072731515 353213348 /nfs/dbraw/zinc/21/33/48/353213348.db2.gz QQBAUNRFDBXTPA-GFCCVEGCSA-N 1 0 306.366 1.727 20 5 DDBDRO COc1ccc(OCC[N@@H+]2CC[C@H](C)[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC000093344046 353898025 /nfs/dbraw/zinc/89/80/25/353898025.db2.gz WOZGRMFGWORLDC-FZMZJTMJSA-N 1 0 310.350 1.685 20 5 DDBDRO Cc1c(NC(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000332189678 234623710 /nfs/dbraw/zinc/62/37/10/234623710.db2.gz GBYYQYXKENEESB-NEPJUHHUSA-N 1 0 304.350 1.976 20 5 DDBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000139417929 354127848 /nfs/dbraw/zinc/12/78/48/354127848.db2.gz LAYWJMZDPGZJQN-CQSZACIVSA-N 1 0 321.381 1.400 20 5 DDBDRO CCc1ccc(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)s1 ZINC000231658188 354328435 /nfs/dbraw/zinc/32/84/35/354328435.db2.gz QGFWRZHNBIAUME-LLVKDONJSA-N 1 0 310.379 1.566 20 5 DDBDRO COc1cc(OCC(=O)N2CC[C@@H]([NH3+])C[C@H]2C)ccc1[N+](=O)[O-] ZINC000237225832 354340217 /nfs/dbraw/zinc/34/02/17/354340217.db2.gz YZEJGIGUDIBEQN-GHMZBOCLSA-N 1 0 323.349 1.320 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCC[C@H](CO)CC2)c1 ZINC000293114300 354454191 /nfs/dbraw/zinc/45/41/91/354454191.db2.gz LVKSBXOYNPTBIA-DZGCQCFKSA-N 1 0 324.377 1.429 20 5 DDBDRO COc1ccc(S(=O)(=O)N[C@@H](C)C[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000320451113 354527230 /nfs/dbraw/zinc/52/72/30/354527230.db2.gz CIIKCJRNCKDAQT-IUCAKERBSA-N 1 0 317.367 1.008 20 5 DDBDRO Cc1cccc(C(=O)N[C@@H](CO)C[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000588870009 354945232 /nfs/dbraw/zinc/94/52/32/354945232.db2.gz SELZEFAQCQORKN-GFCCVEGCSA-N 1 0 307.350 1.090 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(CN2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000589497171 354996719 /nfs/dbraw/zinc/99/67/19/354996719.db2.gz WELNLYITRPQUKG-CQSZACIVSA-N 1 0 321.377 1.907 20 5 DDBDRO COC(=O)c1ccnc(N[C@@H]2CC[N@@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000590582631 355120173 /nfs/dbraw/zinc/12/01/73/355120173.db2.gz BAINTBFDLMFLAY-SNVBAGLBSA-N 1 0 308.338 1.671 20 5 DDBDRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1c1ncc([N+](=O)[O-])cc1F ZINC000591155624 355256748 /nfs/dbraw/zinc/25/67/48/355256748.db2.gz SEIWNGBBKOLMSX-SNVBAGLBSA-N 1 0 312.345 1.410 20 5 DDBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N[C@H]1CCC[NH2+]CC1 ZINC000591356097 355298263 /nfs/dbraw/zinc/29/82/63/355298263.db2.gz HAYUQNSCJPJGTD-ZDUSSCGKSA-N 1 0 306.366 1.579 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000591677573 355360341 /nfs/dbraw/zinc/36/03/41/355360341.db2.gz MXNJRIVANKDDNT-NSHDSACASA-N 1 0 307.350 1.865 20 5 DDBDRO CN(CCC[NH3+])C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000591679064 355360974 /nfs/dbraw/zinc/36/09/74/355360974.db2.gz ORALFOQCHCXNCQ-UHFFFAOYSA-N 1 0 316.155 1.778 20 5 DDBDRO C[C@H]1C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC2(CCCC2)O1 ZINC000592196855 355533448 /nfs/dbraw/zinc/53/34/48/355533448.db2.gz ZBTSKBUMEQDYDC-GXTWGEPZSA-N 1 0 324.381 1.186 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C[C@H](O)C1CCC1 ZINC000592432738 355581874 /nfs/dbraw/zinc/58/18/74/355581874.db2.gz UQJLDWJYTIWONV-JSGCOSHPSA-N 1 0 310.350 1.085 20 5 DDBDRO Cn1cnc(CCC[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])n1 ZINC000592373222 355569427 /nfs/dbraw/zinc/56/94/27/355569427.db2.gz HFCSEVVILPHZHG-QPJJXVBHSA-N 1 0 301.350 1.959 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000592569897 355632560 /nfs/dbraw/zinc/63/25/60/355632560.db2.gz GNGXUWNMHHIFMF-GFCCVEGCSA-N 1 0 321.381 1.281 20 5 DDBDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593578989 355933253 /nfs/dbraw/zinc/93/32/53/355933253.db2.gz RQBUIIFUODOSOX-GHMZBOCLSA-N 1 0 309.341 1.827 20 5 DDBDRO COc1ccc(CNC(=O)[C@H]2CC[C@@H](C3CC3)[NH2+]2)cc1[N+](=O)[O-] ZINC000593903789 356050772 /nfs/dbraw/zinc/05/07/72/356050772.db2.gz NUKGNLIFXSCHSN-QWHCGFSZSA-N 1 0 319.361 1.750 20 5 DDBDRO CCO[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c(C)cc2C)C[C@H]1C[NH3+] ZINC000593916930 356059192 /nfs/dbraw/zinc/05/91/92/356059192.db2.gz RQPVPPMGJJXYSN-IUODEOHRSA-N 1 0 321.377 1.647 20 5 DDBDRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000594103042 356114093 /nfs/dbraw/zinc/11/40/93/356114093.db2.gz UGAZTKREBRDSSA-OTVXOJSOSA-N 1 0 305.378 1.984 20 5 DDBDRO CC(C)OC(=O)C[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)C(C)C ZINC000594041729 356097152 /nfs/dbraw/zinc/09/71/52/356097152.db2.gz POGXNJUCGGSGKL-GFCCVEGCSA-N 1 0 312.370 1.747 20 5 DDBDRO COC(=O)c1cc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)c(C)o1 ZINC000594607837 356264327 /nfs/dbraw/zinc/26/43/27/356264327.db2.gz GLSFOOKHZSEJBS-UHFFFAOYSA-N 1 0 308.294 1.269 20 5 DDBDRO O=C1C[C@@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CN1C1CC1 ZINC000594500370 356238715 /nfs/dbraw/zinc/23/87/15/356238715.db2.gz RSXYFIHHIBNKHZ-QMTHXVAHSA-N 1 0 301.346 1.935 20 5 DDBDRO COCCC1C[NH+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000594717714 356295437 /nfs/dbraw/zinc/29/54/37/356295437.db2.gz FIQQYTRVADHAHO-CQSZACIVSA-N 1 0 310.350 1.303 20 5 DDBDRO C[C@@]1(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1(F)F ZINC000594732741 356300486 /nfs/dbraw/zinc/30/04/86/356300486.db2.gz MPMCHYGBSPZXKS-GWCFXTLKSA-N 1 0 316.304 1.969 20 5 DDBDRO Cc1ccc([C@H](C)[NH2+]C[C@@]2(OCCO)CCOC2)cc1[N+](=O)[O-] ZINC000595078282 356379188 /nfs/dbraw/zinc/37/91/88/356379188.db2.gz OLYZNZJLIJNNSY-BBRMVZONSA-N 1 0 324.377 1.722 20 5 DDBDRO CN(CC[NH+](C)C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000081061199 192221193 /nfs/dbraw/zinc/22/11/93/192221193.db2.gz UYJKMAVWYCKTQY-UHFFFAOYSA-N 1 0 321.786 1.430 20 5 DDBDRO O=C(Cn1ccc([N+](=O)[O-])n1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000595222515 356411310 /nfs/dbraw/zinc/41/13/10/356411310.db2.gz KTHKIUKYQAPCBW-ZDUSSCGKSA-N 1 0 321.381 1.030 20 5 DDBDRO Cc1noc(CN2CC[NH+](C3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000595335693 356452673 /nfs/dbraw/zinc/45/26/73/356452673.db2.gz XEAUJYOCDNLRCV-UHFFFAOYSA-N 1 0 310.354 1.188 20 5 DDBDRO CCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000595353704 356460741 /nfs/dbraw/zinc/46/07/41/356460741.db2.gz JUMQQPUZCISXOA-LLVKDONJSA-N 1 0 313.379 1.357 20 5 DDBDRO CC(C)[N@H+](C)C[C@H](O)CN(C)CCc1ccccc1[N+](=O)[O-] ZINC000595484441 356512839 /nfs/dbraw/zinc/51/28/39/356512839.db2.gz LCKAYEZTTVMDEM-OAHLLOKOSA-N 1 0 309.410 1.770 20 5 DDBDRO Cc1noc(CN2CCC[C@H](C[NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000595474380 356507373 /nfs/dbraw/zinc/50/73/73/356507373.db2.gz DYWRQPBMIYIFKW-CYBMUJFWSA-N 1 0 324.381 1.435 20 5 DDBDRO CCOc1ccc(C(=O)NC[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000236906466 202063258 /nfs/dbraw/zinc/06/32/58/202063258.db2.gz HKVGYHHOGNQTDI-NSHDSACASA-N 1 0 307.350 1.723 20 5 DDBDRO O=C1CC[C@@H]2C[N@H+](CCOc3ccccc3[N+](=O)[O-])CC[C@H]2N1 ZINC000595736439 356628508 /nfs/dbraw/zinc/62/85/08/356628508.db2.gz GOECIWRFBOWWRU-CHWSQXEVSA-N 1 0 319.361 1.574 20 5 DDBDRO CN(C(=O)C[N@@H+]1C[C@@H]2COC[C@@]2(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000595756461 356638759 /nfs/dbraw/zinc/63/87/59/356638759.db2.gz GGPQELHCEMFEBK-MLGOLLRUSA-N 1 0 319.361 1.526 20 5 DDBDRO C[C@]12COC[C@@H]1C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C2 ZINC000595759904 356641024 /nfs/dbraw/zinc/64/10/24/356641024.db2.gz QVYOBNCNFLYFCW-LRDDRELGSA-N 1 0 319.361 1.892 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@H](C3CCC3)C2)c1 ZINC000595838735 356672791 /nfs/dbraw/zinc/67/27/91/356672791.db2.gz VHVLNKQLXHPJTC-DZGCQCFKSA-N 1 0 308.382 1.664 20 5 DDBDRO [NH3+][C@@H]1CN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC[C@H]1F ZINC000595905324 356699800 /nfs/dbraw/zinc/69/98/00/356699800.db2.gz BRCLYFBWWVYADL-MGPQQGTHSA-N 1 0 322.340 1.071 20 5 DDBDRO [NH3+][C@@H]1CN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC[C@H]1F ZINC000595908162 356700516 /nfs/dbraw/zinc/70/05/16/356700516.db2.gz ZBTZCGVHXYVBID-VXGBXAGGSA-N 1 0 321.312 1.516 20 5 DDBDRO CC[C@H]([NH2+]C)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000595920287 356704843 /nfs/dbraw/zinc/70/48/43/356704843.db2.gz QHPWKJDQAORFGJ-AWEZNQCLSA-N 1 0 306.366 1.241 20 5 DDBDRO C[NH2+]C[C@@H](C)NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000595983070 356735401 /nfs/dbraw/zinc/73/54/01/356735401.db2.gz NINGDTZKFUOFER-BDAKNGLRSA-N 1 0 315.757 1.740 20 5 DDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)C[NH2+]C)cc1OC ZINC000595983086 356735535 /nfs/dbraw/zinc/73/55/35/356735535.db2.gz NPAVJIHBIXTOAH-VIFPVBQESA-N 1 0 311.338 1.340 20 5 DDBDRO O=C(c1n[nH]cc1[N+](=O)[O-])N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000595935528 356711626 /nfs/dbraw/zinc/71/16/26/356711626.db2.gz FIVWHIUVZJZMHD-NSHDSACASA-N 1 0 307.354 1.170 20 5 DDBDRO Cc1nn(CCC(=O)NCC2([NH3+])CCCC2)c(C)c1[N+](=O)[O-] ZINC000595940143 356715028 /nfs/dbraw/zinc/71/50/28/356715028.db2.gz BNSXDIGNIDMYTO-UHFFFAOYSA-N 1 0 309.370 1.186 20 5 DDBDRO NC(=O)c1cc(N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)ccc1[N+](=O)[O-] ZINC000596074494 356763534 /nfs/dbraw/zinc/76/35/34/356763534.db2.gz AZGODRKAXQHARE-OCCSQVGLSA-N 1 0 304.350 1.732 20 5 DDBDRO COc1cccc([N+](=O)[O-])c1NCCC[NH+]1CCC(O)CC1 ZINC000596088150 356768202 /nfs/dbraw/zinc/76/82/02/356768202.db2.gz YPQZQBSXLWLXST-UHFFFAOYSA-N 1 0 309.366 1.862 20 5 DDBDRO O=c1[nH]ccc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000596227187 356823895 /nfs/dbraw/zinc/82/38/95/356823895.db2.gz QCQVPCXXENKWHA-LBPRGKRZSA-N 1 0 322.365 1.244 20 5 DDBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596232916 356826218 /nfs/dbraw/zinc/82/62/18/356826218.db2.gz UCLKDFINMJJDFD-DGCLKSJQSA-N 1 0 318.377 1.757 20 5 DDBDRO C[C@H]1C[C@@H](N(C)c2ccc([N+](=O)[O-])c(C(N)=O)c2)CC[N@@H+]1C ZINC000596137025 356787332 /nfs/dbraw/zinc/78/73/32/356787332.db2.gz OCOUWMXJLSARGC-JQWIXIFHSA-N 1 0 306.366 1.613 20 5 DDBDRO CN(CCC[NH+](C)C)CCNc1c(Cl)cncc1[N+](=O)[O-] ZINC000596425171 356875067 /nfs/dbraw/zinc/87/50/67/356875067.db2.gz OBRFHEVDSWDNQJ-UHFFFAOYSA-N 1 0 315.805 1.361 20 5 DDBDRO C[C@H](CCNc1c(Br)cncc1[N+](=O)[O-])[NH+](C)C ZINC000596435037 356879653 /nfs/dbraw/zinc/87/96/53/356879653.db2.gz ZRGZSEGTFHANCX-MRVPVSSYSA-N 1 0 317.187 1.926 20 5 DDBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000596538593 356911375 /nfs/dbraw/zinc/91/13/75/356911375.db2.gz MODNBXYIAWYKKV-AWEZNQCLSA-N 1 0 306.366 1.334 20 5 DDBDRO CCOc1cc(CN2CC[NH+](C[C@H](C)O)CC2)ccc1[N+](=O)[O-] ZINC000276894200 213159189 /nfs/dbraw/zinc/15/91/89/213159189.db2.gz KRRMBPIXTDFBJB-ZDUSSCGKSA-N 1 0 323.393 1.492 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NCC12CCC[NH+]1CCC2 ZINC000597586674 357239729 /nfs/dbraw/zinc/23/97/29/357239729.db2.gz GTZOCHNXUBCJRY-UHFFFAOYSA-N 1 0 319.361 1.962 20 5 DDBDRO COc1cc(C(=O)N2CCC3(C[NH+](C)C3)C2)c([N+](=O)[O-])cc1F ZINC000597569720 357231798 /nfs/dbraw/zinc/23/17/98/357231798.db2.gz ZCTCCGVZSGXSCO-UHFFFAOYSA-N 1 0 323.324 1.520 20 5 DDBDRO Cc1n[nH]c(C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)c1[N+](=O)[O-] ZINC000598221531 357497180 /nfs/dbraw/zinc/49/71/80/357497180.db2.gz XDGICIKCXTYRMR-NSHDSACASA-N 1 0 321.381 1.763 20 5 DDBDRO COC(=O)c1ccnc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000598590883 357644164 /nfs/dbraw/zinc/64/41/64/357644164.db2.gz RSDGKCQKFHOFTH-MNOVXSKESA-N 1 0 320.349 1.815 20 5 DDBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)NCC[C@@H]1CC[NH2+]C1 ZINC000178953390 198960154 /nfs/dbraw/zinc/96/01/54/198960154.db2.gz PICSMCJRAWGYNZ-ZDUSSCGKSA-N 1 0 320.393 1.903 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000598680817 357685195 /nfs/dbraw/zinc/68/51/95/357685195.db2.gz DNGBIDSMYZNJBH-WBMJQRKESA-N 1 0 318.377 1.655 20 5 DDBDRO COc1ccc(OCCN2C[C@H]3CCC[C@@]3([NH3+])C2)c([N+](=O)[O-])c1 ZINC000598681748 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/nfs/dbraw/zinc/80/08/78/360800878.db2.gz HEMKCBCNCDMAOK-NSHDSACASA-N 1 0 317.349 1.041 20 5 DDBDRO CC[C@@H]1CN(c2nc(C)cc(C)c2[N+](=O)[O-])CC[N@@H+]1C[C@@H](C)O ZINC000611615846 360776783 /nfs/dbraw/zinc/77/67/83/360776783.db2.gz CZVMGNLRQDKSFN-ZIAGYGMSSA-N 1 0 322.409 1.888 20 5 DDBDRO CCCc1n[nH]c(C(=O)NCC2=CC[N@H+](C)CC2)c1[N+](=O)[O-] ZINC000272017828 209386980 /nfs/dbraw/zinc/38/69/80/209386980.db2.gz UUABFDLTTZXYQJ-UHFFFAOYSA-N 1 0 307.354 1.262 20 5 DDBDRO Cc1c(CC(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000292453030 223090984 /nfs/dbraw/zinc/09/09/84/223090984.db2.gz KZTJBJIGEQKDPR-KBPBESRZSA-N 1 0 303.362 1.656 20 5 DDBDRO Cc1ccc(C)c(S(=O)(=O)NCCCC[NH3+])c1[N+](=O)[O-] ZINC000193316049 201028436 /nfs/dbraw/zinc/02/84/36/201028436.db2.gz UUNGRNHLXFOWJQ-UHFFFAOYSA-N 1 0 301.368 1.229 20 5 DDBDRO CCOC(=O)[C@@]1(C(C)C)CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000194878150 201305535 /nfs/dbraw/zinc/30/55/35/201305535.db2.gz VJUFHNJMXCLMPI-HNNXBMFYSA-N 1 0 324.381 1.703 20 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/nfs/dbraw/zinc/28/48/96/203284896.db2.gz OERZPVPLQBQRDI-RYUDHWBXSA-N 1 0 306.366 1.511 20 5 DDBDRO COc1cc(OCC(=O)N2CC[NH2+][C@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000262734375 203395090 /nfs/dbraw/zinc/39/50/90/203395090.db2.gz CCEHEYLHJOLBBZ-GHMZBOCLSA-N 1 0 323.349 1.191 20 5 DDBDRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000262755522 203399123 /nfs/dbraw/zinc/39/91/23/203399123.db2.gz KGLLJZBUEJZSQQ-ZWNOBZJWSA-N 1 0 318.377 1.897 20 5 DDBDRO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000282454002 217005998 /nfs/dbraw/zinc/00/59/98/217005998.db2.gz SQUJCOJJHNTABV-LBPRGKRZSA-N 1 0 322.365 1.107 20 5 DDBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000264670896 204066711 /nfs/dbraw/zinc/06/67/11/204066711.db2.gz JGUCPROXTSTKGH-GFCCVEGCSA-N 1 0 306.366 1.781 20 5 DDBDRO CN1CC[N@H+](C)C[C@H]1CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000264781571 204149243 /nfs/dbraw/zinc/14/92/43/204149243.db2.gz QVFLFHLOONIBEF-LLVKDONJSA-N 1 0 309.326 1.161 20 5 DDBDRO C[C@@H]([NH2+]C[C@@H](O)COC1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000271685683 209125603 /nfs/dbraw/zinc/12/56/03/209125603.db2.gz DIVNHBTUACFMHC-CHWSQXEVSA-N 1 0 324.377 1.802 20 5 DDBDRO C[C@@]1(CO)CCC[C@H]1[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000351525463 284361890 /nfs/dbraw/zinc/36/18/90/284361890.db2.gz SKMZSYQXKOZZBE-HIFRSBDPSA-N 1 0 307.350 1.674 20 5 DDBDRO Nc1nc(NC2CC[NH+](C3CCCC3)CC2)ncc1[N+](=O)[O-] ZINC000267252485 205927548 /nfs/dbraw/zinc/92/75/48/205927548.db2.gz ZQRYYBDILJCKBK-UHFFFAOYSA-N 1 0 306.370 1.786 20 5 DDBDRO CC[N@@H+]1CCCC[C@@H]1CNc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000267514987 206119141 /nfs/dbraw/zinc/11/91/41/206119141.db2.gz JZQMYRUNRYZSAO-GFCCVEGCSA-N 1 0 306.366 1.980 20 5 DDBDRO C[C@@H]1C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCS1 ZINC000171694597 248323328 /nfs/dbraw/zinc/32/33/28/248323328.db2.gz NRLGFJOABQUVQI-YPMHNXCESA-N 1 0 312.391 1.772 20 5 DDBDRO C[NH2+]CCCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000121133603 248272980 /nfs/dbraw/zinc/27/29/80/248272980.db2.gz HJUZMNNZBNSICK-UHFFFAOYSA-N 1 0 306.366 1.534 20 5 DDBDRO C[C@@H]1CC[C@@H](O)C[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000421021460 307300961 /nfs/dbraw/zinc/30/09/61/307300961.db2.gz OBYSYWSVYKWLTO-JHJVBQTASA-N 1 0 310.350 1.180 20 5 DDBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000038083109 182987471 /nfs/dbraw/zinc/98/74/71/182987471.db2.gz PDSYHIRHRBFOFO-VXGBXAGGSA-N 1 0 312.391 1.989 20 5 DDBDRO C[C@@H](CNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-])C[NH+](C)C ZINC000336848633 249254178 /nfs/dbraw/zinc/25/41/78/249254178.db2.gz LSGRAKIENYLLLL-JTQLQIEISA-N 1 0 315.395 1.608 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1CCCC[C@H]1OC(F)F ZINC000337377692 249468215 /nfs/dbraw/zinc/46/82/15/249468215.db2.gz BVACXJHVOZRRKW-WCBMZHEXSA-N 1 0 304.297 1.968 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](C)[C@H](C)CO ZINC000273951409 211206523 /nfs/dbraw/zinc/20/65/23/211206523.db2.gz FLYXOVSGRMDTAS-NEPJUHHUSA-N 1 0 309.366 1.838 20 5 DDBDRO CCOc1cccc(NC[C@H]2C[N@H+](C)CCN2C)c1[N+](=O)[O-] ZINC000273864024 211123938 /nfs/dbraw/zinc/12/39/38/211123938.db2.gz MXSPDKIUZDTJIL-LBPRGKRZSA-N 1 0 308.382 1.651 20 5 DDBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000110993486 194379557 /nfs/dbraw/zinc/37/95/57/194379557.db2.gz MOQSWZAKBIBYSD-LBPRGKRZSA-N 1 0 323.397 1.517 20 5 DDBDRO CC[C@@H](Cn1cncn1)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000340518769 251094721 /nfs/dbraw/zinc/09/47/21/251094721.db2.gz WFZMRXFGSYOYEV-LBPRGKRZSA-N 1 0 305.338 1.763 20 5 DDBDRO C[C@@H](CNC(=O)CCOc1ccccc1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000057707198 184048357 /nfs/dbraw/zinc/04/83/57/184048357.db2.gz HQHWSDGEAUWCDK-LBPRGKRZSA-N 1 0 321.377 1.963 20 5 DDBDRO C[C@H]([NH3+])C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000269038290 207187018 /nfs/dbraw/zinc/18/70/18/207187018.db2.gz LCXVJXIWARBILK-ZETCQYMHSA-N 1 0 320.271 1.489 20 5 DDBDRO CC(C)(C)[C@H](C[NH3+])NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000567674333 304233055 /nfs/dbraw/zinc/23/30/55/304233055.db2.gz ITZRZAFSVRZKPV-LBPRGKRZSA-N 1 0 309.322 1.427 20 5 DDBDRO C[C@@H](NC(=O)CCOc1ccccc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000269197606 207317971 /nfs/dbraw/zinc/31/79/71/207317971.db2.gz LWHAMQOHHZKNGN-OLZOCXBDSA-N 1 0 321.377 1.868 20 5 DDBDRO Cn1c(C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000352333724 284971262 /nfs/dbraw/zinc/97/12/62/284971262.db2.gz WFTIEBLWGWFJJN-LBPRGKRZSA-N 1 0 306.366 1.491 20 5 DDBDRO COc1cc(CN2CC[NH+](CC(C)(C)O)CC2)ccc1[N+](=O)[O-] ZINC000352405051 285028939 /nfs/dbraw/zinc/02/89/39/285028939.db2.gz KWUYUPHOAGQXLM-UHFFFAOYSA-N 1 0 323.393 1.492 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000119661137 195012452 /nfs/dbraw/zinc/01/24/52/195012452.db2.gz UPSUEYMETZPXJQ-SNVBAGLBSA-N 1 0 307.354 1.075 20 5 DDBDRO Cc1nn(C)c(C(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)c1[N+](=O)[O-] ZINC000119824514 195044035 /nfs/dbraw/zinc/04/40/35/195044035.db2.gz QZMTUWRTODWFRX-LBPRGKRZSA-N 1 0 323.397 1.344 20 5 DDBDRO CC[NH2+]CCCNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000567850576 304247928 /nfs/dbraw/zinc/24/79/28/304247928.db2.gz LIMSPOXRTBIZEK-UHFFFAOYSA-N 1 0 315.395 1.056 20 5 DDBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H](CO)C1CCOCC1 ZINC000359929879 299566633 /nfs/dbraw/zinc/56/66/33/299566633.db2.gz NLYBGNJWPPFKQN-QTLSWZBMSA-N 1 0 306.362 1.985 20 5 DDBDRO O=[N+]([O-])c1ccc(-c2noc(N3CC[C@H]4C[NH2+]C[C@@H]4C3)n2)cc1 ZINC000420260366 285106981 /nfs/dbraw/zinc/10/69/81/285106981.db2.gz NPLSVZPCOYWNMG-NWDGAFQWSA-N 1 0 315.333 1.691 20 5 DDBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N1CC[C@]2(CC[NH2+]C2)C1 ZINC000158581345 197285935 /nfs/dbraw/zinc/28/59/35/197285935.db2.gz LWQMEHQHBXWMOC-INIZCTEOSA-N 1 0 318.377 1.609 20 5 DDBDRO C[NH+]1CCC(NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000157112218 197163256 /nfs/dbraw/zinc/16/32/56/197163256.db2.gz YTZMFEFYPDBVCK-UHFFFAOYSA-N 1 0 317.342 1.106 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000415505493 533139473 /nfs/dbraw/zinc/13/94/73/533139473.db2.gz QIZXPGXWFXUYFV-AWEZNQCLSA-N 1 0 308.338 1.806 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000415507720 533140937 /nfs/dbraw/zinc/14/09/37/533140937.db2.gz TXHYDJSBCJSAPM-NSHDSACASA-N 1 0 324.337 1.103 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000451893737 285221253 /nfs/dbraw/zinc/22/12/53/285221253.db2.gz CEORIJNSUGDCLN-HNNXBMFYSA-N 1 0 307.350 1.259 20 5 DDBDRO Nc1ccc(C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)cc1[N+](=O)[O-] ZINC000289204824 220791085 /nfs/dbraw/zinc/79/10/85/220791085.db2.gz JXLAUVJVIHIQHC-XYPYZODXSA-N 1 0 306.366 1.672 20 5 DDBDRO CN(C)CC[N@H+](C)CCCNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000289673052 221144746 /nfs/dbraw/zinc/14/47/46/221144746.db2.gz GHSXFHDSIRXWMR-UHFFFAOYSA-N 1 0 323.397 1.600 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CN1C[C@H](C)[N@H+](CCO)C[C@H]1C ZINC000419317801 533220783 /nfs/dbraw/zinc/22/07/83/533220783.db2.gz APMDUYWKCNIWBP-QWHCGFSZSA-N 1 0 323.393 1.490 20 5 DDBDRO C[C@H]1CSC[C@H]1[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000352802353 285311527 /nfs/dbraw/zinc/31/15/27/285311527.db2.gz VSHSRXUZPXOAAN-GXFFZTMASA-N 1 0 321.402 1.825 20 5 DDBDRO COC[C@@]1(C(=O)OC)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000294939663 224325527 /nfs/dbraw/zinc/32/55/27/224325527.db2.gz CCWLTWPMDCNIPW-OAHLLOKOSA-N 1 0 308.334 1.606 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NCC1=CC[NH2+]CC1 ZINC000414659886 224369556 /nfs/dbraw/zinc/36/95/56/224369556.db2.gz UIDMYGSBIJZIGP-UHFFFAOYSA-N 1 0 306.322 1.645 20 5 DDBDRO CC[N@@H+]1CC[C@@H](CNC(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000121607170 195316479 /nfs/dbraw/zinc/31/64/79/195316479.db2.gz WFSSREXUQKGFRQ-LBPRGKRZSA-N 1 0 307.350 1.432 20 5 DDBDRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000122070868 195397233 /nfs/dbraw/zinc/39/72/33/195397233.db2.gz LJFZANNDFFNQDM-AAEUAGOBSA-N 1 0 306.366 1.735 20 5 DDBDRO CC[NH+]1CCN(CCNC(=O)c2cc(C)cc([N+](=O)[O-])c2)CC1 ZINC000123177031 195552846 /nfs/dbraw/zinc/55/28/46/195552846.db2.gz LUHHCMYETRFGTH-UHFFFAOYSA-N 1 0 320.393 1.271 20 5 DDBDRO C[C@@H]([NH2+]CCCn1cc(CO)nn1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294077621 533392560 /nfs/dbraw/zinc/39/25/60/533392560.db2.gz IELCYUVWLVTIDC-SNVBAGLBSA-N 1 0 320.353 1.002 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000178944665 291992973 /nfs/dbraw/zinc/99/29/73/291992973.db2.gz ZREVREOSBZISPY-NSHDSACASA-N 1 0 313.379 1.194 20 5 DDBDRO Cc1ccccc1C[C@@H](C)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000568714517 304306928 /nfs/dbraw/zinc/30/69/28/304306928.db2.gz WUWYFSSBVLGJQF-CZUORRHYSA-N 1 0 318.377 1.681 20 5 DDBDRO CC[C@@H]1C[N@H+](CC)CCN1c1ccc(C(=O)NC)cc1[N+](=O)[O-] ZINC000569196494 304340386 /nfs/dbraw/zinc/34/03/86/304340386.db2.gz RNEKEUPDMGXBPY-CYBMUJFWSA-N 1 0 320.393 1.875 20 5 DDBDRO CCC[N@@H+]1CCCN(C(=O)c2c([N+](=O)[O-])c(C)nn2C)CC1 ZINC000114352109 407563933 /nfs/dbraw/zinc/56/39/33/407563933.db2.gz BGCHSGBIJSZRPK-UHFFFAOYSA-N 1 0 309.370 1.195 20 5 DDBDRO CC(C)[C@@H]([NH3+])CNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000070447749 406817373 /nfs/dbraw/zinc/81/73/73/406817373.db2.gz MHSBUCLPBOJQJQ-VIFPVBQESA-N 1 0 321.786 1.510 20 5 DDBDRO COc1cc(C[NH2+]C[C@H]2CCCC[C@@H]2O)c([N+](=O)[O-])cc1O ZINC000077465183 406992432 /nfs/dbraw/zinc/99/24/32/406992432.db2.gz RYFMMCVEFGZSMV-MFKMUULPSA-N 1 0 310.350 1.950 20 5 DDBDRO C[C@@H](CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])[NH+](C)C ZINC000037985882 406995855 /nfs/dbraw/zinc/99/58/55/406995855.db2.gz MCBCFVIRCMXNNQ-VIFPVBQESA-N 1 0 301.368 1.360 20 5 DDBDRO [NH3+]C[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000089108271 407123883 /nfs/dbraw/zinc/12/38/83/407123883.db2.gz ZYXIXOUPWWWXLZ-GWCFXTLKSA-N 1 0 313.379 1.391 20 5 DDBDRO O=C(NCC[NH+]1CCCCCC1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000123092273 407319012 /nfs/dbraw/zinc/31/90/12/407319012.db2.gz NYLRACWRWBLHOJ-UHFFFAOYSA-N 1 0 308.338 1.301 20 5 DDBDRO CC[C@@H](O)C[NH+]1CCN(Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000123515237 407330469 /nfs/dbraw/zinc/33/04/69/407330469.db2.gz LBMOEWCCHVPDBI-OAHLLOKOSA-N 1 0 307.394 1.792 20 5 DDBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1c([N+](=O)[O-])cnn1C ZINC000122383761 407298970 /nfs/dbraw/zinc/29/89/70/407298970.db2.gz HLLLRBSUBOLHMP-NSHDSACASA-N 1 0 309.370 1.323 20 5 DDBDRO CC[NH+](CC)CCNS(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000122651244 407307223 /nfs/dbraw/zinc/30/72/23/407307223.db2.gz VBYACCRLNNNDDW-UHFFFAOYSA-N 1 0 321.424 1.585 20 5 DDBDRO C[N@H+](CCNC(=O)CNc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000104574730 407351491 /nfs/dbraw/zinc/35/14/91/407351491.db2.gz PBNYEJBBEIFIBR-UHFFFAOYSA-N 1 0 320.393 1.997 20 5 DDBDRO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000103283669 407335910 /nfs/dbraw/zinc/33/59/10/407335910.db2.gz ROGFRWFIJNZMQZ-CHWSQXEVSA-N 1 0 321.377 1.950 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000108335416 407383786 /nfs/dbraw/zinc/38/37/86/407383786.db2.gz DXAOHONTHQNMBJ-NSHDSACASA-N 1 0 307.350 1.675 20 5 DDBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2c([N+](=O)[O-])cnn2C)C1 ZINC000125318421 407384975 /nfs/dbraw/zinc/38/49/75/407384975.db2.gz XWULYPYTFVDLCE-LLVKDONJSA-N 1 0 309.370 1.132 20 5 DDBDRO C[N@H+](CCn1cccn1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000111283781 407406288 /nfs/dbraw/zinc/40/62/88/407406288.db2.gz MEZJVBQOJXDIDU-AWEZNQCLSA-N 1 0 320.349 1.163 20 5 DDBDRO CC(C)N(CC[NH+](C)C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000185981033 407556282 /nfs/dbraw/zinc/55/62/82/407556282.db2.gz IODZJVPJBMSSRF-UHFFFAOYSA-N 1 0 315.395 1.556 20 5 DDBDRO C[NH+](C)C[C@@H]1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000114147786 407545269 /nfs/dbraw/zinc/54/52/69/407545269.db2.gz BSOONKGZDWAATI-LBPRGKRZSA-N 1 0 307.350 1.384 20 5 DDBDRO COCC1(C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000261604342 407547261 /nfs/dbraw/zinc/54/72/61/407547261.db2.gz ACRILYPVOXVEPO-UHFFFAOYSA-N 1 0 323.349 1.558 20 5 DDBDRO CC(C)(CC(N)=O)[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000186227420 407613778 /nfs/dbraw/zinc/61/37/78/407613778.db2.gz LIMRREUNIOGOLU-UHFFFAOYSA-N 1 0 309.322 1.205 20 5 DDBDRO Cn1ccnc1[C@@H]1C[NH2+]CCN1Cc1cccc([N+](=O)[O-])c1 ZINC000261800507 407618530 /nfs/dbraw/zinc/61/85/30/407618530.db2.gz RKHJGQJDPRHJDD-AWEZNQCLSA-N 1 0 301.350 1.475 20 5 DDBDRO C[C@@H]1OCC[C@@]1(O)C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000227977211 407641943 /nfs/dbraw/zinc/64/19/43/407641943.db2.gz JYKBOZVLCMESBX-TVQRCGJNSA-N 1 0 300.742 1.878 20 5 DDBDRO CCCN(C(=O)COc1ccccc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000178902484 407645501 /nfs/dbraw/zinc/64/55/01/407645501.db2.gz KLSXYNBXODQZHM-GFCCVEGCSA-N 1 0 307.350 1.574 20 5 DDBDRO COc1cc(C(=O)N2CC[C@@H](OC)C[C@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000261866489 407648088 /nfs/dbraw/zinc/64/80/88/407648088.db2.gz KXBLKGNNUNYESD-NWDGAFQWSA-N 1 0 323.349 1.182 20 5 DDBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000179066829 407710712 /nfs/dbraw/zinc/71/07/12/407710712.db2.gz RVKPMYNTENTNKA-PWSUYJOCSA-N 1 0 309.391 1.896 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000235721092 407723606 /nfs/dbraw/zinc/72/36/06/407723606.db2.gz CLBHXDWVDFWCBK-QWRGUYRKSA-N 1 0 313.379 1.322 20 5 DDBDRO Cc1c(NC(=O)CCN2CC[NH2+]C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000261900405 407662928 /nfs/dbraw/zinc/66/29/28/407662928.db2.gz VZCNAAWHLMDHAO-NSHDSACASA-N 1 0 306.366 1.526 20 5 DDBDRO C[NH+](C)[C@@]1(CNc2ccc([N+](=O)[O-])c3nonc32)CCSC1 ZINC000267075832 407739323 /nfs/dbraw/zinc/73/93/23/407739323.db2.gz JHORKDWKCNKEGE-CYBMUJFWSA-N 1 0 323.378 1.980 20 5 DDBDRO C[N@@H+]1CCC[C@H](CNC(=O)NCc2ccccc2[N+](=O)[O-])C1 ZINC000171750435 407756945 /nfs/dbraw/zinc/75/69/45/407756945.db2.gz SRJIUVTUWHZDJJ-GFCCVEGCSA-N 1 0 306.366 1.736 20 5 DDBDRO C[C@]1(C[NH3+])CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000262132358 407748836 /nfs/dbraw/zinc/74/88/36/407748836.db2.gz WSSJARUPZJBHMJ-CQSZACIVSA-N 1 0 311.769 1.988 20 5 DDBDRO CC(C)COC[C@H](O)CN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153140523 407763497 /nfs/dbraw/zinc/76/34/97/407763497.db2.gz UARRHIGTNAZYDN-CQSZACIVSA-N 1 0 308.378 1.986 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H](C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000267195605 407783665 /nfs/dbraw/zinc/78/36/65/407783665.db2.gz KTIKWOCDGBQLOF-VIFPVBQESA-N 1 0 324.337 1.881 20 5 DDBDRO C[C@@H]([NH2+]C[C@H](O)COC1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000180406976 407885764 /nfs/dbraw/zinc/88/57/64/407885764.db2.gz WNUGVRXXYDAIKT-DOMZBBRYSA-N 1 0 324.377 1.802 20 5 DDBDRO C[C@H](C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)CS(C)(=O)=O ZINC000180438407 407887644 /nfs/dbraw/zinc/88/76/44/407887644.db2.gz CLCDQUCPVLTIQT-GHMZBOCLSA-N 1 0 300.380 1.926 20 5 DDBDRO CC[N@@H+]1CCCN([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000118826623 407949559 /nfs/dbraw/zinc/94/95/59/407949559.db2.gz SJKMUHDUJNXTHX-ZDUSSCGKSA-N 1 0 320.393 1.949 20 5 DDBDRO CN(CC(=O)Nc1ccccc1[N+](=O)[O-])C[C@H]1CCC[N@H+](C)C1 ZINC000118841685 407955443 /nfs/dbraw/zinc/95/54/43/407955443.db2.gz QYRZSNAMWDHHRW-ZDUSSCGKSA-N 1 0 320.393 1.807 20 5 DDBDRO C[C@@H]1C[C@H](NC(=O)CSc2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000262951213 407983637 /nfs/dbraw/zinc/98/36/37/407983637.db2.gz VMJRVDCAJPULPK-GHMZBOCLSA-N 1 0 309.391 1.944 20 5 DDBDRO C[C@@H]1CN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C[C@@H](C)[NH2+]1 ZINC000153906254 407929191 /nfs/dbraw/zinc/92/91/91/407929191.db2.gz WTYVCEBMPHOQAW-CHWSQXEVSA-N 1 0 320.393 1.996 20 5 DDBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000119414029 408062628 /nfs/dbraw/zinc/06/26/28/408062628.db2.gz NZJZCCLVOOQJKR-GFCCVEGCSA-N 1 0 320.393 1.885 20 5 DDBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2[nH]ncc2[N+](=O)[O-])C1 ZINC000136222866 408090100 /nfs/dbraw/zinc/09/01/00/408090100.db2.gz RPCMQAWIZYEADS-GHMZBOCLSA-N 1 0 309.370 1.416 20 5 DDBDRO COCC(C)(C)[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000154863710 408097666 /nfs/dbraw/zinc/09/76/66/408097666.db2.gz TXTODVIEKUECKQ-UHFFFAOYSA-N 1 0 307.350 1.499 20 5 DDBDRO C[NH2+]C[C@@H]1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000269166948 408229474 /nfs/dbraw/zinc/22/94/74/408229474.db2.gz DZRXSYJRHXPCNF-JTQLQIEISA-N 1 0 321.333 1.048 20 5 DDBDRO CC[N@H+](CCNC(=O)CCn1nc(C)c([N+](=O)[O-])c1C)C1CC1 ZINC000263731979 408230162 /nfs/dbraw/zinc/23/01/62/408230162.db2.gz CPPFYGBOYOYRAS-UHFFFAOYSA-N 1 0 323.397 1.399 20 5 DDBDRO CCC[NH+](CCC)CCCNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000263944886 408323570 /nfs/dbraw/zinc/32/35/70/408323570.db2.gz LVQHFGASUSLYLY-UHFFFAOYSA-N 1 0 311.386 1.420 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000269394925 408293852 /nfs/dbraw/zinc/29/38/52/408293852.db2.gz MRUDOKGZYJESRZ-LLVKDONJSA-N 1 0 323.397 1.855 20 5 DDBDRO Cc1n[nH]c(C(=O)NCC2(C[NH+](C)C)CCCC2)c1[N+](=O)[O-] ZINC000274229215 408332380 /nfs/dbraw/zinc/33/23/80/408332380.db2.gz PVUVCGNLVQIBOE-UHFFFAOYSA-N 1 0 309.370 1.478 20 5 DDBDRO C[N@@H+]1CC[C@@H](Cn2nnnc2Sc2ccccc2[N+](=O)[O-])C1 ZINC000131974671 162026795 /nfs/dbraw/zinc/02/67/95/162026795.db2.gz UTDVNQBNUFUOOJ-SNVBAGLBSA-N 1 0 320.378 1.684 20 5 DDBDRO Cc1c(C(=O)N(C)CC[NH+](C)C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000176379129 408351855 /nfs/dbraw/zinc/35/18/55/408351855.db2.gz HTLJVTVYZYOLCC-UHFFFAOYSA-N 1 0 310.310 1.445 20 5 DDBDRO C[N@H+](C[C@@H]1CCOC1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000246892724 408361599 /nfs/dbraw/zinc/36/15/99/408361599.db2.gz FHUVDBOOGVKANM-WFASDCNBSA-N 1 0 319.361 1.668 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000171445857 162219322 /nfs/dbraw/zinc/21/93/22/162219322.db2.gz BISQTLQXYWQXFD-LBPRGKRZSA-N 1 0 304.350 1.609 20 5 DDBDRO CC[C@H]([NH2+]CCC(=O)N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000159251744 408393008 /nfs/dbraw/zinc/39/30/08/408393008.db2.gz XEIOYVODWLTCNO-HNNXBMFYSA-N 1 0 321.377 1.884 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000247229784 408433407 /nfs/dbraw/zinc/43/34/07/408433407.db2.gz CYWCVXRBMAGIBZ-DGCLKSJQSA-N 1 0 323.397 1.288 20 5 DDBDRO Nc1cc(N)[nH+]c(SCc2nc3cc([N+](=O)[O-])ccc3o2)n1 ZINC000176933208 408479461 /nfs/dbraw/zinc/47/94/61/408479461.db2.gz OTLBWOJESNIPBK-UHFFFAOYSA-N 1 0 318.318 1.983 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)NCC[NH+]2CCC(C)CC2)n1 ZINC000191772500 408488461 /nfs/dbraw/zinc/48/84/61/408488461.db2.gz YUYWICWGRVSJEH-UHFFFAOYSA-N 1 0 309.370 1.273 20 5 DDBDRO C[N@@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])c(N)n2)[C@@H]1c1ccccc1 ZINC000270338985 408493542 /nfs/dbraw/zinc/49/35/42/408493542.db2.gz ZBGUPNRJIBOLBA-YPMHNXCESA-N 1 0 314.349 1.824 20 5 DDBDRO COCC[N@@H+]1CC[C@H](NC(=O)c2cc(C)cc([N+](=O)[O-])c2)C1 ZINC000264456514 408497125 /nfs/dbraw/zinc/49/71/25/408497125.db2.gz DMGOSDSNEXQLDJ-ZDUSSCGKSA-N 1 0 307.350 1.354 20 5 DDBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3N)CC[C@H]21 ZINC000248042302 408527620 /nfs/dbraw/zinc/52/76/20/408527620.db2.gz TZQOQAHNUPGAFP-IAQYHMDHSA-N 1 0 318.377 1.733 20 5 DDBDRO C[C@@H]1C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H]2CCCC[C@@H]12 ZINC000248404805 408560646 /nfs/dbraw/zinc/56/06/46/408560646.db2.gz AIGNUCMCBSSGLY-UNQGMJICSA-N 1 0 308.382 1.663 20 5 DDBDRO CCN1CC[NH+](C[C@H](C)CNc2nccc(C)c2[N+](=O)[O-])CC1 ZINC000265188574 408573952 /nfs/dbraw/zinc/57/39/52/408573952.db2.gz KFGYOVYWWKQZHJ-CYBMUJFWSA-N 1 0 321.425 1.984 20 5 DDBDRO COc1cccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c1[N+](=O)[O-] ZINC000248882296 408654334 /nfs/dbraw/zinc/65/43/34/408654334.db2.gz SOANGTIDZKNTBO-NEPJUHHUSA-N 1 0 319.361 1.912 20 5 DDBDRO CC[C@@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@H]1O ZINC000270900177 408731070 /nfs/dbraw/zinc/73/10/70/408731070.db2.gz MKEAOHQIRUNWSD-IUODEOHRSA-N 1 0 321.377 1.935 20 5 DDBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1c([N+](=O)[O-])cnn1C ZINC000163658216 408785525 /nfs/dbraw/zinc/78/55/25/408785525.db2.gz HEQZTKKFBGNFQS-WDEREUQCSA-N 1 0 309.370 1.179 20 5 DDBDRO C[C@H](O)C[N@@H+]1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000251950771 408790341 /nfs/dbraw/zinc/79/03/41/408790341.db2.gz VCEOYVBCGKHQMJ-OLZOCXBDSA-N 1 0 321.377 1.051 20 5 DDBDRO C[NH+](C)CCCC1CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000270955984 408757776 /nfs/dbraw/zinc/75/77/76/408757776.db2.gz NBFXLVVPJQTEAP-UHFFFAOYSA-N 1 0 308.386 1.525 20 5 DDBDRO O=[N+]([O-])c1ccn(CCN2CC[NH+](C3CCCCC3)CC2)n1 ZINC000163129933 408760905 /nfs/dbraw/zinc/76/09/05/408760905.db2.gz HUUFLHJOQOFFJY-UHFFFAOYSA-N 1 0 307.398 1.742 20 5 DDBDRO Cc1ccc(C(=O)N2CCN(CCO)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000188772040 163067189 /nfs/dbraw/zinc/06/71/89/163067189.db2.gz AYZKREJCHTWYGN-GFCCVEGCSA-N 1 0 307.350 1.042 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(CCO)[C@@H](C)C1 ZINC000188792567 163070445 /nfs/dbraw/zinc/07/04/45/163070445.db2.gz PPKAVXKEHMHQJX-LBPRGKRZSA-N 1 0 307.350 1.042 20 5 DDBDRO Cc1c(CN2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000189572424 163106107 /nfs/dbraw/zinc/10/61/07/163106107.db2.gz FNXHOTOTDUYEIS-QWHCGFSZSA-N 1 0 307.394 1.790 20 5 DDBDRO C[N@@H+]1CC[C@H](Cn2cc(Br)cc([N+](=O)[O-])c2=O)C1 ZINC000191193504 163176316 /nfs/dbraw/zinc/17/63/16/163176316.db2.gz PKSCBKDNUOYIBF-QMMMGPOBSA-N 1 0 316.155 1.471 20 5 DDBDRO CNC(=O)[C@H](C)NCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000291798441 408925173 /nfs/dbraw/zinc/92/51/73/408925173.db2.gz WXSFWBUKRYNMDH-ZETCQYMHSA-N 1 0 303.265 1.420 20 5 DDBDRO C[C@H](CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C[NH+](C)C ZINC000292229807 409006235 /nfs/dbraw/zinc/00/62/35/409006235.db2.gz CIBYKRZNUSHCNV-LLVKDONJSA-N 1 0 318.377 1.933 20 5 DDBDRO COC[C@](C)([NH3+])CNc1cc(C)c([N+](=O)[O-])cc1C(=O)OC ZINC000287514016 409048745 /nfs/dbraw/zinc/04/87/45/409048745.db2.gz ZLTNCJZIVFJKCD-CQSZACIVSA-N 1 0 311.338 1.466 20 5 DDBDRO CO[C@@]1(C)CCC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000279313539 409189632 /nfs/dbraw/zinc/18/96/32/409189632.db2.gz NKOZJWBPKPHLMS-ZBFHGGJFSA-N 1 0 324.377 1.835 20 5 DDBDRO C[C@H]1[C@@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CCS1(=O)=O ZINC000293870294 409197260 /nfs/dbraw/zinc/19/72/60/409197260.db2.gz IXQOLBAHXCJFOG-IKHFIWMDSA-N 1 0 310.375 1.773 20 5 DDBDRO CCc1ccc(C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000293597412 409145013 /nfs/dbraw/zinc/14/50/13/409145013.db2.gz ZODHGGPGOGEIQQ-KGLIPLIRSA-N 1 0 303.362 1.981 20 5 DDBDRO C[C@H](CNC(=O)CCOc1ccccc1[N+](=O)[O-])C[NH+](C)C ZINC000293740476 409171635 /nfs/dbraw/zinc/17/16/35/409171635.db2.gz LHTYKCHDNNXUMP-GFCCVEGCSA-N 1 0 309.366 1.678 20 5 DDBDRO O=C(CC[C@@H]1CC[NH2+]C1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000261781608 163701678 /nfs/dbraw/zinc/70/16/78/163701678.db2.gz BHFHCNJJLUHSPD-GFCCVEGCSA-N 1 0 303.362 1.869 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C)C[NH+](C)C)c1 ZINC000293945202 409211563 /nfs/dbraw/zinc/21/15/63/409211563.db2.gz VDPCZYRSAPGMPV-LLVKDONJSA-N 1 0 309.366 1.921 20 5 DDBDRO Cc1sc(C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)cc1[N+](=O)[O-] ZINC000289113348 409220514 /nfs/dbraw/zinc/22/05/14/409220514.db2.gz CYQIJGWHTCMTNO-LLVKDONJSA-N 1 0 324.406 1.084 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(N(C)CCC[N@@H+](C)CCN(C)C)n1 ZINC000289179057 409229419 /nfs/dbraw/zinc/22/94/19/409229419.db2.gz VTOFNWIBLJIXQF-UHFFFAOYSA-N 1 0 309.414 1.618 20 5 DDBDRO CN(C(=O)c1cc([N+](=O)[O-])c(F)cc1N)[C@H]1CCC[N@H+](C)C1 ZINC000279391720 409205207 /nfs/dbraw/zinc/20/52/07/409205207.db2.gz IUUSHJBBLNTUTD-VIFPVBQESA-N 1 0 310.329 1.482 20 5 DDBDRO C[C@@H]1OCC[C@@]12CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)CCO2 ZINC000280337181 409294952 /nfs/dbraw/zinc/29/49/52/409294952.db2.gz HNWBZZUDHJAJQV-VBNZEHGJSA-N 1 0 322.361 1.508 20 5 DDBDRO C[C@H]1CN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC[N@@H+](C2CC2)C1 ZINC000295065030 409312197 /nfs/dbraw/zinc/31/21/97/409312197.db2.gz ZMCNUDVDDFHBEJ-SNVBAGLBSA-N 1 0 319.365 1.009 20 5 DDBDRO Cn1c(C(=O)N2CCC3(CC[NH2+]CC3)CC2)ccc1[N+](=O)[O-] ZINC000262586336 163855259 /nfs/dbraw/zinc/85/52/59/163855259.db2.gz ZULATWPHGNVSBU-UHFFFAOYSA-N 1 0 306.366 1.539 20 5 DDBDRO C[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])CC(C)(C)CO ZINC000295241767 409392917 /nfs/dbraw/zinc/39/29/17/409392917.db2.gz PKMZTDOWVRGMSS-GFCCVEGCSA-N 1 0 312.366 1.285 20 5 DDBDRO CN(CCn1cc([N+](=O)[O-])ccc1=O)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285523354 409476854 /nfs/dbraw/zinc/47/68/54/409476854.db2.gz ONTRDWAMKBRDPV-NNQSOWQGSA-N 1 0 320.393 1.314 20 5 DDBDRO C[C@@H]1[C@H](O)CCC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000296447471 409562444 /nfs/dbraw/zinc/56/24/44/409562444.db2.gz WWRDHFHUEVHINU-UXIGCNINSA-N 1 0 310.350 1.180 20 5 DDBDRO Cc1cccc(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)c1[N+](=O)[O-] ZINC000307824846 409782381 /nfs/dbraw/zinc/78/23/81/409782381.db2.gz SZPYOZOHURGHKD-VIFPVBQESA-N 1 0 305.256 1.913 20 5 DDBDRO CC[C@H](C)[NH+]1CCN(C(=O)Cn2cc([N+](=O)[O-])nc2C)CC1 ZINC000297040041 409773807 /nfs/dbraw/zinc/77/38/07/409773807.db2.gz SQSXYSYMCIBAIJ-NSHDSACASA-N 1 0 309.370 1.042 20 5 DDBDRO C[C@@H]1C[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000354613084 409969443 /nfs/dbraw/zinc/96/94/43/409969443.db2.gz IMQDGQIITBGJAO-GHMZBOCLSA-N 1 0 313.379 1.356 20 5 DDBDRO COc1c(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000354580876 409950500 /nfs/dbraw/zinc/95/05/00/409950500.db2.gz DCVPVFAROQESSF-VXGBXAGGSA-N 1 0 319.361 1.960 20 5 DDBDRO C[NH+](C)[C@@H]1CCCN(c2nccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000357699398 410195053 /nfs/dbraw/zinc/19/50/53/410195053.db2.gz CVHUYXCSENYMQT-SNVBAGLBSA-N 1 0 307.354 1.009 20 5 DDBDRO COc1ccc(NC(=O)CC[N@H+]2C[C@H](O)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000351826456 410267497 /nfs/dbraw/zinc/26/74/97/410267497.db2.gz KBFVHADWRBKBPM-HZMBPMFUSA-N 1 0 323.349 1.245 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N(C)CC[NH+](C)C)c1 ZINC000351902409 410325798 /nfs/dbraw/zinc/32/57/98/410325798.db2.gz JETDEEKKSMKVIC-UHFFFAOYSA-N 1 0 315.395 1.394 20 5 DDBDRO C[C@@H]([NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)N(C)C ZINC000357850352 410294007 /nfs/dbraw/zinc/29/40/07/410294007.db2.gz NBNPHPLHFZQYOX-WDEREUQCSA-N 1 0 322.365 1.378 20 5 DDBDRO C[C@@H](c1nncn1C)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000346993224 410295658 /nfs/dbraw/zinc/29/56/58/410295658.db2.gz IRDFXTRYNRDOCV-WDEREUQCSA-N 1 0 317.353 1.366 20 5 DDBDRO Cc1ccc(NC(=O)C(=O)NCC(C)(C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000298608895 410312584 /nfs/dbraw/zinc/31/25/84/410312584.db2.gz PRMRXDCKGJCHQE-UHFFFAOYSA-N 1 0 322.365 1.298 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000347015228 410315790 /nfs/dbraw/zinc/31/57/90/410315790.db2.gz VYWVSPFFUUZRQY-GFCCVEGCSA-N 1 0 304.350 1.607 20 5 DDBDRO CC[C@@H](C)[N@H+](CCO)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000347470434 410569460 /nfs/dbraw/zinc/56/94/60/410569460.db2.gz HTCIXNZKJSVVAA-GFCCVEGCSA-N 1 0 309.366 1.935 20 5 DDBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1c1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000343621193 410577716 /nfs/dbraw/zinc/57/77/16/410577716.db2.gz HGEVEXOJJMCNAL-RYUDHWBXSA-N 1 0 318.377 1.757 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@H]1CCOC1 ZINC000299246229 410580490 /nfs/dbraw/zinc/58/04/90/410580490.db2.gz KLLWCTKJRBVDIQ-LBPRGKRZSA-N 1 0 323.349 1.653 20 5 DDBDRO C[C@@H]1[C@H](NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CCC[N@@H+]1C ZINC000355924337 410734593 /nfs/dbraw/zinc/73/45/93/410734593.db2.gz ZBDOFTHHXBSYOZ-BXKDBHETSA-N 1 0 317.349 1.684 20 5 DDBDRO CC[N@H+](C)C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC)C1 ZINC000301539797 410742548 /nfs/dbraw/zinc/74/25/48/410742548.db2.gz NOGWPNLHSPYBIG-LBPRGKRZSA-N 1 0 320.393 1.732 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)[C@H]1C[NH+]2CCC1CC2 ZINC000347943965 410806605 /nfs/dbraw/zinc/80/66/05/410806605.db2.gz IXYKFBCDBQMZTD-ZDUSSCGKSA-N 1 0 321.381 1.042 20 5 DDBDRO C[C@H]1C[N@H+](C)CCN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000330675666 410869809 /nfs/dbraw/zinc/86/98/09/410869809.db2.gz SOFMGYCPAIBAKL-NSHDSACASA-N 1 0 317.349 1.781 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2C[C@@H]3CC[C@@H](O)[C@@H]3C2)c1 ZINC000343995405 410877434 /nfs/dbraw/zinc/87/74/34/410877434.db2.gz QISFDSGASFYJDQ-KSZJFAHPSA-N 1 0 322.361 1.037 20 5 DDBDRO [NH3+]CCN(Cc1c[nH]c2nccnc12)c1ccccc1[N+](=O)[O-] ZINC000356297132 410949952 /nfs/dbraw/zinc/94/99/52/410949952.db2.gz DXRJTOHGZFMWNR-UHFFFAOYSA-N 1 0 312.333 1.783 20 5 DDBDRO CC(C)[C@@H]1CN(C(=O)COc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000331117152 410956630 /nfs/dbraw/zinc/95/66/30/410956630.db2.gz DXIRKQJUGKOIJB-AWEZNQCLSA-N 1 0 321.377 1.772 20 5 DDBDRO C[C@H]1CC[N@H+](C)CCN1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000341242898 410961136 /nfs/dbraw/zinc/96/11/36/410961136.db2.gz XMZCJYDKTSSBKO-ZDUSSCGKSA-N 1 0 320.393 1.873 20 5 DDBDRO COCC[N@@H+]1CC[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000344240689 411049063 /nfs/dbraw/zinc/04/90/63/411049063.db2.gz QZQIAFGPNFSLST-LBPRGKRZSA-N 1 0 311.313 1.184 20 5 DDBDRO Cn1nc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000356477868 411049798 /nfs/dbraw/zinc/04/97/98/411049798.db2.gz LJCIRFDFRWCVJS-GFCCVEGCSA-N 1 0 321.381 1.419 20 5 DDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000360221015 411105852 /nfs/dbraw/zinc/10/58/52/411105852.db2.gz CKHJPGCUOBCYFM-RRFJBIMHSA-N 1 0 309.410 1.766 20 5 DDBDRO O=[N+]([O-])c1ccc(NC[C@H]2CCC[C@H]2[NH+]2CCOCC2)nc1 ZINC000360231850 411106568 /nfs/dbraw/zinc/10/65/68/411106568.db2.gz ZOQRFHHTXHMSPC-TZMCWYRMSA-N 1 0 306.366 1.903 20 5 DDBDRO C[C@H](C[C@H](C)[NH3+])NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000571560845 304470845 /nfs/dbraw/zinc/47/08/45/304470845.db2.gz HPFCJQXUCAOEFO-JGVFFNPUSA-N 1 0 321.786 1.652 20 5 DDBDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(c2ncc([N+](=O)[O-])c(N)n2)C[C@@H](C)C1 ZINC000488756843 416562020 /nfs/dbraw/zinc/56/20/20/416562020.db2.gz WXUHWAPJSSCJHP-HBNTYKKESA-N 1 0 306.370 1.134 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@H](C[NH3+])C1CC1 ZINC000417186965 225237418 /nfs/dbraw/zinc/23/74/18/225237418.db2.gz UHLVWHLZZAADNW-GFCCVEGCSA-N 1 0 308.338 1.140 20 5 DDBDRO O=C(NCC1=CC[NH2+]CC1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000418547656 225793167 /nfs/dbraw/zinc/79/31/67/225793167.db2.gz YRVGJDKYZRAETH-UHFFFAOYSA-N 1 0 316.361 1.582 20 5 DDBDRO CN(C)C(=O)O[C@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000296776089 226220227 /nfs/dbraw/zinc/22/02/27/226220227.db2.gz PYVCSRWNPPBLFU-AWEZNQCLSA-N 1 0 323.349 1.746 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1C[C@@H](C)[NH2+]C[C@H]1C ZINC000420401314 226484176 /nfs/dbraw/zinc/48/41/76/226484176.db2.gz PGCFHRQCYYQHFB-VXGBXAGGSA-N 1 0 306.366 1.524 20 5 DDBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])cn3)CC[C@@H]21 ZINC000366295036 418453106 /nfs/dbraw/zinc/45/31/06/418453106.db2.gz PTQVWUVAGRYZJA-FZMZJTMJSA-N 1 0 304.350 1.546 20 5 DDBDRO O=C1NC(=O)[C@H]2CC[N@@H+](C/C=C/c3ccccc3[N+](=O)[O-])C[C@H]12 ZINC000366571586 418492181 /nfs/dbraw/zinc/49/21/81/418492181.db2.gz XVCOUZARXKHXIS-CDBNLRSOSA-N 1 0 315.329 1.203 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000194233221 418541973 /nfs/dbraw/zinc/54/19/73/418541973.db2.gz IOLDPXPPHFJROD-UHFFFAOYSA-N 1 0 318.377 1.902 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NCCC1CC[NH+](C)CC1 ZINC000195249277 418555024 /nfs/dbraw/zinc/55/50/24/418555024.db2.gz ARFHBRGUSKTXNP-UHFFFAOYSA-N 1 0 306.366 1.760 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CC[N@H+](CC)C[C@@H]2C)n1 ZINC000191633056 222106534 /nfs/dbraw/zinc/10/65/34/222106534.db2.gz YSHDXJJSJXCBME-RYUDHWBXSA-N 1 0 323.397 1.614 20 5 DDBDRO C[C@@H]1[C@H]([NH3+])CCCN1C(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000297404437 227121083 /nfs/dbraw/zinc/12/10/83/227121083.db2.gz PRTVZLLNRYYXTC-ZWNOBZJWSA-N 1 0 306.366 1.613 20 5 DDBDRO COCCC[N@@H+]1CCCN(c2ncc([N+](=O)[O-])s2)CC1 ZINC000375581096 418658328 /nfs/dbraw/zinc/65/83/28/418658328.db2.gz ADLLGSZFZXRGDT-UHFFFAOYSA-N 1 0 300.384 1.600 20 5 DDBDRO COCC[N@H+](C)C[C@@H](O)COc1ccc(Cl)cc1[N+](=O)[O-] ZINC000386741907 418740943 /nfs/dbraw/zinc/74/09/43/418740943.db2.gz XUPHWKGYNWYNRS-LLVKDONJSA-N 1 0 318.757 1.566 20 5 DDBDRO [NH3+]C[C@H](NC(=O)c1ccc([N+](=O)[O-])c2cccnc12)C1CC1 ZINC000422854984 227221838 /nfs/dbraw/zinc/22/18/38/227221838.db2.gz BQHNZKORBBXXRY-LBPRGKRZSA-N 1 0 300.318 1.610 20 5 DDBDRO Cn1ccnc1[C@H](N[C@@H]1CCC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000423196833 227397150 /nfs/dbraw/zinc/39/71/50/227397150.db2.gz WMJYGMKBVKOEIQ-UKRRQHHQSA-N 1 0 315.377 1.759 20 5 DDBDRO Cc1ccc(C(=O)N2CCC[N@@H+]([C@@H](C)CO)CC2)cc1[N+](=O)[O-] ZINC000364933219 418825404 /nfs/dbraw/zinc/82/54/04/418825404.db2.gz LPDWGZWUWJIPAA-ZDUSSCGKSA-N 1 0 321.377 1.432 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1NC[C@@H]1C[N@@H+]3CCC[C@@H]3CO1)CCN2 ZINC000365542875 418872926 /nfs/dbraw/zinc/87/29/26/418872926.db2.gz CBCZIJHOAXOHMA-VXGBXAGGSA-N 1 0 318.377 1.838 20 5 DDBDRO Cc1cc(C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)c(N)c([N+](=O)[O-])c1 ZINC000365246043 418845104 /nfs/dbraw/zinc/84/51/04/418845104.db2.gz OCDOAGXKBVNONV-CMPLNLGQSA-N 1 0 304.350 1.309 20 5 DDBDRO C[NH+]1CCC2(CCCN2C(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000372837912 418907842 /nfs/dbraw/zinc/90/78/42/418907842.db2.gz LAXDVHWRSNUMAM-UHFFFAOYSA-N 1 0 304.350 1.690 20 5 DDBDRO O=C(N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1cc([N+](=O)[O-])c[nH]1 ZINC000423966117 227828472 /nfs/dbraw/zinc/82/84/72/227828472.db2.gz GEFQQRPPLLUNAW-GXTWGEPZSA-N 1 0 300.318 1.408 20 5 DDBDRO C[C@@H]1C[C@H](CO)C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000420929419 419361970 /nfs/dbraw/zinc/36/19/70/419361970.db2.gz BJNRJJAFFNBGPT-RDBSUJKOSA-N 1 0 324.377 1.285 20 5 DDBDRO CC(C)[C@@](C)([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C(N)=O ZINC000411726541 419391363 /nfs/dbraw/zinc/39/13/63/419391363.db2.gz LFRCSWLQUBKBRC-OAHLLOKOSA-N 1 0 322.365 1.413 20 5 DDBDRO [NH3+][C@H]1CCC[C@H](NC(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000417930069 419393245 /nfs/dbraw/zinc/39/32/45/419393245.db2.gz AXEVGXFPBFMPOP-STQMWFEESA-N 1 0 306.366 1.706 20 5 DDBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)NC[C@H]1CCC[NH2+]C1 ZINC000417929402 419394110 /nfs/dbraw/zinc/39/41/10/419394110.db2.gz AIQDOEHHUBKLPP-ZDUSSCGKSA-N 1 0 306.366 1.436 20 5 DDBDRO COC(=O)[C@@H]1CN(Cc2csc([N+](=O)[O-])c2)CC[N@H+](C)C1 ZINC000411915077 419484919 /nfs/dbraw/zinc/48/49/19/419484919.db2.gz YKZSOAJELPFRAR-NSHDSACASA-N 1 0 313.379 1.193 20 5 DDBDRO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCC[C@H]3CCO)o2)cc1 ZINC000426256677 419421494 /nfs/dbraw/zinc/42/14/94/419421494.db2.gz SWYYZTBPPXFLKX-LBPRGKRZSA-N 1 0 318.333 1.992 20 5 DDBDRO CC(=O)N[C@@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000420990899 419428135 /nfs/dbraw/zinc/42/81/35/419428135.db2.gz VHKSAUJAGDGPQO-CYBMUJFWSA-N 1 0 320.349 1.134 20 5 DDBDRO CN(C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C[C@@H]1CCC[N@@H+]1C ZINC000421000184 419435593 /nfs/dbraw/zinc/43/55/93/419435593.db2.gz KANZSJACSKSMHN-LSDHHAIUSA-N 1 0 323.393 1.361 20 5 DDBDRO C[C@H](NC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000417980668 419445224 /nfs/dbraw/zinc/44/52/24/419445224.db2.gz KVCZYBPVWLDZRA-GMXVVIOVSA-N 1 0 306.366 1.953 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@]12CCOC2 ZINC000421010949 419445848 /nfs/dbraw/zinc/44/58/48/419445848.db2.gz DBFUSZYEFKYTHY-SWLSCSKDSA-N 1 0 308.334 1.199 20 5 DDBDRO Cc1c(CNC(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000418082297 419519613 /nfs/dbraw/zinc/51/96/13/419519613.db2.gz PXCZOQDJZMPBQE-UONOGXRCSA-N 1 0 318.377 1.797 20 5 DDBDRO CO[C@](C)([C@@H](C)[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CC1 ZINC000411961723 419521397 /nfs/dbraw/zinc/52/13/97/419521397.db2.gz ARYAVSIGVZATJT-QLJPJBMISA-N 1 0 321.377 1.987 20 5 DDBDRO O=[N+]([O-])c1ccccc1OCC[NH2+][C@@H](CO)[C@@H]1CCCOC1 ZINC000411992776 419548286 /nfs/dbraw/zinc/54/82/86/419548286.db2.gz KHARYHGCAWVMFU-OLZOCXBDSA-N 1 0 310.350 1.351 20 5 DDBDRO COc1ccc(C[NH2+]C[C@H]2CC[C@H](C(N)=O)CC2)cc1[N+](=O)[O-] ZINC000421363528 419584116 /nfs/dbraw/zinc/58/41/16/419584116.db2.gz PSYZNUITZPZJPA-AULYBMBSSA-N 1 0 321.377 1.985 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)n1 ZINC000427456349 419662469 /nfs/dbraw/zinc/66/24/69/419662469.db2.gz GTSCMVARJSTVEC-TXEJJXNPSA-N 1 0 323.397 1.804 20 5 DDBDRO Cc1nn(CCC(=O)N(C)C[C@@H]2CCC[N@@H+]2C)c(C)c1[N+](=O)[O-] ZINC000421705521 419689634 /nfs/dbraw/zinc/68/96/34/419689634.db2.gz RMSZUXAVNIRYFN-ZDUSSCGKSA-N 1 0 323.397 1.351 20 5 DDBDRO C[NH+](C)C1CCC(NC(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000422004203 419800464 /nfs/dbraw/zinc/80/04/64/419800464.db2.gz FXARREQMTCRVJK-UHFFFAOYSA-N 1 0 307.354 1.175 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000299504316 229162681 /nfs/dbraw/zinc/16/26/81/229162681.db2.gz LMZDZFUBGKDLBD-GFCCVEGCSA-N 1 0 323.397 1.480 20 5 DDBDRO Cc1n[nH]c(C(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000299529274 229184557 /nfs/dbraw/zinc/18/45/57/229184557.db2.gz LJMHPMTVSDYRGR-NXEZZACHSA-N 1 0 309.370 1.477 20 5 DDBDRO CC[NH2+]CCN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000423236596 419992588 /nfs/dbraw/zinc/99/25/88/419992588.db2.gz OLJRFXUAGDKBHT-AWEZNQCLSA-N 1 0 303.366 1.617 20 5 DDBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](CN)C1CC1 ZINC000423282133 420002111 /nfs/dbraw/zinc/00/21/11/420002111.db2.gz UZEDRKKAKSXGPY-HZMBPMFUSA-N 1 0 306.366 1.639 20 5 DDBDRO [NH3+]CC1(CC(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000423416551 420043626 /nfs/dbraw/zinc/04/36/26/420043626.db2.gz QYEYPPORAILYCD-LLVKDONJSA-N 1 0 319.365 1.132 20 5 DDBDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000429766508 420046056 /nfs/dbraw/zinc/04/60/56/420046056.db2.gz YRPGZOUFRDRJCX-ZIAGYGMSSA-N 1 0 307.350 1.478 20 5 DDBDRO Cc1cc(NC(=O)N2CCCO[C@@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000415419557 420057339 /nfs/dbraw/zinc/05/73/39/420057339.db2.gz QPJDXZNYAICPDF-LBPRGKRZSA-N 1 0 308.338 1.485 20 5 DDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC1([NH3+])CCC1 ZINC000415554475 420109143 /nfs/dbraw/zinc/10/91/43/420109143.db2.gz DNNSSCNUQYVTDQ-UHFFFAOYSA-N 1 0 320.349 1.093 20 5 DDBDRO O=C(C[C@@H]1COCC[NH2+]1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000423720548 420140784 /nfs/dbraw/zinc/14/07/84/420140784.db2.gz HMZXFOGENJWLPL-CYBMUJFWSA-N 1 0 319.361 1.464 20 5 DDBDRO COc1ccc(NC(=O)N[C@H]2CCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000415452608 420072318 /nfs/dbraw/zinc/07/23/18/420072318.db2.gz YQFAPEQUFVSULY-UWVGGRQHSA-N 1 0 308.338 1.995 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000415482534 420084022 /nfs/dbraw/zinc/08/40/22/420084022.db2.gz KRLBDRILCXNSRH-UHFFFAOYSA-N 1 0 322.365 1.285 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(C(=O)N(C)C)CC1 ZINC000430201200 420090562 /nfs/dbraw/zinc/09/05/62/420090562.db2.gz YJUVOVTXAMIRJY-UHFFFAOYSA-N 1 0 321.377 1.904 20 5 DDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000430924114 420206409 /nfs/dbraw/zinc/20/64/09/420206409.db2.gz HJRJQFWAENAXCV-IJLUTSLNSA-N 1 0 306.366 1.604 20 5 DDBDRO CCCN(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@H]1CC[NH2+]C1 ZINC000430931195 420213633 /nfs/dbraw/zinc/21/36/33/420213633.db2.gz VPQIPWVYOVLIEC-HNNXBMFYSA-N 1 0 320.393 1.632 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@](C)(C[NH3+])C(C)C ZINC000430595452 420151400 /nfs/dbraw/zinc/15/14/00/420151400.db2.gz XZDHWNWLHNOCTK-HNNXBMFYSA-N 1 0 308.382 1.805 20 5 DDBDRO [NH3+][C@H]1CCC[C@@H](CNc2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000420274328 420177126 /nfs/dbraw/zinc/17/71/26/420177126.db2.gz FNLBYTXGPRFMDA-MNOVXSKESA-N 1 0 301.350 2.467 20 5 DDBDRO C[C@@H]1CCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@H](C[NH3+])C1 ZINC000420345040 420224723 /nfs/dbraw/zinc/22/47/23/420224723.db2.gz UXULVNDICOOUHX-DOMZBBRYSA-N 1 0 320.393 1.617 20 5 DDBDRO C[C@H](N[C@@H]1[C@@H](C)CC[NH2+][C@H]1C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000420369697 420241860 /nfs/dbraw/zinc/24/18/60/420241860.db2.gz OKQWMVCZHKBAPI-JUFZMCDQSA-N 1 0 320.393 1.898 20 5 DDBDRO C[C@@H]1CN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)[C@H](C)C[NH2+]1 ZINC000420406497 420266568 /nfs/dbraw/zinc/26/65/68/420266568.db2.gz UJEHXKMLNPLERA-GHMZBOCLSA-N 1 0 317.349 1.827 20 5 DDBDRO C[C@@H]1C[NH2+][C@@H](C)CN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000420408961 420267889 /nfs/dbraw/zinc/26/78/89/420267889.db2.gz WNOVHPMYGWNTGP-NWDGAFQWSA-N 1 0 306.366 1.606 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000430943486 420217836 /nfs/dbraw/zinc/21/78/36/420217836.db2.gz PERMEKFCFZAOPQ-RYUDHWBXSA-N 1 0 306.366 1.511 20 5 DDBDRO [NH3+]C[C@H]1CC[C@H](NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000420445437 420291937 /nfs/dbraw/zinc/29/19/37/420291937.db2.gz AIKXFIGHCCXNED-JQWIXIFHSA-N 1 0 313.379 1.142 20 5 DDBDRO Cc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000420454699 420298041 /nfs/dbraw/zinc/29/80/41/420298041.db2.gz WOLPCOCQUGDIJG-MNOVXSKESA-N 1 0 313.379 1.309 20 5 DDBDRO C[C@H]1[NH2+]CCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000436046675 420303357 /nfs/dbraw/zinc/30/33/57/420303357.db2.gz CARLWKIWSPHMEB-NEPJUHHUSA-N 1 0 306.366 1.240 20 5 DDBDRO Cc1ccc(C)c(S(=O)(=O)N(C)C2CC([NH3+])C2)c1[N+](=O)[O-] ZINC000420467218 420304290 /nfs/dbraw/zinc/30/42/90/420304290.db2.gz NGMKIRCOEVZJRH-UHFFFAOYSA-N 1 0 313.379 1.322 20 5 DDBDRO C[C@@H]1C[C@@H](C[NH3+])CN1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000447249504 230349450 /nfs/dbraw/zinc/34/94/50/230349450.db2.gz UNFIOULFFBHPTJ-PWSUYJOCSA-N 1 0 313.379 1.094 20 5 DDBDRO Cc1n[nH]c(C(=O)NC[C@@H]2CCCC[N@H+]2CC(C)C)c1[N+](=O)[O-] ZINC000439696151 420531598 /nfs/dbraw/zinc/53/15/98/420531598.db2.gz MVLMLJCUSXGIHU-LBPRGKRZSA-N 1 0 323.397 1.867 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000457080880 420605019 /nfs/dbraw/zinc/60/50/19/420605019.db2.gz CMKPQCUFLJPDFI-NSHDSACASA-N 1 0 323.397 1.996 20 5 DDBDRO C[C@H]1C[N@H+](CCO)CCN1c1ccc([N+](=O)[O-])c2cnccc21 ZINC000450955072 420568651 /nfs/dbraw/zinc/56/86/51/420568651.db2.gz PEQFRNKCTYIOQY-LBPRGKRZSA-N 1 0 316.361 1.646 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H]1CCC[C@]1(C)CO ZINC000492892906 420701036 /nfs/dbraw/zinc/70/10/36/420701036.db2.gz PHNPNZBDXRMFSQ-XJKSGUPXSA-N 1 0 321.377 1.982 20 5 DDBDRO [NH3+]C[C@@H]1CC[C@H](NC(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000492965775 420723751 /nfs/dbraw/zinc/72/37/51/420723751.db2.gz VDEQKASSJZMVNR-SERJVLABSA-N 1 0 307.325 1.991 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC2(CCC2)[C@@H]2COC[C@H]21 ZINC000459657321 420841670 /nfs/dbraw/zinc/84/16/70/420841670.db2.gz FQDQOCPPLVNBHD-ZIAGYGMSSA-N 1 0 319.361 1.257 20 5 DDBDRO C[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccn(C)n1 ZINC000459791213 420873659 /nfs/dbraw/zinc/87/36/59/420873659.db2.gz STUBKZDVMUGCNV-WCQYABFASA-N 1 0 320.349 1.419 20 5 DDBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000479532347 420980891 /nfs/dbraw/zinc/98/08/91/420980891.db2.gz NHBPIMQDGNFRNL-NSHDSACASA-N 1 0 308.382 1.736 20 5 DDBDRO Nc1c(C(=O)NC[C@H]2CCC[C@H]([NH3+])C2)cc(F)cc1[N+](=O)[O-] ZINC000449644114 421042864 /nfs/dbraw/zinc/04/28/64/421042864.db2.gz IVCUFCORZYZMKS-WPRPVWTQSA-N 1 0 310.329 1.563 20 5 DDBDRO CC[C@@H]([NH3+])CNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000449606399 421036887 /nfs/dbraw/zinc/03/68/87/421036887.db2.gz QLVIEQIBCUIPBZ-SNVBAGLBSA-N 1 0 303.322 1.248 20 5 DDBDRO C[C@@H](NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)[C@H](C)[NH3+] ZINC000449604975 421037561 /nfs/dbraw/zinc/03/75/61/421037561.db2.gz VHXUYBMDXZXLHW-VHSXEESVSA-N 1 0 303.322 1.246 20 5 DDBDRO COc1cc(C[NH2+][C@@H]2CCC[C@@H]2CO)c([N+](=O)[O-])cc1OC ZINC000449707465 421065654 /nfs/dbraw/zinc/06/56/54/421065654.db2.gz QZBZIBNSVCBIGC-ZYHUDNBSSA-N 1 0 310.350 1.863 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000456322948 421142291 /nfs/dbraw/zinc/14/22/91/421142291.db2.gz UAHQMTUPQBVIBH-YOGCLGLASA-N 1 0 319.361 1.958 20 5 DDBDRO C[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])s1)C[NH+](C)C ZINC000490036307 421185933 /nfs/dbraw/zinc/18/59/33/421185933.db2.gz GTDUOEOZLLLKGO-MRVPVSSYSA-N 1 0 307.397 1.132 20 5 DDBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H](CO)C[NH+]1CCCCC1 ZINC000450516073 421205875 /nfs/dbraw/zinc/20/58/75/421205875.db2.gz ANSKATPTJSSWSV-GFCCVEGCSA-N 1 0 311.386 1.378 20 5 DDBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC000560975077 421300606 /nfs/dbraw/zinc/30/06/06/421300606.db2.gz HLYCAGVNMRDIJF-GRYCIOLGSA-N 1 0 321.381 1.795 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)N2CCN(C)C(C)(C)C2)c1[N+](=O)[O-] ZINC000560454440 421266247 /nfs/dbraw/zinc/26/62/47/421266247.db2.gz JCULRKUYILCXSZ-UHFFFAOYSA-N 1 0 309.370 1.608 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]Cc2coc3ccccc23)c1 ZINC000563531098 421518708 /nfs/dbraw/zinc/51/87/08/421518708.db2.gz ZYEUQLLAYBEAQN-ZDUSSCGKSA-N 1 0 316.317 1.688 20 5 DDBDRO C[N@H+](C[C@H](O)CN1CCc2c(cccc2[N+](=O)[O-])C1)C1CC1 ZINC000515017674 421472722 /nfs/dbraw/zinc/47/27/22/421472722.db2.gz CUIHFXCNWDGCTE-AWEZNQCLSA-N 1 0 305.378 1.408 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC000563822697 421546137 /nfs/dbraw/zinc/54/61/37/421546137.db2.gz LWTBUOGIEBVBCA-LLVKDONJSA-N 1 0 307.350 1.561 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CC[C@H]1CCCCO1 ZINC000564202954 421574373 /nfs/dbraw/zinc/57/43/73/421574373.db2.gz IJAIDVIYZWDTNJ-ZIAGYGMSSA-N 1 0 324.377 1.883 20 5 DDBDRO CN(C(=O)C[NH2+][C@@H]1C[C@@H](O)C1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000570525068 421651174 /nfs/dbraw/zinc/65/11/74/421651174.db2.gz GSFCHURPCLXOIW-CHWSQXEVSA-N 1 0 307.350 1.307 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CCC(=O)N(C)C1=O ZINC000570793332 421669159 /nfs/dbraw/zinc/66/91/59/421669159.db2.gz SGAUGILOCLGGPY-ZWNOBZJWSA-N 1 0 305.334 1.701 20 5 DDBDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000557147326 421761957 /nfs/dbraw/zinc/76/19/57/421761957.db2.gz RTGUAGKFRDXHCK-BXUZGUMPSA-N 1 0 322.365 1.271 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@@H]2CCCSC2)c1 ZINC000521994885 421809889 /nfs/dbraw/zinc/80/98/89/421809889.db2.gz ITCXUURDEDIJFF-YPMHNXCESA-N 1 0 312.391 1.820 20 5 DDBDRO COc1ccc(CC(=O)N2CC[C@H](C[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000543028541 421833342 /nfs/dbraw/zinc/83/33/42/421833342.db2.gz XCADHEIQTHIEPX-CYBMUJFWSA-N 1 0 321.377 1.556 20 5 DDBDRO CC(C)[N@@H+]1CC[C@@H](CNc2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000558589558 421814888 /nfs/dbraw/zinc/81/48/88/421814888.db2.gz LCVBNUQQZWMLHE-JTQLQIEISA-N 1 0 307.354 1.231 20 5 DDBDRO C[C@H]1C[C@H](NC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)CC[NH2+]1 ZINC000557222336 421765620 /nfs/dbraw/zinc/76/56/20/421765620.db2.gz UUTQZYQHFKHLSH-WCQYABFASA-N 1 0 318.377 1.803 20 5 DDBDRO Cc1cc(S(=O)(=O)N(C)[C@H](C)C[NH3+])c(C)cc1[N+](=O)[O-] ZINC000580903483 421860993 /nfs/dbraw/zinc/86/09/93/421860993.db2.gz UYEZXESZTZAGLO-SNVBAGLBSA-N 1 0 301.368 1.179 20 5 DDBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000594360255 422346002 /nfs/dbraw/zinc/34/60/02/422346002.db2.gz LWADTVMDQFOPTC-JTQLQIEISA-N 1 0 309.370 1.422 20 5 DDBDRO O=[N+]([O-])c1cccnc1N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000575762351 422325424 /nfs/dbraw/zinc/32/54/24/422325424.db2.gz QVGBNVRDCXGIEC-CYBMUJFWSA-N 1 0 306.366 1.681 20 5 DDBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000600271913 422409714 /nfs/dbraw/zinc/40/97/14/422409714.db2.gz JZBAJWASLKPXID-SECBINFHSA-N 1 0 307.306 1.148 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000577721616 422412672 /nfs/dbraw/zinc/41/26/72/422412672.db2.gz VSCQZTXEYUUGEJ-GPCCPHFNSA-N 1 0 307.350 1.720 20 5 DDBDRO COC(=O)CN(C)C(=O)CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000341590218 271130757 /nfs/dbraw/zinc/13/07/57/271130757.db2.gz UUAVADFLCQHBQT-NSHDSACASA-N 1 0 323.349 1.267 20 5 DDBDRO C[NH2+]C[C@H]1CCCN1Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000347032195 272605593 /nfs/dbraw/zinc/60/55/93/272605593.db2.gz ZERORDGCVZGLPZ-GFCCVEGCSA-N 1 0 309.366 1.796 20 5 DDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000178949856 273771112 /nfs/dbraw/zinc/77/11/12/273771112.db2.gz GHILPWQYEOVCPQ-GFCCVEGCSA-N 1 0 313.379 1.140 20 5 DDBDRO COc1ccc(OCCN2CC[C@@](C)(C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000261626996 274116247 /nfs/dbraw/zinc/11/62/47/274116247.db2.gz FBJFOODRHPQUIH-HNNXBMFYSA-N 1 0 309.366 1.653 20 5 DDBDRO C[C@@H](CCC[NH3+])NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000313674136 274208361 /nfs/dbraw/zinc/20/83/61/274208361.db2.gz NWDWQZMGTLAAOZ-QMMMGPOBSA-N 1 0 321.786 1.654 20 5 DDBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000286647695 274438614 /nfs/dbraw/zinc/43/86/14/274438614.db2.gz BOHVDUBEHJGORS-IAQYHMDHSA-N 1 0 318.377 1.876 20 5 DDBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[NH+](C2CCOCC2)CC1 ZINC000176742076 274724353 /nfs/dbraw/zinc/72/43/53/274724353.db2.gz ZKKYOCFRHCXCFQ-UHFFFAOYSA-N 1 0 306.366 1.599 20 5 DDBDRO C[N@@H+]1CCC[C@H]1CNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000266693386 277080055 /nfs/dbraw/zinc/08/00/55/277080055.db2.gz FIZNFKSRMGEBJX-ZDUSSCGKSA-N 1 0 306.366 1.531 20 5 DDBDRO C[C@@H](C[NH3+])CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000237388948 277569985 /nfs/dbraw/zinc/56/99/85/277569985.db2.gz SFKGURJITNMRPV-NSHDSACASA-N 1 0 306.366 1.520 20 5 DDBDRO COc1ccc(CNC(=O)N[C@H]2CCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000417198272 277896091 /nfs/dbraw/zinc/89/60/91/277896091.db2.gz QXNIPYONECKWID-RYUDHWBXSA-N 1 0 322.365 1.673 20 5 DDBDRO C[C@@]1(C[NH3+])CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000261724557 278121683 /nfs/dbraw/zinc/12/16/83/278121683.db2.gz QMWZZTMEFOEVPF-LBPRGKRZSA-N 1 0 317.342 1.093 20 5 DDBDRO C[C@@H]([NH3+])CN1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000420367651 278308982 /nfs/dbraw/zinc/30/89/82/278308982.db2.gz HHQBTQLWHPKGAC-LLVKDONJSA-N 1 0 318.381 1.330 20 5 DDBDRO C[C@@H]([NH2+]CC(=O)NC(=O)NC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000180434793 278338536 /nfs/dbraw/zinc/33/85/36/278338536.db2.gz YKXDVIOMBYDKBE-SNVBAGLBSA-N 1 0 322.365 1.870 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)C(C)(C)C[NH+]1CCCC1 ZINC000416095410 279109230 /nfs/dbraw/zinc/10/92/30/279109230.db2.gz BSIYWHBPPAEETI-UHFFFAOYSA-N 1 0 323.397 1.433 20 5 DDBDRO CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000451106986 279484716 /nfs/dbraw/zinc/48/47/16/279484716.db2.gz QTVPMTNOIBEZHL-VHSXEESVSA-N 1 0 308.338 1.480 20 5 DDBDRO CN(CC[NH+]1CCCC1)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000089899688 281027673 /nfs/dbraw/zinc/02/76/73/281027673.db2.gz JPWTYQAVBAATLH-UHFFFAOYSA-N 1 0 306.366 1.561 20 5 DDBDRO C[NH+](C)[C@H](CNC(=O)CCNc1ccccc1[N+](=O)[O-])C1CC1 ZINC000125973960 281221953 /nfs/dbraw/zinc/22/19/53/281221953.db2.gz VXSIAOFLHTYMLD-OAHLLOKOSA-N 1 0 320.393 1.853 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000126192418 281230005 /nfs/dbraw/zinc/23/00/05/281230005.db2.gz IDYBZAXHVDHXGW-LBPRGKRZSA-N 1 0 323.397 1.480 20 5 DDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1F)N[C@H]1CCc2[nH]cnc2C1 ZINC000357972101 299037512 /nfs/dbraw/zinc/03/75/12/299037512.db2.gz HZQPWHBNDBSDOH-JTQLQIEISA-N 1 0 318.308 1.673 20 5 DDBDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1c1c([N+](=O)[O-])ncn1C ZINC000362659117 300111551 /nfs/dbraw/zinc/11/15/51/300111551.db2.gz UVQJIEWVWTXZFE-LLVKDONJSA-N 1 0 309.370 1.018 20 5 DDBDRO O=C(NC1CC[NH+](CCc2ccccc2)CC1)[C@H]1C[C@@H]1[N+](=O)[O-] ZINC000363305885 300248769 /nfs/dbraw/zinc/24/87/69/300248769.db2.gz UNPPXEBNRRDBIT-HOTGVXAUSA-N 1 0 317.389 1.475 20 5 DDBDRO COc1ccc(C(=O)N2CC[C@]3(CCC[C@@H]3[NH3+])C2)cc1[N+](=O)[O-] ZINC000364256164 300363898 /nfs/dbraw/zinc/36/38/98/300363898.db2.gz KMGKSDUNTDPLNB-GOEBONIOSA-N 1 0 319.361 1.947 20 5 DDBDRO O=C1CC[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)[C@@H](C2CC2)N1 ZINC000367465103 300849623 /nfs/dbraw/zinc/84/96/23/300849623.db2.gz YCRRMSWCFOQJDA-GOEBONIOSA-N 1 0 303.362 1.784 20 5 DDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000367648920 300868194 /nfs/dbraw/zinc/86/81/94/300868194.db2.gz NTVCAGZCJJTACO-SNVBAGLBSA-N 1 0 304.350 1.534 20 5 DDBDRO COc1cccc(N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c1[N+](=O)[O-] ZINC000368384981 301016173 /nfs/dbraw/zinc/01/61/73/301016173.db2.gz ZGAYGMFJCYUWLL-JSGCOSHPSA-N 1 0 321.377 1.639 20 5 DDBDRO C[C@@H](CN1CCOCC1)[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369019288 301120110 /nfs/dbraw/zinc/12/01/10/301120110.db2.gz XLGWVRMUWQDWJT-UONOGXRCSA-N 1 0 323.397 1.149 20 5 DDBDRO Cc1cc(S(=O)(=O)N2CC[NH2+][C@@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000262786321 301387097 /nfs/dbraw/zinc/38/70/97/301387097.db2.gz QMLARHRTXPHLEL-QWRGUYRKSA-N 1 0 313.379 1.274 20 5 DDBDRO COCC[C@@]1(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC[NH2+]C1 ZINC000377150842 302147620 /nfs/dbraw/zinc/14/76/20/302147620.db2.gz HYYNOMVQVMKMQT-HNNXBMFYSA-N 1 0 307.350 1.858 20 5 DDBDRO C[N@@H+]1C[C@H](NC(=O)c2[nH]ncc2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC000378310172 302310382 /nfs/dbraw/zinc/31/03/82/302310382.db2.gz UHKFMKLURDJEOO-RYUDHWBXSA-N 1 0 315.333 1.146 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[NH2+][C@H](C)C1 ZINC000420334607 302383201 /nfs/dbraw/zinc/38/32/01/302383201.db2.gz JJPPRWWYHJOVPV-GFCCVEGCSA-N 1 0 306.366 1.526 20 5 DDBDRO CC(C)Oc1nc(N2CC[C@@H]3C[NH2+]C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000516191006 302786515 /nfs/dbraw/zinc/78/65/15/302786515.db2.gz AGUAOWITURZWBO-NEPJUHHUSA-N 1 0 306.366 1.823 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000520778125 302867319 /nfs/dbraw/zinc/86/73/19/302867319.db2.gz ZFDPPBAMEGXEJA-GFCCVEGCSA-N 1 0 306.366 1.634 20 5 DDBDRO Cc1c(NC(=O)c2cn(CCC[NH3+])nn2)cccc1[N+](=O)[O-] ZINC000521424929 302873699 /nfs/dbraw/zinc/87/36/99/302873699.db2.gz RKKIYDOKQDQMPZ-UHFFFAOYSA-N 1 0 304.310 1.096 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)C1CCOCC1 ZINC000532988761 303303656 /nfs/dbraw/zinc/30/36/56/303303656.db2.gz ZPMCRSCGYXDCBZ-UHFFFAOYSA-N 1 0 307.350 1.953 20 5 DDBDRO COC[C@@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C(C)C ZINC000541595727 303424479 /nfs/dbraw/zinc/42/44/79/303424479.db2.gz XQWLZJSXKUHUEZ-UKRRQHHQSA-N 1 0 312.366 1.595 20 5 DDBDRO C[C@@H](C[NH+]1CCOCC1)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000544040114 303468267 /nfs/dbraw/zinc/46/82/67/303468267.db2.gz IOLAUOWVOUMBSQ-LBPRGKRZSA-N 1 0 307.350 1.179 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@@H]2CCCOC2)c1 ZINC000559604912 303792537 /nfs/dbraw/zinc/79/25/37/303792537.db2.gz GOWLWBJCQYMFCG-GXTWGEPZSA-N 1 0 310.350 1.351 20 5 DDBDRO Cn1c(C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000359667694 306959751 /nfs/dbraw/zinc/95/97/51/306959751.db2.gz PKNSUPUVGQHADN-CYBMUJFWSA-N 1 0 320.393 1.881 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCC(C(F)F)CC2)c1 ZINC000361694738 307003269 /nfs/dbraw/zinc/00/32/69/307003269.db2.gz ZMGHIHTWWJREFQ-NSHDSACASA-N 1 0 304.297 1.129 20 5 DDBDRO C[C@@H]1C[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@@H]1CO ZINC000362089714 307013868 /nfs/dbraw/zinc/01/38/68/307013868.db2.gz VLDCSMQGTXSQKD-ZYHUDNBSSA-N 1 0 318.333 1.705 20 5 DDBDRO Cc1cc(C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c(N)c([N+](=O)[O-])c1 ZINC000365182778 307060701 /nfs/dbraw/zinc/06/07/01/307060701.db2.gz IQJICXBJMOYVQU-RYUDHWBXSA-N 1 0 318.377 1.842 20 5 DDBDRO Cc1ccn(C2CC[NH+](CCn3cc([N+](=O)[O-])cn3)CC2)n1 ZINC000366111456 307067805 /nfs/dbraw/zinc/06/78/05/307067805.db2.gz YIHITZSIWRJUEP-UHFFFAOYSA-N 1 0 304.354 1.633 20 5 DDBDRO Cn1nccc1CC[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000367251989 307089881 /nfs/dbraw/zinc/08/98/81/307089881.db2.gz KGQMPTCMFRULJQ-ZDUSSCGKSA-N 1 0 304.354 1.404 20 5 DDBDRO CNC(=O)CN1CCCN(Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000367423454 307092938 /nfs/dbraw/zinc/09/29/38/307092938.db2.gz SPWAPIZGZFLTRL-UHFFFAOYSA-N 1 0 320.393 1.157 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CC[C@](O)(C3CC3)C2)c1 ZINC000373907797 307198018 /nfs/dbraw/zinc/19/80/18/307198018.db2.gz GQMQEIDHNYGMMN-GDBMZVCRSA-N 1 0 322.361 1.181 20 5 DDBDRO C[NH+]1CCC(N2CC[C@H](Nc3ncc([N+](=O)[O-])s3)C2)CC1 ZINC000374422490 307208175 /nfs/dbraw/zinc/20/81/75/307208175.db2.gz KDFYPZOKTPIHFU-JTQLQIEISA-N 1 0 311.411 1.632 20 5 DDBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000375063177 307218073 /nfs/dbraw/zinc/21/80/73/307218073.db2.gz CRJRFJKRRBMGQI-JQWIXIFHSA-N 1 0 311.313 1.132 20 5 DDBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1cccc([N+](=O)[O-])c1N ZINC000376448422 307244187 /nfs/dbraw/zinc/24/41/87/307244187.db2.gz MUSKBWKDLBWMHO-WCQYABFASA-N 1 0 318.377 1.876 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000376600329 307249111 /nfs/dbraw/zinc/24/91/11/307249111.db2.gz QWGKCYSJGSTPEE-UHFFFAOYSA-N 1 0 321.381 1.233 20 5 DDBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3C[C@@H](O)C[C@@H]3CO)o2)cc1 ZINC000376897807 307258332 /nfs/dbraw/zinc/25/83/32/307258332.db2.gz STXIZYIYLVVILL-KGLIPLIRSA-N 1 0 318.329 1.782 20 5 DDBDRO O=C(c1c[nH]nc1[N+](=O)[O-])N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000548419907 307767948 /nfs/dbraw/zinc/76/79/48/307767948.db2.gz IWVZJBDEJNRILK-LLVKDONJSA-N 1 0 307.354 1.266 20 5 DDBDRO C[C@H]([NH3+])C1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000565706211 308037504 /nfs/dbraw/zinc/03/75/04/308037504.db2.gz YKNIBRVTZWUDTI-NSHDSACASA-N 1 0 306.366 1.864 20 5 DDBDRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000567667453 308088658 /nfs/dbraw/zinc/08/86/58/308088658.db2.gz LWHDKIQYGYDOLR-CABZTGNLSA-N 1 0 321.333 1.094 20 5 DDBDRO COc1ccc(CC(=O)N[C@](C)(C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000567669092 308089077 /nfs/dbraw/zinc/08/90/77/308089077.db2.gz GZCBNFHMFXYCLN-OAHLLOKOSA-N 1 0 307.350 1.390 20 5 DDBDRO COc1ccc(CC(=O)N2CC[NH2+][C@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000567915694 308099541 /nfs/dbraw/zinc/09/95/41/308099541.db2.gz DOTVVMYDAKMFKQ-MNOVXSKESA-N 1 0 307.350 1.355 20 5 DDBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCCn1cc(CO)nn1 ZINC000569866820 308152016 /nfs/dbraw/zinc/15/20/16/308152016.db2.gz AKHGRYLIXRVMHH-CQSZACIVSA-N 1 0 317.349 1.346 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000570139122 308160285 /nfs/dbraw/zinc/16/02/85/308160285.db2.gz NVEPZCPCONQLRG-UHFFFAOYSA-N 1 0 306.366 1.538 20 5 DDBDRO O=C([C@H]1CCCC[NH2+]1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000570633163 308174099 /nfs/dbraw/zinc/17/40/99/308174099.db2.gz GRNBNPDVNWBVER-GFCCVEGCSA-N 1 0 307.354 1.097 20 5 DDBDRO CCc1cc(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)on1 ZINC000573713583 308250171 /nfs/dbraw/zinc/25/01/71/308250171.db2.gz ZCLOVSLCDNRYCA-ZDUSSCGKSA-N 1 0 321.333 1.675 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)n1 ZINC000578055269 308433521 /nfs/dbraw/zinc/43/35/21/308433521.db2.gz UDPUMUZFEKGWAB-OCCSQVGLSA-N 1 0 306.366 1.631 20 5 DDBDRO Cc1cc(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)ccc1Cl ZINC000578880575 308491949 /nfs/dbraw/zinc/49/19/49/308491949.db2.gz GXVREFBDOAPILS-CYBMUJFWSA-N 1 0 324.768 1.904 20 5 DDBDRO Cc1ccc(S(=O)(=O)N[C@H]2CC[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000382455456 325745091 /nfs/dbraw/zinc/74/50/91/325745091.db2.gz ITDWIVGONGLNTN-QWRGUYRKSA-N 1 0 313.379 1.309 20 5 DDBDRO Cc1ccccc1CC[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000387880044 325768187 /nfs/dbraw/zinc/76/81/87/325768187.db2.gz AWRYYUFZZDLERM-HNNXBMFYSA-N 1 0 304.350 1.293 20 5 DDBDRO O=c1c([N+](=O)[O-])cc(Br)cn1CC[C@H]1CC[NH2+]C1 ZINC000582060788 325962372 /nfs/dbraw/zinc/96/23/72/325962372.db2.gz FIEXBMPBYAJLPC-MRVPVSSYSA-N 1 0 316.155 1.519 20 5 DDBDRO CC[N@H+](C)C[C@@H](O)CN(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000582367943 326020840 /nfs/dbraw/zinc/02/08/40/326020840.db2.gz NJISUZKRKDJBQY-OAHLLOKOSA-N 1 0 307.394 1.872 20 5 DDBDRO Cc1c(NC(=O)CC[N@H+]2CC[C@H](CO)[C@H]2C)cccc1[N+](=O)[O-] ZINC000488809132 484220460 /nfs/dbraw/zinc/22/04/60/484220460.db2.gz SXAZSOFZCYXMOS-CHWSQXEVSA-N 1 0 321.377 1.935 20 5 DDBDRO CNc1c(C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000360954387 500785882 /nfs/dbraw/zinc/78/58/82/500785882.db2.gz MMZGEIXVVCUSKK-WDEREUQCSA-N 1 0 318.377 1.992 20 5 DDBDRO COc1cc(C[N@@H+]2CC[C@]3(CNC(=O)C3)C2)ccc1[N+](=O)[O-] ZINC000434749435 533825686 /nfs/dbraw/zinc/82/56/86/533825686.db2.gz RYOVJDIJSPTPEN-HNNXBMFYSA-N 1 0 305.334 1.315 20 5 DDBDRO C[C@H]([NH2+]CC1(CO)CCOCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294681481 533834142 /nfs/dbraw/zinc/83/41/42/533834142.db2.gz IEDWPIIYRWQYRB-NSHDSACASA-N 1 0 309.366 1.617 20 5 DDBDRO C[C@@H](CNC(=O)CN(C)c1ccccc1[N+](=O)[O-])C[NH+](C)C ZINC000292355633 533895986 /nfs/dbraw/zinc/89/59/86/533895986.db2.gz LFNCBTYHIISNFE-LBPRGKRZSA-N 1 0 308.382 1.345 20 5 DDBDRO C[C@@H]1OCC[C@@]1(C)[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000494281623 534186365 /nfs/dbraw/zinc/18/63/65/534186365.db2.gz GMFVBMFRWSYBIV-MEDUHNTESA-N 1 0 319.361 1.641 20 5 DDBDRO CC[C@@H]([NH3+])CNC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000295198987 517770000 /nfs/dbraw/zinc/77/00/00/517770000.db2.gz JZDDCPMPYFXMJO-SECBINFHSA-N 1 0 310.310 1.587 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000415584927 534337462 /nfs/dbraw/zinc/33/74/62/534337462.db2.gz XCOWLSHUGCQPHP-QWRGUYRKSA-N 1 0 320.349 1.037 20 5 DDBDRO O=[N+]([O-])c1ccc2ccnc(N3CC[NH+](CCCO)CC3)c2c1 ZINC000413110505 534884984 /nfs/dbraw/zinc/88/49/84/534884984.db2.gz UYASAIMZDAXMOT-UHFFFAOYSA-N 1 0 316.361 1.647 20 5 DDBDRO O=C(N[C@@H]1CCC[N@@H+](C2CCCCC2)C1)c1[nH]ncc1[N+](=O)[O-] ZINC000154597613 526891832 /nfs/dbraw/zinc/89/18/32/526891832.db2.gz IDWQGOLMSMBWTE-LLVKDONJSA-N 1 0 321.381 1.845 20 5 DDBDRO CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000451783893 527853928 /nfs/dbraw/zinc/85/39/28/527853928.db2.gz NALRXQBTJHPFHP-OLZOCXBDSA-N 1 0 323.349 1.078 20 5 DDBDRO CCC[NH2+]CCNC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000418491665 528489374 /nfs/dbraw/zinc/48/93/74/528489374.db2.gz SLEDGROSBHXERN-UHFFFAOYSA-N 1 0 322.365 1.498 20 5 DDBDRO CC(C)[C@H](C(=O)NCCNc1ccc([N+](=O)[O-])cc1)[C@H](C)[NH3+] ZINC000422931660 528918433 /nfs/dbraw/zinc/91/84/33/528918433.db2.gz CHGWEIZDJIZCJU-FZMZJTMJSA-N 1 0 308.382 1.742 20 5 DDBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C[C@@H]1[NH+](C)C ZINC000820774423 606803778 /nfs/dbraw/zinc/80/37/78/606803778.db2.gz CMGXGCBXXNLHJA-RNCFNFMXSA-N 1 0 317.353 1.161 20 5 DDBDRO C[NH+]1CCC(CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000101522754 696607350 /nfs/dbraw/zinc/60/73/50/696607350.db2.gz FYIPMXXHIDBZEZ-UHFFFAOYSA-N 1 0 322.321 1.575 20 5 DDBDRO CC[NH2+]CCCNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000157643413 696980086 /nfs/dbraw/zinc/98/00/86/696980086.db2.gz CEKOYRNHLKWSBB-UHFFFAOYSA-N 1 0 305.331 1.012 20 5 DDBDRO COc1ccccc1OCC[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000157742441 696981051 /nfs/dbraw/zinc/98/10/51/696981051.db2.gz QBIVRAIMCXIKFF-UHFFFAOYSA-N 1 0 320.349 1.811 20 5 DDBDRO O=[N+]([O-])c1ccnn1CN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000157907008 696982566 /nfs/dbraw/zinc/98/25/66/696982566.db2.gz QSWSDVLYGBYIRR-OCCSQVGLSA-N 1 0 305.382 1.698 20 5 DDBDRO COc1cc(C[NH2+]C[C@@](C)(O)c2ccco2)c([N+](=O)[O-])cc1O ZINC000174529548 697389599 /nfs/dbraw/zinc/38/95/99/697389599.db2.gz KDCRGVDVWHWIBT-OAHLLOKOSA-N 1 0 322.317 1.899 20 5 DDBDRO CC(C)[C@H](C(=O)OCCn1cc([N+](=O)[O-])cn1)[NH+]1CCCCC1 ZINC000177793192 697417612 /nfs/dbraw/zinc/41/76/12/697417612.db2.gz ONZRPAKTTAJEPM-CQSZACIVSA-N 1 0 324.381 1.845 20 5 DDBDRO C[C@H](CN1CCCC1=O)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776278221 698091325 /nfs/dbraw/zinc/09/13/25/698091325.db2.gz SJBCAGWSNDFKAS-RISCZKNCSA-N 1 0 307.350 1.229 20 5 DDBDRO COc1cc(N2CC[NH+](CCCCO)CC2)ccc1[N+](=O)[O-] ZINC000750180942 700208199 /nfs/dbraw/zinc/20/81/99/700208199.db2.gz QEOHIZLUBJYJHK-UHFFFAOYSA-N 1 0 309.366 1.498 20 5 DDBDRO Nc1ncc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)s1 ZINC000262012312 698450320 /nfs/dbraw/zinc/45/03/20/698450320.db2.gz MIWMKIZPVAIMNE-UHFFFAOYSA-N 1 0 308.367 1.667 20 5 DDBDRO CN1CCN(C)[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000783628726 698861655 /nfs/dbraw/zinc/86/16/55/698861655.db2.gz LSDHOPSENFJARQ-LBPRGKRZSA-N 1 0 312.801 1.584 20 5 DDBDRO COc1cc(CN2CC[C@]3(CCC[NH2+]3)C2)c([N+](=O)[O-])cc1OC ZINC000415141844 699129273 /nfs/dbraw/zinc/12/92/73/699129273.db2.gz XXGJISNHHYLQBO-MRXNPFEDSA-N 1 0 321.377 1.940 20 5 DDBDRO C[NH+](C)C[C@H](O)CNc1c(Br)cccc1[N+](=O)[O-] ZINC000717299317 699287099 /nfs/dbraw/zinc/28/70/99/699287099.db2.gz QCLLUPSGASFHOD-MRVPVSSYSA-N 1 0 318.171 1.692 20 5 DDBDRO Cc1cc(C(=O)N2CCC3(C[NH+](C)C3)C2)c(N)c([N+](=O)[O-])c1 ZINC000788203931 699290394 /nfs/dbraw/zinc/29/03/94/699290394.db2.gz YGZCUJFYMHXMSU-UHFFFAOYSA-N 1 0 304.350 1.263 20 5 DDBDRO O=[N+]([O-])c1c(N2CC[C@@H]([NH+]3CCCC3)C2)nc2ccccn21 ZINC000727112911 699401527 /nfs/dbraw/zinc/40/15/27/699401527.db2.gz BPWLVCJHMCNYQO-GFCCVEGCSA-N 1 0 301.350 1.917 20 5 DDBDRO CC(C)[N@@H+]1CCO[C@@H](COC(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000789773062 699407808 /nfs/dbraw/zinc/40/78/08/699407808.db2.gz OFDHXLDMPNYZQZ-OAHLLOKOSA-N 1 0 322.361 1.790 20 5 DDBDRO C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000741720105 699849102 /nfs/dbraw/zinc/84/91/02/699849102.db2.gz DZIJVNBNCURBSR-MWLCHTKSSA-N 1 0 322.321 1.716 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC12CC[NH+](C)CC2 ZINC000742185962 699863966 /nfs/dbraw/zinc/86/39/66/699863966.db2.gz NPSNVOVHNSUFTE-UHFFFAOYSA-N 1 0 321.381 1.187 20 5 DDBDRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(Cn2cc([N+](=O)[O-])cn2)C1 ZINC000743375608 699909789 /nfs/dbraw/zinc/90/97/89/699909789.db2.gz IUQLOXWXVRYZHP-OAHLLOKOSA-N 1 0 315.377 1.955 20 5 DDBDRO CN(C)c1ccc(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000756026410 700599418 /nfs/dbraw/zinc/59/94/18/700599418.db2.gz WSMHMOCFYVHZNQ-HNNXBMFYSA-N 1 0 316.361 1.879 20 5 DDBDRO COC(=O)C1CCC([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000756036986 700600437 /nfs/dbraw/zinc/60/04/37/700600437.db2.gz RAGSEAQLHVAIPS-PIMMBPRGSA-N 1 0 322.361 1.950 20 5 DDBDRO O=C(C[NH2+][C@@H](CO)C1CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000763070405 700923959 /nfs/dbraw/zinc/92/39/59/700923959.db2.gz PLZFDMNULXGPHM-NSHDSACASA-N 1 0 313.741 1.547 20 5 DDBDRO Cc1ccc(O)c(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)n1 ZINC000809735927 701684100 /nfs/dbraw/zinc/68/41/00/701684100.db2.gz AIIPFOZVJFMRDX-UHFFFAOYSA-N 1 0 302.334 1.969 20 5 DDBDRO C[N@H+](CCc1cnccn1)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000770661351 701288745 /nfs/dbraw/zinc/28/87/45/701288745.db2.gz IJBLHUZXGNUKLJ-UHFFFAOYSA-N 1 0 312.333 1.867 20 5 DDBDRO CC[NH+](CC)CCOC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000772079675 701343131 /nfs/dbraw/zinc/34/31/31/701343131.db2.gz BTVPBAWJSAXHRP-UHFFFAOYSA-N 1 0 324.333 1.865 20 5 DDBDRO NC(=O)C[C@H]1CC[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000808227730 701509454 /nfs/dbraw/zinc/50/94/54/701509454.db2.gz CVNTUCVBWQKXFN-SNVBAGLBSA-N 1 0 303.322 1.099 20 5 DDBDRO C[N@H+]1C[C@H]2CN(C(=O)Cc3cccc(F)c3[N+](=O)[O-])C[C@H]2C1 ZINC000867873613 701806014 /nfs/dbraw/zinc/80/60/14/701806014.db2.gz KBADVLVFPHRIQS-TXEJJXNPSA-N 1 0 307.325 1.296 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@H]2[C@@H](O)c2ccccc2)n1 ZINC000879244225 706627209 /nfs/dbraw/zinc/62/72/09/706627209.db2.gz PHSWNPLSDZTMLH-HOCLYGCPSA-N 1 0 316.361 1.989 20 5 DDBDRO C[NH+](C)C[C@H](O)CNc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000840242436 702039812 /nfs/dbraw/zinc/03/98/12/702039812.db2.gz VQTFEDJPZMGZQX-MRVPVSSYSA-N 1 0 308.260 1.343 20 5 DDBDRO Cc1ccc(CNC(=O)NCC[N@@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000868363940 702086645 /nfs/dbraw/zinc/08/66/45/702086645.db2.gz ANMBWGOMGJNCHL-UHFFFAOYSA-N 1 0 306.366 1.797 20 5 DDBDRO C[C@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000840458601 702117158 /nfs/dbraw/zinc/11/71/58/702117158.db2.gz CVGROMQSKOONJR-PMOUVXMZSA-N 1 0 303.362 1.431 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3c(F)cccc3[N+](=O)[O-])C[C@@H]2C1 ZINC000868450301 702135321 /nfs/dbraw/zinc/13/53/21/702135321.db2.gz CIVGFZKTGKXTLZ-MNOVXSKESA-N 1 0 307.325 1.758 20 5 DDBDRO C[N@@H+]1CC[C@H]2CN(c3ccc4ncc([N+](=O)[O-])n4n3)CC[C@H]21 ZINC000866205263 706647867 /nfs/dbraw/zinc/64/78/67/706647867.db2.gz KSZXBAMMVLAMDL-WDEREUQCSA-N 1 0 302.338 1.168 20 5 DDBDRO C[N@@H+]1CC[C@H]2CN(c3ccc([N+](=O)[O-])c4nonc43)CC[C@H]21 ZINC000866207005 706648447 /nfs/dbraw/zinc/64/84/47/706648447.db2.gz NUVVZLLYSJTWOX-VHSXEESVSA-N 1 0 303.322 1.661 20 5 DDBDRO CN1CC[NH+](C2CCN(c3ccc([N+](=O)[O-])s3)CC2)CC1 ZINC000866214024 706650783 /nfs/dbraw/zinc/65/07/83/706650783.db2.gz GQGJOXSOVJIAAG-UHFFFAOYSA-N 1 0 310.423 1.873 20 5 DDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C[C@@H]1CCC[N@@H+]1C ZINC000817131724 702281692 /nfs/dbraw/zinc/28/16/92/702281692.db2.gz MGMGJLOLNOMNHO-LBPRGKRZSA-N 1 0 306.366 1.485 20 5 DDBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000831217913 706659983 /nfs/dbraw/zinc/65/99/83/706659983.db2.gz OAEBDBWJIQBWQK-BXUZGUMPSA-N 1 0 309.753 1.864 20 5 DDBDRO CO[C@H](C[NH3+])CC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000831217621 706660110 /nfs/dbraw/zinc/66/01/10/706660110.db2.gz DAQKDDVJYWADOF-JTQLQIEISA-N 1 0 301.730 1.228 20 5 DDBDRO CN(Cc1c(Br)cccc1[N+](=O)[O-])C[C@H](O)C[NH3+] ZINC000841091718 702342152 /nfs/dbraw/zinc/34/21/52/702342152.db2.gz DOZYYYRYNIPVGM-MRVPVSSYSA-N 1 0 318.171 1.109 20 5 DDBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H](CO)c1cnn(C)c1 ZINC000866310963 706670617 /nfs/dbraw/zinc/67/06/17/706670617.db2.gz HPIAFCDOPFTEGC-IINYFYTJSA-N 1 0 322.340 1.722 20 5 DDBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N[C@@H]1CCC[NH2+]C1 ZINC000841857388 702590263 /nfs/dbraw/zinc/59/02/63/702590263.db2.gz XLLGCHCEABQOAL-SNVBAGLBSA-N 1 0 312.757 1.799 20 5 DDBDRO C[C@@]1(c2nc(CCNc3ccccc3[N+](=O)[O-])no2)CC[NH2+]C1 ZINC000843184728 702835749 /nfs/dbraw/zinc/83/57/49/702835749.db2.gz IUFDXPRCRSIPIM-OAHLLOKOSA-N 1 0 317.349 1.883 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2C[C@@H](C[NH3+])C[C@H]2C)cc1[N+](=O)[O-] ZINC000843453201 702885189 /nfs/dbraw/zinc/88/51/89/702885189.db2.gz CLIGZSCQTAEVSC-PSASIEDQSA-N 1 0 322.321 1.621 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000843469566 702888164 /nfs/dbraw/zinc/88/81/64/702888164.db2.gz NIVPFRYIYDVBIA-WDEREUQCSA-N 1 0 322.321 1.811 20 5 DDBDRO Cc1cc(C(=O)N[C@H]2CC[NH2+]C3(CCC3)C2)c(N)c([N+](=O)[O-])c1 ZINC000843505031 702896469 /nfs/dbraw/zinc/89/64/69/702896469.db2.gz UJMIIPPJTDCRSF-NSHDSACASA-N 1 0 318.377 1.890 20 5 DDBDRO Cc1c(C(=O)N[C@H](C)C[C@H](C)[NH3+])cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000843509613 702897054 /nfs/dbraw/zinc/89/70/54/702897054.db2.gz ZNPAGHYWWXVKEW-JGVFFNPUSA-N 1 0 324.337 1.975 20 5 DDBDRO O=C(N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)[C@@]1(F)CC[NH2+]C1 ZINC000831486588 706717467 /nfs/dbraw/zinc/71/74/67/706717467.db2.gz VLJRINJZQZZNOL-OAHLLOKOSA-N 1 0 307.325 1.787 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844459230 703034239 /nfs/dbraw/zinc/03/42/39/703034239.db2.gz QVQLWFUHUVBVCS-MXWKQRLJSA-N 1 0 314.288 1.531 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1OS(=O)(=O)CC1([NH+](C)C)CC1 ZINC000866517798 706718433 /nfs/dbraw/zinc/71/84/33/706718433.db2.gz MYXYZPQLQYUGIR-UHFFFAOYSA-N 1 0 314.363 1.706 20 5 DDBDRO CCN1C[C@H](C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1=O ZINC000846210586 703251170 /nfs/dbraw/zinc/25/11/70/703251170.db2.gz ZILPNMVLRJLBNA-MNOVXSKESA-N 1 0 306.366 1.696 20 5 DDBDRO C[C@H]1CCC[N@@H+]1CCNC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000846636980 703305962 /nfs/dbraw/zinc/30/59/62/703305962.db2.gz AFPLGTKOLADWOO-NSHDSACASA-N 1 0 309.341 1.877 20 5 DDBDRO CNc1nccc(C(=O)N[C@H](C[NH+](C)C)C(C)C)c1[N+](=O)[O-] ZINC000847489772 703426511 /nfs/dbraw/zinc/42/65/11/703426511.db2.gz SMOJBLHGHVNSRX-LLVKDONJSA-N 1 0 309.370 1.348 20 5 DDBDRO COc1cccc([N+](=O)[O-])c1NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000848659580 703572900 /nfs/dbraw/zinc/57/29/00/703572900.db2.gz MPSLQAVJWCFHTJ-NEPJUHHUSA-N 1 0 307.350 1.879 20 5 DDBDRO CO[C@H](C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCOC1 ZINC000849328413 703635767 /nfs/dbraw/zinc/63/57/67/703635767.db2.gz ZMEBIKTUBPBNTK-BPLDGKMQSA-N 1 0 310.350 1.269 20 5 DDBDRO O=C1CC[C@@H](C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)O1 ZINC000851844327 703868839 /nfs/dbraw/zinc/86/88/39/703868839.db2.gz VVWGGNHIXBTEKE-JQWIXIFHSA-N 1 0 306.322 1.182 20 5 DDBDRO O=C(NCC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000818947064 704031928 /nfs/dbraw/zinc/03/19/28/704031928.db2.gz BZWJLXCERHHTHK-CYBMUJFWSA-N 1 0 319.317 1.241 20 5 DDBDRO CO[C@@]1(CO)CCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000852412703 704037807 /nfs/dbraw/zinc/03/78/07/704037807.db2.gz YDVZQMQTBDHKNW-CABCVRRESA-N 1 0 310.350 1.102 20 5 DDBDRO CC(C)N1CC[C@@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1=O ZINC000819072429 704065348 /nfs/dbraw/zinc/06/53/48/704065348.db2.gz LIWLAENWAZPNHM-KGLIPLIRSA-N 1 0 307.350 1.227 20 5 DDBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@@H](O)Cn2cccn2)c1 ZINC000819149438 704076284 /nfs/dbraw/zinc/07/62/84/704076284.db2.gz JSLQPXAVMNDLCT-GFCCVEGCSA-N 1 0 310.741 1.595 20 5 DDBDRO CS(=O)(=O)CCCC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819382635 704117840 /nfs/dbraw/zinc/11/78/40/704117840.db2.gz PJOPFDGNTSJMCC-CYBMUJFWSA-N 1 0 316.379 1.043 20 5 DDBDRO O=C(COc1ccccc1[N+](=O)[O-])NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000870977537 704188878 /nfs/dbraw/zinc/18/88/78/704188878.db2.gz OLXJRZQIDRXLNM-CLLJXQQHSA-N 1 0 319.361 1.620 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)N2CC[N@H+](C)C(C)(C)CC2)c1[N+](=O)[O-] ZINC000871154820 704232669 /nfs/dbraw/zinc/23/26/69/704232669.db2.gz KHZYTSGFITUGBE-UHFFFAOYSA-N 1 0 323.397 1.998 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000871357225 704273964 /nfs/dbraw/zinc/27/39/64/704273964.db2.gz AOKRMFPNQOYZJG-UHFFFAOYSA-N 1 0 323.397 1.479 20 5 DDBDRO C[NH+](C)C1(C)CCC(NC(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000871361974 704275236 /nfs/dbraw/zinc/27/52/36/704275236.db2.gz UZDAEINZCODKPP-UHFFFAOYSA-N 1 0 306.366 1.983 20 5 DDBDRO CCN(C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C)C1 ZINC000855360251 704480690 /nfs/dbraw/zinc/48/06/90/704480690.db2.gz DFCZGCNYHHGSFU-KGLIPLIRSA-N 1 0 307.350 1.181 20 5 DDBDRO [NH3+]CCCCCCC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000832021152 706827832 /nfs/dbraw/zinc/82/78/32/706827832.db2.gz LGINIDOVQRYVFN-UHFFFAOYSA-N 1 0 323.397 1.864 20 5 DDBDRO C[C@H](C[NH3+])CNC(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857765314 704622245 /nfs/dbraw/zinc/62/22/45/704622245.db2.gz PDWLUFWDGXDEBL-MRVPVSSYSA-N 1 0 303.265 1.277 20 5 DDBDRO Cc1ccc(N2CC(C[NH+]3CCN(C)CC3)C2)c([N+](=O)[O-])c1 ZINC000858612198 704734392 /nfs/dbraw/zinc/73/43/92/704734392.db2.gz ZHMFJUFCKHETKJ-UHFFFAOYSA-N 1 0 304.394 1.587 20 5 DDBDRO C[NH+](C)C1(CNS(=O)(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000867439264 707001470 /nfs/dbraw/zinc/00/14/70/707001470.db2.gz PXXDEFLHNQHTHE-UHFFFAOYSA-N 1 0 305.381 1.029 20 5 DDBDRO COC[C@]1(c2nc(-c3cccc([N+](=O)[O-])c3C)no2)CC[NH2+]C1 ZINC000823270722 705190043 /nfs/dbraw/zinc/19/00/43/705190043.db2.gz VABOPTYCSWFXNH-HNNXBMFYSA-N 1 0 318.333 1.831 20 5 DDBDRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000874850677 705203504 /nfs/dbraw/zinc/20/35/04/705203504.db2.gz VUUDOEHAABRUPN-CABCVRRESA-N 1 0 303.362 1.832 20 5 DDBDRO C[N@H+]1CC=C(CNC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000823968145 705346980 /nfs/dbraw/zinc/34/69/80/705346980.db2.gz LQQULRVXWDDZDC-UHFFFAOYSA-N 1 0 305.338 1.560 20 5 DDBDRO C[C@H](NC(=O)Nc1ccc(N)c([N+](=O)[O-])c1)C1=CC[N@H+](C)CC1 ZINC000823968691 705347006 /nfs/dbraw/zinc/34/70/06/705347006.db2.gz YILNUUOTXZECBL-JTQLQIEISA-N 1 0 319.365 1.949 20 5 DDBDRO CN(CC1C[NH+](C)C1)C(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000825180177 705617369 /nfs/dbraw/zinc/61/73/69/705617369.db2.gz FZWUNVWQOBMZHM-CABCVRRESA-N 1 0 303.362 1.718 20 5 DDBDRO C[NH+](C)[C@H](CNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000825364003 705655379 /nfs/dbraw/zinc/65/53/79/705655379.db2.gz LQOAIOUASJMVEX-ZIAGYGMSSA-N 1 0 307.350 1.085 20 5 DDBDRO CCCN(CC[NH+](C)C)C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825720475 705721649 /nfs/dbraw/zinc/72/16/49/705721649.db2.gz FMPDJVRWBDTTKF-CQSZACIVSA-N 1 0 309.366 1.428 20 5 DDBDRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825776603 705729492 /nfs/dbraw/zinc/72/94/92/705729492.db2.gz JUIRMXGUFHTWHE-DZGCQCFKSA-N 1 0 319.361 1.229 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(N2CCOC3(CC[NH+](C)CC3)C2)n1 ZINC000826772970 705869268 /nfs/dbraw/zinc/86/92/68/705869268.db2.gz HPDVMKYAQXPAMF-UHFFFAOYSA-N 1 0 306.366 1.599 20 5 DDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@H](CO)Cc3ccccc3)C2)c1 ZINC000877037359 705968069 /nfs/dbraw/zinc/96/80/69/705968069.db2.gz OENHYZBANBIAKT-SLTAFYQDSA-N 1 0 316.361 1.688 20 5 DDBDRO C[N@@H+]1CC[C@H]2CN(C(=O)c3cccc([N+](=O)[O-])c3N)CC[C@@H]21 ZINC000827313253 705973520 /nfs/dbraw/zinc/97/35/20/705973520.db2.gz YVPSQBRDAZHKJP-JQWIXIFHSA-N 1 0 304.350 1.343 20 5 DDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@H]3c4ccccc4C[C@H]3O)C2)c1 ZINC000877092964 705980986 /nfs/dbraw/zinc/98/09/86/705980986.db2.gz BTXQZUJXSMHDFZ-TUHYSUIHSA-N 1 0 314.345 1.743 20 5 DDBDRO CC(C)(CCC(=O)NCCCC[N@@H+]1CCC[C@@H]1CO)[N+](=O)[O-] ZINC000827349185 705983069 /nfs/dbraw/zinc/98/30/69/705983069.db2.gz HTEWMFFJSDEHHL-CYBMUJFWSA-N 1 0 315.414 1.175 20 5 DDBDRO C[C@@H](CC[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)[S@](C)=O ZINC000877161467 706002471 /nfs/dbraw/zinc/00/24/71/706002471.db2.gz MAKXUKYZLBULOX-KMVPVODWSA-N 1 0 300.384 1.242 20 5 DDBDRO C[C@@]([NH3+])(C(=O)N[C@@H]1C[C@H]1C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000877221739 706021599 /nfs/dbraw/zinc/02/15/99/706021599.db2.gz RZUAIPGSOZIKNV-FOGDFJRCSA-N 1 0 317.267 1.836 20 5 DDBDRO O=C(COc1ccccc1[N+](=O)[O-])N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877286694 706049067 /nfs/dbraw/zinc/04/90/67/706049067.db2.gz GOLGRZPTFHSDID-RYUDHWBXSA-N 1 0 305.334 1.327 20 5 DDBDRO C[N@H+]1CC=C(CNC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000828544882 706197155 /nfs/dbraw/zinc/19/71/55/706197155.db2.gz IEXSMBSTXJTECC-CQSZACIVSA-N 1 0 305.334 1.006 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)[NH2+][C@H]2CC[C@H]2C2CC2)cc1 ZINC000877831430 706226877 /nfs/dbraw/zinc/22/68/77/706226877.db2.gz TULPHMWIMWXSKU-CAOSSQGBSA-N 1 0 306.362 1.767 20 5 DDBDRO CS[C@H]1CC[C@@H]1[NH2+][C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000877831790 706226896 /nfs/dbraw/zinc/22/68/96/706226896.db2.gz ZDCQTSXYHUQXBY-RFQIPJPRSA-N 1 0 312.391 1.473 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)[NH2+][C@H]2CC[C@@H]2C2CC2)cc1 ZINC000877831432 706227078 /nfs/dbraw/zinc/22/70/78/706227078.db2.gz TULPHMWIMWXSKU-QKPAOTATSA-N 1 0 306.362 1.767 20 5 DDBDRO CC[C@H](C)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC)CC1 ZINC000829243268 706308085 /nfs/dbraw/zinc/30/80/85/706308085.db2.gz AEMJWUXICUFJFM-LBPRGKRZSA-N 1 0 320.393 1.875 20 5 DDBDRO COCC[N@@H+]1CC[C@H](Nc2cc(F)c([N+](=O)[O-])cc2CO)C1 ZINC000865526845 706455201 /nfs/dbraw/zinc/45/52/01/706455201.db2.gz XBCURQBUPLKVAR-NSHDSACASA-N 1 0 313.329 1.359 20 5 DDBDRO [NH3+]C1(CO)CCN(c2ccc([N+](=O)[O-])cc2C(F)F)CC1 ZINC000865539775 706458531 /nfs/dbraw/zinc/45/85/31/706458531.db2.gz WEXCYRQIIKIQJB-UHFFFAOYSA-N 1 0 301.293 1.822 20 5 DDBDRO O=[N+]([O-])c1ccc(OCC[NH+]2CCC(CO)(CO)CC2)cc1 ZINC000879968399 706838394 /nfs/dbraw/zinc/83/83/94/706838394.db2.gz NWVVRGQGVBRCPS-UHFFFAOYSA-N 1 0 310.350 1.040 20 5 DDBDRO CCO[C@@H](CNC(=O)Nc1cc([N+](=O)[O-])ccc1C)C[NH+](C)C ZINC000926826107 712908109 /nfs/dbraw/zinc/90/81/09/712908109.db2.gz WTFLNLAUCUXNSJ-ZDUSSCGKSA-N 1 0 324.381 1.991 20 5 DDBDRO CSC1(CNC(=O)CCC(C)(C)[N+](=O)[O-])CC[NH+](C)CC1 ZINC000832209483 706870978 /nfs/dbraw/zinc/87/09/78/706870978.db2.gz IUICFBCRWNQLLQ-UHFFFAOYSA-N 1 0 317.455 1.766 20 5 DDBDRO O=[N+]([O-])c1ccc(CN2C[C@@H]3CCC[N@H+]3C[C@@H]2CO)c(F)c1 ZINC000880072321 706871034 /nfs/dbraw/zinc/87/10/34/706871034.db2.gz SDUNQPVCIDGBEC-UONOGXRCSA-N 1 0 309.341 1.375 20 5 DDBDRO O=C1CC2(CCC2)N(Cc2cc(F)ccc2[N+](=O)[O-])CCN1 ZINC000880170382 706900062 /nfs/dbraw/zinc/90/00/62/706900062.db2.gz JEWNDHZVMRJHPV-UHFFFAOYSA-N 1 0 307.325 1.979 20 5 DDBDRO Cc1cc(OS(=O)(=O)CCC[NH+](C)C)c(F)cc1[N+](=O)[O-] ZINC000867124003 706903970 /nfs/dbraw/zinc/90/39/70/706903970.db2.gz HUBOMCLYMIUILK-UHFFFAOYSA-N 1 0 320.342 1.703 20 5 DDBDRO CC(=O)N1C[C@@H]2C[N@@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC000880311479 706937559 /nfs/dbraw/zinc/93/75/59/706937559.db2.gz IDPVNZGVHSDACN-LZWOXQAQSA-N 1 0 319.361 1.038 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@@H](c3nccs3)C2)c1 ZINC000880318447 706939502 /nfs/dbraw/zinc/93/95/02/706939502.db2.gz ZEQFUSSTOJCZJY-ZYHUDNBSSA-N 1 0 323.378 1.098 20 5 DDBDRO CO[C@@H]1COCC[C@H]1[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000880428830 706972525 /nfs/dbraw/zinc/97/25/25/706972525.db2.gz SLXGGNNUNXYSAF-HUUCEWRRSA-N 1 0 310.350 1.709 20 5 DDBDRO CC[C@H]1CN(C(=O)c2cc(C)cc([N+](=O)[O-])c2N)CC[C@H]1[NH3+] ZINC000834646368 707098233 /nfs/dbraw/zinc/09/82/33/707098233.db2.gz DXJWLMPVKVUECW-CMPLNLGQSA-N 1 0 306.366 1.685 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000871673824 707164584 /nfs/dbraw/zinc/16/45/84/707164584.db2.gz OTGOLFWAGGOEOH-APPZFPTMSA-N 1 0 320.271 1.143 20 5 DDBDRO Cc1ccc(C[NH2+]C[C@H](O)C[C@@](C)(O)C2CC2)cc1[N+](=O)[O-] ZINC000872231534 707340294 /nfs/dbraw/zinc/34/02/94/707340294.db2.gz MKLLOCLYPHDGLS-GDBMZVCRSA-N 1 0 308.378 1.905 20 5 DDBDRO CCOc1cc(N2C[C@@H]3CCC[N@@H+]3C[C@@H]2CO)ccc1[N+](=O)[O-] ZINC000872758219 707587291 /nfs/dbraw/zinc/58/72/91/707587291.db2.gz UUAYRXLPFXQTNH-UONOGXRCSA-N 1 0 321.377 1.639 20 5 DDBDRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000872779128 707596493 /nfs/dbraw/zinc/59/64/93/707596493.db2.gz MYCHKUCDGUVBFQ-KGLIPLIRSA-N 1 0 304.350 1.367 20 5 DDBDRO O=[N+]([O-])c1ccc(-c2cnn(C[N@@H+]3C[C@@H]4COC[C@@H]4C3)c2)cc1 ZINC000872785308 707600317 /nfs/dbraw/zinc/60/03/17/707600317.db2.gz OXBQGHPVWOVPRJ-GASCZTMLSA-N 1 0 314.345 1.994 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H]1CCc2nnnn2CC1 ZINC000873131995 707742943 /nfs/dbraw/zinc/74/29/43/707742943.db2.gz BZGJSNINDYGKOF-LBPRGKRZSA-N 1 0 316.365 1.693 20 5 DDBDRO Cn1cc(C[NH2+][C@@H](CO)C2CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000883002955 707892444 /nfs/dbraw/zinc/89/24/44/707892444.db2.gz UCIUNBFUTSSAJY-HNNXBMFYSA-N 1 0 316.361 1.856 20 5 DDBDRO C[NH2+]C[C@H]1CCCCN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000883449209 708004886 /nfs/dbraw/zinc/00/48/86/708004886.db2.gz FAUFUXAQMPCLAS-OAHLLOKOSA-N 1 0 320.393 1.997 20 5 DDBDRO COCC[C@@H]([NH3+])C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000884307043 708236081 /nfs/dbraw/zinc/23/60/81/708236081.db2.gz WNSHZANXZUHUQW-CQSZACIVSA-N 1 0 307.350 1.450 20 5 DDBDRO Cc1ccc(NCC[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)nc1 ZINC000897179974 708246229 /nfs/dbraw/zinc/24/62/29/708246229.db2.gz MGTZEHADNYEIHD-UHFFFAOYSA-N 1 0 316.365 1.900 20 5 DDBDRO Nc1ccc([N+](=O)[O-])c(N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)c1 ZINC000897221126 708259227 /nfs/dbraw/zinc/25/92/27/708259227.db2.gz HMEGXJYBBURCKT-STQMWFEESA-N 1 0 306.366 1.212 20 5 DDBDRO [NH3+][C@@H]1CCO[C@H]1C1CCN(Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886837832 708858524 /nfs/dbraw/zinc/85/85/24/708858524.db2.gz NZQRKDZAEWMRTC-KGLIPLIRSA-N 1 0 306.366 1.318 20 5 DDBDRO Cc1cc(C(=O)N2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)cc([N+](=O)[O-])c1 ZINC000887934158 709170164 /nfs/dbraw/zinc/17/01/64/709170164.db2.gz AXJRATWMHGOBQH-CJNGLKHVSA-N 1 0 303.362 1.927 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)C12CC[NH+](CC1)C2 ZINC000900295023 709525702 /nfs/dbraw/zinc/52/57/02/709525702.db2.gz RWLPUGYINXYIQX-UHFFFAOYSA-N 1 0 305.334 1.315 20 5 DDBDRO COC[C@@H]1C[NH2+]CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000900488418 709619913 /nfs/dbraw/zinc/61/99/13/709619913.db2.gz MKSILRIBMBGSTO-JTQLQIEISA-N 1 0 312.301 1.186 20 5 DDBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912928338 713127161 /nfs/dbraw/zinc/12/71/61/713127161.db2.gz IIFBIAIOLSQEMJ-NFBGWVBBSA-N 1 0 301.346 1.915 20 5 DDBDRO C[N@@H+]1CC[C@H](CC(=O)NCc2cc([N+](=O)[O-])c(F)cc2F)C1 ZINC000911473112 710812851 /nfs/dbraw/zinc/81/28/51/710812851.db2.gz QVOAZVFUMXUAGK-SECBINFHSA-N 1 0 313.304 1.831 20 5 DDBDRO C[C@H]1CN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000911822536 711014414 /nfs/dbraw/zinc/01/44/14/711014414.db2.gz WQKJTILXCFPHDY-GXFFZTMASA-N 1 0 309.341 1.862 20 5 DDBDRO COc1cc([C@H](C)[NH2+]CC[C@]2(O)CCOC2)cc([N+](=O)[O-])c1 ZINC000903194146 711060179 /nfs/dbraw/zinc/06/01/79/711060179.db2.gz JFWGPUGNWGUEGM-NHYWBVRUSA-N 1 0 310.350 1.796 20 5 DDBDRO [NH3+]CCN(Cc1cnn(CCF)c1)c1ccccc1[N+](=O)[O-] ZINC000894449116 711125252 /nfs/dbraw/zinc/12/52/52/711125252.db2.gz SISRSAFHIOBAKV-UHFFFAOYSA-N 1 0 307.329 1.726 20 5 DDBDRO O=[N+]([O-])c1cnc2ccc(F)cc2c1NCC[N@H+]1CC[C@H](O)C1 ZINC000894833672 711289476 /nfs/dbraw/zinc/28/94/76/711289476.db2.gz XBPKKMKVJNQPOZ-NSHDSACASA-N 1 0 320.324 1.183 20 5 DDBDRO Cn1cc(C[NH2+]C[C@@H]2COCO2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000894873907 711304287 /nfs/dbraw/zinc/30/42/87/711304287.db2.gz UKCOJVQRDPTDOL-CQSZACIVSA-N 1 0 318.333 1.458 20 5 DDBDRO [NH3+]CCc1ccc2c(c1)CCCN2CCn1cc([N+](=O)[O-])cn1 ZINC000903869369 711309426 /nfs/dbraw/zinc/30/94/26/711309426.db2.gz ANKBHCHASCCGCJ-UHFFFAOYSA-N 1 0 315.377 1.745 20 5 DDBDRO [NH3+][C@H](CC(F)F)CN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000903879717 711314526 /nfs/dbraw/zinc/31/45/26/711314526.db2.gz HZQJPDFZQFMTRZ-SNVBAGLBSA-N 1 0 315.324 1.094 20 5 DDBDRO C[NH+](C)CC1(O)CCN(c2nc3ccccn3c2[N+](=O)[O-])CC1 ZINC000894956421 711338234 /nfs/dbraw/zinc/33/82/34/711338234.db2.gz WFYSXDDIXBUACJ-UHFFFAOYSA-N 1 0 319.365 1.135 20 5 DDBDRO COc1ccc(CNC[C@@H]2C[NH2+]CCC2(F)F)cc1[N+](=O)[O-] ZINC000903955165 711347096 /nfs/dbraw/zinc/34/70/96/711347096.db2.gz LUGWZZIQGKCJEO-NSHDSACASA-N 1 0 315.320 1.938 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CC[C@H]2CCC(F)(F)C2)c1 ZINC000905675779 712114447 /nfs/dbraw/zinc/11/44/47/712114447.db2.gz RAKRVODCYXSYBC-PWSUYJOCSA-N 1 0 318.324 1.567 20 5 DDBDRO COc1ccc(CNC(=O)N[C@H]2CC[N@H+](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000914300033 713373117 /nfs/dbraw/zinc/37/31/17/713373117.db2.gz HTEHOWVAIWSVAU-PWSUYJOCSA-N 1 0 322.365 1.495 20 5 DDBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+][C@H]1COC[C@H]1C1CC1)OCCO2 ZINC000914433377 713395238 /nfs/dbraw/zinc/39/52/38/713395238.db2.gz OKWNYJZTDFRPHZ-STQMWFEESA-N 1 0 320.345 1.881 20 5 DDBDRO CCC[N@H+](CC[N+](=O)[O-])[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000929526551 713630693 /nfs/dbraw/zinc/63/06/93/713630693.db2.gz SHBQAMDDKSNGEP-LBPRGKRZSA-N 1 0 301.387 1.985 20 5 DDBDRO Cc1ccc([C@H](C)NC(=O)NC[C@@H]2CC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000921336891 713738349 /nfs/dbraw/zinc/73/83/49/713738349.db2.gz ZLTQDTUEILAPKS-AAEUAGOBSA-N 1 0 306.366 1.968 20 5 DDBDRO C[NH+](C)C1(CNC(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 ZINC000921681175 713841099 /nfs/dbraw/zinc/84/10/99/713841099.db2.gz SCWGNNNSKOVQLI-UHFFFAOYSA-N 1 0 306.366 1.531 20 5 DDBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000930619919 713878921 /nfs/dbraw/zinc/87/89/21/713878921.db2.gz ZPZWSVKSWRVXGZ-LBPRGKRZSA-N 1 0 321.381 1.607 20 5 DDBDRO C[C@@H]1CC[C@H](C(N)=O)[C@H](C)[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000930916136 713958025 /nfs/dbraw/zinc/95/80/25/713958025.db2.gz NJSYFAHHVAZXLF-XUJVJEKNSA-N 1 0 321.377 1.948 20 5 DDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931281827 714056261 /nfs/dbraw/zinc/05/62/61/714056261.db2.gz ZLZDNYCNXDHLFR-RABLLNBGSA-N 1 0 318.377 1.414 20 5 DDBDRO COCC[N@H+](C)C[C@@H](O)CN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000932177895 714279804 /nfs/dbraw/zinc/27/98/04/714279804.db2.gz GBXMZLOQTJFXNC-DOMZBBRYSA-N 1 0 311.382 1.185 20 5 DDBDRO COC(C)(C)[C@@H](C)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000932371067 714319349 /nfs/dbraw/zinc/31/93/49/714319349.db2.gz SPJSNRVHWOZBKJ-VXGBXAGGSA-N 1 0 312.366 1.738 20 5 DDBDRO C[NH2+]C[C@@H]1CCCCN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000923430132 714353692 /nfs/dbraw/zinc/35/36/92/714353692.db2.gz IVDHQPOUDKHUFI-KBPBESRZSA-N 1 0 323.393 1.408 20 5 DDBDRO CC[C@@H]1C(=O)NCCCN1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000933221165 714539952 /nfs/dbraw/zinc/53/99/52/714539952.db2.gz PLRJHYSMLYBSSL-GFCCVEGCSA-N 1 0 307.350 1.704 20 5 DDBDRO CC[C@@H]1C(=O)NCCCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000933220914 714540043 /nfs/dbraw/zinc/54/00/43/714540043.db2.gz LWYYLPWRMBHKTJ-CQSZACIVSA-N 1 0 307.350 1.574 20 5 DDBDRO C[N@@H+]1C[C@H](O)C[C@H]1CNC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000924981041 714714357 /nfs/dbraw/zinc/71/43/57/714714357.db2.gz VICCXHNABMJEMI-DTWKUNHWSA-N 1 0 313.741 1.043 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@@H]2CCOC23CCOCC3)cc1 ZINC000924991324 714718732 /nfs/dbraw/zinc/71/87/32/714718732.db2.gz DBZKKCYJNKYQSS-LSDHHAIUSA-N 1 0 322.361 1.556 20 5 DDBDRO O=[N+]([O-])c1ccc(CN2CC[C@H]3[C@H]2CCC[N@H+]3CCO)cc1F ZINC000934265786 714780009 /nfs/dbraw/zinc/78/00/09/714780009.db2.gz NPMPFAOUQJSPQG-CVEARBPZSA-N 1 0 323.368 1.765 20 5 DDBDRO C[C@H]1[C@@H](NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000925317515 714806868 /nfs/dbraw/zinc/80/68/68/714806868.db2.gz MCKAOCIKYMURRK-AAEUAGOBSA-N 1 0 306.366 1.829 20 5 DDBDRO C[C@@H]1C[NH2+]C[C@H]1N[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000925787158 714934743 /nfs/dbraw/zinc/93/47/43/714934743.db2.gz XSKWLNKYOACNOZ-KCPJHIHWSA-N 1 0 315.377 1.615 20 5 DDBDRO CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1C[NH+](CC2CC3(CCC3)C2)C1 ZINC000950056150 720470001 /nfs/dbraw/zinc/47/00/01/720470001.db2.gz UXCHLIVXKCUPSV-HUUCEWRRSA-N 1 0 321.421 1.765 20 5 DDBDRO Cc1cc(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)ncn1 ZINC001125762295 735538826 /nfs/dbraw/zinc/53/88/26/735538826.db2.gz QOOFSZVEKICLQX-UHFFFAOYSA-N 1 0 315.333 1.213 20 5 DDBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)c1ncc[nH]1 ZINC001022055363 734364115 /nfs/dbraw/zinc/36/41/15/734364115.db2.gz KQESCNSVSQPGTD-TXEJJXNPSA-N 1 0 315.333 1.369 20 5 DDBDRO O=C(N[C@H]1C[C@@H]([NH2+]CC2CC3(CCC3)C2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001022064037 734368614 /nfs/dbraw/zinc/36/86/14/734368614.db2.gz RXJYMGCZGUEGKS-XJFOESAGSA-N 1 0 307.394 1.469 20 5 DDBDRO CC1(C)CC([NH3+])CC(C)(C)N1c1c(F)c([N+](=O)[O-])cc[n+]1[O-] ZINC001167626038 734852207 /nfs/dbraw/zinc/85/22/07/734852207.db2.gz UXSBWEGCMHLASK-UHFFFAOYSA-N 1 0 312.345 1.852 20 5 DDBDRO N=c1cc(C[NH3+])ccn1-c1ccc2nsnc2c1[N+](=O)[O-] ZINC001167692155 736087150 /nfs/dbraw/zinc/08/71/50/736087150.db2.gz MLFQDGZAUNPMOJ-UHFFFAOYSA-N 1 0 302.319 1.328 20 5 DDBDRO O=C(CCc1ncc[nH]1)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001126431278 740079059 /nfs/dbraw/zinc/07/90/59/740079059.db2.gz FRSUTMCRDFLSFW-UHFFFAOYSA-N 1 0 323.378 1.218 20 5 DDBDRO Cc1ccnc(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])n1 ZINC001126471740 740291309 /nfs/dbraw/zinc/29/13/09/740291309.db2.gz MXHGLVGHLCHZJC-UHFFFAOYSA-N 1 0 315.333 1.213 20 5 DDBDRO COc1c(O)ccc(C[NH2+][C@H]2CCn3ccnc3C2)c1[N+](=O)[O-] ZINC001181054035 743037432 /nfs/dbraw/zinc/03/74/32/743037432.db2.gz DWXVUIWBILJFLV-NSHDSACASA-N 1 0 318.333 1.610 20 5 DDBDRO C[NH+](C)CCCC(=O)NCC1(Nc2ccccc2[N+](=O)[O-])CC1 ZINC001110320373 743685414 /nfs/dbraw/zinc/68/54/14/743685414.db2.gz PYBHBPZITUSASW-UHFFFAOYSA-N 1 0 320.393 1.997 20 5 DDBDRO Cn1cc([N+](=O)[O-])c(N2CCC[N@H+](C[C@H]3CCCO3)CC2)n1 ZINC001184820536 744108353 /nfs/dbraw/zinc/10/83/53/744108353.db2.gz MAMYYVNCMNRJTI-GFCCVEGCSA-N 1 0 309.370 1.019 20 5 DDBDRO Cc1nc(CC2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)no1 ZINC001197999850 747330539 /nfs/dbraw/zinc/33/05/39/747330539.db2.gz BWSKNTOJLBMYGS-UHFFFAOYSA-N 1 0 320.353 1.437 20 5 DDBDRO O=C(NCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1ccns1 ZINC001128507655 748278124 /nfs/dbraw/zinc/27/81/24/748278124.db2.gz WOUJAYRSGGRVDR-UHFFFAOYSA-N 1 0 306.347 1.571 20 5 DDBDRO Cc1cc(CC(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)no1 ZINC001124999601 748767663 /nfs/dbraw/zinc/76/76/63/748767663.db2.gz VUWIFHLPSBAQCR-UHFFFAOYSA-N 1 0 318.333 1.340 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(NC/C=C\CNC(=O)CC[NH+](C)C)c1 ZINC001107489773 750045430 /nfs/dbraw/zinc/04/54/30/750045430.db2.gz IVPHNODJURRMJG-PLNGDYQASA-N 1 0 320.393 1.939 20 5 DDBDRO O=C(NCCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1ncccn1 ZINC001168950741 762139391 /nfs/dbraw/zinc/13/93/91/762139391.db2.gz WJYKRYQGILPNQN-UHFFFAOYSA-N 1 0 315.333 1.295 20 5 DDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2cc(Br)no2)C1 ZINC001168968350 762158382 /nfs/dbraw/zinc/15/83/82/762158382.db2.gz XXMMJJLCUPAXQR-JGVFFNPUSA-N 1 0 304.144 1.972 20 5 DDBDRO O=C(C[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)NCc1ccc(F)cc1 ZINC001168993541 762166493 /nfs/dbraw/zinc/16/64/93/762166493.db2.gz NAVBKQFKQNGWLY-JSGCOSHPSA-N 1 0 309.341 1.477 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2ccn(CC(F)(F)F)n2)C1 ZINC001168997520 762169837 /nfs/dbraw/zinc/16/98/37/762169837.db2.gz CVQWEQHSABONMZ-ZJUUUORDSA-N 1 0 306.288 1.980 20 5 DDBDRO O=C1CCCCN1C1CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169035832 762191863 /nfs/dbraw/zinc/19/18/63/762191863.db2.gz DAACWINXBLKGEV-HIFRSBDPSA-N 1 0 309.410 1.909 20 5 DDBDRO COc1cccnc1N1CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169040192 762194659 /nfs/dbraw/zinc/19/46/59/762194659.db2.gz YPIAALPEGWSNQR-UONOGXRCSA-N 1 0 320.393 1.658 20 5 DDBDRO CCOC(=O)c1nn([C@H]2CC[C@H](C[N+](=O)[O-])C2)c2c1C[NH2+]CC2 ZINC001169041623 762195514 /nfs/dbraw/zinc/19/55/14/762195514.db2.gz BNRUUASZTMPUMU-QWRGUYRKSA-N 1 0 322.365 1.323 20 5 DDBDRO COC[C@@H]1C[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)Cc2cn(C)nc21 ZINC001169018748 762198915 /nfs/dbraw/zinc/19/89/15/762198915.db2.gz DIQCMSLLZLLXRR-FPMFFAJLSA-N 1 0 308.382 1.411 20 5 DDBDRO COC(=O)c1c(C)c([N+](=O)[O-])ccc1-n1ccc([C@@H](C)[NH3+])n1 ZINC001169235579 762289864 /nfs/dbraw/zinc/28/98/64/762289864.db2.gz XJFWXSAYNYRKHW-SECBINFHSA-N 1 0 304.306 1.895 20 5 DDBDRO C[C@@H]([NH3+])c1ccn(-c2nccc(Br)c2[N+](=O)[O-])n1 ZINC001169234375 762293985 /nfs/dbraw/zinc/29/39/85/762293985.db2.gz ICNLQWHUHMFKER-ZCFIWIBFSA-N 1 0 312.127 1.958 20 5 DDBDRO COc1ccc(NCc2ncn3c2C[NH2+]CCC3)nc1[N+](=O)[O-] ZINC001169236807 762301236 /nfs/dbraw/zinc/30/12/36/762301236.db2.gz HMWJVJSKWZFKQN-UHFFFAOYSA-N 1 0 318.337 1.300 20 5 DDBDRO C[NH+](C)C1(C)CCN(C(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC001169734194 762642939 /nfs/dbraw/zinc/64/29/39/762642939.db2.gz CNZRSAUUCLBJEF-UHFFFAOYSA-N 1 0 307.354 1.128 20 5 DDBDRO Cc1cncc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c1 ZINC001086363216 761493145 /nfs/dbraw/zinc/49/31/45/761493145.db2.gz HWJBRIFELFQUPV-NMFUWQPSSA-N 1 0 318.377 1.040 20 5 DDBDRO C[C@@H](Nc1ccc([N+](=O)[O-])c2cnccc12)[C@H]1C[NH2+]CCO1 ZINC001170566131 768167017 /nfs/dbraw/zinc/16/70/17/768167017.db2.gz DRSKMFUZQWPUNG-MEBBXXQBSA-N 1 0 302.334 1.932 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)c(F)cnc2NC[C@@H]1COCC[NH2+]1 ZINC001170042689 764344453 /nfs/dbraw/zinc/34/44/53/764344453.db2.gz SFNFHYUESMZUEI-SECBINFHSA-N 1 0 306.297 1.682 20 5 DDBDRO Cc1ccccc1CN1CC(N(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001042704980 764373027 /nfs/dbraw/zinc/37/30/27/764373027.db2.gz FIRJAXVTYPOCFL-HUUCEWRRSA-N 1 0 303.362 1.303 20 5 DDBDRO CC(=O)Nc1ccc(N[C@@H](C)[C@H]2C[NH2+]CCO2)cc1[N+](=O)[O-] ZINC001170576392 768252385 /nfs/dbraw/zinc/25/23/85/768252385.db2.gz ZXYVDYQBMJYEGC-LKFCYVNXSA-N 1 0 308.338 1.342 20 5 DDBDRO COC(=O)[C@@H]1C[C@@H]1C[NH2+][C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170317263 766247159 /nfs/dbraw/zinc/24/71/59/766247159.db2.gz DHSUBZXYWYFOGI-ZKYQVNSYSA-N 1 0 322.361 1.933 20 5 DDBDRO CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[NH+](C/C=C/Cl)CC1 ZINC001045437646 766306357 /nfs/dbraw/zinc/30/63/57/766306357.db2.gz WSIUITIYZUCFHX-ZDDBVIRUSA-N 1 0 301.774 1.375 20 5 DDBDRO Nc1nc(-n2cccn2)cc(N2Cc3ccc([N+](=O)[O-])cc3C2)[nH+]1 ZINC001116456173 780511174 /nfs/dbraw/zinc/51/11/74/780511174.db2.gz KGQZOXPIUBTAHE-UHFFFAOYSA-N 1 0 323.316 1.673 20 5 DDBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@@](F)(C[NH3+])C1 ZINC001157817191 766753037 /nfs/dbraw/zinc/75/30/37/766753037.db2.gz KLPWRSFRRHPEJB-CYBMUJFWSA-N 1 0 312.301 1.044 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(NCCNC(=O)C[N@@H+](C)C(C)C)c1 ZINC001093674072 774989348 /nfs/dbraw/zinc/98/93/48/774989348.db2.gz NAOVUUNCPMRPGH-UHFFFAOYSA-N 1 0 308.382 1.772 20 5 DDBDRO Cc1cc(NCCCNC(=O)CC[NH+](C)C)ncc1[N+](=O)[O-] ZINC001094751242 776246623 /nfs/dbraw/zinc/24/66/23/776246623.db2.gz HSPSXWADPBDDRG-UHFFFAOYSA-N 1 0 309.370 1.168 20 5 DDBDRO C[N@H+](CC(=O)NCCCNc1ccc([N+](=O)[O-])cn1)C1CCC1 ZINC001094853519 776503688 /nfs/dbraw/zinc/50/36/88/776503688.db2.gz PSQQRQBHXVLNNB-UHFFFAOYSA-N 1 0 321.381 1.392 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C[C@@H](C)CO)c1F ZINC001173179178 777034120 /nfs/dbraw/zinc/03/41/20/777034120.db2.gz NUDVNRCREMOBKS-ZJUUUORDSA-N 1 0 300.330 1.892 20 5 DDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1CC2(C1)CS(=O)(=O)C2 ZINC001173215982 777048048 /nfs/dbraw/zinc/04/80/48/777048048.db2.gz GSMBYQJVXWSYHP-LLVKDONJSA-N 1 0 324.402 1.693 20 5 DDBDRO CC[N@@H+]1C[C@H](NC(=O)COc2cccc([N+](=O)[O-])c2)C(C)(C)C1 ZINC001178861626 779214580 /nfs/dbraw/zinc/21/45/80/779214580.db2.gz ZTUYTTYAVOLZMJ-AWEZNQCLSA-N 1 0 321.377 1.820 20 5 DDBDRO COc1ccc(C[N@@H+]2CCC[C@@H](C(=O)N(C)C)C2)cc1[N+](=O)[O-] ZINC000069522376 779429862 /nfs/dbraw/zinc/42/98/62/779429862.db2.gz FKJNAJZBFJHZQX-CYBMUJFWSA-N 1 0 321.377 1.904 20 5 DDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC001117779029 780899444 /nfs/dbraw/zinc/89/94/44/780899444.db2.gz DOLLWPRZDBVBJH-IINYFYTJSA-N 1 0 304.350 1.413 20 5 DDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@@H]3CCO[C@@]4(CCOC4)C3)C2)c1 ZINC001119300895 781398556 /nfs/dbraw/zinc/39/85/56/781398556.db2.gz JXPNFYWEBLQKPO-LPXQKFACSA-N 1 0 322.365 1.423 20 5 DDBDRO Cc1nonc1C(=O)N(C)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001267143678 837411137 /nfs/dbraw/zinc/41/11/37/837411137.db2.gz NPAGRUPGPLKHKM-UHFFFAOYSA-N 1 0 319.321 1.148 20 5 DDBDRO CCOC(=O)[C@@H]1C[NH2+]CCN1C/C=C/c1ccccc1[N+](=O)[O-] ZINC001326223373 861208319 /nfs/dbraw/zinc/20/83/19/861208319.db2.gz ZTALVYLDPORSDJ-ZKKXHLJNSA-N 1 0 319.361 1.445 20 5 DDBDRO Cn1cccc1C(=O)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001154711987 861382302 /nfs/dbraw/zinc/38/23/02/861382302.db2.gz KDHITCKDRURRPZ-UHFFFAOYSA-N 1 0 316.361 1.843 20 5 DDBDRO O=C([C@@H]1C[C@]12CCC[NH2+]C2)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001326784631 861608419 /nfs/dbraw/zinc/60/84/19/861608419.db2.gz XMMTWUYPGRFJTA-RDJZCZTQSA-N 1 0 315.373 1.869 20 5 DDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC001326815659 861628464 /nfs/dbraw/zinc/62/84/64/861628464.db2.gz AIZMGJDSUQHFGR-ZWNOBZJWSA-N 1 0 304.350 1.461 20 5 DDBDRO CC[C@H]1[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CCC[C@]12CCC(=O)N2 ZINC001169021514 850518668 /nfs/dbraw/zinc/51/86/68/850518668.db2.gz LGKQCJPNRMFIDS-KQTLUZQSSA-N 1 0 309.410 1.955 20 5 DDBDRO O=[N+]([O-])c1cccc2ncnc(NC[C@@]34C[NH2+][C@@H](CO3)C4)c21 ZINC001155545191 862211903 /nfs/dbraw/zinc/21/19/03/862211903.db2.gz MXELUTRNLMFWRP-YMTOWFKASA-N 1 0 301.306 1.081 20 5 DDBDRO CCC1([NH+](C)C)CCN(C(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC001150628701 862365785 /nfs/dbraw/zinc/36/57/85/862365785.db2.gz HTLVTOYQLRPQTO-UHFFFAOYSA-N 1 0 321.381 1.518 20 5 DDBDRO [NH3+]CC1(NC(=O)c2ccnc3c2ccc2cccnc23)COC1 ZINC001155816942 862473732 /nfs/dbraw/zinc/47/37/32/862473732.db2.gz BBQFRCDETZYPSG-UHFFFAOYSA-N 1 0 308.341 1.241 20 5 DDBDRO O=[N+]([O-])c1ccc2ncc(N(c3ncccn3)C3C[NH2+]C3)nc2c1 ZINC001155870152 862525144 /nfs/dbraw/zinc/52/51/44/862525144.db2.gz RQPKQYXHYUMNGH-UHFFFAOYSA-N 1 0 323.316 1.438 20 5 DDBDRO O=[N+]([O-])c1cc[n+]([O-])c(NCC2C[NH+](Cc3ccccc3)C2)c1 ZINC001156401278 863013159 /nfs/dbraw/zinc/01/31/59/863013159.db2.gz TZMNYHDQWCHJHT-UHFFFAOYSA-N 1 0 314.345 1.772 20 5 DDBDRO C[NH2+]C1CC(C(=O)NCCCNc2ccc(C)cc2[N+](=O)[O-])C1 ZINC001121883769 858618965 /nfs/dbraw/zinc/61/89/65/858618965.db2.gz WFGMDBGOLVRRHZ-UHFFFAOYSA-N 1 0 320.393 1.819 20 5 DDBDRO C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)[C@H](C)C[NH2+]1 ZINC001121931901 858638520 /nfs/dbraw/zinc/63/85/20/858638520.db2.gz TVHKSQRTXKKURK-HKCMKHECSA-N 1 0 303.362 1.907 20 5 DDBDRO C[NH2+]C[C@@H](O)[C@H](C)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001122038572 858670126 /nfs/dbraw/zinc/67/01/26/858670126.db2.gz MIKIXSKKTGZWIF-XHDPSFHLSA-N 1 0 321.377 1.302 20 5 DDBDRO C[C@@H]1[C@H](C)[NH2+]C[C@H](C)N1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC001122179332 858705204 /nfs/dbraw/zinc/70/52/04/858705204.db2.gz DAABOGCNVQUXJI-SDDRHHMPSA-N 1 0 307.350 1.571 20 5 DDBDRO C[C@@H]1C[NH2+][C@@H](C)[C@H](C)N1C(=O)COc1ccccc1[N+](=O)[O-] ZINC001122264873 858730012 /nfs/dbraw/zinc/73/00/12/858730012.db2.gz YEIVEBPUKOIWMF-WOPDTQHZSA-N 1 0 307.350 1.571 20 5 DDBDRO O=C(NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccccn1 ZINC001122578605 858897587 /nfs/dbraw/zinc/89/75/87/858897587.db2.gz DKXBKCBYYYMGCU-UHFFFAOYSA-N 1 0 300.318 1.509 20 5 DDBDRO Cc1nnsc1C(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001123373824 859199863 /nfs/dbraw/zinc/19/98/63/859199863.db2.gz HUKVXZMQGKWHNS-UHFFFAOYSA-N 1 0 321.362 1.274 20 5 DDBDRO Cc1ccc(C(=O)N[C@@H]2CC[C@@H]3C[N@@H+](C)C[C@H]23)cc1[N+](=O)[O-] ZINC001124088465 859571602 /nfs/dbraw/zinc/57/16/02/859571602.db2.gz UWTJSHZIGRYCQP-HZSPNIEDSA-N 1 0 303.362 1.973 20 5 DDBDRO O=C(CC(F)(F)F)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001124420673 859708343 /nfs/dbraw/zinc/70/83/43/859708343.db2.gz WNYDINIAJIUBBO-UHFFFAOYSA-N 1 0 311.285 1.815 20 5 DDBDRO C[NH2+][C@H](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC001326188415 861173256 /nfs/dbraw/zinc/17/32/56/861173256.db2.gz LVHSPRWXDOGZFE-SNVBAGLBSA-N 1 0 301.368 1.180 20 5 DDBDRO COc1cc2ncnc(N3CC[NH2+][C@H](C)C3)c2cc1[N+](=O)[O-] ZINC001156692528 863267691 /nfs/dbraw/zinc/26/76/91/863267691.db2.gz SVQVAOJYBWUKHB-SECBINFHSA-N 1 0 303.322 1.345 20 5 DDBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N(C)[C@]2(C)CCC[NH2+]C2)n1 ZINC001156977354 863492053 /nfs/dbraw/zinc/49/20/53/863492053.db2.gz SCVCJEYEJWKXJY-CQSZACIVSA-N 1 0 322.369 1.230 20 5 DDBDRO NC(=[NH2+])c1nccn1-c1nc(Cl)c(Cl)cc1[N+](=O)[O-] ZINC001157621266 863981896 /nfs/dbraw/zinc/98/18/96/863981896.db2.gz DCMRUQJKFCQZFG-UHFFFAOYSA-N 1 0 301.093 1.766 20 5 DDBDRO C[C@H]1CC[C@H](NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C[NH2+]1 ZINC001330006689 864014054 /nfs/dbraw/zinc/01/40/54/864014054.db2.gz BKNSELMWIUBGNU-FZMZJTMJSA-N 1 0 318.377 1.803 20 5 DDBDRO CCC[NH+]1C[C@@H]2CN(c3ccc([N+](=O)[O-])c(OC)n3)C[C@H]2C1 ZINC001157688027 864046562 /nfs/dbraw/zinc/04/65/62/864046562.db2.gz ALSCOCVADGVFHO-VXGBXAGGSA-N 1 0 306.366 1.776 20 5 DDBDRO COC(=O)c1cnc(N(C(C)C)[C@@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001158025653 864365465 /nfs/dbraw/zinc/36/54/65/864365465.db2.gz ODRBTSZADDREAB-LLVKDONJSA-N 1 0 308.338 1.353 20 5 DDBDRO C[N@H+](C1CN(c2cc(Cl)cc([N+](=O)[O-])n2)C1)[C@H]1CCOC1 ZINC001158731268 864864611 /nfs/dbraw/zinc/86/46/11/864864611.db2.gz JDYGINPHFZQFQL-JTQLQIEISA-N 1 0 312.757 1.553 20 5 DDBDRO COc1ccc2ncc([N+](=O)[O-])c(NCCC[NH+](C)C)c2c1 ZINC001331525674 865135991 /nfs/dbraw/zinc/13/59/91/865135991.db2.gz LISZWTSEQHSKAI-UHFFFAOYSA-N 1 0 304.350 1.937 20 5 DDBDRO Cc1nc(Cl)nc(N[C@H](C)[C@@H]2C[NH2+]CCO2)c1[N+](=O)[O-] ZINC001159489150 865340993 /nfs/dbraw/zinc/34/09/93/865340993.db2.gz KKYZTLJJHUGECJ-SVRRBLITSA-N 1 0 301.734 1.135 20 5 DDBDRO Cc1ccnc2c(OC(=O)C[C@@H](O)C[N+](C)(C)C)cccc12 ZINC001225493282 881869636 /nfs/dbraw/zinc/86/96/36/881869636.db2.gz CVLSQOGMXBHSTA-CYBMUJFWSA-N 1 0 303.382 1.906 20 5 DDBDRO CC[N@H+](C)[C@@H]1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC001160152791 865702390 /nfs/dbraw/zinc/70/23/90/865702390.db2.gz GJVWUGCKOLYUEC-CYBMUJFWSA-N 1 0 320.393 1.949 20 5 DDBDRO Cc1n[nH]c(C(=O)NCCCCc2cc[nH+]c(N)c2)c1[N+](=O)[O-] ZINC001160239061 865741435 /nfs/dbraw/zinc/74/14/35/865741435.db2.gz MNILADGWDWCEII-UHFFFAOYSA-N 1 0 318.337 1.356 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(C)cc1-c1noc([C@@H]2C[NH2+]CCO2)n1 ZINC001332359310 865787083 /nfs/dbraw/zinc/78/70/83/865787083.db2.gz MIDWGTFIFAYDNA-LBPRGKRZSA-N 1 0 304.306 1.923 20 5 DDBDRO CC(=O)O[C@H]1C[C@@H]2C[C@H](Oc3ncccc3[N+](=O)[O-])C[C@H]1[N@@H+]2C ZINC001225598945 881931714 /nfs/dbraw/zinc/93/17/14/881931714.db2.gz ZIZGTCBQTXCPES-VTPLQMEGSA-N 1 0 321.333 1.535 20 5 DDBDRO CC1(C)CC[C@H](Nc2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])C1 ZINC001161031587 866292575 /nfs/dbraw/zinc/29/25/75/866292575.db2.gz DDSMJPCXTZQKLL-NSHDSACASA-N 1 0 320.397 1.785 20 5 DDBDRO COCCC1(CNc2ccc([N+](=O)[O-])c(OC)n2)CC[NH2+]CC1 ZINC001161497492 866714288 /nfs/dbraw/zinc/71/42/88/866714288.db2.gz SSORUJJHOFEZSM-UHFFFAOYSA-N 1 0 324.381 1.817 20 5 DDBDRO Cc1c(C(=O)OCCn2cc([N+](=O)[O-])cn2)ccc2c[nH+]cn21 ZINC001320468117 866761591 /nfs/dbraw/zinc/76/15/91/866761591.db2.gz JKMFHDXXBZIGMW-UHFFFAOYSA-N 1 0 315.289 1.604 20 5 DDBDRO O=C(NCC[N@H+](CCF)C1CCCCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001323708371 866786816 /nfs/dbraw/zinc/78/68/16/866786816.db2.gz GLKNWAKADCKWFC-ZIAGYGMSSA-N 1 0 315.389 1.762 20 5 DDBDRO Cc1cc(Cl)nc(NCCN2CCC([NH3+])CC2)c1[N+](=O)[O-] ZINC001161867540 867047481 /nfs/dbraw/zinc/04/74/81/867047481.db2.gz JDSWORANTGJXPU-UHFFFAOYSA-N 1 0 313.789 1.787 20 5 DDBDRO CS(=O)(=O)N(CC[NH3+])c1ncnc2cc3ccccc3cc21 ZINC001162123907 867269572 /nfs/dbraw/zinc/26/95/72/867269572.db2.gz JARJFTVMHBVGOU-UHFFFAOYSA-N 1 0 316.386 1.508 20 5 DDBDRO C[N@@H+]1CCC[C@@](C)(Nc2cc([N+](=O)[O-])cc(Cl)[n+]2[O-])C1 ZINC001162336430 867467094 /nfs/dbraw/zinc/46/70/94/867467094.db2.gz BILCWSLBRWGOKN-GFCCVEGCSA-N 1 0 300.746 1.778 20 5 DDBDRO CCOC1(OCC)CC[NH2+]C[C@H]1Nc1nc(C)ccc1[N+](=O)[O-] ZINC001162733946 867785519 /nfs/dbraw/zinc/78/55/19/867785519.db2.gz WAHBOGQAYQLULS-CYBMUJFWSA-N 1 0 324.381 1.841 20 5 DDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)NC[C@](C)(O)CC[NH+](C)C ZINC001325427431 868020522 /nfs/dbraw/zinc/02/05/22/868020522.db2.gz KOWYILDQZMMSJK-OAHLLOKOSA-N 1 0 324.381 1.069 20 5 DDBDRO O=[N+]([O-])c1c(F)cccc1N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC001335116691 868075579 /nfs/dbraw/zinc/07/55/79/868075579.db2.gz JMWMXWUYEKKRKK-CHWSQXEVSA-N 1 0 309.341 1.769 20 5 DDBDRO COc1cc([N+](=O)[O-])c(NCc2noc3c2C[NH2+]CC3)cc1F ZINC001163131760 868139348 /nfs/dbraw/zinc/13/93/48/868139348.db2.gz LALNWCUOYYPSCM-UHFFFAOYSA-N 1 0 322.296 1.988 20 5 DDBDRO CN(C)c1ccc(NCc2noc3c2C[NH2+]CC3)c([N+](=O)[O-])c1 ZINC001163134397 868144549 /nfs/dbraw/zinc/14/45/49/868144549.db2.gz RXYDMQALTZVBTK-UHFFFAOYSA-N 1 0 317.349 1.907 20 5 DDBDRO O=[N+]([O-])c1cc(NC[C@H]2OC[C@H]3C[NH2+]CC[C@H]32)cn2ccnc12 ZINC001163173223 868189110 /nfs/dbraw/zinc/18/91/10/868189110.db2.gz YIXVMPBAFRCRIU-MPKXVKKWSA-N 1 0 317.349 1.279 20 5 DDBDRO O=[N+]([O-])c1cc2c(nc1NC[C@@]13C[NH2+][C@@H](CO1)C3)CCCC2 ZINC001163193040 868201873 /nfs/dbraw/zinc/20/18/73/868201873.db2.gz KMKZKUHPHNGYET-IAQYHMDHSA-N 1 0 304.350 1.411 20 5 DDBDRO Cc1cc(Cl)c(N[C@@]23CC[NH2+][C@@H]2CC(=O)N3)c([N+](=O)[O-])c1 ZINC001163253152 868263823 /nfs/dbraw/zinc/26/38/23/868263823.db2.gz CWURMNUPGHHEII-MFKMUULPSA-N 1 0 310.741 1.547 20 5 DDBDRO O=C1NCc2c1c([N+](=O)[O-])ccc2N[C@H]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC001163268528 868285962 /nfs/dbraw/zinc/28/59/62/868285962.db2.gz KYVSGMISKKDDDB-YWVKMMECSA-N 1 0 302.334 1.248 20 5 DDBDRO COc1ncc([N+](=O)[O-])cc1NC[C@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001163278095 868302713 /nfs/dbraw/zinc/30/27/13/868302713.db2.gz GWCCPQZQYLNLOW-NHYWBVRUSA-N 1 0 322.365 1.569 20 5 DDBDRO C[C@H](CNC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1ccccc1[N+](=O)[O-] ZINC001335703502 868486951 /nfs/dbraw/zinc/48/69/51/868486951.db2.gz KXNZJIFWGLFRIH-MHDGFBEUSA-N 1 0 318.377 1.890 20 5 DDBDRO COC(=O)c1ncc([N+](=O)[O-])c(C)c1N(CCC[NH3+])C(C)C ZINC001164122478 868954480 /nfs/dbraw/zinc/95/44/80/868954480.db2.gz FLLAVRXBMFTXKL-UHFFFAOYSA-N 1 0 310.354 1.648 20 5 DDBDRO O=[N+]([O-])c1cnc(N2CCC([NH2+]C3CCOCC3)CC2)c(F)c1 ZINC001336726824 869112567 /nfs/dbraw/zinc/11/25/67/869112567.db2.gz RYUREOKFQWKUOF-UHFFFAOYSA-N 1 0 324.356 1.866 20 5 DDBDRO C[NH+]1CCC2(CC1)C[C@@H](NCC[N+](=O)[O-])c1ccccc1O2 ZINC001336733204 869115497 /nfs/dbraw/zinc/11/54/97/869115497.db2.gz KQBLOOAKHDJKJC-CQSZACIVSA-N 1 0 305.378 1.841 20 5 DDBDRO CCN1CCC[C@H]1C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC001336997795 869250979 /nfs/dbraw/zinc/25/09/79/869250979.db2.gz MNKJEBAZDVZZEZ-GJZGRUSLSA-N 1 0 323.393 1.408 20 5 DDBDRO Nc1nc(N2CC[NH2+][C@H](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC001164613165 869329216 /nfs/dbraw/zinc/32/92/16/869329216.db2.gz TWHRUOYAEPONSE-CYBMUJFWSA-N 1 0 313.361 1.593 20 5 DDBDRO Cc1c(C)c(N2CC([N@@H+](C)[C@@H]3CCOC3)C2)ncc1[N+](=O)[O-] ZINC001165205908 869431903 /nfs/dbraw/zinc/43/19/03/869431903.db2.gz XVHIZNLWPLUEHA-GFCCVEGCSA-N 1 0 306.366 1.516 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@]2(C1)CCC[NH2+]C2 ZINC001165236883 869455360 /nfs/dbraw/zinc/45/53/60/869455360.db2.gz ODUZPUTUXXNTTK-OAHLLOKOSA-N 1 0 320.349 1.356 20 5 DDBDRO [NH3+]C1CC2(C1)CCN(c1cc([N+](=O)[O-])cc(Cl)[n+]1[O-])CC2 ZINC001165243444 869460390 /nfs/dbraw/zinc/46/03/90/869460390.db2.gz MBYHHBABWBFFEM-UHFFFAOYSA-N 1 0 312.757 1.589 20 5 DDBDRO O=C(N1Cc2ccc([N+](=O)[O-])cc2C1)[C@@]12CC[N@H+](C1)CCC2 ZINC001338363166 869947157 /nfs/dbraw/zinc/94/71/57/869947157.db2.gz PFVBFSKYOMJXIH-INIZCTEOSA-N 1 0 301.346 1.923 20 5 DDBDRO C[NH+](C)[C@@H]1C[C@@H](NC[C@H](O)c2cccc([N+](=O)[O-])c2)C1(C)C ZINC001338553537 870042970 /nfs/dbraw/zinc/04/29/70/870042970.db2.gz XUEVENUQZRSYCN-RRFJBIMHSA-N 1 0 307.394 1.947 20 5 DDBDRO CC[NH+](CC)C[C@H]1CCN(c2nnc(CCC[N+](=O)[O-])n2C)C1 ZINC001338798282 870174094 /nfs/dbraw/zinc/17/40/94/870174094.db2.gz UIUGALGOKPZKQZ-CYBMUJFWSA-N 1 0 324.429 1.193 20 5 DDBDRO Nc1ncc(C(=O)NC2CC[NH+](C3CCC3)CC2)cc1[N+](=O)[O-] ZINC001297984870 870229933 /nfs/dbraw/zinc/22/99/33/870229933.db2.gz IUCCBCVNSHKAEF-UHFFFAOYSA-N 1 0 319.365 1.319 20 5 DDBDRO N=c1sc2c(n1-c1cc(Cl)ncc1[N+](=O)[O-])CC[NH2+]C2 ZINC001166859764 870324702 /nfs/dbraw/zinc/32/47/02/870324702.db2.gz LJAHEWDEFWQCQF-UHFFFAOYSA-N 1 0 311.754 1.621 20 5 DDBDRO [NH3+][C@@H]1CN(c2ccc(-c3ccc([N+](=O)[O-])cc3)nn2)C[C@@H]1F ZINC001166930036 870390330 /nfs/dbraw/zinc/39/03/30/870390330.db2.gz IEPTUUPOJUVVLL-NWDGAFQWSA-N 1 0 303.297 1.537 20 5 DDBDRO COC(=O)c1cc(OC)c(O[C@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC001226430081 882426086 /nfs/dbraw/zinc/42/60/86/882426086.db2.gz CERRPCORPJLBDP-JTQLQIEISA-N 1 0 324.333 1.863 20 5 DDBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001298706959 870684718 /nfs/dbraw/zinc/68/47/18/870684718.db2.gz ZPSQURFKPPTVOZ-MRVPVSSYSA-N 1 0 317.777 1.822 20 5 DDBDRO Cc1cc(C(=O)N(C)CC[NH2+]Cc2ccccc2[N+](=O)[O-])no1 ZINC001317565387 871091247 /nfs/dbraw/zinc/09/12/47/871091247.db2.gz FHHIUMDQPRILNV-UHFFFAOYSA-N 1 0 318.333 1.753 20 5 DDBDRO C[NH2+]C[C@@H](O)[C@H](C)C(=O)N1CCc2cc(C)c([N+](=O)[O-])cc21 ZINC001340427883 871099033 /nfs/dbraw/zinc/09/90/33/871099033.db2.gz DQIQVRQXNISNKT-IINYFYTJSA-N 1 0 307.350 1.009 20 5 DDBDRO CCCc1n[nH]c(C(=O)N[C@H]2C[N@H+](CC)CC2(C)C)c1[N+](=O)[O-] ZINC001304042444 871180508 /nfs/dbraw/zinc/18/05/08/871180508.db2.gz JHGTVMOMFHWSQH-NSHDSACASA-N 1 0 323.397 1.731 20 5 DDBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@H]2CC[NH2+]C[C@@H]2F)n1 ZINC001205219628 871436061 /nfs/dbraw/zinc/43/60/61/871436061.db2.gz SKJUGTHOYRSUQN-YUMQZZPRSA-N 1 0 311.248 1.594 20 5 DDBDRO [NH3+]CC[C@@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC001341125088 871515044 /nfs/dbraw/zinc/51/50/44/871515044.db2.gz WQMHDYGNBNSOCQ-SNVBAGLBSA-N 1 0 311.769 1.988 20 5 DDBDRO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@H](CO)[C@H](CCO)C2)cc1Cl ZINC001308983843 871543986 /nfs/dbraw/zinc/54/39/86/871543986.db2.gz UYLYCMNRPSDHLG-VXGBXAGGSA-N 1 0 314.769 1.671 20 5 DDBDRO COc1c(O)ccc(C[NH2+]CCO[C@@H]2CCOC2)c1[N+](=O)[O-] ZINC001474720405 871972985 /nfs/dbraw/zinc/97/29/85/871972985.db2.gz SXMVPLOYPRWBEM-LLVKDONJSA-N 1 0 312.322 1.204 20 5 DDBDRO COc1ccc(C(=O)N2CCC3(C[NH2+]C3)CC2)cc1[N+](=O)[O-] ZINC001342159020 872040994 /nfs/dbraw/zinc/04/09/94/872040994.db2.gz HCASGOTVMKMLJO-UHFFFAOYSA-N 1 0 305.334 1.429 20 5 DDBDRO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001342940848 872443538 /nfs/dbraw/zinc/44/35/38/872443538.db2.gz HBQHYRFJYWFRFQ-MYBUGEPTSA-N 1 0 301.346 1.707 20 5 DDBDRO O=C(N[C@@H]1C[NH2+]CC12CC2)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001343641234 872697133 /nfs/dbraw/zinc/69/71/33/872697133.db2.gz NYPLPZVVHTZETM-HZSPNIEDSA-N 1 0 301.346 1.567 20 5 DDBDRO COC(=O)c1sc(C)cc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001226899686 882711009 /nfs/dbraw/zinc/71/10/09/882711009.db2.gz RFOGYNASLUXRBX-SNVBAGLBSA-N 1 0 316.399 1.206 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc2ccc(=O)cc-2[nH]1 ZINC001226909787 882718006 /nfs/dbraw/zinc/71/80/06/882718006.db2.gz FWWCQUVLZOEHBP-CYBMUJFWSA-O 1 0 305.354 1.303 20 5 DDBDRO C[NH+](C)C[C@@]1(O)CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC001347175599 874044076 /nfs/dbraw/zinc/04/40/76/874044076.db2.gz QTSWSRVJBLOZKY-WHWKNOJMSA-N 1 0 319.361 1.133 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)OC[C@@H]1CCC[N@@H+]1CC1CC1 ZINC001347982233 874328636 /nfs/dbraw/zinc/32/86/36/874328636.db2.gz KHYVYKPYGKPZOF-ZDUSSCGKSA-N 1 0 322.365 1.517 20 5 DDBDRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC001348998647 874915590 /nfs/dbraw/zinc/91/55/90/874915590.db2.gz MLTKTYAHMOTCFZ-RYUDHWBXSA-N 1 0 322.340 1.625 20 5 DDBDRO C[NH2+]C[C@@H](C)CNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC001349386204 875146587 /nfs/dbraw/zinc/14/65/87/875146587.db2.gz LDXATYFZMHKWCF-MRVPVSSYSA-N 1 0 317.748 1.902 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC001351177307 876100505 /nfs/dbraw/zinc/10/05/05/876100505.db2.gz PIRHQYMHAUDIHI-VXGBXAGGSA-N 1 0 323.397 1.479 20 5 DDBDRO CNC(=O)c1ccc(N(C)CCCC[NH+](C)C)c([N+](=O)[O-])c1 ZINC001472869027 878303368 /nfs/dbraw/zinc/30/33/68/878303368.db2.gz ICDGEUSMVBAUBF-UHFFFAOYSA-N 1 0 308.382 1.732 20 5 DDBDRO C[NH2+]C[C@@H]1CCCCN1C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC001357337823 879923451 /nfs/dbraw/zinc/92/34/51/879923451.db2.gz RIAVOTPZIZAQCV-HNNXBMFYSA-N 1 0 320.393 1.921 20 5 DDBDRO CC1(C)C[NH2+]C[C@H]1NC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC001358403916 880421548 /nfs/dbraw/zinc/42/15/48/880421548.db2.gz CJOVUJTZKJQLOM-CQSZACIVSA-N 1 0 320.393 1.901 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cccc(-c2nnco2)c1 ZINC001228357523 883463966 /nfs/dbraw/zinc/46/39/66/883463966.db2.gz ONAODKPJMHGKMB-GFCCVEGCSA-N 1 0 306.342 1.099 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc(N=O)c2cccnc12 ZINC001229949068 884243354 /nfs/dbraw/zinc/24/33/54/884243354.db2.gz XFEGSHVERWEYQV-LLVKDONJSA-N 1 0 318.353 1.995 20 5 DDBDRO O=[N+]([O-])c1c[nH]cc2nc(OC3CC[NH+](C4CC4)CC3)nc1-2 ZINC001230228745 884382775 /nfs/dbraw/zinc/38/27/75/884382775.db2.gz AQDPGRBAMHEFSY-UHFFFAOYSA-N 1 0 303.322 1.872 20 5 DDBDRO Cc1cc(OC(=O)C[C@@H](O)C[N+](C)(C)C)nc(C(F)(F)F)c1 ZINC001233559253 887107418 /nfs/dbraw/zinc/10/74/18/887107418.db2.gz NZNWHALSIWAKQK-SNVBAGLBSA-N 1 0 321.319 1.771 20 5 DDBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(O[C@@H]2CCC[N@@H+](C)C2)n1 ZINC001234908508 888246320 /nfs/dbraw/zinc/24/63/20/888246320.db2.gz GEAFQBYWTHKUSU-SNVBAGLBSA-N 1 0 309.326 1.125 20 5 DDBDRO COc1ccc(C[C@@H](C)[NH2+][C@H]2CCNC[C@@H]2F)c([N+](=O)[O-])c1 ZINC001246092730 892411818 /nfs/dbraw/zinc/41/18/18/892411818.db2.gz OZWDOPFCTPYFKC-SWHYSGLUSA-N 1 0 311.357 1.824 20 5 DDBDRO COc1ccc(C[C@H](C)N2C[C@H]3CC[C@@]3([NH3+])C2)c([N+](=O)[O-])c1 ZINC001246856293 892942930 /nfs/dbraw/zinc/94/29/30/892942930.db2.gz WQIGTDLEXJKRDA-NORZTCDRSA-N 1 0 305.378 1.958 20 5 DDBDRO CO[C@@H]1C[NH2+][C@H](c2nc(-c3ncc(F)cc3[N+](=O)[O-])no2)C1 ZINC001249303838 893919599 /nfs/dbraw/zinc/91/95/99/893919599.db2.gz BQSWMEVZKAIZRR-YUMQZZPRSA-N 1 0 309.257 1.228 20 5 DDBDRO Cc1nnc(-c2cc([N+](=O)[O-])cc(N3CC[NH+](C)CC3)c2)o1 ZINC001253471172 895866675 /nfs/dbraw/zinc/86/66/75/895866675.db2.gz VFBQADXVXQIMOY-UHFFFAOYSA-N 1 0 303.322 1.705 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]Cc1cn3cccnc3n1)C2 ZINC001254566097 896504314 /nfs/dbraw/zinc/50/43/14/896504314.db2.gz HQGPYPUNJLRDKD-ZDUSSCGKSA-N 1 0 309.329 1.895 20 5 DDBDRO CNC(=O)[C@@H]([NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)C(C)(C)C ZINC001254582709 896515251 /nfs/dbraw/zinc/51/52/51/896515251.db2.gz VQRMGKRPLYODNE-TZMCWYRMSA-N 1 0 305.378 1.812 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH+]1CCC3(C[C@@H](O)CO3)CC1)C2 ZINC001254592385 896521803 /nfs/dbraw/zinc/52/18/03/896521803.db2.gz CMIOJBHYEIGQPE-JKSUJKDBSA-N 1 0 318.373 1.678 20 5 DDBDRO Cc1nc(C)c(C[N@@H+](C)CCCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])o1 ZINC001280813180 897436174 /nfs/dbraw/zinc/43/61/74/897436174.db2.gz CDGJKFAPGQFZBF-CHWSQXEVSA-N 1 0 324.381 1.237 20 5 DDBDRO Cc1cncc([N+](=O)[O-])c1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001256987313 897658742 /nfs/dbraw/zinc/65/87/42/897658742.db2.gz KAGOSQWQHJNUTA-CYBMUJFWSA-N 1 0 306.366 1.457 20 5 DDBDRO O=c1c(Br)cn(C[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC001261457986 899581975 /nfs/dbraw/zinc/58/19/75/899581975.db2.gz HCWABIHGBLPYRQ-QMMMGPOBSA-N 1 0 316.155 1.519 20 5 DDBDRO C[NH2+][C@@H](C)CCNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC001261461218 899582452 /nfs/dbraw/zinc/58/24/52/899582452.db2.gz DOHGHDOJUWIUJE-NSHDSACASA-N 1 0 317.349 1.508 20 5 DDBDRO CC1=CCN(CC[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001262558517 900243270 /nfs/dbraw/zinc/24/32/70/900243270.db2.gz HYZDYRFHXGCFKO-INIZCTEOSA-N 1 0 305.378 1.870 20 5 DDBDRO O=C(N[C@H]1C[NH2+]CC2(CCOCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC001263188531 900527607 /nfs/dbraw/zinc/52/76/07/900527607.db2.gz TURLCHCSEGLHBJ-CYBMUJFWSA-N 1 0 319.361 1.483 20 5 DDBDRO Cc1cc(NC(=O)[C@H]2C[N@H+]3CCN2C[C@H]3C)cc([N+](=O)[O-])c1 ZINC001264010941 900870437 /nfs/dbraw/zinc/87/04/37/900870437.db2.gz QHRXEGHCDZKFKE-BXUZGUMPSA-N 1 0 304.350 1.230 20 5 DDBDRO CC(C)CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001265405431 901978904 /nfs/dbraw/zinc/97/89/04/901978904.db2.gz ZJRYLIILGIKGEY-LXTVHRRPSA-N 1 0 309.410 1.763 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)n1 ZINC001293745938 914669047 /nfs/dbraw/zinc/66/90/47/914669047.db2.gz SHAOEWZEIMQNSL-ZDUSSCGKSA-N 1 0 318.377 1.856 20 5 DDBDRO C[C@@H]1CC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)[C@H]1CO ZINC000248934207 282118537 /nfs/dbraw/zinc/11/85/37/282118537.db2.gz MYQNXVSWHMYHLY-MFKMUULPSA-N 1 0 318.333 1.848 20 5 DDBDRO C[N@H+]1CC=C(CNc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CC1 ZINC000286550079 219049419 /nfs/dbraw/zinc/04/94/19/219049419.db2.gz QBWFTKRRBDVNJJ-UHFFFAOYSA-N 1 0 315.333 1.917 20 5 DDBDRO C[C@H](O)C[N@@H+]1CCN(CCOc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000249484537 282159731 /nfs/dbraw/zinc/15/97/31/282159731.db2.gz CFVYQIUFZHGWTD-KBPBESRZSA-N 1 0 323.393 1.361 20 5 DDBDRO CO[C@H]1C[C@@H]([NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])C1(C)C ZINC000451501301 231112982 /nfs/dbraw/zinc/11/29/82/231112982.db2.gz OUPNUIOZHNVEDD-OLZOCXBDSA-N 1 0 307.350 1.936 20 5 DDBDRO Cc1nn(C)c(N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)c1[N+](=O)[O-] ZINC000301324760 282272483 /nfs/dbraw/zinc/27/24/83/282272483.db2.gz ACWCFPCQNVDJRL-AVGNSLFASA-N 1 0 305.382 1.557 20 5 DDBDRO CN(C(=O)C[NH2+][C@H](CCO)C(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000181465299 199301236 /nfs/dbraw/zinc/30/12/36/199301236.db2.gz UEORIJZRNZKCQL-CQSZACIVSA-N 1 0 323.393 1.944 20 5 DDBDRO COC[C@H]([NH2+]CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C1CC1 ZINC000181581014 199322571 /nfs/dbraw/zinc/32/25/71/199322571.db2.gz PKHSOVQILCBWRZ-ZDUSSCGKSA-N 1 0 323.349 1.557 20 5 DDBDRO C[N@H+](CCNC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000491323018 529912394 /nfs/dbraw/zinc/91/23/94/529912394.db2.gz XVLHTLVXVZNNQQ-CLTKARDFSA-N 1 0 307.325 1.958 20 5 DDBDRO C[N@H+](CCNC(=O)OC(C)(C)C)CCn1ccc([N+](=O)[O-])n1 ZINC000297461680 529915785 /nfs/dbraw/zinc/91/57/85/529915785.db2.gz QDUZVBSDAKFRHZ-UHFFFAOYSA-N 1 0 313.358 1.248 20 5 DDBDRO CNC(=O)[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000420968473 529926434 /nfs/dbraw/zinc/92/64/34/529926434.db2.gz BXCRZZIATVKKSJ-LBPRGKRZSA-N 1 0 321.377 1.950 20 5 DDBDRO CN1CCC([N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])CCO)CC1 ZINC000434992502 530049630 /nfs/dbraw/zinc/04/96/30/530049630.db2.gz TUDIOUNKUGJGPZ-XQRVVYSFSA-N 1 0 319.405 1.997 20 5 DDBDRO C[N@@H+]1CCC[C@H](CCNC(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000458168646 530060546 /nfs/dbraw/zinc/06/05/46/530060546.db2.gz NPNYCXLGDPREJJ-CYBMUJFWSA-N 1 0 320.393 1.855 20 5 DDBDRO C[NH+](C)CC1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000330762460 232050294 /nfs/dbraw/zinc/05/02/94/232050294.db2.gz OCKHFLJJTJKBNW-UHFFFAOYSA-N 1 0 306.366 1.591 20 5 DDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000228156351 201813299 /nfs/dbraw/zinc/81/32/99/201813299.db2.gz CXADMCIPOVCRHA-QWRGUYRKSA-N 1 0 313.379 1.261 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000160417674 290771381 /nfs/dbraw/zinc/77/13/81/290771381.db2.gz NIDPGFSTIKQDLS-UHFFFAOYSA-N 1 0 317.349 1.320 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000162001659 290791747 /nfs/dbraw/zinc/79/17/47/290791747.db2.gz BMIRXXMBIVAZFJ-GFCCVEGCSA-N 1 0 323.397 1.569 20 5 DDBDRO COCC[NH2+]C1CCN(C(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000564463425 303999583 /nfs/dbraw/zinc/99/95/83/303999583.db2.gz SXLHVVQYXYRMOU-UHFFFAOYSA-N 1 0 313.379 1.497 20 5 DDBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000286930900 219230055 /nfs/dbraw/zinc/23/00/55/219230055.db2.gz NJVZRMKKPZNZIK-UKRRQHHQSA-N 1 0 320.393 1.315 20 5 DDBDRO C[C@]1(O)CCC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000280018151 215315798 /nfs/dbraw/zinc/31/57/98/215315798.db2.gz KGJLCEAQBQMINA-BBRMVZONSA-N 1 0 324.377 1.571 20 5 DDBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)Cc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000272441351 209845694 /nfs/dbraw/zinc/84/56/94/209845694.db2.gz INGPOMKBVCEFHH-SWLSCSKDSA-N 1 0 303.362 1.690 20 5 DDBDRO CN(CC1([NH+](C)C)CCC1)C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000188023591 186245110 /nfs/dbraw/zinc/24/51/10/186245110.db2.gz CWOSNBFRZKRTEE-UHFFFAOYSA-N 1 0 321.377 1.916 20 5 DDBDRO C[C@H]1[NH2+]CCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])[C@H]1C ZINC000262878745 186318012 /nfs/dbraw/zinc/31/80/12/186318012.db2.gz VTGJMIGOQKKTDW-NEPJUHHUSA-N 1 0 306.366 1.240 20 5 DDBDRO Cc1cnccc1C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000564874070 304022356 /nfs/dbraw/zinc/02/23/56/304022356.db2.gz YCOPYWZNBSSLHG-CQSZACIVSA-N 1 0 317.345 1.828 20 5 DDBDRO C[C@H](CNC(=O)COc1ccccc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000042503856 352340695 /nfs/dbraw/zinc/34/06/95/352340695.db2.gz XURVELSLTNLXMY-GFCCVEGCSA-N 1 0 307.350 1.574 20 5 DDBDRO C[NH+](C)C1(CNC(=O)Cn2cc([N+](=O)[O-])cn2)CCCCC1 ZINC000044668911 352390314 /nfs/dbraw/zinc/39/03/14/352390314.db2.gz RPZXNWILIAVMBW-UHFFFAOYSA-N 1 0 309.370 1.172 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[NH+](C(C)C)CC1 ZINC000045772052 352423518 /nfs/dbraw/zinc/42/35/18/352423518.db2.gz RDSWAWAZZIVIFB-UHFFFAOYSA-N 1 0 320.393 1.868 20 5 DDBDRO O=C(CCNc1ccccc1[N+](=O)[O-])NCC[NH+]1CCCCC1 ZINC000047140108 352482751 /nfs/dbraw/zinc/48/27/51/352482751.db2.gz WAQLDZUCMPVLJD-UHFFFAOYSA-N 1 0 320.393 1.999 20 5 DDBDRO C[N@@H+]1CCC[C@H](NC(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000054644032 352699431 /nfs/dbraw/zinc/69/94/31/352699431.db2.gz BQCROYWIYJURPA-ZDUSSCGKSA-N 1 0 306.366 1.531 20 5 DDBDRO C[C@@H](CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000057838176 352830765 /nfs/dbraw/zinc/83/07/65/352830765.db2.gz DHDGAWWIPWRNNM-NSHDSACASA-N 1 0 323.353 1.551 20 5 DDBDRO CC(C)NS(=O)(=O)CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173390064 198209282 /nfs/dbraw/zinc/20/92/82/198209282.db2.gz QHXRAKVXHLBCPC-NSHDSACASA-N 1 0 315.395 1.573 20 5 DDBDRO CC(C)[N@H+](C)CCCNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000068080238 353085726 /nfs/dbraw/zinc/08/57/26/353085726.db2.gz XTIHXCFYNAAAPH-UHFFFAOYSA-N 1 0 319.365 1.931 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)n1 ZINC000331922231 234279410 /nfs/dbraw/zinc/27/94/10/234279410.db2.gz ZSJDUHNSEXUGHH-LBPRGKRZSA-N 1 0 321.381 1.512 20 5 DDBDRO COc1ccc(CC(=O)NC[C@@H](C)[N@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000068195974 353095105 /nfs/dbraw/zinc/09/51/05/353095105.db2.gz DCGFADAGLZPPHE-LLVKDONJSA-N 1 0 321.377 1.745 20 5 DDBDRO CNC(=O)c1ccc(N2CCC[N@@H+](C(C)C)CC2)c([N+](=O)[O-])c1 ZINC000068916240 353135904 /nfs/dbraw/zinc/13/59/04/353135904.db2.gz WHEKLWFYHHGSLL-UHFFFAOYSA-N 1 0 320.393 1.875 20 5 DDBDRO COc1ccc(CC(=O)NC[C@@H](C)[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000069377294 353159376 /nfs/dbraw/zinc/15/93/76/353159376.db2.gz TVSTUDYNOBPFIT-GFCCVEGCSA-N 1 0 321.377 1.746 20 5 DDBDRO CC(C)[N@@H+]1CCCN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000069084074 353143728 /nfs/dbraw/zinc/14/37/28/353143728.db2.gz NQZNQOSOCUBMKZ-UHFFFAOYSA-N 1 0 320.393 1.949 20 5 DDBDRO NC(=O)C[C@H]1CCCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083169808 353706498 /nfs/dbraw/zinc/70/64/98/353706498.db2.gz POKNSRRWZDGIAX-SNVBAGLBSA-N 1 0 318.333 1.966 20 5 DDBDRO COCC[C@@H](C)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000088525809 353756016 /nfs/dbraw/zinc/75/60/16/353756016.db2.gz HYHOJYOSNFINAM-CYBMUJFWSA-N 1 0 321.377 1.778 20 5 DDBDRO COc1ccc(C(=O)N2CCC[N@@H+](C3CC3)CC2)cc1[N+](=O)[O-] ZINC000149259891 354172299 /nfs/dbraw/zinc/17/22/99/354172299.db2.gz RSIMOPACNOSSRO-UHFFFAOYSA-N 1 0 319.361 1.914 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@@H]([NH3+])C[C@@H]1C ZINC000156122501 354217457 /nfs/dbraw/zinc/21/74/57/354217457.db2.gz KNVCAPGFEFFBOY-WDEREUQCSA-N 1 0 313.379 1.404 20 5 DDBDRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000153753512 354200533 /nfs/dbraw/zinc/20/05/33/354200533.db2.gz GUAOYOSIEOWSOT-OAHLLOKOSA-N 1 0 305.378 1.936 20 5 DDBDRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CCO1 ZINC000156424078 354219266 /nfs/dbraw/zinc/21/92/66/354219266.db2.gz FYXYLBDTLRPUHB-KCJUWKMLSA-N 1 0 313.741 1.436 20 5 DDBDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000176858889 198629546 /nfs/dbraw/zinc/62/95/46/198629546.db2.gz MVKRULFYDZHQGY-ZDUSSCGKSA-N 1 0 323.393 1.990 20 5 DDBDRO CC[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCNC1=O ZINC000281637665 354426521 /nfs/dbraw/zinc/42/65/21/354426521.db2.gz IKFUQXXBJXCVJS-AWEZNQCLSA-N 1 0 307.350 1.574 20 5 DDBDRO [NH3+]CC1(CCNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000404816716 354676871 /nfs/dbraw/zinc/67/68/71/354676871.db2.gz BMXAIRQFIMDOCE-UHFFFAOYSA-N 1 0 313.379 1.143 20 5 DDBDRO O=[N+]([O-])c1c2cccnc2ccc1N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000405198888 354677179 /nfs/dbraw/zinc/67/71/79/354677179.db2.gz BWMVQWJFPCSUSN-NWDGAFQWSA-N 1 0 314.345 1.398 20 5 DDBDRO C[C@@H](CNc1cc(N)c([N+](=O)[O-])c(CO)c1)C[NH+]1CCOCC1 ZINC000587982594 354888770 /nfs/dbraw/zinc/88/87/70/354888770.db2.gz ZRBVLVYJNUYHSZ-NSHDSACASA-N 1 0 324.381 1.050 20 5 DDBDRO CC[N@@H+]1CCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C[C@@H]1C ZINC000588006066 354892799 /nfs/dbraw/zinc/89/27/99/354892799.db2.gz PRHHALNBVDCFBU-JTQLQIEISA-N 1 0 317.349 1.774 20 5 DDBDRO CCn1c(C)nc([N+](=O)[O-])c1NCC[NH+]1CCC(OC)CC1 ZINC000588822645 354939512 /nfs/dbraw/zinc/93/95/12/354939512.db2.gz ZILLNMYZDYZKOP-UHFFFAOYSA-N 1 0 311.386 1.642 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)c1 ZINC000590442948 355097854 /nfs/dbraw/zinc/09/78/54/355097854.db2.gz IGLRAPYLOKYOIF-IINYFYTJSA-N 1 0 305.334 1.380 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(Cc3cc4c(cc3[N+](=O)[O-])OCCO4)C[C@@H]21 ZINC000590659983 355139870 /nfs/dbraw/zinc/13/98/70/355139870.db2.gz IFUVOIPTWGWBPL-RISCZKNCSA-N 1 0 319.361 1.502 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H](O)[C@H]1C ZINC000591039637 355237957 /nfs/dbraw/zinc/23/79/57/355237957.db2.gz WWBFMBXHYVEAPY-ZWNOBZJWSA-N 1 0 323.349 1.387 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000591271649 355274446 /nfs/dbraw/zinc/27/44/46/355274446.db2.gz ATKOZYUKKNNAMM-ZWNOBZJWSA-N 1 0 308.338 1.483 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000591270375 355274661 /nfs/dbraw/zinc/27/46/61/355274661.db2.gz CGAJCAXJMFNZBZ-SNVBAGLBSA-N 1 0 308.338 1.867 20 5 DDBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000591348269 355294391 /nfs/dbraw/zinc/29/43/91/355294391.db2.gz IWVYMWGASUTKET-OCCSQVGLSA-N 1 0 304.350 1.488 20 5 DDBDRO [NH3+]C[C@H]1CCCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000591347072 355294522 /nfs/dbraw/zinc/29/45/22/355294522.db2.gz QHIFMANZZFLGHU-CYBMUJFWSA-N 1 0 306.366 1.518 20 5 DDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])NC[C@H]1CCCC[NH2+]1 ZINC000591353312 355296650 /nfs/dbraw/zinc/29/66/50/355296650.db2.gz QULAGLNOWZYZAB-CYBMUJFWSA-N 1 0 306.366 1.579 20 5 DDBDRO Cc1c(CNC(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)cccc1[N+](=O)[O-] ZINC000591357072 355298875 /nfs/dbraw/zinc/29/88/75/355298875.db2.gz WLZITCJXHIRUJF-SMDDNHRTSA-N 1 0 322.365 1.161 20 5 DDBDRO CC1(C)C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@H](CO)O1 ZINC000591475982 355320254 /nfs/dbraw/zinc/32/02/54/355320254.db2.gz MUVPKOPVXLVLOA-OAHLLOKOSA-N 1 0 324.377 1.835 20 5 DDBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NC(C)(C)CC[NH3+] ZINC000591560823 355327669 /nfs/dbraw/zinc/32/76/69/355327669.db2.gz APXIZFUNWQOZMF-UHFFFAOYSA-N 1 0 317.367 1.009 20 5 DDBDRO C[C@H]1C[NH2+]CC[C@@H]1NCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000591279356 355276868 /nfs/dbraw/zinc/27/68/68/355276868.db2.gz MUIZNVXEDLUKHB-JQWIXIFHSA-N 1 0 307.350 1.454 20 5 DDBDRO C[C@H]1C[C@H](NCc2cc3c(cc2[N+](=O)[O-])OCCO3)CC[NH2+]1 ZINC000591278409 355277107 /nfs/dbraw/zinc/27/71/07/355277107.db2.gz ZEJUKCQGVSCWFB-CMPLNLGQSA-N 1 0 307.350 1.596 20 5 DDBDRO Cc1cc(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000591740934 355375628 /nfs/dbraw/zinc/37/56/28/355375628.db2.gz KPPBQZKKHLNHGR-ZDUSSCGKSA-N 1 0 306.322 1.156 20 5 DDBDRO O=C([C@@H]1C[NH2+]CCC1(F)F)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000591675038 355359573 /nfs/dbraw/zinc/35/95/73/355359573.db2.gz NBYVWTBKYONJSF-NSHDSACASA-N 1 0 311.288 1.729 20 5 DDBDRO COc1c(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000332655735 235248658 /nfs/dbraw/zinc/24/86/58/235248658.db2.gz VPKMKKBQWMATET-NSHDSACASA-N 1 0 305.334 1.524 20 5 DDBDRO CCOC(=O)c1cc(C(=O)N2CC[C@@H](C[NH3+])C2)cc([N+](=O)[O-])c1 ZINC000592294576 355554108 /nfs/dbraw/zinc/55/41/08/355554108.db2.gz FQUUJECLWZOLBI-JTQLQIEISA-N 1 0 321.333 1.192 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N(C)CCC[NH3+] ZINC000592372576 355569357 /nfs/dbraw/zinc/56/93/57/355569357.db2.gz NAWHWSCCQABEEM-UHFFFAOYSA-N 1 0 301.368 1.181 20 5 DDBDRO CC[C@H]1CN(C(=O)CNc2ccccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000592544647 355622736 /nfs/dbraw/zinc/62/27/36/355622736.db2.gz FAGKVGWVGSTBHL-RYUDHWBXSA-N 1 0 306.366 1.593 20 5 DDBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000592568769 355632663 /nfs/dbraw/zinc/63/26/63/355632663.db2.gz YUSOMNBLHBVKAN-MNOVXSKESA-N 1 0 317.349 1.636 20 5 DDBDRO CCCN(C(=O)c1nn(CC)cc1[N+](=O)[O-])[C@@H]1CC[N@H+](C)C1 ZINC000592829528 355705823 /nfs/dbraw/zinc/70/58/23/355705823.db2.gz PXAUPDBGVILBPO-LLVKDONJSA-N 1 0 309.370 1.368 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H](C)[C@H]2CCOC2)c1 ZINC000593024621 355772387 /nfs/dbraw/zinc/77/23/87/355772387.db2.gz OVFWNASGSVDUHA-JQWIXIFHSA-N 1 0 308.334 1.896 20 5 DDBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593519674 355912608 /nfs/dbraw/zinc/91/26/08/355912608.db2.gz AOBQPXFRMSGWTM-IINYFYTJSA-N 1 0 321.352 1.875 20 5 DDBDRO CC(C)C[N@H+](C)CCCNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000593754939 355987474 /nfs/dbraw/zinc/98/74/74/355987474.db2.gz ULANOVKMUFEBCU-UHFFFAOYSA-N 1 0 310.354 1.403 20 5 DDBDRO CNc1ccc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1[N+](=O)[O-] ZINC000593914614 356057147 /nfs/dbraw/zinc/05/71/47/356057147.db2.gz LNEBUYRKNIPIES-LRDDRELGSA-N 1 0 318.377 1.838 20 5 DDBDRO CN(CC(=O)NCCC1(C[NH3+])CC1)c1ccccc1[N+](=O)[O-] ZINC000593914391 356057310 /nfs/dbraw/zinc/05/73/10/356057310.db2.gz JYFQJRIUNNZEFW-UHFFFAOYSA-N 1 0 306.366 1.276 20 5 DDBDRO C[C@H]1CCCN(C(=O)COc2ccccc2[N+](=O)[O-])[C@H]1CC[NH3+] ZINC000593914184 356057378 /nfs/dbraw/zinc/05/73/78/356057378.db2.gz ANBTZZROVDMOEY-STQMWFEESA-N 1 0 321.377 1.950 20 5 DDBDRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000593918475 356060457 /nfs/dbraw/zinc/06/04/57/356060457.db2.gz DWXWWRUMZQNCTR-KGYLQXTDSA-N 1 0 322.365 1.424 20 5 DDBDRO COc1cc(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000594102305 356112737 /nfs/dbraw/zinc/11/27/37/356112737.db2.gz JGACHESVJKORKU-KLPPZKSPSA-N 1 0 307.350 1.673 20 5 DDBDRO COCC[N@H+](C)C[C@@H](O)CN[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000593969923 356076893 /nfs/dbraw/zinc/07/68/93/356076893.db2.gz GNYIHCASRJFJJM-STQMWFEESA-N 1 0 311.382 1.185 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)n1 ZINC000594198105 356136864 /nfs/dbraw/zinc/13/68/64/356136864.db2.gz RXLMSIDMLHIFIY-NEPJUHHUSA-N 1 0 321.381 1.558 20 5 DDBDRO O=C(CCn1cc([N+](=O)[O-])cn1)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594198111 356137578 /nfs/dbraw/zinc/13/75/78/356137578.db2.gz CXFPOGWXZNSHNF-UONOGXRCSA-N 1 0 321.381 1.315 20 5 DDBDRO Cc1nn(C)c(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000594200421 356138107 /nfs/dbraw/zinc/13/81/07/356138107.db2.gz LVXPZTJKPOFQEM-VXGBXAGGSA-N 1 0 321.381 1.383 20 5 DDBDRO C[C@@H](NC(=O)N[C@@H](C[NH3+])C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000594524933 356243350 /nfs/dbraw/zinc/24/33/50/356243350.db2.gz NQKPAUOFJWAZCY-XCBNKYQSSA-N 1 0 320.271 1.845 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@]1(O)CCO[C@H]1C ZINC000595053513 356376501 /nfs/dbraw/zinc/37/65/01/356376501.db2.gz KOXAJRMDEOYMEV-ZIBATOQPSA-N 1 0 310.350 1.794 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H]1CCCNC1=O ZINC000595050772 356376568 /nfs/dbraw/zinc/37/65/68/356376568.db2.gz KKZPUNSTTWVBOV-WDEREUQCSA-N 1 0 307.350 1.780 20 5 DDBDRO CC(C)C[C@](C)(C[NH3+])NS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000595102632 356382626 /nfs/dbraw/zinc/38/26/26/356382626.db2.gz PJRLJPAERXEMBO-GFCCVEGCSA-N 1 0 316.383 1.032 20 5 DDBDRO C[NH2+]C[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000595118656 356385343 /nfs/dbraw/zinc/38/53/43/356385343.db2.gz FTSSKJFRRNIEMT-VIFPVBQESA-N 1 0 324.362 1.029 20 5 DDBDRO [NH3+]C[C@@H]1Cc2ccccc2N(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000601334837 358503617 /nfs/dbraw/zinc/50/36/17/358503617.db2.gz CWUQTGCSOLRPLC-LBPRGKRZSA-N 1 0 301.350 1.429 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000347037647 283156931 /nfs/dbraw/zinc/15/69/31/283156931.db2.gz NLSMJBJYMIYOIN-UHFFFAOYSA-N 1 0 309.370 1.323 20 5 DDBDRO [NH3+][C@@H]1CN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC[C@H]1F ZINC000595260529 356423856 /nfs/dbraw/zinc/42/38/56/356423856.db2.gz BBUGKOPAOHLRAC-VXGBXAGGSA-N 1 0 322.340 1.680 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NCC12CC(C1)C[NH2+]2 ZINC000595264311 356425307 /nfs/dbraw/zinc/42/53/07/356425307.db2.gz UACOCEFBSVDGRN-UHFFFAOYSA-N 1 0 320.349 1.155 20 5 DDBDRO O=C(NCCNc1cc[nH+]cc1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000347081202 283168920 /nfs/dbraw/zinc/16/89/20/283168920.db2.gz XHOODSYUIRRMLP-UHFFFAOYSA-N 1 0 320.736 1.907 20 5 DDBDRO CO[C@H](C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)[C@H]1CCOC1 ZINC000595478638 356509948 /nfs/dbraw/zinc/50/99/48/356509948.db2.gz COYKCNZOALZEOX-GXTWGEPZSA-N 1 0 324.381 1.480 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](CO)C1CCC1 ZINC000595615051 356577966 /nfs/dbraw/zinc/57/79/66/356577966.db2.gz FXKBLQDBOKGYRE-AWEZNQCLSA-N 1 0 307.350 1.592 20 5 DDBDRO COc1ccc(OCC[NH2+][C@@H](CO)C2CCC2)c([N+](=O)[O-])c1 ZINC000595613799 356578169 /nfs/dbraw/zinc/57/81/69/356578169.db2.gz AZGDWXGBKRKSIZ-ZDUSSCGKSA-N 1 0 310.350 1.733 20 5 DDBDRO CCOc1ccc(C(=O)N2CCC[C@H]2C[NH2+]C)cc1[N+](=O)[O-] ZINC000236901997 202061067 /nfs/dbraw/zinc/06/10/67/202061067.db2.gz ZYHWEUYZOXUCQQ-LBPRGKRZSA-N 1 0 307.350 1.818 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@@H]1[C@H](C)O ZINC000595766572 356644113 /nfs/dbraw/zinc/64/41/13/356644113.db2.gz PTLZZEXXRHWWMI-GXFFZTMASA-N 1 0 323.349 1.387 20 5 DDBDRO C[C@@H]1CC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000595780369 356649630 /nfs/dbraw/zinc/64/96/30/356649630.db2.gz JMBAMDRQYWRXEN-HZSPNIEDSA-N 1 0 324.377 1.834 20 5 DDBDRO C[C@@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@]1(C)CO ZINC000595868950 356684569 /nfs/dbraw/zinc/68/45/69/356684569.db2.gz CNXFAHGXXPBUCR-WBMJQRKESA-N 1 0 321.377 1.874 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[N@H+]2C[C@]34COC[C@@]3(C2)CCCC4)n1 ZINC000595911738 356702344 /nfs/dbraw/zinc/70/23/44/356702344.db2.gz WNUBMJSXJVFCFI-GASCZTMLSA-N 1 0 306.366 1.684 20 5 DDBDRO CC[C@@H]([NH2+]C)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000595920290 356704909 /nfs/dbraw/zinc/70/49/09/356704909.db2.gz QHPWKJDQAORFGJ-CQSZACIVSA-N 1 0 306.366 1.241 20 5 DDBDRO Nc1ccc(N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)nc1[N+](=O)[O-] ZINC000596014442 356746670 /nfs/dbraw/zinc/74/66/70/356746670.db2.gz QAQANBHIWGNIAY-VXGBXAGGSA-N 1 0 305.382 1.788 20 5 DDBDRO COC(=O)c1cc(NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)cc([N+](=O)[O-])c1 ZINC000237186239 202180331 /nfs/dbraw/zinc/18/03/31/202180331.db2.gz BDIVQYQVCLZHCF-PSASIEDQSA-N 1 0 307.306 1.447 20 5 DDBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000596262770 356836470 /nfs/dbraw/zinc/83/64/70/356836470.db2.gz BUZMRPMZLMPEAC-UHFFFAOYSA-N 1 0 320.393 1.629 20 5 DDBDRO COc1cccc([N+](=O)[O-])c1N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000596537902 356910156 /nfs/dbraw/zinc/91/01/56/356910156.db2.gz JLHXGRCLCIBOHX-ZDUSSCGKSA-N 1 0 321.377 1.639 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(N2CCC([N@@H+]3CC[C@H](O)C3)CC2)c1 ZINC000596537854 356910323 /nfs/dbraw/zinc/91/03/23/356910323.db2.gz INFITWAPNXWMAR-ZDUSSCGKSA-N 1 0 321.377 1.639 20 5 DDBDRO CCOC(=O)[C@@H](C)[C@@H](C)[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000358786068 299254135 /nfs/dbraw/zinc/25/41/35/299254135.db2.gz BIEGJPJPHPJGFY-WDEREUQCSA-N 1 0 323.349 1.711 20 5 DDBDRO COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000597118568 357065824 /nfs/dbraw/zinc/06/58/24/357065824.db2.gz YHIQTWKPHPWEAC-JMJZKYOTSA-N 1 0 318.333 1.758 20 5 DDBDRO COc1ccc(CNC(=O)N[C@@]2(C)CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000597432500 357174341 /nfs/dbraw/zinc/17/43/41/357174341.db2.gz BVGXEMJWKGGHJG-AWEZNQCLSA-N 1 0 308.338 1.155 20 5 DDBDRO CCc1n[nH]c(C(=O)N2CCC[N@@H+](C)C[C@@H]2CC)c1[N+](=O)[O-] ZINC000597603806 357250489 /nfs/dbraw/zinc/25/04/89/357250489.db2.gz DYOBGHRWLUHRIW-JTQLQIEISA-N 1 0 309.370 1.437 20 5 DDBDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000598262878 357513280 /nfs/dbraw/zinc/51/32/80/357513280.db2.gz NDCKSBIZCSIADA-GFCCVEGCSA-N 1 0 309.370 1.028 20 5 DDBDRO CCC[N@@H+]1CC[C@@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000598342911 357545556 /nfs/dbraw/zinc/54/55/56/357545556.db2.gz OUHWMDXRELPQTR-GFCCVEGCSA-N 1 0 307.350 1.574 20 5 DDBDRO COC(=O)c1ccnc(N(C)C[C@H]2CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000598599039 357648589 /nfs/dbraw/zinc/64/85/89/357648589.db2.gz XGYCLEANRXFIBH-NSHDSACASA-N 1 0 322.365 1.554 20 5 DDBDRO COc1cc(C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)cc([N+](=O)[O-])c1C ZINC000598668245 357678304 /nfs/dbraw/zinc/67/83/04/357678304.db2.gz RCOPRGZQYWYCNQ-LRDDRELGSA-N 1 0 319.361 1.865 20 5 DDBDRO COC(=O)c1ccnc(N(C)C[C@@H]2CCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000598631031 357662631 /nfs/dbraw/zinc/66/26/31/357662631.db2.gz NYCNXFPSMPWJKQ-JTQLQIEISA-N 1 0 308.338 1.307 20 5 DDBDRO CC(C)[C@H]1CN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000598569246 357634795 /nfs/dbraw/zinc/63/47/95/357634795.db2.gz CBEHFRMHPQFACE-CYBMUJFWSA-N 1 0 309.341 1.733 20 5 DDBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000598680801 357685056 /nfs/dbraw/zinc/68/50/56/357685056.db2.gz DIVCZJXYQZUXHK-XHBSWPGZSA-N 1 0 318.377 1.735 20 5 DDBDRO CN1CCC[C@H]1C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000599087878 357811108 /nfs/dbraw/zinc/81/11/08/357811108.db2.gz NBKUJHWAJQTXOG-MJBXVCDLSA-N 1 0 307.398 1.959 20 5 DDBDRO CC(C)[C@H]1C[NH2+]CCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000599101537 357816176 /nfs/dbraw/zinc/81/61/76/357816176.db2.gz LMBMLDZLMSREJF-CYBMUJFWSA-N 1 0 313.379 1.213 20 5 DDBDRO Cc1ccc(S(=O)(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)cc1[N+](=O)[O-] ZINC000599106158 357817584 /nfs/dbraw/zinc/81/75/84/357817584.db2.gz SVOCSCOQQOOTRA-GHMZBOCLSA-N 1 0 313.379 1.322 20 5 DDBDRO Cc1cc(N2CCC(C)([NH+]3CCOCC3)CC2)ncc1[N+](=O)[O-] ZINC000599159547 357832659 /nfs/dbraw/zinc/83/26/59/357832659.db2.gz AAVJMLDSEXXMEX-UHFFFAOYSA-N 1 0 320.393 1.989 20 5 DDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)CC1(C)COC1 ZINC000599571754 357979339 /nfs/dbraw/zinc/97/93/39/357979339.db2.gz ULTOUURXPKGKJV-LLVKDONJSA-N 1 0 307.350 1.890 20 5 DDBDRO C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000599625488 357997232 /nfs/dbraw/zinc/99/72/32/357997232.db2.gz MHESYJLWLJYMTL-OVZMXSCWSA-N 1 0 321.377 1.959 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000599684809 358024085 /nfs/dbraw/zinc/02/40/85/358024085.db2.gz RDXKLOHSNOQUGW-CAVOSLQRSA-N 1 0 322.361 1.180 20 5 DDBDRO CC(=O)NC[C@H]1CCCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000599704831 358033345 /nfs/dbraw/zinc/03/33/45/358033345.db2.gz UVHWKCCOKKHLPY-CQSZACIVSA-N 1 0 321.377 1.964 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000599753570 358048109 /nfs/dbraw/zinc/04/81/09/358048109.db2.gz ORTJFNXWKLYCPG-LBPRGKRZSA-N 1 0 322.365 1.400 20 5 DDBDRO C[C@@H]1CC[C@@H](NC(=O)NCCc2ccccc2[N+](=O)[O-])C[NH2+]1 ZINC000599918762 358080227 /nfs/dbraw/zinc/08/02/27/358080227.db2.gz KHNBWZCNGDQFTI-DGCLKSJQSA-N 1 0 306.366 1.577 20 5 DDBDRO C[NH2+]CCOCCN(C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000600771772 358311456 /nfs/dbraw/zinc/31/14/56/358311456.db2.gz BBBDXECSZRTEHE-UHFFFAOYSA-N 1 0 301.774 1.916 20 5 DDBDRO COc1cc(CN[C@H]2CC[C@@H](C)[NH2+]C2)c([N+](=O)[O-])cc1OC ZINC000600679636 358281210 /nfs/dbraw/zinc/28/12/10/358281210.db2.gz MKXUSRQFXWXVGH-PWSUYJOCSA-N 1 0 309.366 1.842 20 5 DDBDRO C[NH2+]C1(CNC(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)CCC1 ZINC000600823476 358326240 /nfs/dbraw/zinc/32/62/40/358326240.db2.gz FNNYWMVQYYGWOQ-UHFFFAOYSA-N 1 0 307.350 1.404 20 5 DDBDRO COC(=O)c1ccnc(N2C[C@@H]3CC[N@H+](C)C[C@@H]3C2)c1[N+](=O)[O-] ZINC000601185727 358438763 /nfs/dbraw/zinc/43/87/63/358438763.db2.gz ZZPSEZOONANOML-WDEREUQCSA-N 1 0 320.349 1.164 20 5 DDBDRO O=C(COc1ccccc1[N+](=O)[O-])N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000601556605 358599082 /nfs/dbraw/zinc/59/90/82/358599082.db2.gz MBBVXSKSAZHWMF-CHWSQXEVSA-N 1 0 319.361 1.574 20 5 DDBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000602150413 358848951 /nfs/dbraw/zinc/84/89/51/358848951.db2.gz JFACJAGRBHTOFW-ZDUSSCGKSA-N 1 0 305.378 1.938 20 5 DDBDRO C[C@H](O)C[C@H](C)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602557737 359043950 /nfs/dbraw/zinc/04/39/50/359043950.db2.gz HBQYUMKXAUHSLB-STQMWFEESA-N 1 0 322.409 1.955 20 5 DDBDRO CN(CCOCC[NH3+])C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000602560778 359046080 /nfs/dbraw/zinc/04/60/80/359046080.db2.gz UGFBRKDEPMUVQL-UHFFFAOYSA-N 1 0 301.730 1.296 20 5 DDBDRO CCOCCC[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602501542 359016261 /nfs/dbraw/zinc/01/62/61/359016261.db2.gz IDDJCOIEGGLOGC-UHFFFAOYSA-N 1 0 308.382 1.975 20 5 DDBDRO COCCO[C@H]1COCC[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602626400 359082265 /nfs/dbraw/zinc/08/22/65/359082265.db2.gz YOPFKKUUZKLWPK-HOTGVXAUSA-N 1 0 324.377 1.547 20 5 DDBDRO CC[C@H](CCO)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602574763 359051097 /nfs/dbraw/zinc/05/10/97/359051097.db2.gz ZKXAMVZVFDLPCP-CYBMUJFWSA-N 1 0 322.409 1.957 20 5 DDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000602592956 359060068 /nfs/dbraw/zinc/06/00/68/359060068.db2.gz VIUXZJMQFBJMER-PHIMTYICSA-N 1 0 309.753 1.754 20 5 DDBDRO COCCOC[C@H]1CC[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602787579 359192182 /nfs/dbraw/zinc/19/21/82/359192182.db2.gz ZOTXGDGPARUUSI-ZDUSSCGKSA-N 1 0 312.370 1.085 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H](CO)CCF)CC2)cn1 ZINC000602709110 359140372 /nfs/dbraw/zinc/14/03/72/359140372.db2.gz AVCWMWLYKUSNEF-LBPRGKRZSA-N 1 0 312.345 1.269 20 5 DDBDRO CO[C@@H]1C[C@@H]([N@H+](C)CCn2c(C)ncc2[N+](=O)[O-])C12CCC2 ZINC000602839808 359228422 /nfs/dbraw/zinc/22/84/22/359228422.db2.gz LWLCLUUFYHDRQI-CHWSQXEVSA-N 1 0 308.382 1.989 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CCN1C[C@H](C)O[C@](C)(C(F)F)C1 ZINC000602903945 359284391 /nfs/dbraw/zinc/28/43/91/359284391.db2.gz TXDYOPWNQBLLJV-ZANVPECISA-N 1 0 318.324 1.844 20 5 DDBDRO Cn1c(C(=O)N2CC[N@H+](C)[C@@H](C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000603142474 359431262 /nfs/dbraw/zinc/43/12/62/359431262.db2.gz MVMWJFKYMSUFJE-GFCCVEGCSA-N 1 0 308.382 1.736 20 5 DDBDRO C[C@H]([NH2+][C@@H]1C[C@H](O)C1(C)C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000565666772 304083300 /nfs/dbraw/zinc/08/33/00/304083300.db2.gz STZBYVURNRLREI-BIMULSAOSA-N 1 0 307.350 1.671 20 5 DDBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)n1cc(C[C@H]2CC[NH2+]C2)nn1 ZINC000603185824 359465493 /nfs/dbraw/zinc/46/54/93/359465493.db2.gz OBNPPLBWRWYEIQ-NWDGAFQWSA-N 1 0 301.350 1.948 20 5 DDBDRO C[C@H](c1ccccc1[N+](=O)[O-])n1cc(CN2CC[NH2+]CC2)nn1 ZINC000603218913 359490587 /nfs/dbraw/zinc/49/05/87/359490587.db2.gz NOHQJHAGSWDQLO-GFCCVEGCSA-N 1 0 316.365 1.201 20 5 DDBDRO COc1cc([N+](=O)[O-])cn(CC[NH+]2C[C@H](C)C[C@@H](C)C2)c1=O ZINC000603356605 359590618 /nfs/dbraw/zinc/59/06/18/359590618.db2.gz BNDXTKHCVDDRNA-VXGBXAGGSA-N 1 0 309.366 1.743 20 5 DDBDRO CN(CC[N@H+](C)C1CC1)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000187732796 200149794 /nfs/dbraw/zinc/14/97/94/200149794.db2.gz LBLUBJXYIIUCEN-UHFFFAOYSA-N 1 0 320.349 1.086 20 5 DDBDRO C[C@@H]1CN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000187743253 200152032 /nfs/dbraw/zinc/15/20/32/200152032.db2.gz SZKWSCAAEGVIMB-LLVKDONJSA-N 1 0 313.785 1.747 20 5 DDBDRO [NH3+]CC1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000237813445 202361161 /nfs/dbraw/zinc/36/11/61/202361161.db2.gz TZYMHSQYXDESCN-UHFFFAOYSA-N 1 0 303.322 1.282 20 5 DDBDRO C[NH+](C)C[C@H]1CCCCN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000609154023 360268493 /nfs/dbraw/zinc/26/84/93/360268493.db2.gz QXTHTYDUXXOUGY-CQSZACIVSA-N 1 0 321.377 1.916 20 5 DDBDRO C[N@@H+]1CCC[C@H](NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000609257605 360277392 /nfs/dbraw/zinc/27/73/92/360277392.db2.gz DPMJWPHMXFGZLZ-JTQLQIEISA-N 1 0 302.334 1.900 20 5 DDBDRO CC(C)[C@](C)(O)C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000609571600 360326268 /nfs/dbraw/zinc/32/62/68/360326268.db2.gz VFYSLXLHLZXOPT-OAHLLOKOSA-N 1 0 310.350 1.863 20 5 DDBDRO COC1CC[NH+](CCNC(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000610571612 360472572 /nfs/dbraw/zinc/47/25/72/360472572.db2.gz ITSIBYZYDIPEIG-UHFFFAOYSA-N 1 0 313.379 1.497 20 5 DDBDRO C[C@@H]1C[C@@H](NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C[N@@H+]1C1CC1 ZINC000610654055 360492317 /nfs/dbraw/zinc/49/23/17/360492317.db2.gz GVVMHBIWPJJXLJ-GHMZBOCLSA-N 1 0 321.381 1.268 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC000610798377 360539896 /nfs/dbraw/zinc/53/98/96/360539896.db2.gz YNEGUSPLHCJQFX-NEPJUHHUSA-N 1 0 312.391 1.989 20 5 DDBDRO CC(C)([NH2+]CCn1ccc([N+](=O)[O-])n1)C(=O)Nc1ccccc1 ZINC000610844374 360551611 /nfs/dbraw/zinc/55/16/11/360551611.db2.gz MIZLKMVAWKOSTL-UHFFFAOYSA-N 1 0 317.349 1.798 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C1(CCO)CCN(C)CC1 ZINC000565842898 304097852 /nfs/dbraw/zinc/09/78/52/304097852.db2.gz IJVCRTVLODCGHU-UHFFFAOYSA-N 1 0 307.394 1.840 20 5 DDBDRO Cc1cc(NCCC[N@@H+]2CCC[C@H]2C(N)=O)c(F)cc1[N+](=O)[O-] ZINC000292689341 223202477 /nfs/dbraw/zinc/20/24/77/223202477.db2.gz RKWLPQWSIPODIZ-ZDUSSCGKSA-N 1 0 324.356 1.794 20 5 DDBDRO [NH3+]C[C@@H]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 ZINC000565932541 304104224 /nfs/dbraw/zinc/10/42/24/304104224.db2.gz YVXZWNSFLHPFIQ-ZJUUUORDSA-N 1 0 321.333 1.223 20 5 DDBDRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000619578151 364070997 /nfs/dbraw/zinc/07/09/97/364070997.db2.gz AZYZTKRUBVPFSB-CYBMUJFWSA-N 1 0 323.397 1.433 20 5 DDBDRO CCOC(=O)c1ccnc(NCC2=CC[N@H+](C)CC2)c1[N+](=O)[O-] ZINC000271817432 209240597 /nfs/dbraw/zinc/24/05/97/209240597.db2.gz MYUYDSLZCDEISC-UHFFFAOYSA-N 1 0 320.349 1.840 20 5 DDBDRO C[NH+](C)C1(CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000275487428 212366933 /nfs/dbraw/zinc/36/69/33/212366933.db2.gz PBXXMMJFWMVTMR-UHFFFAOYSA-N 1 0 320.393 1.921 20 5 DDBDRO CC[N@H+](CCCO)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000275433576 212329984 /nfs/dbraw/zinc/32/99/84/212329984.db2.gz FSZFUDSDGWBQKM-UHFFFAOYSA-N 1 0 313.329 1.767 20 5 DDBDRO C[N@H+](CCCCO)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000349932666 284109357 /nfs/dbraw/zinc/10/93/57/284109357.db2.gz FMLQGYGONXJKBA-UHFFFAOYSA-N 1 0 323.349 1.597 20 5 DDBDRO [NH3+]C1CCN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC1 ZINC000262057048 203185302 /nfs/dbraw/zinc/18/53/02/203185302.db2.gz HZTJDEUBSVMWNO-UHFFFAOYSA-N 1 0 315.333 1.344 20 5 DDBDRO COCC[NH2+]C1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000566365687 304149310 /nfs/dbraw/zinc/14/93/10/304149310.db2.gz XGYROSPAYKGDAT-UHFFFAOYSA-N 1 0 322.365 1.827 20 5 DDBDRO COCC1(C(=O)NCCc2ccccc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000262401402 203285510 /nfs/dbraw/zinc/28/55/10/203285510.db2.gz RCZOFYRYEZNEGY-UHFFFAOYSA-N 1 0 321.377 1.270 20 5 DDBDRO CC(C)(C[NH3+])NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000262541884 203324728 /nfs/dbraw/zinc/32/47/28/203324728.db2.gz GSMAHWQPUKXNIR-UHFFFAOYSA-N 1 0 306.366 1.662 20 5 DDBDRO C[N@H+](CCNc1ncc([N+](=O)[O-])cc1C(N)=O)C1CCCC1 ZINC000264329109 203854095 /nfs/dbraw/zinc/85/40/95/203854095.db2.gz WQWYFKPXMYBOBJ-UHFFFAOYSA-N 1 0 307.354 1.375 20 5 DDBDRO CCCc1n[nH]c(C(=O)NCCC[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000264575816 204006783 /nfs/dbraw/zinc/00/67/83/204006783.db2.gz XYUKHULQPRBCJS-UHFFFAOYSA-N 1 0 323.397 1.876 20 5 DDBDRO O=C(Cn1ccc([N+](=O)[O-])n1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000266115842 205110311 /nfs/dbraw/zinc/11/03/11/205110311.db2.gz IBMVMGQWSLGASP-ZDUSSCGKSA-N 1 0 321.381 1.126 20 5 DDBDRO C[C@H](O)C[C@H](C)C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000566620695 304172236 /nfs/dbraw/zinc/17/22/36/304172236.db2.gz QJXQCAIHDKQBKU-RYUDHWBXSA-N 1 0 309.366 1.920 20 5 DDBDRO Cc1n[nH]c(C(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000288473196 220165017 /nfs/dbraw/zinc/16/50/17/220165017.db2.gz QNIACTBUTYEIDS-GXSJLCMTSA-N 1 0 307.354 1.325 20 5 DDBDRO CN1CC[NH2+]C[C@@H]1CNc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000394820512 307295800 /nfs/dbraw/zinc/29/58/00/307295800.db2.gz UBZWVYRHORHCMP-MRVPVSSYSA-N 1 0 319.287 1.324 20 5 DDBDRO COc1c(C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000334084035 249209201 /nfs/dbraw/zinc/20/92/01/249209201.db2.gz WDAMABMGWKCZLV-MNOVXSKESA-N 1 0 307.350 1.816 20 5 DDBDRO CC[C@H](NC(=O)COc1ccccc1[N+](=O)[O-])c1ncc[nH]1 ZINC000336861380 249270485 /nfs/dbraw/zinc/27/04/85/249270485.db2.gz ZVEXKOICQNMJOR-JTQLQIEISA-N 1 0 304.306 1.964 20 5 DDBDRO CNc1ccc(C(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000567580358 304227119 /nfs/dbraw/zinc/22/71/19/304227119.db2.gz ZGTZWNJAIRVWMR-ZYHUDNBSSA-N 1 0 306.366 1.693 20 5 DDBDRO CC[C@H]([NH2+]C[C@@H]1CN(C)CCN1C)c1cccc([N+](=O)[O-])c1 ZINC000268961856 207125912 /nfs/dbraw/zinc/12/59/12/207125912.db2.gz XKTLGIHFIJXNHL-CVEARBPZSA-N 1 0 306.410 1.881 20 5 DDBDRO C[C@H]1C[C@H](NC(=O)NCCc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000341025437 251344624 /nfs/dbraw/zinc/34/46/24/251344624.db2.gz JCNSXHOKDYJJTC-GXTWGEPZSA-N 1 0 320.393 1.919 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC(C)(C)C[NH3+])cc1C ZINC000063020549 184267466 /nfs/dbraw/zinc/26/74/66/184267466.db2.gz WJKNXMDBBQKPMM-UHFFFAOYSA-N 1 0 301.368 1.227 20 5 DDBDRO C[C@@H]1CN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC[C@H]1[NH3+] ZINC000269175288 207296051 /nfs/dbraw/zinc/29/60/51/207296051.db2.gz BMJWXEPDFSPFTO-LDYMZIIASA-N 1 0 303.322 1.280 20 5 DDBDRO C[C@H]1CN(C(=O)CSc2ccc([N+](=O)[O-])cc2)CC[C@H]1[NH3+] ZINC000269194252 207315039 /nfs/dbraw/zinc/31/50/39/207315039.db2.gz IDECRZGLVILKAI-GXFFZTMASA-N 1 0 309.391 1.883 20 5 DDBDRO CC1(C)SC[C@@H]1[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000567708856 304235945 /nfs/dbraw/zinc/23/59/45/304235945.db2.gz XXRSJUBJDJCURR-YPMHNXCESA-N 1 0 312.391 1.818 20 5 DDBDRO Cn1c(C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000352333723 284971301 /nfs/dbraw/zinc/97/13/01/284971301.db2.gz WFTIEBLWGWFJJN-GFCCVEGCSA-N 1 0 306.366 1.491 20 5 DDBDRO COc1cc(N2CC[N@H+](CCO)C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000302518616 532955035 /nfs/dbraw/zinc/95/50/35/532955035.db2.gz HYEFVDOCLURBGN-UHFFFAOYSA-N 1 0 309.366 1.496 20 5 DDBDRO Cc1cc(C)c(S(=O)(=O)N2C[C@@H](C)[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000440841495 291821853 /nfs/dbraw/zinc/82/18/53/291821853.db2.gz JBDVQOJNLBZBTJ-GHMZBOCLSA-N 1 0 313.379 1.179 20 5 DDBDRO O=C(CN1CC[C@@H]2OCC[C@@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000567796289 304243021 /nfs/dbraw/zinc/24/30/21/304243021.db2.gz PFMMQLCRDNWMDW-RISCZKNCSA-N 1 0 305.334 1.644 20 5 DDBDRO Cc1c(Cl)cc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000119805106 195040403 /nfs/dbraw/zinc/04/04/03/195040403.db2.gz IXUNDOBMOCXUKI-UHFFFAOYSA-N 1 0 321.786 1.397 20 5 DDBDRO Cc1ccc(N(C)CCC[NH+]2CCN(C)CC2)c([N+](=O)[O-])c1 ZINC000269975211 208027727 /nfs/dbraw/zinc/02/77/27/208027727.db2.gz YSQHTESQLABVGX-UHFFFAOYSA-N 1 0 306.410 1.977 20 5 DDBDRO [NH3+][C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C1 ZINC000157940614 197229675 /nfs/dbraw/zinc/22/96/75/197229675.db2.gz SFGSBSLIXSSPCN-LBPRGKRZSA-N 1 0 318.377 1.758 20 5 DDBDRO C[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CCC[C@H]1O ZINC000352657094 285201175 /nfs/dbraw/zinc/20/11/75/285201175.db2.gz FAMUJIGAQJNBMP-SGMGOOAPSA-N 1 0 310.350 1.180 20 5 DDBDRO O=[N+]([O-])c1ccccc1/C=C\CN1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000352700049 285238195 /nfs/dbraw/zinc/23/81/95/285238195.db2.gz KVOJUDBZFVGWHH-OICCZTGUSA-N 1 0 316.405 1.588 20 5 DDBDRO CN(C(=O)C[NH2+]C(C)(C)C(C)(C)O)c1ccc([N+](=O)[O-])cc1 ZINC000271586507 209036853 /nfs/dbraw/zinc/03/68/53/209036853.db2.gz FMUSBIAYEIKYPT-UHFFFAOYSA-N 1 0 309.366 1.697 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000289781759 221222464 /nfs/dbraw/zinc/22/24/64/221222464.db2.gz NYOFDSPNBHRCHW-NWDGAFQWSA-N 1 0 305.334 1.042 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000414661059 224369125 /nfs/dbraw/zinc/36/91/25/224369125.db2.gz WNZHIPPUIXIRNN-GXSJLCMTSA-N 1 0 308.338 1.723 20 5 DDBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000121124448 195296148 /nfs/dbraw/zinc/29/61/48/195296148.db2.gz WPZVXRQXTAEJLT-DOMZBBRYSA-N 1 0 321.377 1.772 20 5 DDBDRO COC[C@H](CCO)[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447543159 285375363 /nfs/dbraw/zinc/37/53/63/285375363.db2.gz REDOMVRZCDVRCW-AVGNSLFASA-N 1 0 312.370 1.262 20 5 DDBDRO COc1ccc(CNC(=O)N[C@@H](C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000417195328 533625757 /nfs/dbraw/zinc/62/57/57/533625757.db2.gz OBBDNWTWOVHDCK-NSHDSACASA-N 1 0 308.338 1.140 20 5 DDBDRO COc1ccc(CNC(=O)N[C@@H](C[NH3+])CC(C)C)cc1[N+](=O)[O-] ZINC000417192132 533624784 /nfs/dbraw/zinc/62/47/84/533624784.db2.gz KDCSBVDNVYYCJA-GFCCVEGCSA-N 1 0 324.381 1.776 20 5 DDBDRO Cc1n[nH]c(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c1[N+](=O)[O-] ZINC000299585644 533663194 /nfs/dbraw/zinc/66/31/94/533663194.db2.gz YNXQCNISNZMRCP-UHFFFAOYSA-N 1 0 309.370 1.665 20 5 DDBDRO Cc1ccc(S(=O)(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000440426531 292177457 /nfs/dbraw/zinc/17/74/57/292177457.db2.gz PRSDEEJZNWLKJO-WDEREUQCSA-N 1 0 313.379 1.261 20 5 DDBDRO C[NH2+]C[C@H]1CCCN(C(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000569793620 304379695 /nfs/dbraw/zinc/37/96/95/304379695.db2.gz XKGWYIDLFGMGLI-CYBMUJFWSA-N 1 0 306.366 1.736 20 5 DDBDRO Cn1cncc1CC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000569833428 304381050 /nfs/dbraw/zinc/38/10/50/304381050.db2.gz HUJQMZAGXXFPTK-ZIAGYGMSSA-N 1 0 318.381 1.841 20 5 DDBDRO C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CS1 ZINC000570563833 304414967 /nfs/dbraw/zinc/41/49/67/304414967.db2.gz BYFPPYVNCDTZDI-IJLUTSLNSA-N 1 0 312.391 1.818 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000068467968 406644400 /nfs/dbraw/zinc/64/44/00/406644400.db2.gz BRQSHSVCTMVADF-UHFFFAOYSA-N 1 0 323.397 1.290 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000072064511 406873247 /nfs/dbraw/zinc/87/32/47/406873247.db2.gz BPBNUZPXEYORQG-ZIAGYGMSSA-N 1 0 319.361 1.496 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000044529088 407025510 /nfs/dbraw/zinc/02/55/10/407025510.db2.gz ZGWPSIZECFSMJW-NSHDSACASA-N 1 0 313.379 1.263 20 5 DDBDRO CC[NH+]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000048418568 407097215 /nfs/dbraw/zinc/09/72/15/407097215.db2.gz DOUAPWXPQFZBHH-UHFFFAOYSA-N 1 0 306.366 1.479 20 5 DDBDRO Cc1c(NC(=O)C(=O)NC2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000048773669 407108267 /nfs/dbraw/zinc/10/82/67/407108267.db2.gz RFELHAQPKPKFCM-UHFFFAOYSA-N 1 0 320.349 1.052 20 5 DDBDRO C[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CCC[NH2+]C1 ZINC000050163260 407128426 /nfs/dbraw/zinc/12/84/26/407128426.db2.gz ULNYXLXHDOEMLE-MNOVXSKESA-N 1 0 313.379 1.261 20 5 DDBDRO COCCC[N@H+](C)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000067378311 407272263 /nfs/dbraw/zinc/27/22/63/407272263.db2.gz SQEBOBXQAWEDOZ-CQSZACIVSA-N 1 0 307.350 1.668 20 5 DDBDRO Cc1c(CC(=O)N(C)[C@@H]2CCC[N@H+](C)C2)cccc1[N+](=O)[O-] ZINC000125427875 407387911 /nfs/dbraw/zinc/38/79/11/407387911.db2.gz MFGOUYOCESJODV-CQSZACIVSA-N 1 0 305.378 1.998 20 5 DDBDRO O=C(N[C@@H]1CC[NH2+]C1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000126126264 407405286 /nfs/dbraw/zinc/40/52/86/407405286.db2.gz NOKMXFHTGDDRJJ-MRVPVSSYSA-N 1 0 314.139 1.449 20 5 DDBDRO CCCC[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000112364055 407427348 /nfs/dbraw/zinc/42/73/48/407427348.db2.gz MGHBACVZLOHPFP-UHFFFAOYSA-N 1 0 321.424 1.667 20 5 DDBDRO CS[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])s2)C[C@H]1[NH+](C)C ZINC000271019436 407472154 /nfs/dbraw/zinc/47/21/54/407472154.db2.gz HTLVLBULCOQFDK-SCZZXKLOSA-N 1 0 315.420 1.774 20 5 DDBDRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000185706681 407482694 /nfs/dbraw/zinc/48/26/94/407482694.db2.gz VSZXEHAUDPPJOV-GFCCVEGCSA-N 1 0 308.338 1.108 20 5 DDBDRO Cn1cc(C[NH+]2CCC(O)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000271048233 407486801 /nfs/dbraw/zinc/48/68/01/407486801.db2.gz SVTJCWWZPXOFBQ-UHFFFAOYSA-N 1 0 316.361 1.952 20 5 DDBDRO C[N@@H+]1CCN(CCn2ccc([N+](=O)[O-])n2)C2(CCCCC2)C1 ZINC000178402458 407445517 /nfs/dbraw/zinc/44/55/17/407445517.db2.gz JCEBCWSTPCVKLU-UHFFFAOYSA-N 1 0 307.398 1.742 20 5 DDBDRO COC(=O)[C@@H]1CC[N@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000266550775 407554451 /nfs/dbraw/zinc/55/44/51/407554451.db2.gz UFWJVXWCDUOWMF-LLVKDONJSA-N 1 0 324.333 1.477 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+]C(C)(C)CC(N)=O ZINC000186230412 407612556 /nfs/dbraw/zinc/61/25/56/407612556.db2.gz RASOUUROKJRNIW-UHFFFAOYSA-N 1 0 308.338 1.085 20 5 DDBDRO C[NH+]1CCC(NC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)CC1 ZINC000271285677 407614284 /nfs/dbraw/zinc/61/42/84/407614284.db2.gz DFVKIIGDRBRJOF-UHFFFAOYSA-N 1 0 321.362 1.424 20 5 DDBDRO COc1cc(OCC(=O)NCC2=CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000186355366 407644219 /nfs/dbraw/zinc/64/42/19/407644219.db2.gz FTWWTUJZVRZHPC-UHFFFAOYSA-N 1 0 321.333 1.018 20 5 DDBDRO CCCN(C(=O)COc1ccccc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000178902497 407646832 /nfs/dbraw/zinc/64/68/32/407646832.db2.gz KLSXYNBXODQZHM-LBPRGKRZSA-N 1 0 307.350 1.574 20 5 DDBDRO C[C@]1(C[NH3+])CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000261737263 407596124 /nfs/dbraw/zinc/59/61/24/407596124.db2.gz KGBZRJCVUXHPOL-MRXNPFEDSA-N 1 0 318.377 1.155 20 5 DDBDRO CCOc1ccc(C(=O)N2CC[C@H](C[NH2+]C)C2)cc1[N+](=O)[O-] ZINC000178990114 407682089 /nfs/dbraw/zinc/68/20/89/407682089.db2.gz BRHUHRAJTDGDLZ-LLVKDONJSA-N 1 0 307.350 1.675 20 5 DDBDRO COCC1(CNC(=O)c2cccc(C)c2[N+](=O)[O-])CC[NH2+]CC1 ZINC000261973987 407698974 /nfs/dbraw/zinc/69/89/74/407698974.db2.gz ZJRLZUVBFRZSTG-UHFFFAOYSA-N 1 0 321.377 1.649 20 5 DDBDRO COc1cc(C(=O)NCC2([NH3+])CCC2)c([N+](=O)[O-])cc1OC ZINC000261986025 407702865 /nfs/dbraw/zinc/70/28/65/407702865.db2.gz AYOSFTHHHSGOPL-UHFFFAOYSA-N 1 0 309.322 1.223 20 5 DDBDRO C[C@@H](O)C[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000267000401 407710830 /nfs/dbraw/zinc/71/08/30/407710830.db2.gz CTIGMPOTJVZJGK-NWDGAFQWSA-N 1 0 311.357 1.621 20 5 DDBDRO [NH3+]C[C@H]1CCC[C@H]1NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000130951322 407713515 /nfs/dbraw/zinc/71/35/15/407713515.db2.gz HQIAUMUAXIDYDT-DGCLKSJQSA-N 1 0 313.379 1.142 20 5 DDBDRO CCOC(=O)CC1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000266888571 407661776 /nfs/dbraw/zinc/66/17/76/407661776.db2.gz CRVJJBDVZPBLAA-UHFFFAOYSA-N 1 0 310.354 1.457 20 5 DDBDRO CC(C)C[C@@H](C[NH3+])NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000236629118 407734766 /nfs/dbraw/zinc/73/47/66/407734766.db2.gz BSBDMHSDKJQOMN-LBPRGKRZSA-N 1 0 308.382 1.521 20 5 DDBDRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000186692530 407744585 /nfs/dbraw/zinc/74/45/85/407744585.db2.gz CNGILVBRZRAGIB-RNCFNFMXSA-N 1 0 311.769 1.905 20 5 DDBDRO COc1cc(C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000186685231 407745496 /nfs/dbraw/zinc/74/54/96/407745496.db2.gz XLXBXGKBJMLJBU-ONGXEEELSA-N 1 0 323.349 1.340 20 5 DDBDRO CCOc1ccc(C(=O)NC[C@H]2CCCC[NH2+]2)cc1[N+](=O)[O-] ZINC000236906370 407781902 /nfs/dbraw/zinc/78/19/02/407781902.db2.gz DJBBMPKPMRBYDU-GFCCVEGCSA-N 1 0 307.350 1.865 20 5 DDBDRO CCOc1cc(C(=O)N[C@H](C[NH3+])C2CC2)c([N+](=O)[O-])cc1OC ZINC000236895997 407783565 /nfs/dbraw/zinc/78/35/65/407783565.db2.gz ADIYZEQQWMRCNW-LLVKDONJSA-N 1 0 323.349 1.469 20 5 DDBDRO CN(CC(=O)N1CCCC[C@H]1C[NH3+])c1ccccc1[N+](=O)[O-] ZINC000237323702 407811732 /nfs/dbraw/zinc/81/17/32/407811732.db2.gz BKAOOMUJKOJREZ-LBPRGKRZSA-N 1 0 306.366 1.371 20 5 DDBDRO C[C@H](C[NH3+])N(C)C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237647253 407831953 /nfs/dbraw/zinc/83/19/53/407831953.db2.gz UYINLZDDBAFVIK-SNVBAGLBSA-N 1 0 303.322 1.200 20 5 DDBDRO COc1cc(C(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000262533518 407859588 /nfs/dbraw/zinc/85/95/88/407859588.db2.gz PZLCNJSQVOOCSM-ZYHUDNBSSA-N 1 0 307.350 1.660 20 5 DDBDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000272319176 407864829 /nfs/dbraw/zinc/86/48/29/407864829.db2.gz SZAJRQRVSBVLCF-UWVGGRQHSA-N 1 0 311.313 1.308 20 5 DDBDRO C[C@@H](CC[NH+](C)C)NC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000272357278 407882780 /nfs/dbraw/zinc/88/27/80/407882780.db2.gz PIZVMLNTYJVKBB-QMMMGPOBSA-N 1 0 323.378 1.670 20 5 DDBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000118096607 407886017 /nfs/dbraw/zinc/88/60/17/407886017.db2.gz FNUWSNJSUOELMG-ZDUSSCGKSA-N 1 0 320.349 1.134 20 5 DDBDRO Cc1c(NC(=O)C(=O)NC[C@@H]2CCC[N@H+]2C)cccc1[N+](=O)[O-] ZINC000118106458 407889488 /nfs/dbraw/zinc/88/94/88/407889488.db2.gz TUJBYEUFCHRZBQ-NSHDSACASA-N 1 0 320.349 1.052 20 5 DDBDRO COc1cc(C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000262700099 407902979 /nfs/dbraw/zinc/90/29/79/407902979.db2.gz AONNUUCDFOBRPB-GXSJLCMTSA-N 1 0 323.349 1.340 20 5 DDBDRO CC[N@H+](CCO)CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000118835259 407950371 /nfs/dbraw/zinc/95/03/71/407950371.db2.gz MMMDTXZAIMEFGG-UHFFFAOYSA-N 1 0 311.338 1.246 20 5 DDBDRO CC[N@H+](CCNC(=O)NCCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000119009921 407977278 /nfs/dbraw/zinc/97/72/78/407977278.db2.gz LIGQFHMLRCBSCX-UHFFFAOYSA-N 1 0 320.393 1.921 20 5 DDBDRO CCOc1cc(N2CC[NH+](C[C@H](O)CC)CC2)ccc1[N+](=O)[O-] ZINC000174916024 408004224 /nfs/dbraw/zinc/00/42/24/408004224.db2.gz NEZOUEJQNGRPSI-CQSZACIVSA-N 1 0 323.393 1.886 20 5 DDBDRO CCC[NH2+]CCNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000154278555 408008562 /nfs/dbraw/zinc/00/85/62/408008562.db2.gz CWBZKMCUKQIKED-UHFFFAOYSA-N 1 0 306.366 1.899 20 5 DDBDRO CC[C@]1(CO)CCC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000189636313 408070194 /nfs/dbraw/zinc/07/01/94/408070194.db2.gz HVNWALKQKDPUCI-MRXNPFEDSA-N 1 0 321.377 1.795 20 5 DDBDRO NC(=O)C[C@@H]1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000175250772 408087933 /nfs/dbraw/zinc/08/79/33/408087933.db2.gz UGQAPVYUGKRRDD-LBPRGKRZSA-N 1 0 307.350 1.561 20 5 DDBDRO CC(C)(O)[C@H]1CCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000136253875 408092783 /nfs/dbraw/zinc/09/27/83/408092783.db2.gz NLYGOXXKLVNOLB-DZGCQCFKSA-N 1 0 324.377 1.570 20 5 DDBDRO C[C@H]1CC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)[C@@H]1CO ZINC000190440549 408245714 /nfs/dbraw/zinc/24/57/14/408245714.db2.gz MYQNXVSWHMYHLY-GXFFZTMASA-N 1 0 318.333 1.848 20 5 DDBDRO C[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C[C@@H]1CCC[C@H]1O ZINC000246425160 408251040 /nfs/dbraw/zinc/25/10/40/408251040.db2.gz IIQRPQSOFIXUDC-DUVNUKRYSA-N 1 0 324.377 1.427 20 5 DDBDRO NC(=O)C[C@@H]1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269631597 408369019 /nfs/dbraw/zinc/36/90/19/408369019.db2.gz FWXWSESOKRYCRB-FZMZJTMJSA-N 1 0 307.350 1.216 20 5 DDBDRO O=C(C[C@H]1CC[NH2+]C1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000174017724 162387087 /nfs/dbraw/zinc/38/70/87/162387087.db2.gz OQHPAYOIQZESIS-CYBMUJFWSA-N 1 0 318.377 1.243 20 5 DDBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])cnc2C)C1 ZINC000174159008 162396986 /nfs/dbraw/zinc/39/69/86/162396986.db2.gz QVUVTTOSMYVIQQ-GFCCVEGCSA-N 1 0 306.366 1.855 20 5 DDBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000247340709 408455202 /nfs/dbraw/zinc/45/52/02/408455202.db2.gz JFAWDLMMMDJZQS-IUODEOHRSA-N 1 0 305.378 1.936 20 5 DDBDRO Cc1cccc(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000160076090 408455645 /nfs/dbraw/zinc/45/56/45/408455645.db2.gz KABXYEWZQGAWLH-CYBMUJFWSA-N 1 0 321.377 1.480 20 5 DDBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)CCN1CCOCC1 ZINC000264292792 408430033 /nfs/dbraw/zinc/43/00/33/408430033.db2.gz QDWPZGYUCZWKHB-UHFFFAOYSA-N 1 0 309.366 1.238 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@]3(CC=CCC3)C2)c1 ZINC000247707399 408503907 /nfs/dbraw/zinc/50/39/07/408503907.db2.gz ZHBOBZRHYAULQB-JKSUJKDBSA-N 1 0 320.393 1.975 20 5 DDBDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000176864432 408461843 /nfs/dbraw/zinc/46/18/43/408461843.db2.gz YWHVZKCOPASHET-HNNXBMFYSA-N 1 0 323.393 1.610 20 5 DDBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000176891821 408466784 /nfs/dbraw/zinc/46/67/84/408466784.db2.gz HUEAJZKNELKRIA-CYBMUJFWSA-N 1 0 323.393 1.990 20 5 DDBDRO C[C@H](O)[C@H]1CC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000248584176 408592788 /nfs/dbraw/zinc/59/27/88/408592788.db2.gz QQHCYTHPSTUFMN-SGMGOOAPSA-N 1 0 310.350 1.037 20 5 DDBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cccc([N+](=O)[O-])c3N)CC[C@H]21 ZINC000248130201 408537643 /nfs/dbraw/zinc/53/76/43/408537643.db2.gz OJFLDAZPXYRQNP-DGCLKSJQSA-N 1 0 318.377 1.733 20 5 DDBDRO Cc1c(CC(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cccc1[N+](=O)[O-] ZINC000248666321 408613956 /nfs/dbraw/zinc/61/39/56/408613956.db2.gz WOASLLYZPFIJNQ-IHRRRGAJSA-N 1 0 303.362 1.641 20 5 DDBDRO COC(=O)[C@]1(C)CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000177426345 408614067 /nfs/dbraw/zinc/61/40/67/408614067.db2.gz FVKIOIVZSOOQPS-OAHLLOKOSA-N 1 0 321.333 1.079 20 5 DDBDRO Cc1ccnc(N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)c1[N+](=O)[O-] ZINC000275628867 408625620 /nfs/dbraw/zinc/62/56/20/408625620.db2.gz VQNLXHXGHZKLOH-GFCCVEGCSA-N 1 0 308.382 1.580 20 5 DDBDRO C[C@H]1CCC[N@@H+]1C1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000161817725 408642993 /nfs/dbraw/zinc/64/29/93/408642993.db2.gz BAAQAKIDVUIQEN-JTQLQIEISA-N 1 0 307.354 1.407 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@H]1CCC[NH2+]C1 ZINC000193352305 408712911 /nfs/dbraw/zinc/71/29/11/408712911.db2.gz DBPWTHJLBINBMB-NSHDSACASA-N 1 0 313.379 1.242 20 5 DDBDRO C[N@@H+]1CC[C@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000265612251 408713867 /nfs/dbraw/zinc/71/38/67/408713867.db2.gz XFWGKTAISRHZCV-SNVBAGLBSA-N 1 0 311.769 1.859 20 5 DDBDRO CCCC[C@H](C[NH3+])NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000162855380 408740161 /nfs/dbraw/zinc/74/01/61/408740161.db2.gz QEEWWYYNVSPYKK-GFCCVEGCSA-N 1 0 309.366 1.997 20 5 DDBDRO C[C@H](CNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000251690512 408784022 /nfs/dbraw/zinc/78/40/22/408784022.db2.gz OYBWMSRIWBFEHZ-GHMZBOCLSA-N 1 0 322.365 1.546 20 5 DDBDRO C[C@@H]1CN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC[C@H]1[NH3+] ZINC000251902607 408788363 /nfs/dbraw/zinc/78/83/63/408788363.db2.gz WNHDRGJZKHPCCH-ZWNOBZJWSA-N 1 0 313.379 1.094 20 5 DDBDRO CCc1n[nH]c(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000178001177 408754810 /nfs/dbraw/zinc/75/48/10/408754810.db2.gz BQXDVDZVXPOLJA-JQWIXIFHSA-N 1 0 321.381 1.437 20 5 DDBDRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)C[C@@H]12 ZINC000185175321 408775249 /nfs/dbraw/zinc/77/52/49/408775249.db2.gz FATGAQQORKBKSC-HXHSWLSCSA-N 1 0 301.346 1.804 20 5 DDBDRO [NH3+][C@H]1CC[C@H]2CN(C(=O)CCNc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000185199012 408778624 /nfs/dbraw/zinc/77/86/24/408778624.db2.gz JYABGXHQPBDKPN-XQQFMLRXSA-N 1 0 318.377 1.593 20 5 DDBDRO CCC[C@@]1([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCOC1 ZINC000285619165 408829967 /nfs/dbraw/zinc/82/99/67/408829967.db2.gz QOCNJDZNACWQPE-GDBMZVCRSA-N 1 0 324.377 1.883 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@]2(CO)CCCc3ccccc32)c1 ZINC000281731987 408919585 /nfs/dbraw/zinc/91/95/85/408919585.db2.gz PVOODNGOKMTOIR-MRXNPFEDSA-N 1 0 316.361 1.605 20 5 DDBDRO CCN(C)c1ccc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)cn1 ZINC000191364833 163182193 /nfs/dbraw/zinc/18/21/93/163182193.db2.gz CUVJMGDAYYDIMI-UHFFFAOYSA-N 1 0 304.354 1.432 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1N1CC([N@H+](C)Cc2ccccc2)C1 ZINC000286186477 408939924 /nfs/dbraw/zinc/93/99/24/408939924.db2.gz AVMSPCCTDVCUQK-UHFFFAOYSA-N 1 0 301.350 1.649 20 5 DDBDRO CO[C@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000281842914 408939973 /nfs/dbraw/zinc/93/99/73/408939973.db2.gz YPJZGIBJCQSNMP-GWCFXTLKSA-N 1 0 307.350 1.693 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H](CC[NH3+])C2)c1 ZINC000281931201 408955941 /nfs/dbraw/zinc/95/59/41/408955941.db2.gz KJBZJWQRQUMPES-LLVKDONJSA-N 1 0 307.350 1.804 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CCC3(CC2)OCCCO3)c1 ZINC000293223235 409070508 /nfs/dbraw/zinc/07/05/08/409070508.db2.gz YXYZGMXPANHBNT-OAHLLOKOSA-N 1 0 322.361 1.857 20 5 DDBDRO C[C@H](CCCC[NH3+])NC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000293558867 409138058 /nfs/dbraw/zinc/13/80/58/409138058.db2.gz XFOCJYMQDIYFLX-LLVKDONJSA-N 1 0 308.382 1.908 20 5 DDBDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000261896651 163724028 /nfs/dbraw/zinc/72/40/28/163724028.db2.gz GEPHCVVAZINDIR-NXEZZACHSA-N 1 0 311.769 1.986 20 5 DDBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000290134243 409308199 /nfs/dbraw/zinc/30/81/99/409308199.db2.gz MAUUQYMVTLSDBT-ZIAGYGMSSA-N 1 0 303.362 1.595 20 5 DDBDRO CCO[C@@H]1C[C@H]([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)C12CCC2 ZINC000296049632 409410436 /nfs/dbraw/zinc/41/04/36/409410436.db2.gz FQGQKQUSZCBTHJ-UONOGXRCSA-N 1 0 321.377 1.694 20 5 DDBDRO CC(C)[NH+](CCNc1nccc(C(N)=O)c1[N+](=O)[O-])C(C)C ZINC000290568625 409447448 /nfs/dbraw/zinc/44/74/48/409447448.db2.gz TVSLMSRSDRWOGQ-UHFFFAOYSA-N 1 0 309.370 1.619 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)CCCC[NH3+] ZINC000314468957 164014773 /nfs/dbraw/zinc/01/47/73/164014773.db2.gz CXMXKNAARDWVOH-LLVKDONJSA-N 1 0 315.395 1.699 20 5 DDBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cccc([N+](=O)[O-])c1NC ZINC000317055392 164025550 /nfs/dbraw/zinc/02/55/50/164025550.db2.gz HPAACSPRULOOBT-NSHDSACASA-N 1 0 306.366 1.851 20 5 DDBDRO CC(C)[C@H]([NH3+])CCN(C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000317235087 164026711 /nfs/dbraw/zinc/02/67/11/164026711.db2.gz LPHZAZLYIZTORW-GFCCVEGCSA-N 1 0 308.382 1.839 20 5 DDBDRO C[N@@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])n[nH]2)[C@@H]1c1ccccc1 ZINC000285492495 409465477 /nfs/dbraw/zinc/46/54/77/409465477.db2.gz AMVVQRPHEXNCQG-FZMZJTMJSA-N 1 0 315.333 1.493 20 5 DDBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360571445 164150019 /nfs/dbraw/zinc/15/00/19/164150019.db2.gz UULXMJRDEWEVHJ-BLLLJJGKSA-N 1 0 318.377 1.607 20 5 DDBDRO COC(=O)c1occc1CN(CC[NH3+])c1ccccc1[N+](=O)[O-] ZINC000348918073 409589121 /nfs/dbraw/zinc/58/91/21/409589121.db2.gz BGEAGTOYTMFBBF-UHFFFAOYSA-N 1 0 319.317 1.940 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H](c2cccs2)C2CC2)c1 ZINC000342469164 409655198 /nfs/dbraw/zinc/65/51/98/409655198.db2.gz DMQLCJKELLMAPP-JSGCOSHPSA-N 1 0 322.390 1.955 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@H]([NH3+])C1 ZINC000346066249 409753955 /nfs/dbraw/zinc/75/39/55/409753955.db2.gz LFFYBQHXJXNXHQ-LBPRGKRZSA-N 1 0 306.366 1.655 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000342759492 409881662 /nfs/dbraw/zinc/88/16/62/409881662.db2.gz PFSGWCUXMMLTSG-HNNXBMFYSA-N 1 0 307.350 1.723 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NCCC[NH2+]Cc1cccnc1 ZINC000319655199 409897571 /nfs/dbraw/zinc/89/75/71/409897571.db2.gz RXGONMPWOISZDY-UHFFFAOYSA-N 1 0 317.349 1.238 20 5 DDBDRO C[NH+](C)C1(CNc2ncc([N+](=O)[O-])c(N)n2)CCCCCC1 ZINC000338344799 409926104 /nfs/dbraw/zinc/92/61/04/409926104.db2.gz XUTXVTTTZRUKLX-UHFFFAOYSA-N 1 0 308.386 2.034 20 5 DDBDRO CCN1CC[NH+](C[C@H](C)CNc2c([N+](=O)[O-])ncn2C)CC1 ZINC000342822151 409927014 /nfs/dbraw/zinc/92/70/14/409927014.db2.gz QQGLRTDUZREDNW-GFCCVEGCSA-N 1 0 310.402 1.014 20 5 DDBDRO C[C@H](CN1CCOCC1)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000338350927 409929946 /nfs/dbraw/zinc/92/99/46/409929946.db2.gz QOEIPPCGBKQGSS-CQSZACIVSA-N 1 0 307.394 1.790 20 5 DDBDRO COc1ccc(C[NH2+][C@H]2CCC(=O)NC2(C)C)cc1[N+](=O)[O-] ZINC000338476111 410015323 /nfs/dbraw/zinc/01/53/23/410015323.db2.gz GDMFUKWQWRDUJB-ZDUSSCGKSA-N 1 0 307.350 1.750 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCOC[C@H]1C ZINC000297929879 410050721 /nfs/dbraw/zinc/05/07/21/410050721.db2.gz RCTCQSDATWFAFU-LLVKDONJSA-N 1 0 323.349 1.653 20 5 DDBDRO C[C@H]1C[C@H](Nc2nccc(C(N)=O)c2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000357513641 410079423 /nfs/dbraw/zinc/07/94/23/410079423.db2.gz NPRREUVXTCNYLQ-IUCAKERBSA-N 1 0 305.338 1.126 20 5 DDBDRO CCOCC(C)(C)[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000339361538 410125443 /nfs/dbraw/zinc/12/54/43/410125443.db2.gz JFOVHXFOOYCMOZ-UHFFFAOYSA-N 1 0 321.377 1.889 20 5 DDBDRO CCN(CCC[NH+]1CCCC1)C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000351760380 410215719 /nfs/dbraw/zinc/21/57/19/410215719.db2.gz SEUCPSMMPXHWIY-UHFFFAOYSA-N 1 0 323.397 1.516 20 5 DDBDRO COC(=O)c1cnc(N[C@@H]2CCC[N@H+](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000357682297 410186691 /nfs/dbraw/zinc/18/66/91/410186691.db2.gz KERITXAMEGWMQK-MWLCHTKSSA-N 1 0 308.338 1.671 20 5 DDBDRO COC(=O)c1cnc(N[C@H]2CC[N@H+](C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000357701776 410195544 /nfs/dbraw/zinc/19/55/44/410195544.db2.gz XSIILHYNWIWGGS-KOLCDFICSA-N 1 0 308.338 1.671 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@@H](C)[C@@H](O)C1 ZINC000351787263 410236821 /nfs/dbraw/zinc/23/68/21/410236821.db2.gz YTGXOEZMEGSNIZ-RISCZKNCSA-N 1 0 307.350 1.544 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H](C)[C@H](O)C1 ZINC000351776429 410223817 /nfs/dbraw/zinc/22/38/17/410223817.db2.gz BAXXJDIMACJHPG-ZWNOBZJWSA-N 1 0 323.349 1.245 20 5 DDBDRO CC[N@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)[C@H](C)CO ZINC000339629575 410343483 /nfs/dbraw/zinc/34/34/83/410343483.db2.gz LWOBCUCYKHOXDK-LLVKDONJSA-N 1 0 323.349 1.596 20 5 DDBDRO NC(=O)c1cc([N+](=O)[O-])cnc1N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000298730974 410369092 /nfs/dbraw/zinc/36/90/92/410369092.db2.gz SEKVNJQCBGUXCF-VXGBXAGGSA-N 1 0 305.338 1.127 20 5 DDBDRO CC(C)c1ccc(CNC[C@@]2(O)CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000358171263 410393476 /nfs/dbraw/zinc/39/34/76/410393476.db2.gz SALFKUPAKSHJIU-INIZCTEOSA-N 1 0 307.394 1.874 20 5 DDBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@H]1COCCO1)C1CC1 ZINC000358213350 410404570 /nfs/dbraw/zinc/40/45/70/410404570.db2.gz BQLIWKZNAUQYET-LSDHHAIUSA-N 1 0 306.362 1.921 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCOC[C@H]2CC2CCC2)c1 ZINC000339781494 410455936 /nfs/dbraw/zinc/45/59/36/410455936.db2.gz YDYPPRRCIMALAK-UKRRQHHQSA-N 1 0 324.381 1.043 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@@H](CO)c1ccsc1 ZINC000352031498 410430953 /nfs/dbraw/zinc/43/09/53/410430953.db2.gz FJTDSNQTQRGLLB-LBPRGKRZSA-N 1 0 309.347 1.141 20 5 DDBDRO C[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CCCOC1 ZINC000352186867 410534742 /nfs/dbraw/zinc/53/47/42/410534742.db2.gz OJQDLPLIFVPMMG-ZIAGYGMSSA-N 1 0 310.350 1.445 20 5 DDBDRO C[C@@H]1COCCN1CC[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000352570320 410665207 /nfs/dbraw/zinc/66/52/07/410665207.db2.gz FXWNAMSRGQLEBP-CQSZACIVSA-N 1 0 307.394 1.790 20 5 DDBDRO C[NH+](C)CCN(Cc1ccccn1)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000337255664 410674407 /nfs/dbraw/zinc/67/44/07/410674407.db2.gz RJPYBMGNJLFAMY-UHFFFAOYSA-N 1 0 317.349 1.522 20 5 DDBDRO CC[NH+](CC)CCNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000301083713 410652470 /nfs/dbraw/zinc/65/24/70/410652470.db2.gz VBRXJIZAEFKEQA-UHFFFAOYSA-N 1 0 305.338 1.997 20 5 DDBDRO Cc1cc([N+](=O)[O-])cnc1N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000301277302 410688710 /nfs/dbraw/zinc/68/87/10/410688710.db2.gz ZUJQDYYUPFELEG-ZDUSSCGKSA-N 1 0 322.409 1.827 20 5 DDBDRO CCC[N@H+](C)CC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000359628578 410779586 /nfs/dbraw/zinc/77/95/86/410779586.db2.gz ZWEIFGDOUWLELL-UHFFFAOYSA-N 1 0 307.350 1.658 20 5 DDBDRO Cc1cc(N2CCC[C@H]2C[N@@H+]2CCC[C@@H]2CO)ncc1[N+](=O)[O-] ZINC000301591954 410750358 /nfs/dbraw/zinc/75/03/58/410750358.db2.gz YMBUURHMBHKJCR-UONOGXRCSA-N 1 0 320.393 1.724 20 5 DDBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000330612440 410827043 /nfs/dbraw/zinc/82/70/43/410827043.db2.gz QVYINUJPTYCPJK-NWDGAFQWSA-N 1 0 306.366 1.558 20 5 DDBDRO C[C@H]1CN(c2ccc3ncccc3c2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000302389626 410844537 /nfs/dbraw/zinc/84/45/37/410844537.db2.gz IAQXHKNQJDIXJH-LBPRGKRZSA-N 1 0 316.361 1.646 20 5 DDBDRO CN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1CC[N@@H+](C2CC2)C1 ZINC000348223779 410863868 /nfs/dbraw/zinc/86/38/68/410863868.db2.gz XWZSPPVRKZHZMH-AWEZNQCLSA-N 1 0 318.377 1.362 20 5 DDBDRO Cn1c(C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000341175803 410915634 /nfs/dbraw/zinc/91/56/34/410915634.db2.gz UHSWCSOFIDJMDN-GFCCVEGCSA-N 1 0 306.366 1.634 20 5 DDBDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])nn1C ZINC000356442882 411033322 /nfs/dbraw/zinc/03/33/22/411033322.db2.gz DLHZDIHSQJDHJD-LBPRGKRZSA-N 1 0 323.397 1.713 20 5 DDBDRO O=[N+]([O-])c1cccnc1NC[C@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC000360230048 411107804 /nfs/dbraw/zinc/10/78/04/411107804.db2.gz LWPNGCKTUZAONB-CHWSQXEVSA-N 1 0 306.366 1.903 20 5 DDBDRO CCc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000580830765 422955780 /nfs/dbraw/zinc/95/57/80/422955780.db2.gz OLYIIJIAAXPEOJ-UHFFFAOYSA-N 1 0 315.395 1.387 20 5 DDBDRO C[C@H](C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)C1C[NH2+]C1 ZINC000357127319 298972053 /nfs/dbraw/zinc/97/20/53/298972053.db2.gz LYBYBAPMPOAHLI-LBPRGKRZSA-N 1 0 305.378 1.889 20 5 DDBDRO C[C@@H]1CSC[C@@H]1[NH2+][C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000295257338 224623981 /nfs/dbraw/zinc/62/39/81/224623981.db2.gz UUXOJXBDXKAKCY-WBMYTEFPSA-N 1 0 312.391 1.330 20 5 DDBDRO Cc1ccc(NC(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000415860017 224753250 /nfs/dbraw/zinc/75/32/50/224753250.db2.gz BLDIHFIYRUFPKL-GFCCVEGCSA-N 1 0 320.349 1.100 20 5 DDBDRO COc1ccc(OCCN2C[C@@H](C)[NH2+]C[C@H]2C)c([N+](=O)[O-])c1 ZINC000420408991 226486287 /nfs/dbraw/zinc/48/62/87/226486287.db2.gz WPNASBKAICUVFO-VXGBXAGGSA-N 1 0 309.366 1.664 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1N1CC[C@@H](N3CC[NH2+]CC3)C1)CCN2 ZINC000571779789 304486857 /nfs/dbraw/zinc/48/68/57/304486857.db2.gz STBIEFVCILFWNX-GFCCVEGCSA-N 1 0 317.393 1.047 20 5 DDBDRO O=C(NCC1CC[NH2+]CC1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000297329012 227016906 /nfs/dbraw/zinc/01/69/06/227016906.db2.gz XOEFQYGEXSMBKU-UHFFFAOYSA-N 1 0 314.345 1.872 20 5 DDBDRO [NH3+]C[C@@H]1Cc2ccccc2N1C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000422629073 227079896 /nfs/dbraw/zinc/07/98/96/227079896.db2.gz WIXUJCJISPVMNW-LBPRGKRZSA-N 1 0 315.333 1.098 20 5 DDBDRO C[C@@H](CO)[N@@H+]1CCCN(Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000373742219 418455226 /nfs/dbraw/zinc/45/52/26/418455226.db2.gz OPLAMDZBEDBQRD-LBPRGKRZSA-N 1 0 311.357 1.622 20 5 DDBDRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)C1 ZINC000360536604 418458270 /nfs/dbraw/zinc/45/82/70/418458270.db2.gz LDIRKRFIELDXBU-LBPRGKRZSA-N 1 0 322.365 1.040 20 5 DDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000289341165 418574720 /nfs/dbraw/zinc/57/47/20/418574720.db2.gz WXBQWSKAVZNGQU-INIZCTEOSA-N 1 0 303.362 1.739 20 5 DDBDRO C[NH+](C)CCCOC1CCN(c2ccncc2[N+](=O)[O-])CC1 ZINC000361000955 418563298 /nfs/dbraw/zinc/56/32/98/418563298.db2.gz CRUQXKZGHKDPDM-UHFFFAOYSA-N 1 0 308.382 1.927 20 5 DDBDRO CCCC[N@H+](C)C[C@@H](C)Nc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000291184661 222204385 /nfs/dbraw/zinc/20/43/85/222204385.db2.gz SEPJGWMHDGYBAX-SNVBAGLBSA-N 1 0 309.370 1.621 20 5 DDBDRO CC[N@H+](C[C@@H](C)OC)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000291312703 222306440 /nfs/dbraw/zinc/30/64/40/222306440.db2.gz TWUHCQHEWCQJPF-OLZOCXBDSA-N 1 0 312.366 1.691 20 5 DDBDRO C[NH+](C)CCn1ccc(NC(=O)c2ccccc2[N+](=O)[O-])n1 ZINC000354138031 418646619 /nfs/dbraw/zinc/64/66/19/418646619.db2.gz PEDMJRKLQCWNRH-UHFFFAOYSA-N 1 0 303.322 1.605 20 5 DDBDRO CCOC(=O)CC[C@H](O)C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000385427967 418736246 /nfs/dbraw/zinc/73/62/46/418736246.db2.gz MHNLRAAHFNUVNF-ZDUSSCGKSA-N 1 0 310.350 1.697 20 5 DDBDRO CCO[C@H]1COCC[C@H]1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000362009291 418738728 /nfs/dbraw/zinc/73/87/28/418738728.db2.gz APLVABVCAFOGNJ-DOMZBBRYSA-N 1 0 310.350 1.757 20 5 DDBDRO CCN1CC[C@H](Nc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C1 ZINC000389251102 418749261 /nfs/dbraw/zinc/74/92/61/418749261.db2.gz BMWJIOODOBVWJS-JTQLQIEISA-N 1 0 313.379 1.504 20 5 DDBDRO C[C@@H]([NH2+]Cc1ccc(C(N)=O)nc1)c1ccc([N+](=O)[O-])cc1 ZINC000361921474 418726072 /nfs/dbraw/zinc/72/60/72/418726072.db2.gz BHZCRMJAJCEALK-SNVBAGLBSA-N 1 0 300.318 1.940 20 5 DDBDRO COc1ccc(OCC[N@@H+]2C[C@@H](O)C3(CC3)C2)c([N+](=O)[O-])c1 ZINC000372300009 418853297 /nfs/dbraw/zinc/85/32/97/418853297.db2.gz FUKUICNZNQNVDF-CQSZACIVSA-N 1 0 308.334 1.439 20 5 DDBDRO O=C1NC[C@H]2C[N@H+](C/C=C/c3ccccc3[N+](=O)[O-])CC[C@@H]12 ZINC000365655250 418890448 /nfs/dbraw/zinc/89/04/48/418890448.db2.gz IHTQXHIZRLQKBK-SVDKCWMDSA-N 1 0 301.346 1.676 20 5 DDBDRO NC(=O)c1ccc(C[N@@H+]2CC[C@@H]([C@@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC000372155911 418840400 /nfs/dbraw/zinc/84/04/00/418840400.db2.gz HVBCRMVCOPUPMB-TZMCWYRMSA-N 1 0 319.361 1.552 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)n1 ZINC000424073532 228225093 /nfs/dbraw/zinc/22/50/93/228225093.db2.gz MPISHBXUJXWGFG-DCAQKATOSA-N 1 0 309.370 1.257 20 5 DDBDRO C[C@@H]1C[C@@H](C)N(C(=O)CNc2ccccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000424079100 228225558 /nfs/dbraw/zinc/22/55/58/228225558.db2.gz UBWHHYFVBNAEML-UPJWGTAASA-N 1 0 320.393 1.839 20 5 DDBDRO C[C@H](NC(=O)NCC[C@@H]1CC[NH2+]C1)c1ccccc1[N+](=O)[O-] ZINC000417987055 419449224 /nfs/dbraw/zinc/44/92/24/419449224.db2.gz QXGLRFZYBJBXKY-RYUDHWBXSA-N 1 0 306.366 1.955 20 5 DDBDRO C[C@H](NC(=O)N[C@H]1C[NH2+]CC[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000417983173 419450303 /nfs/dbraw/zinc/45/03/03/419450303.db2.gz NSMHOZNMTNYHQX-GVXVVHGQSA-N 1 0 306.366 1.953 20 5 DDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCc3nnnn3CC2)c(F)c1 ZINC000421392506 419594385 /nfs/dbraw/zinc/59/43/85/419594385.db2.gz CBOONJLSZXNVGL-JTQLQIEISA-N 1 0 306.301 1.215 20 5 DDBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@H]1CCC[NH2+]C1 ZINC000418375624 419754899 /nfs/dbraw/zinc/75/48/99/419754899.db2.gz DZTMLBMTBCQJNI-ZDUSSCGKSA-N 1 0 306.366 1.531 20 5 DDBDRO CC[C@H]1CN(CCNC(=O)c2ccc([N+](=O)[O-])c(C)c2)CCO1 ZINC000428056810 419804009 /nfs/dbraw/zinc/80/40/09/419804009.db2.gz HRYHRNVVDUPZNA-AWEZNQCLSA-N 1 0 321.377 1.744 20 5 DDBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC1C[NH2+]C1 ZINC000418491233 419832992 /nfs/dbraw/zinc/83/29/92/419832992.db2.gz RLBMOJPPSNNJTB-UHFFFAOYSA-N 1 0 306.366 1.734 20 5 DDBDRO [NH3+][C@H](CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)C1CC1 ZINC000418503210 419840617 /nfs/dbraw/zinc/84/06/17/419840617.db2.gz WWLLZIWYRXMEKC-CQSZACIVSA-N 1 0 304.350 1.400 20 5 DDBDRO COC(=O)COc1ccc(CNCC2([NH3+])CCC2)cc1[N+](=O)[O-] ZINC000414872369 419852942 /nfs/dbraw/zinc/85/29/42/419852942.db2.gz FVHQPLNZENBVLY-UHFFFAOYSA-N 1 0 323.349 1.118 20 5 DDBDRO Cc1cc(OCC(=O)NCC[N@@H+](C)C(C)C)ccc1[N+](=O)[O-] ZINC000431952682 229069988 /nfs/dbraw/zinc/06/99/88/229069988.db2.gz GUOLFTFAQZWNDD-UHFFFAOYSA-N 1 0 309.366 1.738 20 5 DDBDRO [NH3+]C[C@@H]1CC[C@H](NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000418767589 419973632 /nfs/dbraw/zinc/97/36/32/419973632.db2.gz ODEBOIRZUCNIIN-RISCZKNCSA-N 1 0 318.377 1.790 20 5 DDBDRO C[C@@H]1[C@H](C)[NH2+]CCN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000436060329 229446411 /nfs/dbraw/zinc/44/64/11/229446411.db2.gz QVRSDLLMGPPMAC-WDEREUQCSA-N 1 0 317.349 1.827 20 5 DDBDRO C[C@@H]1CCCN(C(=O)CCOc2ccccc2[N+](=O)[O-])[C@@H]1C[NH3+] ZINC000429140356 419976811 /nfs/dbraw/zinc/97/68/11/419976811.db2.gz GTCNIIKCQLVTHY-TZMCWYRMSA-N 1 0 321.377 1.950 20 5 DDBDRO C[C@H]1CC[NH2+][C@@H](C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000423185245 419985657 /nfs/dbraw/zinc/98/56/57/419985657.db2.gz NDWMHOWAEOTPAW-XHDPSFHLSA-N 1 0 303.362 1.868 20 5 DDBDRO COc1ccc(NC(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000415443198 420067901 /nfs/dbraw/zinc/06/79/01/420067901.db2.gz QTWLMTDAZIQLTQ-WDEREUQCSA-N 1 0 320.349 1.677 20 5 DDBDRO COc1ccc(NC(=O)N[C@@H]2C[NH2+]CC[C@H]2C)cc1[N+](=O)[O-] ZINC000415431073 420063452 /nfs/dbraw/zinc/06/34/52/420063452.db2.gz DJMKPGMSTZXPPG-MWLCHTKSSA-N 1 0 308.338 1.723 20 5 DDBDRO COC(=O)c1cc(C(=O)N(C)C2(C[NH3+])CCC2)cc([N+](=O)[O-])c1 ZINC000423697101 420130581 /nfs/dbraw/zinc/13/05/81/420130581.db2.gz JPHCLFOWFUWAGK-UHFFFAOYSA-N 1 0 321.333 1.335 20 5 DDBDRO COc1cccc(C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)c1[N+](=O)[O-] ZINC000423697942 420131031 /nfs/dbraw/zinc/13/10/31/420131031.db2.gz OBBLJJOQYRDXCY-ZYHUDNBSSA-N 1 0 305.334 1.427 20 5 DDBDRO COc1cccc(C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1[N+](=O)[O-] ZINC000423530161 420072973 /nfs/dbraw/zinc/07/29/73/420072973.db2.gz WNOLXHFYULTVGA-UHTWSYAYSA-N 1 0 319.361 1.803 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H]2CCC[C@H]([NH3+])C2)n1 ZINC000420290069 420184712 /nfs/dbraw/zinc/18/47/12/420184712.db2.gz UEVRDLFNZDQRPK-UWVGGRQHSA-N 1 0 308.338 1.706 20 5 DDBDRO C[C@H]1[NH2+]CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000420317530 420202194 /nfs/dbraw/zinc/20/21/94/420202194.db2.gz UXMQSWMIHQERND-VXGBXAGGSA-N 1 0 306.366 1.606 20 5 DDBDRO C[C@H]1CC[NH2+][C@@H](C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1 ZINC000423830169 420215232 /nfs/dbraw/zinc/21/52/32/420215232.db2.gz TWKWKVXVBANWRW-WCQYABFASA-N 1 0 321.381 1.343 20 5 DDBDRO C[C@@H]([NH3+])[C@H]1CCCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000430597214 420151343 /nfs/dbraw/zinc/15/13/43/420151343.db2.gz QCILIPQIUMDNQH-OLZOCXBDSA-N 1 0 320.393 1.617 20 5 DDBDRO C[NH2+][C@@H]1CCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000430612330 420157426 /nfs/dbraw/zinc/15/74/26/420157426.db2.gz RXBVLHWTDVOXIV-NWDGAFQWSA-N 1 0 306.366 1.524 20 5 DDBDRO C[C@@H]1CN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@H](C)[NH2+]1 ZINC000430951273 420221342 /nfs/dbraw/zinc/22/13/42/420221342.db2.gz LBALZXDGZPKCMS-PHIMTYICSA-N 1 0 317.349 1.827 20 5 DDBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000420360486 420234805 /nfs/dbraw/zinc/23/48/05/420234805.db2.gz HERXQIOYHBHBDK-BFVZDQMLSA-N 1 0 306.366 1.170 20 5 DDBDRO CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C(C)(C)C[NH+]1CCCC1 ZINC000416099756 420247155 /nfs/dbraw/zinc/24/71/55/420247155.db2.gz VGIRUHHDZJVUEG-UHFFFAOYSA-N 1 0 309.370 1.124 20 5 DDBDRO COc1cccc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000435871607 420290442 /nfs/dbraw/zinc/29/04/42/420290442.db2.gz UCKPNRVQGZRRHH-GFCCVEGCSA-N 1 0 319.361 1.912 20 5 DDBDRO [NH3+]C[C@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000423942763 420276492 /nfs/dbraw/zinc/27/64/92/420276492.db2.gz QGPHNGZFYSOQHK-AWEZNQCLSA-N 1 0 307.350 1.607 20 5 DDBDRO Cn1c(C(=O)N2CCCC[C@@H]2[C@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000423956129 420282447 /nfs/dbraw/zinc/28/24/47/420282447.db2.gz AHFVPCYWNMMQJY-NWDGAFQWSA-N 1 0 306.366 1.538 20 5 DDBDRO CCOc1ccc(C(=O)NCC2([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000416287575 420306960 /nfs/dbraw/zinc/30/69/60/420306960.db2.gz FEPPHXCQONUUSB-UHFFFAOYSA-N 1 0 307.350 1.818 20 5 DDBDRO C[C@H]1CCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000424025454 420308953 /nfs/dbraw/zinc/30/89/53/420308953.db2.gz WPNWKUWOASZTCI-STQMWFEESA-N 1 0 320.393 1.474 20 5 DDBDRO COCC(C)(C)[NH+]1CCN(c2ncc([N+](=O)[O-])cc2C)CC1 ZINC000425281018 420337895 /nfs/dbraw/zinc/33/78/95/420337895.db2.gz OQJNBSQGXFWHBN-UHFFFAOYSA-N 1 0 308.382 1.845 20 5 DDBDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000437588126 420412485 /nfs/dbraw/zinc/41/24/85/420412485.db2.gz HZYYVUBIDIQNLH-LERXQTSPSA-N 1 0 322.365 1.247 20 5 DDBDRO C[C@@H]1CC[NH2+]C[C@@H]1NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000193410552 287626136 /nfs/dbraw/zinc/62/61/36/287626136.db2.gz NUQIRBHVJBTTJA-SCZZXKLOSA-N 1 0 317.342 1.010 20 5 DDBDRO COCc1cc([N+](=O)[O-])ccc1N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000302368101 230224376 /nfs/dbraw/zinc/22/43/76/230224376.db2.gz DSIOHCGWYDUATR-LBPRGKRZSA-N 1 0 309.366 1.244 20 5 DDBDRO [NH3+]CC[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000440809037 420608990 /nfs/dbraw/zinc/60/89/90/420608990.db2.gz ZRMXUEOLZZTQPG-SECBINFHSA-N 1 0 319.408 1.406 20 5 DDBDRO C[C@@H]1C[N@H+](CCO)CCN1c1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000450952765 420567969 /nfs/dbraw/zinc/56/79/69/420567969.db2.gz IZHGPEZCRNHPNK-GFCCVEGCSA-N 1 0 316.361 1.646 20 5 DDBDRO C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC[C@@H]1[NH3+] ZINC000440442038 420576482 /nfs/dbraw/zinc/57/64/82/420576482.db2.gz KYHORKBJKWHMPX-SFYZADRCSA-N 1 0 305.381 1.014 20 5 DDBDRO CC(C)(C[NH+]1CCCC1)NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000457057141 420598812 /nfs/dbraw/zinc/59/88/12/420598812.db2.gz USPOGVYTXKYMTD-UHFFFAOYSA-N 1 0 309.370 1.172 20 5 DDBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C[C@H](C[NH3+])C[C@H]1C ZINC000442767507 420711173 /nfs/dbraw/zinc/71/11/73/420711173.db2.gz RASQXNCCOZMIMB-WOPDTQHZSA-N 1 0 306.366 1.591 20 5 DDBDRO COc1cc(C[NH2+]CCc2cnc(C)cn2)c([N+](=O)[O-])cc1O ZINC000453597336 420734675 /nfs/dbraw/zinc/73/46/75/420734675.db2.gz NFQNBXJDKMRLHQ-UHFFFAOYSA-N 1 0 318.333 1.740 20 5 DDBDRO COc1cc(C[NH2+]C2(CO)CCSCC2)ccc1[N+](=O)[O-] ZINC000459693925 420848119 /nfs/dbraw/zinc/84/81/19/420848119.db2.gz JKDXQOALMBPPGR-UHFFFAOYSA-N 1 0 312.391 1.951 20 5 DDBDRO Cn1c(C(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC000449200535 420968197 /nfs/dbraw/zinc/96/81/97/420968197.db2.gz HLGWXTPEKFYWDQ-NEPJUHHUSA-N 1 0 306.366 1.395 20 5 DDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCN1CCOC[C@H]1C ZINC000449222739 420971879 /nfs/dbraw/zinc/97/18/79/420971879.db2.gz IMDDYRMETCFJIA-UONOGXRCSA-N 1 0 307.394 1.836 20 5 DDBDRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000487948940 421060102 /nfs/dbraw/zinc/06/01/02/421060102.db2.gz MYWBOJQSNDAASZ-GXTWGEPZSA-N 1 0 305.378 1.793 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCCN1CCCO ZINC000449385832 421002346 /nfs/dbraw/zinc/00/23/46/421002346.db2.gz GVKNBPFMVLSPEX-GDBMZVCRSA-N 1 0 321.421 1.962 20 5 DDBDRO Nc1c(C(=O)N[C@@H](CC[NH3+])C(F)F)cc(F)cc1[N+](=O)[O-] ZINC000449615169 421038529 /nfs/dbraw/zinc/03/85/29/421038529.db2.gz YBCKXUHGGZRVSM-ZETCQYMHSA-N 1 0 306.244 1.028 20 5 DDBDRO CNc1nc(C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)ccc1[N+](=O)[O-] ZINC000456004535 421086449 /nfs/dbraw/zinc/08/64/49/421086449.db2.gz KFHPDFKRXZZABD-JTQLQIEISA-N 1 0 319.365 1.412 20 5 DDBDRO CNc1nc(C(=O)N(C)CCC[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000456034713 421091792 /nfs/dbraw/zinc/09/17/92/421091792.db2.gz MEJIKUCMTJQITQ-UHFFFAOYSA-N 1 0 321.381 1.589 20 5 DDBDRO C[C@@H]1[C@H](CO)CC[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000488724933 421107531 /nfs/dbraw/zinc/10/75/31/421107531.db2.gz AXHIHJCOCBBSEZ-MNOVXSKESA-N 1 0 308.334 1.664 20 5 DDBDRO Cc1nn(CCC(=O)N2CCC[C@H]3C[NH2+]C[C@H]32)c(C)c1[N+](=O)[O-] ZINC000449733251 421070903 /nfs/dbraw/zinc/07/09/03/421070903.db2.gz OIAXBQNJGFNYCR-QWHCGFSZSA-N 1 0 321.381 1.009 20 5 DDBDRO C[C@H](CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)C[NH+](C)C ZINC000490032311 421185353 /nfs/dbraw/zinc/18/53/53/421185353.db2.gz KQQDKWQGVTXUPE-LLVKDONJSA-N 1 0 315.395 1.212 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000522811422 421225910 /nfs/dbraw/zinc/22/59/10/421225910.db2.gz PSESOKQFMBMGOS-CYBMUJFWSA-N 1 0 323.397 1.336 20 5 DDBDRO Cc1cc(NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])c(C)c[nH+]1 ZINC000545382466 421257011 /nfs/dbraw/zinc/25/70/11/421257011.db2.gz ZFPBDEWKMRVMCT-UHFFFAOYSA-N 1 0 321.358 1.970 20 5 DDBDRO C[C@@H](CNS(=O)(=O)c1ccccc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000548369115 421429486 /nfs/dbraw/zinc/42/94/86/421429486.db2.gz PZNUKKPWFBQTEI-NSHDSACASA-N 1 0 313.379 1.357 20 5 DDBDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)c2ccnc(N)c2[N+](=O)[O-])C1 ZINC000548747912 421469237 /nfs/dbraw/zinc/46/92/37/421469237.db2.gz SSKNYCCSOXBNGV-UWVGGRQHSA-N 1 0 307.354 1.175 20 5 DDBDRO Cc1nn(CCC(=O)N2CCC(CC[NH3+])CC2)c(C)c1[N+](=O)[O-] ZINC000515308043 421491600 /nfs/dbraw/zinc/49/16/00/421491600.db2.gz RGHOYCJCYGFWBN-UHFFFAOYSA-N 1 0 323.397 1.386 20 5 DDBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)NCC[C@H]1CC[NH2+]C1 ZINC000516856135 421571395 /nfs/dbraw/zinc/57/13/95/421571395.db2.gz CMWSYGKIUIMZNO-GFCCVEGCSA-N 1 0 322.365 1.272 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000517932124 421633756 /nfs/dbraw/zinc/63/37/56/421633756.db2.gz DQMIERKKIWDWFH-UHFFFAOYSA-N 1 0 301.306 1.226 20 5 DDBDRO Cc1cc(CC[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])on1 ZINC000518172299 421642037 /nfs/dbraw/zinc/64/20/37/421642037.db2.gz RDSCQCQPSKAXNY-LBPRGKRZSA-N 1 0 321.333 1.463 20 5 DDBDRO CN(C(=O)C[NH2+][C@H]1C[C@@H](O)C1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000570525070 421651579 /nfs/dbraw/zinc/65/15/79/421651579.db2.gz GSFCHURPCLXOIW-QWHCGFSZSA-N 1 0 307.350 1.307 20 5 DDBDRO C[NH+]1CCC([C@H]2CCN(C(=O)c3c[nH]nc3[N+](=O)[O-])C2)CC1 ZINC000554876211 421664362 /nfs/dbraw/zinc/66/43/62/421664362.db2.gz DXQOHMQBZSWOKY-NSHDSACASA-N 1 0 307.354 1.122 20 5 DDBDRO C[C@@]1(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CCOC1 ZINC000517231274 421602496 /nfs/dbraw/zinc/60/24/96/421602496.db2.gz YPGQHZXBYUEOJC-HNNXBMFYSA-N 1 0 307.350 1.940 20 5 DDBDRO C[C@@H]1CN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])C[C@H](C)[N@H+]1C ZINC000555220788 421672470 /nfs/dbraw/zinc/67/24/70/421672470.db2.gz GSNUILUNCJHFRI-AOOOYVTPSA-N 1 0 317.349 1.772 20 5 DDBDRO CC(C)[C@H](C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)[C@H](C)[NH3+] ZINC000519823342 421732123 /nfs/dbraw/zinc/73/21/23/421732123.db2.gz OUJAVJYSWGUSSQ-FZMZJTMJSA-N 1 0 323.397 1.574 20 5 DDBDRO C[C@@H]1C[C@H](C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@@H](C)O1 ZINC000574750511 422170952 /nfs/dbraw/zinc/17/09/52/422170952.db2.gz VMMBVZJAJDSQRP-SYQHCUMBSA-N 1 0 324.377 1.738 20 5 DDBDRO C[C@@H](NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)c1ncc[nH]1 ZINC000575369155 422293806 /nfs/dbraw/zinc/29/38/06/422293806.db2.gz DHRXCJGWAFCPLI-SSDOTTSWSA-N 1 0 300.278 1.685 20 5 DDBDRO Cc1sc(C(=O)Nc2nn(C)c(C)c2C[NH3+])cc1[N+](=O)[O-] ZINC000595961270 422359903 /nfs/dbraw/zinc/35/99/03/422359903.db2.gz KDYKJDVMAWELIK-UHFFFAOYSA-N 1 0 309.351 1.718 20 5 DDBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNc2ccc(N)c([N+](=O)[O-])n2)C1 ZINC000596078372 422362769 /nfs/dbraw/zinc/36/27/69/422362769.db2.gz UHDBSVTUHNALFY-VXGBXAGGSA-N 1 0 307.398 2.352 20 5 DDBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000577851666 422442418 /nfs/dbraw/zinc/44/24/18/422442418.db2.gz HOZYMJCROVSTPF-DTWKUNHWSA-N 1 0 318.333 1.704 20 5 DDBDRO CC(C)[C@@H]1C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCS1 ZINC000076066449 263328812 /nfs/dbraw/zinc/32/88/12/263328812.db2.gz DKFYHXZEQKVNIN-STQMWFEESA-N 1 0 314.411 1.226 20 5 DDBDRO CC[N@H+](CCO)CCNC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000183951681 263383593 /nfs/dbraw/zinc/38/35/93/263383593.db2.gz URFAOCUKTSOITI-VOTSOKGWSA-N 1 0 307.350 1.038 20 5 DDBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC1(O)CCC1 ZINC000341619317 271141404 /nfs/dbraw/zinc/14/14/04/271141404.db2.gz TTZSINSFXOULFO-LLVKDONJSA-N 1 0 307.350 1.817 20 5 DDBDRO C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000341920270 271247142 /nfs/dbraw/zinc/24/71/42/271247142.db2.gz HYCOTNQHSADIBJ-CHWSQXEVSA-N 1 0 321.377 1.740 20 5 DDBDRO [NH3+]C1(CNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CCC1 ZINC000342591072 271458384 /nfs/dbraw/zinc/45/83/84/271458384.db2.gz ONBWAXVQJYCPBN-UHFFFAOYSA-N 1 0 318.377 1.806 20 5 DDBDRO Cn1c(C(=O)NCC2([NH+](C)C)CCCCC2)ccc1[N+](=O)[O-] ZINC000345082655 272169130 /nfs/dbraw/zinc/16/91/30/272169130.db2.gz GLDLYYMUSGUTJW-UHFFFAOYSA-N 1 0 308.382 1.928 20 5 DDBDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(OC)c(O)cc1[N+](=O)[O-] ZINC000345850557 272349751 /nfs/dbraw/zinc/34/97/51/272349751.db2.gz LEXQMVQLYDZXLS-MNOVXSKESA-N 1 0 323.349 1.313 20 5 DDBDRO C[NH+](C)CCOCCNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000345939759 272370571 /nfs/dbraw/zinc/37/05/71/272370571.db2.gz SRHLFMNAOYRHRK-UHFFFAOYSA-N 1 0 320.349 1.384 20 5 DDBDRO CC(C)(O)C[NH+]1CCN(c2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC000302884573 273507612 /nfs/dbraw/zinc/50/76/12/273507612.db2.gz LUXKTDUODFDUSL-UHFFFAOYSA-N 1 0 320.393 1.456 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@@]3(CC[N@H+](C)C3)C2)n1 ZINC000292364794 274004798 /nfs/dbraw/zinc/00/47/98/274004798.db2.gz ROSAVQBQLCGLEG-OAHLLOKOSA-N 1 0 320.349 1.308 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C[NH3+])C2CCCC2)c1 ZINC000423937560 274117845 /nfs/dbraw/zinc/11/78/45/274117845.db2.gz GZIIRILLHSBSRY-ZDUSSCGKSA-N 1 0 307.350 1.851 20 5 DDBDRO CS[C@@H]1CN(c2ncc([N+](=O)[O-])c(C)n2)C[C@H]1[NH+]1CCCC1 ZINC000295117239 274183509 /nfs/dbraw/zinc/18/35/09/274183509.db2.gz WGFDHTBDAIMQEO-CHWSQXEVSA-N 1 0 323.422 1.709 20 5 DDBDRO C[C@@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@H](C)CO ZINC000295769889 274244934 /nfs/dbraw/zinc/24/49/34/274244934.db2.gz PUCZKQHHYOAYLL-GHMZBOCLSA-N 1 0 307.350 1.090 20 5 DDBDRO O=[N+]([O-])c1cccc2c(N3CCC[N@@H+](CCO)CC3)ccnc21 ZINC000322142236 275039596 /nfs/dbraw/zinc/03/95/96/275039596.db2.gz JWJFTVOFNUMLNN-UHFFFAOYSA-N 1 0 316.361 1.647 20 5 DDBDRO CC(C)([NH2+]CCCC(=O)NC(N)=O)c1ccccc1[N+](=O)[O-] ZINC000292214532 275552519 /nfs/dbraw/zinc/55/25/19/275552519.db2.gz ULIXWECOISQICV-UHFFFAOYSA-N 1 0 308.338 1.395 20 5 DDBDRO CCCN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[NH2+]C1 ZINC000420300224 275996770 /nfs/dbraw/zinc/99/67/70/275996770.db2.gz UXKVPVRKWDGUNP-OAHLLOKOSA-N 1 0 320.393 1.997 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000331216886 276041842 /nfs/dbraw/zinc/04/18/42/276041842.db2.gz PVNYOXLRRUJJDD-UWVGGRQHSA-N 1 0 309.370 1.654 20 5 DDBDRO CC[NH+]1CCN([C@@H]2CCN(c3ccccc3[N+](=O)[O-])C2)CC1 ZINC000106479484 276386816 /nfs/dbraw/zinc/38/68/16/276386816.db2.gz PHKMNBAUCMERIT-CQSZACIVSA-N 1 0 304.394 1.811 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000417183647 277431908 /nfs/dbraw/zinc/43/19/08/277431908.db2.gz QDCMRUDMRYURJO-VXGBXAGGSA-N 1 0 322.365 1.673 20 5 DDBDRO C[C@@H](C[NH3+])N(C)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000237491943 278247800 /nfs/dbraw/zinc/24/78/00/278247800.db2.gz VBZNEKYNIXFXRB-ZETCQYMHSA-N 1 0 307.759 1.216 20 5 DDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CS(=O)(=O)C[C@@H]1C ZINC000449330548 278298699 /nfs/dbraw/zinc/29/86/99/278298699.db2.gz UQLCWYIBYFHALN-GMXVVIOVSA-N 1 0 312.391 1.549 20 5 DDBDRO CC(C)(C)[C@@H](C[NH3+])NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000261596217 278484856 /nfs/dbraw/zinc/48/48/56/278484856.db2.gz DXNVGRVUUBNBGW-LLVKDONJSA-N 1 0 301.368 1.247 20 5 DDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC(C)(C)CCC[NH3+] ZINC000314596519 278609982 /nfs/dbraw/zinc/60/99/82/278609982.db2.gz PIDQLFAKLHGIKZ-UHFFFAOYSA-N 1 0 315.395 1.699 20 5 DDBDRO C[C@@](CN)([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000420295097 279148695 /nfs/dbraw/zinc/14/86/95/279148695.db2.gz UUOCSXYNIYUJML-HNNXBMFYSA-N 1 0 306.366 1.640 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000330577755 281261188 /nfs/dbraw/zinc/26/11/88/281261188.db2.gz HBNUTEZEANYGQL-CHWSQXEVSA-N 1 0 320.393 1.866 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NCC1CC[NH+](C)CC1 ZINC000127436209 281274741 /nfs/dbraw/zinc/27/47/41/281274741.db2.gz XRQQBJXIRCFIMA-UHFFFAOYSA-N 1 0 307.350 1.675 20 5 DDBDRO C[NH+](C)Cc1cccc(C(=O)NCCn2cc([N+](=O)[O-])cn2)c1 ZINC000129916910 281361358 /nfs/dbraw/zinc/36/13/58/281361358.db2.gz PZZYZERQWQJNCV-UHFFFAOYSA-N 1 0 317.349 1.283 20 5 DDBDRO COC[C@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)C1CC1 ZINC000136626676 281619232 /nfs/dbraw/zinc/61/92/32/281619232.db2.gz LKGJSELISYXYMO-GJZGRUSLSA-N 1 0 319.361 1.715 20 5 DDBDRO C[C@H](c1ccccc1)[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000246630560 282003156 /nfs/dbraw/zinc/00/31/56/282003156.db2.gz AWSBLIBGLYVMAC-IUODEOHRSA-N 1 0 304.350 1.845 20 5 DDBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)C[C@H]1CCOC1 ZINC000247212246 282038700 /nfs/dbraw/zinc/03/87/00/282038700.db2.gz XZCLADODYOWOBH-NWDGAFQWSA-N 1 0 307.350 1.890 20 5 DDBDRO C[N@@H+]1C[C@@H]2CCCN(c3cccc(C(N)=O)c3[N+](=O)[O-])[C@@H]2C1 ZINC000425283445 290281261 /nfs/dbraw/zinc/28/12/61/290281261.db2.gz LWUOLHGQSQCRGW-GXFFZTMASA-N 1 0 304.350 1.224 20 5 DDBDRO C[C@H]1CCCN(c2ccc(C(=O)N(C)CC[NH3+])cc2[N+](=O)[O-])C1 ZINC000424007360 290453838 /nfs/dbraw/zinc/45/38/38/290453838.db2.gz CCDXWDKQFFPHNV-LBPRGKRZSA-N 1 0 320.393 1.862 20 5 DDBDRO Cc1cc(S(=O)(=O)NC[C@H]([NH3+])C(C)C)c(C)cc1[N+](=O)[O-] ZINC000572379944 304522147 /nfs/dbraw/zinc/52/21/47/304522147.db2.gz UVIYNTQIEBDJLO-NSHDSACASA-N 1 0 315.395 1.473 20 5 DDBDRO C[C@H]1CC[N@H+](C)CCN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000354004237 298335929 /nfs/dbraw/zinc/33/59/29/298335929.db2.gz AVVLAZXEDVEDSC-LBPRGKRZSA-N 1 0 307.350 1.526 20 5 DDBDRO COc1ccc(C[NH2+][C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)cc1[N+](=O)[O-] ZINC000363265100 300242043 /nfs/dbraw/zinc/24/20/43/300242043.db2.gz XFCFAMLUBWZXFC-RTXFEEFZSA-N 1 0 319.361 1.702 20 5 DDBDRO O=C(c1n[nH]cc1[N+](=O)[O-])N1CCC[C@H]1C[NH+]1CCCCCC1 ZINC000364616732 300420952 /nfs/dbraw/zinc/42/09/52/300420952.db2.gz TYESPJKNROBMPN-LBPRGKRZSA-N 1 0 321.381 1.799 20 5 DDBDRO C[C@H]1[NH2+]CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])[C@@H]1C ZINC000262813930 300578024 /nfs/dbraw/zinc/57/80/24/300578024.db2.gz YUXOUTFNGYVMES-RKDXNWHRSA-N 1 0 317.342 1.105 20 5 DDBDRO O=C(/C=C/c1ccccc1[N+](=O)[O-])N[C@@H]1CC12CC[NH2+]CC2 ZINC000368374990 301013764 /nfs/dbraw/zinc/01/37/64/301013764.db2.gz ISHKQVWVGYSSGX-VBROQKIQSA-N 1 0 301.346 1.866 20 5 DDBDRO NC(=O)C[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000368578522 301056427 /nfs/dbraw/zinc/05/64/27/301056427.db2.gz NXAYONWCSCISKM-SNVBAGLBSA-N 1 0 321.333 1.159 20 5 DDBDRO CC(C)OC[C@H](O)C[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369012203 301119720 /nfs/dbraw/zinc/11/97/20/301119720.db2.gz UMXJYJZBBXLXBR-GXTWGEPZSA-N 1 0 312.370 1.214 20 5 DDBDRO CC[C@@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)C[C@]2(CCCOC2)O1 ZINC000369535741 301195951 /nfs/dbraw/zinc/19/59/51/301195951.db2.gz CDAZQCPDSRIJDA-HIFRSBDPSA-N 1 0 324.381 1.451 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CCO[C@@H]3CC[N@@H+](C)C[C@H]32)n1 ZINC000408028731 301204600 /nfs/dbraw/zinc/20/46/00/301204600.db2.gz FMMSCEYJTUAKGG-CHWSQXEVSA-N 1 0 306.366 1.516 20 5 DDBDRO CCc1nn(C)c(N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)c1[N+](=O)[O-] ZINC000575357187 304726032 /nfs/dbraw/zinc/72/60/32/304726032.db2.gz NQCOFRZIDPDOLV-RISCZKNCSA-N 1 0 323.397 1.223 20 5 DDBDRO CO[C@@H]1COC[C@H]1[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000575399103 304726919 /nfs/dbraw/zinc/72/69/19/304726919.db2.gz OGUZSBBTFINRJL-ZIAGYGMSSA-N 1 0 323.349 1.235 20 5 DDBDRO O=C(c1ccc([N+](=O)[O-])cn1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000370585744 301369370 /nfs/dbraw/zinc/36/93/70/301369370.db2.gz ZMFCTMZZJGBSFK-UHFFFAOYSA-N 1 0 318.377 1.938 20 5 DDBDRO Cc1ccc(S(=O)(=O)N[C@@H]2C[NH2+]CC[C@H]2C)c([N+](=O)[O-])c1 ZINC000440833253 301692837 /nfs/dbraw/zinc/69/28/37/301692837.db2.gz NWEYRIULSOJAML-GHMZBOCLSA-N 1 0 313.379 1.180 20 5 DDBDRO Nc1c(C(=O)N2[C@@H]3CC[C@H]2C[C@@H]([NH3+])C3)cc(F)cc1[N+](=O)[O-] ZINC000375245232 301917118 /nfs/dbraw/zinc/91/71/18/301917118.db2.gz LOSQMCXVBRNCQK-ILWJIGKKSA-N 1 0 308.313 1.410 20 5 DDBDRO Nc1c(C(=O)N2CC[C@]3(CCC[C@H]3[NH3+])C2)cccc1[N+](=O)[O-] ZINC000377189247 302153902 /nfs/dbraw/zinc/15/39/02/302153902.db2.gz ORRRCNHBRQOUAP-IUODEOHRSA-N 1 0 304.350 1.521 20 5 DDBDRO O=C(NCc1ccccc1[N+](=O)[O-])[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000377748158 302225242 /nfs/dbraw/zinc/22/52/42/302225242.db2.gz TVRXRTJAROFKIW-UONOGXRCSA-N 1 0 303.362 1.847 20 5 DDBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)[C@@]1(F)CC[NH2+]C1 ZINC000378210856 302296076 /nfs/dbraw/zinc/29/60/76/302296076.db2.gz YOYMGOQSWWMXEO-OAHLLOKOSA-N 1 0 309.341 1.735 20 5 DDBDRO CO[C@@]1(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CCOC1 ZINC000518760067 302829654 /nfs/dbraw/zinc/82/96/54/302829654.db2.gz IFSFDUWBOJKAAZ-OAHLLOKOSA-N 1 0 323.349 1.319 20 5 DDBDRO C[N@@H+]1CC[C@@H](C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000537598611 303375408 /nfs/dbraw/zinc/37/54/08/303375408.db2.gz OKDKOLQQSGPOCL-LLVKDONJSA-N 1 0 311.769 1.859 20 5 DDBDRO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000548955672 303600392 /nfs/dbraw/zinc/60/03/92/303600392.db2.gz NJUBMPWSVPJFRR-YPMHNXCESA-N 1 0 323.397 1.948 20 5 DDBDRO O=C(N[C@@H]1CC[N@@H+](C2CCCCCC2)C1)c1[nH]ncc1[N+](=O)[O-] ZINC000362394290 307020765 /nfs/dbraw/zinc/02/07/65/307020765.db2.gz CDKPKVFWHYTGSH-LLVKDONJSA-N 1 0 321.381 1.845 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)c1 ZINC000365350936 307065476 /nfs/dbraw/zinc/06/54/76/307065476.db2.gz AMHMORPTJFAAIY-ZWNOBZJWSA-N 1 0 305.334 1.427 20 5 DDBDRO CC(C)(O)C[N@@H+]1CCCN(c2ncc([N+](=O)[O-])s2)CC1 ZINC000367141061 307086968 /nfs/dbraw/zinc/08/69/68/307086968.db2.gz PFLAFJAGFBFKLS-UHFFFAOYSA-N 1 0 300.384 1.334 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000371019376 307141017 /nfs/dbraw/zinc/14/10/17/307141017.db2.gz RMDYSJIXTSQSGW-OLZOCXBDSA-N 1 0 321.381 1.090 20 5 DDBDRO Cc1cn2c(n1)CN(C(=O)CCn1cc([N+](=O)[O-])nc1C)CC2 ZINC000371707461 307156663 /nfs/dbraw/zinc/15/66/63/307156663.db2.gz ONENAHQYTZXDMI-UHFFFAOYSA-N 1 0 318.337 1.037 20 5 DDBDRO C[N@H+](CCCCCO)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000434682856 307304141 /nfs/dbraw/zinc/30/41/41/307304141.db2.gz BGKVUGTYPHSPOR-HNNXBMFYSA-N 1 0 321.377 1.795 20 5 DDBDRO C[C@@H]1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000572618560 308221199 /nfs/dbraw/zinc/22/11/99/308221199.db2.gz RFNIZIJBYLQYJO-DGCLKSJQSA-N 1 0 306.366 1.721 20 5 DDBDRO C[C@@H]1CCCC[C@@H]1CC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000573713510 308250279 /nfs/dbraw/zinc/25/02/79/308250279.db2.gz WRFJRCBDYQOAIN-UMVBOHGHSA-N 1 0 310.398 1.958 20 5 DDBDRO CC1(CNC(=O)NCc2cccc([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000576373382 308310458 /nfs/dbraw/zinc/31/04/58/308310458.db2.gz IQGNILARUFSJBB-UHFFFAOYSA-N 1 0 306.366 1.784 20 5 DDBDRO C[NH+](C)CCN(CC1CCCCC1)C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000576610078 308327224 /nfs/dbraw/zinc/32/72/24/308327224.db2.gz AHGLLPAWNPZHFR-UHFFFAOYSA-N 1 0 323.397 1.902 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C[C@H]1CCC[C@@H]1O ZINC000576637154 308328869 /nfs/dbraw/zinc/32/88/69/308328869.db2.gz QWHUIBQFKNGDPC-DYEKYZERSA-N 1 0 310.350 1.085 20 5 DDBDRO CCc1ccc(S(=O)(=O)N[C@@H](C)[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000576755139 308337287 /nfs/dbraw/zinc/33/72/87/308337287.db2.gz QWFJSIGEYPGQSO-BDAKNGLRSA-N 1 0 301.368 1.171 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C[C@H]2CCSC2)c1 ZINC000576980372 308353872 /nfs/dbraw/zinc/35/38/72/308353872.db2.gz XXSKPYSPKBMRQL-YPMHNXCESA-N 1 0 312.391 1.677 20 5 DDBDRO COCC1(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCC1 ZINC000577173018 308367832 /nfs/dbraw/zinc/36/78/32/308367832.db2.gz RDZAMRXMFQRQLA-AWEZNQCLSA-N 1 0 324.377 1.741 20 5 DDBDRO C[C@@H]([NH3+])[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000381458362 325741668 /nfs/dbraw/zinc/74/16/68/325741668.db2.gz IKAHYZYJRATJIA-RQJHMYQMSA-N 1 0 307.759 1.262 20 5 DDBDRO Cc1cc(S(=O)(=O)N[C@@H](C)CC[NH3+])c(C)cc1[N+](=O)[O-] ZINC000581896128 325933341 /nfs/dbraw/zinc/93/33/41/325933341.db2.gz ZMXVZPVCMUIGTE-JTQLQIEISA-N 1 0 301.368 1.227 20 5 DDBDRO CSC[C@@H](C)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000583626420 336002643 /nfs/dbraw/zinc/00/26/43/336002643.db2.gz RCHKUGIYGCRNMP-GHMZBOCLSA-N 1 0 300.380 1.676 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@H](c3cccnc3)C2)c1 ZINC000582724547 337125708 /nfs/dbraw/zinc/12/57/08/337125708.db2.gz ZVZXYFQCZZVFDK-DZGCQCFKSA-N 1 0 317.349 1.037 20 5 DDBDRO O=C(C[C@H]1C[NH2+]CCO1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000583087660 337234155 /nfs/dbraw/zinc/23/41/55/337234155.db2.gz ZRJJKRVMZKTDDQ-HNNXBMFYSA-N 1 0 319.361 1.464 20 5 DDBDRO Cc1cc(S(=O)(=O)NC2(C[NH3+])CCCC2)ccc1[N+](=O)[O-] ZINC000178954823 500963439 /nfs/dbraw/zinc/96/34/39/500963439.db2.gz GFAWHODWELMFAV-UHFFFAOYSA-N 1 0 313.379 1.453 20 5 DDBDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000299320903 533818640 /nfs/dbraw/zinc/81/86/40/533818640.db2.gz XLTZKVIABYZVQC-LBPRGKRZSA-N 1 0 309.370 1.172 20 5 DDBDRO Cc1cc(NC(=O)C(=O)NCC2([NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000419833036 533930767 /nfs/dbraw/zinc/93/07/67/533930767.db2.gz YSCDHORSZOCBFW-UHFFFAOYSA-N 1 0 320.349 1.052 20 5 DDBDRO C[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C[C@@H]1[NH+](C)C ZINC000332645754 533970564 /nfs/dbraw/zinc/97/05/64/533970564.db2.gz LHPXRXDDYHCSNC-IUCAKERBSA-N 1 0 319.408 1.227 20 5 DDBDRO COc1ccc(NC(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)cc1[N+](=O)[O-] ZINC000415447138 534133649 /nfs/dbraw/zinc/13/36/49/534133649.db2.gz UDUXHLREVJLTTC-GXSJLCMTSA-N 1 0 308.338 1.723 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000332631023 534341566 /nfs/dbraw/zinc/34/15/66/534341566.db2.gz DPJDROJSZVTDIR-VXGBXAGGSA-N 1 0 304.350 1.976 20 5 DDBDRO NC(=O)c1c[nH+]ccc1NCCNc1ccc([N+](=O)[O-])cc1 ZINC000302212741 534509847 /nfs/dbraw/zinc/50/98/47/534509847.db2.gz HILHNLHTJQGXJV-UHFFFAOYSA-N 1 0 301.306 1.613 20 5 DDBDRO [NH3+]C[C@H]1CCCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000297479484 534689157 /nfs/dbraw/zinc/68/91/57/534689157.db2.gz ZQYSXASMYRLVCT-GFCCVEGCSA-N 1 0 316.361 1.747 20 5 DDBDRO O=C(/C=C/c1ccccc1[N+](=O)[O-])N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000493769058 534778687 /nfs/dbraw/zinc/77/86/87/534778687.db2.gz FFXNYCFDPKHBHS-LHRNQBEKSA-N 1 0 301.346 1.961 20 5 DDBDRO CC(C)(NC(=O)NC[C@@H]([NH3+])C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000418497415 527273907 /nfs/dbraw/zinc/27/39/07/527273907.db2.gz JYIZUKKQCGJLTD-CYBMUJFWSA-N 1 0 306.366 1.866 20 5 DDBDRO CC(C)OC[C@H](CO)[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000433165941 528025386 /nfs/dbraw/zinc/02/53/86/528025386.db2.gz JGCJBLGHAHMGIU-AWEZNQCLSA-N 1 0 312.366 1.691 20 5 DDBDRO CC1=CC[N@H+](CCNc2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000302175985 528120728 /nfs/dbraw/zinc/12/07/28/528120728.db2.gz WGQNLDRMEJZEGN-UHFFFAOYSA-N 1 0 305.338 1.153 20 5 DDBDRO CCOc1cc(C[NH2+][C@](C)(C(N)=O)C(C)C)ccc1[N+](=O)[O-] ZINC000297627809 528284451 /nfs/dbraw/zinc/28/44/51/528284451.db2.gz LTDDIZSRPBCMAA-HNNXBMFYSA-N 1 0 309.366 1.983 20 5 DDBDRO CCCN1C[C@H](C[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)CC1=O ZINC000421355783 528323212 /nfs/dbraw/zinc/32/32/12/528323212.db2.gz VCRZVAWVWPEMAL-ZDUSSCGKSA-N 1 0 321.377 1.952 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NCC[C@H]2CC[NH2+]C2)c1 ZINC000422800451 528610923 /nfs/dbraw/zinc/61/09/23/528610923.db2.gz BVFGEMGFMVBCCM-LLVKDONJSA-N 1 0 307.350 1.723 20 5 DDBDRO CC[NH+]1CCN(CCNC(=O)c2c(C)cccc2[N+](=O)[O-])CC1 ZINC000446056699 529145971 /nfs/dbraw/zinc/14/59/71/529145971.db2.gz ZFTYXOQKWCAPOA-UHFFFAOYSA-N 1 0 320.393 1.271 20 5 DDBDRO C[C@H]1C[C@@H](Nc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000820668798 599590632 /nfs/dbraw/zinc/59/06/32/599590632.db2.gz WOKYVNOMPPLBJS-ONGXEEELSA-N 1 0 317.353 1.670 20 5 DDBDRO C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000119739419 696684941 /nfs/dbraw/zinc/68/49/41/696684941.db2.gz ITVIGVXZEHJRRF-SECBINFHSA-N 1 0 319.408 1.276 20 5 DDBDRO C[NH+](C)CCn1ccc(NC(=O)c2ccc(N)c([N+](=O)[O-])c2)n1 ZINC000120059519 696689480 /nfs/dbraw/zinc/68/94/80/696689480.db2.gz QSTDXVNABGLPFR-UHFFFAOYSA-N 1 0 318.337 1.187 20 5 DDBDRO [NH3+][C@H]1CCC[C@H](NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000125077191 696749567 /nfs/dbraw/zinc/74/95/67/696749567.db2.gz OJJXENMRXHXAOA-IUCAKERBSA-N 1 0 317.342 1.282 20 5 DDBDRO CC[NH2+]CCNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000151389877 696884933 /nfs/dbraw/zinc/88/49/33/696884933.db2.gz ZAKSGWRMKNKNEU-UHFFFAOYSA-N 1 0 303.322 1.120 20 5 DDBDRO CN(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[C@H]1CCC[N@H+](C)C1 ZINC000153538678 696916810 /nfs/dbraw/zinc/91/68/10/696916810.db2.gz XBESYVHINLJIHS-NSHDSACASA-N 1 0 322.321 1.669 20 5 DDBDRO Cc1cccc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c1 ZINC000983649684 697286387 /nfs/dbraw/zinc/28/63/87/697286387.db2.gz QIMDENWXVLOHJS-KLHDSHLOSA-N 1 0 317.389 1.645 20 5 DDBDRO C[NH+](C)C[C@H]1CCN(Cn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000172506155 697368637 /nfs/dbraw/zinc/36/86/37/697368637.db2.gz FYVKTDACJUYNEV-LLVKDONJSA-N 1 0 320.349 1.344 20 5 DDBDRO COC(=O)[C@@]1(C)CC[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000177215357 697411187 /nfs/dbraw/zinc/41/11/87/697411187.db2.gz HVKRNRHHHKUJDP-HNNXBMFYSA-N 1 0 318.333 1.787 20 5 DDBDRO C[NH+]1CCC(ONC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 ZINC000773552377 697779171 /nfs/dbraw/zinc/77/91/71/697779171.db2.gz OMBRFCYFHBZPKD-UHFFFAOYSA-N 1 0 318.333 1.832 20 5 DDBDRO COCC[C@]1([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCOC1 ZINC000773949562 697826345 /nfs/dbraw/zinc/82/63/45/697826345.db2.gz XOFUDTFBHMZTSC-CABCVRRESA-N 1 0 310.350 1.413 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH+]2CCC(OCCCO)CC2)cc1 ZINC000776587936 698122505 /nfs/dbraw/zinc/12/25/05/698122505.db2.gz ZZIAQCKLNNPHQK-MRXNPFEDSA-N 1 0 324.377 1.492 20 5 DDBDRO Cc1nn(CN2CCC[C@H](C(=O)N3CCCC3)C2)cc1[N+](=O)[O-] ZINC000779860548 698476448 /nfs/dbraw/zinc/47/64/48/698476448.db2.gz AQSBGHKNYRNWLG-ZDUSSCGKSA-N 1 0 321.381 1.392 20 5 DDBDRO Cc1nn(CN2CCN(Cc3cccs3)CC2)cc1[N+](=O)[O-] ZINC000779860190 698476532 /nfs/dbraw/zinc/47/65/32/698476532.db2.gz UTLDGGAVQBLHQK-UHFFFAOYSA-N 1 0 321.406 1.937 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)CCC1CC[NH2+]CC1 ZINC000263031720 698488103 /nfs/dbraw/zinc/48/81/03/698488103.db2.gz RZNSBSQPBMDCOI-UHFFFAOYSA-N 1 0 321.377 1.999 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+](CCO)C2CCOCC2)cc1 ZINC000781983005 698669263 /nfs/dbraw/zinc/66/92/63/698669263.db2.gz QJDLONHGJXORFS-HNNXBMFYSA-N 1 0 310.350 1.102 20 5 DDBDRO CN(C)c1nccc(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000783584596 698854478 /nfs/dbraw/zinc/85/44/78/698854478.db2.gz WLUDPJRVLVSJAU-AWEZNQCLSA-N 1 0 317.349 1.274 20 5 DDBDRO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(Cl)c2)CC[N@@H+]1CCO ZINC000783680862 698867661 /nfs/dbraw/zinc/86/76/61/698867661.db2.gz WLDUEAYRDZQGQX-LLVKDONJSA-N 1 0 313.785 1.747 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@@]2(CCC[NH2+]2)C1 ZINC000420394947 699139012 /nfs/dbraw/zinc/13/90/12/699139012.db2.gz BDDRIUWSLWXNDD-INIZCTEOSA-N 1 0 318.377 1.670 20 5 DDBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000420409853 699139707 /nfs/dbraw/zinc/13/97/07/699139707.db2.gz WIRQYEWAXTWJHW-LRDDRELGSA-N 1 0 318.377 1.750 20 5 DDBDRO C[NH+](C)[C@@H]1CCC[C@@H](Nc2cc(N)c([N+](=O)[O-])c(CO)c2)C1 ZINC000786803936 699169782 /nfs/dbraw/zinc/16/97/82/699169782.db2.gz KIOWRHBBLFZTHR-DGCLKSJQSA-N 1 0 308.382 1.954 20 5 DDBDRO COC(=O)[C@@H]1CC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000787328293 699206096 /nfs/dbraw/zinc/20/60/96/699206096.db2.gz QKQBRDZKFRECBF-ZLKJLUDKSA-N 1 0 308.334 1.512 20 5 DDBDRO O=C1C[C@]2(CC[N@@H+](Cc3ccc([N+](=O)[O-])c(Cl)c3)C2)CN1 ZINC000789767331 699407268 /nfs/dbraw/zinc/40/72/68/699407268.db2.gz IHYQQYABKMQJGI-CQSZACIVSA-N 1 0 309.753 1.960 20 5 DDBDRO Cc1ccc([C@@H](C)NC(=S)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000751914377 700325541 /nfs/dbraw/zinc/32/55/41/700325541.db2.gz MHQKSUMJGXCWKL-LLVKDONJSA-N 1 0 310.423 1.990 20 5 DDBDRO COC[C@@H](O)C[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000802310696 700394907 /nfs/dbraw/zinc/39/49/07/700394907.db2.gz LANASAZDDMFUGR-QEJZJMRPSA-N 1 0 308.378 1.903 20 5 DDBDRO C[C@H]1CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000761066246 700837838 /nfs/dbraw/zinc/83/78/38/700837838.db2.gz BFAHBINMVXCTCI-LBPRGKRZSA-N 1 0 306.366 1.559 20 5 DDBDRO CN(C(=O)C[NH2+][C@H](CCO)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000763061399 700923184 /nfs/dbraw/zinc/92/31/84/700923184.db2.gz AGVFADIAJUTBKM-CQSZACIVSA-N 1 0 307.350 1.308 20 5 DDBDRO CC[NH+](CC)CC[C@H](CO)Nc1nc2ccccn2c1[N+](=O)[O-] ZINC000808058718 701495878 /nfs/dbraw/zinc/49/58/78/701495878.db2.gz VDVGUURLJPBSPP-GFCCVEGCSA-N 1 0 321.381 1.747 20 5 DDBDRO CN(C)C(=O)[C@H]1CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000839636457 701761698 /nfs/dbraw/zinc/76/16/98/701761698.db2.gz SJTBTCKHEMACLK-JSGCOSHPSA-N 1 0 307.350 1.038 20 5 DDBDRO Cc1cncc([N+](=O)[O-])c1NC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879214392 706616850 /nfs/dbraw/zinc/61/68/50/706616850.db2.gz QSVROAPUFFUICX-NWDGAFQWSA-N 1 0 319.365 1.278 20 5 DDBDRO C[N@@H+]1CC[C@H]2CN(C(=O)NCc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000868075533 701927196 /nfs/dbraw/zinc/92/71/96/701927196.db2.gz KXLFDLNUDGUOPQ-ZFWWWQNUSA-N 1 0 318.377 1.830 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000868088445 701934554 /nfs/dbraw/zinc/93/45/54/701934554.db2.gz AXDNCFXKSBGNCE-AAEUAGOBSA-N 1 0 320.349 1.962 20 5 DDBDRO CO[C@@H]1CCN(Cn2c3cc([N+](=O)[O-])ccc3oc2=O)C[C@H]1C ZINC000840121602 701980939 /nfs/dbraw/zinc/98/09/39/701980939.db2.gz AWGWMDUQEXIDBA-ZWNOBZJWSA-N 1 0 321.333 1.817 20 5 DDBDRO C[N@@H+]1CCCC[C@H]1CCOC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000840218223 702032665 /nfs/dbraw/zinc/03/26/65/702032665.db2.gz CBAKMWCWASWULI-LBPRGKRZSA-N 1 0 323.349 1.174 20 5 DDBDRO CC[N@H+](Cn1nc(C)c2cc([N+](=O)[O-])cnc21)[C@H]1CCOC1 ZINC000812297270 702140759 /nfs/dbraw/zinc/14/07/59/702140759.db2.gz WQXTXTHDIPRSAG-NSHDSACASA-N 1 0 305.338 1.716 20 5 DDBDRO CN1CC[NH+](C2CCN(c3ccc(F)cc3[N+](=O)[O-])CC2)CC1 ZINC000866214533 706651505 /nfs/dbraw/zinc/65/15/05/706651505.db2.gz PMLRNMSLEGGIEK-UHFFFAOYSA-N 1 0 322.384 1.950 20 5 DDBDRO CC[NH+]1CCN(c2ccc(C(=O)O[C@H](C)C[N+](=O)[O-])cc2)CC1 ZINC000814042335 702467076 /nfs/dbraw/zinc/46/70/76/702467076.db2.gz WHIWWJRMUNTCDK-CYBMUJFWSA-N 1 0 321.377 1.651 20 5 DDBDRO O=C(NC[C@@H]1C[NH2+]CCCO1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000817994085 702546250 /nfs/dbraw/zinc/54/62/50/702546250.db2.gz UWMCPCNGRFVGHQ-JTQLQIEISA-N 1 0 313.741 1.357 20 5 DDBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000841856678 702589732 /nfs/dbraw/zinc/58/97/32/702589732.db2.gz ABFPVNAKXXYWMS-IAZYJMLFSA-N 1 0 310.741 1.265 20 5 DDBDRO C[C@@H]1CN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CC[NH2+]1 ZINC000841857448 702590480 /nfs/dbraw/zinc/59/04/80/702590480.db2.gz ZGYABKTUGDDJDR-SECBINFHSA-N 1 0 312.757 1.752 20 5 DDBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H](CO)c1ccnn1C ZINC000866394821 706689044 /nfs/dbraw/zinc/68/90/44/706689044.db2.gz GJKQLXLPUJYELI-ZWNOBZJWSA-N 1 0 322.340 1.722 20 5 DDBDRO [NH3+]CC1(O)CCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 ZINC000842512730 702730222 /nfs/dbraw/zinc/73/02/22/702730222.db2.gz XEDHUNRAMJKJBT-UHFFFAOYSA-N 1 0 313.741 1.174 20 5 DDBDRO Cc1cc(Cl)c(S(=O)(=O)N[C@H](C)CC[NH3+])cc1[N+](=O)[O-] ZINC000842791025 702774277 /nfs/dbraw/zinc/77/42/77/702774277.db2.gz QILXJCIDYHJZPS-MRVPVSSYSA-N 1 0 321.786 1.572 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@H](CO)Cc2ccco2)c1 ZINC000843059782 702810255 /nfs/dbraw/zinc/81/02/55/702810255.db2.gz NOZGXEKNRANQIR-MLGOLLRUSA-N 1 0 320.345 1.662 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H]2c3ccccc3C[C@H]2O)c1 ZINC000843071387 702813384 /nfs/dbraw/zinc/81/33/84/702813384.db2.gz ZRZVUVYTTVLQAP-ZACQAIPSSA-N 1 0 314.341 1.876 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H]2CCCN(CCCO)C2)c1 ZINC000843097373 702818495 /nfs/dbraw/zinc/81/84/95/702818495.db2.gz YDBAQLYJCJKEAB-GOEBONIOSA-N 1 0 323.393 1.065 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H](CO)Cc2ccncc2)c1 ZINC000843110877 702820891 /nfs/dbraw/zinc/82/08/91/702820891.db2.gz OTAHYSSODHHPJC-ZBFHGGJFSA-N 1 0 317.345 1.216 20 5 DDBDRO Nc1ccc(-c2noc(CC[C@@H]3CC[NH2+]C3)n2)cc1[N+](=O)[O-] ZINC000843169344 702832211 /nfs/dbraw/zinc/83/22/11/702832211.db2.gz CUPZJDFGEQGUEK-SECBINFHSA-N 1 0 303.322 1.769 20 5 DDBDRO COc1cc(Cc2noc(C[C@@H]3CCC[NH2+]3)n2)ccc1[N+](=O)[O-] ZINC000843192483 702838280 /nfs/dbraw/zinc/83/82/80/702838280.db2.gz WBHUCFMFMIXFDM-NSHDSACASA-N 1 0 318.333 1.872 20 5 DDBDRO [NH3+]C[C@H]1CCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC000843327058 702860023 /nfs/dbraw/zinc/86/00/23/702860023.db2.gz BQEQPNSOXFLYLX-MRVPVSSYSA-N 1 0 315.732 1.737 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N[C@H](CC[NH3+])C(F)F ZINC000843483230 702890735 /nfs/dbraw/zinc/89/07/35/702890735.db2.gz GUUKKILIJWUQGA-SNVBAGLBSA-N 1 0 316.308 1.373 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H](C)C[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000843507794 702896911 /nfs/dbraw/zinc/89/69/11/702896911.db2.gz MMWUAZFQNXBDMJ-YUMQZZPRSA-N 1 0 310.310 1.667 20 5 DDBDRO CCCN(C(=O)c1cc([N+](=O)[O-])cnc1N)[C@@H]1CC[N@H+](C)C1 ZINC000843990265 702949831 /nfs/dbraw/zinc/94/98/31/702949831.db2.gz SSRVTIFMSFBWKJ-SNVBAGLBSA-N 1 0 307.354 1.128 20 5 DDBDRO C[NH+](C)CC[C@@H](N)c1nc(-c2ccc(N)c([N+](=O)[O-])c2)no1 ZINC000844906032 703082875 /nfs/dbraw/zinc/08/28/75/703082875.db2.gz GMWLAKXEMBYUKC-SNVBAGLBSA-N 1 0 306.326 1.179 20 5 DDBDRO C[N@@H+]1CC[C@H]2CN(CC(=O)Nc3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000879576438 706724772 /nfs/dbraw/zinc/72/47/72/706724772.db2.gz SCGJMWIDCQPDKF-JSGCOSHPSA-N 1 0 318.377 1.559 20 5 DDBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCS(=O)(=O)C1CC1 ZINC000848553075 703562583 /nfs/dbraw/zinc/56/25/83/703562583.db2.gz IAFQXOYKOSKVTD-CYBMUJFWSA-N 1 0 310.375 1.749 20 5 DDBDRO O=C1O[C@H](C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CN1C1CC1 ZINC000848679185 703575035 /nfs/dbraw/zinc/57/50/35/703575035.db2.gz RQCCGPHNZPBXML-ZIAGYGMSSA-N 1 0 321.333 1.201 20 5 DDBDRO Cc1cncc(CC[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000849330788 703635937 /nfs/dbraw/zinc/63/59/37/703635937.db2.gz CBTCCHIUMSAKRP-HNNXBMFYSA-N 1 0 302.334 1.559 20 5 DDBDRO Cc1ccc(C(=O)N[C@H]2CC[N@H+](CC(C)(C)O)C2)cc1[N+](=O)[O-] ZINC000869785079 703852853 /nfs/dbraw/zinc/85/28/53/703852853.db2.gz BGNAHSQZFHAZQV-ZDUSSCGKSA-N 1 0 321.377 1.478 20 5 DDBDRO C[C@H](COc1ccccc1)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000818965060 704036612 /nfs/dbraw/zinc/03/66/12/704036612.db2.gz CRXNBESYFHEOHR-TZMCWYRMSA-N 1 0 320.349 1.209 20 5 DDBDRO C[C@@H](COc1ccccc1)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000818965056 704036728 /nfs/dbraw/zinc/03/67/28/704036728.db2.gz CRXNBESYFHEOHR-JSGCOSHPSA-N 1 0 320.349 1.209 20 5 DDBDRO O=C1CC[C@@H]2C[N@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)CC[C@H]2N1 ZINC000852495437 704062202 /nfs/dbraw/zinc/06/22/02/704062202.db2.gz KXFFXVZGFSMXHA-BPLDGKMQSA-N 1 0 319.361 1.229 20 5 DDBDRO COC(=O)N(C)CC[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000852569053 704076993 /nfs/dbraw/zinc/07/69/93/704076993.db2.gz AKKSLMLRDSBZES-ZDUSSCGKSA-N 1 0 311.338 1.258 20 5 DDBDRO CCC(=O)N1CC[C@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819163920 704079209 /nfs/dbraw/zinc/07/92/09/704079209.db2.gz OELDRIIIXOLLKQ-GXTWGEPZSA-N 1 0 307.350 1.229 20 5 DDBDRO COC(=O)NC1CC[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000852767039 704119123 /nfs/dbraw/zinc/11/91/23/704119123.db2.gz IVHPMCNHRTWWPD-CQSZACIVSA-N 1 0 323.349 1.449 20 5 DDBDRO C[C@H](C[C@H]1CCCC[N@@H+]1C)OC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000870789998 704133001 /nfs/dbraw/zinc/13/30/01/704133001.db2.gz LXJYCTUEUGYULM-VXGBXAGGSA-N 1 0 310.354 1.597 20 5 DDBDRO C[NH2+]C[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000852920205 704172895 /nfs/dbraw/zinc/17/28/95/704172895.db2.gz NYEDRMUMNVNWOD-LBPRGKRZSA-N 1 0 320.393 1.923 20 5 DDBDRO C[N@@H+]1C[C@@H]2CCCN(c3ccc([N+](=O)[O-])c4nonc43)[C@@H]2C1 ZINC000819953182 704192056 /nfs/dbraw/zinc/19/20/56/704192056.db2.gz LFTLDJNSWFBKAG-JOYOIKCWSA-N 1 0 303.322 1.661 20 5 DDBDRO C[C@H](CC[NH3+])NC(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857766029 704622308 /nfs/dbraw/zinc/62/23/08/704622308.db2.gz XIBSHNYORCKSME-MRVPVSSYSA-N 1 0 303.265 1.420 20 5 DDBDRO Cc1c(Cc2noc(C[C@@H]3COCC[NH2+]3)n2)cccc1[N+](=O)[O-] ZINC000822861667 705063421 /nfs/dbraw/zinc/06/34/21/705063421.db2.gz DHUMALIDSLSYQB-GFCCVEGCSA-N 1 0 318.333 1.408 20 5 DDBDRO Cc1nc([N+](=O)[O-])c(-c2noc([C@H]3C[C@@H](C)CC[NH2+]3)n2)n1C ZINC000823094630 705138057 /nfs/dbraw/zinc/13/80/57/705138057.db2.gz RTGBHTQVGBPBBX-IONNQARKSA-N 1 0 306.326 1.747 20 5 DDBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)C[C@](C)(O)c1ccccc1 ZINC000823592240 705274905 /nfs/dbraw/zinc/27/49/05/705274905.db2.gz QLZAVHRHJOJNME-HNNXBMFYSA-N 1 0 304.350 1.631 20 5 DDBDRO CCC[N@@H+]1CC[C@H](NC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000823921355 705339999 /nfs/dbraw/zinc/33/99/99/705339999.db2.gz SYKUTGBXWHAQEH-NSHDSACASA-N 1 0 307.354 1.783 20 5 DDBDRO COCC[N@@H+]1CC[C@H](NC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000823993477 705350783 /nfs/dbraw/zinc/35/07/83/705350783.db2.gz GITGJJPHZOYQIY-NSHDSACASA-N 1 0 323.353 1.019 20 5 DDBDRO COCC[N@@H+]1CCC[C@H]1COC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000861033930 705353953 /nfs/dbraw/zinc/35/39/53/705353953.db2.gz ZCJANXAHKVZQIB-LBPRGKRZSA-N 1 0 323.349 1.445 20 5 DDBDRO COc1nccnc1CN(CC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000824383348 705441218 /nfs/dbraw/zinc/44/12/18/705441218.db2.gz MWPPSCQREHIVPP-UHFFFAOYSA-N 1 0 303.322 1.359 20 5 DDBDRO CN(C(=O)NCCc1cccc([N+](=O)[O-])c1)[C@H]1CCC[N@H+](C)C1 ZINC000893877084 710870956 /nfs/dbraw/zinc/87/09/56/710870956.db2.gz RXYLAKIAGIKINF-HNNXBMFYSA-N 1 0 320.393 1.873 20 5 DDBDRO C[C@@H]1CCC[N@H+](CCNC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000825098959 705599545 /nfs/dbraw/zinc/59/95/45/705599545.db2.gz RAHWASLORUWKMO-DOMZBBRYSA-N 1 0 321.377 1.476 20 5 DDBDRO CC1(C)[NH2+]CC[C@@H]1NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000825257091 705634062 /nfs/dbraw/zinc/63/40/62/705634062.db2.gz VFINLNYGPONCKO-LBPRGKRZSA-N 1 0 311.313 1.369 20 5 DDBDRO CCOC(=O)Cc1ccc(N2CC([NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000825881582 705740606 /nfs/dbraw/zinc/74/06/06/705740606.db2.gz XBSHCQGCWYQELC-UHFFFAOYSA-N 1 0 307.350 1.451 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N(C)CCN1CC[NH2+]CC1 ZINC000876525757 705746010 /nfs/dbraw/zinc/74/60/10/705746010.db2.gz KIGGEKVJHBGKPK-UHFFFAOYSA-N 1 0 320.393 1.189 20 5 DDBDRO O=C(NCCNc1ccc([N+](=O)[O-])cc1)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876564400 705760385 /nfs/dbraw/zinc/76/03/85/705760385.db2.gz SQBDWMGHFRJMIZ-GWCFXTLKSA-N 1 0 310.329 1.071 20 5 DDBDRO C[C@@H]([NH3+])CN(C)CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000863567469 705960088 /nfs/dbraw/zinc/96/00/88/705960088.db2.gz CVLLAPLOUQBCKO-SNVBAGLBSA-N 1 0 308.338 1.172 20 5 DDBDRO CC(C)N1C[C@@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CC1=O ZINC000877052814 705972531 /nfs/dbraw/zinc/97/25/31/705972531.db2.gz WZBNMCXJODIAJY-CXQJBGSLSA-N 1 0 307.354 1.094 20 5 DDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]CCCO[C@@H]3CCOC3)C2)c1 ZINC000877086780 705979406 /nfs/dbraw/zinc/97/94/06/705979406.db2.gz AVCPFFDDWNOGDI-ORHYLEIMSA-N 1 0 310.354 1.280 20 5 DDBDRO O=C(NC[C@H]1Cc2ccccc2C[NH2+]1)c1ccc([N+](=O)[O-])o1 ZINC000877345779 706073910 /nfs/dbraw/zinc/07/39/10/706073910.db2.gz BWAPPVARXRNUAR-GFCCVEGCSA-N 1 0 301.302 1.632 20 5 DDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]CC[C@@H](O)C(F)(F)F)C2)c1 ZINC000877526911 706131848 /nfs/dbraw/zinc/13/18/48/706131848.db2.gz NBQLSPAEQNNARE-SFVIPPHHSA-N 1 0 308.260 1.398 20 5 DDBDRO CC(C)(O)C[C@H](O)C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000872201575 707323942 /nfs/dbraw/zinc/32/39/42/707323942.db2.gz AZNJNEIKWWFVBY-NSHDSACASA-N 1 0 302.758 1.860 20 5 DDBDRO COCC1([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CCOCC1 ZINC000877549435 706139321 /nfs/dbraw/zinc/13/93/21/706139321.db2.gz NBHHXSRPFGNWED-UHFFFAOYSA-N 1 0 310.354 1.280 20 5 DDBDRO C[N@@H+]1CCCC[C@H](C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000877654214 706171390 /nfs/dbraw/zinc/17/13/90/706171390.db2.gz WTOSNECHGRFQPG-IYXRBSQSSA-N 1 0 307.398 1.816 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1CN1CCO[C@H](CC(N)=O)C1 ZINC000877657467 706172587 /nfs/dbraw/zinc/17/25/87/706172587.db2.gz DGBGMNICJMRXQH-GFCCVEGCSA-N 1 0 307.350 1.288 20 5 DDBDRO O=C1[C@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CCN1C1CCC1 ZINC000877662499 706173005 /nfs/dbraw/zinc/17/30/05/706173005.db2.gz TYIVYEKDQZFDRW-MMWSSPAHSA-N 1 0 319.365 1.238 20 5 DDBDRO CN(CC1([NH+](C)C)CCC1)C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000830648847 706553012 /nfs/dbraw/zinc/55/30/12/706553012.db2.gz SUCKABUWSHKSSH-CQSZACIVSA-N 1 0 321.377 1.571 20 5 DDBDRO Cc1c(CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2CO)cccc1[N+](=O)[O-] ZINC000880070707 706870300 /nfs/dbraw/zinc/87/03/00/706870300.db2.gz KZLHFZCLNKZAHX-LSDHHAIUSA-N 1 0 305.378 1.544 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@@H]1CCOC[C@@H]1OC ZINC000880425997 706970715 /nfs/dbraw/zinc/97/07/15/706970715.db2.gz RFROUJYYEIGOJR-HIFRSBDPSA-N 1 0 310.350 1.839 20 5 DDBDRO CC[N@H+]1[C@H](C)CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)C[C@@H]1C ZINC000880608609 707038623 /nfs/dbraw/zinc/03/86/23/707038623.db2.gz FGWBMADIUHKRJV-AOOOYVTPSA-N 1 0 324.356 1.871 20 5 DDBDRO Cc1c(C(=O)N[C@@H](C)CC[NH3+])cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000834452767 707057564 /nfs/dbraw/zinc/05/75/64/707057564.db2.gz LQIPVZOVKPNOJT-ZETCQYMHSA-N 1 0 310.310 1.587 20 5 DDBDRO Cn1cc([N+](=O)[O-])c(C(=O)NC2CCC(C)([NH+]3CCC3)CC2)n1 ZINC000834786884 707118382 /nfs/dbraw/zinc/11/83/82/707118382.db2.gz VNCVIMJEDMTOID-UHFFFAOYSA-N 1 0 321.381 1.465 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H](CO)[C@@H]1CCOC1 ZINC000873119725 707738168 /nfs/dbraw/zinc/73/81/68/707738168.db2.gz OXTUNNSCOPLEGF-KGLIPLIRSA-N 1 0 308.378 1.946 20 5 DDBDRO CC[N@@H+]1CC[C@@H]1CNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000882960624 707873389 /nfs/dbraw/zinc/87/33/89/707873389.db2.gz QDWGREATYHRWAH-SECBINFHSA-N 1 0 306.322 1.432 20 5 DDBDRO Cn1cc(C[NH2+][C@H](CO)C2CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000883002956 707892724 /nfs/dbraw/zinc/89/27/24/707892724.db2.gz UCIUNBFUTSSAJY-OAHLLOKOSA-N 1 0 316.361 1.856 20 5 DDBDRO O=[N+]([O-])c1cccc(N2CCN(C[C@@H]3C[C@H](F)C[NH2+]3)CC2)c1 ZINC000883423361 707997832 /nfs/dbraw/zinc/99/78/32/707997832.db2.gz JGQVLWIIWCKZQP-STQMWFEESA-N 1 0 308.357 1.417 20 5 DDBDRO CCOc1cc(N2CCN(C)CC[N@H+](C)CC2)ccc1[N+](=O)[O-] ZINC000897099208 708229996 /nfs/dbraw/zinc/22/99/96/708229996.db2.gz XLGVOUBKRFUBHI-UHFFFAOYSA-N 1 0 322.409 1.677 20 5 DDBDRO CC(C)(CCC(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1)[N+](=O)[O-] ZINC000885888706 708655194 /nfs/dbraw/zinc/65/51/94/708655194.db2.gz OBMICPHHFMYOQY-CYBMUJFWSA-N 1 0 313.398 1.191 20 5 DDBDRO C[C@](O)(C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)C(F)F ZINC000886067226 708691496 /nfs/dbraw/zinc/69/14/96/708691496.db2.gz IPYOMZYTXVUBMZ-RNCFNFMXSA-N 1 0 316.308 1.492 20 5 DDBDRO CO[C@@H]1CCC[C@@H]([C@@H](CO)[NH2+]Cc2cccnc2[N+](=O)[O-])C1 ZINC000886274570 708734366 /nfs/dbraw/zinc/73/43/66/708734366.db2.gz WIQUUUSAVOSUFN-MRVWCRGKSA-N 1 0 309.366 1.646 20 5 DDBDRO [NH3+]CCN(CCn1cc([N+](=O)[O-])cn1)Cc1cccc(Cl)c1 ZINC000886863893 708870346 /nfs/dbraw/zinc/87/03/46/708870346.db2.gz YIWPVLGXWQTACM-UHFFFAOYSA-N 1 0 323.784 1.906 20 5 DDBDRO C[N@@H+]1C[C@@H]2CN(C(=O)Cc3cccc([N+](=O)[O-])c3)C[C@]2(C)C1 ZINC000887931740 709169039 /nfs/dbraw/zinc/16/90/39/709169039.db2.gz GOMPOVCVISWDIZ-CJNGLKHVSA-N 1 0 303.362 1.547 20 5 DDBDRO C[N@@H+]1C[C@@H]2CN(C(=O)c3cc(F)ccc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000887934719 709170599 /nfs/dbraw/zinc/17/05/99/709170599.db2.gz RQDROZYNEZGNRV-BMIGLBTASA-N 1 0 307.325 1.758 20 5 DDBDRO O=[N+]([O-])CC[NH2+]C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000899872789 709223841 /nfs/dbraw/zinc/22/38/41/709223841.db2.gz FDUFVGBIBCAIML-SNVBAGLBSA-N 1 0 308.256 1.311 20 5 DDBDRO O=C(NCCNc1ccccc1[N+](=O)[O-])C12CC[NH+](CC1)C2 ZINC000899987221 709259122 /nfs/dbraw/zinc/25/91/22/709259122.db2.gz OZTSGRNEDWCUKQ-UHFFFAOYSA-N 1 0 304.350 1.219 20 5 DDBDRO O=C(c1cccc([N+](=O)[O-])c1)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000889780169 709631163 /nfs/dbraw/zinc/63/11/63/709631163.db2.gz IPIMDYMXYREFAD-LSDHHAIUSA-N 1 0 319.361 1.266 20 5 DDBDRO O=C(CNc1ccccc1[N+](=O)[O-])N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912920459 713124617 /nfs/dbraw/zinc/12/46/17/713124617.db2.gz WHRDFQVECQFNRY-GFCCVEGCSA-N 1 0 304.350 1.313 20 5 DDBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912922138 713125116 /nfs/dbraw/zinc/12/51/16/713125116.db2.gz OFVPZCHQFRDFMJ-CYBMUJFWSA-N 1 0 318.377 1.703 20 5 DDBDRO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912920930 713125300 /nfs/dbraw/zinc/12/53/00/713125300.db2.gz DQTFYZNDBKTEGC-LLVKDONJSA-N 1 0 315.333 1.391 20 5 DDBDRO CC[N@@H+]1CCCN(C(=O)c2c(N)cccc2[N+](=O)[O-])[C@H](C)C1 ZINC000910281808 709863372 /nfs/dbraw/zinc/86/33/72/709863372.db2.gz DWXGYGHNGRZSEO-LLVKDONJSA-N 1 0 306.366 1.733 20 5 DDBDRO C[C@@H]1C[N@H+](CCCOC(=O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000893391567 710632663 /nfs/dbraw/zinc/63/26/63/710632663.db2.gz MPISPAWPGVOKNK-GFCCVEGCSA-N 1 0 308.334 1.862 20 5 DDBDRO CCOC(=O)c1ccnc(N2CC[C@@H]3C[N@H+](C)C[C@@H]32)c1[N+](=O)[O-] ZINC000893941814 710894804 /nfs/dbraw/zinc/89/48/04/710894804.db2.gz WWXPVMKHDVDUOZ-PWSUYJOCSA-N 1 0 320.349 1.307 20 5 DDBDRO C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000911737106 710958473 /nfs/dbraw/zinc/95/84/73/710958473.db2.gz YKSRXNIKCYXOTR-VHDGCEQUSA-N 1 0 303.362 1.909 20 5 DDBDRO O=C(NCC[C@@H]1CC[NH2+]C1)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000911775459 710978576 /nfs/dbraw/zinc/97/85/76/710978576.db2.gz PKKDMABGMAHXBA-NILFDRSVSA-N 1 0 303.362 1.814 20 5 DDBDRO COc1cc([C@@H](C)[NH2+]C[C@H](C)S(C)(=O)=O)cc([N+](=O)[O-])c1 ZINC000903127985 711041134 /nfs/dbraw/zinc/04/11/34/711041134.db2.gz PIPNDPCQDOUSNM-VHSXEESVSA-N 1 0 316.379 1.687 20 5 DDBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C1CC(CC(N)=O)C1 ZINC000903253474 711080824 /nfs/dbraw/zinc/08/08/24/711080824.db2.gz KYPDIRSQDBFPAN-JBLZRFIASA-N 1 0 309.341 1.909 20 5 DDBDRO Cc1ccc([C@H](C)[NH2+]C[C@]2(CO)COCCN2C)cc1[N+](=O)[O-] ZINC000903285919 711089382 /nfs/dbraw/zinc/08/93/82/711089382.db2.gz WTZZCEKOIZQUEN-BBRMVZONSA-N 1 0 323.393 1.247 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H]1CC[NH2+]C12CCC2 ZINC000903466119 711135342 /nfs/dbraw/zinc/13/53/42/711135342.db2.gz PWHMTQOLEBKTQW-CYBMUJFWSA-N 1 0 318.377 1.716 20 5 DDBDRO COc1ccc(OCCN[C@H]2CC[NH2+]C23CCC3)c([N+](=O)[O-])c1 ZINC000903471870 711137547 /nfs/dbraw/zinc/13/75/47/711137547.db2.gz VIIVXGTYRBPEDO-HNNXBMFYSA-N 1 0 321.377 1.856 20 5 DDBDRO [NH3+][C@H]1CN(CCn2ccc([N+](=O)[O-])n2)CC[C@H]1C(F)(F)F ZINC000903540634 711179671 /nfs/dbraw/zinc/17/96/71/711179671.db2.gz XUVCHDMPOACHLC-BDAKNGLRSA-N 1 0 307.276 1.003 20 5 DDBDRO C[N@@H+]1CC[C@@H](Cc2nc(Cc3ccc([N+](=O)[O-])cn3)no2)C1 ZINC000904022654 711365250 /nfs/dbraw/zinc/36/52/50/711365250.db2.gz GRFYHYBHVJVFIP-JTQLQIEISA-N 1 0 303.322 1.458 20 5 DDBDRO C[NH+](C)C[C@]1(O)CCN(c2c3ccccc3ncc2[N+](=O)[O-])C1 ZINC000895011089 711366436 /nfs/dbraw/zinc/36/64/36/711366436.db2.gz ZKNNZOJBFLPJGQ-MRXNPFEDSA-N 1 0 316.361 1.646 20 5 DDBDRO COC(=O)c1cc(C)nc(N[C@@H]2CC[N@H+](C)[C@H]2C)c1[N+](=O)[O-] ZINC000895734792 711589905 /nfs/dbraw/zinc/58/99/05/711589905.db2.gz AUPOKUSTSAFVKI-GXSJLCMTSA-N 1 0 308.338 1.589 20 5 DDBDRO COc1ccc(CC(=O)NC23CC[NH+](CC2)C3)cc1[N+](=O)[O-] ZINC000913628811 713271890 /nfs/dbraw/zinc/27/18/90/713271890.db2.gz PDWUQDGPXKQXDE-UHFFFAOYSA-N 1 0 305.334 1.110 20 5 DDBDRO O=[N+]([O-])CC[NH2+]CCOc1ncc(C(F)(F)F)cc1Cl ZINC000905131363 711945979 /nfs/dbraw/zinc/94/59/79/711945979.db2.gz FJCDAODBCKVZPY-UHFFFAOYSA-N 1 0 313.663 1.999 20 5 DDBDRO CO[C@@]1(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCSC1 ZINC000905546841 712072968 /nfs/dbraw/zinc/07/29/68/712072968.db2.gz PJSKYNNNMQHWTF-ZIAGYGMSSA-N 1 0 312.391 1.740 20 5 DDBDRO CC[C@@H](CN1CCOCC1)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000905552041 712075410 /nfs/dbraw/zinc/07/54/10/712075410.db2.gz LRTBGRZIFSEMIN-HOCLYGCPSA-N 1 0 323.393 1.329 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H]2Cc3ccccc3[C@H]2O)c1 ZINC000905705114 712125680 /nfs/dbraw/zinc/12/56/80/712125680.db2.gz CZPKIUWYHCXDOX-IXDOHACOSA-N 1 0 314.341 1.876 20 5 DDBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC000908052257 712672245 /nfs/dbraw/zinc/67/22/45/712672245.db2.gz CAOPPTACMUFTSA-GOEBONIOSA-N 1 0 321.377 1.051 20 5 DDBDRO C[NH+](C)C[C@@H](CO)NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000908201519 712708845 /nfs/dbraw/zinc/70/88/45/712708845.db2.gz QBAFOCKHDHEZBL-QMMMGPOBSA-N 1 0 319.720 1.040 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@H](O)c2ccco2)c1 ZINC000915223427 713413391 /nfs/dbraw/zinc/41/33/91/713413391.db2.gz JIVUAODLYVAKII-OCCSQVGLSA-N 1 0 322.317 1.251 20 5 DDBDRO CC[C@@H](CO)[NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000916570486 713458366 /nfs/dbraw/zinc/45/83/66/713458366.db2.gz GJCSJKAZWRHGNL-QMMMGPOBSA-N 1 0 301.730 1.547 20 5 DDBDRO C[C@@H]1CC[C@@H](C(N)=O)[C@H](C)[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000930914216 713957197 /nfs/dbraw/zinc/95/71/97/713957197.db2.gz GWZRQAHPYKHLRD-FRRDWIJNSA-N 1 0 321.377 1.948 20 5 DDBDRO C[C@@H]1CC[C@@H](C(N)=O)[C@@H](C)[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000930915426 713957375 /nfs/dbraw/zinc/95/73/75/713957375.db2.gz KWSXGMHCKRNEFO-LALPHHSUSA-N 1 0 321.377 1.948 20 5 DDBDRO C[C@@H]1CC[C@H](C(N)=O)[C@H](C)[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000930915428 713957564 /nfs/dbraw/zinc/95/75/64/713957564.db2.gz KWSXGMHCKRNEFO-XUJVJEKNSA-N 1 0 321.377 1.948 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCCC[C@@H]1C[NH+](C)C ZINC000931905508 714209736 /nfs/dbraw/zinc/20/97/36/714209736.db2.gz JAZDQLVPIGGYQC-GFCCVEGCSA-N 1 0 309.370 1.042 20 5 DDBDRO C[NH2+]C[C@H]1CCCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000923294841 714300464 /nfs/dbraw/zinc/30/04/64/714300464.db2.gz ORGVQSHUSUQYLG-ZIAGYGMSSA-N 1 0 309.366 1.018 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@H](c1ccccn1)C1CC1 ZINC000932380638 714320897 /nfs/dbraw/zinc/32/08/97/714320897.db2.gz DEGDONVDDBUFFU-INIZCTEOSA-N 1 0 314.345 1.892 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC[C@]2(CCC[NH2+]2)C1 ZINC000923382441 714335441 /nfs/dbraw/zinc/33/54/41/714335441.db2.gz YUIGCLXFOQPYRB-CZUORRHYSA-N 1 0 321.377 1.162 20 5 DDBDRO O=[N+]([O-])c1ccccc1OCCN1CCC[C@H]([NH2+]CCO)C1 ZINC000923403332 714344196 /nfs/dbraw/zinc/34/41/96/714344196.db2.gz DTDJRRWQCCTHSY-ZDUSSCGKSA-N 1 0 309.366 1.020 20 5 DDBDRO C[N@@H+]1CC[C@H]1CNC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000925422597 714851431 /nfs/dbraw/zinc/85/14/31/714851431.db2.gz ZZWOADTWQXPCAH-LBPRGKRZSA-N 1 0 320.349 1.072 20 5 DDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCNCC[NH2+]CC1 ZINC000926130886 715010637 /nfs/dbraw/zinc/01/06/37/715010637.db2.gz SAWZZXREZTWWCX-UHFFFAOYSA-N 1 0 321.381 1.184 20 5 DDBDRO C[NH+](C)C1CC(NC(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000935829503 715131255 /nfs/dbraw/zinc/13/12/55/715131255.db2.gz JXBSFVVXJAOCJN-MOQPVCNJSA-N 1 0 303.362 1.907 20 5 DDBDRO O=[N+]([O-])c1ccc2c(ccnc2N2CCN3CC[NH2+]C[C@H]3C2)c1 ZINC001164400338 718843798 /nfs/dbraw/zinc/84/37/98/718843798.db2.gz WXHRYGRDSRNPFW-AWEZNQCLSA-N 1 0 313.361 1.237 20 5 DDBDRO Cc1ncoc1C(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001125325626 732810716 /nfs/dbraw/zinc/81/07/16/732810716.db2.gz JGPFBOUBQDHFNC-UHFFFAOYSA-N 1 0 310.335 1.472 20 5 DDBDRO O=C(Cc1c[nH]cn1)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001167355549 733282072 /nfs/dbraw/zinc/28/20/72/733282072.db2.gz OYPWGVLPCGQOOD-UHFFFAOYSA-N 1 0 317.349 1.157 20 5 DDBDRO O=C(NC1CC2(C1)CC([NH2+]C/C=C\Cl)C2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001121087661 782350990 /nfs/dbraw/zinc/35/09/90/782350990.db2.gz SNFVQOUUTSGQLS-YAGBSGNHSA-N 1 0 313.785 1.421 20 5 DDBDRO Cc1cccc(C)c1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001022063581 734368331 /nfs/dbraw/zinc/36/83/31/734368331.db2.gz DXWJECGVSSMYCO-HLPPOEQASA-N 1 0 317.389 1.705 20 5 DDBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2cccc(F)c2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001022063454 734368648 /nfs/dbraw/zinc/36/86/48/734368648.db2.gz BPRVZMZHMLITGY-XJFOESAGSA-N 1 0 307.325 1.228 20 5 DDBDRO O=C(Cc1ccoc1)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001126131370 738365840 /nfs/dbraw/zinc/36/58/40/738365840.db2.gz TWXWKZQSDNIBPU-UHFFFAOYSA-N 1 0 303.318 1.636 20 5 DDBDRO CCOC(=O)c1cc(N[C@H]2C[NH2+]CC[C@H]2F)ccc1[N+](=O)[O-] ZINC001168230487 741833076 /nfs/dbraw/zinc/83/30/76/741833076.db2.gz BEQAMEYOCZFGJT-NEPJUHHUSA-N 1 0 311.313 1.883 20 5 DDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[N@H+](CCCCCF)CC1 ZINC001195762112 746688922 /nfs/dbraw/zinc/68/89/22/746688922.db2.gz WVMMZWSRJBGTAP-CHWSQXEVSA-N 1 0 301.362 1.326 20 5 DDBDRO CC(C)([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCCCO1 ZINC001197114426 747070820 /nfs/dbraw/zinc/07/08/20/747070820.db2.gz GWSCPHFMFPKJOA-STQMWFEESA-N 1 0 312.370 1.090 20 5 DDBDRO CCN(CCNc1ccc([N+](=O)[O-])cn1)C(=O)CCC[NH+](C)C ZINC001106926818 748159355 /nfs/dbraw/zinc/15/93/55/748159355.db2.gz ZVTNJQNFRRQMEV-UHFFFAOYSA-N 1 0 323.397 1.592 20 5 DDBDRO CC(C)(C)C(=O)C(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001124977249 748742907 /nfs/dbraw/zinc/74/29/07/748742907.db2.gz ZKFOZYGOIUWLIT-UHFFFAOYSA-N 1 0 307.350 1.416 20 5 DDBDRO CCOc1cc(-n2cc3c(n2)CC[C@@H]([NH3+])C3)ccc1[N+](=O)[O-] ZINC001168817318 762028730 /nfs/dbraw/zinc/02/87/30/762028730.db2.gz JNIMMVBLKZWRNJ-LLVKDONJSA-N 1 0 302.334 1.995 20 5 DDBDRO [NH2+]=C(N[C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1cnc2ccc(F)cn21 ZINC001169003055 762173579 /nfs/dbraw/zinc/17/35/79/762173579.db2.gz MQCBIISIJJWBHE-MWLCHTKSSA-N 1 0 305.313 1.834 20 5 DDBDRO NC(=O)c1ccccc1OCC[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168986983 762179725 /nfs/dbraw/zinc/17/97/25/762179725.db2.gz GVWFIXSFOHTLDA-NWDGAFQWSA-N 1 0 307.350 1.199 20 5 DDBDRO Nc1cccnc1N1CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169036498 762191658 /nfs/dbraw/zinc/19/16/58/762191658.db2.gz GCOTTWWMVMNUMT-CHWSQXEVSA-N 1 0 305.382 1.231 20 5 DDBDRO COc1cccnc1O[C@@H]1CC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169050663 762206864 /nfs/dbraw/zinc/20/68/64/762206864.db2.gz CHCYGVHIMOSZOM-BFHYXJOUSA-N 1 0 321.377 1.989 20 5 DDBDRO CCOC(=O)c1cc(-n2ccc([C@H](C)[NH3+])n2)ccc1[N+](=O)[O-] ZINC001169234652 762294694 /nfs/dbraw/zinc/29/46/94/762294694.db2.gz JIOKTGATFDYQKJ-VIFPVBQESA-N 1 0 304.306 1.977 20 5 DDBDRO C[NH+](C)CC1(O)CCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000823684041 758342452 /nfs/dbraw/zinc/34/24/52/758342452.db2.gz LYKPMUDJHDPNGX-UHFFFAOYSA-N 1 0 314.773 1.536 20 5 DDBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2cccc(F)c2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001020138821 760612948 /nfs/dbraw/zinc/61/29/48/760612948.db2.gz BPRVZMZHMLITGY-AAVRWANBSA-N 1 0 307.325 1.228 20 5 DDBDRO O=C(NC[C@H]1C[C@@H]([NH2+]CCc2ccccc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001086083310 760943668 /nfs/dbraw/zinc/94/36/68/760943668.db2.gz UVNLJVZISLZWNM-QKPAOTATSA-N 1 0 317.389 1.379 20 5 DDBDRO O=C(NC[C@H]1C[C@@H]([NH2+]CC2CC3(CCC3)C2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001086084358 760944836 /nfs/dbraw/zinc/94/48/36/760944836.db2.gz NXMURTOLNLLCFA-FAAHXZRKSA-N 1 0 321.421 1.716 20 5 DDBDRO O=C(NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1cocn1 ZINC001155731951 761561224 /nfs/dbraw/zinc/56/12/24/761561224.db2.gz NNEIGOCRELTJNP-UHFFFAOYSA-N 1 0 304.306 1.493 20 5 DDBDRO CN(CCCNc1ncccc1[N+](=O)[O-])C(=O)CCC[NH+](C)C ZINC001109597901 763856452 /nfs/dbraw/zinc/85/64/52/763856452.db2.gz AKIBMJISJHOZDS-UHFFFAOYSA-N 1 0 323.397 1.592 20 5 DDBDRO CCOC(=O)c1ccc(N[C@@H](C)[C@H]2C[NH2+]CCO2)c([N+](=O)[O-])c1 ZINC001170569514 768182977 /nfs/dbraw/zinc/18/29/77/768182977.db2.gz JFTJYBKFDQGVKH-IINYFYTJSA-N 1 0 323.349 1.560 20 5 DDBDRO COc1ccc(C[C@H](C)[NH2+]C2(CO)CCOCC2)c([N+](=O)[O-])c1 ZINC001170307563 766259605 /nfs/dbraw/zinc/25/96/05/766259605.db2.gz HLYHCUWNAKVDIN-LBPRGKRZSA-N 1 0 324.377 1.666 20 5 DDBDRO CNC(=O)CC[N@H+](C)[C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170346630 766277241 /nfs/dbraw/zinc/27/72/41/766277241.db2.gz OWUZMLKAXUCNCE-NSHDSACASA-N 1 0 309.366 1.602 20 5 DDBDRO O=C(NCCC[NH2+]Cc1sccc1Cl)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157767821 766566901 /nfs/dbraw/zinc/56/69/01/766566901.db2.gz WAFZGLJUJAFQFO-PSASIEDQSA-N 1 0 317.798 1.663 20 5 DDBDRO CN(CC[NH3+])CCNc1nccc(Br)c1[N+](=O)[O-] ZINC001170502615 767620774 /nfs/dbraw/zinc/62/07/74/767620774.db2.gz FRBXMDOOEZSKGB-UHFFFAOYSA-N 1 0 318.175 1.055 20 5 DDBDRO CC[C@]([NH3+])(CO)Nc1nc2cc([N+](=O)[O-])ccc2nc1Cl ZINC001170857525 771753619 /nfs/dbraw/zinc/75/36/19/771753619.db2.gz FOJXWFBYCBNKGQ-GFCCVEGCSA-N 1 0 311.729 1.661 20 5 DDBDRO [NH3+]Cc1ccc2cn(-c3c[n+]([O-])c(Cl)cc3[N+](=O)[O-])nc2c1 ZINC001171314956 773269113 /nfs/dbraw/zinc/26/91/13/773269113.db2.gz JQVZCHGBKAUBTC-UHFFFAOYSA-N 1 0 319.708 1.679 20 5 DDBDRO CCn1cnc(C(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)c1 ZINC001148044519 773344619 /nfs/dbraw/zinc/34/46/19/773344619.db2.gz NJZOMYZTZIRPHJ-UHFFFAOYSA-N 1 0 323.378 1.392 20 5 DDBDRO Cc1ccc(N2CCN(C(=O)CC[NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC001093193733 774494473 /nfs/dbraw/zinc/49/44/73/774494473.db2.gz WAYFYDIJERSJJQ-UHFFFAOYSA-N 1 0 320.393 1.504 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]CC1(O)CCOCC1)CC2 ZINC001172900498 776915224 /nfs/dbraw/zinc/91/52/24/776915224.db2.gz UNDLDAPCXPKDMJ-OAHLLOKOSA-N 1 0 320.389 1.973 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2C[C@H](C)[C@H](O)C2)c1F ZINC001173181332 777035233 /nfs/dbraw/zinc/03/52/33/777035233.db2.gz OQGPBRHMPRPQTN-OUJBWJOFSA-N 1 0 312.341 1.986 20 5 DDBDRO CCOC(=O)[C@H](CCC[NH3+])N[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173218902 777050368 /nfs/dbraw/zinc/05/03/68/777050368.db2.gz SSTWJTCJBHHGSO-DOMZBBRYSA-N 1 0 323.393 1.786 20 5 DDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1C[C@H](S(C)(=O)=O)C1 ZINC001173218946 777050948 /nfs/dbraw/zinc/05/09/48/777050948.db2.gz ULACPDBZSDKYTO-JKOKRWQUSA-N 1 0 312.391 1.691 20 5 DDBDRO Cc1cc(N(C(N)=[NH2+])[C@H](C)Cc2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001173226493 777062685 /nfs/dbraw/zinc/06/26/85/777062685.db2.gz MCSLPNVPAGMQJR-SNVBAGLBSA-N 1 0 302.338 1.957 20 5 DDBDRO O=C1C[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CN1CC1CC1 ZINC001119451007 781458100 /nfs/dbraw/zinc/45/81/00/781458100.db2.gz SNTWSTGNNXANCG-AWEZNQCLSA-N 1 0 303.362 1.738 20 5 DDBDRO Cc1nc(N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)ncc1[N+](=O)[O-] ZINC001120059081 781741984 /nfs/dbraw/zinc/74/19/84/781741984.db2.gz CZZSBHCZNFTIBZ-JQWIXIFHSA-N 1 0 309.395 1.685 20 5 DDBDRO O=C(NC1(C[NH2+]Cc2ccsc2)CCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001269545616 841748207 /nfs/dbraw/zinc/74/82/07/841748207.db2.gz WWDAWCCFBFUTRV-CHWSQXEVSA-N 1 0 323.418 1.932 20 5 DDBDRO CC(C)(C)OC(=O)N1CCOC[C@@H](OCC[N+](C)(C)C)C1 ZINC001224771327 845625807 /nfs/dbraw/zinc/62/58/07/845625807.db2.gz JWDQVEQMWXTIFN-ZDUSSCGKSA-N 1 0 303.423 1.345 20 5 DDBDRO Cc1nc(NC[C@@H]2CCC3(CC[NH2+]CC3)CO2)ncc1[N+](=O)[O-] ZINC001155391347 862030772 /nfs/dbraw/zinc/03/07/72/862030772.db2.gz YVLSZAKGBLHKMA-LBPRGKRZSA-N 1 0 321.381 1.654 20 5 DDBDRO O=[N+]([O-])c1ccc2ccnc(N[C@@H]3COCCC34C[NH2+]C4)c2c1 ZINC001155467001 862116376 /nfs/dbraw/zinc/11/63/76/862116376.db2.gz ADXALXLHWHHIPX-CQSZACIVSA-N 1 0 314.345 1.933 20 5 DDBDRO Cc1c(C)c(NC[C@@H]2OC[C@H]3C[NH2+]CC[C@H]32)ncc1[N+](=O)[O-] ZINC001155527049 862194523 /nfs/dbraw/zinc/19/45/23/862194523.db2.gz IXHDJUOWYVVCIM-BZPMIXESSA-N 1 0 306.366 1.643 20 5 DDBDRO CCN(CC[NH2+]Cc1c([N+](=O)[O-])ncn1C)C(=O)CC1(C)CC1 ZINC001273514487 851047228 /nfs/dbraw/zinc/04/72/28/851047228.db2.gz WXRSWNCXVRLRRM-UHFFFAOYSA-N 1 0 323.397 1.457 20 5 DDBDRO O=[N+]([O-])c1cccnc1N1CC[NH+](CC2CCC(O)CC2)CC1 ZINC001327536276 862249652 /nfs/dbraw/zinc/24/96/52/862249652.db2.gz ZYGDEZFNURUNAA-UHFFFAOYSA-N 1 0 320.393 1.663 20 5 DDBDRO Cc1cnc(NC[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)c([N+](=O)[O-])c1 ZINC001155592468 862267968 /nfs/dbraw/zinc/26/79/68/862267968.db2.gz PKNFIXBWEDHKJO-IUODEOHRSA-N 1 0 306.366 1.869 20 5 DDBDRO COC(=O)C1(Nc2ncc([N+](=O)[O-])cc2Cl)CC[NH2+]CC1 ZINC001156528933 863121546 /nfs/dbraw/zinc/12/15/46/863121546.db2.gz KRSYQAXWSWLDTR-UHFFFAOYSA-N 1 0 314.729 1.350 20 5 DDBDRO [NH3+][C@@H]1CCN(c2ccc(-c3ccc(F)c([N+](=O)[O-])c3)nn2)C1 ZINC001156233107 862845835 /nfs/dbraw/zinc/84/58/35/862845835.db2.gz OCXCJJXJZRRLLF-SNVBAGLBSA-N 1 0 303.297 1.728 20 5 DDBDRO CCC[N@@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC001328431112 862970896 /nfs/dbraw/zinc/97/08/96/862970896.db2.gz CFTBYDZVUWKSQA-LLVKDONJSA-N 1 0 322.321 1.717 20 5 DDBDRO Cc1nc(Cl)nc(N2C[C@H]3C[C@@]3(C[NH+](C)C)C2)c1[N+](=O)[O-] ZINC001156377018 862989094 /nfs/dbraw/zinc/98/90/94/862989094.db2.gz XJPQKJKHWHFUNT-NOZJJQNGSA-N 1 0 311.773 1.735 20 5 DDBDRO CC1(C)[NH2+]CC[C@H]1NC(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC001121945856 858642023 /nfs/dbraw/zinc/64/20/23/858642023.db2.gz HLOBFDRIOSGTJV-CYBMUJFWSA-N 1 0 309.341 1.923 20 5 DDBDRO C[C@@H](CNC(=O)[C@@H]1[C@@H]2CC[NH2+]C[C@@H]21)c1ccccc1[N+](=O)[O-] ZINC001122267054 858731142 /nfs/dbraw/zinc/73/11/42/858731142.db2.gz JMAZJVGZVDVIFY-QMPIGLIWSA-N 1 0 303.362 1.670 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)O[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC001123003175 859049374 /nfs/dbraw/zinc/04/93/74/859049374.db2.gz RHLDJEYWVMVRDE-VXGBXAGGSA-N 1 0 308.338 1.270 20 5 DDBDRO Cc1cc(C(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)no1 ZINC001123186725 859121773 /nfs/dbraw/zinc/12/17/73/859121773.db2.gz JVDWIWBNAILKPR-UHFFFAOYSA-N 1 0 310.335 1.472 20 5 DDBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CCC2(CC1)CC[NH+](C)CC2 ZINC001156574976 863160767 /nfs/dbraw/zinc/16/07/67/863160767.db2.gz KZTYQHQBQNMSNS-UHFFFAOYSA-N 1 0 320.393 1.849 20 5 DDBDRO CCc1n[nH]c(C(=O)NC2CCC(C)([NH+](C)C)CC2)c1[N+](=O)[O-] ZINC001152151629 863191641 /nfs/dbraw/zinc/19/16/41/863191641.db2.gz NNEROQGFLCWYJG-UHFFFAOYSA-N 1 0 323.397 1.873 20 5 DDBDRO O=[N+]([O-])c1cnc(NC2(C3CCOCC3)CC2)nc1C1C[NH2+]C1 ZINC001156927549 863453393 /nfs/dbraw/zinc/45/33/93/863453393.db2.gz BULJSDNSQYDCFU-UHFFFAOYSA-N 1 0 319.365 1.443 20 5 DDBDRO O=C([C@@H]1C[C@]12CCC[NH2+]C2)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001329099339 863475308 /nfs/dbraw/zinc/47/53/08/863475308.db2.gz JACWYGYVWYQECF-HOCLYGCPSA-N 1 0 301.346 1.827 20 5 DDBDRO COC(=O)[C@@H](CCC[NH3+])Nc1nccc2cc([N+](=O)[O-])ccc21 ZINC001157119738 863596640 /nfs/dbraw/zinc/59/66/40/863596640.db2.gz GTPJTPLPAFEDGL-CYBMUJFWSA-N 1 0 318.333 1.835 20 5 DDBDRO O=[N+]([O-])c1c(Cl)nc(C(F)(F)F)nc1N1C[C@@H]2C[NH2+][C@@H]2C1 ZINC001157623623 863986048 /nfs/dbraw/zinc/98/60/48/863986048.db2.gz FZGVURJOVKKQAC-CRCLSJGQSA-N 1 0 323.662 1.465 20 5 DDBDRO CCC[NH+]1C[C@@H]2CN(c3ncc([N+](=O)[O-])cc3[N+](=O)[O-])C[C@H]2C1 ZINC001157691009 864050387 /nfs/dbraw/zinc/05/03/87/864050387.db2.gz NJUMNMCTVBXSDF-GHMZBOCLSA-N 1 0 321.337 1.676 20 5 DDBDRO CCC[NH+]1C[C@@H]2CN(c3ncnc(OC)c3[N+](=O)[O-])C[C@H]2C1 ZINC001157692631 864052726 /nfs/dbraw/zinc/05/27/26/864052726.db2.gz YBGGIPVTIAIDFB-GHMZBOCLSA-N 1 0 307.354 1.171 20 5 DDBDRO O=C(NCCC[NH2+]Cc1ccc(F)c(F)c1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157761414 864111506 /nfs/dbraw/zinc/11/15/06/864111506.db2.gz RNJXGAAWZSUKEG-ZWNOBZJWSA-N 1 0 313.304 1.226 20 5 DDBDRO Cc1cccc(CCC[NH2+]CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC001157766813 864115458 /nfs/dbraw/zinc/11/54/58/864115458.db2.gz AAGGJQQXXHAHDR-HZPDHXFCSA-N 1 0 319.405 1.689 20 5 DDBDRO Cc1nn(C(C)C)cc1C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157775599 864130988 /nfs/dbraw/zinc/13/09/88/864130988.db2.gz RLXPIYZJJOIRQH-ZIAGYGMSSA-N 1 0 323.397 1.034 20 5 DDBDRO CC(C)N(c1c(Cl)[n+]([O-])ccc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC001158025503 864366906 /nfs/dbraw/zinc/36/69/06/864366906.db2.gz NCUBHQWHPWMDOI-SECBINFHSA-N 1 0 300.746 1.458 20 5 DDBDRO CCOC(=O)c1ccnc(N2CC[N@@H+]3CC[C@H]3C2)c1[N+](=O)[O-] ZINC001158432742 864653083 /nfs/dbraw/zinc/65/30/83/864653083.db2.gz YZFQCDXFSDWYIT-JTQLQIEISA-N 1 0 306.322 1.061 20 5 DDBDRO COC(=O)[C@]12CC[NH2+][C@H]1CN(c1ncc([N+](=O)[O-])cc1C)CC2 ZINC001158634466 864772503 /nfs/dbraw/zinc/77/25/03/864772503.db2.gz CAZMYQRSLJHZRE-WFASDCNBSA-N 1 0 320.349 1.030 20 5 DDBDRO [NH3+]Cc1ccc2nnn(-c3ncc([N+](=O)[O-])cc3[N+](=O)[O-])c2c1 ZINC001159026323 865052511 /nfs/dbraw/zinc/05/25/11/865052511.db2.gz HXDOQLVULFPGQK-UHFFFAOYSA-N 1 0 315.249 1.091 20 5 DDBDRO O=[N+]([O-])c1cc(C(F)(F)NC[C@H]2COCC[NH2+]2)cnc1Cl ZINC001159038424 865059547 /nfs/dbraw/zinc/05/95/47/865059547.db2.gz ZFGOUMQEKKQBKX-QMMMGPOBSA-N 1 0 322.699 1.271 20 5 DDBDRO [NH3+]C[C@H]1COc2ccccc2N1c1nc(Cl)ncc1[N+](=O)[O-] ZINC001160196102 865721908 /nfs/dbraw/zinc/72/19/08/865721908.db2.gz RBZCDIYGRUWXBG-QMMMGPOBSA-N 1 0 321.724 1.896 20 5 DDBDRO COC(=O)c1cnc(Nc2ccc(C[NH3+])nc2)c([N+](=O)[O-])c1 ZINC001160402565 865817461 /nfs/dbraw/zinc/81/74/61/865817461.db2.gz VMSNKQROBCIZAY-UHFFFAOYSA-N 1 0 303.278 1.374 20 5 DDBDRO Nc1cc(N[C@H]2CC[NH2+]C[C@@H]2C(F)(F)F)ncc1[N+](=O)[O-] ZINC001160738846 866088619 /nfs/dbraw/zinc/08/86/19/866088619.db2.gz KVOWUJQMTTZNLZ-XPUUQOCRSA-N 1 0 305.260 1.524 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)CN(C[C@@H](O)CC1(O)CCOCC1)C2 ZINC001333020104 866345094 /nfs/dbraw/zinc/34/50/94/866345094.db2.gz VZHWTGZVFSFECG-HNNXBMFYSA-N 1 0 322.361 1.203 20 5 DDBDRO COc1cc(N(C2COC2)[C@H]2CC[C@H]([NH3+])CC2)ncc1[N+](=O)[O-] ZINC001161276789 866486431 /nfs/dbraw/zinc/48/64/31/866486431.db2.gz JZBFENVJOAZFNX-XYPYZODXSA-N 1 0 322.365 1.474 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1-c1nc([C@H]2C[NH+]3CCC2CC3)no1 ZINC001320327798 866647563 /nfs/dbraw/zinc/64/75/63/866647563.db2.gz MPFRROCQBPCMDV-VIFPVBQESA-N 1 0 304.310 1.188 20 5 DDBDRO C[C@H]1C[NH2+]CCC[C@@H]1CNc1ccc([N+](=O)[O-])c(C(N)=O)n1 ZINC001162456419 867548452 /nfs/dbraw/zinc/54/84/52/867548452.db2.gz WQXLVFKSWMTNTR-VHSXEESVSA-N 1 0 307.354 1.136 20 5 DDBDRO C[C@H]1C[NH2+]CCC[C@@H]1CNc1ccc([N+](=O)[O-])c2c1CNC2=O ZINC001162469290 867556362 /nfs/dbraw/zinc/55/63/62/867556362.db2.gz AKPJXCLBINFKCB-WDEREUQCSA-N 1 0 318.377 1.886 20 5 DDBDRO CCOC(=O)c1cnc(NC[C@@H]2C[C@H](F)C[NH2+]2)c([N+](=O)[O-])c1 ZINC001162473020 867560116 /nfs/dbraw/zinc/56/01/16/867560116.db2.gz YBGYIGCKPONFEP-UWVGGRQHSA-N 1 0 312.301 1.278 20 5 DDBDRO CC(=O)N1CCc2cc(N[C@@H]3CC[NH2+][C@@H]3C)cc([N+](=O)[O-])c21 ZINC001162675753 867718390 /nfs/dbraw/zinc/71/83/90/867718390.db2.gz DQBJJNBCSGNSDQ-NOZJJQNGSA-N 1 0 304.350 1.666 20 5 DDBDRO C[NH+]1CCN(C(C)(C)CNC(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001321819802 867811982 /nfs/dbraw/zinc/81/19/82/867811982.db2.gz YSOZKYSNCOOYCN-UHFFFAOYSA-N 1 0 320.393 1.351 20 5 DDBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1Nc1ccc([C@H](C[NH3+])CO)cc1 ZINC001163053130 868042287 /nfs/dbraw/zinc/04/22/87/868042287.db2.gz OFRDRQQKLBSUOZ-GFCCVEGCSA-N 1 0 318.333 1.315 20 5 DDBDRO CC[NH+](CC)CCNC(=N)Nc1nccc(Cl)c1[N+](=O)[O-] ZINC001163122399 868125557 /nfs/dbraw/zinc/12/55/57/868125557.db2.gz JAZLWBXWXNVBQW-UHFFFAOYSA-N 1 0 314.777 1.921 20 5 DDBDRO COc1cnc(NCc2noc3c2C[NH2+]CC3)cc1[N+](=O)[O-] ZINC001163130219 868137297 /nfs/dbraw/zinc/13/72/97/868137297.db2.gz VCWNXOUHIYDQIF-UHFFFAOYSA-N 1 0 305.294 1.244 20 5 DDBDRO CC(C)(C)c1ccc(N[C@@]23CC[NH2+][C@@H]2CC(=O)N3)c([N+](=O)[O-])c1 ZINC001163252785 868261979 /nfs/dbraw/zinc/26/19/79/868261979.db2.gz WZSNPNAXVJWIAM-CZUORRHYSA-N 1 0 318.377 1.882 20 5 DDBDRO C[C@@H]1SCC[C@@H]1[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC001335471364 868322596 /nfs/dbraw/zinc/32/25/96/868322596.db2.gz ZPWDHBGEJDINOM-JKOKRWQUSA-N 1 0 312.391 1.818 20 5 DDBDRO CCC(=O)Nc1ccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)cc1 ZINC001226060472 882184216 /nfs/dbraw/zinc/18/42/16/882184216.db2.gz YRXFKQMADNVBFO-CYBMUJFWSA-O 1 0 309.386 1.398 20 5 DDBDRO CCOC(=O)CC1([NH3+])CCN(c2cccc([N+](=O)[O-])n2)CC1 ZINC001163528086 868509432 /nfs/dbraw/zinc/50/94/32/868509432.db2.gz TYVBRNORRXPDNZ-UHFFFAOYSA-N 1 0 308.338 1.241 20 5 DDBDRO CN1CCCC[C@@H]1C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC001335917069 868616548 /nfs/dbraw/zinc/61/65/48/868616548.db2.gz KIVLEYATHZOFPF-ZIAGYGMSSA-N 1 0 323.393 1.408 20 5 DDBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@@H]1C[NH+]2CCC1CC2 ZINC001336041870 868693375 /nfs/dbraw/zinc/69/33/75/868693375.db2.gz RMLSGCFPEXAOQK-CQSZACIVSA-N 1 0 321.402 1.897 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@@H](C)CC[C@@H]1C[NH3+] ZINC001164061688 868920693 /nfs/dbraw/zinc/92/06/93/868920693.db2.gz GUQPXEMAGBZVNJ-VHSXEESVSA-N 1 0 308.338 1.340 20 5 DDBDRO COC(=O)c1cnc(N2C[C@@H](C)CC[C@@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC001164070072 868924124 /nfs/dbraw/zinc/92/41/24/868924124.db2.gz MZXHHPPQQPOKQP-GXSJLCMTSA-N 1 0 308.338 1.340 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@@H](C)CC[C@@H]2C[NH3+])n1 ZINC001164078738 868928906 /nfs/dbraw/zinc/92/89/06/868928906.db2.gz PVGKGSKITHJJAZ-VHSXEESVSA-N 1 0 308.338 1.340 20 5 DDBDRO CC/C=C/CC[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001164494926 869234118 /nfs/dbraw/zinc/23/41/18/869234118.db2.gz YNNIGXHLCIXAQW-LSMGEYOZSA-N 1 0 309.410 1.884 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N(CCC[NH3+])CC(F)(F)F ZINC001336992720 869248501 /nfs/dbraw/zinc/24/85/01/869248501.db2.gz LFDQMEZKSVOHPC-UHFFFAOYSA-N 1 0 308.260 1.287 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])cc(NCC[C@@H]2CCC[N@H+](C)C2)n1 ZINC001165261592 869474493 /nfs/dbraw/zinc/47/44/93/869474493.db2.gz RPYSAYARJZOWGI-NSHDSACASA-N 1 0 322.365 1.920 20 5 DDBDRO COc1nc(C)nc(NCC[C@H]2CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC001165261659 869474716 /nfs/dbraw/zinc/47/47/16/869474716.db2.gz RXMFCQKTEYPRGL-LLVKDONJSA-N 1 0 309.370 1.846 20 5 DDBDRO COC(=O)c1cnc(N2CCC(F)(C[NH3+])CC2)c([N+](=O)[O-])c1 ZINC001165263300 869477144 /nfs/dbraw/zinc/47/71/44/869477144.db2.gz WJAVZDPZLYKNSS-UHFFFAOYSA-N 1 0 312.301 1.044 20 5 DDBDRO O=[N+]([O-])c1cnc(N2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)c(Cl)c1 ZINC001165287133 869497646 /nfs/dbraw/zinc/49/76/46/869497646.db2.gz PTCUUZUUNFOTNG-BXKDBHETSA-N 1 0 312.757 1.458 20 5 DDBDRO Cc1nocc1C(=O)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001165666062 869671416 /nfs/dbraw/zinc/67/14/16/869671416.db2.gz AKASIKVWCZOXPW-UHFFFAOYSA-N 1 0 318.333 1.801 20 5 DDBDRO C[C@@H]1CCN(CC[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC001338493461 870011422 /nfs/dbraw/zinc/01/14/22/870011422.db2.gz ZTDOGKHZGBKAJG-CYBMUJFWSA-N 1 0 320.393 1.855 20 5 DDBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC001338758603 870154738 /nfs/dbraw/zinc/15/47/38/870154738.db2.gz GWUFBVSNCHENMN-CQSZACIVSA-N 1 0 320.393 1.777 20 5 DDBDRO COc1nc(-n2ccc([C@@H]3CCC[NH2+]3)nc2=N)ccc1[N+](=O)[O-] ZINC001166700857 870168880 /nfs/dbraw/zinc/16/88/80/870168880.db2.gz QGWJKLOYJKPYNU-VIFPVBQESA-N 1 0 316.321 1.088 20 5 DDBDRO Cc1c(C[NH2+]C(C)(C)CNS(C)(=O)=O)cccc1[N+](=O)[O-] ZINC001203761281 870743572 /nfs/dbraw/zinc/74/35/72/870743572.db2.gz YCGRISVYNISDTP-UHFFFAOYSA-N 1 0 315.395 1.321 20 5 DDBDRO COC(=O)c1ccnc(N[C@@H]2CC[C@H]3C[N@H+](C)C[C@@H]32)c1[N+](=O)[O-] ZINC001339998978 870829207 /nfs/dbraw/zinc/82/92/07/870829207.db2.gz LEMQLKCQLXUNRB-ZMLRMANQSA-N 1 0 320.349 1.529 20 5 DDBDRO C[C@@H]([NH3+])CONC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC001340455709 871122142 /nfs/dbraw/zinc/12/21/42/871122142.db2.gz DYDLIBGLIZUMBQ-ZCFIWIBFSA-N 1 0 318.127 1.366 20 5 DDBDRO C[C@@H]([NH3+])CONC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC001340589938 871213535 /nfs/dbraw/zinc/21/35/35/871213535.db2.gz SRDJZHRVAXAWHJ-SNVBAGLBSA-N 1 0 308.338 1.204 20 5 DDBDRO CN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)c1ncccn1 ZINC001317642335 871288219 /nfs/dbraw/zinc/28/82/19/871288219.db2.gz FCKAHHHRFVVWOM-UHFFFAOYSA-N 1 0 315.333 1.247 20 5 DDBDRO COC(=O)c1cnc(NC[C@@H]2C[NH+]3CCC2CC3)c([N+](=O)[O-])c1 ZINC001307230342 871413214 /nfs/dbraw/zinc/41/32/14/871413214.db2.gz PODVYDNZMYBJDC-GFCCVEGCSA-N 1 0 320.349 1.530 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NCC[C@@H]1C[NH2+]C[C@H]1C ZINC001341012695 871465090 /nfs/dbraw/zinc/46/50/90/871465090.db2.gz AIHUIJBRQNKIRN-VXGBXAGGSA-N 1 0 321.377 1.969 20 5 DDBDRO O=[N+]([O-])c1ccccc1C[NH+]1CCC(Cc2nn[nH]n2)CC1 ZINC001308048969 871465268 /nfs/dbraw/zinc/46/52/68/871465268.db2.gz ZMEKSKVWZFEJBE-UHFFFAOYSA-N 1 0 302.338 1.563 20 5 DDBDRO COC(=O)N1CCC[C@H]([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC001308240197 871482454 /nfs/dbraw/zinc/48/24/54/871482454.db2.gz DLJFRFJKBSXSJK-LBPRGKRZSA-N 1 0 323.349 1.924 20 5 DDBDRO CNc1ccc(C(=O)NCC[C@@H]2CSCC[NH2+]2)cc1[N+](=O)[O-] ZINC001341146499 871528843 /nfs/dbraw/zinc/52/88/43/871528843.db2.gz DNOSAFNHKVXOEO-LLVKDONJSA-N 1 0 324.406 1.461 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC001341467797 871671038 /nfs/dbraw/zinc/67/10/38/871671038.db2.gz UAEBVNHIOVMUBY-CYBMUJFWSA-N 1 0 306.366 1.389 20 5 DDBDRO [NH3+]C[C@]12CC[C@H]1CCN2C(=O)COc1cccc([N+](=O)[O-])c1 ZINC001341480485 871676605 /nfs/dbraw/zinc/67/66/05/871676605.db2.gz CQISYGDUBDBYMW-XHDPSFHLSA-N 1 0 305.334 1.313 20 5 DDBDRO Cc1cc(CN2CCCN(c3c([N+](=O)[O-])ncn3C)CC2)no1 ZINC001318104153 871748342 /nfs/dbraw/zinc/74/83/42/871748342.db2.gz OWOVKVANURYBQR-UHFFFAOYSA-N 1 0 320.353 1.337 20 5 DDBDRO CN(C(=O)CCc1cc(F)ccc1[N+](=O)[O-])[C@H](C[NH3+])C1CC1 ZINC001341945430 871906984 /nfs/dbraw/zinc/90/69/84/871906984.db2.gz YHOLLXRRJHSGFG-CQSZACIVSA-N 1 0 309.341 1.862 20 5 DDBDRO [NH3+]C[C@H](O)Cc1nc(-c2ccc3ccc4cccnc4c3n2)no1 ZINC001206019850 871998507 /nfs/dbraw/zinc/99/85/07/871998507.db2.gz YWXJEUWXNLCJTG-GFCCVEGCSA-N 1 0 321.340 1.695 20 5 DDBDRO O=C(c1ccc([N+](=O)[O-])s1)N1CCC(OC2C[NH2+]C2)CC1 ZINC001342490687 872234033 /nfs/dbraw/zinc/23/40/33/872234033.db2.gz LWBNBUOHSLNQIG-UHFFFAOYSA-N 1 0 311.363 1.249 20 5 DDBDRO C[NH2+]C[C@H](C)CNC(=O)NC[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001346460898 873762749 /nfs/dbraw/zinc/76/27/49/873762749.db2.gz ATARIOFRCARECF-NWDGAFQWSA-N 1 0 308.382 1.853 20 5 DDBDRO C[NH+](C)CCCNc1ccc([N+](=O)[O-])cc1N1CCOC1=O ZINC001347856851 874292286 /nfs/dbraw/zinc/29/22/86/874292286.db2.gz YOEXODXYZMKPNL-UHFFFAOYSA-N 1 0 308.338 1.915 20 5 DDBDRO C[N@@H+]1CCC[C@@H](Oc2[nH]c(=O)nc3ccc([N+](=O)[O-])cc32)C1 ZINC001227093058 882825667 /nfs/dbraw/zinc/82/56/67/882825667.db2.gz RPFYUYOHDAUPMO-SNVBAGLBSA-N 1 0 304.306 1.717 20 5 DDBDRO C[NH+](C)CCN(C(=O)c1c[nH]nc1[N+](=O)[O-])c1ccccc1 ZINC001348533067 874618201 /nfs/dbraw/zinc/61/82/01/874618201.db2.gz UPCDXYBCYPRNIF-UHFFFAOYSA-N 1 0 303.322 1.526 20 5 DDBDRO Cc1cncc([N+](=O)[O-])c1NC(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC001216480417 876955559 /nfs/dbraw/zinc/95/55/59/876955559.db2.gz OOXXHZJHZFUMOH-CMPLNLGQSA-N 1 0 319.365 1.324 20 5 DDBDRO CC(C)OC(=O)c1ccccc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001227618655 883107052 /nfs/dbraw/zinc/10/70/52/883107052.db2.gz YBHKVMOEAIIZOX-CYBMUJFWSA-N 1 0 324.397 1.614 20 5 DDBDRO O=[N+]([O-])C[C@@H](OC[C@H]1C[C@@H]2CC[NH2+]C[C@@H]2O1)c1cccnc1 ZINC001217864566 877343686 /nfs/dbraw/zinc/34/36/86/877343686.db2.gz FVVKXQBUOVPJNH-PMOUVXMZSA-N 1 0 307.350 1.183 20 5 DDBDRO C[N@@H+]1CCCC[C@@H]1CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC001353890947 877633556 /nfs/dbraw/zinc/63/35/56/877633556.db2.gz AUHQEYQEAUPPBR-LLVKDONJSA-N 1 0 309.370 1.127 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)NC[C@@H]1C[NH+]2CCC1CC2 ZINC001472232342 877731145 /nfs/dbraw/zinc/73/11/45/877731145.db2.gz LWAIDLULYLBSID-CYBMUJFWSA-N 1 0 319.361 1.432 20 5 DDBDRO NC1(C(=O)Nc2cc3cccnc3c3ncccc23)CC[NH2+]CC1 ZINC001218980418 877850664 /nfs/dbraw/zinc/85/06/64/877850664.db2.gz XUSSHIOJWZOMNY-UHFFFAOYSA-N 1 0 321.384 1.802 20 5 DDBDRO [NH3+][C@H]1CN[C@H](C(=O)Nc2cc3cccnc3c3ncccc23)C1 ZINC001218980182 877851579 /nfs/dbraw/zinc/85/15/79/877851579.db2.gz VQGCPAUGKASTMW-RISCZKNCSA-N 1 0 307.357 1.411 20 5 DDBDRO CCn1c(C[N+](=O)[O-])nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001356349493 879008542 /nfs/dbraw/zinc/00/85/42/879008542.db2.gz SOWXDBVWQWFGOB-GFCCVEGCSA-N 1 0 308.386 1.139 20 5 DDBDRO C[C@H]([NH3+])[C@H]1CN(C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC001356532332 879090005 /nfs/dbraw/zinc/09/00/05/879090005.db2.gz JMIVGQNUJOKIOU-COPLHBTASA-N 1 0 322.365 1.413 20 5 DDBDRO CN(C)C1(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC001356610374 879129542 /nfs/dbraw/zinc/12/95/42/879129542.db2.gz ODVNKAUBGZCKII-LBPRGKRZSA-N 1 0 309.366 1.018 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc2c(c1)OCCC2=O ZINC001227743298 883153089 /nfs/dbraw/zinc/15/30/89/883153089.db2.gz KYGVJGWSQBUZQG-LLVKDONJSA-N 1 0 308.354 1.014 20 5 DDBDRO CO[C@@H]1CC[N@H+](CCOc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC001227743442 883153551 /nfs/dbraw/zinc/15/35/51/883153551.db2.gz PHWGAQKUSQBOTE-LLVKDONJSA-N 1 0 306.322 1.571 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1c(Cl)cccc1[N+](=O)[O-] ZINC001228003430 883279180 /nfs/dbraw/zinc/27/91/80/883279180.db2.gz XZNBICIPYFFQHT-SECBINFHSA-N 1 0 317.749 1.611 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cc(F)cc(F)c1[N+](=O)[O-] ZINC001228612954 883573502 /nfs/dbraw/zinc/57/35/02/883573502.db2.gz NDCLNMQNGGCVRH-SECBINFHSA-N 1 0 319.284 1.236 20 5 DDBDRO Cc1cc(O)c(O[C@@H]2C[C@@H]3CC(=O)C[C@H]2N3C)cc1[N+](=O)[O-] ZINC001229750723 884144554 /nfs/dbraw/zinc/14/45/54/884144554.db2.gz QRLDBRKPPJIUCY-MRCXROJRSA-N 1 0 306.318 1.792 20 5 DDBDRO CCOC(=O)C1=C(N[C@@H](C)Cc2ccc([N+](=O)[O-])cc2)C[NH2+]C1 ZINC001246352056 892559516 /nfs/dbraw/zinc/55/95/16/892559516.db2.gz RWRSJYQGQTYHBN-NSHDSACASA-N 1 0 319.361 1.536 20 5 DDBDRO [NH3+][C@@H]1C[C@H](F)CN(C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001246578596 892711529 /nfs/dbraw/zinc/71/15/29/892711529.db2.gz WCEMRVOFQFFUMG-QWHCGFSZSA-N 1 0 322.384 1.935 20 5 DDBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@H]2C[C@@]23CC[NH2+]C3)n1 ZINC001247930244 893483159 /nfs/dbraw/zinc/48/31/59/893483159.db2.gz ZTCXWRFAFYWITB-AMIZOPFISA-N 1 0 305.269 1.646 20 5 DDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CN(c2ncccn2)C1 ZINC001254543018 896496540 /nfs/dbraw/zinc/49/65/40/896496540.db2.gz RCCNFAONLDYRNB-LBPRGKRZSA-N 1 0 313.361 1.794 20 5 DDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])N(c1ncccn1)C1C[NH2+]C1 ZINC001254567561 896505652 /nfs/dbraw/zinc/50/56/52/896505652.db2.gz WVJNJQDZAWFAFB-LBPRGKRZSA-N 1 0 313.361 1.794 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]C1CCS(=O)(=O)CC1)C2 ZINC001254580532 896513389 /nfs/dbraw/zinc/51/33/89/896513389.db2.gz DNXWUDHMXKHMIB-ZDUSSCGKSA-N 1 0 310.375 1.229 20 5 DDBDRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254602837 896526494 /nfs/dbraw/zinc/52/64/94/896526494.db2.gz JDANSAISMCNIDG-CABCVRRESA-N 1 0 303.362 1.615 20 5 DDBDRO O=C1NCC2(CC[NH+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)CC2)O1 ZINC001254602825 896528739 /nfs/dbraw/zinc/52/87/39/896528739.db2.gz JCUWDAOECHEVNJ-AWEZNQCLSA-N 1 0 317.345 1.636 20 5 DDBDRO CC(C)C[NH2+]CC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001261489322 899604559 /nfs/dbraw/zinc/60/45/59/899604559.db2.gz RNORCHRITPSYDE-UHFFFAOYSA-N 1 0 320.393 1.489 20 5 DDBDRO Cc1nc(N2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)ncc1[N+](=O)[O-] ZINC001262377090 900138343 /nfs/dbraw/zinc/13/83/43/900138343.db2.gz LQWTTWOTCHUZSX-AVGNSLFASA-N 1 0 305.382 1.860 20 5 DDBDRO COc1cc(C(=O)N[C@@H]2CC[C@H]3C[N@H+](C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC001262826285 900387959 /nfs/dbraw/zinc/38/79/59/900387959.db2.gz GXWCKKDOLBDUGO-RWMBFGLXSA-N 1 0 319.361 1.673 20 5 DDBDRO O=C(c1cccc([N+](=O)[O-])c1)N1CCC2(CC1)C[NH2+]CCO2 ZINC001263223802 900540841 /nfs/dbraw/zinc/54/08/41/900540841.db2.gz SCTKLFDJXQLYJN-UHFFFAOYSA-N 1 0 305.334 1.189 20 5 DDBDRO O=C(CCNc1ccccc1[N+](=O)[O-])NC[C@@H]1CCC[NH2+]CC1 ZINC001263322951 900575173 /nfs/dbraw/zinc/57/51/73/900575173.db2.gz BLMQGGFFMIDUQY-CYBMUJFWSA-N 1 0 320.393 1.903 20 5 DDBDRO C[C@@H](CC[NH+]1CCCC1)OC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC001263659090 900664798 /nfs/dbraw/zinc/66/47/98/900664798.db2.gz DSOZVGYRXHRNOJ-LBPRGKRZSA-N 1 0 310.354 1.599 20 5 DDBDRO Cc1cccc(C[N@H+](C)CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC001265843268 902478325 /nfs/dbraw/zinc/47/83/25/902478325.db2.gz XWCDGPVBFWRLOE-HUUCEWRRSA-N 1 0 305.378 1.598 20 5 DDBDRO CNC(=O)CC[C@@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000286540062 219043697 /nfs/dbraw/zinc/04/36/97/219043697.db2.gz RUSARBMIQOVBKN-LBPRGKRZSA-N 1 0 309.370 1.172 20 5 DDBDRO CC[C@@H]1C[N@H+](CC)CCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000451730761 529389082 /nfs/dbraw/zinc/38/90/82/529389082.db2.gz PSYBRLHSJWFPSG-CQSZACIVSA-N 1 0 320.393 1.610 20 5 DDBDRO C[C@H]1C[N@H+](CCCNC(=O)c2ccc([N+](=O)[O-])o2)CCCO1 ZINC000278718884 214351293 /nfs/dbraw/zinc/35/12/93/214351293.db2.gz VVNGCPSVSQBWKN-NSHDSACASA-N 1 0 311.338 1.419 20 5 DDBDRO CN(C(=O)C[N@@H+]1CC[C@H](CCCO)C1)c1ccc([N+](=O)[O-])cc1 ZINC000452135376 231316110 /nfs/dbraw/zinc/31/61/10/231316110.db2.gz VVFWOKGIFOLPND-ZDUSSCGKSA-N 1 0 321.377 1.652 20 5 DDBDRO CCc1ccc(C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000293597427 529600618 /nfs/dbraw/zinc/60/06/18/529600618.db2.gz ZODHGGPGOGEIQQ-ZIAGYGMSSA-N 1 0 303.362 1.981 20 5 DDBDRO CC[C@H]([NH2+]C[C@@H](O)COCCOC)c1cccc([N+](=O)[O-])c1 ZINC000295006331 529612370 /nfs/dbraw/zinc/61/23/70/529612370.db2.gz OTMDUFWOXRYANU-CABCVRRESA-N 1 0 312.366 1.659 20 5 DDBDRO C[NH+]1CCC(CNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC1 ZINC000181309369 199280079 /nfs/dbraw/zinc/28/00/79/199280079.db2.gz UJKFKVWONJMUNT-UHFFFAOYSA-N 1 0 321.333 1.395 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CCN1CC[NH+](C2CCCC2)CC1 ZINC000090516903 185299824 /nfs/dbraw/zinc/29/98/24/185299824.db2.gz WOVFFQVLTLRVPP-UHFFFAOYSA-N 1 0 320.393 1.317 20 5 DDBDRO C[NH2+]C[C@@H](C)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000133230262 290680876 /nfs/dbraw/zinc/68/08/76/290680876.db2.gz MQWVCUWTFLWZFZ-SECBINFHSA-N 1 0 301.368 1.037 20 5 DDBDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000181429396 199295384 /nfs/dbraw/zinc/29/53/84/199295384.db2.gz SRQGFWFKLNRBLA-LLVKDONJSA-N 1 0 321.333 1.490 20 5 DDBDRO CN(C)c1ccccc1C[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000289153298 282300236 /nfs/dbraw/zinc/30/02/36/282300236.db2.gz ZUMYVQSIESHEKY-UHFFFAOYSA-N 1 0 303.366 1.989 20 5 DDBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@H]1CCN2CCO[C@H]1C2 ZINC000295296580 529933352 /nfs/dbraw/zinc/93/33/52/529933352.db2.gz FCELOYXKWKECTB-HOTGVXAUSA-N 1 0 305.378 1.542 20 5 DDBDRO C[NH+]1CCC(NC(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000492092616 530049705 /nfs/dbraw/zinc/04/97/05/530049705.db2.gz YHPKTFKLHDBMER-HYXAFXHYSA-N 1 0 307.325 1.958 20 5 DDBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCN1CCC1 ZINC000358340882 299125540 /nfs/dbraw/zinc/12/55/40/299125540.db2.gz MTHXMNRPFMLMIM-GFCCVEGCSA-N 1 0 306.366 1.607 20 5 DDBDRO COC(=O)c1cnc(N[C@H]2CC[N@H+](CC3CC3)C2)c([N+](=O)[O-])c1 ZINC000616369950 362664485 /nfs/dbraw/zinc/66/44/85/362664485.db2.gz DZZABXWMAGTHBS-LBPRGKRZSA-N 1 0 320.349 1.673 20 5 DDBDRO C[C@@H]1CN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)[C@H](C)C[NH2+]1 ZINC000272646692 210051128 /nfs/dbraw/zinc/05/11/28/210051128.db2.gz YLZWUTVXZBBIOA-NXEZZACHSA-N 1 0 311.313 1.322 20 5 DDBDRO CN(C(=O)Cc1ccc([N+](=O)[O-])cc1F)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000358468199 299163232 /nfs/dbraw/zinc/16/32/32/299163232.db2.gz QDBMKPGCJSPCBS-AWEZNQCLSA-N 1 0 321.352 1.972 20 5 DDBDRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)c2[nH]ncc2[N+](=O)[O-])C1 ZINC000138208969 186015194 /nfs/dbraw/zinc/01/51/94/186015194.db2.gz KZAPWKHISZXBMY-GHMZBOCLSA-N 1 0 323.397 1.804 20 5 DDBDRO CCc1n[nH]c(C(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)c1[N+](=O)[O-] ZINC000287100139 219312161 /nfs/dbraw/zinc/31/21/61/219312161.db2.gz LIENOEOBFRFOQW-CMPLNLGQSA-N 1 0 321.381 1.579 20 5 DDBDRO O=[N+]([O-])c1cnn(CCNc2cc(N3CCCCC3)ncn2)c1 ZINC000152548075 186083831 /nfs/dbraw/zinc/08/38/31/186083831.db2.gz BYZVUVYIUKSWQJ-UHFFFAOYSA-N 1 0 317.353 1.684 20 5 DDBDRO CO[C@H](C[NH3+])CC(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000262862885 186314995 /nfs/dbraw/zinc/31/49/95/186314995.db2.gz LMBMYDSUCYIUOQ-NSHDSACASA-N 1 0 315.757 1.570 20 5 DDBDRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000262871225 186316752 /nfs/dbraw/zinc/31/67/52/186316752.db2.gz VAVUPPDNPLLUPO-WFASDCNBSA-N 1 0 320.393 1.901 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCC2CC(F)(F)C2)c1 ZINC000564859610 304020248 /nfs/dbraw/zinc/02/02/48/304020248.db2.gz HKLILVDDEHXDFB-LLVKDONJSA-N 1 0 304.297 1.177 20 5 DDBDRO CC[NH+]1CCN(CC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000023991120 352186690 /nfs/dbraw/zinc/18/66/90/352186690.db2.gz KQYHZEXHVADOMY-UHFFFAOYSA-N 1 0 306.366 1.479 20 5 DDBDRO C[C@H]1CCC[N@H+](CCNC(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000046861373 352465787 /nfs/dbraw/zinc/46/57/87/352465787.db2.gz YPGYNEMXOCGEEF-ZDUSSCGKSA-N 1 0 305.378 1.985 20 5 DDBDRO Nc1ccc(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000047287022 352489626 /nfs/dbraw/zinc/48/96/26/352489626.db2.gz WHOKHPUMAZIVRA-CHWSQXEVSA-N 1 0 304.350 1.534 20 5 DDBDRO CC(=O)NCC1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000051856703 352595062 /nfs/dbraw/zinc/59/50/62/352595062.db2.gz FTJGHIVRNZTITF-UHFFFAOYSA-N 1 0 321.377 1.822 20 5 DDBDRO C[C@@H](CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)[N@H+](C)C1CC1 ZINC000057703841 352825027 /nfs/dbraw/zinc/82/50/27/352825027.db2.gz IQSFINHIQPVDEM-JTQLQIEISA-N 1 0 309.370 1.125 20 5 DDBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000057159504 352802426 /nfs/dbraw/zinc/80/24/26/352802426.db2.gz FHZDBNUAPGHFAN-GFCCVEGCSA-N 1 0 307.350 1.574 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000065901156 352968815 /nfs/dbraw/zinc/96/88/15/352968815.db2.gz MTUDMUZLDFRPJB-UHFFFAOYSA-N 1 0 323.397 1.336 20 5 DDBDRO CC(C)[N@@H+]1CCCN(C(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000068775798 353129504 /nfs/dbraw/zinc/12/95/04/353129504.db2.gz FPCMRHVMJNKONU-UHFFFAOYSA-N 1 0 320.393 1.949 20 5 DDBDRO C[NH+](C)C/C=C\C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000492032880 234365561 /nfs/dbraw/zinc/36/55/61/234365561.db2.gz POFLIYXITNJTAM-ARJAWSKDSA-N 1 0 305.334 1.302 20 5 DDBDRO C[NH+](C)[C@H](CNc1ncc([N+](=O)[O-])c(N)n1)c1cccc(F)c1 ZINC000076267194 353409484 /nfs/dbraw/zinc/40/94/84/353409484.db2.gz ZGVBEKSBSFIPJO-LLVKDONJSA-N 1 0 320.328 1.821 20 5 DDBDRO C[C@@H]1CN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000092456788 353857483 /nfs/dbraw/zinc/85/74/83/353857483.db2.gz FTPSGTWZCKELSU-GFCCVEGCSA-N 1 0 315.377 1.789 20 5 DDBDRO Nc1nc(-n2cccn2)cc(NCc2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000092891495 353874272 /nfs/dbraw/zinc/87/42/72/353874272.db2.gz NGORGECWVHHDIJ-UHFFFAOYSA-N 1 0 311.305 1.765 20 5 DDBDRO C[C@H](CNC(=O)NCc1cccc([N+](=O)[O-])c1)[N@H+](C)C1CC1 ZINC000105199271 353934147 /nfs/dbraw/zinc/93/41/47/353934147.db2.gz WERRSDFBIMWHMK-LLVKDONJSA-N 1 0 306.366 1.877 20 5 DDBDRO C[C@@H]1C[C@H]([NH3+])CCN1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000237434638 354342449 /nfs/dbraw/zinc/34/24/49/354342449.db2.gz JEKPYWUZNMERLC-ZYHUDNBSSA-N 1 0 313.379 1.236 20 5 DDBDRO C[C@H]1C[C@H]([NH3+])CCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000237635519 354345102 /nfs/dbraw/zinc/34/51/02/354345102.db2.gz DQSLDHJGNKSLBQ-JGVFFNPUSA-N 1 0 305.381 1.157 20 5 DDBDRO CC[C@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000251887470 354382574 /nfs/dbraw/zinc/38/25/74/354382574.db2.gz VSZWZMAESDDYCX-GXFFZTMASA-N 1 0 313.379 1.343 20 5 DDBDRO Cn1cc([C@@H](CO)[NH2+]CCCOc2ccc([N+](=O)[O-])cc2)cn1 ZINC000275139600 354411711 /nfs/dbraw/zinc/41/17/11/354411711.db2.gz DLQNAZTWUKRRJW-OAHLLOKOSA-N 1 0 320.349 1.420 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@H](C)C[C@H](C)[NH3+])c1C ZINC000320749364 354528893 /nfs/dbraw/zinc/52/88/93/354528893.db2.gz VULVMSUSFONYFG-VHSXEESVSA-N 1 0 315.395 1.616 20 5 DDBDRO CCc1ccc(C(=O)N[C@H](CO)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000588867147 354944600 /nfs/dbraw/zinc/94/46/00/354944600.db2.gz KFWSZGFSNNZQKH-AWEZNQCLSA-N 1 0 321.377 1.344 20 5 DDBDRO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000589574580 355002367 /nfs/dbraw/zinc/00/23/67/355002367.db2.gz BNBTUNTVSHIXCL-WDEREUQCSA-N 1 0 319.365 1.152 20 5 DDBDRO CN1C[C@H]2[C@@H](CC[N@@H+]2CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000590011971 355040045 /nfs/dbraw/zinc/04/00/45/355040045.db2.gz NSJXUWKXIVKKHC-BBRMVZONSA-N 1 0 305.378 2.000 20 5 DDBDRO COc1cc(C(=O)NC2CC([NH+](C)C)C2)cc([N+](=O)[O-])c1C ZINC000590355878 355075793 /nfs/dbraw/zinc/07/57/93/355075793.db2.gz JVPDTMINRAUSOQ-UHFFFAOYSA-N 1 0 307.350 1.734 20 5 DDBDRO CCOc1cc(C[N@H+](C)CCN2CCOCC2)ccc1[N+](=O)[O-] ZINC000276978014 213215341 /nfs/dbraw/zinc/21/53/41/213215341.db2.gz YAQGPVCTFIAJBN-UHFFFAOYSA-N 1 0 323.393 1.758 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000590548468 355111352 /nfs/dbraw/zinc/11/13/52/355111352.db2.gz FBVBGUNVRJWQIY-STQMWFEESA-N 1 0 319.361 1.184 20 5 DDBDRO C[C@@H](CCN1CC[NH+](C)CC1)Nc1ncc([N+](=O)[O-])cc1F ZINC000591155721 355256482 /nfs/dbraw/zinc/25/64/82/355256482.db2.gz GDPCIDJXORKKPF-NSHDSACASA-N 1 0 311.361 1.567 20 5 DDBDRO CCc1nn(C)c(N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC000591444698 355312583 /nfs/dbraw/zinc/31/25/83/355312583.db2.gz HDHMDHXEZBKTRF-NWDGAFQWSA-N 1 0 307.398 1.717 20 5 DDBDRO Cc1cc(N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)ncc1[N+](=O)[O-] ZINC000591443721 355312948 /nfs/dbraw/zinc/31/29/48/355312948.db2.gz SBVZDRZJCONJLS-DOMZBBRYSA-N 1 0 306.366 1.631 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000591448720 355314604 /nfs/dbraw/zinc/31/46/04/355314604.db2.gz OUEKGDCHTJMEOP-WFASDCNBSA-N 1 0 318.377 1.526 20 5 DDBDRO C[C@H]1C[C@@H](NCc2cc3c(cc2[N+](=O)[O-])OCCO3)CC[NH2+]1 ZINC000591278410 355276880 /nfs/dbraw/zinc/27/68/80/355276880.db2.gz ZEJUKCQGVSCWFB-JQWIXIFHSA-N 1 0 307.350 1.596 20 5 DDBDRO [NH3+]C1(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000591672313 355358377 /nfs/dbraw/zinc/35/83/77/355358377.db2.gz GTKATTDIEWSFEW-UHFFFAOYSA-N 1 0 307.350 1.751 20 5 DDBDRO CCCc1n[nH]c(C(=O)N2CC[C@H]([NH3+])[C@H](CC)C2)c1[N+](=O)[O-] ZINC000592332241 355561186 /nfs/dbraw/zinc/56/11/86/355561186.db2.gz IBHYNZFRMRFOPC-ZJUUUORDSA-N 1 0 309.370 1.470 20 5 DDBDRO COc1ccc(CC(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)cc1[N+](=O)[O-] ZINC000592248906 355547213 /nfs/dbraw/zinc/54/72/13/355547213.db2.gz WRMGYZFWYKFYCE-QWHCGFSZSA-N 1 0 319.361 1.356 20 5 DDBDRO [NH3+]C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000592294998 355553981 /nfs/dbraw/zinc/55/39/81/355553981.db2.gz PEZLUMRHWNOMSY-JTQLQIEISA-N 1 0 300.318 1.564 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@@H](O)C1CCC1 ZINC000592432740 355582783 /nfs/dbraw/zinc/58/27/83/355582783.db2.gz UQJLDWJYTIWONV-TZMCWYRMSA-N 1 0 310.350 1.085 20 5 DDBDRO COc1cc(OCc2nc([C@@H]3CCC[NH2+]3)no2)ccc1[N+](=O)[O-] ZINC000592357123 355566114 /nfs/dbraw/zinc/56/61/14/355566114.db2.gz QGZKZZFUNVIDRW-JTQLQIEISA-N 1 0 320.305 1.990 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000592398174 355574797 /nfs/dbraw/zinc/57/47/97/355574797.db2.gz QSMYXMVEWILAFX-MNOVXSKESA-N 1 0 315.395 1.616 20 5 DDBDRO C[NH2+]C[C@@H]1CCCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000592426826 355579304 /nfs/dbraw/zinc/57/93/04/355579304.db2.gz SUAYUJKPCWSVOR-LBPRGKRZSA-N 1 0 321.377 1.797 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[C@H]3C[N@H+](C)C[C@@H]32)c1 ZINC000593029328 355774635 /nfs/dbraw/zinc/77/46/35/355774635.db2.gz FFXPAVAPRACXDH-WFASDCNBSA-N 1 0 319.361 1.517 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)NCCC[N@H+](C)CC(C)C)n1 ZINC000593204579 355824026 /nfs/dbraw/zinc/82/40/26/355824026.db2.gz ZLAPVZYEHCCKGM-UHFFFAOYSA-N 1 0 311.386 1.519 20 5 DDBDRO COc1ccc(OCCN[C@]23CCC[C@@H]2C[NH2+]C3)c([N+](=O)[O-])c1 ZINC000601328772 358500210 /nfs/dbraw/zinc/50/02/10/358500210.db2.gz YRHONKPJRZOFDL-WBMJQRKESA-N 1 0 321.377 1.714 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000593917880 356059942 /nfs/dbraw/zinc/05/99/42/356059942.db2.gz ZLVCNNNXSCMACN-CMPLNLGQSA-N 1 0 309.370 1.076 20 5 DDBDRO CC[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCCCO1 ZINC000594045718 356097893 /nfs/dbraw/zinc/09/78/93/356097893.db2.gz YWTUVZCODHOIRH-HZSPNIEDSA-N 1 0 312.370 1.090 20 5 DDBDRO O=C([C@H]1C[C@@]12CCC[NH2+]C2)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000594445237 356219069 /nfs/dbraw/zinc/21/90/69/356219069.db2.gz IVPKVOAVSAXKPZ-CZUORRHYSA-N 1 0 316.361 1.264 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000594386204 356191824 /nfs/dbraw/zinc/19/18/24/356191824.db2.gz NJVPCUVXQUMGRC-QWHCGFSZSA-N 1 0 319.361 1.103 20 5 DDBDRO CCC(C)(C)[NH+]1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000594388793 356193887 /nfs/dbraw/zinc/19/38/87/356193887.db2.gz BFBOAIPUQVXMRE-UHFFFAOYSA-N 1 0 309.370 1.124 20 5 DDBDRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000594418786 356203739 /nfs/dbraw/zinc/20/37/39/356203739.db2.gz LAWMUTVBSARCJC-VXGBXAGGSA-N 1 0 320.349 1.442 20 5 DDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000594429959 356209713 /nfs/dbraw/zinc/20/97/13/356209713.db2.gz XCJGBVPLIXDTHE-BBRMVZONSA-N 1 0 303.362 1.943 20 5 DDBDRO O=[N+]([O-])c1ccc(Cn2cc(C[C@H]3CCC[NH2+]C3)nn2)cc1 ZINC000594649012 356273037 /nfs/dbraw/zinc/27/30/37/356273037.db2.gz AFRQQBOZKQWILJ-CYBMUJFWSA-N 1 0 301.350 1.777 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCc2c(nnn2C)C1 ZINC000594515596 356241526 /nfs/dbraw/zinc/24/15/26/356241526.db2.gz OFGNEWXUIVHGMW-GFCCVEGCSA-N 1 0 301.350 1.679 20 5 DDBDRO C[C@@H]1CCC[C@H](C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])O1 ZINC000594731945 356300585 /nfs/dbraw/zinc/30/05/85/356300585.db2.gz HGPOXHACBNUXKO-MGPQQGTHSA-N 1 0 324.377 1.882 20 5 DDBDRO Cn1cc(C[NH2+]C/C=C/CO)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000594976284 356367025 /nfs/dbraw/zinc/36/70/25/356367025.db2.gz YKDBAURWXQQEMZ-NSCUHMNNSA-N 1 0 302.334 1.633 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(C)CC(C)(C)[NH3+] ZINC000595116552 356384541 /nfs/dbraw/zinc/38/45/41/356384541.db2.gz RYRKBHSAPIXLHA-UHFFFAOYSA-N 1 0 301.368 1.261 20 5 DDBDRO Cc1noc(CN2CCN(c3cc[nH+]cc3)CC2)c1[N+](=O)[O-] ZINC000595344995 356457405 /nfs/dbraw/zinc/45/74/05/356457405.db2.gz BNEIZMWVOWDVKF-UHFFFAOYSA-N 1 0 303.322 1.608 20 5 DDBDRO CCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000595357113 356462945 /nfs/dbraw/zinc/46/29/45/356462945.db2.gz YNHHWJOUKPHQHY-LLVKDONJSA-N 1 0 313.379 1.357 20 5 DDBDRO C[C@H]([NH2+]CCN1C(=O)CN(C)C1=O)c1ccccc1[N+](=O)[O-] ZINC000595420406 356485328 /nfs/dbraw/zinc/48/53/28/356485328.db2.gz DHZWHFLQGLPDCJ-JTQLQIEISA-N 1 0 306.322 1.139 20 5 DDBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)Nc2cnccn2)cc1[N+](=O)[O-] ZINC000595420113 356485625 /nfs/dbraw/zinc/48/56/25/356485625.db2.gz NQCVXKCWZFHOHD-NSHDSACASA-N 1 0 315.333 1.983 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000595736344 356628294 /nfs/dbraw/zinc/62/82/94/356628294.db2.gz FAVGTCMYXPGLPT-RISCZKNCSA-N 1 0 319.361 1.704 20 5 DDBDRO Cn1cc(C[C@H]2CCC[C@H]2[NH2+]CCn2cc([N+](=O)[O-])cn2)cn1 ZINC000595771528 356646679 /nfs/dbraw/zinc/64/66/79/356646679.db2.gz QAIJCICMGBXZDJ-UKRRQHHQSA-N 1 0 318.381 1.526 20 5 DDBDRO CN(C(=O)C[NH2+][C@@H]1C[C@H](O)C12CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000595782210 356650932 /nfs/dbraw/zinc/65/09/32/356650932.db2.gz OPQDLZMFNXERAT-KGLIPLIRSA-N 1 0 319.361 1.451 20 5 DDBDRO CC[NH2+]Cc1ccccc1NC(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000237086095 202149063 /nfs/dbraw/zinc/14/90/63/202149063.db2.gz QESHZEOCHNOJMC-UHFFFAOYSA-N 1 0 317.349 1.999 20 5 DDBDRO [NH3+]C1(C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)CC2(CCC2)C1 ZINC000595955428 356722072 /nfs/dbraw/zinc/72/20/72/356722072.db2.gz YTVHXBROQGLKLR-UHFFFAOYSA-N 1 0 316.361 1.536 20 5 DDBDRO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595962366 356724975 /nfs/dbraw/zinc/72/49/75/356724975.db2.gz QFRISNACKFWPTP-GFCCVEGCSA-N 1 0 306.366 1.775 20 5 DDBDRO C[NH2+]C[C@H](C)NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000595985003 356736211 /nfs/dbraw/zinc/73/62/11/356736211.db2.gz ZOLTXELWEPQBNG-ZETCQYMHSA-N 1 0 316.155 1.695 20 5 DDBDRO CCOc1ccc(C(=O)NCC23CC(C2)C[NH2+]3)cc1[N+](=O)[O-] ZINC000595987271 356736723 /nfs/dbraw/zinc/73/67/23/356736723.db2.gz LCKHRXAVSYIKLO-UHFFFAOYSA-N 1 0 305.334 1.475 20 5 DDBDRO CO[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000276918303 213176237 /nfs/dbraw/zinc/17/62/37/213176237.db2.gz GUAZGTIKSYVVMT-UMVBOHGHSA-N 1 0 324.377 1.882 20 5 DDBDRO CC(C)C[NH2+]C1(CO)CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596253199 356833981 /nfs/dbraw/zinc/83/39/81/356833981.db2.gz AGPZRQFGNIJRDY-UHFFFAOYSA-N 1 0 324.381 1.272 20 5 DDBDRO CC[N@@H+]1CCCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)[C@@H](C)C1 ZINC000596268233 356839012 /nfs/dbraw/zinc/83/90/12/356839012.db2.gz GPYDAPKCOKBKQT-NSHDSACASA-N 1 0 306.366 1.614 20 5 DDBDRO Cc1cc(N2CCC([N@@H+]3CCCOCC3)CC2)ncc1[N+](=O)[O-] ZINC000596267907 356839038 /nfs/dbraw/zinc/83/90/38/356839038.db2.gz CEXQYMBJVGAFQU-UHFFFAOYSA-N 1 0 320.393 1.989 20 5 DDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000596537449 356910190 /nfs/dbraw/zinc/91/01/90/356910190.db2.gz GKYCPLREYSZHAI-CYBMUJFWSA-N 1 0 323.397 1.155 20 5 DDBDRO C[C@@]12COC[C@@H]1C[N@H+](Cc1cc3c(cc1[N+](=O)[O-])OCCO3)C2 ZINC000597209891 357094893 /nfs/dbraw/zinc/09/48/93/357094893.db2.gz FJOFLBIOCGYQFG-BLLLJJGKSA-N 1 0 320.345 1.834 20 5 DDBDRO COc1cccc(C(=O)NCC23CCC[NH+]2CCC3)c1[N+](=O)[O-] ZINC000597588777 357240182 /nfs/dbraw/zinc/24/01/82/357240182.db2.gz ORJOOQLSPTWWRI-UHFFFAOYSA-N 1 0 319.361 1.962 20 5 DDBDRO Cc1nn(C)c(C(=O)N2CCC[C@]3(CC[N@H+](C)C3)C2)c1[N+](=O)[O-] ZINC000597717022 357300088 /nfs/dbraw/zinc/30/00/88/357300088.db2.gz WJUGKYMVSQIDGF-OAHLLOKOSA-N 1 0 321.381 1.195 20 5 DDBDRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000597920397 357381954 /nfs/dbraw/zinc/38/19/54/357381954.db2.gz BEPWIOJUEBWBCR-LLVKDONJSA-N 1 0 323.397 1.515 20 5 DDBDRO CN(CC1C[NH+](C)C1)C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000598164702 357479615 /nfs/dbraw/zinc/47/96/15/357479615.db2.gz UYFVZDSBMSGLGL-UHFFFAOYSA-N 1 0 314.345 1.777 20 5 DDBDRO CCC[N@H+](C)CC(C)(C)NC(=O)c1[nH]nc(CC)c1[N+](=O)[O-] ZINC000598465719 357593120 /nfs/dbraw/zinc/59/31/20/357593120.db2.gz KBAMDTPTHVTUOG-UHFFFAOYSA-N 1 0 311.386 1.731 20 5 DDBDRO Cc1c(CC(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)cccc1[N+](=O)[O-] ZINC000598667767 357678279 /nfs/dbraw/zinc/67/82/79/357678279.db2.gz KCMZGHMDJDTUAA-CZUORRHYSA-N 1 0 303.362 1.786 20 5 DDBDRO COc1ccc(OCC[N@@H+]2CC[C@H](C)[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC000598647129 357669129 /nfs/dbraw/zinc/66/91/29/357669129.db2.gz BUTVSAKFMWVEFV-STQMWFEESA-N 1 0 324.377 1.933 20 5 DDBDRO Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[NH2+]2)c(C)c1[N+](=O)[O-] ZINC000598716813 357702221 /nfs/dbraw/zinc/70/22/21/357702221.db2.gz QSYHHDCYWICWQI-NSHDSACASA-N 1 0 313.379 1.242 20 5 DDBDRO Cc1ccc(S(=O)(=O)N(C)CC(C)(C)[NH3+])c(C)c1[N+](=O)[O-] ZINC000598720488 357703481 /nfs/dbraw/zinc/70/34/81/357703481.db2.gz NTODEDXDXZOFHE-UHFFFAOYSA-N 1 0 315.395 1.569 20 5 DDBDRO O=[N+]([O-])c1c2ccncc2ccc1N1CCN2CCOC[C@H]2C1 ZINC000599064848 357805870 /nfs/dbraw/zinc/80/58/70/357805870.db2.gz GCCASRPLBNQULM-CYBMUJFWSA-N 1 0 314.345 1.664 20 5 DDBDRO CC1(C)C[C@H]([NH2+]CCN2CC[C@H](O)C2)c2cc([N+](=O)[O-])ccc21 ZINC000599094847 357814387 /nfs/dbraw/zinc/81/43/87/357814387.db2.gz ZJDMZVLBZNWJNP-BBRMVZONSA-N 1 0 319.405 1.973 20 5 DDBDRO O=[N+]([O-])c1c(NCC[N@H+]2CC[C@H](O)C2)ccc2cnccc21 ZINC000599198914 357847964 /nfs/dbraw/zinc/84/79/64/357847964.db2.gz ATFBQXVQPDLBNZ-LBPRGKRZSA-N 1 0 302.334 1.622 20 5 DDBDRO CC(C)[N@@H+]1CCC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000347912971 283298370 /nfs/dbraw/zinc/29/83/70/283298370.db2.gz LTVHKPFURJYCIC-NSHDSACASA-N 1 0 306.366 1.780 20 5 DDBDRO COC(=O)CCCC[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000599438296 357936443 /nfs/dbraw/zinc/93/64/43/357936443.db2.gz UYVXJNXHYXPLER-UHFFFAOYSA-N 1 0 322.365 1.455 20 5 DDBDRO COC(=O)[C@@]1(OC)CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000599565999 357975387 /nfs/dbraw/zinc/97/53/87/357975387.db2.gz BBUPFEQEEALGLH-OAHLLOKOSA-N 1 0 324.333 1.238 20 5 DDBDRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000599586924 357983631 /nfs/dbraw/zinc/98/36/31/357983631.db2.gz BNZQSDHFHFDZLQ-WDEREUQCSA-N 1 0 308.338 1.865 20 5 DDBDRO C[NH2+]CCOCCNC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000599601389 357989185 /nfs/dbraw/zinc/98/91/85/357989185.db2.gz QVAKMZGSHVABRK-UHFFFAOYSA-N 1 0 310.354 1.569 20 5 DDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000599786085 358059021 /nfs/dbraw/zinc/05/90/21/358059021.db2.gz CTNWIRHOZSJZQP-ZDUSSCGKSA-N 1 0 322.365 1.345 20 5 DDBDRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000599896621 358076756 /nfs/dbraw/zinc/07/67/56/358076756.db2.gz LZZORYWCNIBPCC-CMPLNLGQSA-N 1 0 320.349 1.098 20 5 DDBDRO C[C@@H](NC(=O)NC1(C[NH3+])CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000599909748 358078651 /nfs/dbraw/zinc/07/86/51/358078651.db2.gz YVABLGPKBXYHLG-LLVKDONJSA-N 1 0 322.365 1.463 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)c1[N+](=O)[O-] ZINC000599998932 358100252 /nfs/dbraw/zinc/10/02/52/358100252.db2.gz BAYIWXKERQCKHV-GDGBQDQQSA-N 1 0 307.354 1.073 20 5 DDBDRO C[N@@H+]1CCCC[C@@H](CNC(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000600310436 358192347 /nfs/dbraw/zinc/19/23/47/358192347.db2.gz IWUVVGVINWMTPT-ZDUSSCGKSA-N 1 0 321.377 1.822 20 5 DDBDRO C[C@@H](C[NH3+])CNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000237374388 202248061 /nfs/dbraw/zinc/24/80/61/202248061.db2.gz HIUIEUPMOAIBHE-ZETCQYMHSA-N 1 0 316.155 1.682 20 5 DDBDRO CC(C)c1ccc(C(=O)NCC[N@@H+]2CC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000600534738 358250744 /nfs/dbraw/zinc/25/07/44/358250744.db2.gz OOJZQKWVUDNHGG-CYBMUJFWSA-N 1 0 321.377 1.515 20 5 DDBDRO CC(C)(C(=O)NCC[N@@H+]1CC[C@@H](O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000600535830 358250830 /nfs/dbraw/zinc/25/08/30/358250830.db2.gz SQXBMYOMFBZDNF-CQSZACIVSA-N 1 0 321.377 1.055 20 5 DDBDRO COc1ccc(C(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000237350792 202241512 /nfs/dbraw/zinc/24/15/12/202241512.db2.gz DRGHLVLRXMMYDH-PWSUYJOCSA-N 1 0 307.350 1.945 20 5 DDBDRO C[NH2+]CCOCCN(C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000600727336 358297640 /nfs/dbraw/zinc/29/76/40/358297640.db2.gz LKXSTCMFIINXQB-UHFFFAOYSA-N 1 0 308.338 1.404 20 5 DDBDRO NC(=O)c1cc([N+](=O)[O-])cnc1N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000301212220 283368156 /nfs/dbraw/zinc/36/81/56/283368156.db2.gz XLTXFZYIEXFZKO-SNVBAGLBSA-N 1 0 319.365 1.518 20 5 DDBDRO O=[N+]([O-])c1cc(F)cnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC000601104817 358404076 /nfs/dbraw/zinc/40/40/76/358404076.db2.gz IEINLTVTUUIICI-UHFFFAOYSA-N 1 0 324.356 1.678 20 5 DDBDRO C[C@H]1CCC[N@H+](CCNC(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000180931973 199228912 /nfs/dbraw/zinc/22/89/12/199228912.db2.gz GUSVYIBWFOXCSA-NSHDSACASA-N 1 0 306.366 1.639 20 5 DDBDRO C[NH+](C)C[C@](C)(O)CNc1ccnc2ccc([N+](=O)[O-])cc21 ZINC000601134275 358416045 /nfs/dbraw/zinc/41/60/45/358416045.db2.gz DRCGTYFMEYKDKE-OAHLLOKOSA-N 1 0 304.350 1.289 20 5 DDBDRO COc1cc(C[NH2+]CC[C@H](O)C(F)F)c([N+](=O)[O-])cc1OC ZINC000601147516 358421399 /nfs/dbraw/zinc/42/13/99/358421399.db2.gz QKKXZBZFJBUFDN-JTQLQIEISA-N 1 0 320.292 1.718 20 5 DDBDRO C[C@H](CNC(=O)c1c(F)cccc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000601166459 358429691 /nfs/dbraw/zinc/42/96/91/358429691.db2.gz OFLNHENUPUZMHT-LLVKDONJSA-N 1 0 324.356 1.100 20 5 DDBDRO O=[N+]([O-])c1cc(F)cnc1N1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000601173059 358433330 /nfs/dbraw/zinc/43/33/30/358433330.db2.gz PXHVKZIGYQNHEI-UHFFFAOYSA-N 1 0 324.356 1.460 20 5 DDBDRO C[C@](O)(C[C@@H](O)C[NH2+]CCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000601964696 358755956 /nfs/dbraw/zinc/75/59/56/358755956.db2.gz LNTDLACITWQJTD-CVEARBPZSA-N 1 0 308.378 1.639 20 5 DDBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CCCS(=O)(=O)CC2)cc1 ZINC000601998675 358771635 /nfs/dbraw/zinc/77/16/35/358771635.db2.gz IIUWOKNRBZTMFW-ZDUSSCGKSA-N 1 0 312.391 1.694 20 5 DDBDRO C[C@@H]1CN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@H]1C[NH3+] ZINC000602020449 358779509 /nfs/dbraw/zinc/77/95/09/358779509.db2.gz LEAAJRCUNYXXIX-ZYHUDNBSSA-N 1 0 307.350 1.393 20 5 DDBDRO C[C@@H](CN1CCOCC1)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602516287 359022088 /nfs/dbraw/zinc/02/20/88/359022088.db2.gz XQCHWEPPIQTNJR-NSHDSACASA-N 1 0 320.349 1.546 20 5 DDBDRO COc1ccc(CC(=O)N2CC[NH2+]C[C@@H]2C(C)C)cc1[N+](=O)[O-] ZINC000602530988 359030045 /nfs/dbraw/zinc/03/00/45/359030045.db2.gz UNJOTKKKRRWBDB-CQSZACIVSA-N 1 0 321.377 1.602 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC[C@@H]([NH+](C)C)C1 ZINC000287658463 219658340 /nfs/dbraw/zinc/65/83/40/219658340.db2.gz CJASBMFEJCGPFG-LLVKDONJSA-N 1 0 307.350 1.830 20 5 DDBDRO CCOc1ccc(C(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)cc1[N+](=O)[O-] ZINC000602555974 359043412 /nfs/dbraw/zinc/04/34/12/359043412.db2.gz SCINJNJFWPCFTJ-ZYHUDNBSSA-N 1 0 307.350 1.864 20 5 DDBDRO CO[C@@H]1C[NH2+][C@@](C)(C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000602463277 358994664 /nfs/dbraw/zinc/99/46/64/358994664.db2.gz ADALTRYFHHCLDP-DETPVDSQSA-N 1 0 321.377 1.847 20 5 DDBDRO Cn1cc(CN2CCC[C@@H]([NH+]3CCCC3)CC2)c([N+](=O)[O-])n1 ZINC000602476975 359004271 /nfs/dbraw/zinc/00/42/71/359004271.db2.gz HZXOIZQTYRGOSI-CQSZACIVSA-N 1 0 307.398 1.779 20 5 DDBDRO Cn1cc(CN2CCO[C@H]3C[C@H]([NH+](C)C)CC[C@H]32)c([N+](=O)[O-])n1 ZINC000602488146 359012301 /nfs/dbraw/zinc/01/23/01/359012301.db2.gz SKAOFMDZLPETNX-MCIONIFRSA-N 1 0 323.397 1.012 20 5 DDBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]CC1(CO)COC1 ZINC000602581700 359054557 /nfs/dbraw/zinc/05/45/57/359054557.db2.gz KIGKWWFHWDGCJS-UHFFFAOYSA-N 1 0 320.267 1.712 20 5 DDBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CCc3nnnn3CC2)cc1 ZINC000602693349 359129162 /nfs/dbraw/zinc/12/91/62/359129162.db2.gz GDXQFCSSZDAZMQ-LBPRGKRZSA-N 1 0 302.338 1.119 20 5 DDBDRO CC(C)(C[NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@]1(O)CCOC1 ZINC000602698762 359133837 /nfs/dbraw/zinc/13/38/37/359133837.db2.gz VNMSVLTYEXZYCS-INIZCTEOSA-N 1 0 308.378 1.905 20 5 DDBDRO Cc1ccc(C[NH+]2C[C@@]3(C)C(=O)NC(=O)[C@]3(C)C2)cc1[N+](=O)[O-] ZINC000602729680 359152673 /nfs/dbraw/zinc/15/26/73/359152673.db2.gz AZVKLXPMRINQKM-HOTGVXAUSA-N 1 0 317.345 1.388 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000602769909 359177912 /nfs/dbraw/zinc/17/79/12/359177912.db2.gz XIBOWZZJKUOYKO-GFCCVEGCSA-N 1 0 304.354 1.702 20 5 DDBDRO COC(=O)[C@@]1(C)CCC[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602843902 359232563 /nfs/dbraw/zinc/23/25/63/359232563.db2.gz LEGOTHFWKFPEIH-AWEZNQCLSA-N 1 0 310.354 1.375 20 5 DDBDRO O=[N+]([O-])c1ccccc1CN1CCN(Cc2nc[nH]n2)CC1 ZINC000602866032 359250101 /nfs/dbraw/zinc/25/01/01/359250101.db2.gz MPDVKXCMYWJTQK-UHFFFAOYSA-N 1 0 302.338 1.031 20 5 DDBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2c(C)cncc2[N+](=O)[O-])C1 ZINC000602953485 359319398 /nfs/dbraw/zinc/31/93/98/359319398.db2.gz AAARNFYUVUCFQK-LBPRGKRZSA-N 1 0 321.381 1.526 20 5 DDBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N(C)CC(=O)N1CCN(C)CC1 ZINC000602989708 359341916 /nfs/dbraw/zinc/34/19/16/359341916.db2.gz ZZPDNXDYWNKYMS-ZDUSSCGKSA-N 1 0 320.393 1.362 20 5 DDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)CC[N@H+](C)C1CC1 ZINC000186742902 200002520 /nfs/dbraw/zinc/00/25/20/200002520.db2.gz ZXRDWHAKFCYECK-GFCCVEGCSA-N 1 0 320.393 1.948 20 5 DDBDRO Cc1c(NC(=O)CC[N@@H+]2CC[C@H](O)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000186922084 200031358 /nfs/dbraw/zinc/03/13/58/200031358.db2.gz ROXWVCJZHQSACB-ABAIWWIYSA-N 1 0 321.377 1.935 20 5 DDBDRO Cc1nn(C)c(N2CCC([N@H+]3CCOC[C@@H]3C)CC2)c1[N+](=O)[O-] ZINC000603401246 359617245 /nfs/dbraw/zinc/61/72/45/359617245.db2.gz KLAPQGZBMONJCR-NSHDSACASA-N 1 0 323.397 1.326 20 5 DDBDRO C[C@@H]1COCC[N@@H+]1C1CCN(c2cccnc2[N+](=O)[O-])CC1 ZINC000603403710 359619827 /nfs/dbraw/zinc/61/98/27/359619827.db2.gz UHKRMGQBMLCXBK-GFCCVEGCSA-N 1 0 306.366 1.679 20 5 DDBDRO Cn1cc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c([N+](=O)[O-])n1 ZINC000603431402 359636323 /nfs/dbraw/zinc/63/63/23/359636323.db2.gz WTRWYUQXPPVKMW-UBHSHLNASA-N 1 0 323.397 1.047 20 5 DDBDRO C[NH+](C)CC1(NC(=O)COc2ccccc2[N+](=O)[O-])CCC1 ZINC000281068162 216057009 /nfs/dbraw/zinc/05/70/09/216057009.db2.gz MKQJTKSFSKTEIU-UHFFFAOYSA-N 1 0 307.350 1.574 20 5 DDBDRO C[N@@H+]1CCC[C@H](NC(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000604199322 359725190 /nfs/dbraw/zinc/72/51/90/359725190.db2.gz PRVKXRFVNBBYSD-LBPRGKRZSA-N 1 0 306.366 1.607 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000237575272 202288262 /nfs/dbraw/zinc/28/82/62/202288262.db2.gz ROAUHBJTBCPKLS-UHFFFAOYSA-N 1 0 321.381 1.090 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000565769845 304090570 /nfs/dbraw/zinc/09/05/70/304090570.db2.gz UNSUHDJTJUHSLZ-MRXNPFEDSA-N 1 0 319.361 1.819 20 5 DDBDRO C[N@@H+]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 ZINC000608985024 360256188 /nfs/dbraw/zinc/25/61/88/360256188.db2.gz HPJXELQTLJTQAA-JTQLQIEISA-N 1 0 321.333 1.190 20 5 DDBDRO O=[N+]([O-])c1ccc(C[NH2+]CCCN2CCCS2(=O)=O)cc1 ZINC000609223600 360274498 /nfs/dbraw/zinc/27/44/98/360274498.db2.gz LAFYQPVVQKXVRQ-UHFFFAOYSA-N 1 0 313.379 1.110 20 5 DDBDRO CC(C)(CO)[NH+]1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000609845815 360354970 /nfs/dbraw/zinc/35/49/70/360354970.db2.gz GWZLYDVJRBMLPC-UHFFFAOYSA-N 1 0 307.394 1.526 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000610489248 360449935 /nfs/dbraw/zinc/44/99/35/360449935.db2.gz SJSUTGJFUDTYNE-LBPRGKRZSA-N 1 0 309.370 1.019 20 5 DDBDRO CCOc1ccc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000610335994 360416147 /nfs/dbraw/zinc/41/61/47/360416147.db2.gz DMASQGNVNNLOQD-AWEZNQCLSA-N 1 0 320.349 1.341 20 5 DDBDRO C[C@@H]1CC[N@H+](CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000610409269 360429391 /nfs/dbraw/zinc/42/93/91/360429391.db2.gz FVPNIKMULIAKFE-LLVKDONJSA-N 1 0 313.379 1.215 20 5 DDBDRO C[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C[C@H](O)C1CC1 ZINC000610572867 360473290 /nfs/dbraw/zinc/47/32/90/360473290.db2.gz PCWYNLYEAVHLFY-HIFRSBDPSA-N 1 0 310.350 1.037 20 5 DDBDRO Cc1cc(N2C[C@H](O)C[C@H](O)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000611928077 360859428 /nfs/dbraw/zinc/85/94/28/360859428.db2.gz ISBUAKLMKRHOQH-TXEJJXNPSA-N 1 0 303.318 1.383 20 5 DDBDRO C[N@H+]1CC=C(CNC(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000271914669 209321471 /nfs/dbraw/zinc/32/14/71/209321471.db2.gz JHQLVIHFYRWFMI-UHFFFAOYSA-N 1 0 304.350 1.385 20 5 DDBDRO Cc1c(CC(=O)Nc2ccncc2N(C)C)cccc1[N+](=O)[O-] ZINC000612391653 360995980 /nfs/dbraw/zinc/99/59/80/360995980.db2.gz KKGJPMXOVOFEEU-UHFFFAOYSA-N 1 0 314.345 1.967 20 5 DDBDRO C[NH2+][C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000193329133 201030840 /nfs/dbraw/zinc/03/08/40/201030840.db2.gz IRWQYPPRXJWDJG-QMMMGPOBSA-N 1 0 305.381 1.029 20 5 DDBDRO [NH3+]C[C@H]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 ZINC000565932540 304104146 /nfs/dbraw/zinc/10/41/46/304104146.db2.gz YVXZWNSFLHPFIQ-VHSXEESVSA-N 1 0 321.333 1.223 20 5 DDBDRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000193588554 201079919 /nfs/dbraw/zinc/07/99/19/201079919.db2.gz TWBUGTSGXWWGMR-UFBFGSQYSA-N 1 0 308.294 1.373 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])c(N(C)CCCN2CC[NH+](C)CC2)n1 ZINC000359092701 299326010 /nfs/dbraw/zinc/32/60/10/299326010.db2.gz GOOGIPSJSIYTSW-UHFFFAOYSA-N 1 0 321.425 1.680 20 5 DDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000195137416 201346046 /nfs/dbraw/zinc/34/60/46/201346046.db2.gz WVVYAVBDDLMUEK-UHFFFAOYSA-N 1 0 304.350 1.345 20 5 DDBDRO C[C@@H](Cn1cccn1)[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000619743031 364138313 /nfs/dbraw/zinc/13/83/13/364138313.db2.gz SMIGJHWFPHXHAT-NSHDSACASA-N 1 0 318.333 1.741 20 5 DDBDRO Cc1ccc(S(=O)(=O)N(C)CC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000360500225 306983998 /nfs/dbraw/zinc/98/39/98/306983998.db2.gz KEKKZMSBDXYQFO-UHFFFAOYSA-N 1 0 301.368 1.085 20 5 DDBDRO C[C@@H]1OCC[C@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000349662358 284005337 /nfs/dbraw/zinc/00/53/37/284005337.db2.gz HWCNVQVKBNCMFJ-GXFFZTMASA-N 1 0 314.363 1.136 20 5 DDBDRO O=C(CCOc1ccccc1[N+](=O)[O-])NC[C@H]1CCC[NH2+]C1 ZINC000262509678 203313693 /nfs/dbraw/zinc/31/36/93/203313693.db2.gz KYSJPEUHLKHTOP-LBPRGKRZSA-N 1 0 307.350 1.480 20 5 DDBDRO COc1ccc(C(=O)N2CC[C@H](C)C[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000262460392 203301051 /nfs/dbraw/zinc/30/10/51/203301051.db2.gz IMNJONAADMCNRS-CMPLNLGQSA-N 1 0 307.350 1.803 20 5 DDBDRO COc1ccc(C(=O)N[C@H]2[C@@H](C)[NH2+]CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000262566857 203332679 /nfs/dbraw/zinc/33/26/79/203332679.db2.gz WVTJRCHRBBCENU-IMSIIYSGSA-N 1 0 307.350 1.720 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCN(CCOC)C1 ZINC000264603654 204022129 /nfs/dbraw/zinc/02/21/29/204022129.db2.gz NZPABKNCSPSSHY-CQSZACIVSA-N 1 0 323.393 1.804 20 5 DDBDRO C[N@@H+]1CC[C@@H](CNC(=O)COc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000264668539 204066774 /nfs/dbraw/zinc/06/67/74/204066774.db2.gz LDIQZHJEMARMMN-JTQLQIEISA-N 1 0 311.313 1.181 20 5 DDBDRO C[C@@H](Cn1cccn1)[NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000264836666 204194867 /nfs/dbraw/zinc/19/48/67/204194867.db2.gz FHIFJVCFYWSKBH-RYUDHWBXSA-N 1 0 317.349 1.797 20 5 DDBDRO CC[N@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])[C@@H]1CCNC1=O ZINC000282503884 217046186 /nfs/dbraw/zinc/04/61/86/217046186.db2.gz WXVLABGVGAVXFS-GFCCVEGCSA-N 1 0 323.349 1.193 20 5 DDBDRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000351251161 284312372 /nfs/dbraw/zinc/31/23/72/284312372.db2.gz GMOQIAAVRLPBOV-QWRGUYRKSA-N 1 0 321.381 1.565 20 5 DDBDRO CNC(=O)c1ccc(N2CC[C@@H]([NH+]3CC=CC3)C2)c([N+](=O)[O-])c1 ZINC000266206659 205183340 /nfs/dbraw/zinc/18/33/40/205183340.db2.gz FGBURIHPYPQFGD-CYBMUJFWSA-N 1 0 316.361 1.405 20 5 DDBDRO C[NH2+][C@@H]1CCN(C(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)C1 ZINC000160554765 197421925 /nfs/dbraw/zinc/42/19/25/197421925.db2.gz QOMPIPUBVWBILL-WDEREUQCSA-N 1 0 309.391 1.896 20 5 DDBDRO O=C(CC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])N1CCOCC1 ZINC000579494645 422780051 /nfs/dbraw/zinc/78/00/51/422780051.db2.gz VLTBMYIRZNIOOY-AWEZNQCLSA-N 1 0 319.361 1.421 20 5 DDBDRO C[NH2+]CCCNS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000036298068 182814376 /nfs/dbraw/zinc/81/43/76/182814376.db2.gz NKCHXVLUPKYLKO-UHFFFAOYSA-N 1 0 301.368 1.099 20 5 DDBDRO C[C@@H](CCC[NH3+])NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000336844128 249251525 /nfs/dbraw/zinc/25/15/25/249251525.db2.gz YLNQSCGKPWYFGX-JTQLQIEISA-N 1 0 301.368 1.142 20 5 DDBDRO Nc1c(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)cc(F)cc1[N+](=O)[O-] ZINC000336862216 249270209 /nfs/dbraw/zinc/27/02/09/249270209.db2.gz HPFDGBWIUVHNRN-VIFPVBQESA-N 1 0 308.313 1.283 20 5 DDBDRO CC(C)[C@@H](CCO)[NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000274072477 211328805 /nfs/dbraw/zinc/32/88/05/211328805.db2.gz RMMPREQZRSSLOF-NWDGAFQWSA-N 1 0 309.366 1.918 20 5 DDBDRO CC(C)[C@@H](CCO)[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000274061203 211318618 /nfs/dbraw/zinc/31/86/18/211318618.db2.gz QIYDQGMHJIIGJF-CQSZACIVSA-N 1 0 309.366 1.554 20 5 DDBDRO [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000567354081 304214313 /nfs/dbraw/zinc/21/43/13/304214313.db2.gz WLECINZEOHOZEZ-CYBMUJFWSA-N 1 0 300.318 1.621 20 5 DDBDRO C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)N1CCNC1=O ZINC000056197148 184007042 /nfs/dbraw/zinc/00/70/42/184007042.db2.gz CMFMHZIMMXZSSN-UWVGGRQHSA-N 1 0 306.322 1.186 20 5 DDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CCC[N@@H+]([C@@H](C)CO)CC1 ZINC000340859531 251247714 /nfs/dbraw/zinc/24/77/14/251247714.db2.gz AWDODEZJQVPUMY-NSHDSACASA-N 1 0 311.386 1.013 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000061605311 184177364 /nfs/dbraw/zinc/17/73/64/184177364.db2.gz BGYQKHPEGSXESA-UHFFFAOYSA-N 1 0 319.361 1.914 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@H](O)C[C@@H]1C ZINC000340907089 251268480 /nfs/dbraw/zinc/26/84/80/251268480.db2.gz LEQGREUCZROMJL-WCQYABFASA-N 1 0 307.350 1.687 20 5 DDBDRO C[C@@H]1C[C@H](NC(=O)NCc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000340948524 251296401 /nfs/dbraw/zinc/29/64/01/251296401.db2.gz CCDMCSCTGINSIM-DGCLKSJQSA-N 1 0 306.366 1.877 20 5 DDBDRO CC[C@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000341024826 251344284 /nfs/dbraw/zinc/34/42/84/251344284.db2.gz HZPCLTBPOYNTOT-SMDDNHRTSA-N 1 0 307.350 1.626 20 5 DDBDRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000341058943 251361132 /nfs/dbraw/zinc/36/11/32/251361132.db2.gz LQGPPCVYYBMZBX-STQMWFEESA-N 1 0 323.397 1.561 20 5 DDBDRO Cc1nn(C)c(C(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)c1[N+](=O)[O-] ZINC000341066154 251365029 /nfs/dbraw/zinc/36/50/29/251365029.db2.gz JNKQKMVXKGHYPJ-GHMZBOCLSA-N 1 0 323.397 1.629 20 5 DDBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000269200040 207320531 /nfs/dbraw/zinc/32/05/31/207320531.db2.gz XJADVCHYQOOCJJ-DPHCIQCQSA-N 1 0 301.346 1.961 20 5 DDBDRO CCCc1n[nH]c(C(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)c1[N+](=O)[O-] ZINC000269213847 207333264 /nfs/dbraw/zinc/33/32/64/207333264.db2.gz QFEGMSBOBUZNAP-ZJUUUORDSA-N 1 0 309.370 1.388 20 5 DDBDRO CC(C)[C@H]([NH3+])CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000269255034 207394367 /nfs/dbraw/zinc/39/43/67/207394367.db2.gz HJSDDXDKVMDSEX-GFCCVEGCSA-N 1 0 317.349 1.494 20 5 DDBDRO C[C@@H]([NH3+])[C@H](C)NC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000418713388 532990860 /nfs/dbraw/zinc/99/08/60/532990860.db2.gz XWZGUQWVMDQKJL-NEPJUHHUSA-N 1 0 321.381 1.162 20 5 DDBDRO C[NH2+][C@H](CC(C)(C)C)C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000423831689 533007533 /nfs/dbraw/zinc/00/75/33/533007533.db2.gz WMDNXTCBCWNMEF-CQSZACIVSA-N 1 0 320.393 1.899 20 5 DDBDRO CNc1nc(C(=O)N(C)CC[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000455422359 533074980 /nfs/dbraw/zinc/07/49/80/533074980.db2.gz MZIKHSOIANMNRO-UHFFFAOYSA-N 1 0 307.354 1.199 20 5 DDBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)[C@@H]1CCC[C@H]1O ZINC000286477881 219010531 /nfs/dbraw/zinc/01/05/31/219010531.db2.gz LDZFEUSGPDYADK-LERXQTSPSA-N 1 0 307.350 1.767 20 5 DDBDRO COc1ccc(OCC[N@H+](C)[C@@H]2CCC[C@@H]2O)c([N+](=O)[O-])c1 ZINC000352659519 285204175 /nfs/dbraw/zinc/20/41/75/285204175.db2.gz NQFRHLXOIABREJ-OCCSQVGLSA-N 1 0 310.350 1.827 20 5 DDBDRO C[C@@H]1CN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC000155076577 197020047 /nfs/dbraw/zinc/02/00/47/197020047.db2.gz DVDPGLJGVPYVPP-SNVBAGLBSA-N 1 0 304.350 1.603 20 5 DDBDRO CC[C@H]1[NH2+]CC[C@H]1C(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000289530325 221044453 /nfs/dbraw/zinc/04/44/53/221044453.db2.gz JEHUEUKPTFXCEX-CHWSQXEVSA-N 1 0 321.333 1.708 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NC1(C)CC[NH2+]CC1 ZINC000414647775 224367543 /nfs/dbraw/zinc/36/75/43/224367543.db2.gz AETAWZDPVHETSM-UHFFFAOYSA-N 1 0 308.338 1.867 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CC(O)(C2CC2)C2CC2)c1 ZINC001120495856 781984059 /nfs/dbraw/zinc/98/40/59/781984059.db2.gz UVFLHXXTSGDWKB-HNNXBMFYSA-N 1 0 306.362 1.769 20 5 DDBDRO CC[N@@H+]1CC[C@@H]2OCCN(c3nc(C)cc(C)c3[N+](=O)[O-])[C@@H]2C1 ZINC000338734767 285380888 /nfs/dbraw/zinc/38/08/88/285380888.db2.gz SZHZXKIUGRLADI-KGLIPLIRSA-N 1 0 320.393 1.906 20 5 DDBDRO C[C@@H]([NH2+][C@H]1COCC1(C)C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000451807302 533547650 /nfs/dbraw/zinc/54/76/50/533547650.db2.gz GPHIZSWFNGDIKB-MFKMUULPSA-N 1 0 307.350 1.936 20 5 DDBDRO COC(=O)COc1ccc(CN(C)C2CC([NH3+])C2)cc1[N+](=O)[O-] ZINC000414779481 533555813 /nfs/dbraw/zinc/55/58/13/533555813.db2.gz RIWAZNYBLROWJT-UHFFFAOYSA-N 1 0 323.349 1.068 20 5 DDBDRO C[C@H](NC(=O)NCC1=CC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000417128084 533635997 /nfs/dbraw/zinc/63/59/97/533635997.db2.gz HSXWIMPMWXJCMF-NSHDSACASA-N 1 0 304.350 1.875 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@@H](C)CCC[NH3+])c1C ZINC000336849065 291994713 /nfs/dbraw/zinc/99/47/13/291994713.db2.gz PGPNSKQMNSJUMO-JTQLQIEISA-N 1 0 315.395 1.617 20 5 DDBDRO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000353152359 285556798 /nfs/dbraw/zinc/55/67/98/285556798.db2.gz PPGZBKGVKMIZEU-KBPBESRZSA-N 1 0 306.366 1.511 20 5 DDBDRO CN(C(=O)c1ccc([N+](=O)[O-])c2cccnc12)[C@H]1CC[NH2+]C1 ZINC000568619623 304302100 /nfs/dbraw/zinc/30/21/00/304302100.db2.gz IAVYTALHZQCCLG-JTQLQIEISA-N 1 0 300.318 1.577 20 5 DDBDRO Cc1cc(S(=O)(=O)N[C@@H](C)[C@H](C)[NH3+])c(C)cc1[N+](=O)[O-] ZINC000568653800 304305050 /nfs/dbraw/zinc/30/50/50/304305050.db2.gz HVMVPKGCKBTAOF-UWVGGRQHSA-N 1 0 301.368 1.226 20 5 DDBDRO C[C@@H]1C[C@@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000569213799 304341588 /nfs/dbraw/zinc/34/15/88/304341588.db2.gz CXVBRHMUVBUCCF-DYEKYZERSA-N 1 0 310.350 1.492 20 5 DDBDRO COC(=O)c1cc(C(=O)N2CC[C@@](C)(C[NH3+])C2)cc([N+](=O)[O-])c1 ZINC000569360822 304351221 /nfs/dbraw/zinc/35/12/21/304351221.db2.gz UANLCVJHIIKZAT-HNNXBMFYSA-N 1 0 321.333 1.192 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000068203041 406623149 /nfs/dbraw/zinc/62/31/49/406623149.db2.gz UJBDVVJBXVMRNI-RYUDHWBXSA-N 1 0 323.397 1.336 20 5 DDBDRO C[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])s1)[N@H+](C)C1CC1 ZINC000069129050 406684611 /nfs/dbraw/zinc/68/46/11/406684611.db2.gz PHHAENCHRHGANF-MRVPVSSYSA-N 1 0 319.408 1.417 20 5 DDBDRO COCCOC[C@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000075953159 406947713 /nfs/dbraw/zinc/94/77/13/406947713.db2.gz QNUFABHOTHLJPT-AWEZNQCLSA-N 1 0 324.377 1.959 20 5 DDBDRO CS(=O)(=O)CCC[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000084440066 407089176 /nfs/dbraw/zinc/08/91/76/407089176.db2.gz RCOKREVEUVSGDD-UHFFFAOYSA-N 1 0 306.771 1.773 20 5 DDBDRO O=C(CC[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1)N1CCOCC1 ZINC000088605410 407121880 /nfs/dbraw/zinc/12/18/80/407121880.db2.gz NGJALMVQAGVMFM-UHFFFAOYSA-N 1 0 319.361 1.202 20 5 DDBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@]2(O)CCOC2)cc1[N+](=O)[O-] ZINC000090848826 407172870 /nfs/dbraw/zinc/17/28/70/407172870.db2.gz RCOFEKXDVKGTHT-NHYWBVRUSA-N 1 0 310.350 1.796 20 5 DDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C[C@@H]1CSCC[NH2+]1 ZINC000091136177 407179362 /nfs/dbraw/zinc/17/93/62/407179362.db2.gz QCQFFYBFMWHTSH-GFCCVEGCSA-N 1 0 309.391 1.648 20 5 DDBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000055407109 407203027 /nfs/dbraw/zinc/20/30/27/407203027.db2.gz ZRXVHYRLFMPWOJ-VXGBXAGGSA-N 1 0 309.370 1.028 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000124319656 407354822 /nfs/dbraw/zinc/35/48/22/407354822.db2.gz VTHTYBKRYNZQCH-DGCLKSJQSA-N 1 0 323.397 1.431 20 5 DDBDRO C[C@@H]1C[NH2+]CCN1C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000124502201 407359990 /nfs/dbraw/zinc/35/99/90/407359990.db2.gz YKKOTQKBKYUEEM-LLVKDONJSA-N 1 0 315.333 1.214 20 5 DDBDRO C[C@H]1CCC[N@H+](CCNC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000107632174 407377656 /nfs/dbraw/zinc/37/76/56/407377656.db2.gz NBTYALDRBNCRQO-ZDUSSCGKSA-N 1 0 321.377 1.822 20 5 DDBDRO C[N@@H+]1CCC[C@H](CNC(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000108340210 407384860 /nfs/dbraw/zinc/38/48/60/407384860.db2.gz FHKXVIWLIHAZIB-CYBMUJFWSA-N 1 0 320.393 1.855 20 5 DDBDRO CC(C)[NH+](CCCNC(=O)c1c([N+](=O)[O-])cnn1C)C(C)C ZINC000125510792 407390462 /nfs/dbraw/zinc/39/04/62/407390462.db2.gz XNRGJQLGBKPHDP-UHFFFAOYSA-N 1 0 311.386 1.567 20 5 DDBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH2+]C[C@@H]1C ZINC000126200208 407407655 /nfs/dbraw/zinc/40/76/55/407407655.db2.gz ANUZUVLFGFOMBW-QWRGUYRKSA-N 1 0 309.391 1.896 20 5 DDBDRO C[C@H]1C[NH2+]CCN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000126482497 407414649 /nfs/dbraw/zinc/41/46/49/407414649.db2.gz WJDXTAUPXOMHDK-LBPRGKRZSA-N 1 0 318.377 1.629 20 5 DDBDRO CCOC(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000185791376 407505270 /nfs/dbraw/zinc/50/52/70/407505270.db2.gz MWWXPQJDTBGFAM-LBPRGKRZSA-N 1 0 323.349 1.924 20 5 DDBDRO C[C@@H]([NH3+])C1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000178813095 407611752 /nfs/dbraw/zinc/61/17/52/407611752.db2.gz SPWHBWFJFFXNMH-GFCCVEGCSA-N 1 0 320.393 1.983 20 5 DDBDRO C[NH+](C)C[C@](C)(O)CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000152686075 407668701 /nfs/dbraw/zinc/66/87/01/407668701.db2.gz FNHBWOUICYABKV-CYBMUJFWSA-N 1 0 315.757 1.291 20 5 DDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000261921959 407671433 /nfs/dbraw/zinc/67/14/33/407671433.db2.gz RRDGVWQRYGJUDK-CQSZACIVSA-N 1 0 319.365 1.106 20 5 DDBDRO [NH3+]CC1(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CCOCC1 ZINC000262064066 407729253 /nfs/dbraw/zinc/72/92/53/407729253.db2.gz BCYZMOXVLOXEQA-UHFFFAOYSA-N 1 0 319.361 1.235 20 5 DDBDRO C[NH2+]C[C@H]1CCN(C(=O)c2cc(SC)ccc2[N+](=O)[O-])C1 ZINC000178996103 407686573 /nfs/dbraw/zinc/68/65/73/407686573.db2.gz WTDFQHMTCPHERK-SNVBAGLBSA-N 1 0 309.391 1.998 20 5 DDBDRO COC(=O)C[C@@H]1CCCN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000179123511 407727696 /nfs/dbraw/zinc/72/76/96/407727696.db2.gz FZCWSMFJJBTITO-NSHDSACASA-N 1 0 321.333 1.561 20 5 DDBDRO COc1ccc(NC(=O)CN2CCCC[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000153097279 407754810 /nfs/dbraw/zinc/75/48/10/407754810.db2.gz HRLPPNHEZOAPKQ-LLVKDONJSA-N 1 0 323.349 1.389 20 5 DDBDRO CO[C@H]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000262103537 407742422 /nfs/dbraw/zinc/74/24/22/407742422.db2.gz JBKSUNBUTJGWCK-STQMWFEESA-N 1 0 311.313 1.312 20 5 DDBDRO COC(=O)[C@@H]1CC12CC[NH+](CCn1ccc([N+](=O)[O-])n1)CC2 ZINC000267098762 407746003 /nfs/dbraw/zinc/74/60/03/407746003.db2.gz SRXHGUKFWSJMRP-NSHDSACASA-N 1 0 308.338 1.066 20 5 DDBDRO CC(C)C[C@](C)(C[NH3+])NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000236683560 407750059 /nfs/dbraw/zinc/75/00/59/407750059.db2.gz CMMOVRHIPSSAKO-OAHLLOKOSA-N 1 0 309.366 1.853 20 5 DDBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NCC[NH3+])CC1 ZINC000236731984 407763490 /nfs/dbraw/zinc/76/34/90/407763490.db2.gz IQKVDBOGSREBPL-UHFFFAOYSA-N 1 0 306.366 1.520 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NCC1([NH3+])CCCCC1 ZINC000237190441 407803661 /nfs/dbraw/zinc/80/36/61/407803661.db2.gz LKCKIJOMBMLLJG-UHFFFAOYSA-N 1 0 307.350 1.995 20 5 DDBDRO COCC1(C(=O)NCc2ccccc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000262426418 407832038 /nfs/dbraw/zinc/83/20/38/407832038.db2.gz FLAZYDONCHRDKM-UHFFFAOYSA-N 1 0 307.350 1.227 20 5 DDBDRO [NH3+]C[C@@H]1CCCN1C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000237975290 407859650 /nfs/dbraw/zinc/85/96/50/407859650.db2.gz HFTBLAUGDNYZES-AWEZNQCLSA-N 1 0 315.333 1.344 20 5 DDBDRO C[C@H]([NH2+]C[C@@H](O)COC1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000180406992 407886160 /nfs/dbraw/zinc/88/61/60/407886160.db2.gz WNUGVRXXYDAIKT-SWLSCSKDSA-N 1 0 324.377 1.802 20 5 DDBDRO O=C(C[C@H]1CSCC[NH2+]1)NCCNc1ccccc1[N+](=O)[O-] ZINC000238087236 407887867 /nfs/dbraw/zinc/88/78/67/407887867.db2.gz ZTXZDEPBQPXIJI-NSHDSACASA-N 1 0 324.406 1.218 20 5 DDBDRO CC[NH2+][C@H](C)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000262481561 407846228 /nfs/dbraw/zinc/84/62/28/407846228.db2.gz RPZMTPPZGGTENM-SECBINFHSA-N 1 0 301.368 1.180 20 5 DDBDRO [NH3+]C[C@H]1CCCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000237856418 407847949 /nfs/dbraw/zinc/84/79/49/407847949.db2.gz MDACJHRMJGLEAP-LLVKDONJSA-N 1 0 309.391 1.884 20 5 DDBDRO [NH3+]C[C@@H]1CCCCN1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000237861861 407848238 /nfs/dbraw/zinc/84/82/38/407848238.db2.gz CCMVWLVPUOVYGZ-ZDUSSCGKSA-N 1 0 313.379 1.238 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000181992865 408062983 /nfs/dbraw/zinc/06/29/83/408062983.db2.gz SEJHFPFMMJRKGZ-CJNGLKHVSA-N 1 0 322.361 1.447 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000119705984 408102204 /nfs/dbraw/zinc/10/22/04/408102204.db2.gz GPFDVGZTEISBTE-LLVKDONJSA-N 1 0 307.354 1.029 20 5 DDBDRO C[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](C)c1ccccc1 ZINC000246020807 408121667 /nfs/dbraw/zinc/12/16/67/408121667.db2.gz UXNABOXEBFOIOG-DVOMOZLQSA-N 1 0 318.377 1.934 20 5 DDBDRO C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000155144653 408130788 /nfs/dbraw/zinc/13/07/88/408130788.db2.gz JYARAQKLTALJQB-GHMZBOCLSA-N 1 0 309.341 1.827 20 5 DDBDRO C[C@@H]([NH2+][C@@H](C)C(=O)NC[C@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000246067349 408132652 /nfs/dbraw/zinc/13/26/52/408132652.db2.gz SBZVOMFDJUSLEN-TYNCELHUSA-N 1 0 321.377 1.929 20 5 DDBDRO COC(=O)c1cnc(NC[C@@H](C)Cn2ccnc2)c([N+](=O)[O-])c1 ZINC000190168771 408179349 /nfs/dbraw/zinc/17/93/49/408179349.db2.gz HGDQNNIDURRNNH-SNVBAGLBSA-N 1 0 319.321 1.721 20 5 DDBDRO COC(=O)[C@]1(C)CC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000246221500 408183033 /nfs/dbraw/zinc/18/30/33/408183033.db2.gz DPESEKAWIDKYPG-UKRRQHHQSA-N 1 0 308.334 1.513 20 5 DDBDRO C[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@@H]1CO ZINC000190429032 408242427 /nfs/dbraw/zinc/24/24/27/408242427.db2.gz HEWIKXRIRHGSRD-QMTHXVAHSA-N 1 0 308.334 1.664 20 5 DDBDRO C[NH2+]CCCNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000121390715 408199781 /nfs/dbraw/zinc/19/97/81/408199781.db2.gz WTKPVJNHCHAHJS-UHFFFAOYSA-N 1 0 303.322 1.120 20 5 DDBDRO O=[N+]([O-])c1ccn(CCN2CCC[N@@H+](C3CCCC3)CC2)n1 ZINC000176251200 408324231 /nfs/dbraw/zinc/32/42/31/408324231.db2.gz NFPOLQKJTDQRQM-UHFFFAOYSA-N 1 0 307.398 1.742 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)N2CCC[C@H]2C[NH+](C)C)c1[N+](=O)[O-] ZINC000269445292 408312617 /nfs/dbraw/zinc/31/26/17/408312617.db2.gz QIKWCFCULXJNDL-JTQLQIEISA-N 1 0 309.370 1.608 20 5 DDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1F)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000134141682 162071858 /nfs/dbraw/zinc/07/18/58/162071858.db2.gz ZNCDXYRYLWYEOQ-LLVKDONJSA-N 1 0 321.352 1.877 20 5 DDBDRO COC(=O)[C@H](O)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000135363739 162100644 /nfs/dbraw/zinc/10/06/44/162100644.db2.gz DRXGBNNSOGIQMW-CQSZACIVSA-N 1 0 308.334 1.341 20 5 DDBDRO C[C@@H]([NH3+])[C@@H](C)NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000420450059 286916525 /nfs/dbraw/zinc/91/65/25/286916525.db2.gz XZMJJAJLIZMBDC-RNFRBKRXSA-N 1 0 307.759 1.262 20 5 DDBDRO Cc1c(C(=O)N(C)CC[NH+](C)C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000176389734 408354489 /nfs/dbraw/zinc/35/44/89/408354489.db2.gz DTCGKQMQKCBHNP-UHFFFAOYSA-N 1 0 324.337 1.753 20 5 DDBDRO CC(C)(O)C[NH+]1CCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000171671179 162234292 /nfs/dbraw/zinc/23/42/92/162234292.db2.gz BSQIBZNDFLYUAE-UHFFFAOYSA-N 1 0 311.357 1.622 20 5 DDBDRO CC[N@H+](C)C[C@H]1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269629457 408368237 /nfs/dbraw/zinc/36/82/37/408368237.db2.gz FAGUJVBMSMTZCX-CZUORRHYSA-N 1 0 307.394 1.902 20 5 DDBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159440546 408407703 /nfs/dbraw/zinc/40/77/03/408407703.db2.gz GZPJJPHDQREAQC-OKILXGFUSA-N 1 0 303.362 1.880 20 5 DDBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000247225082 408433744 /nfs/dbraw/zinc/43/37/44/408433744.db2.gz VXMYHPBLYAPWAB-CMPLNLGQSA-N 1 0 313.379 1.279 20 5 DDBDRO C[C@H]1C[C@H](NC(=O)CNc2ccccc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000177033673 408502945 /nfs/dbraw/zinc/50/29/45/408502945.db2.gz SMCLSNVZAAOGAC-RYUDHWBXSA-N 1 0 318.377 1.748 20 5 DDBDRO CC[N@H+](CCO)CCNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000183963755 408519645 /nfs/dbraw/zinc/51/96/45/408519645.db2.gz QRWPKBDTKIRICS-UHFFFAOYSA-N 1 0 315.757 1.292 20 5 DDBDRO C[C@H]1C[C@@H](NC(=O)Cc2ccccc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000177128949 408526906 /nfs/dbraw/zinc/52/69/06/408526906.db2.gz KQFOATOKPVTRCR-WCQYABFASA-N 1 0 303.362 1.879 20 5 DDBDRO COc1ccc(C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000177130323 408527147 /nfs/dbraw/zinc/52/71/47/408527147.db2.gz DECHSJVQDGHIHW-ZYHUDNBSSA-N 1 0 319.361 1.958 20 5 DDBDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000176890349 408465841 /nfs/dbraw/zinc/46/58/41/408465841.db2.gz DSYXFUYWMWOKPX-AWEZNQCLSA-N 1 0 309.366 1.681 20 5 DDBDRO CC[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C[C@H](C)O ZINC000247438234 408471324 /nfs/dbraw/zinc/47/13/24/408471324.db2.gz ZLMUXWNHUOOKLZ-DZGCQCFKSA-N 1 0 307.394 1.872 20 5 DDBDRO CS[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)C[C@H]1[NH+](C)C ZINC000270533929 408566477 /nfs/dbraw/zinc/56/64/77/408566477.db2.gz VXJKFLUFXKVOHZ-OLZOCXBDSA-N 1 0 309.391 1.712 20 5 DDBDRO COc1cccc(C(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000192690337 408631436 /nfs/dbraw/zinc/63/14/36/408631436.db2.gz CVCKGRKQBODRJU-MNOVXSKESA-N 1 0 319.361 1.958 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000177556667 408657947 /nfs/dbraw/zinc/65/79/47/408657947.db2.gz QNFDTHMXUSLCRB-NEPJUHHUSA-N 1 0 306.366 1.901 20 5 DDBDRO CCC[NH+](CCC)CCCNC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000184314921 162888227 /nfs/dbraw/zinc/88/82/27/162888227.db2.gz BDZNDMBEADREKI-UHFFFAOYSA-N 1 0 323.397 1.814 20 5 DDBDRO C[C@H](C(=O)N1CC[C@H]([NH+](C)C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000185181818 408775994 /nfs/dbraw/zinc/77/59/94/408775994.db2.gz JKVPEECIOBHJNJ-JQWIXIFHSA-N 1 0 309.341 2.000 20 5 DDBDRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)Cc3ccc([N+](=O)[O-])cc3Cl)C[C@@H]12 ZINC000185195771 408778113 /nfs/dbraw/zinc/77/81/13/408778113.db2.gz BCFCMYZCXMFWNT-ZKYQVNSYSA-N 1 0 323.780 1.986 20 5 DDBDRO C[N@@H+]1CCC[C@@H]1C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000276162943 408823711 /nfs/dbraw/zinc/82/37/11/408823711.db2.gz FXMPRLCWSKZARL-CQSZACIVSA-N 1 0 305.334 1.279 20 5 DDBDRO COc1ccc(CNC(=O)[C@]23CCC[C@@H]2C[NH2+]C3)cc1[N+](=O)[O-] ZINC000280943471 408864052 /nfs/dbraw/zinc/86/40/52/408864052.db2.gz WLSUQDLOOOMXBP-WBMJQRKESA-N 1 0 319.361 1.609 20 5 DDBDRO C[NH+](C)CC1(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000281447614 408886421 /nfs/dbraw/zinc/88/64/21/408886421.db2.gz HQAUQSNWKMRDCY-UHFFFAOYSA-N 1 0 313.379 1.357 20 5 DDBDRO C[NH+](C)CCOCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000226265621 163335574 /nfs/dbraw/zinc/33/55/74/163335574.db2.gz CUQDUBIACQWDBC-UHFFFAOYSA-N 1 0 315.757 1.556 20 5 DDBDRO CCc1n[nH]c(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000277690968 408993525 /nfs/dbraw/zinc/99/35/25/408993525.db2.gz KJIPTQYKDIIJQM-WDEREUQCSA-N 1 0 307.354 1.237 20 5 DDBDRO Cc1c(C(=O)N[C@@H](C)C[NH+](C)C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000287309182 409017530 /nfs/dbraw/zinc/01/75/30/409017530.db2.gz WCCNUTMUVSSOSQ-QMMMGPOBSA-N 1 0 310.310 1.491 20 5 DDBDRO CCOc1cc(C[NH2+][C@@H]2C(=O)NCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000282308550 409031261 /nfs/dbraw/zinc/03/12/61/409031261.db2.gz KGNFGUIPEMCJKM-YGRLFVJLSA-N 1 0 307.350 1.608 20 5 DDBDRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000293999176 409223345 /nfs/dbraw/zinc/22/33/45/409223345.db2.gz XEPFMWCKHRBWAD-LSDHHAIUSA-N 1 0 319.361 1.530 20 5 DDBDRO CO[C@@]1(C)CCC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000279391107 409204944 /nfs/dbraw/zinc/20/49/44/409204944.db2.gz UHCKQMIWIBKABR-BBRMVZONSA-N 1 0 324.377 1.835 20 5 DDBDRO C[C@@H](CCC[NH3+])NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000295176239 409357390 /nfs/dbraw/zinc/35/73/90/409357390.db2.gz GVQUYYJQUXWJQM-JTQLQIEISA-N 1 0 318.337 1.033 20 5 DDBDRO C[N@@H+]1CCO[C@@H]2CCN(c3ncc([N+](=O)[O-])cc3Cl)C[C@H]21 ZINC000284414808 409342591 /nfs/dbraw/zinc/34/25/91/409342591.db2.gz BUPBFPSAYNBTBK-VXGBXAGGSA-N 1 0 312.757 1.553 20 5 DDBDRO CN(Cc1c(F)cc([N+](=O)[O-])cc1F)CC1(O)CCOCC1 ZINC000285475667 409458550 /nfs/dbraw/zinc/45/85/50/409458550.db2.gz ZWBUYFUVVRDBTK-UHFFFAOYSA-N 1 0 316.304 1.846 20 5 DDBDRO C[C@H]1CN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC[N@@H+](C2CC2)C1 ZINC000295273009 409410147 /nfs/dbraw/zinc/41/01/47/409410147.db2.gz GZDQYZMAITWICJ-LLVKDONJSA-N 1 0 318.377 1.733 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCO[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000285393352 409427589 /nfs/dbraw/zinc/42/75/89/409427589.db2.gz XGDODKWQKXMXBR-KGLIPLIRSA-N 1 0 319.361 1.448 20 5 DDBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1[nH]nc(CC)c1[N+](=O)[O-] ZINC000290551279 409440993 /nfs/dbraw/zinc/44/09/93/409440993.db2.gz JIKXOYHHIUNNNK-SNVBAGLBSA-N 1 0 311.386 1.731 20 5 DDBDRO C[N@@H+]1CC[C@H]2OCCN(C(=O)c3ccc(F)cc3[N+](=O)[O-])[C@H]2C1 ZINC000408056061 164211485 /nfs/dbraw/zinc/21/14/85/164211485.db2.gz CIYUCHIIYSYRMJ-UONOGXRCSA-N 1 0 323.324 1.279 20 5 DDBDRO CO[C@H](C)CN(C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000285554524 409487064 /nfs/dbraw/zinc/48/70/64/409487064.db2.gz GRTBLGXOKCSKQB-LLVKDONJSA-N 1 0 307.350 1.451 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000408356039 164305925 /nfs/dbraw/zinc/30/59/25/164305925.db2.gz CILDJYWDWGQISW-CQSZACIVSA-N 1 0 306.366 1.710 20 5 DDBDRO C[N@@H+]1CCC[C@H]1C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000408371887 164310609 /nfs/dbraw/zinc/31/06/09/164310609.db2.gz FXHIXPCNCAHPPI-LBPRGKRZSA-N 1 0 307.354 1.049 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@@H]2C2CCOCC2)c1 ZINC000348946815 409603115 /nfs/dbraw/zinc/60/31/15/409603115.db2.gz HLNCJNFAGKKWQM-LSDHHAIUSA-N 1 0 324.381 1.043 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000342471210 409659485 /nfs/dbraw/zinc/65/94/85/409659485.db2.gz WUPHNLZKBSKSRV-QMTHXVAHSA-N 1 0 319.361 1.816 20 5 DDBDRO Cn1nccc1C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000331583368 409661683 /nfs/dbraw/zinc/66/16/83/409661683.db2.gz JXSPGIIVHCIEDI-OLZOCXBDSA-N 1 0 304.354 1.798 20 5 DDBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000342474128 409663105 /nfs/dbraw/zinc/66/31/05/409663105.db2.gz NKYCPKNBIQTKAA-YMTOWFKASA-N 1 0 307.325 1.946 20 5 DDBDRO COC[C@@H](C)OC[C@H](O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296870134 409680880 /nfs/dbraw/zinc/68/08/80/409680880.db2.gz ZMVNOKNCWLRJBS-TYNCELHUSA-N 1 0 312.366 1.658 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](CC[NH3+])C(F)(F)F)c1 ZINC000307826390 409780852 /nfs/dbraw/zinc/78/08/52/409780852.db2.gz VMEWPJBNEJZLLV-SNVBAGLBSA-N 1 0 305.256 1.913 20 5 DDBDRO C[C@@H]1[C@H](C)N(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000357005053 409783894 /nfs/dbraw/zinc/78/38/94/409783894.db2.gz QQQNWFUNWPLTET-VNHYZAJKSA-N 1 0 323.393 1.359 20 5 DDBDRO C[C@@H]1[C@H](C)N(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000357005084 409786346 /nfs/dbraw/zinc/78/63/46/409786346.db2.gz QVOWUVYVELQHLJ-OLZOCXBDSA-N 1 0 320.393 1.582 20 5 DDBDRO COc1cc(C[N@@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)c([N+](=O)[O-])cc1OC ZINC000346319631 409914347 /nfs/dbraw/zinc/91/43/47/409914347.db2.gz CMGLOKKIDHYPHZ-SUHUHFCYSA-N 1 0 322.361 1.815 20 5 DDBDRO COc1cc(C[N@@H+]2C[C@@H]3CC[C@@H](O)[C@H]3C2)c([N+](=O)[O-])cc1OC ZINC000346319632 409914497 /nfs/dbraw/zinc/91/44/97/409914497.db2.gz CMGLOKKIDHYPHZ-VHRBIJSZSA-N 1 0 322.361 1.815 20 5 DDBDRO O=[N+]([O-])c1ccc2oc(CN3CC[C@@H]4C[NH2+]C[C@H]4C3)nc2c1 ZINC000357092309 409865445 /nfs/dbraw/zinc/86/54/45/409865445.db2.gz ULSOGNAPAMZSAT-MNOVXSKESA-N 1 0 302.334 1.777 20 5 DDBDRO C[C@H]1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])[C@@H](C)[C@H]1[NH3+] ZINC000297272574 409887099 /nfs/dbraw/zinc/88/70/99/409887099.db2.gz ATCORCNYMBUZNS-MKBNYLNASA-N 1 0 320.393 1.981 20 5 DDBDRO C[C@@H](O)CNc1cc(NCCc2ccc([N+](=O)[O-])cc2)ncn1 ZINC000298262792 410157832 /nfs/dbraw/zinc/15/78/32/410157832.db2.gz ONYJCLBMEHYTMU-LLVKDONJSA-N 1 0 317.349 1.832 20 5 DDBDRO COc1ccc(NC(=O)CN2CC[C@@H]([C@@H](C)[NH3+])C2)c([N+](=O)[O-])c1 ZINC000351857646 410293078 /nfs/dbraw/zinc/29/30/78/410293078.db2.gz YBZKNPDZOGMOPK-GHMZBOCLSA-N 1 0 322.365 1.211 20 5 DDBDRO CN(c1cccc(C(N)=O)c1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000343352236 410383188 /nfs/dbraw/zinc/38/31/88/410383188.db2.gz GOBRSBBCLUGEKO-FOSCPWQOSA-N 1 0 318.377 1.755 20 5 DDBDRO CC[NH+](CC)C[C@@H](C)NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000347238767 410412684 /nfs/dbraw/zinc/41/26/84/410412684.db2.gz BBFVUDKDWVMGPK-GFCCVEGCSA-N 1 0 309.366 1.820 20 5 DDBDRO CC[NH+](CC)C[C@H](C)NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000347238769 410413035 /nfs/dbraw/zinc/41/30/35/410413035.db2.gz BBFVUDKDWVMGPK-LBPRGKRZSA-N 1 0 309.366 1.820 20 5 DDBDRO O=[N+]([O-])c1ccc(OCC[NH+]2CCC(OCCO)CC2)cc1 ZINC000339781860 410455591 /nfs/dbraw/zinc/45/55/91/410455591.db2.gz NAEQABUOBFVLRN-UHFFFAOYSA-N 1 0 310.350 1.447 20 5 DDBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)NC[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000299040727 410494967 /nfs/dbraw/zinc/49/49/67/410494967.db2.gz RTCOVBZMDGUIAL-OCCSQVGLSA-N 1 0 321.377 1.849 20 5 DDBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC[NH+](C[C@H](C)O)CC1 ZINC000347364611 410498677 /nfs/dbraw/zinc/49/86/77/410498677.db2.gz BWSPQGYBANTEDV-IPJDOKCGSA-N 1 0 319.405 1.997 20 5 DDBDRO Cn1nncc1C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000352599016 410671073 /nfs/dbraw/zinc/67/10/73/410671073.db2.gz XDNONBZCJCEUSE-VXGBXAGGSA-N 1 0 305.342 1.193 20 5 DDBDRO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCSC[C@@H]2CO)cc1 ZINC000343725319 410651191 /nfs/dbraw/zinc/65/11/91/410651191.db2.gz NWWZVPQGYKALIR-ZDUSSCGKSA-N 1 0 312.391 1.773 20 5 DDBDRO C[C@@H]1[C@@H](NC(=O)NCCc2ccccc2[N+](=O)[O-])CCC[N@@H+]1C ZINC000343851580 410746114 /nfs/dbraw/zinc/74/61/14/410746114.db2.gz DMPRQEQLFFAHNJ-OCCSQVGLSA-N 1 0 320.393 1.919 20 5 DDBDRO CNC(=O)c1ccc(N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000301430491 410720151 /nfs/dbraw/zinc/72/01/51/410720151.db2.gz QEUQLFADGMXJQH-AAEUAGOBSA-N 1 0 320.393 1.873 20 5 DDBDRO CC[NH+](CC)CC1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000330529034 410750709 /nfs/dbraw/zinc/75/07/09/410750709.db2.gz MGQGJIYMAINXNB-UHFFFAOYSA-N 1 0 309.370 1.512 20 5 DDBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1[nH]nc(CC)c1[N+](=O)[O-] ZINC000359773408 410870160 /nfs/dbraw/zinc/87/01/60/410870160.db2.gz ISMVSVWKQFPJLN-JTQLQIEISA-N 1 0 311.386 1.731 20 5 DDBDRO Cc1ccc([C@H](C)NC(=O)NCC[NH+]2CCC2)cc1[N+](=O)[O-] ZINC000337661071 410925231 /nfs/dbraw/zinc/92/52/31/410925231.db2.gz QJPLWCBEUWVFOX-LBPRGKRZSA-N 1 0 306.366 1.969 20 5 DDBDRO Cn1nc([N+](=O)[O-])cc1C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000356473243 411048819 /nfs/dbraw/zinc/04/88/19/411048819.db2.gz DCQZQWFHEOJJFE-CYBMUJFWSA-N 1 0 317.349 1.361 20 5 DDBDRO C[N@H+](CC1(O)CCC1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000353487221 411022938 /nfs/dbraw/zinc/02/29/38/411022938.db2.gz DERCZLFKKIWACE-AWEZNQCLSA-N 1 0 319.361 1.547 20 5 DDBDRO COc1ccc(NC(=O)[C@H](C)N(C)C2CC(O)C2)c([N+](=O)[O-])c1 ZINC000353486022 411023573 /nfs/dbraw/zinc/02/35/73/411023573.db2.gz WDZXCXDZNJVFJL-WHXUTIOJSA-N 1 0 323.349 1.386 20 5 DDBDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cc([N+](=O)[O-])nn2C)C1 ZINC000356448571 411037007 /nfs/dbraw/zinc/03/70/07/411037007.db2.gz RVVFLJZOBNDURV-LLVKDONJSA-N 1 0 323.397 1.569 20 5 DDBDRO CC[N@@H+]1CCCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC1 ZINC000331435067 411089171 /nfs/dbraw/zinc/08/91/71/411089171.db2.gz JLZJGEJIBFFVQJ-UHFFFAOYSA-N 1 0 309.370 1.081 20 5 DDBDRO Cc1c(C(=O)NCC[NH+](C)C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000131259172 196154102 /nfs/dbraw/zinc/15/41/02/196154102.db2.gz GNHPYKCJAAMJHB-UHFFFAOYSA-N 1 0 310.310 1.411 20 5 DDBDRO CC[NH+]1CCN(CCNC(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000132519131 196262861 /nfs/dbraw/zinc/26/28/61/196262861.db2.gz CWOMXMHCSYZSKA-UHFFFAOYSA-N 1 0 324.356 1.101 20 5 DDBDRO C[NH2+][C@@H]1CCCN(C(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000133755726 196334310 /nfs/dbraw/zinc/33/43/10/196334310.db2.gz CEZDGVFKNNRURY-GFCCVEGCSA-N 1 0 307.350 1.574 20 5 DDBDRO Cc1c(NC(=O)C(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)cccc1[N+](=O)[O-] ZINC000415582531 224660207 /nfs/dbraw/zinc/66/02/07/224660207.db2.gz UNHUAYQTDAMERJ-WDEREUQCSA-N 1 0 320.349 1.037 20 5 DDBDRO O=C(N[C@H]1CCC[N@@H+](CCCO)C1)c1csc([N+](=O)[O-])c1 ZINC000295306890 224692847 /nfs/dbraw/zinc/69/28/47/224692847.db2.gz BNKRSGXQZUQOBM-NSHDSACASA-N 1 0 313.379 1.233 20 5 DDBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@H](C)[C@@H](C)CO)cccc1[N+](=O)[O-] ZINC000295865128 225325298 /nfs/dbraw/zinc/32/52/98/225325298.db2.gz YNAJFPUBUHREQJ-WCQGTBRESA-N 1 0 309.366 1.837 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000189319076 292588185 /nfs/dbraw/zinc/58/81/85/292588185.db2.gz PQPVBKWXGJTHHI-QWRGUYRKSA-N 1 0 313.379 1.322 20 5 DDBDRO C[C@H]1C[C@H](NC(=O)NCCc2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000417757643 225425861 /nfs/dbraw/zinc/42/58/61/225425861.db2.gz BLHILOJGJAZCKP-WCQYABFASA-N 1 0 306.366 1.577 20 5 DDBDRO CCOc1ccc(C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1[N+](=O)[O-] ZINC000366564877 418490822 /nfs/dbraw/zinc/49/08/22/418490822.db2.gz HMFMXBQEZOSZKZ-STQMWFEESA-N 1 0 319.361 1.818 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)n1 ZINC000191823254 418523102 /nfs/dbraw/zinc/52/31/02/418523102.db2.gz GBKHGDBSQACSQC-GFCCVEGCSA-N 1 0 321.381 1.369 20 5 DDBDRO Cc1nn(CCC(=O)N2CCCC[C@@H]2CC[NH3+])c(C)c1[N+](=O)[O-] ZINC000286042466 418573406 /nfs/dbraw/zinc/57/34/06/418573406.db2.gz KXDYOBCVSRPEFI-CYBMUJFWSA-N 1 0 323.397 1.528 20 5 DDBDRO CCC[NH2+]CCNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000193347163 222151348 /nfs/dbraw/zinc/15/13/48/222151348.db2.gz QPWDYQYVOIITHD-UHFFFAOYSA-N 1 0 301.368 1.014 20 5 DDBDRO C[C@H]1[NH2+]CCC[C@H]1NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000193463704 222155443 /nfs/dbraw/zinc/15/54/43/222155443.db2.gz ZDKDLZPURCDILY-ZWNOBZJWSA-N 1 0 313.379 1.155 20 5 DDBDRO Cn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]([NH+]3CCCCC3)C2)n1 ZINC000367396611 418596940 /nfs/dbraw/zinc/59/69/40/418596940.db2.gz LUZUTSBSCUFTKL-GFCCVEGCSA-N 1 0 321.381 1.419 20 5 DDBDRO C[N@@H+]1CC[C@H]2CCN(CCOc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000375034708 418591736 /nfs/dbraw/zinc/59/17/36/418591736.db2.gz DDUATUHTINATFK-ZFWWWQNUSA-N 1 0 305.378 2.000 20 5 DDBDRO C[N@@H+]1CCC[C@H](N2CCN(c3ncc([N+](=O)[O-])s3)CC2)C1 ZINC000375590788 418659211 /nfs/dbraw/zinc/65/92/11/418659211.db2.gz JJSTYWYIFIFHHD-NSHDSACASA-N 1 0 311.411 1.268 20 5 DDBDRO O=C(/C=C/c1cccc([N+](=O)[O-])c1)N[C@@H]1CC12CC[NH2+]CC2 ZINC000368127913 418693669 /nfs/dbraw/zinc/69/36/69/418693669.db2.gz YFRCJBHNCLULNR-ISZGNANSSA-N 1 0 301.346 1.866 20 5 DDBDRO [NH3+]CC[C@@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C(F)F ZINC000383504177 418733259 /nfs/dbraw/zinc/73/32/59/418733259.db2.gz RGIYEOOGBTZYMD-SECBINFHSA-N 1 0 307.684 1.961 20 5 DDBDRO C[C@@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000370990174 418755410 /nfs/dbraw/zinc/75/54/10/418755410.db2.gz BZKUJDSQYWJIFQ-DTZQCDIJSA-N 1 0 317.389 1.678 20 5 DDBDRO C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000365572349 418878163 /nfs/dbraw/zinc/87/81/63/418878163.db2.gz LEFMFKBVTJFPDQ-NRWUCQMLSA-N 1 0 323.418 1.912 20 5 DDBDRO [NH3+]C[C@H]1CC[C@@H](C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)O1 ZINC000423722025 227634549 /nfs/dbraw/zinc/63/45/49/227634549.db2.gz JHEKCBKJFNTBHC-HIFRSBDPSA-N 1 0 319.361 1.592 20 5 DDBDRO [NH3+][C@H]1Cc2ccccc2N(C(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000424080589 228225759 /nfs/dbraw/zinc/22/57/59/228225759.db2.gz ULNCIKNPHGKYLK-LBPRGKRZSA-N 1 0 315.333 1.098 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)NCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000298205587 228413427 /nfs/dbraw/zinc/41/34/27/228413427.db2.gz ZTSIFQMBNHPIMJ-UHFFFAOYSA-N 1 0 310.310 1.493 20 5 DDBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)NCC[C@@H]1CCC[NH2+]C1 ZINC000417943305 419408927 /nfs/dbraw/zinc/40/89/27/419408927.db2.gz OUEGSBIRKOBOTB-AWEZNQCLSA-N 1 0 320.393 1.826 20 5 DDBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000417952261 419416174 /nfs/dbraw/zinc/41/61/74/419416174.db2.gz XXYSCGZQVVCTNF-MRXNPFEDSA-N 1 0 318.377 1.532 20 5 DDBDRO COc1ccc(OCC[N@@H+]2CCC[C@H]2CCO)c([N+](=O)[O-])c1 ZINC000426265344 419426749 /nfs/dbraw/zinc/42/67/49/419426749.db2.gz UMAHFLHOLTWGIN-LBPRGKRZSA-N 1 0 310.350 1.829 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)C[C@@H]1CCC[N@@H+]1C ZINC000420997581 419431364 /nfs/dbraw/zinc/43/13/64/419431364.db2.gz HGYTVQDGUIUGRL-AWEZNQCLSA-N 1 0 320.393 1.868 20 5 DDBDRO C[C@H](CCC[NH3+])NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000418085405 419521614 /nfs/dbraw/zinc/52/16/14/419521614.db2.gz VCRZCBFLNSOZTM-SECBINFHSA-N 1 0 320.353 1.398 20 5 DDBDRO CO[C@](C)([C@H](C)[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CC1 ZINC000411961721 419523303 /nfs/dbraw/zinc/52/33/03/419523303.db2.gz ARYAVSIGVZATJT-MGPLVRAMSA-N 1 0 321.377 1.987 20 5 DDBDRO C[NH+](C)C1(CNc2ncc([N+](=O)[O-])cc2C(N)=O)CCCC1 ZINC000298700147 228707324 /nfs/dbraw/zinc/70/73/24/228707324.db2.gz DTBGKDFWYZVBPH-UHFFFAOYSA-N 1 0 307.354 1.375 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000421857719 419751127 /nfs/dbraw/zinc/75/11/27/419751127.db2.gz CBWVXOGFQMIDPH-HNNXBMFYSA-N 1 0 307.350 1.008 20 5 DDBDRO O=C1NC[C@@H]2CN(c3nccc4ccc([N+](=O)[O-])cc43)CCN12 ZINC000413178482 419773658 /nfs/dbraw/zinc/77/36/58/419773658.db2.gz NADBNVICWIWDBO-GFCCVEGCSA-N 1 0 313.317 1.357 20 5 DDBDRO CC[C@H]1CN(CCNC(=O)c2cccc(C)c2[N+](=O)[O-])CCO1 ZINC000428068159 419804691 /nfs/dbraw/zinc/80/46/91/419804691.db2.gz XOYVKAYOUUMXFW-ZDUSSCGKSA-N 1 0 321.377 1.744 20 5 DDBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC[C@H]([NH3+])C1CC1 ZINC000418501940 419840308 /nfs/dbraw/zinc/84/03/08/419840308.db2.gz SMIPMTOPAXQNEZ-ZDUSSCGKSA-N 1 0 306.366 1.516 20 5 DDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000418548345 419869837 /nfs/dbraw/zinc/86/98/37/419869837.db2.gz KTYLAURIOHMJFW-CYBMUJFWSA-N 1 0 306.366 1.878 20 5 DDBDRO C[C@H]1C[C@@H](NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CC[NH2+]1 ZINC000418609011 419899302 /nfs/dbraw/zinc/89/93/02/419899302.db2.gz SEHJCSAIBOQTEW-FZMZJTMJSA-N 1 0 318.377 1.803 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H]1CCOC[C@H]1C ZINC000433154689 229163304 /nfs/dbraw/zinc/16/33/04/229163304.db2.gz UJHCTEAZHQYVQN-VXGBXAGGSA-N 1 0 307.350 1.856 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CCC(O)(C[NH3+])CC1 ZINC000415146363 419965536 /nfs/dbraw/zinc/96/55/36/419965536.db2.gz YJPOIJRTXGLPCC-UHFFFAOYSA-N 1 0 309.366 1.279 20 5 DDBDRO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000415632683 420130588 /nfs/dbraw/zinc/13/05/88/420130588.db2.gz OZAUDQCYSPOUCN-SNVBAGLBSA-N 1 0 318.255 1.853 20 5 DDBDRO [NH3+]C[C@H]1CCC[C@H]1C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000423723163 420143111 /nfs/dbraw/zinc/14/31/11/420143111.db2.gz LEBUDTWASDGVQK-PSASIEDQSA-N 1 0 303.322 1.785 20 5 DDBDRO COc1ccc(NC(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)cc1[N+](=O)[O-] ZINC000415449453 420070933 /nfs/dbraw/zinc/07/09/33/420070933.db2.gz VVGKOBJKMADPDG-VHSXEESVSA-N 1 0 308.338 1.804 20 5 DDBDRO COC(=O)[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)[C@@H]1C ZINC000430231958 420092712 /nfs/dbraw/zinc/09/27/12/420092712.db2.gz DNRHJSRXBUYVDY-ZWNOBZJWSA-N 1 0 308.334 1.987 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[NH2+]C[C@@](C)(F)C1 ZINC000420324040 420208860 /nfs/dbraw/zinc/20/88/60/420208860.db2.gz ANYKXMZWBUXHDL-OAHLLOKOSA-N 1 0 324.356 1.475 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@H](C)C[C@H]1C[NH3+] ZINC000420327065 420209592 /nfs/dbraw/zinc/20/95/92/420209592.db2.gz CSUSWFGFHOFQAM-FZMZJTMJSA-N 1 0 320.393 1.901 20 5 DDBDRO CCOC(=O)c1ccnc(NCC[C@@H]2CCC[NH2+]C2)c1[N+](=O)[O-] ZINC000420212937 420152012 /nfs/dbraw/zinc/15/20/12/420152012.db2.gz UMFCFHKOMBMWBC-NSHDSACASA-N 1 0 322.365 1.968 20 5 DDBDRO CN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1CC[NH2+]CC1 ZINC000430612186 420158885 /nfs/dbraw/zinc/15/88/85/420158885.db2.gz QQCZSDLOMYIABD-UHFFFAOYSA-N 1 0 317.349 1.829 20 5 DDBDRO Cc1cc(NC[C@@H]2C[NH2+]C[C@@H]2O)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420243167 420165948 /nfs/dbraw/zinc/16/59/48/420165948.db2.gz PDOPMJFKOBUJLA-UFBFGSQYSA-N 1 0 319.283 1.914 20 5 DDBDRO C[NH2+]C[C@@H]1CCCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000430643311 420169095 /nfs/dbraw/zinc/16/90/95/420169095.db2.gz XACJAMWTXDPJDH-STQMWFEESA-N 1 0 320.393 1.853 20 5 DDBDRO C[C@H]1[C@@H]([NH3+])CCN1[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000420360533 420236407 /nfs/dbraw/zinc/23/64/07/420236407.db2.gz WYFWRAQRGXUBDY-LEWSCRJBSA-N 1 0 304.350 1.122 20 5 DDBDRO O=[N+]([O-])c1cnc2ccc(NC[C@H]3CCCC[N@@H+]3C3CC3)nn21 ZINC000433807536 420255168 /nfs/dbraw/zinc/25/51/68/420255168.db2.gz IHFIIOWOFJLRIC-GFCCVEGCSA-N 1 0 316.365 2.066 20 5 DDBDRO CC[NH2+]CCNS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000420412883 420270177 /nfs/dbraw/zinc/27/01/77/420270177.db2.gz DKJLMBOYUUSYFV-UHFFFAOYSA-N 1 0 301.368 1.099 20 5 DDBDRO C[NH2+][C@@H](C)CNS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000420424815 420277136 /nfs/dbraw/zinc/27/71/36/420277136.db2.gz IEFYGPFRTYTSPE-VIFPVBQESA-N 1 0 301.368 1.098 20 5 DDBDRO NC(=O)c1cccc([N+](=O)[O-])c1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000420606606 420329280 /nfs/dbraw/zinc/32/92/80/420329280.db2.gz XRUSEPAUIOJOGJ-GFCCVEGCSA-N 1 0 318.377 1.758 20 5 DDBDRO C[C@H]1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000424003259 420302156 /nfs/dbraw/zinc/30/21/56/420302156.db2.gz DMLHILQUWNFITL-QWHCGFSZSA-N 1 0 320.393 1.840 20 5 DDBDRO COc1ccc(NC(=O)CN2CC[NH2+][C@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000436056943 420304270 /nfs/dbraw/zinc/30/42/70/420304270.db2.gz FGVOEJUZESZFTQ-GHMZBOCLSA-N 1 0 322.365 1.224 20 5 DDBDRO CN(C[C@@H]1CCC[N@@H+]1C)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000420741559 420374692 /nfs/dbraw/zinc/37/46/92/420374692.db2.gz STYGWEXVPBHEDW-NSHDSACASA-N 1 0 313.379 1.310 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](c2nnc[nH]2)C1 ZINC000425553545 420416915 /nfs/dbraw/zinc/41/69/15/420416915.db2.gz UQQXAYIVEFIZGK-LLVKDONJSA-N 1 0 303.322 1.711 20 5 DDBDRO CCC[C@H]1C[NH2+]CCN1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000417760182 420470703 /nfs/dbraw/zinc/47/07/03/420470703.db2.gz FNMTVOBGBCDITP-AWEZNQCLSA-N 1 0 320.393 1.921 20 5 DDBDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000457084330 420606234 /nfs/dbraw/zinc/60/62/34/420606234.db2.gz GPBFFBBJDWYZRO-NSHDSACASA-N 1 0 306.366 1.732 20 5 DDBDRO CC(C)[N@@H+]1CC[C@@H](N(C)c2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000450957341 420570032 /nfs/dbraw/zinc/57/00/32/420570032.db2.gz UESGXLNEGPUQLI-SNVBAGLBSA-N 1 0 307.354 1.008 20 5 DDBDRO C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])s1)[C@@H]1CCC[NH2+]C1 ZINC000440359565 420570668 /nfs/dbraw/zinc/57/06/68/420570668.db2.gz PMEFFEJJDGDBOQ-RKDXNWHRSA-N 1 0 319.408 1.323 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC[C@@H]([NH3+])C(C)C ZINC000440403641 420572940 /nfs/dbraw/zinc/57/29/40/420572940.db2.gz DFXHAYNJTQEBFW-GFCCVEGCSA-N 1 0 315.395 1.473 20 5 DDBDRO CCc1nn(C)c(NCCN2CC[N@H+](C)C(C)(C)C2)c1[N+](=O)[O-] ZINC000440671619 420595961 /nfs/dbraw/zinc/59/59/61/420595961.db2.gz HIMTVKJSQTZGEY-UHFFFAOYSA-N 1 0 324.429 1.329 20 5 DDBDRO C[C@H](C[NH3+])CNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000441621383 420658667 /nfs/dbraw/zinc/65/86/67/420658667.db2.gz IBAQPSVYPVEAKN-SSDOTTSWSA-N 1 0 316.155 1.682 20 5 DDBDRO C[NH+](C)CCNc1cc(CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000447808305 420804359 /nfs/dbraw/zinc/80/43/59/420804359.db2.gz WGAUVBRLMZXLQE-UHFFFAOYSA-N 1 0 308.382 1.401 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2ccnn2-c2ccccc2)c1 ZINC000447894100 420811909 /nfs/dbraw/zinc/81/19/09/420811909.db2.gz BXHXPQAXRWGNKY-UHFFFAOYSA-N 1 0 312.333 1.767 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000448058396 420834985 /nfs/dbraw/zinc/83/49/85/420834985.db2.gz NECSRGCREKQWFY-AAEUAGOBSA-N 1 0 305.382 1.781 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)/C=C\c3ccc(F)cc3[N+](=O)[O-])C[C@@H]21 ZINC000493524276 420872459 /nfs/dbraw/zinc/87/24/59/420872459.db2.gz OYGBROONABWOPQ-FWQWQBSGSA-N 1 0 319.336 1.910 20 5 DDBDRO C[N@H+](CCCCNC(=O)Nc1ccncc1[N+](=O)[O-])C1CC1 ZINC000455035150 420960300 /nfs/dbraw/zinc/96/03/00/420960300.db2.gz OMFSMDZDWFBUGR-UHFFFAOYSA-N 1 0 307.354 1.408 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000449208218 420969294 /nfs/dbraw/zinc/96/92/94/420969294.db2.gz RBSXFIZXWPCDPH-OLZOCXBDSA-N 1 0 318.377 1.760 20 5 DDBDRO O=C(/C=C\c1cccc([N+](=O)[O-])c1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000493717407 420922537 /nfs/dbraw/zinc/92/25/37/420922537.db2.gz DFRRAZNXEYBTBR-MYNJGTHASA-N 1 0 301.346 1.961 20 5 DDBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000470182974 420932832 /nfs/dbraw/zinc/93/28/32/420932832.db2.gz LHFYVTZGTRSOBY-CDQZISKASA-N 1 0 319.361 1.573 20 5 DDBDRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000487494260 421031814 /nfs/dbraw/zinc/03/18/14/421031814.db2.gz DDJFZZMCEULKSW-MWLCHTKSSA-N 1 0 317.349 1.285 20 5 DDBDRO CNC(=O)C[C@@H](C)[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000449598697 421036516 /nfs/dbraw/zinc/03/65/16/421036516.db2.gz CVBJOMVFJSZQHK-GHMZBOCLSA-N 1 0 322.365 1.426 20 5 DDBDRO CC1(C)C[NH2+]CC[C@@H]1NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000449702641 421062283 /nfs/dbraw/zinc/06/22/83/421062283.db2.gz ZNBCSUGBNPCJBD-ZDUSSCGKSA-N 1 0 307.350 1.478 20 5 DDBDRO CNc1nc(C(=O)N[C@H]2CCC[N@H+](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000456017551 421089342 /nfs/dbraw/zinc/08/93/42/421089342.db2.gz ZBKHHBNCDGUFIE-UWVGGRQHSA-N 1 0 307.354 1.244 20 5 DDBDRO C[C@H]1[C@H](CO)CC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000488725759 421108797 /nfs/dbraw/zinc/10/87/97/421108797.db2.gz BDKBKHIBIKDFHE-RYUDHWBXSA-N 1 0 307.350 1.260 20 5 DDBDRO Nc1c(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)cc(F)cc1[N+](=O)[O-] ZINC000449718118 421068212 /nfs/dbraw/zinc/06/82/12/421068212.db2.gz IZZGKTKRRYKHJN-QMMMGPOBSA-N 1 0 324.234 1.326 20 5 DDBDRO Cc1nc(N2CC[C@H](C[N@H+](C)CC3CC3)C2)ncc1[N+](=O)[O-] ZINC000450366433 421189616 /nfs/dbraw/zinc/18/96/16/421189616.db2.gz SZLFFMGXVFENRU-CYBMUJFWSA-N 1 0 305.382 1.861 20 5 DDBDRO CC[NH+]1CCC(CCNC(=O)c2cc([N+](=O)[O-])cn2C)CC1 ZINC000525163543 421279117 /nfs/dbraw/zinc/27/91/17/421279117.db2.gz OVNBQDOUWPMIBB-UHFFFAOYSA-N 1 0 308.382 1.785 20 5 DDBDRO CNc1ccc(C(=O)N2CC[C@H](OC)C[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000563159834 421466076 /nfs/dbraw/zinc/46/60/76/421466076.db2.gz UBQSUTFCWAVGLY-RYUDHWBXSA-N 1 0 322.365 1.215 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@@H]1CCCS1 ZINC000516277336 421538974 /nfs/dbraw/zinc/53/89/74/421538974.db2.gz ZKKIUNRAZWDBIG-NEPJUHHUSA-N 1 0 312.391 1.820 20 5 DDBDRO C[C@@H](NC(=O)NCC1CC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000570306711 421638349 /nfs/dbraw/zinc/63/83/49/421638349.db2.gz SGHIVPCMZCDTAC-LLVKDONJSA-N 1 0 306.366 1.955 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC[N@H+](CC2CCC2)CC1 ZINC000518122652 421641112 /nfs/dbraw/zinc/64/11/12/421641112.db2.gz NIGCJXWKHJZQDH-UHFFFAOYSA-N 1 0 321.381 1.276 20 5 DDBDRO CC[C@@H]1C[N@H+](C)CCN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000517214013 421599395 /nfs/dbraw/zinc/59/93/95/421599395.db2.gz HKYSAFNLDVCULA-GFCCVEGCSA-N 1 0 306.366 1.559 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H](CO)CC1CCC1 ZINC000571920812 421753071 /nfs/dbraw/zinc/75/30/71/421753071.db2.gz JCYPWWDPHKMGNS-UONOGXRCSA-N 1 0 324.377 1.475 20 5 DDBDRO CC[NH+](CC)CCOCCNC(=O)c1ccccc1[N+](=O)[O-] ZINC000520894715 421766627 /nfs/dbraw/zinc/76/66/27/421766627.db2.gz LOFNDCWFWRNQMM-UHFFFAOYSA-N 1 0 309.366 1.683 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CCc1ccncc1 ZINC000521862783 421802885 /nfs/dbraw/zinc/80/28/85/421802885.db2.gz JYNDETKRFUGZOX-AWEZNQCLSA-N 1 0 317.345 1.562 20 5 DDBDRO C[C@@H](CO)CCC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000580888944 421857516 /nfs/dbraw/zinc/85/75/16/421857516.db2.gz SOVRSIIFGSHWNK-GFCCVEGCSA-N 1 0 309.366 1.922 20 5 DDBDRO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cn2)CC[N@@H+](C2CC2)C1 ZINC000580934113 421866735 /nfs/dbraw/zinc/86/67/35/421866735.db2.gz UOFSFYWWLYVEHX-NSHDSACASA-N 1 0 304.350 1.546 20 5 DDBDRO COCC[NH2+]C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2C)CC1 ZINC000574819822 422187806 /nfs/dbraw/zinc/18/78/06/422187806.db2.gz NCDRUFCAYMXDHR-UHFFFAOYSA-N 1 0 321.377 1.744 20 5 DDBDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000596305781 422373658 /nfs/dbraw/zinc/37/36/58/422373658.db2.gz AIOGMCZJIJTZIU-SNVBAGLBSA-N 1 0 304.354 1.922 20 5 DDBDRO COC(=O)c1cc(C)nc(NCC[C@H](C)[NH+](C)C)c1[N+](=O)[O-] ZINC000596430108 422375999 /nfs/dbraw/zinc/37/59/99/422375999.db2.gz JFDMHJKKOFCKEB-JTQLQIEISA-N 1 0 310.354 1.837 20 5 DDBDRO CC[C@]1(O)CCC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000602983366 422440594 /nfs/dbraw/zinc/44/05/94/422440594.db2.gz IWZIWTXEPXHMNH-CJNGLKHVSA-N 1 0 324.377 1.571 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)COc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000578414153 422563631 /nfs/dbraw/zinc/56/36/31/422563631.db2.gz WDIHLJMVBLHWRS-RISCZKNCSA-N 1 0 305.334 1.136 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000579233209 422731418 /nfs/dbraw/zinc/73/14/18/422731418.db2.gz BOKYALKPWLWVPO-VXGBXAGGSA-N 1 0 306.366 1.395 20 5 DDBDRO Cc1cc(N2C[C@H](O)[C@H](CO)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000317429034 271021945 /nfs/dbraw/zinc/02/19/45/271021945.db2.gz LKIGLMRSWBPABP-BONVTDFDSA-N 1 0 303.318 1.241 20 5 DDBDRO CC(=O)[C@H](NC(=O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000341594851 271132440 /nfs/dbraw/zinc/13/24/40/271132440.db2.gz SRKGMJWXIOUBIG-MEDUHNTESA-N 1 0 321.377 1.975 20 5 DDBDRO NC(=O)c1cccc(N2CC[N@@H+]3CCCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000341739954 271195271 /nfs/dbraw/zinc/19/52/71/271195271.db2.gz BWQPDMXJZYATOW-LLVKDONJSA-N 1 0 304.350 1.368 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@]23CCOC3)c1 ZINC000341978022 271265453 /nfs/dbraw/zinc/26/54/53/271265453.db2.gz XFMBTZBXLBURAG-GDBMZVCRSA-N 1 0 322.361 1.589 20 5 DDBDRO C[N@@H+]1CCCN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000342014080 271275106 /nfs/dbraw/zinc/27/51/06/271275106.db2.gz YJDQXTLWROFJES-UHFFFAOYSA-N 1 0 303.322 1.787 20 5 DDBDRO [NH3+]C1(CNCc2nc(-c3cccc([N+](=O)[O-])c3)no2)CCC1 ZINC000342109242 271299809 /nfs/dbraw/zinc/29/98/09/271299809.db2.gz QUATYGQXGODAQQ-UHFFFAOYSA-N 1 0 303.322 1.616 20 5 DDBDRO CC[N@H+]1C[C@@H](C)N(C(=O)COc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000344429306 272024065 /nfs/dbraw/zinc/02/40/65/272024065.db2.gz RFYJKANGFITYHW-BETUJISGSA-N 1 0 321.377 1.915 20 5 DDBDRO Cn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)n1 ZINC000344645091 272077794 /nfs/dbraw/zinc/07/77/94/272077794.db2.gz CNYCURFUMVGPOU-LLVKDONJSA-N 1 0 309.370 1.179 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H](C)C[NH+](C)C)cc1C ZINC000344910585 272139034 /nfs/dbraw/zinc/13/90/34/272139034.db2.gz WISLUWVFUWMBNF-LLVKDONJSA-N 1 0 315.395 1.440 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CCC[C@H]([NH3+])C1 ZINC000346085899 272409105 /nfs/dbraw/zinc/40/91/05/272409105.db2.gz HULBAQWKFWWMNN-QWRGUYRKSA-N 1 0 322.365 1.354 20 5 DDBDRO C[C@@H]1C[N@H+](C)CCN1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000408071341 274333690 /nfs/dbraw/zinc/33/36/90/274333690.db2.gz JVBCXBDCTJSHJD-LLVKDONJSA-N 1 0 307.350 1.597 20 5 DDBDRO C[C@@H]1CN(c2nccc3cc([N+](=O)[O-])ccc32)CC[N@@H+]1CCO ZINC000450456061 274370557 /nfs/dbraw/zinc/37/05/57/274370557.db2.gz WPMOPDQFDQLNJQ-GFCCVEGCSA-N 1 0 316.361 1.646 20 5 DDBDRO CC(C)[C@@H](C[NH3+])C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000236675222 275668874 /nfs/dbraw/zinc/66/88/74/275668874.db2.gz KVJYZJSZOSONAQ-CYBMUJFWSA-N 1 0 320.393 1.474 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000423574631 276381892 /nfs/dbraw/zinc/38/18/92/276381892.db2.gz XHWYSSGKFHMDPJ-WDEREUQCSA-N 1 0 307.350 1.721 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000423670954 276382062 /nfs/dbraw/zinc/38/20/62/276382062.db2.gz BMSPYUJDVRTLDS-QMMMGPOBSA-N 1 0 317.292 1.706 20 5 DDBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000437754629 276842366 /nfs/dbraw/zinc/84/23/66/276842366.db2.gz DPIIPXIXXBXLIR-WXHSDQCUSA-N 1 0 322.365 1.247 20 5 DDBDRO C[N@@H+]1CCO[C@H]2CN(c3ccc4ncccc4c3[N+](=O)[O-])C[C@@H]21 ZINC000153187072 277131615 /nfs/dbraw/zinc/13/16/15/277131615.db2.gz RCMXGAJOFAHAOL-GJZGRUSLSA-N 1 0 314.345 1.662 20 5 DDBDRO C[N@@H+]1CC[C@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000286002010 277179919 /nfs/dbraw/zinc/17/99/19/277179919.db2.gz ZAJJBUZCMFAFCU-ZIAGYGMSSA-N 1 0 305.334 1.140 20 5 DDBDRO C[NH2+]C[C@@H]1CCCN1S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000261606598 277279135 /nfs/dbraw/zinc/27/91/35/277279135.db2.gz CZQCGNSICYGQIQ-VIFPVBQESA-N 1 0 317.342 1.106 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000423971879 279157713 /nfs/dbraw/zinc/15/77/13/279157713.db2.gz KVNBGHSMQGIEEW-DOMZBBRYSA-N 1 0 318.377 1.902 20 5 DDBDRO [NH3+]C[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000089107836 279649801 /nfs/dbraw/zinc/64/98/01/279649801.db2.gz BARMNQQPICTCSS-MNOVXSKESA-N 1 0 313.379 1.391 20 5 DDBDRO CC(C)NC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000056196725 280901056 /nfs/dbraw/zinc/90/10/56/280901056.db2.gz HFFCFZRIZQLSFV-MNOVXSKESA-N 1 0 322.365 1.868 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1[C@H](C)CN(C)C[C@@H]1C ZINC000127272412 281269900 /nfs/dbraw/zinc/26/99/00/281269900.db2.gz MEPPICMXHSDOKR-PHIMTYICSA-N 1 0 307.350 1.768 20 5 DDBDRO Cn1ccnc1[C@H](NCCC[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000272479928 289117224 /nfs/dbraw/zinc/11/72/24/289117224.db2.gz BYOPEGOBYXEFSE-OAHLLOKOSA-N 1 0 317.393 1.959 20 5 DDBDRO C[C@H]1CCC[C@@](CNC(=O)c2c([N+](=O)[O-])cnn2C)([NH+](C)C)C1 ZINC000163429554 298209610 /nfs/dbraw/zinc/20/96/10/298209610.db2.gz IWSDFTUPDWCTKZ-XHDPSFHLSA-N 1 0 323.397 1.569 20 5 DDBDRO Cn1nc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000356707599 298854843 /nfs/dbraw/zinc/85/48/43/298854843.db2.gz GKHIHZVXTDSGFO-LBPRGKRZSA-N 1 0 321.381 1.132 20 5 DDBDRO CCc1ncc(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])o1 ZINC000574033617 304628670 /nfs/dbraw/zinc/62/86/70/304628670.db2.gz PQQHLPJDAKEPRH-NSHDSACASA-N 1 0 321.333 1.675 20 5 DDBDRO CCCC(=O)N1CCCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000364320677 300375518 /nfs/dbraw/zinc/37/55/18/300375518.db2.gz OWOUJJRUFQYFCZ-UHFFFAOYSA-N 1 0 309.370 1.126 20 5 DDBDRO C[C@H]1C[C@H](C[NH3+])CN1S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000126853680 300490808 /nfs/dbraw/zinc/49/08/08/300490808.db2.gz KMIPYVAZXFXNKU-DTWKUNHWSA-N 1 0 317.342 1.092 20 5 DDBDRO CC(C)OC[C@H](O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365890185 300603639 /nfs/dbraw/zinc/60/36/39/300603639.db2.gz ZLAJYLUMYXUUPE-CYBMUJFWSA-N 1 0 312.370 1.214 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000368372589 301013500 /nfs/dbraw/zinc/01/35/00/301013500.db2.gz AAQINLKPDWBLFN-CQSZACIVSA-N 1 0 318.377 1.533 20 5 DDBDRO O=C1CC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)[C@@H](C2CC2)N1 ZINC000368501062 301042257 /nfs/dbraw/zinc/04/22/57/301042257.db2.gz ZPULKHCNVIASRR-IUODEOHRSA-N 1 0 307.325 1.881 20 5 DDBDRO C[C@@H]1CC(=O)NCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000369453853 301187768 /nfs/dbraw/zinc/18/77/68/301187768.db2.gz XAZBEJPPYDVISC-GFCCVEGCSA-N 1 0 307.350 1.574 20 5 DDBDRO C[C@@H]1C[C@H](NC(=O)[C@H]2C[C@@H]2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000370469402 301345703 /nfs/dbraw/zinc/34/57/03/301345703.db2.gz CUEOTLHVBXFTEC-UNQGMJICSA-N 1 0 303.362 1.431 20 5 DDBDRO [NH3+][C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000372444049 301573282 /nfs/dbraw/zinc/57/32/82/301573282.db2.gz ASQBHKXOWWNCCO-UOJUARBOSA-N 1 0 305.334 1.454 20 5 DDBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000377058241 302138759 /nfs/dbraw/zinc/13/87/59/302138759.db2.gz VKAYDHXURRATFT-GHMZBOCLSA-N 1 0 306.322 1.052 20 5 DDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000378546581 302333765 /nfs/dbraw/zinc/33/37/65/302333765.db2.gz WQCBQZTZKHDLHZ-QWRGUYRKSA-N 1 0 304.350 1.534 20 5 DDBDRO Cc1c(CC(=O)N(CC[NH+](C)C)C2CC2)cccc1[N+](=O)[O-] ZINC000356290701 306846680 /nfs/dbraw/zinc/84/66/80/306846680.db2.gz CPXLHXNSDSGWBO-UHFFFAOYSA-N 1 0 305.378 1.998 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CC[C@H]3CCOC3)CC2)cn1 ZINC000525865051 302916462 /nfs/dbraw/zinc/91/64/62/302916462.db2.gz NRSCNFGZEQEVHG-ZDUSSCGKSA-N 1 0 306.366 1.538 20 5 DDBDRO CCn1nc(C)c([N+](=O)[O-])c1NCCCC[NH+]1CCN(C)CC1 ZINC000530473696 303198657 /nfs/dbraw/zinc/19/86/57/303198657.db2.gz BFMSHKDQPALAKL-UHFFFAOYSA-N 1 0 324.429 1.559 20 5 DDBDRO NC(=O)c1cccc([N+](=O)[O-])c1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000420589978 303347774 /nfs/dbraw/zinc/34/77/74/303347774.db2.gz UUCBADTZKPTJKQ-GFCCVEGCSA-N 1 0 318.377 1.758 20 5 DDBDRO CC[NH+](CC)CC[C@H](CO)NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000537719123 303378288 /nfs/dbraw/zinc/37/82/88/303378288.db2.gz XNDRSVODPMIYCN-CQSZACIVSA-N 1 0 323.393 1.726 20 5 DDBDRO O=C(NC1CC[NH+](C2CCCC2)CC1)c1c[nH]nc1[N+](=O)[O-] ZINC000548956246 303600372 /nfs/dbraw/zinc/60/03/72/303600372.db2.gz YQGQPDVJCXVABT-UHFFFAOYSA-N 1 0 307.354 1.455 20 5 DDBDRO COC[C@H](C)C[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000560621987 303822372 /nfs/dbraw/zinc/82/23/72/303822372.db2.gz JMPDOTKBTINROI-CYBMUJFWSA-N 1 0 321.377 1.635 20 5 DDBDRO O=[N+]([O-])c1cccc(OCC[NH2+][C@H](CO)C2CCOCC2)c1 ZINC000359873623 306965715 /nfs/dbraw/zinc/96/57/15/306965715.db2.gz KLZHGHWAZNSWPF-OAHLLOKOSA-N 1 0 310.350 1.351 20 5 DDBDRO CN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@H](C[NH3+])C1CC1 ZINC000359893946 306966350 /nfs/dbraw/zinc/96/63/50/306966350.db2.gz CVMNAKHRVBNTKQ-CYBMUJFWSA-N 1 0 317.349 1.814 20 5 DDBDRO O=C(NC[C@@H]1CCC[N@H+](Cc2cccnc2)C1)[C@H]1C[C@@H]1[N+](=O)[O-] ZINC000363398877 307027266 /nfs/dbraw/zinc/02/72/66/307027266.db2.gz QBJWAAMWMCFAND-KKUMJFAQSA-N 1 0 318.377 1.075 20 5 DDBDRO COC(=O)CN1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000363562058 307031297 /nfs/dbraw/zinc/03/12/97/307031297.db2.gz HZBNPSDZASPPEE-UHFFFAOYSA-N 1 0 321.377 1.584 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000371226360 307145485 /nfs/dbraw/zinc/14/54/85/307145485.db2.gz BCVMEZSAEJVXME-DOMZBBRYSA-N 1 0 318.377 1.902 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)n1 ZINC000373142415 307180437 /nfs/dbraw/zinc/18/04/37/307180437.db2.gz TWHLPVPDYYFKIS-KGLIPLIRSA-N 1 0 308.382 1.930 20 5 DDBDRO O=C1N[C@H]2C[N@H+](CCOc3ccc([N+](=O)[O-])cc3)CC[C@@H]2CO1 ZINC000374073904 307202468 /nfs/dbraw/zinc/20/24/68/307202468.db2.gz FYYFZFWGCHCDLD-RISCZKNCSA-N 1 0 321.333 1.404 20 5 DDBDRO COC(=O)[C@@]12CCC[C@H]1C[N@H+](CCn1cc([N+](=O)[O-])cn1)C2 ZINC000374695379 307211849 /nfs/dbraw/zinc/21/18/49/307211849.db2.gz FNIMJXROSTXSGG-SMDDNHRTSA-N 1 0 308.338 1.066 20 5 DDBDRO COc1ccc(C(=O)N2[C@@H]3CC[C@H]2C[C@@H]([NH3+])C3)cc1[N+](=O)[O-] ZINC000375252427 307219763 /nfs/dbraw/zinc/21/97/63/307219763.db2.gz HXWADMWWBWLYKU-ZSBIGDGJSA-N 1 0 305.334 1.698 20 5 DDBDRO Cn1ccc(N2CC[C@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000375792476 307231609 /nfs/dbraw/zinc/23/16/09/307231609.db2.gz MWGJQFCDHXHOBB-ZDUSSCGKSA-N 1 0 301.350 1.697 20 5 DDBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3C[C@H](O)C[C@@H]3CO)o2)cc1 ZINC000376897809 307258255 /nfs/dbraw/zinc/25/82/55/307258255.db2.gz STXIZYIYLVVILL-ZIAGYGMSSA-N 1 0 318.329 1.782 20 5 DDBDRO O=C1NC[C@@H]2C[N@H+](CCOc3ccccc3[N+](=O)[O-])CC[C@H]12 ZINC000377683738 307275820 /nfs/dbraw/zinc/27/58/20/307275820.db2.gz UZVIEAWEUMLMOZ-NEPJUHHUSA-N 1 0 305.334 1.042 20 5 DDBDRO CN1CC[NH2+]C[C@@H]1CNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000394768730 307295659 /nfs/dbraw/zinc/29/56/59/307295659.db2.gz KSRGGKNFQKPSIG-LLVKDONJSA-N 1 0 301.350 1.459 20 5 DDBDRO CC[NH2+]CCCNC(=O)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000517017982 307427770 /nfs/dbraw/zinc/42/77/70/307427770.db2.gz RRBSCVRHSYOAPA-UHFFFAOYSA-N 1 0 322.365 1.266 20 5 DDBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000519535677 307453409 /nfs/dbraw/zinc/45/34/09/307453409.db2.gz BMWVYSNVHDNDIG-VXGBXAGGSA-N 1 0 308.382 1.905 20 5 DDBDRO COC[C@@H](C)C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000526115924 307493447 /nfs/dbraw/zinc/49/34/47/307493447.db2.gz IYZUTEYEIKOAOE-NSHDSACASA-N 1 0 316.379 1.241 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cn1 ZINC000538743385 307676827 /nfs/dbraw/zinc/67/68/27/307676827.db2.gz AHMXLJKDFCTQQV-KBPBESRZSA-N 1 0 306.366 1.415 20 5 DDBDRO Cc1c([C@H](C)[NH2+]C[C@@H](C)S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000539047349 307679596 /nfs/dbraw/zinc/67/95/96/307679596.db2.gz PEFNNEURXLFUEA-KOLCDFICSA-N 1 0 300.380 1.987 20 5 DDBDRO COc1cc(C(=O)N2CC[C@@H]([NH3+])C[C@@H]2C)cc([N+](=O)[O-])c1OC ZINC000567058537 308069826 /nfs/dbraw/zinc/06/98/26/308069826.db2.gz XLYMOZRTEIKPCK-GXSJLCMTSA-N 1 0 323.349 1.564 20 5 DDBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCCn1cc(CO)nn1 ZINC000569866818 308152133 /nfs/dbraw/zinc/15/21/33/308152133.db2.gz AKHGRYLIXRVMHH-AWEZNQCLSA-N 1 0 317.349 1.346 20 5 DDBDRO COc1ccc([C@@H](C[NH3+])Cn2cc([N+](=O)[O-])cc(C)c2=O)cc1 ZINC000571321516 308194107 /nfs/dbraw/zinc/19/41/07/308194107.db2.gz ZWLABESBUQTYKO-ZDUSSCGKSA-N 1 0 317.345 1.816 20 5 DDBDRO C/C=C/C[C@H](CO)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000574323663 308268153 /nfs/dbraw/zinc/26/81/53/308268153.db2.gz FFXIRWKZYGTEJI-QAVQXKDTSA-N 1 0 307.350 1.840 20 5 DDBDRO CC1(C)C[C@@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000576149247 308292268 /nfs/dbraw/zinc/29/22/68/308292268.db2.gz PMUSNOBBCLFBKB-STQMWFEESA-N 1 0 324.377 1.882 20 5 DDBDRO C[C@H](O)C[C@H](C)C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000578987564 308499156 /nfs/dbraw/zinc/49/91/56/308499156.db2.gz GLCHESYBVGMSNF-SGMGOOAPSA-N 1 0 312.366 1.331 20 5 DDBDRO O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000579710574 308552227 /nfs/dbraw/zinc/55/22/27/308552227.db2.gz LYUJTUGZCKJSHN-UHFFFAOYSA-N 1 0 320.349 1.300 20 5 DDBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@H](CO)[C@@H]1CCOC1 ZINC000580724570 308626723 /nfs/dbraw/zinc/62/67/23/308626723.db2.gz GPUGBHHLLVHXOX-JMSVASOKSA-N 1 0 306.362 1.817 20 5 DDBDRO COc1cc(C(=O)N2CCC[C@H]3C[NH2+]C[C@H]32)ccc1[N+](=O)[O-] ZINC000389312214 325774656 /nfs/dbraw/zinc/77/46/56/325774656.db2.gz FEVKKZMBGZKPHG-WCQYABFASA-N 1 0 305.334 1.427 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@H]1CC[C@@H](CO)C1 ZINC000584113361 331832229 /nfs/dbraw/zinc/83/22/29/331832229.db2.gz OAOUCMCIXZDJHA-AGIUHOORSA-N 1 0 310.350 1.085 20 5 DDBDRO C[C@@]1(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CCCO1 ZINC000582901057 337212932 /nfs/dbraw/zinc/21/29/32/337212932.db2.gz XTJQTAZKHSLIPL-WFASDCNBSA-N 1 0 310.350 1.493 20 5 DDBDRO COc1cc(C[NH2+]CCC2CC(O)C2)c([N+](=O)[O-])cc1OC ZINC000432368480 533873394 /nfs/dbraw/zinc/87/33/94/533873394.db2.gz QHFKGPPYXCBHKJ-UHFFFAOYSA-N 1 0 310.350 1.863 20 5 DDBDRO Cc1cc(C(=O)NC[C@@H]2CCCC[N@@H+]2CCO)cc([N+](=O)[O-])c1 ZINC000452387951 534058745 /nfs/dbraw/zinc/05/87/45/534058745.db2.gz INKLOVAZSYYTNM-AWEZNQCLSA-N 1 0 321.377 1.480 20 5 DDBDRO C[C@@H](CO)[C@H](C)[NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000295877186 534146339 /nfs/dbraw/zinc/14/63/39/534146339.db2.gz ZLTYKRRZFOLWKI-IUCAKERBSA-N 1 0 315.757 1.793 20 5 DDBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000417225753 534463042 /nfs/dbraw/zinc/46/30/42/534463042.db2.gz KABCNBYJUSVBOA-OKILXGFUSA-N 1 0 318.377 1.673 20 5 DDBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)NCCC1=CC[NH2+]CC1 ZINC000417224289 534463173 /nfs/dbraw/zinc/46/31/73/534463173.db2.gz HRXSRJCNLZHKGY-UHFFFAOYSA-N 1 0 318.377 1.746 20 5 DDBDRO [NH3+]C1CCC(NC(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 ZINC000417938229 534556447 /nfs/dbraw/zinc/55/64/47/534556447.db2.gz JEJJWGJRDROFPD-UHFFFAOYSA-N 1 0 306.366 1.706 20 5 DDBDRO C[NH2+]C[C@@H]1CCCN1S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000156615291 522051141 /nfs/dbraw/zinc/05/11/41/522051141.db2.gz JESDCFRWDCACTR-ZDUSSCGKSA-N 1 0 313.379 1.108 20 5 DDBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000491561349 534776157 /nfs/dbraw/zinc/77/61/57/534776157.db2.gz JRXKHSIFJNDSNL-UTPRNQHHSA-N 1 0 301.346 1.961 20 5 DDBDRO CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000423147151 527901505 /nfs/dbraw/zinc/90/15/05/527901505.db2.gz REGYUECCCZQGQV-LEWSCRJBSA-N 1 0 307.350 1.539 20 5 DDBDRO CC1(C)COC[C@@H]1[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000451813930 529133698 /nfs/dbraw/zinc/13/36/98/529133698.db2.gz SAXBPXFVWOSOIX-AWEZNQCLSA-N 1 0 319.361 1.499 20 5 DDBDRO CN(c1ccc([N+](=O)[O-])cc1-c1nn[nH]n1)[C@@H]1CCC[N@H+](C)C1 ZINC000736856695 599119782 /nfs/dbraw/zinc/11/97/82/599119782.db2.gz LZJVAEODYQMBCM-LLVKDONJSA-N 1 0 317.353 1.305 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCc3c[nH+]ccc32)c(-c2nn[nH]n2)c1 ZINC000823639895 606483006 /nfs/dbraw/zinc/48/30/06/606483006.db2.gz LDHLKLPPMMDWMC-UHFFFAOYSA-N 1 0 309.289 1.864 20 5 DDBDRO CNC(=O)CCC[N@H+](C)Cn1nc(C)c2ccc([N+](=O)[O-])cc21 ZINC000121276846 696707753 /nfs/dbraw/zinc/70/77/53/696707753.db2.gz OXQJAZJWWMBMPI-UHFFFAOYSA-N 1 0 319.365 1.668 20 5 DDBDRO CCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000071312855 696391927 /nfs/dbraw/zinc/39/19/27/696391927.db2.gz BAUCCNVICXQKBB-LBPRGKRZSA-N 1 0 313.379 1.276 20 5 DDBDRO O=C(NCC[NH+]1CCCC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000072634309 696395213 /nfs/dbraw/zinc/39/52/13/696395213.db2.gz KOJPAVPBEKUFMW-UHFFFAOYSA-N 1 0 308.294 1.329 20 5 DDBDRO O=[N+]([O-])c1ccc(-c2noc(C[C@H]3CSCC[NH2+]3)n2)cc1 ZINC000091128913 696585859 /nfs/dbraw/zinc/58/58/59/696585859.db2.gz SIZHONXOBFNRIL-JTQLQIEISA-N 1 0 306.347 1.892 20 5 DDBDRO C[C@H](C(=O)OCCn1cc([N+](=O)[O-])cn1)[NH+]1[C@H](C)CC[C@H]1C ZINC000748128315 700101118 /nfs/dbraw/zinc/10/11/18/700101118.db2.gz DDXBBURXMYFOCY-IJLUTSLNSA-N 1 0 310.354 1.596 20 5 DDBDRO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000123367061 696731196 /nfs/dbraw/zinc/73/11/96/696731196.db2.gz FKHWLROJXKRASX-SECBINFHSA-N 1 0 317.342 1.012 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CCOC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000124015324 696738143 /nfs/dbraw/zinc/73/81/43/696738143.db2.gz QRTWFEXNOWEPMK-GFCCVEGCSA-N 1 0 324.381 1.907 20 5 DDBDRO CC(=O)NCCC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000150074478 696876863 /nfs/dbraw/zinc/87/68/63/696876863.db2.gz GGGPMQFVCKNWJT-UHFFFAOYSA-N 1 0 306.366 1.243 20 5 DDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[N@H+](CC2=CCCCC2)CC1 ZINC000981137068 697015255 /nfs/dbraw/zinc/01/52/55/697015255.db2.gz LRHMTXFFPFGJNE-HUUCEWRRSA-N 1 0 307.394 1.686 20 5 DDBDRO Cc1ncsc1C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000983655248 697286786 /nfs/dbraw/zinc/28/67/86/697286786.db2.gz RLJVXIXSARXRRD-DDHJBXDOSA-N 1 0 324.406 1.101 20 5 DDBDRO O=C(C[C@@H]1CCC[NH2+]1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000194019089 697688271 /nfs/dbraw/zinc/68/82/71/697688271.db2.gz KFDMZZHROYTQLF-ZDUSSCGKSA-N 1 0 318.377 1.386 20 5 DDBDRO [NH3+][C@H](CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000237967906 697814809 /nfs/dbraw/zinc/81/48/09/697814809.db2.gz DBDNYGNESVPVSV-CQSZACIVSA-N 1 0 306.366 1.640 20 5 DDBDRO Cc1nn(CN2CC[C@H](C[NH+](C)C)C2)c2ncc([N+](=O)[O-])cc12 ZINC000749955866 700194786 /nfs/dbraw/zinc/19/47/86/700194786.db2.gz TUQFMGMIKHBSHL-GFCCVEGCSA-N 1 0 318.381 1.489 20 5 DDBDRO CC(=O)N(C)C1CC[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776578614 698120024 /nfs/dbraw/zinc/12/00/24/698120024.db2.gz GZCJVMZPJMRTNG-INIZCTEOSA-N 1 0 321.377 1.571 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCS[C@@H]3COCC[C@@H]32)cc1 ZINC000776587137 698122596 /nfs/dbraw/zinc/12/25/96/698122596.db2.gz ULYPECVAELXWFB-RRFJBIMHSA-N 1 0 324.402 1.835 20 5 DDBDRO COc1cc(F)c([N+](=O)[O-])c(NCCOCC[NH+](C)C)c1 ZINC000779428386 698422302 /nfs/dbraw/zinc/42/23/02/698422302.db2.gz BRHWNLSSYSAXRD-UHFFFAOYSA-N 1 0 301.318 1.733 20 5 DDBDRO C[C@]1(C[NH3+])CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000261686899 698432988 /nfs/dbraw/zinc/43/29/88/698432988.db2.gz MWNWSOBMRZDANI-GFCCVEGCSA-N 1 0 317.342 1.093 20 5 DDBDRO C[C@H]([NH3+])[C@@H]1CCCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000261946608 698446751 /nfs/dbraw/zinc/44/67/51/698446751.db2.gz MJVFCLJORCZAHF-CMPLNLGQSA-N 1 0 306.366 1.253 20 5 DDBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000261953522 698447563 /nfs/dbraw/zinc/44/75/63/698447563.db2.gz WRZYQAFYWOGBHG-AWEZNQCLSA-N 1 0 319.365 1.106 20 5 DDBDRO CC1(C)CN(c2ccc([N+](=O)[O-])c3nonc32)CC[N@@H+]1CCO ZINC000780630479 698540312 /nfs/dbraw/zinc/54/03/12/698540312.db2.gz RVAMFAYCHKTWNJ-UHFFFAOYSA-N 1 0 321.337 1.024 20 5 DDBDRO C[C@@H]1CC[C@@H]1[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000783225182 698820986 /nfs/dbraw/zinc/82/09/86/698820986.db2.gz PBUHGMUJXJGWIJ-MFKMUULPSA-N 1 0 313.379 1.261 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C[C@@H](O)c1ccco1 ZINC000783910602 698891329 /nfs/dbraw/zinc/89/13/29/698891329.db2.gz WFUMKVQBGDWYTD-WCQYABFASA-N 1 0 322.317 1.251 20 5 DDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000420409855 699139663 /nfs/dbraw/zinc/13/96/63/699139663.db2.gz WIRQYEWAXTWJHW-WBMJQRKESA-N 1 0 318.377 1.750 20 5 DDBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000424034009 699147860 /nfs/dbraw/zinc/14/78/60/699147860.db2.gz ZELZMOHKTJHSRZ-INIZCTEOSA-N 1 0 319.361 1.718 20 5 DDBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N1CC[C@]2(CCC[NH2+]2)C1 ZINC000424027509 699147889 /nfs/dbraw/zinc/14/78/89/699147889.db2.gz MQJIFUDSVWYZSC-MRXNPFEDSA-N 1 0 318.377 1.751 20 5 DDBDRO C[NH+](C)C[C@@H](CO)Nc1cccc(Br)c1[N+](=O)[O-] ZINC000716782150 699284734 /nfs/dbraw/zinc/28/47/34/699284734.db2.gz JUYDVJKPVHMIJN-QMMMGPOBSA-N 1 0 318.171 1.692 20 5 DDBDRO C[NH+](C)C[C@H](O)CNc1ncc([N+](=O)[O-])cc1Br ZINC000717401122 699288580 /nfs/dbraw/zinc/28/85/80/699288580.db2.gz IBMHXWFHXSDMMM-MRVPVSSYSA-N 1 0 319.159 1.087 20 5 DDBDRO Cc1nn(C)c(NC2CC[NH+](C[C@H]3CCCO3)CC2)c1[N+](=O)[O-] ZINC000725787762 699333938 /nfs/dbraw/zinc/33/39/38/699333938.db2.gz MMBGPQPFXXMTIN-CYBMUJFWSA-N 1 0 323.397 1.692 20 5 DDBDRO COC[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCO1 ZINC000789384749 699383284 /nfs/dbraw/zinc/38/32/84/699383284.db2.gz ZQDOITRPNQAWHQ-SOUVJXGZSA-N 1 0 310.350 1.412 20 5 DDBDRO CN1CC[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000729681860 699484785 /nfs/dbraw/zinc/48/47/85/699484785.db2.gz LIZCFPPYOMBUBT-JTQLQIEISA-N 1 0 301.293 1.990 20 5 DDBDRO C[NH+](C)C1CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1 ZINC000791359914 699627158 /nfs/dbraw/zinc/62/71/58/699627158.db2.gz HZVZUFQWNJSFBT-UHFFFAOYSA-N 1 0 310.329 1.482 20 5 DDBDRO CNC(=O)c1ccc(NCC[N@@H+]2CCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000742426783 699878474 /nfs/dbraw/zinc/87/84/74/699878474.db2.gz BTQHBMNPBDZRIT-LLVKDONJSA-N 1 0 306.366 1.851 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H](C)[NH+]2CCCCC2)n1 ZINC000756814432 700642273 /nfs/dbraw/zinc/64/22/73/700642273.db2.gz ZMMBLZKWJJYLGL-LLVKDONJSA-N 1 0 309.370 1.415 20 5 DDBDRO Cn1c(Cl)cnc1CN(CC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000809735169 701684027 /nfs/dbraw/zinc/68/40/27/701684027.db2.gz SXBCSMBJBGJYTF-UHFFFAOYSA-N 1 0 309.757 1.947 20 5 DDBDRO COC(=O)C(C)(C)CCN(CC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000809736296 701684139 /nfs/dbraw/zinc/68/41/39/701684139.db2.gz NUFBLVZNGISAIC-UHFFFAOYSA-N 1 0 309.366 1.949 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](CO)C1CC1 ZINC000771815522 701332787 /nfs/dbraw/zinc/33/27/87/701332787.db2.gz VYHGKSSKLOUEMS-CYBMUJFWSA-N 1 0 323.349 1.293 20 5 DDBDRO Cc1nnc([C@H]2CC[N@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)[nH]1 ZINC000839660903 701769762 /nfs/dbraw/zinc/76/97/62/701769762.db2.gz ZLENMCAUWWDJEH-GXTWGEPZSA-N 1 0 317.349 1.544 20 5 DDBDRO C[C@@]([NH3+])(C(=O)NC[C@@]1(C)CC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000867984661 701874621 /nfs/dbraw/zinc/87/46/21/701874621.db2.gz MYWYKBUTQKZUJV-OLZOCXBDSA-N 1 0 313.304 1.930 20 5 DDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CC[N@H+](C)C(C)(C)CC1 ZINC000866115332 706623187 /nfs/dbraw/zinc/62/31/87/706623187.db2.gz ZGRIRLPXCSIVSA-UHFFFAOYSA-N 1 0 320.393 1.875 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)NCc3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000868160299 701970287 /nfs/dbraw/zinc/97/02/87/701970287.db2.gz DUDFEYCUOQJVJH-HIFRSBDPSA-N 1 0 318.377 1.830 20 5 DDBDRO Cc1nn(C[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@H]2O)c(C)c1[N+](=O)[O-] ZINC000840118278 701977323 /nfs/dbraw/zinc/97/73/23/701977323.db2.gz DBDZOADAHRXHMU-BFHYXJOUSA-N 1 0 308.382 1.991 20 5 DDBDRO C[C@H]1CN(Cn2nccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000840176560 702013952 /nfs/dbraw/zinc/01/39/52/702013952.db2.gz CZCMZESLFIWOPR-AWEZNQCLSA-N 1 0 315.377 1.955 20 5 DDBDRO CC(C)[N@H+](C)C[C@H](C)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000811599967 702014993 /nfs/dbraw/zinc/01/49/93/702014993.db2.gz DBJYPZZBHZZQDY-JTQLQIEISA-N 1 0 324.337 1.962 20 5 DDBDRO C[N@@H+]1CCCC[C@@H]1CCOC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000840223349 702034808 /nfs/dbraw/zinc/03/48/08/702034808.db2.gz ZEKFTBHFOFDEEB-GFCCVEGCSA-N 1 0 324.381 1.944 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@H](CO)CC2)c1 ZINC000816666762 702138455 /nfs/dbraw/zinc/13/84/55/702138455.db2.gz VJGBYJHTMGWJAC-LBPRGKRZSA-N 1 0 322.361 1.976 20 5 DDBDRO CNC(=O)c1ccc(N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)c([N+](=O)[O-])c1 ZINC000866205426 706648525 /nfs/dbraw/zinc/64/85/25/706648525.db2.gz LULDMJKBSFQFIX-QWHCGFSZSA-N 1 0 318.377 1.485 20 5 DDBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000868567914 702202364 /nfs/dbraw/zinc/20/23/64/702202364.db2.gz XBJYWAYRDZNVPW-MFKMUULPSA-N 1 0 309.341 1.827 20 5 DDBDRO Cc1nn(CN(C)C[C@@H]2CCC[N@@H+]2C)c2ncc([N+](=O)[O-])cc12 ZINC000817371665 702358941 /nfs/dbraw/zinc/35/89/41/702358941.db2.gz BQERKUSTZGFWMK-LBPRGKRZSA-N 1 0 318.381 1.631 20 5 DDBDRO Cc1n[nH]c(CC[NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])n1 ZINC000866336478 706676346 /nfs/dbraw/zinc/67/63/46/706676346.db2.gz JXKKZLTYCYYCPA-SECBINFHSA-N 1 0 307.329 1.924 20 5 DDBDRO COCCCC[N@H+](C)Cn1nc(C)c2cc([N+](=O)[O-])cnc21 ZINC000841692541 702541202 /nfs/dbraw/zinc/54/12/02/702541202.db2.gz SAUMJDFMOPRHKM-UHFFFAOYSA-N 1 0 307.354 1.964 20 5 DDBDRO [NH3+]C1CCN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000841857053 702590323 /nfs/dbraw/zinc/59/03/23/702590323.db2.gz WXEKJFSMWGNDCW-UHFFFAOYSA-N 1 0 312.757 1.881 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)CNC[C@H](O)C[NH+]2CCCCC2)c1 ZINC000843062696 702811201 /nfs/dbraw/zinc/81/12/01/702811201.db2.gz RERBHLNKBIXNKW-HOTGVXAUSA-N 1 0 323.393 1.065 20 5 DDBDRO C[NH2+]C[C@@H](C)c1nc(Cc2cc(OC)ccc2[N+](=O)[O-])no1 ZINC000843223812 702845588 /nfs/dbraw/zinc/84/55/88/702845588.db2.gz VZDJMWJEEQNOLJ-SECBINFHSA-N 1 0 306.322 1.900 20 5 DDBDRO [NH3+]Cc1ccc2c(c1)CCCN2C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000843342643 702863007 /nfs/dbraw/zinc/86/30/07/702863007.db2.gz NXZGAXJSQYRDHE-UHFFFAOYSA-N 1 0 301.306 1.370 20 5 DDBDRO C[NH2+][C@@H]1CCN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000843344561 702863299 /nfs/dbraw/zinc/86/32/99/702863299.db2.gz LGHOBLJOKUNELM-SNVBAGLBSA-N 1 0 312.757 1.480 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCC(C)([NH3+])CC1 ZINC000843468424 702888284 /nfs/dbraw/zinc/88/82/84/702888284.db2.gz SKGWXEMXWVLOBG-UHFFFAOYSA-N 1 0 306.366 1.614 20 5 DDBDRO Nc1ccc(C(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)cc1[N+](=O)[O-] ZINC000843473593 702888705 /nfs/dbraw/zinc/88/87/05/702888705.db2.gz HZMWALYAEVFPFJ-HNNXBMFYSA-N 1 0 304.350 1.393 20 5 DDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000843485713 702890889 /nfs/dbraw/zinc/89/08/89/702890889.db2.gz QJPNWFXMPSFXFR-NEPJUHHUSA-N 1 0 318.377 1.639 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H](C)CCC[NH3+])cc1[N+](=O)[O-] ZINC000843485349 702890956 /nfs/dbraw/zinc/89/09/56/702890956.db2.gz BBUXOBWJIUIULQ-QMMMGPOBSA-N 1 0 310.310 1.669 20 5 DDBDRO [NH3+]CCCCCCNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000843510138 702897247 /nfs/dbraw/zinc/89/72/47/702897247.db2.gz YEJXRHJDWIXVLW-UHFFFAOYSA-N 1 0 305.338 1.720 20 5 DDBDRO COCC[N@H+](C)CCNC(=O)c1c(C)c(F)ccc1[N+](=O)[O-] ZINC000843786249 702923659 /nfs/dbraw/zinc/92/36/59/702923659.db2.gz SQFVFYYCBNTAKX-UHFFFAOYSA-N 1 0 313.329 1.350 20 5 DDBDRO CCCN(C(=O)c1cc([N+](=O)[O-])c(F)cc1N)[C@H]1CC[N@H+](C)C1 ZINC000843990990 702949863 /nfs/dbraw/zinc/94/98/63/702949863.db2.gz ZWOWRWHRKYCSDY-JTQLQIEISA-N 1 0 324.356 1.872 20 5 DDBDRO C[NH+](C)CCCS(=O)(=O)Oc1ccc([N+](=O)[O-])cc1F ZINC000866503039 706715690 /nfs/dbraw/zinc/71/56/90/706715690.db2.gz OERAXZXIPSJGMX-UHFFFAOYSA-N 1 0 306.315 1.394 20 5 DDBDRO CC(C)C[N@H+](C)CCCNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000846292538 703262770 /nfs/dbraw/zinc/26/27/70/703262770.db2.gz WIZCHAUDIGIBAS-OAHLLOKOSA-N 1 0 323.393 1.722 20 5 DDBDRO [NH3+]CC1(CCNC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000846692855 703318634 /nfs/dbraw/zinc/31/86/34/703318634.db2.gz YVOBVMKCYLLMGX-UHFFFAOYSA-N 1 0 317.349 1.190 20 5 DDBDRO C[C@H](COC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)[NH+]1CCCCC1 ZINC000847960860 703487462 /nfs/dbraw/zinc/48/74/62/703487462.db2.gz PEUISYRFDIGRJJ-GFCCVEGCSA-N 1 0 324.381 1.944 20 5 DDBDRO Cc1nc([N+](=O)[O-])c(-c2noc([C@H]3C[C@]34CCC[NH2+]C4)n2)n1C ZINC000848626344 703569735 /nfs/dbraw/zinc/56/97/35/703569735.db2.gz BBTUDICNQOAQGX-OTYXRUKQSA-N 1 0 318.337 1.544 20 5 DDBDRO CC1(C)COCCN1CC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819013716 704051585 /nfs/dbraw/zinc/05/15/85/704051585.db2.gz GHDIPZRYERKCTE-HNNXBMFYSA-N 1 0 323.393 1.329 20 5 DDBDRO O=C1OCCN1CCC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819013294 704051669 /nfs/dbraw/zinc/05/16/69/704051669.db2.gz XITARQBFZYMHLC-ZDUSSCGKSA-N 1 0 309.322 1.060 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[NH2+]C[C@H](O)c2ccc(F)cc2F)c1 ZINC000819177852 704082258 /nfs/dbraw/zinc/08/22/58/704082258.db2.gz XGMCLVWVCDGJLC-ZDUSSCGKSA-N 1 0 312.276 1.393 20 5 DDBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H]3COC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000852664830 704096168 /nfs/dbraw/zinc/09/61/68/704096168.db2.gz DNQGDSFIORBDOF-NEPJUHHUSA-N 1 0 307.306 1.971 20 5 DDBDRO Cc1c(C(=O)N(C)CC(C)(C)[NH3+])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000852842342 704144088 /nfs/dbraw/zinc/14/40/88/704144088.db2.gz VLYRKBACWVXPJJ-UHFFFAOYSA-N 1 0 310.310 1.621 20 5 DDBDRO C[NH+](C)C[C@H]1CCN(C(=O)[C@](C)(N)c2cccc([N+](=O)[O-])c2)C1 ZINC000870928362 704172097 /nfs/dbraw/zinc/17/20/97/704172097.db2.gz FEHZBXCNWLIDLK-MLGOLLRUSA-N 1 0 320.393 1.179 20 5 DDBDRO O=C(C[NH+]1CCCC1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000820082705 704218304 /nfs/dbraw/zinc/21/83/04/704218304.db2.gz JHFZFLGUILXNGZ-LBPRGKRZSA-N 1 0 319.365 1.098 20 5 DDBDRO O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CCOC2(C[NH2+]C2)C1 ZINC000853245881 704223940 /nfs/dbraw/zinc/22/39/40/704223940.db2.gz OVXHNHFUBSDMCG-UHFFFAOYSA-N 1 0 311.725 1.063 20 5 DDBDRO COCC[N@H+]1[C@H](C)CN(c2cc[nH]c(=O)c2[N+](=O)[O-])C[C@@H]1C ZINC000853708628 704303071 /nfs/dbraw/zinc/30/30/71/704303071.db2.gz RNUHVYWMDRPBQZ-PHIMTYICSA-N 1 0 310.354 1.241 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@](O)(c3ccccc3)C2)c1 ZINC000859586997 704944326 /nfs/dbraw/zinc/94/43/26/704944326.db2.gz VYJNJWWJOWWCEC-MRXNPFEDSA-N 1 0 316.361 1.775 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000874827075 705185387 /nfs/dbraw/zinc/18/53/87/705185387.db2.gz AXDOFSOVTYSJAD-KBPBESRZSA-N 1 0 319.361 1.912 20 5 DDBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000823970658 705347622 /nfs/dbraw/zinc/34/76/22/705347622.db2.gz GTSFGJNGYMAYJE-KBPBESRZSA-N 1 0 307.350 1.229 20 5 DDBDRO O=C(NC1CC[NH+](C2CC2)CC1)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000824202098 705398129 /nfs/dbraw/zinc/39/81/29/705398129.db2.gz GFYCJFAGXKXCMP-OAHLLOKOSA-N 1 0 319.361 1.371 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000824765243 705525714 /nfs/dbraw/zinc/52/57/14/705525714.db2.gz VDFCIOMRRAQTMU-LLVKDONJSA-N 1 0 309.370 1.089 20 5 DDBDRO O=C(c1cc([N+](=O)[O-])ccc1F)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000861718170 705549975 /nfs/dbraw/zinc/54/99/75/705549975.db2.gz WMWSWAOTWQTABW-VXGBXAGGSA-N 1 0 323.324 1.015 20 5 DDBDRO C[NH+](C)C1(CNC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CCCC1 ZINC000825179155 705616801 /nfs/dbraw/zinc/61/68/01/705616801.db2.gz OCGBTBKAHOLLJU-CQSZACIVSA-N 1 0 321.377 1.619 20 5 DDBDRO C[C@@H]1C[N@H+](CCO)CCN1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000825338833 705650178 /nfs/dbraw/zinc/65/01/78/705650178.db2.gz VEKDLSISGNKVHT-LLVKDONJSA-N 1 0 313.785 1.747 20 5 DDBDRO CC(C)[C@H](C[NH+](C)C)NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825891914 705742696 /nfs/dbraw/zinc/74/26/96/705742696.db2.gz XKAFJGXRSNXFSW-KBPBESRZSA-N 1 0 309.366 1.331 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000876543720 705752863 /nfs/dbraw/zinc/75/28/63/705752863.db2.gz NLLOBAIPSGNCCY-WCQYABFASA-N 1 0 307.350 1.400 20 5 DDBDRO Nc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000863032900 705852602 /nfs/dbraw/zinc/85/26/02/705852602.db2.gz QVVATGIPHMILRV-LLVKDONJSA-N 1 0 319.365 1.319 20 5 DDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C3CCN(C4CC4)CC3)C2)c1 ZINC000876909441 705919219 /nfs/dbraw/zinc/91/92/19/705919219.db2.gz YWEKBBAJOLEASF-UHFFFAOYSA-N 1 0 305.382 1.711 20 5 DDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@H]3CCN4CCCC[C@H]34)C2)c1 ZINC000876935840 705929827 /nfs/dbraw/zinc/92/98/27/705929827.db2.gz RSPZKJAHXJSICT-CXTZMWEQSA-N 1 0 305.382 1.711 20 5 DDBDRO COc1cccc(C(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000827266001 705963575 /nfs/dbraw/zinc/96/35/75/705963575.db2.gz JKJMPYWRRUFQBX-YPMHNXCESA-N 1 0 319.361 1.770 20 5 DDBDRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)c1c(Cl)cccc1[N+](=O)[O-])C2 ZINC000877373865 706084981 /nfs/dbraw/zinc/08/49/81/706084981.db2.gz MOWOKYQQCAGYBP-LKFCYVNXSA-N 1 0 309.753 1.930 20 5 DDBDRO CC(C)(C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000877376530 706086171 /nfs/dbraw/zinc/08/61/71/706086171.db2.gz JEQRRXCHFKXJAW-SUMWQHHRSA-N 1 0 317.389 1.940 20 5 DDBDRO CN(CC(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2)c1ccccc1[N+](=O)[O-] ZINC000877395556 706094701 /nfs/dbraw/zinc/09/47/01/706094701.db2.gz ZOSCNHKFENXIQZ-GOEBONIOSA-N 1 0 318.377 1.432 20 5 DDBDRO C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC000827977543 706098333 /nfs/dbraw/zinc/09/83/33/706098333.db2.gz MVCIXDSJPSUCKU-OKILXGFUSA-N 1 0 321.352 1.972 20 5 DDBDRO C[C@@H]1C[C@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)c2nccn21 ZINC000877570804 706146024 /nfs/dbraw/zinc/14/60/24/706146024.db2.gz TUUUUZVJKXNAAM-PGHLRGPGSA-N 1 0 302.338 1.987 20 5 DDBDRO Cc1ccc(NC(=O)/C=C/CN2CCOCC2)cc1[N+](=O)[O-] ZINC000864404568 706158368 /nfs/dbraw/zinc/15/83/68/706158368.db2.gz GPWJFJKMXKLASO-NSCUHMNNSA-N 1 0 305.334 1.730 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000877719024 706187996 /nfs/dbraw/zinc/18/79/96/706187996.db2.gz DCBGCJCZTBBMIM-BETUJISGSA-N 1 0 317.345 1.258 20 5 DDBDRO COC(=O)C1CC([NH2+]Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000877721493 706189259 /nfs/dbraw/zinc/18/92/59/706189259.db2.gz POQMVIVTXKVQCD-UHFFFAOYSA-N 1 0 324.333 1.653 20 5 DDBDRO C[C@H]1C[C@H]([NH3+])CN1C(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000864615295 706214087 /nfs/dbraw/zinc/21/40/87/706214087.db2.gz BIUKSEIGQGIWRO-IUCAKERBSA-N 1 0 315.276 1.515 20 5 DDBDRO CC(C)(Cn1cc(C[C@@H]([NH3+])Cc2ccccc2)nn1)[N+](=O)[O-] ZINC000864642810 706223155 /nfs/dbraw/zinc/22/31/55/706223155.db2.gz WJIJRULOILWZLR-ZDUSSCGKSA-N 1 0 303.366 1.446 20 5 DDBDRO CS[C@H]1CC[C@H]1[NH2+][C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000877831791 706226891 /nfs/dbraw/zinc/22/68/91/706226891.db2.gz ZDCQTSXYHUQXBY-YIYPIFLZSA-N 1 0 312.391 1.473 20 5 DDBDRO C[NH+](C)[C@H](CNC(=O)Cc1cccc(F)c1[N+](=O)[O-])C1CC1 ZINC000864939630 706306639 /nfs/dbraw/zinc/30/66/39/706306639.db2.gz DXDQGOLNUMXHAQ-CYBMUJFWSA-N 1 0 309.341 1.733 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)CC[NH+](C)C)cc1F ZINC000866905961 706841200 /nfs/dbraw/zinc/84/12/00/706841200.db2.gz AVLMEVRRFGYAQY-UHFFFAOYSA-N 1 0 319.358 1.224 20 5 DDBDRO Cn1cc(CN2CCC[C@H]([NH2+]C3CCOCC3)C2)c([N+](=O)[O-])n1 ZINC000880201952 706908998 /nfs/dbraw/zinc/90/89/98/706908998.db2.gz DJZYDBZVXIJABR-AWEZNQCLSA-N 1 0 323.397 1.061 20 5 DDBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872152329 707304746 /nfs/dbraw/zinc/30/47/46/707304746.db2.gz PDGKGEYWYDOHFS-BFQNTYOBSA-N 1 0 318.377 1.463 20 5 DDBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872152955 707306032 /nfs/dbraw/zinc/30/60/32/707306032.db2.gz XNZRDXKMEGIYHO-MQIPJXDCSA-N 1 0 318.377 1.463 20 5 DDBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](O)c1ccnn1C ZINC000927131446 712945821 /nfs/dbraw/zinc/94/58/21/712945821.db2.gz IPGPGDJRZJGGNP-WBMJQRKESA-N 1 0 318.377 1.973 20 5 DDBDRO C[N@H+](CCNc1ccc([N+](=O)[O-])cc1Cl)CCOCCO ZINC000882952081 707868366 /nfs/dbraw/zinc/86/83/66/707868366.db2.gz HXXDLWBEJKEYIZ-UHFFFAOYSA-N 1 0 317.773 1.601 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)c1 ZINC000897218134 708256412 /nfs/dbraw/zinc/25/64/12/708256412.db2.gz BCLCBHKBTOAKAM-ZIAGYGMSSA-N 1 0 321.377 1.639 20 5 DDBDRO O=C1NCCN1CC[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000886745350 708833599 /nfs/dbraw/zinc/83/35/99/708833599.db2.gz UZGWXLACSYZTCO-HNNXBMFYSA-N 1 0 318.377 1.977 20 5 DDBDRO [NH3+]C[C@H]1CN(Cc2cccnc2[N+](=O)[O-])C[C@H]1C(F)(F)F ZINC000886841175 708859444 /nfs/dbraw/zinc/85/94/44/708859444.db2.gz DNMVZMRAUNDPDS-VHSXEESVSA-N 1 0 304.272 1.559 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H]1C[C@@H]([NH+](C)C)C12CCC2 ZINC000898842709 708886795 /nfs/dbraw/zinc/88/67/95/708886795.db2.gz XDPLACJXKHULKT-VXGBXAGGSA-N 1 0 321.381 1.089 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@@H](O)COCC2CC2)cc1 ZINC000912762132 713087693 /nfs/dbraw/zinc/08/76/93/713087693.db2.gz BXZDZTZDDGGZSK-HUUCEWRRSA-N 1 0 310.350 1.005 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCCN2CC[NH+](C)CC2)c1C ZINC000900043749 709274978 /nfs/dbraw/zinc/27/49/78/709274978.db2.gz RBKUCRFIRCEKNC-UHFFFAOYSA-N 1 0 320.393 1.189 20 5 DDBDRO C[C@@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)c1c([N+](=O)[O-])cnn1C ZINC000912808937 713098252 /nfs/dbraw/zinc/09/82/52/713098252.db2.gz BXOVKSVFTOCWPS-NWDGAFQWSA-N 1 0 323.397 1.521 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCC([NH2+]C2CCC2)CC1 ZINC000889816924 709646758 /nfs/dbraw/zinc/64/67/58/709646758.db2.gz OEMAGAGJAUXAFU-UHFFFAOYSA-N 1 0 321.381 1.233 20 5 DDBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912925287 713126737 /nfs/dbraw/zinc/12/67/37/713126737.db2.gz GEGPFHRCKHORAN-ZDUSSCGKSA-N 1 0 321.402 1.994 20 5 DDBDRO CC[N@@H+]1CCCN(C(=O)CCn2cc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000910286604 709866945 /nfs/dbraw/zinc/86/69/45/709866945.db2.gz HICPOSWXEFAJJG-LBPRGKRZSA-N 1 0 309.370 1.124 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@]2(C)C[NH+]3CCC2CC3)c1 ZINC000892791469 710500236 /nfs/dbraw/zinc/50/02/36/710500236.db2.gz LFQZCGIOTYDSDN-MRXNPFEDSA-N 1 0 319.361 1.818 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CC[N@H+](C)[C@H]1C ZINC000928438954 713196440 /nfs/dbraw/zinc/19/64/40/713196440.db2.gz VFZNLKJHLJPXBT-QWRGUYRKSA-N 1 0 307.350 1.816 20 5 DDBDRO COc1c(O)ccc(C[N@@H+]2CCC[C@@H]([C@H](C)O)C2)c1[N+](=O)[O-] ZINC000893418028 710644732 /nfs/dbraw/zinc/64/47/32/710644732.db2.gz NZBVVBPIHICVAZ-WDEREUQCSA-N 1 0 310.350 1.902 20 5 DDBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)n1 ZINC000902469016 710763500 /nfs/dbraw/zinc/76/35/00/710763500.db2.gz NOAIUIDKPKGYHQ-VJTDZRGJSA-N 1 0 305.382 1.758 20 5 DDBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000893872090 710867531 /nfs/dbraw/zinc/86/75/31/710867531.db2.gz OTEFATSXMQYBFE-GFCCVEGCSA-N 1 0 306.366 1.485 20 5 DDBDRO O=C(CCc1cc(F)ccc1[N+](=O)[O-])NCC[C@H]1CC[NH2+]C1 ZINC000911765558 710972922 /nfs/dbraw/zinc/97/29/22/710972922.db2.gz BWQYSHITMAYVNJ-LLVKDONJSA-N 1 0 309.341 1.782 20 5 DDBDRO COc1cc([C@H](C)[NH2+]CCN2CC[C@@H](O)C2)cc([N+](=O)[O-])c1 ZINC000903206668 711064531 /nfs/dbraw/zinc/06/45/31/711064531.db2.gz LWSCCXWDWCMLQL-SMDDNHRTSA-N 1 0 309.366 1.321 20 5 DDBDRO COc1c(O)ccc(C[N@@H+]2CCC[C@@H](CO)CC2)c1[N+](=O)[O-] ZINC000894650558 711229152 /nfs/dbraw/zinc/22/91/52/711229152.db2.gz XTBYKBLQKMQASZ-LLVKDONJSA-N 1 0 310.350 1.903 20 5 DDBDRO COc1ccc(OCCN2CC[C@H]3CC[C@@]32C[NH3+])c([N+](=O)[O-])c1 ZINC000903855083 711303955 /nfs/dbraw/zinc/30/39/55/711303955.db2.gz LGTDNVWTMXXQGX-MLGOLLRUSA-N 1 0 321.377 1.795 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC[C@]23CC[NH2+]C3)c1 ZINC000903869058 711309615 /nfs/dbraw/zinc/30/96/15/711309615.db2.gz AHBZRWWXGOCKKO-GDBMZVCRSA-N 1 0 321.377 1.162 20 5 DDBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H]1C[NH2+]C[C@H]1C ZINC000903963695 711349573 /nfs/dbraw/zinc/34/95/73/711349573.db2.gz GBXORPGLDZZDFR-JTNHKYCSSA-N 1 0 306.366 1.509 20 5 DDBDRO O=[N+]([O-])c1cc(CN[C@@H]2C[NH2+]CC3(CCOCC3)C2)cs1 ZINC000903973184 711353506 /nfs/dbraw/zinc/35/35/06/711353506.db2.gz AOGMUFWNJVWPOV-LBPRGKRZSA-N 1 0 311.407 1.905 20 5 DDBDRO CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000895486820 711524943 /nfs/dbraw/zinc/52/49/43/711524943.db2.gz JMTWTBFIUKGBMF-CQSZACIVSA-N 1 0 320.393 1.996 20 5 DDBDRO O=C1C[C@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CN1CC1CC1 ZINC000895718587 711587125 /nfs/dbraw/zinc/58/71/25/711587125.db2.gz ZDUPWIFFKDMESX-CPCZMJQVSA-N 1 0 319.365 1.095 20 5 DDBDRO C[C@H]1[C@H](Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC[N@@H+]1C ZINC000895737876 711591218 /nfs/dbraw/zinc/59/12/18/711591218.db2.gz GDCHUZWKTVPIMR-GXSJLCMTSA-N 1 0 304.350 1.984 20 5 DDBDRO O=C(CCNc1ccccc1[N+](=O)[O-])NC12CC[NH+](CC1)C2 ZINC000913627168 713271638 /nfs/dbraw/zinc/27/16/38/713271638.db2.gz XJPVCJMIZYYIGH-UHFFFAOYSA-N 1 0 304.350 1.361 20 5 DDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[NH2+]C[C@@H]1COC ZINC000904485007 711863058 /nfs/dbraw/zinc/86/30/58/711863058.db2.gz IZVMSOZAMCPTAA-CYBMUJFWSA-N 1 0 322.365 1.609 20 5 DDBDRO CC(C)(C)OC(=O)N1CCC[C@@](C)(C[NH2+]CC[N+](=O)[O-])C1 ZINC000905209644 711968645 /nfs/dbraw/zinc/96/86/45/711968645.db2.gz REWTZVPWFYWYTR-AWEZNQCLSA-N 1 0 301.387 1.890 20 5 DDBDRO O=[N+]([O-])CC[NH2+][C@H]1CCN(c2cccc(Br)c2)C1 ZINC000905236864 711976428 /nfs/dbraw/zinc/97/64/28/711976428.db2.gz GCVIAJHQWMPQHF-NSHDSACASA-N 1 0 314.183 1.894 20 5 DDBDRO Cc1cc(CC[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)nn1C ZINC000905562168 712078618 /nfs/dbraw/zinc/07/86/18/712078618.db2.gz VMCUYYFNDIPEGN-HNNXBMFYSA-N 1 0 304.350 1.502 20 5 DDBDRO COCC[N@H+](C)CCCNc1ccc([N+](=O)[O-])c2nonc21 ZINC000915213006 713412901 /nfs/dbraw/zinc/41/29/01/713412901.db2.gz PHQZVVCITWOBNP-UHFFFAOYSA-N 1 0 309.326 1.511 20 5 DDBDRO C[NH+]1CCC(OCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000929803334 713693331 /nfs/dbraw/zinc/69/33/31/713693331.db2.gz VHDAVXNMWDUDEM-UHFFFAOYSA-N 1 0 319.361 1.595 20 5 DDBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000931046141 713990035 /nfs/dbraw/zinc/99/00/35/713990035.db2.gz HNMRHUFNWZRJOR-NHYWBVRUSA-N 1 0 321.377 1.986 20 5 DDBDRO CCOC(=O)[C@@H]1[C@@H]2CC[N@H+](CCn3c(C)ncc3[N+](=O)[O-])C[C@@H]21 ZINC000932057075 714248404 /nfs/dbraw/zinc/24/84/04/714248404.db2.gz JCVQPTGGGVYBAZ-MBNYWOFBSA-N 1 0 322.365 1.231 20 5 DDBDRO Cn1ccc([C@H]2CCC[N@H+](CCn3cc([N+](=O)[O-])cn3)C2)n1 ZINC000932133029 714267773 /nfs/dbraw/zinc/26/77/73/714267773.db2.gz NRKFHUUPRUPKFJ-LBPRGKRZSA-N 1 0 304.354 1.404 20 5 DDBDRO COc1cccc(C(=O)N2[C@@H]3CC[C@H]2C[N@H+](C)CC3)c1[N+](=O)[O-] ZINC000923268988 714290998 /nfs/dbraw/zinc/29/09/98/714290998.db2.gz ISIYLWPUAARCTN-NEPJUHHUSA-N 1 0 319.361 1.912 20 5 DDBDRO C[NH2+]C[C@@H]1CCCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000923281114 714295701 /nfs/dbraw/zinc/29/57/01/714295701.db2.gz DTGMELIDBOCADU-ZFWWWQNUSA-N 1 0 323.393 1.266 20 5 DDBDRO C[C@@H]1CN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000923288129 714298809 /nfs/dbraw/zinc/29/88/09/714298809.db2.gz ZQOPOLUQTXGOMM-FRRDWIJNSA-N 1 0 309.366 1.017 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000923364387 714328700 /nfs/dbraw/zinc/32/87/00/714328700.db2.gz NDLUESWARLKBGO-MJBXVCDLSA-N 1 0 321.377 1.161 20 5 DDBDRO CCC1(CC)CNC(=O)[C@H]1[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000933289050 714555199 /nfs/dbraw/zinc/55/51/99/714555199.db2.gz IWKNGFTZOGZVCE-CQSZACIVSA-N 1 0 321.377 1.998 20 5 DDBDRO CCC1(CC)CNC(=O)[C@@H]1[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000933290181 714555414 /nfs/dbraw/zinc/55/54/14/714555414.db2.gz PGLPNGKWWZREKT-AWEZNQCLSA-N 1 0 321.377 1.868 20 5 DDBDRO O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@H]3[C@@H]2CCCN3CCO)cc1 ZINC000934259196 714778267 /nfs/dbraw/zinc/77/82/67/714778267.db2.gz HHRNWSJIZRUSNC-IRXDYDNUSA-N 1 0 319.405 1.668 20 5 DDBDRO O=[N+]([O-])c1cc(F)ccc1CN1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000934272212 714783263 /nfs/dbraw/zinc/78/32/63/714783263.db2.gz IISXQMYKXHFQDK-GJZGRUSLSA-N 1 0 323.368 1.765 20 5 DDBDRO C[NH+]1CCC(ONC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC000935842429 715132092 /nfs/dbraw/zinc/13/20/92/715132092.db2.gz RALFZVGMSBQLBQ-HUUCEWRRSA-N 1 0 319.361 1.840 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(N2CCN3CC[NH2+]C[C@@H]3C2)nc1Cl ZINC001164398610 718832085 /nfs/dbraw/zinc/83/20/85/718832085.db2.gz HORRIOMCYMWMFZ-SNVBAGLBSA-N 1 0 311.773 1.045 20 5 DDBDRO CC[NH+](CC)C1CCN(c2ncnc(OC)c2[N+](=O)[O-])CC1 ZINC001165053909 722002937 /nfs/dbraw/zinc/00/29/37/722002937.db2.gz RTTUZXUIMZMEBU-UHFFFAOYSA-N 1 0 309.370 1.704 20 5 DDBDRO COc1ncnc(-n2ccnc2[C@H]2CCC[NH2+]C2)c1[N+](=O)[O-] ZINC001167057707 732369587 /nfs/dbraw/zinc/36/95/87/732369587.db2.gz VPNADCWRKRTTHU-VIFPVBQESA-N 1 0 304.310 1.046 20 5 DDBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)c1ccc[nH]1 ZINC001021830762 733605631 /nfs/dbraw/zinc/60/56/31/733605631.db2.gz XXBWBJDSNJQDRE-BETUJISGSA-N 1 0 314.345 1.974 20 5 DDBDRO Cc1ccc(C)c(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c1 ZINC001022061367 734366790 /nfs/dbraw/zinc/36/67/90/734366790.db2.gz FHLCJGYUEJEFAD-QKPAOTATSA-N 1 0 317.389 1.705 20 5 DDBDRO O=C(N[C@H]1C[C@@H]([NH2+]CC2CCCCCC2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001022064126 734369115 /nfs/dbraw/zinc/36/91/15/734369115.db2.gz XHCLNTNKLSPGPA-LXTVHRRPSA-N 1 0 309.410 1.859 20 5 DDBDRO Cc1c[nH]nc1C(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001126852034 742379527 /nfs/dbraw/zinc/37/95/27/742379527.db2.gz JTHCDICWVFQBQL-UHFFFAOYSA-N 1 0 309.351 1.207 20 5 DDBDRO Cc1cc(Cl)ccc1C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126932388 742777140 /nfs/dbraw/zinc/77/71/40/742777140.db2.gz VNNWQNKHDWHUKR-CHWSQXEVSA-N 1 0 311.769 1.519 20 5 DDBDRO Cc1cc(-n2ccnc2C(N)=[NH2+])nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001168409910 744145690 /nfs/dbraw/zinc/14/56/90/744145690.db2.gz IUNPLZNYLGYZGZ-UHFFFAOYSA-N 1 0 323.316 1.830 20 5 DDBDRO NC(=[NH2+])c1nccn1-c1nc2cc([N+](=O)[O-])ccc2nc1Cl ZINC001168410943 744164998 /nfs/dbraw/zinc/16/49/98/744164998.db2.gz BDOGZRGFLUVKBR-UHFFFAOYSA-N 1 0 317.696 1.661 20 5 DDBDRO CCN(CCNc1ncccc1[N+](=O)[O-])C(=O)CC[N@H+](C)CC ZINC001106841342 746434084 /nfs/dbraw/zinc/43/40/84/746434084.db2.gz DFIQWORJDSMGCP-UHFFFAOYSA-N 1 0 323.397 1.592 20 5 DDBDRO COc1ccc(OCC[N@@H+]2[C@H](C)CC[C@@H]2CO)c([N+](=O)[O-])c1 ZINC001197334913 747141299 /nfs/dbraw/zinc/14/12/99/747141299.db2.gz FGFWJJPFGLPOGG-VXGBXAGGSA-N 1 0 310.350 1.827 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC001197739738 747255513 /nfs/dbraw/zinc/25/55/13/747255513.db2.gz QIRRRIFZUGCELZ-UKTARXLSSA-N 1 0 322.361 1.037 20 5 DDBDRO CS(=O)(=O)N(CC[NH3+])c1cc(Cl)ccc1/C=C/[N+](=O)[O-] ZINC001162131447 748640175 /nfs/dbraw/zinc/64/01/75/748640175.db2.gz VRLAXYODISJDGV-GQCTYLIASA-N 1 0 319.770 1.312 20 5 DDBDRO CC[NH+](CC)CC(=O)NCCN(C)c1ccc([N+](=O)[O-])cc1 ZINC001100121373 761912813 /nfs/dbraw/zinc/91/28/13/761912813.db2.gz VWACQFCMGIZDQH-UHFFFAOYSA-N 1 0 308.382 1.489 20 5 DDBDRO CCC[N@H+](C)CC(=O)NC/C=C/CNc1ccc([N+](=O)[O-])cn1 ZINC001107280247 749726222 /nfs/dbraw/zinc/72/62/22/749726222.db2.gz KCPOKOSXAZUPNK-SNAWJCMRSA-N 1 0 321.381 1.416 20 5 DDBDRO Cc1nocc1C[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001005376255 749917050 /nfs/dbraw/zinc/91/70/50/749917050.db2.gz RFPMHFLFBZUJOT-ZIAGYGMSSA-N 1 0 322.365 1.071 20 5 DDBDRO O=C(NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccncn1 ZINC001168803630 762039398 /nfs/dbraw/zinc/03/93/98/762039398.db2.gz AVGDGZBLPLYOPI-UHFFFAOYSA-N 1 0 315.333 1.295 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]CC1CCN(C(=O)C2CC2)CC1 ZINC000997459011 750938640 /nfs/dbraw/zinc/93/86/40/750938640.db2.gz NMFXTFKCTLZDMT-UHFFFAOYSA-N 1 0 321.381 1.067 20 5 DDBDRO CN(Cc1ccccc1)C(=O)C[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168966494 762157635 /nfs/dbraw/zinc/15/76/35/762157635.db2.gz IOWHUBFOCHYKGQ-HUUCEWRRSA-N 1 0 305.378 1.680 20 5 DDBDRO COC(=O)[C@H](O)[C@@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccccc1 ZINC001168967941 762158622 /nfs/dbraw/zinc/15/86/22/762158622.db2.gz UXQFWNCEXNIVTF-REBRKWNGSA-N 1 0 322.361 1.297 20 5 DDBDRO CCOC(=O)c1ccnc(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001168969484 762158660 /nfs/dbraw/zinc/15/86/60/762158660.db2.gz FBAIKTQMOAFMMM-DGCLKSJQSA-N 1 0 307.350 1.793 20 5 DDBDRO O=C(N[C@H]1CC[C@H]([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1)C1CC1 ZINC001168997870 762169889 /nfs/dbraw/zinc/16/98/89/762169889.db2.gz GCROBWZZWRJODV-CYUUQNCZSA-N 1 0 309.410 1.859 20 5 DDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+][C@@H]2CCN(CC3CCOCC3)C2)C1 ZINC001168997111 762170199 /nfs/dbraw/zinc/17/01/99/762170199.db2.gz XUICQBTYDQSSRB-ARFHVFGLSA-N 1 0 311.426 1.522 20 5 DDBDRO CCC1([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CCS(=O)(=O)CC1 ZINC001168998645 762170620 /nfs/dbraw/zinc/17/06/20/762170620.db2.gz PGVRRUBMTDEQDE-RYUDHWBXSA-N 1 0 304.412 1.379 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2cn(CC(F)(F)F)cn2)C1 ZINC001168998278 762170763 /nfs/dbraw/zinc/17/07/63/762170763.db2.gz KTHYMDCNTVELMY-ZJUUUORDSA-N 1 0 306.288 1.980 20 5 DDBDRO CCN1CC[C@]2(CCC[N@@H+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)C2)C1=O ZINC001169019200 762199465 /nfs/dbraw/zinc/19/94/65/762199465.db2.gz FNZDXYVVUCRQKA-DZKIICNBSA-N 1 0 309.410 1.766 20 5 DDBDRO [NH3+][C@@H](CO)Cc1cncn1-c1nccc2c1cccc2[N+](=O)[O-] ZINC001169067368 762217686 /nfs/dbraw/zinc/21/76/86/762217686.db2.gz QZXFRYSZSQXPPK-SNVBAGLBSA-N 1 0 313.317 1.191 20 5 DDBDRO COC(=O)c1cc(C)nc(-n2ccc([C@H](C)[NH3+])n2)c1[N+](=O)[O-] ZINC001169230729 762292195 /nfs/dbraw/zinc/29/21/95/762292195.db2.gz BBOBPQXXXOJWBJ-QMMMGPOBSA-N 1 0 305.294 1.290 20 5 DDBDRO C[NH+](C)CCC(=O)N[C@H]1C[C@@H](Nc2ccc(F)cc2[N+](=O)[O-])C1 ZINC001097251714 757035373 /nfs/dbraw/zinc/03/53/73/757035373.db2.gz IWKUHXICQAENLC-TXEJJXNPSA-N 1 0 324.356 1.745 20 5 DDBDRO C[NH+](C)C1(C)CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000823653278 758332922 /nfs/dbraw/zinc/33/29/22/758332922.db2.gz BJLONVBSDLAZPX-UHFFFAOYSA-N 1 0 306.366 1.733 20 5 DDBDRO C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000823753931 758348235 /nfs/dbraw/zinc/34/82/35/758348235.db2.gz CYCZGMZRZDWOBB-TXEJJXNPSA-N 1 0 314.345 1.995 20 5 DDBDRO [NH3+]Cc1cn(C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)cn1 ZINC001154907132 759444222 /nfs/dbraw/zinc/44/42/22/759444222.db2.gz VZWZSTNVPATZII-UHFFFAOYSA-N 1 0 303.656 1.896 20 5 DDBDRO C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1F)[C@H]1C[N@H+](C)CCN1C ZINC000829037765 759863912 /nfs/dbraw/zinc/86/39/12/759863912.db2.gz MIXZTHJYWZHKFB-QMTHXVAHSA-N 1 0 324.356 1.098 20 5 DDBDRO Cc1nsc(C)c1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001020139100 760613140 /nfs/dbraw/zinc/61/31/40/760613140.db2.gz QNABSTYGPUJQLK-PRULPYPASA-N 1 0 324.406 1.162 20 5 DDBDRO O=C(CCc1ccon1)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001131342588 767999901 /nfs/dbraw/zinc/99/99/01/767999901.db2.gz CBQDHPIHRBURGI-UHFFFAOYSA-N 1 0 324.362 1.483 20 5 DDBDRO CC(C)=CC[NH+]1CCC(C2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CC1 ZINC001000148662 761541702 /nfs/dbraw/zinc/54/17/02/761541702.db2.gz JJXYGOVRASQYJI-HUUCEWRRSA-N 1 0 321.421 1.979 20 5 DDBDRO CCOC(=O)c1cc(NC[C@H]2COCC[NH2+]2)ccc1[N+](=O)[O-] ZINC001170047848 764394790 /nfs/dbraw/zinc/39/47/90/764394790.db2.gz TUQXKVFRPAWXCZ-NSHDSACASA-N 1 0 309.322 1.172 20 5 DDBDRO C[C@@H](Nc1ccc2ncccc2c1[N+](=O)[O-])[C@H]1C[NH2+]CCO1 ZINC001170576262 768249384 /nfs/dbraw/zinc/24/93/84/768249384.db2.gz ZOOUQTOLUYAFDI-QMTHXVAHSA-N 1 0 302.334 1.932 20 5 DDBDRO COc1ccc(C[C@@H](C)[NH2+]CCN2CCOCC2)c([N+](=O)[O-])c1 ZINC001170295540 766225832 /nfs/dbraw/zinc/22/58/32/766225832.db2.gz UTFXRCGFINOKMC-CYBMUJFWSA-N 1 0 323.393 1.456 20 5 DDBDRO COc1ccc(C[C@H](C)[N@@H+]2CCOC[C@](C)(O)C2)c([N+](=O)[O-])c1 ZINC001170335722 766257704 /nfs/dbraw/zinc/25/77/04/766257704.db2.gz QPIBKPMOHIEPAV-BLLLJJGKSA-N 1 0 324.377 1.618 20 5 DDBDRO COc1ccc(C[C@@H](C)N2CCN(CC[NH3+])CC2)c([N+](=O)[O-])c1 ZINC001170308150 766259380 /nfs/dbraw/zinc/25/93/80/766259380.db2.gz LHYWJDMUBQSMRK-CYBMUJFWSA-N 1 0 322.409 1.111 20 5 DDBDRO CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[NH+](Cc2ccccc2)CC1 ZINC001045436430 766306601 /nfs/dbraw/zinc/30/66/01/766306601.db2.gz RAZGNLWQTNCMCS-HUUCEWRRSA-N 1 0 317.389 1.823 20 5 DDBDRO O=C(NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccsn1 ZINC001130095631 767258527 /nfs/dbraw/zinc/25/85/27/767258527.db2.gz MGYIBSBXGJFWKA-UHFFFAOYSA-N 1 0 306.347 1.571 20 5 DDBDRO CCn1ccc(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])n1 ZINC001134773544 771168558 /nfs/dbraw/zinc/16/85/58/771168558.db2.gz QISBOHHQMCQYGA-UHFFFAOYSA-N 1 0 317.349 1.331 20 5 DDBDRO CCc1n[nH]c(C(=O)NC[C@@]23CC[N@H+](C2)CCC3)c1[N+](=O)[O-] ZINC001144050855 772382428 /nfs/dbraw/zinc/38/24/28/772382428.db2.gz TXXLRRBVLOBJIK-CQSZACIVSA-N 1 0 307.354 1.096 20 5 DDBDRO C[NH+](C)CCCC(=O)NCCNc1ccc(F)cc1[N+](=O)[O-] ZINC001094094732 775428338 /nfs/dbraw/zinc/42/83/38/775428338.db2.gz ZCQZAHCVFJZJGH-UHFFFAOYSA-N 1 0 312.345 1.604 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3N)CC[C@H]21 ZINC001171815428 776482437 /nfs/dbraw/zinc/48/24/37/776482437.db2.gz VUEBVRQGQAEVSM-QMTHXVAHSA-N 1 0 304.350 1.343 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@@H](CO)[C@H]1CCOC1)CC2 ZINC001172901051 776914988 /nfs/dbraw/zinc/91/49/88/776914988.db2.gz FVYKNQMFYWRFEV-UXLLHSPISA-N 1 0 320.389 1.829 20 5 DDBDRO O=C1C[C@@H](C[NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCN1 ZINC001172896700 776929046 /nfs/dbraw/zinc/92/90/46/776929046.db2.gz RHDIVAMLJCACMJ-SWLSCSKDSA-N 1 0 317.389 1.958 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CCNC(C)=O)c1F ZINC001173175012 777034537 /nfs/dbraw/zinc/03/45/37/777034537.db2.gz INZZAEBVFCTPPJ-VIFPVBQESA-N 1 0 313.329 1.399 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@@H]2COC[C@@H]2F)c1F ZINC001173187140 777036349 /nfs/dbraw/zinc/03/63/49/777036349.db2.gz XUPKRHOUANDFQD-INTQDDNPSA-N 1 0 316.304 2.000 20 5 DDBDRO CCC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001101541838 777232084 /nfs/dbraw/zinc/23/20/84/777232084.db2.gz XFZRLYHHMSKQQS-ZIAGYGMSSA-N 1 0 311.426 1.916 20 5 DDBDRO CC[NH+](CC)CC(=O)N(C)CCNc1ccc([N+](=O)[O-])cn1 ZINC001101628408 777322911 /nfs/dbraw/zinc/32/29/11/777322911.db2.gz HMXWCZYHVRSSOQ-UHFFFAOYSA-N 1 0 309.370 1.202 20 5 DDBDRO Cn1ccc(C(=O)NCCC[NH2+]Cc2csc([N+](=O)[O-])c2)n1 ZINC001176072108 778011231 /nfs/dbraw/zinc/01/12/31/778011231.db2.gz LMAGLAYHIOMRPM-UHFFFAOYSA-N 1 0 323.378 1.300 20 5 DDBDRO C[NH+]1CCN(C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001116067363 780472382 /nfs/dbraw/zinc/47/23/82/780472382.db2.gz SVDMEZXOBBMBHT-UHFFFAOYSA-N 1 0 320.393 1.351 20 5 DDBDRO C[NH2+][C@H](C)CCNC(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC001118032544 780996635 /nfs/dbraw/zinc/99/66/35/780996635.db2.gz RKSWYTSBSMYASM-SNVBAGLBSA-N 1 0 310.354 1.401 20 5 DDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[C@H](C)[NH2+]C ZINC001118176033 781053270 /nfs/dbraw/zinc/05/32/70/781053270.db2.gz GRHVGYFGZVZQNV-JTQLQIEISA-N 1 0 315.395 1.434 20 5 DDBDRO C[NH+](C)CCOc1cc(NCc2cncnc2)ccc1[N+](=O)[O-] ZINC001167265939 836305706 /nfs/dbraw/zinc/30/57/06/836305706.db2.gz AQBAGVYTJZWIGC-UHFFFAOYSA-N 1 0 317.349 1.937 20 5 DDBDRO CN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cnccn1 ZINC001266629395 836560835 /nfs/dbraw/zinc/56/08/35/836560835.db2.gz CDAMBQHLTUASFS-UHFFFAOYSA-N 1 0 315.333 1.247 20 5 DDBDRO C[NH+](C)C[C@@H]1COCCN1c1ncc([N+](=O)[O-])cc1Cl ZINC001154962447 861605558 /nfs/dbraw/zinc/60/55/58/861605558.db2.gz SENALWJEKTXADG-SNVBAGLBSA-N 1 0 300.746 1.410 20 5 DDBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CCOCCCO)n1 ZINC000353980027 847947458 /nfs/dbraw/zinc/94/74/58/847947458.db2.gz TVOXKNLNGSWIHE-STQMWFEESA-N 1 0 312.370 1.264 20 5 DDBDRO CCOC1(OCC)CC[NH2+]C[C@H]1Nc1cc([N+](=O)[O-])ccn1 ZINC001155224553 861860781 /nfs/dbraw/zinc/86/07/81/861860781.db2.gz IDCVUQVQDASLBH-GFCCVEGCSA-N 1 0 310.354 1.533 20 5 DDBDRO COC(=O)[C@@H](Nc1nccc2cc([N+](=O)[O-])ccc21)C(C)(C)[NH3+] ZINC001155377463 862013729 /nfs/dbraw/zinc/01/37/29/862013729.db2.gz FGZDJQONRWHTTF-GFCCVEGCSA-N 1 0 318.333 1.834 20 5 DDBDRO Nc1cc(NC[C@H]2CCC3(CC[NH2+]CC3)CO2)ncc1[N+](=O)[O-] ZINC001155384123 862022822 /nfs/dbraw/zinc/02/28/22/862022822.db2.gz QHPQCCDGMVNOEQ-LLVKDONJSA-N 1 0 321.381 1.533 20 5 DDBDRO Cc1nc(NCC[C@@H]2C[NH2+]Cc3cccn3C2)ncc1[N+](=O)[O-] ZINC001155463779 862115405 /nfs/dbraw/zinc/11/54/05/862115405.db2.gz XABMNIDZKWGOCC-GFCCVEGCSA-N 1 0 316.365 1.716 20 5 DDBDRO CC[C@@H]1[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CCC[C@]12CCC(=O)N2 ZINC001169021520 850518388 /nfs/dbraw/zinc/51/83/88/850518388.db2.gz LGKQCJPNRMFIDS-YXWQFLTLSA-N 1 0 309.410 1.955 20 5 DDBDRO CN(CCC[N@H+](C)CC1CC(F)(F)C1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001273507571 851038913 /nfs/dbraw/zinc/03/89/13/851038913.db2.gz FQXUJRATGWKAKR-VXGBXAGGSA-N 1 0 319.352 1.477 20 5 DDBDRO Cc1ccc(F)c(C[NH2+]C/C=C/CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC001274014633 851852349 /nfs/dbraw/zinc/85/23/49/851852349.db2.gz BAFVQJRIQLNMHE-MZSZDEQASA-N 1 0 321.352 1.561 20 5 DDBDRO COc1ccc(C(=O)N2CC[C@@H](C[NH3+])[C@H](C)C2)cc1[N+](=O)[O-] ZINC001122295424 858741191 /nfs/dbraw/zinc/74/11/91/858741191.db2.gz JHJOXPCHTYLIIG-PWSUYJOCSA-N 1 0 307.350 1.660 20 5 DDBDRO C[NH+]1CCC(CO[C@H]2CCN(c3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC001224453423 881402337 /nfs/dbraw/zinc/40/23/37/881402337.db2.gz KJJZGVBILHAXKQ-HNNXBMFYSA-N 1 0 320.393 1.927 20 5 DDBDRO CCOCCCC(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001123992284 859514642 /nfs/dbraw/zinc/51/46/42/859514642.db2.gz IGLZXKOVHFUQDZ-UHFFFAOYSA-N 1 0 315.395 1.679 20 5 DDBDRO C[C@H](NC(=O)[C@H]1C[N@@H+]2CCN1C[C@H]2C)c1ccc([N+](=O)[O-])cc1 ZINC001124020491 859529957 /nfs/dbraw/zinc/52/99/57/859529957.db2.gz OOAJUAZQBRSMDJ-TYNCELHUSA-N 1 0 318.377 1.160 20 5 DDBDRO Cc1nn(C)cc1C(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001124960104 859856216 /nfs/dbraw/zinc/85/62/16/859856216.db2.gz ATGUKVUNYRIWTJ-UHFFFAOYSA-N 1 0 317.349 1.156 20 5 DDBDRO Cc1ccc(CC[NH2+]CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC001157766900 864115982 /nfs/dbraw/zinc/11/59/82/864115982.db2.gz BKTFJHFGGVIGLX-HUUCEWRRSA-N 1 0 305.378 1.299 20 5 DDBDRO CCOC(=O)c1ccnc(N(C(C)C)[C@H]2CC[NH2+]C2)c1[N+](=O)[O-] ZINC001158035218 864374592 /nfs/dbraw/zinc/37/45/92/864374592.db2.gz PUPXPMQKSQDWMY-NSHDSACASA-N 1 0 322.365 1.743 20 5 DDBDRO O=C(NCCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1ccncc1 ZINC001154144382 864447549 /nfs/dbraw/zinc/44/75/49/864447549.db2.gz GHFVGOPMZOUPNO-UHFFFAOYSA-N 1 0 314.345 1.900 20 5 DDBDRO C[C@H]1CN(c2nc(Cl)nc(Cl)c2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC001158175950 864470987 /nfs/dbraw/zinc/47/09/87/864470987.db2.gz IXVMWWXBQYAQLZ-WDSKDSINSA-N 1 0 306.153 1.878 20 5 DDBDRO Cc1ccnc(N2CCC(N3CC[C@@H]([NH3+])C3)CC2)c1[N+](=O)[O-] ZINC001158258769 864520794 /nfs/dbraw/zinc/52/07/94/864520794.db2.gz ITEVAGZXPNYONF-GFCCVEGCSA-N 1 0 305.382 1.300 20 5 DDBDRO CNc1ccc(C(=O)N2CC[NH2+]CCC23CCC3)cc1[N+](=O)[O-] ZINC001330952144 864731910 /nfs/dbraw/zinc/73/19/10/864731910.db2.gz QCXRWZZJULVXDR-UHFFFAOYSA-N 1 0 318.377 1.995 20 5 DDBDRO COC(=O)[C@@]12CC[NH2+][C@@H]1CN(c1ncc(C)cc1[N+](=O)[O-])CC2 ZINC001158636722 864774367 /nfs/dbraw/zinc/77/43/67/864774367.db2.gz MKZAVBREDQSMSM-IUODEOHRSA-N 1 0 320.349 1.030 20 5 DDBDRO CN(C)/C=C/c1cc(N2CC3(C2)C[NH+](C)C3)ncc1[N+](=O)[O-] ZINC001158866306 864947668 /nfs/dbraw/zinc/94/76/68/864947668.db2.gz OLJBEIKEIHWZSF-SNAWJCMRSA-N 1 0 303.366 1.274 20 5 DDBDRO O=[N+]([O-])c1c(Cl)nc(Cl)nc1N1CC2(C1)CCC[NH2+]C2 ZINC001159019168 865045189 /nfs/dbraw/zinc/04/51/89/865045189.db2.gz DAYVCVMAHBGKGV-UHFFFAOYSA-N 1 0 318.164 1.881 20 5 DDBDRO CSc1nc(Cl)nc(NCC2C[NH+](C)C2)c1[N+](=O)[O-] ZINC001159220145 865168535 /nfs/dbraw/zinc/16/85/35/865168535.db2.gz SAMCYZMGBXNFBC-UHFFFAOYSA-N 1 0 303.775 1.734 20 5 DDBDRO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC001159751003 865502073 /nfs/dbraw/zinc/50/20/73/865502073.db2.gz TXJXJDQDFZAVDL-RKDXNWHRSA-N 1 0 314.729 1.206 20 5 DDBDRO CC[C@@]([NH3+])(CO)Nc1cc(C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001159749410 865502283 /nfs/dbraw/zinc/50/22/83/865502283.db2.gz YUVLHRKSXIKDRF-HNNXBMFYSA-N 1 0 317.349 1.251 20 5 DDBDRO CCOC(=O)CN(CC[NH3+])c1nc2ccccc2cc1[N+](=O)[O-] ZINC001159864571 865568533 /nfs/dbraw/zinc/56/85/33/865568533.db2.gz GCNPGZZBSMCXSC-UHFFFAOYSA-N 1 0 318.333 1.471 20 5 DDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@@H]([NH+]2CCCC2)C1 ZINC001332470066 865862860 /nfs/dbraw/zinc/86/28/60/865862860.db2.gz MQEAOFSLQSUWTE-BJHJDKERSA-N 1 0 318.377 1.993 20 5 DDBDRO CC1(C)C[NH2+]C[C@H](CNc2cc([N+](=O)[O-])c3cc[nH]c3n2)O1 ZINC001161956825 867140766 /nfs/dbraw/zinc/14/07/66/867140766.db2.gz WVDXFDJSPNUXCZ-SECBINFHSA-N 1 0 305.338 1.650 20 5 DDBDRO C[C@@H](CN1CC[NH2+]CC1)Nc1ccc([N+](=O)[O-])c2cnccc12 ZINC001162092559 867244817 /nfs/dbraw/zinc/24/48/17/867244817.db2.gz GKEYCPAUCMYZMK-LBPRGKRZSA-N 1 0 315.377 1.849 20 5 DDBDRO [NH3+]Cc1nc2cnccc2n1-c1ccc2[nH]cc([N+](=O)[O-])c2n1 ZINC001162215625 867349247 /nfs/dbraw/zinc/34/92/47/867349247.db2.gz KVALZMCLWCCLCB-UHFFFAOYSA-N 1 0 309.289 1.664 20 5 DDBDRO COC(=O)COc1c(C)cc(-n2cnc(C[NH3+])c2)cc1[N+](=O)[O-] ZINC001162304583 867429555 /nfs/dbraw/zinc/42/95/55/867429555.db2.gz NMSLJULXPJTOOJ-UHFFFAOYSA-N 1 0 320.305 1.099 20 5 DDBDRO CN1CCO[C@@H](COc2ncc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC001225892646 882096709 /nfs/dbraw/zinc/09/67/09/882096709.db2.gz FSMOKROOLQHPKT-SECBINFHSA-N 1 0 321.255 1.718 20 5 DDBDRO COCC(C)(C)C(=O)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001162507742 867597426 /nfs/dbraw/zinc/59/74/26/867597426.db2.gz BUEWLYPLHYZUAR-UHFFFAOYSA-N 1 0 323.393 1.863 20 5 DDBDRO COC[C@@](C)([NH3+])CNc1c2cc(F)ccc2ncc1[N+](=O)[O-] ZINC001162536556 867616619 /nfs/dbraw/zinc/61/66/19/867616619.db2.gz ITRFCCRBKLDLHI-AWEZNQCLSA-N 1 0 308.313 1.480 20 5 DDBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC001325113610 867784055 /nfs/dbraw/zinc/78/40/55/867784055.db2.gz MEQKXEBFEBUHKH-NSHDSACASA-N 1 0 307.354 1.265 20 5 DDBDRO [NH3+][C@@H]1Cc2ccccc2N(c2c(F)c([N+](=O)[O-])cc[n+]2[O-])C1 ZINC001162844301 867861093 /nfs/dbraw/zinc/86/10/93/867861093.db2.gz LZQHRKNQKBAIKW-SNVBAGLBSA-N 1 0 304.281 1.389 20 5 DDBDRO CN(CC[N@H+](C)CCO)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001335071950 868044110 /nfs/dbraw/zinc/04/41/10/868044110.db2.gz ITSCSYBEJBUKMM-UHFFFAOYSA-N 1 0 321.299 1.974 20 5 DDBDRO O=[N+]([O-])c1c(N[C@H]2COCCC23C[NH2+]C3)ccc2ncccc21 ZINC001163080858 868064677 /nfs/dbraw/zinc/06/46/77/868064677.db2.gz UVXVXZQHRFGBNJ-AWEZNQCLSA-N 1 0 314.345 1.933 20 5 DDBDRO O=[N+]([O-])c1c(Cl)ncnc1NCC[C@@H]1CCOC12C[NH2+]C2 ZINC001163081875 868067549 /nfs/dbraw/zinc/06/75/49/868067549.db2.gz NKTALENZRBNMIH-MRVPVSSYSA-N 1 0 313.745 1.219 20 5 DDBDRO COc1cc(NCC[C@H]2CCOC23C[NH2+]C3)cnc1[N+](=O)[O-] ZINC001163094955 868088035 /nfs/dbraw/zinc/08/80/35/868088035.db2.gz NQTOWYNGQKDOJR-JTQLQIEISA-N 1 0 308.338 1.179 20 5 DDBDRO O=C1C[C@H]2[NH2+]CC[C@@]2(Nc2cc(Cl)ccc2/C=C/[N+](=O)[O-])N1 ZINC001163253618 868262406 /nfs/dbraw/zinc/26/24/06/868262406.db2.gz LZBGJCLZXBXTFB-YJJAWEDRSA-N 1 0 322.752 1.577 20 5 DDBDRO O=C1C[C@@H]2[NH2+]CC[C@]2(Nc2ccc([N+](=O)[O-])c3ccccc23)N1 ZINC001163254533 868263233 /nfs/dbraw/zinc/26/32/33/868263233.db2.gz SEPHYTQYMIAQHY-HOCLYGCPSA-N 1 0 312.329 1.738 20 5 DDBDRO COc1ccc(NC[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)nc1[N+](=O)[O-] ZINC001163272257 868290651 /nfs/dbraw/zinc/29/06/51/868290651.db2.gz UXIJWWPOBMAIPR-IAQYHMDHSA-N 1 0 322.365 1.569 20 5 DDBDRO CC1(C)C[NH2+]C[C@H]1NC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC001335547369 868376523 /nfs/dbraw/zinc/37/65/23/868376523.db2.gz WWXVJIIMNXLDLG-CYBMUJFWSA-N 1 0 306.366 1.435 20 5 DDBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N(C)CC[NH+](C)C)n1 ZINC001163589599 868551152 /nfs/dbraw/zinc/55/11/52/868551152.db2.gz COPJDMPBANGVBU-UHFFFAOYSA-N 1 0 305.791 1.758 20 5 DDBDRO CN(C)c1cc[nH+]c(CNc2ccc([N+](=O)[O-])c(C(N)=O)c2)c1 ZINC001164152106 868974554 /nfs/dbraw/zinc/97/45/54/868974554.db2.gz MWHFYLNETCULNA-UHFFFAOYSA-N 1 0 315.333 1.767 20 5 DDBDRO CC1(C)CN(c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)[C@](C)(CO)C1 ZINC001164363031 869152849 /nfs/dbraw/zinc/15/28/49/869152849.db2.gz UGZFNNUCKWOHEO-HNNXBMFYSA-N 1 0 321.381 1.059 20 5 DDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N1CCC[C@@]12CC[NH2+]C2 ZINC001336839814 869175532 /nfs/dbraw/zinc/17/55/32/869175532.db2.gz OOTPZNWIKOJJCV-INIZCTEOSA-N 1 0 318.377 1.675 20 5 DDBDRO Cc1nocc1C[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001164490584 869230577 /nfs/dbraw/zinc/23/05/77/869230577.db2.gz NFYCSUXHCYLXGB-CHWSQXEVSA-N 1 0 322.365 1.024 20 5 DDBDRO O=C(COc1ccccc1[N+](=O)[O-])N1CC[NH2+]CCC12CCC2 ZINC001337044274 869287538 /nfs/dbraw/zinc/28/75/38/869287538.db2.gz JAPKTKCRHLCEHH-UHFFFAOYSA-N 1 0 319.361 1.718 20 5 DDBDRO CO[C@H]1CN(C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)C[C@@H]1[NH3+] ZINC001165204562 869426520 /nfs/dbraw/zinc/42/65/20/869426520.db2.gz MWFLHDQIOVYQIP-XPUUQOCRSA-N 1 0 322.699 1.350 20 5 DDBDRO O=[N+]([O-])c1cc2ccccc2nc1N1C[C@H]2C[NH2+]C[C@@]2(CO)C1 ZINC001165282969 869493048 /nfs/dbraw/zinc/49/30/48/869493048.db2.gz KLDCRAXMDBHQEC-WBMJQRKESA-N 1 0 314.345 1.161 20 5 DDBDRO [NH3+]C1([C@H]2CN(c3ccc4[nH]cc([N+](=O)[O-])c4n3)C[C@@H]2CF)CC1 ZINC001165431628 869595045 /nfs/dbraw/zinc/59/50/45/869595045.db2.gz FZCSFOOWIBIYNH-UWVGGRQHSA-N 1 0 319.340 1.984 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@H](O)c2ccncc2)cc1 ZINC001338420234 869970933 /nfs/dbraw/zinc/97/09/33/869970933.db2.gz WEUPGDSGQZRKPT-GJZGRUSLSA-N 1 0 303.318 1.346 20 5 DDBDRO C[C@H](NC(=O)NCC1([NH3+])CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC001338422001 869972475 /nfs/dbraw/zinc/97/24/75/869972475.db2.gz HSMSUJAMRIPZGV-NSHDSACASA-N 1 0 322.365 1.463 20 5 DDBDRO COC(=O)c1cc(OC)c(O[C@@H]2CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC001226431933 882426127 /nfs/dbraw/zinc/42/61/27/882426127.db2.gz VIXUEQXPOCFHKL-SECBINFHSA-N 1 0 310.306 1.473 20 5 DDBDRO C[C@@H](c1nnc(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)n1C)[N+](=O)[O-] ZINC001339670213 870618792 /nfs/dbraw/zinc/61/87/92/870618792.db2.gz XTGJCMIDGUKNOV-NEPJUHHUSA-N 1 0 322.413 1.463 20 5 DDBDRO COC(=O)c1cc(OC)c(O[C@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC001226430610 882427316 /nfs/dbraw/zinc/42/73/16/882427316.db2.gz IQVDAUVWJBFLDE-SECBINFHSA-N 1 0 312.322 1.719 20 5 DDBDRO O=C(Cc1cccc(F)c1[N+](=O)[O-])NC[C@@H]1C[NH+]2CCC1CC2 ZINC001304523721 871219797 /nfs/dbraw/zinc/21/97/97/871219797.db2.gz CLCPEXHTMYJXHX-CYBMUJFWSA-N 1 0 321.352 1.734 20 5 DDBDRO CCOC(=O)COCC[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC001307761184 871452856 /nfs/dbraw/zinc/45/28/56/871452856.db2.gz PUGZOFYSDSKYNC-UHFFFAOYSA-N 1 0 310.350 1.649 20 5 DDBDRO COC(=O)c1cc(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)c[nH]1 ZINC001308247273 871482650 /nfs/dbraw/zinc/48/26/50/871482650.db2.gz NVODNNIOOHZQNK-UHFFFAOYSA-N 1 0 319.317 1.878 20 5 DDBDRO CNc1ccc(C(=O)N2[C@H](C)C[NH2+][C@@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC001341769589 871816251 /nfs/dbraw/zinc/81/62/51/871816251.db2.gz ZVXBVUKNMQYLBK-VWYCJHECSA-N 1 0 306.366 1.847 20 5 DDBDRO COc1ccc(C(=O)N2CCC[C@H]3CC[C@@]32C[NH3+])cc1[N+](=O)[O-] ZINC001342086479 871996995 /nfs/dbraw/zinc/99/69/95/871996995.db2.gz HPLHIRRFLLTJHP-BLLLJJGKSA-N 1 0 319.361 1.947 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)NCC[NH+]1CC=CC1 ZINC001318896570 872332419 /nfs/dbraw/zinc/33/24/19/872332419.db2.gz BAMUPKWBYBSUBF-UHFFFAOYSA-N 1 0 309.297 1.101 20 5 DDBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[NH2+]CCO1 ZINC001343673770 872712051 /nfs/dbraw/zinc/71/20/51/872712051.db2.gz QJSOQBSHWNWCIZ-SNVBAGLBSA-N 1 0 311.363 1.035 20 5 DDBDRO COC[C@@H]1C[NH2+]CCN1C(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001345645443 873462162 /nfs/dbraw/zinc/46/21/62/873462162.db2.gz DQYXOUNWUMMFSP-KKUMJFAQSA-N 1 0 319.361 1.145 20 5 DDBDRO C[NH2+][C@H](C)CCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC001346013654 873590643 /nfs/dbraw/zinc/59/06/43/873590643.db2.gz FJQPBPKOQOSQJE-GFCCVEGCSA-N 1 0 320.393 1.923 20 5 DDBDRO Cc1nn(C)c(C(=O)N2CCC(C)(C)[NH2+]C(C)(C)C2)c1[N+](=O)[O-] ZINC001348214612 874426998 /nfs/dbraw/zinc/42/69/98/874426998.db2.gz VDDSSPMZOWHNNR-UHFFFAOYSA-N 1 0 323.397 1.629 20 5 DDBDRO COCC[NH+](CCOC)C1CN(c2ncc([N+](=O)[O-])cc2C)C1 ZINC001348225905 874435927 /nfs/dbraw/zinc/43/59/27/874435927.db2.gz XAGGHXFRKUYQLJ-UHFFFAOYSA-N 1 0 324.381 1.082 20 5 DDBDRO CC(=O)c1cccc(Cl)c1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001227303224 882961425 /nfs/dbraw/zinc/96/14/25/882961425.db2.gz FYUUZYVZRUQPRW-LLVKDONJSA-N 1 0 314.789 1.905 20 5 DDBDRO C[C@@H](C[NH+](C)C)Oc1ccc2c(c1)oc1cc(=O)ccc-1[n+]2[O-] ZINC001227449069 883025263 /nfs/dbraw/zinc/02/52/63/883025263.db2.gz KMNNHIZXBJIQAL-NSHDSACASA-N 1 0 314.341 1.860 20 5 DDBDRO Nc1cc2nc3ccccc3nc2cc1NC(=O)C[C@H](O)C[NH3+] ZINC001218857710 877769559 /nfs/dbraw/zinc/76/95/59/877769559.db2.gz PPSYRIGJGCDVKA-VIFPVBQESA-N 1 0 311.345 1.013 20 5 DDBDRO O=C([C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001355095185 878423184 /nfs/dbraw/zinc/42/31/84/878423184.db2.gz PXTRBVNIUZHVQC-LQKXBSAESA-N 1 0 315.373 1.766 20 5 DDBDRO CC(C)N(C)CC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001356585864 879116768 /nfs/dbraw/zinc/11/67/68/879116768.db2.gz WMJAWAIQEGNRID-UHFFFAOYSA-N 1 0 308.382 1.853 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NCC[C@H]1CSCC[NH2+]1 ZINC001357660944 880122271 /nfs/dbraw/zinc/12/22/71/880122271.db2.gz UENWGVIIBAQPCG-JTQLQIEISA-N 1 0 310.379 1.123 20 5 DDBDRO COCC(=O)NCC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001222194117 880318345 /nfs/dbraw/zinc/31/83/45/880318345.db2.gz AQNKUJNPUKPJRZ-UHFFFAOYSA-N 1 0 321.377 1.569 20 5 DDBDRO C[C@H](C[N+](C)(C)C)Oc1n[nH]c(=O)c2cccc([N+](=O)[O-])c21 ZINC001229368124 883948799 /nfs/dbraw/zinc/94/87/99/883948799.db2.gz WANXMVHXXHZJEM-SECBINFHSA-O 1 0 307.330 1.717 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1nc2cc([N+](=O)[O-])ccc2o1 ZINC001229485502 884006314 /nfs/dbraw/zinc/00/63/14/884006314.db2.gz AVOKGEDDGKQCSL-SNVBAGLBSA-N 1 0 324.313 1.099 20 5 DDBDRO C[N@H+](CCCNC(=O)C(F)F)Cc1cccc([N+](=O)[O-])c1 ZINC001231018010 885138927 /nfs/dbraw/zinc/13/89/27/885138927.db2.gz OTWUWRIZGWTJGA-UHFFFAOYSA-N 1 0 301.293 1.798 20 5 DDBDRO CCOC(=O)Cc1ccc([N+](=O)[O-])c(O[C@H]2CC[N@H+](C)C2)c1 ZINC001234408464 887945531 /nfs/dbraw/zinc/94/55/31/887945531.db2.gz MSBUGPKDTXEPGK-LBPRGKRZSA-N 1 0 308.334 1.783 20 5 DDBDRO C[N@H+](CCCNC(=O)c1ccon1)Cc1ccccc1[N+](=O)[O-] ZINC001234512365 888041767 /nfs/dbraw/zinc/04/17/67/888041767.db2.gz HENWHVINMWBUTD-UHFFFAOYSA-N 1 0 318.333 1.835 20 5 DDBDRO [NH3+][C@H]1CCCN(C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254465850 896453847 /nfs/dbraw/zinc/45/38/47/896453847.db2.gz NLAKOBHVRNZBHZ-ZDUSSCGKSA-N 1 0 304.394 1.987 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC([NH+]3CC4(COC4)C3)CC2)cc1 ZINC001254477016 896455780 /nfs/dbraw/zinc/45/57/80/896455780.db2.gz ZQAZBXXTCFPJGP-UHFFFAOYSA-N 1 0 303.362 1.896 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCN1C(=O)C=CC1=O ZINC001254537987 896494136 /nfs/dbraw/zinc/49/41/36/896494136.db2.gz LNGLXUJPPJKHCL-LLVKDONJSA-N 1 0 303.318 1.040 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H]2CN(C)C(=O)[C@H]2C1 ZINC001254555434 896498171 /nfs/dbraw/zinc/49/81/71/896498171.db2.gz GMBJSQBYJSLDDZ-BNOWGMLFSA-N 1 0 303.362 1.546 20 5 DDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1(CO)CCN(C)CC1 ZINC001254550841 896498819 /nfs/dbraw/zinc/49/88/19/896498819.db2.gz SBBFXIDDHOCIAD-ZDUSSCGKSA-N 1 0 307.394 1.572 20 5 DDBDRO CNC(=O)C1CC[NH+]([C@@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001254550829 896499131 /nfs/dbraw/zinc/49/91/31/896499131.db2.gz RSUJYKXRVPNBTP-LBPRGKRZSA-N 1 0 305.378 1.984 20 5 DDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CCO[C@@H](C[NH+](C)C)C1 ZINC001254552451 896499498 /nfs/dbraw/zinc/49/94/98/896499498.db2.gz MDEZVKHMQDVBSU-ZFWWWQNUSA-N 1 0 307.394 1.788 20 5 DDBDRO CC(=O)N(C)[C@H]1CC[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254611678 896532913 /nfs/dbraw/zinc/53/29/13/896532913.db2.gz QZEULWTXESPNMS-JKSUJKDBSA-N 1 0 303.362 1.615 20 5 DDBDRO Cc1nc(N2CCN(c3cc[nH+]cc3)CC2)ncc1[N+](=O)[O-] ZINC001261260047 899439610 /nfs/dbraw/zinc/43/96/10/899439610.db2.gz BHWMFQGRQAITQT-UHFFFAOYSA-N 1 0 300.322 1.415 20 5 DDBDRO Nc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC001293263421 914378990 /nfs/dbraw/zinc/37/89/90/914378990.db2.gz YABBBJJWOWAWOS-NSHDSACASA-N 1 0 304.350 1.391 20 5 DDBDRO CCC[NH2+]CCNC(=O)NC[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001262584739 900262640 /nfs/dbraw/zinc/26/26/40/900262640.db2.gz KTFXXUXCYKVBTI-GFCCVEGCSA-N 1 0 308.382 1.997 20 5 DDBDRO C[C@@H](CNC(=O)NC[C@@H]1CCC[NH2+]1)c1ccccc1[N+](=O)[O-] ZINC001262584400 900262849 /nfs/dbraw/zinc/26/28/49/900262849.db2.gz BALUULVPCBPNBW-RYUDHWBXSA-N 1 0 306.366 1.750 20 5 DDBDRO Nc1cc(N2CCC[C@H](C[NH+]3CCOCC3)C2)ncc1[N+](=O)[O-] ZINC001262694823 900313629 /nfs/dbraw/zinc/31/36/29/900313629.db2.gz HKHHOXQPFASGNB-GFCCVEGCSA-N 1 0 321.381 1.121 20 5 DDBDRO CC(C)[NH+]1CCN(c2nnc(-c3c[nH]c([N+](=O)[O-])c3)n2C)CC1 ZINC001262892401 900410101 /nfs/dbraw/zinc/41/01/01/900410101.db2.gz BPFGNGODZMICPX-UHFFFAOYSA-N 1 0 319.369 1.249 20 5 DDBDRO Cc1cc(NC(=O)C[C@]2(O)CCC[N@@H+](C)C2)cc([N+](=O)[O-])c1 ZINC001264010895 900870285 /nfs/dbraw/zinc/87/02/85/900870285.db2.gz OEDKJKJTHDFMCV-OAHLLOKOSA-N 1 0 307.350 1.689 20 5 DDBDRO C/C=C(/C)C(=O)NC[C@H]1C[C@H]([NH2+]Cc2c([N+](=O)[O-])ncn2C)C1 ZINC001264418378 901105984 /nfs/dbraw/zinc/10/59/84/901105984.db2.gz QQPAZJWPVGDSER-JHJZIVBASA-N 1 0 321.381 1.279 20 5 DDBDRO C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000278308483 214081686 /nfs/dbraw/zinc/08/16/86/214081686.db2.gz STOHKIMXQWEDPU-PSASIEDQSA-N 1 0 308.294 1.373 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000451334532 231070046 /nfs/dbraw/zinc/07/00/46/231070046.db2.gz BVFUGYKBVKEADN-YRGRVCCFSA-N 1 0 308.382 1.844 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[NH2+]CC1(C)C ZINC000088139382 185240755 /nfs/dbraw/zinc/24/07/55/185240755.db2.gz YQVSXCXMUMQEAI-UHFFFAOYSA-N 1 0 313.379 1.276 20 5 DDBDRO CCc1ccc(C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1[N+](=O)[O-] ZINC000293597407 529600007 /nfs/dbraw/zinc/60/00/07/529600007.db2.gz ZODHGGPGOGEIQQ-KBPBESRZSA-N 1 0 303.362 1.981 20 5 DDBDRO CCC[C@@H](C)[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000090015323 185278452 /nfs/dbraw/zinc/27/84/52/185278452.db2.gz MNTFJVYNIWFZAK-LLVKDONJSA-N 1 0 315.395 1.651 20 5 DDBDRO CCO[C@H]1C[C@@H]([N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)C1(C)C ZINC000090550319 185302280 /nfs/dbraw/zinc/30/22/80/185302280.db2.gz SVLIWMZTHGHALV-KGLIPLIRSA-N 1 0 323.393 1.892 20 5 DDBDRO CCc1ncc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])cn1 ZINC000414444153 529752666 /nfs/dbraw/zinc/75/26/66/529752666.db2.gz UHXYLGVCXCGTEX-UHFFFAOYSA-N 1 0 301.350 1.913 20 5 DDBDRO CN(CC(=O)NCC[C@H]1CCC[NH2+]1)c1ccccc1[N+](=O)[O-] ZINC000444265725 529834269 /nfs/dbraw/zinc/83/42/69/529834269.db2.gz NILBOCLLJMICHY-GFCCVEGCSA-N 1 0 306.366 1.289 20 5 DDBDRO C[NH2+]C[C@@H]1CCCN(C(=O)Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000422700202 529987134 /nfs/dbraw/zinc/98/71/34/529987134.db2.gz BRUVFVQRKMAVLQ-ZDUSSCGKSA-N 1 0 305.378 1.904 20 5 DDBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CCC1CS(=O)(=O)C1 ZINC000615728217 362417860 /nfs/dbraw/zinc/41/78/60/362417860.db2.gz ZPTGJFFLYSSNJT-HYXAFXHYSA-N 1 0 310.375 1.632 20 5 DDBDRO C[C@@H]1C[C@H](NC(=O)COc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000330895788 232146244 /nfs/dbraw/zinc/14/62/44/232146244.db2.gz GJWAYHMYYYVHRG-VXGBXAGGSA-N 1 0 307.350 1.573 20 5 DDBDRO C[NH+]1CCC(C)(CNC(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000272715911 210121658 /nfs/dbraw/zinc/12/16/58/210121658.db2.gz LRWDMEQIIWEFLJ-UHFFFAOYSA-N 1 0 307.354 1.843 20 5 DDBDRO C[C@H](CN1CCOCC1)[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000279785211 215143515 /nfs/dbraw/zinc/14/35/15/215143515.db2.gz UWXOSIBUIBNCBP-CJNGLKHVSA-N 1 0 323.393 1.281 20 5 DDBDRO COC(=O)c1cc(C(=O)N(C)CC[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000080390448 192155210 /nfs/dbraw/zinc/15/52/10/192155210.db2.gz NEAQCDKYEIXNTQ-UHFFFAOYSA-N 1 0 309.322 1.015 20 5 DDBDRO C[NH+]1CCC(C)(CNC(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000272501216 209910655 /nfs/dbraw/zinc/91/06/55/209910655.db2.gz GWJPVOQGNAMPAD-UHFFFAOYSA-N 1 0 321.377 1.822 20 5 DDBDRO C[NH+](C)C[C@@](C)(O)CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000139631411 186023149 /nfs/dbraw/zinc/02/31/49/186023149.db2.gz LZKHTXHSYXCOFY-ZDUSSCGKSA-N 1 0 315.757 1.291 20 5 DDBDRO COCCC[N@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000152404410 186069406 /nfs/dbraw/zinc/06/94/06/186069406.db2.gz IUHZZWMLGGKCRB-UHFFFAOYSA-N 1 0 309.366 1.601 20 5 DDBDRO CC[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])CC(C)(C)O ZINC000181883642 186214806 /nfs/dbraw/zinc/21/48/06/186214806.db2.gz ZDBWIQRTKSHOEF-GFCCVEGCSA-N 1 0 312.366 1.427 20 5 DDBDRO Cc1cc(C)c(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000191855192 186264680 /nfs/dbraw/zinc/26/46/80/186264680.db2.gz FMKNNPAVMQWSAY-UHFFFAOYSA-N 1 0 301.368 1.052 20 5 DDBDRO C[C@@H]1[NH2+]CCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])[C@H]1C ZINC000262878750 186317924 /nfs/dbraw/zinc/31/79/24/186317924.db2.gz VTGJMIGOQKKTDW-RYUDHWBXSA-N 1 0 306.366 1.240 20 5 DDBDRO C[NH+](C)C[C@H]1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000172198101 198056326 /nfs/dbraw/zinc/05/63/26/198056326.db2.gz XDNJVRNIWIKEPA-GFCCVEGCSA-N 1 0 321.377 1.845 20 5 DDBDRO C[C@H](CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)[NH+](C)C ZINC000033092951 352288439 /nfs/dbraw/zinc/28/84/39/352288439.db2.gz BRZWZHKLYZWGAN-GFCCVEGCSA-N 1 0 320.393 1.875 20 5 DDBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](CCn3cccn3)C2)nc1 ZINC000072665272 191211428 /nfs/dbraw/zinc/21/14/28/191211428.db2.gz PRXSNYSNMXZKBT-LBPRGKRZSA-N 1 0 302.338 1.373 20 5 DDBDRO CC[NH+](CC)[C@@H]1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000072835292 191236004 /nfs/dbraw/zinc/23/60/04/191236004.db2.gz ZFDCZQDWIKPUAP-CYBMUJFWSA-N 1 0 320.393 1.949 20 5 DDBDRO CCC[N@H+](CCOc1ccccc1[N+](=O)[O-])CC(=O)N(C)C ZINC000056510208 352776584 /nfs/dbraw/zinc/77/65/84/352776584.db2.gz SKTHQBKAMNXZBS-UHFFFAOYSA-N 1 0 309.366 1.774 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000057553462 352820223 /nfs/dbraw/zinc/82/02/23/352820223.db2.gz BAWATORFZUOABX-NSHDSACASA-N 1 0 305.334 1.327 20 5 DDBDRO CC[NH+]1CCC(NC(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000057006282 352794717 /nfs/dbraw/zinc/79/47/17/352794717.db2.gz LGEYJWISORZERT-UHFFFAOYSA-N 1 0 306.366 1.878 20 5 DDBDRO C[C@@H](CC[NH+](C)C)NC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000062505121 352899160 /nfs/dbraw/zinc/89/91/60/352899160.db2.gz FQQWMGDOJXBGCJ-LBPRGKRZSA-N 1 0 323.397 1.646 20 5 DDBDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000068008071 353080205 /nfs/dbraw/zinc/08/02/05/353080205.db2.gz KGQOLYTWQWWBLR-CYBMUJFWSA-N 1 0 323.397 1.562 20 5 DDBDRO C[C@@H](CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)[NH+](C)C ZINC000068182105 353093960 /nfs/dbraw/zinc/09/39/60/353093960.db2.gz HCNHVTFVARTVNP-NSHDSACASA-N 1 0 304.350 1.616 20 5 DDBDRO C[C@H](CC[NH+](C)C)NC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000068592833 353122078 /nfs/dbraw/zinc/12/20/78/353122078.db2.gz DRFRPACTXSESLV-GFCCVEGCSA-N 1 0 323.397 1.646 20 5 DDBDRO CC[N@H+](C)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000068960660 353138791 /nfs/dbraw/zinc/13/87/91/353138791.db2.gz BXPHMSZTAYQJAR-UHFFFAOYSA-N 1 0 301.368 1.133 20 5 DDBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000069370704 353158749 /nfs/dbraw/zinc/15/87/49/353158749.db2.gz OVKGAJRFPXTFTJ-CYBMUJFWSA-N 1 0 321.377 1.746 20 5 DDBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000069470882 353162488 /nfs/dbraw/zinc/16/24/88/353162488.db2.gz GPKUTIGHPCURFK-ZDUSSCGKSA-N 1 0 320.393 1.855 20 5 DDBDRO Cc1c(NC(=O)[C@H](C)[N@@H+](C)CC[C@@H](C)O)cccc1[N+](=O)[O-] ZINC000072713610 353210594 /nfs/dbraw/zinc/21/05/94/353210594.db2.gz FZJDZVBFMYRHMB-PWSUYJOCSA-N 1 0 309.366 1.933 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000277110809 213298968 /nfs/dbraw/zinc/29/89/68/213298968.db2.gz DHDRICYUCSNJIK-CYBMUJFWSA-N 1 0 323.397 1.433 20 5 DDBDRO Nc1c(C(=O)NCCC[NH+]2CCCCC2)cc(F)cc1[N+](=O)[O-] ZINC000077678514 353482017 /nfs/dbraw/zinc/48/20/17/353482017.db2.gz JGYAULGNXDHSBR-UHFFFAOYSA-N 1 0 324.356 1.922 20 5 DDBDRO Cn1cc(CC[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)cn1 ZINC000077266088 353461809 /nfs/dbraw/zinc/46/18/09/353461809.db2.gz AVNYRULTIBOWKJ-UHFFFAOYSA-N 1 0 315.377 1.693 20 5 DDBDRO Cc1cc(C)c(S(=O)(=O)N(C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000277100708 213292825 /nfs/dbraw/zinc/29/28/25/213292825.db2.gz TXUGTEYSMFIENW-UHFFFAOYSA-N 1 0 315.395 1.394 20 5 DDBDRO CCc1nn(C)c(NC[C@@H](C)N2CC[NH+](CC)CC2)c1[N+](=O)[O-] ZINC000092828654 353871745 /nfs/dbraw/zinc/87/17/45/353871745.db2.gz PZDGJZCLEYRLNV-GFCCVEGCSA-N 1 0 324.429 1.329 20 5 DDBDRO C[C@H]([NH3+])[C@@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CCO1 ZINC000127794099 354068387 /nfs/dbraw/zinc/06/83/87/354068387.db2.gz MMJNJZOOERAXBM-UFBFGSQYSA-N 1 0 313.741 1.436 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)CCC[NH3+])cc1C ZINC000156859888 354222135 /nfs/dbraw/zinc/22/21/35/354222135.db2.gz YZRQITUAVKDQGI-UHFFFAOYSA-N 1 0 301.368 1.181 20 5 DDBDRO CS[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000235220795 354333360 /nfs/dbraw/zinc/33/33/60/354333360.db2.gz QEVFLMLPHOBPLW-CYZMBNFOSA-N 1 0 314.411 1.416 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCN1CCOCC1 ZINC000236844424 354336328 /nfs/dbraw/zinc/33/63/28/354336328.db2.gz LGOWGGZQWICYPC-UHFFFAOYSA-N 1 0 309.366 1.415 20 5 DDBDRO NC(=O)c1ccnc(N[C@@H]2CC[N@@H+](C3CCCC3)C2)c1[N+](=O)[O-] ZINC000357243407 291029757 /nfs/dbraw/zinc/02/97/57/291029757.db2.gz XEWZKHLHQUZTAC-SNVBAGLBSA-N 1 0 319.365 1.518 20 5 DDBDRO COC1(C)CC[NH+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000271687192 209125888 /nfs/dbraw/zinc/12/58/88/209125888.db2.gz DQTBBMSXNRPZII-UHFFFAOYSA-N 1 0 307.350 1.695 20 5 DDBDRO CC[C@@H]1CN(C(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000316789019 354506628 /nfs/dbraw/zinc/50/66/28/354506628.db2.gz HHEIUUWILUPUQL-ZYHUDNBSSA-N 1 0 307.350 1.803 20 5 DDBDRO CN(CC[NH+](C)C)C(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000272314936 209703995 /nfs/dbraw/zinc/70/39/95/209703995.db2.gz IVJNDIPTBHRHQV-UHFFFAOYSA-N 1 0 309.351 1.233 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@H]([C@@H](C)O)C2)c1 ZINC000589510630 354997727 /nfs/dbraw/zinc/99/77/27/354997727.db2.gz BIRNOFJFECCVKQ-YPMHNXCESA-N 1 0 322.361 1.974 20 5 DDBDRO C[C@H]1COCC[N@@H+]1C1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000590554880 355112723 /nfs/dbraw/zinc/11/27/23/355112723.db2.gz IZTLJYMCJUYPDG-NSHDSACASA-N 1 0 323.349 1.513 20 5 DDBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000590589559 355122451 /nfs/dbraw/zinc/12/24/51/355122451.db2.gz PFNTTWIFGWSBMV-GWCFXTLKSA-N 1 0 313.379 1.308 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000332581161 235140837 /nfs/dbraw/zinc/14/08/37/235140837.db2.gz APPNWQPTCLKPJE-OLZOCXBDSA-N 1 0 303.362 1.893 20 5 DDBDRO C[C@H]([NH3+])[C@@H]1CN(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000591344135 355293500 /nfs/dbraw/zinc/29/35/00/355293500.db2.gz JXMGJNJITJPWCT-MJVIPROJSA-N 1 0 322.365 1.413 20 5 DDBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)N[C@H]1CCC[NH2+]CC1 ZINC000591351662 355295769 /nfs/dbraw/zinc/29/57/69/355295769.db2.gz JNYRCEPUYIYTGY-LBPRGKRZSA-N 1 0 322.365 1.415 20 5 DDBDRO [NH3+]C/C=C/CNC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000591352799 355296580 /nfs/dbraw/zinc/29/65/80/355296580.db2.gz WEKNUINUHQLSCV-DUXPYHPUSA-N 1 0 306.366 1.732 20 5 DDBDRO Cc1c(CNC(=O)NC[C@H]2CCCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000591357077 355298712 /nfs/dbraw/zinc/29/87/12/355298712.db2.gz YHLCJMRKIRZAGI-CYBMUJFWSA-N 1 0 306.366 1.845 20 5 DDBDRO C[C@H]([NH3+])CNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000591357210 355299026 /nfs/dbraw/zinc/29/90/26/355299026.db2.gz IYISPIXZYDHWRX-ZETCQYMHSA-N 1 0 320.271 1.760 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@@H]3CC[NH2+][C@@H]3C2)c1 ZINC000591438537 355311124 /nfs/dbraw/zinc/31/11/24/355311124.db2.gz MZAXZQIJROEGEB-CMPLNLGQSA-N 1 0 305.334 1.570 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1N1CC[C@H]3C[NH2+]C[C@H]3CC1)CCN2 ZINC000591441855 355312008 /nfs/dbraw/zinc/31/20/08/355312008.db2.gz GWGJHFXCAJMQBK-TXEJJXNPSA-N 1 0 302.378 1.999 20 5 DDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@@H]2C[C@H](F)CN2)n1 ZINC000591579929 355330428 /nfs/dbraw/zinc/33/04/28/355330428.db2.gz ABDSFLNUEPOZJV-ZDEQEGDKSA-N 1 0 311.361 1.565 20 5 DDBDRO COc1ccc(NC(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)cc1[N+](=O)[O-] ZINC000591297637 355283468 /nfs/dbraw/zinc/28/34/68/355283468.db2.gz RUQBYLSJDMHMNL-JQWIXIFHSA-N 1 0 320.349 1.819 20 5 DDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000591307957 355286807 /nfs/dbraw/zinc/28/68/07/355286807.db2.gz KPPUTQKYDUHJFF-HZMBPMFUSA-N 1 0 322.365 1.737 20 5 DDBDRO O=C(NC[C@@H]1CCCC[NH2+]1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000591677238 355360315 /nfs/dbraw/zinc/36/03/15/355360315.db2.gz BDZYRRNZRXFVBN-VIFPVBQESA-N 1 0 307.306 1.195 20 5 DDBDRO Cc1c(CNC(=O)[C@H]2C[NH2+]CCC2(F)F)cccc1[N+](=O)[O-] ZINC000591685675 355361569 /nfs/dbraw/zinc/36/15/69/355361569.db2.gz IRSLTGDRKLSPEO-LLVKDONJSA-N 1 0 313.304 1.764 20 5 DDBDRO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592255454 355547549 /nfs/dbraw/zinc/54/75/49/355547549.db2.gz PSMXJXYGQNUUHT-WDEREUQCSA-N 1 0 307.354 1.170 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000592307854 355556117 /nfs/dbraw/zinc/55/61/17/355556117.db2.gz JSCWELPEDVQIGQ-SMDDNHRTSA-N 1 0 307.350 1.400 20 5 DDBDRO CC[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC[C@H]1[NH3+] ZINC000592330870 355560564 /nfs/dbraw/zinc/56/05/64/355560564.db2.gz DHMRDERZZVLVCC-LDYMZIIASA-N 1 0 310.329 1.516 20 5 DDBDRO O=C(NC[C@H]1CCCC[NH2+]1)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000592440786 355585182 /nfs/dbraw/zinc/58/51/82/355585182.db2.gz XFMYJOHLEGYASI-SNVBAGLBSA-N 1 0 302.334 1.948 20 5 DDBDRO CC(C)[C@H]1CN([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000592485211 355595978 /nfs/dbraw/zinc/59/59/78/355595978.db2.gz RKBLRNQMBGHIFD-GXTWGEPZSA-N 1 0 320.393 1.852 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC(C)([NH3+])CC1 ZINC000592485003 355596173 /nfs/dbraw/zinc/59/61/73/355596173.db2.gz MSKXSCXRCKRXTE-UHFFFAOYSA-N 1 0 306.366 1.655 20 5 DDBDRO CC(C)[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC[NH2+]1 ZINC000592380982 355571049 /nfs/dbraw/zinc/57/10/49/355571049.db2.gz XMXUILWZWXBQMI-SECBINFHSA-N 1 0 319.408 1.275 20 5 DDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000592538655 355621026 /nfs/dbraw/zinc/62/10/26/355621026.db2.gz ZSXQDSISWMISTB-AAEUAGOBSA-N 1 0 318.377 1.781 20 5 DDBDRO [NH3+]C1(C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)CCCC1 ZINC000592563361 355630572 /nfs/dbraw/zinc/63/05/72/355630572.db2.gz VXJOCSQQJPQEMG-UHFFFAOYSA-N 1 0 307.354 1.226 20 5 DDBDRO C[C@@H]1[C@H](C(=O)NCCNc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000592747090 355673926 /nfs/dbraw/zinc/67/39/26/355673926.db2.gz IGIYOSKZADIREI-BXUZGUMPSA-N 1 0 306.366 1.463 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@H](C)[C@H]2CO)c1 ZINC000593024741 355772729 /nfs/dbraw/zinc/77/27/29/355772729.db2.gz LOCXTLDBABTFBF-IINYFYTJSA-N 1 0 308.334 1.584 20 5 DDBDRO C[N@@H+]1C[C@@H]2CCN(C(=O)Cc3ccc(F)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000593720280 355976571 /nfs/dbraw/zinc/97/65/71/355976571.db2.gz JPMZGUOOVYVVRN-SMDDNHRTSA-N 1 0 307.325 1.439 20 5 DDBDRO NC(=O)[C@H]1C[C@@H]([NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000593723947 355977367 /nfs/dbraw/zinc/97/73/67/355977367.db2.gz VOIGFRWNSKYNMR-USZNOCQGSA-N 1 0 307.354 1.129 20 5 DDBDRO COc1cccc(C(=O)N2CCC(CC[NH3+])CC2)c1[N+](=O)[O-] ZINC000593917078 356058936 /nfs/dbraw/zinc/05/89/36/356058936.db2.gz XGHBRNRSAAEHOK-UHFFFAOYSA-N 1 0 307.350 1.804 20 5 DDBDRO CN1C[C@@H]([N@H+](C)CCCOc2ccc([N+](=O)[O-])cc2)CCC1=O ZINC000593991706 356081075 /nfs/dbraw/zinc/08/10/75/356081075.db2.gz JAMVJJOKAFLGAC-AWEZNQCLSA-N 1 0 321.377 1.916 20 5 DDBDRO CC[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCCCO1 ZINC000594045720 356097887 /nfs/dbraw/zinc/09/78/87/356097887.db2.gz YWTUVZCODHOIRH-MELADBBJSA-N 1 0 312.370 1.090 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)n1 ZINC000594198106 356137547 /nfs/dbraw/zinc/13/75/47/356137547.db2.gz RXLMSIDMLHIFIY-NWDGAFQWSA-N 1 0 321.381 1.558 20 5 DDBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000594431290 356210019 /nfs/dbraw/zinc/21/00/19/356210019.db2.gz KYJQMRCWESOWKF-ZBFHGGJFSA-N 1 0 303.362 1.643 20 5 DDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000594429967 356210032 /nfs/dbraw/zinc/21/00/32/356210032.db2.gz XCJGBVPLIXDTHE-CZUORRHYSA-N 1 0 303.362 1.943 20 5 DDBDRO C[C@@H]1[C@H]([NH3+])CCCN1C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000594624774 356268565 /nfs/dbraw/zinc/26/85/65/356268565.db2.gz BKDKQGZLXLOIBB-PSASIEDQSA-N 1 0 307.306 1.275 20 5 DDBDRO O=C(CCn1cc([N+](=O)[O-])cn1)N1CC[NH2+]C2(CCCCC2)C1 ZINC000594628752 356269461 /nfs/dbraw/zinc/26/94/61/356269461.db2.gz HEXUBMKKRQCCIH-UHFFFAOYSA-N 1 0 321.381 1.316 20 5 DDBDRO Cc1ccc(C[NH2+]C[C@@]2(OCCO)CCOC2)cc1[N+](=O)[O-] ZINC000594973499 356366958 /nfs/dbraw/zinc/36/69/58/356366958.db2.gz DAIAYEJSJRJNEN-HNNXBMFYSA-N 1 0 310.350 1.161 20 5 DDBDRO C[N@@H+]1CC[C@H]2OCCN(c3ncc(Cl)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000284576044 283158756 /nfs/dbraw/zinc/15/87/56/283158756.db2.gz OUVMIJWTABCKFZ-VXGBXAGGSA-N 1 0 312.757 1.553 20 5 DDBDRO Cc1cc(S(=O)(=O)N2CC[C@H](C[NH3+])C2)c(C)cc1[N+](=O)[O-] ZINC000595106440 356383260 /nfs/dbraw/zinc/38/32/60/356383260.db2.gz XRCZRWCGNNCMRN-LLVKDONJSA-N 1 0 313.379 1.181 20 5 DDBDRO [NH3+]C1(C(=O)NCCc2ccccc2[N+](=O)[O-])CC2(CCC2)C1 ZINC000595249986 356418013 /nfs/dbraw/zinc/41/80/13/356418013.db2.gz ODZSEHDTEMMBET-UHFFFAOYSA-N 1 0 303.362 1.915 20 5 DDBDRO Cc1noc(CN2CC[N@H+](CC(C)(C)O)[C@H](C)C2)c1[N+](=O)[O-] ZINC000595452137 356498346 /nfs/dbraw/zinc/49/83/46/356498346.db2.gz YHRJQUCHUKEAEL-SNVBAGLBSA-N 1 0 312.370 1.168 20 5 DDBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@@H](Cn3ccnn3)C2)c1 ZINC000595608477 356575657 /nfs/dbraw/zinc/57/56/57/356575657.db2.gz QVHLHURTPITNGN-CYBMUJFWSA-N 1 0 317.349 1.587 20 5 DDBDRO CCOc1cc(C[N@@H+]2CCC[C@@](CO)(OC)C2)ccc1[N+](=O)[O-] ZINC000595657641 356594928 /nfs/dbraw/zinc/59/49/28/356594928.db2.gz DUZNYHINDLTRNK-MRXNPFEDSA-N 1 0 324.377 1.967 20 5 DDBDRO Cc1c(NC(=O)CC[NH2+][C@@H](CO)C2CCC2)cccc1[N+](=O)[O-] ZINC000595616016 356579284 /nfs/dbraw/zinc/57/92/84/356579284.db2.gz LCEVTNVXMNCVIF-AWEZNQCLSA-N 1 0 321.377 1.982 20 5 DDBDRO C[C@@H]1C[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H](C)[C@H]1O ZINC000595748320 356635039 /nfs/dbraw/zinc/63/50/39/356635039.db2.gz FNDKNAFLWDZUBV-FIRUKDTASA-N 1 0 324.377 1.283 20 5 DDBDRO COc1cc(C[N@@H+]2CC[C@@H]3NC(=O)CC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000595728784 356625390 /nfs/dbraw/zinc/62/53/90/356625390.db2.gz OWHMWUFJAAJYAS-STQMWFEESA-N 1 0 319.361 1.704 20 5 DDBDRO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H](C)[C@H]1O ZINC000595733289 356627590 /nfs/dbraw/zinc/62/75/90/356627590.db2.gz QZURUBYMSQQQNE-ATCWAGBWSA-N 1 0 321.377 1.872 20 5 DDBDRO CC[NH2+]CCNS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000237017207 202123950 /nfs/dbraw/zinc/12/39/50/202123950.db2.gz AFMDNEADUIEDFV-UHFFFAOYSA-N 1 0 301.368 1.099 20 5 DDBDRO COc1ccc(C(=O)N[C@H]2CCCC[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000237152138 202169069 /nfs/dbraw/zinc/16/90/69/202169069.db2.gz TYAKRYNPUYPXRP-RYUDHWBXSA-N 1 0 307.350 1.851 20 5 DDBDRO C[C@@H](C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000596065412 356758581 /nfs/dbraw/zinc/75/85/81/356758581.db2.gz GHYIDKIXXRMUBB-WFASDCNBSA-N 1 0 310.398 1.958 20 5 DDBDRO CC1(C)OCC[C@H]1C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000596067171 356760409 /nfs/dbraw/zinc/76/04/09/356760409.db2.gz UPWYFRXMPIEPTL-JSGCOSHPSA-N 1 0 324.377 1.739 20 5 DDBDRO NC(=O)c1cc(N[C@@H]2CC[N@@H+]3CCCC[C@H]23)ccc1[N+](=O)[O-] ZINC000596074496 356763644 /nfs/dbraw/zinc/76/36/44/356763644.db2.gz AZGODRKAXQHARE-TZMCWYRMSA-N 1 0 304.350 1.732 20 5 DDBDRO C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)C[N@@H+]1C1CC1 ZINC000596155926 356794675 /nfs/dbraw/zinc/79/46/75/356794675.db2.gz LMIOSNNLWHJNBY-KOLCDFICSA-N 1 0 304.350 1.731 20 5 DDBDRO CS[C@@H]1CN(c2cc[nH]c(=O)c2[N+](=O)[O-])C[C@H]1[NH+]1CCCC1 ZINC000596197171 356810494 /nfs/dbraw/zinc/81/04/94/356810494.db2.gz VXUCXRORVLUSID-VXGBXAGGSA-N 1 0 324.406 1.711 20 5 DDBDRO CC[NH+](CC)CC[C@@H](CO)Nc1c(Cl)cncc1[N+](=O)[O-] ZINC000596219863 356819915 /nfs/dbraw/zinc/81/99/15/356819915.db2.gz XUSPYJIQNYUCGD-JTQLQIEISA-N 1 0 316.789 1.570 20 5 DDBDRO C[NH+](C)CC1CN(c2ncc([N+](=O)[O-])cc2Br)C1 ZINC000596247590 356831383 /nfs/dbraw/zinc/83/13/83/356831383.db2.gz RJBAJNRERIZNFV-UHFFFAOYSA-N 1 0 315.171 1.750 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC(CO)([NH2+]CC3CC3)CC2)cn1 ZINC000596262791 356836462 /nfs/dbraw/zinc/83/64/62/356836462.db2.gz CMNYVACDTRYEJK-UHFFFAOYSA-N 1 0 306.366 1.321 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)NCC[C@@H]2CCC[NH2+]C2)c1 ZINC000237242034 202201049 /nfs/dbraw/zinc/20/10/49/202201049.db2.gz HCNHFYCYRQWBNT-NSHDSACASA-N 1 0 307.350 1.723 20 5 DDBDRO COc1cc(C(=O)NC[C@H]([NH3+])C2CC2)c([N+](=O)[O-])cc1OC ZINC000237261482 202209470 /nfs/dbraw/zinc/20/94/70/202209470.db2.gz MQCIWWYWLYLVJX-JTQLQIEISA-N 1 0 309.322 1.079 20 5 DDBDRO [NH3+]CCN(Cc1cn(C2CCC2)nn1)c1ccccc1[N+](=O)[O-] ZINC000597128201 357067716 /nfs/dbraw/zinc/06/77/16/357067716.db2.gz VRSYLNZPOIMEEA-UHFFFAOYSA-N 1 0 316.365 1.877 20 5 DDBDRO C[C@H]1C[NH+](CCCCNC(=O)c2cc([N+](=O)[O-])c[nH]2)C[C@H](C)O1 ZINC000347605121 283241455 /nfs/dbraw/zinc/24/14/55/283241455.db2.gz IZVHERAXFGTJPQ-RYUDHWBXSA-N 1 0 324.381 1.542 20 5 DDBDRO Cc1nn(C)c(C(=O)N[C@H](C)C[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000598261928 357512259 /nfs/dbraw/zinc/51/22/59/357512259.db2.gz ITEOARMYGHSRRE-LLVKDONJSA-N 1 0 323.397 1.487 20 5 DDBDRO CCOc1ccc(C(=O)N(C)CC2C[NH+](C)C2)cc1[N+](=O)[O-] ZINC000598163992 357479588 /nfs/dbraw/zinc/47/95/88/357479588.db2.gz RYHOWGHPLMRUGS-UHFFFAOYSA-N 1 0 307.350 1.627 20 5 DDBDRO COC(=O)c1ccnc(NC[C@@H](C)C[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000598589296 357643379 /nfs/dbraw/zinc/64/33/79/357643379.db2.gz HULNDZIJQQYBMI-LLVKDONJSA-N 1 0 322.365 1.920 20 5 DDBDRO CC[N@@H+]1CCC[C@H](CNc2nccc(C(=O)OC)c2[N+](=O)[O-])C1 ZINC000598591342 357643775 /nfs/dbraw/zinc/64/37/75/357643775.db2.gz AANKBPMTJKVVKE-LLVKDONJSA-N 1 0 322.365 1.920 20 5 DDBDRO CNc1ccc(C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)cc1[N+](=O)[O-] ZINC000598669028 357678492 /nfs/dbraw/zinc/67/84/92/357678492.db2.gz GOSCEAMISQBDAO-IAQYHMDHSA-N 1 0 304.350 1.590 20 5 DDBDRO [NH3+][C@@]12CCC[C@H]1CN(C(=O)COc1ccccc1[N+](=O)[O-])C2 ZINC000598666940 357677573 /nfs/dbraw/zinc/67/75/73/357677573.db2.gz CIVNXJRRIXBTND-XHDPSFHLSA-N 1 0 305.334 1.313 20 5 DDBDRO CCCc1n[nH]c(C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)c1[N+](=O)[O-] ZINC000598667430 357677579 /nfs/dbraw/zinc/67/75/79/357677579.db2.gz GPPVAZVBJXFPFM-OTYXRUKQSA-N 1 0 307.354 1.224 20 5 DDBDRO COc1ccc(CC(=O)NC2CC([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000598717142 357702589 /nfs/dbraw/zinc/70/25/89/357702589.db2.gz ZACWUONBTKTJTC-UHFFFAOYSA-N 1 0 307.350 1.355 20 5 DDBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCN1CC[C@H](O)C1)C1CC1 ZINC000599094582 357814349 /nfs/dbraw/zinc/81/43/49/357814349.db2.gz VYSKZSWXWHMWOC-JKSUJKDBSA-N 1 0 319.405 1.572 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000599101751 357815594 /nfs/dbraw/zinc/81/55/94/357815594.db2.gz AWUCEMSVMQIEDY-MNOVXSKESA-N 1 0 313.379 1.322 20 5 DDBDRO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@H](O)CC3(O)CCC3)CC2)n1 ZINC000599387082 357919574 /nfs/dbraw/zinc/91/95/74/357919574.db2.gz HKEBKMRWFWVRNN-CYBMUJFWSA-N 1 0 324.381 1.094 20 5 DDBDRO C[NH2+]CCOCCNC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000599603791 357989635 /nfs/dbraw/zinc/98/96/35/357989635.db2.gz ISWPHJJSZHCJAM-UHFFFAOYSA-N 1 0 310.354 1.569 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000599907063 358077828 /nfs/dbraw/zinc/07/78/28/358077828.db2.gz KFETYWIOPJWYTK-JQWIXIFHSA-N 1 0 322.365 1.543 20 5 DDBDRO C[C@@H]1CC[C@H](NC(=O)NCCc2ccccc2[N+](=O)[O-])C[NH2+]1 ZINC000599918764 358080210 /nfs/dbraw/zinc/08/02/10/358080210.db2.gz KHNBWZCNGDQFTI-YPMHNXCESA-N 1 0 306.366 1.577 20 5 DDBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NCCOCCC[NH3+] ZINC000599935819 358085082 /nfs/dbraw/zinc/08/50/82/358085082.db2.gz VPPXEJKIMFHWSF-UHFFFAOYSA-N 1 0 324.381 1.144 20 5 DDBDRO CCCc1n[nH]c(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1[N+](=O)[O-] ZINC000185128341 199813316 /nfs/dbraw/zinc/81/33/16/199813316.db2.gz QNRDFNIVVJHSNI-IVZWLZJFSA-N 1 0 307.354 1.080 20 5 DDBDRO COC(=O)[C@@]1(OC)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000600192456 358152321 /nfs/dbraw/zinc/15/23/21/358152321.db2.gz OQFZEHPSRBVXHJ-OAHLLOKOSA-N 1 0 308.334 1.667 20 5 DDBDRO O=C(NC[C@@H]1CC[N@@H+]1C1CCCCC1)c1[nH]ncc1[N+](=O)[O-] ZINC000600228812 358163404 /nfs/dbraw/zinc/16/34/04/358163404.db2.gz FWOZIMIDOPTOBI-NSHDSACASA-N 1 0 307.354 1.455 20 5 DDBDRO CC1([NH+]2CCOCC2)CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000600410801 358213718 /nfs/dbraw/zinc/21/37/18/358213718.db2.gz NMOYKLVHSPZUDU-UHFFFAOYSA-N 1 0 322.365 1.250 20 5 DDBDRO COC(=O)[C@](C)(NC(=O)[C@H](C)[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000600541447 358251157 /nfs/dbraw/zinc/25/11/57/358251157.db2.gz UZHVONOFVUKUNZ-ZUZCIYMTSA-N 1 0 323.349 1.049 20 5 DDBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1COCCN1 ZINC000600677563 358280283 /nfs/dbraw/zinc/28/02/83/358280283.db2.gz FPBIFGLHXHQQFA-NUEKZKHPSA-N 1 0 319.405 1.884 20 5 DDBDRO C[NH2+]C1(CNC(=O)c2cc(OC)c(F)cc2[N+](=O)[O-])CCC1 ZINC000600827600 358327626 /nfs/dbraw/zinc/32/76/26/358327626.db2.gz WPGBUVJQGHTNIS-UHFFFAOYSA-N 1 0 311.313 1.614 20 5 DDBDRO O=[N+]([O-])c1cc(F)cnc1N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000601113106 358406604 /nfs/dbraw/zinc/40/66/04/358406604.db2.gz CGIUFUXULVFBKL-YPMHNXCESA-N 1 0 310.329 1.164 20 5 DDBDRO Cc1c(C[NH2+]C[C@H](O)C[C@@](C)(O)C2CC2)cccc1[N+](=O)[O-] ZINC000601963266 358755132 /nfs/dbraw/zinc/75/51/32/358755132.db2.gz DYWDRYMLMCEFFW-GDBMZVCRSA-N 1 0 308.378 1.905 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)[C@@H]1CCCCN(C)C1=O ZINC000601976236 358762817 /nfs/dbraw/zinc/76/28/17/358762817.db2.gz OVXQFGDAQMUICC-GFCCVEGCSA-N 1 0 309.370 1.042 20 5 DDBDRO Cc1ccc(NCCCNC(=O)[C@@H](C)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000602110883 358820432 /nfs/dbraw/zinc/82/04/32/358820432.db2.gz LWTJROHBKFCCAD-GFCCVEGCSA-N 1 0 308.382 1.772 20 5 DDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@H]1C[C@@H]([NH+]2CCCC2)C1 ZINC000602175682 358865307 /nfs/dbraw/zinc/86/53/07/358865307.db2.gz ZIHPHHRHCXSKIS-OTVXOJSOSA-N 1 0 303.362 1.880 20 5 DDBDRO O=C(CCC1C[NH2+]C1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000602430473 358971112 /nfs/dbraw/zinc/97/11/12/358971112.db2.gz NIJFGEKVUMTFGZ-UHFFFAOYSA-N 1 0 318.377 1.243 20 5 DDBDRO CO[C@]1(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)CCOC1 ZINC000602432185 358972373 /nfs/dbraw/zinc/97/23/73/358972373.db2.gz DZEUCSPTCLERGP-INIZCTEOSA-N 1 0 321.377 1.522 20 5 DDBDRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000602572313 359050156 /nfs/dbraw/zinc/05/01/56/359050156.db2.gz GMYAIBJIJZTLOW-SMDDNHRTSA-N 1 0 303.362 1.883 20 5 DDBDRO C[C@@H]([NH3+])[C@@H](C)NC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000602496818 359014225 /nfs/dbraw/zinc/01/42/25/359014225.db2.gz VQNITIRGCIRWMU-RNFRBKRXSA-N 1 0 316.155 1.823 20 5 DDBDRO COCCO[C@@H]1COCC[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602626402 359083083 /nfs/dbraw/zinc/08/30/83/359083083.db2.gz YOPFKKUUZKLWPK-HZPDHXFCSA-N 1 0 324.377 1.547 20 5 DDBDRO CC(=O)N1CCC[C@@H](C[NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000602638174 359091405 /nfs/dbraw/zinc/09/14/05/359091405.db2.gz 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DDBDRO [NH3+][C@H](CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CC1 ZINC000194735203 283619270 /nfs/dbraw/zinc/61/92/70/283619270.db2.gz XDDWEJKQPLHUGX-SECBINFHSA-N 1 0 319.770 1.264 20 5 DDBDRO C[NH+]1CCC(CCNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000193501824 201064502 /nfs/dbraw/zinc/06/45/02/201064502.db2.gz ANLADQNLFQJSDM-UHFFFAOYSA-N 1 0 308.338 1.157 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC1CC[NH+](C)CC1 ZINC000193950513 201151635 /nfs/dbraw/zinc/15/16/35/201151635.db2.gz GDVREZNCDIHUOE-UHFFFAOYSA-N 1 0 322.365 1.497 20 5 DDBDRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000619578460 364070540 /nfs/dbraw/zinc/07/05/40/364070540.db2.gz JAGJCYPMKBWURJ-GFCCVEGCSA-N 1 0 309.370 1.042 20 5 DDBDRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000619578381 364070905 /nfs/dbraw/zinc/07/09/05/364070905.db2.gz HAPQTGJOXYQHPT-CYBMUJFWSA-N 1 0 320.393 1.949 20 5 DDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CCN([C@@H]2CCOC2)CC1 ZINC000619485895 364032834 /nfs/dbraw/zinc/03/28/34/364032834.db2.gz RWDWSOSDASAAPL-GFCCVEGCSA-N 1 0 309.370 1.031 20 5 DDBDRO C[C@@H](C(=O)NC[C@](C)(O)CC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000566058840 304112674 /nfs/dbraw/zinc/11/26/74/304112674.db2.gz COOSRZFJMNKWLN-MLGOLLRUSA-N 1 0 323.393 1.517 20 5 DDBDRO Cc1ccc(C(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)cc1[N+](=O)[O-] ZINC000619873733 364170644 /nfs/dbraw/zinc/17/06/44/364170644.db2.gz SVMCDIPZUMDFES-CQSZACIVSA-N 1 0 318.377 1.023 20 5 DDBDRO CCOC(=O)c1cc(C(=O)N2CC[NH2+][C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000275526064 212395086 /nfs/dbraw/zinc/39/50/86/212395086.db2.gz LEFLYJDILKXKBF-JTQLQIEISA-N 1 0 321.333 1.205 20 5 DDBDRO COc1ccc(OCCN2C[C@H]3C[NH2+]C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000359271173 299388762 /nfs/dbraw/zinc/38/87/62/299388762.db2.gz GBSBOVFEJOHBQC-TXEJJXNPSA-N 1 0 307.350 1.133 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000261805821 203122044 /nfs/dbraw/zinc/12/20/44/203122044.db2.gz MXVYRNXCXCHQSS-TXEJJXNPSA-N 1 0 319.361 1.675 20 5 DDBDRO C[NH2+]CCC1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000261961574 203162136 /nfs/dbraw/zinc/16/21/36/203162136.db2.gz AGILEYSJIIKOCF-UHFFFAOYSA-N 1 0 306.366 1.639 20 5 DDBDRO C[C@H]1C[NH2+]CCN1C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000261992352 203168920 /nfs/dbraw/zinc/16/89/20/203168920.db2.gz MMXUZUPOUHPCRJ-NSHDSACASA-N 1 0 315.333 1.214 20 5 DDBDRO O=C(NC[C@@H]1CCC[NH2+]1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000262202132 203228037 /nfs/dbraw/zinc/22/80/37/203228037.db2.gz NEKHHDKEKNFPGW-NSHDSACASA-N 1 0 315.333 1.262 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@H]1CCCCS1(=O)=O ZINC000350361788 284186422 /nfs/dbraw/zinc/18/64/22/284186422.db2.gz WGSHWGTVZZXGPY-CQSZACIVSA-N 1 0 312.391 1.960 20 5 DDBDRO O=[N+]([O-])c1cc(C[NH2+]CCC2CCS(=O)(=O)CC2)cs1 ZINC000350750726 284255434 /nfs/dbraw/zinc/25/54/34/284255434.db2.gz XPAVFLGZUJWOBH-UHFFFAOYSA-N 1 0 318.420 1.961 20 5 DDBDRO C[C@H](CC[NH+](C)C)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000264933902 204282933 /nfs/dbraw/zinc/28/29/33/204282933.db2.gz SZXVACPRVGYRNE-SECBINFHSA-N 1 0 310.310 1.573 20 5 DDBDRO CCC[N@H+](C)C[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000266194180 205172719 /nfs/dbraw/zinc/17/27/19/205172719.db2.gz HLFFQPLTUOJQNY-NSHDSACASA-N 1 0 321.381 1.257 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(N2CC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000266213821 205189524 /nfs/dbraw/zinc/18/95/24/205189524.db2.gz GTFXOHRBDPJVJT-ZDUSSCGKSA-N 1 0 321.377 1.762 20 5 DDBDRO CN(CC(=O)NC[C@H]1CCC[N@@H+]1C)c1ccccc1[N+](=O)[O-] ZINC000266336292 205277178 /nfs/dbraw/zinc/27/71/78/205277178.db2.gz UCKVFLUBEUGLAV-GFCCVEGCSA-N 1 0 306.366 1.241 20 5 DDBDRO [NH3+]CCCNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000160050607 197382199 /nfs/dbraw/zinc/38/21/99/197382199.db2.gz OBTJEWUATKMVPN-UHFFFAOYSA-N 1 0 321.255 1.615 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160063834 197382368 /nfs/dbraw/zinc/38/23/68/197382368.db2.gz DIBGUOGZXZQAIE-CQSZACIVSA-N 1 0 321.377 1.480 20 5 DDBDRO CNc1nc(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000567130811 304199599 /nfs/dbraw/zinc/19/95/99/304199599.db2.gz SSMBRNSQZMWMDX-LLVKDONJSA-N 1 0 319.365 1.342 20 5 DDBDRO C[C@H]1CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000270659809 248651922 /nfs/dbraw/zinc/65/19/22/248651922.db2.gz OPHCNSQWRNMGNQ-IINYFYTJSA-N 1 0 306.366 1.076 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H](C)[C@H]1CCOC1 ZINC000337220611 249395466 /nfs/dbraw/zinc/39/54/66/249395466.db2.gz LTVLRFWWEADULH-RYUDHWBXSA-N 1 0 307.350 1.856 20 5 DDBDRO Cc1c(CN2CCO[C@H]3CC[N@@H+](C)C[C@H]32)cccc1[N+](=O)[O-] ZINC000284471381 218040060 /nfs/dbraw/zinc/04/00/60/218040060.db2.gz AGLHBCNXDNPPAF-CVEARBPZSA-N 1 0 305.378 1.808 20 5 DDBDRO Cc1cc(C(=O)NCC[N@H+]2CCC[C@@H](C)C2)c(N)c([N+](=O)[O-])c1 ZINC000104850680 194046700 /nfs/dbraw/zinc/04/67/00/194046700.db2.gz COHNZNGJWDLJOS-LLVKDONJSA-N 1 0 320.393 1.947 20 5 DDBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1cc(C)cc([N+](=O)[O-])c1N ZINC000104887600 194049598 /nfs/dbraw/zinc/04/95/98/194049598.db2.gz HLVKLSXJWZAAEQ-LLVKDONJSA-N 1 0 308.382 1.946 20 5 DDBDRO O=C(CC[N@H+]1CC[C@](F)(CO)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000338588525 250043017 /nfs/dbraw/zinc/04/30/17/250043017.db2.gz YHQGUZUGYDEVHV-CQSZACIVSA-N 1 0 311.313 1.330 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@@H](C)[NH+](C)[C@H](C)C1 ZINC000339616242 250568688 /nfs/dbraw/zinc/56/86/88/250568688.db2.gz ZXIDNLPDTBWHKL-CHWSQXEVSA-N 1 0 320.393 1.866 20 5 DDBDRO C[NH+](C)CCc1ccc(NC(=O)c2cc([N+](=O)[O-])n[nH]2)cc1 ZINC000285257392 218355326 /nfs/dbraw/zinc/35/53/26/218355326.db2.gz HQFKOIJVUMDJGL-UHFFFAOYSA-N 1 0 303.322 1.674 20 5 DDBDRO CC(C)(C)[C@H]([NH2+]CCCOc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000109329707 194258055 /nfs/dbraw/zinc/25/80/55/194258055.db2.gz QAUBQMHYEBQXSV-CYBMUJFWSA-N 1 0 309.366 1.853 20 5 DDBDRO CC(C)[N@H+](C)CCNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000341084681 251371696 /nfs/dbraw/zinc/37/16/96/251371696.db2.gz JEYQBYXNEIKSMP-UHFFFAOYSA-N 1 0 308.382 1.777 20 5 DDBDRO CCCN(CCN1CC[NH+](CC)CC1)c1c([N+](=O)[O-])ncn1C ZINC000341050649 251355647 /nfs/dbraw/zinc/35/56/47/251355647.db2.gz PYSXKHAQEOYQRO-UHFFFAOYSA-N 1 0 324.429 1.182 20 5 DDBDRO Cc1nn(C)c(C(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)c1[N+](=O)[O-] ZINC000341066155 251364804 /nfs/dbraw/zinc/36/48/04/251364804.db2.gz JNKQKMVXKGHYPJ-PHIMTYICSA-N 1 0 323.397 1.629 20 5 DDBDRO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CC[NH2+]CC1 ZINC000269101161 207240080 /nfs/dbraw/zinc/24/00/80/207240080.db2.gz CRCCLKLYFBCOJD-UHFFFAOYSA-N 1 0 314.139 1.403 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)c1 ZINC000269243672 207374939 /nfs/dbraw/zinc/37/49/39/207374939.db2.gz YCISFPBIXRDNQF-GHMZBOCLSA-N 1 0 307.350 1.721 20 5 DDBDRO CO[C@@H]1C[C@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C1(C)C ZINC000451511608 532964318 /nfs/dbraw/zinc/96/43/18/532964318.db2.gz WSFDJDANLDWEBA-TUKIKUTGSA-N 1 0 324.377 1.738 20 5 DDBDRO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000352412052 285033470 /nfs/dbraw/zinc/03/34/70/285033470.db2.gz BKPHKYYWYLVOMD-ZANVPECISA-N 1 0 313.304 1.877 20 5 DDBDRO O=[N+]([O-])c1cc(F)ccc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000267399813 285095971 /nfs/dbraw/zinc/09/59/71/285095971.db2.gz PEYMDEKRMJWUKL-LBPRGKRZSA-N 1 0 309.341 1.892 20 5 DDBDRO C[C@@H]([NH2+]C[C@H](O)c1cnn(C)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294640343 224137325 /nfs/dbraw/zinc/13/73/25/224137325.db2.gz GHIQXAKNWXQHQZ-OTYXRUKQSA-N 1 0 305.338 1.295 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000158584834 197285957 /nfs/dbraw/zinc/28/59/57/197285957.db2.gz KDUUSBDCRIHEIS-HNNXBMFYSA-N 1 0 305.334 1.429 20 5 DDBDRO COC[C@H]1CCCC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000452028474 533131121 /nfs/dbraw/zinc/13/11/21/533131121.db2.gz HFXUIFUSYPTRKX-HUUCEWRRSA-N 1 0 324.377 1.835 20 5 DDBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](c2nc(=O)[nH][nH]2)C1 ZINC000289482053 221007121 /nfs/dbraw/zinc/00/71/21/221007121.db2.gz RVDLJZZBSPQZCO-ZYHUDNBSSA-N 1 0 317.349 1.947 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000289767378 221213245 /nfs/dbraw/zinc/21/32/45/221213245.db2.gz NFSZWVPBKYCOLL-NWDGAFQWSA-N 1 0 318.377 1.342 20 5 DDBDRO Cc1c(NC(=O)NC[C@@H]2C[NH2+]CCCO2)cccc1[N+](=O)[O-] ZINC000414694900 224374308 /nfs/dbraw/zinc/37/43/08/224374308.db2.gz GMBPFAPIUYQUFD-NSHDSACASA-N 1 0 308.338 1.403 20 5 DDBDRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000121992197 195387038 /nfs/dbraw/zinc/38/70/38/195387038.db2.gz CQFYLQHHTMQCTA-STQMWFEESA-N 1 0 320.393 1.759 20 5 DDBDRO COc1cc(C)ccc1C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000568381915 304289403 /nfs/dbraw/zinc/28/94/03/304289403.db2.gz DWTXKRQTKFKLKY-AWEZNQCLSA-N 1 0 320.349 1.259 20 5 DDBDRO C[C@H](NC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000417147126 533674058 /nfs/dbraw/zinc/67/40/58/533674058.db2.gz ZDMRDFHCDXLNAD-COPLHBTASA-N 1 0 306.366 1.953 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2CCc3ccc(F)cc32)c1 ZINC000570082310 304395006 /nfs/dbraw/zinc/39/50/06/304395006.db2.gz ICUJXNOZFGMHOY-UKRRQHHQSA-N 1 0 320.324 1.568 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@@H]2CCC[NH2+]C2)c1C ZINC000071397242 406838902 /nfs/dbraw/zinc/83/89/02/406838902.db2.gz DULYCXOBZUWZIV-LLVKDONJSA-N 1 0 313.379 1.242 20 5 DDBDRO Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000044502648 407024960 /nfs/dbraw/zinc/02/49/60/407024960.db2.gz GGXLHNCTIUWUDF-LLVKDONJSA-N 1 0 313.379 1.181 20 5 DDBDRO CC[C@H](C)[N@H+](C)CCNC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000079943480 407066117 /nfs/dbraw/zinc/06/61/17/407066117.db2.gz ACKFFDPFOFNKGO-ZDUSSCGKSA-N 1 0 322.409 1.878 20 5 DDBDRO CC[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000054266193 407181072 /nfs/dbraw/zinc/18/10/72/407181072.db2.gz SDHRYCNXYMSFPF-UHFFFAOYSA-N 1 0 307.759 1.136 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC[NH+]1CCCC1 ZINC000103119489 407331639 /nfs/dbraw/zinc/33/16/39/407331639.db2.gz MBXYQZLBDIFLBI-UHFFFAOYSA-N 1 0 307.350 1.771 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)NCCC[NH+]2CCCC2)c1 ZINC000067540621 407275808 /nfs/dbraw/zinc/27/58/08/407275808.db2.gz YNYLUPJZZGTJJD-UHFFFAOYSA-N 1 0 307.350 1.819 20 5 DDBDRO C[N@@H+]1CCCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000097161133 407284399 /nfs/dbraw/zinc/28/43/99/407284399.db2.gz RMXIEFRRTJHRFU-UHFFFAOYSA-N 1 0 303.322 1.249 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000124319855 407354691 /nfs/dbraw/zinc/35/46/91/407354691.db2.gz VTHTYBKRYNZQCH-YPMHNXCESA-N 1 0 323.397 1.431 20 5 DDBDRO Cc1nn(C)c(C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000107599561 407377122 /nfs/dbraw/zinc/37/71/22/407377122.db2.gz XMOPOTVEUHYPQQ-LBPRGKRZSA-N 1 0 321.381 1.337 20 5 DDBDRO C[NH+](C)[C@H]1CCCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000112601667 407433185 /nfs/dbraw/zinc/43/31/85/407433185.db2.gz RFZLPQJKWFWKKL-ZDUSSCGKSA-N 1 0 306.366 1.220 20 5 DDBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H]1CC[NH2+]C1 ZINC000127874880 407474301 /nfs/dbraw/zinc/47/43/01/407474301.db2.gz ONIBBACATIGTNM-WPRPVWTQSA-N 1 0 313.741 1.494 20 5 DDBDRO C[C@H](NC(=O)C[NH2+]C[C@@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000151460808 407440240 /nfs/dbraw/zinc/44/02/40/407440240.db2.gz ZGGMPMNXDCDSEH-FZMZJTMJSA-N 1 0 307.350 1.541 20 5 DDBDRO C[C@@]1(CCCO)CCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000271173362 407554152 /nfs/dbraw/zinc/55/41/52/407554152.db2.gz DUZLUPTXNLJIGG-INIZCTEOSA-N 1 0 321.377 1.821 20 5 DDBDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000170809391 407510710 /nfs/dbraw/zinc/51/07/10/407510710.db2.gz SQYLJKVUPSKUAM-LBPRGKRZSA-N 1 0 322.365 1.139 20 5 DDBDRO Cn1c(C(=O)N(CC[NH3+])Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000261557572 407540764 /nfs/dbraw/zinc/54/07/64/407540764.db2.gz XMACDMYMMHVSKM-UHFFFAOYSA-N 1 0 302.334 1.534 20 5 DDBDRO Cc1c(NC(=O)[C@@H](C)N2CC[C@](C)(C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000261737540 407596297 /nfs/dbraw/zinc/59/62/97/407596297.db2.gz OWNJBAIEDSUWDC-MLGOLLRUSA-N 1 0 320.393 1.901 20 5 DDBDRO Cn1c(C(=O)N(CC[NH3+])CCc2ccccc2)ccc1[N+](=O)[O-] ZINC000261806998 407621487 /nfs/dbraw/zinc/62/14/87/407621487.db2.gz WICPAQUWEQATTP-UHFFFAOYSA-N 1 0 316.361 1.577 20 5 DDBDRO C[NH2+]C[C@@H]1CCN(C(=O)COc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000178982135 407679692 /nfs/dbraw/zinc/67/96/92/407679692.db2.gz CAIOKDMXABQBQE-NSHDSACASA-N 1 0 323.349 1.050 20 5 DDBDRO CCCc1n[nH]c(C(=O)NCC[C@H]2CCC[NH2+]C2)c1[N+](=O)[O-] ZINC000152774241 407688033 /nfs/dbraw/zinc/68/80/33/407688033.db2.gz BCBFXSUUJJBRJI-SNVBAGLBSA-N 1 0 309.370 1.390 20 5 DDBDRO COC(=O)C[C@H]1CCCN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000179123523 407728906 /nfs/dbraw/zinc/72/89/06/407728906.db2.gz FZCWSMFJJBTITO-LLVKDONJSA-N 1 0 321.333 1.561 20 5 DDBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)Cc3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000262314376 407794103 /nfs/dbraw/zinc/79/41/03/407794103.db2.gz QDUZXRIPUJXMRX-VHDGCEQUSA-N 1 0 303.362 1.723 20 5 DDBDRO C[N@H+](CC(=O)NCCc1cccc([N+](=O)[O-])c1)[C@H]1CCSC1 ZINC000132713583 407800778 /nfs/dbraw/zinc/80/07/78/407800778.db2.gz OMXMFSFETZVKET-AWEZNQCLSA-N 1 0 323.418 1.691 20 5 DDBDRO C[NH+](C)[C@@H]1CCC[C@@H](Nc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000267254399 407808440 /nfs/dbraw/zinc/80/84/40/407808440.db2.gz IYDORAZLGDDFQY-VXGBXAGGSA-N 1 0 306.366 1.978 20 5 DDBDRO CC[NH+]1CCC(NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC1 ZINC000272208844 407817848 /nfs/dbraw/zinc/81/78/48/407817848.db2.gz NQWUGKCUBJRXHA-UHFFFAOYSA-N 1 0 321.333 1.538 20 5 DDBDRO C[C@@H]1CCCN(C(=O)CNc2ccccc2[N+](=O)[O-])[C@H]1C[NH3+] ZINC000237500181 407822761 /nfs/dbraw/zinc/82/27/61/407822761.db2.gz PMSRMDXEKXSURK-RISCZKNCSA-N 1 0 306.366 1.593 20 5 DDBDRO [NH3+]CC1(NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CCCC1 ZINC000238021269 407869153 /nfs/dbraw/zinc/86/91/53/407869153.db2.gz BNYAOWFHFVSBOI-UHFFFAOYSA-N 1 0 313.379 1.286 20 5 DDBDRO [NH3+]C[C@H]1CCCN1C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000238054664 407879204 /nfs/dbraw/zinc/87/92/04/407879204.db2.gz HFTBLAUGDNYZES-CQSZACIVSA-N 1 0 315.333 1.344 20 5 DDBDRO CCOC(=O)CC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173465525 407881497 /nfs/dbraw/zinc/88/14/97/407881497.db2.gz LCMKLGYNMXOTNJ-LLVKDONJSA-N 1 0 308.338 1.429 20 5 DDBDRO C[NH+](C)C[C@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000180577978 407901291 /nfs/dbraw/zinc/90/12/91/407901291.db2.gz SMAWAAXSRYCRBJ-SNVBAGLBSA-N 1 0 307.354 1.128 20 5 DDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000180743842 407915641 /nfs/dbraw/zinc/91/56/41/407915641.db2.gz FGJFQXDQLUHDDN-NSHDSACASA-N 1 0 304.350 1.487 20 5 DDBDRO CCCc1n[nH]c(C(=O)N2CC[C@@H]([NH+](CC)CC)C2)c1[N+](=O)[O-] ZINC000174120559 407917419 /nfs/dbraw/zinc/91/74/19/407917419.db2.gz NAWNDYRJJGMMJQ-LLVKDONJSA-N 1 0 323.397 1.827 20 5 DDBDRO C[C@@H]1[NH2+]CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000262774911 407924928 /nfs/dbraw/zinc/92/49/28/407924928.db2.gz KQSGYQVXJGYYBE-QWRGUYRKSA-N 1 0 309.391 1.896 20 5 DDBDRO CC(C)[NH+]1CCC(O)(CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000268418778 408035510 /nfs/dbraw/zinc/03/55/10/408035510.db2.gz AKXOGXCATNUORI-UHFFFAOYSA-N 1 0 321.377 1.560 20 5 DDBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)COc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000272562887 407986479 /nfs/dbraw/zinc/98/64/79/407986479.db2.gz UNRDILDCLUKAFC-JSGCOSHPSA-N 1 0 319.361 1.526 20 5 DDBDRO CSCC[C@H](C)[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000245450842 407987517 /nfs/dbraw/zinc/98/75/17/407987517.db2.gz OZRLKRWEXGKIDH-CMPLNLGQSA-N 1 0 302.400 1.226 20 5 DDBDRO CCOc1ccc(C(=O)N[C@@H]2CC[NH2+][C@H](C)C2)cc1[N+](=O)[O-] ZINC000262984584 407993403 /nfs/dbraw/zinc/99/34/03/407993403.db2.gz ZDKNLZNUPXIUOP-ZYHUDNBSSA-N 1 0 307.350 1.864 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000272662117 408008714 /nfs/dbraw/zinc/00/87/14/408008714.db2.gz HCHQDRJIMCSVFH-LLVKDONJSA-N 1 0 321.381 1.256 20 5 DDBDRO Cn1cc(C[NH2+][C@@H]2CCOC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000181991397 408062202 /nfs/dbraw/zinc/06/22/02/408062202.db2.gz FJRQVVDTJQAPLI-CYBMUJFWSA-N 1 0 302.334 1.874 20 5 DDBDRO COc1ccc(C[N@@H+]2CCC[C@@H](CC(N)=O)C2)cc1[N+](=O)[O-] ZINC000175242749 408086487 /nfs/dbraw/zinc/08/64/87/408086487.db2.gz CAZGNSMIEPJELL-NSHDSACASA-N 1 0 307.350 1.691 20 5 DDBDRO CC(C)(C)CC[NH+]1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000137713078 408162547 /nfs/dbraw/zinc/16/25/47/408162547.db2.gz OSXDGFRQGXMKIE-UHFFFAOYSA-N 1 0 309.370 1.512 20 5 DDBDRO CCC[NH2+]CCNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000138073656 408166640 /nfs/dbraw/zinc/16/66/40/408166640.db2.gz VVAGSGBQTYALRB-UHFFFAOYSA-N 1 0 301.368 1.410 20 5 DDBDRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNc1ncccc1[N+](=O)[O-] ZINC000263753852 408241174 /nfs/dbraw/zinc/24/11/74/408241174.db2.gz TUDJXGSXHTVBLE-ZDUSSCGKSA-N 1 0 321.381 1.344 20 5 DDBDRO COc1ccc(C[N@H+](C)C[C@@H]2CCN(C(C)=O)C2)cc1[N+](=O)[O-] ZINC000156510268 408257997 /nfs/dbraw/zinc/25/79/97/408257997.db2.gz GMCWEYNDONKYFD-AWEZNQCLSA-N 1 0 321.377 1.904 20 5 DDBDRO CC[N@@H+]1CC[C@H](CNC(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])C1 ZINC000269350269 408279023 /nfs/dbraw/zinc/27/90/23/408279023.db2.gz GHJDKIJYEOLNSI-SNVBAGLBSA-N 1 0 309.370 1.513 20 5 DDBDRO CNC(=O)c1ccc(C[N@H+](C)CCn2ccc([N+](=O)[O-])n2)cc1 ZINC000176198198 408307010 /nfs/dbraw/zinc/30/70/10/408307010.db2.gz ZGZJEWSEDWZBGY-UHFFFAOYSA-N 1 0 317.349 1.283 20 5 DDBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000246819642 408347496 /nfs/dbraw/zinc/34/74/96/408347496.db2.gz RHBTUNGJJKYYNF-SWLSCSKDSA-N 1 0 305.378 1.936 20 5 DDBDRO CC(C)(O)C[NH+]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000173586780 162349879 /nfs/dbraw/zinc/34/98/79/162349879.db2.gz TZBFZSFSNJAGSH-UHFFFAOYSA-N 1 0 321.377 1.052 20 5 DDBDRO CC(=O)NCCC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174244196 162399950 /nfs/dbraw/zinc/39/99/50/162399950.db2.gz BNKDOGSYDKOVOA-UHFFFAOYSA-N 1 0 321.377 1.964 20 5 DDBDRO CC(C)[NH2+]C1CCN(C(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000183592535 408449642 /nfs/dbraw/zinc/44/96/42/408449642.db2.gz RNIRTYOGSCQNMB-UHFFFAOYSA-N 1 0 307.354 1.984 20 5 DDBDRO CC(C)C[NH+]1CCN(C(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000183627133 408459682 /nfs/dbraw/zinc/45/96/82/408459682.db2.gz QGOOIAVCLRIXRT-UHFFFAOYSA-N 1 0 307.354 1.795 20 5 DDBDRO Cc1c(C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000264443553 408490656 /nfs/dbraw/zinc/49/06/56/408490656.db2.gz ONNYQXGTKGALHA-LBPRGKRZSA-N 1 0 320.393 1.269 20 5 DDBDRO CNC(=O)[C@@H](C)C[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000177208296 408552372 /nfs/dbraw/zinc/55/23/72/408552372.db2.gz XBIIPUCODXXVPU-VIFPVBQESA-N 1 0 306.322 1.550 20 5 DDBDRO C[NH+](C)[C@H]1CCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000270503124 408553532 /nfs/dbraw/zinc/55/35/32/408553532.db2.gz KISCSTKIHMODPY-AWEZNQCLSA-N 1 0 306.366 1.483 20 5 DDBDRO CC1(O)CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000177314432 408578698 /nfs/dbraw/zinc/57/86/98/408578698.db2.gz SQDWZXLFWVPSDI-UHFFFAOYSA-N 1 0 307.350 1.770 20 5 DDBDRO C[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000162692327 408725973 /nfs/dbraw/zinc/72/59/73/408725973.db2.gz ZQVKMDVMTJCLNH-XQQFMLRXSA-N 1 0 310.350 1.349 20 5 DDBDRO C[C@@H]1C[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC[C@H]1O ZINC000249527349 408736903 /nfs/dbraw/zinc/73/69/03/408736903.db2.gz AGGVRCOBRWMDOF-YRGRVCCFSA-N 1 0 310.350 1.037 20 5 DDBDRO COc1cc(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000185037508 408742630 /nfs/dbraw/zinc/74/26/30/408742630.db2.gz MUMKBEYOYZSZAO-QJPTWQEYSA-N 1 0 305.334 1.413 20 5 DDBDRO CN(CC[N@H+](C)C1CC1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000185238621 408785941 /nfs/dbraw/zinc/78/59/41/408785941.db2.gz DAOMRIZYNDSUCS-UHFFFAOYSA-N 1 0 319.408 1.371 20 5 DDBDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000185248035 408787496 /nfs/dbraw/zinc/78/74/96/408787496.db2.gz LJKCFSJDHWLBPH-ZJUUUORDSA-N 1 0 307.354 1.175 20 5 DDBDRO O=[N+]([O-])c1cccc(OCCN2CCO[C@@]3(CCOC3)C2)c1 ZINC000185186719 408775980 /nfs/dbraw/zinc/77/59/80/408775980.db2.gz OEFRDLYVSZPJEM-HNNXBMFYSA-N 1 0 308.334 1.465 20 5 DDBDRO C[C@@H](C(=O)N1CC[C@H]([NH+](C)C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000185181835 408776854 /nfs/dbraw/zinc/77/68/54/408776854.db2.gz JKVPEECIOBHJNJ-PWSUYJOCSA-N 1 0 309.341 2.000 20 5 DDBDRO C[N@H+](CCCCO)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000276323430 408836238 /nfs/dbraw/zinc/83/62/38/408836238.db2.gz DQJBGZCGXZDLJK-UHFFFAOYSA-N 1 0 313.329 1.767 20 5 DDBDRO NC(=O)c1ccnc(NC[C@H]2CCCC[N@@H+]2C2CC2)c1[N+](=O)[O-] ZINC000290986575 408856491 /nfs/dbraw/zinc/85/64/91/408856491.db2.gz SKENCUVPBAIZIN-LLVKDONJSA-N 1 0 319.365 1.518 20 5 DDBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000291227831 408862590 /nfs/dbraw/zinc/86/25/90/408862590.db2.gz WLLPQRIILGESLJ-QWRGUYRKSA-N 1 0 319.365 1.152 20 5 DDBDRO C[NH+](C)CCCC1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000285945214 408893566 /nfs/dbraw/zinc/89/35/66/408893566.db2.gz YYHAJXQGWHBTIK-UHFFFAOYSA-N 1 0 309.370 1.512 20 5 DDBDRO NC(=O)C1([NH2+]CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000183814753 306712516 /nfs/dbraw/zinc/71/25/16/306712516.db2.gz NMUGKNWCSFCLPV-UHFFFAOYSA-N 1 0 316.317 1.400 20 5 DDBDRO CSc1ccc(C(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000192515870 163224989 /nfs/dbraw/zinc/22/49/89/163224989.db2.gz ZNQGYPXYDHPNNF-TXEJJXNPSA-N 1 0 321.402 1.950 20 5 DDBDRO Cc1nn(C)c(C(=O)NCCC[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000194132030 163276451 /nfs/dbraw/zinc/27/64/51/163276451.db2.gz HBIYJQIRRNUUOO-UHFFFAOYSA-N 1 0 309.370 1.243 20 5 DDBDRO CN(CC(=O)N1CCCC[C@H]1CC[NH3+])c1ccccc1[N+](=O)[O-] ZINC000286266187 408951645 /nfs/dbraw/zinc/95/16/45/408951645.db2.gz VTPMXIRLHJJJGW-ZDUSSCGKSA-N 1 0 320.393 1.761 20 5 DDBDRO C[C@H]1COCC[C@@H]1[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000277522699 408957260 /nfs/dbraw/zinc/95/72/60/408957260.db2.gz QYRVZTNAILIVFE-FZMZJTMJSA-N 1 0 319.361 1.499 20 5 DDBDRO CC[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000277567867 408966626 /nfs/dbraw/zinc/96/66/26/408966626.db2.gz KVLJRPKDLLESCW-UHFFFAOYSA-N 1 0 307.350 1.818 20 5 DDBDRO C[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1(CO)CCC1 ZINC000292123164 408984483 /nfs/dbraw/zinc/98/44/83/408984483.db2.gz KKODWHSZMCCWRK-GFCCVEGCSA-N 1 0 310.350 1.181 20 5 DDBDRO Cc1c(NC(=O)C(=O)NC[C@H](C)C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000293223661 409070801 /nfs/dbraw/zinc/07/08/01/409070801.db2.gz QFWWVSLOUSPWOK-JTQLQIEISA-N 1 0 322.365 1.156 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000293535902 409132907 /nfs/dbraw/zinc/13/29/07/409132907.db2.gz VKSBIUVJVATSFG-SMDDNHRTSA-N 1 0 318.377 1.485 20 5 DDBDRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000278214092 409078040 /nfs/dbraw/zinc/07/80/40/409078040.db2.gz IRNQQVCVKYGTSD-ONGXEEELSA-N 1 0 321.333 1.236 20 5 DDBDRO C[C@@H](CNC(=O)CCOc1ccccc1[N+](=O)[O-])C[NH+](C)C ZINC000293740478 409171143 /nfs/dbraw/zinc/17/11/43/409171143.db2.gz LHTYKCHDNNXUMP-LBPRGKRZSA-N 1 0 309.366 1.678 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCC[N@H+](C)CC2)c1 ZINC000283555317 409175270 /nfs/dbraw/zinc/17/52/70/409175270.db2.gz IGZDDYUOLBCLGI-UHFFFAOYSA-N 1 0 307.350 1.771 20 5 DDBDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)c3cc([N+](=O)[O-])ccc3N)C2)C1 ZINC000294008168 409224086 /nfs/dbraw/zinc/22/40/86/409224086.db2.gz XXFULAHAMASZFU-OAHLLOKOSA-N 1 0 304.350 1.345 20 5 DDBDRO C[NH2+][C@@H](C)Cc1noc(CN(C)c2ccccc2[N+](=O)[O-])n1 ZINC000261906211 163725710 /nfs/dbraw/zinc/72/57/10/163725710.db2.gz ZCJBCIVGBZUNOP-JTQLQIEISA-N 1 0 305.338 1.765 20 5 DDBDRO Cc1cc(OCC(=O)NCC[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000280686825 409409290 /nfs/dbraw/zinc/40/92/90/409409290.db2.gz ZGJKZZMFKAPRST-UHFFFAOYSA-N 1 0 321.377 1.884 20 5 DDBDRO Cc1cc(OCC(=O)N2CC[NH+](C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000280688660 409411599 /nfs/dbraw/zinc/41/15/99/409411599.db2.gz ZIUHIFRCOCVELD-UHFFFAOYSA-N 1 0 321.377 1.835 20 5 DDBDRO COc1cc(C(=O)N[C@H](C)CCC[NH3+])cc([N+](=O)[O-])c1OC ZINC000295302910 409422633 /nfs/dbraw/zinc/42/26/33/409422633.db2.gz VFYQJPXJJXJVNI-SECBINFHSA-N 1 0 311.338 1.469 20 5 DDBDRO Cc1cccc(C(=O)NCCC[N@@H+](C)CCN(C)C)c1[N+](=O)[O-] ZINC000290598069 409457698 /nfs/dbraw/zinc/45/76/98/409457698.db2.gz JEELESCZKZYZLY-UHFFFAOYSA-N 1 0 322.409 1.517 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)N2CC[NH+]3CCC2CC3)c1[N+](=O)[O-] ZINC000408162483 164247658 /nfs/dbraw/zinc/24/76/58/164247658.db2.gz XAEOYNQTOCJPND-UHFFFAOYSA-N 1 0 307.354 1.362 20 5 DDBDRO CS[C@@H]1CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000296285328 409491073 /nfs/dbraw/zinc/49/10/73/409491073.db2.gz MYQWMPKSCVSILQ-CYBMUJFWSA-N 1 0 321.402 1.921 20 5 DDBDRO C[C@@H]([NH2+]C[C@H](C)CS(C)(=O)=O)c1ccccc1[N+](=O)[O-] ZINC000342301918 409568560 /nfs/dbraw/zinc/56/85/60/409568560.db2.gz NKCIRHREEJXORL-WDEREUQCSA-N 1 0 300.380 1.926 20 5 DDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC1([NH3+])CCC1 ZINC000342526916 409698137 /nfs/dbraw/zinc/69/81/37/409698137.db2.gz MPTNHXWCBLZHSM-UHFFFAOYSA-N 1 0 313.379 1.317 20 5 DDBDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000356853676 409664809 /nfs/dbraw/zinc/66/48/09/409664809.db2.gz OCQLLPAPJFTRSG-NWDGAFQWSA-N 1 0 307.350 1.525 20 5 DDBDRO C[N@H+](CCNc1nccc(C(N)=O)c1[N+](=O)[O-])C1CCCCC1 ZINC000357188547 409930362 /nfs/dbraw/zinc/93/03/62/409930362.db2.gz MOLUAQLHADGXNB-UHFFFAOYSA-N 1 0 321.381 1.765 20 5 DDBDRO COc1c(C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000354580875 409950450 /nfs/dbraw/zinc/95/04/50/409950450.db2.gz DCVPVFAROQESSF-RYUDHWBXSA-N 1 0 319.361 1.960 20 5 DDBDRO C[C@H]1C[C@@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000357425040 410033588 /nfs/dbraw/zinc/03/35/88/410033588.db2.gz RNABGSZGIMXGOO-STQMWFEESA-N 1 0 321.377 1.963 20 5 DDBDRO COC(=O)[C@@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000346609480 410035554 /nfs/dbraw/zinc/03/55/54/410035554.db2.gz CZPGRZWINQMHCX-BXUZGUMPSA-N 1 0 308.334 1.857 20 5 DDBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342922042 410002275 /nfs/dbraw/zinc/00/22/75/410002275.db2.gz UAOJLNKCOJYTTK-SNVBAGLBSA-N 1 0 302.334 1.900 20 5 DDBDRO COC(=O)[C@@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000346636821 410050897 /nfs/dbraw/zinc/05/08/97/410050897.db2.gz HYRLTIBECBWALE-NWDGAFQWSA-N 1 0 308.334 1.857 20 5 DDBDRO COc1cc(CN2CC[C@H]([C@@H](C)[NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000346647657 410056737 /nfs/dbraw/zinc/05/67/37/410056737.db2.gz BAFCOBNHKBBAFT-MNOVXSKESA-N 1 0 309.366 1.781 20 5 DDBDRO CC[N@@H+]1CC[C@@H]2OCCN(Cc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000339389466 410149867 /nfs/dbraw/zinc/14/98/67/410149867.db2.gz CCSAYMMOILPBAN-CVEARBPZSA-N 1 0 305.378 1.890 20 5 DDBDRO CC[N@@H+]1CC[C@H]2OCCN(CCc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000339393319 410154951 /nfs/dbraw/zinc/15/49/51/410154951.db2.gz FOCNWHNXAFSCCW-IAGOWNOFSA-N 1 0 319.405 1.932 20 5 DDBDRO CC1(C)C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H]2CCC[C@H]21 ZINC000339721820 410417249 /nfs/dbraw/zinc/41/72/49/410417249.db2.gz YPFODDBSGORYJY-MJBXVCDLSA-N 1 0 308.382 1.663 20 5 DDBDRO C[C@H](CNc1ncc([N+](=O)[O-])cc1C(N)=O)C[NH+]1CCCC1 ZINC000298721080 410367231 /nfs/dbraw/zinc/36/72/31/410367231.db2.gz KIKMCYRYMRXZQW-SNVBAGLBSA-N 1 0 307.354 1.233 20 5 DDBDRO C[NH+]1CCN(CCNc2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000298727411 410369934 /nfs/dbraw/zinc/36/99/34/410369934.db2.gz RBBSCFIOMATAAY-UHFFFAOYSA-N 1 0 315.377 1.802 20 5 DDBDRO Cc1nn(C)c(C(=O)NCC[N@H+]2CC=C(C)CC2)c1[N+](=O)[O-] ZINC000355341599 410456336 /nfs/dbraw/zinc/45/63/36/410456336.db2.gz WXATXJOQGGJSIK-UHFFFAOYSA-N 1 0 307.354 1.019 20 5 DDBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H](NC(N)=O)C1 ZINC000347361674 410495093 /nfs/dbraw/zinc/49/50/93/410495093.db2.gz PWMBVKBYKCWAIX-YLBKJLTLSA-N 1 0 304.350 1.741 20 5 DDBDRO C[C@H]1CC[N@H+](C)CCN1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000355500535 410548216 /nfs/dbraw/zinc/54/82/16/410548216.db2.gz DRVDVUKZJLVDLR-ZDUSSCGKSA-N 1 0 320.393 1.873 20 5 DDBDRO C[C@H]1[C@@H](NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CCC[N@@H+]1C ZINC000343583804 410551089 /nfs/dbraw/zinc/55/10/89/410551089.db2.gz ZKEAPTRZIIRKNT-ONGXEEELSA-N 1 0 321.333 1.536 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000334042910 410626105 /nfs/dbraw/zinc/62/61/05/410626105.db2.gz ZXBBAYIHMVIKSX-MNOVXSKESA-N 1 0 307.350 1.816 20 5 DDBDRO Cc1c(CNC(=O)NCC2=CC[N@H+](C)CC2)cccc1[N+](=O)[O-] ZINC000359538044 410717702 /nfs/dbraw/zinc/71/77/02/410717702.db2.gz AZECNXWTFWNFPC-UHFFFAOYSA-N 1 0 318.377 1.964 20 5 DDBDRO Cc1noc(CCC[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)n1 ZINC000347803664 410726304 /nfs/dbraw/zinc/72/63/04/410726304.db2.gz YKMNTFHOZBGGFK-UHFFFAOYSA-N 1 0 303.322 1.672 20 5 DDBDRO Cn1nccc1C[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337459059 410802499 /nfs/dbraw/zinc/80/24/99/410802499.db2.gz JJMXPDTYMYJUPK-UHFFFAOYSA-N 1 0 317.349 1.789 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1CN1CC[NH+](CCC(C)(C)C)CC1 ZINC000331070985 410930184 /nfs/dbraw/zinc/93/01/84/410930184.db2.gz SLIBYWRJCBIRCL-UHFFFAOYSA-N 1 0 309.414 1.882 20 5 DDBDRO Cn1c(C(=O)NC[C@@]2([NH+](C)C)CCSC2)ccc1[N+](=O)[O-] ZINC000331101960 410948301 /nfs/dbraw/zinc/94/83/01/410948301.db2.gz OZXLENIDUKCCJK-ZDUSSCGKSA-N 1 0 312.395 1.100 20 5 DDBDRO CN(CC[N@H+](C)C1CCCCC1)C(=O)c1cc([N+](=O)[O-])nn1C ZINC000356482082 411050470 /nfs/dbraw/zinc/05/04/70/411050470.db2.gz QMWXPUXZLUVGOZ-UHFFFAOYSA-N 1 0 323.397 1.665 20 5 DDBDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])nn1C ZINC000356442879 411034150 /nfs/dbraw/zinc/03/41/50/411034150.db2.gz DLHZDIHSQJDHJD-GFCCVEGCSA-N 1 0 323.397 1.713 20 5 DDBDRO C[NH+](C)[C@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)Cc1ccccc1 ZINC000348629745 411040209 /nfs/dbraw/zinc/04/02/09/411040209.db2.gz HYRVXZDCVBVMQU-LBPRGKRZSA-N 1 0 317.349 1.221 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000571550995 304469771 /nfs/dbraw/zinc/46/97/71/304469771.db2.gz UQGHNDNZNJXNPF-GXFFZTMASA-N 1 0 307.350 1.851 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@H]2CCCOCC2)c1 ZINC000580709891 422949149 /nfs/dbraw/zinc/94/91/49/422949149.db2.gz PXJDAMITKODGJU-GXTWGEPZSA-N 1 0 310.350 1.493 20 5 DDBDRO O=C(NCCCC[N@H+]1CCC[C@H]1CO)c1ccc([N+](=O)[O-])o1 ZINC000134069314 196358640 /nfs/dbraw/zinc/35/86/40/196358640.db2.gz QOCQLCURJKUPPO-NSHDSACASA-N 1 0 311.338 1.155 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000417172970 225232779 /nfs/dbraw/zinc/23/27/79/225232779.db2.gz GPFKPCORINCVJP-WDEREUQCSA-N 1 0 322.365 1.482 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@H]1CCC[NH2+]C1 ZINC000417193357 225239809 /nfs/dbraw/zinc/23/98/09/225239809.db2.gz LJZLPMLPEPHARI-NSHDSACASA-N 1 0 322.365 1.402 20 5 DDBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+][C@@H]1COC[C@H]1O ZINC000295934511 225392669 /nfs/dbraw/zinc/39/26/69/225392669.db2.gz KZIZCKWLRDYPBH-XKVFNRALSA-N 1 0 306.362 1.655 20 5 DDBDRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000418584715 225812753 /nfs/dbraw/zinc/81/27/53/225812753.db2.gz CMLIFOMHUJERSI-YPMHNXCESA-N 1 0 306.366 1.734 20 5 DDBDRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000419322456 226113644 /nfs/dbraw/zinc/11/36/44/226113644.db2.gz HKDGQTWFYUWDMQ-ZIAGYGMSSA-N 1 0 323.393 1.361 20 5 DDBDRO C[C@H]1OCC[C@]12CN(Cc1c([N+](=O)[O-])ncn1C)C[C@@H](C)O2 ZINC000366085774 418428454 /nfs/dbraw/zinc/42/84/54/418428454.db2.gz HBWCOSCTKYTGRL-GYSYKLTISA-N 1 0 310.354 1.097 20 5 DDBDRO O=C([C@H]1C[C@H]1[N+](=O)[O-])N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000373461927 418431817 /nfs/dbraw/zinc/43/18/17/418431817.db2.gz SIWSWKUMUOWVGP-XUWVNRHRSA-N 1 0 315.373 1.242 20 5 DDBDRO Cc1nn(C)c(C(=O)N2CCC[C@@H]3C[NH2+]CCC[C@@H]32)c1[N+](=O)[O-] ZINC000373549472 418437823 /nfs/dbraw/zinc/43/78/23/418437823.db2.gz SJNMNOPNXNUZOE-NEPJUHHUSA-N 1 0 321.381 1.241 20 5 DDBDRO O=C(Nc1ccncc1[N+](=O)[O-])NC1CC([NH+]2CCCCC2)C1 ZINC000373931458 418475030 /nfs/dbraw/zinc/47/50/30/418475030.db2.gz WCLHGIXYBTZLNE-UHFFFAOYSA-N 1 0 319.365 1.550 20 5 DDBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])nn2C)[C@H](C)C1 ZINC000360740312 418504680 /nfs/dbraw/zinc/50/46/80/418504680.db2.gz VZUDDLHQLRPBNV-GHMZBOCLSA-N 1 0 309.370 1.131 20 5 DDBDRO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCO[C@H]2C[NH2+]C[C@H]21 ZINC000374601173 418545134 /nfs/dbraw/zinc/54/51/34/418545134.db2.gz GRLFBJWFXSWWTA-NEPJUHHUSA-N 1 0 311.725 1.061 20 5 DDBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2nn(CC)cc2[N+](=O)[O-])C1 ZINC000191830070 222109941 /nfs/dbraw/zinc/10/99/41/222109941.db2.gz CCIZMBWZRZSUGB-LBPRGKRZSA-N 1 0 323.397 1.615 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)n1 ZINC000191814903 222110392 /nfs/dbraw/zinc/11/03/92/222110392.db2.gz KYURIMWZMSHPGJ-QWRGUYRKSA-N 1 0 307.354 1.120 20 5 DDBDRO C[C@H](Cn1cccn1)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000361274202 418616273 /nfs/dbraw/zinc/61/62/73/418616273.db2.gz QOENPQGYFNONBU-SNVBAGLBSA-N 1 0 300.322 1.846 20 5 DDBDRO C[C@H]1C[C@H](Nc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CC[N@@H+]1C ZINC000342362614 418627976 /nfs/dbraw/zinc/62/79/76/418627976.db2.gz 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O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCCC[C@H](CO)C1 ZINC000371688062 418808727 /nfs/dbraw/zinc/80/87/27/418808727.db2.gz CLWUJUQLBRZLQK-UONOGXRCSA-N 1 0 324.377 1.429 20 5 DDBDRO COC1(C[N@@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)CCOCC1 ZINC000365426238 418859792 /nfs/dbraw/zinc/85/97/92/418859792.db2.gz UXVYBMISGHFPKG-CYBMUJFWSA-N 1 0 324.381 1.624 20 5 DDBDRO [NH3+][C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000372491994 418878034 /nfs/dbraw/zinc/87/80/34/418878034.db2.gz PXUWCQYUCHOKIW-JGPRNRPPSA-N 1 0 323.324 1.593 20 5 DDBDRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@H]1C[C@H]1[N+](=O)[O-] ZINC000372839452 418907103 /nfs/dbraw/zinc/90/71/03/418907103.db2.gz OOYWVLVNBPGOQL-LSDHHAIUSA-N 1 0 318.377 1.422 20 5 DDBDRO O=C(NC[C@@H]1CC[NH2+]C1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000423541819 227535616 /nfs/dbraw/zinc/53/56/16/227535616.db2.gz AZGBCJRDUOZRQW-SNVBAGLBSA-N 1 0 300.318 1.482 20 5 DDBDRO C[C@@H]1C[C@@H](C)N(C(=O)COc2ccc([N+](=O)[O-])cc2)C[C@@H]1C[NH3+] ZINC000424061647 228223949 /nfs/dbraw/zinc/22/39/49/228223949.db2.gz YFLSGLABBWQPPF-UPJWGTAASA-N 1 0 321.377 1.805 20 5 DDBDRO C[C@@H]1C[C@@H](CO)C[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000420952403 419382135 /nfs/dbraw/zinc/38/21/35/419382135.db2.gz XWDXCUIEEUJJLA-VXGBXAGGSA-N 1 0 322.361 1.912 20 5 DDBDRO COC(=O)[C@H]1CN([C@H](C)c2ccccc2[N+](=O)[O-])CC[N@H+](C)C1 ZINC000411912323 419475344 /nfs/dbraw/zinc/47/53/44/419475344.db2.gz VGKZXMDOVOWJLI-CHWSQXEVSA-N 1 0 321.377 1.692 20 5 DDBDRO Cc1c(CNC(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000418077342 419514194 /nfs/dbraw/zinc/51/41/94/419514194.db2.gz HPUFCNUQTHVHSU-QWRGUYRKSA-N 1 0 306.366 1.795 20 5 DDBDRO Cc1c(CNC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000418081434 419516229 /nfs/dbraw/zinc/51/62/29/419516229.db2.gz ODOFUCBAPAIKRH-OLZOCXBDSA-N 1 0 306.366 1.972 20 5 DDBDRO C[C@H](NC(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000418233993 419634972 /nfs/dbraw/zinc/63/49/72/419634972.db2.gz PIRGKPIDIAZLHY-FPMFFAJLSA-N 1 0 318.377 1.907 20 5 DDBDRO CNC(=O)NC1CC[NH+](Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000412055078 419599149 /nfs/dbraw/zinc/59/91/49/419599149.db2.gz NZJWYXHFMQRZOE-UHFFFAOYSA-N 1 0 306.366 1.797 20 5 DDBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NCCC[NH2+]C1CC1 ZINC000418303816 419690376 /nfs/dbraw/zinc/69/03/76/419690376.db2.gz UABGWKWCUZJONT-UHFFFAOYSA-N 1 0 320.393 1.921 20 5 DDBDRO C[NH2+]C[C@H](C)CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000418360037 419741134 /nfs/dbraw/zinc/74/11/34/419741134.db2.gz JSSXXAKDQFIHDT-NSHDSACASA-N 1 0 306.366 1.518 20 5 DDBDRO O=C(NC[C@@H]1CCC[NH2+]1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000418376524 419752533 /nfs/dbraw/zinc/75/25/33/419752533.db2.gz UTFBSDOACTXNEX-ZDUSSCGKSA-N 1 0 304.350 1.415 20 5 DDBDRO Cn1cc(CNCC2([NH3+])CCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000414885192 419859383 /nfs/dbraw/zinc/85/93/83/419859383.db2.gz WPKAZGCZQDEVGQ-UHFFFAOYSA-N 1 0 315.377 1.966 20 5 DDBDRO C[C@@H]1CN(C/C=C\c2ccccc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000428460083 419873404 /nfs/dbraw/zinc/87/34/04/419873404.db2.gz FYAIIRXUAMBPQI-KXQLTZBTSA-N 1 0 305.378 1.606 20 5 DDBDRO C[C@H](CNC(=O)Cn1ccc([N+](=O)[O-])n1)C[NH+]1CCCCC1 ZINC000299311630 229044216 /nfs/dbraw/zinc/04/42/16/229044216.db2.gz VZSXGYUBONVKDS-GFCCVEGCSA-N 1 0 309.370 1.030 20 5 DDBDRO COc1cc(C(=O)N2CCC[NH2+]CC2)cc([N+](=O)[O-])c1OC ZINC000428413665 419863735 /nfs/dbraw/zinc/86/37/35/419863735.db2.gz MRUXWOMAKGQAOS-UHFFFAOYSA-N 1 0 309.322 1.048 20 5 DDBDRO C[C@]12CC[N@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C[C@H]1C2(F)F ZINC000428711731 419919938 /nfs/dbraw/zinc/91/99/38/419919938.db2.gz LWUXKMKWCJRREG-TUAOUCFPSA-N 1 0 316.308 1.129 20 5 DDBDRO NC(=O)c1ccc(CN(C2CC2)[C@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000435247471 229368298 /nfs/dbraw/zinc/36/82/98/229368298.db2.gz KYYUPIDWKAWSSY-ZDUSSCGKSA-N 1 0 304.350 1.020 20 5 DDBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000418785427 419982224 /nfs/dbraw/zinc/98/22/24/419982224.db2.gz HYFKEFRYTOFRKT-JSGCOSHPSA-N 1 0 320.393 1.906 20 5 DDBDRO Cc1ccc(NCCCNC(=O)CC2(C[NH3+])CC2)c([N+](=O)[O-])c1 ZINC000423206215 419985979 /nfs/dbraw/zinc/98/59/79/419985979.db2.gz BNXQEDIYXGNXGD-UHFFFAOYSA-N 1 0 320.393 1.950 20 5 DDBDRO CC(C)[C@H]([NH3+])C[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000423268590 419999251 /nfs/dbraw/zinc/99/92/51/419999251.db2.gz GPSPLAYWGIKICB-BXUZGUMPSA-N 1 0 308.382 1.885 20 5 DDBDRO C[C@@H]1CN(CCn2cc([N+](=O)[O-])cn2)CC[N@@H+](C2CCC2)C1 ZINC000429385349 420009789 /nfs/dbraw/zinc/00/97/89/420009789.db2.gz VKKVSZITFJTDHW-CYBMUJFWSA-N 1 0 307.398 1.598 20 5 DDBDRO Cc1c(NC(=O)C(=O)N2CC[NH2+]C(C)(C)C2)cccc1[N+](=O)[O-] ZINC000415820877 420190612 /nfs/dbraw/zinc/19/06/12/420190612.db2.gz DCKSPGSYQRTIPL-UHFFFAOYSA-N 1 0 320.349 1.052 20 5 DDBDRO [NH3+]C[C@@H](NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000415825336 420191530 /nfs/dbraw/zinc/19/15/30/420191530.db2.gz ZHZGSZKSCBXMJY-CYBMUJFWSA-N 1 0 320.349 1.167 20 5 DDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000430924113 420207596 /nfs/dbraw/zinc/20/75/96/420207596.db2.gz HJRJQFWAENAXCV-GRYCIOLGSA-N 1 0 306.366 1.604 20 5 DDBDRO C[NH2+]C[C@@H]1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000430934219 420213910 /nfs/dbraw/zinc/21/39/10/420213910.db2.gz NXIKXLGZXGROEQ-NSHDSACASA-N 1 0 317.349 1.686 20 5 DDBDRO C[NH2+][C@@H]1CCN(CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000430611865 420158321 /nfs/dbraw/zinc/15/83/21/420158321.db2.gz PWFSUUUXGJHTQE-GFCCVEGCSA-N 1 0 306.366 1.526 20 5 DDBDRO C[C@H]1CC[NH2+]C[C@@H]1Nc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000420238992 420165006 /nfs/dbraw/zinc/16/50/06/420165006.db2.gz LKNZMNSNYDQAEA-CABZTGNLSA-N 1 0 303.322 2.055 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@@H](C[NH3+])C1 ZINC000430645526 420168732 /nfs/dbraw/zinc/16/87/32/420168732.db2.gz UZSUNUAPURZKFP-NSHDSACASA-N 1 0 322.365 1.213 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000420355085 420231147 /nfs/dbraw/zinc/23/11/47/420231147.db2.gz BPRQNIUIOMRJMX-BFQNTYOBSA-N 1 0 320.393 1.818 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](C[NH3+])C(C)(C)C ZINC000420366983 420241968 /nfs/dbraw/zinc/24/19/68/420241968.db2.gz RSPOTDYPNVWOJG-ZDUSSCGKSA-N 1 0 324.381 1.505 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000420377078 420248248 /nfs/dbraw/zinc/24/82/48/420248248.db2.gz KPRMGLODOSQQII-AAEUAGOBSA-N 1 0 320.393 1.758 20 5 DDBDRO [NH3+][C@@H]1CN(CCn2cc([N+](=O)[O-])cn2)C[C@H]1c1cccc(F)c1 ZINC000420393396 420259654 /nfs/dbraw/zinc/25/96/54/420259654.db2.gz QKCDDCJGPSJRLB-LSDHHAIUSA-N 1 0 319.340 1.357 20 5 DDBDRO CCc1ccccc1[C@H]([NH3+])CNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000423978168 420290114 /nfs/dbraw/zinc/29/01/14/420290114.db2.gz OBVCFSUVBILOMJ-GFCCVEGCSA-N 1 0 302.334 1.915 20 5 DDBDRO COc1ccc(OCCN2CC[NH2+][C@@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000436063063 420305763 /nfs/dbraw/zinc/30/57/63/420305763.db2.gz STYGGAGQMKUMDL-RYUDHWBXSA-N 1 0 309.366 1.664 20 5 DDBDRO [NH3+][C@@H]1CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C[C@H]1c1cccc(F)c1 ZINC000424015356 420307360 /nfs/dbraw/zinc/30/73/60/420307360.db2.gz ZFCIUMWCWOXCGW-WDEREUQCSA-N 1 0 319.296 1.024 20 5 DDBDRO CC1CCN(c2ccc(C(=O)N(C)CC[NH3+])cc2[N+](=O)[O-])CC1 ZINC000424019822 420308550 /nfs/dbraw/zinc/30/85/50/420308550.db2.gz KWIPELONTLLDDE-UHFFFAOYSA-N 1 0 320.393 1.862 20 5 DDBDRO C[C@@H]1CN(CCO)[C@@H](C)CN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000416288733 420309152 /nfs/dbraw/zinc/30/91/52/420309152.db2.gz DOQBJUWSBCELLG-VHSXEESVSA-N 1 0 313.379 1.183 20 5 DDBDRO CN1C(=O)CC[C@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1=O ZINC000424325324 420315583 /nfs/dbraw/zinc/31/55/83/420315583.db2.gz XRWOSOXSBPSKDX-KGLIPLIRSA-N 1 0 317.345 1.709 20 5 DDBDRO NC(=O)c1cccc([N+](=O)[O-])c1N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000420605168 420328516 /nfs/dbraw/zinc/32/85/16/420328516.db2.gz UGWWKHOTOIFLHF-LBPRGKRZSA-N 1 0 318.377 1.616 20 5 DDBDRO C[C@H]1CCN(C(=O)COc2ccccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000423999425 420300544 /nfs/dbraw/zinc/30/05/44/420300544.db2.gz BDWGYPUVENKKQC-RYUDHWBXSA-N 1 0 307.350 1.417 20 5 DDBDRO COc1ccc(OCC[NH2+][C@@H](CO)C(C)(C)C)c([N+](=O)[O-])c1 ZINC000444706144 230123149 /nfs/dbraw/zinc/12/31/49/230123149.db2.gz MHDODNFPHICTMR-AWEZNQCLSA-N 1 0 312.366 1.979 20 5 DDBDRO CC(C)[C@H]([NH3+])CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000440422141 420575571 /nfs/dbraw/zinc/57/55/71/420575571.db2.gz CYAZGJRPSNAMBV-SECBINFHSA-N 1 0 321.786 1.510 20 5 DDBDRO C[C@H]1C[C@H](O)C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000452068432 420620425 /nfs/dbraw/zinc/62/04/25/420620425.db2.gz NYJKOKVLTPWQKH-RYUDHWBXSA-N 1 0 307.350 1.626 20 5 DDBDRO CNc1nc(C(=O)NCC[N@@H+]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000454728460 420916688 /nfs/dbraw/zinc/91/66/88/420916688.db2.gz DOEWHNFFURFHCC-NSHDSACASA-N 1 0 321.381 1.493 20 5 DDBDRO O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])NCC[C@@H]1CC[NH2+]C1 ZINC000493812443 420947663 /nfs/dbraw/zinc/94/76/63/420947663.db2.gz BQBUBAMBGWTNBB-FWEMWIAWSA-N 1 0 307.325 1.863 20 5 DDBDRO CC[NH+](CC)[C@H](C)CNC(=O)c1ccc([N+](=O)[O-])c(NC)n1 ZINC000455633266 421046674 /nfs/dbraw/zinc/04/66/74/421046674.db2.gz CEQJRIZWWXSZTF-SNVBAGLBSA-N 1 0 309.370 1.492 20 5 DDBDRO C[N@@H+]1CC[C@](O)(CNc2c3ccccc3ncc2[N+](=O)[O-])C1 ZINC000487759924 421048407 /nfs/dbraw/zinc/04/84/07/421048407.db2.gz IYHYDCWJWRKVTO-HNNXBMFYSA-N 1 0 302.334 1.043 20 5 DDBDRO Nc1c(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)cc(F)cc1[N+](=O)[O-] ZINC000449662387 421050127 /nfs/dbraw/zinc/05/01/27/421050127.db2.gz LFODTKGAZYLARY-SECBINFHSA-N 1 0 318.255 1.043 20 5 DDBDRO CNC(=O)C[C@@H](C)[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000449604142 421035742 /nfs/dbraw/zinc/03/57/42/421035742.db2.gz SGNXOCUGKDYOLN-GHMZBOCLSA-N 1 0 322.365 1.426 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000449638825 421041719 /nfs/dbraw/zinc/04/17/19/421041719.db2.gz MIKWELODSUOCGW-QWRGUYRKSA-N 1 0 307.350 1.851 20 5 DDBDRO CC[C@@H]([NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)C(=O)NC ZINC000449770621 421080144 /nfs/dbraw/zinc/08/01/44/421080144.db2.gz GAMOIEILECLMBB-ZWNOBZJWSA-N 1 0 322.365 1.426 20 5 DDBDRO CC[C@@H]([NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)NC ZINC000449773607 421080844 /nfs/dbraw/zinc/08/08/44/421080844.db2.gz KKIITDFVVHGOAV-GXFFZTMASA-N 1 0 322.365 1.426 20 5 DDBDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000523285000 421233337 /nfs/dbraw/zinc/23/33/37/421233337.db2.gz PULOYRUZHBJPOQ-GFCCVEGCSA-N 1 0 323.397 1.373 20 5 DDBDRO COc1ccc(CC(=O)NCC2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000562971732 421433042 /nfs/dbraw/zinc/43/30/42/421433042.db2.gz YGGKQJIRLJOJAC-UHFFFAOYSA-N 1 0 307.350 1.262 20 5 DDBDRO C[N@@H+]1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000550131558 421513825 /nfs/dbraw/zinc/51/38/25/421513825.db2.gz CYUWLZHLWFFBOS-UHFFFAOYSA-N 1 0 307.350 1.526 20 5 DDBDRO C[N@@H+]1CC[C@@H](NC(=O)c2c[nH]nc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000548955261 421488744 /nfs/dbraw/zinc/48/87/44/421488744.db2.gz ZACBQHAHPAFBLT-OLZOCXBDSA-N 1 0 315.333 1.493 20 5 DDBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1cc([N+](=O)[O-])cn1C ZINC000515320429 421492248 /nfs/dbraw/zinc/49/22/48/421492248.db2.gz OWPDMEDIBZKLMK-WCQYABFASA-N 1 0 306.366 1.632 20 5 DDBDRO COc1ccc(CNC[C@H](O)C[N@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000571577281 421727528 /nfs/dbraw/zinc/72/75/28/421727528.db2.gz JTEHJVNBWYISEM-ZDUSSCGKSA-N 1 0 309.366 1.148 20 5 DDBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000570929617 421676828 /nfs/dbraw/zinc/67/68/28/421676828.db2.gz KYWQZEKTCUNJMI-ZJUUUORDSA-N 1 0 318.337 1.031 20 5 DDBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000520366853 421747046 /nfs/dbraw/zinc/74/70/46/421747046.db2.gz IUZCQOXOYSTCJD-VXGBXAGGSA-N 1 0 308.382 1.784 20 5 DDBDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000541857754 421809169 /nfs/dbraw/zinc/80/91/69/421809169.db2.gz XFHDOEKXXZVCRS-LLVKDONJSA-N 1 0 306.366 1.637 20 5 DDBDRO CCOC(=O)c1cc(C(=O)N[C@@H](C)C[C@@H](C)[NH3+])cc([N+](=O)[O-])c1 ZINC000573002334 421897147 /nfs/dbraw/zinc/89/71/47/421897147.db2.gz HTRJMSONFVNSJO-ZJUUUORDSA-N 1 0 323.349 1.627 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C2CCC(C(F)F)CC2)c1 ZINC000572834960 421869728 /nfs/dbraw/zinc/86/97/28/421869728.db2.gz JSBUFPKEAMZWLX-CBINBANVSA-N 1 0 318.324 1.566 20 5 DDBDRO CC[N@H+]1C[C@@H](C)N(C(=O)CNc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000581894549 422063971 /nfs/dbraw/zinc/06/39/71/422063971.db2.gz WRTQKEZMAAOIMR-BETUJISGSA-N 1 0 320.393 1.948 20 5 DDBDRO CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000574782370 422179407 /nfs/dbraw/zinc/17/94/07/422179407.db2.gz DVJOWUYVBRGFAB-GFCCVEGCSA-N 1 0 323.397 1.758 20 5 DDBDRO CC(C)[NH2+][C@@H]1CCCN(C(=O)c2ccnc(N)c2[N+](=O)[O-])C1 ZINC000594419938 422347800 /nfs/dbraw/zinc/34/78/00/422347800.db2.gz GFPUXGJLNKKTHR-SNVBAGLBSA-N 1 0 307.354 1.175 20 5 DDBDRO O=[N+]([O-])c1ccc(CN2CC[C@H](CO)[C@@H](O)C2)c(Cl)c1 ZINC000578795620 422650848 /nfs/dbraw/zinc/65/08/48/422650848.db2.gz PHKJNEZFUAFJNO-MFKMUULPSA-N 1 0 300.742 1.423 20 5 DDBDRO CCC[C@@](C)([NH3+])C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000319969533 271025111 /nfs/dbraw/zinc/02/51/11/271025111.db2.gz CEMPHBQTBNGNHF-OAHLLOKOSA-N 1 0 321.381 1.156 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCC[NH+]2CCC(O)CC2)c1 ZINC000321460508 271027932 /nfs/dbraw/zinc/02/79/32/271027932.db2.gz RNGXMBZDWJYXRJ-UHFFFAOYSA-N 1 0 323.349 1.250 20 5 DDBDRO COc1cc(C[NH2+][C@@H]2CCC(=O)N[C@H]2C2CC2)ccc1[N+](=O)[O-] ZINC000342053285 271283245 /nfs/dbraw/zinc/28/32/45/271283245.db2.gz WFYXPUPVKGMKNU-WBMJQRKESA-N 1 0 319.361 1.750 20 5 DDBDRO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])n2C)CC[N@@H+](C2CCC2)C1 ZINC000344779105 272116678 /nfs/dbraw/zinc/11/66/78/272116678.db2.gz UBHLKWZQEUIXSO-GFCCVEGCSA-N 1 0 320.393 1.880 20 5 DDBDRO C[C@H](CO)[N@@H+]1CCCN(c2ccc([N+](=O)[O-])c(N)c2F)CC1 ZINC000345004407 272154038 /nfs/dbraw/zinc/15/40/38/272154038.db2.gz ANZCOJNAMTWKAZ-SNVBAGLBSA-N 1 0 312.345 1.209 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)N[C@H]2CCC[N@H+](C)[C@H]2C)c1[N+](=O)[O-] ZINC000345308424 272215679 /nfs/dbraw/zinc/21/56/79/272215679.db2.gz WZBOILMMRLHXGD-UWVGGRQHSA-N 1 0 309.370 1.654 20 5 DDBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cccc([N+](=O)[O-])c2N)C[C@H]1C ZINC000345962903 272376773 /nfs/dbraw/zinc/37/67/73/272376773.db2.gz PTDVYNBGDNIVOT-GHMZBOCLSA-N 1 0 306.366 1.732 20 5 DDBDRO CCN(CCC[NH+]1CCCC1)c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000425252948 273643408 /nfs/dbraw/zinc/64/34/08/273643408.db2.gz IKARBAQVTDYWTG-UHFFFAOYSA-N 1 0 318.381 1.950 20 5 DDBDRO COCC[NH+]1CCN(c2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413028231 274032139 /nfs/dbraw/zinc/03/21/39/274032139.db2.gz BBYMCGVPRWGEIW-UHFFFAOYSA-N 1 0 316.361 1.911 20 5 DDBDRO [NH3+]C[C@@H](NC(=O)Nc1ccncc1[N+](=O)[O-])C1CCCCC1 ZINC000415381721 274947157 /nfs/dbraw/zinc/94/71/57/274947157.db2.gz IWUFURLCJSQHSX-GFCCVEGCSA-N 1 0 307.354 1.441 20 5 DDBDRO O=[N+]([O-])c1cc2ccccc2nc1N1CCC([NH2+]CCO)CC1 ZINC000276522718 275034498 /nfs/dbraw/zinc/03/44/98/275034498.db2.gz BGMUDCVPSSNQKB-UHFFFAOYSA-N 1 0 316.361 1.694 20 5 DDBDRO CC(C)([NH2+]C[C@H](O)Cn1cccn1)c1ccccc1[N+](=O)[O-] ZINC000292130041 275552449 /nfs/dbraw/zinc/55/24/49/275552449.db2.gz LEEGKAUOVXJCEI-LBPRGKRZSA-N 1 0 304.350 1.677 20 5 DDBDRO CCOc1cccc(N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000273152703 276381226 /nfs/dbraw/zinc/38/12/26/276381226.db2.gz IGQHTGFELDVGAI-QWHCGFSZSA-N 1 0 323.393 1.885 20 5 DDBDRO COC(=O)c1cnc(N2CCC([NH2+]C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000276690166 277167887 /nfs/dbraw/zinc/16/78/87/277167887.db2.gz HCOGEQYOZZERIT-UHFFFAOYSA-N 1 0 320.349 1.497 20 5 DDBDRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000078544664 278260614 /nfs/dbraw/zinc/26/06/14/278260614.db2.gz QOODNHRJRLAWAD-LBPRGKRZSA-N 1 0 321.381 1.352 20 5 DDBDRO C[C@H]1[C@H](C)[N@H+](C)CCN1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000332238814 280112030 /nfs/dbraw/zinc/11/20/30/280112030.db2.gz UEXCPKNCNOOZAN-RYUDHWBXSA-N 1 0 321.377 1.986 20 5 DDBDRO C[NH+](C)C1CCC(NC(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000421685153 289063365 /nfs/dbraw/zinc/06/33/65/289063365.db2.gz OGPZOAFHUXZWSJ-UHFFFAOYSA-N 1 0 321.377 1.963 20 5 DDBDRO COc1cc(C(=O)N2CC[N@H+](C)CC[C@H]2C)ccc1[N+](=O)[O-] ZINC000354008937 298337870 /nfs/dbraw/zinc/33/78/70/298337870.db2.gz UGRWBFGHVPOLFG-LLVKDONJSA-N 1 0 307.350 1.770 20 5 DDBDRO CC(C)[NH2+]C1(CO)CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000573695853 304609121 /nfs/dbraw/zinc/60/91/21/304609121.db2.gz PAVNEZGOERKVTN-UHFFFAOYSA-N 1 0 307.394 1.920 20 5 DDBDRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000362931669 300181582 /nfs/dbraw/zinc/18/15/82/300181582.db2.gz RWJLHNYEROKIGY-ABAIWWIYSA-N 1 0 303.362 1.677 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000363103382 300211165 /nfs/dbraw/zinc/21/11/65/300211165.db2.gz HVEBEGFFEYNWLO-KGLIPLIRSA-N 1 0 319.361 1.496 20 5 DDBDRO O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000363699844 300298287 /nfs/dbraw/zinc/29/82/87/300298287.db2.gz IZHDTXBHLAMCFQ-GFCCVEGCSA-N 1 0 305.334 1.611 20 5 DDBDRO O=C(CNc1ccccc1[N+](=O)[O-])N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000364082713 300342088 /nfs/dbraw/zinc/34/20/88/300342088.db2.gz JVISESNRMSOMRT-QWHCGFSZSA-N 1 0 318.377 1.750 20 5 DDBDRO CO[C@@H]1COC[C@H]1[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000574691159 304675478 /nfs/dbraw/zinc/67/54/78/304675478.db2.gz RFPTUJFJPCYXDQ-LERXQTSPSA-N 1 0 323.349 1.315 20 5 DDBDRO CCOc1cccc(N2CCC[N@@H+]([C@H](C)CO)CC2)c1[N+](=O)[O-] ZINC000368971676 301114042 /nfs/dbraw/zinc/11/40/42/301114042.db2.gz CUANGJADJZOJGD-CYBMUJFWSA-N 1 0 323.393 1.886 20 5 DDBDRO CCOc1cccc(N2CCC[N@@H+]([C@@H](C)CO)CC2)c1[N+](=O)[O-] ZINC000368971678 301114273 /nfs/dbraw/zinc/11/42/73/301114273.db2.gz CUANGJADJZOJGD-ZDUSSCGKSA-N 1 0 323.393 1.886 20 5 DDBDRO COC[C@H]1CCCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000369946823 301245100 /nfs/dbraw/zinc/24/51/00/301245100.db2.gz COEHPQJDQYTXPG-ZDUSSCGKSA-N 1 0 309.366 1.505 20 5 DDBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])cn2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000374312946 301790652 /nfs/dbraw/zinc/79/06/52/301790652.db2.gz SRBAGOSZCAVVAB-UKRRQHHQSA-N 1 0 319.409 1.452 20 5 DDBDRO O=C1NC[C@@H]2C[N@H+](CCOc3cccc([N+](=O)[O-])c3)CC[C@@H]12 ZINC000377673035 302208947 /nfs/dbraw/zinc/20/89/47/302208947.db2.gz RLMNOGOHGSYJAW-BXUZGUMPSA-N 1 0 305.334 1.042 20 5 DDBDRO NC(=O)c1ccc(CN[C@H](C[NH3+])C2CCCCC2)c([N+](=O)[O-])c1 ZINC000420356960 302383959 /nfs/dbraw/zinc/38/39/59/302383959.db2.gz HHWJJRGDCZHBIH-CQSZACIVSA-N 1 0 320.393 1.691 20 5 DDBDRO CCOC(=O)N1CC[C@@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000497225044 302693914 /nfs/dbraw/zinc/69/39/14/302693914.db2.gz FVKLVZPPHZBYSY-TZMCWYRMSA-N 1 0 323.349 1.449 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CC[C@H]1CCOC1 ZINC000515188167 302768175 /nfs/dbraw/zinc/76/81/75/302768175.db2.gz TWBHVUIEZZXMKB-STQMWFEESA-N 1 0 310.350 1.351 20 5 DDBDRO Cc1cc(S(=O)(=O)N2CC[C@@H]([NH3+])C[C@H]2C)ccc1[N+](=O)[O-] ZINC000517956400 302820866 /nfs/dbraw/zinc/82/08/66/302820866.db2.gz OGMRRVIDTRSJOW-GHMZBOCLSA-N 1 0 313.379 1.404 20 5 DDBDRO O=[N+]([O-])c1c(N2CCC[C@]3(CC[NH2+]C3)C2)nc2sccn21 ZINC000518348486 302824751 /nfs/dbraw/zinc/82/47/51/302824751.db2.gz QMTLSYPRSZKOIZ-CYBMUJFWSA-N 1 0 307.379 1.884 20 5 DDBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N1CCC([NH2+]CCO)CC1 ZINC000357437968 306885015 /nfs/dbraw/zinc/88/50/15/306885015.db2.gz HLHIDRLUZVGOFJ-UHFFFAOYSA-N 1 0 307.350 1.348 20 5 DDBDRO C[N@H+](CCNC(=O)c1ccc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000531888911 303264002 /nfs/dbraw/zinc/26/40/02/303264002.db2.gz QHQRBICLPFQLJR-UHFFFAOYSA-N 1 0 306.366 1.984 20 5 DDBDRO COC[C@](C)(O)C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000532221979 303279190 /nfs/dbraw/zinc/27/91/90/303279190.db2.gz KGMSIPXPFPNVAU-GOEBONIOSA-N 1 0 308.378 1.903 20 5 DDBDRO C[N@@H+]1CCC[C@@H]1CCN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000536609389 303365677 /nfs/dbraw/zinc/36/56/77/303365677.db2.gz ACOKVILHAYUQHL-CQSZACIVSA-N 1 0 319.409 1.596 20 5 DDBDRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000237876494 303397328 /nfs/dbraw/zinc/39/73/28/303397328.db2.gz JMDNTGCSAVTJCD-RYUDHWBXSA-N 1 0 307.350 1.607 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CC[C@@H]([NH+]3CCCC3)C2)c2nonc21 ZINC000363684265 307033532 /nfs/dbraw/zinc/03/35/32/307033532.db2.gz XCNKUAIAMNYDAU-SNVBAGLBSA-N 1 0 303.322 1.806 20 5 DDBDRO CN(C(=O)C[NH2+][C@@H]1CCO[C@@H]1C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000365192358 307061386 /nfs/dbraw/zinc/06/13/86/307061386.db2.gz QDGGGWRJKDTQFJ-GDBMZVCRSA-N 1 0 319.361 1.715 20 5 DDBDRO Cc1cc([N+](=O)[O-])cnc1N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000367518652 307096253 /nfs/dbraw/zinc/09/62/53/307096253.db2.gz NNYVOGQRNITPNH-CYBMUJFWSA-N 1 0 319.409 1.879 20 5 DDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]2C[NH2+]CCC[C@@H]21 ZINC000367654445 307100435 /nfs/dbraw/zinc/10/04/35/307100435.db2.gz WOTQXLMBWBEPCB-ABAIWWIYSA-N 1 0 318.377 1.781 20 5 DDBDRO Nc1c(C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc(F)cc1[N+](=O)[O-] ZINC000368613661 307106330 /nfs/dbraw/zinc/10/63/30/307106330.db2.gz NULJHQLIQYWKMX-KPXOXKRLSA-N 1 0 322.340 1.516 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH+]2CC([C@H]3CCOC3)C2)c1 ZINC000373641294 307193714 /nfs/dbraw/zinc/19/37/14/307193714.db2.gz SAPXWOUKISEMND-WFASDCNBSA-N 1 0 322.361 1.303 20 5 DDBDRO C[NH+](C)CCCC(C)(C)NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000395732956 307296326 /nfs/dbraw/zinc/29/63/26/307296326.db2.gz GWGXUCOACTZKHL-UHFFFAOYSA-N 1 0 309.370 1.422 20 5 DDBDRO Cc1ccc(NC(=O)C(=O)N2CC[C@H]([C@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000415571465 307299034 /nfs/dbraw/zinc/29/90/34/307299034.db2.gz MPKMUFQQKLEHIA-QWRGUYRKSA-N 1 0 320.349 1.037 20 5 DDBDRO C[C@H]1NC(=O)N(CC[N@H+](C)CCc2ccccc2[N+](=O)[O-])C1=O ZINC000459464522 307307505 /nfs/dbraw/zinc/30/75/05/307307505.db2.gz NJBXMIHBROHPPU-LLVKDONJSA-N 1 0 320.349 1.009 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H]2CCCC(F)(F)C2)c1 ZINC000514825349 307402752 /nfs/dbraw/zinc/40/27/52/307402752.db2.gz RMTUYRVZXCLSQS-KOLCDFICSA-N 1 0 304.297 1.320 20 5 DDBDRO Cc1nccn1CC[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000535026853 307651977 /nfs/dbraw/zinc/65/19/77/307651977.db2.gz SOXNRBPMLUQGSC-UHFFFAOYSA-N 1 0 316.365 1.317 20 5 DDBDRO Cc1cccc(OC[C@@H](O)C[NH2+]CCn2cc([N+](=O)[O-])cn2)c1 ZINC000565477055 308031915 /nfs/dbraw/zinc/03/19/15/308031915.db2.gz YBKYZBZZDQULSB-AWEZNQCLSA-N 1 0 320.349 1.129 20 5 DDBDRO CC[NH+]1CCC(CNc2nccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000568456309 308118018 /nfs/dbraw/zinc/11/80/18/308118018.db2.gz BCFLZJVXMXJKEX-UHFFFAOYSA-N 1 0 307.354 1.233 20 5 DDBDRO C[C@@H]1C[C@H](C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000573199264 308233140 /nfs/dbraw/zinc/23/31/40/308233140.db2.gz RKQPCKDZEAAXFM-UMVBOHGHSA-N 1 0 324.377 1.739 20 5 DDBDRO Cn1cncc1CCC[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000575427243 308277189 /nfs/dbraw/zinc/27/71/89/308277189.db2.gz NQEYIQIAXCMKAV-UHFFFAOYSA-N 1 0 301.350 1.714 20 5 DDBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000575920782 308282143 /nfs/dbraw/zinc/28/21/43/308282143.db2.gz OTKUAIMYSUWOGH-NEPJUHHUSA-N 1 0 308.382 1.905 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1C[C@H](O)C1(C)C ZINC000577742698 308411193 /nfs/dbraw/zinc/41/11/93/308411193.db2.gz DGFIWRXPWGPZIP-OLZOCXBDSA-N 1 0 307.350 1.591 20 5 DDBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)NCC[C@H]1CCC[NH2+]1 ZINC000583429991 332403489 /nfs/dbraw/zinc/40/34/89/332403489.db2.gz BBEQZGNVDZJXOX-GFCCVEGCSA-N 1 0 322.365 1.415 20 5 DDBDRO C[C@]1(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC[NH2+]C1 ZINC000230736229 484170549 /nfs/dbraw/zinc/17/05/49/484170549.db2.gz ZHLHDLVBGVJRKT-NSHDSACASA-N 1 0 319.770 1.279 20 5 DDBDRO C[C@@H]1[C@@H](CO)CC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000488736786 484217287 /nfs/dbraw/zinc/21/72/87/484217287.db2.gz QYWDMGOFQQFENW-JHJVBQTASA-N 1 0 310.350 1.037 20 5 DDBDRO Cc1cc(C(=O)NC[C@@]2(O)C[NH+]3CCC2CC3)ccc1[N+](=O)[O-] ZINC000556851936 484319624 /nfs/dbraw/zinc/31/96/24/484319624.db2.gz UITMEKNHNSZKAP-MRXNPFEDSA-N 1 0 319.361 1.090 20 5 DDBDRO COC(=O)c1cc(C(=O)N2CC[NH2+][C@@H](C)[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000423591603 533727475 /nfs/dbraw/zinc/72/74/75/533727475.db2.gz CKCROKMJPCTLBD-UWVGGRQHSA-N 1 0 321.333 1.204 20 5 DDBDRO COC(=O)c1cc(C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000422827558 533729395 /nfs/dbraw/zinc/72/93/95/533729395.db2.gz SFRSPYXWWSTVOB-NXEZZACHSA-N 1 0 321.333 1.204 20 5 DDBDRO COC(=O)c1cc(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)cc([N+](=O)[O-])c1 ZINC000423599655 533742760 /nfs/dbraw/zinc/74/27/60/533742760.db2.gz XQBTZLFIVPZYQW-RYUDHWBXSA-N 1 0 321.333 1.381 20 5 DDBDRO C[C@H]([NH2+]CC(=O)NC(=O)NC1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000451099587 533818309 /nfs/dbraw/zinc/81/83/09/533818309.db2.gz MOSLHYDOZZUWRC-VIFPVBQESA-N 1 0 306.322 1.234 20 5 DDBDRO COc1cc(C[NH2+]C[C@H]2CCCC(=O)N2)c([N+](=O)[O-])cc1OC ZINC000433193412 533884611 /nfs/dbraw/zinc/88/46/11/533884611.db2.gz JWESAIPFHSSNFP-LLVKDONJSA-N 1 0 323.349 1.370 20 5 DDBDRO Cc1ccc(CN2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000424374284 533962693 /nfs/dbraw/zinc/96/26/93/533962693.db2.gz ICCZFQLFCFJNJH-LSDHHAIUSA-N 1 0 315.377 1.563 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H](C)C[NH+](C)C ZINC000292829727 534346321 /nfs/dbraw/zinc/34/63/21/534346321.db2.gz ZFTMORDITPQMQC-JTQLQIEISA-N 1 0 315.395 1.379 20 5 DDBDRO O=C(CC[N@H+](C1CC1)C1COC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000295583356 534392470 /nfs/dbraw/zinc/39/24/70/534392470.db2.gz ZSQRREMHVLTWLE-UHFFFAOYSA-N 1 0 323.324 1.926 20 5 DDBDRO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])n2C)CC[N@@H+](C2CC2)C1 ZINC000452171276 534424308 /nfs/dbraw/zinc/42/43/08/534424308.db2.gz POLDLVLVTKBHCP-NSHDSACASA-N 1 0 306.366 1.490 20 5 DDBDRO CC(C)[C@@H](CO)[NH2+]CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000156261788 519795716 /nfs/dbraw/zinc/79/57/16/519795716.db2.gz VOXRNSPYVJDFAX-GFCCVEGCSA-N 1 0 323.349 1.499 20 5 DDBDRO C[C@@H](O)C[N@H+](C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000156348733 525782528 /nfs/dbraw/zinc/78/25/28/525782528.db2.gz LFEMGIGGICXMBI-SNVBAGLBSA-N 1 0 309.322 1.205 20 5 DDBDRO O=[N+]([O-])c1cnc(NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)nc1 ZINC000302214019 534888892 /nfs/dbraw/zinc/88/88/92/534888892.db2.gz IDNXKWSMNMKUBX-KGLIPLIRSA-N 1 0 321.381 1.565 20 5 DDBDRO CC(C)(C)C[C@H]1CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000452080372 526272044 /nfs/dbraw/zinc/27/20/44/526272044.db2.gz ORWXECISVDMYTJ-TZMCWYRMSA-N 1 0 310.398 1.910 20 5 DDBDRO CCN1C[C@H]([NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1=O ZINC000453366476 527991827 /nfs/dbraw/zinc/99/18/27/527991827.db2.gz RCLBQMWVIMKUSQ-JHJVBQTASA-N 1 0 321.381 1.485 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)NCC[C@H]2CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000458182392 528000037 /nfs/dbraw/zinc/00/00/37/528000037.db2.gz DWBJNCARIAEUDQ-LLVKDONJSA-N 1 0 323.397 1.903 20 5 DDBDRO CC[N@H+](CCNC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-])C(C)C ZINC000433746805 528506231 /nfs/dbraw/zinc/50/62/31/528506231.db2.gz IXSQAUUVPNAHJL-UHFFFAOYSA-N 1 0 311.386 1.901 20 5 DDBDRO CCCc1n[nH]c(C(=O)N[C@H](CC[NH3+])C(F)(F)F)c1[N+](=O)[O-] ZINC000449714408 528549179 /nfs/dbraw/zinc/54/91/79/528549179.db2.gz BXMMYFQTGKTVNV-SSDOTTSWSA-N 1 0 323.275 1.280 20 5 DDBDRO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000424041669 529130219 /nfs/dbraw/zinc/13/02/19/529130219.db2.gz OIDMUKAAZPTHQG-CQSZACIVSA-N 1 0 321.381 1.028 20 5 DDBDRO C[NH+](C)C[C@H]1CCN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC000736757936 598828687 /nfs/dbraw/zinc/82/86/87/598828687.db2.gz AFIRKDJWFGLINT-SNVBAGLBSA-N 1 0 317.353 1.163 20 5 DDBDRO CC(C)NC(=O)CC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000046502324 696188035 /nfs/dbraw/zinc/18/80/35/696188035.db2.gz GKVZJSNJGGACSA-UHFFFAOYSA-N 1 0 320.393 1.632 20 5 DDBDRO O=c1c(Br)cn(CCC[NH2+]C2CC2)cc1[N+](=O)[O-] ZINC000125163612 696750547 /nfs/dbraw/zinc/75/05/47/696750547.db2.gz WIBGTQJVRDDOKS-UHFFFAOYSA-N 1 0 316.155 1.661 20 5 DDBDRO COC(=O)[C@]1(C)CC[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000177215371 697411119 /nfs/dbraw/zinc/41/11/19/697411119.db2.gz HVKRNRHHHKUJDP-OAHLLOKOSA-N 1 0 318.333 1.787 20 5 DDBDRO C[NH+](C)CCN(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C1CC1 ZINC000773114610 697715677 /nfs/dbraw/zinc/71/56/77/697715677.db2.gz YHZOJWTZPNNWAU-UHFFFAOYSA-N 1 0 322.321 1.669 20 5 DDBDRO COC[C@@H]1CC[N@H+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C1 ZINC000749954323 700194389 /nfs/dbraw/zinc/19/43/89/700194389.db2.gz MXFDCSDLZMVUJT-LLVKDONJSA-N 1 0 305.338 1.574 20 5 DDBDRO CC1(C)CN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1CCO ZINC000781961618 698666227 /nfs/dbraw/zinc/66/62/27/698666227.db2.gz CREDUZISZOYTGM-HNNXBMFYSA-N 1 0 323.393 1.017 20 5 DDBDRO Cn1cc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)nn1 ZINC000783531152 698847978 /nfs/dbraw/zinc/84/79/78/698847978.db2.gz HDBLAKDJACENNN-UHFFFAOYSA-N 1 0 316.365 1.482 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@H](C2OCCO2)C1 ZINC000719001649 699297415 /nfs/dbraw/zinc/29/74/15/699297415.db2.gz PUZXGDLAJXMSIG-LBPRGKRZSA-N 1 0 310.354 1.185 20 5 DDBDRO Nc1nc(NC2CC[NH+](C[C@@H]3CCCO3)CC2)ncc1[N+](=O)[O-] ZINC000725787496 699333995 /nfs/dbraw/zinc/33/39/95/699333995.db2.gz JUHCCNGRHFPCEX-NSHDSACASA-N 1 0 322.369 1.022 20 5 DDBDRO O=C1C[C@@]2(CC[N@@H+](Cc3ccc([N+](=O)[O-])c(Cl)c3)C2)CN1 ZINC000789767330 699407388 /nfs/dbraw/zinc/40/73/88/699407388.db2.gz IHYQQYABKMQJGI-AWEZNQCLSA-N 1 0 309.753 1.960 20 5 DDBDRO C[C@@H](CN1CC[NH+](C)CC1)Nc1nc2ccccn2c1[N+](=O)[O-] ZINC000730109471 699501956 /nfs/dbraw/zinc/50/19/56/699501956.db2.gz RVVKMGZAXFXPDF-LBPRGKRZSA-N 1 0 318.381 1.290 20 5 DDBDRO NC(=O)c1cccc(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000731678056 699533026 /nfs/dbraw/zinc/53/30/26/699533026.db2.gz FYLIMYYXRRZAOF-OAHLLOKOSA-N 1 0 315.329 1.517 20 5 DDBDRO C[N@H+](CCNc1ccc([N+](=O)[O-])cc1C(=O)NC1CC1)C1CC1 ZINC000732567147 699562906 /nfs/dbraw/zinc/56/29/06/699562906.db2.gz ATGUZDLCPOBJIJ-UHFFFAOYSA-N 1 0 318.377 1.993 20 5 DDBDRO COc1cc(C(=O)N[C@H](C[NH+](C)C)C(C)C)ccc1[N+](=O)[O-] ZINC000733164902 699581638 /nfs/dbraw/zinc/58/16/38/699581638.db2.gz FDUWCBWPXNDJJY-GFCCVEGCSA-N 1 0 309.366 1.919 20 5 DDBDRO CC(C)[C@H](C[NH+](C)C)NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000733165101 699581732 /nfs/dbraw/zinc/58/17/32/699581732.db2.gz HDCTUTGYAQWOBT-AWEZNQCLSA-N 1 0 309.366 1.676 20 5 DDBDRO COC[C@@H]1CC[N@H+](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000739876149 699781862 /nfs/dbraw/zinc/78/18/62/699781862.db2.gz XUKNFWZVRMORQS-GFCCVEGCSA-N 1 0 317.349 1.779 20 5 DDBDRO NC(=O)c1ccc(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000794917264 699835306 /nfs/dbraw/zinc/83/53/06/699835306.db2.gz XPVNYLHTXMLEIL-HNNXBMFYSA-N 1 0 315.329 1.517 20 5 DDBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H](CO)[C@@H]2CCOC2)cc1Cl ZINC000796009240 699906594 /nfs/dbraw/zinc/90/65/94/699906594.db2.gz RTHFVWJGVQFCME-NEPJUHHUSA-N 1 0 314.769 1.983 20 5 DDBDRO COc1ccc(CC(=O)NCC[N@@H+]2CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000744349548 699946311 /nfs/dbraw/zinc/94/63/11/699946311.db2.gz KSXNXPVMLBDNDE-LBPRGKRZSA-N 1 0 321.377 1.746 20 5 DDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[N@H+](C)[C@@H](C)C1 ZINC000761077379 700840893 /nfs/dbraw/zinc/84/08/93/700840893.db2.gz RTSBDVIZGKKQQU-NWDGAFQWSA-N 1 0 306.366 1.558 20 5 DDBDRO COc1ccc(NC(=O)C[NH2+][C@@H](CCO)C2CC2)c([N+](=O)[O-])c1 ZINC000763065827 700923502 /nfs/dbraw/zinc/92/35/02/700923502.db2.gz MWURRNNXLDZQOT-LBPRGKRZSA-N 1 0 323.349 1.293 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H](CCO)C2CCOCC2)c1 ZINC000763903469 700952560 /nfs/dbraw/zinc/95/25/60/700952560.db2.gz SCZYJXLMYWLZHH-HZPDHXFCSA-N 1 0 324.377 1.395 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)O[C@H]2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC000810841890 701859909 /nfs/dbraw/zinc/85/99/09/701859909.db2.gz RCVGLIZQNKHORD-QWRGUYRKSA-N 1 0 308.338 1.595 20 5 DDBDRO C[C@](CO)([NH2+]C[C@H]1COC(C)(C)O1)c1cccc([N+](=O)[O-])c1 ZINC000879273319 706636552 /nfs/dbraw/zinc/63/65/52/706636552.db2.gz TZGMXRNUMWFPML-DZGCQCFKSA-N 1 0 310.350 1.543 20 5 DDBDRO COCC(COC)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000840356517 702082078 /nfs/dbraw/zinc/08/20/78/702082078.db2.gz AOBZZGXUVOCPNV-UHFFFAOYSA-N 1 0 309.366 1.378 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3F)C[C@@H]2C1 ZINC000812341437 702165124 /nfs/dbraw/zinc/16/51/24/702165124.db2.gz GHQRELWQLBAHEP-MNOVXSKESA-N 1 0 307.325 1.758 20 5 DDBDRO COCCN(C)CC[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866255615 706658935 /nfs/dbraw/zinc/65/89/35/706658935.db2.gz ZEKNAEMQSDYDBF-GFCCVEGCSA-N 1 0 313.373 1.833 20 5 DDBDRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)Cc2cccc(F)c2[N+](=O)[O-])C1 ZINC000869189695 702503842 /nfs/dbraw/zinc/50/38/42/702503842.db2.gz TZYWVABXINCZEY-KLPPZKSPSA-N 1 0 309.341 1.733 20 5 DDBDRO Cc1c(C(=O)N2CC[C@H]([NH3+])[C@@H]2C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000817993050 702546142 /nfs/dbraw/zinc/54/61/42/702546142.db2.gz XFEYTPCCFGSYBA-ONGXEEELSA-N 1 0 322.321 1.682 20 5 DDBDRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1c1nc2ccccn2c1[N+](=O)[O-] ZINC000842047198 702663575 /nfs/dbraw/zinc/66/35/75/702663575.db2.gz MISZGXMZKAQFID-NWDGAFQWSA-N 1 0 319.365 1.134 20 5 DDBDRO Cc1cc(S(=O)(=O)NC[C@@H]([NH3+])C(C)C)cc([N+](=O)[O-])c1F ZINC000842724487 702763112 /nfs/dbraw/zinc/76/31/12/702763112.db2.gz XNIVNRCEOUAONK-SNVBAGLBSA-N 1 0 319.358 1.304 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2c3ccccc3C[C@@H]2O)c1 ZINC000843071378 702813321 /nfs/dbraw/zinc/81/33/21/702813321.db2.gz ZRZVUVYTTVLQAP-GVDBMIGSSA-N 1 0 314.341 1.876 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CCc2ccc(CO)cc2)cc1 ZINC000843076530 702814365 /nfs/dbraw/zinc/81/43/65/702814365.db2.gz KEAQCGULNKLRLD-KRWDZBQOSA-N 1 0 316.357 1.953 20 5 DDBDRO Nc1ccc(-c2noc(C[C@H]3CSCC[NH2+]3)n2)cc1[N+](=O)[O-] ZINC000843169833 702832636 /nfs/dbraw/zinc/83/26/36/702832636.db2.gz SHFXAOBPWZNNMR-VIFPVBQESA-N 1 0 321.362 1.475 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)NCC[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000843338414 702862109 /nfs/dbraw/zinc/86/21/09/702862109.db2.gz UDWUMGSLLKFUSW-SNVBAGLBSA-N 1 0 322.321 1.541 20 5 DDBDRO [NH3+]C[C@@H]1CCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000843346706 702863663 /nfs/dbraw/zinc/86/36/63/702863663.db2.gz PSIWDZDDNNPXTJ-VIFPVBQESA-N 1 0 312.757 1.467 20 5 DDBDRO C[NH2+]CCN(C)C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000843452951 702885292 /nfs/dbraw/zinc/88/52/92/702885292.db2.gz XDVWWTVCIBXREH-UHFFFAOYSA-N 1 0 303.721 1.608 20 5 DDBDRO C[C@@H](NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])[C@H](C)[NH3+] ZINC000843487305 702891141 /nfs/dbraw/zinc/89/11/41/702891141.db2.gz OHDDOFWFMRFZHT-NKWVEPMBSA-N 1 0 303.721 1.782 20 5 DDBDRO [NH3+]CCCCCCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000843505999 702896733 /nfs/dbraw/zinc/89/67/33/702896733.db2.gz POEDUUGVYOELKY-UHFFFAOYSA-N 1 0 310.310 1.752 20 5 DDBDRO C[C@@H]1CCC[N@@H+]1CCNC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000846636978 703305982 /nfs/dbraw/zinc/30/59/82/703305982.db2.gz AFPLGTKOLADWOO-LLVKDONJSA-N 1 0 309.341 1.877 20 5 DDBDRO CNc1nccc(C(=O)NC[C@@H](C)[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000847367447 703408295 /nfs/dbraw/zinc/40/82/95/703408295.db2.gz LYJNJDWTWJJXDL-LLVKDONJSA-N 1 0 321.381 1.636 20 5 DDBDRO Cc1nc([N+](=O)[O-])c(-c2noc([C@@H]3C[C@@]34CCC[NH2+]C4)n2)n1C ZINC000848626342 703569706 /nfs/dbraw/zinc/56/97/06/703569706.db2.gz BBTUDICNQOAQGX-LKFCYVNXSA-N 1 0 318.337 1.544 20 5 DDBDRO C[NH+](C)[C@H]1C[C@@H](CNc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 ZINC000848753361 703584330 /nfs/dbraw/zinc/58/43/30/703584330.db2.gz GWDNTXNVKDKIFS-AOOOYVTPSA-N 1 0 320.349 1.678 20 5 DDBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000869801141 703854937 /nfs/dbraw/zinc/85/49/37/703854937.db2.gz FGDYLNBIFMJXDH-LCGIIJARSA-N 1 0 317.389 1.536 20 5 DDBDRO CC1(NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CC[NH2+]CC1 ZINC000818583692 703931462 /nfs/dbraw/zinc/93/14/62/703931462.db2.gz NJHHQQOVOOANFT-UHFFFAOYSA-N 1 0 317.349 1.203 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CC[C@H](Cn3ccnn3)C2)cc1 ZINC000852313496 704007456 /nfs/dbraw/zinc/00/74/56/704007456.db2.gz IHIBQZHFUCGHFS-WFASDCNBSA-N 1 0 317.349 1.242 20 5 DDBDRO CN(C)c1ncc(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)n1C ZINC000819062272 704063412 /nfs/dbraw/zinc/06/34/12/704063412.db2.gz CTVYMNXZLYVRKR-CQSZACIVSA-N 1 0 319.365 1.218 20 5 DDBDRO CC(C)(C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000819133128 704074397 /nfs/dbraw/zinc/07/43/97/704074397.db2.gz JIJAONKVGHXEOX-LBPRGKRZSA-N 1 0 316.379 1.041 20 5 DDBDRO C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819154174 704077648 /nfs/dbraw/zinc/07/76/48/704077648.db2.gz ORLMRMPOLGCRNY-HFBAOOFYSA-N 1 0 305.378 1.701 20 5 DDBDRO CN(C)c1nccc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC000819209838 704086967 /nfs/dbraw/zinc/08/69/67/704086967.db2.gz MSDJHTHZKXRPAE-AWEZNQCLSA-N 1 0 317.349 1.274 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]Cc2cccnc2F)c1 ZINC000819276283 704099511 /nfs/dbraw/zinc/09/95/11/704099511.db2.gz HGVCBFSAQLRSCD-CYBMUJFWSA-N 1 0 321.308 1.658 20 5 DDBDRO Cn1c(C(=O)NC2CCC(C)([NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000871356104 704273913 /nfs/dbraw/zinc/27/39/13/704273913.db2.gz DFQVPCRRSZZBRJ-UHFFFAOYSA-N 1 0 308.382 1.926 20 5 DDBDRO CCN(C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@H+](CC)C1 ZINC000855485762 704487280 /nfs/dbraw/zinc/48/72/80/704487280.db2.gz HDAFOBVEPBZZAU-CABCVRRESA-N 1 0 321.377 1.571 20 5 DDBDRO CCC[NH2+]CCNC(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857764112 704621590 /nfs/dbraw/zinc/62/15/90/704621590.db2.gz IEGJDFMOWIVMCT-UHFFFAOYSA-N 1 0 317.292 1.682 20 5 DDBDRO CON(C)C(=O)[C@@H](C)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000858587150 704731111 /nfs/dbraw/zinc/73/11/11/704731111.db2.gz IXYBCYBQQSBNKT-QMTHXVAHSA-N 1 0 307.350 1.970 20 5 DDBDRO CO[C@]1(C(F)(F)F)CC[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000880309049 706936621 /nfs/dbraw/zinc/93/66/21/706936621.db2.gz LRBCLHQURMLASF-LLVKDONJSA-N 1 0 322.287 1.753 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N(C)C[C@@H](C)[NH3+] ZINC000858642752 704738909 /nfs/dbraw/zinc/73/89/09/704738909.db2.gz PJYURDXRHGHRHO-SNVBAGLBSA-N 1 0 301.368 1.179 20 5 DDBDRO CNc1nccc(C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3C)c1[N+](=O)[O-] ZINC000874830012 705187858 /nfs/dbraw/zinc/18/78/58/705187858.db2.gz PRIKSHOALVPETQ-RYUDHWBXSA-N 1 0 319.365 1.340 20 5 DDBDRO COC[C@@]1(c2nc(-c3cc(C)cc([N+](=O)[O-])c3)no2)CC[NH2+]C1 ZINC000823269429 705189513 /nfs/dbraw/zinc/18/95/13/705189513.db2.gz GVJULCQYDBAGHO-OAHLLOKOSA-N 1 0 318.333 1.831 20 5 DDBDRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000874834926 705192357 /nfs/dbraw/zinc/19/23/57/705192357.db2.gz VSDQGCGDVDSDSB-VXGBXAGGSA-N 1 0 304.350 1.486 20 5 DDBDRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000874837366 705194104 /nfs/dbraw/zinc/19/41/04/705194104.db2.gz IGUMGLORBWHUKB-QWHCGFSZSA-N 1 0 321.381 1.222 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000874845030 705199636 /nfs/dbraw/zinc/19/96/36/705199636.db2.gz FFHMFTMKXKPHGU-ZIAGYGMSSA-N 1 0 319.361 1.912 20 5 DDBDRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000874846914 705201234 /nfs/dbraw/zinc/20/12/34/705201234.db2.gz LNBKUOHJJLRLNO-CABCVRRESA-N 1 0 319.361 1.669 20 5 DDBDRO C[N@@H+]1C[C@@H]2CCN(C(=O)NCCc3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000893877405 710871104 /nfs/dbraw/zinc/87/11/04/710871104.db2.gz WRCHCWUTQHRLMY-DZGCQCFKSA-N 1 0 318.377 1.483 20 5 DDBDRO C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000876875121 705902209 /nfs/dbraw/zinc/90/22/09/705902209.db2.gz PSUACLSHIAWLFD-YZKQYGISSA-N 1 0 305.334 1.954 20 5 DDBDRO C[N@@H+]1CC[C@H]2CN(C(=O)CNc3ccccc3[N+](=O)[O-])CC[C@H]21 ZINC000827338665 705979761 /nfs/dbraw/zinc/97/97/61/705979761.db2.gz PZSGNMIGLFJPAO-GXTWGEPZSA-N 1 0 318.377 1.559 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877279050 706046264 /nfs/dbraw/zinc/04/62/64/706046264.db2.gz BIGCYIQGGJTJSK-OCCSQVGLSA-N 1 0 323.324 1.466 20 5 DDBDRO COc1cc(C(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)ccc1[N+](=O)[O-] ZINC000877282330 706047265 /nfs/dbraw/zinc/04/72/65/706047265.db2.gz DBPFLVDSSMXUIJ-VXGBXAGGSA-N 1 0 305.334 1.570 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000877377933 706086470 /nfs/dbraw/zinc/08/64/70/706086470.db2.gz GBFJXEMGGUEYKB-ZUZCIYMTSA-N 1 0 305.334 1.285 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)c1 ZINC000877378926 706087101 /nfs/dbraw/zinc/08/71/01/706087101.db2.gz GDBQXPFZUNZWNL-ZUZCIYMTSA-N 1 0 305.334 1.285 20 5 DDBDRO Cc1c(CC(=O)N[C@@]23CCC[C@@H]2[NH2+]CC3)cccc1[N+](=O)[O-] ZINC000877389487 706091681 /nfs/dbraw/zinc/09/16/81/706091681.db2.gz MNYGZMSOLLDZLM-GOEBONIOSA-N 1 0 303.362 1.847 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000877401192 706096765 /nfs/dbraw/zinc/09/67/65/706096765.db2.gz ZBKABUDRIPWNFY-DZGCQCFKSA-N 1 0 305.334 1.374 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1CN1CC[N@H+](CCO)[C@H](C)C1 ZINC000877438393 706107397 /nfs/dbraw/zinc/10/73/97/706107397.db2.gz NLMVRBPRUGEUHM-CYBMUJFWSA-N 1 0 307.394 1.710 20 5 DDBDRO CONC(=O)C1CC[NH+](Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000877788911 706213778 /nfs/dbraw/zinc/21/37/78/706213778.db2.gz YDPGGAPOAOECSJ-UHFFFAOYSA-N 1 0 307.350 1.793 20 5 DDBDRO C[C@H]1C[C@H]([NH3+])CN1C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000864616156 706214100 /nfs/dbraw/zinc/21/41/00/706214100.db2.gz LQTFEGCTXPKXNF-IUCAKERBSA-N 1 0 315.276 1.515 20 5 DDBDRO Cn1nnnc1CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000878201961 706326349 /nfs/dbraw/zinc/32/63/49/706326349.db2.gz KOKRADHJEBSBRR-UHFFFAOYSA-N 1 0 302.338 1.325 20 5 DDBDRO O=[N+]([O-])c1cc(F)ccc1CN1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC000880072854 706870983 /nfs/dbraw/zinc/87/09/83/706870983.db2.gz MZCVEZREOHIWAM-UONOGXRCSA-N 1 0 309.341 1.375 20 5 DDBDRO C[NH2+]C[C@H]1CCCN1C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000832824823 706992910 /nfs/dbraw/zinc/99/29/10/706992910.db2.gz UMACMHQGAHEGKF-CYBMUJFWSA-N 1 0 317.349 1.155 20 5 DDBDRO CC1([NH+]2CCC2)CCC(NC(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000834795390 707120807 /nfs/dbraw/zinc/12/08/07/707120807.db2.gz IJYJNUDMJKSYRE-UHFFFAOYSA-N 1 0 321.381 1.315 20 5 DDBDRO COC[C@@H](C)OC[C@@H](O)C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000872249515 707348558 /nfs/dbraw/zinc/34/85/58/707348558.db2.gz WKHUCHBOKGRWHE-UPJWGTAASA-N 1 0 312.366 1.658 20 5 DDBDRO C[N@@H+]1CC[C@H]2CN(Cn3ncc4cc([N+](=O)[O-])ccc43)CC[C@H]21 ZINC000872725089 707573330 /nfs/dbraw/zinc/57/33/30/707573330.db2.gz ORLJVDWTQBFOKT-SWLSCSKDSA-N 1 0 315.377 1.928 20 5 DDBDRO C[NH+](C)CC(C)(C)NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000837239645 707602687 /nfs/dbraw/zinc/60/26/87/707602687.db2.gz VRGWWLLJUONTFV-UHFFFAOYSA-N 1 0 313.329 1.569 20 5 DDBDRO CC[N@@H+]1CC[C@H]1CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000882489196 707660367 /nfs/dbraw/zinc/66/03/67/707660367.db2.gz NXXXPUCWELWXRP-JTQLQIEISA-N 1 0 302.334 1.900 20 5 DDBDRO Cc1nn(C)c(N2CCN(c3cc[nH+]cc3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000882822211 707809261 /nfs/dbraw/zinc/80/92/61/707809261.db2.gz YOQFQGWGYWYSQM-LLVKDONJSA-N 1 0 316.365 1.747 20 5 DDBDRO C[N@@H+]1CCC[C@H](CCNC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000838149910 707854821 /nfs/dbraw/zinc/85/48/21/707854821.db2.gz QVFGMSBKQPIDNR-DOMZBBRYSA-N 1 0 321.377 1.476 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CCC23CC[NH+](C)CC3)n1 ZINC000897133910 708236770 /nfs/dbraw/zinc/23/67/70/708236770.db2.gz ROTDHAARYCDBMX-UHFFFAOYSA-N 1 0 320.349 1.451 20 5 DDBDRO COc1cc(C)cc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)c1OC ZINC000886026038 708683416 /nfs/dbraw/zinc/68/34/16/708683416.db2.gz ONDJRXVMFMBDND-UHFFFAOYSA-N 1 0 320.349 1.907 20 5 DDBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](C[C@H]3C[C@@]34CCOC4)C2)nc1 ZINC000886067100 708691529 /nfs/dbraw/zinc/69/15/29/708691529.db2.gz HFLYJRLAWYNQBR-XJKCOSOUSA-N 1 0 318.377 1.903 20 5 DDBDRO C[C@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000912649893 713060533 /nfs/dbraw/zinc/06/05/33/713060533.db2.gz FKZMUGKROZACKO-WDEREUQCSA-N 1 0 309.370 1.653 20 5 DDBDRO C[N@@H+]1C[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3N)C[C@]2(C)C1 ZINC000887927995 709167761 /nfs/dbraw/zinc/16/77/61/709167761.db2.gz RDLIHKIITMYVRV-BMIGLBTASA-N 1 0 304.350 1.201 20 5 DDBDRO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@H+](C)CCO ZINC000899741444 709185763 /nfs/dbraw/zinc/18/57/63/709185763.db2.gz XXCGPYKPASDRRP-QXMHVHEDSA-N 1 0 307.350 1.038 20 5 DDBDRO O=[N+]([O-])CC[NH2+]C[C@@H](c1ccccc1Cl)N1CCOCC1 ZINC000899869411 709222409 /nfs/dbraw/zinc/22/24/09/709222409.db2.gz FMOORTKOSHXACW-AWEZNQCLSA-N 1 0 313.785 1.580 20 5 DDBDRO CC[NH+]1CCN([C@@H](C)CNc2ncc([N+](=O)[O-])cc2OC)CC1 ZINC000891830172 710304779 /nfs/dbraw/zinc/30/47/79/710304779.db2.gz VJGYITLROWBSTJ-LBPRGKRZSA-N 1 0 323.397 1.436 20 5 DDBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC)[C@H]1OC ZINC000892939189 710528990 /nfs/dbraw/zinc/52/89/90/710528990.db2.gz NCYAKQAAMFIJBV-BPLDGKMQSA-N 1 0 310.350 1.885 20 5 DDBDRO C[NH+]1C[C@@]2(C)CN(C(=O)c3cc([N+](=O)[O-])ccc3N)C[C@]2(C)C1 ZINC000913282131 713190735 /nfs/dbraw/zinc/19/07/35/713190735.db2.gz YOARWAVSWCEJSW-HOTGVXAUSA-N 1 0 318.377 1.591 20 5 DDBDRO C[C@H]1[C@H](NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC[N@@H+]1C ZINC000928434471 713194183 /nfs/dbraw/zinc/19/41/83/713194183.db2.gz DZEZKJQHPJYNKJ-WCBMZHEXSA-N 1 0 307.306 1.146 20 5 DDBDRO C[C@@H]1[C@@H](NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC[N@@H+]1C ZINC000928441884 713197482 /nfs/dbraw/zinc/19/74/82/713197482.db2.gz PTMZBRMUWIOEHC-YGRLFVJLSA-N 1 0 316.361 1.827 20 5 DDBDRO C[C@H]1[C@@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000928444673 713198773 /nfs/dbraw/zinc/19/87/73/713198773.db2.gz LQNYSNGWTNEZQQ-RYUDHWBXSA-N 1 0 307.350 1.573 20 5 DDBDRO C[NH+](C)C1(C)CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000913394619 713208034 /nfs/dbraw/zinc/20/80/34/713208034.db2.gz ZTDIREQBBAFWJW-UHFFFAOYSA-N 1 0 306.366 1.733 20 5 DDBDRO C[NH+](C)C1(C)CCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC1 ZINC000913397732 713208053 /nfs/dbraw/zinc/20/80/53/713208053.db2.gz FBFLNPWSMZECKW-UHFFFAOYSA-N 1 0 323.397 1.469 20 5 DDBDRO C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000911778721 710981689 /nfs/dbraw/zinc/98/16/89/710981689.db2.gz UCVWOSHRQJXIOS-NILFDRSVSA-N 1 0 303.362 1.766 20 5 DDBDRO C[NH2+]C1CCN(C(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC000911788003 710988263 /nfs/dbraw/zinc/98/82/63/710988263.db2.gz YSZJWUDAMFELRN-CABCVRRESA-N 1 0 303.362 1.909 20 5 DDBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCN(C)[C@H]1C ZINC000903302543 711094627 /nfs/dbraw/zinc/09/46/27/711094627.db2.gz CSCKRBILQNFLFH-XUJVJEKNSA-N 1 0 320.393 1.994 20 5 DDBDRO CCc1nnc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)s1 ZINC000894454033 711128287 /nfs/dbraw/zinc/12/82/87/711128287.db2.gz KUGNDNLHLPGLBO-UHFFFAOYSA-N 1 0 307.379 1.974 20 5 DDBDRO COc1c(O)ccc(CN(C)CC[N@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000894477076 711141000 /nfs/dbraw/zinc/14/10/00/711141000.db2.gz MBABLXOTLDGCID-UHFFFAOYSA-N 1 0 309.366 1.835 20 5 DDBDRO O=C(Cc1cccc(F)c1[N+](=O)[O-])N1CC([NH+]2CCCC2)C1 ZINC000912322305 711278089 /nfs/dbraw/zinc/27/80/89/711278089.db2.gz PGWGDKZHJWWBQG-UHFFFAOYSA-N 1 0 307.325 1.583 20 5 DDBDRO C[C@]1(NC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C[NH+]2CCC1CC2 ZINC000912374600 711298801 /nfs/dbraw/zinc/29/88/01/711298801.db2.gz NYHCKZRYFIPOGF-ZBFHGGJFSA-N 1 0 319.361 1.229 20 5 DDBDRO O=[N+]([O-])c1cc(CN[C@H]2C[NH2+]CC3(CCOCC3)C2)cs1 ZINC000903973183 711353530 /nfs/dbraw/zinc/35/35/30/711353530.db2.gz AOGMUFWNJVWPOV-GFCCVEGCSA-N 1 0 311.407 1.905 20 5 DDBDRO C[N@@H+]1CC[C@H](Cc2nc(Cc3ccc([N+](=O)[O-])cn3)no2)C1 ZINC000904022655 711365162 /nfs/dbraw/zinc/36/51/62/711365162.db2.gz GRFYHYBHVJVFIP-SNVBAGLBSA-N 1 0 303.322 1.458 20 5 DDBDRO C[N@H+](CCO)CCNc1c2cc(Cl)ccc2ncc1[N+](=O)[O-] ZINC000895240860 711462047 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0 322.361 1.900 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CC[C@@H]2CCC(F)(F)C2)c1 ZINC000905675777 712114553 /nfs/dbraw/zinc/11/45/53/712114553.db2.gz RAKRVODCYXSYBC-CMPLNLGQSA-N 1 0 318.324 1.567 20 5 DDBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000906634116 712374837 /nfs/dbraw/zinc/37/48/37/712374837.db2.gz NVHGNRPXGPOVGH-QWRGUYRKSA-N 1 0 321.402 1.998 20 5 DDBDRO COc1cc(C[NH2+][C@@H]2COC[C@@H]2C2CC2)c([N+](=O)[O-])cc1O ZINC000914432767 713394952 /nfs/dbraw/zinc/39/49/52/713394952.db2.gz DMKXZBDEWKXPKC-VXGBXAGGSA-N 1 0 308.334 1.824 20 5 DDBDRO CC[NH+](CC)CCOC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000915280459 713415465 /nfs/dbraw/zinc/41/54/65/713415465.db2.gz SPIQETMSSWDXQJ-UHFFFAOYSA-N 1 0 320.349 1.830 20 5 DDBDRO C[N@@H+]1CC[C@H]1CNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000921420070 713765002 /nfs/dbraw/zinc/76/50/02/713765002.db2.gz SOGXMXMXETZVPT-NSHDSACASA-N 1 0 312.757 1.752 20 5 DDBDRO C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000930361979 713813825 /nfs/dbraw/zinc/81/38/25/713813825.db2.gz AWGXOEAAVUAMEK-KCPJHIHWSA-N 1 0 303.362 1.766 20 5 DDBDRO C[NH+]1CCC(OCC(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000930922557 713960583 /nfs/dbraw/zinc/96/05/83/713960583.db2.gz ZALPSRKZAXPLSN-UHFFFAOYSA-N 1 0 307.350 1.322 20 5 DDBDRO C[C@H]1[C@H]([NH+](C)C)CCN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000931045451 713989680 /nfs/dbraw/zinc/98/96/80/713989680.db2.gz QEKQCIWXRVVCOX-SWLSCSKDSA-N 1 0 320.393 1.582 20 5 DDBDRO C[N@@H+]1C[C@@]2(C)CN(CCn3cc([N+](=O)[O-])ccc3=O)C[C@@]2(C)C1 ZINC000931311826 714062645 /nfs/dbraw/zinc/06/26/45/714062645.db2.gz PQEPZGCCPZGLNW-IYBDPMFKSA-N 1 0 320.393 1.030 20 5 DDBDRO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000923371047 714331538 /nfs/dbraw/zinc/33/15/38/714331538.db2.gz URIYHHQVQCWIBF-JXFSHQFZSA-N 1 0 323.393 1.311 20 5 DDBDRO C[NH2+]CCN(C[C@@H](O)COc1ccccc1[N+](=O)[O-])C(C)C ZINC000923432590 714353992 /nfs/dbraw/zinc/35/39/92/714353992.db2.gz GFSJSJQRTJSVCT-CYBMUJFWSA-N 1 0 311.382 1.264 20 5 DDBDRO O=[N+]([O-])c1ccccc1CN1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000934252387 714774830 /nfs/dbraw/zinc/77/48/30/714774830.db2.gz MOODQSACGBAKRJ-CVEARBPZSA-N 1 0 305.378 1.626 20 5 DDBDRO O=[N+]([O-])c1cccc(CN2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)c1 ZINC000934255651 714776474 /nfs/dbraw/zinc/77/64/74/714776474.db2.gz UYKMPXXWQJCOLF-HZPDHXFCSA-N 1 0 305.378 1.626 20 5 DDBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1C[NH2+]C[C@H]1C ZINC000925785347 714934808 /nfs/dbraw/zinc/93/48/08/714934808.db2.gz KRNQHBUMNHTCSQ-JTNHKYCSSA-N 1 0 306.366 1.509 20 5 DDBDRO C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)C2 ZINC000935665239 715113451 /nfs/dbraw/zinc/11/34/51/715113451.db2.gz AHFWTPCCFAAKEY-LSDHHAIUSA-N 1 0 315.373 1.862 20 5 DDBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)Cn1c(C)ncc1[N+](=O)[O-] ZINC000935965028 715140684 /nfs/dbraw/zinc/14/06/84/715140684.db2.gz VYFJGQHJLQXEAC-LBPRGKRZSA-N 1 0 309.370 1.090 20 5 DDBDRO Nc1nc(N2CC3(C2)CC[N@H+](CC2CC2)C3)ccc1[N+](=O)[O-] ZINC001164773961 721291375 /nfs/dbraw/zinc/29/13/75/721291375.db2.gz UURIOTPWKLPOIY-UHFFFAOYSA-N 1 0 303.366 1.494 20 5 DDBDRO CN(CC1CC[NH+](C)CC1)c1cc([N+](=O)[O-])cc(Cl)[n+]1[O-] ZINC001165042076 721935164 /nfs/dbraw/zinc/93/51/64/721935164.db2.gz FFLNKTBWYKQZGD-UHFFFAOYSA-N 1 0 314.773 1.660 20 5 DDBDRO Cc1cccnc1C(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001125424800 733291630 /nfs/dbraw/zinc/29/16/30/733291630.db2.gz UJDUJUCTPHPRIK-UHFFFAOYSA-N 1 0 314.345 1.818 20 5 DDBDRO CC(F)(F)C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001021772024 733533706 /nfs/dbraw/zinc/53/37/06/733533706.db2.gz RAKCKKZNFFWQGH-PHIMTYICSA-N 1 0 313.304 1.987 20 5 DDBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C1CC(F)(F)C1 ZINC001125489939 733600918 /nfs/dbraw/zinc/60/09/18/733600918.db2.gz ZVTVNBDXPYKBME-UHFFFAOYSA-N 1 0 313.304 1.846 20 5 DDBDRO Cc1cc(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])cnn1 ZINC001126251107 738770016 /nfs/dbraw/zinc/77/00/16/738770016.db2.gz SXUWBJOUXZHDEF-UHFFFAOYSA-N 1 0 315.333 1.213 20 5 DDBDRO Cc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c(C)c1 ZINC001022064171 734369061 /nfs/dbraw/zinc/36/90/61/734369061.db2.gz ZGANVFSRBYMGAX-QKPAOTATSA-N 1 0 317.389 1.705 20 5 DDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@H]2CCC[C@@H](C1)N2C/C=C\Cl ZINC001039583278 735103335 /nfs/dbraw/zinc/10/33/35/735103335.db2.gz KBWCYMQQKSOUMM-NHPWBWSGSA-N 1 0 313.785 1.469 20 5 DDBDRO CCc1nc(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)co1 ZINC001126061519 738219255 /nfs/dbraw/zinc/21/92/55/738219255.db2.gz JTILBLUKUOVILQ-UHFFFAOYSA-N 1 0 318.333 1.665 20 5 DDBDRO Cc1cc[nH]c1C(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001126513675 740527463 /nfs/dbraw/zinc/52/74/63/740527463.db2.gz GNAMZSUHQBHANQ-UHFFFAOYSA-N 1 0 302.334 1.751 20 5 DDBDRO CCCc1ccc(C[NH2+]CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC001126936430 742830506 /nfs/dbraw/zinc/83/05/06/742830506.db2.gz HJXBKHRCLUJKDQ-HUUCEWRRSA-N 1 0 305.378 1.510 20 5 DDBDRO CCn1c([C@H](C)[N+](=O)[O-])nnc1N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC001121698906 744859675 /nfs/dbraw/zinc/85/96/75/744859675.db2.gz LUVJVWAONGESML-TUAOUCFPSA-N 1 0 308.386 1.166 20 5 DDBDRO CC[C@@H]([NH2+]C[C@H](O)C[C@@]1(O)CCOC1)c1cccc([N+](=O)[O-])c1 ZINC001192814707 745902860 /nfs/dbraw/zinc/90/28/60/745902860.db2.gz YBNVOWIYDOUCGU-OAGGEKHMSA-N 1 0 324.377 1.538 20 5 DDBDRO O=[N+]([O-])c1cc(F)c(CN2CC[C@@H](c3nn[nH]n3)C2)c(F)c1 ZINC001197295463 747123480 /nfs/dbraw/zinc/12/34/80/747123480.db2.gz GRCJOCQPZHQBMG-SSDOTTSWSA-N 1 0 310.264 1.376 20 5 DDBDRO O=C(Cc1ccon1)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001125104391 748866262 /nfs/dbraw/zinc/86/62/62/748866262.db2.gz XMFBQUBMPWULSH-UHFFFAOYSA-N 1 0 304.306 1.031 20 5 DDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([NH2+]CC2CC3(CCC3)C2)CC1 ZINC000996440914 749574853 /nfs/dbraw/zinc/57/48/53/749574853.db2.gz OUHBOFJCFDFJBO-HUUCEWRRSA-N 1 0 321.421 1.813 20 5 DDBDRO Cn1cc(N2C[C@@H](CC[NH3+])c3ccccc32)cc([N+](=O)[O-])c1=O ZINC001168544912 750543484 /nfs/dbraw/zinc/54/34/84/750543484.db2.gz UCJOAFKJUBINHA-LLVKDONJSA-N 1 0 314.345 1.878 20 5 DDBDRO O=C(NCC1([NH2+]CC2CCC2)CCCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001115530807 751048700 /nfs/dbraw/zinc/04/87/00/751048700.db2.gz SINIVLDOFORJKT-ZIAGYGMSSA-N 1 0 309.410 1.860 20 5 DDBDRO COC(=O)Cc1ccc(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)cc1 ZINC001168977012 762146908 /nfs/dbraw/zinc/14/69/08/762146908.db2.gz GRYQQBLQDLRUNS-LSDHHAIUSA-N 1 0 306.362 1.937 20 5 DDBDRO O=C(c1ccco1)N1CCC([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168977309 762147494 /nfs/dbraw/zinc/14/74/94/762147494.db2.gz JHMTYSFTIGIMDU-TZMCWYRMSA-N 1 0 321.377 1.919 20 5 DDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CC2CCN(c3ccncn3)CC2)C1 ZINC001168997454 762169941 /nfs/dbraw/zinc/16/99/41/762169941.db2.gz ZMZYGLPZQYAQLC-GJZGRUSLSA-N 1 0 319.409 1.728 20 5 DDBDRO O=C(N[C@H]1CC[C@H]([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1)C1CC1 ZINC001168997874 762170056 /nfs/dbraw/zinc/17/00/56/762170056.db2.gz GCROBWZZWRJODV-NGFQHRJXSA-N 1 0 309.410 1.859 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H]2CCCN(c3ncccn3)C2)C1 ZINC001168999788 762171689 /nfs/dbraw/zinc/17/16/89/762171689.db2.gz VRKWZQGORYLOGB-RDBSUJKOSA-N 1 0 305.382 1.480 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2cncn2C2CCOCC2)C1 ZINC001169002301 762173085 /nfs/dbraw/zinc/17/30/85/762173085.db2.gz KJHCYSFANBOIDA-CHWSQXEVSA-N 1 0 308.382 1.770 20 5 DDBDRO O=C1c2ccccc2[C@@H]2C[N@H+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)CCN12 ZINC001169010276 762178010 /nfs/dbraw/zinc/17/80/10/762178010.db2.gz CCIKQPDPOMNBPE-XEZPLFJOSA-N 1 0 315.373 1.945 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CC2CCN(c3ncccn3)CC2)C1 ZINC001168990931 762182487 /nfs/dbraw/zinc/18/24/87/762182487.db2.gz FQJFBFUCCKRRCP-HUUCEWRRSA-N 1 0 319.409 1.728 20 5 DDBDRO O=C(NC1CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1)C1CCC1 ZINC001169027432 762183226 /nfs/dbraw/zinc/18/32/26/762183226.db2.gz PPBLHNBOEVNFLF-IUODEOHRSA-N 1 0 309.410 1.813 20 5 DDBDRO CC1(N2CCOCC2)CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169039271 762193596 /nfs/dbraw/zinc/19/35/96/762193596.db2.gz OZBOMVPYPYDUQL-LSDHHAIUSA-N 1 0 311.426 1.619 20 5 DDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CCN(Cc3ccncc3)CC2)C1 ZINC001169024932 762202372 /nfs/dbraw/zinc/20/23/72/762202372.db2.gz HVZPEROECIXDMQ-HOTGVXAUSA-N 1 0 304.394 1.645 20 5 DDBDRO O=C([C@@H]1CCCC[N@H+]1[C@@H]1CC[C@H](C[N+](=O)[O-])C1)N1CCCC1 ZINC001169024995 762202580 /nfs/dbraw/zinc/20/25/80/762202580.db2.gz IKACOTZHJRNTKI-ZNMIVQPWSA-N 1 0 309.410 1.909 20 5 DDBDRO CN(C)C(=O)[C@@H]1CC12CC[NH+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169026427 762203612 /nfs/dbraw/zinc/20/36/12/762203612.db2.gz WXKFBISZKCXFMS-MJBXVCDLSA-N 1 0 309.410 1.622 20 5 DDBDRO O=C1[C@H]2C[N@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@H]2CN1CC1CC1 ZINC001169025219 762203661 /nfs/dbraw/zinc/20/36/61/762203661.db2.gz YDZUWGPWPFHOBM-BARDWOONSA-N 1 0 307.394 1.232 20 5 DDBDRO O=[N+]([O-])C[C@H]1CC[C@@H](N(c2ccncn2)C2CC[NH2+]CC2)C1 ZINC001169053924 762209161 /nfs/dbraw/zinc/20/91/61/762209161.db2.gz KMIRFBZCQKFKIW-GXTWGEPZSA-N 1 0 305.382 1.480 20 5 DDBDRO C[NH+](C)CCOc1cc(N[C@H]2COC(=O)C2)ccc1[N+](=O)[O-] ZINC001169128880 762245455 /nfs/dbraw/zinc/24/54/55/762245455.db2.gz ZXGMZSOREJRNOK-LLVKDONJSA-N 1 0 309.322 1.263 20 5 DDBDRO CNc1nccc(C(=O)N2CCC([NH+]3CCC3)CC2)c1[N+](=O)[O-] ZINC000824095194 759149484 /nfs/dbraw/zinc/14/94/84/759149484.db2.gz OTYVJQLXBISJMI-UHFFFAOYSA-N 1 0 319.365 1.342 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])ncc1NCC(C)(C)C[NH+](C)C ZINC001168769506 759260289 /nfs/dbraw/zinc/26/02/89/759260289.db2.gz VPPMZSFVXRZYQN-UHFFFAOYSA-N 1 0 310.354 1.776 20 5 DDBDRO Cc1ccccc1C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001086363463 761493155 /nfs/dbraw/zinc/49/31/55/761493155.db2.gz VRTBPFOWQGSUTP-DTZQCDIJSA-N 1 0 317.389 1.645 20 5 DDBDRO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1C[NH+](CC2CCCCCC2)C1 ZINC001042706168 764374697 /nfs/dbraw/zinc/37/46/97/764374697.db2.gz WIVIUSMPPAPBGC-HUUCEWRRSA-N 1 0 309.410 1.765 20 5 DDBDRO COc1ccc(C[C@H](C)[NH+]2CC3(CC(O)C3)C2)c([N+](=O)[O-])c1 ZINC001170328726 766254159 /nfs/dbraw/zinc/25/41/59/766254159.db2.gz LRGNAPODEQBBRT-NSHDSACASA-N 1 0 306.362 1.991 20 5 DDBDRO CCC(CO)(CO)[NH2+][C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170309219 766259348 /nfs/dbraw/zinc/25/93/48/766259348.db2.gz PLRITHFZYYCYAJ-LLVKDONJSA-N 1 0 312.366 1.257 20 5 DDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC001129933625 767052631 /nfs/dbraw/zinc/05/26/31/767052631.db2.gz XYRSOQXDLCWRTH-FPCVCCKLSA-N 1 0 315.373 1.385 20 5 DDBDRO CCn1c(C[N+](=O)[O-])nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001121701617 782633768 /nfs/dbraw/zinc/63/37/68/782633768.db2.gz VNLYDDYINKZPKF-UHFFFAOYSA-N 1 0 322.413 1.529 20 5 DDBDRO CCC(=O)NCCC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001096243981 768742311 /nfs/dbraw/zinc/74/23/11/768742311.db2.gz RISXCJOOWKOHIF-UHFFFAOYSA-N 1 0 320.393 1.633 20 5 DDBDRO CCc1nocc1C(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001133489693 769889882 /nfs/dbraw/zinc/88/98/82/769889882.db2.gz UWXKEDZRBAJVCG-UHFFFAOYSA-N 1 0 318.333 1.665 20 5 DDBDRO Cc1cc(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)ccn1 ZINC001135559097 771576971 /nfs/dbraw/zinc/57/69/71/771576971.db2.gz DKCYDDMLKUILKU-UHFFFAOYSA-N 1 0 314.345 1.818 20 5 DDBDRO O=C(NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ncccc1F ZINC001135723493 771674142 /nfs/dbraw/zinc/67/41/42/771674142.db2.gz WYUDJSIUVDQCPX-UHFFFAOYSA-N 1 0 318.308 1.649 20 5 DDBDRO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1c(Cl)nccc1[N+](=O)[O-] ZINC001170867463 771784471 /nfs/dbraw/zinc/78/44/71/771784471.db2.gz GMANSAIJLJPPJY-HTQZYQBOSA-N 1 0 314.729 1.206 20 5 DDBDRO COc1nc(N[C@@H]2CC[NH2+]C[C@@H]2C(F)(F)F)ncc1[N+](=O)[O-] ZINC001160733445 772651493 /nfs/dbraw/zinc/65/14/93/772651493.db2.gz WFFFYBILNQCOQS-NKWVEPMBSA-N 1 0 321.259 1.346 20 5 DDBDRO Cn1cc(-n2c(CC[NH3+])cc3ccccc32)cc([N+](=O)[O-])c1=O ZINC001171303141 773130210 /nfs/dbraw/zinc/13/02/10/773130210.db2.gz ZXUNPLPCUFFSOW-UHFFFAOYSA-N 1 0 312.329 1.739 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(NCCNC(=O)C2(C[NH+](C)C)CC2)n1 ZINC001094089584 775422239 /nfs/dbraw/zinc/42/22/39/775422239.db2.gz AMMXIFXOVQNHFL-UHFFFAOYSA-N 1 0 321.381 1.168 20 5 DDBDRO CC[NH+](CC)CC(=O)NCCN(C)c1ccc(C)cc1[N+](=O)[O-] ZINC001100125979 775710628 /nfs/dbraw/zinc/71/06/28/775710628.db2.gz YVKUPBTXQGIUIT-UHFFFAOYSA-N 1 0 322.409 1.797 20 5 DDBDRO CC[NH+](CC)CC(=O)NCCCNc1ncc(C)cc1[N+](=O)[O-] ZINC001094441790 775878160 /nfs/dbraw/zinc/87/81/60/775878160.db2.gz BLBOXIORSOGEFH-UHFFFAOYSA-N 1 0 323.397 1.558 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(NCCCNC(=O)CC[NH+](C)C)c1 ZINC001094752250 776247370 /nfs/dbraw/zinc/24/73/70/776247370.db2.gz HXVLDAQVOCRXDG-UHFFFAOYSA-N 1 0 308.382 1.773 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CCn2cncn2)c1F ZINC001173180394 777035091 /nfs/dbraw/zinc/03/50/91/777035091.db2.gz VYXLAVYIZFSQRQ-JTQLQIEISA-N 1 0 323.328 1.555 20 5 DDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCS(=O)(=O)N(C)C ZINC001173232693 777063574 /nfs/dbraw/zinc/06/35/74/777063574.db2.gz FRPMASTZEHJDEU-NSHDSACASA-N 1 0 315.395 1.007 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(NCCN(C)C(=O)CC[NH+](C)C)n1 ZINC001101926889 777687779 /nfs/dbraw/zinc/68/77/79/777687779.db2.gz COTRBSGECPJZAR-UHFFFAOYSA-N 1 0 309.370 1.120 20 5 DDBDRO CO[C@@H]1CCOC[C@H]1[NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001176463495 778156164 /nfs/dbraw/zinc/15/61/64/778156164.db2.gz HWBGQBCSMKGRFZ-ZLKJLUDKSA-N 1 0 323.349 1.315 20 5 DDBDRO O=C(Cc1ccc[nH]1)NCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001176659251 778220608 /nfs/dbraw/zinc/22/06/08/778220608.db2.gz ZEZXHLMXOQXBEU-UHFFFAOYSA-N 1 0 322.390 1.823 20 5 DDBDRO O=C(NCCCCCC[NH2+]Cc1ccccn1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001178458723 779059074 /nfs/dbraw/zinc/05/90/74/779059074.db2.gz VEBCZMSTIUMIFS-HUUCEWRRSA-N 1 0 320.393 1.513 20 5 DDBDRO CC[N@@H+]1C[C@@H](NC(=O)COc2cccc([N+](=O)[O-])c2)C(C)(C)C1 ZINC001178861627 779214419 /nfs/dbraw/zinc/21/44/19/779214419.db2.gz ZTUYTTYAVOLZMJ-CQSZACIVSA-N 1 0 321.377 1.820 20 5 DDBDRO Cc1cncc([N+](=O)[O-])c1N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC001117290505 780707255 /nfs/dbraw/zinc/70/72/55/780707255.db2.gz YYKQXDFZZJGGIN-OCCSQVGLSA-N 1 0 306.366 1.334 20 5 DDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC001118138089 781039867 /nfs/dbraw/zinc/03/98/67/781039867.db2.gz SLHDVGKNWQCCQO-UHFFFAOYSA-N 1 0 318.377 1.852 20 5 DDBDRO CC[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1c(C)cccc1C ZINC001267240889 837586539 /nfs/dbraw/zinc/58/65/39/837586539.db2.gz BZVLXLNKVGHBKI-GDBMZVCRSA-N 1 0 319.405 1.907 20 5 DDBDRO COCCC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001266571790 836483331 /nfs/dbraw/zinc/48/33/31/836483331.db2.gz HVZWPTHWJUAHTR-JOCQHMNTSA-N 1 0 307.350 1.368 20 5 DDBDRO Cc1cc(C(=O)N(C)CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)no1 ZINC001267344847 837871251 /nfs/dbraw/zinc/87/12/51/837871251.db2.gz VWJJPXVIDUMICA-UHFFFAOYSA-N 1 0 318.333 1.753 20 5 DDBDRO CN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)Cc1ncc[nH]1 ZINC001267446350 838062477 /nfs/dbraw/zinc/06/24/77/838062477.db2.gz PJTFKFQATDRCCR-UHFFFAOYSA-N 1 0 317.349 1.109 20 5 DDBDRO Cc1ccc(F)cc1C[NH2+]C/C=C/CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001268544108 840422672 /nfs/dbraw/zinc/42/26/72/840422672.db2.gz ZHGZZWFUYQTLER-SWVJOTTGSA-N 1 0 321.352 1.561 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cc(Cl)c(Cl)cn1 ZINC001229220847 844561924 /nfs/dbraw/zinc/56/19/24/844561924.db2.gz KIEPSMXCIFZLFG-MRVPVSSYSA-N 1 0 308.185 1.751 20 5 DDBDRO Nc1c(C(=O)N[C@H]2C[C@@H]([NH+]3CCCC3)C2)cccc1[N+](=O)[O-] ZINC001142937101 861316264 /nfs/dbraw/zinc/31/62/64/861316264.db2.gz DYDZNGXQTQUVHM-PHIMTYICSA-N 1 0 304.350 1.534 20 5 DDBDRO C[C@@H](C[N+](C)(C)C)OC[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC001224568958 844916727 /nfs/dbraw/zinc/91/67/27/844916727.db2.gz PTDHZTAPIAEFQM-UONOGXRCSA-N 1 0 317.450 1.734 20 5 DDBDRO C[NH+](C)C[C@H]1COCCN1c1nccc(Cl)c1[N+](=O)[O-] ZINC001154962808 861604937 /nfs/dbraw/zinc/60/49/37/861604937.db2.gz WIEMWZASKBXYSP-VIFPVBQESA-N 1 0 300.746 1.410 20 5 DDBDRO C[NH+](C)C[C@H]1COCCN1c1cnc2ccc([N+](=O)[O-])cc2n1 ZINC001154966474 861607143 /nfs/dbraw/zinc/60/71/43/861607143.db2.gz AZULXDJKTPBPKW-LBPRGKRZSA-N 1 0 317.349 1.305 20 5 DDBDRO C[NH+](C)C[C@@H]1COCCN1c1ccc2[nH]cc([N+](=O)[O-])c2n1 ZINC001154979087 861619288 /nfs/dbraw/zinc/61/92/88/861619288.db2.gz WKXSOTSVBDMUKH-SNVBAGLBSA-N 1 0 305.338 1.238 20 5 DDBDRO COc1nc(C)c([N+](=O)[O-])c(NC[C@@H]2CCC[NH2+]C[C@@H]2C)n1 ZINC001155026017 861656227 /nfs/dbraw/zinc/65/62/27/861656227.db2.gz RMUDOASUTPKFPH-ONGXEEELSA-N 1 0 309.370 1.749 20 5 DDBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC001155038692 861667408 /nfs/dbraw/zinc/66/74/08/861667408.db2.gz VKWSVPYNLHCPMR-IUCAKERBSA-N 1 0 312.301 1.278 20 5 DDBDRO [NH3+]Cc1ccnn1C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1 ZINC001155123821 861755232 /nfs/dbraw/zinc/75/52/32/861755232.db2.gz KIOJWCHSJFCUTG-UHFFFAOYSA-N 1 0 303.656 1.896 20 5 DDBDRO CN(CCC[N@H+](C)Cc1ccc(F)cc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001327212482 861966049 /nfs/dbraw/zinc/96/60/49/861966049.db2.gz IPHQWVKIATVWQW-HUUCEWRRSA-N 1 0 323.368 1.771 20 5 DDBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001293855046 849612053 /nfs/dbraw/zinc/61/20/53/849612053.db2.gz LHQXWTIHCFXOFB-HTQZYQBOSA-N 1 0 315.761 1.384 20 5 DDBDRO O=[N+]([O-])c1cc2ccccc2nc1N[C@@H]1COCCC12C[NH2+]C2 ZINC001155467019 862115859 /nfs/dbraw/zinc/11/58/59/862115859.db2.gz AOBOFXKRKOHUTF-CQSZACIVSA-N 1 0 314.345 1.933 20 5 DDBDRO O=[N+]([O-])c1cc(F)cnc1NC[C@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001155592430 862268415 /nfs/dbraw/zinc/26/84/15/862268415.db2.gz OZFWDJHRLCMEIV-IINYFYTJSA-N 1 0 310.329 1.700 20 5 DDBDRO O=[N+]([O-])c1cc(Cl)cnc1N[C@@H]1CCO[C@]2(CC[NH2+]C2)C1 ZINC001155619590 862301604 /nfs/dbraw/zinc/30/16/04/862301604.db2.gz QKZXQMIPGBJBIW-ZWNOBZJWSA-N 1 0 312.757 1.966 20 5 DDBDRO O=[N+]([O-])c1cc(Cl)c2ncnc(N3C[C@H]4C[NH2+]C[C@@H]4C3)c2c1 ZINC001327617092 862319868 /nfs/dbraw/zinc/31/98/68/862319868.db2.gz QNTUOECBRCAOCR-RKDXNWHRSA-N 1 0 319.752 1.847 20 5 DDBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N(c2ncccn2)C2C[NH2+]C2)n1 ZINC001155869494 862522610 /nfs/dbraw/zinc/52/26/10/862522610.db2.gz FXTYMQICHQHIHY-UHFFFAOYSA-N 1 0 320.740 1.852 20 5 DDBDRO O=[N+]([O-])c1cc[n+]([O-])c(N2CC[NH2+]C[C@H]2c2cccs2)c1 ZINC001156089822 862715181 /nfs/dbraw/zinc/71/51/81/862715181.db2.gz TUSFMAQYXULKMT-NSHDSACASA-N 1 0 306.347 1.441 20 5 DDBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N(CCC[NH3+])C(C)C)n1 ZINC001156124487 862739951 /nfs/dbraw/zinc/73/99/51/862739951.db2.gz LWNVCDQFMBJSMD-UHFFFAOYSA-N 1 0 310.358 1.215 20 5 DDBDRO C[C@@H]1C[NH2+][C@@H](C)[C@@H](C)N1C(=O)COc1ccccc1[N+](=O)[O-] ZINC001122264870 858729525 /nfs/dbraw/zinc/72/95/25/858729525.db2.gz YEIVEBPUKOIWMF-GRYCIOLGSA-N 1 0 307.350 1.571 20 5 DDBDRO CC(C)OCCC(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001123834461 859434339 /nfs/dbraw/zinc/43/43/39/859434339.db2.gz CBIIQSWHWSFYHQ-UHFFFAOYSA-N 1 0 309.366 1.616 20 5 DDBDRO Cc1[nH]nc(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)c1C ZINC001125038978 859877692 /nfs/dbraw/zinc/87/76/92/859877692.db2.gz CMKVPZWZERQUOE-UHFFFAOYSA-N 1 0 317.349 1.454 20 5 DDBDRO COC(=O)[C@@H](CCC[NH3+])Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC001157114177 863590685 /nfs/dbraw/zinc/59/06/85/863590685.db2.gz CNMSVFGEWCMFJC-MRVPVSSYSA-N 1 0 302.718 1.336 20 5 DDBDRO Cc1cc(-n2ccnc2C(N)=[NH2+])nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001157625839 863988095 /nfs/dbraw/zinc/98/80/95/863988095.db2.gz AWWHTBIUMMHQCC-UHFFFAOYSA-N 1 0 323.316 1.830 20 5 DDBDRO Cc1ncn(-c2ncc([N+](=O)[O-])cc2F)c1CSCC[NH3+] ZINC001157962295 864308444 /nfs/dbraw/zinc/30/84/44/864308444.db2.gz ZIHOIHUYFXSSSK-UHFFFAOYSA-N 1 0 311.342 1.815 20 5 DDBDRO [NH3+]CCc1cnn(-c2nc(Cl)nc(Cl)c2[N+](=O)[O-])c1 ZINC001158098898 864427620 /nfs/dbraw/zinc/42/76/20/864427620.db2.gz NRYJVAGZWYLLIX-UHFFFAOYSA-N 1 0 303.109 1.379 20 5 DDBDRO O=[N+]([O-])c1cnc(N2CCO[C@H](C[NH+]3CCCC3)C2)c(F)c1 ZINC001158309078 864563374 /nfs/dbraw/zinc/56/33/74/864563374.db2.gz ATMWWNGOGRSHDO-GFCCVEGCSA-N 1 0 310.329 1.430 20 5 DDBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1-n1cc(CC[NH3+])c2ncccc21 ZINC001158751290 864879568 /nfs/dbraw/zinc/87/95/68/864879568.db2.gz JOUWUMHCIWMKMG-UHFFFAOYSA-N 1 0 313.317 1.377 20 5 DDBDRO CCOc1nc(-n2nnc3ccc(C[NH3+])cc32)ccc1[N+](=O)[O-] ZINC001159029218 865055960 /nfs/dbraw/zinc/05/59/60/865055960.db2.gz MMTMSWUDJAAGII-UHFFFAOYSA-N 1 0 314.305 1.581 20 5 DDBDRO CN(CC[NH3+])CCNC(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1 ZINC001159431536 865286688 /nfs/dbraw/zinc/28/66/88/865286688.db2.gz OIRFLNNQBAPHQQ-UHFFFAOYSA-N 1 0 323.731 1.173 20 5 DDBDRO [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001332227856 865680120 /nfs/dbraw/zinc/68/01/20/865680120.db2.gz CDDFAWUYUNYQCL-WOSRLPQWSA-N 1 0 301.346 1.607 20 5 DDBDRO Cc1cc([N+](=O)[O-])cnc1NC1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC001161463547 866683335 /nfs/dbraw/zinc/68/33/35/866683335.db2.gz MMUPKGROPWQFID-CYBMUJFWSA-N 1 0 305.382 1.536 20 5 DDBDRO C[NH+](C)CCOc1cc(NCC(=O)NC2CC2)ccc1[N+](=O)[O-] ZINC001161898004 867080536 /nfs/dbraw/zinc/08/05/36/867080536.db2.gz VHSXYNDNDNHMMS-UHFFFAOYSA-N 1 0 322.365 1.226 20 5 DDBDRO COC(=O)c1ccc(C[NH3+])n1-c1nc(C)cc(C)c1[N+](=O)[O-] ZINC001161934178 867112307 /nfs/dbraw/zinc/11/23/07/867112307.db2.gz JEBXFFVYAPUNBX-UHFFFAOYSA-N 1 0 304.306 1.643 20 5 DDBDRO COC(=O)[C@@H](Nc1ccc2ncccc2c1[N+](=O)[O-])C(C)(C)[NH3+] ZINC001162950583 867940071 /nfs/dbraw/zinc/94/00/71/867940071.db2.gz WVYBRWAVCCHIKE-CYBMUJFWSA-N 1 0 318.333 1.834 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cccnc1Br ZINC001225983950 882144811 /nfs/dbraw/zinc/14/48/11/882144811.db2.gz VLAKBMJEBHVJCH-SECBINFHSA-N 1 0 318.191 1.207 20 5 DDBDRO O=[N+]([O-])c1cnc(NCC[C@H]2C[NH2+]Cc3cccn3C2)nc1 ZINC001163051144 868036045 /nfs/dbraw/zinc/03/60/45/868036045.db2.gz YZHLFXCECXQTON-NSHDSACASA-N 1 0 302.338 1.408 20 5 DDBDRO COC(=O)c1ncc([N+](=O)[O-])c(C)c1N[C@H]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC001163263122 868279314 /nfs/dbraw/zinc/27/93/14/868279314.db2.gz ZVSZFAKSINRZCG-VWYCJHECSA-N 1 0 320.349 1.495 20 5 DDBDRO COc1cc([N+](=O)[O-])cnc1NC[C@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001163269136 868286543 /nfs/dbraw/zinc/28/65/43/868286543.db2.gz WOOTZIFTYBIKPV-XHDPSFHLSA-N 1 0 322.365 1.569 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(NC[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)n1 ZINC001163279748 868304331 /nfs/dbraw/zinc/30/43/31/868304331.db2.gz OEAOPRSPWUWTLF-DOMZBBRYSA-N 1 0 306.366 1.869 20 5 DDBDRO Nc1ccnc(NC[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)c1[N+](=O)[O-] ZINC001163281318 868307327 /nfs/dbraw/zinc/30/73/27/868307327.db2.gz WRPDBOHOWRFMGC-QMTHXVAHSA-N 1 0 307.354 1.143 20 5 DDBDRO O=[N+]([O-])c1cccc2cnc(N[C@H]3C[NH2+][C@@H]4CCO[C@@H]43)nc21 ZINC001163337840 868368914 /nfs/dbraw/zinc/36/89/14/868368914.db2.gz ZOYSEANDXVMAKN-NRUUGDAUSA-N 1 0 301.306 1.079 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@H]2CCc3cncn3C2)c1 ZINC001335889540 868598761 /nfs/dbraw/zinc/59/87/61/868598761.db2.gz FNXPQUZHJJAOFB-WFASDCNBSA-N 1 0 302.334 1.429 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@H](C)CC[C@@H]2C[NH3+])n1 ZINC001164078736 868928587 /nfs/dbraw/zinc/92/85/87/868928587.db2.gz PVGKGSKITHJJAZ-NXEZZACHSA-N 1 0 308.338 1.340 20 5 DDBDRO Cc1ccc(CNC(=O)NCC[C@@H]2C[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC001336920006 869218245 /nfs/dbraw/zinc/21/82/45/869218245.db2.gz CUBFOWBRRWRCGB-TZMCWYRMSA-N 1 0 320.393 1.948 20 5 DDBDRO Cc1nn(CCC(=O)N[C@@H]2C[NH+]3CCC2CC3)c(C)c1[N+](=O)[O-] ZINC001337355695 869450845 /nfs/dbraw/zinc/45/08/45/869450845.db2.gz IBOVXWCBQALPNH-CYBMUJFWSA-N 1 0 321.381 1.009 20 5 DDBDRO O=[N+]([O-])c1cccc2nc(N3CC[C@@H]4[NH2+]CCO[C@H]4C3)ccc21 ZINC001165270654 869481919 /nfs/dbraw/zinc/48/19/19/869481919.db2.gz IYIDUKZSNHSOBQ-ZFWWWQNUSA-N 1 0 314.345 1.710 20 5 DDBDRO O=[N+]([O-])c1ccc(-c2ccc(N3CCC[C@@H]4[NH2+]C[C@@H]43)nn2)cc1 ZINC001165395241 869564559 /nfs/dbraw/zinc/56/45/59/869564559.db2.gz UJXIZZDFXBWLTH-GJZGRUSLSA-N 1 0 311.345 1.992 20 5 DDBDRO COc1cc([N+](=O)[O-])cnc1N[C@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC001338083764 869791354 /nfs/dbraw/zinc/79/13/54/869791354.db2.gz JKWFCLSDLNHXRD-PWSUYJOCSA-N 1 0 309.370 1.045 20 5 DDBDRO N=c1nc([C@H]2CCC[NH2+]2)ccn1-c1cc([N+](=O)[O-])cc(Cl)n1 ZINC001166700831 870168039 /nfs/dbraw/zinc/16/80/39/870168039.db2.gz PUMYHTHQMHGIHW-SECBINFHSA-N 1 0 320.740 1.733 20 5 DDBDRO CCOc1cc(NC2(C(=O)OC)CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC001166967961 870431167 /nfs/dbraw/zinc/43/11/67/870431167.db2.gz OQXUUKREROWDBI-UHFFFAOYSA-N 1 0 323.349 1.701 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC001340605407 871226665 /nfs/dbraw/zinc/22/66/65/871226665.db2.gz YOPKCGDXPCTONL-DTWKUNHWSA-N 1 0 320.271 1.285 20 5 DDBDRO COc1c(O)ccc(C[NH2+]CCc2ccn(C)n2)c1[N+](=O)[O-] ZINC001205231074 871447863 /nfs/dbraw/zinc/44/78/63/871447863.db2.gz QEHGTTBWINRDRD-UHFFFAOYSA-N 1 0 306.322 1.375 20 5 DDBDRO C[C@H]1C[NH2+][C@@H](C)[C@H](C)N1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC001341027565 871474116 /nfs/dbraw/zinc/47/41/16/871474116.db2.gz JBSLSTVHEIGPPN-SRVKXCTJSA-N 1 0 306.366 1.604 20 5 DDBDRO C[C@@H]1C[NH2+][C@@H](C)[C@H](C)N1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC001341027566 871475057 /nfs/dbraw/zinc/47/50/57/871475057.db2.gz JBSLSTVHEIGPPN-WOPDTQHZSA-N 1 0 306.366 1.604 20 5 DDBDRO COC1(C(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)CC[NH2+]CC1 ZINC001341107561 871506450 /nfs/dbraw/zinc/50/64/50/871506450.db2.gz GKUBTKJIPVGOSA-LLVKDONJSA-N 1 0 307.350 1.541 20 5 DDBDRO Cn1cc(Cl)c(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])n1 ZINC001308747291 871524035 /nfs/dbraw/zinc/52/40/35/871524035.db2.gz OLLLNKQUMUTASH-UHFFFAOYSA-N 1 0 309.757 1.947 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC001341811268 871837672 /nfs/dbraw/zinc/83/76/72/871837672.db2.gz HAXUOYWGXPOQNZ-GDBMZVCRSA-N 1 0 319.361 1.622 20 5 DDBDRO COc1ccc(C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1[N+](=O)[O-] ZINC001341906281 871891021 /nfs/dbraw/zinc/89/10/21/871891021.db2.gz JQUOXCCYYASSIU-NWDGAFQWSA-N 1 0 305.334 1.285 20 5 DDBDRO [NH3+]CC12CC(C1)CN2C(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001342130957 872022508 /nfs/dbraw/zinc/02/25/08/872022508.db2.gz VXHOSAOBUPZLJW-BNTIEQFTSA-N 1 0 301.346 1.648 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)OCc1ccc2ccccc2n1 ZINC001206059329 872024561 /nfs/dbraw/zinc/02/45/61/872024561.db2.gz LLRCFMAGPWKDHN-OAHLLOKOSA-N 1 0 303.382 1.735 20 5 DDBDRO [NH3+]C[C@]12CC[C@H]1CCN2C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC001342260967 872107596 /nfs/dbraw/zinc/10/75/96/872107596.db2.gz YNHJMASNQCJKBW-BLLLJJGKSA-N 1 0 319.361 1.704 20 5 DDBDRO C[NH+]1CCC2(CC[C@@H](COc3ncc([N+](=O)[O-])cn3)O2)CC1 ZINC001226730926 882615711 /nfs/dbraw/zinc/61/57/11/882615711.db2.gz JKHPJEXUAPQPGO-LBPRGKRZSA-N 1 0 308.338 1.407 20 5 DDBDRO C[C@H](CNC(=O)[C@@H]1C[C@H]([NH3+])[C@H]2C[C@H]21)c1ccccc1[N+](=O)[O-] ZINC001345323402 873354579 /nfs/dbraw/zinc/35/45/79/873354579.db2.gz BRUDFACAHBSWIA-LPUQOGTASA-N 1 0 303.362 1.798 20 5 DDBDRO C[NH+](C)CCCNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001348078161 874351995 /nfs/dbraw/zinc/35/19/95/874351995.db2.gz RGNSNEZMBZPJLX-UHFFFAOYSA-N 1 0 306.366 1.614 20 5 DDBDRO C[NH2+][C@@H](C)CCNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC001349306699 875105230 /nfs/dbraw/zinc/10/52/30/875105230.db2.gz MPIYONJCKGTJOR-QMMMGPOBSA-N 1 0 321.786 1.525 20 5 DDBDRO C[C@@H]1C[C@H]1C(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001349896245 875440197 /nfs/dbraw/zinc/44/01/97/875440197.db2.gz MRADMGULSPPIPN-DGCLKSJQSA-N 1 0 318.377 1.941 20 5 DDBDRO C[N@@H+]1CC[C@H](CC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001352216036 876649811 /nfs/dbraw/zinc/64/98/11/876649811.db2.gz GNLJMOFSEWSNBC-GFCCVEGCSA-N 1 0 303.362 1.821 20 5 DDBDRO Nc1ncc(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC001300131227 876970894 /nfs/dbraw/zinc/97/08/94/876970894.db2.gz ODWSCNNCXSVDSC-VXGBXAGGSA-N 1 0 319.365 1.319 20 5 DDBDRO O=[N+]([O-])c1cc([N+](=O)[O-])c(O[C@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001218284129 877444914 /nfs/dbraw/zinc/44/49/14/877444914.db2.gz USSFGEBFYVBUKC-QMMMGPOBSA-N 1 0 312.238 1.542 20 5 DDBDRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC001356532337 879091571 /nfs/dbraw/zinc/09/15/71/879091571.db2.gz JMIVGQNUJOKIOU-SUNKGSAMSA-N 1 0 322.365 1.413 20 5 DDBDRO COC(=O)c1c(COC[C@H]2CN(C)CCO2)cccc1[N+](=O)[O-] ZINC001223296149 880911650 /nfs/dbraw/zinc/91/16/50/880911650.db2.gz YFHAKBRSCWWWCG-GFCCVEGCSA-N 1 0 324.333 1.229 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)OCc1ncc2ccccc2n1 ZINC001223793132 881100027 /nfs/dbraw/zinc/10/00/27/881100027.db2.gz FDBBTEOCQJPIMF-CYBMUJFWSA-N 1 0 304.370 1.130 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc2[nH]nc(Cl)c2c1 ZINC001231121780 885256527 /nfs/dbraw/zinc/25/65/27/885256527.db2.gz AAVGRGUEOYNHFP-SECBINFHSA-N 1 0 312.777 1.579 20 5 DDBDRO CSc1cccc(F)c1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001234243171 887783497 /nfs/dbraw/zinc/78/34/97/887783497.db2.gz NVIBNHYHXKKEAT-SNVBAGLBSA-N 1 0 302.391 1.910 20 5 DDBDRO CN(CCCNC(=O)c1cocn1)Cc1csc([N+](=O)[O-])c1 ZINC001235714797 888907350 /nfs/dbraw/zinc/90/73/50/888907350.db2.gz BKXYKMWZWAKSIH-UHFFFAOYSA-N 1 0 324.362 1.896 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC(N3C[C@@H]4C[NH2+]C[C@H]43)CC2)cc1 ZINC001246922195 892988470 /nfs/dbraw/zinc/98/84/70/892988470.db2.gz UTQRHQJNZPOJKC-BLLLJJGKSA-N 1 0 302.378 1.467 20 5 DDBDRO C[NH+]1CCC(N)(c2nc(-c3ncc(F)cc3[N+](=O)[O-])no2)CC1 ZINC001249126982 893833987 /nfs/dbraw/zinc/83/39/87/893833987.db2.gz JYDHVDOTBVKFQB-UHFFFAOYSA-N 1 0 322.300 1.059 20 5 DDBDRO COCC[NH+]1CCN([C@@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001254552504 896499023 /nfs/dbraw/zinc/49/90/23/896499023.db2.gz MROFGEURVPJOSU-AWEZNQCLSA-N 1 0 307.394 1.790 20 5 DDBDRO CC(C)C(=O)N1CC[C@H]([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254586604 896517441 /nfs/dbraw/zinc/51/74/41/896517441.db2.gz QUOWUTRIHPUMSY-LSDHHAIUSA-N 1 0 317.389 1.909 20 5 DDBDRO C[N@H+](C1CN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1)[C@H]1CCOC1 ZINC001254604616 896528762 /nfs/dbraw/zinc/52/87/62/896528762.db2.gz WWFNXFGEJQDQEA-JKSUJKDBSA-N 1 0 317.389 1.467 20 5 DDBDRO COC(=O)[C@@H]1C[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC12CC2 ZINC001254611169 896533332 /nfs/dbraw/zinc/53/33/32/896533332.db2.gz WPLVLYLUIDFOBV-GJZGRUSLSA-N 1 0 316.357 1.947 20 5 DDBDRO C[C@H]1C[NH+](CCc2nnc(-c3ccc([N+](=O)[O-])o3)o2)C[C@H](C)O1 ZINC001258013264 898017084 /nfs/dbraw/zinc/01/70/84/898017084.db2.gz VFTBJYHQHSJAHQ-UWVGGRQHSA-N 1 0 322.321 1.890 20 5 DDBDRO CCN(C(=O)CCOc1ccccc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC001262047131 899912722 /nfs/dbraw/zinc/91/27/22/899912722.db2.gz IMZATCQYZGNPMF-LBPRGKRZSA-N 1 0 307.350 1.574 20 5 DDBDRO C[C@@H](NC(=O)N[C@H]1C[NH2+]CC1(C)C)c1ccccc1[N+](=O)[O-] ZINC001262589563 900265288 /nfs/dbraw/zinc/26/52/88/900265288.db2.gz LTMPUPGURUFRNU-MFKMUULPSA-N 1 0 306.366 1.953 20 5 DDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC001262725516 900337134 /nfs/dbraw/zinc/33/71/34/900337134.db2.gz YWPUOKDYXNPLGK-PSOPSSQASA-N 1 0 318.377 1.707 20 5 DDBDRO O=C(COc1cccc([N+](=O)[O-])c1)NC[C@@H]1CCCCC[NH2+]1 ZINC001263250867 900547340 /nfs/dbraw/zinc/54/73/40/900547340.db2.gz SUAFCYABVSSVGB-LBPRGKRZSA-N 1 0 307.350 1.622 20 5 DDBDRO CCN(C(=O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]C1 ZINC001263333697 900578508 /nfs/dbraw/zinc/57/85/08/900578508.db2.gz RBHJABXYYVSPSB-CYBMUJFWSA-N 1 0 307.350 1.574 20 5 DDBDRO C[N@@H+](C/C=C\c1ccccc1)CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001264985077 901394019 /nfs/dbraw/zinc/39/40/19/901394019.db2.gz LUJKBWIHTWSMBL-PLHDSQEVSA-N 1 0 317.389 1.803 20 5 DDBDRO COCCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001265525850 902094115 /nfs/dbraw/zinc/09/41/15/902094115.db2.gz LMYTZZHBISWSEB-BETUJISGSA-N 1 0 307.350 1.368 20 5 DDBDRO C[C@@H]1CC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@@H]1CO ZINC000249002299 282126017 /nfs/dbraw/zinc/12/60/17/282126017.db2.gz YYGXMRRHQPYISJ-YRGRVCCFSA-N 1 0 310.350 1.037 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@H](O)C[C@H](C)C1 ZINC000452072221 231290385 /nfs/dbraw/zinc/29/03/85/231290385.db2.gz WIVAFEZXICPFTG-SMDDNHRTSA-N 1 0 321.377 1.935 20 5 DDBDRO Cc1ccc(C(=O)NC[C@@H]2CCCC[N@@H+]2CCO)cc1[N+](=O)[O-] ZINC000452363982 231361934 /nfs/dbraw/zinc/36/19/34/231361934.db2.gz ADAOOBYUIQBQFM-AWEZNQCLSA-N 1 0 321.377 1.480 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000453343484 231469980 /nfs/dbraw/zinc/46/99/80/231469980.db2.gz NMLMOYRBDSWCQH-BMFZPTHFSA-N 1 0 319.405 1.979 20 5 DDBDRO COC[C@H](C)OC[C@H](O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000278215835 214027595 /nfs/dbraw/zinc/02/75/95/214027595.db2.gz DMUSHDAZGROOJD-SLEUVZQESA-N 1 0 312.366 1.658 20 5 DDBDRO COC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)[C@H]1CCCO1 ZINC000279112014 214645459 /nfs/dbraw/zinc/64/54/59/214645459.db2.gz SPXAXMGJOXVLEO-UKRRQHHQSA-N 1 0 310.350 1.887 20 5 DDBDRO Cc1nn(C)c(N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000488736629 282270842 /nfs/dbraw/zinc/27/08/42/282270842.db2.gz VIZKZPOXXSEUNP-NQBHXWOUSA-N 1 0 307.398 1.803 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000451629640 529797861 /nfs/dbraw/zinc/79/78/61/529797861.db2.gz KPBSYVVUHFRNKH-DOMZBBRYSA-N 1 0 318.377 1.559 20 5 DDBDRO C[NH+]1CCN(CCNc2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC000278182320 214008692 /nfs/dbraw/zinc/00/86/92/214008692.db2.gz DCYASOCEKYVXSO-UHFFFAOYSA-N 1 0 305.382 1.222 20 5 DDBDRO C[N@H+](CCCCNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)C1CC1 ZINC000457169879 529883902 /nfs/dbraw/zinc/88/39/02/529883902.db2.gz PWKNCEJLTVIALB-UHFFFAOYSA-N 1 0 308.338 1.300 20 5 DDBDRO CN(CC[N@H+](C)C1CC1)c1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000302250298 529903316 /nfs/dbraw/zinc/90/33/16/529903316.db2.gz MNNBAYIGOCGVND-UHFFFAOYSA-N 1 0 317.349 1.774 20 5 DDBDRO CN(C[C@@H]1CCC[N@H+](C)C1)c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000301998368 529949046 /nfs/dbraw/zinc/94/90/46/529949046.db2.gz PIFMNFHDUCOYAZ-LLVKDONJSA-N 1 0 304.354 1.416 20 5 DDBDRO C[NH+](C)[C@@H]1CCCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000181701170 199341197 /nfs/dbraw/zinc/34/11/97/199341197.db2.gz KUGGJRGCWGRGGD-KGLIPLIRSA-N 1 0 323.393 1.361 20 5 DDBDRO C[C@@H](NC(=O)COc1ccccc1[N+](=O)[O-])C1=CC[N@H+](C)CC1 ZINC000272648482 210052655 /nfs/dbraw/zinc/05/26/55/210052655.db2.gz DPXPOFBMXMMLRL-GFCCVEGCSA-N 1 0 319.361 1.740 20 5 DDBDRO C[C@H](CN1CCOCC1)[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000279739388 215105842 /nfs/dbraw/zinc/10/58/42/215105842.db2.gz OOTJFTHMYNRQMO-CQSZACIVSA-N 1 0 323.393 1.626 20 5 DDBDRO CC1(C)C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000279755243 215118887 /nfs/dbraw/zinc/11/88/87/215118887.db2.gz LUQYLYLCXHMVLE-SMDDNHRTSA-N 1 0 310.350 1.037 20 5 DDBDRO [NH3+]CC[C@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000070170370 190866375 /nfs/dbraw/zinc/86/63/75/190866375.db2.gz ZOAUTJDCKUYDKJ-LLVKDONJSA-N 1 0 313.379 1.344 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CNC(C)(C)C[NH+](C)C ZINC000459552633 233311648 /nfs/dbraw/zinc/31/16/48/233311648.db2.gz WJYHTKYSJCGHOF-UHFFFAOYSA-N 1 0 308.382 1.772 20 5 DDBDRO Cc1cc(C(=O)N2CCN(CC[NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000171881049 198000190 /nfs/dbraw/zinc/00/01/90/198000190.db2.gz FNITUUCJIDGUGA-UHFFFAOYSA-N 1 0 320.393 1.223 20 5 DDBDRO CCNC(=O)C1(C[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)CCC1 ZINC000277163948 213338374 /nfs/dbraw/zinc/33/83/74/213338374.db2.gz HERUCHYHYQJAGH-UHFFFAOYSA-N 1 0 321.377 1.999 20 5 DDBDRO COc1ccc(C[NH+]2CCC(CNC(C)=O)CC2)cc1[N+](=O)[O-] ZINC000047771787 352510787 /nfs/dbraw/zinc/51/07/87/352510787.db2.gz IIOMJBLOJRPARU-UHFFFAOYSA-N 1 0 321.377 1.952 20 5 DDBDRO CC(C)(CNC(=O)CCn1cc([N+](=O)[O-])cn1)[NH+]1CCCCC1 ZINC000063661899 352918237 /nfs/dbraw/zinc/91/82/37/352918237.db2.gz MNAVUQJSXABQPV-UHFFFAOYSA-N 1 0 323.397 1.562 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC([NH+](C)C)CC2)c1 ZINC000063734620 352922162 /nfs/dbraw/zinc/92/21/62/352922162.db2.gz NLABMVYHXBQTHC-UHFFFAOYSA-N 1 0 307.350 1.770 20 5 DDBDRO CCC[NH+]1CCC(N(C)C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000064310297 352932831 /nfs/dbraw/zinc/93/28/31/352932831.db2.gz AVYZCTHHGXDVEI-UHFFFAOYSA-N 1 0 309.370 1.124 20 5 DDBDRO C[C@H]1CCC[N@H+](CCNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000068121578 353090096 /nfs/dbraw/zinc/09/00/96/353090096.db2.gz RLWHLALOPASPPU-JTQLQIEISA-N 1 0 324.356 1.778 20 5 DDBDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000068935550 353137460 /nfs/dbraw/zinc/13/74/60/353137460.db2.gz FJYBTQVBKAIHCV-CYBMUJFWSA-N 1 0 321.377 1.820 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C)N2CC[NH+](C)CC2)c1 ZINC000173726306 198245254 /nfs/dbraw/zinc/24/52/54/198245254.db2.gz FLUBCNUXTWXZGL-CYBMUJFWSA-N 1 0 320.393 1.269 20 5 DDBDRO COc1cc(C(=O)NC[C@@H](C)C[NH+](C)C)cc([N+](=O)[O-])c1C ZINC000355737284 290989191 /nfs/dbraw/zinc/98/91/91/290989191.db2.gz ZUGLGVODNZJIEQ-SNVBAGLBSA-N 1 0 309.366 1.839 20 5 DDBDRO COc1cc(C(=O)NC[C@H](C)C[NH+](C)C)cc([N+](=O)[O-])c1C ZINC000355737283 290989197 /nfs/dbraw/zinc/98/91/97/290989197.db2.gz ZUGLGVODNZJIEQ-JTQLQIEISA-N 1 0 309.366 1.839 20 5 DDBDRO C[C@@H](O)CN1CCN(C(=O)c2ccc([N+](=O)[O-])s2)C[C@H]1C ZINC000174285418 198314879 /nfs/dbraw/zinc/31/48/79/198314879.db2.gz JODZZDRDUYNTDN-NXEZZACHSA-N 1 0 313.379 1.183 20 5 DDBDRO CC(C)[NH+]1CCC(NC(=O)COc2cccnc2[N+](=O)[O-])CC1 ZINC000074374915 353310464 /nfs/dbraw/zinc/31/04/64/353310464.db2.gz RTOGJCDJQPTKLS-UHFFFAOYSA-N 1 0 322.365 1.358 20 5 DDBDRO CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C[C@@H](C)O ZINC000174590066 198356602 /nfs/dbraw/zinc/35/66/02/198356602.db2.gz LNEYDDZGKZERDH-TZMCWYRMSA-N 1 0 321.377 1.512 20 5 DDBDRO CC[NH+]1CCN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1 ZINC000073092537 191278288 /nfs/dbraw/zinc/27/82/88/191278288.db2.gz FZJDUQOGJLEAMI-UHFFFAOYSA-N 1 0 318.377 1.121 20 5 DDBDRO CCCCNC(=O)[C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174836887 198391704 /nfs/dbraw/zinc/39/17/04/198391704.db2.gz OHJZKUWNNXVGAB-CYBMUJFWSA-N 1 0 323.397 1.420 20 5 DDBDRO Cn1cc(N2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)cn1 ZINC000174900953 198399834 /nfs/dbraw/zinc/39/98/34/198399834.db2.gz BUFCFEWWLGLMJT-UHFFFAOYSA-N 1 0 315.377 1.693 20 5 DDBDRO O=[N+]([O-])c1cc(F)ccc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000078404170 353515099 /nfs/dbraw/zinc/51/50/99/353515099.db2.gz DKAABNREMSEBPA-LBPRGKRZSA-N 1 0 309.341 1.892 20 5 DDBDRO Cc1n[nH]c(C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)c1[N+](=O)[O-] ZINC000081290875 353660682 /nfs/dbraw/zinc/66/06/82/353660682.db2.gz XVCXXIHSRXECRV-GFCCVEGCSA-N 1 0 321.381 1.621 20 5 DDBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+][C@H]1COC[C@H]1O ZINC000601291512 358480356 /nfs/dbraw/zinc/48/03/56/358480356.db2.gz KZIZCKWLRDYPBH-OEYIWLLWSA-N 1 0 306.362 1.655 20 5 DDBDRO Cc1nc(NC2CC[NH+]([C@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000089603554 353776661 /nfs/dbraw/zinc/77/66/61/353776661.db2.gz XMVIPFBJNPDKFN-ZDUSSCGKSA-N 1 0 306.366 1.963 20 5 DDBDRO Cc1cc(N2CCC[N@@H+](CC(=O)N(C)C)CC2)ccc1[N+](=O)[O-] ZINC000092606462 353863345 /nfs/dbraw/zinc/86/33/45/353863345.db2.gz XFZYRSCSQLUAAX-UHFFFAOYSA-N 1 0 320.393 1.504 20 5 DDBDRO C[NH+]1CCC(CCNC(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000183551352 199612357 /nfs/dbraw/zinc/61/23/57/199612357.db2.gz QFOZTJOGVCKVAJ-UHFFFAOYSA-N 1 0 307.354 1.843 20 5 DDBDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000345840118 283002962 /nfs/dbraw/zinc/00/29/62/283002962.db2.gz HBEDFGBYRASSCU-VXGBXAGGSA-N 1 0 307.350 1.608 20 5 DDBDRO O=[N+]([O-])c1cncc(Cl)c1N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000313926122 354482142 /nfs/dbraw/zinc/48/21/42/354482142.db2.gz FNTSXTGUAKULKA-JTQLQIEISA-N 1 0 311.773 1.127 20 5 DDBDRO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000320802885 354529451 /nfs/dbraw/zinc/52/94/51/354529451.db2.gz PTKUDCSIFGVFKT-STQMWFEESA-N 1 0 318.377 1.241 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H]2CCCc3sccc32)c1 ZINC000315531643 354494843 /nfs/dbraw/zinc/49/48/43/354494843.db2.gz HDFADFVJGBEWIW-AAEUAGOBSA-N 1 0 322.390 1.881 20 5 DDBDRO CC[N@@H+]1CCN(c2cc(C(=O)OC)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000317558079 354512108 /nfs/dbraw/zinc/51/21/08/354512108.db2.gz MZEAMPRZEAHDFK-NSHDSACASA-N 1 0 307.350 1.912 20 5 DDBDRO [NH3+]CC[C@H](NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)C(F)F ZINC000584780594 354767227 /nfs/dbraw/zinc/76/72/27/354767227.db2.gz MRHLHNGXLZWPPA-ZETCQYMHSA-N 1 0 317.248 1.036 20 5 DDBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000287394623 219498740 /nfs/dbraw/zinc/49/87/40/219498740.db2.gz YNUFGQIQFMWUOL-GXTWGEPZSA-N 1 0 321.381 1.267 20 5 DDBDRO Cc1ccc(C(=O)N2CC[C@H]([N@@H+]3CC[C@@H](O)C3)C2)cc1[N+](=O)[O-] ZINC000588864064 354944104 /nfs/dbraw/zinc/94/41/04/354944104.db2.gz ZWTFBWLLUHNZFK-UONOGXRCSA-N 1 0 319.361 1.184 20 5 DDBDRO CNC(=O)[C@H]1CCCN1Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589495897 354996082 /nfs/dbraw/zinc/99/60/82/354996082.db2.gz ILWDEOOHBBKFJU-CYBMUJFWSA-N 1 0 321.333 1.092 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)C[C@H]2CCC[C@@H]2O)c1 ZINC000589501226 354996755 /nfs/dbraw/zinc/99/67/55/354996755.db2.gz GMMBCECPNNLSRF-DOMZBBRYSA-N 1 0 322.361 1.974 20 5 DDBDRO C[N@@H+]1C[C@H]2CCN(CC(=O)Nc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000590010573 355040687 /nfs/dbraw/zinc/04/06/87/355040687.db2.gz PDPQJENEMDJWFL-RISCZKNCSA-N 1 0 304.350 1.169 20 5 DDBDRO C[N@@H+]1CCC[C@@H](NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000589836343 355024349 /nfs/dbraw/zinc/02/43/49/355024349.db2.gz AMRCYFFKKBVLJS-SECBINFHSA-N 1 0 313.304 1.626 20 5 DDBDRO O=C(CNc1cccnc1[N+](=O)[O-])NCC[NH+]1CCCCCC1 ZINC000590062606 355045473 /nfs/dbraw/zinc/04/54/73/355045473.db2.gz ZQWQHAROWJHCKW-UHFFFAOYSA-N 1 0 321.381 1.394 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]([NH+](C)C)[C@H]2C)c1 ZINC000590566891 355115082 /nfs/dbraw/zinc/11/50/82/355115082.db2.gz RSCZECFOEAAQNN-ZWNOBZJWSA-N 1 0 307.350 1.768 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([NH+](C)C)[C@@H]1C ZINC000590404319 355086368 /nfs/dbraw/zinc/08/63/68/355086368.db2.gz YOEACOYIIQRNHY-GXFFZTMASA-N 1 0 307.350 1.768 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21 ZINC000590446504 355099587 /nfs/dbraw/zinc/09/95/87/355099587.db2.gz VZFCVKRQXNRXCN-MFKMUULPSA-N 1 0 305.334 1.380 20 5 DDBDRO CCC([NH3+])(CC)CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000236819374 202025532 /nfs/dbraw/zinc/02/55/32/202025532.db2.gz UOUPNRXNBRELLC-UHFFFAOYSA-N 1 0 305.338 1.718 20 5 DDBDRO COCC1([NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])CCOCC1 ZINC000590602263 355128176 /nfs/dbraw/zinc/12/81/76/355128176.db2.gz YVJFJJITPDBEEE-UHFFFAOYSA-N 1 0 323.349 1.319 20 5 DDBDRO Cc1cc(NC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000332595594 235167471 /nfs/dbraw/zinc/16/74/71/235167471.db2.gz BQRZJPBIHIGZMJ-VXGBXAGGSA-N 1 0 304.350 1.976 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCCC[C@H]1C1(O)CC1 ZINC000590969161 355226284 /nfs/dbraw/zinc/22/62/84/355226284.db2.gz RZEYIOYMBFCNRZ-ZDUSSCGKSA-N 1 0 307.350 1.136 20 5 DDBDRO O=C1NCCC[C@@H]1C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000591245262 355271610 /nfs/dbraw/zinc/27/16/10/355271610.db2.gz UVLRVKDQYDKANT-FRRDWIJNSA-N 1 0 321.381 1.391 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000591270572 355274425 /nfs/dbraw/zinc/27/44/25/355274425.db2.gz QWAFSZWIEZYHEI-GWCFXTLKSA-N 1 0 320.349 1.819 20 5 DDBDRO CC1([NH3+])CCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000591347041 355294478 /nfs/dbraw/zinc/29/44/78/355294478.db2.gz FWZKVVPSWUIYBX-UHFFFAOYSA-N 1 0 306.366 1.660 20 5 DDBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000591447821 355313773 /nfs/dbraw/zinc/31/37/73/355313773.db2.gz AGGGTGJPAVALPU-YRGRVCCFSA-N 1 0 318.377 1.606 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000591448703 355314526 /nfs/dbraw/zinc/31/45/26/355314526.db2.gz ONWMHQNRCMECMZ-SWLSCSKDSA-N 1 0 318.377 1.526 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(CN(C)C[C@@H]2CCC[N@@H+]2C)c1 ZINC000591505414 355322249 /nfs/dbraw/zinc/32/22/49/355322249.db2.gz HWYJHODJVYIEAQ-AWEZNQCLSA-N 1 0 321.377 1.907 20 5 DDBDRO C[C@@H]1C[C@@H]1c1ccc(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)o1 ZINC000591729269 355374091 /nfs/dbraw/zinc/37/40/91/355374091.db2.gz YNHLQCAURCNXJE-QKCSRTOESA-N 1 0 320.349 1.658 20 5 DDBDRO Cc1ccnc(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000591767755 355381084 /nfs/dbraw/zinc/38/10/84/355381084.db2.gz FMVHXVHBXWWUKI-OAHLLOKOSA-N 1 0 317.345 1.828 20 5 DDBDRO COc1ccc(CC(=O)N2CC[NH2+][C@@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000592244427 355545941 /nfs/dbraw/zinc/54/59/41/355545941.db2.gz BYWARHGQCYDNBC-CYBMUJFWSA-N 1 0 321.377 1.602 20 5 DDBDRO C[C@H]([NH3+])CNC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000592333593 355562039 /nfs/dbraw/zinc/56/20/39/355562039.db2.gz KYENCCPSUIIWCY-RYUDHWBXSA-N 1 0 320.393 1.908 20 5 DDBDRO C[C@@H]([NH3+])[C@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CCO1 ZINC000592312445 355556885 /nfs/dbraw/zinc/55/68/85/355556885.db2.gz UXPGQJSPUYAKQS-YMTOWFKASA-N 1 0 319.317 1.529 20 5 DDBDRO CC(C)[C@@H](O)CC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000592430843 355581168 /nfs/dbraw/zinc/58/11/68/355581168.db2.gz MAMRRXDODYXATD-AWEZNQCLSA-N 1 0 309.366 1.920 20 5 DDBDRO COC(=O)[C@@H]1C[NH2+]CCCN1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000592435279 355583798 /nfs/dbraw/zinc/58/37/98/355583798.db2.gz SFIHUCMJWXLWNN-SZTZYQKNSA-N 1 0 319.361 1.445 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[NH2+]CC1(C)C ZINC000592473613 355592750 /nfs/dbraw/zinc/59/27/50/355592750.db2.gz GOEHMMZXCCPUHC-UHFFFAOYSA-N 1 0 320.393 1.916 20 5 DDBDRO CC(C)[C@H]1CN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000592485219 355595926 /nfs/dbraw/zinc/59/59/26/355595926.db2.gz RSZDULXWHAJBEI-IUODEOHRSA-N 1 0 320.393 1.852 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1CN(C)CCN1CC[NH2+]CC1 ZINC000592428421 355580105 /nfs/dbraw/zinc/58/01/05/355580105.db2.gz KNTBQUHALOOHSS-UHFFFAOYSA-N 1 0 322.409 1.331 20 5 DDBDRO CC[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C)O ZINC000592431091 355580982 /nfs/dbraw/zinc/58/09/82/355580982.db2.gz ZMRFPCLIEJIXMN-ZWNOBZJWSA-N 1 0 316.379 1.118 20 5 DDBDRO O=C(Cn1ccc([N+](=O)[O-])n1)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592554755 355627269 /nfs/dbraw/zinc/62/72/69/355627269.db2.gz ONZWWINAKOUYRW-STQMWFEESA-N 1 0 321.381 1.030 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H]2CCOC[C@H]2C)c1 ZINC000593027065 355773536 /nfs/dbraw/zinc/77/35/36/355773536.db2.gz JTVRXGGLSDGBCD-ZWNOBZJWSA-N 1 0 308.334 1.896 20 5 DDBDRO CN(CC[NH+]1CCCCC1)C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000593175802 355817747 /nfs/dbraw/zinc/81/77/47/355817747.db2.gz DJWHKRBFNBJMKC-UHFFFAOYSA-N 1 0 307.354 1.361 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)Cc3ccc(F)cc3[N+](=O)[O-])[C@H]2C1 ZINC000593588729 355935097 /nfs/dbraw/zinc/93/50/97/355935097.db2.gz LXBKQCNUTCIOFL-ABAIWWIYSA-N 1 0 321.352 1.829 20 5 DDBDRO O=C1CCCN1CC[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000593683575 355966200 /nfs/dbraw/zinc/96/62/00/355966200.db2.gz VLZOKJYKNTYLMO-UHFFFAOYSA-N 1 0 321.333 1.078 20 5 DDBDRO CC[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCCCO1 ZINC000594045719 356098117 /nfs/dbraw/zinc/09/81/17/356098117.db2.gz YWTUVZCODHOIRH-IHRRRGAJSA-N 1 0 312.370 1.090 20 5 DDBDRO Cc1nn(C)c(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000594200414 356138284 /nfs/dbraw/zinc/13/82/84/356138284.db2.gz LVXPZTJKPOFQEM-NEPJUHHUSA-N 1 0 321.381 1.383 20 5 DDBDRO C[C@@H]([NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000177347389 198708322 /nfs/dbraw/zinc/70/83/22/198708322.db2.gz YHLJZEPYDFZOBZ-SNVBAGLBSA-N 1 0 313.379 1.261 20 5 DDBDRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000594418784 356204188 /nfs/dbraw/zinc/20/41/88/356204188.db2.gz LAWMUTVBSARCJC-NWDGAFQWSA-N 1 0 320.349 1.442 20 5 DDBDRO O=[N+]([O-])c1ccccc1OCc1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000594655762 356276721 /nfs/dbraw/zinc/27/67/21/356276721.db2.gz KUCSFIUHDDSVJY-GFCCVEGCSA-N 1 0 303.322 1.690 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC[C@]1(O)CCOC1 ZINC000595048172 356376539 /nfs/dbraw/zinc/37/65/39/356376539.db2.gz VYDHPBPMIUOXEH-NHYWBVRUSA-N 1 0 310.350 1.796 20 5 DDBDRO CCN(C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)[C@H]1CC[N@H+](C)C1 ZINC000595102949 356382823 /nfs/dbraw/zinc/38/28/23/356382823.db2.gz KSLSSVLEDBGOJJ-ZDUSSCGKSA-N 1 0 320.349 1.086 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC2CC1(C[NH3+])C2 ZINC000595119010 356385226 /nfs/dbraw/zinc/38/52/26/356385226.db2.gz YBVDXPQSEAHVPX-UHFFFAOYSA-N 1 0 311.363 1.015 20 5 DDBDRO Cc1cc(S(=O)(=O)N2CC3CC2(C[NH3+])C3)ccc1[N+](=O)[O-] ZINC000595118207 356385586 /nfs/dbraw/zinc/38/55/86/356385586.db2.gz LIAGBYWUTRXYBC-UHFFFAOYSA-N 1 0 311.363 1.015 20 5 DDBDRO Cc1noc(CN2CC[N@H+](C3CCOCC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000595480449 356510260 /nfs/dbraw/zinc/51/02/60/356510260.db2.gz KMVALUJLMYWVBN-LLVKDONJSA-N 1 0 324.381 1.576 20 5 DDBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@H](Cn3ccnn3)C2)c1 ZINC000595608478 356575869 /nfs/dbraw/zinc/57/58/69/356575869.db2.gz QVHLHURTPITNGN-ZDUSSCGKSA-N 1 0 317.349 1.587 20 5 DDBDRO NC(=O)c1ccc(C[N@@H+]2CCC[C@](O)(C3CC3)C2)c([N+](=O)[O-])c1 ZINC000595751426 356635716 /nfs/dbraw/zinc/63/57/16/356635716.db2.gz QGXHRZNKKRZAFU-MRXNPFEDSA-N 1 0 319.361 1.431 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@H](CCF)C2)c1 ZINC000595756851 356638263 /nfs/dbraw/zinc/63/82/63/356638263.db2.gz XXSCJCMIZZNOBZ-DGCLKSJQSA-N 1 0 300.334 1.224 20 5 DDBDRO C[C@@]12COC[C@@H]1C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C2 ZINC000595761677 356642273 /nfs/dbraw/zinc/64/22/73/356642273.db2.gz ZBHXHELHKJDLTN-SWLSCSKDSA-N 1 0 305.334 1.162 20 5 DDBDRO COC(=O)[C@H]1C[C@@H]([N@H+](C)CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000595847558 356676006 /nfs/dbraw/zinc/67/60/06/356676006.db2.gz GWXDRDMSNXIELO-BJHJDKERSA-N 1 0 308.334 1.857 20 5 DDBDRO CN(C(=O)C[N@@H+]1CC[C@H]2COC[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000595829516 356667234 /nfs/dbraw/zinc/66/72/34/356667234.db2.gz IGDDJANBBURVBU-STQMWFEESA-N 1 0 319.361 1.526 20 5 DDBDRO COc1cc(CCNC(=O)[C@H]2C[C@H]([NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000595922775 356705568 /nfs/dbraw/zinc/70/55/68/356705568.db2.gz KKIGFFDUZXFZMV-XYPYZODXSA-N 1 0 323.349 1.008 20 5 DDBDRO C[NH2+]C[C@H](C)NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000595983458 356735238 /nfs/dbraw/zinc/73/52/38/356735238.db2.gz OKCYGUPEMVTNFC-VIFPVBQESA-N 1 0 315.757 1.741 20 5 DDBDRO O=C(CCOc1ccccc1[N+](=O)[O-])NCC12CC(C1)C[NH2+]2 ZINC000595986625 356736649 /nfs/dbraw/zinc/73/66/49/356736649.db2.gz IZVAGDAZYOCLFS-UHFFFAOYSA-N 1 0 305.334 1.232 20 5 DDBDRO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595937151 356712474 /nfs/dbraw/zinc/71/24/74/356712474.db2.gz RXWBZJRTVXHKDF-LLVKDONJSA-N 1 0 307.354 1.170 20 5 DDBDRO [NH3+]C[C@H]1OCC[C@@H]1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000595938559 356713579 /nfs/dbraw/zinc/71/35/79/356713579.db2.gz YQMPHEUEPUICOK-LSDHHAIUSA-N 1 0 321.377 1.398 20 5 DDBDRO Cc1cc(S(=O)(=O)N(C)C2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000237125498 202161234 /nfs/dbraw/zinc/16/12/34/202161234.db2.gz GAULEYQFJQGPOK-UHFFFAOYSA-N 1 0 313.379 1.276 20 5 DDBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[NH2+]C2)c(F)c1N1CCOCC1 ZINC000596014560 356746727 /nfs/dbraw/zinc/74/67/27/356746727.db2.gz QNXRKZIVYSVXFS-JTQLQIEISA-N 1 0 310.329 1.344 20 5 DDBDRO CC1(C)[C@H](C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1(F)F ZINC000596066034 356759435 /nfs/dbraw/zinc/75/94/35/356759435.db2.gz NWFJRFXQFZIAPL-UWVGGRQHSA-N 1 0 304.297 1.033 20 5 DDBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCC12CC(C1)C[NH2+]2 ZINC000596108933 356775166 /nfs/dbraw/zinc/77/51/66/356775166.db2.gz QOFABQBAZVRNBW-FZWSLVFFSA-N 1 0 318.377 1.654 20 5 DDBDRO C[C@H](CCNC(=O)NCCc1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000596187507 356806136 /nfs/dbraw/zinc/80/61/36/356806136.db2.gz PAKMDQBCLSSMDE-GFCCVEGCSA-N 1 0 308.382 1.777 20 5 DDBDRO CCN(C(=O)NCc1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C)C1 ZINC000596209674 356815721 /nfs/dbraw/zinc/81/57/21/356815721.db2.gz BAZICVRZUKBSFR-CQSZACIVSA-N 1 0 306.366 1.830 20 5 DDBDRO C[C@@H](CCNC(=O)NCCc1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000596419581 356873752 /nfs/dbraw/zinc/87/37/52/356873752.db2.gz VABHKEVPVHLECV-LBPRGKRZSA-N 1 0 308.382 1.777 20 5 DDBDRO C[NH2+]C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C1 ZINC000237197787 202187473 /nfs/dbraw/zinc/18/74/73/202187473.db2.gz YORIYEMWPXGARX-LBPRGKRZSA-N 1 0 320.393 1.732 20 5 DDBDRO CC(C)(C)[N@@H+]1CC[C@@H](Nc2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000596336604 356860244 /nfs/dbraw/zinc/86/02/44/356860244.db2.gz QOKRCLBIWHKDKU-SECBINFHSA-N 1 0 307.354 1.373 20 5 DDBDRO C[NH2+]C(C)(C)CNC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597100483 357060915 /nfs/dbraw/zinc/06/09/15/357060915.db2.gz JJWDWTNMHGZWFK-UHFFFAOYSA-N 1 0 315.761 1.950 20 5 DDBDRO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3cnn4c3CCC4)CC2)n1 ZINC000597117138 357065760 /nfs/dbraw/zinc/06/57/60/357065760.db2.gz IWMNVXRBBFMTJL-UHFFFAOYSA-N 1 0 316.365 1.771 20 5 DDBDRO C[C@@H](C[NH3+])NC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1 ZINC000276854782 213135388 /nfs/dbraw/zinc/13/53/88/213135388.db2.gz ALHFLXGYQDYVMA-LBPRGKRZSA-N 1 0 320.393 1.908 20 5 DDBDRO COc1cc(C(=O)N2CC[C@H]([NH+](C)C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000597700339 357291377 /nfs/dbraw/zinc/29/13/77/357291377.db2.gz MTGLQSPXQZXOIP-JQWIXIFHSA-N 1 0 307.350 1.768 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC(C[NH+](C)C)C1 ZINC000597706728 357294743 /nfs/dbraw/zinc/29/47/43/357294743.db2.gz YWEPLCVHFUFRIR-UHFFFAOYSA-N 1 0 307.350 1.627 20 5 DDBDRO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000597619969 357258462 /nfs/dbraw/zinc/25/84/62/357258462.db2.gz LKFQDLFVHPJEJV-LBPRGKRZSA-N 1 0 322.365 1.250 20 5 DDBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H](CO)C[NH+](C)C ZINC000597654551 357270106 /nfs/dbraw/zinc/27/01/06/357270106.db2.gz TYXUCIHDGMYHRY-JTQLQIEISA-N 1 0 315.757 1.209 20 5 DDBDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000597858577 357361285 /nfs/dbraw/zinc/36/12/85/357361285.db2.gz NOXNVAOGPGTAPD-GFCCVEGCSA-N 1 0 320.393 1.996 20 5 DDBDRO C[C@H](CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)[NH+](C)C ZINC000597997152 357412330 /nfs/dbraw/zinc/41/23/30/357412330.db2.gz MHJPMMUAMSZYTA-SNVBAGLBSA-N 1 0 323.349 1.436 20 5 DDBDRO CSc1cccc(C(=O)N(C)CC2C[NH+](C)C2)c1[N+](=O)[O-] ZINC000598161272 357478777 /nfs/dbraw/zinc/47/87/77/357478777.db2.gz PHZZQNCVBPOHQM-UHFFFAOYSA-N 1 0 309.391 1.950 20 5 DDBDRO [NH3+][C@@]12CCC[C@@H]1CN(C(=O)c1cc3c(cc1[N+](=O)[O-])OCO3)C2 ZINC000598668964 357678466 /nfs/dbraw/zinc/67/84/66/357678466.db2.gz DQWIJHICBUYOTR-RFAUZJTJSA-N 1 0 319.317 1.277 20 5 DDBDRO CCOc1ccc(C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)cc1[N+](=O)[O-] ZINC000598670573 357678950 /nfs/dbraw/zinc/67/89/50/357678950.db2.gz UWDMKZMOPITKKZ-WBMJQRKESA-N 1 0 319.361 1.947 20 5 DDBDRO CCOc1ccc(C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)cc1[N+](=O)[O-] ZINC000598670572 357679177 /nfs/dbraw/zinc/67/91/77/357679177.db2.gz UWDMKZMOPITKKZ-MLGOLLRUSA-N 1 0 319.361 1.947 20 5 DDBDRO Cc1ccc(S(=O)(=O)N[C@@H](C)CCC[NH3+])c(C)c1[N+](=O)[O-] ZINC000598713943 357700825 /nfs/dbraw/zinc/70/08/25/357700825.db2.gz FEHUFZBWQCNYTR-JTQLQIEISA-N 1 0 315.395 1.617 20 5 DDBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCN1CC[C@@H](O)C1 ZINC000599010648 357793645 /nfs/dbraw/zinc/79/36/45/357793645.db2.gz UBESDLMWCICDCP-LRFDDAOPSA-N 1 0 305.378 1.654 20 5 DDBDRO C[C@@H](CNc1ccc2cnccc2c1[N+](=O)[O-])S(N)(=O)=O ZINC000599064448 357805884 /nfs/dbraw/zinc/80/58/84/357805884.db2.gz MJBCMLWFLCLZNN-QMMMGPOBSA-N 1 0 310.335 1.232 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H]1COCCN1C ZINC000599081686 357808959 /nfs/dbraw/zinc/80/89/59/357808959.db2.gz UFEMJGUYRREWOU-YPMHNXCESA-N 1 0 309.366 1.585 20 5 DDBDRO CCS(=O)(=O)C1CN(c2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000599082474 357809619 /nfs/dbraw/zinc/80/96/19/357809619.db2.gz CUQDAHCLVSOJJE-UHFFFAOYSA-N 1 0 321.358 1.766 20 5 DDBDRO C[C@@H]1CC[C@@H](NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C[NH2+]1 ZINC000599102896 357816184 /nfs/dbraw/zinc/81/61/84/357816184.db2.gz GTTNTDDVZAYXGU-ZYHUDNBSSA-N 1 0 313.379 1.155 20 5 DDBDRO Cc1cc(C)c(S(=O)(=O)N[C@@H]2CC[NH2+][C@H]2C)cc1[N+](=O)[O-] ZINC000599111168 357819213 /nfs/dbraw/zinc/81/92/13/357819213.db2.gz FLJCCBHJIOJEMA-WDEREUQCSA-N 1 0 313.379 1.240 20 5 DDBDRO CC1([NH+]2CCOCC2)CCN(c2cccnc2[N+](=O)[O-])CC1 ZINC000599160625 357833867 /nfs/dbraw/zinc/83/38/67/357833867.db2.gz PDJNODMNJFVZOP-UHFFFAOYSA-N 1 0 306.366 1.681 20 5 DDBDRO O=C(CC[N@@H+]1CCc2nc[nH]c2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000599424544 357929917 /nfs/dbraw/zinc/92/99/17/357929917.db2.gz WJJMBQMWFREZRB-UHFFFAOYSA-N 1 0 315.333 1.705 20 5 DDBDRO Cc1noc(CN2CCC([NH+]3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000599472248 357948728 /nfs/dbraw/zinc/94/87/28/357948728.db2.gz PVJYGTGEGZMDRW-UHFFFAOYSA-N 1 0 310.354 1.188 20 5 DDBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CC1(C)COC1 ZINC000599571293 357979819 /nfs/dbraw/zinc/97/98/19/357979819.db2.gz BEEBKGXTTIDNMO-UHFFFAOYSA-N 1 0 307.350 1.892 20 5 DDBDRO COC(=O)C[C@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)C1CCCCC1 ZINC000347958504 283306615 /nfs/dbraw/zinc/30/66/15/283306615.db2.gz LBQCWOPVSOTSJH-LBPRGKRZSA-N 1 0 324.381 1.930 20 5 DDBDRO C[C@@H]1CC(F)(F)CC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000599623363 357996405 /nfs/dbraw/zinc/99/64/05/357996405.db2.gz OXUUFODZMDMABX-KOLCDFICSA-N 1 0 304.297 1.272 20 5 DDBDRO Cc1ccc([C@@H](C)NC(=O)NC[C@@H]2COCC[NH2+]2)cc1[N+](=O)[O-] ZINC000599920069 358080863 /nfs/dbraw/zinc/08/08/63/358080863.db2.gz HAWOOZFZWNTQMA-DGCLKSJQSA-N 1 0 322.365 1.252 20 5 DDBDRO Cc1ccc([C@H](C)NC(=O)NCCOCCC[NH3+])cc1[N+](=O)[O-] ZINC000599921379 358081445 /nfs/dbraw/zinc/08/14/45/358081445.db2.gz RIADOGRJFBUHRD-LBPRGKRZSA-N 1 0 324.381 1.629 20 5 DDBDRO C[NH2+]C[C@H](C)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000237302404 202224098 /nfs/dbraw/zinc/22/40/98/202224098.db2.gz TYOLDUVNKWAYJL-LBPRGKRZSA-N 1 0 306.366 1.099 20 5 DDBDRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000180531146 199171829 /nfs/dbraw/zinc/17/18/29/199171829.db2.gz KYMQVRDPRBGTDJ-SNVBAGLBSA-N 1 0 307.354 1.176 20 5 DDBDRO Cn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)n1 ZINC000600474012 358234948 /nfs/dbraw/zinc/23/49/48/358234948.db2.gz WCKNKPKIEPYOEG-NSHDSACASA-N 1 0 307.354 1.075 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000600536522 358250436 /nfs/dbraw/zinc/25/04/36/358250436.db2.gz YKIXVSXAOKRTAY-GFCCVEGCSA-N 1 0 307.350 1.008 20 5 DDBDRO CC[C@@H]1[NH2+]CC[C@H]1NCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000600677182 358280563 /nfs/dbraw/zinc/28/05/63/358280563.db2.gz BZZQMPXODLRORA-NWDGAFQWSA-N 1 0 307.350 1.596 20 5 DDBDRO CC1(C)C[C@@H]([NH2+]C[C@@H]2COCCN2)c2cc([N+](=O)[O-])ccc21 ZINC000600710191 358290723 /nfs/dbraw/zinc/29/07/23/358290723.db2.gz MOLYBSQQGQYEOI-IAQYHMDHSA-N 1 0 305.378 1.895 20 5 DDBDRO CC(C)[C@@H]1C[NH2+]CCN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000600714200 358291805 /nfs/dbraw/zinc/29/18/05/358291805.db2.gz KEBJJMHVRBRURL-HNNXBMFYSA-N 1 0 320.393 1.853 20 5 DDBDRO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CC[C@@H](C[NH+](C)C)C1 ZINC000601116540 358409191 /nfs/dbraw/zinc/40/91/91/358409191.db2.gz MWOJRHMVIRXEQL-QMMMGPOBSA-N 1 0 321.303 1.735 20 5 DDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC(C[NH+](C)C)C1 ZINC000601423765 358546839 /nfs/dbraw/zinc/54/68/39/358546839.db2.gz KYINIDKMMFYMPE-UHFFFAOYSA-N 1 0 313.379 1.085 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000601558668 358600766 /nfs/dbraw/zinc/60/07/66/358600766.db2.gz RLWQDFVGBSQJAC-WFASDCNBSA-N 1 0 319.361 1.574 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H]1CCC[C@H]1CCO ZINC000348155286 283393938 /nfs/dbraw/zinc/39/39/38/283393938.db2.gz BYFQUVZCXWMXOM-GXTWGEPZSA-N 1 0 321.377 1.982 20 5 DDBDRO COC[C@]1(C(=O)NCc2ccc([N+](=O)[O-])cc2)CCCC[NH2+]1 ZINC000602441866 358979168 /nfs/dbraw/zinc/97/91/68/358979168.db2.gz ZHZRRGPRAAKEDN-HNNXBMFYSA-N 1 0 307.350 1.370 20 5 DDBDRO CCOc1ccc(C(=O)N[C@@H]2CC[NH2+][C@H]2CC)cc1[N+](=O)[O-] ZINC000602545244 359037545 /nfs/dbraw/zinc/03/75/45/359037545.db2.gz OMDMOTSIQZVWIZ-NWDGAFQWSA-N 1 0 307.350 1.864 20 5 DDBDRO CO[C@@]1(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)CCOC1 ZINC000602472612 359001439 /nfs/dbraw/zinc/00/14/39/359001439.db2.gz JBTCOSOISMCYIR-SWLSCSKDSA-N 1 0 322.365 1.282 20 5 DDBDRO Cn1cc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c([N+](=O)[O-])n1 ZINC000602484129 359009768 /nfs/dbraw/zinc/00/97/68/359009768.db2.gz HPIFYHOSWNSOLR-IUODEOHRSA-N 1 0 319.409 1.777 20 5 DDBDRO CC(C)(O)CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602618149 359078007 /nfs/dbraw/zinc/07/80/07/359078007.db2.gz DLTPMCFLTWPZLO-UHFFFAOYSA-N 1 0 308.382 1.709 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@H]3CC[C@@H](O)C3)CC2)cn1 ZINC000602642141 359093283 /nfs/dbraw/zinc/09/32/83/359093283.db2.gz HPBJCMNYXNCTHA-SWLSCSKDSA-N 1 0 320.393 1.709 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCc3cn[nH]c3)CC2)cn1 ZINC000602670203 359115515 /nfs/dbraw/zinc/11/55/15/359115515.db2.gz MEBJWMBJDSQFRN-UHFFFAOYSA-N 1 0 316.365 1.514 20 5 DDBDRO CCOc1cc(C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)c([N+](=O)[O-])cc1OC ZINC000602599177 359063927 /nfs/dbraw/zinc/06/39/27/359063927.db2.gz FYNVGOLSFSIWAC-UWVGGRQHSA-N 1 0 321.333 1.188 20 5 DDBDRO CO[C@H](C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@@H]1CCOC1 ZINC000602707378 359138221 /nfs/dbraw/zinc/13/82/21/359138221.db2.gz UUWCSKDQGLBLTR-QMTHXVAHSA-N 1 0 321.333 1.877 20 5 DDBDRO COC(=O)[C@@H]1CC[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C[C@@H]1C ZINC000602902694 359282721 /nfs/dbraw/zinc/28/27/21/359282721.db2.gz LDEJKGPWSDAHFX-CMPLNLGQSA-N 1 0 310.354 1.231 20 5 DDBDRO C[C@H]1CN(CC[NH2+][C@@](C)(CO)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000602963673 359326052 /nfs/dbraw/zinc/32/60/52/359326052.db2.gz YHHHEXCGIUBFBN-BBRMVZONSA-N 1 0 323.393 1.113 20 5 DDBDRO Cc1nccn1CCC[NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602963507 359326644 /nfs/dbraw/zinc/32/66/44/359326644.db2.gz WZOIEITUECSGHU-INIZCTEOSA-N 1 0 318.377 1.987 20 5 DDBDRO C[C@@](CO)([NH2+]CCN1CCCC1=O)c1cccc([N+](=O)[O-])c1 ZINC000602966112 359330324 /nfs/dbraw/zinc/33/03/24/359330324.db2.gz XHOMTASJTGHQFV-HNNXBMFYSA-N 1 0 307.350 1.014 20 5 DDBDRO COc1cc(Cn2cc([C@H]3CCC[NH2+]C3)nn2)ccc1[N+](=O)[O-] ZINC000603245158 359512064 /nfs/dbraw/zinc/51/20/64/359512064.db2.gz ZPMFHFRBJKCBML-LBPRGKRZSA-N 1 0 317.349 1.710 20 5 DDBDRO Cn1cc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c([N+](=O)[O-])n1 ZINC000603429045 359635093 /nfs/dbraw/zinc/63/50/93/359635093.db2.gz LIJUMOIRINNHBR-CYBMUJFWSA-N 1 0 307.398 1.540 20 5 DDBDRO CSC[C@@H](O)C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000187731577 200150494 /nfs/dbraw/zinc/15/04/94/200150494.db2.gz QIZRKTDRVAKXRA-AWEZNQCLSA-N 1 0 311.407 1.441 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000237533849 202272943 /nfs/dbraw/zinc/27/29/43/202272943.db2.gz UYWDJPZWIXOQGR-CMPLNLGQSA-N 1 0 309.370 1.218 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000604551869 359765648 /nfs/dbraw/zinc/76/56/48/359765648.db2.gz HDFMJWMTPMVFBX-SNVBAGLBSA-N 1 0 306.366 1.758 20 5 DDBDRO C[NH+]1CCC(C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000188535230 200262897 /nfs/dbraw/zinc/26/28/97/200262897.db2.gz HQFVBWFFJLYUOK-UHFFFAOYSA-N 1 0 319.361 1.526 20 5 DDBDRO Cc1cc(OCC(=O)NC2(C[NH+](C)C)CCC2)ccc1[N+](=O)[O-] ZINC000281137221 216104976 /nfs/dbraw/zinc/10/49/76/216104976.db2.gz UTKROVBMKSZCPV-UHFFFAOYSA-N 1 0 321.377 1.883 20 5 DDBDRO C[NH+](C)CCO[C@H]1CCN(c2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000610764403 360531143 /nfs/dbraw/zinc/53/11/43/360531143.db2.gz GXGBJEBBASXECG-NSHDSACASA-N 1 0 314.773 1.800 20 5 DDBDRO CC[N@@H+]1CCCC[C@@H]1CNc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000611525909 360747879 /nfs/dbraw/zinc/74/78/79/360747879.db2.gz OEYUTOBLFRHSGM-CYBMUJFWSA-N 1 0 308.382 1.956 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(N2CCC[C@@H]([NH+]3CCOCC3)CC2)n1 ZINC000565844275 304098177 /nfs/dbraw/zinc/09/81/77/304098177.db2.gz VLIDYNKVMRIXBT-CQSZACIVSA-N 1 0 320.393 1.989 20 5 DDBDRO CNC(=O)[C@]1(C)CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000281357593 216246048 /nfs/dbraw/zinc/24/60/48/216246048.db2.gz ZYHYKALFETVRHJ-OAHLLOKOSA-N 1 0 318.333 1.694 20 5 DDBDRO O=C1N[C@H]2CC[N@@H+](CCOc3ccccc3[N+](=O)[O-])C[C@@H]2CO1 ZINC000281431079 216293678 /nfs/dbraw/zinc/29/36/78/216293678.db2.gz SMIQAPYGFGHROU-NEPJUHHUSA-N 1 0 321.333 1.404 20 5 DDBDRO CN(CC1CC[NH+](C)CC1)C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000193548827 201073505 /nfs/dbraw/zinc/07/35/05/201073505.db2.gz GRIZQPIJYJXPRG-UHFFFAOYSA-N 1 0 308.338 1.109 20 5 DDBDRO Cc1nn(C)c(C(=O)N2CC[NH+](CC(C)C)CC2)c1[N+](=O)[O-] ZINC000194110588 201180118 /nfs/dbraw/zinc/18/01/18/201180118.db2.gz AKIOEZMBEIKKOD-UHFFFAOYSA-N 1 0 309.370 1.051 20 5 DDBDRO Nc1nc(N2CCC[C@@H]([NH+]3CCCC3)CC2)ncc1[N+](=O)[O-] ZINC000150890534 283688143 /nfs/dbraw/zinc/68/81/43/283688143.db2.gz FZCUCCRJWQULHM-LLVKDONJSA-N 1 0 306.370 1.422 20 5 DDBDRO Cc1ccccc1C(C)(C)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000292880057 223289175 /nfs/dbraw/zinc/28/91/75/223289175.db2.gz BZZFSNWKYWGBSD-AWEZNQCLSA-N 1 0 318.377 1.986 20 5 DDBDRO CCC[N@@H+]1CC[C@@H](CNc2cc(N)c([N+](=O)[O-])c(CO)c2)C1 ZINC000613919921 361631674 /nfs/dbraw/zinc/63/16/74/361631674.db2.gz YRUPOGBSJVXKLP-NSHDSACASA-N 1 0 308.382 1.813 20 5 DDBDRO C[N@H+](CCCCCO)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000619077266 363887961 /nfs/dbraw/zinc/88/79/61/363887961.db2.gz JSAYNZLHOCRKIP-UHFFFAOYSA-N 1 0 310.350 1.960 20 5 DDBDRO NC(=O)c1ccc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])cc1 ZINC000348917999 283757600 /nfs/dbraw/zinc/75/76/00/283757600.db2.gz ASWFJMKHBYPWRE-UHFFFAOYSA-N 1 0 314.345 1.659 20 5 DDBDRO C[NH2+][C@@H](C)CNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000261825273 203126604 /nfs/dbraw/zinc/12/66/04/203126604.db2.gz UUHDSSCXYTYHPX-ZETCQYMHSA-N 1 0 316.155 1.695 20 5 DDBDRO C[NH2+][C@@H]1CCN(C(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000262382291 203279529 /nfs/dbraw/zinc/27/95/29/203279529.db2.gz YVLJKNIVQDAVHM-SECBINFHSA-N 1 0 309.322 1.046 20 5 DDBDRO Nc1ccc(C(=O)N[C@@H](C[NH3+])C2CCCCC2)cc1[N+](=O)[O-] ZINC000262613936 203351441 /nfs/dbraw/zinc/35/14/41/203351441.db2.gz ZJEFYAQMPKZHQC-ZDUSSCGKSA-N 1 0 306.366 1.814 20 5 DDBDRO CC(C)(C[NH2+]CCc1ccc([N+](=O)[O-])cc1)S(C)(=O)=O ZINC000093519740 193263228 /nfs/dbraw/zinc/26/32/28/193263228.db2.gz PMGOHMRIUJNNOP-UHFFFAOYSA-N 1 0 300.380 1.550 20 5 DDBDRO COc1cc(OCC(=O)N2CC[NH2+][C@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000262734377 203395410 /nfs/dbraw/zinc/39/54/10/203395410.db2.gz CCEHEYLHJOLBBZ-MNOVXSKESA-N 1 0 323.349 1.191 20 5 DDBDRO COc1cc(C(=O)N[C@@H]2CC[C@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000093990864 193336106 /nfs/dbraw/zinc/33/61/06/193336106.db2.gz GNIZZEIONOBHAQ-NEPJUHHUSA-N 1 0 307.350 1.816 20 5 DDBDRO O=C(COc1cccc([N+](=O)[O-])c1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000264661744 204061368 /nfs/dbraw/zinc/06/13/68/204061368.db2.gz TXHGGMAHZGYSTO-GFCCVEGCSA-N 1 0 319.361 1.574 20 5 DDBDRO C[C@@H](CC[NH+](C)C)NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000264940358 204286547 /nfs/dbraw/zinc/28/65/47/204286547.db2.gz VUTBKEJIPHXJDF-JTQLQIEISA-N 1 0 313.329 1.569 20 5 DDBDRO C[NH+]1CCC(NS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000265161186 204420794 /nfs/dbraw/zinc/42/07/94/204420794.db2.gz WCWHTCMFQGENEE-UHFFFAOYSA-N 1 0 313.379 1.108 20 5 DDBDRO C[C@H](O)C[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)[C@H](C)C1 ZINC000282496765 217041551 /nfs/dbraw/zinc/04/15/51/217041551.db2.gz NAPSMDDDCFBNAH-NEPJUHHUSA-N 1 0 311.357 1.621 20 5 DDBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)c1ncc([N+](=O)[O-])cc1C(N)=O ZINC000266231241 205201758 /nfs/dbraw/zinc/20/17/58/205201758.db2.gz JMOIBSAMUURWQI-NSHDSACASA-N 1 0 321.381 1.399 20 5 DDBDRO CN(C(=O)C[NH2+][C@@H]1CCC[C@]1(C)CO)c1ccc([N+](=O)[O-])cc1 ZINC000351520804 284359564 /nfs/dbraw/zinc/35/95/64/284359564.db2.gz YLIBFNZHBSDXDG-GDBMZVCRSA-N 1 0 321.377 1.698 20 5 DDBDRO COc1cc(N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000266344523 205282014 /nfs/dbraw/zinc/28/20/14/205282014.db2.gz IROOQQWDJBTCCX-NEPJUHHUSA-N 1 0 309.366 1.495 20 5 DDBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000267660627 206202947 /nfs/dbraw/zinc/20/29/47/206202947.db2.gz ZKFPPDTWCDGLCT-ZIAGYGMSSA-N 1 0 323.393 1.281 20 5 DDBDRO COc1cccc(C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000334103049 249215325 /nfs/dbraw/zinc/21/53/25/249215325.db2.gz IAGMSTNGCWECQK-MNOVXSKESA-N 1 0 307.350 1.816 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@H]2C[C@H](O)c2ccco2)c1 ZINC000268213357 206548048 /nfs/dbraw/zinc/54/80/48/206548048.db2.gz AZOSRUCRJISFRS-JSGCOSHPSA-N 1 0 320.349 1.972 20 5 DDBDRO C[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](C)CO ZINC000274125285 211377570 /nfs/dbraw/zinc/37/75/70/211377570.db2.gz XNRVQAJXJBXDSL-RKDXNWHRSA-N 1 0 315.757 1.793 20 5 DDBDRO CC1(C)NC(=O)CC[C@@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000338595170 250047980 /nfs/dbraw/zinc/04/79/80/250047980.db2.gz CDNSZIMJNPJLPG-ZDUSSCGKSA-N 1 0 307.350 1.620 20 5 DDBDRO CC1(C)NC(=O)CC[C@@H]1[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000338595040 250048544 /nfs/dbraw/zinc/04/85/44/250048544.db2.gz COOFVXBHXBWIKD-LBPRGKRZSA-N 1 0 320.349 1.180 20 5 DDBDRO CCOCC[NH+]1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000105830851 194140565 /nfs/dbraw/zinc/14/05/65/194140565.db2.gz HHSFVTQZHSYVPQ-UHFFFAOYSA-N 1 0 307.394 1.791 20 5 DDBDRO Cc1cc(C(=O)NC[C@@](C)(O)CC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000352113110 284794071 /nfs/dbraw/zinc/79/40/71/284794071.db2.gz ZOAUBARFKATSHF-HNNXBMFYSA-N 1 0 309.366 1.336 20 5 DDBDRO C[NH2+]CCNS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000054244489 183930489 /nfs/dbraw/zinc/93/04/89/183930489.db2.gz UBNXXWBKBWURQT-UHFFFAOYSA-N 1 0 307.759 1.054 20 5 DDBDRO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000157649091 197205131 /nfs/dbraw/zinc/20/51/31/197205131.db2.gz VWIVDVULCOCREJ-NEPJUHHUSA-N 1 0 306.366 1.640 20 5 DDBDRO [NH3+]CCC(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000269047629 207196692 /nfs/dbraw/zinc/19/66/92/207196692.db2.gz PDOPFYAQGRCTDI-UHFFFAOYSA-N 1 0 320.271 1.491 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])c(NCCC[N@@H+](C)CCN(C)C)n1 ZINC000341063280 251362919 /nfs/dbraw/zinc/36/29/19/251362919.db2.gz CHSRXSFHPUDSKZ-UHFFFAOYSA-N 1 0 309.414 1.902 20 5 DDBDRO C[NH2+]C[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000063168017 184275641 /nfs/dbraw/zinc/27/56/41/184275641.db2.gz HNMRZJSVBPFUTF-GFCCVEGCSA-N 1 0 313.379 1.357 20 5 DDBDRO COc1cc(C(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)cc([N+](=O)[O-])c1OC ZINC000269179309 207299949 /nfs/dbraw/zinc/29/99/49/207299949.db2.gz COUSUGXPWSNPLD-ONGXEEELSA-N 1 0 323.349 1.421 20 5 DDBDRO C[C@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[NH2+]C1 ZINC000269193560 207313050 /nfs/dbraw/zinc/31/30/50/207313050.db2.gz KYARYOXBDWDNIM-RYUDHWBXSA-N 1 0 307.350 1.478 20 5 DDBDRO CC[C@@H](NC(=O)C[C@@H]1C[NH2+]CCO1)c1cccc([N+](=O)[O-])c1 ZINC000269248346 207385920 /nfs/dbraw/zinc/38/59/20/207385920.db2.gz QZKVRLGGFXEOGG-ZIAGYGMSSA-N 1 0 307.350 1.541 20 5 DDBDRO C[C@H]1CN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC[C@H]1[NH3+] ZINC000269252530 207392717 /nfs/dbraw/zinc/39/27/17/207392717.db2.gz GSAMDSGFPBBEPA-SWLSCSKDSA-N 1 0 320.393 1.983 20 5 DDBDRO COc1cc(N2C[C@H](C)[N@H+](CCO)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000418996552 532958413 /nfs/dbraw/zinc/95/84/13/532958413.db2.gz FJSNLTQUGGGNER-RYUDHWBXSA-N 1 0 309.366 1.495 20 5 DDBDRO C[C@@H]([NH3+])[C@@H](C)NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000449585298 532974644 /nfs/dbraw/zinc/97/46/44/532974644.db2.gz FWYLQIBVOYJDNC-NXEZZACHSA-N 1 0 303.322 1.246 20 5 DDBDRO C[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1N)C1=CC[N@H+](C)CC1 ZINC000272915914 210304177 /nfs/dbraw/zinc/30/41/77/210304177.db2.gz JWRVJVLPGVHNJX-VIFPVBQESA-N 1 0 322.340 1.696 20 5 DDBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC([NH+](C)C)C1 ZINC000158483218 197276647 /nfs/dbraw/zinc/27/66/47/197276647.db2.gz QYFKDPSNUKXXFA-JTQLQIEISA-N 1 0 309.391 1.848 20 5 DDBDRO COC[C@](C)([NH3+])CNc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000271347670 208834599 /nfs/dbraw/zinc/83/45/99/208834599.db2.gz SLHLSTCMLWJCSL-GFCCVEGCSA-N 1 0 305.281 1.972 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)[C@H]1CCC[C@@H]1O ZINC000352660391 285204964 /nfs/dbraw/zinc/20/49/64/285204964.db2.gz NUEHBPXFQUBLAS-AAEUAGOBSA-N 1 0 307.350 1.687 20 5 DDBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000120690920 195217840 /nfs/dbraw/zinc/21/78/40/195217840.db2.gz HMGIBVXCJZTOJJ-DOMZBBRYSA-N 1 0 321.377 1.772 20 5 DDBDRO COC[C@]1(C(=O)OC)CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000295036451 533218648 /nfs/dbraw/zinc/21/86/48/533218648.db2.gz MEHZAOOJSPLJON-HNNXBMFYSA-N 1 0 308.334 1.606 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N(C)CC(C)(C)C[NH3+] ZINC000417184164 533220425 /nfs/dbraw/zinc/22/04/25/533220425.db2.gz QYXPERKMEGZVRO-UHFFFAOYSA-N 1 0 324.381 1.730 20 5 DDBDRO C[C@H]1CSC[C@@H]1[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000352802352 285311598 /nfs/dbraw/zinc/31/15/98/285311598.db2.gz VSHSRXUZPXOAAN-GWCFXTLKSA-N 1 0 321.402 1.825 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000289767386 221212938 /nfs/dbraw/zinc/21/29/38/221212938.db2.gz NFSZWVPBKYCOLL-VXGBXAGGSA-N 1 0 318.377 1.342 20 5 DDBDRO COC[C@@]1(CNC(=O)c2ccc(F)cc2[N+](=O)[O-])CCC[NH2+]1 ZINC000262449777 285324372 /nfs/dbraw/zinc/32/43/72/285324372.db2.gz HQGDANZFYHGHIM-AWEZNQCLSA-N 1 0 311.313 1.232 20 5 DDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000290009680 221377599 /nfs/dbraw/zinc/37/75/99/221377599.db2.gz DRLKZRWATBTBEL-LBPRGKRZSA-N 1 0 318.377 1.639 20 5 DDBDRO [NH3+][C@@H]1CCO[C@H]1C1CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000414796099 224396468 /nfs/dbraw/zinc/39/64/68/224396468.db2.gz XFASSKVHIBTAQZ-OCCSQVGLSA-N 1 0 311.407 1.985 20 5 DDBDRO O=[N+]([O-])c1cc(F)c(NCC2CC[NH+](CCO)CC2)c(F)c1 ZINC000121716054 195333569 /nfs/dbraw/zinc/33/35/69/195333569.db2.gz ZCMAFEMDGGFBQQ-UHFFFAOYSA-N 1 0 315.320 1.989 20 5 DDBDRO Cc1c(CC(=O)N2CCC([NH+](C)C)CC2)cccc1[N+](=O)[O-] ZINC000121879248 195366477 /nfs/dbraw/zinc/36/64/77/195366477.db2.gz PBTVHFWFWMVFHQ-UHFFFAOYSA-N 1 0 305.378 1.998 20 5 DDBDRO COc1ccc(CNC(=O)[C@H]2[NH2+]CCCC2(C)C)cc1[N+](=O)[O-] ZINC000423054247 533645136 /nfs/dbraw/zinc/64/51/36/533645136.db2.gz BOGGTIFCYYEHQU-CQSZACIVSA-N 1 0 321.377 1.998 20 5 DDBDRO CO[C@@H](C[NH3+])CC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000568869307 304317530 /nfs/dbraw/zinc/31/75/30/304317530.db2.gz VWKVCRANVZTVIO-CQSZACIVSA-N 1 0 307.350 1.450 20 5 DDBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H](CO)C1CC1 ZINC000353508995 285777190 /nfs/dbraw/zinc/77/71/90/285777190.db2.gz IAYWGRCPXARUKJ-YPMHNXCESA-N 1 0 321.377 1.920 20 5 DDBDRO C[NH2+][C@@H](C)Cc1noc(-c2cc([N+](=O)[O-])cc3c2OCCO3)n1 ZINC000568984661 304326928 /nfs/dbraw/zinc/32/69/28/304326928.db2.gz PUUSUOOUOSJXPM-QMMMGPOBSA-N 1 0 320.305 1.566 20 5 DDBDRO CC[NH2+]CCCNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000569967304 304388251 /nfs/dbraw/zinc/38/82/51/304388251.db2.gz IUHBUVNVIDMSCE-UHFFFAOYSA-N 1 0 317.349 1.510 20 5 DDBDRO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1F)N1CC[NH+](C)CC1 ZINC000114384890 407567911 /nfs/dbraw/zinc/56/79/11/407567911.db2.gz AFTMOMGFCZQXCR-LLVKDONJSA-N 1 0 324.356 1.100 20 5 DDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000360996862 299788963 /nfs/dbraw/zinc/78/89/63/299788963.db2.gz UMBZFZDLUCEUAM-ZDUSSCGKSA-N 1 0 323.397 1.278 20 5 DDBDRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000570674993 304418789 /nfs/dbraw/zinc/41/87/89/304418789.db2.gz BQPMWTZYVZAXQN-GXSJLCMTSA-N 1 0 321.333 1.571 20 5 DDBDRO CC[NH+](CC)CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000012141634 406835362 /nfs/dbraw/zinc/83/53/62/406835362.db2.gz HCNUMCUZVRGASZ-UHFFFAOYSA-N 1 0 315.395 1.523 20 5 DDBDRO CCSCC[C@H](C)[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000072900680 406886192 /nfs/dbraw/zinc/88/61/92/406886192.db2.gz OCPWBMFZPPXVSR-AAEUAGOBSA-N 1 0 316.427 1.616 20 5 DDBDRO CN(CCC[NH+](C)C)C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000570875481 304426051 /nfs/dbraw/zinc/42/60/51/304426051.db2.gz KNCLHDOSLYYWBA-UHFFFAOYSA-N 1 0 308.382 1.441 20 5 DDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@H]1CCC[NH2+]C1 ZINC000044502571 407025699 /nfs/dbraw/zinc/02/56/99/407025699.db2.gz SGYRVDHXFNRELM-NSHDSACASA-N 1 0 313.379 1.181 20 5 DDBDRO Cc1c(C(=O)N2CCN(CC[NH+](C)C)CC2)cccc1[N+](=O)[O-] ZINC000053304977 407166804 /nfs/dbraw/zinc/16/68/04/407166804.db2.gz LQAQXPZNVACZLF-UHFFFAOYSA-N 1 0 320.393 1.223 20 5 DDBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@]1(O)CCOC1 ZINC000090849825 407172536 /nfs/dbraw/zinc/17/25/36/407172536.db2.gz FTGDFPJYKWDXJL-IAQYHMDHSA-N 1 0 323.349 1.053 20 5 DDBDRO Cc1nn(CCC(=O)NCC(C)(C)[NH+](C)C)c(C)c1[N+](=O)[O-] ZINC000102323058 407321680 /nfs/dbraw/zinc/32/16/80/407321680.db2.gz HQANPBUWDZVXII-UHFFFAOYSA-N 1 0 311.386 1.255 20 5 DDBDRO C[NH+](C)CCNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000122832371 407312070 /nfs/dbraw/zinc/31/20/70/407312070.db2.gz URPVMHBQHVUIFP-UHFFFAOYSA-N 1 0 303.322 1.072 20 5 DDBDRO CC[C@H]1CCN(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000125327219 407385406 /nfs/dbraw/zinc/38/54/06/407385406.db2.gz FSZXQOYOXCVEAQ-JTQLQIEISA-N 1 0 321.333 1.994 20 5 DDBDRO CCCc1n[nH]c(C(=O)N2CCC[N@@H+](CCC)CC2)c1[N+](=O)[O-] ZINC000127023765 407426151 /nfs/dbraw/zinc/42/61/51/407426151.db2.gz KPDVNHHIYNDPOK-UHFFFAOYSA-N 1 0 323.397 1.828 20 5 DDBDRO O=[N+]([O-])c1ccccc1CN1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000178500855 407473814 /nfs/dbraw/zinc/47/38/14/407473814.db2.gz TVOZUXVQIITZGK-AWEZNQCLSA-N 1 0 305.378 1.749 20 5 DDBDRO CC(C)(C)OC(=O)[C@@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000178516420 407477419 /nfs/dbraw/zinc/47/74/19/407477419.db2.gz LZOHREXSTYSDLU-LLVKDONJSA-N 1 0 310.354 1.455 20 5 DDBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000113437909 407502892 /nfs/dbraw/zinc/50/28/92/407502892.db2.gz DKYQLACFAIAUAI-LLVKDONJSA-N 1 0 322.365 1.690 20 5 DDBDRO CC[N@H+](C)CCNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000112926435 407447675 /nfs/dbraw/zinc/44/76/75/407447675.db2.gz QOQZAUXUDWCZJP-UHFFFAOYSA-N 1 0 317.349 1.462 20 5 DDBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2c([N+](=O)[O-])c(C)nn2C)[C@H](C)C1 ZINC000265947307 407521671 /nfs/dbraw/zinc/52/16/71/407521671.db2.gz KAYVJKIEIKPNQH-ZYHUDNBSSA-N 1 0 323.397 1.439 20 5 DDBDRO C[C@H]([NH2+][C@@H](CC(N)=O)C1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000181934236 306701113 /nfs/dbraw/zinc/70/11/13/306701113.db2.gz GRWSKKQOZHZGRM-NHYWBVRUSA-N 1 0 321.377 1.916 20 5 DDBDRO CC[C@@H]1CN(c2ncc(C)cc2[N+](=O)[O-])CC[N@@H+]1C[C@@H](C)O ZINC000266225985 407532953 /nfs/dbraw/zinc/53/29/53/407532953.db2.gz RODHGCRBOYKLJS-CHWSQXEVSA-N 1 0 308.382 1.580 20 5 DDBDRO CC[NH+](CC)CCCNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000114675222 407596464 /nfs/dbraw/zinc/59/64/64/407596464.db2.gz CPEXTLOHERYUKG-UHFFFAOYSA-N 1 0 308.382 1.855 20 5 DDBDRO C[NH2+]C[C@@H]1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000178972772 407680987 /nfs/dbraw/zinc/68/09/87/407680987.db2.gz GOOCAEGFULDVGC-VIFPVBQESA-N 1 0 303.322 1.153 20 5 DDBDRO CCCC[C@@H](C[NH3+])NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000236678353 407749431 /nfs/dbraw/zinc/74/94/31/407749431.db2.gz XIOMIZVZQOSDNZ-QMMMGPOBSA-N 1 0 307.397 1.452 20 5 DDBDRO C[C@]1(C[NH3+])CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000262196944 407762576 /nfs/dbraw/zinc/76/25/76/407762576.db2.gz ZYJDUSAIGYUVPZ-MRXNPFEDSA-N 1 0 318.377 1.980 20 5 DDBDRO CN(CC[N@H+](C)C1CC1)C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000186801141 407771927 /nfs/dbraw/zinc/77/19/27/407771927.db2.gz CZKDZXAVXXFKRF-UHFFFAOYSA-N 1 0 306.366 1.559 20 5 DDBDRO CCC(CC)(C[NH3+])NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000236749531 407768289 /nfs/dbraw/zinc/76/82/89/407768289.db2.gz KMCNHUOMEJQQRT-UHFFFAOYSA-N 1 0 313.329 1.746 20 5 DDBDRO Cc1sc(C(=O)NCC2(O)CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000267215314 407793249 /nfs/dbraw/zinc/79/32/49/407793249.db2.gz ZNXNNSMEGJGQKV-UHFFFAOYSA-N 1 0 313.379 1.151 20 5 DDBDRO C[NH2+]C[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000237210990 407805006 /nfs/dbraw/zinc/80/50/06/407805006.db2.gz CXNCEQWMCIROAZ-VIFPVBQESA-N 1 0 319.408 1.276 20 5 DDBDRO C[C@H]1CN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C[C@H](C)[NH2+]1 ZINC000153518240 407842568 /nfs/dbraw/zinc/84/25/68/407842568.db2.gz QDAWEWRRJCCABT-QWRGUYRKSA-N 1 0 318.377 1.992 20 5 DDBDRO O=C(c1n[nH]cc1[N+](=O)[O-])N1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000153681848 407877079 /nfs/dbraw/zinc/87/70/79/407877079.db2.gz XJZDMMRPJONMJB-LLVKDONJSA-N 1 0 307.354 1.408 20 5 DDBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000268102273 407890516 /nfs/dbraw/zinc/89/05/16/407890516.db2.gz FTHXKLZLDONKFT-BXUZGUMPSA-N 1 0 318.377 1.877 20 5 DDBDRO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262657371 407890674 /nfs/dbraw/zinc/89/06/74/407890674.db2.gz XQHRKXYJUYCACI-ZJUUUORDSA-N 1 0 315.333 1.438 20 5 DDBDRO C[NH+](C)C[C@H]1CCCN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000268128439 407905034 /nfs/dbraw/zinc/90/50/34/407905034.db2.gz LWBLSJZRXUBDTP-CYBMUJFWSA-N 1 0 321.377 1.916 20 5 DDBDRO CC(C)[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)N1CCOCC1 ZINC000180051690 407849726 /nfs/dbraw/zinc/84/97/26/407849726.db2.gz QWIIROJKTONEIE-HNNXBMFYSA-N 1 0 321.377 1.568 20 5 DDBDRO Cc1cc(S(=O)(=O)N[C@H]2CC[NH2+]C[C@H]2C)ccc1[N+](=O)[O-] ZINC000262752912 407917436 /nfs/dbraw/zinc/91/74/36/407917436.db2.gz GYJHYHQWXDAIRO-PWSUYJOCSA-N 1 0 313.379 1.180 20 5 DDBDRO CC(C)[NH+]1CCC(O)(C[NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000268399604 408026836 /nfs/dbraw/zinc/02/68/36/408026836.db2.gz BLZNXLJPONFVJQ-UHFFFAOYSA-N 1 0 313.423 1.981 20 5 DDBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)CN2CCOCC2)cc1[N+](=O)[O-] ZINC000181830957 408043711 /nfs/dbraw/zinc/04/37/11/408043711.db2.gz XGFWDNLRUCQRMJ-DZGCQCFKSA-N 1 0 323.393 1.247 20 5 DDBDRO CC(C)[N@H+](C)CCNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000181887717 408050718 /nfs/dbraw/zinc/05/07/18/408050718.db2.gz YFNKIFIVIJIZHR-UHFFFAOYSA-N 1 0 309.322 1.394 20 5 DDBDRO C[C@H](c1cccc(O)c1)[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000245452278 407986155 /nfs/dbraw/zinc/98/61/55/407986155.db2.gz QFZOFCAXHORIPK-IAQYHMDHSA-N 1 0 320.349 1.551 20 5 DDBDRO Cc1csc([C@@H](C)[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)n1 ZINC000080310833 161652519 /nfs/dbraw/zinc/65/25/19/161652519.db2.gz NQPAVCUZWRVERF-MWLCHTKSSA-N 1 0 311.367 1.268 20 5 DDBDRO Cc1nn(C)c(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000155070573 408120694 /nfs/dbraw/zinc/12/06/94/408120694.db2.gz YGYLVYSKHCQUPR-JTQLQIEISA-N 1 0 311.386 1.343 20 5 DDBDRO C[C@@H]1CCC[C@@](CNC(=O)c2[nH]ncc2[N+](=O)[O-])([NH+](C)C)C1 ZINC000137898992 408162735 /nfs/dbraw/zinc/16/27/35/408162735.db2.gz DDEKFQDNLRUUOJ-QMTHXVAHSA-N 1 0 309.370 1.558 20 5 DDBDRO C[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)CC1CC(O)C1 ZINC000190199364 408188150 /nfs/dbraw/zinc/18/81/50/408188150.db2.gz MAFLANDALMINAM-UHFFFAOYSA-N 1 0 308.334 1.664 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H]([NH3+])C[C@@H]1C ZINC000156148545 408242085 /nfs/dbraw/zinc/24/20/85/408242085.db2.gz GFMGDZJFQSJEEN-QWRGUYRKSA-N 1 0 313.379 1.404 20 5 DDBDRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000175993617 408258122 /nfs/dbraw/zinc/25/81/22/408258122.db2.gz VXXLQYZGWAYKGB-LLVKDONJSA-N 1 0 306.366 1.781 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CCC[N@H+](C)C1 ZINC000151126182 408262743 /nfs/dbraw/zinc/26/27/43/408262743.db2.gz LFIJQUXASUMZDR-ZDUSSCGKSA-N 1 0 320.393 1.827 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H]1CO ZINC000263676185 408200735 /nfs/dbraw/zinc/20/07/35/408200735.db2.gz HIAICKZNCACTHS-CYBMUJFWSA-N 1 0 307.350 1.689 20 5 DDBDRO C[C@H](O)[C@H]1CCCC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000246313997 408217534 /nfs/dbraw/zinc/21/75/34/408217534.db2.gz GPYKWJJWLXWZFD-JGGQBBKZSA-N 1 0 324.377 1.570 20 5 DDBDRO COCC[C@H](C)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000273493837 408223187 /nfs/dbraw/zinc/22/31/87/408223187.db2.gz XJEGLZWTWDKQJQ-NSHDSACASA-N 1 0 316.379 1.383 20 5 DDBDRO C[S@](=O)C[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000183120452 408331407 /nfs/dbraw/zinc/33/14/07/408331407.db2.gz LNSJNKFHIIUWMU-DMZKTXOQSA-N 1 0 322.390 1.501 20 5 DDBDRO CCc1n[nH]c(C(=O)NCC[C@H](C)[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000182918361 408284278 /nfs/dbraw/zinc/28/42/78/408284278.db2.gz MOSGQORVCVWJHD-NSHDSACASA-N 1 0 323.397 1.875 20 5 DDBDRO C[C@H](O)[C@@H]1CC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000183182409 408343832 /nfs/dbraw/zinc/34/38/32/408343832.db2.gz UVZJBTZZAIWLEJ-CMPLNLGQSA-N 1 0 318.333 1.848 20 5 DDBDRO [NH3+]CCCCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000165286986 162160623 /nfs/dbraw/zinc/16/06/23/162160623.db2.gz HERKOWSFSFHYRI-UHFFFAOYSA-N 1 0 316.155 1.826 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)C1(CO)CCOCC1 ZINC000191033235 408360517 /nfs/dbraw/zinc/36/05/17/408360517.db2.gz KZBSWRHEDHQTJQ-UHFFFAOYSA-N 1 0 310.350 1.577 20 5 DDBDRO CN(CC1CC[NH+](C)CC1)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000176484403 408377244 /nfs/dbraw/zinc/37/72/44/408377244.db2.gz XJBBNCRHXKFKCC-UHFFFAOYSA-N 1 0 306.366 1.591 20 5 DDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160457957 408484252 /nfs/dbraw/zinc/48/42/52/408484252.db2.gz ZEXNIVLWHQALCW-HNNXBMFYSA-N 1 0 321.377 1.100 20 5 DDBDRO COCC[N@H+](C)CCNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000264521748 408522931 /nfs/dbraw/zinc/52/29/31/408522931.db2.gz GJCWXUMJWTXKAC-UHFFFAOYSA-N 1 0 320.349 1.384 20 5 DDBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000270414109 408526644 /nfs/dbraw/zinc/52/66/44/408526644.db2.gz SCHDRSYYDYRGBY-HNNXBMFYSA-N 1 0 320.393 1.921 20 5 DDBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000247410644 408468842 /nfs/dbraw/zinc/46/88/42/408468842.db2.gz NFQPZUUGNMGDEL-GXTWGEPZSA-N 1 0 305.378 1.936 20 5 DDBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1ccccc1[N+](=O)[O-] ZINC000176905745 408471104 /nfs/dbraw/zinc/47/11/04/408471104.db2.gz FXFYACRYEAKVDP-GFCCVEGCSA-N 1 0 309.366 1.681 20 5 DDBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000248446233 408568885 /nfs/dbraw/zinc/56/88/85/408568885.db2.gz WQRUBPNGLYTCSS-MNOVXSKESA-N 1 0 321.381 1.422 20 5 DDBDRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)C[C@H]12 ZINC000248578857 408589614 /nfs/dbraw/zinc/58/96/14/408589614.db2.gz FATGAQQORKBKSC-ONUAJXRDSA-N 1 0 301.346 1.804 20 5 DDBDRO [NH3+][C@H]1CC[C@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])s3)C[C@H]21 ZINC000184320140 408590704 /nfs/dbraw/zinc/59/07/04/408590704.db2.gz HUWPRGGXOIASEA-YIZRAAEISA-N 1 0 317.392 1.014 20 5 DDBDRO C[N@H+]1C[C@H]2CN(C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)C[C@H]2C1 ZINC000192517418 408603744 /nfs/dbraw/zinc/60/37/44/408603744.db2.gz KPDCVQDQIMVOPB-PHIMTYICSA-N 1 0 320.305 1.137 20 5 DDBDRO C[C@@H](c1cccnc1)[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000270680739 408633460 /nfs/dbraw/zinc/63/34/60/408633460.db2.gz UPNOSDPQCLECKZ-FZMZJTMJSA-N 1 0 305.338 1.240 20 5 DDBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1C[C@@H](C)[C@H]([NH+](C)C)C1 ZINC000270690561 408639025 /nfs/dbraw/zinc/63/90/25/408639025.db2.gz XJOKRZZZHSESIB-LALPHHSUSA-N 1 0 320.393 1.804 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C[C@H](C)O)C[C@@H]1C ZINC000251947654 408790699 /nfs/dbraw/zinc/79/06/99/408790699.db2.gz UJNKHPMKFFUXTK-STQMWFEESA-N 1 0 321.377 1.430 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000195132096 408812593 /nfs/dbraw/zinc/81/25/93/408812593.db2.gz KJKPHWAYMSSCGP-ZDUSSCGKSA-N 1 0 322.365 1.497 20 5 DDBDRO Cc1n[nH]c(C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)c1[N+](=O)[O-] ZINC000265725763 408760509 /nfs/dbraw/zinc/76/05/09/408760509.db2.gz OIZWWRDMJIEMKQ-LBPRGKRZSA-N 1 0 321.381 1.717 20 5 DDBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)[N@@H+]1CCC[C@H](C)C1 ZINC000249860323 408769617 /nfs/dbraw/zinc/76/96/17/408769617.db2.gz QGRODJJMIDXFSI-WDEREUQCSA-N 1 0 322.365 1.546 20 5 DDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000250898937 408780167 /nfs/dbraw/zinc/78/01/67/408780167.db2.gz YKOOAPQPAYAPLN-NXEZZACHSA-N 1 0 313.379 1.274 20 5 DDBDRO C[NH+](C)[C@]1(CNC(=O)c2cc([N+](=O)[O-])ccc2N)CCSC1 ZINC000276518261 408873717 /nfs/dbraw/zinc/87/37/17/408873717.db2.gz LXASYIPJUOGMRB-AWEZNQCLSA-N 1 0 324.406 1.344 20 5 DDBDRO O=[N+]([O-])c1ccn(CCN2CCOc3cc(O)ccc3C2)n1 ZINC000285637027 408833470 /nfs/dbraw/zinc/83/34/70/408833470.db2.gz XMWJQGDHZWRCFR-UHFFFAOYSA-N 1 0 304.306 1.392 20 5 DDBDRO C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1)C1CC1 ZINC000290833420 408841256 /nfs/dbraw/zinc/84/12/56/408841256.db2.gz UXFPDBAXXIBVPH-ZDUSSCGKSA-N 1 0 317.349 1.308 20 5 DDBDRO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000285742680 408854602 /nfs/dbraw/zinc/85/46/02/408854602.db2.gz LBPORQYPDAGMDM-GXFFZTMASA-N 1 0 319.365 1.407 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000215993953 163330795 /nfs/dbraw/zinc/33/07/95/163330795.db2.gz VOVUQSBZXHMHED-WDEREUQCSA-N 1 0 313.379 1.261 20 5 DDBDRO C[C@@H](CCCC[NH3+])NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000292079869 408976084 /nfs/dbraw/zinc/97/60/84/408976084.db2.gz MBMLJHZDDUPIAU-JTQLQIEISA-N 1 0 313.329 1.746 20 5 DDBDRO C[N@@H+]1CC[C@]2(CCN(CC(=O)Nc3ccccc3[N+](=O)[O-])C2)C1 ZINC000292144844 408989467 /nfs/dbraw/zinc/98/94/67/408989467.db2.gz MWPWKPACMVZBKP-INIZCTEOSA-N 1 0 318.377 1.561 20 5 DDBDRO C[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC[N@@H+](C2CCC2)C1 ZINC000292510047 409034427 /nfs/dbraw/zinc/03/44/27/409034427.db2.gz YAZAOFINFHRENX-LBPRGKRZSA-N 1 0 321.381 1.124 20 5 DDBDRO C[N@H+](CCCN1C(=O)CNC1=O)CCc1cccc([N+](=O)[O-])c1 ZINC000282343771 409037721 /nfs/dbraw/zinc/03/77/21/409037721.db2.gz CBELGARFVYXTGV-UHFFFAOYSA-N 1 0 320.349 1.011 20 5 DDBDRO COC[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCCO1 ZINC000279011177 409131553 /nfs/dbraw/zinc/13/15/53/409131553.db2.gz FKOSCPJOQDOQDD-LSDHHAIUSA-N 1 0 310.350 1.757 20 5 DDBDRO CCc1n[nH]c(C(=O)NC[C@H](CC(C)C)[NH+](C)C)c1[N+](=O)[O-] ZINC000278448311 409083792 /nfs/dbraw/zinc/08/37/92/409083792.db2.gz GSBCZGXFLPSZAD-JTQLQIEISA-N 1 0 311.386 1.586 20 5 DDBDRO O=[N+]([O-])c1cc(CN2CCC[C@H](O)CC2)c2c(c1)COCO2 ZINC000293299458 409084555 /nfs/dbraw/zinc/08/45/55/409084555.db2.gz WJYKNVDDDKLOFS-AWEZNQCLSA-N 1 0 308.334 1.808 20 5 DDBDRO Cc1ccnc(N2CCC[C@@H](CN3CCOCC3)C2)c1[N+](=O)[O-] ZINC000283562429 409176352 /nfs/dbraw/zinc/17/63/52/409176352.db2.gz PXRLVNROBBENPX-AWEZNQCLSA-N 1 0 320.393 1.847 20 5 DDBDRO COc1cc(OCC(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000261793802 163704654 /nfs/dbraw/zinc/70/46/54/163704654.db2.gz LESZDDCTYRFHMU-WDEREUQCSA-N 1 0 323.349 1.178 20 5 DDBDRO O=C(COc1ccccc1[N+](=O)[O-])N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000290048479 409292801 /nfs/dbraw/zinc/29/28/01/409292801.db2.gz HAVQTWIMSBNWFH-NWDGAFQWSA-N 1 0 305.334 1.042 20 5 DDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC1CC[NH2+]CC1 ZINC000262743672 163873207 /nfs/dbraw/zinc/87/32/07/163873207.db2.gz KNOROMKMMBRKBR-UHFFFAOYSA-N 1 0 313.379 1.188 20 5 DDBDRO C[NH+](C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)c1ccsc1 ZINC000285388116 409423886 /nfs/dbraw/zinc/42/38/86/409423886.db2.gz JGHCSVIVOZDKKN-JTQLQIEISA-N 1 0 309.351 1.412 20 5 DDBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@H]1CCNC(=O)CC1 ZINC000295309603 409427070 /nfs/dbraw/zinc/42/70/70/409427070.db2.gz NDKHSRNLNHXCRU-CYBMUJFWSA-N 1 0 305.378 1.985 20 5 DDBDRO Nc1ccc(C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000317235063 164026757 /nfs/dbraw/zinc/02/67/57/164026757.db2.gz LOVKYIJEMQTMMS-RYUDHWBXSA-N 1 0 304.350 1.534 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](C)C[NH+](C)C ZINC000344962475 409571684 /nfs/dbraw/zinc/57/16/84/409571684.db2.gz WPWPXTQEKILCKD-JTQLQIEISA-N 1 0 301.368 1.132 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)n1 ZINC000331520387 409594081 /nfs/dbraw/zinc/59/40/81/409594081.db2.gz FTFHCPNPHRYGIW-NWDGAFQWSA-N 1 0 321.381 1.510 20 5 DDBDRO CC(C)[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCOCC1 ZINC000304288112 409594420 /nfs/dbraw/zinc/59/44/20/409594420.db2.gz BHOJTAQHTXCNSL-AWEZNQCLSA-N 1 0 312.370 1.042 20 5 DDBDRO C[C@H](Sc1nnnn1CC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000337954673 409598553 /nfs/dbraw/zinc/59/85/53/409598553.db2.gz JGIUPXOHSOJYOW-JTQLQIEISA-N 1 0 322.394 1.996 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000342451400 409642160 /nfs/dbraw/zinc/64/21/60/409642160.db2.gz PAVZHJAPORMNHZ-XPTSAGLGSA-N 1 0 304.350 1.511 20 5 DDBDRO CN(C)C(=O)O[C@@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000296829081 409652567 /nfs/dbraw/zinc/65/25/67/409652567.db2.gz SDDSWQGSJCHJNY-CQSZACIVSA-N 1 0 323.349 1.746 20 5 DDBDRO Cn1c(C(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)ccc1[N+](=O)[O-] ZINC000349040466 409660273 /nfs/dbraw/zinc/66/02/73/409660273.db2.gz APXWIVOFOFZBPZ-JTQLQIEISA-N 1 0 315.333 1.397 20 5 DDBDRO O=C(NCCNc1cc[nH+]cc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000338061168 409688717 /nfs/dbraw/zinc/68/87/17/409688717.db2.gz WBJMIPSWVQFQSZ-UHFFFAOYSA-N 1 0 301.306 1.645 20 5 DDBDRO [NH3+]C1(CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CCC1 ZINC000342624589 409773111 /nfs/dbraw/zinc/77/31/11/409773111.db2.gz YQTSOOSOUGIQOA-UHFFFAOYSA-N 1 0 304.350 1.780 20 5 DDBDRO CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000338375370 409948257 /nfs/dbraw/zinc/94/82/57/409948257.db2.gz DNVWEMITDVKVIL-LLVKDONJSA-N 1 0 322.365 1.303 20 5 DDBDRO O=C(Nc1ccncc1[N+](=O)[O-])N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000332317181 410063875 /nfs/dbraw/zinc/06/38/75/410063875.db2.gz PQUDDPQSNRGVBP-LBPRGKRZSA-N 1 0 319.365 1.265 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000339624356 410339006 /nfs/dbraw/zinc/33/90/06/410339006.db2.gz ZRQMWHDQKVXXOJ-BETUJISGSA-N 1 0 320.393 1.866 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000347151634 410364724 /nfs/dbraw/zinc/36/47/24/410364724.db2.gz IYMZMXLBVDTRPX-UHFFFAOYSA-N 1 0 307.354 1.029 20 5 DDBDRO C[C@@H]1CN(C(C)(C)CNc2ncc([N+](=O)[O-])c(N)n2)C[C@H](C)O1 ZINC000298725045 410367333 /nfs/dbraw/zinc/36/73/33/410367333.db2.gz PPMOUGKLHKHUBF-AOOOYVTPSA-N 1 0 324.385 1.267 20 5 DDBDRO O=C(CC[N@H+]1CCC[C@@H](O)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000339780962 410453829 /nfs/dbraw/zinc/45/38/29/410453829.db2.gz SYBZWVHBRCFLHM-CQSZACIVSA-N 1 0 307.350 1.770 20 5 DDBDRO CCC[C@@H]([NH2+]C(C)C)C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000352044131 410438619 /nfs/dbraw/zinc/43/86/19/410438619.db2.gz FJFAWLRTNNYUAL-CYBMUJFWSA-N 1 0 319.365 2.576 20 5 DDBDRO COCCCNC(=O)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000299179175 410558189 /nfs/dbraw/zinc/55/81/89/410558189.db2.gz YXBCKAGZFCLRIG-LBPRGKRZSA-N 1 0 309.366 1.707 20 5 DDBDRO C[NH+](C)[C@@H](CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)C1CC1 ZINC000352225735 410563162 /nfs/dbraw/zinc/56/31/62/410563162.db2.gz NSEONWREBHPPQU-LBPRGKRZSA-N 1 0 321.333 1.394 20 5 DDBDRO Cc1c(CO)cc([N+](=O)[O-])c(NC2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000301067316 410650242 /nfs/dbraw/zinc/65/02/42/410650242.db2.gz CXEMDTLWCSKJTP-UHFFFAOYSA-N 1 0 324.337 1.810 20 5 DDBDRO Cc1cc(N2CCC([N@H+]3CCO[C@H](C)C3)CC2)ncc1[N+](=O)[O-] ZINC000301446665 410723427 /nfs/dbraw/zinc/72/34/27/410723427.db2.gz RHXRAEZGTPOTBA-CYBMUJFWSA-N 1 0 320.393 1.988 20 5 DDBDRO COc1cc(CN2C[C@H]3C[NH2+]C[C@@H]3C2)c([N+](=O)[O-])cc1OC ZINC000359479103 410682846 /nfs/dbraw/zinc/68/28/46/410682846.db2.gz XRCOXJZFKHCCIY-VXGBXAGGSA-N 1 0 307.350 1.263 20 5 DDBDRO C[N@@H+]1CCC[C@H]1CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000353058225 410761990 /nfs/dbraw/zinc/76/19/90/410761990.db2.gz RNEJDRRBABUGIW-ZDUSSCGKSA-N 1 0 313.379 1.108 20 5 DDBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2c([N+](=O)[O-])cnn2C)[C@@H](C)C1 ZINC000330553634 410772639 /nfs/dbraw/zinc/77/26/39/410772639.db2.gz CTZBMIFKUOKCGS-QWRGUYRKSA-N 1 0 309.370 1.131 20 5 DDBDRO Cc1nn(CCC(=O)N2C[C@@H](C)[N@@H+](C)C[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000330605530 410822368 /nfs/dbraw/zinc/82/23/68/410822368.db2.gz ZDVYNUWHKZJQQQ-GHMZBOCLSA-N 1 0 323.397 1.349 20 5 DDBDRO CC(C)[NH+]1CCC(N(C)c2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000301911547 410826457 /nfs/dbraw/zinc/82/64/57/410826457.db2.gz GPSRKUCMAWLGHC-UHFFFAOYSA-N 1 0 318.381 1.947 20 5 DDBDRO C[C@@H]1C[N@H+](C)CCN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000330675600 410869606 /nfs/dbraw/zinc/86/96/06/410869606.db2.gz SHEYVHVRYBCDAE-LLVKDONJSA-N 1 0 317.349 1.781 20 5 DDBDRO Cn1c(C(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)ccc1[N+](=O)[O-] ZINC000356300142 410954768 /nfs/dbraw/zinc/95/47/68/410954768.db2.gz OERNBOUUNRRSMO-OAHLLOKOSA-N 1 0 306.366 1.491 20 5 DDBDRO CC(C)(C)[C@H](O)C[C@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000341282596 410981976 /nfs/dbraw/zinc/98/19/76/410981976.db2.gz XCOJGKRFUKKKQF-BXUZGUMPSA-N 1 0 314.357 1.982 20 5 DDBDRO Cn1nc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000356466632 411045877 /nfs/dbraw/zinc/04/58/77/411045877.db2.gz YAEFJMJWABGLCA-SNVBAGLBSA-N 1 0 307.354 1.075 20 5 DDBDRO O=C(NC[C@@H]1CCC[NH2+]C1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000129818677 196078278 /nfs/dbraw/zinc/07/82/78/196078278.db2.gz DISBGAHEELPXIK-SECBINFHSA-N 1 0 303.322 1.201 20 5 DDBDRO COc1ccc(CNC(=O)N2CC[C@@](C)(C[NH3+])C2)cc1[N+](=O)[O-] ZINC000417202372 225244162 /nfs/dbraw/zinc/24/41/62/225244162.db2.gz XKRHPNTXSFXNAD-HNNXBMFYSA-N 1 0 322.365 1.484 20 5 DDBDRO CN(C)C(=O)O[C@@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000296675265 226111476 /nfs/dbraw/zinc/11/14/76/226111476.db2.gz KYTPRWQRCUOPHI-CQSZACIVSA-N 1 0 307.350 1.910 20 5 DDBDRO C[C@@H]1CN(CCOc2ccccc2[N+](=O)[O-])[C@@H](C)C[N@@H+]1CCO ZINC000419334998 226122014 /nfs/dbraw/zinc/12/20/14/226122014.db2.gz VYAZMLAXPPUEJS-KGLIPLIRSA-N 1 0 323.393 1.361 20 5 DDBDRO COC[C@@](C)([NH3+])CNc1ccc(CC(=O)OC)cc1[N+](=O)[O-] ZINC000297057806 226722976 /nfs/dbraw/zinc/72/29/76/226722976.db2.gz ITBGBDGWTWNIAU-AWEZNQCLSA-N 1 0 311.338 1.086 20 5 DDBDRO C[NH+](C)C1CCC(NC(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000421692368 226760951 /nfs/dbraw/zinc/76/09/51/226760951.db2.gz PCAHNBOWUUCTQB-UHFFFAOYSA-N 1 0 321.377 1.963 20 5 DDBDRO C[C@@H]1CCC[N@@H+]1C1CCN(Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000366620230 418498141 /nfs/dbraw/zinc/49/81/41/418498141.db2.gz NXVAFYGHGHVXFW-GFCCVEGCSA-N 1 0 307.398 1.777 20 5 DDBDRO O=C(Cc1ccccc1[N+](=O)[O-])N[C@@H]1C[C@@H]1C1CC[NH2+]CC1 ZINC000361077425 418578138 /nfs/dbraw/zinc/57/81/38/418578138.db2.gz BFXKDVPYSGGOLY-ZIAGYGMSSA-N 1 0 303.362 1.642 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CCN(c3ccc([N+](=O)[O-])c4nonc43)C[C@@H]21 ZINC000375050722 418595855 /nfs/dbraw/zinc/59/58/55/418595855.db2.gz SFDVBJDHPQAUOU-SKDRFNHKSA-N 1 0 303.322 1.661 20 5 DDBDRO C[C@@H](Cn1cccn1)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000361274066 418616591 /nfs/dbraw/zinc/61/65/91/418616591.db2.gz QOENPQGYFNONBU-JTQLQIEISA-N 1 0 300.322 1.846 20 5 DDBDRO Cc1ccncc1C[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000361423812 418650094 /nfs/dbraw/zinc/65/00/94/418650094.db2.gz WLXHAHXLEVBDOG-UHFFFAOYSA-N 1 0 302.334 1.592 20 5 DDBDRO CC(C)(C)[C@H]1CCC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000361541722 418673807 /nfs/dbraw/zinc/67/38/07/418673807.db2.gz SBZNMBKUDJMXJB-JSGCOSHPSA-N 1 0 310.398 1.910 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](C)[C@@H](C)[NH3+])cc1C ZINC000381427562 418729213 /nfs/dbraw/zinc/72/92/13/418729213.db2.gz BWOJGLJRNQZPSZ-ZJUUUORDSA-N 1 0 301.368 1.226 20 5 DDBDRO Cc1nc(NC[C@@H]2CCC[C@@H]2[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000370531770 418746037 /nfs/dbraw/zinc/74/60/37/418746037.db2.gz UBFQIKDQPLPVMJ-ZFWWWQNUSA-N 1 0 320.393 2.211 20 5 DDBDRO C[N@@H+]1CCO[C@@H]2CCN(c3c4c(ccc3[N+](=O)[O-])NCC4)C[C@H]21 ZINC000408026841 418782753 /nfs/dbraw/zinc/78/27/53/418782753.db2.gz JJAOSVJPLOKGTO-HUUCEWRRSA-N 1 0 318.377 1.472 20 5 DDBDRO Cn1ccc(N2CC[C@H]([NH2+]Cc3csc([N+](=O)[O-])c3)C2)n1 ZINC000371713931 418810934 /nfs/dbraw/zinc/81/09/34/418810934.db2.gz GDZACXIKJYFAPZ-NSHDSACASA-N 1 0 307.379 1.758 20 5 DDBDRO O=[N+]([O-])c1cnn([C@H]2CCC[N@@H+](C[C@@H](O)CC(F)(F)F)C2)c1 ZINC000365287943 418849658 /nfs/dbraw/zinc/84/96/58/418849658.db2.gz GYNWSRFEGBRMGS-ONGXEEELSA-N 1 0 322.287 1.742 20 5 DDBDRO CC[C@@H](NC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cccc([N+](=O)[O-])c1 ZINC000417818207 419339867 /nfs/dbraw/zinc/33/98/67/419339867.db2.gz ARUUTFAMYDNGLF-RQJABVFESA-N 1 0 304.350 1.563 20 5 DDBDRO CC[C@@H]1C[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H](CC)O1 ZINC000420960101 419385021 /nfs/dbraw/zinc/38/50/21/419385021.db2.gz RCCAWLUXPIEGAV-BFHYXJOUSA-N 1 0 312.370 1.042 20 5 DDBDRO C[C@@H](NC(=O)NCC[C@H]1CC[NH2+]C1)c1ccccc1[N+](=O)[O-] ZINC000417987056 419451972 /nfs/dbraw/zinc/45/19/72/419451972.db2.gz QXGLRFZYBJBXKY-VXGBXAGGSA-N 1 0 306.366 1.955 20 5 DDBDRO COc1ccc(C[NH2+][C@H](CO)[C@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000411993538 419552464 /nfs/dbraw/zinc/55/24/64/419552464.db2.gz LNHJITFQZPTNJN-QWHCGFSZSA-N 1 0 310.350 1.481 20 5 DDBDRO Cc1c(CC(=O)N(C)C[C@H]2CCC[N@@H+]2C)cccc1[N+](=O)[O-] ZINC000421711536 419697024 /nfs/dbraw/zinc/69/70/24/419697024.db2.gz OPCJFYNAAXPLTL-CQSZACIVSA-N 1 0 305.378 1.998 20 5 DDBDRO C[NH2+]C[C@H](C)CNC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000418369317 419748137 /nfs/dbraw/zinc/74/81/37/419748137.db2.gz NMFCUWHZARTFBD-NSHDSACASA-N 1 0 322.365 1.354 20 5 DDBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000418337430 419720769 /nfs/dbraw/zinc/72/07/69/419720769.db2.gz JOSVDPQBLDRLQD-CYBMUJFWSA-N 1 0 320.393 1.778 20 5 DDBDRO C[C@H](C[NH3+])CNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000418478211 419826860 /nfs/dbraw/zinc/82/68/60/419826860.db2.gz WSNRELLKBYDISM-LLVKDONJSA-N 1 0 306.366 1.864 20 5 DDBDRO COc1cc(CNC[C@@H]2CCC[NH2+]C2)c([N+](=O)[O-])cc1OC ZINC000414830574 419831467 /nfs/dbraw/zinc/83/14/67/419831467.db2.gz OYHCOGFRFDAJKX-LLVKDONJSA-N 1 0 309.366 1.701 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000299277840 229025238 /nfs/dbraw/zinc/02/52/38/229025238.db2.gz MXZZIMBEKINXHL-UHFFFAOYSA-N 1 0 321.381 1.233 20 5 DDBDRO COCC[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@H]1CCCSC1 ZINC000433195555 229171927 /nfs/dbraw/zinc/17/19/27/229171927.db2.gz WINCLHJXUMMCDX-LBPRGKRZSA-N 1 0 314.411 1.635 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CCCO)CC2)c2ccncc21 ZINC000299520894 229177201 /nfs/dbraw/zinc/17/72/01/229177201.db2.gz DVEMXCHKOPYPSW-UHFFFAOYSA-N 1 0 316.361 1.647 20 5 DDBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CNCCO1 ZINC000415091120 419936575 /nfs/dbraw/zinc/93/65/75/419936575.db2.gz BPRLQCBZHQDJDR-IMJJTQAJSA-N 1 0 319.405 1.884 20 5 DDBDRO C[C@@H]([NH3+])C1CCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC1 ZINC000428902704 419945488 /nfs/dbraw/zinc/94/54/88/419945488.db2.gz SMPGZDQAUZNLTA-SNVBAGLBSA-N 1 0 309.370 1.112 20 5 DDBDRO [NH3+][C@H](CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)C1CC1 ZINC000423484055 420058986 /nfs/dbraw/zinc/05/89/86/420058986.db2.gz SYZBRRBQANQSKN-GFCCVEGCSA-N 1 0 300.318 1.610 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000423645251 420112361 /nfs/dbraw/zinc/11/23/61/420112361.db2.gz QGSWJOGFZWBMPU-VXGBXAGGSA-N 1 0 319.361 1.675 20 5 DDBDRO C[C@H](Nc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@H]1CCC[NH2+]C1 ZINC000420168583 420140319 /nfs/dbraw/zinc/14/03/19/420140319.db2.gz QJKYDFBAVYBJMG-JQWIXIFHSA-N 1 0 317.349 2.445 20 5 DDBDRO CCC(CC)(C[NH3+])C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000423719029 420141072 /nfs/dbraw/zinc/14/10/72/420141072.db2.gz DVGLCSUUIGCEMV-UHFFFAOYSA-N 1 0 305.338 2.175 20 5 DDBDRO C[NH2+]C[C@@H]1CCCN1C(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000415495011 420090519 /nfs/dbraw/zinc/09/05/19/420090519.db2.gz FOOSUOLBAGVACR-NSHDSACASA-N 1 0 308.338 1.819 20 5 DDBDRO C[C@@H]1[NH2+]CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000420308577 420197249 /nfs/dbraw/zinc/19/72/49/420197249.db2.gz KOPUZIOJRBVIPJ-RYUDHWBXSA-N 1 0 306.366 1.606 20 5 DDBDRO C[C@H]1CCCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@H]1C[NH3+] ZINC000430580079 420146142 /nfs/dbraw/zinc/14/61/42/420146142.db2.gz HGZIPLQILVOGLF-WFASDCNBSA-N 1 0 320.393 1.617 20 5 DDBDRO CC(C)(C(=O)NC[C@H]1[NH2+]CCCC1(C)C)n1cc([N+](=O)[O-])cn1 ZINC000430629674 420165071 /nfs/dbraw/zinc/16/50/71/420165071.db2.gz QMHWVEMJJZTQKZ-GFCCVEGCSA-N 1 0 323.397 1.421 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[NH2+]C[C@](C)(F)C1 ZINC000420343866 420222083 /nfs/dbraw/zinc/22/20/83/420222083.db2.gz RVUBVPMQRGVMMH-HNNXBMFYSA-N 1 0 324.356 1.475 20 5 DDBDRO CC(C)(CCC[NH3+])NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000431016703 420234716 /nfs/dbraw/zinc/23/47/16/420234716.db2.gz XBVLRDMYKTXJBT-UHFFFAOYSA-N 1 0 315.395 1.532 20 5 DDBDRO [NH3+][C@H]1CCCCCC[C@@H]1C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000423902403 420254859 /nfs/dbraw/zinc/25/48/59/420254859.db2.gz LZNCFHYMRRALDW-STQMWFEESA-N 1 0 309.370 1.205 20 5 DDBDRO O=C(CNc1ccccc1[N+](=O)[O-])N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000435244844 420262995 /nfs/dbraw/zinc/26/29/95/420262995.db2.gz IJRQMUPHBRPQIK-LBPRGKRZSA-N 1 0 304.350 1.360 20 5 DDBDRO C[NH+](C)C1(CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 ZINC000416305933 420321317 /nfs/dbraw/zinc/32/13/17/420321317.db2.gz YSEXFVFYCHRKDR-UHFFFAOYSA-N 1 0 302.334 1.900 20 5 DDBDRO CC[NH+](CC)[C@H]1CCN(c2c(C(N)=O)cccc2[N+](=O)[O-])C1 ZINC000420601158 420327587 /nfs/dbraw/zinc/32/75/87/420327587.db2.gz NFAJSDMOKDVJPQ-NSHDSACASA-N 1 0 306.366 1.614 20 5 DDBDRO Cc1ccc(S(=O)(=O)NC[C@H]2CC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC000416495276 420395237 /nfs/dbraw/zinc/39/52/37/420395237.db2.gz LCUXQAOCDYPOSI-LLVKDONJSA-N 1 0 313.379 1.133 20 5 DDBDRO O=[N+]([O-])c1cnc(Nc2cnn(CC[NH+]3CCCCC3)c2)nc1 ZINC000302240160 230194116 /nfs/dbraw/zinc/19/41/16/230194116.db2.gz XJLPZCMEDLMPSF-UHFFFAOYSA-N 1 0 317.353 1.811 20 5 DDBDRO COc1ccc(CNC(=O)N[C@H]2CC[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000417177976 420444526 /nfs/dbraw/zinc/44/45/26/420444526.db2.gz DFGOMBXRELFVBI-PWSUYJOCSA-N 1 0 322.365 1.530 20 5 DDBDRO Cn1c(C(=O)NC2CC[NH+](C3CCC3)CC2)ccc1[N+](=O)[O-] ZINC000456693277 420530285 /nfs/dbraw/zinc/53/02/85/420530285.db2.gz GEUPSIZYZXRJIR-UHFFFAOYSA-N 1 0 306.366 1.680 20 5 DDBDRO CC1(C)CCC[N@@H+]1CCNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000457075841 420603047 /nfs/dbraw/zinc/60/30/47/420603047.db2.gz NQYDHJLXXSLILE-UHFFFAOYSA-N 1 0 309.370 1.172 20 5 DDBDRO CNc1nc(C(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000457084948 420605262 /nfs/dbraw/zinc/60/52/62/420605262.db2.gz GYXWGXZXRRVXAJ-LLVKDONJSA-N 1 0 321.381 1.586 20 5 DDBDRO CNc1c(C(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000452978657 420693995 /nfs/dbraw/zinc/69/39/95/420693995.db2.gz SIHHIHYDDRIASG-GXFFZTMASA-N 1 0 304.350 1.413 20 5 DDBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1C[C@@H](C[NH3+])C[C@H]1C ZINC000442765053 420711323 /nfs/dbraw/zinc/71/13/23/420711323.db2.gz ITKCSJFJZJSVFG-IJLUTSLNSA-N 1 0 306.366 1.591 20 5 DDBDRO CC(C)C(=O)NCC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447515132 420777651 /nfs/dbraw/zinc/77/76/51/420777651.db2.gz AZGLCZFUCLKBLA-QWHCGFSZSA-N 1 0 323.397 1.637 20 5 DDBDRO O=C(NCC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)C1CC1 ZINC000447515969 420777827 /nfs/dbraw/zinc/77/78/27/420777827.db2.gz MQPOABUKOVMZGZ-CHWSQXEVSA-N 1 0 321.381 1.391 20 5 DDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCc2ncnn2C1 ZINC000449128221 420957209 /nfs/dbraw/zinc/95/72/09/420957209.db2.gz YOCUSJYVFIHFGJ-WCQYABFASA-N 1 0 301.350 1.722 20 5 DDBDRO COC(=O)c1cc(NC(=O)[C@@H](C)[NH2+]C2CC2)cc([N+](=O)[O-])c1 ZINC000449248830 420975580 /nfs/dbraw/zinc/97/55/80/420975580.db2.gz HXWOOOVOYQJINQ-MRVPVSSYSA-N 1 0 307.306 1.460 20 5 DDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC(=O)NCC(F)F ZINC000449302508 420985910 /nfs/dbraw/zinc/98/59/10/420985910.db2.gz VOANMAOSPOVKJK-VIFPVBQESA-N 1 0 301.293 1.497 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1[C@H](C)C[NH2+]C[C@@H]1C ZINC000493795215 420943506 /nfs/dbraw/zinc/94/35/06/420943506.db2.gz NHLCRNKKGJRISD-TXEJJXNPSA-N 1 0 306.366 1.524 20 5 DDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCCCN1CCO ZINC000449398918 421007481 /nfs/dbraw/zinc/00/74/81/421007481.db2.gz WYNKDZYNDPHJBG-GOEBONIOSA-N 1 0 321.421 1.962 20 5 DDBDRO CNc1nc(C(=O)N(CC[NH+](C)C)CC(C)C)ccc1[N+](=O)[O-] ZINC000455524798 421029956 /nfs/dbraw/zinc/02/99/56/421029956.db2.gz OVFCWRXEWQKZIL-UHFFFAOYSA-N 1 0 323.397 1.691 20 5 DDBDRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000449621678 421039239 /nfs/dbraw/zinc/03/92/39/421039239.db2.gz IHVVOWPYZMBUJP-FVGKDHOHSA-N 1 0 319.361 1.606 20 5 DDBDRO COCCC[N@H+](C)CCNc1c2ccccc2ncc1[N+](=O)[O-] ZINC000488096190 421068890 /nfs/dbraw/zinc/06/88/90/421068890.db2.gz KTGJKNFGXNPXJH-UHFFFAOYSA-N 1 0 318.377 1.945 20 5 DDBDRO CNc1nc(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000455906633 421075583 /nfs/dbraw/zinc/07/55/83/421075583.db2.gz GLAYHKVWDQNKHC-ZYHUDNBSSA-N 1 0 321.381 1.490 20 5 DDBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](C[C@H]3COCCO3)CC2)cc1 ZINC000450462376 421200454 /nfs/dbraw/zinc/20/04/54/421200454.db2.gz ZTIXHLPBRJDCIW-INIZCTEOSA-N 1 0 322.361 1.853 20 5 DDBDRO O=C1CC[C@H](C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)CCN1 ZINC000450481986 421202613 /nfs/dbraw/zinc/20/26/13/421202613.db2.gz FZLXJNBOWSGJTQ-LBPRGKRZSA-N 1 0 303.362 1.869 20 5 DDBDRO CC(C)[N@H+](C)CC1CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000524122885 421254730 /nfs/dbraw/zinc/25/47/30/421254730.db2.gz YMFROJOOOPIJEA-UHFFFAOYSA-N 1 0 308.386 1.524 20 5 DDBDRO CNc1ccc(C(=O)NCC[N@H+](C)CCCOC)cc1[N+](=O)[O-] ZINC000525092898 421277838 /nfs/dbraw/zinc/27/78/38/421277838.db2.gz LMAQDNKWXPEOCO-UHFFFAOYSA-N 1 0 324.381 1.335 20 5 DDBDRO C[C@]1(CO)CCC[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000546103886 421285502 /nfs/dbraw/zinc/28/55/02/421285502.db2.gz BBMPGVLNBVVJCG-OAHLLOKOSA-N 1 0 308.334 1.808 20 5 DDBDRO C[NH+](C)C1(CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CCC1 ZINC000526120986 421333196 /nfs/dbraw/zinc/33/31/96/421333196.db2.gz PIYUYJBZZBMXOR-UHFFFAOYSA-N 1 0 321.333 1.538 20 5 DDBDRO CN(CCC[NH+](C)C)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000548095194 421399092 /nfs/dbraw/zinc/39/90/92/421399092.db2.gz NVHRYNSSBABSJM-UHFFFAOYSA-N 1 0 308.382 1.730 20 5 DDBDRO C[NH+](C)[C@H](CNC(=O)c1c[nH]nc1[N+](=O)[O-])c1cccs1 ZINC000548408203 421435608 /nfs/dbraw/zinc/43/56/08/421435608.db2.gz FBZYZGSUGMUSJZ-SECBINFHSA-N 1 0 309.351 1.412 20 5 DDBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000563168983 421466938 /nfs/dbraw/zinc/46/69/38/421466938.db2.gz CWLGFNNJLPWWEP-BDAKNGLRSA-N 1 0 309.322 1.222 20 5 DDBDRO CCc1n[nH]c(C(=O)NCC2CC[NH+](CC)CC2)c1[N+](=O)[O-] ZINC000515241294 421486726 /nfs/dbraw/zinc/48/67/26/421486726.db2.gz GFCCZCQKQHFOMJ-UHFFFAOYSA-N 1 0 309.370 1.342 20 5 DDBDRO CC1(C)CC(NC(=O)c2ccnc(N)c2[N+](=O)[O-])CC(C)(C)[NH2+]1 ZINC000566865759 421609227 /nfs/dbraw/zinc/60/92/27/421609227.db2.gz FKSKCEALWIOUBP-UHFFFAOYSA-N 1 0 321.381 1.611 20 5 DDBDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)C[C@@H](C)C1 ZINC000553785425 421625646 /nfs/dbraw/zinc/62/56/46/421625646.db2.gz ZEFLTRVISQPIRV-HUBLWGQQSA-N 1 0 318.377 1.792 20 5 DDBDRO CC[NH+](CC)CCCNS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000531247458 421627673 /nfs/dbraw/zinc/62/76/73/421627673.db2.gz QAFWQOYOLNNHLI-UHFFFAOYSA-N 1 0 316.383 1.000 20 5 DDBDRO CCC[C@@H]1C[NH2+]CCN1C(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000518373211 421650104 /nfs/dbraw/zinc/65/01/04/421650104.db2.gz PMBWTYFYOHQRJG-CYBMUJFWSA-N 1 0 321.377 1.746 20 5 DDBDRO C[NH+](C)CCN(Cc1ccsc1)C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000519587094 421703306 /nfs/dbraw/zinc/70/33/06/421703306.db2.gz LNUWMZMVLXZWFJ-UHFFFAOYSA-N 1 0 323.378 1.583 20 5 DDBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCN1CCOCC1 ZINC000520472542 421752861 /nfs/dbraw/zinc/75/28/61/421752861.db2.gz QUPDWYPWKMVFNW-KAMYIIQDSA-N 1 0 305.378 1.920 20 5 DDBDRO C[N@@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 ZINC000521114075 421773794 /nfs/dbraw/zinc/77/37/94/421773794.db2.gz RAXKJPYPMKFHGU-SNVBAGLBSA-N 1 0 321.333 1.048 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCNC(=O)c1ccn[nH]1 ZINC000540953242 421778597 /nfs/dbraw/zinc/77/85/97/421778597.db2.gz QDHFQDWUKJGBCA-LLVKDONJSA-N 1 0 317.349 1.707 20 5 DDBDRO O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[C@@H]1CCCCC[NH2+]1 ZINC000521625997 421795905 /nfs/dbraw/zinc/79/59/05/421795905.db2.gz BWKAYBDSBCJNOR-LBPRGKRZSA-N 1 0 303.322 1.942 20 5 DDBDRO CC(C)(CCC[NH3+])NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000572869719 421874828 /nfs/dbraw/zinc/87/48/28/421874828.db2.gz LJNUTGBYKGOOSC-UHFFFAOYSA-N 1 0 309.322 1.571 20 5 DDBDRO C[N@@H+]1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000572979505 421890841 /nfs/dbraw/zinc/89/08/41/421890841.db2.gz NYEIGBNGKYVFNS-UHFFFAOYSA-N 1 0 320.393 1.949 20 5 DDBDRO C[C@H](Cc1ccccc1F)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000559683091 421837085 /nfs/dbraw/zinc/83/70/85/421837085.db2.gz KWNGLCHEJVEOEH-BXUZGUMPSA-N 1 0 322.340 1.512 20 5 DDBDRO CNc1ccc(C(=O)N2CC[C@@H](C[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000543956779 421842655 /nfs/dbraw/zinc/84/26/55/421842655.db2.gz IJTDEYWYQBEGRJ-NSHDSACASA-N 1 0 306.366 1.660 20 5 DDBDRO CC(C)n1cc([C@@H](C)[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cn1 ZINC000544469403 421844971 /nfs/dbraw/zinc/84/49/71/421844971.db2.gz RTQZRYZBVFWPGC-BXUZGUMPSA-N 1 0 322.369 1.280 20 5 DDBDRO Cc1nc(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)sc1C ZINC000573556960 421978781 /nfs/dbraw/zinc/97/87/81/421978781.db2.gz KPRCGSFAQRBZIZ-LLVKDONJSA-N 1 0 311.367 1.015 20 5 DDBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000583034436 422158060 /nfs/dbraw/zinc/15/80/60/422158060.db2.gz PXGFYAPSGWAFCG-SNVBAGLBSA-N 1 0 309.370 1.422 20 5 DDBDRO NC(=O)CC[NH2+]CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000574512430 422123700 /nfs/dbraw/zinc/12/37/00/422123700.db2.gz RCYSIMJNNPDIFK-UHFFFAOYSA-N 1 0 320.271 1.491 20 5 DDBDRO C[C@@H]1CN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC[C@@H]1[NH3+] ZINC000574917409 422215640 /nfs/dbraw/zinc/21/56/40/422215640.db2.gz YRCGQLWINJKCIV-SCZZXKLOSA-N 1 0 307.306 1.133 20 5 DDBDRO O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000594436507 422348034 /nfs/dbraw/zinc/34/80/34/422348034.db2.gz NNDWYNZGBCKCDA-NHYWBVRUSA-N 1 0 315.333 1.799 20 5 DDBDRO CC(C)(C)[N@@H+]1CC[C@H]1CNc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000596305779 422374113 /nfs/dbraw/zinc/37/41/13/422374113.db2.gz AIOGMCZJIJTZIU-JTQLQIEISA-N 1 0 304.354 1.922 20 5 DDBDRO Nc1n[nH]c(C2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000590600228 422322762 /nfs/dbraw/zinc/32/27/62/422322762.db2.gz LPVAKRMXPYQZMO-UHFFFAOYSA-N 1 0 302.338 1.675 20 5 DDBDRO COC(=O)c1ccnc(NCCC[N@H+](C)CC(C)C)c1[N+](=O)[O-] ZINC000598631289 422397634 /nfs/dbraw/zinc/39/76/34/422397634.db2.gz PYKONVKGLVTPQH-UHFFFAOYSA-N 1 0 324.381 2.166 20 5 DDBDRO Nc1nccc(C(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)c1[N+](=O)[O-] ZINC000600469291 422411208 /nfs/dbraw/zinc/41/12/08/422411208.db2.gz JCDYSLYCGFVORQ-LLVKDONJSA-N 1 0 319.365 1.319 20 5 DDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000578192351 422518850 /nfs/dbraw/zinc/51/88/50/422518850.db2.gz NJTRBOHMMLXOOS-VHSXEESVSA-N 1 0 322.365 1.338 20 5 DDBDRO C[C@@H](C[NH+](C)C)NC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000577973967 422470939 /nfs/dbraw/zinc/47/09/39/422470939.db2.gz QPWVWXQPEDAGSW-NSHDSACASA-N 1 0 310.354 1.223 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)n1 ZINC000578498967 422583166 /nfs/dbraw/zinc/58/31/66/422583166.db2.gz YTYFKEAVGYVHMA-AWEZNQCLSA-N 1 0 307.354 1.027 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@H]1CCCC[C@@H]1O ZINC000579122697 422711256 /nfs/dbraw/zinc/71/12/56/422711256.db2.gz IURBWZAAUWBRGI-OBJOEFQTSA-N 1 0 310.350 1.228 20 5 DDBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000320042352 271025477 /nfs/dbraw/zinc/02/54/77/271025477.db2.gz YCTJHUXKIQDTBD-UZBOCLDFSA-N 1 0 301.346 1.676 20 5 DDBDRO COCC[N@H+](C)CCCNc1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000341553975 271115924 /nfs/dbraw/zinc/11/59/24/271115924.db2.gz WGPARCPMZZGJGY-UHFFFAOYSA-N 1 0 310.354 1.074 20 5 DDBDRO C[N@@H+]1CCCC[C@@H]1CN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000344409786 272017922 /nfs/dbraw/zinc/01/79/22/272017922.db2.gz AMZHUCPXHGRYQC-OAHLLOKOSA-N 1 0 319.409 1.596 20 5 DDBDRO Cc1c(NC(=O)NCCNc2cc[nH+]cc2)cccc1[N+](=O)[O-] ZINC000345781813 272333251 /nfs/dbraw/zinc/33/32/51/272333251.db2.gz WQBNYWFEQNFPBS-UHFFFAOYSA-N 1 0 315.333 1.954 20 5 DDBDRO C[C@@H](CC(N)=O)[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000345848486 272349648 /nfs/dbraw/zinc/34/96/48/272349648.db2.gz JFYWHDLDAGTMID-JTQLQIEISA-N 1 0 317.349 1.349 20 5 DDBDRO CC[NH+](CC)[C@H](C)CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000041911598 273641672 /nfs/dbraw/zinc/64/16/72/273641672.db2.gz MQPQMMHCWLHHAD-SNVBAGLBSA-N 1 0 324.337 1.963 20 5 DDBDRO C[NH2+]C[C@@H]1CCCN([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000430605041 273963999 /nfs/dbraw/zinc/96/39/99/273963999.db2.gz PKGAVFWCUUHKLG-STQMWFEESA-N 1 0 320.393 1.853 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000302074093 274003903 /nfs/dbraw/zinc/00/39/03/274003903.db2.gz GHQUWLTYFVRKEN-GFCCVEGCSA-N 1 0 307.350 1.912 20 5 DDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)CS(C)(=O)=O ZINC000449148626 274231130 /nfs/dbraw/zinc/23/11/30/274231130.db2.gz UBHBUDCAZWKHJU-QWRGUYRKSA-N 1 0 300.380 1.549 20 5 DDBDRO C[C@@H]1CN(c2ccc(N)cc2[N+](=O)[O-])CC[N@@H+]1CC(C)(C)O ZINC000286754033 274363978 /nfs/dbraw/zinc/36/39/78/274363978.db2.gz RWGJHBQEBSEEEN-LLVKDONJSA-N 1 0 308.382 1.458 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCC2([NH3+])CCC2)cc1C ZINC000230053852 274723044 /nfs/dbraw/zinc/72/30/44/274723044.db2.gz FBDAOFQUYYAJKR-UHFFFAOYSA-N 1 0 313.379 1.371 20 5 DDBDRO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000285742674 275011151 /nfs/dbraw/zinc/01/11/51/275011151.db2.gz LBPORQYPDAGMDM-GWCFXTLKSA-N 1 0 319.365 1.407 20 5 DDBDRO O=[N+]([O-])c1ccc(-c2noc(N3CC[C@@H]4C[NH2+]C[C@@H]43)n2)cc1 ZINC000420268590 275034824 /nfs/dbraw/zinc/03/48/24/275034824.db2.gz DPXHVTDIXJXLNK-PWSUYJOCSA-N 1 0 301.306 1.443 20 5 DDBDRO CC[NH+](CC)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000012141569 276099391 /nfs/dbraw/zinc/09/93/91/276099391.db2.gz UOEFOSHQXPBPMJ-UHFFFAOYSA-N 1 0 315.395 1.523 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]([NH3+])[C@H](C)C2)c1 ZINC000422840463 276376615 /nfs/dbraw/zinc/37/66/15/276376615.db2.gz BMOPKDCGMVKXMN-MFKMUULPSA-N 1 0 307.350 1.803 20 5 DDBDRO C[NH2+]CCN(C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000420331739 277270634 /nfs/dbraw/zinc/27/06/34/277270634.db2.gz AARVNSMCHNDUQV-UHFFFAOYSA-N 1 0 300.746 1.338 20 5 DDBDRO Cc1ccc(NCCCNC(=O)C(C)(C)C[NH3+])c([N+](=O)[O-])c1 ZINC000160483373 278834705 /nfs/dbraw/zinc/83/47/05/278834705.db2.gz FFGDYWUXYWIPQZ-UHFFFAOYSA-N 1 0 308.382 1.806 20 5 DDBDRO C[C@H](CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)[N@H+](C)C1CC1 ZINC000181465874 279345298 /nfs/dbraw/zinc/34/52/98/279345298.db2.gz SGSCRUKHOVTNPE-SECBINFHSA-N 1 0 321.333 1.536 20 5 DDBDRO CC[N@H+](CC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)C1CC1 ZINC000119761072 281107265 /nfs/dbraw/zinc/10/72/65/281107265.db2.gz IJGUEVVRGBLXIS-UHFFFAOYSA-N 1 0 303.362 1.964 20 5 DDBDRO C[NH+](C)[C@@H]1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000264003219 289316224 /nfs/dbraw/zinc/31/62/24/289316224.db2.gz SXQKQZLATBERRL-SNVBAGLBSA-N 1 0 321.333 1.142 20 5 DDBDRO [NH3+]CC1(C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)CCCC1 ZINC000423827279 295220743 /nfs/dbraw/zinc/22/07/43/295220743.db2.gz NOKQVJWFXNETAE-UHFFFAOYSA-N 1 0 304.350 1.394 20 5 DDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000423578427 295362780 /nfs/dbraw/zinc/36/27/80/295362780.db2.gz UNLFQWQPMQJDHB-HBNTYKKESA-N 1 0 304.350 1.376 20 5 DDBDRO CNc1c(C(=O)N2CC[NH+]3CCC2CC3)cccc1[N+](=O)[O-] ZINC000356993663 298936979 /nfs/dbraw/zinc/93/69/79/298936979.db2.gz FFSPNPOEMSTTEB-UHFFFAOYSA-N 1 0 304.350 1.557 20 5 DDBDRO COCC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@H]1CC[C@@H](C)C1 ZINC000362153846 300017841 /nfs/dbraw/zinc/01/78/41/300017841.db2.gz GIWMKFKJKPWSKO-KGLIPLIRSA-N 1 0 323.393 1.894 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000362487501 300076299 /nfs/dbraw/zinc/07/62/99/300076299.db2.gz PUUFWPCSQPKNGD-UHFFFAOYSA-N 1 0 313.317 1.591 20 5 DDBDRO C[C@@H](CC[NH+](C)C)NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000362763922 300134316 /nfs/dbraw/zinc/13/43/16/300134316.db2.gz XJNNVZRTZSJOSZ-VIFPVBQESA-N 1 0 315.320 1.872 20 5 DDBDRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000362931672 300181447 /nfs/dbraw/zinc/18/14/47/300181447.db2.gz RWJLHNYEROKIGY-XHDPSFHLSA-N 1 0 303.362 1.677 20 5 DDBDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]2[N+](=O)[O-])C1 ZINC000362972743 300191360 /nfs/dbraw/zinc/19/13/60/300191360.db2.gz ANUWQWHOPWDAFT-QPSCCSFWSA-N 1 0 309.410 1.765 20 5 DDBDRO CC(C)[NH+]1CCN([C@H]2CCN(c3ncccc3[N+](=O)[O-])C2)CC1 ZINC000363918745 300325931 /nfs/dbraw/zinc/32/59/31/300325931.db2.gz HVXWGKUBNDKUSV-AWEZNQCLSA-N 1 0 319.409 1.595 20 5 DDBDRO [NH3+][C@@H]1CCC[C@]12CCN(C(=O)Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000364252111 300362825 /nfs/dbraw/zinc/36/28/25/300362825.db2.gz BZXUIFRXRZLRIK-GDBMZVCRSA-N 1 0 303.362 1.867 20 5 DDBDRO CCCc1n[nH]c(C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000369144147 301136528 /nfs/dbraw/zinc/13/65/28/301136528.db2.gz OFQGBABHUQSSKC-QWRGUYRKSA-N 1 0 321.381 1.627 20 5 DDBDRO Nc1ccc([N+](=O)[O-])c(NC2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000369207578 301145095 /nfs/dbraw/zinc/14/50/95/301145095.db2.gz QBSUTUOUBFBXON-CYBMUJFWSA-N 1 0 306.366 1.842 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000369347284 301169305 /nfs/dbraw/zinc/16/93/05/301169305.db2.gz WPZLJKZNBUIRLY-BXUZGUMPSA-N 1 0 318.377 1.485 20 5 DDBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000370163936 301286440 /nfs/dbraw/zinc/28/64/40/301286440.db2.gz UURHDVPYWKHEFK-DMRZNYOFSA-N 1 0 317.389 1.678 20 5 DDBDRO O=C(NC[C@H]1CCC[C@H]1[NH+]1CCOCC1)c1ccc([N+](=O)[O-])o1 ZINC000370759175 301386660 /nfs/dbraw/zinc/38/66/60/301386660.db2.gz MGZRZMIQMHCJHH-VXGBXAGGSA-N 1 0 323.349 1.419 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000262808409 302050179 /nfs/dbraw/zinc/05/01/79/302050179.db2.gz XNIHRYPAAWKSAO-QWRGUYRKSA-N 1 0 313.379 1.180 20 5 DDBDRO O=[N+]([O-])c1ccc(CN2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1 ZINC000376496366 302084927 /nfs/dbraw/zinc/08/49/27/302084927.db2.gz WPVOEOTUALOYHW-HOTGVXAUSA-N 1 0 305.378 1.626 20 5 DDBDRO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1Nc1ncc([N+](=O)[O-])cn1 ZINC000376928224 302122505 /nfs/dbraw/zinc/12/25/05/302122505.db2.gz YXJKCTPKUCRFLJ-BNOWGMLFSA-N 1 0 321.381 1.686 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CCc1ccncc1 ZINC000521862784 302881570 /nfs/dbraw/zinc/88/15/70/302881570.db2.gz JYNDETKRFUGZOX-CQSZACIVSA-N 1 0 317.345 1.562 20 5 DDBDRO C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000531054930 303227449 /nfs/dbraw/zinc/22/74/49/303227449.db2.gz LXFFABSSLDKSPZ-STQMWFEESA-N 1 0 321.377 1.963 20 5 DDBDRO NC(=O)c1ccnc(N2CCC[C@@H]2C[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000290896432 303349647 /nfs/dbraw/zinc/34/96/47/303349647.db2.gz DKVXQOINZUEMQF-LLVKDONJSA-N 1 0 319.365 1.153 20 5 DDBDRO Nc1c(C(=O)N2CCC3(CC[NH2+]CC3)CC2)cccc1[N+](=O)[O-] ZINC000357859176 306921456 /nfs/dbraw/zinc/92/14/56/306921456.db2.gz NWYZUSQYXIMZLF-UHFFFAOYSA-N 1 0 318.377 1.783 20 5 DDBDRO C[C@H](Sc1nnnn1CC[NH+](C)C)c1ccccc1[N+](=O)[O-] ZINC000361449538 306995532 /nfs/dbraw/zinc/99/55/32/306995532.db2.gz NTOMOMLMKVSDAC-JTQLQIEISA-N 1 0 322.394 1.996 20 5 DDBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](CCN3CCOCC3)C2)cc1 ZINC000364910977 307053731 /nfs/dbraw/zinc/05/37/31/307053731.db2.gz UMYSRMDQMIIRRT-HNNXBMFYSA-N 1 0 320.393 1.413 20 5 DDBDRO CNC(=O)c1ccc(N2CC[C@H]3CC[N@H+](C)C[C@@H]32)c([N+](=O)[O-])c1 ZINC000365018709 307056606 /nfs/dbraw/zinc/05/66/06/307056606.db2.gz ORTLMWBXFZELFR-ABAIWWIYSA-N 1 0 318.377 1.485 20 5 DDBDRO Nc1c(C(=O)N2CC[C@]3(CCC[C@H]3[NH3+])C2)cc(F)cc1[N+](=O)[O-] ZINC000365087391 307058328 /nfs/dbraw/zinc/05/83/28/307058328.db2.gz CLRZBCLKIYNUAY-IUODEOHRSA-N 1 0 322.340 1.660 20 5 DDBDRO [NH3+][C@H]1CCC[C@@]12CCN(C(=O)CNc1ccccc1[N+](=O)[O-])C2 ZINC000365107226 307058683 /nfs/dbraw/zinc/05/86/83/307058683.db2.gz YEQMRQYELFFJDG-HOCLYGCPSA-N 1 0 318.377 1.737 20 5 DDBDRO COC(=O)[C@H]1C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000366655084 307078767 /nfs/dbraw/zinc/07/87/67/307078767.db2.gz PPHGCWNJCJYTCS-KGLIPLIRSA-N 1 0 322.361 1.759 20 5 DDBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])c(F)cc3N)[C@H]2C1 ZINC000367253622 307089796 /nfs/dbraw/zinc/08/97/96/307089796.db2.gz SQYSIDXJDYWSPB-XPTSAGLGSA-N 1 0 322.340 1.482 20 5 DDBDRO C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[C@@H]3[N+](=O)[O-])C[C@@H]2[C@H]1c1ccccc1 ZINC000377824622 307276344 /nfs/dbraw/zinc/27/63/44/307276344.db2.gz UNSLJPGVCHRREJ-RBGFHDKUSA-N 1 0 315.373 1.413 20 5 DDBDRO C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[C@@H]3[N+](=O)[O-])C[C@H]2[C@@H]1c1ccccc1 ZINC000377824623 307276445 /nfs/dbraw/zinc/27/64/45/307276445.db2.gz UNSLJPGVCHRREJ-SUJAAXHWSA-N 1 0 315.373 1.413 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H](C)S(C)(=O)=O ZINC000540141244 307685234 /nfs/dbraw/zinc/68/52/34/307685234.db2.gz GUBRMGHAGBJIOU-QWRGUYRKSA-N 1 0 300.380 1.987 20 5 DDBDRO CO[C@@H]1CC[C@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000564442313 307996999 /nfs/dbraw/zinc/99/69/99/307996999.db2.gz DSLOVBQAEAAWDT-YNEHKIRRSA-N 1 0 310.350 1.492 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCC[NH2+]C(C)C ZINC000565410809 308029783 /nfs/dbraw/zinc/02/97/83/308029783.db2.gz YBDWHPKGRYTIGI-UHFFFAOYSA-N 1 0 322.365 1.346 20 5 DDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@H]2[C@@H]3CCC[C@@H]32)cc1 ZINC000566124238 308044621 /nfs/dbraw/zinc/04/46/21/308044621.db2.gz VFMWWVUEFRKARX-WDNDVIMCSA-N 1 0 310.375 1.757 20 5 DDBDRO COc1ccc(CC(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)cc1[N+](=O)[O-] ZINC000567669775 308089174 /nfs/dbraw/zinc/08/91/74/308089174.db2.gz LVOKJKNQZVMYRK-CMPLNLGQSA-N 1 0 307.350 1.342 20 5 DDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000578731546 308480948 /nfs/dbraw/zinc/48/09/48/308480948.db2.gz FYVFBJKIHUVOLX-CYBMUJFWSA-N 1 0 307.398 1.946 20 5 DDBDRO O=C1CCCN1CC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000579016513 308501708 /nfs/dbraw/zinc/50/17/08/308501708.db2.gz RFBFEHDOOZZUFX-CHWSQXEVSA-N 1 0 321.381 1.487 20 5 DDBDRO CCCC[C@H](C[NH3+])NC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000580532276 308611038 /nfs/dbraw/zinc/61/10/38/308611038.db2.gz FJIRDUPDABIFFW-GFCCVEGCSA-N 1 0 324.381 1.790 20 5 DDBDRO CC1(C[NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000583745960 337328501 /nfs/dbraw/zinc/32/85/01/337328501.db2.gz KCXOAPLYQKIFOX-UHFFFAOYSA-N 1 0 313.379 1.263 20 5 DDBDRO [NH3+]CC12CCC(CC1)CN2C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000584656324 337377966 /nfs/dbraw/zinc/37/79/66/337377966.db2.gz SMDGAULNFMGQKN-UHFFFAOYSA-N 1 0 303.362 1.867 20 5 DDBDRO CC(C)Oc1nc(NC[C@H]2CSCC[NH2+]2)ccc1[N+](=O)[O-] ZINC000603418626 483933791 /nfs/dbraw/zinc/93/37/91/483933791.db2.gz IBAIWXVBSXAMCO-JTQLQIEISA-N 1 0 312.395 1.894 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H](CO)[C@@H]1C ZINC000488805475 484219314 /nfs/dbraw/zinc/21/93/14/484219314.db2.gz SUJWOHPLVDOQEA-QWHCGFSZSA-N 1 0 321.377 1.935 20 5 DDBDRO COc1ccc(NC(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000415436137 534113783 /nfs/dbraw/zinc/11/37/83/534113783.db2.gz JHNDUDIWGNYRJZ-ZYHUDNBSSA-N 1 0 320.349 1.819 20 5 DDBDRO C[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C[NH+](C)C ZINC000292812989 534120584 /nfs/dbraw/zinc/12/05/84/534120584.db2.gz YGNGIIUNEOIWOU-SECBINFHSA-N 1 0 319.358 1.210 20 5 DDBDRO C[C@]12C[N@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000452055514 534189674 /nfs/dbraw/zinc/18/96/74/534189674.db2.gz UMDLCUOOHJWRKQ-UDUPFKKZSA-N 1 0 320.393 1.520 20 5 DDBDRO C[NH2+]C[C@@H]1CCCN1S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000156628155 522051364 /nfs/dbraw/zinc/05/13/64/522051364.db2.gz NBPUCAXAHPDFDL-NSHDSACASA-N 1 0 313.379 1.276 20 5 DDBDRO C[N@@H+]1CC[C@@H](Cn2cc(Br)c(=O)c([N+](=O)[O-])c2)C1 ZINC000191193276 523962287 /nfs/dbraw/zinc/96/22/87/523962287.db2.gz VBDVBOQAUVRPQU-MRVPVSSYSA-N 1 0 316.155 1.471 20 5 DDBDRO CC(C)(NC(=O)COC1CC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1 ZINC000423270330 527268358 /nfs/dbraw/zinc/26/83/58/527268358.db2.gz HUBPMJZPTOWDAY-UHFFFAOYSA-N 1 0 321.377 1.715 20 5 DDBDRO CC(C)(NC(=O)N[C@H](C[NH3+])C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000418455266 527277365 /nfs/dbraw/zinc/27/73/65/527277365.db2.gz GSDZFDJOWXNZDM-CYBMUJFWSA-N 1 0 306.366 1.866 20 5 DDBDRO CC(C)(C)C[C@@H]1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000452080370 527699510 /nfs/dbraw/zinc/69/95/10/527699510.db2.gz ORWXECISVDMYTJ-JSGCOSHPSA-N 1 0 310.398 1.910 20 5 DDBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000330922066 527825781 /nfs/dbraw/zinc/82/57/81/527825781.db2.gz AYAHLIBBVRQIFP-GFCCVEGCSA-N 1 0 323.397 1.327 20 5 DDBDRO CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)C1COC1 ZINC000451285671 528399644 /nfs/dbraw/zinc/39/96/44/528399644.db2.gz LVDIQBORBKUJAA-UHFFFAOYSA-N 1 0 307.350 1.953 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H]([NH2+]C)C2)c1 ZINC000422773540 528610419 /nfs/dbraw/zinc/61/04/19/528610419.db2.gz UJPDXSPSOZGIHO-NSHDSACASA-N 1 0 307.350 1.818 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000423585155 528693329 /nfs/dbraw/zinc/69/33/29/528693329.db2.gz AOQIJIOZDOLELK-WDEREUQCSA-N 1 0 307.350 1.721 20 5 DDBDRO CC[NH+]1CCN(CCCNc2ncc([N+](=O)[O-])cc2F)CC1 ZINC000413054227 529145305 /nfs/dbraw/zinc/14/53/05/529145305.db2.gz MYAWIRHZINWNDB-UHFFFAOYSA-N 1 0 311.361 1.568 20 5 DDBDRO C[N@@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000736846951 598810076 /nfs/dbraw/zinc/81/00/76/598810076.db2.gz DFFLGBVPQQDTQU-SECBINFHSA-N 1 0 303.326 1.139 20 5 DDBDRO C[NH+](C)CC(C)(C)CNc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000821583386 599449016 /nfs/dbraw/zinc/44/90/16/599449016.db2.gz TXSBFNRFXGTTKA-UHFFFAOYSA-N 1 0 320.357 1.170 20 5 DDBDRO CC(C)[N@H+](C)CCCNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC000820112296 607168347 /nfs/dbraw/zinc/16/83/47/607168347.db2.gz QQGRCYCCSBPHLP-UHFFFAOYSA-N 1 0 320.357 1.312 20 5 DDBDRO C[NH+](C)C(C)(C)CNC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000745837804 699997190 /nfs/dbraw/zinc/99/71/90/699997190.db2.gz GFPLZTMLBMMJTO-UHFFFAOYSA-N 1 0 313.329 1.569 20 5 DDBDRO [NH3+]C[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000050246586 696229678 /nfs/dbraw/zinc/22/96/78/696229678.db2.gz OPXOAGQFSPVRDQ-MRVPVSSYSA-N 1 0 319.770 1.218 20 5 DDBDRO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C[C@H](C)[NH2+]1 ZINC000153604035 696918807 /nfs/dbraw/zinc/91/88/07/696918807.db2.gz SNSMFSRAOONHDN-IUCAKERBSA-N 1 0 308.294 1.325 20 5 DDBDRO COC(=O)[C@]1(C)CC[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000177212803 697410821 /nfs/dbraw/zinc/41/08/21/697410821.db2.gz JPSVRABOQQTTFA-OAHLLOKOSA-N 1 0 318.333 1.787 20 5 DDBDRO COCC[N@H+]1[C@H](C)CN(c2nc(C)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000178589376 697426666 /nfs/dbraw/zinc/42/66/66/697426666.db2.gz BZQBLWSTBISTGU-BETUJISGSA-N 1 0 308.382 1.844 20 5 DDBDRO COCC(=O)N1CCC([N@H+](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000985189338 697464932 /nfs/dbraw/zinc/46/49/32/697464932.db2.gz LTOOHDMQCVGPHV-UHFFFAOYSA-N 1 0 321.377 1.664 20 5 DDBDRO CC(C)([NH3+])CNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000236647206 697797206 /nfs/dbraw/zinc/79/72/06/697797206.db2.gz NJDASDRIBAKTEP-UHFFFAOYSA-N 1 0 307.759 1.264 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CC[C@@H]([C@@H]3CCOC3)C2)cc1 ZINC000776591749 698123820 /nfs/dbraw/zinc/12/38/20/698123820.db2.gz WMRATURRMVCFQH-IIAWOOMASA-N 1 0 306.362 1.987 20 5 DDBDRO O=C1CCCN1[C@H]1CC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776596659 698124730 /nfs/dbraw/zinc/12/47/30/698124730.db2.gz HJOGIWSAIQDWNO-LSDHHAIUSA-N 1 0 319.361 1.325 20 5 DDBDRO C[C@H](O)C[N@@H+]1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000800374537 700219056 /nfs/dbraw/zinc/21/90/56/700219056.db2.gz RTVUHMXMGJIIPE-DVOMOZLQSA-N 1 0 323.393 1.015 20 5 DDBDRO O=C(CC[N@H+]1C[C@@H]2C[C@]2(CO)C1)Nc1ccccc1[N+](=O)[O-] ZINC000782620088 698752372 /nfs/dbraw/zinc/75/23/72/698752372.db2.gz KLYFJVCRADUSST-XHDPSFHLSA-N 1 0 305.334 1.238 20 5 DDBDRO Cc1cc(N2CCCNC(=O)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000782947353 698787822 /nfs/dbraw/zinc/78/78/22/698787822.db2.gz JSLSROYFZUVJHX-UHFFFAOYSA-N 1 0 300.318 1.778 20 5 DDBDRO COCC[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCOC1 ZINC000786190895 699133060 /nfs/dbraw/zinc/13/30/60/699133060.db2.gz OOXHKPMGVAPKSV-LSDHHAIUSA-N 1 0 310.350 1.366 20 5 DDBDRO [NH3+]C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)C(F)(F)F ZINC000702051809 699228197 /nfs/dbraw/zinc/22/81/97/699228197.db2.gz VSRAUUZZDUOFPN-QMMMGPOBSA-N 1 0 311.647 1.868 20 5 DDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@]23CC[NH2+]C3)cc1 ZINC000725374128 699331531 /nfs/dbraw/zinc/33/15/31/699331531.db2.gz HFYMBLSIIVDOCE-ZDUSSCGKSA-N 1 0 311.363 1.111 20 5 DDBDRO Cc1c(CNC(=S)NCCC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000790332988 699454003 /nfs/dbraw/zinc/45/40/03/699454003.db2.gz HQKFTFMNZROETD-UHFFFAOYSA-N 1 0 310.423 1.819 20 5 DDBDRO Cc1c(CN(CCO)C2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000729930874 699495432 /nfs/dbraw/zinc/49/54/32/699495432.db2.gz ZZVJPZOYIVUEIG-UHFFFAOYSA-N 1 0 307.394 1.792 20 5 DDBDRO C[C@H](CN1CC[NH+](C)CC1)Nc1nc2ccccn2c1[N+](=O)[O-] ZINC000730109459 699501992 /nfs/dbraw/zinc/50/19/92/699501992.db2.gz RVVKMGZAXFXPDF-GFCCVEGCSA-N 1 0 318.381 1.290 20 5 DDBDRO CNC(=O)c1ccc(N2CCC[C@H](C[NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000732804029 699571654 /nfs/dbraw/zinc/57/16/54/699571654.db2.gz SXVTXRAKTCBETD-GFCCVEGCSA-N 1 0 320.393 1.732 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1CCC[C@@H]1C ZINC000742237816 699868623 /nfs/dbraw/zinc/86/86/23/699868623.db2.gz PWVYBDFHSCSTBJ-NSHDSACASA-N 1 0 307.350 1.818 20 5 DDBDRO C[C@@H]1CC[N@H+](CCNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000801914237 700352566 /nfs/dbraw/zinc/35/25/66/700352566.db2.gz UVKVENPCZWWDKD-SECBINFHSA-N 1 0 310.329 1.388 20 5 DDBDRO CC(C)[N@@H+]1CCO[C@@H](COC(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000802139491 700372544 /nfs/dbraw/zinc/37/25/44/700372544.db2.gz CQNBCHBRSRLAEK-OAHLLOKOSA-N 1 0 322.361 1.790 20 5 DDBDRO Cc1cc(C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)c(N)c([N+](=O)[O-])c1 ZINC000758336341 700699677 /nfs/dbraw/zinc/69/96/77/700699677.db2.gz PVEFHNWFDPSHDM-ZWNOBZJWSA-N 1 0 318.377 1.698 20 5 DDBDRO Cn1cc([C@H](O)C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)cn1 ZINC000761527291 700862691 /nfs/dbraw/zinc/86/26/91/700862691.db2.gz SCZQSBXVYQBUFK-CYBMUJFWSA-N 1 0 310.741 1.805 20 5 DDBDRO Cc1c(NC(=O)CC[NH2+][C@H](CCO)C2CC2)cccc1[N+](=O)[O-] ZINC000763070093 700924025 /nfs/dbraw/zinc/92/40/25/700924025.db2.gz WFERYYRUMHHHQP-CQSZACIVSA-N 1 0 321.377 1.982 20 5 DDBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N[C@H](CO)C[NH+]1CCCC1 ZINC000808223812 701509341 /nfs/dbraw/zinc/50/93/41/701509341.db2.gz ZKNZGPVZFSLHFI-GPAKFWEMSA-N 1 0 319.361 1.181 20 5 DDBDRO Cn1ncc2c1CCC[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC000839625067 701757586 /nfs/dbraw/zinc/75/75/86/701757586.db2.gz MFZPWDKSWYOQHO-MRXNPFEDSA-N 1 0 316.361 1.810 20 5 DDBDRO C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000839689177 701785050 /nfs/dbraw/zinc/78/50/50/701785050.db2.gz LEFMFKBVTJFPDQ-SFTQSGBHSA-N 1 0 323.418 1.912 20 5 DDBDRO Cc1cc(NC(=O)[C@@H]2CC2[N+](=O)[O-])ccc1OCC[NH+](C)C ZINC000839796372 701829977 /nfs/dbraw/zinc/82/99/77/701829977.db2.gz DJFDQEWJJBFRCI-CHWSQXEVSA-N 1 0 307.350 1.539 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)O[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000810841888 701859151 /nfs/dbraw/zinc/85/91/51/701859151.db2.gz RCVGLIZQNKHORD-GHMZBOCLSA-N 1 0 308.338 1.595 20 5 DDBDRO COCCC1(NC(=O)c2csc([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000868041387 701907275 /nfs/dbraw/zinc/90/72/75/701907275.db2.gz UVMMYBXHDWRRNW-UHFFFAOYSA-N 1 0 313.379 1.545 20 5 DDBDRO CN1CC[NH+](C2CCN(c3c(F)cccc3[N+](=O)[O-])CC2)CC1 ZINC000866211895 706650478 /nfs/dbraw/zinc/65/04/78/706650478.db2.gz ABMJLASBRPCAFA-UHFFFAOYSA-N 1 0 322.384 1.950 20 5 DDBDRO O=C(NC[C@@H]1C[NH2+]CCO1)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000841104261 702348275 /nfs/dbraw/zinc/34/82/75/702348275.db2.gz WERVGVWSNKKBOX-VIFPVBQESA-N 1 0 314.729 1.358 20 5 DDBDRO [NH3+]C1(CNC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CCC1 ZINC000841856187 702589740 /nfs/dbraw/zinc/58/97/40/702589740.db2.gz PZTKBHMAWPTEJO-UHFFFAOYSA-N 1 0 312.757 1.929 20 5 DDBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCNC1=O ZINC000866373766 706684272 /nfs/dbraw/zinc/68/42/72/706684272.db2.gz RZYIPZKYNBCTOM-JQWIXIFHSA-N 1 0 309.341 1.781 20 5 DDBDRO CC1(C)C[NH2+]CC[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000842484241 702727656 /nfs/dbraw/zinc/72/76/56/702727656.db2.gz YMYCPUYOFPVWEJ-QMMMGPOBSA-N 1 0 319.408 1.323 20 5 DDBDRO CC(C)COC[C@H](O)C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843070638 702813112 /nfs/dbraw/zinc/81/31/12/702813112.db2.gz WIUWZLVCLCRCHA-CABCVRRESA-N 1 0 312.366 1.251 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2CCCN(CCCO)C2)c1 ZINC000843097372 702818536 /nfs/dbraw/zinc/81/85/36/702818536.db2.gz YDBAQLYJCJKEAB-GDBMZVCRSA-N 1 0 323.393 1.065 20 5 DDBDRO COc1ccc(CSCc2nc(CC[NH3+])no2)cc1[N+](=O)[O-] ZINC000843130731 702825662 /nfs/dbraw/zinc/82/56/62/702825662.db2.gz IDIHNINZDHDYCY-UHFFFAOYSA-N 1 0 324.362 1.921 20 5 DDBDRO C[C@@H]1C[NH2+]CCN1C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000843323145 702859260 /nfs/dbraw/zinc/85/92/60/702859260.db2.gz LWKOUQMFAXIAPU-MRVPVSSYSA-N 1 0 315.732 1.750 20 5 DDBDRO [NH3+][C@H]1CCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC000843326193 702859727 /nfs/dbraw/zinc/85/97/27/702859727.db2.gz YFEOYJKXMSGVHK-QMMMGPOBSA-N 1 0 301.705 1.489 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)NCCC[NH2+]C(C)C)cc1[N+](=O)[O-] ZINC000843336771 702861896 /nfs/dbraw/zinc/86/18/96/702861896.db2.gz KNULFNPKVWPMHW-UHFFFAOYSA-N 1 0 324.337 1.929 20 5 DDBDRO C[NH2+][C@H]1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000843344460 702863347 /nfs/dbraw/zinc/86/33/47/702863347.db2.gz FLURARFLAMFUHJ-JTQLQIEISA-N 1 0 310.329 1.356 20 5 DDBDRO Nc1ccc(C(=O)N[C@H]2CC[NH2+]C3(CCC3)C2)cc1[N+](=O)[O-] ZINC000843505317 702896619 /nfs/dbraw/zinc/89/66/19/702896619.db2.gz JLOJMLVMOQBGHN-NSHDSACASA-N 1 0 304.350 1.582 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@H](CCO)C2CC2)c1 ZINC000844319207 703012491 /nfs/dbraw/zinc/01/24/91/703012491.db2.gz VROHUSXBARKIHR-CYBMUJFWSA-N 1 0 308.334 1.632 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000844441828 703032115 /nfs/dbraw/zinc/03/21/15/703032115.db2.gz UJRPJMOVKOXMNE-ZDUSSCGKSA-N 1 0 313.304 1.878 20 5 DDBDRO C[N@@H+]1CC[C@H]2CN(Cc3ccc(C(N)=O)cc3[N+](=O)[O-])CC[C@H]21 ZINC000879574460 706723722 /nfs/dbraw/zinc/72/37/22/706723722.db2.gz AAQVEZOWIHEPMO-UONOGXRCSA-N 1 0 318.377 1.220 20 5 DDBDRO O=[N+]([O-])c1ccc(C[NH2+]CC[C@@]2(O)CCOC2)cc1Cl ZINC000846050161 703231232 /nfs/dbraw/zinc/23/12/32/703231232.db2.gz RHEAHIHGPHBWGH-CYBMUJFWSA-N 1 0 300.742 1.879 20 5 DDBDRO CCON(C)C(=O)C[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000846063365 703232714 /nfs/dbraw/zinc/23/27/14/703232714.db2.gz GSRINERESXLSKK-GFCCVEGCSA-N 1 0 309.366 1.915 20 5 DDBDRO CC(C)C[N@H+](C)CCCNC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000846291890 703262716 /nfs/dbraw/zinc/26/27/16/703262716.db2.gz VBOLGYMSDJCGFY-UHFFFAOYSA-N 1 0 308.382 1.885 20 5 DDBDRO COCC[NH+]1CCC(OC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000847880707 703480179 /nfs/dbraw/zinc/48/01/79/703480179.db2.gz TVJMHWTXUAWWFU-UHFFFAOYSA-N 1 0 308.334 1.862 20 5 DDBDRO CON(C)CC[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000850481172 703733328 /nfs/dbraw/zinc/73/33/28/703733328.db2.gz YLYQNNGIFYVSEE-NSHDSACASA-N 1 0 310.354 1.395 20 5 DDBDRO O=C(CN1C[C@@H]2C[C@H]1C[NH2+]2)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000866679041 706762361 /nfs/dbraw/zinc/76/23/61/706762361.db2.gz IJDSPCZNUDFXTA-UWVGGRQHSA-N 1 0 310.741 1.233 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000866720573 706775175 /nfs/dbraw/zinc/77/51/75/706775175.db2.gz MNISNRRXUDPKFS-STQMWFEESA-N 1 0 318.377 1.668 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000866720832 706775696 /nfs/dbraw/zinc/77/56/96/706775696.db2.gz OOJGJMIKEIVYSX-UKRRQHHQSA-N 1 0 318.377 1.668 20 5 DDBDRO COCC1(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000819325736 704107706 /nfs/dbraw/zinc/10/77/06/704107706.db2.gz GHXMWNGIDXUMTP-HNNXBMFYSA-N 1 0 324.377 1.661 20 5 DDBDRO C[C@@H](C[C@H]1CCCC[N@@H+]1C)OC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000870786401 704131993 /nfs/dbraw/zinc/13/19/93/704131993.db2.gz WHMOJTVPMRIXPL-WDEREUQCSA-N 1 0 310.354 1.748 20 5 DDBDRO C[NH+]1CCC2(CCN(C(=O)c3cc([N+](=O)[O-])ccc3N)C2)CC1 ZINC000819924748 704187091 /nfs/dbraw/zinc/18/70/91/704187091.db2.gz ASMHBWJSLQLOHA-UHFFFAOYSA-N 1 0 318.377 1.735 20 5 DDBDRO COCC(C)(C)[NH+]1CCN(c2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000819941971 704189870 /nfs/dbraw/zinc/18/98/70/704189870.db2.gz CYCHUDLLPOHBJZ-UHFFFAOYSA-N 1 0 308.382 1.724 20 5 DDBDRO C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000854643234 704431667 /nfs/dbraw/zinc/43/16/67/704431667.db2.gz SEOIQYUICYJEOH-OLZOCXBDSA-N 1 0 313.398 1.144 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N(C)CC1C[NH+](C)C1 ZINC000855639687 704494214 /nfs/dbraw/zinc/49/42/14/704494214.db2.gz LWCBAJKDBBUCHA-UHFFFAOYSA-N 1 0 306.366 1.294 20 5 DDBDRO C[NH2+][C@@H]1CCN(C(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000857762914 704621773 /nfs/dbraw/zinc/62/17/73/704621773.db2.gz IEDWYSPQDRFZAN-SECBINFHSA-N 1 0 315.276 1.387 20 5 DDBDRO CC[C@@H]([NH3+])CNC(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857765064 704621965 /nfs/dbraw/zinc/62/19/65/704621965.db2.gz KAIXXDJOZUOZLH-MRVPVSSYSA-N 1 0 303.265 1.420 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000874827077 705185516 /nfs/dbraw/zinc/18/55/16/705185516.db2.gz AXDOFSOVTYSJAD-UONOGXRCSA-N 1 0 319.361 1.912 20 5 DDBDRO Cc1cc(-c2noc(C[C@H]3COCC[NH2+]3)n2)cc([N+](=O)[O-])c1 ZINC000823270385 705189020 /nfs/dbraw/zinc/18/90/20/705189020.db2.gz REYJUMGUVPQXTE-NSHDSACASA-N 1 0 304.306 1.484 20 5 DDBDRO C[N@@H+]1CCC[C@H](CNC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000823993249 705350641 /nfs/dbraw/zinc/35/06/41/705350641.db2.gz BQFYITKEEGOAGK-SNVBAGLBSA-N 1 0 307.354 1.640 20 5 DDBDRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000893877408 710870755 /nfs/dbraw/zinc/87/07/55/710870755.db2.gz WRCHCWUTQHRLMY-ZFWWWQNUSA-N 1 0 318.377 1.483 20 5 DDBDRO C[NH+](C)C[C@H](CO)NC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000861719174 705550676 /nfs/dbraw/zinc/55/06/76/705550676.db2.gz XWIIEZCOZSXPNV-GFCCVEGCSA-N 1 0 317.345 1.400 20 5 DDBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000862725281 705785466 /nfs/dbraw/zinc/78/54/66/705785466.db2.gz XIEMTASGAXGOAJ-CYBMUJFWSA-N 1 0 317.349 1.155 20 5 DDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@H]3CCN4CCCC[C@@H]34)C2)c1 ZINC000876935842 705929875 /nfs/dbraw/zinc/92/98/75/705929875.db2.gz RSPZKJAHXJSICT-FWIFWCIWSA-N 1 0 305.382 1.711 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3c(F)cccc3[N+](=O)[O-])CC[C@@H]21 ZINC000827216575 705952079 /nfs/dbraw/zinc/95/20/79/705952079.db2.gz ASGRMCVTMMEIEB-PWSUYJOCSA-N 1 0 307.325 1.900 20 5 DDBDRO C[C@@H]([NH3+])CN(C)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000863565794 705959178 /nfs/dbraw/zinc/95/91/78/705959178.db2.gz VCPKRYUDHQQLNZ-MRVPVSSYSA-N 1 0 300.746 1.466 20 5 DDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]CCCOC[C@@H]3CCOC3)C2)c1 ZINC000877059027 705974077 /nfs/dbraw/zinc/97/40/77/705974077.db2.gz JAUACMUCVMJFRN-HSBZDZAISA-N 1 0 324.381 1.528 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3F)CC[C@H]21 ZINC000827339435 705979974 /nfs/dbraw/zinc/97/99/74/705979974.db2.gz TUPMZCUBSQPLLA-QMTHXVAHSA-N 1 0 307.325 1.900 20 5 DDBDRO CC(C)[C@H]1CN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000827499514 706015174 /nfs/dbraw/zinc/01/51/74/706015174.db2.gz GYCMKOLMYRYKLK-CQSZACIVSA-N 1 0 306.366 1.589 20 5 DDBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1F)N1CC[NH+](C)CC1 ZINC000827579966 706030376 /nfs/dbraw/zinc/03/03/76/706030376.db2.gz NEWPRQOIXZDTBW-NSHDSACASA-N 1 0 324.356 1.100 20 5 DDBDRO [NH3+][C@H]1C[C@@H](CNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC000877242677 706030892 /nfs/dbraw/zinc/03/08/92/706030892.db2.gz VTOZDMWMWFCATP-OTSSQURYSA-N 1 0 315.732 1.783 20 5 DDBDRO O=C(CNc1ccccc1[N+](=O)[O-])N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877280365 706046493 /nfs/dbraw/zinc/04/64/93/706046493.db2.gz HAAMCTDGTVWDJP-WCQYABFASA-N 1 0 304.350 1.360 20 5 DDBDRO COC[C@H](O)C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872071218 707287931 /nfs/dbraw/zinc/28/79/31/707287931.db2.gz ZXMVTIIRXADMFQ-GXSJLCMTSA-N 1 0 300.380 1.975 20 5 DDBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCOC[C@H]2O)cc1[N+](=O)[O-] ZINC000872141556 707298514 /nfs/dbraw/zinc/29/85/14/707298514.db2.gz YKDZXQLJJNIMNX-MPKXVKKWSA-N 1 0 310.350 1.794 20 5 DDBDRO CC1(C)CCCN1CC[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877577684 706147628 /nfs/dbraw/zinc/14/76/28/706147628.db2.gz YVPHIESJNAYOSY-UHFFFAOYSA-N 1 0 307.398 1.959 20 5 DDBDRO O=C1[C@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C[C@H]2CCCCN12 ZINC000877579352 706148301 /nfs/dbraw/zinc/14/83/01/706148301.db2.gz PMLOFAZWDXLWPQ-YFTKGUKSSA-N 1 0 319.365 1.238 20 5 DDBDRO C[NH+](C)C[C@@]1(O)CCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000878868107 706520123 /nfs/dbraw/zinc/52/01/23/706520123.db2.gz LJWFBBHSXYSQQC-HOTGVXAUSA-N 1 0 323.393 1.017 20 5 DDBDRO CC(C)(O)[C@H]1CC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000880148202 706892895 /nfs/dbraw/zinc/89/28/95/706892895.db2.gz SYCXPVRGVVWPLU-QWHCGFSZSA-N 1 0 324.377 1.427 20 5 DDBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000926945094 712921698 /nfs/dbraw/zinc/92/16/98/712921698.db2.gz SXWODINYEMKDHY-KTMIJUKYSA-N 1 0 304.346 1.976 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CC2CCC3(CC3)CC2)c1 ZINC000872223605 707336253 /nfs/dbraw/zinc/33/62/53/707336253.db2.gz UQYOXPVDYBDTKP-CQSZACIVSA-N 1 0 308.382 1.712 20 5 DDBDRO CC(C)(C[NH+]1CCCC1)NC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000837173135 707591051 /nfs/dbraw/zinc/59/10/51/707591051.db2.gz WYIXHVSTEFLRSI-UHFFFAOYSA-N 1 0 324.356 1.920 20 5 DDBDRO CC1(C)CCC[N@@H+]1CCNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000837175600 707592106 /nfs/dbraw/zinc/59/21/06/707592106.db2.gz UPPYIFJPUDHEBD-CQSZACIVSA-N 1 0 321.377 1.619 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@]1(OCCO)CCOC1 ZINC000873135992 707745390 /nfs/dbraw/zinc/74/53/90/707745390.db2.gz RQYGPIFHOXVBMI-INIZCTEOSA-N 1 0 324.377 1.469 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CCOC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC000873359546 707824048 /nfs/dbraw/zinc/82/40/48/707824048.db2.gz DAWIKOCOQCYAJV-AWEZNQCLSA-N 1 0 324.381 1.763 20 5 DDBDRO CC[N@@H+]1CC[C@H]1CNc1ccc([N+](=O)[O-])cc1C(=O)NC1CC1 ZINC000882957618 707871102 /nfs/dbraw/zinc/87/11/02/707871102.db2.gz HKAOYMRMEVMAMK-ZDUSSCGKSA-N 1 0 318.377 1.993 20 5 DDBDRO CS(=O)(=O)[C@H]1C[C@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000883378972 707987964 /nfs/dbraw/zinc/98/79/64/707987964.db2.gz HSFDICBPOVUDGD-INJBESJKSA-N 1 0 310.375 1.773 20 5 DDBDRO CON1CCC([N@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000839132348 708028944 /nfs/dbraw/zinc/02/89/44/708028944.db2.gz ZMPRYHDPQHWBPE-OAHLLOKOSA-N 1 0 309.366 1.586 20 5 DDBDRO COc1cccc([C@@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[NH+](C)C)c1 ZINC000839462493 708049265 /nfs/dbraw/zinc/04/92/65/708049265.db2.gz QKNPISCLTQTCHQ-MGPQQGTHSA-N 1 0 307.350 1.079 20 5 DDBDRO CC[N@H+](CCC(N)=O)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000896715764 708127696 /nfs/dbraw/zinc/12/76/96/708127696.db2.gz XHOJHQIANQZAJO-UHFFFAOYSA-N 1 0 317.292 1.894 20 5 DDBDRO C[C@H](CNC(=O)N(C)CC[NH+](C)C)c1ccccc1[N+](=O)[O-] ZINC000897067612 708222432 /nfs/dbraw/zinc/22/24/32/708222432.db2.gz NHRYCZFYRLXMPP-GFCCVEGCSA-N 1 0 308.382 1.901 20 5 DDBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)[C@@]12CC[N@H+](C1)CCC2 ZINC000897241649 708266677 /nfs/dbraw/zinc/26/66/77/708266677.db2.gz PDCIICYBFBWPOS-INIZCTEOSA-N 1 0 303.362 1.739 20 5 DDBDRO O=[N+]([O-])c1cnc(N2CC([N@@H+]3CC[C@@H](O)C3)C2)c2ccccc21 ZINC000884541585 708325841 /nfs/dbraw/zinc/32/58/41/708325841.db2.gz ITSUGLXAKCXZSG-GFCCVEGCSA-N 1 0 314.345 1.398 20 5 DDBDRO C[C@@H](CS(C)(=O)=O)[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000897463779 708339272 /nfs/dbraw/zinc/33/92/72/708339272.db2.gz IUPMBQXLMGXPJX-MNOVXSKESA-N 1 0 300.380 1.721 20 5 DDBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+][C@H]1CC13CC(O)C3)OCCO2 ZINC000897851829 708470172 /nfs/dbraw/zinc/47/01/72/708470172.db2.gz DXVOGPUEEPWQTQ-CUMGRINNSA-N 1 0 306.318 1.369 20 5 DDBDRO O=[N+]([O-])c1ncccc1C[NH2+][C@H]([C@@H]1CCCO1)C1(CO)CCC1 ZINC000886273752 708734171 /nfs/dbraw/zinc/73/41/71/708734171.db2.gz GBTMUOKAVPXDSJ-UONOGXRCSA-N 1 0 321.377 1.790 20 5 DDBDRO CCC1([NH+]2CCC2)CCN(Cc2cn(C)nc2[N+](=O)[O-])CC1 ZINC000886719655 708821657 /nfs/dbraw/zinc/82/16/57/708821657.db2.gz CCCIDKAVASIRBL-UHFFFAOYSA-N 1 0 307.398 1.779 20 5 DDBDRO C[N@@H+]1C[C@@H]2CN(C(=O)c3ccc(N)c([N+](=O)[O-])c3)C[C@]2(C)C1 ZINC000887938930 709173500 /nfs/dbraw/zinc/17/35/00/709173500.db2.gz GYUUFGBCQGVMBU-ABAIWWIYSA-N 1 0 304.350 1.201 20 5 DDBDRO Cc1ccc(NC(=O)C2C[NH+](C3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000899911974 709235441 /nfs/dbraw/zinc/23/54/41/709235441.db2.gz XKIKUDUNKPNMHC-UHFFFAOYSA-N 1 0 319.361 1.953 20 5 DDBDRO CNc1c(C(=O)N2CC[C@H]([NH+]3CCC3)C2)cccc1[N+](=O)[O-] ZINC000912909969 713121029 /nfs/dbraw/zinc/12/10/29/713121029.db2.gz KWPGFMKIUYRUBR-NSHDSACASA-N 1 0 304.350 1.557 20 5 DDBDRO O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912920373 713124590 /nfs/dbraw/zinc/12/45/90/713124590.db2.gz UQZRHTDTZWTZEK-GFCCVEGCSA-N 1 0 314.345 1.996 20 5 DDBDRO CC[N@@H+]1CCCN(C(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])[C@H](C)C1 ZINC000910279572 709861256 /nfs/dbraw/zinc/86/12/56/709861256.db2.gz BPCCTTVZPLDKQV-LLVKDONJSA-N 1 0 323.397 1.998 20 5 DDBDRO O=[N+]([O-])c1ccccc1-c1cc(CCN2CC[NH2+]CC2)on1 ZINC000901393765 710029088 /nfs/dbraw/zinc/02/90/88/710029088.db2.gz CJAVYRNTLRUJKR-UHFFFAOYSA-N 1 0 302.334 1.698 20 5 DDBDRO C[NH+](C)CC1CCN(c2ccc3nonc3c2[N+](=O)[O-])CC1 ZINC000891884469 710316885 /nfs/dbraw/zinc/31/68/85/710316885.db2.gz XXTIHLPALKCEET-UHFFFAOYSA-N 1 0 305.338 1.909 20 5 DDBDRO COc1c(O)ccc(C[NH2+][C@@H]2CN(C3CC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000893133769 710559700 /nfs/dbraw/zinc/55/97/00/710559700.db2.gz COJGWQMCISCXIG-ZWNOBZJWSA-N 1 0 321.377 1.881 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@]2(C)C[N@@H+](C)C[C@]2(C)C1 ZINC000913293488 713193509 /nfs/dbraw/zinc/19/35/09/713193509.db2.gz PATJYUHJFIAELW-IYBDPMFKSA-N 1 0 318.377 1.712 20 5 DDBDRO Cn1cncc1CCCn1cnc2sc([N+](=O)[O-])cc2c1=O ZINC000902398255 710741708 /nfs/dbraw/zinc/74/17/08/710741708.db2.gz WKAJPOXFZCFEHK-UHFFFAOYSA-N 1 0 319.346 1.733 20 5 DDBDRO COc1cc([C@H](C)[NH2+]CCN2CCNC2=O)cc([N+](=O)[O-])c1 ZINC000903218132 711069632 /nfs/dbraw/zinc/06/96/32/711069632.db2.gz AXKQOQNXJNYJTK-JTQLQIEISA-N 1 0 308.338 1.279 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@]1(CO)COCCN1C ZINC000903282454 711087664 /nfs/dbraw/zinc/08/76/64/711087664.db2.gz UCKHLHASZQFUDU-CZUORRHYSA-N 1 0 323.393 1.247 20 5 DDBDRO COC(=O)[C@@H]1[C@@H](C[NH2+]CCc2cccc([N+](=O)[O-])c2)C1(F)F ZINC000894365619 711089523 /nfs/dbraw/zinc/08/95/23/711089523.db2.gz DZVMKRYZHQGARA-NEPJUHHUSA-N 1 0 314.288 1.781 20 5 DDBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1cnc2n1CCOC2 ZINC000894390631 711099711 /nfs/dbraw/zinc/09/97/11/711099711.db2.gz HICMAHNHTCPDQA-UHFFFAOYSA-N 1 0 316.361 1.996 20 5 DDBDRO [NH3+]CCN(Cc1cnc2n1CCOC2)c1ccc([N+](=O)[O-])cc1 ZINC000894454032 711127874 /nfs/dbraw/zinc/12/78/74/711127874.db2.gz KTLBYAVYFUYVJL-UHFFFAOYSA-N 1 0 317.349 1.287 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H]1CC[NH2+]C12CCC2 ZINC000903465942 711135222 /nfs/dbraw/zinc/13/52/22/711135222.db2.gz NSFNJDYANQEDAV-CQSZACIVSA-N 1 0 318.377 1.716 20 5 DDBDRO O=C(NCc1ccccc1[N+](=O)[O-])c1ccc2c(n1)C[NH2+]CC2 ZINC000912256767 711249035 /nfs/dbraw/zinc/24/90/35/711249035.db2.gz YNDGDQKEMBVPRM-UHFFFAOYSA-N 1 0 312.329 1.566 20 5 DDBDRO O=[N+]([O-])c1cccc(CN2CC[NH2+]CCC23CCOCC3)c1 ZINC000903814627 711289534 /nfs/dbraw/zinc/28/95/34/711289534.db2.gz OBDXBBQHLNYGHA-UHFFFAOYSA-N 1 0 305.378 1.939 20 5 DDBDRO O=[N+]([O-])c1cccc2c1CCN(C[C@H]1CC3(C[NH2+]C3)CO1)C2 ZINC000903883551 711315831 /nfs/dbraw/zinc/31/58/31/711315831.db2.gz XPQZZZVGMWKXRQ-CYBMUJFWSA-N 1 0 303.362 1.331 20 5 DDBDRO C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)[NH2+]CC[N+](=O)[O-] ZINC000905088718 711932468 /nfs/dbraw/zinc/93/24/68/711932468.db2.gz KJTWAZHTTLPHOU-ZDUSSCGKSA-N 1 0 320.393 1.870 20 5 DDBDRO CCN1CC[C@H]1C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000905443288 712039215 /nfs/dbraw/zinc/03/92/15/712039215.db2.gz YVXJJAMSTGFJRV-QWHCGFSZSA-N 1 0 309.366 1.018 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CC2CC3(C2)OCCO3)c1 ZINC000905591701 712088099 /nfs/dbraw/zinc/08/80/99/712088099.db2.gz JYGOFSOVRULONM-AWEZNQCLSA-N 1 0 308.334 1.371 20 5 DDBDRO C[C@H]1[C@H](NC(=O)NCCNc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000913930634 713321457 /nfs/dbraw/zinc/32/14/57/713321457.db2.gz KEDWXUQPKIHLSM-SMDDNHRTSA-N 1 0 321.381 1.399 20 5 DDBDRO CCC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC)CC1 ZINC000917386992 713495744 /nfs/dbraw/zinc/49/57/44/713495744.db2.gz FBPFQNJPCXBLBY-UHFFFAOYSA-N 1 0 306.366 1.486 20 5 DDBDRO CON1CC[C@@H]([N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1=O ZINC000930636364 713883326 /nfs/dbraw/zinc/88/33/26/713883326.db2.gz GAKYIBRVBFDQKW-DZGCQCFKSA-N 1 0 319.361 1.937 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2cnn(CC3CCC3)c2)c1 ZINC000921861245 713888321 /nfs/dbraw/zinc/88/83/21/713888321.db2.gz GRJFQTYHTGHECL-UHFFFAOYSA-N 1 0 304.354 1.578 20 5 DDBDRO CN1CC[C@@H]1C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000922575757 714092153 /nfs/dbraw/zinc/09/21/53/714092153.db2.gz MVPWKXHOERSNPX-LLVKDONJSA-N 1 0 301.293 1.990 20 5 DDBDRO COC[C@H](C)OC[C@H](O)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000932178373 714279749 /nfs/dbraw/zinc/27/97/49/714279749.db2.gz ZMVNOKNCWLRJBS-YWPYICTPSA-N 1 0 312.366 1.658 20 5 DDBDRO CCCN(C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000923288278 714298781 /nfs/dbraw/zinc/29/87/81/714298781.db2.gz ZMPDGZKYQPYBKU-KGLIPLIRSA-N 1 0 323.393 1.408 20 5 DDBDRO C[C@H]1CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000932346795 714315162 /nfs/dbraw/zinc/31/51/62/714315162.db2.gz KUWZHCYPKDBHCG-STQMWFEESA-N 1 0 310.350 1.445 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC[C@@]2(CC[NH2+]C2)C1 ZINC000923331247 714317769 /nfs/dbraw/zinc/31/77/69/714317769.db2.gz FFFHOWRLNVERBK-CZUORRHYSA-N 1 0 321.377 1.020 20 5 DDBDRO C[C@H]1C[N@H+](CC[N+](=O)[O-])CC[C@@H]1CNC(=O)OC(C)(C)C ZINC000932710161 714395028 /nfs/dbraw/zinc/39/50/28/714395028.db2.gz LFXLZLXKEMBGPC-NWDGAFQWSA-N 1 0 301.387 1.746 20 5 DDBDRO [NH3+]CC[C@H]1CN(CCn2ccc([N+](=O)[O-])n2)c2ccccc21 ZINC000923554258 714399982 /nfs/dbraw/zinc/39/99/82/714399982.db2.gz GTMLBRZJMJSGGC-LBPRGKRZSA-N 1 0 301.350 1.744 20 5 DDBDRO C[C@@](CO)(Cc1ccc(F)cc1)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000933438915 714589115 /nfs/dbraw/zinc/58/91/15/714589115.db2.gz LHAVOZNLTRJHBT-HNNXBMFYSA-N 1 0 322.340 1.514 20 5 DDBDRO C[N@@H+]1C[C@@H]2CN(C[C@@H](O)c3cccc([N+](=O)[O-])c3)C[C@]2(C)C1 ZINC000933735319 714659085 /nfs/dbraw/zinc/65/90/85/714659085.db2.gz HFXIGNMSBPRNSW-BMFZPTHFSA-N 1 0 305.378 1.512 20 5 DDBDRO CCOC(=O)[C@H]1NCC[C@@H]1[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000925827290 714945126 /nfs/dbraw/zinc/94/51/26/714945126.db2.gz REGYUECCCZQGQV-SWHYSGLUSA-N 1 0 307.350 1.539 20 5 DDBDRO CC[N@H+](CC1CC1)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000957712925 716011180 /nfs/dbraw/zinc/01/11/80/716011180.db2.gz AYGVTQRGMIQBDZ-HUUCEWRRSA-N 1 0 309.410 1.622 20 5 DDBDRO C[N@@H+]1CCO[C@@H]2CN(c3ncc([N+](=O)[O-])c4ccccc43)C[C@H]21 ZINC001164668058 719389027 /nfs/dbraw/zinc/38/90/27/719389027.db2.gz PUMXRXNIQFDKDI-HUUCEWRRSA-N 1 0 314.345 1.662 20 5 DDBDRO O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1-n1ccnc1[C@H]1CCC[NH2+]C1 ZINC001167056593 732364870 /nfs/dbraw/zinc/36/48/70/732364870.db2.gz OMUHHYCDDVKFTC-VIFPVBQESA-N 1 0 323.740 1.534 20 5 DDBDRO C[NH2+]Cc1c(C)nn(-c2ccc3[nH]cc([N+](=O)[O-])c3n2)c1C ZINC001167099367 732612502 /nfs/dbraw/zinc/61/25/02/732612502.db2.gz UIGAHRITUFDELB-UHFFFAOYSA-N 1 0 300.322 1.993 20 5 DDBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)c1ccn[nH]1 ZINC001021854187 733617646 /nfs/dbraw/zinc/61/76/46/733617646.db2.gz FMEKVYDVUYOAHV-TXEJJXNPSA-N 1 0 315.333 1.369 20 5 DDBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2cccc(Cl)c2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001022064046 734368623 /nfs/dbraw/zinc/36/86/23/734368623.db2.gz SDKHKEOOCHFBPS-XJFOESAGSA-N 1 0 323.780 1.742 20 5 DDBDRO CCOC(=O)COc1ncc(-n2cccc2C[NH3+])cc1[N+](=O)[O-] ZINC001167593613 734785620 /nfs/dbraw/zinc/78/56/20/734785620.db2.gz VUKGZAIWLYZMDB-UHFFFAOYSA-N 1 0 320.305 1.181 20 5 DDBDRO COc1ncc([N+](=O)[O-])c(N2C(C)(C)CC([NH3+])CC2(C)C)n1 ZINC001167625635 734849314 /nfs/dbraw/zinc/84/93/14/734849314.db2.gz NONMJLQYKGSNOL-UHFFFAOYSA-N 1 0 309.370 1.878 20 5 DDBDRO [NH3+]Cc1nn(-c2c(F)c([N+](=O)[O-])cc[n+]2[O-])c2ccccc12 ZINC001167696360 736268053 /nfs/dbraw/zinc/26/80/53/736268053.db2.gz YJNXYNDVMOLYQC-UHFFFAOYSA-N 1 0 303.253 1.165 20 5 DDBDRO O=[N+]([O-])c1ccc(Cl)cc1CN1CCC(CO)(CO)C1 ZINC000694708531 736333599 /nfs/dbraw/zinc/33/35/99/736333599.db2.gz YDWXJCNDVOKEMS-UHFFFAOYSA-N 1 0 300.742 1.425 20 5 DDBDRO O=C(NCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(F)cn1 ZINC001126066878 738223859 /nfs/dbraw/zinc/22/38/59/738223859.db2.gz OTBSOMXLAQLKDO-UHFFFAOYSA-N 1 0 318.308 1.649 20 5 DDBDRO O=C(C[NH+]1CCCC1)N[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001059233541 740438278 /nfs/dbraw/zinc/43/82/78/740438278.db2.gz NYFHPTVIOMXAJC-HDJSIYSDSA-N 1 0 318.377 1.750 20 5 DDBDRO CN(CCN(C)c1ccccc1[N+](=O)[O-])C(=O)CC[NH+](C)C ZINC001105553898 742112938 /nfs/dbraw/zinc/11/29/38/742112938.db2.gz JEGIUUGOQGACCS-UHFFFAOYSA-N 1 0 308.382 1.441 20 5 DDBDRO NC1(c2nc(-c3ccc4ccc5cccnc5c4n3)no2)C[NH2+]C1 ZINC001212130006 743502674 /nfs/dbraw/zinc/50/26/74/743502674.db2.gz SAEFWEKLPKDJTE-UHFFFAOYSA-N 1 0 318.340 1.590 20 5 DDBDRO C[NH+](C)CCC(=O)NCC1(Nc2ncccc2[N+](=O)[O-])CC1 ZINC001110325304 743767937 /nfs/dbraw/zinc/76/79/37/743767937.db2.gz GPXCKVWIOXOIDU-UHFFFAOYSA-N 1 0 307.354 1.002 20 5 DDBDRO COc1c(O)ccc(CN[C@@H]2CC[C@@H]3C[N@H+](C)C[C@@H]23)c1[N+](=O)[O-] ZINC001184387308 744031159 /nfs/dbraw/zinc/03/11/59/744031159.db2.gz IVUBZHDSDNQJDB-JHJVBQTASA-N 1 0 321.377 1.739 20 5 DDBDRO C[NH+](C)[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)C12CCC2 ZINC001187034856 744496506 /nfs/dbraw/zinc/49/65/06/744496506.db2.gz ORXLVERQVFKGFX-KBPBESRZSA-N 1 0 318.377 1.978 20 5 DDBDRO Cc1ccc(C[NH+]2CC(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cc1 ZINC001031661617 747337053 /nfs/dbraw/zinc/33/70/53/747337053.db2.gz FARLXSGTCJJWJC-HUUCEWRRSA-N 1 0 303.362 1.208 20 5 DDBDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000106363532 748676458 /nfs/dbraw/zinc/67/64/58/748676458.db2.gz YYRHZIIMNOZMJI-LLVKDONJSA-N 1 0 322.321 1.669 20 5 DDBDRO Cc1ncccc1C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000996428411 749586016 /nfs/dbraw/zinc/58/60/16/749586016.db2.gz BVUMHGKJLVMQKQ-HUUCEWRRSA-N 1 0 318.377 1.136 20 5 DDBDRO CC(=O)NCC[NH+]1CCC(Nc2ncccc2[N+](=O)[O-])CC1 ZINC001111309111 750442896 /nfs/dbraw/zinc/44/28/96/750442896.db2.gz DWDNBGZBTAJKQB-UHFFFAOYSA-N 1 0 307.354 1.002 20 5 DDBDRO O=C(CC[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)NCc1ccccc1 ZINC001168972676 762162783 /nfs/dbraw/zinc/16/27/83/762162783.db2.gz APSRSEOLBRVIGA-LSDHHAIUSA-N 1 0 305.378 1.728 20 5 DDBDRO O=C([C@@H]1CCC[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1)N1CCCC1 ZINC001169022490 762201328 /nfs/dbraw/zinc/20/13/28/762201328.db2.gz CEVKWGRZQQAQID-ZNMIVQPWSA-N 1 0 309.410 1.766 20 5 DDBDRO O=C(N[C@@H]1CCC[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1)N1CCCC1 ZINC001169052075 762207130 /nfs/dbraw/zinc/20/71/30/762207130.db2.gz FXEDJRAZTCIFLJ-KFWWJZLASA-N 1 0 324.425 1.702 20 5 DDBDRO COc1cccnc1O[C@@H]1CC[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169050666 762207158 /nfs/dbraw/zinc/20/71/58/762207158.db2.gz CHCYGVHIMOSZOM-HZSPNIEDSA-N 1 0 321.377 1.989 20 5 DDBDRO COC(=O)c1cnc2c(c1)C[N@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169056286 762211326 /nfs/dbraw/zinc/21/13/26/762211326.db2.gz RFGKWGUWYYRBGX-SMDDNHRTSA-N 1 0 319.361 1.672 20 5 DDBDRO [NH3+][C@@H](CO)Cc1cncn1-c1ccc2ncccc2c1[N+](=O)[O-] ZINC001169075415 762223681 /nfs/dbraw/zinc/22/36/81/762223681.db2.gz RBQPCWQBJCWWII-SNVBAGLBSA-N 1 0 313.317 1.191 20 5 DDBDRO COc1cc(NCc2ncn3c2C[NH2+]CCC3)cnc1[N+](=O)[O-] ZINC001169243530 762306659 /nfs/dbraw/zinc/30/66/59/762306659.db2.gz LZVSQQGFPMIRLF-UHFFFAOYSA-N 1 0 318.337 1.300 20 5 DDBDRO CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@@H](Nc2ccccc2[N+](=O)[O-])C1 ZINC001097190574 756980025 /nfs/dbraw/zinc/98/00/25/756980025.db2.gz SWYYOUFUANEYLT-BETUJISGSA-N 1 0 320.393 1.994 20 5 DDBDRO [NH3+]Cc1ccn(-c2cc([N+](=O)[O-])cc(Br)[n+]2[O-])c1 ZINC001169725885 762608727 /nfs/dbraw/zinc/60/87/27/762608727.db2.gz LMJMNDSFSVAISM-UHFFFAOYSA-N 1 0 313.111 1.240 20 5 DDBDRO C[NH+](C)C1(C)CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000823653303 758332504 /nfs/dbraw/zinc/33/25/04/758332504.db2.gz GYRZIQPJOXLGOI-UHFFFAOYSA-N 1 0 306.366 1.614 20 5 DDBDRO O=C(NCc1ccc(C[NH2+]CC2CC2)cc1F)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001001525178 762937677 /nfs/dbraw/zinc/93/76/77/762937677.db2.gz UUNKXEVWSTYKSX-UKRRQHHQSA-N 1 0 321.352 1.607 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(-n2nnc3ccc(C[NH3+])cc32)n1 ZINC001170018759 763986907 /nfs/dbraw/zinc/98/69/07/763986907.db2.gz TVKRBWQAYXIWNY-UHFFFAOYSA-N 1 0 300.278 1.191 20 5 DDBDRO C[C@@H](Nc1ccc2cnccc2c1[N+](=O)[O-])[C@@H]1C[NH2+]CCO1 ZINC001170568763 768181244 /nfs/dbraw/zinc/18/12/44/768181244.db2.gz HIOUUBZMOZAMLE-YGRLFVJLSA-N 1 0 302.334 1.932 20 5 DDBDRO CCOC(=O)c1ccc(NC[C@H]2COCC[NH2+]2)c([N+](=O)[O-])c1 ZINC001170045525 764370787 /nfs/dbraw/zinc/37/07/87/764370787.db2.gz VNIOTJOCXNCFRV-NSHDSACASA-N 1 0 309.322 1.172 20 5 DDBDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC001136839750 772170853 /nfs/dbraw/zinc/17/08/53/772170853.db2.gz SPPPJOUHMQTPMU-JTQLQIEISA-N 1 0 308.338 1.109 20 5 DDBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cnc(N)c([N+](=O)[O-])c2)C[C@H]1C ZINC001147741601 773227788 /nfs/dbraw/zinc/22/77/88/773227788.db2.gz GEKCQQIFFCEZMA-PWSUYJOCSA-N 1 0 321.381 1.517 20 5 DDBDRO C[NH+](C)CCC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001093193329 774494280 /nfs/dbraw/zinc/49/42/80/774494280.db2.gz IXVWHZAKPKRBRZ-UHFFFAOYSA-N 1 0 306.366 1.195 20 5 DDBDRO CCC[N@H+](C)CC(=O)NCCNc1ncc(C)cc1[N+](=O)[O-] ZINC001093787590 775078837 /nfs/dbraw/zinc/07/88/37/775078837.db2.gz GCRMAJRCFWKLLZ-UHFFFAOYSA-N 1 0 309.370 1.168 20 5 DDBDRO O=C(C[NH+]1CCCC1)NCC1(Nc2ncccc2[N+](=O)[O-])CC1 ZINC001110149832 775107361 /nfs/dbraw/zinc/10/73/61/775107361.db2.gz CBKSGMGXAAVSCN-UHFFFAOYSA-N 1 0 319.365 1.146 20 5 DDBDRO O=C(NCCCNc1ccc([N+](=O)[O-])cn1)C12CC[NH+](CC1)C2 ZINC001094506106 775951034 /nfs/dbraw/zinc/95/10/34/775951034.db2.gz SHBUJRLJYLXVKQ-UHFFFAOYSA-N 1 0 319.365 1.004 20 5 DDBDRO CN(CCNC(=O)C1CC[NH+](C)CC1)c1ccccc1[N+](=O)[O-] ZINC001100298329 775958279 /nfs/dbraw/zinc/95/82/79/775958279.db2.gz HZOFAVOIJSXNCE-UHFFFAOYSA-N 1 0 320.393 1.489 20 5 DDBDRO CC[N@H+](C)CCC(=O)NCCCNc1ncc([N+](=O)[O-])cc1C ZINC001094574076 776049069 /nfs/dbraw/zinc/04/90/69/776049069.db2.gz MZRHBZNJQKUMMT-UHFFFAOYSA-N 1 0 323.397 1.558 20 5 DDBDRO CN(CCNC(=O)C[N@H+](C)C1CCC1)c1ncccc1[N+](=O)[O-] ZINC001100386806 776083794 /nfs/dbraw/zinc/08/37/94/776083794.db2.gz WNTJTYQMXDVEBC-UHFFFAOYSA-N 1 0 321.381 1.027 20 5 DDBDRO O=C1C[C@H]([NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCN1 ZINC001172900556 776914995 /nfs/dbraw/zinc/91/49/95/776914995.db2.gz VRQXPPSEEMCXBI-ZIAGYGMSSA-N 1 0 303.362 1.710 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]C1CC(CO)(CO)C1)CC2 ZINC001172899545 776915055 /nfs/dbraw/zinc/91/50/55/776915055.db2.gz ALDYFIYGUVALGD-CQSZACIVSA-N 1 0 320.389 1.565 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CC[C@@H](CO)[C@@H](O)C1)CC2 ZINC001172902310 776915927 /nfs/dbraw/zinc/91/59/27/776915927.db2.gz AKFINVJCANPYTF-UXLLHSPISA-N 1 0 320.389 1.517 20 5 DDBDRO N=c1ncc(C[NH3+])cn1[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172905646 776916904 /nfs/dbraw/zinc/91/69/04/776916904.db2.gz TUHSTYNDXLVDQL-AWEZNQCLSA-N 1 0 313.361 1.850 20 5 DDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1COCCC12OCCO2 ZINC001173216290 777049004 /nfs/dbraw/zinc/04/90/04/777049004.db2.gz IFAQVLHGRDXTGB-WFASDCNBSA-N 1 0 322.361 1.647 20 5 DDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCOC[C@@H]1C[NH+](C)C ZINC001173232738 777063917 /nfs/dbraw/zinc/06/39/17/777063917.db2.gz HMNCWWJMLWJSSH-CJNGLKHVSA-N 1 0 307.394 1.788 20 5 DDBDRO Cc1ncoc1C[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001178463759 779060770 /nfs/dbraw/zinc/06/07/70/779060770.db2.gz KYOAGEXSSBSCRC-CHWSQXEVSA-N 1 0 324.381 1.414 20 5 DDBDRO CC[N@H+](C)CCC(=O)NCC1(Nc2ccccc2[N+](=O)[O-])CC1 ZINC001110227884 779268033 /nfs/dbraw/zinc/26/80/33/779268033.db2.gz QKCUDWOUIDRLPX-UHFFFAOYSA-N 1 0 320.393 1.997 20 5 DDBDRO Cc1cccc(C(=O)NC[C@H]2C[NH+]3CCC2CC3)c1[N+](=O)[O-] ZINC001179893170 779519814 /nfs/dbraw/zinc/51/98/14/779519814.db2.gz CYVOULGVZKLYSP-ZDUSSCGKSA-N 1 0 303.362 1.975 20 5 DDBDRO Cc1nn(C)c(C(=O)N[C@H]2CCCC[C@H]2[NH+](C)C)c1[N+](=O)[O-] ZINC001116031340 780468520 /nfs/dbraw/zinc/46/85/20/780468520.db2.gz DZUSQMBDGXKDRN-WDEREUQCSA-N 1 0 309.370 1.239 20 5 DDBDRO C[C@@H](CN1CC[NH2+]CC1)Nc1cnc2ccc([N+](=O)[O-])cc2n1 ZINC001154747359 861418216 /nfs/dbraw/zinc/41/82/16/861418216.db2.gz GWGDKSDZGDIJAB-NSHDSACASA-N 1 0 316.365 1.244 20 5 DDBDRO O=C(COCC1CC1)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001154982045 861620693 /nfs/dbraw/zinc/62/06/93/861620693.db2.gz XTLCMORPLZXPGK-UHFFFAOYSA-N 1 0 321.377 1.617 20 5 DDBDRO CCOC(=O)c1ccnc(NC[C@H]2C[NH2+][C@H](C)C2)c1[N+](=O)[O-] ZINC001155102128 861735018 /nfs/dbraw/zinc/73/50/18/861735018.db2.gz NYXYUQAGRBLDJT-NXEZZACHSA-N 1 0 308.338 1.576 20 5 DDBDRO O=[N+]([O-])c1ccnc(NC[C@@H]2CCC3(CC[NH2+]CC3)CO2)c1 ZINC001155377122 862010326 /nfs/dbraw/zinc/01/03/26/862010326.db2.gz AGGJQBNGYFAROB-ZDUSSCGKSA-N 1 0 306.366 1.951 20 5 DDBDRO CCN(CC[NH2+]Cc1ccccc1F)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001273376121 849739536 /nfs/dbraw/zinc/73/95/36/849739536.db2.gz UXKFAWRLMQDSTO-TZMCWYRMSA-N 1 0 309.341 1.429 20 5 DDBDRO O=[N+]([O-])c1ccc2c(ccnc2N[C@@H]2C[NH2+][C@@H]3COC[C@H]23)c1 ZINC001155509410 862172693 /nfs/dbraw/zinc/17/26/93/862172693.db2.gz CQTYWFWGKUJUNY-MGPQQGTHSA-N 1 0 300.318 1.542 20 5 DDBDRO O=[N+]([O-])c1cnc(Cl)cc1NC[C@@H]1OC[C@H]2C[NH2+]CC[C@H]21 ZINC001155522228 862187434 /nfs/dbraw/zinc/18/74/34/862187434.db2.gz DRNIKVLJGJSCNF-LNLATYFQSA-N 1 0 312.757 1.680 20 5 DDBDRO O=[N+]([O-])c1c[nH]c2ccc(NC[C@@H]3OC[C@H]4C[NH2+]CC[C@H]43)nc21 ZINC001155526289 862194117 /nfs/dbraw/zinc/19/41/17/862194117.db2.gz FCTVASNBYOTZAH-BREBYQMCSA-N 1 0 317.349 1.508 20 5 DDBDRO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)COc1ccccc1[N+](=O)[O-] ZINC001327544800 862256689 /nfs/dbraw/zinc/25/66/89/862256689.db2.gz UDKFXDYFSXUOJE-CHWSQXEVSA-N 1 0 321.377 1.963 20 5 DDBDRO Nc1cc([N+](=O)[O-])cnc1NC[C@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001155595780 862272390 /nfs/dbraw/zinc/27/23/90/862272390.db2.gz CYUDLUADJQQKNM-IINYFYTJSA-N 1 0 307.354 1.143 20 5 DDBDRO O=[N+]([O-])c1c(Cl)ccnc1N[C@@H]1CCO[C@@]2(CC[NH2+]C2)C1 ZINC001155616828 862293826 /nfs/dbraw/zinc/29/38/26/862293826.db2.gz GDNMKROVPPNUDS-RNCFNFMXSA-N 1 0 312.757 1.966 20 5 DDBDRO CCc1ccc(C(=O)N2CCC[C@@H]([NH2+]CCO)C2)cc1[N+](=O)[O-] ZINC001122172249 858702895 /nfs/dbraw/zinc/70/28/95/858702895.db2.gz ATWLVCULCDKYQC-CQSZACIVSA-N 1 0 321.377 1.344 20 5 DDBDRO O=C(CNc1ccccc1[N+](=O)[O-])N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001122216163 858716856 /nfs/dbraw/zinc/71/68/56/858716856.db2.gz KSDMMSFBRPAJKN-NWDGAFQWSA-N 1 0 304.350 1.075 20 5 DDBDRO O=C(COc1ccccc1[N+](=O)[O-])N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001122242128 858723517 /nfs/dbraw/zinc/72/35/17/858723517.db2.gz XITPEFRGVBDYQF-MRXNPFEDSA-N 1 0 319.361 1.718 20 5 DDBDRO COc1ccc(C(=O)N2CC[C@@H](C[NH3+])[C@@H](C)C2)cc1[N+](=O)[O-] ZINC001122295423 858741153 /nfs/dbraw/zinc/74/11/53/858741153.db2.gz JHJOXPCHTYLIIG-JQWIXIFHSA-N 1 0 307.350 1.660 20 5 DDBDRO COc1ccc(C(=O)NC2(C3CC[NH2+]CC3)CC2)cc1[N+](=O)[O-] ZINC001122377164 858782407 /nfs/dbraw/zinc/78/24/07/858782407.db2.gz KJCPXSRMKYSLEE-UHFFFAOYSA-N 1 0 319.361 1.865 20 5 DDBDRO O=C1NCCC[C@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000765515230 881351373 /nfs/dbraw/zinc/35/13/73/881351373.db2.gz JUILKINZVUEIHH-OAHLLOKOSA-N 1 0 318.377 1.432 20 5 DDBDRO COc1ccc(NC(=O)NCC2=CC[N@H+](C)CC2)c([N+](=O)[O-])c1 ZINC001123267235 859152571 /nfs/dbraw/zinc/15/25/71/859152571.db2.gz CVQDEIFBWRXEHL-UHFFFAOYSA-N 1 0 320.349 1.987 20 5 DDBDRO Cc1ccc(C(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)cn1 ZINC001123635137 859336000 /nfs/dbraw/zinc/33/60/00/859336000.db2.gz OZKVAKIBICDVNY-UHFFFAOYSA-N 1 0 320.374 1.879 20 5 DDBDRO Cc1c(C(=O)N2CC[C@@](O)(C[NH+](C)C)C2)cccc1[N+](=O)[O-] ZINC001123854127 859442197 /nfs/dbraw/zinc/44/21/97/859442197.db2.gz WNUGFPGOQHERCI-OAHLLOKOSA-N 1 0 307.350 1.042 20 5 DDBDRO C[N+](C)(C)CCCO[C@H](C[N+](=O)[O-])c1ccc2c(c1)OCO2 ZINC001224621206 881475687 /nfs/dbraw/zinc/47/56/87/881475687.db2.gz NCGDPFDYWVLHFQ-OAHLLOKOSA-N 1 0 311.358 1.846 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1O ZINC001141708230 860916592 /nfs/dbraw/zinc/91/65/92/860916592.db2.gz XZAIAYNSAQVIDP-ZIAGYGMSSA-N 1 0 321.377 1.995 20 5 DDBDRO C[NH2+][C@H](C)CCNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC001326048410 861066833 /nfs/dbraw/zinc/06/68/33/861066833.db2.gz GSUONVRZCPSYEY-GFCCVEGCSA-N 1 0 320.393 1.923 20 5 DDBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N2C[C@@H]3C[NH2+][C@@H]3C2)n1 ZINC001157619663 863981210 /nfs/dbraw/zinc/98/12/10/863981210.db2.gz FEHOGRVZOLDAQG-NTSWFWBYSA-N 1 0 301.759 1.168 20 5 DDBDRO Cc1ncn(-c2cc(N)c([N+](=O)[O-])cn2)c1CSCC[NH3+] ZINC001157964127 864313717 /nfs/dbraw/zinc/31/37/17/864313717.db2.gz PQCAVAFQXDJMKA-UHFFFAOYSA-N 1 0 308.367 1.258 20 5 DDBDRO [NH3+][C@@H](CO)Cc1cncn1-c1ncc([N+](=O)[O-])c2ccccc21 ZINC001158203564 864486915 /nfs/dbraw/zinc/48/69/15/864486915.db2.gz FXNHOSFKCPYQOW-SNVBAGLBSA-N 1 0 313.317 1.191 20 5 DDBDRO Cc1c(C)c(NCc2ncn3c2C[NH2+]CCC3)ncc1[N+](=O)[O-] ZINC001158359660 864601947 /nfs/dbraw/zinc/60/19/47/864601947.db2.gz URAQUKJECBLIBR-UHFFFAOYSA-N 1 0 316.365 1.909 20 5 DDBDRO [NH3+][C@@H]1CN(c2ccc3c(cccc3[N+](=O)[O-])n2)CC12COC2 ZINC001158763121 864888956 /nfs/dbraw/zinc/88/89/56/864888956.db2.gz UXBYCRSYEMFAIA-CYBMUJFWSA-N 1 0 300.318 1.307 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCC23CC[NH+](CC2)CC3)n1 ZINC001158833446 864927711 /nfs/dbraw/zinc/92/77/11/864927711.db2.gz RBYUYLRSWJAJDP-UHFFFAOYSA-N 1 0 320.349 1.674 20 5 DDBDRO C[NH2+][C@H](C)CCNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001331466797 865103325 /nfs/dbraw/zinc/10/33/25/865103325.db2.gz ORPJIDOCNZRANS-SECBINFHSA-N 1 0 320.353 1.268 20 5 DDBDRO CC(C)c1noc(CC[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)n1 ZINC001331956976 865460147 /nfs/dbraw/zinc/46/01/47/865460147.db2.gz ALCCNLFQLUAENH-CYBMUJFWSA-N 1 0 320.349 1.967 20 5 DDBDRO [NH3+]C[C@@]1(Nc2cc([N+](=O)[O-])cc(Cl)n2)CN2CCC1CC2 ZINC001160508717 865890970 /nfs/dbraw/zinc/89/09/70/865890970.db2.gz JHQBKFYSRYZHHW-CYBMUJFWSA-N 1 0 311.773 1.478 20 5 DDBDRO C[C@@H](CN1CC[NH2+]CC1)Nc1ccc2cnccc2c1[N+](=O)[O-] ZINC001162097362 867250720 /nfs/dbraw/zinc/25/07/20/867250720.db2.gz OKBYHWZQZVWFFL-LBPRGKRZSA-N 1 0 315.377 1.849 20 5 DDBDRO C[C@@H]1C[NH2+]CCC[C@@H]1CNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC001162452115 867544450 /nfs/dbraw/zinc/54/44/50/867544450.db2.gz AYNCCIHOOGCNKH-NXEZZACHSA-N 1 0 307.354 1.136 20 5 DDBDRO Cc1c(C(=O)NOCC[NH+](C)C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001334409997 867548169 /nfs/dbraw/zinc/54/81/69/867548169.db2.gz VTQHEIAVNNSXQE-UHFFFAOYSA-N 1 0 312.282 1.034 20 5 DDBDRO C[C@H]1C[NH2+]CCC[C@@H]1CNc1cc([N+](=O)[O-])c2nncn2c1 ZINC001162468299 867553754 /nfs/dbraw/zinc/55/37/54/867553754.db2.gz WOZKEQFBMLWHFE-WDEREUQCSA-N 1 0 304.354 1.685 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2C3CCC2(CO)CC3)c1 ZINC001334498108 867623218 /nfs/dbraw/zinc/62/32/18/867623218.db2.gz YVZOUDQGMRHKLF-CXOJTPOUSA-N 1 0 322.361 1.324 20 5 DDBDRO COc1cc(NCC[C@@H]2CCOC23C[NH2+]C3)cnc1[N+](=O)[O-] ZINC001163094956 868088277 /nfs/dbraw/zinc/08/82/77/868088277.db2.gz NQTOWYNGQKDOJR-SNVBAGLBSA-N 1 0 308.338 1.179 20 5 DDBDRO O=[N+]([O-])c1cncc(Cl)c1NCc1noc2c1C[NH2+]CC2 ZINC001163131589 868138493 /nfs/dbraw/zinc/13/84/93/868138493.db2.gz GXHCOZRTXBWICR-UHFFFAOYSA-N 1 0 309.713 1.311 20 5 DDBDRO O=[N+]([O-])c1c2nsnc2ccc1NC[C@]12C[NH2+]C[C@H]1COC2 ZINC001163154864 868167821 /nfs/dbraw/zinc/16/78/21/868167821.db2.gz QPNVYCGWEOHKOQ-SDBXPKJASA-N 1 0 321.362 1.247 20 5 DDBDRO O=[N+]([O-])c1c[nH]c2nc(NC[C@@H]3OC[C@H]4C[NH2+]CC[C@H]43)ccc12 ZINC001163159000 868171854 /nfs/dbraw/zinc/17/18/54/868171854.db2.gz DRLZDFWCWKAVFG-BREBYQMCSA-N 1 0 317.349 1.508 20 5 DDBDRO NC(=O)c1ccnc(N[C@H]2C[NH2+]Cc3ccsc32)c1[N+](=O)[O-] ZINC001163227172 868231856 /nfs/dbraw/zinc/23/18/56/868231856.db2.gz RAYSRLRGUZYEPD-VIFPVBQESA-N 1 0 319.346 1.407 20 5 DDBDRO COC(=O)c1c(C)c([N+](=O)[O-])ccc1N[C@H]1C[NH2+][C@@H]2CCO[C@@H]21 ZINC001163348083 868380528 /nfs/dbraw/zinc/38/05/28/868380528.db2.gz SOZHOWCVZITZBL-SUNKGSAMSA-N 1 0 321.333 1.231 20 5 DDBDRO CC[NH2+]CCCNC(=O)NC[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001335687460 868478527 /nfs/dbraw/zinc/47/85/27/868478527.db2.gz SCDHUSOKDWNVHG-GFCCVEGCSA-N 1 0 308.382 1.997 20 5 DDBDRO COC(=O)c1cnc(N2C[C@H](C[NH3+])CC[C@H]2C)c([N+](=O)[O-])c1 ZINC001164463065 869210626 /nfs/dbraw/zinc/21/06/26/869210626.db2.gz WJHJYHYZMLDDOY-ZJUUUORDSA-N 1 0 308.338 1.340 20 5 DDBDRO C[C@H]1CC[C@H](C[NH3+])CN1c1c(Cl)[n+]([O-])ccc1[N+](=O)[O-] ZINC001164468932 869214797 /nfs/dbraw/zinc/21/47/97/869214797.db2.gz UMILQFRRCKCTJZ-DTWKUNHWSA-N 1 0 300.746 1.445 20 5 DDBDRO O=C(NCCC1(C[NH2+]Cc2cccnc2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001164491025 869230107 /nfs/dbraw/zinc/23/01/07/869230107.db2.gz XUTOWVQJRNIBJI-ZIAGYGMSSA-N 1 0 318.377 1.123 20 5 DDBDRO O=[N+]([O-])c1ccc2ncnc(N3CC[C@@H]4[NH2+]CCO[C@H]4C3)c2c1 ZINC001165270457 869482343 /nfs/dbraw/zinc/48/23/43/869482343.db2.gz FXOVQAGFQKWAJT-KBPBESRZSA-N 1 0 315.333 1.105 20 5 DDBDRO COC(=O)c1cc(OC)c(O[C@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC001226360567 882383301 /nfs/dbraw/zinc/38/33/01/882383301.db2.gz DBQZTJHOZNMJAR-NSHDSACASA-N 1 0 324.333 1.863 20 5 DDBDRO COC(=O)C1(Nc2cc3cc[nH]c3c([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC001166947510 870406880 /nfs/dbraw/zinc/40/68/80/870406880.db2.gz LBPNNFDXFDKVNN-UHFFFAOYSA-N 1 0 318.333 1.783 20 5 DDBDRO O=C(CCc1cc(F)ccc1[N+](=O)[O-])NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC001340164639 870931137 /nfs/dbraw/zinc/93/11/37/870931137.db2.gz ORJWWXFSJNVDPS-RYUDHWBXSA-N 1 0 313.304 1.483 20 5 DDBDRO O=C([C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC001340180052 870941082 /nfs/dbraw/zinc/94/10/82/870941082.db2.gz ALARZOOYBQFUQS-DRPJVOAASA-N 1 0 315.373 1.909 20 5 DDBDRO CCCN(C(=O)c1cnc(N)c([N+](=O)[O-])c1)[C@H]1CC[N@H+](C)C1 ZINC001299832728 870941485 /nfs/dbraw/zinc/94/14/85/870941485.db2.gz FHJAFKCAYZTHGM-NSHDSACASA-N 1 0 307.354 1.128 20 5 DDBDRO Cc1cc(C(=O)NCC[C@H]2CSCC[NH2+]2)cc([N+](=O)[O-])c1 ZINC001340381383 871071245 /nfs/dbraw/zinc/07/12/45/871071245.db2.gz IZTJABTYADAFIZ-LBPRGKRZSA-N 1 0 309.391 1.728 20 5 DDBDRO Nc1ccc(C(=O)NC[C@@H]2C[NH+]3CCC2CC3)cc1[N+](=O)[O-] ZINC001304523705 871220041 /nfs/dbraw/zinc/22/00/41/871220041.db2.gz CECPSASEFLKDJU-GFCCVEGCSA-N 1 0 304.350 1.249 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@@H](Nc2ncccn2)C1 ZINC001308140441 871475994 /nfs/dbraw/zinc/47/59/94/871475994.db2.gz LCDBGDQCHLGHGC-GFCCVEGCSA-N 1 0 317.353 1.076 20 5 DDBDRO Cc1cccc(C)c1NC(=O)COC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001205298622 871487467 /nfs/dbraw/zinc/48/74/67/871487467.db2.gz DBBUGENECTWWOA-CQSZACIVSA-O 1 0 323.413 1.242 20 5 DDBDRO COC[C@@]1(C(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)CCCC[NH2+]1 ZINC001341110462 871510062 /nfs/dbraw/zinc/51/00/62/871510062.db2.gz WICZNGDCHHJNMJ-MLGOLLRUSA-N 1 0 321.377 1.931 20 5 DDBDRO CC(C)OC[C@H](C)[NH2+][C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001308929757 871538863 /nfs/dbraw/zinc/53/88/63/871538863.db2.gz CGQBWVVABUIFNV-NILFDRSVSA-N 1 0 312.366 1.392 20 5 DDBDRO O=C(COc1cccc([N+](=O)[O-])c1)N1CCC[C@@]12CC[NH2+]C2 ZINC001341499907 871683200 /nfs/dbraw/zinc/68/32/00/871683200.db2.gz RBJONJLQFFOOHP-HNNXBMFYSA-N 1 0 305.334 1.328 20 5 DDBDRO C[C@H](CNC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F)c1ccccc1[N+](=O)[O-] ZINC001342075219 871991687 /nfs/dbraw/zinc/99/16/87/871991687.db2.gz UUFHXQCTPAIFFR-QRTLGDNMSA-N 1 0 313.304 1.655 20 5 DDBDRO C[NH2+]CCOCCNC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001342303899 872137649 /nfs/dbraw/zinc/13/76/49/872137649.db2.gz XUWUOLOICBIKKK-ZIAGYGMSSA-N 1 0 307.350 1.051 20 5 DDBDRO [NH3+]C[C@]12CC[C@@H]1CCCN2C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC001342960108 872451747 /nfs/dbraw/zinc/45/17/47/872451747.db2.gz KPORYVJSFXPTHO-XJKSGUPXSA-N 1 0 303.362 1.867 20 5 DDBDRO O=C(COc1ccccc1[N+](=O)[O-])N1CCC[C@]12CC[NH2+]C2 ZINC001343032225 872474559 /nfs/dbraw/zinc/47/45/59/872474559.db2.gz JHBFMZCOIVSCBP-OAHLLOKOSA-N 1 0 305.334 1.328 20 5 DDBDRO COCC[C@H]1C[NH2+]CCN1C(=O)c1ccc([N+](=O)[O-])cc1C ZINC001343102259 872502486 /nfs/dbraw/zinc/50/24/86/872502486.db2.gz FNWZIPCGRVRQHG-ZDUSSCGKSA-N 1 0 307.350 1.354 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NCC[C@H]1CCC[NH2+]CC1 ZINC001343676776 872714519 /nfs/dbraw/zinc/71/45/19/872714519.db2.gz ORAYUTGDYPHNAW-LBPRGKRZSA-N 1 0 306.366 1.808 20 5 DDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CC=CCC1 ZINC001344406456 872996380 /nfs/dbraw/zinc/99/63/80/872996380.db2.gz DUMSPGKOCPLUQJ-UHFFFAOYSA-N 1 0 304.350 1.628 20 5 DDBDRO [NH3+][C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C[C@H]1C(F)(F)F ZINC001344720256 873088995 /nfs/dbraw/zinc/08/89/95/873088995.db2.gz MHMBWRNGQXKIKM-NXEZZACHSA-N 1 0 321.230 1.696 20 5 DDBDRO CN(CC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)CC(F)F ZINC001346213925 873649972 /nfs/dbraw/zinc/64/99/72/873649972.db2.gz RIWQMVCGQPPJTN-GFCCVEGCSA-N 1 0 303.309 1.415 20 5 DDBDRO CCN(C(=O)CCn1nc(C)c([N+](=O)[O-])c1C)[C@@H]1CCC[NH2+]C1 ZINC001346547537 873798401 /nfs/dbraw/zinc/79/84/01/873798401.db2.gz AGFGJLYSXINKRU-CYBMUJFWSA-N 1 0 323.397 1.399 20 5 DDBDRO CC[NH+]1CCN(c2nnc([C@H](C)[N+](=O)[O-])n2CC2CC2)CC1 ZINC001346938177 873944073 /nfs/dbraw/zinc/94/40/73/873944073.db2.gz RVOLGYAGIHPIEV-NSHDSACASA-N 1 0 308.386 1.168 20 5 DDBDRO C[N@@H+]1C[C@@H]2CC[C@H](Nc3cc(F)c([N+](=O)[O-])cc3CO)[C@@H]2C1 ZINC001348566011 874636490 /nfs/dbraw/zinc/63/64/90/874636490.db2.gz UGPXSQJVIQVLJA-NDMJEZRESA-N 1 0 309.341 1.978 20 5 DDBDRO Cc1cc(C(=O)NC[C@H]2C[NH2+]CCC2(F)F)cc([N+](=O)[O-])c1 ZINC001349917234 875452549 /nfs/dbraw/zinc/45/25/49/875452549.db2.gz RQRYUNWQRJTEDS-LLVKDONJSA-N 1 0 313.304 1.878 20 5 DDBDRO CCCCOCC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001227257848 882936536 /nfs/dbraw/zinc/93/65/36/882936536.db2.gz GHBMXSBNDTXRNK-ZIAGYGMSSA-N 1 0 313.398 1.049 20 5 DDBDRO Cn1c(CCC[N+](=O)[O-])nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001350550360 875753804 /nfs/dbraw/zinc/75/38/04/875753804.db2.gz RINRVOUYEBKHSQ-CYBMUJFWSA-N 1 0 322.413 1.089 20 5 DDBDRO C[N@@H+]1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])CC12CCCCC2 ZINC001350741204 875864801 /nfs/dbraw/zinc/86/48/01/875864801.db2.gz OAQPQWNZRVJNKI-UHFFFAOYSA-N 1 0 307.354 1.408 20 5 DDBDRO [NH3+]C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)C(F)(F)F ZINC000401756273 876680177 /nfs/dbraw/zinc/68/01/77/876680177.db2.gz RJLPIJGDZBWPMJ-QMMMGPOBSA-N 1 0 311.647 1.868 20 5 DDBDRO CCn1c(C[N+](=O)[O-])nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001352440595 876747762 /nfs/dbraw/zinc/74/77/62/876747762.db2.gz QEFDYYOWVHUMID-GFCCVEGCSA-N 1 0 308.386 1.139 20 5 DDBDRO C[C@H]1CN(Cn2nccc2[N+](=O)[O-])CCN1c1cc[nH+]cc1 ZINC001353196434 877178380 /nfs/dbraw/zinc/17/83/80/877178380.db2.gz NMPBAHFORXYAIF-LBPRGKRZSA-N 1 0 302.338 1.355 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C2CC(N3CCOCC3)C2)c1 ZINC001353326212 877257352 /nfs/dbraw/zinc/25/73/52/877257352.db2.gz VOIYIJICMPYEOL-BCLQGDPASA-N 1 0 321.377 1.081 20 5 DDBDRO C[C@@H]1CC[C@@H](Oc2[nH]c(=O)nc3cc([N+](=O)[O-])ccc32)C[NH2+]1 ZINC001218396895 877474597 /nfs/dbraw/zinc/47/45/97/877474597.db2.gz DSECNVJWXJWBTF-PSASIEDQSA-N 1 0 304.306 1.763 20 5 DDBDRO C[C@@H]1CN(C(=O)CCOc2ccccc2[N+](=O)[O-])CC[C@@H]1C[NH3+] ZINC001355063671 878406279 /nfs/dbraw/zinc/40/62/79/878406279.db2.gz AATJMWVQFVKBHI-CHWSQXEVSA-N 1 0 321.377 1.807 20 5 DDBDRO CC1(C)C[NH2+]C[C@@H]1NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC001355365041 878521083 /nfs/dbraw/zinc/52/10/83/878521083.db2.gz VGISIKSITDGEBJ-LBPRGKRZSA-N 1 0 311.313 1.227 20 5 DDBDRO COC(=O)c1c(CO[C@H]2C[NH+]3CCC2CC3)cccc1[N+](=O)[O-] ZINC001223293704 880909768 /nfs/dbraw/zinc/90/97/68/880909768.db2.gz CGTYLASEBJETDQ-AWEZNQCLSA-N 1 0 320.345 1.992 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])ccc1COC1CC[NH+](C)CC1 ZINC001223450495 880966687 /nfs/dbraw/zinc/96/66/87/880966687.db2.gz PQVPZIFIIDDFMT-UHFFFAOYSA-N 1 0 308.334 1.992 20 5 DDBDRO Cc1cnc(CO[C@H]2C[C@@H]3CC(=O)C[C@H]2[N@@H+]3C)c(C)c1[N+](=O)[O-] ZINC001224183128 881262056 /nfs/dbraw/zinc/26/20/56/881262056.db2.gz MVNFMMXZEMQOPB-GLQYFDAESA-N 1 0 319.361 1.927 20 5 DDBDRO C[N@@H+]1CCC[C@@H](Oc2n[nH]c(=O)c3ccc([N+](=O)[O-])cc32)C1 ZINC001229365110 883946219 /nfs/dbraw/zinc/94/62/19/883946219.db2.gz RDQPMTDMOCXZGN-SNVBAGLBSA-N 1 0 304.306 1.717 20 5 DDBDRO Cc1cccc2sc(OC(=O)C[C@@H](O)C[N+](C)(C)C)nc21 ZINC001229931256 884238124 /nfs/dbraw/zinc/23/81/24/884238124.db2.gz WKNYIBJPNONJGV-LLVKDONJSA-N 1 0 309.411 1.967 20 5 DDBDRO COCCC(=O)NCCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001231010050 885134658 /nfs/dbraw/zinc/13/46/58/885134658.db2.gz IDHWPLAYMFPDIA-UHFFFAOYSA-N 1 0 309.366 1.569 20 5 DDBDRO NC(=O)[C@@H]1CN(Cc2ccc3ccc4cccnc4c3n2)CCO1 ZINC001232221543 886168468 /nfs/dbraw/zinc/16/84/68/886168468.db2.gz AKYOVOCQOPFFRJ-HNNXBMFYSA-N 1 0 322.368 1.469 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc(F)c2c1C(=O)CC2 ZINC001233700638 887235447 /nfs/dbraw/zinc/23/54/47/887235447.db2.gz CXMDDKQGCHZHIT-SNVBAGLBSA-N 1 0 310.345 1.317 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc(F)c(F)c1Cl ZINC001234233151 887771620 /nfs/dbraw/zinc/77/16/20/887771620.db2.gz AAWXZSZNOKUNSI-MRVPVSSYSA-N 1 0 308.732 1.981 20 5 DDBDRO C[N@H+](CCCNC(=O)c1ccn[nH]1)Cc1ccccc1[N+](=O)[O-] ZINC001234245085 887785428 /nfs/dbraw/zinc/78/54/28/887785428.db2.gz ZKDWXKFBZLBKTB-UHFFFAOYSA-N 1 0 317.349 1.570 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc([C@H]2CCC(=O)N2)cc1 ZINC001234492628 888025981 /nfs/dbraw/zinc/02/59/81/888025981.db2.gz UNRBCKMOMDYYMS-UKRRQHHQSA-O 1 0 321.397 1.000 20 5 DDBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(O[C@@H]2CCC[N@@H+](C)CC2)n1 ZINC001234908138 888243162 /nfs/dbraw/zinc/24/31/62/888243162.db2.gz DHZBPFKPWQMDKB-LLVKDONJSA-N 1 0 323.353 1.515 20 5 DDBDRO COc1ccc(C[C@H](C)[NH2+][C@H]2CCNC[C@H]2F)c([N+](=O)[O-])c1 ZINC001246087555 892408184 /nfs/dbraw/zinc/40/81/84/892408184.db2.gz OZWDOPFCTPYFKC-GDLCADMTSA-N 1 0 311.357 1.824 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2C[C@@H](C)[C@H]([NH3+])C2)c1F ZINC001246566733 892702182 /nfs/dbraw/zinc/70/21/82/892702182.db2.gz JQGALRWEWUAGOS-CKYFFXLPSA-N 1 0 311.357 1.953 20 5 DDBDRO N[C@@H](C[NH3+])Cc1nc(-c2ccc3ccc4cccnc4c3n2)no1 ZINC001249129507 893835389 /nfs/dbraw/zinc/83/53/89/893835389.db2.gz UXOLZWPZLSHCQD-GFCCVEGCSA-N 1 0 320.356 1.662 20 5 DDBDRO CC(C)[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C(N)=O ZINC001254466576 896452970 /nfs/dbraw/zinc/45/29/70/896452970.db2.gz DTHYRMNCNRUVBL-HNNXBMFYSA-N 1 0 320.393 1.663 20 5 DDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CCS(=O)(=O)CC1 ZINC001254535454 896491670 /nfs/dbraw/zinc/49/16/70/896491670.db2.gz KBZKGHRWBFNOTD-NSHDSACASA-N 1 0 312.391 1.693 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N1CC[NH+]([C@H]2CCOC2)CC1 ZINC001254550561 896498381 /nfs/dbraw/zinc/49/83/81/896498381.db2.gz LSQIVHBUAWKOPN-ZBFHGGJFSA-N 1 0 319.405 1.932 20 5 DDBDRO CC(=O)N1CCC([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254572824 896507579 /nfs/dbraw/zinc/50/75/79/896507579.db2.gz SPJVFCWTDSCEKB-OAHLLOKOSA-N 1 0 303.362 1.663 20 5 DDBDRO COc1nccc(C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)n1 ZINC001254577597 896511219 /nfs/dbraw/zinc/51/12/19/896511219.db2.gz FWWOMOADWWEAMA-CYBMUJFWSA-N 1 0 300.318 1.650 20 5 DDBDRO O=C1NC2(CO1)CC[NH+]([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)CC2 ZINC001254608879 896531106 /nfs/dbraw/zinc/53/11/06/896531106.db2.gz STEMZDPRKUJUHP-AWEZNQCLSA-N 1 0 317.345 1.636 20 5 DDBDRO COc1cc(N2CCC(N3CC([NH3+])C3)CC2)ccc1[N+](=O)[O-] ZINC001256084366 897277134 /nfs/dbraw/zinc/27/71/34/897277134.db2.gz AYENDDUFFSKIDO-UHFFFAOYSA-N 1 0 306.366 1.215 20 5 DDBDRO COc1cc(N2CCC([NH+]3CC(OC)C3)CC2)ccc1[N+](=O)[O-] ZINC001256093588 897281206 /nfs/dbraw/zinc/28/12/06/897281206.db2.gz AGAVNLHAWOVVPX-UHFFFAOYSA-N 1 0 321.377 1.903 20 5 DDBDRO C[C@@H](CNC(=O)NC[C@H]1CCC[NH2+]1)c1ccccc1[N+](=O)[O-] ZINC001262584399 900262580 /nfs/dbraw/zinc/26/25/80/900262580.db2.gz BALUULVPCBPNBW-NWDGAFQWSA-N 1 0 306.366 1.750 20 5 DDBDRO COCCO[C@H]1C[C@H](CO)C[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000278261684 214054048 /nfs/dbraw/zinc/05/40/48/214054048.db2.gz IGZVKZREEOZTEX-ZFWWWQNUSA-N 1 0 324.377 1.441 20 5 DDBDRO CN(CC[NH+](C)C)C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000127092528 282091589 /nfs/dbraw/zinc/09/15/89/282091589.db2.gz ZFUWHIWQHUSYKW-UHFFFAOYSA-N 1 0 317.349 1.414 20 5 DDBDRO CN(C)C(=O)CC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447559608 230477206 /nfs/dbraw/zinc/47/72/06/230477206.db2.gz AEKGIIVRQDOAEW-NEPJUHHUSA-N 1 0 309.370 1.343 20 5 DDBDRO [NH3+][C@H]1CCC[C@@H](CNC(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000449637619 230624429 /nfs/dbraw/zinc/62/44/29/230624429.db2.gz HBFIWPNVWPZGMJ-NEPJUHHUSA-N 1 0 307.350 1.607 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@]1(O)CCO[C@H]1C ZINC000278632771 214290051 /nfs/dbraw/zinc/29/00/51/214290051.db2.gz KVMFACUMQRARQZ-XHDPSFHLSA-N 1 0 310.350 1.623 20 5 DDBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2C[C@H](O)C[C@@H]2[C@H]2CCCOC2)cc1 ZINC000451306469 231063078 /nfs/dbraw/zinc/06/30/78/231063078.db2.gz YHKCGJXGGUVPCI-USXIJHARSA-N 1 0 320.389 1.999 20 5 DDBDRO C[C@H](O)C[N@@H+]1CCN(CCOc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000249484538 282159743 /nfs/dbraw/zinc/15/97/43/282159743.db2.gz CFVYQIUFZHGWTD-KGLIPLIRSA-N 1 0 323.393 1.361 20 5 DDBDRO C[C@@H]1CN(CCOc2cccc([N+](=O)[O-])c2)C[C@H](C)[N@H+]1CCO ZINC000451670654 231158292 /nfs/dbraw/zinc/15/82/92/231158292.db2.gz XCBJGROEUHDYDR-OKILXGFUSA-N 1 0 323.393 1.361 20 5 DDBDRO CC[C@@H]1[C@H](CO)CC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000451263371 529485569 /nfs/dbraw/zinc/48/55/69/529485569.db2.gz YUTPSTXYJUQYIG-MELADBBJSA-N 1 0 324.377 1.427 20 5 DDBDRO C[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](C)c1ccccc1 ZINC000181538595 199313605 /nfs/dbraw/zinc/31/36/05/199313605.db2.gz UXNABOXEBFOIOG-ZENOOKHLSA-N 1 0 318.377 1.934 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)NCc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000454289760 529797564 /nfs/dbraw/zinc/79/75/64/529797564.db2.gz MGPJWRSGQBFESH-OCCSQVGLSA-N 1 0 304.350 1.440 20 5 DDBDRO COC[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccccc1 ZINC000181651000 199332703 /nfs/dbraw/zinc/33/27/03/199332703.db2.gz MDYRXTUOVUPFMV-HNNXBMFYSA-N 1 0 317.345 1.734 20 5 DDBDRO C[NH+](C)C1CCN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC1 ZINC000181669730 199336074 /nfs/dbraw/zinc/33/60/74/199336074.db2.gz FYFAXNKUAPGHIE-UHFFFAOYSA-N 1 0 321.333 1.490 20 5 DDBDRO C[NH2+]CCCN(C)C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000424033317 529964351 /nfs/dbraw/zinc/96/43/51/529964351.db2.gz NZCWWVYPSXGXOO-UHFFFAOYSA-N 1 0 317.349 1.462 20 5 DDBDRO C[NH2+]CCCNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000417992007 529968383 /nfs/dbraw/zinc/96/83/83/529968383.db2.gz NWEXVCKGKRRPAS-UHFFFAOYSA-N 1 0 314.773 1.699 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1N1CC[N@H+](C)[C@H](Cc2ccccc2)C1 ZINC000286744964 219142807 /nfs/dbraw/zinc/14/28/07/219142807.db2.gz NYDGFYQURNWLKX-CQSZACIVSA-N 1 0 315.377 1.691 20 5 DDBDRO CN(CC(=O)N[C@H]1CCC[C@H]1C[NH3+])c1ccccc1[N+](=O)[O-] ZINC000262595658 282356078 /nfs/dbraw/zinc/35/60/78/282356078.db2.gz UPUIWYODXLAWRJ-RYUDHWBXSA-N 1 0 306.366 1.275 20 5 DDBDRO C[NH2+][C@@H]1CCCN(C(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000417757631 530043584 /nfs/dbraw/zinc/04/35/84/530043584.db2.gz BKEKAYFUJHCNHV-CYBMUJFWSA-N 1 0 306.366 1.531 20 5 DDBDRO C[N@@H+]1CCC[C@H]1CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000299331515 530063584 /nfs/dbraw/zinc/06/35/84/530063584.db2.gz ZKFYKYRDCFOUES-NSHDSACASA-N 1 0 302.334 1.900 20 5 DDBDRO C[NH+](C)[C@H]1CCCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000181701189 199341115 /nfs/dbraw/zinc/34/11/15/199341115.db2.gz KUGGJRGCWGRGGD-KBPBESRZSA-N 1 0 323.393 1.361 20 5 DDBDRO C[NH+](C)[C@@H](CNc1ncc([N+](=O)[O-])c(N)n1)C1CCCCC1 ZINC000301176179 229544461 /nfs/dbraw/zinc/54/44/61/229544461.db2.gz WULHNTPXPRLSOA-NSHDSACASA-N 1 0 308.386 1.889 20 5 DDBDRO Cc1ccc([C@@H](C)[NH2+]CCN2C(=O)CNC2=O)cc1[N+](=O)[O-] ZINC000181808977 199355421 /nfs/dbraw/zinc/35/54/21/199355421.db2.gz HJXLQJQKXMVGBZ-SNVBAGLBSA-N 1 0 306.322 1.106 20 5 DDBDRO C[C@H](C[C@H](C)[NH3+])Nc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000320314217 290819218 /nfs/dbraw/zinc/81/92/18/290819218.db2.gz KGAGXQLINUQDQH-DTWKUNHWSA-N 1 0 301.368 1.536 20 5 DDBDRO CC(C)(C[NH3+])C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000150708550 186058451 /nfs/dbraw/zinc/05/84/51/186058451.db2.gz FSDMKIKNCKAXAK-UHFFFAOYSA-N 1 0 306.366 1.228 20 5 DDBDRO O=C([C@@H]1CCC[NH2+]C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000194283187 186276598 /nfs/dbraw/zinc/27/65/98/186276598.db2.gz JIHCDRVTKRIZOQ-CYBMUJFWSA-N 1 0 318.377 1.243 20 5 DDBDRO O=C(CN1CC[NH+](C2CCC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000265148239 186340796 /nfs/dbraw/zinc/34/07/96/186340796.db2.gz SAZWRPFEIJYBQB-UHFFFAOYSA-N 1 0 318.377 1.703 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H](C[NH+](C)C)C2)c1 ZINC000172209096 198058808 /nfs/dbraw/zinc/05/88/08/198058808.db2.gz GTTROJMMXILVRQ-LLVKDONJSA-N 1 0 307.350 1.627 20 5 DDBDRO CC(C)NC(=O)CC[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000026595121 352210001 /nfs/dbraw/zinc/21/00/01/352210001.db2.gz LRJCLBURVNAIIG-UHFFFAOYSA-N 1 0 321.381 1.027 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H](O)C1 ZINC000041886267 352317565 /nfs/dbraw/zinc/31/75/65/352317565.db2.gz KXTQGDIXDZKNRI-ZDUSSCGKSA-N 1 0 307.350 1.689 20 5 DDBDRO CN(C)C(=O)CC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000046502312 352455023 /nfs/dbraw/zinc/45/50/23/352455023.db2.gz VCBWYWQSVDLZTR-UHFFFAOYSA-N 1 0 306.366 1.195 20 5 DDBDRO COCC[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000048023419 352521287 /nfs/dbraw/zinc/52/12/87/352521287.db2.gz NUPHTBALNDPNRZ-AWEZNQCLSA-N 1 0 310.350 1.445 20 5 DDBDRO O=C(NCCC[NH+]1CCCC1)NCCc1ccc([N+](=O)[O-])cc1 ZINC000054645780 352699550 /nfs/dbraw/zinc/69/95/50/352699550.db2.gz OTJVRKONAGEDQW-UHFFFAOYSA-N 1 0 320.393 1.922 20 5 DDBDRO COCCN(CC[NH+](C)C)C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000491533872 234196178 /nfs/dbraw/zinc/19/61/78/234196178.db2.gz RRZXFQPALMDPCA-FPLPWBNLSA-N 1 0 321.377 1.645 20 5 DDBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000173213423 198196477 /nfs/dbraw/zinc/19/64/77/198196477.db2.gz RHBTUNGJJKYYNF-DOMZBBRYSA-N 1 0 305.378 1.936 20 5 DDBDRO C[C@H](CNC(=O)Cn1ccc([N+](=O)[O-])n1)[N@@H+]1CCC[C@@H](C)C1 ZINC000063749474 352923451 /nfs/dbraw/zinc/92/34/51/352923451.db2.gz STEKDNZZAHAXKO-VXGBXAGGSA-N 1 0 309.370 1.028 20 5 DDBDRO CC[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CC1 ZINC000060793620 352879928 /nfs/dbraw/zinc/87/99/28/352879928.db2.gz KRVHGTKSUPRYPT-UHFFFAOYSA-N 1 0 320.393 1.875 20 5 DDBDRO CC[C@H](C)[N@H+](C)CCNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000066126023 352978892 /nfs/dbraw/zinc/97/88/92/352978892.db2.gz XTUCIRDSTQOMJV-LBPRGKRZSA-N 1 0 309.366 1.820 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](CCO)C1CC1 ZINC000067965659 353077862 /nfs/dbraw/zinc/07/78/62/353077862.db2.gz ALTOXTLVHMPWPH-UHFFFAOYSA-N 1 0 307.350 1.689 20 5 DDBDRO C[C@@H](CNC(=O)COc1ccccc1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000068219488 353096842 /nfs/dbraw/zinc/09/68/42/353096842.db2.gz VYWDVVUVJBBHSZ-NSHDSACASA-N 1 0 307.350 1.573 20 5 DDBDRO COCCC[N@H+](C)CCNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000173917852 198269148 /nfs/dbraw/zinc/26/91/48/198269148.db2.gz VFHWSSFLODKQGQ-UHFFFAOYSA-N 1 0 309.366 1.222 20 5 DDBDRO CC(C)(C)[C@H]([NH3+])C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000564992997 304034236 /nfs/dbraw/zinc/03/42/36/304034236.db2.gz WPKRLJVNDNCKQP-GFCCVEGCSA-N 1 0 309.370 1.328 20 5 DDBDRO Cc1cc([C@@H]2CCC[N@@H+]2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)on1 ZINC000075640526 353373716 /nfs/dbraw/zinc/37/37/16/353373716.db2.gz YZVOIEBLZPHMMN-STQMWFEESA-N 1 0 321.337 1.286 20 5 DDBDRO CN(CC[NH+](C)C)c1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000080684619 353623079 /nfs/dbraw/zinc/62/30/79/353623079.db2.gz LSROSFIAMLWTMK-UHFFFAOYSA-N 1 0 306.366 1.485 20 5 DDBDRO C[NH+](C)[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC1 ZINC000277092504 213287407 /nfs/dbraw/zinc/28/74/07/213287407.db2.gz BOWMVZSQGCKJNI-JTQLQIEISA-N 1 0 308.338 1.252 20 5 DDBDRO NC(=O)C[C@@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000083217010 353707834 /nfs/dbraw/zinc/70/78/34/353707834.db2.gz ZIBXUOZFOJZCET-JTQLQIEISA-N 1 0 318.333 1.823 20 5 DDBDRO CCOc1cc(N2CCC([NH2+]CCO)CC2)ccc1[N+](=O)[O-] ZINC000092689461 353868014 /nfs/dbraw/zinc/86/80/14/353868014.db2.gz PUOFHURXRIKZKU-UHFFFAOYSA-N 1 0 309.366 1.544 20 5 DDBDRO CCOC(=O)C1(C)CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000092823357 353870844 /nfs/dbraw/zinc/87/08/44/353870844.db2.gz AQEOEBMTVOVPSP-UHFFFAOYSA-N 1 0 310.354 1.457 20 5 DDBDRO Cc1c(NC(=O)CC[N@H+]2CC[C@H](C)[C@H](O)C2)cccc1[N+](=O)[O-] ZINC000093333210 353895999 /nfs/dbraw/zinc/89/59/99/353895999.db2.gz RFDFFFVWCCRSRD-XHDPSFHLSA-N 1 0 321.377 1.935 20 5 DDBDRO C[N@@H+]1CCC[C@H](CNC(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000108346736 353951513 /nfs/dbraw/zinc/95/15/13/353951513.db2.gz GELRCCKKJUEHSV-GFCCVEGCSA-N 1 0 307.350 1.432 20 5 DDBDRO COc1cc(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000160961759 354241845 /nfs/dbraw/zinc/24/18/45/354241845.db2.gz JAVAQVYFLLLXKO-ZJUUUORDSA-N 1 0 323.349 1.612 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)NC2CC[NH+](CC3CC3)CC2)n1 ZINC000191778425 354288734 /nfs/dbraw/zinc/28/87/34/354288734.db2.gz BXRMXGKAPUNIMO-UHFFFAOYSA-N 1 0 321.381 1.415 20 5 DDBDRO CC[C@H]1CN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000251571052 354382295 /nfs/dbraw/zinc/38/22/95/354382295.db2.gz BWNXOFHTKQEBPM-WDEREUQCSA-N 1 0 313.379 1.343 20 5 DDBDRO COc1cc(C(=O)N2CC[C@@H](C)[C@@H]([NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000320590092 354528052 /nfs/dbraw/zinc/52/80/52/354528052.db2.gz QERCYXBVQNMSOW-KOLCDFICSA-N 1 0 323.349 1.421 20 5 DDBDRO COc1cc(C(=O)N[C@](C)(C[NH3+])C2CC2)c([N+](=O)[O-])cc1OC ZINC000322705344 354538620 /nfs/dbraw/zinc/53/86/20/354538620.db2.gz MURGXNHGVWRDPP-OAHLLOKOSA-N 1 0 323.349 1.469 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000320116862 354524492 /nfs/dbraw/zinc/52/44/92/354524492.db2.gz OOMXOIHKIISLFJ-ZJUUUORDSA-N 1 0 301.368 1.307 20 5 DDBDRO C[NH2+]Cc1ccccc1CNC(=O)c1cc([N+](=O)[O-])cn1C ZINC000404526276 354675834 /nfs/dbraw/zinc/67/58/34/354675834.db2.gz SXDLBVWJZDETPL-UHFFFAOYSA-N 1 0 302.334 1.583 20 5 DDBDRO C[C@H](NC(=O)c1c[nH]nc1[N+](=O)[O-])[C@H](c1ccccc1)[NH+](C)C ZINC000588683517 354928335 /nfs/dbraw/zinc/92/83/35/354928335.db2.gz KTJAEZAPSSJIGT-GXFFZTMASA-N 1 0 317.349 1.739 20 5 DDBDRO Cc1c(C(=O)N2CC[C@@H]([N@@H+]3CC[C@@H](O)C3)C2)cccc1[N+](=O)[O-] ZINC000588860601 354943327 /nfs/dbraw/zinc/94/33/27/354943327.db2.gz JYQOATUSLJYVOG-CHWSQXEVSA-N 1 0 319.361 1.184 20 5 DDBDRO COC[C@@H]1CC[N@H+](Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C1 ZINC000589498394 354996993 /nfs/dbraw/zinc/99/69/93/354996993.db2.gz UQKZMVWBDWSYCG-LLVKDONJSA-N 1 0 308.334 1.850 20 5 DDBDRO CCc1ccc(C(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000590044199 355042513 /nfs/dbraw/zinc/04/25/13/355042513.db2.gz IFRXHFZPJYPXOM-DZGCQCFKSA-N 1 0 303.362 1.933 20 5 DDBDRO O=C1NC2(CO1)CC[NH+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC2 ZINC000495141153 235131336 /nfs/dbraw/zinc/13/13/36/235131336.db2.gz RLXHNDRAKAEGBD-CYBMUJFWSA-N 1 0 321.333 1.203 20 5 DDBDRO CCOc1cc(C[N@H+](C[C@H](C)O)[C@H](C)CO)ccc1[N+](=O)[O-] ZINC000276972766 213210779 /nfs/dbraw/zinc/21/07/79/213210779.db2.gz XFELUBQVIIKZMC-NEPJUHHUSA-N 1 0 312.366 1.557 20 5 DDBDRO C[N@@H+]1C[C@H]2CCN(C(=O)CCOc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000590446890 355099428 /nfs/dbraw/zinc/09/94/28/355099428.db2.gz WVSFCDSZUZUFFU-TZMCWYRMSA-N 1 0 319.361 1.526 20 5 DDBDRO C[N@@H+]1C[C@H]2CCN(C(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)[C@H]2C1 ZINC000590446623 355099767 /nfs/dbraw/zinc/09/97/67/355099767.db2.gz TYJAIVXHGVBAHF-YGRLFVJLSA-N 1 0 314.345 1.852 20 5 DDBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]C[C@H](O)C1CCC1)OCCO2 ZINC000590663620 355139580 /nfs/dbraw/zinc/13/95/80/355139580.db2.gz LPLYJKRTPDTEEC-ZDUSSCGKSA-N 1 0 308.334 1.617 20 5 DDBDRO O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000590900050 355208655 /nfs/dbraw/zinc/20/86/55/355208655.db2.gz UDTAYHFUMDEARS-GHMZBOCLSA-N 1 0 314.345 1.758 20 5 DDBDRO C[C@@H]1CC(=O)NCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000591022085 355234281 /nfs/dbraw/zinc/23/42/81/355234281.db2.gz NFFDLIVVGSMHGY-LLVKDONJSA-N 1 0 320.349 1.134 20 5 DDBDRO C[NH+]1CCC(N2CC[C@@H](Nc3ncc([N+](=O)[O-])cc3F)C2)CC1 ZINC000591147597 355254825 /nfs/dbraw/zinc/25/48/25/355254825.db2.gz STIJRALQIWJLHN-LLVKDONJSA-N 1 0 323.372 1.709 20 5 DDBDRO COC(=O)c1cc(C)nc(N2CC[C@H]3CC[NH2+][C@H]3C2)c1[N+](=O)[O-] ZINC000591437269 355310696 /nfs/dbraw/zinc/31/06/96/355310696.db2.gz FTCQCVQNZKYJAU-PWSUYJOCSA-N 1 0 320.349 1.273 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC000591534391 355324492 /nfs/dbraw/zinc/32/44/92/355324492.db2.gz AHTTUCVQQBOUDM-DOMZBBRYSA-N 1 0 303.362 1.988 20 5 DDBDRO C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000591737474 355375721 /nfs/dbraw/zinc/37/57/21/355375721.db2.gz BQCOUIUURCZYSH-DIOULYMOSA-N 1 0 316.361 1.675 20 5 DDBDRO C[C@@H]1C[C@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CS1 ZINC000591771011 355382145 /nfs/dbraw/zinc/38/21/45/355382145.db2.gz JPTFAXFPRJJYON-MDZLAQPJSA-N 1 0 312.391 1.818 20 5 DDBDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000591682058 355361186 /nfs/dbraw/zinc/36/11/86/355361186.db2.gz SQPCHFWGONVZBX-QWRGUYRKSA-N 1 0 314.345 1.952 20 5 DDBDRO CC[C@@H]1CN(C(=O)CCNc2ccccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000592332345 355561274 /nfs/dbraw/zinc/56/12/74/355561274.db2.gz WXGFFSMHJFMJRG-CHWSQXEVSA-N 1 0 320.393 1.983 20 5 DDBDRO Cn1c(C(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC000592253685 355547764 /nfs/dbraw/zinc/54/77/64/355547764.db2.gz KWOJTHZTBFZVFI-QWHCGFSZSA-N 1 0 320.393 1.785 20 5 DDBDRO C[NH+](C)C(C)(C)CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000592336787 355561846 /nfs/dbraw/zinc/56/18/46/355561846.db2.gz YVGQUSUFCFZQLE-UHFFFAOYSA-N 1 0 309.322 1.394 20 5 DDBDRO C[C@H]([NH3+])[C@H]1CN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000592306641 355556174 /nfs/dbraw/zinc/55/61/74/355556174.db2.gz DLCQCRFUARTWSV-SMDDNHRTSA-N 1 0 321.377 1.447 20 5 DDBDRO Cc1c(CC(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)cccc1[N+](=O)[O-] ZINC000592308980 355556259 /nfs/dbraw/zinc/55/62/59/355556259.db2.gz PMJGWBRAORJMAS-FZMZJTMJSA-N 1 0 307.350 1.020 20 5 DDBDRO O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1C[C@H]1CC[NH2+]C1 ZINC000592158949 355522117 /nfs/dbraw/zinc/52/21/17/355522117.db2.gz ZMAGTYZSZJYEDZ-NSHDSACASA-N 1 0 300.318 1.428 20 5 DDBDRO CC1([NH3+])CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000592331117 355560409 /nfs/dbraw/zinc/56/04/09/355560409.db2.gz IEOLPBFMYCTWGF-UHFFFAOYSA-N 1 0 321.333 1.319 20 5 DDBDRO CCO[C@@H]1C[C@@H]([NH2+]CCn2ccc([N+](=O)[O-])n2)[C@@H]1SC ZINC000592166712 355523771 /nfs/dbraw/zinc/52/37/71/355523771.db2.gz JHEULRIHEFXYAO-FOGDFJRCSA-N 1 0 300.384 1.290 20 5 DDBDRO CC1([NH3+])CCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000592485009 355596316 /nfs/dbraw/zinc/59/63/16/355596316.db2.gz NFNMMRDEZANSPK-AWEZNQCLSA-N 1 0 318.377 1.513 20 5 DDBDRO CCOc1ccc(C(=O)N2CCC(C)([NH3+])CC2)cc1[N+](=O)[O-] ZINC000592543948 355622365 /nfs/dbraw/zinc/62/23/65/355622365.db2.gz ZLILXOTUJGRVEP-UHFFFAOYSA-N 1 0 307.350 1.947 20 5 DDBDRO O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000592544900 355623232 /nfs/dbraw/zinc/62/32/32/355623232.db2.gz JQGOPQQICBUDJQ-ONGXEEELSA-N 1 0 319.317 1.148 20 5 DDBDRO O=C(CN1C[C@@H]2C[C@H]1C[NH2+]2)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000601327015 358498427 /nfs/dbraw/zinc/49/84/27/358498427.db2.gz JTWDHJHFWVTNIR-WPRPVWTQSA-N 1 0 310.741 1.233 20 5 DDBDRO CC(C)([NH3+])CCC(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000592965844 355757473 /nfs/dbraw/zinc/75/74/73/355757473.db2.gz SSUXJZQYUYHRAW-LLVKDONJSA-N 1 0 321.381 1.520 20 5 DDBDRO CCc1cccc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000592998764 355765563 /nfs/dbraw/zinc/76/55/63/355765563.db2.gz VOJUBMWBSXHMAE-HNNXBMFYSA-N 1 0 304.350 1.504 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1[C@H](C)C[N@H+](C)[C@H](C)[C@@H]1C ZINC000593187605 355819668 /nfs/dbraw/zinc/81/96/68/355819668.db2.gz MKHPHXODYNUZKI-JLLWLGSASA-N 1 0 306.366 1.851 20 5 DDBDRO CN(CC[NH+]1CCCCC1)C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000593882881 356040122 /nfs/dbraw/zinc/04/01/22/356040122.db2.gz KSSSUKQBYZCWTQ-UHFFFAOYSA-N 1 0 323.397 1.471 20 5 DDBDRO Nc1c(C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc(F)cc1[N+](=O)[O-] ZINC000593914115 356057318 /nfs/dbraw/zinc/05/73/18/356057318.db2.gz GWSVHUCXEUDASY-VFZGTOFNSA-N 1 0 322.340 1.517 20 5 DDBDRO C[C@H]1CCCN(C(=O)COc2ccc([N+](=O)[O-])cc2)[C@H]1CC[NH3+] ZINC000593915310 356057887 /nfs/dbraw/zinc/05/78/87/356057887.db2.gz IPQNVLBKHKROTM-WFASDCNBSA-N 1 0 321.377 1.950 20 5 DDBDRO CN(CC(=O)NCCC1CC[NH2+]CC1)c1ccccc1[N+](=O)[O-] ZINC000593919469 356061473 /nfs/dbraw/zinc/06/14/73/356061473.db2.gz SOQLQONAEBJUKL-UHFFFAOYSA-N 1 0 320.393 1.537 20 5 DDBDRO CNc1ccc(C(=O)NCCC2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000593920089 356061721 /nfs/dbraw/zinc/06/17/21/356061721.db2.gz XATOADUFULCRGW-UHFFFAOYSA-N 1 0 306.366 1.756 20 5 DDBDRO COCC[N@H+](C)C[C@H](O)CN[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000593969922 356077032 /nfs/dbraw/zinc/07/70/32/356077032.db2.gz GNYIHCASRJFJJM-QWHCGFSZSA-N 1 0 311.382 1.185 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@H](OC3CCC3)C2)c1 ZINC000594027792 356094196 /nfs/dbraw/zinc/09/41/96/356094196.db2.gz ZVFYKPXMTXZKLD-HIFRSBDPSA-N 1 0 324.381 1.186 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000594405639 356199668 /nfs/dbraw/zinc/19/96/68/356199668.db2.gz YWBKETSJOCVPIR-AOOOYVTPSA-N 1 0 309.370 1.511 20 5 DDBDRO COCC1(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000594577318 356254071 /nfs/dbraw/zinc/25/40/71/356254071.db2.gz LFLORSLJBTULHJ-LBPRGKRZSA-N 1 0 310.350 1.351 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1CN[C@@H](C[NH3+])C(F)(F)F ZINC000594583266 356256065 /nfs/dbraw/zinc/25/60/65/356256065.db2.gz GHBKGJFWRRNXEU-NSHDSACASA-N 1 0 307.272 1.973 20 5 DDBDRO COc1ccc(C[NH2+][C@@H]2CCc3c(nnn3C)C2)cc1[N+](=O)[O-] ZINC000594515255 356241610 /nfs/dbraw/zinc/24/16/10/356241610.db2.gz LXQWYTYPVOPIDH-LLVKDONJSA-N 1 0 317.349 1.379 20 5 DDBDRO C[C@@H]1CCC[C@H](C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)O1 ZINC000594733045 356300591 /nfs/dbraw/zinc/30/05/91/356300591.db2.gz PRGWMIFCSHNSBT-XNRPHZJLSA-N 1 0 324.377 1.882 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCN1CCO[C@H](C)C1 ZINC000595012866 356372392 /nfs/dbraw/zinc/37/23/92/356372392.db2.gz PLRSZTIHVAKUHU-OLZOCXBDSA-N 1 0 323.393 1.975 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N(C)CC(C)(C)[NH3+])c1C ZINC000595115534 356384588 /nfs/dbraw/zinc/38/45/88/356384588.db2.gz HMNACPSYVDOUMU-UHFFFAOYSA-N 1 0 315.395 1.569 20 5 DDBDRO Cc1cc(S(=O)(=O)N2CCC[NH2+]CC2)c(F)cc1[N+](=O)[O-] ZINC000601337712 358505449 /nfs/dbraw/zinc/50/54/49/358505449.db2.gz DGCSGAJASFMYSK-UHFFFAOYSA-N 1 0 317.342 1.026 20 5 DDBDRO CCc1n[nH]c(C(=O)N[C@@H](CC)C[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000618215218 363517377 /nfs/dbraw/zinc/51/73/77/363517377.db2.gz MGXKZVCKUSVJAH-JTQLQIEISA-N 1 0 309.370 1.485 20 5 DDBDRO C[C@H]1C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@]1(C)CO ZINC000595871950 356687228 /nfs/dbraw/zinc/68/72/28/356687228.db2.gz IXWCYTFQLSDQEG-ZUZCIYMTSA-N 1 0 307.350 1.144 20 5 DDBDRO C[NH2+]CCCC(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000237144169 202165926 /nfs/dbraw/zinc/16/59/26/202165926.db2.gz KKDXVSVOJAUWBN-LLVKDONJSA-N 1 0 307.354 1.002 20 5 DDBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)NCC12CC(C1)C[NH2+]2 ZINC000595987252 356736511 /nfs/dbraw/zinc/73/65/11/356736511.db2.gz KUQLKJXICCCPAN-UHFFFAOYSA-N 1 0 307.375 1.555 20 5 DDBDRO C[C@@]1(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC[NH2+]C1 ZINC000595993107 356739348 /nfs/dbraw/zinc/73/93/48/356739348.db2.gz VRNLSHCAQDBDGD-OAHLLOKOSA-N 1 0 315.333 1.262 20 5 DDBDRO Cc1ccc([C@H](C)NC(=O)[C@H]2CCO[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000595940870 356715088 /nfs/dbraw/zinc/71/50/88/356715088.db2.gz JDICVYOLOGWCIV-JKOKRWQUSA-N 1 0 307.350 1.444 20 5 DDBDRO COc1ccc(CC(=O)NCC2([NH3+])CCCC2)cc1[N+](=O)[O-] ZINC000595942808 356715678 /nfs/dbraw/zinc/71/56/78/356715678.db2.gz ZRWLKFJPZKJHHH-UHFFFAOYSA-N 1 0 307.350 1.534 20 5 DDBDRO CO[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000276918306 213175355 /nfs/dbraw/zinc/17/53/55/213175355.db2.gz GUAZGTIKSYVVMT-VNHYZAJKSA-N 1 0 324.377 1.882 20 5 DDBDRO NC(=O)c1cc(NC2CC[NH+](CC3CC3)CC2)ccc1[N+](=O)[O-] ZINC000596088000 356768046 /nfs/dbraw/zinc/76/80/46/356768046.db2.gz JZIJQHHVNMXMPQ-UHFFFAOYSA-N 1 0 318.377 1.980 20 5 DDBDRO Cc1nc(N2CCC([N@@H+]3CCCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000596268565 356838918 /nfs/dbraw/zinc/83/89/18/356838918.db2.gz LYISSEVTOUWBAP-UHFFFAOYSA-N 1 0 320.393 1.989 20 5 DDBDRO COc1cc(C(=O)N[C@H]2CCCC[C@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000237273481 202212326 /nfs/dbraw/zinc/21/23/26/202212326.db2.gz JFLDRBOBYYJEPY-RYUDHWBXSA-N 1 0 307.350 1.851 20 5 DDBDRO C[C@]12COC[C@H]1C[N@H+](Cc1cc3c(cc1[N+](=O)[O-])OCCO3)C2 ZINC000597209903 357094763 /nfs/dbraw/zinc/09/47/63/357094763.db2.gz FJOFLBIOCGYQFG-WBMJQRKESA-N 1 0 320.345 1.834 20 5 DDBDRO CN(CCC[NH+](C)C)CCNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000597990477 357408744 /nfs/dbraw/zinc/40/87/44/357408744.db2.gz WWHCZVSDMQGAJR-UHFFFAOYSA-N 1 0 322.409 1.137 20 5 DDBDRO CN(CC1C[NH+](C)C1)C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000598161348 357479026 /nfs/dbraw/zinc/47/90/26/357479026.db2.gz SBVZSIOBSLOOLF-UHFFFAOYSA-N 1 0 313.304 1.436 20 5 DDBDRO C[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1CO ZINC000598652065 357671704 /nfs/dbraw/zinc/67/17/04/357671704.db2.gz WTISVTANRRKVJE-QWHCGFSZSA-N 1 0 321.377 1.874 20 5 DDBDRO O=C(Cn1ccc([N+](=O)[O-])n1)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000598562030 357633729 /nfs/dbraw/zinc/63/37/29/357633729.db2.gz RXHYTUYAFXTHSU-ZDUSSCGKSA-N 1 0 321.381 1.030 20 5 DDBDRO COc1ccc(C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)cc1[N+](=O)[O-] ZINC000598667422 357677509 /nfs/dbraw/zinc/67/75/09/357677509.db2.gz GNJUKGDWYILGSH-IAQYHMDHSA-N 1 0 305.334 1.557 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CC[C@H]1CC1(F)F ZINC000598729951 357706821 /nfs/dbraw/zinc/70/68/21/357706821.db2.gz PASXPYCMHQIIRB-QWRGUYRKSA-N 1 0 316.304 1.969 20 5 DDBDRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598915381 357757827 /nfs/dbraw/zinc/75/78/27/357757827.db2.gz KYPMEZBDTJHGNT-MFKMUULPSA-N 1 0 320.349 1.167 20 5 DDBDRO O=[N+]([O-])c1c2ccncc2ccc1N1CCN2CCOC[C@@H]2C1 ZINC000599064859 357805651 /nfs/dbraw/zinc/80/56/51/357805651.db2.gz GCCASRPLBNQULM-ZDUSSCGKSA-N 1 0 314.345 1.664 20 5 DDBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1C[C@H](C(N)=O)C1 ZINC000599071314 357807641 /nfs/dbraw/zinc/80/76/41/357807641.db2.gz UJKHOLFQZBMACX-CKYFFXLPSA-N 1 0 320.349 1.165 20 5 DDBDRO C[C@H]1CC[C@H](NS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C[NH2+]1 ZINC000599106524 357817612 /nfs/dbraw/zinc/81/76/12/357817612.db2.gz UHONDGPOTSTKPK-JQWIXIFHSA-N 1 0 313.379 1.155 20 5 DDBDRO C[N@@H+]1CCCC[C@H](CNc2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000599137648 357826845 /nfs/dbraw/zinc/82/68/45/357826845.db2.gz ARXAVVKTIVUCLD-SNVBAGLBSA-N 1 0 307.354 1.233 20 5 DDBDRO O=[N+]([O-])c1cnc2ccccc2c1NCC[N@H+]1CC[C@@H](O)C1 ZINC000599175973 357840575 /nfs/dbraw/zinc/84/05/75/357840575.db2.gz LPSGVMSQCJCSPY-LLVKDONJSA-N 1 0 302.334 1.043 20 5 DDBDRO C[C@@H]1C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H](C)C1(F)F ZINC000599512294 357961020 /nfs/dbraw/zinc/96/10/20/357961020.db2.gz HVGFEBSTIIXEKL-JFGNBEQYSA-N 1 0 318.324 1.375 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCC1([NH3+])CCOCC1 ZINC000599601751 357989287 /nfs/dbraw/zinc/98/92/87/357989287.db2.gz YQDWQYIBINBFQH-UHFFFAOYSA-N 1 0 322.365 1.841 20 5 DDBDRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000599605732 357990623 /nfs/dbraw/zinc/99/06/23/357990623.db2.gz ZPIHXDSDIQZXNX-WDEREUQCSA-N 1 0 308.338 1.865 20 5 DDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1COCC[NH2+]1 ZINC000599604902 357990683 /nfs/dbraw/zinc/99/06/83/357990683.db2.gz FCOZYYSCHINCHL-NSHDSACASA-N 1 0 308.338 1.267 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000185067648 199804675 /nfs/dbraw/zinc/80/46/75/199804675.db2.gz DODRPVZYDNLFRH-OASPWFOLSA-N 1 0 305.334 1.413 20 5 DDBDRO CCN(C(=O)c1nn(CC)cc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000599986750 358096849 /nfs/dbraw/zinc/09/68/49/358096849.db2.gz ZCCQXZOZHSDCSM-UHFFFAOYSA-N 1 0 309.370 1.368 20 5 DDBDRO COc1cccc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)c1[N+](=O)[O-] ZINC000599992579 358098747 /nfs/dbraw/zinc/09/87/47/358098747.db2.gz XDUZDYUFIBBGIE-PJXYFTJBSA-N 1 0 305.334 1.235 20 5 DDBDRO COc1cc(C[NH2+]CC[C@@H](O)C(F)F)c([N+](=O)[O-])cc1OC ZINC000601147517 358420930 /nfs/dbraw/zinc/42/09/30/358420930.db2.gz QKKXZBZFJBUFDN-SNVBAGLBSA-N 1 0 320.292 1.718 20 5 DDBDRO C[C@@H](CNC(=O)c1c(F)cccc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000601166460 358429924 /nfs/dbraw/zinc/42/99/24/358429924.db2.gz OFLNHENUPUZMHT-NSHDSACASA-N 1 0 324.356 1.100 20 5 DDBDRO Cc1ccc(S(=O)(=O)NCC2([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000601448440 358557991 /nfs/dbraw/zinc/55/79/91/358557991.db2.gz GVWZHVATQWDWBP-UHFFFAOYSA-N 1 0 313.379 1.276 20 5 DDBDRO CC1(C)C[NH2+]CC[C@@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000601971678 358759139 /nfs/dbraw/zinc/75/91/39/358759139.db2.gz DOELPBCDQHORDH-GFCCVEGCSA-N 1 0 321.377 1.868 20 5 DDBDRO O=C(C[N@@H+]1C[C@@H]2COC[C@@H]2C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000601972370 358760618 /nfs/dbraw/zinc/76/06/18/358760618.db2.gz FMIDLHAQNKHTTD-BETUJISGSA-N 1 0 317.345 1.062 20 5 DDBDRO COc1cc(C(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)cc([N+](=O)[O-])c1OC ZINC000565596597 304078829 /nfs/dbraw/zinc/07/88/29/304078829.db2.gz ITCJXDKNSSUFJE-SCZZXKLOSA-N 1 0 309.322 1.031 20 5 DDBDRO CC1(C)C[NH2+]CC[C@@H](NC(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000601978252 358764008 /nfs/dbraw/zinc/76/40/08/358764008.db2.gz WXDVPANPZIABRM-GFCCVEGCSA-N 1 0 320.393 1.901 20 5 DDBDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1OC ZINC000348154473 283393555 /nfs/dbraw/zinc/39/35/55/283393555.db2.gz WDBZPOIYIRJCJF-CHWSQXEVSA-N 1 0 307.350 1.608 20 5 DDBDRO Cn1cc(CN2CC[NH+](C3CCCCC3)CC2)c([N+](=O)[O-])n1 ZINC000602437705 358975549 /nfs/dbraw/zinc/97/55/49/358975549.db2.gz JQLXLNYBRQLTSG-UHFFFAOYSA-N 1 0 307.398 1.779 20 5 DDBDRO CC[NH+](CC)CC1CCN(Cc2cn(C)nc2[N+](=O)[O-])CC1 ZINC000602440458 358978217 /nfs/dbraw/zinc/97/82/17/358978217.db2.gz PCRFESSGEWPSLB-UHFFFAOYSA-N 1 0 309.414 1.882 20 5 DDBDRO CC(C)[C@H]1C[NH2+]CCN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000602527784 359027131 /nfs/dbraw/zinc/02/71/31/359027131.db2.gz LNCHYLZJVHFNLP-CQSZACIVSA-N 1 0 321.377 1.820 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[NH2+]C23CCC3)c1 ZINC000602535311 359032547 /nfs/dbraw/zinc/03/25/47/359032547.db2.gz XHWNYBPDMJKZBA-CYBMUJFWSA-N 1 0 305.334 1.618 20 5 DDBDRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC000602543013 359035111 /nfs/dbraw/zinc/03/51/11/359035111.db2.gz DNKZVIDZEYHMHI-NWDGAFQWSA-N 1 0 307.350 1.782 20 5 DDBDRO CC[C@H](COC)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602549396 359039414 /nfs/dbraw/zinc/03/94/14/359039414.db2.gz CPJBAIJKBUEYGU-GFCCVEGCSA-N 1 0 308.382 1.973 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCN3CCC3)CC2)cn1 ZINC000602572535 359050598 /nfs/dbraw/zinc/05/05/98/359050598.db2.gz QFKQCVORXZIBFP-UHFFFAOYSA-N 1 0 305.382 1.254 20 5 DDBDRO CN(Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H]1CCNC1=O ZINC000602493069 359013676 /nfs/dbraw/zinc/01/36/76/359013676.db2.gz JPHIAAYVMMETIA-SNVBAGLBSA-N 1 0 317.267 1.934 20 5 DDBDRO [NH3+][C@H]1CCCCCN(C(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000602578973 359053735 /nfs/dbraw/zinc/05/37/35/359053735.db2.gz QCQRFUMJCVEJMP-LBPRGKRZSA-N 1 0 307.350 1.704 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000602592966 359060207 /nfs/dbraw/zinc/06/02/07/359060207.db2.gz WAEUHMRKNZKXKU-PHIMTYICSA-N 1 0 305.334 1.570 20 5 DDBDRO C[C@H](CC[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)[S@@](C)=O ZINC000602595358 359061287 /nfs/dbraw/zinc/06/12/87/359061287.db2.gz WMFUEXPDRHUGFH-AOUSDQRYSA-N 1 0 311.363 1.983 20 5 DDBDRO COC(=O)[C@@H]1CCCC[C@]1(C)[NH2+]CCn1c(C)ncc1[N+](=O)[O-] ZINC000602794544 359196647 /nfs/dbraw/zinc/19/66/47/359196647.db2.gz IGYXTCLCGHBYJY-WFASDCNBSA-N 1 0 324.381 1.811 20 5 DDBDRO C[C@]12C[NH+](Cc3ccccc3[N+](=O)[O-])C[C@]1(C)C(=O)NC2=O ZINC000602732245 359154092 /nfs/dbraw/zinc/15/40/92/359154092.db2.gz REJMGFWBPMFZGH-HUUCEWRRSA-N 1 0 303.318 1.079 20 5 DDBDRO CS[C@@H]1CN(CCn2c(C)ncc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000602797271 359199448 /nfs/dbraw/zinc/19/94/48/359199448.db2.gz IBPQQAYJLGVXTI-VXGBXAGGSA-N 1 0 313.427 1.077 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](CCO)c1ccccc1 ZINC000602803673 359202731 /nfs/dbraw/zinc/20/27/31/359202731.db2.gz ZSCWYWIEFFCURN-AWEZNQCLSA-N 1 0 304.350 1.813 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000602822144 359216132 /nfs/dbraw/zinc/21/61/32/359216132.db2.gz SBXDMTKMXLQUNQ-HNNXBMFYSA-N 1 0 324.381 1.370 20 5 DDBDRO Cc1ncc([C@@H](C)[NH2+]CCn2cc([N+](=O)[O-])ccc2=O)s1 ZINC000602954457 359319495 /nfs/dbraw/zinc/31/94/95/359319495.db2.gz FQKVQOZVRZICEA-SECBINFHSA-N 1 0 308.363 1.872 20 5 DDBDRO C[C@H](C(=O)N[C@H](CO)C[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000603053790 359378016 /nfs/dbraw/zinc/37/80/16/359378016.db2.gz SJTOHIYZWDQHSM-JSGCOSHPSA-N 1 0 321.377 1.271 20 5 DDBDRO Cc1cncc([N+](=O)[O-])c1NC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000602957754 359321879 /nfs/dbraw/zinc/32/18/79/359321879.db2.gz PQZMTIJVSZGBKZ-GFCCVEGCSA-N 1 0 321.381 1.526 20 5 DDBDRO CO[C@@H]1C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)[C@@](C)(CO)C1 ZINC000602964443 359327913 /nfs/dbraw/zinc/32/79/13/359327913.db2.gz PNLVSYXNQSMROH-JKSUJKDBSA-N 1 0 324.377 1.835 20 5 DDBDRO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000348259917 283438155 /nfs/dbraw/zinc/43/81/55/283438155.db2.gz HHYAUBJAQMXMER-MELADBBJSA-N 1 0 324.377 1.739 20 5 DDBDRO C[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)CC1(CO)CC1 ZINC000186803711 200013170 /nfs/dbraw/zinc/01/31/70/200013170.db2.gz IWNDJGNSFCVDBK-CYBMUJFWSA-N 1 0 310.350 1.039 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)CC[N@H+](C)C1CC1 ZINC000186804082 200014648 /nfs/dbraw/zinc/01/46/48/200014648.db2.gz CBYYYISGZVCKEF-UHFFFAOYSA-N 1 0 309.370 1.042 20 5 DDBDRO C[C@@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC[C@@H]1O ZINC000186900490 200028506 /nfs/dbraw/zinc/02/85/06/200028506.db2.gz HPDTXANIZJCYTP-RISCZKNCSA-N 1 0 307.350 1.626 20 5 DDBDRO C[C@H]1COCC[N@@H+]1C1CCN(c2ncc([N+](=O)[O-])cc2F)CC1 ZINC000603400391 359616620 /nfs/dbraw/zinc/61/66/20/359616620.db2.gz HGRXPNSIOMPJDF-NSHDSACASA-N 1 0 324.356 1.818 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NCCC[NH+](C)C ZINC000604103144 359717948 /nfs/dbraw/zinc/71/79/48/359717948.db2.gz LUCYCHPNPMVRRB-UHFFFAOYSA-N 1 0 310.354 1.354 20 5 DDBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@H]1CCCS(=O)(=O)C1 ZINC000565726350 304087182 /nfs/dbraw/zinc/08/71/82/304087182.db2.gz RRMSMFCROGRZGY-RISCZKNCSA-N 1 0 324.402 1.997 20 5 DDBDRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000237558073 202282870 /nfs/dbraw/zinc/28/28/70/202282870.db2.gz YYASXDMHZOJPSF-WDEREUQCSA-N 1 0 318.377 1.992 20 5 DDBDRO C[C@H]1CN(C(=O)CSc2ccc([N+](=O)[O-])cc2)[C@@H](C)C[NH2+]1 ZINC000237605972 202299852 /nfs/dbraw/zinc/29/98/52/202299852.db2.gz VQQRLVNQKJUBIY-QWRGUYRKSA-N 1 0 309.391 1.896 20 5 DDBDRO Cc1c(C(=O)N2CC[NH2+][C@H](C)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000188385253 200237681 /nfs/dbraw/zinc/23/76/81/200237681.db2.gz GDOFMJWJLZOWDU-MRVPVSSYSA-N 1 0 322.321 1.554 20 5 DDBDRO [NH3+][C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C1 ZINC000237842677 202367203 /nfs/dbraw/zinc/36/72/03/202367203.db2.gz JQCZRXNANFBJLT-NSHDSACASA-N 1 0 304.350 1.368 20 5 DDBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CCCn2cncn2)n1 ZINC000618572596 363678403 /nfs/dbraw/zinc/67/84/03/363678403.db2.gz AYJOLHBQMACQNB-OLZOCXBDSA-N 1 0 319.369 1.546 20 5 DDBDRO C[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1CC(C)(C)O ZINC000188688318 200287363 /nfs/dbraw/zinc/28/73/63/200287363.db2.gz OSJCNIZGLJEERF-LBPRGKRZSA-N 1 0 321.377 1.512 20 5 DDBDRO O=C([C@@H]1CCCC[NH2+]1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000237937075 202396342 /nfs/dbraw/zinc/39/63/42/202396342.db2.gz BQPQJGUJESNJLC-HNNXBMFYSA-N 1 0 318.377 1.386 20 5 DDBDRO CCN(CCC[NH+](C)C)C(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000188909922 200320977 /nfs/dbraw/zinc/32/09/77/200320977.db2.gz XYCTYVYHIBDYSJ-UHFFFAOYSA-N 1 0 312.345 1.730 20 5 DDBDRO C[C@H]1[C@@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CCS1(=O)=O ZINC000579376239 422760403 /nfs/dbraw/zinc/76/04/03/422760403.db2.gz KANNUKZGNRMDOC-XDTLVQLUSA-N 1 0 310.375 1.747 20 5 DDBDRO O=[N+]([O-])c1cccc(C[NH2+]CCCN2CCCS2(=O)=O)c1 ZINC000609223613 360274742 /nfs/dbraw/zinc/27/47/42/360274742.db2.gz OCDVIEZLYBRVDN-UHFFFAOYSA-N 1 0 313.379 1.110 20 5 DDBDRO C[N@@H+]1CCC[C@@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000609257960 360277302 /nfs/dbraw/zinc/27/73/02/360277302.db2.gz XYBHVQZVGCUKFM-SECBINFHSA-N 1 0 307.306 1.148 20 5 DDBDRO C[C@]1(C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CCOC1 ZINC000609600614 360331581 /nfs/dbraw/zinc/33/15/81/360331581.db2.gz MORNOPQUIWFVQR-OAHLLOKOSA-N 1 0 308.334 1.882 20 5 DDBDRO C[N@@H+]1CC[C@@H](C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000610070455 360378326 /nfs/dbraw/zinc/37/83/26/360378326.db2.gz AHJHMTNPUKMGBC-CQSZACIVSA-N 1 0 305.378 1.985 20 5 DDBDRO COc1ccc(C[N@H+](C)CCn2ccc([N+](=O)[O-])n2)cc1OC ZINC000610484691 360447465 /nfs/dbraw/zinc/44/74/65/360447465.db2.gz DJSMGXOTRITSBL-UHFFFAOYSA-N 1 0 320.349 1.941 20 5 DDBDRO COc1ccc(C)cc1C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000610335785 360415642 /nfs/dbraw/zinc/41/56/42/360415642.db2.gz NTEHAKSXPWIHGY-CQSZACIVSA-N 1 0 320.349 1.259 20 5 DDBDRO O=C(c1ccc([N+](=O)[O-])cn1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000610768981 360533042 /nfs/dbraw/zinc/53/30/42/360533042.db2.gz NKSLUTLWGNBKAU-UHFFFAOYSA-N 1 0 313.317 1.347 20 5 DDBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCCN(C)C1 ZINC000610804206 360541339 /nfs/dbraw/zinc/54/13/39/360541339.db2.gz UAGUUBGAHRGGOF-OCCSQVGLSA-N 1 0 320.393 1.996 20 5 DDBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCCN(C)C1 ZINC000610804205 360541501 /nfs/dbraw/zinc/54/15/01/360541501.db2.gz UAGUUBGAHRGGOF-JSGCOSHPSA-N 1 0 320.393 1.996 20 5 DDBDRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(c2ccsc2[N+](=O)[O-])CC1 ZINC000611242540 360676836 /nfs/dbraw/zinc/67/68/36/360676836.db2.gz SJOZWHXHZDQLTC-NSHDSACASA-N 1 0 324.406 1.575 20 5 DDBDRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2sccc2[N+](=O)[O-])CC1 ZINC000611413831 360714920 /nfs/dbraw/zinc/71/49/20/360714920.db2.gz ZDCIRLQOTITMGJ-NSHDSACASA-N 1 0 324.406 1.399 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@H](OCC[NH+](C)C)C2)n1 ZINC000611617218 360777209 /nfs/dbraw/zinc/77/72/09/360777209.db2.gz RKDBPUTWICWVST-ZDUSSCGKSA-N 1 0 308.382 1.764 20 5 DDBDRO CC(C)[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000565887608 304101021 /nfs/dbraw/zinc/10/10/21/304101021.db2.gz XIUHBCHRUULSTM-NFAWXSAZSA-N 1 0 310.398 1.957 20 5 DDBDRO CCN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000612794537 361147314 /nfs/dbraw/zinc/14/73/14/361147314.db2.gz SNHJJEZADFKIHE-LLVKDONJSA-N 1 0 313.379 1.310 20 5 DDBDRO Cc1ccc(C)c(S(=O)(=O)N[C@@H]2CCC[NH2+]C2)c1[N+](=O)[O-] ZINC000193234255 201011329 /nfs/dbraw/zinc/01/13/29/201011329.db2.gz ZXIIYPIVUZYWFS-LLVKDONJSA-N 1 0 313.379 1.242 20 5 DDBDRO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000193558616 201075416 /nfs/dbraw/zinc/07/54/16/201075416.db2.gz WKGPLULPBKGMAC-GZMMTYOYSA-N 1 0 303.322 1.341 20 5 DDBDRO CCC[NH+]1CCC(CNC(=O)c2c([N+](=O)[O-])c(C)nn2C)CC1 ZINC000195390824 201386837 /nfs/dbraw/zinc/38/68/37/201386837.db2.gz BNZULKAMBGKNBS-UHFFFAOYSA-N 1 0 323.397 1.489 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000619873755 364170681 /nfs/dbraw/zinc/17/06/81/364170681.db2.gz UTESVQZCBCCKQB-CQSZACIVSA-N 1 0 318.377 1.023 20 5 DDBDRO COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000451585300 291330157 /nfs/dbraw/zinc/33/01/57/291330157.db2.gz AXSOIEDLCAGDFY-OLZOCXBDSA-N 1 0 323.349 1.078 20 5 DDBDRO CCC[C@H]1C[NH2+]CCN1C(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000359214672 299359302 /nfs/dbraw/zinc/35/93/02/299359302.db2.gz FCZBJYHOTPMTJF-LBPRGKRZSA-N 1 0 307.350 1.818 20 5 DDBDRO C[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1cn[nH]c1 ZINC000275146976 212149965 /nfs/dbraw/zinc/14/99/65/212149965.db2.gz FWMSQWSHANNJJM-GWCFXTLKSA-N 1 0 306.322 1.408 20 5 DDBDRO CC[C@@H](C)[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000007070646 181437332 /nfs/dbraw/zinc/43/73/32/181437332.db2.gz CADXYXPGJAUYLS-SNVBAGLBSA-N 1 0 301.368 1.261 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000261953575 203160993 /nfs/dbraw/zinc/16/09/93/203160993.db2.gz WUILXNAGXRZOER-CQSZACIVSA-N 1 0 318.377 1.023 20 5 DDBDRO C[C@H](C[NH3+])C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000262335724 203265658 /nfs/dbraw/zinc/26/56/58/203265658.db2.gz FCCMVWCOFDIEQO-LLVKDONJSA-N 1 0 307.350 1.559 20 5 DDBDRO COc1cc(C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000262487900 203307076 /nfs/dbraw/zinc/30/70/76/203307076.db2.gz KPQUQHJQWQUMRY-VXGBXAGGSA-N 1 0 305.334 1.427 20 5 DDBDRO O=C(CCNc1ccccc1[N+](=O)[O-])NCC[C@H]1CC[NH2+]C1 ZINC000262568780 203332895 /nfs/dbraw/zinc/33/28/95/203332895.db2.gz FUUBQPQSLDKNQY-GFCCVEGCSA-N 1 0 306.366 1.513 20 5 DDBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262660551 203369177 /nfs/dbraw/zinc/36/91/77/203369177.db2.gz YUNUGHUJUPZAQV-OLZOCXBDSA-N 1 0 318.377 1.750 20 5 DDBDRO CS[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C[C@H]1[NH+]1CCCC1 ZINC000274977251 212053783 /nfs/dbraw/zinc/05/37/83/212053783.db2.gz BEJLSWMTYBERAA-NEPJUHHUSA-N 1 0 324.406 1.575 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N1CC[NH+](C2CCC2)CC1 ZINC000264968729 204310102 /nfs/dbraw/zinc/31/01/02/204310102.db2.gz NJFZLHVBQKSYLK-UHFFFAOYSA-N 1 0 319.361 1.670 20 5 DDBDRO CC(C)[N@@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000351078319 284300667 /nfs/dbraw/zinc/30/06/67/284300667.db2.gz XVXDYZJXQFVSNM-UHFFFAOYSA-N 1 0 307.354 1.128 20 5 DDBDRO NC(=O)[C@@H](Cc1ccccc1)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000351343862 284320516 /nfs/dbraw/zinc/32/05/16/284320516.db2.gz UTZBGOWGJBUHSK-MRXNPFEDSA-N 1 0 313.357 1.824 20 5 DDBDRO [NH3+][C@@H]1CC[C@@H]2CN(Cc3nc4cc([N+](=O)[O-])ccc4o3)C[C@H]12 ZINC000351494571 284343274 /nfs/dbraw/zinc/34/32/74/284343274.db2.gz OHHWOTVIOMDMFD-ADEWGFFLSA-N 1 0 302.334 1.905 20 5 DDBDRO COc1ccc(CC(=O)NCCC[NH2+]C(C)C)cc1[N+](=O)[O-] ZINC000566618972 304171970 /nfs/dbraw/zinc/17/19/70/304171970.db2.gz QZAJRZWMHODCJH-UHFFFAOYSA-N 1 0 309.366 1.650 20 5 DDBDRO Cc1c(C(=O)NCC(C)(C)[NH3+])cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000160049972 197381773 /nfs/dbraw/zinc/38/17/73/197381773.db2.gz DZUNMDHNVPIHSX-UHFFFAOYSA-N 1 0 310.310 1.587 20 5 DDBDRO COCC[NH2+]CCNC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000415571952 307299222 /nfs/dbraw/zinc/29/92/22/307299222.db2.gz ATWWQXQAIFBHGZ-UHFFFAOYSA-N 1 0 310.354 1.569 20 5 DDBDRO C[NH+](C)C[C@@](C)(O)CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000152884198 248300240 /nfs/dbraw/zinc/30/02/40/248300240.db2.gz PCXCMRBCEKRBLI-ZDUSSCGKSA-N 1 0 315.757 1.291 20 5 DDBDRO C[C@H]1CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000270659807 248651391 /nfs/dbraw/zinc/65/13/91/248651391.db2.gz OPHCNSQWRNMGNQ-HZMBPMFUSA-N 1 0 306.366 1.076 20 5 DDBDRO CN(C(=O)C[N@H+](C)C[C@@H]1CCC[C@@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000159787185 197364430 /nfs/dbraw/zinc/36/44/30/197364430.db2.gz ROTUHNCMSRZPLI-WFASDCNBSA-N 1 0 321.377 1.650 20 5 DDBDRO C[C@@H]1C[NH+](CCCCNc2ncc([N+](=O)[O-])cn2)C[C@@H](C)O1 ZINC000273934812 211189240 /nfs/dbraw/zinc/18/92/40/211189240.db2.gz KZEMGUSHBRJFLQ-VXGBXAGGSA-N 1 0 309.370 1.686 20 5 DDBDRO C[C@@H](CNC(=O)NCCc1ccc([N+](=O)[O-])cc1)[N@H+](C)C1CC1 ZINC000105177119 194082179 /nfs/dbraw/zinc/08/21/79/194082179.db2.gz NTOVWQBMERYRCR-LBPRGKRZSA-N 1 0 320.393 1.919 20 5 DDBDRO CC(C)N1CC[C@@H]([NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1=O ZINC000285366208 218398889 /nfs/dbraw/zinc/39/88/89/218398889.db2.gz VTTOLTXSUIMPFT-ZWNOBZJWSA-N 1 0 306.366 1.837 20 5 DDBDRO C[C@H](CNC(=O)CNc1ccccc1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000057701519 184047583 /nfs/dbraw/zinc/04/75/83/184047583.db2.gz NOSLVJJPHBRRPD-LLVKDONJSA-N 1 0 306.366 1.606 20 5 DDBDRO C[C@@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[NH2+]C1 ZINC000269193562 207312177 /nfs/dbraw/zinc/31/21/77/207312177.db2.gz KYARYOXBDWDNIM-VXGBXAGGSA-N 1 0 307.350 1.478 20 5 DDBDRO COc1cc(C(=O)N[C@@](C)(C[NH3+])C2CC2)cc([N+](=O)[O-])c1OC ZINC000269233718 207359673 /nfs/dbraw/zinc/35/96/73/207359673.db2.gz WDEMIJVENZMLEL-HNNXBMFYSA-N 1 0 323.349 1.469 20 5 DDBDRO CN(C)C(C)(C)C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC001120480337 781973189 /nfs/dbraw/zinc/97/31/89/781973189.db2.gz QZVBEXZXKABSAU-CYBMUJFWSA-N 1 0 311.382 1.264 20 5 DDBDRO COc1cc(C[N@@H+]2CCCC[C@@H]2CC(N)=O)ccc1[N+](=O)[O-] ZINC000352407568 285030065 /nfs/dbraw/zinc/03/00/65/285030065.db2.gz VLFYHSXPEXHJNC-GFCCVEGCSA-N 1 0 307.350 1.833 20 5 DDBDRO COc1ccc(OCC[N@H+](CCO)CC2CC2)c([N+](=O)[O-])c1 ZINC000352467658 285072006 /nfs/dbraw/zinc/07/20/06/285072006.db2.gz MEOLYOIWBFEHPT-UHFFFAOYSA-N 1 0 310.350 1.687 20 5 DDBDRO COc1ccc(CC(=O)N[C@H]2C[NH2+]CC[C@H]2C)cc1[N+](=O)[O-] ZINC000567890966 304252510 /nfs/dbraw/zinc/25/25/10/304252510.db2.gz PNBSHTYLGMLYJE-PWSUYJOCSA-N 1 0 307.350 1.260 20 5 DDBDRO O=[N+]([O-])c1ccc(-c2noc(N3CC[C@@H]4C[NH2+]C[C@H]4C3)n2)cc1 ZINC000420260364 285106920 /nfs/dbraw/zinc/10/69/20/285106920.db2.gz NPLSVZPCOYWNMG-NEPJUHHUSA-N 1 0 315.333 1.691 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H](CO)C1CCCC1 ZINC000352621759 285180038 /nfs/dbraw/zinc/18/00/38/285180038.db2.gz UNYYGVHJPVAHDM-CYBMUJFWSA-N 1 0 321.377 1.982 20 5 DDBDRO C[NH+](C)C[C@](C)(O)CNc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000413196279 224152659 /nfs/dbraw/zinc/15/26/59/224152659.db2.gz DLKQBPIVSZUYMI-LLVKDONJSA-N 1 0 322.287 1.733 20 5 DDBDRO Cc1cc(NC[C@@]2(C)CCC(=O)N2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000413332821 224179029 /nfs/dbraw/zinc/17/90/29/224179029.db2.gz COSKIXUVAYRWFV-MRXNPFEDSA-N 1 0 314.345 1.954 20 5 DDBDRO COCCO[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000444750490 533200188 /nfs/dbraw/zinc/20/01/88/533200188.db2.gz DXXDWRKXOGSZBE-ZDUSSCGKSA-N 1 0 310.350 1.841 20 5 DDBDRO O=C(CNc1ccccc1[N+](=O)[O-])N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000289339041 220891323 /nfs/dbraw/zinc/89/13/23/220891323.db2.gz WSJJEAFUUGSOMW-INIZCTEOSA-N 1 0 318.377 1.609 20 5 DDBDRO COc1cc(C[NH2+]C2(C(N)=O)CCCCC2)ccc1[N+](=O)[O-] ZINC000352782437 285297655 /nfs/dbraw/zinc/29/76/55/285297655.db2.gz DOGUWROCNQESCZ-UHFFFAOYSA-N 1 0 307.350 1.881 20 5 DDBDRO Cc1n[nH]c(C(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000352820994 285320355 /nfs/dbraw/zinc/32/03/55/285320355.db2.gz RPDFTKVLHXIVLU-UWVGGRQHSA-N 1 0 309.370 1.477 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)NC[C@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000295242637 224605819 /nfs/dbraw/zinc/60/58/19/224605819.db2.gz DWSQDOLPTPGXKO-VIFPVBQESA-N 1 0 324.337 1.739 20 5 DDBDRO Cc1nn(C)c(C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000352869377 285348293 /nfs/dbraw/zinc/34/82/93/285348293.db2.gz WJXRSTUEQCBWKN-GHMZBOCLSA-N 1 0 323.397 1.629 20 5 DDBDRO CS(=O)(=O)CC1(C[NH2+]Cc2csc([N+](=O)[O-])c2)CCC1 ZINC000414549436 533330086 /nfs/dbraw/zinc/33/00/86/533330086.db2.gz AJULHEQSILNQJF-UHFFFAOYSA-N 1 0 318.420 1.961 20 5 DDBDRO COc1cc(C(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)cc([N+](=O)[O-])c1C ZINC000422843663 533524688 /nfs/dbraw/zinc/52/46/88/533524688.db2.gz JDOWVIMNBPWJBF-CABZTGNLSA-N 1 0 307.350 1.721 20 5 DDBDRO COc1cc(C(=O)N(C)C2(C[NH3+])CCC2)cc([N+](=O)[O-])c1C ZINC000423696366 533510144 /nfs/dbraw/zinc/51/01/44/533510144.db2.gz HVRREIRMLJLFRF-UHFFFAOYSA-N 1 0 307.350 1.865 20 5 DDBDRO COc1cc(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)ccc1[N+](=O)[O-] ZINC000299690377 533554376 /nfs/dbraw/zinc/55/43/76/533554376.db2.gz VWTLYVGPBKJMKC-STQMWFEESA-N 1 0 319.361 1.960 20 5 DDBDRO C[NH+](C)[C@H](CNC(=O)c1c[nH]nc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000568348040 304286584 /nfs/dbraw/zinc/28/65/84/304286584.db2.gz KGCCLERXUPLGGP-GFCCVEGCSA-N 1 0 321.312 1.490 20 5 DDBDRO CNc1ccc(C(=O)N2CCC[C@H]3C[NH2+]C[C@H]32)cc1[N+](=O)[O-] ZINC000568354573 304287336 /nfs/dbraw/zinc/28/73/36/304287336.db2.gz DTPUNJWHRUZJBK-SMDDNHRTSA-N 1 0 304.350 1.461 20 5 DDBDRO CCO[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000353128941 285541740 /nfs/dbraw/zinc/54/17/40/285541740.db2.gz LZJUUXQXAOOKLS-SWLSCSKDSA-N 1 0 310.350 1.887 20 5 DDBDRO Cc1cc(S(=O)(=O)N[C@H](C)[C@H](C)[NH3+])c(C)cc1[N+](=O)[O-] ZINC000568653801 304305178 /nfs/dbraw/zinc/30/51/78/304305178.db2.gz HVMVPKGCKBTAOF-VHSXEESVSA-N 1 0 301.368 1.226 20 5 DDBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@@H]1CNCCO1)C1CC1 ZINC000423578395 296514182 /nfs/dbraw/zinc/51/41/82/296514182.db2.gz UMOOUDSFUODQGW-GJZGRUSLSA-N 1 0 305.378 1.494 20 5 DDBDRO Cc1ccc([C@H](C)NC(=O)C[NH2+]C[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000237636794 292241726 /nfs/dbraw/zinc/24/17/26/292241726.db2.gz PYRVEXMZSZAJQT-GXTWGEPZSA-N 1 0 321.377 1.849 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@H](C[NH+](C)C)C2)c1 ZINC000266093128 292282353 /nfs/dbraw/zinc/28/23/53/292282353.db2.gz AMIFHUSIHXPCMD-GFCCVEGCSA-N 1 0 307.350 1.306 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)[C@@H]2CC[NH2+]C2)cc1C ZINC000071310236 406837160 /nfs/dbraw/zinc/83/71/60/406837160.db2.gz NILKIVYQXASKJV-LLVKDONJSA-N 1 0 313.379 1.194 20 5 DDBDRO CN(C(=O)COc1ccccc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000046468237 407061088 /nfs/dbraw/zinc/06/10/88/407061088.db2.gz RCNMCAYEYOSKRQ-UHFFFAOYSA-N 1 0 307.350 1.526 20 5 DDBDRO [NH3+]C[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000089108022 407122734 /nfs/dbraw/zinc/12/27/34/407122734.db2.gz WFFJGHNMYSICLI-GXFFZTMASA-N 1 0 313.379 1.391 20 5 DDBDRO C[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]C1 ZINC000050163257 407129142 /nfs/dbraw/zinc/12/91/42/407129142.db2.gz ULNYXLXHDOEMLE-WDEREUQCSA-N 1 0 313.379 1.261 20 5 DDBDRO O=C(CN1CCCC[C@H]1CO)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000123010328 407316521 /nfs/dbraw/zinc/31/65/21/407316521.db2.gz UOOCETHGANSAQR-AWEZNQCLSA-N 1 0 319.361 1.331 20 5 DDBDRO CN(CC1CC[NH+](C)CC1)C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000103450385 407339928 /nfs/dbraw/zinc/33/99/28/407339928.db2.gz MVVZJIHBZMEOEN-UHFFFAOYSA-N 1 0 320.393 1.807 20 5 DDBDRO COc1ccc(C[NH2+]C[C@@H]2CCCS2(=O)=O)cc1[N+](=O)[O-] ZINC000127028365 407426205 /nfs/dbraw/zinc/42/62/05/407426205.db2.gz VNRRMUZBGKDUKS-NSHDSACASA-N 1 0 314.363 1.270 20 5 DDBDRO COC[C@@H]1CC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000265807058 407465448 /nfs/dbraw/zinc/46/54/48/407465448.db2.gz PFCITIFFAKMQBN-GFCCVEGCSA-N 1 0 319.361 1.452 20 5 DDBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC([NH+](C)C)CC1 ZINC000127935165 407481012 /nfs/dbraw/zinc/48/10/12/407481012.db2.gz PFLUXFBEYBBLEN-GFCCVEGCSA-N 1 0 320.393 1.948 20 5 DDBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000178536153 407484201 /nfs/dbraw/zinc/48/42/01/407484201.db2.gz ZHPFZXJMWLESDR-MNOVXSKESA-N 1 0 309.391 1.883 20 5 DDBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000113437912 407501969 /nfs/dbraw/zinc/50/19/69/407501969.db2.gz DKYQLACFAIAUAI-NSHDSACASA-N 1 0 322.365 1.690 20 5 DDBDRO COC(=O)C(C)(C)C[NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000151835176 407507298 /nfs/dbraw/zinc/50/72/98/407507298.db2.gz RXWCCQKESHLJRU-JTQLQIEISA-N 1 0 323.349 1.711 20 5 DDBDRO Nc1ccc(C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000127753180 407460265 /nfs/dbraw/zinc/46/02/65/407460265.db2.gz SOZGYOBZLQJOFL-GFCCVEGCSA-N 1 0 318.377 1.735 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000152058517 407552026 /nfs/dbraw/zinc/55/20/26/407552026.db2.gz TULHUKBVCBXFQP-ZDUSSCGKSA-N 1 0 317.349 1.306 20 5 DDBDRO CCC[C@](C)([NH3+])C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000261674237 407575454 /nfs/dbraw/zinc/57/54/54/407575454.db2.gz HMSLGQHGRCRUNH-INIZCTEOSA-N 1 0 320.393 1.761 20 5 DDBDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000261675710 407575663 /nfs/dbraw/zinc/57/56/63/407575663.db2.gz BOAODVXVRBURFK-VXGBXAGGSA-N 1 0 306.366 1.227 20 5 DDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000151962275 407533926 /nfs/dbraw/zinc/53/39/26/407533926.db2.gz PZIKDKLHIZQRIB-LBPRGKRZSA-N 1 0 320.393 1.732 20 5 DDBDRO COCC[NH2+]CCNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000152289681 407602378 /nfs/dbraw/zinc/60/23/78/407602378.db2.gz HTXCZAYTPWYRDN-UHFFFAOYSA-N 1 0 322.365 1.135 20 5 DDBDRO Cn1c(C(=O)NCc2ccc3c(c2)C[NH2+]C3)ccc1[N+](=O)[O-] ZINC000261987412 407701905 /nfs/dbraw/zinc/70/19/05/407701905.db2.gz BAXSWKMVTUMBJN-UHFFFAOYSA-N 1 0 300.318 1.467 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000235430649 407720876 /nfs/dbraw/zinc/72/08/76/407720876.db2.gz CLBHXDWVDFWCBK-MNOVXSKESA-N 1 0 313.379 1.322 20 5 DDBDRO C[C@H]1C[C@H](NS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000235752270 407724462 /nfs/dbraw/zinc/72/44/62/407724462.db2.gz ULTDWAORVDWRPA-CMPLNLGQSA-N 1 0 313.379 1.155 20 5 DDBDRO Cc1cc(C(=O)NCC2(O)CC[NH+](C)CC2)cc([N+](=O)[O-])c1 ZINC000267088326 407743635 /nfs/dbraw/zinc/74/36/35/407743635.db2.gz KBAZZMZHPRDPGL-UHFFFAOYSA-N 1 0 307.350 1.090 20 5 DDBDRO CC(C)([NH3+])CC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000236833005 407776180 /nfs/dbraw/zinc/77/61/80/407776180.db2.gz VIZZDRMUYRZWJK-UHFFFAOYSA-N 1 0 306.366 1.371 20 5 DDBDRO C[NH2+]C[C@H](C)CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000237187269 407805017 /nfs/dbraw/zinc/80/50/17/407805017.db2.gz ZDANOOIJPIJISI-JTQLQIEISA-N 1 0 306.366 1.754 20 5 DDBDRO C[NH2+]C[C@H]1CCCN(C(=O)CCn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000237291150 407810018 /nfs/dbraw/zinc/81/00/18/407810018.db2.gz GHIZKHKHORGFBF-CYBMUJFWSA-N 1 0 323.397 1.256 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC[NH+]1CCCC1 ZINC000172305208 407817930 /nfs/dbraw/zinc/81/79/30/407817930.db2.gz CCDSSGRDNFGQOV-UHFFFAOYSA-N 1 0 320.349 1.054 20 5 DDBDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000272232699 407827789 /nfs/dbraw/zinc/82/77/89/407827789.db2.gz JYJXBDIBTAVRIM-RYUDHWBXSA-N 1 0 306.366 1.593 20 5 DDBDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000272240156 407830137 /nfs/dbraw/zinc/83/01/37/407830137.db2.gz KUFUQUUDNDDNBH-UWVGGRQHSA-N 1 0 321.333 1.175 20 5 DDBDRO CC[NH2+][C@H](C)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000262424753 407831832 /nfs/dbraw/zinc/83/18/32/407831832.db2.gz CHRGHMCYXOWBQN-MRVPVSSYSA-N 1 0 321.786 1.525 20 5 DDBDRO CC[NH2+][C@H](C)CNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000262454635 407839205 /nfs/dbraw/zinc/83/92/05/407839205.db2.gz KSOILKSLQWXUEY-SECBINFHSA-N 1 0 318.333 1.576 20 5 DDBDRO C[C@@H](C[NH3+])NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000262517372 407856227 /nfs/dbraw/zinc/85/62/27/407856227.db2.gz GYSALXLYZJQOIY-LBPRGKRZSA-N 1 0 320.393 1.908 20 5 DDBDRO C[NH2+][C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000133446883 407844282 /nfs/dbraw/zinc/84/42/82/407844282.db2.gz UZPNCXYVHJHGPY-JTQLQIEISA-N 1 0 308.294 1.327 20 5 DDBDRO COc1cc(OCC(=O)N[C@H]2CC[NH2+]C[C@H]2C)ccc1[N+](=O)[O-] ZINC000262920802 407969165 /nfs/dbraw/zinc/96/91/65/407969165.db2.gz ZHQPLIUYPOLVMH-PWSUYJOCSA-N 1 0 323.349 1.096 20 5 DDBDRO Cc1ccc(S(=O)(=O)N[C@H]2CC[NH2+]C[C@@H]2C)cc1[N+](=O)[O-] ZINC000262810739 407941876 /nfs/dbraw/zinc/94/18/76/407941876.db2.gz XZXNRAVCPKCHQE-JQWIXIFHSA-N 1 0 313.379 1.180 20 5 DDBDRO C[NH+]1CCC(C)(CNC(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000273023875 408024107 /nfs/dbraw/zinc/02/41/07/408024107.db2.gz RSCBNIITAODHJO-UHFFFAOYSA-N 1 0 320.393 1.855 20 5 DDBDRO O=C(NC[C@@H]1CC[NH2+]C1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000273088855 408051952 /nfs/dbraw/zinc/05/19/52/408051952.db2.gz ZLCARNSMHHJTQK-MRVPVSSYSA-N 1 0 317.267 1.953 20 5 DDBDRO CC1CC[NH+](CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 ZINC000154187890 407991117 /nfs/dbraw/zinc/99/11/17/407991117.db2.gz PLTSQBOYSURVJY-UHFFFAOYSA-N 1 0 317.345 1.923 20 5 DDBDRO Cc1cc(N2CCO[C@H](C(N)=O)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000272812970 408011660 /nfs/dbraw/zinc/01/16/60/408011660.db2.gz HJRFLCRSEUPGGI-AWEZNQCLSA-N 1 0 316.317 1.142 20 5 DDBDRO NC(=O)C[C@H]1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000175211396 408079924 /nfs/dbraw/zinc/07/99/24/408079924.db2.gz GQXKKMVTSFDMAP-GFCCVEGCSA-N 1 0 307.350 1.561 20 5 DDBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2[nH]ncc2[N+](=O)[O-])C1 ZINC000136222783 408090322 /nfs/dbraw/zinc/09/03/22/408090322.db2.gz RPCMQAWIZYEADS-PHIMTYICSA-N 1 0 309.370 1.416 20 5 DDBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2[nH]nc(CC)c2[N+](=O)[O-])C1 ZINC000175329037 408107448 /nfs/dbraw/zinc/10/74/48/408107448.db2.gz VJLSKAAYZKPQLT-LLVKDONJSA-N 1 0 323.397 1.684 20 5 DDBDRO CC[NH+](CC)[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C1 ZINC000175405321 408122449 /nfs/dbraw/zinc/12/24/49/408122449.db2.gz IMRKSYQPWOCJTB-JTQLQIEISA-N 1 0 308.338 1.252 20 5 DDBDRO C[C@@H]1CN(C(C)(C)CNc2c([N+](=O)[O-])ncn2C)C[C@H](C)O1 ZINC000140404081 408175238 /nfs/dbraw/zinc/17/52/38/408175238.db2.gz XYBBPFQOUZZIHP-PHIMTYICSA-N 1 0 311.386 1.628 20 5 DDBDRO COc1ccc(C[N@H+](C)C[C@H]2CCN(C(C)=O)C2)cc1[N+](=O)[O-] ZINC000156510150 408258459 /nfs/dbraw/zinc/25/84/59/408258459.db2.gz GMCWEYNDONKYFD-CQSZACIVSA-N 1 0 321.377 1.904 20 5 DDBDRO Nc1c(C(=O)NCCCC[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000176006098 408261792 /nfs/dbraw/zinc/26/17/92/408261792.db2.gz XPDRHDIMRCVXQW-UHFFFAOYSA-N 1 0 322.365 1.019 20 5 DDBDRO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])s1)N1CC[NH+](C)CC1 ZINC000263748284 408237005 /nfs/dbraw/zinc/23/70/05/408237005.db2.gz JLWLJYMJYCKCAB-SNVBAGLBSA-N 1 0 312.395 1.022 20 5 DDBDRO O=C(Cn1ccc([N+](=O)[O-])n1)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000173257767 162328522 /nfs/dbraw/zinc/32/85/22/162328522.db2.gz PFAHMBUJTMJUCI-CYBMUJFWSA-N 1 0 321.381 1.172 20 5 DDBDRO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000247329408 408450994 /nfs/dbraw/zinc/45/09/94/408450994.db2.gz MXHDUIRISZNAAB-SWLSCSKDSA-N 1 0 305.378 1.982 20 5 DDBDRO COC(=O)[C@@H](O)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000183393233 408397786 /nfs/dbraw/zinc/39/77/86/408397786.db2.gz XDZBPPHIRZYYGO-HNNXBMFYSA-N 1 0 322.361 1.649 20 5 DDBDRO CC[N@H+](CCO)CCNC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000191327582 408406171 /nfs/dbraw/zinc/40/61/71/408406171.db2.gz SJYXJULDOLORTP-UHFFFAOYSA-N 1 0 324.381 1.647 20 5 DDBDRO C[C@H](CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[NH+](C)C ZINC000270201215 408485248 /nfs/dbraw/zinc/48/52/48/408485248.db2.gz CEZUKGLXFANBBT-SNVBAGLBSA-N 1 0 304.350 1.685 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)n1 ZINC000191789285 408492563 /nfs/dbraw/zinc/49/25/63/408492563.db2.gz NABKWVDFGJGSJG-LBPRGKRZSA-N 1 0 323.397 1.661 20 5 DDBDRO C[NH2+][C@H]1CCN(C(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)C1 ZINC000160554494 408493954 /nfs/dbraw/zinc/49/39/54/408493954.db2.gz QOMPIPUBVWBILL-QWRGUYRKSA-N 1 0 309.391 1.896 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)C[NH+]2CCCCCC2)n1 ZINC000191895740 408505936 /nfs/dbraw/zinc/50/59/36/408505936.db2.gz SSARZEDZIMJKDL-LBPRGKRZSA-N 1 0 323.397 1.806 20 5 DDBDRO CCc1n[nH]c(C(=O)NC2CC[NH+](C(C)C)CC2)c1[N+](=O)[O-] ZINC000264561086 408537133 /nfs/dbraw/zinc/53/71/33/408537133.db2.gz OPHKQEQOEHMTFK-UHFFFAOYSA-N 1 0 309.370 1.483 20 5 DDBDRO COCC[N@H+](C)CCCNC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000161486353 408608345 /nfs/dbraw/zinc/60/83/45/408608345.db2.gz OILRHRPULQUPLX-UHFFFAOYSA-N 1 0 323.393 1.530 20 5 DDBDRO C[C@H](O)C[N@@H+]1CCN(CCOc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000249262085 408707323 /nfs/dbraw/zinc/70/73/23/408707323.db2.gz HFDYUOJMAWLYAP-KBPBESRZSA-N 1 0 323.393 1.361 20 5 DDBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)[C@H]1CCN(C)C1=O ZINC000265625092 408716774 /nfs/dbraw/zinc/71/67/74/408716774.db2.gz CRTKXHGKODBHIE-GWCFXTLKSA-N 1 0 320.349 1.084 20 5 DDBDRO C[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000162632741 408721431 /nfs/dbraw/zinc/72/14/31/408721431.db2.gz ABDTVZOOSJDCNS-OBJOEFQTSA-N 1 0 310.350 1.349 20 5 DDBDRO CC(=O)N1CCCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000193648159 408734602 /nfs/dbraw/zinc/73/46/02/408734602.db2.gz TUIUIEUTZLTJRP-UHFFFAOYSA-N 1 0 322.321 1.557 20 5 DDBDRO COc1ccc(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1[N+](=O)[O-] ZINC000185026663 408739430 /nfs/dbraw/zinc/73/94/30/408739430.db2.gz HQHBULNYJIEYDB-QJPTWQEYSA-N 1 0 305.334 1.413 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000162188185 408677332 /nfs/dbraw/zinc/67/73/32/408677332.db2.gz XPSONIUHPPLVKG-ZDUSSCGKSA-N 1 0 323.397 1.194 20 5 DDBDRO CCCC[NH+]1CCC(NC(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC000270779322 408679582 /nfs/dbraw/zinc/67/95/82/408679582.db2.gz JMXYLJNGLFXRQO-UHFFFAOYSA-N 1 0 309.370 1.323 20 5 DDBDRO C[NH+](C)C1(CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CCC1 ZINC000275865973 408701473 /nfs/dbraw/zinc/70/14/73/408701473.db2.gz PLBFCIAGEFFTEK-UHFFFAOYSA-N 1 0 320.349 1.134 20 5 DDBDRO CS[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N)C[C@H]1[NH+](C)C ZINC000276421891 408855252 /nfs/dbraw/zinc/85/52/52/408855252.db2.gz XLIJFGYGNFCMGS-OLZOCXBDSA-N 1 0 324.406 1.295 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000277683316 408992448 /nfs/dbraw/zinc/99/24/48/408992448.db2.gz YVQYFMWGTAKHRO-LLVKDONJSA-N 1 0 319.361 1.984 20 5 DDBDRO CCOCC(C)(C)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000293240626 409074251 /nfs/dbraw/zinc/07/42/51/409074251.db2.gz LGRGHXKOTHCZRU-GFCCVEGCSA-N 1 0 312.366 1.739 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H](O)CC2)c1 ZINC000293288055 409082939 /nfs/dbraw/zinc/08/29/39/409082939.db2.gz VURYUIXGWSLYMN-KGLIPLIRSA-N 1 0 310.350 1.181 20 5 DDBDRO C[C@@H]([NH2+]CCCc1cnn(C)n1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293588542 409143142 /nfs/dbraw/zinc/14/31/42/409143142.db2.gz CNCHBCDUDCKYNH-SNVBAGLBSA-N 1 0 304.354 1.589 20 5 DDBDRO C[C@H](CN1CCCC1=O)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283956060 409247207 /nfs/dbraw/zinc/24/72/07/409247207.db2.gz FZQABULFEJUJLI-MNOVXSKESA-N 1 0 306.366 1.839 20 5 DDBDRO CN1CC[C@@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)[C@H]1c1ccccc1 ZINC000289367130 409256405 /nfs/dbraw/zinc/25/64/05/409256405.db2.gz JONPTHJYQBQGFJ-HZPDHXFCSA-N 1 0 315.377 1.826 20 5 DDBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000284012562 409257827 /nfs/dbraw/zinc/25/78/27/409257827.db2.gz OEMLNHWEDWJTPU-SNVBAGLBSA-N 1 0 324.356 1.920 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)NC[C@@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000295242636 409394005 /nfs/dbraw/zinc/39/40/05/409394005.db2.gz DWSQDOLPTPGXKO-SECBINFHSA-N 1 0 324.337 1.739 20 5 DDBDRO CNC(=O)[C@@]1(C)CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000280518730 409337804 /nfs/dbraw/zinc/33/78/04/409337804.db2.gz CEZIJUVUBXTCQB-HNNXBMFYSA-N 1 0 307.350 1.561 20 5 DDBDRO C[N@@H+]1CC[C@H]2OCCN(C(=O)c3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000285380478 409419840 /nfs/dbraw/zinc/41/98/40/409419840.db2.gz WLXVHSFMWGBZFQ-ZIAGYGMSSA-N 1 0 305.334 1.140 20 5 DDBDRO CC[C@H]([NH3+])CNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000295331460 409438152 /nfs/dbraw/zinc/43/81/52/409438152.db2.gz XOAHTJUMBRNSHF-QMMMGPOBSA-N 1 0 316.155 1.824 20 5 DDBDRO COc1cc(NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)ccc1[N+](=O)[O-] ZINC000317768836 164029187 /nfs/dbraw/zinc/02/91/87/164029187.db2.gz QKAMYUGUZPNYOR-OLZOCXBDSA-N 1 0 307.350 1.879 20 5 DDBDRO Nc1ncc([N+](=O)[O-])cc1C(=O)NCCC[NH+]1CCCCC1 ZINC000186757269 306718232 /nfs/dbraw/zinc/71/82/32/306718232.db2.gz BXXQUXNSYUDJCF-UHFFFAOYSA-N 1 0 307.354 1.178 20 5 DDBDRO CCn1cc([C@H](C)[NH2+]CCn2cc([N+](=O)[O-])ccc2=O)cn1 ZINC000296235059 409473883 /nfs/dbraw/zinc/47/38/83/409473883.db2.gz WTRWRUMTTJLQEL-NSHDSACASA-N 1 0 305.338 1.324 20 5 DDBDRO COc1cccc(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000331560306 409638171 /nfs/dbraw/zinc/63/81/71/409638171.db2.gz SXGOMCPNRJYPJA-SNVBAGLBSA-N 1 0 305.334 1.570 20 5 DDBDRO Cc1ccc(S(=O)(=O)NC[C@@H]2CCCN2C)c([N+](=O)[O-])c1 ZINC000342351353 409586099 /nfs/dbraw/zinc/58/60/99/409586099.db2.gz WSQKKNIVLYZBIC-NSHDSACASA-N 1 0 313.379 1.276 20 5 DDBDRO CCn1cnnc1C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000331516101 409592069 /nfs/dbraw/zinc/59/20/69/409592069.db2.gz COKCQNQPVYIVGN-RYUDHWBXSA-N 1 0 319.369 1.676 20 5 DDBDRO CC[N@@H+](Cc1cccc(F)c1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000304302907 409596700 /nfs/dbraw/zinc/59/67/00/409596700.db2.gz IQZOGWMHRGYCBU-HNNXBMFYSA-N 1 0 322.340 1.813 20 5 DDBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000345075454 409616067 /nfs/dbraw/zinc/61/60/67/409616067.db2.gz ODSZVTPOHWWGEL-AWEZNQCLSA-N 1 0 320.393 1.873 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[N@@H+](C)[C@@H](C)[C@@H]1C ZINC000356897306 409702536 /nfs/dbraw/zinc/70/25/36/409702536.db2.gz ZNHDCVPMNGTDII-QWRGUYRKSA-N 1 0 309.370 1.041 20 5 DDBDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000356903496 409707551 /nfs/dbraw/zinc/70/75/51/409707551.db2.gz PRLJFEMSRQTCBL-NWDGAFQWSA-N 1 0 306.366 1.558 20 5 DDBDRO COc1c(C(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000331591917 409671484 /nfs/dbraw/zinc/67/14/84/409671484.db2.gz XZBUEQYHXSLZJN-MNOVXSKESA-N 1 0 319.361 1.958 20 5 DDBDRO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000313364022 409807631 /nfs/dbraw/zinc/80/76/31/409807631.db2.gz UZOILTFKJLFCSH-CYBMUJFWSA-N 1 0 300.318 1.710 20 5 DDBDRO CC1=CC[N@H+](CCNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000349990939 409921272 /nfs/dbraw/zinc/92/12/72/409921272.db2.gz NCXCQZLPPJDZJJ-UHFFFAOYSA-N 1 0 306.322 1.077 20 5 DDBDRO [NH3+]CC1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 ZINC000297218302 409856961 /nfs/dbraw/zinc/85/69/61/409856961.db2.gz NWJNAMLLYOIEJZ-UHFFFAOYSA-N 1 0 302.334 1.887 20 5 DDBDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)c2c([N+](=O)[O-])cnn2C)C[C@@H](C)C1 ZINC000346244110 409870638 /nfs/dbraw/zinc/87/06/38/409870638.db2.gz UNJPEFOYRLLDEA-SRVKXCTJSA-N 1 0 321.381 1.131 20 5 DDBDRO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CCN1C(=O)CCC1=O ZINC000338361655 409936789 /nfs/dbraw/zinc/93/67/89/409936789.db2.gz RMXGAWWEVGIJFU-UHFFFAOYSA-N 1 0 305.334 1.218 20 5 DDBDRO Cc1nn(CCC(=O)NCC[N@@H+](C)C(C)C)c(C)c1[N+](=O)[O-] ZINC000338814388 410040025 /nfs/dbraw/zinc/04/00/25/410040025.db2.gz HGRFLSNNPGCJIT-UHFFFAOYSA-N 1 0 311.386 1.255 20 5 DDBDRO C[NH+](C)C[C@](C)(O)CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC000342913555 409994931 /nfs/dbraw/zinc/99/49/31/409994931.db2.gz UWHOGPOUOJVKNC-OAHLLOKOSA-N 1 0 320.349 1.119 20 5 DDBDRO CC[N@H+](C)CCNS(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000354739924 410052213 /nfs/dbraw/zinc/05/22/13/410052213.db2.gz NZAIOIAXUQLTBQ-UHFFFAOYSA-N 1 0 301.368 1.133 20 5 DDBDRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000342986099 410053060 /nfs/dbraw/zinc/05/30/60/410053060.db2.gz AMDUWSZGLVGNDO-KWQFWETISA-N 1 0 303.322 1.607 20 5 DDBDRO COc1c(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000354811978 410105644 /nfs/dbraw/zinc/10/56/44/410105644.db2.gz WVKSWVIVJNJVSM-LLVKDONJSA-N 1 0 319.361 1.818 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H](C)Cn1cccn1 ZINC000354924526 410176591 /nfs/dbraw/zinc/17/65/91/410176591.db2.gz WCNVMNGKISHYNL-LBPRGKRZSA-N 1 0 317.349 1.717 20 5 DDBDRO O=C(Cc1ccccc1[N+](=O)[O-])NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000298471474 410245227 /nfs/dbraw/zinc/24/52/27/410245227.db2.gz QOAJQMFIRLYHBB-GFCCVEGCSA-N 1 0 303.362 1.738 20 5 DDBDRO C[C@H]1C[NH+](CCCNC(=O)c2ccc([N+](=O)[O-])[nH]2)C[C@H](C)O1 ZINC000298842990 410420393 /nfs/dbraw/zinc/42/03/93/410420393.db2.gz IMKLYGUKAZJWAE-QWRGUYRKSA-N 1 0 310.354 1.152 20 5 DDBDRO C[C@@H]1CCC[N@H+](CCNC(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000298732262 410372945 /nfs/dbraw/zinc/37/29/45/410372945.db2.gz JRWRWOWOXPAROU-CYBMUJFWSA-N 1 0 321.377 1.822 20 5 DDBDRO COC[C@H]1CC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000352235567 410569554 /nfs/dbraw/zinc/56/95/54/410569554.db2.gz XCLXGDKRLJPDCR-LBPRGKRZSA-N 1 0 319.361 1.452 20 5 DDBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000343612961 410571429 /nfs/dbraw/zinc/57/14/29/410571429.db2.gz QCVLGYBJAQXARA-AWEZNQCLSA-N 1 0 321.377 1.964 20 5 DDBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1c1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000343621195 410576741 /nfs/dbraw/zinc/57/67/41/410576741.db2.gz HGEVEXOJJMCNAL-VXGBXAGGSA-N 1 0 318.377 1.757 20 5 DDBDRO C[C@@H]1[C@@H](NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CCC[N@@H+]1C ZINC000343583802 410551425 /nfs/dbraw/zinc/55/14/25/410551425.db2.gz ZKEAPTRZIIRKNT-KOLCDFICSA-N 1 0 321.333 1.536 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccnn1CC[NH+](C)C ZINC000359499861 410693053 /nfs/dbraw/zinc/69/30/53/410693053.db2.gz FROOMWMUMICFJN-UHFFFAOYSA-N 1 0 318.337 1.309 20 5 DDBDRO CC[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000352951125 410695486 /nfs/dbraw/zinc/69/54/86/410695486.db2.gz ZTXZXUZMOVLIDN-LSDHHAIUSA-N 1 0 303.362 1.868 20 5 DDBDRO C[N@@H+]1CCO[C@H]2CN(c3ccc([N+](=O)[O-])c4cnccc43)C[C@H]21 ZINC000301682872 410771078 /nfs/dbraw/zinc/77/10/78/410771078.db2.gz VUKRLOGMFPPUQF-CVEARBPZSA-N 1 0 314.345 1.662 20 5 DDBDRO Cc1cc(N2CCC[C@H]2C[N@@H+]2CCC[C@H]2CO)ncc1[N+](=O)[O-] ZINC000301591950 410750022 /nfs/dbraw/zinc/75/00/22/410750022.db2.gz YMBUURHMBHKJCR-KBPBESRZSA-N 1 0 320.393 1.724 20 5 DDBDRO COC(=O)[C@@H]1CCCC[C@@]1(C)[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000330663985 410858499 /nfs/dbraw/zinc/85/84/99/410858499.db2.gz FPKRQKBJCQYOQA-IINYFYTJSA-N 1 0 310.354 1.540 20 5 DDBDRO Cc1c([C@@H](C)[NH2+]C[C@H]2CN(C)CCN2C)cccc1[N+](=O)[O-] ZINC000330673532 410865370 /nfs/dbraw/zinc/86/53/70/410865370.db2.gz HKGPOMFCILMVPH-KGLIPLIRSA-N 1 0 306.410 1.800 20 5 DDBDRO C[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000348259916 410879208 /nfs/dbraw/zinc/87/92/08/410879208.db2.gz HHYAUBJAQMXMER-IHRRRGAJSA-N 1 0 324.377 1.739 20 5 DDBDRO CC(C)(C)NC(=O)C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000331017163 410910714 /nfs/dbraw/zinc/91/07/14/410910714.db2.gz PUHVYBUSKTZPPN-NEPJUHHUSA-N 1 0 323.397 1.779 20 5 DDBDRO CN([C@@H](C[NH3+])C1CC1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000360003354 410995545 /nfs/dbraw/zinc/99/55/45/410995545.db2.gz CSAVNUAKUNCGLX-QMMMGPOBSA-N 1 0 305.381 1.014 20 5 DDBDRO O=C([C@@H]1C[C@@H]1[N+](=O)[O-])N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000360221016 411104995 /nfs/dbraw/zinc/10/49/95/411104995.db2.gz CKHJPGCUOBCYFM-ZNMIVQPWSA-N 1 0 309.410 1.766 20 5 DDBDRO COc1ccc(C[N@@H+]2CCC[C@@]3(CNC(=O)C3)C2)cc1[N+](=O)[O-] ZINC000353767458 411126524 /nfs/dbraw/zinc/12/65/24/411126524.db2.gz LELKIQVKNHZOLV-MRXNPFEDSA-N 1 0 319.361 1.706 20 5 DDBDRO CCC[C@@H]([NH2+]CCN1C(=O)CNC1=O)c1cccc([N+](=O)[O-])c1 ZINC000134125302 196363906 /nfs/dbraw/zinc/36/39/06/196363906.db2.gz LAROEOZTELXOII-CYBMUJFWSA-N 1 0 320.349 1.577 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000417168910 225230840 /nfs/dbraw/zinc/23/08/40/225230840.db2.gz BCSOQPKIBSWVRF-GHMZBOCLSA-N 1 0 322.365 1.482 20 5 DDBDRO Cc1cc(N[C@H](C)[C@H](C)[NH3+])nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000420273470 226451031 /nfs/dbraw/zinc/45/10/31/226451031.db2.gz XMXFSAUERMZGAD-WDEREUQCSA-N 1 0 301.350 1.930 20 5 DDBDRO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000366191582 418440940 /nfs/dbraw/zinc/44/09/40/418440940.db2.gz GKHUVGZOOPQDQS-HNNXBMFYSA-N 1 0 319.361 1.578 20 5 DDBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000366332975 418459795 /nfs/dbraw/zinc/45/97/95/418459795.db2.gz PNBADEOIFUWTCF-YUSALJHKSA-N 1 0 303.318 1.250 20 5 DDBDRO C[C@H]1CCC[N@@H+]1C1CCN(Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000366620231 418498241 /nfs/dbraw/zinc/49/82/41/418498241.db2.gz NXVAFYGHGHVXFW-LBPRGKRZSA-N 1 0 307.398 1.777 20 5 DDBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])cn2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000374312944 418516523 /nfs/dbraw/zinc/51/65/23/418516523.db2.gz SRBAGOSZCAVVAB-HIFRSBDPSA-N 1 0 319.409 1.452 20 5 DDBDRO Cc1ccc(NC(=O)[C@@H]2CN(C(C)C)CCO2)cc1[N+](=O)[O-] ZINC000366817197 418520950 /nfs/dbraw/zinc/52/09/50/418520950.db2.gz CYVGEWMXLOXPHF-AWEZNQCLSA-N 1 0 307.350 1.951 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2[C@@H]3CC[C@H]2C[N@H+](CC)CC3)n1 ZINC000191660144 222106507 /nfs/dbraw/zinc/10/65/07/222106507.db2.gz DUFBMNVEBIHXIF-NEPJUHHUSA-N 1 0 321.381 1.510 20 5 DDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CC[NH+](C2CCOCC2)CC1 ZINC000192645480 222130923 /nfs/dbraw/zinc/13/09/23/222130923.db2.gz VQZXSEDEWFICNB-UHFFFAOYSA-N 1 0 323.397 1.421 20 5 DDBDRO C[C@@H]1[NH2+]CCC[C@H]1NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000193463719 222155947 /nfs/dbraw/zinc/15/59/47/222155947.db2.gz ZDKDLZPURCDILY-GXFFZTMASA-N 1 0 313.379 1.155 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2CC[N@H+](C)[C@H]2C1 ZINC000375053877 418596214 /nfs/dbraw/zinc/59/62/14/418596214.db2.gz IJANSJJBAVLURK-FZMZJTMJSA-N 1 0 319.361 1.770 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CCN(CC(=O)Nc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000375031284 418591827 /nfs/dbraw/zinc/59/18/27/418591827.db2.gz NPCGQTGCLAWNHP-IUODEOHRSA-N 1 0 318.377 1.559 20 5 DDBDRO C[C@@H]1[C@H](N2CCOCC2)CC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000368064512 418683485 /nfs/dbraw/zinc/68/34/85/418683485.db2.gz PVXJAUFCIIMOMB-CZUORRHYSA-N 1 0 305.378 1.890 20 5 DDBDRO CNc1c(C(=O)NC[C@H]2CCC[N@H+](C)C2)cccc1[N+](=O)[O-] ZINC000388640047 418747088 /nfs/dbraw/zinc/74/70/88/418747088.db2.gz MTCGQDRNOWURPR-LLVKDONJSA-N 1 0 306.366 1.708 20 5 DDBDRO C[C@H](CO)[N@@H+]1CCCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000364933211 418824691 /nfs/dbraw/zinc/82/46/91/418824691.db2.gz LOBNYOKQEAERMX-GFCCVEGCSA-N 1 0 307.350 1.124 20 5 DDBDRO O=C1NC[C@@H]2C[N@H+](C/C=C/c3ccccc3[N+](=O)[O-])CC[C@H]12 ZINC000365655245 418890174 /nfs/dbraw/zinc/89/01/74/418890174.db2.gz IHTQXHIZRLQKBK-JRFBKZHLSA-N 1 0 301.346 1.676 20 5 DDBDRO Nc1ccc(C(=O)N2CC[C@]3(CCC[C@@H]3[NH3+])C2)cc1[N+](=O)[O-] ZINC000372777294 418900895 /nfs/dbraw/zinc/90/08/95/418900895.db2.gz UNCLBLGMNPFRSY-DZGCQCFKSA-N 1 0 304.350 1.521 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCC(=O)N(C)C1=O ZINC000424311800 228256944 /nfs/dbraw/zinc/25/69/44/228256944.db2.gz FTKWPPZEHRPAPT-PWSUYJOCSA-N 1 0 305.334 1.263 20 5 DDBDRO CC(C)[C@@](C)(CO)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000411744288 419395761 /nfs/dbraw/zinc/39/57/61/419395761.db2.gz GQNKSXCRQALYLH-OAHLLOKOSA-N 1 0 309.366 1.920 20 5 DDBDRO C[C@@H]1CN(C(=O)NCCc2cccc([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000417950589 419416945 /nfs/dbraw/zinc/41/69/45/419416945.db2.gz WKLUUHDIGIZTQV-RISCZKNCSA-N 1 0 306.366 1.516 20 5 DDBDRO COC(=O)[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2)CC[N@H+](C)C1 ZINC000411906159 419464946 /nfs/dbraw/zinc/46/49/46/419464946.db2.gz NMPRTDKMENSEHL-ZDUSSCGKSA-N 1 0 307.350 1.131 20 5 DDBDRO COC(=O)[C@@H]1CN([C@@H](C)c2cccc([N+](=O)[O-])c2)CC[N@H+](C)C1 ZINC000411910615 419473951 /nfs/dbraw/zinc/47/39/51/419473951.db2.gz SLBXIWUVPZYWHL-JSGCOSHPSA-N 1 0 321.377 1.692 20 5 DDBDRO Cc1c(CNC(=O)N(C2CC2)[C@H]2CC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000418055839 419499820 /nfs/dbraw/zinc/49/98/20/419499820.db2.gz BXUSTSKVLJQQGH-AWEZNQCLSA-N 1 0 318.377 1.939 20 5 DDBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000421707887 419692533 /nfs/dbraw/zinc/69/25/33/419692533.db2.gz YOQZIVPRJXSWGK-LBPRGKRZSA-N 1 0 307.350 1.526 20 5 DDBDRO COC(=O)[C@H]1CSCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000412088469 419644590 /nfs/dbraw/zinc/64/45/90/419644590.db2.gz WSENGSQXTKWRBH-GFCCVEGCSA-N 1 0 310.375 1.933 20 5 DDBDRO CON1CCC([NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000421866513 419750904 /nfs/dbraw/zinc/75/09/04/419750904.db2.gz AMWAAEDOSUMTDZ-KBPBESRZSA-N 1 0 323.397 1.890 20 5 DDBDRO O=C(N[C@H]1CCC[NH2+]C1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000418386081 419764552 /nfs/dbraw/zinc/76/45/52/419764552.db2.gz RCUJTGFJGWBIPL-NSHDSACASA-N 1 0 320.349 1.119 20 5 DDBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC1([NH3+])CCC1 ZINC000414883995 419859277 /nfs/dbraw/zinc/85/92/77/419859277.db2.gz VKCCEXGZRCBIPG-LLVKDONJSA-N 1 0 306.366 1.783 20 5 DDBDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(CCn2cc([N+](=O)[O-])cn2)C[C@@H](C)C1 ZINC000428988698 419959095 /nfs/dbraw/zinc/95/90/95/419959095.db2.gz ARZCVJZOSYXDDJ-IPYPFGDCSA-N 1 0 307.398 1.453 20 5 DDBDRO C[N@@H+]1CC[C@@]2(CCN(Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)C1 ZINC000429021287 419964021 /nfs/dbraw/zinc/96/40/21/419964021.db2.gz PSNWQGQYJUZGEN-MRXNPFEDSA-N 1 0 315.377 1.999 20 5 DDBDRO CCC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)CC(N)=O ZINC000429167330 419981046 /nfs/dbraw/zinc/98/10/46/419981046.db2.gz LAOWFCNKUDSJEJ-UHFFFAOYSA-N 1 0 322.365 1.429 20 5 DDBDRO COC[C@]1(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CC[NH2+]C1 ZINC000423188718 419984690 /nfs/dbraw/zinc/98/46/90/419984690.db2.gz QDWNMYKBBJSDNN-INIZCTEOSA-N 1 0 319.361 1.106 20 5 DDBDRO CC[NH2+][C@H](C)CN[C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000423380008 420032697 /nfs/dbraw/zinc/03/26/97/420032697.db2.gz MMFQQOGRXHOXDI-VXGBXAGGSA-N 1 0 308.382 1.900 20 5 DDBDRO COC(=O)[C@@](C)(O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000429695774 420038476 /nfs/dbraw/zinc/03/84/76/420038476.db2.gz IGIJXLLQGVAEKF-HNNXBMFYSA-N 1 0 308.334 1.483 20 5 DDBDRO C[NH2+]CCCNC(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1C ZINC000415599981 420122148 /nfs/dbraw/zinc/12/21/48/420122148.db2.gz NBQGCMXAHGDGPC-UHFFFAOYSA-N 1 0 324.337 1.421 20 5 DDBDRO COc1ccc(NC(=O)C[NH2+]C[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000423718431 420141380 /nfs/dbraw/zinc/14/13/80/420141380.db2.gz CPNMPFZTVOMKOX-NSHDSACASA-N 1 0 309.322 1.311 20 5 DDBDRO COC(=O)c1cc(C(=O)N2CC[NH2+][C@H](C)[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000423591609 420091941 /nfs/dbraw/zinc/09/19/41/420091941.db2.gz CKCROKMJPCTLBD-ZJUUUORDSA-N 1 0 321.333 1.204 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CCC[NH2+]CC1 ZINC000430924222 420207631 /nfs/dbraw/zinc/20/76/31/420207631.db2.gz IITPOVXIAXMXFQ-NSHDSACASA-N 1 0 322.365 1.226 20 5 DDBDRO CC(C)c1ccc(C(=O)NC[C@H]2C[NH2+]CCCO2)cc1[N+](=O)[O-] ZINC000423754028 420161683 /nfs/dbraw/zinc/16/16/83/420161683.db2.gz ZBXKVDLDQTZVDO-CYBMUJFWSA-N 1 0 321.377 1.827 20 5 DDBDRO C[C@@H]1[NH2+]CCC[C@@H]1Nc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000420251668 420169173 /nfs/dbraw/zinc/16/91/73/420169173.db2.gz XPMLTGJDEJCZRI-CABZTGNLSA-N 1 0 303.322 2.197 20 5 DDBDRO [NH3+][C@@H]1CCC[C@H](CNc2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000420274330 420176875 /nfs/dbraw/zinc/17/68/75/420176875.db2.gz FNLBYTXGPRFMDA-WDEREUQCSA-N 1 0 301.350 2.467 20 5 DDBDRO COc1ccc(NC(=O)[C@@H](C)N2CC[C@H]([NH3+])[C@@H]2C)c([N+](=O)[O-])c1 ZINC000420349886 420226315 /nfs/dbraw/zinc/22/63/15/420226315.db2.gz FANPASCLWFARIW-UMNHJUIQSA-N 1 0 322.365 1.352 20 5 DDBDRO O=C(CCN1C[C@H]2CCC[C@@H](C1)[NH2+]2)Nc1ccccc1[N+](=O)[O-] ZINC000420351632 420230075 /nfs/dbraw/zinc/23/00/75/420230075.db2.gz XRFUMDCMKKIAJS-BETUJISGSA-N 1 0 318.377 1.750 20 5 DDBDRO CN(C(=O)CN[C@H]1CC[NH2+]CC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000420372555 420243377 /nfs/dbraw/zinc/24/33/77/420243377.db2.gz YFQXVRBYPUIINK-AWEZNQCLSA-N 1 0 320.393 1.535 20 5 DDBDRO Cc1ccc([C@H](C)[NH2+]CCC(=O)N2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000420416206 420271438 /nfs/dbraw/zinc/27/14/38/420271438.db2.gz VJRDFBOEJHLODM-ZDUSSCGKSA-N 1 0 320.393 1.376 20 5 DDBDRO Cc1nn(CCC(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)c(C)c1[N+](=O)[O-] ZINC000423983615 420290854 /nfs/dbraw/zinc/29/08/54/420290854.db2.gz NCRHKCXOMSZCPN-MEBBXXQBSA-N 1 0 323.397 1.242 20 5 DDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCCC[C@@H]2CCC[NH2+]2)s1 ZINC000420441462 420290834 /nfs/dbraw/zinc/29/08/34/420290834.db2.gz IQYKMGQYHYRBAB-VIFPVBQESA-N 1 0 319.408 1.467 20 5 DDBDRO COc1cccc(C(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)c1[N+](=O)[O-] ZINC000423977240 420288594 /nfs/dbraw/zinc/28/85/94/420288594.db2.gz UUXOUOHTEJPKPG-MEBBXXQBSA-N 1 0 307.350 1.660 20 5 DDBDRO COc1ccc(C[N@@H+]2CC[C@@H](c3nnc[nH]3)C2)cc1[N+](=O)[O-] ZINC000425355468 420362052 /nfs/dbraw/zinc/36/20/52/420362052.db2.gz LTVWAGOZHLZUCL-LLVKDONJSA-N 1 0 303.322 1.711 20 5 DDBDRO C[C@@H]1CN(C(=O)CNc2ccccc2[N+](=O)[O-])C[C@@]1(C)C[NH3+] ZINC000423989007 420293570 /nfs/dbraw/zinc/29/35/70/420293570.db2.gz ZFBKPUJXLVTLAM-IAQYHMDHSA-N 1 0 306.366 1.450 20 5 DDBDRO CO[C@H](C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)C1CC1 ZINC000425417025 420378529 /nfs/dbraw/zinc/37/85/29/420378529.db2.gz MCMKCXUHJTZZNE-TZMCWYRMSA-N 1 0 306.366 1.901 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000416493203 420392683 /nfs/dbraw/zinc/39/26/83/420392683.db2.gz CXVPPMXMZNOPII-NSHDSACASA-N 1 0 313.379 1.133 20 5 DDBDRO C[N@H+](C[C@@H](O)CNCCNc1ccccc1[N+](=O)[O-])C1CC1 ZINC001120569876 782027535 /nfs/dbraw/zinc/02/75/35/782027535.db2.gz LGYHYTVYHLCQGT-ZDUSSCGKSA-N 1 0 308.382 1.051 20 5 DDBDRO Cn1c(C(=O)N(CC[NH+](C)C)Cc2ccco2)ccc1[N+](=O)[O-] ZINC000446429437 230267070 /nfs/dbraw/zinc/26/70/70/230267070.db2.gz JNTSQIAEVJYBCD-UHFFFAOYSA-N 1 0 320.349 1.730 20 5 DDBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](CC[C@@H]3CCOC3)C2)nc1 ZINC000438096542 420438926 /nfs/dbraw/zinc/43/89/26/420438926.db2.gz OWDGXCZLZIKYRK-OLZOCXBDSA-N 1 0 306.366 1.903 20 5 DDBDRO C[N@H+]1CC=C(CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000492338596 420527662 /nfs/dbraw/zinc/52/76/62/420527662.db2.gz ABHIVMYIHFHTSD-QPJJXVBHSA-N 1 0 301.346 1.986 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC[C@H]([NH3+])C(C)C ZINC000440403643 420573408 /nfs/dbraw/zinc/57/34/08/420573408.db2.gz DFXHAYNJTQEBFW-LBPRGKRZSA-N 1 0 315.395 1.473 20 5 DDBDRO CC1(C)CCC[N@@H+]1CCNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000457051340 420597392 /nfs/dbraw/zinc/59/73/92/420597392.db2.gz HXDQPWLIUTZNSP-UHFFFAOYSA-N 1 0 308.338 1.300 20 5 DDBDRO C[C@@H]1CCC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@H]1CO ZINC000441692432 420659577 /nfs/dbraw/zinc/65/95/77/420659577.db2.gz TUCRKFAXGKSFBY-INWMFGNUSA-N 1 0 324.377 1.427 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000452789159 420662006 /nfs/dbraw/zinc/66/20/06/420662006.db2.gz AFWAGTRNKJGULS-CYBMUJFWSA-N 1 0 321.377 1.480 20 5 DDBDRO O=C(NCCNc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000492892024 420701257 /nfs/dbraw/zinc/70/12/57/420701257.db2.gz ODMTVUXGGOZUJS-OAHLLOKOSA-N 1 0 318.377 1.750 20 5 DDBDRO C[C@@H]1C[NH2+]C[C@H](C)N1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000493842648 420955546 /nfs/dbraw/zinc/95/55/46/420955546.db2.gz IGHGDHZXXBJHTD-PHIMTYICSA-N 1 0 317.349 1.827 20 5 DDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000449144257 420960416 /nfs/dbraw/zinc/96/04/16/420960416.db2.gz SIHSNVMMRZBYEH-NSHDSACASA-N 1 0 316.321 1.191 20 5 DDBDRO O=C(N[C@@H]1C[NH2+]CCC1(F)F)c1ccc(F)cc1[N+](=O)[O-] ZINC000449660817 421050462 /nfs/dbraw/zinc/05/04/62/421050462.db2.gz GYUPGXIJTHHQDW-SNVBAGLBSA-N 1 0 303.240 1.461 20 5 DDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000449688311 421058802 /nfs/dbraw/zinc/05/88/02/421058802.db2.gz GDXUHBLMZBLQMT-LSDHHAIUSA-N 1 0 317.389 1.985 20 5 DDBDRO CCOc1ccc(C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000449714097 421066490 /nfs/dbraw/zinc/06/64/90/421066490.db2.gz ZNPMNWMIDBPDEZ-CMPLNLGQSA-N 1 0 307.350 1.851 20 5 DDBDRO CCc1n[nH]c(C(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000489382639 421151211 /nfs/dbraw/zinc/15/12/11/421151211.db2.gz BQZFXQODBQHFQK-LLVKDONJSA-N 1 0 309.370 1.293 20 5 DDBDRO C[C@H]1C[C@H](NC(=O)NCc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000524783285 421273671 /nfs/dbraw/zinc/27/36/71/421273671.db2.gz FTGMFNKPELCJOC-WCQYABFASA-N 1 0 306.366 1.877 20 5 DDBDRO C[N@@H+]1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1(C)C ZINC000551042176 421526350 /nfs/dbraw/zinc/52/63/50/421526350.db2.gz KEPOQXLXQVPQHE-UHFFFAOYSA-N 1 0 321.377 1.987 20 5 DDBDRO COC(=O)CC1([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000563222526 421474829 /nfs/dbraw/zinc/47/48/29/421474829.db2.gz WYOHTSLAXSXDCM-LLVKDONJSA-N 1 0 324.333 1.020 20 5 DDBDRO O=C1NCC[C@]12CCC[N@H+]2CCOc1cccc([N+](=O)[O-])c1 ZINC000516875018 421575326 /nfs/dbraw/zinc/57/53/26/421575326.db2.gz BIXMRMJCNIHQLY-OAHLLOKOSA-N 1 0 305.334 1.328 20 5 DDBDRO CC(C)Oc1nc(NCC[N@@H+]2CCCOCC2)ccc1[N+](=O)[O-] ZINC000569471061 421626450 /nfs/dbraw/zinc/62/64/50/421626450.db2.gz GIZXLLJZHXIPJW-UHFFFAOYSA-N 1 0 324.381 1.911 20 5 DDBDRO CCc1n[nH]c(C(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000518026772 421637870 /nfs/dbraw/zinc/63/78/70/421637870.db2.gz FJNRDLUWOGRPPM-SNVBAGLBSA-N 1 0 309.370 1.340 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000571162311 421692626 /nfs/dbraw/zinc/69/26/26/421692626.db2.gz PYFBGFASRWGYQX-IPYPFGDCSA-N 1 0 322.361 1.445 20 5 DDBDRO C[C@@H](C(=O)NCCN1CCO[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000555307757 421675021 /nfs/dbraw/zinc/67/50/21/421675021.db2.gz MJODKWFAUMOQOM-CHWSQXEVSA-N 1 0 321.377 1.535 20 5 DDBDRO CC[C@@H]1CN(C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000556806915 421739112 /nfs/dbraw/zinc/73/91/12/421739112.db2.gz MFFPTKUTXOTPBR-LLVKDONJSA-N 1 0 307.350 1.770 20 5 DDBDRO CC(C)[N@H+](C)CC1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC000558737214 421823700 /nfs/dbraw/zinc/82/37/00/421823700.db2.gz WVIJNNUSZKMPKN-UHFFFAOYSA-N 1 0 309.370 1.510 20 5 DDBDRO COC(=O)[C@@H]1C[C@H](O)C[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000592201833 422330149 /nfs/dbraw/zinc/33/01/49/422330149.db2.gz WDTKQPMHNPKIDS-TUAOUCFPSA-N 1 0 308.334 1.512 20 5 DDBDRO CCC(CC)[C@H](CNc1ccc2ncc([N+](=O)[O-])n2n1)[NH+](C)C ZINC000596072218 422361279 /nfs/dbraw/zinc/36/12/79/422361279.db2.gz ZXVGZQGABDOBDZ-LBPRGKRZSA-N 1 0 320.397 2.416 20 5 DDBDRO CN(C)C1(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCC1 ZINC000577624321 422395818 /nfs/dbraw/zinc/39/58/18/422395818.db2.gz XSNFRWCBXCFCIP-AWEZNQCLSA-N 1 0 323.393 1.408 20 5 DDBDRO C[N@@H+]1CCN(CCn2ccc([N+](=O)[O-])n2)CC12CCCCC2 ZINC000578451065 422572930 /nfs/dbraw/zinc/57/29/30/422572930.db2.gz SYVBVEFIKDJTGV-UHFFFAOYSA-N 1 0 307.398 1.742 20 5 DDBDRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000579241156 422732725 /nfs/dbraw/zinc/73/27/25/422732725.db2.gz KKUIDAPDXIOKDW-VHSXEESVSA-N 1 0 321.333 1.523 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@@]23CCOC3)c1 ZINC000341978026 271265260 /nfs/dbraw/zinc/26/52/60/271265260.db2.gz XFMBTZBXLBURAG-ZBFHGGJFSA-N 1 0 322.361 1.589 20 5 DDBDRO CC[NH+](CC)[C@H]1CCN(c2cccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000342293627 271368693 /nfs/dbraw/zinc/36/86/93/271368693.db2.gz LZKYGYVLJUEZQS-NSHDSACASA-N 1 0 306.366 1.614 20 5 DDBDRO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000343646913 271825754 /nfs/dbraw/zinc/82/57/54/271825754.db2.gz SNRFNDRCCQHLST-HNNXBMFYSA-N 1 0 307.325 1.950 20 5 DDBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H](O)C[NH+]1CCCCC1 ZINC000192496375 273782537 /nfs/dbraw/zinc/78/25/37/273782537.db2.gz DEHHHELQBPFPIG-GFCCVEGCSA-N 1 0 311.386 1.378 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000420261938 274004701 /nfs/dbraw/zinc/00/47/01/274004701.db2.gz QJVUWKONDQILSS-RYUDHWBXSA-N 1 0 305.334 1.427 20 5 DDBDRO COC[C@](C)([NH3+])CNc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000278448444 274052461 /nfs/dbraw/zinc/05/24/61/274052461.db2.gz RILLBJZSDNHRIS-SNVBAGLBSA-N 1 0 308.260 1.784 20 5 DDBDRO COc1cc(F)c([N+](=O)[O-])c(NC[C@](C)(O)C[NH+](C)C)c1 ZINC000301771040 274095896 /nfs/dbraw/zinc/09/58/96/274095896.db2.gz KUBQMFCWDPYDLL-ZDUSSCGKSA-N 1 0 301.318 1.467 20 5 DDBDRO C[C@@H]1CC[NH2+][C@@H](C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)C1 ZINC000423823644 274308428 /nfs/dbraw/zinc/30/84/28/274308428.db2.gz IMHGZNFIOKAFDE-QMTHXVAHSA-N 1 0 304.350 1.263 20 5 DDBDRO CC(C)c1ccc(C[NH2+]C[C@@H](O)Cn2ccnn2)cc1[N+](=O)[O-] ZINC000459690445 275740759 /nfs/dbraw/zinc/74/07/59/275740759.db2.gz FIURRWPUDHMGMG-CYBMUJFWSA-N 1 0 319.365 1.460 20 5 DDBDRO CCOc1cccc(N2CC[NH+]([C@@H](CC)CO)CC2)c1[N+](=O)[O-] ZINC000184126086 276381107 /nfs/dbraw/zinc/38/11/07/276381107.db2.gz LBNBZPOFEBRKNR-ZDUSSCGKSA-N 1 0 323.393 1.886 20 5 DDBDRO C[NH+](C)C[C@@](C)(O)CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000269889581 276767217 /nfs/dbraw/zinc/76/72/17/276767217.db2.gz KCAVNEPSXGYBCC-HNNXBMFYSA-N 1 0 321.333 1.383 20 5 DDBDRO C[NH+](C)[C@@H]1CCCN(C(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000277100935 276829086 /nfs/dbraw/zinc/82/90/86/276829086.db2.gz CNQHCFHQXWLGNN-CYBMUJFWSA-N 1 0 321.377 1.916 20 5 DDBDRO CC(=O)NCCC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447536299 277031798 /nfs/dbraw/zinc/03/17/98/277031798.db2.gz MHIGBQBOPYFTMG-CHWSQXEVSA-N 1 0 309.370 1.391 20 5 DDBDRO C[N@@H+]1CCO[C@@H]2CCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)C[C@@H]21 ZINC000284887880 277121708 /nfs/dbraw/zinc/12/17/08/277121708.db2.gz GWNNXUMCCNJIDR-UONOGXRCSA-N 1 0 317.349 1.380 20 5 DDBDRO C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3ccc(F)cc3[N+](=O)[O-])[C@H]2C1 ZINC000408056059 277152278 /nfs/dbraw/zinc/15/22/78/277152278.db2.gz CIYUCHIIYSYRMJ-KBPBESRZSA-N 1 0 323.324 1.279 20 5 DDBDRO C[N@@H+]1CC[C@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000286002004 277179939 /nfs/dbraw/zinc/17/99/39/277179939.db2.gz ZAJJBUZCMFAFCU-UONOGXRCSA-N 1 0 305.334 1.140 20 5 DDBDRO COC[C@@H]([NH2+]CCOc1ccc(OC)cc1[N+](=O)[O-])C1CC1 ZINC000183436756 277568895 /nfs/dbraw/zinc/56/88/95/277568895.db2.gz VQCCMODIYUVXQJ-CYBMUJFWSA-N 1 0 310.350 1.997 20 5 DDBDRO CC(C)[C@@H]([NH3+])CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000269255021 277752990 /nfs/dbraw/zinc/75/29/90/277752990.db2.gz HIXBDTRRTGGOCA-JTQLQIEISA-N 1 0 309.322 1.079 20 5 DDBDRO C[C@@H]([NH2+]C1CC1)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000294696758 278333865 /nfs/dbraw/zinc/33/38/65/278333865.db2.gz GIQGHCOVRFYNIZ-GFCCVEGCSA-N 1 0 318.377 1.384 20 5 DDBDRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000275105571 278373001 /nfs/dbraw/zinc/37/30/01/278373001.db2.gz DMPKXNJNYFDNAL-ONGXEEELSA-N 1 0 321.333 1.094 20 5 DDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000044528896 278609626 /nfs/dbraw/zinc/60/96/26/278609626.db2.gz HQMFGYQBCDNDNK-NSHDSACASA-N 1 0 313.379 1.263 20 5 DDBDRO C[C@]1(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)CCC[NH2+]C1 ZINC000237602607 280151297 /nfs/dbraw/zinc/15/12/97/280151297.db2.gz PGSFKWFBSFQAID-AWEZNQCLSA-N 1 0 303.322 1.799 20 5 DDBDRO Cc1n[nH]c(C(=O)NC[C@H]2CCC[N@H+]2CC(C)C)c1[N+](=O)[O-] ZINC000269790127 280189977 /nfs/dbraw/zinc/18/99/77/280189977.db2.gz GFXFJROLGJPIJL-LLVKDONJSA-N 1 0 309.370 1.477 20 5 DDBDRO Cc1c(C(=O)N2CCC[C@H]([NH3+])C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000158246390 280206114 /nfs/dbraw/zinc/20/61/14/280206114.db2.gz VHWTVWAGPCKKEH-JTQLQIEISA-N 1 0 322.321 1.683 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N(C)CC[NH+](C)C)c1C ZINC000268850151 281015755 /nfs/dbraw/zinc/01/57/55/281015755.db2.gz KFNAIZMBUWHSSV-UHFFFAOYSA-N 1 0 315.395 1.394 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@@H]([NH3+])C(C)C ZINC000070447450 281261998 /nfs/dbraw/zinc/26/19/98/281261998.db2.gz LTQKDZCALDOOLC-SNVBAGLBSA-N 1 0 301.368 1.165 20 5 DDBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000262458937 290266918 /nfs/dbraw/zinc/26/69/18/290266918.db2.gz IKGBQLZRIXXTPR-ZIAGYGMSSA-N 1 0 304.394 1.635 20 5 DDBDRO C[C@@H]1CN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@H]1[NH3+] ZINC000447248892 297061481 /nfs/dbraw/zinc/06/14/81/297061481.db2.gz LIQQDFMSXQUJGS-VXNVDRBHSA-N 1 0 319.770 1.216 20 5 DDBDRO C[NH+]1C[C@H]2CN(c3nc(-c4ccc([N+](=O)[O-])cc4)no3)C[C@@H]2C1 ZINC000362663731 300113052 /nfs/dbraw/zinc/11/30/52/300113052.db2.gz LTNMMIIVEMAHKZ-RYUDHWBXSA-N 1 0 315.333 1.643 20 5 DDBDRO C[NH+]1CCC(Oc2cc(NC(=O)[C@@H]3CC3[N+](=O)[O-])ccn2)CC1 ZINC000364174333 300353713 /nfs/dbraw/zinc/35/37/13/300353713.db2.gz UXVIKTFDKCUKBA-CHWSQXEVSA-N 1 0 320.349 1.158 20 5 DDBDRO COc1cccc(N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c1[N+](=O)[O-] ZINC000368384982 301015924 /nfs/dbraw/zinc/01/59/24/301015924.db2.gz ZGAYGMFJCYUWLL-OCCSQVGLSA-N 1 0 321.377 1.639 20 5 DDBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3F)C[C@H]21 ZINC000368596849 301062055 /nfs/dbraw/zinc/06/20/55/301062055.db2.gz WFOKGLZMQIUMCF-IINYFYTJSA-N 1 0 307.325 1.900 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1CN1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000370044619 301264690 /nfs/dbraw/zinc/26/46/90/301264690.db2.gz FQRNQKQOVVRJCI-UPJWGTAASA-N 1 0 305.382 1.244 20 5 DDBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@H]1C[C@H]1[N+](=O)[O-] ZINC000370163941 301286317 /nfs/dbraw/zinc/28/63/17/301286317.db2.gz UURHDVPYWKHEFK-SYAUCNOPSA-N 1 0 317.389 1.678 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000228074914 302046520 /nfs/dbraw/zinc/04/65/20/302046520.db2.gz CJYOCTUATPMQSR-GHMZBOCLSA-N 1 0 313.379 1.261 20 5 DDBDRO O=[N+]([O-])c1ccc(CN2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1 ZINC000376496367 302084976 /nfs/dbraw/zinc/08/49/76/302084976.db2.gz WPVOEOTUALOYHW-HZPDHXFCSA-N 1 0 305.378 1.626 20 5 DDBDRO COc1ccc(CC(=O)NC[C@]2(C)CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000519766845 302853451 /nfs/dbraw/zinc/85/34/51/302853451.db2.gz XEWYEDZCIAWNJJ-MRXNPFEDSA-N 1 0 321.377 1.652 20 5 DDBDRO CNc1ccc(C(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000519774092 302853877 /nfs/dbraw/zinc/85/38/77/302853877.db2.gz LZZFJMVXSARUJA-MFKMUULPSA-N 1 0 306.366 1.978 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@](C)(C[NH3+])C2CC2)c1 ZINC000520796216 302867550 /nfs/dbraw/zinc/86/75/50/302867550.db2.gz BCNYTXHHCITWRC-HNNXBMFYSA-N 1 0 307.350 1.851 20 5 DDBDRO CC[C@@H]1CC[N@@H+]([C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000531025998 303226020 /nfs/dbraw/zinc/22/60/20/303226020.db2.gz SHBZZADJFVZNDX-BXUZGUMPSA-N 1 0 317.345 1.959 20 5 DDBDRO COc1ccc(CC(=O)N2CC[N@H+](C)[C@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000536608802 303365688 /nfs/dbraw/zinc/36/56/88/303365688.db2.gz RRAFJVGRAVLPBN-VXGBXAGGSA-N 1 0 321.377 1.697 20 5 DDBDRO CN1C[C@@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CCC1=O ZINC000562994734 303907329 /nfs/dbraw/zinc/90/73/29/303907329.db2.gz CZSRGQMWSCCLPG-NSHDSACASA-N 1 0 320.349 1.134 20 5 DDBDRO C[C@H]1C[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@H]1CO ZINC000362068726 307012611 /nfs/dbraw/zinc/01/26/11/307012611.db2.gz CPMRGUWYRXHPAV-RYUDHWBXSA-N 1 0 307.350 1.118 20 5 DDBDRO Cc1cc(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(N)c([N+](=O)[O-])c1 ZINC000365182779 307060797 /nfs/dbraw/zinc/06/07/97/307060797.db2.gz IQJICXBJMOYVQU-VXGBXAGGSA-N 1 0 318.377 1.842 20 5 DDBDRO Nc1c(C(=O)N2CCC[C@H]3C[NH2+]CCC[C@@H]32)cccc1[N+](=O)[O-] ZINC000366443141 307074009 /nfs/dbraw/zinc/07/40/09/307074009.db2.gz FSIBWJZPBNTXEP-AAEUAGOBSA-N 1 0 318.377 1.781 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000371019375 307140978 /nfs/dbraw/zinc/14/09/78/307140978.db2.gz RMDYSJIXTSQSGW-CHWSQXEVSA-N 1 0 321.381 1.090 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000372919158 307176516 /nfs/dbraw/zinc/17/65/16/307176516.db2.gz NSSFQYFKWOVQCU-RISCZKNCSA-N 1 0 305.334 1.184 20 5 DDBDRO Nc1ccc(N2CC[NH+]([C@H]3CCSC3)CC2)c([N+](=O)[O-])c1 ZINC000376454135 307244474 /nfs/dbraw/zinc/24/44/74/307244474.db2.gz JIJXEKVGWHTDOO-LBPRGKRZSA-N 1 0 308.407 1.805 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCOC3(CCOCC3)CC2)n1 ZINC000377250228 307266938 /nfs/dbraw/zinc/26/69/38/307266938.db2.gz MOVDLFAOVZVQLE-UHFFFAOYSA-N 1 0 310.354 1.063 20 5 DDBDRO C[N@@H+]1CC[C@@H]2OCCN(c3nc4sccn4c3[N+](=O)[O-])[C@H]2C1 ZINC000408028068 307298386 /nfs/dbraw/zinc/29/83/86/307298386.db2.gz CJENSKMOUNEANE-UWVGGRQHSA-N 1 0 323.378 1.213 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H]1C[C@H](O)C1(C)C ZINC000517244868 307431885 /nfs/dbraw/zinc/43/18/85/307431885.db2.gz NKLUJUQDKSVKTC-NEPJUHHUSA-N 1 0 307.350 1.591 20 5 DDBDRO CCCC[C@H](C[NH3+])NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000563101813 307957007 /nfs/dbraw/zinc/95/70/07/307957007.db2.gz OORINRAFUIVDEV-SNVBAGLBSA-N 1 0 323.349 1.613 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]Cc2cc3ccccc3[nH]2)c1 ZINC000567681270 308089240 /nfs/dbraw/zinc/08/92/40/308089240.db2.gz OCNINUQHPAFBOP-CQSZACIVSA-N 1 0 315.333 1.423 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2CC[C@H]3CCC[C@@H]3C2)c1 ZINC000569214474 308137094 /nfs/dbraw/zinc/13/70/94/308137094.db2.gz SPKQXLIHWALLNM-RGCMKSIDSA-N 1 0 308.382 1.711 20 5 DDBDRO C[C@H](NC(=O)NCc1cccc([N+](=O)[O-])c1)[C@H]1CCC[NH2+]C1 ZINC000570813120 308181419 /nfs/dbraw/zinc/18/14/19/308181419.db2.gz BUKIJVBKOWMJSN-AAEUAGOBSA-N 1 0 306.366 1.782 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C[C@@H]2C[C@H]2C2CC2)c1 ZINC000572714492 308222853 /nfs/dbraw/zinc/22/28/53/308222853.db2.gz MRULTMBSTFZBGP-NOLJZWGESA-N 1 0 306.362 1.970 20 5 DDBDRO COc1ccc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c(F)c1 ZINC000573835163 308252972 /nfs/dbraw/zinc/25/29/72/308252972.db2.gz LAZKOANFFOYZJS-LBPRGKRZSA-N 1 0 324.312 1.090 20 5 DDBDRO [NH3+]CCC1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000581375184 325841952 /nfs/dbraw/zinc/84/19/52/325841952.db2.gz RYAOOPXPJOLCDS-UHFFFAOYSA-N 1 0 306.366 1.865 20 5 DDBDRO O=C(Nc1nc(C2CC[NH2+]CC2)cs1)c1n[nH]cc1[N+](=O)[O-] ZINC000584231143 331872861 /nfs/dbraw/zinc/87/28/61/331872861.db2.gz BWBDJUNSKFRANN-UHFFFAOYSA-N 1 0 322.350 1.494 20 5 DDBDRO CC[NH2+]CCCNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000036299412 337352834 /nfs/dbraw/zinc/35/28/34/337352834.db2.gz IXGVZMSRUQVJTQ-UHFFFAOYSA-N 1 0 301.368 1.181 20 5 DDBDRO COC(=O)c1cc(C(=O)NC[C@H]2CCC[NH2+]C2)cc([N+](=O)[O-])c1 ZINC000422757085 533736026 /nfs/dbraw/zinc/73/60/26/533736026.db2.gz JLAWAMAXRCTKQS-JTQLQIEISA-N 1 0 321.333 1.111 20 5 DDBDRO COc1cc(C[N@H+](C)[C@H](C)CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000434699913 533793432 /nfs/dbraw/zinc/79/34/32/533793432.db2.gz PCULDAGAXRRPHI-CYBMUJFWSA-N 1 0 323.393 1.756 20 5 DDBDRO C[C@@H]1C[C@H](C)N(C(=O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000424053127 533811773 /nfs/dbraw/zinc/81/17/73/533811773.db2.gz NZKZJOLURHMNLS-AGIUHOORSA-N 1 0 321.377 1.805 20 5 DDBDRO C[C@@H]1CCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)[C@H](C[NH3+])C1 ZINC000417236478 533967292 /nfs/dbraw/zinc/96/72/92/533967292.db2.gz ULPOHZBLPMLXQU-DOMZBBRYSA-N 1 0 320.393 1.906 20 5 DDBDRO C[C@H]1C[C@@H](NC(=O)COc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000330918569 534104515 /nfs/dbraw/zinc/10/45/15/534104515.db2.gz XMDBFEPJPFLFJU-RYUDHWBXSA-N 1 0 307.350 1.573 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@@H](C[NH+](C)C)C2)c1 ZINC000302068107 534244347 /nfs/dbraw/zinc/24/43/47/534244347.db2.gz DHANYZBBIPOPSB-NSHDSACASA-N 1 0 307.350 1.769 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000494453921 534338924 /nfs/dbraw/zinc/33/89/24/534338924.db2.gz KQVMHUHWKKSXTN-CJNGLKHVSA-N 1 0 319.361 1.999 20 5 DDBDRO CC(C)[C@@H]([NH3+])CCN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000156743732 519796432 /nfs/dbraw/zinc/79/64/32/519796432.db2.gz HWMISURSOZVOTI-ZDUSSCGKSA-N 1 0 315.395 1.589 20 5 DDBDRO O=C(NC[C@@H]1CC[NH2+]C1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000418508679 534596255 /nfs/dbraw/zinc/59/62/55/534596255.db2.gz AGWFEPSDAVKAON-LLVKDONJSA-N 1 0 320.349 1.108 20 5 DDBDRO O=C([C@@H]1C[C@]12CC[NH2+]C2)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000444119758 534613810 /nfs/dbraw/zinc/61/38/10/534613810.db2.gz BQWIMWAEKDONKQ-HOCLYGCPSA-N 1 0 301.346 1.479 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000293503899 534628062 /nfs/dbraw/zinc/62/80/62/534628062.db2.gz SQWNLWLMQQCBOA-MFKMUULPSA-N 1 0 323.324 1.323 20 5 DDBDRO CC(C)(CC[NH3+])NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000424045276 527023148 /nfs/dbraw/zinc/02/31/48/527023148.db2.gz HUVLSMPZYHHOCG-UHFFFAOYSA-N 1 0 323.349 1.152 20 5 DDBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])cnc2N)[C@H](C)C1 ZINC000330832857 527827269 /nfs/dbraw/zinc/82/72/69/527827269.db2.gz VKJCIBVOVSVOEE-MFKMUULPSA-N 1 0 321.381 1.374 20 5 DDBDRO CCOC(=O)[C@@H]1NCC[C@H]1[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000422948597 527914442 /nfs/dbraw/zinc/91/44/42/527914442.db2.gz ROVRCLZHNFSMBX-LERXQTSPSA-N 1 0 307.350 1.539 20 5 DDBDRO CC[N@H+](CC(C)(C)O)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000305721686 527954437 /nfs/dbraw/zinc/95/44/37/527954437.db2.gz ILSWDPWLMXLFFI-AWEZNQCLSA-N 1 0 321.377 1.793 20 5 DDBDRO CCC[NH+]1CCC(N(C)C(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000330831795 528193608 /nfs/dbraw/zinc/19/36/08/528193608.db2.gz UTSRMYWBBBOGKX-UHFFFAOYSA-N 1 0 321.381 1.518 20 5 DDBDRO CCC[NH+]1CCC(N(C)C(=O)c2c([N+](=O)[O-])c(C)nn2C)CC1 ZINC000299261280 528194020 /nfs/dbraw/zinc/19/40/20/528194020.db2.gz UEXLEEJMQSPRFW-UHFFFAOYSA-N 1 0 323.397 1.583 20 5 DDBDRO CCOc1cc(C[N@@H+]2CC[C@](CO)(COC)C2)ccc1[N+](=O)[O-] ZINC000451940465 528266608 /nfs/dbraw/zinc/26/66/08/528266608.db2.gz YHGSAABZGIAQAQ-INIZCTEOSA-N 1 0 324.377 1.824 20 5 DDBDRO CCOc1ccc(C(=O)N2CC[C@H]([NH3+])[C@H](C)C2)cc1[N+](=O)[O-] ZINC000429175650 528394625 /nfs/dbraw/zinc/39/46/25/528394625.db2.gz KFQUHWROROVYDW-PWSUYJOCSA-N 1 0 307.350 1.803 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000422839737 528691651 /nfs/dbraw/zinc/69/16/51/528691651.db2.gz AGRLZVGPGWGMTH-QWRGUYRKSA-N 1 0 307.350 1.803 20 5 DDBDRO CC[N@@H+]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C[C@H]1C ZINC000825465068 607821716 /nfs/dbraw/zinc/82/17/16/607821716.db2.gz HIGFCIVDFCAILP-SNVBAGLBSA-N 1 0 317.353 1.305 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC2(CC1)OCCO2 ZINC000797516562 700012919 /nfs/dbraw/zinc/01/29/19/700012919.db2.gz NHDSODHWAZQNMN-UHFFFAOYSA-N 1 0 308.334 1.942 20 5 DDBDRO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CC[NH2+]CC1 ZINC000050280151 696230233 /nfs/dbraw/zinc/23/02/33/696230233.db2.gz MHGZGMGDRFUCGX-VIFPVBQESA-N 1 0 312.757 1.480 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N(C)CC[NH+]1CCCC1 ZINC000103119344 696612824 /nfs/dbraw/zinc/61/28/24/696612824.db2.gz TUTNWNYKLOAYDS-UHFFFAOYSA-N 1 0 320.393 1.829 20 5 DDBDRO C[C@@H](C(=O)OCCn1ccc([N+](=O)[O-])n1)[NH+]1CCCCCC1 ZINC000748128743 700101234 /nfs/dbraw/zinc/10/12/34/700101234.db2.gz KPARICPWIFKHLK-LBPRGKRZSA-N 1 0 310.354 1.599 20 5 DDBDRO CC[NH+](CC)CCNS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000119299792 696678984 /nfs/dbraw/zinc/67/89/84/696678984.db2.gz FHZSRYVVCIPXHP-UHFFFAOYSA-N 1 0 307.397 1.276 20 5 DDBDRO C[C@@H]1C[C@@H]([NH3+])CCN1S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000125115968 696749613 /nfs/dbraw/zinc/74/96/13/696749613.db2.gz RGOBUKKUXYOBHV-BDAKNGLRSA-N 1 0 317.342 1.234 20 5 DDBDRO C[NH+](C)[C@H]1CCCN(Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000152315109 696897670 /nfs/dbraw/zinc/89/76/70/696897670.db2.gz DRHKGALEROEWJM-AWEZNQCLSA-N 1 0 303.366 1.928 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]C[C@H]1C[C@H](NC(=O)C2(C)CC2)C1 ZINC000983716197 697289306 /nfs/dbraw/zinc/28/93/06/697289306.db2.gz NHZYYGAVBWYWFL-XYPYZODXSA-N 1 0 321.381 1.113 20 5 DDBDRO Cc1nn(C[N@H+](C)C[C@@H]2CCOC2)c2ncc([N+](=O)[O-])cc12 ZINC000749964590 700195501 /nfs/dbraw/zinc/19/55/01/700195501.db2.gz QJWJZPYRTNKTPX-NSHDSACASA-N 1 0 305.338 1.574 20 5 DDBDRO CN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000750066378 700201997 /nfs/dbraw/zinc/20/19/97/700201997.db2.gz ISYXXUOBHMDGHR-JKSUJKDBSA-N 1 0 305.378 1.797 20 5 DDBDRO CC(C)(CO)[NH+]1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000750107871 700203834 /nfs/dbraw/zinc/20/38/34/700203834.db2.gz TUFQAPGHAWGCST-OAHLLOKOSA-N 1 0 323.393 1.017 20 5 DDBDRO COc1ccc(C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)cc1[N+](=O)[O-] ZINC000424021011 699147124 /nfs/dbraw/zinc/14/71/24/699147124.db2.gz AKQMKTGDCJDFRX-HNNXBMFYSA-N 1 0 305.334 1.572 20 5 DDBDRO [NH3+]C1CC2(C1)CC(NS(=O)(=O)c1ccccc1[N+](=O)[O-])C2 ZINC000725373543 699331491 /nfs/dbraw/zinc/33/14/91/699331491.db2.gz YHQPJIUIFPSDKB-UHFFFAOYSA-N 1 0 311.363 1.143 20 5 DDBDRO CC1(C)CC[NH2+]CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000725374363 699331618 /nfs/dbraw/zinc/33/16/18/699331618.db2.gz JRVLUXYXRJRTJX-UHFFFAOYSA-N 1 0 313.379 1.357 20 5 DDBDRO O=C(NCCNc1cc[nH+]cc1)c1cc([N+](=O)[O-])ccc1Cl ZINC000732576011 699562990 /nfs/dbraw/zinc/56/29/90/699562990.db2.gz UCEULDDTWNUKIC-UHFFFAOYSA-N 1 0 320.736 1.907 20 5 DDBDRO CNC(=O)c1ccc(N2CCC[C@@H](C[NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000732804030 699571693 /nfs/dbraw/zinc/57/16/93/699571693.db2.gz SXVTXRAKTCBETD-LBPRGKRZSA-N 1 0 320.393 1.732 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@@H](CCO)c1cccs1 ZINC000754392088 700499796 /nfs/dbraw/zinc/49/97/96/700499796.db2.gz ZIIAQAHKYONEAK-LBPRGKRZSA-N 1 0 323.374 1.531 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@H](C(F)(F)F)C2)c1 ZINC000761056549 700837146 /nfs/dbraw/zinc/83/71/46/700837146.db2.gz YADKAXYKHMQBIA-WCBMZHEXSA-N 1 0 308.260 1.036 20 5 DDBDRO CC[NH+](CC)CC[C@@H](CO)Nc1nc2ccccn2c1[N+](=O)[O-] ZINC000808058719 701495886 /nfs/dbraw/zinc/49/58/86/701495886.db2.gz VDVGUURLJPBSPP-LBPRGKRZSA-N 1 0 321.381 1.747 20 5 DDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@H](C[NH+](C)C)C1 ZINC000814873442 701762772 /nfs/dbraw/zinc/76/27/72/701762772.db2.gz BIFIWLLTPWYNQF-LLVKDONJSA-N 1 0 306.366 1.342 20 5 DDBDRO COC(C)(C)CN(C)C(=O)[C@](C)(N)c1cccc([N+](=O)[O-])c1 ZINC000867927188 701835501 /nfs/dbraw/zinc/83/55/01/701835501.db2.gz CQMKMTHSYLNHSQ-OAHLLOKOSA-N 1 0 309.366 1.652 20 5 DDBDRO C[C@H](NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815576034 701898134 /nfs/dbraw/zinc/89/81/34/701898134.db2.gz HKIVUIJNQFUYRK-IACUBPJLSA-N 1 0 320.393 1.691 20 5 DDBDRO C[C@@H]([NH2+]C1CCC(C(N)=O)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815593514 701901368 /nfs/dbraw/zinc/90/13/68/701901368.db2.gz OPEQBPTZMYJJDN-GRZMOONWSA-N 1 0 306.366 1.872 20 5 DDBDRO C[C@H]([NH2+][C@H]1CC(=O)N(C2CC2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815594890 701902160 /nfs/dbraw/zinc/90/21/60/701902160.db2.gz AYSMIFFJSBSHFP-ONGXEEELSA-N 1 0 304.350 1.591 20 5 DDBDRO O=[N+]([O-])c1ccc2c(cnn2CN2CC[C@](O)(C(F)F)C2)c1 ZINC000840114810 701975260 /nfs/dbraw/zinc/97/52/60/701975260.db2.gz UGNOLZIVDVIJFG-CYBMUJFWSA-N 1 0 312.276 1.604 20 5 DDBDRO CN(C)C(=O)[C@@H]1CC[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000840178182 702014754 /nfs/dbraw/zinc/01/47/54/702014754.db2.gz MUJIVPDTSUBCLR-GFCCVEGCSA-N 1 0 317.349 1.312 20 5 DDBDRO CO[C@@H]1CC[C@@H](C)[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000879318737 706648261 /nfs/dbraw/zinc/64/82/61/706648261.db2.gz ZXQJKCVZBWBBBP-IVMMDQJWSA-N 1 0 324.377 1.834 20 5 DDBDRO C[N@@H+]1CC[C@H]2CN(c3c(C(N)=O)cccc3[N+](=O)[O-])CC[C@H]21 ZINC000866206837 706648626 /nfs/dbraw/zinc/64/86/26/706648626.db2.gz GDWRGYANPJTHCS-CMPLNLGQSA-N 1 0 304.350 1.224 20 5 DDBDRO CO[C@@H]1CC[C@@H](C)[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000879322300 706649786 /nfs/dbraw/zinc/64/97/86/706649786.db2.gz JGCPUVOPSIPDPY-ZWNOBZJWSA-N 1 0 307.350 1.693 20 5 DDBDRO O=C(NC[C@H]1C[NH2+]CCO1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000841011729 702310071 /nfs/dbraw/zinc/31/00/71/702310071.db2.gz SWFGMPHPEVKNIN-SECBINFHSA-N 1 0 314.729 1.358 20 5 DDBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H](O)c1cnn(C)c1 ZINC000866274273 706662590 /nfs/dbraw/zinc/66/25/90/706662590.db2.gz YXFUMPRYXVHJOC-ZUZCIYMTSA-N 1 0 322.340 1.722 20 5 DDBDRO C[C@H]([NH3+])C[C@H](C)NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000842913891 702790725 /nfs/dbraw/zinc/79/07/25/702790725.db2.gz JMDRIQQKFORBNU-YUMQZZPRSA-N 1 0 321.786 1.652 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@@H](CO)Cc2ccco2)cc1 ZINC000843059145 702810120 /nfs/dbraw/zinc/81/01/20/702810120.db2.gz GASXICPIUKTWAE-BLLLJJGKSA-N 1 0 320.345 1.662 20 5 DDBDRO C[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H](O)C(F)(F)F ZINC000843060020 702810420 /nfs/dbraw/zinc/81/04/20/702810420.db2.gz QSJZRVXVQATLRC-WHGOUJPWSA-N 1 0 308.256 1.530 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCCN2CCC(O)CC2)c1 ZINC000843061135 702810535 /nfs/dbraw/zinc/81/05/35/702810535.db2.gz AAJPSUNNQKQVQC-INIZCTEOSA-N 1 0 323.393 1.065 20 5 DDBDRO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CC[C@H]([NH3+])C1 ZINC000843346563 702863611 /nfs/dbraw/zinc/86/36/11/702863611.db2.gz OJEODOLGUZGSMP-IUCAKERBSA-N 1 0 312.757 1.608 20 5 DDBDRO C[C@H](CC[NH3+])NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000843455110 702885555 /nfs/dbraw/zinc/88/55/55/702885555.db2.gz IIWXAHUFZVNLFS-SSDOTTSWSA-N 1 0 303.721 1.783 20 5 DDBDRO C[N@@H+]1CCN(Cn2cc([N+](=O)[O-])cn2)[C@H](Cc2ccccc2)C1 ZINC000844740160 703066693 /nfs/dbraw/zinc/06/66/93/703066693.db2.gz INNXDEZEDNUMSC-OAHLLOKOSA-N 1 0 315.377 1.608 20 5 DDBDRO C[N@@H+]1CCN(Cn2nccc2[N+](=O)[O-])[C@H](Cc2ccccc2)C1 ZINC000844743491 703067415 /nfs/dbraw/zinc/06/74/15/703067415.db2.gz YMZBSWXSTSUGFG-OAHLLOKOSA-N 1 0 315.377 1.608 20 5 DDBDRO Cc1c(Cc2noc([C@H](N)CC[NH+](C)C)n2)cccc1[N+](=O)[O-] ZINC000844913739 703084066 /nfs/dbraw/zinc/08/40/66/703084066.db2.gz UMXMFXNNBQQZHA-GFCCVEGCSA-N 1 0 319.365 1.829 20 5 DDBDRO Cc1cc(-c2noc([C@@H](N)CC[NH+](C)C)n2)cc([N+](=O)[O-])c1 ZINC000844918762 703085241 /nfs/dbraw/zinc/08/52/41/703085241.db2.gz CYESHYDWQQSFQM-LBPRGKRZSA-N 1 0 305.338 1.905 20 5 DDBDRO C[N@@H+]1CC[C@H]2CN(CCOc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000879571939 706721923 /nfs/dbraw/zinc/72/19/23/706721923.db2.gz USADZQFHIBHPLU-XJKSGUPXSA-N 1 0 305.378 2.000 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(CCOc3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000879572790 706722763 /nfs/dbraw/zinc/72/27/63/706722763.db2.gz RIDSMFZWWURFQI-CJNGLKHVSA-N 1 0 305.378 2.000 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)OC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000845733413 703195126 /nfs/dbraw/zinc/19/51/26/703195126.db2.gz ALPHFQVZBXTRCS-GFCCVEGCSA-N 1 0 324.381 1.906 20 5 DDBDRO CN1C[C@H]([N@H+](C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCC1=O ZINC000846921016 703351937 /nfs/dbraw/zinc/35/19/37/703351937.db2.gz OHDNONXBUJAWFG-ZIAGYGMSSA-N 1 0 307.350 1.181 20 5 DDBDRO C[NH+](C)CCCS(=O)(=O)Oc1cc(Cl)ccc1[N+](=O)[O-] ZINC000866618163 706745188 /nfs/dbraw/zinc/74/51/88/706745188.db2.gz WKYOAJZLWVKVBM-UHFFFAOYSA-N 1 0 322.770 1.909 20 5 DDBDRO Nc1ccc(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000848350705 703541769 /nfs/dbraw/zinc/54/17/69/703541769.db2.gz SJYDPIRJNICHTI-KGLIPLIRSA-N 1 0 318.377 1.924 20 5 DDBDRO O=[N+]([O-])c1ccc2nc(N3CC[N@@H+]4C[C@H](O)C[C@H]4C3)sc2c1 ZINC000848766842 703586244 /nfs/dbraw/zinc/58/62/44/703586244.db2.gz ZVEAEZIEQDHGDF-WDEREUQCSA-N 1 0 320.374 1.460 20 5 DDBDRO COc1cc(CCNC2=[NH+]CCCN2C)c([N+](=O)[O-])cc1OC ZINC000849111346 703617483 /nfs/dbraw/zinc/61/74/83/703617483.db2.gz ZXXWJCFBCUKBEE-UHFFFAOYSA-N 1 0 322.365 1.436 20 5 DDBDRO CCO[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1NC)C[NH+](C)C ZINC000831731040 706764869 /nfs/dbraw/zinc/76/48/69/706764869.db2.gz KUANUFSGQQMAIB-LLVKDONJSA-N 1 0 324.381 1.333 20 5 DDBDRO CCO[C@@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)C[NH+](C)C ZINC000831746498 706769540 /nfs/dbraw/zinc/76/95/40/706769540.db2.gz YBEMWMASEHZMQW-AWEZNQCLSA-N 1 0 309.366 1.220 20 5 DDBDRO CCO[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1F)C[NH+](C)C ZINC000831756495 706772584 /nfs/dbraw/zinc/77/25/84/706772584.db2.gz ITNNHHFLAOAQAP-NSHDSACASA-N 1 0 313.329 1.430 20 5 DDBDRO Cc1c(C(=O)N2CC[C@@](C)(C[NH3+])C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000818594412 703933703 /nfs/dbraw/zinc/93/37/03/703933703.db2.gz OUYXGWHQSCVEJV-AWEZNQCLSA-N 1 0 322.321 1.622 20 5 DDBDRO O=C1C[C@H](C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CN1C1CC1 ZINC000819217487 704088760 /nfs/dbraw/zinc/08/87/60/704088760.db2.gz BMADLRAAUKBKRM-IAQYHMDHSA-N 1 0 319.361 1.229 20 5 DDBDRO C[C@@]1(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1(Cl)Cl ZINC000819346325 704110996 /nfs/dbraw/zinc/11/09/96/704110996.db2.gz FGJFBJDAPQAPJU-ZJUUUORDSA-N 1 0 323.180 1.326 20 5 DDBDRO C[NH2+]C[C@@H](C)NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000852923214 704173577 /nfs/dbraw/zinc/17/35/77/704173577.db2.gz AMFBBJWRSXUYAI-SSDOTTSWSA-N 1 0 303.721 1.654 20 5 DDBDRO C[NH+](C)C[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000853245050 704224011 /nfs/dbraw/zinc/22/40/11/704224011.db2.gz QMZAYERHQIOIGP-NSHDSACASA-N 1 0 306.366 1.472 20 5 DDBDRO CN(c1ccccc1)[C@@H]1CCN(Cn2cc([N+](=O)[O-])cn2)C1 ZINC000853585765 704276019 /nfs/dbraw/zinc/27/60/19/704276019.db2.gz SQLDILKXHRNFRW-CQSZACIVSA-N 1 0 301.350 1.960 20 5 DDBDRO O=[N+]([O-])c1ccc2c(cnn2C[N@@H+]2CC[C@@H]3COC[C@H]3C2)c1 ZINC000853586438 704276385 /nfs/dbraw/zinc/27/63/85/704276385.db2.gz RMQXRUCMLFGDFL-DGCLKSJQSA-N 1 0 302.334 1.870 20 5 DDBDRO C[C@H](CCNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2)[NH+](C)C ZINC000853798149 704316872 /nfs/dbraw/zinc/31/68/72/704316872.db2.gz CLFAMSRXWZVPRI-SECBINFHSA-N 1 0 308.338 1.678 20 5 DDBDRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000855286450 704477457 /nfs/dbraw/zinc/47/74/57/704477457.db2.gz RRSZOPWPJBLCJX-JTQLQIEISA-N 1 0 306.366 1.780 20 5 DDBDRO Cc1c(C(=O)NCC[C@H](C)[NH+](C)C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000855412207 704483770 /nfs/dbraw/zinc/48/37/70/704483770.db2.gz URTAILLLWTWUOR-VIFPVBQESA-N 1 0 324.337 1.881 20 5 DDBDRO CCN(C(=O)c1cc([N+](=O)[O-])cnc1N)[C@H]1CC[N@H+](CC)C1 ZINC000855491166 704487531 /nfs/dbraw/zinc/48/75/31/704487531.db2.gz PFVCDGSTDZZMED-JTQLQIEISA-N 1 0 307.354 1.128 20 5 DDBDRO C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000855733405 704499764 /nfs/dbraw/zinc/49/97/64/704499764.db2.gz SANVXIRGHJJKMT-BZUAXINKSA-N 1 0 317.389 1.427 20 5 DDBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857767259 704622662 /nfs/dbraw/zinc/62/26/62/704622662.db2.gz BCGOPJHOGUNSLR-DTWKUNHWSA-N 1 0 317.292 1.808 20 5 DDBDRO Cc1ccc(C)c(S(=O)(=O)N(C)C[C@H](C)[NH3+])c1[N+](=O)[O-] ZINC000858640563 704738556 /nfs/dbraw/zinc/73/85/56/704738556.db2.gz PIBZYNIRETUNCE-JTQLQIEISA-N 1 0 301.368 1.179 20 5 DDBDRO [NH3+]CCCOCCNC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000859686537 704974103 /nfs/dbraw/zinc/97/41/03/704974103.db2.gz UGUFCHZSYRPHFU-UHFFFAOYSA-N 1 0 316.745 1.735 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)cc1 ZINC000859888695 705031176 /nfs/dbraw/zinc/03/11/76/705031176.db2.gz JJPXQCLLLDAOGW-YSOBRWQISA-N 1 0 324.402 1.614 20 5 DDBDRO O=[N+]([O-])c1ccc(Cc2noc([C@@H]3C[C@]34CC[NH2+]C4)n2)nc1 ZINC000822862200 705063444 /nfs/dbraw/zinc/06/34/44/705063444.db2.gz ILPPFYHVCITXAH-FZMZJTMJSA-N 1 0 301.306 1.431 20 5 DDBDRO C[NH+](C)C1(CNC(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC000822932075 705085667 /nfs/dbraw/zinc/08/56/67/705085667.db2.gz RIYNAAPMPJZSAJ-KGLIPLIRSA-N 1 0 303.362 1.909 20 5 DDBDRO CNc1nccc(C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)c1[N+](=O)[O-] ZINC000874830010 705188179 /nfs/dbraw/zinc/18/81/79/705188179.db2.gz PRIKSHOALVPETQ-NEPJUHHUSA-N 1 0 319.365 1.340 20 5 DDBDRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000874850725 705203199 /nfs/dbraw/zinc/20/31/99/705203199.db2.gz WFPULLZBCUORJU-GJZGRUSLSA-N 1 0 303.362 1.832 20 5 DDBDRO CCn1nnc(C)c1CN(CC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000824382327 705441302 /nfs/dbraw/zinc/44/13/02/705441302.db2.gz ATXMHLVGKKFCNR-UHFFFAOYSA-N 1 0 304.354 1.480 20 5 DDBDRO C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000876591832 705773376 /nfs/dbraw/zinc/77/33/76/705773376.db2.gz AMGZPGBWPBAUCT-WLFHHNNMSA-N 1 0 303.362 1.965 20 5 DDBDRO Cc1cc(C(=O)NC[C@@H]2CCCC[N@@H+](C)C2)c(N)c([N+](=O)[O-])c1 ZINC000862792431 705799617 /nfs/dbraw/zinc/79/96/17/705799617.db2.gz VHPUCENWAHWFBS-LBPRGKRZSA-N 1 0 320.393 1.947 20 5 DDBDRO C[C@@H]([NH3+])CN(C)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000863566013 705959602 /nfs/dbraw/zinc/95/96/02/705959602.db2.gz AAPUYMBQICOVBO-BDAKNGLRSA-N 1 0 314.773 1.854 20 5 DDBDRO C[C@H]1CN(C2CC2)C[C@H]1[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877094607 705981423 /nfs/dbraw/zinc/98/14/23/705981423.db2.gz LBDFFLVIPTUFTA-NEGXKODNSA-N 1 0 305.382 1.567 20 5 DDBDRO C[C@@H]([NH3+])CN(C)C(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000877099321 705982947 /nfs/dbraw/zinc/98/29/47/705982947.db2.gz KENVHAPGGLFJFT-RKDXNWHRSA-N 1 0 315.757 1.821 20 5 DDBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877285561 706048630 /nfs/dbraw/zinc/04/86/30/706048630.db2.gz VHIXTQZJONHTKJ-OCCSQVGLSA-N 1 0 318.377 1.750 20 5 DDBDRO [NH3+]C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C(F)(F)F ZINC000877371639 706084277 /nfs/dbraw/zinc/08/42/77/706084277.db2.gz UKGKKUXWDFVBTI-KOLCDFICSA-N 1 0 317.267 1.804 20 5 DDBDRO CCOC(=O)N1CC[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000877401639 706096837 /nfs/dbraw/zinc/09/68/37/706096837.db2.gz KGEMMEAEDJENHF-CYBMUJFWSA-N 1 0 307.350 1.958 20 5 DDBDRO COc1ccc(C(=O)N[C@]23CCC[C@@H]2[NH2+]CC3)cc1[N+](=O)[O-] ZINC000877400573 706096924 /nfs/dbraw/zinc/09/69/24/706096924.db2.gz WVUYMQVRDBRHNG-ZFWWWQNUSA-N 1 0 305.334 1.618 20 5 DDBDRO CCN(C)C(=O)[C@@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)C(C)C ZINC000877563666 706143579 /nfs/dbraw/zinc/14/35/79/706143579.db2.gz QNWKOSNPUHRLSX-YIZWMMSDSA-N 1 0 323.397 1.587 20 5 DDBDRO COc1cccnc1C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877574922 706146588 /nfs/dbraw/zinc/14/65/88/706146588.db2.gz ZMVVFYHBJHMYIN-UHFFFAOYSA-N 1 0 303.322 1.688 20 5 DDBDRO CC(C)[C@H](O)CC[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000878694863 706471369 /nfs/dbraw/zinc/47/13/69/706471369.db2.gz BHAMQGCWWYTASB-CQSZACIVSA-N 1 0 308.382 1.519 20 5 DDBDRO O=[N+]([O-])c1cnn(CCNc2cc[nH+]cc2C(F)(F)F)c1 ZINC000865622745 706480202 /nfs/dbraw/zinc/48/02/02/706480202.db2.gz CTIVQLLEOXPRAB-UHFFFAOYSA-N 1 0 301.228 1.739 20 5 DDBDRO CONC(=O)C1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000879922719 706820892 /nfs/dbraw/zinc/82/08/92/706820892.db2.gz KBBRUPABACFVOX-UHFFFAOYSA-N 1 0 323.349 1.363 20 5 DDBDRO Cc1noc(CN2CCN(c3cc[nH+]cc3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000880258144 706922922 /nfs/dbraw/zinc/92/29/22/706922922.db2.gz CZDMSQXPHDLWOV-LLVKDONJSA-N 1 0 317.349 1.997 20 5 DDBDRO CC(=O)N1C[C@@H]2C[N@@H+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC000880311371 706937745 /nfs/dbraw/zinc/93/77/45/706937745.db2.gz DJAIWTWQMRPDDY-IJEWVQPXSA-N 1 0 319.361 1.038 20 5 DDBDRO CO[C@H]1COCC[C@H]1[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000880425588 706970418 /nfs/dbraw/zinc/97/04/18/706970418.db2.gz GHGPZRGPWFLYBM-DOMZBBRYSA-N 1 0 310.350 1.709 20 5 DDBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000832955076 706998561 /nfs/dbraw/zinc/99/85/61/706998561.db2.gz ZHVXLQBETNKYLX-DOMZBBRYSA-N 1 0 323.393 1.865 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC2(CC1)COCCO2 ZINC000880540513 707010240 /nfs/dbraw/zinc/01/02/40/707010240.db2.gz GNOOAESTANYESQ-UHFFFAOYSA-N 1 0 322.361 1.985 20 5 DDBDRO O=[N+]([O-])c1ccccc1OCC[NH+]1CCC2(CC1)COCCO2 ZINC000880542493 707011266 /nfs/dbraw/zinc/01/12/66/707011266.db2.gz DAACCOKDGHBPQW-UHFFFAOYSA-N 1 0 322.361 1.855 20 5 DDBDRO O=[N+]([O-])c1ccccc1C[N@H+]1C[C@H](O)CC2(CCOCC2)C1 ZINC000880584090 707027130 /nfs/dbraw/zinc/02/71/30/707027130.db2.gz DWHFYUYSASOAIF-CQSZACIVSA-N 1 0 306.362 1.958 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@H]3C[C@H](O)C3)CC2)cc1 ZINC000872126903 707298033 /nfs/dbraw/zinc/29/80/33/707298033.db2.gz SEPVNNMPLOJFIZ-YGUOUDRMSA-N 1 0 305.378 1.924 20 5 DDBDRO C[C@H]([NH2+][C@@H]1CCc2nnn(C)c2C1)c1ccc([N+](=O)[O-])cc1 ZINC000927143498 712946642 /nfs/dbraw/zinc/94/66/42/712946642.db2.gz AFUALGVBOWCQLE-CMPLNLGQSA-N 1 0 301.350 1.931 20 5 DDBDRO CC1(C)CC[NH2+]CCN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000872290908 707368090 /nfs/dbraw/zinc/36/80/90/707368090.db2.gz ILQWHTNYJTYTKC-UHFFFAOYSA-N 1 0 307.350 1.574 20 5 DDBDRO C[N@H+](CCOC(=O)Cn1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000837412502 707640346 /nfs/dbraw/zinc/64/03/46/707640346.db2.gz IGXNEXFRERKTFY-UHFFFAOYSA-N 1 0 318.333 1.467 20 5 DDBDRO CC[N@@H+]1CC[C@H]1CNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000882483476 707654116 /nfs/dbraw/zinc/65/41/16/707654116.db2.gz BGYXGWGPFYHXRA-ZDUSSCGKSA-N 1 0 317.349 1.155 20 5 DDBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000882484461 707654832 /nfs/dbraw/zinc/65/48/32/707654832.db2.gz DCSSWWHBBJYKOF-LLVKDONJSA-N 1 0 323.349 1.193 20 5 DDBDRO CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000882492889 707663360 /nfs/dbraw/zinc/66/33/60/707663360.db2.gz CPQYDFHWOJCGNZ-SOUVJXGZSA-N 1 0 303.362 1.909 20 5 DDBDRO [NH3+]CCN(CCOc1cccc([N+](=O)[O-])c1)CC(F)(F)F ZINC000883445038 708003818 /nfs/dbraw/zinc/00/38/18/708003818.db2.gz DGODTLKDVJMSLP-UHFFFAOYSA-N 1 0 307.272 1.797 20 5 DDBDRO CO[C@@H]1COC[C@@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000839192094 708034434 /nfs/dbraw/zinc/03/44/34/708034434.db2.gz IKKLTFWOOCLGLV-JKSUJKDBSA-N 1 0 321.377 1.567 20 5 DDBDRO COCC[C@@H]([NH3+])C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000884101275 708139092 /nfs/dbraw/zinc/13/90/92/708139092.db2.gz STINQADMFGPVGA-CQSZACIVSA-N 1 0 309.366 1.696 20 5 DDBDRO C[NH2+][C@@H](CC(C)C)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000884323520 708244652 /nfs/dbraw/zinc/24/46/52/708244652.db2.gz RBWZGWWROPCAAN-ZDUSSCGKSA-N 1 0 323.397 1.589 20 5 DDBDRO CC(=O)NCC[C@@H]1CCC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886207576 708714873 /nfs/dbraw/zinc/71/48/73/708714873.db2.gz GNZGGQIPUCGZPH-ZDUSSCGKSA-N 1 0 306.366 1.728 20 5 DDBDRO C[C@@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000912649891 713060498 /nfs/dbraw/zinc/06/04/98/713060498.db2.gz FKZMUGKROZACKO-MNOVXSKESA-N 1 0 309.370 1.653 20 5 DDBDRO O=[N+]([O-])c1ncccc1Cn1cc(C[C@H]2CCC[NH2+]C2)nn1 ZINC000887462986 709048707 /nfs/dbraw/zinc/04/87/07/709048707.db2.gz LLVJTSMIQNOFND-LLVKDONJSA-N 1 0 302.338 1.172 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)N2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)c1[N+](=O)[O-] ZINC000887930411 709168284 /nfs/dbraw/zinc/16/82/84/709168284.db2.gz HQQALZDXIMKLKN-ZUZCIYMTSA-N 1 0 321.381 1.465 20 5 DDBDRO C[C@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000912806428 713097802 /nfs/dbraw/zinc/09/78/02/713097802.db2.gz FKHCKMXESGYAPO-ZYHUDNBSSA-N 1 0 309.370 1.510 20 5 DDBDRO COc1c(C(=O)N2CC[C@@H]([NH+]3CCC3)C2)cccc1[N+](=O)[O-] ZINC000912910575 713121740 /nfs/dbraw/zinc/12/17/40/713121740.db2.gz ZUUUYEZWXYQGDM-LLVKDONJSA-N 1 0 305.334 1.524 20 5 DDBDRO Cc1ccccc1C[NH+]1CCN(c2c([N+](=O)[O-])cnn2C)CC1 ZINC000891531409 710228771 /nfs/dbraw/zinc/22/87/71/710228771.db2.gz HQYQFMBJPHGSGK-UHFFFAOYSA-N 1 0 315.377 1.959 20 5 DDBDRO COc1c(O)ccc(CN2CC[NH+](C(C)C)CC2)c1[N+](=O)[O-] ZINC000891572966 710238793 /nfs/dbraw/zinc/23/87/93/710238793.db2.gz JOZATIIDBYGVBR-UHFFFAOYSA-N 1 0 309.366 1.835 20 5 DDBDRO COc1cc([N+](=O)[O-])cnc1NC1CCN(CC[NH+](C)C)CC1 ZINC000891783329 710294041 /nfs/dbraw/zinc/29/40/41/710294041.db2.gz DRWGTASJJQSDLR-UHFFFAOYSA-N 1 0 323.397 1.436 20 5 DDBDRO CCN1CC[NH+](C[C@H](C)CNc2c([N+](=O)[O-])cnn2C)CC1 ZINC000891897638 710321400 /nfs/dbraw/zinc/32/14/00/710321400.db2.gz MFQKDOIZHORZBC-GFCCVEGCSA-N 1 0 310.402 1.014 20 5 DDBDRO COc1cc([N+](=O)[O-])cnc1N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000892637744 710473890 /nfs/dbraw/zinc/47/38/90/710473890.db2.gz QFVFTWFOSWZKQJ-GFCCVEGCSA-N 1 0 306.366 1.921 20 5 DDBDRO Cc1n[nH]c(C(=O)N2C[C@]3(C)C[NH+](C)C[C@@]3(C)C2)c1[N+](=O)[O-] ZINC000913289229 713192488 /nfs/dbraw/zinc/19/24/88/713192488.db2.gz KJYHKQKYNAOAOR-KBPBESRZSA-N 1 0 307.354 1.040 20 5 DDBDRO C[C@@H]1C[N@H+](CCCOC(=O)CCC(C)(C)[N+](=O)[O-])CCO1 ZINC000893386502 710628264 /nfs/dbraw/zinc/62/82/64/710628264.db2.gz VIFYRYXUALODBZ-GFCCVEGCSA-N 1 0 302.371 1.476 20 5 DDBDRO C[C@@H]1[C@H](NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC[N@@H+]1C ZINC000928444033 713198436 /nfs/dbraw/zinc/19/84/36/713198436.db2.gz IJXRACWCVXEBRK-BXKDBHETSA-N 1 0 311.313 1.322 20 5 DDBDRO CC[NH+]1CCC(NC(=O)COc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000902308208 710708935 /nfs/dbraw/zinc/70/89/35/710708935.db2.gz BFTKODNRXHIOLK-UHFFFAOYSA-N 1 0 321.377 1.883 20 5 DDBDRO COc1c(O)ccc(CN2C[C@H](C)[N@H+](C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000893668093 710769756 /nfs/dbraw/zinc/76/97/56/710769756.db2.gz CXBDJEYSERJQBN-QWRGUYRKSA-N 1 0 309.366 1.833 20 5 DDBDRO COc1cc([C@@H](C)NC[C@@]2(O)CC[N@H+](C)C2)cc([N+](=O)[O-])c1 ZINC000903154145 711049604 /nfs/dbraw/zinc/04/96/04/711049604.db2.gz TVNDCMKFHJZYMU-ABAIWWIYSA-N 1 0 309.366 1.321 20 5 DDBDRO CC[C@H]([NH2+]C[C@@]1(CO)COCCN1C)c1cccc([N+](=O)[O-])c1 ZINC000903277675 711084823 /nfs/dbraw/zinc/08/48/23/711084823.db2.gz BVFPSFZSRCQAMQ-JKSUJKDBSA-N 1 0 323.393 1.329 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@H]1CC[NH2+]C12CCC2 ZINC000903466120 711135671 /nfs/dbraw/zinc/13/56/71/711135671.db2.gz PWHMTQOLEBKTQW-ZDUSSCGKSA-N 1 0 318.377 1.716 20 5 DDBDRO [NH3+][C@H]1CN(CCn2cc([N+](=O)[O-])cn2)CC[C@@H]1C(F)(F)F ZINC000903540062 711178918 /nfs/dbraw/zinc/17/89/18/711178918.db2.gz MEYFLMSUYCEWBX-UWVGGRQHSA-N 1 0 307.276 1.003 20 5 DDBDRO COC(=O)/C=C\c1ccc(NC[C@@H]2CC[N@@H+]2C)c([N+](=O)[O-])c1 ZINC000895777741 711604142 /nfs/dbraw/zinc/60/41/42/711604142.db2.gz WVGVSDPGOHAWBY-RNZFLTOJSA-N 1 0 305.334 1.897 20 5 DDBDRO CCO[C@@H](CNc1ccnc2ccc([N+](=O)[O-])cc21)C[NH+](C)C ZINC000896108558 711677362 /nfs/dbraw/zinc/67/73/62/711677362.db2.gz HGGZXSWOOYCAKC-ZDUSSCGKSA-N 1 0 318.377 1.944 20 5 DDBDRO COCC[N@@H+]1CC[C@@H](NC(=O)c2c(C)c(C)ccc2[N+](=O)[O-])C1 ZINC000896257517 711697331 /nfs/dbraw/zinc/69/73/31/711697331.db2.gz GSUBNGXWRSUAPB-CYBMUJFWSA-N 1 0 321.377 1.662 20 5 DDBDRO Cc1ccnc(NC[C@@H]2CC[N@@H+]2C2CCOCC2)c1[N+](=O)[O-] ZINC000896517476 711736749 /nfs/dbraw/zinc/73/67/49/711736749.db2.gz GLBDMMNOEJRXKV-ZDUSSCGKSA-N 1 0 306.366 1.963 20 5 DDBDRO Cc1nc(NC[C@H]2CC[N@@H+]2C2CCOCC2)ccc1[N+](=O)[O-] ZINC000896521178 711737605 /nfs/dbraw/zinc/73/76/05/711737605.db2.gz HQQRYKYSNLDYGH-CYBMUJFWSA-N 1 0 306.366 1.963 20 5 DDBDRO O=[N+]([O-])CC[NH2+]CCc1ccc(I)cc1 ZINC000905381210 712022068 /nfs/dbraw/zinc/02/20/68/712022068.db2.gz MKYAXPCZVRLVMB-UHFFFAOYSA-N 1 0 320.130 1.700 20 5 DDBDRO C[C@@H]([NH2+]CC[N+](=O)[O-])C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000905409259 712030515 /nfs/dbraw/zinc/03/05/15/712030515.db2.gz ONISQGKGRITKJJ-LLVKDONJSA-N 1 0 301.387 1.888 20 5 DDBDRO CC1(C)C[C@@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCS1 ZINC000905662446 712110487 /nfs/dbraw/zinc/11/04/87/712110487.db2.gz JNMHYRZBIMIJBJ-CMPLNLGQSA-N 1 0 314.411 1.416 20 5 DDBDRO C[C@H](NC(=O)C1CN(C)CC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000906318150 712296507 /nfs/dbraw/zinc/29/65/07/712296507.db2.gz UVNWDEGJQSJJQY-LBPRGKRZSA-N 1 0 320.393 1.265 20 5 DDBDRO O=[N+]([O-])c1cccc(N2CCN(CC[NH+]3CCCC3)CC2)c1 ZINC000917007241 713477697 /nfs/dbraw/zinc/47/76/97/713477697.db2.gz SOTIQKSPUBTLMP-UHFFFAOYSA-N 1 0 304.394 1.813 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)NCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000917532780 713502549 /nfs/dbraw/zinc/50/25/49/713502549.db2.gz RPXMSWNRROTOAF-UHFFFAOYSA-N 1 0 322.321 1.637 20 5 DDBDRO C[C@@H]1[C@H](NC(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000917789285 713513908 /nfs/dbraw/zinc/51/39/08/713513908.db2.gz MLOUYNZUJNVMGO-BXUZGUMPSA-N 1 0 322.365 1.365 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)[C@@H](CO)[NH2+]CC2(O)CCCCC2)cc1 ZINC000920088567 713650534 /nfs/dbraw/zinc/65/05/34/713650534.db2.gz IBFHCLLUSJYKEU-CABCVRRESA-N 1 0 324.377 1.274 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2nccc3c2CCCC3)c1 ZINC000921861282 713888353 /nfs/dbraw/zinc/88/83/53/713888353.db2.gz HXPVTNZHQGNFFZ-UHFFFAOYSA-N 1 0 301.350 1.855 20 5 DDBDRO COc1ccc(C[NH2+]C[C@H]2C[C@@H]3COC[C@@H]3O2)cc1[N+](=O)[O-] ZINC000922726733 714129069 /nfs/dbraw/zinc/12/90/69/714129069.db2.gz YGNRNJSUFYOCRQ-JMSVASOKSA-N 1 0 308.334 1.497 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H]1CCc2nnn(C)c2C1 ZINC000922992448 714206568 /nfs/dbraw/zinc/20/65/68/714206568.db2.gz PRRAKYAROWDGCF-GFCCVEGCSA-N 1 0 315.377 1.987 20 5 DDBDRO Cn1ccc([C@@H]2CCC[N@H+](CCn3cc([N+](=O)[O-])cn3)C2)n1 ZINC000932133028 714267743 /nfs/dbraw/zinc/26/77/43/714267743.db2.gz NRKFHUUPRUPKFJ-GFCCVEGCSA-N 1 0 304.354 1.404 20 5 DDBDRO C[C@@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCCO1 ZINC000932180667 714280467 /nfs/dbraw/zinc/28/04/67/714280467.db2.gz BUQUVXZLYLVNBI-LALPHHSUSA-N 1 0 321.377 1.929 20 5 DDBDRO C[C@@H]1C[NH2+]C[C@H](C)N1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000923335051 714318890 /nfs/dbraw/zinc/31/88/90/714318890.db2.gz ZZOPXIROPLDNSP-SCRDCRAPSA-N 1 0 309.366 1.017 20 5 DDBDRO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000923371046 714331736 /nfs/dbraw/zinc/33/17/36/714331736.db2.gz URIYHHQVQCWIBF-FOCJUVANSA-N 1 0 323.393 1.311 20 5 DDBDRO C[C@@H]([NH2+][C@H]1C(=O)NCC12CCOCC2)c1cccc([N+](=O)[O-])c1 ZINC000933038710 714505847 /nfs/dbraw/zinc/50/58/47/714505847.db2.gz HAAPZPVCCVYPRC-RISCZKNCSA-N 1 0 319.361 1.541 20 5 DDBDRO C[C@]12C[N@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC000933707303 714652507 /nfs/dbraw/zinc/65/25/07/714652507.db2.gz YCSRAVJDXLUOAI-QVKMIARZSA-N 1 0 318.377 1.296 20 5 DDBDRO C[N@@H+]1CC[C@H]1CNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000925419971 714850308 /nfs/dbraw/zinc/85/03/08/714850308.db2.gz RTXDAHNQVXYQJK-HNNXBMFYSA-N 1 0 318.377 1.973 20 5 DDBDRO CC(C)(C)[NH2+]CCC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000935584107 715093711 /nfs/dbraw/zinc/09/37/11/715093711.db2.gz JBCWIOQXQYFQAZ-UHFFFAOYSA-N 1 0 321.377 1.963 20 5 DDBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001164768838 721292243 /nfs/dbraw/zinc/29/22/43/721292243.db2.gz HWHTUEZVTIVJIJ-UHFFFAOYSA-N 1 0 318.377 1.459 20 5 DDBDRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1ncc([N+](=O)[O-])cc1F ZINC001164930429 721858865 /nfs/dbraw/zinc/85/88/65/721858865.db2.gz RWYUQDGNAVTDLZ-KGLIPLIRSA-N 1 0 323.372 1.344 20 5 DDBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)c1ncc[nH]1 ZINC001022056727 734364821 /nfs/dbraw/zinc/36/48/21/734364821.db2.gz JSBYEHFALNUKHQ-TXEJJXNPSA-N 1 0 315.333 1.369 20 5 DDBDRO O=C(N[C@H]1C[C@@H]([NH2+]CC2CCC3(CC3)CC2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001022063394 734368754 /nfs/dbraw/zinc/36/87/54/734368754.db2.gz ALERMNFYCMSRFS-LXTVHRRPSA-N 1 0 321.421 1.859 20 5 DDBDRO Cn1ccc(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)c1 ZINC001125659302 735032518 /nfs/dbraw/zinc/03/25/18/735032518.db2.gz SJWFZJGPDNNVAK-UHFFFAOYSA-N 1 0 302.334 1.453 20 5 DDBDRO COc1nc(C)nc(-n2nc(C[NH3+])c3ccccc32)c1[N+](=O)[O-] ZINC001167696392 736267949 /nfs/dbraw/zinc/26/79/49/736267949.db2.gz ZEJTXQKOAJDUMG-UHFFFAOYSA-N 1 0 314.305 1.499 20 5 DDBDRO O=C(N[C@@H]1[C@H]2C[N@H+](CCCC3CCCC3)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025775753 736853241 /nfs/dbraw/zinc/85/32/41/736853241.db2.gz MBGYBBTYKFYVER-LJIZCISZSA-N 1 0 321.421 1.668 20 5 DDBDRO O=C(NCC[NH2+]Cc1ccccc1OC1CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126936885 742844496 /nfs/dbraw/zinc/84/44/96/742844496.db2.gz WAVQAOLMWBKKQA-ZIAGYGMSSA-N 1 0 319.361 1.099 20 5 DDBDRO CN(CCOCC[NH3+])C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000698971931 744881489 /nfs/dbraw/zinc/88/14/89/744881489.db2.gz RIVHDVQOYALWRX-UHFFFAOYSA-N 1 0 301.730 1.296 20 5 DDBDRO COc1ccc([N+](=O)[O-])nc1NCC1(N2CCCC2)COC1 ZINC001168444930 744963880 /nfs/dbraw/zinc/96/38/80/744963880.db2.gz MZPCKGURWPVSGB-UHFFFAOYSA-N 1 0 308.338 1.275 20 5 DDBDRO C[NH+]1CCN(C(=[NH2+])Nc2nc3c(cc2[N+](=O)[O-])CCCC3)CC1 ZINC001168735875 748437698 /nfs/dbraw/zinc/43/76/98/748437698.db2.gz VCHNJSOQWAVLDP-UHFFFAOYSA-N 1 0 318.381 1.463 20 5 DDBDRO CC[N@H+](C)CCC(=O)NC/C=C/CNc1ccc([N+](=O)[O-])cn1 ZINC001107321686 749799441 /nfs/dbraw/zinc/79/94/41/749799441.db2.gz JEZCSSBEIIXLJQ-SNAWJCMRSA-N 1 0 321.381 1.416 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(NC/C=C/CNC(=O)CC[NH+](C)C)n1 ZINC001107489884 750045200 /nfs/dbraw/zinc/04/52/00/750045200.db2.gz LLQGWXDKZDHCHW-SNAWJCMRSA-N 1 0 321.381 1.334 20 5 DDBDRO CN1Cc2cc(-n3cc4c(n3)CC[C@H]([NH3+])C4)cc([N+](=O)[O-])c2N1 ZINC001168817043 762028795 /nfs/dbraw/zinc/02/87/95/762028795.db2.gz APPOVTWQODMDTD-NSHDSACASA-N 1 0 314.349 1.369 20 5 DDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(C[NH2+]CC2=CCCCC2)CC1 ZINC000997772680 751269682 /nfs/dbraw/zinc/26/96/82/751269682.db2.gz QCLWHLLYFBDSMZ-HZPDHXFCSA-N 1 0 321.421 1.980 20 5 DDBDRO O=C(c1ccncc1)N1CC[C@@H]([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168994104 762167501 /nfs/dbraw/zinc/16/75/01/762167501.db2.gz PFTKVRYYCWFMOX-AEGPPILISA-N 1 0 318.377 1.331 20 5 DDBDRO COC(=O)C[C@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccccn1 ZINC001168996535 762168764 /nfs/dbraw/zinc/16/87/64/762168764.db2.gz VOYNGRVKLICQBV-OBJOEFQTSA-N 1 0 307.350 1.721 20 5 DDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2ccnn2CC(F)(F)F)C1 ZINC001168998140 762169704 /nfs/dbraw/zinc/16/97/04/762169704.db2.gz ISDQLMWMVMFHGJ-UWVGGRQHSA-N 1 0 306.288 1.980 20 5 DDBDRO Cc1ccc(N2CC[NH+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)nc1 ZINC001169037231 762192700 /nfs/dbraw/zinc/19/27/00/762192700.db2.gz RGWNCWDKZKFRIK-CABCVRRESA-N 1 0 304.394 1.957 20 5 DDBDRO CCOC[C@@H]1CN([C@H]2CC[C@H](C[N+](=O)[O-])C2)Cc2ncn(C)c21 ZINC001169017581 762198120 /nfs/dbraw/zinc/19/81/20/762198120.db2.gz AQTYZTMBLRVMQE-IHRRRGAJSA-N 1 0 322.409 1.801 20 5 DDBDRO O=C([C@@H]1CCC[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1)N1CCCC1 ZINC001169022487 762201066 /nfs/dbraw/zinc/20/10/66/762201066.db2.gz CEVKWGRZQQAQID-KFWWJZLASA-N 1 0 309.410 1.766 20 5 DDBDRO CCOCc1nnn2c1C[N@@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)CCC2 ZINC001169024846 762202471 /nfs/dbraw/zinc/20/24/71/762202471.db2.gz RNRAIWWWUDDCGA-OLZOCXBDSA-N 1 0 323.397 1.466 20 5 DDBDRO Cc1ccnc(O[C@@H]2CC[N@@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C2)n1 ZINC001169052441 762206937 /nfs/dbraw/zinc/20/69/37/762206937.db2.gz FXQUKIUJJHCXMG-BFHYXJOUSA-N 1 0 306.366 1.684 20 5 DDBDRO CCOC(=O)c1cnc(-n2ccc([C@H](C)[NH3+])n2)c([N+](=O)[O-])c1 ZINC001169228109 762289889 /nfs/dbraw/zinc/28/98/89/762289889.db2.gz MSSLXIFCINMBMB-QMMMGPOBSA-N 1 0 305.294 1.372 20 5 DDBDRO [NH3+]CCc1cn(-c2cc([N+](=O)[O-])c3nncn3c2)c2cccnc12 ZINC001169710256 762615138 /nfs/dbraw/zinc/61/51/38/762615138.db2.gz HHTFMKSRXDLHDQ-UHFFFAOYSA-N 1 0 323.316 1.478 20 5 DDBDRO O=C(NCc1ccc2c(c1)C[N@@H+](CC1CC1)C2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001054264692 759369837 /nfs/dbraw/zinc/36/98/37/759369837.db2.gz OXBNPFMDSKRKAU-HZPDHXFCSA-N 1 0 315.373 1.694 20 5 DDBDRO CN(CCCNc1ncccc1[N+](=O)[O-])C(=O)CC[NH+](C)C ZINC001109616841 763881526 /nfs/dbraw/zinc/88/15/26/763881526.db2.gz PZDBNACIMYOCEW-UHFFFAOYSA-N 1 0 309.370 1.202 20 5 DDBDRO COc1ccc(C[C@H](C)[NH2+]C[C@H]2CCNC(=O)C2)c([N+](=O)[O-])c1 ZINC001170299761 766228599 /nfs/dbraw/zinc/22/85/99/766228599.db2.gz WLWONTQNMPIPMX-RYUDHWBXSA-N 1 0 321.377 1.650 20 5 DDBDRO [NH3+]CCOCCOCCNc1nccc2c1cccc2[N+](=O)[O-] ZINC001170505944 767628846 /nfs/dbraw/zinc/62/88/46/767628846.db2.gz VETFWYKCZDIZPN-UHFFFAOYSA-N 1 0 320.349 1.547 20 5 DDBDRO O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)[C@H]1C[C@H]2C[C@H]2C1 ZINC001132679363 769088628 /nfs/dbraw/zinc/08/86/28/769088628.db2.gz YQROSHSETBKRPD-GDNZZTSVSA-N 1 0 309.391 1.908 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(N[C@H]2C[C@H](NC(=O)CC[NH+](C)C)C2)n1 ZINC001097095766 771621929 /nfs/dbraw/zinc/62/19/29/771621929.db2.gz CZGDHGJXNQQMIW-HAQNSBGRSA-N 1 0 321.381 1.309 20 5 DDBDRO COc1cc(C(=O)NC[C@@H]2CC[N@H+](C)C2)c([N+](=O)[O-])cc1F ZINC001136342059 771942294 /nfs/dbraw/zinc/94/22/94/771942294.db2.gz BPLGQPXBJKAXBL-VIFPVBQESA-N 1 0 311.313 1.424 20 5 DDBDRO COc1cc(N2c3ccccc3OC[C@H]2C[NH3+])cnc1[N+](=O)[O-] ZINC001171392807 774366333 /nfs/dbraw/zinc/36/63/33/774366333.db2.gz GPTNSVNMMARKAU-LLVKDONJSA-N 1 0 316.317 1.856 20 5 DDBDRO CCC[N@H+](C)CC(=O)NCCNc1cccc(F)c1[N+](=O)[O-] ZINC001093788039 775079605 /nfs/dbraw/zinc/07/96/05/775079605.db2.gz UGBYLSWBLVSWQC-UHFFFAOYSA-N 1 0 312.345 1.604 20 5 DDBDRO Cc1cnc(N(C)CCNC(=O)C[N@@H+](C)C(C)C)c([N+](=O)[O-])c1 ZINC001100149918 775735804 /nfs/dbraw/zinc/73/58/04/775735804.db2.gz VOPUTGUCGYHJKJ-UHFFFAOYSA-N 1 0 323.397 1.191 20 5 DDBDRO Cc1cc(NCCCNC(=O)C[N@@H+](C)C(C)C)ncc1[N+](=O)[O-] ZINC001094456774 775895309 /nfs/dbraw/zinc/89/53/09/775895309.db2.gz QVYXQTGYYXARNT-UHFFFAOYSA-N 1 0 323.397 1.557 20 5 DDBDRO CC[N@H+](C)CCC(=O)NCCCNc1nccc(C)c1[N+](=O)[O-] ZINC001094573755 776048341 /nfs/dbraw/zinc/04/83/41/776048341.db2.gz GEEVEZIRRWHUBH-UHFFFAOYSA-N 1 0 323.397 1.558 20 5 DDBDRO CCN(CCNC(=O)CCC[NH+](C)C)c1ccc([N+](=O)[O-])cn1 ZINC001100707130 776457067 /nfs/dbraw/zinc/45/70/67/776457067.db2.gz PHWAPXOHSJEVGI-UHFFFAOYSA-N 1 0 323.397 1.274 20 5 DDBDRO C[N@@H+]1CC[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3N)CC[C@H]21 ZINC001171815427 776482749 /nfs/dbraw/zinc/48/27/49/776482749.db2.gz VUEBVRQGQAEVSM-IINYFYTJSA-N 1 0 304.350 1.343 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]CCn1cncn1)CC2 ZINC001172901588 776916101 /nfs/dbraw/zinc/91/61/01/776916101.db2.gz OCFLSVXFSCSLPJ-AWEZNQCLSA-N 1 0 301.350 1.724 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@H]2CNC(=O)C2)c1F ZINC001173193734 777037214 /nfs/dbraw/zinc/03/72/14/777037214.db2.gz WNERCXYGXCGZHM-RKDXNWHRSA-N 1 0 311.313 1.152 20 5 DDBDRO CCOC(=O)[C@H](CCC[NH3+])N[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173218903 777050841 /nfs/dbraw/zinc/05/08/41/777050841.db2.gz SSTWJTCJBHHGSO-WFASDCNBSA-N 1 0 323.393 1.786 20 5 DDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCN2C(=O)COC[C@@H]2C1 ZINC001173235013 777065304 /nfs/dbraw/zinc/06/53/04/777065304.db2.gz VRLCJZFGPUTVIN-DOMZBBRYSA-N 1 0 319.361 1.069 20 5 DDBDRO CN(CCNc1ncccc1[N+](=O)[O-])C(=O)CCCC[NH+](C)C ZINC001101709301 777420979 /nfs/dbraw/zinc/42/09/79/777420979.db2.gz ZZXPOUILJYQGFO-UHFFFAOYSA-N 1 0 323.397 1.592 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)CN2CCN3C[C@@H](F)C[C@H]3C2)cc1 ZINC001176778474 778235583 /nfs/dbraw/zinc/23/55/83/778235583.db2.gz VNKUXGPAFFOHOV-AEGPPILISA-N 1 0 309.341 1.356 20 5 DDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC001116230212 780487228 /nfs/dbraw/zinc/48/72/28/780487228.db2.gz URPUVMHRCBKOMS-WDEREUQCSA-N 1 0 318.377 1.992 20 5 DDBDRO CN(CC[NH2+]C/C=C/c1ccccc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001267371839 837933287 /nfs/dbraw/zinc/93/32/87/837933287.db2.gz XBMHNGDKYFJHJK-VZLFFANISA-N 1 0 303.362 1.413 20 5 DDBDRO CC(C)(O)CC(=O)NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001269407094 841614112 /nfs/dbraw/zinc/61/41/12/841614112.db2.gz FBYNTWNOYWIKME-UHFFFAOYSA-N 1 0 321.377 1.494 20 5 DDBDRO O=C(NCCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1ccn[nH]1 ZINC001154885774 861538221 /nfs/dbraw/zinc/53/82/21/861538221.db2.gz DWHBEXVQZZQTHX-UHFFFAOYSA-N 1 0 309.351 1.289 20 5 DDBDRO C[NH+](C)C[C@H]1COCCN1c1ccc2[nH]cc([N+](=O)[O-])c2n1 ZINC001154979085 861619052 /nfs/dbraw/zinc/61/90/52/861619052.db2.gz WKXSOTSVBDMUKH-JTQLQIEISA-N 1 0 305.338 1.238 20 5 DDBDRO CCOC1(OCC)CC[NH2+]C[C@H]1Nc1cccc([N+](=O)[O-])n1 ZINC001155227752 861871167 /nfs/dbraw/zinc/87/11/67/861871167.db2.gz RSQPETYCKRMXLC-LLVKDONJSA-N 1 0 310.354 1.533 20 5 DDBDRO O=[N+]([O-])c1cnc(Cl)nc1NCC[C@H]1CCOC12C[NH2+]C2 ZINC001155471369 862124985 /nfs/dbraw/zinc/12/49/85/862124985.db2.gz QMMJMNDFQLQDHJ-QMMMGPOBSA-N 1 0 313.745 1.219 20 5 DDBDRO CC(C)Oc1nc(NC[C@]23C[NH2+]C[C@H]2COC3)ccc1[N+](=O)[O-] ZINC001155514369 862178948 /nfs/dbraw/zinc/17/89/48/862178948.db2.gz FODWNQKJBHGKID-NHYWBVRUSA-N 1 0 322.365 1.425 20 5 DDBDRO O=[N+]([O-])c1cc[n+]([O-])c(N[C@@H]2CC[NH2+][C@H]2c2ccccc2)c1 ZINC001155548940 862217752 /nfs/dbraw/zinc/21/77/52/862217752.db2.gz ISOVTKWJZBBSHG-HIFRSBDPSA-N 1 0 300.318 1.743 20 5 DDBDRO O=C1C[C@@H]2[NH2+]CC[C@]2(Nc2nccc3ccc([N+](=O)[O-])cc32)N1 ZINC001155573991 862244182 /nfs/dbraw/zinc/24/41/82/862244182.db2.gz DCFDSGHIEFPWCT-SWLSCSKDSA-N 1 0 313.317 1.133 20 5 DDBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001155590851 862264296 /nfs/dbraw/zinc/26/42/96/862264296.db2.gz FJHTVOGOVBQXPC-DOMZBBRYSA-N 1 0 306.366 1.869 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])c(N[C@@H]2CCO[C@@]3(CC[NH2+]C3)C2)n1 ZINC001155623636 862307535 /nfs/dbraw/zinc/30/75/35/862307535.db2.gz UGAWNJKPNUCEDZ-DOMZBBRYSA-N 1 0 306.366 1.930 20 5 DDBDRO C[NH+](C)C1CN(c2ncnc3c(Cl)cc([N+](=O)[O-])cc32)C1 ZINC001327689817 862388522 /nfs/dbraw/zinc/38/85/22/862388522.db2.gz XUTIPAPCBLAHDE-UHFFFAOYSA-N 1 0 307.741 1.942 20 5 DDBDRO Cc1nc(N2CC[NH2+]C[C@H]2c2cccs2)ncc1[N+](=O)[O-] ZINC001156119465 862735681 /nfs/dbraw/zinc/73/56/81/862735681.db2.gz BGPSVVWSOZPROC-NSHDSACASA-N 1 0 305.363 1.906 20 5 DDBDRO CNc1ccc(C(=O)NC[C@]23CCC[C@H]2[NH2+]CC3)cc1[N+](=O)[O-] ZINC001122281909 858737839 /nfs/dbraw/zinc/73/78/39/858737839.db2.gz SQHPEWOIIJVCIN-GDBMZVCRSA-N 1 0 318.377 1.899 20 5 DDBDRO Cc1noc(C)c1C(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001123363499 859194756 /nfs/dbraw/zinc/19/47/56/859194756.db2.gz JWDBJYSISFVGJP-UHFFFAOYSA-N 1 0 318.333 1.719 20 5 DDBDRO Cc1ccc(C(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)n1C ZINC001123491441 859256164 /nfs/dbraw/zinc/25/61/64/859256164.db2.gz FFXGQIOQYZNYDE-UHFFFAOYSA-N 1 0 322.390 1.823 20 5 DDBDRO C[C@H](NC(=O)[C@@H]1C[N@@H+]2CCN1C[C@H]2C)c1ccc([N+](=O)[O-])cc1 ZINC001124020493 859529838 /nfs/dbraw/zinc/52/98/38/859529838.db2.gz OOAJUAZQBRSMDJ-XUJVJEKNSA-N 1 0 318.377 1.160 20 5 DDBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C1=COCCC1 ZINC001124656715 859770934 /nfs/dbraw/zinc/77/09/34/859770934.db2.gz WJXWFYULEVCHEJ-UHFFFAOYSA-N 1 0 305.334 1.495 20 5 DDBDRO [NH3+][C@H]1CCCC[C@@H]1C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC001325854962 860890053 /nfs/dbraw/zinc/89/00/53/860890053.db2.gz APUFUQDGOXQLGQ-STQMWFEESA-N 1 0 321.381 1.472 20 5 DDBDRO [NH3+][C@@]12CCC[C@@H]1CN(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C2 ZINC001328588082 863090435 /nfs/dbraw/zinc/09/04/35/863090435.db2.gz FBSLXRDKTBLHFL-QMTHXVAHSA-N 1 0 320.305 1.456 20 5 DDBDRO [NH3+]CCc1nnn(-c2nc3ccccc3c(Cl)c2[N+](=O)[O-])n1 ZINC001156984907 863499277 /nfs/dbraw/zinc/49/92/77/863499277.db2.gz ONQDGOVIYJGFEH-UHFFFAOYSA-N 1 0 319.712 1.273 20 5 DDBDRO Cc1nc(C(=O)NCCC[NH2+]Cc2ccccc2[N+](=O)[O-])co1 ZINC001157018578 863520171 /nfs/dbraw/zinc/52/01/71/863520171.db2.gz ULOWMBZZIYGRMM-UHFFFAOYSA-N 1 0 318.333 1.801 20 5 DDBDRO [NH3+]Cc1cnn(C(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)c1 ZINC001157471860 863843963 /nfs/dbraw/zinc/84/39/63/863843963.db2.gz OKIWVYVXYRRNQU-UHFFFAOYSA-N 1 0 303.656 1.896 20 5 DDBDRO C[C@@H]1[C@@H]([NH3+])CCCN1c1cc(/C=C/N(C)C)c([N+](=O)[O-])cn1 ZINC001157747578 864098646 /nfs/dbraw/zinc/09/86/46/864098646.db2.gz UZYRYOBBGFYMPA-FXSSULRXSA-N 1 0 305.382 1.838 20 5 DDBDRO O=C(NCCC[NH2+]CCCOc1ccccc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157775583 864131656 /nfs/dbraw/zinc/13/16/56/864131656.db2.gz RFASPRQXVCCHDT-HUUCEWRRSA-N 1 0 321.377 1.217 20 5 DDBDRO CCOC(=O)c1ccnc(N(CC[NH2+]C)C(C)(C)C)c1[N+](=O)[O-] ZINC001157833804 864180335 /nfs/dbraw/zinc/18/03/35/864180335.db2.gz SBGGQDQOARQWPE-UHFFFAOYSA-N 1 0 324.381 1.991 20 5 DDBDRO [NH3+]Cc1ccc2ncn(-c3c(Cl)[n+]([O-])ccc3[N+](=O)[O-])c2c1 ZINC001158005593 864350461 /nfs/dbraw/zinc/35/04/61/864350461.db2.gz CKTNWYBZJAWFDH-UHFFFAOYSA-N 1 0 319.708 1.679 20 5 DDBDRO CSc1nc(Cl)nc(N2C[C@H](C)[NH2+][C@@H](C)C2)c1[N+](=O)[O-] ZINC001158176882 864471228 /nfs/dbraw/zinc/47/12/28/864471228.db2.gz GUARZLSYGZLPAI-BQBZGAKWSA-N 1 0 317.802 1.947 20 5 DDBDRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001331568329 865160193 /nfs/dbraw/zinc/16/01/93/865160193.db2.gz HPAPMAUPZQEKGQ-IINYFYTJSA-N 1 0 304.350 1.413 20 5 DDBDRO CN(CC[NH3+])CCNc1cc([N+](=O)[O-])cc2c(Cl)ncnc12 ZINC001159442736 865296667 /nfs/dbraw/zinc/29/66/67/865296667.db2.gz ASWVOGWFMAKETQ-UHFFFAOYSA-N 1 0 324.772 1.494 20 5 DDBDRO O=[N+]([O-])c1cc2nc(Cl)ccc2cc1N[C@H]1C[NH2+]C[C@H]1CO ZINC001159684078 865469980 /nfs/dbraw/zinc/46/99/80/865469980.db2.gz ZGNTYXVPXQMLDL-CABZTGNLSA-N 1 0 322.752 1.789 20 5 DDBDRO O=C(NCCC1=CC[N@H+](CC2CCC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001160106857 865679926 /nfs/dbraw/zinc/67/99/26/865679926.db2.gz FHBIUJODZUDLTM-HUUCEWRRSA-N 1 0 307.394 1.590 20 5 DDBDRO COc1cnc(N2c3ccccc3OC[C@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC001160200729 865724598 /nfs/dbraw/zinc/72/45/98/865724598.db2.gz SUUXVUMCSPRMEJ-SNVBAGLBSA-N 1 0 316.317 1.856 20 5 DDBDRO COc1nc(NCc2ccccc2C[NH3+])nc(OC)c1[N+](=O)[O-] ZINC001160907078 866180627 /nfs/dbraw/zinc/18/06/27/866180627.db2.gz JEBOHCRPWGCREM-UHFFFAOYSA-N 1 0 319.321 1.473 20 5 DDBDRO COCCC[NH+]1CCC(Oc2[nH]ccc(=O)c2[N+](=O)[O-])CC1 ZINC001225663756 881966602 /nfs/dbraw/zinc/96/66/02/881966602.db2.gz GMVXCOLFHNTGAO-UHFFFAOYSA-N 1 0 311.338 1.575 20 5 DDBDRO Cn1cc(N2CC[C@H]([NH2+]CCc3ccc([N+](=O)[O-])cc3)C2)cn1 ZINC001333353293 866660515 /nfs/dbraw/zinc/66/05/15/866660515.db2.gz RXFSODADPUCGMN-AWEZNQCLSA-N 1 0 315.377 1.739 20 5 DDBDRO COc1cc([N+](=O)[O-])cnc1NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC001333749159 866981259 /nfs/dbraw/zinc/98/12/59/866981259.db2.gz SWFCXCKSOKTTQU-LBPRGKRZSA-N 1 0 322.365 1.664 20 5 DDBDRO CCN(CC[NH2+]Cc1cc(C)cc(C)c1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001320735054 866991638 /nfs/dbraw/zinc/99/16/38/866991638.db2.gz QRXYGJSPEKVOQF-HZPDHXFCSA-N 1 0 319.405 1.907 20 5 DDBDRO [NH3+]C1CCN(CCNc2ccc3[nH]cc([N+](=O)[O-])c3n2)CC1 ZINC001161867443 867047402 /nfs/dbraw/zinc/04/74/02/867047402.db2.gz HPXNWLHJEFTKJV-UHFFFAOYSA-N 1 0 304.354 1.306 20 5 DDBDRO CC1(C)C[NH2+]C[C@H](CNc2ncc([N+](=O)[O-])cc2[N+](=O)[O-])O1 ZINC001161954051 867138353 /nfs/dbraw/zinc/13/83/53/867138353.db2.gz KTLOKQPFGQNPMV-SECBINFHSA-N 1 0 311.298 1.077 20 5 DDBDRO Cc1nn(CCO)c(C)c1C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC001321075948 867291217 /nfs/dbraw/zinc/29/12/17/867291217.db2.gz PZFQLNXARXZYEB-UHFFFAOYSA-N 1 0 318.377 1.999 20 5 DDBDRO COC(=O)c1ncc([N+](=O)[O-])c(C)c1NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC001162478306 867563303 /nfs/dbraw/zinc/56/33/03/867563303.db2.gz XHRRDDBZIPFHTN-IUCAKERBSA-N 1 0 312.301 1.197 20 5 DDBDRO O=C1NCc2c1c([N+](=O)[O-])ccc2NC[C@]1(F)CCCC[NH2+]C1 ZINC001162586354 867662950 /nfs/dbraw/zinc/66/29/50/867662950.db2.gz UZQNCOXXLYLTJI-HNNXBMFYSA-N 1 0 322.340 1.732 20 5 DDBDRO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC001325115191 867782662 /nfs/dbraw/zinc/78/26/62/867782662.db2.gz XGVSHYQASCROMJ-CMPLNLGQSA-N 1 0 307.354 1.406 20 5 DDBDRO O=[N+]([O-])c1ccc(Cl)nc1NCc1nnc2n1CCC[NH2+]C2 ZINC001163017627 868005195 /nfs/dbraw/zinc/00/51/95/868005195.db2.gz NNQQPPQLFPIBOW-UHFFFAOYSA-N 1 0 323.744 1.340 20 5 DDBDRO COc1ccnc(NCC[C@@H]2CCOC23C[NH2+]C3)c1[N+](=O)[O-] ZINC001163079724 868062444 /nfs/dbraw/zinc/06/24/44/868062444.db2.gz CNOQWRVUUDOJQQ-SNVBAGLBSA-N 1 0 308.338 1.179 20 5 DDBDRO O=[N+]([O-])c1cc2c(nc1NC[C@@H]1CO[C@@H]3C[NH2+]C[C@H]13)CCCC2 ZINC001163102635 868102144 /nfs/dbraw/zinc/10/21/44/868102144.db2.gz XNBZXZCKGLJYFY-LALPHHSUSA-N 1 0 318.377 1.515 20 5 DDBDRO Cc1c(N[C@@H]2C[NH2+][C@@H]3COC[C@H]23)ccc([N+](=O)[O-])c1[N+](=O)[O-] ZINC001163141766 868154513 /nfs/dbraw/zinc/15/45/13/868154513.db2.gz WPSJRWXBBYERFB-FBIMIBRVSA-N 1 0 308.294 1.210 20 5 DDBDRO COc1nc(C)c(NC[C@@H]2OC[C@H]3C[NH2+]CC[C@H]32)cc1[N+](=O)[O-] ZINC001163171458 868183570 /nfs/dbraw/zinc/18/35/70/868183570.db2.gz LHHGDEZUMDAIDY-GYSYKLTISA-N 1 0 322.365 1.343 20 5 DDBDRO O=[N+]([O-])c1cccc2c(NC[C@@]34C[NH2+][C@@H](CO3)C4)ccnc21 ZINC001163203633 868211159 /nfs/dbraw/zinc/21/11/59/868211159.db2.gz MRXQXNVQHKGMOR-MEBBXXQBSA-N 1 0 300.318 1.686 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@@H]1C[C@H]1C(F)(F)F ZINC001335412607 868279818 /nfs/dbraw/zinc/27/98/18/868279818.db2.gz PVXBVBIRIPWEOO-IVZWLZJFSA-N 1 0 320.267 1.875 20 5 DDBDRO O=[N+]([O-])c1cc(NC[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)cnc1F ZINC001163286178 868311837 /nfs/dbraw/zinc/31/18/37/868311837.db2.gz ZILPHHMTWMEVEU-YGRLFVJLSA-N 1 0 310.329 1.700 20 5 DDBDRO C[C@@H]1SCC[C@H]1[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC001335471369 868322541 /nfs/dbraw/zinc/32/25/41/868322541.db2.gz ZPWDHBGEJDINOM-ZKYQVNSYSA-N 1 0 312.391 1.818 20 5 DDBDRO COc1cc(N[C@@H]2CCO[C@]3(CC[NH2+]C3)C2)cnc1[N+](=O)[O-] ZINC001163327007 868357429 /nfs/dbraw/zinc/35/74/29/868357429.db2.gz IKYQKGAFEYUSJW-QMTHXVAHSA-N 1 0 308.338 1.321 20 5 DDBDRO COC(=O)c1ccc([C@H]([NH3+])CNc2cccc([N+](=O)[O-])n2)cc1 ZINC001163462156 868470999 /nfs/dbraw/zinc/47/09/99/868470999.db2.gz NYCIRXMZMWFBJZ-GFCCVEGCSA-N 1 0 316.317 1.888 20 5 DDBDRO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N(C)CC[NH2+]C ZINC001163719194 868654471 /nfs/dbraw/zinc/65/44/71/868654471.db2.gz QRZKPTVUGFBUHY-UHFFFAOYSA-N 1 0 316.745 1.476 20 5 DDBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N1CCC[C@]12CC[NH2+]C2 ZINC001336861345 869188071 /nfs/dbraw/zinc/18/80/71/869188071.db2.gz ZPXVLFHRWJXAHK-MRXNPFEDSA-N 1 0 318.377 1.675 20 5 DDBDRO COCCC[NH+]1CCN(c2cc([N+](=O)[O-])cc(Cl)n2)CC1 ZINC001165093839 869370416 /nfs/dbraw/zinc/37/04/16/869370416.db2.gz IOKNHMORSYYUAJ-UHFFFAOYSA-N 1 0 314.773 1.802 20 5 DDBDRO [NH3+]C[C@@H]1CN(C(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)CCO1 ZINC001165121189 869388945 /nfs/dbraw/zinc/38/89/45/869388945.db2.gz NZBAVTYLXIRQMV-MRVPVSSYSA-N 1 0 322.699 1.352 20 5 DDBDRO COC(=O)c1ccc(NC(C)=O)cc1O[C@@H](C)C[N+](C)(C)C ZINC001226233240 882297023 /nfs/dbraw/zinc/29/70/23/882297023.db2.gz RDUBTYMYHRUXQT-NSHDSACASA-O 1 0 309.386 1.905 20 5 DDBDRO C[NH+](C)C[C@]12C[C@H]1CN(c1c(Cl)[n+]([O-])ccc1[N+](=O)[O-])C2 ZINC001165185327 869419413 /nfs/dbraw/zinc/41/94/13/869419413.db2.gz WLAUTDPYKMWTQJ-ZANVPECISA-N 1 0 312.757 1.270 20 5 DDBDRO COc1nc(C)c([N+](=O)[O-])c(N2C[C@@H]3C[C@]3(C[NH+](C)C)C2)n1 ZINC001165185392 869419749 /nfs/dbraw/zinc/41/97/49/869419749.db2.gz XJCNVUGEXNNOIM-HZMBPMFUSA-N 1 0 307.354 1.090 20 5 DDBDRO O=[N+]([O-])c1cnc(N2CC[C@@H]3[NH2+]CCO[C@H]3C2)c2ccccc21 ZINC001165270261 869482219 /nfs/dbraw/zinc/48/22/19/869482219.db2.gz AGZJFNADMNKMFZ-ZFWWWQNUSA-N 1 0 314.345 1.710 20 5 DDBDRO O=[N+]([O-])c1ccc(-c2ccc(N3CCC[C@H]4[NH2+]C[C@@H]43)nn2)cc1 ZINC001165395239 869565210 /nfs/dbraw/zinc/56/52/10/869565210.db2.gz UJXIZZDFXBWLTH-CABCVRRESA-N 1 0 311.345 1.992 20 5 DDBDRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1c1ncc([N+](=O)[O-])cc1C ZINC001165404463 869571939 /nfs/dbraw/zinc/57/19/39/869571939.db2.gz BMMLCSUHBKUBEO-WCFLWFBJSA-N 1 0 320.349 1.028 20 5 DDBDRO COCc1nn(-c2cc(Cl)ncc2[N+](=O)[O-])c2c1C[NH2+]C2 ZINC001165632177 869660334 /nfs/dbraw/zinc/66/03/34/869660334.db2.gz OZGXUDZHCIANBO-UHFFFAOYSA-N 1 0 309.713 1.579 20 5 DDBDRO CCC1([NH+](C)C)CCN(c2nnc(CCC[N+](=O)[O-])n2C)CC1 ZINC001338173480 869850776 /nfs/dbraw/zinc/85/07/76/869850776.db2.gz VZORIJCZKZQNNF-UHFFFAOYSA-N 1 0 324.429 1.335 20 5 DDBDRO C[N@@H+]1CCC[C@@](O)(CC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001339085893 870339089 /nfs/dbraw/zinc/33/90/89/870339089.db2.gz HMYUFMZTQLKAOI-MRXNPFEDSA-N 1 0 319.361 1.284 20 5 DDBDRO C[NH+]1CCC(NC(=S)N2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001339561712 870557700 /nfs/dbraw/zinc/55/77/00/870557700.db2.gz MENHLENJTKWISH-UHFFFAOYSA-N 1 0 320.418 1.879 20 5 DDBDRO C[C@@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC001339681524 870630998 /nfs/dbraw/zinc/63/09/98/870630998.db2.gz WYHVUPUZWKFWFI-JQWIXIFHSA-N 1 0 309.370 1.510 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC001340605409 871227674 /nfs/dbraw/zinc/22/76/74/871227674.db2.gz YOPKCGDXPCTONL-RKDXNWHRSA-N 1 0 320.271 1.285 20 5 DDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(C[NH2+]CCCCCF)CC1 ZINC001205224050 871440743 /nfs/dbraw/zinc/44/07/43/871440743.db2.gz KPDWAASKVQVXMP-ZIAGYGMSSA-N 1 0 315.389 1.620 20 5 DDBDRO O=C(COc1ccccc1[N+](=O)[O-])N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001341158385 871532372 /nfs/dbraw/zinc/53/23/72/871532372.db2.gz OJKVOCHMCNWGNZ-NWDGAFQWSA-N 1 0 305.334 1.042 20 5 DDBDRO C[C@H](c1nnc(N2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)n1C)[N+](=O)[O-] ZINC001341358309 871619306 /nfs/dbraw/zinc/61/93/06/871619306.db2.gz FWPRVXHQVVBMAA-YVECIDJPSA-N 1 0 322.413 1.319 20 5 DDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CC[NH+](C(C)(C)C)CC1 ZINC001317890632 871620567 /nfs/dbraw/zinc/62/05/67/871620567.db2.gz APZWKEJRPPCJDZ-UHFFFAOYSA-N 1 0 320.393 1.875 20 5 DDBDRO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Nc3ccc(N)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC001310993120 871668041 /nfs/dbraw/zinc/66/80/41/871668041.db2.gz WWHAWJNIEZZPSV-UFGOTCBOSA-N 1 0 319.365 1.639 20 5 DDBDRO CNc1ccc(C(=O)N2[C@H](C)C[NH2+][C@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC001341769584 871816337 /nfs/dbraw/zinc/81/63/37/871816337.db2.gz ZVXBVUKNMQYLBK-MXWKQRLJSA-N 1 0 306.366 1.847 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCC[C@@H]1CSCC[NH2+]1 ZINC001342009492 871949435 /nfs/dbraw/zinc/94/94/35/871949435.db2.gz VSXJPZATDAPDOX-LLVKDONJSA-N 1 0 309.391 1.728 20 5 DDBDRO Nc1cc(O[C@H](C[N+](=O)[O-])c2ccc3c(c2)OCO3)cc[nH+]1 ZINC001226653786 882570440 /nfs/dbraw/zinc/57/04/40/882570440.db2.gz POBNLMIBUOKGOH-CYBMUJFWSA-N 1 0 303.274 1.789 20 5 DDBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2C[NH2+]C[C@H]2C)c1 ZINC001342430720 872205961 /nfs/dbraw/zinc/20/59/61/872205961.db2.gz OMHJVVQJMTUOKL-ZJUUUORDSA-N 1 0 309.391 1.902 20 5 DDBDRO [NH3+][C@H]1C[C@H](NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC001342831305 872404677 /nfs/dbraw/zinc/40/46/77/872404677.db2.gz VFINDPDPMHSXIZ-KYZUINATSA-N 1 0 315.782 1.946 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)OCCCOCc1ccccc1 ZINC001206756790 872552406 /nfs/dbraw/zinc/55/24/06/872552406.db2.gz BKQMCHNWGUCMHY-MRXNPFEDSA-N 1 0 310.414 1.594 20 5 DDBDRO C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)c3c[nH]nc3[N+](=O)[O-])C[C@H]2C1 ZINC001345234928 873316644 /nfs/dbraw/zinc/31/66/44/873316644.db2.gz NCBVAPRPCBBYLJ-HBNTYKKESA-N 1 0 307.354 1.120 20 5 DDBDRO Cc1c(C[NH3+])c(NC(=O)c2cc([N+](=O)[O-])cnc2C)nn1C ZINC001347157799 874037184 /nfs/dbraw/zinc/03/71/84/874037184.db2.gz TVJRDPSCORXDNS-UHFFFAOYSA-N 1 0 304.310 1.051 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NCC12CCC[NH+](CCC1)C2 ZINC001347351852 874107702 /nfs/dbraw/zinc/10/77/02/874107702.db2.gz IOYHLAYVIPESHX-UHFFFAOYSA-N 1 0 321.381 1.092 20 5 DDBDRO CC[NH+](CC)CCO[C@@H]1CCN(c2cc(N)c([N+](=O)[O-])cn2)C1 ZINC001348020304 874336257 /nfs/dbraw/zinc/33/62/57/874336257.db2.gz JELNMLCUTRXGNY-GFCCVEGCSA-N 1 0 323.397 1.509 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cccc2ccc(N)nc21 ZINC001227104296 882834587 /nfs/dbraw/zinc/83/45/87/882834587.db2.gz XDZWCHFHLLDJDJ-GFCCVEGCSA-N 1 0 304.370 1.180 20 5 DDBDRO Cc1cc(NC(=O)C2C[NH+](C3CCOCC3)C2)cc([N+](=O)[O-])c1 ZINC001349856353 875415973 /nfs/dbraw/zinc/41/59/73/875415973.db2.gz GHUBJTZLVOPMLK-UHFFFAOYSA-N 1 0 319.361 1.953 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H](OC[C@@H]1C[C@H]3CC[NH2+]C[C@@H]3O1)C2 ZINC001217788173 877322348 /nfs/dbraw/zinc/32/23/48/877322348.db2.gz GZLJKVMEHCDJPM-ZCPGHIKRSA-N 1 0 318.373 1.846 20 5 DDBDRO O=[N+]([O-])c1ccc(CC[NH2+]CC[C@@H]2CCCS2(=O)=O)cc1 ZINC001353607411 877446370 /nfs/dbraw/zinc/44/63/70/877446370.db2.gz WHKNVBPIRDZHLO-AWEZNQCLSA-N 1 0 312.391 1.694 20 5 DDBDRO C[C@H](CNC(=O)[C@@H]1C[C@]12CC[NH2+]C2)c1ccccc1[N+](=O)[O-] ZINC001355316108 878496000 /nfs/dbraw/zinc/49/60/00/878496000.db2.gz LTIXOVGCBHRDDO-FFSVYQOJSA-N 1 0 303.362 1.814 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CCCC(F)F ZINC001356113782 878870599 /nfs/dbraw/zinc/87/05/99/878870599.db2.gz NSTMIHWHVNGPPE-JTQLQIEISA-N 1 0 304.293 1.969 20 5 DDBDRO C[NH2+]CCN(C(=O)NCc1cc([N+](=O)[O-])ccc1OC)C(C)C ZINC001356586318 879117356 /nfs/dbraw/zinc/11/73/56/879117356.db2.gz ZKSVGHYOGPUWMK-UHFFFAOYSA-N 1 0 324.381 1.743 20 5 DDBDRO O=C(NC[C@]12CCC[C@H]1[NH2+]CC2)c1ccc([N+](=O)[O-])cc1F ZINC001358202972 880366559 /nfs/dbraw/zinc/36/65/59/880366559.db2.gz FCZCPKMUHDHKHF-UKRRQHHQSA-N 1 0 307.325 1.996 20 5 DDBDRO COc1cc(CO[C@H](C)C[N+](C)(C)C)c2c(c1OC)C(=O)OC2 ZINC001223616492 881027863 /nfs/dbraw/zinc/02/78/63/881027863.db2.gz ALKYRXRJPVQSLJ-LLVKDONJSA-N 1 0 324.397 1.986 20 5 DDBDRO COC(=O)c1cccc(CO[C@@H]2CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC001223665094 881048691 /nfs/dbraw/zinc/04/86/91/881048691.db2.gz NIDPHJULPQINJZ-GFCCVEGCSA-N 1 0 308.334 1.992 20 5 DDBDRO C[N@@H+]1[C@@H]2C[C@H](Oc3nc4cc([N+](=O)[O-])ccc4[nH]3)[C@H]1CC(=O)C2 ZINC001227744022 883153738 /nfs/dbraw/zinc/15/37/38/883153738.db2.gz CRXUNZOJYMMNGX-FZZIBODNSA-N 1 0 316.317 1.654 20 5 DDBDRO O=c1[nH]nc(O[C@@H]2C[NH+]3CCC2CC3)c2c1cccc2[N+](=O)[O-] ZINC001229366867 883947424 /nfs/dbraw/zinc/94/74/24/883947424.db2.gz GMIJRMQHKOYKCV-GFCCVEGCSA-N 1 0 316.317 1.717 20 5 DDBDRO Cn1cncc1-c1ccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)cc1 ZINC001231082850 885199057 /nfs/dbraw/zinc/19/90/57/885199057.db2.gz UNBHJSURJJRJPI-CQSZACIVSA-N 1 0 318.397 1.450 20 5 DDBDRO CCCOC(=O)c1ccccc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001231336894 885516239 /nfs/dbraw/zinc/51/62/39/885516239.db2.gz DSYHUWJDCIAIIS-CYBMUJFWSA-N 1 0 324.397 1.616 20 5 DDBDRO C[N@H+](CCCNC(=O)c1cocn1)Cc1cccc([N+](=O)[O-])c1 ZINC001235716829 888910409 /nfs/dbraw/zinc/91/04/09/888910409.db2.gz UEQTULJLXHHZDI-UHFFFAOYSA-N 1 0 318.333 1.835 20 5 DDBDRO Cc1ccc(CNC(=O)NC[C@](C)(O)C[NH+](C)C)cc1[N+](=O)[O-] ZINC001254240407 896312040 /nfs/dbraw/zinc/31/20/40/896312040.db2.gz HVJLRVUNZULPCH-HNNXBMFYSA-N 1 0 324.381 1.015 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H](N1CC[NH+](CCCO)CC1)C2 ZINC001254592638 896521609 /nfs/dbraw/zinc/52/16/09/896521609.db2.gz DTSODPHWVMJUQW-INIZCTEOSA-N 1 0 305.378 1.062 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH+]1CCC3(C[C@H](O)CO3)CC1)C2 ZINC001254592383 896522717 /nfs/dbraw/zinc/52/27/17/896522717.db2.gz CMIOJBHYEIGQPE-HOTGVXAUSA-N 1 0 318.373 1.678 20 5 DDBDRO CC(C)(C)[N@H+](C[C@@H](O)CO)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254592988 896522898 /nfs/dbraw/zinc/52/28/98/896522898.db2.gz IPXCIVTVGCXDFP-HUUCEWRRSA-N 1 0 308.378 1.516 20 5 DDBDRO CC[C@H](O)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC001256086104 897279276 /nfs/dbraw/zinc/27/92/76/897279276.db2.gz VLWPCWORFWKBTL-AWEZNQCLSA-N 1 0 323.393 1.933 20 5 DDBDRO CCOCC(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001263853858 900768583 /nfs/dbraw/zinc/76/85/83/900768583.db2.gz JEGOLVRHABVULQ-HDJSIYSDSA-N 1 0 321.377 1.616 20 5 DDBDRO C[N@H+]1C[C@H]2CN(C(=O)Nc3ccc([N+](=O)[O-])cc3F)C[C@H]2C1 ZINC000278251553 214047353 /nfs/dbraw/zinc/04/73/53/214047353.db2.gz BYDSESARGILRDL-AOOOYVTPSA-N 1 0 308.313 1.759 20 5 DDBDRO O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1CC[C@@H]1CC[NH2+]C1 ZINC000563528771 303958842 /nfs/dbraw/zinc/95/88/42/303958842.db2.gz FNWFEEFLMAYRCP-LBPRGKRZSA-N 1 0 314.345 1.818 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1CCC[C@H]1[NH+](C)C ZINC000614712206 361985903 /nfs/dbraw/zinc/98/59/03/361985903.db2.gz ZVEUIEILZOOOFK-VXGBXAGGSA-N 1 0 309.370 1.089 20 5 DDBDRO CCOc1ccc([C@@H](C)NC[C@H](O)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000153666844 290650200 /nfs/dbraw/zinc/65/02/00/290650200.db2.gz SZUHGZYVQCRGRR-YPMHNXCESA-N 1 0 311.382 1.567 20 5 DDBDRO CC[C@@H](CO)[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000295600027 529503935 /nfs/dbraw/zinc/50/39/35/529503935.db2.gz CFWJYJJAUYDOOA-LBPRGKRZSA-N 1 0 309.366 1.935 20 5 DDBDRO CN(CC(=O)N1CCC2(CC[NH2+]2)CC1)c1ccccc1[N+](=O)[O-] ZINC000424061602 529827185 /nfs/dbraw/zinc/82/71/85/529827185.db2.gz XVGWILOGHBDBET-UHFFFAOYSA-N 1 0 318.377 1.386 20 5 DDBDRO CNC(=O)c1ccc(NC[C@@H](C2CC2)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000301159658 529942641 /nfs/dbraw/zinc/94/26/41/529942641.db2.gz FGSZRKQKOQSMNC-AWEZNQCLSA-N 1 0 306.366 1.707 20 5 DDBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H](CO)CC(C)(C)C ZINC000451787207 529939575 /nfs/dbraw/zinc/93/95/75/529939575.db2.gz JIRMTCMDTUNMDX-CYBMUJFWSA-N 1 0 311.382 1.485 20 5 DDBDRO COc1cc(C(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000272655474 282318170 /nfs/dbraw/zinc/31/81/70/282318170.db2.gz QOENHQLPGOEZRN-RISCZKNCSA-N 1 0 319.361 1.770 20 5 DDBDRO C[NH2+]C1CCN(C(=O)CCn2nc(C)c([N+](=O)[O-])c2C)CC1 ZINC000429407003 529955867 /nfs/dbraw/zinc/95/58/67/529955867.db2.gz JHNCBICJASKBLR-UHFFFAOYSA-N 1 0 309.370 1.009 20 5 DDBDRO C[NH2+]C1CCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000430920685 529956031 /nfs/dbraw/zinc/95/60/31/529956031.db2.gz QAGIVIUCEMCVMK-UHFFFAOYSA-N 1 0 306.366 1.241 20 5 DDBDRO C[NH2+]CCC1CCN(C(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000415389417 529960406 /nfs/dbraw/zinc/96/04/06/529960406.db2.gz SWIUYHCTHUJNBW-UHFFFAOYSA-N 1 0 307.354 1.265 20 5 DDBDRO C[N@@H+]1CCO[C@@H]2CCN(c3nc4sccn4c3[N+](=O)[O-])C[C@H]21 ZINC000284899854 282342863 /nfs/dbraw/zinc/34/28/63/282342863.db2.gz HOWHDNOUOACTJY-NXEZZACHSA-N 1 0 323.378 1.213 20 5 DDBDRO C[NH2+]C[C@@H]1CCN(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000430953091 529993168 /nfs/dbraw/zinc/99/31/68/529993168.db2.gz GAHLKHYVXJAPLG-LBPRGKRZSA-N 1 0 306.366 1.383 20 5 DDBDRO COC(C[N@H+](CCCO)CCc1ccc([N+](=O)[O-])cc1)OC ZINC000272744342 210149600 /nfs/dbraw/zinc/14/96/00/210149600.db2.gz IRHUFTJPHXELQW-UHFFFAOYSA-N 1 0 312.366 1.441 20 5 DDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)C[NH+](C)C ZINC000286746152 219143445 /nfs/dbraw/zinc/14/34/45/219143445.db2.gz OVCYOSCDFNBHIA-JTQLQIEISA-N 1 0 315.395 1.386 20 5 DDBDRO C[C@H]([NH2+]C[C@@H]1CS(=O)(=O)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000358305325 299116511 /nfs/dbraw/zinc/11/65/11/299116511.db2.gz ZMYQQZGYDZVZIN-GXFFZTMASA-N 1 0 314.363 1.059 20 5 DDBDRO COC(=O)c1cnc(N2CCC[C@H]([NH2+]C(C)C)C2)c([N+](=O)[O-])c1 ZINC000616176913 362575318 /nfs/dbraw/zinc/57/53/18/362575318.db2.gz IHTMOHYPGITZKJ-LBPRGKRZSA-N 1 0 322.365 1.743 20 5 DDBDRO COc1cc(C(=O)N[C@@H]2CCC[N@H+](C)C2)cc([N+](=O)[O-])c1C ZINC000616322133 362636472 /nfs/dbraw/zinc/63/64/72/362636472.db2.gz BVDOLXZZPMUOAH-GFCCVEGCSA-N 1 0 307.350 1.736 20 5 DDBDRO CCCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000071330328 190959389 /nfs/dbraw/zinc/95/93/89/190959389.db2.gz FWNBLQWMPCXFID-NSHDSACASA-N 1 0 313.379 1.357 20 5 DDBDRO CN(C)CC(C)(C)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000459550699 233303728 /nfs/dbraw/zinc/30/37/28/233303728.db2.gz QDYKMJJOZILZKL-LBPRGKRZSA-N 1 0 311.382 1.264 20 5 DDBDRO CCc1n[nH]c(C(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)c1[N+](=O)[O-] ZINC000287100143 219313023 /nfs/dbraw/zinc/31/30/23/219313023.db2.gz LIENOEOBFRFOQW-ZYHUDNBSSA-N 1 0 321.381 1.579 20 5 DDBDRO CC[NH+](CC)CCN(CC(C)C)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000159568855 186127781 /nfs/dbraw/zinc/12/77/81/186127781.db2.gz IKDHHFYLWBMGEG-UHFFFAOYSA-N 1 0 311.386 1.758 20 5 DDBDRO CN1CCC[C@@H]1C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000564857522 304020193 /nfs/dbraw/zinc/02/01/93/304020193.db2.gz UZJZFFIHFUNTII-CHWSQXEVSA-N 1 0 309.366 1.018 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)n1 ZINC000617405651 363090895 /nfs/dbraw/zinc/09/08/95/363090895.db2.gz JAEFVYIGTQDJIQ-LLVKDONJSA-N 1 0 307.354 1.025 20 5 DDBDRO [NH3+][C@@H]1CC[C@@H](C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000172818720 198152778 /nfs/dbraw/zinc/15/27/78/198152778.db2.gz IAJPFWCYNBKLKZ-CHWSQXEVSA-N 1 0 318.377 1.371 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]Cc2cccc(Cl)c2)c1 ZINC000053156032 352643362 /nfs/dbraw/zinc/64/33/62/352643362.db2.gz DDMILKYLDNBBNK-ZDUSSCGKSA-N 1 0 310.741 1.595 20 5 DDBDRO C[C@@H](CNC(=O)COc1cccc([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC000055540468 352737561 /nfs/dbraw/zinc/73/75/61/352737561.db2.gz HKGZHBKIYZERRD-ZDUSSCGKSA-N 1 0 321.377 1.822 20 5 DDBDRO O=C(NCCCC[NH+]1CCOCC1)c1ccc([N+](=O)[O-])s1 ZINC000057562745 352821156 /nfs/dbraw/zinc/82/11/56/352821156.db2.gz QGXJIXGUBCTDOI-UHFFFAOYSA-N 1 0 313.379 1.499 20 5 DDBDRO CC[NH+]1CCC(CNC(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000057000862 352793974 /nfs/dbraw/zinc/79/39/74/352793974.db2.gz UOKKBHHKEUYEKN-UHFFFAOYSA-N 1 0 305.378 1.985 20 5 DDBDRO C[C@H](CNC(=O)COc1ccc([N+](=O)[O-])cc1)[NH+]1CCCC1 ZINC000063733279 352921962 /nfs/dbraw/zinc/92/19/62/352921962.db2.gz QLWFMIGEBMPMSB-GFCCVEGCSA-N 1 0 307.350 1.574 20 5 DDBDRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc([N+](=O)[O-])cc1 ZINC000064334119 352933592 /nfs/dbraw/zinc/93/35/92/352933592.db2.gz ZOLKBZIFPFNPDL-KBPBESRZSA-N 1 0 305.334 1.188 20 5 DDBDRO CNc1ccc(C(=O)N2CCNC[C@](C)(F)C2)cc1[N+](=O)[O-] ZINC000564957583 304030107 /nfs/dbraw/zinc/03/01/07/304030107.db2.gz QQCBHMMHDFSIGW-AWEZNQCLSA-N 1 0 310.329 1.410 20 5 DDBDRO CC[NH+]1CCC(NC(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000067725015 353064700 /nfs/dbraw/zinc/06/47/00/353064700.db2.gz CVMLEIWRYQWNNU-UHFFFAOYSA-N 1 0 306.366 1.878 20 5 DDBDRO NC(=O)[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000068951211 353138084 /nfs/dbraw/zinc/13/80/84/353138084.db2.gz KYAUAAITAULFSU-OAHLLOKOSA-N 1 0 315.329 1.790 20 5 DDBDRO CC(C)[N@H+](C)CCNC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000069111136 353145234 /nfs/dbraw/zinc/14/52/34/353145234.db2.gz MOBNYWNVOOTXNA-UHFFFAOYSA-N 1 0 324.381 1.613 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C)N2CC[NH+](C)CC2)c1 ZINC000173726316 198245487 /nfs/dbraw/zinc/24/54/87/198245487.db2.gz FLUBCNUXTWXZGL-ZDUSSCGKSA-N 1 0 320.393 1.269 20 5 DDBDRO CC[N@@H+]1CCC[C@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000069471731 353162344 /nfs/dbraw/zinc/16/23/44/353162344.db2.gz QQHNDUUYQQFNFF-SNVBAGLBSA-N 1 0 324.356 1.778 20 5 DDBDRO COC[C@@H](O)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174246351 198309953 /nfs/dbraw/zinc/30/99/53/198309953.db2.gz HMGCLXLHKMBGSU-ZDUSSCGKSA-N 1 0 310.350 1.445 20 5 DDBDRO CCC[N@@H+]1CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000074073620 353290026 /nfs/dbraw/zinc/29/00/26/353290026.db2.gz YQUWUWFWPGJNLU-UHFFFAOYSA-N 1 0 324.356 1.874 20 5 DDBDRO COc1c(C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)cccc1[N+](=O)[O-] ZINC000332012029 234386817 /nfs/dbraw/zinc/38/68/17/234386817.db2.gz SGHRPCRYVRAJPQ-SMDDNHRTSA-N 1 0 319.361 1.770 20 5 DDBDRO CC[NH+]1CCN([C@H](C)CNc2cc(C)c([N+](=O)[O-])cn2)CC1 ZINC000074740650 353327665 /nfs/dbraw/zinc/32/76/65/353327665.db2.gz DUXKJGBZLYVYDF-CYBMUJFWSA-N 1 0 307.398 1.736 20 5 DDBDRO C[NH+](C)CC(C)(C)CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000078746569 353530067 /nfs/dbraw/zinc/53/00/67/353530067.db2.gz OGQWITSJLWBZBP-UHFFFAOYSA-N 1 0 319.365 1.831 20 5 DDBDRO CCOC(=O)c1ccnc(NC[C@H]2CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000077965670 353498152 /nfs/dbraw/zinc/49/81/52/353498152.db2.gz DVFNYKCSQLALLL-LLVKDONJSA-N 1 0 322.365 1.920 20 5 DDBDRO CC[NH+](CC)CCO[C@@H]1CCN(c2ncccc2[N+](=O)[O-])C1 ZINC000080680471 353622281 /nfs/dbraw/zinc/62/22/81/353622281.db2.gz NWPUZHDMTHZPNN-CYBMUJFWSA-N 1 0 308.382 1.927 20 5 DDBDRO CCc1nn(C)c(NCCN2CCC([NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000091733236 353835336 /nfs/dbraw/zinc/83/53/36/353835336.db2.gz VSPACSDNAMJULG-UHFFFAOYSA-N 1 0 324.429 1.329 20 5 DDBDRO Cc1cc([N+](=O)[O-])cnc1N(C)CCCN1CC[NH+](C)CC1 ZINC000092652815 353865841 /nfs/dbraw/zinc/86/58/41/353865841.db2.gz JRHLTFGYCGSAIR-UHFFFAOYSA-N 1 0 307.398 1.372 20 5 DDBDRO CS[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000235164998 354332159 /nfs/dbraw/zinc/33/21/59/354332159.db2.gz QEVFLMLPHOBPLW-RAIGVLPGSA-N 1 0 314.411 1.416 20 5 DDBDRO C[N@H+](C[C@@H](O)C1CC1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000305708927 354470673 /nfs/dbraw/zinc/47/06/73/354470673.db2.gz FJOOCMTZJGLBQH-HUUCEWRRSA-N 1 0 319.361 1.403 20 5 DDBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000320806228 354529055 /nfs/dbraw/zinc/52/90/55/354529055.db2.gz CZNBQZIEFAHANV-KCJUWKMLSA-N 1 0 310.329 1.481 20 5 DDBDRO Cc1ccc(C[C@@H](C)[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)s1 ZINC000316309759 354501747 /nfs/dbraw/zinc/50/17/47/354501747.db2.gz WCWOSXKCGMSIBP-ZWNOBZJWSA-N 1 0 324.406 1.743 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C[NH3+])Cc2ccccc21 ZINC000328501604 354544769 /nfs/dbraw/zinc/54/47/69/354544769.db2.gz UXGHWUFQWALHAW-LLVKDONJSA-N 1 0 314.345 1.711 20 5 DDBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000287394629 219497824 /nfs/dbraw/zinc/49/78/24/219497824.db2.gz YNUFGQIQFMWUOL-JSGCOSHPSA-N 1 0 321.381 1.267 20 5 DDBDRO O=[N+]([O-])c1ccc(OCCC[N@H+]2CC[C@@H](CO)[C@H](O)C2)cc1 ZINC000588966442 354952441 /nfs/dbraw/zinc/95/24/41/354952441.db2.gz ZIMUGFGVIKAJEX-SWLSCSKDSA-N 1 0 310.350 1.039 20 5 DDBDRO COc1cc(CN2CC[C@@H]3C[N@H+](C)C[C@H]32)c([N+](=O)[O-])cc1F ZINC000590011039 355040651 /nfs/dbraw/zinc/04/06/51/355040651.db2.gz GHOUWWSSBDIVIL-QMTHXVAHSA-N 1 0 309.341 1.878 20 5 DDBDRO C[C@H](CSc1nc2cc([N+](=O)[O-])ccc2c(=O)n1C)[NH+](C)C ZINC000358852412 291055565 /nfs/dbraw/zinc/05/55/65/291055565.db2.gz WIJRQAPRGIDQLI-SECBINFHSA-N 1 0 322.390 1.884 20 5 DDBDRO CNc1ccc(C(=O)N2CC[C@H](C)[C@H]([NH3+])[C@@H]2C)cc1[N+](=O)[O-] ZINC000590899581 355208796 /nfs/dbraw/zinc/20/87/96/355208796.db2.gz PDAQDGDSYIUHQS-BHDSKKPTSA-N 1 0 306.366 1.834 20 5 DDBDRO Cc1c(CNC(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)cccc1[N+](=O)[O-] ZINC000591357036 355298545 /nfs/dbraw/zinc/29/85/45/355298545.db2.gz FIEHPVIUGQWQRR-GXTWGEPZSA-N 1 0 318.377 1.797 20 5 DDBDRO [NH3+]C/C=C\CNC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000591361033 355301895 /nfs/dbraw/zinc/30/18/95/355301895.db2.gz XTQHUUMQMLWHNE-DDGIKZQJSA-N 1 0 318.377 1.999 20 5 DDBDRO CCOC(=O)c1cc(N2CC[C@H]3CC[NH2+][C@H]3C2)ccc1[N+](=O)[O-] ZINC000591439347 355311063 /nfs/dbraw/zinc/31/10/63/355311063.db2.gz SZILRRZTVLYNFV-RISCZKNCSA-N 1 0 319.361 1.960 20 5 DDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000591448436 355313953 /nfs/dbraw/zinc/31/39/53/355313953.db2.gz HRUPHTCIGYOPTL-LALPHHSUSA-N 1 0 318.377 1.606 20 5 DDBDRO C[C@H]1C[C@H](CO)C[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000591505193 355322317 /nfs/dbraw/zinc/32/23/17/355322317.db2.gz DOKXVNXAAOMFOI-RYUDHWBXSA-N 1 0 322.361 1.816 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000591299356 355283373 /nfs/dbraw/zinc/28/33/73/355283373.db2.gz JAMHLJPUYNFOSH-MFKMUULPSA-N 1 0 320.349 1.819 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2CCOC3(CCCC3)C2)c1 ZINC000591755999 355377997 /nfs/dbraw/zinc/37/79/97/355377997.db2.gz IKKPGZURRNPYKQ-GXTWGEPZSA-N 1 0 324.381 1.234 20 5 DDBDRO Cc1cc(N2CN(CC[NH+](C)C)C(=O)[C@H]2C)c(F)cc1[N+](=O)[O-] ZINC000591984800 355453041 /nfs/dbraw/zinc/45/30/41/355453041.db2.gz HXDJFDCWBIEWAK-LLVKDONJSA-N 1 0 324.356 1.599 20 5 DDBDRO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000592205589 355537367 /nfs/dbraw/zinc/53/73/67/355537367.db2.gz DBOWGBVAMPIWTL-ZKYQVNSYSA-N 1 0 308.334 1.512 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@H](CCO)c2ccccc2F)c1 ZINC000592162234 355522184 /nfs/dbraw/zinc/52/21/84/355522184.db2.gz VTGLRDUATCIRGN-CQSZACIVSA-N 1 0 308.313 1.644 20 5 DDBDRO COc1cc(CN2CC[C@@H]3CC[NH2+][C@H]3C2)c([N+](=O)[O-])cc1OC ZINC000592432553 355581789 /nfs/dbraw/zinc/58/17/89/355581789.db2.gz QUQSBAWGMJDQHC-AAEUAGOBSA-N 1 0 321.377 1.796 20 5 DDBDRO CC(C)[C@H]1[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC12CC=CC2 ZINC000592446779 355587008 /nfs/dbraw/zinc/58/70/08/355587008.db2.gz XCNPQBAADKEHJK-LSDHHAIUSA-N 1 0 320.393 1.829 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[NH2+]CC1(C)C ZINC000592473975 355593453 /nfs/dbraw/zinc/59/34/53/355593453.db2.gz ZANLKQQTIWHFLY-UHFFFAOYSA-N 1 0 306.366 1.526 20 5 DDBDRO CCOc1ccc(C(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000592477147 355593620 /nfs/dbraw/zinc/59/36/20/355593620.db2.gz OUSVATOGLOJNFP-HZMBPMFUSA-N 1 0 323.349 1.182 20 5 DDBDRO CC1([NH3+])CCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000592378240 355570193 /nfs/dbraw/zinc/57/01/93/355570193.db2.gz BODANSVHSJWRTI-UHFFFAOYSA-N 1 0 313.379 1.238 20 5 DDBDRO CC(C)[C@H]1CN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000592379732 355571317 /nfs/dbraw/zinc/57/13/17/355571317.db2.gz NILBTBAJLABBMP-LLVKDONJSA-N 1 0 313.379 1.213 20 5 DDBDRO C[C@@H]1CN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@@H](C)[NH2+]1 ZINC000592427704 355580068 /nfs/dbraw/zinc/58/00/68/355580068.db2.gz RKONEVOKSPDUEB-GHMZBOCLSA-N 1 0 307.350 1.548 20 5 DDBDRO COC(=O)c1cc(C(=O)N[C@@H](C)C[C@@H](C)[NH3+])cc([N+](=O)[O-])c1 ZINC000592568524 355631674 /nfs/dbraw/zinc/63/16/74/355631674.db2.gz VQALRRUGCKKDIS-BDAKNGLRSA-N 1 0 309.322 1.237 20 5 DDBDRO CN1CC[N@H+](C)C[C@H]1CNc1ccnc2cc([N+](=O)[O-])ccc21 ZINC000593463001 355893487 /nfs/dbraw/zinc/89/34/87/355893487.db2.gz JZVPSJWITSQPSW-CYBMUJFWSA-N 1 0 315.377 1.801 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000593917881 356059760 /nfs/dbraw/zinc/05/97/60/356059760.db2.gz ZLVCNNNXSCMACN-JQWIXIFHSA-N 1 0 309.370 1.076 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCCCC[C@H]1CO ZINC000594017220 356089271 /nfs/dbraw/zinc/08/92/71/356089271.db2.gz VQWCGWKJPHVLBY-KBPBESRZSA-N 1 0 324.377 1.571 20 5 DDBDRO C[C@H](C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)[NH+]1CC(C)C1 ZINC000594346426 356179415 /nfs/dbraw/zinc/17/94/15/356179415.db2.gz MEBOPBYEGKTXHV-GFCCVEGCSA-N 1 0 321.381 1.295 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594199311 356138365 /nfs/dbraw/zinc/13/83/65/356138365.db2.gz JTELFQXANUVOET-CHWSQXEVSA-N 1 0 321.381 1.233 20 5 DDBDRO CCc1ccc(C(=O)N[C@@H](C[NH3+])C(F)(F)F)cc1[N+](=O)[O-] ZINC000594450671 356221950 /nfs/dbraw/zinc/22/19/50/356221950.db2.gz NCERQYFPIXSLSX-JTQLQIEISA-N 1 0 305.256 1.777 20 5 DDBDRO COC1CC(CC[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000594717929 356295121 /nfs/dbraw/zinc/29/51/21/356295121.db2.gz IFRZWTICQMHMCP-UGWHAMFMSA-N 1 0 324.377 1.739 20 5 DDBDRO CCC[N@@H+]1CC[C@@H](NCc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000594990795 356368858 /nfs/dbraw/zinc/36/88/58/356368858.db2.gz AITYRKXSKDFWNK-CYBMUJFWSA-N 1 0 321.377 1.940 20 5 DDBDRO O=C1NCC[C@@H]1[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000595054269 356376524 /nfs/dbraw/zinc/37/65/24/356376524.db2.gz OTRYKCALMVFXKM-BNOWGMLFSA-N 1 0 303.362 1.784 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC2CC1(C[NH3+])C2 ZINC000595118216 356385184 /nfs/dbraw/zinc/38/51/84/356385184.db2.gz LOCNJQMRAUVVJS-UHFFFAOYSA-N 1 0 311.363 1.015 20 5 DDBDRO Cc1ccc(S(=O)(=O)NCC[C@@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000595121762 356386146 /nfs/dbraw/zinc/38/61/46/356386146.db2.gz RBDCHDLXPRADNA-GFCCVEGCSA-N 1 0 315.395 1.555 20 5 DDBDRO CCOc1ccc(C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000595260591 356423614 /nfs/dbraw/zinc/42/36/14/356423614.db2.gz DZXJYDCKFZOVMR-GHMZBOCLSA-N 1 0 311.313 1.505 20 5 DDBDRO CC(C)[C@H]([NH3+])CCNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000595263341 356425368 /nfs/dbraw/zinc/42/53/68/356425368.db2.gz USFSWHBMUHTALU-CYBMUJFWSA-N 1 0 308.382 1.810 20 5 DDBDRO C[C@@H]1C[C@H]([NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCO1 ZINC000595290672 356434469 /nfs/dbraw/zinc/43/44/69/356434469.db2.gz YMZDPVYVPJDSAD-CHWSQXEVSA-N 1 0 306.366 1.679 20 5 DDBDRO Cc1cc(S(=O)(=O)N2CC[NH2+]CC2(C)C)c([N+](=O)[O-])s1 ZINC000601338207 358505442 /nfs/dbraw/zinc/50/54/42/358505442.db2.gz PFGJFXSVZRXVPA-UHFFFAOYSA-N 1 0 319.408 1.337 20 5 DDBDRO CNC(=O)[C@@H](C)C[N@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000081556902 192290994 /nfs/dbraw/zinc/29/09/94/192290994.db2.gz CABBOCAVYDNVGV-JTQLQIEISA-N 1 0 323.349 1.275 20 5 DDBDRO CNC(=O)[C@@H](C)C[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000081556133 192291638 /nfs/dbraw/zinc/29/16/38/192291638.db2.gz FHHCUHKBWNXXPX-NSHDSACASA-N 1 0 322.365 1.237 20 5 DDBDRO O=[N+]([O-])c1ccc(OCCC[NH+]2CCC(O)(CO)CC2)cc1 ZINC000595734808 356627286 /nfs/dbraw/zinc/62/72/86/356627286.db2.gz BPPRAPZUWQGMBK-UHFFFAOYSA-N 1 0 310.350 1.183 20 5 DDBDRO O=[N+]([O-])c1cc(CN2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cs1 ZINC000595866384 356684248 /nfs/dbraw/zinc/68/42/48/356684248.db2.gz LFNAITSJJSULQB-CYBMUJFWSA-N 1 0 311.407 1.687 20 5 DDBDRO O=C(NCC12CC(C1)C[NH2+]2)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000595947389 356717850 /nfs/dbraw/zinc/71/78/50/356717850.db2.gz NTCHDBGZOZXRSJ-UHFFFAOYSA-N 1 0 312.329 1.625 20 5 DDBDRO COc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000237147512 202166669 /nfs/dbraw/zinc/16/66/69/202166669.db2.gz TYAKRYNPUYPXRP-VXGBXAGGSA-N 1 0 307.350 1.851 20 5 DDBDRO C[NH2+]C[C@H](C)NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000595981186 356734403 /nfs/dbraw/zinc/73/44/03/356734403.db2.gz AHOVQRKFZPKVNJ-JTQLQIEISA-N 1 0 317.349 1.333 20 5 DDBDRO Cc1cc(C)c(S(=O)(=O)N[C@@]2(C)CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000596052774 356754328 /nfs/dbraw/zinc/75/43/28/356754328.db2.gz YFWYKNSPCMXGHB-ZDUSSCGKSA-N 1 0 313.379 1.242 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CCC(CO)([NH2+]C(C)C)CC2)n1 ZINC000596251821 356833114 /nfs/dbraw/zinc/83/31/14/356833114.db2.gz ZJYBMDJHNGXSMG-UHFFFAOYSA-N 1 0 322.409 1.936 20 5 DDBDRO COc1cc([N+](=O)[O-])c(C(=O)NCCCC[NH3+])cc1SC ZINC000237190071 202182433 /nfs/dbraw/zinc/18/24/33/202182433.db2.gz AISMTECEBIHKCS-UHFFFAOYSA-N 1 0 313.379 1.794 20 5 DDBDRO CC(C)(C)[N@@H+]1CC[C@H]1CNc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596308692 356852879 /nfs/dbraw/zinc/85/28/79/356852879.db2.gz KWWSHGQXBROTPH-NSHDSACASA-N 1 0 306.366 1.978 20 5 DDBDRO CCC[N@H+](C)CC(C)(C)Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000596541442 356912037 /nfs/dbraw/zinc/91/20/37/356912037.db2.gz GAHCMPYZCPUKJH-UHFFFAOYSA-N 1 0 309.370 1.621 20 5 DDBDRO C[NH2+]C[C@H](C)N[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000596654361 356943408 /nfs/dbraw/zinc/94/34/08/356943408.db2.gz JSRRNFNREMKFPZ-FZMZJTMJSA-N 1 0 303.366 1.615 20 5 DDBDRO CN(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)CC1C[NH+](C)C1 ZINC000597202861 357091056 /nfs/dbraw/zinc/09/10/56/357091056.db2.gz KJXIKMAXPYAVJH-UHFFFAOYSA-N 1 0 307.350 1.359 20 5 DDBDRO C[NH+](C)C1(C(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000597264036 357114089 /nfs/dbraw/zinc/11/40/89/357114089.db2.gz JRXFZQHKHWPJAE-NSHDSACASA-N 1 0 319.365 1.097 20 5 DDBDRO COc1c(C(=O)N2CC[C@H]([NH+](C)C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000597701467 357292181 /nfs/dbraw/zinc/29/21/81/357292181.db2.gz UKCSSVNJSBLWFZ-PWSUYJOCSA-N 1 0 307.350 1.768 20 5 DDBDRO Cc1nn(C)c(C(=O)N2CCC[C@@]3(CC[N@H+](C)C3)C2)c1[N+](=O)[O-] ZINC000597717021 357299830 /nfs/dbraw/zinc/29/98/30/357299830.db2.gz WJUGKYMVSQIDGF-HNNXBMFYSA-N 1 0 321.381 1.195 20 5 DDBDRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000597922516 357382341 /nfs/dbraw/zinc/38/23/41/357382341.db2.gz FKLRSAUMPFVPJU-GFCCVEGCSA-N 1 0 321.377 1.963 20 5 DDBDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)c1c([N+](=O)[O-])cnn1C ZINC000598261915 357512478 /nfs/dbraw/zinc/51/24/78/357512478.db2.gz ILQBTOJNEUHMRN-NSHDSACASA-N 1 0 309.370 1.179 20 5 DDBDRO CN(CC1C[NH+](C)C1)C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000598163966 357479575 /nfs/dbraw/zinc/47/95/75/357479575.db2.gz RQOOHZLUXRNMQC-UHFFFAOYSA-N 1 0 309.391 1.707 20 5 DDBDRO CC[C@@H]1CN(C(=O)CCOc2ccccc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000598535795 357624677 /nfs/dbraw/zinc/62/46/77/357624677.db2.gz HPVFURHGIFOIJW-QWHCGFSZSA-N 1 0 321.377 1.963 20 5 DDBDRO C[NH+](C)CCC[C@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])CCO1 ZINC000598546391 357628473 /nfs/dbraw/zinc/62/84/73/357628473.db2.gz VCBIFHLNRDKSOS-ZDUSSCGKSA-N 1 0 321.377 1.778 20 5 DDBDRO COC(=O)c1ccnc(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000598590886 357644330 /nfs/dbraw/zinc/64/43/30/357644330.db2.gz RSDGKCQKFHOFTH-QWRGUYRKSA-N 1 0 320.349 1.815 20 5 DDBDRO O=C(CC[C@H]1CCC[NH2+]C1)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000598665166 357676610 /nfs/dbraw/zinc/67/66/10/357676610.db2.gz TZGJEQFJMHJXBA-CYBMUJFWSA-N 1 0 320.393 1.903 20 5 DDBDRO O=C(NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1cc([N+](=O)[O-])n[nH]1 ZINC000598559702 357631878 /nfs/dbraw/zinc/63/18/78/357631878.db2.gz YOEBPJLMWXUPBA-NSHDSACASA-N 1 0 307.354 1.170 20 5 DDBDRO Cc1ccc(S(=O)(=O)N[C@H]2CCC[NH2+]C2)c(C)c1[N+](=O)[O-] ZINC000598713371 357701200 /nfs/dbraw/zinc/70/12/00/357701200.db2.gz BKPPQPAUOCPDKN-NSHDSACASA-N 1 0 313.379 1.242 20 5 DDBDRO O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000598914396 357756896 /nfs/dbraw/zinc/75/68/96/357756896.db2.gz CAXCRWWDHYONQN-ZANVPECISA-N 1 0 308.313 1.950 20 5 DDBDRO CC(C)c1ccc(C[NH2+]CCN2CC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000599008823 357792166 /nfs/dbraw/zinc/79/21/66/357792166.db2.gz INQOIJXUVVBFKY-CQSZACIVSA-N 1 0 307.394 1.874 20 5 DDBDRO COc1ccc(C[NH2+]CCN(C)CC(F)F)cc1[N+](=O)[O-] ZINC000599024023 357797204 /nfs/dbraw/zinc/79/72/04/357797204.db2.gz XNESGGZZHPEBCC-UHFFFAOYSA-N 1 0 303.309 1.890 20 5 DDBDRO CCOc1ccc([C@@H](C)[NH2+][C@H]2C[C@H](C(N)=O)C2)cc1[N+](=O)[O-] ZINC000599071460 357807445 /nfs/dbraw/zinc/80/74/45/357807445.db2.gz VPEJANURLUQSIL-YUSALJHKSA-N 1 0 307.350 1.908 20 5 DDBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1COCCN1C ZINC000599082685 357809846 /nfs/dbraw/zinc/80/98/46/357809846.db2.gz YHRYJJVNSGXWQN-UKRRQHHQSA-N 1 0 307.394 1.836 20 5 DDBDRO NC(=O)[C@@H]1CCCN1CCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000598991209 357785753 /nfs/dbraw/zinc/78/57/53/357785753.db2.gz WHJMPUYCAMMIPT-NSHDSACASA-N 1 0 312.395 1.086 20 5 DDBDRO O=[N+]([O-])c1cccc2c1ccnc2NCC[N@H+]1CC[C@@H](O)C1 ZINC000599176790 357840388 /nfs/dbraw/zinc/84/03/88/357840388.db2.gz YGERDHNGPZXWMQ-LLVKDONJSA-N 1 0 302.334 1.622 20 5 DDBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H](O)CC1(O)CCC1 ZINC000599404071 357923836 /nfs/dbraw/zinc/92/38/36/357923836.db2.gz GZZFXKDGQNKSGV-HNNXBMFYSA-N 1 0 308.378 1.735 20 5 DDBDRO COC(=O)CCCC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000599395906 357921924 /nfs/dbraw/zinc/92/19/24/357921924.db2.gz MYQFCENERVDRJZ-UHFFFAOYSA-N 1 0 310.354 1.772 20 5 DDBDRO C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000599625808 357997331 /nfs/dbraw/zinc/99/73/31/357997331.db2.gz PRNZPXQAMGHDAE-PUXPGTEJSA-N 1 0 307.350 1.595 20 5 DDBDRO Cc1c(NC(=O)NC2(C[NH3+])CCOCC2)cccc1[N+](=O)[O-] ZINC000599597652 357987629 /nfs/dbraw/zinc/98/76/29/357987629.db2.gz WHFHGLBNWAFFAT-UHFFFAOYSA-N 1 0 308.338 1.533 20 5 DDBDRO COc1ccc(NC(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)cc1[N+](=O)[O-] ZINC000599603042 357989541 /nfs/dbraw/zinc/98/95/41/357989541.db2.gz DDEDVORQHZBGPF-MWLCHTKSSA-N 1 0 308.338 1.865 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)[C@H]2C[C@@H](C(N)=O)C2)c1 ZINC000599652447 358008778 /nfs/dbraw/zinc/00/87/78/358008778.db2.gz MNUKWIRJKPMASO-KLPPZKSPSA-N 1 0 321.333 1.077 20 5 DDBDRO COC(=O)[C@@H]1C[C@@H](C)[N@@H+](CCn2cc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000599688077 358026193 /nfs/dbraw/zinc/02/61/93/358026193.db2.gz HUBGQTLEDXBMQF-ZSBIGDGJSA-N 1 0 310.354 1.453 20 5 DDBDRO C[NH2+]CCOCCNC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000599907421 358078616 /nfs/dbraw/zinc/07/86/16/358078616.db2.gz NZSZCVYQJZKMPQ-LLVKDONJSA-N 1 0 310.354 1.191 20 5 DDBDRO C[C@]1(CO)C[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C[C@@]1(C)CO ZINC000600204049 358155826 /nfs/dbraw/zinc/15/58/26/358155826.db2.gz NYCZTDZRKLJQPL-XKSIXWHQSA-N 1 0 320.389 1.921 20 5 DDBDRO Nc1ccc(N2CCC(CO[C@@H]3CC[NH2+]C3)CC2)nc1[N+](=O)[O-] ZINC000600675324 358279430 /nfs/dbraw/zinc/27/94/30/358279430.db2.gz LAMKCZCVBNGIKA-GFCCVEGCSA-N 1 0 321.381 1.167 20 5 DDBDRO CC(C)[C@@H](CO)[NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000180614974 199185295 /nfs/dbraw/zinc/18/52/95/199185295.db2.gz TWNAWUJVFITCPG-LLVKDONJSA-N 1 0 315.757 1.793 20 5 DDBDRO CCn1nncc1C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000600742626 358304825 /nfs/dbraw/zinc/30/48/25/358304825.db2.gz FRWZFWCTKJLCFA-UHFFFAOYSA-N 1 0 318.337 1.325 20 5 DDBDRO CN1CC[C@@H]([NH+]2CCC(Nc3ccccc3[N+](=O)[O-])CC2)C1=O ZINC000601176420 358434548 /nfs/dbraw/zinc/43/45/48/358434548.db2.gz HMXLSSBKCXITLM-OAHLLOKOSA-N 1 0 318.377 1.702 20 5 DDBDRO COC(=O)c1ccnc(N2CC([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000601193181 358441448 /nfs/dbraw/zinc/44/14/48/358441448.db2.gz ARVOFHQJOJKELC-UHFFFAOYSA-N 1 0 306.322 1.061 20 5 DDBDRO COc1cc(C(=O)N2CCC[C@H]3C[NH2+]CC[C@H]32)ccc1[N+](=O)[O-] ZINC000601558683 358600632 /nfs/dbraw/zinc/60/06/32/358600632.db2.gz ROHIIXWQKMQQQV-QWHCGFSZSA-N 1 0 319.361 1.818 20 5 DDBDRO CCOc1cc(C[NH2+][C@H]2CCC[C@H]2C(=O)NC)ccc1[N+](=O)[O-] ZINC000348146812 283390033 /nfs/dbraw/zinc/39/00/33/283390033.db2.gz FTSYPIIMVFWLNG-OLZOCXBDSA-N 1 0 321.377 1.998 20 5 DDBDRO C[N@@H+]1CCN(c2ccc([N+](=O)[O-])c3cnccc32)[C@@H](CO)C1 ZINC000601979432 358763590 /nfs/dbraw/zinc/76/35/90/358763590.db2.gz FZAVYLXSIBOFLA-LLVKDONJSA-N 1 0 302.334 1.256 20 5 DDBDRO Cc1nn(CCC(=O)N2CC[NH2+]C[C@@H]2C(C)C)c(C)c1[N+](=O)[O-] ZINC000602528452 359028452 /nfs/dbraw/zinc/02/84/52/359028452.db2.gz MYUCJWKAUOSFEC-CYBMUJFWSA-N 1 0 323.397 1.255 20 5 DDBDRO C[NH2+]CCOCCN(C)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000602545039 359037417 /nfs/dbraw/zinc/03/74/17/359037417.db2.gz LQVHVGMLAOAHIS-UHFFFAOYSA-N 1 0 315.757 1.556 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CC3(O)CCCC3)CC2)cn1 ZINC000602546914 359038639 /nfs/dbraw/zinc/03/86/39/359038639.db2.gz MSJFPDRYAAHFNF-UHFFFAOYSA-N 1 0 320.393 1.853 20 5 DDBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)c3c(F)cccc3[N+](=O)[O-])C[C@@H]21 ZINC000602481414 359007784 /nfs/dbraw/zinc/00/77/84/359007784.db2.gz CHLZNUKYHWVTOZ-JBLDHEPKSA-N 1 0 307.325 1.933 20 5 DDBDRO COC[C@@]1(C(=O)NCc2cccc([N+](=O)[O-])c2C)CCCC[NH2+]1 ZINC000602498767 359015253 /nfs/dbraw/zinc/01/52/53/359015253.db2.gz KRTZQTWRDBTBLW-MRXNPFEDSA-N 1 0 321.377 1.678 20 5 DDBDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3cn(C)nc3[N+](=O)[O-])[C@H]2C1 ZINC000602834198 359225364 /nfs/dbraw/zinc/22/53/64/359225364.db2.gz SURUXXNVFAXXPZ-UBHSHLNASA-N 1 0 321.381 1.065 20 5 DDBDRO COCC[NH2+]CCc1cn(Cc2cccc([N+](=O)[O-])c2)nn1 ZINC000603159047 359445654 /nfs/dbraw/zinc/44/56/54/359445654.db2.gz AAWKQODIGJEAGM-UHFFFAOYSA-N 1 0 305.338 1.013 20 5 DDBDRO O=[N+]([O-])c1cccc(OCCn2cc([C@@H]3CCC[NH2+]C3)nn2)c1 ZINC000603200495 359475602 /nfs/dbraw/zinc/47/56/02/359475602.db2.gz IUKOAGLOVMUJNW-GFCCVEGCSA-N 1 0 317.349 1.732 20 5 DDBDRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000186663187 199988185 /nfs/dbraw/zinc/98/81/85/199988185.db2.gz FFYKKAXWWXMLKD-RYUDHWBXSA-N 1 0 307.350 1.478 20 5 DDBDRO CN(CC[N@H+](C)C1CC1)C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000186789982 200011324 /nfs/dbraw/zinc/01/13/24/200011324.db2.gz XKWCBVFNYPZVJU-UHFFFAOYSA-N 1 0 307.350 1.526 20 5 DDBDRO C[C@H]1[NH2+]CCC[C@H]1NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000193492184 291193029 /nfs/dbraw/zinc/19/30/29/291193029.db2.gz BNHFNHXHMIKUBQ-VXGBXAGGSA-N 1 0 307.350 1.620 20 5 DDBDRO C[C@H]1CC[C@@](CO)([N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000187963156 200183682 /nfs/dbraw/zinc/18/36/82/200183682.db2.gz QOYFSAWGCNGBHS-SWLSCSKDSA-N 1 0 309.366 1.239 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H](CC(N)=O)C1CCCCC1 ZINC000348370329 283485795 /nfs/dbraw/zinc/48/57/95/283485795.db2.gz VQECSNJJOIQEQN-LLVKDONJSA-N 1 0 309.370 1.242 20 5 DDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCc2cnccn2)n1 ZINC000358989364 299300402 /nfs/dbraw/zinc/30/04/02/299300402.db2.gz QPUJKAWHJNKVHP-UONOGXRCSA-N 1 0 316.365 1.897 20 5 DDBDRO COc1cc(C[NH2+]C[C@@H]2CC[C@@H](O)C2)c([N+](=O)[O-])cc1OC ZINC000188836599 200310107 /nfs/dbraw/zinc/31/01/07/200310107.db2.gz IZJOCZYUPDMLSO-ZYHUDNBSSA-N 1 0 310.350 1.863 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCC([C@H]2CCCO2)CC1 ZINC000189113328 200351151 /nfs/dbraw/zinc/35/11/51/200351151.db2.gz BUAJUJSNMSBYAL-OAHLLOKOSA-N 1 0 321.377 1.648 20 5 DDBDRO COCC[N@@H+]1CCC[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000609268828 360285874 /nfs/dbraw/zinc/28/58/74/360285874.db2.gz DMCZXQSFKTUQII-CQSZACIVSA-N 1 0 321.377 1.364 20 5 DDBDRO CC(C)[N@H+](C)CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000609583263 360328775 /nfs/dbraw/zinc/32/87/75/360328775.db2.gz CBMHLTUOHSODAT-UHFFFAOYSA-N 1 0 309.322 1.394 20 5 DDBDRO C[C@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)C1CC[NH+](C)CC1 ZINC000609583525 360328796 /nfs/dbraw/zinc/32/87/96/360328796.db2.gz NWANFTVCYYMGAU-LBPRGKRZSA-N 1 0 321.377 1.820 20 5 DDBDRO COc1ccc(CC(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000610208769 360390547 /nfs/dbraw/zinc/39/05/47/360390547.db2.gz KRPRCMCVDQXJMO-YPMHNXCESA-N 1 0 321.377 1.745 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+](C2CC2)C2CCCCC2)c1 ZINC000610367654 360422560 /nfs/dbraw/zinc/42/25/60/360422560.db2.gz PRLKUQMPLYNZDW-OAHLLOKOSA-N 1 0 308.382 1.949 20 5 DDBDRO CC[N@@H+]1CCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000611092509 360621683 /nfs/dbraw/zinc/62/16/83/360621683.db2.gz WSYSCHAEXGWCKF-CYBMUJFWSA-N 1 0 320.393 1.584 20 5 DDBDRO O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3C[C@H](O)C[C@H](O)C3)o2)c1 ZINC000611276809 360687753 /nfs/dbraw/zinc/68/77/53/360687753.db2.gz ONXQBEFZPLJOTO-OKILXGFUSA-N 1 0 318.329 1.782 20 5 DDBDRO C[C@H]1CN(c2cccnc2[N+](=O)[O-])CC[C@H]1[NH+]1CCN(C)CC1 ZINC000611204551 360659144 /nfs/dbraw/zinc/65/91/44/360659144.db2.gz RWTHUGYEDYWDCC-UONOGXRCSA-N 1 0 319.409 1.452 20 5 DDBDRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(c2ccc([N+](=O)[O-])s2)CC1 ZINC000611242447 360676218 /nfs/dbraw/zinc/67/62/18/360676218.db2.gz ABQVLQDSYRZBSF-NSHDSACASA-N 1 0 324.406 1.575 20 5 DDBDRO Cc1c(CC(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000292453033 223090281 /nfs/dbraw/zinc/09/02/81/223090281.db2.gz KZTJBJIGEQKDPR-KGLIPLIRSA-N 1 0 303.362 1.656 20 5 DDBDRO O=C1N[C@H]2CC[N@@H+](CCOc3cccc([N+](=O)[O-])c3)C[C@@H]2CO1 ZINC000281370498 216254297 /nfs/dbraw/zinc/25/42/97/216254297.db2.gz OMZUVAOADKOFOM-RISCZKNCSA-N 1 0 321.333 1.404 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CC[C@@H]([NH3+])C2)c1 ZINC000193231439 201009470 /nfs/dbraw/zinc/00/94/70/201009470.db2.gz OGCUYIKOZFGPBO-MRVPVSSYSA-N 1 0 319.770 1.278 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC1CCC([NH3+])CC1 ZINC000091843305 193115857 /nfs/dbraw/zinc/11/58/57/193115857.db2.gz ZMBVJHLTOODQKW-UHFFFAOYSA-N 1 0 313.379 1.451 20 5 DDBDRO CO[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])c(C)s2)[C@H](C[NH3+])C1 ZINC000359230112 299367112 /nfs/dbraw/zinc/36/71/12/299367112.db2.gz PJKMLQOAZHJWBD-UWVGGRQHSA-N 1 0 313.379 1.543 20 5 DDBDRO C[NH+](C)C1(CNC(=O)c2cc([N+](=O)[O-])cnc2N)CCCCC1 ZINC000349748028 284038966 /nfs/dbraw/zinc/03/89/66/284038966.db2.gz RYNLZOPEMAOZCE-UHFFFAOYSA-N 1 0 321.381 1.566 20 5 DDBDRO Nc1c(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)cc(F)cc1[N+](=O)[O-] ZINC000261753966 203109911 /nfs/dbraw/zinc/10/99/11/203109911.db2.gz JETQATSSZFCENE-AOOOYVTPSA-N 1 0 322.340 1.388 20 5 DDBDRO C[C@H](CC[NH3+])NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000349958124 284119019 /nfs/dbraw/zinc/11/90/19/284119019.db2.gz GTELMBSKTKDECG-SNVBAGLBSA-N 1 0 303.322 1.248 20 5 DDBDRO [NH3+][C@@H](C(=O)NCCc1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000261929334 203155130 /nfs/dbraw/zinc/15/51/30/203155130.db2.gz ZPTRJGXLHYTTRJ-CQSZACIVSA-N 1 0 307.350 1.007 20 5 DDBDRO [NH3+][C@@H]1CCCN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000262280693 203249055 /nfs/dbraw/zinc/24/90/55/203249055.db2.gz XBDFAQBFOCCQFE-LLVKDONJSA-N 1 0 315.333 1.344 20 5 DDBDRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000262733284 203395637 /nfs/dbraw/zinc/39/56/37/203395637.db2.gz IFCCNRHITWPUDR-NWDGAFQWSA-N 1 0 306.366 1.145 20 5 DDBDRO Cc1ccc(S(=O)(=O)N(C)CC(C)(C)C[NH3+])cc1[N+](=O)[O-] ZINC000093873788 193322069 /nfs/dbraw/zinc/32/20/69/193322069.db2.gz OQAAFGHEPKEVTI-UHFFFAOYSA-N 1 0 315.395 1.509 20 5 DDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]Cc2cc[nH]c2)cc1 ZINC000350265977 284176401 /nfs/dbraw/zinc/17/64/01/284176401.db2.gz LVACUWKUFCBEQU-UHFFFAOYSA-N 1 0 309.347 1.486 20 5 DDBDRO COCC[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000264499656 203959842 /nfs/dbraw/zinc/95/98/42/203959842.db2.gz KDWHRFQFTOVDNU-JTQLQIEISA-N 1 0 311.313 1.184 20 5 DDBDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000351251160 284312404 /nfs/dbraw/zinc/31/24/04/284312404.db2.gz GMOQIAAVRLPBOV-PHIMTYICSA-N 1 0 321.381 1.565 20 5 DDBDRO C[C@@H]([NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])C(=O)NCCF ZINC000282750717 217224192 /nfs/dbraw/zinc/22/41/92/217224192.db2.gz NTERRHPYADZKCL-NWDGAFQWSA-N 1 0 311.357 1.980 20 5 DDBDRO Cc1ccc([C@@H](C)[NH2+]CCCOC(=O)NC(N)=O)cc1[N+](=O)[O-] ZINC000271686404 209126425 /nfs/dbraw/zinc/12/64/25/209126425.db2.gz DBNCAFZVHGANIX-SNVBAGLBSA-N 1 0 324.337 1.749 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(N2CC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000266213819 205189373 /nfs/dbraw/zinc/18/93/73/205189373.db2.gz GTFXOHRBDPJVJT-CYBMUJFWSA-N 1 0 321.377 1.762 20 5 DDBDRO C[C@H](CO)[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CCCC1 ZINC000351525012 284361820 /nfs/dbraw/zinc/36/18/20/284361820.db2.gz QOGNVFXFJSMYJZ-LLVKDONJSA-N 1 0 321.377 1.819 20 5 DDBDRO O=C(Cn1ccc([N+](=O)[O-])n1)NCCCCC[NH+]1CCCC1 ZINC000294010180 223816418 /nfs/dbraw/zinc/81/64/18/223816418.db2.gz UVZWCJVUAWTSQN-UHFFFAOYSA-N 1 0 309.370 1.174 20 5 DDBDRO NC(=O)C1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000026218761 182433960 /nfs/dbraw/zinc/43/39/60/182433960.db2.gz QLJJQWRUUMLJPO-UHFFFAOYSA-N 1 0 320.349 1.121 20 5 DDBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000174171678 248360339 /nfs/dbraw/zinc/36/03/39/248360339.db2.gz PKKSOCHOIOREET-CYBMUJFWSA-N 1 0 321.377 1.916 20 5 DDBDRO C[C@H]1CN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@H]1[NH+](C)C ZINC000270553862 248629163 /nfs/dbraw/zinc/62/91/63/248629163.db2.gz CEAULLYODWVWCR-SWLSCSKDSA-N 1 0 320.393 1.440 20 5 DDBDRO C[NH+](C)CCCC1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000270904008 248705681 /nfs/dbraw/zinc/70/56/81/248705681.db2.gz AWIYPQCTKZRING-UHFFFAOYSA-N 1 0 323.397 1.372 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](C)CCCC[NH3+] ZINC000336849738 249255654 /nfs/dbraw/zinc/25/56/54/249255654.db2.gz TWYSSNRQEYYNFF-LLVKDONJSA-N 1 0 315.395 1.699 20 5 DDBDRO CC1(C)[C@H](O)C[C@H]1[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000567352652 304213933 /nfs/dbraw/zinc/21/39/33/304213933.db2.gz JLAWXJDILVNDMY-ZLKJLUDKSA-N 1 0 310.350 1.084 20 5 DDBDRO C[C@H]([NH2+]CC(=O)NCC(F)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284877208 218218472 /nfs/dbraw/zinc/21/84/72/218218472.db2.gz BGKSWLVFLYLYBN-ZETCQYMHSA-N 1 0 302.281 1.209 20 5 DDBDRO C[NH+](C)[C@H]1CCCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000109807596 194288213 /nfs/dbraw/zinc/28/82/13/194288213.db2.gz QEPYVLYDDGQGLU-HNNXBMFYSA-N 1 0 320.393 1.949 20 5 DDBDRO CNc1ccc(C(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000567580355 304227113 /nfs/dbraw/zinc/22/71/13/304227113.db2.gz ZGTZWNJAIRVWMR-CMPLNLGQSA-N 1 0 306.366 1.693 20 5 DDBDRO CCc1nn(C)c(N2C[C@@H](SC)[C@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000340753725 251194244 /nfs/dbraw/zinc/19/42/44/251194244.db2.gz MNYDTHMSHUQLOI-GHMZBOCLSA-N 1 0 313.427 1.373 20 5 DDBDRO C[N@@H+]1CC[C@@H](Cn2nnnc2Sc2ccc([N+](=O)[O-])cc2)C1 ZINC000340745928 251188933 /nfs/dbraw/zinc/18/89/33/251188933.db2.gz SABCAHMFWCZGEE-SNVBAGLBSA-N 1 0 320.378 1.684 20 5 DDBDRO C[C@H](C[C@H]1COCCN1)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000567648394 304232104 /nfs/dbraw/zinc/23/21/04/304232104.db2.gz LEOQPGVDCADQEK-OLZOCXBDSA-N 1 0 309.366 1.330 20 5 DDBDRO CC(C)(C(=O)NC[C@H]1CCC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000269126780 207259830 /nfs/dbraw/zinc/25/98/30/207259830.db2.gz FOTPJDUVEIBWPD-LBPRGKRZSA-N 1 0 305.378 1.988 20 5 DDBDRO C[NH2+]C[C@H]1CCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000063168010 184275742 /nfs/dbraw/zinc/27/57/42/184275742.db2.gz SDLCDPPHLBMZMD-GFCCVEGCSA-N 1 0 313.379 1.357 20 5 DDBDRO [NH3+]CC1CCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000269187033 207306737 /nfs/dbraw/zinc/30/67/37/207306737.db2.gz MISBBVSXMQPXDN-UHFFFAOYSA-N 1 0 311.313 1.310 20 5 DDBDRO COCC[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000330703797 532968442 /nfs/dbraw/zinc/96/84/42/532968442.db2.gz JLUGTVUMVWKBQW-LBPRGKRZSA-N 1 0 311.357 1.886 20 5 DDBDRO C[NH2+][C@H]1CCN(C(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000417184729 533034604 /nfs/dbraw/zinc/03/46/04/533034604.db2.gz CBWZHTVJKIBYFH-NSHDSACASA-N 1 0 308.338 1.107 20 5 DDBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000158157934 197248525 /nfs/dbraw/zinc/24/85/25/197248525.db2.gz HGLSMXDICWRIFL-MRXNPFEDSA-N 1 0 303.362 1.739 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC(C[NH3+])CC1 ZINC000415510192 533140154 /nfs/dbraw/zinc/14/01/54/533140154.db2.gz YJEPEBYFKAOYJQ-UHFFFAOYSA-N 1 0 308.338 1.806 20 5 DDBDRO Cc1nn(C)c(C(=O)N[C@H](C[NH3+])C2CCCCC2)c1[N+](=O)[O-] ZINC000155632590 197073857 /nfs/dbraw/zinc/07/38/57/197073857.db2.gz MJEIQIQTYWSTSU-LLVKDONJSA-N 1 0 309.370 1.274 20 5 DDBDRO C[C@H]1C[NH+](C)C[C@H](C)N1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000155468484 197057774 /nfs/dbraw/zinc/05/77/74/197057774.db2.gz ITJSXGXXTVQNPJ-STQMWFEESA-N 1 0 321.377 1.915 20 5 DDBDRO C[NH+](C)C[C@](C)(O)CNc1nccc2ccc([N+](=O)[O-])cc21 ZINC000413193396 224151521 /nfs/dbraw/zinc/15/15/21/224151521.db2.gz ABYXQHXQIJWMQH-OAHLLOKOSA-N 1 0 304.350 1.868 20 5 DDBDRO Nc1ccc(C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000289214691 220799121 /nfs/dbraw/zinc/79/91/21/220799121.db2.gz KRNAVUMISQCOMY-HNNXBMFYSA-N 1 0 304.350 1.393 20 5 DDBDRO C[NH+](C)CCCC1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000153791691 196909084 /nfs/dbraw/zinc/90/90/84/196909084.db2.gz YDIVXXLOLAMQSY-UHFFFAOYSA-N 1 0 309.370 1.512 20 5 DDBDRO C[C@@H]1CSC[C@H]1[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000352814418 285318249 /nfs/dbraw/zinc/31/82/49/285318249.db2.gz GERDHOXYLIHQBJ-ZWNOBZJWSA-N 1 0 321.402 1.825 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N(C)[C@H](C[NH3+])C1CC1 ZINC000414649313 533223823 /nfs/dbraw/zinc/22/38/23/533223823.db2.gz CIEJHGRTGSSYKC-GFCCVEGCSA-N 1 0 308.338 1.804 20 5 DDBDRO O=C(CNc1ccccc1[N+](=O)[O-])N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000290159931 221457321 /nfs/dbraw/zinc/45/73/21/221457321.db2.gz NXKBDCSSAMVQPL-VXGBXAGGSA-N 1 0 304.350 1.075 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NC1CCC([NH3+])CC1 ZINC000414662126 224369350 /nfs/dbraw/zinc/36/93/50/224369350.db2.gz YQECHZSUKKWAFH-UHFFFAOYSA-N 1 0 308.338 1.995 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NCC[C@H]1CC[NH2+]C1 ZINC000414658102 224369381 /nfs/dbraw/zinc/36/93/81/224369381.db2.gz PSYFXKFJLVLIJM-SNVBAGLBSA-N 1 0 308.338 1.725 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000414661061 224369627 /nfs/dbraw/zinc/36/96/27/224369627.db2.gz WNZHIPPUIXIRNN-MWLCHTKSSA-N 1 0 308.338 1.723 20 5 DDBDRO O=C(N[C@H]1CC[NH2+]C1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000126445341 195839777 /nfs/dbraw/zinc/83/97/77/195839777.db2.gz YPKJVJUPNCDJDI-NSHDSACASA-N 1 0 304.350 1.287 20 5 DDBDRO C[C@H](NC(=O)N1CCCO[C@@H](C[NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC000417146744 533584298 /nfs/dbraw/zinc/58/42/98/533584298.db2.gz YSOPQGHZVBKOAE-FZMZJTMJSA-N 1 0 322.365 1.415 20 5 DDBDRO COc1ccc(CNC(=O)NC2CCC([NH3+])CC2)cc1[N+](=O)[O-] ZINC000417194677 533607732 /nfs/dbraw/zinc/60/77/32/533607732.db2.gz QQGBHEFVJVNPQS-UHFFFAOYSA-N 1 0 322.365 1.673 20 5 DDBDRO COc1ccc(CNC(=O)N[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000417198986 533632150 /nfs/dbraw/zinc/63/21/50/533632150.db2.gz XKVCVBHROFUXIZ-NSHDSACASA-N 1 0 308.338 1.155 20 5 DDBDRO Cc1n[nH]c(C(=O)NCCC[N@H+]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000299565072 533665198 /nfs/dbraw/zinc/66/51/98/533665198.db2.gz USMLODAVLKIVJP-SNVBAGLBSA-N 1 0 309.370 1.621 20 5 DDBDRO CNS(=O)(=O)CC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000568468895 304294057 /nfs/dbraw/zinc/29/40/57/304294057.db2.gz YSODSOLZDQJFQV-SNVBAGLBSA-N 1 0 301.368 1.103 20 5 DDBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CCc2cn[nH]c2)n1 ZINC000353627038 285835384 /nfs/dbraw/zinc/83/53/84/285835384.db2.gz JMRAWMHXOILSQO-STQMWFEESA-N 1 0 304.354 1.830 20 5 DDBDRO Cc1ccc(C(C)(C)[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cn1 ZINC000353634652 285840058 /nfs/dbraw/zinc/84/00/58/285840058.db2.gz MCBBHDITTPYCIE-AWEZNQCLSA-N 1 0 319.365 1.381 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CCC3(CC[NH2+]CC3)CC2)n1 ZINC000569567839 304363760 /nfs/dbraw/zinc/36/37/60/304363760.db2.gz LAUNCZAFAFRNGW-UHFFFAOYSA-N 1 0 321.381 1.417 20 5 DDBDRO O=C(N[C@H]1C[C@@H]1C1CC[NH2+]CC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000361083849 306991820 /nfs/dbraw/zinc/99/18/20/306991820.db2.gz ZMHPLBOVSXBOOU-OLZOCXBDSA-N 1 0 307.325 1.852 20 5 DDBDRO C[NH2+]C[C@@H]1CCN(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000071144353 406833519 /nfs/dbraw/zinc/83/35/19/406833519.db2.gz NSFLAIKYMAVQTQ-NSHDSACASA-N 1 0 313.379 1.133 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000072064512 406873765 /nfs/dbraw/zinc/87/37/65/406873765.db2.gz BPBNUZPXEYORQG-KGLIPLIRSA-N 1 0 319.361 1.496 20 5 DDBDRO CCSCC[C@@H](C)[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000072900678 406886130 /nfs/dbraw/zinc/88/61/30/406886130.db2.gz OCPWBMFZPPXVSR-YPMHNXCESA-N 1 0 316.427 1.616 20 5 DDBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@H]2CN2CCOCC2)cc1 ZINC000075889609 406946494 /nfs/dbraw/zinc/94/64/94/406946494.db2.gz FDPURMBQYBJYJV-KRWDZBQOSA-N 1 0 319.405 1.934 20 5 DDBDRO COc1ccc(C[NH2+][C@H](C)CS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000078640148 407037147 /nfs/dbraw/zinc/03/71/47/407037147.db2.gz ZDRTWCWOLWQSJP-SECBINFHSA-N 1 0 302.352 1.126 20 5 DDBDRO C[C@H]1CN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)[C@@H](C)C[NH2+]1 ZINC000086468654 407112814 /nfs/dbraw/zinc/11/28/14/407112814.db2.gz JITAZQSPHZCTQY-QWRGUYRKSA-N 1 0 313.379 1.107 20 5 DDBDRO Cc1ccc(S(=O)(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)cc1[N+](=O)[O-] ZINC000086468901 407113161 /nfs/dbraw/zinc/11/31/61/407113161.db2.gz NBGFUDNWZRUNMA-QWRGUYRKSA-N 1 0 313.379 1.274 20 5 DDBDRO C[NH+](C)CCCNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000089619565 407141917 /nfs/dbraw/zinc/14/19/17/407141917.db2.gz KZLRHQXSTNCCEY-UHFFFAOYSA-N 1 0 301.368 1.362 20 5 DDBDRO C[NH+](C)CC(C)(C)CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000063680272 407234103 /nfs/dbraw/zinc/23/41/03/407234103.db2.gz BGBVYCKPJDGHJD-UHFFFAOYSA-N 1 0 312.345 1.634 20 5 DDBDRO C[NH+](C)CCN(C(=O)Cn1ccc([N+](=O)[O-])n1)C1CCCCC1 ZINC000065746469 407245306 /nfs/dbraw/zinc/24/53/06/407245306.db2.gz OOEOPEMINWQGGS-UHFFFAOYSA-N 1 0 323.397 1.514 20 5 DDBDRO CC[N@H+](CCNC(=O)NCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000101984964 407318748 /nfs/dbraw/zinc/31/87/48/407318748.db2.gz QMAFBUJCJAOKNG-UHFFFAOYSA-N 1 0 306.366 1.878 20 5 DDBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000126048127 407403574 /nfs/dbraw/zinc/40/35/74/407403574.db2.gz GDPPBWZYJCQJLZ-JSGCOSHPSA-N 1 0 320.393 1.805 20 5 DDBDRO C[C@H](NC(=O)C[NH2+]C[C@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000151460940 407440642 /nfs/dbraw/zinc/44/06/42/407440642.db2.gz ZGGMPMNXDCDSEH-SMDDNHRTSA-N 1 0 307.350 1.541 20 5 DDBDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000261669542 407575182 /nfs/dbraw/zinc/57/51/82/407575182.db2.gz GWUFGFSDXRFEPA-NEPJUHHUSA-N 1 0 306.366 1.593 20 5 DDBDRO CC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2N2CCOC2=O)CC1 ZINC000266091225 407527805 /nfs/dbraw/zinc/52/78/05/407527805.db2.gz DVEVNWYRZFEURT-UHFFFAOYSA-N 1 0 320.349 1.693 20 5 DDBDRO NC(=O)c1ccc(CN2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000261818993 407624297 /nfs/dbraw/zinc/62/42/97/407624297.db2.gz HFCPXORFWQMPAC-YUTCNCBUSA-N 1 0 318.377 1.253 20 5 DDBDRO Cc1nn(CCc2nc(C3([NH3+])CCCC3)no2)c(C)c1[N+](=O)[O-] ZINC000261842626 407639083 /nfs/dbraw/zinc/63/90/83/407639083.db2.gz SCEHOXDZIUPQCL-UHFFFAOYSA-N 1 0 320.353 1.762 20 5 DDBDRO C[C@H]1OCC[C@]1(O)C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000227966870 407641721 /nfs/dbraw/zinc/64/17/21/407641721.db2.gz GJRWTJZLXKFACD-RNCFNFMXSA-N 1 0 300.742 1.878 20 5 DDBDRO COc1cc(C(=O)N2CC[C@H](OC)C[C@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000261866492 407648461 /nfs/dbraw/zinc/64/84/61/407648461.db2.gz KXBLKGNNUNYESD-RYUDHWBXSA-N 1 0 323.349 1.182 20 5 DDBDRO Nc1ccc(C(=O)N(C[C@@H]2CCC[NH2+]2)C2CC2)cc1[N+](=O)[O-] ZINC000186496336 407683087 /nfs/dbraw/zinc/68/30/87/407683087.db2.gz IBSYIZWCKQFEDU-NSHDSACASA-N 1 0 304.350 1.534 20 5 DDBDRO C[C@@H](O)C[C@H]1CCC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000152996108 407730936 /nfs/dbraw/zinc/73/09/36/407730936.db2.gz DWWHCTPMIMPWSH-IUODEOHRSA-N 1 0 321.377 1.793 20 5 DDBDRO COC(=O)CCCN1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000116351748 407747832 /nfs/dbraw/zinc/74/78/32/407747832.db2.gz ZAZKBHAIWKMNAD-UHFFFAOYSA-N 1 0 307.350 1.670 20 5 DDBDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000272179389 407805136 /nfs/dbraw/zinc/80/51/36/407805136.db2.gz DCLSFPXOJDZDGC-JQWIXIFHSA-N 1 0 318.377 1.978 20 5 DDBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000267339938 407841902 /nfs/dbraw/zinc/84/19/02/407841902.db2.gz DJXCKXVTGWECAJ-CYBMUJFWSA-N 1 0 306.366 1.457 20 5 DDBDRO O=C(NC1CC[NH+](CC2CCCC2)CC1)c1[nH]ncc1[N+](=O)[O-] ZINC000179698821 407821563 /nfs/dbraw/zinc/82/15/63/407821563.db2.gz LBEKFWIIRZUUMH-UHFFFAOYSA-N 1 0 321.381 1.702 20 5 DDBDRO O=[N+]([O-])c1cccc(CS(=O)(=O)NC[C@H]2CCC[NH2+]C2)c1 ZINC000237971197 407860138 /nfs/dbraw/zinc/86/01/38/407860138.db2.gz XJFLOFRSUBBVGH-LBPRGKRZSA-N 1 0 313.379 1.014 20 5 DDBDRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000238006919 407869317 /nfs/dbraw/zinc/86/93/17/407869317.db2.gz JMDNTGCSAVTJCD-VXGBXAGGSA-N 1 0 307.350 1.607 20 5 DDBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCC[NH2+]C1 ZINC000238030048 407871390 /nfs/dbraw/zinc/87/13/90/407871390.db2.gz LUXDOJWCWGHZFB-NSHDSACASA-N 1 0 309.391 1.803 20 5 DDBDRO O=C(CN1CC[C@@H]2C[NH2+]C[C@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000262577562 407872227 /nfs/dbraw/zinc/87/22/27/407872227.db2.gz YLAVKEZZWSJXDF-NEPJUHHUSA-N 1 0 304.350 1.075 20 5 DDBDRO O=C(c1n[nH]cc1[N+](=O)[O-])N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000153681760 407877595 /nfs/dbraw/zinc/87/75/95/407877595.db2.gz XJZDMMRPJONMJB-NSHDSACASA-N 1 0 307.354 1.408 20 5 DDBDRO [NH3+]C[C@@H]1CCCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000238066048 407880349 /nfs/dbraw/zinc/88/03/49/407880349.db2.gz UDWBLRJUEBXUOG-LBPRGKRZSA-N 1 0 313.379 1.095 20 5 DDBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000180565512 407901180 /nfs/dbraw/zinc/90/11/80/407901180.db2.gz DEBZACKUKOQYTB-NSHDSACASA-N 1 0 321.381 1.566 20 5 DDBDRO COC(=O)[C@H]1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000153930179 407936649 /nfs/dbraw/zinc/93/66/49/407936649.db2.gz IPAQUJKJTJLGBX-JSGCOSHPSA-N 1 0 308.334 1.513 20 5 DDBDRO CC[C@H](c1ccncc1)[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000245714596 408050273 /nfs/dbraw/zinc/05/02/73/408050273.db2.gz PWTOXOXDNXDGBV-HUUCEWRRSA-N 1 0 319.365 1.630 20 5 DDBDRO Cc1c(CC(=O)NCC[N@@H+]2CCCOCC2)cccc1[N+](=O)[O-] ZINC000189445649 408018379 /nfs/dbraw/zinc/01/83/79/408018379.db2.gz IACJEEYAKQQTDM-UHFFFAOYSA-N 1 0 321.377 1.284 20 5 DDBDRO CC(C)[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)Cn1ccc([N+](=O)[O-])n1)C2 ZINC000174975233 408020078 /nfs/dbraw/zinc/02/00/78/408020078.db2.gz YDLHNZYIRBHLJD-QWHCGFSZSA-N 1 0 321.381 1.265 20 5 DDBDRO Cn1cc(C[N@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])cn1 ZINC000182227594 408099157 /nfs/dbraw/zinc/09/91/57/408099157.db2.gz ZDUIWRIHDVMCGY-ZDUSSCGKSA-N 1 0 320.349 1.200 20 5 DDBDRO O=[N+]([O-])c1cnc(N2CCN(Cc3cccnc3)CC2)s1 ZINC000190311314 408216075 /nfs/dbraw/zinc/21/60/75/408216075.db2.gz TZOUJVHBVRJRSP-UHFFFAOYSA-N 1 0 305.363 1.769 20 5 DDBDRO Cc1c(NC(=O)[C@@H](C)N2CC[C@H](CO)C2)cccc1[N+](=O)[O-] ZINC000269488364 408326238 /nfs/dbraw/zinc/32/62/38/408326238.db2.gz YCYXKXZYWNMJAA-NEPJUHHUSA-N 1 0 307.350 1.544 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000269390660 408292208 /nfs/dbraw/zinc/29/22/08/408292208.db2.gz RHAFSSABJVZSFO-GHMZBOCLSA-N 1 0 321.381 1.798 20 5 DDBDRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)c1ccccc1[N+](=O)[O-] ZINC000269428247 408305522 /nfs/dbraw/zinc/30/55/22/408305522.db2.gz QKWQTGVMNADCKH-CYBMUJFWSA-N 1 0 321.377 1.562 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)C[C@H]1CCC[C@H]1O ZINC000246751963 408332367 /nfs/dbraw/zinc/33/23/67/408332367.db2.gz OOWAGRPRUYSLNB-IUODEOHRSA-N 1 0 321.377 1.935 20 5 DDBDRO C[C@H]([NH2+][C@@H](C)c1cn[nH]c1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000274162999 408313497 /nfs/dbraw/zinc/31/34/97/408313497.db2.gz ZOZHVEYJTHXWGB-UWVGGRQHSA-N 1 0 303.322 1.996 20 5 DDBDRO C[C@@H]([NH3+])CCNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000178638719 286912165 /nfs/dbraw/zinc/91/21/65/286912165.db2.gz VTPUNYLYROSSFU-LLVKDONJSA-N 1 0 306.366 1.662 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000171563662 162225825 /nfs/dbraw/zinc/22/58/25/162225825.db2.gz SMHYGKOMRTWTCG-UHFFFAOYSA-N 1 0 306.366 1.712 20 5 DDBDRO CC[C@H]1CN(Cc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C[C@H](C)O ZINC000247021309 408390812 /nfs/dbraw/zinc/39/08/12/408390812.db2.gz CQQJVZJJQAKOOM-ZFWWWQNUSA-N 1 0 307.394 1.872 20 5 DDBDRO C[C@H](C[NH3+])NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000274402111 408393101 /nfs/dbraw/zinc/39/31/01/408393101.db2.gz GYSALXLYZJQOIY-GFCCVEGCSA-N 1 0 320.393 1.908 20 5 DDBDRO COCCN(CC[NH+](C)C)C(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000269703745 408396649 /nfs/dbraw/zinc/39/66/49/408396649.db2.gz MMPFLVFZMRTZPV-UHFFFAOYSA-N 1 0 323.393 1.482 20 5 DDBDRO CC[C@@H]1CN(Cc2ccccc2[N+](=O)[O-])CC[N@@H+]1C[C@H](C)O ZINC000247392441 408461432 /nfs/dbraw/zinc/46/14/32/408461432.db2.gz XGLYJJYLFLZQPJ-DZGCQCFKSA-N 1 0 307.394 1.872 20 5 DDBDRO CS[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1[NH+](C)C ZINC000270518191 408560730 /nfs/dbraw/zinc/56/07/30/408560730.db2.gz SHGLMNZYYQTNOH-QWHCGFSZSA-N 1 0 309.391 1.712 20 5 DDBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@H](CO)c1ccccc1 ZINC000270563182 408581770 /nfs/dbraw/zinc/58/17/70/408581770.db2.gz KWJGGVPOJBTJMF-OAHLLOKOSA-N 1 0 317.345 1.422 20 5 DDBDRO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000248552607 408583596 /nfs/dbraw/zinc/58/35/96/408583596.db2.gz JCPICLMJHBKONE-BNOWGMLFSA-N 1 0 310.398 1.957 20 5 DDBDRO O=C([C@H]1CC[NH2+]C1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000160921088 408540166 /nfs/dbraw/zinc/54/01/66/408540166.db2.gz MSAVMUOHFNGKAS-LBPRGKRZSA-N 1 0 319.361 1.574 20 5 DDBDRO CC(C)[NH+]1CCC(C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 ZINC000178306886 162654110 /nfs/dbraw/zinc/65/41/10/162654110.db2.gz UKMPRXLCGUSPGJ-UHFFFAOYSA-N 1 0 309.370 1.028 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000161475484 408604313 /nfs/dbraw/zinc/60/43/13/408604313.db2.gz YXTWCJRXMJANDQ-FUNVUKJBSA-N 1 0 321.381 1.231 20 5 DDBDRO CCc1n[nH]c(C(=O)N(C)C[C@H]2CCC[N@H+]2CC)c1[N+](=O)[O-] ZINC000177422176 408610695 /nfs/dbraw/zinc/61/06/95/408610695.db2.gz KAIPTDHCNXJSHP-SNVBAGLBSA-N 1 0 309.370 1.437 20 5 DDBDRO Cc1cnc(N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000275601597 408615413 /nfs/dbraw/zinc/61/54/13/408615413.db2.gz SHSDEBPTEUOFQE-GFCCVEGCSA-N 1 0 308.382 1.580 20 5 DDBDRO C[C@H]1CCC[C@@](CNC(=O)Cn2cc([N+](=O)[O-])cn2)([NH+](C)C)C1 ZINC000193675694 408737722 /nfs/dbraw/zinc/73/77/22/408737722.db2.gz UXYFPKYBNSMFJM-SWLSCSKDSA-N 1 0 323.397 1.418 20 5 DDBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2c([N+](=O)[O-])cnn2C)C1 ZINC000162232081 408681539 /nfs/dbraw/zinc/68/15/39/408681539.db2.gz BNPDGSHLSLYNMD-TXEJJXNPSA-N 1 0 323.397 1.426 20 5 DDBDRO C[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1N)C[NH+]1CCCC1 ZINC000178171364 408783508 /nfs/dbraw/zinc/78/35/08/408783508.db2.gz BMVFYNDHSMHTPV-LLVKDONJSA-N 1 0 306.366 1.639 20 5 DDBDRO CO[C@@H]1C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC[C@@H]1C ZINC000251933776 408790624 /nfs/dbraw/zinc/79/06/24/408790624.db2.gz UBUONCFZSBKOJG-DUVNUKRYSA-N 1 0 324.377 1.691 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@](C)(O)C1 ZINC000177980388 408751000 /nfs/dbraw/zinc/75/10/00/408751000.db2.gz IDWPOWZMNKULKY-HNNXBMFYSA-N 1 0 323.349 1.389 20 5 DDBDRO O=[N+]([O-])c1cnn(CCN2CC[NH+](C3CCCCC3)CC2)c1 ZINC000163033179 408753685 /nfs/dbraw/zinc/75/36/85/408753685.db2.gz FHDZMCDMNLGHGZ-UHFFFAOYSA-N 1 0 307.398 1.742 20 5 DDBDRO COCCOCCOCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000276149343 408823161 /nfs/dbraw/zinc/82/31/61/408823161.db2.gz GDFKCIBKUCBSCF-UHFFFAOYSA-N 1 0 312.366 1.706 20 5 DDBDRO C[N@H+](C[C@@H](O)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1)C1CC1 ZINC000290783058 408831884 /nfs/dbraw/zinc/83/18/84/408831884.db2.gz NFMVQQZZZXPUAD-CQSZACIVSA-N 1 0 317.349 1.308 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])c(OC[C@@H](O)C[N@H+](C)C2CC2)c1 ZINC000290794697 408834568 /nfs/dbraw/zinc/83/45/68/408834568.db2.gz OVLVVBFCSUBFLV-ZDUSSCGKSA-N 1 0 309.366 1.495 20 5 DDBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)[C@H]1COc2ccccc21 ZINC000185578147 162936704 /nfs/dbraw/zinc/93/67/04/162936704.db2.gz ISNNRCFHLBFJMM-SMDDNHRTSA-N 1 0 302.334 1.946 20 5 DDBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000280876168 408851396 /nfs/dbraw/zinc/85/13/96/408851396.db2.gz ZUNTWEIMAUDJGS-MEBBXXQBSA-N 1 0 320.349 1.119 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(NCCN2CC[N@@H+](C)C(C)(C)C2)n1 ZINC000281675613 408909141 /nfs/dbraw/zinc/90/91/41/408909141.db2.gz QHJFQMLIVYIKHS-UHFFFAOYSA-N 1 0 307.398 1.736 20 5 DDBDRO COC(=O)c1cc(C(=O)NC[C@@H]2CCC[N@@H+]2C)cc([N+](=O)[O-])c1 ZINC000194734002 163295740 /nfs/dbraw/zinc/29/57/40/163295740.db2.gz BWJAWHJZWVXONC-LBPRGKRZSA-N 1 0 321.333 1.205 20 5 DDBDRO O=C(NCCC[NH2+]Cc1cccnc1)c1ccc([N+](=O)[O-])o1 ZINC000238048472 163396507 /nfs/dbraw/zinc/39/65/07/163396507.db2.gz JSRAPJGFBGCZCN-UHFFFAOYSA-N 1 0 304.306 1.493 20 5 DDBDRO [NH3+]CC[C@@H]1CCCN(C(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000281958843 408960893 /nfs/dbraw/zinc/96/08/93/408960893.db2.gz MUSUPIBJFAAYEG-LBPRGKRZSA-N 1 0 307.350 1.561 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000277567934 408966022 /nfs/dbraw/zinc/96/60/22/408966022.db2.gz KWUKJXAVIGEOEJ-MNOVXSKESA-N 1 0 319.361 1.958 20 5 DDBDRO O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1CC[NH+](C2CCC2)CC1 ZINC000277635079 408982102 /nfs/dbraw/zinc/98/21/02/408982102.db2.gz BZTUSSDWPAFFPH-UHFFFAOYSA-N 1 0 306.322 1.006 20 5 DDBDRO CC(C)([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1F ZINC000292153629 408990640 /nfs/dbraw/zinc/99/06/40/408990640.db2.gz NTPKIWSXRZVNFS-GFCCVEGCSA-N 1 0 322.340 1.816 20 5 DDBDRO COc1cc(C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)cc([N+](=O)[O-])c1OC ZINC000277699216 408994324 /nfs/dbraw/zinc/99/43/24/408994324.db2.gz WAEKOBZPQUOKJO-GXSJLCMTSA-N 1 0 323.349 1.340 20 5 DDBDRO CSC[C@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000292297396 409019532 /nfs/dbraw/zinc/01/95/32/409019532.db2.gz CXSYZMMMOCSARM-LBPRGKRZSA-N 1 0 311.407 1.832 20 5 DDBDRO COC(=O)c1cc(C)nc(N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c1[N+](=O)[O-] ZINC000287539738 409051701 /nfs/dbraw/zinc/05/17/01/409051701.db2.gz BOBLQPLRUFRBLN-PHIMTYICSA-N 1 0 320.349 1.083 20 5 DDBDRO C[NH2+][C@H](C)CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000283297674 409131001 /nfs/dbraw/zinc/13/10/01/409131001.db2.gz HNAIIIHBEXBDIV-GFCCVEGCSA-N 1 0 320.393 1.923 20 5 DDBDRO Cc1nn(CCC(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)c(C)c1[N+](=O)[O-] ZINC000293262975 409078817 /nfs/dbraw/zinc/07/88/17/409078817.db2.gz GFVFLYWDUJWQAQ-CHWSQXEVSA-N 1 0 321.381 1.009 20 5 DDBDRO C[C@@]1(C(N)=O)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000280274024 409282777 /nfs/dbraw/zinc/28/27/77/409282777.db2.gz MWOGCSFGFNYAOQ-CYBMUJFWSA-N 1 0 308.294 1.200 20 5 DDBDRO COc1ccc(C[NH2+]CC(=O)NCC(F)F)cc1[N+](=O)[O-] ZINC000280346625 409295723 /nfs/dbraw/zinc/29/57/23/409295723.db2.gz RYVDFKHIMUJFMV-UHFFFAOYSA-N 1 0 303.265 1.074 20 5 DDBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H](CO)[C@@H]2CCOC2)c(Cl)c1 ZINC000280427142 409310658 /nfs/dbraw/zinc/31/06/58/409310658.db2.gz ZUXHPEDLBNTHKG-VXGBXAGGSA-N 1 0 314.769 1.983 20 5 DDBDRO CC[NH+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C)CC1 ZINC000290184204 409315421 /nfs/dbraw/zinc/31/54/21/409315421.db2.gz LLIMXBONUULWER-UHFFFAOYSA-N 1 0 316.365 1.532 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NCC[N@H+]1CC=CCC1 ZINC000280468400 409317661 /nfs/dbraw/zinc/31/76/61/409317661.db2.gz GGDSIIOABBDMPE-UHFFFAOYSA-N 1 0 320.349 1.987 20 5 DDBDRO C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)[C@@H]1CCN2CCO[C@H]1C2 ZINC000295281811 409412130 /nfs/dbraw/zinc/41/21/30/409412130.db2.gz DACTUVICCOTKAH-CABCVRRESA-N 1 0 309.341 1.639 20 5 DDBDRO O=[N+]([O-])c1c(NCC[NH+]2CCC(O)CC2)nc2sccn21 ZINC000296052859 409414039 /nfs/dbraw/zinc/41/40/39/409414039.db2.gz QMNQKQFTKSMKCR-UHFFFAOYSA-N 1 0 311.367 1.173 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000322339189 164047096 /nfs/dbraw/zinc/04/70/96/164047096.db2.gz BPZNZCQJDOXCJM-GHMZBOCLSA-N 1 0 320.349 1.815 20 5 DDBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000285489388 409463975 /nfs/dbraw/zinc/46/39/75/409463975.db2.gz INYUAUSKDDOWIX-UKRRQHHQSA-N 1 0 320.393 1.315 20 5 DDBDRO O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000290640197 409474171 /nfs/dbraw/zinc/47/41/71/409474171.db2.gz RBMHTCQPEXEJFO-ZJUUUORDSA-N 1 0 309.753 1.930 20 5 DDBDRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])nn1C ZINC000356715587 409547602 /nfs/dbraw/zinc/54/76/02/409547602.db2.gz SEZIUXJWURPXQU-LBPRGKRZSA-N 1 0 323.397 1.569 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)N[C@@H](C)C[N@@H+](C)C(C)C)c1[N+](=O)[O-] ZINC000356757587 409578676 /nfs/dbraw/zinc/57/86/76/409578676.db2.gz ADFBHCKBVNGQST-JTQLQIEISA-N 1 0 311.386 1.900 20 5 DDBDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000356843274 409654562 /nfs/dbraw/zinc/65/45/62/409654562.db2.gz GIBLQKDZLQTATP-QWHCGFSZSA-N 1 0 320.393 1.582 20 5 DDBDRO [NH3+]C1(CNC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CCC1 ZINC000342578057 409738408 /nfs/dbraw/zinc/73/84/08/409738408.db2.gz BUVHAERRGDTXHL-UHFFFAOYSA-N 1 0 315.333 1.392 20 5 DDBDRO COc1ccc(NC(=O)[C@H](C)N2CCC[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000346090918 409774475 /nfs/dbraw/zinc/77/44/75/409774475.db2.gz LEFCTYHUVDSRFV-QWRGUYRKSA-N 1 0 322.365 1.354 20 5 DDBDRO CC(C)(CN1CCOCC1)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000308648047 409781156 /nfs/dbraw/zinc/78/11/56/409781156.db2.gz PTVPPTCUHYJSBV-UHFFFAOYSA-N 1 0 323.393 1.674 20 5 DDBDRO CNc1ccc(C(=O)N2CCC[C@@H]2C[NH+](C)C)cc1[N+](=O)[O-] ZINC000315158745 409840622 /nfs/dbraw/zinc/84/06/22/409840622.db2.gz FQUPOAFZZGPIJQ-GFCCVEGCSA-N 1 0 306.366 1.803 20 5 DDBDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000357005085 409784542 /nfs/dbraw/zinc/78/45/42/409784542.db2.gz QVOWUVYVELQHLJ-QWHCGFSZSA-N 1 0 320.393 1.582 20 5 DDBDRO Cc1c(NC(=O)[C@@H](C)N2CCC[C@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000346104232 409785005 /nfs/dbraw/zinc/78/50/05/409785005.db2.gz WFQAIZNYNRBTSV-NEPJUHHUSA-N 1 0 306.366 1.653 20 5 DDBDRO O=C(NCC1CC[NH2+]CC1)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000297225999 409864261 /nfs/dbraw/zinc/86/42/61/409864261.db2.gz OJLYUMDLCFZZNW-UHFFFAOYSA-N 1 0 302.334 1.806 20 5 DDBDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C[C@@H](C)C1 ZINC000346229488 409869874 /nfs/dbraw/zinc/86/98/74/409869874.db2.gz MBNUOODYTMMJMR-UMNHJUIQSA-N 1 0 307.354 1.120 20 5 DDBDRO C[C@@H]1C[C@H](Nc2nccc(C(N)=O)c2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000357513634 410078415 /nfs/dbraw/zinc/07/84/15/410078415.db2.gz NPRREUVXTCNYLQ-BDAKNGLRSA-N 1 0 305.338 1.126 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NCC[NH+](C)C)c1 ZINC000351805764 410248481 /nfs/dbraw/zinc/24/84/81/410248481.db2.gz XFPZKLJIPZZNFX-UHFFFAOYSA-N 1 0 301.368 1.052 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[N@@H+](C)CC1 ZINC000298652061 410330027 /nfs/dbraw/zinc/33/00/27/410330027.db2.gz DCZUSJFLRPDFBH-UHFFFAOYSA-N 1 0 306.366 1.479 20 5 DDBDRO C[NH+](C)CCNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000298780721 410396706 /nfs/dbraw/zinc/39/67/06/410396706.db2.gz NUZFYMDCXOLMII-UHFFFAOYSA-N 1 0 306.366 1.804 20 5 DDBDRO C[N@@H+]1CCCN(C(=O)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000298788834 410400331 /nfs/dbraw/zinc/40/03/31/410400331.db2.gz RGTDTMCKGRWDQA-UHFFFAOYSA-N 1 0 307.350 1.528 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000352013312 410411825 /nfs/dbraw/zinc/41/18/25/410411825.db2.gz IPRQUWYDWRMPJD-GHMZBOCLSA-N 1 0 309.370 1.041 20 5 DDBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2c([N+](=O)[O-])cnn2C)C[C@H]1C ZINC000347534899 410601081 /nfs/dbraw/zinc/60/10/81/410601081.db2.gz ZSUSDZOMYRKDBF-MNOVXSKESA-N 1 0 309.370 1.273 20 5 DDBDRO CNC(=O)c1ccc(N[C@H]2CCC[N@H+](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000343596267 410560959 /nfs/dbraw/zinc/56/09/59/410560959.db2.gz GVJTXWZAQRMWTG-PWSUYJOCSA-N 1 0 306.366 1.849 20 5 DDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000301141815 410663324 /nfs/dbraw/zinc/66/33/24/410663324.db2.gz GJEZGCXXQDFVSN-CYBMUJFWSA-N 1 0 318.377 1.629 20 5 DDBDRO CC(C)[N@H+](C)CCNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000301145519 410663482 /nfs/dbraw/zinc/66/34/82/410663482.db2.gz LHCIIPWZTCJQDS-UHFFFAOYSA-N 1 0 305.338 1.996 20 5 DDBDRO C[C@@H](C[NH3+])NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000347608576 410628324 /nfs/dbraw/zinc/62/83/24/410628324.db2.gz CPBGKWXRVIPJMK-ZETCQYMHSA-N 1 0 321.255 1.613 20 5 DDBDRO COc1c(C(=O)N(C)CC[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000355671584 410632936 /nfs/dbraw/zinc/63/29/36/410632936.db2.gz JHXMBVJMGBTJAM-UHFFFAOYSA-N 1 0 307.350 1.771 20 5 DDBDRO CCN(CC[NH+]1CCCCCC1)c1ncc([N+](=O)[O-])c(N)n1 ZINC000343786141 410698733 /nfs/dbraw/zinc/69/87/33/410698733.db2.gz JMTZYAGZPQZJQK-UHFFFAOYSA-N 1 0 308.386 1.669 20 5 DDBDRO C[C@@H]1[C@H](C)N(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000337299226 410700314 /nfs/dbraw/zinc/70/03/14/410700314.db2.gz MGDUOFBPHNPWIR-OLZOCXBDSA-N 1 0 320.393 1.948 20 5 DDBDRO COc1cc(CN2C[C@H]3C[NH2+]C[C@H]3C2)c([N+](=O)[O-])cc1OC ZINC000359479102 410682462 /nfs/dbraw/zinc/68/24/62/410682462.db2.gz XRCOXJZFKHCCIY-TXEJJXNPSA-N 1 0 307.350 1.263 20 5 DDBDRO Cc1nc(N2CCC[C@@H]2C[N@@H+]2CCC[C@H]2CO)ccc1[N+](=O)[O-] ZINC000301662800 410766770 /nfs/dbraw/zinc/76/67/70/410766770.db2.gz NDSWHYVPUMRNEH-KGLIPLIRSA-N 1 0 320.393 1.724 20 5 DDBDRO Cc1nc(N2CCC(C[NH+]3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000301673593 410769399 /nfs/dbraw/zinc/76/93/99/410769399.db2.gz ZZVKLYDIGNEHTF-UHFFFAOYSA-N 1 0 320.393 1.847 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1CC[NH2+][C@@H]1C(C)C ZINC000353176483 410829701 /nfs/dbraw/zinc/82/97/01/410829701.db2.gz GUQAROZPTASMSW-UKRRQHHQSA-N 1 0 321.377 1.854 20 5 DDBDRO O=C(C[NH+]1CCCC1)N1CCN(c2sccc2[N+](=O)[O-])CC1 ZINC000301993565 410836366 /nfs/dbraw/zinc/83/63/66/410836366.db2.gz OOENVQYYQRVZCY-UHFFFAOYSA-N 1 0 324.406 1.401 20 5 DDBDRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1cc([N+](=O)[O-])nn1C ZINC000356145987 410860453 /nfs/dbraw/zinc/86/04/53/410860453.db2.gz GVBMEKZTXNYLLS-NSHDSACASA-N 1 0 311.386 1.569 20 5 DDBDRO C[NH+](C)CCC1CCN(C(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000353532424 411050628 /nfs/dbraw/zinc/05/06/28/411050628.db2.gz UYWPNBVVEJAOHH-UHFFFAOYSA-N 1 0 321.381 1.376 20 5 DDBDRO C[N@H+](CCc1ccccc1O)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000344230936 411043591 /nfs/dbraw/zinc/04/35/91/411043591.db2.gz YYCHRQHRAPDORL-CQSZACIVSA-N 1 0 320.349 1.032 20 5 DDBDRO CN(CC(=O)NC1CCC([NH3+])CC1)c1ccccc1[N+](=O)[O-] ZINC000131804843 196200025 /nfs/dbraw/zinc/20/00/25/196200025.db2.gz XMFYHQYXXQOQPH-UHFFFAOYSA-N 1 0 306.366 1.417 20 5 DDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000132324242 196245482 /nfs/dbraw/zinc/24/54/82/196245482.db2.gz CXADMCIPOVCRHA-MNOVXSKESA-N 1 0 313.379 1.261 20 5 DDBDRO C[NH2+][C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000133070775 196309350 /nfs/dbraw/zinc/30/93/50/196309350.db2.gz LYRTWMKDLDHYOU-MRVPVSSYSA-N 1 0 319.770 1.231 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000417188109 225237587 /nfs/dbraw/zinc/23/75/87/225237587.db2.gz VLALHJLEJXCORB-QWRGUYRKSA-N 1 0 322.365 1.495 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)n1 ZINC000366219551 418444710 /nfs/dbraw/zinc/44/47/10/418444710.db2.gz AVNJTWPKCFRRNP-GXTWGEPZSA-N 1 0 306.366 1.334 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(N2CCC[N@@H+](C3CCOCC3)CC2)n1 ZINC000366220286 418444941 /nfs/dbraw/zinc/44/49/41/418444941.db2.gz UKQBGVMVAOBKFG-UHFFFAOYSA-N 1 0 320.393 1.989 20 5 DDBDRO Cc1ccnc(N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c1[N+](=O)[O-] ZINC000374234456 418509138 /nfs/dbraw/zinc/50/91/38/418509138.db2.gz OVLPXKULEALOJG-OLZOCXBDSA-N 1 0 306.366 1.334 20 5 DDBDRO CNc1c(C(=O)NCC2=CC[N@H+](C)CC2)cccc1[N+](=O)[O-] ZINC000360947972 418552649 /nfs/dbraw/zinc/55/26/49/418552649.db2.gz YVPOPTRTGSFHNP-UHFFFAOYSA-N 1 0 304.350 1.628 20 5 DDBDRO COCCO[C@@H]1CCN(Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000189726061 222053316 /nfs/dbraw/zinc/05/33/16/222053316.db2.gz VAJMSNPBWLGNAJ-CQSZACIVSA-N 1 0 310.350 1.841 20 5 DDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000382483471 418731601 /nfs/dbraw/zinc/73/16/01/418731601.db2.gz XZJSQDGJURDMMX-MNOVXSKESA-N 1 0 313.379 1.309 20 5 DDBDRO [NH3+]CC[C@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C(F)F ZINC000383504179 418733457 /nfs/dbraw/zinc/73/34/57/418733457.db2.gz RGIYEOOGBTZYMD-VIFPVBQESA-N 1 0 307.684 1.961 20 5 DDBDRO Cc1c([C@@H](C)[NH2+]CCNc2cnccn2)cccc1[N+](=O)[O-] ZINC000361980120 418733911 /nfs/dbraw/zinc/73/39/11/418733911.db2.gz HGAUBZMMJUHLPD-GFCCVEGCSA-N 1 0 301.350 2.456 20 5 DDBDRO CCO[C@@H]1COCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000362019684 418740232 /nfs/dbraw/zinc/74/02/32/418740232.db2.gz VOSBJXDNBKUJSD-UKRRQHHQSA-N 1 0 310.350 1.887 20 5 DDBDRO C[C@@H]1COCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000371105293 418762829 /nfs/dbraw/zinc/76/28/29/418762829.db2.gz BIFRNKNGKQODLZ-LBPRGKRZSA-N 1 0 307.350 1.892 20 5 DDBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000371544166 418799861 /nfs/dbraw/zinc/79/98/61/418799861.db2.gz DPLVYQAWWQXUDN-DZGCQCFKSA-N 1 0 303.362 1.690 20 5 DDBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2COCCN2)c1 ZINC000423012365 227311544 /nfs/dbraw/zinc/31/15/44/227311544.db2.gz KNGFLZCDTPYVFV-BRWVUGGUSA-N 1 0 319.405 1.884 20 5 DDBDRO C[C@@H]([NH3+])C[C@@H](C)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000423038566 227324990 /nfs/dbraw/zinc/32/49/90/227324990.db2.gz OMGSLKVDBCJGQN-GHMZBOCLSA-N 1 0 315.395 1.084 20 5 DDBDRO COc1ccc(OCC[N@@H+]2C[C@H](O)C3(CC3)C2)c([N+](=O)[O-])c1 ZINC000372300008 418852603 /nfs/dbraw/zinc/85/26/03/418852603.db2.gz FUKUICNZNQNVDF-AWEZNQCLSA-N 1 0 308.334 1.439 20 5 DDBDRO C[C@H](CO)[N@@H+]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000372721317 418894620 /nfs/dbraw/zinc/89/46/20/418894620.db2.gz CVHRRJULWGBCJU-CYBMUJFWSA-N 1 0 321.377 1.052 20 5 DDBDRO C[C@@H](CO)[N@@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000372733277 418896890 /nfs/dbraw/zinc/89/68/90/418896890.db2.gz WIKCEHODRVPCBF-LBPRGKRZSA-N 1 0 307.350 1.124 20 5 DDBDRO Nc1ccc(C(=O)N2CC[C@]3(CCC[C@H]3[NH3+])C2)cc1[N+](=O)[O-] ZINC000372777297 418900751 /nfs/dbraw/zinc/90/07/51/418900751.db2.gz UNCLBLGMNPFRSY-UKRRQHHQSA-N 1 0 304.350 1.521 20 5 DDBDRO COCC[C@@H]1COCCN1Cc1ccc([N+](=O)[O-])cc1OC ZINC000365837093 418914712 /nfs/dbraw/zinc/91/47/12/418914712.db2.gz JLFHZPANUACPSG-CQSZACIVSA-N 1 0 310.350 1.841 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCc1nc(C2([NH3+])CCCCC2)no1 ZINC000424349861 228259340 /nfs/dbraw/zinc/25/93/40/228259340.db2.gz WQVIQMVYGMLTHH-UHFFFAOYSA-N 1 0 320.353 1.844 20 5 DDBDRO C[C@@H]1[NH2+]CCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000417931718 419396937 /nfs/dbraw/zinc/39/69/37/419396937.db2.gz CERXWWVYFLVHCQ-RYUDHWBXSA-N 1 0 306.366 1.529 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2C[C@H](O)C[C@H]2c2ccccc2)n1 ZINC000411948337 419513489 /nfs/dbraw/zinc/51/34/89/419513489.db2.gz PQNWEPGZLRNRRD-KGLIPLIRSA-N 1 0 302.334 1.599 20 5 DDBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000421710851 419698005 /nfs/dbraw/zinc/69/80/05/419698005.db2.gz MPYIWBCGLGVTPM-LLVKDONJSA-N 1 0 321.333 1.490 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)C[C@H]1CCC[NH2+]CC1 ZINC000427333602 419641981 /nfs/dbraw/zinc/64/19/81/419641981.db2.gz AOYXBFHRFCXUEM-LBPRGKRZSA-N 1 0 321.377 1.999 20 5 DDBDRO CC[NH+](CC)CCN(CCOC)c1ncc([N+](=O)[O-])cc1F ZINC000413170631 419772216 /nfs/dbraw/zinc/77/22/16/419772216.db2.gz CIMQDBQZQLEKPP-UHFFFAOYSA-N 1 0 314.361 1.924 20 5 DDBDRO CNc1nc(C(=O)NC2CCC([NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000422005915 419803168 /nfs/dbraw/zinc/80/31/68/419803168.db2.gz KKEVXSNEULZOGQ-UHFFFAOYSA-N 1 0 321.381 1.634 20 5 DDBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CC[NH2+]C[C@@H]1C ZINC000414948173 419887479 /nfs/dbraw/zinc/88/74/79/419887479.db2.gz XWMKGLSEEIGUCZ-ZOWXZIJZSA-N 1 0 320.393 1.900 20 5 DDBDRO CC[NH2+]CCN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000423237875 419994199 /nfs/dbraw/zinc/99/41/99/419994199.db2.gz QGUNENLIWFTQMW-AWEZNQCLSA-N 1 0 303.366 1.617 20 5 DDBDRO C[C@@H](CCC[NH3+])NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000418688631 419936406 /nfs/dbraw/zinc/93/64/06/419936406.db2.gz NPKSQGYBTPQSRK-NSHDSACASA-N 1 0 306.366 1.790 20 5 DDBDRO COc1cc(C(=O)N2CC[C@@H](C[NH3+])C2)cc([N+](=O)[O-])c1OC ZINC000429067408 419967870 /nfs/dbraw/zinc/96/78/70/419967870.db2.gz ZEZRNODUBQXRKK-VIFPVBQESA-N 1 0 309.322 1.033 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000415584926 420119488 /nfs/dbraw/zinc/11/94/88/420119488.db2.gz XCOWLSHUGCQPHP-MNOVXSKESA-N 1 0 320.349 1.037 20 5 DDBDRO COC(=O)c1cc(NC(=O)N[C@@H](C)C[NH3+])c(C)c([N+](=O)[O-])c1 ZINC000415602057 420122674 /nfs/dbraw/zinc/12/26/74/420122674.db2.gz QSEUADRGZYRVLY-ZETCQYMHSA-N 1 0 310.310 1.159 20 5 DDBDRO [NH3+]C[C@H]1CCCN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000430564929 420141355 /nfs/dbraw/zinc/14/13/55/420141355.db2.gz NMUUABDOLWSWGP-GFCCVEGCSA-N 1 0 303.322 1.568 20 5 DDBDRO CC1(C)C[C@@H]([NH2+]C[C@@H]2CNCCO2)c2cc([N+](=O)[O-])ccc21 ZINC000423580175 420087208 /nfs/dbraw/zinc/08/72/08/420087208.db2.gz XHTIRRHKOZJKPL-SWLSCSKDSA-N 1 0 305.378 1.895 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](CC[NH3+])C(F)F ZINC000415491733 420088449 /nfs/dbraw/zinc/08/84/49/420088449.db2.gz BHOWKVJTYPTTIA-SECBINFHSA-N 1 0 318.280 1.707 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC000415502113 420092188 /nfs/dbraw/zinc/09/21/88/420092188.db2.gz MVMDTDPJOQWCEV-GFCCVEGCSA-N 1 0 308.338 1.865 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@H](C)C[C@H]1C[NH3+] ZINC000420328708 420213028 /nfs/dbraw/zinc/21/30/28/420213028.db2.gz FLJPCWOESYKFGW-FZMZJTMJSA-N 1 0 320.393 1.901 20 5 DDBDRO C[NH2+]C1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000430936484 420215288 /nfs/dbraw/zinc/21/52/88/420215288.db2.gz YWGOVBSHYLXAQG-UHFFFAOYSA-N 1 0 320.393 1.916 20 5 DDBDRO C[C@H]1C[C@@H](C[NH3+])CN1c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000420211834 420153150 /nfs/dbraw/zinc/15/31/50/420153150.db2.gz FWGNFMRXWYJERP-UWVGGRQHSA-N 1 0 303.322 1.818 20 5 DDBDRO CC1(C)CCC[NH2+][C@H]1CNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000430653790 420171564 /nfs/dbraw/zinc/17/15/64/420171564.db2.gz ZVRJIEJCSKMCRF-AWEZNQCLSA-N 1 0 320.393 1.901 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC([C@H](C)[NH3+])CC1 ZINC000430968652 420228902 /nfs/dbraw/zinc/22/89/02/420228902.db2.gz ZBPRHLPXLTZDCY-LBPRGKRZSA-N 1 0 320.393 1.901 20 5 DDBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000420375164 420245580 /nfs/dbraw/zinc/24/55/80/420245580.db2.gz SSIHHPBKSPFSLJ-ZETOZRRWSA-N 1 0 306.366 1.509 20 5 DDBDRO COc1cccc(C(=O)N[C@H](C[NH3+])C2CCCC2)c1[N+](=O)[O-] ZINC000423961908 420283873 /nfs/dbraw/zinc/28/38/73/420283873.db2.gz OEOLVWZHYJXOJJ-GFCCVEGCSA-N 1 0 307.350 1.851 20 5 DDBDRO C[C@]1(F)C[NH2+]CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000420336904 420219117 /nfs/dbraw/zinc/21/91/17/420219117.db2.gz QLOBWFSUOADVTC-HNNXBMFYSA-N 1 0 324.356 1.557 20 5 DDBDRO C[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C[C@@H]1C[NH3+] ZINC000420478902 420308655 /nfs/dbraw/zinc/30/86/55/420308655.db2.gz MFSCNNQAKAFIIC-BDAKNGLRSA-N 1 0 319.408 1.262 20 5 DDBDRO C[C@H](CNc1c(C(N)=O)cccc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000420589967 420324000 /nfs/dbraw/zinc/32/40/00/420324000.db2.gz USAHFSCIUVXTMJ-LLVKDONJSA-N 1 0 306.366 1.838 20 5 DDBDRO C[NH+](C)[C@]1(CNc2c(C(N)=O)cccc2[N+](=O)[O-])CCSC1 ZINC000420607240 420329090 /nfs/dbraw/zinc/32/90/90/420329090.db2.gz ZUFDWIVVRIKJEE-AWEZNQCLSA-N 1 0 324.406 1.543 20 5 DDBDRO C[C@@H](CCC[NH3+])NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000420450088 420295018 /nfs/dbraw/zinc/29/50/18/420295018.db2.gz YETHDAHOAQGJFB-NSHDSACASA-N 1 0 315.395 1.184 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N(C)C1CC([NH3+])C1 ZINC000420461921 420302034 /nfs/dbraw/zinc/30/20/34/420302034.db2.gz HJYRBDZSRMDWJM-UHFFFAOYSA-N 1 0 313.379 1.322 20 5 DDBDRO C[C@@H]1CN(C(=O)NCCc2ccccc2[N+](=O)[O-])[C@H](C)C[NH2+]1 ZINC000417760555 420470501 /nfs/dbraw/zinc/47/05/01/420470501.db2.gz GIFQITUCTDURAG-VXGBXAGGSA-N 1 0 306.366 1.529 20 5 DDBDRO [NH3+][C@H](CNC(=O)NCCCCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000417711992 420457819 /nfs/dbraw/zinc/45/78/19/420457819.db2.gz FIZDFIZSWNLKBC-OAHLLOKOSA-N 1 0 320.393 1.954 20 5 DDBDRO CCc1nn(C)c(NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c1[N+](=O)[O-] ZINC000450792102 420532812 /nfs/dbraw/zinc/53/28/12/420532812.db2.gz NLQNDLJCZXBWCS-PHIMTYICSA-N 1 0 309.370 1.166 20 5 DDBDRO CC[NH+](CC)CC[C@H](CO)NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000439016824 420476170 /nfs/dbraw/zinc/47/61/70/420476170.db2.gz BYBZCPLJGOZPKA-CYBMUJFWSA-N 1 0 324.381 1.809 20 5 DDBDRO NC(=O)c1cccc(N2CCC([NH+]3CCCC3)CC2)c1[N+](=O)[O-] ZINC000439096131 420478999 /nfs/dbraw/zinc/47/89/99/420478999.db2.gz GPFUBTMHYHETJD-UHFFFAOYSA-N 1 0 318.377 1.758 20 5 DDBDRO CCCc1n[nH]c(C(=O)NCC[N@@H+]2CCCC2(C)C)c1[N+](=O)[O-] ZINC000457083095 420605458 /nfs/dbraw/zinc/60/54/58/420605458.db2.gz XEIFQYWQWREILM-UHFFFAOYSA-N 1 0 323.397 1.875 20 5 DDBDRO CC(C)[C@@H]1C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1C(C)C ZINC000453041971 420706188 /nfs/dbraw/zinc/70/61/88/420706188.db2.gz SBRBRONHRZNGNX-SOUVJXGZSA-N 1 0 310.398 1.765 20 5 DDBDRO C[C@@H]1C[C@H](C[NH3+])CN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000442784638 420714974 /nfs/dbraw/zinc/71/49/74/420714974.db2.gz SFDVHKHNJODMRN-GHMZBOCLSA-N 1 0 317.349 1.814 20 5 DDBDRO COc1cc(C[NH2+]C[C@]2(C)CCC(=O)N2)c([N+](=O)[O-])cc1OC ZINC000453591990 420733276 /nfs/dbraw/zinc/73/32/76/420733276.db2.gz SCPIEEUPXKWYOX-HNNXBMFYSA-N 1 0 323.349 1.370 20 5 DDBDRO C[C@H]([NH2+][C@H](CO)[C@H]1CCCO1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000447917360 420817937 /nfs/dbraw/zinc/81/79/37/420817937.db2.gz QVUFAMOQWOPFKH-ZKYQVNSYSA-N 1 0 323.349 1.051 20 5 DDBDRO CCC[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])c(NC)n2)CC1 ZINC000454332199 420839646 /nfs/dbraw/zinc/83/96/46/420839646.db2.gz VBCUZIGRWPFVDB-UHFFFAOYSA-N 1 0 321.381 1.636 20 5 DDBDRO O=C(/C=C\c1ccc(F)cc1[N+](=O)[O-])N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000493677388 420913012 /nfs/dbraw/zinc/91/30/12/420913012.db2.gz UNGKMRIQCAMURI-OGBTUMDISA-N 1 0 319.336 1.958 20 5 DDBDRO O=[N+]([O-])c1ccccc1OCC[NH2+]C1(CO)CCSCC1 ZINC000459704758 420850366 /nfs/dbraw/zinc/85/03/66/420850366.db2.gz GDJRRFUYIKXMTM-UHFFFAOYSA-N 1 0 312.391 1.821 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](O)COCC1CC1 ZINC000449115946 420953013 /nfs/dbraw/zinc/95/30/13/420953013.db2.gz JIJJHTVDPDBUBT-IUODEOHRSA-N 1 0 308.378 1.903 20 5 DDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CO)c1cnn(C)c1 ZINC000449210898 420971148 /nfs/dbraw/zinc/97/11/48/420971148.db2.gz SGUPBGCLYVUFAC-FZMZJTMJSA-N 1 0 304.350 1.583 20 5 DDBDRO Cc1ccc(CN2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000449536561 421023097 /nfs/dbraw/zinc/02/30/97/421023097.db2.gz FIYBLCIYHJZZQZ-OKILXGFUSA-N 1 0 307.394 1.790 20 5 DDBDRO C[C@@H]1CN(C/C=C/c2ccccc2[N+](=O)[O-])C[C@H](C)[N@H+]1CCO ZINC000449536578 421023520 /nfs/dbraw/zinc/02/35/20/421023520.db2.gz FMDMPXJEPMOXPD-GWJAVYCQSA-N 1 0 319.405 1.995 20 5 DDBDRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000449617660 421038933 /nfs/dbraw/zinc/03/89/33/421038933.db2.gz WGJONCKHWFYOEE-FVGKDHOHSA-N 1 0 318.377 1.639 20 5 DDBDRO COc1ccc(CC(=O)NC2(C[NH+](C)C)CCC2)cc1[N+](=O)[O-] ZINC000545254910 421246111 /nfs/dbraw/zinc/24/61/11/421246111.db2.gz YUUWNXQXPFPSON-UHFFFAOYSA-N 1 0 321.377 1.746 20 5 DDBDRO C[C@H]1CC[N@H+](C)CCN1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000524590598 421262960 /nfs/dbraw/zinc/26/29/60/421262960.db2.gz MERNYVKTGRQZOY-LBPRGKRZSA-N 1 0 306.366 1.830 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)n1 ZINC000548036721 421392049 /nfs/dbraw/zinc/39/20/49/421392049.db2.gz ASZNBFDRFLEBTO-CYBMUJFWSA-N 1 0 322.409 1.888 20 5 DDBDRO Cc1cc(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)n(C)n1 ZINC000514857132 421460401 /nfs/dbraw/zinc/46/04/01/421460401.db2.gz ZQKOPSKPYXSNIN-AWEZNQCLSA-N 1 0 320.349 1.166 20 5 DDBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000563168986 421466869 /nfs/dbraw/zinc/46/68/69/421466869.db2.gz CWLGFNNJLPWWEP-IUCAKERBSA-N 1 0 309.322 1.222 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@H]2CCCC[C@@H]2O)c1 ZINC000515059948 421477154 /nfs/dbraw/zinc/47/71/54/421477154.db2.gz HSSBOFYWJFDIFI-QEJZJMRPSA-N 1 0 310.350 1.228 20 5 DDBDRO CNc1nccc(C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000563896106 421553682 /nfs/dbraw/zinc/55/36/82/421553682.db2.gz CQXBWEIAWSCVFF-WDEREUQCSA-N 1 0 321.381 1.634 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000522167988 421817803 /nfs/dbraw/zinc/81/78/03/421817803.db2.gz QVUZWHFGTSRPCU-LBPRGKRZSA-N 1 0 306.366 1.758 20 5 DDBDRO CO[C@@H](C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])C(C)C ZINC000572511553 421795998 /nfs/dbraw/zinc/79/59/98/421795998.db2.gz DRZYRQJYARSURC-DOMZBBRYSA-N 1 0 312.366 1.595 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@@H](c2ccncc2)C1 ZINC000581139311 421909254 /nfs/dbraw/zinc/90/92/54/421909254.db2.gz ARDKMDVHDBZFPA-CQSZACIVSA-N 1 0 314.345 1.641 20 5 DDBDRO O=[N+]([O-])c1cnc2ccc(NC[C@@H]3CC[N@@H+]3C3CCCC3)nn21 ZINC000599164059 422402258 /nfs/dbraw/zinc/40/22/58/422402258.db2.gz IUZFWPGKDPPXFG-LBPRGKRZSA-N 1 0 316.365 2.066 20 5 DDBDRO CC[C@@]1(C(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)CCC[NH2+]1 ZINC000343790767 271872322 /nfs/dbraw/zinc/87/23/22/271872322.db2.gz WVNXCBJDZDWALW-HNNXBMFYSA-N 1 0 307.350 1.752 20 5 DDBDRO CC[NH+]1C[C@@H](C)N(C(=O)CCn2cc([N+](=O)[O-])nc2C)[C@H](C)C1 ZINC000344477091 272034008 /nfs/dbraw/zinc/03/40/08/272034008.db2.gz YSSDARZFKGKOHI-VXGBXAGGSA-N 1 0 323.397 1.431 20 5 DDBDRO Cn1c(C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)ccc1[N+](=O)[O-] ZINC000344620095 272071578 /nfs/dbraw/zinc/07/15/78/272071578.db2.gz RKVRLWARCYTRCK-LBPRGKRZSA-N 1 0 308.382 1.784 20 5 DDBDRO CCOc1cc(N2CCC[N@@H+]([C@H](C)CO)CC2)ccc1[N+](=O)[O-] ZINC000345044510 272162585 /nfs/dbraw/zinc/16/25/85/272162585.db2.gz QCRSMDNZSQHBJY-CYBMUJFWSA-N 1 0 323.393 1.886 20 5 DDBDRO C[C@H]1[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)CCC[N@@H+]1C ZINC000345321780 272218910 /nfs/dbraw/zinc/21/89/10/272218910.db2.gz OUQYRXIADAGGPE-GZMMTYOYSA-N 1 0 310.329 1.529 20 5 DDBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)COc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000345971485 272379643 /nfs/dbraw/zinc/37/96/43/272379643.db2.gz VEPSMEUYDGFAGB-CHWSQXEVSA-N 1 0 321.377 1.915 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000422870288 273709093 /nfs/dbraw/zinc/70/90/93/273709093.db2.gz XOMPBTWXVLVMOJ-QWRGUYRKSA-N 1 0 307.350 1.851 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC000323802948 274004780 /nfs/dbraw/zinc/00/47/80/274004780.db2.gz GZXBTGRBYMLOCY-INIZCTEOSA-N 1 0 319.361 1.913 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000422870289 276382048 /nfs/dbraw/zinc/38/20/48/276382048.db2.gz XOMPBTWXVLVMOJ-WDEREUQCSA-N 1 0 307.350 1.851 20 5 DDBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](CN)C1CC1 ZINC000414798991 533689937 /nfs/dbraw/zinc/68/99/37/533689937.db2.gz CXHDBHARIOVZSI-YGRLFVJLSA-N 1 0 306.366 1.639 20 5 DDBDRO CN([C@H](C[NH3+])C1CC1)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000261696497 277001950 /nfs/dbraw/zinc/00/19/50/277001950.db2.gz NURAGNBZHNQYDD-LLVKDONJSA-N 1 0 317.342 1.092 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CCN(c3ccc([N+](=O)[O-])c4nonc43)[C@H]2C1 ZINC000272188278 277146837 /nfs/dbraw/zinc/14/68/37/277146837.db2.gz LOSVBPJDZDEBNU-SKDRFNHKSA-N 1 0 303.322 1.661 20 5 DDBDRO CN1C[C@H]([NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CCC1=O ZINC000331987377 277205061 /nfs/dbraw/zinc/20/50/61/277205061.db2.gz YWZJAWXTFORIKF-AGIUHOORSA-N 1 0 321.381 1.485 20 5 DDBDRO COC(=O)C1(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000450557136 277308508 /nfs/dbraw/zinc/30/85/08/277308508.db2.gz BMMNJAXMSMMXJE-LLVKDONJSA-N 1 0 320.349 1.429 20 5 DDBDRO COC[C@H](C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)OC ZINC000447598995 277590854 /nfs/dbraw/zinc/59/08/54/277590854.db2.gz JIFTYFZXKXPQNC-XQQFMLRXSA-N 1 0 312.370 1.526 20 5 DDBDRO CO[C@H]1CCN(C(=O)c2ccc(C)c([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000262365946 277742151 /nfs/dbraw/zinc/74/21/51/277742151.db2.gz WZEDULYJJYPRFT-STQMWFEESA-N 1 0 307.350 1.482 20 5 DDBDRO C[C@@H](NC(=O)NCCc1ccccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000417767828 278325754 /nfs/dbraw/zinc/32/57/54/278325754.db2.gz RCNCYEQDIMABGI-TZMCWYRMSA-N 1 0 320.393 1.825 20 5 DDBDRO C[C@H]1CN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC[C@H]1[NH3+] ZINC000269182175 278411528 /nfs/dbraw/zinc/41/15/28/278411528.db2.gz DRUAWMKEMJAESG-GXSJLCMTSA-N 1 0 321.333 1.175 20 5 DDBDRO C[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)[C@@H](C[NH3+])C1 ZINC000420417968 278554942 /nfs/dbraw/zinc/55/49/42/278554942.db2.gz FSQSDEZWBAPADB-RKDXNWHRSA-N 1 0 319.408 1.404 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC[NH2+]C(C)(C)C ZINC000127842606 281288070 /nfs/dbraw/zinc/28/80/70/281288070.db2.gz ARRKIZMGFNWDRO-UHFFFAOYSA-N 1 0 322.365 1.346 20 5 DDBDRO CC[C@@H]([NH3+])CNS(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC000572424813 304526141 /nfs/dbraw/zinc/52/61/41/304526141.db2.gz UIFYZKGROMPTLV-SNVBAGLBSA-N 1 0 301.368 1.227 20 5 DDBDRO O=C(CC[NH2+]C[C@H](O)C(F)F)Nc1ccccc1[N+](=O)[O-] ZINC000572880741 304561867 /nfs/dbraw/zinc/56/18/67/304561867.db2.gz LGXLCJPFFYAINE-JTQLQIEISA-N 1 0 303.265 1.139 20 5 DDBDRO COc1ccc(C(=O)N2CC[C@H]3CC[N@H+](C)[C@H]3C2)cc1[N+](=O)[O-] ZINC000362287203 300044347 /nfs/dbraw/zinc/04/43/47/300044347.db2.gz OKAYVEIMXGJVHB-RISCZKNCSA-N 1 0 319.361 1.770 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCCOCC1 ZINC000363379591 300259760 /nfs/dbraw/zinc/25/97/60/300259760.db2.gz SSHFBAQHLOAEGJ-UHFFFAOYSA-N 1 0 323.349 1.654 20 5 DDBDRO [NH2+]=C(NO)[C@H]1CCCCN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000363783561 300307270 /nfs/dbraw/zinc/30/72/70/300307270.db2.gz WZFYSDAUWZCMMS-GFCCVEGCSA-N 1 0 321.337 1.344 20 5 DDBDRO O=C(CNc1ccccc1[N+](=O)[O-])N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000365236075 300488455 /nfs/dbraw/zinc/48/84/55/300488455.db2.gz AWBBHZLBXSWFAH-AAEUAGOBSA-N 1 0 304.350 1.217 20 5 DDBDRO O=C(NC1CC[NH+](Cc2cccs2)CC1)[C@H]1C[C@H]1[N+](=O)[O-] ZINC000368804894 301090346 /nfs/dbraw/zinc/09/03/46/301090346.db2.gz JTJXZFHMJMFIFD-QWHCGFSZSA-N 1 0 309.391 1.494 20 5 DDBDRO CN(C(=O)[C@@H]1C[C@@H]1[N+](=O)[O-])C1CC[NH+](Cc2ccncc2)CC1 ZINC000368818424 301092412 /nfs/dbraw/zinc/09/24/12/301092412.db2.gz UIKMNBHQDOIQGO-CABCVRRESA-N 1 0 318.377 1.170 20 5 DDBDRO O=C1O[C@H](C[N@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)CC12CC2 ZINC000369007169 301118221 /nfs/dbraw/zinc/11/82/21/301118221.db2.gz GRHCOKNDLRSWQB-AAEUAGOBSA-N 1 0 320.349 1.524 20 5 DDBDRO C[N@@H+]1CCC[C@@H](N2CCN(c3cc(N)ccc3[N+](=O)[O-])CC2)C1 ZINC000369212342 301146345 /nfs/dbraw/zinc/14/63/45/301146345.db2.gz DBYCYRXNNFDKPX-CQSZACIVSA-N 1 0 319.409 1.393 20 5 DDBDRO CSc1ccc(C(=O)N2CCO[C@H]3C[NH2+]C[C@H]32)cc1[N+](=O)[O-] ZINC000369334884 301166981 /nfs/dbraw/zinc/16/69/81/301166981.db2.gz NGIXKTQVRAWPKQ-NEPJUHHUSA-N 1 0 323.374 1.130 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H]2CC[N@H+](C)[C@H]2C1 ZINC000370445624 301340869 /nfs/dbraw/zinc/34/08/69/301340869.db2.gz WHMUTWSFPFXMPS-FZMZJTMJSA-N 1 0 319.361 1.770 20 5 DDBDRO C[NH+](C)CCN1CCCN(c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000374223816 301781028 /nfs/dbraw/zinc/78/10/28/301781028.db2.gz OWEXFCCBHDBKCA-UHFFFAOYSA-N 1 0 310.373 1.808 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000193403624 302049390 /nfs/dbraw/zinc/04/93/90/302049390.db2.gz DXANEFXUYJDBAD-GXSJLCMTSA-N 1 0 313.379 1.180 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@H]2CCCC[C@@H]2O)c1 ZINC000515059949 302763953 /nfs/dbraw/zinc/76/39/53/302763953.db2.gz HSSBOFYWJFDIFI-SNPRPXQTSA-N 1 0 310.350 1.228 20 5 DDBDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532143602 303277226 /nfs/dbraw/zinc/27/72/26/303277226.db2.gz OGTGLKPBWZWONW-LBPRGKRZSA-N 1 0 306.366 1.984 20 5 DDBDRO C[C@@H]1CC[N@H+](CCNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000538709536 303389276 /nfs/dbraw/zinc/38/92/76/303389276.db2.gz LQYMPADZIKMSRL-SNVBAGLBSA-N 1 0 321.333 1.395 20 5 DDBDRO Cc1cc(N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)ncc1[N+](=O)[O-] ZINC000361830407 307008251 /nfs/dbraw/zinc/00/82/51/307008251.db2.gz MHPPHEZUMKBNGB-TZMCWYRMSA-N 1 0 306.366 1.334 20 5 DDBDRO C[C@H]1C[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@@H]1CO ZINC000362068724 307012662 /nfs/dbraw/zinc/01/26/62/307012662.db2.gz CPMRGUWYRXHPAV-NWDGAFQWSA-N 1 0 307.350 1.118 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@@]2(CCC[C@@H]2[NH3+])C1 ZINC000365087203 307058289 /nfs/dbraw/zinc/05/82/89/307058289.db2.gz WREYZLCLMBFZDI-ZFWWWQNUSA-N 1 0 304.350 1.642 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H]1CCO[C@H]1C1CC1 ZINC000365189304 307061242 /nfs/dbraw/zinc/06/12/42/307061242.db2.gz BAXCGHTYRUIMBE-HOCLYGCPSA-N 1 0 319.361 1.999 20 5 DDBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000366469811 307074552 /nfs/dbraw/zinc/07/45/52/307074552.db2.gz HXACJTURAFLDJG-UHIISALHSA-N 1 0 321.402 1.896 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000368722870 307108653 /nfs/dbraw/zinc/10/86/53/307108653.db2.gz TWTXRFCRPOFDMF-NSHDSACASA-N 1 0 306.366 1.533 20 5 DDBDRO CCCCNC(=O)[C@@H](C)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000369693452 307127008 /nfs/dbraw/zinc/12/70/08/307127008.db2.gz SAXBXEOTHBOTNZ-GFCCVEGCSA-N 1 0 323.397 1.733 20 5 DDBDRO CCn1nccc1CC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000374782881 307214000 /nfs/dbraw/zinc/21/40/00/307214000.db2.gz YGGTWOOCGMFAHW-UHFFFAOYSA-N 1 0 318.381 1.887 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC(c3cnccn3)CC2)n1 ZINC000375728010 307229741 /nfs/dbraw/zinc/22/97/41/307229741.db2.gz WSDPXJDWKYJPPK-UHFFFAOYSA-N 1 0 302.338 1.461 20 5 DDBDRO O=C(c1ccc([N+](=O)[O-])cn1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000378502237 307290223 /nfs/dbraw/zinc/29/02/23/307290223.db2.gz VDMJLARRSVYWDA-ZDUSSCGKSA-N 1 0 304.350 1.594 20 5 DDBDRO Cc1ccccc1[C@@H](CO)[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000543836031 307712230 /nfs/dbraw/zinc/71/22/30/307712230.db2.gz GSBXFLURHMBEJD-OAHLLOKOSA-N 1 0 317.345 1.388 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H]2CCCC[C@H]2O)c1 ZINC000564977629 308015354 /nfs/dbraw/zinc/01/53/54/308015354.db2.gz HSSBOFYWJFDIFI-BPLDGKMQSA-N 1 0 310.350 1.228 20 5 DDBDRO CC[N@H+](C)C[C@@H](O)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000577510022 308394332 /nfs/dbraw/zinc/39/43/32/308394332.db2.gz JETKHYBZRYOOJO-OAHLLOKOSA-N 1 0 304.350 1.771 20 5 DDBDRO CC[N@H+](C)C[C@H](O)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000577510021 308394431 /nfs/dbraw/zinc/39/44/31/308394431.db2.gz JETKHYBZRYOOJO-HNNXBMFYSA-N 1 0 304.350 1.771 20 5 DDBDRO COc1ccc(NC(=O)CN2CC[C@H]([NH3+])C[C@H]2C)c([N+](=O)[O-])c1 ZINC000578244966 308448844 /nfs/dbraw/zinc/44/88/44/308448844.db2.gz XDJMTCHMOYDYJT-MNOVXSKESA-N 1 0 322.365 1.354 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000578995496 308499874 /nfs/dbraw/zinc/49/98/74/308499874.db2.gz LCWRRHVNKHTLPA-NSHDSACASA-N 1 0 321.381 1.090 20 5 DDBDRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000579241153 308517554 /nfs/dbraw/zinc/51/75/54/308517554.db2.gz KKUIDAPDXIOKDW-NXEZZACHSA-N 1 0 321.333 1.523 20 5 DDBDRO COc1ccc(CC(=O)N[C@H](CC[NH3+])C(F)F)cc1[N+](=O)[O-] ZINC000579472862 308534339 /nfs/dbraw/zinc/53/43/39/308534339.db2.gz SSKQKZPYFAORRT-SECBINFHSA-N 1 0 317.292 1.245 20 5 DDBDRO COCCN1CC[C@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000582795788 337169126 /nfs/dbraw/zinc/16/91/26/337169126.db2.gz AYEUKEDAFNURSV-WFASDCNBSA-N 1 0 305.378 1.892 20 5 DDBDRO C[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000348143050 490748802 /nfs/dbraw/zinc/74/88/02/490748802.db2.gz ORWDYHWOTSNVPQ-GWCFXTLKSA-N 1 0 307.350 1.598 20 5 DDBDRO COC(=O)c1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH3+])cc([N+](=O)[O-])c1 ZINC000424218605 533739392 /nfs/dbraw/zinc/73/93/92/533739392.db2.gz VHOBQSMJSUVDTG-CHWSQXEVSA-N 1 0 321.333 1.381 20 5 DDBDRO C[C@]12C[N@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000452055516 534189764 /nfs/dbraw/zinc/18/97/64/534189764.db2.gz UMDLCUOOHJWRKQ-XVLPMQGWSA-N 1 0 320.393 1.520 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H](CO)C(C)(C)C ZINC000444704323 534340049 /nfs/dbraw/zinc/34/00/49/534340049.db2.gz KVTCTTXSBBTMML-ZDUSSCGKSA-N 1 0 309.366 1.838 20 5 DDBDRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)c1ccccc1[N+](=O)[O-] ZINC000452347342 534571825 /nfs/dbraw/zinc/57/18/25/534571825.db2.gz IJRNFIFWSIMFQX-LBPRGKRZSA-N 1 0 307.350 1.171 20 5 DDBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000330931256 528249842 /nfs/dbraw/zinc/24/98/42/528249842.db2.gz SQWJRHZIZFJMBQ-GFCCVEGCSA-N 1 0 323.397 1.469 20 5 DDBDRO CCCc1n[nH]c(C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000330890008 528548923 /nfs/dbraw/zinc/54/89/23/528548923.db2.gz BPXYYFSFWDHXDO-ZJUUUORDSA-N 1 0 309.370 1.483 20 5 DDBDRO CC1(C)COC[C@H]1[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000451822664 529134614 /nfs/dbraw/zinc/13/46/14/529134614.db2.gz HZNBXVPTBJDNTQ-GXTWGEPZSA-N 1 0 310.350 1.349 20 5 DDBDRO CCCC[N@H+](C)CCNc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000736452660 598772773 /nfs/dbraw/zinc/77/27/73/598772773.db2.gz HGDOKONSCNPOHP-UHFFFAOYSA-N 1 0 319.369 1.919 20 5 DDBDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1c1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000824992259 608554885 /nfs/dbraw/zinc/55/48/85/608554885.db2.gz LDGWTFLUANGXPZ-UWVGGRQHSA-N 1 0 317.353 1.304 20 5 DDBDRO CNC(=O)[C@]1(C)CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000797525086 700013280 /nfs/dbraw/zinc/01/32/80/700013280.db2.gz AKODOWSXMQAENN-UKRRQHHQSA-N 1 0 307.350 1.086 20 5 DDBDRO C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000119739559 696684857 /nfs/dbraw/zinc/68/48/57/696684857.db2.gz ITVIGVXZEHJRRF-VIFPVBQESA-N 1 0 319.408 1.276 20 5 DDBDRO CCS(=O)(=O)C[C@@H](C)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000775385539 697990935 /nfs/dbraw/zinc/99/09/35/697990935.db2.gz LMLROAXRKAFHRA-MFKMUULPSA-N 1 0 316.379 1.041 20 5 DDBDRO COC(=O)C1CC[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776270291 698089901 /nfs/dbraw/zinc/08/99/01/698089901.db2.gz CDHOKAJHGXOODL-CQSZACIVSA-N 1 0 308.334 1.513 20 5 DDBDRO COC(=O)[C@H](C)C[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000776582113 698121181 /nfs/dbraw/zinc/12/11/81/698121181.db2.gz QNUIPDIIELLOCW-ABAIWWIYSA-N 1 0 322.361 1.902 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCSC[C@@H]2CCO)cc1 ZINC000776585905 698122172 /nfs/dbraw/zinc/12/21/72/698122172.db2.gz CTBGIDVLTUBFEA-UONOGXRCSA-N 1 0 312.391 1.428 20 5 DDBDRO CC[N@H+](C)C[C@H]1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776588826 698123188 /nfs/dbraw/zinc/12/31/88/698123188.db2.gz CFHPUYIXBYEGLS-CJNGLKHVSA-N 1 0 307.394 1.902 20 5 DDBDRO C[C@H](CNc1ccc([N+](=O)[O-])cc1N1CCOC1=O)[NH+](C)C ZINC000785776386 699100512 /nfs/dbraw/zinc/10/05/12/699100512.db2.gz QMMLBZCWSCMTCQ-SNVBAGLBSA-N 1 0 308.338 1.913 20 5 DDBDRO Cc1cc(C(=O)NCCNc2cc[nH+]cc2)c(N)c([N+](=O)[O-])c1 ZINC000729524201 699481258 /nfs/dbraw/zinc/48/12/58/699481258.db2.gz QWDSIULFIGXURX-UHFFFAOYSA-N 1 0 315.333 1.144 20 5 DDBDRO Cc1nn(CN2CC[C@@H]([NH+]3CCCCC3)C2)c(C)c1[N+](=O)[O-] ZINC000730805689 699516287 /nfs/dbraw/zinc/51/62/87/699516287.db2.gz VRNYSZSZOXKDJC-CQSZACIVSA-N 1 0 307.398 1.926 20 5 DDBDRO Cc1nn(C[N@@H+]2CC[C@](C)(C(N)=O)C2)c2ccc([N+](=O)[O-])cc12 ZINC000794704604 699825304 /nfs/dbraw/zinc/82/53/04/699825304.db2.gz LIXCPBCAXGZWNK-HNNXBMFYSA-N 1 0 317.349 1.408 20 5 DDBDRO C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000741720103 699848963 /nfs/dbraw/zinc/84/89/63/699848963.db2.gz DZIJVNBNCURBSR-KOLCDFICSA-N 1 0 322.321 1.716 20 5 DDBDRO COC[C@@H]1CCC[N@@H+]1Cn1nc(C)c2cc([N+](=O)[O-])cnc21 ZINC000751947721 700329019 /nfs/dbraw/zinc/32/90/19/700329019.db2.gz UULXJUBGHWDPRT-NSHDSACASA-N 1 0 305.338 1.716 20 5 DDBDRO C[C@H]([NH2+][C@@H](CCO)C1CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000763061490 700923177 /nfs/dbraw/zinc/92/31/77/700923177.db2.gz XZFYEILSKGSERS-HZMBPMFUSA-N 1 0 307.350 1.672 20 5 DDBDRO C[C@H]1C[C@@H](C(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000810376719 701761826 /nfs/dbraw/zinc/76/18/26/701761826.db2.gz QKUMTPHZZBGCKB-STQMWFEESA-N 1 0 321.377 1.820 20 5 DDBDRO C[C@@H]1C[C@H](NC(=O)Cc2cccc(F)c2[N+](=O)[O-])CC[N@@H+]1C ZINC000866073873 706611278 /nfs/dbraw/zinc/61/12/78/706611278.db2.gz UVXIRYYAJSZOAI-ZYHUDNBSSA-N 1 0 309.341 1.875 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCCc1cnn(C)n1 ZINC000815144331 701814307 /nfs/dbraw/zinc/81/43/07/701814307.db2.gz GFSJPFAHODAWRM-UHFFFAOYSA-N 1 0 319.365 1.844 20 5 DDBDRO CSc1ccc([C@@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000839780912 701824351 /nfs/dbraw/zinc/82/43/51/701824351.db2.gz YOHPHKROOHPNDY-MGPQQGTHSA-N 1 0 323.418 1.793 20 5 DDBDRO C[C@@H]([NH2+][C@H](CO)C1CCOCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815615857 701904259 /nfs/dbraw/zinc/90/42/59/701904259.db2.gz ZGAZNZYHYDBYDQ-QMTHXVAHSA-N 1 0 309.366 1.615 20 5 DDBDRO C[N@@H+]1CC[C@H]2CN(c3ccc([N+](=O)[O-])c4nonc43)CC[C@@H]21 ZINC000866207003 706648715 /nfs/dbraw/zinc/64/87/15/706648715.db2.gz NUVVZLLYSJTWOX-UWVGGRQHSA-N 1 0 303.322 1.661 20 5 DDBDRO COC(=O)Cc1ccc(N(C)C[C@@H]2CCC[N@@H+]2C)c([N+](=O)[O-])c1 ZINC000817131927 702281540 /nfs/dbraw/zinc/28/15/40/702281540.db2.gz VRBFMCINBWHEHF-ZDUSSCGKSA-N 1 0 321.377 1.841 20 5 DDBDRO C[C@H](N[C@H]1C[NH2+]CCC1(F)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817979518 702541727 /nfs/dbraw/zinc/54/17/27/702541727.db2.gz BOZXZSLNIQTCAX-UFBFGSQYSA-N 1 0 300.309 1.825 20 5 DDBDRO C[C@H]1CN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@@H](C)C[NH2+]1 ZINC000842473779 702725055 /nfs/dbraw/zinc/72/50/55/702725055.db2.gz FOTNVKLJNKZPOC-QWRGUYRKSA-N 1 0 324.356 1.745 20 5 DDBDRO Cc1cc(Cl)c(S(=O)(=O)N[C@@H](C)[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000842881674 702786647 /nfs/dbraw/zinc/78/66/47/702786647.db2.gz LNGTULUUJPQNIK-SFYZADRCSA-N 1 0 321.786 1.571 20 5 DDBDRO CC[C@H]([NH3+])CNS(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 ZINC000842886710 702787239 /nfs/dbraw/zinc/78/72/39/702787239.db2.gz HNKLEBDFBXYOIK-QMMMGPOBSA-N 1 0 305.331 1.058 20 5 DDBDRO [NH3+][C@@H]1CCN(Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000843045799 702807467 /nfs/dbraw/zinc/80/74/67/702807467.db2.gz WLPVSXKAGXCGCD-MRVPVSSYSA-N 1 0 300.156 1.890 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H](CO)[C@@H]2CCCOC2)c1 ZINC000843116589 702822309 /nfs/dbraw/zinc/82/23/09/702822309.db2.gz QQRCWLNEORGCPR-BPLDGKMQSA-N 1 0 310.350 1.005 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)NC[C@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000843347129 702863815 /nfs/dbraw/zinc/86/38/15/702863815.db2.gz RMKIXFJFUJVYKC-JTQLQIEISA-N 1 0 310.310 1.525 20 5 DDBDRO C[C@@H]([NH3+])CNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000843472810 702888671 /nfs/dbraw/zinc/88/86/71/702888671.db2.gz DWRLTZKTABEHGI-RXMQYKEDSA-N 1 0 320.118 1.573 20 5 DDBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)COC1(C)C[NH2+]C1)CC2 ZINC000843494131 702893079 /nfs/dbraw/zinc/89/30/79/702893079.db2.gz HKLVUGMDZQVMOZ-UHFFFAOYSA-N 1 0 305.334 1.171 20 5 DDBDRO NC(=O)c1ccc(C[N@@H+]2CC[C@H]3CSC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000879561543 706718358 /nfs/dbraw/zinc/71/83/58/706718358.db2.gz QFXBGHGIWHEHGK-STQMWFEESA-N 1 0 321.402 1.879 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(C[C@H](O)c3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000879577505 706724952 /nfs/dbraw/zinc/72/49/52/706724952.db2.gz JRKSOZRIZFNERO-KBMXLJTQSA-N 1 0 305.378 1.654 20 5 DDBDRO CC[NH+](CC)CCCOC(=O)c1ccnc(NC)c1[N+](=O)[O-] ZINC000848789892 703589763 /nfs/dbraw/zinc/58/97/63/703589763.db2.gz IJNZQMBCUXUFFM-UHFFFAOYSA-N 1 0 310.354 1.920 20 5 DDBDRO O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000818603815 703937090 /nfs/dbraw/zinc/93/70/90/703937090.db2.gz OHTPCHPYDRESHB-YUMQZZPRSA-N 1 0 301.705 1.678 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000818963293 704035896 /nfs/dbraw/zinc/03/58/96/704035896.db2.gz NTSXJOWQFLYJAS-IIAWOOMASA-N 1 0 305.378 1.845 20 5 DDBDRO COCCN1CCC[C@@H]1C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819017834 704052158 /nfs/dbraw/zinc/05/21/58/704052158.db2.gz LSKATSWSZJLPQA-CVEARBPZSA-N 1 0 323.393 1.329 20 5 DDBDRO CC(=O)N1CCC(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000819019049 704052763 /nfs/dbraw/zinc/05/27/63/704052763.db2.gz FQFMHCJMQBOUQV-MRXNPFEDSA-N 1 0 321.377 1.476 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CCOC[C@@H]2CCOC2)cc1 ZINC000819046770 704057643 /nfs/dbraw/zinc/05/76/43/704057643.db2.gz SFVDYCVVYWDLQD-IUODEOHRSA-N 1 0 310.350 1.271 20 5 DDBDRO CO[C@@H](C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000819070658 704064937 /nfs/dbraw/zinc/06/49/37/704064937.db2.gz YTMYXMXSGXXBFE-MNOVXSKESA-N 1 0 308.256 1.795 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H]2CCc3c[nH]nc3C2)cc1 ZINC000819154240 704077706 /nfs/dbraw/zinc/07/77/06/704077706.db2.gz GCTPNVCFSNXMEI-IUODEOHRSA-N 1 0 302.334 1.498 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@H]2COC3(CCCC3)O2)c1 ZINC000819204770 704086060 /nfs/dbraw/zinc/08/60/60/704086060.db2.gz FAMLYCOZJMSIIQ-LSDHHAIUSA-N 1 0 322.361 1.904 20 5 DDBDRO CC(=O)N1CCC[C@@H](C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819276454 704099457 /nfs/dbraw/zinc/09/94/57/704099457.db2.gz LZNMRNDDTBPAGJ-BBRMVZONSA-N 1 0 321.377 1.476 20 5 DDBDRO C[NH+](C)C1CCN(C(=O)[C@@](C)(N)c2cccc([N+](=O)[O-])c2)CC1 ZINC000870852470 704145197 /nfs/dbraw/zinc/14/51/97/704145197.db2.gz GHZQWNMKQMVEFF-INIZCTEOSA-N 1 0 320.393 1.321 20 5 DDBDRO C[NH2+]C[C@H](C)NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000852921845 704173228 /nfs/dbraw/zinc/17/32/28/704173228.db2.gz SGHOSVMBKWMCCJ-ZETCQYMHSA-N 1 0 310.310 1.458 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)NCC[C@@H](C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000855418294 704484717 /nfs/dbraw/zinc/48/47/17/704484717.db2.gz YPXNZBDCLVWMTM-SECBINFHSA-N 1 0 324.337 1.881 20 5 DDBDRO [NH3+][C@H]1CCCN(C(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)C1 ZINC000857763311 704621794 /nfs/dbraw/zinc/62/17/94/704621794.db2.gz WNACCYUWJWWCMY-VIFPVBQESA-N 1 0 315.276 1.516 20 5 DDBDRO O=C(NC[C@H]1CCC[NH2+]1)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857764599 704621911 /nfs/dbraw/zinc/62/19/11/704621911.db2.gz UGKLPVUXPIVXEE-SECBINFHSA-N 1 0 315.276 1.435 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N(C)[C@H]1CC[N@@H+](C(C)C)C1 ZINC000822152028 704885822 /nfs/dbraw/zinc/88/58/22/704885822.db2.gz QIGUGQPYYPCXJF-LBPRGKRZSA-N 1 0 309.370 1.041 20 5 DDBDRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1cccc([N+](=O)[O-])c1N ZINC000874836914 705193853 /nfs/dbraw/zinc/19/38/53/705193853.db2.gz IDKKXSPBGAGTDT-NEPJUHHUSA-N 1 0 304.350 1.486 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCC[C@@H](n3ccnn3)C2)cc1 ZINC000823468831 705249605 /nfs/dbraw/zinc/24/96/05/705249605.db2.gz LIBKLMXKOFIXLQ-CABCVRRESA-N 1 0 317.349 1.557 20 5 DDBDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000824969647 705569455 /nfs/dbraw/zinc/56/94/55/705569455.db2.gz HQAMCANBYBNADM-WFASDCNBSA-N 1 0 321.377 1.619 20 5 DDBDRO C[NH+]1CCC(CNC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000825574933 705695761 /nfs/dbraw/zinc/69/57/61/705695761.db2.gz FRNXVHLDONKWDO-CQSZACIVSA-N 1 0 307.350 1.086 20 5 DDBDRO COc1ccc(CNC(=O)[C@@H](F)[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000876612351 705783940 /nfs/dbraw/zinc/78/39/40/705783940.db2.gz JVLDHCWFWZOMPI-MFKMUULPSA-N 1 0 311.313 1.167 20 5 DDBDRO CC(C)[NH+]1CCC(O)(CNC(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC000826932914 705893935 /nfs/dbraw/zinc/89/39/35/705893935.db2.gz KOTDRILFXTZZOO-UHFFFAOYSA-N 1 0 315.414 1.173 20 5 DDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@H](O)Cc3ccccc3)C2)c1 ZINC000877014482 705958979 /nfs/dbraw/zinc/95/89/79/705958979.db2.gz CFWULSVWHLPFBF-ZBCRRDGASA-N 1 0 316.361 1.688 20 5 DDBDRO O=C(CCc1cc(F)ccc1[N+](=O)[O-])NC12CC[NH+](CC1)C2 ZINC000828003186 706101938 /nfs/dbraw/zinc/10/19/38/706101938.db2.gz ITSADCZBRUAHFQ-UHFFFAOYSA-N 1 0 307.325 1.631 20 5 DDBDRO CC[C@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)[C@H](O)C(F)F ZINC000877560758 706143081 /nfs/dbraw/zinc/14/30/81/706143081.db2.gz AEMHAHPKEIKNLD-SLDGDWOWSA-N 1 0 304.297 1.489 20 5 DDBDRO O=[N+]([O-])c1ccc(NC[C@@H]2CCC[N@H+]2CCCO)c([N+](=O)[O-])c1 ZINC000828423070 706176727 /nfs/dbraw/zinc/17/67/27/706176727.db2.gz TVHRMFKWRQLFDY-LBPRGKRZSA-N 1 0 324.337 1.762 20 5 DDBDRO CO[C@H]1C[C@@H](C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000878251476 706338737 /nfs/dbraw/zinc/33/87/37/706338737.db2.gz MZYFDUJSHNFIDQ-BZPMIXESSA-N 1 0 306.366 1.901 20 5 DDBDRO O=[N+]([O-])c1cc(CO)c(N2CC[NH+](CCCF)CC2)cc1F ZINC000865902131 706557725 /nfs/dbraw/zinc/55/77/25/706557725.db2.gz PJZAJWOSIXRGLR-UHFFFAOYSA-N 1 0 315.320 1.708 20 5 DDBDRO CC[C@@H]1CN(C(=O)c2cc(C)cc([N+](=O)[O-])c2N)CC[C@H]1[NH3+] ZINC000834646374 707098055 /nfs/dbraw/zinc/09/80/55/707098055.db2.gz DXJWLMPVKVUECW-ZYHUDNBSSA-N 1 0 306.366 1.685 20 5 DDBDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000837184905 707592905 /nfs/dbraw/zinc/59/29/05/707592905.db2.gz PBXCTGNZFLQMPV-GFCCVEGCSA-N 1 0 306.366 1.732 20 5 DDBDRO CC[N@@H+]1CC[C@H]1CNC(=O)CSc1ccccc1[N+](=O)[O-] ZINC000882481756 707652532 /nfs/dbraw/zinc/65/25/32/707652532.db2.gz VDJLNOMYXMXTBE-NSHDSACASA-N 1 0 309.391 1.897 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H]1CCc2c(nnn2C)C1 ZINC000873133998 707744049 /nfs/dbraw/zinc/74/40/49/707744049.db2.gz WEIBUQVTUHPUHJ-GFCCVEGCSA-N 1 0 315.377 1.987 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@]1(OCCO)CCOC1 ZINC000873135993 707745442 /nfs/dbraw/zinc/74/54/42/707745442.db2.gz RQYGPIFHOXVBMI-MRXNPFEDSA-N 1 0 324.377 1.469 20 5 DDBDRO Cc1ccc(C[NH2+][C@@H](C2CC2)[C@H]2CNCCO2)cc1[N+](=O)[O-] ZINC000873251846 707786048 /nfs/dbraw/zinc/78/60/48/707786048.db2.gz LVJODEQCTFBPRN-CVEARBPZSA-N 1 0 305.378 1.760 20 5 DDBDRO C[N@@H+]1CCC[C@@H](CCNC(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000838137347 707851315 /nfs/dbraw/zinc/85/13/15/707851315.db2.gz QOWQCNNLWYXGAI-NSHDSACASA-N 1 0 306.366 1.639 20 5 DDBDRO CC[N@@H+]1CC[C@H]1CNc1nc(C)cc(C(=O)OC)c1[N+](=O)[O-] ZINC000882959937 707873510 /nfs/dbraw/zinc/87/35/10/707873510.db2.gz UNGAMZIXRLKQSB-JTQLQIEISA-N 1 0 308.338 1.591 20 5 DDBDRO O=C(OCCn1cc([N+](=O)[O-])cn1)C1C[NH+](C2CCCCC2)C1 ZINC000838462381 707924568 /nfs/dbraw/zinc/92/45/68/707924568.db2.gz GGUIMHDSUDBCDW-UHFFFAOYSA-N 1 0 322.365 1.599 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)c1 ZINC000897218130 708256559 /nfs/dbraw/zinc/25/65/59/708256559.db2.gz BCLCBHKBTOAKAM-KGLIPLIRSA-N 1 0 321.377 1.639 20 5 DDBDRO O=C(N1CCc2c(cccc2[N+](=O)[O-])C1)[C@@]12CC[N@H+](C1)CCC2 ZINC000897232680 708263604 /nfs/dbraw/zinc/26/36/04/708263604.db2.gz RKVHSNSEAJNINK-KRWDZBQOSA-N 1 0 315.373 1.965 20 5 DDBDRO COc1cc(C[NH2+]C2CC(CCO)C2)c([N+](=O)[O-])cc1OC ZINC000898008775 708518040 /nfs/dbraw/zinc/51/80/40/708518040.db2.gz ZTSSJCFCUBKGGL-UHFFFAOYSA-N 1 0 310.350 1.863 20 5 DDBDRO COC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]Cc2cccnc2[N+](=O)[O-])C1 ZINC000886142923 708704454 /nfs/dbraw/zinc/70/44/54/708704454.db2.gz OINSHCLYRQRISB-DGCLKSJQSA-N 1 0 322.365 1.946 20 5 DDBDRO CCO[C@H]1C[C@](CO)([NH2+]Cc2cccnc2[N+](=O)[O-])C1(C)C ZINC000886160273 708707969 /nfs/dbraw/zinc/70/79/69/708707969.db2.gz OWNXEWJDQWTJMV-SWLSCSKDSA-N 1 0 309.366 1.646 20 5 DDBDRO O=[N+]([O-])c1ncccc1C[NH2+][C@@H]([C@H]1CCCO1)C1(CO)CCC1 ZINC000886273751 708734306 /nfs/dbraw/zinc/73/43/06/708734306.db2.gz GBTMUOKAVPXDSJ-KGLIPLIRSA-N 1 0 321.377 1.790 20 5 DDBDRO NC(=O)c1ccc(C[N@@H+]2CC[C@@H]([C@H]3CCCO3)C2)c([N+](=O)[O-])c1 ZINC000886827924 708855162 /nfs/dbraw/zinc/85/51/62/708855162.db2.gz UFWDTHKRSMIRMS-UKRRQHHQSA-N 1 0 319.361 1.695 20 5 DDBDRO CCN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@H]1CC[NH2+]C1 ZINC000886848382 708862406 /nfs/dbraw/zinc/86/24/06/708862406.db2.gz AFJIHFNNNQKQLC-LBPRGKRZSA-N 1 0 324.356 1.746 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@@H]([NH+](C)C)C12CCC2 ZINC000898848054 708888399 /nfs/dbraw/zinc/88/83/99/708888399.db2.gz IWCPDLQWPMBZAE-ZIAGYGMSSA-N 1 0 318.377 1.901 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC000887937601 709172370 /nfs/dbraw/zinc/17/23/70/709172370.db2.gz BNANQBUIQZYBCG-ABAIWWIYSA-N 1 0 304.350 1.322 20 5 DDBDRO CC(C)c1ccc(C(=O)NCC[N@H+](C)CCO)cc1[N+](=O)[O-] ZINC000899737171 709184054 /nfs/dbraw/zinc/18/40/54/709184054.db2.gz BHTQKFYBIOJJNV-UHFFFAOYSA-N 1 0 309.366 1.372 20 5 DDBDRO C[C@@H](NC(=O)C[C@]1(O)CCC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000900267395 709512631 /nfs/dbraw/zinc/51/26/31/709512631.db2.gz FHEOPOIWAPHJJS-MLGOLLRUSA-N 1 0 321.377 1.619 20 5 DDBDRO C[NH2+]C[C@H]1CCCN1C(=O)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000892537033 710454088 /nfs/dbraw/zinc/45/40/88/710454088.db2.gz NKJMGIJQXMLWGN-CYBMUJFWSA-N 1 0 306.366 1.797 20 5 DDBDRO C[C@@]1(NC(=O)c2ccc([N+](=O)[O-])cc2F)C[NH+]2CCC1CC2 ZINC000892793206 710500485 /nfs/dbraw/zinc/50/04/85/710500485.db2.gz SOXOBEXHKGPJEO-OAHLLOKOSA-N 1 0 307.325 1.948 20 5 DDBDRO C[C@@H]1[C@@H](NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC[N@@H+]1C ZINC000928439691 713196297 /nfs/dbraw/zinc/19/62/97/713196297.db2.gz JVQKRKDKVNHQOG-KOLCDFICSA-N 1 0 302.334 1.899 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC(C)([NH+](C)C)CC1 ZINC000913400848 713208477 /nfs/dbraw/zinc/20/84/77/713208477.db2.gz ZIAWBIMSPHWSKU-UHFFFAOYSA-N 1 0 306.366 1.855 20 5 DDBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000893872083 710867681 /nfs/dbraw/zinc/86/76/81/710867681.db2.gz ONWPJBKXHDNZDG-SECBINFHSA-N 1 0 307.306 1.148 20 5 DDBDRO C[NH2+][C@@H]1CCN(C(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)C1 ZINC000911659795 710911544 /nfs/dbraw/zinc/91/15/44/710911544.db2.gz DSSJSSCNBXTWKD-SNVBAGLBSA-N 1 0 321.333 1.190 20 5 DDBDRO COc1c(O)ccc(CN2CC([C@H]3CCOC3)C2)c1[N+](=O)[O-] ZINC000894149763 710986986 /nfs/dbraw/zinc/98/69/86/710986986.db2.gz VHWDAGYRFWGOJJ-NSHDSACASA-N 1 0 308.334 1.777 20 5 DDBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CC[N@@H+]1C ZINC000928560788 713227156 /nfs/dbraw/zinc/22/71/56/713227156.db2.gz VLOUWVGMLIPRFL-DZGCQCFKSA-N 1 0 305.378 1.984 20 5 DDBDRO COc1cc([C@H](C)[NH2+]C[C@H](O)[C@H]2CCCO2)cc([N+](=O)[O-])c1 ZINC000903206245 711063735 /nfs/dbraw/zinc/06/37/35/711063735.db2.gz PVTFKWKFYWEOQV-NZVBXONLSA-N 1 0 310.350 1.794 20 5 DDBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H]1CCN1C ZINC000903321974 711095862 /nfs/dbraw/zinc/09/58/62/711095862.db2.gz FEMHYJLDJDQLNK-BXUZGUMPSA-N 1 0 306.366 1.606 20 5 DDBDRO COc1c(O)ccc(C[N@@H+]2CC[C@@H](CCCO)C2)c1[N+](=O)[O-] ZINC000894797601 711275064 /nfs/dbraw/zinc/27/50/64/711275064.db2.gz NTLHPZWDZXLSGK-LLVKDONJSA-N 1 0 310.350 1.903 20 5 DDBDRO C[N@@H+]1CCN(c2ccc([N+](=O)[O-])c3cccnc32)C[C@@H]1CO ZINC000894887643 711309190 /nfs/dbraw/zinc/30/91/90/711309190.db2.gz HPTMYPZNQHIIDG-LLVKDONJSA-N 1 0 302.334 1.256 20 5 DDBDRO CC1(C)CN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@H]1[NH3+] ZINC000903984566 711358779 /nfs/dbraw/zinc/35/87/79/711358779.db2.gz JBMSJLJNSQXHQD-CQSZACIVSA-N 1 0 307.350 1.535 20 5 DDBDRO C[NH+]1CCC(OCC(=O)Oc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000904005000 711362130 /nfs/dbraw/zinc/36/21/30/711362130.db2.gz VZFZLALVTBRPGJ-UHFFFAOYSA-N 1 0 312.297 1.750 20 5 DDBDRO Cc1cc(NC(=O)COC2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000904187797 711404659 /nfs/dbraw/zinc/40/46/59/711404659.db2.gz NBHMAXQJTAZCTB-UHFFFAOYSA-N 1 0 307.350 1.953 20 5 DDBDRO C[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)C[C@@H]1C(C)(C)C ZINC000895100668 711411365 /nfs/dbraw/zinc/41/13/65/711411365.db2.gz DTFOISQZPBLHFQ-CQSZACIVSA-N 1 0 320.393 1.860 20 5 DDBDRO COC(=O)/C=C/c1ccc(NC[C@H]2CC[N@@H+]2C)c([N+](=O)[O-])c1 ZINC000895777740 711603985 /nfs/dbraw/zinc/60/39/85/711603985.db2.gz WVGVSDPGOHAWBY-FVOPLDGLSA-N 1 0 305.334 1.897 20 5 DDBDRO CNC(=O)C1([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CCOCC1 ZINC000895883373 711636934 /nfs/dbraw/zinc/63/69/34/711636934.db2.gz DKPWAHGYOBESRC-GQCTYLIASA-N 1 0 319.361 1.493 20 5 DDBDRO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NC12CC[NH+](CC1)C2 ZINC000913631752 713272829 /nfs/dbraw/zinc/27/28/29/713272829.db2.gz AZWHMBLPTQFYKN-UHFFFAOYSA-N 1 0 314.345 1.583 20 5 DDBDRO Cc1cccc(C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCN2C)c1[N+](=O)[O-] ZINC000896581025 711758301 /nfs/dbraw/zinc/75/83/01/711758301.db2.gz FUJHYOMQCJFABI-JSGCOSHPSA-N 1 0 320.393 1.267 20 5 DDBDRO COC[C@H]1C[NH2+]CCN1C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000904420246 711855486 /nfs/dbraw/zinc/85/54/86/711855486.db2.gz IFXDLZJMIGYHMU-GFCCVEGCSA-N 1 0 322.365 1.664 20 5 DDBDRO C[C@@H]1[C@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCN1C ZINC000905541887 712071323 /nfs/dbraw/zinc/07/13/23/712071323.db2.gz RSCNPFHJVJSBJV-UXIGCNINSA-N 1 0 309.366 1.017 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]Cc2cnn(CCF)c2)c1 ZINC000905657496 712108804 /nfs/dbraw/zinc/10/88/04/712108804.db2.gz UZAGWNBXPOMVAH-CQSZACIVSA-N 1 0 308.313 1.584 20 5 DDBDRO O=C(NCc1ccc(F)cc1)C1CC[NH+](CC[N+](=O)[O-])CC1 ZINC000929884078 713712700 /nfs/dbraw/zinc/71/27/00/713712700.db2.gz DABIYYYGCYHNBQ-UHFFFAOYSA-N 1 0 309.341 1.431 20 5 DDBDRO Cc1cncc([N+](=O)[O-])c1NC(=O)N(C)[C@H]1CC[N@@H+](C(C)C)C1 ZINC000930875224 713947471 /nfs/dbraw/zinc/94/74/71/713947471.db2.gz LMBKRLRZBVXPQV-LBPRGKRZSA-N 1 0 321.381 1.667 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000931189144 714028888 /nfs/dbraw/zinc/02/88/88/714028888.db2.gz LIQIORIDKJIIBL-CYBMUJFWSA-N 1 0 321.381 1.187 20 5 DDBDRO Cn1[nH]c(=O)c2c1C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)CC2 ZINC000931196829 714031980 /nfs/dbraw/zinc/03/19/80/714031980.db2.gz KYZILTNZENBKHQ-UHFFFAOYSA-N 1 0 318.333 1.471 20 5 DDBDRO C[N@@H+]1C[C@@]2(C)CN(C[C@H](O)c3cccc([N+](=O)[O-])c3)C[C@@]2(C)C1 ZINC000931312891 714063210 /nfs/dbraw/zinc/06/32/10/714063210.db2.gz WBTCMOFXOMQMMW-YESZJQIVSA-N 1 0 319.405 1.902 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](C2OCCO2)C1 ZINC000932000209 714229294 /nfs/dbraw/zinc/22/92/94/714229294.db2.gz AMOUFJXVZRMOCT-LBPRGKRZSA-N 1 0 308.334 1.798 20 5 DDBDRO C[C@@H]([NH2+]C[C@H](O)COC[C@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000932180617 714280181 /nfs/dbraw/zinc/28/01/81/714280181.db2.gz ASLNBIVQSVQECH-UHOFOFEASA-N 1 0 324.377 1.802 20 5 DDBDRO C[NH2+]CCN(C[C@H](O)COc1ccccc1[N+](=O)[O-])C(C)C ZINC000923432592 714354030 /nfs/dbraw/zinc/35/40/30/714354030.db2.gz GFSJSJQRTJSVCT-ZDUSSCGKSA-N 1 0 311.382 1.264 20 5 DDBDRO C[C@@H]([NH2+][C@@H]1C(=O)NCC12CCOCC2)c1cccc([N+](=O)[O-])c1 ZINC000933038705 714505898 /nfs/dbraw/zinc/50/58/98/714505898.db2.gz HAAPZPVCCVYPRC-BXUZGUMPSA-N 1 0 319.361 1.541 20 5 DDBDRO COC(=O)[C@@H]1CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000933170677 714526609 /nfs/dbraw/zinc/52/66/09/714526609.db2.gz KNCKQGHXJQPFLT-KYOSRNDESA-N 1 0 322.361 1.902 20 5 DDBDRO C[C@](CO)(Cc1ccc(F)cc1)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000933438917 714589412 /nfs/dbraw/zinc/58/94/12/714589412.db2.gz LHAVOZNLTRJHBT-OAHLLOKOSA-N 1 0 322.340 1.514 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000934192860 714764193 /nfs/dbraw/zinc/76/41/93/714764193.db2.gz CUSONVGADMSGSS-NWDGAFQWSA-N 1 0 309.370 1.089 20 5 DDBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)Cn1c(C)ncc1[N+](=O)[O-] ZINC000936059006 715146741 /nfs/dbraw/zinc/14/67/41/715146741.db2.gz KFULLBDQFWEJMB-NSHDSACASA-N 1 0 311.386 1.336 20 5 DDBDRO C[N@@H+]1CCO[C@H]2CN(c3ncnc4ccc([N+](=O)[O-])cc43)C[C@@H]21 ZINC000611712216 719389429 /nfs/dbraw/zinc/38/94/29/719389429.db2.gz XZWBNTJGLXWLND-KBPBESRZSA-N 1 0 315.333 1.057 20 5 DDBDRO COc1cccc([N+](=O)[O-])c1N[C@@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC001120959083 782257488 /nfs/dbraw/zinc/25/74/88/782257488.db2.gz FLZNAZYKKRXQIA-AAEUAGOBSA-N 1 0 308.382 1.650 20 5 DDBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccc(CF)cc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001022064142 734369168 /nfs/dbraw/zinc/36/91/68/734369168.db2.gz YFFFSJWZLSEVGQ-LXTVHRRPSA-N 1 0 321.352 1.558 20 5 DDBDRO CN(Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CCS(=O)CC1 ZINC001167685323 735672212 /nfs/dbraw/zinc/67/22/12/735672212.db2.gz JEJMBGPXZCKQMN-UHFFFAOYSA-N 1 0 322.390 1.814 20 5 DDBDRO CCn1ccnc1C(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001126412434 739942990 /nfs/dbraw/zinc/94/29/90/739942990.db2.gz FCHQFHDLIFZWJH-UHFFFAOYSA-N 1 0 317.349 1.331 20 5 DDBDRO COc1nc(SC)nc(NC2(C)CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001168183778 741757171 /nfs/dbraw/zinc/75/71/71/741757171.db2.gz MMVDWWBTOXNOPK-UHFFFAOYSA-N 1 0 313.383 1.669 20 5 DDBDRO O=C(CC1(O)CCC1)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001126842232 742358015 /nfs/dbraw/zinc/35/80/15/742358015.db2.gz MPDSTMZADMXLDH-UHFFFAOYSA-N 1 0 307.350 1.106 20 5 DDBDRO O=C(CCOCC1CC1)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001127072043 743701772 /nfs/dbraw/zinc/70/17/72/743701772.db2.gz ACJQSSDOSSDTNM-UHFFFAOYSA-N 1 0 321.377 1.617 20 5 DDBDRO Cc1cc(NC2(CNC(=O)CC[NH+](C)C)CC2)ncc1[N+](=O)[O-] ZINC001110325322 743767892 /nfs/dbraw/zinc/76/78/92/743767892.db2.gz HZGWHJLFDQKHTD-UHFFFAOYSA-N 1 0 321.381 1.311 20 5 DDBDRO Nc1nc(NC2CC[NH+](C3CCOCC3)CC2)ncc1[N+](=O)[O-] ZINC001186990122 744482325 /nfs/dbraw/zinc/48/23/25/744482325.db2.gz RCMDXKNONDJZLD-UHFFFAOYSA-N 1 0 322.369 1.022 20 5 DDBDRO CC[N@H+](C)CCC(=O)NCCCN(C)c1ncccc1[N+](=O)[O-] ZINC001095625192 750093102 /nfs/dbraw/zinc/09/31/02/750093102.db2.gz CGJFAMHBQFBCOR-UHFFFAOYSA-N 1 0 323.397 1.274 20 5 DDBDRO COc1c(F)cc(-n2cc3c(n2)CC[C@@H]([NH3+])C3)cc1[N+](=O)[O-] ZINC001168822596 762053827 /nfs/dbraw/zinc/05/38/27/762053827.db2.gz XEDWFQGZVYURKB-SECBINFHSA-N 1 0 306.297 1.744 20 5 DDBDRO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CC[C@@H]([NH3+])C1 ZINC001156228219 762067849 /nfs/dbraw/zinc/06/78/49/762067849.db2.gz DELDISNHKNGNHU-SSDOTTSWSA-N 1 0 314.729 1.357 20 5 DDBDRO Cn1c(=O)ccc2c1CC[C@@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001168962696 762157022 /nfs/dbraw/zinc/15/70/22/762157022.db2.gz MRPUNHSQUFSRGN-MRVWCRGKSA-N 1 0 305.378 1.278 20 5 DDBDRO CC(C)(C)OC(=O)NCCC[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168963161 762157578 /nfs/dbraw/zinc/15/75/78/762157578.db2.gz OFDALXJYLBWOGC-NEPJUHHUSA-N 1 0 301.387 1.936 20 5 DDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2cc(OCC3CC3)ncn2)C1 ZINC001168998876 762170771 /nfs/dbraw/zinc/17/07/71/762170771.db2.gz QRRYHXWPWRNLOK-STQMWFEESA-N 1 0 306.366 1.800 20 5 DDBDRO COCCOc1cc(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)ncn1 ZINC001168998442 762170921 /nfs/dbraw/zinc/17/09/21/762170921.db2.gz NBXZHCAQIXXIGX-VXGBXAGGSA-N 1 0 310.354 1.037 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCN(c3ccc(O)cc3)CC2)C1 ZINC001169008065 762175474 /nfs/dbraw/zinc/17/54/74/762175474.db2.gz RJGWJXYPLVZFFO-UKRRQHHQSA-N 1 0 305.378 1.960 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])cc(NCC(C)(C)C[NH+](C)C)n1 ZINC001168764749 755510338 /nfs/dbraw/zinc/51/03/38/755510338.db2.gz ZOVNHERQZFCSLU-UHFFFAOYSA-N 1 0 310.354 1.776 20 5 DDBDRO C[C@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000823693112 758344476 /nfs/dbraw/zinc/34/44/76/758344476.db2.gz ZBGVVTRUEWHCJU-QWHCGFSZSA-N 1 0 323.397 1.513 20 5 DDBDRO CC(C)C[NH+]1CCC(C2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CC1 ZINC001000148612 761541844 /nfs/dbraw/zinc/54/18/44/761541844.db2.gz HHXCHXMFZCVLMP-ZIAGYGMSSA-N 1 0 309.410 1.668 20 5 DDBDRO CC(=O)N1CCC[C@H](CNc2cc3c(cc2[N+](=O)[O-])C[NH2+]C3)C1 ZINC001168779009 761754727 /nfs/dbraw/zinc/75/47/27/761754727.db2.gz FZWYNENUZVEWRH-GFCCVEGCSA-N 1 0 318.377 1.868 20 5 DDBDRO [NH3+]Cc1cnn(-c2cc3ncnc(Cl)c3cc2[N+](=O)[O-])c1 ZINC001157472096 765303705 /nfs/dbraw/zinc/30/37/05/765303705.db2.gz WXTZMDKHOGBAQW-UHFFFAOYSA-N 1 0 304.697 1.836 20 5 DDBDRO COc1ccc(C[C@@H](C)[NH2+]CC(=O)NC2CC2)c([N+](=O)[O-])c1 ZINC001170300101 766228151 /nfs/dbraw/zinc/22/81/51/766228151.db2.gz WXZYAUBGZQAICR-SNVBAGLBSA-N 1 0 307.350 1.403 20 5 DDBDRO COc1ccc(C[C@@H](C)[NH2+][C@@H]2CCC(=O)NC2)c([N+](=O)[O-])c1 ZINC001170307840 766259573 /nfs/dbraw/zinc/25/95/73/766259573.db2.gz ISDLGDMPPQKENN-ZYHUDNBSSA-N 1 0 307.350 1.403 20 5 DDBDRO COc1ccc(C[C@H](C)N2CC[N@@H+]3CC[C@H]3C2)c([N+](=O)[O-])c1 ZINC001170355644 766261901 /nfs/dbraw/zinc/26/19/01/766261901.db2.gz NNVKFSAQQBSHDU-JSGCOSHPSA-N 1 0 305.378 1.924 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N(C(C)C)[C@H]1CC[NH2+]C1 ZINC001158023703 767656814 /nfs/dbraw/zinc/65/68/14/767656814.db2.gz ZXCNGKFZUKTYDC-JTQLQIEISA-N 1 0 308.338 1.353 20 5 DDBDRO Cc1cc(Cl)c(NCCOCCOCC[NH3+])c([N+](=O)[O-])c1 ZINC001170513002 767721398 /nfs/dbraw/zinc/72/13/98/767721398.db2.gz CPSJGFNOHOLTPE-UHFFFAOYSA-N 1 0 317.773 1.960 20 5 DDBDRO CC(=O)NCCC[NH+]1CCN(c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC001096242647 768737869 /nfs/dbraw/zinc/73/78/69/768737869.db2.gz DEUSUHHMXIMHIG-UHFFFAOYSA-N 1 0 320.393 1.551 20 5 DDBDRO Cc1ccc2c(ccnc2N[C@H]2C[NH2+]C[C@@H]2CO)c1[N+](=O)[O-] ZINC001170777002 771206410 /nfs/dbraw/zinc/20/64/10/771206410.db2.gz QHEYDEXLXFNXBJ-MFKMUULPSA-N 1 0 302.334 1.444 20 5 DDBDRO Cc1n[nH]c(C)c1C(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001135425528 771500772 /nfs/dbraw/zinc/50/07/72/771500772.db2.gz IECJEFHJRLGUEA-UHFFFAOYSA-N 1 0 317.349 1.454 20 5 DDBDRO Cc1ccnc(N[C@H]2C[C@H](NC(=O)CC[NH+](C)C)C2)c1[N+](=O)[O-] ZINC001097095708 771621671 /nfs/dbraw/zinc/62/16/71/771621671.db2.gz CLIKMJOHPCBKHH-HAQNSBGRSA-N 1 0 321.381 1.309 20 5 DDBDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001136345677 771943776 /nfs/dbraw/zinc/94/37/76/771943776.db2.gz HHXQQISIDWKSEJ-LLVKDONJSA-N 1 0 323.397 1.812 20 5 DDBDRO Cc1conc1C(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001146834023 772960191 /nfs/dbraw/zinc/96/01/91/772960191.db2.gz NJFYBLHVNBNFGB-UHFFFAOYSA-N 1 0 304.306 1.411 20 5 DDBDRO Cc1nc[nH]c1CC(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001149123638 773064291 /nfs/dbraw/zinc/06/42/91/773064291.db2.gz MVEMVEIIHYIROQ-UHFFFAOYSA-N 1 0 317.349 1.075 20 5 DDBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cnc(N)c([N+](=O)[O-])c2)C[C@@H]1C ZINC001147741599 773227596 /nfs/dbraw/zinc/22/75/96/773227596.db2.gz GEKCQQIFFCEZMA-JQWIXIFHSA-N 1 0 321.381 1.517 20 5 DDBDRO CC[NH+](CC)CC(=O)NCCNc1cc(C)ccc1[N+](=O)[O-] ZINC001093647056 774947514 /nfs/dbraw/zinc/94/75/14/774947514.db2.gz XYLPTXSFRDRDMZ-UHFFFAOYSA-N 1 0 308.382 1.773 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(NCCCNC(=O)C[NH+]2CCCC2)c1 ZINC001094434634 775859089 /nfs/dbraw/zinc/85/90/89/775859089.db2.gz NUTGMVJHVFUDCV-UHFFFAOYSA-N 1 0 320.393 1.917 20 5 DDBDRO [NH3+]CCc1ncn([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)n1 ZINC001172897592 776914049 /nfs/dbraw/zinc/91/40/49/776914049.db2.gz ARUIHNCKOGHHHN-ZDUSSCGKSA-N 1 0 301.350 1.808 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]C1CC(CO)(CO)C1)CC2 ZINC001172899541 776914837 /nfs/dbraw/zinc/91/48/37/776914837.db2.gz ALDYFIYGUVALGD-AWEZNQCLSA-N 1 0 320.389 1.565 20 5 DDBDRO CC1(C)C(=O)NC[C@H]1[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172908411 776918370 /nfs/dbraw/zinc/91/83/70/776918370.db2.gz MMVXANSWIMIPJZ-DZGCQCFKSA-N 1 0 317.389 1.956 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]CCn1ccnn1)CC2 ZINC001172895893 776928819 /nfs/dbraw/zinc/92/88/19/776928819.db2.gz JFIIZLMIFSYSAB-AWEZNQCLSA-N 1 0 301.350 1.724 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CC2(O)COC2)c1F ZINC001173180077 777034989 /nfs/dbraw/zinc/03/49/89/777034989.db2.gz SWDNMEJTAMTCNA-SECBINFHSA-N 1 0 314.313 1.024 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CC(OC)OC)c1F ZINC001173188160 777036233 /nfs/dbraw/zinc/03/62/33/777036233.db2.gz IQUYXTMFLFSPBE-VIFPVBQESA-N 1 0 316.329 1.882 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+]2CC[C@H](CO)C2)c1F ZINC001173188883 777036628 /nfs/dbraw/zinc/03/66/28/777036628.db2.gz HPOYHAGYPWJTRD-MNOVXSKESA-N 1 0 312.341 1.988 20 5 DDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@]2(CCNC2=O)C1 ZINC001173221013 777053311 /nfs/dbraw/zinc/05/33/11/777053311.db2.gz FGARWIVFGRAKBR-WBMJQRKESA-N 1 0 303.362 1.738 20 5 DDBDRO CCc1nccn1CCNC(=O)c1ccnc(NC)c1[N+](=O)[O-] ZINC001177513628 778629816 /nfs/dbraw/zinc/62/98/16/778629816.db2.gz FWUUGDXOEUECEV-UHFFFAOYSA-N 1 0 318.337 1.220 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[NH+]2CCC1CC2 ZINC001179894605 779521392 /nfs/dbraw/zinc/52/13/92/779521392.db2.gz PVTKEHARJGKOME-GFCCVEGCSA-N 1 0 304.350 1.370 20 5 DDBDRO C[NH2+]C[C@H]1CCCCN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC001119367603 781424509 /nfs/dbraw/zinc/42/45/09/781424509.db2.gz YILJFESQJGJRSF-GFCCVEGCSA-N 1 0 306.366 1.607 20 5 DDBDRO CN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ncccn1 ZINC001267444258 838057498 /nfs/dbraw/zinc/05/74/98/838057498.db2.gz WBMPUCLLKWAWER-UHFFFAOYSA-N 1 0 315.333 1.247 20 5 DDBDRO O=C(Cn1cccn1)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001154600808 861264180 /nfs/dbraw/zinc/26/41/80/861264180.db2.gz WGNKDBLZOFTWDM-UHFFFAOYSA-N 1 0 317.349 1.087 20 5 DDBDRO C[NH2+][C@H](C)CCNS(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC001326983379 861772082 /nfs/dbraw/zinc/77/20/82/861772082.db2.gz BBHNFCPKOZHIAK-LLVKDONJSA-N 1 0 315.395 1.488 20 5 DDBDRO Cc1nc(N2CCC[C@H](N3CC(C[NH3+])C3)C2)ccc1[N+](=O)[O-] ZINC001155364324 861997150 /nfs/dbraw/zinc/99/71/50/861997150.db2.gz YAQLQFIKESAOMP-ZDUSSCGKSA-N 1 0 305.382 1.158 20 5 DDBDRO CCN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)c1cn[nH]c1 ZINC001273282300 849333917 /nfs/dbraw/zinc/33/39/17/849333917.db2.gz AAYTYGMSUCHUOI-UHFFFAOYSA-N 1 0 317.349 1.570 20 5 DDBDRO O=[N+]([O-])c1cccc(NC[C@@H]2CCC3(CC[NH2+]CC3)CO2)n1 ZINC001155377722 862013777 /nfs/dbraw/zinc/01/37/77/862013777.db2.gz IWTXJJKNDKQSMO-LBPRGKRZSA-N 1 0 306.366 1.951 20 5 DDBDRO O=[N+]([O-])c1cc(Cl)cc(NCC[C@H]2CCOC23C[NH2+]C3)n1 ZINC001155476877 862134599 /nfs/dbraw/zinc/13/45/99/862134599.db2.gz IMSCWZXUYNJKQX-VIFPVBQESA-N 1 0 312.757 1.824 20 5 DDBDRO O=[N+]([O-])c1cnc(Cl)nc1NC[C@@H]1OC[C@H]2C[NH2+]CC[C@H]21 ZINC001155514764 862178501 /nfs/dbraw/zinc/17/85/01/862178501.db2.gz MLUDFDORHJYCNJ-MRTMQBJTSA-N 1 0 313.745 1.075 20 5 DDBDRO Nc1cc([N+](=O)[O-])cnc1NC[C@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001155595779 862272122 /nfs/dbraw/zinc/27/21/22/862272122.db2.gz CYUDLUADJQQKNM-HZMBPMFUSA-N 1 0 307.354 1.143 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])c(N[C@H]2CCO[C@]3(CC[NH2+]C3)C2)n1 ZINC001155623639 862307225 /nfs/dbraw/zinc/30/72/25/862307225.db2.gz UGAWNJKPNUCEDZ-SWLSCSKDSA-N 1 0 306.366 1.930 20 5 DDBDRO CCC1([NH+](C)C)CCN(C(=O)c2cnc(N)c([N+](=O)[O-])c2)CC1 ZINC001150628184 862365296 /nfs/dbraw/zinc/36/52/96/862365296.db2.gz BXVCOESEEMTXDW-UHFFFAOYSA-N 1 0 321.381 1.518 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)ncnc2N(c1ncccn1)C1C[NH2+]C1 ZINC001155869690 862524835 /nfs/dbraw/zinc/52/48/35/862524835.db2.gz JVAIJRSKJOOBET-UHFFFAOYSA-N 1 0 323.316 1.438 20 5 DDBDRO C[NH+](C)CC[C@H](NC(=O)c1cc([N+](=O)[O-])c[nH]1)c1cccnc1 ZINC001156147333 862755604 /nfs/dbraw/zinc/75/56/04/862755604.db2.gz ICJWTHMEKAJYOR-ZDUSSCGKSA-N 1 0 317.349 1.741 20 5 DDBDRO C[C@@H](CC[NH+](C)C)C(=O)N[C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC001151595238 862861925 /nfs/dbraw/zinc/86/19/25/862861925.db2.gz IUXYXSSXSFWSTD-LRDDRELGSA-N 1 0 323.393 1.506 20 5 DDBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]CCN1CCNC1=S ZINC001462690798 857276646 /nfs/dbraw/zinc/27/66/46/857276646.db2.gz XUSNZFPSNSHOFE-UHFFFAOYSA-N 1 0 314.798 1.528 20 5 DDBDRO C[NH2+][C@@H](C)CCNS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC001328388300 862944364 /nfs/dbraw/zinc/94/43/64/862944364.db2.gz QXCUWJWIUJPZCZ-NSHDSACASA-N 1 0 315.395 1.488 20 5 DDBDRO [NH3+][C@@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])CC[C@@H]1C(F)(F)F ZINC001122243863 858724706 /nfs/dbraw/zinc/72/47/06/858724706.db2.gz ZVINZEGSKRVRKY-VHSXEESVSA-N 1 0 317.267 1.947 20 5 DDBDRO CC1(C)C[NH2+]C[C@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC001122362553 858776964 /nfs/dbraw/zinc/77/69/64/858776964.db2.gz DNLILDBWPZGJBG-GFCCVEGCSA-N 1 0 311.769 1.905 20 5 DDBDRO O=C(COc1cccc([N+](=O)[O-])c1)NC[C@@H]1CCC[NH2+]CC1 ZINC001122587515 858899727 /nfs/dbraw/zinc/89/97/27/858899727.db2.gz ORALUKBKBZXUOI-GFCCVEGCSA-N 1 0 307.350 1.480 20 5 DDBDRO C[N+](C)(C)CCO[C@@H]1CCCN(C(=O)c2cccnc2F)C1 ZINC001224772616 881529161 /nfs/dbraw/zinc/52/91/61/881529161.db2.gz BAGHJEQFAZAJFI-CYBMUJFWSA-N 1 0 310.393 1.548 20 5 DDBDRO CC(=CC(=O)OC(C)C)Nc1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001156515132 863114706 /nfs/dbraw/zinc/11/47/06/863114706.db2.gz XEICIJLPLHSIHZ-WTKPLQERSA-N 1 0 321.337 1.339 20 5 DDBDRO C[C@H]1CC[C@H](NC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)C[NH2+]1 ZINC001328965485 863381233 /nfs/dbraw/zinc/38/12/33/863381233.db2.gz IQSSDTVSPLHKAA-GWCFXTLKSA-N 1 0 304.350 1.761 20 5 DDBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1NC1(C)CC[NH2+]CC1 ZINC001157403911 863791729 /nfs/dbraw/zinc/79/17/29/863791729.db2.gz ZMJGBAWKAUINBD-UHFFFAOYSA-N 1 0 308.338 1.721 20 5 DDBDRO [NH3+]Cc1cnn(-c2nc(C(F)(F)F)nc(Cl)c2[N+](=O)[O-])c1 ZINC001157478587 863850900 /nfs/dbraw/zinc/85/09/00/863850900.db2.gz RNNZJMDVVDIKFW-UHFFFAOYSA-N 1 0 322.634 1.701 20 5 DDBDRO NC(=[NH2+])c1nccn1-c1cc2ncnc(Cl)c2cc1[N+](=O)[O-] ZINC001157621288 863981257 /nfs/dbraw/zinc/98/12/57/863981257.db2.gz FDCWDIVRBQCDAI-UHFFFAOYSA-N 1 0 317.696 1.661 20 5 DDBDRO CCC[N@H+]1C[C@H]2CN(c3c(C)c([N+](=O)[O-])cc[n+]3[O-])C[C@H]2C1 ZINC001157690357 864049567 /nfs/dbraw/zinc/04/95/67/864049567.db2.gz DDWXMWDIZRIWPX-BETUJISGSA-N 1 0 306.366 1.315 20 5 DDBDRO Cc1nc[nH]c1C(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001153817255 864129265 /nfs/dbraw/zinc/12/92/65/864129265.db2.gz OIWXGDSGMOXWOG-UHFFFAOYSA-N 1 0 303.322 1.146 20 5 DDBDRO COC1CCC(Nc2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)CC1 ZINC001157811421 864162374 /nfs/dbraw/zinc/16/23/74/864162374.db2.gz VLAGAKZFLUCEOI-UHFFFAOYSA-N 1 0 307.354 1.441 20 5 DDBDRO COc1nc(N(CC(C)(C)C)C2CC[NH2+]CC2)ncc1[N+](=O)[O-] ZINC001157883549 864218350 /nfs/dbraw/zinc/21/83/50/864218350.db2.gz RIXUTBQOHMNFSE-UHFFFAOYSA-N 1 0 323.397 1.998 20 5 DDBDRO Cc1ncn(-c2ncc([N+](=O)[O-])cc2C)c1CSCC[NH3+] ZINC001157961795 864309302 /nfs/dbraw/zinc/30/93/02/864309302.db2.gz NUTUYRQKFQPCSN-UHFFFAOYSA-N 1 0 307.379 1.984 20 5 DDBDRO O=C(NCCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1ccccn1 ZINC001154136609 864440915 /nfs/dbraw/zinc/44/09/15/864440915.db2.gz JBZJZYKBYYCIOM-UHFFFAOYSA-N 1 0 314.345 1.900 20 5 DDBDRO CCN(c1c(Cl)[n+]([O-])ccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC001158204507 864486835 /nfs/dbraw/zinc/48/68/35/864486835.db2.gz FVXUTFPWUWPJEN-SECBINFHSA-N 1 0 300.746 1.460 20 5 DDBDRO COc1cc(N2CCC(N3CC[C@H]([NH3+])C3)CC2)ncc1[N+](=O)[O-] ZINC001158258620 864520998 /nfs/dbraw/zinc/52/09/98/864520998.db2.gz DVPRPZYPVGPOTG-NSHDSACASA-N 1 0 321.381 1.000 20 5 DDBDRO CCOC(=O)C1(Nc2ccc([N+](=O)[O-])c(C)n2)CC[NH+](C)CC1 ZINC001158568397 864733561 /nfs/dbraw/zinc/73/35/61/864733561.db2.gz FOICHBHDXZZSDE-UHFFFAOYSA-N 1 0 322.365 1.738 20 5 DDBDRO COC(=O)c1cnc(NCC23CC[NH+](CC2)CC3)c([N+](=O)[O-])c1 ZINC001158824584 864921652 /nfs/dbraw/zinc/92/16/52/864921652.db2.gz QKBGQUDQWLOMHT-UHFFFAOYSA-N 1 0 320.349 1.674 20 5 DDBDRO O=C(NC[C@H]1CCCC[NH2+]1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001331456824 865096173 /nfs/dbraw/zinc/09/61/73/865096173.db2.gz SDLOWZALJSXRDI-CQSZACIVSA-N 1 0 318.377 1.805 20 5 DDBDRO [NH3+]Cc1ccc2cn(-c3nc(Cl)ncc3[N+](=O)[O-])nc2c1 ZINC001160139076 865693025 /nfs/dbraw/zinc/69/30/25/865693025.db2.gz OYBXLPJOVIEKKJ-UHFFFAOYSA-N 1 0 304.697 1.836 20 5 DDBDRO Cc1cncc([N+](=O)[O-])c1N1CC[NH+](C2CCOCC2)CC1 ZINC001323138664 866374343 /nfs/dbraw/zinc/37/43/43/866374343.db2.gz UEEAKGOOMZGBRG-UHFFFAOYSA-N 1 0 306.366 1.599 20 5 DDBDRO Cc1cc([N+](=O)[O-])cnc1N(C1COC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001161274883 866485361 /nfs/dbraw/zinc/48/53/61/866485361.db2.gz JBSCAMFHDVVELG-HAQNSBGRSA-N 1 0 306.366 1.773 20 5 DDBDRO Cc1nc(N(C2COC2)[C@H]2CC[C@H]([NH3+])CC2)ncc1[N+](=O)[O-] ZINC001161279630 866488712 /nfs/dbraw/zinc/48/87/12/866488712.db2.gz BAPNYOKEBIDILR-XYPYZODXSA-N 1 0 307.354 1.168 20 5 DDBDRO C[NH+]1CCN(CCCNc2ncnc(Cl)c2[N+](=O)[O-])CC1 ZINC001161700618 866906248 /nfs/dbraw/zinc/90/62/48/866906248.db2.gz NCQZJXUXLBTVED-UHFFFAOYSA-N 1 0 314.777 1.088 20 5 DDBDRO Cc1cc(C(=O)N(CC[NH3+])CC(F)(F)F)ccc1[N+](=O)[O-] ZINC001333655228 866909071 /nfs/dbraw/zinc/90/90/71/866909071.db2.gz VCXUQMLRBODEEW-UHFFFAOYSA-N 1 0 305.256 1.866 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@@H]1CCCC[C@@H]1[NH+](C)C ZINC001333790966 867012881 /nfs/dbraw/zinc/01/28/81/867012881.db2.gz NJKWKGQVQYPTEJ-NEPJUHHUSA-N 1 0 309.370 1.089 20 5 DDBDRO Cn1ccnc1CNc1ccc([N+](=O)[O-])c(OCC[NH+](C)C)c1 ZINC001161920257 867100093 /nfs/dbraw/zinc/10/00/93/867100093.db2.gz NQMZZVRTETZVBC-UHFFFAOYSA-N 1 0 319.365 1.881 20 5 DDBDRO COC(=O)c1ccc(C[NH3+])n1-c1ncc(OC)cc1[N+](=O)[O-] ZINC001161934831 867112724 /nfs/dbraw/zinc/11/27/24/867112724.db2.gz ZSERMQIWYVHKEU-UHFFFAOYSA-N 1 0 306.278 1.034 20 5 DDBDRO CCOc1cc(NC[C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)ccc1[N+](=O)[O-] ZINC001163108485 868108895 /nfs/dbraw/zinc/10/88/95/868108895.db2.gz RWWOASOTWAHNFA-IXPVHAAZSA-N 1 0 307.350 1.640 20 5 DDBDRO O=[N+]([O-])c1cc(NC[C@]23C[NH2+]C[C@H]2COC3)cc2cccnc21 ZINC001163154437 868165454 /nfs/dbraw/zinc/16/54/54/868165454.db2.gz MLHJHETZBUIOOU-LRDDRELGSA-N 1 0 314.345 1.791 20 5 DDBDRO COc1cccc(NC[C@@H]2OC[C@H]3C[NH2+]CC[C@H]32)c1[N+](=O)[O-] ZINC001163173198 868189360 /nfs/dbraw/zinc/18/93/60/868189360.db2.gz YCMQQPMKNFHRIE-GYSYKLTISA-N 1 0 307.350 1.640 20 5 DDBDRO COc1ncc([N+](=O)[O-])c(N[C@@H]2CC[NH2+][C@H]2c2ccccc2)n1 ZINC001163209789 868216443 /nfs/dbraw/zinc/21/64/43/868216443.db2.gz YDQHNPQMJAYIPN-YPMHNXCESA-N 1 0 315.333 1.909 20 5 DDBDRO Cc1cc(Cl)c(N[C@@]23CC[NH2+][C@H]2CC(=O)N3)c([N+](=O)[O-])c1 ZINC001163253146 868262760 /nfs/dbraw/zinc/26/27/60/868262760.db2.gz CWURMNUPGHHEII-GWCFXTLKSA-N 1 0 310.741 1.547 20 5 DDBDRO COc1nc(C)c(N[C@H]2CCO[C@@]3(CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC001163324289 868351910 /nfs/dbraw/zinc/35/19/10/868351910.db2.gz RRDNYTJCAYNIDV-NHYWBVRUSA-N 1 0 322.365 1.630 20 5 DDBDRO CNC(=O)[C@H](CCCC[NH3+])Nc1ncc([N+](=O)[O-])c(C)c1C ZINC001163444747 868454233 /nfs/dbraw/zinc/45/42/33/868454233.db2.gz JKYNCHPBLCTOOZ-NSHDSACASA-N 1 0 309.370 1.262 20 5 DDBDRO COC(=O)c1ccc([C@@H]([NH3+])CNc2cc([N+](=O)[O-])ccn2)cc1 ZINC001163462513 868471042 /nfs/dbraw/zinc/47/10/42/868471042.db2.gz QXRMUTNSFQXBHN-ZDUSSCGKSA-N 1 0 316.317 1.888 20 5 DDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC001335703420 868487057 /nfs/dbraw/zinc/48/70/57/868487057.db2.gz IXQPWVKICCEZEJ-CYBMUJFWSA-N 1 0 306.366 1.734 20 5 DDBDRO C[NH+](C)[C@@H]1C[C@@H](Nc2nccc(C(N)=O)c2[N+](=O)[O-])C12CCC2 ZINC001163721491 868653996 /nfs/dbraw/zinc/65/39/96/868653996.db2.gz KEWWFGVQIKMTTN-GHMZBOCLSA-N 1 0 319.365 1.373 20 5 DDBDRO COC(=O)c1cnc(N2C[C@H](C)CC[C@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC001164070073 868924489 /nfs/dbraw/zinc/92/44/89/868924489.db2.gz MZXHHPPQQPOKQP-KOLCDFICSA-N 1 0 308.338 1.340 20 5 DDBDRO CN1CCC(CNc2cnc(F)c([N+](=O)[O-])c2)([NH+](C)C)CC1 ZINC001164213030 869022827 /nfs/dbraw/zinc/02/28/27/869022827.db2.gz MAYREVVCJVGJCJ-UHFFFAOYSA-N 1 0 311.361 1.567 20 5 DDBDRO CN(C)/C=C\c1cc(N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001165147390 869408136 /nfs/dbraw/zinc/40/81/36/869408136.db2.gz FKAQKHXNOFFWIL-XTBPLBNGSA-N 1 0 317.393 1.520 20 5 DDBDRO CC1(C)CN(c2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)CC[NH2+]1 ZINC001337269263 869409646 /nfs/dbraw/zinc/40/96/46/869409646.db2.gz QXJONPACYDBKTP-UHFFFAOYSA-N 1 0 318.377 1.675 20 5 DDBDRO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3ccc(F)cc3[N+](=O)[O-])[C@H]2C1 ZINC001338464793 869993192 /nfs/dbraw/zinc/99/31/92/869993192.db2.gz QRRKFOLAYBPVNA-FPMFFAJLSA-N 1 0 321.352 1.733 20 5 DDBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(CCNS(C)(=O)=O)cc1 ZINC001226334823 882364784 /nfs/dbraw/zinc/36/47/84/882364784.db2.gz DMMOUCJPMRPNRV-ZDUSSCGKSA-N 1 0 315.459 1.252 20 5 DDBDRO N=c1nc([C@@H]2CCC[NH2+]2)ccn1-c1cc([N+](=O)[O-])cc(Cl)n1 ZINC001166700832 870168494 /nfs/dbraw/zinc/16/84/94/870168494.db2.gz PUMYHTHQMHGIHW-VIFPVBQESA-N 1 0 320.740 1.733 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])c(-n2ccc([C@@H]3CCC[NH2+]3)nc2=N)n1 ZINC001166702091 870170645 /nfs/dbraw/zinc/17/06/45/870170645.db2.gz VDXOQLFQDGDWNH-NSHDSACASA-N 1 0 314.349 1.696 20 5 DDBDRO C[C@@H]1C[NH2+]C[C@H]1CC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC001339788734 870692359 /nfs/dbraw/zinc/69/23/59/870692359.db2.gz JLVDWRUSFHZZCB-VXGBXAGGSA-N 1 0 306.366 1.369 20 5 DDBDRO CCn1c([C@H](C)[N+](=O)[O-])nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001340123903 870906441 /nfs/dbraw/zinc/90/64/41/870906441.db2.gz LWHUDCHBBCBNFV-STQMWFEESA-N 1 0 322.413 1.700 20 5 DDBDRO CCO[C@@H](CNC(=O)NCc1ccc([N+](=O)[O-])cc1)C[NH+](C)C ZINC001341252949 871577187 /nfs/dbraw/zinc/57/71/87/871577187.db2.gz TZZYDXPWCSVPIQ-AWEZNQCLSA-N 1 0 324.381 1.361 20 5 DDBDRO Cc1cc(NC(=O)NC[C@]2(O)CC[N@@H+](C)C2)cc([N+](=O)[O-])c1 ZINC001311323313 871694221 /nfs/dbraw/zinc/69/42/21/871694221.db2.gz UGWMFVKADKRFDH-CQSZACIVSA-N 1 0 308.338 1.091 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H]1CCCC[C@H]1[NH+](C)C ZINC001318413687 872016462 /nfs/dbraw/zinc/01/64/62/872016462.db2.gz NXTPSJUIXPBUBR-VXGBXAGGSA-N 1 0 309.370 1.089 20 5 DDBDRO C[C@@H]1C[NH2+][C@@H](C)[C@H](C)N1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC001342628967 872304629 /nfs/dbraw/zinc/30/46/29/872304629.db2.gz JSZGOFKLQHOTDD-AGIUHOORSA-N 1 0 321.377 1.961 20 5 DDBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001343655365 872704392 /nfs/dbraw/zinc/70/43/92/872704392.db2.gz MIBHRGIYDYVYMG-IMRBUKKESA-N 1 0 321.402 1.997 20 5 DDBDRO C[C@H](CNC(=O)C[C@@H]1COCC[NH2+]1)c1ccccc1[N+](=O)[O-] ZINC001345324615 873354326 /nfs/dbraw/zinc/35/43/26/873354326.db2.gz LRNZDYFPGDDXFG-VXGBXAGGSA-N 1 0 307.350 1.193 20 5 DDBDRO O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1C[C@@H]1CCC[NH2+]C1 ZINC001345781236 873515191 /nfs/dbraw/zinc/51/51/91/873515191.db2.gz MUSOXPJXKCDVCI-GFCCVEGCSA-N 1 0 314.345 1.818 20 5 DDBDRO CCOC(=O)c1cc(C[NH2+]CCc2ccccc2[N+](=O)[O-])[nH]n1 ZINC001346043762 873598688 /nfs/dbraw/zinc/59/86/88/873598688.db2.gz IMACMYKDMRAYJP-UHFFFAOYSA-N 1 0 318.333 1.827 20 5 DDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001346355431 873712864 /nfs/dbraw/zinc/71/28/64/873712864.db2.gz WVEYUTPKRIZGAK-FRRDWIJNSA-N 1 0 304.350 1.329 20 5 DDBDRO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CNc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC001348747746 874758272 /nfs/dbraw/zinc/75/82/72/874758272.db2.gz PBKDVQJZQYUTPO-XQQFMLRXSA-N 1 0 318.377 1.463 20 5 DDBDRO C[NH2+][C@H](C)CCNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC001349306613 875104903 /nfs/dbraw/zinc/10/49/03/875104903.db2.gz LZUYKOKNBSLBTI-LLVKDONJSA-N 1 0 315.395 1.055 20 5 DDBDRO [NH3+]CC12CCC(CC1)N2C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001353497386 877376594 /nfs/dbraw/zinc/37/65/94/877376594.db2.gz BUVLVBWYOSMTFT-UHFFFAOYSA-N 1 0 316.361 1.986 20 5 DDBDRO COc1ccc(CNC(=O)[C@]23CC[C@H]2C[NH2+]C3)cc1[N+](=O)[O-] ZINC001357205205 879854780 /nfs/dbraw/zinc/85/47/80/879854780.db2.gz UHDBKESSPMTKCW-NHYWBVRUSA-N 1 0 305.334 1.219 20 5 DDBDRO COc1ccc(CO[C@@H]2C[C@@H]3CC(=O)C[C@H]2[N@@H+]3C)cc1[N+](=O)[O-] ZINC001223651285 881042442 /nfs/dbraw/zinc/04/24/42/881042442.db2.gz VJYUWYOHJWGHIP-NORZTCDRSA-N 1 0 320.345 1.924 20 5 DDBDRO CO[C@@H]1CC[N@H+](CCOCc2ncc(C)c([N+](=O)[O-])c2C)C1 ZINC001224185865 881260609 /nfs/dbraw/zinc/26/06/09/881260609.db2.gz RNIBSKPMUSXDFS-CYBMUJFWSA-N 1 0 309.366 1.844 20 5 DDBDRO C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@@H]2Oc1ncc([N+](=O)[O-])c2nc[nH]c21 ZINC001227694219 883135831 /nfs/dbraw/zinc/13/58/31/883135831.db2.gz FGJIUFWFUTYLPH-WDAIWFPHSA-N 1 0 317.349 1.975 20 5 DDBDRO COc1cc(F)c(OC(=O)C[C@@H](O)C[N+](C)(C)C)c(F)c1 ZINC001227894092 883218283 /nfs/dbraw/zinc/21/82/83/883218283.db2.gz GJZIMAHJNAQIGR-SECBINFHSA-N 1 0 304.313 1.336 20 5 DDBDRO O=c1[nH]cnc(O[C@H]2CC[C@H]([NH+]3CCOCC3)CC2)c1[N+](=O)[O-] ZINC001228141506 883359248 /nfs/dbraw/zinc/35/92/48/883359248.db2.gz QYSQYCVORGFFBO-XYPYZODXSA-N 1 0 324.337 1.113 20 5 DDBDRO Cc1cc2[nH]c(OC[C@H]3CN(C)CCO3)nc2cc1[N+](=O)[O-] ZINC001228673250 883611239 /nfs/dbraw/zinc/61/12/39/883611239.db2.gz DIRUELFMYQSBGP-SNVBAGLBSA-N 1 0 306.322 1.489 20 5 DDBDRO CC[N@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1cccnc1 ZINC001230763178 884845948 /nfs/dbraw/zinc/84/59/48/884845948.db2.gz UBYHXPHFSKRRGN-ZIAGYGMSSA-N 1 0 306.366 1.075 20 5 DDBDRO Cc1cc(=O)c2ccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)cc2o1 ZINC001231169647 885314124 /nfs/dbraw/zinc/31/41/24/885314124.db2.gz VQHMQULWEZWBJW-GFCCVEGCSA-N 1 0 320.365 1.464 20 5 DDBDRO COc1cc(C(=O)N2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)ccc1[N+](=O)[O-] ZINC001289377337 913190367 /nfs/dbraw/zinc/19/03/67/913190367.db2.gz RIIMWUNMHUKSCD-WBMJQRKESA-N 1 0 319.361 1.627 20 5 DDBDRO COC(=O)c1cccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)c1C ZINC001234402635 887937067 /nfs/dbraw/zinc/93/70/67/887937067.db2.gz WDWDMIRXWRWQJQ-GFCCVEGCSA-N 1 0 310.370 1.144 20 5 DDBDRO CCOC(=O)C1=C(N[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C[NH2+]C1 ZINC001246350849 892558228 /nfs/dbraw/zinc/55/82/28/892558228.db2.gz PSGOVZJTHRQJTB-LBPRGKRZSA-N 1 0 317.345 1.072 20 5 DDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CCN[C@]2(CC[NH2+]C2)C1 ZINC001246638662 892761952 /nfs/dbraw/zinc/76/19/52/892761952.db2.gz BTVHVMQGCYQJDN-BBRMVZONSA-N 1 0 304.394 1.163 20 5 DDBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@]23CC[C@@H]2C[NH2+]C3)n1 ZINC001247887222 893457536 /nfs/dbraw/zinc/45/75/36/893457536.db2.gz PNLBRRIKAPZJKZ-UHLUBPPHSA-N 1 0 305.269 1.430 20 5 DDBDRO Nc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC001292743248 913972938 /nfs/dbraw/zinc/97/29/38/913972938.db2.gz AVZUXCJZMUKQIH-GFCCVEGCSA-N 1 0 304.350 1.487 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC([N@H+]3CC[C@@H](F)[C@H](O)C3)CC2)cc1 ZINC001254473927 896455691 /nfs/dbraw/zinc/45/56/91/896455691.db2.gz JRDYLFDMQZAHSL-HZPDHXFCSA-N 1 0 323.368 1.968 20 5 DDBDRO CC(=O)N1C[C@@H]2C[C@]2([NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001254532343 896487679 /nfs/dbraw/zinc/48/76/79/896487679.db2.gz NEFZRQIMYIHGHB-WPGHFRTFSA-N 1 0 303.362 1.736 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCC2(CNC(=O)N2)CC1 ZINC001254563674 896502041 /nfs/dbraw/zinc/50/20/41/896502041.db2.gz BAPHPGYEQNBVMQ-GFCCVEGCSA-N 1 0 318.377 1.673 20 5 DDBDRO NC(=O)[C@@H]([NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC001254580803 896513489 /nfs/dbraw/zinc/51/34/89/896513489.db2.gz FYRPKFLLRUXCBF-ZBFHGGJFSA-N 1 0 311.341 1.878 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]CCN1CCC[C@H](O)C1)C2 ZINC001254580956 896513727 /nfs/dbraw/zinc/51/37/27/896513727.db2.gz IQZIFPXZIJQCCN-ZBFHGGJFSA-N 1 0 305.378 1.108 20 5 DDBDRO CC(=O)NCCCCC[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254582357 896515067 /nfs/dbraw/zinc/51/50/67/896515067.db2.gz SKWNIPINNYAIQP-HNNXBMFYSA-N 1 0 305.378 1.958 20 5 DDBDRO CCOC(=O)[C@H]1[C@@H]2C[N@H+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C[C@@H]21 ZINC001254606467 896527818 /nfs/dbraw/zinc/52/78/18/896527818.db2.gz GTPHTMKUKYAWHD-CAOSSQGBSA-N 1 0 316.357 1.803 20 5 DDBDRO O=C1NCC[C@H]2C[N@@H+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C[C@@H]12 ZINC001254608758 896529940 /nfs/dbraw/zinc/52/99/40/896529940.db2.gz SLUNJKYSTNQONM-NILFDRSVSA-N 1 0 301.346 1.130 20 5 DDBDRO COc1cc(N2CCC([NH2+][C@H]3C[C@@H](O)C3)CC2)ccc1[N+](=O)[O-] ZINC001256087296 897280010 /nfs/dbraw/zinc/28/00/10/897280010.db2.gz VWMWXIQJTIQSAV-XBXGTLAGSA-N 1 0 321.377 1.685 20 5 DDBDRO COc1ncc(CC[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC001262558585 900243440 /nfs/dbraw/zinc/24/34/40/900243440.db2.gz KCLBQINRNYALSZ-CQSZACIVSA-N 1 0 318.333 1.259 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21 ZINC001262724704 900337639 /nfs/dbraw/zinc/33/76/39/900337639.db2.gz BXFPMMRXZGEPHV-GOEBONIOSA-N 1 0 321.377 1.541 20 5 DDBDRO C[NH2+]C1CC(C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC001263096223 900495433 /nfs/dbraw/zinc/49/54/33/900495433.db2.gz LACPPXOQAUUMLA-UHFFFAOYSA-N 1 0 318.377 1.241 20 5 DDBDRO O=C([C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001263106714 900502537 /nfs/dbraw/zinc/50/25/37/900502537.db2.gz CZCAYLVLIXDYPD-OSRDXIQISA-N 1 0 301.346 1.376 20 5 DDBDRO CCOCC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001265465020 902042721 /nfs/dbraw/zinc/04/27/21/902042721.db2.gz WYHVOVXDMNAJIY-JOCQHMNTSA-N 1 0 307.350 1.368 20 5 DDBDRO Cc1ncc(C[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCC2)s1 ZINC001280480532 903723293 /nfs/dbraw/zinc/72/32/93/903723293.db2.gz RIYVWIAUPYYPRJ-VXGBXAGGSA-N 1 0 324.406 1.245 20 5 DDBDRO C[C@@H]1C[C@@H](NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC[NH2+]1 ZINC000278284384 214067830 /nfs/dbraw/zinc/06/78/30/214067830.db2.gz QGOJKWJYNUSYAN-ZJUUUORDSA-N 1 0 311.313 1.369 20 5 DDBDRO [NH3+]CC[C@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)C(F)F ZINC000449624802 230623323 /nfs/dbraw/zinc/62/33/23/230623323.db2.gz NTQCZBSLTRLZFQ-NSHDSACASA-N 1 0 301.293 1.626 20 5 DDBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)CS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000081902066 192337332 /nfs/dbraw/zinc/33/73/32/192337332.db2.gz KNUZDDZCJKMIJF-WDEREUQCSA-N 1 0 300.380 1.987 20 5 DDBDRO O=C(N[C@@H]1C[NH2+]CCC1(F)F)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000449668385 230630125 /nfs/dbraw/zinc/63/01/25/230630125.db2.gz SUPDUOGKVWPPLT-SNVBAGLBSA-N 1 0 319.695 1.975 20 5 DDBDRO C[C@@H]1CN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC[N@@H+]1CCO ZINC000302443699 230247969 /nfs/dbraw/zinc/24/79/69/230247969.db2.gz QWVBYNWSHUKIGD-GFCCVEGCSA-N 1 0 316.361 1.646 20 5 DDBDRO O=[N+]([O-])c1cc(F)c(CN2CCC[C@@H](OCCO)C2)c(F)c1 ZINC000286614722 219084416 /nfs/dbraw/zinc/08/44/16/219084416.db2.gz YMXCGTYVYQPPCX-LLVKDONJSA-N 1 0 316.304 1.846 20 5 DDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000420436350 529730720 /nfs/dbraw/zinc/73/07/20/529730720.db2.gz UAKOKELPGNJYLI-CABZTGNLSA-N 1 0 313.379 1.267 20 5 DDBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1cccc(O)c1 ZINC000181495904 199305754 /nfs/dbraw/zinc/30/57/54/199305754.db2.gz PWDYKUJHGDMSIO-LLVKDONJSA-N 1 0 303.318 1.813 20 5 DDBDRO COc1cc(C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000272655473 282318078 /nfs/dbraw/zinc/31/80/78/282318078.db2.gz QOENHQLPGOEZRN-FZMZJTMJSA-N 1 0 319.361 1.770 20 5 DDBDRO CC[N@@H+]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000286724888 219131392 /nfs/dbraw/zinc/13/13/92/219131392.db2.gz XKNFWFYTUWKRAW-LLVKDONJSA-N 1 0 306.366 1.220 20 5 DDBDRO C[NH2+]Cc1ccc(NC(=O)CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000295237961 530005696 /nfs/dbraw/zinc/00/56/96/530005696.db2.gz ORKQQUGICFBDLH-UHFFFAOYSA-N 1 0 303.322 1.540 20 5 DDBDRO C[C@@H]1C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CCCO1 ZINC000181706847 199341656 /nfs/dbraw/zinc/34/16/56/199341656.db2.gz ZXVGBDRWWXNVCC-OLZOCXBDSA-N 1 0 310.350 1.445 20 5 DDBDRO CNc1ccc(C(=O)N(C)[C@H]2C[NH+]3CCC2CC3)cc1[N+](=O)[O-] ZINC000324212066 282410139 /nfs/dbraw/zinc/41/01/39/282410139.db2.gz DEXREKKUKNPEKP-HNNXBMFYSA-N 1 0 318.377 1.803 20 5 DDBDRO C[C@H]1CN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC[C@@H]1[NH3+] ZINC000269182178 290763009 /nfs/dbraw/zinc/76/30/09/290763009.db2.gz DRUAWMKEMJAESG-ONGXEEELSA-N 1 0 321.333 1.175 20 5 DDBDRO C[NH2+][C@@H]1CCN(S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])C1 ZINC000440730410 290816515 /nfs/dbraw/zinc/81/65/15/290816515.db2.gz HWSLOPKAPXMNTL-LLVKDONJSA-N 1 0 313.379 1.194 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000277549812 213609882 /nfs/dbraw/zinc/60/98/82/213609882.db2.gz IQPPIMJAZXDQLN-UHFFFAOYSA-N 1 0 319.361 1.960 20 5 DDBDRO O=C(NC[C@H]1CC[NH2+]C1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000342717151 282615934 /nfs/dbraw/zinc/61/59/34/282615934.db2.gz GGYYEVDLIZTYJN-NSHDSACASA-N 1 0 315.333 1.120 20 5 DDBDRO CCCC[C@@H](C[NH3+])NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000150306602 186056585 /nfs/dbraw/zinc/05/65/85/186056585.db2.gz LHDJZXGKYJBDAQ-NSHDSACASA-N 1 0 315.395 1.699 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)NCCC[NH+]1CCCCC1 ZINC000028030118 352226779 /nfs/dbraw/zinc/22/67/79/352226779.db2.gz DJSVSHUHGGRNCU-UHFFFAOYSA-N 1 0 321.377 1.966 20 5 DDBDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000032662934 352283272 /nfs/dbraw/zinc/28/32/72/352283272.db2.gz YUODANDHBYMBSQ-NSHDSACASA-N 1 0 306.366 1.781 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CCc3ccccn3)CC2)cn1 ZINC000046228759 352443991 /nfs/dbraw/zinc/44/39/91/352443991.db2.gz RIMOHNCSAOIWSL-UHFFFAOYSA-N 1 0 313.361 1.750 20 5 DDBDRO C[C@@H](Cc1ccsc1)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000049181773 352552465 /nfs/dbraw/zinc/55/24/65/352552465.db2.gz MGLSQRQJOYEGFC-GXFFZTMASA-N 1 0 310.379 1.435 20 5 DDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000173181327 198192555 /nfs/dbraw/zinc/19/25/55/198192555.db2.gz JCAYCOCRPXDHAY-CYBMUJFWSA-N 1 0 303.362 1.738 20 5 DDBDRO COc1ccc(CC(=O)NCCC[N@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000067906684 353074347 /nfs/dbraw/zinc/07/43/47/353074347.db2.gz RNXOKBLTFOGACX-UHFFFAOYSA-N 1 0 323.393 1.992 20 5 DDBDRO O=C(CN1CC[C@H](CO)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000174705451 198372803 /nfs/dbraw/zinc/37/28/03/198372803.db2.gz CTWDBUBROAVZIN-VIFPVBQESA-N 1 0 313.741 1.501 20 5 DDBDRO Cc1cnc(N2CCC([N@H+]3CCO[C@H](C)C3)CC2)c([N+](=O)[O-])c1 ZINC000078632057 353526294 /nfs/dbraw/zinc/52/62/94/353526294.db2.gz AAFNLQFZZPJSRD-CYBMUJFWSA-N 1 0 320.393 1.988 20 5 DDBDRO C[NH+](C)CCCNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000077922603 353497657 /nfs/dbraw/zinc/49/76/57/353497657.db2.gz SEHGSYPHYXCWOK-UHFFFAOYSA-N 1 0 317.349 1.462 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@]3(CCCOC3)C2)c1 ZINC000355776138 291003642 /nfs/dbraw/zinc/00/36/42/291003642.db2.gz BBSUGMQCQXLIPY-CABCVRRESA-N 1 0 324.381 1.045 20 5 DDBDRO CC[C@H](CO)[NH+]1CCN(Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000093739928 353905007 /nfs/dbraw/zinc/90/50/07/353905007.db2.gz ZKTZIHIFRKXLKP-OAHLLOKOSA-N 1 0 307.394 1.792 20 5 DDBDRO C[NH+](C)[C@@H]1CCCN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000277063340 213271704 /nfs/dbraw/zinc/27/17/04/213271704.db2.gz DFODQAQRFNQCIK-CYBMUJFWSA-N 1 0 320.393 1.949 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000144000699 354152556 /nfs/dbraw/zinc/15/25/56/354152556.db2.gz SIQUMQIABSPGHP-SNVBAGLBSA-N 1 0 305.334 1.570 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]Cc2cc(F)ccc2F)c1 ZINC000315849357 354497694 /nfs/dbraw/zinc/49/76/94/354497694.db2.gz NXCVQLAUSBUKLQ-GFCCVEGCSA-N 1 0 312.276 1.220 20 5 DDBDRO CC[C@H]1CN(C(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000316789013 354506483 /nfs/dbraw/zinc/50/64/83/354506483.db2.gz HHEIUUWILUPUQL-CMPLNLGQSA-N 1 0 307.350 1.803 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2 ZINC000318828630 354517999 /nfs/dbraw/zinc/51/79/99/354517999.db2.gz DWAUYSNPYAQBDF-ZETCQYMHSA-N 1 0 321.362 1.458 20 5 DDBDRO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc([N+](=O)[O-])cc1F)C2 ZINC000319354701 354520699 /nfs/dbraw/zinc/52/06/99/354520699.db2.gz UHCGSBUBWROOQT-BONVTDFDSA-N 1 0 307.325 1.935 20 5 DDBDRO COc1ccc(Cn2cc(C3CC[NH2+]CC3)nn2)cc1[N+](=O)[O-] ZINC000404597102 354676127 /nfs/dbraw/zinc/67/61/27/354676127.db2.gz RRXVXKVZQORYIJ-UHFFFAOYSA-N 1 0 317.349 1.710 20 5 DDBDRO Cc1ccnc(N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)c1[N+](=O)[O-] ZINC000584712017 354750059 /nfs/dbraw/zinc/75/00/59/354750059.db2.gz AROJADRGLBLELG-OCCSQVGLSA-N 1 0 306.366 1.631 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[N@@H+](CCO)Cc2cccc(F)c2)n1 ZINC000494226614 235009506 /nfs/dbraw/zinc/00/95/06/235009506.db2.gz IWZHLXGQQFFIEF-UHFFFAOYSA-N 1 0 308.313 1.425 20 5 DDBDRO C[N@@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C[C@H](O)C1CC1 ZINC000589198284 354972713 /nfs/dbraw/zinc/97/27/13/354972713.db2.gz YPULFFCSHWALHC-ZDUSSCGKSA-N 1 0 308.334 1.569 20 5 DDBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000590590219 355122382 /nfs/dbraw/zinc/12/23/82/355122382.db2.gz WHCUEBOGGLBGOD-GHMZBOCLSA-N 1 0 313.379 1.308 20 5 DDBDRO COc1cccc(C(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)c1[N+](=O)[O-] ZINC000590447422 355099446 /nfs/dbraw/zinc/09/94/46/355099446.db2.gz XDCSNEKQAIPBIM-PWSUYJOCSA-N 1 0 305.334 1.380 20 5 DDBDRO O=[N+]([O-])c1cnc(N2CCC[N@H+](C[C@@H]3CCCO3)CC2)c(F)c1 ZINC000591138797 355253462 /nfs/dbraw/zinc/25/34/62/355253462.db2.gz VLYGFVQSXJYMBI-ZDUSSCGKSA-N 1 0 324.356 1.820 20 5 DDBDRO CC1CC[NH+](C[C@H](O)CNc2ncc([N+](=O)[O-])cc2F)CC1 ZINC000591146262 355254427 /nfs/dbraw/zinc/25/44/27/355254427.db2.gz REXRQGDRBPLKMQ-GFCCVEGCSA-N 1 0 312.345 1.634 20 5 DDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000591448435 355313559 /nfs/dbraw/zinc/31/35/59/355313559.db2.gz HRUPHTCIGYOPTL-JMSVASOKSA-N 1 0 318.377 1.606 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCCSC1 ZINC000591749710 355376534 /nfs/dbraw/zinc/37/65/34/355376534.db2.gz QPNUHDYNZIRZRA-VXGBXAGGSA-N 1 0 312.391 1.820 20 5 DDBDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000591682029 355360946 /nfs/dbraw/zinc/36/09/46/355360946.db2.gz MXXCHPXCOOSIIL-BDAKNGLRSA-N 1 0 307.306 1.133 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)n1 ZINC000591893109 355414500 /nfs/dbraw/zinc/41/45/00/355414500.db2.gz SWDNBBAXUYUAPQ-NEPJUHHUSA-N 1 0 321.381 1.415 20 5 DDBDRO CC[C@@H]1CN(C(=O)CCn2cc([N+](=O)[O-])nc2C)CC[C@H]1[NH3+] ZINC000592332189 355560966 /nfs/dbraw/zinc/56/09/66/355560966.db2.gz FNQAYWROTDVBCH-VXGBXAGGSA-N 1 0 309.370 1.076 20 5 DDBDRO CCOC(=O)c1cc(C(=O)NCC[NH2+]C2CC2)cc([N+](=O)[O-])c1 ZINC000592295376 355554131 /nfs/dbraw/zinc/55/41/31/355554131.db2.gz CMZVNDIXXWZATP-UHFFFAOYSA-N 1 0 321.333 1.253 20 5 DDBDRO C[C@@H]([NH3+])[C@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)CCO1 ZINC000592307408 355556308 /nfs/dbraw/zinc/55/63/08/355556308.db2.gz HWTFZZLWOPYUCE-BXUZGUMPSA-N 1 0 307.350 1.102 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000592307853 355556334 /nfs/dbraw/zinc/55/63/34/355556334.db2.gz JSCWELPEDVQIGQ-RISCZKNCSA-N 1 0 307.350 1.400 20 5 DDBDRO CC1(C)[C@H](O)C[C@@H]1[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000592432483 355581680 /nfs/dbraw/zinc/58/16/80/355581680.db2.gz KHHSWRWCGOXPAE-QWHCGFSZSA-N 1 0 307.350 1.672 20 5 DDBDRO Cc1c(NC(=O)CCN2CC[NH2+]CC2(C)C)cccc1[N+](=O)[O-] ZINC000592473576 355592745 /nfs/dbraw/zinc/59/27/45/355592745.db2.gz BSBYKFZDSAEIHG-UHFFFAOYSA-N 1 0 320.393 1.916 20 5 DDBDRO CC[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000593066440 355785666 /nfs/dbraw/zinc/78/56/66/355785666.db2.gz DFIKAPDUOUSECX-CYBMUJFWSA-N 1 0 307.350 1.695 20 5 DDBDRO CN(CC[NH+]1CCCC1)C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593452240 355888727 /nfs/dbraw/zinc/88/87/27/355888727.db2.gz VDSONEHRTVIXJO-UHFFFAOYSA-N 1 0 309.341 1.831 20 5 DDBDRO CC(C)C[N@H+](C)CCCNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000593754446 355987245 /nfs/dbraw/zinc/98/72/45/355987245.db2.gz NGEFAIPJLVBGEE-UHFFFAOYSA-N 1 0 308.382 1.885 20 5 DDBDRO C[C@@H]([NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000177261877 198695761 /nfs/dbraw/zinc/69/57/61/198695761.db2.gz SPJHVJPSJIGWRC-SNVBAGLBSA-N 1 0 313.379 1.261 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000593916897 356059221 /nfs/dbraw/zinc/05/92/21/356059221.db2.gz TYCBJMZIOSHWSY-AAEUAGOBSA-N 1 0 323.397 1.466 20 5 DDBDRO CCC(C)(C)[NH+]1CCN(C(=O)c2c([N+](=O)[O-])cnn2C)CC1 ZINC000594389135 356193416 /nfs/dbraw/zinc/19/34/16/356193416.db2.gz FSPNTWFJVNGNQQ-UHFFFAOYSA-N 1 0 309.370 1.275 20 5 DDBDRO O=C(NC[C@@H]1CCC[NH2+]C1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000594624809 356268791 /nfs/dbraw/zinc/26/87/91/356268791.db2.gz CFFIVJUGWDRQDS-SNVBAGLBSA-N 1 0 302.334 1.806 20 5 DDBDRO Cn1nnc2c1CC[C@@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])C2 ZINC000594511942 356240921 /nfs/dbraw/zinc/24/09/21/356240921.db2.gz ALSMGBZAMHRVSM-DIECRNLCSA-N 1 0 313.361 1.884 20 5 DDBDRO COC1CC(CC[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000594718263 356295592 /nfs/dbraw/zinc/29/55/92/356295592.db2.gz MNDLNUBUWJEIET-ROKHWSDSSA-N 1 0 324.377 1.739 20 5 DDBDRO CS(=O)(=O)CC1(CC[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000594949651 356362999 /nfs/dbraw/zinc/36/29/99/356362999.db2.gz GHVADKVKWSQBPN-UHFFFAOYSA-N 1 0 312.391 1.899 20 5 DDBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@@]1(OCCO)CCOC1 ZINC000595072220 356377825 /nfs/dbraw/zinc/37/78/25/356377825.db2.gz QSSVQFHMZUQXEW-HOCLYGCPSA-N 1 0 322.361 1.340 20 5 DDBDRO Cc1c([C@@H](C)[NH2+]C[C@]2(OCCO)CCOC2)cccc1[N+](=O)[O-] ZINC000595077902 356379109 /nfs/dbraw/zinc/37/91/09/356379109.db2.gz KNHASIAKATZHRR-CZUORRHYSA-N 1 0 324.377 1.722 20 5 DDBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CCC(=O)N1 ZINC000595091482 356381181 /nfs/dbraw/zinc/38/11/81/356381181.db2.gz RGCLFAOJGYNYSU-JQWIXIFHSA-N 1 0 320.349 1.180 20 5 DDBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCC(=O)N2)cc1[N+](=O)[O-] ZINC000595089307 356381319 /nfs/dbraw/zinc/38/13/19/356381319.db2.gz HFPLUGGPRIUPHT-JQWIXIFHSA-N 1 0 307.350 1.923 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N(C)CC(C)(C)[NH3+])c1 ZINC000595115544 356384617 /nfs/dbraw/zinc/38/46/17/356384617.db2.gz HTOIHDVXKDVLJD-UHFFFAOYSA-N 1 0 315.395 1.569 20 5 DDBDRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000184337714 199704034 /nfs/dbraw/zinc/70/40/34/199704034.db2.gz XUVLXWWKATVMPM-CYBMUJFWSA-N 1 0 320.393 1.351 20 5 DDBDRO Cc1noc(C[N@@H+]2C[C@H](O)C[C@H]2[C@H]2CCCOC2)c1[N+](=O)[O-] ZINC000595528105 356534465 /nfs/dbraw/zinc/53/44/65/356534465.db2.gz PYZVJSDWAHZNQM-TUAOUCFPSA-N 1 0 311.338 1.253 20 5 DDBDRO C[C@H]1C[N@H+](CCCNC(=O)c2ccc([N+](=O)[O-])n2C)CCCO1 ZINC000347094713 283175948 /nfs/dbraw/zinc/17/59/48/283175948.db2.gz DZNWNCIHDJSWHG-LBPRGKRZSA-N 1 0 324.381 1.164 20 5 DDBDRO CCC[NH2+]CCNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000236851826 202037832 /nfs/dbraw/zinc/03/78/32/202037832.db2.gz JMPGBPCHTIKEGF-UHFFFAOYSA-N 1 0 317.349 1.510 20 5 DDBDRO COc1cc(C[N@H+](CCOCCO)C2CCC2)ccc1[N+](=O)[O-] ZINC000595595740 356568417 /nfs/dbraw/zinc/56/84/17/356568417.db2.gz LOIUJBAETUJHCB-UHFFFAOYSA-N 1 0 324.377 1.967 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H](CO)C1CCC1 ZINC000595617464 356578714 /nfs/dbraw/zinc/57/87/14/356578714.db2.gz UGGMJDXZIGNABO-OLZOCXBDSA-N 1 0 310.350 1.085 20 5 DDBDRO CC(C)(CNC(=O)Cn1cc([N+](=O)[O-])cn1)C[NH+]1CCCC1 ZINC000276936584 213187393 /nfs/dbraw/zinc/18/73/93/213187393.db2.gz YSSLNJXXQJKGFC-UHFFFAOYSA-N 1 0 309.370 1.030 20 5 DDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@H](C)[C@@](C)(CO)C1 ZINC000595869412 356685984 /nfs/dbraw/zinc/68/59/84/356685984.db2.gz CWGFIAOHWNAVAQ-HWWQOWPSSA-N 1 0 321.377 1.872 20 5 DDBDRO COC(=O)c1cc(NC(=O)[C@H]2[NH2+]CCC2(C)C)cc([N+](=O)[O-])c1 ZINC000595928304 356708110 /nfs/dbraw/zinc/70/81/10/356708110.db2.gz BSMMADJOLMLZEJ-GFCCVEGCSA-N 1 0 321.333 1.708 20 5 DDBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NCC23CC(C2)C[NH2+]3)c1 ZINC000595949885 356720078 /nfs/dbraw/zinc/72/00/78/356720078.db2.gz HDLWZSUPOPGEEU-UHFFFAOYSA-N 1 0 307.375 1.799 20 5 DDBDRO C[C@@]1(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC[NH2+]C1 ZINC000595992376 356738771 /nfs/dbraw/zinc/73/87/71/356738771.db2.gz PVILFYZYUOFKRQ-OAHLLOKOSA-N 1 0 315.333 1.262 20 5 DDBDRO CN(CC(C)(C)[NH3+])C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000595934500 356710798 /nfs/dbraw/zinc/71/07/98/356710798.db2.gz MPZPDPCLXILPAP-UHFFFAOYSA-N 1 0 317.349 1.590 20 5 DDBDRO Nc1ccc(N2CCC[C@@H](C3CC[NH2+]CC3)C2)nc1[N+](=O)[O-] ZINC000596014028 356746546 /nfs/dbraw/zinc/74/65/46/356746546.db2.gz KRMZDBBMJZKEEU-GFCCVEGCSA-N 1 0 305.382 1.788 20 5 DDBDRO COc1ccc(C[NH2+][C@H](C)CN2CCOCC2)cc1[N+](=O)[O-] ZINC000237159384 202170657 /nfs/dbraw/zinc/17/06/57/202170657.db2.gz WPWBPHOBWVVRBX-GFCCVEGCSA-N 1 0 309.366 1.414 20 5 DDBDRO CCN(C(=O)NCCc1ccccc1[N+](=O)[O-])[C@H]1CC[N@H+](C)C1 ZINC000596420132 356873637 /nfs/dbraw/zinc/87/36/37/356873637.db2.gz XEPQBVFKNHBYKC-AWEZNQCLSA-N 1 0 320.393 1.873 20 5 DDBDRO Cc1nc(N2CCC([N@@H+]3CC[C@H](O)C3)CC2)ccc1[N+](=O)[O-] ZINC000596537432 356910388 /nfs/dbraw/zinc/91/03/88/356910388.db2.gz FXKOJHRVURLXDY-ZDUSSCGKSA-N 1 0 306.366 1.334 20 5 DDBDRO COc1cc(C(=O)NCC2([NH3+])CCCCC2)ccc1[N+](=O)[O-] ZINC000237251793 202206887 /nfs/dbraw/zinc/20/68/87/202206887.db2.gz IWJCVBZWJKKUQA-UHFFFAOYSA-N 1 0 307.350 1.995 20 5 DDBDRO C[C@@H](O)C1([NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000597234711 357104067 /nfs/dbraw/zinc/10/40/67/357104067.db2.gz OYSLMBBUCDJELE-WDEREUQCSA-N 1 0 307.350 1.815 20 5 DDBDRO COC(=O)COc1ccc(C[NH2+]C2([C@@H](C)O)CC2)cc1[N+](=O)[O-] ZINC000597234715 357105226 /nfs/dbraw/zinc/10/52/26/357105226.db2.gz PDDCDTVELQKDBD-SNVBAGLBSA-N 1 0 324.333 1.150 20 5 DDBDRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000597701597 357291865 /nfs/dbraw/zinc/29/18/65/357291865.db2.gz VBPNOEWTJVDKSX-GXSJLCMTSA-N 1 0 321.333 1.488 20 5 DDBDRO CCc1n[nH]c(C(=O)N2CCC[C@@]3(CC[N@H+](C)C3)C2)c1[N+](=O)[O-] ZINC000597715581 357299845 /nfs/dbraw/zinc/29/98/45/357299845.db2.gz MWIAPFIQEOAUNU-HNNXBMFYSA-N 1 0 321.381 1.438 20 5 DDBDRO CCN(C(=O)CCn1cc([N+](=O)[O-])nc1C)[C@@H]1CC[N@H+](C)C1 ZINC000597945058 357393511 /nfs/dbraw/zinc/39/35/11/357393511.db2.gz HHVSOADOLBTNJP-GFCCVEGCSA-N 1 0 309.370 1.042 20 5 DDBDRO CCC[N@@H+]1CC[C@@H](NC(=O)c2cc(OC)ccc2[N+](=O)[O-])C1 ZINC000598342276 357545686 /nfs/dbraw/zinc/54/56/86/357545686.db2.gz LMGHEJPVDZDDOA-LLVKDONJSA-N 1 0 307.350 1.818 20 5 DDBDRO COC(=O)c1ccnc(NCC(C)(C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000598584776 357640434 /nfs/dbraw/zinc/64/04/34/357640434.db2.gz VOKUIPQIJUGTSP-UHFFFAOYSA-N 1 0 310.354 1.776 20 5 DDBDRO CCN1CCN(c2nccc(C(=O)OC)c2[N+](=O)[O-])C[C@@H]1C ZINC000598605325 357650871 /nfs/dbraw/zinc/65/08/71/357650871.db2.gz AZYWEIQJZGTFTA-JTQLQIEISA-N 1 0 308.338 1.307 20 5 DDBDRO COC(=O)c1ccnc(N(C)CC[N@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000598617200 357655752 /nfs/dbraw/zinc/65/57/52/357655752.db2.gz ICFVZEHWQAKGRN-UHFFFAOYSA-N 1 0 308.338 1.307 20 5 DDBDRO CCOC(=O)c1ccnc(NCC2([NH2+]C)CCC2)c1[N+](=O)[O-] ZINC000598634159 357663712 /nfs/dbraw/zinc/66/37/12/357663712.db2.gz REZSVIJCBJBSCO-UHFFFAOYSA-N 1 0 308.338 1.721 20 5 DDBDRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C1 ZINC000598745585 357713117 /nfs/dbraw/zinc/71/31/17/357713117.db2.gz KQYVDRHULMIESV-SNVBAGLBSA-N 1 0 322.365 1.546 20 5 DDBDRO NC(=O)[C@H]1C[C@H]([NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000599071455 357807652 /nfs/dbraw/zinc/80/76/52/357807652.db2.gz VOIGFRWNSKYNMR-BJDJZHNGSA-N 1 0 307.354 1.129 20 5 DDBDRO C[C@@H]1CN(c2ccc3cnccc3c2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000599071089 357807704 /nfs/dbraw/zinc/80/77/04/357807704.db2.gz PQPDHPIGUKWLIM-GFCCVEGCSA-N 1 0 316.361 1.646 20 5 DDBDRO Cc1cc(N2CC(C[NH+]3CCN(C)CC3)C2)ccc1[N+](=O)[O-] ZINC000599109948 357818314 /nfs/dbraw/zinc/81/83/14/357818314.db2.gz ZAEXSPGMETYRNX-UHFFFAOYSA-N 1 0 304.394 1.587 20 5 DDBDRO Cc1cc(NC[C@H]2COCCN2C)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000599159402 357832332 /nfs/dbraw/zinc/83/23/32/357832332.db2.gz BKNZIBLRBVFVCR-ZDUSSCGKSA-N 1 0 316.361 1.616 20 5 DDBDRO COC(=O)c1cnc(NCC2([NH+](C)C)CCC2)c([N+](=O)[O-])c1 ZINC000276708517 213058237 /nfs/dbraw/zinc/05/82/37/213058237.db2.gz JCFMOZOXTJIUAJ-UHFFFAOYSA-N 1 0 308.338 1.673 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000599907062 358078212 /nfs/dbraw/zinc/07/82/12/358078212.db2.gz KFETYWIOPJWYTK-CMPLNLGQSA-N 1 0 322.365 1.543 20 5 DDBDRO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)NCc1cccc([N+](=O)[O-])c1)C2 ZINC000599910008 358078675 /nfs/dbraw/zinc/07/86/75/358078675.db2.gz JKOFQVFYKFCKNG-IYBDPMFKSA-N 1 0 318.377 1.736 20 5 DDBDRO C[C@@H]1CC[C@@H](NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])C[NH2+]1 ZINC000599936866 358085465 /nfs/dbraw/zinc/08/54/65/358085465.db2.gz CKSBIZBSFIMKJF-DGCLKSJQSA-N 1 0 306.366 1.877 20 5 DDBDRO CCN(C(=O)c1cc([N+](=O)[O-])cnc1C)C1CC[NH+](C)CC1 ZINC000599985224 358096701 /nfs/dbraw/zinc/09/67/01/358096701.db2.gz AESTZOWJUYQKIL-UHFFFAOYSA-N 1 0 306.366 1.855 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000600473146 358234816 /nfs/dbraw/zinc/23/48/16/358234816.db2.gz RXWLVDIBCCQWHH-LBPRGKRZSA-N 1 0 306.366 1.680 20 5 DDBDRO COc1ccc(OCCN2CC[NH2+]C[C@@H]2C(C)C)c([N+](=O)[O-])c1 ZINC000600714068 358292038 /nfs/dbraw/zinc/29/20/38/358292038.db2.gz OTNXVJWNTUTSKA-OAHLLOKOSA-N 1 0 323.393 1.912 20 5 DDBDRO CC(C)(C(=O)NCC[N@@H+]1CC[C@H](O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000600808837 358320906 /nfs/dbraw/zinc/32/09/06/358320906.db2.gz SQXBMYOMFBZDNF-AWEZNQCLSA-N 1 0 321.377 1.055 20 5 DDBDRO Cn1nc2c(c1C[NH2+]CCn1cc([N+](=O)[O-])cn1)CCCC2 ZINC000601111638 358406431 /nfs/dbraw/zinc/40/64/31/358406431.db2.gz VKDPSNNVRLFJFZ-UHFFFAOYSA-N 1 0 304.354 1.193 20 5 DDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CCC[C@](O)(C[NH+](C)C)C1 ZINC000601189981 358440003 /nfs/dbraw/zinc/44/00/03/358440003.db2.gz YLFCLYHPUZUIQZ-AWEZNQCLSA-N 1 0 311.386 1.013 20 5 DDBDRO CC1([NH+]2CCCC2)CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000601737952 358672327 /nfs/dbraw/zinc/67/23/27/358672327.db2.gz GSFKEBGYRYXXQC-UHFFFAOYSA-N 1 0 321.381 1.268 20 5 DDBDRO CN(C(=O)C[N@@H+]1C[C@@H]2COC[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000601974149 358760941 /nfs/dbraw/zinc/76/09/41/358760941.db2.gz PLKVITFSEFZYES-TXEJJXNPSA-N 1 0 305.334 1.136 20 5 DDBDRO CNc1ccc(C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cc1[N+](=O)[O-] ZINC000601973927 358761174 /nfs/dbraw/zinc/76/11/74/358761174.db2.gz FBMYVLZVTBSXSR-IYBDPMFKSA-N 1 0 318.377 1.708 20 5 DDBDRO COc1cc(C(=O)N[C@H]2C[C@@H]([NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000602168184 358859751 /nfs/dbraw/zinc/85/97/51/358859751.db2.gz VXESCPUFFKFPEQ-BETUJISGSA-N 1 0 319.361 1.960 20 5 DDBDRO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000348169603 283400234 /nfs/dbraw/zinc/40/02/34/283400234.db2.gz RZJGTOWDHNGONG-KBPBESRZSA-N 1 0 307.350 1.478 20 5 DDBDRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000602571776 359049620 /nfs/dbraw/zinc/04/96/20/359049620.db2.gz NWHPRCMYGVDXQS-JOYOIKCWSA-N 1 0 304.350 1.649 20 5 DDBDRO CCN(CC[NH3+])C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000602539306 359034156 /nfs/dbraw/zinc/03/41/56/359034156.db2.gz JCNVXQFRHIGZLZ-UHFFFAOYSA-N 1 0 306.366 1.616 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CC3(O)CCC3)CC2)cn1 ZINC000602551073 359040413 /nfs/dbraw/zinc/04/04/13/359040413.db2.gz LMODIHONEYGSTD-UHFFFAOYSA-N 1 0 306.366 1.463 20 5 DDBDRO CC(C)[C@H](CCO)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602552970 359042670 /nfs/dbraw/zinc/04/26/70/359042670.db2.gz BJDZXICCBFFOCL-HNNXBMFYSA-N 1 0 322.409 1.955 20 5 DDBDRO CC(C)[N@H+](C)CC1CCN(Cc2cn(C)nc2[N+](=O)[O-])CC1 ZINC000602446783 358982330 /nfs/dbraw/zinc/98/23/30/358982330.db2.gz AVBGTKYOCCSVBW-UHFFFAOYSA-N 1 0 309.414 1.881 20 5 DDBDRO CC[NH2+][C@H](C)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000602476968 359003585 /nfs/dbraw/zinc/00/35/85/359003585.db2.gz YNELJUABESACAR-GFCCVEGCSA-N 1 0 306.366 1.241 20 5 DDBDRO C[C@H](CC[NH3+])NC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000602487307 359011442 /nfs/dbraw/zinc/01/14/42/359011442.db2.gz WTNVTCMYCGZYBB-SSDOTTSWSA-N 1 0 316.155 1.824 20 5 DDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)cc1OC ZINC000602598082 359063114 /nfs/dbraw/zinc/06/31/14/359063114.db2.gz AVSZORHJUHICIR-UWVGGRQHSA-N 1 0 321.333 1.188 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000602765326 359175410 /nfs/dbraw/zinc/17/54/10/359175410.db2.gz JBKGZCRRCZZNQT-CQSZACIVSA-N 1 0 307.398 1.660 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H]1Cc2cccc(O)c2C1 ZINC000602824230 359218674 /nfs/dbraw/zinc/21/86/74/359218674.db2.gz YLEVJCLOUFIMTH-GFCCVEGCSA-N 1 0 302.334 1.562 20 5 DDBDRO CO[C@H]1C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)[C@](C)(CO)C1 ZINC000602964440 359327841 /nfs/dbraw/zinc/32/78/41/359327841.db2.gz PNLVSYXNQSMROH-CVEARBPZSA-N 1 0 324.377 1.835 20 5 DDBDRO O=[N+]([O-])c1cc(F)ccc1Cn1cc([C@H]2CCC[NH2+]C2)nn1 ZINC000603224300 359496175 /nfs/dbraw/zinc/49/61/75/359496175.db2.gz OSFGMUWJWQAGDC-JTQLQIEISA-N 1 0 305.313 1.841 20 5 DDBDRO COc1ccc(OCC[N@@H+]2CC[C@H](O)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000186787290 200010032 /nfs/dbraw/zinc/01/00/32/200010032.db2.gz RYCHDWKQRXKZHQ-FZMZJTMJSA-N 1 0 310.350 1.685 20 5 DDBDRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000186766392 200006109 /nfs/dbraw/zinc/00/61/09/200006109.db2.gz HFBXFUUYFWPKBJ-UFBFGSQYSA-N 1 0 303.322 1.199 20 5 DDBDRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000186931632 200033238 /nfs/dbraw/zinc/03/32/38/200033238.db2.gz HUDQTVUXGWQZQH-GFCCVEGCSA-N 1 0 321.377 1.512 20 5 DDBDRO O=C(NCC[N@@H+]1CCCOCC1)NCc1ccc([N+](=O)[O-])cc1 ZINC000186987036 200043689 /nfs/dbraw/zinc/04/36/89/200043689.db2.gz QZZFPZDLQJQLPO-UHFFFAOYSA-N 1 0 322.365 1.116 20 5 DDBDRO COCC[C@H](CO)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000603435198 359638539 /nfs/dbraw/zinc/63/85/39/359638539.db2.gz SPEIAZOGPJZKOE-SNVBAGLBSA-N 1 0 320.292 1.683 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000188075719 200189434 /nfs/dbraw/zinc/18/94/34/200189434.db2.gz LDIUSBXUJYGZES-UHFFFAOYSA-N 1 0 309.370 1.042 20 5 DDBDRO CNC(=O)c1ccc(N2CC[NH+](C3CCC3)CC2)c([N+](=O)[O-])c1 ZINC000264940617 283477162 /nfs/dbraw/zinc/47/71/62/283477162.db2.gz IFZWCKSVMJMLTK-UHFFFAOYSA-N 1 0 318.377 1.629 20 5 DDBDRO CCN(CCC[NH+]1CCCC1)C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000188109282 200194855 /nfs/dbraw/zinc/19/48/55/200194855.db2.gz YOPKRIGYTFWCJC-UHFFFAOYSA-N 1 0 322.365 1.643 20 5 DDBDRO [NH3+]C1(CNC(=O)COc2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000237827548 202364404 /nfs/dbraw/zinc/36/44/04/202364404.db2.gz IEMOXJVPHSBBJF-UHFFFAOYSA-N 1 0 307.350 1.751 20 5 DDBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](C)C(=O)N(C)C ZINC000189005121 200334529 /nfs/dbraw/zinc/33/45/29/200334529.db2.gz MXMUNAPCPSCMLY-MNOVXSKESA-N 1 0 322.365 1.378 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCC([C@@H]2CCCO2)CC1 ZINC000189113310 200351230 /nfs/dbraw/zinc/35/12/30/200351230.db2.gz BUAJUJSNMSBYAL-HNNXBMFYSA-N 1 0 321.377 1.648 20 5 DDBDRO CO[C@H]1C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[C@H]1C ZINC000189330477 200383029 /nfs/dbraw/zinc/38/30/29/200383029.db2.gz FWNVTPSLKZWTNH-YGRLFVJLSA-N 1 0 307.350 1.551 20 5 DDBDRO COc1ccc(CC(=O)NCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000609045839 360258127 /nfs/dbraw/zinc/25/81/27/360258127.db2.gz RFAUOOZBUUTVFN-UHFFFAOYSA-N 1 0 307.350 1.358 20 5 DDBDRO C[N@@H+]1CCC[C@@H](N2CCN(Cc3csc([N+](=O)[O-])c3)CC2)C1 ZINC000609672353 360342886 /nfs/dbraw/zinc/34/28/86/360342886.db2.gz BFBVSPAOFBYEFH-CQSZACIVSA-N 1 0 324.450 1.868 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H]2CCc3c2cccc3F)c1 ZINC000610336030 360415964 /nfs/dbraw/zinc/41/59/64/360415964.db2.gz FKYKRWUVFMQUSO-XHDPSFHLSA-N 1 0 320.324 1.568 20 5 DDBDRO COC[C@@H]1CCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000610605353 360480873 /nfs/dbraw/zinc/48/08/73/360480873.db2.gz ZMHUPJLJGJBCGV-KBPBESRZSA-N 1 0 310.350 1.445 20 5 DDBDRO CNc1ccc(C(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000565832691 304096064 /nfs/dbraw/zinc/09/60/64/304096064.db2.gz PXHFONOCBXFECY-ZYHUDNBSSA-N 1 0 306.366 1.754 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000611234727 360671162 /nfs/dbraw/zinc/67/11/62/360671162.db2.gz NZOKIHOYOYQBBC-NSHDSACASA-N 1 0 307.354 1.029 20 5 DDBDRO CC(C)[NH2+]C1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000611240517 360675755 /nfs/dbraw/zinc/67/57/55/360675755.db2.gz AUIBTFWQCAJREL-UHFFFAOYSA-N 1 0 304.354 1.604 20 5 DDBDRO CC[N@H+](C)C[C@H]1CCN(c2cc(N)c([N+](=O)[O-])c(CO)c2)C1 ZINC000611525983 360747735 /nfs/dbraw/zinc/74/77/35/360747735.db2.gz WQLDQAXWSHYPJC-LLVKDONJSA-N 1 0 308.382 1.447 20 5 DDBDRO C[C@@H](O)[C@H]1CCC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611564060 360761254 /nfs/dbraw/zinc/76/12/54/360761254.db2.gz VAXGEIWCBLSGSI-NEPJUHHUSA-N 1 0 322.361 1.959 20 5 DDBDRO CC[C@H]1C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CCCO1 ZINC000281291872 216215563 /nfs/dbraw/zinc/21/55/63/216215563.db2.gz GXTOBPPXXVPZPQ-KBPBESRZSA-N 1 0 324.377 1.835 20 5 DDBDRO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000193520747 201068349 /nfs/dbraw/zinc/06/83/49/201068349.db2.gz NTNYDXYXDWLEKP-MFKMUULPSA-N 1 0 306.366 1.531 20 5 DDBDRO CN1C(=O)NC2(CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)C1=O ZINC000090005280 192918681 /nfs/dbraw/zinc/91/86/81/192918681.db2.gz BUEJXXWEFUCHAG-UHFFFAOYSA-N 1 0 318.333 1.111 20 5 DDBDRO O=C(CCn1cc([N+](=O)[O-])cn1)NC1CC[NH+](CC2CC2)CC1 ZINC000194351704 201207771 /nfs/dbraw/zinc/20/77/71/201207771.db2.gz TXYSUWXTLMYMKU-UHFFFAOYSA-N 1 0 321.381 1.172 20 5 DDBDRO Cc1c(C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000195260476 201367228 /nfs/dbraw/zinc/36/72/28/201367228.db2.gz OVFINOSCVRHCGB-AOOOYVTPSA-N 1 0 320.305 1.103 20 5 DDBDRO C[C@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1cn[nH]c1 ZINC000275235284 212215276 /nfs/dbraw/zinc/21/52/76/212215276.db2.gz WHNMAUFCWQRJDO-JTQLQIEISA-N 1 0 315.333 1.558 20 5 DDBDRO CCOc1cc(C(=O)N[C@@H](C)CC[NH3+])c([N+](=O)[O-])cc1OC ZINC000349933944 284109882 /nfs/dbraw/zinc/10/98/82/284109882.db2.gz GHVFWYIFWXEOTQ-VIFPVBQESA-N 1 0 311.338 1.469 20 5 DDBDRO Cc1cc(C(=O)N2CCC3(CC[NH2+]C3)CC2)c(N)c([N+](=O)[O-])c1 ZINC000261832590 203129485 /nfs/dbraw/zinc/12/94/85/203129485.db2.gz OWSQUIJJMLQVRN-UHFFFAOYSA-N 1 0 318.377 1.701 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000261878312 203142699 /nfs/dbraw/zinc/14/26/99/203142699.db2.gz TVLZBJIDJSOEOP-PWSUYJOCSA-N 1 0 309.370 1.076 20 5 DDBDRO Cc1ccc([C@@H](C)NC(=O)[C@@H]([NH3+])C2CCOCC2)cc1[N+](=O)[O-] ZINC000261884878 203143620 /nfs/dbraw/zinc/14/36/20/203143620.db2.gz UZGSTQGRRLGZJX-ABAIWWIYSA-N 1 0 321.377 1.834 20 5 DDBDRO COc1cc(C(=O)N[C@H]2CCC[NH2+]C2)cc([N+](=O)[O-])c1OC ZINC000261930067 203154977 /nfs/dbraw/zinc/15/49/77/203154977.db2.gz CLKUJXQHIHBBKX-JTQLQIEISA-N 1 0 309.322 1.094 20 5 DDBDRO C[C@@H](c1cccnc1)[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000093228078 193219325 /nfs/dbraw/zinc/21/93/25/193219325.db2.gz DOUOGPNHURWRFK-LBPRGKRZSA-N 1 0 302.334 1.845 20 5 DDBDRO Nc1c(C(=O)N[C@@H](C[NH3+])C2CCCCC2)cc(F)cc1[N+](=O)[O-] ZINC000262613012 203350586 /nfs/dbraw/zinc/35/05/86/203350586.db2.gz YMFXHQCGQXOOCD-LBPRGKRZSA-N 1 0 324.356 1.954 20 5 DDBDRO Cc1c(C[NH2+]CC(C)(C)S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000093519842 193262727 /nfs/dbraw/zinc/26/27/27/193262727.db2.gz KVOMASLPUFLJBZ-UHFFFAOYSA-N 1 0 300.380 1.816 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]Cc2cc(F)cc(F)c2)c1 ZINC000579460256 422773119 /nfs/dbraw/zinc/77/31/19/422773119.db2.gz NAKHRPMSLZQMAG-CYBMUJFWSA-N 1 0 312.276 1.220 20 5 DDBDRO C[C@H](CNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)[NH+](C)C ZINC000264694966 204083168 /nfs/dbraw/zinc/08/31/68/204083168.db2.gz AWIOSWCOJININR-SECBINFHSA-N 1 0 318.333 1.529 20 5 DDBDRO CC[NH+](CC)[C@@H]1CCN(c2nc(C(=O)OC)ccc2[N+](=O)[O-])C1 ZINC000288211493 220021017 /nfs/dbraw/zinc/02/10/17/220021017.db2.gz DELDTCCQFOZCNH-LLVKDONJSA-N 1 0 322.365 1.697 20 5 DDBDRO Cc1n[nH]c(C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000266081594 205081905 /nfs/dbraw/zinc/08/19/05/205081905.db2.gz DOFNDYPQOKPLRG-NSHDSACASA-N 1 0 309.370 1.573 20 5 DDBDRO Cc1cnc(N(C)CC2CC[NH+](C[C@@H](C)O)CC2)c([N+](=O)[O-])c1 ZINC000266177819 205162499 /nfs/dbraw/zinc/16/24/99/205162499.db2.gz BHUGOQKDYBKTIJ-CYBMUJFWSA-N 1 0 322.409 1.827 20 5 DDBDRO CC[N@H+](C)C[C@@H]1CCN(c2ccc([N+](=O)[O-])c3nonc32)C1 ZINC000266192878 205172310 /nfs/dbraw/zinc/17/23/10/205172310.db2.gz GZAMJZPOFFJMAH-JTQLQIEISA-N 1 0 305.338 1.909 20 5 DDBDRO Cc1ccc(C[N@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000266480786 205377296 /nfs/dbraw/zinc/37/72/96/205377296.db2.gz SWXUSVXOTYHJJO-OAHLLOKOSA-N 1 0 304.350 1.593 20 5 DDBDRO Cc1ccc(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000160229098 197394073 /nfs/dbraw/zinc/39/40/73/197394073.db2.gz CXIHHJCKSRCILD-CQSZACIVSA-N 1 0 321.377 1.480 20 5 DDBDRO Cc1c(CNC(=O)NC[C@](C)(O)C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000359530805 299470216 /nfs/dbraw/zinc/47/02/16/299470216.db2.gz JHLVAVGGIMXJFT-HNNXBMFYSA-N 1 0 324.381 1.015 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000121056778 248265744 /nfs/dbraw/zinc/26/57/44/248265744.db2.gz CYWCVXRBMAGIBZ-AAEUAGOBSA-N 1 0 323.397 1.288 20 5 DDBDRO [NH3+]C[C@H]1CN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000313372746 248841301 /nfs/dbraw/zinc/84/13/01/248841301.db2.gz INOUMJHRWYDPLS-ZBKLQPJUSA-N 1 0 305.334 1.184 20 5 DDBDRO C[NH2+]C[C@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000040597126 183107486 /nfs/dbraw/zinc/10/74/86/183107486.db2.gz CYFFKUHDVJUPCY-LLVKDONJSA-N 1 0 313.379 1.215 20 5 DDBDRO C[N@@H+]1CC[C@H]2OCCN(CCOc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000284481182 218044712 /nfs/dbraw/zinc/04/47/12/218044712.db2.gz AWCVUDAWKDAUMK-GOEBONIOSA-N 1 0 321.377 1.379 20 5 DDBDRO CO[C@H]1C[C@@H](CN(C)C(=O)c2cccc([N+](=O)[O-])c2C)[N@H+](C)C1 ZINC000284551299 218075051 /nfs/dbraw/zinc/07/50/51/218075051.db2.gz GRQUULVHGIMYDP-STQMWFEESA-N 1 0 321.377 1.694 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CN1CCO[C@H]2CC[N@H+](C)C[C@H]21 ZINC000284923291 218235854 /nfs/dbraw/zinc/23/58/54/218235854.db2.gz UDBBXQCDVTWMIZ-ZBFHGGJFSA-N 1 0 321.377 1.508 20 5 DDBDRO COc1cc(C(=O)NC[C@@H]2CC[N@H+](C)C2)c([N+](=O)[O-])cc1OC ZINC000109992242 194303522 /nfs/dbraw/zinc/30/35/22/194303522.db2.gz YGICHSORFYNEOZ-JTQLQIEISA-N 1 0 323.349 1.294 20 5 DDBDRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000340992612 251322997 /nfs/dbraw/zinc/32/29/97/251322997.db2.gz NIMCABNANJMBNF-VIFPVBQESA-N 1 0 315.333 1.438 20 5 DDBDRO C[C@@H](NC(=O)CCNc1ccccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000269237643 207366040 /nfs/dbraw/zinc/36/60/40/207366040.db2.gz XAKBCZUFXWJIRO-CHWSQXEVSA-N 1 0 320.393 1.901 20 5 DDBDRO Cc1c(C(=O)NC[C@H]([NH3+])C(C)C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000269274714 207418734 /nfs/dbraw/zinc/41/87/34/207418734.db2.gz OAIMOLQFMGWJJE-NSHDSACASA-N 1 0 324.337 1.833 20 5 DDBDRO O=c1c(Br)cn(CC2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000567808228 304244153 /nfs/dbraw/zinc/24/41/53/304244153.db2.gz JSECJAABSMSQPC-UHFFFAOYSA-N 1 0 316.155 1.519 20 5 DDBDRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000286510306 219028414 /nfs/dbraw/zinc/02/84/14/219028414.db2.gz MUPSXNNOVVJIHE-BBKQSLKASA-N 1 0 318.373 1.983 20 5 DDBDRO COc1cc(NC[C@@H]2C[N@H+](C)CCN2C)c(F)cc1[N+](=O)[O-] ZINC000271100397 208623436 /nfs/dbraw/zinc/62/34/36/208623436.db2.gz PCBGEUMKXIJAAD-SNVBAGLBSA-N 1 0 312.345 1.400 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H]1COCC1(C)C ZINC000451814769 533138872 /nfs/dbraw/zinc/13/88/72/533138872.db2.gz XSYNNXIFHGEBIR-ZDUSSCGKSA-N 1 0 323.349 1.557 20 5 DDBDRO C[C@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC000154876538 197001113 /nfs/dbraw/zinc/00/11/13/197001113.db2.gz NZVJARWHISDWFN-LLVKDONJSA-N 1 0 317.349 1.568 20 5 DDBDRO C[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CCC[C@H]1O ZINC000352696689 285235007 /nfs/dbraw/zinc/23/50/07/285235007.db2.gz JZUVJRYQXCGMNN-AEGPPILISA-N 1 0 310.350 1.180 20 5 DDBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CCCn1cc(CO)nn1 ZINC000289990047 221364737 /nfs/dbraw/zinc/36/47/37/221364737.db2.gz XNDYTAJCPCCGPH-ZZXKWVIFSA-N 1 0 317.349 1.372 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000414662653 533225832 /nfs/dbraw/zinc/22/58/32/533225832.db2.gz ZLWPSSNMCDJCBP-UWVGGRQHSA-N 1 0 308.338 1.818 20 5 DDBDRO COc1ccc(NC(=O)NCCC[NH2+]C2CC2)cc1[N+](=O)[O-] ZINC000415429670 224580710 /nfs/dbraw/zinc/58/07/10/224580710.db2.gz BIHWKWJCLMLXMR-UHFFFAOYSA-N 1 0 308.338 1.867 20 5 DDBDRO COC(=O)CN(C)C(=O)CC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000451104053 533475159 /nfs/dbraw/zinc/47/51/59/533475159.db2.gz JLKZVYGWEMXLBY-NSHDSACASA-N 1 0 323.349 1.267 20 5 DDBDRO Cc1cc(S(=O)(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000156165426 291978384 /nfs/dbraw/zinc/97/83/84/291978384.db2.gz HYHVFASJZKBJSS-MNOVXSKESA-N 1 0 313.379 1.274 20 5 DDBDRO COCC[NH2+]CC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000568868892 304317579 /nfs/dbraw/zinc/31/75/79/304317579.db2.gz AKOMWFXOCLKYDF-UHFFFAOYSA-N 1 0 307.350 1.322 20 5 DDBDRO Cc1ccc(NC(=O)C(=O)NCCC[NH2+]C(C)C)cc1[N+](=O)[O-] ZINC000568972521 304325551 /nfs/dbraw/zinc/32/55/51/304325551.db2.gz ZLUNQNVPTXZLGI-UHFFFAOYSA-N 1 0 322.365 1.346 20 5 DDBDRO CS[C@H](C)C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000569450213 304354527 /nfs/dbraw/zinc/35/45/27/304354527.db2.gz WWKUFQOYDJJXCM-MNOVXSKESA-N 1 0 300.380 1.676 20 5 DDBDRO C[C@@H](Cc1cccc(O)c1)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000570081526 304394584 /nfs/dbraw/zinc/39/45/84/304394584.db2.gz CUQCHTWOSNIWOY-NHYWBVRUSA-N 1 0 320.349 1.079 20 5 DDBDRO CC(C)C[C@@H](CNC(=O)CCn1cc([N+](=O)[O-])cn1)[NH+](C)C ZINC000114377443 407567826 /nfs/dbraw/zinc/56/78/26/407567826.db2.gz JPVBHDDQFBCMKZ-LBPRGKRZSA-N 1 0 311.386 1.274 20 5 DDBDRO CC[N@H+](CCNC(=O)CNc1ccccc1[N+](=O)[O-])C1CC1 ZINC000078454177 407028222 /nfs/dbraw/zinc/02/82/22/407028222.db2.gz QRLKNLUOXOMXAH-UHFFFAOYSA-N 1 0 306.366 1.607 20 5 DDBDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000055758717 407207241 /nfs/dbraw/zinc/20/72/41/407207241.db2.gz OZNOBUJGUHRTRN-FRRDWIJNSA-N 1 0 323.397 1.274 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000065901252 407246399 /nfs/dbraw/zinc/24/63/99/407246399.db2.gz JCRTZMGEMLKNSG-LBPRGKRZSA-N 1 0 323.397 1.336 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000066041619 407246969 /nfs/dbraw/zinc/24/69/69/407246969.db2.gz METDRTKXNKOCEP-UHFFFAOYSA-N 1 0 323.397 1.480 20 5 DDBDRO O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1CCC(n2ccnc2)CC1 ZINC000101950868 407318129 /nfs/dbraw/zinc/31/81/29/407318129.db2.gz RLKIGBFXSFWZPB-UHFFFAOYSA-N 1 0 317.305 1.369 20 5 DDBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000067298486 407270311 /nfs/dbraw/zinc/27/03/11/407270311.db2.gz QHBPDEFNJHUYKR-LLVKDONJSA-N 1 0 307.350 1.818 20 5 DDBDRO COc1ccc(C(=O)N(C)CC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000103120027 407331757 /nfs/dbraw/zinc/33/17/57/407331757.db2.gz GAWCJMGWSRVOIC-UHFFFAOYSA-N 1 0 307.350 1.771 20 5 DDBDRO CC1CC[NH+](CC(=O)NCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000096954611 407275459 /nfs/dbraw/zinc/27/54/59/407275459.db2.gz UKFJDHXZMVSEQF-UHFFFAOYSA-N 1 0 320.393 1.855 20 5 DDBDRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000124627373 407364449 /nfs/dbraw/zinc/36/44/49/407364449.db2.gz SKHYEUGYGRHBQM-LLVKDONJSA-N 1 0 307.354 1.986 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@@H]1CCOC1 ZINC000106883018 407365177 /nfs/dbraw/zinc/36/51/77/407365177.db2.gz JIUKTYOCSZXPSV-GFCCVEGCSA-N 1 0 323.349 1.653 20 5 DDBDRO Cc1nn(C)c(C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000127226485 407431046 /nfs/dbraw/zinc/43/10/46/407431046.db2.gz FJFGNUCSJKHQTG-GFCCVEGCSA-N 1 0 321.381 1.195 20 5 DDBDRO CNC(=O)CC[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000170793070 407509140 /nfs/dbraw/zinc/50/91/40/407509140.db2.gz UXLJIGREBAEZBB-UHFFFAOYSA-N 1 0 322.365 1.300 20 5 DDBDRO COC(=O)C(C)(C)C[NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000151800420 407501881 /nfs/dbraw/zinc/50/18/81/407501881.db2.gz QGISABLISUDQQX-JTQLQIEISA-N 1 0 323.349 1.711 20 5 DDBDRO C[C@@H](NC(=O)C[NH2+]C[C@@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000151460870 407440913 /nfs/dbraw/zinc/44/09/13/407440913.db2.gz ZGGMPMNXDCDSEH-RISCZKNCSA-N 1 0 307.350 1.541 20 5 DDBDRO COC(=O)c1cc(NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])cc([N+](=O)[O-])c1 ZINC000261615032 407555080 /nfs/dbraw/zinc/55/50/80/407555080.db2.gz ADFZUVUSGIYMCF-NOZJJQNGSA-N 1 0 321.333 1.695 20 5 DDBDRO COc1ccc(C(=O)N2CC[C@@H](C[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000114148555 407543973 /nfs/dbraw/zinc/54/39/73/407543973.db2.gz VJIRORHJSSTTGK-NSHDSACASA-N 1 0 307.350 1.627 20 5 DDBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000266693382 407602147 /nfs/dbraw/zinc/60/21/47/407602147.db2.gz FIZNFKSRMGEBJX-CYBMUJFWSA-N 1 0 306.366 1.531 20 5 DDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000227066242 407625837 /nfs/dbraw/zinc/62/58/37/407625837.db2.gz YSSVQKKGFVRQNO-GXSJLCMTSA-N 1 0 313.379 1.261 20 5 DDBDRO C[C@H]([NH3+])[C@H]1CCCCN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000261839196 407635286 /nfs/dbraw/zinc/63/52/86/407635286.db2.gz CGMAMNYQJUCCQN-WCQYABFASA-N 1 0 306.366 1.735 20 5 DDBDRO Nc1c(C(=O)NCC[C@H]2CCC[NH2+]C2)cc(F)cc1[N+](=O)[O-] ZINC000152727133 407678045 /nfs/dbraw/zinc/67/80/45/407678045.db2.gz VEXQNRJDYWKTPN-SECBINFHSA-N 1 0 310.329 1.436 20 5 DDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000171450747 407689235 /nfs/dbraw/zinc/68/92/35/407689235.db2.gz HZXDZRJKTJKLAE-OAHLLOKOSA-N 1 0 303.362 1.834 20 5 DDBDRO O=[N+]([O-])c1cnn(CCN2CCN(Cc3ccco3)CC2)c1 ZINC000266898454 407664876 /nfs/dbraw/zinc/66/48/76/407664876.db2.gz HKZBSILQCIBEAL-UHFFFAOYSA-N 1 0 305.338 1.202 20 5 DDBDRO O=C(NCC[N@@H+]1CCCOCC1)NCc1cccc([N+](=O)[O-])c1 ZINC000187049736 407814759 /nfs/dbraw/zinc/81/47/59/407814759.db2.gz IIPCIYQCONGYSB-UHFFFAOYSA-N 1 0 322.365 1.116 20 5 DDBDRO C[C@H]1CCCN(C(=O)CNc2ccccc2[N+](=O)[O-])[C@H]1C[NH3+] ZINC000237695802 407833923 /nfs/dbraw/zinc/83/39/23/407833923.db2.gz PMSRMDXEKXSURK-FZMZJTMJSA-N 1 0 306.366 1.593 20 5 DDBDRO CC[NH+]1CCC(N(C)C(=O)CCn2cc([N+](=O)[O-])nc2C)CC1 ZINC000133361671 407834034 /nfs/dbraw/zinc/83/40/34/407834034.db2.gz ZTRVRWNJRHWQPC-UHFFFAOYSA-N 1 0 323.397 1.433 20 5 DDBDRO C[C@H]1CCCN(C(=O)COc2cccc([N+](=O)[O-])c2)[C@H]1C[NH3+] ZINC000237697746 407836045 /nfs/dbraw/zinc/83/60/45/407836045.db2.gz DUEFTCHTZGMPKD-FZMZJTMJSA-N 1 0 307.350 1.559 20 5 DDBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCCC[NH2+]1 ZINC000238029949 407873225 /nfs/dbraw/zinc/87/32/25/407873225.db2.gz UMTVETDCZDHXKP-NSHDSACASA-N 1 0 309.391 1.945 20 5 DDBDRO O=C(C[C@@H]1CSCC[NH2+]1)NCCNc1ccccc1[N+](=O)[O-] ZINC000238053939 407877841 /nfs/dbraw/zinc/87/78/41/407877841.db2.gz ZTXZDEPBQPXIJI-LLVKDONJSA-N 1 0 324.406 1.218 20 5 DDBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000118117447 407896390 /nfs/dbraw/zinc/89/63/90/407896390.db2.gz AVPVIQNYVQZLFN-LLVKDONJSA-N 1 0 322.365 1.380 20 5 DDBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NCC[NH2+]C1CC1 ZINC000237851812 407848957 /nfs/dbraw/zinc/84/89/57/407848957.db2.gz BRDMBEBWUZWGSQ-UHFFFAOYSA-N 1 0 319.770 1.279 20 5 DDBDRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000262828837 407949653 /nfs/dbraw/zinc/94/96/53/407949653.db2.gz QDVWBISELMXKAM-NWDGAFQWSA-N 1 0 306.366 1.511 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC(C)(C)C[NH3+])c1C ZINC000262782341 407927991 /nfs/dbraw/zinc/92/79/91/407927991.db2.gz ZSQLQHHWFAVUQH-UHFFFAOYSA-N 1 0 301.368 1.227 20 5 DDBDRO CCCCC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)CC(N)=O ZINC000272485264 407943993 /nfs/dbraw/zinc/94/39/93/407943993.db2.gz BMAGWZCNBXPTQD-UHFFFAOYSA-N 1 0 309.366 1.951 20 5 DDBDRO C[NH+]1CCC(C)(CNc2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000272578344 407990952 /nfs/dbraw/zinc/99/09/52/407990952.db2.gz XSKKNZAYYFDJTN-UHFFFAOYSA-N 1 0 307.354 1.233 20 5 DDBDRO C[N@H+](CCC1CC1)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000135299298 408000705 /nfs/dbraw/zinc/00/07/05/408000705.db2.gz WVBNACWHRCOBKT-UHFFFAOYSA-N 1 0 321.333 1.994 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@@H](CO)c2ccc(Cl)cc2)n1 ZINC000273144688 408080310 /nfs/dbraw/zinc/08/03/10/408080310.db2.gz VKJHZYPSIFYCBC-LBPRGKRZSA-N 1 0 310.741 1.768 20 5 DDBDRO NC(=O)C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000181937517 408055103 /nfs/dbraw/zinc/05/51/03/408055103.db2.gz ATHILCWHKLJNMT-OAHLLOKOSA-N 1 0 321.377 1.398 20 5 DDBDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C1 ZINC000175445426 408132341 /nfs/dbraw/zinc/13/23/41/408132341.db2.gz AVWNNQCYBRYRHT-UWVGGRQHSA-N 1 0 308.338 1.298 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NCC[NH+](C)C)c1 ZINC000182514323 408184495 /nfs/dbraw/zinc/18/44/95/408184495.db2.gz MUHLHPIFGYTAAN-UHFFFAOYSA-N 1 0 321.786 1.397 20 5 DDBDRO O=[N+]([O-])c1cnc(NCC2([NH+]3CCCC3)CCOCC2)nc1 ZINC000273555015 408244057 /nfs/dbraw/zinc/24/40/57/408244057.db2.gz AWDIAJDQJJOGCF-UHFFFAOYSA-N 1 0 307.354 1.442 20 5 DDBDRO C[C@@H](NC(=O)c1[nH]ncc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182822372 408256182 /nfs/dbraw/zinc/25/61/82/408256182.db2.gz PLXJOWNWGVAQCV-MNOVXSKESA-N 1 0 321.381 1.701 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C2(CO)CCCC2)c1 ZINC000175999297 408263458 /nfs/dbraw/zinc/26/34/58/408263458.db2.gz DFXJXJZJOOXJNY-ZDUSSCGKSA-N 1 0 310.350 1.229 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@@H](Nc3ccccc3)C2)n1 ZINC000176226029 408315392 /nfs/dbraw/zinc/31/53/92/408315392.db2.gz BFZBMHZKZDSXEB-CQSZACIVSA-N 1 0 301.350 1.978 20 5 DDBDRO O=[N+]([O-])c1ccn(CCN2CC[C@H](C[NH+]3CCCCC3)C2)n1 ZINC000176267082 408325888 /nfs/dbraw/zinc/32/58/88/408325888.db2.gz PEQSENMIMZMMRF-CQSZACIVSA-N 1 0 307.398 1.599 20 5 DDBDRO CCc1n[nH]c(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)c1[N+](=O)[O-] ZINC000246557404 408290470 /nfs/dbraw/zinc/29/04/70/408290470.db2.gz WLBDONHHXDRCQM-KOLCDFICSA-N 1 0 309.370 1.339 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)NCC[N@@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000269412476 408299435 /nfs/dbraw/zinc/29/94/35/408299435.db2.gz VSBDKUSWYQDCLU-NSHDSACASA-N 1 0 323.397 1.903 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)N2CCN(CC3CC3)CC2)c1[N+](=O)[O-] ZINC000269416776 408300299 /nfs/dbraw/zinc/30/02/99/408300299.db2.gz WOPGQAOASPXKRP-UHFFFAOYSA-N 1 0 321.381 1.609 20 5 DDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000190671748 408301569 /nfs/dbraw/zinc/30/15/69/408301569.db2.gz DKIRRWAFLCNZKW-ZDUSSCGKSA-N 1 0 318.377 1.877 20 5 DDBDRO CC[NH+]1CCN(CCNc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000269675153 408386969 /nfs/dbraw/zinc/38/69/69/408386969.db2.gz YOASGUZEGKZMIP-UHFFFAOYSA-N 1 0 314.336 1.922 20 5 DDBDRO C[NH+](C)CCn1ccc(NC(=O)Nc2ccncc2[N+](=O)[O-])n1 ZINC000191590930 408452470 /nfs/dbraw/zinc/45/24/70/408452470.db2.gz JZBFEQJOVNQGGC-UHFFFAOYSA-N 1 0 319.325 1.392 20 5 DDBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cccc([N+](=O)[O-])c1N ZINC000176550743 408392904 /nfs/dbraw/zinc/39/29/04/408392904.db2.gz RONGWVVISJGCRO-NEPJUHHUSA-N 1 0 318.377 1.876 20 5 DDBDRO COCCN(CC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000264189685 408396170 /nfs/dbraw/zinc/39/61/70/408396170.db2.gz OIVXSGSKQWJPFG-UHFFFAOYSA-N 1 0 313.329 1.384 20 5 DDBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000176612712 408404351 /nfs/dbraw/zinc/40/43/51/408404351.db2.gz AKEUCSWDNHJMHS-LLVKDONJSA-N 1 0 306.366 1.781 20 5 DDBDRO Cc1ccc(C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000264438530 408492026 /nfs/dbraw/zinc/49/20/26/408492026.db2.gz NQCKTUVFXSKVRJ-ZDUSSCGKSA-N 1 0 320.393 1.269 20 5 DDBDRO O=C(Cc1ccccc1[N+](=O)[O-])NC[C@H](O)C[NH+]1CCCCC1 ZINC000160577861 408500502 /nfs/dbraw/zinc/50/05/02/408500502.db2.gz JGELIFMJUDPDGO-AWEZNQCLSA-N 1 0 321.377 1.100 20 5 DDBDRO CCc1n[nH]c(C(=O)N(C)C[C@@H]2CCC[N@H+]2CC)c1[N+](=O)[O-] ZINC000177422163 408609875 /nfs/dbraw/zinc/60/98/75/408609875.db2.gz KAIPTDHCNXJSHP-JTQLQIEISA-N 1 0 309.370 1.437 20 5 DDBDRO Cc1ccc(NCCCNC(=O)[C@@H]([NH3+])C(C)C)c([N+](=O)[O-])c1 ZINC000161543266 408616019 /nfs/dbraw/zinc/61/60/19/408616019.db2.gz CKLCITALLPJZQJ-AWEZNQCLSA-N 1 0 308.382 1.805 20 5 DDBDRO COC[C@H](O)C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000265357567 408623289 /nfs/dbraw/zinc/62/32/89/408623289.db2.gz ALTCJMSLWBBKDG-CYBMUJFWSA-N 1 0 323.374 1.815 20 5 DDBDRO CO[C@@H]1C[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC[C@@H]1C ZINC000251933780 408790970 /nfs/dbraw/zinc/79/09/70/408790970.db2.gz UBUONCFZSBKOJG-JGGQBBKZSA-N 1 0 324.377 1.691 20 5 DDBDRO CC(C)C[C@@H](CO)[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000185371890 408801356 /nfs/dbraw/zinc/80/13/56/408801356.db2.gz SVDXINWJTKOVKD-ZDUSSCGKSA-N 1 0 309.366 1.533 20 5 DDBDRO CC(C)[C@@H](C)[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000177999860 408755155 /nfs/dbraw/zinc/75/51/55/408755155.db2.gz UMVZDBZNCNBHMN-LLVKDONJSA-N 1 0 315.395 1.507 20 5 DDBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000249764535 408763808 /nfs/dbraw/zinc/76/38/08/408763808.db2.gz ZRXVHYRLFMPWOJ-RYUDHWBXSA-N 1 0 309.370 1.028 20 5 DDBDRO [NH3+][C@H]1CC[C@@H]2CN(C(=O)COc3ccccc3[N+](=O)[O-])C[C@@H]12 ZINC000185155280 408772433 /nfs/dbraw/zinc/77/24/33/408772433.db2.gz ZFGGMUVZNQRZTM-UTUOFQBUSA-N 1 0 305.334 1.169 20 5 DDBDRO Cc1cc(C(=O)N(C)C2CC[NH+](C)CC2)c(N)c([N+](=O)[O-])c1 ZINC000178144626 408778877 /nfs/dbraw/zinc/77/88/77/408778877.db2.gz ZAIBOUYZKFMQFU-UHFFFAOYSA-N 1 0 306.366 1.652 20 5 DDBDRO C[C@H](C[NH+]1CCCCCC1)NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000185424110 162932285 /nfs/dbraw/zinc/93/22/85/162932285.db2.gz JYIYOUGTBZARBH-CYBMUJFWSA-N 1 0 323.397 1.562 20 5 DDBDRO C[NH+](C)[C@@H]1CCC[C@@H](Nc2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000290831993 408840031 /nfs/dbraw/zinc/84/00/31/408840031.db2.gz UTFYDLCFZGUVBO-NXEZZACHSA-N 1 0 307.354 1.373 20 5 DDBDRO Cc1noc(C)c1C(C)(C)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000285717098 408849711 /nfs/dbraw/zinc/84/97/11/408849711.db2.gz PVVPZSYUBIDZID-GFCCVEGCSA-N 1 0 323.353 1.282 20 5 DDBDRO CCc1nnc(C2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)[nH]1 ZINC000190706441 163155401 /nfs/dbraw/zinc/15/54/01/163155401.db2.gz HRWTUGFNIMOYQE-UHFFFAOYSA-N 1 0 319.369 1.351 20 5 DDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000277413192 408935699 /nfs/dbraw/zinc/93/56/99/408935699.db2.gz CIPCRYDABPEHCH-CYBMUJFWSA-N 1 0 318.377 1.924 20 5 DDBDRO CC(C)[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000291885409 408939761 /nfs/dbraw/zinc/93/97/61/408939761.db2.gz QKEMPSZWWFGQGW-CYBMUJFWSA-N 1 0 307.350 1.693 20 5 DDBDRO C[C@H]1COCC[C@H]1[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000277522706 408957387 /nfs/dbraw/zinc/95/73/87/408957387.db2.gz QYRVZTNAILIVFE-SMDDNHRTSA-N 1 0 319.361 1.499 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H](C)N1CC[NH+](C)CC1 ZINC000278071051 409061122 /nfs/dbraw/zinc/06/11/22/409061122.db2.gz VXINIPQZCMZMSV-CYBMUJFWSA-N 1 0 320.393 1.269 20 5 DDBDRO O=[N+]([O-])c1ccc2[nH]c(NC[C@H](O)C[NH+]3CCCCC3)nc2c1 ZINC000278400360 409080374 /nfs/dbraw/zinc/08/03/74/409080374.db2.gz GOXFBHWXLASSRX-LBPRGKRZSA-N 1 0 319.365 1.730 20 5 DDBDRO C[C@@H]1CN(CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H](C)[N@H+]1C ZINC000293344288 409093905 /nfs/dbraw/zinc/09/39/05/409093905.db2.gz HINDBIVOZCRWTN-TXEJJXNPSA-N 1 0 306.366 1.558 20 5 DDBDRO CCc1n[nH]c(C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)c1[N+](=O)[O-] ZINC000293865947 409196805 /nfs/dbraw/zinc/19/68/05/409196805.db2.gz KWXPAOAENCECMZ-AWEZNQCLSA-N 1 0 307.354 1.048 20 5 DDBDRO C[C@@H](CCCC[NH3+])NC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000293558873 409137970 /nfs/dbraw/zinc/13/79/70/409137970.db2.gz XFOCJYMQDIYFLX-NSHDSACASA-N 1 0 308.382 1.908 20 5 DDBDRO CCN1CC[NH+](C[C@H](C)CNc2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000283449731 409158466 /nfs/dbraw/zinc/15/84/66/409158466.db2.gz DOUPHGLMWKYNHR-CYBMUJFWSA-N 1 0 321.425 1.863 20 5 DDBDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000279166686 409162571 /nfs/dbraw/zinc/16/25/71/409162571.db2.gz GQYKMJMWTXYWGV-LLVKDONJSA-N 1 0 322.365 1.248 20 5 DDBDRO CN(C(=O)C[N@@H+]1CCC[C@](C)(O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000280275885 409283177 /nfs/dbraw/zinc/28/31/77/409283177.db2.gz YNEVBANIAGAOLW-INIZCTEOSA-N 1 0 321.377 1.795 20 5 DDBDRO C[NH+](C)C[C@H]1CCCN1C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000284188739 409292725 /nfs/dbraw/zinc/29/27/25/409292725.db2.gz YSSYKDXPXGDRTK-SECBINFHSA-N 1 0 310.329 1.482 20 5 DDBDRO C[C@@H](CO)[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)CC1CCC1 ZINC000280557877 409357571 /nfs/dbraw/zinc/35/75/71/409357571.db2.gz QYZDVEKCXQKLPP-LBPRGKRZSA-N 1 0 309.366 1.239 20 5 DDBDRO Cc1cc(OCC(=O)N[C@H](C)CC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000280618844 409382160 /nfs/dbraw/zinc/38/21/60/409382160.db2.gz SOHKLJXGKQQUGU-GFCCVEGCSA-N 1 0 309.366 1.738 20 5 DDBDRO [NH3+]CCCCNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000579835987 422841091 /nfs/dbraw/zinc/84/10/91/422841091.db2.gz YHAMDJRJXSEHEO-UHFFFAOYSA-N 1 0 320.393 1.666 20 5 DDBDRO CNC(=O)c1ccc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c([N+](=O)[O-])c1 ZINC000296037714 409409232 /nfs/dbraw/zinc/40/92/32/409409232.db2.gz PPSCJAAWLCOLCW-YHWZYXNKSA-N 1 0 318.377 1.992 20 5 DDBDRO NC(=O)c1ccnc(N2CC[C@@H]([NH+]3CCCCC3)C2)c1[N+](=O)[O-] ZINC000290531352 409433831 /nfs/dbraw/zinc/43/38/31/409433831.db2.gz HKLUTBPDKNNPOC-LLVKDONJSA-N 1 0 319.365 1.153 20 5 DDBDRO C[NH+](C)[C@H](CNc1nccc(C(N)=O)c1[N+](=O)[O-])c1ccco1 ZINC000290547289 409440896 /nfs/dbraw/zinc/44/08/96/409440896.db2.gz QAKCUZAGZBTGHD-SNVBAGLBSA-N 1 0 319.321 1.397 20 5 DDBDRO NC(=O)c1ccc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000317043686 164024982 /nfs/dbraw/zinc/02/49/82/164024982.db2.gz VBVFLVVBINSNDH-VXGBXAGGSA-N 1 0 304.350 1.732 20 5 DDBDRO O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000408024752 164201936 /nfs/dbraw/zinc/20/19/36/164201936.db2.gz GTRPCSFAZFIBLZ-LLVKDONJSA-N 1 0 314.345 1.996 20 5 DDBDRO Cn1nc([N+](=O)[O-])cc1C(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000356729518 409555330 /nfs/dbraw/zinc/55/53/30/409555330.db2.gz HEHFYZMKDZUVFK-UHFFFAOYSA-N 1 0 321.337 1.125 20 5 DDBDRO COc1cc(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000331547553 409623356 /nfs/dbraw/zinc/62/33/56/409623356.db2.gz RJEXWSJLZBASTJ-NSHDSACASA-N 1 0 305.334 1.570 20 5 DDBDRO CC(C)[N@@H+](C)C[C@H](C)NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000356756812 409577105 /nfs/dbraw/zinc/57/71/05/409577105.db2.gz BSHSTNHKQXQRGY-JTQLQIEISA-N 1 0 323.349 1.782 20 5 DDBDRO CC[C@@H](CNS(C)(=O)=O)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000296506316 409590417 /nfs/dbraw/zinc/59/04/17/409590417.db2.gz PHPRZTZLQVRMNA-JQWIXIFHSA-N 1 0 315.395 1.573 20 5 DDBDRO CC(C)[NH+]1CCC(N(C)C(=O)c2ccc([N+](=O)[O-])n2C)CC1 ZINC000345054329 409611869 /nfs/dbraw/zinc/61/18/69/409611869.db2.gz DVHIILKEJDMMQH-UHFFFAOYSA-N 1 0 308.382 1.878 20 5 DDBDRO C[N@@H+](Cc1cccc(F)c1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000304386548 409615876 /nfs/dbraw/zinc/61/58/76/409615876.db2.gz ZRMLRFUGCALLNA-AWEZNQCLSA-N 1 0 308.313 1.423 20 5 DDBDRO CCc1n[nH]c(C(=O)NCC[N@H+](C)C2CCCCC2)c1[N+](=O)[O-] ZINC000345609011 409706314 /nfs/dbraw/zinc/70/63/14/409706314.db2.gz WHTKTHIOWFCWPI-UHFFFAOYSA-N 1 0 323.397 1.875 20 5 DDBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000346057071 409743829 /nfs/dbraw/zinc/74/38/29/409743829.db2.gz UJAWROYQPHOHLL-QWHCGFSZSA-N 1 0 321.377 1.915 20 5 DDBDRO CC[C@@H](C)[NH+]1CCN(C(=O)CCn2cc([N+](=O)[O-])nc2C)CC1 ZINC000297053040 409776619 /nfs/dbraw/zinc/77/66/19/409776619.db2.gz UGGIJDGCANGTLK-GFCCVEGCSA-N 1 0 323.397 1.433 20 5 DDBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1cc([N+](=O)[O-])nn1C ZINC000346123378 409798021 /nfs/dbraw/zinc/79/80/21/409798021.db2.gz AULNMSJGZPKEHD-MNOVXSKESA-N 1 0 307.354 1.027 20 5 DDBDRO O=[N+]([O-])c1ccc2oc(CN3CC[C@H]4C[NH2+]C[C@H]4C3)nc2c1 ZINC000357092312 409866225 /nfs/dbraw/zinc/86/62/25/409866225.db2.gz ULSOGNAPAMZSAT-QWRGUYRKSA-N 1 0 302.334 1.777 20 5 DDBDRO CC[NH+](CC)[C@H]1CCN(c2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000357518073 410079040 /nfs/dbraw/zinc/07/90/40/410079040.db2.gz VJCLPMGBTQGWET-JTQLQIEISA-N 1 0 307.354 1.009 20 5 DDBDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000351756072 410211455 /nfs/dbraw/zinc/21/14/55/410211455.db2.gz ONJCHFNHGKQRAO-CHWSQXEVSA-N 1 0 320.393 1.983 20 5 DDBDRO C[NH+](C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])[nH]1)c1ccccc1 ZINC000298853773 410422520 /nfs/dbraw/zinc/42/25/20/410422520.db2.gz NHMQVEUCIVGFKI-CYBMUJFWSA-N 1 0 302.334 1.956 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[N@H+](C)[C@H]2C)c1 ZINC000343511884 410503113 /nfs/dbraw/zinc/50/31/13/410503113.db2.gz JGHXPOMPNDTBTQ-GWCFXTLKSA-N 1 0 307.350 1.816 20 5 DDBDRO Cn1c(C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000347384813 410511864 /nfs/dbraw/zinc/51/18/64/410511864.db2.gz ZCFKQVTVIDKXDF-CYBMUJFWSA-N 1 0 320.393 1.737 20 5 DDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NCC[NH+]1CCCCC1 ZINC000301141934 410664001 /nfs/dbraw/zinc/66/40/01/410664001.db2.gz CIIHQPCBQVIDFN-UHFFFAOYSA-N 1 0 306.366 1.852 20 5 DDBDRO CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000343807244 410714104 /nfs/dbraw/zinc/71/41/04/410714104.db2.gz TURNZJDZRXJHQL-VXGBXAGGSA-N 1 0 323.397 1.948 20 5 DDBDRO CC[NH+]1CCN([C@H](C)CNc2c([N+](=O)[O-])c(C)nn2C)CC1 ZINC000301242993 410685560 /nfs/dbraw/zinc/68/55/60/410685560.db2.gz AFYOPLKIJIRICX-LLVKDONJSA-N 1 0 310.402 1.075 20 5 DDBDRO CCO[C@H]1COCC[C@H]1[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000353128939 410801752 /nfs/dbraw/zinc/80/17/52/410801752.db2.gz LZJUUXQXAOOKLS-DOMZBBRYSA-N 1 0 310.350 1.887 20 5 DDBDRO Cn1cc([N+](=O)[O-])c(C(=O)N(CC[NH+](C)C)C2CCCC2)n1 ZINC000330665982 410861933 /nfs/dbraw/zinc/86/19/33/410861933.db2.gz WXODIEZVGRKYGX-UHFFFAOYSA-N 1 0 309.370 1.275 20 5 DDBDRO Cc1n[nH]c(C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000341165068 410908168 /nfs/dbraw/zinc/90/81/68/410908168.db2.gz JKIFTSWBIGPKFM-LBPRGKRZSA-N 1 0 321.381 1.717 20 5 DDBDRO COc1ccc(CN(C)C2CC[NH+](CCO)CC2)cc1[N+](=O)[O-] ZINC000353354549 410937940 /nfs/dbraw/zinc/93/79/40/410937940.db2.gz PCJGNBINGNYOST-UHFFFAOYSA-N 1 0 323.393 1.492 20 5 DDBDRO Cc1cc(OCC(=O)N2C[C@@H](C)[N@@H+](C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000331208983 411018286 /nfs/dbraw/zinc/01/82/86/411018286.db2.gz WHJBVOMOGOBAQI-CHWSQXEVSA-N 1 0 321.377 1.833 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)n1 ZINC000331218403 411021882 /nfs/dbraw/zinc/02/18/82/411021882.db2.gz XCCZWLIQYDCFCA-NSHDSACASA-N 1 0 323.397 1.614 20 5 DDBDRO Cn1nc([N+](=O)[O-])cc1C(=O)NCc1ccccc1C[NH+](C)C ZINC000356459828 411041363 /nfs/dbraw/zinc/04/13/63/411041363.db2.gz QYAOLJPQCIDCNQ-UHFFFAOYSA-N 1 0 317.349 1.320 20 5 DDBDRO C[NH2+][C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C1 ZINC000133262786 196326348 /nfs/dbraw/zinc/32/63/48/196326348.db2.gz GWXVCKNRZVRNQH-NSHDSACASA-N 1 0 306.366 1.485 20 5 DDBDRO CNc1nccc(C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)c1[N+](=O)[O-] ZINC000516313076 416720975 /nfs/dbraw/zinc/72/09/75/416720975.db2.gz JLFPRAAGGFUALY-JTQLQIEISA-N 1 0 319.365 1.412 20 5 DDBDRO Cc1c(C(=O)N[C@H]2CCC[N@H+](CCCO)C2)cccc1[N+](=O)[O-] ZINC000295633397 225068198 /nfs/dbraw/zinc/06/81/98/225068198.db2.gz ZMECBTLPZHFAFP-ZDUSSCGKSA-N 1 0 321.377 1.480 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000420399302 226483696 /nfs/dbraw/zinc/48/36/96/226483696.db2.gz NTMNALRUJJQEFF-OLZOCXBDSA-N 1 0 320.393 1.914 20 5 DDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000361075664 418578612 /nfs/dbraw/zinc/57/86/12/418578612.db2.gz CQBZEACTWVTGIC-GHMZBOCLSA-N 1 0 306.366 1.849 20 5 DDBDRO Cc1cc(C(=O)N2CC[C@@H]3CC[N@@H+](C)[C@@H]3C2)c(N)c([N+](=O)[O-])c1 ZINC000375037020 418593459 /nfs/dbraw/zinc/59/34/59/418593459.db2.gz HXURXPBZETUEKB-SMDDNHRTSA-N 1 0 318.377 1.652 20 5 DDBDRO CC1(C)[C@H](O)CC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000361403198 418644585 /nfs/dbraw/zinc/64/45/85/418644585.db2.gz NFYCZFSURSATDG-GXTWGEPZSA-N 1 0 310.350 1.180 20 5 DDBDRO C[C@H](CO)[N@@H+]1CCCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000375513092 418652289 /nfs/dbraw/zinc/65/22/89/418652289.db2.gz UGHVPMAEECOWKG-GFCCVEGCSA-N 1 0 322.365 1.515 20 5 DDBDRO CCOc1cc(C[N@H+](CCO)[C@@H]2CCO[C@@H]2C)ccc1[N+](=O)[O-] ZINC000361584685 418686182 /nfs/dbraw/zinc/68/61/82/418686182.db2.gz FXXXBGZECLMMND-TZMCWYRMSA-N 1 0 324.377 1.965 20 5 DDBDRO [NH3+]C[C@@H]1CC[C@@H](NS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000382470129 418730691 /nfs/dbraw/zinc/73/06/91/418730691.db2.gz PFMWERURLARUIB-VXGBXAGGSA-N 1 0 313.379 1.142 20 5 DDBDRO [NH3+][C@@H]1CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000422718376 227132388 /nfs/dbraw/zinc/13/23/88/227132388.db2.gz XBVIVHLMROOTPJ-SECBINFHSA-N 1 0 315.782 1.900 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)NCC2([NH3+])CCCCCC2)n1 ZINC000422745431 227150317 /nfs/dbraw/zinc/15/03/17/227150317.db2.gz XQXSFMLEJNSNTQ-UHFFFAOYSA-N 1 0 309.370 1.593 20 5 DDBDRO O=C1CCCN1CC1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000371843695 418821099 /nfs/dbraw/zinc/82/10/99/418821099.db2.gz BDJSJKRVJZPQLP-UHFFFAOYSA-N 1 0 321.381 1.126 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[N@@H+]([C@@H](C)CO)CC1 ZINC000364933277 418825453 /nfs/dbraw/zinc/82/54/53/418825453.db2.gz MCAKHAHZJYAURR-ZDUSSCGKSA-N 1 0 321.377 1.432 20 5 DDBDRO C[C@H](CO)[N@@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000372733276 418897544 /nfs/dbraw/zinc/89/75/44/418897544.db2.gz WIKCEHODRVPCBF-GFCCVEGCSA-N 1 0 307.350 1.124 20 5 DDBDRO Cc1ccc([C@@H](C)NC(=O)N2CCO[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000417842965 419350277 /nfs/dbraw/zinc/35/02/77/419350277.db2.gz GRBFIHLMFKQOOL-YPMHNXCESA-N 1 0 322.365 1.333 20 5 DDBDRO Cc1nn(CCC(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)c(C)c1[N+](=O)[O-] ZINC000424022128 228220607 /nfs/dbraw/zinc/22/06/07/228220607.db2.gz UPUABHIXRGRHTM-ZWNOBZJWSA-N 1 0 323.397 1.242 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCCCN1CC[NH+](C)CC1 ZINC000298147173 228381950 /nfs/dbraw/zinc/38/19/50/228381950.db2.gz GIAKKOMBAGBLHC-UHFFFAOYSA-N 1 0 320.393 1.271 20 5 DDBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000417931033 419395305 /nfs/dbraw/zinc/39/53/05/419395305.db2.gz BLAYIMOUKBRIPM-HNNXBMFYSA-N 1 0 318.377 1.673 20 5 DDBDRO C[C@H]([NH2+]CC(=O)NC[C@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000411776168 419402680 /nfs/dbraw/zinc/40/26/80/419402680.db2.gz ZNVFEPIDEWGOAV-SMDDNHRTSA-N 1 0 307.350 1.541 20 5 DDBDRO C[C@@H]1C[C@H](CO)C[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000420936978 419368751 /nfs/dbraw/zinc/36/87/51/419368751.db2.gz JFWLARRQKOJEGQ-OLZOCXBDSA-N 1 0 321.377 1.508 20 5 DDBDRO CN(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C[C@H]1CCC[N@@H+]1C ZINC000421011132 419446193 /nfs/dbraw/zinc/44/61/93/419446193.db2.gz RZYMNIVETGQFCH-OAHLLOKOSA-N 1 0 320.393 1.584 20 5 DDBDRO Cc1c(CNC(=O)NCC[C@@H]2CC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000418080792 419517399 /nfs/dbraw/zinc/51/73/99/419517399.db2.gz MYYSLOARBSGGMT-LBPRGKRZSA-N 1 0 306.366 1.702 20 5 DDBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H]1CCc2nnnn2CC1 ZINC000421402398 419600758 /nfs/dbraw/zinc/60/07/58/419600758.db2.gz VTTMDQUQGWYVTN-HSBHDXMMSA-N 1 0 314.349 1.589 20 5 DDBDRO COC(=O)[C@H]1CSCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000412092348 419649905 /nfs/dbraw/zinc/64/99/05/419649905.db2.gz ZISQZDVNKYPDQU-CYBMUJFWSA-N 1 0 324.402 1.975 20 5 DDBDRO COCC[NH2+]CCNC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000418511827 419848376 /nfs/dbraw/zinc/84/83/76/419848376.db2.gz RYAWWGBAMJXKMM-UHFFFAOYSA-N 1 0 324.381 1.015 20 5 DDBDRO COc1cc(CN[C@H]2CC[NH2+]C[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000414962919 419897071 /nfs/dbraw/zinc/89/70/71/419897071.db2.gz SYSCDVJLGFCTJI-JQWIXIFHSA-N 1 0 309.366 1.700 20 5 DDBDRO C[C@@H]1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000261597285 287598473 /nfs/dbraw/zinc/59/84/73/287598473.db2.gz NHXHFULFJMIFSB-MNOVXSKESA-N 1 0 313.379 1.343 20 5 DDBDRO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000429770348 420046201 /nfs/dbraw/zinc/04/62/01/420046201.db2.gz FJKNWLRGAXBMCO-QWRGUYRKSA-N 1 0 320.349 1.038 20 5 DDBDRO COc1cc(C(=O)N2CC[NH2+][C@H](C)[C@H]2C)cc([N+](=O)[O-])c1C ZINC000423606355 420096704 /nfs/dbraw/zinc/09/67/04/420096704.db2.gz KCVYIMWSWXVXJH-GHMZBOCLSA-N 1 0 307.350 1.734 20 5 DDBDRO CCC[NH2+]CCNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1CC ZINC000415522880 420099933 /nfs/dbraw/zinc/09/99/33/420099933.db2.gz WWLBKUOYDKSXPW-UHFFFAOYSA-N 1 0 322.365 1.212 20 5 DDBDRO CC(C)[C@H](C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[C@H](C)[NH3+] ZINC000423724181 420142784 /nfs/dbraw/zinc/14/27/84/420142784.db2.gz MHEQNWOHNSEKNN-UFBFGSQYSA-N 1 0 305.338 2.029 20 5 DDBDRO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000415627290 420128468 /nfs/dbraw/zinc/12/84/68/420128468.db2.gz BBHCPWCOCCOMSA-RNCFNFMXSA-N 1 0 308.313 1.950 20 5 DDBDRO COc1ccc(OCCN[C@@](C)(C[NH3+])C2CC2)c([N+](=O)[O-])c1 ZINC000430562467 420137898 /nfs/dbraw/zinc/13/78/98/420137898.db2.gz RMYGMIGXXZPZGK-HNNXBMFYSA-N 1 0 309.366 1.699 20 5 DDBDRO COc1ccc(NC(=O)N[C@@H]2CC[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000415447770 420070804 /nfs/dbraw/zinc/07/08/04/420070804.db2.gz ULYGXTYEWRYIPP-VHSXEESVSA-N 1 0 308.338 1.852 20 5 DDBDRO Cc1c(NC(=O)C(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000415448703 420071383 /nfs/dbraw/zinc/07/13/83/420071383.db2.gz JHNSCNSDEYXGEG-MWLCHTKSSA-N 1 0 320.349 1.037 20 5 DDBDRO O=C(NCC1=CC[NH2+]CC1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000423538826 420076127 /nfs/dbraw/zinc/07/61/27/420076127.db2.gz AKSCFVQTTFCSPM-UHFFFAOYSA-N 1 0 312.329 1.793 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000415492299 420089339 /nfs/dbraw/zinc/08/93/39/420089339.db2.gz BPLWMKCNLPMTAQ-JOYOIKCWSA-N 1 0 308.338 1.723 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000415500928 420091408 /nfs/dbraw/zinc/09/14/08/420091408.db2.gz MDWOWMHVAFPSAP-KOLCDFICSA-N 1 0 308.338 1.723 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000423592451 420091664 /nfs/dbraw/zinc/09/16/64/420091664.db2.gz LNDMHNQOSHGLTK-TXEJJXNPSA-N 1 0 319.361 1.960 20 5 DDBDRO COC(=O)c1cc(C(=O)N2CC[NH2+][C@H](C)[C@H]2C)cc([N+](=O)[O-])c1 ZINC000423591600 420091808 /nfs/dbraw/zinc/09/18/08/420091808.db2.gz CKCROKMJPCTLBD-NXEZZACHSA-N 1 0 321.333 1.204 20 5 DDBDRO COC(=O)[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)[C@H]1C ZINC000430231955 420092324 /nfs/dbraw/zinc/09/23/24/420092324.db2.gz DNRHJSRXBUYVDY-GWCFXTLKSA-N 1 0 308.334 1.987 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000415867124 420203428 /nfs/dbraw/zinc/20/34/28/420203428.db2.gz KLHSVZQLYQKUHT-NSHDSACASA-N 1 0 320.349 1.100 20 5 DDBDRO C[NH2+]C1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000430929542 420210387 /nfs/dbraw/zinc/21/03/87/420210387.db2.gz OZWSCIFLHUFVPQ-UHFFFAOYSA-N 1 0 306.366 1.607 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC[C@H]2C[N@H+]2CCC[C@H]2CO)nc1 ZINC000301526263 229721592 /nfs/dbraw/zinc/72/15/92/229721592.db2.gz JFGYDYIJSBVXJC-KBPBESRZSA-N 1 0 306.366 1.415 20 5 DDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000415758732 420167800 /nfs/dbraw/zinc/16/78/00/420167800.db2.gz HWMOIIHEJAXBJS-ZDUSSCGKSA-N 1 0 322.365 1.739 20 5 DDBDRO C[C@@H]1CN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC[C@@H]1[NH3+] ZINC000430954088 420221543 /nfs/dbraw/zinc/22/15/43/420221543.db2.gz IPBNPHHNOCVDET-BYCMXARLSA-N 1 0 318.377 1.369 20 5 DDBDRO C[C@@H]1CN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000420342664 420222115 /nfs/dbraw/zinc/22/21/15/420222115.db2.gz XQCWPPZXNDEXOT-SECBINFHSA-N 1 0 312.757 1.480 20 5 DDBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCCO[C@@H](C[NH3+])C1 ZINC000420392037 420256359 /nfs/dbraw/zinc/25/63/59/420256359.db2.gz PDLVXDPZAHIQNK-HNNXBMFYSA-N 1 0 323.393 1.932 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2C[C@@H](C)[C@H]([NH3+])C2)c1 ZINC000420437385 420285409 /nfs/dbraw/zinc/28/54/09/420285409.db2.gz PVXLQDLKCGVIOA-MWLCHTKSSA-N 1 0 313.379 1.179 20 5 DDBDRO COc1ccc(CSCC(=O)N(C)CC[NH3+])cc1[N+](=O)[O-] ZINC000424004729 420301991 /nfs/dbraw/zinc/30/19/91/420301991.db2.gz NLMFUCDNVOQYJD-UHFFFAOYSA-N 1 0 313.379 1.254 20 5 DDBDRO CCn1cncc1CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000417789206 420479113 /nfs/dbraw/zinc/47/91/13/420479113.db2.gz IZFBAWCODMNUHA-LBPRGKRZSA-N 1 0 316.365 1.893 20 5 DDBDRO CC1(C)CCC[N@@H+]1CCNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000450953356 420568921 /nfs/dbraw/zinc/56/89/21/420568921.db2.gz YFAGXBBNJKWTSS-UHFFFAOYSA-N 1 0 307.354 1.375 20 5 DDBDRO Cc1ccc(S(=O)(=O)NC[C@H]([NH3+])C(C)C)c([N+](=O)[O-])c1 ZINC000440431172 420575398 /nfs/dbraw/zinc/57/53/98/420575398.db2.gz HRRREWGOCJENMZ-JTQLQIEISA-N 1 0 301.368 1.165 20 5 DDBDRO CC(C)(C[NH+]1CCCC1)NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000457014902 420588540 /nfs/dbraw/zinc/58/85/40/420588540.db2.gz ANUZFMDQKKEBAI-UHFFFAOYSA-N 1 0 321.377 1.964 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000452789160 420661871 /nfs/dbraw/zinc/66/18/71/420661871.db2.gz AFWAGTRNKJGULS-ZDUSSCGKSA-N 1 0 321.377 1.480 20 5 DDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+][C@@H]2C=C[C@H](CO)C2)n1 ZINC000447578438 420784438 /nfs/dbraw/zinc/78/44/38/420784438.db2.gz FNDCYKJGLQZSMK-REWJHTLYSA-N 1 0 306.366 1.802 20 5 DDBDRO COCCN1CC[C@@H]([NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000449153224 420961035 /nfs/dbraw/zinc/96/10/35/420961035.db2.gz JAPCSHRSDIPTFP-DZGCQCFKSA-N 1 0 307.394 1.836 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCNc1cnccn1 ZINC000449196786 420968345 /nfs/dbraw/zinc/96/83/45/420968345.db2.gz ZAAFPWGTBTUWFF-GFCCVEGCSA-N 1 0 301.350 2.018 20 5 DDBDRO C[N@@H+]1CC[C@@](O)(CNc2c3ccccc3ncc2[N+](=O)[O-])C1 ZINC000487759925 421047733 /nfs/dbraw/zinc/04/77/33/421047733.db2.gz IYHYDCWJWRKVTO-OAHLLOKOSA-N 1 0 302.334 1.043 20 5 DDBDRO CC[C@H]([NH3+])CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000449607081 421037215 /nfs/dbraw/zinc/03/72/15/421037215.db2.gz VTAGDLPLFCTBLY-JTQLQIEISA-N 1 0 303.322 1.248 20 5 DDBDRO [NH3+]CC[C@@H](NC(=O)COc1cccc([N+](=O)[O-])c1)C(F)F ZINC000449610818 421038266 /nfs/dbraw/zinc/03/82/66/421038266.db2.gz HXKCWTCUBHSCHF-SNVBAGLBSA-N 1 0 303.265 1.072 20 5 DDBDRO [NH3+]C[C@H]1CC[C@@H](NC(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000449719914 421067630 /nfs/dbraw/zinc/06/76/30/421067630.db2.gz RJSIFBYUTIWQCF-NWDGAFQWSA-N 1 0 306.366 1.640 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000489375311 421150985 /nfs/dbraw/zinc/15/09/85/421150985.db2.gz OUUNVGKJNPIQFX-CYBMUJFWSA-N 1 0 323.397 1.288 20 5 DDBDRO COc1cc(CNCC[N@@H+]2CC[C@H](C)C2)c([N+](=O)[O-])cc1O ZINC000525800680 421302954 /nfs/dbraw/zinc/30/29/54/421302954.db2.gz HDHGBZVIEKDJTN-NSHDSACASA-N 1 0 309.366 1.740 20 5 DDBDRO CC[NH+]1C[C@@H](C)N(C(=O)c2c([N+](=O)[O-])c(C)nn2C)[C@H](C)C1 ZINC000561810881 421335773 /nfs/dbraw/zinc/33/57/73/421335773.db2.gz MXYJRYNLZLEFMR-NXEZZACHSA-N 1 0 309.370 1.191 20 5 DDBDRO CNc1nccc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000563547530 421520372 /nfs/dbraw/zinc/52/03/72/421520372.db2.gz VNYFWYKXLQCKLU-QWRGUYRKSA-N 1 0 321.381 1.586 20 5 DDBDRO CC(C)C[NH+]1CCC(NC(=O)c2ccnc(N)c2[N+](=O)[O-])CC1 ZINC000548748279 421470023 /nfs/dbraw/zinc/47/00/23/421470023.db2.gz CHDFOSICNKSSJC-UHFFFAOYSA-N 1 0 321.381 1.422 20 5 DDBDRO C[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1CCOCC1 ZINC000533310309 421671160 /nfs/dbraw/zinc/67/11/60/421671160.db2.gz HAZHFDCHKFGDKB-UHFFFAOYSA-N 1 0 319.361 1.595 20 5 DDBDRO CC(C)(C)[N@@H+]1CCCN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000520153246 421738351 /nfs/dbraw/zinc/73/83/51/421738351.db2.gz WQJAGTLPJAODEM-UHFFFAOYSA-N 1 0 321.381 1.399 20 5 DDBDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C1 ZINC000522167698 421818734 /nfs/dbraw/zinc/81/87/34/421818734.db2.gz YXZPBYLRAOAIBT-JTQLQIEISA-N 1 0 308.338 1.156 20 5 DDBDRO C[C@@H](CCNC(=O)c1ccc([N+](=O)[O-])cn1)[NH+]1CCCCC1 ZINC000542455171 421823415 /nfs/dbraw/zinc/82/34/15/421823415.db2.gz RXUDXKIEZWRPSO-LBPRGKRZSA-N 1 0 306.366 1.984 20 5 DDBDRO COc1ccc(CC(=O)NC[C@H]2CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000521114778 421774953 /nfs/dbraw/zinc/77/49/53/421774953.db2.gz JMPCYWCIZJSTEI-GFCCVEGCSA-N 1 0 307.350 1.214 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H]2CCC[C@H](C3CC3)C2)c1 ZINC000574632194 422147616 /nfs/dbraw/zinc/14/76/16/422147616.db2.gz PRINOEPGZFVVHB-GUTXKFCHSA-N 1 0 308.382 1.711 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CCC2(O)CCC2)c1 ZINC000574566813 422133114 /nfs/dbraw/zinc/13/31/14/422133114.db2.gz RKSNTHSTHVWDPZ-CYBMUJFWSA-N 1 0 310.350 1.229 20 5 DDBDRO Cc1c(C[NH3+])c(NC(=O)c2cc([N+](=O)[O-])ccc2C)nn1C ZINC000595960365 422359264 /nfs/dbraw/zinc/35/92/64/422359264.db2.gz DEEGXDUBRDTRFK-UHFFFAOYSA-N 1 0 303.322 1.656 20 5 DDBDRO C[C@H]1C[C@H](C)C[NH+](CCCNc2ccc(N)c([N+](=O)[O-])n2)C1 ZINC000596078370 422362001 /nfs/dbraw/zinc/36/20/01/422362001.db2.gz UHDBSVTUHNALFY-RYUDHWBXSA-N 1 0 307.398 2.352 20 5 DDBDRO CC[C@]1(O)CCC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000602983365 422439968 /nfs/dbraw/zinc/43/99/68/422439968.db2.gz IWZIWTXEPXHMNH-BBRMVZONSA-N 1 0 324.377 1.571 20 5 DDBDRO Cc1ccc(S(=O)(=O)N[C@@H](C)C[C@@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000577729401 422416157 /nfs/dbraw/zinc/41/61/57/422416157.db2.gz MXRAALMAYCMEBV-ZJUUUORDSA-N 1 0 301.368 1.307 20 5 DDBDRO C[C@H](Cn1cccn1)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000342361266 271389859 /nfs/dbraw/zinc/38/98/59/271389859.db2.gz SLDXVQHPEXUSQZ-OLZOCXBDSA-N 1 0 320.349 1.209 20 5 DDBDRO [NH3+]C1(CNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000342624637 271465174 /nfs/dbraw/zinc/46/51/74/271465174.db2.gz ZCOJUGJFXBRFNW-UHFFFAOYSA-N 1 0 306.366 1.785 20 5 DDBDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000344617088 272071196 /nfs/dbraw/zinc/07/11/96/272071196.db2.gz QDNTVTJHJKHVBL-LLVKDONJSA-N 1 0 309.370 1.028 20 5 DDBDRO C[NH+](C)CCOCCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000345964444 272376931 /nfs/dbraw/zinc/37/69/31/272376931.db2.gz RISIRGQQPJKAEX-UHFFFAOYSA-N 1 0 323.393 1.567 20 5 DDBDRO CC[N@@H+]1C[C@H](C)N(C(=O)CCn2cc([N+](=O)[O-])nc2C)C[C@@H]1C ZINC000346050862 272399431 /nfs/dbraw/zinc/39/94/31/272399431.db2.gz RIDGHJDJRIVRCO-RYUDHWBXSA-N 1 0 323.397 1.431 20 5 DDBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)COc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000346053865 272399914 /nfs/dbraw/zinc/39/99/14/272399914.db2.gz UJAWROYQPHOHLL-CHWSQXEVSA-N 1 0 321.377 1.915 20 5 DDBDRO COC(=O)c1cc(N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)cc(C)c1[N+](=O)[O-] ZINC000450775702 274000499 /nfs/dbraw/zinc/00/04/99/274000499.db2.gz GLPAZDGJUNVACV-SMDDNHRTSA-N 1 0 319.361 1.830 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC000285989935 274004201 /nfs/dbraw/zinc/00/42/01/274004201.db2.gz CPFDUMKQNWKDJJ-JTQLQIEISA-N 1 0 306.322 1.061 20 5 DDBDRO O=[N+]([O-])c1cc2c(ncnc2N2CC[C@@H]3C[NH2+]C[C@@H]3C2)s1 ZINC000261628371 275034091 /nfs/dbraw/zinc/03/40/91/275034091.db2.gz HJQZCTYQSFVECD-RKDXNWHRSA-N 1 0 305.363 1.645 20 5 DDBDRO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000177022556 276181506 /nfs/dbraw/zinc/18/15/06/276181506.db2.gz HKNNZNIFEJLEQE-NSHDSACASA-N 1 0 309.370 1.193 20 5 DDBDRO CC[NH2+]CCNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000236970676 276266457 /nfs/dbraw/zinc/26/64/57/276266457.db2.gz MYQTVBFHIHRVBO-UHFFFAOYSA-N 1 0 305.256 1.953 20 5 DDBDRO C[NH2+]C1CCN(S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])CC1 ZINC000237098541 277263371 /nfs/dbraw/zinc/26/33/71/277263371.db2.gz WVVXLHDLGBGAPR-UHFFFAOYSA-N 1 0 313.379 1.276 20 5 DDBDRO CC(C)(C)c1ccc(C(=O)N2CCO[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000274747862 277266512 /nfs/dbraw/zinc/26/65/12/277266512.db2.gz GBCSKJBSZNSVPA-LBPRGKRZSA-N 1 0 321.377 1.692 20 5 DDBDRO C[C@]1(F)C[NH2+]CCN(c2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000420270760 280164712 /nfs/dbraw/zinc/16/47/12/280164712.db2.gz UZHXJLZIMSIQEW-AWEZNQCLSA-N 1 0 305.313 1.676 20 5 DDBDRO C[S@](=O)C[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000183120416 280180122 /nfs/dbraw/zinc/18/01/22/280180122.db2.gz LNSJNKFHIIUWMU-XMHCIUCPSA-N 1 0 322.390 1.501 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000130017375 281365477 /nfs/dbraw/zinc/36/54/77/281365477.db2.gz YABZMDNDHGVDMP-UHFFFAOYSA-N 1 0 323.397 1.336 20 5 DDBDRO C[N@@H+]1CCO[C@@H]2CCN(c3c4c(ccc3[N+](=O)[O-])NCC4)C[C@@H]21 ZINC000408026856 290087264 /nfs/dbraw/zinc/08/72/64/290087264.db2.gz JJAOSVJPLOKGTO-LSDHHAIUSA-N 1 0 318.377 1.472 20 5 DDBDRO CO[C@@](C)([C@@H](C)[NH2+]CCn1cc([N+](=O)[O-])ccc1=O)C1CC1 ZINC000411965474 294089714 /nfs/dbraw/zinc/08/97/14/294089714.db2.gz FNAZLTCPSWUVFV-ABAIWWIYSA-N 1 0 309.366 1.550 20 5 DDBDRO C[C@H]([NH2+]CCCN1C(=O)CNC1=O)c1cccc([N+](=O)[O-])c1 ZINC000173402418 298255353 /nfs/dbraw/zinc/25/53/53/298255353.db2.gz UXIFSOZSINBNPL-JTQLQIEISA-N 1 0 306.322 1.187 20 5 DDBDRO C[C@H]([NH3+])[C@H](C)N[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000423472805 298992424 /nfs/dbraw/zinc/99/24/24/298992424.db2.gz QJMVVZYNQQDIGL-COPLHBTASA-N 1 0 303.366 1.743 20 5 DDBDRO O=C(NCCNc1ccccc1[N+](=O)[O-])[C@H]1C[NH+]2CCC1CC2 ZINC000362804991 300145254 /nfs/dbraw/zinc/14/52/54/300145254.db2.gz HIXBZWYSKSOCTR-ZDUSSCGKSA-N 1 0 318.377 1.465 20 5 DDBDRO Cc1nn(C)c(C(=O)N2CCC[N@@H+](CC(C)C)CC2)c1[N+](=O)[O-] ZINC000362999695 300196951 /nfs/dbraw/zinc/19/69/51/300196951.db2.gz IWLWOUDDLBWDML-UHFFFAOYSA-N 1 0 323.397 1.441 20 5 DDBDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000363020489 300199296 /nfs/dbraw/zinc/19/92/96/300199296.db2.gz LKXOZSDBLTUORI-UWVGGRQHSA-N 1 0 306.322 1.052 20 5 DDBDRO NC(=O)c1ccc(N2CCC[C@@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000363635878 300290575 /nfs/dbraw/zinc/29/05/75/300290575.db2.gz PGSQIYLSAVHODF-CYBMUJFWSA-N 1 0 318.377 1.758 20 5 DDBDRO O=C(c1ccc([N+](=O)[O-])cn1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000363871449 300318989 /nfs/dbraw/zinc/31/89/89/300318989.db2.gz CYYQOVVZQPACJL-ZDUSSCGKSA-N 1 0 304.350 1.690 20 5 DDBDRO C[C@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000262769016 300324663 /nfs/dbraw/zinc/32/46/63/300324663.db2.gz LQIVWENWIVMEMN-WPRPVWTQSA-N 1 0 317.342 1.010 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CCN(c3nc4sccn4c3[N+](=O)[O-])C[C@@H]21 ZINC000364300811 300372390 /nfs/dbraw/zinc/37/23/90/300372390.db2.gz GURFOZRAFNSNMS-ZJUUUORDSA-N 1 0 307.379 1.834 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H]1CCO[C@H]1C1CC1 ZINC000365340747 300501003 /nfs/dbraw/zinc/50/10/03/300501003.db2.gz BZKBEVUTNJOURW-WWGRRREGSA-N 1 0 322.361 1.492 20 5 DDBDRO CCCc1n[nH]c(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000369144148 301136441 /nfs/dbraw/zinc/13/64/41/301136441.db2.gz OFQGBABHUQSSKC-WDEREUQCSA-N 1 0 321.381 1.627 20 5 DDBDRO CCOC(=O)[C@]1(C(C)C)CC[N@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000370525361 301357098 /nfs/dbraw/zinc/35/70/98/301357098.db2.gz FJDNTQXYOGQUIU-OAHLLOKOSA-N 1 0 324.381 1.740 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1[C@@H]2CC[C@H]1C[C@H]([NH3+])C2 ZINC000372449006 301573786 /nfs/dbraw/zinc/57/37/86/301573786.db2.gz XKICXSZPJHMWPW-CNDDSTCGSA-N 1 0 318.377 1.755 20 5 DDBDRO Cc1nn(CCC(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)c(C)c1[N+](=O)[O-] ZINC000373053707 301655028 /nfs/dbraw/zinc/65/50/28/301655028.db2.gz UKNLBYNLZGFOGF-CHWSQXEVSA-N 1 0 321.381 1.009 20 5 DDBDRO C[C@@H]1[C@H](NC(=O)[C@H]2C[C@H]2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000377079653 302140244 /nfs/dbraw/zinc/14/02/44/302140244.db2.gz CVGROMQSKOONJR-FAAHXZRKSA-N 1 0 303.362 1.431 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC[N@@H+]3CCC[C@H]3C2)c2nonc21 ZINC000377481551 302183639 /nfs/dbraw/zinc/18/36/39/302183639.db2.gz MDOSRLPCIJVLIT-JTQLQIEISA-N 1 0 303.322 1.806 20 5 DDBDRO CCOc1ccc(C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000377748947 302225153 /nfs/dbraw/zinc/22/51/53/302225153.db2.gz UNXVJHMFIKIWDW-QWHCGFSZSA-N 1 0 319.361 1.675 20 5 DDBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)[C@]1(F)CC[NH2+]C1 ZINC000378210853 302296183 /nfs/dbraw/zinc/29/61/83/302296183.db2.gz YOYMGOQSWWMXEO-HNNXBMFYSA-N 1 0 309.341 1.735 20 5 DDBDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)c1ccc([N+](=O)[O-])o1 ZINC000378227213 302299509 /nfs/dbraw/zinc/29/95/09/302299509.db2.gz WJEJQWDJAWNYHL-NQBHXWOUSA-N 1 0 323.349 1.512 20 5 DDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000378546579 302333539 /nfs/dbraw/zinc/33/35/39/302333539.db2.gz WQCBQZTZKHDLHZ-GHMZBOCLSA-N 1 0 304.350 1.534 20 5 DDBDRO NC(=O)c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](O)C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000398673270 302360081 /nfs/dbraw/zinc/36/00/81/302360081.db2.gz FXZAOQHBAIJIHM-YUTCNCBUSA-N 1 0 319.361 1.287 20 5 DDBDRO C[C@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000356867663 306865740 /nfs/dbraw/zinc/86/57/40/306865740.db2.gz MUOZBMXCIJRVAA-NWDGAFQWSA-N 1 0 307.350 1.938 20 5 DDBDRO Cn1ccnc1[C@H]1C[NH2+]CCN1Cc1ccccc1[N+](=O)[O-] ZINC000261705440 303009984 /nfs/dbraw/zinc/00/99/84/303009984.db2.gz GRRKFJMOYARQIR-CQSZACIVSA-N 1 0 301.350 1.475 20 5 DDBDRO Cc1c(NC(=O)C(=O)NCCC[NH2+]C(C)C)cccc1[N+](=O)[O-] ZINC000556987652 303764632 /nfs/dbraw/zinc/76/46/32/303764632.db2.gz KLIDUNQFGZCYFA-UHFFFAOYSA-N 1 0 322.365 1.346 20 5 DDBDRO C[C@@H]1CCC[C@](CNC(=O)c2c[nH]nc2[N+](=O)[O-])([NH+](C)C)C1 ZINC000558733674 303781695 /nfs/dbraw/zinc/78/16/95/303781695.db2.gz BQDWWKZYEMEBLK-YGRLFVJLSA-N 1 0 309.370 1.558 20 5 DDBDRO Cc1c(NC(=O)CC[N@H+]2C[C@H](C)[C@@H](CO)C2)cccc1[N+](=O)[O-] ZINC000362091391 307014143 /nfs/dbraw/zinc/01/41/43/307014143.db2.gz UQBLICXTDQIMAN-WCQYABFASA-N 1 0 321.377 1.792 20 5 DDBDRO CC(C)C[N@@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000364891094 307052595 /nfs/dbraw/zinc/05/25/95/307052595.db2.gz BPWVGGOURQYAAD-UHFFFAOYSA-N 1 0 320.393 1.981 20 5 DDBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)COc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000368610373 307106310 /nfs/dbraw/zinc/10/63/10/307106310.db2.gz FKZDBNQLPDBHIP-JHJVBQTASA-N 1 0 319.361 1.559 20 5 DDBDRO O=[N+]([O-])c1ccccc1OCC[NH+]1CCC(n2cncn2)CC1 ZINC000368846325 307111631 /nfs/dbraw/zinc/11/16/31/307111631.db2.gz PZBGPDJHCPYOOF-UHFFFAOYSA-N 1 0 317.349 1.902 20 5 DDBDRO O=C(NCCNc1ccccc1[N+](=O)[O-])[C@H]1C[C@@]12CC[NH2+]C2 ZINC000372499562 307168862 /nfs/dbraw/zinc/16/88/62/307168862.db2.gz BJGCUVSMWCGULR-IAQYHMDHSA-N 1 0 304.350 1.123 20 5 DDBDRO C[NH2+]CCCN(C)C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000424019079 307301186 /nfs/dbraw/zinc/30/11/86/307301186.db2.gz KVLDAXFATHUHFZ-UHFFFAOYSA-N 1 0 317.349 1.462 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]Cc2ccc(O)cc2)c1 ZINC000565476555 308031807 /nfs/dbraw/zinc/03/18/07/308031807.db2.gz KVGGRPQAYXHBSH-HNNXBMFYSA-N 1 0 318.329 1.830 20 5 DDBDRO C[C@]1(C[NH3+])CCN(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000566727668 308062106 /nfs/dbraw/zinc/06/21/06/308062106.db2.gz VFOVWBRXRKWWRR-OAHLLOKOSA-N 1 0 322.365 1.354 20 5 DDBDRO O=C(COc1cccc([N+](=O)[O-])c1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000567344880 308078414 /nfs/dbraw/zinc/07/84/14/308078414.db2.gz IRSRIPLMGWDNRJ-INIZCTEOSA-N 1 0 319.361 1.576 20 5 DDBDRO COc1ccc(CC(=O)N2CC[NH2+][C@@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000567915696 308099510 /nfs/dbraw/zinc/09/95/10/308099510.db2.gz DOTVVMYDAKMFKQ-WDEREUQCSA-N 1 0 307.350 1.355 20 5 DDBDRO COc1ccc(CC(=O)N2CC[NH2+][C@@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000567915695 308099561 /nfs/dbraw/zinc/09/95/61/308099561.db2.gz DOTVVMYDAKMFKQ-QWRGUYRKSA-N 1 0 307.350 1.355 20 5 DDBDRO Cc1cc(S(=O)(=O)NCC2([NH3+])CCC2)c(C)cc1[N+](=O)[O-] ZINC000570175282 308162184 /nfs/dbraw/zinc/16/21/84/308162184.db2.gz BJGOFTMJGOZFKQ-UHFFFAOYSA-N 1 0 313.379 1.371 20 5 DDBDRO CNc1ccc(C(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)cc1[N+](=O)[O-] ZINC000571088228 308190110 /nfs/dbraw/zinc/19/01/10/308190110.db2.gz DLIJWSVEVVMDLH-INIZCTEOSA-N 1 0 318.377 1.852 20 5 DDBDRO C[C@H]1CN(CCN=c2[nH]c3ccc([N+](=O)[O-])cc3[nH]2)CCO1 ZINC000571627102 308198763 /nfs/dbraw/zinc/19/87/63/308198763.db2.gz UHUHWIMXFNCOPC-JTQLQIEISA-N 1 0 305.338 1.026 20 5 DDBDRO O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000575765049 308279027 /nfs/dbraw/zinc/27/90/27/308279027.db2.gz WYUWCKFFUXQSFX-ZJUUUORDSA-N 1 0 319.317 1.005 20 5 DDBDRO O=C(NCCC[C@@H]1CCC[NH2+]1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000576458423 308315799 /nfs/dbraw/zinc/31/57/99/308315799.db2.gz YJBSXLWVJJWNPH-JTQLQIEISA-N 1 0 321.333 1.586 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2C[C@H]2C2CCCCC2)c1 ZINC000580065047 308576899 /nfs/dbraw/zinc/57/68/99/308576899.db2.gz HIDVGWOQUCDNFW-ILXRZTDVSA-N 1 0 308.382 1.711 20 5 DDBDRO C[C@@H](NC(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1cccc([N+](=O)[O-])c1 ZINC001120661061 782081594 /nfs/dbraw/zinc/08/15/94/782081594.db2.gz ZTYNXCQWTXGHIQ-QEGRKFQGSA-N 1 0 304.350 1.848 20 5 DDBDRO [NH3+]CC[C@@H](NC(=O)c1c(Cl)cccc1[N+](=O)[O-])C(F)F ZINC000383463482 325749209 /nfs/dbraw/zinc/74/92/09/325749209.db2.gz KFFXQMORRXGWIE-SSDOTTSWSA-N 1 0 307.684 1.961 20 5 DDBDRO C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000582902497 337213410 /nfs/dbraw/zinc/21/34/10/337213410.db2.gz LORDYUKTYCXPKJ-GMXVVIOVSA-N 1 0 319.365 1.001 20 5 DDBDRO COC(=O)c1cc(-c2nc(C3([NH3+])CCC3)no2)cc([N+](=O)[O-])c1 ZINC000414636294 533716446 /nfs/dbraw/zinc/71/64/46/533716446.db2.gz AQWJBRUYCJSKKO-UHFFFAOYSA-N 1 0 318.289 1.769 20 5 DDBDRO CC1(C)CCC[C@H](C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000563000860 484329326 /nfs/dbraw/zinc/32/93/26/484329326.db2.gz PJHTYJPBZZKJFR-JSGCOSHPSA-N 1 0 310.398 1.958 20 5 DDBDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000445176533 533735247 /nfs/dbraw/zinc/73/52/47/533735247.db2.gz DYUWAPWWXPPCLI-GHMZBOCLSA-N 1 0 322.365 1.688 20 5 DDBDRO C[C@@H](O)[C@@H](CO)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000419796721 533791312 /nfs/dbraw/zinc/79/13/12/533791312.db2.gz PRVIOEKOLVPRSN-ZWNOBZJWSA-N 1 0 306.318 1.686 20 5 DDBDRO Cc1c(CC(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000422774090 533835831 /nfs/dbraw/zinc/83/58/31/533835831.db2.gz ZZNQMZOZPBATEB-JSGCOSHPSA-N 1 0 305.378 1.950 20 5 DDBDRO C[C@H](CCC[NH3+])NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000295176240 533868993 /nfs/dbraw/zinc/86/89/93/533868993.db2.gz GVQUYYJQUXWJQM-SNVBAGLBSA-N 1 0 318.337 1.033 20 5 DDBDRO C[C@H](O)CC[N@H+](C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000444180100 534061247 /nfs/dbraw/zinc/06/12/47/534061247.db2.gz FNZLAGDTGQHSLG-NSHDSACASA-N 1 0 323.349 1.596 20 5 DDBDRO C[C@@H]1OCC[C@@]1(C)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000494281660 534187891 /nfs/dbraw/zinc/18/78/91/534187891.db2.gz HAJYXKUYNADSQQ-SLEUVZQESA-N 1 0 310.350 1.492 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430920882 534339401 /nfs/dbraw/zinc/33/94/01/534339401.db2.gz QTDHAGXQUKMVOW-YPMHNXCESA-N 1 0 306.366 1.511 20 5 DDBDRO [NH3+]C1(CNC(=O)c2ccc([N+](=O)[O-])[nH]2)C2CC3CC(C2)CC1C3 ZINC000424032304 534548266 /nfs/dbraw/zinc/54/82/66/534548266.db2.gz CUHVPOXINBWHII-UHFFFAOYSA-N 1 0 318.377 1.806 20 5 DDBDRO [NH3+]CC[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)C(F)F ZINC000449622891 534640011 /nfs/dbraw/zinc/64/00/11/534640011.db2.gz KUZVWHDTBDAXFI-SNVBAGLBSA-N 1 0 321.711 1.889 20 5 DDBDRO [NH3+]C[C@@H](NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CC1 ZINC000418083291 534669503 /nfs/dbraw/zinc/66/95/03/534669503.db2.gz LEDZWWNYJCTZJS-GFCCVEGCSA-N 1 0 318.337 1.008 20 5 DDBDRO O=C(Nc1ccncc1[N+](=O)[O-])N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000332487628 534772221 /nfs/dbraw/zinc/77/22/21/534772221.db2.gz ZSELPHAJWTZTNT-NEPJUHHUSA-N 1 0 319.365 1.265 20 5 DDBDRO O=[N+]([O-])c1cccc(CS(=O)(=O)NCC[C@H]2CCC[NH2+]2)c1 ZINC000440809840 534885780 /nfs/dbraw/zinc/88/57/80/534885780.db2.gz NWPBFWKCQJOIIQ-GFCCVEGCSA-N 1 0 313.379 1.156 20 5 DDBDRO CCOc1cc(NC(=O)NCC[NH3+])c([N+](=O)[O-])cc1OCC ZINC000414761380 528319730 /nfs/dbraw/zinc/31/97/30/528319730.db2.gz SWMAKCVVOKDNGM-UHFFFAOYSA-N 1 0 312.326 1.472 20 5 DDBDRO C[NH+](C)C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000736759208 598828407 /nfs/dbraw/zinc/82/84/07/598828407.db2.gz PYOXCGCAMCJLSX-JTQLQIEISA-N 1 0 317.353 1.163 20 5 DDBDRO CC[NH+](CC)CCO[C@@H]1CCN(Cn2nccc2[N+](=O)[O-])C1 ZINC000747469643 700071991 /nfs/dbraw/zinc/07/19/91/700071991.db2.gz HGAODVRTTJWILL-CYBMUJFWSA-N 1 0 311.386 1.182 20 5 DDBDRO CN(CC[NH+]1CCCC1)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000103118080 696612882 /nfs/dbraw/zinc/61/28/82/696612882.db2.gz KBMSNQXEGNNOIF-UHFFFAOYSA-N 1 0 322.321 1.671 20 5 DDBDRO Cc1cc(Cl)c(S(=O)(=O)NC(C)(C)C[NH3+])cc1[N+](=O)[O-] ZINC000123736011 696734257 /nfs/dbraw/zinc/73/42/57/696734257.db2.gz LNRUIFJMUMYMAZ-UHFFFAOYSA-N 1 0 321.786 1.572 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)NCC[NH2+]C(C)(C)C)cc1[N+](=O)[O-] ZINC000174239453 697386231 /nfs/dbraw/zinc/38/62/31/697386231.db2.gz WXSXRSOKOJCGOU-UHFFFAOYSA-N 1 0 324.337 1.929 20 5 DDBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)NC[C@H]1CCC[NH2+]1 ZINC000178922023 697430991 /nfs/dbraw/zinc/43/09/91/697430991.db2.gz NZVRAEVGTNQAQR-SECBINFHSA-N 1 0 319.770 1.279 20 5 DDBDRO CC1(C)CN(c2ncc(Br)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000212779383 697751328 /nfs/dbraw/zinc/75/13/28/697751328.db2.gz NGGCVCCZAJLLSC-UHFFFAOYSA-N 1 0 315.171 1.941 20 5 DDBDRO O=C(CC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)N1CCCCC1 ZINC000749678299 700176476 /nfs/dbraw/zinc/17/64/76/700176476.db2.gz RDFHMZXFSCECDB-HNNXBMFYSA-N 1 0 321.377 1.620 20 5 DDBDRO CCn1cc(C[N@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000776275240 698090593 /nfs/dbraw/zinc/09/05/93/698090593.db2.gz GAHJCOXVCAIFJQ-OAHLLOKOSA-N 1 0 304.350 1.977 20 5 DDBDRO CCO[C@@H]1COCC[C@@H]1[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000776484391 698109600 /nfs/dbraw/zinc/10/96/00/698109600.db2.gz GIVFMAMRGXXSAR-RRFJBIMHSA-N 1 0 310.350 1.412 20 5 DDBDRO CCc1[nH]nc(C(=O)OCCC[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000800212279 700203929 /nfs/dbraw/zinc/20/39/29/700203929.db2.gz XDRQLXUTUQGYAH-UHFFFAOYSA-N 1 0 310.354 1.913 20 5 DDBDRO O=C(CC[N@H+]1C[C@@H]2C[C@]2(CO)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000782633750 698755827 /nfs/dbraw/zinc/75/58/27/698755827.db2.gz QCPMKODWIWVCLM-XHDPSFHLSA-N 1 0 305.334 1.238 20 5 DDBDRO O=C(C(F)F)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000989827918 698784695 /nfs/dbraw/zinc/78/46/95/698784695.db2.gz HKMGFUYSVBPCOK-UHFFFAOYSA-N 1 0 313.304 1.941 20 5 DDBDRO C[C@H]1CC[C@@H]1[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000783252217 698825770 /nfs/dbraw/zinc/82/57/70/698825770.db2.gz OGFJDAAQFMYAJM-QWRGUYRKSA-N 1 0 313.379 1.261 20 5 DDBDRO COc1cc(C(=O)NCC[N@@H+]2CCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000783918778 698892487 /nfs/dbraw/zinc/89/24/87/698892487.db2.gz LVVCVCXTKRQZSF-LLVKDONJSA-N 1 0 307.350 1.818 20 5 DDBDRO CN(C(=O)c1cc([N+](=O)[O-])ccc1N)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000786949630 699181967 /nfs/dbraw/zinc/18/19/67/699181967.db2.gz KLYVINAQOFKZSO-LBPRGKRZSA-N 1 0 304.350 1.486 20 5 DDBDRO CC(C)C[N@H+](C)CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000726589350 699369683 /nfs/dbraw/zinc/36/96/83/699369683.db2.gz WTHSAZOFNXPZSH-UHFFFAOYSA-N 1 0 320.349 1.909 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000729919533 699491651 /nfs/dbraw/zinc/49/16/51/699491651.db2.gz QEZYITLJKZKBFX-LLVKDONJSA-N 1 0 306.366 1.485 20 5 DDBDRO COCC[N@@H+]1CC[C@H](Nc2nc3ccccn3c2[N+](=O)[O-])C1 ZINC000730806822 699516330 /nfs/dbraw/zinc/51/63/30/699516330.db2.gz MNKGRPPDMQMJOS-NSHDSACASA-N 1 0 305.338 1.375 20 5 DDBDRO CN(C[C@@H]1CCC[N@H+](CC[N+](=O)[O-])C1)C(=O)OC(C)(C)C ZINC000791052055 699608886 /nfs/dbraw/zinc/60/88/86/699608886.db2.gz KKBYPSYKQSPQGV-LBPRGKRZSA-N 1 0 301.387 1.842 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CCOC(=O)c1ccc2c[nH+]cn2c1 ZINC000793127309 699734332 /nfs/dbraw/zinc/73/43/32/699734332.db2.gz QTIOQWKVHZNMRF-UHFFFAOYSA-N 1 0 315.289 1.604 20 5 DDBDRO COC(=O)C[C@@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000754524385 700508254 /nfs/dbraw/zinc/50/82/54/700508254.db2.gz XENFKZTZEBEGFN-GFCCVEGCSA-N 1 0 321.333 1.465 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H](CCO)C2CC2)c1 ZINC000771801346 701331331 /nfs/dbraw/zinc/33/13/31/701331331.db2.gz RUFSCFLRDGRNKN-HIFRSBDPSA-N 1 0 310.350 1.085 20 5 DDBDRO CC(C)[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C[C@@H]1CCC(=O)N1 ZINC000839670013 701774975 /nfs/dbraw/zinc/77/49/75/701774975.db2.gz REVCMAGDSHXZLG-DZGCQCFKSA-N 1 0 321.377 1.617 20 5 DDBDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000839682856 701782389 /nfs/dbraw/zinc/78/23/89/701782389.db2.gz ANUWQWHOPWDAFT-KBUPBQIOSA-N 1 0 309.410 1.765 20 5 DDBDRO Cc1ccc(CNC(=O)N[C@@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000868363821 702085042 /nfs/dbraw/zinc/08/50/42/702085042.db2.gz QUIIVXAYIMZSES-CYBMUJFWSA-N 1 0 306.366 1.797 20 5 DDBDRO C[N@@H+]1C[C@H]2CCN(C(=O)Cc3cccc(F)c3[N+](=O)[O-])[C@@H]2C1 ZINC000868519332 702173685 /nfs/dbraw/zinc/17/36/85/702173685.db2.gz AOSYIMLSSGVSQW-DGCLKSJQSA-N 1 0 307.325 1.439 20 5 DDBDRO Cc1cc(C(=O)N2CC[C@H]3C[N@@H+](C)C[C@@H]32)c(N)c([N+](=O)[O-])c1 ZINC000816949334 702233277 /nfs/dbraw/zinc/23/32/77/702233277.db2.gz TUIPTCMYZSUVIR-GWCFXTLKSA-N 1 0 304.350 1.262 20 5 DDBDRO C[C@@H](C[NH3+])NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000841162667 702372154 /nfs/dbraw/zinc/37/21/54/702372154.db2.gz ZYKVUADMTIIMFN-LURJTMIESA-N 1 0 317.143 1.826 20 5 DDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000813635679 702388100 /nfs/dbraw/zinc/38/81/00/702388100.db2.gz BOYYUGPEEXVCTC-MRXNPFEDSA-N 1 0 318.377 1.486 20 5 DDBDRO CN(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[C@@H](C[NH3+])C1CC1 ZINC000818003041 702550036 /nfs/dbraw/zinc/55/00/36/702550036.db2.gz NQZOPYPYUQVZGH-LBPRGKRZSA-N 1 0 308.294 1.312 20 5 DDBDRO Cc1cc(Cl)c(S(=O)(=O)N[C@H](C)[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000842881672 702786557 /nfs/dbraw/zinc/78/65/57/702786557.db2.gz LNGTULUUJPQNIK-HTQZYQBOSA-N 1 0 321.786 1.571 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@@H](O)Cc2ccccc2)c1 ZINC000843072074 702813394 /nfs/dbraw/zinc/81/33/94/702813394.db2.gz SYUKHSXFNMCOGR-DLBZAZTESA-N 1 0 316.357 1.821 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H](CO)Cc2ccncc2)c1 ZINC000843110875 702821000 /nfs/dbraw/zinc/82/10/00/702821000.db2.gz OTAHYSSODHHPJC-GOEBONIOSA-N 1 0 317.345 1.216 20 5 DDBDRO CN(CCC[NH3+])CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000843350933 702864337 /nfs/dbraw/zinc/86/43/37/702864337.db2.gz BSQJFZQSEJAUEV-UHFFFAOYSA-N 1 0 300.746 1.467 20 5 DDBDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000843355272 702865356 /nfs/dbraw/zinc/86/53/56/702865356.db2.gz YAUCEPQEAUXMEY-NSHDSACASA-N 1 0 322.321 1.635 20 5 DDBDRO O=C(CO[C@@H]1CCC[NH2+]C1)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000843486470 702891385 /nfs/dbraw/zinc/89/13/85/702891385.db2.gz SSLDMLXXBDLVMF-SNVBAGLBSA-N 1 0 319.321 1.178 20 5 DDBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879533663 706711163 /nfs/dbraw/zinc/71/11/63/706711163.db2.gz IOJLESWFFJSPPJ-ZMLRMANQSA-N 1 0 303.318 1.202 20 5 DDBDRO C[C@@H](CO)C1CC[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000844417152 703028560 /nfs/dbraw/zinc/02/85/60/703028560.db2.gz SGDMYDVTKVHEOD-BLLLJJGKSA-N 1 0 308.378 1.969 20 5 DDBDRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000848294119 703537000 /nfs/dbraw/zinc/53/70/00/703537000.db2.gz CTXZHNMPYJPUSD-GDLCADMTSA-N 1 0 307.350 1.085 20 5 DDBDRO O=C1O[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)CN1C1CC1 ZINC000848576850 703564213 /nfs/dbraw/zinc/56/42/13/703564213.db2.gz DABHPJQVZRPGCH-GFCCVEGCSA-N 1 0 309.297 1.807 20 5 DDBDRO COC(CC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1)OC ZINC000851724072 703837274 /nfs/dbraw/zinc/83/72/74/703837274.db2.gz QGRRFWXGGOVNIS-UHFFFAOYSA-N 1 0 309.366 1.726 20 5 DDBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NCC1C[NH2+]C1 ZINC000818565709 703927674 /nfs/dbraw/zinc/92/76/74/703927674.db2.gz KCUINVWKLXTZOJ-UHFFFAOYSA-N 1 0 301.705 1.265 20 5 DDBDRO COC(CC[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1)OC ZINC000852152219 703946841 /nfs/dbraw/zinc/94/68/41/703946841.db2.gz UQJCGEOKDQSBCL-UHFFFAOYSA-N 1 0 310.354 1.121 20 5 DDBDRO O=C(C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)N1CCCCC1 ZINC000819012589 704051647 /nfs/dbraw/zinc/05/16/47/704051647.db2.gz LNCAQLLTOAHFFJ-CQSZACIVSA-N 1 0 307.350 1.230 20 5 DDBDRO CC(C)(C)[S@@](=O)CC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819057010 704062189 /nfs/dbraw/zinc/06/21/89/704062189.db2.gz RHPMPASFLWGNLI-ASSNKEHSSA-N 1 0 314.407 1.765 20 5 DDBDRO C[C@H](CO[C@H]1CCOC1)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819147454 704076077 /nfs/dbraw/zinc/07/60/77/704076077.db2.gz HVXJGPHHFIWZOQ-BYCMXARLSA-N 1 0 310.350 1.412 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCCO[C@H]2CCOC2)c1 ZINC000819149063 704076338 /nfs/dbraw/zinc/07/63/38/704076338.db2.gz GLNJRLVAXTVMEB-LSDHHAIUSA-N 1 0 310.350 1.413 20 5 DDBDRO COC(=O)NC1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000852770483 704120142 /nfs/dbraw/zinc/12/01/42/704120142.db2.gz PUSAYUQWGCYWDB-UHFFFAOYSA-N 1 0 323.349 1.794 20 5 DDBDRO C[N@@H+]1C[C@@H]2CCCN(c3nc4ccccn4c3[N+](=O)[O-])[C@@H]2C1 ZINC000819953322 704192158 /nfs/dbraw/zinc/19/21/58/704192158.db2.gz OAXJPXLRJWAXJF-NWDGAFQWSA-N 1 0 301.350 1.773 20 5 DDBDRO O=C(N[C@H]1CC[NH2+]C1)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857763038 704621530 /nfs/dbraw/zinc/62/15/30/704621530.db2.gz MRWYMPAUOOVHMG-QMMMGPOBSA-N 1 0 301.249 1.045 20 5 DDBDRO C[NH2+]CCCNC(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857762818 704621658 /nfs/dbraw/zinc/62/16/58/704621658.db2.gz FBXQHZGSSFFASU-UHFFFAOYSA-N 1 0 303.265 1.292 20 5 DDBDRO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000867188239 706918851 /nfs/dbraw/zinc/91/88/51/706918851.db2.gz WEFPIJJBOZJQGQ-QWRGUYRKSA-N 1 0 309.341 1.827 20 5 DDBDRO CCN(CC[NH3+])S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C ZINC000858618501 704735450 /nfs/dbraw/zinc/73/54/50/704735450.db2.gz ATMBRYBPJUJAFH-UHFFFAOYSA-N 1 0 321.786 1.526 20 5 DDBDRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000874822362 705181790 /nfs/dbraw/zinc/18/17/90/705181790.db2.gz ARBBDDZLZGIVMT-ZIAGYGMSSA-N 1 0 321.352 1.972 20 5 DDBDRO COc1nccc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)n1 ZINC000824383574 705441281 /nfs/dbraw/zinc/44/12/81/705441281.db2.gz QDLNKQPUHOYCPY-UHFFFAOYSA-N 1 0 303.322 1.359 20 5 DDBDRO [NH3+]C[C@H]1CC[C@@H](NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000825196339 705622028 /nfs/dbraw/zinc/62/20/28/705622028.db2.gz DIXBYPHIXFPBDG-CMPLNLGQSA-N 1 0 317.349 1.188 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)n3cc([N+](=O)[O-])cn3)CC[C@H]21 ZINC000827328218 705976375 /nfs/dbraw/zinc/97/63/75/705976375.db2.gz DFQWIIHZFAYDNH-DGCLKSJQSA-N 1 0 321.381 1.079 20 5 DDBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@@H]2COC3(CCOCC3)O2)cc1 ZINC000877142010 705995291 /nfs/dbraw/zinc/99/52/91/705995291.db2.gz OWACVDBVDWQMAB-OAHLLOKOSA-N 1 0 322.361 1.649 20 5 DDBDRO Cc1nn(CCC(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)c(C)c1[N+](=O)[O-] ZINC000877281961 706047466 /nfs/dbraw/zinc/04/74/66/706047466.db2.gz ORSURGGAMQGQOH-QWHCGFSZSA-N 1 0 321.381 1.151 20 5 DDBDRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)c1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC000877379568 706087323 /nfs/dbraw/zinc/08/73/23/706087323.db2.gz KSXFQGAGAHTOOF-LKFCYVNXSA-N 1 0 309.753 1.930 20 5 DDBDRO CN(CCCCCC[NH3+])C(=O)COc1ccccc1[N+](=O)[O-] ZINC000877442020 706108343 /nfs/dbraw/zinc/10/83/43/706108343.db2.gz SQYYROPIIKZZBV-UHFFFAOYSA-N 1 0 309.366 1.951 20 5 DDBDRO C[C@@H]([NH3+])CN(C)C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000864617037 706214376 /nfs/dbraw/zinc/21/43/76/706214376.db2.gz PGPQOQPTFYCFTM-MRVPVSSYSA-N 1 0 303.265 1.372 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@H](c2ccnn2C)C1 ZINC000877976683 706256080 /nfs/dbraw/zinc/25/60/80/706256080.db2.gz YAJUFZGHYKAIBB-CYBMUJFWSA-N 1 0 318.381 1.713 20 5 DDBDRO CCC(=O)c1ccc(N2CCN(CCO)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000829576234 706359781 /nfs/dbraw/zinc/35/97/81/706359781.db2.gz BUDGZAUAYZJANO-GFCCVEGCSA-N 1 0 321.377 1.690 20 5 DDBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000830015877 706438042 /nfs/dbraw/zinc/43/80/42/706438042.db2.gz GFDYBIMLQOTUNX-LKFCYVNXSA-N 1 0 307.325 1.946 20 5 DDBDRO C[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCN2CCO[C@H]1C2 ZINC000830292901 706491369 /nfs/dbraw/zinc/49/13/69/706491369.db2.gz UENYDHHNEJPHFK-JYJNAYRXSA-N 1 0 321.377 1.033 20 5 DDBDRO CCn1nc(C)c([N+](=O)[O-])c1N[C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000865999066 706589957 /nfs/dbraw/zinc/58/99/57/706589957.db2.gz XMGPYIWADCELKA-NSHDSACASA-N 1 0 311.386 1.377 20 5 DDBDRO CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000832071667 706837518 /nfs/dbraw/zinc/83/75/18/706837518.db2.gz KBHXNODTVFAHTF-ILXRZTDVSA-N 1 0 322.361 1.950 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2C[C@@H]3C[C@H]2CN3c2ccccc2)c1 ZINC000880189959 706905979 /nfs/dbraw/zinc/90/59/79/706905979.db2.gz LPCUIXNUDORRFR-GJZGRUSLSA-N 1 0 313.361 1.754 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@H]1CCOC[C@H]1OC ZINC000880425995 706970255 /nfs/dbraw/zinc/97/02/55/706970255.db2.gz RFROUJYYEIGOJR-DZGCQCFKSA-N 1 0 310.350 1.839 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CCC3(CC2)COCCO3)c1 ZINC000880545336 707012164 /nfs/dbraw/zinc/01/21/64/707012164.db2.gz ANFGMLJGEGPJSM-HNNXBMFYSA-N 1 0 322.361 1.510 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(F)c([N+](=O)[O-])cc3F)C[C@@H]21 ZINC000834310662 707027804 /nfs/dbraw/zinc/02/78/04/707027804.db2.gz SKMKRWRHCBFOLS-OQPBUACISA-N 1 0 311.288 1.649 20 5 DDBDRO O=C(N[C@@H]1C[NH2+]CCC1(F)F)c1cc([N+](=O)[O-])ccc1Cl ZINC000834841232 707135389 /nfs/dbraw/zinc/13/53/89/707135389.db2.gz LCXJKVZQHMFJOL-SNVBAGLBSA-N 1 0 319.695 1.975 20 5 DDBDRO [NH3+]CCSCc1cn(Cc2ccc([N+](=O)[O-])c(F)c2)nn1 ZINC000881213889 707155586 /nfs/dbraw/zinc/15/55/86/707155586.db2.gz SLLTYVYBNFWRQT-UHFFFAOYSA-N 1 0 311.342 1.566 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)cc1 ZINC000872221759 707336035 /nfs/dbraw/zinc/33/60/35/707336035.db2.gz JOVBPUDUIHUXTE-GFBOILITSA-N 1 0 304.346 1.641 20 5 DDBDRO O=[N+]([O-])c1c(F)nccc1NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000882114135 707505020 /nfs/dbraw/zinc/50/50/20/707505020.db2.gz OMSUGPZQOWTOLM-NSHDSACASA-N 1 0 310.329 1.794 20 5 DDBDRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000872781504 707597916 /nfs/dbraw/zinc/59/79/16/707597916.db2.gz UQKWXPOCQJOZJA-GHMZBOCLSA-N 1 0 302.338 1.310 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000873297956 707802900 /nfs/dbraw/zinc/80/29/00/707802900.db2.gz HMJUMJBPQPKLCB-ZUZCIYMTSA-N 1 0 320.349 1.677 20 5 DDBDRO COC[C@H]1C[C@@H]([NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000883317318 707974009 /nfs/dbraw/zinc/97/40/09/707974009.db2.gz CCLFUDXTHVSJFW-KLPPZKSPSA-N 1 0 308.334 1.881 20 5 DDBDRO C[N@@H+]1C[C@@H]2CN(c3cc(N)c([N+](=O)[O-])c(CO)c3)C[C@]2(C)C1 ZINC000896912609 708181112 /nfs/dbraw/zinc/18/11/12/708181112.db2.gz ALXCRBIYGPCUAC-ABAIWWIYSA-N 1 0 306.366 1.057 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](CC[NH3+])C(F)F)c1C ZINC000884296592 708231062 /nfs/dbraw/zinc/23/10/62/708231062.db2.gz BANMMKYGHIUDEK-SECBINFHSA-N 1 0 301.293 1.924 20 5 DDBDRO COCC[C@@H]([NH3+])C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000884306571 708236223 /nfs/dbraw/zinc/23/62/23/708236223.db2.gz IEAGOWZMZWCNDV-CYBMUJFWSA-N 1 0 307.350 1.450 20 5 DDBDRO CC[N@H+](CCO)CCNC(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000897415827 708320256 /nfs/dbraw/zinc/32/02/56/708320256.db2.gz JVFDKFURMVEISP-UHFFFAOYSA-N 1 0 309.366 1.256 20 5 DDBDRO C[C@H](C[NH2+][C@@H]1CCCS(=O)(=O)C1)c1ccccc1[N+](=O)[O-] ZINC000897463970 708339947 /nfs/dbraw/zinc/33/99/47/708339947.db2.gz DKPKORRPFJNYHW-VXGBXAGGSA-N 1 0 312.391 1.865 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]3CC34CC(O)C4)CC2)cn1 ZINC000897843701 708467719 /nfs/dbraw/zinc/46/77/19/708467719.db2.gz GLKCRKGEHYDMPL-BBBYJDLNSA-N 1 0 318.377 1.462 20 5 DDBDRO O=[N+]([O-])c1ncccc1C[NH2+][C@H]1CCCC[C@@H]1N1CCOCC1 ZINC000886164353 708708659 /nfs/dbraw/zinc/70/86/59/708708659.db2.gz IWZWRHSLSMJUPA-GJZGRUSLSA-N 1 0 320.393 1.723 20 5 DDBDRO C[C@H]1COCC[N@@H+]1C1CCN(Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886212844 708716376 /nfs/dbraw/zinc/71/63/76/708716376.db2.gz GWRMCJKZERTTKF-ZDUSSCGKSA-N 1 0 320.393 1.675 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCN1CCNC1=O ZINC000886324334 708743150 /nfs/dbraw/zinc/74/31/50/708743150.db2.gz KIJYCEXLNGFKKE-UHFFFAOYSA-N 1 0 308.338 1.108 20 5 DDBDRO COc1c(C(=O)N2CCC([NH+]3CCC3)CC2)cccc1[N+](=O)[O-] ZINC000912873042 713112506 /nfs/dbraw/zinc/11/25/06/713112506.db2.gz GNWNKIDSDXQVAJ-UHFFFAOYSA-N 1 0 319.361 1.914 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC([NH+]2CCC2)CC1 ZINC000912883439 713113838 /nfs/dbraw/zinc/11/38/38/713113838.db2.gz CIJBQIQRZKRIEH-UHFFFAOYSA-N 1 0 319.361 1.914 20 5 DDBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000889778945 709631617 /nfs/dbraw/zinc/63/16/17/709631617.db2.gz CEBSESVAAWCXKD-LSDHHAIUSA-N 1 0 319.361 1.266 20 5 DDBDRO CC(C)(CCC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12)[N+](=O)[O-] ZINC000928084740 713122254 /nfs/dbraw/zinc/12/22/54/713122254.db2.gz XPRKLSFGLPZEPD-NWDGAFQWSA-N 1 0 315.439 1.518 20 5 DDBDRO C[NH+](C)C[C@H](O)CNc1c2cc(Cl)ccc2ncc1[N+](=O)[O-] ZINC000891745759 710282412 /nfs/dbraw/zinc/28/24/12/710282412.db2.gz MLMIKOBTQSUZLV-SNVBAGLBSA-N 1 0 324.768 1.553 20 5 DDBDRO Cc1c(CNC(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)cccc1[N+](=O)[O-] ZINC000891848840 710308793 /nfs/dbraw/zinc/30/87/93/710308793.db2.gz MJPMAZCCSJEOFQ-XJKSGUPXSA-N 1 0 318.377 1.654 20 5 DDBDRO COc1cc(C(=O)N[C@H]2CC[N@H+](C)[C@H]2C)c([N+](=O)[O-])cc1F ZINC000928431806 713192948 /nfs/dbraw/zinc/19/29/48/713192948.db2.gz HAPXCSUVRZWZBK-KWQFWETISA-N 1 0 311.313 1.565 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1NC1CC[NH+](Cc2cccnc2)CC1 ZINC000893519375 710687250 /nfs/dbraw/zinc/68/72/50/710687250.db2.gz KIOCWLLPOBKBPY-UHFFFAOYSA-N 1 0 316.365 1.800 20 5 DDBDRO C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC000911788006 710988487 /nfs/dbraw/zinc/98/84/87/710988487.db2.gz YSZJWUDAMFELRN-LSDHHAIUSA-N 1 0 303.362 1.909 20 5 DDBDRO Cn1cc(CN2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)c([N+](=O)[O-])n1 ZINC000903541336 711180075 /nfs/dbraw/zinc/18/00/75/711180075.db2.gz KZFUYALKEJWPLG-RKDXNWHRSA-N 1 0 307.276 1.040 20 5 DDBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@H](C)[C@H]1C[N@H+](C)CCN1C ZINC000895245597 711463419 /nfs/dbraw/zinc/46/34/19/711463419.db2.gz GOMIIKIAYJDLQL-ZYHUDNBSSA-N 1 0 310.402 1.166 20 5 DDBDRO O=C1C[C@@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CN1CC1CC1 ZINC000895718588 711587108 /nfs/dbraw/zinc/58/71/08/711587108.db2.gz ZDUPWIFFKDMESX-OTTFEQOBSA-N 1 0 319.365 1.095 20 5 DDBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2NC[C@H]1CC[N@@H+]1C ZINC000895768860 711600943 /nfs/dbraw/zinc/60/09/43/711600943.db2.gz JMSSXCJBCQFUFA-SNVBAGLBSA-N 1 0 302.334 1.690 20 5 DDBDRO C/C(=C/C(=O)NC12CC[NH+](CC1)C2)c1ccc([N+](=O)[O-])cc1 ZINC000913633221 713273189 /nfs/dbraw/zinc/27/31/89/713273189.db2.gz QLOFOCMJGCQHQM-BENRWUELSA-N 1 0 301.346 1.963 20 5 DDBDRO Cc1cc(OCC(=O)NC23CC[NH+](CC2)C3)ccc1[N+](=O)[O-] ZINC000913633457 713273193 /nfs/dbraw/zinc/27/31/93/713273193.db2.gz FRKYUGZEUNUEFS-UHFFFAOYSA-N 1 0 305.334 1.246 20 5 DDBDRO CC[C@H]([NH2+]CC[N+](=O)[O-])[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000905170610 711958270 /nfs/dbraw/zinc/95/82/70/711958270.db2.gz RBHWBQFOHKUCEV-HOTGVXAUSA-N 1 0 307.394 1.532 20 5 DDBDRO O=[N+]([O-])c1cccc(CC[NH2+]C[C@H](O)CCC2(O)CCC2)c1 ZINC000905192319 711964436 /nfs/dbraw/zinc/96/44/36/711964436.db2.gz ZEEHVWKZVAAZBH-OAHLLOKOSA-N 1 0 308.378 1.783 20 5 DDBDRO COC[C@H]1C[C@@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000905429211 712035576 /nfs/dbraw/zinc/03/55/76/712035576.db2.gz GSZGQJXSFXYWBD-XQQFMLRXSA-N 1 0 310.350 1.349 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@@H]2C=C[C@H]3C[C@@H]2CO3)cc1 ZINC000905572926 712082360 /nfs/dbraw/zinc/08/23/60/712082360.db2.gz ROSHWGVDDWIRTC-LQKXBSAESA-N 1 0 304.346 1.809 20 5 DDBDRO O=C(NC[C@@H]1CCCC[NH2+]1)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000906633015 712374763 /nfs/dbraw/zinc/37/47/63/712374763.db2.gz DAVNRKVWIAJUOJ-QEJZJMRPSA-N 1 0 303.362 1.957 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2Cc3cncn3C2)c1C ZINC000908759163 712849442 /nfs/dbraw/zinc/84/94/42/712849442.db2.gz ADEXPQVWQRAXLA-LLVKDONJSA-N 1 0 300.318 1.763 20 5 DDBDRO C[C@H](CN1C(=O)N[C@@H](C[NH+](C)C)C1=O)c1ccccc1[N+](=O)[O-] ZINC000928999994 713522704 /nfs/dbraw/zinc/52/27/04/713522704.db2.gz AFGVDBPSUDNFHG-PWSUYJOCSA-N 1 0 320.349 1.180 20 5 DDBDRO Cc1c(C(=O)N[C@H]2CCC[N@@H+](C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000918395281 713541526 /nfs/dbraw/zinc/54/15/26/713541526.db2.gz MWSPVBUXFGMYOE-JTQLQIEISA-N 1 0 322.321 1.635 20 5 DDBDRO O=[N+]([O-])c1cccc2c1CC[N@@H+](C[C@@H](O)C1(O)CCCC1)C2 ZINC000930100335 713756180 /nfs/dbraw/zinc/75/61/80/713756180.db2.gz SKNMWCJOYFOZAU-OAHLLOKOSA-N 1 0 306.362 1.619 20 5 DDBDRO C[NH+]1CCC2(CCN2C(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000930618687 713878863 /nfs/dbraw/zinc/87/88/63/713878863.db2.gz NAQBEPFJIVPFLM-UHFFFAOYSA-N 1 0 305.338 1.114 20 5 DDBDRO C[N@H+](CCNC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000930651588 713887424 /nfs/dbraw/zinc/88/74/24/713887424.db2.gz YVXJTMNOYPWJIS-GJZGRUSLSA-N 1 0 303.362 1.909 20 5 DDBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000931043577 713989467 /nfs/dbraw/zinc/98/94/67/713989467.db2.gz QQULNZKQEVDCKO-TZMCWYRMSA-N 1 0 320.393 1.948 20 5 DDBDRO COc1ccc(C[NH2+]CCOC2CCOCC2)cc1[N+](=O)[O-] ZINC000922934828 714191162 /nfs/dbraw/zinc/19/11/62/714191162.db2.gz WGMHRZBYAOCKAZ-UHFFFAOYSA-N 1 0 310.350 1.889 20 5 DDBDRO Cc1ccc(C[NH2+][C@H]2CCc3nnn(C)c3C2)cc1[N+](=O)[O-] ZINC000922995585 714207700 /nfs/dbraw/zinc/20/77/00/714207700.db2.gz BZZQSROLPPCDKP-LBPRGKRZSA-N 1 0 301.350 1.679 20 5 DDBDRO C[NH+](C)CCCOC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC000923005041 714211183 /nfs/dbraw/zinc/21/11/83/714211183.db2.gz LTTXTTIWCBONDA-UHFFFAOYSA-N 1 0 301.730 1.939 20 5 DDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCC1([NH+](C)C)CC1 ZINC000923013022 714213606 /nfs/dbraw/zinc/21/36/06/714213606.db2.gz QPLLEEUVPCGUKD-UHFFFAOYSA-N 1 0 306.366 1.830 20 5 DDBDRO CC1(C)C[NH2+]CCN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000923292782 714299690 /nfs/dbraw/zinc/29/96/90/714299690.db2.gz MLCUDUKVCOFSRU-LBPRGKRZSA-N 1 0 309.366 1.018 20 5 DDBDRO C[C@@H]1COC[C@H]1[NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000932486327 714343134 /nfs/dbraw/zinc/34/31/34/714343134.db2.gz CQJYRLDFYXUJJC-ZYHUDNBSSA-N 1 0 321.333 1.517 20 5 DDBDRO C[NH2+]CCN(C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C(C)C ZINC000923432559 714354100 /nfs/dbraw/zinc/35/41/00/714354100.db2.gz FQWFUGAXVVMZJV-CQSZACIVSA-N 1 0 311.382 1.264 20 5 DDBDRO CC(C)C[C@@H]1C[N@H+](C)CCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000933252499 714547571 /nfs/dbraw/zinc/54/75/71/714547571.db2.gz WZCZONOXYVYTPU-OAHLLOKOSA-N 1 0 322.409 1.419 20 5 DDBDRO CCn1cnc2c1CCN(C[C@H](O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000933258845 714548287 /nfs/dbraw/zinc/54/82/87/714548287.db2.gz MFRKEHIDQAZLJJ-INIZCTEOSA-N 1 0 316.361 1.903 20 5 DDBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1C(=O)N[C@H](C[NH+](C)C)C1=O ZINC000924528860 714604862 /nfs/dbraw/zinc/60/48/62/714604862.db2.gz JXSAHGVFMDWRHL-MWLCHTKSSA-N 1 0 306.322 1.138 20 5 DDBDRO O=C1NCCN1CC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000933590393 714626381 /nfs/dbraw/zinc/62/63/81/714626381.db2.gz WVRRQXIFNPOSJB-UHFFFAOYSA-N 1 0 318.377 1.832 20 5 DDBDRO COC(=O)C[C@H]([NH2+]CCn1c(C)ncc1[N+](=O)[O-])C(C)(C)C ZINC000934036706 714727904 /nfs/dbraw/zinc/72/79/04/714727904.db2.gz NORXIILABDAEOK-NSHDSACASA-N 1 0 312.370 1.667 20 5 DDBDRO O=[N+]([O-])c1cc(CN2CC[C@H]3[C@H]2CCC[N@H+]3CCO)cs1 ZINC000934258097 714777760 /nfs/dbraw/zinc/77/77/60/714777760.db2.gz PWLFCIIGQNUBOP-OLZOCXBDSA-N 1 0 311.407 1.687 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@H](Cc3nccs3)C2)c1 ZINC000934333746 714796930 /nfs/dbraw/zinc/79/69/30/714796930.db2.gz QVYVEUAYTZZXPY-LLVKDONJSA-N 1 0 307.379 1.812 20 5 DDBDRO Cc1ncc([N+](=O)[O-])c(N2CC3(C2)CC[N@H+](CC2CC2)C3)n1 ZINC001164774244 721286069 /nfs/dbraw/zinc/28/60/69/721286069.db2.gz YDXMAUJYSMMPTE-UHFFFAOYSA-N 1 0 303.366 1.615 20 5 DDBDRO Cc1nc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)sc1C ZINC001022063884 734368232 /nfs/dbraw/zinc/36/82/32/734368232.db2.gz NSSRMXONFGWAEN-WRWGMCAJSA-N 1 0 324.406 1.162 20 5 DDBDRO O=C(N[C@@H]1[C@H]2C[N@H+](CC3CCCCCC3)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025775849 736853391 /nfs/dbraw/zinc/85/33/91/736853391.db2.gz OGGWQCQAJADFSU-LJIZCISZSA-N 1 0 321.421 1.668 20 5 DDBDRO [NH3+]CCc1ccn(-c2nc(C3CC3)nc(Cl)c2[N+](=O)[O-])n1 ZINC001167727112 737151916 /nfs/dbraw/zinc/15/19/16/737151916.db2.gz VOUZFQDCGDBBEM-UHFFFAOYSA-N 1 0 308.729 1.603 20 5 DDBDRO COC(=O)c1cc(C)nc(N[C@H]2C[NH2+]CC[C@H]2F)c1[N+](=O)[O-] ZINC001168226592 741832381 /nfs/dbraw/zinc/83/23/81/741832381.db2.gz FMFWETQNJSELMA-ZJUUUORDSA-N 1 0 312.301 1.197 20 5 DDBDRO O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001122215814 745270933 /nfs/dbraw/zinc/27/09/33/745270933.db2.gz CLEGXJZTHVYWCU-VHSXEESVSA-N 1 0 309.753 1.930 20 5 DDBDRO O=C(NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccns1 ZINC001128501494 748168686 /nfs/dbraw/zinc/16/86/86/748168686.db2.gz BVMIKASNNSLDBC-UHFFFAOYSA-N 1 0 306.347 1.571 20 5 DDBDRO O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1ccns1 ZINC001128503850 748220419 /nfs/dbraw/zinc/22/04/19/748220419.db2.gz YHYXGSGWGJQHNU-UHFFFAOYSA-N 1 0 312.376 1.632 20 5 DDBDRO CC[NH+](CC)CC(=O)NCCCN(C)c1ccc([N+](=O)[O-])cn1 ZINC001095566976 750045817 /nfs/dbraw/zinc/04/58/17/750045817.db2.gz JYSXCPFVXSSBHG-UHFFFAOYSA-N 1 0 323.397 1.274 20 5 DDBDRO CN(CCCNC(=O)CCC[NH+](C)C)c1ccc([N+](=O)[O-])cn1 ZINC001095721487 750166231 /nfs/dbraw/zinc/16/62/31/750166231.db2.gz JWJYDYHUENKXMP-UHFFFAOYSA-N 1 0 323.397 1.274 20 5 DDBDRO O=C(CCc1c[nH]cn1)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001128986346 750687377 /nfs/dbraw/zinc/68/73/77/750687377.db2.gz SIQQUNOQQJAHQH-UHFFFAOYSA-N 1 0 317.349 1.157 20 5 DDBDRO C[NH+](C)[C@H]1CCCC[C@@H]1Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC001168596189 751271275 /nfs/dbraw/zinc/27/12/75/751271275.db2.gz FVGBWBDFCZXBSC-QWRGUYRKSA-N 1 0 307.354 1.373 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(-n3cccn3)nc2)C1 ZINC001168984881 762152183 /nfs/dbraw/zinc/15/21/83/762152183.db2.gz BCLXMCWQKYRIJC-TZMCWYRMSA-N 1 0 301.350 1.802 20 5 DDBDRO O=C(N1CCC[C@H]([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1)C(F)(F)F ZINC001168986898 762179844 /nfs/dbraw/zinc/17/98/44/762179844.db2.gz FYENBXLQQHWENO-MXWKQRLJSA-N 1 0 323.315 1.575 20 5 DDBDRO COc1cnc(NCc2ncn3c2C[NH2+]CCC3)cc1[N+](=O)[O-] ZINC001169240674 762305859 /nfs/dbraw/zinc/30/58/59/762305859.db2.gz MYXNVABSLREHBW-UHFFFAOYSA-N 1 0 318.337 1.300 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC(O)(C[NH+](C)C)CC1 ZINC000823683859 758342984 /nfs/dbraw/zinc/34/29/84/758342984.db2.gz FPICIUONRLWUEK-UHFFFAOYSA-N 1 0 321.377 1.432 20 5 DDBDRO CC(C)C[NH+]1CCC2(CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1 ZINC001040700296 762652559 /nfs/dbraw/zinc/65/25/59/762652559.db2.gz LMLGAUDOCJAEQA-ZIAGYGMSSA-N 1 0 309.410 1.622 20 5 DDBDRO Cc1cc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cs1 ZINC001086084563 760944851 /nfs/dbraw/zinc/94/48/51/760944851.db2.gz VWOWVDVOMRNJMQ-YXCITZCRSA-N 1 0 323.418 1.706 20 5 DDBDRO CC(C)OCC(=O)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001155389134 761104397 /nfs/dbraw/zinc/10/43/97/761104397.db2.gz DQTPRUJNYSRERC-UHFFFAOYSA-N 1 0 309.366 1.616 20 5 DDBDRO COc1ccc(C[C@@H](C)[NH2+]C2CN(C(C)=O)C2)c([N+](=O)[O-])c1 ZINC001170315906 766246460 /nfs/dbraw/zinc/24/64/60/766246460.db2.gz ZFFFUWMROWVBHA-SNVBAGLBSA-N 1 0 307.350 1.355 20 5 DDBDRO CC(C)(C)CN(c1cc([N+](=O)[O-])cc[n+]1[O-])C1CC[NH2+]CC1 ZINC001157883080 766978141 /nfs/dbraw/zinc/97/81/41/766978141.db2.gz JOVJZNFMZRPASO-UHFFFAOYSA-N 1 0 308.382 1.833 20 5 DDBDRO COc1nc(NCC(C)(C)C[NH+](C)C)nc(OC)c1[N+](=O)[O-] ZINC001157941718 767411202 /nfs/dbraw/zinc/41/12/02/767411202.db2.gz BDKJPIWHAWQZAU-UHFFFAOYSA-N 1 0 313.358 1.402 20 5 DDBDRO CCOC(=O)c1cc(NCCN(C)CC[NH3+])ccc1[N+](=O)[O-] ZINC001170504911 767626140 /nfs/dbraw/zinc/62/61/40/767626140.db2.gz PCSYSTOPXSOLBS-UHFFFAOYSA-N 1 0 310.354 1.074 20 5 DDBDRO CCc1n[nH]cc1C(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001130724633 767699847 /nfs/dbraw/zinc/69/98/47/767699847.db2.gz ZJNUGOXKNXDBHA-UHFFFAOYSA-N 1 0 323.378 1.461 20 5 DDBDRO Cc1n[nH]cc1C(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001132139252 768645493 /nfs/dbraw/zinc/64/54/93/768645493.db2.gz ZCSBJCRDXUGTLY-UHFFFAOYSA-N 1 0 303.322 1.146 20 5 DDBDRO Cc1cnn(C)c1C(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001132548149 768973691 /nfs/dbraw/zinc/97/36/91/768973691.db2.gz CVFJAFOHCDZYHW-UHFFFAOYSA-N 1 0 323.378 1.218 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)c(F)cnc2N[C@H]1C[NH2+]C[C@H]1CO ZINC001170773935 771193572 /nfs/dbraw/zinc/19/35/72/771193572.db2.gz KLRLASHWDSWOME-SDBXPKJASA-N 1 0 306.297 1.274 20 5 DDBDRO CCOC(=O)CN(CC[NH3+])c1cc([N+](=O)[O-])ccc1Cl ZINC001170994002 772040682 /nfs/dbraw/zinc/04/06/82/772040682.db2.gz IHYUWOQDYOTWBC-UHFFFAOYSA-N 1 0 301.730 1.576 20 5 DDBDRO CCC[N@H+](C)CCC(=O)NCCNc1ccc([N+](=O)[O-])c(C)n1 ZINC001093770679 775067047 /nfs/dbraw/zinc/06/70/47/775067047.db2.gz CSKWCVQUTXIXMV-UHFFFAOYSA-N 1 0 323.397 1.558 20 5 DDBDRO CC[N@H+](C)CCC(=O)NCCNc1cc(C)c([N+](=O)[O-])cn1 ZINC001093840670 775125967 /nfs/dbraw/zinc/12/59/67/775125967.db2.gz PGDHGKGWCMHRHM-UHFFFAOYSA-N 1 0 309.370 1.168 20 5 DDBDRO CN(CCNC(=O)CC[NH+](C)C)c1ccc([N+](=O)[O-])cc1F ZINC001100299613 775959494 /nfs/dbraw/zinc/95/94/94/775959494.db2.gz PFJLIOGSYPRMJE-UHFFFAOYSA-N 1 0 312.345 1.238 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])cc1Nc1nccnc1C[NH3+] ZINC001171447665 776000057 /nfs/dbraw/zinc/00/00/57/776000057.db2.gz KVCFRPRNTHBNPR-UHFFFAOYSA-N 1 0 303.278 1.374 20 5 DDBDRO CCC1(CC)CNC(=O)[C@@H]1[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001176451401 778152303 /nfs/dbraw/zinc/15/23/03/778152303.db2.gz BVNORIWTKUKFOB-KGLIPLIRSA-N 1 0 321.377 1.523 20 5 DDBDRO O=[N+]([O-])c1cccc(OCCN2CC[N@@H+]3C[C@@H](F)C[C@H]3C2)c1 ZINC001176776794 778235807 /nfs/dbraw/zinc/23/58/07/778235807.db2.gz AUIITABGHHAIKD-JSGCOSHPSA-N 1 0 309.341 1.702 20 5 DDBDRO O=C(Cn1ccnc1)NCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001177411330 778586661 /nfs/dbraw/zinc/58/66/61/778586661.db2.gz HSHKVUPDKOTXEW-UHFFFAOYSA-N 1 0 323.378 1.149 20 5 DDBDRO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001180119689 779628985 /nfs/dbraw/zinc/62/89/85/779628985.db2.gz SYWAJVPXCWFSEG-QMMMGPOBSA-N 1 0 317.777 1.677 20 5 DDBDRO C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC001116795033 780560393 /nfs/dbraw/zinc/56/03/93/780560393.db2.gz HKALMIWFCANDQI-MNOVXSKESA-N 1 0 308.338 1.298 20 5 DDBDRO O=C([C@H]1CCC[NH2+]CC1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001118272871 781080753 /nfs/dbraw/zinc/08/07/53/781080753.db2.gz LDDUCKIORUQGKK-ZDUSSCGKSA-N 1 0 303.362 1.869 20 5 DDBDRO COc1ccc(C(=O)N2CC[NH2+]CCC23CCC3)cc1[N+](=O)[O-] ZINC001119371988 781426544 /nfs/dbraw/zinc/42/65/44/781426544.db2.gz XSLSPUIFWGJAHR-UHFFFAOYSA-N 1 0 319.361 1.962 20 5 DDBDRO Cc1cncc([N+](=O)[O-])c1N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001119984889 781709117 /nfs/dbraw/zinc/70/91/17/781709117.db2.gz WZNLULNCDVLPPQ-OLZOCXBDSA-N 1 0 306.366 1.334 20 5 DDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC001326847323 861655435 /nfs/dbraw/zinc/65/54/35/861655435.db2.gz QSMDTBKBWMNRGA-BPNCWPANSA-N 1 0 318.377 1.836 20 5 DDBDRO [NH3+]Cc1ccnn1-c1cc([N+](=O)[O-])cc2c(Cl)ncnc21 ZINC001155130358 861759713 /nfs/dbraw/zinc/75/97/13/861759713.db2.gz MZNBZDHUXHTTMA-UHFFFAOYSA-N 1 0 304.697 1.836 20 5 DDBDRO CCOC(=O)[C@H]1C[NH2+]CCN1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC001326992037 861779808 /nfs/dbraw/zinc/77/98/08/861779808.db2.gz XGRINEMPCWCKHE-CQSZACIVSA-N 1 0 307.350 1.240 20 5 DDBDRO CC[C@@]1(C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)CC[NH2+]C1 ZINC001327106737 861891475 /nfs/dbraw/zinc/89/14/75/861891475.db2.gz GDGBOLAUSDAEOU-OAHLLOKOSA-N 1 0 321.381 1.345 20 5 DDBDRO O=[N+]([O-])c1cnc(Cl)cc1NCC[C@@H]1CCOC12C[NH2+]C2 ZINC001155468888 862120381 /nfs/dbraw/zinc/12/03/81/862120381.db2.gz FOYIZYRQSAGWNG-SECBINFHSA-N 1 0 312.757 1.824 20 5 DDBDRO COc1nc(NC[C@@H]2OC[C@H]3C[NH2+]CC[C@H]32)ccc1[N+](=O)[O-] ZINC001155522530 862186476 /nfs/dbraw/zinc/18/64/76/862186476.db2.gz GVBWFEWRNSXHTR-FOGDFJRCSA-N 1 0 308.338 1.035 20 5 DDBDRO O=C(NCC12CC(C1)C[NH2+]2)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001327501719 862218819 /nfs/dbraw/zinc/21/88/19/862218819.db2.gz ZURAZODPPYAKJN-UHFFFAOYSA-N 1 0 302.334 1.372 20 5 DDBDRO CCOc1nc(N[C@@H]2CCO[C@@]3(CC[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC001155620430 862300894 /nfs/dbraw/zinc/30/08/94/862300894.db2.gz LBLNUCUBPNRXDE-ABAIWWIYSA-N 1 0 322.365 1.712 20 5 DDBDRO O=[N+]([O-])c1ccc2ncc(N[C@H]3C[NH2+][C@@H]4CCO[C@@H]43)nc2c1 ZINC001155637657 862322836 /nfs/dbraw/zinc/32/28/36/862322836.db2.gz VTIZFUXQPCQLFA-OSMZGAPFSA-N 1 0 301.306 1.079 20 5 DDBDRO Cc1c[nH]cc1C(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001151026202 862583088 /nfs/dbraw/zinc/58/30/88/862583088.db2.gz WUJSHLCQUDISBM-UHFFFAOYSA-N 1 0 302.334 1.751 20 5 DDBDRO C[NH+](C)CC[C@@H](NC(=O)c1cc([N+](=O)[O-])c[nH]1)c1cccnc1 ZINC001156147332 862755181 /nfs/dbraw/zinc/75/51/81/862755181.db2.gz ICJWTHMEKAJYOR-CYBMUJFWSA-N 1 0 317.349 1.741 20 5 DDBDRO C[N@@H+]1CCCC[C@@H]1CNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC001122111976 858689039 /nfs/dbraw/zinc/68/90/39/858689039.db2.gz PWAOQURFPIUQHF-CQSZACIVSA-N 1 0 320.393 1.921 20 5 DDBDRO C[C@@H]1C[NH2+][C@@H](C)[C@@H](C)N1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC001122179330 858704445 /nfs/dbraw/zinc/70/44/45/858704445.db2.gz DAABOGCNVQUXJI-GRYCIOLGSA-N 1 0 307.350 1.571 20 5 DDBDRO C[C@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC[C@H]1C[NH3+] ZINC001122209997 858714464 /nfs/dbraw/zinc/71/44/64/858714464.db2.gz MNVXSTDVTDEMJN-JSGCOSHPSA-N 1 0 305.378 1.971 20 5 DDBDRO COc1ccc(OCCOC(=O)C[C@@H](O)C[N+](C)(C)C)cc1 ZINC001224416883 881380447 /nfs/dbraw/zinc/38/04/47/881380447.db2.gz WTSGWOVOZOBCEG-CYBMUJFWSA-N 1 0 312.386 1.074 20 5 DDBDRO CCOCCCC(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001123992517 859514865 /nfs/dbraw/zinc/51/48/65/859514865.db2.gz OMSLCABGJGSESQ-UHFFFAOYSA-N 1 0 309.366 1.617 20 5 DDBDRO Cc1cnn(CC(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)c1 ZINC001124282395 859667011 /nfs/dbraw/zinc/66/70/11/859667011.db2.gz UERGXQUNXUOFSA-UHFFFAOYSA-N 1 0 323.378 1.067 20 5 DDBDRO CCn1cc(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC001125011335 859870928 /nfs/dbraw/zinc/87/09/28/859870928.db2.gz UFNUCUHNMLFJRK-UHFFFAOYSA-N 1 0 317.349 1.331 20 5 DDBDRO O=C(NC[C@H]1CC[N@@H+]1C1CCCCCC1)c1cc([N+](=O)[O-])n[nH]1 ZINC001152052965 863134924 /nfs/dbraw/zinc/13/49/24/863134924.db2.gz KXPBCSXWNDWWLS-GFCCVEGCSA-N 1 0 321.381 1.845 20 5 DDBDRO Cc1ncc(C[NH3+])c(=N)n1-c1nccc2cc([N+](=O)[O-])ccc21 ZINC001156831029 863377020 /nfs/dbraw/zinc/37/70/20/863377020.db2.gz LSONPYJDAIEUND-UHFFFAOYSA-N 1 0 310.317 1.575 20 5 DDBDRO C[NH2+][C@H](C)CCNC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC001329484781 863692105 /nfs/dbraw/zinc/69/21/05/863692105.db2.gz WDXJKDPIBUMFNL-MRVPVSSYSA-N 1 0 310.310 1.539 20 5 DDBDRO CCOc1nc(N2C[C@H]3CCC[N@H+](C)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001157271747 863701338 /nfs/dbraw/zinc/70/13/38/863701338.db2.gz JEPFBZOOKHSRLO-DGCLKSJQSA-N 1 0 306.366 1.919 20 5 DDBDRO C[C@@H]1[C@H](C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CC[N@@H+]1C ZINC001329562580 863731874 /nfs/dbraw/zinc/73/18/74/863731874.db2.gz VIHQMWRTESEIKL-IAQYHMDHSA-N 1 0 303.362 1.820 20 5 DDBDRO Cc1cc([N+](=O)[O-])cnc1N(c1cnccn1)C1CC[NH2+]CC1 ZINC001157538182 863900404 /nfs/dbraw/zinc/90/04/04/863900404.db2.gz VZYGJCRZURIVRE-UHFFFAOYSA-N 1 0 314.349 1.978 20 5 DDBDRO CCOC(=O)CN(CCC[NH3+])c1cc([N+](=O)[O-])c2cc[nH]c2n1 ZINC001157549545 863912435 /nfs/dbraw/zinc/91/24/35/863912435.db2.gz LNDZYPXTMPTKQH-UHFFFAOYSA-N 1 0 321.337 1.189 20 5 DDBDRO CN(CC[N@H+](C)Cc1ccccc1)c1cc([N+](=O)[O-])cc[n+]1[O-] ZINC001157551582 863914583 /nfs/dbraw/zinc/91/45/83/863914583.db2.gz LHEMLVZZDOKVFG-UHFFFAOYSA-N 1 0 316.361 1.796 20 5 DDBDRO O=[N+]([O-])c1ccc(C(F)(F)N2C[C@@H]3C[NH2+][C@@H]3C2)nc1Cl ZINC001157620015 863981246 /nfs/dbraw/zinc/98/12/46/863981246.db2.gz WVECEQISUIQWMY-NKWVEPMBSA-N 1 0 304.684 1.596 20 5 DDBDRO O=C(NCCC[NH2+]C/C=C\c1ccccc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157761387 864111659 /nfs/dbraw/zinc/11/16/59/864111659.db2.gz QDNNXRARWMYTDP-JFCGUDLGSA-N 1 0 303.362 1.461 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc(Br)cc1 ZINC001225247762 881737931 /nfs/dbraw/zinc/73/79/31/881737931.db2.gz VTZKIZRCEYWIHV-LLVKDONJSA-N 1 0 317.203 1.812 20 5 DDBDRO Cc1nc(Cl)c([N+](=O)[O-])c(-n2cc3c(n2)CC[C@@H]([NH3+])C3)n1 ZINC001157980418 864326862 /nfs/dbraw/zinc/32/68/62/864326862.db2.gz VOHSMQCXSQPBOZ-MRVPVSSYSA-N 1 0 308.729 1.348 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N(CC[NH3+])c1cccnc1 ZINC001158000702 864347922 /nfs/dbraw/zinc/34/79/22/864347922.db2.gz ULDMDYCSCZPRSE-UHFFFAOYSA-N 1 0 317.305 1.268 20 5 DDBDRO CSc1nc(Cl)nc(N2C[C@@H](C)[NH2+][C@H](C)C2)c1[N+](=O)[O-] ZINC001158176886 864471504 /nfs/dbraw/zinc/47/15/04/864471504.db2.gz GUARZLSYGZLPAI-RNFRBKRXSA-N 1 0 317.802 1.947 20 5 DDBDRO CC1(C)CC[NH2+][C@H]1C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001330592025 864474690 /nfs/dbraw/zinc/47/46/90/864474690.db2.gz NGQBHZGGCJLPMU-AWEZNQCLSA-N 1 0 303.362 1.868 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CCO[C@@H](C[NH+]3CCCC3)C2)n1 ZINC001158309794 864566302 /nfs/dbraw/zinc/56/63/02/864566302.db2.gz UCJXKIGQPAOJBI-AWEZNQCLSA-N 1 0 320.393 1.908 20 5 DDBDRO Cc1ccnc(NCc2ncn3c2C[NH2+]CCC3)c1[N+](=O)[O-] ZINC001158356238 864600425 /nfs/dbraw/zinc/60/04/25/864600425.db2.gz OWXINTVWYYQCOT-UHFFFAOYSA-N 1 0 302.338 1.600 20 5 DDBDRO COC(=O)[C@@]12CC[NH2+][C@@H]1CN(c1nccc(C)c1[N+](=O)[O-])CC2 ZINC001158640653 864779343 /nfs/dbraw/zinc/77/93/43/864779343.db2.gz YDCHBVREPZTAGK-IAQYHMDHSA-N 1 0 320.349 1.030 20 5 DDBDRO [NH3+][C@H]1CN(c2nc(Cl)c(Cl)cc2[N+](=O)[O-])CC12COC2 ZINC001158762316 864885689 /nfs/dbraw/zinc/88/56/89/864885689.db2.gz MVDNNVKUZIBFCQ-QMMMGPOBSA-N 1 0 319.148 1.461 20 5 DDBDRO Cn1c(C(=O)N(CCC[NH3+])CC(F)(F)F)ccc1[N+](=O)[O-] ZINC001331350205 865025847 /nfs/dbraw/zinc/02/58/47/865025847.db2.gz IURGDLWDOCSDNW-UHFFFAOYSA-N 1 0 308.260 1.287 20 5 DDBDRO COc1cc(C)nc(-n2nnc3ccc(C[NH3+])cc32)c1[N+](=O)[O-] ZINC001159029419 865056206 /nfs/dbraw/zinc/05/62/06/865056206.db2.gz RSPIVLCMWZAMNJ-UHFFFAOYSA-N 1 0 314.305 1.499 20 5 DDBDRO CC[C@@]([NH3+])(CO)Nc1ncnc2cc(OC)c([N+](=O)[O-])cc21 ZINC001159743765 865498028 /nfs/dbraw/zinc/49/80/28/865498028.db2.gz LSONRFXOSIZGTM-ZDUSSCGKSA-N 1 0 307.310 1.016 20 5 DDBDRO Cn1cc(COC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)c([N+](=O)[O-])n1 ZINC001332271091 865713128 /nfs/dbraw/zinc/71/31/28/865713128.db2.gz QXDMZYAZBWVLDW-ZDUSSCGKSA-N 1 0 322.365 1.779 20 5 DDBDRO [NH3+]C[C@]1(Nc2cc(Cl)cc([N+](=O)[O-])n2)CN2CCC1CC2 ZINC001160512178 865896396 /nfs/dbraw/zinc/89/63/96/865896396.db2.gz SZXKPTIGOCSTGC-ZDUSSCGKSA-N 1 0 311.773 1.478 20 5 DDBDRO Cc1c(F)cnc(NCCCN2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC001161703477 866909280 /nfs/dbraw/zinc/90/92/80/866909280.db2.gz GAHBPMIYPCVDJK-UHFFFAOYSA-N 1 0 311.361 1.487 20 5 DDBDRO C[C@H]([NH3+])CC(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC001333731099 866970133 /nfs/dbraw/zinc/97/01/33/866970133.db2.gz ORRKMKXQBDFXDV-ZETCQYMHSA-N 1 0 316.155 1.711 20 5 DDBDRO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC001320750993 867001575 /nfs/dbraw/zinc/00/15/75/867001575.db2.gz RSJRIPIMPLOPSY-ZIAGYGMSSA-N 1 0 306.366 1.780 20 5 DDBDRO O=[N+]([O-])c1cnccc1-c1nc(-c2ccc3c(n2)CC[NH2+]C3)no1 ZINC001213036862 867121002 /nfs/dbraw/zinc/12/10/02/867121002.db2.gz MWICIINRLFRZEI-UHFFFAOYSA-N 1 0 324.300 1.748 20 5 DDBDRO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC001321047846 867260776 /nfs/dbraw/zinc/26/07/76/867260776.db2.gz AEOFCOMMVLIQFH-VXGBXAGGSA-N 1 0 307.354 1.175 20 5 DDBDRO [NH3+]Cc1nc2cnccc2n1-c1cc(Cl)cc([N+](=O)[O-])n1 ZINC001162214572 867344864 /nfs/dbraw/zinc/34/48/64/867344864.db2.gz KLWNMZSSGNGCKG-UHFFFAOYSA-N 1 0 304.697 1.836 20 5 DDBDRO CCOC(=O)c1c(C[NH3+])ncn1-c1cc(C)c([N+](=O)[O-])cn1 ZINC001162537803 867619689 /nfs/dbraw/zinc/61/96/89/867619689.db2.gz UMTMXFMMDQGNNH-UHFFFAOYSA-N 1 0 305.294 1.119 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccnc2c(F)cccc12 ZINC001225928387 882115259 /nfs/dbraw/zinc/11/52/59/882115259.db2.gz QMACBFOUAORWBN-LLVKDONJSA-N 1 0 307.345 1.737 20 5 DDBDRO Nc1ccnc(NC[C@@H]2CCC3(CC[NH2+]CC3)CO2)c1[N+](=O)[O-] ZINC001162957320 867946308 /nfs/dbraw/zinc/94/63/08/867946308.db2.gz KYIZASXSAWUKCO-NSHDSACASA-N 1 0 321.381 1.533 20 5 DDBDRO COC(=O)c1cc(C)nc(N[C@@]23CCC[C@@H]2[NH2+]CC3)c1[N+](=O)[O-] ZINC001162984629 867974023 /nfs/dbraw/zinc/97/40/23/867974023.db2.gz MQGCZCSRJIEOIT-XHDPSFHLSA-N 1 0 320.349 1.781 20 5 DDBDRO COc1nc(Nc2ccc([C@H](C[NH3+])CO)cc2)ncc1[N+](=O)[O-] ZINC001163049426 868035786 /nfs/dbraw/zinc/03/57/86/868035786.db2.gz AFXHRPDUEHDZRR-SNVBAGLBSA-N 1 0 319.321 1.172 20 5 DDBDRO O=[N+]([O-])c1cc2c(ncnc2N[C@@H]2COCCC23C[NH2+]C3)s1 ZINC001163073522 868056886 /nfs/dbraw/zinc/05/68/86/868056886.db2.gz LLVDXMJWMSWFDU-SECBINFHSA-N 1 0 321.362 1.390 20 5 DDBDRO O=[N+]([O-])c1cnc2ccc(N[C@@H]3COCCC34C[NH2+]C4)cn21 ZINC001163073495 868057407 /nfs/dbraw/zinc/05/74/07/868057407.db2.gz PIPOGXHEGPHIKA-LLVKDONJSA-N 1 0 303.322 1.033 20 5 DDBDRO COc1cc([N+](=O)[O-])c(NC[C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)cc1F ZINC001163106266 868104206 /nfs/dbraw/zinc/10/42/06/868104206.db2.gz YKBFXPMLTCCOLX-RFXMVYNHSA-N 1 0 311.313 1.389 20 5 DDBDRO O=[N+]([O-])c1c(NC[C@]23C[NH2+]C[C@H]2COC3)ccc2ncccc21 ZINC001163154427 868165362 /nfs/dbraw/zinc/16/53/62/868165362.db2.gz MGCUZYOIPKXEII-ZBEGNZNMSA-N 1 0 314.345 1.791 20 5 DDBDRO O=[N+]([O-])c1cc(NC[C@@H]2OC[C@H]3C[NH2+]CC[C@H]32)cn2ccnc12 ZINC001163173225 868188999 /nfs/dbraw/zinc/18/89/99/868188999.db2.gz YIXVMPBAFRCRIU-QKCSRTOESA-N 1 0 317.349 1.279 20 5 DDBDRO COC(=O)c1cnc(N(C(C)C)C(C)(C)C[NH3+])c([N+](=O)[O-])c1 ZINC001163186409 868197691 /nfs/dbraw/zinc/19/76/91/868197691.db2.gz CSEFVUHTCBJLEZ-UHFFFAOYSA-N 1 0 310.354 1.729 20 5 DDBDRO NC(=O)c1cc([N+](=O)[O-])cnc1N[C@@H]1C[NH2+]Cc2ccsc21 ZINC001163220735 868228016 /nfs/dbraw/zinc/22/80/16/868228016.db2.gz VAFYDASZFBAHPE-SNVBAGLBSA-N 1 0 319.346 1.407 20 5 DDBDRO Nc1cc([N+](=O)[O-])cnc1-n1cnc(-c2ccc(C[NH3+])cc2)c1 ZINC001163221517 868228756 /nfs/dbraw/zinc/22/87/56/868228756.db2.gz FOUZQWJXWBPQIE-UHFFFAOYSA-N 1 0 310.317 1.883 20 5 DDBDRO CN1CC[C@@H](C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1=O ZINC001335353913 868244426 /nfs/dbraw/zinc/24/44/26/868244426.db2.gz VMSJKWJWMMKQTI-RISCZKNCSA-N 1 0 307.350 1.086 20 5 DDBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CCC[C@@]12CC[NH2+]C2 ZINC001335405681 868275896 /nfs/dbraw/zinc/27/58/96/868275896.db2.gz AVSSEQITQHDUMF-INIZCTEOSA-N 1 0 318.377 1.675 20 5 DDBDRO O=[N+]([O-])c1c[nH]c2nc(N[C@@H]3CCO[C@]4(CC[NH2+]C4)C3)ccc12 ZINC001163305037 868328497 /nfs/dbraw/zinc/32/84/97/868328497.db2.gz KZPUMSNGKVGWIQ-MEBBXXQBSA-N 1 0 317.349 1.794 20 5 DDBDRO COc1nc(N[C@@H]2CCO[C@@]3(CC[NH2+]C3)C2)nc(C)c1[N+](=O)[O-] ZINC001163312900 868342381 /nfs/dbraw/zinc/34/23/81/868342381.db2.gz WHLXBTXBLZXRFA-YGRLFVJLSA-N 1 0 323.353 1.025 20 5 DDBDRO O=[N+]([O-])c1cnc2cccc(N[C@@H]3CCO[C@@]4(CC[NH2+]C4)C3)n21 ZINC001163333359 868364242 /nfs/dbraw/zinc/36/42/42/868364242.db2.gz RCXHHYGSIMFATC-ABAIWWIYSA-N 1 0 317.349 1.566 20 5 DDBDRO O=[N+]([O-])c1cccc2c(N[C@H]3C[NH2+][C@@H]4CCO[C@@H]43)ccnc21 ZINC001163343325 868374585 /nfs/dbraw/zinc/37/45/85/868374585.db2.gz VMVHSOUAQYBOTJ-XUJVJEKNSA-N 1 0 300.318 1.684 20 5 DDBDRO COc1ncc([N+](=O)[O-])c(N[C@H]2CCCC[C@@]23C[NH2+]CCO3)n1 ZINC001163646216 868590379 /nfs/dbraw/zinc/59/03/79/868590379.db2.gz MTWJAJXZZACVSE-SMDDNHRTSA-N 1 0 323.353 1.107 20 5 DDBDRO Cc1n[nH]cc1C(=O)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001163661329 868602133 /nfs/dbraw/zinc/60/21/33/868602133.db2.gz LFQBNIBEXCVRPK-UHFFFAOYSA-N 1 0 317.349 1.536 20 5 DDBDRO C[C@@H]1CC[C@@H](C[NH3+])CN1c1c(Cl)[n+]([O-])ccc1[N+](=O)[O-] ZINC001164468931 869214898 /nfs/dbraw/zinc/21/48/98/869214898.db2.gz UMILQFRRCKCTJZ-BDAKNGLRSA-N 1 0 300.746 1.445 20 5 DDBDRO O=C(NCCC1(C[NH2+]CC2CCCC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001164494536 869231320 /nfs/dbraw/zinc/23/13/20/869231320.db2.gz LEOIAWGNDDUVQA-ZIAGYGMSSA-N 1 0 309.410 1.718 20 5 DDBDRO CC[N@@H+]1CC[C@@H](Oc2ccc(CC(=O)OC)cc2[N+](=O)[O-])C1 ZINC001226213566 882284387 /nfs/dbraw/zinc/28/43/87/882284387.db2.gz DVSAKKVLQWEQQP-GFCCVEGCSA-N 1 0 308.334 1.783 20 5 DDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@H]1C[NH2+]CCC1(F)F ZINC001337112137 869328506 /nfs/dbraw/zinc/32/85/06/869328506.db2.gz GCNPQGULEOGACH-LLVKDONJSA-N 1 0 313.304 1.498 20 5 DDBDRO [NH3+][C@@H]1CN(C(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)C[C@@H]1F ZINC001165121787 869391841 /nfs/dbraw/zinc/39/18/41/869391841.db2.gz WPQZCQVIZJRBQQ-NKWVEPMBSA-N 1 0 310.663 1.674 20 5 DDBDRO C[NH+]1C[C@@H]2CN(c3nc(Cl)nc(Cl)c3[N+](=O)[O-])C[C@H]2C1 ZINC001165147396 869408204 /nfs/dbraw/zinc/40/82/04/869408204.db2.gz IWTDPYCZDHPWAM-RNFRBKRXSA-N 1 0 318.164 1.689 20 5 DDBDRO COc1nc(N2CCC3(CCCC[NH2+]3)CC2)ncc1[N+](=O)[O-] ZINC001165245607 869461970 /nfs/dbraw/zinc/46/19/70/869461970.db2.gz WQAFUQFXODOWFH-UHFFFAOYSA-N 1 0 307.354 1.506 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CCC3(CC([NH3+])C3)CC2)n1 ZINC001165245352 869462465 /nfs/dbraw/zinc/46/24/65/869462465.db2.gz HFRZGLKPEJSMJZ-UHFFFAOYSA-N 1 0 320.349 1.484 20 5 DDBDRO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3c(F)cccc3[N+](=O)[O-])[C@H]2C1 ZINC001338463882 869992912 /nfs/dbraw/zinc/99/29/12/869992912.db2.gz NPNWPZZTTRJZBA-NHCYSSNCSA-N 1 0 307.325 1.804 20 5 DDBDRO CCOC(=O)c1cnn2ccc(O[C@H](C)C[N+](C)(C)C)nc12 ZINC001226350846 882375685 /nfs/dbraw/zinc/37/56/85/882375685.db2.gz UOQKOQJTIZZHIR-LLVKDONJSA-N 1 0 307.374 1.380 20 5 DDBDRO C[C@H](CNC(=O)NCC12CC(C1)C[NH2+]2)c1ccccc1[N+](=O)[O-] ZINC001338653066 870097268 /nfs/dbraw/zinc/09/72/68/870097268.db2.gz CGSMADWYGQLFRH-OPGSHWCFSA-N 1 0 318.377 1.750 20 5 DDBDRO COC(=O)C1(Nc2cc(F)cc([N+](=O)[O-])c2C)CC[NH2+]CC1 ZINC001166947515 870406858 /nfs/dbraw/zinc/40/68/58/870406858.db2.gz LLCRVNXYBKBORP-UHFFFAOYSA-N 1 0 311.313 1.749 20 5 DDBDRO Cc1nc(Cl)nc(N2CC[C@@H]([NH3+])C(F)(F)C2)c1[N+](=O)[O-] ZINC001166960424 870423428 /nfs/dbraw/zinc/42/34/28/870423428.db2.gz PFTLQFFPDMEOGI-ZCFIWIBFSA-N 1 0 307.688 1.519 20 5 DDBDRO COCc1ccc(C[N@H+](C)CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC001317448359 870859611 /nfs/dbraw/zinc/85/96/11/870859611.db2.gz SFCFHZLBNOKIAB-HUUCEWRRSA-N 1 0 321.377 1.046 20 5 DDBDRO CC(C)N(CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1ccon1 ZINC001317685674 871408533 /nfs/dbraw/zinc/40/85/33/871408533.db2.gz AQZTVQTXHNDOJX-CHWSQXEVSA-N 1 0 310.354 1.057 20 5 DDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(C[NH2+]C/C=C/Cl)CC1 ZINC001205229355 871446513 /nfs/dbraw/zinc/44/65/13/871446513.db2.gz ALRZSBRSLFRRJV-IYODYBDTSA-N 1 0 301.774 1.232 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC001341090161 871497090 /nfs/dbraw/zinc/49/70/90/871497090.db2.gz NESFSRCQUXDPTE-CYBMUJFWSA-N 1 0 306.366 1.470 20 5 DDBDRO O=C(N[C@@H]1CCC[NH2+]CC1)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001341766298 871812755 /nfs/dbraw/zinc/81/27/55/871812755.db2.gz NLGWQZGGZKIBGT-BPLDGKMQSA-N 1 0 303.362 1.957 20 5 DDBDRO Cc1nn(C)c(C(=O)N2CCCC[C@@]23CCC[NH2+]C3)c1[N+](=O)[O-] ZINC001342142786 872032346 /nfs/dbraw/zinc/03/23/46/872032346.db2.gz YFAOMBBPWJERFP-HNNXBMFYSA-N 1 0 321.381 1.385 20 5 DDBDRO C[C@@H](CNC(=O)C[NH2+]C[C@H]1CCCO1)c1ccccc1[N+](=O)[O-] ZINC001342831680 872405217 /nfs/dbraw/zinc/40/52/17/872405217.db2.gz HQZXVIXHYLNQKL-QWHCGFSZSA-N 1 0 321.377 1.583 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC001342844646 872409623 /nfs/dbraw/zinc/40/96/23/872409623.db2.gz NZWFBGOLAVCFMI-HNNXBMFYSA-N 1 0 321.381 1.234 20 5 DDBDRO Cc1c(CNC(=O)CCSCCC[NH3+])cccc1[N+](=O)[O-] ZINC001343574625 872676406 /nfs/dbraw/zinc/67/64/06/872676406.db2.gz COJKCZKHPDNZQS-UHFFFAOYSA-N 1 0 311.407 1.992 20 5 DDBDRO O=C(NCC[C@H]1CSCC[NH2+]1)c1ccc([N+](=O)[O-])s1 ZINC001343713809 872730075 /nfs/dbraw/zinc/73/00/75/872730075.db2.gz LAIIKPPMKHVMRQ-QMMMGPOBSA-N 1 0 301.393 1.481 20 5 DDBDRO COCC1(C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)CC[NH2+]CC1 ZINC001344790460 873117611 /nfs/dbraw/zinc/11/76/11/873117611.db2.gz ZHPRTUNDXMQYPU-LBPRGKRZSA-N 1 0 321.377 1.788 20 5 DDBDRO C[NH2+][C@@H](C)CCNS(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC001346875304 873922539 /nfs/dbraw/zinc/92/25/39/873922539.db2.gz QNPNLSPLQIZLAT-NSHDSACASA-N 1 0 315.395 1.488 20 5 DDBDRO [NH3+][C@H]1CCC[C@H](NC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001348562461 874634701 /nfs/dbraw/zinc/63/47/01/874634701.db2.gz PGQWYZSOPHAXJX-STQMWFEESA-N 1 0 304.350 1.890 20 5 DDBDRO C[NH2+][C@H](C)CCNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001348562276 874634904 /nfs/dbraw/zinc/63/49/04/874634904.db2.gz OIRYUWGYTHKTIT-LLVKDONJSA-N 1 0 306.366 1.661 20 5 DDBDRO C[C@@H](C(=O)OCc1cn(C)nc1[N+](=O)[O-])[NH+]1[C@H](C)CC[C@H]1C ZINC001349972670 875483216 /nfs/dbraw/zinc/48/32/16/875483216.db2.gz WZADWBDAQNETCY-MXWKQRLJSA-N 1 0 310.354 1.633 20 5 DDBDRO Cn1c(CCC[N+](=O)[O-])nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001350549494 875752911 /nfs/dbraw/zinc/75/29/11/875752911.db2.gz MRMKMJLYUSYGRN-UHFFFAOYSA-N 1 0 324.429 1.335 20 5 DDBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC001350606269 875781602 /nfs/dbraw/zinc/78/16/02/875781602.db2.gz RJITZYHAESPYMA-NSHDSACASA-N 1 0 307.354 1.783 20 5 DDBDRO COC(=O)c1sc([N+](=O)[O-])cc1O[C@H](C)C[N+](C)(C)C ZINC001227542604 883071280 /nfs/dbraw/zinc/07/12/80/883071280.db2.gz BPBGVQZAELEWOQ-MRVPVSSYSA-N 1 0 303.360 1.916 20 5 DDBDRO Nc1cc2nc3ccccc3nc2cc1NC(=O)C[C@@H](O)C[NH3+] ZINC001218857709 877769400 /nfs/dbraw/zinc/76/94/00/877769400.db2.gz PPSYRIGJGCDVKA-SECBINFHSA-N 1 0 311.345 1.013 20 5 DDBDRO O=C(NCCCCCN1CC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC001358213640 880369877 /nfs/dbraw/zinc/36/98/77/880369877.db2.gz QRTWWCAEXXPPED-UHFFFAOYSA-N 1 0 320.393 1.400 20 5 DDBDRO CC(C)CC(=O)NCCCN(C)Cc1c([N+](=O)[O-])ncn1C ZINC001231309346 885492730 /nfs/dbraw/zinc/49/27/30/885492730.db2.gz HUYDXOULOAXOEY-UHFFFAOYSA-N 1 0 311.386 1.313 20 5 DDBDRO CC[N@@H+]1CCC[C@@H](Oc2ncc(C(=O)OC)cc2[N+](=O)[O-])C1 ZINC001233863727 887401100 /nfs/dbraw/zinc/40/11/00/887401100.db2.gz YUTQRSQOIYHHSR-LLVKDONJSA-N 1 0 309.322 1.640 20 5 DDBDRO COC(=O)c1ccc(OCC[N@H+]2CC[C@@H](OC)C2)cc1[N+](=O)[O-] ZINC001234056094 887598664 /nfs/dbraw/zinc/59/86/64/887598664.db2.gz CSPDCWRHZQDURF-GFCCVEGCSA-N 1 0 324.333 1.481 20 5 DDBDRO CCC(=O)c1cc(O)ccc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001234072984 887618985 /nfs/dbraw/zinc/61/89/85/887618985.db2.gz RVYFHTSXFIKTSC-GFCCVEGCSA-O 1 0 310.370 1.348 20 5 DDBDRO COC(=O)CCc1ccccc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001234347584 887889205 /nfs/dbraw/zinc/88/92/05/887889205.db2.gz SVCHWZSZYHBLMI-CQSZACIVSA-N 1 0 324.397 1.155 20 5 DDBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(O[C@@H]2C[NH+]3CCC2CC3)n1 ZINC001234908457 888245962 /nfs/dbraw/zinc/24/59/62/888245962.db2.gz FRCPIGAOSFSCBR-LLVKDONJSA-N 1 0 321.337 1.125 20 5 DDBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc(CO[C@H]2CCC[NH2+]C2)n1 ZINC001249152785 893845146 /nfs/dbraw/zinc/84/51/46/893845146.db2.gz BTAGLNYEUZDDLG-VIFPVBQESA-N 1 0 323.284 1.448 20 5 DDBDRO CC(C)(C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1)n1cc([N+](=O)[O-])cn1 ZINC001251498073 894713876 /nfs/dbraw/zinc/71/38/76/894713876.db2.gz GTJMBIYMTZQVNL-GFCCVEGCSA-N 1 0 321.381 1.223 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCn3ccnn3)CC2)cc1 ZINC001254464982 896454391 /nfs/dbraw/zinc/45/43/91/896454391.db2.gz PXGUVMYIVQWWHD-UHFFFAOYSA-N 1 0 316.365 1.445 20 5 DDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCc1c[nH][nH]c1=O ZINC001254536838 896491554 /nfs/dbraw/zinc/49/15/54/896491554.db2.gz UJTZEQDTZJSTBG-WCQYABFASA-N 1 0 304.350 1.627 20 5 DDBDRO COCC[NH+]1CCN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254592936 896520171 /nfs/dbraw/zinc/52/01/71/896520171.db2.gz HGOASBWURAMGOY-INIZCTEOSA-N 1 0 305.378 1.326 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH+]1CCC3(C[C@H](O)CO3)CC1)C2 ZINC001254592382 896522278 /nfs/dbraw/zinc/52/22/78/896522278.db2.gz CMIOJBHYEIGQPE-CVEARBPZSA-N 1 0 318.373 1.678 20 5 DDBDRO O=C1NC[C@@H]2CC[N@@H+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C[C@H]12 ZINC001254602094 896524383 /nfs/dbraw/zinc/52/43/83/896524383.db2.gz AYUIHCAFDWUGFH-CQDKDKBSSA-N 1 0 301.346 1.130 20 5 DDBDRO CC(=O)N1CCN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C[C@H]1C ZINC001254606851 896527624 /nfs/dbraw/zinc/52/76/24/896527624.db2.gz IQWMVIYCBAQFNT-BDJLRTHQSA-N 1 0 303.362 1.615 20 5 DDBDRO COc1cc(N2CCC([NH2+]CCCCO)CC2)ccc1[N+](=O)[O-] ZINC001256082023 897277683 /nfs/dbraw/zinc/27/76/83/897277683.db2.gz JEECZVWROVOGKH-UHFFFAOYSA-N 1 0 323.393 1.934 20 5 DDBDRO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)NCc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC001263074194 900481863 /nfs/dbraw/zinc/48/18/63/900481863.db2.gz ZQSAPGJGYPWFFI-MELADBBJSA-N 1 0 318.377 1.734 20 5 DDBDRO CN(C(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001263316082 900571530 /nfs/dbraw/zinc/57/15/30/900571530.db2.gz MRIXVDOOOMCZCE-FICVDOATSA-N 1 0 315.373 1.693 20 5 DDBDRO C[C@H]1C[C@@H](NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC[NH2+]1 ZINC000278284375 214067273 /nfs/dbraw/zinc/06/72/73/214067273.db2.gz QGOJKWJYNUSYAN-UWVGGRQHSA-N 1 0 311.313 1.369 20 5 DDBDRO O=C(CCn1cc([N+](=O)[O-])cn1)NCC1CC[NH+](C2CC2)CC1 ZINC000278294476 214071743 /nfs/dbraw/zinc/07/17/43/214071743.db2.gz AMFXDNQHTLSWFU-UHFFFAOYSA-N 1 0 321.381 1.172 20 5 DDBDRO C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CC[NH2+]1 ZINC000278292933 214072549 /nfs/dbraw/zinc/07/25/49/214072549.db2.gz RELFDSQEVRTRLE-QWRGUYRKSA-N 1 0 306.366 1.531 20 5 DDBDRO CNC(=O)CC[C@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000286540059 219043324 /nfs/dbraw/zinc/04/33/24/219043324.db2.gz RUSARBMIQOVBKN-GFCCVEGCSA-N 1 0 309.370 1.172 20 5 DDBDRO COc1ccc(OCC[N@@H+]2CC[C@H](C)[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000248969474 282122373 /nfs/dbraw/zinc/12/23/73/282122373.db2.gz SKIBTXCYIIUYPB-FZMZJTMJSA-N 1 0 310.350 1.685 20 5 DDBDRO C[C@@H](C[NH+]1CCN(C)CC1)Nc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278590844 214259416 /nfs/dbraw/zinc/25/94/16/214259416.db2.gz YWZGFEMHFIVVOZ-NSHDSACASA-N 1 0 318.381 1.519 20 5 DDBDRO CC[C@]1(O)CC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000614663074 361969958 /nfs/dbraw/zinc/96/99/58/361969958.db2.gz VRGZQSWUKOJGIO-HNNXBMFYSA-N 1 0 308.334 1.713 20 5 DDBDRO C[NH+](C)[C@H]1CCCN(C(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000277121474 282252871 /nfs/dbraw/zinc/25/28/71/282252871.db2.gz FMJLKKGFSRBXHR-ZDUSSCGKSA-N 1 0 320.393 1.949 20 5 DDBDRO COC[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C)C1CC1 ZINC000181573285 199320175 /nfs/dbraw/zinc/32/01/75/199320175.db2.gz WQOPRHBAVHMJKB-CQSZACIVSA-N 1 0 307.350 1.856 20 5 DDBDRO CN(CC(=O)N[C@@H]1CC[NH2+]CC1(C)C)c1ccccc1[N+](=O)[O-] ZINC000449707542 529836272 /nfs/dbraw/zinc/83/62/72/529836272.db2.gz RKGILKBWTGOOGM-CQSZACIVSA-N 1 0 320.393 1.535 20 5 DDBDRO CNC(=O)C[C@H](C)[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000449598700 529872866 /nfs/dbraw/zinc/87/28/66/529872866.db2.gz CVBJOMVFJSZQHK-WDEREUQCSA-N 1 0 322.365 1.426 20 5 DDBDRO C[NH2+]CCCN(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000420386805 529964542 /nfs/dbraw/zinc/96/45/42/529964542.db2.gz IWCPTRYXRPITHI-UHFFFAOYSA-N 1 0 314.773 1.728 20 5 DDBDRO C[NH2+]C[C@@H](C)CNC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000418369314 529982454 /nfs/dbraw/zinc/98/24/54/529982454.db2.gz NMFCUWHZARTFBD-LLVKDONJSA-N 1 0 322.365 1.354 20 5 DDBDRO C[N@@H+]1CCCC[C@@H]1C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000615873069 362473385 /nfs/dbraw/zinc/47/33/85/362473385.db2.gz RIVSSEKLGHGIIR-OAHLLOKOSA-N 1 0 319.361 1.669 20 5 DDBDRO COC(=O)COc1ccc(C[NH2+]C2CC=CC2)cc1[N+](=O)[O-] ZINC000616091203 362543384 /nfs/dbraw/zinc/54/33/84/362543384.db2.gz UUPJRDCIDOTPHY-UHFFFAOYSA-N 1 0 306.318 1.955 20 5 DDBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]CCOC(F)(F)F)OCCO2 ZINC000616094599 362544611 /nfs/dbraw/zinc/54/46/11/362544611.db2.gz XFGWQIXVOODWHO-UHFFFAOYSA-N 1 0 322.239 1.992 20 5 DDBDRO COC(=O)c1cnc(N2CCC[C@@H]([NH2+]C(C)C)C2)c([N+](=O)[O-])c1 ZINC000616176912 362574494 /nfs/dbraw/zinc/57/44/94/362574494.db2.gz IHTMOHYPGITZKJ-GFCCVEGCSA-N 1 0 322.365 1.743 20 5 DDBDRO Cc1ccc(S(=O)(=O)N[C@@H]2CC[NH2+][C@H](C)C2)cc1[N+](=O)[O-] ZINC000235368736 201915526 /nfs/dbraw/zinc/91/55/26/201915526.db2.gz URWFYEOWQBGWOY-GHMZBOCLSA-N 1 0 313.379 1.322 20 5 DDBDRO C[C@H](O)[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000272621872 210023433 /nfs/dbraw/zinc/02/34/33/210023433.db2.gz UVHHPDIMZDTJPU-RYUDHWBXSA-N 1 0 307.350 1.626 20 5 DDBDRO CCCC[C@H](C[NH3+])NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000150292316 186056215 /nfs/dbraw/zinc/05/62/15/186056215.db2.gz RUVQDPVXZVNDLS-LLVKDONJSA-N 1 0 315.395 1.699 20 5 DDBDRO C[N@H+](CCn1cccn1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181868746 186212936 /nfs/dbraw/zinc/21/29/36/186212936.db2.gz AOPHEOIMUYJGTD-CYBMUJFWSA-N 1 0 320.349 1.163 20 5 DDBDRO COc1cc(C(=O)NC[C@@H]2CCC[N@@H+]2C)cc([N+](=O)[O-])c1OC ZINC000265975348 186344557 /nfs/dbraw/zinc/34/45/57/186344557.db2.gz XBFJPTWTYRPIPH-NSHDSACASA-N 1 0 323.349 1.436 20 5 DDBDRO CCOCC(C)(C)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000293299109 186655023 /nfs/dbraw/zinc/65/50/23/186655023.db2.gz PHSRBZCZGRMVEB-CYBMUJFWSA-N 1 0 312.366 1.739 20 5 DDBDRO Cc1nn(C)c(C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000172831565 198155497 /nfs/dbraw/zinc/15/54/97/198155497.db2.gz OLTQPEBYUCUXOC-GFCCVEGCSA-N 1 0 323.397 1.583 20 5 DDBDRO O=C(NCCCC[NH+]1CCOCC1)c1csc([N+](=O)[O-])c1 ZINC000053450564 352656076 /nfs/dbraw/zinc/65/60/76/352656076.db2.gz MWFJTARRKJPKLY-UHFFFAOYSA-N 1 0 313.379 1.499 20 5 DDBDRO C[NH+](C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]1)Cc1ccccc1 ZINC000054462386 352692772 /nfs/dbraw/zinc/69/27/72/352692772.db2.gz IKVJLPVINPUSDB-CYBMUJFWSA-N 1 0 316.361 1.826 20 5 DDBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000057159662 352802348 /nfs/dbraw/zinc/80/23/48/352802348.db2.gz XIYBSZJHIJRCLO-LBPRGKRZSA-N 1 0 307.350 1.818 20 5 DDBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000491561347 234205022 /nfs/dbraw/zinc/20/50/22/234205022.db2.gz JRXKHSIFJNDSNL-SYAFZNNESA-N 1 0 301.346 1.961 20 5 DDBDRO C[NH+](C)CCn1cc(NC(=O)c2ccc([N+](=O)[O-])cc2F)cn1 ZINC000061634960 352892220 /nfs/dbraw/zinc/89/22/20/352892220.db2.gz KHXQCKJFOCRZQK-UHFFFAOYSA-N 1 0 321.312 1.744 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+](CCO)CC2CC2)c1 ZINC000064516646 352939923 /nfs/dbraw/zinc/93/99/23/352939923.db2.gz MAVGZPRZFQLEOU-CQSZACIVSA-N 1 0 310.350 1.039 20 5 DDBDRO CCC[NH+]1CCC(N(C)C(=O)Cn2cc([N+](=O)[O-])nc2C)CC1 ZINC000065876466 352966956 /nfs/dbraw/zinc/96/69/56/352966956.db2.gz UMLNEFAZHYZECF-UHFFFAOYSA-N 1 0 323.397 1.433 20 5 DDBDRO COC[C@@](C)(O)C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000069912493 353175812 /nfs/dbraw/zinc/17/58/12/353175812.db2.gz WMZFYFNAWVUQDY-ZDUSSCGKSA-N 1 0 320.292 1.683 20 5 DDBDRO C[C@@H](CC[NH+](C)C)NC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000069425915 353160910 /nfs/dbraw/zinc/16/09/10/353160910.db2.gz KZYKNEBMOHCDNO-LBPRGKRZSA-N 1 0 324.381 1.613 20 5 DDBDRO CC[C@H](C)[N@H+](C)CCNC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000069485737 353163095 /nfs/dbraw/zinc/16/30/95/353163095.db2.gz DCMQZXFWQYRQAG-LBPRGKRZSA-N 1 0 323.393 1.992 20 5 DDBDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000069528738 353166293 /nfs/dbraw/zinc/16/62/93/353166293.db2.gz BBBAJQHDBJYMDE-CQSZACIVSA-N 1 0 321.377 1.364 20 5 DDBDRO COCCC[N@H+](C)CCNC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000173917226 198268179 /nfs/dbraw/zinc/26/81/79/198268179.db2.gz FRVOXBCVSSZXSE-UHFFFAOYSA-N 1 0 309.366 1.601 20 5 DDBDRO C[NH+](C)C1(CNC(=O)c2csc([N+](=O)[O-])c2)CCOCC1 ZINC000073130945 353239599 /nfs/dbraw/zinc/23/95/99/353239599.db2.gz SFRBWGRJWYZOCG-UHFFFAOYSA-N 1 0 313.379 1.497 20 5 DDBDRO CCc1nn(C)c(N[C@@H]2CCC[N@H+](CCOC)C2)c1[N+](=O)[O-] ZINC000094156437 353911667 /nfs/dbraw/zinc/91/16/67/353911667.db2.gz MQUVWEQQMSKBNE-LLVKDONJSA-N 1 0 311.386 1.413 20 5 DDBDRO CC(C)([NH3+])CCC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000320633086 354528065 /nfs/dbraw/zinc/52/80/65/354528065.db2.gz ZGAJRAXFSNKHSF-UHFFFAOYSA-N 1 0 321.381 1.156 20 5 DDBDRO CNc1ccc(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000320902355 354529898 /nfs/dbraw/zinc/52/98/98/354529898.db2.gz OIMZLUVEUPDCJB-ZDUSSCGKSA-N 1 0 318.377 1.947 20 5 DDBDRO CC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(OC)c2)CC[C@H]1[NH3+] ZINC000317487931 354511131 /nfs/dbraw/zinc/51/11/31/354511131.db2.gz DNRLRRFAOSZKSI-CMPLNLGQSA-N 1 0 307.350 1.803 20 5 DDBDRO C[C@H]1CCCN(CC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]1CC[NH3+] ZINC000404307951 354676111 /nfs/dbraw/zinc/67/61/11/354676111.db2.gz IYDBJMZNRLOARJ-JSGCOSHPSA-N 1 0 320.393 1.983 20 5 DDBDRO O=C(CC[C@H]1CCC[NH2+]1)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000494542653 235049011 /nfs/dbraw/zinc/04/90/11/235049011.db2.gz DCQREHBBWZZZEQ-GFCCVEGCSA-N 1 0 306.366 1.655 20 5 DDBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000590402687 355085470 /nfs/dbraw/zinc/08/54/70/355085470.db2.gz GOVXEUBSJQMBKX-TZMCWYRMSA-N 1 0 320.393 1.948 20 5 DDBDRO Cc1c(CC(=O)N2CC[C@@H]([NH+](C)C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000590403160 355085707 /nfs/dbraw/zinc/08/57/07/355085707.db2.gz IKUWSOQBYLQNRC-SWLSCSKDSA-N 1 0 305.378 1.997 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC2(COC(=O)N2)CC1 ZINC000495064260 235121982 /nfs/dbraw/zinc/12/19/82/235121982.db2.gz FCDMIDRUAUYLGO-UHFFFAOYSA-N 1 0 305.334 1.978 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)CCNc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000590776511 355176685 /nfs/dbraw/zinc/17/66/85/355176685.db2.gz FHNFWSAJSCLNIO-DOMZBBRYSA-N 1 0 318.377 1.559 20 5 DDBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CC[C@@H](O)[C@@H](CO)C2)cc1 ZINC000591054807 355238787 /nfs/dbraw/zinc/23/87/87/355238787.db2.gz DNSXFDCRCPXOCS-IUODEOHRSA-N 1 0 310.350 1.039 20 5 DDBDRO CC[C@H]1CN(C(=O)NCc2cccc([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000591348361 355294500 /nfs/dbraw/zinc/29/45/00/355294500.db2.gz XEVZUZHPGGONPB-JSGCOSHPSA-N 1 0 306.366 1.864 20 5 DDBDRO O=[N+]([O-])c1cc2c(ncnc2N2CC[C@@H]3CC[NH2+][C@H]3C2)s1 ZINC000591439846 355311094 /nfs/dbraw/zinc/31/10/94/355311094.db2.gz YSRKZLGGMKLGGH-WPRPVWTQSA-N 1 0 305.363 1.788 20 5 DDBDRO [NH3+][C@H]1CCCO[C@H]1C1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000591446055 355313057 /nfs/dbraw/zinc/31/30/57/355313057.db2.gz PSWDMIMHKXVKBM-JSGCOSHPSA-N 1 0 306.366 1.713 20 5 DDBDRO COc1ccc(NC(=O)NC[C@@H]2CCCC[NH2+]2)cc1[N+](=O)[O-] ZINC000591297612 355283590 /nfs/dbraw/zinc/28/35/90/355283590.db2.gz DYVFHBNCTDDKHA-NSHDSACASA-N 1 0 308.338 1.867 20 5 DDBDRO COC(=O)c1cc(NC(=O)NC[C@@H](C)[NH3+])c(C)c([N+](=O)[O-])c1 ZINC000591301854 355284888 /nfs/dbraw/zinc/28/48/88/355284888.db2.gz WOHVHHHBXIFRLZ-SSDOTTSWSA-N 1 0 310.310 1.159 20 5 DDBDRO C[C@H](C[C@@H]1CCCO1)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000591734394 355374701 /nfs/dbraw/zinc/37/47/01/355374701.db2.gz SMFZUNCPFFIDRV-RDBSUJKOSA-N 1 0 324.377 1.882 20 5 DDBDRO O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000591892237 355413794 /nfs/dbraw/zinc/41/37/94/355413794.db2.gz HKVFEEWOWGQGHJ-MFKMUULPSA-N 1 0 320.349 1.300 20 5 DDBDRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1c1c(F)cccc1[N+](=O)[O-] ZINC000591986928 355453659 /nfs/dbraw/zinc/45/36/59/355453659.db2.gz YVXWVNJMHRGESQ-SNVBAGLBSA-N 1 0 310.329 1.290 20 5 DDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CCOC2(CC[NH+](C)CC2)C1 ZINC000591991718 355455878 /nfs/dbraw/zinc/45/58/78/355455878.db2.gz LOPMNEJZQIBRHD-UHFFFAOYSA-N 1 0 323.397 1.421 20 5 DDBDRO O=[N+]([O-])c1cc2c(cc1CN1CC[C@H]3CC[NH2+][C@@H]3C1)OCCO2 ZINC000592432805 355582967 /nfs/dbraw/zinc/58/29/67/355582967.db2.gz UEWICQWKMHJZHH-DGCLKSJQSA-N 1 0 319.361 1.550 20 5 DDBDRO CC(C)[C@H]1[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC12CC=CC2 ZINC000592446778 355586762 /nfs/dbraw/zinc/58/67/62/355586762.db2.gz XCNPQBAADKEHJK-HUUCEWRRSA-N 1 0 320.393 1.829 20 5 DDBDRO CCC(CC)(C[NH3+])C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000592532641 355617543 /nfs/dbraw/zinc/61/75/43/355617543.db2.gz OUYWIIKEOJCQMF-UHFFFAOYSA-N 1 0 309.366 1.855 20 5 DDBDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000592543545 355622401 /nfs/dbraw/zinc/62/24/01/355622401.db2.gz FXUUTKBHRKHUGG-RKDXNWHRSA-N 1 0 307.306 1.323 20 5 DDBDRO CC[C@@H]1CN(C(=O)CNc2ccccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000592544648 355622409 /nfs/dbraw/zinc/62/24/09/355622409.db2.gz FAGKVGWVGSTBHL-VXGBXAGGSA-N 1 0 306.366 1.593 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@H](C)[C@@H]2CCOC2)c1 ZINC000593024623 355772682 /nfs/dbraw/zinc/77/26/82/355772682.db2.gz OVFWNASGSVDUHA-ZYHUDNBSSA-N 1 0 308.334 1.896 20 5 DDBDRO CC[N@@H+]1CCN(Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000593029175 355774167 /nfs/dbraw/zinc/77/41/67/355774167.db2.gz WGPZXEZSNRGWPK-LBPRGKRZSA-N 1 0 321.377 1.907 20 5 DDBDRO CC[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CCCOC1 ZINC000593070263 355786541 /nfs/dbraw/zinc/78/65/41/355786541.db2.gz VYTWCBRCFGPTNF-CABCVRRESA-N 1 0 324.377 1.835 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1CN1CCN(CC[NH+](C)C)C(=O)C1 ZINC000593655542 355955213 /nfs/dbraw/zinc/95/52/13/355955213.db2.gz QLBSLNIUCRODOD-UHFFFAOYSA-N 1 0 320.393 1.109 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000593903623 356049870 /nfs/dbraw/zinc/04/98/70/356049870.db2.gz IISLAMIOLZMUTA-UONOGXRCSA-N 1 0 319.361 1.750 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)n1 ZINC000593911648 356055601 /nfs/dbraw/zinc/05/56/01/356055601.db2.gz IEALFSROWORWRI-HZMBPMFUSA-N 1 0 307.354 1.012 20 5 DDBDRO [NH3+]CC1(CCNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000593914982 356057183 /nfs/dbraw/zinc/05/71/83/356057183.db2.gz RYWWPNMPHJMCED-UHFFFAOYSA-N 1 0 303.322 1.330 20 5 DDBDRO C[C@@H]1CCCN(C(=O)COc2ccc([N+](=O)[O-])cc2)[C@H]1CC[NH3+] ZINC000593915307 356057963 /nfs/dbraw/zinc/05/79/63/356057963.db2.gz IPQNVLBKHKROTM-DOMZBBRYSA-N 1 0 321.377 1.950 20 5 DDBDRO C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000594474971 356229394 /nfs/dbraw/zinc/22/93/94/356229394.db2.gz PMULHACZLUMDKU-KLPPZKSPSA-N 1 0 313.379 1.213 20 5 DDBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000594431289 356209601 /nfs/dbraw/zinc/20/96/01/356209601.db2.gz KYJQMRCWESOWKF-HOCLYGCPSA-N 1 0 303.362 1.643 20 5 DDBDRO O=[N+]([O-])c1ccc2c(ccnc2N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c1 ZINC000594603130 356261912 /nfs/dbraw/zinc/26/19/12/356261912.db2.gz KNMDSTPCNUHVEK-UONOGXRCSA-N 1 0 314.345 1.398 20 5 DDBDRO O=[N+]([O-])c1cc(O)ccc1-n1cc(C[C@@H]2CCC[NH2+]C2)nn1 ZINC000594652786 356275789 /nfs/dbraw/zinc/27/57/89/356275789.db2.gz OQPANERHGDVQKQ-JTQLQIEISA-N 1 0 303.322 1.423 20 5 DDBDRO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](C2CCOCC2)CC1 ZINC000081033843 192217206 /nfs/dbraw/zinc/21/72/06/192217206.db2.gz CYTNOJWLPVNQPL-UHFFFAOYSA-N 1 0 319.361 1.532 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CCC(=O)N(C)C1 ZINC000595006491 356371535 /nfs/dbraw/zinc/37/15/35/356371535.db2.gz ASWZQFOAJUTKNV-QWRGUYRKSA-N 1 0 307.350 1.875 20 5 DDBDRO O=C(c1ccc([N+](=O)[O-])cn1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000595222506 356411579 /nfs/dbraw/zinc/41/15/79/356411579.db2.gz KQQPWISMZOTMBY-CYBMUJFWSA-N 1 0 318.377 1.842 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NCC12CC(C1)C[NH2+]2 ZINC000595233475 356413814 /nfs/dbraw/zinc/41/38/14/356413814.db2.gz ODVWXOJIEZVTJZ-UHFFFAOYSA-N 1 0 306.322 1.477 20 5 DDBDRO [NH3+][C@@H]1CN(C(=O)CCNc2ccccc2[N+](=O)[O-])CC[C@H]1F ZINC000595260547 356423727 /nfs/dbraw/zinc/42/37/27/356423727.db2.gz CIIWIAYYGHOCAD-GHMZBOCLSA-N 1 0 310.329 1.295 20 5 DDBDRO Cc1noc(CN2CCC(C[NH+]3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000595296145 356437753 /nfs/dbraw/zinc/43/77/53/356437753.db2.gz JOKKFPWRDXDCPQ-UHFFFAOYSA-N 1 0 324.381 1.435 20 5 DDBDRO NC(=O)NC1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000081539588 192286340 /nfs/dbraw/zinc/28/63/40/192286340.db2.gz KHMUTBUVVGFPOF-UHFFFAOYSA-N 1 0 308.338 1.106 20 5 DDBDRO C[C@H](O)[C@H]1CCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000595767186 356644108 /nfs/dbraw/zinc/64/41/08/356644108.db2.gz WPDQIRKVYFZDSF-WCQYABFASA-N 1 0 307.350 1.769 20 5 DDBDRO COc1cccc(C(=O)N2CCn3cc(C)nc3C2)c1[N+](=O)[O-] ZINC000618241433 363540318 /nfs/dbraw/zinc/54/03/18/363540318.db2.gz IHHOHPXCZPMVOM-UHFFFAOYSA-N 1 0 316.317 1.764 20 5 DDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC[NH2+]CC2)cc1OC ZINC000237049933 202136788 /nfs/dbraw/zinc/13/67/88/202136788.db2.gz TUJZIPPBQPKDPJ-UHFFFAOYSA-N 1 0 323.349 1.438 20 5 DDBDRO COC(=O)[C@H]1C[C@@H]([N@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000595856719 356679053 /nfs/dbraw/zinc/67/90/53/356679053.db2.gz PZOVWVAINUUASK-TXEJJXNPSA-N 1 0 308.334 1.987 20 5 DDBDRO C[C@@H]1C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@]1(C)CO ZINC000595856990 356679775 /nfs/dbraw/zinc/67/97/75/356679775.db2.gz HERBBDFSXKPMRO-INWMFGNUSA-N 1 0 324.377 1.285 20 5 DDBDRO NC(=O)c1cc(NCCC[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000596060141 356756897 /nfs/dbraw/zinc/75/68/97/356756897.db2.gz CMRKXFAMLBQTRC-UHFFFAOYSA-N 1 0 306.366 1.982 20 5 DDBDRO C[C@@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1nccn1C ZINC000596071051 356762130 /nfs/dbraw/zinc/76/21/30/356762130.db2.gz WXGPLUSIMUMSOR-NEPJUHHUSA-N 1 0 320.349 1.419 20 5 DDBDRO NC(=O)c1cc(NCCCC[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000596076669 356764176 /nfs/dbraw/zinc/76/41/76/356764176.db2.gz JJPXFBCNGADVFO-UHFFFAOYSA-N 1 0 322.365 1.218 20 5 DDBDRO CC[N@H+](C)C[C@@H]1CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596143855 356790017 /nfs/dbraw/zinc/79/00/17/356790017.db2.gz WJUBMDGLWLXDTA-NSHDSACASA-N 1 0 306.366 1.472 20 5 DDBDRO CC(C)C[NH2+]C1(CO)CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000596252340 356833097 /nfs/dbraw/zinc/83/30/97/356833097.db2.gz CKSHLYQFMVOIRC-UHFFFAOYSA-N 1 0 308.382 1.567 20 5 DDBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2c2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596166793 356799462 /nfs/dbraw/zinc/79/94/62/356799462.db2.gz WQOGNJRHMGBWAQ-BXUZGUMPSA-N 1 0 318.377 1.614 20 5 DDBDRO NC(=O)c1cc(N2CCC([NH2+]C3CC3)CC2)ccc1[N+](=O)[O-] ZINC000596166984 356799475 /nfs/dbraw/zinc/79/94/75/356799475.db2.gz AEDONSYSWLZWEV-UHFFFAOYSA-N 1 0 304.350 1.415 20 5 DDBDRO Cc1cc(N2CCC(CO)([NH2+]CC(C)C)CC2)ncc1[N+](=O)[O-] ZINC000596252910 356833942 /nfs/dbraw/zinc/83/39/42/356833942.db2.gz NPLQWDVOLOGCKZ-UHFFFAOYSA-N 1 0 322.409 1.875 20 5 DDBDRO COC(=O)c1cc(NC(=O)C2([NH3+])CCCCC2)cc([N+](=O)[O-])c1 ZINC000237184749 202180183 /nfs/dbraw/zinc/18/01/83/202180183.db2.gz WDTGXANWTNPJOS-UHFFFAOYSA-N 1 0 321.333 1.982 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])c(N(CC[NH+](C)C)CC(=O)N(C)C)n1 ZINC000596462616 356888155 /nfs/dbraw/zinc/88/81/55/356888155.db2.gz MRQWIDIOHGXYMY-UHFFFAOYSA-N 1 0 323.397 1.063 20 5 DDBDRO Nc1c(F)c(NC2CC[NH+]([C@@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000596518811 356905009 /nfs/dbraw/zinc/90/50/09/356905009.db2.gz FSFVHEAODZEPCE-LLVKDONJSA-N 1 0 324.356 1.981 20 5 DDBDRO COc1cc(C(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000237231007 202198046 /nfs/dbraw/zinc/19/80/46/202198046.db2.gz QTJRBHMCBOSVQQ-ZYHUDNBSSA-N 1 0 307.350 1.945 20 5 DDBDRO Cc1ccc([C@H](C)NCc2nc(C[NH3+])cc(=O)[nH]2)cc1[N+](=O)[O-] ZINC000596651201 356942619 /nfs/dbraw/zinc/94/26/19/356942619.db2.gz BGIOSRCCYXVNSA-JTQLQIEISA-N 1 0 317.349 1.708 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@](O)(C[NH+](C)C)C2)c1 ZINC000597575217 357234449 /nfs/dbraw/zinc/23/44/49/357234449.db2.gz VDTJCCWLTCJSAM-MRXNPFEDSA-N 1 0 321.377 1.432 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CCC3(C2)CC[NH+](C)CC3)n1 ZINC000597668556 357276385 /nfs/dbraw/zinc/27/63/85/357276385.db2.gz XGWMLDPMEOHYHI-UHFFFAOYSA-N 1 0 321.381 1.369 20 5 DDBDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000597859577 357361139 /nfs/dbraw/zinc/36/11/39/357361139.db2.gz VFNYJBUBRWPORO-SNVBAGLBSA-N 1 0 324.356 1.919 20 5 DDBDRO CCN(C(=O)c1ccc(NC)c([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C)C1 ZINC000597943903 357392515 /nfs/dbraw/zinc/39/25/15/357392515.db2.gz ASTZXXGEDFTUMA-GFCCVEGCSA-N 1 0 306.366 1.803 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N(C)CC1C[NH+](C)C1 ZINC000598160370 357478010 /nfs/dbraw/zinc/47/80/10/357478010.db2.gz LMYBXSBHCDGZTR-UHFFFAOYSA-N 1 0 307.350 1.627 20 5 DDBDRO COC(=O)c1ccnc(N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000598589081 357643481 /nfs/dbraw/zinc/64/34/81/357643481.db2.gz CVUFVKBDWALIFM-RYUDHWBXSA-N 1 0 320.349 1.815 20 5 DDBDRO Cc1ccc(S(=O)(=O)N2CCC[NH2+]CC2)c(C)c1[N+](=O)[O-] ZINC000598716828 357702209 /nfs/dbraw/zinc/70/22/09/357702209.db2.gz SBIKENQLIDFWKU-UHFFFAOYSA-N 1 0 313.379 1.196 20 5 DDBDRO O=[N+]([O-])c1cnc(NCC[N@H+]2CC[C@@H](O)C2)c(C(F)(F)F)c1 ZINC000599176767 357840177 /nfs/dbraw/zinc/84/01/77/357840177.db2.gz XGBJSYLRPJWXDQ-SECBINFHSA-N 1 0 320.271 1.487 20 5 DDBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C[C@H]1C[C@@H](O)C1 ZINC000599674123 358019237 /nfs/dbraw/zinc/01/92/37/358019237.db2.gz YMWHOYNNBQAFQJ-TXEJJXNPSA-N 1 0 307.350 1.626 20 5 DDBDRO Cc1c(NC(=O)C(=O)N[C@H]2CC[C@H](C)[NH2+]C2)cccc1[N+](=O)[O-] ZINC000599895519 358076788 /nfs/dbraw/zinc/07/67/88/358076788.db2.gz GVDGPJCVWDGQJU-ONGXEEELSA-N 1 0 320.349 1.098 20 5 DDBDRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)CSc3ccc([N+](=O)[O-])cc3)C[C@@H]12 ZINC000185153064 199816592 /nfs/dbraw/zinc/81/65/92/199816592.db2.gz JGNMCQXSXSFUFS-ZLKJLUDKSA-N 1 0 321.402 1.883 20 5 DDBDRO C[N@@H+]1CCCC[C@H](CNC(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000600315467 358193976 /nfs/dbraw/zinc/19/39/76/358193976.db2.gz TVRDUTYDWMIBLM-LLVKDONJSA-N 1 0 306.366 1.639 20 5 DDBDRO CN(CC(=O)N1CCCC[C@@H]1C[NH3+])c1ccccc1[N+](=O)[O-] ZINC000237323196 202232222 /nfs/dbraw/zinc/23/22/22/202232222.db2.gz BKAOOMUJKOJREZ-GFCCVEGCSA-N 1 0 306.366 1.371 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000600536361 358250336 /nfs/dbraw/zinc/25/03/36/358250336.db2.gz SNTFYKWADJIZEK-CYBMUJFWSA-N 1 0 321.377 1.316 20 5 DDBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000237357092 202242857 /nfs/dbraw/zinc/24/28/57/202242857.db2.gz JTALIFABBADNAT-MNOVXSKESA-N 1 0 309.391 1.944 20 5 DDBDRO C[N@@H+]1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000600692045 358284425 /nfs/dbraw/zinc/28/44/25/358284425.db2.gz RUIWBKLHZNNGIE-JTQLQIEISA-N 1 0 321.333 1.190 20 5 DDBDRO C[NH2+]C1(CNC(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)CCC1 ZINC000600825405 358327039 /nfs/dbraw/zinc/32/70/39/358327039.db2.gz HASLAVQLUUKCRR-UHFFFAOYSA-N 1 0 307.350 1.784 20 5 DDBDRO Cc1ccc(NC(=O)c2cnn(CC[NH+](C)C)c2)cc1[N+](=O)[O-] ZINC000600884667 358337797 /nfs/dbraw/zinc/33/77/97/358337797.db2.gz YMTBXUOSJBUEQG-UHFFFAOYSA-N 1 0 317.349 1.914 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@](O)(C[NH+](C)C)C2)n1 ZINC000601189324 358439928 /nfs/dbraw/zinc/43/99/28/358439928.db2.gz PUOAXBSQYNCEOM-HNNXBMFYSA-N 1 0 308.382 1.500 20 5 DDBDRO Cc1c(C[NH2+]C[C@@H](O)C[C@@](C)(O)C2CC2)cccc1[N+](=O)[O-] ZINC000601963269 358755279 /nfs/dbraw/zinc/75/52/79/358755279.db2.gz DYWDRYMLMCEFFW-GOEBONIOSA-N 1 0 308.378 1.905 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000601971917 358759674 /nfs/dbraw/zinc/75/96/74/358759674.db2.gz XHDZVYCWKVBHNT-IYBDPMFKSA-N 1 0 303.362 1.975 20 5 DDBDRO C[NH+](C)[C@H]1C[C@@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)C1(C)C ZINC000602169738 358861099 /nfs/dbraw/zinc/86/10/99/358861099.db2.gz HAUWRNYJKXOEOR-NEPJUHHUSA-N 1 0 309.370 1.026 20 5 DDBDRO O=C(N[C@@H]1CCC[NH2+]C1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000602424991 358967641 /nfs/dbraw/zinc/96/76/41/358967641.db2.gz OBHUSGPMBNWSLA-CYBMUJFWSA-N 1 0 303.362 1.885 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@@H]3CCCOC3)CC2)cn1 ZINC000602518846 359023503 /nfs/dbraw/zinc/02/35/03/359023503.db2.gz QZBYYPREAXEXBX-ZDUSSCGKSA-N 1 0 320.393 1.975 20 5 DDBDRO COc1cc(C(=O)N2CC[NH2+]C[C@@H]2C(C)C)cc([N+](=O)[O-])c1C ZINC000602530931 359030547 /nfs/dbraw/zinc/03/05/47/359030547.db2.gz SQJYWJRXSOCXDO-CQSZACIVSA-N 1 0 321.377 1.982 20 5 DDBDRO Cn1cc(C[N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)c([N+](=O)[O-])n1 ZINC000602476908 359003592 /nfs/dbraw/zinc/00/35/92/359003592.db2.gz XTHGIVIPWASGJC-GFCCVEGCSA-N 1 0 321.381 1.163 20 5 DDBDRO Cn1cc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c([N+](=O)[O-])n1 ZINC000602484133 359010338 /nfs/dbraw/zinc/01/03/38/359010338.db2.gz HPIFYHOSWNSOLR-WFASDCNBSA-N 1 0 319.409 1.777 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCn3ccnc3)CC2)cn1 ZINC000602503319 359017213 /nfs/dbraw/zinc/01/72/13/359017213.db2.gz MDNHMHGEMRGEMW-UHFFFAOYSA-N 1 0 316.365 1.445 20 5 DDBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000602590943 359058983 /nfs/dbraw/zinc/05/89/83/359058983.db2.gz LVPJBYDKXZCDPW-TXEJJXNPSA-N 1 0 304.350 1.360 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@@H](c2ccncc2)C1 ZINC000602834591 359226234 /nfs/dbraw/zinc/22/62/34/359226234.db2.gz ULJGAACBBUHLQY-CQSZACIVSA-N 1 0 301.350 1.984 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H]1[C@H]1CCCOC1 ZINC000602851686 359239351 /nfs/dbraw/zinc/23/93/51/359239351.db2.gz CAFQMLHOOUUXRD-UONOGXRCSA-N 1 0 308.382 1.991 20 5 DDBDRO Cn1cc(C[NH2+][C@H]2CCCC[C@@H]2N2CCOCC2)c([N+](=O)[O-])n1 ZINC000602813888 359209442 /nfs/dbraw/zinc/20/94/42/359209442.db2.gz AKBASYCXCCPUAZ-KBPBESRZSA-N 1 0 323.397 1.061 20 5 DDBDRO CCOC(=O)C[C@@](C)([NH2+]Cc1cn(C)nc1[N+](=O)[O-])C(C)C ZINC000602818212 359213423 /nfs/dbraw/zinc/21/34/23/359213423.db2.gz LYFMXPQSCQSEIY-CQSZACIVSA-N 1 0 312.370 1.786 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@@H](C)OC2(CCOCC2)C1 ZINC000602823054 359217605 /nfs/dbraw/zinc/21/76/05/359217605.db2.gz VQPNNXBFFDUINY-GFCCVEGCSA-N 1 0 324.381 1.370 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CCN1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000602830513 359222301 /nfs/dbraw/zinc/22/23/01/359222301.db2.gz LXPKMLKGWOINCS-GXTWGEPZSA-N 1 0 307.398 1.658 20 5 DDBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1C[C@]2(C)C(=O)NC(=O)[C@@]2(C)C1 ZINC000602937111 359306898 /nfs/dbraw/zinc/30/68/98/359306898.db2.gz QIGDTKNJHJIJRX-UHNFBRDESA-N 1 0 317.345 1.640 20 5 DDBDRO CO[C@@H]1C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)[C@](C)(CO)C1 ZINC000602964441 359328114 /nfs/dbraw/zinc/32/81/14/359328114.db2.gz PNLVSYXNQSMROH-HOTGVXAUSA-N 1 0 324.377 1.835 20 5 DDBDRO C[N@@H+]1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)C[C@H]1C(C)(C)C ZINC000603143332 359432352 /nfs/dbraw/zinc/43/23/52/359432352.db2.gz SRVVMEKKUOGDGS-ZDUSSCGKSA-N 1 0 323.397 1.370 20 5 DDBDRO O=[N+]([O-])c1ccc(CCn2cc(C[C@@H]3CCC[NH2+]C3)nn2)cc1 ZINC000603193702 359470600 /nfs/dbraw/zinc/47/06/00/359470600.db2.gz BNMRTONIJLUOJV-AWEZNQCLSA-N 1 0 315.377 1.971 20 5 DDBDRO CCN(C)C(=O)C[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000186809249 200014453 /nfs/dbraw/zinc/01/44/53/200014453.db2.gz SPWASMXBGOOBEQ-LLVKDONJSA-N 1 0 322.365 1.380 20 5 DDBDRO CN(CC[N@H+](C)C1CC1)C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000186749875 200003559 /nfs/dbraw/zinc/00/35/59/200003559.db2.gz SQBHGEHCFHMHML-UHFFFAOYSA-N 1 0 320.393 1.949 20 5 DDBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000186910523 200029327 /nfs/dbraw/zinc/02/93/27/200029327.db2.gz NBSIHLWSPMKJQM-SNVBAGLBSA-N 1 0 308.338 1.300 20 5 DDBDRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000186934837 200034057 /nfs/dbraw/zinc/03/40/57/200034057.db2.gz XDMOSLODHHBDPO-GFCCVEGCSA-N 1 0 321.377 1.512 20 5 DDBDRO C[C@@H](O)C[N@@H+]1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000186955050 200037449 /nfs/dbraw/zinc/03/74/49/200037449.db2.gz VCEOYVBCGKHQMJ-QWHCGFSZSA-N 1 0 321.377 1.051 20 5 DDBDRO C[NH+](C)CC1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000603866070 359688984 /nfs/dbraw/zinc/68/89/84/359688984.db2.gz JUFCKRQLERHYMR-UHFFFAOYSA-N 1 0 306.366 1.472 20 5 DDBDRO C[C@H]1CN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC[NH2+]1 ZINC000237580201 202291242 /nfs/dbraw/zinc/29/12/42/202291242.db2.gz FOLPSEDMDOWSMH-NSHDSACASA-N 1 0 315.333 1.214 20 5 DDBDRO Cc1c(C(=O)N2CC[NH2+][C@@H](C)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000237639926 202313457 /nfs/dbraw/zinc/31/34/57/202313457.db2.gz GDOFMJWJLZOWDU-QMMMGPOBSA-N 1 0 322.321 1.554 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N(C)[C@H](C)C[NH3+] ZINC000237654737 202319296 /nfs/dbraw/zinc/31/92/96/202319296.db2.gz ZEIDTSZPWDUWOT-SNVBAGLBSA-N 1 0 301.368 1.179 20 5 DDBDRO Cc1nn(C)c(C(=O)NC[C@H]([NH3+])c2ccccc2)c1[N+](=O)[O-] ZINC000237799604 202358308 /nfs/dbraw/zinc/35/83/08/202358308.db2.gz UKHCUEOUQNUVNS-NSHDSACASA-N 1 0 303.322 1.067 20 5 DDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCN1CCC(O)CC1 ZINC000449090841 296006868 /nfs/dbraw/zinc/00/68/68/296006868.db2.gz HQIFOLDDSJBVQI-AWEZNQCLSA-N 1 0 321.421 1.962 20 5 DDBDRO C[C@H](O)C[NH+]1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000189303515 200378471 /nfs/dbraw/zinc/37/84/71/200378471.db2.gz MCDVECOVRBUNRR-NSHDSACASA-N 1 0 313.785 1.747 20 5 DDBDRO CC[NH+](CC)[C@@H]1CCN(c2ncc(C(=O)OC)cc2[N+](=O)[O-])C1 ZINC000189329852 200383236 /nfs/dbraw/zinc/38/32/36/200383236.db2.gz NMORFFIJBIGVQT-GFCCVEGCSA-N 1 0 322.365 1.697 20 5 DDBDRO CC(C)[NH2+][C@@H]1CCCN(C(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000609135502 360264303 /nfs/dbraw/zinc/26/43/03/360264303.db2.gz NSEGVFNNKSROLU-CYBMUJFWSA-N 1 0 321.377 1.963 20 5 DDBDRO COC(=O)c1cc(NC(=O)[C@H]2CC[N@H+](C)C2)cc([N+](=O)[O-])c1 ZINC000609883750 360360029 /nfs/dbraw/zinc/36/00/29/360360029.db2.gz STYNPGBLBZSYSP-VIFPVBQESA-N 1 0 307.306 1.272 20 5 DDBDRO CCCc1n[nH]c(C(=O)N[C@H](C)C2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000609994318 360370899 /nfs/dbraw/zinc/37/08/99/360370899.db2.gz PQVALZJTPCXAML-SNVBAGLBSA-N 1 0 323.397 1.731 20 5 DDBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])cn2C)[C@H](C)C1 ZINC000610177832 360388906 /nfs/dbraw/zinc/38/89/06/360388906.db2.gz HUXVWSPPVVOONH-YPMHNXCESA-N 1 0 308.382 1.736 20 5 DDBDRO C[N@@H+](C[C@H](O)C1CC1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000610572869 360473880 /nfs/dbraw/zinc/47/38/80/360473880.db2.gz PCWYNLYEAVHLFY-ZFWWWQNUSA-N 1 0 310.350 1.037 20 5 DDBDRO C[NH+](C)CCn1cc(NC(=O)c2cccc([N+](=O)[O-])c2N)cn1 ZINC000610513978 360457817 /nfs/dbraw/zinc/45/78/17/360457817.db2.gz JTJIIJLZWVUMRS-UHFFFAOYSA-N 1 0 318.337 1.187 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)c1[N+](=O)[O-] ZINC000610922440 360572234 /nfs/dbraw/zinc/57/22/34/360572234.db2.gz BALPZUZKTOJCGC-NSHDSACASA-N 1 0 321.381 1.655 20 5 DDBDRO C[N@@H+]1CCCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000610930180 360573935 /nfs/dbraw/zinc/57/39/35/360573935.db2.gz SHMHRCMSVQBJTG-UHFFFAOYSA-N 1 0 307.350 1.504 20 5 DDBDRO CC[N@@H+]1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@H]1C ZINC000611091851 360621462 /nfs/dbraw/zinc/62/14/62/360621462.db2.gz AFNPTAZZDAAUEG-GFCCVEGCSA-N 1 0 321.377 1.987 20 5 DDBDRO C[C@@H]1CN(c2cccnc2[N+](=O)[O-])CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000611204550 360659194 /nfs/dbraw/zinc/65/91/94/360659194.db2.gz RWTHUGYEDYWDCC-KGLIPLIRSA-N 1 0 319.409 1.452 20 5 DDBDRO C[C@H](c1ccccc1)[C@@H](CO)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000613388963 361401801 /nfs/dbraw/zinc/40/18/01/361401801.db2.gz AMSJVSIWDJOEDE-IUODEOHRSA-N 1 0 304.350 1.546 20 5 DDBDRO C[NH+]1CC2(C1)CCN(C(=O)CCc1cccc([N+](=O)[O-])c1)C2 ZINC000618920902 363801425 /nfs/dbraw/zinc/80/14/25/363801425.db2.gz JXNIIMWQBHLFKR-UHFFFAOYSA-N 1 0 303.362 1.692 20 5 DDBDRO C[NH+](C)C[C@]1(O)CCCN(C(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000618923052 363802608 /nfs/dbraw/zinc/80/26/08/363802608.db2.gz BUARQHZQJRDPRP-MRXNPFEDSA-N 1 0 321.377 1.052 20 5 DDBDRO C[C@@]1(C[NH3+])CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000566102045 304117325 /nfs/dbraw/zinc/11/73/25/304117325.db2.gz IOROJKFBOFQPCG-AWEZNQCLSA-N 1 0 307.306 1.134 20 5 DDBDRO COCC1(CNC(=O)Cc2ccccc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000261970106 203163254 /nfs/dbraw/zinc/16/32/54/203163254.db2.gz YVYMOWJWCWYCMT-UHFFFAOYSA-N 1 0 321.377 1.270 20 5 DDBDRO C[C@H](O)C[NH+]1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000275050202 212094264 /nfs/dbraw/zinc/09/42/64/212094264.db2.gz SOTFEUSOHWBREF-LBPRGKRZSA-N 1 0 316.361 1.646 20 5 DDBDRO CC[NH+](CC)CCN(CCOC)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000264198222 203759815 /nfs/dbraw/zinc/75/98/15/203759815.db2.gz QJMPNGHBKKPHMY-UHFFFAOYSA-N 1 0 312.370 1.353 20 5 DDBDRO O=[N+]([O-])c1ccccc1C[NH2+]CC1(OCCO)CCOCC1 ZINC000282617965 217128879 /nfs/dbraw/zinc/12/88/79/217128879.db2.gz ITAPPMKUXOHBQO-UHFFFAOYSA-N 1 0 310.350 1.243 20 5 DDBDRO CN(CC(=O)N1CC[C@@H](C[NH+](C)C)C1)c1ccccc1[N+](=O)[O-] ZINC000266292234 205241590 /nfs/dbraw/zinc/24/15/90/205241590.db2.gz IRHKUKSXTNITOZ-ZDUSSCGKSA-N 1 0 320.393 1.441 20 5 DDBDRO CC[C@@H]1CN(c2ncc([N+](=O)[O-])cc2C)CC[N@@H+]1C[C@H](C)O ZINC000266309727 205255851 /nfs/dbraw/zinc/25/58/51/205255851.db2.gz DIKFHRDHFWDIDC-QWHCGFSZSA-N 1 0 308.382 1.580 20 5 DDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@H](CO)C[NH+]1CCCCC1 ZINC000288516169 220194354 /nfs/dbraw/zinc/19/43/54/220194354.db2.gz NJFIDXDZWJSVRG-AWEZNQCLSA-N 1 0 321.377 1.100 20 5 DDBDRO Cc1ccc(C(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000160228972 197394339 /nfs/dbraw/zinc/39/43/39/197394339.db2.gz CXIHHJCKSRCILD-AWEZNQCLSA-N 1 0 321.377 1.480 20 5 DDBDRO COc1cc(N2CCO[C@@H](C[NH+](C)C)C2)c(F)cc1[N+](=O)[O-] ZINC000159909784 197372668 /nfs/dbraw/zinc/37/26/68/197372668.db2.gz FWMHWGLFDPGMPO-JTQLQIEISA-N 1 0 313.329 1.509 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000036300130 248187624 /nfs/dbraw/zinc/18/76/24/248187624.db2.gz JMROZNFGNMNALN-UHFFFAOYSA-N 1 0 313.379 1.276 20 5 DDBDRO CS[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)C[C@@H]1[NH+](C)C ZINC000270533932 248624557 /nfs/dbraw/zinc/62/45/57/248624557.db2.gz VXJKFLUFXKVOHZ-STQMWFEESA-N 1 0 309.391 1.712 20 5 DDBDRO COc1c[nH+]ccc1N1CCN(c2ncc([N+](=O)[O-])s2)CC1 ZINC000336946421 249294849 /nfs/dbraw/zinc/29/48/49/249294849.db2.gz MGOKPOYRYBIJRM-UHFFFAOYSA-N 1 0 321.362 1.782 20 5 DDBDRO Cc1cc(C(=O)NCC[N@H+]2CCC[C@H](C)C2)c(N)c([N+](=O)[O-])c1 ZINC000104850677 194046785 /nfs/dbraw/zinc/04/67/85/194046785.db2.gz COHNZNGJWDLJOS-NSHDSACASA-N 1 0 320.393 1.947 20 5 DDBDRO CO[C@H]1C[C@@H](CN(C)c2ncc([N+](=O)[O-])cc2Cl)[N@H+](C)C1 ZINC000284665802 218123743 /nfs/dbraw/zinc/12/37/43/218123743.db2.gz YGNKRSDNKJTFMH-QWRGUYRKSA-N 1 0 314.773 1.799 20 5 DDBDRO CC[N@H+](CCNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)C1CC1 ZINC000338824980 250152319 /nfs/dbraw/zinc/15/23/19/250152319.db2.gz OYCAWNQQPGTCQO-UHFFFAOYSA-N 1 0 309.370 1.127 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCC[C@H]1CC(N)=O ZINC000339138257 250309818 /nfs/dbraw/zinc/30/98/18/250309818.db2.gz ZTPJQTQEMANPEP-LBPRGKRZSA-N 1 0 307.350 1.833 20 5 DDBDRO NC(=O)C[C@@H]1CCCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000339140070 250311778 /nfs/dbraw/zinc/31/17/78/250311778.db2.gz LDAUOCDJSNKIDX-ZDUSSCGKSA-N 1 0 307.350 1.704 20 5 DDBDRO C[NH+](C)Cc1ccc(C(=O)NCc2ccc([N+](=O)[O-])cc2)cn1 ZINC000339260502 250374056 /nfs/dbraw/zinc/37/40/56/250374056.db2.gz BFNQTCPBSZSWCM-UHFFFAOYSA-N 1 0 314.345 1.981 20 5 DDBDRO Cc1n[nH]c(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1[N+](=O)[O-] ZINC000269023398 207174162 /nfs/dbraw/zinc/17/41/62/207174162.db2.gz QIGAAVSCRRJLHH-MNOVXSKESA-N 1 0 307.354 1.183 20 5 DDBDRO C[C@H]1C[C@@H](NC(=O)NCc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000340948522 251297075 /nfs/dbraw/zinc/29/70/75/251297075.db2.gz CCDMCSCTGINSIM-AAEUAGOBSA-N 1 0 306.366 1.877 20 5 DDBDRO C[NH2+]CC1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000063159709 184275254 /nfs/dbraw/zinc/27/52/54/184275254.db2.gz KKLKXACEDJHZRY-UHFFFAOYSA-N 1 0 313.379 1.215 20 5 DDBDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000063758281 184287947 /nfs/dbraw/zinc/28/79/47/184287947.db2.gz DHUIVWJCBNAETD-CYBMUJFWSA-N 1 0 323.397 1.420 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000269193877 207314666 /nfs/dbraw/zinc/31/46/66/207314666.db2.gz OUXKERHIHGKENV-NEPJUHHUSA-N 1 0 318.377 1.627 20 5 DDBDRO COc1cc(OCC(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000269196397 207316888 /nfs/dbraw/zinc/31/68/88/207316888.db2.gz ITWVPAPCDDAOOZ-ZYHUDNBSSA-N 1 0 323.349 1.178 20 5 DDBDRO COC(=O)[C@H]1CN(Cc2ccc(C)c([N+](=O)[O-])c2)CC[N@H+](C)C1 ZINC000414493342 533006569 /nfs/dbraw/zinc/00/65/69/533006569.db2.gz IFMNTMWLVBLGPQ-CQSZACIVSA-N 1 0 321.377 1.440 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](CCO)CC1CC1 ZINC000352467463 285072076 /nfs/dbraw/zinc/07/20/76/285072076.db2.gz KVCAQDNYVDOJFJ-UHFFFAOYSA-N 1 0 307.350 1.546 20 5 DDBDRO O=C1[C@@H]([N@H+](CCO)CC2CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000352468358 285072680 /nfs/dbraw/zinc/07/26/80/285072680.db2.gz ROSAXQKVPKRIKD-HNNXBMFYSA-N 1 0 319.361 1.404 20 5 DDBDRO C[C@@]1(CNC(=O)CCOc2ccccc2[N+](=O)[O-])CCC[NH2+]C1 ZINC000272940139 210326796 /nfs/dbraw/zinc/32/67/96/210326796.db2.gz BVYPCCGIAQCTTE-MRXNPFEDSA-N 1 0 321.377 1.870 20 5 DDBDRO COc1ccc(OCC[N@H+](C)[C@@H]2CCC[C@H]2O)c([N+](=O)[O-])c1 ZINC000286530195 219038762 /nfs/dbraw/zinc/03/87/62/219038762.db2.gz NQFRHLXOIABREJ-TZMCWYRMSA-N 1 0 310.350 1.827 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000158425952 197271059 /nfs/dbraw/zinc/27/10/59/197271059.db2.gz PDZSCOORPIOVGV-MRXNPFEDSA-N 1 0 318.377 1.486 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000157712435 197210212 /nfs/dbraw/zinc/21/02/12/197210212.db2.gz AHZPSSCYXCLFNZ-ZWNOBZJWSA-N 1 0 306.366 1.518 20 5 DDBDRO O=[N+]([O-])c1cnc(NC[C@H](O)C[NH+]2CCCCC2)c(Cl)c1 ZINC000122627131 285180302 /nfs/dbraw/zinc/18/03/02/285180302.db2.gz COMKEDRNUZGCSX-NSHDSACASA-N 1 0 314.773 1.902 20 5 DDBDRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000156254385 197098893 /nfs/dbraw/zinc/09/88/93/197098893.db2.gz HSOCTKKPHPBHFF-RYUDHWBXSA-N 1 0 307.350 1.559 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@H]1CCc2c1cccc2O ZINC000451180574 285221340 /nfs/dbraw/zinc/22/13/40/285221340.db2.gz TUWQIVJSDCEQRO-AWEZNQCLSA-N 1 0 315.329 1.739 20 5 DDBDRO C[C@@H](NC(=O)NC[C@@H]1CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000417139457 533175264 /nfs/dbraw/zinc/17/52/64/533175264.db2.gz OSINKUAVHQXPSG-VXGBXAGGSA-N 1 0 306.366 1.955 20 5 DDBDRO O=[N+]([O-])c1ccccc1/C=C/CN1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000352700050 285238212 /nfs/dbraw/zinc/23/82/12/285238212.db2.gz KVOJUDBZFVGWHH-WMHVBEDNSA-N 1 0 316.405 1.588 20 5 DDBDRO CN1CC[C@H]([N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1=O ZINC000352700715 285238926 /nfs/dbraw/zinc/23/89/26/285238926.db2.gz UFJJWJOORWPDPX-ZDUSSCGKSA-N 1 0 320.349 1.086 20 5 DDBDRO O=C(NCCC[C@@H]1CCC[NH2+]1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000294798262 224228366 /nfs/dbraw/zinc/22/83/66/224228366.db2.gz IDNUSMGRQWVROL-JTQLQIEISA-N 1 0 317.349 1.733 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)c1 ZINC000449667935 533214062 /nfs/dbraw/zinc/21/40/62/533214062.db2.gz VWNBERPHACDJKS-LLVKDONJSA-N 1 0 315.276 1.330 20 5 DDBDRO NC(=O)c1ccc(C[NH2+][C@H](CO)C2CCCC2)c([N+](=O)[O-])c1 ZINC000289635426 221118315 /nfs/dbraw/zinc/11/83/15/221118315.db2.gz UNAZAOZXSXSTAT-CYBMUJFWSA-N 1 0 307.350 1.334 20 5 DDBDRO COc1ccc(CNC(=O)[C@H]2CC[NH2+][C@H]2C(C)C)cc1[N+](=O)[O-] ZINC000289855106 221270985 /nfs/dbraw/zinc/27/09/85/221270985.db2.gz GBWDYVAKHBLVDO-WFASDCNBSA-N 1 0 321.377 1.854 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC([NH+](C)C)CC1 ZINC000127910286 195920499 /nfs/dbraw/zinc/92/04/99/195920499.db2.gz GXCOXDGBNRCUSB-UHFFFAOYSA-N 1 0 320.393 1.868 20 5 DDBDRO COc1cc(C(=O)N(C2CC2)[C@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000435246314 533512441 /nfs/dbraw/zinc/51/24/41/533512441.db2.gz GGJMVUKEZGKCLF-LBPRGKRZSA-N 1 0 305.334 1.570 20 5 DDBDRO COc1ccc(CNC(=O)N2CC[NH2+][C@@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000417176001 533602008 /nfs/dbraw/zinc/60/20/08/533602008.db2.gz BRVNSOIQOAPCKG-WDEREUQCSA-N 1 0 322.365 1.495 20 5 DDBDRO COc1ccc(CNC(=O)NC[C@H]([NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000417184260 533618106 /nfs/dbraw/zinc/61/81/06/533618106.db2.gz BUCPFAPVWTYYIZ-NSHDSACASA-N 1 0 308.338 1.140 20 5 DDBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000568512665 304297126 /nfs/dbraw/zinc/29/71/26/304297126.db2.gz BVZGEKIYWNXMNC-WDEREUQCSA-N 1 0 317.349 1.636 20 5 DDBDRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000068203187 406622531 /nfs/dbraw/zinc/62/25/31/406622531.db2.gz OWWUOIZQMYLQAR-CYBMUJFWSA-N 1 0 320.393 1.997 20 5 DDBDRO O=C(c1cccc([N+](=O)[O-])c1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000007922706 406771168 /nfs/dbraw/zinc/77/11/68/406771168.db2.gz JPTWYXFVVNCKBP-UHFFFAOYSA-N 1 0 312.329 1.952 20 5 DDBDRO CCCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000071330326 406836913 /nfs/dbraw/zinc/83/69/13/406836913.db2.gz FWNBLQWMPCXFID-LLVKDONJSA-N 1 0 313.379 1.357 20 5 DDBDRO C[NH2+][C@@H]1CCCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000053202809 407165449 /nfs/dbraw/zinc/16/54/49/407165449.db2.gz KUUNPXYNXFRSII-LLVKDONJSA-N 1 0 313.379 1.276 20 5 DDBDRO NC(=O)N1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000102190894 407320875 /nfs/dbraw/zinc/32/08/75/407320875.db2.gz QRCCZKKZDFXIRR-UHFFFAOYSA-N 1 0 308.338 1.060 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C2CC2)[NH+](C)C)c1 ZINC000067752239 407283613 /nfs/dbraw/zinc/28/36/13/407283613.db2.gz HCRYNJLSSBXSIR-CQSZACIVSA-N 1 0 307.350 1.673 20 5 DDBDRO CC[N@@H+]1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000107890888 407381350 /nfs/dbraw/zinc/38/13/50/407381350.db2.gz MMEWSCYBWIFWLI-LLVKDONJSA-N 1 0 307.350 1.675 20 5 DDBDRO COCC1CC[NH+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000112353005 407426928 /nfs/dbraw/zinc/42/69/28/407426928.db2.gz VBJSHZZCKPHWLJ-UHFFFAOYSA-N 1 0 307.350 1.552 20 5 DDBDRO O=C(N[C@@H]1CC[NH2+]C1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000127224419 407431019 /nfs/dbraw/zinc/43/10/19/407431019.db2.gz AWXSRSXVFJZMGR-GFCCVEGCSA-N 1 0 318.377 1.677 20 5 DDBDRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000185706665 407481718 /nfs/dbraw/zinc/48/17/18/407481718.db2.gz VSZXEHAUDPPJOV-LBPRGKRZSA-N 1 0 308.338 1.108 20 5 DDBDRO COc1ccc(OCCN(C)[C@@H]2CCN(C)C2=O)c([N+](=O)[O-])c1 ZINC000266541157 407552683 /nfs/dbraw/zinc/55/26/83/407552683.db2.gz PTWNSMBUSNPSPT-GFCCVEGCSA-N 1 0 323.349 1.145 20 5 DDBDRO C[NH+](C)C[C@@H]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000114147954 407544318 /nfs/dbraw/zinc/54/43/18/407544318.db2.gz ZDSNJBREOMASNH-VIFPVBQESA-N 1 0 310.329 1.340 20 5 DDBDRO COCC[NH2+]CCNC(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000152288891 407603296 /nfs/dbraw/zinc/60/32/96/407603296.db2.gz CKLNYZXASCUOTK-UHFFFAOYSA-N 1 0 313.379 1.283 20 5 DDBDRO C[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)CC(C)(C)O ZINC000114727965 407607565 /nfs/dbraw/zinc/60/75/65/407607565.db2.gz HMHSSWACGGDLDK-UHFFFAOYSA-N 1 0 307.350 1.187 20 5 DDBDRO C[C@@H]([NH3+])C1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000178845797 407625521 /nfs/dbraw/zinc/62/55/21/407625521.db2.gz MVLADNQKNIIOCH-LLVKDONJSA-N 1 0 306.366 1.593 20 5 DDBDRO C[NH+](C)CCCNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000271328655 407638115 /nfs/dbraw/zinc/63/81/15/407638115.db2.gz QSPYODZCTCXBTJ-UHFFFAOYSA-N 1 0 309.351 1.281 20 5 DDBDRO C[C@H]([NH3+])CCNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000178911784 407652060 /nfs/dbraw/zinc/65/20/60/407652060.db2.gz CZESRUKNHZZFEQ-ZETCQYMHSA-N 1 0 307.759 1.264 20 5 DDBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@H](CN3CCOCC3)C2)c1 ZINC000129180418 407593556 /nfs/dbraw/zinc/59/35/56/407593556.db2.gz FDKQNZHKYSJMJK-OAHLLOKOSA-N 1 0 305.378 1.749 20 5 DDBDRO C[NH2+]C1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000178951923 407670836 /nfs/dbraw/zinc/67/08/36/407670836.db2.gz OYTALVWCDDANRT-UHFFFAOYSA-N 1 0 313.379 1.276 20 5 DDBDRO Cn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)n1 ZINC000271449963 407688300 /nfs/dbraw/zinc/68/83/00/407688300.db2.gz VLEUHCLNFLCGNR-NSHDSACASA-N 1 0 307.354 1.029 20 5 DDBDRO Cn1c(C(=O)Nc2ccc3c(c2)C[NH2+]CC3)ccc1[N+](=O)[O-] ZINC000261981021 407702717 /nfs/dbraw/zinc/70/27/17/407702717.db2.gz RJRGDEHBVQRVGK-UHFFFAOYSA-N 1 0 300.318 1.831 20 5 DDBDRO CN(CC[N@H+](C)C1CC1)C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000186709476 407750560 /nfs/dbraw/zinc/75/05/60/407750560.db2.gz FPZWWAQMMWDXHY-UHFFFAOYSA-N 1 0 307.350 1.526 20 5 DDBDRO C[NH2+]C[C@H](C)CNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237196120 407804803 /nfs/dbraw/zinc/80/48/03/407804803.db2.gz ZYGXAUJDCGEMOK-NSHDSACASA-N 1 0 317.349 1.366 20 5 DDBDRO C[C@H]1C[NH+](CCCCNC(=O)c2ccc([N+](=O)[O-])[nH]2)C[C@H](C)O1 ZINC000268041054 407867189 /nfs/dbraw/zinc/86/71/89/407867189.db2.gz XZQXSYICSFBCFK-RYUDHWBXSA-N 1 0 324.381 1.542 20 5 DDBDRO O=C(CN1CC[C@H]2C[NH2+]C[C@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000262577564 407871335 /nfs/dbraw/zinc/87/13/35/407871335.db2.gz YLAVKEZZWSJXDF-RYUDHWBXSA-N 1 0 304.350 1.075 20 5 DDBDRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)c1ccc(F)cc1[N+](=O)[O-] ZINC000134306195 407896127 /nfs/dbraw/zinc/89/61/27/407896127.db2.gz QKULMJMVVSFIEQ-LBPRGKRZSA-N 1 0 307.325 1.948 20 5 DDBDRO C[C@H]1Cc2ccccc2C[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000173801531 407896752 /nfs/dbraw/zinc/89/67/52/407896752.db2.gz GLQMLHMIUYTUQV-LRDDRELGSA-N 1 0 316.361 1.599 20 5 DDBDRO CCC[C@@](C)([NH3+])C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000262720942 407909145 /nfs/dbraw/zinc/90/91/45/407909145.db2.gz ZOXFJDXJUBNQLO-IAQYHMDHSA-N 1 0 321.381 1.520 20 5 DDBDRO CC(C)(NC(=O)C[C@@H]1COCC[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC000262489725 407847678 /nfs/dbraw/zinc/84/76/78/407847678.db2.gz HMBHBQZDZJJAEJ-GFCCVEGCSA-N 1 0 307.350 1.325 20 5 DDBDRO Cc1nn(CCC(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000262922784 407970873 /nfs/dbraw/zinc/97/08/73/407970873.db2.gz RWJUXQIAHWZZJQ-JOYOIKCWSA-N 1 0 309.370 1.055 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)C[NH+]1CCC(C)CC1 ZINC000134700778 407926484 /nfs/dbraw/zinc/92/64/84/407926484.db2.gz YQKXBAZDABQCGD-UHFFFAOYSA-N 1 0 321.377 1.952 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000268418578 408036687 /nfs/dbraw/zinc/03/66/87/408036687.db2.gz WEDAFJRDLAHECW-UHFFFAOYSA-N 1 0 320.393 1.504 20 5 DDBDRO CCN(CCc1ccc([N+](=O)[O-])cc1)CCS(C)(=O)=O ZINC000154468284 408038982 /nfs/dbraw/zinc/03/89/82/408038982.db2.gz DWKDQJWWHZMALU-UHFFFAOYSA-N 1 0 300.380 1.504 20 5 DDBDRO CN(CC1([NH+](C)C)CCC1)C(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000189525522 408040675 /nfs/dbraw/zinc/04/06/75/408040675.db2.gz OCZKHPGQUURFIZ-UHFFFAOYSA-N 1 0 324.356 1.872 20 5 DDBDRO COC(=O)[C@H]1CCCCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154615653 408060192 /nfs/dbraw/zinc/06/01/92/408060192.db2.gz KXDRXHJSIPHDAY-ZIAGYGMSSA-N 1 0 308.334 1.656 20 5 DDBDRO Cn1cc(C[NH2+][C@H]2CCOC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000181991419 408062503 /nfs/dbraw/zinc/06/25/03/408062503.db2.gz FJRQVVDTJQAPLI-ZDUSSCGKSA-N 1 0 302.334 1.874 20 5 DDBDRO COc1cc(OCC(=O)N[C@@](C)(C[NH3+])C2CC2)ccc1[N+](=O)[O-] ZINC000154863485 408097432 /nfs/dbraw/zinc/09/74/32/408097432.db2.gz LBXDENLTYMKEFV-HNNXBMFYSA-N 1 0 323.349 1.226 20 5 DDBDRO CC(C)OCC[NH+]1CCC(Nc2ncc([N+](=O)[O-])cn2)CC1 ZINC000273190528 408100654 /nfs/dbraw/zinc/10/06/54/408100654.db2.gz PTPDHTFKSRJOIM-UHFFFAOYSA-N 1 0 309.370 1.686 20 5 DDBDRO COCC[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccco1 ZINC000273204724 408106206 /nfs/dbraw/zinc/10/62/06/408106206.db2.gz ANLQRSUYGCLNBR-ZDUSSCGKSA-N 1 0 321.333 1.717 20 5 DDBDRO C[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000182433670 408156187 /nfs/dbraw/zinc/15/61/87/408156187.db2.gz BTVMGJWGWAAJNK-JSGCOSHPSA-N 1 0 324.377 1.739 20 5 DDBDRO CCc1n[nH]c(C(=O)N2CC[C@H](C[N@@H+](C)CC)C2)c1[N+](=O)[O-] ZINC000176086660 408282153 /nfs/dbraw/zinc/28/21/53/408282153.db2.gz RFVXITRVHUGMQD-SNVBAGLBSA-N 1 0 309.370 1.294 20 5 DDBDRO COCC[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccccc1 ZINC000176191657 408302805 /nfs/dbraw/zinc/30/28/05/408302805.db2.gz QDVPEBHQSNGHGK-UHFFFAOYSA-N 1 0 304.350 1.940 20 5 DDBDRO [NH3+]CCCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000165286320 162160474 /nfs/dbraw/zinc/16/04/74/162160474.db2.gz NFIQXLXALMFVDD-UHFFFAOYSA-N 1 0 302.128 1.436 20 5 DDBDRO Cc1ccc(S(=O)(=O)N2CC[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000170873724 162197495 /nfs/dbraw/zinc/19/74/95/162197495.db2.gz ZXFAUICFBTZFJE-LLVKDONJSA-N 1 0 313.379 1.228 20 5 DDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000171450741 162219437 /nfs/dbraw/zinc/21/94/37/162219437.db2.gz HZXDZRJKTJKLAE-HNNXBMFYSA-N 1 0 303.362 1.834 20 5 DDBDRO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000247329392 408452550 /nfs/dbraw/zinc/45/25/50/408452550.db2.gz MXHDUIRISZNAAB-IUODEOHRSA-N 1 0 305.378 1.982 20 5 DDBDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000176875140 408465160 /nfs/dbraw/zinc/46/51/60/408465160.db2.gz ZYWSWBALYKUTNY-AWEZNQCLSA-N 1 0 323.393 1.990 20 5 DDBDRO CC[C@H]1CN(c2nccc(C)c2[N+](=O)[O-])CC[N@@H+]1C[C@H](C)O ZINC000265193139 408575676 /nfs/dbraw/zinc/57/56/76/408575676.db2.gz LHWXDKDBNPZDAD-STQMWFEESA-N 1 0 308.382 1.580 20 5 DDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C[C@@H](C)[C@@H]([NH+](C)C)C1 ZINC000270695036 408642294 /nfs/dbraw/zinc/64/22/94/408642294.db2.gz YTSAHZNCYKLPRT-JMSVASOKSA-N 1 0 320.393 1.804 20 5 DDBDRO C[NH+](C)CCc1ccccc1NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000275676698 408643328 /nfs/dbraw/zinc/64/33/28/408643328.db2.gz PQCDFLUCLMFBMC-UHFFFAOYSA-N 1 0 317.349 1.534 20 5 DDBDRO Nc1ccc([N+](=O)[O-])c(N2CCC(C[NH+]3CCOCC3)CC2)c1 ZINC000192779949 408646192 /nfs/dbraw/zinc/64/61/92/408646192.db2.gz KUGNSMMULRXAOG-UHFFFAOYSA-N 1 0 320.393 1.726 20 5 DDBDRO C[C@H](O)C[N@@H+]1CCN(CCOc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000249262089 408707626 /nfs/dbraw/zinc/70/76/26/408707626.db2.gz HFDYUOJMAWLYAP-KGLIPLIRSA-N 1 0 323.393 1.361 20 5 DDBDRO Nc1ccc([N+](=O)[O-])c(N2CC[NH+](CC3CCOCC3)CC2)c1 ZINC000193448627 408719368 /nfs/dbraw/zinc/71/93/68/408719368.db2.gz CEFALEFJYRKNJH-UHFFFAOYSA-N 1 0 320.393 1.726 20 5 DDBDRO O=C1CCCN1[C@@H]1CC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000270874700 408719459 /nfs/dbraw/zinc/71/94/59/408719459.db2.gz JQFSYHUUKMGFMZ-CABCVRRESA-N 1 0 319.361 1.325 20 5 DDBDRO CC[NH+]1CCN(CC(=O)N(C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000193521894 408726842 /nfs/dbraw/zinc/72/68/42/408726842.db2.gz FFSPLSXYIPMZQJ-UHFFFAOYSA-N 1 0 320.393 1.191 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[N@H+](C[C@H](C)O)C[C@@H]1C ZINC000249507532 408732957 /nfs/dbraw/zinc/73/29/57/408732957.db2.gz LKVRLXFUBPWPED-STQMWFEESA-N 1 0 323.393 1.490 20 5 DDBDRO CO[C@@H]1C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC[C@H]1C ZINC000251655653 408784520 /nfs/dbraw/zinc/78/45/20/408784520.db2.gz HTRFWMIFWMOBLC-DVOMOZLQSA-N 1 0 324.377 1.691 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@](C)(O)CN1CCOCC1 ZINC000183479410 306711361 /nfs/dbraw/zinc/71/13/61/306711361.db2.gz NQJLQMWIGAOYOK-MRXNPFEDSA-N 1 0 323.393 1.076 20 5 DDBDRO CCOCCOCC[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000276282676 408828781 /nfs/dbraw/zinc/82/87/81/408828781.db2.gz RXIYTKGMAUEIKU-UHFFFAOYSA-N 1 0 312.366 1.959 20 5 DDBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290800155 408834754 /nfs/dbraw/zinc/83/47/54/408834754.db2.gz PRVWCPXDYMNSOC-MNOVXSKESA-N 1 0 319.365 1.152 20 5 DDBDRO CC(C)[N@@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000276382882 408846834 /nfs/dbraw/zinc/84/68/34/408846834.db2.gz QIOGZTPTDFESMR-UHFFFAOYSA-N 1 0 306.366 1.733 20 5 DDBDRO CCN(CCC[NH+](CC)CC)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000276407444 408851381 /nfs/dbraw/zinc/85/13/81/408851381.db2.gz HMGMZJXCPHYMNY-UHFFFAOYSA-N 1 0 311.386 1.522 20 5 DDBDRO O=C(COc1ccccc1[N+](=O)[O-])N1CC[NH+]2CCC1CC2 ZINC000188611655 163060352 /nfs/dbraw/zinc/06/03/52/163060352.db2.gz WBRIBPBCSFOFPA-UHFFFAOYSA-N 1 0 305.334 1.280 20 5 DDBDRO CCOc1ccc(C(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)cc1[N+](=O)[O-] ZINC000236902982 163366001 /nfs/dbraw/zinc/36/60/01/163366001.db2.gz SZCLCAYXTZHWTQ-MNOVXSKESA-N 1 0 307.350 1.816 20 5 DDBDRO Cc1nn(C)c(C(=O)NCC2([NH3+])CCCCCC2)c1[N+](=O)[O-] ZINC000237799345 163389768 /nfs/dbraw/zinc/38/97/68/163389768.db2.gz XINVTQYKXMEYIO-UHFFFAOYSA-N 1 0 309.370 1.418 20 5 DDBDRO C[NH+]1CCC(CC(=O)NCCc2ccccc2[N+](=O)[O-])CC1 ZINC000291971724 408956059 /nfs/dbraw/zinc/95/60/59/408956059.db2.gz QBOJJNBQNHCJQR-UHFFFAOYSA-N 1 0 305.378 1.985 20 5 DDBDRO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000286303145 408959176 /nfs/dbraw/zinc/95/91/76/408959176.db2.gz XOVAMFQPHRBTDA-HSMVNMDESA-N 1 0 320.393 1.900 20 5 DDBDRO COCC[N@@H+]1CC[C@@H](Nc2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000286412620 408980768 /nfs/dbraw/zinc/98/07/68/408980768.db2.gz AUYSGCATKYGCIS-SECBINFHSA-N 1 0 323.378 1.732 20 5 DDBDRO CC[N@@H+]1CCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)[C@@H](C)C1 ZINC000286423375 408982810 /nfs/dbraw/zinc/98/28/10/408982810.db2.gz REVGZMJSUVXMAB-JTQLQIEISA-N 1 0 317.349 1.774 20 5 DDBDRO CC[N@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H](C)CO ZINC000292113833 408983794 /nfs/dbraw/zinc/98/37/94/408983794.db2.gz HJPCPPQVOSMFDW-SECBINFHSA-N 1 0 315.757 1.889 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000277683321 408992042 /nfs/dbraw/zinc/99/20/42/408992042.db2.gz YVQYFMWGTAKHRO-NSHDSACASA-N 1 0 319.361 1.984 20 5 DDBDRO CO[C@@H]1CC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000282271340 409023602 /nfs/dbraw/zinc/02/36/02/409023602.db2.gz HPWSVYHUXSHRAZ-NWANDNLSSA-N 1 0 324.377 1.834 20 5 DDBDRO COCCN(CCn1ccc([N+](=O)[O-])n1)Cc1ccccn1 ZINC000287520080 409049504 /nfs/dbraw/zinc/04/95/04/409049504.db2.gz UYMZFRGXPURROF-UHFFFAOYSA-N 1 0 305.338 1.335 20 5 DDBDRO COc1ccc(C[N@@H+]2CC[C@]3(CNC(=O)C3)C2)cc1[N+](=O)[O-] ZINC000278936449 409117092 /nfs/dbraw/zinc/11/70/92/409117092.db2.gz UCIHUUGKAPODCF-HNNXBMFYSA-N 1 0 305.334 1.315 20 5 DDBDRO C[C@H]1CCC[N@H+](CCNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000283556769 409175446 /nfs/dbraw/zinc/17/54/46/409175446.db2.gz UJRWLWHIQMPZKZ-JTQLQIEISA-N 1 0 324.356 1.778 20 5 DDBDRO C[C@@]1(C[NH3+])CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000261824359 163710692 /nfs/dbraw/zinc/71/06/92/163710692.db2.gz HZXIAFVKFMIGQM-INIZCTEOSA-N 1 0 320.393 1.984 20 5 DDBDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)c3cc([N+](=O)[O-])ccc3N)C2)C1 ZINC000294096092 409239718 /nfs/dbraw/zinc/23/97/18/409239718.db2.gz KMHJTBZXUVJSQB-INIZCTEOSA-N 1 0 318.377 1.735 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H](CO)[C@H]1CCOC1 ZINC000280289004 409284845 /nfs/dbraw/zinc/28/48/45/409284845.db2.gz MLYKVLYAPJTEON-JSGCOSHPSA-N 1 0 324.377 1.728 20 5 DDBDRO O=C(CN1CC[C@@H]2[NH2+]CC[C@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000262480801 163835707 /nfs/dbraw/zinc/83/57/07/163835707.db2.gz JXSWEWJANCDZDF-RYUDHWBXSA-N 1 0 304.350 1.217 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000262773943 163877087 /nfs/dbraw/zinc/87/70/87/163877087.db2.gz MVYOTLNMBVMWBO-JQWIXIFHSA-N 1 0 313.379 1.180 20 5 DDBDRO C[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2N)CC[N@@H+](C2CC2)C1 ZINC000295255408 409398404 /nfs/dbraw/zinc/39/84/04/409398404.db2.gz FNNBPGDCEZCLCJ-LLVKDONJSA-N 1 0 318.377 1.733 20 5 DDBDRO CC(C)C[C@@H](CNc1nccc(C(N)=O)c1[N+](=O)[O-])[NH+](C)C ZINC000290458544 409409165 /nfs/dbraw/zinc/40/91/65/409409165.db2.gz DYXVBCNSXYBSKU-JTQLQIEISA-N 1 0 309.370 1.477 20 5 DDBDRO CC[N@@H+]1CC[C@H](CNC(=O)COc2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000280682782 409409303 /nfs/dbraw/zinc/40/93/03/409409303.db2.gz YWNQNOBQBNATMK-CYBMUJFWSA-N 1 0 321.377 1.740 20 5 DDBDRO CC(C)[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1nncn1C ZINC000285415995 409437858 /nfs/dbraw/zinc/43/78/58/409437858.db2.gz PWTFPMTXVCHTAM-KBPBESRZSA-N 1 0 319.365 1.744 20 5 DDBDRO C[C@@H](CCCC[NH3+])NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000312908302 164009837 /nfs/dbraw/zinc/00/98/37/164009837.db2.gz ZWTGCYQDBMORLX-JTQLQIEISA-N 1 0 301.368 1.391 20 5 DDBDRO COc1cccc([C@@H](C)[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000322156803 164045665 /nfs/dbraw/zinc/04/56/65/164045665.db2.gz IWVYPYURAVWQPT-BXUZGUMPSA-N 1 0 320.349 1.512 20 5 DDBDRO C[NH+](C)CCN(C(=O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000356876853 164134585 /nfs/dbraw/zinc/13/45/85/164134585.db2.gz DCDNEBUUBHOMKG-UHFFFAOYSA-N 1 0 307.350 1.526 20 5 DDBDRO CCN(CC[NH+]1CCCCCC1)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000331479667 409557992 /nfs/dbraw/zinc/55/79/92/409557992.db2.gz JFWKFUGOTRWCHM-UHFFFAOYSA-N 1 0 323.397 1.666 20 5 DDBDRO C[C@H]([NH2+]CC(=O)NC(=O)NC(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000296783386 409638006 /nfs/dbraw/zinc/63/80/06/409638006.db2.gz SFTQQRYUPWTBLW-JTQLQIEISA-N 1 0 322.365 1.870 20 5 DDBDRO Cn1ccnc1C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000331501788 409575705 /nfs/dbraw/zinc/57/57/05/409575705.db2.gz BOEKKKLSLQTLQZ-VXGBXAGGSA-N 1 0 304.354 1.798 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]([NH+](C)C)CC2)n1 ZINC000331625495 409707594 /nfs/dbraw/zinc/70/75/94/409707594.db2.gz KQCBTAGYJWUYPJ-LLVKDONJSA-N 1 0 309.370 1.368 20 5 DDBDRO CC(C)C[C@@H]1CCC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000305052868 409660909 /nfs/dbraw/zinc/66/09/09/409660909.db2.gz NHUSBRMWLRWMLF-ZFWWWQNUSA-N 1 0 310.398 1.910 20 5 DDBDRO C[N@H+](CC[C@H]1CCCO1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000342602192 409756418 /nfs/dbraw/zinc/75/64/18/409756418.db2.gz LWWGOVZWSFESCM-UONOGXRCSA-N 1 0 324.377 1.835 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@H]([NH3+])C1 ZINC000346087000 409771407 /nfs/dbraw/zinc/77/14/07/409771407.db2.gz VBSVQUJNWGEWOK-NSHDSACASA-N 1 0 322.365 1.355 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000342718729 409843609 /nfs/dbraw/zinc/84/36/09/409843609.db2.gz FSLQJROABMQSTM-ZWNOBZJWSA-N 1 0 307.350 1.608 20 5 DDBDRO O=C(NC[C@@H]1CC[NH2+]C1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000342730903 409854699 /nfs/dbraw/zinc/85/46/99/409854699.db2.gz XXNNJMLIYDBPQQ-LLVKDONJSA-N 1 0 315.333 1.120 20 5 DDBDRO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000332129280 409910568 /nfs/dbraw/zinc/91/05/68/409910568.db2.gz YWCZWGORPKRANG-UHFFFAOYSA-N 1 0 307.354 1.266 20 5 DDBDRO C[C@@H](C[NH+](C)C)NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000346229934 409870091 /nfs/dbraw/zinc/87/00/91/409870091.db2.gz SOBAOSOLUBAVQR-NSHDSACASA-N 1 0 317.349 1.460 20 5 DDBDRO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)CC1(O)CCOCC1 ZINC000332256082 410016593 /nfs/dbraw/zinc/01/65/93/410016593.db2.gz CSRCSZWNWJRGTM-UHFFFAOYSA-N 1 0 320.349 1.444 20 5 DDBDRO CCOc1cc(OC[C@H](O)C[N@H+](C)C2CC2)ccc1[N+](=O)[O-] ZINC000357452061 410049478 /nfs/dbraw/zinc/04/94/78/410049478.db2.gz KVLSWSWFCBFFIU-GFCCVEGCSA-N 1 0 310.350 1.827 20 5 DDBDRO CC[N@@H+]1CC[C@@H]2OCCN(CCc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000339393321 410154928 /nfs/dbraw/zinc/15/49/28/410154928.db2.gz FOCNWHNXAFSCCW-IRXDYDNUSA-N 1 0 319.405 1.932 20 5 DDBDRO COc1cc(CSc2nc(N)cc(N)[nH+]2)ccc1[N+](=O)[O-] ZINC000351821512 410264278 /nfs/dbraw/zinc/26/42/78/410264278.db2.gz JZWGWQDAFVWIKF-UHFFFAOYSA-N 1 0 307.335 1.850 20 5 DDBDRO Cc1c(NC(=O)CC[N@H+]2C[C@@H](C)[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC000351934583 410350807 /nfs/dbraw/zinc/35/08/07/410350807.db2.gz IMWYPIVTIAYWBR-YGRLFVJLSA-N 1 0 307.350 1.544 20 5 DDBDRO CCN1CC[NH+](CCCCNC(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000299085520 410514950 /nfs/dbraw/zinc/51/49/50/410514950.db2.gz YXWZUGSFOVURAF-UHFFFAOYSA-N 1 0 323.397 1.070 20 5 DDBDRO C[C@H]([NH2+][C@@H](C)[C@H]1CCOC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000337230279 410663815 /nfs/dbraw/zinc/66/38/15/410663815.db2.gz VTSRBBVFJCKHIZ-SRVKXCTJSA-N 1 0 307.350 1.936 20 5 DDBDRO COC(=O)COc1ccc(C[N@H+](C)[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000355748225 410673639 /nfs/dbraw/zinc/67/36/39/410673639.db2.gz QMHGTNZXBQCZOO-LBPRGKRZSA-N 1 0 324.333 1.367 20 5 DDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NC1CC[NH+](C2CC2)CC1 ZINC000301081875 410652025 /nfs/dbraw/zinc/65/20/25/410652025.db2.gz FZGWSQOIQOASGO-UHFFFAOYSA-N 1 0 318.377 1.993 20 5 DDBDRO Cc1cc(N2CCC([N@H+]3CCO[C@@H](C)C3)CC2)ncc1[N+](=O)[O-] ZINC000301446666 410723063 /nfs/dbraw/zinc/72/30/63/410723063.db2.gz RHXRAEZGTPOTBA-ZDUSSCGKSA-N 1 0 320.393 1.988 20 5 DDBDRO Cc1c(CC(=O)N2C[C@H](C)[N@@H+](C)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000330581317 410798853 /nfs/dbraw/zinc/79/88/53/410798853.db2.gz JBGSCRZQYMPNPB-NWDGAFQWSA-N 1 0 305.378 1.997 20 5 DDBDRO C[C@@H]1CN(CC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H](C)C[N@@H+]1C ZINC000330586591 410802097 /nfs/dbraw/zinc/80/20/97/410802097.db2.gz LTWHXYXSZQRZMB-NEPJUHHUSA-N 1 0 306.366 1.558 20 5 DDBDRO COc1c(C(=O)N2CC[C@H](C[NH+](C)C)C2)cccc1[N+](=O)[O-] ZINC000356114832 410841652 /nfs/dbraw/zinc/84/16/52/410841652.db2.gz ISLHFGWIZNNYJN-LLVKDONJSA-N 1 0 307.350 1.627 20 5 DDBDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CCn3cc([N+](=O)[O-])cn3)[C@@H]2C1 ZINC000344031147 410909027 /nfs/dbraw/zinc/90/90/27/410909027.db2.gz CMILMANXQZXGGA-CFVMTHIKSA-N 1 0 321.381 1.028 20 5 DDBDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3c(N)cccc3[N+](=O)[O-])C2)C1 ZINC000356294373 410950063 /nfs/dbraw/zinc/95/00/63/410950063.db2.gz SJMWREFAEPGLKD-MRXNPFEDSA-N 1 0 318.377 1.735 20 5 DDBDRO C[C@@H]1C[C@@H](CO)CC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000344133178 410981232 /nfs/dbraw/zinc/98/12/32/410981232.db2.gz PVXWHSINWAOKJG-RDBSUJKOSA-N 1 0 324.377 1.427 20 5 DDBDRO COCC[N@@H+]1CC[C@@H](Nc2cc(C(=O)OC)ccc2[N+](=O)[O-])C1 ZINC000360137188 411067693 /nfs/dbraw/zinc/06/76/93/411067693.db2.gz YQXJKAZAERFWMC-GFCCVEGCSA-N 1 0 323.349 1.514 20 5 DDBDRO CNc1nccc(C(=O)NCC[N@@H+]2CCCC2(C)C)c1[N+](=O)[O-] ZINC000579972207 422867194 /nfs/dbraw/zinc/86/71/94/422867194.db2.gz QSQAUFSTHVHJGD-UHFFFAOYSA-N 1 0 321.381 1.636 20 5 DDBDRO CC[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])c(-c2ccc(F)cn2)n1 ZINC000580346133 422921653 /nfs/dbraw/zinc/92/16/53/422921653.db2.gz XETCAUALIUVEJR-NSHDSACASA-N 1 0 323.328 1.305 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCc3ccsc3C2)c1 ZINC000132594135 196268993 /nfs/dbraw/zinc/26/89/93/196268993.db2.gz YVJJYHMUPZPFBU-GFCCVEGCSA-N 1 0 308.363 1.272 20 5 DDBDRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000134297459 196377889 /nfs/dbraw/zinc/37/78/89/196377889.db2.gz HRZONIXXDDLLAZ-NSHDSACASA-N 1 0 324.356 1.100 20 5 DDBDRO C[N@H+](CCNC(=O)c1cc([N+](=O)[O-])c[nH]1)Cc1ccc(F)cc1 ZINC000360898965 418543481 /nfs/dbraw/zinc/54/34/81/418543481.db2.gz ZSEAAYZIKKGCFG-UHFFFAOYSA-N 1 0 320.324 1.924 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CCC([NH+]3CCCC3)CC2)n1 ZINC000191799042 222109680 /nfs/dbraw/zinc/10/96/80/222109680.db2.gz XYBYPYJIQXOOSM-UHFFFAOYSA-N 1 0 321.381 1.512 20 5 DDBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000291016279 222073862 /nfs/dbraw/zinc/07/38/62/222073862.db2.gz UZRNJANFBAZVFL-LBPRGKRZSA-N 1 0 311.386 1.418 20 5 DDBDRO COc1cc(N2CCC([NH2+]CCO)CC2)c(F)cc1[N+](=O)[O-] ZINC000291035625 222088977 /nfs/dbraw/zinc/08/89/77/222088977.db2.gz ZHIQAIAVCKKMQH-UHFFFAOYSA-N 1 0 313.329 1.293 20 5 DDBDRO C[C@@H](CNc1ccc(C(N)=O)cc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000194074653 222170803 /nfs/dbraw/zinc/17/08/03/222170803.db2.gz WTPQSGBURKVXEQ-NSHDSACASA-N 1 0 306.366 1.838 20 5 DDBDRO Nc1ccc(N2CC[C@H](C[NH+]3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000367363028 418591731 /nfs/dbraw/zinc/59/17/31/418591731.db2.gz KLWLILNFUJFBJG-GFCCVEGCSA-N 1 0 306.366 1.336 20 5 DDBDRO CCOC1CC2(C1)CC[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC000367601682 418613764 /nfs/dbraw/zinc/61/37/64/418613764.db2.gz GVZREIODRASKTQ-WLYUNCDWSA-N 1 0 324.381 1.043 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@H](c3nc(C4CC4)no3)C2)c1 ZINC000375466477 418643523 /nfs/dbraw/zinc/64/35/23/418643523.db2.gz UTCJBFGAKJUZCT-NSHDSACASA-N 1 0 318.337 1.541 20 5 DDBDRO CC[NH+](CC)CC1CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000341808416 418626761 /nfs/dbraw/zinc/62/67/61/418626761.db2.gz HIVKGCDRBAGQGX-UHFFFAOYSA-N 1 0 308.386 1.525 20 5 DDBDRO C[C@H]1C[C@@H](Nc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CC[N@@H+]1C ZINC000342362610 418627735 /nfs/dbraw/zinc/62/77/35/418627735.db2.gz QRSDBNNVDMDYND-UWVGGRQHSA-N 1 0 317.349 2.138 20 5 DDBDRO COC(=O)[C@@]12CCC[C@@H]1C[N@H+](Cc1c([N+](=O)[O-])ncn1C)C2 ZINC000367796406 418635715 /nfs/dbraw/zinc/63/57/15/418635715.db2.gz RIMFLMHQOWPCCW-QMTHXVAHSA-N 1 0 308.338 1.103 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CCO[C@@H]3CC[N@@H+](C)C[C@@H]32)n1 ZINC000408028734 418782473 /nfs/dbraw/zinc/78/24/73/418782473.db2.gz FMMSCEYJTUAKGG-QWHCGFSZSA-N 1 0 306.366 1.516 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@H]2CCCCC2(F)F)c1 ZINC000390977503 418756688 /nfs/dbraw/zinc/75/66/88/418756688.db2.gz UIKGHHUGILKZFO-ZYHUDNBSSA-N 1 0 318.324 1.567 20 5 DDBDRO O=C(COC1CC[NH2+]CC1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000423201677 227398614 /nfs/dbraw/zinc/39/86/14/227398614.db2.gz PMGVPIFTYHFSPM-UHFFFAOYSA-N 1 0 305.334 1.253 20 5 DDBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCN3CCOC[C@H]3C2)cc1 ZINC000371827899 418820270 /nfs/dbraw/zinc/82/02/70/418820270.db2.gz BCUJNUMRAKMFRF-OAHLLOKOSA-N 1 0 321.377 1.380 20 5 DDBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000364922471 418822618 /nfs/dbraw/zinc/82/26/18/418822618.db2.gz XPQSYRDAPVZYSX-MNOVXSKESA-N 1 0 319.365 1.271 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1CN1CC[C@H](O)c2ccccc2C1 ZINC000364948568 418826767 /nfs/dbraw/zinc/82/67/67/418826767.db2.gz YSZHTBIVAGDOMN-AWEZNQCLSA-N 1 0 302.334 1.768 20 5 DDBDRO CC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C[NH+](Cc2ccccc2)C1 ZINC000365564748 418877192 /nfs/dbraw/zinc/87/71/92/418877192.db2.gz NQUKJWWCAIJFKQ-ZIAGYGMSSA-N 1 0 303.362 1.290 20 5 DDBDRO CN(c1ccc([N+](=O)[O-])cn1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000372604710 418887034 /nfs/dbraw/zinc/88/70/34/418887034.db2.gz CLCJHQLCKBNRMP-HNNXBMFYSA-N 1 0 319.409 1.595 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000365668958 418892656 /nfs/dbraw/zinc/89/26/56/418892656.db2.gz FRJSIHHGNJGEEN-QWHCGFSZSA-N 1 0 319.361 1.496 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@]3(CCC[C@H]3[NH3+])C2)c1 ZINC000372779228 418901297 /nfs/dbraw/zinc/90/12/97/418901297.db2.gz DSFVNFSJBXJPRP-ZBFHGGJFSA-N 1 0 319.361 1.947 20 5 DDBDRO [NH3+][C@@H]1CCC[C@@]12CCN(C(=O)Cc1cccc([N+](=O)[O-])c1)C2 ZINC000372783158 418901754 /nfs/dbraw/zinc/90/17/54/418901754.db2.gz LVKBLLPFZBASBZ-ZBFHGGJFSA-N 1 0 303.362 1.867 20 5 DDBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000417932380 419395816 /nfs/dbraw/zinc/39/58/16/419395816.db2.gz CZVGTCVJYSYVEE-KBPBESRZSA-N 1 0 318.377 1.388 20 5 DDBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000417931708 419396542 /nfs/dbraw/zinc/39/65/42/419396542.db2.gz CEHLUWWOVIGDOS-KGLIPLIRSA-N 1 0 318.377 1.388 20 5 DDBDRO COC1([C@@H](C)[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CCC1 ZINC000412021938 419564996 /nfs/dbraw/zinc/56/49/96/419564996.db2.gz OEQYWLFVUVQSGO-OLZOCXBDSA-N 1 0 324.377 1.882 20 5 DDBDRO O=C(N[C@H]1CCCC[NH2+]C1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000418361226 419741077 /nfs/dbraw/zinc/74/10/77/419741077.db2.gz CFCIHUYKOYSKGN-AWEZNQCLSA-N 1 0 318.377 1.805 20 5 DDBDRO O=C(NCC[C@H]1CCC[NH2+]1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000418553857 419873841 /nfs/dbraw/zinc/87/38/41/419873841.db2.gz UQCWBKPQIPIVSP-CQSZACIVSA-N 1 0 318.377 1.805 20 5 DDBDRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000418588950 419890149 /nfs/dbraw/zinc/89/01/49/419890149.db2.gz IIHJHNIZPDYVKW-OCCSQVGLSA-N 1 0 320.393 1.777 20 5 DDBDRO Cc1cc(OCC(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000431832375 229061592 /nfs/dbraw/zinc/06/15/92/229061592.db2.gz GASWBTRWRKLIQC-GFCCVEGCSA-N 1 0 319.361 1.635 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000299470093 229137578 /nfs/dbraw/zinc/13/75/78/229137578.db2.gz BHEQUHMMTZGVCE-QWHCGFSZSA-N 1 0 321.381 1.233 20 5 DDBDRO Cc1nn(CCC(=O)N(C2CC2)[C@H]2CC[NH2+]C2)c(C)c1[N+](=O)[O-] ZINC000435242486 229365804 /nfs/dbraw/zinc/36/58/04/229365804.db2.gz KYTFAKJXXPNDKG-ZDUSSCGKSA-N 1 0 321.381 1.151 20 5 DDBDRO CCC[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CC(N)=O ZINC000429164020 419980733 /nfs/dbraw/zinc/98/07/33/419980733.db2.gz BPCXGBOOWMRTGI-UHFFFAOYSA-N 1 0 308.338 1.121 20 5 DDBDRO O=C(NCC[NH2+]C1CCCCCC1)Nc1ccncc1[N+](=O)[O-] ZINC000415381723 420043967 /nfs/dbraw/zinc/04/39/67/420043967.db2.gz IXCBGDPMBUYNSG-UHFFFAOYSA-N 1 0 321.381 1.846 20 5 DDBDRO COc1ccc(NC(=O)NCC2=CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000415435475 420064922 /nfs/dbraw/zinc/06/49/22/420064922.db2.gz IUPBEZVEVQUWQK-UHFFFAOYSA-N 1 0 306.322 1.645 20 5 DDBDRO CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CC([NH3+])C1 ZINC000420325221 420210033 /nfs/dbraw/zinc/21/00/33/420210033.db2.gz CSZHAWVJBKSRJU-UHFFFAOYSA-N 1 0 312.757 1.608 20 5 DDBDRO O=C([C@@H]1C[NH2+]CCO1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423730946 420147230 /nfs/dbraw/zinc/14/72/30/420147230.db2.gz XFLDWAZLSYDDCJ-AWEZNQCLSA-N 1 0 305.334 1.074 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2C[NH2+]CCCO2)c1 ZINC000423738506 420151431 /nfs/dbraw/zinc/15/14/31/420151431.db2.gz HDLRMXDPHHPFEI-LBPRGKRZSA-N 1 0 323.349 1.102 20 5 DDBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC[C@@H](C[NH3+])C1 ZINC000430605985 420156555 /nfs/dbraw/zinc/15/65/55/420156555.db2.gz UCUVPKWSSUWJQE-RYUDHWBXSA-N 1 0 306.366 1.593 20 5 DDBDRO COC(=O)c1cc(C)nc(N[C@@H]2CCC[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000420234880 420161549 /nfs/dbraw/zinc/16/15/49/420161549.db2.gz HUKKQVWPZRGHBC-VHSXEESVSA-N 1 0 308.338 1.767 20 5 DDBDRO C[NH2+]C[C@@H]1CCCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000430643489 420168412 /nfs/dbraw/zinc/16/84/12/420168412.db2.gz LZHFIUZQXROTIL-ZDUSSCGKSA-N 1 0 320.393 1.489 20 5 DDBDRO CCOc1ccc(NC(=O)CN2CC[C@@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000430966506 420225291 /nfs/dbraw/zinc/22/52/91/420225291.db2.gz ODTKSUWOABKYCZ-NSHDSACASA-N 1 0 322.365 1.213 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CC[C@H]([NH3+])[C@@H]1C ZINC000420352488 420228905 /nfs/dbraw/zinc/22/89/05/420228905.db2.gz ALCRZJPSGDEYBD-NHCYSSNCSA-N 1 0 322.365 1.352 20 5 DDBDRO CCc1ccccc1[C@@H]([NH3+])CNC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000423938220 420276890 /nfs/dbraw/zinc/27/68/90/420276890.db2.gz ISSIYEGDTGPRBE-NSHDSACASA-N 1 0 303.322 1.310 20 5 DDBDRO CN(C(=O)CSc1ccc([N+](=O)[O-])cc1)[C@@H](C[NH3+])C1CC1 ZINC000423949330 420279950 /nfs/dbraw/zinc/27/99/50/420279950.db2.gz LXSCBURKGURJFW-ZDUSSCGKSA-N 1 0 309.391 1.883 20 5 DDBDRO COc1cc(C(=O)N(C)CC[NH3+])c([N+](=O)[O-])cc1OC(F)F ZINC000424013301 420306895 /nfs/dbraw/zinc/30/68/95/420306895.db2.gz WHBACWYOGZCRPJ-UHFFFAOYSA-N 1 0 319.264 1.236 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[NH2+][C@@H](C)[C@H]1C ZINC000436058946 420304145 /nfs/dbraw/zinc/30/41/45/420304145.db2.gz JLQURGLCTRCZPF-QWHCGFSZSA-N 1 0 320.393 1.914 20 5 DDBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NC[C@H]1CC[NH2+]C1 ZINC000440838587 420612972 /nfs/dbraw/zinc/61/29/72/420612972.db2.gz SWFSWXJWMKREND-QMMMGPOBSA-N 1 0 319.770 1.136 20 5 DDBDRO C[C@@H]1C[C@@H](C[NH3+])CN1[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000442757060 420707532 /nfs/dbraw/zinc/70/75/32/420707532.db2.gz GAHNKSDHRVTHBP-TYNCELHUSA-N 1 0 318.377 1.369 20 5 DDBDRO C[C@@H](CNc1cc(CN2CCOCC2)ccc1[N+](=O)[O-])[NH+](C)C ZINC000447803057 420801862 /nfs/dbraw/zinc/80/18/62/420801862.db2.gz PXXAOUWXLNDBOQ-ZDUSSCGKSA-N 1 0 322.409 1.789 20 5 DDBDRO COc1cc(C(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000449641867 421043241 /nfs/dbraw/zinc/04/32/41/421043241.db2.gz WBZUINBOBHJJBG-ZYHUDNBSSA-N 1 0 307.350 1.851 20 5 DDBDRO CNC(=O)C[C@@H](C)[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000449598698 421035877 /nfs/dbraw/zinc/03/58/77/421035877.db2.gz CVBJOMVFJSZQHK-MNOVXSKESA-N 1 0 322.365 1.426 20 5 DDBDRO [NH3+][C@@H]1CCC[C@H](CNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000449635815 421041427 /nfs/dbraw/zinc/04/14/27/421041427.db2.gz CHSPHBDNIFPSKI-VHSXEESVSA-N 1 0 317.349 1.718 20 5 DDBDRO Nc1c(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)cccc1[N+](=O)[O-] ZINC000449719299 421067496 /nfs/dbraw/zinc/06/74/96/421067496.db2.gz LFCZRLCNWGROKI-QMMMGPOBSA-N 1 0 306.244 1.187 20 5 DDBDRO C[C@H](C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)S(C)(=O)=O ZINC000560002329 421232081 /nfs/dbraw/zinc/23/20/81/421232081.db2.gz CLGXWSIKABQEAG-YGRLFVJLSA-N 1 0 312.391 1.995 20 5 DDBDRO C[C@@H]1CC[N@H+](CCNC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000525291526 421285308 /nfs/dbraw/zinc/28/53/08/421285308.db2.gz IIPWSALUPBIWIJ-GFCCVEGCSA-N 1 0 307.350 1.432 20 5 DDBDRO O=C(CC[NH2+]CCn1cccn1)Nc1ccccc1[N+](=O)[O-] ZINC000562741905 421408709 /nfs/dbraw/zinc/40/87/09/421408709.db2.gz KOVZNMDXQQEMTD-UHFFFAOYSA-N 1 0 303.322 1.410 20 5 DDBDRO O=[N+]([O-])c1ncn(CCC[NH+]2CCN(c3ccccc3)CC2)n1 ZINC000505525287 421419123 /nfs/dbraw/zinc/41/91/23/421419123.db2.gz BOROOMBMODQRAV-UHFFFAOYSA-N 1 0 316.365 1.399 20 5 DDBDRO C[C@H](C(=O)N(C)CCc1ccccc1[N+](=O)[O-])[NH+]1CC(C)C1 ZINC000514871808 421462031 /nfs/dbraw/zinc/46/20/31/421462031.db2.gz KMAGTTILCKSINF-CYBMUJFWSA-N 1 0 305.378 1.936 20 5 DDBDRO CO[C@@H](C)CC[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000515467034 421505248 /nfs/dbraw/zinc/50/52/48/421505248.db2.gz KLHQKZJBZIYOMK-NSHDSACASA-N 1 0 316.379 1.383 20 5 DDBDRO CCS(=O)(=O)CCC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000515498963 421506042 /nfs/dbraw/zinc/50/60/42/421506042.db2.gz LXAJLJZVSQKAQD-CYBMUJFWSA-N 1 0 312.391 1.997 20 5 DDBDRO CCC[NH2+][C@@H](C)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000564081040 421567468 /nfs/dbraw/zinc/56/74/68/421567468.db2.gz XHOQYDCFFHEIDX-LBPRGKRZSA-N 1 0 321.381 1.027 20 5 DDBDRO COCC[N@@H+]1CC[C@H](NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000516225690 421535007 /nfs/dbraw/zinc/53/50/07/421535007.db2.gz ATCQPMDXXIVKGQ-OCCSQVGLSA-N 1 0 321.377 1.535 20 5 DDBDRO CC(C)[C@@H](CO)C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000517235963 421603712 /nfs/dbraw/zinc/60/37/12/421603712.db2.gz CGCHZHJVACEJJZ-GFCCVEGCSA-N 1 0 309.366 1.778 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000522167987 421818005 /nfs/dbraw/zinc/81/80/05/421818005.db2.gz QVUZWHFGTSRPCU-GFCCVEGCSA-N 1 0 306.366 1.758 20 5 DDBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])cn1C)[NH+]1CCC(C)CC1 ZINC000520868750 421766963 /nfs/dbraw/zinc/76/69/63/421766963.db2.gz UZVBJEQVAJKOKG-LBPRGKRZSA-N 1 0 308.382 1.784 20 5 DDBDRO Cc1c(C[NH2+]C[C@H](O)COC2CCOCC2)cccc1[N+](=O)[O-] ZINC000521031132 421770560 /nfs/dbraw/zinc/77/05/60/421770560.db2.gz RIDUMRRKTLWQQC-AWEZNQCLSA-N 1 0 324.377 1.549 20 5 DDBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2ccnc(NC)c2[N+](=O)[O-])C1 ZINC000557635473 421782275 /nfs/dbraw/zinc/78/22/75/421782275.db2.gz JYQZLNDZVFSZRH-LLVKDONJSA-N 1 0 321.381 1.588 20 5 DDBDRO CCOc1cc(CN2C[C@H](O)[C@@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000573016327 421899659 /nfs/dbraw/zinc/89/96/59/421899659.db2.gz OBWCLAVLZLMYCB-KBPBESRZSA-N 1 0 309.366 1.100 20 5 DDBDRO CS(=O)(=O)CC1(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000583451482 422169758 /nfs/dbraw/zinc/16/97/58/422169758.db2.gz WHESYDPWIKSCQZ-CYBMUJFWSA-N 1 0 324.402 1.997 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@H]1CCSC1 ZINC000583560501 422185411 /nfs/dbraw/zinc/18/54/11/422185411.db2.gz OWDFBPRAHNUBFE-VXGBXAGGSA-N 1 0 312.391 1.677 20 5 DDBDRO Cc1c(C[NH3+])c(NC(=O)c2cc([N+](=O)[O-])c(C)cc2C)nn1C ZINC000595960984 422359249 /nfs/dbraw/zinc/35/92/49/422359249.db2.gz ZOAVPOCZJGRSTB-UHFFFAOYSA-N 1 0 317.349 1.965 20 5 DDBDRO Nc1ccc(NCC2CC[NH+](CC3CC3)CC2)nc1[N+](=O)[O-] ZINC000596561408 422379741 /nfs/dbraw/zinc/37/97/41/422379741.db2.gz ANHIOQGTYHWFCK-UHFFFAOYSA-N 1 0 305.382 2.106 20 5 DDBDRO CNc1ccc(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000314828410 271014113 /nfs/dbraw/zinc/01/41/13/271014113.db2.gz FPZUMGHRGAJKMC-LBPRGKRZSA-N 1 0 306.366 1.803 20 5 DDBDRO CO[C@@H]1CCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000322012028 271027337 /nfs/dbraw/zinc/02/73/37/271027337.db2.gz BCCUSTMEFRYXFR-ICWYTKJFSA-N 1 0 319.361 1.573 20 5 DDBDRO CC[N@@H+]1CC[C@@H](N(C)CCn2cc([N+](=O)[O-])ccc2=O)C[C@@H]1C ZINC000341577688 271126179 /nfs/dbraw/zinc/12/61/79/271126179.db2.gz RYVFUWJXDHBKGM-UONOGXRCSA-N 1 0 322.409 1.561 20 5 DDBDRO CC[N@@H+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000341776957 271209702 /nfs/dbraw/zinc/20/97/02/271209702.db2.gz OHZWGOQWANFPEE-LLVKDONJSA-N 1 0 309.341 1.829 20 5 DDBDRO CC1(C)C[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC(C)(C)C1 ZINC000342356332 271386243 /nfs/dbraw/zinc/38/62/43/271386243.db2.gz PTAVEGRIBLGLJI-ZDUSSCGKSA-N 1 0 310.398 1.910 20 5 DDBDRO C[N@@H+]1CCCC[C@H]1CN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000344409784 272017262 /nfs/dbraw/zinc/01/72/62/272017262.db2.gz AMZHUCPXHGRYQC-HNNXBMFYSA-N 1 0 319.409 1.596 20 5 DDBDRO CC[NH+]1C[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])cnc2C)[C@H](C)C1 ZINC000344426751 272023547 /nfs/dbraw/zinc/02/35/47/272023547.db2.gz PUJQHSUKLGSAPL-GHMZBOCLSA-N 1 0 306.366 1.853 20 5 DDBDRO C[C@H](CCNC(=O)c1ccc([N+](=O)[O-])n1C)[NH+]1CCCCC1 ZINC000344946630 272143916 /nfs/dbraw/zinc/14/39/16/272143916.db2.gz RCWQMWBOQOTSEH-GFCCVEGCSA-N 1 0 308.382 1.928 20 5 DDBDRO COc1cc(CN2C[C@@H](C)[NH2+][C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000347207132 272629539 /nfs/dbraw/zinc/62/95/39/272629539.db2.gz MJRGBXCTGOQPDK-PHIMTYICSA-N 1 0 309.366 1.794 20 5 DDBDRO CNc1nc(C(=O)NCC2([NH+](C)C)CCC2)ccc1[N+](=O)[O-] ZINC000456019446 273975491 /nfs/dbraw/zinc/97/54/91/273975491.db2.gz GCBFYBYDJPQXMR-UHFFFAOYSA-N 1 0 307.354 1.246 20 5 DDBDRO CNc1nc(C(=O)NC[C@H](CC(C)C)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000455637729 273975636 /nfs/dbraw/zinc/97/56/36/273975636.db2.gz JNOYQCUJUOIZDF-NSHDSACASA-N 1 0 323.397 1.738 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCO)CC2)c([N+](=O)[O-])c1 ZINC000270492928 275035986 /nfs/dbraw/zinc/03/59/86/275035986.db2.gz DKEYBIAPDJQFPI-UHFFFAOYSA-N 1 0 310.310 1.054 20 5 DDBDRO CCCN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000261953511 276255595 /nfs/dbraw/zinc/25/55/95/276255595.db2.gz NQRMOUJYDFVOCX-ZDUSSCGKSA-N 1 0 306.366 1.268 20 5 DDBDRO CCOc1cccc(N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000273152705 276381209 /nfs/dbraw/zinc/38/12/09/276381209.db2.gz IGQHTGFELDVGAI-STQMWFEESA-N 1 0 323.393 1.885 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC[C@@H](C[NH3+])C2)c1 ZINC000420414422 278743923 /nfs/dbraw/zinc/74/39/23/278743923.db2.gz GVUJPSHEDSUHON-NSHDSACASA-N 1 0 313.379 1.181 20 5 DDBDRO O=C(C[C@H]1CC[NH2+]C1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000174019049 279795031 /nfs/dbraw/zinc/79/50/31/279795031.db2.gz SYRBWYHCNQSAAQ-CYBMUJFWSA-N 1 0 318.377 1.243 20 5 DDBDRO CCS(=O)(=O)C[C@H](C)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449138124 280005181 /nfs/dbraw/zinc/00/51/81/280005181.db2.gz HGWKBIXLHSDJMH-NEPJUHHUSA-N 1 0 314.407 1.939 20 5 DDBDRO Cc1c(C(=O)N(C)[C@@H]2CC[NH2+]C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000179096478 280204000 /nfs/dbraw/zinc/20/40/00/280204000.db2.gz KTHQIPMGRRTUDJ-SECBINFHSA-N 1 0 308.294 1.245 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[C@H](C[NH3+])C1 ZINC000178903436 280656040 /nfs/dbraw/zinc/65/60/40/280656040.db2.gz QXBZPRJFQZXMLK-LLVKDONJSA-N 1 0 313.379 1.181 20 5 DDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+]C2CCCC2)cc1 ZINC000065977953 280923167 /nfs/dbraw/zinc/92/31/67/280923167.db2.gz HGWRVOBSAHLWDH-UHFFFAOYSA-N 1 0 313.379 1.405 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)CC[NH+]1CCCC1 ZINC000089899613 281027737 /nfs/dbraw/zinc/02/77/37/281027737.db2.gz SEVRQHMOCSPFQM-UHFFFAOYSA-N 1 0 320.393 1.869 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C[C@@H](C)O)C(C)C ZINC000107043106 281261352 /nfs/dbraw/zinc/26/13/52/281261352.db2.gz RWWHFUCXUNISPY-GFCCVEGCSA-N 1 0 309.366 1.933 20 5 DDBDRO COc1cccc(N2CC[N@H+](CCO)C(C)(C)C2)c1[N+](=O)[O-] ZINC000302570132 295305657 /nfs/dbraw/zinc/30/56/57/295305657.db2.gz YQKVHBVYVMOYJV-UHFFFAOYSA-N 1 0 309.366 1.496 20 5 DDBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)NCC[NH3+])cc2[N+](=O)[O-])C1 ZINC000237524325 297362576 /nfs/dbraw/zinc/36/25/76/297362576.db2.gz QOOOEVAZLQJDJN-TXEJJXNPSA-N 1 0 320.393 1.766 20 5 DDBDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1c([N+](=O)[O-])cnn1C ZINC000163257848 298207401 /nfs/dbraw/zinc/20/74/01/298207401.db2.gz BAQGIQFPDOKHEC-LLVKDONJSA-N 1 0 311.386 1.569 20 5 DDBDRO CNc1c(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000322068699 298259564 /nfs/dbraw/zinc/25/95/64/298259564.db2.gz WIDLFFWMHAHJKK-LBPRGKRZSA-N 1 0 318.377 1.947 20 5 DDBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000573611514 304603932 /nfs/dbraw/zinc/60/39/32/304603932.db2.gz TYJUKWAQCCUXMY-ZJUUUORDSA-N 1 0 318.337 1.031 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@@H](Oc3ccccc3)C2)c1 ZINC000363170891 300225884 /nfs/dbraw/zinc/22/58/84/300225884.db2.gz PGSSJMWTZHYTPP-OAHLLOKOSA-N 1 0 302.334 1.945 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CCC[C@H]2CCOC2)c1 ZINC000574512521 304658873 /nfs/dbraw/zinc/65/88/73/304658873.db2.gz PRILWZPTDBFIDI-DZGCQCFKSA-N 1 0 324.377 1.741 20 5 DDBDRO O=[N+]([O-])c1ccc(CN2CC[NH+]3CCC2CC3)c([N+](=O)[O-])c1 ZINC000368044108 300939187 /nfs/dbraw/zinc/93/91/87/300939187.db2.gz RBCJQCHYTXNGLS-UHFFFAOYSA-N 1 0 306.322 1.783 20 5 DDBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@@H](n3cncn3)C2)c1 ZINC000368412119 301022465 /nfs/dbraw/zinc/02/24/65/301022465.db2.gz RCNQNIBISWBXIF-CYBMUJFWSA-N 1 0 303.322 1.512 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC23CCOCC3)c1 ZINC000368893132 301102545 /nfs/dbraw/zinc/10/25/45/301102545.db2.gz AQHOFBBJLJFWFB-CQSZACIVSA-N 1 0 322.361 1.589 20 5 DDBDRO C[C@H](CO)[N@@H+]1CCCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000368950328 301108991 /nfs/dbraw/zinc/10/89/91/301108991.db2.gz MEDIJGQWJUOIKM-CQSZACIVSA-N 1 0 323.393 1.362 20 5 DDBDRO Cc1nn(CCC(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)c(C)c1[N+](=O)[O-] ZINC000373053709 301654781 /nfs/dbraw/zinc/65/47/81/301654781.db2.gz UKNLBYNLZGFOGF-QWHCGFSZSA-N 1 0 321.381 1.009 20 5 DDBDRO COCC[C@]1(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC[NH2+]C1 ZINC000377150843 302147816 /nfs/dbraw/zinc/14/78/16/302147816.db2.gz HYYNOMVQVMKMQT-OAHLLOKOSA-N 1 0 307.350 1.858 20 5 DDBDRO CC(C)(CC[NH3+])NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000397191839 302352417 /nfs/dbraw/zinc/35/24/17/302352417.db2.gz OZHNMSLPHCBVLP-UHFFFAOYSA-N 1 0 321.786 1.654 20 5 DDBDRO O=[N+]([O-])c1cccnc1N1CC[NH+](C[C@@H]2CCCC[C@H]2O)CC1 ZINC000517376148 302812339 /nfs/dbraw/zinc/81/23/39/302812339.db2.gz JAOKSGDUEQFAAW-DZGCQCFKSA-N 1 0 320.393 1.663 20 5 DDBDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)c1cc([N+](=O)[O-])cn1C ZINC000521672132 302878941 /nfs/dbraw/zinc/87/89/41/302878941.db2.gz OPMSHGIVHKSCGB-VXGBXAGGSA-N 1 0 308.382 1.926 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000531726630 303253183 /nfs/dbraw/zinc/25/31/83/303253183.db2.gz QXIZQSMBMSFAAQ-DGCLKSJQSA-N 1 0 306.366 1.490 20 5 DDBDRO C[C@H](O)[C@@H]1CCC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000533539687 303320435 /nfs/dbraw/zinc/32/04/35/303320435.db2.gz GTLRIYNNDSIICG-GZBFAFLISA-N 1 0 324.377 1.427 20 5 DDBDRO COCCN(CC[NH+](C)C)C(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000558690602 303779488 /nfs/dbraw/zinc/77/94/88/303779488.db2.gz LTFJGCSHPNZXMZ-ZDUSSCGKSA-N 1 0 323.393 1.735 20 5 DDBDRO CCn1nccc1CC[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000367254243 307089856 /nfs/dbraw/zinc/08/98/56/307089856.db2.gz WALWFYGIZUNUBV-AWEZNQCLSA-N 1 0 318.381 1.887 20 5 DDBDRO CCOc1cc(C[N@@H+]2CC[C@H](CC(N)=O)C2)ccc1[N+](=O)[O-] ZINC000368572164 307105593 /nfs/dbraw/zinc/10/55/93/307105593.db2.gz GFKZPIUPSHKIQD-GFCCVEGCSA-N 1 0 307.350 1.691 20 5 DDBDRO O=C(CC[N@H+]1C[C@@H](O)C2(CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000372297512 307167914 /nfs/dbraw/zinc/16/79/14/307167914.db2.gz VKEVZPPGVCPWTH-CYBMUJFWSA-N 1 0 305.334 1.380 20 5 DDBDRO C[C@@H]1C[C@]2(CCO1)C[N@@H+](CCn1ccc([N+](=O)[O-])n1)C[C@@H](C)O2 ZINC000374013400 307199536 /nfs/dbraw/zinc/19/95/36/307199536.db2.gz HRJSDBHLFONXHR-UMVBOHGHSA-N 1 0 324.381 1.450 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCCC[C@H](CO)C2)c1 ZINC000374047151 307200431 /nfs/dbraw/zinc/20/04/31/307200431.db2.gz ANYIWNKVDZIZNQ-DZGCQCFKSA-N 1 0 324.377 1.429 20 5 DDBDRO COc1cc(S(=O)(=O)N[C@@H](C)C[C@@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000516570502 307417914 /nfs/dbraw/zinc/41/79/14/307417914.db2.gz SIYNDRDGBPSOJB-BDAKNGLRSA-N 1 0 317.367 1.008 20 5 DDBDRO CC[NH+](CC)CC[C@H](CO)NC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000535835742 307660877 /nfs/dbraw/zinc/66/08/77/307660877.db2.gz NGJPWYFNYHHWPH-CYBMUJFWSA-N 1 0 323.393 1.726 20 5 DDBDRO CCC[C@@H](C)[C@@H](CO)[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000564090222 307990929 /nfs/dbraw/zinc/99/09/29/307990929.db2.gz MVTMJRUKAYPYOT-IUODEOHRSA-N 1 0 323.393 1.944 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCN(S(C)(=O)=O)C1 ZINC000565085323 308019389 /nfs/dbraw/zinc/01/93/89/308019389.db2.gz NRRNTYIKPIHXNM-LBPRGKRZSA-N 1 0 313.379 1.027 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@]2(O)C[NH+]3CCC2CC3)c1 ZINC000565196689 308024954 /nfs/dbraw/zinc/02/49/54/308024954.db2.gz LJENIQNSWRWVRW-INIZCTEOSA-N 1 0 319.361 1.090 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CCCn1cccn1 ZINC000565384443 308029094 /nfs/dbraw/zinc/02/90/94/308029094.db2.gz IIURUUOZTLKVIA-CYBMUJFWSA-N 1 0 320.349 1.211 20 5 DDBDRO CC[C@@H](C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)OC ZINC000568621757 308124917 /nfs/dbraw/zinc/12/49/17/308124917.db2.gz HKTQINRGRRKETL-LBPRGKRZSA-N 1 0 316.379 1.383 20 5 DDBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000577851665 308418606 /nfs/dbraw/zinc/41/86/06/308418606.db2.gz HOZYMJCROVSTPF-BDAKNGLRSA-N 1 0 318.333 1.704 20 5 DDBDRO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000578139848 308440719 /nfs/dbraw/zinc/44/07/19/308440719.db2.gz FHWSJKXIROYGED-VXGBXAGGSA-N 1 0 307.350 1.702 20 5 DDBDRO C[C@H]1CC2(CN1C(=O)c1cc([N+](=O)[O-])cn1C)CC[NH2+]CC2 ZINC000579111072 308507844 /nfs/dbraw/zinc/50/78/44/308507844.db2.gz VMVLUKUOOQVMTF-NSHDSACASA-N 1 0 306.366 1.538 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000382482722 325745700 /nfs/dbraw/zinc/74/57/00/325745700.db2.gz XOMGIOGIROLBDC-MNOVXSKESA-N 1 0 313.379 1.309 20 5 DDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)C1(C[NH3+])CCC1 ZINC000385362256 325754228 /nfs/dbraw/zinc/75/42/28/325754228.db2.gz WGLQZQHNKQMWHQ-UHFFFAOYSA-N 1 0 313.379 1.405 20 5 DDBDRO COc1cccc(C(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)c1[N+](=O)[O-] ZINC000584451939 337341474 /nfs/dbraw/zinc/34/14/74/337341474.db2.gz HMMGGYBVYLCLSK-CMPLNLGQSA-N 1 0 305.334 1.380 20 5 DDBDRO O=C(NCCC[C@H]1CCC[NH2+]1)NCc1cccc([N+](=O)[O-])c1 ZINC000584458923 337343869 /nfs/dbraw/zinc/34/38/69/337343869.db2.gz AWGVILNXTVRJNY-CYBMUJFWSA-N 1 0 306.366 1.926 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000307818054 484376427 /nfs/dbraw/zinc/37/64/27/484376427.db2.gz MQQYMGCYAJGBPG-VIFPVBQESA-N 1 0 305.256 1.913 20 5 DDBDRO Cc1c(NC(=O)CCN2CC[NH2+][C@H](C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000436057799 533899446 /nfs/dbraw/zinc/89/94/46/533899446.db2.gz HDMXBNIZBVQMFH-OLZOCXBDSA-N 1 0 320.393 1.914 20 5 DDBDRO COc1ccc(NC(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000415452148 534101550 /nfs/dbraw/zinc/10/15/50/534101550.db2.gz XZXZVEATWPMXLA-GFCCVEGCSA-N 1 0 320.349 1.962 20 5 DDBDRO C[C@@H]([N@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C(C)(C)O ZINC000295148816 534284525 /nfs/dbraw/zinc/28/45/25/534284525.db2.gz LUOYGPBOOBDDFG-LLVKDONJSA-N 1 0 321.377 1.575 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCCN1CC[NH2+]CC1 ZINC000415293186 534321719 /nfs/dbraw/zinc/32/17/19/534321719.db2.gz IMZNKPAXZLDECV-UHFFFAOYSA-N 1 0 321.381 1.238 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000415659862 534337531 /nfs/dbraw/zinc/33/75/31/534337531.db2.gz WIBVXUFFMODQPM-QWRGUYRKSA-N 1 0 320.349 1.228 20 5 DDBDRO Cc1ccnc(NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)c1[N+](=O)[O-] ZINC000301244341 534401735 /nfs/dbraw/zinc/40/17/35/534401735.db2.gz ACKJJHHQAOAWTR-LBPRGKRZSA-N 1 0 321.381 1.298 20 5 DDBDRO Cc1nc(NCCCC[NH+]2C[C@@H](C)O[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000297616130 534488225 /nfs/dbraw/zinc/48/82/25/534488225.db2.gz VZNVLUZVPQHFFN-VXGBXAGGSA-N 1 0 323.397 1.995 20 5 DDBDRO Cc1c(C(=O)NCC2CC[NH+](CCO)CC2)cccc1[N+](=O)[O-] ZINC000160611555 525607892 /nfs/dbraw/zinc/60/78/92/525607892.db2.gz MGWVDIZJYMTMDY-UHFFFAOYSA-N 1 0 321.377 1.337 20 5 DDBDRO O=[N+]([O-])c1cc2c(ncnc2NCC[NH+]2CCC(O)CC2)s1 ZINC000295928440 534880391 /nfs/dbraw/zinc/88/03/91/534880391.db2.gz GZKFZAHJHCSCSQ-UHFFFAOYSA-N 1 0 323.378 1.468 20 5 DDBDRO O=C(N[C@H]1CCC[N@@H+](C2CCCCC2)C1)c1[nH]ncc1[N+](=O)[O-] ZINC000154597721 527024930 /nfs/dbraw/zinc/02/49/30/527024930.db2.gz IDWQGOLMSMBWTE-NSHDSACASA-N 1 0 321.381 1.845 20 5 DDBDRO CCOC(=O)c1cc(C(=O)N(C)[C@@H](C)C[NH3+])cc([N+](=O)[O-])c1 ZINC000422832950 528136580 /nfs/dbraw/zinc/13/65/80/528136580.db2.gz LVQZZTBCVBCSTG-VIFPVBQESA-N 1 0 309.322 1.191 20 5 DDBDRO CCOC(=O)c1cc(C(=O)NC[C@@H]([NH3+])CC)cc([N+](=O)[O-])c1 ZINC000423680138 528147503 /nfs/dbraw/zinc/14/75/03/528147503.db2.gz MXDPYNMGSCAMQJ-NSHDSACASA-N 1 0 309.322 1.239 20 5 DDBDRO CC[NH+](CC)CCO[C@H]1CCN(c2ncc([N+](=O)[O-])c(C)n2)C1 ZINC000450365068 528148393 /nfs/dbraw/zinc/14/83/93/528148393.db2.gz MXPINYZLFQUKPH-ZDUSSCGKSA-N 1 0 323.397 1.630 20 5 DDBDRO CC(C)[C@@H](C(=O)NCCNc1ccccc1[N+](=O)[O-])[C@@H](C)[NH3+] ZINC000422935976 528361791 /nfs/dbraw/zinc/36/17/91/528361791.db2.gz LLJONKDJGLXJRH-BXUZGUMPSA-N 1 0 308.382 1.742 20 5 DDBDRO CC(C)[C@@H]([NH3+])CNC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000429134596 528516702 /nfs/dbraw/zinc/51/67/02/528516702.db2.gz KXJFIYZNLJBGRL-NSHDSACASA-N 1 0 323.349 1.008 20 5 DDBDRO CCCc1n[nH]c(C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)c1[N+](=O)[O-] ZINC000425061080 528544457 /nfs/dbraw/zinc/54/44/57/528544457.db2.gz XWYHJDRSEWJRDU-CMPLNLGQSA-N 1 0 321.381 1.437 20 5 DDBDRO CC1(C)CCC[NH2+][C@H]1C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000422939075 528949361 /nfs/dbraw/zinc/94/93/61/528949361.db2.gz QRNNQQDFFZYPJH-AWEZNQCLSA-N 1 0 320.393 1.901 20 5 DDBDRO CC[C@@H]([NH2+]C[C@@H](O)COCCOC)c1cccc([N+](=O)[O-])c1 ZINC000295006336 529174749 /nfs/dbraw/zinc/17/47/49/529174749.db2.gz OTMDUFWOXRYANU-HUUCEWRRSA-N 1 0 312.366 1.659 20 5 DDBDRO C[NH+](C)CC(C)(C)CNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC000821583494 607161372 /nfs/dbraw/zinc/16/13/72/607161372.db2.gz XQAYDQHSWOWTPC-UHFFFAOYSA-N 1 0 320.357 1.170 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1CN1CC[NH+](CCCCO)CC1 ZINC000797518952 700012971 /nfs/dbraw/zinc/01/29/71/700012971.db2.gz PJAVCTIDTYEQNV-UHFFFAOYSA-N 1 0 323.393 1.494 20 5 DDBDRO C[C@@H](CC(N)=O)[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000162234795 697327116 /nfs/dbraw/zinc/32/71/16/697327116.db2.gz WBVSMWALPKOCMO-ZETCQYMHSA-N 1 0 316.155 1.711 20 5 DDBDRO [NH3+]C[C@H]1CCN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000178560383 697425972 /nfs/dbraw/zinc/42/59/72/697425972.db2.gz FJQSYUYQSDEICS-LLVKDONJSA-N 1 0 315.333 1.201 20 5 DDBDRO C[NH2+]C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CC1 ZINC000179136408 697434085 /nfs/dbraw/zinc/43/40/85/697434085.db2.gz HQEOHNKCAGYFJX-UHFFFAOYSA-N 1 0 306.366 1.485 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH+]2CC(C3CCOCC3)C2)cc1 ZINC000799998805 700179891 /nfs/dbraw/zinc/17/98/91/700179891.db2.gz LZBCIFGXIXPLCJ-MRXNPFEDSA-N 1 0 306.362 1.987 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCC[C@@H](OCCO)C2)cc1 ZINC000776585045 698122150 /nfs/dbraw/zinc/12/21/50/698122150.db2.gz RQPJJGMQMHEHPO-HUUCEWRRSA-N 1 0 310.350 1.102 20 5 DDBDRO O=C1CC2(CN1)CC[NH+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000776589198 698123011 /nfs/dbraw/zinc/12/30/11/698123011.db2.gz QASLLYROGGUDRN-CQSZACIVSA-N 1 0 319.361 1.230 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH+]2CCC(OCCO)CC2)cc1 ZINC000776592935 698124100 /nfs/dbraw/zinc/12/41/00/698124100.db2.gz DDAZZAVXJXTHLO-OAHLLOKOSA-N 1 0 310.350 1.102 20 5 DDBDRO NC(=O)CCC1CC[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776595801 698124780 /nfs/dbraw/zinc/12/47/80/698124780.db2.gz ATTICPSFORYWOD-HNNXBMFYSA-N 1 0 321.377 1.606 20 5 DDBDRO NC(=O)C[C@@H]1CCCC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750053815 700201388 /nfs/dbraw/zinc/20/13/88/700201388.db2.gz UPLYFANXJRGWGU-GXTWGEPZSA-N 1 0 307.350 1.358 20 5 DDBDRO C[C@H]1CN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC[N@@H+]1C ZINC000782525592 698734418 /nfs/dbraw/zinc/73/44/18/698734418.db2.gz YPTXGEYFYZZIBP-NSHDSACASA-N 1 0 324.356 1.698 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@H](O)c1ccco1 ZINC000783910604 698891129 /nfs/dbraw/zinc/89/11/29/698891129.db2.gz WFUMKVQBGDWYTD-YPMHNXCESA-N 1 0 322.317 1.251 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)c1 ZINC000424027110 699147763 /nfs/dbraw/zinc/14/77/63/699147763.db2.gz LTRAHYPLUMTNGY-HNNXBMFYSA-N 1 0 305.334 1.572 20 5 DDBDRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000731455910 699529141 /nfs/dbraw/zinc/52/91/41/699529141.db2.gz XGRXQMVBAAUZTA-JSGCOSHPSA-N 1 0 323.324 1.327 20 5 DDBDRO CC(C)[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1nncn1C ZINC000796185093 699918106 /nfs/dbraw/zinc/91/81/06/699918106.db2.gz GCXOJIQGVOAQGQ-KGLIPLIRSA-N 1 0 319.365 1.744 20 5 DDBDRO C[NH+](C)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000801900975 700351459 /nfs/dbraw/zinc/35/14/59/700351459.db2.gz UWVSRBMEUAHLCW-SECBINFHSA-N 1 0 310.329 1.340 20 5 DDBDRO C[NH+](C)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000801900976 700351505 /nfs/dbraw/zinc/35/15/05/700351505.db2.gz UWVSRBMEUAHLCW-VIFPVBQESA-N 1 0 310.329 1.340 20 5 DDBDRO C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC[N@@H+]1C ZINC000801911959 700352652 /nfs/dbraw/zinc/35/26/52/700352652.db2.gz WNCUUOLZMFWUOS-RKDXNWHRSA-N 1 0 310.329 1.529 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CCC3OCCCO3)CC2)cn1 ZINC000754638930 700515625 /nfs/dbraw/zinc/51/56/25/700515625.db2.gz LDROHCVARSSUMJ-UHFFFAOYSA-N 1 0 322.365 1.265 20 5 DDBDRO COC(=O)C[C@@]1([NH2+]CCc2ccc([N+](=O)[O-])cc2)CCCOC1 ZINC000770707878 701291380 /nfs/dbraw/zinc/29/13/80/701291380.db2.gz NZDOREDPDZWFGZ-INIZCTEOSA-N 1 0 322.361 1.839 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](CCO)C1CC1 ZINC000771806284 701331721 /nfs/dbraw/zinc/33/17/21/701331721.db2.gz VEPGHMNCYXTXOI-AWEZNQCLSA-N 1 0 307.350 1.592 20 5 DDBDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839528159 701725284 /nfs/dbraw/zinc/72/52/84/701725284.db2.gz IOUCINADZOZACT-HUUCEWRRSA-N 1 0 305.378 1.808 20 5 DDBDRO COc1cccc(CN(CC[NH+](C)C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC000839734232 701802875 /nfs/dbraw/zinc/80/28/75/701802875.db2.gz QOJQGVLSYCKVFV-HUUCEWRRSA-N 1 0 321.377 1.251 20 5 DDBDRO C[C@@]([NH3+])(C(=O)NC[C@@H]1CCCS1)c1cccc([N+](=O)[O-])c1 ZINC000867945306 701846694 /nfs/dbraw/zinc/84/66/94/701846694.db2.gz TXNQARWSLZRGSI-JSGCOSHPSA-N 1 0 309.391 1.781 20 5 DDBDRO C[N@@H+]1C[C@H]2CCN(C(=O)Cc3cccc(F)c3[N+](=O)[O-])[C@H]2C1 ZINC000868519334 702173861 /nfs/dbraw/zinc/17/38/61/702173861.db2.gz AOSYIMLSSGVSQW-YPMHNXCESA-N 1 0 307.325 1.439 20 5 DDBDRO C[C@@H](NC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H](C)[NH3+] ZINC000841255893 702404466 /nfs/dbraw/zinc/40/44/66/702404466.db2.gz PQLBNQBXQHOXPH-NKWVEPMBSA-N 1 0 314.729 1.039 20 5 DDBDRO [NH3+]CC1(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000817905695 702516022 /nfs/dbraw/zinc/51/60/22/702516022.db2.gz MJMWPXCQHLAHSG-UHFFFAOYSA-N 1 0 318.377 1.372 20 5 DDBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H]1CCCNC1=O ZINC000866373768 706684299 /nfs/dbraw/zinc/68/42/99/706684299.db2.gz RZYIPZKYNBCTOM-ZYHUDNBSSA-N 1 0 309.341 1.781 20 5 DDBDRO COCC[C@@H](CO)[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866352137 706679184 /nfs/dbraw/zinc/67/91/84/706679184.db2.gz HMXYMAWPOYOEAD-MFKMUULPSA-N 1 0 300.330 1.652 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000818016905 702555082 /nfs/dbraw/zinc/55/50/82/702555082.db2.gz RDGLCNFYRZAKIK-OAHLLOKOSA-N 1 0 323.324 1.467 20 5 DDBDRO C[C@H]([NH3+])[C@H](C)NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000841857894 702590820 /nfs/dbraw/zinc/59/08/20/702590820.db2.gz KMOVBVBIPYXRMO-YUMQZZPRSA-N 1 0 300.746 1.783 20 5 DDBDRO CC(C)[N@@H+]1CCC[C@@H](COC(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000842836508 702781894 /nfs/dbraw/zinc/78/18/94/702781894.db2.gz PIFGPKWUFLLINP-GFCCVEGCSA-N 1 0 310.354 1.455 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@H](CO)c2ccccc2)c1 ZINC000843078437 702814479 /nfs/dbraw/zinc/81/44/79/702814479.db2.gz YVAHCRCCJQFBHK-NVXWUHKLSA-N 1 0 316.357 1.994 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(Cc2noc(CC(C)(C)[NH3+])n2)c1 ZINC000843222368 702845031 /nfs/dbraw/zinc/84/50/31/702845031.db2.gz HHUBYXQMQKBBAB-UHFFFAOYSA-N 1 0 306.322 1.857 20 5 DDBDRO [NH3+][C@@H]1CCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC000843296067 702855638 /nfs/dbraw/zinc/85/56/38/702855638.db2.gz YFEOYJKXMSGVHK-MRVPVSSYSA-N 1 0 301.705 1.489 20 5 DDBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@H]1C[C@]13CC[NH2+]C3)CC2 ZINC000843495396 702893759 /nfs/dbraw/zinc/89/37/59/702893759.db2.gz QTYLMBNLVZOSIN-WBMJQRKESA-N 1 0 301.346 1.792 20 5 DDBDRO C[C@H]1CCCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)[C@H]1CC[NH3+] ZINC000846693384 703318592 /nfs/dbraw/zinc/31/85/92/703318592.db2.gz GNYDIHZLRHMPOT-GWCFXTLKSA-N 1 0 306.366 1.767 20 5 DDBDRO CC(=O)C1CC[NH+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000846957456 703357547 /nfs/dbraw/zinc/35/75/47/703357547.db2.gz KYJJBWSOEFXQMG-HNNXBMFYSA-N 1 0 322.361 1.636 20 5 DDBDRO CO[C@@](C)(CO)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000848558886 703562932 /nfs/dbraw/zinc/56/29/32/703562932.db2.gz PICJBWVWYMHLTG-MRXNPFEDSA-N 1 0 323.393 1.551 20 5 DDBDRO CCOCCCNC(=[NH2+])NCCOc1ccc([N+](=O)[O-])cc1 ZINC000849007409 703609944 /nfs/dbraw/zinc/60/99/44/703609944.db2.gz LJYOIJGVJGAMRQ-UHFFFAOYSA-N 1 0 310.354 1.514 20 5 DDBDRO CO[C@H](C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000849326622 703635809 /nfs/dbraw/zinc/63/58/09/703635809.db2.gz CSGNVXKSGNTEGX-NWANDNLSSA-N 1 0 310.350 1.269 20 5 DDBDRO CCO[C@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])C[NH+](C)C ZINC000831777057 706777938 /nfs/dbraw/zinc/77/79/38/706777938.db2.gz PTVTYANTKIUQKU-CYBMUJFWSA-N 1 0 309.366 1.220 20 5 DDBDRO CC1CCN(CC[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000818956450 704034886 /nfs/dbraw/zinc/03/48/86/704034886.db2.gz LVMSVRWUGDKROB-MRXNPFEDSA-N 1 0 307.394 1.950 20 5 DDBDRO CO[C@]1(CO)CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000852412706 704037816 /nfs/dbraw/zinc/03/78/16/704037816.db2.gz YDVZQMQTBDHKNW-LSDHHAIUSA-N 1 0 310.350 1.102 20 5 DDBDRO CO[C@H](C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000819067246 704064478 /nfs/dbraw/zinc/06/44/78/704064478.db2.gz HJWFZSGFRAGHMC-WDEREUQCSA-N 1 0 308.256 1.795 20 5 DDBDRO C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819154175 704077632 /nfs/dbraw/zinc/07/76/32/704077632.db2.gz ORLMRMPOLGCRNY-LYRGGWFBSA-N 1 0 305.378 1.701 20 5 DDBDRO CCOC(=O)CC[C@@H](C)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819195231 704084874 /nfs/dbraw/zinc/08/48/74/704084874.db2.gz YQIJYKSVBDHFNR-BXUZGUMPSA-N 1 0 310.350 1.950 20 5 DDBDRO C[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CCC1(C)C ZINC000871157159 704233906 /nfs/dbraw/zinc/23/39/06/704233906.db2.gz VGEFGTOTQRVBKW-UHFFFAOYSA-N 1 0 324.356 1.872 20 5 DDBDRO COc1cc(N2CCC([NH3+])(CO)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000853333269 704235526 /nfs/dbraw/zinc/23/55/26/704235526.db2.gz CQZOWZMJVQNDSK-UHFFFAOYSA-N 1 0 315.757 1.547 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC(CO)([NH2+]CC3CC3)CC2)cc1 ZINC000853677011 704297602 /nfs/dbraw/zinc/29/76/02/704297602.db2.gz JDHZTSJRKAKUAO-UHFFFAOYSA-N 1 0 305.378 1.926 20 5 DDBDRO Cc1noc(CONC(=[NH2+])COC[C@H]2CCCO2)c1[N+](=O)[O-] ZINC000853728798 704306351 /nfs/dbraw/zinc/30/63/51/704306351.db2.gz ODPPKGNDGAIPTL-SECBINFHSA-N 1 0 314.298 1.085 20 5 DDBDRO C[C@H](NC(=O)COC1CC[NH+](C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000820883654 704342105 /nfs/dbraw/zinc/34/21/05/704342105.db2.gz ORDMBUNHTPOZNV-LBPRGKRZSA-N 1 0 321.377 1.883 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(Cc2noc(CC3([NH3+])CC3)n2)c1 ZINC000854153202 704362979 /nfs/dbraw/zinc/36/29/79/704362979.db2.gz GPTVDRIVDNVVNF-UHFFFAOYSA-N 1 0 304.306 1.611 20 5 DDBDRO CCN(C(=O)Cn1c(C)ncc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000821400461 704404101 /nfs/dbraw/zinc/40/41/01/704404101.db2.gz BRSMSNAVIMIKQL-UHFFFAOYSA-N 1 0 309.370 1.042 20 5 DDBDRO [NH3+][C@@]12CCC[C@@H]1CN(C(=O)COc1ccc([N+](=O)[O-])c(F)c1)C2 ZINC000857008296 704546903 /nfs/dbraw/zinc/54/69/03/704546903.db2.gz GNJYMWVOMNSFKA-MEBBXXQBSA-N 1 0 323.324 1.453 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])cc1-c1nc(N2CC[NH2+]CC2)no1 ZINC000823299821 705199229 /nfs/dbraw/zinc/19/92/29/705199229.db2.gz GRTXMFVGASUGSW-UHFFFAOYSA-N 1 0 303.322 1.671 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000874848150 705201123 /nfs/dbraw/zinc/20/11/23/705201123.db2.gz RUWYMZWEGNRLQP-UONOGXRCSA-N 1 0 304.350 1.607 20 5 DDBDRO CCN(C(=O)Nc1ccc(N)c([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C)C1 ZINC000823920840 705339839 /nfs/dbraw/zinc/33/98/39/705339839.db2.gz FKVXQOOPXLXMJN-LLVKDONJSA-N 1 0 307.354 1.735 20 5 DDBDRO CNC(=O)C[C@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000825068927 705593024 /nfs/dbraw/zinc/59/30/24/705593024.db2.gz ZKLYXLAYXVMKLZ-LBPRGKRZSA-N 1 0 320.393 1.678 20 5 DDBDRO C[N@@H+]1CCCC[C@H](CNC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000862794747 705800359 /nfs/dbraw/zinc/80/03/59/705800359.db2.gz HARPOQYTXYZJGK-DOMZBBRYSA-N 1 0 321.377 1.476 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])c(F)cc3N)CC[C@H]21 ZINC000827269712 705964908 /nfs/dbraw/zinc/96/49/08/705964908.db2.gz ZCDXABHKJXFDJJ-NOZJJQNGSA-N 1 0 322.340 1.482 20 5 DDBDRO C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000827626288 706039593 /nfs/dbraw/zinc/03/95/93/706039593.db2.gz VHAHOYQPYMMQOU-SOUVJXGZSA-N 1 0 303.362 1.909 20 5 DDBDRO C[C@@H](NC[C@H](O)C[NH+]1CCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872026074 707282585 /nfs/dbraw/zinc/28/25/85/707282585.db2.gz ACSHKWGCZPCLGB-NEPJUHHUSA-N 1 0 311.357 1.841 20 5 DDBDRO COc1ccc(C(=O)N[C@@]23CCC[C@@H]2[NH2+]CC3)cc1[N+](=O)[O-] ZINC000877400570 706096888 /nfs/dbraw/zinc/09/68/88/706096888.db2.gz WVUYMQVRDBRHNG-DZGCQCFKSA-N 1 0 305.334 1.618 20 5 DDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]Cc3ccc(CO)cc3)C2)c1 ZINC000877604998 706156992 /nfs/dbraw/zinc/15/69/92/706156992.db2.gz TXYGHSGALALAAD-UHFFFAOYSA-N 1 0 302.334 1.777 20 5 DDBDRO Cc1nccnc1[C@@H](C)[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877828626 706226026 /nfs/dbraw/zinc/22/60/26/706226026.db2.gz MRSRCFCXTZBYCF-VOMCLLRMSA-N 1 0 302.338 1.944 20 5 DDBDRO CC1=CC[N@H+](CCNC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000829328399 706319892 /nfs/dbraw/zinc/31/98/92/706319892.db2.gz VALNMTDPNIBQGK-OAHLLOKOSA-N 1 0 319.361 1.396 20 5 DDBDRO Cc1c(C[NH+]2CCC([C@H](F)C(N)=O)CC2)cccc1[N+](=O)[O-] ZINC000879048562 706573254 /nfs/dbraw/zinc/57/32/54/706573254.db2.gz WJLLYHWKBFNHKL-AWEZNQCLSA-N 1 0 309.341 1.939 20 5 DDBDRO COC(=O)CC[C@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000880040604 706860760 /nfs/dbraw/zinc/86/07/60/706860760.db2.gz YFRYXCROOCPXCE-GFCCVEGCSA-N 1 0 310.354 1.457 20 5 DDBDRO CC(C)[NH2+]CCCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000832607225 706949051 /nfs/dbraw/zinc/94/90/51/706949051.db2.gz UWZCBBLQZPUSJT-UHFFFAOYSA-N 1 0 310.310 1.621 20 5 DDBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000867307885 706954813 /nfs/dbraw/zinc/95/48/13/706954813.db2.gz DQPLNOAVOBHSPB-WPRPVWTQSA-N 1 0 319.408 1.369 20 5 DDBDRO [NH3+][C@@H]1CCC[C@H](NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000834594391 707091470 /nfs/dbraw/zinc/09/14/70/707091470.db2.gz SUHAJGFAOLASTF-NEPJUHHUSA-N 1 0 317.349 1.331 20 5 DDBDRO Cc1ccc(C[NH2+]C[C@H](O)C[C@](C)(O)C2CC2)cc1[N+](=O)[O-] ZINC000872231537 707340525 /nfs/dbraw/zinc/34/05/25/707340525.db2.gz MKLLOCLYPHDGLS-ZBFHGGJFSA-N 1 0 308.378 1.905 20 5 DDBDRO Cc1ccc(C[NH2+]C[C@H](O)COC2CCOCC2)cc1[N+](=O)[O-] ZINC000872231971 707340579 /nfs/dbraw/zinc/34/05/79/707340579.db2.gz VTSKCNSLQZCRQL-AWEZNQCLSA-N 1 0 324.377 1.549 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@]12CCC[C@H]1OCC2 ZINC000872314638 707377846 /nfs/dbraw/zinc/37/78/46/707377846.db2.gz AGLQUJCDZRTAAN-WQVCFCJDSA-N 1 0 322.361 1.636 20 5 DDBDRO C[NH+](C)CC(C)(C)NC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000837239120 707602581 /nfs/dbraw/zinc/60/25/81/707602581.db2.gz KBNHIKWEQWYBPW-UHFFFAOYSA-N 1 0 323.378 1.670 20 5 DDBDRO CN(CC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])CCOCCO ZINC000883351982 707982990 /nfs/dbraw/zinc/98/29/90/707982990.db2.gz PRKIWDIOXBPOIM-OAHLLOKOSA-N 1 0 323.393 1.112 20 5 DDBDRO O=CN1CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000839017788 708015939 /nfs/dbraw/zinc/01/59/39/708015939.db2.gz DEEUMHTVZUFSJL-UHFFFAOYSA-N 1 0 320.349 1.088 20 5 DDBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000883539953 708024018 /nfs/dbraw/zinc/02/40/18/708024018.db2.gz ONCIZJKDBJECIP-CQSZACIVSA-N 1 0 306.366 1.531 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C2(CO)CCSCC2)cc1 ZINC000839180992 708033710 /nfs/dbraw/zinc/03/37/10/708033710.db2.gz VNOFFFNCCHBWHS-ZDUSSCGKSA-N 1 0 312.391 1.476 20 5 DDBDRO CC1(C)C[NH2+]C[C@@H]1C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000884059447 708121596 /nfs/dbraw/zinc/12/15/96/708121596.db2.gz RYCRWUATSVRLTA-CYBMUJFWSA-N 1 0 306.366 1.369 20 5 DDBDRO C[C@@H](NC(=O)C1C[NH+]([C@H]2CCOC2)C1)c1ccccc1[N+](=O)[O-] ZINC000897306975 708285980 /nfs/dbraw/zinc/28/59/80/708285980.db2.gz FICQEDFXOXOAJV-YPMHNXCESA-N 1 0 319.361 1.493 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NOC2CC[NH+](C)CC2)c1C ZINC000897674908 708415628 /nfs/dbraw/zinc/41/56/28/708415628.db2.gz LLKZCBDOENENCZ-UHFFFAOYSA-N 1 0 307.350 1.967 20 5 DDBDRO O=C([C@H]1CC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1)N1CCCC1 ZINC000886205824 708714533 /nfs/dbraw/zinc/71/45/33/708714533.db2.gz AAIGAXMQZXMEET-ZDUSSCGKSA-N 1 0 304.350 1.434 20 5 DDBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCN1CCNC1=O ZINC000886742530 708832062 /nfs/dbraw/zinc/83/20/62/708832062.db2.gz CFRNAFMQBWXBHF-GFCCVEGCSA-N 1 0 306.366 1.531 20 5 DDBDRO CC(C)C[NH+]1CCN(c2ccc([N+](=O)[O-])c3nonc32)CC1 ZINC000912727835 713076324 /nfs/dbraw/zinc/07/63/24/713076324.db2.gz KYFPEOXXDBCLRE-UHFFFAOYSA-N 1 0 305.338 1.909 20 5 DDBDRO C[C@H](CNC(=S)NCC[NH+](C)C)c1ccccc1[N+](=O)[O-] ZINC000899621783 709128273 /nfs/dbraw/zinc/12/82/73/709128273.db2.gz TXUACFCJYFTJKG-LLVKDONJSA-N 1 0 310.423 1.724 20 5 DDBDRO O=C(c1cccc([N+](=O)[O-])c1)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889780164 709631548 /nfs/dbraw/zinc/63/15/48/709631548.db2.gz IPIMDYMXYREFAD-GJZGRUSLSA-N 1 0 319.361 1.266 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]([NH+]3CCC3)C2)c1 ZINC000912920019 713124634 /nfs/dbraw/zinc/12/46/34/713124634.db2.gz PJFPTCVSTCCWAL-LLVKDONJSA-N 1 0 305.334 1.524 20 5 DDBDRO CCN(C(=O)NCCOc1ccc([N+](=O)[O-])cc1)[C@H]1CC[NH2+]C1 ZINC000891537654 710230271 /nfs/dbraw/zinc/23/02/71/710230271.db2.gz MSLJXFQJEAQQAJ-ZDUSSCGKSA-N 1 0 322.365 1.367 20 5 DDBDRO C[NH+](C)C[C@@H](O)CNc1c2cc(F)ccc2ncc1[N+](=O)[O-] ZINC000891745995 710282322 /nfs/dbraw/zinc/28/23/22/710282322.db2.gz OTUIPBUXIHEZAV-JTQLQIEISA-N 1 0 308.313 1.038 20 5 DDBDRO C[C@]1(NC(=O)Cc2cccc([N+](=O)[O-])c2)C[NH+]2CCC1CC2 ZINC000892781786 710497576 /nfs/dbraw/zinc/49/75/76/710497576.db2.gz QMHKCBRXWVZPRU-INIZCTEOSA-N 1 0 303.362 1.738 20 5 DDBDRO C[NH+](C)C[C@@](C)(O)CNc1c2cc(F)ccc2ncc1[N+](=O)[O-] ZINC000892955243 710531789 /nfs/dbraw/zinc/53/17/89/710531789.db2.gz HRCPUVHNZQYDDC-HNNXBMFYSA-N 1 0 322.340 1.429 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@H]2CCC3(C[C@@H]2F)OCCO3)c1 ZINC000893133129 710559725 /nfs/dbraw/zinc/55/97/25/710559725.db2.gz AZIJIQOHVFYNHM-NWDGAFQWSA-N 1 0 314.317 1.015 20 5 DDBDRO COc1cc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2C)cc([N+](=O)[O-])c1C ZINC000928438772 713196125 /nfs/dbraw/zinc/19/61/25/713196125.db2.gz GVCNLTZQIVFTAR-ZYHUDNBSSA-N 1 0 307.350 1.734 20 5 DDBDRO COc1cc(OCC(=O)N[C@@H]2CC[N@H+](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000928442799 713198025 /nfs/dbraw/zinc/19/80/25/713198025.db2.gz CFFOFIPZLTVHGL-CMPLNLGQSA-N 1 0 323.349 1.191 20 5 DDBDRO COc1cc(C(=O)N[C@H]2CC[N@H+](C)[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000928457580 713205496 /nfs/dbraw/zinc/20/54/96/713205496.db2.gz XJIMFBWRCBCTSG-ONGXEEELSA-N 1 0 323.349 1.434 20 5 DDBDRO COc1cc([C@H](C)[NH2+][C@@H](C)CN2CCOCC2)cc([N+](=O)[O-])c1 ZINC000903069464 711022650 /nfs/dbraw/zinc/02/26/50/711022650.db2.gz WCKLMBFPRFWKAI-STQMWFEESA-N 1 0 323.393 1.975 20 5 DDBDRO COc1cc([C@@H](C)[NH2+]C[C@H]2COCCN2C)cc([N+](=O)[O-])c1 ZINC000903205858 711063968 /nfs/dbraw/zinc/06/39/68/711063968.db2.gz GHJGRCVSMAXDFW-RISCZKNCSA-N 1 0 309.366 1.585 20 5 DDBDRO C[C@@H]1C[NH2+]C[C@H]1CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000903426871 711122741 /nfs/dbraw/zinc/12/27/41/711122741.db2.gz RCEDAUUOJLCFMR-KGLIPLIRSA-N 1 0 304.394 1.572 20 5 DDBDRO COc1ccc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])nc1 ZINC000894447503 711124867 /nfs/dbraw/zinc/12/48/67/711124867.db2.gz AREJMZRVOGPJKL-UHFFFAOYSA-N 1 0 302.334 1.964 20 5 DDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]CCO[C@H]3CCCCO3)C2)c1 ZINC000894793860 711273958 /nfs/dbraw/zinc/27/39/58/711273958.db2.gz LAHBHQPBTCPYHG-YIZWMMSDSA-N 1 0 310.354 1.628 20 5 DDBDRO COc1c(O)ccc(C[NH+]2C[C@@H](C)C(O)[C@H](C)C2)c1[N+](=O)[O-] ZINC000895366287 711495098 /nfs/dbraw/zinc/49/50/98/711495098.db2.gz JUWFSMBVTQUBSG-NXEZZACHSA-N 1 0 310.350 1.758 20 5 DDBDRO C[C@@H]1[C@@H](Nc2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])CC[N@@H+]1C ZINC000895737552 711590632 /nfs/dbraw/zinc/59/06/32/711590632.db2.gz BJCXSFDWTZCKML-PWSUYJOCSA-N 1 0 316.361 1.951 20 5 DDBDRO C[C@@H]1[C@@H](Nc2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)CC[N@@H+]1C ZINC000895737462 711590930 /nfs/dbraw/zinc/59/09/30/711590930.db2.gz VRHXZQUCZAELLD-ZJUUUORDSA-N 1 0 319.365 1.290 20 5 DDBDRO Cc1cc(C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCN2C)ccc1[N+](=O)[O-] ZINC000896579332 711757526 /nfs/dbraw/zinc/75/75/26/711757526.db2.gz FQBXIXPPYJPYNC-IUODEOHRSA-N 1 0 320.393 1.267 20 5 DDBDRO Cc1c(C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCN2C)cccc1[N+](=O)[O-] ZINC000896580799 711757959 /nfs/dbraw/zinc/75/79/59/711757959.db2.gz IYKJTLDPURECNG-SWLSCSKDSA-N 1 0 320.393 1.267 20 5 DDBDRO C[NH+](C)CC1(O)CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000913682889 713280489 /nfs/dbraw/zinc/28/04/89/713280489.db2.gz BKIDYRIXBFPRNI-UHFFFAOYSA-N 1 0 321.377 1.052 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C1CN(C)CC[N@H+](C)C1 ZINC000905032402 711913802 /nfs/dbraw/zinc/91/38/02/711913802.db2.gz KJWDZUOZNNGBKU-UHFFFAOYSA-N 1 0 306.366 1.335 20 5 DDBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@@H](O)C2(O)CCC2)c1 ZINC000905158480 711955108 /nfs/dbraw/zinc/95/51/08/711955108.db2.gz GEGQGYXXXWLHCX-GFCCVEGCSA-N 1 0 300.742 1.614 20 5 DDBDRO CC(C)O[C@@]1(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCOC1 ZINC000905557453 712076953 /nfs/dbraw/zinc/07/69/53/712076953.db2.gz OGSFVBQKZXITDE-JKSUJKDBSA-N 1 0 324.377 1.802 20 5 DDBDRO C[C@]1(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCCCO1 ZINC000905587023 712087136 /nfs/dbraw/zinc/08/71/36/712087136.db2.gz GQXLKDZKPQWISC-CZUORRHYSA-N 1 0 324.377 1.883 20 5 DDBDRO C[N@H+](Cc1cn(CCn2ccc([N+](=O)[O-])n2)nn1)C(C)(C)C ZINC000905799371 712148732 /nfs/dbraw/zinc/14/87/32/712148732.db2.gz OXVNIYYXGYWFPH-UHFFFAOYSA-N 1 0 307.358 1.313 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000917064383 713480567 /nfs/dbraw/zinc/48/05/67/713480567.db2.gz RCDNBZUTEYOIJW-GFCCVEGCSA-N 1 0 309.370 1.384 20 5 DDBDRO COc1cccc([C@H]2[C@H]([NH2+]CC[N+](=O)[O-])CCN2C2CC2)c1 ZINC000930353776 713811999 /nfs/dbraw/zinc/81/19/99/713811999.db2.gz KGWLYTVHIBTOOE-CVEARBPZSA-N 1 0 305.378 1.839 20 5 DDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@H]([NH+](C)C)[C@H]1C ZINC000931043509 713989397 /nfs/dbraw/zinc/98/93/97/713989397.db2.gz KQVFMJNVKQMAAN-JMSVASOKSA-N 1 0 320.393 1.946 20 5 DDBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2(O)CCC3(CC2)OCCO3)cc1 ZINC000922621383 714102891 /nfs/dbraw/zinc/10/28/91/714102891.db2.gz BKNNVYIFIFJKKH-UHFFFAOYSA-N 1 0 322.361 1.733 20 5 DDBDRO C[C@@H]([NH2+][C@@H](C)C(=O)NC[C@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000932180669 714280377 /nfs/dbraw/zinc/28/03/77/714280377.db2.gz BUQUVXZLYLVNBI-TYNCELHUSA-N 1 0 321.377 1.929 20 5 DDBDRO C[C@@H]1COC[C@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000932493435 714345667 /nfs/dbraw/zinc/34/56/67/714345667.db2.gz FZWHDYDZVYWQMY-PRHODGIISA-N 1 0 313.741 1.811 20 5 DDBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)Cn1c(C)ncc1[N+](=O)[O-] ZINC000932514185 714351946 /nfs/dbraw/zinc/35/19/46/714351946.db2.gz OGBLDYKTRUTZGI-GFCCVEGCSA-N 1 0 309.370 1.090 20 5 DDBDRO Cc1cc(F)ccc1[C@@H](C)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000932554679 714359167 /nfs/dbraw/zinc/35/91/67/714359167.db2.gz APTWPXOJXILUSC-RISCZKNCSA-N 1 0 322.340 1.951 20 5 DDBDRO [NH3+]CC[C@@H]1CN(CCn2ccc([N+](=O)[O-])n2)c2ccccc21 ZINC000923554254 714399887 /nfs/dbraw/zinc/39/98/87/714399887.db2.gz GTMLBRZJMJSGGC-GFCCVEGCSA-N 1 0 301.350 1.744 20 5 DDBDRO O=C1N[C@@H](C2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)CO1 ZINC000932779304 714412275 /nfs/dbraw/zinc/41/22/75/714412275.db2.gz NICZJSSMGSENCF-OAHLLOKOSA-N 1 0 319.361 1.958 20 5 DDBDRO C[C@H]([NH2+][C@@H]1C(=O)NCC12CCOCC2)c1cccc([N+](=O)[O-])c1 ZINC000933038711 714505942 /nfs/dbraw/zinc/50/59/42/714505942.db2.gz HAAPZPVCCVYPRC-SMDDNHRTSA-N 1 0 319.361 1.541 20 5 DDBDRO C[N@@H+]1C[C@@H]2CN(Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000933740179 714659874 /nfs/dbraw/zinc/65/98/74/714659874.db2.gz LDPUGJPNBVPCGF-CJNGLKHVSA-N 1 0 318.377 1.077 20 5 DDBDRO Cc1ccc([C@@H](C)N2C(=O)N[C@@H](C[NH+](C)C)C2=O)cc1[N+](=O)[O-] ZINC000924795670 714665964 /nfs/dbraw/zinc/66/59/64/714665964.db2.gz YLSIEAWDXAECII-PWSUYJOCSA-N 1 0 320.349 1.446 20 5 DDBDRO C[N@@H+]1C[C@H](O)C[C@H]1CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000924989607 714717999 /nfs/dbraw/zinc/71/79/99/714717999.db2.gz SSJCOIXUVJNSLS-DTWKUNHWSA-N 1 0 313.741 1.043 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@@H](Cc3nccs3)C2)n1 ZINC000934335271 714797820 /nfs/dbraw/zinc/79/78/20/714797820.db2.gz ZRWIMXSLZADQFF-NSHDSACASA-N 1 0 307.379 1.812 20 5 DDBDRO CC[N@@H+]1C[C@H](C)N(C(=O)Cn2c(C)ncc2[N+](=O)[O-])C[C@@H]1C ZINC000935169266 714994003 /nfs/dbraw/zinc/99/40/03/714994003.db2.gz YWZQJRPKMBNCBK-QWRGUYRKSA-N 1 0 309.370 1.041 20 5 DDBDRO C[NH+](C)CCOCCNC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000935260566 715014703 /nfs/dbraw/zinc/01/47/03/715014703.db2.gz RTTSDSFCGAXXCP-HUUCEWRRSA-N 1 0 321.377 1.393 20 5 DDBDRO Cc1cc(Cl)nc(N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)c1[N+](=O)[O-] ZINC001164665839 719385028 /nfs/dbraw/zinc/38/50/28/719385028.db2.gz IWTBKWUDDFDAPD-UWVGGRQHSA-N 1 0 312.757 1.471 20 5 DDBDRO C[N@@H+]1CCO[C@H]2CN(c3ncnc4cccc([N+](=O)[O-])c43)C[C@@H]21 ZINC000347409213 719474503 /nfs/dbraw/zinc/47/45/03/719474503.db2.gz GYAWUDBSYJFAFF-STQMWFEESA-N 1 0 315.333 1.057 20 5 DDBDRO C[NH+](C)[C@@H]1CCCN(c2cc([N+](=O)[O-])cc(Cl)[n+]2[O-])C1 ZINC001165040323 721893187 /nfs/dbraw/zinc/89/31/87/721893187.db2.gz VUWRIZKKCKHEKI-SECBINFHSA-N 1 0 300.746 1.412 20 5 DDBDRO C[N@@H+]1C[C@@H]2CC[C@H](Nc3ccc4ncc([N+](=O)[O-])n4n3)[C@H]2C1 ZINC001120921982 782236870 /nfs/dbraw/zinc/23/68/70/782236870.db2.gz FZYWWZUJUTUFHW-DCAQKATOSA-N 1 0 302.338 1.390 20 5 DDBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)c1cnco1 ZINC001020447304 732386624 /nfs/dbraw/zinc/38/66/24/732386624.db2.gz RZMBETTUGFQCJI-HAQNSBGRSA-N 1 0 316.317 1.633 20 5 DDBDRO C[NH2+]Cc1c(C)nn(-c2ncc([N+](=O)[O-])cc2[N+](=O)[O-])c1C ZINC001167098691 732603180 /nfs/dbraw/zinc/60/31/80/732603180.db2.gz UTUMHDXIWOCZNS-UHFFFAOYSA-N 1 0 306.282 1.420 20 5 DDBDRO O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)C1CC(F)(F)C1 ZINC001125489846 733599648 /nfs/dbraw/zinc/59/96/48/733599648.db2.gz XOZZQGXHJMFARP-UHFFFAOYSA-N 1 0 319.333 1.907 20 5 DDBDRO COc1nc(C)c(NCC[NH+]2CCSCC2)cc1[N+](=O)[O-] ZINC001167837881 738998530 /nfs/dbraw/zinc/99/85/30/738998530.db2.gz ZJMFEWNBAWCKLY-UHFFFAOYSA-N 1 0 312.395 1.768 20 5 DDBDRO Cc1cc(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)ns1 ZINC001126372073 739555613 /nfs/dbraw/zinc/55/56/13/739555613.db2.gz LYQBARUXZHASKO-UHFFFAOYSA-N 1 0 320.374 1.879 20 5 DDBDRO Cc1cc[nH]c1C(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001126513379 740525483 /nfs/dbraw/zinc/52/54/83/740525483.db2.gz BJGHFFQZQLMHHX-UHFFFAOYSA-N 1 0 308.363 1.812 20 5 DDBDRO O=C(NCC[NH2+]CCc1ccc(Cl)cc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126936222 742829938 /nfs/dbraw/zinc/82/99/38/742829938.db2.gz BKXAVKNKYNXMCL-CHWSQXEVSA-N 1 0 311.769 1.254 20 5 DDBDRO O=C(NCC[NH2+]C/C=C\c1ccc(Cl)cc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126936864 742854027 /nfs/dbraw/zinc/85/40/27/742854027.db2.gz VFPSMGCVZWVGCT-KOMGFDSOSA-N 1 0 323.780 1.724 20 5 DDBDRO Cn1ccc(CNc2cc3c(cc2[N+](=O)[O-])C[NH2+]C3)cc1=O ZINC001168403906 744071874 /nfs/dbraw/zinc/07/18/74/744071874.db2.gz WMKJJFVLMHBGHA-UHFFFAOYSA-N 1 0 300.318 1.509 20 5 DDBDRO O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)C1(C(F)F)CC1 ZINC001127217224 744501120 /nfs/dbraw/zinc/50/11/20/744501120.db2.gz RNJDVIHPTKDFCD-UHFFFAOYSA-N 1 0 319.333 1.907 20 5 DDBDRO CCN(CCNc1ccccc1[N+](=O)[O-])C(=O)C[NH+]1CCCC1 ZINC001106776948 746060526 /nfs/dbraw/zinc/06/05/26/746060526.db2.gz HXFBZERUMCHOAX-UHFFFAOYSA-N 1 0 320.393 1.951 20 5 DDBDRO NC(=O)COC1CCN(Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC001116222872 752146587 /nfs/dbraw/zinc/14/65/87/752146587.db2.gz FFWBATFVQTUJNN-UHFFFAOYSA-N 1 0 311.313 1.200 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1CN1CC[C@H](c2nn[nH]n2)C1 ZINC001197295835 747123276 /nfs/dbraw/zinc/12/32/76/747123276.db2.gz INRIEEHDIKZKRZ-JTQLQIEISA-N 1 0 304.310 1.106 20 5 DDBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccns1 ZINC001128503193 748211221 /nfs/dbraw/zinc/21/12/21/748211221.db2.gz QKNYAUMEIGOGLI-UHFFFAOYSA-N 1 0 306.347 1.571 20 5 DDBDRO C[NH+](C)CCC(=O)NC/C=C/CNc1ccc(F)cc1[N+](=O)[O-] ZINC001107490064 750045488 /nfs/dbraw/zinc/04/54/88/750045488.db2.gz QUUBKOLVBZHTBZ-ONEGZZNKSA-N 1 0 324.356 1.770 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2cc(Br)no2)C1 ZINC001168968351 762158289 /nfs/dbraw/zinc/15/82/89/762158289.db2.gz XXMMJJLCUPAXQR-SFYZADRCSA-N 1 0 304.144 1.972 20 5 DDBDRO Cc1cc(N2CC[C@@H]([NH2+][C@H]3CC[C@H](C[N+](=O)[O-])C3)C2)ncn1 ZINC001168997205 762169516 /nfs/dbraw/zinc/16/95/16/762169516.db2.gz YDKKOLVKTZIQDI-MELADBBJSA-N 1 0 305.382 1.399 20 5 DDBDRO Cc1nc(CC[NH3+])nn1-c1ccc([N+](=O)[O-])c([N+](=O)[O-])c1C ZINC001168987405 762180751 /nfs/dbraw/zinc/18/07/51/762180751.db2.gz NRYQPVOFJIBFIH-UHFFFAOYSA-N 1 0 306.282 1.202 20 5 DDBDRO CC(=O)N1CCC2(C1)CC[NH+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169010117 762178088 /nfs/dbraw/zinc/17/80/88/762178088.db2.gz BFMORDFQNXKUHC-GJZGRUSLSA-N 1 0 309.410 1.766 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCCN(c3ncccn3)CC2)C1 ZINC001169036159 762191887 /nfs/dbraw/zinc/19/18/87/762191887.db2.gz NGALCJUFXDFBQD-KGLIPLIRSA-N 1 0 305.382 1.434 20 5 DDBDRO CN(C)C1=NOC2(C1)CC[NH+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169023707 762200515 /nfs/dbraw/zinc/20/05/15/762200515.db2.gz PUTAORSXNHZTNF-CHWSQXEVSA-N 1 0 310.398 1.562 20 5 DDBDRO O=C(N1CCCC1)C12CC(C1)C[N@H+]2[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169026253 762203221 /nfs/dbraw/zinc/20/32/21/762203221.db2.gz WOEASBNNHKOJIK-RXFTYZNJSA-N 1 0 307.394 1.519 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCC[C@H](Oc3cnccn3)C2)C1 ZINC001169053889 762208860 /nfs/dbraw/zinc/20/88/60/762208860.db2.gz JYLIBIAEYKRAEZ-RDBSUJKOSA-N 1 0 306.366 1.765 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(NCc2ncn3c2C[NH2+]CCC3)n1 ZINC001169237910 762302249 /nfs/dbraw/zinc/30/22/49/762302249.db2.gz SHFVDRMFEINRFV-UHFFFAOYSA-N 1 0 318.337 1.300 20 5 DDBDRO O=[N+]([O-])c1c(Cl)nc(Cl)nc1N1CCC[C@H]2[NH2+]C[C@@H]21 ZINC001165390937 756948601 /nfs/dbraw/zinc/94/86/01/756948601.db2.gz MHQWTZLGTYGRPK-RITPCOANSA-N 1 0 304.137 1.632 20 5 DDBDRO CCc1n[nH]c(C(=O)N2C[C@]3(C)C[N@H+](C)C[C@]3(C)C2)c1[N+](=O)[O-] ZINC000823484732 758319761 /nfs/dbraw/zinc/31/97/61/758319761.db2.gz SFZZBUBMNIXGRJ-GASCZTMLSA-N 1 0 321.381 1.294 20 5 DDBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1)c1ccon1 ZINC001020008216 760419096 /nfs/dbraw/zinc/41/90/96/760419096.db2.gz NROCDCFITGWLTR-MGCOHNPYSA-N 1 0 322.346 1.695 20 5 DDBDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cc1 ZINC001020139321 760613795 /nfs/dbraw/zinc/61/37/95/760613795.db2.gz XKHQPPYEWWEVAF-QHSBEEBCSA-N 1 0 319.361 1.097 20 5 DDBDRO COc1ccc(C[C@H](C)[NH2+]CC(=O)NCC(C)C)c([N+](=O)[O-])c1 ZINC001170306212 766224278 /nfs/dbraw/zinc/22/42/78/766224278.db2.gz RVQJRQAWWKOLRU-LBPRGKRZSA-N 1 0 323.393 1.896 20 5 DDBDRO CCOC(=O)c1cccc([N+](=O)[O-])c1NCCN(C)CC[NH3+] ZINC001170502794 767620669 /nfs/dbraw/zinc/62/06/69/767620669.db2.gz OEZLWPBBYAINMI-UHFFFAOYSA-N 1 0 310.354 1.074 20 5 DDBDRO COC(=O)c1ccnc(N2CCC[C@@](C)(C[NH3+])C2)c1[N+](=O)[O-] ZINC001158678246 769041607 /nfs/dbraw/zinc/04/16/07/769041607.db2.gz FGULPYSTUFYOEV-AWEZNQCLSA-N 1 0 308.338 1.342 20 5 DDBDRO C[NH+]1CC2(CN(c3nc(Cl)nc4ccc([N+](=O)[O-])cc43)C2)C1 ZINC001158863543 769842239 /nfs/dbraw/zinc/84/22/39/769842239.db2.gz DBHJZRSFIJRXPP-UHFFFAOYSA-N 1 0 319.752 1.943 20 5 DDBDRO CCC[N@H+](C)CC(=O)N[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001097053681 771600094 /nfs/dbraw/zinc/60/00/94/771600094.db2.gz XAYLIBCXLWURNG-HDJSIYSDSA-N 1 0 320.393 1.996 20 5 DDBDRO C[C@@]1(NC(=O)c2cccc([N+](=O)[O-])c2N)C[NH+]2CCC1CC2 ZINC001146873313 772974641 /nfs/dbraw/zinc/97/46/41/772974641.db2.gz GRRMFPUEBIIAOD-OAHLLOKOSA-N 1 0 304.350 1.391 20 5 DDBDRO CCC[N@H+](C)CC(C)(C)NC(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001148630382 773559007 /nfs/dbraw/zinc/55/90/07/773559007.db2.gz JNJFYFCQDHFHNK-UHFFFAOYSA-N 1 0 317.777 1.822 20 5 DDBDRO CC[NH+](CC)CC(=O)NCCCNc1ccccc1[N+](=O)[O-] ZINC001094442149 775880184 /nfs/dbraw/zinc/88/01/84/775880184.db2.gz PPFGZTOEADBFIV-UHFFFAOYSA-N 1 0 308.382 1.855 20 5 DDBDRO Cc1cnc(NCCCNC(=O)C[N@@H+](C)C(C)C)c([N+](=O)[O-])c1 ZINC001094456391 775895752 /nfs/dbraw/zinc/89/57/52/775895752.db2.gz DPQSKAYBXNYFEP-UHFFFAOYSA-N 1 0 323.397 1.557 20 5 DDBDRO CCN(CCNC(=O)C[NH+](CC)CC)c1ncccc1[N+](=O)[O-] ZINC001100540224 776285488 /nfs/dbraw/zinc/28/54/88/776285488.db2.gz FKBSCCJBFSYWKN-UHFFFAOYSA-N 1 0 323.397 1.274 20 5 DDBDRO O=C1OCCN1CC[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172901339 776916257 /nfs/dbraw/zinc/91/62/57/776916257.db2.gz MCMUYPPAGRIZQR-AWEZNQCLSA-N 1 0 319.361 1.884 20 5 DDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@]1(CN)CN2CCC1CC2 ZINC001173221626 777054425 /nfs/dbraw/zinc/05/44/25/777054425.db2.gz OENSAIYDLBKBPL-CXAGYDPISA-N 1 0 318.421 1.539 20 5 DDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)n1[nH]c(=O)c2c1CC[NH2+]C2 ZINC001173231250 777063782 /nfs/dbraw/zinc/06/37/82/777063782.db2.gz LCGCPZYMTWMHQL-SNVBAGLBSA-N 1 0 302.334 1.946 20 5 DDBDRO CCC[N@H+](C)CC(=O)N(C)CCNc1ccc([N+](=O)[O-])c(C)n1 ZINC001101705723 777415673 /nfs/dbraw/zinc/41/56/73/777415673.db2.gz UDTJEBZXMXEPID-UHFFFAOYSA-N 1 0 323.397 1.510 20 5 DDBDRO Cc1nonc1C(=O)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001177447033 778614403 /nfs/dbraw/zinc/61/44/03/778614403.db2.gz CNXLEEPCIXRQJK-UHFFFAOYSA-N 1 0 319.321 1.196 20 5 DDBDRO COC(=O)N1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001116072741 780472392 /nfs/dbraw/zinc/47/23/92/780472392.db2.gz KOBAUEVUXAOBOP-UHFFFAOYSA-N 1 0 307.350 1.911 20 5 DDBDRO CS[C@@H]1CC[C@H]([N@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001116150366 780479589 /nfs/dbraw/zinc/47/95/89/780479589.db2.gz NSIRQVHNMORPOP-CYZMBNFOSA-N 1 0 314.411 1.368 20 5 DDBDRO O=C(NCC12CC(C1)C[NH2+]2)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001118481612 781134985 /nfs/dbraw/zinc/13/49/85/781134985.db2.gz BCOKAGJPSXOOLT-UHFFFAOYSA-N 1 0 316.361 1.415 20 5 DDBDRO [NH3+]CCC(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC001119316317 781402465 /nfs/dbraw/zinc/40/24/65/781402465.db2.gz JLXVYHIKIJGGCN-UHFFFAOYSA-N 1 0 302.128 1.322 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC001119324770 781404463 /nfs/dbraw/zinc/40/44/63/781404463.db2.gz JWJYYHXIESRVTE-HNNXBMFYSA-N 1 0 306.366 1.539 20 5 DDBDRO C[N@@H+](CC/C=C/c1ccccc1)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001267194116 837510708 /nfs/dbraw/zinc/51/07/08/837510708.db2.gz IYRBDORYQRGVDO-IBBQAADRSA-N 1 0 317.389 1.803 20 5 DDBDRO CC[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1ccc(F)cc1C ZINC001266390791 836197209 /nfs/dbraw/zinc/19/72/09/836197209.db2.gz MHEICKQTSVYODW-HUUCEWRRSA-N 1 0 323.368 1.737 20 5 DDBDRO CN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)Cc1cnc[nH]1 ZINC001267433920 838034616 /nfs/dbraw/zinc/03/46/16/838034616.db2.gz DYBVNOZNEDFQKA-UHFFFAOYSA-N 1 0 317.349 1.109 20 5 DDBDRO CO[C@@H]1CC[N@H+](CCOc2nc(Cl)nc(C)c2[N+](=O)[O-])C1 ZINC001227341400 843479586 /nfs/dbraw/zinc/47/95/86/843479586.db2.gz XDFARSXGYMCMNF-SECBINFHSA-N 1 0 316.745 1.446 20 5 DDBDRO C[C@@H](CN1CC[NH2+]CC1)Nc1cc([N+](=O)[O-])c2cc[nH]c2n1 ZINC001154752960 861426347 /nfs/dbraw/zinc/42/63/47/861426347.db2.gz WJUJXSBOPMOYGM-JTQLQIEISA-N 1 0 304.354 1.177 20 5 DDBDRO O=C(N[C@H]1CC[C@H](C[NH2+]CCC2CC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001272727332 846727662 /nfs/dbraw/zinc/72/76/62/846727662.db2.gz UZWDQOKMRIWLMH-KBUPBQIOSA-N 1 0 309.410 1.716 20 5 DDBDRO CCOC1(OCC)CC[NH2+]C[C@@H]1Nc1cc([N+](=O)[O-])ccn1 ZINC001155224554 861860564 /nfs/dbraw/zinc/86/05/64/861860564.db2.gz IDCVUQVQDASLBH-LBPRGKRZSA-N 1 0 310.354 1.533 20 5 DDBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1C[C@@H]([NH3+])Cc2ccccc21 ZINC001155300138 861944527 /nfs/dbraw/zinc/94/45/27/861944527.db2.gz TULGNRHDENCTLY-LBPRGKRZSA-N 1 0 300.318 1.558 20 5 DDBDRO CCN(CC[NH2+]CCc1ccc(C)cc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001273374153 849730238 /nfs/dbraw/zinc/73/02/38/849730238.db2.gz GNAQDPJRXHPLBT-HZPDHXFCSA-N 1 0 319.405 1.641 20 5 DDBDRO CC[C@@H]1[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CCC[C@]12CCC(=O)N2 ZINC001169021510 850518059 /nfs/dbraw/zinc/51/80/59/850518059.db2.gz LGKQCJPNRMFIDS-FQLMCAECSA-N 1 0 309.410 1.955 20 5 DDBDRO O=[N+]([O-])c1cnc(Cl)cc1N[C@@H]1CCO[C@@]2(CC[NH2+]C2)C1 ZINC001155617641 862297063 /nfs/dbraw/zinc/29/70/63/862297063.db2.gz JOAADDFZJYOHJV-RNCFNFMXSA-N 1 0 312.757 1.966 20 5 DDBDRO O=C(Cc1ccccc1[N+](=O)[O-])N1CCN[C@H](c2cn[nH]c2)C1 ZINC001150609429 862349631 /nfs/dbraw/zinc/34/96/31/862349631.db2.gz XZIWWWDHHKZXCE-ZDUSSCGKSA-N 1 0 315.333 1.034 20 5 DDBDRO CN(CCC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)C(F)F ZINC001275825295 853822402 /nfs/dbraw/zinc/82/24/02/853822402.db2.gz RPOGUYWOPJJTCY-UHFFFAOYSA-N 1 0 301.293 1.798 20 5 DDBDRO CC1(NC(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC001121938401 858639575 /nfs/dbraw/zinc/63/95/75/858639575.db2.gz VBCFDLQUHIIQNE-KBPBESRZSA-N 1 0 303.362 1.957 20 5 DDBDRO Cc1c(C(=O)N2CCC[C@@H]([NH2+]CCO)C2)cccc1[N+](=O)[O-] ZINC001122172294 858702845 /nfs/dbraw/zinc/70/28/45/858702845.db2.gz BQUYMUBTXWSPIF-GFCCVEGCSA-N 1 0 307.350 1.090 20 5 DDBDRO COCC[C@H]1C[NH2+]CCN1C(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC001122312052 858748975 /nfs/dbraw/zinc/74/89/75/858748975.db2.gz DZGJTBQFNKKUQM-LBPRGKRZSA-N 1 0 323.349 1.054 20 5 DDBDRO [NH3+]C1CC2(C1)CC(NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C2 ZINC001122521862 858866237 /nfs/dbraw/zinc/86/62/37/858866237.db2.gz FTASGTNDLMFKHI-ZZXKWVIFSA-N 1 0 301.346 1.994 20 5 DDBDRO C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H]1C[N@H+](C)CCN1C ZINC001123318760 859173259 /nfs/dbraw/zinc/17/32/59/859173259.db2.gz SGLIXIFVRFAHAZ-SMDDNHRTSA-N 1 0 321.381 1.351 20 5 DDBDRO Cc1nnsc1C(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001123374181 859201177 /nfs/dbraw/zinc/20/11/77/859201177.db2.gz NMKAIJHYUJVASQ-UHFFFAOYSA-N 1 0 321.362 1.274 20 5 DDBDRO Cc1c(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)cnn1C ZINC001123592282 859317846 /nfs/dbraw/zinc/31/78/46/859317846.db2.gz RFCOMKFPGSQEQZ-UHFFFAOYSA-N 1 0 317.349 1.156 20 5 DDBDRO Cc1ncncc1C(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001124113679 859586664 /nfs/dbraw/zinc/58/66/64/859586664.db2.gz TZIVFXZVJMERHH-UHFFFAOYSA-N 1 0 315.333 1.213 20 5 DDBDRO CC[N@@H+]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])cc(C)n2)C1 ZINC001142515875 861171236 /nfs/dbraw/zinc/17/12/36/861171236.db2.gz BMRLKZJIFURTIE-GFCCVEGCSA-N 1 0 306.366 1.760 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])cnc1NCc1ccnc(N)c1 ZINC001156755966 863323320 /nfs/dbraw/zinc/32/33/20/863323320.db2.gz LMRMYTDEDZYMSA-UHFFFAOYSA-N 1 0 303.278 1.366 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCc2ccnc(N)c2)n1 ZINC001156764068 863329523 /nfs/dbraw/zinc/32/95/23/863329523.db2.gz QRFYRSUFOUHIPN-UHFFFAOYSA-N 1 0 303.278 1.366 20 5 DDBDRO O=[N+]([O-])c1ccc2ncc(NCC[NH+]3CCSCC3)nc2c1 ZINC001157044259 863536233 /nfs/dbraw/zinc/53/62/33/863536233.db2.gz UFKNCJXFRRQPCW-UHFFFAOYSA-N 1 0 319.390 1.999 20 5 DDBDRO CCC[NH+]1C[C@@H]2CN(c3c(C)c([N+](=O)[O-])cc[n+]3[O-])C[C@H]2C1 ZINC001157690358 864049909 /nfs/dbraw/zinc/04/99/09/864049909.db2.gz DDWXMWDIZRIWPX-CHWSQXEVSA-N 1 0 306.366 1.315 20 5 DDBDRO CC(C)Oc1nc(NC(=[NH2+])N2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC001157916404 864262082 /nfs/dbraw/zinc/26/20/82/864262082.db2.gz WTHOCDSRPAJWRD-UHFFFAOYSA-N 1 0 322.369 1.371 20 5 DDBDRO [NH3+][C@H]1CCc2nn(-c3cnc4ccc([N+](=O)[O-])cc4n3)cc2C1 ZINC001157980320 864327667 /nfs/dbraw/zinc/32/76/67/864327667.db2.gz RMNFVYAXHPJQAL-JTQLQIEISA-N 1 0 310.317 1.540 20 5 DDBDRO CC(F)(F)C(=O)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001154113982 864420155 /nfs/dbraw/zinc/42/01/55/864420155.db2.gz CEMHYMSKOAEXNT-UHFFFAOYSA-N 1 0 301.293 1.846 20 5 DDBDRO C[NH2+]C[C@H]1CCCCN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC001330937144 864718251 /nfs/dbraw/zinc/71/82/51/864718251.db2.gz CDPSJOVBQPODMI-CYBMUJFWSA-N 1 0 307.350 1.574 20 5 DDBDRO CCN(C(=O)Cc1ccc(OC)c([N+](=O)[O-])c1)[C@@H]1CC[NH2+]C1 ZINC001330999751 864764391 /nfs/dbraw/zinc/76/43/91/864764391.db2.gz JVHQMQGHRMSQJU-GFCCVEGCSA-N 1 0 307.350 1.356 20 5 DDBDRO C[C@@H](Nc1cc(/C=C/N(C)C)c([N+](=O)[O-])cn1)[C@H]1C[NH2+]CCO1 ZINC001159499416 865354926 /nfs/dbraw/zinc/35/49/26/865354926.db2.gz PXUDDCGYDIRBIR-JDRNFJBZSA-N 1 0 321.381 1.311 20 5 DDBDRO O=[N+]([O-])c1c(Cl)cc(Cl)nc1N[C@H]1C[NH2+]C[C@H]1CO ZINC001159677611 865465053 /nfs/dbraw/zinc/46/50/53/865465053.db2.gz LFEDJCJXSFPZKA-FSPLSTOPSA-N 1 0 307.137 1.289 20 5 DDBDRO CC[C@@]([NH3+])(CO)Nc1ccc(-c2ccccc2[N+](=O)[O-])nn1 ZINC001159748565 865500421 /nfs/dbraw/zinc/50/04/21/865500421.db2.gz REHHXKIGYHURHO-AWEZNQCLSA-N 1 0 303.322 1.521 20 5 DDBDRO Nc1cc([N+](=O)[O-])cnc1N1c2ccccc2OC[C@H]1C[NH3+] ZINC001160200319 865724548 /nfs/dbraw/zinc/72/45/48/865724548.db2.gz MWKOBKGPCSLEBP-SNVBAGLBSA-N 1 0 301.306 1.430 20 5 DDBDRO COCCC1(CNc2c(C)c([N+](=O)[O-])cc[n+]2[O-])CC[NH2+]CC1 ZINC001161503084 866719874 /nfs/dbraw/zinc/71/98/74/866719874.db2.gz APHRYXONJDOIPH-UHFFFAOYSA-N 1 0 324.381 1.355 20 5 DDBDRO COC(=O)c1ccc(C[NH3+])n1-c1ccc([N+](=O)[O-])c(OC)n1 ZINC001161934983 867113031 /nfs/dbraw/zinc/11/30/31/867113031.db2.gz KIKDBLYFAOZFDS-UHFFFAOYSA-N 1 0 306.278 1.034 20 5 DDBDRO CCOC1(OCC)CC[NH2+]C[C@H]1Nc1cccnc1[N+](=O)[O-] ZINC001162728481 867775822 /nfs/dbraw/zinc/77/58/22/867775822.db2.gz AIVVBJSTHZLEON-GFCCVEGCSA-N 1 0 310.354 1.533 20 5 DDBDRO COc1cnc(N2Cc3ccccc3C[C@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC001162740823 867789160 /nfs/dbraw/zinc/78/91/60/867789160.db2.gz UVOFAZCLLVGSAC-ZDUSSCGKSA-N 1 0 314.345 1.888 20 5 DDBDRO CN(C)/C=C/c1cc(N[C@@H]2C=C[C@H]3C[NH2+]C[C@H]32)ncc1[N+](=O)[O-] ZINC001162798734 867831690 /nfs/dbraw/zinc/83/16/90/867831690.db2.gz UMYKEWIYQUZRII-NXSDAKDHSA-N 1 0 315.377 1.708 20 5 DDBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N[C@@H]1C=C[C@@H]2C[NH2+]C[C@@H]12 ZINC001162798941 867833003 /nfs/dbraw/zinc/83/30/03/867833003.db2.gz VWXRWRPRRMSIQJ-OASPWFOLSA-N 1 0 318.333 1.352 20 5 DDBDRO COc1nc(N2C[C@H]([NH3+])Cc3ccccc32)nc(C)c1[N+](=O)[O-] ZINC001162846126 867863777 /nfs/dbraw/zinc/86/37/77/867863777.db2.gz ZJLZZFLWBKBRIR-LLVKDONJSA-N 1 0 315.333 1.723 20 5 DDBDRO COc1nc(C)c([N+](=O)[O-])c(NC2CC3(C2)CCC[NH2+]C3)n1 ZINC001162981498 867971167 /nfs/dbraw/zinc/97/11/67/867971167.db2.gz JATPTOVWAQKWGX-UHFFFAOYSA-N 1 0 307.354 1.646 20 5 DDBDRO Cc1c(NCc2nnc3n2CCC[NH2+]C3)cc(F)cc1[N+](=O)[O-] ZINC001163017655 868006308 /nfs/dbraw/zinc/00/63/08/868006308.db2.gz OYWZWGSFLIYFLM-UHFFFAOYSA-N 1 0 320.328 1.739 20 5 DDBDRO O=[N+]([O-])c1c(NC[C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)ccc2cnccc21 ZINC001163106264 868103889 /nfs/dbraw/zinc/10/38/89/868103889.db2.gz YKBABOGHFRRZBI-UXIGCNINSA-N 1 0 314.345 1.789 20 5 DDBDRO O=C1C[C@H]2[NH2+]CC[C@]2(Nc2nccc3c2cccc3[N+](=O)[O-])N1 ZINC001163236013 868241313 /nfs/dbraw/zinc/24/13/13/868241313.db2.gz DIYPEPWMVJSPLU-IUODEOHRSA-N 1 0 313.317 1.133 20 5 DDBDRO C[C@H](CC[S@@](C)=O)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001335445874 868303416 /nfs/dbraw/zinc/30/34/16/868303416.db2.gz ULJCRIVRAFKPLA-REWMRKHYSA-N 1 0 300.380 1.375 20 5 DDBDRO COc1cccc([C@H](C[NH3+])Nc2ncc([N+](=O)[O-])c(C)n2)c1 ZINC001163311438 868341058 /nfs/dbraw/zinc/34/10/58/868341058.db2.gz FCXAUMVLXKVUJT-LBPRGKRZSA-N 1 0 303.322 1.814 20 5 DDBDRO Cc1c(CNC(=O)N[C@]23CCC[C@H]2C[NH2+]C3)cccc1[N+](=O)[O-] ZINC001335560643 868385555 /nfs/dbraw/zinc/38/55/55/868385555.db2.gz QUNZGHFYCBADAH-BBRMVZONSA-N 1 0 318.377 1.845 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2C[C@]2(F)c2ccccc2)c1 ZINC001335986704 868663709 /nfs/dbraw/zinc/66/37/09/868663709.db2.gz PCQYNEDDDSCNPX-KFWWJZLASA-N 1 0 320.324 1.379 20 5 DDBDRO CN(c1cc2ccccc2c([N+](=O)[O-])c1)S(=O)(=O)CC[NH3+] ZINC001164299957 869100184 /nfs/dbraw/zinc/10/01/84/869100184.db2.gz DSXYKSOZVQJCIB-UHFFFAOYSA-N 1 0 309.347 1.473 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CCN2CC=CCC2)c1 ZINC001336771873 869132591 /nfs/dbraw/zinc/13/25/91/869132591.db2.gz ZMXYYBILLYNMCD-HNNXBMFYSA-N 1 0 321.377 1.186 20 5 DDBDRO COc1cncc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC001336817353 869163419 /nfs/dbraw/zinc/16/34/19/869163419.db2.gz CUVQRQQRIDQCSC-HNNXBMFYSA-N 1 0 303.318 1.822 20 5 DDBDRO C[C@H](NC(=O)N[C@H]1C[NH2+]CC1(C)C)c1ccccc1[N+](=O)[O-] ZINC001336946682 869230902 /nfs/dbraw/zinc/23/09/02/869230902.db2.gz LTMPUPGURUFRNU-GWCFXTLKSA-N 1 0 306.366 1.953 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001165088317 869367453 /nfs/dbraw/zinc/36/74/53/869367453.db2.gz LOTCGOYCADMTIX-UHFFFAOYSA-N 1 0 322.365 1.697 20 5 DDBDRO O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2C[C@H]3C[NH2+][C@H]3C2)c1 ZINC001165194373 869421000 /nfs/dbraw/zinc/42/10/00/869421000.db2.gz FVZMVQRBXJKPDT-MUWHJKNJSA-N 1 0 304.684 1.596 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1C[NH+]2CCC1CC2 ZINC001337356296 869450222 /nfs/dbraw/zinc/45/02/22/869450222.db2.gz JZNCWXMFHCFXON-ZDUSSCGKSA-N 1 0 305.334 1.427 20 5 DDBDRO Cc1nc2c(n1-c1cnc3ccc([N+](=O)[O-])cc3n1)CC[NH2+]CC2 ZINC001165352026 869537921 /nfs/dbraw/zinc/53/79/21/869537921.db2.gz LGPHBSXOEPRCLQ-UHFFFAOYSA-N 1 0 324.344 1.720 20 5 DDBDRO COc1cc2ncnc(N3CCC[C@H]4[NH2+]C[C@H]43)c2cc1[N+](=O)[O-] ZINC001165389246 869561291 /nfs/dbraw/zinc/56/12/91/869561291.db2.gz GCLLOBUKZFPRMC-ZWNOBZJWSA-N 1 0 315.333 1.487 20 5 DDBDRO CC(C)[N@H+](CCO)CC1CCN(c2ncc([N+](=O)[O-])cn2)CC1 ZINC001337970196 869722834 /nfs/dbraw/zinc/72/28/34/869722834.db2.gz HGQPHBZLQCANQO-UHFFFAOYSA-N 1 0 323.397 1.304 20 5 DDBDRO O=[N+]([O-])c1c(F)nccc1N1CCC([NH2+]C2CCOCC2)CC1 ZINC001338418677 869970063 /nfs/dbraw/zinc/97/00/63/869970063.db2.gz AWOJBTIGOQZHDG-UHFFFAOYSA-N 1 0 324.356 1.866 20 5 DDBDRO CC(C)[NH+]1CCC(CNc2ccc([N+](=O)[O-])c(C(N)=O)n2)CC1 ZINC001166594762 870086616 /nfs/dbraw/zinc/08/66/16/870086616.db2.gz UMOZISVBLGWIKC-UHFFFAOYSA-N 1 0 321.381 1.621 20 5 DDBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC001166899671 870352205 /nfs/dbraw/zinc/35/22/05/870352205.db2.gz BFBSCLNIOGHPKM-CYBMUJFWSA-N 1 0 306.366 1.505 20 5 DDBDRO O=C(Cc1cccc(F)c1[N+](=O)[O-])NC[C@H]1C[NH+]2CCC1CC2 ZINC001304523723 871220027 /nfs/dbraw/zinc/22/00/27/871220027.db2.gz CLCPEXHTMYJXHX-ZDUSSCGKSA-N 1 0 321.352 1.734 20 5 DDBDRO Cc1c(C[NH2+]CCCN2CCC[C@H]2C(N)=O)cccc1[N+](=O)[O-] ZINC001308469802 871500138 /nfs/dbraw/zinc/50/01/38/871500138.db2.gz VYZWEWMALWCWGS-HNNXBMFYSA-N 1 0 320.393 1.333 20 5 DDBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1C[C@H](O)C1 ZINC001308926675 871538377 /nfs/dbraw/zinc/53/83/77/871538377.db2.gz PIGGGSIRUJNXGJ-MJVIPROJSA-N 1 0 307.350 1.672 20 5 DDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC001341232178 871569314 /nfs/dbraw/zinc/56/93/14/871569314.db2.gz IYBZZWHPFSANBM-INIZCTEOSA-N 1 0 303.362 1.882 20 5 DDBDRO [NH3+]C1(CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC1 ZINC001341413860 871649381 /nfs/dbraw/zinc/64/93/81/871649381.db2.gz AVLUXRRACAFAGD-UHFFFAOYSA-N 1 0 321.380 1.762 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([NH2+]CCO)C1 ZINC001342333030 872152668 /nfs/dbraw/zinc/15/26/68/872152668.db2.gz ONDQEESHMOVGDJ-LBPRGKRZSA-N 1 0 307.350 1.090 20 5 DDBDRO Cc1c(CC(=O)N(C)CC2CC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC001342783189 872383287 /nfs/dbraw/zinc/38/32/87/872383287.db2.gz FZTJDZNBQGHVFC-UHFFFAOYSA-N 1 0 305.378 1.904 20 5 DDBDRO COc1cc(C(=O)N(C)[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc([N+](=O)[O-])c1C ZINC001343654376 872704145 /nfs/dbraw/zinc/70/41/45/872704145.db2.gz IEQKHWRQTBLYHZ-YABSGUDNSA-N 1 0 305.334 1.202 20 5 DDBDRO O=C(N[C@H]1COC2(C[NH2+]C2)C1)c1c(Cl)cccc1[N+](=O)[O-] ZINC001344000628 872831536 /nfs/dbraw/zinc/83/15/36/872831536.db2.gz UDRXDYJUBYQEFO-MRVPVSSYSA-N 1 0 311.725 1.109 20 5 DDBDRO C[C@H](NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)C(C)(C)C[NH+](C)C ZINC001344111691 872859263 /nfs/dbraw/zinc/85/92/63/872859263.db2.gz NTRWKWBIYMFHTR-FZMZJTMJSA-N 1 0 323.393 1.721 20 5 DDBDRO C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC001346379383 873724687 /nfs/dbraw/zinc/72/46/87/873724687.db2.gz VAQAYDBWNQFMRZ-ZZIHQOKHSA-N 1 0 306.362 1.969 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@H]2COC[C@@H]2C2CC2)c1 ZINC001353379124 877287995 /nfs/dbraw/zinc/28/79/95/877287995.db2.gz ZKIZCELQAUFULP-BMFZPTHFSA-N 1 0 322.361 1.349 20 5 DDBDRO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3cccc(F)c3[N+](=O)[O-])[C@@H]2C1 ZINC001353381038 877291511 /nfs/dbraw/zinc/29/15/11/877291511.db2.gz VCZPPKUIGIVHSD-OUCADQQQSA-N 1 0 321.352 1.733 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CC[C@H](OC[C@@H]3CCC[NH2+]C3)C2)nc1 ZINC001217907687 877354554 /nfs/dbraw/zinc/35/45/54/877354554.db2.gz CWBTVOFVTWWROK-OCCSQVGLSA-N 1 0 306.366 1.585 20 5 DDBDRO C[NH+]1CCC([C@@H]2CCN(c3cc(N)c([N+](=O)[O-])cn3)C2)CC1 ZINC001354140009 877774174 /nfs/dbraw/zinc/77/41/74/877774174.db2.gz KUKIRIHJQLVEIP-GFCCVEGCSA-N 1 0 305.382 1.740 20 5 DDBDRO CC(=O)NCCCCC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC001354721876 878175587 /nfs/dbraw/zinc/17/55/87/878175587.db2.gz GSWDRHCUKDHSQX-UHFFFAOYSA-N 1 0 323.397 1.735 20 5 DDBDRO COc1cc(C(=O)N2C[C@@H](C)[C@H](CC[NH3+])C2)cc([N+](=O)[O-])c1C ZINC001354720844 878175891 /nfs/dbraw/zinc/17/58/91/878175891.db2.gz VQZFIFOGWBRJKJ-ZYHUDNBSSA-N 1 0 321.377 1.969 20 5 DDBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1CCC2(CC1)C[NH2+]CCO2 ZINC001355170180 878453655 /nfs/dbraw/zinc/45/36/55/878453655.db2.gz NTKUVAAHUGBLOT-UHFFFAOYSA-N 1 0 305.334 1.189 20 5 DDBDRO CCn1c([C@H](C)[N+](=O)[O-])nnc1N(C)CC[NH+]1CCCCC1 ZINC001356352304 879011346 /nfs/dbraw/zinc/01/13/46/879011346.db2.gz RDXGHVCOOGJKKO-LBPRGKRZSA-N 1 0 310.402 1.558 20 5 DDBDRO C[NH2+]C[C@H](O)[C@@H](C)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001357484425 879996042 /nfs/dbraw/zinc/99/60/42/879996042.db2.gz FQCZXEXAAUPHFW-ABAIWWIYSA-N 1 0 321.377 1.302 20 5 DDBDRO C[C@H](CNC(=O)C[C@@H]1CSCC[NH2+]1)c1ccccc1[N+](=O)[O-] ZINC001358388262 880418313 /nfs/dbraw/zinc/41/83/13/880418313.db2.gz JDTYKPKMAKGJDE-VXGBXAGGSA-N 1 0 323.418 1.910 20 5 DDBDRO C[C@H](C[N+](C)(C)C)Oc1nc(=O)[nH]cc1[C@@H]1CCCC(=O)C1 ZINC001231380619 885582582 /nfs/dbraw/zinc/58/25/82/885582582.db2.gz NDQUNVQDKGPASA-VXGBXAGGSA-O 1 0 308.402 1.882 20 5 DDBDRO COc1ccc(C[C@@H](C)N[C@@H]2C[NH2+]CC[C@H]2F)c([N+](=O)[O-])c1 ZINC001246492358 892654566 /nfs/dbraw/zinc/65/45/66/892654566.db2.gz WGXGAKGSDZTTHE-LERXQTSPSA-N 1 0 311.357 1.824 20 5 DDBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc(CNC2CC[NH2+]CC2)n1 ZINC001247702227 893305746 /nfs/dbraw/zinc/30/57/46/893305746.db2.gz BWAAJABHSNWJRY-UHFFFAOYSA-N 1 0 322.300 1.021 20 5 DDBDRO N[C@H](C[NH3+])c1nc(-c2ccc3ccc4cccnc4c3n2)no1 ZINC001249127736 893832347 /nfs/dbraw/zinc/83/23/47/893832347.db2.gz WJLAGMXCCWSGCG-LLVKDONJSA-N 1 0 306.329 1.792 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]3COCC[C@@H]3O)CC2)cc1 ZINC001254466686 896454032 /nfs/dbraw/zinc/45/40/32/896454032.db2.gz LSNJUVQQTBSVJN-HOTGVXAUSA-N 1 0 321.377 1.303 20 5 DDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@]2(CCNC2=O)C1 ZINC001254553084 896497943 /nfs/dbraw/zinc/49/79/43/896497943.db2.gz RWVQEIUHSFCQJW-BLLLJJGKSA-N 1 0 303.362 1.738 20 5 DDBDRO CCOC(=O)[C@H]1C[C@@H]([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254580153 896514214 /nfs/dbraw/zinc/51/42/14/896514214.db2.gz ZHAQRKTVPARSQZ-MELADBBJSA-N 1 0 304.346 1.993 20 5 DDBDRO CN1CCC(CO)([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254596739 896521197 /nfs/dbraw/zinc/52/11/97/896521197.db2.gz FVJBFWZMDBNDHW-AWEZNQCLSA-N 1 0 305.378 1.108 20 5 DDBDRO Cc1ccncc1C[N@@H+](C)CCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001280814759 904075412 /nfs/dbraw/zinc/07/54/12/904075412.db2.gz SBILOZSDEUMDFU-HUUCEWRRSA-N 1 0 320.393 1.336 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(C(=O)NCC2CC[NH+](C3CC3)CC2)n1 ZINC001297258041 916844360 /nfs/dbraw/zinc/84/43/60/916844360.db2.gz QCYIEWBZTFWNKE-UHFFFAOYSA-N 1 0 318.377 1.902 20 5 DDBDRO CC[NH+](CC)[C@@H](C)CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000076962889 185061580 /nfs/dbraw/zinc/06/15/80/185061580.db2.gz VBBPHEUDTPZGLU-VIFPVBQESA-N 1 0 312.345 1.776 20 5 DDBDRO COC[C@]1(CO)CC[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000449696252 230634075 /nfs/dbraw/zinc/63/40/75/230634075.db2.gz KCALNIBYFNQFIW-OAHLLOKOSA-N 1 0 310.350 1.434 20 5 DDBDRO C[C@H]1CC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)[C@H]1CO ZINC000248915823 282117514 /nfs/dbraw/zinc/11/75/14/282117514.db2.gz JUXRGGWZYHVNBA-GWCFXTLKSA-N 1 0 318.333 1.848 20 5 DDBDRO CCc1n[nH]c(C(=O)N2CCC(CC[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000278560181 214237718 /nfs/dbraw/zinc/23/77/18/214237718.db2.gz JIJMFBHDEKWALA-UHFFFAOYSA-N 1 0 323.397 1.684 20 5 DDBDRO C[N@H+](CCCCCO)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000278728456 214359485 /nfs/dbraw/zinc/35/94/85/214359485.db2.gz AQCOEQJYWBOFAF-AWEZNQCLSA-N 1 0 312.366 1.429 20 5 DDBDRO C[NH+](C)C1(CNC(=O)c2cc([N+](=O)[O-])cnc2N)CCCC1 ZINC000318741184 231175129 /nfs/dbraw/zinc/17/51/29/231175129.db2.gz SODJJTFHAUXINC-UHFFFAOYSA-N 1 0 307.354 1.176 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@H]2CCC[C@H]2CCO)c1 ZINC000279272325 214752630 /nfs/dbraw/zinc/75/26/30/214752630.db2.gz NNGDVCIWFHJFAU-BJJXKVORSA-N 1 0 324.377 1.475 20 5 DDBDRO CC[C@H]([NH2+]CCN1C(=O)N[C@@H](C)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000459392955 529601547 /nfs/dbraw/zinc/60/15/47/529601547.db2.gz XAHILMXUBKWYFG-GWCFXTLKSA-N 1 0 320.349 1.576 20 5 DDBDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000425054901 529822660 /nfs/dbraw/zinc/82/26/60/529822660.db2.gz FWSLFWCRJBETSP-IINYFYTJSA-N 1 0 307.325 1.900 20 5 DDBDRO CN(CC[N@H+](C)C1CCCCC1)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000299296219 529903406 /nfs/dbraw/zinc/90/34/06/529903406.db2.gz RPOJOBLIWSOLPX-UHFFFAOYSA-N 1 0 323.397 1.514 20 5 DDBDRO C[NH2+]C[C@H](C)CNS(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000193278120 290717570 /nfs/dbraw/zinc/71/75/70/290717570.db2.gz KNNOXCZINXJJLQ-VIFPVBQESA-N 1 0 315.395 1.345 20 5 DDBDRO C[NH2+]CCCNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000414948637 529970011 /nfs/dbraw/zinc/97/00/11/529970011.db2.gz MLGITFCRDRHBBP-UHFFFAOYSA-N 1 0 318.280 1.927 20 5 DDBDRO CN(CC(=O)NC(C)(C)CCC[NH3+])c1ccccc1[N+](=O)[O-] ZINC000293678460 282352529 /nfs/dbraw/zinc/35/25/29/282352529.db2.gz NSVBTFLRVHHHLG-UHFFFAOYSA-N 1 0 308.382 1.665 20 5 DDBDRO C[NH+]1CCC(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC000446880897 530047893 /nfs/dbraw/zinc/04/78/93/530047893.db2.gz KDUZDYUFKUNYTM-UHFFFAOYSA-N 1 0 303.362 1.821 20 5 DDBDRO CC1(C)[C@H]([NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H]2CCO[C@H]21 ZINC000296177544 282366843 /nfs/dbraw/zinc/36/68/43/282366843.db2.gz LFUOTXCCEZNVNU-MRVWCRGKSA-N 1 0 319.361 1.597 20 5 DDBDRO Cc1nn(CCC(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000330889533 232139780 /nfs/dbraw/zinc/13/97/80/232139780.db2.gz BJXQGIRQTPTWCZ-GXFFZTMASA-N 1 0 323.397 1.397 20 5 DDBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000181834920 199359406 /nfs/dbraw/zinc/35/94/06/199359406.db2.gz MRBGUDCGXAZFQS-LBPRGKRZSA-N 1 0 307.350 1.413 20 5 DDBDRO C[C@@H]1C[C@@H](C[NH3+])CN1S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000126853909 297250494 /nfs/dbraw/zinc/25/04/94/297250494.db2.gz KMIPYVAZXFXNKU-BDAKNGLRSA-N 1 0 317.342 1.092 20 5 DDBDRO C[N@H+](CCNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1)C1CC1 ZINC000272609233 210008758 /nfs/dbraw/zinc/00/87/58/210008758.db2.gz WLCRWKONJCWMRM-UHFFFAOYSA-N 1 0 321.362 1.424 20 5 DDBDRO C[N@H+](CCCCCO)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000279795926 215152836 /nfs/dbraw/zinc/15/28/36/215152836.db2.gz WCKFUWJLFUJYQA-CYBMUJFWSA-N 1 0 312.366 1.429 20 5 DDBDRO Cc1ccc([C@@H](C)[NH2+]CCN2C(=O)N[C@@H](C)C2=O)cc1[N+](=O)[O-] ZINC000459388729 233153514 /nfs/dbraw/zinc/15/35/14/233153514.db2.gz PFINXEZRLVIDKS-MNOVXSKESA-N 1 0 320.349 1.494 20 5 DDBDRO CN(C(=O)Cc1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000358458809 299159012 /nfs/dbraw/zinc/15/90/12/299159012.db2.gz CJAGPNDINHXRHK-OAHLLOKOSA-N 1 0 303.362 1.832 20 5 DDBDRO CCc1n[nH]c(C(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)c1[N+](=O)[O-] ZINC000287100141 219313169 /nfs/dbraw/zinc/31/31/69/219313169.db2.gz LIENOEOBFRFOQW-PWSUYJOCSA-N 1 0 321.381 1.579 20 5 DDBDRO CCCC[C@@H](C[NH3+])NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000150289725 186055839 /nfs/dbraw/zinc/05/58/39/186055839.db2.gz JALKBWULICICMV-LBPRGKRZSA-N 1 0 315.395 1.532 20 5 DDBDRO [NH3+]C1(C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)CCCC1 ZINC000194281521 186276004 /nfs/dbraw/zinc/27/60/04/186276004.db2.gz WQWJMNKEWWRHNT-UHFFFAOYSA-N 1 0 318.377 1.515 20 5 DDBDRO CC[C@@H]1CN(c2cc(C)c([N+](=O)[O-])cn2)CC[N@@H+]1CCOC ZINC000266853258 186359687 /nfs/dbraw/zinc/35/96/87/186359687.db2.gz SBILWHQGQBJKDM-CYBMUJFWSA-N 1 0 308.382 1.845 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H](C)[NH+](C)C ZINC000030338183 352252015 /nfs/dbraw/zinc/25/20/15/352252015.db2.gz ZQSNKMIOWZGKPR-JTQLQIEISA-N 1 0 301.368 1.132 20 5 DDBDRO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC000041886263 352317011 /nfs/dbraw/zinc/31/70/11/352317011.db2.gz ORSGZGVQTWBHPD-LLVKDONJSA-N 1 0 323.349 1.389 20 5 DDBDRO C[C@@H]1CCC[N@H+](CCNC(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000046863488 352466367 /nfs/dbraw/zinc/46/63/67/352466367.db2.gz KZKZRBGGVBEHAY-CYBMUJFWSA-N 1 0 321.377 1.822 20 5 DDBDRO CCNC(=O)CC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000072665095 191210880 /nfs/dbraw/zinc/21/08/80/191210880.db2.gz CCOAJPLKMIWBFW-LLVKDONJSA-N 1 0 307.354 1.002 20 5 DDBDRO O=C(COc1ccccc1[N+](=O)[O-])N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000046995088 352475663 /nfs/dbraw/zinc/47/56/63/352475663.db2.gz DHVZYKURDPKTGB-QWHCGFSZSA-N 1 0 319.361 1.717 20 5 DDBDRO C[C@H](Cc1ccsc1)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000049181776 352552521 /nfs/dbraw/zinc/55/25/21/352552521.db2.gz MGLSQRQJOYEGFC-ZWNOBZJWSA-N 1 0 310.379 1.435 20 5 DDBDRO C[N@@H+]1CCC[C@@H](NC(=O)NCCNc2ccccc2[N+](=O)[O-])C1 ZINC000052502284 352613008 /nfs/dbraw/zinc/61/30/08/352613008.db2.gz HOTCTJGMJXNREZ-GFCCVEGCSA-N 1 0 321.381 1.400 20 5 DDBDRO COCC[N@H+](C)CCCNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000173087114 198183899 /nfs/dbraw/zinc/18/38/99/198183899.db2.gz NXJBEWYRLZVNHB-UHFFFAOYSA-N 1 0 309.366 1.222 20 5 DDBDRO CN1CC[NH+](CC2CCN(c3ccc([N+](=O)[O-])cn3)CC2)CC1 ZINC000057151550 352801409 /nfs/dbraw/zinc/80/14/09/352801409.db2.gz GMFNFAXCWLZLBW-UHFFFAOYSA-N 1 0 319.409 1.454 20 5 DDBDRO O=[N+]([O-])c1ccc(NCCC[NH+]2CCC(O)CC2)c([N+](=O)[O-])c1 ZINC000059363437 352862263 /nfs/dbraw/zinc/86/22/63/352862263.db2.gz SAZNGPKQFNGWJT-UHFFFAOYSA-N 1 0 324.337 1.762 20 5 DDBDRO O=[N+]([O-])c1ccc(CN2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000057885175 352833357 /nfs/dbraw/zinc/83/33/57/352833357.db2.gz GWPAGSGSSJZSOT-MRXNPFEDSA-N 1 0 305.378 1.891 20 5 DDBDRO C[NH+](C)[C@H]1CCCN(C(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000068341137 353104740 /nfs/dbraw/zinc/10/47/40/353104740.db2.gz QPFVXQLQTYYFIR-ZDUSSCGKSA-N 1 0 320.393 1.949 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000068486296 353115098 /nfs/dbraw/zinc/11/50/98/353115098.db2.gz PBGFSQMVGYBMMQ-LBPRGKRZSA-N 1 0 307.350 1.770 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000068226857 353097524 /nfs/dbraw/zinc/09/75/24/353097524.db2.gz KVLSOTTXTCJKNJ-RYUDHWBXSA-N 1 0 323.397 1.336 20 5 DDBDRO CCCC[N@H+](CCO)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000072950596 353227438 /nfs/dbraw/zinc/22/74/38/353227438.db2.gz NSYJNWSZOHDARL-UHFFFAOYSA-N 1 0 309.366 1.936 20 5 DDBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000073786984 353270869 /nfs/dbraw/zinc/27/08/69/353270869.db2.gz UKLBSJLPLOQZBI-CQSZACIVSA-N 1 0 306.366 1.878 20 5 DDBDRO CC[C@H](C(N)=O)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174246174 198310250 /nfs/dbraw/zinc/31/02/50/198310250.db2.gz QIOLPISHALYHRI-CQSZACIVSA-N 1 0 307.350 1.702 20 5 DDBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000174472904 198338681 /nfs/dbraw/zinc/33/86/81/198338681.db2.gz KRWWZHFRJFUCDZ-LLVKDONJSA-N 1 0 306.366 1.591 20 5 DDBDRO Cc1c(NC(=O)CC[N@@H+]2CC[C@H](CO)C2)cccc1[N+](=O)[O-] ZINC000174703869 198373083 /nfs/dbraw/zinc/37/30/83/198373083.db2.gz FBDHPAMSJHYYHN-LBPRGKRZSA-N 1 0 307.350 1.546 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCC1(O)CC[NH+](C)CC1 ZINC000077658632 353480630 /nfs/dbraw/zinc/48/06/30/353480630.db2.gz XULDFRNQUHWPNT-UHFFFAOYSA-N 1 0 322.365 1.481 20 5 DDBDRO CCCC[N@H+](C)CCNC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000080223515 353597598 /nfs/dbraw/zinc/59/75/98/353597598.db2.gz SFUYWPNXCHPANG-UHFFFAOYSA-N 1 0 322.409 1.879 20 5 DDBDRO COC1CC[NH+](CCNC(=O)c2ccc([N+](=O)[O-])cc2C)CC1 ZINC000079683103 353573198 /nfs/dbraw/zinc/57/31/98/353573198.db2.gz WSEAZPQSWHPUHT-UHFFFAOYSA-N 1 0 321.377 1.744 20 5 DDBDRO Cc1cc(S(=O)(=O)NC2CC[NH+](C)CC2)c([N+](=O)[O-])s1 ZINC000601291080 358480087 /nfs/dbraw/zinc/48/00/87/358480087.db2.gz FSDWOVHBIICZPJ-UHFFFAOYSA-N 1 0 319.408 1.337 20 5 DDBDRO CCc1nn(C)c(NC2CCN(CC[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000094135119 353911042 /nfs/dbraw/zinc/91/10/42/353911042.db2.gz CWRULBBZMQIXGF-UHFFFAOYSA-N 1 0 324.429 1.329 20 5 DDBDRO COc1ccc(OCC[N@@H+]2CC[C@@H](C)[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC000093344045 353897586 /nfs/dbraw/zinc/89/75/86/353897586.db2.gz WOZGRMFGWORLDC-RISCZKNCSA-N 1 0 310.350 1.685 20 5 DDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000142316738 354144127 /nfs/dbraw/zinc/14/41/27/354144127.db2.gz QTOISPKTXTYWLD-HNNXBMFYSA-N 1 0 303.362 1.834 20 5 DDBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H]1C[NH2+]CCO1 ZINC000236797456 202013636 /nfs/dbraw/zinc/01/36/36/202013636.db2.gz OHCQDIGCMNYAAJ-AWEZNQCLSA-N 1 0 307.350 1.320 20 5 DDBDRO CSc1ccc(C(=O)N2CCN(C)C[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000162527738 354246060 /nfs/dbraw/zinc/24/60/60/354246060.db2.gz BEBKQBFTKWBDBA-LLVKDONJSA-N 1 0 324.406 1.032 20 5 DDBDRO CSc1ccc(C(=O)N2CCN(C)C[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000162527851 354246415 /nfs/dbraw/zinc/24/64/15/354246415.db2.gz BEBKQBFTKWBDBA-NSHDSACASA-N 1 0 324.406 1.032 20 5 DDBDRO O=C(/C=C\c1cccc([N+](=O)[O-])c1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000493407470 234804689 /nfs/dbraw/zinc/80/46/89/234804689.db2.gz ZBLOEFHOHSQGKR-QDPGXPNISA-N 1 0 301.346 1.818 20 5 DDBDRO CCC[NH+]1CCC(Nc2cc(N)c([N+](=O)[O-])c(CO)c2)CC1 ZINC000587019708 354878271 /nfs/dbraw/zinc/87/82/71/354878271.db2.gz GYPBMZLWPPHPNR-UHFFFAOYSA-N 1 0 308.382 1.956 20 5 DDBDRO C[NH+](C)CC1CCN(c2cc(N)c([N+](=O)[O-])c(CO)c2)CC1 ZINC000587309751 354881912 /nfs/dbraw/zinc/88/19/12/354881912.db2.gz PARLWXBWZIMPJL-UHFFFAOYSA-N 1 0 308.382 1.447 20 5 DDBDRO CC[C@@H]1CN(C(=O)NCCc2cccc([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000591356127 355297934 /nfs/dbraw/zinc/29/79/34/355297934.db2.gz RCDGNWQRNKFMHL-UKRRQHHQSA-N 1 0 320.393 1.906 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000591448717 355314400 /nfs/dbraw/zinc/31/44/00/355314400.db2.gz OUEKGDCHTJMEOP-DOMZBBRYSA-N 1 0 318.377 1.526 20 5 DDBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]C[C@@H]2C[C@H](F)CN2)n1 ZINC000591579927 355330106 /nfs/dbraw/zinc/33/01/06/355330106.db2.gz ABDSFLNUEPOZJV-RVMXOQNASA-N 1 0 311.361 1.565 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@@H]1CCCSC1 ZINC000591749700 355376436 /nfs/dbraw/zinc/37/64/36/355376436.db2.gz QPNUHDYNZIRZRA-NEPJUHHUSA-N 1 0 312.391 1.820 20 5 DDBDRO Cc1ccnc(N2CCOC3(CC[NH+](C)CC3)C2)c1[N+](=O)[O-] ZINC000591991225 355455388 /nfs/dbraw/zinc/45/53/88/355455388.db2.gz HHGAWCPYNQFEDS-UHFFFAOYSA-N 1 0 306.366 1.599 20 5 DDBDRO CCOC(=O)c1cc(C(=O)N(C)CCC[NH3+])cc([N+](=O)[O-])c1 ZINC000592298046 355554236 /nfs/dbraw/zinc/55/42/36/355554236.db2.gz DAKQXNXIRLCRGS-UHFFFAOYSA-N 1 0 309.322 1.192 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[NH2+][C@@H](C(C)C)C1 ZINC000592484929 355596072 /nfs/dbraw/zinc/59/60/72/355596072.db2.gz JCVQMVXHZFDNIX-OAHLLOKOSA-N 1 0 320.393 1.772 20 5 DDBDRO Cc1nn(CCc2nc([C@H]3CCC[NH2+]3)no2)c(C)c1[N+](=O)[O-] ZINC000592356998 355566037 /nfs/dbraw/zinc/56/60/37/355566037.db2.gz PKORQYDBFATWGV-SNVBAGLBSA-N 1 0 306.326 1.458 20 5 DDBDRO CC(C)(NC(=O)COC1(C)C[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000592540148 355621873 /nfs/dbraw/zinc/62/18/73/355621873.db2.gz XCIZUJGIKJXNGA-UHFFFAOYSA-N 1 0 307.350 1.325 20 5 DDBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000592544308 355622280 /nfs/dbraw/zinc/62/22/80/355622280.db2.gz BSYJFKVNWQRMDI-BXUZGUMPSA-N 1 0 321.402 1.897 20 5 DDBDRO CC1([NH3+])CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000592543880 355622659 /nfs/dbraw/zinc/62/26/59/355622659.db2.gz UKGHFVFOQDPCMR-UHFFFAOYSA-N 1 0 307.306 1.277 20 5 DDBDRO C[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)C[C@H](C)[N@H+]1C ZINC000358724215 299232931 /nfs/dbraw/zinc/23/29/31/299232931.db2.gz MSQULGKJPUQHHG-PHIMTYICSA-N 1 0 309.341 1.827 20 5 DDBDRO C[C@@H]1[C@H](C(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000592763600 355680918 /nfs/dbraw/zinc/68/09/18/355680918.db2.gz WOCVDDHTKMMYSU-BXUZGUMPSA-N 1 0 307.350 1.430 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+]C(C)(C)CC(N)=O)c1 ZINC000593025612 355773364 /nfs/dbraw/zinc/77/33/64/355773364.db2.gz ZYTNRSWJJREDJS-UHFFFAOYSA-N 1 0 309.322 1.125 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NCCC[N@@H+](C)CC(C)C ZINC000593204359 355823761 /nfs/dbraw/zinc/82/37/61/355823761.db2.gz OMNMAUZTCAVPPN-UHFFFAOYSA-N 1 0 311.386 1.194 20 5 DDBDRO NC(=O)[C@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000593723949 355977342 /nfs/dbraw/zinc/97/73/42/355977342.db2.gz VOIGFRWNSKYNMR-WRWGMCAJSA-N 1 0 307.354 1.129 20 5 DDBDRO C[C@@H]1CN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@H]1C[NH3+] ZINC000601327621 358499680 /nfs/dbraw/zinc/49/96/80/358499680.db2.gz XRCCWHSOLFIOBB-VXGBXAGGSA-N 1 0 306.366 1.084 20 5 DDBDRO O=C(CCN[C@]12CCC[C@@H]1C[NH2+]C2)Nc1ccc([N+](=O)[O-])cc1 ZINC000601328726 358500138 /nfs/dbraw/zinc/50/01/38/358500138.db2.gz XFIXGJNJTLBTEP-WBMJQRKESA-N 1 0 318.377 1.655 20 5 DDBDRO Cc1c(CNC(=O)[C@@H]2C[C@]23CCC[NH2+]C3)cccc1[N+](=O)[O-] ZINC000594446300 356219250 /nfs/dbraw/zinc/21/92/50/356219250.db2.gz PKUQVFDNTIAAGE-BBRMVZONSA-N 1 0 303.362 1.909 20 5 DDBDRO Cc1n[nH]c(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000594418451 356204004 /nfs/dbraw/zinc/20/40/04/356204004.db2.gz JBAFFCZSRDJNJH-WDEREUQCSA-N 1 0 307.354 1.373 20 5 DDBDRO O=C([C@@H]1C[C@]12CCC[NH2+]C2)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000594427179 356208262 /nfs/dbraw/zinc/20/82/62/356208262.db2.gz GMMGANKSBCFFBR-BBRMVZONSA-N 1 0 301.346 1.874 20 5 DDBDRO Cn1cnc(CCC[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])n1 ZINC000594506859 356239838 /nfs/dbraw/zinc/23/98/38/356239838.db2.gz FVXVCXWWVIJJQR-CYBMUJFWSA-N 1 0 301.350 1.933 20 5 DDBDRO COc1cc(C[NH2+]CC2CCC(O)CC2)c([N+](=O)[O-])cc1O ZINC000594990814 356369447 /nfs/dbraw/zinc/36/94/47/356369447.db2.gz AMYBHZXBTRZADG-UHFFFAOYSA-N 1 0 310.350 1.950 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H]1CC[C@@H](CO)O1 ZINC000595038852 356375117 /nfs/dbraw/zinc/37/51/17/356375117.db2.gz PFXIALWRYMCNAT-RTXFEEFZSA-N 1 0 310.350 1.794 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CCC(=O)N(C)C1 ZINC000595006492 356371289 /nfs/dbraw/zinc/37/12/89/356371289.db2.gz ASWZQFOAJUTKNV-WDEREUQCSA-N 1 0 307.350 1.875 20 5 DDBDRO [NH3+]C1(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC2(CCC2)C1 ZINC000595247940 356417232 /nfs/dbraw/zinc/41/72/32/356417232.db2.gz CARVYXAHFUNEDH-UHFFFAOYSA-N 1 0 303.362 1.915 20 5 DDBDRO CC(C)[C@@](C)(C[NH3+])NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000236836162 202032447 /nfs/dbraw/zinc/03/24/47/202032447.db2.gz OLBWIPJUNHXECY-CQSZACIVSA-N 1 0 305.338 1.574 20 5 DDBDRO O=C(C[NH2+][C@H](CO)C1CCC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000595617472 356579060 /nfs/dbraw/zinc/57/90/60/356579060.db2.gz ULDVRZQIAPWILE-CQSZACIVSA-N 1 0 319.361 1.235 20 5 DDBDRO Cc1cc(S(=O)(=O)N2CC[NH2+][C@H](C)[C@H]2C)c([N+](=O)[O-])s1 ZINC000601342914 358507863 /nfs/dbraw/zinc/50/78/63/358507863.db2.gz GDCMRTJYLAAHLD-RKDXNWHRSA-N 1 0 319.408 1.336 20 5 DDBDRO CN(CC(=O)N1CCC[C@@H](C[NH3+])C1)c1ccccc1[N+](=O)[O-] ZINC000237021550 202126160 /nfs/dbraw/zinc/12/61/60/202126160.db2.gz ISGNUEAIIJVJPP-LBPRGKRZSA-N 1 0 306.366 1.228 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000595905845 356699712 /nfs/dbraw/zinc/69/97/12/356699712.db2.gz HMHBBSVTEANNCF-CHWSQXEVSA-N 1 0 324.356 1.603 20 5 DDBDRO [NH3+]CC12CC(C1)CN2C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000595965733 356727648 /nfs/dbraw/zinc/72/76/48/356727648.db2.gz JCSFELCIFHTXPH-UHFFFAOYSA-N 1 0 307.375 1.637 20 5 DDBDRO C[NH2+]C[C@@H](C)NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000595983457 356735559 /nfs/dbraw/zinc/73/55/59/356735559.db2.gz OKCYGUPEMVTNFC-SECBINFHSA-N 1 0 315.757 1.741 20 5 DDBDRO C[C@]1(NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[NH2+]C1 ZINC000596048030 356753184 /nfs/dbraw/zinc/75/31/84/356753184.db2.gz DGQJRBOJHCQSEL-NSHDSACASA-N 1 0 319.770 1.279 20 5 DDBDRO CCc1ccc(S(=O)(=O)N[C@]2(C)CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000596052764 356754283 /nfs/dbraw/zinc/75/42/83/356754283.db2.gz YAOBKYIXKUBFNS-CYBMUJFWSA-N 1 0 313.379 1.188 20 5 DDBDRO CC1(C)OCC[C@@H]1C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000596067173 356760417 /nfs/dbraw/zinc/76/04/17/356760417.db2.gz UPWYFRXMPIEPTL-TZMCWYRMSA-N 1 0 324.377 1.739 20 5 DDBDRO CC(C)(C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CC(F)(F)F ZINC000596070876 356761370 /nfs/dbraw/zinc/76/13/70/356761370.db2.gz UJFWOFCQUFXWQH-JTQLQIEISA-N 1 0 324.303 1.720 20 5 DDBDRO CC(C)[N@@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596091651 356769089 /nfs/dbraw/zinc/76/90/89/356769089.db2.gz BJYBEUYKOFCROQ-NSHDSACASA-N 1 0 306.366 1.836 20 5 DDBDRO C[NH+](C)CCn1cc(Nc2c(Cl)cncc2[N+](=O)[O-])cn1 ZINC000596096073 356770774 /nfs/dbraw/zinc/77/07/74/356770774.db2.gz AECCNKKUESXSGO-UHFFFAOYSA-N 1 0 310.745 1.567 20 5 DDBDRO CC[N@@H+]1CC[C@H](N(C)c2ccc([N+](=O)[O-])c(C(N)=O)c2)[C@@H](C)C1 ZINC000596136091 356786407 /nfs/dbraw/zinc/78/64/07/356786407.db2.gz HCUIDCOHBPWMAQ-FZMZJTMJSA-N 1 0 320.393 1.860 20 5 DDBDRO CN(C(=O)COc1ccccc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000237209447 202190411 /nfs/dbraw/zinc/19/04/11/202190411.db2.gz NMJPXJKRSJQRKN-FUNVUKJBSA-N 1 0 319.361 1.715 20 5 DDBDRO C[C@H](CCNC(=O)NCCc1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000596419580 356873317 /nfs/dbraw/zinc/87/33/17/356873317.db2.gz VABHKEVPVHLECV-GFCCVEGCSA-N 1 0 308.382 1.777 20 5 DDBDRO O=[N+]([O-])c1ncccc1N1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000596267173 356838974 /nfs/dbraw/zinc/83/89/74/356838974.db2.gz XZJINMNVVGHPSC-UHFFFAOYSA-N 1 0 306.366 1.321 20 5 DDBDRO COc1cc(C(=O)N2CCC([NH3+])CC2)c([N+](=O)[O-])cc1OC ZINC000237228557 202197546 /nfs/dbraw/zinc/19/75/46/202197546.db2.gz HMQWKQHVFLTQTI-UHFFFAOYSA-N 1 0 309.322 1.175 20 5 DDBDRO C[C@@H](C[NH+]1CCC(C)CC1)Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000596490026 356895522 /nfs/dbraw/zinc/89/55/22/356895522.db2.gz ZTAUZOUTNMAMMS-NSHDSACASA-N 1 0 321.381 1.621 20 5 DDBDRO O=C(NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1cc([N+](=O)[O-])c[nH]1 ZINC000596499065 356898497 /nfs/dbraw/zinc/89/84/97/356898497.db2.gz MDFIEPGTTUEJLM-LBPRGKRZSA-N 1 0 306.366 1.775 20 5 DDBDRO C[NH+](C)CC1CN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000597705895 357293904 /nfs/dbraw/zinc/29/39/04/357293904.db2.gz KNMPNMAWUQGXNF-UHFFFAOYSA-N 1 0 313.304 1.436 20 5 DDBDRO CCOc1cc(C[N@H+](C)CC(C)(CO)CO)ccc1[N+](=O)[O-] ZINC000276828347 213119383 /nfs/dbraw/zinc/11/93/83/213119383.db2.gz AOPDVEJIGQTQFL-UHFFFAOYSA-N 1 0 312.366 1.416 20 5 DDBDRO [NH3+][C@@]12CCC[C@@H]1CN(C(=O)CCNc1ccccc1[N+](=O)[O-])C2 ZINC000598670704 357679142 /nfs/dbraw/zinc/67/91/42/357679142.db2.gz XHLKMDCSPDPCGW-MLGOLLRUSA-N 1 0 318.377 1.737 20 5 DDBDRO CC(C)[C@@H]1CN(C(=O)COc2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000598574137 357638194 /nfs/dbraw/zinc/63/81/94/357638194.db2.gz KNTZEKUNLKBTNQ-LBPRGKRZSA-N 1 0 307.350 1.430 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000599082433 357809689 /nfs/dbraw/zinc/80/96/89/357809689.db2.gz BWORBRGPIFDDOW-JYAVWHMHSA-N 1 0 319.361 1.686 20 5 DDBDRO CCOc1ccc([C@H](C)[NH2+]CCN2CC[C@H](O)C2)cc1[N+](=O)[O-] ZINC000599094339 357814543 /nfs/dbraw/zinc/81/45/43/357814543.db2.gz UILYBRRFSYGYAP-JSGCOSHPSA-N 1 0 323.393 1.711 20 5 DDBDRO C[C@@H]1C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H](C)C1(F)F ZINC000599512295 357960662 /nfs/dbraw/zinc/96/06/62/357960662.db2.gz HVGFEBSTIIXEKL-UMNHJUIQSA-N 1 0 318.324 1.375 20 5 DDBDRO C[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])CC1(C)COC1 ZINC000599571622 357979619 /nfs/dbraw/zinc/97/96/19/357979619.db2.gz OAGMOXKFALISAH-GFCCVEGCSA-N 1 0 310.350 1.303 20 5 DDBDRO C[N@H+](CC1(C)COC1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000599571972 357979739 /nfs/dbraw/zinc/97/97/39/357979739.db2.gz ZADGJMCMQQVYHR-AWEZNQCLSA-N 1 0 319.361 1.668 20 5 DDBDRO C[NH2+]CCOCCN(C)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000599605141 357990513 /nfs/dbraw/zinc/99/05/13/357990513.db2.gz TVIQGLQRIGUEQX-UHFFFAOYSA-N 1 0 324.381 1.911 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCc3nc(C4CC4)ncc3C2)c1 ZINC000599620268 357994906 /nfs/dbraw/zinc/99/49/06/357994906.db2.gz TZTMVWPBFZBTSS-UHFFFAOYSA-N 1 0 314.349 1.517 20 5 DDBDRO C[C@]1(CO)C[N@@H+](CCOc2ccccc2[N+](=O)[O-])C[C@@]1(C)CO ZINC000599622555 357995850 /nfs/dbraw/zinc/99/58/50/357995850.db2.gz GBFOGNFLWWIZTG-IYBDPMFKSA-N 1 0 324.377 1.286 20 5 DDBDRO C[C@@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000179863079 199088913 /nfs/dbraw/zinc/08/89/13/199088913.db2.gz NHURVNNSUMGQCF-GFCCVEGCSA-N 1 0 321.377 1.962 20 5 DDBDRO C[C@H](NC(=O)N(C)CCOCC[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000599906321 358077833 /nfs/dbraw/zinc/07/78/33/358077833.db2.gz BJEWLOLDWXLOAB-NSHDSACASA-N 1 0 310.354 1.273 20 5 DDBDRO CC(C)[C@@H]1C[NH2+]CCN1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000599910028 358079005 /nfs/dbraw/zinc/07/90/05/358079005.db2.gz KJBOGPVDBXCMKT-AWEZNQCLSA-N 1 0 306.366 1.734 20 5 DDBDRO C[NH2+]CCOCCN(C)C(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000599918444 358080188 /nfs/dbraw/zinc/08/01/88/358080188.db2.gz PVRVGJQHPSZCPV-LBPRGKRZSA-N 1 0 324.381 1.533 20 5 DDBDRO C[NH2+]CCOCCNC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000599937971 358085450 /nfs/dbraw/zinc/08/54/50/358085450.db2.gz ZVVZPYTXTANYTO-UHFFFAOYSA-N 1 0 324.381 1.015 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000601560412 358601195 /nfs/dbraw/zinc/60/11/95/358601195.db2.gz XGXAVAXARWKRDU-OLZOCXBDSA-N 1 0 321.381 1.090 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000601568344 358604804 /nfs/dbraw/zinc/60/48/04/358604804.db2.gz RIHAXMKNDCDVQA-AOOOYVTPSA-N 1 0 306.322 1.572 20 5 DDBDRO CCC1([NH+](C)C)CCN(C(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000601792317 358697608 /nfs/dbraw/zinc/69/76/08/358697608.db2.gz VXEPXRFEZIEGEE-UHFFFAOYSA-N 1 0 306.366 1.936 20 5 DDBDRO C[C@](O)(C[C@@H](O)C[NH2+]CCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000601964615 358755848 /nfs/dbraw/zinc/75/58/48/358755848.db2.gz JGKZOVOTVCSMMP-ZBFHGGJFSA-N 1 0 308.378 1.639 20 5 DDBDRO COc1cccc(C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)c1[N+](=O)[O-] ZINC000601971919 358759438 /nfs/dbraw/zinc/75/94/38/358759438.db2.gz XJAYBHYZPMJAEN-IYBDPMFKSA-N 1 0 319.361 1.675 20 5 DDBDRO O=[N+]([O-])c1ccccc1/C=C/CN1CCC([NH2+]CCO)CC1 ZINC000602021545 358780305 /nfs/dbraw/zinc/78/03/05/358780305.db2.gz PLGNXTIMZXSIKY-HWKANZROSA-N 1 0 305.378 1.654 20 5 DDBDRO COc1cccc(C(=O)N[C@H]2C[C@@H]([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000602168161 358859759 /nfs/dbraw/zinc/85/97/59/358859759.db2.gz UZEYBAJJXMYNLH-TXEJJXNPSA-N 1 0 319.361 1.960 20 5 DDBDRO CCO[C@@H]1CN(C(=O)c2c(F)cccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000602518759 359023515 /nfs/dbraw/zinc/02/35/15/359023515.db2.gz RMCQZBUPZGQJEZ-BXKDBHETSA-N 1 0 311.313 1.170 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000602524337 359025415 /nfs/dbraw/zinc/02/54/15/359025415.db2.gz BZZIGUJHKGTNCX-CYBMUJFWSA-N 1 0 305.334 1.374 20 5 DDBDRO COc1ccc(CC(=O)N[C@@H]2CC[NH2+]C23CCC3)cc1[N+](=O)[O-] ZINC000602530060 359029148 /nfs/dbraw/zinc/02/91/48/359029148.db2.gz GNFPGNUCADPBKU-CQSZACIVSA-N 1 0 319.361 1.547 20 5 DDBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N[C@H]1CC[NH2+]C12CCC2 ZINC000602534874 359032958 /nfs/dbraw/zinc/03/29/58/359032958.db2.gz USVHNDPJDCILHF-AWEZNQCLSA-N 1 0 303.362 1.928 20 5 DDBDRO Cn1cc(C[N@@H+]2CCc3ccc(O)cc3CC2)c([N+](=O)[O-])n1 ZINC000602454435 358988659 /nfs/dbraw/zinc/98/86/59/358988659.db2.gz NLGYIOQOGZFRKB-UHFFFAOYSA-N 1 0 302.334 1.635 20 5 DDBDRO COC(=O)CCC1CC[NH+](Cc2cn(C)nc2[N+](=O)[O-])CC1 ZINC000602468695 358998212 /nfs/dbraw/zinc/99/82/12/358998212.db2.gz PVFHLCZCPSKXHP-UHFFFAOYSA-N 1 0 310.354 1.494 20 5 DDBDRO CCOC(=O)CC[C@@H]1CCC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602483277 359008800 /nfs/dbraw/zinc/00/88/00/359008800.db2.gz FZGWVILPTIHFJM-LBPRGKRZSA-N 1 0 324.381 1.884 20 5 DDBDRO C/C=C\C[C@@H](CO)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602620056 359079289 /nfs/dbraw/zinc/07/92/89/359079289.db2.gz SOWYUDOGMFTRKA-SFAKSCPVSA-N 1 0 320.393 1.875 20 5 DDBDRO Cn1cc(C[N@H+](CC(C)(C)O)C2CCOCC2)c([N+](=O)[O-])n1 ZINC000602779069 359184765 /nfs/dbraw/zinc/18/47/65/359184765.db2.gz LDNHMVTVNDKTRA-UHFFFAOYSA-N 1 0 312.370 1.080 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(O[C@@H]2CCOC2)CC1 ZINC000602779862 359185106 /nfs/dbraw/zinc/18/51/06/359185106.db2.gz SXTDUOUOMTYRDE-CQSZACIVSA-N 1 0 324.381 1.370 20 5 DDBDRO CC1([NH+]2CCCC2)CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000602951519 359316914 /nfs/dbraw/zinc/31/69/14/359316914.db2.gz QINAZONSPNOQAS-UHFFFAOYSA-N 1 0 307.398 1.742 20 5 DDBDRO COCC[NH2+]CCc1cn([C@H](C)c2cccc([N+](=O)[O-])c2)nn1 ZINC000603186791 359466567 /nfs/dbraw/zinc/46/65/67/359466567.db2.gz VKWYYLAKMZBMCY-GFCCVEGCSA-N 1 0 319.365 1.574 20 5 DDBDRO O=[N+]([O-])c1cccc(OCCn2cc(C[C@H]3CC[NH2+]C3)nn2)c1 ZINC000603202133 359476807 /nfs/dbraw/zinc/47/68/07/359476807.db2.gz VIJOBXYBIXECES-GFCCVEGCSA-N 1 0 317.349 1.417 20 5 DDBDRO CCOc1cc(Cn2cc([C@@H](C)[NH2+]C)nn2)ccc1[N+](=O)[O-] ZINC000603236052 359504358 /nfs/dbraw/zinc/50/43/58/359504358.db2.gz HYXMXHASYWLWQC-SNVBAGLBSA-N 1 0 305.338 1.914 20 5 DDBDRO C[C@@H]1COCC[N@@H+]1C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000603401186 359617692 /nfs/dbraw/zinc/61/76/92/359617692.db2.gz ITZREGFHQXAJGW-GFCCVEGCSA-N 1 0 306.366 1.679 20 5 DDBDRO Cn1c(C(=O)NC2CC[NH+](CC3CC3)CC2)ccc1[N+](=O)[O-] ZINC000604176288 359722804 /nfs/dbraw/zinc/72/28/04/359722804.db2.gz RFLVGLUEYNSFML-UHFFFAOYSA-N 1 0 306.366 1.538 20 5 DDBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCCCC[NH3+] ZINC000237630538 202310204 /nfs/dbraw/zinc/31/02/04/202310204.db2.gz ZCGJFWIXQWEION-VIFPVBQESA-N 1 0 315.757 1.871 20 5 DDBDRO CNC(=O)[C@]1(C)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000281133981 216100607 /nfs/dbraw/zinc/10/06/07/216100607.db2.gz NSJKTCUDDJCMLO-CQSZACIVSA-N 1 0 322.321 1.461 20 5 DDBDRO Cn1cc(C(=O)NCCC[NH3+])c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237758261 202347455 /nfs/dbraw/zinc/34/74/55/202347455.db2.gz KPQNMQSMDGRJKY-UHFFFAOYSA-N 1 0 303.322 1.074 20 5 DDBDRO CNc1ccc(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)cc1[N+](=O)[O-] ZINC000609383604 360303077 /nfs/dbraw/zinc/30/30/77/360303077.db2.gz WIKONWGIJSNAOG-CYBMUJFWSA-N 1 0 318.377 1.851 20 5 DDBDRO COCC[N@@H+]1CCC[C@@H](NC(=O)c2cccc(C)c2[N+](=O)[O-])C1 ZINC000609269403 360285793 /nfs/dbraw/zinc/28/57/93/360285793.db2.gz PRCIKOCHYQTKBI-CYBMUJFWSA-N 1 0 321.377 1.744 20 5 DDBDRO CC[NH+](CC)CCO[C@@H]1CCN(c2cccnc2[N+](=O)[O-])C1 ZINC000610469527 360443875 /nfs/dbraw/zinc/44/38/75/360443875.db2.gz FYTPWNJGASIVFO-CYBMUJFWSA-N 1 0 308.382 1.927 20 5 DDBDRO C[C@@H]1C[C@@H](NCc2cc3c(cc2[N+](=O)[O-])OCCO3)CC[N@@H+]1C ZINC000610271198 360404915 /nfs/dbraw/zinc/40/49/15/360404915.db2.gz JWMXABVBMAZRSW-YPMHNXCESA-N 1 0 321.377 1.938 20 5 DDBDRO Cc1ccnc(N2CCC[N@H+](C[C@@H]3CCCO3)CC2)c1[N+](=O)[O-] ZINC000610489302 360450382 /nfs/dbraw/zinc/45/03/82/360450382.db2.gz ZPNJQYQRZLQPJQ-AWEZNQCLSA-N 1 0 320.393 1.989 20 5 DDBDRO CCO[C@H]1CCC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000612030393 360894161 /nfs/dbraw/zinc/89/41/61/360894161.db2.gz UMSDEWJTKNQMKR-KGLIPLIRSA-N 1 0 324.377 1.835 20 5 DDBDRO [NH3+][C@@H]1CC[C@@H]2CN(c3nc(-c4ccc([N+](=O)[O-])cc4)no3)C[C@@H]12 ZINC000420228523 283597168 /nfs/dbraw/zinc/59/71/68/283597168.db2.gz LPEPPOARZCDFFH-RAIGVLPGSA-N 1 0 315.333 1.818 20 5 DDBDRO [NH3+]C[C@H]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 ZINC000565932538 304104074 /nfs/dbraw/zinc/10/40/74/304104074.db2.gz YVXZWNSFLHPFIQ-UWVGGRQHSA-N 1 0 321.333 1.223 20 5 DDBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000193651219 201095668 /nfs/dbraw/zinc/09/56/68/201095668.db2.gz ASGNZPLRUXXUFV-LLVKDONJSA-N 1 0 308.338 1.252 20 5 DDBDRO Cc1cc([C@@H](C)[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c(C)o1 ZINC000195269203 201369771 /nfs/dbraw/zinc/36/97/71/201369771.db2.gz OVUOJSOKKALNDF-ZWNOBZJWSA-N 1 0 308.338 1.713 20 5 DDBDRO O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000566010617 304110370 /nfs/dbraw/zinc/11/03/70/304110370.db2.gz NYQRZKKUSRPTJE-ONGXEEELSA-N 1 0 319.317 1.148 20 5 DDBDRO C[C@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)C(=O)N1CCCC1 ZINC000285134896 299345906 /nfs/dbraw/zinc/34/59/06/299345906.db2.gz LPPBVGVKNHNTOJ-QWRGUYRKSA-N 1 0 306.366 1.839 20 5 DDBDRO C[C@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1cn[nH]c1 ZINC000275152046 212153703 /nfs/dbraw/zinc/15/37/03/212153703.db2.gz GYDRHMQVTUXUPW-JTQLQIEISA-N 1 0 315.333 1.558 20 5 DDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC2(CC[NH2+]C2)CC1 ZINC000261888716 203143490 /nfs/dbraw/zinc/14/34/90/203143490.db2.gz UYDNAGUXQYWDLB-UHFFFAOYSA-N 1 0 303.362 1.739 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000261839269 203130880 /nfs/dbraw/zinc/13/08/80/203130880.db2.gz IOZMIAXBSRURAM-AWEZNQCLSA-N 1 0 318.377 1.023 20 5 DDBDRO C[NH2+]CCC1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000261965634 203162878 /nfs/dbraw/zinc/16/28/78/203162878.db2.gz AVOZFKCUKRKKHQ-UHFFFAOYSA-N 1 0 324.356 1.778 20 5 DDBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C[C@H]1COCC[NH2+]1 ZINC000262013124 203173681 /nfs/dbraw/zinc/17/36/81/203173681.db2.gz CDRXSKLGYXBABK-AWEZNQCLSA-N 1 0 321.377 1.710 20 5 DDBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359293530 299399829 /nfs/dbraw/zinc/39/98/29/299399829.db2.gz VKRSDRBIKFKQCH-UTUOFQBUSA-N 1 0 304.350 1.073 20 5 DDBDRO Nc1c(C(=O)N[C@H](C[NH3+])C2CCCCC2)cc(F)cc1[N+](=O)[O-] ZINC000262613011 203351506 /nfs/dbraw/zinc/35/15/06/203351506.db2.gz YMFXHQCGQXOOCD-GFCCVEGCSA-N 1 0 324.356 1.954 20 5 DDBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](CC3=CCCOC3)C2)nc1 ZINC000093534724 193266586 /nfs/dbraw/zinc/26/65/86/193266586.db2.gz YRXHSAWVDPWVEX-CYBMUJFWSA-N 1 0 304.350 1.823 20 5 DDBDRO C[C@H]1[NH2+]CCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000262751703 203398364 /nfs/dbraw/zinc/39/83/64/203398364.db2.gz GPAIWIQWHDEUCB-MNOVXSKESA-N 1 0 313.379 1.107 20 5 DDBDRO CC[N@@H+]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000350596984 284219036 /nfs/dbraw/zinc/21/90/36/284219036.db2.gz IQFYDPRLXVCDFB-SNVBAGLBSA-N 1 0 307.354 1.034 20 5 DDBDRO COCC[N@@H+]1CC[C@@H](NC(=O)c2cc(C)ccc2[N+](=O)[O-])C1 ZINC000266073061 205074299 /nfs/dbraw/zinc/07/42/99/205074299.db2.gz FLUDKRYKWZYYEQ-GFCCVEGCSA-N 1 0 307.350 1.354 20 5 DDBDRO COc1cc(N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000266344527 205281032 /nfs/dbraw/zinc/28/10/32/205281032.db2.gz IROOQQWDJBTCCX-NWDGAFQWSA-N 1 0 309.366 1.495 20 5 DDBDRO CN(C1CC([NH3+])C1)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000395187059 307295824 /nfs/dbraw/zinc/29/58/24/307295824.db2.gz VFVJSLKNEYILSR-UHFFFAOYSA-N 1 0 319.770 1.358 20 5 DDBDRO O=C1CC2(CN1)CC[NH+](CCOc1cccc([N+](=O)[O-])c1)CC2 ZINC000267644878 206192801 /nfs/dbraw/zinc/19/28/01/206192801.db2.gz JRAQPXRHUYIWRZ-UHFFFAOYSA-N 1 0 319.361 1.576 20 5 DDBDRO CCc1ccc(C(=O)NCCN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000174033506 248354542 /nfs/dbraw/zinc/35/45/42/248354542.db2.gz XPDINHNTRCCPLW-UHFFFAOYSA-N 1 0 320.393 1.134 20 5 DDBDRO C[C@H]1C[N@H+](C)CCN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337193873 249382669 /nfs/dbraw/zinc/38/26/69/249382669.db2.gz YMVZCMNTSQGRSA-LBPRGKRZSA-N 1 0 306.366 1.559 20 5 DDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC1CC[NH+](C)CC1 ZINC000043180121 183343799 /nfs/dbraw/zinc/34/37/99/183343799.db2.gz VBMIRNIGRYVGGP-UHFFFAOYSA-N 1 0 306.366 1.830 20 5 DDBDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000285072822 218279378 /nfs/dbraw/zinc/27/93/78/218279378.db2.gz HCYVJHLADODKSH-LLVKDONJSA-N 1 0 309.370 1.560 20 5 DDBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC[C@H]([NH+](C)C)C1 ZINC000109809731 194288144 /nfs/dbraw/zinc/28/81/44/194288144.db2.gz OGQIRIHORVTNAE-STQMWFEESA-N 1 0 320.393 1.948 20 5 DDBDRO Cc1c(Cl)cc(S(=O)(=O)N(C)CC[NH3+])cc1[N+](=O)[O-] ZINC000054417807 183938964 /nfs/dbraw/zinc/93/89/64/183938964.db2.gz MOFJPKZAJLRIPF-UHFFFAOYSA-N 1 0 307.759 1.136 20 5 DDBDRO C[C@@H]([NH2+][C@@H](C)C(=O)N1CCNC1=O)c1cccc([N+](=O)[O-])c1 ZINC000056197150 184006968 /nfs/dbraw/zinc/00/69/68/184006968.db2.gz CMFMHZIMMXZSSN-ZJUUUORDSA-N 1 0 306.322 1.186 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@@H](O)C[C@H]1C ZINC000340925923 251280790 /nfs/dbraw/zinc/28/07/90/251280790.db2.gz IVVXCMIYBPCONN-YPMHNXCESA-N 1 0 307.350 1.687 20 5 DDBDRO C[C@H]1CN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC[C@H]1[NH3+] ZINC000269186515 207307232 /nfs/dbraw/zinc/30/72/32/207307232.db2.gz FXRSGZMNWZRUEU-JOYOIKCWSA-N 1 0 311.313 1.308 20 5 DDBDRO C[C@H]1CN(C(=O)CSc2ccc([N+](=O)[O-])cc2)CC[C@@H]1[NH3+] ZINC000269194249 207314412 /nfs/dbraw/zinc/31/44/12/207314412.db2.gz IDECRZGLVILKAI-GWCFXTLKSA-N 1 0 309.391 1.883 20 5 DDBDRO CC(=O)N(C)C1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000119814281 195041764 /nfs/dbraw/zinc/04/17/64/195041764.db2.gz ODQHWHPHDLSLJH-UHFFFAOYSA-N 1 0 321.377 1.916 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NCCCCC[NH+]1CCCCC1 ZINC000120008663 195078997 /nfs/dbraw/zinc/07/89/97/195078997.db2.gz JRTKCPWECRGGAA-UHFFFAOYSA-N 1 0 323.397 1.714 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)cn1 ZINC000336910211 285122876 /nfs/dbraw/zinc/12/28/76/285122876.db2.gz IGAXCOPLJSYEHL-ZDUSSCGKSA-N 1 0 306.366 1.538 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000157712721 197210150 /nfs/dbraw/zinc/21/01/50/197210150.db2.gz AHZPSSCYXCLFNZ-GXFFZTMASA-N 1 0 306.366 1.518 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424421620 533141603 /nfs/dbraw/zinc/14/16/03/533141603.db2.gz ZEGWGIDKCOSUNT-GHMZBOCLSA-N 1 0 308.338 1.995 20 5 DDBDRO C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000155534285 197063538 /nfs/dbraw/zinc/06/35/38/197063538.db2.gz JZAGMQFKOGLQNJ-TXEJJXNPSA-N 1 0 307.350 1.525 20 5 DDBDRO C[NH+](C)CCOCCNc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000413232221 224158541 /nfs/dbraw/zinc/15/85/41/224158541.db2.gz UGTDOONJGQKHHF-UHFFFAOYSA-N 1 0 322.287 1.999 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1O ZINC000352701040 285238824 /nfs/dbraw/zinc/23/88/24/285238824.db2.gz VFZYMSKBJSTRFK-ZIAGYGMSSA-N 1 0 307.350 1.687 20 5 DDBDRO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000120720110 195222530 /nfs/dbraw/zinc/22/25/30/195222530.db2.gz JCPICLMJHBKONE-XBFCOCLRSA-N 1 0 310.398 1.957 20 5 DDBDRO Nc1cc(N)[nH+]c(SCCOc2ccc([N+](=O)[O-])cc2)n1 ZINC000120905122 195262107 /nfs/dbraw/zinc/26/21/07/195262107.db2.gz YMKZOKLVOFZHJM-UHFFFAOYSA-N 1 0 307.335 1.720 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H](CO)C1CCCC1 ZINC000289480140 221004532 /nfs/dbraw/zinc/00/45/32/221004532.db2.gz ISYCNJOIEXWZDK-ZIAGYGMSSA-N 1 0 324.377 1.475 20 5 DDBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000290033845 221392309 /nfs/dbraw/zinc/39/23/09/221392309.db2.gz GEBCHANMJOYRLL-QWRGUYRKSA-N 1 0 321.402 1.998 20 5 DDBDRO CCS(=O)(=O)C[C@@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000121050690 195288076 /nfs/dbraw/zinc/28/80/76/195288076.db2.gz WUYZNTMKSOUTIG-LLVKDONJSA-N 1 0 300.380 1.550 20 5 DDBDRO C[C@@H]([NH2+]C[C@@H](O)C1CCOCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294686979 533412958 /nfs/dbraw/zinc/41/29/58/533412958.db2.gz IJQJHJDDHTTYCH-MEBBXXQBSA-N 1 0 309.366 1.615 20 5 DDBDRO C[C@@H]1C[C@@H](NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000447250487 533654239 /nfs/dbraw/zinc/65/42/39/533654239.db2.gz WJBIGQDMGXKJJW-PWSUYJOCSA-N 1 0 313.379 1.155 20 5 DDBDRO O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000164013828 132129530 /nfs/dbraw/zinc/12/95/30/132129530.db2.gz KFWAMBKXJSILBM-PHIMTYICSA-N 1 0 319.317 1.290 20 5 DDBDRO CCC1(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])COC1 ZINC000568857769 304316108 /nfs/dbraw/zinc/31/61/08/304316108.db2.gz OPUNCRJJBJQBAT-GFCCVEGCSA-N 1 0 310.350 1.351 20 5 DDBDRO C[C@H]1CS(=O)(=O)C[C@H]1[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000570311479 304406474 /nfs/dbraw/zinc/40/64/74/304406474.db2.gz RJVICLHKDOJXOI-OWQIOCHFSA-N 1 0 310.375 1.631 20 5 DDBDRO CC1(C)C[C@@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000570564030 304415038 /nfs/dbraw/zinc/41/50/38/304415038.db2.gz FNNGATHRPHLHSK-GXTWGEPZSA-N 1 0 324.377 1.882 20 5 DDBDRO C[NH2+]CCN(C)S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000070303998 406813494 /nfs/dbraw/zinc/81/34/94/406813494.db2.gz MEHZXURAUJOLEO-UHFFFAOYSA-N 1 0 321.786 1.397 20 5 DDBDRO C[C@@H]([NH2+]CC(=O)NC(=O)NC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000180419952 306694920 /nfs/dbraw/zinc/69/49/20/306694920.db2.gz VLUDMTLZSZGURW-SECBINFHSA-N 1 0 306.322 1.234 20 5 DDBDRO C[NH+](C)C[C@@H]1CCCCN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000066948522 407264433 /nfs/dbraw/zinc/26/44/33/407264433.db2.gz YPAJGKLHNJOLAM-ZDUSSCGKSA-N 1 0 321.377 1.916 20 5 DDBDRO O=C(N[C@H]1CC[N@H+](CC2CCCC2)C1)c1[nH]ncc1[N+](=O)[O-] ZINC000122563768 407304721 /nfs/dbraw/zinc/30/47/21/407304721.db2.gz UWRYLVYRPKVYLO-NSHDSACASA-N 1 0 307.354 1.312 20 5 DDBDRO CC[N@@H+]1CC[C@@H](CNC(=O)c2cc(OC)ccc2[N+](=O)[O-])C1 ZINC000107888947 407381038 /nfs/dbraw/zinc/38/10/38/407381038.db2.gz LSJLYMPUAWBAQS-NSHDSACASA-N 1 0 307.350 1.675 20 5 DDBDRO O=C1[C@H]([NH2+]CCn2cccn2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000109133136 407394892 /nfs/dbraw/zinc/39/48/92/407394892.db2.gz VHYIJQGKKTVZDO-CQSZACIVSA-N 1 0 315.333 1.186 20 5 DDBDRO CSCC[C@H]([NH3+])C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000151686826 407478066 /nfs/dbraw/zinc/47/80/66/407478066.db2.gz VCCSVNJUWGZUMJ-LBPRGKRZSA-N 1 0 312.395 1.203 20 5 DDBDRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000261675706 407575540 /nfs/dbraw/zinc/57/55/40/407575540.db2.gz BOAODVXVRBURFK-RYUDHWBXSA-N 1 0 306.366 1.227 20 5 DDBDRO C[NH2+][C@H]1CCCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000261710368 407585919 /nfs/dbraw/zinc/58/59/19/407585919.db2.gz HDNXDYDCCVECPU-LBPRGKRZSA-N 1 0 317.349 1.829 20 5 DDBDRO C[NH2+][C@@H](C)Cc1noc(-c2cc(OC)c(OC)c([N+](=O)[O-])c2)n1 ZINC000261739214 407597209 /nfs/dbraw/zinc/59/72/09/407597209.db2.gz KXLBCKJUYGRXGX-QMMMGPOBSA-N 1 0 322.321 1.812 20 5 DDBDRO CC(C)[NH+]1CCN(C(=O)NCCc2ccccc2[N+](=O)[O-])CC1 ZINC000266763575 407624962 /nfs/dbraw/zinc/62/49/62/407624962.db2.gz IOYOPGFQLZXPQE-UHFFFAOYSA-N 1 0 320.393 1.873 20 5 DDBDRO NC(=O)CCC1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000271246342 407593886 /nfs/dbraw/zinc/59/38/86/407593886.db2.gz QOACMYKZJMJTRX-OAHLLOKOSA-N 1 0 321.377 1.606 20 5 DDBDRO Cc1cc(C[NH+](C)C)cc(NC(=O)c2nn(C)cc2[N+](=O)[O-])c1 ZINC000271449816 407688165 /nfs/dbraw/zinc/68/81/65/407688165.db2.gz VGOOMWQCKSAYMM-UHFFFAOYSA-N 1 0 317.349 1.951 20 5 DDBDRO CCCN(C(=O)CCn1nc(C)c([N+](=O)[O-])c1C)[C@@H]1CC[NH2+]C1 ZINC000178935338 407663043 /nfs/dbraw/zinc/66/30/43/407663043.db2.gz MXNUMBHLQUNCTM-CYBMUJFWSA-N 1 0 323.397 1.399 20 5 DDBDRO CCc1nn(C)c(NC[C@H](O)C[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000179569250 407806868 /nfs/dbraw/zinc/80/68/68/407806868.db2.gz BNRPSWFQWSLQAL-NSHDSACASA-N 1 0 311.386 1.149 20 5 DDBDRO C[C@H]1CN(C(=O)CCNc2ccccc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000153363287 407809169 /nfs/dbraw/zinc/80/91/69/407809169.db2.gz UEAPTIYWSOBOJT-RYUDHWBXSA-N 1 0 306.366 1.606 20 5 DDBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CCC[NH2+]CC1 ZINC000237999449 407864961 /nfs/dbraw/zinc/86/49/61/407864961.db2.gz KVPSFKFSAHMOAF-UHFFFAOYSA-N 1 0 306.366 1.609 20 5 DDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)NCCCC[NH+]1CCOCC1 ZINC000272352346 407879944 /nfs/dbraw/zinc/87/99/44/407879944.db2.gz BDGGTOFWNPQOIE-UHFFFAOYSA-N 1 0 322.365 1.019 20 5 DDBDRO CNC(=O)c1ccc(N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000267599234 407848229 /nfs/dbraw/zinc/84/82/29/407848229.db2.gz JBFABSXIDMFDPH-DGCLKSJQSA-N 1 0 320.393 1.731 20 5 DDBDRO CCOc1ccc(C(=O)N[C@H]2CC[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC000262891117 407963938 /nfs/dbraw/zinc/96/39/38/407963938.db2.gz WXHCBAXOWIMNLE-PWSUYJOCSA-N 1 0 307.350 1.721 20 5 DDBDRO C[C@@H](O)CN1CCN(C(=O)c2csc([N+](=O)[O-])c2)C[C@H]1C ZINC000174316980 407931232 /nfs/dbraw/zinc/93/12/32/407931232.db2.gz FAUWCGNHJAQGEY-NXEZZACHSA-N 1 0 313.379 1.183 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[N@H+](C[C@@H](C)O)C[C@@H]1C ZINC000189561364 408049762 /nfs/dbraw/zinc/04/97/62/408049762.db2.gz LKVRLXFUBPWPED-QWHCGFSZSA-N 1 0 323.393 1.490 20 5 DDBDRO Cc1nnc([C@@H]2CCC[N@H+](CCn3cc([N+](=O)[O-])cn3)C2)[nH]1 ZINC000268497002 408070789 /nfs/dbraw/zinc/07/07/89/408070789.db2.gz RIWYDAFKHZSMSX-LLVKDONJSA-N 1 0 305.342 1.097 20 5 DDBDRO CCOC1CC[NH+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000182220560 408100082 /nfs/dbraw/zinc/10/00/82/408100082.db2.gz CLQOHDSKLRIMPB-ZDUSSCGKSA-N 1 0 324.377 1.835 20 5 DDBDRO Cc1nn(CCC(=O)N[C@@](C)(C[NH3+])C2CC2)c(C)c1[N+](=O)[O-] ZINC000154984804 408111189 /nfs/dbraw/zinc/11/11/89/408111189.db2.gz FOJKNJCWCQVYQY-AWEZNQCLSA-N 1 0 309.370 1.042 20 5 DDBDRO COC[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000136650410 408115308 /nfs/dbraw/zinc/11/53/08/408115308.db2.gz SMHOVADPEDMQJX-IINYFYTJSA-N 1 0 307.350 1.936 20 5 DDBDRO CC(C)(C)[C@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C[C@H]1O ZINC000273244434 408123281 /nfs/dbraw/zinc/12/32/81/408123281.db2.gz GERNIQHYFXWIGT-UONOGXRCSA-N 1 0 323.393 1.485 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1CN(C)CC(C)(CO)CO ZINC000135865302 408056002 /nfs/dbraw/zinc/05/60/02/408056002.db2.gz RJBLRHSMJUSCIM-UHFFFAOYSA-N 1 0 312.366 1.416 20 5 DDBDRO O=[N+]([O-])c1ccccc1CN1CC[NH+](C2CCOCC2)CC1 ZINC000175492825 408146726 /nfs/dbraw/zinc/14/67/26/408146726.db2.gz PVKTZNZNFYFHGS-UHFFFAOYSA-N 1 0 305.378 1.891 20 5 DDBDRO O=C(Nc1ccc(-n2ccnc2)c(F)c1)c1n[nH]cc1[N+](=O)[O-] ZINC000137249999 408149404 /nfs/dbraw/zinc/14/94/04/408149404.db2.gz OQMRAEZSAHGSFR-UHFFFAOYSA-N 1 0 316.252 1.895 20 5 DDBDRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNc1ccccc1[N+](=O)[O-] ZINC000263646379 408188155 /nfs/dbraw/zinc/18/81/55/408188155.db2.gz ASRWJJVSPZDJET-OAHLLOKOSA-N 1 0 320.393 1.949 20 5 DDBDRO C[C@H](CNC(=O)c1csc([N+](=O)[O-])c1)N1CC[NH+](C)CC1 ZINC000263746030 408238983 /nfs/dbraw/zinc/23/89/83/408238983.db2.gz JDYRBKZYWHFAOS-SNVBAGLBSA-N 1 0 312.395 1.022 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000269459841 408317579 /nfs/dbraw/zinc/31/75/79/408317579.db2.gz HMGNVBZGGJFJQY-UWVGGRQHSA-N 1 0 321.381 1.796 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000269459870 408317767 /nfs/dbraw/zinc/31/77/67/408317767.db2.gz HMPWLOGPXKTCJK-JTQLQIEISA-N 1 0 309.370 1.608 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)c1[N+](=O)[O-] ZINC000269328127 408269808 /nfs/dbraw/zinc/26/98/08/408269808.db2.gz DMSYRUHWKIRJJX-WDEREUQCSA-N 1 0 321.381 1.750 20 5 DDBDRO O=[N+]([O-])c1ccn(CCN2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000176189185 408304164 /nfs/dbraw/zinc/30/41/64/408304164.db2.gz BQTXPYHCGLVUQR-UHFFFAOYSA-N 1 0 315.377 1.609 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NC[C@H](C)[NH+](C)C ZINC000274246862 408340403 /nfs/dbraw/zinc/34/04/03/408340403.db2.gz HGNCKZDFZFIUMI-JTQLQIEISA-N 1 0 322.365 1.216 20 5 DDBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](CCCn3ccnc3)C2)nc1 ZINC000183190397 408347226 /nfs/dbraw/zinc/34/72/26/408347226.db2.gz MLOLLJIUQJUKTM-CYBMUJFWSA-N 1 0 316.365 1.763 20 5 DDBDRO COc1ccc(NC(=O)CC[N@H+](C)C[C@H](C)O)c([N+](=O)[O-])c1 ZINC000159407359 408405564 /nfs/dbraw/zinc/40/55/64/408405564.db2.gz CXWFNGLQGBDAKS-JTQLQIEISA-N 1 0 311.338 1.245 20 5 DDBDRO CC[N@H+](CCO)CCNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000274471171 408417399 /nfs/dbraw/zinc/41/73/99/408417399.db2.gz ZEHHHVWTZRPRDK-UHFFFAOYSA-N 1 0 314.317 1.170 20 5 DDBDRO C[N@@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])c(N)n2)[C@@H]1c1ccccc1 ZINC000270338982 408492992 /nfs/dbraw/zinc/49/29/92/408492992.db2.gz ZBGUPNRJIBOLBA-AAEUAGOBSA-N 1 0 314.349 1.824 20 5 DDBDRO C[C@H]1C[C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)C[N@@H+]1C1CC1 ZINC000177052898 408509152 /nfs/dbraw/zinc/50/91/52/408509152.db2.gz MAQJNIZZMIJFJP-AAEUAGOBSA-N 1 0 303.362 1.879 20 5 DDBDRO C[C@H](C[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O)c1nccs1 ZINC000183927740 408509415 /nfs/dbraw/zinc/50/94/15/408509415.db2.gz LMFATYZBRXUZCH-LLVKDONJSA-N 1 0 322.390 1.949 20 5 DDBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3N)CC[C@H]21 ZINC000248042308 408526989 /nfs/dbraw/zinc/52/69/89/408526989.db2.gz TZQOQAHNUPGAFP-XHDPSFHLSA-N 1 0 318.377 1.733 20 5 DDBDRO C[C@@H](Cn1cccn1)[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000265106071 408553433 /nfs/dbraw/zinc/55/34/33/408553433.db2.gz YEHDEBRLBSHNKF-LBPRGKRZSA-N 1 0 317.349 1.432 20 5 DDBDRO C[C@H](O)[C@H]1CC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000248456964 408570537 /nfs/dbraw/zinc/57/05/37/408570537.db2.gz LZPBWQMQNGGYDP-RWMBFGLXSA-N 1 0 310.350 1.037 20 5 DDBDRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000161273663 408581978 /nfs/dbraw/zinc/58/19/78/408581978.db2.gz GFTGUXUIHIDTMX-YPMHNXCESA-N 1 0 309.370 1.026 20 5 DDBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@@H](C[NH3+])C2)c1 ZINC000274800858 408536544 /nfs/dbraw/zinc/53/65/44/408536544.db2.gz OXTUTAZDJXFURD-VIFPVBQESA-N 1 0 311.363 1.116 20 5 DDBDRO Cc1ccc(NCCCNC(=O)[C@H](C)[C@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000192065492 408537467 /nfs/dbraw/zinc/53/74/67/408537467.db2.gz GJKGBMKXUHXVDD-NEPJUHHUSA-N 1 0 308.382 1.805 20 5 DDBDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000177486660 408637020 /nfs/dbraw/zinc/63/70/20/408637020.db2.gz YMUFFGNZDSVGBC-WDEREUQCSA-N 1 0 324.356 1.919 20 5 DDBDRO COC[C@H](O)C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000265429942 408647827 /nfs/dbraw/zinc/64/78/27/408647827.db2.gz RPYXXZDQSXKHMD-CQSZACIVSA-N 1 0 320.349 1.092 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCC(C)(C)N1CCOCC1 ZINC000192842586 408659444 /nfs/dbraw/zinc/65/94/44/408659444.db2.gz NXCAUCIZBCKXHF-UHFFFAOYSA-N 1 0 321.377 1.744 20 5 DDBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1c([N+](=O)[O-])cnn1C ZINC000163658099 408785558 /nfs/dbraw/zinc/78/55/58/408785558.db2.gz HEQZTKKFBGNFQS-GHMZBOCLSA-N 1 0 309.370 1.179 20 5 DDBDRO COc1cc(CCNC(=O)CCC[NH3+])c([N+](=O)[O-])cc1OC ZINC000195139941 408813359 /nfs/dbraw/zinc/81/33/59/408813359.db2.gz RKNZDYHNPMUJPB-UHFFFAOYSA-N 1 0 311.338 1.010 20 5 DDBDRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)C[C@@H]12 ZINC000185130879 408765171 /nfs/dbraw/zinc/76/51/71/408765171.db2.gz NBERQTNIEKNCIX-GGZOMVNGSA-N 1 0 315.333 1.280 20 5 DDBDRO C[N@@H+]1CCC[C@H]1C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000276162938 408823799 /nfs/dbraw/zinc/82/37/99/408823799.db2.gz FXMPRLCWSKZARL-AWEZNQCLSA-N 1 0 305.334 1.279 20 5 DDBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000291227830 408862848 /nfs/dbraw/zinc/86/28/48/408862848.db2.gz WLLPQRIILGESLJ-MNOVXSKESA-N 1 0 319.365 1.152 20 5 DDBDRO C[NH+](C)CC1(NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CCC1 ZINC000281601457 408895661 /nfs/dbraw/zinc/89/56/61/408895661.db2.gz DEJGYOVNDFTFAF-UHFFFAOYSA-N 1 0 317.349 1.685 20 5 DDBDRO Cc1c(C(=O)N2CCO[C@@H]3CC[N@@H+](C)C[C@H]32)cccc1[N+](=O)[O-] ZINC000285953366 408895918 /nfs/dbraw/zinc/89/59/18/408895918.db2.gz WHZJGQCERZADPG-HUUCEWRRSA-N 1 0 319.361 1.448 20 5 DDBDRO CO[C@@H]1CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000281674570 408907926 /nfs/dbraw/zinc/90/79/26/408907926.db2.gz LWIYKCOUAJRHLT-MELADBBJSA-N 1 0 324.377 1.834 20 5 DDBDRO O=C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000276583950 408888212 /nfs/dbraw/zinc/88/82/12/408888212.db2.gz PAMMEWDSICUION-SCRDCRAPSA-N 1 0 320.345 1.530 20 5 DDBDRO C[C@H](CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])C[NH+](C)C ZINC000291754078 408917578 /nfs/dbraw/zinc/91/75/78/408917578.db2.gz GBDPCWPNDCNNHJ-MRVPVSSYSA-N 1 0 321.424 1.669 20 5 DDBDRO COCC[N@@H+]1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H]1C ZINC000277487380 408949855 /nfs/dbraw/zinc/94/98/55/408949855.db2.gz DETFXUZMTITVRP-NSHDSACASA-N 1 0 319.365 1.628 20 5 DDBDRO CCS[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000233842787 163352048 /nfs/dbraw/zinc/35/20/48/163352048.db2.gz MIZJMTCZHOMIQL-JHJVBQTASA-N 1 0 314.411 1.416 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000277567938 408966535 /nfs/dbraw/zinc/96/65/35/408966535.db2.gz KWUKJXAVIGEOEJ-WDEREUQCSA-N 1 0 319.361 1.958 20 5 DDBDRO Cc1nn(CCC(=O)N2CCC[C@@H](CC[NH3+])C2)c(C)c1[N+](=O)[O-] ZINC000282041100 408978684 /nfs/dbraw/zinc/97/86/84/408978684.db2.gz UTCRLBHIHQPHRN-ZDUSSCGKSA-N 1 0 323.397 1.386 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000277638654 408982702 /nfs/dbraw/zinc/98/27/02/408982702.db2.gz TUHZCGDKHVQUOJ-QMTHXVAHSA-N 1 0 319.361 1.816 20 5 DDBDRO CCC[C@@]1(CO)CCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000277653831 408985606 /nfs/dbraw/zinc/98/56/06/408985606.db2.gz DFIYREIQWVKNCT-INIZCTEOSA-N 1 0 321.377 1.821 20 5 DDBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)[C@@H]1CCC[C@H]1O ZINC000286447341 408986774 /nfs/dbraw/zinc/98/67/74/408986774.db2.gz JQPMKXHCGYSHGD-ZLKJLUDKSA-N 1 0 307.350 1.767 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)n1 ZINC000277721543 408998614 /nfs/dbraw/zinc/99/86/14/408998614.db2.gz JFNYJKUPLUQVRD-MWLCHTKSSA-N 1 0 322.287 1.427 20 5 DDBDRO CCN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@H](C)CO ZINC000292307443 409021292 /nfs/dbraw/zinc/02/12/92/409021292.db2.gz 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C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000360651164 418484209 /nfs/dbraw/zinc/48/42/09/418484209.db2.gz FWWZAXQQUKBHDW-MNOVXSKESA-N 1 0 313.379 1.356 20 5 DDBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N[C@@H]1CC12CC[NH2+]CC2 ZINC000366565249 418490985 /nfs/dbraw/zinc/49/09/85/418490985.db2.gz ICXYBJFONHDDKK-CQSZACIVSA-N 1 0 318.377 1.655 20 5 DDBDRO COc1cccc(C(=O)NC[C@H](C)[N@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000192509380 418523725 /nfs/dbraw/zinc/52/37/25/418523725.db2.gz PJHQRRMROYJXFQ-JTQLQIEISA-N 1 0 307.350 1.816 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC[C@@H]([C@@H]3CCOC3)C2)c1 ZINC000374387549 418525282 /nfs/dbraw/zinc/52/52/82/418525282.db2.gz BMJJYZXWCHCHJB-IIAWOOMASA-N 1 0 306.362 1.987 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000361077413 418578441 /nfs/dbraw/zinc/57/84/41/418578441.db2.gz BELQKTPWSYPYEU-GXTWGEPZSA-N 1 0 319.361 1.721 20 5 DDBDRO O=C(COc1ccccc1[N+](=O)[O-])N[C@@H]1C[C@@H]1C1CC[NH2+]CC1 ZINC000361099020 418583431 /nfs/dbraw/zinc/58/34/31/418583431.db2.gz VFPCIQOPCBWSTH-CHWSQXEVSA-N 1 0 319.361 1.478 20 5 DDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)N[C@@H](CO)C[NH+]1CCCCC1 ZINC000296486196 418588072 /nfs/dbraw/zinc/58/80/72/418588072.db2.gz XTLUGZHXGBKUJV-CYBMUJFWSA-N 1 0 322.365 1.563 20 5 DDBDRO O=C(c1ccc([N+](=O)[O-])o1)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000361199465 418604996 /nfs/dbraw/zinc/60/49/96/418604996.db2.gz DUQVIHZZTVSCAF-SDDRHHMPSA-N 1 0 305.334 1.744 20 5 DDBDRO CCC[N@H+](C)CC(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000358579425 418654899 /nfs/dbraw/zinc/65/48/99/418654899.db2.gz APUGGEWBPLTTIY-UHFFFAOYSA-N 1 0 317.349 2.265 20 5 DDBDRO COC[C@](C)(O)CNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000382576609 418731083 /nfs/dbraw/zinc/73/10/83/418731083.db2.gz WABYUMRCEZSHTM-OAHLLOKOSA-N 1 0 305.334 1.683 20 5 DDBDRO CC[NH+]1CCC(CNC(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000389544498 418749677 /nfs/dbraw/zinc/74/96/77/418749677.db2.gz HVYQEBQJWSVSED-UHFFFAOYSA-N 1 0 307.354 1.034 20 5 DDBDRO CN(CC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH3+])C2)c1ccccc1[N+](=O)[O-] ZINC000372445482 418871049 /nfs/dbraw/zinc/87/10/49/418871049.db2.gz JRLWSIOAOYITDP-CLLJXQQHSA-N 1 0 318.377 1.512 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1NC[C@H]1C[N@@H+]3CCC[C@@H]3CO1)CCN2 ZINC000365542872 418873708 /nfs/dbraw/zinc/87/37/08/418873708.db2.gz CBCZIJHOAXOHMA-NEPJUHHUSA-N 1 0 318.377 1.838 20 5 DDBDRO COc1ccc(NC(=O)CC[N@@H+]2C[C@H](O)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000411420294 418902242 /nfs/dbraw/zinc/90/22/42/418902242.db2.gz JIUDIBBQMPHMIF-GHMZBOCLSA-N 1 0 323.349 1.387 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@@H]2c3ccccc3CC[C@@H]2CO)n1 ZINC000365268469 418847436 /nfs/dbraw/zinc/84/74/36/418847436.db2.gz PMQOJHMPHHDWMM-CJNGLKHVSA-N 1 0 316.361 1.677 20 5 DDBDRO COc1cc(C[N@@H+]2CC[C@@H](CO)[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000425974228 419376357 /nfs/dbraw/zinc/37/63/57/419376357.db2.gz LGIUCRBQQWZHIJ-QWRGUYRKSA-N 1 0 310.350 1.815 20 5 DDBDRO COC(=O)[C@H]1CN(Cc2csc([N+](=O)[O-])c2)CC[N@H+](C)C1 ZINC000411915076 419484110 /nfs/dbraw/zinc/48/41/10/419484110.db2.gz YKZSOAJELPFRAR-LLVKDONJSA-N 1 0 313.379 1.193 20 5 DDBDRO CN(CC(=O)Nc1ccccc1[N+](=O)[O-])C[C@@H]1CCC[N@@H+]1C ZINC000420994805 419435368 /nfs/dbraw/zinc/43/53/68/419435368.db2.gz CQVSQESLCBRAPC-LBPRGKRZSA-N 1 0 306.366 1.559 20 5 DDBDRO C[C@H](NC(=O)N[C@H]1C[NH2+]CC[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000417983175 419450153 /nfs/dbraw/zinc/45/01/53/419450153.db2.gz NSMHOZNMTNYHQX-MDZLAQPJSA-N 1 0 306.366 1.953 20 5 DDBDRO COC(=O)[C@@H]1CSCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000412066700 419614513 /nfs/dbraw/zinc/61/45/13/419614513.db2.gz FTCPKZCENYKQAL-LBPRGKRZSA-N 1 0 310.375 1.933 20 5 DDBDRO C[NH+](C)C[C@H]1CN(c2ccc([N+](=O)[O-])c3ncccc23)CCO1 ZINC000413132353 419771247 /nfs/dbraw/zinc/77/12/47/419771247.db2.gz UAPVZYUPQLPEIK-LBPRGKRZSA-N 1 0 316.361 1.910 20 5 DDBDRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000418576307 419883422 /nfs/dbraw/zinc/88/34/22/419883422.db2.gz ODGYDASIEMURHL-GXTWGEPZSA-N 1 0 320.393 1.777 20 5 DDBDRO COc1cc(CN[C@H](CC[NH3+])C(F)F)c([N+](=O)[O-])cc1OC ZINC000414984132 419903415 /nfs/dbraw/zinc/90/34/15/419903415.db2.gz DANGXXXPOVXLQQ-SECBINFHSA-N 1 0 319.308 1.684 20 5 DDBDRO Cc1ccc(NCCCNC(=O)[C@]23C[C@H]2CC[NH2+]3)c([N+](=O)[O-])c1 ZINC000423229508 419991367 /nfs/dbraw/zinc/99/13/67/419991367.db2.gz HHIDSTPJBFAOLG-WBMJQRKESA-N 1 0 318.377 1.573 20 5 DDBDRO O=C(CC[N@@H+]1CCc2nn[nH]c2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000429282337 419995097 /nfs/dbraw/zinc/99/50/97/419995097.db2.gz DVGMPWRTTOMLOW-UHFFFAOYSA-N 1 0 316.321 1.100 20 5 DDBDRO [NH3+][C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000422683575 419963283 /nfs/dbraw/zinc/96/32/83/419963283.db2.gz CWHLYVWCUDRLKX-SNVBAGLBSA-N 1 0 300.318 1.706 20 5 DDBDRO COc1cccc(C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)c1[N+](=O)[O-] ZINC000422847500 419969900 /nfs/dbraw/zinc/96/99/00/419969900.db2.gz RLVAXRVAZLOMTR-MNOVXSKESA-N 1 0 307.350 1.803 20 5 DDBDRO COc1cc(C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)cc([N+](=O)[O-])c1OC ZINC000429419465 420016256 /nfs/dbraw/zinc/01/62/56/420016256.db2.gz QZHZDEBQCHZHRZ-NXEZZACHSA-N 1 0 323.349 1.434 20 5 DDBDRO COC(=O)c1cc(C(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000423621562 420103644 /nfs/dbraw/zinc/10/36/44/420103644.db2.gz KVBJLSAFTVOBIZ-JOYOIKCWSA-N 1 0 321.333 1.252 20 5 DDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430549475 420134222 /nfs/dbraw/zinc/13/42/22/420134222.db2.gz XUPOKQQAHXXOBS-XQQFMLRXSA-N 1 0 320.393 1.981 20 5 DDBDRO COc1ccc(NC(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000415450011 420071857 /nfs/dbraw/zinc/07/18/57/420071857.db2.gz WCDYBGDKAOUZPZ-ONGXEEELSA-N 1 0 308.338 1.804 20 5 DDBDRO CCOc1ccc([C@@H](C)NC[C@@H]2C[NH2+]CCO2)cc1[N+](=O)[O-] ZINC000423550559 420079017 /nfs/dbraw/zinc/07/90/17/420079017.db2.gz FQCURCUGPJNMRL-YPMHNXCESA-N 1 0 309.366 1.633 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000423574630 420085123 /nfs/dbraw/zinc/08/51/23/420085123.db2.gz XHWYSSGKFHMDPJ-QWRGUYRKSA-N 1 0 307.350 1.721 20 5 DDBDRO CNC(=O)c1ccc(NC[C@@H]2CCC[C@@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000420290147 420184702 /nfs/dbraw/zinc/18/47/02/420184702.db2.gz UKASCYDFQCQQEO-ZYHUDNBSSA-N 1 0 306.366 1.884 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)C1(C[NH3+])CCC1 ZINC000420319501 420205509 /nfs/dbraw/zinc/20/55/09/420205509.db2.gz AGWASROLRADUCY-UHFFFAOYSA-N 1 0 322.365 1.355 20 5 DDBDRO O=c1[nH]c(NCC[C@H]2CCC[NH2+]C2)nc2ccc([N+](=O)[O-])cc21 ZINC000420201287 420149176 /nfs/dbraw/zinc/14/91/76/420149176.db2.gz NGHCJMHNDFOJCO-SNVBAGLBSA-N 1 0 317.349 2.045 20 5 DDBDRO C[C@]1(CNc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CCC[NH2+]C1 ZINC000420224403 420155822 /nfs/dbraw/zinc/15/58/22/420155822.db2.gz AQSVIBMKFDKRQO-HNNXBMFYSA-N 1 0 317.349 2.446 20 5 DDBDRO COCC[NH2+]CC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000423833149 420215704 /nfs/dbraw/zinc/21/57/04/420215704.db2.gz ATKTXDCFXBYBJJ-UHFFFAOYSA-N 1 0 301.730 1.100 20 5 DDBDRO C[C@@H](CCCC[NH3+])Nc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000420263126 420173593 /nfs/dbraw/zinc/17/35/93/420173593.db2.gz SLXZISAZDXXCLB-JTQLQIEISA-N 1 0 305.338 2.574 20 5 DDBDRO [NH3+]C[C@H](Nc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CCCC1 ZINC000420279110 420178931 /nfs/dbraw/zinc/17/89/31/420178931.db2.gz OONRQWLRAITVIV-ZDUSSCGKSA-N 1 0 317.349 2.574 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[NH2+]C[C@@](C)(F)C1 ZINC000420347141 420227614 /nfs/dbraw/zinc/22/76/14/420227614.db2.gz XPDJPCSGOQFPCO-OAHLLOKOSA-N 1 0 324.356 1.475 20 5 DDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)cc1 ZINC000440431107 229797397 /nfs/dbraw/zinc/79/73/97/229797397.db2.gz HDXVUSLLOGSOLS-GFCCVEGCSA-N 1 0 311.363 1.110 20 5 DDBDRO C[C@H](N[C@@H]1[C@H](C)CC[NH2+][C@@H]1C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000420369700 420241367 /nfs/dbraw/zinc/24/13/67/420241367.db2.gz OKQWMVCZHKBAPI-MCYUEQNJSA-N 1 0 320.393 1.898 20 5 DDBDRO C[C@H]([NH3+])CN1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000420367654 420241538 /nfs/dbraw/zinc/24/15/38/420241538.db2.gz HHQBTQLWHPKGAC-NSHDSACASA-N 1 0 318.381 1.330 20 5 DDBDRO O=[N+]([O-])c1cnc2ccc(NC[C@@H]3CCCC[N@@H+]3C3CC3)nn21 ZINC000433807537 420254970 /nfs/dbraw/zinc/25/49/70/420254970.db2.gz IHFIIOWOFJLRIC-LBPRGKRZSA-N 1 0 316.365 2.066 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@H](C)[NH2+]C[C@H]1C ZINC000420392138 420258370 /nfs/dbraw/zinc/25/83/70/420258370.db2.gz IZKUUCACPDDWLX-QWHCGFSZSA-N 1 0 320.393 1.914 20 5 DDBDRO Cc1cc(C)c(S(=O)(=O)N2CC[C@H]([NH3+])[C@@H]2C)cc1[N+](=O)[O-] ZINC000420428495 420280542 /nfs/dbraw/zinc/28/05/42/420280542.db2.gz LLJREJYHHUBVGV-QWRGUYRKSA-N 1 0 313.379 1.322 20 5 DDBDRO C[NH2+]CCN(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000420335844 420217972 /nfs/dbraw/zinc/21/79/72/420217972.db2.gz JPGVVXOIELNAII-UHFFFAOYSA-N 1 0 300.746 1.338 20 5 DDBDRO C[NH+](C)CC1CCN(c2c(C(N)=O)cccc2[N+](=O)[O-])CC1 ZINC000420586438 420324128 /nfs/dbraw/zinc/32/41/28/420324128.db2.gz NXYCBYTZVAPDDA-UHFFFAOYSA-N 1 0 306.366 1.472 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N(C)[C@H](C)C[NH3+])c1 ZINC000420457969 420299839 /nfs/dbraw/zinc/29/98/39/420299839.db2.gz PJYCWPKZVIZIJI-SECBINFHSA-N 1 0 301.368 1.179 20 5 DDBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000420786167 420390341 /nfs/dbraw/zinc/39/03/41/420390341.db2.gz VDEQVSSSRLUHBI-CQSZACIVSA-N 1 0 306.366 1.830 20 5 DDBDRO COC1CC[NH+](CCNc2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000301954592 230001887 /nfs/dbraw/zinc/00/18/87/230001887.db2.gz KGQOCIAQTOJBEY-UHFFFAOYSA-N 1 0 320.353 1.160 20 5 DDBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@@H](n3ccnn3)C2)c1 ZINC000425498857 420399655 /nfs/dbraw/zinc/39/96/55/420399655.db2.gz HMCLGOCVRQBANO-CQSZACIVSA-N 1 0 317.349 1.902 20 5 DDBDRO Cc1cc(N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)ncc1[N+](=O)[O-] ZINC000302521284 230280440 /nfs/dbraw/zinc/28/04/40/230280440.db2.gz ITVOOOVPJJDDQT-LBPRGKRZSA-N 1 0 308.382 1.580 20 5 DDBDRO COCc1cc([N+](=O)[O-])ccc1N1CC[N@H+](CCO)C(C)(C)C1 ZINC000302556985 230295578 /nfs/dbraw/zinc/29/55/78/230295578.db2.gz RZYZETZHWNWVOY-UHFFFAOYSA-N 1 0 323.393 1.634 20 5 DDBDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000417762101 420470605 /nfs/dbraw/zinc/47/06/05/420470605.db2.gz IGNUVCVVQYMDKX-VXGBXAGGSA-N 1 0 306.366 1.516 20 5 DDBDRO C[C@@H](C[NH3+])N(C)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000417710264 420458619 /nfs/dbraw/zinc/45/86/19/420458619.db2.gz CXNIUNKLQOWXRR-LBPRGKRZSA-N 1 0 308.382 1.906 20 5 DDBDRO C[NH+](C)CCOCCNC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000492344005 420530673 /nfs/dbraw/zinc/53/06/73/420530673.db2.gz AUJNAMJVFWQJCQ-BQYQJAHWSA-N 1 0 307.350 1.302 20 5 DDBDRO COc1cc(N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000450796075 420534164 /nfs/dbraw/zinc/53/41/64/420534164.db2.gz QJPLVCIXKIHXNB-TXEJJXNPSA-N 1 0 309.366 1.495 20 5 DDBDRO C[C@@H]1CCN(C(=O)NCCc2ccccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000417773441 420475330 /nfs/dbraw/zinc/47/53/30/420475330.db2.gz WXLHKWVUFDTWPR-TZMCWYRMSA-N 1 0 320.393 1.764 20 5 DDBDRO C[C@H]1CCC[N@H+](CCNc2cccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000439102609 420479708 /nfs/dbraw/zinc/47/97/08/420479708.db2.gz TXGOKJUPKPOUGA-NSHDSACASA-N 1 0 306.366 1.838 20 5 DDBDRO C[C@@H]1C[C@H](C[NH3+])CN1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000442767209 420712304 /nfs/dbraw/zinc/71/23/04/420712304.db2.gz QFOQTKFETMIELU-VXGBXAGGSA-N 1 0 318.377 1.153 20 5 DDBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3C[C@@H](O)[C@H](CO)C3)o2)cc1 ZINC000459718022 420856312 /nfs/dbraw/zinc/85/63/12/420856312.db2.gz XHCSYBPJSKIOHS-SWLSCSKDSA-N 1 0 318.329 1.640 20 5 DDBDRO CNc1nc(C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000454790632 420925422 /nfs/dbraw/zinc/92/54/22/420925422.db2.gz CSQSASTUJPHKQR-QWRGUYRKSA-N 1 0 319.365 1.388 20 5 DDBDRO COc1cc(C(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000449641866 421042972 /nfs/dbraw/zinc/04/29/72/421042972.db2.gz WBZUINBOBHJJBG-PWSUYJOCSA-N 1 0 307.350 1.851 20 5 DDBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CCN1CCC(O)CC1 ZINC000449648046 421044694 /nfs/dbraw/zinc/04/46/94/421044694.db2.gz RRFUUHQQJOMHEZ-HYXAFXHYSA-N 1 0 305.378 1.654 20 5 DDBDRO COc1cc(C(=O)N(C)C2(C[NH3+])CCC2)cc([N+](=O)[O-])c1OC ZINC000449679841 421056394 /nfs/dbraw/zinc/05/63/94/421056394.db2.gz SIWPDKDRIOBWCP-UHFFFAOYSA-N 1 0 323.349 1.565 20 5 DDBDRO CNc1nc(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000455769008 421060112 /nfs/dbraw/zinc/06/01/12/421060112.db2.gz YJEWQDICMWXPSA-JTQLQIEISA-N 1 0 307.354 1.198 20 5 DDBDRO CNC(=O)C[C@H](C)[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000449598699 421035825 /nfs/dbraw/zinc/03/58/25/421035825.db2.gz CVBJOMVFJSZQHK-QWRGUYRKSA-N 1 0 322.365 1.426 20 5 DDBDRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000488357850 421085191 /nfs/dbraw/zinc/08/51/91/421085191.db2.gz QFCSTNSJFLIXKU-DOMZBBRYSA-N 1 0 305.378 1.793 20 5 DDBDRO Nc1c(C(=O)N[C@H](CC[NH3+])C(F)(F)F)cc(F)cc1[N+](=O)[O-] ZINC000449718117 421068201 /nfs/dbraw/zinc/06/82/01/421068201.db2.gz IZZGKTKRRYKHJN-MRVPVSSYSA-N 1 0 324.234 1.326 20 5 DDBDRO C[C@@]1(CO)CCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000546810964 421311398 /nfs/dbraw/zinc/31/13/98/421311398.db2.gz DRBANJHDLSYPCQ-DOMZBBRYSA-N 1 0 310.350 1.181 20 5 DDBDRO C[N@@H+]1CCC[C@H](CNc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C1 ZINC000561192802 421311558 /nfs/dbraw/zinc/31/15/58/421311558.db2.gz WBOGBBWMBUAKAD-SNVBAGLBSA-N 1 0 317.349 1.997 20 5 DDBDRO CCCC[N@H+](C)CCNC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000524286357 421257472 /nfs/dbraw/zinc/25/74/72/421257472.db2.gz JOTAABDTDJWQRM-UHFFFAOYSA-N 1 0 323.393 1.994 20 5 DDBDRO O=C(NCC1CC[NH2+]CC1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000561204050 421313502 /nfs/dbraw/zinc/31/35/02/421313502.db2.gz DVKAMBCHJLJYJB-UHFFFAOYSA-N 1 0 318.377 1.662 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@@H]2OCC[C@@H]2C1 ZINC000563070391 421450853 /nfs/dbraw/zinc/45/08/53/421450853.db2.gz VAKHPNTUCBXIDL-DOMZBBRYSA-N 1 0 319.361 1.953 20 5 DDBDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)c2ccnc(N)c2[N+](=O)[O-])C1 ZINC000548747915 421469421 /nfs/dbraw/zinc/46/94/21/421469421.db2.gz SSKNYCCSOXBNGV-ZJUUUORDSA-N 1 0 307.354 1.175 20 5 DDBDRO Cc1ccnc(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000516762652 421565930 /nfs/dbraw/zinc/56/59/30/421565930.db2.gz HIXSXWXKFFKJEL-CQSZACIVSA-N 1 0 317.345 1.828 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000564189652 421573387 /nfs/dbraw/zinc/57/33/87/421573387.db2.gz VLHZZQDLGMAHGK-NSHDSACASA-N 1 0 322.365 1.484 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CC2=CCOCC2)c1 ZINC000570273634 421632603 /nfs/dbraw/zinc/63/26/03/421632603.db2.gz PPHOEKOTZVRPGE-CQSZACIVSA-N 1 0 308.334 1.271 20 5 DDBDRO C[C@@H]1C[C@@H](C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCO1 ZINC000554446018 421641109 /nfs/dbraw/zinc/64/11/09/421641109.db2.gz WZZJRKOKFUQTTN-KGLIPLIRSA-N 1 0 320.393 1.927 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C[C@H]2CCC[C@@H]2O)c1 ZINC000571046200 421683327 /nfs/dbraw/zinc/68/33/27/421683327.db2.gz AFWNLJLJWKUUMN-ZLDLUXBVSA-N 1 0 310.350 1.085 20 5 DDBDRO CN(C(=O)CN1CC[N@H+](C)C(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000520435782 421752298 /nfs/dbraw/zinc/75/22/98/421752298.db2.gz JMDUUDACOAMNBN-UHFFFAOYSA-N 1 0 320.393 1.584 20 5 DDBDRO CCCC[N@H+](C)CC1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC000558744593 421824864 /nfs/dbraw/zinc/82/48/64/421824864.db2.gz WBTSTBJUKRZUAN-UHFFFAOYSA-N 1 0 323.397 1.902 20 5 DDBDRO CNc1nccc(C(=O)NCC[NH+](C(C)C)C(C)C)c1[N+](=O)[O-] ZINC000557434176 421771330 /nfs/dbraw/zinc/77/13/30/421771330.db2.gz IVOMTYKDTUMSAZ-UHFFFAOYSA-N 1 0 323.397 1.880 20 5 DDBDRO CNC(=O)C[C@@H](C)[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000558167092 421799541 /nfs/dbraw/zinc/79/95/41/421799541.db2.gz PRCBSAUQWAHQKU-SNVBAGLBSA-N 1 0 304.350 1.733 20 5 DDBDRO CC[NH+](CC)CCOCCNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000541751907 421804299 /nfs/dbraw/zinc/80/42/99/421804299.db2.gz GNBHPTCSSBQVPF-UHFFFAOYSA-N 1 0 324.381 1.265 20 5 DDBDRO CC(C)O[C@H]1C[C@@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000582057885 422098433 /nfs/dbraw/zinc/09/84/33/422098433.db2.gz IQYVGHDDFMREGD-DUVNUKRYSA-N 1 0 324.377 1.880 20 5 DDBDRO CC[N@H+](CCCNc1ncc([N+](=O)[O-])c(N)n1)C1CCCCC1 ZINC000593488948 422339628 /nfs/dbraw/zinc/33/96/28/422339628.db2.gz OYOOKZZATHLYOP-UHFFFAOYSA-N 1 0 322.413 1.846 20 5 DDBDRO C[C@@H]1C[C@H](C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000576030016 422359598 /nfs/dbraw/zinc/35/95/98/422359598.db2.gz KEPADCQMSPWHOU-MCIONIFRSA-N 1 0 324.377 1.739 20 5 DDBDRO C[C@H]1C[NH+](C(C)(C)CNc2ccc(N)c([N+](=O)[O-])n2)C[C@H](C)O1 ZINC000590571735 422320461 /nfs/dbraw/zinc/32/04/61/422320461.db2.gz GULPJLOBHUHDBG-QWRGUYRKSA-N 1 0 323.397 1.872 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]Cc2nc(C3CC3)cs2)c1 ZINC000577722766 422414886 /nfs/dbraw/zinc/41/48/86/422414886.db2.gz YEEIXMXIRAPFGW-NSHDSACASA-N 1 0 323.378 1.276 20 5 DDBDRO CN1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)[C@H](C[NH3+])C1 ZINC000579235363 422731267 /nfs/dbraw/zinc/73/12/67/422731267.db2.gz HRCKGEYTWMUTGR-GFCCVEGCSA-N 1 0 318.333 1.056 20 5 DDBDRO C[C@@H](C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)C[C@H](C)O ZINC000578987561 422683656 /nfs/dbraw/zinc/68/36/56/422683656.db2.gz GLCHESYBVGMSNF-DYEKYZERSA-N 1 0 312.366 1.331 20 5 DDBDRO O=C(/C=C\c1ccccc1[N+](=O)[O-])N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000319744619 271023959 /nfs/dbraw/zinc/02/39/59/271023959.db2.gz UBNOSHUXSVWCQH-HLMASZERSA-N 1 0 301.346 1.676 20 5 DDBDRO [NH3+]C1(CNCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CCC1 ZINC000342146669 271318841 /nfs/dbraw/zinc/31/88/41/271318841.db2.gz UEGUBDXUJFXQRP-UHFFFAOYSA-N 1 0 303.322 1.616 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000345593536 272287311 /nfs/dbraw/zinc/28/73/11/272287311.db2.gz CPMUHOXTGILFHT-LLVKDONJSA-N 1 0 319.361 1.818 20 5 DDBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)CNc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000345916001 272364192 /nfs/dbraw/zinc/36/41/92/272364192.db2.gz YZAZCAXIQRZOND-CHWSQXEVSA-N 1 0 320.393 1.948 20 5 DDBDRO C[C@H](C[NH+](C)C)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000346128418 272420543 /nfs/dbraw/zinc/42/05/43/272420543.db2.gz DPFKSRGMJAPMJZ-SECBINFHSA-N 1 0 309.322 1.046 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H]2CCn3cncc3C2)cc1 ZINC001120599255 782047474 /nfs/dbraw/zinc/04/74/74/782047474.db2.gz JAOBLRPKSVUMAA-IUODEOHRSA-N 1 0 302.334 1.429 20 5 DDBDRO O=[N+]([O-])c1cc2ccccc2nc1N1CCC[N@@H+](CCO)CC1 ZINC000276566902 275034507 /nfs/dbraw/zinc/03/45/07/275034507.db2.gz GYRWMACTSFBIOZ-UHFFFAOYSA-N 1 0 316.361 1.647 20 5 DDBDRO C[NH+](C)CCOC1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000330733942 276762627 /nfs/dbraw/zinc/76/26/27/276762627.db2.gz KNIOSOQGQULKIY-UHFFFAOYSA-N 1 0 310.354 1.106 20 5 DDBDRO C[NH+]1CCC([C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])o3)C2)CC1 ZINC000270216748 277034474 /nfs/dbraw/zinc/03/44/74/277034474.db2.gz MCRNPMLSBJQQIL-LBPRGKRZSA-N 1 0 307.350 1.992 20 5 DDBDRO C[NH2+][C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)C1 ZINC000053203024 277300285 /nfs/dbraw/zinc/30/02/85/277300285.db2.gz KKPCIHIRIKXDLO-NSHDSACASA-N 1 0 313.379 1.276 20 5 DDBDRO COC(=O)[C@@H]1CCCCC[C@@H]1[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000451233191 277344764 /nfs/dbraw/zinc/34/47/64/277344764.db2.gz WRRLMLSYVIZGCY-MNOVXSKESA-N 1 0 310.354 1.540 20 5 DDBDRO C[C@H](CC[NH3+])NC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000418518528 279259586 /nfs/dbraw/zinc/25/95/86/279259586.db2.gz FMDKQXRWFPTWTQ-SNVBAGLBSA-N 1 0 308.338 1.236 20 5 DDBDRO CC(C)N(CC[NH+](C)C)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000123381482 279432950 /nfs/dbraw/zinc/43/29/50/279432950.db2.gz ICMYBOOUNPPRLV-UHFFFAOYSA-N 1 0 315.395 1.556 20 5 DDBDRO Cc1cc(C)c(S(=O)(=O)NC[C@@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000440832978 280396326 /nfs/dbraw/zinc/39/63/26/280396326.db2.gz JULRRIVPHPCXPC-QMMMGPOBSA-N 1 0 301.368 1.085 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC([NH+](C)C)CC1 ZINC000132578724 281457922 /nfs/dbraw/zinc/45/79/22/281457922.db2.gz QJHHSLHQXRTDGQ-UHFFFAOYSA-N 1 0 309.370 1.042 20 5 DDBDRO C[NH+](C)CCN(C(=O)c1cc([N+](=O)[O-])cnc1N)C1CCCC1 ZINC000185388652 289125028 /nfs/dbraw/zinc/12/50/28/289125028.db2.gz BLFJYRGEERIHMA-UHFFFAOYSA-N 1 0 321.381 1.518 20 5 DDBDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000177507510 289298520 /nfs/dbraw/zinc/29/85/20/289298520.db2.gz ZTPRUXFADNMRPW-CHWSQXEVSA-N 1 0 321.377 1.963 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000358063746 299062439 /nfs/dbraw/zinc/06/24/39/299062439.db2.gz ZXMZVNHOGRTVFK-MRXNPFEDSA-N 1 0 321.377 1.316 20 5 DDBDRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)Nc1ccc([N+](=O)[O-])cc1 ZINC000363094664 300209478 /nfs/dbraw/zinc/20/94/78/300209478.db2.gz GGYUPMQZFODIRT-KBPBESRZSA-N 1 0 320.349 1.580 20 5 DDBDRO C[NH+](C)CCN1CCCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000363663224 300294838 /nfs/dbraw/zinc/29/48/38/300294838.db2.gz ZJYPJCHSCPWLPM-UHFFFAOYSA-N 1 0 320.393 1.304 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000364020014 300335567 /nfs/dbraw/zinc/33/55/67/300335567.db2.gz XKXIWJXPHMZODY-NEPJUHHUSA-N 1 0 319.361 1.960 20 5 DDBDRO NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000368964174 301111229 /nfs/dbraw/zinc/11/12/29/301111229.db2.gz NDCQJJJAVVZLIA-HUBLWGQQSA-N 1 0 319.361 1.559 20 5 DDBDRO C[NH+]1CCC2(CCCN2C(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000369923747 301240817 /nfs/dbraw/zinc/24/08/17/301240817.db2.gz PCGVKDMFNQBLER-UHFFFAOYSA-N 1 0 319.365 1.504 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@]3(CCCCO3)C2)c1 ZINC000370095056 301274928 /nfs/dbraw/zinc/27/49/28/301274928.db2.gz RDARFGGVVWUZON-LSDHHAIUSA-N 1 0 324.381 1.187 20 5 DDBDRO O=[N+]([O-])c1cccnc1N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000575762352 304732273 /nfs/dbraw/zinc/73/22/73/304732273.db2.gz QVGBNVRDCXGIEC-ZDUSSCGKSA-N 1 0 306.366 1.681 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@H](C[NH3+])C2CC2)c1C ZINC000087384193 301430136 /nfs/dbraw/zinc/43/01/36/301430136.db2.gz QJGZSIVOHASDRT-GFCCVEGCSA-N 1 0 313.379 1.227 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC2CC[NH2+]CC2)c1C ZINC000262745708 301859819 /nfs/dbraw/zinc/85/98/19/301859819.db2.gz LGGPXCWNEIMJCK-UHFFFAOYSA-N 1 0 313.379 1.242 20 5 DDBDRO CCc1nn(C)c(N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1[N+](=O)[O-] ZINC000376171962 302044873 /nfs/dbraw/zinc/04/48/73/302044873.db2.gz ARJGVZUQQKRPEE-FOSCPWQOSA-N 1 0 307.398 1.952 20 5 DDBDRO CC(C)[N@@H+]1CCO[C@@H](C(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000377661493 302206157 /nfs/dbraw/zinc/20/61/57/302206157.db2.gz GNNGYDXFCZPOAH-CQSZACIVSA-N 1 0 307.350 1.320 20 5 DDBDRO CCOc1ccc(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)cc1[N+](=O)[O-] ZINC000377748949 302225206 /nfs/dbraw/zinc/22/52/06/302225206.db2.gz UNXVJHMFIKIWDW-STQMWFEESA-N 1 0 319.361 1.675 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@H](Oc3ccccc3)C2)n1 ZINC000377967918 302258748 /nfs/dbraw/zinc/25/87/48/302258748.db2.gz SFUOPOIIBMYPHT-AWEZNQCLSA-N 1 0 302.334 1.945 20 5 DDBDRO [NH3+]Cc1ccc2c(c1)CCCN2C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000378189089 302288828 /nfs/dbraw/zinc/28/88/28/302288828.db2.gz WNCRXWYOJCQXAH-UHFFFAOYSA-N 1 0 315.333 1.229 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCC([C@H]2CCOC2)CC1 ZINC000378646469 302348603 /nfs/dbraw/zinc/34/86/03/302348603.db2.gz HAQGBYHUAWWYCE-AWEZNQCLSA-N 1 0 321.377 1.505 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C)C1(C[NH3+])CCC1 ZINC000420333781 302382361 /nfs/dbraw/zinc/38/23/61/302382361.db2.gz SXJASCKNOQKXOC-UHFFFAOYSA-N 1 0 306.366 1.655 20 5 DDBDRO COc1c(C(=O)N2CC[C@@H](C[NH+](C)C)C2)cccc1[N+](=O)[O-] ZINC000356114834 306835944 /nfs/dbraw/zinc/83/59/44/306835944.db2.gz ISLHFGWIZNNYJN-NSHDSACASA-N 1 0 307.350 1.627 20 5 DDBDRO [NH3+]CC[C@H]1CCCCN1C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000517922568 302820320 /nfs/dbraw/zinc/82/03/20/302820320.db2.gz ZGOHUHRNNFZXGA-SNVBAGLBSA-N 1 0 321.333 1.667 20 5 DDBDRO Cn1nc([N+](=O)[O-])cc1C(=O)N1CCCC12CC[NH+](C)CC2 ZINC000356729447 306861767 /nfs/dbraw/zinc/86/17/67/306861767.db2.gz LZKXWSWCEVLQPC-UHFFFAOYSA-N 1 0 307.354 1.029 20 5 DDBDRO C[C@@H]([NH2+]C[C@H]1CS(=O)(=O)CCO1)c1ccc([N+](=O)[O-])cc1 ZINC000358306747 306939200 /nfs/dbraw/zinc/93/92/00/306939200.db2.gz PXCPMHXRPKVUMB-MFKMUULPSA-N 1 0 314.363 1.059 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@H](CO)C1CCCC1 ZINC000289480138 304808964 /nfs/dbraw/zinc/80/89/64/304808964.db2.gz ISYCNJOIEXWZDK-UONOGXRCSA-N 1 0 324.377 1.475 20 5 DDBDRO CO[C@H]1CCN(CCOc2ccccc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000359045518 306949927 /nfs/dbraw/zinc/94/99/27/306949927.db2.gz QDZRECIICUCAPU-OLZOCXBDSA-N 1 0 309.366 1.412 20 5 DDBDRO COc1ccc(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000364072548 307041157 /nfs/dbraw/zinc/04/11/57/307041157.db2.gz NOHUJLTZLFQGOZ-ZDUSSCGKSA-N 1 0 319.361 1.914 20 5 DDBDRO CN(C(=O)COc1ccccc1[N+](=O)[O-])[C@H]1CCC[NH2+]CC1 ZINC000364650116 307049663 /nfs/dbraw/zinc/04/96/63/307049663.db2.gz VVPGYRKOHHNXTL-LBPRGKRZSA-N 1 0 307.350 1.574 20 5 DDBDRO CC[N@H+](CC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)C1CC1 ZINC000373312509 307184426 /nfs/dbraw/zinc/18/44/26/307184426.db2.gz BCLKOHYOMWYISK-UHFFFAOYSA-N 1 0 321.381 1.439 20 5 DDBDRO COc1ccc(C(=O)N2[C@@H]3CC[C@H]2C[C@H]([NH3+])C3)cc1[N+](=O)[O-] ZINC000375252426 307219768 /nfs/dbraw/zinc/21/97/68/307219768.db2.gz HXWADMWWBWLYKU-CNDDSTCGSA-N 1 0 305.334 1.698 20 5 DDBDRO CCN1C[C@@H](Nc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)CC1=O ZINC000391519435 307294383 /nfs/dbraw/zinc/29/43/83/307294383.db2.gz RNPLBQBVCRRJJV-NSHDSACASA-N 1 0 314.345 1.906 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCc2ccccc2Cl)c1 ZINC000515832327 307409126 /nfs/dbraw/zinc/40/91/26/307409126.db2.gz SBVJFQCCZIZLRL-CYBMUJFWSA-N 1 0 324.768 1.638 20 5 DDBDRO COCC[NH2+]C1CCN(C(=O)c2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000563336731 307964402 /nfs/dbraw/zinc/96/44/02/307964402.db2.gz RNMGVKOFFWCYCH-UHFFFAOYSA-N 1 0 321.377 1.744 20 5 DDBDRO CC[C@H](C)[C@H](O)C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000564977019 308015288 /nfs/dbraw/zinc/01/52/88/308015288.db2.gz VUOHYFKMJRQNJY-SMDDNHRTSA-N 1 0 309.366 1.920 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cn(CCC[NH3+])nn1 ZINC000567666695 308088728 /nfs/dbraw/zinc/08/87/28/308088728.db2.gz KDRGLESOBQFQFV-UHFFFAOYSA-N 1 0 304.310 1.096 20 5 DDBDRO COc1ccc(CC(=O)N2C[C@@H](C[NH3+])C[C@H]2C)cc1[N+](=O)[O-] ZINC000567669778 308089234 /nfs/dbraw/zinc/08/92/34/308089234.db2.gz LVOKJKNQZVMYRK-ZYHUDNBSSA-N 1 0 307.350 1.342 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC000567925949 308100303 /nfs/dbraw/zinc/10/03/03/308100303.db2.gz YKWCWOVYDGZCKM-CQSZACIVSA-N 1 0 320.393 1.784 20 5 DDBDRO Cc1nnc(CN2CCc3ncc([N+](=O)[O-])cc3C2)n1C1CC1 ZINC000573590463 308245775 /nfs/dbraw/zinc/24/57/75/308245775.db2.gz RLMDLONPGQVFBX-UHFFFAOYSA-N 1 0 314.349 1.783 20 5 DDBDRO COc1ccc(CC(=O)N[C@H]2CC[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000573723089 308251150 /nfs/dbraw/zinc/25/11/50/308251150.db2.gz TWTFSQSVMIJGGU-RYUDHWBXSA-N 1 0 307.350 1.390 20 5 DDBDRO O=C([C@@H]1CCCC[NH2+]1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000576875645 308345916 /nfs/dbraw/zinc/34/59/16/308345916.db2.gz GRNBNPDVNWBVER-LBPRGKRZSA-N 1 0 307.354 1.097 20 5 DDBDRO CC[C@H](C)[C@H](O)C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000577280352 308376317 /nfs/dbraw/zinc/37/63/17/308376317.db2.gz ODXNTWYSVJTGQK-SGMGOOAPSA-N 1 0 312.366 1.331 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@H]1CCC[C@H](O)C1 ZINC000578892427 308493116 /nfs/dbraw/zinc/49/31/16/308493116.db2.gz VDAXYXWGFPQSKM-MELADBBJSA-N 1 0 324.377 1.475 20 5 DDBDRO COc1cccc(C(=O)N2CCC3(CC[NH2+]3)CC2)c1[N+](=O)[O-] ZINC000578986692 308499042 /nfs/dbraw/zinc/49/90/42/308499042.db2.gz QNOSRQJFSAXVIG-UHFFFAOYSA-N 1 0 305.334 1.572 20 5 DDBDRO Cc1cc(N2CC[C@H](CO)[C@H](O)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000579658158 308547153 /nfs/dbraw/zinc/54/71/53/308547153.db2.gz VXYXXTLJMSUYFP-BDJLRTHQSA-N 1 0 317.345 1.631 20 5 DDBDRO [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000579717070 308553115 /nfs/dbraw/zinc/55/31/15/308553115.db2.gz XXLDMHWMRPDXCO-LLVKDONJSA-N 1 0 301.306 1.016 20 5 DDBDRO COc1ccc(CC(=O)NC2(C[NH3+])CCCC2)cc1[N+](=O)[O-] ZINC000580893033 308639097 /nfs/dbraw/zinc/63/90/97/308639097.db2.gz BZOUBBRDAZZJBR-UHFFFAOYSA-N 1 0 307.350 1.534 20 5 DDBDRO O=C(c1ccc(F)cc1[N+](=O)[O-])N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000518379374 325791598 /nfs/dbraw/zinc/79/15/98/325791598.db2.gz IZNYRDMVAQDVIA-HNNXBMFYSA-N 1 0 307.325 1.950 20 5 DDBDRO CC1(C)[C@H](O)C[C@H]1[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000584002018 331558639 /nfs/dbraw/zinc/55/86/39/331558639.db2.gz IVIMEYYKTNBHAW-ZIAGYGMSSA-N 1 0 319.361 1.233 20 5 DDBDRO C[C@H]1COCC[N@@H+]1C1CCN(Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000582853776 337210668 /nfs/dbraw/zinc/21/06/68/337210668.db2.gz LQKSSBKHMOUVHB-LBPRGKRZSA-N 1 0 323.397 1.013 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000295590751 534335171 /nfs/dbraw/zinc/33/51/71/534335171.db2.gz WMLXICCTHVVEFC-ZDUSSCGKSA-N 1 0 321.377 1.480 20 5 DDBDRO C[NH2+]C[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000156619822 522051375 /nfs/dbraw/zinc/05/13/75/522051375.db2.gz RXZPLDGFHBKMKD-NSHDSACASA-N 1 0 313.379 1.276 20 5 DDBDRO CC(C)(CC(N)=O)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411524038 526982294 /nfs/dbraw/zinc/98/22/94/526982294.db2.gz JQHFHNWUIWPNOV-UHFFFAOYSA-N 1 0 308.338 1.167 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CCC(c3nnc[nH]3)CC2)c1 ZINC000154428450 527394005 /nfs/dbraw/zinc/39/40/05/527394005.db2.gz YAUBCOUCGLINQN-CQSZACIVSA-N 1 0 317.349 1.626 20 5 DDBDRO CCOc1cc(N2CC[N@H+](CCO)C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000302573015 528310593 /nfs/dbraw/zinc/31/05/93/528310593.db2.gz ZMOKGLQWKMZSSU-UHFFFAOYSA-N 1 0 323.393 1.886 20 5 DDBDRO CCOc1ccc(C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000449714099 528406714 /nfs/dbraw/zinc/40/67/14/528406714.db2.gz ZNPMNWMIDBPDEZ-PWSUYJOCSA-N 1 0 307.350 1.851 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000423608177 528694223 /nfs/dbraw/zinc/69/42/23/528694223.db2.gz LIQVSIYNXQBABK-MNOVXSKESA-N 1 0 307.350 1.864 20 5 DDBDRO CC(C)(C)[NH2+]CCNc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000735623303 598506634 /nfs/dbraw/zinc/50/66/34/598506634.db2.gz LEXCDCGGBFPLKN-UHFFFAOYSA-N 1 0 305.342 1.575 20 5 DDBDRO CC(C)N1CC[C@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000747815150 700087514 /nfs/dbraw/zinc/08/75/14/700087514.db2.gz GIZBCLYQPFHWNH-KBPBESRZSA-N 1 0 307.350 1.227 20 5 DDBDRO CCN(CC1CC1)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000112200107 696648867 /nfs/dbraw/zinc/64/88/67/696648867.db2.gz UVVCJJLHJRHDMD-UHFFFAOYSA-N 1 0 303.318 1.880 20 5 DDBDRO C[C@@H](C(=O)OCCn1cc([N+](=O)[O-])cn1)[NH+]1CCCCCC1 ZINC000748129654 700101239 /nfs/dbraw/zinc/10/12/39/700101239.db2.gz SVZRRNLNLKBPTA-LBPRGKRZSA-N 1 0 310.354 1.599 20 5 DDBDRO COCC[NH+]1CCC(NC(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000138548370 696861220 /nfs/dbraw/zinc/86/12/20/696861220.db2.gz PUXUHQXETYIBOW-UHFFFAOYSA-N 1 0 322.365 1.018 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)OCCC[NH+]1CCCCC1 ZINC000800154109 700194706 /nfs/dbraw/zinc/19/47/06/700194706.db2.gz KQJWULKBAJHWCB-UHFFFAOYSA-N 1 0 310.354 1.519 20 5 DDBDRO Cc1nn(CCC(=O)OCCC[NH+]2CCCC2)c(C)c1[N+](=O)[O-] ZINC000800159430 700195742 /nfs/dbraw/zinc/19/57/42/700195742.db2.gz MMCRXRHCRXSNEF-UHFFFAOYSA-N 1 0 324.381 1.827 20 5 DDBDRO CCO[C@@H]1COCC[C@H]1[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776489086 698110478 /nfs/dbraw/zinc/11/04/78/698110478.db2.gz YQPQKKYKHPNWMO-QLFBSQMISA-N 1 0 310.350 1.412 20 5 DDBDRO CNC(=O)[C@H]1CCCCN1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776582147 698121252 /nfs/dbraw/zinc/12/12/52/698121252.db2.gz RKFKOZGLDACWKR-KGLIPLIRSA-N 1 0 307.350 1.229 20 5 DDBDRO COC(=O)[C@]1(C)CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776586966 698122566 /nfs/dbraw/zinc/12/25/66/698122566.db2.gz RTDPGTMBFZCJDY-DZGCQCFKSA-N 1 0 308.334 1.513 20 5 DDBDRO NC(=O)C1([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000776591800 698123616 /nfs/dbraw/zinc/12/36/16/698123616.db2.gz OTFHNCMAPBETFS-ZDUSSCGKSA-N 1 0 307.350 1.406 20 5 DDBDRO Cn1c(C(=O)N2C[C@@H]([NH3+])Cc3ccccc32)ccc1[N+](=O)[O-] ZINC000262025390 698451150 /nfs/dbraw/zinc/45/11/50/698451150.db2.gz YDORJSGRIUIVRU-NSHDSACASA-N 1 0 300.318 1.464 20 5 DDBDRO C[C@@H]1CN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC[N@@H+]1C ZINC000782525580 698734186 /nfs/dbraw/zinc/73/41/86/698734186.db2.gz YPTXGEYFYZZIBP-LLVKDONJSA-N 1 0 324.356 1.698 20 5 DDBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@]2(CCC[NH2+]2)C1 ZINC000420394110 699138977 /nfs/dbraw/zinc/13/89/77/699138977.db2.gz ABSWVUFZSMHLKD-MLGOLLRUSA-N 1 0 318.377 1.750 20 5 DDBDRO CC[NH+](CC)CCOCCNC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000787267959 699200841 /nfs/dbraw/zinc/20/08/41/699200841.db2.gz CMGNTWDASHLSMY-UHFFFAOYSA-N 1 0 324.381 1.265 20 5 DDBDRO CCC[N@H+](C)CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000726589820 699369567 /nfs/dbraw/zinc/36/95/67/699369567.db2.gz PEDWEWXLNPUGJH-UHFFFAOYSA-N 1 0 306.322 1.663 20 5 DDBDRO C[N@@H+]1CC[C@@H](CNC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000732060747 699545020 /nfs/dbraw/zinc/54/50/20/699545020.db2.gz SUGPUZJHEZENTE-NSHDSACASA-N 1 0 317.349 1.012 20 5 DDBDRO C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CC[N@@H+]1C ZINC000741721809 699848870 /nfs/dbraw/zinc/84/88/70/699848870.db2.gz CQUXNWNRGOJRKG-NEPJUHHUSA-N 1 0 320.393 1.873 20 5 DDBDRO C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CC[N@@H+]1C ZINC000741721812 699848911 /nfs/dbraw/zinc/84/89/11/699848911.db2.gz CQUXNWNRGOJRKG-RYUDHWBXSA-N 1 0 320.393 1.873 20 5 DDBDRO Cc1nn(C[N@H+]2CCC[C@@H]2C[C@@H](C)O)c2ncc([N+](=O)[O-])cc12 ZINC000752803525 700389104 /nfs/dbraw/zinc/38/91/04/700389104.db2.gz JNMLIZQRTPCRKH-ZYHUDNBSSA-N 1 0 319.365 1.841 20 5 DDBDRO COC(=O)C[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000754517792 700507353 /nfs/dbraw/zinc/50/73/53/700507353.db2.gz NHWPIPJNFFUNOW-UONOGXRCSA-N 1 0 308.334 1.560 20 5 DDBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCCOCC[NH+](C)C 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XXMRUFQFOQZHJI-ZIAGYGMSSA-N 1 0 323.418 1.620 20 5 DDBDRO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839718434 701796118 /nfs/dbraw/zinc/79/61/18/701796118.db2.gz POWFVVJUBHXFIP-RRCSTGOVSA-N 1 0 317.389 1.773 20 5 DDBDRO C[NH+](C)CC1(NC(=O)Cc2cccc(F)c2[N+](=O)[O-])CCC1 ZINC000868020691 701895489 /nfs/dbraw/zinc/89/54/89/701895489.db2.gz XJTGELANFNLDBK-UHFFFAOYSA-N 1 0 309.341 1.877 20 5 DDBDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815600406 701901968 /nfs/dbraw/zinc/90/19/68/701901968.db2.gz SLVHPGYLASAVMS-NDMJEZRESA-N 1 0 306.366 1.742 20 5 DDBDRO C[C@@H]([NH2+]C[C@@H](CO)c1cccnc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815626421 701905454 /nfs/dbraw/zinc/90/54/54/701905454.db2.gz CUGIMMDTAPVTRS-RISCZKNCSA-N 1 0 316.361 1.999 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)NCc3ccccc3[N+](=O)[O-])CC[C@H]21 ZINC000868062302 701920470 /nfs/dbraw/zinc/92/04/70/701920470.db2.gz KJWFUVRYWCCNCI-ZIAGYGMSSA-N 1 0 318.377 1.830 20 5 DDBDRO C[C@@H](CNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)C[NH+](C)C ZINC000816831731 702200014 /nfs/dbraw/zinc/20/00/14/702200014.db2.gz FEQRGWNDOFKVMR-NSHDSACASA-N 1 0 319.365 1.258 20 5 DDBDRO Cc1cnc(N2CCC([NH+]3CCN(C)CC3)CC2)c([N+](=O)[O-])c1 ZINC000866212279 706650511 /nfs/dbraw/zinc/65/05/11/706650511.db2.gz KHPRKZCHYFWXTN-UHFFFAOYSA-N 1 0 319.409 1.514 20 5 DDBDRO C[C@H]([NH3+])CCNC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000841164938 702372640 /nfs/dbraw/zinc/37/26/40/702372640.db2.gz ZJODIAQMYKSTCK-ZETCQYMHSA-N 1 0 314.729 1.040 20 5 DDBDRO C[C@@H]([NH3+])[C@@H](C)NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000841255050 702404258 /nfs/dbraw/zinc/40/42/58/702404258.db2.gz BBAQNGMXFBUZQM-RNFRBKRXSA-N 1 0 314.729 1.039 20 5 DDBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]Cc1nnnn1C1CC1 ZINC000866302352 706669614 /nfs/dbraw/zinc/66/96/14/706669614.db2.gz BKHQRHXYWLAWTO-SECBINFHSA-N 1 0 320.328 1.776 20 5 DDBDRO C[C@H](C[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-])S(C)(=O)=O ZINC000866311141 706671016 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DDBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@H](C)C[NH3+])c1 ZINC000842762700 702768997 /nfs/dbraw/zinc/76/89/97/702768997.db2.gz RKQMIMIGMYVHKX-SSDOTTSWSA-N 1 0 307.759 1.182 20 5 DDBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000842882143 702786504 /nfs/dbraw/zinc/78/65/04/702786504.db2.gz OTMRHWKWDWMHLG-HTQZYQBOSA-N 1 0 321.786 1.571 20 5 DDBDRO CSC[C@@H](CCO)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843082676 702815421 /nfs/dbraw/zinc/81/54/21/702815421.db2.gz DEOWRNDJDBHEKJ-YPMHNXCESA-N 1 0 300.380 1.332 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(Cc2noc([C@@H]3C[NH2+]CCO3)n2)c1 ZINC000843223264 702845329 /nfs/dbraw/zinc/84/53/29/702845329.db2.gz NYFHBKUIPJKCDE-LBPRGKRZSA-N 1 0 320.305 1.238 20 5 DDBDRO C[C@H]1[NH2+]CCN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)[C@@H]1C ZINC000843472989 702888744 /nfs/dbraw/zinc/88/87/44/702888744.db2.gz UWVCXJPQQFRJDN-GHMZBOCLSA-N 1 0 317.349 1.153 20 5 DDBDRO C[NH+]1CCC2(CC1)CN(C(=O)CCC(C)(C)[N+](=O)[O-])CCO2 ZINC000844093886 702970679 /nfs/dbraw/zinc/97/06/79/702970679.db2.gz JWELMVOZPBVGBZ-UHFFFAOYSA-N 1 0 313.398 1.145 20 5 DDBDRO C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N)[C@H]1CC[NH3+] ZINC000846694094 703318763 /nfs/dbraw/zinc/31/87/63/703318763.db2.gz MNEAGSKQPABJJK-YGRLFVJLSA-N 1 0 306.366 1.767 20 5 DDBDRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)c2cc(F)c([N+](=O)[O-])cc2F)C1 ZINC000847181041 703385290 /nfs/dbraw/zinc/38/52/90/703385290.db2.gz MAEFWFUDWJFMRA-DTORHVGOSA-N 1 0 313.304 1.943 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=[NH2+])N1CCO[C@@H](C)C1 ZINC000848995939 703608587 /nfs/dbraw/zinc/60/85/87/703608587.db2.gz OXJAFNSMUCGNBF-JTQLQIEISA-N 1 0 308.338 1.348 20 5 DDBDRO CCO[C@H](CNC(=O)CCc1cccc([N+](=O)[O-])c1)C[NH+](C)C ZINC000831739765 706767903 /nfs/dbraw/zinc/76/79/03/706767903.db2.gz XIARLEHEXWNQFJ-OAHLLOKOSA-N 1 0 323.393 1.610 20 5 DDBDRO CC[NH2+][C@H](C)CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C ZINC000818582232 703929821 /nfs/dbraw/zinc/92/98/21/703929821.db2.gz GLLSAWNAJKVBSL-MRVPVSSYSA-N 1 0 310.310 1.539 20 5 DDBDRO COc1ccc(OCCN2CCC[C@H]3[NH2+]CC[C@@H]32)c([N+](=O)[O-])c1 ZINC000866723130 706776301 /nfs/dbraw/zinc/77/63/01/706776301.db2.gz DPZMMSNTLWYVNN-KGLIPLIRSA-N 1 0 321.377 1.809 20 5 DDBDRO COCCN1CCC[C@@H]1C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819018838 704052738 /nfs/dbraw/zinc/05/27/38/704052738.db2.gz YNOSNRDUXYMBEC-CVEARBPZSA-N 1 0 323.393 1.329 20 5 DDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000870973980 704187692 /nfs/dbraw/zinc/18/76/92/704187692.db2.gz DLSPUXBYDDJQQB-BTTYYORXSA-N 1 0 303.362 1.784 20 5 DDBDRO O=c1[nH]ccc(NC2CC[NH+](C[C@@H]3CCCO3)CC2)c1[N+](=O)[O-] ZINC000853160740 704206996 /nfs/dbraw/zinc/20/69/96/704206996.db2.gz SAIJFUDWIGOCOM-LBPRGKRZSA-N 1 0 322.365 1.751 20 5 DDBDRO Nc1ccc([N+](=O)[O-])c(N2CCC([N@@H+]3CCCOCC3)CC2)c1 ZINC000853688423 704300030 /nfs/dbraw/zinc/30/00/30/704300030.db2.gz NXDDVZRKHGEOFB-UHFFFAOYSA-N 1 0 320.393 1.868 20 5 DDBDRO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](CO)C[NH+](C)C ZINC000854465636 704401983 /nfs/dbraw/zinc/40/19/83/704401983.db2.gz RYRHXYFXJGLKNV-BIRHUZIMSA-N 1 0 307.350 1.037 20 5 DDBDRO C[N@@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000854643232 704431979 /nfs/dbraw/zinc/43/19/79/704431979.db2.gz SEOIQYUICYJEOH-CHWSQXEVSA-N 1 0 313.398 1.144 20 5 DDBDRO CN(CC1C[NH+](C)C1)C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000855638735 704494117 /nfs/dbraw/zinc/49/41/17/704494117.db2.gz RYVSAKTWXVIQNR-UHFFFAOYSA-N 1 0 313.304 1.707 20 5 DDBDRO O=[N+]([O-])c1ccc(N[C@@H]2CCN(c3cc[nH+]c(CO)c3)C2)nc1 ZINC000858455218 704713299 /nfs/dbraw/zinc/71/32/99/704713299.db2.gz KUBBVJSAEYPDMP-LLVKDONJSA-N 1 0 315.333 1.568 20 5 DDBDRO CCOc1cc(C[N@@H+]2C[C@@H]3COC(=O)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000860165933 705121046 /nfs/dbraw/zinc/12/10/46/705121046.db2.gz DDIFJIXPNJVLRH-VXGBXAGGSA-N 1 0 306.318 1.598 20 5 DDBDRO O=[N+]([O-])c1ccccc1NCCc1nc(N2CC[NH2+]CC2)no1 ZINC000823320552 705206566 /nfs/dbraw/zinc/20/65/66/705206566.db2.gz FCMJLSLEAIDFOC-UHFFFAOYSA-N 1 0 318.337 1.042 20 5 DDBDRO CCn1nc(C)c(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)n1 ZINC000824382972 705441360 /nfs/dbraw/zinc/44/13/60/705441360.db2.gz IDRWYLNEIPZOCU-UHFFFAOYSA-N 1 0 304.354 1.480 20 5 DDBDRO O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])OCC[NH+]1CCC1 ZINC000861389502 705454673 /nfs/dbraw/zinc/45/46/73/705454673.db2.gz NXFVMQAUHAMMID-UHFFFAOYSA-N 1 0 323.305 1.685 20 5 DDBDRO Cc1c(C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000825189029 705620795 /nfs/dbraw/zinc/62/07/95/705620795.db2.gz WGAFXDPQBDPRNC-VHSXEESVSA-N 1 0 322.321 1.669 20 5 DDBDRO CC[C@H](C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)N1CCCC1 ZINC000876927281 705927220 /nfs/dbraw/zinc/92/72/20/705927220.db2.gz XSOKRSIZYIKNNY-ROKHWSDSSA-N 1 0 307.398 1.959 20 5 DDBDRO COC(=O)C1=CC[C@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000863572504 705961155 /nfs/dbraw/zinc/96/11/55/705961155.db2.gz OYMWQPCXRFEQBN-GXTWGEPZSA-N 1 0 306.318 1.480 20 5 DDBDRO CNc1c(C(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)cccc1[N+](=O)[O-] ZINC000827278616 705967268 /nfs/dbraw/zinc/96/72/68/705967268.db2.gz XLANGEAKKQFEIA-YPMHNXCESA-N 1 0 318.377 1.803 20 5 DDBDRO O=C1[C@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C[C@@H]2CCCCN12 ZINC000877579349 706148402 /nfs/dbraw/zinc/14/84/02/706148402.db2.gz PMLOFAZWDXLWPQ-BOLFBJMRSA-N 1 0 319.365 1.238 20 5 DDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@H]3CCCC(F)(F)[C@@H]3O)C2)c1 ZINC000877589712 706151363 /nfs/dbraw/zinc/15/13/63/706151363.db2.gz KIFRSRDDPKVGIO-CHCPCTANSA-N 1 0 316.308 1.633 20 5 DDBDRO Cc1c(CN2CN(CC[NH+](C)C)C(=O)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000877606880 706157551 /nfs/dbraw/zinc/15/75/51/706157551.db2.gz NQXYDWDPELCWBL-ZDUSSCGKSA-N 1 0 320.393 1.455 20 5 DDBDRO Cc1ccc(NC(=O)/C=C\CN2CCOCC2)cc1[N+](=O)[O-] ZINC000864404567 706158381 /nfs/dbraw/zinc/15/83/81/706158381.db2.gz GPWJFJKMXKLASO-IHWYPQMZSA-N 1 0 305.334 1.730 20 5 DDBDRO CC[N@@H+]1CCN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])C[C@@H]1C ZINC000866948395 706853069 /nfs/dbraw/zinc/85/30/69/706853069.db2.gz HYMJYRDYVMHIAX-NSHDSACASA-N 1 0 309.341 1.829 20 5 DDBDRO CCO[C@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1)C[NH+](C)C ZINC000926826693 712908327 /nfs/dbraw/zinc/90/83/27/712908327.db2.gz ZVAZZXOKXJPUOT-CYBMUJFWSA-N 1 0 310.354 1.683 20 5 DDBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000832976322 706998880 /nfs/dbraw/zinc/99/88/80/706998880.db2.gz ZHVXLQBETNKYLX-WFASDCNBSA-N 1 0 323.393 1.865 20 5 DDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCO[C@H]2CCOC2)n1 ZINC000927082246 712939474 /nfs/dbraw/zinc/93/94/74/712939474.db2.gz VYUAWLWHSFOSJT-BFHYXJOUSA-N 1 0 324.381 1.670 20 5 DDBDRO Cn1nccc1[C@@H](O)C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000927133463 712945883 /nfs/dbraw/zinc/94/58/83/712945883.db2.gz YWJXCQRRHRXNMR-WFASDCNBSA-N 1 0 302.334 1.639 20 5 DDBDRO O=[N+]([O-])c1c(F)nccc1N1CCN(c2cc[nH+]cc2)CC1 ZINC000881775263 707362051 /nfs/dbraw/zinc/36/20/51/707362051.db2.gz CSXGLSYFHDESPX-UHFFFAOYSA-N 1 0 303.297 1.851 20 5 DDBDRO CC[N@@H+]1CC[C@H]1CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000882481239 707651707 /nfs/dbraw/zinc/65/17/07/707651707.db2.gz AARWEMUGVOGANQ-NSHDSACASA-N 1 0 302.334 1.900 20 5 DDBDRO CC[N@@H+]1CC[C@H]1CNC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000882485909 707656917 /nfs/dbraw/zinc/65/69/17/707656917.db2.gz MHJSAEHKBLOMNM-JTQLQIEISA-N 1 0 311.313 1.323 20 5 DDBDRO CCc1n[nH]c(C(=O)N2CCC(C)([NH+]3CCC3)CC2)c1[N+](=O)[O-] ZINC000882504009 707670772 /nfs/dbraw/zinc/67/07/72/707670772.db2.gz HZFLVJXSDLLZID-UHFFFAOYSA-N 1 0 321.381 1.581 20 5 DDBDRO CC1([NH+]2CCC2)CCN(c2c(C(N)=O)cccc2[N+](=O)[O-])CC1 ZINC000882962319 707875100 /nfs/dbraw/zinc/87/51/00/707875100.db2.gz PHXZVAVPDIMBPP-UHFFFAOYSA-N 1 0 318.377 1.758 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N2C[C@H]3CC[N@@H+](C)[C@H]3C2)c1F ZINC000839412499 708046908 /nfs/dbraw/zinc/04/69/08/708046908.db2.gz VCLLUWKXOZCPOZ-MFKMUULPSA-N 1 0 307.325 1.818 20 5 DDBDRO COCC[C@H]([NH3+])C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000884101274 708139274 /nfs/dbraw/zinc/13/92/74/708139274.db2.gz STINQADMFGPVGA-AWEZNQCLSA-N 1 0 309.366 1.696 20 5 DDBDRO C[NH2+]CCN(C)C(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000884242603 708206444 /nfs/dbraw/zinc/20/64/44/708206444.db2.gz CBCDODAYEMAERY-UHFFFAOYSA-N 1 0 309.322 1.048 20 5 DDBDRO Cc1cccc(N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)c1[N+](=O)[O-] ZINC000897220930 708258751 /nfs/dbraw/zinc/25/87/51/708258751.db2.gz ZSKMHWBJKIKQDQ-UONOGXRCSA-N 1 0 305.378 1.939 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@](C)(O)CC[NH+](C)C)c1C ZINC000897439752 708330445 /nfs/dbraw/zinc/33/04/45/708330445.db2.gz FLYKLGHWHGLPSZ-INIZCTEOSA-N 1 0 323.393 1.644 20 5 DDBDRO O=[N+]([O-])c1ncccc1CN1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000886021128 708682570 /nfs/dbraw/zinc/68/25/70/708682570.db2.gz PJVCUCHRJZEGKR-CYBMUJFWSA-N 1 0 306.366 1.144 20 5 DDBDRO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3cccnc3[N+](=O)[O-])[C@@H]2C1 ZINC000886208180 708715088 /nfs/dbraw/zinc/71/50/88/708715088.db2.gz XYPRVEMGSLNQCV-RRFJBIMHSA-N 1 0 318.377 1.726 20 5 DDBDRO CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]Cc2cccnc2[N+](=O)[O-])C1 ZINC000886274571 708734445 /nfs/dbraw/zinc/73/44/45/708734445.db2.gz WIQUUUSAVOSUFN-YUTCNCBUSA-N 1 0 309.366 1.646 20 5 DDBDRO O=[N+]([O-])c1ncccc1C[N@H+]1CC2(CCOCC2)CC[C@@H]1CO ZINC000886297668 708737924 /nfs/dbraw/zinc/73/79/24/708737924.db2.gz XDYGBMJOSWHDMD-CQSZACIVSA-N 1 0 321.377 1.743 20 5 DDBDRO Cc1cc(C(=O)N2CC([NH+]3CCCC3)C2)c(N)c([N+](=O)[O-])c1 ZINC000898610637 708810298 /nfs/dbraw/zinc/81/02/98/708810298.db2.gz MJBIQGBIYYBADN-UHFFFAOYSA-N 1 0 304.350 1.406 20 5 DDBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCN1CCNC1=O ZINC000886747353 708834403 /nfs/dbraw/zinc/83/44/03/708834403.db2.gz REYLIFPVGKKXQR-SNVBAGLBSA-N 1 0 324.406 1.993 20 5 DDBDRO CNC(=O)C1([NH2+]Cc2cccc([N+](=O)[O-])c2C)CCOCC1 ZINC000887084692 708950663 /nfs/dbraw/zinc/95/06/63/708950663.db2.gz FIFWBQGAIWFQBE-UHFFFAOYSA-N 1 0 307.350 1.288 20 5 DDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000900160821 709311489 /nfs/dbraw/zinc/31/14/89/709311489.db2.gz ZUNCBDSAYAKBDW-INIZCTEOSA-N 1 0 321.377 1.400 20 5 DDBDRO COc1c(C(=O)N2CCC23CC[NH+](C)CC3)cccc1[N+](=O)[O-] ZINC000889222876 709463910 /nfs/dbraw/zinc/46/39/10/709463910.db2.gz DPCGIJZXKGJUOF-UHFFFAOYSA-N 1 0 319.361 1.914 20 5 DDBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000891410494 710190727 /nfs/dbraw/zinc/19/07/27/710190727.db2.gz QLZNZDXPTIHTMA-LSDHHAIUSA-N 1 0 318.377 1.673 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1NCc1ccc(OCC[NH+](C)C)cc1 ZINC000891891197 710319123 /nfs/dbraw/zinc/31/91/23/710319123.db2.gz MVWJHZFDPZAOMT-UHFFFAOYSA-N 1 0 319.365 1.881 20 5 DDBDRO Cc1ccc(CNC(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)cc1[N+](=O)[O-] ZINC000892091367 710370224 /nfs/dbraw/zinc/37/02/24/710370224.db2.gz FMSMWNILOMFQEE-WCQYABFASA-N 1 0 306.366 1.700 20 5 DDBDRO Cc1ccc(CNC(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000892536674 710453913 /nfs/dbraw/zinc/45/39/13/710453913.db2.gz IDYOZKRXRDBCMR-ZIAGYGMSSA-N 1 0 318.377 1.797 20 5 DDBDRO COc1cc([N+](=O)[O-])cnc1NCC[NH+]1CCC(OC)CC1 ZINC000892854657 710513122 /nfs/dbraw/zinc/51/31/22/710513122.db2.gz VSBVPYDNRHNYKL-UHFFFAOYSA-N 1 0 310.354 1.521 20 5 DDBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@H]1CCS(=O)(=O)C1 ZINC000892936690 710528298 /nfs/dbraw/zinc/52/82/98/710528298.db2.gz KTHDLWUHOGUACG-YPMHNXCESA-N 1 0 312.391 1.550 20 5 DDBDRO C[C@@H]1[C@@H](NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC[N@@H+]1C ZINC000928445237 713199677 /nfs/dbraw/zinc/19/96/77/713199677.db2.gz PQLCXAPPUCZAIA-RISCZKNCSA-N 1 0 316.361 1.758 20 5 DDBDRO CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000902433222 710752844 /nfs/dbraw/zinc/75/28/44/710752844.db2.gz ZANDQFLJZKOHHN-CORIIIEPSA-N 1 0 321.377 1.582 20 5 DDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)n1 ZINC000902469013 710763785 /nfs/dbraw/zinc/76/37/85/710763785.db2.gz NOAIUIDKPKGYHQ-MEBFFEOJSA-N 1 0 305.382 1.758 20 5 DDBDRO Cn1c2ccccc2c(NCC2([NH+](C)C)CC2)c([N+](=O)[O-])c1=O ZINC000894231466 711026055 /nfs/dbraw/zinc/02/60/55/711026055.db2.gz NUBIRSSRXBEQLH-UHFFFAOYSA-N 1 0 316.361 1.953 20 5 DDBDRO COc1cc([C@@H](C)[NH2+]C[C@@]2(C)CCC(=O)N2)cc([N+](=O)[O-])c1 ZINC000903183441 711057662 /nfs/dbraw/zinc/05/76/62/711057662.db2.gz ONIQFVCFKANMNF-MEBBXXQBSA-N 1 0 307.350 1.923 20 5 DDBDRO COC(=O)N(C)CC[NH2+][C@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903200826 711062743 /nfs/dbraw/zinc/06/27/43/711062743.db2.gz SRUFIITWFGETHF-SNVBAGLBSA-N 1 0 311.338 1.952 20 5 DDBDRO C[NH2+]CCCCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000911973183 711098012 /nfs/dbraw/zinc/09/80/12/711098012.db2.gz GYXUAURKHAHSRF-UHFFFAOYSA-N 1 0 320.393 1.633 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C)[C@H](C(C)(C)C)C1 ZINC000912030202 711133087 /nfs/dbraw/zinc/13/30/87/711133087.db2.gz AYMIKHFBKSBJJM-ZDUSSCGKSA-N 1 0 308.382 1.736 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC000904272866 711422027 /nfs/dbraw/zinc/42/20/27/711422027.db2.gz KHVJFZUPGKZNJA-HNNXBMFYSA-N 1 0 320.349 1.963 20 5 DDBDRO O=C1N(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)C[C@@H]2CCCCN12 ZINC000895343275 711489956 /nfs/dbraw/zinc/48/99/56/711489956.db2.gz PSYSBIMPCDWZKD-HNNXBMFYSA-N 1 0 318.377 1.975 20 5 DDBDRO Nc1ccc(N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)nc1[N+](=O)[O-] ZINC000895567627 711544305 /nfs/dbraw/zinc/54/43/05/711544305.db2.gz GFEKGOCBMAVIJC-MNOVXSKESA-N 1 0 309.395 1.564 20 5 DDBDRO Cc1cc(C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCN2C)cc([N+](=O)[O-])c1 ZINC000896568491 711754643 /nfs/dbraw/zinc/75/46/43/711754643.db2.gz NLSJDHOVGYFGJI-IUODEOHRSA-N 1 0 320.393 1.267 20 5 DDBDRO CCN1CC[C@@H]1C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000905443287 712039203 /nfs/dbraw/zinc/03/92/03/712039203.db2.gz YVXJJAMSTGFJRV-OLZOCXBDSA-N 1 0 309.366 1.018 20 5 DDBDRO C[C@@]1(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CCCCO1 ZINC000905587021 712087159 /nfs/dbraw/zinc/08/71/59/712087159.db2.gz GQXLKDZKPQWISC-BBRMVZONSA-N 1 0 324.377 1.883 20 5 DDBDRO CC(C)(C(=O)NCCn1cc([N+](=O)[O-])cn1)[NH+]1CCCCC1 ZINC000907067148 712479090 /nfs/dbraw/zinc/47/90/90/712479090.db2.gz YSIPNQIZRXMHGZ-UHFFFAOYSA-N 1 0 309.370 1.172 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NCC1([NH+](C)C)CC1 ZINC000914292502 713371752 /nfs/dbraw/zinc/37/17/52/713371752.db2.gz WUCZUTOIVHDFGU-UHFFFAOYSA-N 1 0 322.365 1.497 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC1CC([NH+](C)C)C1 ZINC000916956842 713475855 /nfs/dbraw/zinc/47/58/55/713475855.db2.gz YMFLGBZVZRASNV-UHFFFAOYSA-N 1 0 313.379 1.274 20 5 DDBDRO C[N@@H+]1CCCN(C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC000929228691 713571700 /nfs/dbraw/zinc/57/17/00/713571700.db2.gz RBOJWTAZQKGVQU-HUUCEWRRSA-N 1 0 303.362 1.862 20 5 DDBDRO Cc1c(C[NH2+]Cc2cnc3n2CCOC3)cccc1[N+](=O)[O-] ZINC000922049180 713946726 /nfs/dbraw/zinc/94/67/26/713946726.db2.gz UYDNEYBAKNCMKF-UHFFFAOYSA-N 1 0 302.334 1.920 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000930912016 713956475 /nfs/dbraw/zinc/95/64/75/713956475.db2.gz RHOSQKGVEBJRDR-GFCCVEGCSA-N 1 0 323.397 1.336 20 5 DDBDRO C[N@@H+]1C[C@@]2(C)CN(C[C@@H](O)c3cccc([N+](=O)[O-])c3)C[C@@]2(C)C1 ZINC000931312893 714063189 /nfs/dbraw/zinc/06/31/89/714063189.db2.gz WBTCMOFXOMQMMW-ZACQAIPSSA-N 1 0 319.405 1.902 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1[C@H](C)C[NH2+][C@@H](C)[C@@H]1C ZINC000923443370 714357497 /nfs/dbraw/zinc/35/74/97/714357497.db2.gz QUGZMAPDUURDLG-AGIUHOORSA-N 1 0 320.393 1.912 20 5 DDBDRO CCOC(=O)[C@@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000932647225 714374854 /nfs/dbraw/zinc/37/48/54/714374854.db2.gz NJGYNXUGYHKWID-GFCCVEGCSA-N 1 0 308.334 1.859 20 5 DDBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)Cn2c(C)ncc2[N+](=O)[O-])C1 ZINC000933771569 714669039 /nfs/dbraw/zinc/66/90/39/714669039.db2.gz SVEISFAQAWWMMF-CYBMUJFWSA-N 1 0 323.397 1.290 20 5 DDBDRO O=[N+]([O-])c1ccc(CN2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)c(F)c1 ZINC000934257580 714777040 /nfs/dbraw/zinc/77/70/40/714777040.db2.gz AMTVHBOVCKWFIH-HOTGVXAUSA-N 1 0 323.368 1.765 20 5 DDBDRO CCn1nccc1C(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001126184555 738484591 /nfs/dbraw/zinc/48/45/91/738484591.db2.gz MCRFLXKICZDFFJ-UHFFFAOYSA-N 1 0 317.349 1.331 20 5 DDBDRO Cc1nc(Cl)c([N+](=O)[O-])c(-n2ccnc2[C@H]2CCC[NH2+]C2)n1 ZINC001167056485 732363593 /nfs/dbraw/zinc/36/35/93/732363593.db2.gz NKSXEUNNMAHTIO-VIFPVBQESA-N 1 0 322.756 1.999 20 5 DDBDRO COc1cc(C)nc(-n2ccnc2[C@H]2CCC[NH2+]C2)c1[N+](=O)[O-] ZINC001167058170 732371448 /nfs/dbraw/zinc/37/14/48/732371448.db2.gz YUDDETPZWHGKCG-NSHDSACASA-N 1 0 317.349 1.960 20 5 DDBDRO O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1cccc(=O)[nH]1 ZINC001125292646 732430045 /nfs/dbraw/zinc/43/00/45/732430045.db2.gz SNDMYKJWUPHMSX-UHFFFAOYSA-N 1 0 322.346 1.277 20 5 DDBDRO O=C(/C=C\c1ccc[nH]1)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001126239288 738745058 /nfs/dbraw/zinc/74/50/58/738745058.db2.gz WJSKAFCSZACCCL-SREVYHEPSA-N 1 0 314.345 1.842 20 5 DDBDRO O=C(NCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1cncc(F)c1 ZINC001125577911 734653687 /nfs/dbraw/zinc/65/36/87/734653687.db2.gz QOWPPPCJLHHMCJ-UHFFFAOYSA-N 1 0 318.308 1.649 20 5 DDBDRO COCCC1(CNc2ccc([N+](=O)[O-])c(N)n2)CC[NH2+]CC1 ZINC001161503730 738138781 /nfs/dbraw/zinc/13/87/81/738138781.db2.gz RVYCWUMEJKPIIW-UHFFFAOYSA-N 1 0 309.370 1.390 20 5 DDBDRO CN(CCNC(=O)CCc1c[nH]cn1)c1ccc([N+](=O)[O-])cc1 ZINC001100380399 739267085 /nfs/dbraw/zinc/26/70/85/739267085.db2.gz JURWWICNEHBMFT-UHFFFAOYSA-N 1 0 317.349 1.503 20 5 DDBDRO C[C@@H](NC(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C)c1ccc([N+](=O)[O-])cc1 ZINC000928246699 740129817 /nfs/dbraw/zinc/12/98/17/740129817.db2.gz LBZJLXMFZLQIGH-YVLXSGLVSA-N 1 0 307.350 1.227 20 5 DDBDRO Cc1c[nH]nc1C(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001126851680 742378857 /nfs/dbraw/zinc/37/88/57/742378857.db2.gz DFLITXKNMHKHCR-UHFFFAOYSA-N 1 0 303.322 1.146 20 5 DDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC2(C[NH+](CC3CCCC3)C2)CC1 ZINC001035704414 751791004 /nfs/dbraw/zinc/79/10/04/751791004.db2.gz NLTRYIRYACEWGE-HUUCEWRRSA-N 1 0 321.421 1.766 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](C)CC[NH+](CC)CC)n1 ZINC001181653155 743286602 /nfs/dbraw/zinc/28/66/02/743286602.db2.gz CRTSQVDRGHECTF-LLVKDONJSA-N 1 0 311.386 1.661 20 5 DDBDRO O=C1C[C@@H](CC[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CN1 ZINC001183709585 743890850 /nfs/dbraw/zinc/89/08/50/743890850.db2.gz PNDUNHOGXCZLAL-SECBINFHSA-N 1 0 304.306 1.352 20 5 DDBDRO CC[N@H+](C)[C@H]1CCN(c2ccc(CC(=O)OC)cc2[N+](=O)[O-])C1 ZINC001187926579 744636197 /nfs/dbraw/zinc/63/61/97/744636197.db2.gz LUGKYEHIOKDPJK-ZDUSSCGKSA-N 1 0 321.377 1.841 20 5 DDBDRO O=[N+]([O-])c1cc(F)c(CN2CC[C@H](c3nn[nH]n3)C2)c(F)c1 ZINC001197295616 747123248 /nfs/dbraw/zinc/12/32/48/747123248.db2.gz GRCJOCQPZHQBMG-ZETCQYMHSA-N 1 0 310.264 1.376 20 5 DDBDRO COc1cc(C[NH2+][C@H](CO)CC(F)F)c([N+](=O)[O-])cc1O ZINC001201972708 748656865 /nfs/dbraw/zinc/65/68/65/748656865.db2.gz UTGHLKWXKFIHJA-QMMMGPOBSA-N 1 0 306.265 1.415 20 5 DDBDRO O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1ccc(F)nc1 ZINC001124936845 748676205 /nfs/dbraw/zinc/67/62/05/748676205.db2.gz MJJWDHJGWDIUSK-UHFFFAOYSA-N 1 0 324.337 1.710 20 5 DDBDRO CCC[N@H+](C)CC(=O)NCCCN(C)c1ccc([N+](=O)[O-])cn1 ZINC001095605337 750072498 /nfs/dbraw/zinc/07/24/98/750072498.db2.gz GRZHEPACZWYXMB-UHFFFAOYSA-N 1 0 323.397 1.274 20 5 DDBDRO C[NH+](C)CCOc1cc(NCCn2cnnc2)ccc1[N+](=O)[O-] ZINC001168876139 762096391 /nfs/dbraw/zinc/09/63/91/762096391.db2.gz AHDHCMVQNOFEDW-UHFFFAOYSA-N 1 0 320.353 1.239 20 5 DDBDRO Cc1cnc(-n2nnc(-c3cccc(C[NH3+])c3)n2)cc1[N+](=O)[O-] ZINC001168885094 762106361 /nfs/dbraw/zinc/10/63/61/762106361.db2.gz RUSVRAVDZYJTDG-UHFFFAOYSA-N 1 0 311.305 1.400 20 5 DDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(C[NH2+]Cc2ccns2)CC1 ZINC000997770941 751268470 /nfs/dbraw/zinc/26/84/70/751268470.db2.gz CTXNTMXAEWUDOT-CHWSQXEVSA-N 1 0 324.406 1.137 20 5 DDBDRO O=C(NCC[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)Nc1ccccc1 ZINC001168979545 762148267 /nfs/dbraw/zinc/14/82/67/762148267.db2.gz ZDRSSGPGJOEOTR-GXTWGEPZSA-N 1 0 306.366 1.843 20 5 DDBDRO Cn1cc(Br)c(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)n1 ZINC001168979194 762148539 /nfs/dbraw/zinc/14/85/39/762148539.db2.gz WZVHRNJBZUPGNL-DTWKUNHWSA-N 1 0 317.187 1.718 20 5 DDBDRO CS(=O)(=O)c1cccc(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001168965562 762157712 /nfs/dbraw/zinc/15/77/12/762157712.db2.gz ARDTWVWPNLZQDM-CHWSQXEVSA-N 1 0 312.391 1.625 20 5 DDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+][C@H]2CCCN(c3ccncn3)C2)C1 ZINC001168992392 762165724 /nfs/dbraw/zinc/16/57/24/762165724.db2.gz JQBHTOFYZWLILE-MJBXVCDLSA-N 1 0 305.382 1.480 20 5 DDBDRO C[NH+](C)C[C@H]1Cn2ccnc2CN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169021797 762201190 /nfs/dbraw/zinc/20/11/90/762201190.db2.gz QQBPWGMYTYQJOU-SOUVJXGZSA-N 1 0 321.425 1.322 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCN(Cc3ccncc3)CC2)C1 ZINC001169024933 762202091 /nfs/dbraw/zinc/20/20/91/762202091.db2.gz HVZPEROECIXDMQ-HZPDHXFCSA-N 1 0 304.394 1.645 20 5 DDBDRO O=C(N[C@@H]1CCC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1)N1CCCC1 ZINC001169052079 762207038 /nfs/dbraw/zinc/20/70/38/762207038.db2.gz FXEDJRAZTCIFLJ-RRFJBIMHSA-N 1 0 324.425 1.702 20 5 DDBDRO Cc1ccnc(N([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C2CC[NH2+]CC2)n1 ZINC001169057753 762211084 /nfs/dbraw/zinc/21/10/84/762211084.db2.gz XTOCSADLPBQULL-DZGCQCFKSA-N 1 0 319.409 1.789 20 5 DDBDRO O=[N+]([O-])c1c(Cl)nc(Cl)nc1N1CCC[C@@H]2[NH2+]C[C@H]21 ZINC001165390935 756949125 /nfs/dbraw/zinc/94/91/25/756949125.db2.gz MHQWTZLGTYGRPK-NTSWFWBYSA-N 1 0 304.137 1.632 20 5 DDBDRO O=C(NC[C@H]1C[C@H]([NH2+]Cc2ccc(F)cc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001086363324 761492609 /nfs/dbraw/zinc/49/26/09/761492609.db2.gz OBRLJHJUKFVBDN-NMFUWQPSSA-N 1 0 321.352 1.475 20 5 DDBDRO N=C(NCCCC[NH3+])Nc1nc(Cl)c(Cl)cc1[N+](=O)[O-] ZINC001157094177 764409296 /nfs/dbraw/zinc/40/92/96/764409296.db2.gz LZAIHNVFGRXLRR-UHFFFAOYSA-N 1 0 321.168 1.972 20 5 DDBDRO C[C@@H](Nc1cc2c(c([N+](=O)[O-])c1)NN(C)C2)[C@H]1C[NH2+]CCO1 ZINC001170576444 768253664 /nfs/dbraw/zinc/25/36/64/768253664.db2.gz VFRXBHGFRWQNBP-NOZJJQNGSA-N 1 0 307.354 1.156 20 5 DDBDRO COc1ccc(C[C@@H](C)Nc2nccnc2C[NH3+])c([N+](=O)[O-])c1 ZINC001170315962 766246117 /nfs/dbraw/zinc/24/61/17/766246117.db2.gz ZRKXVZSUODWFTB-SNVBAGLBSA-N 1 0 317.349 1.895 20 5 DDBDRO COc1ccc(C[C@H](C)[NH2+][C@@H](CO)[C@H]2CCOC2)c([N+](=O)[O-])c1 ZINC001170318625 766249488 /nfs/dbraw/zinc/24/94/88/766249488.db2.gz QHPMOCXNFZDOGP-WHOFXGATSA-N 1 0 324.377 1.521 20 5 DDBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@](F)(C[NH3+])C1 ZINC001157817193 766752949 /nfs/dbraw/zinc/75/29/49/766752949.db2.gz KLPWRSFRRHPEJB-ZDUSSCGKSA-N 1 0 312.301 1.044 20 5 DDBDRO [NH3+]CCOCCOCCNc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC001170504552 767624523 /nfs/dbraw/zinc/62/45/23/767624523.db2.gz BWQJPZVELIQQRB-UHFFFAOYSA-N 1 0 320.349 1.547 20 5 DDBDRO COc1cc(C)c([N+](=O)[O-])cc1NCCOCCOCC[NH3+] ZINC001170510992 767683726 /nfs/dbraw/zinc/68/37/26/767683726.db2.gz JRORADSXALCHTI-UHFFFAOYSA-N 1 0 313.354 1.316 20 5 DDBDRO [NH3+]CCOCCOCCNc1nc(Cl)ccc1[N+](=O)[O-] ZINC001170511371 767685770 /nfs/dbraw/zinc/68/57/70/767685770.db2.gz QAJVOLRWZZSFNY-UHFFFAOYSA-N 1 0 304.734 1.047 20 5 DDBDRO Cc1c[nH]c(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)n1 ZINC001135051881 771300658 /nfs/dbraw/zinc/30/06/58/771300658.db2.gz DPOVVPGWNAAFJJ-UHFFFAOYSA-N 1 0 303.322 1.146 20 5 DDBDRO CC[NH+](CC)CC(=O)N[C@H]1C[C@H](Nc2ncccc2[N+](=O)[O-])C1 ZINC001097029934 771601477 /nfs/dbraw/zinc/60/14/77/771601477.db2.gz MANBGJZQNLAMPE-HAQNSBGRSA-N 1 0 321.381 1.391 20 5 DDBDRO Cc1ccc(NCCNC(=O)C[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC001093652115 774951874 /nfs/dbraw/zinc/95/18/74/774951874.db2.gz GPCHOLMKUQAMAI-UHFFFAOYSA-N 1 0 306.366 1.527 20 5 DDBDRO CCC[N@H+](C)CC(=O)NCCNc1ccc(C)cc1[N+](=O)[O-] ZINC001093788278 775079460 /nfs/dbraw/zinc/07/94/60/775079460.db2.gz WUYLUZXTUTZOEI-UHFFFAOYSA-N 1 0 308.382 1.773 20 5 DDBDRO CC[N@H+](C)CCC(=O)NCCNc1ccc([N+](=O)[O-])cc1F ZINC001093840711 775125634 /nfs/dbraw/zinc/12/56/34/775125634.db2.gz RHPGTPYDIKGRHE-UHFFFAOYSA-N 1 0 312.345 1.604 20 5 DDBDRO CC[N@H+](C)C(C)(C)C(=O)NCCNc1nccc(C)c1[N+](=O)[O-] ZINC001093953526 775263239 /nfs/dbraw/zinc/26/32/39/775263239.db2.gz ZWPKCZMUDIOJFX-UHFFFAOYSA-N 1 0 323.397 1.557 20 5 DDBDRO CNC(=O)CC[N@H+](C)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172918261 776930833 /nfs/dbraw/zinc/93/08/33/776930833.db2.gz ZXDRJSBERIRREM-CQSZACIVSA-N 1 0 305.378 1.910 20 5 DDBDRO CC[C@H]([NH2+][C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-])C(N)=O ZINC001173176096 777034188 /nfs/dbraw/zinc/03/41/88/777034188.db2.gz XIRXBZLRULHVMT-WPRPVWTQSA-N 1 0 313.329 1.527 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CC(=O)CCO)c1F ZINC001173192528 777037523 /nfs/dbraw/zinc/03/75/23/777037523.db2.gz QNCAKHNJVRAPEM-SECBINFHSA-N 1 0 314.313 1.215 20 5 DDBDRO CC[N@H+](C)CCC(=O)N(C)CCNc1nccc(C)c1[N+](=O)[O-] ZINC001101756985 777479973 /nfs/dbraw/zinc/47/99/73/777479973.db2.gz USPCWOUCYNPTTN-UHFFFAOYSA-N 1 0 323.397 1.510 20 5 DDBDRO CCC1(CC)CNC(=O)[C@H]1[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001176454028 778153274 /nfs/dbraw/zinc/15/32/74/778153274.db2.gz YETDAIOOQVMTAE-UONOGXRCSA-N 1 0 321.377 1.523 20 5 DDBDRO C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 ZINC001119952869 781695982 /nfs/dbraw/zinc/69/59/82/781695982.db2.gz FEMJKZGFFLDAOB-WCQYABFASA-N 1 0 312.391 1.550 20 5 DDBDRO CN(CC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)c1ccc[nH]1 ZINC001266641210 836580353 /nfs/dbraw/zinc/58/03/53/836580353.db2.gz UDEYWKHJWQHFNT-UHFFFAOYSA-N 1 0 308.363 1.846 20 5 DDBDRO Cc1cc(C(=O)N(C)CC[NH2+]Cc2ccccc2[N+](=O)[O-])[nH]n1 ZINC001266651169 836595217 /nfs/dbraw/zinc/59/52/17/836595217.db2.gz VTOHBRRYOPTRKN-UHFFFAOYSA-N 1 0 317.349 1.488 20 5 DDBDRO CCC/C=C/CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001266900783 837029028 /nfs/dbraw/zinc/02/90/28/837029028.db2.gz GDTAHGBAXUWVJE-FDAQZYERSA-N 1 0 307.394 1.444 20 5 DDBDRO CCOCCC[NH+]1CCC(C)(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001270225966 842401112 /nfs/dbraw/zinc/40/11/12/842401112.db2.gz RONGOJUXPIPOFJ-CHWSQXEVSA-N 1 0 313.398 1.049 20 5 DDBDRO C[NH+](C)CC[C@@H]1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC001154645488 861317156 /nfs/dbraw/zinc/31/71/56/861317156.db2.gz ZLMIOKIVIPEZSU-CYBMUJFWSA-N 1 0 320.393 1.807 20 5 DDBDRO CN(C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CCC[N@H+](C)C1 ZINC001326489242 861403165 /nfs/dbraw/zinc/40/31/65/861403165.db2.gz PLPNIQUVRHFISD-UONOGXRCSA-N 1 0 307.350 1.181 20 5 DDBDRO C[NH+](C)C[C@@H]1COCCN1c1ccc2c(cccc2[N+](=O)[O-])n1 ZINC001154968812 861610334 /nfs/dbraw/zinc/61/03/34/861610334.db2.gz QHPQNEUKSSXWCS-GFCCVEGCSA-N 1 0 316.361 1.910 20 5 DDBDRO O=C(N[C@H]1CC[C@H](C[NH2+]C/C=C/Cl)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001272726442 846724052 /nfs/dbraw/zinc/72/40/52/846724052.db2.gz DHTVUNWODUCIES-JLZSLLGCSA-N 1 0 315.801 1.669 20 5 DDBDRO O=C(NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cnns1 ZINC001155113849 861746996 /nfs/dbraw/zinc/74/69/96/861746996.db2.gz ZYAUABNOMSOOJB-UHFFFAOYSA-N 1 0 321.362 1.356 20 5 DDBDRO C[C@@H]1CCCN(c2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])C1 ZINC001155200659 861833279 /nfs/dbraw/zinc/83/32/79/861833279.db2.gz JQDFIPXCMOWJLB-LLVKDONJSA-N 1 0 306.370 1.031 20 5 DDBDRO Nc1nc(NC[C@H]2CCC3(CC[NH2+]CC3)CO2)ccc1[N+](=O)[O-] ZINC001155385194 862023694 /nfs/dbraw/zinc/02/36/94/862023694.db2.gz XFEBXHIDMZJKQD-LLVKDONJSA-N 1 0 321.381 1.533 20 5 DDBDRO Nc1nc(NCC[C@@H]2C[NH2+]Cc3cccn3C2)ccc1[N+](=O)[O-] ZINC001155459481 862110099 /nfs/dbraw/zinc/11/00/99/862110099.db2.gz SGQOCPFTZYBGDB-LLVKDONJSA-N 1 0 316.365 1.595 20 5 DDBDRO O=[N+]([O-])c1cnc(Cl)cc1N[C@H]1CCO[C@@]2(CC[NH2+]C2)C1 ZINC001155617647 862296382 /nfs/dbraw/zinc/29/63/82/862296382.db2.gz JOAADDFZJYOHJV-ZANVPECISA-N 1 0 312.757 1.966 20 5 DDBDRO O=C(NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cocn1 ZINC001155732048 862414000 /nfs/dbraw/zinc/41/40/00/862414000.db2.gz SEUCXQWMZHBGGG-UHFFFAOYSA-N 1 0 304.306 1.493 20 5 DDBDRO CSc1nc(Cl)nc(N(C)C2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001156175357 862777464 /nfs/dbraw/zinc/77/74/64/862777464.db2.gz DGFUVLLFKCPGGY-UHFFFAOYSA-N 1 0 317.802 1.948 20 5 DDBDRO Cc1ccnc(NCC(C)(C)N2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC001328473978 862995028 /nfs/dbraw/zinc/99/50/28/862995028.db2.gz ZBUNBSSLXDMFED-UHFFFAOYSA-N 1 0 307.398 1.736 20 5 DDBDRO CN(CC(=O)N1CC[C@H]2CC[C@@]21C[NH3+])c1ccccc1[N+](=O)[O-] ZINC001122411685 858797828 /nfs/dbraw/zinc/79/78/28/858797828.db2.gz QZIVJAOPRWWYTE-MLGOLLRUSA-N 1 0 318.377 1.371 20 5 DDBDRO COc1ccc(C(=O)NC[C@@H]2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC001122494614 858852749 /nfs/dbraw/zinc/85/27/49/858852749.db2.gz HQJHQYRNXWWYAD-LLVKDONJSA-N 1 0 307.350 1.723 20 5 DDBDRO CNc1ccc(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](C)C[C@H]23)cc1[N+](=O)[O-] ZINC001124109340 859583717 /nfs/dbraw/zinc/58/37/17/859583717.db2.gz MLWUUPLRAARESF-FRRDWIJNSA-N 1 0 318.377 1.707 20 5 DDBDRO CCc1ocnc1C(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001125108416 859894014 /nfs/dbraw/zinc/89/40/14/859894014.db2.gz AQDAKYIGQRJXBH-UHFFFAOYSA-N 1 0 318.333 1.665 20 5 DDBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccncc1F ZINC001125164872 859908894 /nfs/dbraw/zinc/90/88/94/859908894.db2.gz SPTNBMRSCKTEPA-UHFFFAOYSA-N 1 0 318.308 1.649 20 5 DDBDRO CC(C)(C)OC(=O)N1CC[C@@H](OCC[N+](C)(C)C)CC(=O)C1 ZINC001224771464 881526791 /nfs/dbraw/zinc/52/67/91/881526791.db2.gz MUWSLALWCCGHOS-CQSZACIVSA-N 1 0 315.434 1.678 20 5 DDBDRO Cc1cncc([N+](=O)[O-])c1NC(=O)N1CCC([NH2+]C(C)C)CC1 ZINC001203058863 860681581 /nfs/dbraw/zinc/68/15/81/860681581.db2.gz BBYPOILDGFAUGY-UHFFFAOYSA-N 1 0 321.381 1.714 20 5 DDBDRO CSc1nc(Cl)nc(-n2ccnc2CC[NH3+])c1[N+](=O)[O-] ZINC001156478700 863085173 /nfs/dbraw/zinc/08/51/73/863085173.db2.gz OMBFKMYQFZVKGK-UHFFFAOYSA-N 1 0 314.758 1.447 20 5 DDBDRO C[NH+](C)CCCCO[C@H]1CCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC001224991233 881627058 /nfs/dbraw/zinc/62/70/58/881627058.db2.gz PPIKYIGCRHOQRZ-AWEZNQCLSA-N 1 0 308.382 1.927 20 5 DDBDRO C[NH+](C)[C@@H](CNC(=O)c1c[nH]nc1[N+](=O)[O-])C1CCCCC1 ZINC001328693053 863151489 /nfs/dbraw/zinc/15/14/89/863151489.db2.gz DPBNECZVIYMIKH-LBPRGKRZSA-N 1 0 309.370 1.558 20 5 DDBDRO CC[N@@H+]1CCC[C@H](NC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)C1 ZINC001156572219 863158609 /nfs/dbraw/zinc/15/86/09/863158609.db2.gz AYIXBXCVNVUGSF-ZETCQYMHSA-N 1 0 301.734 1.185 20 5 DDBDRO COc1cc(Cc2noc([C@@H]3[NH2+]C[C@@H]4C[C@@H]43)n2)ccc1[N+](=O)[O-] ZINC001329237568 863554121 /nfs/dbraw/zinc/55/41/21/863554121.db2.gz VHKVMBLYLQCCBC-PKFCDNJMSA-N 1 0 316.317 1.858 20 5 DDBDRO CSc1nc(Cl)c([N+](=O)[O-])c(-n2ccnc2C(N)=[NH2+])n1 ZINC001157621692 863982124 /nfs/dbraw/zinc/98/21/24/863982124.db2.gz VSDBXQHQYDSXRL-UHFFFAOYSA-N 1 0 313.730 1.230 20 5 DDBDRO Cc1ccc(-c2ccc(N3C[C@@H]4C[NH2+][C@@H]4C3)nn2)cc1[N+](=O)[O-] ZINC001157622867 863986575 /nfs/dbraw/zinc/98/65/75/863986575.db2.gz FPEXKEUCRRHGQC-GXTWGEPZSA-N 1 0 311.345 1.768 20 5 DDBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N(CC[NH2+]C)C(C)(C)C ZINC001157830314 864175284 /nfs/dbraw/zinc/17/52/84/864175284.db2.gz PIGKRFLFWAQCLZ-UHFFFAOYSA-N 1 0 324.381 1.991 20 5 DDBDRO Cc1ccc([C@H](C)Nc2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)nc1 ZINC001158020079 864361415 /nfs/dbraw/zinc/36/14/15/864361415.db2.gz AAEMVFVETLABKQ-JTQLQIEISA-N 1 0 314.349 1.948 20 5 DDBDRO COc1cc2ncnc(N3C[C@@H](C)[NH2+][C@H](C)C3)c2cc1[N+](=O)[O-] ZINC001158177517 864471061 /nfs/dbraw/zinc/47/10/61/864471061.db2.gz UFQSSZBDXFDDNH-NXEZZACHSA-N 1 0 317.349 1.733 20 5 DDBDRO Cc1nn(CN2CCN(c3cc[nH+]cc3)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC001331051742 864806357 /nfs/dbraw/zinc/80/63/57/864806357.db2.gz UXWKGOMDVPYWFZ-LBPRGKRZSA-N 1 0 316.365 1.663 20 5 DDBDRO C[N@H+](C1CN(c2nccc(Cl)c2[N+](=O)[O-])C1)[C@H]1CCOC1 ZINC001158726824 864861714 /nfs/dbraw/zinc/86/17/14/864861714.db2.gz UDFUAOPTSRRWEJ-VIFPVBQESA-N 1 0 312.757 1.553 20 5 DDBDRO Cc1nc(Cl)nc(-n2nnc3ccc(C[NH3+])cc32)c1[N+](=O)[O-] ZINC001159026616 865052615 /nfs/dbraw/zinc/05/26/15/865052615.db2.gz MFLFYZAJSXBAPP-UHFFFAOYSA-N 1 0 319.712 1.539 20 5 DDBDRO [NH3+]Cc1ccc2nnn(-c3cnc4ccc([N+](=O)[O-])cc4n3)c2c1 ZINC001159026579 865052791 /nfs/dbraw/zinc/05/27/91/865052791.db2.gz KTYSTJZWTGJQDS-UHFFFAOYSA-N 1 0 321.300 1.731 20 5 DDBDRO CC(C)[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001159150960 865132849 /nfs/dbraw/zinc/13/28/49/865132849.db2.gz NBZVOABODBKXLB-NEPJUHHUSA-N 1 0 321.381 1.653 20 5 DDBDRO CC[C@@]([NH3+])(CO)Nc1ccc(-c2ccc([N+](=O)[O-])cc2)nn1 ZINC001159744592 865498097 /nfs/dbraw/zinc/49/80/97/865498097.db2.gz TXGYKUFKEQJXQN-AWEZNQCLSA-N 1 0 303.322 1.521 20 5 DDBDRO CC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2NC)CC[C@H]1[NH3+] ZINC001332211885 865669059 /nfs/dbraw/zinc/66/90/59/865669059.db2.gz UPJPIMWVPQRDRL-GXFFZTMASA-N 1 0 306.366 1.836 20 5 DDBDRO COc1nc(N2c3ccccc3OC[C@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC001160196811 865723273 /nfs/dbraw/zinc/72/32/73/865723273.db2.gz WXWVHKJREZZPKY-SNVBAGLBSA-N 1 0 316.317 1.856 20 5 DDBDRO [NH3+]C[C@]1(Nc2ncc([N+](=O)[O-])cc2Cl)CN2CCC1CC2 ZINC001160507855 865889141 /nfs/dbraw/zinc/88/91/41/865889141.db2.gz BXESLZVSYBSRNB-ZDUSSCGKSA-N 1 0 311.773 1.478 20 5 DDBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(NCC[C@H]2CCC[N@H+]2C)n1 ZINC001160968042 866227876 /nfs/dbraw/zinc/22/78/76/866227876.db2.gz GGWCCRUHAHUCBB-LLVKDONJSA-N 1 0 322.369 1.548 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[N@H+](C2CC2)C[C@H]1C ZINC001161493744 866710624 /nfs/dbraw/zinc/71/06/24/866710624.db2.gz HDTDJIHJANMAFS-LLVKDONJSA-N 1 0 321.381 1.185 20 5 DDBDRO [NH3+]C1(c2cccnc2)CCN(c2ncc([N+](=O)[O-])cc2F)CC1 ZINC001161584410 866786199 /nfs/dbraw/zinc/78/61/99/866786199.db2.gz YANXKMJKCLSLBV-UHFFFAOYSA-N 1 0 317.324 1.978 20 5 DDBDRO CNc1cc([N+](=O)[O-])cnc1NCCCN1CC[NH+](C)CC1 ZINC001161703311 866911770 /nfs/dbraw/zinc/91/17/70/866911770.db2.gz CLFSTWUQISZCTR-UHFFFAOYSA-N 1 0 308.386 1.081 20 5 DDBDRO CC(C)(C)c1cnc(N(CC[NH3+])S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC001162123977 867268024 /nfs/dbraw/zinc/26/80/24/867268024.db2.gz GELJQWYPQBQRAB-UHFFFAOYSA-N 1 0 316.383 1.012 20 5 DDBDRO C[NH+](C)[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])cnc2N)C1(C)C ZINC001162905187 867910840 /nfs/dbraw/zinc/91/08/40/867910840.db2.gz QIQYXLXZOMJYRT-WDEREUQCSA-N 1 0 307.354 1.031 20 5 DDBDRO [NH3+]CCCCNC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001325327891 867946362 /nfs/dbraw/zinc/94/63/62/867946362.db2.gz ZHRKHNHSLKSMQG-UHFFFAOYSA-N 1 0 321.381 1.165 20 5 DDBDRO O=[N+]([O-])c1cc(N[C@H]2COCCC23C[NH2+]C3)cc2cc[nH]c21 ZINC001163074093 868057353 /nfs/dbraw/zinc/05/73/53/868057353.db2.gz URTHSHRISPAYAJ-ZDUSSCGKSA-N 1 0 302.334 1.867 20 5 DDBDRO O=C1C[C@@H]2[NH2+]CC[C@]2(Nc2cc3cc[nH]c3c([N+](=O)[O-])c2)N1 ZINC001163248276 868256965 /nfs/dbraw/zinc/25/69/65/868256965.db2.gz GMCXHMZJVHCNCM-FZMZJTMJSA-N 1 0 301.306 1.066 20 5 DDBDRO COc1cccc([C@@H](C[NH3+])Nc2cc([N+](=O)[O-])cc[n+]2[O-])c1 ZINC001163303633 868327055 /nfs/dbraw/zinc/32/70/55/868327055.db2.gz OVEOYYRTORAMMU-CYBMUJFWSA-N 1 0 304.306 1.349 20 5 DDBDRO O=[N+]([O-])c1cnc(N[C@H]2C[NH2+][C@@H]3CCO[C@@H]32)c(C(F)(F)F)c1 ZINC001163342414 868373282 /nfs/dbraw/zinc/37/32/82/868373282.db2.gz MJOSTXHTWRYBTB-UTLUCORTSA-N 1 0 318.255 1.550 20 5 DDBDRO COC(=O)c1ncc([N+](=O)[O-])cc1N[C@H]1C[NH+]2CCC1CC2 ZINC001163394026 868414604 /nfs/dbraw/zinc/41/46/04/868414604.db2.gz ADQCHUMADGJOOJ-LBPRGKRZSA-N 1 0 306.322 1.283 20 5 DDBDRO COc1nc(SC)nc(-n2nc(C[NH3+])cc2C)c1[N+](=O)[O-] ZINC001163980541 868843777 /nfs/dbraw/zinc/84/37/77/868843777.db2.gz YLRUOGLIXBUJOI-UHFFFAOYSA-N 1 0 310.339 1.068 20 5 DDBDRO Cn1cc([N+](=O)[O-])c(N2CC[NH2+][C@H](c3ccc(O)cc3)C2)n1 ZINC001164039750 868908412 /nfs/dbraw/zinc/90/84/12/868908412.db2.gz XBLKOCSEQOSHQT-LBPRGKRZSA-N 1 0 303.322 1.185 20 5 DDBDRO COC(=O)c1ccnc(N2C[C@H](C)CC[C@H]2C[NH3+])c1[N+](=O)[O-] ZINC001164073536 868925760 /nfs/dbraw/zinc/92/57/60/868925760.db2.gz LUYXYAVVBJYANO-ZJUUUORDSA-N 1 0 308.338 1.340 20 5 DDBDRO C[C@H](CNC(=O)NCC1=CC[NH2+]CC1)c1ccccc1[N+](=O)[O-] ZINC001336896484 869205398 /nfs/dbraw/zinc/20/53/98/869205398.db2.gz KZYYXGDOGNWSNU-GFCCVEGCSA-N 1 0 318.377 1.917 20 5 DDBDRO Nc1cc([N+](=O)[O-])cnc1N1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001164613636 869329237 /nfs/dbraw/zinc/32/92/37/869329237.db2.gz ZYMNNFYBAFNSNX-ZDUSSCGKSA-N 1 0 313.361 1.593 20 5 DDBDRO Nc1cc([N+](=O)[O-])cnc1N1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001165324651 869516735 /nfs/dbraw/zinc/51/67/35/869516735.db2.gz ZQWYORQZBHMAHM-AWEZNQCLSA-N 1 0 305.382 1.931 20 5 DDBDRO COc1nc(N2CCCCC23CC[NH2+]CC3)ncc1[N+](=O)[O-] ZINC001165337184 869524757 /nfs/dbraw/zinc/52/47/57/869524757.db2.gz IZAPRJFCQRINAL-UHFFFAOYSA-N 1 0 307.354 1.506 20 5 DDBDRO [NH3+]C1([C@@H]2CN(c3nc(Cl)ncc3[N+](=O)[O-])C[C@@H]2CF)CC1 ZINC001165426374 869590269 /nfs/dbraw/zinc/59/02/69/869590269.db2.gz BSRZKHMECLDGLX-JGVFFNPUSA-N 1 0 315.736 1.551 20 5 DDBDRO C[N@@H+]1C[C@@H]2CC[C@H](Nc3ccc4nonc4c3[N+](=O)[O-])[C@@H]2C1 ZINC001338298783 869909912 /nfs/dbraw/zinc/90/99/12/869909912.db2.gz WFESJUUPYXEGOR-AEJSXWLSSA-N 1 0 303.322 1.883 20 5 DDBDRO C[NH+](C)[C@@H]1C[C@H](NC[C@H](O)c2cccc([N+](=O)[O-])c2)C1(C)C ZINC001338553538 870042614 /nfs/dbraw/zinc/04/26/14/870042614.db2.gz XUEVENUQZRSYCN-SOUVJXGZSA-N 1 0 307.394 1.947 20 5 DDBDRO C[NH2+][C@H]1CCN(C(=O)NC[C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC001338754167 870150879 /nfs/dbraw/zinc/15/08/79/870150879.db2.gz HTVXRLSHQJYTMX-NEPJUHHUSA-N 1 0 306.366 1.702 20 5 DDBDRO COc1cc(-n2ccc([C@H]3CCC[NH2+]3)nc2=N)ncc1[N+](=O)[O-] ZINC001166700241 870168109 /nfs/dbraw/zinc/16/81/09/870168109.db2.gz DAGRSLKXZDEIJZ-SECBINFHSA-N 1 0 316.321 1.088 20 5 DDBDRO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N(C)CC[N@H+](C)CCO ZINC001301548340 871000753 /nfs/dbraw/zinc/00/07/53/871000753.db2.gz SLDBTNFWVOEGIV-UHFFFAOYSA-N 1 0 313.329 1.038 20 5 DDBDRO O=C(N[C@@H]1CC12CC[NH2+]CC2)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001340298952 871017834 /nfs/dbraw/zinc/01/78/34/871017834.db2.gz JGWBLNOEUSPESK-RBSFLKMASA-N 1 0 315.373 1.957 20 5 DDBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)[C@@H]3C[C@@H]3F)c2)CC1 ZINC001340880123 871407453 /nfs/dbraw/zinc/40/74/53/871407453.db2.gz DHFLEJQMWDNEQQ-NEPJUHHUSA-N 1 0 322.340 1.643 20 5 DDBDRO CC(C)CCC[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001205223785 871440299 /nfs/dbraw/zinc/44/02/99/871440299.db2.gz HTQCXAIADCFXJE-HUUCEWRRSA-N 1 0 311.426 1.916 20 5 DDBDRO COC[C@]1(C(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)CC[NH2+]C1 ZINC001341110875 871508516 /nfs/dbraw/zinc/50/85/16/871508516.db2.gz ZORYIXBBUSLJQP-ABAIWWIYSA-N 1 0 307.350 1.398 20 5 DDBDRO C[C@H]1CN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])CC[C@@H]1C[NH3+] ZINC001341251092 871578006 /nfs/dbraw/zinc/57/80/06/871578006.db2.gz QRBQUGSKLFTJFA-QWHCGFSZSA-N 1 0 320.393 1.474 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC001341372052 871627487 /nfs/dbraw/zinc/62/74/87/871627487.db2.gz GAZFCKBHTJRHRL-MBNYWOFBSA-N 1 0 305.334 1.075 20 5 DDBDRO O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001342771840 872377948 /nfs/dbraw/zinc/37/79/48/872377948.db2.gz MENZVUHOCXEPBA-WDEREUQCSA-N 1 0 309.753 1.930 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001342844649 872409311 /nfs/dbraw/zinc/40/93/11/872409311.db2.gz NZWFBGOLAVCFMI-OAHLLOKOSA-N 1 0 321.381 1.234 20 5 DDBDRO Cn1c2ccccc2c(NCC[N@H+](C)C2CC2)c([N+](=O)[O-])c1=O ZINC001342847171 872411940 /nfs/dbraw/zinc/41/19/40/872411940.db2.gz JHIGGHMFEHKLIE-UHFFFAOYSA-N 1 0 316.361 1.953 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CCC[C@@]12CC[NH2+]C2 ZINC001343031523 872474241 /nfs/dbraw/zinc/47/42/41/872474241.db2.gz HDPLVMNGMMSUKK-HNNXBMFYSA-N 1 0 323.324 1.467 20 5 DDBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1C[C@@H](CO)C1 ZINC001207140838 873059743 /nfs/dbraw/zinc/05/97/43/873059743.db2.gz BYGRVTXPWPVYPC-WZRBSPASSA-N 1 0 307.350 1.672 20 5 DDBDRO C[C@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)[C@@H]1C[N@H+](C)CCN1C ZINC001345719708 873488366 /nfs/dbraw/zinc/48/83/66/873488366.db2.gz PHZLXQIRIZAJEB-FZMZJTMJSA-N 1 0 321.381 1.351 20 5 DDBDRO CN1CC[C@@H](C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1=O ZINC001346136371 873620314 /nfs/dbraw/zinc/62/03/14/873620314.db2.gz JZWKZQDLVJTSJK-RISCZKNCSA-N 1 0 307.350 1.086 20 5 DDBDRO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC001350089623 875530173 /nfs/dbraw/zinc/53/01/73/875530173.db2.gz VSHCNEHRKXSEJC-AEGPPILISA-N 1 0 303.362 1.594 20 5 DDBDRO Cc1cc(NC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)cc([N+](=O)[O-])c1 ZINC001350262651 875602356 /nfs/dbraw/zinc/60/23/56/875602356.db2.gz QFXRDZHYHUEINF-UONOGXRCSA-N 1 0 320.349 1.186 20 5 DDBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@H](O)CC1(CO)CCCC1 ZINC001353245060 877210794 /nfs/dbraw/zinc/21/07/94/877210794.db2.gz CCFNZZOKZMIRQJ-CQSZACIVSA-N 1 0 308.378 1.988 20 5 DDBDRO C[N@@H+]1CCCC[C@H]1CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC001353890948 877633489 /nfs/dbraw/zinc/63/34/89/877633489.db2.gz AUHQEYQEAUPPBR-NSHDSACASA-N 1 0 309.370 1.127 20 5 DDBDRO Nc1cc2nc3ccccc3nc2cc1NC(=O)[C@H]1[NH2+]CC[C@H]1O ZINC001218860270 877772937 /nfs/dbraw/zinc/77/29/37/877772937.db2.gz VWTYJIRCGRVISR-CVEARBPZSA-N 1 0 323.356 1.027 20 5 DDBDRO C[C@@H]1C[NH2+]C[C@H]1CNC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001358070157 880313445 /nfs/dbraw/zinc/31/34/45/880313445.db2.gz HTGSPMOEDLXQQV-BQPHKTIFSA-N 1 0 303.362 1.670 20 5 DDBDRO [NH3+]C[C@@]12CC[C@@H]1CCCN2C(=O)Cc1ccccc1[N+](=O)[O-] ZINC001358393805 880420199 /nfs/dbraw/zinc/42/01/99/880420199.db2.gz LEJZHFFQKDLYKY-BBRMVZONSA-N 1 0 303.362 1.867 20 5 DDBDRO COC(=O)c1cccc([N+](=O)[O-])c1CO[C@@H]1CCC[N@H+](C)C1 ZINC001222772313 880692347 /nfs/dbraw/zinc/69/23/47/880692347.db2.gz ALTRDJSUZIZNOL-LLVKDONJSA-N 1 0 308.334 1.992 20 5 DDBDRO COC(=O)[C@H](O[C@@H]1C[NH+]2CCC1CC2)c1ccccc1[N+](=O)[O-] ZINC001223645068 881040710 /nfs/dbraw/zinc/04/07/10/881040710.db2.gz ZLNSTIKYMUMGGI-HUUCEWRRSA-N 1 0 320.345 1.920 20 5 DDBDRO CCOC(=O)c1ncn2ccc(O[C@H](C)C[N+](C)(C)C)nc12 ZINC001231390925 885592784 /nfs/dbraw/zinc/59/27/84/885592784.db2.gz OGJSBJRJVGSMDM-LLVKDONJSA-N 1 0 307.374 1.380 20 5 DDBDRO CC[NH+](CC)C[C@H](C)Oc1ncc(C(=O)OC)cc1[N+](=O)[O-] ZINC001233859514 887398558 /nfs/dbraw/zinc/39/85/58/887398558.db2.gz OKFGUBQDHZXREX-JTQLQIEISA-N 1 0 311.338 1.886 20 5 DDBDRO COc1ccc(C[C@@H](C)N[C@H]2C[NH2+]CC23CC3)c([N+](=O)[O-])c1 ZINC001246136296 892433614 /nfs/dbraw/zinc/43/36/14/892433614.db2.gz WGQKOCHSBURVSX-ABAIWWIYSA-N 1 0 305.378 1.876 20 5 DDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCNC[C@@]12CC[NH2+]C2 ZINC001246631625 892753422 /nfs/dbraw/zinc/75/34/22/892753422.db2.gz RTGQVJFLFUBEHC-CJNGLKHVSA-N 1 0 304.394 1.163 20 5 DDBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@H]2C[C@H]3C[NH2+]C[C@H]3C2)n1 ZINC001247918956 893476786 /nfs/dbraw/zinc/47/67/86/893476786.db2.gz VMKDSIASTWDZGP-PSVAKVPMSA-N 1 0 319.296 1.892 20 5 DDBDRO CC(=O)N1CC([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254469467 896455874 /nfs/dbraw/zinc/45/58/74/896455874.db2.gz QCFCWKUGNLJNMT-UHFFFAOYSA-N 1 0 318.377 1.384 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC([N@H+]3CC[C@H](F)[C@@H](O)C3)CC2)cc1 ZINC001254476030 896455998 /nfs/dbraw/zinc/45/59/98/896455998.db2.gz JRDYLFDMQZAHSL-HOTGVXAUSA-N 1 0 323.368 1.968 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]3COC[C@@H]3F)CC2)cc1 ZINC001254472994 896456597 /nfs/dbraw/zinc/45/65/97/896456597.db2.gz YVZIIDOYWCGBCH-GJZGRUSLSA-N 1 0 309.341 1.890 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCOCCOCCO ZINC001254537698 896494178 /nfs/dbraw/zinc/49/41/78/896494178.db2.gz GOEDGHQLHKSHQB-CYBMUJFWSA-N 1 0 312.366 1.141 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]C1CCN(C3COC3)CC1)C2 ZINC001254577741 896510790 /nfs/dbraw/zinc/51/07/90/896510790.db2.gz GSQHBKKXUPMBOO-HNNXBMFYSA-N 1 0 317.389 1.515 20 5 DDBDRO O=C(C[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)NC1CCCC1 ZINC001254581801 896513290 /nfs/dbraw/zinc/51/32/90/896513290.db2.gz MYDYBHSDKBSCQX-AWEZNQCLSA-N 1 0 303.362 1.710 20 5 DDBDRO NC(=O)C1([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCCCC1 ZINC001254584165 896515579 /nfs/dbraw/zinc/51/55/79/896515579.db2.gz QTEXDLXMAJXXAL-CYBMUJFWSA-N 1 0 303.362 1.840 20 5 DDBDRO COCC1([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCOCC1 ZINC001254585201 896516252 /nfs/dbraw/zinc/51/62/52/896516252.db2.gz LNGSGZKIKDQQHU-AWEZNQCLSA-N 1 0 306.362 1.847 20 5 DDBDRO O=C1NC[C@@]2(CCC[N@@H+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)O1 ZINC001254603447 896527547 /nfs/dbraw/zinc/52/75/47/896527547.db2.gz NGPTYYNHPHAOIR-GDBMZVCRSA-N 1 0 317.345 1.636 20 5 DDBDRO CC[N@H+](CCN1CCOCC1)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254604291 896527870 /nfs/dbraw/zinc/52/78/70/896527870.db2.gz UTASZJAONNSAEZ-KRWDZBQOSA-N 1 0 319.405 1.716 20 5 DDBDRO CC[C@@H](CO)[NH2+]C1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC001256082904 897277189 /nfs/dbraw/zinc/27/71/89/897277189.db2.gz NAJNZBNIQZMFFI-LBPRGKRZSA-N 1 0 323.393 1.933 20 5 DDBDRO CS(=O)(=O)c1ccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)o1 ZINC001261367195 899518352 /nfs/dbraw/zinc/51/83/52/899518352.db2.gz WCONRAMYSACYMG-UHFFFAOYSA-N 1 0 324.358 1.924 20 5 DDBDRO C[NH+](C)CCCS(=O)(=O)Oc1cc([N+](=O)[O-])ccc1Cl ZINC001261854784 899790797 /nfs/dbraw/zinc/79/07/97/899790797.db2.gz VYWYVHPZSUASCG-UHFFFAOYSA-N 1 0 322.770 1.909 20 5 DDBDRO CCN(C(=O)CCOc1ccccc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC001262047130 899913668 /nfs/dbraw/zinc/91/36/68/899913668.db2.gz IMZATCQYZGNPMF-GFCCVEGCSA-N 1 0 307.350 1.574 20 5 DDBDRO C[NH+](C)C[C@H](CO)Nc1c2cccc(Cl)c2ncc1[N+](=O)[O-] ZINC001262365733 900132838 /nfs/dbraw/zinc/13/28/38/900132838.db2.gz KQKJZRZIFJOCIF-SECBINFHSA-N 1 0 324.768 1.553 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)C12CCC(CC1)[NH2+]2 ZINC001263076650 900484398 /nfs/dbraw/zinc/48/43/98/900484398.db2.gz FXXZRLXTURHJTC-UHFFFAOYSA-N 1 0 305.334 1.504 20 5 DDBDRO O=C([C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001263083930 900487387 /nfs/dbraw/zinc/48/73/87/900487387.db2.gz DXSNQOKVPQOIHF-NWANDNLSSA-N 1 0 301.346 1.620 20 5 DDBDRO C[C@H](CNC(=O)[C@]12C[NH2+]C[C@H]1COC2)c1ccccc1[N+](=O)[O-] ZINC001263236497 900544332 /nfs/dbraw/zinc/54/43/32/900544332.db2.gz ODOGHCJAGDXYBS-WQGACYEGSA-N 1 0 319.361 1.051 20 5 DDBDRO CC[C@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000248636972 282094927 /nfs/dbraw/zinc/09/49/27/282094927.db2.gz YFVLIOWJJYFLHD-VNHYZAJKSA-N 1 0 324.377 1.882 20 5 DDBDRO C[C@H](CNC(=O)Cn1cc([N+](=O)[O-])cn1)[N@@H+]1CCC[C@H](C)C1 ZINC000248780735 282108233 /nfs/dbraw/zinc/10/82/33/282108233.db2.gz WKGPRRHWSMEWIA-NWDGAFQWSA-N 1 0 309.370 1.028 20 5 DDBDRO O=C(NC[C@H]1C[NH2+]CCCO1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000449710184 230636417 /nfs/dbraw/zinc/63/64/17/230636417.db2.gz LYAIGHBJYZLKOB-GFCCVEGCSA-N 1 0 319.317 1.449 20 5 DDBDRO C[C@H]([NH2+]CC(=O)N1CCN(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000451106851 231010610 /nfs/dbraw/zinc/01/06/10/231010610.db2.gz PRILNPPGESRPOM-LBPRGKRZSA-N 1 0 306.366 1.019 20 5 DDBDRO C[C@H](O)[C@@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000305816305 231064812 /nfs/dbraw/zinc/06/48/12/231064812.db2.gz ADQQDBQSJZQXCX-NWDGAFQWSA-N 1 0 307.350 1.626 20 5 DDBDRO COC[C@@]1(CO)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000451925287 231235996 /nfs/dbraw/zinc/23/59/96/231235996.db2.gz GCWKSPBCOGYDRP-HNNXBMFYSA-N 1 0 310.350 1.434 20 5 DDBDRO CCc1n[nH]c(C(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000444272739 529465084 /nfs/dbraw/zinc/46/50/84/529465084.db2.gz YXKIKJUWEHJHEG-JTQLQIEISA-N 1 0 307.354 1.189 20 5 DDBDRO CC[C@@H](CNS(C)(=O)=O)[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000295011365 529493862 /nfs/dbraw/zinc/49/38/62/529493862.db2.gz JLWUZQXYMLDXGF-LBPRGKRZSA-N 1 0 315.395 1.321 20 5 DDBDRO CN(CCCC[NH+](C)C)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000615322805 362252607 /nfs/dbraw/zinc/25/26/07/362252607.db2.gz YRFFOALMIFTIAM-UHFFFAOYSA-N 1 0 322.365 1.334 20 5 DDBDRO C[NH2+]CCCN(C)C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000424036148 529964390 /nfs/dbraw/zinc/96/43/90/529964390.db2.gz UAJQYAUAKYDOBS-UHFFFAOYSA-N 1 0 317.349 1.462 20 5 DDBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]Cc1ccn(C)n1 ZINC000358272056 299111755 /nfs/dbraw/zinc/11/17/55/299111755.db2.gz ZAHQUCSCTOCPFR-LLVKDONJSA-N 1 0 317.349 1.835 20 5 DDBDRO O=[N+]([O-])c1ccc(CN2CCC(CO)([NH2+]CC3CC3)CC2)cc1 ZINC000564215234 303990540 /nfs/dbraw/zinc/99/05/40/303990540.db2.gz LFKZZPWDXQFEGA-UHFFFAOYSA-N 1 0 319.405 1.921 20 5 DDBDRO Cc1ccc(S(=O)(=O)N[C@H](C)C[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000319987246 290819041 /nfs/dbraw/zinc/81/90/41/290819041.db2.gz GJPWSKWIPLTLEP-VHSXEESVSA-N 1 0 301.368 1.307 20 5 DDBDRO C[C@H]([NH3+])C[C@H](C)Nc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000320314219 290819384 /nfs/dbraw/zinc/81/93/84/290819384.db2.gz KGAGXQLINUQDQH-IUCAKERBSA-N 1 0 301.368 1.536 20 5 DDBDRO Cc1ccc([C@H](C)[NH2+]CCN2C(=O)N[C@H](C)C2=O)cc1[N+](=O)[O-] ZINC000459388731 233154091 /nfs/dbraw/zinc/15/40/91/233154091.db2.gz PFINXEZRLVIDKS-WDEREUQCSA-N 1 0 320.349 1.494 20 5 DDBDRO COCC[NH2+]CCNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000152473836 186077629 /nfs/dbraw/zinc/07/76/29/186077629.db2.gz BNDCJODTHPZQPO-UHFFFAOYSA-N 1 0 315.757 1.143 20 5 DDBDRO Cc1ccnc(NCCC[N@@H+]2CCC[C@H]2C(N)=O)c1[N+](=O)[O-] ZINC000265146244 186340254 /nfs/dbraw/zinc/34/02/54/186340254.db2.gz ABOSTBCAKNVYCO-NSHDSACASA-N 1 0 307.354 1.050 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@H]2CCCC(F)(F)C2)c1 ZINC000564868880 304021342 /nfs/dbraw/zinc/02/13/42/304021342.db2.gz JZLGUVKXDMDDIK-JQWIXIFHSA-N 1 0 318.324 1.567 20 5 DDBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000032662936 352283279 /nfs/dbraw/zinc/28/32/79/352283279.db2.gz YUODANDHBYMBSQ-LLVKDONJSA-N 1 0 306.366 1.781 20 5 DDBDRO COCC[N@H+](C)CCNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000491576002 234207152 /nfs/dbraw/zinc/20/71/52/234207152.db2.gz LFQCMKMOISSGNY-YVMONPNESA-N 1 0 307.350 1.302 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)c1 ZINC000173592906 198230497 /nfs/dbraw/zinc/23/04/97/198230497.db2.gz HYJUFLKPXZTIMD-ZDUSSCGKSA-N 1 0 320.393 1.269 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCCC[C@H]1C[NH+](C)C ZINC000068468550 353113910 /nfs/dbraw/zinc/11/39/10/353113910.db2.gz ZLQSXHUMSYQMMV-LBPRGKRZSA-N 1 0 309.370 1.042 20 5 DDBDRO CN(CC1CC[NH+](C)CC1)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000173532236 198224660 /nfs/dbraw/zinc/22/46/60/198224660.db2.gz WIICDSRLGOIDKA-UHFFFAOYSA-N 1 0 305.378 1.938 20 5 DDBDRO CC(C)[N@@H+]1CCCN(C(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000068800102 353131491 /nfs/dbraw/zinc/13/14/91/353131491.db2.gz VCTSFLLQJXTGHQ-UHFFFAOYSA-N 1 0 321.377 1.916 20 5 DDBDRO COc1ccc(CC(=O)NC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000069369840 353158797 /nfs/dbraw/zinc/15/87/97/353158797.db2.gz RELKFSYQVSQAEM-UHFFFAOYSA-N 1 0 307.350 1.356 20 5 DDBDRO CCCc1n[nH]c(C(=O)N2CC[C@@H](C[N@H+](C)CC)C2)c1[N+](=O)[O-] ZINC000174471263 198338297 /nfs/dbraw/zinc/33/82/97/198338297.db2.gz CPYBYWFRSUECHU-NSHDSACASA-N 1 0 323.397 1.684 20 5 DDBDRO CC[C@@H](CO)[NH+]1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000075962636 353387636 /nfs/dbraw/zinc/38/76/36/353387636.db2.gz LFDNMNVEHLJOOL-AWEZNQCLSA-N 1 0 323.393 1.362 20 5 DDBDRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)[C@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000084259679 353719075 /nfs/dbraw/zinc/71/90/75/353719075.db2.gz CBXNSHIHRSKCQV-JKSUJKDBSA-N 1 0 317.389 1.775 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(N(C)CCC[NH+]2CCN(C)CC2)c1 ZINC000088722097 353757718 /nfs/dbraw/zinc/75/77/18/353757718.db2.gz RBRXBCMKMKGATD-UHFFFAOYSA-N 1 0 306.410 1.977 20 5 DDBDRO Cc1nn(CCC(=O)N2CC[C@@H]([NH3+])C[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000237591906 354344013 /nfs/dbraw/zinc/34/40/13/354344013.db2.gz XXNPOHHBURCGFE-JOYOIKCWSA-N 1 0 309.370 1.136 20 5 DDBDRO C[N@H+](C[C@H](O)Cn1cc(Br)c([N+](=O)[O-])n1)C1CC1 ZINC000290864247 354445117 /nfs/dbraw/zinc/44/51/17/354445117.db2.gz YXEQSFCKIZFFQK-QMMMGPOBSA-N 1 0 319.159 1.009 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@@H](C)C[C@@H](C)[NH3+])c1C ZINC000320749366 354529104 /nfs/dbraw/zinc/52/91/04/354529104.db2.gz VULVMSUSFONYFG-ZJUUUORDSA-N 1 0 315.395 1.616 20 5 DDBDRO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)Cc1ccccc1[N+](=O)[O-])C2 ZINC000319376219 354520917 /nfs/dbraw/zinc/52/09/17/354520917.db2.gz YXGPCAYMWCRPMZ-BBRMVZONSA-N 1 0 303.362 1.725 20 5 DDBDRO COCC[N@H+](C)C[C@H](O)COc1cc(C)c([N+](=O)[O-])cc1F ZINC000319560818 354522316 /nfs/dbraw/zinc/52/23/16/354522316.db2.gz PEGUEGSAJUBZRW-NSHDSACASA-N 1 0 316.329 1.360 20 5 DDBDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C[C@@H](C)C1 ZINC000346216134 283032756 /nfs/dbraw/zinc/03/27/56/283032756.db2.gz IAARIYJUMISKAV-WDMOLILDSA-N 1 0 306.366 1.725 20 5 DDBDRO O=[N+]([O-])c1cc(Cl)ccc1CN1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000405259991 354678053 /nfs/dbraw/zinc/67/80/53/354678053.db2.gz IKLAMLNJRUNUAM-QWHCGFSZSA-N 1 0 311.769 1.499 20 5 DDBDRO CCO[C@@H]1CN(C(=O)c2c(C)cccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000405347748 354678794 /nfs/dbraw/zinc/67/87/94/354678794.db2.gz RJVLSGOCPMFHNP-DGCLKSJQSA-N 1 0 307.350 1.339 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CCN(c3cc(N)c([N+](=O)[O-])c(CO)c3)[C@H]2C1 ZINC000585779648 354839684 /nfs/dbraw/zinc/83/96/84/354839684.db2.gz HPHVDOBKSKGTAJ-YGRLFVJLSA-N 1 0 306.366 1.200 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@]1(C)CCO[C@@H]1C ZINC000494226098 235008874 /nfs/dbraw/zinc/00/88/74/235008874.db2.gz FOVWWFZEIGOMDJ-IAQYHMDHSA-N 1 0 307.350 1.999 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H](C)Cn2cccn2)c1 ZINC000589504223 354997896 /nfs/dbraw/zinc/99/78/96/354997896.db2.gz SRQWJEIWCYZEGC-NSHDSACASA-N 1 0 318.333 1.756 20 5 DDBDRO CCc1nn(C)c(N2CC[C@@]3(C2)CCC[N@H+](C)C3)c1[N+](=O)[O-] ZINC000590141911 355053064 /nfs/dbraw/zinc/05/30/64/355053064.db2.gz JDIWNYZSVIIZLW-HNNXBMFYSA-N 1 0 307.398 1.813 20 5 DDBDRO Cc1c(CC(=O)N2CC[C@@H]([NH+](C)C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000590403158 355085769 /nfs/dbraw/zinc/08/57/69/355085769.db2.gz IKUWSOQBYLQNRC-IUODEOHRSA-N 1 0 305.378 1.997 20 5 DDBDRO COc1ccc(C(=O)N2CC[C@@H]3C[N@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000590442358 355096512 /nfs/dbraw/zinc/09/65/12/355096512.db2.gz FNKLKDCVNYVVSW-DGCLKSJQSA-N 1 0 305.334 1.380 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@@H](CCCO)C2)c1 ZINC000590663818 355139828 /nfs/dbraw/zinc/13/98/28/355139828.db2.gz PRAROIVFINRYHH-GFCCVEGCSA-N 1 0 322.361 1.976 20 5 DDBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@@H](O)[C@H]2C)c([N+](=O)[O-])c1 ZINC000591039604 355237431 /nfs/dbraw/zinc/23/74/31/355237431.db2.gz MLCUENHTSQEZCS-QMTHXVAHSA-N 1 0 323.349 1.387 20 5 DDBDRO O=[N+]([O-])c1cnc(N2CCC[N@H+](C[C@H]3CCCO3)CC2)c(F)c1 ZINC000591138796 355252958 /nfs/dbraw/zinc/25/29/58/355252958.db2.gz VLYGFVQSXJYMBI-CYBMUJFWSA-N 1 0 324.356 1.820 20 5 DDBDRO CN(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C[C@@H]1CCC[N@@H+]1C ZINC000591505419 355322229 /nfs/dbraw/zinc/32/22/29/355322229.db2.gz JOFGMUYSXOJDRH-ZDUSSCGKSA-N 1 0 321.377 1.892 20 5 DDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000591669568 355357713 /nfs/dbraw/zinc/35/77/13/355357713.db2.gz ZECXHMHUBNHOSU-LLVKDONJSA-N 1 0 313.304 1.798 20 5 DDBDRO CC1(C)C[NH2+]CCN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000591678370 355360363 /nfs/dbraw/zinc/36/03/63/355360363.db2.gz RHJTXVSVBAJCHO-UHFFFAOYSA-N 1 0 307.350 1.574 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000591681407 355361072 /nfs/dbraw/zinc/36/10/72/355361072.db2.gz QZHOOZQAQOIIIK-UHFFFAOYSA-N 1 0 301.306 1.226 20 5 DDBDRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1c1ccc(F)cc1[N+](=O)[O-] ZINC000591982784 355453053 /nfs/dbraw/zinc/45/30/53/355453053.db2.gz RHPVMHKMZOLWSC-SNVBAGLBSA-N 1 0 310.329 1.290 20 5 DDBDRO CC[C@@H]1CN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC[C@@H]1[NH3+] ZINC000592330548 355560608 /nfs/dbraw/zinc/56/06/08/355560608.db2.gz BZQYOKKRKFFVJL-SKDRFNHKSA-N 1 0 317.349 1.671 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@H]2CC[C@@H](O)C2)c1 ZINC000592431295 355581678 /nfs/dbraw/zinc/58/16/78/355581678.db2.gz BBCLDBHNVLIECF-IACUBPJLSA-N 1 0 310.350 1.085 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)c1 ZINC000592520416 355611181 /nfs/dbraw/zinc/61/11/81/355611181.db2.gz MOHQFHCVSMFXPP-DOMZBBRYSA-N 1 0 320.345 1.992 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1CN1CN(CC[NH+](C)C)C(=O)[C@@H]1C ZINC000592524521 355611814 /nfs/dbraw/zinc/61/18/14/355611814.db2.gz YGUYREBACCKMKQ-ZDUSSCGKSA-N 1 0 320.393 1.455 20 5 DDBDRO CC(C)[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000592380273 355571353 /nfs/dbraw/zinc/57/13/53/355571353.db2.gz QABMKFGBLWXIPX-CYBMUJFWSA-N 1 0 313.379 1.213 20 5 DDBDRO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592555264 355627337 /nfs/dbraw/zinc/62/73/37/355627337.db2.gz SSNSHZXMNXQEEY-VXGBXAGGSA-N 1 0 306.366 1.775 20 5 DDBDRO CC(C)O[C@@H]1CCC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000593055560 355781482 /nfs/dbraw/zinc/78/14/82/355781482.db2.gz LQBZPPXGOBDPGM-ZIAGYGMSSA-N 1 0 312.370 1.042 20 5 DDBDRO CC[C@H]1COC(C)(C)C[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000593056741 355782972 /nfs/dbraw/zinc/78/29/72/355782972.db2.gz OLCVDUASFLFFDJ-WCQYABFASA-N 1 0 312.370 1.042 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCC3(CC3(F)F)CC2)c1 ZINC000593077850 355788190 /nfs/dbraw/zinc/78/81/90/355788190.db2.gz UOTPHCZTZAYQJF-LLVKDONJSA-N 1 0 316.308 1.273 20 5 DDBDRO O=[N+]([O-])c1cccc2c(N3CC([N@@H+]4CC[C@@H](O)C4)C3)ccnc21 ZINC000593502475 355905703 /nfs/dbraw/zinc/90/57/03/355905703.db2.gz DIMZHIMFESLDNO-GFCCVEGCSA-N 1 0 314.345 1.398 20 5 DDBDRO Cc1nn(CCC(=O)NCCC2CC[NH2+]CC2)c(C)c1[N+](=O)[O-] ZINC000593919621 356061854 /nfs/dbraw/zinc/06/18/54/356061854.db2.gz VMWXSOSWSCKLFM-UHFFFAOYSA-N 1 0 323.397 1.304 20 5 DDBDRO Cn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)n1 ZINC000594198976 356138521 /nfs/dbraw/zinc/13/85/21/356138521.db2.gz WXAPPBXZEBOZSJ-GHMZBOCLSA-N 1 0 307.354 1.075 20 5 DDBDRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)NCc2ccccc2[N+](=O)[O-])C1 ZINC000594213366 356141102 /nfs/dbraw/zinc/14/11/02/356141102.db2.gz GLNWPGSKZFVCTH-BJHJDKERSA-N 1 0 306.366 1.734 20 5 DDBDRO CCc1ccc(C(=O)N[C@H](C[NH3+])C(F)(F)F)cc1[N+](=O)[O-] ZINC000594450672 356221829 /nfs/dbraw/zinc/22/18/29/356221829.db2.gz NCERQYFPIXSLSX-SNVBAGLBSA-N 1 0 305.256 1.777 20 5 DDBDRO C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000594474718 356229422 /nfs/dbraw/zinc/22/94/22/356229422.db2.gz NGERYJJNHGMCMO-KLPPZKSPSA-N 1 0 313.379 1.213 20 5 DDBDRO O=[N+]([O-])c1ccccc1CC[NH2+]C1CCN([C@H]2CCOC2)CC1 ZINC000594496595 356237710 /nfs/dbraw/zinc/23/77/10/356237710.db2.gz PDUBKMGDSPZHMV-INIZCTEOSA-N 1 0 319.405 1.980 20 5 DDBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@@]1(OCCO)CCOC1 ZINC000595072222 356378528 /nfs/dbraw/zinc/37/85/28/356378528.db2.gz QSSVQFHMZUQXEW-ZBFHGGJFSA-N 1 0 322.361 1.340 20 5 DDBDRO CC[C@H]([NH2+]C[C@]1(OCCO)CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000595077359 356378838 /nfs/dbraw/zinc/37/88/38/356378838.db2.gz HHTNEFFLQFGPPA-JKSUJKDBSA-N 1 0 324.377 1.804 20 5 DDBDRO C[NH2+]C[C@H](C)NS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000595119111 356385561 /nfs/dbraw/zinc/38/55/61/356385561.db2.gz MFPCTIXOCOJWRQ-VIFPVBQESA-N 1 0 301.368 1.098 20 5 DDBDRO C[NH2+]C[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000595121111 356385999 /nfs/dbraw/zinc/38/59/99/356385999.db2.gz GXSDNRRVZHQJMF-VIFPVBQESA-N 1 0 301.368 1.098 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCNC(=O)C1CC1 ZINC000595004800 356370864 /nfs/dbraw/zinc/37/08/64/356370864.db2.gz SZXJAVRICGZBTG-JTQLQIEISA-N 1 0 307.350 1.780 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000595223825 356411291 /nfs/dbraw/zinc/41/12/91/356411291.db2.gz BMFLHRHDRSCLIW-NEPJUHHUSA-N 1 0 321.381 1.323 20 5 DDBDRO CO[C@@H](C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C1CCC1 ZINC000595290628 356435038 /nfs/dbraw/zinc/43/50/38/356435038.db2.gz XHFMPLZDTGBHOU-HNNXBMFYSA-N 1 0 320.393 1.927 20 5 DDBDRO CO[C@H](CN1CCc2ncc([N+](=O)[O-])cc2C1)[C@@H]1CCOC1 ZINC000595423135 356486306 /nfs/dbraw/zinc/48/63/06/356486306.db2.gz JNELLYZVTAEFPK-IAQYHMDHSA-N 1 0 307.350 1.399 20 5 DDBDRO CC(C)[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)[C@H](O)C(F)(F)F ZINC000595481088 356510801 /nfs/dbraw/zinc/51/08/01/356510801.db2.gz CKXVPYRTVSVPME-UWVGGRQHSA-N 1 0 310.276 1.329 20 5 DDBDRO CCCc1n[nH]c(C(=O)N[C@@H](C[NH3+])C2CCCCC2)c1[N+](=O)[O-] ZINC000236884929 202052105 /nfs/dbraw/zinc/05/21/05/202052105.db2.gz PCWHYUYEDZBTRB-LBPRGKRZSA-N 1 0 323.397 1.908 20 5 DDBDRO Cn1cc(C[C@H]2CCC[C@@H]2[NH2+]CCn2cc([N+](=O)[O-])cn2)cn1 ZINC000595771527 356645640 /nfs/dbraw/zinc/64/56/40/356645640.db2.gz QAIJCICMGBXZDJ-HIFRSBDPSA-N 1 0 318.381 1.526 20 5 DDBDRO CC[NH2+]CC1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000237007416 202117976 /nfs/dbraw/zinc/11/79/76/202117976.db2.gz MDCKRVVLMBIHMV-UHFFFAOYSA-N 1 0 320.393 1.855 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC2(COC2)C1 ZINC000595834273 356670354 /nfs/dbraw/zinc/67/03/54/356670354.db2.gz NSALAYDGHVAMNV-UHFFFAOYSA-N 1 0 319.361 1.954 20 5 DDBDRO C[C@@H](C[NH3+])NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000276935030 213185277 /nfs/dbraw/zinc/18/52/77/213185277.db2.gz BDMDWHDBSMQHPH-NSHDSACASA-N 1 0 306.366 1.662 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000347432741 283213015 /nfs/dbraw/zinc/21/30/15/283213015.db2.gz PEWDFBAAETUNTN-LBPRGKRZSA-N 1 0 321.381 1.132 20 5 DDBDRO Cc1c(NC(=O)[C@H](C)N(C)CC(C)(C)[NH3+])cccc1[N+](=O)[O-] ZINC000595903205 356698816 /nfs/dbraw/zinc/69/88/16/356698816.db2.gz UMXYFLDVVKNZIU-NSHDSACASA-N 1 0 308.382 1.899 20 5 DDBDRO [NH3+]C1(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)CC2(CCC2)C1 ZINC000595923045 356705743 /nfs/dbraw/zinc/70/57/43/356705743.db2.gz ORPROTKDEBTQEL-UHFFFAOYSA-N 1 0 318.377 1.785 20 5 DDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)c1cn[nH]c1[C@@H]1CC[NH2+]C1 ZINC000595925112 356707023 /nfs/dbraw/zinc/70/70/23/356707023.db2.gz VIXAVSMASGUWGK-SECBINFHSA-N 1 0 301.306 1.647 20 5 DDBDRO CC(C)[C@H]([NH3+])CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000595987180 356736600 /nfs/dbraw/zinc/73/66/00/356736600.db2.gz JYCWBUNCTAVSGK-SNVBAGLBSA-N 1 0 309.322 1.427 20 5 DDBDRO CC(C)[C@H]([NH3+])CCNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000595946293 356717168 /nfs/dbraw/zinc/71/71/68/356717168.db2.gz AEAFLHXKUGDLSM-GFCCVEGCSA-N 1 0 308.382 1.886 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000596097789 356770547 /nfs/dbraw/zinc/77/05/47/356770547.db2.gz GARQZHQJADHTFN-UHFFFAOYSA-N 1 0 305.334 1.026 20 5 DDBDRO C[N@@H+]1CC[C@@]2(CCN(c3ccc([N+](=O)[O-])c(C(N)=O)c3)C2)C1 ZINC000596242811 356829678 /nfs/dbraw/zinc/82/96/78/356829678.db2.gz ZKLKYILTWWOEJI-OAHLLOKOSA-N 1 0 304.350 1.226 20 5 DDBDRO O=c1[nH]ccc(NC2CC[NH+](C[C@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000596129669 356784850 /nfs/dbraw/zinc/78/48/50/356784850.db2.gz ILIVACPKYONRDT-LLVKDONJSA-N 1 0 322.365 1.608 20 5 DDBDRO C[C@@H](CCNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])[NH+](C)C ZINC000596430877 356878014 /nfs/dbraw/zinc/87/80/14/356878014.db2.gz LGXZETAKIIISOJ-QMMMGPOBSA-N 1 0 321.424 1.812 20 5 DDBDRO C[C@@H](CCNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)[NH+](C)C ZINC000596433897 356879774 /nfs/dbraw/zinc/87/97/74/356879774.db2.gz VMQLSBOPQCDUNK-JTQLQIEISA-N 1 0 315.395 1.750 20 5 DDBDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNc1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000596308735 356852419 /nfs/dbraw/zinc/85/24/19/356852419.db2.gz MKOOVOQOIUEZDU-SNVBAGLBSA-N 1 0 306.366 1.978 20 5 DDBDRO CC(C)(C)[N@@H+]1CC[C@H]1CNc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000596308414 356852736 /nfs/dbraw/zinc/85/27/36/356852736.db2.gz RUHOIJJSXNYRRL-LBPRGKRZSA-N 1 0 308.382 1.954 20 5 DDBDRO C[NH+](C)C1(C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000596649786 356941781 /nfs/dbraw/zinc/94/17/81/356941781.db2.gz LBQVWNQRCGRCIF-UHFFFAOYSA-N 1 0 318.377 1.338 20 5 DDBDRO COc1cc(OCC(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)ccc1[N+](=O)[O-] ZINC000237226001 202195907 /nfs/dbraw/zinc/19/59/07/202195907.db2.gz JHRVOPLUIPHMGD-GHMZBOCLSA-N 1 0 323.349 1.191 20 5 DDBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC12CC[NH2+]CC2 ZINC000597441690 357177221 /nfs/dbraw/zinc/17/72/21/357177221.db2.gz SWWIYDSIDMMUET-CQSZACIVSA-N 1 0 318.377 1.579 20 5 DDBDRO C[NH+](C)CC1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000597708828 357296421 /nfs/dbraw/zinc/29/64/21/357296421.db2.gz PFDITRGTHMKYNH-UHFFFAOYSA-N 1 0 303.318 1.975 20 5 DDBDRO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000597619968 357258476 /nfs/dbraw/zinc/25/84/76/357258476.db2.gz LKFQDLFVHPJEJV-GFCCVEGCSA-N 1 0 322.365 1.250 20 5 DDBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](CO)C[NH+](C)C ZINC000597653278 357270248 /nfs/dbraw/zinc/27/02/48/357270248.db2.gz IQQHRJJOVGIIGO-UONOGXRCSA-N 1 0 323.393 1.202 20 5 DDBDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000597856816 357359803 /nfs/dbraw/zinc/35/98/03/357359803.db2.gz AQPXHTWZPZPRBO-LLVKDONJSA-N 1 0 309.370 1.170 20 5 DDBDRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000597857682 357359813 /nfs/dbraw/zinc/35/98/13/357359813.db2.gz IWXXRGVXQHZTPO-JTQLQIEISA-N 1 0 308.338 1.298 20 5 DDBDRO CCCc1n[nH]c(C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000597921533 357382462 /nfs/dbraw/zinc/38/24/62/357382462.db2.gz GUQYPEPFMXZTSX-JTQLQIEISA-N 1 0 323.397 1.873 20 5 DDBDRO COC(=O)c1ccnc(NC[C@@H]2CC[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000598587286 357642384 /nfs/dbraw/zinc/64/23/84/357642384.db2.gz OECSGIXGODAUMP-JTQLQIEISA-N 1 0 320.349 1.673 20 5 DDBDRO CC[N@@H+]1CCC[C@@H](CNc2nccc(C(=O)OC)c2[N+](=O)[O-])C1 ZINC000598591343 357644629 /nfs/dbraw/zinc/64/46/29/357644629.db2.gz AANKBPMTJKVVKE-NSHDSACASA-N 1 0 322.365 1.920 20 5 DDBDRO COC(=O)c1ccnc(NCC2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000598596527 357646445 /nfs/dbraw/zinc/64/64/45/357646445.db2.gz SLUOQGXPFDKRSR-UHFFFAOYSA-N 1 0 308.338 1.530 20 5 DDBDRO CC[NH+](CC)[C@H]1CCN(c2nccc(C(=O)OC)c2[N+](=O)[O-])C1 ZINC000598600722 357649498 /nfs/dbraw/zinc/64/94/98/357649498.db2.gz PYOCBAJBCNZKNB-NSHDSACASA-N 1 0 322.365 1.697 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000598559451 357631927 /nfs/dbraw/zinc/63/19/27/357631927.db2.gz HQSZQOOYZSSJRQ-LBPRGKRZSA-N 1 0 321.381 1.180 20 5 DDBDRO O=C(NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccc([N+](=O)[O-])cn1 ZINC000598560046 357632044 /nfs/dbraw/zinc/63/20/44/357632044.db2.gz JYWDGXRPYVQGBJ-ZDUSSCGKSA-N 1 0 318.377 1.842 20 5 DDBDRO Cc1ccc(S(=O)(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)cc1[N+](=O)[O-] ZINC000599106161 357817411 /nfs/dbraw/zinc/81/74/11/357817411.db2.gz SVOCSCOQQOOTRA-WDEREUQCSA-N 1 0 313.379 1.322 20 5 DDBDRO COC(=O)[C@]1(OC)CC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000599564177 357974985 /nfs/dbraw/zinc/97/49/85/357974985.db2.gz QCSUDTGDOJMBRO-NHYWBVRUSA-N 1 0 308.334 1.920 20 5 DDBDRO COC(=O)[C@@]1(OC)CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000599562861 357974999 /nfs/dbraw/zinc/97/49/99/357974999.db2.gz IUINBVPKTOQQAR-OAHLLOKOSA-N 1 0 308.334 1.401 20 5 DDBDRO COC(=O)[C@@]1(OC)CC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000599568170 357977037 /nfs/dbraw/zinc/97/70/37/357977037.db2.gz QVEWEMFEVDZEMP-IAQYHMDHSA-N 1 0 308.334 1.920 20 5 DDBDRO COc1ccc(NC(=O)NCC2([NH3+])CCOCC2)cc1[N+](=O)[O-] ZINC000599602981 357990189 /nfs/dbraw/zinc/99/01/89/357990189.db2.gz BJZZGFCFDGYCSD-UHFFFAOYSA-N 1 0 324.337 1.233 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000184971657 199788649 /nfs/dbraw/zinc/78/86/49/199788649.db2.gz RQRWALTXQOLHDT-LERXQTSPSA-N 1 0 318.377 1.470 20 5 DDBDRO CC(C)[C@H]1C[NH2+]CCN1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000599906355 358077879 /nfs/dbraw/zinc/07/78/79/358077879.db2.gz CPOKLJIGXLRUFM-OAHLLOKOSA-N 1 0 320.393 1.777 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]([N@@H+]3CC[C@@H](O)C3)C2)c1 ZINC000599939516 358086319 /nfs/dbraw/zinc/08/63/19/358086319.db2.gz WCQSNWKSFXQUOO-CHWSQXEVSA-N 1 0 319.361 1.184 20 5 DDBDRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)CNc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000599988990 358097016 /nfs/dbraw/zinc/09/70/16/358097016.db2.gz QOPVYBLEJLWGLX-HBYGRHMLSA-N 1 0 304.350 1.025 20 5 DDBDRO C[N@@H+]1CCCC[C@@H](CNC(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000600309517 358192043 /nfs/dbraw/zinc/19/20/43/358192043.db2.gz BBRQOJKGANVUFQ-ZDUSSCGKSA-N 1 0 305.378 1.985 20 5 DDBDRO C[N@@H+]1CCCC[C@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000600312970 358192913 /nfs/dbraw/zinc/19/29/13/358192913.db2.gz WHNXDRBKJSGGRI-SNVBAGLBSA-N 1 0 324.356 1.778 20 5 DDBDRO Cn1c(C(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)ccc1[N+](=O)[O-] ZINC000600472773 358234535 /nfs/dbraw/zinc/23/45/35/358234535.db2.gz QIGCQVQDHVAZKR-GFCCVEGCSA-N 1 0 306.366 1.680 20 5 DDBDRO COc1ccc(NC(=O)C[NH2+][C@H](CO)C(C)C)c([N+](=O)[O-])c1 ZINC000180617936 199186046 /nfs/dbraw/zinc/18/60/46/199186046.db2.gz LFWUJEPMUAIAQA-GFCCVEGCSA-N 1 0 311.338 1.148 20 5 DDBDRO CC[N@@H+]1CC[C@@H](CNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000180839746 199216278 /nfs/dbraw/zinc/21/62/78/199216278.db2.gz QKJOVRZAOWGIBF-JTQLQIEISA-N 1 0 321.333 1.395 20 5 DDBDRO O=[N+]([O-])c1ccc2nccc(N3CC[NH+](CCCO)CC3)c2c1 ZINC000601109868 358405429 /nfs/dbraw/zinc/40/54/29/358405429.db2.gz ULRWXYAYGPODGF-UHFFFAOYSA-N 1 0 316.361 1.647 20 5 DDBDRO C[NH+]1CCC2(CC1)CN(c1ncc(F)cc1[N+](=O)[O-])CCO2 ZINC000601183263 358437839 /nfs/dbraw/zinc/43/78/39/358437839.db2.gz CPYLQZKUCMDVLK-UHFFFAOYSA-N 1 0 310.329 1.430 20 5 DDBDRO COc1ccc(C(=O)N2CCC[C@@H]3C[NH2+]CC[C@H]32)cc1[N+](=O)[O-] ZINC000601556441 358599418 /nfs/dbraw/zinc/59/94/18/358599418.db2.gz LPLLYIOMIFOUHY-CHWSQXEVSA-N 1 0 319.361 1.818 20 5 DDBDRO O=C(CC[N@@H+]1C[C@@H]2COC[C@@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000601971330 358759633 /nfs/dbraw/zinc/75/96/33/358759633.db2.gz AKJXPMMUDPRTKY-TXEJJXNPSA-N 1 0 305.334 1.502 20 5 DDBDRO COc1cc(C(=O)N[C@]23CCC[C@@H]2C[NH2+]C3)cc([N+](=O)[O-])c1C ZINC000601976823 358762738 /nfs/dbraw/zinc/76/27/38/358762738.db2.gz ZJAFBCDPCWTSTD-WBMJQRKESA-N 1 0 319.361 1.784 20 5 DDBDRO C[NH+](C)[C@@H]1C[C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000602174789 358864277 /nfs/dbraw/zinc/86/42/77/358864277.db2.gz UQRDJXAZQYOKNI-UONOGXRCSA-N 1 0 305.378 1.982 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1C[C@@H]([NH+](C)C)C1(C)C ZINC000602175167 358864304 /nfs/dbraw/zinc/86/43/04/358864304.db2.gz WOTQJNVOLNUICW-NWDGAFQWSA-N 1 0 323.397 1.335 20 5 DDBDRO CC(C)[C@H]1C[NH2+]CCN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000602529612 359029322 /nfs/dbraw/zinc/02/93/22/359029322.db2.gz QKDXPEIOPLVVMM-CQSZACIVSA-N 1 0 306.366 1.463 20 5 DDBDRO O=C(CNc1ccccc1[N+](=O)[O-])N[C@H]1CC[NH2+]C12CCC2 ZINC000602530782 359029992 /nfs/dbraw/zinc/02/99/92/359029992.db2.gz HEUWESYIKWPAGD-ZDUSSCGKSA-N 1 0 304.350 1.408 20 5 DDBDRO CN(C)C(=O)CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602533074 359030855 /nfs/dbraw/zinc/03/08/55/359030855.db2.gz NTEPYGQSYMSUNP-UHFFFAOYSA-N 1 0 321.381 1.027 20 5 DDBDRO C[NH2+]CCOCCN(C)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000602549086 359039532 /nfs/dbraw/zinc/03/95/32/359039532.db2.gz QYNHAVBGSMTWES-UHFFFAOYSA-N 1 0 315.757 1.556 20 5 DDBDRO Cn1cc(CN2CCC[C@@H]2C[NH+]2CCCCC2)c([N+](=O)[O-])n1 ZINC000602451094 358984987 /nfs/dbraw/zinc/98/49/87/358984987.db2.gz ZZUOKIKCRYWZMV-CQSZACIVSA-N 1 0 307.398 1.779 20 5 DDBDRO CCNC(=O)N1CC[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000602568469 359047894 /nfs/dbraw/zinc/04/78/94/359047894.db2.gz NMGRNOWGNVWTBI-ZDUSSCGKSA-N 1 0 306.366 1.531 20 5 DDBDRO C[C@H](O)CCC[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602641009 359092580 /nfs/dbraw/zinc/09/25/80/359092580.db2.gz UGHWEPKEEZRUSZ-LBPRGKRZSA-N 1 0 308.382 1.709 20 5 DDBDRO CN(CC(=O)N1CCCCC[C@H]([NH3+])C1)c1ccccc1[N+](=O)[O-] ZINC000602582338 359054214 /nfs/dbraw/zinc/05/42/14/359054214.db2.gz WPROMRZVDFPKQB-ZDUSSCGKSA-N 1 0 320.393 1.761 20 5 DDBDRO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000602599199 359064005 /nfs/dbraw/zinc/06/40/05/359064005.db2.gz GOUSDWPLXMAXJM-RYUDHWBXSA-N 1 0 302.334 1.355 20 5 DDBDRO Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602789268 359193076 /nfs/dbraw/zinc/19/30/76/359193076.db2.gz UAVWXWIIFLQZOG-AWEZNQCLSA-N 1 0 318.381 1.979 20 5 DDBDRO CCS(=O)(=O)C1(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000602719212 359147169 /nfs/dbraw/zinc/14/71/69/359147169.db2.gz VXETYYVQYSRZMG-UHFFFAOYSA-N 1 0 312.391 1.694 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000602834800 359226645 /nfs/dbraw/zinc/22/66/45/359226645.db2.gz DBHAWFYFOGUPOM-HNNXBMFYSA-N 1 0 307.398 1.517 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)CCCNC(=O)C1CCC1 ZINC000602820459 359214684 /nfs/dbraw/zinc/21/46/84/359214684.db2.gz LTESJEQZWRKCNU-UHFFFAOYSA-N 1 0 323.397 1.338 20 5 DDBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCO[C@H](Cn2ccnn2)C1 ZINC000602903561 359284061 /nfs/dbraw/zinc/28/40/61/359284061.db2.gz RFJYVRZZAWRKEY-DOMZBBRYSA-N 1 0 317.349 1.648 20 5 DDBDRO COc1cc(CN2CCC[C@@](O)(C[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000602877768 359261052 /nfs/dbraw/zinc/26/10/52/359261052.db2.gz PUXPZWRPNZQWQQ-MRXNPFEDSA-N 1 0 323.393 1.492 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CCN1C[C@@H](C)O[C@@](C)(C(F)F)C1 ZINC000602903942 359284043 /nfs/dbraw/zinc/28/40/43/359284043.db2.gz TXDYOPWNQBLLJV-NOZJJQNGSA-N 1 0 318.324 1.844 20 5 DDBDRO C[C@](CO)([NH2+]C[C@H](O)CC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000602963453 359326530 /nfs/dbraw/zinc/32/65/30/359326530.db2.gz VTUMVNLTHRAUEQ-VXGBXAGGSA-N 1 0 322.283 1.705 20 5 DDBDRO COc1ccc(Cn2cc(CC[NH+](C)C)nn2)cc1[N+](=O)[O-] ZINC000603205457 359480066 /nfs/dbraw/zinc/48/00/66/359480066.db2.gz CKEVRXKPMYZUPS-UHFFFAOYSA-N 1 0 305.338 1.347 20 5 DDBDRO C[NH+](C)CCc1cn(Cc2ccc([N+](=O)[O-])cc2Cl)nn1 ZINC000603220637 359491947 /nfs/dbraw/zinc/49/19/47/359491947.db2.gz ZKASTZASHWOXOO-UHFFFAOYSA-N 1 0 309.757 1.992 20 5 DDBDRO COC(=O)c1cnc(N[C@@H]2C[C@@H]([NH+](C)C)C2(C)C)c([N+](=O)[O-])c1 ZINC000603405064 359621039 /nfs/dbraw/zinc/62/10/39/359621039.db2.gz GQMXPRSVWSXKKH-VXGBXAGGSA-N 1 0 322.365 1.917 20 5 DDBDRO CN(CCCC[NH+]1CCCCC1)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000603406555 359621454 /nfs/dbraw/zinc/62/14/54/359621454.db2.gz KFYXOLYUTRZGRO-UHFFFAOYSA-N 1 0 309.370 1.656 20 5 DDBDRO CC1(C)CC(NC(=O)Cn2cc([N+](=O)[O-])cn2)CC(C)(C)[NH2+]1 ZINC000603483840 359645229 /nfs/dbraw/zinc/64/52/29/359645229.db2.gz CFOBULHQGFFNHN-UHFFFAOYSA-N 1 0 309.370 1.217 20 5 DDBDRO Cc1ccncc1C[NH2+][C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000281018752 216025518 /nfs/dbraw/zinc/02/55/18/216025518.db2.gz XJLYNOMOFJVXMG-HZPDHXFCSA-N 1 0 317.345 1.482 20 5 DDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000187360524 200101484 /nfs/dbraw/zinc/10/14/84/200101484.db2.gz MZKRXVJRJXXCGE-LBPRGKRZSA-N 1 0 318.377 1.735 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000237580524 202292085 /nfs/dbraw/zinc/29/20/85/202292085.db2.gz GHSJDVLWIZBLIM-VXGBXAGGSA-N 1 0 309.370 1.124 20 5 DDBDRO CN1CCC[C@H]([NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000618565179 363676230 /nfs/dbraw/zinc/67/62/30/363676230.db2.gz GCTIJXKZWIDRME-MJBXVCDLSA-N 1 0 307.398 1.959 20 5 DDBDRO Cc1c(C(=O)N2CCC(OCCC[NH3+])CC2)cccc1[N+](=O)[O-] ZINC000237737236 202343114 /nfs/dbraw/zinc/34/31/14/202343114.db2.gz BQODMAYAYIUUCN-UHFFFAOYSA-N 1 0 321.377 1.873 20 5 DDBDRO Cc1c(C(=O)N[C@@H](C[NH3+])C2CC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000237822941 202363235 /nfs/dbraw/zinc/36/32/35/202363235.db2.gz QEGVOBZHFUCEFT-NSHDSACASA-N 1 0 322.321 1.587 20 5 DDBDRO [NH3+]CCCCNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000238059746 202430893 /nfs/dbraw/zinc/43/08/93/202430893.db2.gz JLGFCXJXXJDFDN-UHFFFAOYSA-N 1 0 303.322 1.249 20 5 DDBDRO C[NH2+]CCN(C)C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000286143554 283525408 /nfs/dbraw/zinc/52/54/08/283525408.db2.gz POEBREQJXYNXDB-UHFFFAOYSA-N 1 0 303.322 1.072 20 5 DDBDRO COc1ccc(CN2CC[NH+](C[C@H](C)O)CC2)cc1[N+](=O)[O-] ZINC000189277472 200374590 /nfs/dbraw/zinc/37/45/90/200374590.db2.gz NOVYXZIADHOLQW-LBPRGKRZSA-N 1 0 309.366 1.102 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C[C@H]1CCCCO1 ZINC000565797163 304093159 /nfs/dbraw/zinc/09/31/59/304093159.db2.gz MYXRJFFPHGAXRO-QWHCGFSZSA-N 1 0 310.350 1.493 20 5 DDBDRO COCC[N@@H+]1CCC[C@H](NC(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000609269195 360286157 /nfs/dbraw/zinc/28/61/57/360286157.db2.gz NABOLXQAHSWWKM-AWEZNQCLSA-N 1 0 321.377 1.364 20 5 DDBDRO Cc1nn(C)c(C(=O)N[C@@H](C)C2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000609583559 360329225 /nfs/dbraw/zinc/32/92/25/360329225.db2.gz PIJBDLYSVQAMQS-VIFPVBQESA-N 1 0 309.370 1.097 20 5 DDBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])cn2C)C[C@@H]1C ZINC000610125850 360384203 /nfs/dbraw/zinc/38/42/03/360384203.db2.gz VDAQHTFAUZCQMM-RYUDHWBXSA-N 1 0 308.382 1.878 20 5 DDBDRO Cc1cnc(N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c([N+](=O)[O-])c1 ZINC000610284067 360408598 /nfs/dbraw/zinc/40/85/98/360408598.db2.gz MSGHWZFQTSSVBK-OCCSQVGLSA-N 1 0 306.366 1.334 20 5 DDBDRO CNC(=O)c1ccc(N2CCC[C@H]2C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000610705325 360510096 /nfs/dbraw/zinc/51/00/96/360510096.db2.gz DRSPIYYNJPOTMA-LBPRGKRZSA-N 1 0 306.366 1.485 20 5 DDBDRO CC[N@@H+]1CCN(C(=O)CCn2cc([N+](=O)[O-])nc2C)C[C@H]1C ZINC000611087917 360619124 /nfs/dbraw/zinc/61/91/24/360619124.db2.gz RYKHECUUQJXHHJ-LLVKDONJSA-N 1 0 309.370 1.042 20 5 DDBDRO O=C(Nc1ccncc1[N+](=O)[O-])N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000611599957 360775139 /nfs/dbraw/zinc/77/51/39/360775139.db2.gz XIGYIXBDSCWHHY-LLVKDONJSA-N 1 0 305.338 1.018 20 5 DDBDRO Cc1ccncc1[C@H](C)[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000611939169 360862691 /nfs/dbraw/zinc/86/26/91/360862691.db2.gz OSCCESIWCODPQV-LBPRGKRZSA-N 1 0 302.334 1.811 20 5 DDBDRO [NH3+][C@@H]1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000237985005 283591403 /nfs/dbraw/zinc/59/14/03/283591403.db2.gz NIETUOFXHOCFDI-MRVPVSSYSA-N 1 0 314.139 1.531 20 5 DDBDRO C[N@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)CC1(O)CCC1 ZINC000612851996 361169437 /nfs/dbraw/zinc/16/94/37/361169437.db2.gz OSGXPSCNJISHSW-UHFFFAOYSA-N 1 0 308.334 1.713 20 5 DDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H](C)C[NH+](C)C ZINC000292790594 223248151 /nfs/dbraw/zinc/24/81/51/223248151.db2.gz WTPMRWWGZGILRX-SNVBAGLBSA-N 1 0 315.395 1.379 20 5 DDBDRO C[C@H](C[NH3+])N(C)S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000193280148 201018983 /nfs/dbraw/zinc/01/89/83/201018983.db2.gz UMHJSVCCNYWZRJ-SECBINFHSA-N 1 0 324.362 1.111 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[NH2+]CCCc2ccc3c(c2)CCO3)c1 ZINC000193303347 201024951 /nfs/dbraw/zinc/02/49/51/201024951.db2.gz JKGDRGOGMMTTHG-UHFFFAOYSA-N 1 0 316.361 1.949 20 5 DDBDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000193359086 201036939 /nfs/dbraw/zinc/03/69/39/201036939.db2.gz ZYLHPDUEVNGNPL-NSHDSACASA-N 1 0 322.365 1.690 20 5 DDBDRO CNc1c(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)cccc1[N+](=O)[O-] ZINC000613233711 361341144 /nfs/dbraw/zinc/34/11/44/361341144.db2.gz XIWSRVOAGLCZLN-GFCCVEGCSA-N 1 0 318.377 1.851 20 5 DDBDRO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000193520731 201067985 /nfs/dbraw/zinc/06/79/85/201067985.db2.gz NTNYDXYXDWLEKP-GXFFZTMASA-N 1 0 306.366 1.531 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])c(NCCC[N@@H+]2CCC[C@@H]2C(N)=O)n1 ZINC000359099309 299327948 /nfs/dbraw/zinc/32/79/48/299327948.db2.gz VFLMGVYXNSFZMO-GFCCVEGCSA-N 1 0 321.381 1.358 20 5 DDBDRO CC(C)(C)[NH+]1CCC(NC(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000194341821 201206402 /nfs/dbraw/zinc/20/64/02/201206402.db2.gz NLJZZZVJPBJBST-UHFFFAOYSA-N 1 0 309.370 1.170 20 5 DDBDRO CC[C@H]1C[N@H+](C)CCCN1C(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000619578468 364070425 /nfs/dbraw/zinc/07/04/25/364070425.db2.gz JAGJCYPMKBWURJ-LBPRGKRZSA-N 1 0 309.370 1.042 20 5 DDBDRO COc1cccc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])n1 ZINC000348923592 283760357 /nfs/dbraw/zinc/76/03/57/283760357.db2.gz UFRIVPDEECDXMJ-UHFFFAOYSA-N 1 0 302.334 1.964 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CC[NH2+][C@@H](C)C2)cc1[N+](=O)[O-] ZINC000275530032 212396858 /nfs/dbraw/zinc/39/68/58/212396858.db2.gz MTZCELPNAOLEEL-QMMMGPOBSA-N 1 0 308.294 1.245 20 5 DDBDRO O=C(C[C@@H]1CSCC[NH2+]1)NCCc1ccc([N+](=O)[O-])cc1 ZINC000091137861 193003533 /nfs/dbraw/zinc/00/35/33/193003533.db2.gz HBWBERFJOUMDTM-GFCCVEGCSA-N 1 0 309.391 1.349 20 5 DDBDRO O=C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000275181037 212179095 /nfs/dbraw/zinc/17/90/95/212179095.db2.gz ARGFFRXZVYXYSP-ZOWXZIJZSA-N 1 0 320.345 1.530 20 5 DDBDRO C[C@H](C[NH+](C)C)NC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000349846386 284075129 /nfs/dbraw/zinc/07/51/29/284075129.db2.gz LRTXGSSOQNYBEG-LLVKDONJSA-N 1 0 309.370 1.256 20 5 DDBDRO O=C(COc1cccc([N+](=O)[O-])c1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261659349 203088843 /nfs/dbraw/zinc/08/88/43/203088843.db2.gz BWLRGDNBILVVQL-BETUJISGSA-N 1 0 319.361 1.432 20 5 DDBDRO COc1ccc(C(=O)N2CCC[C@H](CC[NH3+])C2)cc1[N+](=O)[O-] ZINC000262005562 203172458 /nfs/dbraw/zinc/17/24/58/203172458.db2.gz VTKAZATWLYPCIR-LLVKDONJSA-N 1 0 307.350 1.804 20 5 DDBDRO C[NH2+]CCC1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000262085805 203194241 /nfs/dbraw/zinc/19/42/41/203194241.db2.gz RBKSSYYOKXAJDU-UHFFFAOYSA-N 1 0 321.377 1.822 20 5 DDBDRO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000262594954 203344631 /nfs/dbraw/zinc/34/46/31/203344631.db2.gz UHMNWCISSBLVTR-RYUDHWBXSA-N 1 0 307.350 1.607 20 5 DDBDRO CCCc1n[nH]c(C(=O)NC[C@H](C)[NH+](CC)CC)c1[N+](=O)[O-] ZINC000264598014 204018219 /nfs/dbraw/zinc/01/82/19/204018219.db2.gz IFQZLBJRVLWLDK-JTQLQIEISA-N 1 0 311.386 1.731 20 5 DDBDRO O=C1CC[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C2(CCC2)N1 ZINC000282721512 217201058 /nfs/dbraw/zinc/20/10/58/217201058.db2.gz HOGQKLNRKLRFAE-AWEZNQCLSA-N 1 0 303.362 1.928 20 5 DDBDRO CC(C)[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CC(N)=O ZINC000282765816 217234816 /nfs/dbraw/zinc/23/48/16/217234816.db2.gz UMYNLZPSGZCMPZ-UHFFFAOYSA-N 1 0 308.338 1.119 20 5 DDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N1CC[NH+](C2CCC2)CC1 ZINC000266156824 205144558 /nfs/dbraw/zinc/14/45/58/205144558.db2.gz JZSMSQZVTSPXDE-UHFFFAOYSA-N 1 0 303.362 1.834 20 5 DDBDRO CC[NH+](CC)[C@H]1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000266205818 205180701 /nfs/dbraw/zinc/18/07/01/205180701.db2.gz KYTLRCWUPHDZNX-JTQLQIEISA-N 1 0 307.354 1.009 20 5 DDBDRO CN(CC(=O)N1CCC[N@H+](C)CC1)c1ccccc1[N+](=O)[O-] ZINC000266248415 205214743 /nfs/dbraw/zinc/21/47/43/205214743.db2.gz RGIFFOOHNYQWLY-UHFFFAOYSA-N 1 0 306.366 1.195 20 5 DDBDRO CO[C@@H]1CCC[C@@H]1C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000566673510 304175182 /nfs/dbraw/zinc/17/51/82/304175182.db2.gz PAWLVBMOPRIOTH-UMVBOHGHSA-N 1 0 324.377 1.739 20 5 DDBDRO COc1ccc(C[NH2+][C@@H](CCO)C2CCOCC2)cc1[N+](=O)[O-] ZINC000359576474 299487998 /nfs/dbraw/zinc/48/79/98/299487998.db2.gz OGHHMTGPAZQAFN-AWEZNQCLSA-N 1 0 324.377 1.871 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H](O)C1 ZINC000041886255 183223354 /nfs/dbraw/zinc/22/33/54/183223354.db2.gz SKILIFDVMAGIDN-GFCCVEGCSA-N 1 0 323.349 1.389 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1CN1CC[N@H+](C[C@H](C)O)C[C@@H]1C ZINC000337427438 249490936 /nfs/dbraw/zinc/49/09/36/249490936.db2.gz SWWNABANKIRICT-STQMWFEESA-N 1 0 323.393 1.490 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H]1CCC[NH2+]C1 ZINC000044502575 183416213 /nfs/dbraw/zinc/41/62/13/183416213.db2.gz VATPUZLNHUSWMW-NSHDSACASA-N 1 0 313.379 1.181 20 5 DDBDRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000274126852 211379794 /nfs/dbraw/zinc/37/97/94/211379794.db2.gz XXDLSIWWDLNVKV-NXEZZACHSA-N 1 0 323.349 1.371 20 5 DDBDRO COc1ccc(NC(=O)C[NH2+][C@H](C)[C@@H]2CCOC2)c([N+](=O)[O-])c1 ZINC000274046675 211303892 /nfs/dbraw/zinc/30/38/92/211303892.db2.gz OZZIDMQYHTVYKQ-GHMZBOCLSA-N 1 0 323.349 1.557 20 5 DDBDRO C[C@@H]([NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@H](C)CO ZINC000274013351 211271793 /nfs/dbraw/zinc/27/17/93/211271793.db2.gz LZYDNRJLSWHIHR-NXEZZACHSA-N 1 0 306.322 1.751 20 5 DDBDRO CC(C)(C)CC[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000285155247 218312573 /nfs/dbraw/zinc/31/25/73/218312573.db2.gz QICDNLBAZZRREL-UHFFFAOYSA-N 1 0 309.370 1.512 20 5 DDBDRO CN(C(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000285352591 218394179 /nfs/dbraw/zinc/39/41/79/218394179.db2.gz ACMSNRVTKOAGIH-ZIAGYGMSSA-N 1 0 307.350 1.403 20 5 DDBDRO C[N@@H+]1CC[C@H](CNC(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000109849733 194294191 /nfs/dbraw/zinc/29/41/91/194294191.db2.gz CPEZCJMJBWHLBX-GFCCVEGCSA-N 1 0 306.366 1.465 20 5 DDBDRO Cc1ccc(S(=O)(=O)NC2CCC([NH3+])CC2)cc1[N+](=O)[O-] ZINC000051693438 183834222 /nfs/dbraw/zinc/83/42/22/183834222.db2.gz ICAMCDRCQJNIJB-UHFFFAOYSA-N 1 0 313.379 1.451 20 5 DDBDRO C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)N1CCNC1=O ZINC000056197154 184006821 /nfs/dbraw/zinc/00/68/21/184006821.db2.gz CMFMHZIMMXZSSN-NXEZZACHSA-N 1 0 306.322 1.186 20 5 DDBDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000417237908 533001219 /nfs/dbraw/zinc/00/12/19/533001219.db2.gz XMMMYNMZDQRAAM-YPMHNXCESA-N 1 0 306.366 1.516 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](CCO)CC1CC1 ZINC000352457445 285063168 /nfs/dbraw/zinc/06/31/68/285063168.db2.gz DBMLLRXQHXUDPO-UHFFFAOYSA-N 1 0 307.350 1.546 20 5 DDBDRO O=C1OCC[C@H]1CC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000120174128 195112431 /nfs/dbraw/zinc/11/24/31/195112431.db2.gz OBPHHKPOSPKKQS-CYBMUJFWSA-N 1 0 319.361 1.670 20 5 DDBDRO O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000158627052 197289529 /nfs/dbraw/zinc/28/95/29/197289529.db2.gz KMUJPDVMCNQZBY-SQRWCISFSA-N 1 0 301.346 1.820 20 5 DDBDRO C[NH+](C)CCOC1CCN(c2ncc([N+](=O)[O-])cc2F)CC1 ZINC000413139523 224143024 /nfs/dbraw/zinc/14/30/24/224143024.db2.gz NQJYGAKDTNKJCU-UHFFFAOYSA-N 1 0 312.345 1.676 20 5 DDBDRO COCCOC[C@H](O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000295890977 533125938 /nfs/dbraw/zinc/12/59/38/533125938.db2.gz BNDKKXHNLZETSW-MRXNPFEDSA-N 1 0 324.377 1.583 20 5 DDBDRO Cn1cc([N+](=O)[O-])c(C(=O)N2CCC(CCC[NH+](C)C)CC2)n1 ZINC000271416291 208895392 /nfs/dbraw/zinc/89/53/92/208895392.db2.gz PEDFULGEOFEHOV-UHFFFAOYSA-N 1 0 323.397 1.522 20 5 DDBDRO CN(C(=O)C[N@H+](C)[C@H]1CCC[C@@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000352657371 285201268 /nfs/dbraw/zinc/20/12/68/285201268.db2.gz ACMSNRVTKOAGIH-KBPBESRZSA-N 1 0 307.350 1.403 20 5 DDBDRO CC(C)C[C@@H](C[NH3+])NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000155465924 197057808 /nfs/dbraw/zinc/05/78/08/197057808.db2.gz YLZPMZKIGSYZER-JTQLQIEISA-N 1 0 310.310 1.606 20 5 DDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[NH2+][C@H](C)C2)cc1OC ZINC000155071532 197018990 /nfs/dbraw/zinc/01/89/90/197018990.db2.gz ZPDUDQACOWEEGA-SNVBAGLBSA-N 1 0 323.349 1.436 20 5 DDBDRO O=C(Cc1ccccc1[N+](=O)[O-])N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000289330457 220882768 /nfs/dbraw/zinc/88/27/68/220882768.db2.gz VNODFACDOWCTQN-INIZCTEOSA-N 1 0 303.362 1.739 20 5 DDBDRO C[NH+]1CCC(NC(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 ZINC000120536511 195184866 /nfs/dbraw/zinc/18/48/66/195184866.db2.gz KSUFSCHHOJQSLZ-UHFFFAOYSA-N 1 0 306.366 1.531 20 5 DDBDRO Cc1ccc(NC(=O)N2CCCO[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000414663414 224369193 /nfs/dbraw/zinc/36/91/93/224369193.db2.gz SBDSYZMWOVEWEC-LBPRGKRZSA-N 1 0 308.338 1.485 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1CNC[C@]1(COC)CCC[NH2+]1 ZINC000414945634 224424745 /nfs/dbraw/zinc/42/47/45/224424745.db2.gz QUJBMMAWSOQDBA-INIZCTEOSA-N 1 0 323.393 1.852 20 5 DDBDRO C[N@@H+]1CCCC[C@@H](C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001120507876 781992628 /nfs/dbraw/zinc/99/26/28/781992628.db2.gz MCCBQCXNOWAOSR-BBRMVZONSA-N 1 0 307.394 1.950 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@](C)(CO)C(C)C ZINC000352890365 285365478 /nfs/dbraw/zinc/36/54/78/285365478.db2.gz CTWSXXSBCCUFHZ-OAHLLOKOSA-N 1 0 309.366 1.838 20 5 DDBDRO Cc1cnc([C@H](C)[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)s1 ZINC000124396181 195637304 /nfs/dbraw/zinc/63/73/04/195637304.db2.gz GRRUOMOMMHTQQB-GXSJLCMTSA-N 1 0 311.367 1.268 20 5 DDBDRO COC(=O)[C@](C)(O)C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451547228 533571916 /nfs/dbraw/zinc/57/19/16/533571916.db2.gz KOXZQPCGCBWWTQ-XJKSGUPXSA-N 1 0 322.361 1.698 20 5 DDBDRO C[C@@H]1CN(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC[C@H]1[NH3+] ZINC000568371311 304288359 /nfs/dbraw/zinc/28/83/59/304288359.db2.gz WPGDFPYGMFTCLP-BXUZGUMPSA-N 1 0 322.365 1.352 20 5 DDBDRO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N[C@H]1CCCC[NH2+]C1 ZINC000126845941 296496161 /nfs/dbraw/zinc/49/61/61/296496161.db2.gz FRBOZKQXIQCOAS-VIFPVBQESA-N 1 0 317.342 1.154 20 5 DDBDRO Cc1ccccc1C[C@H](C)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000568714518 304307052 /nfs/dbraw/zinc/30/70/52/304307052.db2.gz WUWYFSSBVLGJQF-XJKSGUPXSA-N 1 0 318.377 1.681 20 5 DDBDRO CC[NH+](CC)CCS(=O)(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000568804110 304312939 /nfs/dbraw/zinc/31/29/39/304312939.db2.gz GFBWWCKEPMOMBI-UHFFFAOYSA-N 1 0 315.395 1.356 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000569502913 304359278 /nfs/dbraw/zinc/35/92/78/304359278.db2.gz MELFLOVCSBXRAM-NJZAAPMLSA-N 1 0 318.377 1.208 20 5 DDBDRO COc1cc(C(=O)N[C@H]2C[C@@H]2C2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000361097898 299801271 /nfs/dbraw/zinc/80/12/71/299801271.db2.gz QTJQFQQDGWETBK-OLZOCXBDSA-N 1 0 319.361 1.721 20 5 DDBDRO Nc1cc(N)[nH+]c(SCCOc2cccc([N+](=O)[O-])c2)n1 ZINC000071917916 406868193 /nfs/dbraw/zinc/86/81/93/406868193.db2.gz KAEXECQGWGXORV-UHFFFAOYSA-N 1 0 307.335 1.720 20 5 DDBDRO CC(C)[NH+]1CCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000027419984 406910487 /nfs/dbraw/zinc/91/04/87/406910487.db2.gz YQJCWPKXNRCXOC-CYBMUJFWSA-N 1 0 320.393 1.948 20 5 DDBDRO C[NH2+]CCCNS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000036298083 406978600 /nfs/dbraw/zinc/97/86/00/406978600.db2.gz IAAUINLFPLBQLA-UHFFFAOYSA-N 1 0 321.786 1.444 20 5 DDBDRO Cc1ncsc1C[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075719588 406940808 /nfs/dbraw/zinc/94/08/08/406940808.db2.gz HOIOYHJYNOWGGM-LLVKDONJSA-N 1 0 311.367 1.049 20 5 DDBDRO CC(=O)NC1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000050990584 407132663 /nfs/dbraw/zinc/13/26/63/407132663.db2.gz VSIKFHDQRMYQEV-UHFFFAOYSA-N 1 0 307.350 1.574 20 5 DDBDRO C[N@@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)CC1CC1 ZINC000053184101 407164077 /nfs/dbraw/zinc/16/40/77/407164077.db2.gz LLVFBJDWNLBMER-UHFFFAOYSA-N 1 0 307.306 1.604 20 5 DDBDRO COC[C@@H](O)CC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000090950143 407173537 /nfs/dbraw/zinc/17/35/37/407173537.db2.gz QQZRVVVBSYRWGY-LSDHHAIUSA-N 1 0 308.378 1.903 20 5 DDBDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000063665531 407234607 /nfs/dbraw/zinc/23/46/07/407234607.db2.gz CZCUEHLJPYJDFA-LBPRGKRZSA-N 1 0 309.370 1.172 20 5 DDBDRO CC[N@H+](C)CCNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000101574871 407312047 /nfs/dbraw/zinc/31/20/47/407312047.db2.gz RWHZNOPNJMACIK-UHFFFAOYSA-N 1 0 321.786 1.478 20 5 DDBDRO C[C@@H](C[NH3+])CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000418467170 286823308 /nfs/dbraw/zinc/82/33/08/286823308.db2.gz IBGKCQMQMSUIBC-NSHDSACASA-N 1 0 306.366 1.864 20 5 DDBDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2c([N+](=O)[O-])cnn2C)C1 ZINC000128229881 407509141 /nfs/dbraw/zinc/50/91/41/407509141.db2.gz YYTFZCYLYUTHMD-LBPRGKRZSA-N 1 0 323.397 1.426 20 5 DDBDRO [NH3+]C[C@H]1CCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000178514705 407479252 /nfs/dbraw/zinc/47/92/52/407479252.db2.gz JKTAZCNHYZFJKC-LLVKDONJSA-N 1 0 315.333 1.201 20 5 DDBDRO COC(=O)c1cc(NC(=O)C[C@@H]2CCC[NH2+]2)cc([N+](=O)[O-])c1 ZINC000151714992 407482700 /nfs/dbraw/zinc/48/27/00/407482700.db2.gz GTGIVHFUBIIRMS-JTQLQIEISA-N 1 0 307.306 1.462 20 5 DDBDRO CC[NH+]1CCN(CCNC(=O)c2cccc(C)c2[N+](=O)[O-])CC1 ZINC000112918250 407448634 /nfs/dbraw/zinc/44/86/34/407448634.db2.gz ZFDVAEWOQLJQHF-UHFFFAOYSA-N 1 0 320.393 1.271 20 5 DDBDRO CC[C@H](O)[C@@H]1CCCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000114188011 407550966 /nfs/dbraw/zinc/55/09/66/407550966.db2.gz FXFZWVBSSBXKJX-ZFWWWQNUSA-N 1 0 321.377 1.819 20 5 DDBDRO COc1ccc(C(=O)N[C@@H]2CC[NH2+]CC2(C)C)cc1[N+](=O)[O-] ZINC000261702960 407586119 /nfs/dbraw/zinc/58/61/19/407586119.db2.gz LTBKSZBZSOHDKW-CYBMUJFWSA-N 1 0 307.350 1.721 20 5 DDBDRO C[NH+]1CCC(CNC(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000129012485 407588173 /nfs/dbraw/zinc/58/81/73/407588173.db2.gz WICXUIGDLXCINX-UHFFFAOYSA-N 1 0 307.350 1.432 20 5 DDBDRO C[N@H+](CCCOC(=O)NC(N)=O)Cc1ccccc1[N+](=O)[O-] ZINC000271430736 407682163 /nfs/dbraw/zinc/68/21/63/407682163.db2.gz BDFWPFDWGSPNAC-UHFFFAOYSA-N 1 0 310.310 1.222 20 5 DDBDRO Cn1c(C(=O)N2CCC([NH2+]CC3CC3)CC2)ccc1[N+](=O)[O-] ZINC000262063702 407729683 /nfs/dbraw/zinc/72/96/83/407729683.db2.gz FEFAILSVKRWTLB-UHFFFAOYSA-N 1 0 306.366 1.538 20 5 DDBDRO CN(C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)[C@H]1CC[NH2+]C1 ZINC000262013201 407710397 /nfs/dbraw/zinc/71/03/97/407710397.db2.gz CEWMFJRYDBROEF-NSHDSACASA-N 1 0 315.333 1.214 20 5 DDBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)Cc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000262077414 407732321 /nfs/dbraw/zinc/73/23/21/407732321.db2.gz GRWUBYKGVHNMQD-NWANDNLSSA-N 1 0 303.362 1.723 20 5 DDBDRO CC(C)([NH3+])CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000236636855 407737560 /nfs/dbraw/zinc/73/75/60/407737560.db2.gz BIBNVWRZMCRURT-UHFFFAOYSA-N 1 0 303.322 1.248 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000186730284 407760300 /nfs/dbraw/zinc/76/03/00/407760300.db2.gz HGMXOVQJFNPJIN-UHFFFAOYSA-N 1 0 307.350 1.770 20 5 DDBDRO CN(CCC(=O)Nc1ccccc1[N+](=O)[O-])CC[N@H+](C)C1CC1 ZINC000186746156 407762907 /nfs/dbraw/zinc/76/29/07/407762907.db2.gz BODBPJDMCAOSER-UHFFFAOYSA-N 1 0 320.393 1.949 20 5 DDBDRO C[NH2+]C[C@@H](C)CNS(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000237058462 407794397 /nfs/dbraw/zinc/79/43/97/407794397.db2.gz SXJCDHHSPQIUIB-SECBINFHSA-N 1 0 315.395 1.345 20 5 DDBDRO CN(C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000237095124 407795433 /nfs/dbraw/zinc/79/54/33/407795433.db2.gz YCJSWZMNLUPYBM-HWKANZROSA-N 1 0 307.325 1.958 20 5 DDBDRO COC(=O)c1cc(NC(=O)C2(C[NH3+])CCCC2)cc([N+](=O)[O-])c1 ZINC000237184493 407805038 /nfs/dbraw/zinc/80/50/38/407805038.db2.gz UANHPODXXJPBIS-UHFFFAOYSA-N 1 0 321.333 1.839 20 5 DDBDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000272240159 407830457 /nfs/dbraw/zinc/83/04/57/407830457.db2.gz KUFUQUUDNDDNBH-VHSXEESVSA-N 1 0 321.333 1.175 20 5 DDBDRO [NH3+][C@@H](CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)C1CC1 ZINC000238054369 407879014 /nfs/dbraw/zinc/87/90/14/407879014.db2.gz HYFNPFISRWSSSN-AWEZNQCLSA-N 1 0 315.333 1.248 20 5 DDBDRO C[C@@H]1CN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000153714420 407885224 /nfs/dbraw/zinc/88/52/24/407885224.db2.gz SNBFZVITXNTYRK-TXEJJXNPSA-N 1 0 306.366 1.240 20 5 DDBDRO O=C(C[C@H]1CSCC[NH2+]1)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000238087214 407888115 /nfs/dbraw/zinc/88/81/15/407888115.db2.gz FUIKBDKQOMONRY-LBPRGKRZSA-N 1 0 324.406 1.218 20 5 DDBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])cnc1N)[N@@H+]1CCC[C@H](C)C1 ZINC000180530419 407898444 /nfs/dbraw/zinc/89/84/44/407898444.db2.gz TWUVZLYIPOEJHV-QWRGUYRKSA-N 1 0 321.381 1.422 20 5 DDBDRO [NH3+]C[C@H]1CCC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000237848704 407847334 /nfs/dbraw/zinc/84/73/34/407847334.db2.gz YKTTVWBMYLKSMI-HTQZYQBOSA-N 1 0 305.381 1.062 20 5 DDBDRO Cc1nn(CCC(=O)N2CC[NH2+][C@@H](C)[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000262783582 407927976 /nfs/dbraw/zinc/92/79/76/407927976.db2.gz LWOBADIZPQBIAJ-GXSJLCMTSA-N 1 0 309.370 1.007 20 5 DDBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C[C@H]1CCCC[C@@H]1O ZINC000272451906 407928351 /nfs/dbraw/zinc/92/83/51/407928351.db2.gz CHDQCEJBJNBSJL-OCCSQVGLSA-N 1 0 309.366 1.239 20 5 DDBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000174392665 407941201 /nfs/dbraw/zinc/94/12/01/407941201.db2.gz NKJCCSBUYDDGCX-OAHLLOKOSA-N 1 0 316.361 1.751 20 5 DDBDRO COc1cc(C[NH2+]CCCO)c([N+](=O)[O-])cc1OCC(F)F ZINC000272482922 407941395 /nfs/dbraw/zinc/94/13/95/407941395.db2.gz SXBRIDGEYOYASP-UHFFFAOYSA-N 1 0 320.292 1.719 20 5 DDBDRO CCOC(=O)c1ccnc(N(C)[C@H]2CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000175047694 408039619 /nfs/dbraw/zinc/03/96/19/408039619.db2.gz UFURRJWMHSDGLX-NSHDSACASA-N 1 0 322.365 1.697 20 5 DDBDRO Cc1nc(NC[C@H](C(C)C)[NH+]2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000268439323 408044090 /nfs/dbraw/zinc/04/40/90/408044090.db2.gz CRWVLEBJWQRRHS-OAHLLOKOSA-N 1 0 321.425 1.982 20 5 DDBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)CN2CCOCC2)cc1[N+](=O)[O-] ZINC000181830899 408045056 /nfs/dbraw/zinc/04/50/56/408045056.db2.gz XGFWDNLRUCQRMJ-HIFRSBDPSA-N 1 0 323.393 1.247 20 5 DDBDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C1 ZINC000175445466 408133401 /nfs/dbraw/zinc/13/34/01/408133401.db2.gz AVWNNQCYBRYRHT-ZJUUUORDSA-N 1 0 308.338 1.298 20 5 DDBDRO CC(=O)N1CC[C@H](C[N@H+](C)CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000156333608 408252732 /nfs/dbraw/zinc/25/27/32/408252732.db2.gz FKOKSKWIAHDQNR-CQSZACIVSA-N 1 0 321.377 1.774 20 5 DDBDRO O=[N+]([O-])c1cnc(NC2CC[NH+](C[C@H]3CCOC3)CC2)nc1 ZINC000273605622 408262079 /nfs/dbraw/zinc/26/20/79/408262079.db2.gz KIRDQQICYCNEAN-LLVKDONJSA-N 1 0 307.354 1.298 20 5 DDBDRO [NH3+][C@@H]1CCC[C@@H]1C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000246288683 408206364 /nfs/dbraw/zinc/20/63/64/408206364.db2.gz NBEGRLZQGIMDFQ-KGYLQXTDSA-N 1 0 319.365 1.130 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@H](Nc3ccccc3)C2)n1 ZINC000176226044 408315722 /nfs/dbraw/zinc/31/57/22/408315722.db2.gz BFZBMHZKZDSXEB-AWEZNQCLSA-N 1 0 301.350 1.978 20 5 DDBDRO C[C@@H]1CCCN(C(=O)COc2ccccc2[N+](=O)[O-])[C@H]1C[NH3+] ZINC000156733165 408272554 /nfs/dbraw/zinc/27/25/54/408272554.db2.gz FCRKHEIULCEPPG-YPMHNXCESA-N 1 0 307.350 1.559 20 5 DDBDRO O=[N+]([O-])c1cnn(CCN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000246556316 408288971 /nfs/dbraw/zinc/28/89/71/408288971.db2.gz KSAGSJCWHRTRND-BBRMVZONSA-N 1 0 319.409 1.740 20 5 DDBDRO C[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000274136026 408303425 /nfs/dbraw/zinc/30/34/25/408303425.db2.gz YVVGNKWHWGEPTR-NEPJUHHUSA-N 1 0 307.350 1.938 20 5 DDBDRO COc1cc(C[NH2+]CCOCC(F)F)c([N+](=O)[O-])cc1O ZINC000190902067 408340119 /nfs/dbraw/zinc/34/01/19/408340119.db2.gz PLQYDEVITRBODH-UHFFFAOYSA-N 1 0 306.265 1.680 20 5 DDBDRO C[C@@H]1C[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@H]1CO ZINC000190863050 408333463 /nfs/dbraw/zinc/33/34/63/408333463.db2.gz ISMIGBUSOBAZOO-YPMHNXCESA-N 1 0 319.361 1.044 20 5 DDBDRO CCC[NH+]1CCC(CNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC1 ZINC000133284608 162055922 /nfs/dbraw/zinc/05/59/22/162055922.db2.gz FGTPAJGVLQQQDW-UHFFFAOYSA-N 1 0 322.365 1.547 20 5 DDBDRO CC[NH2+]CCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000165858171 162163498 /nfs/dbraw/zinc/16/34/98/162163498.db2.gz YYWGWLCFTCDZNZ-UHFFFAOYSA-N 1 0 316.155 1.697 20 5 DDBDRO CC[C@H](CO)[NH+]1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000269645970 408375621 /nfs/dbraw/zinc/37/56/21/408375621.db2.gz KZSWYXZWCNFPMO-ZBFHGGJFSA-N 1 0 323.393 1.017 20 5 DDBDRO CC[C@H](CO)[NH+]1CCN(Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000183374865 408392623 /nfs/dbraw/zinc/39/26/23/408392623.db2.gz QPGUYHCGAAZSSA-OAHLLOKOSA-N 1 0 307.394 1.792 20 5 DDBDRO CN(C)c1cc[nH+]cc1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000183465305 408419135 /nfs/dbraw/zinc/41/91/35/408419135.db2.gz SAAHVYDTHANUEG-UHFFFAOYSA-N 1 0 300.318 1.986 20 5 DDBDRO C[C@H](O)[C@@H]1CCCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000264410910 408479857 /nfs/dbraw/zinc/47/98/57/408479857.db2.gz JNOAHRHTJIKRKO-GWCFXTLKSA-N 1 0 307.350 1.429 20 5 DDBDRO C[C@@H]1C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]2CCCC[C@H]21 ZINC000248404807 408560747 /nfs/dbraw/zinc/56/07/47/408560747.db2.gz AIGNUCMCBSSGLY-UQOMUDLDSA-N 1 0 308.382 1.663 20 5 DDBDRO CC[NH2+]CC1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000161131671 408563873 /nfs/dbraw/zinc/56/38/73/408563873.db2.gz MCGJIUUEEJWHGW-UHFFFAOYSA-N 1 0 306.366 1.639 20 5 DDBDRO C[NH+](C)C1(CNC(=O)NCc2ccccc2[N+](=O)[O-])CCC1 ZINC000275618793 408623343 /nfs/dbraw/zinc/62/33/43/408623343.db2.gz OBQOUFVNEXXAFV-UHFFFAOYSA-N 1 0 306.366 1.878 20 5 DDBDRO Nc1nc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)ncc1[N+](=O)[O-] ZINC000161926124 408652375 /nfs/dbraw/zinc/65/23/75/408652375.db2.gz OJQKNFJRHJVVPE-ZYHUDNBSSA-N 1 0 318.381 1.420 20 5 DDBDRO COC(=O)CN(C)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000192807301 408653528 /nfs/dbraw/zinc/65/35/28/408653528.db2.gz SKIGGMAFGLDDNZ-UHFFFAOYSA-N 1 0 309.322 1.337 20 5 DDBDRO C[C@@H]1CC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@H]1CO ZINC000248910870 408662574 /nfs/dbraw/zinc/66/25/74/408662574.db2.gz IXZDEASTPPHPHQ-RISCZKNCSA-N 1 0 307.350 1.260 20 5 DDBDRO O=[N+]([O-])c1cnc(NCCC[NH+]2CCC(O)CC2)c(Cl)c1 ZINC000265544641 408689339 /nfs/dbraw/zinc/68/93/39/408689339.db2.gz PNOOTVSETPTOJH-UHFFFAOYSA-N 1 0 314.773 1.902 20 5 DDBDRO NC(=O)[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000184842515 408702481 /nfs/dbraw/zinc/70/24/81/408702481.db2.gz XNRNVBAXEMRIKI-MNOVXSKESA-N 1 0 320.349 1.167 20 5 DDBDRO CCOC(=O)[C@]1(C(C)C)CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000194856057 408801296 /nfs/dbraw/zinc/80/12/96/408801296.db2.gz CTYSKZMVCOZWDY-OAHLLOKOSA-N 1 0 324.381 1.703 20 5 DDBDRO CC[C@@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)N1CCOCC1 ZINC000165157355 408807721 /nfs/dbraw/zinc/80/77/21/408807721.db2.gz FNDACBRCNFJHLN-IUODEOHRSA-N 1 0 321.377 1.883 20 5 DDBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000249737612 408759080 /nfs/dbraw/zinc/75/90/80/408759080.db2.gz GDHHXCFIRXVDHA-QWRGUYRKSA-N 1 0 322.365 1.546 20 5 DDBDRO CCC[C@@]1([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCOC1 ZINC000285619168 408829796 /nfs/dbraw/zinc/82/97/96/408829796.db2.gz QOCNJDZNACWQPE-GOEBONIOSA-N 1 0 324.377 1.883 20 5 DDBDRO COC(=O)c1ccc(OC[C@@H](O)C[N@H+](C)C2CC2)c([N+](=O)[O-])c1 ZINC000290798890 408834163 /nfs/dbraw/zinc/83/41/63/408834163.db2.gz PIGADPSQTIYVMJ-LBPRGKRZSA-N 1 0 324.333 1.215 20 5 DDBDRO C[C@H](O)C[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(N)c2F)[C@@H](C)C1 ZINC000281611732 408896513 /nfs/dbraw/zinc/89/65/13/408896513.db2.gz ZEULRBKZEWHTSF-UWVGGRQHSA-N 1 0 312.345 1.207 20 5 DDBDRO O=C(COc1cccc([N+](=O)[O-])c1)N1CC[NH+]2CCC1CC2 ZINC000188849928 163073004 /nfs/dbraw/zinc/07/30/04/163073004.db2.gz XJRSDHUWWZCUOF-UHFFFAOYSA-N 1 0 305.334 1.280 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC2CC[NH+](C3CC3)CC2)n1 ZINC000286068289 408918715 /nfs/dbraw/zinc/91/87/15/408918715.db2.gz IYMHGNZBHZITAJ-UHFFFAOYSA-N 1 0 320.349 1.815 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000277403681 408934108 /nfs/dbraw/zinc/93/41/08/408934108.db2.gz HGBSJXOSWCHGSQ-JTQLQIEISA-N 1 0 307.350 1.816 20 5 DDBDRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000286183400 408938228 /nfs/dbraw/zinc/93/82/28/408938228.db2.gz RLQQTZNGUUWLOW-UEKVPHQBSA-N 1 0 307.350 1.476 20 5 DDBDRO CN(Cc1ccccc1[N+](=O)[O-])[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000292152640 408990883 /nfs/dbraw/zinc/99/08/83/408990883.db2.gz KGJBWWOTHPHOBG-GFCCVEGCSA-N 1 0 313.379 1.061 20 5 DDBDRO CCCc1n[nH]c(C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)c1[N+](=O)[O-] ZINC000293327969 409090295 /nfs/dbraw/zinc/09/02/95/409090295.db2.gz IWNZLWPGLPHUML-UWVGGRQHSA-N 1 0 307.354 1.094 20 5 DDBDRO CC[C@@H](C)[N@H+](C)CCNc1nc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000287785756 409093391 /nfs/dbraw/zinc/09/33/91/409093391.db2.gz IPUBHGGBBWSBHR-SNVBAGLBSA-N 1 0 310.354 1.919 20 5 DDBDRO COCC[N@H+](C)CCNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000287950372 409120678 /nfs/dbraw/zinc/12/06/78/409120678.db2.gz QKOAPISFCMVTCR-UHFFFAOYSA-N 1 0 311.367 1.590 20 5 DDBDRO COC(=O)c1ccc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])[nH]1 ZINC000289140219 409224516 /nfs/dbraw/zinc/22/45/16/409224516.db2.gz AGADGOUCVHFYJL-UHFFFAOYSA-N 1 0 318.333 1.675 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000294036473 409229661 /nfs/dbraw/zinc/22/96/61/409229661.db2.gz SAZXQLCBLCQXID-PHIMTYICSA-N 1 0 309.370 1.041 20 5 DDBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000290134239 409308116 /nfs/dbraw/zinc/30/81/16/409308116.db2.gz MAUUQYMVTLSDBT-UONOGXRCSA-N 1 0 303.362 1.595 20 5 DDBDRO CC1(C)OCC[C@H]1[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000295129151 409336652 /nfs/dbraw/zinc/33/66/52/409336652.db2.gz ARJLQHODBBJBBP-CQSZACIVSA-N 1 0 319.361 1.641 20 5 DDBDRO C[C@@H]1CN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC[N@@H+](C2CC2)C1 ZINC000295268652 409405309 /nfs/dbraw/zinc/40/53/09/409405309.db2.gz GQWAHMGUYWWICI-LBPRGKRZSA-N 1 0 321.381 1.124 20 5 DDBDRO C[N@H+](CCCN1C(=O)CNC1=O)CCc1ccccc1[N+](=O)[O-] ZINC000285275935 409409199 /nfs/dbraw/zinc/40/91/99/409409199.db2.gz JBUYZHHPFNFERW-UHFFFAOYSA-N 1 0 320.349 1.011 20 5 DDBDRO O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000320268978 164041179 /nfs/dbraw/zinc/04/11/79/164041179.db2.gz YDVHOENSQUWEDY-WEHDMVHDSA-N 1 0 301.346 1.676 20 5 DDBDRO CS[C@@H]1CC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000296233494 409473849 /nfs/dbraw/zinc/47/38/49/409473849.db2.gz KTIWJEMKZCPREF-VXGBXAGGSA-N 1 0 312.391 1.772 20 5 DDBDRO Cc1nc(NC[C@H](C(C)C)[NH+]2CCN(C)CC2)ncc1[N+](=O)[O-] ZINC000296283249 409488092 /nfs/dbraw/zinc/48/80/92/409488092.db2.gz HJTWFIQALTXGRP-CYBMUJFWSA-N 1 0 322.413 1.377 20 5 DDBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](C[C@@H]3CCCOC3)C2)nc1 ZINC000331461070 409533908 /nfs/dbraw/zinc/53/39/08/409533908.db2.gz JJJPGOIZHQZKRY-QWHCGFSZSA-N 1 0 306.366 1.903 20 5 DDBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1CN(C)CCN1C ZINC000344918380 409554448 /nfs/dbraw/zinc/55/44/48/409554448.db2.gz XOFRILVQWCBZRH-DZXKJOIRSA-N 1 0 318.421 1.834 20 5 DDBDRO C[C@H]1CC(C)(C)C[C@](CO)([NH2+]CCn2cc([N+](=O)[O-])cn2)C1 ZINC000304716012 409639649 /nfs/dbraw/zinc/63/96/49/409639649.db2.gz NCYWBPXMDWMLAU-SWLSCSKDSA-N 1 0 310.398 1.958 20 5 DDBDRO Cc1cc(C(=O)NCCNc2cc[nH+]cc2)ccc1[N+](=O)[O-] ZINC000338076135 409699223 /nfs/dbraw/zinc/69/92/23/409699223.db2.gz CPLNEOXGTUFKNT-UHFFFAOYSA-N 1 0 300.318 1.562 20 5 DDBDRO Cn1cc(CN2CCC[C@H]([NH3+])C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000346095348 409776074 /nfs/dbraw/zinc/77/60/74/409776074.db2.gz PSHLZQTUCOTBBT-AWEZNQCLSA-N 1 0 315.377 1.918 20 5 DDBDRO CN(Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C1C[NH2+]C1 ZINC000357048183 409821579 /nfs/dbraw/zinc/82/15/79/409821579.db2.gz JTHCUVBKTITXSH-UHFFFAOYSA-N 1 0 301.350 1.399 20 5 DDBDRO CC(C)(C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1)n1cc([N+](=O)[O-])cn1 ZINC000342703416 409829038 /nfs/dbraw/zinc/82/90/38/409829038.db2.gz DTUNAMBWNDSJOS-CYZMBNFOSA-N 1 0 321.381 1.112 20 5 DDBDRO CC[N@@H+]1CCCN(c2ccc(CC(=O)OC)cc2[N+](=O)[O-])CC1 ZINC000297192544 409844895 /nfs/dbraw/zinc/84/48/95/409844895.db2.gz QSWPAVJHMQCJDW-UHFFFAOYSA-N 1 0 321.377 1.842 20 5 DDBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Cn2cc([N+](=O)[O-])nc2C)C[C@@H]1C ZINC000354385213 409813909 /nfs/dbraw/zinc/81/39/09/409813909.db2.gz CTOWRJJSCWJBOP-AAEUAGOBSA-N 1 0 323.397 1.431 20 5 DDBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Cn2cc([N+](=O)[O-])nc2C)C[C@H]1C ZINC000354385290 409814591 /nfs/dbraw/zinc/81/45/91/409814591.db2.gz CTOWRJJSCWJBOP-DGCLKSJQSA-N 1 0 323.397 1.431 20 5 DDBDRO COc1c(C(=O)NCC[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000354606366 409964710 /nfs/dbraw/zinc/96/47/10/409964710.db2.gz SAKBSJYFDHKTGD-UHFFFAOYSA-N 1 0 307.350 1.819 20 5 DDBDRO C[C@@H]1[C@H](Nc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CCC[N@@H+]1C ZINC000342829721 409932775 /nfs/dbraw/zinc/93/27/75/409932775.db2.gz FZSGAHHQWCSJPU-BXKDBHETSA-N 1 0 317.349 2.138 20 5 DDBDRO COC(=O)[C@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000346636820 410050093 /nfs/dbraw/zinc/05/00/93/410050093.db2.gz HYRLTIBECBWALE-NEPJUHHUSA-N 1 0 308.334 1.857 20 5 DDBDRO O=[N+]([O-])c1cc(CN2CCc3nn[nH]c3C2)c2c(c1)COCO2 ZINC000351608797 410101905 /nfs/dbraw/zinc/10/19/05/410101905.db2.gz OBPWGIJOQARCFU-UHFFFAOYSA-N 1 0 317.305 1.138 20 5 DDBDRO C[C@H](O)CNc1cc(NCCc2ccc([N+](=O)[O-])cc2)ncn1 ZINC000298262795 410159010 /nfs/dbraw/zinc/15/90/10/410159010.db2.gz ONYJCLBMEHYTMU-NSHDSACASA-N 1 0 317.349 1.832 20 5 DDBDRO C[C@@H]1CCNC(=O)[C@@H]1[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000298551622 410287712 /nfs/dbraw/zinc/28/77/12/410287712.db2.gz OFMXMHAFWFRBID-QMTHXVAHSA-N 1 0 320.349 1.038 20 5 DDBDRO Cc1ccc(NC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000332716101 410231589 /nfs/dbraw/zinc/23/15/89/410231589.db2.gz VXRBQBYDXPBQNY-VXGBXAGGSA-N 1 0 304.350 1.976 20 5 DDBDRO C[N@@H+]1CCCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000298740126 410375443 /nfs/dbraw/zinc/37/54/43/410375443.db2.gz JRXXWSXETJSNSS-UHFFFAOYSA-N 1 0 321.333 1.144 20 5 DDBDRO Cn1c(C(=O)N2CCCC23CC[NH+](C)CC3)ccc1[N+](=O)[O-] ZINC000351993446 410399263 /nfs/dbraw/zinc/39/92/63/410399263.db2.gz JGKVSPRHPBIMMP-UHFFFAOYSA-N 1 0 306.366 1.634 20 5 DDBDRO O=C1[C@H]([N@@H+]2CCC[C@H](O)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000339782707 410457634 /nfs/dbraw/zinc/45/76/34/410457634.db2.gz HESNXNCXLGUGCK-LSDHHAIUSA-N 1 0 319.361 1.547 20 5 DDBDRO CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1[nH]nc(CC)c1[N+](=O)[O-] ZINC000343538596 410515832 /nfs/dbraw/zinc/51/58/32/410515832.db2.gz CHXKJNGNBQDXCA-SNVBAGLBSA-N 1 0 309.370 1.485 20 5 DDBDRO CC[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C[C@H](C)O ZINC000352232821 410567217 /nfs/dbraw/zinc/56/72/17/410567217.db2.gz WJQPJCRYFYEZNS-NSHDSACASA-N 1 0 307.350 1.187 20 5 DDBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2c([N+](=O)[O-])cnn2C)C[C@@H]1C ZINC000347534902 410601359 /nfs/dbraw/zinc/60/13/59/410601359.db2.gz ZSUSDZOMYRKDBF-WDEREUQCSA-N 1 0 309.370 1.273 20 5 DDBDRO O=[N+]([O-])c1cnc(NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c(Cl)c1 ZINC000300405246 410643164 /nfs/dbraw/zinc/64/31/64/410643164.db2.gz JFLGLJUACKKVPX-GXSJLCMTSA-N 1 0 312.757 1.918 20 5 DDBDRO NC(=O)c1cc([N+](=O)[O-])cnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000301062426 410648002 /nfs/dbraw/zinc/64/80/02/410648002.db2.gz BKLPJDFPMFFQTQ-NSHDSACASA-N 1 0 319.365 1.153 20 5 DDBDRO CC[C@H](C)[NH2+][C@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])c1ccco1 ZINC000359533383 410714142 /nfs/dbraw/zinc/71/41/42/410714142.db2.gz AFCSYKBEFBUAQV-VHSXEESVSA-N 1 0 321.337 1.770 20 5 DDBDRO CC[C@H](C)[NH2+][C@@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])c1ccco1 ZINC000359533382 410715442 /nfs/dbraw/zinc/71/54/42/410715442.db2.gz AFCSYKBEFBUAQV-UWVGGRQHSA-N 1 0 321.337 1.770 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000347936538 410799694 /nfs/dbraw/zinc/79/96/94/410799694.db2.gz CUWZULOLKDWPIQ-LBPRGKRZSA-N 1 0 309.370 1.089 20 5 DDBDRO Cc1n[nH]c(C(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)c1[N+](=O)[O-] ZINC000341074347 410882818 /nfs/dbraw/zinc/88/28/18/410882818.db2.gz WYCQAHFZVMYWTI-AOOOYVTPSA-N 1 0 309.370 1.619 20 5 DDBDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3c([N+](=O)[O-])ncn3C)[C@H]2C1 ZINC000344121206 410970089 /nfs/dbraw/zinc/97/00/89/410970089.db2.gz SROWEOZZHYDDFD-AVGNSLFASA-N 1 0 321.381 1.065 20 5 DDBDRO CCN(C)C(=O)C[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000360006830 410995743 /nfs/dbraw/zinc/99/57/43/410995743.db2.gz LDNILPFSAXOGAD-LLVKDONJSA-N 1 0 322.365 1.380 20 5 DDBDRO C[C@H](C[S@](C)=O)[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000331332779 411067397 /nfs/dbraw/zinc/06/73/97/411067397.db2.gz IMMFSANXEFXFSO-XSPWKBLVSA-N 1 0 314.411 1.632 20 5 DDBDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1cc([N+](=O)[O-])nn1C ZINC000356451579 411038909 /nfs/dbraw/zinc/03/89/09/411038909.db2.gz WTHBDLYEHCOUTL-UTUOFQBUSA-N 1 0 323.397 1.425 20 5 DDBDRO CC1(C)C[C@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C(C)(C)O1 ZINC000132617537 196270877 /nfs/dbraw/zinc/27/08/77/196270877.db2.gz ZQMSTLSGPYAFRJ-RYUDHWBXSA-N 1 0 312.370 1.088 20 5 DDBDRO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000415637121 224679984 /nfs/dbraw/zinc/67/99/84/224679984.db2.gz YWONGMIPAGPISP-UWVGGRQHSA-N 1 0 308.313 1.807 20 5 DDBDRO C[NH+](C)CC(C)(C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000416507378 224960305 /nfs/dbraw/zinc/96/03/05/224960305.db2.gz KBYCWIMSXWTQDD-UHFFFAOYSA-N 1 0 319.358 1.352 20 5 DDBDRO C[C@@H](NC(=O)NC[C@H]1CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000417139453 225222013 /nfs/dbraw/zinc/22/20/13/225222013.db2.gz OSINKUAVHQXPSG-NEPJUHHUSA-N 1 0 306.366 1.955 20 5 DDBDRO [NH3+]C[C@H](NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CC1 ZINC000418083292 225575438 /nfs/dbraw/zinc/57/54/38/225575438.db2.gz LEDZWWNYJCTZJS-LBPRGKRZSA-N 1 0 318.337 1.008 20 5 DDBDRO C[C@@H]1CN(CCOc2cccc([N+](=O)[O-])c2)[C@@H](C)C[N@@H+]1CCO ZINC000419331828 226120925 /nfs/dbraw/zinc/12/09/25/226120925.db2.gz RXEGQPRARFJCJK-KGLIPLIRSA-N 1 0 323.393 1.361 20 5 DDBDRO COC[C@@]1(C)CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000296695816 226135000 /nfs/dbraw/zinc/13/50/00/226135000.db2.gz METGVWBEINTYQI-BBRMVZONSA-N 1 0 324.377 1.693 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC000362644509 307023391 /nfs/dbraw/zinc/02/33/91/307023391.db2.gz RXULOAZCXQIHFN-ZWNOBZJWSA-N 1 0 307.350 1.417 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)n1 ZINC000360662145 418486121 /nfs/dbraw/zinc/48/61/21/418486121.db2.gz FEAOBPVJDNDGKJ-LBPRGKRZSA-N 1 0 321.381 1.298 20 5 DDBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N[C@H]1CC12CC[NH2+]CC2 ZINC000366565248 418491428 /nfs/dbraw/zinc/49/14/28/418491428.db2.gz ICXYBJFONHDDKK-AWEZNQCLSA-N 1 0 318.377 1.655 20 5 DDBDRO CC(C)OC[C@@H](O)C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000192989104 418527737 /nfs/dbraw/zinc/52/77/37/418527737.db2.gz HHPNSTAWAUIELR-INIZCTEOSA-N 1 0 323.393 1.503 20 5 DDBDRO O=[N+]([O-])c1ccn(CCN2CCOc3cccc(F)c3C2)n1 ZINC000374580894 418542603 /nfs/dbraw/zinc/54/26/03/418542603.db2.gz VSXVQGLPSMRIJW-UHFFFAOYSA-N 1 0 306.297 1.825 20 5 DDBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[NH+]1CCC1 ZINC000360939441 418550743 /nfs/dbraw/zinc/55/07/43/418550743.db2.gz XKJIFGOATLIOJK-CQSZACIVSA-N 1 0 305.378 1.985 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H](C)C[NH+]2CCCC2)n1 ZINC000191778238 222108888 /nfs/dbraw/zinc/10/88/88/222108888.db2.gz GRBMDOOIHHRUMO-LLVKDONJSA-N 1 0 309.370 1.273 20 5 DDBDRO O=C(N[C@@H]1C[C@@H]1C1CC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1F ZINC000361098968 418583117 /nfs/dbraw/zinc/58/31/17/418583117.db2.gz UZGUNRCXRSXVBW-TZMCWYRMSA-N 1 0 307.325 1.852 20 5 DDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000361125879 418587681 /nfs/dbraw/zinc/58/76/81/418587681.db2.gz UMGIWETTYCSOGX-LLVKDONJSA-N 1 0 304.350 1.487 20 5 DDBDRO Nc1ccc(N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c([N+](=O)[O-])c1 ZINC000367417696 418599553 /nfs/dbraw/zinc/59/95/53/418599553.db2.gz IGQNSSOVPQGSOY-UKRRQHHQSA-N 1 0 306.366 1.212 20 5 DDBDRO CC[N@H+](C[C@H](C)OC)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000291348786 222330039 /nfs/dbraw/zinc/33/00/39/222330039.db2.gz XQHMJHLNLMXWPD-JSGCOSHPSA-N 1 0 312.366 1.691 20 5 DDBDRO C[NH+](C)CCn1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)n1 ZINC000338825643 418620785 /nfs/dbraw/zinc/62/07/85/418620785.db2.gz UIRUNMBYKWMZFT-UHFFFAOYSA-N 1 0 303.322 1.605 20 5 DDBDRO CCn1c(CC[NH3+])nnc1Sc1c(F)cccc1[N+](=O)[O-] ZINC000342849670 418628941 /nfs/dbraw/zinc/62/89/41/418628941.db2.gz NPDHGHDUGOEOKN-UHFFFAOYSA-N 1 0 311.342 1.998 20 5 DDBDRO CS(=O)(=O)c1cccc(N[C@@H]2CC[C@@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC000382462642 418730322 /nfs/dbraw/zinc/73/03/22/418730322.db2.gz XJCVCFJPPZERNJ-NXEZZACHSA-N 1 0 313.379 1.538 20 5 DDBDRO C[NH+](C)C[C@](C)(O)CNc1nccc2cc([N+](=O)[O-])ccc21 ZINC000297417096 227139528 /nfs/dbraw/zinc/13/95/28/227139528.db2.gz GWVYUMJQERIQEW-OAHLLOKOSA-N 1 0 304.350 1.868 20 5 DDBDRO C[NH+](C)C/C=C/C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365927137 418923287 /nfs/dbraw/zinc/92/32/87/418923287.db2.gz IVBWLCIHWKDCQR-ONEGZZNKSA-N 1 0 307.354 1.073 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(-c2nc(C3([NH3+])CCCCC3)no2)n1 ZINC000424340771 228259809 /nfs/dbraw/zinc/25/98/09/228259809.db2.gz HPEVXTZGAWLPLB-UHFFFAOYSA-N 1 0 306.326 1.979 20 5 DDBDRO C[C@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H]1CO ZINC000411607709 419359860 /nfs/dbraw/zinc/35/98/60/419359860.db2.gz DFUYVQOBKFOFGS-FZMZJTMJSA-N 1 0 307.350 1.626 20 5 DDBDRO C[NH2+][C@@H]1CCCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000417942552 419404247 /nfs/dbraw/zinc/40/42/47/419404247.db2.gz OJSCPEAFWRXAKK-CYBMUJFWSA-N 1 0 306.366 1.531 20 5 DDBDRO C[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CCCC[C@H]1O ZINC000426208545 419406584 /nfs/dbraw/zinc/40/65/84/419406584.db2.gz DCHAZUAHTWZTGM-FVQBIDKESA-N 1 0 324.377 1.570 20 5 DDBDRO COc1ccc(OCC[N@@H+]2C[C@H](C)C[C@@H](CO)C2)c([N+](=O)[O-])c1 ZINC000420943301 419374651 /nfs/dbraw/zinc/37/46/51/419374651.db2.gz POQPOECQNYKBRA-CHWSQXEVSA-N 1 0 324.377 1.933 20 5 DDBDRO O=C(C[N@H+]1CCC[C@H]1CCO)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000426257556 419422245 /nfs/dbraw/zinc/42/22/45/419422245.db2.gz QCADBUBMOBOXEN-ZDUSSCGKSA-N 1 0 319.361 1.331 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CC[C@@]12CCOC2 ZINC000421010947 419449223 /nfs/dbraw/zinc/44/92/23/419449223.db2.gz DBFUSZYEFKYTHY-DOMZBBRYSA-N 1 0 308.334 1.199 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC[N@H+](CC)C2)n1 ZINC000427468311 419665234 /nfs/dbraw/zinc/66/52/34/419665234.db2.gz BGVXPIBDPLHFAU-LLVKDONJSA-N 1 0 309.370 1.273 20 5 DDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000418326775 419709022 /nfs/dbraw/zinc/70/90/22/419709022.db2.gz YHGFPJITWDTDRE-GFCCVEGCSA-N 1 0 306.366 1.736 20 5 DDBDRO O=C(N[C@H]1CC[NH2+]C1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000418357756 419737170 /nfs/dbraw/zinc/73/71/70/419737170.db2.gz ZJGWVGNEHPPPDY-LBPRGKRZSA-N 1 0 304.350 1.631 20 5 DDBDRO Cc1nn(C)c(NCCC[N@@H+]2CCCO[C@H](C)C2)c1[N+](=O)[O-] ZINC000432863578 229134263 /nfs/dbraw/zinc/13/42/63/229134263.db2.gz BAQRXEHSQNWHQZ-LLVKDONJSA-N 1 0 311.386 1.550 20 5 DDBDRO CN(Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C[C@H](O)C[NH3+] ZINC000415057990 419925080 /nfs/dbraw/zinc/92/50/80/419925080.db2.gz QTWXXCUYWSMXNS-CYBMUJFWSA-N 1 0 305.334 1.606 20 5 DDBDRO C[NH2+]C[C@@H](C)CN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000423279747 420001842 /nfs/dbraw/zinc/00/18/42/420001842.db2.gz TUEXSVVUQHHRGK-IUODEOHRSA-N 1 0 317.393 1.863 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000423476855 420058559 /nfs/dbraw/zinc/05/85/59/420058559.db2.gz SRUUXHKCECSHQR-MNOVXSKESA-N 1 0 307.350 1.803 20 5 DDBDRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000415428901 420060946 /nfs/dbraw/zinc/06/09/46/420060946.db2.gz PLOQAMXDVOZHPQ-NSHDSACASA-N 1 0 308.338 1.023 20 5 DDBDRO COc1ccc(NC(=O)N2CC[C@H]([C@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000415437535 420066888 /nfs/dbraw/zinc/06/68/88/420066888.db2.gz KRYPLOAHAIAJOD-UWVGGRQHSA-N 1 0 308.338 1.804 20 5 DDBDRO COC(=O)c1cc(NC(=O)NCCCC[NH3+])c(C)c([N+](=O)[O-])c1 ZINC000415597328 420120752 /nfs/dbraw/zinc/12/07/52/420120752.db2.gz JGHUSTRSVIMNBI-UHFFFAOYSA-N 1 0 324.337 1.550 20 5 DDBDRO C[C@@H]1CC[NH2+][C@H](C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000423718605 420140540 /nfs/dbraw/zinc/14/05/40/420140540.db2.gz CXONXMCEQWOESY-PELKAZGASA-N 1 0 303.322 1.798 20 5 DDBDRO C[C@H]1CC[NH2+][C@@H](C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000423718610 420140715 /nfs/dbraw/zinc/14/07/15/420140715.db2.gz CXONXMCEQWOESY-QPUJVOFHSA-N 1 0 303.322 1.798 20 5 DDBDRO COc1ccc(NC(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000415447764 420071465 /nfs/dbraw/zinc/07/14/65/420071465.db2.gz ULYGXTYEWRYIPP-NXEZZACHSA-N 1 0 308.338 1.852 20 5 DDBDRO COc1ccc(NC(=O)N[C@@H]2CC[NH2+][C@H](C)C2)cc1[N+](=O)[O-] ZINC000415452425 420072511 /nfs/dbraw/zinc/07/25/11/420072511.db2.gz YHFHQBXFRWJQRQ-MWLCHTKSSA-N 1 0 308.338 1.865 20 5 DDBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@H]1CNCCO1)C1CC1 ZINC000423578394 420087577 /nfs/dbraw/zinc/08/75/77/420087577.db2.gz UMOOUDSFUODQGW-CABCVRRESA-N 1 0 305.378 1.494 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000423593175 420091302 /nfs/dbraw/zinc/09/13/02/420091302.db2.gz MKUZLTGVQUTUTD-MNOVXSKESA-N 1 0 307.350 1.993 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1CN1CC[N@H+](CCO)[C@H](C)C1 ZINC000430220350 420092924 /nfs/dbraw/zinc/09/29/24/420092924.db2.gz PONVLIBKROVKEB-GFCCVEGCSA-N 1 0 309.366 1.102 20 5 DDBDRO Cc1c(NC(=O)[C@H](C)N2C[C@@H](C)[NH2+][C@H](C)C2)cccc1[N+](=O)[O-] ZINC000430928405 420210953 /nfs/dbraw/zinc/21/09/53/420210953.db2.gz LIVVSEGQJKQHJI-WZRBSPASSA-N 1 0 320.393 1.912 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[C@H](C[NH3+])C2)c1 ZINC000423751223 420161296 /nfs/dbraw/zinc/16/12/96/420161296.db2.gz VQAODOVUQFPGNK-QWRGUYRKSA-N 1 0 307.350 1.851 20 5 DDBDRO CC1(C)CCC[NH2+][C@H]1CNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000430632106 420165210 /nfs/dbraw/zinc/16/52/10/420165210.db2.gz WOKRREXESUXPTN-LBPRGKRZSA-N 1 0 306.366 1.685 20 5 DDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000415764168 420169003 /nfs/dbraw/zinc/16/90/03/420169003.db2.gz PJUAQBNCPUDDLN-CYBMUJFWSA-N 1 0 322.365 1.657 20 5 DDBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC(C[NH3+])CC1 ZINC000430645149 420169372 /nfs/dbraw/zinc/16/93/72/420169372.db2.gz OASRQZHVGUSENI-NSHDSACASA-N 1 0 306.366 1.593 20 5 DDBDRO CC[C@H]([NH3+])CNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000415791206 420177391 /nfs/dbraw/zinc/17/73/91/420177391.db2.gz RGGHEASZXZIQQF-ZETCQYMHSA-N 1 0 314.729 1.040 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](C[NH3+])C(C)(C)C ZINC000420363526 420239584 /nfs/dbraw/zinc/23/95/84/420239584.db2.gz NYIUGDLQBHHSLI-ZDUSSCGKSA-N 1 0 308.382 1.805 20 5 DDBDRO C[C@H](N[C@H]1[C@@H](C)[NH2+]CC[C@@H]1C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000420369706 420242246 /nfs/dbraw/zinc/24/22/46/420242246.db2.gz OKQWMVCZHKBAPI-OZTPJHRESA-N 1 0 320.393 1.898 20 5 DDBDRO CN(C(=O)Cc1ccc([N+](=O)[O-])cc1Cl)[C@H](C[NH3+])C1CC1 ZINC000423940835 420277125 /nfs/dbraw/zinc/27/71/25/420277125.db2.gz BJRVLOAOCYLNKZ-CYBMUJFWSA-N 1 0 311.769 1.986 20 5 DDBDRO CS[C@@H]1CN(c2c(C(N)=O)cccc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000420598121 420326945 /nfs/dbraw/zinc/32/69/45/420326945.db2.gz BOWADWBAMBMFQR-VXGBXAGGSA-N 1 0 324.406 1.176 20 5 DDBDRO CCc1ccccc1[C@H]([NH3+])CNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000423983783 420292164 /nfs/dbraw/zinc/29/21/64/420292164.db2.gz TZMOZDJFQAIGQB-CYBMUJFWSA-N 1 0 317.349 1.170 20 5 DDBDRO [NH3+]CCCCNC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000417721599 420460127 /nfs/dbraw/zinc/46/01/27/420460127.db2.gz UDHJWOUXCPZIEO-UHFFFAOYSA-N 1 0 308.382 1.956 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])c(N[C@@H]2CCC[N@H+](CCCO)C2)n1 ZINC000450614360 420499670 /nfs/dbraw/zinc/49/96/70/420499670.db2.gz MZHZANWMBJKGJT-CYBMUJFWSA-N 1 0 308.382 1.865 20 5 DDBDRO C[C@@H]1CN(C(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])C[C@@H](C)[NH2+]1 ZINC000493086668 420753836 /nfs/dbraw/zinc/75/38/36/420753836.db2.gz ADOJPIGHSMAIRZ-DPIUTZRQSA-N 1 0 307.325 1.956 20 5 DDBDRO CC(C)C(=O)NCC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447515134 420777836 /nfs/dbraw/zinc/77/78/36/420777836.db2.gz AZGLCZFUCLKBLA-STQMWFEESA-N 1 0 323.397 1.637 20 5 DDBDRO COc1ccc(CNC(=O)NC[C@H](C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000454292552 420831556 /nfs/dbraw/zinc/83/15/56/420831556.db2.gz ACLYLKAJSGHYEN-JTQLQIEISA-N 1 0 310.354 1.353 20 5 DDBDRO C[C@H]1C[C@H]1C[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000488414977 421088220 /nfs/dbraw/zinc/08/82/20/421088220.db2.gz GCWMTSBBMIQQMS-QWRGUYRKSA-N 1 0 313.379 1.119 20 5 DDBDRO C[NH+](C)CC1(CNC(=O)c2ccc([N+](=O)[O-])cn2)CCCC1 ZINC000544712716 421228908 /nfs/dbraw/zinc/22/89/08/421228908.db2.gz CXCRUNOZZSASBH-UHFFFAOYSA-N 1 0 306.366 1.842 20 5 DDBDRO C[C@H]1CC[N@H+](CCNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000524775297 421270820 /nfs/dbraw/zinc/27/08/20/421270820.db2.gz DJGNFEGJRVSCJP-VIFPVBQESA-N 1 0 310.329 1.388 20 5 DDBDRO C[C@@]1(CO)CCC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000546104470 421285069 /nfs/dbraw/zinc/28/50/69/421285069.db2.gz KHFGXGRUUMSMHX-HIFRSBDPSA-N 1 0 310.350 1.181 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000517024693 421589317 /nfs/dbraw/zinc/58/93/17/421589317.db2.gz CVMLXPOGZHKCSU-NWDGAFQWSA-N 1 0 309.370 1.124 20 5 DDBDRO C[C@@H](NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)[C@H]1CCC[NH2+]C1 ZINC000516174801 421530572 /nfs/dbraw/zinc/53/05/72/421530572.db2.gz YAYOOUWAWYFBGC-ZJUUUORDSA-N 1 0 321.333 1.441 20 5 DDBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000571512965 421721527 /nfs/dbraw/zinc/72/15/27/421721527.db2.gz ZGZJERIJVSQVSM-CQSZACIVSA-N 1 0 306.366 1.830 20 5 DDBDRO COc1cc(C)cc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000571551599 421725398 /nfs/dbraw/zinc/72/53/98/421725398.db2.gz FTIJSZDNJZUIQL-AWEZNQCLSA-N 1 0 320.349 1.259 20 5 DDBDRO C[NH2+]C1CCN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CC1 ZINC000574689797 422159101 /nfs/dbraw/zinc/15/91/01/422159101.db2.gz YZVGSMRDMVODBA-UHFFFAOYSA-N 1 0 321.333 1.190 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CCc2cccnc2)c1 ZINC000574547962 422130009 /nfs/dbraw/zinc/13/00/09/422130009.db2.gz VZJSLCBBZZWPSD-HNNXBMFYSA-N 1 0 317.345 1.562 20 5 DDBDRO COC(=O)c1cc(C)nc(NC[C@@H]2CCCC[NH2+]2)c1[N+](=O)[O-] ZINC000591430139 422326417 /nfs/dbraw/zinc/32/64/17/422326417.db2.gz YQARZYPQTNMGSX-JTQLQIEISA-N 1 0 308.338 1.639 20 5 DDBDRO Cc1ccc(NC(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000577633704 422398184 /nfs/dbraw/zinc/39/81/84/422398184.db2.gz USUBCRKSHUMNNC-NXEZZACHSA-N 1 0 308.338 1.084 20 5 DDBDRO CO[C@@H]1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000322281642 271029830 /nfs/dbraw/zinc/02/98/30/271029830.db2.gz VDMXUNSAZRUJJP-HYLRALAJSA-N 1 0 319.361 1.573 20 5 DDBDRO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])n1C)[N@@H+]1CCCC[C@@H]1C ZINC000343076665 271636422 /nfs/dbraw/zinc/63/64/22/271636422.db2.gz NHECTAVUUKKFOV-RYUDHWBXSA-N 1 0 308.382 1.926 20 5 DDBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CCS(=O)(=O)C1 ZINC000344790477 272118783 /nfs/dbraw/zinc/11/87/83/272118783.db2.gz JDNNYXMECXEMQE-HJTPGIPUSA-N 1 0 310.375 1.775 20 5 DDBDRO COCC[N@@H+]1CC[C@@H](NC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000345764800 272329649 /nfs/dbraw/zinc/32/96/49/272329649.db2.gz DVYAOAGINRHOQW-GFCCVEGCSA-N 1 0 322.365 1.745 20 5 DDBDRO C[NH+](C)C[C@H]1CN(c2nccc3c2cccc3[N+](=O)[O-])CCO1 ZINC000450321888 273802077 /nfs/dbraw/zinc/80/20/77/273802077.db2.gz VTMABRBLIDNMLW-LBPRGKRZSA-N 1 0 316.361 1.910 20 5 DDBDRO C[C@@H](CO)[C@H](C)[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000295769895 274228996 /nfs/dbraw/zinc/22/89/96/274228996.db2.gz PUCZKQHHYOAYLL-QWRGUYRKSA-N 1 0 307.350 1.090 20 5 DDBDRO O=C(C[NH2+]C[C@H]1CCCO1)NCCc1ccccc1[N+](=O)[O-] ZINC000269208542 274975693 /nfs/dbraw/zinc/97/56/93/274975693.db2.gz FXTJDZLQYAPXGH-CYBMUJFWSA-N 1 0 307.350 1.022 20 5 DDBDRO CCC[C@H]([NH3+])C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000236828856 276042817 /nfs/dbraw/zinc/04/28/17/276042817.db2.gz UZUJRXYFSOVOOR-LBPRGKRZSA-N 1 0 306.366 1.371 20 5 DDBDRO CC[N@@H+]1CC[C@@H](CNC(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])C1 ZINC000269350268 276212433 /nfs/dbraw/zinc/21/24/33/276212433.db2.gz GHJDKIJYEOLNSI-JTQLQIEISA-N 1 0 309.370 1.513 20 5 DDBDRO C[N@@H+]1CC[C@H]2CCN(c3ccc([N+](=O)[O-])c4nonc43)[C@H]2C1 ZINC000272188276 277178436 /nfs/dbraw/zinc/17/84/36/277178436.db2.gz LOSVBPJDZDEBNU-CABZTGNLSA-N 1 0 303.322 1.661 20 5 DDBDRO CNS(=O)(=O)CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000187186051 277289055 /nfs/dbraw/zinc/28/90/55/277289055.db2.gz KZAVDZXGOFMGMA-SNVBAGLBSA-N 1 0 301.368 1.103 20 5 DDBDRO C[NH2+][C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000422772633 277299984 /nfs/dbraw/zinc/29/99/84/277299984.db2.gz SPXOBHSPTSFIBG-NSHDSACASA-N 1 0 314.345 1.967 20 5 DDBDRO C[C@H]1C[C@@H](C[NH3+])CN1S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000261623985 278475043 /nfs/dbraw/zinc/47/50/43/278475043.db2.gz GUSZINLIMOZGSF-IUCAKERBSA-N 1 0 317.342 1.092 20 5 DDBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1c([N+](=O)[O-])cnn1C ZINC000408121484 279115677 /nfs/dbraw/zinc/11/56/77/279115677.db2.gz ODBQZITVONVRHH-GHMZBOCLSA-N 1 0 307.354 1.027 20 5 DDBDRO C[C@H](CCC[NH3+])NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000313674133 279256268 /nfs/dbraw/zinc/25/62/68/279256268.db2.gz NWDWQZMGTLAAOZ-MRVPVSSYSA-N 1 0 321.786 1.654 20 5 DDBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCC[NH2+]CC1 ZINC000019998595 280358506 /nfs/dbraw/zinc/35/85/06/280358506.db2.gz SDELARCGESTUOI-UHFFFAOYSA-N 1 0 319.770 1.232 20 5 DDBDRO C[C@@H](CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)C[NH+](C)C ZINC000573431773 304595149 /nfs/dbraw/zinc/59/51/49/304595149.db2.gz KXGWUPXEKNQEGL-VIFPVBQESA-N 1 0 309.322 1.251 20 5 DDBDRO CC(C)(C)OC(=O)[C@@](C)(O)C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000362083364 300002368 /nfs/dbraw/zinc/00/23/68/300002368.db2.gz AAPUJRHYZIDFQL-HNNXBMFYSA-N 1 0 310.350 1.777 20 5 DDBDRO COC(=O)C[C@@]1([NH2+]CCOc2cccc([N+](=O)[O-])c2)CCOC1 ZINC000362276964 300042351 /nfs/dbraw/zinc/04/23/51/300042351.db2.gz DGICKLBTLCXYMN-HNNXBMFYSA-N 1 0 324.333 1.285 20 5 DDBDRO COCCO[C@H]1COCC[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000362515665 300083711 /nfs/dbraw/zinc/08/37/11/300083711.db2.gz ITONMCAIUZJNHW-CABCVRRESA-N 1 0 310.350 1.505 20 5 DDBDRO O=C(CCn1cc([N+](=O)[O-])cn1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000363486547 300275664 /nfs/dbraw/zinc/27/56/64/300275664.db2.gz HEGQSONNFHEVMN-CYBMUJFWSA-N 1 0 321.381 1.268 20 5 DDBDRO [NH3+][C@H]1CCC[C@]12CCN(C(=O)COc1ccc([N+](=O)[O-])cc1)C2 ZINC000364262344 300364814 /nfs/dbraw/zinc/36/48/14/300364814.db2.gz VMWPPNKXSWBKNY-GOEBONIOSA-N 1 0 319.361 1.704 20 5 DDBDRO O=C(C[C@@H]1CCC[NH2+]CC1)NCCNc1ccccc1[N+](=O)[O-] ZINC000364464625 300400809 /nfs/dbraw/zinc/40/08/09/300400809.db2.gz HONLOOJBKLMYHL-CYBMUJFWSA-N 1 0 320.393 1.903 20 5 DDBDRO COc1ccc(C[NH2+][C@H]2CCC(=O)N[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000367062029 300794935 /nfs/dbraw/zinc/79/49/35/300794935.db2.gz JESCTCWKCPULCO-LRDDRELGSA-N 1 0 319.361 1.750 20 5 DDBDRO Cn1cc(N2CC[C@H]([NH2+]Cc3ccccc3[N+](=O)[O-])C2)cn1 ZINC000367702515 300872939 /nfs/dbraw/zinc/87/29/39/300872939.db2.gz WLFBMAZJWUSNTC-ZDUSSCGKSA-N 1 0 301.350 1.697 20 5 DDBDRO CN(CC(=O)N[C@@H]1CC12CC[NH2+]CC2)c1ccccc1[N+](=O)[O-] ZINC000368137483 300962035 /nfs/dbraw/zinc/96/20/35/300962035.db2.gz AGHYKKZVHOLEOU-CQSZACIVSA-N 1 0 318.377 1.289 20 5 DDBDRO C[NH+]1CCC(N2CC[C@@H](NC(=O)c3ccc([N+](=O)[O-])o3)C2)CC1 ZINC000369279145 301155584 /nfs/dbraw/zinc/15/55/84/301155584.db2.gz VVTKLTZKVHROOT-LLVKDONJSA-N 1 0 322.365 1.086 20 5 DDBDRO CC(C)[N@@H+]1CCO[C@H](C(=O)N(C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000370534659 301358845 /nfs/dbraw/zinc/35/88/45/301358845.db2.gz GJOWKVSBXJJYHL-HNNXBMFYSA-N 1 0 321.377 1.662 20 5 DDBDRO COC[C@H](O)C[N@H+]1CC=C(c2cc(C)c(N)c([N+](=O)[O-])c2)CC1 ZINC000370873998 301399158 /nfs/dbraw/zinc/39/91/58/301399158.db2.gz WRUUKVJQAGMCSL-CQSZACIVSA-N 1 0 321.377 1.582 20 5 DDBDRO CCN1C(=O)[C@H]2CN(Cc3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000375860389 302006202 /nfs/dbraw/zinc/00/62/02/302006202.db2.gz MWXABWVHXUISQU-CYBMUJFWSA-N 1 0 318.333 1.063 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000262808407 302050267 /nfs/dbraw/zinc/05/02/67/302050267.db2.gz XNIHRYPAAWKSAO-MNOVXSKESA-N 1 0 313.379 1.180 20 5 DDBDRO C[C@@H]1C[C@@H](C)N(CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000397308877 302353595 /nfs/dbraw/zinc/35/35/95/302353595.db2.gz IBJROYVSOFDTPI-UPJWGTAASA-N 1 0 320.393 1.839 20 5 DDBDRO CC1CC[NH+](CCCCNC(=O)c2cc([N+](=O)[O-])nn2C)CC1 ZINC000356148079 306838886 /nfs/dbraw/zinc/83/88/86/306838886.db2.gz KZJLPLMWBTZJIF-UHFFFAOYSA-N 1 0 323.397 1.570 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000535040094 303341429 /nfs/dbraw/zinc/34/14/29/303341429.db2.gz NBAQSABEUQPUQY-UHFFFAOYSA-N 1 0 309.370 1.275 20 5 DDBDRO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000537718840 303378472 /nfs/dbraw/zinc/37/84/72/303378472.db2.gz OSDPKESFWUGPNI-LBPRGKRZSA-N 1 0 324.381 1.121 20 5 DDBDRO NC(=O)c1ccnc(NC2CC([NH+]3CCCCC3)C2)c1[N+](=O)[O-] ZINC000357684360 306906389 /nfs/dbraw/zinc/90/63/89/306906389.db2.gz XBQDNKDGCSSXIX-UHFFFAOYSA-N 1 0 319.365 1.518 20 5 DDBDRO Cc1c(CNC(=O)NCC2CC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000561203422 303834919 /nfs/dbraw/zinc/83/49/19/303834919.db2.gz YCPPMRHGRVRERC-UHFFFAOYSA-N 1 0 306.366 1.702 20 5 DDBDRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000563165046 303927798 /nfs/dbraw/zinc/92/77/98/303927798.db2.gz ZYRYPSSNFFZIIW-WPRPVWTQSA-N 1 0 307.306 1.051 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)c1 ZINC000365350935 307065587 /nfs/dbraw/zinc/06/55/87/307065587.db2.gz AMHMORPTJFAAIY-MFKMUULPSA-N 1 0 305.334 1.427 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1CN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000366633687 307078069 /nfs/dbraw/zinc/07/80/69/307078069.db2.gz CKYCFGSEKRTCIW-TZMCWYRMSA-N 1 0 319.409 1.777 20 5 DDBDRO CCc1ccc([C@@H]2C[NH2+]CCN2C(=O)[C@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC000367141641 307086930 /nfs/dbraw/zinc/08/69/30/307086930.db2.gz VAYSYXQKPWNJSG-ZNMIVQPWSA-N 1 0 303.362 1.387 20 5 DDBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000368532930 307104673 /nfs/dbraw/zinc/10/46/73/307104673.db2.gz RNWZKSJSNFMRTF-KBPBESRZSA-N 1 0 306.366 1.334 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000368793277 307109906 /nfs/dbraw/zinc/10/99/06/307109906.db2.gz URGHSFCMPWFLND-OAHLLOKOSA-N 1 0 321.377 1.648 20 5 DDBDRO C[C@H]1CCC[N@@H+]1C1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000370888502 307139142 /nfs/dbraw/zinc/13/91/42/307139142.db2.gz HNSGKCOPMKZXFZ-LBPRGKRZSA-N 1 0 321.381 1.267 20 5 DDBDRO O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000376682845 307253401 /nfs/dbraw/zinc/25/34/01/307253401.db2.gz VZXAQRPEQPMCIO-NOZJJQNGSA-N 1 0 320.305 1.327 20 5 DDBDRO Cc1sc(C(=O)NCCOCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000539782614 307682762 /nfs/dbraw/zinc/68/27/62/307682762.db2.gz VYUSJGCJPWIIPG-UHFFFAOYSA-N 1 0 301.368 1.273 20 5 DDBDRO COc1ccc(CNC(=O)CCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000557042702 307862182 /nfs/dbraw/zinc/86/21/82/307862182.db2.gz WRLQQPLSWJYILY-UHFFFAOYSA-N 1 0 309.366 1.952 20 5 DDBDRO C[C@@H]1CC[C@H](C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])O1 ZINC000567697064 308091809 /nfs/dbraw/zinc/09/18/09/308091809.db2.gz NVEOALUZMPSOKJ-JHJVBQTASA-N 1 0 310.350 1.492 20 5 DDBDRO Cc1c(NC(=O)C(=O)N2CCC[C@@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000570811064 308181151 /nfs/dbraw/zinc/18/11/51/308181151.db2.gz KDRPMSZWLAKBCV-NSHDSACASA-N 1 0 320.349 1.039 20 5 DDBDRO CN(C(=O)NCCOc1ccc([N+](=O)[O-])cc1)C1CC([NH3+])C1 ZINC000573548152 308244260 /nfs/dbraw/zinc/24/42/60/308244260.db2.gz DRWWNZYBNWTDDI-UHFFFAOYSA-N 1 0 308.338 1.105 20 5 DDBDRO Cc1ccc(NC(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000577633706 308403993 /nfs/dbraw/zinc/40/39/93/308403993.db2.gz USUBCRKSHUMNNC-VHSXEESVSA-N 1 0 308.338 1.084 20 5 DDBDRO CNc1ccc(C(=O)N[C@@H]2CC[NH2+]CC2(C)C)cc1[N+](=O)[O-] ZINC000577823209 308416023 /nfs/dbraw/zinc/41/60/23/308416023.db2.gz WRMWGYZQNKQBPO-CYBMUJFWSA-N 1 0 306.366 1.754 20 5 DDBDRO CC(C)[NH2+]C1(CO)CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000580783314 308631236 /nfs/dbraw/zinc/63/12/36/308631236.db2.gz PMRIWCDPTSGYES-UHFFFAOYSA-N 1 0 307.394 1.920 20 5 DDBDRO Cc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000382455455 325745083 /nfs/dbraw/zinc/74/50/83/325745083.db2.gz ITDWIVGONGLNTN-MNOVXSKESA-N 1 0 313.379 1.309 20 5 DDBDRO CC[N@H+](C)C[C@@H](O)CN1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000583478472 333366883 /nfs/dbraw/zinc/36/68/83/333366883.db2.gz HNPUETNPTIWQKD-CQSZACIVSA-N 1 0 322.409 1.029 20 5 DDBDRO CN1CCC[C@@H]([NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1=O ZINC000584505431 337350750 /nfs/dbraw/zinc/35/07/50/337350750.db2.gz JKYYAFCOKREHNR-GFCCVEGCSA-N 1 0 307.354 1.049 20 5 DDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CCO[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000584649407 337380565 /nfs/dbraw/zinc/38/05/65/337380565.db2.gz INEGSBQGXVAGSR-NWDGAFQWSA-N 1 0 309.370 1.029 20 5 DDBDRO COC(=O)c1cc(C(=O)NC[C@@H]2CCC[NH2+]C2)cc([N+](=O)[O-])c1 ZINC000422757086 533736230 /nfs/dbraw/zinc/73/62/30/533736230.db2.gz JLAWAMAXRCTKQS-SNVBAGLBSA-N 1 0 321.333 1.111 20 5 DDBDRO Cc1c(CC(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000423653058 533837741 /nfs/dbraw/zinc/83/77/41/533837741.db2.gz YADYMCFAPNMEHO-LSDHHAIUSA-N 1 0 317.389 1.950 20 5 DDBDRO COc1cc(C[NH2+][C@H]2CCC[C@@H](CO)C2)c([N+](=O)[O-])cc1O ZINC000414572659 533906908 /nfs/dbraw/zinc/90/69/08/533906908.db2.gz LODZMVCTYDMASO-PWSUYJOCSA-N 1 0 310.350 1.950 20 5 DDBDRO CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000451587829 527825673 /nfs/dbraw/zinc/82/56/73/527825673.db2.gz CVEDXBWUKWECRE-NEPJUHHUSA-N 1 0 310.354 1.503 20 5 DDBDRO CCOC(=O)c1cc(C(=O)N2CC[NH2+]C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000422750179 528140523 /nfs/dbraw/zinc/14/05/23/528140523.db2.gz CIOWPPFPECNUAG-JTQLQIEISA-N 1 0 321.333 1.205 20 5 DDBDRO CCCc1n[nH]c(C(=O)N2CCC(C[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000330869323 528544112 /nfs/dbraw/zinc/54/41/12/528544112.db2.gz SVCARIUYRQCBNK-UHFFFAOYSA-N 1 0 323.397 1.684 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCC([NH2+]C)CC2)c1 ZINC000422822624 528611220 /nfs/dbraw/zinc/61/12/20/528611220.db2.gz KHPIQSTUNCFZJV-UHFFFAOYSA-N 1 0 307.350 1.818 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000422839736 528692446 /nfs/dbraw/zinc/69/24/46/528692446.db2.gz AGRLZVGPGWGMTH-MNOVXSKESA-N 1 0 307.350 1.803 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000422761109 528693479 /nfs/dbraw/zinc/69/34/79/528693479.db2.gz MNQXLQFJZKFWIV-NSHDSACASA-N 1 0 307.350 1.723 20 5 DDBDRO CCC([NH3+])(CC)CNC(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000417203144 528937292 /nfs/dbraw/zinc/93/72/92/528937292.db2.gz YHMYLOHVCRKCGO-UHFFFAOYSA-N 1 0 324.381 1.920 20 5 DDBDRO C[C@@H]1CCC[N@@H+]1CCNc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000820716762 599083838 /nfs/dbraw/zinc/08/38/38/599083838.db2.gz LADFTAIGWDTANV-SNVBAGLBSA-N 1 0 317.353 1.671 20 5 DDBDRO C[C@H]1CN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000820770246 606804155 /nfs/dbraw/zinc/80/41/55/606804155.db2.gz ZXKHRZLCIRHXKF-ZANVPECISA-N 1 0 317.353 1.161 20 5 DDBDRO C[NH+](C)[C@@H]1CCCN(S(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000119746088 696684824 /nfs/dbraw/zinc/68/48/24/696684824.db2.gz UIRVXOJZUVZIDO-SECBINFHSA-N 1 0 319.408 1.371 20 5 DDBDRO COCC[N@H+](C)CCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000126346316 696761250 /nfs/dbraw/zinc/76/12/50/696761250.db2.gz KYKUJARKLMRXNQ-UHFFFAOYSA-N 1 0 312.326 1.883 20 5 DDBDRO COc1cc(C(=O)N2CCC23CC[NH+](C)CC3)ccc1[N+](=O)[O-] ZINC000748320226 700110204 /nfs/dbraw/zinc/11/02/04/700110204.db2.gz ABFPDUSKSNPJLP-UHFFFAOYSA-N 1 0 319.361 1.914 20 5 DDBDRO CC[N@@H+]1CC[C@H](CNC(=O)c2cc(C)cc([N+](=O)[O-])c2N)C1 ZINC000175317577 697395842 /nfs/dbraw/zinc/39/58/42/697395842.db2.gz AYVYSOPCWRDMPW-LLVKDONJSA-N 1 0 306.366 1.557 20 5 DDBDRO C[NH+](C)C1CC(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000773486859 697767210 /nfs/dbraw/zinc/76/72/10/697767210.db2.gz KLPKHHYDAAQTRV-UHFFFAOYSA-N 1 0 308.294 1.325 20 5 DDBDRO CCS(=O)(=O)CCC[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000231885878 697787584 /nfs/dbraw/zinc/78/75/84/697787584.db2.gz DHAJWRMMYRZNBT-UHFFFAOYSA-N 1 0 300.380 1.818 20 5 DDBDRO CCn1cc(C[N@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000776275239 698090752 /nfs/dbraw/zinc/09/07/52/698090752.db2.gz GAHJCOXVCAIFJQ-HNNXBMFYSA-N 1 0 304.350 1.977 20 5 DDBDRO C[NH+]1CCC2(CCN2C(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000776504959 698111658 /nfs/dbraw/zinc/11/16/58/698111658.db2.gz CVYDDGBGOZMEDO-UHFFFAOYSA-N 1 0 318.377 1.703 20 5 DDBDRO CNC(=O)C1([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000776593696 698124306 /nfs/dbraw/zinc/12/43/06/698124306.db2.gz WHTGUXQRTWODCK-CYBMUJFWSA-N 1 0 307.350 1.277 20 5 DDBDRO O=[N+]([O-])c1cnn(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000246383717 698348411 /nfs/dbraw/zinc/34/84/11/698348411.db2.gz OVAIUKVHOSXOKK-SWLSCSKDSA-N 1 0 305.382 1.698 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@H](CO)C2CCOCC2)c1 ZINC000782528473 698734211 /nfs/dbraw/zinc/73/42/11/698734211.db2.gz OAVFIEKYTCJJKC-CABCVRRESA-N 1 0 310.350 1.005 20 5 DDBDRO C[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)S(C)(=O)=O ZINC000783650035 698864997 /nfs/dbraw/zinc/86/49/97/698864997.db2.gz KLACKJSWMUXABT-MRVPVSSYSA-N 1 0 306.771 1.771 20 5 DDBDRO COc1ccc(OCCN2CC[C@]3(CCC[NH2+]3)C2)c([N+](=O)[O-])c1 ZINC000420402196 699139193 /nfs/dbraw/zinc/13/91/93/699139193.db2.gz LRPBLGRIVJCZPJ-MRXNPFEDSA-N 1 0 321.377 1.810 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CC[C@@H]2CCCS2)c1 ZINC000715807383 699277244 /nfs/dbraw/zinc/27/72/44/699277244.db2.gz SHWBHKZIMSRZFC-RYUDHWBXSA-N 1 0 300.384 1.028 20 5 DDBDRO [NH3+]C1(CO)CCN(c2nc3ccc([N+](=O)[O-])cc3s2)CC1 ZINC000733895483 699622266 /nfs/dbraw/zinc/62/22/66/699622266.db2.gz GBQPVXPBWXPKRK-UHFFFAOYSA-N 1 0 308.363 1.495 20 5 DDBDRO C[NH+](C)C[C@@H]1CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000733980914 699630361 /nfs/dbraw/zinc/63/03/61/699630361.db2.gz QGRNPEMSTGLOPT-ZDUSSCGKSA-N 1 0 321.377 1.774 20 5 DDBDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000794576585 699817538 /nfs/dbraw/zinc/81/75/38/699817538.db2.gz KOZYBHYTBVIACK-HZSPNIEDSA-N 1 0 307.350 1.133 20 5 DDBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H](CO)[C@H]2CCOC2)cc1Cl ZINC000796009254 699906639 /nfs/dbraw/zinc/90/66/39/699906639.db2.gz RTHFVWJGVQFCME-RYUDHWBXSA-N 1 0 314.769 1.983 20 5 DDBDRO CC(C)(C)[NH2+]CCNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000743482398 699914364 /nfs/dbraw/zinc/91/43/64/699914364.db2.gz JWJAHJDUQYVVFC-UHFFFAOYSA-N 1 0 319.365 1.449 20 5 DDBDRO COC[C@](C)(CC(=O)OC)[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000801523424 700316895 /nfs/dbraw/zinc/31/68/95/700316895.db2.gz HICXGVFNRROHKE-AWEZNQCLSA-N 1 0 314.313 1.792 20 5 DDBDRO COC(=O)/C=C/c1ccc(N[C@H](CO)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000809341506 701659483 /nfs/dbraw/zinc/65/94/83/701659483.db2.gz SDYCSOQEHRRZKC-PZBABLGHSA-N 1 0 323.349 1.115 20 5 DDBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[N@H+](C)[C@H](C)C1 ZINC000761077097 700840212 /nfs/dbraw/zinc/84/02/12/700840212.db2.gz MWUKMYPUXFOCSA-VXGBXAGGSA-N 1 0 306.366 1.558 20 5 DDBDRO C[NH+](C)C[C@@H](O)CNc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000761197531 700849336 /nfs/dbraw/zinc/84/93/36/700849336.db2.gz IYXKXJHIIJOGII-ZDUSSCGKSA-N 1 0 316.361 1.991 20 5 DDBDRO NC(=O)C1([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000761510558 700862183 /nfs/dbraw/zinc/86/21/83/700862183.db2.gz JNOPLQIENSDTEV-UHFFFAOYSA-N 1 0 304.350 1.171 20 5 DDBDRO C[C@@H]1C[C@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CN1C1CC1 ZINC000765847418 701028845 /nfs/dbraw/zinc/02/88/45/701028845.db2.gz CHICXOHPGOLBCJ-FFSVYQOJSA-N 1 0 305.378 1.843 20 5 DDBDRO COC[C@@](C)(O)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000765939262 701030806 /nfs/dbraw/zinc/03/08/06/701030806.db2.gz SDKHBUKSGRAWCH-INIZCTEOSA-N 1 0 323.393 1.551 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NC[C@@H](O)C[NH+](C)C ZINC000804344487 701181310 /nfs/dbraw/zinc/18/13/10/701181310.db2.gz TTYIVXTZJKGPGZ-SNVBAGLBSA-N 1 0 311.338 1.024 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1-c1noc(CCCC[NH+]2CCCC2)n1 ZINC000771384437 701317868 /nfs/dbraw/zinc/31/78/68/701317868.db2.gz VJADFKPIYTZPOR-UHFFFAOYSA-N 1 0 320.353 1.797 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](CCO)C1CC1 ZINC000771806287 701331675 /nfs/dbraw/zinc/33/16/75/701331675.db2.gz VEPGHMNCYXTXOI-CQSZACIVSA-N 1 0 307.350 1.592 20 5 DDBDRO O=C(C[NH2+][C@@H](CO)C1CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000771812087 701332359 /nfs/dbraw/zinc/33/23/59/701332359.db2.gz HHEPDTTVORDCGR-NSHDSACASA-N 1 0 313.741 1.547 20 5 DDBDRO Cc1nn(C[N@@H+]2CC[C@@H](CC(N)=O)C2)c2cc([N+](=O)[O-])ccc12 ZINC000808229340 701509617 /nfs/dbraw/zinc/50/96/17/701509617.db2.gz QGKRQZFIDXWJKF-NSHDSACASA-N 1 0 317.349 1.408 20 5 DDBDRO CN(C)c1ncccc1C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000808386560 701516206 /nfs/dbraw/zinc/51/62/06/701516206.db2.gz AUXKKGNPTHLJRX-OAHLLOKOSA-N 1 0 316.361 1.879 20 5 DDBDRO C[C@@H]([NH2+]CCC1(O)CCOCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815624558 701905459 /nfs/dbraw/zinc/90/54/59/701905459.db2.gz CBPCCZTYTLXEMV-LLVKDONJSA-N 1 0 309.366 1.759 20 5 DDBDRO CON(C)C(=O)CNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000817127754 702280195 /nfs/dbraw/zinc/28/01/95/702280195.db2.gz XTOXPMNOELOTGE-UHFFFAOYSA-N 1 0 304.306 1.305 20 5 DDBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000831217916 706660113 /nfs/dbraw/zinc/66/01/13/706660113.db2.gz OAEBDBWJIQBWQK-SMDDNHRTSA-N 1 0 309.753 1.864 20 5 DDBDRO CNC(=O)[C@@H]1CC[N@H+](Cn2nc(C)c3cc([N+](=O)[O-])ccc32)C1 ZINC000817369796 702356883 /nfs/dbraw/zinc/35/68/83/702356883.db2.gz CKVRLOHFHLVLCW-LLVKDONJSA-N 1 0 317.349 1.278 20 5 DDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000813635678 702388502 /nfs/dbraw/zinc/38/85/02/702388502.db2.gz BOYYUGPEEXVCTC-INIZCTEOSA-N 1 0 318.377 1.486 20 5 DDBDRO O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000818014975 702554474 /nfs/dbraw/zinc/55/44/74/702554474.db2.gz GMZQZKJTWZZCMJ-CQSZACIVSA-N 1 0 320.305 1.471 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1OS(=O)(=O)CCC[NH+](C)C ZINC000866406625 706691166 /nfs/dbraw/zinc/69/11/66/706691166.db2.gz FIAGDUJHHNOFEC-UHFFFAOYSA-N 1 0 318.351 1.264 20 5 DDBDRO O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[C@]3(CCC[NH2+]3)C2)c1 ZINC000842484744 702727769 /nfs/dbraw/zinc/72/77/69/702727769.db2.gz RBBRGSLKQAKRKU-CYBMUJFWSA-N 1 0 311.363 1.111 20 5 DDBDRO C[NH2+]C[C@H](C)c1noc(CN(C)c2ccccc2[N+](=O)[O-])n1 ZINC000842582277 702736565 /nfs/dbraw/zinc/73/65/65/702736565.db2.gz XXAFZCJBHFOKPN-JTQLQIEISA-N 1 0 305.338 1.937 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@H](CO)Cc2ccco2)cc1 ZINC000843059149 702809974 /nfs/dbraw/zinc/80/99/74/702809974.db2.gz GASXICPIUKTWAE-WBMJQRKESA-N 1 0 320.345 1.662 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CC2(CO)CCOCC2)c1 ZINC000843075573 702814321 /nfs/dbraw/zinc/81/43/21/702814321.db2.gz MNZICAKLHSGTNF-AWEZNQCLSA-N 1 0 310.350 1.007 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@@H](O)c2ccccn2)c1 ZINC000843092759 702817658 /nfs/dbraw/zinc/81/76/58/702817658.db2.gz DQACUHKOPWMWLQ-LSDHHAIUSA-N 1 0 303.318 1.346 20 5 DDBDRO CC[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H](O)C(F)F ZINC000843114565 702821912 /nfs/dbraw/zinc/82/19/12/702821912.db2.gz KWFPNWHYNIERHJ-SDDRHHMPSA-N 1 0 304.293 1.622 20 5 DDBDRO O=[N+]([O-])c1ccccc1Cc1noc(C[C@@H]2CSCC[NH2+]2)n1 ZINC000843170837 702832612 /nfs/dbraw/zinc/83/26/12/702832612.db2.gz KDUMKMJPCPJJOG-LLVKDONJSA-N 1 0 320.374 1.816 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(Cc2noc(C[C@H]([NH3+])C3CC3)n2)c1 ZINC000843223665 702845539 /nfs/dbraw/zinc/84/55/39/702845539.db2.gz UCOIAWWRAIYJIW-LBPRGKRZSA-N 1 0 318.333 1.857 20 5 DDBDRO C[C@H](C[NH3+])N(C)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000843350005 702864367 /nfs/dbraw/zinc/86/43/67/702864367.db2.gz CJJMGGVZAPCETI-MRVPVSSYSA-N 1 0 300.746 1.466 20 5 DDBDRO CN(CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C1CC([NH3+])C1 ZINC000843389482 702871997 /nfs/dbraw/zinc/87/19/97/702871997.db2.gz YHLHICQJDUJCNF-UHFFFAOYSA-N 1 0 312.757 1.608 20 5 DDBDRO Cc1ccc([C@@H](C)NC(=O)CO[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000843447215 702884559 /nfs/dbraw/zinc/88/45/59/702884559.db2.gz BLFMWJLITUOPHJ-OCCSQVGLSA-N 1 0 321.377 1.849 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N[C@H](C[NH3+])C(C)(C)C)cc1[N+](=O)[O-] ZINC000843496677 702894196 /nfs/dbraw/zinc/89/41/96/702894196.db2.gz ADULLFVYBOTDED-GFCCVEGCSA-N 1 0 324.337 1.915 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(CCOc3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000879571284 706721975 /nfs/dbraw/zinc/72/19/75/706721975.db2.gz OSLBIFPAFTZLEK-KGLIPLIRSA-N 1 0 305.378 2.000 20 5 DDBDRO CCON(C)C(=O)CNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000845715842 703192651 /nfs/dbraw/zinc/19/26/51/703192651.db2.gz CXHCMLAWFRPOIX-UHFFFAOYSA-N 1 0 318.333 1.695 20 5 DDBDRO C[NH+]1CCC(ONC(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000846651583 703308683 /nfs/dbraw/zinc/30/86/83/703308683.db2.gz VYBVMVHDAGWLDW-UHFFFAOYSA-N 1 0 311.313 1.418 20 5 DDBDRO C[C@H]1C[C@H]([NH3+])CCN1C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000846743662 703326272 /nfs/dbraw/zinc/32/62/72/703326272.db2.gz RBLFBVZGNOPVPI-CMPLNLGQSA-N 1 0 317.349 1.283 20 5 DDBDRO CCN1C[C@@H](C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)OC1=O ZINC000846881220 703346068 /nfs/dbraw/zinc/34/60/68/703346068.db2.gz QETYANKHJCFTJC-GFCCVEGCSA-N 1 0 323.353 1.269 20 5 DDBDRO C[C@@H]([NH2+][C@@H]1CCc2c(nnn2C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000848565498 703563575 /nfs/dbraw/zinc/56/35/75/703563575.db2.gz XLYXOCVLOORSJC-MWLCHTKSSA-N 1 0 316.365 1.514 20 5 DDBDRO CCO[C@@H](CNC(=O)c1cc(C)ccc1[N+](=O)[O-])C[NH+](C)C ZINC000831745670 706769537 /nfs/dbraw/zinc/76/95/37/706769537.db2.gz UZUOAIIKYNYIRQ-LBPRGKRZSA-N 1 0 309.366 1.600 20 5 DDBDRO CCO[C@H](CNC(=O)c1csc([N+](=O)[O-])c1)C[NH+](C)C ZINC000831758158 706772837 /nfs/dbraw/zinc/77/28/37/706772837.db2.gz WSQMGIRRBLTYGI-SNVBAGLBSA-N 1 0 301.368 1.353 20 5 DDBDRO C[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])(c2ccccc2)CC1 ZINC000870187754 703946566 /nfs/dbraw/zinc/94/65/66/703946566.db2.gz YVINXBZXWSCJSB-HUUCEWRRSA-N 1 0 317.389 1.431 20 5 DDBDRO O=C1OCCN1[C@@H]1CC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000852436528 704047893 /nfs/dbraw/zinc/04/78/93/704047893.db2.gz INPYGQXUUOINRZ-ZIAGYGMSSA-N 1 0 321.333 1.155 20 5 DDBDRO CCS(=O)(=O)C[C@H](C)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819064818 704064174 /nfs/dbraw/zinc/06/41/74/704064174.db2.gz DGSWWXVYICTNOK-GWCFXTLKSA-N 1 0 316.379 1.041 20 5 DDBDRO CCc1nncn1CC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819089227 704068651 /nfs/dbraw/zinc/06/86/51/704068651.db2.gz IGFKFBVGHXGGNZ-ZDUSSCGKSA-N 1 0 305.338 1.072 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCCOC2CCOCC2)c1 ZINC000819099751 704069793 /nfs/dbraw/zinc/06/97/93/704069793.db2.gz AJMXQBDHSXONQC-MRXNPFEDSA-N 1 0 324.377 1.804 20 5 DDBDRO C[C@H](CO[C@@H]1CCOC1)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819148011 704076379 /nfs/dbraw/zinc/07/63/79/704076379.db2.gz OCRRIRUMYGWNQI-DFBGVHRSSA-N 1 0 310.350 1.412 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@H]2CCc3n[nH]cc3C2)cc1 ZINC000819169586 704080240 /nfs/dbraw/zinc/08/02/40/704080240.db2.gz MWNURDVIHNJDRT-WFASDCNBSA-N 1 0 302.334 1.498 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H]2CCc3n[nH]cc3C2)cc1 ZINC000819169585 704080458 /nfs/dbraw/zinc/08/04/58/704080458.db2.gz MWNURDVIHNJDRT-SWLSCSKDSA-N 1 0 302.334 1.498 20 5 DDBDRO CCOC(=O)CC[C@H](C)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819195232 704084928 /nfs/dbraw/zinc/08/49/28/704084928.db2.gz YQIJYKSVBDHFNR-FZMZJTMJSA-N 1 0 310.350 1.950 20 5 DDBDRO CN(C)c1cccnc1C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819322503 704107266 /nfs/dbraw/zinc/10/72/66/704107266.db2.gz RFBVYNXNUFHVHD-INIZCTEOSA-N 1 0 316.361 1.879 20 5 DDBDRO CCS(=O)(=O)CCC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819367459 704113873 /nfs/dbraw/zinc/11/38/73/704113873.db2.gz HMFWTGRJZGVJJI-CYBMUJFWSA-N 1 0 316.379 1.043 20 5 DDBDRO C[NH+](C)[C@@H]1CCCN(C(=O)[C@](C)(N)c2cccc([N+](=O)[O-])c2)C1 ZINC000870879786 704155491 /nfs/dbraw/zinc/15/54/91/704155491.db2.gz NPWVVQCYXIOBLS-GDBMZVCRSA-N 1 0 320.393 1.321 20 5 DDBDRO C[NH+](C)C1(C)CCC(NC(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000871356765 704274100 /nfs/dbraw/zinc/27/41/00/704274100.db2.gz LQPDDOVZKDDGQN-UHFFFAOYSA-N 1 0 309.370 1.170 20 5 DDBDRO C[NH+](C)CCC[C@H]1CN(c2cc(N)ccc2[N+](=O)[O-])CCO1 ZINC000853990806 704344694 /nfs/dbraw/zinc/34/46/94/704344694.db2.gz VOLUMOUUVHBVIU-ZDUSSCGKSA-N 1 0 308.382 1.724 20 5 DDBDRO C[NH+]1CCC(ONC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000854357065 704385230 /nfs/dbraw/zinc/38/52/30/704385230.db2.gz ORSSABDGQACOIL-UHFFFAOYSA-N 1 0 323.305 1.079 20 5 DDBDRO O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)c1 ZINC000866825329 706815710 /nfs/dbraw/zinc/81/57/10/706815710.db2.gz PTUFHRYCHGHTKF-CHWSQXEVSA-N 1 0 311.363 1.110 20 5 DDBDRO CC(C)[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CC[NH2+]1 ZINC000856485436 704530680 /nfs/dbraw/zinc/53/06/80/704530680.db2.gz NKTMHGJBMHCXEY-AWEZNQCLSA-N 1 0 320.393 1.731 20 5 DDBDRO CC(C)[C@@H]1CN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000856490364 704531023 /nfs/dbraw/zinc/53/10/23/704531023.db2.gz JYIMVQMJAFEYMI-UONOGXRCSA-N 1 0 307.350 1.085 20 5 DDBDRO COC(=O)c1ccnc(N2CCC[C@H](C[NH+](C)C)C2)c1[N+](=O)[O-] ZINC000856726407 704535553 /nfs/dbraw/zinc/53/55/53/704535553.db2.gz FQOVJXJXEPGXQE-LLVKDONJSA-N 1 0 322.365 1.554 20 5 DDBDRO O=C(NC[C@@H]1CCC[NH2+]1)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857764601 704621920 /nfs/dbraw/zinc/62/19/20/704621920.db2.gz UGKLPVUXPIVXEE-VIFPVBQESA-N 1 0 315.276 1.435 20 5 DDBDRO CO[C@H]1COCC[C@@H]1[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000880424636 706969872 /nfs/dbraw/zinc/96/98/72/706969872.db2.gz JQTHRXHCUKVXBF-GJZGRUSLSA-N 1 0 310.350 1.709 20 5 DDBDRO CCCc1n[nH]c(C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3C)c1[N+](=O)[O-] ZINC000874836390 705193619 /nfs/dbraw/zinc/19/36/19/705193619.db2.gz CCQQCIVJAKQEKN-NWDGAFQWSA-N 1 0 321.381 1.579 20 5 DDBDRO C[C@H]1C[C@H](NC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000823987718 705350200 /nfs/dbraw/zinc/35/02/00/705350200.db2.gz QREMFNOKEWKNCH-GXSJLCMTSA-N 1 0 307.354 1.781 20 5 DDBDRO CO[C@@H]1C[N@H+](C)[C@@](C)(COC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000861338950 705432934 /nfs/dbraw/zinc/43/29/34/705432934.db2.gz KMKMRHBCANVRCQ-DZGCQCFKSA-N 1 0 308.334 1.861 20 5 DDBDRO CCN(C(=O)Cn1c(C)ncc1[N+](=O)[O-])[C@H]1CC[N@H+](CC)C1 ZINC000825017874 705578528 /nfs/dbraw/zinc/57/85/28/705578528.db2.gz BXURNXPBOMFLOK-LBPRGKRZSA-N 1 0 309.370 1.042 20 5 DDBDRO CN(C)c1cc(F)c(C(=O)N[C@@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000825516809 705685203 /nfs/dbraw/zinc/68/52/03/705685203.db2.gz BZNKDTUXRGIELF-SNVBAGLBSA-N 1 0 324.356 1.624 20 5 DDBDRO C[C@@H]1[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CCS1(=O)=O ZINC000862512029 705725136 /nfs/dbraw/zinc/72/51/36/705725136.db2.gz HISNRYKBADZSNQ-LDYMZIIASA-N 1 0 318.782 1.913 20 5 DDBDRO CN(C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000825844529 705736305 /nfs/dbraw/zinc/73/63/05/705736305.db2.gz MCYCXIWNSHGNLL-GJZGRUSLSA-N 1 0 319.361 1.323 20 5 DDBDRO O=C(NCCNc1ccccc1[N+](=O)[O-])[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876563646 705759870 /nfs/dbraw/zinc/75/98/70/705759870.db2.gz KUGDSAXRBMECDY-GXFFZTMASA-N 1 0 310.329 1.071 20 5 DDBDRO C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000876612692 705784361 /nfs/dbraw/zinc/78/43/61/705784361.db2.gz TXLQOECYVDOGAB-CDJBXZAQSA-N 1 0 319.361 1.631 20 5 DDBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876649685 705801537 /nfs/dbraw/zinc/80/15/37/705801537.db2.gz CEUATXPPTYPLEC-HIFRSBDPSA-N 1 0 323.368 1.981 20 5 DDBDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000826713262 705854590 /nfs/dbraw/zinc/85/45/90/705854590.db2.gz RXJWEAVWBJVLOK-LLVKDONJSA-N 1 0 324.356 1.100 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000876919681 705923992 /nfs/dbraw/zinc/92/39/92/705923992.db2.gz XJRRWYGOHGTGEI-LBPRGKRZSA-N 1 0 307.350 1.401 20 5 DDBDRO O=C(CC[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)N1CCCCC1 ZINC000876942714 705932704 /nfs/dbraw/zinc/93/27/04/705932704.db2.gz CDWQMNFKFZYTOP-UHFFFAOYSA-N 1 0 321.381 1.487 20 5 DDBDRO CCN(CC[NH3+])C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000877008387 705957120 /nfs/dbraw/zinc/95/71/20/705957120.db2.gz QENFZVTTZIWFRN-UHFFFAOYSA-N 1 0 306.366 1.616 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](O)c3cccc([N+](=O)[O-])c3)CC[C@H]21 ZINC000827244437 705958873 /nfs/dbraw/zinc/95/88/73/705958873.db2.gz AKXCSFVTEVAQMZ-YUELXQCFSA-N 1 0 319.361 1.181 20 5 DDBDRO CCCc1n[nH]c(C(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000827321185 705974773 /nfs/dbraw/zinc/97/47/73/705974773.db2.gz USKDPSJOXSECDK-PWSUYJOCSA-N 1 0 321.381 1.437 20 5 DDBDRO C[C@H](CC[S@](C)=O)[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877088119 705979772 /nfs/dbraw/zinc/97/97/72/705979772.db2.gz BJKVUFLXRTULIC-FQSCOZGLSA-N 1 0 300.384 1.242 20 5 DDBDRO CCC(=O)N1CC[C@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000877088096 705979848 /nfs/dbraw/zinc/97/98/48/705979848.db2.gz AWZXKTSFMNVBFC-UNXYVOJBSA-N 1 0 307.354 1.095 20 5 DDBDRO C[C@H]1C[C@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CN1C1CC1 ZINC000877094862 705981196 /nfs/dbraw/zinc/98/11/96/705981196.db2.gz UYYBVPDBFLLFFY-ATWGWHJKSA-N 1 0 305.382 1.710 20 5 DDBDRO CO[C@@H]1C[NH2+][C@](C)(C(=O)NCc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000877241095 706030070 /nfs/dbraw/zinc/03/00/70/706030070.db2.gz MXDUVJPXGVGRFE-WFASDCNBSA-N 1 0 307.350 1.286 20 5 DDBDRO C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000827626286 706039579 /nfs/dbraw/zinc/03/95/79/706039579.db2.gz VHAHOYQPYMMQOU-RRFJBIMHSA-N 1 0 303.362 1.909 20 5 DDBDRO [NH3+]C[C@@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])C[C@H]1C(F)(F)F ZINC000877371799 706084132 /nfs/dbraw/zinc/08/41/32/706084132.db2.gz VRNVSSAALVBFAK-PSASIEDQSA-N 1 0 317.267 1.804 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)/C=C/CN1CCOCC1 ZINC000864404778 706158471 /nfs/dbraw/zinc/15/84/71/706158471.db2.gz OTZKIUQFBVOXBL-NSCUHMNNSA-N 1 0 305.334 1.730 20 5 DDBDRO CN(CC[NH+]1CCCC1)C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000865158914 706366798 /nfs/dbraw/zinc/36/67/98/706366798.db2.gz HHPZUVHEYRCSFV-UHFFFAOYSA-N 1 0 309.341 1.831 20 5 DDBDRO C[C@H]([NH3+])[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CCO1 ZINC000834322272 707030465 /nfs/dbraw/zinc/03/04/65/707030465.db2.gz QLWXHBXKMBTBOL-QPUJVOFHSA-N 1 0 313.741 1.436 20 5 DDBDRO O=C(N[C@H]1C[NH2+]CCC1(F)F)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000834841617 707135194 /nfs/dbraw/zinc/13/51/94/707135194.db2.gz PXXHUHPCSURATA-JTQLQIEISA-N 1 0 319.695 1.975 20 5 DDBDRO C[C@H]([NH2+]C[C@H]1CCCN1CCCO)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834851558 707139007 /nfs/dbraw/zinc/13/90/07/707139007.db2.gz ZNSKQJCHWGVXDI-GXTWGEPZSA-N 1 0 322.409 1.674 20 5 DDBDRO CC1(C)CO[C@H](C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000872243747 707346101 /nfs/dbraw/zinc/34/61/01/707346101.db2.gz UZMBYGKDVPZFRK-OLZOCXBDSA-N 1 0 324.377 1.739 20 5 DDBDRO O=[N+]([O-])c1c(F)nccc1NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000882114133 707504904 /nfs/dbraw/zinc/50/49/04/707504904.db2.gz OMSUGPZQOWTOLM-LLVKDONJSA-N 1 0 310.329 1.794 20 5 DDBDRO CC[C@H]1C[N@H+](CC)CCN1C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000836944577 707552184 /nfs/dbraw/zinc/55/21/84/707552184.db2.gz BAIFWSWFUAMCEW-DZGCQCFKSA-N 1 0 321.377 1.571 20 5 DDBDRO C[C@@H]1C[C@H](N2CCOCC2)CN1c1ccnc(F)c1[N+](=O)[O-] ZINC000882351394 707596831 /nfs/dbraw/zinc/59/68/31/707596831.db2.gz RQZXJOFLJBQHOP-MNOVXSKESA-N 1 0 310.329 1.428 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC(=O)N1CCN(C)CC1 ZINC000873027103 707699894 /nfs/dbraw/zinc/69/98/94/707699894.db2.gz SCEMVNZWOZWUBZ-UHFFFAOYSA-N 1 0 320.393 1.075 20 5 DDBDRO Nc1ccc([N+](=O)[O-])c(N2CCC[C@H]([NH2+]C3CCOCC3)C2)c1 ZINC000882726206 707762812 /nfs/dbraw/zinc/76/28/12/707762812.db2.gz MWLBPXJTPSTBJO-AWEZNQCLSA-N 1 0 320.393 1.914 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CCOC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000873396537 707836331 /nfs/dbraw/zinc/83/63/31/707836331.db2.gz RJQCBSJONUWVPF-CYBMUJFWSA-N 1 0 324.381 1.907 20 5 DDBDRO CO[C@H]1C[C@H](C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000883263325 707961854 /nfs/dbraw/zinc/96/18/54/707961854.db2.gz POVPHKKBPQSPSC-UMSPYCQHSA-N 1 0 308.334 1.881 20 5 DDBDRO C[C@@H](CNC(=O)NCC[NH+]1CCC1)c1ccccc1[N+](=O)[O-] ZINC000897060709 708219430 /nfs/dbraw/zinc/21/94/30/708219430.db2.gz CTIXYYWOJWLOHH-LBPRGKRZSA-N 1 0 306.366 1.703 20 5 DDBDRO Cc1nc(N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)ccc1[N+](=O)[O-] ZINC000897221122 708258698 /nfs/dbraw/zinc/25/86/98/708258698.db2.gz HLOXKMMTJRIJSF-ZIAGYGMSSA-N 1 0 306.366 1.334 20 5 DDBDRO C[NH+](C)C[C@H](CO)Nc1cccc(C(F)(F)F)c1[N+](=O)[O-] ZINC000884509079 708318762 /nfs/dbraw/zinc/31/87/62/708318762.db2.gz WCGZVPOSWJJKOV-MRVPVSSYSA-N 1 0 307.272 1.948 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@@H]3C[C@]34CCOC4)CC2)cn1 ZINC000885937553 708666683 /nfs/dbraw/zinc/66/66/83/708666683.db2.gz CFRICXNOFBXJQM-BBRMVZONSA-N 1 0 318.377 1.538 20 5 DDBDRO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@@H]3C[C@]34CCOC4)CC2)n1 ZINC000886174999 708710128 /nfs/dbraw/zinc/71/01/28/708710128.db2.gz OFLMDSSHDFHKHK-WFASDCNBSA-N 1 0 306.366 1.855 20 5 DDBDRO Cc1c(CC(=O)N2CC([NH+]3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000898608450 708809204 /nfs/dbraw/zinc/80/92/04/708809204.db2.gz UWMLHXMPGWDMOT-UHFFFAOYSA-N 1 0 303.362 1.752 20 5 DDBDRO COC[C@@H]([NH2+]CCn1c(C)ncc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000886918183 708894614 /nfs/dbraw/zinc/89/46/14/708894614.db2.gz TYPVDUULUHZYHH-QWHCGFSZSA-N 1 0 312.370 1.131 20 5 DDBDRO C[NH+](C)CCn1nccc1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000900239416 709500080 /nfs/dbraw/zinc/50/00/80/709500080.db2.gz CTIWYJIJNPXXOO-UHFFFAOYSA-N 1 0 317.349 1.283 20 5 DDBDRO COc1cccc(C(=O)N2CC[C@H]([NH+]3CCC3)C2)c1[N+](=O)[O-] ZINC000912910476 713121262 /nfs/dbraw/zinc/12/12/62/713121262.db2.gz ZKTHLACZMAZQMQ-NSHDSACASA-N 1 0 305.334 1.524 20 5 DDBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)C12CC[NH+](CC1)C2 ZINC000901017478 709882805 /nfs/dbraw/zinc/88/28/05/709882805.db2.gz QZKNYXANJFEFMO-UHFFFAOYSA-N 1 0 309.753 1.960 20 5 DDBDRO CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000902433224 710752792 /nfs/dbraw/zinc/75/27/92/710752792.db2.gz ZANDQFLJZKOHHN-OSAQELSMSA-N 1 0 321.377 1.582 20 5 DDBDRO COc1cc([C@H](C)[NH2+]CCCS(C)(=O)=O)cc([N+](=O)[O-])c1 ZINC000903091595 711029948 /nfs/dbraw/zinc/02/99/48/711029948.db2.gz XFUKHPHNCBDUPD-JTQLQIEISA-N 1 0 316.379 1.689 20 5 DDBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000911881032 711048623 /nfs/dbraw/zinc/04/86/23/711048623.db2.gz YUSDCASQXYFSDY-NSHDSACASA-N 1 0 324.406 1.032 20 5 DDBDRO COC(=O)N(C)CC[NH2+][C@@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903200825 711062394 /nfs/dbraw/zinc/06/23/94/711062394.db2.gz SRUFIITWFGETHF-JTQLQIEISA-N 1 0 311.338 1.952 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@]1(CO)COCCN1C ZINC000903282453 711087847 /nfs/dbraw/zinc/08/78/47/711087847.db2.gz UCKHLHASZQFUDU-CJNGLKHVSA-N 1 0 323.393 1.247 20 5 DDBDRO [NH3+][C@H]1CN(Cc2cccnc2[N+](=O)[O-])CC[C@H]1C(F)(F)F ZINC000903541640 711179899 /nfs/dbraw/zinc/17/98/99/711179899.db2.gz NFBHNXACHBAVKC-ZJUUUORDSA-N 1 0 304.272 1.701 20 5 DDBDRO CN(CC[N@H+](C)CCO)c1nccc2c1cccc2[N+](=O)[O-] ZINC000894590555 711197987 /nfs/dbraw/zinc/19/79/87/711197987.db2.gz HQWFUTWLALBSPK-UHFFFAOYSA-N 1 0 304.350 1.503 20 5 DDBDRO C[NH2+]CCN(C(C)C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000903590124 711212938 /nfs/dbraw/zinc/21/29/38/711212938.db2.gz ODSKCVNTUAAQEA-UHFFFAOYSA-N 1 0 315.395 1.522 20 5 DDBDRO Cc1cc(F)cc(C(=O)N2CC([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000912325218 711279302 /nfs/dbraw/zinc/27/93/02/711279302.db2.gz SIEGAWSNHPTUNK-UHFFFAOYSA-N 1 0 307.325 1.963 20 5 DDBDRO COCC[C@H]1C[NH2+]CCN1CCOc1ccccc1[N+](=O)[O-] ZINC000903836854 711297015 /nfs/dbraw/zinc/29/70/15/711297015.db2.gz WIWNJEPDCIHSMC-ZDUSSCGKSA-N 1 0 309.366 1.284 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC000894922618 711321692 /nfs/dbraw/zinc/32/16/92/711321692.db2.gz BYJPOBMXMLEBPF-UHFFFAOYSA-N 1 0 305.342 1.535 20 5 DDBDRO CCOc1cc(N2CCC(O)(C[NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000894955993 711337687 /nfs/dbraw/zinc/33/76/87/711337687.db2.gz MEDIDJHBXMHPKS-UHFFFAOYSA-N 1 0 323.393 1.886 20 5 DDBDRO C[NH+](C)C[C@@]1(O)CCN(c2nc3ccc([N+](=O)[O-])cc3s2)C1 ZINC000895009675 711365698 /nfs/dbraw/zinc/36/56/98/711365698.db2.gz ZFSFQNUGGQFEIV-AWEZNQCLSA-N 1 0 322.390 1.707 20 5 DDBDRO C[C@@H]1[C@H](Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC[N@@H+]1C ZINC000895737878 711591408 /nfs/dbraw/zinc/59/14/08/711591408.db2.gz GDCHUZWKTVPIMR-MWLCHTKSSA-N 1 0 304.350 1.984 20 5 DDBDRO C[N@@H+]1CC[C@H]1CNc1ccc([N+](=O)[O-])cc1N1CCOC1=O ZINC000895772279 711602394 /nfs/dbraw/zinc/60/23/94/711602394.db2.gz ZYXTUVJTQIPHRH-NSHDSACASA-N 1 0 306.322 1.667 20 5 DDBDRO COc1c(O)ccc(C[N@@H+]2CC[C@H](C3OCCO3)C2)c1[N+](=O)[O-] ZINC000896379805 711714906 /nfs/dbraw/zinc/71/49/06/711714906.db2.gz FCGZMSXTGNDFEU-NSHDSACASA-N 1 0 324.333 1.504 20 5 DDBDRO Cc1cnc(NC[C@H]2CC[N@@H+]2C2CCOCC2)c([N+](=O)[O-])c1 ZINC000896524597 711738137 /nfs/dbraw/zinc/73/81/37/711738137.db2.gz XIJIHDNOJCLHGN-CYBMUJFWSA-N 1 0 306.366 1.963 20 5 DDBDRO O=[N+]([O-])c1cnc(NC[C@H]2CC[N@@H+]2C2CCOCC2)c(F)c1 ZINC000896525750 711738656 /nfs/dbraw/zinc/73/86/56/711738656.db2.gz OITVKBQLKOXQKD-LLVKDONJSA-N 1 0 310.329 1.794 20 5 DDBDRO C[C@H](NC(=O)c1csc([N+](=O)[O-])c1)[C@@H]1C[N@H+](C)CCN1C ZINC000896572427 711756031 /nfs/dbraw/zinc/75/60/31/711756031.db2.gz VBLUSBVZIRDZTC-ONGXEEELSA-N 1 0 312.395 1.020 20 5 DDBDRO O=[N+]([O-])CCNc1ccc2c(ccn2CC[NH+]2CCOCC2)c1 ZINC000905312405 711999743 /nfs/dbraw/zinc/99/97/43/711999743.db2.gz JQMPKPSRAQAEQZ-UHFFFAOYSA-N 1 0 318.377 1.662 20 5 DDBDRO CCN1CCC[C@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1=O ZINC000905551881 712074978 /nfs/dbraw/zinc/07/49/78/712074978.db2.gz OBKMEDASBIVXFO-KBPBESRZSA-N 1 0 307.350 1.229 20 5 DDBDRO CC[C@H](CN1CCOCC1)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000905553709 712075702 /nfs/dbraw/zinc/07/57/02/712075702.db2.gz VOVSYZRLXGMIKI-ZBFHGGJFSA-N 1 0 323.393 1.329 20 5 DDBDRO O=[N+]([O-])c1ccc2cnn(C[N@@H+]3CC[C@@H](C4OCCO4)C3)c2c1 ZINC000905696116 712121654 /nfs/dbraw/zinc/12/16/54/712121654.db2.gz UKGSJNMPSQNUSK-GFCCVEGCSA-N 1 0 318.333 1.597 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[NH2+]C2(CCCCC2)C1 ZINC000906633545 712374877 /nfs/dbraw/zinc/37/48/77/712374877.db2.gz HLHFOILLDJALRD-UHFFFAOYSA-N 1 0 321.381 1.234 20 5 DDBDRO C[NH+](C)CCCOC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000915803390 713432040 /nfs/dbraw/zinc/43/20/40/713432040.db2.gz CPVTVTLEFIUZIL-UHFFFAOYSA-N 1 0 318.333 1.889 20 5 DDBDRO C[N@@H+]1CCCN(C(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC000929228690 713571528 /nfs/dbraw/zinc/57/15/28/713571528.db2.gz RBOJWTAZQKGVQU-GJZGRUSLSA-N 1 0 303.362 1.862 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)NCC[NH+](C(C)C)C(C)C ZINC000929466182 713617152 /nfs/dbraw/zinc/61/71/52/713617152.db2.gz KXHNQHDQJJLRBR-UHFFFAOYSA-N 1 0 311.386 1.335 20 5 DDBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@H]([NH+](C)C)[C@H]1C ZINC000931045736 713990069 /nfs/dbraw/zinc/99/00/69/713990069.db2.gz QVLOAFYQGBLVMW-BZPMIXESSA-N 1 0 320.393 1.946 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000931722453 714168935 /nfs/dbraw/zinc/16/89/35/714168935.db2.gz HJSXHFHSWBHNKI-UONOGXRCSA-N 1 0 318.377 1.362 20 5 DDBDRO [NH3+]C[C@@H]1CC2(CO1)CCN(Cc1csc([N+](=O)[O-])c1)CC2 ZINC000923448888 714359554 /nfs/dbraw/zinc/35/95/54/714359554.db2.gz HTZMJRSKYLTZGC-LBPRGKRZSA-N 1 0 311.407 1.986 20 5 DDBDRO CCOC(=O)[C@@H]1CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000932644236 714373402 /nfs/dbraw/zinc/37/34/02/714373402.db2.gz HKPUXNHGSIEVEU-OCCSQVGLSA-N 1 0 308.334 1.513 20 5 DDBDRO Cc1ccc([C@H](C)N2C(=O)N[C@H](C[NH+](C)C)C2=O)cc1[N+](=O)[O-] ZINC000924795661 714666017 /nfs/dbraw/zinc/66/60/17/714666017.db2.gz YLSIEAWDXAECII-CMPLNLGQSA-N 1 0 320.349 1.446 20 5 DDBDRO O=[N+]([O-])c1cc(CN2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)cs1 ZINC000934258098 714777773 /nfs/dbraw/zinc/77/77/73/714777773.db2.gz PWLFCIIGQNUBOP-QWHCGFSZSA-N 1 0 311.407 1.687 20 5 DDBDRO C[N@@H+]1CC[C@@H]1CNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000925419989 714850450 /nfs/dbraw/zinc/85/04/50/714850450.db2.gz RZXWSFVEHBZHNA-GFCCVEGCSA-N 1 0 304.350 1.367 20 5 DDBDRO C[NH+](C)CCOCCNC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000935260568 715014772 /nfs/dbraw/zinc/01/47/72/715014772.db2.gz RTTSDSFCGAXXCP-LSDHHAIUSA-N 1 0 321.377 1.393 20 5 DDBDRO C[N@@H+]1C[C@@H]2CC[C@@H](Nc3ccc4ncc([N+](=O)[O-])n4n3)[C@H]2C1 ZINC001120921984 782237055 /nfs/dbraw/zinc/23/70/55/782237055.db2.gz FZYWWZUJUTUFHW-GARJFASQSA-N 1 0 302.338 1.390 20 5 DDBDRO Cc1ccc(F)c(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c1 ZINC001022063850 734368270 /nfs/dbraw/zinc/36/82/70/734368270.db2.gz MRAZGYARSWHZDS-QVHKTLOISA-N 1 0 321.352 1.536 20 5 DDBDRO CC(C)c1ocnc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001022063548 734368571 /nfs/dbraw/zinc/36/85/71/734368571.db2.gz DEMQSTDHLRWXOH-LSCVPOLPSA-N 1 0 322.365 1.200 20 5 DDBDRO O=[N+]([O-])c1cc2c(cc1N[C@H]1COCCC13OCCO3)C[NH2+]C2 ZINC001168352342 742217470 /nfs/dbraw/zinc/21/74/70/742217470.db2.gz DPEPYGZTJAKRCJ-AWEZNQCLSA-N 1 0 321.333 1.142 20 5 DDBDRO COC(=O)[C@@H](CCC[NH3+])Nc1ccc2ncccc2c1[N+](=O)[O-] ZINC001167900082 739215407 /nfs/dbraw/zinc/21/54/07/739215407.db2.gz YNDWCNQDDABHFD-CYBMUJFWSA-N 1 0 318.333 1.835 20 5 DDBDRO O=C(NCC[NH2+]CC1CCC(F)(F)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126936272 742830417 /nfs/dbraw/zinc/83/04/17/742830417.db2.gz DPSJFNUAJBLIPY-GHMZBOCLSA-N 1 0 305.325 1.183 20 5 DDBDRO O=C(NCC[NH2+]Cc1nsc2ccccc12)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126936972 742844997 /nfs/dbraw/zinc/84/49/97/742844997.db2.gz ZHFCFNYJXOHRAY-ZYHUDNBSSA-N 1 0 320.374 1.167 20 5 DDBDRO O=C(NC1CC[NH+](CCc2cccs2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001002787141 743428789 /nfs/dbraw/zinc/42/87/89/743428789.db2.gz GGPKDXFRKQHQGA-ZIAGYGMSSA-N 1 0 323.418 1.536 20 5 DDBDRO [NH3+]Cc1nccnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001184555649 744060933 /nfs/dbraw/zinc/06/09/33/744060933.db2.gz ILNROQIZTZUWDJ-UHFFFAOYSA-N 1 0 314.349 1.170 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC001121939046 744936481 /nfs/dbraw/zinc/93/64/81/744936481.db2.gz ZDUXHRQXJYCWAQ-UHFFFAOYSA-N 1 0 321.381 1.092 20 5 DDBDRO CSCC[C@H]([NH3+])C(=O)NC[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001122353358 745404120 /nfs/dbraw/zinc/40/41/20/745404120.db2.gz INHYQIYMLYYXDW-PWSUYJOCSA-N 1 0 311.407 1.895 20 5 DDBDRO CCN(CCNc1ncccc1[N+](=O)[O-])C(=O)C[NH+]1CCCC1 ZINC001106777364 746061757 /nfs/dbraw/zinc/06/17/57/746061757.db2.gz QUABQWBCWAPOMO-UHFFFAOYSA-N 1 0 321.381 1.346 20 5 DDBDRO Cc1ccccc1C[NH+]1CC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001031662248 747336035 /nfs/dbraw/zinc/33/60/35/747336035.db2.gz YVZWXMBFTAXLAI-HUUCEWRRSA-N 1 0 303.362 1.208 20 5 DDBDRO O=C(CC1CCOCC1)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001125050870 748815772 /nfs/dbraw/zinc/81/57/72/748815772.db2.gz UTRIWACRQAFQHU-UHFFFAOYSA-N 1 0 321.377 1.617 20 5 DDBDRO CC[N@H+](C)CCC(=O)NCCCN(C)c1ccc([N+](=O)[O-])cc1 ZINC001095625608 750092925 /nfs/dbraw/zinc/09/29/25/750092925.db2.gz YFXWECBTFSRJMZ-UHFFFAOYSA-N 1 0 322.409 1.879 20 5 DDBDRO CCC(=O)N[C@H]1CC[C@H]([NH2+]Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC001034573614 750582107 /nfs/dbraw/zinc/58/21/07/750582107.db2.gz PAHMDSBSBHXWRX-XYPYZODXSA-N 1 0 309.370 1.255 20 5 DDBDRO COc1nc(C)nc(N(CC[NH3+])c2cccnc2)c1[N+](=O)[O-] ZINC001168830943 762059335 /nfs/dbraw/zinc/05/93/35/762059335.db2.gz CEXIGQXDJWYMHE-UHFFFAOYSA-N 1 0 304.310 1.194 20 5 DDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CC2(c3cnccn3)CCOCC2)C1 ZINC001168991970 762165489 /nfs/dbraw/zinc/16/54/89/762165489.db2.gz IONGPHWASFGSJA-KBPBESRZSA-N 1 0 320.393 1.560 20 5 DDBDRO [NH3+][C@H]1CC[C@H](N(c2ncccn2)[C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168998703 762170658 /nfs/dbraw/zinc/17/06/58/762170658.db2.gz QCMNRQLQQREJRA-TUVASFSCSA-N 1 0 319.409 1.998 20 5 DDBDRO O=C(N1CCC([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1)C(F)(F)F ZINC001169001636 762172925 /nfs/dbraw/zinc/17/29/25/762172925.db2.gz HDCOZBYNJBMLSJ-KOLCDFICSA-N 1 0 323.315 1.575 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CN(c3ccccc3)CCO2)C1 ZINC001168988130 762180654 /nfs/dbraw/zinc/18/06/54/762180654.db2.gz OGAPTOARRRQJFF-BFYDXBDKSA-N 1 0 319.405 1.927 20 5 DDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CC2CCN(c3cnccn3)CC2)C1 ZINC001168990719 762182153 /nfs/dbraw/zinc/18/21/53/762182153.db2.gz DRFDFMCUACPFAW-GJZGRUSLSA-N 1 0 319.409 1.728 20 5 DDBDRO Cc1cc(C)nc(N2CC[NH+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)n1 ZINC001169029654 762186512 /nfs/dbraw/zinc/18/65/12/762186512.db2.gz UXIWZTVSETUUEQ-HUUCEWRRSA-N 1 0 319.409 1.661 20 5 DDBDRO CCN1CC[C@]2(CCC[N@@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C2)C1=O ZINC001169019202 762199321 /nfs/dbraw/zinc/19/93/21/762199321.db2.gz FNZDXYVVUCRQKA-LZWOXQAQSA-N 1 0 309.410 1.766 20 5 DDBDRO CCOCc1nnn2c1C[N@@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)CCC2 ZINC001169024845 762202163 /nfs/dbraw/zinc/20/21/63/762202163.db2.gz RNRAIWWWUDDCGA-CHWSQXEVSA-N 1 0 323.397 1.466 20 5 DDBDRO CCn1ncc2c1[C@H](COC)C[N@@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169025068 762202453 /nfs/dbraw/zinc/20/24/53/762202453.db2.gz XNEIHPOAOMUOIM-AEGPPILISA-N 1 0 322.409 1.894 20 5 DDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CCC(Oc3ccncn3)CC2)C1 ZINC001169052544 762207925 /nfs/dbraw/zinc/20/79/25/762207925.db2.gz HAHKVLRGDWOOSC-STQMWFEESA-N 1 0 306.366 1.765 20 5 DDBDRO CCOC(=O)C1(Nc2cc([N+](=O)[O-])c(C)cn2)CC[NH+](C)CC1 ZINC001169492515 762479674 /nfs/dbraw/zinc/47/96/74/762479674.db2.gz VYVDDGZIXHWWEG-UHFFFAOYSA-N 1 0 322.365 1.738 20 5 DDBDRO COc1cc(-n2cc(CC[NH3+])c3ncccc32)cnc1[N+](=O)[O-] ZINC001169711388 762616474 /nfs/dbraw/zinc/61/64/74/762616474.db2.gz XXQXJMKCHTXPCE-UHFFFAOYSA-N 1 0 313.317 1.839 20 5 DDBDRO CCN(c1ncc([N+](=O)[O-])cc1C(=O)OC)[C@@H]1CCC[NH2+]C1 ZINC001158200216 767852817 /nfs/dbraw/zinc/85/28/17/767852817.db2.gz LIXPHEWVXWPASJ-SNVBAGLBSA-N 1 0 308.338 1.355 20 5 DDBDRO O=C1NCc2ccccc2[C@H]1Nc1cc2c(cc1[N+](=O)[O-])C[NH2+]C2 ZINC001169885811 762719422 /nfs/dbraw/zinc/71/94/22/762719422.db2.gz IUYMGEKNUURKNC-MRXNPFEDSA-N 1 0 324.340 1.981 20 5 DDBDRO CNC(=O)[C@H](C)Nc1ccc([N+](=O)[O-])c(OCC[NH+](C)C)c1 ZINC001169986881 763454380 /nfs/dbraw/zinc/45/43/80/763454380.db2.gz ZNGQTTWEFWYDNK-JTQLQIEISA-N 1 0 310.354 1.082 20 5 DDBDRO O=C(NCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1cc(F)c[nH]1 ZINC001131462952 768144088 /nfs/dbraw/zinc/14/40/88/768144088.db2.gz IFXMPIGJTRCRHM-UHFFFAOYSA-N 1 0 306.297 1.582 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(NCCCN(C)C(=O)CC[NH+](C)C)n1 ZINC001109617098 763882245 /nfs/dbraw/zinc/88/22/45/763882245.db2.gz XZYOLXYWVWUHMF-UHFFFAOYSA-N 1 0 323.397 1.510 20 5 DDBDRO O=C(NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)C1(CCF)CC1 ZINC001131721230 768311310 /nfs/dbraw/zinc/31/13/10/768311310.db2.gz ABQCWXFJMPRXBK-UHFFFAOYSA-N 1 0 309.341 1.940 20 5 DDBDRO COc1ccc(C[C@H](C)[NH2+]CCC(=O)N(C)C)c([N+](=O)[O-])c1 ZINC001170296719 766226283 /nfs/dbraw/zinc/22/62/83/766226283.db2.gz HTONCPFDNOFGOJ-NSHDSACASA-N 1 0 309.366 1.602 20 5 DDBDRO COc1ccc(C[C@@H](C)[NH2+]C[C@H]2CC(=O)N(C)C2)c([N+](=O)[O-])c1 ZINC001170306439 766231353 /nfs/dbraw/zinc/23/13/53/766231353.db2.gz VDGIMTPRFWKBJP-VXGBXAGGSA-N 1 0 321.377 1.602 20 5 DDBDRO COc1ccc(C[C@H](C)[N@@H+]2CC[C@@H](F)[C@H](O)C2)c([N+](=O)[O-])c1 ZINC001170327845 766254147 /nfs/dbraw/zinc/25/41/47/766254147.db2.gz IIKWAZPQSJXIMY-PSOPSSQASA-N 1 0 312.341 1.939 20 5 DDBDRO CC(=O)NC[C@H]1CC[C@H](C[NH2+]Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC001048592982 769568656 /nfs/dbraw/zinc/56/86/56/769568656.db2.gz KTGCSLTUQUVAKC-JOCQHMNTSA-N 1 0 323.397 1.360 20 5 DDBDRO Cc1ccnn1CC(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001134513084 771024151 /nfs/dbraw/zinc/02/41/51/771024151.db2.gz AFRHUHUOKRWNJB-UHFFFAOYSA-N 1 0 317.349 1.006 20 5 DDBDRO O=[N+]([O-])c1cc(F)cc2ccc(N[C@@H]3C[NH2+]C[C@H]3CO)nc21 ZINC001170775405 771205378 /nfs/dbraw/zinc/20/53/78/771205378.db2.gz CRHAULYRKNQSQI-GXSJLCMTSA-N 1 0 306.297 1.274 20 5 DDBDRO O=[N+]([O-])c1cc(N[C@H]2C[NH2+]C[C@@H]2CO)cc(C(F)(F)F)c1 ZINC001170783325 771270975 /nfs/dbraw/zinc/27/09/75/771270975.db2.gz XNPKXJLCYWTCCY-HQJQHLMTSA-N 1 0 305.256 1.606 20 5 DDBDRO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1ccc2c([N+](=O)[O-])c[nH]c2n1 ZINC001170869433 771789216 /nfs/dbraw/zinc/78/92/16/771789216.db2.gz CIHAIHWLTGIDRX-NXEZZACHSA-N 1 0 319.321 1.034 20 5 DDBDRO Cc1cc(NCCNC(=O)C2([NH+](C)C)CCC2)ccc1[N+](=O)[O-] ZINC001093927985 775221430 /nfs/dbraw/zinc/22/14/30/775221430.db2.gz SUIMIOIRHCIFHM-UHFFFAOYSA-N 1 0 320.393 1.916 20 5 DDBDRO CC1(C)CC[N@H+](CC(=O)NCCNc2ncccc2[N+](=O)[O-])C1 ZINC001094140315 775475598 /nfs/dbraw/zinc/47/55/98/775475598.db2.gz GXDFQPANHZOPMH-UHFFFAOYSA-N 1 0 321.381 1.250 20 5 DDBDRO O=C(C[NH+]1CCCC1)NCCCNc1ccc([N+](=O)[O-])cn1 ZINC001094434918 775859824 /nfs/dbraw/zinc/85/98/24/775859824.db2.gz YRTIURVFGLZYQR-UHFFFAOYSA-N 1 0 307.354 1.004 20 5 DDBDRO CC(C)[N@H+](C)CC(=O)NCCCNc1ccc([N+](=O)[O-])cn1 ZINC001094456419 775896147 /nfs/dbraw/zinc/89/61/47/775896147.db2.gz GAKSXOHSDRZKAD-UHFFFAOYSA-N 1 0 309.370 1.248 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(NCCCNC(=O)CCC[NH+](C)C)n1 ZINC001094744752 776242854 /nfs/dbraw/zinc/24/28/54/776242854.db2.gz KFVBGFDTMWXZQF-UHFFFAOYSA-N 1 0 323.397 1.558 20 5 DDBDRO Cc1cc(NCCCNC(=O)CC[NH+](C)C)ccc1[N+](=O)[O-] ZINC001094752545 776248823 /nfs/dbraw/zinc/24/88/23/776248823.db2.gz ZPFLNBOFRLPFND-UHFFFAOYSA-N 1 0 308.382 1.773 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@H+]1CCO[C@H](CO)C1)CC2 ZINC001172907079 776918291 /nfs/dbraw/zinc/91/82/91/776918291.db2.gz CRIBLMPUUYPQDC-HOCLYGCPSA-N 1 0 306.362 1.535 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@H]2[C@@H]3COC[C@@H]32)c1F ZINC001173186009 777035178 /nfs/dbraw/zinc/03/51/78/777035178.db2.gz QUTZJUQPRNNOPH-VATFKXGISA-N 1 0 310.325 1.908 20 5 DDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1(CO)CCN(C)CC1 ZINC001173230000 777063179 /nfs/dbraw/zinc/06/31/79/777063179.db2.gz WVBQIEYBWAZVKL-ZDUSSCGKSA-N 1 0 307.394 1.572 20 5 DDBDRO CC(C)[N@H+](C)CC(=O)N(C)CCNc1ncccc1[N+](=O)[O-] ZINC001101657905 777354865 /nfs/dbraw/zinc/35/48/65/777354865.db2.gz XSOPMBGYCPFMSB-UHFFFAOYSA-N 1 0 309.370 1.200 20 5 DDBDRO CCOCC[NH2+]Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC001177308299 778550279 /nfs/dbraw/zinc/55/02/79/778550279.db2.gz PLXYDGBTDZJORI-UHFFFAOYSA-N 1 0 312.322 1.273 20 5 DDBDRO Cc1c(C[NH2+]C2CC(NS(C)(=O)=O)C2)cccc1[N+](=O)[O-] ZINC001178546678 779088850 /nfs/dbraw/zinc/08/88/50/779088850.db2.gz XVYROTZVODGHIV-UHFFFAOYSA-N 1 0 313.379 1.073 20 5 DDBDRO COC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC001116836107 780565379 /nfs/dbraw/zinc/56/53/79/780565379.db2.gz ZXIJHMAIQXQPAH-VXGBXAGGSA-N 1 0 321.333 1.125 20 5 DDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)NCC1(C)CC[NH2+]CC1 ZINC001118143379 781040960 /nfs/dbraw/zinc/04/09/60/781040960.db2.gz LDZSYANQMSINEL-UHFFFAOYSA-N 1 0 306.366 1.756 20 5 DDBDRO O=[N+]([O-])c1cccc(OCCn2cc(C[NH2+]CC3CC3)nn2)c1 ZINC001119333292 781407572 /nfs/dbraw/zinc/40/75/72/781407572.db2.gz RARQIWXASJTQNJ-UHFFFAOYSA-N 1 0 317.349 1.765 20 5 DDBDRO C[NH+](C)C[C@H](CO)Nc1c2cc(Cl)ccc2ncc1[N+](=O)[O-] ZINC001120039958 781734243 /nfs/dbraw/zinc/73/42/43/781734243.db2.gz OMKXQAVTXSFXOL-SNVBAGLBSA-N 1 0 324.768 1.553 20 5 DDBDRO CCC[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1cccnc1C ZINC001267314049 837809046 /nfs/dbraw/zinc/80/90/46/837809046.db2.gz GWTCUSAXYJYGDB-HUUCEWRRSA-N 1 0 320.393 1.383 20 5 DDBDRO C[N@H+](CCNC(=O)Cc1ccco1)Cc1ccc([N+](=O)[O-])cc1 ZINC001266340216 836141761 /nfs/dbraw/zinc/14/17/61/836141761.db2.gz ONFSQQIMIWQPMH-UHFFFAOYSA-N 1 0 317.345 1.979 20 5 DDBDRO CC[N@H+](C)CCC(=O)NC1CN(Cc2ccccc2[N+](=O)[O-])C1 ZINC001268466989 840246121 /nfs/dbraw/zinc/24/61/21/840246121.db2.gz POAXELBZCGNPNV-UHFFFAOYSA-N 1 0 320.393 1.237 20 5 DDBDRO Cc1nc(NC2CC[NH+](C[C@H]3CCCO3)CC2)ncc1[N+](=O)[O-] ZINC001326492220 861405391 /nfs/dbraw/zinc/40/53/91/861405391.db2.gz NTUWULNPKNFURJ-CYBMUJFWSA-N 1 0 321.381 1.749 20 5 DDBDRO C[C@@H](CN1CC[NH2+]CC1)Nc1nc2ccccc2cc1[N+](=O)[O-] ZINC001154752043 861425636 /nfs/dbraw/zinc/42/56/36/861425636.db2.gz KVTDVAFYUPEXEW-LBPRGKRZSA-N 1 0 315.377 1.849 20 5 DDBDRO O=C(NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1cn[nH]c1 ZINC001155016136 861648137 /nfs/dbraw/zinc/64/81/37/861648137.db2.gz JHEWIEDFBBHIHV-UHFFFAOYSA-N 1 0 303.322 1.228 20 5 DDBDRO C[C@H]1C[NH2+]CCC[C@@H]1CNc1ncc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001155022837 861653557 /nfs/dbraw/zinc/65/35/57/861653557.db2.gz BFZRALFFYAFYDD-VHSXEESVSA-N 1 0 309.326 1.946 20 5 DDBDRO Cc1ccc(-c2ccc(N[C@@H]3COC[C@@H]3[NH3+])nn2)cc1[N+](=O)[O-] ZINC001155353968 861989968 /nfs/dbraw/zinc/98/99/68/861989968.db2.gz VVEVSNDBQYOFFI-WCQYABFASA-N 1 0 315.333 1.498 20 5 DDBDRO O=[N+]([O-])c1c[nH]c2ccc(NC[C@H]3OC[C@H]4C[NH2+]CC[C@H]43)nc21 ZINC001155526293 862193738 /nfs/dbraw/zinc/19/37/38/862193738.db2.gz FCTVASNBYOTZAH-GIPNMCIBSA-N 1 0 317.349 1.508 20 5 DDBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N[C@H]2CC[C@@H]3C[NH2+]C[C@@H]32)n1 ZINC001155587964 862260764 /nfs/dbraw/zinc/26/07/64/862260764.db2.gz JJLZMLZYCMTMLD-VWYCJHECSA-N 1 0 320.353 1.062 20 5 DDBDRO O=[N+]([O-])c1cc(Cl)nc(N[C@@H]2CCO[C@@]3(CC[NH2+]C3)C2)c1 ZINC001155619541 862297728 /nfs/dbraw/zinc/29/77/28/862297728.db2.gz PXHKCSNDQIJPTI-RNCFNFMXSA-N 1 0 312.757 1.966 20 5 DDBDRO Cc1cncc([N+](=O)[O-])c1NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001328508703 863016234 /nfs/dbraw/zinc/01/62/34/863016234.db2.gz WFBCPMCRDMVNFQ-AWEZNQCLSA-N 1 0 320.393 1.775 20 5 DDBDRO CCn1c([C@H](C)[N+](=O)[O-])nnc1N1CCC(CC)([NH+](C)C)CC1 ZINC001121794436 858599410 /nfs/dbraw/zinc/59/94/10/858599410.db2.gz ZLXIBRPYVIZWEP-LBPRGKRZSA-N 1 0 324.429 1.946 20 5 DDBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cncs1 ZINC001124239219 859647604 /nfs/dbraw/zinc/64/76/04/859647604.db2.gz ZXWRKFRACPBVTD-UHFFFAOYSA-N 1 0 306.347 1.571 20 5 DDBDRO Cc1cncc(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)c1 ZINC001125190572 859914820 /nfs/dbraw/zinc/91/48/20/859914820.db2.gz NPMMMIWYIZZWMQ-UHFFFAOYSA-N 1 0 314.345 1.818 20 5 DDBDRO O=C(NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1)C1=CCOCC1 ZINC001156960619 863477896 /nfs/dbraw/zinc/47/78/96/863477896.db2.gz HZLCNMGOJVQLCM-UHFFFAOYSA-N 1 0 319.361 1.537 20 5 DDBDRO C[NH2+][C@H](C)CCNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC001329300889 863586936 /nfs/dbraw/zinc/58/69/36/863586936.db2.gz BAGMEGYMXHNVLZ-SECBINFHSA-N 1 0 309.322 1.094 20 5 DDBDRO COC(=O)[C@H](CO[C@H](C)C[N+](C)(C)C)NC(=O)OC(C)(C)C ZINC001225112275 881687422 /nfs/dbraw/zinc/68/74/22/881687422.db2.gz ZMTLTTIMHHPSTG-NEPJUHHUSA-O 1 0 319.422 1.164 20 5 DDBDRO CSc1nc(Cl)nc(N[C@H]2C[NH2+]CC[C@H]2F)c1[N+](=O)[O-] ZINC001157447379 863825390 /nfs/dbraw/zinc/82/53/90/863825390.db2.gz FCGLHDKAXWEKEF-RITPCOANSA-N 1 0 321.765 1.872 20 5 DDBDRO CCC[N@H+]1C[C@H]2CN(c3cc(OC)c([N+](=O)[O-])cn3)C[C@H]2C1 ZINC001157691385 864053555 /nfs/dbraw/zinc/05/35/55/864053555.db2.gz PGXJEHMEKQSLBI-TXEJJXNPSA-N 1 0 306.366 1.776 20 5 DDBDRO C[C@@H]([NH3+])c1ccn(-c2cc(/C=C/N(C)C)c([N+](=O)[O-])cn2)n1 ZINC001158351062 864596752 /nfs/dbraw/zinc/59/67/52/864596752.db2.gz SNPZHBNDICTOCG-DFVUYQKZSA-N 1 0 302.338 1.728 20 5 DDBDRO CCN(C(=O)CSc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[NH2+]C1 ZINC001330985770 864756148 /nfs/dbraw/zinc/75/61/48/864756148.db2.gz VVKRMPAGQCLSNN-GFCCVEGCSA-N 1 0 309.391 1.897 20 5 DDBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CCC[C@@](C)(C[NH3+])C1 ZINC001158678815 864809067 /nfs/dbraw/zinc/80/90/67/864809067.db2.gz OVCKPXOLPJTCED-HNNXBMFYSA-N 1 0 322.365 1.732 20 5 DDBDRO C[N@H+](C1CN(c2ncc(Cl)cc2[N+](=O)[O-])C1)[C@H]1CCOC1 ZINC001158725340 864857845 /nfs/dbraw/zinc/85/78/45/864857845.db2.gz HEKYPVHCSAVGHH-JTQLQIEISA-N 1 0 312.757 1.553 20 5 DDBDRO [NH3+]CCc1cn(-c2nc(Cl)ncc2[N+](=O)[O-])c2cccnc12 ZINC001158745750 864877909 /nfs/dbraw/zinc/87/79/09/864877909.db2.gz KYXHIGRDJDKFFG-UHFFFAOYSA-N 1 0 318.724 1.878 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CCCC[C@@]3(CC[NH2+]C3)C2)n1 ZINC001331464668 865103259 /nfs/dbraw/zinc/10/32/59/865103259.db2.gz RKIADYBNRISPDG-HNNXBMFYSA-N 1 0 321.381 1.417 20 5 DDBDRO Cc1c(CC[NH3+])c(=O)[n-]n1-c1cnc2ccc([N+](=O)[O-])cc2n1 ZINC001159294159 865206899 /nfs/dbraw/zinc/20/68/99/865206899.db2.gz VVNIVGUFGUCPFV-UHFFFAOYSA-N 1 0 314.305 1.239 20 5 DDBDRO C[NH+](C)CCCCC(=O)N[C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC001332195433 865655622 /nfs/dbraw/zinc/65/56/22/865655622.db2.gz OGHHPAXPWBCSLW-MRXNPFEDSA-N 1 0 323.393 1.650 20 5 DDBDRO COc1nc(-n2c(C[NH3+])cc3ccncc32)ncc1[N+](=O)[O-] ZINC001160957800 866219498 /nfs/dbraw/zinc/21/94/98/866219498.db2.gz UQQGNJXVWLPACZ-UHFFFAOYSA-N 1 0 300.278 1.191 20 5 DDBDRO C[C@H](C(=O)NCC[NH+]1CC=CC1)c1ccc([N+](=O)[O-])cc1F ZINC001320107709 866478654 /nfs/dbraw/zinc/47/86/54/866478654.db2.gz HQWVAIRUBSHSPC-NSHDSACASA-N 1 0 307.325 1.825 20 5 DDBDRO CC1(C)C[C@H](CNc2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)CCO1 ZINC001161430634 866660975 /nfs/dbraw/zinc/66/09/75/866660975.db2.gz XDZJNMKKMJLURG-SNVBAGLBSA-N 1 0 321.381 1.689 20 5 DDBDRO COC(=O)c1cc(N[C@@H](C)CN2CC[NH2+]CC2)cc([N+](=O)[O-])c1 ZINC001162098873 867250624 /nfs/dbraw/zinc/25/06/24/867250624.db2.gz YUSMWEDFPLLCIB-NSHDSACASA-N 1 0 322.365 1.087 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])cc(NC[C@@H]2CCC[NH2+]C[C@@H]2C)n1 ZINC001162452497 867544409 /nfs/dbraw/zinc/54/44/09/867544409.db2.gz FOYUQHMDJYDMHP-QWRGUYRKSA-N 1 0 322.365 1.824 20 5 DDBDRO COc1nc(C)nc(NC[C@@H]2CCC[NH2+]C[C@H]2C)c1[N+](=O)[O-] ZINC001162456862 867548598 /nfs/dbraw/zinc/54/85/98/867548598.db2.gz ZLADNJACCMHLJX-KOLCDFICSA-N 1 0 309.370 1.749 20 5 DDBDRO CCOC1(OCC)CC[NH2+]C[C@H]1Nc1cc(C)c([N+](=O)[O-])cn1 ZINC001162729737 867777424 /nfs/dbraw/zinc/77/74/24/867777424.db2.gz QNIWVYJRDWOMOG-CYBMUJFWSA-N 1 0 324.381 1.841 20 5 DDBDRO COc1cc([C@@H](C)[NH2+]CCN2CCOC[C@@H]2C)cc([N+](=O)[O-])c1 ZINC001334729139 867796442 /nfs/dbraw/zinc/79/64/42/867796442.db2.gz FROQRFKLEKIVPY-QWHCGFSZSA-N 1 0 323.393 1.975 20 5 DDBDRO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cn3)C[C@@H]2C1 ZINC001334794520 867833505 /nfs/dbraw/zinc/83/35/05/867833505.db2.gz ALMDUVLAGDGJHQ-FRRDWIJNSA-N 1 0 318.377 1.792 20 5 DDBDRO Cc1cccc(NCc2nnn3c2C[NH2+]CCC3)c1[N+](=O)[O-] ZINC001162971553 867959884 /nfs/dbraw/zinc/95/98/84/867959884.db2.gz JCVGWLNZSKXTQU-UHFFFAOYSA-N 1 0 302.338 1.600 20 5 DDBDRO CCOc1cnc(N[C@H]2COCCC23C[NH2+]C3)c([N+](=O)[O-])c1 ZINC001163069975 868052750 /nfs/dbraw/zinc/05/27/50/868052750.db2.gz SECNVWNQLNMQDK-LBPRGKRZSA-N 1 0 308.338 1.179 20 5 DDBDRO O=[N+]([O-])c1cnc2ccc(NCC[C@H]3CCOC34C[NH2+]C4)cn21 ZINC001163089922 868077433 /nfs/dbraw/zinc/07/74/33/868077433.db2.gz ONAVVVVMOCHVIC-NSHDSACASA-N 1 0 317.349 1.423 20 5 DDBDRO O=C1C[C@H]2[NH2+]CC[C@@]2(Nc2ccc3ncccc3c2[N+](=O)[O-])N1 ZINC001163253720 868263708 /nfs/dbraw/zinc/26/37/08/868263708.db2.gz MVTDWGOEKWMZAC-IUODEOHRSA-N 1 0 313.317 1.133 20 5 DDBDRO CCS(=O)(=O)CC[NH2+]CCNc1ccc([N+](=O)[O-])cc1 ZINC001335891938 868600459 /nfs/dbraw/zinc/60/04/59/868600459.db2.gz OEHZINJHMXASJF-UHFFFAOYSA-N 1 0 301.368 1.031 20 5 DDBDRO Cc1cc(C[NH3+])nn1-c1ncnc2cc(F)c([N+](=O)[O-])cc21 ZINC001163979754 868841658 /nfs/dbraw/zinc/84/16/58/868841658.db2.gz HYNPVLAYVMOKLZ-UHFFFAOYSA-N 1 0 302.269 1.630 20 5 DDBDRO C[NH+](C)Cc1cccc(CNc2c[n+]([O-])ccc2[N+](=O)[O-])c1 ZINC001163994956 868858646 /nfs/dbraw/zinc/85/86/46/868858646.db2.gz XCGOOGJKSDVBQR-UHFFFAOYSA-N 1 0 302.334 1.902 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CCCC(F)F)c1 ZINC001336307762 868858880 /nfs/dbraw/zinc/85/88/80/868858880.db2.gz IZIIDLSTGQJFSK-NSHDSACASA-N 1 0 304.293 1.969 20 5 DDBDRO O=C(COc1cccc([N+](=O)[O-])c1)N[C@@H]1C[NH+]2CCC1CC2 ZINC001336569733 869023423 /nfs/dbraw/zinc/02/34/23/869023423.db2.gz RNCDNUKHLWMNMV-CQSZACIVSA-N 1 0 305.334 1.184 20 5 DDBDRO COc1c(O)ccc(CN2CC[C@@H]3C[N@H+](C)C[C@@H]32)c1[N+](=O)[O-] ZINC001336813279 869160513 /nfs/dbraw/zinc/16/05/13/869160513.db2.gz PMLCHDQIIZKRHG-PWSUYJOCSA-N 1 0 307.350 1.445 20 5 DDBDRO Nc1cc(N2CC[NH2+][C@@H](Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC001164612099 869327709 /nfs/dbraw/zinc/32/77/09/869327709.db2.gz JYHLDQMNCMAZED-ZDUSSCGKSA-N 1 0 313.361 1.593 20 5 DDBDRO CN(C)/C=C\c1cc(N2CC[N@@H+]3CC[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001165198352 869422410 /nfs/dbraw/zinc/42/24/10/869422410.db2.gz JMNFRUIWKJPLIC-HSBHDXMMSA-N 1 0 303.366 1.416 20 5 DDBDRO O=[N+]([O-])c1cnc(N2CC[C@]3(C2)CCC[NH2+]C3)c([N+](=O)[O-])c1 ZINC001165236892 869455648 /nfs/dbraw/zinc/45/56/48/869455648.db2.gz OSWJCEHIYRDXFE-CYBMUJFWSA-N 1 0 307.310 1.478 20 5 DDBDRO O=[N+]([O-])c1c(Cl)cc(Cl)nc1N1CCOCC12C[NH2+]C2 ZINC001165287042 869497390 /nfs/dbraw/zinc/49/73/90/869497390.db2.gz YDJHQYYMDFLJEP-UHFFFAOYSA-N 1 0 319.148 1.475 20 5 DDBDRO Cc1nc2c(n1-c1nc(Cl)nc(C)c1[N+](=O)[O-])CC[NH2+]CC2 ZINC001165351373 869537497 /nfs/dbraw/zinc/53/74/97/869537497.db2.gz CBMOIHPBADGDKS-UHFFFAOYSA-N 1 0 322.756 1.529 20 5 DDBDRO CSc1nc(Cl)nc(N2C[C@@H]3[C@H]([NH3+])[C@@H]3C2)c1[N+](=O)[O-] ZINC001165381728 869554994 /nfs/dbraw/zinc/55/49/94/869554994.db2.gz COSSCPJCDJDZCN-FPFOFBBKSA-N 1 0 301.759 1.153 20 5 DDBDRO C[C@@H](CNC(=O)NCC12CC(C1)C[NH2+]2)c1ccccc1[N+](=O)[O-] ZINC001338653064 870096793 /nfs/dbraw/zinc/09/67/93/870096793.db2.gz CGSMADWYGQLFRH-FZWSLVFFSA-N 1 0 318.377 1.750 20 5 DDBDRO C[C@H]1CCCN(c2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])[C@H]1C ZINC001166612054 870096870 /nfs/dbraw/zinc/09/68/70/870096870.db2.gz UXJKFXAYXYTPCM-RYUDHWBXSA-N 1 0 320.397 1.419 20 5 DDBDRO C[C@H](C[N+](C)(C)C)Oc1ccn2ncc(Br)c2n1 ZINC001226353203 882377333 /nfs/dbraw/zinc/37/73/33/882377333.db2.gz XLYLVYZLPCXGPY-SECBINFHSA-N 1 0 314.207 1.965 20 5 DDBDRO COC(=O)C1(Nc2cc([N+](=O)[O-])cc3cc[nH]c32)CC[NH2+]CC1 ZINC001166947611 870406926 /nfs/dbraw/zinc/40/69/26/870406926.db2.gz OUPDBMXLRIARPX-UHFFFAOYSA-N 1 0 318.333 1.783 20 5 DDBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@H](C[NH3+])C1 ZINC001340135057 870914002 /nfs/dbraw/zinc/91/40/02/870914002.db2.gz SCYVYJVUBLZZMS-SNVBAGLBSA-N 1 0 311.363 1.116 20 5 DDBDRO COC(=O)[C@@]1(C[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)CCOC1 ZINC001204104230 870939281 /nfs/dbraw/zinc/93/92/81/870939281.db2.gz OYDRTIZDZBKBLX-OAHLLOKOSA-N 1 0 324.333 1.273 20 5 DDBDRO COC(=O)c1ccc(C)c(OC(=O)C[C@@H](O)C[N+](C)(C)C)c1 ZINC001226490107 882461037 /nfs/dbraw/zinc/46/10/37/882461037.db2.gz YZXWIVNIPXSIMK-CYBMUJFWSA-N 1 0 310.370 1.144 20 5 DDBDRO CC1(C)C[NH2+]C[C@@H]1NC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001341347951 871616940 /nfs/dbraw/zinc/61/69/40/871616940.db2.gz RYPUAJYLINNFAZ-MCIONIFRSA-N 1 0 303.362 1.813 20 5 DDBDRO C[C@@H](CNC(=O)C[C@@H]1C[NH2+]CCO1)c1ccccc1[N+](=O)[O-] ZINC001341429670 871657176 /nfs/dbraw/zinc/65/71/76/871657176.db2.gz VTKVVDGEOVRJBD-NWDGAFQWSA-N 1 0 307.350 1.193 20 5 DDBDRO CC1(C)C[NH2+]C[C@@H]1NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC001341464839 871667373 /nfs/dbraw/zinc/66/73/73/871667373.db2.gz HAUNEFHKDMXGHW-ZDUSSCGKSA-N 1 0 307.350 1.478 20 5 DDBDRO O=C(NCC[C@H]1CSCC[NH2+]1)c1ccc([N+](=O)[O-])cc1F ZINC001342009506 871949448 /nfs/dbraw/zinc/94/94/48/871949448.db2.gz VTZUNGDMUGAPGW-VIFPVBQESA-N 1 0 313.354 1.559 20 5 DDBDRO [NH3+][C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)CC[C@H]1C(F)(F)F ZINC001342490830 872235499 /nfs/dbraw/zinc/23/54/99/872235499.db2.gz ASOLXJGDQBRGIO-GHMZBOCLSA-N 1 0 317.267 1.947 20 5 DDBDRO C[C@H](NC(=O)C[C@@H]1CSCC[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC001342588306 872278762 /nfs/dbraw/zinc/27/87/62/872278762.db2.gz DIBORUJOXDQLEH-CMPLNLGQSA-N 1 0 309.391 1.867 20 5 DDBDRO CN(CC1CC[NH2+]CC1)C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001343568756 872673886 /nfs/dbraw/zinc/67/38/86/872673886.db2.gz LQLZVPJRKUDSQT-UHFFFAOYSA-N 1 0 321.333 1.395 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC001344720998 873090162 /nfs/dbraw/zinc/09/01/62/873090162.db2.gz RXYXGWAWGKMCRZ-RKDXNWHRSA-N 1 0 317.267 1.865 20 5 DDBDRO C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC001346379142 873723304 /nfs/dbraw/zinc/72/33/04/873723304.db2.gz VAQAYDBWNQFMRZ-MTOAGJAQSA-N 1 0 306.362 1.969 20 5 DDBDRO CC[C@H]([NH3+])C(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC001349886864 875433311 /nfs/dbraw/zinc/43/33/11/875433311.db2.gz XIQHNOQDYDRBHB-VIFPVBQESA-N 1 0 316.155 1.711 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N1CC[NH2+]CCC12CCC2 ZINC001353128030 877136975 /nfs/dbraw/zinc/13/69/75/877136975.db2.gz YLUWTKXFWYYYAE-UHFFFAOYSA-N 1 0 319.361 1.718 20 5 DDBDRO C[C@H]([NH2+]CC[N+](=O)[O-])[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001354594713 878095031 /nfs/dbraw/zinc/09/50/31/878095031.db2.gz MHOKZSSASIUORS-RYUDHWBXSA-N 1 0 301.387 1.888 20 5 DDBDRO C[C@@H]1C[C@@H]1C(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001355080910 878415173 /nfs/dbraw/zinc/41/51/73/878415173.db2.gz MRADMGULSPPIPN-YPMHNXCESA-N 1 0 318.377 1.941 20 5 DDBDRO C[C@H](CNC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2)c1ccccc1[N+](=O)[O-] ZINC001355316513 878495867 /nfs/dbraw/zinc/49/58/67/878495867.db2.gz OHFNFQYMOITDLI-YMEQNVIZSA-N 1 0 303.362 1.942 20 5 DDBDRO C[C@H](CNC(=O)[C@@H]([NH3+])CC(F)F)c1ccccc1[N+](=O)[O-] ZINC001358389394 880418799 /nfs/dbraw/zinc/41/87/99/880418799.db2.gz VSLFPWPKQLSJPU-SCZZXKLOSA-N 1 0 301.293 1.797 20 5 DDBDRO Cc1cnc(CO[C@@H]2C[C@@H]3CC(=O)C[C@H]2[N@@H+]3C)c(C)c1[N+](=O)[O-] ZINC001224183129 881261576 /nfs/dbraw/zinc/26/15/76/881261576.db2.gz MVNFMMXZEMQOPB-NILFDRSVSA-N 1 0 319.361 1.927 20 5 DDBDRO COC(=O)Cc1ccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)c(C)c1 ZINC001227720592 883145127 /nfs/dbraw/zinc/14/51/27/883145127.db2.gz SKPUBEFSWIVDHN-CQSZACIVSA-N 1 0 324.397 1.073 20 5 DDBDRO COC(=O)c1cc(OC[C@H]2CN(C)CCO2)cc([N+](=O)[O-])c1 ZINC001228772372 883662692 /nfs/dbraw/zinc/66/26/92/883662692.db2.gz WDTLUUXOPWZYFM-CYBMUJFWSA-N 1 0 310.306 1.091 20 5 DDBDRO CC(=O)c1cc(C)cc(C)c1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001229358426 883942043 /nfs/dbraw/zinc/94/20/43/883942043.db2.gz UJLBEKXWAXYCNZ-CQSZACIVSA-N 1 0 308.398 1.869 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cccc(OC(F)F)c1 ZINC001233962870 887502908 /nfs/dbraw/zinc/50/29/08/887502908.db2.gz KQNZCGHWGNOKNV-SNVBAGLBSA-N 1 0 304.313 1.651 20 5 DDBDRO C[N@H+](CCCNC(=O)c1ccon1)Cc1ccc([N+](=O)[O-])cc1 ZINC001234513268 888039898 /nfs/dbraw/zinc/03/98/98/888039898.db2.gz VQPLZMKACUGYAG-UHFFFAOYSA-N 1 0 318.333 1.835 20 5 DDBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(O[C@H]2C[NH+]3CCC2CC3)n1 ZINC001234908459 888246634 /nfs/dbraw/zinc/24/66/34/888246634.db2.gz FRCPIGAOSFSCBR-NSHDSACASA-N 1 0 321.337 1.125 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC(N[C@@H]3C[NH2+]CC[C@H]3F)CC2)cc1 ZINC001246499534 892661740 /nfs/dbraw/zinc/66/17/40/892661740.db2.gz ZSGFCYMZPPTGAQ-HZPDHXFCSA-N 1 0 322.384 1.853 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2C[C@H]3C[C@@]3([NH3+])C2)c1F ZINC001246870317 892960219 /nfs/dbraw/zinc/96/02/19/892960219.db2.gz OJNOBAUKEKFIGN-FEUHOPSXSA-N 1 0 309.341 1.707 20 5 DDBDRO CCNC(=O)C[N@H+](C)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254476983 896455700 /nfs/dbraw/zinc/45/57/00/896455700.db2.gz YIVSRQLUHKFOPL-UHFFFAOYSA-N 1 0 320.393 1.632 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CC2(C1)CS(=O)(=O)C2 ZINC001254537997 896494125 /nfs/dbraw/zinc/49/41/25/896494125.db2.gz LSIHTENYEPZWCG-LLVKDONJSA-N 1 0 324.402 1.693 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1COCCC12OCCO2 ZINC001254538368 896494342 /nfs/dbraw/zinc/49/43/42/896494342.db2.gz TVXZEBGMOIIWEF-IUODEOHRSA-N 1 0 322.361 1.647 20 5 DDBDRO CC(=O)N1C[C@@H]2C[C@]2([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254573091 896507275 /nfs/dbraw/zinc/50/72/75/896507275.db2.gz WOOSWQMQROYVLR-DZKIICNBSA-N 1 0 301.346 1.272 20 5 DDBDRO COCCN1CCC([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254580083 896512866 /nfs/dbraw/zinc/51/28/66/896512866.db2.gz BEBNLOTWAVQWMQ-INIZCTEOSA-N 1 0 319.405 1.762 20 5 DDBDRO COC(=O)[C@@H]1COCC[C@@H]1[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254590078 896521287 /nfs/dbraw/zinc/52/12/87/896521287.db2.gz UPUCABRRNNQVQS-YUELXQCFSA-N 1 0 320.345 1.230 20 5 DDBDRO COc1cc(N2CCC([NH2+]C[C@@H](C)O)CC2)ccc1[N+](=O)[O-] ZINC001256083447 897278860 /nfs/dbraw/zinc/27/88/60/897278860.db2.gz VHPFOGGOTQTYRK-LLVKDONJSA-N 1 0 309.366 1.543 20 5 DDBDRO CC(C)C[NH2+]CC(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC001261502517 899611230 /nfs/dbraw/zinc/61/12/30/899611230.db2.gz PBPXCBHRTOHHSX-LBPRGKRZSA-N 1 0 321.381 1.248 20 5 DDBDRO CCN(C(=O)COc1cccc([N+](=O)[O-])c1)[C@H]1CCC[NH2+]C1 ZINC001263333698 900578542 /nfs/dbraw/zinc/57/85/42/900578542.db2.gz RBHJABXYYVSPSB-ZDUSSCGKSA-N 1 0 307.350 1.574 20 5 DDBDRO CC(C)(O)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001265475983 902053673 /nfs/dbraw/zinc/05/36/73/902053673.db2.gz VCHPQJMUSOKEND-JOCQHMNTSA-N 1 0 321.377 1.493 20 5 DDBDRO C[C@H]1CCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H]1CO ZINC000305429844 231007637 /nfs/dbraw/zinc/00/76/37/231007637.db2.gz DLDTWSBNFQCPSW-HZMBPMFUSA-N 1 0 307.350 1.287 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H]1COCC1(C)C ZINC000451808860 231199865 /nfs/dbraw/zinc/19/98/65/231199865.db2.gz KYTZVGLGVRZUJB-GFCCVEGCSA-N 1 0 307.350 1.856 20 5 DDBDRO CN(C)C(=O)N[C@@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000451997258 231262797 /nfs/dbraw/zinc/26/27/97/231262797.db2.gz QZZUIUZCNYGOID-CQSZACIVSA-N 1 0 320.393 1.873 20 5 DDBDRO CCc1n[nH]c(C(=O)N(C)[C@@H]2CC[N@@H+](CC)[C@H](C)C2)c1[N+](=O)[O-] ZINC000444260991 529464975 /nfs/dbraw/zinc/46/49/75/529464975.db2.gz PYIDFOUHGSIRQS-GHMZBOCLSA-N 1 0 323.397 1.825 20 5 DDBDRO CC1(C)CN(CCc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1CCO ZINC000614920866 362078316 /nfs/dbraw/zinc/07/83/16/362078316.db2.gz VTUMPFRGXOTHEW-UHFFFAOYSA-N 1 0 307.394 1.526 20 5 DDBDRO CCC[N@H+](C)C[C@@H]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090551564 185302864 /nfs/dbraw/zinc/30/28/64/185302864.db2.gz OZQOCNDWGACBQT-AWEZNQCLSA-N 1 0 322.409 1.420 20 5 DDBDRO C[NH2+]CCCNS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000420406081 529970973 /nfs/dbraw/zinc/97/09/73/529970973.db2.gz PPPUYRQDIRIJMS-UHFFFAOYSA-N 1 0 301.368 1.099 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1C[C@@H](C)[C@H]([NH+](C)C)C1 ZINC000330664979 231979615 /nfs/dbraw/zinc/97/96/15/231979615.db2.gz ZHFHMBCZKATCPA-TZMCWYRMSA-N 1 0 320.393 1.724 20 5 DDBDRO COC[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000181702068 199341155 /nfs/dbraw/zinc/34/11/55/199341155.db2.gz CDSIFFBCRVJEST-CABCVRRESA-N 1 0 320.349 1.130 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3F)[C@H]2C1 ZINC000272635811 210037231 /nfs/dbraw/zinc/03/72/31/210037231.db2.gz NRQJBUXITCRVNH-YGRLFVJLSA-N 1 0 307.325 1.900 20 5 DDBDRO C[C@H]([NH3+])C[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000320698817 290820527 /nfs/dbraw/zinc/82/05/27/290820527.db2.gz RLRYJDLNEGYYAV-YUMQZZPRSA-N 1 0 321.786 1.652 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000358474125 299164980 /nfs/dbraw/zinc/16/49/80/299164980.db2.gz UCULEDQHGCUWLU-AWEZNQCLSA-N 1 0 308.338 1.091 20 5 DDBDRO COC(=O)CC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000152535155 186082613 /nfs/dbraw/zinc/08/26/13/186082613.db2.gz HTZYVCGBMUKUNX-UHFFFAOYSA-N 1 0 308.334 1.797 20 5 DDBDRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C1 ZINC000237475413 186295320 /nfs/dbraw/zinc/29/53/20/186295320.db2.gz HHFRQIROOMJCKM-NWDGAFQWSA-N 1 0 320.393 1.860 20 5 DDBDRO CC(C)[NH+]1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000028921457 352233145 /nfs/dbraw/zinc/23/31/45/352233145.db2.gz VRNGDGVAXLHCDM-OAHLLOKOSA-N 1 0 323.393 1.361 20 5 DDBDRO C[NH+](C)CCCNC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000042922287 352355310 /nfs/dbraw/zinc/35/53/10/352355310.db2.gz JNRYSLTZRQXJHU-UHFFFAOYSA-N 1 0 309.370 1.258 20 5 DDBDRO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000046047166 352433866 /nfs/dbraw/zinc/43/38/66/352433866.db2.gz GTNPKBHWUWADIY-CYBMUJFWSA-N 1 0 322.365 1.250 20 5 DDBDRO COCCC[N@H+](CCOC)CCOc1ccccc1[N+](=O)[O-] ZINC000054366092 352689843 /nfs/dbraw/zinc/68/98/43/352689843.db2.gz UAYYVBIYJLWMSM-UHFFFAOYSA-N 1 0 312.366 1.959 20 5 DDBDRO CCNC(=O)C[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000054223585 352683905 /nfs/dbraw/zinc/68/39/05/352683905.db2.gz FWUDURIKAHIOQP-UHFFFAOYSA-N 1 0 322.365 1.300 20 5 DDBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](O)[C@H]1CCOC1 ZINC000344832695 282845335 /nfs/dbraw/zinc/84/53/35/282845335.db2.gz SQTAXGLOOOAEGJ-ZFYLUOEISA-N 1 0 306.362 1.985 20 5 DDBDRO Cc1c(NC(=O)CC[N@@H+](C)CC[C@@H](C)O)cccc1[N+](=O)[O-] ZINC000072713227 353210486 /nfs/dbraw/zinc/21/04/86/353210486.db2.gz RUYSNIBRBBOFEC-LLVKDONJSA-N 1 0 309.366 1.935 20 5 DDBDRO C[N@H+](CC1CC1)C[C@H]1CCN(c2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000074772862 353330119 /nfs/dbraw/zinc/33/01/19/353330119.db2.gz VNTPGYBODZQPHI-LLVKDONJSA-N 1 0 306.370 1.135 20 5 DDBDRO C[NH+]1CCC(O)(CNC(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000080882615 353634480 /nfs/dbraw/zinc/63/44/80/353634480.db2.gz IWKLIUQWPZXLRO-VOTSOKGWSA-N 1 0 319.361 1.181 20 5 DDBDRO CC[C@H](CO)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2COC)CC1 ZINC000080652443 353620829 /nfs/dbraw/zinc/62/08/29/353620829.db2.gz KLJVGGHZMIECNB-CQSZACIVSA-N 1 0 323.393 1.634 20 5 DDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000124941738 354043527 /nfs/dbraw/zinc/04/35/27/354043527.db2.gz IUWWQPUVIIVHSU-WDEREUQCSA-N 1 0 313.379 1.451 20 5 DDBDRO O=[N+]([O-])c1ccn(CCN2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000151194056 354181486 /nfs/dbraw/zinc/18/14/86/354181486.db2.gz VKEGIEGFKDPVCY-UHFFFAOYSA-N 1 0 302.338 1.009 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NCCC[NH+]1CCCCCC1 ZINC000160490803 354239510 /nfs/dbraw/zinc/23/95/10/354239510.db2.gz WIRFZPSZZASTCI-UHFFFAOYSA-N 1 0 309.370 1.324 20 5 DDBDRO C[C@H]1CSCC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000246932432 354362701 /nfs/dbraw/zinc/36/27/01/354362701.db2.gz DRLUAKVRTAVZJX-WCQYABFASA-N 1 0 312.391 1.772 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H](C)C[C@@H](C)[NH3+])cc1C ZINC000320756188 354529107 /nfs/dbraw/zinc/52/91/07/354529107.db2.gz WNKUKTKPDNVEGU-GHMZBOCLSA-N 1 0 315.395 1.616 20 5 DDBDRO CC[C@@H]1CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000316619994 354504354 /nfs/dbraw/zinc/50/43/54/354504354.db2.gz AUZMHBSPORRILS-ZWNOBZJWSA-N 1 0 306.366 1.253 20 5 DDBDRO O=[N+]([O-])c1ccc2[nH]c(N3CC[C@H]4C[NH2+]C[C@H]4CC3)nc2c1 ZINC000319234044 354520668 /nfs/dbraw/zinc/52/06/68/354520668.db2.gz LFUBLTAFXOCMNF-PHIMTYICSA-N 1 0 301.350 1.907 20 5 DDBDRO C[C@H]([NH3+])C[C@H](C)NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000320170350 354525739 /nfs/dbraw/zinc/52/57/39/354525739.db2.gz XHTQQBDZYAARDT-UWVGGRQHSA-N 1 0 301.368 1.140 20 5 DDBDRO CCO[C@@H]1CN(C(=O)c2cc(C)ccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000405351028 354678787 /nfs/dbraw/zinc/67/87/87/354678787.db2.gz UQNFKSZBKMWCLW-BXUZGUMPSA-N 1 0 307.350 1.339 20 5 DDBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000287394638 219498161 /nfs/dbraw/zinc/49/81/61/219498161.db2.gz YNUFGQIQFMWUOL-TZMCWYRMSA-N 1 0 321.381 1.267 20 5 DDBDRO C[N@@H+]1CCC[C@H]2CN(c3cc(N)c([N+](=O)[O-])c(CO)c3)CC[C@@H]21 ZINC000588001108 354891781 /nfs/dbraw/zinc/89/17/81/354891781.db2.gz ONQNTEZXBNMFNE-NHYWBVRUSA-N 1 0 320.393 1.590 20 5 DDBDRO Cc1cc(C(=O)N2CC[C@@H]([N@@H+]3CC[C@@H](O)C3)C2)cc([N+](=O)[O-])c1 ZINC000588860631 354943562 /nfs/dbraw/zinc/94/35/62/354943562.db2.gz KIAFLSQLMLJQHT-UKRRQHHQSA-N 1 0 319.361 1.184 20 5 DDBDRO Cc1ccc(C(=O)N2CC[C@@H]([N@@H+]3CC[C@H](O)C3)C2)cc1[N+](=O)[O-] ZINC000588864063 354944079 /nfs/dbraw/zinc/94/40/79/354944079.db2.gz ZWTFBWLLUHNZFK-KGLIPLIRSA-N 1 0 319.361 1.184 20 5 DDBDRO Cc1c(CC(=O)N[C@@H](CO)C[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000588868903 354944458 /nfs/dbraw/zinc/94/44/58/354944458.db2.gz HTDITXPYTLHYCM-CQSZACIVSA-N 1 0 321.377 1.019 20 5 DDBDRO Cc1ccc(C(=O)N[C@@H](CO)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000588867400 354944465 /nfs/dbraw/zinc/94/44/65/354944465.db2.gz UYZDZQDHWGCFPD-CYBMUJFWSA-N 1 0 307.350 1.090 20 5 DDBDRO C[C@@H](Nc1nccc(C(N)=O)c1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000589573729 355002302 /nfs/dbraw/zinc/00/23/02/355002302.db2.gz QFLNAMJAUFIOGB-SECBINFHSA-N 1 0 307.354 1.231 20 5 DDBDRO CCCCN(CC(N)=O)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589495794 354995864 /nfs/dbraw/zinc/99/58/64/354995864.db2.gz BILUEJJUPLMEKZ-UHFFFAOYSA-N 1 0 323.349 1.469 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@](O)(C[NH+](C)C)C1 ZINC000590538584 355109294 /nfs/dbraw/zinc/10/92/94/355109294.db2.gz NLYHGLHOUJMEDD-INIZCTEOSA-N 1 0 321.377 1.432 20 5 DDBDRO Cn1c(C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)ccc1[N+](=O)[O-] ZINC000495123617 235128937 /nfs/dbraw/zinc/12/89/37/235128937.db2.gz VELDELJYKJMJJZ-RYUDHWBXSA-N 1 0 306.366 1.490 20 5 DDBDRO C[N@@H+]1C[C@@H]2CCN(C(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)[C@@H]2C1 ZINC000590446621 355099568 /nfs/dbraw/zinc/09/95/68/355099568.db2.gz TYJAIVXHGVBAHF-IINYFYTJSA-N 1 0 314.345 1.852 20 5 DDBDRO O=C1CC[C@@H]([NH+]2CCN(c3ccsc3[N+](=O)[O-])CC2)CCN1 ZINC000590735544 355159106 /nfs/dbraw/zinc/15/91/06/355159106.db2.gz DFYOHQCEHRJJDY-LLVKDONJSA-N 1 0 324.406 1.447 20 5 DDBDRO COc1cccc2c1C[N@H+](CCn1cc([N+](=O)[O-])cn1)CC2 ZINC000590759984 355169674 /nfs/dbraw/zinc/16/96/74/355169674.db2.gz ZSWWJNOPPXZABF-UHFFFAOYSA-N 1 0 302.334 1.858 20 5 DDBDRO C[C@H]1C[N@H+](CCO)CCN1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000590765853 355172622 /nfs/dbraw/zinc/17/26/22/355172622.db2.gz ZMZRSMBLDAYZQJ-AWEZNQCLSA-N 1 0 323.393 1.362 20 5 DDBDRO CN(C)C(=O)[C@@H]1CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000591047956 355238830 /nfs/dbraw/zinc/23/88/30/355238830.db2.gz WUVPOXOHWKSFFO-CYBMUJFWSA-N 1 0 321.377 1.774 20 5 DDBDRO CCc1nn(C)c(N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC000591444700 355312927 /nfs/dbraw/zinc/31/29/27/355312927.db2.gz HDHMDHXEZBKTRF-VXGBXAGGSA-N 1 0 307.398 1.717 20 5 DDBDRO CC(C)[NH2+][C@H]1CCCN(c2c(C(N)=O)cccc2[N+](=O)[O-])C1 ZINC000591458881 355316639 /nfs/dbraw/zinc/31/66/39/355316639.db2.gz CVXOIOXLBVKFKE-NSHDSACASA-N 1 0 306.366 1.661 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000591301642 355284278 /nfs/dbraw/zinc/28/42/78/355284278.db2.gz LGQVUAXGBHKZRW-BXUZGUMPSA-N 1 0 322.365 1.792 20 5 DDBDRO COC(=O)[C@@H]1C[C@H](O)C[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000592209139 355539497 /nfs/dbraw/zinc/53/94/97/355539497.db2.gz VKGULDRGKUIRCK-BZPMIXESSA-N 1 0 322.361 1.820 20 5 DDBDRO CC1([NH3+])CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000592380193 355571070 /nfs/dbraw/zinc/57/10/70/355571070.db2.gz SAEWFLMJNPNTSH-UHFFFAOYSA-N 1 0 317.342 1.236 20 5 DDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)s1 ZINC000592381271 355571095 /nfs/dbraw/zinc/57/10/95/355571095.db2.gz DLFAWDAAFDLHRH-RKDXNWHRSA-N 1 0 317.392 1.029 20 5 DDBDRO CN(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C1CC[NH2+]CC1 ZINC000592424310 355579505 /nfs/dbraw/zinc/57/95/05/355579505.db2.gz GICPOMMASRKUDP-UHFFFAOYSA-N 1 0 307.350 1.550 20 5 DDBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000592544309 355622665 /nfs/dbraw/zinc/62/26/65/355622665.db2.gz BSYJFKVNWQRMDI-FZMZJTMJSA-N 1 0 321.402 1.897 20 5 DDBDRO C[C@@H]([NH3+])CNC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000592546793 355623201 /nfs/dbraw/zinc/62/32/01/355623201.db2.gz CQFWWZFRJUNDLN-HTQZYQBOSA-N 1 0 301.730 1.479 20 5 DDBDRO CC[C@@H]1CN(C(=O)CCOc2ccccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000592545185 355623336 /nfs/dbraw/zinc/62/33/36/355623336.db2.gz PACJHZXTPJRFOJ-CHWSQXEVSA-N 1 0 321.377 1.950 20 5 DDBDRO COC(=O)c1cc(C(=O)N[C@H](C)C[C@H](C)[NH3+])cc([N+](=O)[O-])c1 ZINC000592568525 355632023 /nfs/dbraw/zinc/63/20/23/355632023.db2.gz VQALRRUGCKKDIS-DTWKUNHWSA-N 1 0 309.322 1.237 20 5 DDBDRO Cc1cn2c(n1)CN(C(=O)Cc1ccc(F)cc1[N+](=O)[O-])CC2 ZINC000593598305 355938108 /nfs/dbraw/zinc/93/81/08/355938108.db2.gz JNEACRHFWAPXKG-UHFFFAOYSA-N 1 0 318.308 1.824 20 5 DDBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NCCC1(C[NH3+])CC1 ZINC000593716291 355974886 /nfs/dbraw/zinc/97/48/86/355974886.db2.gz SYDURRQDYLIIKT-UHFFFAOYSA-N 1 0 320.393 1.908 20 5 DDBDRO O=C(CCN[C@]12CCC[C@@H]1C[NH2+]C2)Nc1ccccc1[N+](=O)[O-] ZINC000601328039 358499549 /nfs/dbraw/zinc/49/95/49/358499549.db2.gz FFKOCLRVJYHFTN-WBMJQRKESA-N 1 0 318.377 1.655 20 5 DDBDRO O=C(Cc1ccc(F)cc1[N+](=O)[O-])NCC[N@H+]1CC=CCC1 ZINC000593671099 355962315 /nfs/dbraw/zinc/96/23/15/355962315.db2.gz FGQKICAUBINAGB-UHFFFAOYSA-N 1 0 307.325 1.655 20 5 DDBDRO O=C1C[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)CN1C1CC1 ZINC000593682620 355965699 /nfs/dbraw/zinc/96/56/99/355965699.db2.gz WAPCJUXISIKFRI-JTQLQIEISA-N 1 0 307.325 1.834 20 5 DDBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+][C@H](CO)CCF)OCCO2 ZINC000593689765 355968848 /nfs/dbraw/zinc/96/88/48/355968848.db2.gz ROVJEEMMKQELBA-JTQLQIEISA-N 1 0 300.286 1.176 20 5 DDBDRO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)COc1ccc([N+](=O)[O-])cc1)C2 ZINC000593915634 356057619 /nfs/dbraw/zinc/05/76/19/356057619.db2.gz WEBZGTOAJGMBMQ-LRDDRELGSA-N 1 0 319.361 1.561 20 5 DDBDRO O=C(CCOc1ccccc1[N+](=O)[O-])NCCC1CC[NH2+]CC1 ZINC000593918641 356060785 /nfs/dbraw/zinc/06/07/85/356060785.db2.gz HQERPJAUTNKXMR-UHFFFAOYSA-N 1 0 321.377 1.870 20 5 DDBDRO CCC(C)(C)[NH+]1CCN(c2cc(N)c([N+](=O)[O-])c(CO)c2)CC1 ZINC000594593982 356259518 /nfs/dbraw/zinc/25/95/18/356259518.db2.gz GQESFTOWRFPCPH-UHFFFAOYSA-N 1 0 322.409 1.980 20 5 DDBDRO NC(=O)c1ccnc(N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000594596965 356259878 /nfs/dbraw/zinc/25/98/78/356259878.db2.gz BPNWVDFWHOWSND-VXGBXAGGSA-N 1 0 319.365 1.518 20 5 DDBDRO C[C@@H](C[NH3+])n1cc(CNC(=O)Nc2cccc([N+](=O)[O-])c2)nn1 ZINC000594651676 356274662 /nfs/dbraw/zinc/27/46/62/356274662.db2.gz FRKKDOGXYNNWOH-VIFPVBQESA-N 1 0 319.325 1.028 20 5 DDBDRO CC(C)(C[NH3+])Cn1cc(COc2ccccc2[N+](=O)[O-])nn1 ZINC000594652820 356275763 /nfs/dbraw/zinc/27/57/63/356275763.db2.gz PEEYLNIWNHRRNY-UHFFFAOYSA-N 1 0 305.338 1.750 20 5 DDBDRO C[C@H]([NH2+][C@@H]1CCc2c(nnn2C)C1)c1cccc([N+](=O)[O-])c1 ZINC000594522374 356241907 /nfs/dbraw/zinc/24/19/07/356241907.db2.gz QNQZKFBIAZAKRJ-CMPLNLGQSA-N 1 0 301.350 1.931 20 5 DDBDRO CSCC1(CC[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000594715980 356294352 /nfs/dbraw/zinc/29/43/52/356294352.db2.gz FPBWVLJOCFMYGP-GFCCVEGCSA-N 1 0 314.411 1.275 20 5 DDBDRO [NH3+][C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC[C@@H]1c1ccccc1 ZINC000595222189 356411266 /nfs/dbraw/zinc/41/12/66/356411266.db2.gz SZJCKZCGHSPHHD-ZIAGYGMSSA-N 1 0 314.345 1.880 20 5 DDBDRO O=C(Cn1ccc([N+](=O)[O-])n1)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000595225854 356411602 /nfs/dbraw/zinc/41/16/02/356411602.db2.gz PAZUJKZDGKNOJK-OLZOCXBDSA-N 1 0 321.381 1.172 20 5 DDBDRO CC(C)[C@@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000595412884 356483233 /nfs/dbraw/zinc/48/32/33/356483233.db2.gz NYDVSXCCPMGVTN-ZDUSSCGKSA-N 1 0 313.379 1.213 20 5 DDBDRO Cc1noc(CN(CC[NH+](C)C)Cc2ccccn2)c1[N+](=O)[O-] ZINC000595508983 356524128 /nfs/dbraw/zinc/52/41/28/356524128.db2.gz MTSDAIQHNJBHCM-UHFFFAOYSA-N 1 0 319.365 1.850 20 5 DDBDRO CCC[NH2+]CCNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000236854551 202038860 /nfs/dbraw/zinc/03/88/60/202038860.db2.gz UEQDNDNITSBOEH-UHFFFAOYSA-N 1 0 317.349 1.510 20 5 DDBDRO COc1cc(C[N@@H+]2CC[C@H](Cn3ccnn3)C2)ccc1[N+](=O)[O-] ZINC000595607972 356574242 /nfs/dbraw/zinc/57/42/42/356574242.db2.gz MDYPAKFZKWAYHZ-ZDUSSCGKSA-N 1 0 317.349 1.717 20 5 DDBDRO CCc1n[nH]c(C(=O)N[C@H](CC)C[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000618215222 363516992 /nfs/dbraw/zinc/51/69/92/363516992.db2.gz MGXKZVCKUSVJAH-SNVBAGLBSA-N 1 0 309.370 1.485 20 5 DDBDRO CC[NH2+]CCNC(=O)c1cc(OCC)c(OC)cc1[N+](=O)[O-] ZINC000236969042 202098419 /nfs/dbraw/zinc/09/84/19/202098419.db2.gz XAZUDXKFIATGTR-UHFFFAOYSA-N 1 0 311.338 1.341 20 5 DDBDRO C[C@]12COC[C@@H]1C[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C2 ZINC000595754985 356637060 /nfs/dbraw/zinc/63/70/60/356637060.db2.gz DOMQTFNESKNIKO-NOLJZWGESA-N 1 0 322.361 1.303 20 5 DDBDRO O=C(CC[N@@H+]1CC[C@@]2(O)C[C@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000595759483 356640557 /nfs/dbraw/zinc/64/05/57/356640557.db2.gz UWHBAWNQSHFMAM-XHDPSFHLSA-N 1 0 305.334 1.380 20 5 DDBDRO O=C1CCCC12CC[NH+](CCn1cc([N+](=O)[O-])ccc1=O)CC2 ZINC000595815557 356661916 /nfs/dbraw/zinc/66/19/16/356661916.db2.gz GLGQSWAEGSLXNQ-UHFFFAOYSA-N 1 0 319.361 1.592 20 5 DDBDRO CC[C@@H]([NH2+]C)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000595929144 356708468 /nfs/dbraw/zinc/70/84/68/356708468.db2.gz WIXZCRNRBLDCFK-OAHLLOKOSA-N 1 0 321.377 1.963 20 5 DDBDRO O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)c1cc([N+](=O)[O-])c[nH]1 ZINC000595966057 356727504 /nfs/dbraw/zinc/72/75/04/356727504.db2.gz CMGUMHNIMNOTMB-UKRRQHHQSA-N 1 0 314.345 1.798 20 5 DDBDRO CC(C)[C@H]([NH3+])CCNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000595984366 356735436 /nfs/dbraw/zinc/73/54/36/356735436.db2.gz FFELTLLRUPEWPO-GFCCVEGCSA-N 1 0 309.366 1.853 20 5 DDBDRO Cc1ccc([C@H](C)NC(=O)[C@@H]2CCO[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000595940873 356715012 /nfs/dbraw/zinc/71/50/12/356715012.db2.gz JDICVYOLOGWCIV-ZKYQVNSYSA-N 1 0 307.350 1.444 20 5 DDBDRO [NH3+]CC12CC(C1)CN2C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000595942070 356715931 /nfs/dbraw/zinc/71/59/31/356715931.db2.gz GDANNNKXKHMDHL-UHFFFAOYSA-N 1 0 301.306 1.034 20 5 DDBDRO COCC[N@@H+]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596110999 356776197 /nfs/dbraw/zinc/77/61/97/356776197.db2.gz UBVUAQOWVRWUOR-GFCCVEGCSA-N 1 0 322.365 1.216 20 5 DDBDRO CC(C)C[NH2+]C1(CO)CCN(c2ncc([N+](=O)[O-])s2)CC1 ZINC000596252724 356833599 /nfs/dbraw/zinc/83/35/99/356833599.db2.gz KLIXCDCNVIPSLS-UHFFFAOYSA-N 1 0 314.411 1.628 20 5 DDBDRO O=c1[nH]ccc(N2CCC[C@H](C[NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000596222141 356820891 /nfs/dbraw/zinc/82/08/91/356820891.db2.gz QCQVPCXXENKWHA-GFCCVEGCSA-N 1 0 322.365 1.244 20 5 DDBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000596538595 356911130 /nfs/dbraw/zinc/91/11/30/356911130.db2.gz MODNBXYIAWYKKV-CQSZACIVSA-N 1 0 306.366 1.334 20 5 DDBDRO COc1cc(OCC(=O)N(C)C2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000237224935 202195980 /nfs/dbraw/zinc/19/59/80/202195980.db2.gz SDAZUUKWZFRIFN-UHFFFAOYSA-N 1 0 323.349 1.193 20 5 DDBDRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000597858481 357361562 /nfs/dbraw/zinc/36/15/62/357361562.db2.gz LZKQSOBDPCJBGC-LBPRGKRZSA-N 1 0 321.377 1.963 20 5 DDBDRO CCc1n[nH]c(C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000597923124 357383646 /nfs/dbraw/zinc/38/36/46/357383646.db2.gz LSLLQYBUENYKMR-VIFPVBQESA-N 1 0 309.370 1.483 20 5 DDBDRO CCN(C(=O)Cc1ccc(OC)c([N+](=O)[O-])c1)[C@H]1CC[N@H+](C)C1 ZINC000597944539 357394264 /nfs/dbraw/zinc/39/42/64/357394264.db2.gz DVPSDXDCQYHLAB-ZDUSSCGKSA-N 1 0 321.377 1.699 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NCCN(C)CCC[NH+](C)C ZINC000597989712 357407639 /nfs/dbraw/zinc/40/76/39/357407639.db2.gz IHTRXFYCILPVGL-UHFFFAOYSA-N 1 0 322.409 1.517 20 5 DDBDRO CN(CCC[NH+](C)C)CCNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000597990206 357408485 /nfs/dbraw/zinc/40/84/85/357408485.db2.gz RFWRZLKCFPBPBR-UHFFFAOYSA-N 1 0 322.409 1.137 20 5 DDBDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000598265941 357514594 /nfs/dbraw/zinc/51/45/94/357514594.db2.gz WKTLMFLFUFSDHN-NSHDSACASA-N 1 0 322.365 1.546 20 5 DDBDRO CC[C@@H]1CN(C(=O)c2ccc(NC)c([N+](=O)[O-])c2)C[C@H](C)[NH2+]1 ZINC000598535880 357625129 /nfs/dbraw/zinc/62/51/29/357625129.db2.gz KMTODKILHRAAOM-CMPLNLGQSA-N 1 0 306.366 1.849 20 5 DDBDRO COC(=O)c1ccnc(N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000598589082 357643419 /nfs/dbraw/zinc/64/34/19/357643419.db2.gz CVUFVKBDWALIFM-VXGBXAGGSA-N 1 0 320.349 1.815 20 5 DDBDRO COC(=O)c1ccnc(N(C)C[C@@H]2CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000598599038 357648533 /nfs/dbraw/zinc/64/85/33/357648533.db2.gz XGYCLEANRXFIBH-LLVKDONJSA-N 1 0 322.365 1.554 20 5 DDBDRO COc1ccc(C(=O)N2CC[NH2+][C@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000598576306 357638994 /nfs/dbraw/zinc/63/89/94/357638994.db2.gz QTGRFTFHSVAHGT-LBPRGKRZSA-N 1 0 307.350 1.673 20 5 DDBDRO NC(=O)c1ccc(CN2C[C@@H]3CCC[C@@]3([NH3+])C2)c([N+](=O)[O-])c1 ZINC000598682861 357685873 /nfs/dbraw/zinc/68/58/73/357685873.db2.gz PLKQORNTRYKQFD-SWLSCSKDSA-N 1 0 304.350 1.007 20 5 DDBDRO Cc1ccc(S(=O)(=O)NC[C@@H](C)C[NH3+])c(C)c1[N+](=O)[O-] ZINC000598713333 357700749 /nfs/dbraw/zinc/70/07/49/357700749.db2.gz AYWATVGPACEZAX-QMMMGPOBSA-N 1 0 301.368 1.085 20 5 DDBDRO C[NH2+]C[C@H]1CCN(C(=O)COc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000178982143 198964186 /nfs/dbraw/zinc/96/41/86/198964186.db2.gz CAIOKDMXABQBQE-LLVKDONJSA-N 1 0 323.349 1.050 20 5 DDBDRO COCC[NH2+]CCNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000598913239 357756785 /nfs/dbraw/zinc/75/67/85/357756785.db2.gz FZUCLJVZIDARSF-UHFFFAOYSA-N 1 0 300.290 1.091 20 5 DDBDRO O=C(Nc1ccc([N+](=O)[O-])cc1F)N[C@H]1CC12CC[NH2+]CC2 ZINC000598915936 357757751 /nfs/dbraw/zinc/75/77/51/357757751.db2.gz QVTLXDCVYDUXDB-LBPRGKRZSA-N 1 0 308.313 1.998 20 5 DDBDRO CN1CCO[C@@H](CNc2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000599034530 357799034 /nfs/dbraw/zinc/79/90/34/357799034.db2.gz FIKVARIPYSBRGW-LBPRGKRZSA-N 1 0 302.334 1.886 20 5 DDBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1C[C@@H](O)C1 ZINC000599085316 357810475 /nfs/dbraw/zinc/81/04/75/357810475.db2.gz PIGGGSIRUJNXGJ-GYSYKLTISA-N 1 0 307.350 1.672 20 5 DDBDRO NC(=O)[C@@H]1CCCN1CCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000598991441 357786152 /nfs/dbraw/zinc/78/61/52/357786152.db2.gz YYQBGPXGWVIQES-AWEZNQCLSA-N 1 0 306.366 1.024 20 5 DDBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000599160614 357833071 /nfs/dbraw/zinc/83/30/71/357833071.db2.gz ONBOEEZOEPVJNM-UHFFFAOYSA-N 1 0 320.393 1.989 20 5 DDBDRO CN(C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000347890593 283291583 /nfs/dbraw/zinc/29/15/83/283291583.db2.gz KDWBUUSUFWJTHN-GFCCVEGCSA-N 1 0 321.381 1.222 20 5 DDBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000599910742 358078741 /nfs/dbraw/zinc/07/87/41/358078741.db2.gz SYOLROXPJMXKRE-CYBMUJFWSA-N 1 0 304.350 1.679 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)c1 ZINC000599998943 358100270 /nfs/dbraw/zinc/10/02/70/358100270.db2.gz BDYHBRNFPDPHOR-IMRBUKKESA-N 1 0 305.334 1.235 20 5 DDBDRO CCCc1n[nH]c(C(=O)NC[C@H]2CCCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000600313102 358193364 /nfs/dbraw/zinc/19/33/64/358193364.db2.gz HSYQTXBGBBZRPR-LLVKDONJSA-N 1 0 323.397 1.732 20 5 DDBDRO C[N@@H+]1CCCC[C@@H](CNC(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000600316294 358194891 /nfs/dbraw/zinc/19/48/91/358194891.db2.gz ZDPDXERXOUDAHD-AWEZNQCLSA-N 1 0 305.378 1.985 20 5 DDBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1CCCO1 ZINC000180452442 199161694 /nfs/dbraw/zinc/16/16/94/199161694.db2.gz SBZVOMFDJUSLEN-ZOWXZIJZSA-N 1 0 321.377 1.929 20 5 DDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CC2CC=CC2)cc1 ZINC000600751374 358307457 /nfs/dbraw/zinc/30/74/57/358307457.db2.gz QRPWHVSTEUWINY-UHFFFAOYSA-N 1 0 310.375 1.924 20 5 DDBDRO CO[C@H]1C[C@@H](C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000600759985 358309408 /nfs/dbraw/zinc/30/94/08/358309408.db2.gz JETXZEFBASPCBB-CORIIIEPSA-N 1 0 310.350 1.349 20 5 DDBDRO COc1cc(CN[C@@H]2CC[C@H](C)[NH2+]C2)c([N+](=O)[O-])cc1OC ZINC000600679634 358281279 /nfs/dbraw/zinc/28/12/79/358281279.db2.gz MKXUSRQFXWXVGH-CMPLNLGQSA-N 1 0 309.366 1.842 20 5 DDBDRO C[NH2+]C1(CNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CCC1 ZINC000600826517 358327687 /nfs/dbraw/zinc/32/76/87/358327687.db2.gz MSCDZEHLXIEFGM-UHFFFAOYSA-N 1 0 307.306 1.195 20 5 DDBDRO O=[N+]([O-])c1ccc(OCc2cn(C[C@H]3CCC[NH2+]3)nn2)cc1 ZINC000600976736 358366374 /nfs/dbraw/zinc/36/63/74/358366374.db2.gz XOJIMBODENDVHP-LLVKDONJSA-N 1 0 303.322 1.517 20 5 DDBDRO COC[C@@](C)(O)CCNc1ccnc2ccc([N+](=O)[O-])cc21 ZINC000601171021 358431687 /nfs/dbraw/zinc/43/16/87/358431687.db2.gz ZDTJIOAORJFRMZ-HNNXBMFYSA-N 1 0 305.334 1.764 20 5 DDBDRO COC(=O)c1cnc(N2CC([NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000601194292 358441264 /nfs/dbraw/zinc/44/12/64/358441264.db2.gz XQZFFMAXAIVPSW-UHFFFAOYSA-N 1 0 306.322 1.061 20 5 DDBDRO CC[C@@H]1[C@@H](C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)CC[N@@H+]1C ZINC000601411374 358540969 /nfs/dbraw/zinc/54/09/69/358540969.db2.gz VCESVRYBTFBGKV-DZGCQCFKSA-N 1 0 318.377 1.605 20 5 DDBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000601422097 358545234 /nfs/dbraw/zinc/54/52/34/358545234.db2.gz PJAIUCMEJCSJTK-BDAKNGLRSA-N 1 0 319.408 1.369 20 5 DDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC1([NH+](C)C)CC1 ZINC000601448252 358558281 /nfs/dbraw/zinc/55/82/81/358558281.db2.gz DLNAKKLMVYLPND-UHFFFAOYSA-N 1 0 313.379 1.276 20 5 DDBDRO CCC1([NH+](C)C)CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000601791053 358696741 /nfs/dbraw/zinc/69/67/41/358696741.db2.gz FSJSWZLJRMKDST-UHFFFAOYSA-N 1 0 323.397 1.514 20 5 DDBDRO COc1cc(C(=O)N2C[C@H]([NH3+])[C@@H](C)C2)cc([N+](=O)[O-])c1OC ZINC000565596602 304078959 /nfs/dbraw/zinc/07/89/59/304078959.db2.gz ITCJXDKNSSUFJE-WPRPVWTQSA-N 1 0 309.322 1.031 20 5 DDBDRO C[NH+](C)[C@@H]1C[C@@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000602174791 358864320 /nfs/dbraw/zinc/86/43/20/358864320.db2.gz UQRDJXAZQYOKNI-ZIAGYGMSSA-N 1 0 305.378 1.982 20 5 DDBDRO C[N@@H+]1CC[C@@H](CC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1 ZINC000602140997 358841112 /nfs/dbraw/zinc/84/11/12/358841112.db2.gz KCTBZYBDXMLQTK-LBPRGKRZSA-N 1 0 321.381 1.297 20 5 DDBDRO C[NH2+]CCCNC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000602425287 358968526 /nfs/dbraw/zinc/96/85/26/358968526.db2.gz OUOCQVAEXWFOON-UHFFFAOYSA-N 1 0 316.155 1.697 20 5 DDBDRO C[NH2+]CCOCCN(C)C(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000602546420 359038785 /nfs/dbraw/zinc/03/87/85/359038785.db2.gz SAWKRKQAACOTJW-UHFFFAOYSA-N 1 0 301.368 1.273 20 5 DDBDRO CCOc1ccc(C(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)cc1[N+](=O)[O-] ZINC000602555971 359043065 /nfs/dbraw/zinc/04/30/65/359043065.db2.gz SCINJNJFWPCFTJ-CMPLNLGQSA-N 1 0 307.350 1.864 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000602843253 359231156 /nfs/dbraw/zinc/23/11/56/359231156.db2.gz ZLUOECNMCCAGHE-AWEZNQCLSA-N 1 0 308.382 1.848 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000602843196 359231350 /nfs/dbraw/zinc/23/13/50/359231350.db2.gz WERNWIYYNUDZDW-MJBXVCDLSA-N 1 0 308.382 1.725 20 5 DDBDRO CC(=O)NCC[C@H]1CCC[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602831817 359223699 /nfs/dbraw/zinc/22/36/99/359223699.db2.gz IFZYVOBZDNMMJN-CQSZACIVSA-N 1 0 323.397 1.338 20 5 DDBDRO CSC[C@H](O)C[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602961777 359325666 /nfs/dbraw/zinc/32/56/66/359325666.db2.gz CQFFOHMIZIKMSO-CHWSQXEVSA-N 1 0 300.380 1.116 20 5 DDBDRO C[C@@H]1CN(CC[NH2+][C@@](C)(CO)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000602963674 359326370 /nfs/dbraw/zinc/32/63/70/359326370.db2.gz YHHHEXCGIUBFBN-CJNGLKHVSA-N 1 0 323.393 1.113 20 5 DDBDRO CN(CC1([NH+](C)C)CCC1)C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000187941609 200180919 /nfs/dbraw/zinc/18/09/19/200180919.db2.gz WXTLEOHZYWJFFP-UHFFFAOYSA-N 1 0 306.366 1.733 20 5 DDBDRO C[C@@H]1CC[C@](CO)([N@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000187982194 200186605 /nfs/dbraw/zinc/18/66/05/200186605.db2.gz VYNUQHZYQBGADJ-BZNIZROVSA-N 1 0 321.377 1.677 20 5 DDBDRO C[N@@H+]1CCC[C@H](NC(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000604199713 359725367 /nfs/dbraw/zinc/72/53/67/359725367.db2.gz TYNKBAOIXOTXIY-NSHDSACASA-N 1 0 309.391 1.897 20 5 DDBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])cn1C)C[NH+]1CCCCC1 ZINC000604266973 359731009 /nfs/dbraw/zinc/73/10/09/359731009.db2.gz AYBDPMKNSWIELG-LBPRGKRZSA-N 1 0 308.382 1.785 20 5 DDBDRO CC(C)[NH2+][C@H]1CCCN(C(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000604561710 359770901 /nfs/dbraw/zinc/77/09/01/359770901.db2.gz SGHXMLMZMCXTKD-ZDUSSCGKSA-N 1 0 321.377 1.963 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000604551752 359765345 /nfs/dbraw/zinc/76/53/45/359765345.db2.gz BXKBLMKTTDREKC-LLVKDONJSA-N 1 0 323.397 1.336 20 5 DDBDRO Cc1c(C(=O)N2CCC(C[NH3+])CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000237734480 202342182 /nfs/dbraw/zinc/34/21/82/202342182.db2.gz WVZVCRPCQGAUST-UHFFFAOYSA-N 1 0 322.321 1.622 20 5 DDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](C)N1CCOCC1 ZINC000449068595 296007010 /nfs/dbraw/zinc/00/70/10/296007010.db2.gz CAOCEBBSASZRQM-KBPBESRZSA-N 1 0 307.394 1.836 20 5 DDBDRO COCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000609268778 360285894 /nfs/dbraw/zinc/28/58/94/360285894.db2.gz BAGBGZMZWJSUGA-CQSZACIVSA-N 1 0 321.377 1.744 20 5 DDBDRO COCC[N@@H+]1CCC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000609279536 360286797 /nfs/dbraw/zinc/28/67/97/360286797.db2.gz FIPKBVPJLJVMKN-ZDUSSCGKSA-N 1 0 322.365 1.827 20 5 DDBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])cn2C)[C@@H](C)C1 ZINC000610177831 360388381 /nfs/dbraw/zinc/38/83/81/360388381.db2.gz HUXVWSPPVVOONH-WCQYABFASA-N 1 0 308.382 1.736 20 5 DDBDRO C[C@H]1C[C@H](NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C[N@@H+]1C1CC1 ZINC000610654057 360492172 /nfs/dbraw/zinc/49/21/72/360492172.db2.gz GVVMHBIWPJJXLJ-QWRGUYRKSA-N 1 0 321.381 1.268 20 5 DDBDRO CC[NH+]1CCN([C@H]2CCN(c3sccc3[N+](=O)[O-])C2)CC1 ZINC000611412648 360714844 /nfs/dbraw/zinc/71/48/44/360714844.db2.gz KBQUDMSRBITYPV-LBPRGKRZSA-N 1 0 310.423 1.873 20 5 DDBDRO C[NH+](C)[C@H]1CN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C[C@@H]1O ZINC000292449636 223088460 /nfs/dbraw/zinc/08/84/60/223088460.db2.gz WRTVGVJOGXOKRN-RYUDHWBXSA-N 1 0 319.283 1.725 20 5 DDBDRO C[NH+](C)CCNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000292760787 223235921 /nfs/dbraw/zinc/23/59/21/223235921.db2.gz SHWIQIVOHMIYJI-UHFFFAOYSA-N 1 0 305.256 1.905 20 5 DDBDRO CN(C(=O)COc1cccc([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000193322433 201029037 /nfs/dbraw/zinc/02/90/37/201029037.db2.gz DVVNUZUQFSXYPL-UHFFFAOYSA-N 1 0 307.350 1.526 20 5 DDBDRO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000193538420 201070761 /nfs/dbraw/zinc/07/07/61/201070761.db2.gz SQHKHLTWKSAQRO-NEPJUHHUSA-N 1 0 306.366 1.654 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCCCC[NH3+])c1C ZINC000194741382 201280173 /nfs/dbraw/zinc/28/01/73/201280173.db2.gz FIJQGNZEJXNPBQ-UHFFFAOYSA-N 1 0 301.368 1.229 20 5 DDBDRO [NH3+]CCCCNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000194744347 201283444 /nfs/dbraw/zinc/28/34/44/201283444.db2.gz CSVWACQJJATMRW-UHFFFAOYSA-N 1 0 307.759 1.265 20 5 DDBDRO O=C(C[N@@H+](CCO)C1CCOCC1)Nc1ccccc1[N+](=O)[O-] ZINC000275458556 212346011 /nfs/dbraw/zinc/34/60/11/212346011.db2.gz BOKXSKCPNBXDPR-UHFFFAOYSA-N 1 0 323.349 1.007 20 5 DDBDRO C[NH2+][C@@H](C)CNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000261723709 203102660 /nfs/dbraw/zinc/10/26/60/203102660.db2.gz KYMCMBAGATUJCO-VIFPVBQESA-N 1 0 315.757 1.741 20 5 DDBDRO CC[C@H](C)C[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000093066035 193199542 /nfs/dbraw/zinc/19/95/42/193199542.db2.gz OVHCYRONBSZEDT-NSHDSACASA-N 1 0 315.395 1.509 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261901156 203147707 /nfs/dbraw/zinc/14/77/07/203147707.db2.gz WHBBMYIOXZWTCN-BETUJISGSA-N 1 0 303.362 1.975 20 5 DDBDRO O=C(CCOc1ccccc1[N+](=O)[O-])NC[C@@H]1CCC[NH2+]C1 ZINC000262509677 203313697 /nfs/dbraw/zinc/31/36/97/203313697.db2.gz KYSJPEUHLKHTOP-GFCCVEGCSA-N 1 0 307.350 1.480 20 5 DDBDRO C[NH+](C)[C@@H]1CCCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000264644602 204050304 /nfs/dbraw/zinc/05/03/04/204050304.db2.gz WKEUVBALJHIGPS-HUUCEWRRSA-N 1 0 323.393 1.361 20 5 DDBDRO C[C@H](Cn1cccn1)[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000265040647 204360337 /nfs/dbraw/zinc/36/03/37/204360337.db2.gz IASGDRPCFKCRRP-SNVBAGLBSA-N 1 0 303.322 1.069 20 5 DDBDRO C[C@@H](Cn1cccn1)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000265056437 204369568 /nfs/dbraw/zinc/36/95/68/204369568.db2.gz LBSWPUXRZFAIKW-LBPRGKRZSA-N 1 0 317.349 1.798 20 5 DDBDRO COCC[N@@H+]1CCCN(C(=O)c2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000266094911 205093591 /nfs/dbraw/zinc/09/35/91/205093591.db2.gz QFVSAPDPUYSJQJ-UHFFFAOYSA-N 1 0 321.377 1.698 20 5 DDBDRO CO[C@@H]1CCC[C@@H]1C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000566673511 304175092 /nfs/dbraw/zinc/17/50/92/304175092.db2.gz PAWLVBMOPRIOTH-VNHYZAJKSA-N 1 0 324.377 1.739 20 5 DDBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000288473185 220165764 /nfs/dbraw/zinc/16/57/64/220165764.db2.gz QNGMAAAPGGREKA-DGCLKSJQSA-N 1 0 318.377 1.876 20 5 DDBDRO C[N@H+](C[C@H](O)CNCCNc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001120468340 781965379 /nfs/dbraw/zinc/96/53/79/781965379.db2.gz MGBBDEGPRUUCDR-OAHLLOKOSA-N 1 0 308.382 1.051 20 5 DDBDRO CCOc1cc(N2CC[NH+](CCCCO)CC2)ccc1[N+](=O)[O-] ZINC000267364421 206012166 /nfs/dbraw/zinc/01/21/66/206012166.db2.gz APEHBXXLTHFTKG-UHFFFAOYSA-N 1 0 323.393 1.888 20 5 DDBDRO C[NH+](C)CCn1nccc1NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000359489517 299457635 /nfs/dbraw/zinc/45/76/35/299457635.db2.gz IEWGNROWMGFBAH-UHFFFAOYSA-N 1 0 321.312 1.744 20 5 DDBDRO O=[N+]([O-])c1cc(F)c(C[NH2+][C@@H](CO)C2CCOCC2)c(F)c1 ZINC000351755872 284502073 /nfs/dbraw/zinc/50/20/73/284502073.db2.gz JUXYPBVXZZTOBK-AWEZNQCLSA-N 1 0 316.304 1.750 20 5 DDBDRO C[C@H]1[C@@H](CO)CC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337478268 249519654 /nfs/dbraw/zinc/51/96/54/249519654.db2.gz UFCUVYKRIREALX-NWDGAFQWSA-N 1 0 307.350 1.626 20 5 DDBDRO COc1cccc(C(=O)N2CC[C@]3(C2)CCC[NH2+]C3)c1[N+](=O)[O-] ZINC000579581923 422794598 /nfs/dbraw/zinc/79/45/98/422794598.db2.gz ZHDLZUBZRDBMPC-MRXNPFEDSA-N 1 0 319.361 1.819 20 5 DDBDRO NC(=O)c1cccc(N2CC[C@H](C[NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000338672740 250084792 /nfs/dbraw/zinc/08/47/92/250084792.db2.gz JVQKJLRUWQBTNO-GFCCVEGCSA-N 1 0 318.377 1.616 20 5 DDBDRO C[NH+](C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)c1cccc(F)c1 ZINC000284837650 218200426 /nfs/dbraw/zinc/20/04/26/218200426.db2.gz BSDWAFCFNXCJCZ-LBPRGKRZSA-N 1 0 321.312 1.490 20 5 DDBDRO NC(=O)C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000339139772 250312147 /nfs/dbraw/zinc/31/21/47/250312147.db2.gz JEECMDPSJQFTTQ-LBPRGKRZSA-N 1 0 307.350 1.704 20 5 DDBDRO C[NH+](C)[C@@H]1CCCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000109807594 194288371 /nfs/dbraw/zinc/28/83/71/194288371.db2.gz QEPYVLYDDGQGLU-OAHLLOKOSA-N 1 0 320.393 1.949 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[N@@H+](C(C)C)CC1 ZINC000340618858 251140621 /nfs/dbraw/zinc/14/06/21/251140621.db2.gz ARKVMRPSXBPFRK-UHFFFAOYSA-N 1 0 306.366 1.855 20 5 DDBDRO Cc1n[nH]c(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1[N+](=O)[O-] ZINC000269023399 207173110 /nfs/dbraw/zinc/17/31/10/207173110.db2.gz QIGAAVSCRRJLHH-QWRGUYRKSA-N 1 0 307.354 1.183 20 5 DDBDRO CC[C@@H]1C[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@@H]1O ZINC000341042252 251350598 /nfs/dbraw/zinc/35/05/98/251350598.db2.gz HEUQOASJMYLDNJ-UGFHNGPFSA-N 1 0 319.361 1.403 20 5 DDBDRO Cc1c(NC(=O)CC[N@@H+]2CCC[C@@H]2CO)cccc1[N+](=O)[O-] ZINC000063512772 184283837 /nfs/dbraw/zinc/28/38/37/184283837.db2.gz HTEGEGKBIVJAOW-GFCCVEGCSA-N 1 0 307.350 1.689 20 5 DDBDRO COC[C@@]1(CNC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CCC[NH2+]1 ZINC000414655822 532955513 /nfs/dbraw/zinc/95/55/13/532955513.db2.gz HNJJFLNTPDKULL-HNNXBMFYSA-N 1 0 322.365 1.793 20 5 DDBDRO COc1cc(C[N@@H+]2C[C@H](C(N)=O)CC[C@H]2C)ccc1[N+](=O)[O-] ZINC000352404120 285028531 /nfs/dbraw/zinc/02/85/31/285028531.db2.gz CGCLMCGKIYZDIR-ZYHUDNBSSA-N 1 0 307.350 1.689 20 5 DDBDRO Cc1c(CN2C(=O)N[C@]3(CCC[NH2+]C3)C2=O)cccc1[N+](=O)[O-] ZINC000567809508 304244425 /nfs/dbraw/zinc/24/44/25/304244425.db2.gz WPIIXGBSUGUZIP-HNNXBMFYSA-N 1 0 318.333 1.077 20 5 DDBDRO CO[C@@](C)([C@@H](C)[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CC1 ZINC000411961720 533005782 /nfs/dbraw/zinc/00/57/82/533005782.db2.gz ARYAVSIGVZATJT-HWPZZCPQSA-N 1 0 321.377 1.987 20 5 DDBDRO COc1ccc(OCC[N@H+](C)C(C)(C)C(N)=O)c([N+](=O)[O-])c1 ZINC000295804799 533014842 /nfs/dbraw/zinc/01/48/42/533014842.db2.gz WINZFOUEADIHDC-UHFFFAOYSA-N 1 0 311.338 1.178 20 5 DDBDRO C[NH2+][C@H]1CCCN(C(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000417182484 533019630 /nfs/dbraw/zinc/01/96/30/533019630.db2.gz JFUIWSWRPQDTSS-LBPRGKRZSA-N 1 0 322.365 1.497 20 5 DDBDRO C[NH2+][C@@H](C)Cc1noc(CCC(=O)c2cccc([N+](=O)[O-])c2)n1 ZINC000567849979 304247776 /nfs/dbraw/zinc/24/77/76/304247776.db2.gz UHUWQOIYYKENDA-JTQLQIEISA-N 1 0 318.333 1.944 20 5 DDBDRO O=[N+]([O-])c1ccc(CS(=O)(=O)NCC[C@H]2CCC[NH2+]2)cc1 ZINC000166796617 285116288 /nfs/dbraw/zinc/11/62/88/285116288.db2.gz LJLHKGBLZQAPGX-GFCCVEGCSA-N 1 0 313.379 1.156 20 5 DDBDRO O=C(CNc1ccccc1[N+](=O)[O-])N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000158853035 197306003 /nfs/dbraw/zinc/30/60/03/197306003.db2.gz IYRODIBEYDNLEP-OAHLLOKOSA-N 1 0 304.350 1.219 20 5 DDBDRO CNc1nc(C(=O)N2C[C@@H](C)[C@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000455775769 533074287 /nfs/dbraw/zinc/07/42/87/533074287.db2.gz RSJZIEFQIAWEQC-BXKDBHETSA-N 1 0 307.354 1.054 20 5 DDBDRO C[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1N)C1=CC[N@H+](C)CC1 ZINC000272915910 210303013 /nfs/dbraw/zinc/30/30/13/210303013.db2.gz JWRVJVLPGVHNJX-SECBINFHSA-N 1 0 322.340 1.696 20 5 DDBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@@H](C)[NH3+])cc1SC ZINC000449594279 533132611 /nfs/dbraw/zinc/13/26/11/533132611.db2.gz XUSTVXAYUMXRQI-SFYZADRCSA-N 1 0 313.379 1.791 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@H]1CCC[C@H]1O ZINC000352661544 285205306 /nfs/dbraw/zinc/20/53/06/285205306.db2.gz UALZPJGHNAVZEL-UONOGXRCSA-N 1 0 307.350 1.687 20 5 DDBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCC[C@@H]1O ZINC000352669322 285212389 /nfs/dbraw/zinc/21/23/89/285212389.db2.gz YUXSYXPHUOUBRE-KBPBESRZSA-N 1 0 307.350 1.769 20 5 DDBDRO C[NH2+]CCN(C)C(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000120496765 195178422 /nfs/dbraw/zinc/17/84/22/195178422.db2.gz VRMHXTTVWOTXMM-UHFFFAOYSA-N 1 0 313.379 1.617 20 5 DDBDRO C[C@@H]1CSC[C@H]1[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000352814319 285318418 /nfs/dbraw/zinc/31/84/18/285318418.db2.gz HIGLWPLXNPIMQH-MPKXVKKWSA-N 1 0 312.391 1.676 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCCN(CCCO)C1 ZINC000295022893 224386021 /nfs/dbraw/zinc/38/60/21/224386021.db2.gz CLCBIWRQMZBRJT-OAHLLOKOSA-N 1 0 307.394 1.840 20 5 DDBDRO COCC[N@H+](C)CCCNC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000490636811 533311609 /nfs/dbraw/zinc/31/16/09/533311609.db2.gz DWMWSYJFBXKOBB-FPLPWBNLSA-N 1 0 321.377 1.693 20 5 DDBDRO CC[NH2+]CCN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000423236597 285600402 /nfs/dbraw/zinc/60/04/02/285600402.db2.gz OLJRFXUAGDKBHT-CQSZACIVSA-N 1 0 303.366 1.617 20 5 DDBDRO O=[N+]([O-])c1cccnc1N1CCN(CC[NH+]2CCCCC2)CC1 ZINC000298148265 296517421 /nfs/dbraw/zinc/51/74/21/296517421.db2.gz RHJMKHXMPZQHGD-UHFFFAOYSA-N 1 0 319.409 1.598 20 5 DDBDRO O=C(CNc1ccccc1[N+](=O)[O-])N[C@H]1C[C@@H]1C1CC[NH2+]CC1 ZINC000361118541 299803863 /nfs/dbraw/zinc/80/38/63/299803863.db2.gz VMSPTAZZFUGCMF-OCCSQVGLSA-N 1 0 318.377 1.511 20 5 DDBDRO CC[NH+]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000068127859 406617685 /nfs/dbraw/zinc/61/76/85/406617685.db2.gz SINACVBUZDOBTL-UHFFFAOYSA-N 1 0 306.366 1.561 20 5 DDBDRO C[C@@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)C[NH+]1CCCC1 ZINC000068179840 406623690 /nfs/dbraw/zinc/62/36/90/406623690.db2.gz XLRHGYBXEJLJSW-JTQLQIEISA-N 1 0 324.356 1.778 20 5 DDBDRO C[C@@H](CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[N@H+](C)C1CC1 ZINC000068216794 406625882 /nfs/dbraw/zinc/62/58/82/406625882.db2.gz XDEKJGZNXZTWIQ-VIFPVBQESA-N 1 0 317.349 1.684 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC(C[NH3+])CC1 ZINC000036296808 406978265 /nfs/dbraw/zinc/97/82/65/406978265.db2.gz YZVGFGLPHHOCAD-UHFFFAOYSA-N 1 0 313.379 1.263 20 5 DDBDRO Cc1cccc(C(=O)NCCCC[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000047214487 407071931 /nfs/dbraw/zinc/07/19/31/407071931.db2.gz IKGQCFKJXPRGCI-UHFFFAOYSA-N 1 0 321.377 1.745 20 5 DDBDRO CC(=O)NC1CC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000050989796 407133104 /nfs/dbraw/zinc/13/31/04/407133104.db2.gz DALLVQNHMKIOOR-UHFFFAOYSA-N 1 0 321.377 1.964 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCN(C[C@H]3CCC[NH2+]C3)CC2)cn1 ZINC000057871733 407218393 /nfs/dbraw/zinc/21/83/93/407218393.db2.gz CTLGMSYOSCDVDL-ZDUSSCGKSA-N 1 0 305.382 1.111 20 5 DDBDRO O=C(CN1CCCC[C@@H]1CO)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000123010041 407316473 /nfs/dbraw/zinc/31/64/73/407316473.db2.gz UOOCETHGANSAQR-CQSZACIVSA-N 1 0 319.361 1.331 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H]1CO ZINC000101546690 407310654 /nfs/dbraw/zinc/31/06/54/407310654.db2.gz GNENHLPKUWEYGY-GFCCVEGCSA-N 1 0 323.349 1.389 20 5 DDBDRO CC[N@H+](C)CCNC(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000112926237 407447699 /nfs/dbraw/zinc/44/76/99/407447699.db2.gz HXBQHWLKEJUPSB-UHFFFAOYSA-N 1 0 311.338 1.050 20 5 DDBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)[C@@H]1COc2ccccc21 ZINC000185578119 407454165 /nfs/dbraw/zinc/45/41/65/407454165.db2.gz ISNNRCFHLBFJMM-FZMZJTMJSA-N 1 0 302.334 1.946 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@@H]2CCCC[C@@H]2n2cccn2)n1 ZINC000128602249 407555177 /nfs/dbraw/zinc/55/51/77/407555177.db2.gz AGBONTVSNPWVOC-OLZOCXBDSA-N 1 0 304.354 1.761 20 5 DDBDRO CCC[C@@](C)([NH3+])C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000261674241 407573878 /nfs/dbraw/zinc/57/38/78/407573878.db2.gz HMSLGQHGRCRUNH-MRXNPFEDSA-N 1 0 320.393 1.761 20 5 DDBDRO CC(C)OC(=O)C[C@H](NC(=O)[C@@H](C)[NH3+])c1ccccc1[N+](=O)[O-] ZINC000151857162 407514713 /nfs/dbraw/zinc/51/47/13/407514713.db2.gz BWAXXYVZYFQEFT-PWSUYJOCSA-N 1 0 323.349 1.441 20 5 DDBDRO COc1cc(C(=O)NC[C@@H]2CC[N@H+](C)C2)cc([N+](=O)[O-])c1OC ZINC000265950217 407522234 /nfs/dbraw/zinc/52/22/34/407522234.db2.gz MGSWJNOHXVJWLC-JTQLQIEISA-N 1 0 323.349 1.294 20 5 DDBDRO COC(=O)[C@H](C)CN(C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000114063335 407535726 /nfs/dbraw/zinc/53/57/26/407535726.db2.gz XQOHHALUYCLOSM-LLVKDONJSA-N 1 0 323.349 1.583 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC([C@H](C)[NH3+])CC2)c1 ZINC000178810814 407610886 /nfs/dbraw/zinc/61/08/86/407610886.db2.gz JEGWYSNTPVJZOF-JTQLQIEISA-N 1 0 307.350 1.803 20 5 DDBDRO [NH3+]CCN(CCc1ccccc1)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000261839752 407634768 /nfs/dbraw/zinc/63/47/68/407634768.db2.gz ZYCIRRJBVVVQNX-UHFFFAOYSA-N 1 0 302.334 1.567 20 5 DDBDRO CCc1ccc(C(=O)N[C@H]2CC[N@H+](CCOC)C2)cc1[N+](=O)[O-] ZINC000266873074 407656611 /nfs/dbraw/zinc/65/66/11/407656611.db2.gz ANLYUSRQTIDWTK-AWEZNQCLSA-N 1 0 321.377 1.608 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@H]2OCCN(C)[C@H]2C1 ZINC000152949421 407720705 /nfs/dbraw/zinc/72/07/05/407720705.db2.gz HEEIWRLBZOCLHE-UONOGXRCSA-N 1 0 305.334 1.058 20 5 DDBDRO CC(C)C[C@@](C)(C[NH3+])NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000236667602 407746377 /nfs/dbraw/zinc/74/63/77/407746377.db2.gz RHUWJQDLPXTMOI-HNNXBMFYSA-N 1 0 308.382 1.886 20 5 DDBDRO C[NH+](C)[C@@H]1CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000153178580 407770459 /nfs/dbraw/zinc/77/04/59/407770459.db2.gz RFKTWNTZGSVFLP-CYBMUJFWSA-N 1 0 313.379 1.061 20 5 DDBDRO COC[C@@]1(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)CC[NH2+]C1 ZINC000262442165 407837020 /nfs/dbraw/zinc/83/70/20/407837020.db2.gz GXCVFWBKJDWXOO-IAQYHMDHSA-N 1 0 307.350 1.398 20 5 DDBDRO Cc1ccc(S(=O)(=O)NC2(C[NH3+])CCCC2)c([N+](=O)[O-])c1 ZINC000237735782 407839101 /nfs/dbraw/zinc/83/91/01/407839101.db2.gz DLBHTZRFHSXGBP-UHFFFAOYSA-N 1 0 313.379 1.453 20 5 DDBDRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000237923498 407852416 /nfs/dbraw/zinc/85/24/16/407852416.db2.gz UQVXBAKSZRMEHM-TVQRCGJNSA-N 1 0 322.321 1.750 20 5 DDBDRO O=[N+]([O-])c1cc(Cl)cnc1NCCC[NH+]1CCC(O)CC1 ZINC000153604988 407862168 /nfs/dbraw/zinc/86/21/68/407862168.db2.gz SYXKIHHDHTXMJJ-UHFFFAOYSA-N 1 0 314.773 1.902 20 5 DDBDRO [NH3+]C[C@H]1CCCN1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000238051923 407878988 /nfs/dbraw/zinc/87/89/88/407878988.db2.gz AOBUOOSSPGKRFM-GFCCVEGCSA-N 1 0 315.333 1.344 20 5 DDBDRO COC(=O)c1cc(C(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)cc([N+](=O)[O-])c1 ZINC000272501711 407951090 /nfs/dbraw/zinc/95/10/90/407951090.db2.gz DUIFYYWDEUADPF-NXEZZACHSA-N 1 0 321.333 1.204 20 5 DDBDRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000154057568 407962545 /nfs/dbraw/zinc/96/25/45/407962545.db2.gz RJPBPZLNLBXRJR-HNNXBMFYSA-N 1 0 321.377 1.772 20 5 DDBDRO CNC(=O)c1ccc(N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000268171914 407925251 /nfs/dbraw/zinc/92/52/51/407925251.db2.gz QTWXJGVYMYZILG-IINYFYTJSA-N 1 0 318.377 1.849 20 5 DDBDRO CN(CC(=O)N1CCC[C@@H]1C[NH+](C)C)c1ccccc1[N+](=O)[O-] ZINC000268197780 407942813 /nfs/dbraw/zinc/94/28/13/407942813.db2.gz SXYZEQHYPFVMSE-CYBMUJFWSA-N 1 0 320.393 1.584 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)c1 ZINC000182036911 408068256 /nfs/dbraw/zinc/06/82/56/408068256.db2.gz JUMMQQJTPOKIQI-MCIONIFRSA-N 1 0 306.366 1.729 20 5 DDBDRO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)CC1(O)CCOCC1 ZINC000189788631 408107632 /nfs/dbraw/zinc/10/76/32/408107632.db2.gz GASXJWMSXKAJNU-UHFFFAOYSA-N 1 0 321.333 1.709 20 5 DDBDRO CCOc1ccc(C(=O)N2CC[NH2+]C(C)(C)C2)cc1[N+](=O)[O-] ZINC000175424221 408127426 /nfs/dbraw/zinc/12/74/26/408127426.db2.gz XMKOMCXETSATGZ-UHFFFAOYSA-N 1 0 307.350 1.818 20 5 DDBDRO COc1cc(C(=O)N[C@@H]2CCC[C@@H]2C[NH3+])cc([N+](=O)[O-])c1OC ZINC000269281430 408248242 /nfs/dbraw/zinc/24/82/42/408248242.db2.gz QPVLRSOCKJGDPV-MWLCHTKSSA-N 1 0 323.349 1.469 20 5 DDBDRO Cc1cc(C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)c(N)c([N+](=O)[O-])c1 ZINC000274215358 408328208 /nfs/dbraw/zinc/32/82/08/408328208.db2.gz XTGGOYRSDJFNCS-OAHLLOKOSA-N 1 0 304.350 1.311 20 5 DDBDRO CC[NH+]1CCN(CCC(=O)NCc2ccccc2[N+](=O)[O-])CC1 ZINC000122328474 408282379 /nfs/dbraw/zinc/28/23/79/408282379.db2.gz PGYQIIOEMLBNGD-UHFFFAOYSA-N 1 0 320.393 1.239 20 5 DDBDRO O=C(NC1CC1)N[C@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000274031420 408302625 /nfs/dbraw/zinc/30/26/25/408302625.db2.gz QLQDDFJCJZDPDN-AWEZNQCLSA-N 1 0 318.377 1.673 20 5 DDBDRO C[N@@H+]1CC[C@H](Cn2nnnc2Sc2ccc([N+](=O)[O-])cn2)C1 ZINC000131941473 162026763 /nfs/dbraw/zinc/02/67/63/162026763.db2.gz OXYUEYIJUHKHFX-VIFPVBQESA-N 1 0 321.366 1.079 20 5 DDBDRO C[N@@H+]1CC[C@H](Cn2nnnc2Sc2ncccc2[N+](=O)[O-])C1 ZINC000131944184 162026886 /nfs/dbraw/zinc/02/68/86/162026886.db2.gz ICLRYJNBQHHAFA-VIFPVBQESA-N 1 0 321.366 1.079 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000173052996 162320532 /nfs/dbraw/zinc/32/05/32/162320532.db2.gz SHLUGRSMNBBBIJ-JTQLQIEISA-N 1 0 311.386 1.192 20 5 DDBDRO NC(=O)C[C@@H]1CCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269631601 408368302 /nfs/dbraw/zinc/36/83/02/408368302.db2.gz FWXWSESOKRYCRB-SMDDNHRTSA-N 1 0 307.350 1.216 20 5 DDBDRO O=C(Cn1cc([N+](=O)[O-])cn1)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000173282400 162329869 /nfs/dbraw/zinc/32/98/69/162329869.db2.gz MUMSSJVNWSKRKU-ZDUSSCGKSA-N 1 0 321.381 1.172 20 5 DDBDRO Cc1c([C@H](C)[NH2+]CC(=O)N2CCOCC2)cccc1[N+](=O)[O-] ZINC000183360102 408389686 /nfs/dbraw/zinc/38/96/86/408389686.db2.gz HIAOHOJXSYOJDN-LBPRGKRZSA-N 1 0 307.350 1.413 20 5 DDBDRO C[C@@H]1CC(O)C[C@H](C)N1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000191279976 408398890 /nfs/dbraw/zinc/39/88/90/408398890.db2.gz PYUJCLQVGQJZPX-FOSCPWQOSA-N 1 0 307.350 1.767 20 5 DDBDRO CC(C)N(C)c1ccc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)cn1 ZINC000191365066 408412074 /nfs/dbraw/zinc/41/20/74/408412074.db2.gz KKTNBVIBVARIID-UHFFFAOYSA-N 1 0 318.381 1.821 20 5 DDBDRO COc1ccc(C(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000177130294 408527870 /nfs/dbraw/zinc/52/78/70/408527870.db2.gz DECHSJVQDGHIHW-PWSUYJOCSA-N 1 0 319.361 1.958 20 5 DDBDRO C[C@@H]1C[C@H](NC(=O)COc2ccccc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000177198707 408549502 /nfs/dbraw/zinc/54/95/02/408549502.db2.gz SKEKEJPYNHMTPE-NEPJUHHUSA-N 1 0 319.361 1.715 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000248466316 408574424 /nfs/dbraw/zinc/57/44/24/408574424.db2.gz SEJHFPFMMJRKGZ-CZUORRHYSA-N 1 0 322.361 1.447 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCO)CC2)c2ccncc21 ZINC000270552455 408575329 /nfs/dbraw/zinc/57/53/29/408575329.db2.gz HWYGOWIFPQWUCZ-UHFFFAOYSA-N 1 0 316.361 1.694 20 5 DDBDRO C[C@@H](c1ccncc1)[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000270551591 408576259 /nfs/dbraw/zinc/57/62/59/408576259.db2.gz BLHSPPCOVNJLTH-FZMZJTMJSA-N 1 0 305.338 1.240 20 5 DDBDRO C[C@@H]1C[C@@H](O)C[C@H](C)[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248697402 408618822 /nfs/dbraw/zinc/61/88/22/408618822.db2.gz ARTFGOJESFOSBV-XJFOESAGSA-N 1 0 324.377 1.568 20 5 DDBDRO C[NH+](C)CCNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000270690686 408638369 /nfs/dbraw/zinc/63/83/69/408638369.db2.gz XPNUIBALBSORNM-UHFFFAOYSA-N 1 0 300.746 1.609 20 5 DDBDRO Cn1ccnc1[C@H]1OCC[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000275693653 408649666 /nfs/dbraw/zinc/64/96/66/408649666.db2.gz XCROKVNSYLMXEU-KBPBESRZSA-N 1 0 302.334 1.948 20 5 DDBDRO Cn1cc([N+](=O)[O-])c(C(=O)NC2CC[NH+](C(C)(C)C)CC2)n1 ZINC000270740463 408660730 /nfs/dbraw/zinc/66/07/30/408660730.db2.gz FZYWVRLHYSZKCC-UHFFFAOYSA-N 1 0 309.370 1.321 20 5 DDBDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000270746069 408663404 /nfs/dbraw/zinc/66/34/04/408663404.db2.gz HFGOYJOEADUIFR-GRYCIOLGSA-N 1 0 323.397 1.425 20 5 DDBDRO CN(C)C(=O)[C@@H]1CCCN1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000193649361 408734158 /nfs/dbraw/zinc/73/41/58/408734158.db2.gz SOCZHELMBHBVRL-LBPRGKRZSA-N 1 0 322.321 1.556 20 5 DDBDRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2c([N+](=O)[O-])cnn2C)C1 ZINC000163605446 408783927 /nfs/dbraw/zinc/78/39/27/408783927.db2.gz ROOLIICVJQQSGG-NSHDSACASA-N 1 0 323.397 1.569 20 5 DDBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000185311554 408794657 /nfs/dbraw/zinc/79/46/57/408794657.db2.gz DPTKGNYWVGRBSF-NSHDSACASA-N 1 0 321.381 1.280 20 5 DDBDRO C[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C[C@H]1CCOC1 ZINC000178350492 408810378 /nfs/dbraw/zinc/81/03/78/408810378.db2.gz KUARZKSILNRHRI-LLVKDONJSA-N 1 0 308.334 1.930 20 5 DDBDRO C[NH+](C)C(C)(C)CNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000276032206 408756083 /nfs/dbraw/zinc/75/60/83/408756083.db2.gz DKXDUYPSGVGXNX-UHFFFAOYSA-N 1 0 315.395 1.750 20 5 DDBDRO C[C@@H](CNC(=O)c1c([N+](=O)[O-])cnn1C)C[NH+]1CCCCC1 ZINC000163086408 408759322 /nfs/dbraw/zinc/75/93/22/408759322.db2.gz SLOYAZKFDREUEM-NSHDSACASA-N 1 0 309.370 1.180 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])c(OC[C@H](O)C[N@H+](C)C2CC2)c1 ZINC000290794695 408834379 /nfs/dbraw/zinc/83/43/79/408834379.db2.gz OVLVVBFCSUBFLV-CYBMUJFWSA-N 1 0 309.366 1.495 20 5 DDBDRO O=c1nc(C2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)[nH][nH]1 ZINC000280974676 408868333 /nfs/dbraw/zinc/86/83/33/408868333.db2.gz KUHUUVXDBIVZCU-UHFFFAOYSA-N 1 0 317.349 1.428 20 5 DDBDRO CN1C(=O)N[C@@H]2C[N@@H+](CCOc3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000286069769 408918149 /nfs/dbraw/zinc/91/81/49/408918149.db2.gz UACXJYRFGOSURT-KGLIPLIRSA-N 1 0 320.349 1.072 20 5 DDBDRO C[N@@H+]1CC[C@H](Cn2cc(Br)c(=O)c([N+](=O)[O-])c2)C1 ZINC000191193255 163176769 /nfs/dbraw/zinc/17/67/69/163176769.db2.gz VBDVBOQAUVRPQU-QMMMGPOBSA-N 1 0 316.155 1.471 20 5 DDBDRO C[NH+](C)[C@H]1CCCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000277402653 408934800 /nfs/dbraw/zinc/93/48/00/408934800.db2.gz YNLKBUGMHVHAAF-NSHDSACASA-N 1 0 308.338 1.252 20 5 DDBDRO C[C@@H]1C[C@@H](C[NH3+])CN1S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000215999997 163331244 /nfs/dbraw/zinc/33/12/44/163331244.db2.gz ZFXVKFKEXZZXFU-PWSUYJOCSA-N 1 0 313.379 1.094 20 5 DDBDRO CCCN(CCn1cc([N+](=O)[O-])ccc1=O)CC[NH+]1CCCC1 ZINC000286218195 408944271 /nfs/dbraw/zinc/94/42/71/408944271.db2.gz YOYDZINXYNVHIE-UHFFFAOYSA-N 1 0 322.409 1.564 20 5 DDBDRO Cc1nn(C)c(C(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)c1[N+](=O)[O-] ZINC000287136191 409003760 /nfs/dbraw/zinc/00/37/60/409003760.db2.gz MZVULMCHDULCAI-NWDGAFQWSA-N 1 0 321.381 1.336 20 5 DDBDRO [NH3+]CC[C@@H]1CCCN(C(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000282099604 408991577 /nfs/dbraw/zinc/99/15/77/408991577.db2.gz ZHCCNCPLKGRFKM-ZDUSSCGKSA-N 1 0 320.393 1.984 20 5 DDBDRO C[C@H](O)C[N@@H+]1CCN(c2ccc([N+](=O)[O-])c3nonc32)[C@H](C)C1 ZINC000277791501 409012533 /nfs/dbraw/zinc/01/25/33/409012533.db2.gz NJIXGLTXAXHXQR-ZJUUUORDSA-N 1 0 321.337 1.022 20 5 DDBDRO CC[C@H](CO)[NH+]1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000277847503 409022574 /nfs/dbraw/zinc/02/25/74/409022574.db2.gz NBSFEGKTQSZELB-LLVKDONJSA-N 1 0 319.365 1.364 20 5 DDBDRO CCOC(=O)c1ccnc(N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c1[N+](=O)[O-] ZINC000278793468 409089405 /nfs/dbraw/zinc/08/94/05/409089405.db2.gz QMKPPEHQOCXJAW-PHIMTYICSA-N 1 0 320.349 1.164 20 5 DDBDRO COC[C@@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)[C@H]1CCCO1 ZINC000279091240 409147207 /nfs/dbraw/zinc/14/72/07/409147207.db2.gz PIGBTSGQRFHKNK-HUUCEWRRSA-N 1 0 310.350 1.757 20 5 DDBDRO CN1CCO[C@H](C(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000294057850 409232083 /nfs/dbraw/zinc/23/20/83/409232083.db2.gz JXANCFLZBHABKX-ZDUSSCGKSA-N 1 0 307.350 1.277 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC[N@@H+]2C)c1 ZINC000283933076 409242720 /nfs/dbraw/zinc/24/27/20/409242720.db2.gz KNRYOXBMLCGTRP-LLVKDONJSA-N 1 0 307.350 1.818 20 5 DDBDRO O=C(CN1CC[C@H]2CC[C@@H](C1)[NH2+]2)Nc1ccccc1[N+](=O)[O-] ZINC000262099621 163767995 /nfs/dbraw/zinc/76/79/95/163767995.db2.gz ISMDETWKUWPOEW-NEPJUHHUSA-N 1 0 304.350 1.360 20 5 DDBDRO CO[C@]1(C)CCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000280359178 409299626 /nfs/dbraw/zinc/29/96/26/409299626.db2.gz JPMIMRMNTQOBSB-OAHLLOKOSA-N 1 0 309.366 1.648 20 5 DDBDRO Cn1c(C(=O)Nc2nc3c(s2)C[C@@H]([NH3+])CC3)ccc1[N+](=O)[O-] ZINC000262530315 163844688 /nfs/dbraw/zinc/84/46/88/163844688.db2.gz PLJYKKCSNXDRGB-ZETCQYMHSA-N 1 0 321.362 1.458 20 5 DDBDRO CC[C@@H](C)[NH+]1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000295958492 409384287 /nfs/dbraw/zinc/38/42/87/409384287.db2.gz JEUNAWXSGVBCJM-SNVBAGLBSA-N 1 0 307.354 1.009 20 5 DDBDRO CC(C)[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C1COC1 ZINC000295278125 409411941 /nfs/dbraw/zinc/41/19/41/409411941.db2.gz CSBJHDOGACSFBF-ZDUSSCGKSA-N 1 0 310.350 1.444 20 5 DDBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@](C)(C(N)=O)C1 ZINC000280750017 409436689 /nfs/dbraw/zinc/43/66/89/409436689.db2.gz NFEPVVZUZCMBAC-BONVTDFDSA-N 1 0 320.349 1.119 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC000322339195 164047142 /nfs/dbraw/zinc/04/71/42/164047142.db2.gz BPZNZCQJDOXCJM-QWRGUYRKSA-N 1 0 320.349 1.815 20 5 DDBDRO COC(=O)c1cc(C)nc(NCC[N@H+](C)C(C)C)c1[N+](=O)[O-] ZINC000342095064 409561028 /nfs/dbraw/zinc/56/10/28/409561028.db2.gz PAMPWSUYCOJIRQ-UHFFFAOYSA-N 1 0 310.354 1.837 20 5 DDBDRO Cn1nccc1C1=CC[N@H+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000285597512 409504990 /nfs/dbraw/zinc/50/49/90/409504990.db2.gz LVOTZXGDWFTZHB-UHFFFAOYSA-N 1 0 302.338 1.314 20 5 DDBDRO C[C@H](C[NH+](C)C)NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000344917427 409554421 /nfs/dbraw/zinc/55/44/21/409554421.db2.gz QRVHZEZGPOEMRR-MRVPVSSYSA-N 1 0 321.786 1.477 20 5 DDBDRO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000354008011 409596455 /nfs/dbraw/zinc/59/64/55/409596455.db2.gz HBWSVRMKCMSNMY-NEPJUHHUSA-N 1 0 323.397 1.948 20 5 DDBDRO COc1cc(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)cc([N+](=O)[O-])c1C ZINC000331595776 409676114 /nfs/dbraw/zinc/67/61/14/409676114.db2.gz YHPBUYQJGQHPJK-GFCCVEGCSA-N 1 0 319.361 1.878 20 5 DDBDRO COc1ccc(CNC(=O)[C@H]2CCC[NH2+][C@@H]2C)cc1[N+](=O)[O-] ZINC000342719274 409841679 /nfs/dbraw/zinc/84/16/79/409841679.db2.gz FLDQSTPYWMMZSD-PWSUYJOCSA-N 1 0 307.350 1.608 20 5 DDBDRO O=C(CCN1CC[C@H]2C[NH2+]C[C@@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000357077261 409844258 /nfs/dbraw/zinc/84/42/58/409844258.db2.gz AKNZDINNJOZDCO-QWHCGFSZSA-N 1 0 318.377 1.465 20 5 DDBDRO CN(C(=O)CN1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000357092797 409866066 /nfs/dbraw/zinc/86/60/66/409866066.db2.gz XMSOQAXMJYDXKQ-QWHCGFSZSA-N 1 0 318.377 1.099 20 5 DDBDRO Cc1n[nH]c(C(=O)N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000346244105 409870865 /nfs/dbraw/zinc/87/08/65/409870865.db2.gz UNHIFFSBEGBRHS-JFGNBEQYSA-N 1 0 321.381 1.429 20 5 DDBDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C[C@@H](C)C1 ZINC000346229483 409872387 /nfs/dbraw/zinc/87/23/87/409872387.db2.gz MBNUOODYTMMJMR-HOSYDEDBSA-N 1 0 307.354 1.120 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)NCCC[NH+](C)C ZINC000297916076 410046223 /nfs/dbraw/zinc/04/62/23/410046223.db2.gz QAGZLEYQJSNNME-UHFFFAOYSA-N 1 0 322.365 1.218 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC3(CCC3)[C@H]2C2CC2)c1 ZINC000357457084 410051087 /nfs/dbraw/zinc/05/10/87/410051087.db2.gz VAALKWLSJYAIDC-UONOGXRCSA-N 1 0 306.366 1.417 20 5 DDBDRO C[C@H](CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)[NH+](C)C ZINC000298337035 410185025 /nfs/dbraw/zinc/18/50/25/410185025.db2.gz HBASAKZKQHPPMR-LLVKDONJSA-N 1 0 317.349 1.460 20 5 DDBDRO CC(C)C[C@@H](CNc1ncc([N+](=O)[O-])cc1C(N)=O)[NH+](C)C ZINC000298456667 410238410 /nfs/dbraw/zinc/23/84/10/410238410.db2.gz WEXJKFSGFFHWKQ-JTQLQIEISA-N 1 0 309.370 1.477 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@@H](C)CO ZINC000298535605 410280430 /nfs/dbraw/zinc/28/04/30/410280430.db2.gz MOVLKYWXRQEAOV-JTQLQIEISA-N 1 0 311.338 1.245 20 5 DDBDRO CS(=O)(=O)C[C@@H]1CCCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000298574212 410295471 /nfs/dbraw/zinc/29/54/71/410295471.db2.gz REQZWAOEWOOSNJ-GFCCVEGCSA-N 1 0 312.391 1.851 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000299221370 410572671 /nfs/dbraw/zinc/57/26/71/410572671.db2.gz NGZCCQJLIFHMAS-HIFRSBDPSA-N 1 0 319.361 1.960 20 5 DDBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1c1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000343621191 410576071 /nfs/dbraw/zinc/57/60/71/410576071.db2.gz HGEVEXOJJMCNAL-NWDGAFQWSA-N 1 0 318.377 1.757 20 5 DDBDRO Cc1cnc(NC[C@@H](O)C[NH+]2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000301440198 410721295 /nfs/dbraw/zinc/72/12/95/410721295.db2.gz MBDKFMFSMWARGB-CYBMUJFWSA-N 1 0 308.382 1.803 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000330572851 410788658 /nfs/dbraw/zinc/78/86/58/410788658.db2.gz DTAOXANNMQNKOY-STQMWFEESA-N 1 0 320.393 1.866 20 5 DDBDRO CC[NH+]1CCC(N(C)C(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000330641794 410845670 /nfs/dbraw/zinc/84/56/70/410845670.db2.gz XIEODOKEFTWIJJ-UHFFFAOYSA-N 1 0 309.370 1.124 20 5 DDBDRO C[C@H]1C[N@H+](C)CCN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000330678259 410874174 /nfs/dbraw/zinc/87/41/74/410874174.db2.gz WLJHKOFSPGOMIQ-LBPRGKRZSA-N 1 0 306.366 1.194 20 5 DDBDRO COc1ccc(OCC[N@@H+]2C[C@@H]3CC[C@@H](O)[C@H]3C2)c([N+](=O)[O-])c1 ZINC000344054450 410923762 /nfs/dbraw/zinc/92/37/62/410923762.db2.gz IXZSRJJQWUKLAJ-CORIIIEPSA-N 1 0 322.361 1.685 20 5 DDBDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000341412506 411040798 /nfs/dbraw/zinc/04/07/98/411040798.db2.gz JUBKZESYBCECSE-GHMZBOCLSA-N 1 0 322.365 1.688 20 5 DDBDRO CS[C@H]1CN(c2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000271628936 209075375 /nfs/dbraw/zinc/07/53/75/209075375.db2.gz NINLTHNWWAMWJU-OLZOCXBDSA-N 1 0 324.406 1.176 20 5 DDBDRO CCCNC(=O)C1([NH2+]CCn2ccc([N+](=O)[O-])n2)CCCCC1 ZINC000132290473 196242361 /nfs/dbraw/zinc/24/23/61/196242361.db2.gz LXQYQVDEWFPJPW-UHFFFAOYSA-N 1 0 323.397 1.610 20 5 DDBDRO C[N@@H+]1CC[C@](O)(CNc2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC000613049712 416674327 /nfs/dbraw/zinc/67/43/27/416674327.db2.gz ORKFNVVUYQPFPU-AWEZNQCLSA-N 1 0 303.322 1.017 20 5 DDBDRO CNc1nccc(C(=O)NC[C@H](C)Cn2ccnc2)c1[N+](=O)[O-] ZINC000520836607 416979442 /nfs/dbraw/zinc/97/94/42/416979442.db2.gz UFMKKSRVDGAJPO-JTQLQIEISA-N 1 0 318.337 1.294 20 5 DDBDRO C[C@H](NC(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000417126123 225216883 /nfs/dbraw/zinc/21/68/83/225216883.db2.gz CUILLOBNCOTKEC-IACUBPJLSA-N 1 0 318.377 1.907 20 5 DDBDRO C[C@]1(C[NH3+])CCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000417236837 225259308 /nfs/dbraw/zinc/25/93/08/225259308.db2.gz VGDPFHXTPSJLKW-OAHLLOKOSA-N 1 0 306.366 1.518 20 5 DDBDRO O=C(NC1CC[NH2+]CC1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000418311687 225676980 /nfs/dbraw/zinc/67/69/80/225676980.db2.gz RJBZIUDKGWTEAY-UHFFFAOYSA-N 1 0 304.350 1.415 20 5 DDBDRO Cc1nc(N2CCN(Cc3ccco3)CC2)ncc1[N+](=O)[O-] ZINC000296617659 226052948 /nfs/dbraw/zinc/05/29/48/226052948.db2.gz UODPSLFMDIGWOW-UHFFFAOYSA-N 1 0 303.322 1.608 20 5 DDBDRO COc1cc(CN2C[C@H](C)[N@H+](CCO)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000419344561 226125675 /nfs/dbraw/zinc/12/56/75/226125675.db2.gz SAOSHEOHHYWYNH-STQMWFEESA-N 1 0 323.393 1.490 20 5 DDBDRO COCC[NH+]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000255322500 418566651 /nfs/dbraw/zinc/56/66/51/418566651.db2.gz JGQZWXLEGYIQDS-XQRVVYSFSA-N 1 0 305.378 1.872 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000374627933 418548892 /nfs/dbraw/zinc/54/88/92/418548892.db2.gz YBFBSEXJQXEBDT-AVGNSLFASA-N 1 0 321.381 1.076 20 5 DDBDRO C[C@H](CCNc1nccc(C(N)=O)c1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000290891420 222000038 /nfs/dbraw/zinc/00/00/38/222000038.db2.gz CXIDPEMGIZOOFG-LLVKDONJSA-N 1 0 321.381 1.765 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)Nc2cc(C[NH+](C)C)ccn2)n1 ZINC000191654627 222106179 /nfs/dbraw/zinc/10/61/79/222106179.db2.gz JTBJUASYOSLOPV-UHFFFAOYSA-N 1 0 318.337 1.520 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C[NH+](CC)CC)C2)n1 ZINC000191830014 222110461 /nfs/dbraw/zinc/11/04/61/222110461.db2.gz DCGKLFVJWXCTFO-LBPRGKRZSA-N 1 0 323.397 1.615 20 5 DDBDRO C[NH+](C)CCn1ccc(NC(=O)c2ccc([N+](=O)[O-])s2)n1 ZINC000338646861 418620258 /nfs/dbraw/zinc/62/02/58/418620258.db2.gz LRQSHUPZTLEOKS-UHFFFAOYSA-N 1 0 309.351 1.667 20 5 DDBDRO C[N@@H+]1CC[C@](O)(CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000358056822 418652457 /nfs/dbraw/zinc/65/24/57/418652457.db2.gz BQPBHOINOVFAMS-ZDUSSCGKSA-N 1 0 313.741 1.045 20 5 DDBDRO COc1cc(C[N@@H+]2C[C@H](C)[C@@H](CO)C2)c([N+](=O)[O-])cc1OC ZINC000361662030 418697441 /nfs/dbraw/zinc/69/74/41/418697441.db2.gz PFSWXKMPMJJOFV-CMPLNLGQSA-N 1 0 310.350 1.672 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)n1 ZINC000408025353 418782421 /nfs/dbraw/zinc/78/24/21/418782421.db2.gz BCEFJGYNIBODNU-STQMWFEESA-N 1 0 306.366 1.516 20 5 DDBDRO O=C(C[N@@H+]1CC[C@@H]([C@@H]2CCOC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000371232282 418770559 /nfs/dbraw/zinc/77/05/59/418770559.db2.gz ROBIQQXDXUMAES-CHWSQXEVSA-N 1 0 319.361 1.892 20 5 DDBDRO Cc1c(CC(=O)NCC[C@H]2CCC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000422810207 227192351 /nfs/dbraw/zinc/19/23/51/227192351.db2.gz MZAUIQUGUOWKBT-CYBMUJFWSA-N 1 0 305.378 1.952 20 5 DDBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@H](C2CC2)[C@@H]2CNCCO2)c1 ZINC000423009071 227311411 /nfs/dbraw/zinc/31/14/11/227311411.db2.gz BXYCWOZUNPSYJI-JKSUJKDBSA-N 1 0 305.378 1.494 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H](C(C)C)[C@@H](C)[NH3+] ZINC000423063248 227332317 /nfs/dbraw/zinc/33/23/17/227332317.db2.gz OJKWTPKLMQMNTQ-YGRLFVJLSA-N 1 0 309.366 1.839 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000364762704 418809417 /nfs/dbraw/zinc/80/94/17/418809417.db2.gz RXIOGFKFZNGYIS-ZDUSSCGKSA-N 1 0 301.350 1.788 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@H]2CCCC[C@H]2[C@H]2CCOC2)c1 ZINC000365069348 418835465 /nfs/dbraw/zinc/83/54/65/418835465.db2.gz KLUUFJQYPBCYJZ-AEGPPILISA-N 1 0 308.382 1.976 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000423748792 227657144 /nfs/dbraw/zinc/65/71/44/227657144.db2.gz RXRWGRJSVVFLIM-GFCCVEGCSA-N 1 0 307.350 1.320 20 5 DDBDRO C[C@H]1C[C@@H](CO)C[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000420936981 419367927 /nfs/dbraw/zinc/36/79/27/419367927.db2.gz JFWLARRQKOJEGQ-QWHCGFSZSA-N 1 0 321.377 1.508 20 5 DDBDRO CCC[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420996384 419433271 /nfs/dbraw/zinc/43/32/71/419433271.db2.gz ASIHCLMGNBBSEO-UHFFFAOYSA-N 1 0 301.368 1.215 20 5 DDBDRO CN(Cc1cc([N+](=O)[O-])cc2c1OCOC2)C[C@@H]1CCC[N@@H+]1C ZINC000421003171 419440433 /nfs/dbraw/zinc/44/04/33/419440433.db2.gz MWACXAADCICEON-AWEZNQCLSA-N 1 0 321.377 1.987 20 5 DDBDRO CC(C)(CN1CCOCC1)[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000412001876 419556729 /nfs/dbraw/zinc/55/67/29/419556729.db2.gz IZNVALWZPQWASJ-UHFFFAOYSA-N 1 0 311.357 1.934 20 5 DDBDRO C[C@H](NC(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000418233995 419634204 /nfs/dbraw/zinc/63/42/04/419634204.db2.gz PIRGKPIDIAZLHY-UBHSHLNASA-N 1 0 318.377 1.907 20 5 DDBDRO C[NH2+]C[C@@H]1CCN(C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000418238205 419638897 /nfs/dbraw/zinc/63/88/97/419638897.db2.gz XECJROJWVAYWDG-RYUDHWBXSA-N 1 0 306.366 1.907 20 5 DDBDRO Cc1nnc([C@H]2CC[N@H+](CCOc3ccccc3[N+](=O)[O-])C2)[nH]1 ZINC000412033742 419576916 /nfs/dbraw/zinc/57/69/16/419576916.db2.gz SFUVQOMIDIIIJJ-LBPRGKRZSA-N 1 0 317.349 1.890 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000428031845 228693629 /nfs/dbraw/zinc/69/36/29/228693629.db2.gz IECGWHTZDLMULN-WFASDCNBSA-N 1 0 318.377 1.526 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)n1 ZINC000427594977 419691799 /nfs/dbraw/zinc/69/17/99/419691799.db2.gz BSFTXJJTWJRXHB-NSHDSACASA-N 1 0 307.354 1.120 20 5 DDBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000418312872 419699523 /nfs/dbraw/zinc/69/95/23/419699523.db2.gz HUXWKYKOFFDQJF-CQSZACIVSA-N 1 0 320.393 1.778 20 5 DDBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000418375623 419752893 /nfs/dbraw/zinc/75/28/93/419752893.db2.gz DZTMLBMTBCQJNI-CYBMUJFWSA-N 1 0 306.366 1.531 20 5 DDBDRO O=C(N[C@@H]1CCC[NH2+]C1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000418386077 419762266 /nfs/dbraw/zinc/76/22/66/419762266.db2.gz RCUJTGFJGWBIPL-LLVKDONJSA-N 1 0 320.349 1.119 20 5 DDBDRO C[C@@H](CCCC[NH3+])NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000427960817 419774471 /nfs/dbraw/zinc/77/44/71/419774471.db2.gz VXBNITJGMJAVTD-NSHDSACASA-N 1 0 315.395 1.532 20 5 DDBDRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000418588948 419889284 /nfs/dbraw/zinc/88/92/84/419889284.db2.gz IIHJHNIZPDYVKW-GXTWGEPZSA-N 1 0 320.393 1.777 20 5 DDBDRO O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000299399633 229098694 /nfs/dbraw/zinc/09/86/94/229098694.db2.gz KEORYNAYEXGBGY-GFCCVEGCSA-N 1 0 314.345 1.996 20 5 DDBDRO CC[C@@H]([NH3+])CNC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000418707879 419943482 /nfs/dbraw/zinc/94/34/82/419943482.db2.gz GQQJJXQNMZCRKO-GFCCVEGCSA-N 1 0 321.381 1.164 20 5 DDBDRO COc1ccc(NC(=O)CN2CC[NH2+][C@@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000436056947 229445577 /nfs/dbraw/zinc/44/55/77/229445577.db2.gz FGVOEJUZESZFTQ-WDEREUQCSA-N 1 0 322.365 1.224 20 5 DDBDRO C[N@H+](CCCNC(=O)C1CCC1)CCn1cc([N+](=O)[O-])cn1 ZINC000429537235 420023985 /nfs/dbraw/zinc/02/39/85/420023985.db2.gz DYYKJWWDGCGPDI-UHFFFAOYSA-N 1 0 309.370 1.030 20 5 DDBDRO CCCN(C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)[C@@H]1CC[NH2+]C1 ZINC000415390502 420046540 /nfs/dbraw/zinc/04/65/40/420046540.db2.gz KKDTXGVSWITSEU-CYBMUJFWSA-N 1 0 320.349 1.134 20 5 DDBDRO Cc1c(CC(=O)NC[C@](C)(O)CC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000420025036 420097110 /nfs/dbraw/zinc/09/71/10/420097110.db2.gz ZKTHDNNPOYORHO-MRXNPFEDSA-N 1 0 323.393 1.265 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000415543411 420105092 /nfs/dbraw/zinc/10/50/92/420105092.db2.gz XFVOKAQFURWESM-NSHDSACASA-N 1 0 320.349 1.004 20 5 DDBDRO Cc1c(NC(=O)C(=O)NCC[C@H]2CCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000415617396 420125283 /nfs/dbraw/zinc/12/52/83/420125283.db2.gz BMWSGXSDLJKOBT-LLVKDONJSA-N 1 0 320.349 1.100 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000423698004 420130623 /nfs/dbraw/zinc/13/06/23/420130623.db2.gz MAELICUPCLDFCX-GFCCVEGCSA-N 1 0 313.304 1.939 20 5 DDBDRO COc1ccc(NC(=O)CN[C@](C)(C[NH3+])C2CC2)c([N+](=O)[O-])c1 ZINC000430564649 420139241 /nfs/dbraw/zinc/13/92/41/420139241.db2.gz BWXFZQNGUWJGFZ-OAHLLOKOSA-N 1 0 322.365 1.259 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000415664850 420141272 /nfs/dbraw/zinc/14/12/72/420141272.db2.gz UOROGOPAWNFAII-NSHDSACASA-N 1 0 324.337 1.103 20 5 DDBDRO COc1cc(C(=O)N2CC[C@]3(CC[NH2+]C3)C2)cc([N+](=O)[O-])c1C ZINC000423543405 420078605 /nfs/dbraw/zinc/07/86/05/420078605.db2.gz BSZYTUPHNWJCBC-INIZCTEOSA-N 1 0 319.361 1.737 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000423718649 420141614 /nfs/dbraw/zinc/14/16/14/420141614.db2.gz LMXAGPNCFYFCAN-CYBMUJFWSA-N 1 0 320.393 1.153 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(CNC(C)=O)CC1 ZINC000430222045 420092861 /nfs/dbraw/zinc/09/28/61/420092861.db2.gz CRTFYQIUWYXUTM-UHFFFAOYSA-N 1 0 321.377 1.952 20 5 DDBDRO COC(=O)c1cc(C)nc(NC[C@H]2CCC[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000420289429 420185011 /nfs/dbraw/zinc/18/50/11/420185011.db2.gz SUZZBZYDCVZKFG-QWRGUYRKSA-N 1 0 322.365 2.014 20 5 DDBDRO CN(C(=O)CN[C@@](C)(C[NH3+])C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000430592878 420150957 /nfs/dbraw/zinc/15/09/57/420150957.db2.gz NRXHLYSEARVWGH-HNNXBMFYSA-N 1 0 306.366 1.275 20 5 DDBDRO CN(C(=O)CN1CCC(C[NH3+])CC1)c1ccc([N+](=O)[O-])cc1 ZINC000430606439 420155857 /nfs/dbraw/zinc/15/58/57/420155857.db2.gz WQFDTQHJKIMGIX-UHFFFAOYSA-N 1 0 306.366 1.228 20 5 DDBDRO COc1ccc(NC(=O)CN(C)C2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000430655979 420172878 /nfs/dbraw/zinc/17/28/78/420172878.db2.gz SKYNWNMBQKJHIY-UHFFFAOYSA-N 1 0 322.365 1.226 20 5 DDBDRO CN1CC[NH2+]C[C@@H]1CNc1ccc([N+](=O)[O-])cc1OC(F)F ZINC000420281026 420180453 /nfs/dbraw/zinc/18/04/53/420180453.db2.gz VLUFRFAVJSDOKU-SNVBAGLBSA-N 1 0 316.308 1.512 20 5 DDBDRO C[NH2+]CCCN(C)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000420391634 420257695 /nfs/dbraw/zinc/25/76/95/420257695.db2.gz SNPZDNYLVVDICE-CQSZACIVSA-N 1 0 306.366 1.241 20 5 DDBDRO C[C@@H](CCC[NH3+])NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000420433282 420282844 /nfs/dbraw/zinc/28/28/44/420282844.db2.gz CMZBIWRMSKSDNY-QMMMGPOBSA-N 1 0 321.786 1.654 20 5 DDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCCC[C@H]2CCC[NH2+]2)s1 ZINC000420441461 420290790 /nfs/dbraw/zinc/29/07/90/420290790.db2.gz IQYKMGQYHYRBAB-SECBINFHSA-N 1 0 319.408 1.467 20 5 DDBDRO C[C@@H](C[NH3+])N(C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000430945825 420217419 /nfs/dbraw/zinc/21/74/19/420217419.db2.gz TWRLRVJDMQIVCW-QMMMGPOBSA-N 1 0 300.746 1.466 20 5 DDBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000420340454 420220911 /nfs/dbraw/zinc/22/09/11/420220911.db2.gz PHJKYMJDRJYQFN-XHDPSFHLSA-N 1 0 324.356 1.555 20 5 DDBDRO C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)[C@H](C)CN1CCO ZINC000416289733 420307761 /nfs/dbraw/zinc/30/77/61/420307761.db2.gz FVYPLCBYYBZAGA-VXGBXAGGSA-N 1 0 307.350 1.122 20 5 DDBDRO CC[C@H]([NH3+])CNS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000420476283 420308796 /nfs/dbraw/zinc/30/87/96/420308796.db2.gz XWIITMWSQSMGCS-VIFPVBQESA-N 1 0 324.362 1.159 20 5 DDBDRO C[N@@H+]1CCC[C@@H]2CN(c3c(C(N)=O)cccc3[N+](=O)[O-])CC[C@@H]21 ZINC000420606987 420329521 /nfs/dbraw/zinc/32/95/21/420329521.db2.gz ZBXYWDQTLAGUIX-YPMHNXCESA-N 1 0 318.377 1.614 20 5 DDBDRO Cc1cc(S(=O)(=O)N[C@@H]2CCCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000420448802 420295484 /nfs/dbraw/zinc/29/54/84/420295484.db2.gz MFJSCIOSYWLPFW-LLVKDONJSA-N 1 0 313.379 1.324 20 5 DDBDRO C[C@@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)[C@H](C)CO ZINC000450738281 420518807 /nfs/dbraw/zinc/51/88/07/420518807.db2.gz MKWWMXXCGDUSOO-GYSYKLTISA-N 1 0 307.350 1.307 20 5 DDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1CC[NH2+]C1 ZINC000440836893 420611216 /nfs/dbraw/zinc/61/12/16/420611216.db2.gz HNRJESSAXNXYLM-SNVBAGLBSA-N 1 0 313.379 1.045 20 5 DDBDRO C[N@H+](CCCO)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000440957516 420621600 /nfs/dbraw/zinc/62/16/00/420621600.db2.gz MCESTAWBJNVYMY-UHFFFAOYSA-N 1 0 309.322 1.207 20 5 DDBDRO COC(=O)[C@H](O)C1CC[NH+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000441230726 420640835 /nfs/dbraw/zinc/64/08/35/420640835.db2.gz JTXWTDMZVDKGNC-XHDPSFHLSA-N 1 0 322.361 1.902 20 5 DDBDRO COCC[C@@]1([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCOC1 ZINC000447395727 420770469 /nfs/dbraw/zinc/77/04/69/420770469.db2.gz UCWAVNNUBYFMEA-OAHLLOKOSA-N 1 0 320.349 1.756 20 5 DDBDRO CN(C)C(=O)CC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447559609 420781028 /nfs/dbraw/zinc/78/10/28/420781028.db2.gz AEKGIIVRQDOAEW-NWDGAFQWSA-N 1 0 309.370 1.343 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCN1CCOC[C@@H]1C ZINC000449222733 420972809 /nfs/dbraw/zinc/97/28/09/420972809.db2.gz IMDDYRMETCFJIA-KGLIPLIRSA-N 1 0 307.394 1.836 20 5 DDBDRO Cc1c(Cl)cc(S(=O)(=O)N[C@H]2C[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000479769986 420984843 /nfs/dbraw/zinc/98/48/43/420984843.db2.gz LLXSAJNWXJKPLU-ZKCHVHJHSA-N 1 0 319.770 1.325 20 5 DDBDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000493751131 420932677 /nfs/dbraw/zinc/93/26/77/420932677.db2.gz IRJPGJSTLMPMPI-YYMQPOIQSA-N 1 0 307.325 1.943 20 5 DDBDRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000487514944 421032416 /nfs/dbraw/zinc/03/24/16/421032416.db2.gz KHQTVVDCKUSRLE-AAEUAGOBSA-N 1 0 321.381 1.153 20 5 DDBDRO CN(CC(=O)NC[C@@H]1CCC[C@H]([NH3+])C1)c1ccccc1[N+](=O)[O-] ZINC000449642599 421042428 /nfs/dbraw/zinc/04/24/28/421042428.db2.gz GPCWBJYZEMYYDP-OLZOCXBDSA-N 1 0 320.393 1.665 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000449641216 421042495 /nfs/dbraw/zinc/04/24/95/421042495.db2.gz UQERCEZBMPLSCI-QWRGUYRKSA-N 1 0 307.350 1.851 20 5 DDBDRO CNc1nc(C(=O)NCC[N@H+]2CC=C(C)CC2)ccc1[N+](=O)[O-] ZINC000456073303 421095637 /nfs/dbraw/zinc/09/56/37/421095637.db2.gz VUVONBUVZBPZPU-UHFFFAOYSA-N 1 0 319.365 1.413 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@@H](CO)[C@H]1C ZINC000488767292 421115175 /nfs/dbraw/zinc/11/51/75/421115175.db2.gz VTVTVGZCRIXWSI-MNOVXSKESA-N 1 0 323.349 1.245 20 5 DDBDRO CC[C@@H]1C[N@H+](C)CCN1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000560615620 421285254 /nfs/dbraw/zinc/28/52/54/421285254.db2.gz NXVNJBUIVGWGDY-CQSZACIVSA-N 1 0 321.377 1.987 20 5 DDBDRO COc1ccc(C(=O)NCC[N@@H+]2CC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000525293087 421286951 /nfs/dbraw/zinc/28/69/51/421286951.db2.gz WHMPMZQFESVUTB-LLVKDONJSA-N 1 0 307.350 1.675 20 5 DDBDRO CNc1ccc(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)cc1[N+](=O)[O-] ZINC000562668017 421396438 /nfs/dbraw/zinc/39/64/38/421396438.db2.gz WHUWYNOPXLLFLK-JTQLQIEISA-N 1 0 320.271 1.646 20 5 DDBDRO CCOC(=O)N1CC[C@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000497225042 421391193 /nfs/dbraw/zinc/39/11/93/421391193.db2.gz FVKLVZPPHZBYSY-JSGCOSHPSA-N 1 0 323.349 1.449 20 5 DDBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@H](O)COCC1CC1 ZINC000563416477 421506488 /nfs/dbraw/zinc/50/64/88/421506488.db2.gz FZRTYOOBPYNCCC-SWLSCSKDSA-N 1 0 306.362 1.959 20 5 DDBDRO CCC[C@H](C)[C@@H](CO)[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000516574133 421554101 /nfs/dbraw/zinc/55/41/01/421554101.db2.gz KYURRRGZMIQAIW-WCQYABFASA-N 1 0 309.366 1.920 20 5 DDBDRO CO[C@@](C)(C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000564445233 421586484 /nfs/dbraw/zinc/58/64/84/421586484.db2.gz AERXPTJTDXPLJO-ZBFHGGJFSA-N 1 0 324.377 1.739 20 5 DDBDRO COc1ccc(NC(=O)N2CCC[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000516259457 421537288 /nfs/dbraw/zinc/53/72/88/421537288.db2.gz SWXATRAKZWCLQE-JTQLQIEISA-N 1 0 308.338 1.806 20 5 DDBDRO C[C@H](C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1 ZINC000571364396 421708285 /nfs/dbraw/zinc/70/82/85/421708285.db2.gz SFSMNPGSDHTENI-ABAIWWIYSA-N 1 0 322.340 1.685 20 5 DDBDRO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000539920954 421756223 /nfs/dbraw/zinc/75/62/23/421756223.db2.gz RVXYEUCLWRDESM-ZDUSSCGKSA-N 1 0 309.366 1.417 20 5 DDBDRO Cc1nn(C)c(C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000521141644 421773729 /nfs/dbraw/zinc/77/37/29/421773729.db2.gz TXZVLKBTJSTIGR-UHFFFAOYSA-N 1 0 323.397 1.583 20 5 DDBDRO CC[NH+]1C[C@@H](C)N(C(=O)CNc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000581894550 422063045 /nfs/dbraw/zinc/06/30/45/422063045.db2.gz WRTQKEZMAAOIMR-CHWSQXEVSA-N 1 0 320.393 1.948 20 5 DDBDRO CC(C)c1ccc(C(=O)N2CCN(C)C[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000583563634 422184704 /nfs/dbraw/zinc/18/47/04/422184704.db2.gz MVNVORXABBEIDM-ZDUSSCGKSA-N 1 0 320.393 1.433 20 5 DDBDRO CC[NH2+]CCCNS(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000582240990 422136998 /nfs/dbraw/zinc/13/69/98/422136998.db2.gz WDVOMSNYWAFNED-UHFFFAOYSA-N 1 0 301.368 1.181 20 5 DDBDRO O=c1[nH]c(N[C@@H]2CC[N@@H+](C3CC3)C2)nc2ccc([N+](=O)[O-])cc21 ZINC000596092996 422365431 /nfs/dbraw/zinc/36/54/31/422365431.db2.gz YXRZSGMNQMAJQN-SECBINFHSA-N 1 0 315.333 1.892 20 5 DDBDRO C[NH+](C)[C@H](CNc1ccc(N)c([N+](=O)[O-])n1)c1cccs1 ZINC000590568667 422319759 /nfs/dbraw/zinc/31/97/59/422319759.db2.gz KGWAGBJMZJVXHY-SNVBAGLBSA-N 1 0 307.379 2.348 20 5 DDBDRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)c2ccnc(N)c2[N+](=O)[O-])C1 ZINC000597922619 422391599 /nfs/dbraw/zinc/39/15/99/422391599.db2.gz JKTMMTUJDMYVLH-SECBINFHSA-N 1 0 307.354 1.175 20 5 DDBDRO [NH3+]C[C@H]1CCC[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000237806155 263587064 /nfs/dbraw/zinc/58/70/64/263587064.db2.gz YKTTVWBMYLKSMI-SFYZADRCSA-N 1 0 305.381 1.062 20 5 DDBDRO CNc1ccc(C(=O)N2CCC[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000316314259 271015812 /nfs/dbraw/zinc/01/58/12/271015812.db2.gz KTQQFMPPLUUZLM-GFCCVEGCSA-N 1 0 306.366 1.803 20 5 DDBDRO [NH3+]CC1CCC(CNC(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000343614039 271816193 /nfs/dbraw/zinc/81/61/93/271816193.db2.gz YXPAKQIQMYQJSL-UHFFFAOYSA-N 1 0 320.393 1.888 20 5 DDBDRO CC[N@H+]1C[C@@H](C)N(C(=O)COc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000344431267 272025217 /nfs/dbraw/zinc/02/52/17/272025217.db2.gz SLUFEBUMJSRHHC-BETUJISGSA-N 1 0 321.377 1.915 20 5 DDBDRO CC(C)[C@](C)([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])C(N)=O ZINC000289423867 273558889 /nfs/dbraw/zinc/55/88/89/273558889.db2.gz UYKGWZXTLTUEFT-AWEZNQCLSA-N 1 0 308.338 1.023 20 5 DDBDRO CC[NH+]1CCN([C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])o3)C2)CC1 ZINC000106806595 273664807 /nfs/dbraw/zinc/66/48/07/273664807.db2.gz XPYPFCBDXZGZGA-LBPRGKRZSA-N 1 0 322.365 1.040 20 5 DDBDRO CC1(C)CCC[NH2+][C@@H]1C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000423832409 275815048 /nfs/dbraw/zinc/81/50/48/275815048.db2.gz XYZNYQWQGOBXCU-CQSZACIVSA-N 1 0 318.377 1.653 20 5 DDBDRO C[C@@H]1C[C@H](C)N(C(=O)c2cccc([N+](=O)[O-])c2N)C[C@@H]1C[NH3+] ZINC000424083189 278954853 /nfs/dbraw/zinc/95/48/53/278954853.db2.gz YAAKJKCDBQHFPV-VWYCJHECSA-N 1 0 306.366 1.622 20 5 DDBDRO C[C@H](NC(=O)NC[C@@](C)(O)C[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000297814672 279438948 /nfs/dbraw/zinc/43/89/48/279438948.db2.gz YXEJHAFIPDPYGS-XHDPSFHLSA-N 1 0 324.381 1.268 20 5 DDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC[NH2+]2)cc1OC ZINC000178737531 279948393 /nfs/dbraw/zinc/94/83/93/279948393.db2.gz XIRKNGJKFZNEQY-JTQLQIEISA-N 1 0 323.349 1.484 20 5 DDBDRO CCS(=O)(=O)NCCC[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000266847978 280021684 /nfs/dbraw/zinc/02/16/84/280021684.db2.gz IFOHXGZLQKRRND-LLVKDONJSA-N 1 0 315.395 1.575 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCC[C@H]([NH3+])C2)c1 ZINC000420401943 280654815 /nfs/dbraw/zinc/65/48/15/280654815.db2.gz HFQGRLDZIOGXPY-NSHDSACASA-N 1 0 313.379 1.323 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCC(C)(C)[NH3+])cc1C ZINC000133260664 280655507 /nfs/dbraw/zinc/65/55/07/280655507.db2.gz SMVNXDOKGCCCSG-UHFFFAOYSA-N 1 0 301.368 1.227 20 5 DDBDRO C[NH+](C)CCSCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000120214573 281114913 /nfs/dbraw/zinc/11/49/13/281114913.db2.gz IEVUYFAOJBIRMZ-UHFFFAOYSA-N 1 0 309.391 1.779 20 5 DDBDRO C[NH+](C)[C@@H](CNC(=O)Cn1ccc([N+](=O)[O-])n1)c1cccs1 ZINC000126770268 281252337 /nfs/dbraw/zinc/25/23/37/281252337.db2.gz XMSKXYJPCPNMBF-JTQLQIEISA-N 1 0 323.378 1.272 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000423971882 293608094 /nfs/dbraw/zinc/60/80/94/293608094.db2.gz KVNBGHSMQGIEEW-WFASDCNBSA-N 1 0 318.377 1.902 20 5 DDBDRO COC(=O)CN1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000363562809 307031394 /nfs/dbraw/zinc/03/13/94/307031394.db2.gz ODCGSVXSEOLBKN-UHFFFAOYSA-N 1 0 307.350 1.276 20 5 DDBDRO [NH3+]C[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000089107837 295251237 /nfs/dbraw/zinc/25/12/37/295251237.db2.gz BARMNQQPICTCSS-WDEREUQCSA-N 1 0 313.379 1.391 20 5 DDBDRO COc1ccc(C[NH2+][C@H](C)C[C@@H]2COCCN2)cc1[N+](=O)[O-] ZINC000422951210 533694474 /nfs/dbraw/zinc/69/44/74/533694474.db2.gz ZWAARSCEDWYBJX-DGCLKSJQSA-N 1 0 309.366 1.460 20 5 DDBDRO C[C@@H]1CCC[C@@](CNC(=O)c2c([N+](=O)[O-])cnn2C)([NH+](C)C)C1 ZINC000163429453 298209376 /nfs/dbraw/zinc/20/93/76/298209376.db2.gz IWSDFTUPDWCTKZ-IAQYHMDHSA-N 1 0 323.397 1.569 20 5 DDBDRO CC[NH+](CC)C[C@H](C)NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000353959753 298324567 /nfs/dbraw/zinc/32/45/67/298324567.db2.gz HBNKTTCAYKAVCC-LBPRGKRZSA-N 1 0 308.382 1.853 20 5 DDBDRO CCO[C@H]1COCC[C@@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000362022921 299986808 /nfs/dbraw/zinc/98/68/08/299986808.db2.gz HPIDIZZXBXKCLT-GJZGRUSLSA-N 1 0 310.350 1.757 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@H](C)[C@H](CO)C1 ZINC000362077781 300001339 /nfs/dbraw/zinc/00/13/39/300001339.db2.gz ONVIWAJOJUSOJD-STQMWFEESA-N 1 0 321.377 1.792 20 5 DDBDRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000275105568 300003541 /nfs/dbraw/zinc/00/35/41/300003541.db2.gz DMPKXNJNYFDNAL-GXSJLCMTSA-N 1 0 321.333 1.094 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@@H]2c2nccs2)c1 ZINC000368404317 301020192 /nfs/dbraw/zinc/02/01/92/301020192.db2.gz LIHNCFGZVNSCLG-NWDGAFQWSA-N 1 0 323.378 1.446 20 5 DDBDRO C[C@@H]1[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCC12CCOCC2 ZINC000368810574 301091831 /nfs/dbraw/zinc/09/18/31/301091831.db2.gz OOECYWHQNRSTFQ-GXTWGEPZSA-N 1 0 324.381 1.043 20 5 DDBDRO [NH3+][C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000368820407 301093011 /nfs/dbraw/zinc/09/30/11/301093011.db2.gz DXVUVMANMUHHOO-RTCCRHLQSA-N 1 0 320.305 1.597 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H]2CCCC23CCOCC3)c1 ZINC000370296612 301311835 /nfs/dbraw/zinc/31/18/35/301311835.db2.gz HUDZEXALSWTALM-KBPBESRZSA-N 1 0 324.381 1.091 20 5 DDBDRO [NH3+][C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)COc1ccccc1[N+](=O)[O-] ZINC000372437319 301571683 /nfs/dbraw/zinc/57/16/83/301571683.db2.gz AOAXKRWMYRFDOR-ZSBIGDGJSA-N 1 0 305.334 1.454 20 5 DDBDRO CN(CC(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1)c1ccccc1[N+](=O)[O-] ZINC000373066282 301658062 /nfs/dbraw/zinc/65/80/62/301658062.db2.gz POWMVDQSMOAEID-QWHCGFSZSA-N 1 0 318.377 1.241 20 5 DDBDRO COc1cc(N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)ccc1[N+](=O)[O-] ZINC000375901680 302013035 /nfs/dbraw/zinc/01/30/35/302013035.db2.gz CRIOCWMJSJGTAX-HIFRSBDPSA-N 1 0 321.377 1.639 20 5 DDBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)c1ccc([N+](=O)[O-])o1 ZINC000378227216 302299779 /nfs/dbraw/zinc/29/97/79/302299779.db2.gz WJEJQWDJAWNYHL-NTZNESFSSA-N 1 0 323.349 1.512 20 5 DDBDRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2cc([N+](=O)[O-])nn2C)C1 ZINC000356150760 306839027 /nfs/dbraw/zinc/83/90/27/306839027.db2.gz PGIOBODAWGKLCG-RYUDHWBXSA-N 1 0 323.397 1.426 20 5 DDBDRO Cn1ccnc1[C@H](NCC(C)(C)[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000423287901 303003477 /nfs/dbraw/zinc/00/34/77/303003477.db2.gz PDWPQXBEOSAFCL-CYBMUJFWSA-N 1 0 303.366 1.745 20 5 DDBDRO C[C@H](Nc1nccc(C(N)=O)c1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000357538445 306892528 /nfs/dbraw/zinc/89/25/28/306892528.db2.gz RKFVYWSQUFMCSM-VIFPVBQESA-N 1 0 309.370 1.477 20 5 DDBDRO COC(=O)CC1([NH2+]CCn2cc([N+](=O)[O-])cn2)CCCCC1 ZINC000533390227 303317994 /nfs/dbraw/zinc/31/79/94/303317994.db2.gz CXWUZRBKHAWCJL-UHFFFAOYSA-N 1 0 310.354 1.647 20 5 DDBDRO C[C@@H]1CCC[C@@](CNC(=O)c2c[nH]nc2[N+](=O)[O-])([NH+](C)C)C1 ZINC000558733672 303781612 /nfs/dbraw/zinc/78/16/12/303781612.db2.gz BQDWWKZYEMEBLK-QMTHXVAHSA-N 1 0 309.370 1.558 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CCc1cccnc1 ZINC000562985223 303906165 /nfs/dbraw/zinc/90/61/65/303906165.db2.gz KLDIFFYOTRKNHQ-CQSZACIVSA-N 1 0 317.345 1.562 20 5 DDBDRO C[NH+](C)C[C@@H]1CN(C(=O)[C@H]2CC2[N+](=O)[O-])c2ccccc2O1 ZINC000363880737 307037329 /nfs/dbraw/zinc/03/73/29/307037329.db2.gz XXUYILCFNCAXFZ-MDZLAQPJSA-N 1 0 305.334 1.007 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H]2OCC[C@H]21 ZINC000366471708 307074497 /nfs/dbraw/zinc/07/44/97/307074497.db2.gz ICWKESIPZMEXMG-UMVBOHGHSA-N 1 0 322.361 1.588 20 5 DDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](CC(N)=O)C1 ZINC000367377993 307092366 /nfs/dbraw/zinc/09/23/66/307092366.db2.gz NVERFTSOIPHBAB-GHMZBOCLSA-N 1 0 320.349 1.119 20 5 DDBDRO O=C(COc1ccccc1[N+](=O)[O-])N1CC[C@H]([NH+]2CCCC2)C1 ZINC000371518344 307152345 /nfs/dbraw/zinc/15/23/45/307152345.db2.gz PZSJGTPFBMPSGF-ZDUSSCGKSA-N 1 0 319.361 1.670 20 5 DDBDRO CC[C@@H](C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)[NH+](C)C ZINC000373259334 307182884 /nfs/dbraw/zinc/18/28/84/307182884.db2.gz VIWXNSVHXNYGMG-LBPRGKRZSA-N 1 0 309.370 1.295 20 5 DDBDRO Cc1noc(C2(C)CC[NH+](CCn3cc([N+](=O)[O-])cn3)CC2)n1 ZINC000374738094 307213134 /nfs/dbraw/zinc/21/31/34/307213134.db2.gz OQYJVGVHMBMECK-UHFFFAOYSA-N 1 0 320.353 1.536 20 5 DDBDRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)/C=C\c3cccc([N+](=O)[O-])c3)C[C@@H]12 ZINC000390609772 307293856 /nfs/dbraw/zinc/29/38/56/307293856.db2.gz HZHRQWYMGSSIGD-GKDQIBBTSA-N 1 0 301.346 1.804 20 5 DDBDRO C[C@H](N[C@@H]1CCCC[C@H]1[NH3+])C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000424337407 307301385 /nfs/dbraw/zinc/30/13/85/307301385.db2.gz RNPZVDSIMUTXPR-QJPTWQEYSA-N 1 0 306.366 1.781 20 5 DDBDRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000562977503 307951623 /nfs/dbraw/zinc/95/16/23/307951623.db2.gz ASIICEDXDSLHOR-RFXMVYNHSA-N 1 0 321.333 1.440 20 5 DDBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC(CC[NH3+])CC1 ZINC000565096713 308019930 /nfs/dbraw/zinc/01/99/30/308019930.db2.gz XMVRGPLXWOTPDG-LBPRGKRZSA-N 1 0 320.393 1.983 20 5 DDBDRO CC[C@](C)(C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)OC ZINC000566120421 308043994 /nfs/dbraw/zinc/04/39/94/308043994.db2.gz QFKLTWQQBGUFNH-DZGCQCFKSA-N 1 0 312.366 1.739 20 5 DDBDRO CC(C)(CCO)C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000566233325 308050936 /nfs/dbraw/zinc/05/09/36/308050936.db2.gz AAHHBGICOUKJOE-ZDUSSCGKSA-N 1 0 312.366 1.333 20 5 DDBDRO CSCCC[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000567691480 308090884 /nfs/dbraw/zinc/09/08/84/308090884.db2.gz YFAMEXVHLGDAAA-GFCCVEGCSA-N 1 0 300.380 1.677 20 5 DDBDRO CC(F)(F)CC[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000569715805 308148152 /nfs/dbraw/zinc/14/81/52/308148152.db2.gz RIUBZFPGJLHUAP-LLVKDONJSA-N 1 0 304.293 1.969 20 5 DDBDRO [NH3+]CCC1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000570692538 308177297 /nfs/dbraw/zinc/17/72/97/308177297.db2.gz LJXCWOYZMCRMKV-UHFFFAOYSA-N 1 0 306.366 1.594 20 5 DDBDRO C[C@]1(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000574071960 308260534 /nfs/dbraw/zinc/26/05/34/308260534.db2.gz OKWFWFXNQUYDAI-UKRRQHHQSA-N 1 0 310.350 1.493 20 5 DDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])NCC1CC[NH2+]CC1 ZINC000576211813 308297095 /nfs/dbraw/zinc/29/70/95/308297095.db2.gz AZPAYKYBTNFXAT-UHFFFAOYSA-N 1 0 306.366 1.436 20 5 DDBDRO CCOc1ccccc1C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000579582373 308542320 /nfs/dbraw/zinc/54/23/20/308542320.db2.gz XURBOFMKBRHCDG-AWEZNQCLSA-N 1 0 320.349 1.341 20 5 DDBDRO CSC1(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000582297163 326007070 /nfs/dbraw/zinc/00/70/70/326007070.db2.gz QTVUDCDZKCPZTK-GFCCVEGCSA-N 1 0 312.391 1.820 20 5 DDBDRO Cc1c(CNC(=O)N(C)CCC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000584564464 337363143 /nfs/dbraw/zinc/36/31/43/337363143.db2.gz ODPTXYUTJYVJEX-UHFFFAOYSA-N 1 0 308.382 1.996 20 5 DDBDRO C[C@@]1(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[NH2+]C1 ZINC000230736248 484170284 /nfs/dbraw/zinc/17/02/84/484170284.db2.gz MLXULYRCOYFKHD-LLVKDONJSA-N 1 0 319.770 1.279 20 5 DDBDRO CNc1nccc(C(=O)NC2CC[NH+](C(C)C)CC2)c1[N+](=O)[O-] ZINC000561332490 484325450 /nfs/dbraw/zinc/32/54/50/484325450.db2.gz FUZVXTAYXDLEFK-UHFFFAOYSA-N 1 0 321.381 1.634 20 5 DDBDRO COC(=O)Cc1ccc(NC[C@@H](C)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000295642674 533762321 /nfs/dbraw/zinc/76/23/21/533762321.db2.gz DWNMLVPSQJJSJU-LLVKDONJSA-N 1 0 309.366 1.920 20 5 DDBDRO C[C@@H]1C[C@H](C)N(C(=O)COc2cccc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000424053128 533811849 /nfs/dbraw/zinc/81/18/49/533811849.db2.gz NZKZJOLURHMNLS-FRRDWIJNSA-N 1 0 321.377 1.805 20 5 DDBDRO COC(=O)c1cc(NC(=O)[C@@H](C(C)C)[C@@H](C)[NH3+])cc([N+](=O)[O-])c1 ZINC000422999039 533879207 /nfs/dbraw/zinc/87/92/07/533879207.db2.gz DNCPWVSBFSOHSK-RNCFNFMXSA-N 1 0 323.349 1.939 20 5 DDBDRO Cc1c(NC(=O)CCN2C[C@@H](C)[NH2+]C[C@H]2C)cccc1[N+](=O)[O-] ZINC000420404736 533899122 /nfs/dbraw/zinc/89/91/22/533899122.db2.gz SKEQMWILFOMICU-VXGBXAGGSA-N 1 0 320.393 1.914 20 5 DDBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000417222651 534462104 /nfs/dbraw/zinc/46/21/04/534462104.db2.gz FPCPGLYWSIUBSN-UKRRQHHQSA-N 1 0 318.377 1.531 20 5 DDBDRO CN(C(=O)Cc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCC[N@H+](C)C1 ZINC000156543346 523851067 /nfs/dbraw/zinc/85/10/67/523851067.db2.gz WOPCRDPINVSIQE-CYBMUJFWSA-N 1 0 309.341 1.829 20 5 DDBDRO CC(C)OC[C@@H](CO)[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000433246383 528009149 /nfs/dbraw/zinc/00/91/49/528009149.db2.gz LNVPGDBPMAMSOU-CQSZACIVSA-N 1 0 312.366 1.691 20 5 DDBDRO Cc1cc(C(=O)NC[C@@H](C)C[NH+]2CCCC2)c(N)c([N+](=O)[O-])c1 ZINC000104855348 696621052 /nfs/dbraw/zinc/62/10/52/696621052.db2.gz QZPUUOFYRLNNEJ-GFCCVEGCSA-N 1 0 320.393 1.947 20 5 DDBDRO C[C@@H](C(=O)OCCn1cc([N+](=O)[O-])cn1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000748128316 700101004 /nfs/dbraw/zinc/10/10/04/700101004.db2.gz DDXBBURXMYFOCY-TUAOUCFPSA-N 1 0 310.354 1.596 20 5 DDBDRO C[NH+](C)CCn1ccc(NC(=O)c2cc(F)ccc2[N+](=O)[O-])n1 ZINC000119979817 696688503 /nfs/dbraw/zinc/68/85/03/696688503.db2.gz OTXSWFGLTGNKSB-UHFFFAOYSA-N 1 0 321.312 1.744 20 5 DDBDRO Cc1nc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cs1 ZINC000983658664 697287157 /nfs/dbraw/zinc/28/71/57/697287157.db2.gz ZJMDZTPELWYVQU-FPQZTECRSA-N 1 0 324.406 1.101 20 5 DDBDRO CN(C)[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N)c1ccco1 ZINC000195128616 697731451 /nfs/dbraw/zinc/73/14/51/697731451.db2.gz CMTGECZGOXEBTD-CYBMUJFWSA-N 1 0 318.333 1.803 20 5 DDBDRO CC[N@H+](CCC(=O)OC)Cn1nc(C)c2cc([N+](=O)[O-])cnc21 ZINC000749954423 700194365 /nfs/dbraw/zinc/19/43/65/700194365.db2.gz LCQMZBCAWGJEDG-UHFFFAOYSA-N 1 0 321.337 1.490 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCS[C@@H]3COCC[C@H]32)cc1 ZINC000776587135 698122609 /nfs/dbraw/zinc/12/26/09/698122609.db2.gz ULYPECVAELXWFB-RBSFLKMASA-N 1 0 324.402 1.835 20 5 DDBDRO C[C@@]1(C[NH3+])CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000261686901 698433292 /nfs/dbraw/zinc/43/32/92/698433292.db2.gz MWNWSOBMRZDANI-LBPRGKRZSA-N 1 0 317.342 1.093 20 5 DDBDRO Cc1n[nH]c(C(=O)NC[C@@H]2[NH2+]CCc3ccccc32)c1[N+](=O)[O-] ZINC000262426924 698469124 /nfs/dbraw/zinc/46/91/24/698469124.db2.gz SJSYMTWMOYWBQP-LBPRGKRZSA-N 1 0 315.333 1.243 20 5 DDBDRO C[C@@H]1C[C@H](O)C[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000782525612 698734231 /nfs/dbraw/zinc/73/42/31/698734231.db2.gz ZHZBTKDULMWVKI-KOLCDFICSA-N 1 0 311.313 1.518 20 5 DDBDRO CCOCOc1ccc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000782966442 698790794 /nfs/dbraw/zinc/79/07/94/698790794.db2.gz YTSKVNFTNHABQG-UHFFFAOYSA-N 1 0 320.349 1.954 20 5 DDBDRO C[NH2+]CCOCCN(C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000706674719 699243950 /nfs/dbraw/zinc/24/39/50/699243950.db2.gz MQBNVLWXJGGJMU-UHFFFAOYSA-N 1 0 301.774 1.916 20 5 DDBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2cc(C)cc([N+](=O)[O-])c2N)C1 ZINC000729528432 699481540 /nfs/dbraw/zinc/48/15/40/699481540.db2.gz AUIBIBMLFQTZKY-LBPRGKRZSA-N 1 0 320.393 1.947 20 5 DDBDRO C[C@H]1CCC[N@@H+]1CCNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000742238920 699868736 /nfs/dbraw/zinc/86/87/36/699868736.db2.gz IQOPKKSCNFFZNH-LBPRGKRZSA-N 1 0 307.350 1.574 20 5 DDBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[N@H+](C)[C@@H](C)C1 ZINC000761067601 700838114 /nfs/dbraw/zinc/83/81/14/700838114.db2.gz FYWYKDJWQKISFF-RYUDHWBXSA-N 1 0 306.366 1.558 20 5 DDBDRO C[C@H]1CN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC[N@@H+]1C ZINC000761081935 700841900 /nfs/dbraw/zinc/84/19/00/700841900.db2.gz OWNYBOAZBLSBQQ-NSHDSACASA-N 1 0 307.350 1.597 20 5 DDBDRO C/C(=C/C(=O)NC[C@]1(O)CC[N@@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000762721492 700904699 /nfs/dbraw/zinc/90/46/99/700904699.db2.gz NKJAXMPIXPXARU-HMWXGYMHSA-N 1 0 319.361 1.181 20 5 DDBDRO O=CN1CCC([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000808727497 701533068 /nfs/dbraw/zinc/53/30/68/701533068.db2.gz GGHVRRFVJSCJRS-UHFFFAOYSA-N 1 0 316.361 1.829 20 5 DDBDRO Cc1c(CC(=O)N[C@H](C)C2CC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000868008036 701889229 /nfs/dbraw/zinc/88/92/29/701889229.db2.gz ZNKPXQJWTDGGPX-GFCCVEGCSA-N 1 0 305.378 1.950 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@@H]2[C@H](O)c2ccccc2)n1 ZINC000879244223 706627609 /nfs/dbraw/zinc/62/76/09/706627609.db2.gz PHSWNPLSDZTMLH-GDBMZVCRSA-N 1 0 316.361 1.989 20 5 DDBDRO C[N@@H+]1C[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)[C@H]2C1 ZINC000816954721 702238676 /nfs/dbraw/zinc/23/86/76/702238676.db2.gz JJNZEHZHEDHZFL-RNCFNFMXSA-N 1 0 320.305 1.279 20 5 DDBDRO CC(C)(C[NH3+])NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000841167084 702373305 /nfs/dbraw/zinc/37/33/05/702373305.db2.gz GUOWOGVWYYYYBY-UHFFFAOYSA-N 1 0 314.729 1.040 20 5 DDBDRO C[C@@H](CC[NH3+])NC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000841204670 702387469 /nfs/dbraw/zinc/38/74/69/702387469.db2.gz WOPQNAAJURXLPE-ZETCQYMHSA-N 1 0 314.729 1.040 20 5 DDBDRO CC(C)c1[nH]nc(-c2nc([C@@H]3CCC[NH2+]C3)no2)c1[N+](=O)[O-] ZINC000842670584 702754109 /nfs/dbraw/zinc/75/41/09/702754109.db2.gz PLHQRMDFGBCILJ-MRVPVSSYSA-N 1 0 306.326 1.958 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@@]2(CCO)CCOC2)cc1 ZINC000843102299 702819411 /nfs/dbraw/zinc/81/94/11/702819411.db2.gz VUOZYJMYGYITCA-LSDHHAIUSA-N 1 0 310.350 1.007 20 5 DDBDRO [NH3+]CCc1noc(-c2ccc(N3CCCC3)c([N+](=O)[O-])c2)n1 ZINC000843127540 702825608 /nfs/dbraw/zinc/82/56/08/702825608.db2.gz CXYMTIWQDWCMON-UHFFFAOYSA-N 1 0 303.322 1.746 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)cc1[N+](=O)[O-] ZINC000843344056 702863177 /nfs/dbraw/zinc/86/31/77/702863177.db2.gz OJWZSIVQKFTLIW-DTORHVGOSA-N 1 0 322.321 1.634 20 5 DDBDRO C[C@@H]1C[NH2+]CCN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000843347336 702863617 /nfs/dbraw/zinc/86/36/17/702863617.db2.gz RHEZVMLFMVEQDF-SNVBAGLBSA-N 1 0 310.329 1.356 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1OS(=O)(=O)CCC[NH+](C)C ZINC000866518432 706718792 /nfs/dbraw/zinc/71/87/92/706718792.db2.gz ZTFRCTDXJJXVHU-UHFFFAOYSA-N 1 0 302.352 1.564 20 5 DDBDRO C[C@H]([NH2+]C[C@]12COC(=O)N1CCOC2)c1cccc([N+](=O)[O-])c1 ZINC000866519951 706719777 /nfs/dbraw/zinc/71/97/77/706719777.db2.gz YPZLHTPHLPASKD-NHYWBVRUSA-N 1 0 321.333 1.467 20 5 DDBDRO COc1ccc(CC(=O)NOC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000846647409 703307283 /nfs/dbraw/zinc/30/72/83/703307283.db2.gz KRILUZZUKJPTTG-UHFFFAOYSA-N 1 0 323.349 1.288 20 5 DDBDRO Cc1cc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)c(N)c([N+](=O)[O-])c1 ZINC000846687783 703317616 /nfs/dbraw/zinc/31/76/16/703317616.db2.gz FMSATRJVFFIQMT-ZBEGNZNMSA-N 1 0 318.377 1.686 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)OC[C@H](C)[NH+]2CCCCC2)n1 ZINC000847961723 703487826 /nfs/dbraw/zinc/48/78/26/703487826.db2.gz CJTKUUJOTVUIFO-NSHDSACASA-N 1 0 310.354 1.842 20 5 DDBDRO COc1ccc(CNC(=[NH2+])NC[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000848996248 703608443 /nfs/dbraw/zinc/60/84/43/703608443.db2.gz NABIORNMJSFPHD-NSHDSACASA-N 1 0 308.338 1.396 20 5 DDBDRO [NH2+]=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCOCC1 ZINC000849029277 703612747 /nfs/dbraw/zinc/61/27/47/703612747.db2.gz NMUSSEBBQQFYRD-UHFFFAOYSA-N 1 0 317.349 1.475 20 5 DDBDRO O=C(CN1C[C@H]2CC[C@@H](C1)[NH2+]2)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000866681109 706762577 /nfs/dbraw/zinc/76/25/77/706762577.db2.gz UKXVMYLASNTPLF-PHIMTYICSA-N 1 0 324.768 1.623 20 5 DDBDRO O=C(CCN1C[C@H]2CC[C@@H](C1)[NH2+]2)Nc1cc([N+](=O)[O-])ccc1F ZINC000866679717 706762646 /nfs/dbraw/zinc/76/26/46/706762646.db2.gz VWVSTDHXCLBDKA-PHIMTYICSA-N 1 0 322.340 1.499 20 5 DDBDRO C[C@@H]1CN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C[C@@H](C)[NH2+]1 ZINC000818554020 703924111 /nfs/dbraw/zinc/92/41/11/703924111.db2.gz GDHPRIRNSUTTQO-GHMZBOCLSA-N 1 0 317.349 1.153 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000866720828 706775436 /nfs/dbraw/zinc/77/54/36/706775436.db2.gz OOJGJMIKEIVYSX-DZGCQCFKSA-N 1 0 318.377 1.668 20 5 DDBDRO C[C@@H](COc1ccccc1)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000818965055 704036694 /nfs/dbraw/zinc/03/66/94/704036694.db2.gz CRXNBESYFHEOHR-GXTWGEPZSA-N 1 0 320.349 1.209 20 5 DDBDRO O=C1OCCN1[C@@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000852434046 704047659 /nfs/dbraw/zinc/04/76/59/704047659.db2.gz WGMHUDIGWSHXEX-CYBMUJFWSA-N 1 0 321.333 1.500 20 5 DDBDRO COCCN1CCC[C@H]1C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819017835 704052235 /nfs/dbraw/zinc/05/22/35/704052235.db2.gz LSKATSWSZJLPQA-HOTGVXAUSA-N 1 0 323.393 1.329 20 5 DDBDRO C[C@H](CO[C@@H]1CCOC1)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819148012 704076310 /nfs/dbraw/zinc/07/63/10/704076310.db2.gz OCRRIRUMYGWNQI-KCPJHIHWSA-N 1 0 310.350 1.412 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H]2CCc3nc[nH]c3C2)c1 ZINC000819323312 704107248 /nfs/dbraw/zinc/10/72/48/704107248.db2.gz ZIBAMQBWSVVNRL-XHDPSFHLSA-N 1 0 302.334 1.498 20 5 DDBDRO O=C1[C@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H]2CCCCN12 ZINC000819360051 704113040 /nfs/dbraw/zinc/11/30/40/704113040.db2.gz YXCBRIVWRFDJBO-RBSFLKMASA-N 1 0 319.361 1.371 20 5 DDBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000870969199 704185508 /nfs/dbraw/zinc/18/55/08/704185508.db2.gz BOFWBEQXBMKHJP-DCAQKATOSA-N 1 0 309.391 1.929 20 5 DDBDRO COC[C@H]1CCN(Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)C1 ZINC000853497814 704250716 /nfs/dbraw/zinc/25/07/16/704250716.db2.gz GQFLASLLXSYOPD-LBPRGKRZSA-N 1 0 317.349 1.779 20 5 DDBDRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000855287657 704477352 /nfs/dbraw/zinc/47/73/52/704477352.db2.gz RHCHINRYFBOAFH-NSHDSACASA-N 1 0 306.366 1.780 20 5 DDBDRO [NH3+]C1CCN(C(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)CC1 ZINC000857763091 704621784 /nfs/dbraw/zinc/62/17/84/704621784.db2.gz OYHZXZAIQYDWDR-UHFFFAOYSA-N 1 0 315.276 1.516 20 5 DDBDRO Cc1cc(C(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)c(N)c([N+](=O)[O-])c1 ZINC000832497977 706926598 /nfs/dbraw/zinc/92/65/98/706926598.db2.gz QSBHHMUPBZTZEM-QWRGUYRKSA-N 1 0 306.366 1.603 20 5 DDBDRO C[C@@H]1CN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C[C@H](C)[NH2+]1 ZINC000858631773 704737432 /nfs/dbraw/zinc/73/74/32/704737432.db2.gz ICMSVZZDYXVCDG-AOOOYVTPSA-N 1 0 304.350 1.666 20 5 DDBDRO O=[N+]([O-])c1cc(F)c(Cl)cc1NCC[N@H+]1CC[C@H](O)C1 ZINC000858867159 704766267 /nfs/dbraw/zinc/76/62/67/704766267.db2.gz CTTMCSJVWDMUES-QMMMGPOBSA-N 1 0 303.721 1.866 20 5 DDBDRO COC[C@@]1(c2nc(Cc3ccccc3[N+](=O)[O-])no2)CC[NH2+]C1 ZINC000822646800 704995679 /nfs/dbraw/zinc/99/56/79/704995679.db2.gz KDPLEMKTCHMHCT-OAHLLOKOSA-N 1 0 318.333 1.446 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(Cc2noc([C@H]3C[NH2+]CCO3)n2)c1 ZINC000823088818 705136252 /nfs/dbraw/zinc/13/62/52/705136252.db2.gz NYFHBKUIPJKCDE-GFCCVEGCSA-N 1 0 320.305 1.238 20 5 DDBDRO C[NH2+]CCc1nc(Cc2cc(OC)cc(OC)c2[N+](=O)[O-])no1 ZINC000823145389 705152158 /nfs/dbraw/zinc/15/21/58/705152158.db2.gz HBXXWLXLXAOBGK-UHFFFAOYSA-N 1 0 322.321 1.348 20 5 DDBDRO Cc1ccc(NCCCNC(=O)N(C)C[C@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000861589587 705512347 /nfs/dbraw/zinc/51/23/47/705512347.db2.gz ITYFFKLVMIHZPM-LBPRGKRZSA-N 1 0 323.397 1.694 20 5 DDBDRO Cc1c(C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000825189027 705620828 /nfs/dbraw/zinc/62/08/28/705620828.db2.gz WGAFXDPQBDPRNC-NXEZZACHSA-N 1 0 322.321 1.669 20 5 DDBDRO [NH3+]C[C@H]1CC[C@H](NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000825196534 705622415 /nfs/dbraw/zinc/62/24/15/705622415.db2.gz IHGUYJBFSVCJCD-UWVGGRQHSA-N 1 0 311.313 1.356 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)/C=C\[C@@H]1CCC[NH2+]C1 ZINC000876611699 705783184 /nfs/dbraw/zinc/78/31/84/705783184.db2.gz OXGDCIUFPHPIBK-KMSCOEIWSA-N 1 0 319.361 1.775 20 5 DDBDRO COCC[N@H+]1[C@H](C)CN(c2ccc(N)cc2[N+](=O)[O-])C[C@@H]1C ZINC000826633091 705830336 /nfs/dbraw/zinc/83/03/36/705830336.db2.gz OEJOBIHIPOQATD-TXEJJXNPSA-N 1 0 308.382 1.722 20 5 DDBDRO C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000876875120 705902215 /nfs/dbraw/zinc/90/22/15/705902215.db2.gz PSUACLSHIAWLFD-ISBNUJHVSA-N 1 0 305.334 1.954 20 5 DDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@@H]3c4ccccc4C[C@@H]3O)C2)c1 ZINC000876967034 705942084 /nfs/dbraw/zinc/94/20/84/705942084.db2.gz BTXQZUJXSMHDFZ-UQZDFYISSA-N 1 0 314.345 1.743 20 5 DDBDRO CC1(C)CN(CC[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CCO1 ZINC000877021089 705961153 /nfs/dbraw/zinc/96/11/53/705961153.db2.gz OQOYODKTELFNGM-UHFFFAOYSA-N 1 0 323.397 1.195 20 5 DDBDRO C[NH2+]CCOCCN(C)C(=O)c1cc(F)cc(C)c1[N+](=O)[O-] ZINC000877028779 705965002 /nfs/dbraw/zinc/96/50/02/705965002.db2.gz DIXFKUBGOLVGEU-UHFFFAOYSA-N 1 0 313.329 1.350 20 5 DDBDRO C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877094605 705981288 /nfs/dbraw/zinc/98/12/88/705981288.db2.gz LBDFFLVIPTUFTA-FJWBTJNKSA-N 1 0 305.382 1.567 20 5 DDBDRO CC[N@@H+]1C[C@H](C)N(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000828095283 706117626 /nfs/dbraw/zinc/11/76/26/706117626.db2.gz LWXFGHNKNAAQTN-XUJVJEKNSA-N 1 0 321.377 1.569 20 5 DDBDRO COC(=O)[C@H]1C[C@@H](O)C[N@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000877608271 706158364 /nfs/dbraw/zinc/15/83/64/706158364.db2.gz ODRSQNPIKDUHAW-QWHCGFSZSA-N 1 0 322.361 1.567 20 5 DDBDRO O=[N+]([O-])c1ccc(NC[C@H]2CCCC[N@H+]2CCO)c([N+](=O)[O-])c1 ZINC000828461507 706184310 /nfs/dbraw/zinc/18/43/10/706184310.db2.gz ZWBPZQIQQXBPRG-GFCCVEGCSA-N 1 0 324.337 1.762 20 5 DDBDRO O=C(Cc1cccc(F)c1[N+](=O)[O-])NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000864963737 706314112 /nfs/dbraw/zinc/31/41/12/706314112.db2.gz YMRGIHMPTXOJCM-LLVKDONJSA-N 1 0 321.352 1.877 20 5 DDBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)C[C@]1(O)CCc2ccccc21 ZINC000829338053 706320890 /nfs/dbraw/zinc/32/08/90/706320890.db2.gz QLFNREHEVAQVMW-MRXNPFEDSA-N 1 0 316.361 1.557 20 5 DDBDRO C[NH+](C)C[C@]1(O)CCCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000878866787 706519545 /nfs/dbraw/zinc/51/95/45/706519545.db2.gz XDYCIBUPOHDUAF-HZPDHXFCSA-N 1 0 323.393 1.017 20 5 DDBDRO C[C@@H]1C[N@H+](CCCNC(=O)CCC(C)(C)[N+](=O)[O-])CCCO1 ZINC000830486479 706524674 /nfs/dbraw/zinc/52/46/74/706524674.db2.gz FNXDMEJCIZZFNN-CYBMUJFWSA-N 1 0 315.414 1.439 20 5 DDBDRO O=C1NCCC12CC[NH+](Cc1c(F)cccc1[N+](=O)[O-])CC2 ZINC000879917187 706818656 /nfs/dbraw/zinc/81/86/56/706818656.db2.gz BTINZMLWUSTTER-UHFFFAOYSA-N 1 0 307.325 1.836 20 5 DDBDRO CN(C(=O)C[N@@H+]1CC[C@@H](C(C)(C)O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000880144504 706891225 /nfs/dbraw/zinc/89/12/25/706891225.db2.gz GLKQVKCTLZBGTF-GFCCVEGCSA-N 1 0 321.377 1.650 20 5 DDBDRO Cc1c(C(=O)NCCC[NH2+]C(C)C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000832606984 706948715 /nfs/dbraw/zinc/94/87/15/706948715.db2.gz RKYSXWZYCLQNBP-UHFFFAOYSA-N 1 0 324.337 1.929 20 5 DDBDRO C[C@H]1CN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CC[C@H]1[NH3+] ZINC000832736747 706972465 /nfs/dbraw/zinc/97/24/65/706972465.db2.gz BDGDIMJOQJDPLC-GXFFZTMASA-N 1 0 317.349 1.140 20 5 DDBDRO CC[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@H](CO)c1ccccc1 ZINC000880461950 706982404 /nfs/dbraw/zinc/98/24/04/706982404.db2.gz NXQWNTOQBIQXIC-CQSZACIVSA-N 1 0 304.350 1.847 20 5 DDBDRO COC(=O)[C@@]1(O)CC[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000880564953 707020048 /nfs/dbraw/zinc/02/00/48/707020048.db2.gz ALSKIPFRDOPQGH-IAQYHMDHSA-N 1 0 308.334 1.574 20 5 DDBDRO O=C(NC[C@H]1C[NH2+]CCCO1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000834857182 707141011 /nfs/dbraw/zinc/14/10/11/707141011.db2.gz DQXFDBXFFKJCPB-SNVBAGLBSA-N 1 0 313.741 1.357 20 5 DDBDRO C[NH+](C)Cc1cccc(C(=O)OCCn2cnc([N+](=O)[O-])n2)c1 ZINC000835207448 707195777 /nfs/dbraw/zinc/19/57/77/707195777.db2.gz KBCMXUCWEBPWDK-UHFFFAOYSA-N 1 0 319.321 1.105 20 5 DDBDRO CS[C@H]1C[C@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000872225034 707336962 /nfs/dbraw/zinc/33/69/62/707336962.db2.gz VQFTYTACVQCYIO-SRVKXCTJSA-N 1 0 312.391 1.818 20 5 DDBDRO CS[C@H]1C[C@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000872225033 707336989 /nfs/dbraw/zinc/33/69/89/707336989.db2.gz VQFTYTACVQCYIO-IJLUTSLNSA-N 1 0 312.391 1.818 20 5 DDBDRO C[C@@H](CNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl)[NH+](C)C ZINC000836357494 707445760 /nfs/dbraw/zinc/44/57/60/707445760.db2.gz KYHHLPWEQMXMDN-VIFPVBQESA-N 1 0 314.773 1.998 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(Cn3ncc4ccc([N+](=O)[O-])cc43)CC[C@@H]21 ZINC000872726656 707573889 /nfs/dbraw/zinc/57/38/89/707573889.db2.gz UEAOAUKBONLFGV-HIFRSBDPSA-N 1 0 315.377 1.928 20 5 DDBDRO Cc1c(C[NH2+]C[C@@]2(OCCO)CCOC2)cccc1[N+](=O)[O-] ZINC000873135363 707744375 /nfs/dbraw/zinc/74/43/75/707744375.db2.gz IAUZSPKDFHLKQT-HNNXBMFYSA-N 1 0 310.350 1.161 20 5 DDBDRO O=C(OCCC[NH+]1CCCC1)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000838284877 707887520 /nfs/dbraw/zinc/88/75/20/707887520.db2.gz MEROWWGURLZJEP-CQSZACIVSA-N 1 0 308.334 1.657 20 5 DDBDRO CC[C@H](CN1CCOCC1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000896619771 708098390 /nfs/dbraw/zinc/09/83/90/708098390.db2.gz VYQQKNZUKSPERM-OAHLLOKOSA-N 1 0 307.394 1.838 20 5 DDBDRO CN(C(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2)[C@H]1CC[NH2+]C1 ZINC000884028667 708108786 /nfs/dbraw/zinc/10/87/86/708108786.db2.gz NTFMRRQOUZXRIU-JTQLQIEISA-N 1 0 321.333 1.190 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)c1 ZINC000897221629 708259149 /nfs/dbraw/zinc/25/91/49/708259149.db2.gz NXPCAXCOMKJUPJ-KGLIPLIRSA-N 1 0 305.378 1.939 20 5 DDBDRO COC(=O)c1cnc(NCC[N@@H+]2CCC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000897247772 708267944 /nfs/dbraw/zinc/26/79/44/708267944.db2.gz DQXCGIOVFMRIFH-UHFFFAOYSA-N 1 0 322.365 1.920 20 5 DDBDRO Cc1cc(NCC[N@H+](C)CCO)c2cccc([N+](=O)[O-])c2n1 ZINC000884825387 708388054 /nfs/dbraw/zinc/38/80/54/708388054.db2.gz UEXIDUKNPZUXGV-UHFFFAOYSA-N 1 0 304.350 1.787 20 5 DDBDRO Cn1cnc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1 ZINC000898043214 708526963 /nfs/dbraw/zinc/52/69/63/708526963.db2.gz IMGXDLNCBCWLEX-UHFFFAOYSA-N 1 0 316.365 1.482 20 5 DDBDRO O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000885857334 708640680 /nfs/dbraw/zinc/64/06/80/708640680.db2.gz AYCWYMOOHKFWBY-ZDUSSCGKSA-N 1 0 319.361 1.578 20 5 DDBDRO CC[NH+](CC)CCO[C@H]1CCN(Cc2cccnc2[N+](=O)[O-])C1 ZINC000886030294 708684911 /nfs/dbraw/zinc/68/49/11/708684911.db2.gz ITTPDVFKTDVKAX-HNNXBMFYSA-N 1 0 322.409 1.923 20 5 DDBDRO CCO[C@H]1C[C@@](CO)([NH2+]Cc2cccnc2[N+](=O)[O-])C1(C)C ZINC000886160274 708708035 /nfs/dbraw/zinc/70/80/35/708708035.db2.gz OWNXEWJDQWTJMV-WFASDCNBSA-N 1 0 309.366 1.646 20 5 DDBDRO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@@H]3C[C@@]34CCOC4)CC2)n1 ZINC000886174998 708710082 /nfs/dbraw/zinc/71/00/82/708710082.db2.gz OFLMDSSHDFHKHK-SWLSCSKDSA-N 1 0 306.366 1.855 20 5 DDBDRO COc1ccc(NC(=O)[C@H](C)N2C[C@@H]3C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000886341407 708745874 /nfs/dbraw/zinc/74/58/74/708745874.db2.gz URFWAKYPIKGMEE-GARJFASQSA-N 1 0 305.334 1.882 20 5 DDBDRO CCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000886890331 708884441 /nfs/dbraw/zinc/88/44/41/708884441.db2.gz FNXSHFJRGDENSC-QMMMGPOBSA-N 1 0 305.381 1.029 20 5 DDBDRO C[NH+](C)C[C@H]1NC(=O)N(c2ccc([N+](=O)[O-])cc2Cl)C1=O ZINC000899304767 709051529 /nfs/dbraw/zinc/05/15/29/709051529.db2.gz DJSFOPRVRNAOSP-SECBINFHSA-N 1 0 312.713 1.235 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC000887927743 709166719 /nfs/dbraw/zinc/16/67/19/709166719.db2.gz HBPWMDIZVSLMPP-WBMJQRKESA-N 1 0 303.362 1.927 20 5 DDBDRO O=[N+]([O-])CC[NH2+]C[C@@H](O)COc1cccc(Cl)c1Cl ZINC000899876363 709224455 /nfs/dbraw/zinc/22/44/55/709224455.db2.gz RNYLAWMNRQLIAI-MRVPVSSYSA-N 1 0 309.149 1.599 20 5 DDBDRO C[C@@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000912806426 713097692 /nfs/dbraw/zinc/09/76/92/713097692.db2.gz FKHCKMXESGYAPO-JQWIXIFHSA-N 1 0 309.370 1.510 20 5 DDBDRO C[C@@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000912814181 713098915 /nfs/dbraw/zinc/09/89/15/713098915.db2.gz TUNDFIFBOJLZSO-JSGCOSHPSA-N 1 0 323.397 1.370 20 5 DDBDRO O=C(COc1cccc([N+](=O)[O-])c1)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912923012 713125601 /nfs/dbraw/zinc/12/56/01/713125601.db2.gz SBOATMJQHJFHGB-ZDUSSCGKSA-N 1 0 305.334 1.280 20 5 DDBDRO CC1(C)CC[N@H+](CCNC(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000890081096 709739481 /nfs/dbraw/zinc/73/94/81/709739481.db2.gz BSOLUAPYGPVYCN-UHFFFAOYSA-N 1 0 321.377 1.822 20 5 DDBDRO Cn1c2ccccc2c(NCC[NH+]2CCCC2)c([N+](=O)[O-])c1=O ZINC000891563842 710237424 /nfs/dbraw/zinc/23/74/24/710237424.db2.gz GXHHEJZMPSUGFP-UHFFFAOYSA-N 1 0 316.361 1.954 20 5 DDBDRO Cc1c(CNC(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)cccc1[N+](=O)[O-] ZINC000891850105 710309029 /nfs/dbraw/zinc/30/90/29/710309029.db2.gz YFYFCSVLKLFARJ-BETUJISGSA-N 1 0 304.350 1.549 20 5 DDBDRO C[C@@H](NC(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000892112652 710374150 /nfs/dbraw/zinc/37/41/50/710374150.db2.gz UEZCKTLOXKANKH-BNOWGMLFSA-N 1 0 318.377 1.859 20 5 DDBDRO Cc1ccc(CNC(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)cc1[N+](=O)[O-] ZINC000892536673 710453970 /nfs/dbraw/zinc/45/39/70/710453970.db2.gz IDYOZKRXRDBCMR-UONOGXRCSA-N 1 0 318.377 1.797 20 5 DDBDRO C[NH+]1C[C@@]2(C)CN(C(=O)c3ccc([N+](=O)[O-])cn3)C[C@]2(C)C1 ZINC000913285497 713191801 /nfs/dbraw/zinc/19/18/01/713191801.db2.gz YFLHFAKEXCOMIP-GJZGRUSLSA-N 1 0 304.350 1.404 20 5 DDBDRO C[C@@H]1[C@H](NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000928431519 713192724 /nfs/dbraw/zinc/19/27/24/713192724.db2.gz FBEXYQXVJIIWOX-BXUZGUMPSA-N 1 0 319.361 1.767 20 5 DDBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)n1 ZINC000902466842 710763026 /nfs/dbraw/zinc/76/30/26/710763026.db2.gz NOAIUIDKPKGYHQ-ITGHMWBKSA-N 1 0 305.382 1.758 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CCC(C)([NH+](C)C)CC2)n1 ZINC000913392924 713207408 /nfs/dbraw/zinc/20/74/08/713207408.db2.gz FIRNZKRHHRHXAM-UHFFFAOYSA-N 1 0 309.370 1.368 20 5 DDBDRO C[NH+](C)C1(C)CCN(C(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000913397197 713208048 /nfs/dbraw/zinc/20/80/48/713208048.db2.gz YRJUWXQMBXQFSU-UHFFFAOYSA-N 1 0 306.366 1.733 20 5 DDBDRO C[N@@H+]1C[C@@H]2CCN(c3ncnc4sc([N+](=O)[O-])cc43)[C@@H]2C1 ZINC000893941965 710895009 /nfs/dbraw/zinc/89/50/09/710895009.db2.gz XULUMRVBBJOEQD-WCBMZHEXSA-N 1 0 305.363 1.740 20 5 DDBDRO COc1cc([C@H](C)[NH2+][C@@H]2CCCN(C)C2=O)cc([N+](=O)[O-])c1 ZINC000903104663 711032750 /nfs/dbraw/zinc/03/27/50/711032750.db2.gz KUEWPWZBTDBBSP-IINYFYTJSA-N 1 0 307.350 1.875 20 5 DDBDRO CNC(=O)c1ccc(N2CCC(C)([NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000894849143 711295505 /nfs/dbraw/zinc/29/55/05/711295505.db2.gz AQCYEJHFYUMUQQ-UHFFFAOYSA-N 1 0 320.393 1.875 20 5 DDBDRO O=C(CCN1CCC[C@]12CC[NH2+]C2)Nc1ccccc1[N+](=O)[O-] ZINC000903864059 711307869 /nfs/dbraw/zinc/30/78/69/711307869.db2.gz GQLQSAGYQHZJJV-MRXNPFEDSA-N 1 0 318.377 1.751 20 5 DDBDRO C[C@H](C(=O)NC12CC[NH+](CC1)C2)c1ccc([N+](=O)[O-])cc1F ZINC000913632911 713272757 /nfs/dbraw/zinc/27/27/57/713272757.db2.gz DGGATKASOYVNCV-JTQLQIEISA-N 1 0 307.325 1.802 20 5 DDBDRO O=[N+]([O-])CC[NH2+]C[C@H](CO)Cc1cccc(Br)c1 ZINC000905368192 712018080 /nfs/dbraw/zinc/01/80/80/712018080.db2.gz YSOYQBJZIIZJOW-LLVKDONJSA-N 1 0 317.183 1.466 20 5 DDBDRO CCN1CCC[C@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1=O ZINC000905551885 712074955 /nfs/dbraw/zinc/07/49/55/712074955.db2.gz OBKMEDASBIVXFO-UONOGXRCSA-N 1 0 307.350 1.229 20 5 DDBDRO [NH3+]CC1CCN(C(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC000906628248 712374064 /nfs/dbraw/zinc/37/40/64/712374064.db2.gz RYUDZMSXDAOYDT-GJZGRUSLSA-N 1 0 303.362 1.896 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@@H](O)c2ccco2)c1 ZINC000915223428 713413484 /nfs/dbraw/zinc/41/34/84/713413484.db2.gz JIVUAODLYVAKII-TZMCWYRMSA-N 1 0 322.317 1.251 20 5 DDBDRO COC[C@H](C)[NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000916570971 713458462 /nfs/dbraw/zinc/45/84/62/713458462.db2.gz JLNFPHUEBVIHET-QMMMGPOBSA-N 1 0 301.730 1.811 20 5 DDBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000931043709 713989286 /nfs/dbraw/zinc/98/92/86/713989286.db2.gz RMDLRZCPRIZZNO-XNRPHZJLSA-N 1 0 323.393 1.359 20 5 DDBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000931046071 713990063 /nfs/dbraw/zinc/99/00/63/713990063.db2.gz SKQUKHNFBJANNQ-AAEUAGOBSA-N 1 0 306.366 1.558 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@@H]([NH+](C)C)[C@H]1C ZINC000931047190 713990390 /nfs/dbraw/zinc/99/03/90/713990390.db2.gz YDAQYNDWTUICPS-IUODEOHRSA-N 1 0 320.393 1.866 20 5 DDBDRO Cc1c(C[NH2+][C@@H]2C[C@H](O)C23CCOCC3)cccc1[N+](=O)[O-] ZINC000923021408 714216160 /nfs/dbraw/zinc/21/61/60/714216160.db2.gz YWVRYOICHWRPOY-CABCVRRESA-N 1 0 306.362 1.923 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)CN(C2CC2)C2CC[NH2+]CC2)c1 ZINC000923281176 714296511 /nfs/dbraw/zinc/29/65/11/714296511.db2.gz KUPBEMCOMHKZBS-MRXNPFEDSA-N 1 0 305.378 1.845 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC2(CC[NH2+]2)CC1 ZINC000923382819 714335848 /nfs/dbraw/zinc/33/58/48/714335848.db2.gz WGRDBALBUZRKFL-ZDUSSCGKSA-N 1 0 321.377 1.162 20 5 DDBDRO CC(C)[C@@H]1C[NH2+]CCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000923399984 714342337 /nfs/dbraw/zinc/34/23/37/714342337.db2.gz UEDKCAZNYKLCBZ-ZBFHGGJFSA-N 1 0 323.393 1.264 20 5 DDBDRO O=[N+]([O-])c1ccc(OCCN2CCC[C@H]([NH2+]CCO)C2)cc1 ZINC000923402866 714343765 /nfs/dbraw/zinc/34/37/65/714343765.db2.gz ATYFMKHLLXUHGJ-ZDUSSCGKSA-N 1 0 309.366 1.020 20 5 DDBDRO O=C1NCC2(CCOCC2)[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000933033032 714505330 /nfs/dbraw/zinc/50/53/30/714505330.db2.gz FOGWGTJBHXFSQN-ZDUSSCGKSA-N 1 0 323.324 1.119 20 5 DDBDRO CC[C@@H]1C(=O)NCCC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000933216833 714538793 /nfs/dbraw/zinc/53/87/93/714538793.db2.gz FNCZLEIUFYIGBJ-OAHLLOKOSA-N 1 0 321.377 1.964 20 5 DDBDRO C[C@](CO)(Cc1ccccc1F)[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000933433829 714587815 /nfs/dbraw/zinc/58/78/15/714587815.db2.gz CNWBGSKWZOSAOS-OAHLLOKOSA-N 1 0 322.340 1.514 20 5 DDBDRO C[C@@](CO)(Cc1ccccc1F)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000933434553 714588171 /nfs/dbraw/zinc/58/81/71/714588171.db2.gz KTHQRKTZLAADHI-HNNXBMFYSA-N 1 0 322.340 1.514 20 5 DDBDRO O=C1CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCCCCN1 ZINC000934155737 714756474 /nfs/dbraw/zinc/75/64/74/714756474.db2.gz SQPKTTREOUERDI-HNNXBMFYSA-N 1 0 321.377 1.620 20 5 DDBDRO O=[N+]([O-])c1ncccc1CN1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000934275915 714784365 /nfs/dbraw/zinc/78/43/65/714784365.db2.gz RXEXAESRAXJRFJ-ZIAGYGMSSA-N 1 0 306.366 1.021 20 5 DDBDRO C[C@H]1[C@H](NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000925343007 714820358 /nfs/dbraw/zinc/82/03/58/714820358.db2.gz KVTHVQZDCIDNMQ-GXTWGEPZSA-N 1 0 320.393 1.871 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCNCC[NH2+]CC1 ZINC000926057644 714998631 /nfs/dbraw/zinc/99/86/31/714998631.db2.gz ZSSOSRSVDJRJKA-UHFFFAOYSA-N 1 0 321.381 1.238 20 5 DDBDRO C[NH+]1CCC(ONC(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC000935842427 715132170 /nfs/dbraw/zinc/13/21/70/715132170.db2.gz RALFZVGMSBQLBQ-GJZGRUSLSA-N 1 0 319.361 1.840 20 5 DDBDRO C[N@@H+]1CCO[C@H]2CN(c3nccc4cc([N+](=O)[O-])ccc43)C[C@@H]21 ZINC000590694493 719481735 /nfs/dbraw/zinc/48/17/35/719481735.db2.gz XDWXIXXHPVIZHH-GJZGRUSLSA-N 1 0 314.345 1.662 20 5 DDBDRO Cc1ncc(C[NH3+])c(=N)n1-c1cc2cccnc2c([N+](=O)[O-])c1 ZINC001167676271 735404971 /nfs/dbraw/zinc/40/49/71/735404971.db2.gz WTZKOVLKRHOYGU-UHFFFAOYSA-N 1 0 310.317 1.575 20 5 DDBDRO CC1(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4cccc([N+](=O)[O-])c4)C[C@H]32)CC1 ZINC001025799442 736859455 /nfs/dbraw/zinc/85/94/55/736859455.db2.gz JTICKMICDSBYSH-FICVDOATSA-N 1 0 315.373 1.941 20 5 DDBDRO [NH3+]CCc1nnn(-c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)n1 ZINC001167790245 738619290 /nfs/dbraw/zinc/61/92/90/738619290.db2.gz DGCIQOJVFOKSAL-UHFFFAOYSA-N 1 0 302.216 1.091 20 5 DDBDRO [NH3+]CCc1nnn(-c2nc(-c3ccccc3)ccc2[N+](=O)[O-])n1 ZINC001167790678 738627719 /nfs/dbraw/zinc/62/77/19/738627719.db2.gz BABGYZSGMMQESI-UHFFFAOYSA-N 1 0 311.305 1.134 20 5 DDBDRO CC(=O)N1CCc2cc(N[C@H]3CC[N@@H+](C)C3)cc([N+](=O)[O-])c21 ZINC001167280647 732895200 /nfs/dbraw/zinc/89/52/00/732895200.db2.gz AGXAFPWONUALSP-LBPRGKRZSA-N 1 0 304.350 1.620 20 5 DDBDRO Cc1cc[nH]c1C(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001126518249 740552827 /nfs/dbraw/zinc/55/28/27/740552827.db2.gz IBIDMUDPFDYUGC-UHFFFAOYSA-N 1 0 302.334 1.751 20 5 DDBDRO O=[N+]([O-])c1cc2c(cc1N[C@@H]1COCCC13OCCO3)C[NH2+]C2 ZINC001168352343 742218068 /nfs/dbraw/zinc/21/80/68/742218068.db2.gz DPEPYGZTJAKRCJ-CQSZACIVSA-N 1 0 321.333 1.142 20 5 DDBDRO O=C(NC1CC[NH+](CC2CC3(CCC3)C2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001002787982 743429772 /nfs/dbraw/zinc/42/97/72/743429772.db2.gz KZJVNKQGLFFQAS-HUUCEWRRSA-N 1 0 321.421 1.813 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CC2CCC(F)CC2)c1 ZINC001120506659 744255945 /nfs/dbraw/zinc/25/59/45/744255945.db2.gz FIKCSRLTHCXUKA-XIVSLSHWSA-N 1 0 300.334 1.270 20 5 DDBDRO CC(C)OCCC[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001195770087 746692582 /nfs/dbraw/zinc/69/25/82/746692582.db2.gz OQJBGQRAQXXBQA-ZIAGYGMSSA-N 1 0 313.398 1.001 20 5 DDBDRO CC(C)([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCCCO1 ZINC001197114422 747070754 /nfs/dbraw/zinc/07/07/54/747070754.db2.gz GWSCPHFMFPKJOA-OLZOCXBDSA-N 1 0 312.370 1.090 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H]2CCOCC23CCCC3)c1 ZINC001198755496 747599838 /nfs/dbraw/zinc/59/98/38/747599838.db2.gz ZSFFWUBOAANLSY-KBPBESRZSA-N 1 0 324.381 1.091 20 5 DDBDRO CCN(CCNc1ccc([N+](=O)[O-])c(C)n1)C(=O)CC[NH+](C)C ZINC001106946485 748216686 /nfs/dbraw/zinc/21/66/86/748216686.db2.gz KGWYIRMRLYMGIA-UHFFFAOYSA-N 1 0 323.397 1.510 20 5 DDBDRO O=C(CC1CCOCC1)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001125050432 748810227 /nfs/dbraw/zinc/81/02/27/748810227.db2.gz OGCMQPIODGLAFZ-UHFFFAOYSA-N 1 0 321.377 1.617 20 5 DDBDRO Cc1cccc(C[NH2+]C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1 ZINC000996430060 749589310 /nfs/dbraw/zinc/58/93/10/749589310.db2.gz ZDZWSXNLHIAYNU-HZPDHXFCSA-N 1 0 317.389 1.741 20 5 DDBDRO CN(CC[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)C(=O)OC(C)(C)C ZINC001168957443 762153843 /nfs/dbraw/zinc/15/38/43/762153843.db2.gz HLDPHXJEJIATHQ-NEPJUHHUSA-N 1 0 301.387 1.888 20 5 DDBDRO CC(C)(C)OC(=O)N1CC(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168956216 762154126 /nfs/dbraw/zinc/15/41/26/762154126.db2.gz AHXYZNXFQUKOOA-DGCLKSJQSA-N 1 0 313.398 1.888 20 5 DDBDRO CCOc1ccc([C@@H](CO)[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)cn1 ZINC001168961692 762155945 /nfs/dbraw/zinc/15/59/45/762155945.db2.gz JQHIDOGZZRBOAJ-MRVWCRGKSA-N 1 0 309.366 1.549 20 5 DDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2cncn2C2CCOCC2)C1 ZINC001169002304 762173056 /nfs/dbraw/zinc/17/30/56/762173056.db2.gz KJHCYSFANBOIDA-STQMWFEESA-N 1 0 308.382 1.770 20 5 DDBDRO COc1cccc(C[C@H](CO)[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001168986801 762179649 /nfs/dbraw/zinc/17/96/49/762179649.db2.gz ZQNZYHAXIAHTBS-SOUVJXGZSA-N 1 0 308.378 1.634 20 5 DDBDRO O=C(NC1CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1)C(F)(F)F ZINC001169036034 762191787 /nfs/dbraw/zinc/19/17/87/762191787.db2.gz MTZWSWTYPZLGGP-KOLCDFICSA-N 1 0 323.315 1.575 20 5 DDBDRO COC[C@@H]1C[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)Cc2cn(C)nc21 ZINC001169018750 762199072 /nfs/dbraw/zinc/19/90/72/762199072.db2.gz DIQCMSLLZLLXRR-UBHSHLNASA-N 1 0 308.382 1.411 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCN(Cc3ccncc3)CC2)C1 ZINC001169024931 762202240 /nfs/dbraw/zinc/20/22/40/762202240.db2.gz HVZPEROECIXDMQ-CVEARBPZSA-N 1 0 304.394 1.645 20 5 DDBDRO CCOC(=O)[C@@H]1C[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CCS1 ZINC001169046745 762204749 /nfs/dbraw/zinc/20/47/49/762204749.db2.gz MKCKNRQCOBDCHI-UTUOFQBUSA-N 1 0 302.396 1.412 20 5 DDBDRO CC1=NC2(CC[NH+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)C(=O)N1C ZINC001169054213 762209022 /nfs/dbraw/zinc/20/90/22/762209022.db2.gz KVLWKOVRSDZASR-QWHCGFSZSA-N 1 0 308.382 1.157 20 5 DDBDRO Nc1cccc(CN2CC[NH+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)c1 ZINC001169054940 762209949 /nfs/dbraw/zinc/20/99/49/762209949.db2.gz OLCJISJQLGTIPC-RDJZCZTQSA-N 1 0 318.421 1.832 20 5 DDBDRO COc1ccc(O[C@@H]2CC[N@@H+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)nc1 ZINC001169054472 762210238 /nfs/dbraw/zinc/21/02/38/762210238.db2.gz MEGADDRCOXJBCA-VNHYZAJKSA-N 1 0 321.377 1.989 20 5 DDBDRO C[NH+](C)CCCC(=O)N[C@H]1C[C@@H](Nc2ccccc2[N+](=O)[O-])C1 ZINC001097245157 757015929 /nfs/dbraw/zinc/01/59/29/757015929.db2.gz ZPGMCFUVTQUZEL-BETUJISGSA-N 1 0 320.393 1.996 20 5 DDBDRO CCC[N@H+](C)CC(=O)N(C)CCCNc1ccc([N+](=O)[O-])cn1 ZINC001109496184 763754503 /nfs/dbraw/zinc/75/45/03/763754503.db2.gz HGABYUUPGLDLDU-UHFFFAOYSA-N 1 0 323.397 1.592 20 5 DDBDRO [NH3+]Cc1ccc2nnn(-c3cccc4ncc([N+](=O)[O-])n43)c2c1 ZINC001170027150 764154906 /nfs/dbraw/zinc/15/49/06/764154906.db2.gz YKGGCXILMCRBPC-UHFFFAOYSA-N 1 0 309.289 1.435 20 5 DDBDRO COc1ccc(C[C@@H](C)[NH2+]C2(C(N)=O)CCCC2)c([N+](=O)[O-])c1 ZINC001170310476 766243727 /nfs/dbraw/zinc/24/37/27/766243727.db2.gz WQILZKZRVTXGNX-LLVKDONJSA-N 1 0 321.377 1.922 20 5 DDBDRO COc1ccc(C[C@@H](C)[NH2+][C@H]2CCN(C(C)=O)C2)c([N+](=O)[O-])c1 ZINC001170315478 766246357 /nfs/dbraw/zinc/24/63/57/766246357.db2.gz XURHNMRKOKEDKT-RISCZKNCSA-N 1 0 321.377 1.745 20 5 DDBDRO COc1ccc(C[C@@H](C)[NH2+][C@@H]2CCN(C(C)=O)C2)c([N+](=O)[O-])c1 ZINC001170315473 766246734 /nfs/dbraw/zinc/24/67/34/766246734.db2.gz XURHNMRKOKEDKT-BXUZGUMPSA-N 1 0 321.377 1.745 20 5 DDBDRO COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2CNC(=O)O2)c([N+](=O)[O-])c1 ZINC001170326030 766253027 /nfs/dbraw/zinc/25/30/27/766253027.db2.gz CMJOIAUDDBUVCL-BXKDBHETSA-N 1 0 309.322 1.232 20 5 DDBDRO COc1ccc(C[C@H](C)[NH2+][C@@H]2CCN(C)C(=O)C2)c([N+](=O)[O-])c1 ZINC001170308710 766259247 /nfs/dbraw/zinc/25/92/47/766259247.db2.gz ODHXWWHXULKFSB-WCQYABFASA-N 1 0 321.377 1.745 20 5 DDBDRO COc1ccc(C[C@H](C)N2CC3(C2)C[NH+](C)C3)c([N+](=O)[O-])c1 ZINC001170355466 766261911 /nfs/dbraw/zinc/26/19/11/766261911.db2.gz GCODTQYAKYWDJP-LBPRGKRZSA-N 1 0 305.378 1.782 20 5 DDBDRO CCc1ncoc1C(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001133589590 770021674 /nfs/dbraw/zinc/02/16/74/770021674.db2.gz QLRGBPAVZUQKKF-UHFFFAOYSA-N 1 0 324.362 1.726 20 5 DDBDRO COc1c([N+](=O)[O-])cc(Cl)c(C)c1N[C@@H]1C[NH2+]C[C@H]1CO ZINC001170781151 771244104 /nfs/dbraw/zinc/24/41/04/771244104.db2.gz JCLLBADHDXEQQR-WCBMZHEXSA-N 1 0 315.757 1.557 20 5 DDBDRO Cc1cc(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)ccn1 ZINC001135559572 771577855 /nfs/dbraw/zinc/57/78/55/771577855.db2.gz QBPDHIGMNXZWOP-UHFFFAOYSA-N 1 0 314.345 1.818 20 5 DDBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N[C@@H]1CC[NH2+]C[C@@H]1C(F)(F)F ZINC001160738169 772675025 /nfs/dbraw/zinc/67/50/25/772675025.db2.gz JTQNDBVKHVBVOJ-DTWKUNHWSA-N 1 0 320.271 1.489 20 5 DDBDRO COc1ccnc(N2c3ccccc3OC[C@H]2C[NH3+])c1[N+](=O)[O-] ZINC001171390743 774350345 /nfs/dbraw/zinc/35/03/45/774350345.db2.gz YWHPYDJMUQIHNU-SNVBAGLBSA-N 1 0 316.317 1.856 20 5 DDBDRO CC[N@H+](C)C(C)(C)C(=O)NCCNc1ncccc1[N+](=O)[O-] ZINC001093953265 775262175 /nfs/dbraw/zinc/26/21/75/775262175.db2.gz UFTAGJPRIGPOQH-UHFFFAOYSA-N 1 0 309.370 1.248 20 5 DDBDRO O=C1CC[C@H]([NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C(=O)N1 ZINC001172900352 776915003 /nfs/dbraw/zinc/91/50/03/776915003.db2.gz SOAAQHCHRDQCHO-JSGCOSHPSA-N 1 0 317.345 1.237 20 5 DDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H]2[C@H](C1)OCCN2C ZINC001173220966 777053356 /nfs/dbraw/zinc/05/33/56/777053356.db2.gz DTOUANAQJFLNGQ-WQVCFCJDSA-N 1 0 305.378 1.541 20 5 DDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCO[C@@H]2C[C@@H](CO)C[C@H]21 ZINC001173222786 777055789 /nfs/dbraw/zinc/05/57/89/777055789.db2.gz VPBHAYCIMQMLMB-JWZBEHFJSA-N 1 0 320.389 1.998 20 5 DDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](O)[C@](C)(CO)C1 ZINC001173222734 777056022 /nfs/dbraw/zinc/05/60/22/777056022.db2.gz UZRGCJRGYOHNDL-WQVCFCJDSA-N 1 0 308.378 1.591 20 5 DDBDRO COC(=O)C1(O)CC[NH+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173229823 777063770 /nfs/dbraw/zinc/06/37/70/777063770.db2.gz ANHUHYNSIPHEDR-GFCCVEGCSA-N 1 0 322.361 1.526 20 5 DDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)n1cncc1C[C@@H]([NH3+])CO ZINC001173235378 777064661 /nfs/dbraw/zinc/06/46/61/777064661.db2.gz SJYMYYAPVYEAAD-DGCLKSJQSA-N 1 0 304.350 1.457 20 5 DDBDRO C[C@H]([NH2+]C[C@@H](O)C[C@@]1(O)CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC001176036340 778008713 /nfs/dbraw/zinc/00/87/13/778008713.db2.gz JZVXUODQWUAAJZ-CQDKDKBSSA-N 1 0 310.350 1.148 20 5 DDBDRO O=C(Cn1ccnc1)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001177401572 778578891 /nfs/dbraw/zinc/57/88/91/778578891.db2.gz VXBRDXIPRNHMSQ-UHFFFAOYSA-N 1 0 317.349 1.087 20 5 DDBDRO C[NH+](C)CCC(=O)NCC1(Nc2ncccc2[N+](=O)[O-])CCC1 ZINC001111903300 779548481 /nfs/dbraw/zinc/54/84/81/779548481.db2.gz QSSKARPFUCRSRX-UHFFFAOYSA-N 1 0 321.381 1.392 20 5 DDBDRO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001150929280 779783945 /nfs/dbraw/zinc/78/39/45/779783945.db2.gz SQYLGEYNZUBPHT-CYBMUJFWSA-N 1 0 314.345 1.580 20 5 DDBDRO C[C@]1(CO)CCC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC001116361045 780500385 /nfs/dbraw/zinc/50/03/85/780500385.db2.gz FCCJVVVFSCJCGP-ZBFHGGJFSA-N 1 0 324.377 1.429 20 5 DDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC001118740954 781228251 /nfs/dbraw/zinc/22/82/51/781228251.db2.gz UWOSVNVCIGTLGW-CQSZACIVSA-N 1 0 306.366 1.707 20 5 DDBDRO Cc1cc(C(=O)NCCC[NH2+]Cc2cccc([N+](=O)[O-])c2)on1 ZINC001154554881 861210528 /nfs/dbraw/zinc/21/05/28/861210528.db2.gz KUAAIRDGKYRHAW-UHFFFAOYSA-N 1 0 318.333 1.801 20 5 DDBDRO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@@H]([NH+]2CCCC2)C1 ZINC001142937884 861317071 /nfs/dbraw/zinc/31/70/71/861317071.db2.gz KXRQAVBVKRERLS-AOOOYVTPSA-N 1 0 322.340 1.673 20 5 DDBDRO COC(=O)[C@@H](Nc1ncc(Cl)cc1[N+](=O)[O-])C(C)(C)[NH3+] ZINC001155369297 862002240 /nfs/dbraw/zinc/00/22/40/862002240.db2.gz SHRDLDMMHFOLSB-MRVPVSSYSA-N 1 0 302.718 1.334 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)n1 ZINC001150120258 862099717 /nfs/dbraw/zinc/09/97/17/862099717.db2.gz UWVZJAYITBMNDV-LKFCYVNXSA-N 1 0 304.350 1.511 20 5 DDBDRO O=[N+]([O-])c1cccc2nc(N[C@H]3COCCC34C[NH2+]C4)ccc21 ZINC001155462369 862114101 /nfs/dbraw/zinc/11/41/01/862114101.db2.gz RFNZUNKCRCHTHN-AWEZNQCLSA-N 1 0 314.345 1.933 20 5 DDBDRO COc1cc(NCC[C@H]2CCOC23C[NH2+]C3)ncc1[N+](=O)[O-] ZINC001155478370 862135973 /nfs/dbraw/zinc/13/59/73/862135973.db2.gz STEXQBDDXADNGH-JTQLQIEISA-N 1 0 308.338 1.179 20 5 DDBDRO Cc1noc([C@]23COC[C@H]2C[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C3)n1 ZINC001169019997 850518176 /nfs/dbraw/zinc/51/81/76/850518176.db2.gz HMMQDZCPHPEFHA-RGCMKSIDSA-N 1 0 322.365 1.023 20 5 DDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CC[N@H+](CC1=CCCCC1)C2 ZINC001072725852 857642246 /nfs/dbraw/zinc/64/22/46/857642246.db2.gz TULKUKUKOWKVSE-HUUCEWRRSA-N 1 0 319.405 1.686 20 5 DDBDRO O=C(Cc1ccc[nH]1)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001151775560 862963097 /nfs/dbraw/zinc/96/30/97/862963097.db2.gz ZNVVORFXQVFVFX-UHFFFAOYSA-N 1 0 308.363 1.433 20 5 DDBDRO Cc1nn(CCC(=O)N2[C@H](C)C[NH2+][C@H](C)[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC001122182501 858705012 /nfs/dbraw/zinc/70/50/12/858705012.db2.gz VUIGWRZUCTXQQV-FOGDFJRCSA-N 1 0 323.397 1.396 20 5 DDBDRO CCOc1ccc(C(=O)N2C[C@H]([NH3+])C(C)(C)C2)cc1[N+](=O)[O-] ZINC001122246158 858724201 /nfs/dbraw/zinc/72/42/01/858724201.db2.gz RHTMRYIZANNHGV-ZDUSSCGKSA-N 1 0 307.350 1.803 20 5 DDBDRO O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1cncs1 ZINC001124247781 859652678 /nfs/dbraw/zinc/65/26/78/859652678.db2.gz XBEBJAOEXZLHER-UHFFFAOYSA-N 1 0 312.376 1.632 20 5 DDBDRO O=C(NCCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1cnccn1 ZINC001154260726 860929927 /nfs/dbraw/zinc/92/99/27/860929927.db2.gz LVTFZFBERNGGBR-UHFFFAOYSA-N 1 0 321.362 1.356 20 5 DDBDRO C[C@H](COCc1ccccc1)COC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001225005173 881633753 /nfs/dbraw/zinc/63/37/53/881633753.db2.gz ZYSSJLPLZIGECC-NVXWUHKLSA-N 1 0 324.441 1.840 20 5 DDBDRO O=C(N[C@H]1CC[NH2+]C12CCC2)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001329055424 863448030 /nfs/dbraw/zinc/44/80/30/863448030.db2.gz OFHXLSAZOZUMQD-AWEZNQCLSA-N 1 0 316.361 1.905 20 5 DDBDRO C[N@@H+]1CCC[C@H]2CN(c3ncc([N+](=O)[O-])cc3[N+](=O)[O-])C[C@@H]21 ZINC001157266667 863696010 /nfs/dbraw/zinc/69/60/10/863696010.db2.gz VXJIZHOIWLFAHZ-CABZTGNLSA-N 1 0 307.310 1.428 20 5 DDBDRO COCCC[NH2+]CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCCC1 ZINC001329819170 863875520 /nfs/dbraw/zinc/87/55/20/863875520.db2.gz QKFHIKWXFMPEFT-CHWSQXEVSA-N 1 0 313.398 1.097 20 5 DDBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CCC[C@H]([NH3+])[C@H]1C ZINC001157742559 864092855 /nfs/dbraw/zinc/09/28/55/864092855.db2.gz FFUGBAABLNDOTF-SKDRFNHKSA-N 1 0 308.338 1.483 20 5 DDBDRO O=[N+]([O-])c1cc[n+]([O-])c(N2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC001157759468 864109242 /nfs/dbraw/zinc/10/92/42/864109242.db2.gz MHXNLHLLGHRQAE-AWEZNQCLSA-N 1 0 300.318 1.379 20 5 DDBDRO [NH3+]C[C@@]1(F)CCN(c2ccc(-c3ccccc3[N+](=O)[O-])nn2)C1 ZINC001157817531 864167202 /nfs/dbraw/zinc/16/72/02/864167202.db2.gz XAFGKJMOWMKGQI-HNNXBMFYSA-N 1 0 317.324 1.929 20 5 DDBDRO C[NH+](C)CC(C)(C)CNc1cc([N+](=O)[O-])cc(Cl)[n+]1[O-] ZINC001157944335 864290751 /nfs/dbraw/zinc/29/07/51/864290751.db2.gz JDTIBUHWOVHFHD-UHFFFAOYSA-N 1 0 302.762 1.881 20 5 DDBDRO COC(=O)c1ccnc(N(CC[NH3+])c2cccnc2)c1[N+](=O)[O-] ZINC001158001058 864346969 /nfs/dbraw/zinc/34/69/69/864346969.db2.gz OJKUSSJJSNEKKZ-UHFFFAOYSA-N 1 0 317.305 1.268 20 5 DDBDRO CSc1nc(Cl)nc(-n2cc(CC[NH3+])cn2)c1[N+](=O)[O-] ZINC001158100502 864429694 /nfs/dbraw/zinc/42/96/94/864429694.db2.gz LLHTYGXIPIRTJH-UHFFFAOYSA-N 1 0 314.758 1.447 20 5 DDBDRO Cc1nc(N2CCO[C@H](C[NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC001158303767 864556076 /nfs/dbraw/zinc/55/60/76/864556076.db2.gz CVQDHWBGJCAMPL-CYBMUJFWSA-N 1 0 306.366 1.599 20 5 DDBDRO COc1cc(-n2cc(CC[NH3+])c3ncccc32)ncc1[N+](=O)[O-] ZINC001158748957 864879889 /nfs/dbraw/zinc/87/98/89/864879889.db2.gz RNDGXXJRLWVZGG-UHFFFAOYSA-N 1 0 313.317 1.839 20 5 DDBDRO C[C@](O)(C[C@@H](O)CN1Cc2ccc([N+](=O)[O-])cc2C1)C1CC1 ZINC001331756871 865298654 /nfs/dbraw/zinc/29/86/54/865298654.db2.gz CEEXVAWXQWBVPF-CVEARBPZSA-N 1 0 306.362 1.822 20 5 DDBDRO O=C([O-])C[NH+]1CCC([NH2+]CCc2ccccc2[N+](=O)[O-])CC1 ZINC001331952048 865454882 /nfs/dbraw/zinc/45/48/82/865454882.db2.gz KGCBRSGONOWNQP-UHFFFAOYSA-N 1 0 307.350 1.276 20 5 DDBDRO O=[N+]([O-])c1ccccc1-c1ccc(N[C@@H]2C[NH2+]C[C@@H]2CO)nn1 ZINC001159680149 865467001 /nfs/dbraw/zinc/46/70/01/865467001.db2.gz GROBRPYYKTVGRH-ZWNOBZJWSA-N 1 0 315.333 1.044 20 5 DDBDRO CC[C@@]([NH3+])(CO)Nc1cc2ncnc(Cl)c2cc1[N+](=O)[O-] ZINC001159743961 865497931 /nfs/dbraw/zinc/49/79/31/865497931.db2.gz OPKCTRQGWYWAKH-LBPRGKRZSA-N 1 0 311.729 1.661 20 5 DDBDRO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1NCC(C)(C)[NH3+] ZINC001160024826 865643956 /nfs/dbraw/zinc/64/39/56/865643956.db2.gz BBTDZRGKTKJALS-UHFFFAOYSA-N 1 0 316.745 1.969 20 5 DDBDRO CC(C)(NC(=O)CO[C@H]1CCC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC001332451979 865851309 /nfs/dbraw/zinc/85/13/09/865851309.db2.gz LUQZVGDWGDOUBT-AWEZNQCLSA-N 1 0 321.377 1.715 20 5 DDBDRO Cc1nc(C)c(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)[nH]1 ZINC001333007466 866334625 /nfs/dbraw/zinc/33/46/25/866334625.db2.gz XPHFZJOXJISZOF-UHFFFAOYSA-N 1 0 304.354 1.968 20 5 DDBDRO O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1N[C@H]1CC[N@@H+](C2CCC2)C1 ZINC001161177633 866427983 /nfs/dbraw/zinc/42/79/83/866427983.db2.gz QUWCJVKBAYGVRW-VIFPVBQESA-N 1 0 312.757 1.920 20 5 DDBDRO O=C1c2ccccc2C(=O)N1CC1CC[NH+](CC[N+](=O)[O-])CC1 ZINC001333119033 866438059 /nfs/dbraw/zinc/43/80/59/866438059.db2.gz PZMKJESTKFYDSR-UHFFFAOYSA-N 1 0 317.345 1.271 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1-c1nc([C@@H]2C[NH+]3CCC2CC3)no1 ZINC001320327797 866647334 /nfs/dbraw/zinc/64/73/34/866647334.db2.gz MPFRROCQBPCMDV-SECBINFHSA-N 1 0 304.310 1.188 20 5 DDBDRO COc1cc(NC2CCN([C@H]3CC[NH2+]C3)CC2)ncc1[N+](=O)[O-] ZINC001161463454 866683870 /nfs/dbraw/zinc/68/38/70/866683870.db2.gz DCPYHLBPWSRJTC-LBPRGKRZSA-N 1 0 321.381 1.237 20 5 DDBDRO CNc1c(C(=O)NCC[N@@H+]2CC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC001320379468 866691543 /nfs/dbraw/zinc/69/15/43/866691543.db2.gz UXLPKYCCRPIZKE-NSHDSACASA-N 1 0 306.366 1.708 20 5 DDBDRO CN1CC[NH+](CCCNc2cc([N+](=O)[O-])c3nccn3c2)CC1 ZINC001161708605 866920862 /nfs/dbraw/zinc/92/08/62/866920862.db2.gz OISCZVIEAKPBRM-UHFFFAOYSA-N 1 0 318.381 1.292 20 5 DDBDRO CC1CC[NH+](CCc2nnc(Cn3cc([N+](=O)[O-])cn3)o2)CC1 ZINC001324122051 867083689 /nfs/dbraw/zinc/08/36/89/867083689.db2.gz MGRDEOAGUMNYLV-UHFFFAOYSA-N 1 0 320.353 1.497 20 5 DDBDRO Cn1nnnc1CCC[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC001333895176 867127767 /nfs/dbraw/zinc/12/77/67/867127767.db2.gz LEKARXYUVYJLIN-UHFFFAOYSA-N 1 0 310.745 1.494 20 5 DDBDRO C[NH+](C)C[C@](C)(O)CNc1ncc([N+](=O)[O-])c2ccccc21 ZINC001333925033 867160897 /nfs/dbraw/zinc/16/08/97/867160897.db2.gz ATAZBYLROXMJMY-OAHLLOKOSA-N 1 0 304.350 1.868 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc(F)cc1[N+](=O)[O-] ZINC001225904267 882105408 /nfs/dbraw/zinc/10/54/08/882105408.db2.gz AHPJZTXLLFFSNP-SNVBAGLBSA-N 1 0 301.294 1.097 20 5 DDBDRO COC(=O)[C@@H](Nc1ccc2c(n1)[nH]cc2[N+](=O)[O-])C(C)(C)[NH3+] ZINC001162941821 867929109 /nfs/dbraw/zinc/92/91/09/867929109.db2.gz CAFBIONAUUZOLG-SNVBAGLBSA-N 1 0 307.310 1.162 20 5 DDBDRO CCC(=O)NCCC1(C[NH2+]Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC001163035811 868020872 /nfs/dbraw/zinc/02/08/72/868020872.db2.gz FNHBRTOJCQTSEP-UHFFFAOYSA-N 1 0 309.370 1.114 20 5 DDBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC(C2=CC=C(N)C[NH2+]2)CC1 ZINC001163128837 868135579 /nfs/dbraw/zinc/13/55/79/868135579.db2.gz CNDACXFWBFTGTO-UHFFFAOYSA-N 1 0 315.377 1.844 20 5 DDBDRO O=[N+]([O-])c1cc[n+]([O-])c(N[C@@H]2C[NH2+]Cc3ccsc32)c1F ZINC001163221819 868228209 /nfs/dbraw/zinc/22/82/09/868228209.db2.gz YZBCZCPODNTUJC-MRVPVSSYSA-N 1 0 310.310 1.685 20 5 DDBDRO CN1CC[C@H](C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1=O ZINC001335353912 868245040 /nfs/dbraw/zinc/24/50/40/868245040.db2.gz VMSJKWJWMMKQTI-FZMZJTMJSA-N 1 0 307.350 1.086 20 5 DDBDRO COc1ccnc(N[C@@H]2CCO[C@@]3(CC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC001163304316 868328649 /nfs/dbraw/zinc/32/86/49/868328649.db2.gz HOBJXCJTWIJYPH-YGRLFVJLSA-N 1 0 308.338 1.321 20 5 DDBDRO Cc1c[n+]([O-])c(N[C@H]2CCCC[C@@]23C[NH2+]CCO3)cc1[N+](=O)[O-] ZINC001163645896 868587941 /nfs/dbraw/zinc/58/79/41/868587941.db2.gz HNYLNOWWUUXKCK-DZGCQCFKSA-N 1 0 322.365 1.250 20 5 DDBDRO COc1ncc([N+](=O)[O-])cc1N[C@H]1CCCC[C@@]12C[NH2+]CCO2 ZINC001163650386 868594188 /nfs/dbraw/zinc/59/41/88/868594188.db2.gz NUIAZWRIPZMLMA-DZGCQCFKSA-N 1 0 322.365 1.712 20 5 DDBDRO CSc1nc(Cl)nc(N2CC([NH+](C)C)C2)c1[N+](=O)[O-] ZINC001163940796 868810237 /nfs/dbraw/zinc/81/02/37/868810237.db2.gz UMEAAQLDNYSFAM-UHFFFAOYSA-N 1 0 303.775 1.510 20 5 DDBDRO C[C@H]1CC[C@@H](C[NH3+])N(c2c([N+](=O)[O-])cc[n+]([O-])c2Cl)C1 ZINC001164071440 868924493 /nfs/dbraw/zinc/92/44/93/868924493.db2.gz STXAYSSQBBCUFP-IUCAKERBSA-N 1 0 300.746 1.445 20 5 DDBDRO C[C@@H](CNC(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1ccccc1[N+](=O)[O-] ZINC001337029760 869275329 /nfs/dbraw/zinc/27/53/29/869275329.db2.gz KXNZJIFWGLFRIH-CDGCEXEKSA-N 1 0 318.377 1.890 20 5 DDBDRO [NH3+]CC1(F)CCN(c2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC001165264132 869478249 /nfs/dbraw/zinc/47/82/49/869478249.db2.gz SDDQYLMKFXVCAS-UHFFFAOYSA-N 1 0 305.313 1.805 20 5 DDBDRO O=[N+]([O-])c1cnc(N2CCOCC23C[NH2+]C3)c2ccccc21 ZINC001165287028 869496961 /nfs/dbraw/zinc/49/69/61/869496961.db2.gz XLQWTAGAZUXJHP-UHFFFAOYSA-N 1 0 300.318 1.322 20 5 DDBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N2CC[C@H]3C[C@@]3([NH3+])C2)n1 ZINC001165325518 869518292 /nfs/dbraw/zinc/51/82/92/869518292.db2.gz WBFQJQOXEKQHRN-UPONEAKYSA-N 1 0 315.786 1.688 20 5 DDBDRO Cc1nc2c(n1-c1nc(C)nc(Cl)c1[N+](=O)[O-])CC[NH2+]CC2 ZINC001165351754 869537305 /nfs/dbraw/zinc/53/73/05/869537305.db2.gz IETFHALOJVOQRY-UHFFFAOYSA-N 1 0 322.756 1.529 20 5 DDBDRO COc1cc(C)nc(-n2c(C)nc3c2CC[NH2+]CC3)c1[N+](=O)[O-] ZINC001165353224 869542717 /nfs/dbraw/zinc/54/27/17/869542717.db2.gz MXYNDNZZJZCCFJ-UHFFFAOYSA-N 1 0 317.349 1.489 20 5 DDBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N2CCC[C@@H]3[NH2+]C[C@H]32)n1 ZINC001165386940 869560846 /nfs/dbraw/zinc/56/08/46/869560846.db2.gz GGTWWVPACWVZAV-NKWVEPMBSA-N 1 0 315.786 1.701 20 5 DDBDRO [NH3+]CCc1nccn1-c1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC001166370134 869971179 /nfs/dbraw/zinc/97/11/79/869971179.db2.gz UZOZWJPYUMPTAF-UHFFFAOYSA-N 1 0 301.228 1.696 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H]2CC23CCOCC3)c1 ZINC001338518473 870026027 /nfs/dbraw/zinc/02/60/27/870026027.db2.gz JFMRGWKFRRPTBB-UKRRQHHQSA-N 1 0 322.361 1.493 20 5 DDBDRO Cc1cncc([N+](=O)[O-])c1NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001338680973 870112283 /nfs/dbraw/zinc/11/22/83/870112283.db2.gz HGZGIULHWLNIRU-CHWSQXEVSA-N 1 0 308.382 1.631 20 5 DDBDRO O=C(N[C@H]1C[C@H]([NH2+]C/C=C\c2ccccc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001317076035 870206800 /nfs/dbraw/zinc/20/68/00/870206800.db2.gz LIMVVEIMNPSBKN-ORAZFKFHSA-N 1 0 315.373 1.602 20 5 DDBDRO COC(=O)c1cc(OC)c(O[C@@H]2CC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC001226362591 882388512 /nfs/dbraw/zinc/38/85/12/882388512.db2.gz XEMWQGCIJCGKMU-SNVBAGLBSA-N 1 0 310.306 1.473 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[C@@H]2C[N@H+](C)C[C@H]12 ZINC001339316049 870442045 /nfs/dbraw/zinc/44/20/45/870442045.db2.gz GECHUHDHBHXLHO-DDTOSNHZSA-N 1 0 319.361 1.673 20 5 DDBDRO C[C@@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC001339681577 870631206 /nfs/dbraw/zinc/63/12/06/870631206.db2.gz XOJNEOSFSJCHDR-MNOVXSKESA-N 1 0 309.370 1.653 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCC[NH+]1CC=CC1 ZINC001339862797 870743649 /nfs/dbraw/zinc/74/36/49/870743649.db2.gz UDGGCBVUDWRPCL-UHFFFAOYSA-N 1 0 320.349 1.987 20 5 DDBDRO CSCC[C@H]([NH3+])CC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001339985038 870822442 /nfs/dbraw/zinc/82/24/42/870822442.db2.gz GTMFXHBXTVBZBP-LBPRGKRZSA-N 1 0 309.391 1.908 20 5 DDBDRO CCn1c(CCC[N+](=O)[O-])nnc1N1CC[N@H+](CC)[C@H](C)C1 ZINC001340011947 870837291 /nfs/dbraw/zinc/83/72/91/870837291.db2.gz MQNPHMVJOQLWAR-GFCCVEGCSA-N 1 0 310.402 1.038 20 5 DDBDRO O=C(NCCNc1cc[nH+]cc1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC001306414714 871341202 /nfs/dbraw/zinc/34/12/02/871341202.db2.gz NARVCIQQAZMXHQ-UHFFFAOYSA-N 1 0 320.736 1.907 20 5 DDBDRO [NH3+]C1(CO)CCN(c2ncc([N+](=O)[O-])c3ccccc32)CC1 ZINC001306989084 871387772 /nfs/dbraw/zinc/38/77/72/871387772.db2.gz JCZLVSFQNHSQFW-UHFFFAOYSA-N 1 0 302.334 1.433 20 5 DDBDRO Cc1c(C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC001340960350 871442631 /nfs/dbraw/zinc/44/26/31/871442631.db2.gz PNFCGXPORMRSRM-NXEZZACHSA-N 1 0 317.267 1.865 20 5 DDBDRO CNC(=O)C[C@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC001308770011 871528024 /nfs/dbraw/zinc/52/80/24/871528024.db2.gz PKOVTZMQWIXQPM-NSHDSACASA-N 1 0 321.381 1.073 20 5 DDBDRO C[C@H]([NH3+])CONC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC001341238482 871572215 /nfs/dbraw/zinc/57/22/15/871572215.db2.gz IMQGVHVWXLZGOY-LURJTMIESA-N 1 0 318.127 1.366 20 5 DDBDRO [NH3+]C[C@@]12CC[C@@H]1CCN2C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC001341591163 871727226 /nfs/dbraw/zinc/72/72/26/871727226.db2.gz LVLBEHDZBYYRFH-CJNGLKHVSA-N 1 0 303.362 1.867 20 5 DDBDRO CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001341974053 871925996 /nfs/dbraw/zinc/92/59/96/871925996.db2.gz JAIKNPWQTCNBNV-FQUUOJAGSA-N 1 0 303.362 1.940 20 5 DDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+](CCOC)C1 ZINC001318598011 872161717 /nfs/dbraw/zinc/16/17/17/872161717.db2.gz AUEOLIXDWKGMKM-NSHDSACASA-N 1 0 322.365 1.087 20 5 DDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001318620817 872172440 /nfs/dbraw/zinc/17/24/40/872172440.db2.gz ONLWQHOXZZFHQX-NSHDSACASA-N 1 0 318.377 1.851 20 5 DDBDRO COc1c(O)ccc(CN2CCC[C@@](C)(CO)C2)c1[N+](=O)[O-] ZINC001342848864 872412244 /nfs/dbraw/zinc/41/22/44/872412244.db2.gz ZAXKVEQDPTVJQU-OAHLLOKOSA-N 1 0 310.350 1.903 20 5 DDBDRO C[NH+]1CCC2(CC[C@H](COc3ncc([N+](=O)[O-])cn3)O2)CC1 ZINC001226730925 882615455 /nfs/dbraw/zinc/61/54/55/882615455.db2.gz JKHPJEXUAPQPGO-GFCCVEGCSA-N 1 0 308.338 1.407 20 5 DDBDRO CCc1ccc(C(=O)N2CC[NH2+]C[C@H]2CCOC)cc1[N+](=O)[O-] ZINC001343106877 872503886 /nfs/dbraw/zinc/50/38/86/872503886.db2.gz YWSNVUKQAIFLNM-CQSZACIVSA-N 1 0 321.377 1.608 20 5 DDBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001345049325 873237593 /nfs/dbraw/zinc/23/75/93/873237593.db2.gz SVSQDWBIENCESY-QWHCGFSZSA-N 1 0 318.377 1.465 20 5 DDBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N[C@@H]1C[NH+]2CCC1CC2 ZINC001347226744 874064672 /nfs/dbraw/zinc/06/46/72/874064672.db2.gz GWUCUVWFIPNNMV-CQSZACIVSA-N 1 0 318.377 1.607 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@](O)(C[NH+](C)C)C2)c1 ZINC001347430571 874138141 /nfs/dbraw/zinc/13/81/41/874138141.db2.gz YYCTZIVUBISXDS-HNNXBMFYSA-N 1 0 307.350 1.042 20 5 DDBDRO Cc1cncc([N+](=O)[O-])c1NC(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC001216480419 876955916 /nfs/dbraw/zinc/95/59/16/876955916.db2.gz OOXXHZJHZFUMOH-JQWIXIFHSA-N 1 0 319.365 1.324 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)NC[C@H]1C[NH+]2CCC1CC2 ZINC001472232345 877731249 /nfs/dbraw/zinc/73/12/49/877731249.db2.gz LWAIDLULYLBSID-ZDUSSCGKSA-N 1 0 319.361 1.432 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)OCc1noc(-c2ccccc2)n1 ZINC001223094036 880827647 /nfs/dbraw/zinc/82/76/47/880827647.db2.gz VPOLIZUYRBIAON-CYBMUJFWSA-N 1 0 320.369 1.237 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])ccc1CO[C@H](C)C[N+](C)(C)C ZINC001223448683 880965922 /nfs/dbraw/zinc/96/59/22/880965922.db2.gz QALJHWDFIYZKFX-LLVKDONJSA-N 1 0 311.358 1.993 20 5 DDBDRO COC(=O)c1cc(CO[C@@H](C)C[N+](C)(C)C)cc(C(=O)OC)c1 ZINC001224108932 881220511 /nfs/dbraw/zinc/22/05/11/881220511.db2.gz GJJWYPMQJYHSQX-LBPRGKRZSA-N 1 0 324.397 1.871 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc2c(=O)ccoc2c1 ZINC001227756641 883159943 /nfs/dbraw/zinc/15/99/43/883159943.db2.gz CMKPACWTOCZACD-LLVKDONJSA-N 1 0 306.338 1.156 20 5 DDBDRO O=c1[nH]nc(O[C@H]2C[NH+]3CCC2CC3)c2cc([N+](=O)[O-])ccc12 ZINC001229363612 883943711 /nfs/dbraw/zinc/94/37/11/883943711.db2.gz DMQSYSLWRKSLHO-ZDUSSCGKSA-N 1 0 316.317 1.717 20 5 DDBDRO O[C@@H]1COCC[N@H+](Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001232218731 886165402 /nfs/dbraw/zinc/16/54/02/886165402.db2.gz LCVIJHJRZGHYCO-INIZCTEOSA-N 1 0 309.369 1.976 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc2ncc(F)cc2n1 ZINC001233735262 887265338 /nfs/dbraw/zinc/26/53/38/887265338.db2.gz NROONSIEJNQTGV-LLVKDONJSA-N 1 0 308.333 1.132 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1nc2cccc3c2n1CCC3 ZINC001233798708 887334563 /nfs/dbraw/zinc/33/45/63/887334563.db2.gz FZXMFXJPXGCHKG-CYBMUJFWSA-N 1 0 318.397 1.345 20 5 DDBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(O[C@H](C)C[N+](C)(C)C)n1 ZINC001234917679 888247872 /nfs/dbraw/zinc/24/78/72/888247872.db2.gz RYKBVUOUEJVEAU-MRVPVSSYSA-O 1 0 312.350 1.125 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2C[C@H]3C[NH2+]C[C@@H]32)c1F ZINC001246916625 892985691 /nfs/dbraw/zinc/98/56/91/892985691.db2.gz JABNKXYMNQDGAB-CWSCBRNRSA-N 1 0 309.341 1.577 20 5 DDBDRO O=C1CC[C@H](C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)N1 ZINC001254465945 896453119 /nfs/dbraw/zinc/45/31/19/896453119.db2.gz QINMYZKIZXADAA-CYBMUJFWSA-N 1 0 318.377 1.432 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCc1c[nH][nH]c1=O ZINC001254536839 896491106 /nfs/dbraw/zinc/49/11/06/896491106.db2.gz UJTZEQDTZJSTBG-YPMHNXCESA-N 1 0 304.350 1.627 20 5 DDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cncc(C(N)=O)c1 ZINC001254547652 896496886 /nfs/dbraw/zinc/49/68/86/896496886.db2.gz DFGNHWCZNMLXRB-NSHDSACASA-N 1 0 314.345 1.810 20 5 DDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H]2CN(C)C(=O)[C@H]2C1 ZINC001254555437 896498886 /nfs/dbraw/zinc/49/88/86/896498886.db2.gz GMBJSQBYJSLDDZ-YUTCNCBUSA-N 1 0 303.362 1.546 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@@H]1COCCC13OCCO3)C2 ZINC001254576201 896510564 /nfs/dbraw/zinc/51/05/64/896510564.db2.gz VBMAOHJQUJCVLB-UKRRQHHQSA-N 1 0 320.345 1.184 20 5 DDBDRO CNC(=O)N1CCC([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254584018 896515891 /nfs/dbraw/zinc/51/58/91/896515891.db2.gz FSRAADKIMDUWSX-CQSZACIVSA-N 1 0 318.377 1.455 20 5 DDBDRO CN1C[C@@H]2C[N@@H+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C[C@@H]2C1=O ZINC001254595039 896521219 /nfs/dbraw/zinc/52/12/19/896521219.db2.gz HZXQIRKJVXYYCC-SNPRPXQTSA-N 1 0 301.346 1.082 20 5 DDBDRO COc1cc(N2CCC([NH2+]C3CC(O)C3)CC2)ccc1[N+](=O)[O-] ZINC001256084198 897277305 /nfs/dbraw/zinc/27/73/05/897277305.db2.gz VWMWXIQJTIQSAV-UHFFFAOYSA-N 1 0 321.377 1.685 20 5 DDBDRO COc1cc(N2CCC([NH2+]C(C)(C)CO)CC2)ccc1[N+](=O)[O-] ZINC001256083449 897277498 /nfs/dbraw/zinc/27/74/98/897277498.db2.gz VHZMYIDLLAAVMA-UHFFFAOYSA-N 1 0 323.393 1.933 20 5 DDBDRO O=C(NCC1CC[NH2+]CC1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001261376607 899523784 /nfs/dbraw/zinc/52/37/84/899523784.db2.gz UCWNIZXOSQSJJJ-UHFFFAOYSA-N 1 0 304.350 1.620 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[C@H]3C[N@@H+](C)C[C@@H]32)c1 ZINC001262826140 900387374 /nfs/dbraw/zinc/38/73/74/900387374.db2.gz CTNNKWSMTICKHI-FPMFFAJLSA-N 1 0 303.362 1.973 20 5 DDBDRO CCc1n[nH]c(C(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000278364817 214119713 /nfs/dbraw/zinc/11/97/13/214119713.db2.gz HUTNRHDWPRLVOG-JTQLQIEISA-N 1 0 323.397 1.683 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000449641215 230624902 /nfs/dbraw/zinc/62/49/02/230624902.db2.gz UQERCEZBMPLSCI-MNOVXSKESA-N 1 0 307.350 1.851 20 5 DDBDRO CC[C@H](CO)[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000295600024 529382035 /nfs/dbraw/zinc/38/20/35/529382035.db2.gz CFWJYJJAUYDOOA-GFCCVEGCSA-N 1 0 309.366 1.935 20 5 DDBDRO C[C@H](C(=O)NC(N)=O)[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451543174 231122007 /nfs/dbraw/zinc/12/20/07/231122007.db2.gz BDKDARNXQCSYSH-ZYHUDNBSSA-N 1 0 320.349 1.358 20 5 DDBDRO C[NH+](C)CC1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000317228886 231159181 /nfs/dbraw/zinc/15/91/81/231159181.db2.gz GZABPSPPWJTGAD-UHFFFAOYSA-N 1 0 306.366 1.591 20 5 DDBDRO CCc1n[nH]c(C(=O)N(C)[C@H]2C[NH+]3CCC2CC3)c1[N+](=O)[O-] ZINC000444257504 529464956 /nfs/dbraw/zinc/46/49/56/529464956.db2.gz DKKHMQNZYACXJE-NSHDSACASA-N 1 0 307.354 1.047 20 5 DDBDRO CC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccccn1 ZINC000090552230 185302683 /nfs/dbraw/zinc/30/26/83/185302683.db2.gz CAFBBDYGDQQAGF-UHFFFAOYSA-N 1 0 302.334 1.674 20 5 DDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H](C1CC1)[NH+](C)C ZINC000301989610 529932997 /nfs/dbraw/zinc/93/29/97/529932997.db2.gz OMWGLKLEWJJZPY-CQSZACIVSA-N 1 0 306.366 1.707 20 5 DDBDRO COc1cc(C[NH2+]CCN2CCCC2=O)c([N+](=O)[O-])cc1O ZINC000579251042 422736118 /nfs/dbraw/zinc/73/61/18/422736118.db2.gz VQYVTPAOYQZQEZ-UHFFFAOYSA-N 1 0 309.322 1.021 20 5 DDBDRO C[NH+]1CCC(C)(CNC(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000318776860 530048210 /nfs/dbraw/zinc/04/82/10/530048210.db2.gz XBTKFDVUZZIJKK-UHFFFAOYSA-N 1 0 307.354 1.034 20 5 DDBDRO C[N@@H+]1CCC[C@@H](CCNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C1 ZINC000412411333 530054876 /nfs/dbraw/zinc/05/48/76/530054876.db2.gz AVJCAKDQBNOHEC-JTQLQIEISA-N 1 0 308.338 1.157 20 5 DDBDRO CN1CC[NH+](CCC(C)(C)Nc2ccc([N+](=O)[O-])cn2)CC1 ZINC000302241835 530072009 /nfs/dbraw/zinc/07/20/09/530072009.db2.gz ITALNBXVHNZBDK-UHFFFAOYSA-N 1 0 307.398 1.818 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000330909830 232155079 /nfs/dbraw/zinc/15/50/79/232155079.db2.gz PCAOEXHMXVKKFG-CMPLNLGQSA-N 1 0 309.370 1.089 20 5 DDBDRO C[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C[C@H]1CCCOC1 ZINC000181862106 199364613 /nfs/dbraw/zinc/36/46/13/199364613.db2.gz PTSJNEOHNTWFTD-KGLIPLIRSA-N 1 0 324.377 1.693 20 5 DDBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000119414166 185741034 /nfs/dbraw/zinc/74/10/34/185741034.db2.gz NZJZCCLVOOQJKR-LBPRGKRZSA-N 1 0 320.393 1.885 20 5 DDBDRO COC(=O)COc1ccc(C[NH2+]C[C@H]2C[C@H]2C)cc1[N+](=O)[O-] ZINC000353782939 290831985 /nfs/dbraw/zinc/83/19/85/290831985.db2.gz WHGHFZINIZZBCZ-ZYHUDNBSSA-N 1 0 308.334 1.892 20 5 DDBDRO COc1ccc(OCC[N@@H+]2C[C@H](O)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000279910130 215229435 /nfs/dbraw/zinc/22/94/35/215229435.db2.gz VQQBOZAYCXDVCC-AWEZNQCLSA-N 1 0 310.350 1.685 20 5 DDBDRO COCC1CC[NH+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000181875350 186213681 /nfs/dbraw/zinc/21/36/81/186213681.db2.gz YECSXHSDGRRRLQ-AWEZNQCLSA-N 1 0 324.377 1.693 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)NC1CC[NH+](C2CC2)CC1 ZINC000022498408 352177936 /nfs/dbraw/zinc/17/79/36/352177936.db2.gz MPVBCXKDWHNKLE-UHFFFAOYSA-N 1 0 319.361 1.717 20 5 DDBDRO C[N@@H+]1CCC[C@H](NC(=O)NCCNc2ccccc2[N+](=O)[O-])C1 ZINC000052502283 352613284 /nfs/dbraw/zinc/61/32/84/352613284.db2.gz HOTCTJGMJXNREZ-LBPRGKRZSA-N 1 0 321.381 1.400 20 5 DDBDRO CN(CC(=O)N1CC[C@@H]([NH+](C)C)C1)c1ccccc1[N+](=O)[O-] ZINC000173046010 198180414 /nfs/dbraw/zinc/18/04/14/198180414.db2.gz PCOLUSNFMZKKCB-GFCCVEGCSA-N 1 0 306.366 1.194 20 5 DDBDRO C[C@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC000173145224 198188654 /nfs/dbraw/zinc/18/86/54/198188654.db2.gz HPOHLJHUCGLPFR-CYBMUJFWSA-N 1 0 305.378 1.985 20 5 DDBDRO C[N@H+](CCNC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000058858850 352855155 /nfs/dbraw/zinc/85/51/55/352855155.db2.gz XVLHTLVXVZNNQQ-XVNBXDOJSA-N 1 0 307.325 1.958 20 5 DDBDRO CCS(=O)(=O)NCCC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173366157 198207812 /nfs/dbraw/zinc/20/78/12/198207812.db2.gz OIHMBNRYOLKMBC-LLVKDONJSA-N 1 0 315.395 1.575 20 5 DDBDRO CC[N@@H+]1CCC[C@H]1CNc1ccc(C(=O)NC)cc1[N+](=O)[O-] ZINC000064904662 352945705 /nfs/dbraw/zinc/94/57/05/352945705.db2.gz CIIUEEGVYWLMNF-LBPRGKRZSA-N 1 0 306.366 1.851 20 5 DDBDRO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1C[C@@H]1[N+](=O)[O-] ZINC000067837655 353070095 /nfs/dbraw/zinc/07/00/95/353070095.db2.gz SONSJJQFVUKQLN-CVEARBPZSA-N 1 0 317.389 1.680 20 5 DDBDRO CC[N@@H+]1CCCC[C@@H]1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000068520254 353116562 /nfs/dbraw/zinc/11/65/62/353116562.db2.gz BYDSONUEWRBGFN-OAHLLOKOSA-N 1 0 321.377 1.964 20 5 DDBDRO CNc1ccc(C(=O)NCCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000072785795 353214915 /nfs/dbraw/zinc/21/49/15/353214915.db2.gz XBIFGCZXQHMQJL-UHFFFAOYSA-N 1 0 306.366 1.852 20 5 DDBDRO CC[NH+](CC)[C@H]1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000174175813 198301593 /nfs/dbraw/zinc/30/15/93/198301593.db2.gz NAJCJXRJNNSCRY-AWEZNQCLSA-N 1 0 321.377 1.916 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)[C@H]1CC[NH2+]C1 ZINC000564988079 304033317 /nfs/dbraw/zinc/03/33/17/304033317.db2.gz CWJUVHRLJFZCSD-LBPRGKRZSA-N 1 0 322.365 1.226 20 5 DDBDRO COCCC[N@H+](C)CCNC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000174473533 198338190 /nfs/dbraw/zinc/33/81/90/198338190.db2.gz NLJIGWMMUFJNPY-UHFFFAOYSA-N 1 0 324.381 1.993 20 5 DDBDRO O=C(c1cccc([N+](=O)[O-])c1)N1CCC[C@@H]1CN1CCOCC1 ZINC000174484601 198340749 /nfs/dbraw/zinc/34/07/49/198340749.db2.gz ACCFFQUURXQCMZ-OAHLLOKOSA-N 1 0 319.361 1.532 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCc3sccc3C2)c1 ZINC000174702852 198372393 /nfs/dbraw/zinc/37/23/93/198372393.db2.gz YROZFZDNIGTNTC-GFCCVEGCSA-N 1 0 308.363 1.272 20 5 DDBDRO O=[N+]([O-])c1cc(F)ccc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000078404166 353515280 /nfs/dbraw/zinc/51/52/80/353515280.db2.gz DKAABNREMSEBPA-GFCCVEGCSA-N 1 0 309.341 1.892 20 5 DDBDRO Cc1cnc(NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c([N+](=O)[O-])c1 ZINC000078657974 353526915 /nfs/dbraw/zinc/52/69/15/353526915.db2.gz USRGDATWKUFQML-GFCCVEGCSA-N 1 0 321.381 1.298 20 5 DDBDRO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1cn[nH]c1 ZINC000085825089 353736728 /nfs/dbraw/zinc/73/67/28/353736728.db2.gz KRAZGOYNMCAURI-UHFFFAOYSA-N 1 0 303.322 1.779 20 5 DDBDRO O=[N+]([O-])c1cnn(CCN2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000151346895 354182678 /nfs/dbraw/zinc/18/26/78/354182678.db2.gz PWBRDJYSTCHSNV-UHFFFAOYSA-N 1 0 302.338 1.009 20 5 DDBDRO CCOc1ccc(C(=O)N2CC[C@H]([NH3+])C[C@@H]2C)cc1[N+](=O)[O-] ZINC000154219128 354204751 /nfs/dbraw/zinc/20/47/51/354204751.db2.gz AIBZMWGWIDBMCF-JQWIXIFHSA-N 1 0 307.350 1.945 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c2ncccc12 ZINC000405237176 354678034 /nfs/dbraw/zinc/67/80/34/354678034.db2.gz UDFMHBYJNXBSHI-NWDGAFQWSA-N 1 0 314.345 1.398 20 5 DDBDRO CCO[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2C)C[C@H]1C[NH3+] ZINC000405327563 354678846 /nfs/dbraw/zinc/67/88/46/354678846.db2.gz DJVVWTJMHKMMJR-BXUZGUMPSA-N 1 0 307.350 1.339 20 5 DDBDRO CCOc1cccc(N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c1[N+](=O)[O-] ZINC000405639076 354679502 /nfs/dbraw/zinc/67/95/02/354679502.db2.gz CDKWEEBJXMSMRV-NWDGAFQWSA-N 1 0 307.350 1.249 20 5 DDBDRO O=C(/C=C/c1cccc([N+](=O)[O-])c1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000493617472 234879745 /nfs/dbraw/zinc/87/97/45/234879745.db2.gz AXQFRQNDUSZPHG-NFBGWVBBSA-N 1 0 301.346 1.961 20 5 DDBDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000493751132 234921718 /nfs/dbraw/zinc/92/17/18/234921718.db2.gz IRJPGJSTLMPMPI-ZSZRGSJWSA-N 1 0 307.325 1.943 20 5 DDBDRO COc1cccc(N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)c1[N+](=O)[O-] ZINC000585781964 354841279 /nfs/dbraw/zinc/84/12/79/354841279.db2.gz GTKLYKWYLNOSMY-STQMWFEESA-N 1 0 307.350 1.513 20 5 DDBDRO Cc1ccc(C(=O)N2CC[C@H]([N@@H+]3CC[C@H](O)C3)C2)cc1[N+](=O)[O-] ZINC000588864062 354944573 /nfs/dbraw/zinc/94/45/73/354944573.db2.gz ZWTFBWLLUHNZFK-KBPBESRZSA-N 1 0 319.361 1.184 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)N2CCC3(C[NH+](C)C3)C2)c1[N+](=O)[O-] ZINC000590335538 355073484 /nfs/dbraw/zinc/07/34/84/355073484.db2.gz LYXASCOTJWMZKS-UHFFFAOYSA-N 1 0 307.354 1.219 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC2(C1)CC[NH+](C)CC2 ZINC000590376053 355078241 /nfs/dbraw/zinc/07/82/41/355078241.db2.gz SXQPSNCGHYTQFV-UHFFFAOYSA-N 1 0 318.377 1.856 20 5 DDBDRO CCCc1n[nH]c(C(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)c1[N+](=O)[O-] ZINC000590442878 355096454 /nfs/dbraw/zinc/09/64/54/355096454.db2.gz HRYNJIYFQBPIJK-GXSJLCMTSA-N 1 0 307.354 1.047 20 5 DDBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+][C@H]1CCC[C@H]1CO)OCCO2 ZINC000590662563 355139636 /nfs/dbraw/zinc/13/96/36/355139636.db2.gz JVZOUFMFNIQTRK-JQWIXIFHSA-N 1 0 308.334 1.617 20 5 DDBDRO O=[N+]([O-])c1ccc(OCCC[NH2+][C@H](CO)[C@H]2CCCOC2)cc1 ZINC000591048598 355238860 /nfs/dbraw/zinc/23/88/60/355238860.db2.gz GFTJVVGJFYSJHW-XJKSGUPXSA-N 1 0 324.377 1.741 20 5 DDBDRO COc1ccc(CNC(=O)NC[C@H]2CCCC[NH2+]2)cc1[N+](=O)[O-] ZINC000591346345 355294214 /nfs/dbraw/zinc/29/42/14/355294214.db2.gz RWTUOKQLNMHIEZ-GFCCVEGCSA-N 1 0 322.365 1.545 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@H]3CC[NH2+][C@H]3C2)c1 ZINC000591438542 355311111 /nfs/dbraw/zinc/31/11/11/355311111.db2.gz MZAXZQIJROEGEB-PWSUYJOCSA-N 1 0 305.334 1.570 20 5 DDBDRO O=C(CCN1CC[C@H]2CC[NH2+][C@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000591448649 355313781 /nfs/dbraw/zinc/31/37/81/355313781.db2.gz LPSOTZJENGHOGS-DOMZBBRYSA-N 1 0 318.377 1.607 20 5 DDBDRO COc1ccc(NC(=O)[C@H]2C[NH2+]CCC2(F)F)cc1[N+](=O)[O-] ZINC000591686574 355362538 /nfs/dbraw/zinc/36/25/38/355362538.db2.gz ZUTGRJXDMFYQQB-SECBINFHSA-N 1 0 315.276 1.787 20 5 DDBDRO CC1(C)C[NH2+][C@H]1C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000592144794 355511082 /nfs/dbraw/zinc/51/10/82/355511082.db2.gz IXTKPTLXCYDJJQ-GWCFXTLKSA-N 1 0 319.365 1.001 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC(C)([NH3+])CC1 ZINC000592484953 355596413 /nfs/dbraw/zinc/59/64/13/355596413.db2.gz KNZROYWMXCSQHW-UHFFFAOYSA-N 1 0 306.366 1.655 20 5 DDBDRO COC(=O)[C@@H]1C[C@H](O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000592530720 355616288 /nfs/dbraw/zinc/61/62/88/355616288.db2.gz GILQIQUMOGUKBD-OCCSQVGLSA-N 1 0 308.334 1.259 20 5 DDBDRO C[C@H]1C[C@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CO1 ZINC000592367319 355568476 /nfs/dbraw/zinc/56/84/76/355568476.db2.gz PJWLRASPAZFUBL-QWRGUYRKSA-N 1 0 314.363 1.136 20 5 DDBDRO COc1ccc(C[NH2+]CC(C)(C)[C@]2(O)CCOC2)cc1[N+](=O)[O-] ZINC000592374773 355569437 /nfs/dbraw/zinc/56/94/37/355569437.db2.gz IPPUBAUNJSAOPF-INIZCTEOSA-N 1 0 324.377 1.871 20 5 DDBDRO CNc1ccc(C(=O)N[C@@H]2[C@H](C)CC[NH2+][C@@H]2C)cc1[N+](=O)[O-] ZINC000592546555 355623256 /nfs/dbraw/zinc/62/32/56/355623256.db2.gz BCHIMTSJZDLRGV-GPCCPHFNSA-N 1 0 306.366 1.753 20 5 DDBDRO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592555261 355627114 /nfs/dbraw/zinc/62/71/14/355627114.db2.gz SSNSHZXMNXQEEY-NEPJUHHUSA-N 1 0 306.366 1.775 20 5 DDBDRO Cn1c(C(=O)N2CCc3ccccc3[C@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000592566944 355631233 /nfs/dbraw/zinc/63/12/33/355631233.db2.gz FHTFARRMGOGJOJ-CQSZACIVSA-N 1 0 314.345 1.632 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@H](C)CCO ZINC000593107071 355800067 /nfs/dbraw/zinc/80/00/67/355800067.db2.gz GILDHKCGXAPKOF-GFCCVEGCSA-N 1 0 309.366 1.935 20 5 DDBDRO CCCc1n[nH]c(C(=O)N(C)CC[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000593884102 356041062 /nfs/dbraw/zinc/04/10/62/356041062.db2.gz QWVRRUINUNQXOK-UHFFFAOYSA-N 1 0 323.397 1.828 20 5 DDBDRO C[NH+](C)CC[C@@H](N)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000593904554 356050890 /nfs/dbraw/zinc/05/08/90/356050890.db2.gz YXARCHGZGJUBAM-OAHLLOKOSA-N 1 0 322.409 1.313 20 5 DDBDRO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)CNc1ccccc1[N+](=O)[O-])C2 ZINC000593914821 356057426 /nfs/dbraw/zinc/05/74/26/356057426.db2.gz NJNVSEQMHODRCA-LRDDRELGSA-N 1 0 318.377 1.594 20 5 DDBDRO CNc1ccc(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000594404071 356199017 /nfs/dbraw/zinc/19/90/17/356199017.db2.gz QYOFZWCSXJKUKR-KLPPZKSPSA-N 1 0 306.366 1.707 20 5 DDBDRO COc1c(C)cccc1C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000594576845 356254229 /nfs/dbraw/zinc/25/42/29/356254229.db2.gz BJEFOXIOABCHOY-AWEZNQCLSA-N 1 0 320.349 1.259 20 5 DDBDRO C[C@H]1CC(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H](C)C1 ZINC000594716226 356294767 /nfs/dbraw/zinc/29/47/67/356294767.db2.gz MLMJGFWHHIAGSK-LALPHHSUSA-N 1 0 310.398 1.814 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@H](O)C[NH+]1CCCC1 ZINC000595018592 356372924 /nfs/dbraw/zinc/37/29/24/356372924.db2.gz SPZVLFOCFVUDGY-JSGCOSHPSA-N 1 0 323.393 1.711 20 5 DDBDRO COC(=O)CC(C)(C)C[C@H](C)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000595021815 356373913 /nfs/dbraw/zinc/37/39/13/356373913.db2.gz GECOMBAGPTWUJX-NSHDSACASA-N 1 0 312.370 1.749 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCCn1ccnn1 ZINC000595034345 356375191 /nfs/dbraw/zinc/37/51/91/356375191.db2.gz VQJGAIDVEHZDIQ-NSHDSACASA-N 1 0 305.338 1.936 20 5 DDBDRO O=C(CN1CCC[C@@H]2C[NH2+]CC[C@@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000601335151 358503707 /nfs/dbraw/zinc/50/37/07/358503707.db2.gz QUBYAVDPDLNQLI-OCCSQVGLSA-N 1 0 318.377 1.607 20 5 DDBDRO [NH3+]C1(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC2(CCC2)C1 ZINC000595252408 356418589 /nfs/dbraw/zinc/41/85/89/356418589.db2.gz HHBZVRXMRFBGOS-UHFFFAOYSA-N 1 0 319.361 1.751 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000595258922 356423085 /nfs/dbraw/zinc/42/30/85/356423085.db2.gz WKRONQXGQZRRAP-DGCLKSJQSA-N 1 0 323.397 1.466 20 5 DDBDRO O=[N+]([O-])c1cc(F)ccc1CN1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000595328537 356450789 /nfs/dbraw/zinc/45/07/89/356450789.db2.gz WMNDGZHOEHCGJF-ZDUSSCGKSA-N 1 0 323.368 1.888 20 5 DDBDRO Cc1noc(CN2CC[NH+](C[C@@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000595337163 356454138 /nfs/dbraw/zinc/45/41/38/356454138.db2.gz UXWAZEORIPUWJC-LBPRGKRZSA-N 1 0 310.354 1.045 20 5 DDBDRO CCN1CC[C@H]([NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1=O ZINC000595484399 356512567 /nfs/dbraw/zinc/51/25/67/356512567.db2.gz ZTRPCCZFUUWCTR-LBPRGKRZSA-N 1 0 307.354 1.049 20 5 DDBDRO CCC[N@@H+]1CC[C@@H](NC(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000595470278 356506091 /nfs/dbraw/zinc/50/60/91/356506091.db2.gz SWJNAMGGXBDCDT-CQSZACIVSA-N 1 0 320.393 1.921 20 5 DDBDRO COc1ccc(C[N@@H+]2CC[C@@H]3NC(=O)CC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000595744272 356632549 /nfs/dbraw/zinc/63/25/49/356632549.db2.gz VHQBGQPZIFARMN-OLZOCXBDSA-N 1 0 319.361 1.704 20 5 DDBDRO C[N@@H+](CC1=CCCOC1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000595753718 356637315 /nfs/dbraw/zinc/63/73/15/356637315.db2.gz SSAOVNHCALRLBL-OAHLLOKOSA-N 1 0 322.361 1.613 20 5 DDBDRO C[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCC(F)CC1 ZINC000595821226 356663563 /nfs/dbraw/zinc/66/35/63/356663563.db2.gz XTOHHAIDXKMSMQ-DLOFLVKXSA-N 1 0 314.361 1.659 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H]2C[C@H](O)C23CCC3)c1 ZINC000595785035 356651446 /nfs/dbraw/zinc/65/14/46/356651446.db2.gz VVVUHBVZNJFYME-KGLIPLIRSA-N 1 0 320.345 1.775 20 5 DDBDRO COCC[N@@H+]1CCC[C@H](Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596117156 356779412 /nfs/dbraw/zinc/77/94/12/356779412.db2.gz XDESJUKSJYHIHW-LBPRGKRZSA-N 1 0 322.365 1.216 20 5 DDBDRO C[C@@H]1CCCC[N@@H+]1CCNc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596076200 356763485 /nfs/dbraw/zinc/76/34/85/356763485.db2.gz MVNMVAAVWOYGEN-LLVKDONJSA-N 1 0 306.366 1.980 20 5 DDBDRO O=c1[nH]ccc(N2CCC([N@@H+]3CCCOCC3)CC2)c1[N+](=O)[O-] ZINC000596268966 356838638 /nfs/dbraw/zinc/83/86/38/356838638.db2.gz OQCJTGVYSBKKKL-UHFFFAOYSA-N 1 0 322.365 1.387 20 5 DDBDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000596309344 356853334 /nfs/dbraw/zinc/85/33/34/356853334.db2.gz ZEVKPZNTHLNVTE-LLVKDONJSA-N 1 0 306.366 1.978 20 5 DDBDRO Cc1cc(N2CCO[C@H](CCC[NH+](C)C)C2)ncc1[N+](=O)[O-] ZINC000596567793 356919390 /nfs/dbraw/zinc/91/93/90/356919390.db2.gz PGHPUBIRXKVKDI-CYBMUJFWSA-N 1 0 308.382 1.845 20 5 DDBDRO COc1cc(C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)ccc1[N+](=O)[O-] ZINC000237240352 202202432 /nfs/dbraw/zinc/20/24/32/202202432.db2.gz RQYOXQGHXAQJIZ-JQWIXIFHSA-N 1 0 307.350 1.803 20 5 DDBDRO COC(=O)c1oc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)cc1C ZINC000597062198 357051791 /nfs/dbraw/zinc/05/17/91/357051791.db2.gz FUKNQGKOEFAQFZ-UHFFFAOYSA-N 1 0 308.294 1.269 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1CN1CCN([C@H]2CCOC2)CC1 ZINC000597202565 357091224 /nfs/dbraw/zinc/09/12/24/357091224.db2.gz FIMXWALZITXXGG-INIZCTEOSA-N 1 0 305.378 1.810 20 5 DDBDRO COc1cccc(C(=O)N2CC[C@H]([NH+](C)C)[C@H]2C)c1[N+](=O)[O-] ZINC000597696102 357289163 /nfs/dbraw/zinc/28/91/63/357289163.db2.gz BKTOYEYSUOOUGS-PWSUYJOCSA-N 1 0 307.350 1.768 20 5 DDBDRO COc1cc(C(=O)N2CC(C[NH+](C)C)C2)c([N+](=O)[O-])cc1OC ZINC000597708486 357295672 /nfs/dbraw/zinc/29/56/72/357295672.db2.gz MHVXDAUSHGISRZ-UHFFFAOYSA-N 1 0 323.349 1.246 20 5 DDBDRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000597924424 357384027 /nfs/dbraw/zinc/38/40/27/357384027.db2.gz REYRUZZVKXTJLI-SNVBAGLBSA-N 1 0 306.366 1.780 20 5 DDBDRO COC(=O)c1cc(C(=O)NCC[C@H](C)[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000597995356 357411063 /nfs/dbraw/zinc/41/10/63/357411063.db2.gz FEXQKFMGJVSGMA-JTQLQIEISA-N 1 0 323.349 1.451 20 5 DDBDRO CCN(C(=O)c1c([N+](=O)[O-])c(C)nn1C)[C@H]1CC[N@H+](CC)C1 ZINC000598041822 357439796 /nfs/dbraw/zinc/43/97/96/357439796.db2.gz NKCTVYMJVXRVRV-NSHDSACASA-N 1 0 309.370 1.193 20 5 DDBDRO [NH3+][C@@]12CCC[C@H]1CN(C(=O)c1n[nH]c3ccc([N+](=O)[O-])cc31)C2 ZINC000598668052 357678255 /nfs/dbraw/zinc/67/82/55/357678255.db2.gz OOELQRKTFWLWFA-BJOHPYRUSA-N 1 0 315.333 1.425 20 5 DDBDRO COC(=O)c1ccnc(N2CC[C@@]3(CC[N@H+](C)C3)C2)c1[N+](=O)[O-] ZINC000598627426 357660767 /nfs/dbraw/zinc/66/07/67/357660767.db2.gz PYRKGRUNHCLYLY-OAHLLOKOSA-N 1 0 320.349 1.308 20 5 DDBDRO C[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@H]1CO ZINC000598645103 357667922 /nfs/dbraw/zinc/66/79/22/357667922.db2.gz DOKXKCKRNLTKSL-FZMZJTMJSA-N 1 0 322.361 1.912 20 5 DDBDRO COc1cc(C(=O)N2CC[NH2+][C@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000598577021 357638876 /nfs/dbraw/zinc/63/88/76/357638876.db2.gz ZVMJBXAMVXXLRF-LBPRGKRZSA-N 1 0 307.350 1.673 20 5 DDBDRO Cc1ccc(S(=O)(=O)N[C@H](C)C[C@@H](C)[NH3+])c(C)c1[N+](=O)[O-] ZINC000598714703 357701019 /nfs/dbraw/zinc/70/10/19/357701019.db2.gz JAEIHTSEUTXNLN-NXEZZACHSA-N 1 0 315.395 1.616 20 5 DDBDRO Cc1ccc(S(=O)(=O)N(C)[C@@H]2CC[NH2+]C2)c(C)c1[N+](=O)[O-] ZINC000598716595 357701919 /nfs/dbraw/zinc/70/19/19/357701919.db2.gz PDUBHBFZYQYUTH-LLVKDONJSA-N 1 0 313.379 1.194 20 5 DDBDRO Cc1cc(S(=O)(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)ccc1[N+](=O)[O-] ZINC000599104709 357816898 /nfs/dbraw/zinc/81/68/98/357816898.db2.gz NGERHEPGNKJMEO-MNOVXSKESA-N 1 0 313.379 1.322 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H](O)[C@H]1CCCO1 ZINC000598990200 357785742 /nfs/dbraw/zinc/78/57/42/357785742.db2.gz KEIIUBVFGNENQE-UKRRQHHQSA-N 1 0 310.350 1.623 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000599591492 357984967 /nfs/dbraw/zinc/98/49/67/357984967.db2.gz UXEFSSXJIUOANJ-NXEZZACHSA-N 1 0 308.338 1.865 20 5 DDBDRO Cc1nn(C)c(C(=O)Nc2cc(C[NH+](C)C)ccn2)c1[N+](=O)[O-] ZINC000347978991 283314924 /nfs/dbraw/zinc/31/49/24/283314924.db2.gz QNVKHVKOIURAME-UHFFFAOYSA-N 1 0 318.337 1.346 20 5 DDBDRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000599925632 358082768 /nfs/dbraw/zinc/08/27/68/358082768.db2.gz SRTULYYFCHGSRY-GXFFZTMASA-N 1 0 308.338 1.023 20 5 DDBDRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000599933680 358084463 /nfs/dbraw/zinc/08/44/63/358084463.db2.gz IDBODYWXWOTYCT-UONOGXRCSA-N 1 0 320.393 1.919 20 5 DDBDRO C[N@@H+]1CCCC[C@@H](CNC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000600313122 358192901 /nfs/dbraw/zinc/19/29/01/358192901.db2.gz HXEYEHYAIFVWLX-LBPRGKRZSA-N 1 0 309.370 1.030 20 5 DDBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000237356847 202242754 /nfs/dbraw/zinc/24/27/54/202242754.db2.gz SCLGTZMXRYBSAD-RNCFNFMXSA-N 1 0 309.391 1.929 20 5 DDBDRO CC(C)[C@H]1C[NH2+]CCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000600716624 358293513 /nfs/dbraw/zinc/29/35/13/358293513.db2.gz ZMDIDPFDIPWKHX-CQSZACIVSA-N 1 0 306.366 1.124 20 5 DDBDRO C[NH2+]C1(CNC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)CCC1 ZINC000600823482 358325985 /nfs/dbraw/zinc/32/59/85/358325985.db2.gz FQCBPPLFSZLXCO-UHFFFAOYSA-N 1 0 309.370 1.057 20 5 DDBDRO CC[C@@H]1[C@@H](C(=O)NCCNc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000600959675 358357320 /nfs/dbraw/zinc/35/73/20/358357320.db2.gz ZCOUENRHWQPYKH-LSDHHAIUSA-N 1 0 320.393 1.853 20 5 DDBDRO O=[N+]([O-])c1ccc2nccc(NCC[N@@H+]3CCCOCC3)c2c1 ZINC000601151176 358423372 /nfs/dbraw/zinc/42/33/72/358423372.db2.gz QSYMSBGJYKQUCB-UHFFFAOYSA-N 1 0 316.361 1.699 20 5 DDBDRO CCOc1cc(N2CCC[C@](O)(C[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000601189565 358440040 /nfs/dbraw/zinc/44/00/40/358440040.db2.gz SFFBFSGAVUHWOL-INIZCTEOSA-N 1 0 323.393 1.886 20 5 DDBDRO C[NH+](C)C1(CNS(=O)(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000601448175 358557829 /nfs/dbraw/zinc/55/78/29/358557829.db2.gz AARKENJYVFISFW-UHFFFAOYSA-N 1 0 313.379 1.108 20 5 DDBDRO C[NH+]1CCC(CCNC(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000181004338 199239593 /nfs/dbraw/zinc/23/95/93/199239593.db2.gz AFTNPCFSPVYGLQ-UHFFFAOYSA-N 1 0 306.366 1.639 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000601557333 358599900 /nfs/dbraw/zinc/59/99/00/358599900.db2.gz OEDOFPLLUMYGJV-BXUZGUMPSA-N 1 0 304.350 1.512 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000601740606 358673797 /nfs/dbraw/zinc/67/37/97/358673797.db2.gz VVPKREZFRRGNMH-UHFFFAOYSA-N 1 0 321.381 1.419 20 5 DDBDRO CCC1([NH+](C)C)CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000601791947 358697746 /nfs/dbraw/zinc/69/77/46/358697746.db2.gz RSOKGHQLOFXKKE-UHFFFAOYSA-N 1 0 322.365 1.642 20 5 DDBDRO O=C1[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CCN1C1CCC1 ZINC000601930069 358743021 /nfs/dbraw/zinc/74/30/21/358743021.db2.gz DZNHCIOXURBUGI-OAHLLOKOSA-N 1 0 303.362 1.880 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@H]([NH+](C)C)C2(C)C)n1 ZINC000602174199 358863498 /nfs/dbraw/zinc/86/34/98/358863498.db2.gz SCJIWBKMIMMLEW-QWRGUYRKSA-N 1 0 309.370 1.270 20 5 DDBDRO [NH3+][C@H]1CCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000602430074 358970614 /nfs/dbraw/zinc/97/06/14/358970614.db2.gz HWZCTMVCSRZDQG-ZETCQYMHSA-N 1 0 314.139 1.531 20 5 DDBDRO Cn1cc(CC[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)cn1 ZINC000602522167 359024234 /nfs/dbraw/zinc/02/42/34/359024234.db2.gz REZGBVBBXXNFFT-UHFFFAOYSA-N 1 0 301.306 1.802 20 5 DDBDRO COc1ccc(C(=O)N[C@H]2CC[NH2+]C23CCC3)cc1[N+](=O)[O-] ZINC000602530285 359029089 /nfs/dbraw/zinc/02/90/89/359029089.db2.gz YNVKYUOXZJJIRC-ZDUSSCGKSA-N 1 0 305.334 1.618 20 5 DDBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2COCC[NH2+]2)c1 ZINC000602549058 359039322 /nfs/dbraw/zinc/03/93/22/359039322.db2.gz BKIPVBLRPGFRNI-VIFPVBQESA-N 1 0 311.363 1.035 20 5 DDBDRO Cc1ccc(NCCCNC(=O)CCC2C[NH2+]C2)c([N+](=O)[O-])c1 ZINC000602452426 358986348 /nfs/dbraw/zinc/98/63/48/358986348.db2.gz BBQXTSQFECKQFD-UHFFFAOYSA-N 1 0 320.393 1.821 20 5 DDBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@@H]2CCCN2CCCO)cc1 ZINC000602675138 359119307 /nfs/dbraw/zinc/11/93/07/359119307.db2.gz RCZNWEDMPQSZRO-INIZCTEOSA-N 1 0 307.394 1.574 20 5 DDBDRO CC1(C)CO[C@H](C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000602766061 359175270 /nfs/dbraw/zinc/17/52/70/359175270.db2.gz KZUIKEFLBCAMJM-AWEZNQCLSA-N 1 0 320.393 1.927 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+](CCO)Cc1ccc(C)cc1 ZINC000602807999 359205544 /nfs/dbraw/zinc/20/55/44/359205544.db2.gz XTKYPGAHAJOZIT-UHFFFAOYSA-N 1 0 318.377 1.903 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H]1Cc2cccc(O)c2C1 ZINC000602824231 359218746 /nfs/dbraw/zinc/21/87/46/359218746.db2.gz YLEVJCLOUFIMTH-LBPRGKRZSA-N 1 0 302.334 1.562 20 5 DDBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000602937109 359306467 /nfs/dbraw/zinc/30/64/67/359306467.db2.gz QIGDTKNJHJIJRX-CIISACIHSA-N 1 0 317.345 1.640 20 5 DDBDRO C[NH2+]C(C)(C)c1cn(CCOc2ccccc2[N+](=O)[O-])nn1 ZINC000603202100 359476598 /nfs/dbraw/zinc/47/65/98/359476598.db2.gz UKCVUNGWZYTJSJ-UHFFFAOYSA-N 1 0 305.338 1.720 20 5 DDBDRO CCO[C@H]1C[C@@]([NH3+])(C(=O)NCc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000186716102 199996194 /nfs/dbraw/zinc/99/61/94/199996194.db2.gz DZXUCNXCRYHZGE-XJKSGUPXSA-N 1 0 321.377 1.744 20 5 DDBDRO Cc1cnc(N2CCC([N@H+]3CCOC[C@H]3C)CC2)c([N+](=O)[O-])c1 ZINC000603404408 359619513 /nfs/dbraw/zinc/61/95/13/359619513.db2.gz YFQXILZARXTVAK-CYBMUJFWSA-N 1 0 320.393 1.988 20 5 DDBDRO COc1ccc(OCC[NH2+][C@H]2C[C@H]([NH3+])C2(C)C)c([N+](=O)[O-])c1 ZINC000603430957 359634925 /nfs/dbraw/zinc/63/49/25/359634925.db2.gz DDEHABNBOZKNCT-KBPBESRZSA-N 1 0 309.366 1.698 20 5 DDBDRO Cc1ccc(NC(=O)C(=O)N[C@@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000604227455 359728460 /nfs/dbraw/zinc/72/84/60/359728460.db2.gz DPQTWYMQQVFGJN-GFCCVEGCSA-N 1 0 320.349 1.052 20 5 DDBDRO C[C@H](C[NH3+])N(C)C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000237634353 202312697 /nfs/dbraw/zinc/31/26/97/202312697.db2.gz FQCSTVWHIWOKRS-SSDOTTSWSA-N 1 0 316.155 1.777 20 5 DDBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CCc2cnccn2)n1 ZINC000358989363 299300338 /nfs/dbraw/zinc/30/03/38/299300338.db2.gz QPUJKAWHJNKVHP-KGLIPLIRSA-N 1 0 316.365 1.897 20 5 DDBDRO [NH3+]CC1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000238026640 202421897 /nfs/dbraw/zinc/42/18/97/202421897.db2.gz VIRJBZBSGGDXPV-UHFFFAOYSA-N 1 0 306.366 1.594 20 5 DDBDRO CC(C)[NH2+][C@H]1CCCN(C(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000609135772 360263688 /nfs/dbraw/zinc/26/36/88/360263688.db2.gz WEVUXVNQPNMOQK-ZDUSSCGKSA-N 1 0 321.377 1.963 20 5 DDBDRO C[N@@H+]1CCC[C@H](NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000609257575 360276889 /nfs/dbraw/zinc/27/68/89/360276889.db2.gz BRNUSBPNJJNBCF-AWEZNQCLSA-N 1 0 320.393 1.997 20 5 DDBDRO C[NH+](C)C[C@@H]1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000609619915 360336237 /nfs/dbraw/zinc/33/62/37/360336237.db2.gz KBGSUPHIJJKIBZ-LBPRGKRZSA-N 1 0 306.366 1.417 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000609564942 360325708 /nfs/dbraw/zinc/32/57/08/360325708.db2.gz RZDXQVAJEBMZCD-UHFFFAOYSA-N 1 0 324.381 1.116 20 5 DDBDRO CCCc1n[nH]c(C(=O)N[C@@H](C)C2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000609994307 360370262 /nfs/dbraw/zinc/37/02/62/360370262.db2.gz PQVALZJTPCXAML-JTQLQIEISA-N 1 0 323.397 1.731 20 5 DDBDRO C[N@@H+]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000611223064 360666866 /nfs/dbraw/zinc/66/68/66/360666866.db2.gz QFCAMVJYTOTHEO-LLVKDONJSA-N 1 0 314.345 1.967 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCC1=CC[N@H+](C)CC1 ZINC000271922730 209326103 /nfs/dbraw/zinc/32/61/03/209326103.db2.gz KOAPBCHOSPQAFV-UHFFFAOYSA-N 1 0 318.377 1.653 20 5 DDBDRO C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)[C@]1(CO)CCOC1 ZINC000613130199 361282558 /nfs/dbraw/zinc/28/25/58/361282558.db2.gz ABAPDAZDUQURPR-HNNXBMFYSA-N 1 0 310.350 1.447 20 5 DDBDRO Cc1cc(C)c(S(=O)(=O)N(C)[C@@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000193280325 201018700 /nfs/dbraw/zinc/01/87/00/201018700.db2.gz YAFHEERXRKNGPL-JTQLQIEISA-N 1 0 301.368 1.179 20 5 DDBDRO Cn1ccc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)cc1=O ZINC000619785214 364149442 /nfs/dbraw/zinc/14/94/42/364149442.db2.gz LCFRCBATPYLGPG-UHFFFAOYSA-N 1 0 301.346 1.968 20 5 DDBDRO CNC(=O)c1ccc(NCC2=CC[N@H+](C)CC2)c([N+](=O)[O-])c1 ZINC000271823367 209246319 /nfs/dbraw/zinc/24/63/19/209246319.db2.gz NQUCBOBMUHDPIB-UHFFFAOYSA-N 1 0 304.350 1.628 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2C[C@H]2c2cccc(F)c2)c1 ZINC000566109750 304118919 /nfs/dbraw/zinc/11/89/19/304118919.db2.gz UGFDVTAXDMHSFZ-QLFBSQMISA-N 1 0 320.324 1.437 20 5 DDBDRO CCC[C@@H]1C[NH2+]CCN1C(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000359224601 299363978 /nfs/dbraw/zinc/36/39/78/299363978.db2.gz LBZHOEXLLZOILN-GFCCVEGCSA-N 1 0 309.370 1.090 20 5 DDBDRO CO[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000275247717 212222997 /nfs/dbraw/zinc/22/29/97/212222997.db2.gz POHPZIQMRCCLIF-GXTWGEPZSA-N 1 0 307.350 1.741 20 5 DDBDRO C[NH+](C)C[C@H](NC(=O)c1[nH]ncc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000288187998 220006207 /nfs/dbraw/zinc/00/62/07/220006207.db2.gz NIDYBWUPSAVZGM-NSHDSACASA-N 1 0 321.312 1.490 20 5 DDBDRO COc1cc(C(=O)NCC2=CC[NH2+]CC2)cc([N+](=O)[O-])c1OC ZINC000275102692 212121861 /nfs/dbraw/zinc/12/18/61/212121861.db2.gz CENVNRHCJBBNEN-UHFFFAOYSA-N 1 0 321.333 1.262 20 5 DDBDRO CN(C(=O)Cc1cccc([N+](=O)[O-])c1)[C@@H]1C[NH+]2CCC1CC2 ZINC000359295909 299401373 /nfs/dbraw/zinc/40/13/73/299401373.db2.gz IDGCSBVEECPMHD-OAHLLOKOSA-N 1 0 303.362 1.690 20 5 DDBDRO C[N@H+](CCCC(=O)OC(C)(C)C)CCn1cc([N+](=O)[O-])cn1 ZINC000350057802 284140073 /nfs/dbraw/zinc/14/00/73/284140073.db2.gz BETFKLVXGIMLHR-UHFFFAOYSA-N 1 0 312.370 1.845 20 5 DDBDRO [NH3+]CC1(NC(=O)CCOc2ccccc2[N+](=O)[O-])CCCC1 ZINC000262599799 203345669 /nfs/dbraw/zinc/34/56/69/203345669.db2.gz NRPUXSUDDZOLGO-UHFFFAOYSA-N 1 0 307.350 1.751 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)CC(C)(C)C[NH3+] ZINC000093873768 193322648 /nfs/dbraw/zinc/32/26/48/193322648.db2.gz OTUNAIWCSOSXTA-UHFFFAOYSA-N 1 0 315.395 1.509 20 5 DDBDRO CCc1n[nH]c(C(=O)N(C)C2CC[NH+](C(C)C)CC2)c1[N+](=O)[O-] ZINC000264423232 203914539 /nfs/dbraw/zinc/91/45/39/203914539.db2.gz OKYIYRKALQQFDT-UHFFFAOYSA-N 1 0 323.397 1.825 20 5 DDBDRO CN(C(=O)CN1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000351472930 284329146 /nfs/dbraw/zinc/32/91/46/284329146.db2.gz BWUYMTUJTUHDIH-NILFDRSVSA-N 1 0 318.377 1.227 20 5 DDBDRO CN1CCC([NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000351504220 284350902 /nfs/dbraw/zinc/35/09/02/284350902.db2.gz VKSHCKFVJMQEPY-KGLIPLIRSA-N 1 0 307.398 1.959 20 5 DDBDRO C[N@H+](Cc1ccccc1)C1CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000288346445 220098868 /nfs/dbraw/zinc/09/88/68/220098868.db2.gz KBFGBQNTLRCIKJ-UHFFFAOYSA-N 1 0 314.345 1.879 20 5 DDBDRO C[C@@H]1c2ccsc2CC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266382014 205305203 /nfs/dbraw/zinc/30/52/03/205305203.db2.gz AYSUYPNZTOOVQW-PWSUYJOCSA-N 1 0 322.390 1.833 20 5 DDBDRO CC[C@H]1CN(c2ccc([N+](=O)[O-])c(OC)c2)CC[N@@H+]1C[C@@H](C)O ZINC000266392087 205313986 /nfs/dbraw/zinc/31/39/86/205313986.db2.gz OEAXAAZFFRTDEK-OLZOCXBDSA-N 1 0 323.393 1.885 20 5 DDBDRO C[NH+](C)C(C)(C)CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000042159316 183236806 /nfs/dbraw/zinc/23/68/06/183236806.db2.gz WHXUYCJULAIRFA-UHFFFAOYSA-N 1 0 310.310 1.573 20 5 DDBDRO C[NH+](C)CCc1ccc(NC(=O)Cn2ccc([N+](=O)[O-])n2)cc1 ZINC000102731631 193921504 /nfs/dbraw/zinc/92/15/04/193921504.db2.gz WXCVCUXMHGLBNY-UHFFFAOYSA-N 1 0 317.349 1.534 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(N(C)C[C@@H]2C[C@H](OC)C[N@H+]2C)c1 ZINC000284465712 218038854 /nfs/dbraw/zinc/03/88/54/218038854.db2.gz FIXVWZPIMXMRRV-AAEUAGOBSA-N 1 0 309.366 1.759 20 5 DDBDRO CC[C@@H]1CN(Cc2csc([N+](=O)[O-])c2)CC[N@@H+]1C[C@@H](C)O ZINC000105827361 194138542 /nfs/dbraw/zinc/13/85/42/194138542.db2.gz XGBSDKIGFSONRA-DGCLKSJQSA-N 1 0 313.423 1.933 20 5 DDBDRO O=[N+]([O-])c1cnc(NCC2([NH+]3CCCCC3)CCOCC2)nc1 ZINC000273626230 210930090 /nfs/dbraw/zinc/93/00/90/210930090.db2.gz PLKJUQTZKGRZGQ-UHFFFAOYSA-N 1 0 321.381 1.832 20 5 DDBDRO O=[N+]([O-])c1cccc(CN2CCN(CC[NH+]3CCCC3)CC2)c1 ZINC000053101079 183887037 /nfs/dbraw/zinc/88/70/37/183887037.db2.gz WTCWJDLKGKLCNT-UHFFFAOYSA-N 1 0 318.421 1.808 20 5 DDBDRO CC(C)[N@H+](C)CCNC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC000054132596 183925573 /nfs/dbraw/zinc/92/55/73/183925573.db2.gz UEMZALVBPHHKHO-UHFFFAOYSA-N 1 0 314.773 1.900 20 5 DDBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000110991880 194378887 /nfs/dbraw/zinc/37/88/87/194378887.db2.gz MFJGGWJKWKODBV-LBPRGKRZSA-N 1 0 309.370 1.090 20 5 DDBDRO C[NH+](C)Cc1ccccc1CNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000340459734 251068965 /nfs/dbraw/zinc/06/89/65/251068965.db2.gz WCUTZGGFHIZPBO-UHFFFAOYSA-N 1 0 302.334 1.915 20 5 DDBDRO COc1cc(C(=O)NC2CC[NH+](C)CC2)c([N+](=O)[O-])cc1OC ZINC000061031422 184160295 /nfs/dbraw/zinc/16/02/95/184160295.db2.gz SPNVCCRGJVJNJO-UHFFFAOYSA-N 1 0 323.349 1.436 20 5 DDBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H](CO)CC[NH+](CC)CC ZINC000340876029 251255376 /nfs/dbraw/zinc/25/53/76/251255376.db2.gz RPFAGZNPJMKYDF-GFCCVEGCSA-N 1 0 313.402 1.624 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@H](O)C[C@H]1C ZINC000340925920 251281122 /nfs/dbraw/zinc/28/11/22/251281122.db2.gz IVVXCMIYBPCONN-DGCLKSJQSA-N 1 0 307.350 1.687 20 5 DDBDRO O=C(NCC[C@H]1CC[NH2+]C1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000269171579 207293160 /nfs/dbraw/zinc/29/31/60/207293160.db2.gz JFLBMWMWJYNRHC-SNVBAGLBSA-N 1 0 321.333 1.095 20 5 DDBDRO CC[NH2+]Cc1cccc(NC(=O)c2n[nH]c(C)c2[N+](=O)[O-])c1 ZINC000269191069 207310537 /nfs/dbraw/zinc/31/05/37/207310537.db2.gz QVQOODGXTLETID-UHFFFAOYSA-N 1 0 303.322 1.988 20 5 DDBDRO C[NH+](C)[C@H]1CCCN(C(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000067044587 184446847 /nfs/dbraw/zinc/44/68/47/184446847.db2.gz HUFPOGDJLPGIMA-ZDUSSCGKSA-N 1 0 321.377 1.916 20 5 DDBDRO C[C@H](NC(=O)c1ccc(N)c([N+](=O)[O-])c1)C1=CC[N@H+](C)CC1 ZINC000272951041 210338248 /nfs/dbraw/zinc/33/82/48/210338248.db2.gz MRXDCBVLZAMSQC-JTQLQIEISA-N 1 0 304.350 1.557 20 5 DDBDRO Cc1cc(S(=O)(=O)N(C)[C@@H](C[NH3+])C2CC2)ccc1[N+](=O)[O-] ZINC000359987154 299576812 /nfs/dbraw/zinc/57/68/12/299576812.db2.gz ULAHKLDAYVJIJB-ZDUSSCGKSA-N 1 0 313.379 1.261 20 5 DDBDRO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000157649242 197204265 /nfs/dbraw/zinc/20/42/65/197204265.db2.gz VWIVDVULCOCREJ-NWDGAFQWSA-N 1 0 306.366 1.640 20 5 DDBDRO COc1cc(OCC(=O)NC[C@H]([NH3+])C(C)C)ccc1[N+](=O)[O-] ZINC000157107877 197163143 /nfs/dbraw/zinc/16/31/43/197163143.db2.gz INRIZRYPIJCLTN-NSHDSACASA-N 1 0 311.338 1.082 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000415500910 533139425 /nfs/dbraw/zinc/13/94/25/533139425.db2.gz MBPKXHUZXGHYHW-KOLCDFICSA-N 1 0 308.338 1.804 20 5 DDBDRO O=C(CNc1ccccc1[N+](=O)[O-])NCCC[C@@H]1CCC[NH2+]1 ZINC000294800293 224230096 /nfs/dbraw/zinc/23/00/96/224230096.db2.gz IHYDDTHHVWQGLA-LBPRGKRZSA-N 1 0 306.366 1.655 20 5 DDBDRO Nc1c(C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)cccc1[N+](=O)[O-] ZINC000289353389 220907794 /nfs/dbraw/zinc/90/77/94/220907794.db2.gz YFHOAYKPFMZENL-XYPYZODXSA-N 1 0 306.366 1.672 20 5 DDBDRO CC1(C)C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@@H]1[C@@H]1CCCO1 ZINC000289683206 221150783 /nfs/dbraw/zinc/15/07/83/221150783.db2.gz HUCLQSZCLQRODY-DZGCQCFKSA-N 1 0 321.377 1.646 20 5 DDBDRO Cc1c([C@H](C)[NH2+]C[C@H](O)Cn2ccnn2)cccc1[N+](=O)[O-] ZINC000414203626 224311363 /nfs/dbraw/zinc/31/13/63/224311363.db2.gz ZPTFYAYXZHGWKA-RYUDHWBXSA-N 1 0 305.338 1.206 20 5 DDBDRO CC(C)[C@](C)(CO)[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000352891306 285366128 /nfs/dbraw/zinc/36/61/28/285366128.db2.gz GPUDNHPTARDOOL-HNNXBMFYSA-N 1 0 309.366 1.554 20 5 DDBDRO CS(=O)(=O)CC1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CCC1 ZINC000414554464 533330215 /nfs/dbraw/zinc/33/02/15/533330215.db2.gz HDZDHCSAJBIQDF-UHFFFAOYSA-N 1 0 312.391 1.899 20 5 DDBDRO COc1cc(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)cc([N+](=O)[O-])c1C ZINC000457382357 533525331 /nfs/dbraw/zinc/52/53/31/533525331.db2.gz RMJMZCWTVSJXQY-AAEUAGOBSA-N 1 0 319.361 1.593 20 5 DDBDRO COC(=O)COc1ccc(CN2CC[C@H]([NH3+])[C@@H]2C)cc1[N+](=O)[O-] ZINC000414775980 533558357 /nfs/dbraw/zinc/55/83/57/533558357.db2.gz BTVALPDRGYNKEP-JQWIXIFHSA-N 1 0 323.349 1.068 20 5 DDBDRO C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])s2)CC[NH2+]1 ZINC000447252656 533655284 /nfs/dbraw/zinc/65/52/84/533655284.db2.gz SIOJVNDIUXRVSU-SFYZADRCSA-N 1 0 305.381 1.075 20 5 DDBDRO Cc1n[nH]c(C(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)c1[N+](=O)[O-] ZINC000424043578 533661456 /nfs/dbraw/zinc/66/14/56/533661456.db2.gz QYWCXPAUWFOBMK-ZDUSSCGKSA-N 1 0 321.381 1.477 20 5 DDBDRO C[C@H]1CN(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC[C@@H]1[NH3+] ZINC000568371312 304288376 /nfs/dbraw/zinc/28/83/76/304288376.db2.gz WPGDFPYGMFTCLP-FZMZJTMJSA-N 1 0 322.365 1.352 20 5 DDBDRO Cn1c(C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)ccc1[N+](=O)[O-] ZINC000353365317 285686155 /nfs/dbraw/zinc/68/61/55/285686155.db2.gz BIFGICKQZGSQFQ-LBPRGKRZSA-N 1 0 306.366 1.395 20 5 DDBDRO Cc1nn(C)c(C(=O)NC[C@H](CC(C)C)[NH+](C)C)c1[N+](=O)[O-] ZINC000114376823 407567572 /nfs/dbraw/zinc/56/75/72/407567572.db2.gz YUGJXMBYWSYCDC-NSHDSACASA-N 1 0 311.386 1.343 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@](C)(C[NH3+])C1 ZINC000261651969 407569212 /nfs/dbraw/zinc/56/92/12/407569212.db2.gz HLXIXYRXNHGUBN-OAHLLOKOSA-N 1 0 306.366 1.512 20 5 DDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1C[C@@H](SC)[C@H]([NH+](C)C)C1 ZINC000361064036 299797534 /nfs/dbraw/zinc/79/75/34/299797534.db2.gz YSMGWPJZMYDNST-GHMZBOCLSA-N 1 0 313.427 1.601 20 5 DDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H]([NH3+])C(C)C ZINC000070447661 406817104 /nfs/dbraw/zinc/81/71/04/406817104.db2.gz UIHZIRMMRJQKRC-SNVBAGLBSA-N 1 0 301.368 1.165 20 5 DDBDRO C[C@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000070173683 406810647 /nfs/dbraw/zinc/81/06/47/406810647.db2.gz KLLSAOGXTAFANH-WDEREUQCSA-N 1 0 313.379 1.343 20 5 DDBDRO CN(C)c1cccc(C[N@H+](C)CCn2ccc([N+](=O)[O-])n2)c1 ZINC000089922865 407159020 /nfs/dbraw/zinc/15/90/20/407159020.db2.gz ZEOSJVIHJYDDMJ-UHFFFAOYSA-N 1 0 303.366 1.989 20 5 DDBDRO C[C@@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000055539195 407203852 /nfs/dbraw/zinc/20/38/52/407203852.db2.gz JGHLNLUASHNRJU-ZDUSSCGKSA-N 1 0 305.378 1.985 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)CC1CC[NH+](C)CC1 ZINC000103450186 407340073 /nfs/dbraw/zinc/34/00/73/407340073.db2.gz UPZLYVFYMOAXOX-UHFFFAOYSA-N 1 0 323.397 1.290 20 5 DDBDRO COc1cc(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000108783533 407390257 /nfs/dbraw/zinc/39/02/57/407390257.db2.gz YJLFDOAIYHQATA-LLVKDONJSA-N 1 0 319.361 1.818 20 5 DDBDRO C[C@@H]([NH3+])CCNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000178613993 407511665 /nfs/dbraw/zinc/51/16/65/407511665.db2.gz LVQIIJQTSKEBMP-SNVBAGLBSA-N 1 0 303.322 1.248 20 5 DDBDRO C[C@@H](C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)C1C[NH2+]C1 ZINC000261606402 407547110 /nfs/dbraw/zinc/54/71/10/407547110.db2.gz ALLVJLCFHIANGL-GFCCVEGCSA-N 1 0 318.377 1.099 20 5 DDBDRO [NH3+]CC[C@@H]1CCCN(CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000261813887 407626198 /nfs/dbraw/zinc/62/61/98/407626198.db2.gz ADUBCYQAELLYMU-LBPRGKRZSA-N 1 0 306.366 1.594 20 5 DDBDRO COCC1(C(=O)NCc2cccc([N+](=O)[O-])c2C)CC[NH2+]CC1 ZINC000261849614 407641242 /nfs/dbraw/zinc/64/12/42/407641242.db2.gz JHBUBWJOBGAOND-UHFFFAOYSA-N 1 0 321.377 1.536 20 5 DDBDRO CCCN(C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)[C@H]1CC[NH2+]C1 ZINC000178891392 407644460 /nfs/dbraw/zinc/64/44/60/407644460.db2.gz NTLIJMQGVCYXMO-NSHDSACASA-N 1 0 317.349 1.685 20 5 DDBDRO Cc1cc(NCCC[N@@H+]2CCC[C@@H]2C(N)=O)ccc1[N+](=O)[O-] ZINC000271375869 407659109 /nfs/dbraw/zinc/65/91/09/407659109.db2.gz WPFUZZUGILPNHX-CQSZACIVSA-N 1 0 306.366 1.655 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](CO)C1 ZINC000266944688 407687360 /nfs/dbraw/zinc/68/73/60/407687360.db2.gz SDJASJLSMKFQBQ-LBPRGKRZSA-N 1 0 307.350 1.546 20 5 DDBDRO CC[C@H]1CN(c2nccc(C)c2[N+](=O)[O-])CC[N@@H+]1C[C@@H](C)O ZINC000115517065 407690493 /nfs/dbraw/zinc/69/04/93/407690493.db2.gz LHWXDKDBNPZDAD-OLZOCXBDSA-N 1 0 308.382 1.580 20 5 DDBDRO CC(C)[NH+](CCCNC(=O)c1nn(C)cc1[N+](=O)[O-])C(C)C ZINC000271476524 407699130 /nfs/dbraw/zinc/69/91/30/407699130.db2.gz ZSDATHUFYUXYQF-UHFFFAOYSA-N 1 0 311.386 1.567 20 5 DDBDRO C[NH2+]CC1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000262012434 407711417 /nfs/dbraw/zinc/71/14/17/407711417.db2.gz WMIGNVYISKZOLI-UHFFFAOYSA-N 1 0 306.366 1.465 20 5 DDBDRO O=[N+]([O-])c1cccc(CN2CC[NH+](C3CCOCC3)CC2)c1 ZINC000267057853 407732898 /nfs/dbraw/zinc/73/28/98/407732898.db2.gz SDWYMFFFHSXYKJ-UHFFFAOYSA-N 1 0 305.378 1.891 20 5 DDBDRO CC(C)C[C@](C)(C[NH3+])NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000236681364 407749319 /nfs/dbraw/zinc/74/93/19/407749319.db2.gz WSPJIQOSAYYYAK-MRXNPFEDSA-N 1 0 322.409 1.911 20 5 DDBDRO CCc1n[nH]c(C(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000171730929 407750416 /nfs/dbraw/zinc/75/04/16/407750416.db2.gz WAWRXJKWWOFGMD-QWRGUYRKSA-N 1 0 323.397 1.731 20 5 DDBDRO C[NH2+]CCN(C)C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000237362357 407815826 /nfs/dbraw/zinc/81/58/26/407815826.db2.gz OAQUVQQRFQZIJA-UHFFFAOYSA-N 1 0 303.322 1.072 20 5 DDBDRO Cc1ccc(NC(=O)C(=O)NCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000172305203 407818093 /nfs/dbraw/zinc/81/80/93/407818093.db2.gz UDSXQZAYJRTKQQ-UHFFFAOYSA-N 1 0 320.349 1.054 20 5 DDBDRO CC(C)([NH3+])CC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000172360358 407823191 /nfs/dbraw/zinc/82/31/91/407823191.db2.gz URAMKJJFACUPKD-UHFFFAOYSA-N 1 0 306.366 1.371 20 5 DDBDRO Cc1cccc(C(=O)N2CCC(OCCC[NH3+])CC2)c1[N+](=O)[O-] ZINC000237601934 407828007 /nfs/dbraw/zinc/82/80/07/407828007.db2.gz BZKTXJMSGWCLON-UHFFFAOYSA-N 1 0 321.377 1.873 20 5 DDBDRO [NH3+][C@@H]1CCC[C@H](C(=O)NCCNc2ccccc2[N+](=O)[O-])C1 ZINC000237974756 407861774 /nfs/dbraw/zinc/86/17/74/407861774.db2.gz FENAPUVBPDBVKL-NWDGAFQWSA-N 1 0 306.366 1.640 20 5 DDBDRO [NH3+]C[C@@H]1CCC[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000238019191 407868723 /nfs/dbraw/zinc/86/87/23/407868723.db2.gz YKTTVWBMYLKSMI-YUMQZZPRSA-N 1 0 305.381 1.062 20 5 DDBDRO COC[C@@]1(CNC(=O)c2ccc(C)c([N+](=O)[O-])c2)CCC[NH2+]1 ZINC000262574203 407871972 /nfs/dbraw/zinc/87/19/72/407871972.db2.gz XVAKGYMTXAMMKI-HNNXBMFYSA-N 1 0 307.350 1.402 20 5 DDBDRO C[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@H](C)[NH2+]1 ZINC000153702251 407885457 /nfs/dbraw/zinc/88/54/57/407885457.db2.gz SNIUDIBIPJOIFH-NXEZZACHSA-N 1 0 311.769 2.000 20 5 DDBDRO COC(=O)c1cc(NC(=O)[C@H]2CCCC[NH2+]2)cc([N+](=O)[O-])c1 ZINC000153824197 407911405 /nfs/dbraw/zinc/91/14/05/407911405.db2.gz FUAGCKHXTIUKHP-GFCCVEGCSA-N 1 0 307.306 1.462 20 5 DDBDRO COc1cc(NC[C@H]2C[N@H+](C)CCN2C)c([N+](=O)[O-])cc1F ZINC000268223921 407955849 /nfs/dbraw/zinc/95/58/49/407955849.db2.gz SZLCFEGQVFGEOX-JTQLQIEISA-N 1 0 312.345 1.400 20 5 DDBDRO Cc1nn(CCC(=O)N2CC[NH2+][C@@H](C)[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000262783587 407928400 /nfs/dbraw/zinc/92/84/00/407928400.db2.gz LWOBADIZPQBIAJ-ONGXEEELSA-N 1 0 309.370 1.007 20 5 DDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000272463667 407935339 /nfs/dbraw/zinc/93/53/39/407935339.db2.gz OUJJYRCAUYOZJU-SNVBAGLBSA-N 1 0 304.350 1.391 20 5 DDBDRO CC1CC[NH+](CCN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)CC1 ZINC000154197977 407992857 /nfs/dbraw/zinc/99/28/57/407992857.db2.gz LBKJBSSSNUTVMX-UHFFFAOYSA-N 1 0 317.345 1.923 20 5 DDBDRO CC(C)(C)[C@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C[C@@H]1O ZINC000273244424 408123651 /nfs/dbraw/zinc/12/36/51/408123651.db2.gz GERNIQHYFXWIGT-KBPBESRZSA-N 1 0 323.393 1.485 20 5 DDBDRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000137398937 408152100 /nfs/dbraw/zinc/15/21/00/408152100.db2.gz HSXOLVZQDWWPKX-GFCCVEGCSA-N 1 0 317.349 1.221 20 5 DDBDRO Cc1ccc(C)c(S(=O)(=O)N(C)CC[NH+](C)C)c1[N+](=O)[O-] ZINC000190042362 408154549 /nfs/dbraw/zinc/15/45/49/408154549.db2.gz STANZCBGOPDFSF-UHFFFAOYSA-N 1 0 315.395 1.394 20 5 DDBDRO COc1cc(C(=O)N[C@H]2CCC[C@@H]2C[NH3+])cc([N+](=O)[O-])c1OC ZINC000269281429 408250218 /nfs/dbraw/zinc/25/02/18/408250218.db2.gz QPVLRSOCKJGDPV-KOLCDFICSA-N 1 0 323.349 1.469 20 5 DDBDRO C[NH+](C)CCOc1cc(CNc2ncc([N+](=O)[O-])cn2)ccn1 ZINC000273710352 408294971 /nfs/dbraw/zinc/29/49/71/408294971.db2.gz FBZJCRHJWBJCKR-UHFFFAOYSA-N 1 0 318.337 1.332 20 5 DDBDRO O=[N+]([O-])c1cc(Cl)cnc1NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000148555091 162134198 /nfs/dbraw/zinc/13/41/98/162134198.db2.gz WIODLFDGQKXGAM-MNOVXSKESA-N 1 0 312.757 1.918 20 5 DDBDRO C[C@H](C[NH+](C)C)Nc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000168937610 162182801 /nfs/dbraw/zinc/18/28/01/162182801.db2.gz FZMUYEGMFLTZRA-SECBINFHSA-N 1 0 301.368 1.360 20 5 DDBDRO O=C([C@H]1CCC[NH2+]C1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000169185883 162183524 /nfs/dbraw/zinc/18/35/24/162183524.db2.gz IMOWFAPTZKIDFF-RYUDHWBXSA-N 1 0 319.365 1.002 20 5 DDBDRO CC[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C[C@H](C)O ZINC000247021290 408389862 /nfs/dbraw/zinc/38/98/62/408389862.db2.gz CQQJVZJJQAKOOM-DZGCQCFKSA-N 1 0 307.394 1.872 20 5 DDBDRO O=C(NCC1([NH+]2CCCC2)CCOCC1)c1ccc([N+](=O)[O-])o1 ZINC000264192156 408397045 /nfs/dbraw/zinc/39/70/45/408397045.db2.gz OXFLPKJYWMXVID-UHFFFAOYSA-N 1 0 323.349 1.563 20 5 DDBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000269743850 408413086 /nfs/dbraw/zinc/41/30/86/408413086.db2.gz XXPVOWQDCPYLDH-CQSZACIVSA-N 1 0 321.381 1.315 20 5 DDBDRO C[NH+](C)CCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000160558875 408498184 /nfs/dbraw/zinc/49/81/84/408498184.db2.gz YTYAUSVFVGHVDL-UHFFFAOYSA-N 1 0 316.155 1.649 20 5 DDBDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000183662406 408465028 /nfs/dbraw/zinc/46/50/28/408465028.db2.gz MAMNLMZYCPDXBX-LLVKDONJSA-N 1 0 323.397 1.812 20 5 DDBDRO CCCC[N@H+](C)CC1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000160989702 408547502 /nfs/dbraw/zinc/54/75/02/408547502.db2.gz PQUQDZHHJHGBRD-UHFFFAOYSA-N 1 0 323.397 1.902 20 5 DDBDRO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000248620978 408601466 /nfs/dbraw/zinc/60/14/66/408601466.db2.gz MXOZXUWPJWJYAP-JOYOIKCWSA-N 1 0 307.354 1.031 20 5 DDBDRO CS[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)C[C@@H]1[NH+](C)C ZINC000270533931 408567215 /nfs/dbraw/zinc/56/72/15/408567215.db2.gz VXJKFLUFXKVOHZ-QWHCGFSZSA-N 1 0 309.391 1.712 20 5 DDBDRO C[N@H+]1C[C@H]2CN(C(=O)c3c[nH]c4ccc([N+](=O)[O-])cc34)C[C@H]2C1 ZINC000192471540 408592612 /nfs/dbraw/zinc/59/26/12/408592612.db2.gz YBQYASOGAZKSTO-PHIMTYICSA-N 1 0 314.345 1.710 20 5 DDBDRO C[C@@H]1CN(CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000270630648 408613030 /nfs/dbraw/zinc/61/30/30/408613030.db2.gz GSXATEOCQCRUSQ-BXUZGUMPSA-N 1 0 306.366 1.415 20 5 DDBDRO C[C@H](c1ccccn1)[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000270680759 408634741 /nfs/dbraw/zinc/63/47/41/408634741.db2.gz URCSPOHINMCOLU-DGCLKSJQSA-N 1 0 305.338 1.240 20 5 DDBDRO Cn1cc([N+](=O)[O-])c(C(=O)NCc2ccccc2C[NH+](C)C)n1 ZINC000270748435 408661816 /nfs/dbraw/zinc/66/18/16/408661816.db2.gz BQGLQRMAXVUDSA-UHFFFAOYSA-N 1 0 317.349 1.320 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000249545169 408739572 /nfs/dbraw/zinc/73/95/72/408739572.db2.gz GAVVBQOOGJOHDK-UONOGXRCSA-N 1 0 307.394 1.963 20 5 DDBDRO CCOC(=O)c1ccnc(N2CC[C@@H](C[NH+](C)C)C2)c1[N+](=O)[O-] ZINC000265526970 408681680 /nfs/dbraw/zinc/68/16/80/408681680.db2.gz AEHQJZDCBZUSDF-NSHDSACASA-N 1 0 322.365 1.554 20 5 DDBDRO C[NH+](C)C[C@H]1CCCCN1C(=O)c1cccc([N+](=O)[O-])c1N ZINC000178192134 408786280 /nfs/dbraw/zinc/78/62/80/408786280.db2.gz BNTVLGJXGXXHDN-LLVKDONJSA-N 1 0 306.366 1.733 20 5 DDBDRO C[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C[NH3+] ZINC000163791863 408790225 /nfs/dbraw/zinc/79/02/25/408790225.db2.gz PVTLUOUXTVLZNX-MNOVXSKESA-N 1 0 313.379 1.200 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@](C)(O)C1 ZINC000177973348 408747474 /nfs/dbraw/zinc/74/74/74/408747474.db2.gz PZHIEVNLIZETFC-HNNXBMFYSA-N 1 0 307.350 1.689 20 5 DDBDRO CN(CCC[NH+]1CCCC1)CCn1cc([N+](=O)[O-])ccc1=O ZINC000281273664 408878047 /nfs/dbraw/zinc/87/80/47/408878047.db2.gz ICLANJYZWCZXRL-UHFFFAOYSA-N 1 0 308.382 1.174 20 5 DDBDRO COC(=O)c1cnc(NC[C@@H](C)[N@H+](C)C2CC2)c([N+](=O)[O-])c1 ZINC000190172037 163130992 /nfs/dbraw/zinc/13/09/92/163130992.db2.gz AGKQVQFLMLHTRH-SECBINFHSA-N 1 0 308.338 1.671 20 5 DDBDRO Cc1cccc2c1C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CC2 ZINC000277371229 408928958 /nfs/dbraw/zinc/92/89/58/408928958.db2.gz XQOXCLZKSKOMCX-HNNXBMFYSA-N 1 0 316.361 1.519 20 5 DDBDRO O=C(CNc1ccccc1[N+](=O)[O-])NCCC[NH+]1CCCCC1 ZINC000195429219 163321210 /nfs/dbraw/zinc/32/12/10/163321210.db2.gz LDOPWBPMQYSMNR-UHFFFAOYSA-N 1 0 320.393 1.999 20 5 DDBDRO Cc1cc(C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)c(N)c([N+](=O)[O-])c1 ZINC000293244662 409075145 /nfs/dbraw/zinc/07/51/45/409075145.db2.gz FLLXOTCJASZQNK-PWSUYJOCSA-N 1 0 304.350 1.309 20 5 DDBDRO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000293348103 409095130 /nfs/dbraw/zinc/09/51/30/409095130.db2.gz JVKUNBLDPVIUAQ-BXKDBHETSA-N 1 0 315.333 1.295 20 5 DDBDRO O=C(COc1ccccc1[N+](=O)[O-])N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000293507981 409127407 /nfs/dbraw/zinc/12/74/07/409127407.db2.gz SVSYDSKKCRIDKS-VXGBXAGGSA-N 1 0 305.334 1.184 20 5 DDBDRO O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000289208082 409233113 /nfs/dbraw/zinc/23/31/13/409233113.db2.gz KELIEQZUMODEOX-HNNXBMFYSA-N 1 0 307.325 1.950 20 5 DDBDRO CC(C)(C[C@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1)C(N)=O ZINC000295078584 409314545 /nfs/dbraw/zinc/31/45/45/409314545.db2.gz AXUBFDFPBBYUQA-GFCCVEGCSA-N 1 0 323.397 1.405 20 5 DDBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)[C@@H]1CCN2CCO[C@H]1C2 ZINC000295281883 409412545 /nfs/dbraw/zinc/41/25/45/409412545.db2.gz DBVALEKCJDGWDI-CVEARBPZSA-N 1 0 321.377 1.379 20 5 DDBDRO C[C@H]([NH2+]C[C@H](CO)[C@H]1CCOC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285458188 409451867 /nfs/dbraw/zinc/45/18/67/409451867.db2.gz ZUTSFWIJZRAODW-WCFLWFBJSA-N 1 0 309.366 1.473 20 5 DDBDRO CC[C@H](CNc1nccc(C(N)=O)c1[N+](=O)[O-])[NH+]1CCCC1 ZINC000290593415 409455931 /nfs/dbraw/zinc/45/59/31/409455931.db2.gz XVCHCLVGBWBFHB-SNVBAGLBSA-N 1 0 307.354 1.375 20 5 DDBDRO COc1cc(C(=O)N[C@@H]2CCC[NH2+]CC2)c([N+](=O)[O-])cc1OC ZINC000323221569 164047939 /nfs/dbraw/zinc/04/79/39/164047939.db2.gz QLTUBFPCGCJHII-SNVBAGLBSA-N 1 0 323.349 1.484 20 5 DDBDRO C[C@H]1CN(C)CCN1C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000408113025 164231606 /nfs/dbraw/zinc/23/16/06/164231606.db2.gz PTELMGFNEXKVKT-JTQLQIEISA-N 1 0 302.334 1.852 20 5 DDBDRO Cc1nn(C)c(C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)c1[N+](=O)[O-] ZINC000408128959 164236384 /nfs/dbraw/zinc/23/63/84/164236384.db2.gz MLEWTVLSYRLYIP-MWLCHTKSSA-N 1 0 309.370 1.049 20 5 DDBDRO Cc1nn(C)c(C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000408130126 164237399 /nfs/dbraw/zinc/23/73/99/164237399.db2.gz SVISMLNEOMLWSX-ONGXEEELSA-N 1 0 309.370 1.191 20 5 DDBDRO C[C@H]1C[N@@H+](C2CCN(c3ncc([N+](=O)[O-])cc3F)CC2)CCO1 ZINC000408464936 164340095 /nfs/dbraw/zinc/34/00/95/164340095.db2.gz GFKRESWQZPWBLU-NSHDSACASA-N 1 0 324.356 1.818 20 5 DDBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CNC[C@](C)(O)C[NH+](C)C ZINC000344855576 409534277 /nfs/dbraw/zinc/53/42/77/409534277.db2.gz GJJFEKCRZUZRGL-RQPMMQJISA-N 1 0 307.394 1.900 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+]C(C)(C)CC(N)=O ZINC000349236919 409754659 /nfs/dbraw/zinc/75/46/59/409754659.db2.gz HWSUSSRDNGKKAP-UHFFFAOYSA-N 1 0 308.338 1.085 20 5 DDBDRO CC(C)(C(=O)NC[C@@]1(C)CCC[NH2+]C1)n1cc([N+](=O)[O-])cn1 ZINC000342617650 409767671 /nfs/dbraw/zinc/76/76/71/409767671.db2.gz KENCCTNEKKJURW-AWEZNQCLSA-N 1 0 309.370 1.032 20 5 DDBDRO CO[C@H](C)C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C(C)C ZINC000354367297 409800419 /nfs/dbraw/zinc/80/04/19/409800419.db2.gz JSASUAXXZZLBSD-LLVKDONJSA-N 1 0 309.366 1.939 20 5 DDBDRO COc1cc(C(=O)N(C)Cc2ncc[nH]2)cc([N+](=O)[O-])c1OC ZINC000357178979 409923847 /nfs/dbraw/zinc/92/38/47/409923847.db2.gz XCHRVYCRABOMSA-UHFFFAOYSA-N 1 0 320.305 1.607 20 5 DDBDRO C[C@@H]1C[C@@H](NC(=O)CCNc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000357392603 410010333 /nfs/dbraw/zinc/01/03/33/410010333.db2.gz OAOIUFQQRAXKPC-OLZOCXBDSA-N 1 0 320.393 1.996 20 5 DDBDRO COc1ccc(NC(=O)CC[N@H+](C)[C@H](C)CO)c([N+](=O)[O-])c1 ZINC000298517401 410270288 /nfs/dbraw/zinc/27/02/88/410270288.db2.gz LDOJPBINKHPESP-SNVBAGLBSA-N 1 0 311.338 1.245 20 5 DDBDRO CC[NH+](CC)C[C@H](C)Nc1ncc(C(=O)OC)cc1[N+](=O)[O-] ZINC000358147253 410380235 /nfs/dbraw/zinc/38/02/35/410380235.db2.gz JZFDAFMYTBNUHI-JTQLQIEISA-N 1 0 310.354 1.919 20 5 DDBDRO C[C@@H](CNC(=O)COc1ccc([N+](=O)[O-])cc1)C[NH+]1CCCC1 ZINC000298873372 410433634 /nfs/dbraw/zinc/43/36/34/410433634.db2.gz VVFGOCODNBYCOS-ZDUSSCGKSA-N 1 0 321.377 1.822 20 5 DDBDRO C[NH+](C)CCOCCNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000355313549 410434519 /nfs/dbraw/zinc/43/45/19/410434519.db2.gz IYAVTQKFECEEIW-UHFFFAOYSA-N 1 0 320.349 1.384 20 5 DDBDRO CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)C[C@H](C)O ZINC000352203663 410545091 /nfs/dbraw/zinc/54/50/91/410545091.db2.gz ULBARGKSGKWQNN-LBPRGKRZSA-N 1 0 309.366 1.935 20 5 DDBDRO Nc1nc(N2CCC[C@H]([NH+]3CCCCCC3)C2)ncc1[N+](=O)[O-] ZINC000301197737 410675950 /nfs/dbraw/zinc/67/59/50/410675950.db2.gz OPCFERWHCXUADV-LBPRGKRZSA-N 1 0 320.397 1.812 20 5 DDBDRO C[C@@H](C[NH+](C)C)Nc1cc(CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000343812744 410717347 /nfs/dbraw/zinc/71/73/47/410717347.db2.gz VXTHOYFGDARQFR-ZDUSSCGKSA-N 1 0 322.409 1.789 20 5 DDBDRO C[C@H](C[NH+](C)C)Nc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000343810199 410717831 /nfs/dbraw/zinc/71/78/31/410717831.db2.gz SFXBHAJICVMLQA-SECBINFHSA-N 1 0 301.368 1.360 20 5 DDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000301449455 410722473 /nfs/dbraw/zinc/72/24/73/410722473.db2.gz LALNLNBCNSGZNK-ZDUSSCGKSA-N 1 0 316.361 1.405 20 5 DDBDRO Cc1c(CNC(=O)N2CCC[N@@H+](C)CC2)cccc1[N+](=O)[O-] ZINC000359552646 410727599 /nfs/dbraw/zinc/72/75/99/410727599.db2.gz OAWYOMSVXHXCKW-UHFFFAOYSA-N 1 0 306.366 1.750 20 5 DDBDRO COc1cc(C[NH2+]CCc2cc(C)no2)c([N+](=O)[O-])cc1O ZINC000353093686 410779748 /nfs/dbraw/zinc/77/97/48/410779748.db2.gz IESCTIHWSZSCQI-UHFFFAOYSA-N 1 0 307.306 1.938 20 5 DDBDRO CCc1ccc([C@@H](CO)[NH2+]CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000359625598 410781915 /nfs/dbraw/zinc/78/19/15/410781915.db2.gz NMXUKDSKLZGETN-OAHLLOKOSA-N 1 0 304.350 1.677 20 5 DDBDRO Cc1ccc(NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c([N+](=O)[O-])c1 ZINC000301801011 410800074 /nfs/dbraw/zinc/80/00/74/410800074.db2.gz CDCBZRKHKIKDNX-CYBMUJFWSA-N 1 0 320.393 1.903 20 5 DDBDRO C[NH+](C)[C@@H](CNc1ccc2ncc([N+](=O)[O-])n2n1)c1ccco1 ZINC000301841091 410813683 /nfs/dbraw/zinc/81/36/83/410813683.db2.gz PHTJZDRCCKBKCJ-JTQLQIEISA-N 1 0 316.321 1.945 20 5 DDBDRO Cc1c([C@@H](C)[NH2+]C[C@@H]2CN(C)CCN2C)cccc1[N+](=O)[O-] ZINC000330673534 410866002 /nfs/dbraw/zinc/86/60/02/410866002.db2.gz HKGPOMFCILMVPH-ZIAGYGMSSA-N 1 0 306.410 1.800 20 5 DDBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)N1CC[NH+]2CCC1CC2 ZINC000341201126 410932730 /nfs/dbraw/zinc/93/27/30/410932730.db2.gz BARSTUITKPFIKO-UHFFFAOYSA-N 1 0 304.350 1.584 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000344068257 410934303 /nfs/dbraw/zinc/93/43/03/410934303.db2.gz QIRRRIFZUGCELZ-XFMPKHEZSA-N 1 0 322.361 1.037 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CCC(C[NH+](C)C)CC2)n1 ZINC000331191199 411005663 /nfs/dbraw/zinc/00/56/63/411005663.db2.gz KGAPANXRFOBGED-UHFFFAOYSA-N 1 0 309.370 1.225 20 5 DDBDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344239094 411045567 /nfs/dbraw/zinc/04/55/67/411045567.db2.gz BKCSELOCUWGQRR-LLVKDONJSA-N 1 0 324.356 1.100 20 5 DDBDRO CC(C)[NH+]1CCC(Nc2cccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000341396767 411037641 /nfs/dbraw/zinc/03/76/41/411037641.db2.gz ZDYNENNWORVWAQ-UHFFFAOYSA-N 1 0 306.366 1.978 20 5 DDBDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cc([N+](=O)[O-])nn1C ZINC000356451576 411039289 /nfs/dbraw/zinc/03/92/89/411039289.db2.gz WTHBDLYEHCOUTL-GRYCIOLGSA-N 1 0 323.397 1.425 20 5 DDBDRO C[C@@H]1[C@@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CCS1(=O)=O ZINC000353854315 411136204 /nfs/dbraw/zinc/13/62/04/411136204.db2.gz IXQOLBAHXCJFOG-YJLKIPLNSA-N 1 0 310.375 1.773 20 5 DDBDRO C[NH2+]C1CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000580713581 422949717 /nfs/dbraw/zinc/94/97/17/422949717.db2.gz YIPNORZKBGVORL-UHFFFAOYSA-N 1 0 314.345 1.967 20 5 DDBDRO C[N@@H+]1CCCC[C@H](CNC(=O)c2ccnc(N)c2[N+](=O)[O-])C1 ZINC000600314888 416617898 /nfs/dbraw/zinc/61/78/98/416617898.db2.gz QHCJHOWBDQSUPR-SNVBAGLBSA-N 1 0 307.354 1.034 20 5 DDBDRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000418668836 225856625 /nfs/dbraw/zinc/85/66/25/225856625.db2.gz IWKBRWGSPIBODQ-NHAGDIPZSA-N 1 0 316.361 1.487 20 5 DDBDRO O=C(CC[N@H+]1C[C@H]2[C@H](CO)[C@H]2C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000366452413 418475157 /nfs/dbraw/zinc/47/51/57/418475157.db2.gz ZKIVIWXHLKODIL-GDNZZTSVSA-N 1 0 323.324 1.233 20 5 DDBDRO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000366457914 418476393 /nfs/dbraw/zinc/47/63/93/418476393.db2.gz CGKYVOAVNQZEAW-XHDPSFHLSA-N 1 0 316.361 1.603 20 5 DDBDRO Cn1nc([N+](=O)[O-])cc1C(=O)N1CCC2(CCC[N@@H+]2C)CC1 ZINC000360661765 418486411 /nfs/dbraw/zinc/48/64/11/418486411.db2.gz CFZRHBMHIADHPY-UHFFFAOYSA-N 1 0 307.354 1.029 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000374601322 418545097 /nfs/dbraw/zinc/54/50/97/418545097.db2.gz FKYYGQGPMWJTNY-LEWSCRJBSA-N 1 0 319.361 1.803 20 5 DDBDRO CC[C@@H](CO)[NH+]1CCN(c2c([N+](=O)[O-])nc(C)n2CC)CC1 ZINC000360998209 418562587 /nfs/dbraw/zinc/56/25/87/418562587.db2.gz YUJVIVADEZDERU-LBPRGKRZSA-N 1 0 311.386 1.013 20 5 DDBDRO CO[C@H]1CCC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000360997253 418562886 /nfs/dbraw/zinc/56/28/86/418562886.db2.gz FUHRKIWPZCWMME-GJZGRUSLSA-N 1 0 324.377 1.835 20 5 DDBDRO CCC[NH+]1CCC(CNC(=O)c2nn(CC)cc2[N+](=O)[O-])CC1 ZINC000191792301 222110737 /nfs/dbraw/zinc/11/07/37/222110737.db2.gz UKKHETZZKKULDI-UHFFFAOYSA-N 1 0 323.397 1.663 20 5 DDBDRO O=C(COc1ccccc1[N+](=O)[O-])N[C@H]1C[C@@H]1C1CC[NH2+]CC1 ZINC000361099021 418582816 /nfs/dbraw/zinc/58/28/16/418582816.db2.gz VFPCIQOPCBWSTH-OLZOCXBDSA-N 1 0 319.361 1.478 20 5 DDBDRO Cc1c(CN2CCC[N@@H+]([C@H](C)CO)CC2)cccc1[N+](=O)[O-] ZINC000375487318 418647576 /nfs/dbraw/zinc/64/75/76/418647576.db2.gz VSKKFGUQCOZBAB-CYBMUJFWSA-N 1 0 307.394 1.792 20 5 DDBDRO CC1(C)C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H]1[C@H]1CCCO1 ZINC000367724748 418626975 /nfs/dbraw/zinc/62/69/75/418626975.db2.gz HFQBKASWMWDLAD-MJBXVCDLSA-N 1 0 324.381 1.042 20 5 DDBDRO C[NH+](C)C/C=C/C(=O)N1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375389950 418633627 /nfs/dbraw/zinc/63/36/27/418633627.db2.gz GLRLMCOGRUDGOD-FUEXJSSKSA-N 1 0 307.354 1.073 20 5 DDBDRO CO[C@@H]1CC[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000361361897 418635597 /nfs/dbraw/zinc/63/55/97/418635597.db2.gz MRRZCRWZOJDWOA-GFCCVEGCSA-N 1 0 307.350 1.953 20 5 DDBDRO C[C@@H]1CC[N@H+](C)CCN1C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000361788237 418711140 /nfs/dbraw/zinc/71/11/40/418711140.db2.gz QWCLMXTVVGCOAI-CYBMUJFWSA-N 1 0 320.393 1.584 20 5 DDBDRO C[C@@H](CO)[N@@H+]1CCCN(c2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC000364611075 418793280 /nfs/dbraw/zinc/79/32/80/418793280.db2.gz YLFFKLLLIHLWRY-LBPRGKRZSA-N 1 0 320.393 1.456 20 5 DDBDRO Cc1cc(NC[C@H]2CCC[C@@H]2[NH+]2CCOCC2)ncc1[N+](=O)[O-] ZINC000364885453 418821835 /nfs/dbraw/zinc/82/18/35/418821835.db2.gz CZKVHJPVTYOSEG-KGLIPLIRSA-N 1 0 320.393 2.211 20 5 DDBDRO C[C@@H]1CCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)[C@@H](C[NH3+])C1 ZINC000417931194 419395933 /nfs/dbraw/zinc/39/59/33/419395933.db2.gz BRJHBUQXONCRQT-IUODEOHRSA-N 1 0 320.393 1.906 20 5 DDBDRO C[C@H](NC(=O)NCCc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]C1 ZINC000417947115 419413215 /nfs/dbraw/zinc/41/32/15/419413215.db2.gz RXGQYOQUCLSUQP-GXTWGEPZSA-N 1 0 320.393 1.825 20 5 DDBDRO C[NH+](C)[C@H](CNC(=O)Cn1cnc([N+](=O)[O-])c1)c1ccccc1 ZINC000298286911 228464631 /nfs/dbraw/zinc/46/46/31/228464631.db2.gz AQIHJTOLNAFXOQ-CYBMUJFWSA-N 1 0 317.349 1.210 20 5 DDBDRO C[C@@H](CC[NH3+])NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000417991185 419457514 /nfs/dbraw/zinc/45/75/14/419457514.db2.gz NASVXOIHLKAGMN-VIFPVBQESA-N 1 0 314.773 1.827 20 5 DDBDRO COc1ccc(OCC[N@@H+]2C[C@@H](O)CC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000421026674 419457840 /nfs/dbraw/zinc/45/78/40/419457840.db2.gz UODNIWIVZRKGLJ-RYUDHWBXSA-N 1 0 310.350 1.827 20 5 DDBDRO COC(=O)[C@@H]1CSCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000412076230 419629128 /nfs/dbraw/zinc/62/91/28/419629128.db2.gz IQXHISOIYHYLKA-LBPRGKRZSA-N 1 0 310.375 1.933 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000421704624 419686989 /nfs/dbraw/zinc/68/69/89/419686989.db2.gz PHLOZSZMLBFASN-GFCCVEGCSA-N 1 0 309.370 1.042 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000421857720 419751601 /nfs/dbraw/zinc/75/16/01/419751601.db2.gz CBWVXOGFQMIDPH-OAHLLOKOSA-N 1 0 307.350 1.008 20 5 DDBDRO COCC[N@H+](C)CCCNc1nccc2ccc([N+](=O)[O-])cc21 ZINC000413056134 419769427 /nfs/dbraw/zinc/76/94/27/419769427.db2.gz UATHPWPBIIGYNN-UHFFFAOYSA-N 1 0 318.377 2.523 20 5 DDBDRO CC(C)(NC(=O)N[C@H](C[NH3+])C1CC1)c1ccccc1[N+](=O)[O-] ZINC000418401128 419775605 /nfs/dbraw/zinc/77/56/05/419775605.db2.gz NDEFOSRMBKICRW-GFCCVEGCSA-N 1 0 306.366 1.866 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCCN1CCOC[C@H]1C ZINC000421764708 419717626 /nfs/dbraw/zinc/71/76/26/419717626.db2.gz WNTOXAFJIXQZAW-CYBMUJFWSA-N 1 0 321.377 1.662 20 5 DDBDRO CC[C@@H]1CN(CCNC(=O)c2ccc([N+](=O)[O-])c(C)c2)CCO1 ZINC000428056812 419802946 /nfs/dbraw/zinc/80/29/46/419802946.db2.gz HRYHRNVVDUPZNA-CQSZACIVSA-N 1 0 321.377 1.744 20 5 DDBDRO [NH3+]C[C@@H](NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)C1CC1 ZINC000418461939 419816920 /nfs/dbraw/zinc/81/69/20/419816920.db2.gz LAHNHNKHKDOUGV-CQSZACIVSA-N 1 0 304.350 1.400 20 5 DDBDRO COCC[NH2+]CCNC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000418512708 419847917 /nfs/dbraw/zinc/84/79/17/419847917.db2.gz UJSPIAMTXIWKRZ-UHFFFAOYSA-N 1 0 324.381 1.015 20 5 DDBDRO Cc1nn(C)c(C(=O)NCC2([NH+](C)C)CCCCC2)c1[N+](=O)[O-] ZINC000299140243 228958892 /nfs/dbraw/zinc/95/88/92/228958892.db2.gz HJQRODLLXOTNET-UHFFFAOYSA-N 1 0 323.397 1.631 20 5 DDBDRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000418602625 419896217 /nfs/dbraw/zinc/89/62/17/419896217.db2.gz WAIDLFXPGARHNN-SWLSCSKDSA-N 1 0 320.393 1.777 20 5 DDBDRO Cc1cc(NC(=O)C(=O)NC[C@H](C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000299269366 229019037 /nfs/dbraw/zinc/01/90/37/229019037.db2.gz KTGKVUCSIHSXDX-JTQLQIEISA-N 1 0 322.365 1.156 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000429181751 419983616 /nfs/dbraw/zinc/98/36/16/419983616.db2.gz BDRJLVNPKOMQNT-JQWIXIFHSA-N 1 0 309.370 1.076 20 5 DDBDRO COc1cccc(C(=O)NC[C@]2(C)CCC[NH2+]C2)c1[N+](=O)[O-] ZINC000423517568 420068620 /nfs/dbraw/zinc/06/86/20/420068620.db2.gz HWIXIPBAXPNKCX-OAHLLOKOSA-N 1 0 307.350 1.723 20 5 DDBDRO COC[C@@]1(CNC(=O)Nc2ccc([N+](=O)[O-])c(C)c2)CCC[NH2+]1 ZINC000415414163 420053758 /nfs/dbraw/zinc/05/37/58/420053758.db2.gz FMBKPYGICMYEMA-HNNXBMFYSA-N 1 0 322.365 1.793 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000415506736 420094019 /nfs/dbraw/zinc/09/40/19/420094019.db2.gz RVGIHZQLLFCMJQ-VHSXEESVSA-N 1 0 308.338 1.852 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000423605504 420095924 /nfs/dbraw/zinc/09/59/24/420095924.db2.gz JSUFJTCXKUDYMR-PHIMTYICSA-N 1 0 305.334 1.285 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000423608175 420098313 /nfs/dbraw/zinc/09/83/13/420098313.db2.gz LIQVSIYNXQBABK-GHMZBOCLSA-N 1 0 307.350 1.864 20 5 DDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000423724579 420142278 /nfs/dbraw/zinc/14/22/78/420142278.db2.gz RTDJFAMUWBSEQZ-VXGBXAGGSA-N 1 0 318.377 1.639 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@](C)(C[NH3+])C(C)C ZINC000430548558 420134596 /nfs/dbraw/zinc/13/45/96/420134596.db2.gz CDHJZEJIVRLDFR-HNNXBMFYSA-N 1 0 308.382 1.805 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000423718652 420141256 /nfs/dbraw/zinc/14/12/56/420141256.db2.gz LMXAGPNCFYFCAN-ZDUSSCGKSA-N 1 0 320.393 1.153 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@]2(CNC(=O)C2)C1 ZINC000430195580 420088077 /nfs/dbraw/zinc/08/80/77/420088077.db2.gz OGEZMTRRFGBXBV-MRXNPFEDSA-N 1 0 319.361 1.706 20 5 DDBDRO CCCC[C@H](C[NH3+])NC(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000415491900 420088947 /nfs/dbraw/zinc/08/89/47/420088947.db2.gz DVORXZLZTHEVLW-GFCCVEGCSA-N 1 0 322.365 1.475 20 5 DDBDRO C[C@@H]1CC[NH2+][C@H](C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)C1 ZINC000423823646 420209116 /nfs/dbraw/zinc/20/91/16/420209116.db2.gz IMHGZNFIOKAFDE-YGRLFVJLSA-N 1 0 304.350 1.263 20 5 DDBDRO C[NH2+]C1CCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000430935377 420213819 /nfs/dbraw/zinc/21/38/19/420213819.db2.gz PYJNXJBKEIZOCR-OAHLLOKOSA-N 1 0 318.377 1.384 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000415690905 420148413 /nfs/dbraw/zinc/14/84/13/420148413.db2.gz MUKITYUIGFVTFM-OAHLLOKOSA-N 1 0 320.349 1.039 20 5 DDBDRO CN(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C1CC[NH2+]CC1 ZINC000430641583 420167461 /nfs/dbraw/zinc/16/74/61/420167461.db2.gz MHFYPHZIFOAORT-UHFFFAOYSA-N 1 0 306.366 1.241 20 5 DDBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430968241 420228696 /nfs/dbraw/zinc/22/86/96/420228696.db2.gz WGKHPBMPFYKHBO-UHIISALHSA-N 1 0 306.366 1.591 20 5 DDBDRO C[C@H]1[C@@H]([NH3+])CCN1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000420365888 420238575 /nfs/dbraw/zinc/23/85/75/420238575.db2.gz QLVXVWJWVFFULJ-WPRPVWTQSA-N 1 0 312.757 1.608 20 5 DDBDRO CN(C(=O)c1cc([N+](=O)[O-])nn1C)C(C)(C)C[NH+]1CCCC1 ZINC000416095052 420247415 /nfs/dbraw/zinc/24/74/15/420247415.db2.gz BPILXPLIWTWPTP-UHFFFAOYSA-N 1 0 309.370 1.275 20 5 DDBDRO CN(C(=O)CCNc1ccccc1[N+](=O)[O-])[C@H](C[NH3+])C1CC1 ZINC000423950296 420281280 /nfs/dbraw/zinc/28/12/80/420281280.db2.gz NTDCPDBGRDMRDV-CQSZACIVSA-N 1 0 306.366 1.593 20 5 DDBDRO CN(CC[NH3+])C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000424000026 420300749 /nfs/dbraw/zinc/30/07/49/420300749.db2.gz DPIDCZOTRYLFLM-UHFFFAOYSA-N 1 0 302.128 1.388 20 5 DDBDRO Cc1ccc(S(=O)(=O)N[C@@H](CC[NH3+])C(F)F)c([N+](=O)[O-])c1 ZINC000420464075 420302173 /nfs/dbraw/zinc/30/21/73/420302173.db2.gz OVXAXHKIIBMXLU-QMMMGPOBSA-N 1 0 323.321 1.164 20 5 DDBDRO Cc1sc(S(=O)(=O)NC[C@H]2CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000416496861 420394280 /nfs/dbraw/zinc/39/42/80/420394280.db2.gz RAAAQMPMCPUICL-SECBINFHSA-N 1 0 319.408 1.195 20 5 DDBDRO C[C@H]1CN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000443457871 230013001 /nfs/dbraw/zinc/01/30/01/230013001.db2.gz XSORSKVYBUJDMW-GXFFZTMASA-N 1 0 313.379 1.094 20 5 DDBDRO C[C@@H](CCCC[NH3+])NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000417774264 420475336 /nfs/dbraw/zinc/47/53/36/420475336.db2.gz YWZPWPWKRZETHT-LBPRGKRZSA-N 1 0 308.382 1.954 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCCNc2cc[nH+]cc2)c1 ZINC000439036919 420477172 /nfs/dbraw/zinc/47/71/72/420477172.db2.gz CPZJIJDXKNCCDC-UHFFFAOYSA-N 1 0 300.318 1.562 20 5 DDBDRO Cc1c(C(=O)N2CCN(CCO)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000457101603 420612379 /nfs/dbraw/zinc/61/23/79/420612379.db2.gz YPGLFIASEWDSHD-NSHDSACASA-N 1 0 307.350 1.042 20 5 DDBDRO C[C@H]1CN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@H]1[NH3+] ZINC000447248891 420767611 /nfs/dbraw/zinc/76/76/11/420767611.db2.gz LIQQDFMSXQUJGS-IONNQARKSA-N 1 0 319.770 1.216 20 5 DDBDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000447813631 420804045 /nfs/dbraw/zinc/80/40/45/420804045.db2.gz STZFBLNPCRTPTP-NSHDSACASA-N 1 0 318.381 2.170 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@](C)(C(N)=O)C(C)C ZINC000459474087 420835803 /nfs/dbraw/zinc/83/58/03/420835803.db2.gz FFRGKMGXCRTNCO-OAHLLOKOSA-N 1 0 322.365 1.331 20 5 DDBDRO C[C@H]1CN(CCO)CCN1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000493392996 420836409 /nfs/dbraw/zinc/83/64/09/420836409.db2.gz RGDQNIDBGATEGH-LVDDQXARSA-N 1 0 319.361 1.133 20 5 DDBDRO CNc1nc(C(=O)NCC(C)(C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000454368624 420848713 /nfs/dbraw/zinc/84/87/13/420848713.db2.gz OVRCTARWTKQQOO-UHFFFAOYSA-N 1 0 309.370 1.349 20 5 DDBDRO CNc1nc(C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000456019965 421089271 /nfs/dbraw/zinc/08/92/71/421089271.db2.gz IOKUWNFUAOTOEZ-CABZTGNLSA-N 1 0 319.365 1.244 20 5 DDBDRO [NH3+]CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)C(F)(F)F ZINC000449724016 421068814 /nfs/dbraw/zinc/06/88/14/421068814.db2.gz GFRYFGZWLVLEPI-SECBINFHSA-N 1 0 307.228 1.310 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000524180768 421254036 /nfs/dbraw/zinc/25/40/36/421254036.db2.gz BBTCIRJFCXQMEY-UHFFFAOYSA-N 1 0 312.289 1.766 20 5 DDBDRO CC(C)[C@H](CNC(=O)c1c[nH]nc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000562401022 421361088 /nfs/dbraw/zinc/36/10/88/421361088.db2.gz PLDVONYQIYKHDE-ZDUSSCGKSA-N 1 0 323.397 1.804 20 5 DDBDRO C[C@@H]([NH3+])C[C@H](C)NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000563127285 421459581 /nfs/dbraw/zinc/45/95/81/421459581.db2.gz YVQUODGCNYXPHR-MNOVXSKESA-N 1 0 315.395 1.183 20 5 DDBDRO CCc1ccc(S(=O)(=O)N[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000563138007 421461908 /nfs/dbraw/zinc/46/19/08/421461908.db2.gz GIBWZSIUCUPUGW-NSHDSACASA-N 1 0 313.379 1.188 20 5 DDBDRO CC[NH+](CC)[C@H](CNC(=O)c1c[nH]nc1[N+](=O)[O-])CC(C)C ZINC000548954183 421488077 /nfs/dbraw/zinc/48/80/77/421488077.db2.gz JXKYLGBSRHPBAC-NSHDSACASA-N 1 0 311.386 1.804 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000563822698 421546761 /nfs/dbraw/zinc/54/67/61/421546761.db2.gz LWTBUOGIEBVBCA-NSHDSACASA-N 1 0 307.350 1.561 20 5 DDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000518772409 421667009 /nfs/dbraw/zinc/66/70/09/421667009.db2.gz WZHCEUQZPAJXQH-UHFFFAOYSA-N 1 0 318.377 1.781 20 5 DDBDRO CC[N@H+](C)C[C@@H](O)Cn1ccnc1-c1ccc([N+](=O)[O-])cc1 ZINC000570292982 421636289 /nfs/dbraw/zinc/63/62/89/421636289.db2.gz GZPGWFYIPMQSNN-CQSZACIVSA-N 1 0 304.350 1.771 20 5 DDBDRO O=[N+]([O-])c1cccc(-c2cnn(CCN3CC[NH2+]CC3)c2)c1 ZINC000571281860 421703191 /nfs/dbraw/zinc/70/31/91/421703191.db2.gz XAISQODSSZFSRZ-UHFFFAOYSA-N 1 0 301.350 1.364 20 5 DDBDRO COC(=O)CCC1CCN(Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000519069754 421678152 /nfs/dbraw/zinc/67/81/52/421678152.db2.gz FNPBPTWFMSAJPO-UHFFFAOYSA-N 1 0 310.354 1.494 20 5 DDBDRO CC[NH+](CC)CCCNC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000522274914 421822955 /nfs/dbraw/zinc/82/29/55/421822955.db2.gz CXXVRRDFSSMIFX-UHFFFAOYSA-N 1 0 323.393 1.994 20 5 DDBDRO C[C@H]1CN(CCNc2ncnc3cccc([N+](=O)[O-])c32)CCO1 ZINC000542508629 421823809 /nfs/dbraw/zinc/82/38/09/421823809.db2.gz LMVXGFYMDFYKMO-NSHDSACASA-N 1 0 317.349 1.671 20 5 DDBDRO C[NH+](C)CCCCC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000584147471 422268044 /nfs/dbraw/zinc/26/80/44/422268044.db2.gz PNOONTNAAZUUDP-UHFFFAOYSA-N 1 0 321.377 1.916 20 5 DDBDRO C[C@H]1CCC[N@H+](CCCCNc2ccc(N)c([N+](=O)[O-])n2)C1 ZINC000596075742 422362751 /nfs/dbraw/zinc/36/27/51/422362751.db2.gz KHKVRQGOERFOOE-LBPRGKRZSA-N 1 0 307.398 2.496 20 5 DDBDRO C[N@@H+]1CC[C@@H](Nc2ccc(N)c([N+](=O)[O-])n2)[C@H]1c1ccccc1 ZINC000590582373 422320437 /nfs/dbraw/zinc/32/04/37/422320437.db2.gz QUYRIZTUSIZDHK-UKRRQHHQSA-N 1 0 313.361 2.429 20 5 DDBDRO C[C@H](Nc1ccc2ncc([N+](=O)[O-])n2n1)C1CC[NH+](C)CC1 ZINC000599042835 422400445 /nfs/dbraw/zinc/40/04/45/422400445.db2.gz GGBCHLGQQUNJPN-JTQLQIEISA-N 1 0 304.354 1.780 20 5 DDBDRO CC(C)[N@@H+]1CC[C@H](CNc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000314967607 271013992 /nfs/dbraw/zinc/01/39/92/271013992.db2.gz VTBKJEQTIOQRJM-LLVKDONJSA-N 1 0 306.366 1.836 20 5 DDBDRO CNS(=O)(=O)CCC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000341573599 271125230 /nfs/dbraw/zinc/12/52/30/271125230.db2.gz MDOPHVRSXLADDS-SNVBAGLBSA-N 1 0 301.368 1.185 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@]2(CCCOC2)C1 ZINC000341577006 271125948 /nfs/dbraw/zinc/12/59/48/271125948.db2.gz MGTIZMYRDGTDPE-INIZCTEOSA-N 1 0 321.377 1.649 20 5 DDBDRO CC(=O)[C@@H](NC(=O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000341594850 271133250 /nfs/dbraw/zinc/13/32/50/271133250.db2.gz SRKGMJWXIOUBIG-BZNIZROVSA-N 1 0 321.377 1.975 20 5 DDBDRO Cc1cnn(CC[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000341908864 271243625 /nfs/dbraw/zinc/24/36/25/271243625.db2.gz GHHWRWOIDPRLCB-CYBMUJFWSA-N 1 0 316.365 1.681 20 5 DDBDRO COc1ccc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)c(C)c1OC ZINC000342181103 271331714 /nfs/dbraw/zinc/33/17/14/271331714.db2.gz GTKZWBBEXZCCJA-UHFFFAOYSA-N 1 0 320.349 1.907 20 5 DDBDRO CCN(CCO)CC[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000344788819 272118638 /nfs/dbraw/zinc/11/86/38/272118638.db2.gz RRZJZMFXZBWULU-KAMYIIQDSA-N 1 0 307.394 1.902 20 5 DDBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCS(=O)(=O)C1 ZINC000344790480 272119360 /nfs/dbraw/zinc/11/93/60/272119360.db2.gz JDNNYXMECXEMQE-SVTZGKHISA-N 1 0 310.375 1.775 20 5 DDBDRO CN(C)CC[N@H+](C)CCCNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000345361247 272230357 /nfs/dbraw/zinc/23/03/57/272230357.db2.gz ZQOKSHUCVSAXDM-UHFFFAOYSA-N 1 0 308.382 1.208 20 5 DDBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000272601472 274343870 /nfs/dbraw/zinc/34/38/70/274343870.db2.gz HERRHLAHXCIDNP-BXKDBHETSA-N 1 0 304.350 1.390 20 5 DDBDRO O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159325621 275011260 /nfs/dbraw/zinc/01/12/60/275011260.db2.gz JUSDYIVWMDHOFS-PHIMTYICSA-N 1 0 320.305 1.470 20 5 DDBDRO O=[N+]([O-])c1cccc2c1ccnc2N1CC[NH+](CCCO)CC1 ZINC000450295312 275039554 /nfs/dbraw/zinc/03/95/54/275039554.db2.gz XCHHDGSCJBLTNS-UHFFFAOYSA-N 1 0 316.361 1.647 20 5 DDBDRO CNC(=O)C(C)(C)C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000331002873 277222224 /nfs/dbraw/zinc/22/22/24/277222224.db2.gz KLRQNQXEIJFRNC-VXGBXAGGSA-N 1 0 323.397 1.637 20 5 DDBDRO CO[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)[C@H](C[NH3+])C1 ZINC000262366956 277654123 /nfs/dbraw/zinc/65/41/23/277654123.db2.gz XBAZHSDFASEXEN-WDEREUQCSA-N 1 0 311.313 1.312 20 5 DDBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1c1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000286307717 278015600 /nfs/dbraw/zinc/01/56/00/278015600.db2.gz JYJKLUOAKVASTO-YPMHNXCESA-N 1 0 318.377 1.757 20 5 DDBDRO CC[NH+]1CCC(N(C)CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000090551626 281037372 /nfs/dbraw/zinc/03/73/72/281037372.db2.gz YREYXZQGBSXOBC-UHFFFAOYSA-N 1 0 308.382 1.173 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC(C)(C)C[NH+](C)C ZINC000416506076 281262019 /nfs/dbraw/zinc/26/20/19/281262019.db2.gz DUZKGNXIWYMABZ-UHFFFAOYSA-N 1 0 315.395 1.522 20 5 DDBDRO [NH3+][C@H]1CCc2nc(NC(=O)c3ccc([N+](=O)[O-])o3)sc2C1 ZINC000261664876 295342076 /nfs/dbraw/zinc/34/20/76/295342076.db2.gz KWYZVINAXBOKAV-LURJTMIESA-N 1 0 308.319 1.713 20 5 DDBDRO O=c1c(Br)cn(CC[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000574080740 304632101 /nfs/dbraw/zinc/63/21/01/304632101.db2.gz YLFXRNWZYGNBOX-MRVPVSSYSA-N 1 0 316.155 1.519 20 5 DDBDRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000357918990 299019718 /nfs/dbraw/zinc/01/97/18/299019718.db2.gz ZKYZQTFJWIASOF-QWRGUYRKSA-N 1 0 309.370 1.321 20 5 DDBDRO CCO[C@@H]1COCC[C@H]1[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000362016340 299985148 /nfs/dbraw/zinc/98/51/48/299985148.db2.gz AFMVMABLWNPMAH-TZMCWYRMSA-N 1 0 323.349 1.317 20 5 DDBDRO Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000362281198 300043364 /nfs/dbraw/zinc/04/33/64/300043364.db2.gz KMGCMIZVYDUIQR-AWEZNQCLSA-N 1 0 304.354 1.670 20 5 DDBDRO CCC[N@@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])cnc2C)CC1 ZINC000363325317 300251982 /nfs/dbraw/zinc/25/19/82/300251982.db2.gz BWWNMUOWXURHGG-UHFFFAOYSA-N 1 0 306.366 1.856 20 5 DDBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000366969474 300782457 /nfs/dbraw/zinc/78/24/57/300782457.db2.gz LODPPLQRYBXOQR-RYUDHWBXSA-N 1 0 324.356 1.189 20 5 DDBDRO Cc1c(CC(=O)N2CC[C@H]3CC[N@@H+](C)[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000368587740 301058743 /nfs/dbraw/zinc/05/87/43/301058743.db2.gz DRYJEIJFSCZHAM-CZUORRHYSA-N 1 0 317.389 1.998 20 5 DDBDRO Cc1c(C[N@@H+]2CCC[C@H](N3CCNC3=O)C2)cccc1[N+](=O)[O-] ZINC000368804836 301090171 /nfs/dbraw/zinc/09/01/71/301090171.db2.gz JBOBJSACXYEBFU-AWEZNQCLSA-N 1 0 318.377 1.893 20 5 DDBDRO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1Nc1ncc([N+](=O)[O-])cn1 ZINC000376928226 302122243 /nfs/dbraw/zinc/12/22/43/302122243.db2.gz YXJKCTPKUCRFLJ-MRVWCRGKSA-N 1 0 321.381 1.686 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@H]2c2ccccn2)c1 ZINC000530963066 303222638 /nfs/dbraw/zinc/22/26/38/303222638.db2.gz BJBIZILWCHPDFY-HIFRSBDPSA-N 1 0 317.349 1.384 20 5 DDBDRO C[NH+](C)Cc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cn2)cc1 ZINC000532146092 303277531 /nfs/dbraw/zinc/27/75/31/303277531.db2.gz COXNKNOKAPGDLF-UHFFFAOYSA-N 1 0 314.345 1.981 20 5 DDBDRO O=[N+]([O-])c1ccc(F)cc1N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000364191282 307043213 /nfs/dbraw/zinc/04/32/13/307043213.db2.gz RTNHXBBSBOPFGP-HIFRSBDPSA-N 1 0 309.341 1.769 20 5 DDBDRO O=C(c1ccc([N+](=O)[O-])cn1)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000364978739 307055817 /nfs/dbraw/zinc/05/58/17/307055817.db2.gz IVFQZDURTNVURQ-WCQYABFASA-N 1 0 304.350 1.594 20 5 DDBDRO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCO[C@H]2C[NH2+]C[C@H]21 ZINC000367188195 307088460 /nfs/dbraw/zinc/08/84/60/307088460.db2.gz UKOHBCWNPNSJQR-NEPJUHHUSA-N 1 0 311.725 1.061 20 5 DDBDRO O=C(CC[N@H+]1C[C@H](O)C2(CC2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000372903863 307175959 /nfs/dbraw/zinc/17/59/59/307175959.db2.gz QGJHMGXZVAAMKW-ZDUSSCGKSA-N 1 0 323.324 1.519 20 5 DDBDRO COC(=O)c1cc(NC(=O)[C@H]2C[C@]23CC[NH2+]C3)cc([N+](=O)[O-])c1 ZINC000372921355 307176687 /nfs/dbraw/zinc/17/66/87/307176687.db2.gz JMSDCVJNRYCPCL-DOMZBBRYSA-N 1 0 319.317 1.320 20 5 DDBDRO Cc1cc(C2=CC[N@H+](CCOCCO)CC2)cc([N+](=O)[O-])c1N ZINC000374084981 307203116 /nfs/dbraw/zinc/20/31/16/307203116.db2.gz XLZVWNGFQXFYPC-UHFFFAOYSA-N 1 0 321.377 1.583 20 5 DDBDRO O=C1CC[C@H]([NH2+]CCOc2ccccc2[N+](=O)[O-])[C@H](C2CC2)N1 ZINC000375336844 307222973 /nfs/dbraw/zinc/22/29/73/307222973.db2.gz KHZNEHUTKJQRLA-LRDDRELGSA-N 1 0 319.361 1.620 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000376643027 307251211 /nfs/dbraw/zinc/25/12/11/307251211.db2.gz MSTRXQXZQSUFFX-BXUZGUMPSA-N 1 0 304.350 1.464 20 5 DDBDRO C[NH+]1CCC(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000530592390 307601893 /nfs/dbraw/zinc/60/18/93/307601893.db2.gz OAWFHUNYMXZRRI-UHFFFAOYSA-N 1 0 307.306 1.148 20 5 DDBDRO CCCN(C(=O)Cc1ccc(OC)c([N+](=O)[O-])c1)[C@@H]1CC[NH2+]C1 ZINC000562975694 307951301 /nfs/dbraw/zinc/95/13/01/307951301.db2.gz RDLUWNQMLQAFNI-CYBMUJFWSA-N 1 0 321.377 1.746 20 5 DDBDRO CC(C)[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000565233511 308026427 /nfs/dbraw/zinc/02/64/27/308026427.db2.gz MXSWYMBAZHCRHD-CYBMUJFWSA-N 1 0 319.365 1.554 20 5 DDBDRO C[N@H+](C[C@@H](O)CNCCOc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000566117001 308043789 /nfs/dbraw/zinc/04/37/89/308043789.db2.gz LJAOSOAPYKYLDO-AWEZNQCLSA-N 1 0 309.366 1.018 20 5 DDBDRO C[N@H+](C[C@@H](O)CNCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CC1 ZINC000566123492 308044651 /nfs/dbraw/zinc/04/46/51/308044651.db2.gz AOVVYQFFGCWJEE-LBPRGKRZSA-N 1 0 319.365 1.016 20 5 DDBDRO C[C@H]1CS(=O)(=O)C[C@H]1[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000567487445 308081975 /nfs/dbraw/zinc/08/19/75/308081975.db2.gz OQUAJKQWVASGTB-TVYUQYBPSA-N 1 0 310.375 1.605 20 5 DDBDRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000567667454 308088632 /nfs/dbraw/zinc/08/86/32/308088632.db2.gz LWHDKIQYGYDOLR-JOYOIKCWSA-N 1 0 321.333 1.094 20 5 DDBDRO Cc1ncc(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)o1 ZINC000567696811 308091830 /nfs/dbraw/zinc/09/18/30/308091830.db2.gz IQBVAYDHDMBZGD-LBPRGKRZSA-N 1 0 307.306 1.421 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CCC[C@H]1CCOC1 ZINC000567696921 308091856 /nfs/dbraw/zinc/09/18/56/308091856.db2.gz KUOKMQHYPQMSGF-KBPBESRZSA-N 1 0 324.377 1.741 20 5 DDBDRO COc1ccc(CC(=O)N[C@H](C)CCCC[NH3+])cc1[N+](=O)[O-] ZINC000571679568 308199880 /nfs/dbraw/zinc/19/98/80/308199880.db2.gz MUXMMSRNXKDDRD-LLVKDONJSA-N 1 0 309.366 1.780 20 5 DDBDRO CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000576253290 308301112 /nfs/dbraw/zinc/30/11/12/308301112.db2.gz KLTLSBLXMGDHNG-GFCCVEGCSA-N 1 0 322.365 1.642 20 5 DDBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NCC1CC[NH2+]CC1 ZINC000577368069 308382575 /nfs/dbraw/zinc/38/25/75/308382575.db2.gz OTRAMTGHKCZDKZ-UHFFFAOYSA-N 1 0 320.393 1.778 20 5 DDBDRO [NH3+]CC[C@H](NC(=O)NCc1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000578968205 308497393 /nfs/dbraw/zinc/49/73/93/308497393.db2.gz GHZRAPKYQLWCIB-JTQLQIEISA-N 1 0 320.271 1.674 20 5 DDBDRO CC1CCC(C)(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000580544336 308612367 /nfs/dbraw/zinc/61/23/67/308612367.db2.gz CMHANOPWQCKSQO-HNFVBEJKSA-N 1 0 310.398 1.958 20 5 DDBDRO Cc1ccccc1CC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000387880048 325767861 /nfs/dbraw/zinc/76/78/61/325767861.db2.gz AWRYYUFZZDLERM-OAHLLOKOSA-N 1 0 304.350 1.293 20 5 DDBDRO C[C@@H](CCc1ccccc1)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000390883233 325784065 /nfs/dbraw/zinc/78/40/65/325784065.db2.gz VLXKJZOLQGSXAN-BBRMVZONSA-N 1 0 318.377 1.763 20 5 DDBDRO CCCc1n[nH]c(C(=O)NC[C@@H](C)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000518328501 325790368 /nfs/dbraw/zinc/79/03/68/325790368.db2.gz DWBQHLLPBHSPMP-SNVBAGLBSA-N 1 0 309.370 1.485 20 5 DDBDRO CO[C@](C)(C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000581544307 325872105 /nfs/dbraw/zinc/87/21/05/325872105.db2.gz XGGMFTWVZUWOJW-CZUORRHYSA-N 1 0 324.377 1.739 20 5 DDBDRO CC(C)[C@H](C(=O)NCCOc1ccc([N+](=O)[O-])cc1)[C@@H](C)[NH3+] ZINC000583434667 332406088 /nfs/dbraw/zinc/40/60/88/332406088.db2.gz ANABZEQRTXSUSG-RISCZKNCSA-N 1 0 309.366 1.709 20 5 DDBDRO COc1ccc(C[NH2+]CCN2CCSCC2)cc1[N+](=O)[O-] ZINC000226247551 490701663 /nfs/dbraw/zinc/70/16/63/490701663.db2.gz HBONAOOSTKACEI-UHFFFAOYSA-N 1 0 311.407 1.742 20 5 DDBDRO COc1ccc(NC(=O)N[C@H]2C[NH2+]CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000415431077 534139003 /nfs/dbraw/zinc/13/90/03/534139003.db2.gz DJMKPGMSTZXPPG-ONGXEEELSA-N 1 0 308.338 1.723 20 5 DDBDRO CC(C)[C@@H]([NH3+])CCN(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000156726513 519796398 /nfs/dbraw/zinc/79/63/98/519796398.db2.gz JGLRDFNWXOCHNU-ZDUSSCGKSA-N 1 0 315.395 1.589 20 5 DDBDRO [NH3+]CCN(CCO)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000414912299 534625841 /nfs/dbraw/zinc/62/58/41/534625841.db2.gz JYGRQEUDWCRNML-UHFFFAOYSA-N 1 0 305.334 1.608 20 5 DDBDRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000417223392 534682629 /nfs/dbraw/zinc/68/26/29/534682629.db2.gz GQFDDXZPOFCMEW-DZGCQCFKSA-N 1 0 320.393 1.954 20 5 DDBDRO CC(C)(C)NC(=O)C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000331017168 526313557 /nfs/dbraw/zinc/31/35/57/526313557.db2.gz PUHVYBUSKTZPPN-RYUDHWBXSA-N 1 0 323.397 1.779 20 5 DDBDRO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)NCC[C@H]1CC[NH2+]C1 ZINC000157644806 527321598 /nfs/dbraw/zinc/32/15/98/527321598.db2.gz QUBSJEJNDPHPOS-SECBINFHSA-N 1 0 317.342 1.012 20 5 DDBDRO CCOC(=O)c1cc(C(=O)NC[C@@H](C)C[NH2+]C)cc([N+](=O)[O-])c1 ZINC000422827852 528147037 /nfs/dbraw/zinc/14/70/37/528147037.db2.gz NSENMUBRIKCGCW-JTQLQIEISA-N 1 0 323.349 1.357 20 5 DDBDRO CCCNC(=O)NC(=O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296684200 528413796 /nfs/dbraw/zinc/41/37/96/528413796.db2.gz ITCYJGNBMKLSHF-JTQLQIEISA-N 1 0 308.338 1.481 20 5 DDBDRO CCOCC[C@@H](O)C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000444657231 528862653 /nfs/dbraw/zinc/86/26/53/528862653.db2.gz KBVXXSFWOBKWDQ-GXTWGEPZSA-N 1 0 324.381 1.264 20 5 DDBDRO CC1(C)CN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000413556152 529098255 /nfs/dbraw/zinc/09/82/55/529098255.db2.gz SJTSBIJJEISIGS-UONOGXRCSA-N 1 0 303.362 1.909 20 5 DDBDRO Nc1ccc(C(=O)NCCCNc2ccccn2)cc1[N+](=O)[O-] ZINC000115161663 696664203 /nfs/dbraw/zinc/66/42/03/696664203.db2.gz AOYXWZSMEWPNQQ-UHFFFAOYSA-N 1 0 315.333 1.804 20 5 DDBDRO COc1cc(C[NH2+]CCC[S@@](C)=O)c([N+](=O)[O-])cc1OC ZINC000116918675 696669076 /nfs/dbraw/zinc/66/90/76/696669076.db2.gz BPJCVIYJYRFQCP-NRFANRHFSA-N 1 0 316.379 1.470 20 5 DDBDRO CN(CC[NH+]1CCCC1)S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000119713448 696684200 /nfs/dbraw/zinc/68/42/00/696684200.db2.gz OAICNPJEIQOUCJ-UHFFFAOYSA-N 1 0 319.408 1.373 20 5 DDBDRO CC[C@](C)(CC(=O)OC)[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000134077881 696833427 /nfs/dbraw/zinc/83/34/27/696833427.db2.gz IYRFHGPUKOOYHH-OAHLLOKOSA-N 1 0 323.349 1.515 20 5 DDBDRO C[C@@H]([NH3+])[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CCO1 ZINC000156431229 696962949 /nfs/dbraw/zinc/96/29/49/696962949.db2.gz GMXGCFCCKREMFH-PRHODGIISA-N 1 0 313.741 1.436 20 5 DDBDRO CC[S@](=O)CC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000774182040 697852488 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Cn1ccnc1[C@@H](N[C@H]1CC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000780765202 698558533 /nfs/dbraw/zinc/55/85/33/698558533.db2.gz WYDDVCKNDXLRGL-ZFWWWQNUSA-N 1 0 315.377 1.711 20 5 DDBDRO C[C@H](CNc1ccc([N+](=O)[O-])cc1C(=O)NC1CC1)[NH+](C)C ZINC000785779239 699101374 /nfs/dbraw/zinc/10/13/74/699101374.db2.gz ODMWDBQPQYPTMG-SNVBAGLBSA-N 1 0 306.366 1.849 20 5 DDBDRO COCC[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000786193006 699133543 /nfs/dbraw/zinc/13/35/43/699133543.db2.gz VYNCWUNIDXTWLO-HUUCEWRRSA-N 1 0 310.350 1.366 20 5 DDBDRO CN(CC(=O)N1CC[C@]2(CCC[NH2+]2)C1)c1ccccc1[N+](=O)[O-] ZINC000424021228 699147450 /nfs/dbraw/zinc/14/74/50/699147450.db2.gz BBPAHKZFQGQDFA-MRXNPFEDSA-N 1 0 318.377 1.386 20 5 DDBDRO COC(=O)COc1ccc(C[NH2+][C@H](CO)C2CC2)cc1[N+](=O)[O-] ZINC000788966321 699351187 /nfs/dbraw/zinc/35/11/87/699351187.db2.gz XKHKTNZJZNUSHQ-GFCCVEGCSA-N 1 0 324.333 1.007 20 5 DDBDRO COC[C@@](C)(CC(=O)OC)[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000801523426 700317107 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317.389 1.605 20 5 DDBDRO CC(C)[N@H+](C)C[C@@H](C)NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000810091407 701727673 /nfs/dbraw/zinc/72/76/73/701727673.db2.gz SUUDTWUZZNRPJA-SECBINFHSA-N 1 0 321.424 1.663 20 5 DDBDRO C[NH+](C)CCn1ccc2ccc(NC(=O)[C@@H]3CC3[N+](=O)[O-])cc21 ZINC000839687467 701784383 /nfs/dbraw/zinc/78/43/83/701784383.db2.gz GNBUBNOREIDPGR-UKRRQHHQSA-N 1 0 316.361 1.807 20 5 DDBDRO CO[C@@H]1C[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@](C)(CO)C1 ZINC000879262749 706633428 /nfs/dbraw/zinc/63/34/28/706633428.db2.gz ZIIGSPRBXDKZJZ-KKUMJFAQSA-N 1 0 310.350 1.100 20 5 DDBDRO C[C@@H]1CN(Cn2cc([N+](=O)[O-])cn2)CC[N@@H+]1Cc1ccccc1 ZINC000840179366 702015663 /nfs/dbraw/zinc/01/56/63/702015663.db2.gz RBXMSAWBLNSXOK-CQSZACIVSA-N 1 0 315.377 1.955 20 5 DDBDRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)Cc2cccc(F)c2[N+](=O)[O-])C1 ZINC000868519330 702173954 /nfs/dbraw/zinc/17/39/54/702173954.db2.gz AOSYIMLSSGVSQW-AAEUAGOBSA-N 1 0 307.325 1.439 20 5 DDBDRO O=C(Cc1ncc[nH]1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 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RZYIPZKYNBCTOM-CMPLNLGQSA-N 1 0 309.341 1.781 20 5 DDBDRO CC[C@H]([NH3+])CNC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000842007409 702653842 /nfs/dbraw/zinc/65/38/42/702653842.db2.gz PKVDSIMGBDVKMM-LBPRGKRZSA-N 1 0 321.381 1.164 20 5 DDBDRO Cc1cc(S(=O)(=O)N[C@@H](C)C[C@@H](C)[NH3+])cc([N+](=O)[O-])c1F ZINC000842915887 702790901 /nfs/dbraw/zinc/79/09/01/702790901.db2.gz WBXPYLASRRNQJK-BDAKNGLRSA-N 1 0 319.358 1.446 20 5 DDBDRO C[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H](O)C(F)(F)F ZINC000843060018 702810319 /nfs/dbraw/zinc/81/03/19/702810319.db2.gz QSJZRVXVQATLRC-SWPVVBRQSA-N 1 0 308.256 1.530 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H](CO)CC(F)(F)F)c1 ZINC000843086729 702816080 /nfs/dbraw/zinc/81/60/80/702816080.db2.gz HNMZODYMYLALTI-GXSJLCMTSA-N 1 0 308.256 1.531 20 5 DDBDRO CC[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H](O)C(F)(F)F ZINC000843090484 702816941 /nfs/dbraw/zinc/81/69/41/702816941.db2.gz XFFRKSHDBIBMQS-SRVKXCTJSA-N 1 0 322.283 1.920 20 5 DDBDRO CC[NH2+]CCCNC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000843311795 702858078 /nfs/dbraw/zinc/85/80/78/702858078.db2.gz ZERKATVTTGZUKY-UHFFFAOYSA-N 1 0 310.310 1.541 20 5 DDBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000843371013 702868391 /nfs/dbraw/zinc/86/83/91/702868391.db2.gz BCGWQWJHZBYGMJ-PJXYFTJBSA-N 1 0 309.753 1.672 20 5 DDBDRO CCCN(C(=O)c1cc([N+](=O)[O-])ccc1N)[C@H]1CC[N@H+](C)C1 ZINC000843990490 702949821 /nfs/dbraw/zinc/94/98/21/702949821.db2.gz UJIAOJWEFMDGRR-LBPRGKRZSA-N 1 0 306.366 1.733 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[N@H+](C)[C@H](C)C2)c1 ZINC000844314199 703011335 /nfs/dbraw/zinc/01/13/35/703011335.db2.gz RYXZFKRJSDNEME-LLVKDONJSA-N 1 0 307.350 1.517 20 5 DDBDRO C[C@H](CO)C1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000844417150 703028713 /nfs/dbraw/zinc/02/87/13/703028713.db2.gz SGDAPMVSDOECJN-MLGOLLRUSA-N 1 0 308.378 1.969 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H](CO)CCF)CC2)cc1 ZINC000846097698 703237616 /nfs/dbraw/zinc/23/76/16/703237616.db2.gz LKVOVVQGZNMVNA-ZDUSSCGKSA-N 1 0 311.357 1.874 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCCC1CC[NH2+]CC1 ZINC000846698741 703320172 /nfs/dbraw/zinc/32/01/72/703320172.db2.gz CKZKBQKGOVGEAX-UHFFFAOYSA-N 1 0 320.393 1.780 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1-c1noc([C@H]2C[C@@]23CCC[NH2+]C3)n1 ZINC000848629271 703570227 /nfs/dbraw/zinc/57/02/27/703570227.db2.gz YQTXUWDKRXXWAR-AMIZOPFISA-N 1 0 304.310 1.235 20 5 DDBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000866678629 706762192 /nfs/dbraw/zinc/76/21/92/706762192.db2.gz DGOFVMGMOFYKCC-YWVKMMECSA-N 1 0 324.768 1.621 20 5 DDBDRO CCO[C@H](CNC(=O)c1c(C)cccc1[N+](=O)[O-])C[NH+](C)C ZINC000831722938 706762644 /nfs/dbraw/zinc/76/26/44/706762644.db2.gz BXDJPRHTXWFWQO-GFCCVEGCSA-N 1 0 309.366 1.600 20 5 DDBDRO COC[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CCOCC1 ZINC000852321461 704012151 /nfs/dbraw/zinc/01/21/51/704012151.db2.gz OIVKOBWKZXLACW-JKSUJKDBSA-N 1 0 324.377 1.659 20 5 DDBDRO COc1ccc(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)cn1 ZINC000818943936 704031596 /nfs/dbraw/zinc/03/15/96/704031596.db2.gz CEISERXUTDTOKJ-CQSZACIVSA-N 1 0 303.318 1.822 20 5 DDBDRO CC(C)(C)NC(=O)CC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819012440 704051572 /nfs/dbraw/zinc/05/15/72/704051572.db2.gz FIOCOJPXAQYSDP-CYBMUJFWSA-N 1 0 309.366 1.523 20 5 DDBDRO CCc1cc(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])[nH]n1 ZINC000819052759 704059720 /nfs/dbraw/zinc/05/97/20/704059720.db2.gz DNTAQEDPNUUJAV-ZDUSSCGKSA-N 1 0 320.349 1.410 20 5 DDBDRO O=C1CC[C@@H]2C[N@H+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)CC[C@H]2N1 ZINC000852495719 704062238 /nfs/dbraw/zinc/06/22/38/704062238.db2.gz MTMYJOHZMGXXQE-BPLDGKMQSA-N 1 0 319.361 1.229 20 5 DDBDRO CON(C)C(=O)CC[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000819092157 704069014 /nfs/dbraw/zinc/06/90/14/704069014.db2.gz SRCVAVSTOWAASC-UHFFFAOYSA-N 1 0 309.366 1.917 20 5 DDBDRO C[C@@H](C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)CN1CCOCC1 ZINC000819090541 704069057 /nfs/dbraw/zinc/06/90/57/704069057.db2.gz WUWMHXTWXASVLG-XJKSGUPXSA-N 1 0 323.393 1.186 20 5 DDBDRO [NH3+]CC12CC(C1)CN2CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000852756421 704116329 /nfs/dbraw/zinc/11/63/29/704116329.db2.gz IMUJSNYEQOKWAG-UHFFFAOYSA-N 1 0 324.768 1.610 20 5 DDBDRO O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCOC2(C[NH2+]C2)C1 ZINC000853246029 704224026 /nfs/dbraw/zinc/22/40/26/704224026.db2.gz QPBFTDRNFLQQOY-UHFFFAOYSA-N 1 0 311.725 1.063 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(N2CCC(CO)([NH2+]C(C)C)CC2)n1 ZINC000853657762 704294476 /nfs/dbraw/zinc/29/44/76/704294476.db2.gz WXJDZNAZWNPHDT-UHFFFAOYSA-N 1 0 308.382 1.628 20 5 DDBDRO CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)C[C@H](C)[NH2+]1 ZINC000856408598 704527304 /nfs/dbraw/zinc/52/73/04/704527304.db2.gz OLSKXCKTUAYAQQ-DTWKUNHWSA-N 1 0 310.329 1.529 20 5 DDBDRO Cc1cc(F)cc(C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)c1[N+](=O)[O-] ZINC000857008310 704546924 /nfs/dbraw/zinc/54/69/24/704546924.db2.gz GQROKXJULFFJTH-BONVTDFDSA-N 1 0 307.325 1.996 20 5 DDBDRO C[C@H]([NH3+])CCNC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000857113886 704552592 /nfs/dbraw/zinc/55/25/92/704552592.db2.gz JVRZZPVGBQJPGD-LBPRGKRZSA-N 1 0 321.381 1.164 20 5 DDBDRO [NH3+]C[C@H]1CCN(C(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)C1 ZINC000857764069 704621721 /nfs/dbraw/zinc/62/17/21/704621721.db2.gz GRNPKVZMAJXCMH-SECBINFHSA-N 1 0 315.276 1.374 20 5 DDBDRO C[C@H]([NH3+])CCNC(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857764266 704621787 /nfs/dbraw/zinc/62/17/87/704621787.db2.gz NWGPUBQAZVIFDD-QMMMGPOBSA-N 1 0 303.265 1.420 20 5 DDBDRO CO[C@@]1(C(F)(F)F)CC[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000880309051 706936253 /nfs/dbraw/zinc/93/62/53/706936253.db2.gz LRBCLHQURMLASF-NSHDSACASA-N 1 0 322.287 1.753 20 5 DDBDRO COC(=O)Cc1ccc(N2C[C@@H](C)[NH2+][C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000858631706 704737536 /nfs/dbraw/zinc/73/75/36/704737536.db2.gz JESQMWWBEYTXJD-PHIMTYICSA-N 1 0 307.350 1.497 20 5 DDBDRO O=C(CC[N@H+]1CC=C[C@H]1CO)Nc1cc([N+](=O)[O-])ccc1F ZINC000880488786 706992465 /nfs/dbraw/zinc/99/24/65/706992465.db2.gz MAXCSNSEVZQFHI-NSHDSACASA-N 1 0 309.297 1.295 20 5 DDBDRO C[C@@H]1C[N@@H+](CCCNC(=O)CCC(C)(C)[N+](=O)[O-])C[C@H](C)O1 ZINC000822314404 704915172 /nfs/dbraw/zinc/91/51/72/704915172.db2.gz UWHPIUFNYFSIGS-BETUJISGSA-N 1 0 315.414 1.437 20 5 DDBDRO O=[N+]([O-])c1ccc(Cc2nc(N3CC[NH2+]CC3)no2)c(Cl)c1 ZINC000823310175 705203236 /nfs/dbraw/zinc/20/32/36/705203236.db2.gz URMXYOYZNQSBSM-UHFFFAOYSA-N 1 0 323.740 1.632 20 5 DDBDRO C[NH+](C)C[C@H]1CCc2ccccc2N1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000823904901 705337932 /nfs/dbraw/zinc/33/79/32/705337932.db2.gz BRWSGIMSXZOLNN-UMVBOHGHSA-N 1 0 303.362 1.561 20 5 DDBDRO CO[C@@H]1COCC[C@@H]1C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834880457 707145836 /nfs/dbraw/zinc/14/58/36/707145836.db2.gz BLXLBCABPZKJPG-JVLSTEMRSA-N 1 0 309.366 1.879 20 5 DDBDRO CC1(C)[NH2+]CC[C@@H]1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000825249911 705633578 /nfs/dbraw/zinc/63/35/78/705633578.db2.gz QUBJUTNLZDPTJG-NSHDSACASA-N 1 0 308.294 1.373 20 5 DDBDRO O=C(/C=C/[C@@H]1CCC[NH2+]C1)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000876563505 705759825 /nfs/dbraw/zinc/75/98/25/705759825.db2.gz JNIBZRKJRNUWNP-UTPRNQHHSA-N 1 0 318.377 1.679 20 5 DDBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@@H](N)C[NH+](C)C ZINC000876568667 705762572 /nfs/dbraw/zinc/76/25/72/705762572.db2.gz OMUNMJAYNHJSFL-LBPRGKRZSA-N 1 0 314.773 1.096 20 5 DDBDRO C[C@@H](C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)N1CCCCC1 ZINC000876956993 705938250 /nfs/dbraw/zinc/93/82/50/705938250.db2.gz PZCKRYJVKUHRAG-HSBZDZAISA-N 1 0 307.398 1.959 20 5 DDBDRO CCN(CC[NH3+])[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000863550640 705955398 /nfs/dbraw/zinc/95/53/98/705955398.db2.gz CKLIPMHOHHRPHP-VIFPVBQESA-N 1 0 314.773 1.856 20 5 DDBDRO COc1cc(CN(C)C[C@@H](C)[NH3+])c([N+](=O)[O-])cc1OC(F)F ZINC000863568556 705960534 /nfs/dbraw/zinc/96/05/34/705960534.db2.gz LKFKGNFHAUAUID-MRVPVSSYSA-N 1 0 319.308 1.984 20 5 DDBDRO COC(=O)C1=CC[C@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000863572306 705961399 /nfs/dbraw/zinc/96/13/99/705961399.db2.gz NFWNZQSWROJFKL-JSGCOSHPSA-N 1 0 306.318 1.480 20 5 DDBDRO COc1cccc(C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000827265997 705963858 /nfs/dbraw/zinc/96/38/58/705963858.db2.gz JKJMPYWRRUFQBX-DGCLKSJQSA-N 1 0 319.361 1.770 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000827297889 705970735 /nfs/dbraw/zinc/97/07/35/705970735.db2.gz HNVKQNOYTMYAAQ-GHMZBOCLSA-N 1 0 321.381 1.608 20 5 DDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@@H](CO)c3ccccc3)C2)c1 ZINC000877073895 705977356 /nfs/dbraw/zinc/97/73/56/705977356.db2.gz VICGAYSLXZFRMW-NFOMZHRRSA-N 1 0 316.361 1.861 20 5 DDBDRO C/C(=C/C(=O)NCC[N@@H+]1CC[C@H](O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000863833368 706024430 /nfs/dbraw/zinc/02/44/30/706024430.db2.gz PIANAICXVPDSEJ-WQTVUKCASA-N 1 0 319.361 1.181 20 5 DDBDRO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000863833493 706024734 /nfs/dbraw/zinc/02/47/34/706024734.db2.gz QBMUFEZIHUGANZ-WQTVUKCASA-N 1 0 319.361 1.181 20 5 DDBDRO COc1cc(C(=O)N[C@]23CCC[C@@H]2[NH2+]CC3)ccc1[N+](=O)[O-] ZINC000877400713 706096698 /nfs/dbraw/zinc/09/66/98/706096698.db2.gz YGBQOIQCNMPIKY-ZFWWWQNUSA-N 1 0 305.334 1.618 20 5 DDBDRO C[N@@H+]1CCCN(Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000877935166 706244897 /nfs/dbraw/zinc/24/48/97/706244897.db2.gz KVPOFCKLXZCVLN-UHFFFAOYSA-N 1 0 317.349 1.782 20 5 DDBDRO CCC[NH+]1CCN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])CC1 ZINC000865155478 706366063 /nfs/dbraw/zinc/36/60/63/706366063.db2.gz UKRPRWCWYKKBRV-UHFFFAOYSA-N 1 0 309.341 1.831 20 5 DDBDRO COCC[N@H+](C)CCNc1cc(F)c([N+](=O)[O-])cc1CO ZINC000865502226 706448086 /nfs/dbraw/zinc/44/80/86/706448086.db2.gz IPKXBMUTIZERER-UHFFFAOYSA-N 1 0 301.318 1.216 20 5 DDBDRO C[N@@H+]1CCC[C@@H](CNC(=O)Cc2cccc(F)c2[N+](=O)[O-])C1 ZINC000865608593 706476447 /nfs/dbraw/zinc/47/64/47/706476447.db2.gz LLRKTLWETGJQLA-NSHDSACASA-N 1 0 309.341 1.734 20 5 DDBDRO CN(CC1([NH+](C)C)CCC1)C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000830648845 706553130 /nfs/dbraw/zinc/55/31/30/706553130.db2.gz SUCKABUWSHKSSH-AWEZNQCLSA-N 1 0 321.377 1.571 20 5 DDBDRO CCO[C@H](CNC(=O)Nc1ccc(C)c([N+](=O)[O-])c1)C[NH+](C)C ZINC000926826066 712908040 /nfs/dbraw/zinc/90/80/40/712908040.db2.gz WSYJAOBWUIQEKH-CYBMUJFWSA-N 1 0 324.381 1.991 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2C[C@@H]3C[C@H]2CN3c2ccccc2)n1 ZINC000880190197 706906020 /nfs/dbraw/zinc/90/60/20/706906020.db2.gz YOMKCTHRNXTJME-GJZGRUSLSA-N 1 0 313.361 1.754 20 5 DDBDRO CO[C@@H]1COCC[C@@H]1[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000880428832 706972763 /nfs/dbraw/zinc/97/27/63/706972763.db2.gz SLXGGNNUNXYSAF-LSDHHAIUSA-N 1 0 310.350 1.709 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CCC3(CC2)COCCO3)c1 ZINC000880545337 707012156 /nfs/dbraw/zinc/01/21/56/707012156.db2.gz ANFGMLJGEGPJSM-OAHLLOKOSA-N 1 0 322.361 1.510 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH+]2CCC3(CC2)COCCO3)cc1 ZINC000880545541 707012193 /nfs/dbraw/zinc/01/21/93/707012193.db2.gz DQERERNQVCCAHK-OAHLLOKOSA-N 1 0 322.361 1.510 20 5 DDBDRO O=[N+]([O-])c1ccc(C[N@H+]2C[C@@H](O)CC3(CCOCC3)C2)cc1 ZINC000880585225 707027777 /nfs/dbraw/zinc/02/77/77/707027777.db2.gz FSFPIYXVMGDBGZ-HNNXBMFYSA-N 1 0 306.362 1.958 20 5 DDBDRO CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000834640624 707097492 /nfs/dbraw/zinc/09/74/92/707097492.db2.gz AFTRTEYTOXUBLX-RNCFNFMXSA-N 1 0 322.321 1.702 20 5 DDBDRO C[N@@H+]1CC[C@H]2CN(Cn3ncc4cc([N+](=O)[O-])ccc43)CC[C@@H]21 ZINC000872725090 707573351 /nfs/dbraw/zinc/57/33/51/707573351.db2.gz ORLJVDWTQBFOKT-WFASDCNBSA-N 1 0 315.377 1.928 20 5 DDBDRO CNC(=O)c1ccc(N2CC[C@H]3[C@@H]2CCC[N@@H+]3C)c([N+](=O)[O-])c1 ZINC000872781607 707597770 /nfs/dbraw/zinc/59/77/70/707597770.db2.gz VZKYNHHMICEPEL-STQMWFEESA-N 1 0 318.377 1.627 20 5 DDBDRO CC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)C(=O)N1CCOCC1 ZINC000873072864 707719467 /nfs/dbraw/zinc/71/94/67/707719467.db2.gz CQJMLOOPQWUDPS-AWEZNQCLSA-N 1 0 321.377 1.630 20 5 DDBDRO C[NH+](C)CCC[C@@H]1CN(c2ccnc(F)c2[N+](=O)[O-])CCO1 ZINC000882639231 707727959 /nfs/dbraw/zinc/72/79/59/707727959.db2.gz ASRYYOFMQYUHEU-LLVKDONJSA-N 1 0 312.345 1.676 20 5 DDBDRO O=[N+]([O-])c1cnc(N2CCC[C@H]([NH2+]C3CCOCC3)C2)s1 ZINC000882726116 707762691 /nfs/dbraw/zinc/76/26/91/707762691.db2.gz KCSVFCBVSUTDLB-NSHDSACASA-N 1 0 312.395 1.789 20 5 DDBDRO Cc1cc(NCC[N@@H+](C)CCOCCO)c(F)cc1[N+](=O)[O-] ZINC000882951183 707867443 /nfs/dbraw/zinc/86/74/43/707867443.db2.gz SGXPQTGSETWLMY-UHFFFAOYSA-N 1 0 315.345 1.395 20 5 DDBDRO CC[N@@H+]1CC[C@H]1CNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000882960625 707873767 /nfs/dbraw/zinc/87/37/67/707873767.db2.gz QDWGREATYHRWAH-VIFPVBQESA-N 1 0 306.322 1.432 20 5 DDBDRO Cn1cc(C[C@@H]2CC[N@H+](Cc3cccnc3[N+](=O)[O-])C2)cn1 ZINC000886030127 708685215 /nfs/dbraw/zinc/68/52/15/708685215.db2.gz GWKBFGCEBCBNCQ-LBPRGKRZSA-N 1 0 301.350 1.788 20 5 DDBDRO COc1ccc(C(=O)N2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)cc1[N+](=O)[O-] ZINC000887939201 709173585 /nfs/dbraw/zinc/17/35/85/709173585.db2.gz URUXTWPISIZTCA-BLLLJJGKSA-N 1 0 319.361 1.627 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@H](O)COCC2CC2)cc1 ZINC000912762131 713087663 /nfs/dbraw/zinc/08/76/63/713087663.db2.gz BXZDZTZDDGGZSK-GJZGRUSLSA-N 1 0 310.350 1.005 20 5 DDBDRO O=C(CCc1ccccc1)N1CCC([NH2+]CC[N+](=O)[O-])CC1 ZINC000899870215 709222885 /nfs/dbraw/zinc/22/28/85/709222885.db2.gz GJQCMXCONQRAJS-UHFFFAOYSA-N 1 0 305.378 1.477 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C1C[NH+](C2CCOCC2)C1 ZINC000899911606 709234957 /nfs/dbraw/zinc/23/49/57/709234957.db2.gz RTGKAPJETJYLKA-UHFFFAOYSA-N 1 0 319.361 1.953 20 5 DDBDRO C[C@H](NC(=O)C[C@@]1(O)CCC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000900267394 709512704 /nfs/dbraw/zinc/51/27/04/709512704.db2.gz FHEOPOIWAPHJJS-LRDDRELGSA-N 1 0 321.377 1.619 20 5 DDBDRO CN(CC(C)(C)C[NH+](C)C)C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000890882555 710020286 /nfs/dbraw/zinc/02/02/86/710020286.db2.gz PQUYPYYDVDEZIQ-UHFFFAOYSA-N 1 0 308.382 1.837 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000891499866 710220392 /nfs/dbraw/zinc/22/03/92/710220392.db2.gz RBKHNZMZGFOYAI-CYBMUJFWSA-N 1 0 303.366 1.913 20 5 DDBDRO C[NH2+]C[C@H]1CCCCN1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000891608357 710247124 /nfs/dbraw/zinc/24/71/24/710247124.db2.gz VIQPEFLHCCOFQS-CQSZACIVSA-N 1 0 320.393 1.921 20 5 DDBDRO C[C@@H](NC(=O)N[C@H]1CC[NH2+]C[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000892092654 710370509 /nfs/dbraw/zinc/37/05/09/710370509.db2.gz KVCZYBPVWLDZRA-LOWVWBTDSA-N 1 0 306.366 1.953 20 5 DDBDRO C[NH+]1C[C@]2(C)CN(C(=O)Cc3ccccc3[N+](=O)[O-])C[C@@]2(C)C1 ZINC000913295449 713194108 /nfs/dbraw/zinc/19/41/08/713194108.db2.gz UBFYWQAANJSOGT-IAGOWNOFSA-N 1 0 317.389 1.938 20 5 DDBDRO CC[N@@H+]1CC[C@H]1CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000893872084 710866955 /nfs/dbraw/zinc/86/69/55/710866955.db2.gz ONWPJBKXHDNZDG-VIFPVBQESA-N 1 0 307.306 1.148 20 5 DDBDRO COC(=O)c1cc(C)nc(N2CC[C@H]3C[N@H+](C)C[C@@H]32)c1[N+](=O)[O-] ZINC000893942027 710894818 /nfs/dbraw/zinc/89/48/18/710894818.db2.gz YQFCSHAPEIVHQU-JQWIXIFHSA-N 1 0 320.349 1.225 20 5 DDBDRO [NH3+]CC1CCN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000911670919 710919511 /nfs/dbraw/zinc/91/95/11/710919511.db2.gz RFQJYFHQBNGXDE-UHFFFAOYSA-N 1 0 309.341 1.864 20 5 DDBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1CCN1C ZINC000903321976 711095657 /nfs/dbraw/zinc/09/56/57/711095657.db2.gz FEMHYJLDJDQLNK-RISCZKNCSA-N 1 0 306.366 1.606 20 5 DDBDRO COc1ccc(OCCN[C@@H]2CC[NH2+]C23CCC3)c([N+](=O)[O-])c1 ZINC000903471871 711137706 /nfs/dbraw/zinc/13/77/06/711137706.db2.gz VIIVXGTYRBPEDO-OAHLLOKOSA-N 1 0 321.377 1.856 20 5 DDBDRO CC1(C)CN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@@H]1[NH3+] ZINC000903556442 711192985 /nfs/dbraw/zinc/19/29/85/711192985.db2.gz ZOFUHZVUBXJREI-KGLIPLIRSA-N 1 0 318.377 1.369 20 5 DDBDRO C[C@H]1[NH2+]CCn2c(C(=O)NCc3ccccc3[N+](=O)[O-])ccc21 ZINC000912255836 711248461 /nfs/dbraw/zinc/24/84/61/711248461.db2.gz PNWKQIPUOVXMIC-LLVKDONJSA-N 1 0 314.345 1.991 20 5 DDBDRO COc1c(O)ccc(C[N@@H+]2CC[C@H](CCCO)C2)c1[N+](=O)[O-] ZINC000894797602 711275175 /nfs/dbraw/zinc/27/51/75/711275175.db2.gz NTLHPZWDZXLSGK-NSHDSACASA-N 1 0 310.350 1.903 20 5 DDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000894799778 711275739 /nfs/dbraw/zinc/27/57/39/711275739.db2.gz ALQNFBSKHVKVPM-GJZGRUSLSA-N 1 0 307.398 1.898 20 5 DDBDRO Cn1cc(CN2CCCC[C@@H]2C2(C[NH3+])CCC2)c([N+](=O)[O-])n1 ZINC000903812489 711288842 /nfs/dbraw/zinc/28/88/42/711288842.db2.gz ULDIFFKTPRDCTG-CYBMUJFWSA-N 1 0 307.398 1.812 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1N1CCCN(c2cc[nH+]cc2)CC1 ZINC000894996058 711356821 /nfs/dbraw/zinc/35/68/21/711356821.db2.gz AHSNODFKAGTVFW-UHFFFAOYSA-N 1 0 302.338 1.440 20 5 DDBDRO C[NH+](C)C[C@]1(O)CCN(c2nc3c(cc2[N+](=O)[O-])CCCC3)C1 ZINC000895009915 711365610 /nfs/dbraw/zinc/36/56/10/711365610.db2.gz HLAWWDWCDAGSIX-MRXNPFEDSA-N 1 0 320.393 1.371 20 5 DDBDRO CC[N@H+]1[C@H](C)CN(c2ncc(C(=O)OC)cc2[N+](=O)[O-])C[C@@H]1C ZINC000895099617 711410615 /nfs/dbraw/zinc/41/06/15/711410615.db2.gz KMYRCGIPMVTQIW-PHIMTYICSA-N 1 0 322.365 1.695 20 5 DDBDRO C[C@@H]1[C@@H](Nc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)CC[N@@H+]1C ZINC000895735272 711590328 /nfs/dbraw/zinc/59/03/28/711590328.db2.gz CBRDJOPBCDHFMI-RQJHMYQMSA-N 1 0 307.276 1.852 20 5 DDBDRO COc1c(O)ccc(CN(C)[C@H]2C[NH+]3CCC2CC3)c1[N+](=O)[O-] ZINC000895811804 711613820 /nfs/dbraw/zinc/61/38/20/711613820.db2.gz WFDBMSFZYFQJNY-ZDUSSCGKSA-N 1 0 321.377 1.835 20 5 DDBDRO COC[C@@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)[C@@H]1CCCOC1 ZINC000895859346 711627766 /nfs/dbraw/zinc/62/77/66/711627766.db2.gz PWLXCWOVHALEOZ-XZNOPERXSA-N 1 0 324.381 1.526 20 5 DDBDRO CCO[C@H](CNc1ccc(C(=O)NC)cc1[N+](=O)[O-])C[NH+](C)C ZINC000896118335 711678723 /nfs/dbraw/zinc/67/87/23/711678723.db2.gz SJLHCQDAZZFAEN-GFCCVEGCSA-N 1 0 324.381 1.333 20 5 DDBDRO COc1cc(C(=O)NC23CC[NH+](CC2)C3)c([N+](=O)[O-])cc1OC ZINC000913627135 713271697 /nfs/dbraw/zinc/27/16/97/713271697.db2.gz VZUUMWLABWOTKG-UHFFFAOYSA-N 1 0 321.333 1.190 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCN2C)c1 ZINC000896558121 711751439 /nfs/dbraw/zinc/75/14/39/711751439.db2.gz YDZHAUNCFOVBHJ-DOMZBBRYSA-N 1 0 320.393 1.267 20 5 DDBDRO Cc1cc(C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCN2C)ccc1[N+](=O)[O-] ZINC000896579333 711757505 /nfs/dbraw/zinc/75/75/05/711757505.db2.gz FQBXIXPPYJPYNC-SWLSCSKDSA-N 1 0 320.393 1.267 20 5 DDBDRO C[C@H]1CN(c2ccc(C[NH2+]CC[N+](=O)[O-])cc2F)C[C@H](C)O1 ZINC000905055719 711922290 /nfs/dbraw/zinc/92/22/90/711922290.db2.gz REDWCJSUGZNOFT-RYUDHWBXSA-N 1 0 311.357 1.806 20 5 DDBDRO CC(C)(C)OC(=O)N1CCC[C@](C)(C[NH2+]CC[N+](=O)[O-])C1 ZINC000905209645 711968614 /nfs/dbraw/zinc/96/86/14/711968614.db2.gz REWTZVPWFYWYTR-CQSZACIVSA-N 1 0 301.387 1.890 20 5 DDBDRO Cc1cc(CC[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)nn1C ZINC000905562169 712078512 /nfs/dbraw/zinc/07/85/12/712078512.db2.gz VMCUYYFNDIPEGN-OAHLLOKOSA-N 1 0 304.350 1.502 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)c1 ZINC000905659334 712109274 /nfs/dbraw/zinc/10/92/74/712109274.db2.gz PZYIJCMTIQRVSR-BAGFCZJQSA-N 1 0 320.345 1.100 20 5 DDBDRO C[N@@H+]1C[C@H]2CCN(C(=O)c3cc(Cl)c(N)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000908350609 712749561 /nfs/dbraw/zinc/74/95/61/712749561.db2.gz ZUTSADOXPZLUGX-PRHODGIISA-N 1 0 324.768 1.607 20 5 DDBDRO C[NH+]1CCC(OCC(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000930277814 713791744 /nfs/dbraw/zinc/79/17/44/713791744.db2.gz ZNKJQIKDXNMZPK-UHFFFAOYSA-N 1 0 307.350 1.322 20 5 DDBDRO COc1cccc([C@H]2[C@@H]([NH2+]CC[N+](=O)[O-])CCN2C2CC2)c1 ZINC000930353777 713812172 /nfs/dbraw/zinc/81/21/72/713812172.db2.gz KGWLYTVHIBTOOE-HOTGVXAUSA-N 1 0 305.378 1.839 20 5 DDBDRO CON1CC[C@H]([N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1=O ZINC000930636365 713883647 /nfs/dbraw/zinc/88/36/47/713883647.db2.gz GAKYIBRVBFDQKW-HIFRSBDPSA-N 1 0 319.361 1.937 20 5 DDBDRO C[C@@H]1CC[C@H](C(N)=O)[C@@H](C)[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000930916133 713958284 /nfs/dbraw/zinc/95/82/84/713958284.db2.gz NJSYFAHHVAZXLF-JMSVASOKSA-N 1 0 321.377 1.948 20 5 DDBDRO CCOc1cc(CN2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)ccc1[N+](=O)[O-] ZINC000931276809 714054738 /nfs/dbraw/zinc/05/47/38/714054738.db2.gz DYKPNADLEJBOFQ-VIKVFOODSA-N 1 0 305.378 1.985 20 5 DDBDRO C[C@](CO)([NH2+]C[C@@H]1C[C@H]2COC[C@H]2O1)c1cccc([N+](=O)[O-])c1 ZINC000931471461 714105572 /nfs/dbraw/zinc/10/55/72/714105572.db2.gz RMQKSAPTBHZMMB-DANNLKNASA-N 1 0 322.361 1.196 20 5 DDBDRO COc1ccc(C[NH2+][C@H]2C[C@H](O)C23CCOCC3)cc1[N+](=O)[O-] ZINC000923022272 714216397 /nfs/dbraw/zinc/21/63/97/714216397.db2.gz YKWVUXIMDXIEHQ-GJZGRUSLSA-N 1 0 322.361 1.623 20 5 DDBDRO C[C@@H]([NH2+]CC(=O)NCc1ccccn1)c1ccc([N+](=O)[O-])cc1 ZINC000932179461 714280207 /nfs/dbraw/zinc/28/02/07/714280207.db2.gz HWLSGTISBYHKOK-GFCCVEGCSA-N 1 0 314.345 1.957 20 5 DDBDRO C[NH2+]C[C@H]1CCCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000923281112 714295806 /nfs/dbraw/zinc/29/58/06/714295806.db2.gz DTGMELIDBOCADU-HIFRSBDPSA-N 1 0 323.393 1.266 20 5 DDBDRO [NH3+][C@H]1CCN(Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000923281404 714296137 /nfs/dbraw/zinc/29/61/37/714296137.db2.gz NEYPCGJXAYQFOH-VIFPVBQESA-N 1 0 300.156 1.890 20 5 DDBDRO COC(C)(C)[C@H](C)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000932366252 714318141 /nfs/dbraw/zinc/31/81/41/714318141.db2.gz AURXGQONTQWXTO-WCQYABFASA-N 1 0 312.366 1.738 20 5 DDBDRO CC(C)[C@@H]1C[NH2+]CCN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000923397497 714341412 /nfs/dbraw/zinc/34/14/12/714341412.db2.gz COFIZBLGWKNYBG-ZFWWWQNUSA-N 1 0 323.393 1.264 20 5 DDBDRO C[C@@H]1[C@H](C)[NH2+]C[C@H](C)N1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000923437195 714355087 /nfs/dbraw/zinc/35/50/87/714355087.db2.gz WNRGBTNLKQDSTA-XPCVCDNBSA-N 1 0 323.393 1.405 20 5 DDBDRO NC(=O)[C@]12CCC[C@H]1C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)C2 ZINC000933754596 714664660 /nfs/dbraw/zinc/66/46/60/714664660.db2.gz HKRKDAUUICYYHV-NHYWBVRUSA-N 1 0 307.325 1.821 20 5 DDBDRO CON(C)C(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000934045310 714731665 /nfs/dbraw/zinc/73/16/65/714731665.db2.gz LRUOAADRPRXOMJ-UHFFFAOYSA-N 1 0 323.353 1.372 20 5 DDBDRO O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@@H]3[C@@H]2CCCN3CCO)cc1 ZINC000934259194 714778387 /nfs/dbraw/zinc/77/83/87/714778387.db2.gz HHRNWSJIZRUSNC-DLBZAZTESA-N 1 0 319.405 1.668 20 5 DDBDRO Cc1cc(Cl)nc(N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)c1[N+](=O)[O-] ZINC001164665837 719384489 /nfs/dbraw/zinc/38/44/89/719384489.db2.gz IWTBKWUDDFDAPD-NXEZZACHSA-N 1 0 312.757 1.471 20 5 DDBDRO C[N@@H+]1CCO[C@@H]2CN(c3ncnc4ccc([N+](=O)[O-])cc43)C[C@@H]21 ZINC000589604370 719389269 /nfs/dbraw/zinc/38/92/69/719389269.db2.gz XZWBNTJGLXWLND-UONOGXRCSA-N 1 0 315.333 1.057 20 5 DDBDRO C[N@@H+]1CCO[C@H]2CN(c3nccc4cc([N+](=O)[O-])ccc43)C[C@H]21 ZINC000590694492 719482476 /nfs/dbraw/zinc/48/24/76/719482476.db2.gz XDWXIXXHPVIZHH-CABCVRRESA-N 1 0 314.345 1.662 20 5 DDBDRO C[N@@H+]1CC[C@H](Nc2nccc(Br)c2[N+](=O)[O-])C1 ZINC001167281293 732896728 /nfs/dbraw/zinc/89/67/28/732896728.db2.gz RZNNBGPOBSMMPG-ZETCQYMHSA-N 1 0 301.144 1.868 20 5 DDBDRO COc1cc([N+](=O)[O-])cnc1N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000894623326 740327815 /nfs/dbraw/zinc/32/78/15/740327815.db2.gz OMCSQICIQLLHCK-CYBMUJFWSA-N 1 0 322.365 1.034 20 5 DDBDRO Cc1cc(N(C)CCN(C)C(=O)CC[NH+](C)C)ccc1[N+](=O)[O-] ZINC001105553635 742112301 /nfs/dbraw/zinc/11/23/01/742112301.db2.gz BTXCCVFIBYFJLS-UHFFFAOYSA-N 1 0 322.409 1.750 20 5 DDBDRO NC(=[NH2+])c1nccn1-c1ncc(F)c2cc([N+](=O)[O-])ccc21 ZINC001168409801 744145889 /nfs/dbraw/zinc/14/58/89/744145889.db2.gz HXOYOZPVAHRRGH-UHFFFAOYSA-N 1 0 300.253 1.752 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1Cc2cncn2C1 ZINC001197823090 747290359 /nfs/dbraw/zinc/29/03/59/747290359.db2.gz DMTYTJPWKKVBND-SNVBAGLBSA-N 1 0 301.306 1.846 20 5 DDBDRO O=C(NCC1C[NH+](CCc2cccs2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001031660251 747335444 /nfs/dbraw/zinc/33/54/44/747335444.db2.gz FFCJEGVTERMFRE-CHWSQXEVSA-N 1 0 309.391 1.004 20 5 DDBDRO O=C(NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccnc(F)c1 ZINC001124520821 748308480 /nfs/dbraw/zinc/30/84/80/748308480.db2.gz VHMNRJPHGDMIQY-UHFFFAOYSA-N 1 0 318.308 1.649 20 5 DDBDRO Cc1cnc(C[NH2+]C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)s1 ZINC000996429753 749588953 /nfs/dbraw/zinc/58/89/53/749588953.db2.gz WDPYDMBNDZOCGE-VXGBXAGGSA-N 1 0 324.406 1.197 20 5 DDBDRO Cc1cc(NC/C=C/CNC(=O)CC[NH+](C)C)ccc1[N+](=O)[O-] ZINC001107489355 750045858 /nfs/dbraw/zinc/04/58/58/750045858.db2.gz CONXOKXWWUUKSV-SNAWJCMRSA-N 1 0 320.393 1.939 20 5 DDBDRO CC(=O)NCC[NH+]1CCC(Nc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC001111309333 750442837 /nfs/dbraw/zinc/44/28/37/750442837.db2.gz KVVHBYVORBRYOE-UHFFFAOYSA-N 1 0 324.356 1.746 20 5 DDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(C[NH2+]Cc2ccsc2)CC1 ZINC000997773046 751270131 /nfs/dbraw/zinc/27/01/31/751270131.db2.gz RLAVZPKYGKZHJX-ZIAGYGMSSA-N 1 0 323.418 1.742 20 5 DDBDRO O=C(CC[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)NCc1ccccc1 ZINC001168972673 762161653 /nfs/dbraw/zinc/16/16/53/762161653.db2.gz APSRSEOLBRVIGA-HUUCEWRRSA-N 1 0 305.378 1.728 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@H]2CCCN(c3ccncn3)C2)C1 ZINC001168992388 762165487 /nfs/dbraw/zinc/16/54/87/762165487.db2.gz JQBHTOFYZWLILE-MCIONIFRSA-N 1 0 305.382 1.480 20 5 DDBDRO [NH3+][C@H]1CC[C@H](N(c2ccncn2)[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168993355 762166506 /nfs/dbraw/zinc/16/65/06/762166506.db2.gz MWMZRQZPINKODZ-KBUPBQIOSA-N 1 0 319.409 1.998 20 5 DDBDRO O=C(c1ccncc1)N1CC[C@@H]([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168994106 762167707 /nfs/dbraw/zinc/16/77/07/762167707.db2.gz PFTKVRYYCWFMOX-NWANDNLSSA-N 1 0 318.377 1.331 20 5 DDBDRO COc1cccc(C2([NH2+][C@@H]3CC[C@H](C[N+](=O)[O-])C3)COC2)c1 ZINC001168997067 762169767 /nfs/dbraw/zinc/16/97/67/762169767.db2.gz XEWQXJSPZZLDCW-GXTWGEPZSA-N 1 0 306.362 1.956 20 5 DDBDRO CN(C(=O)OC(C)(C)C)C1C[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169008182 762176812 /nfs/dbraw/zinc/17/68/12/762176812.db2.gz RQIOUSNGYQHUKJ-NWDGAFQWSA-N 1 0 313.398 1.983 20 5 DDBDRO CCOC(=O)c1cc(-n2nc(CC[NH3+])nc2C)ccc1[N+](=O)[O-] ZINC001168989750 762181343 /nfs/dbraw/zinc/18/13/43/762181343.db2.gz SJTIFURYRUJZOW-UHFFFAOYSA-N 1 0 319.321 1.162 20 5 DDBDRO O=[N+]([O-])C[C@H]1CC[C@@H](N(c2ncccn2)C2CC[NH2+]CC2)C1 ZINC001169035355 762190763 /nfs/dbraw/zinc/19/07/63/762190763.db2.gz KPROHFGCPPYQJZ-GXTWGEPZSA-N 1 0 305.382 1.480 20 5 DDBDRO CCN1CC[C@@]2(C[N@@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@@H]2C)C1=O ZINC001169025837 762203497 /nfs/dbraw/zinc/20/34/97/762203497.db2.gz ZGHNKMYSVBISMA-NHIYQJMISA-N 1 0 309.410 1.622 20 5 DDBDRO O=[N+]([O-])C[C@H]1CC[C@H](N(c2ncc(F)cn2)C2CC[NH2+]CC2)C1 ZINC001169048315 762205742 /nfs/dbraw/zinc/20/57/42/762205742.db2.gz UPCOGCBXHADBRZ-FZMZJTMJSA-N 1 0 323.372 1.620 20 5 DDBDRO Cc1cc(N([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C2CC[NH2+]CC2)ncn1 ZINC001169057620 762211047 /nfs/dbraw/zinc/21/10/47/762211047.db2.gz WIVMQRWRVFBZMW-UKRRQHHQSA-N 1 0 319.409 1.789 20 5 DDBDRO O=C(N[C@H]1C[C@H]([NH2+]CC2CCCCCC2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001020139309 760614284 /nfs/dbraw/zinc/61/42/84/760614284.db2.gz XHCLNTNKLSPGPA-KBUPBQIOSA-N 1 0 309.410 1.859 20 5 DDBDRO O=C(COCC(F)F)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001131765916 768354739 /nfs/dbraw/zinc/35/47/39/768354739.db2.gz QORIWDFLVZKVPZ-UHFFFAOYSA-N 1 0 317.292 1.082 20 5 DDBDRO COc1ccc(C[C@H](C)[NH2+][C@H]2CNC(=O)C2(C)C)c([N+](=O)[O-])c1 ZINC001170325858 766252974 /nfs/dbraw/zinc/25/29/74/766252974.db2.gz AUDRPAVEAQXKAM-HZMBPMFUSA-N 1 0 321.377 1.649 20 5 DDBDRO COc1ccc(C[C@H](C)[N@@H+]2CC[C@H](F)[C@H](O)C2)c([N+](=O)[O-])c1 ZINC001170327847 766253991 /nfs/dbraw/zinc/25/39/91/766253991.db2.gz IIKWAZPQSJXIMY-VZJVUDMVSA-N 1 0 312.341 1.939 20 5 DDBDRO COc1ccc(C[C@@H](C)[NH2+]C[C@H]2CNC(=O)C2)c([N+](=O)[O-])c1 ZINC001170307439 766258716 /nfs/dbraw/zinc/25/87/16/766258716.db2.gz FVLQCPPVYMDNGC-MNOVXSKESA-N 1 0 307.350 1.260 20 5 DDBDRO CC[C@]([NH3+])(CO)Nc1ccc(OC(F)(F)F)c([N+](=O)[O-])c1 ZINC001170866014 771781250 /nfs/dbraw/zinc/78/12/50/771781250.db2.gz SIXBROPMHQLXKV-SNVBAGLBSA-N 1 0 309.244 1.963 20 5 DDBDRO CCOC(=O)CN(CC[NH3+])c1cc([N+](=O)[O-])c(C)cc1OC ZINC001170994866 772041596 /nfs/dbraw/zinc/04/15/96/772041596.db2.gz APPPOZYLIWOTRO-UHFFFAOYSA-N 1 0 311.338 1.240 20 5 DDBDRO CCC/C=C\CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001147507451 773156199 /nfs/dbraw/zinc/15/61/99/773156199.db2.gz ONPBBPSBHYQOPQ-ZYDHHDLOSA-N 1 0 321.421 1.932 20 5 DDBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cnc(N)c([N+](=O)[O-])c2)C[C@H]1C ZINC001147741603 773227893 /nfs/dbraw/zinc/22/78/93/773227893.db2.gz GEKCQQIFFCEZMA-ZYHUDNBSSA-N 1 0 321.381 1.517 20 5 DDBDRO Cc1ccc(N(C)CCNC(=O)C[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC001100115554 775700574 /nfs/dbraw/zinc/70/05/74/775700574.db2.gz WHMVLLHSJFHFJK-UHFFFAOYSA-N 1 0 320.393 1.551 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(N(C)CCNC(=O)C[N@@H+](C)C(C)C)n1 ZINC001100149888 775735433 /nfs/dbraw/zinc/73/54/33/775735433.db2.gz UNPXAKHNOQIOOA-UHFFFAOYSA-N 1 0 323.397 1.191 20 5 DDBDRO CCN(CCNC(=O)C[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC001100534724 776280223 /nfs/dbraw/zinc/28/02/23/776280223.db2.gz WFITYUWEAZFLON-UHFFFAOYSA-N 1 0 320.393 1.633 20 5 DDBDRO O=C1CC[C@@H]([NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C(=O)N1 ZINC001172900349 776914690 /nfs/dbraw/zinc/91/46/90/776914690.db2.gz SOAAQHCHRDQCHO-GXTWGEPZSA-N 1 0 317.345 1.237 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+][C@H]1[C@H](O)CCC[C@@H]1O)CC2 ZINC001172907097 776918108 /nfs/dbraw/zinc/91/81/08/776918108.db2.gz CXDRSBBIAQEZFI-QMCVQRASSA-N 1 0 320.389 1.706 20 5 DDBDRO O=C1C[C@H](C[NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCN1 ZINC001172896698 776928946 /nfs/dbraw/zinc/92/89/46/776928946.db2.gz RHDIVAMLJCACMJ-DOMZBBRYSA-N 1 0 317.389 1.958 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@H]2COC(=O)C2)c1F ZINC001173188913 777036397 /nfs/dbraw/zinc/03/63/97/777036397.db2.gz MFNQWCGBCPMUBP-DTWKUNHWSA-N 1 0 312.297 1.579 20 5 DDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[NH+](CCCO)CC1 ZINC001173221938 777054279 /nfs/dbraw/zinc/05/42/79/777054279.db2.gz NOYHUXCRNYOVNZ-AWEZNQCLSA-N 1 0 307.394 1.526 20 5 DDBDRO CNC(=O)C1CC[NH+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173223922 777058316 /nfs/dbraw/zinc/05/83/16/777058316.db2.gz BRPUSZKGJSZHSM-GFCCVEGCSA-N 1 0 305.378 1.984 20 5 DDBDRO Cc1ccnc(NCCN(C)C(=O)C[N@@H+](C)C(C)C)c1[N+](=O)[O-] ZINC001101657613 777352564 /nfs/dbraw/zinc/35/25/64/777352564.db2.gz GQXKHOYIYPKXHC-UHFFFAOYSA-N 1 0 323.397 1.509 20 5 DDBDRO CC[N@H+](C)CCC(=O)N(C)CCNc1ccc([N+](=O)[O-])c(C)n1 ZINC001101756614 777480108 /nfs/dbraw/zinc/48/01/08/777480108.db2.gz GEHHHTBVTZSAHY-UHFFFAOYSA-N 1 0 323.397 1.510 20 5 DDBDRO NC(=O)[C@]12CCC[C@H]1C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC001176556451 778180278 /nfs/dbraw/zinc/18/02/78/778180278.db2.gz YDQDVIGRLOOVNS-NOLJZWGESA-N 1 0 319.361 1.216 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(Cc2noc(C3(C)C[NH2+]C3)n2)c1 ZINC001118164909 781049229 /nfs/dbraw/zinc/04/92/29/781049229.db2.gz YSXUMBFURHTUTH-UHFFFAOYSA-N 1 0 304.306 1.438 20 5 DDBDRO O=C([C@@H]1CC[C@H](C2CC2)[NH2+]1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001118272629 781081135 /nfs/dbraw/zinc/08/11/35/781081135.db2.gz DGDMBFQJBKIMAH-CABCVRRESA-N 1 0 301.346 1.968 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)CN(C[C@@H]1CCC3(C[NH2+]C3)O1)CC2 ZINC001118568457 781161263 /nfs/dbraw/zinc/16/12/63/781161263.db2.gz AUZKHDOSMSVKAN-HNNXBMFYSA-N 1 0 303.362 1.474 20 5 DDBDRO Cc1nc(N2CCC([N@H+]3CCOC[C@H]3C)CC2)ncc1[N+](=O)[O-] ZINC001119342776 781413340 /nfs/dbraw/zinc/41/33/40/781413340.db2.gz LAYZBZHCMZPXDL-LLVKDONJSA-N 1 0 321.381 1.383 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCCNC(=O)CC(C)(C)C ZINC001154667120 861344089 /nfs/dbraw/zinc/34/40/89/861344089.db2.gz KQZVEFGSGXMIKB-UHFFFAOYSA-N 1 0 311.386 1.360 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(N2CCOC[C@H]2C[NH+](C)C)nc1Cl ZINC001154969261 861610395 /nfs/dbraw/zinc/61/03/95/861610395.db2.gz SDMDVNCDDZTJPD-SNVBAGLBSA-N 1 0 314.773 1.718 20 5 DDBDRO C[NH+](C)C[C@@H]1COCCN1c1nccc2cc([N+](=O)[O-])ccc21 ZINC001154983388 861620711 /nfs/dbraw/zinc/62/07/11/861620711.db2.gz AYKKSYGTNZYVDI-CQSZACIVSA-N 1 0 316.361 1.910 20 5 DDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](CC[NH3+])C(F)F ZINC001326906393 861702930 /nfs/dbraw/zinc/70/29/30/861702930.db2.gz FNOMZZRODWURRC-SNVBAGLBSA-N 1 0 302.281 1.349 20 5 DDBDRO O=C(NCC1([NH2+]CC2CCCCC2)CCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001273084398 847886040 /nfs/dbraw/zinc/88/60/40/847886040.db2.gz MWIUUEMNDCVMDI-ZIAGYGMSSA-N 1 0 309.410 1.860 20 5 DDBDRO COc1cc(C)nc(NCc2noc3c2C[NH2+]CC3)c1[N+](=O)[O-] ZINC001155497165 862161265 /nfs/dbraw/zinc/16/12/65/862161265.db2.gz HQRWQHFRKKIONF-UHFFFAOYSA-N 1 0 319.321 1.553 20 5 DDBDRO O=[N+]([O-])c1cc(Cl)cnc1NC[C@@H]1OC[C@H]2C[NH2+]CC[C@H]21 ZINC001155515076 862179114 /nfs/dbraw/zinc/17/91/14/862179114.db2.gz RJUCAKKJRMYNSH-UISBYWKRSA-N 1 0 312.757 1.680 20 5 DDBDRO O=C1C[C@H]2[NH2+]CC[C@@]2(Nc2ccc3c(cccc3[N+](=O)[O-])n2)N1 ZINC001155568656 862232839 /nfs/dbraw/zinc/23/28/39/862232839.db2.gz AUIJNMQAHQGXFO-IUODEOHRSA-N 1 0 313.317 1.133 20 5 DDBDRO Cc1nc(NC[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)ccc1[N+](=O)[O-] ZINC001155593408 862270975 /nfs/dbraw/zinc/27/09/75/862270975.db2.gz ZDRJGCWAIHBXMH-SWLSCSKDSA-N 1 0 306.366 1.869 20 5 DDBDRO CCOc1nc(N[C@@H]2CCO[C@]3(CC[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC001155620432 862301328 /nfs/dbraw/zinc/30/13/28/862301328.db2.gz LBLNUCUBPNRXDE-IAQYHMDHSA-N 1 0 322.365 1.712 20 5 DDBDRO O=C(NCCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1cocn1 ZINC001155735370 862416727 /nfs/dbraw/zinc/41/67/27/862416727.db2.gz BABZGLYYWWFBBT-UHFFFAOYSA-N 1 0 304.306 1.493 20 5 DDBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCn2cc([N+](=O)[O-])c(=O)c([N+](=O)[O-])c2)C1 ZINC001328033867 862648718 /nfs/dbraw/zinc/64/87/18/862648718.db2.gz YFRXEIBYHAXHHW-PHIMTYICSA-N 1 0 324.337 1.643 20 5 DDBDRO C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC001122230558 858718994 /nfs/dbraw/zinc/71/89/94/858718994.db2.gz DZHRUPFBRPOJDE-CGDMSBDMSA-N 1 0 303.362 1.970 20 5 DDBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001140146661 860582565 /nfs/dbraw/zinc/58/25/65/860582565.db2.gz IOEVCMKPKWHJDA-JQWIXIFHSA-N 1 0 319.365 1.271 20 5 DDBDRO O=C(NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cccnc1 ZINC001154175309 860842165 /nfs/dbraw/zinc/84/21/65/860842165.db2.gz MZYNVPLTAXAEPN-UHFFFAOYSA-N 1 0 314.345 1.900 20 5 DDBDRO CC1CC[NH+](CCNC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)CC1 ZINC001141645975 860902557 /nfs/dbraw/zinc/90/25/57/860902557.db2.gz ZIFXJKMJPOGFLM-UHFFFAOYSA-N 1 0 315.761 1.433 20 5 DDBDRO C[C@@H]1C[C@@H](NC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)CC[NH2+]1 ZINC001328727993 863179469 /nfs/dbraw/zinc/17/94/69/863179469.db2.gz IHGHXDMFRKPPPX-MFKMUULPSA-N 1 0 304.350 1.761 20 5 DDBDRO Cc1cc(Cl)nc(NC(=N)NCCCC[NH3+])c1[N+](=O)[O-] ZINC001157093500 863569740 /nfs/dbraw/zinc/56/97/40/863569740.db2.gz CWCFSHVGFVTQIE-UHFFFAOYSA-N 1 0 300.750 1.627 20 5 DDBDRO COC(=O)[C@@H](CCC[NH3+])Nc1cc(Cl)ncc1[N+](=O)[O-] ZINC001157114260 863584302 /nfs/dbraw/zinc/58/43/02/863584302.db2.gz DLYJIQGOCULXMJ-SSDOTTSWSA-N 1 0 302.718 1.336 20 5 DDBDRO COc1nc(N2CCC(C)([NH+]3CCCC3)CC2)ncc1[N+](=O)[O-] ZINC001157651695 864014703 /nfs/dbraw/zinc/01/47/03/864014703.db2.gz BQIPRVNLRLWUDN-UHFFFAOYSA-N 1 0 321.381 1.848 20 5 DDBDRO CCC1(Nc2nc(SC)nc(Cl)c2[N+](=O)[O-])C[NH2+]C1 ZINC001157777175 864131517 /nfs/dbraw/zinc/13/15/17/864131517.db2.gz JBYBBMMVGHKXOV-UHFFFAOYSA-N 1 0 303.775 1.924 20 5 DDBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N2CC[C@@](F)(C[NH3+])C2)n1 ZINC001157809028 864160186 /nfs/dbraw/zinc/16/01/86/864160186.db2.gz MXVSIHFDZUILHD-SNVBAGLBSA-N 1 0 321.765 1.637 20 5 DDBDRO COc1nc(N2CCC(N3CC[C@H]([NH3+])C3)CC2)ccc1[N+](=O)[O-] ZINC001158259343 864520744 /nfs/dbraw/zinc/52/07/44/864520744.db2.gz QWLWZHAYUNMVRS-NSHDSACASA-N 1 0 321.381 1.000 20 5 DDBDRO C[C@H](Nc1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1)c1cnccn1 ZINC001158608850 864755937 /nfs/dbraw/zinc/75/59/37/864755937.db2.gz CZKHBPPWGKIFAD-QMMMGPOBSA-N 1 0 301.310 1.035 20 5 DDBDRO O=[N+]([O-])c1cc(NC[C@H]2COCC[NH2+]2)c2ncnc(Cl)c2c1 ZINC001159047921 865075204 /nfs/dbraw/zinc/07/52/04/865075204.db2.gz VQXSLNYLWGQDEF-QMMMGPOBSA-N 1 0 323.740 1.592 20 5 DDBDRO CC(C)[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001159150963 865132827 /nfs/dbraw/zinc/13/28/27/865132827.db2.gz NBZVOABODBKXLB-VXGBXAGGSA-N 1 0 321.381 1.653 20 5 DDBDRO O=[N+]([O-])c1ccccc1-c1ccc(N[C@H]2C[NH2+]C[C@H]2CO)nn1 ZINC001159680146 865467029 /nfs/dbraw/zinc/46/70/29/865467029.db2.gz GROBRPYYKTVGRH-GWCFXTLKSA-N 1 0 315.333 1.044 20 5 DDBDRO Cc1nn(C)c(-c2nc([C@H]3C[NH+]4CCC3CC4)no2)c1[N+](=O)[O-] ZINC001320206615 866561054 /nfs/dbraw/zinc/56/10/54/866561054.db2.gz CQMLCENKPXTONI-JTQLQIEISA-N 1 0 318.337 1.496 20 5 DDBDRO COc1cnc(NC2CCN([C@@H]3CC[NH2+]C3)CC2)c([N+](=O)[O-])c1 ZINC001161464520 866685887 /nfs/dbraw/zinc/68/58/87/866685887.db2.gz LOXOTNCCUVDHCK-GFCCVEGCSA-N 1 0 321.381 1.237 20 5 DDBDRO [NH3+]C1CCN(CCNc2cc([N+](=O)[O-])c3cc[nH]c3n2)CC1 ZINC001161871194 867052210 /nfs/dbraw/zinc/05/22/10/867052210.db2.gz VWBISTBROUDBOM-UHFFFAOYSA-N 1 0 304.354 1.306 20 5 DDBDRO COC(=O)[C@@H](Nc1ccc([N+](=O)[O-])c2cnccc12)C(C)(C)[NH3+] ZINC001162947803 867936169 /nfs/dbraw/zinc/93/61/69/867936169.db2.gz ZYEYWNGNGZAHCP-CYBMUJFWSA-N 1 0 318.333 1.834 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NCc1nnn2c1C[NH2+]CCC2 ZINC001162971690 867958797 /nfs/dbraw/zinc/95/87/97/867958797.db2.gz MEBXQMAYJSARKF-UHFFFAOYSA-N 1 0 302.338 1.600 20 5 DDBDRO O=C(NCC[C@H]1CC[NH2+]C1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001325365783 867971434 /nfs/dbraw/zinc/97/14/34/867971434.db2.gz GVYUCDLUPBZWLP-LLVKDONJSA-N 1 0 304.350 1.620 20 5 DDBDRO CN(C)c1ccc(NC[C@H]2OC[C@H]3C[NH2+]CC[C@H]32)c([N+](=O)[O-])c1 ZINC001163176072 868191036 /nfs/dbraw/zinc/19/10/36/868191036.db2.gz MXINBEWYUMLFCG-AXAPSJFSSA-N 1 0 320.393 1.697 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)c(F)cnc2NC[C@@]12C[NH2+][C@@H](CO1)C2 ZINC001163193011 868202058 /nfs/dbraw/zinc/20/20/58/868202058.db2.gz JAPCENVJNQARNA-RFAUZJTJSA-N 1 0 318.308 1.825 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(NC[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)n1 ZINC001163269140 868286510 /nfs/dbraw/zinc/28/65/10/868286510.db2.gz WRVHKTWCRVOSCX-ABAIWWIYSA-N 1 0 322.365 1.569 20 5 DDBDRO CNc1cc([N+](=O)[O-])cnc1NC[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001163275794 868296882 /nfs/dbraw/zinc/29/68/82/868296882.db2.gz APYGANCREJGSKJ-IAQYHMDHSA-N 1 0 321.381 1.602 20 5 DDBDRO C[C@@H]1SCC[C@@H]1[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC001335471365 868321807 /nfs/dbraw/zinc/32/18/07/868321807.db2.gz ZPWDHBGEJDINOM-SUHUHFCYSA-N 1 0 312.391 1.818 20 5 DDBDRO CCOC(=O)c1cn(-c2ncc([N+](=O)[O-])c(C)c2C)nc1C[NH3+] ZINC001163524582 868506861 /nfs/dbraw/zinc/50/68/61/868506861.db2.gz MYYKKCIAXNKHAY-UHFFFAOYSA-N 1 0 319.321 1.428 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@H](O)c2cccnc2)cc1 ZINC001336704570 869102030 /nfs/dbraw/zinc/10/20/30/869102030.db2.gz VURKRQVRIDEXTO-CABCVRRESA-N 1 0 303.318 1.346 20 5 DDBDRO COc1c(O)ccc(CNC[C@H](C)[N@H+](C)C2CC2)c1[N+](=O)[O-] ZINC001336716145 869106604 /nfs/dbraw/zinc/10/66/04/869106604.db2.gz DCLYOTDEKPCLSM-JTQLQIEISA-N 1 0 309.366 1.881 20 5 DDBDRO O=[N+]([O-])c1cccc(N2CC[NH+](CCc3ccncc3)CC2)n1 ZINC001165059561 869356921 /nfs/dbraw/zinc/35/69/21/869356921.db2.gz AYSDJHSYRQFYHL-UHFFFAOYSA-N 1 0 313.361 1.750 20 5 DDBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CCC[C@H]1C[NH+](C)C ZINC001165076290 869365607 /nfs/dbraw/zinc/36/56/07/869365607.db2.gz GKVKABLWXFUDAT-NSHDSACASA-N 1 0 322.365 1.697 20 5 DDBDRO C[NH+]1C[C@H]2CN(c3nc(Cl)nc(Cl)c3[N+](=O)[O-])C[C@@H]2C1 ZINC001165147393 869407970 /nfs/dbraw/zinc/40/79/70/869407970.db2.gz IWTDPYCZDHPWAM-BQBZGAKWSA-N 1 0 318.164 1.689 20 5 DDBDRO CO[C@@H]1CN(C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)C[C@H]1[NH3+] ZINC001165204560 869426757 /nfs/dbraw/zinc/42/67/57/869426757.db2.gz MWFLHDQIOVYQIP-HTRCEHHLSA-N 1 0 322.699 1.350 20 5 DDBDRO COC(=O)c1ccnc(N2CCC(C3C[NH2+]C3)CC2)c1[N+](=O)[O-] ZINC001165410478 869576941 /nfs/dbraw/zinc/57/69/41/869576941.db2.gz HZXODROSDSZYBL-UHFFFAOYSA-N 1 0 320.349 1.212 20 5 DDBDRO CCOc1nc(-n2nc(COC)c3c2C[NH2+]C3)ccc1[N+](=O)[O-] ZINC001165633336 869662424 /nfs/dbraw/zinc/66/24/24/869662424.db2.gz QSCCNDZPRVOEQW-UHFFFAOYSA-N 1 0 319.321 1.324 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1Cc1nc([C@H]2C[NH+]3CCC2CC3)no1 ZINC001337930449 869696652 /nfs/dbraw/zinc/69/66/52/869696652.db2.gz VFPUISMKHOWLAR-NSHDSACASA-N 1 0 318.337 1.340 20 5 DDBDRO O=C(NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C1(CF)CC1 ZINC001166354418 869966227 /nfs/dbraw/zinc/96/62/27/869966227.db2.gz AEPRPYMKXOQYTG-UHFFFAOYSA-N 1 0 309.341 1.940 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@@H](O)c2ccncc2)cc1 ZINC001338420236 869971673 /nfs/dbraw/zinc/97/16/73/869971673.db2.gz WEUPGDSGQZRKPT-HUUCEWRRSA-N 1 0 303.318 1.346 20 5 DDBDRO CCC(C)(C)C(=O)N[C@H]1C[C@H]([NH2+]Cc2c([N+](=O)[O-])ncn2C)C1 ZINC001317084207 870220330 /nfs/dbraw/zinc/22/03/30/870220330.db2.gz DSGYXKAYWJVPTB-XYPYZODXSA-N 1 0 323.397 1.501 20 5 DDBDRO C[C@H](C(=O)N[C@@H]1C[NH+]2CCC1CC2)c1cccc([N+](=O)[O-])c1 ZINC001339140828 870363983 /nfs/dbraw/zinc/36/39/83/870363983.db2.gz JNWPYWBKMZJOIZ-XHDPSFHLSA-N 1 0 303.362 1.909 20 5 DDBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N(C)C[C@@H]1CC[NH2+]C1 ZINC001166956113 870417713 /nfs/dbraw/zinc/41/77/13/870417713.db2.gz XBJUABXBNARVJQ-SNVBAGLBSA-N 1 0 308.338 1.212 20 5 DDBDRO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N(C)C1C[NH2+]C1 ZINC001166976989 870441920 /nfs/dbraw/zinc/44/19/20/870441920.db2.gz MSVRFYLHLWYCCN-UHFFFAOYSA-N 1 0 314.729 1.228 20 5 DDBDRO C[C@H]([NH3+])CONC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC001340456566 871123062 /nfs/dbraw/zinc/12/30/62/871123062.db2.gz MGUXQDXWJLPVEU-NSHDSACASA-N 1 0 322.365 1.594 20 5 DDBDRO Cc1cc(C(=O)NCC[C@H]2CSCC[NH2+]2)ccc1[N+](=O)[O-] ZINC001340530533 871177618 /nfs/dbraw/zinc/17/76/18/871177618.db2.gz YTLDFLCIWQJVAK-LBPRGKRZSA-N 1 0 309.391 1.728 20 5 DDBDRO C[C@@H](CNC(=O)N1CC[NH2+][C@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC001338755903 871317264 /nfs/dbraw/zinc/31/72/64/871317264.db2.gz UDGCXTRTYBJJQQ-NWDGAFQWSA-N 1 0 306.366 1.702 20 5 DDBDRO C[C@](CO)([NH2+]C[C@H]1CCc2ncnn21)c1cccc([N+](=O)[O-])c1 ZINC001308000381 871463122 /nfs/dbraw/zinc/46/31/22/871463122.db2.gz UFLZTXFQVUARMK-UKRRQHHQSA-N 1 0 317.349 1.171 20 5 DDBDRO Cc1cccc(C(=O)NCC[C@@H]2CSCC[NH2+]2)c1[N+](=O)[O-] ZINC001341147538 871531305 /nfs/dbraw/zinc/53/13/05/871531305.db2.gz HTTIJYZEOSIHLH-LLVKDONJSA-N 1 0 309.391 1.728 20 5 DDBDRO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)NCc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC001341343885 871615084 /nfs/dbraw/zinc/61/50/84/871615084.db2.gz JFYXXXOYBVLAAJ-NWANDNLSSA-N 1 0 318.377 1.734 20 5 DDBDRO COC[C@@H]1C[NH2+]CCN1C(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC001341639173 871749446 /nfs/dbraw/zinc/74/94/46/871749446.db2.gz CTMHWQYWPDZNDN-LBPRGKRZSA-N 1 0 307.350 1.272 20 5 DDBDRO C[NH2+]C[C@@H]1CCCCN1C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC001341697774 871782983 /nfs/dbraw/zinc/78/29/83/871782983.db2.gz YIYUHCKWVAYCAE-ZDUSSCGKSA-N 1 0 320.393 1.632 20 5 DDBDRO CC(=O)O[C@H]1C[C@@H]2C[C@H](Oc3ccc([N+](=O)[O-])nc3)C[C@H]1[N@@H+]2C ZINC001226712418 882603532 /nfs/dbraw/zinc/60/35/32/882603532.db2.gz MLJMUDCBYIWFLM-DEQVHRJGSA-N 1 0 321.333 1.535 20 5 DDBDRO CS[C@@H]1CC[C@H]([N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC001319451833 872635987 /nfs/dbraw/zinc/63/59/87/872635987.db2.gz QQCUGUIIBJOVSI-WCQYABFASA-N 1 0 311.407 1.972 20 5 DDBDRO C[C@@H](NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)C(C)(C)C[NH+](C)C ZINC001344111695 872859279 /nfs/dbraw/zinc/85/92/79/872859279.db2.gz NTRWKWBIYMFHTR-RISCZKNCSA-N 1 0 323.393 1.721 20 5 DDBDRO [NH3+]CC[C@@H]1CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC001345001120 873215000 /nfs/dbraw/zinc/21/50/00/873215000.db2.gz YRMOUXDBZDLORB-GFCCVEGCSA-N 1 0 307.350 1.561 20 5 DDBDRO CC[NH+](CC)CC[C@@H](C)NC(=O)Cn1cc([N+](=O)[O-])nc1C ZINC001348371643 874518423 /nfs/dbraw/zinc/51/84/23/874518423.db2.gz ONUSRXFJGRKNIW-LLVKDONJSA-N 1 0 311.386 1.336 20 5 DDBDRO [NH3+][C@@H]1CCC[C@H](NC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001348562450 874634825 /nfs/dbraw/zinc/63/48/25/874634825.db2.gz PGQWYZSOPHAXJX-OLZOCXBDSA-N 1 0 304.350 1.890 20 5 DDBDRO CC[NH+](CC)CC[C@H](C)NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC001351126460 876071388 /nfs/dbraw/zinc/07/13/88/876071388.db2.gz IPGUQSJPXFDHPU-JTQLQIEISA-N 1 0 309.370 1.422 20 5 DDBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H](O)CC1(CO)CCCC1 ZINC001353245059 877209447 /nfs/dbraw/zinc/20/94/47/877209447.db2.gz CCFNZZOKZMIRQJ-AWEZNQCLSA-N 1 0 308.378 1.988 20 5 DDBDRO O=[N+]([O-])c1cc([N+](=O)[O-])c(O[C@H]2CC[NH2+]C2)c2ncccc12 ZINC001218184005 877415558 /nfs/dbraw/zinc/41/55/58/877415558.db2.gz XXZQADPHQFWTNN-QMMMGPOBSA-N 1 0 304.262 1.792 20 5 DDBDRO C[NH2+]C[C@@H](O)CN(C)C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC001354460893 877996840 /nfs/dbraw/zinc/99/68/40/877996840.db2.gz CRQLTWOSMCTWBP-CYBMUJFWSA-N 1 0 317.345 1.400 20 5 DDBDRO Cc1c(CC(=O)N2CC[C@H](C[NH3+])[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC001355064796 878406009 /nfs/dbraw/zinc/40/60/09/878406009.db2.gz ISILSLIYYXCHAS-SMDDNHRTSA-N 1 0 305.378 1.889 20 5 DDBDRO C[NH+](C)[C@@H]1C[C@H](NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC001357242051 879875334 /nfs/dbraw/zinc/87/53/34/879875334.db2.gz LCWWDTNASGXJFY-QLFBSQMISA-N 1 0 307.394 1.947 20 5 DDBDRO C[C@H](CNC(=O)[C@H]([NH3+])CC(F)F)c1ccccc1[N+](=O)[O-] ZINC001358389339 880417679 /nfs/dbraw/zinc/41/76/79/880417679.db2.gz VSLFPWPKQLSJPU-PSASIEDQSA-N 1 0 301.293 1.797 20 5 DDBDRO C[C@H](C[N+](C)(C)C)OCCc1ccc(S(C)(=O)=O)cc1 ZINC001224318028 881326428 /nfs/dbraw/zinc/32/64/28/881326428.db2.gz PTRWEOABSZFQHW-CYBMUJFWSA-N 1 0 300.444 1.744 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc2[nH]c(=S)[nH]c2c1 ZINC001229631647 884086882 /nfs/dbraw/zinc/08/68/82/884086882.db2.gz WRRDHUPAEQZKSW-SECBINFHSA-O 1 0 310.399 1.214 20 5 DDBDRO COC(=O)c1nc(C(C)C)[nH]c(=O)c1O[C@@H](C)C[N+](C)(C)C ZINC001234562291 888100715 /nfs/dbraw/zinc/10/07/15/888100715.db2.gz XNRNGNCTOSNPPL-JTQLQIEISA-O 1 0 312.390 1.566 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2C[C@H]3C[NH2+]C[C@H]32)c1F ZINC001246916633 892985843 /nfs/dbraw/zinc/98/58/43/892985843.db2.gz JABNKXYMNQDGAB-OPQQBVKSSA-N 1 0 309.341 1.577 20 5 DDBDRO CC(C)([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C(N)=O ZINC001254467571 896452954 /nfs/dbraw/zinc/45/29/54/896452954.db2.gz CHABICGOVAOMAC-UHFFFAOYSA-N 1 0 306.366 1.417 20 5 DDBDRO O=C1C[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CN1 ZINC001254467401 896454219 /nfs/dbraw/zinc/45/42/19/896454219.db2.gz BNIAEEPAYHKOCR-GFCCVEGCSA-N 1 0 304.350 1.042 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CCS(=O)(=O)CC1 ZINC001254535452 896491542 /nfs/dbraw/zinc/49/15/42/896491542.db2.gz KBZKGHRWBFNOTD-LLVKDONJSA-N 1 0 312.391 1.693 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cncc(C(N)=O)c1 ZINC001254547651 896496863 /nfs/dbraw/zinc/49/68/63/896496863.db2.gz DFGNHWCZNMLXRB-LLVKDONJSA-N 1 0 314.345 1.810 20 5 DDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CN(c2cnccn2)C1 ZINC001254542067 896496895 /nfs/dbraw/zinc/49/68/95/896496895.db2.gz LHBUOKKQHNYHFV-LBPRGKRZSA-N 1 0 313.361 1.794 20 5 DDBDRO COc1ccc(C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)nn1 ZINC001254576957 896510635 /nfs/dbraw/zinc/51/06/35/896510635.db2.gz BDQYLHSLBLGGAL-CYBMUJFWSA-N 1 0 300.318 1.650 20 5 DDBDRO COCC[NH+]1CCN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254592937 896521153 /nfs/dbraw/zinc/52/11/53/896521153.db2.gz HGOASBWURAMGOY-MRXNPFEDSA-N 1 0 305.378 1.326 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH+]1CCC(n3cnnc3)CC1)C2 ZINC001254604033 896526735 /nfs/dbraw/zinc/52/67/35/896526735.db2.gz SVAXHYUPQYBQKA-INIZCTEOSA-N 1 0 313.361 1.991 20 5 DDBDRO COc1cc(N2CCC([NH2+][C@@H](C)CO)CC2)ccc1[N+](=O)[O-] ZINC001256082000 897276141 /nfs/dbraw/zinc/27/61/41/897276141.db2.gz HUIAEURGQPOGRB-NSHDSACASA-N 1 0 309.366 1.543 20 5 DDBDRO COc1cc(N2CCC([NH2+]C[C@@H]3CCO3)CC2)ccc1[N+](=O)[O-] ZINC001256086734 897279661 /nfs/dbraw/zinc/27/96/61/897279661.db2.gz CQHCLAOXBKRDBI-AWEZNQCLSA-N 1 0 321.377 1.951 20 5 DDBDRO COc1cc(N2CCC([NH+]3CC(CO)C3)CC2)ccc1[N+](=O)[O-] ZINC001256099916 897282578 /nfs/dbraw/zinc/28/25/78/897282578.db2.gz ZVNKYIKPYLFFOE-UHFFFAOYSA-N 1 0 321.377 1.496 20 5 DDBDRO COc1ncc(CC[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC001262558584 900243654 /nfs/dbraw/zinc/24/36/54/900243654.db2.gz KCLBQINRNYALSZ-AWEZNQCLSA-N 1 0 318.333 1.259 20 5 DDBDRO C[C@@H](CNC(=O)NCC[C@H]1CC[NH2+]C1)c1ccccc1[N+](=O)[O-] ZINC001262584827 900262045 /nfs/dbraw/zinc/26/20/45/900262045.db2.gz MLDYQLFSOHWDSX-QWHCGFSZSA-N 1 0 320.393 1.997 20 5 DDBDRO O=C([C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001263106711 900501714 /nfs/dbraw/zinc/50/17/14/900501714.db2.gz CZCAYLVLIXDYPD-AYRXBEOTSA-N 1 0 301.346 1.376 20 5 DDBDRO CCC(=O)N1CCC(O)(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001281585794 905065675 /nfs/dbraw/zinc/06/56/75/905065675.db2.gz BMDPJQACMZGGIL-UHFFFAOYSA-N 1 0 321.377 1.448 20 5 DDBDRO CN(CC[NH+](C)C)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278714669 282089912 /nfs/dbraw/zinc/08/99/12/282089912.db2.gz PABJMGYJINGHBJ-UHFFFAOYSA-N 1 0 320.353 1.174 20 5 DDBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc(C)cc([N+](=O)[O-])c2N)C1 ZINC000081792353 192323820 /nfs/dbraw/zinc/32/38/20/192323820.db2.gz VZFRNUYBOGTUJX-LBPRGKRZSA-N 1 0 320.393 1.899 20 5 DDBDRO C[C@@H]1CC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H]1CO ZINC000248994361 282125253 /nfs/dbraw/zinc/12/52/53/282125253.db2.gz XTJXPORVIIWHPV-UXIGCNINSA-N 1 0 310.350 1.037 20 5 DDBDRO C[C@@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)[C@H](C)CO ZINC000450738282 230783799 /nfs/dbraw/zinc/78/37/99/230783799.db2.gz MKWWMXXCGDUSOO-JTNHKYCSSA-N 1 0 307.350 1.307 20 5 DDBDRO CO[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000451632849 231146158 /nfs/dbraw/zinc/14/61/58/231146158.db2.gz LSJWCFCJRJKDFT-NWANDNLSSA-N 1 0 310.350 1.492 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000452395050 231376046 /nfs/dbraw/zinc/37/60/46/231376046.db2.gz VZJZPJYSFNBUNV-AWEZNQCLSA-N 1 0 321.377 1.480 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC000090552771 185302722 /nfs/dbraw/zinc/30/27/22/185302722.db2.gz BWRJNKKFBHSNNV-TZMCWYRMSA-N 1 0 307.350 1.257 20 5 DDBDRO C[NH2+]C[C@@H](C)CNS(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000193278125 290680368 /nfs/dbraw/zinc/68/03/68/290680368.db2.gz KNNOXCZINXJJLQ-SECBINFHSA-N 1 0 315.395 1.345 20 5 DDBDRO Cc1ccc(S(=O)(=O)N2CC[C@@](C)(C[NH3+])C2)cc1[N+](=O)[O-] ZINC000261609231 282288302 /nfs/dbraw/zinc/28/83/02/282288302.db2.gz DPMNXIVIGWXQGY-ZDUSSCGKSA-N 1 0 313.379 1.263 20 5 DDBDRO CCCN(CC[NH+]1CCCC1)C(=O)c1[nH]nc(CC)c1[N+](=O)[O-] ZINC000286648817 219103601 /nfs/dbraw/zinc/10/36/01/219103601.db2.gz DNIUPMPBZBKPEE-UHFFFAOYSA-N 1 0 323.397 1.828 20 5 DDBDRO CC(C)[N@@H+]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000267258390 282305612 /nfs/dbraw/zinc/30/56/12/282305612.db2.gz NHUPRCWRMZDGHF-UHFFFAOYSA-N 1 0 306.366 1.733 20 5 DDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000228156334 201813206 /nfs/dbraw/zinc/81/32/06/201813206.db2.gz CXADMCIPOVCRHA-WDEREUQCSA-N 1 0 313.379 1.261 20 5 DDBDRO O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000319007953 282407754 /nfs/dbraw/zinc/40/77/54/282407754.db2.gz MLTHREAIAVQDOP-APHBUQMISA-N 1 0 301.346 1.820 20 5 DDBDRO C[N@@H+]1CC[C@](O)(CNc2ccc([N+](=O)[O-])c3cnccc23)C1 ZINC000358330240 299122708 /nfs/dbraw/zinc/12/27/08/299122708.db2.gz OWSNRVJOWXNIJJ-HNNXBMFYSA-N 1 0 302.334 1.622 20 5 DDBDRO COC[C@H](CO)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000279615460 215007942 /nfs/dbraw/zinc/00/79/42/215007942.db2.gz AGLBAJPOFRLEFT-NSHDSACASA-N 1 0 306.318 1.952 20 5 DDBDRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000601224891 358454499 /nfs/dbraw/zinc/45/44/99/358454499.db2.gz IWUGVIHKUPYCLX-HNNXBMFYSA-N 1 0 322.365 1.515 20 5 DDBDRO CN(C)CC(C)(C)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000459536313 233290436 /nfs/dbraw/zinc/29/04/36/233290436.db2.gz KYFWRUDOPHVVOB-ZDUSSCGKSA-N 1 0 311.382 1.264 20 5 DDBDRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000262860205 186314460 /nfs/dbraw/zinc/31/44/60/186314460.db2.gz UASAKRAJDZKKHN-RNCFNFMXSA-N 1 0 311.769 1.905 20 5 DDBDRO C[C@H]([NH2+]CC(=O)NCc1cccnc1)c1ccc([N+](=O)[O-])cc1 ZINC000296787389 186697594 /nfs/dbraw/zinc/69/75/94/186697594.db2.gz SMJOFVLOXWLYLU-LBPRGKRZSA-N 1 0 314.345 1.957 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000617352616 363067200 /nfs/dbraw/zinc/06/72/00/363067200.db2.gz DPBMKORTCROPSF-LLVKDONJSA-N 1 0 307.350 1.675 20 5 DDBDRO C[C@H]1C[NH2+]CCN1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000126122282 290935909 /nfs/dbraw/zinc/93/59/09/290935909.db2.gz DAWUDUMLTGCUOP-NSHDSACASA-N 1 0 315.333 1.214 20 5 DDBDRO C[C@@H]1CSCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000172590331 198118989 /nfs/dbraw/zinc/11/89/89/198118989.db2.gz DRLUAKVRTAVZJX-YPMHNXCESA-N 1 0 312.391 1.772 20 5 DDBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)[NH+](C)C ZINC000033093533 352288656 /nfs/dbraw/zinc/28/86/56/352288656.db2.gz ICCYSKAWBDYESX-GFCCVEGCSA-N 1 0 320.393 1.875 20 5 DDBDRO C[NH+](C)Cc1cccc(CNC(=O)c2cc([N+](=O)[O-])c[nH]2)c1 ZINC000043966675 352377314 /nfs/dbraw/zinc/37/73/14/352377314.db2.gz JCMZMJNXQHGACK-UHFFFAOYSA-N 1 0 302.334 1.915 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NCCC[NH+]1CCCCCC1 ZINC000066041979 352974807 /nfs/dbraw/zinc/97/48/07/352974807.db2.gz DUDHHTPWEVTLLC-UHFFFAOYSA-N 1 0 323.397 1.482 20 5 DDBDRO CC[NH+]1CCC(CCNC(=O)Cn2cc([N+](=O)[O-])nc2C)CC1 ZINC000174106526 198292452 /nfs/dbraw/zinc/29/24/52/198292452.db2.gz YZYMAXPBYPTDLP-UHFFFAOYSA-N 1 0 323.397 1.338 20 5 DDBDRO CCc1ccc(C(=O)NCC[N@H+](C)CCCOC)cc1[N+](=O)[O-] ZINC000174286952 198315501 /nfs/dbraw/zinc/31/55/01/198315501.db2.gz ZSNDBMWMPXMBQT-UHFFFAOYSA-N 1 0 323.393 1.855 20 5 DDBDRO C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1ccc(N)c([N+](=O)[O-])c1)C2 ZINC000174632177 198362963 /nfs/dbraw/zinc/36/29/63/198362963.db2.gz OOXWIUOCAOPLPH-NWDGAFQWSA-N 1 0 304.350 1.486 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCCc3sccc3C2)c1 ZINC000075718574 353378143 /nfs/dbraw/zinc/37/81/43/353378143.db2.gz ATDQLKUIRBZFFP-ZDUSSCGKSA-N 1 0 322.390 1.662 20 5 DDBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)C[C@H]1COc2ccccc2O1 ZINC000174809300 198387655 /nfs/dbraw/zinc/38/76/55/198387655.db2.gz RCDXYNRODRTKOP-ZDUSSCGKSA-N 1 0 318.333 1.563 20 5 DDBDRO CC[NH+](CC)[C@H]1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000078575648 353523067 /nfs/dbraw/zinc/52/30/67/353523067.db2.gz TVPUECYWZGFMPN-LBPRGKRZSA-N 1 0 306.366 1.614 20 5 DDBDRO CN(CC[NH+](C)C)S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000081067693 353649843 /nfs/dbraw/zinc/64/98/43/353649843.db2.gz RBCMUUQNFGMRFD-UHFFFAOYSA-N 1 0 321.786 1.430 20 5 DDBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+][C@H]1COC[C@H]1O ZINC000601291513 358480649 /nfs/dbraw/zinc/48/06/49/358480649.db2.gz KZIZCKWLRDYPBH-ZGMNHVEMSA-N 1 0 306.362 1.655 20 5 DDBDRO C[C@H](O)[C@H]1CCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000089930603 353783405 /nfs/dbraw/zinc/78/34/05/353783405.db2.gz XHYRNOWWRRLCJY-JQWIXIFHSA-N 1 0 307.350 1.287 20 5 DDBDRO C[C@@]1(C(N)=O)CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000280738395 354423814 /nfs/dbraw/zinc/42/38/14/354423814.db2.gz LZYSRDOEPPJAEB-OAHLLOKOSA-N 1 0 307.350 1.561 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1C[C@H](C[NH3+])Cc2ccccc21 ZINC000328501605 354544843 /nfs/dbraw/zinc/54/48/43/354544843.db2.gz UXGHWUFQWALHAW-NSHDSACASA-N 1 0 314.345 1.711 20 5 DDBDRO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC[C@H]1[NH3+] ZINC000584778885 354766069 /nfs/dbraw/zinc/76/60/69/354766069.db2.gz DGUJLINMNJYMFD-GXFFZTMASA-N 1 0 314.345 1.952 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000346282980 283050848 /nfs/dbraw/zinc/05/08/48/283050848.db2.gz LELIXHLDPHDMED-PWSUYJOCSA-N 1 0 307.350 1.737 20 5 DDBDRO O=C(c1ccc(F)cc1[N+](=O)[O-])N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000588861857 354944375 /nfs/dbraw/zinc/94/43/75/354944375.db2.gz VSYGJQZVQCHZQS-NWDGAFQWSA-N 1 0 323.324 1.015 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000588863023 354944554 /nfs/dbraw/zinc/94/45/54/354944554.db2.gz NYGMJSNDNLUBLN-KGLIPLIRSA-N 1 0 319.361 1.184 20 5 DDBDRO O=[N+]([O-])c1ccc(OCCC[N@H+]2CC[C@H](CO)[C@H](O)C2)cc1 ZINC000588966441 354952673 /nfs/dbraw/zinc/95/26/73/354952673.db2.gz ZIMUGFGVIKAJEX-IUODEOHRSA-N 1 0 310.350 1.039 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)N2CC[C@@H]([NH+](C)C)[C@H]2C)c1[N+](=O)[O-] ZINC000590403648 355085699 /nfs/dbraw/zinc/08/56/99/355085699.db2.gz LLZRDAJUGYRHRW-NXEZZACHSA-N 1 0 309.370 1.606 20 5 DDBDRO C[N@@H+]1CCO[C@H]2CN(c3nccc4c3cccc4[N+](=O)[O-])C[C@H]21 ZINC000590694448 355149379 /nfs/dbraw/zinc/14/93/79/355149379.db2.gz HUHDAXRSLLDTNV-CABCVRRESA-N 1 0 314.345 1.662 20 5 DDBDRO COc1cccc2c1C[N@H+](CCn1ccc([N+](=O)[O-])n1)CC2 ZINC000590759751 355169347 /nfs/dbraw/zinc/16/93/47/355169347.db2.gz JSBWMEDYJVTWJU-UHFFFAOYSA-N 1 0 302.334 1.858 20 5 DDBDRO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCC[C@@](O)(CO)C2)cc1 ZINC000590970138 355225977 /nfs/dbraw/zinc/22/59/77/355225977.db2.gz FIFSYNUHPOIHCU-HNNXBMFYSA-N 1 0 310.350 1.183 20 5 DDBDRO Cn1nccc1[C@H](CO)[NH2+]CCCOc1ccc([N+](=O)[O-])cc1 ZINC000590971504 355227082 /nfs/dbraw/zinc/22/70/82/355227082.db2.gz HGLSMVWREVXVHP-AWEZNQCLSA-N 1 0 320.349 1.420 20 5 DDBDRO C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000591083758 355245670 /nfs/dbraw/zinc/24/56/70/355245670.db2.gz DPLHDZOLGYCNDL-ARLBYUKCSA-N 1 0 315.373 1.861 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000591299539 355283282 /nfs/dbraw/zinc/28/32/82/355283282.db2.gz RGNXXTACNWLLOT-JTQLQIEISA-N 1 0 308.338 1.867 20 5 DDBDRO C[C@]1(c2ccccc2)C[C@H]1[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000591744228 355376529 /nfs/dbraw/zinc/37/65/29/355376529.db2.gz GQVWIPRTKIVGGM-ARFHVFGLSA-N 1 0 316.361 1.472 20 5 DDBDRO CC(C)(C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccncc1 ZINC000591757460 355378739 /nfs/dbraw/zinc/37/87/39/355378739.db2.gz HCAWXYVZIPSZNX-AWEZNQCLSA-N 1 0 319.365 1.115 20 5 DDBDRO O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000591686218 355362335 /nfs/dbraw/zinc/36/23/35/355362335.db2.gz UQFMCHXJOJESBH-UWVGGRQHSA-N 1 0 318.308 1.573 20 5 DDBDRO CC[C@@H]1CN(C(=O)c2ccc(NC)c([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000592332329 355561128 /nfs/dbraw/zinc/56/11/28/355561128.db2.gz WOKUIUCFNRBELN-PWSUYJOCSA-N 1 0 306.366 1.836 20 5 DDBDRO COc1cccc(C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)c1[N+](=O)[O-] ZINC000592244273 355546215 /nfs/dbraw/zinc/54/62/15/355546215.db2.gz GOAZRFDOKSUSEL-ZYHUDNBSSA-N 1 0 305.334 1.427 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000592307852 355556228 /nfs/dbraw/zinc/55/62/28/355556228.db2.gz JSCWELPEDVQIGQ-FZMZJTMJSA-N 1 0 307.350 1.400 20 5 DDBDRO COc1ccc(CC(=O)N[C@H]2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000592328340 355559959 /nfs/dbraw/zinc/55/99/59/355559959.db2.gz DGNGQDUSTUOBAL-LBPRGKRZSA-N 1 0 307.350 1.404 20 5 DDBDRO C[NH+]1CCC2(CC1)CN(Cc1ccc([N+](=O)[O-])cc1)CCO2 ZINC000592182199 355526945 /nfs/dbraw/zinc/52/69/45/355526945.db2.gz MBTQOIKMKUBUGN-UHFFFAOYSA-N 1 0 305.378 1.891 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@H]2CC[C@H](O)C2)c1 ZINC000592431294 355581651 /nfs/dbraw/zinc/58/16/51/355581651.db2.gz BBCLDBHNVLIECF-FPMFFAJLSA-N 1 0 310.350 1.085 20 5 DDBDRO CN(CCC[NH3+])CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000592473927 355593677 /nfs/dbraw/zinc/59/36/77/355593677.db2.gz VNUVXLNLZGWULY-UHFFFAOYSA-N 1 0 300.746 1.467 20 5 DDBDRO CC[C@@H]1CN(CC(=O)Nc2c(C)cccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000592485577 355595987 /nfs/dbraw/zinc/59/59/87/355595987.db2.gz IWPWZQIQDAVJDH-CHWSQXEVSA-N 1 0 320.393 1.901 20 5 DDBDRO CC[C@@H]1CN([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000592489417 355598175 /nfs/dbraw/zinc/59/81/75/355598175.db2.gz VDPGKZJUSSPGBV-YNEHKIRRSA-N 1 0 320.393 1.981 20 5 DDBDRO CC[C@@H]1CN(C(=O)CCOc2ccccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000592545186 355623364 /nfs/dbraw/zinc/62/33/64/355623364.db2.gz PACJHZXTPJRFOJ-OLZOCXBDSA-N 1 0 321.377 1.950 20 5 DDBDRO Nc1c(C(=O)N[C@H]2CC[NH2+]C3(CCC3)C2)cccc1[N+](=O)[O-] ZINC000592568569 355632805 /nfs/dbraw/zinc/63/28/05/355632805.db2.gz MUFNOSOVAZXLJO-JTQLQIEISA-N 1 0 304.350 1.582 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[N@H+](C)[C@@H](C)[C@H]2C)c1 ZINC000593019057 355771334 /nfs/dbraw/zinc/77/13/34/355771334.db2.gz DGQLKQOJIFOPFB-NWDGAFQWSA-N 1 0 321.377 1.906 20 5 DDBDRO CCC[C@@H](C)[C@H](CO)[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000593050201 355780401 /nfs/dbraw/zinc/78/04/01/355780401.db2.gz CUJBHKRQUCRSGD-MFKMUULPSA-N 1 0 309.366 1.580 20 5 DDBDRO C[C@@H]1CC[N@H+](CCNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000593499001 355904889 /nfs/dbraw/zinc/90/48/89/355904889.db2.gz KPIBXVOZMQALDS-LLVKDONJSA-N 1 0 309.341 1.734 20 5 DDBDRO O=[N+]([O-])c1cccc2c1ccnc2N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000593504523 355906256 /nfs/dbraw/zinc/90/62/56/355906256.db2.gz OPANSOWKSDKZJT-GFCCVEGCSA-N 1 0 314.345 1.398 20 5 DDBDRO COc1cc(OCC(=O)NCCC2(C[NH3+])CC2)ccc1[N+](=O)[O-] ZINC000593914719 356057493 /nfs/dbraw/zinc/05/74/93/356057493.db2.gz PNQORHPGFLZCET-UHFFFAOYSA-N 1 0 323.349 1.227 20 5 DDBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000594434300 356212063 /nfs/dbraw/zinc/21/20/63/356212063.db2.gz MVKYITNWFCTLIL-ZBFHGGJFSA-N 1 0 319.361 1.480 20 5 DDBDRO O=[N+]([O-])c1cccc2c1ccnc2N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000594604121 356262565 /nfs/dbraw/zinc/26/25/65/356262565.db2.gz QVHCDSNDCRILKO-NWDGAFQWSA-N 1 0 314.345 1.398 20 5 DDBDRO [NH3+]C[C@H](NC(=O)NCCc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000594523970 356242349 /nfs/dbraw/zinc/24/23/49/356242349.db2.gz FZDRZUWSMRNNJA-JTQLQIEISA-N 1 0 320.271 1.326 20 5 DDBDRO C[C@]1(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1(F)F ZINC000594732744 356300808 /nfs/dbraw/zinc/30/08/08/356300808.db2.gz MPMCHYGBSPZXKS-ZWNOBZJWSA-N 1 0 316.304 1.969 20 5 DDBDRO COc1cc(C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)cc([N+](=O)[O-])c1C ZINC000595260992 356424791 /nfs/dbraw/zinc/42/47/91/356424791.db2.gz QPOXODPZFGIRJU-GHMZBOCLSA-N 1 0 311.313 1.423 20 5 DDBDRO Cc1noc(C[N@@H+]2CCCC[C@@H]2[C@H]2CNC(=O)C2)c1[N+](=O)[O-] ZINC000595406329 356481568 /nfs/dbraw/zinc/48/15/68/356481568.db2.gz BXHCMZIXAODAHS-GHMZBOCLSA-N 1 0 308.338 1.382 20 5 DDBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)Nc2cnccn2)cc1[N+](=O)[O-] ZINC000595420112 356485382 /nfs/dbraw/zinc/48/53/82/356485382.db2.gz NQCVXKCWZFHOHD-LLVKDONJSA-N 1 0 315.333 1.983 20 5 DDBDRO C[C@H](NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)c1nccn1C ZINC000595381990 356473279 /nfs/dbraw/zinc/47/32/79/356473279.db2.gz AVGSZRIUKRUTFZ-JTQLQIEISA-N 1 0 324.362 1.509 20 5 DDBDRO CN(CC(=O)N1CCC[C@H](C[NH3+])C1)c1ccccc1[N+](=O)[O-] ZINC000237043084 202131867 /nfs/dbraw/zinc/13/18/67/202131867.db2.gz ISGNUEAIIJVJPP-GFCCVEGCSA-N 1 0 306.366 1.228 20 5 DDBDRO CC(C)NC(=O)[C@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000595851417 356677034 /nfs/dbraw/zinc/67/70/34/356677034.db2.gz SCYNLXNFNMKQAV-LBPRGKRZSA-N 1 0 309.370 1.028 20 5 DDBDRO C[N@@H+](CC1=CCSC1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000595888444 356692713 /nfs/dbraw/zinc/69/27/13/356692713.db2.gz MCQQTXVCSRJBFU-CYBMUJFWSA-N 1 0 324.402 1.940 20 5 DDBDRO [NH3+]C[C@H]1CCc2ccccc2N1CCn1cc([N+](=O)[O-])cn1 ZINC000595902653 356698093 /nfs/dbraw/zinc/69/80/93/356698093.db2.gz DBPODZWPJUBTDG-CYBMUJFWSA-N 1 0 301.350 1.571 20 5 DDBDRO [NH3+]C[C@@H]1CCc2ccccc2N1CCn1ccc([N+](=O)[O-])n1 ZINC000595903485 356698725 /nfs/dbraw/zinc/69/87/25/356698725.db2.gz UZEUHEHYFZKQJZ-ZDUSSCGKSA-N 1 0 301.350 1.571 20 5 DDBDRO O=C(NCC12CC(C1)C[NH2+]2)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000595952052 356720735 /nfs/dbraw/zinc/72/07/35/356720735.db2.gz WQHARTSNIBHABU-UHFFFAOYSA-N 1 0 301.302 1.823 20 5 DDBDRO C[C@@]1(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC[NH2+]C1 ZINC000595990655 356738079 /nfs/dbraw/zinc/73/80/79/356738079.db2.gz AVRABSFKAAXYHL-OAHLLOKOSA-N 1 0 315.333 1.262 20 5 DDBDRO C[C@]1(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC[NH2+]C1 ZINC000595992949 356739366 /nfs/dbraw/zinc/73/93/66/356739366.db2.gz USICZDJJVPQQEG-INIZCTEOSA-N 1 0 318.377 1.677 20 5 DDBDRO Cn1c(C(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)ccc1[N+](=O)[O-] ZINC000595932978 356710886 /nfs/dbraw/zinc/71/08/86/356710886.db2.gz FRKVHHFTBGHGKF-CYBMUJFWSA-N 1 0 320.393 1.785 20 5 DDBDRO NC(=O)c1cc(NC2CC[NH+](C3CC3)CC2)ccc1[N+](=O)[O-] ZINC000596065946 356759482 /nfs/dbraw/zinc/75/94/82/356759482.db2.gz KWZRRPHAAPZLDP-UHFFFAOYSA-N 1 0 304.350 1.732 20 5 DDBDRO CCSC1(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000596067266 356760270 /nfs/dbraw/zinc/76/02/70/356760270.db2.gz YGDKVWPHYLADEN-NSHDSACASA-N 1 0 300.384 1.028 20 5 DDBDRO CN(c1ccc([N+](=O)[O-])c(C(N)=O)c1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000596119883 356780280 /nfs/dbraw/zinc/78/02/80/356780280.db2.gz DMEBYVKOUUGEAA-LBPRGKRZSA-N 1 0 304.350 1.367 20 5 DDBDRO CC[NH+]1CCN(CCNc2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC000596072865 356762450 /nfs/dbraw/zinc/76/24/50/356762450.db2.gz AHXYOJKIPSCCID-UHFFFAOYSA-N 1 0 319.409 1.612 20 5 DDBDRO CC(C)c1ccc(CN2CCOC3(C[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000596102737 356771765 /nfs/dbraw/zinc/77/17/65/356771765.db2.gz XDLFHYGSDKZXNZ-UHFFFAOYSA-N 1 0 305.378 1.892 20 5 DDBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596232915 356825964 /nfs/dbraw/zinc/82/59/64/356825964.db2.gz UCLKDFINMJJDFD-AAEUAGOBSA-N 1 0 318.377 1.757 20 5 DDBDRO CC(C)(C)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596336036 356860102 /nfs/dbraw/zinc/86/01/02/356860102.db2.gz KZGKBECPQAIGHK-NSHDSACASA-N 1 0 306.366 1.978 20 5 DDBDRO Cc1ccnc(N2CCC([N@@H+]3CC[C@H](O)C3)CC2)c1[N+](=O)[O-] ZINC000596537459 356910553 /nfs/dbraw/zinc/91/05/53/356910553.db2.gz GPAZZBLEXFKPBT-ZDUSSCGKSA-N 1 0 306.366 1.334 20 5 DDBDRO COc1cccc(N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c1[N+](=O)[O-] ZINC000596540543 356911383 /nfs/dbraw/zinc/91/13/83/356911383.db2.gz UISGTZUNGIDHKQ-CYBMUJFWSA-N 1 0 321.377 1.639 20 5 DDBDRO C[NH+](C)CC1CN(C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000597705527 357293667 /nfs/dbraw/zinc/29/36/67/357293667.db2.gz GINGRKZFNDXMCK-UHFFFAOYSA-N 1 0 319.361 1.578 20 5 DDBDRO CCN(C(=O)Cn1cc([N+](=O)[O-])nc1C)[C@@H]1CC[N@H+](CC)C1 ZINC000598043207 357440831 /nfs/dbraw/zinc/44/08/31/357440831.db2.gz RYFBXXWLUQISPZ-GFCCVEGCSA-N 1 0 309.370 1.042 20 5 DDBDRO CCN(C(=O)COc1ccccc1[N+](=O)[O-])[C@H]1CC[N@H+](C)C1 ZINC000597944573 357394079 /nfs/dbraw/zinc/39/40/79/357394079.db2.gz FPZDIILZZCGZOR-LBPRGKRZSA-N 1 0 307.350 1.526 20 5 DDBDRO CN(CC1C[NH+](C)C1)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000598161993 357478526 /nfs/dbraw/zinc/47/85/26/357478526.db2.gz FPJYJECGLFNLNW-UHFFFAOYSA-N 1 0 302.334 1.710 20 5 DDBDRO C[C@H](CO)[C@H](C)[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000358800873 299260559 /nfs/dbraw/zinc/26/05/59/299260559.db2.gz BGUIORXPJAWHTF-ZJUUUORDSA-N 1 0 306.322 1.751 20 5 DDBDRO C[NH+](C)CCC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cn2)CCO1 ZINC000598539614 357626930 /nfs/dbraw/zinc/62/69/30/357626930.db2.gz JENDIGNEPZIPHQ-ZDUSSCGKSA-N 1 0 322.365 1.173 20 5 DDBDRO COc1ccc(C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)cc1[N+](=O)[O-] ZINC000598667421 357677527 /nfs/dbraw/zinc/67/75/27/357677527.db2.gz GNJUKGDWYILGSH-ABAIWWIYSA-N 1 0 305.334 1.557 20 5 DDBDRO O=C(NCCC[C@H]1CCC[NH2+]1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598915143 357757636 /nfs/dbraw/zinc/75/76/36/357757636.db2.gz IMSVYGAJNRPCQR-LLVKDONJSA-N 1 0 320.349 1.182 20 5 DDBDRO Cc1noc([C@@H]2OCC[C@@H]2[NH2+]Cc2ccc([N+](=O)[O-])cc2)n1 ZINC000599020466 357796114 /nfs/dbraw/zinc/79/61/14/357796114.db2.gz OAKGWKHVQDJYLQ-QWHCGFSZSA-N 1 0 304.306 1.906 20 5 DDBDRO COc1cc(C[NH2+]CCN(C)CC(F)F)c([N+](=O)[O-])cc1O ZINC000599021872 357796507 /nfs/dbraw/zinc/79/65/07/357796507.db2.gz FADRQCFEBYXOKE-UHFFFAOYSA-N 1 0 319.308 1.596 20 5 DDBDRO O=[N+]([O-])c1c2ccncc2ccc1N1CC[C@@H](CO)[C@@H](O)C1 ZINC000599078637 357808674 /nfs/dbraw/zinc/80/86/74/357808674.db2.gz JCQDEAYYHPCCJC-FZMZJTMJSA-N 1 0 303.318 1.323 20 5 DDBDRO C[C@@H]1CC[C@@H](NS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C[NH2+]1 ZINC000599106526 357817700 /nfs/dbraw/zinc/81/77/00/357817700.db2.gz UHONDGPOTSTKPK-ZYHUDNBSSA-N 1 0 313.379 1.155 20 5 DDBDRO CC1([NH+]2CCOCC2)CCN(c2ccc(N)c([N+](=O)[O-])n2)CC1 ZINC000599160606 357833498 /nfs/dbraw/zinc/83/34/98/357833498.db2.gz OGJBHRPCNZNFFI-UHFFFAOYSA-N 1 0 321.381 1.263 20 5 DDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCC1([NH3+])CCOCC1 ZINC000599606690 357991211 /nfs/dbraw/zinc/99/12/11/357991211.db2.gz ZDHHRCJOTHAEGO-UHFFFAOYSA-N 1 0 322.365 1.787 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000599790198 358059428 /nfs/dbraw/zinc/05/94/28/358059428.db2.gz BEESUKBQMODZKE-LBPRGKRZSA-N 1 0 322.365 1.400 20 5 DDBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[NH2+]C12CCC2 ZINC000599908011 358078777 /nfs/dbraw/zinc/07/87/77/358078777.db2.gz RGSZWMDASWQYSV-AWEZNQCLSA-N 1 0 318.377 1.721 20 5 DDBDRO Cc1c(CNC(=O)NCCOCCC[NH3+])cccc1[N+](=O)[O-] ZINC000599918852 358080297 /nfs/dbraw/zinc/08/02/97/358080297.db2.gz RFPLDYSLYDUHME-UHFFFAOYSA-N 1 0 310.354 1.068 20 5 DDBDRO C[C@H]1CC[C@@H](NC(=O)NCCOc2ccc([N+](=O)[O-])cc2)C[NH2+]1 ZINC000599924763 358082209 /nfs/dbraw/zinc/08/22/09/358082209.db2.gz OXHOLJNKTBLYDR-NWDGAFQWSA-N 1 0 322.365 1.413 20 5 DDBDRO CC[C@@H]([NH2+]CCNC(=O)c1ccn[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000180224522 199133139 /nfs/dbraw/zinc/13/31/39/199133139.db2.gz IFVWRBGSVLFQFU-CYBMUJFWSA-N 1 0 317.349 1.789 20 5 DDBDRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000237322263 202232072 /nfs/dbraw/zinc/23/20/72/202232072.db2.gz WLSXNOCPFRHSCJ-ZJUUUORDSA-N 1 0 322.321 1.702 20 5 DDBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]C[C@H]3COCCN3)o2)c1 ZINC000600678507 358280492 /nfs/dbraw/zinc/28/04/92/358280492.db2.gz RPUWFGFAXTYVFA-ZDUSSCGKSA-N 1 0 317.345 1.933 20 5 DDBDRO C[C@@H]1[NH2+]CC[C@H]1N[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000600712893 358291500 /nfs/dbraw/zinc/29/15/00/358291500.db2.gz CJGTZRJSCUAJHE-GLQYFDAESA-N 1 0 315.377 1.758 20 5 DDBDRO Cc1ncccc1C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000600762305 358310356 /nfs/dbraw/zinc/31/03/56/358310356.db2.gz QHDTXHDJQIZBLS-OAHLLOKOSA-N 1 0 317.345 1.828 20 5 DDBDRO COC(C[N@H+](CCCO)Cc1cccc([N+](=O)[O-])c1C)OC ZINC000180637606 199188831 /nfs/dbraw/zinc/18/88/31/199188831.db2.gz NOSNEAKQTAFIEM-UHFFFAOYSA-N 1 0 312.366 1.707 20 5 DDBDRO C[NH2+]C1(CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CCC1 ZINC000600822859 358325509 /nfs/dbraw/zinc/32/55/09/358325509.db2.gz BKIJNSVEQCZMFX-UHFFFAOYSA-N 1 0 321.333 1.238 20 5 DDBDRO Cc1cc(S(=O)(=O)N[C@H](C)CC[NH+](C)C)c([N+](=O)[O-])s1 ZINC000601357320 358514739 /nfs/dbraw/zinc/51/47/39/358514739.db2.gz QPSJGKRIYJQPDL-MRVPVSSYSA-N 1 0 321.424 1.583 20 5 DDBDRO C[NH+](C)[C@@]1(CNc2ncc(F)cc2[N+](=O)[O-])CCSC1 ZINC000601124000 358411861 /nfs/dbraw/zinc/41/18/61/358411861.db2.gz BFNBMXRZKDWQMO-GFCCVEGCSA-N 1 0 300.359 1.978 20 5 DDBDRO CN(CCC[NH+](C)C)c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601138009 358417724 /nfs/dbraw/zinc/41/77/24/358417724.db2.gz MCIIITXEAVRPSM-UHFFFAOYSA-N 1 0 309.292 1.735 20 5 DDBDRO O=[N+]([O-])c1ccc2nccc(N3CC[N@@H+]4C[C@H](O)C[C@H]4C3)c2c1 ZINC000601186947 358439460 /nfs/dbraw/zinc/43/94/60/358439460.db2.gz HROASIYTTGZWSJ-QWHCGFSZSA-N 1 0 314.345 1.398 20 5 DDBDRO CCOc1cc(N2CCC[C@@](O)(C[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000601189566 358439966 /nfs/dbraw/zinc/43/99/66/358439966.db2.gz SFFBFSGAVUHWOL-MRXNPFEDSA-N 1 0 323.393 1.886 20 5 DDBDRO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000601558032 358599979 /nfs/dbraw/zinc/59/99/79/358599979.db2.gz QHBQZTHHBLDCBL-IINYFYTJSA-N 1 0 307.325 1.948 20 5 DDBDRO C[N@@H+]1CC[C@]2(CCN(C(=O)c3c(F)cccc3[N+](=O)[O-])C2)C1 ZINC000601596467 358617624 /nfs/dbraw/zinc/61/76/24/358617624.db2.gz ONZFQMSWXOKCIQ-HNNXBMFYSA-N 1 0 307.325 1.902 20 5 DDBDRO COc1ccc(C(=O)N2CCC[C@H]3C[NH2+]CC[C@@H]32)cc1[N+](=O)[O-] ZINC000601556450 358599379 /nfs/dbraw/zinc/59/93/79/358599379.db2.gz LPLLYIOMIFOUHY-STQMWFEESA-N 1 0 319.361 1.818 20 5 DDBDRO CCOc1cc(C[NH2+][C@@H]2CCC[C@@H]2C(=O)NC)ccc1[N+](=O)[O-] ZINC000348146814 283390008 /nfs/dbraw/zinc/39/00/08/283390008.db2.gz FTSYPIIMVFWLNG-QWHCGFSZSA-N 1 0 321.377 1.998 20 5 DDBDRO C[C@H]1CC[N@H+](CC(=O)N[C@](C)(CO)c2cccc([N+](=O)[O-])c2)C1 ZINC000601776161 358690740 /nfs/dbraw/zinc/69/07/40/358690740.db2.gz HICOPDMTSNUAEB-BLLLJJGKSA-N 1 0 321.377 1.260 20 5 DDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000601975494 358761900 /nfs/dbraw/zinc/76/19/00/358761900.db2.gz WBJSKTQIJPFUBM-UTUOFQBUSA-N 1 0 305.334 1.500 20 5 DDBDRO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1OC ZINC000348154478 283393253 /nfs/dbraw/zinc/39/32/53/283393253.db2.gz WDBZPOIYIRJCJF-STQMWFEESA-N 1 0 307.350 1.608 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000602071846 358801709 /nfs/dbraw/zinc/80/17/09/358801709.db2.gz GYVVJBHJHLDNGZ-ZDUSSCGKSA-N 1 0 307.350 1.704 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[NH2+]C12CCC2 ZINC000602524338 359025020 /nfs/dbraw/zinc/02/50/20/359025020.db2.gz BZZIGUJHKGTNCX-ZDUSSCGKSA-N 1 0 305.334 1.374 20 5 DDBDRO CN1CCC[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000602526494 359026987 /nfs/dbraw/zinc/02/69/87/359026987.db2.gz KOPKPSQEKOQTKL-AWEZNQCLSA-N 1 0 319.409 1.642 20 5 DDBDRO O=[N+]([O-])c1ccc(CC[NH2+]CC2(OCCO)CCOCC2)cc1 ZINC000602659694 359106871 /nfs/dbraw/zinc/10/68/71/359106871.db2.gz VINSJXRRUAKCBX-UHFFFAOYSA-N 1 0 324.377 1.285 20 5 DDBDRO C[C@@H](CO)CCC[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602580620 359054194 /nfs/dbraw/zinc/05/41/94/359054194.db2.gz XRWKZWIPGUCACM-CYBMUJFWSA-N 1 0 322.409 1.957 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CCN1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000602782542 359187304 /nfs/dbraw/zinc/18/73/04/359187304.db2.gz CSJMQSHSYFHWGH-KGLIPLIRSA-N 1 0 307.398 1.516 20 5 DDBDRO COC(=O)CC1([NH2+]Cc2cn(C)nc2[N+](=O)[O-])CCCCC1 ZINC000602794008 359196477 /nfs/dbraw/zinc/19/64/77/359196477.db2.gz CKPBBNNJABXMTE-UHFFFAOYSA-N 1 0 310.354 1.684 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000602843984 359232236 /nfs/dbraw/zinc/23/22/36/359232236.db2.gz ZSJUBFRHMHNNGK-BNOWGMLFSA-N 1 0 308.382 1.893 20 5 DDBDRO Cn1cc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)c([N+](=O)[O-])n1 ZINC000602822350 359216890 /nfs/dbraw/zinc/21/68/90/359216890.db2.gz RUFPZLWNHUPWMO-UPJWGTAASA-N 1 0 306.366 1.766 20 5 DDBDRO C[C@@](CO)([NH2+]CCOCC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000602965499 359329382 /nfs/dbraw/zinc/32/93/82/359329382.db2.gz HBDWYINPLFCTGF-LBPRGKRZSA-N 1 0 322.283 1.971 20 5 DDBDRO O=[N+]([O-])c1ccccc1OCCn1cc(C[C@@H]2CC[NH2+]C2)nn1 ZINC000603201513 359476608 /nfs/dbraw/zinc/47/66/08/359476608.db2.gz QHWCZVXUUJFSGV-LBPRGKRZSA-N 1 0 317.349 1.417 20 5 DDBDRO COc1cc(Cn2cc(CC[NH+](C)C)nn2)ccc1[N+](=O)[O-] ZINC000603243037 359509202 /nfs/dbraw/zinc/50/92/02/359509202.db2.gz HPLQJTSEWMYWGO-UHFFFAOYSA-N 1 0 305.338 1.347 20 5 DDBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)CC[N@H+](C)C1CC1 ZINC000186742887 200001872 /nfs/dbraw/zinc/00/18/72/200001872.db2.gz ZXRDWHAKFCYECK-LBPRGKRZSA-N 1 0 320.393 1.948 20 5 DDBDRO C[C@@H]1CCC[N@H+](CCNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000186939485 200034694 /nfs/dbraw/zinc/03/46/94/200034694.db2.gz HGYMJYAGONHQEE-SNVBAGLBSA-N 1 0 308.338 1.157 20 5 DDBDRO CN(CCCC[NH+]1CCCCC1)C(=O)c1c([N+](=O)[O-])cnn1C ZINC000603407432 359621778 /nfs/dbraw/zinc/62/17/78/359621778.db2.gz SGQLJWSIUZKQEY-UHFFFAOYSA-N 1 0 323.397 1.666 20 5 DDBDRO O=[N+]([O-])c1cnc2ccccc2c1NC[C@H]1CSCC[NH2+]1 ZINC000603420646 359629618 /nfs/dbraw/zinc/62/96/18/359629618.db2.gz VOUPKQFUIBWSQW-JTQLQIEISA-N 1 0 304.375 1.682 20 5 DDBDRO C[N@@H+]1CCN(C(=O)NCCc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000603431882 359636703 /nfs/dbraw/zinc/63/67/03/359636703.db2.gz HUXPYFIJIBPGLU-UHFFFAOYSA-N 1 0 320.393 1.873 20 5 DDBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)CC[C@@H]21 ZINC000187194760 200075103 /nfs/dbraw/zinc/07/51/03/200075103.db2.gz DMBWAIRPECDWNB-PWSUYJOCSA-N 1 0 320.349 1.252 20 5 DDBDRO [NH3+]CCCOC1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000237825310 202365047 /nfs/dbraw/zinc/36/50/47/202365047.db2.gz KSYCSRXBCQZCDM-UHFFFAOYSA-N 1 0 307.350 1.565 20 5 DDBDRO CN(CC1([NH+](C)C)CCC1)c1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000188518220 200259677 /nfs/dbraw/zinc/25/96/77/200259677.db2.gz RAAJKDWWTBZLNX-UHFFFAOYSA-N 1 0 306.366 1.614 20 5 DDBDRO C[NH2+]C1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000429401179 283496970 /nfs/dbraw/zinc/49/69/70/283496970.db2.gz GITCRZVGBXVVAJ-UHFFFAOYSA-N 1 0 321.333 1.190 20 5 DDBDRO Cc1c(C(=O)N[C@H]2CCC[NH2+]C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000237846374 202369011 /nfs/dbraw/zinc/36/90/11/202369011.db2.gz KKMLJGLXTUCSLF-JTQLQIEISA-N 1 0 322.321 1.602 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000188672902 200285338 /nfs/dbraw/zinc/28/53/38/200285338.db2.gz XIBYDDWXVAHZFK-UHFFFAOYSA-N 1 0 315.333 1.019 20 5 DDBDRO CC[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C[C@H]1CCOC1 ZINC000609631596 360339814 /nfs/dbraw/zinc/33/98/14/360339814.db2.gz DQTCOJWHSLLRIN-LLVKDONJSA-N 1 0 307.350 1.552 20 5 DDBDRO C[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C(C)(C)CO ZINC000609894816 360362793 /nfs/dbraw/zinc/36/27/93/360362793.db2.gz AJXNLZKNPSUHHP-UHFFFAOYSA-N 1 0 307.350 1.187 20 5 DDBDRO C[N@H+](CC(=O)NCCNc1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000610392466 360424850 /nfs/dbraw/zinc/42/48/50/360424850.db2.gz XWJWSAXKNXKDKS-UHFFFAOYSA-N 1 0 306.366 1.607 20 5 DDBDRO C[C@H]([NH2+]CCCN(C)S(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000610420403 360430661 /nfs/dbraw/zinc/43/06/61/360430661.db2.gz PFKGIWMADRJWJM-NSHDSACASA-N 1 0 315.395 1.527 20 5 DDBDRO COCC1([N@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000611178927 360650202 /nfs/dbraw/zinc/65/02/02/360650202.db2.gz TXBYYQACUQCZKY-CYBMUJFWSA-N 1 0 310.350 1.445 20 5 DDBDRO C[NH+](C)CCOc1cc(NC(=O)c2ccc([N+](=O)[O-])o2)ccn1 ZINC000611447576 360722673 /nfs/dbraw/zinc/72/26/73/360722673.db2.gz ZBGKFFNYWJWNNO-UHFFFAOYSA-N 1 0 320.305 1.776 20 5 DDBDRO O=C(C[NH2+]C1(CO)CCCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000611463016 360724216 /nfs/dbraw/zinc/72/42/16/360724216.db2.gz MOTQSXPXPZVQTQ-UHFFFAOYSA-N 1 0 307.350 1.818 20 5 DDBDRO CCO[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000612030395 360894247 /nfs/dbraw/zinc/89/42/47/360894247.db2.gz UMSDEWJTKNQMKR-ZIAGYGMSSA-N 1 0 324.377 1.835 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000618896872 363787095 /nfs/dbraw/zinc/78/70/95/363787095.db2.gz DQXCCKFFHKWSGJ-UHFFFAOYSA-N 1 0 315.333 1.291 20 5 DDBDRO Cc1cc(C(=O)N2CCC[C@](O)(C[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000618923045 363802872 /nfs/dbraw/zinc/80/28/72/363802872.db2.gz BPZWPULPUCGVTG-INIZCTEOSA-N 1 0 321.377 1.432 20 5 DDBDRO CC[N@@H+]1CCN(C(=O)COc2ccc([N+](=O)[O-])c(C)c2)C[C@H]1C ZINC000619537147 364052484 /nfs/dbraw/zinc/05/24/84/364052484.db2.gz ZGUXZJMKMIUAGR-CYBMUJFWSA-N 1 0 321.377 1.835 20 5 DDBDRO C[NH2+][C@H](C)CNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000261723705 203103270 /nfs/dbraw/zinc/10/32/70/203103270.db2.gz KYMCMBAGATUJCO-SECBINFHSA-N 1 0 315.757 1.741 20 5 DDBDRO C[C@H]1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)[C@H](C[NH3+])C1 ZINC000261729549 203103697 /nfs/dbraw/zinc/10/36/97/203103697.db2.gz HOENHBNUUQHUBQ-ONGXEEELSA-N 1 0 317.349 1.671 20 5 DDBDRO O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC2(CC[NH2+]C2)CC1 ZINC000261849881 203134449 /nfs/dbraw/zinc/13/44/49/203134449.db2.gz QKDKMBGFVGDAJG-UHFFFAOYSA-N 1 0 307.325 1.950 20 5 DDBDRO Nc1c(C(=O)N2CCC3(CC[NH2+]C3)CC2)cc(F)cc1[N+](=O)[O-] ZINC000261907239 203149649 /nfs/dbraw/zinc/14/96/49/203149649.db2.gz WZXUWPACIOBRAM-UHFFFAOYSA-N 1 0 322.340 1.532 20 5 DDBDRO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000262741872 203397425 /nfs/dbraw/zinc/39/74/25/203397425.db2.gz DXTLNTSYLSMOFW-DTWKUNHWSA-N 1 0 303.322 1.294 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H](C)N1CC[NH+](C)CC1 ZINC000263792969 203568551 /nfs/dbraw/zinc/56/85/51/203568551.db2.gz RAGBUNWVSYYYCP-CYBMUJFWSA-N 1 0 320.393 1.269 20 5 DDBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000264683935 204077332 /nfs/dbraw/zinc/07/73/32/204077332.db2.gz LFYNKGWMZAZFTH-AWEZNQCLSA-N 1 0 321.377 1.964 20 5 DDBDRO CCOC[C@@H](O)C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000264948040 204294233 /nfs/dbraw/zinc/29/42/33/204294233.db2.gz ASCIYOLJLPGLPK-HNNXBMFYSA-N 1 0 309.366 1.114 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCCN(c3nccs3)CC2)c1 ZINC000265968213 205006819 /nfs/dbraw/zinc/00/68/19/205006819.db2.gz AGORJCQPYXXREN-UHFFFAOYSA-N 1 0 322.394 1.460 20 5 DDBDRO C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1Cc2ccccc2C1 ZINC000266504462 205394828 /nfs/dbraw/zinc/39/48/28/205394828.db2.gz AGTQWGMXVJIRTA-MRXNPFEDSA-N 1 0 316.361 1.251 20 5 DDBDRO CCC(CC)(C[NH3+])C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000161168804 197471668 /nfs/dbraw/zinc/47/16/68/197471668.db2.gz DRIVXXXAQRXXPX-UHFFFAOYSA-N 1 0 308.382 1.888 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@]2(CC[NH2+]C2)C1 ZINC000360552890 306985293 /nfs/dbraw/zinc/98/52/93/306985293.db2.gz PQMKSDSSOZXTAL-INIZCTEOSA-N 1 0 318.377 1.527 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@H]1[C@H]1CCCOC1 ZINC000566970904 304190752 /nfs/dbraw/zinc/19/07/52/304190752.db2.gz FTBPAXBKLFNIOO-ZFWWWQNUSA-N 1 0 321.377 1.648 20 5 DDBDRO Cc1ccc(S(=O)(=O)N2CCC(C[NH3+])CC2)cc1[N+](=O)[O-] ZINC000036296692 182814138 /nfs/dbraw/zinc/81/41/38/182814138.db2.gz ONMDKFVOKXPXGD-UHFFFAOYSA-N 1 0 313.379 1.263 20 5 DDBDRO C[C@@H](CO)[C@@H](C)[NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000274042311 211299292 /nfs/dbraw/zinc/29/92/92/211299292.db2.gz ORNJLDWOWZEJMU-DTWKUNHWSA-N 1 0 315.757 1.793 20 5 DDBDRO C[C@@H](CNc1ncc([N+](=O)[O-])cc1C(N)=O)[N@@H+]1CCCC[C@H]1C ZINC000339003573 250241440 /nfs/dbraw/zinc/24/14/40/250241440.db2.gz OCJKYRYAEGHHQS-MNOVXSKESA-N 1 0 321.381 1.764 20 5 DDBDRO C[C@H](CC[NH+](C)C)NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000273716040 211000596 /nfs/dbraw/zinc/00/05/96/211000596.db2.gz QWPLJYSDGDZFKN-LLVKDONJSA-N 1 0 315.395 1.354 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[C@@H]([NH+](C)C)C1 ZINC000109808099 194287653 /nfs/dbraw/zinc/28/76/53/194287653.db2.gz IKEGSGFHYNYGMY-CYBMUJFWSA-N 1 0 320.393 1.868 20 5 DDBDRO COC(=O)[C@H]1CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000340407408 251051189 /nfs/dbraw/zinc/05/11/89/251051189.db2.gz KSMBDZAHCOCBFD-LBPRGKRZSA-N 1 0 308.334 1.859 20 5 DDBDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000340472095 251072499 /nfs/dbraw/zinc/07/24/99/251072499.db2.gz AOIUPGQMHVSXAJ-LLVKDONJSA-N 1 0 310.354 1.010 20 5 DDBDRO COc1ccc(CC(=O)N[C@@H]2[C@H](C)CC[NH2+][C@@H]2C)cc1[N+](=O)[O-] ZINC000567672208 304232566 /nfs/dbraw/zinc/23/25/66/304232566.db2.gz LUGPDVOOQSMHHY-GLKRBJQHSA-N 1 0 321.377 1.649 20 5 DDBDRO Cc1c(Cl)cc(S(=O)(=O)NCC[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000063170847 184275787 /nfs/dbraw/zinc/27/57/87/184275787.db2.gz XQWSSTZFDTVTCK-ZETCQYMHSA-N 1 0 321.786 1.572 20 5 DDBDRO Cc1c(NC(=O)CC[N@H+](CC(N)=O)C(C)C)cccc1[N+](=O)[O-] ZINC000063483186 184282965 /nfs/dbraw/zinc/28/29/65/184282965.db2.gz LUKYRMAEUBGOKA-UHFFFAOYSA-N 1 0 322.365 1.428 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCNC(=O)CC1 ZINC000065955329 184383602 /nfs/dbraw/zinc/38/36/02/184383602.db2.gz WZKPUVKNSDKKCU-UHFFFAOYSA-N 1 0 320.349 1.054 20 5 DDBDRO O=C(C[NH2+]C[C@@H]1CCCO1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000269208280 207326455 /nfs/dbraw/zinc/32/64/55/207326455.db2.gz FJSVUTJLYAKQSL-NSHDSACASA-N 1 0 305.334 1.253 20 5 DDBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C[C@H]1C[NH2+]CCO1 ZINC000269248554 207385974 /nfs/dbraw/zinc/38/59/74/207385974.db2.gz LURYASKACDZUDH-HNNXBMFYSA-N 1 0 321.377 1.710 20 5 DDBDRO C[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C[C@@H]1CCCCO1 ZINC000272969445 210352214 /nfs/dbraw/zinc/35/22/14/210352214.db2.gz BETPXVWPUCPMJR-KGLIPLIRSA-N 1 0 324.377 1.835 20 5 DDBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000158921725 197311337 /nfs/dbraw/zinc/31/13/37/197311337.db2.gz MAPVZDIYKQLKQJ-WUTVXBCWSA-N 1 0 301.346 1.820 20 5 DDBDRO COC(=O)[C@@](C)(O)C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451547221 533094823 /nfs/dbraw/zinc/09/48/23/533094823.db2.gz KOXZQPCGCBWWTQ-BBRMVZONSA-N 1 0 322.361 1.698 20 5 DDBDRO Cc1nn(CCC(=O)N[C@@H]2CCC[C@H]2C[NH3+])c(C)c1[N+](=O)[O-] ZINC000158068917 197241139 /nfs/dbraw/zinc/24/11/39/197241139.db2.gz VWUXJDQZDKNSSU-NWDGAFQWSA-N 1 0 309.370 1.042 20 5 DDBDRO COC[C@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000452035171 533130223 /nfs/dbraw/zinc/13/02/23/533130223.db2.gz GDRVOODIDLLGDF-ZIAGYGMSSA-N 1 0 324.377 1.835 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H](F)C1 ZINC000451199594 533138053 /nfs/dbraw/zinc/13/80/53/533138053.db2.gz RGIFCSRBVPCBFO-SNVBAGLBSA-N 1 0 311.313 1.976 20 5 DDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)[C@H]1CCC[C@H]1O ZINC000352661575 285205397 /nfs/dbraw/zinc/20/53/97/285205397.db2.gz UHYODYGAFIUJQW-DDTOSNHZSA-N 1 0 307.350 1.767 20 5 DDBDRO C[C@H]1C[NH+](C)C[C@H](C)N1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000155392250 197050778 /nfs/dbraw/zinc/05/07/78/197050778.db2.gz OQRCQNIWMKXKQK-RYUDHWBXSA-N 1 0 307.350 1.525 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1[C@H](C)C[N@@H+](C)C[C@@H]1C ZINC000155115114 197023281 /nfs/dbraw/zinc/02/32/81/197023281.db2.gz OYFPSVZFWGBIMF-PHIMTYICSA-N 1 0 309.370 1.041 20 5 DDBDRO Cc1cc(C(=O)NCCC[C@H]2CCC[NH2+]2)c(N)c([N+](=O)[O-])c1 ZINC000294808562 224235476 /nfs/dbraw/zinc/23/54/76/224235476.db2.gz JFJWKVQHUMDMBL-LLVKDONJSA-N 1 0 306.366 1.747 20 5 DDBDRO Cc1nn(C)c(C(=O)NC[C@@H](C)C[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000128406935 195961528 /nfs/dbraw/zinc/96/15/28/195961528.db2.gz ZNAGQHASXBNJEY-LLVKDONJSA-N 1 0 323.397 1.489 20 5 DDBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000330738495 533592382 /nfs/dbraw/zinc/59/23/82/533592382.db2.gz NPJSRCNVEBUALW-LLVKDONJSA-N 1 0 320.393 1.979 20 5 DDBDRO COc1cc(C(=O)NCCC[C@@H]2CCC[NH2+]2)ccc1[N+](=O)[O-] ZINC000294713829 533533898 /nfs/dbraw/zinc/53/38/98/533533898.db2.gz AITGJTKTBTWMNY-LBPRGKRZSA-N 1 0 307.350 1.865 20 5 DDBDRO COc1cc(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)cc([N+](=O)[O-])c1C ZINC000423560580 533548941 /nfs/dbraw/zinc/54/89/41/533548941.db2.gz VBXXLLHXPVGBAU-JOYOIKCWSA-N 1 0 307.350 1.640 20 5 DDBDRO COc1ccc(CNC(=O)NCC[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000417186905 533614376 /nfs/dbraw/zinc/61/43/76/533614376.db2.gz FVEIWZSNVUQQQY-LLVKDONJSA-N 1 0 322.365 1.402 20 5 DDBDRO Cc1n[nH]c(C(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000299527521 533666550 /nfs/dbraw/zinc/66/65/50/533666550.db2.gz KRGJKORWWCXHFK-MEBBXXQBSA-N 1 0 323.397 1.867 20 5 DDBDRO C[C@@H]1C[C@@H](O)C[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000452072014 533673005 /nfs/dbraw/zinc/67/30/05/533673005.db2.gz TWVVAQHRBWQYIP-JHJVBQTASA-N 1 0 310.350 1.037 20 5 DDBDRO [NH3+]CC1CCN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CC1 ZINC000568983139 304326430 /nfs/dbraw/zinc/32/64/30/304326430.db2.gz ZYQAMJPUFOOOQH-UHFFFAOYSA-N 1 0 321.333 1.177 20 5 DDBDRO C[C@@H](CN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000353511968 285777863 /nfs/dbraw/zinc/77/78/63/285777863.db2.gz BXQMNSFPYRNQRZ-SWLSCSKDSA-N 1 0 317.393 1.957 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360566857 299692042 /nfs/dbraw/zinc/69/20/42/299692042.db2.gz BCSYUVDYHJIETF-MRXNPFEDSA-N 1 0 318.377 1.527 20 5 DDBDRO CC(C)[C@@H]([NH3+])CNC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000569203076 304341277 /nfs/dbraw/zinc/34/12/77/304341277.db2.gz KHOQQOYAPIIEHB-ZDUSSCGKSA-N 1 0 310.354 1.256 20 5 DDBDRO C[NH2+]Cc1ccc(NC(=O)c2c([N+](=O)[O-])c(C)nn2C)cc1 ZINC000569364947 304351637 /nfs/dbraw/zinc/35/16/37/304351637.db2.gz FJSQWBAZUQNYNT-UHFFFAOYSA-N 1 0 303.322 1.608 20 5 DDBDRO COc1cc(C(=O)N[C@@H](C)C[NH3+])c([N+](=O)[O-])cc1OC(F)F ZINC000276933244 286201458 /nfs/dbraw/zinc/20/14/58/286201458.db2.gz ARZWRXOPCNUPMS-LURJTMIESA-N 1 0 319.264 1.282 20 5 DDBDRO CCCN(CC[NH+](CC)CC)C(=O)c1cc([N+](=O)[O-])nn1C ZINC000360837766 299758858 /nfs/dbraw/zinc/75/88/58/299758858.db2.gz RHPFEXFNHVBHKA-UHFFFAOYSA-N 1 0 311.386 1.522 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000430590735 292293258 /nfs/dbraw/zinc/29/32/58/292293258.db2.gz LWJLZORFQVYOLF-WFASDCNBSA-N 1 0 320.393 1.901 20 5 DDBDRO CC[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1nccs1 ZINC000080277625 407071219 /nfs/dbraw/zinc/07/12/19/407071219.db2.gz WXVDSRJHUMFYJW-GHMZBOCLSA-N 1 0 311.367 1.350 20 5 DDBDRO Cc1ccc([C@H](C)[NH2+]CCN2C(=O)CCC2=O)cc1[N+](=O)[O-] ZINC000089683480 407144294 /nfs/dbraw/zinc/14/42/94/407144294.db2.gz YUXHDPJFIDJORV-NSHDSACASA-N 1 0 305.334 1.703 20 5 DDBDRO CC[NH2+]CCNS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000054266191 407181156 /nfs/dbraw/zinc/18/11/56/407181156.db2.gz YKIBGQACEYJWBS-UHFFFAOYSA-N 1 0 321.786 1.444 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C)[N@H+](C)C2CC2)c1 ZINC000057701195 407217272 /nfs/dbraw/zinc/21/72/72/407217272.db2.gz QLMTWQWNYPKIAH-SNVBAGLBSA-N 1 0 307.350 1.816 20 5 DDBDRO CC(=O)NC[C@H]1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000067412549 407273415 /nfs/dbraw/zinc/27/34/15/407273415.db2.gz NSHJEQRPDLPIMG-CQSZACIVSA-N 1 0 321.377 1.822 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C[C@@H]1CCC[C@H]1O ZINC000570966251 304429857 /nfs/dbraw/zinc/42/98/57/304429857.db2.gz QWHUIBQFKNGDPC-SGMGOOAPSA-N 1 0 310.350 1.085 20 5 DDBDRO CCC[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC1 ZINC000124945262 407374641 /nfs/dbraw/zinc/37/46/41/407374641.db2.gz DZRIVYJTNPCULY-UHFFFAOYSA-N 1 0 308.338 1.300 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CCn3ccnc3)CC2)cc1 ZINC000125057531 407377691 /nfs/dbraw/zinc/37/76/91/407377691.db2.gz OQZSGVDJXIEYHH-UHFFFAOYSA-N 1 0 301.350 1.614 20 5 DDBDRO COc1cc(C(=O)N2C[C@H](C[NH3+])C[C@H]2C)cc([N+](=O)[O-])c1OC ZINC000261620144 407553529 /nfs/dbraw/zinc/55/35/29/407553529.db2.gz BTNQEQBZLJABIG-ZJUUUORDSA-N 1 0 323.349 1.421 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1CN1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000261604663 407548637 /nfs/dbraw/zinc/54/86/37/407548637.db2.gz AXIVKWMYOARBDN-QWHCGFSZSA-N 1 0 301.350 1.255 20 5 DDBDRO CC1(C)C[NH2+]CC[C@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000261749242 407601648 /nfs/dbraw/zinc/60/16/48/407601648.db2.gz QBJRKJVHDQGFTD-GFCCVEGCSA-N 1 0 313.379 1.261 20 5 DDBDRO COCCC[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000171126782 407604003 /nfs/dbraw/zinc/60/40/03/407604003.db2.gz JJKXKOVKFZWGLW-UHFFFAOYSA-N 1 0 321.377 1.826 20 5 DDBDRO C[C@H]([NH3+])C1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000178801468 407607017 /nfs/dbraw/zinc/60/70/17/407607017.db2.gz GSBBXIARQSKDBX-NSHDSACASA-N 1 0 307.350 1.559 20 5 DDBDRO COc1cc(OCC(=O)N2C[C@H](C[NH3+])C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000261793798 407616056 /nfs/dbraw/zinc/61/60/56/407616056.db2.gz LESZDDCTYRFHMU-QWRGUYRKSA-N 1 0 323.349 1.178 20 5 DDBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000266758725 407625868 /nfs/dbraw/zinc/62/58/68/407625868.db2.gz GUPCUFICYSYZNT-AWEZNQCLSA-N 1 0 320.393 1.921 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000115436590 407681385 /nfs/dbraw/zinc/68/13/85/407681385.db2.gz DEFCFJGWPWKJDD-ZDUSSCGKSA-N 1 0 323.397 1.290 20 5 DDBDRO CC[C@@H](CO)[NH+]1CCN(Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000267023324 407718757 /nfs/dbraw/zinc/71/87/57/407718757.db2.gz KUAYCEACGVSBHA-ZDUSSCGKSA-N 1 0 311.357 1.622 20 5 DDBDRO C[NH+](C)C[C@](C)(O)CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000153023898 407736772 /nfs/dbraw/zinc/73/67/72/407736772.db2.gz UDIJOUIMVYSALH-RZIFZGNASA-N 1 0 307.350 1.037 20 5 DDBDRO CCc1n[nH]c(C(=O)NC[C@H](C)C[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000171804007 407769328 /nfs/dbraw/zinc/76/93/28/407769328.db2.gz QMJMOQQHHCHOQX-JTQLQIEISA-N 1 0 309.370 1.342 20 5 DDBDRO C[NH+](C)[C@H]1CCN(c2ncc([N+](=O)[O-])cc2Br)C1 ZINC000267245631 407806104 /nfs/dbraw/zinc/80/61/04/407806104.db2.gz NKHKMLFPLGCUHN-QMMMGPOBSA-N 1 0 315.171 1.893 20 5 DDBDRO C[NH2+]C[C@H](C)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000133230066 407824774 /nfs/dbraw/zinc/82/47/74/407824774.db2.gz MQWVCUWTFLWZFZ-VIFPVBQESA-N 1 0 301.368 1.037 20 5 DDBDRO C[C@H]1CCCN(C(=O)COc2cccc([N+](=O)[O-])c2)[C@@H]1C[NH3+] ZINC000237697718 407836573 /nfs/dbraw/zinc/83/65/73/407836573.db2.gz DUEFTCHTZGMPKD-SMDDNHRTSA-N 1 0 307.350 1.559 20 5 DDBDRO Cc1c(NC(=O)C(=O)NC[C@H]2CCC[N@H+]2C)cccc1[N+](=O)[O-] ZINC000118106460 407890545 /nfs/dbraw/zinc/89/05/45/407890545.db2.gz TUJBYEUFCHRZBQ-LLVKDONJSA-N 1 0 320.349 1.052 20 5 DDBDRO CN(CCC[NH+]1CCN(C)CC1)Cc1ccc([N+](=O)[O-])cc1F ZINC000272432247 407918266 /nfs/dbraw/zinc/91/82/66/407918266.db2.gz HUPWSECRIUULIS-UHFFFAOYSA-N 1 0 324.400 1.803 20 5 DDBDRO CN(C(=O)COc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@H+](C)C1 ZINC000153896321 407927210 /nfs/dbraw/zinc/92/72/10/407927210.db2.gz AJQDQOXVUQVKEB-ZDUSSCGKSA-N 1 0 307.350 1.526 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000175068268 408042172 /nfs/dbraw/zinc/04/21/72/408042172.db2.gz JYSINGWBFNHPAC-NSHDSACASA-N 1 0 307.350 1.691 20 5 DDBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)COc3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000272577430 407991266 /nfs/dbraw/zinc/99/12/66/407991266.db2.gz GJQORMICQLVFOZ-WFASDCNBSA-N 1 0 319.361 1.526 20 5 DDBDRO O=[N+]([O-])c1cnn(CCN2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000174870704 407998848 /nfs/dbraw/zinc/99/88/48/407998848.db2.gz OAKIOSDWQPFKOT-AWEZNQCLSA-N 1 0 307.398 1.742 20 5 DDBDRO Cc1nn(CCC(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000272604625 408003670 /nfs/dbraw/zinc/00/36/70/408003670.db2.gz RJKNJPLYXNFJSL-NXEZZACHSA-N 1 0 309.370 1.007 20 5 DDBDRO CSCC[N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182024215 408066136 /nfs/dbraw/zinc/06/61/36/408066136.db2.gz KHFYWDBEZQWPAQ-LLVKDONJSA-N 1 0 300.380 1.629 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(C)CC[NH+](C)C ZINC000175702779 408184664 /nfs/dbraw/zinc/18/46/64/408184664.db2.gz HYMAOAONKCHDPG-UHFFFAOYSA-N 1 0 301.368 1.085 20 5 DDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@H]([NH3+])C[C@@H]1C ZINC000156122117 408241545 /nfs/dbraw/zinc/24/15/45/408241545.db2.gz MULUILSPZGJALJ-ONGXEEELSA-N 1 0 313.379 1.404 20 5 DDBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000175968585 408253877 /nfs/dbraw/zinc/25/38/77/408253877.db2.gz NWYXFLXKDUKVIS-LLVKDONJSA-N 1 0 306.366 1.781 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)NC[C@@H](C)C[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000269316412 408266588 /nfs/dbraw/zinc/26/65/88/408266588.db2.gz BLFJWWLWAJGPQW-LLVKDONJSA-N 1 0 323.397 1.903 20 5 DDBDRO Cc1ccc(C(=O)NC[C@H](C)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000263796485 408262080 /nfs/dbraw/zinc/26/20/80/408262080.db2.gz RUNYDTLUXVNNIJ-ZDUSSCGKSA-N 1 0 320.393 1.269 20 5 DDBDRO CCc1n[nH]c(C(=O)NCC2([NH+](C)C)CCCC2)c1[N+](=O)[O-] ZINC000263671039 408198935 /nfs/dbraw/zinc/19/89/35/408198935.db2.gz MFBXGMHWCRBVIA-UHFFFAOYSA-N 1 0 309.370 1.485 20 5 DDBDRO CCOC[C@H]1CC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000246310950 408216869 /nfs/dbraw/zinc/21/68/69/408216869.db2.gz ZIRMKDXYAXURSF-DZGCQCFKSA-N 1 0 324.377 1.693 20 5 DDBDRO C[NH2+]CCCN(C)S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000127098958 161917184 /nfs/dbraw/zinc/91/71/84/161917184.db2.gz SXHBFDVPZXJVKH-UHFFFAOYSA-N 1 0 315.395 1.442 20 5 DDBDRO C[C@@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@H]1CCCO1 ZINC000183113629 408329097 /nfs/dbraw/zinc/32/90/97/408329097.db2.gz MHZLWDOYAXSHNR-IAQYHMDHSA-N 1 0 319.361 1.641 20 5 DDBDRO COCC[N@@H+]1CC[C@H](Nc2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000269399816 408296254 /nfs/dbraw/zinc/29/62/54/408296254.db2.gz URUFPLWWCPLIHL-JTQLQIEISA-N 1 0 300.746 1.776 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000131260110 162009547 /nfs/dbraw/zinc/00/95/47/162009547.db2.gz QUWXKTNIJFDGNH-LBPRGKRZSA-N 1 0 317.349 1.359 20 5 DDBDRO CCc1n[nH]c(C(=O)NC2CC[NH+](C3CC3)CC2)c1[N+](=O)[O-] ZINC000263983931 408336114 /nfs/dbraw/zinc/33/61/14/408336114.db2.gz RLOOBVWQFUFIER-UHFFFAOYSA-N 1 0 307.354 1.237 20 5 DDBDRO C[C@H]1CCC[N@@H+]1C1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000134733332 162085288 /nfs/dbraw/zinc/08/52/88/162085288.db2.gz OGUKWXBWHYYDBV-ZDUSSCGKSA-N 1 0 307.398 1.740 20 5 DDBDRO CCCC[C@@H](C[NH3+])Nc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000138080982 162128861 /nfs/dbraw/zinc/12/88/61/162128861.db2.gz KVSVRSMYZCVPBB-JTQLQIEISA-N 1 0 315.395 1.928 20 5 DDBDRO CCOc1ccc(C(=O)N2CC[C@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000170860052 162195095 /nfs/dbraw/zinc/19/50/95/162195095.db2.gz RCGHAESFCYLIEL-LBPRGKRZSA-N 1 0 307.350 1.770 20 5 DDBDRO C[NH+]1CCN(CCCNc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000269650615 408374493 /nfs/dbraw/zinc/37/44/93/408374493.db2.gz QNCQVNOPFGGTFZ-UHFFFAOYSA-N 1 0 314.336 1.922 20 5 DDBDRO CCOC(=O)[C@](C)(O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000274574854 408456111 /nfs/dbraw/zinc/45/61/11/408456111.db2.gz GIXBHDJVRZCXGW-MRXNPFEDSA-N 1 0 322.361 1.873 20 5 DDBDRO Cc1cc(C(=O)N2CC[C@@H]3CC[C@H](C2)[N@@H+]3C)c(N)c([N+](=O)[O-])c1 ZINC000177007233 408495224 /nfs/dbraw/zinc/49/52/24/408495224.db2.gz KDVJCBOFNGHVND-NWDGAFQWSA-N 1 0 318.377 1.794 20 5 DDBDRO C[NH+](C)C[C@](C)(O)CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000269923806 408471230 /nfs/dbraw/zinc/47/12/30/408471230.db2.gz QLTCXODEFARGKI-OAHLLOKOSA-N 1 0 320.349 1.119 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000177213515 408553035 /nfs/dbraw/zinc/55/30/35/408553035.db2.gz CNXGJJXMYGKGBZ-CMPLNLGQSA-N 1 0 321.381 1.231 20 5 DDBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)[C@@H]1OC ZINC000274944700 408571019 /nfs/dbraw/zinc/57/10/19/408571019.db2.gz RCYSNJQMHZMXQC-DFBGVHRSSA-N 1 0 310.350 1.885 20 5 DDBDRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000184290857 408585519 /nfs/dbraw/zinc/58/55/19/408585519.db2.gz YYSXZEVXPWQYQL-CYBMUJFWSA-N 1 0 320.393 1.351 20 5 DDBDRO C[NH+](C)[C@@H]1CCCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000264624235 408542866 /nfs/dbraw/zinc/54/28/66/408542866.db2.gz OSGIAMUTRYQBBQ-LLVKDONJSA-N 1 0 313.379 1.310 20 5 DDBDRO Cc1[nH]nc(C(=O)Nc2ccccc2CC[NH+](C)C)c1[N+](=O)[O-] ZINC000275892711 408712883 /nfs/dbraw/zinc/71/28/83/408712883.db2.gz PWSPHWNSWUTDRO-UHFFFAOYSA-N 1 0 317.349 1.983 20 5 DDBDRO C[C@@H]1CC(O)C[C@@H](C)[NH+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000249078349 408684077 /nfs/dbraw/zinc/68/40/77/408684077.db2.gz SEQAWAMGMUYOIR-LALPHHSUSA-N 1 0 324.377 1.568 20 5 DDBDRO CO[C@@H]1C[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC[C@H]1C ZINC000251933782 408791380 /nfs/dbraw/zinc/79/13/80/408791380.db2.gz UBUONCFZSBKOJG-XNRPHZJLSA-N 1 0 324.377 1.691 20 5 DDBDRO [NH3+][C@H]1CC[C@H]2CN(C(=O)COc3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC000185067874 408750540 /nfs/dbraw/zinc/75/05/40/408750540.db2.gz SKBVMJARGUXAIV-GDLCADMTSA-N 1 0 305.334 1.169 20 5 DDBDRO COC(=O)c1cnc(NCC[NH+]2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000276549737 408881061 /nfs/dbraw/zinc/88/10/61/408881061.db2.gz KEFVTKXJSRPNKU-UHFFFAOYSA-N 1 0 322.365 1.920 20 5 DDBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000168307202 408818506 /nfs/dbraw/zinc/81/85/06/408818506.db2.gz NDYSOTJPMMEURY-NSHDSACASA-N 1 0 307.350 1.818 20 5 DDBDRO NC(=O)c1ccnc(N2CC[C@H](C[NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000290806444 408835779 /nfs/dbraw/zinc/83/57/79/408835779.db2.gz QOGTUPWFRLZFBS-LLVKDONJSA-N 1 0 319.365 1.011 20 5 DDBDRO CCCc1n[nH]c(C(=O)N2CCC[C@@H](CC[NH3+])C2)c1[N+](=O)[O-] ZINC000281618133 408897438 /nfs/dbraw/zinc/89/74/38/408897438.db2.gz BWVQROOECJHRRG-JTQLQIEISA-N 1 0 309.370 1.471 20 5 DDBDRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1Cc1csc([N+](=O)[O-])c1 ZINC000189460053 163101883 /nfs/dbraw/zinc/10/18/83/163101883.db2.gz ZXSDTJMDVLHYGU-NSHDSACASA-N 1 0 313.423 1.933 20 5 DDBDRO CN(CCC[NH+]1CCCC1)C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000281755716 408925083 /nfs/dbraw/zinc/92/50/83/408925083.db2.gz PSHXGNDOFBBOAE-UHFFFAOYSA-N 1 0 321.377 1.918 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NCCC[NH+]1CCCC1 ZINC000277423048 408937622 /nfs/dbraw/zinc/93/76/22/408937622.db2.gz SYIYWZRWHCVHQH-UHFFFAOYSA-N 1 0 307.350 1.819 20 5 DDBDRO C[C@@H]1COCC[C@H]1[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000277439628 408941376 /nfs/dbraw/zinc/94/13/76/408941376.db2.gz LFDRRGDPNRBGAF-BXUZGUMPSA-N 1 0 307.350 1.572 20 5 DDBDRO C[C@H]1[NH2+]CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[C@H]1C ZINC000277500202 408952705 /nfs/dbraw/zinc/95/27/05/408952705.db2.gz PAAIEGIWZIAWKD-BDAKNGLRSA-N 1 0 308.294 1.325 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000277643427 408983822 /nfs/dbraw/zinc/98/38/22/408983822.db2.gz UFVRNGWUAUUQHF-LBPRGKRZSA-N 1 0 307.350 1.770 20 5 DDBDRO Cn1nncc1C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000287385824 409029510 /nfs/dbraw/zinc/02/95/10/409029510.db2.gz PTGOYWCYYHCXKX-CQSZACIVSA-N 1 0 301.350 1.834 20 5 DDBDRO C[C@@H]1CN(C(=O)COc2ccccc2[N+](=O)[O-])C[C@H](C)[N@H+]1C ZINC000293848462 409192675 /nfs/dbraw/zinc/19/26/75/409192675.db2.gz AHHJHJISCMAZBT-TXEJJXNPSA-N 1 0 307.350 1.525 20 5 DDBDRO CN(CC[NH+](C)C)C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000279418748 409210526 /nfs/dbraw/zinc/21/05/26/409210526.db2.gz YAKFRNIMRXFKED-UHFFFAOYSA-N 1 0 317.748 1.950 20 5 DDBDRO CNc1c(C(=O)NCCC[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000317426583 164027722 /nfs/dbraw/zinc/02/77/22/164027722.db2.gz ZKGOKHSKIABVTG-UHFFFAOYSA-N 1 0 306.366 1.852 20 5 DDBDRO C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCN2CCO[C@H]1C2 ZINC000295389147 409462239 /nfs/dbraw/zinc/46/22/39/409462239.db2.gz KZODMTYQMSYXRX-PMPSAXMXSA-N 1 0 321.377 1.033 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)C1CC(O)C1 ZINC000353484995 164123525 /nfs/dbraw/zinc/12/35/25/164123525.db2.gz LQDHHAMEMBNCQI-UHFFFAOYSA-N 1 0 307.350 1.687 20 5 DDBDRO O=[N+]([O-])c1ccc2oc(CN3CC[C@@]4(CC[NH2+]C4)C3)nc2c1 ZINC000360571010 164150008 /nfs/dbraw/zinc/15/00/08/164150008.db2.gz SULCWLFDMOLEOG-OAHLLOKOSA-N 1 0 302.334 1.921 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000408029607 164203317 /nfs/dbraw/zinc/20/33/17/164203317.db2.gz UWLQOFPMZNTXFY-KGLIPLIRSA-N 1 0 304.350 1.655 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000296420159 409540576 /nfs/dbraw/zinc/54/05/76/409540576.db2.gz LIWLORGAOSOLCE-CYBMUJFWSA-N 1 0 321.377 1.480 20 5 DDBDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])nn1C ZINC000356715586 409545924 /nfs/dbraw/zinc/54/59/24/409545924.db2.gz SEZIUXJWURPXQU-GFCCVEGCSA-N 1 0 323.397 1.569 20 5 DDBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CN(C)CCN1C ZINC000344918378 409553254 /nfs/dbraw/zinc/55/32/54/409553254.db2.gz XOFRILVQWCBZRH-CRPZLVSXSA-N 1 0 318.421 1.834 20 5 DDBDRO Cn1c(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000345078491 409620439 /nfs/dbraw/zinc/62/04/39/409620439.db2.gz UTRGWQCULUWIKD-CQSZACIVSA-N 1 0 316.361 1.966 20 5 DDBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCC[C@H](O)C1 ZINC000304228585 409579360 /nfs/dbraw/zinc/57/93/60/409579360.db2.gz MLYBWZAXZBQJOR-LBPRGKRZSA-N 1 0 321.333 1.350 20 5 DDBDRO C[C@@H]1CC[N@H+](C)CCN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000354008302 409595645 /nfs/dbraw/zinc/59/56/45/409595645.db2.gz SCCRHAYUKZANOH-CYBMUJFWSA-N 1 0 321.377 1.916 20 5 DDBDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000354147468 409695251 /nfs/dbraw/zinc/69/52/51/409695251.db2.gz DECPUABOHKDPQQ-OAHLLOKOSA-N 1 0 321.377 1.364 20 5 DDBDRO Cc1nn(CCC(=O)N2CC[N@@H+](C)[C@@H](C)[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000356835055 409644679 /nfs/dbraw/zinc/64/46/79/409644679.db2.gz BFTQUMIKABYBSH-RYUDHWBXSA-N 1 0 323.397 1.349 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H]2CCc3c2cccc3O)c1 ZINC000296962582 409728857 /nfs/dbraw/zinc/72/88/57/409728857.db2.gz YIRUTSBKPVIQOW-SMDDNHRTSA-N 1 0 318.333 1.135 20 5 DDBDRO C[C@H]([NH2+][C@@H]1CCCN(C)[C@@H]1C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000342709359 409835538 /nfs/dbraw/zinc/83/55/38/409835538.db2.gz JUMUHURTZHADPT-YWPYICTPSA-N 1 0 320.393 1.994 20 5 DDBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000354419423 409840257 /nfs/dbraw/zinc/84/02/57/409840257.db2.gz XEIXMPSMGDFOJP-CYBMUJFWSA-N 1 0 323.397 1.562 20 5 DDBDRO C[C@@H]1[C@H](C)N(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000357005050 409786429 /nfs/dbraw/zinc/78/64/29/409786429.db2.gz QQQNWFUNWPLTET-IPYPFGDCSA-N 1 0 323.393 1.359 20 5 DDBDRO [NH3+]C[C@@H]1CN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000313372743 409806062 /nfs/dbraw/zinc/80/60/62/409806062.db2.gz INOUMJHRWYDPLS-BTKRWWFXSA-N 1 0 305.334 1.184 20 5 DDBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Cn2ccc([N+](=O)[O-])n2)C[C@@H]1C ZINC000354379690 409811013 /nfs/dbraw/zinc/81/10/13/409811013.db2.gz CHBINFKHNOOXFL-RYUDHWBXSA-N 1 0 309.370 1.123 20 5 DDBDRO Cc1nn(CCC(=O)N2CCC[C@@H]([NH3+])[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000297303386 409903021 /nfs/dbraw/zinc/90/30/21/409903021.db2.gz FDHHHUIRICWZCE-ZYHUDNBSSA-N 1 0 309.370 1.136 20 5 DDBDRO CC(C)[C@H](CNc1nccc(C(N)=O)c1[N+](=O)[O-])[NH+]1CCCC1 ZINC000357297383 409963337 /nfs/dbraw/zinc/96/33/37/409963337.db2.gz GXWGOVNVKTWSOV-LBPRGKRZSA-N 1 0 321.381 1.621 20 5 DDBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)[C@H]1CCN(C2CC2)C1=O ZINC000338344860 409927543 /nfs/dbraw/zinc/92/75/43/409927543.db2.gz CSCSAPHQNFUKHQ-HNNXBMFYSA-N 1 0 303.362 1.832 20 5 DDBDRO C[C@@H]1[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCCN1C ZINC000354548073 409930025 /nfs/dbraw/zinc/93/00/25/409930025.db2.gz RRUWPZCROHOOCK-MFKMUULPSA-N 1 0 313.379 1.356 20 5 DDBDRO C[C@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)[C@@H]1CCOC1 ZINC000332169454 409944628 /nfs/dbraw/zinc/94/46/28/409944628.db2.gz VRDCMETYJMCMBY-ZOWXZIJZSA-N 1 0 319.361 1.715 20 5 DDBDRO C[NH+]1CCC(NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1 ZINC000332240228 410008007 /nfs/dbraw/zinc/00/80/07/410008007.db2.gz IQCPRYFWDBAYSW-UHFFFAOYSA-N 1 0 302.334 1.900 20 5 DDBDRO C[C@@H](C[NH+]1CCCCC1)Nc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000298475065 410246248 /nfs/dbraw/zinc/24/62/48/410246248.db2.gz RMMZCFWHDLVONW-JTQLQIEISA-N 1 0 307.354 1.375 20 5 DDBDRO C[N@H+](CCNC(=O)COc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000355202984 410376799 /nfs/dbraw/zinc/37/67/99/410376799.db2.gz CZVMIGPIUANMKN-UHFFFAOYSA-N 1 0 321.377 1.964 20 5 DDBDRO C[C@H]1[C@@H](NC(=O)CCNc2ccccc2[N+](=O)[O-])CCC[N@@H+]1C ZINC000343460460 410469675 /nfs/dbraw/zinc/46/96/75/410469675.db2.gz RVBOVKYMYFVITK-STQMWFEESA-N 1 0 320.393 1.996 20 5 DDBDRO CCOc1cc(C[NH+]2[C@H](CO)CC[C@H]2CO)ccc1[N+](=O)[O-] ZINC000347335152 410480440 /nfs/dbraw/zinc/48/04/40/410480440.db2.gz NKQHOKHAALBMNA-STQMWFEESA-N 1 0 310.350 1.311 20 5 DDBDRO CCN1CCC([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000579943453 422858411 /nfs/dbraw/zinc/85/84/11/422858411.db2.gz LHHUVCJBZPHKTK-AWEZNQCLSA-N 1 0 323.393 1.408 20 5 DDBDRO C[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000352185437 410530197 /nfs/dbraw/zinc/53/01/97/410530197.db2.gz CJMXVBAGUNIJFI-STQMWFEESA-N 1 0 310.350 1.445 20 5 DDBDRO C[C@H]1[C@@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2)CCC[N@@H+]1C ZINC000343612224 410569672 /nfs/dbraw/zinc/56/96/72/410569672.db2.gz VNXXGSLPKKRKBI-FZMZJTMJSA-N 1 0 306.366 1.877 20 5 DDBDRO CCC[N@H+](C)CC(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000355592618 410596041 /nfs/dbraw/zinc/59/60/41/410596041.db2.gz YUMCSRBFQVGRRP-GFCCVEGCSA-N 1 0 321.381 1.344 20 5 DDBDRO O=C(NCc1c[nH]cn1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000359438983 410659916 /nfs/dbraw/zinc/65/99/16/410659916.db2.gz MBBONISYDZBYEX-UHFFFAOYSA-N 1 0 312.232 1.849 20 5 DDBDRO O=C1COc2cc([N+](=O)[O-])c(NCC[NH+]3CCCCC3)cc2N1 ZINC000301121040 410662257 /nfs/dbraw/zinc/66/22/57/410662257.db2.gz XZGPCTUWIHBTHJ-UHFFFAOYSA-N 1 0 320.349 1.824 20 5 DDBDRO CC[NH+]1CCN(CCCNc2c([N+](=O)[O-])c(C)nn2C)CC1 ZINC000301302063 410697029 /nfs/dbraw/zinc/69/70/29/410697029.db2.gz VQQSPUJZJQVGBC-UHFFFAOYSA-N 1 0 310.402 1.076 20 5 DDBDRO C[C@H]1C[C@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000352952638 410699235 /nfs/dbraw/zinc/69/92/35/410699235.db2.gz VXJVMUKNUPRGIM-WDEREUQCSA-N 1 0 313.379 1.356 20 5 DDBDRO CC[NH+]1CCN([C@H](C)CNc2ncc([N+](=O)[O-])cc2C)CC1 ZINC000301520625 410735332 /nfs/dbraw/zinc/73/53/32/410735332.db2.gz LCYIEINDNXJBOA-CYBMUJFWSA-N 1 0 307.398 1.736 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC[C@H](C[NH+]3CCOCC3)C2)nc1 ZINC000301222162 410679168 /nfs/dbraw/zinc/67/91/68/410679168.db2.gz CEIRGMNLNDSMBU-CYBMUJFWSA-N 1 0 306.366 1.538 20 5 DDBDRO COC(=O)COc1ccc(C[N@@H+]2CC[C@](C)(O)C2)cc1[N+](=O)[O-] ZINC000355762812 410682684 /nfs/dbraw/zinc/68/26/84/410682684.db2.gz TTZKHGGXFZLWHU-HNNXBMFYSA-N 1 0 324.333 1.103 20 5 DDBDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000330534944 410756169 /nfs/dbraw/zinc/75/61/69/410756169.db2.gz RIGMPZRAQGQFKJ-GFCCVEGCSA-N 1 0 324.381 1.020 20 5 DDBDRO CC(C)(C)[C@@H](O)C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000343884842 410775966 /nfs/dbraw/zinc/77/59/66/410775966.db2.gz VRKWPMQYDWUDTF-YPMHNXCESA-N 1 0 308.382 1.883 20 5 DDBDRO O=[N+]([O-])c1cnc2ccc(NCCCC[NH+]3CCOCC3)nn21 ZINC000301834280 410810006 /nfs/dbraw/zinc/81/00/06/410810006.db2.gz KHYMAYSONLEZQE-UHFFFAOYSA-N 1 0 320.353 1.162 20 5 DDBDRO COc1ccc(NC(=O)CN2CC[N@H+](C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000330661460 410860063 /nfs/dbraw/zinc/86/00/63/410860063.db2.gz CJULUEGOVDQBKA-LLVKDONJSA-N 1 0 322.365 1.178 20 5 DDBDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cc([N+](=O)[O-])nn1C ZINC000356150093 410864401 /nfs/dbraw/zinc/86/44/01/410864401.db2.gz HSPBMPYURKVEER-NSHDSACASA-N 1 0 309.370 1.323 20 5 DDBDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000341052804 410881573 /nfs/dbraw/zinc/88/15/73/410881573.db2.gz FXHDSUSTZANVNR-TXEJJXNPSA-N 1 0 309.370 1.170 20 5 DDBDRO CC[NH+](CC)CCO[C@H]1CCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000353474716 411013352 /nfs/dbraw/zinc/01/33/52/411013352.db2.gz JCUZZTDUBHYBTH-AWEZNQCLSA-N 1 0 308.382 1.927 20 5 DDBDRO COCc1cc([N+](=O)[O-])ccc1NCCN1CCOC[C@H]1C ZINC000353443294 410988487 /nfs/dbraw/zinc/98/84/87/410988487.db2.gz WOUNCYSENWKXNQ-GFCCVEGCSA-N 1 0 309.366 1.874 20 5 DDBDRO Cc1cc(OCC(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000331201532 411015689 /nfs/dbraw/zinc/01/56/89/411015689.db2.gz QJKPRYYDDORZGF-STQMWFEESA-N 1 0 321.377 1.881 20 5 DDBDRO CCCc1n[nH]c(C(=O)N(C)C[C@H]2CCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000331241398 411035587 /nfs/dbraw/zinc/03/55/87/411035587.db2.gz NGEDMVUONDYAIN-SNVBAGLBSA-N 1 0 309.370 1.437 20 5 DDBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000356590854 411099868 /nfs/dbraw/zinc/09/98/68/411099868.db2.gz CDOYAWUZRFZCAX-SNVBAGLBSA-N 1 0 309.370 1.422 20 5 DDBDRO COC(=O)COc1ccc(C[NH2+]CC[C@@H](C)O)cc1[N+](=O)[O-] ZINC000353755641 411123485 /nfs/dbraw/zinc/12/34/85/411123485.db2.gz COHJPYFMTROOLK-SNVBAGLBSA-N 1 0 312.322 1.007 20 5 DDBDRO O=[N+]([O-])c1ccc(-c2nc(CN3CCOC[C@H](O)C3)co2)cc1 ZINC000295587797 225019764 /nfs/dbraw/zinc/01/97/64/225019764.db2.gz MHNIUIYVARAJIG-CQSZACIVSA-N 1 0 319.317 1.443 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000417190312 225238004 /nfs/dbraw/zinc/23/80/04/225238004.db2.gz YAQSSQBZRNSYTM-GXFFZTMASA-N 1 0 322.365 1.401 20 5 DDBDRO [NH3+][C@@H]1CCC[C@H](NC(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000417227134 225254102 /nfs/dbraw/zinc/25/41/02/225254102.db2.gz LIUAORLTORCQDJ-OLZOCXBDSA-N 1 0 306.366 1.706 20 5 DDBDRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000417232472 225257626 /nfs/dbraw/zinc/25/76/26/225257626.db2.gz MJMJGEWGBBINAM-GXTWGEPZSA-N 1 0 320.393 1.906 20 5 DDBDRO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000366191604 418440864 /nfs/dbraw/zinc/44/08/64/418440864.db2.gz GKHUVGZOOPQDQS-OAHLLOKOSA-N 1 0 319.361 1.578 20 5 DDBDRO Cc1c(CNC(=O)[C@H](C)C[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000360539997 418459353 /nfs/dbraw/zinc/45/93/53/418459353.db2.gz KDIQXMWLPXXAEC-GFCCVEGCSA-N 1 0 321.377 1.488 20 5 DDBDRO Cc1c(CNC(=O)[C@H]2CCn3ccnc3C2)cccc1[N+](=O)[O-] ZINC000360541973 418459819 /nfs/dbraw/zinc/45/98/19/418459819.db2.gz XLQDWCKOOZMMCV-LBPRGKRZSA-N 1 0 314.345 1.979 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000366556048 418490007 /nfs/dbraw/zinc/49/00/07/418490007.db2.gz OCSRTSTXCPVNRW-MFKMUULPSA-N 1 0 305.334 1.427 20 5 DDBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[NH+]1CCC1 ZINC000360939439 418551445 /nfs/dbraw/zinc/55/14/45/418551445.db2.gz XKJIFGOATLIOJK-AWEZNQCLSA-N 1 0 305.378 1.985 20 5 DDBDRO Nc1c(C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000361093619 418582419 /nfs/dbraw/zinc/58/24/19/418582419.db2.gz BJGHFZHXSUIZQY-NWDGAFQWSA-N 1 0 304.350 1.295 20 5 DDBDRO O=C(COc1ccccc1[N+](=O)[O-])N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000361099022 418582724 /nfs/dbraw/zinc/58/27/24/418582724.db2.gz VFPCIQOPCBWSTH-QWHCGFSZSA-N 1 0 319.361 1.478 20 5 DDBDRO CCN1CCC([N@H+](CCn2cc([N+](=O)[O-])cn2)C2CC2)CC1 ZINC000375006150 418586835 /nfs/dbraw/zinc/58/68/35/418586835.db2.gz VSAAPTOAZAELGJ-UHFFFAOYSA-N 1 0 307.398 1.740 20 5 DDBDRO CNC(=O)c1ccc(N2CC[C@@H]3CC[N@H+](C)[C@H]3C2)c([N+](=O)[O-])c1 ZINC000375035557 418592226 /nfs/dbraw/zinc/59/22/26/418592226.db2.gz CTNFLEBQLKZOOS-NHYWBVRUSA-N 1 0 318.377 1.485 20 5 DDBDRO NC(=O)[C@@H]1CN(Cc2ccccc2[N+](=O)[O-])C[C@H]1C(F)(F)F ZINC000375385102 418631886 /nfs/dbraw/zinc/63/18/86/418631886.db2.gz VSAOGSREKMSSTF-NXEZZACHSA-N 1 0 317.267 1.690 20 5 DDBDRO C[C@]1(C(N)=O)CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000361567637 418679863 /nfs/dbraw/zinc/67/98/63/418679863.db2.gz VUEZVENBVWCZCQ-HNNXBMFYSA-N 1 0 320.349 1.121 20 5 DDBDRO CCOc1cc(C[N@@H+]2CC[C@H]3C(=O)NC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000368063173 418682918 /nfs/dbraw/zinc/68/29/18/418682918.db2.gz MLSLBHXJOMLPQM-CHWSQXEVSA-N 1 0 319.361 1.561 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H]2C(=O)NC[C@H]2C1 ZINC000368072063 418684304 /nfs/dbraw/zinc/68/43/04/418684304.db2.gz ODNKGJJCUICUSI-WCQYABFASA-N 1 0 305.334 1.171 20 5 DDBDRO Nc1c(C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cccc1[N+](=O)[O-] ZINC000371020714 418755753 /nfs/dbraw/zinc/75/57/53/418755753.db2.gz YXJKUERKDKBUIM-AAEUAGOBSA-N 1 0 318.377 1.781 20 5 DDBDRO C[C@@H](CO)[N@@H+]1CCCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000364923913 418822168 /nfs/dbraw/zinc/82/21/68/418822168.db2.gz RYSYZPYTUULFJE-SZTZYQKNSA-N 1 0 319.405 1.997 20 5 DDBDRO Cc1ccc([C@H](C)NC(=O)COC2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000423279881 227423869 /nfs/dbraw/zinc/42/38/69/227423869.db2.gz RXYYIXHBBUAYEL-LBPRGKRZSA-N 1 0 321.377 1.849 20 5 DDBDRO O=C(COc1cccc([N+](=O)[O-])c1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000365364243 418853656 /nfs/dbraw/zinc/85/36/56/418853656.db2.gz XPDXTUUKYSASDB-SMDDNHRTSA-N 1 0 305.334 1.184 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1NC[C@@H]1C[N@@H+]3CCC[C@H]3CO1)CCN2 ZINC000365542873 418873544 /nfs/dbraw/zinc/87/35/44/418873544.db2.gz CBCZIJHOAXOHMA-NWDGAFQWSA-N 1 0 318.377 1.838 20 5 DDBDRO Cc1cc(NC(=O)C(=O)NCC[N@@H+](C)C(C)C)ccc1[N+](=O)[O-] ZINC000411245548 418883470 /nfs/dbraw/zinc/88/34/70/418883470.db2.gz PBCJFFOMFXFXKU-UHFFFAOYSA-N 1 0 322.365 1.298 20 5 DDBDRO COC(=O)c1cnc(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000365055774 418835244 /nfs/dbraw/zinc/83/52/44/418835244.db2.gz WJBLFOZWVNJZTE-RYUDHWBXSA-N 1 0 320.349 1.815 20 5 DDBDRO COc1cc(C(=O)NC[C@@H]2C[NH2+]CCCO2)cc([N+](=O)[O-])c1C ZINC000423750359 227659382 /nfs/dbraw/zinc/65/93/82/227659382.db2.gz UTZOPPYNMGPCTA-LBPRGKRZSA-N 1 0 323.349 1.020 20 5 DDBDRO CN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCC[N@@H+]1C ZINC000420994082 419426831 /nfs/dbraw/zinc/42/68/31/419426831.db2.gz BTMPYLSTAUMNRJ-HNNXBMFYSA-N 1 0 320.393 1.949 20 5 DDBDRO CN(C)CC(C)(C)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411824319 419431929 /nfs/dbraw/zinc/43/19/29/419431929.db2.gz XCCBHLCCYFHEJQ-UHFFFAOYSA-N 1 0 308.382 1.853 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)C[C@H]1CCC[N@@H+]1C ZINC000420997585 419434716 /nfs/dbraw/zinc/43/47/16/419434716.db2.gz HGYTVQDGUIUGRL-CQSZACIVSA-N 1 0 320.393 1.868 20 5 DDBDRO Cc1c(CNC(=O)N[C@@H]2CC[C@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000418077382 419513111 /nfs/dbraw/zinc/51/31/11/419513111.db2.gz HSBJHESACZCXOJ-WCQYABFASA-N 1 0 306.366 1.830 20 5 DDBDRO CN(C)C(=O)[C@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000411948242 419514666 /nfs/dbraw/zinc/51/46/66/419514666.db2.gz UOMRNIVGVCFORE-LBPRGKRZSA-N 1 0 307.350 1.384 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC000427324491 419636730 /nfs/dbraw/zinc/63/67/30/419636730.db2.gz MWISOVJMMYOAGZ-QWRGUYRKSA-N 1 0 307.354 1.168 20 5 DDBDRO C[C@@H]1C[C@H](O)C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000412042129 419581313 /nfs/dbraw/zinc/58/13/13/419581313.db2.gz TWVVAQHRBWQYIP-AGIUHOORSA-N 1 0 310.350 1.037 20 5 DDBDRO CNC(=O)NC1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000412053364 419599735 /nfs/dbraw/zinc/59/97/35/419599735.db2.gz HYIZGLPUVAISRP-UHFFFAOYSA-N 1 0 322.365 1.367 20 5 DDBDRO COCC[NH2+]CCNC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000418240515 419640744 /nfs/dbraw/zinc/64/07/44/419640744.db2.gz ZQEJQHAPFNUSKN-NSHDSACASA-N 1 0 310.354 1.191 20 5 DDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000418341073 419723242 /nfs/dbraw/zinc/72/32/42/419723242.db2.gz OJHWKHDZOFUTOT-GFCCVEGCSA-N 1 0 306.366 1.736 20 5 DDBDRO C[C@H]1CN(C/C=C\c2ccccc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000428460085 419873236 /nfs/dbraw/zinc/87/32/36/419873236.db2.gz FYAIIRXUAMBPQI-SDQPKGBYSA-N 1 0 305.378 1.606 20 5 DDBDRO COC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1)[C@@H]1CCCO1 ZINC000434789241 229332845 /nfs/dbraw/zinc/33/28/45/229332845.db2.gz XAPVGKXRMKZGAW-OCCSQVGLSA-N 1 0 310.350 1.887 20 5 DDBDRO C[C@@H](CCC[NH3+])NC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000418693950 419937406 /nfs/dbraw/zinc/93/74/06/419937406.db2.gz VEEIYCWJDUQNQQ-LBPRGKRZSA-N 1 0 308.382 1.906 20 5 DDBDRO O=[N+]([O-])c1ccc(-c2ccc(CNC[C@@H]3C[NH2+]CCO3)o2)cc1 ZINC000415096419 419941071 /nfs/dbraw/zinc/94/10/71/419941071.db2.gz PTEWGVXIPQHWRK-HNNXBMFYSA-N 1 0 317.345 1.933 20 5 DDBDRO CC(C)C[C@H]([NH3+])CN1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000415115650 419952532 /nfs/dbraw/zinc/95/25/32/419952532.db2.gz YPQZTACJWMFMJF-ZDUSSCGKSA-N 1 0 307.398 1.485 20 5 DDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000418790973 419984242 /nfs/dbraw/zinc/98/42/42/419984242.db2.gz NFGSHFAVAFMWAR-ZDUSSCGKSA-N 1 0 322.365 1.115 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000415297902 420011712 /nfs/dbraw/zinc/01/17/12/420011712.db2.gz ORFKMACNRHXLPZ-NSHDSACASA-N 1 0 308.338 1.322 20 5 DDBDRO COc1cccc(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)c1[N+](=O)[O-] ZINC000423664140 420118914 /nfs/dbraw/zinc/11/89/14/420118914.db2.gz FEQJKILYAGMFEG-TXEJJXNPSA-N 1 0 319.361 1.675 20 5 DDBDRO CCOC(=O)c1cc(C(=O)N[C@H](C)CCC[NH3+])cc([N+](=O)[O-])c1 ZINC000423665601 420119941 /nfs/dbraw/zinc/11/99/41/420119941.db2.gz JZUBMMJTVKBQGF-SNVBAGLBSA-N 1 0 323.349 1.629 20 5 DDBDRO COc1ccc(NC(=O)CN[C@](C)(C[NH3+])C(C)C)c([N+](=O)[O-])c1 ZINC000430555529 420135962 /nfs/dbraw/zinc/13/59/62/420135962.db2.gz SHONKUOTZSAQMQ-OAHLLOKOSA-N 1 0 324.381 1.505 20 5 DDBDRO C[NH2+]CCNc1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC000420153682 420136244 /nfs/dbraw/zinc/13/62/44/420136244.db2.gz HAIZTCIWLZVXOD-UHFFFAOYSA-N 1 0 302.334 2.200 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000423534022 420075133 /nfs/dbraw/zinc/07/51/33/420075133.db2.gz ZEAUHLXLTDUJGZ-SRVKXCTJSA-N 1 0 319.361 1.803 20 5 DDBDRO CNC(=O)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000430202394 420089617 /nfs/dbraw/zinc/08/96/17/420089617.db2.gz CLNVEIBTWHIPFF-UHFFFAOYSA-N 1 0 307.350 1.561 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000430566731 420141751 /nfs/dbraw/zinc/14/17/51/420141751.db2.gz SNMVDKVKUSXOOF-OLZOCXBDSA-N 1 0 318.377 1.668 20 5 DDBDRO O=C(CN1C[C@H]2C[NH2+]C[C@H]2C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000420314200 420201627 /nfs/dbraw/zinc/20/16/27/420201627.db2.gz QHJZTSFXEJKBOA-AOOOYVTPSA-N 1 0 324.768 1.338 20 5 DDBDRO O=C(CCN(C1CC1)[C@H]1CC[NH2+]C1)Nc1ccccc1[N+](=O)[O-] ZINC000420325400 420209933 /nfs/dbraw/zinc/20/99/33/420209933.db2.gz WBBKTDNYOTVGIH-ZDUSSCGKSA-N 1 0 318.377 1.750 20 5 DDBDRO [NH3+]C[C@@H]1CCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000430930459 420211454 /nfs/dbraw/zinc/21/14/54/420211454.db2.gz AWHSKFBNUAEYBE-VIFPVBQESA-N 1 0 312.757 1.467 20 5 DDBDRO CCCN(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CC[NH2+]C1 ZINC000430931198 420212605 /nfs/dbraw/zinc/21/26/05/420212605.db2.gz VPQIPWVYOVLIEC-OAHLLOKOSA-N 1 0 320.393 1.632 20 5 DDBDRO [NH3+]C1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000430608292 420156665 /nfs/dbraw/zinc/15/66/65/420156665.db2.gz FAYXNEKCLKWMJC-UHFFFAOYSA-N 1 0 303.322 1.568 20 5 DDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000415758614 420167357 /nfs/dbraw/zinc/16/73/57/420167357.db2.gz HTEWXIYURPSORK-RISCZKNCSA-N 1 0 304.350 1.983 20 5 DDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1C[NH2+]CCN1C ZINC000415756749 420168323 /nfs/dbraw/zinc/16/83/23/420168323.db2.gz FIKWGUXCCKVABG-CYBMUJFWSA-N 1 0 321.381 1.182 20 5 DDBDRO [NH3+]C[C@H]1CC[C@H](Nc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000420264388 420172425 /nfs/dbraw/zinc/17/24/25/420172425.db2.gz CWXVVIMJCMLXLC-ONGXEEELSA-N 1 0 303.322 2.184 20 5 DDBDRO CN1CC[NH2+]C[C@H]1CNc1nccc2c1cccc2[N+](=O)[O-] ZINC000420272761 420177528 /nfs/dbraw/zinc/17/75/28/420177528.db2.gz LPTJJWUABHOTSC-NSHDSACASA-N 1 0 301.350 1.459 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000415790310 420178095 /nfs/dbraw/zinc/17/80/95/420178095.db2.gz RLWCQQMYWRVKSK-ZJUUUORDSA-N 1 0 308.338 1.002 20 5 DDBDRO CC[C@@H]([NH3+])CNC(=O)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000415791705 420178467 /nfs/dbraw/zinc/17/84/67/420178467.db2.gz RWXDLLJINFOFOP-SNVBAGLBSA-N 1 0 308.338 1.004 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000420355088 420231871 /nfs/dbraw/zinc/23/18/71/420231871.db2.gz BPRQNIUIOMRJMX-XHBSWPGZSA-N 1 0 320.393 1.818 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@@H](C)[NH2+]C[C@H]1C ZINC000420392133 420258882 /nfs/dbraw/zinc/25/88/82/420258882.db2.gz IZKUUCACPDDWLX-CHWSQXEVSA-N 1 0 320.393 1.914 20 5 DDBDRO COc1ccc(OCCN2CC[C@@H](C)[C@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000420396954 420261373 /nfs/dbraw/zinc/26/13/73/420261373.db2.gz FMXUGTIKASRLQR-CHWSQXEVSA-N 1 0 323.393 1.899 20 5 DDBDRO [NH3+][C@H](CC(F)F)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000423842748 420220724 /nfs/dbraw/zinc/22/07/24/420220724.db2.gz KGQNSSSRZSQDCI-SECBINFHSA-N 1 0 307.684 1.847 20 5 DDBDRO C[NH+](C)C1CCC(Nc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000420630617 420334682 /nfs/dbraw/zinc/33/46/82/420334682.db2.gz SUAYNKMBLZMATM-UHFFFAOYSA-N 1 0 306.366 1.978 20 5 DDBDRO Cc1ccc(S(=O)(=O)N[C@H](C)CCC[NH3+])c([N+](=O)[O-])c1 ZINC000420451241 420296153 /nfs/dbraw/zinc/29/61/53/420296153.db2.gz YWGZZLTWRLXNKW-SNVBAGLBSA-N 1 0 301.368 1.309 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000416498112 420394300 /nfs/dbraw/zinc/39/43/00/420394300.db2.gz WLEZEPWPBOQXRX-NSHDSACASA-N 1 0 313.379 1.133 20 5 DDBDRO C[NH+](C)[C@@H](CNc1ncc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000302149581 230126278 /nfs/dbraw/zinc/12/62/78/230126278.db2.gz JTBHITHPXDXTIP-CYBMUJFWSA-N 1 0 301.350 1.970 20 5 DDBDRO COc1cccc(C[N@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000438786476 420465526 /nfs/dbraw/zinc/46/55/26/420465526.db2.gz YMHPKXXFIWLTHO-AWEZNQCLSA-N 1 0 320.349 1.293 20 5 DDBDRO O=C(NCCC[C@H]1CCC[NH2+]1)NCCc1ccccc1[N+](=O)[O-] ZINC000417767703 420472947 /nfs/dbraw/zinc/47/29/47/420472947.db2.gz QTHBUKPBYOOCTO-CQSZACIVSA-N 1 0 320.393 1.969 20 5 DDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000417772068 420475048 /nfs/dbraw/zinc/47/50/48/420475048.db2.gz VSIGSFSXPDFBJT-OCCSQVGLSA-N 1 0 304.350 1.141 20 5 DDBDRO CNc1nc(C(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000457084949 420603983 /nfs/dbraw/zinc/60/39/83/420603983.db2.gz GYXWGXZXRRVXAJ-NSHDSACASA-N 1 0 321.381 1.586 20 5 DDBDRO C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])s1)[C@H]1CCC[NH2+]C1 ZINC000440359553 420569437 /nfs/dbraw/zinc/56/94/37/420569437.db2.gz PMEFFEJJDGDBOQ-BDAKNGLRSA-N 1 0 319.408 1.323 20 5 DDBDRO CCN(CC(=O)Nc1c(C)cccc1[N+](=O)[O-])[C@@H]1CCNC1=O ZINC000440955760 420621914 /nfs/dbraw/zinc/62/19/14/420621914.db2.gz HBYATHYLUVLKRT-GFCCVEGCSA-N 1 0 320.349 1.052 20 5 DDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCC[N@H+]1CCCO ZINC000452781829 420659608 /nfs/dbraw/zinc/65/96/08/420659608.db2.gz ISQXBOGSYLMJOX-OAHLLOKOSA-N 1 0 321.377 1.100 20 5 DDBDRO O=C(NCCNc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000492892023 420701245 /nfs/dbraw/zinc/70/12/45/420701245.db2.gz ODMTVUXGGOZUJS-HNNXBMFYSA-N 1 0 318.377 1.750 20 5 DDBDRO O=C(NCC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)C1CC1 ZINC000447515974 420777667 /nfs/dbraw/zinc/77/76/67/420777667.db2.gz MQPOABUKOVMZGZ-QWHCGFSZSA-N 1 0 321.381 1.391 20 5 DDBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000493527128 420873364 /nfs/dbraw/zinc/87/33/64/420873364.db2.gz RJIGPJNYNXVWRJ-JBGNVSFKSA-N 1 0 301.346 1.961 20 5 DDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCCS1(=O)=O ZINC000449189795 420966321 /nfs/dbraw/zinc/96/63/21/420966321.db2.gz MUKINCWSOLZKLK-WCQYABFASA-N 1 0 312.391 1.693 20 5 DDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCCOCC[NH+](C)C ZINC000471634061 420934764 /nfs/dbraw/zinc/93/47/64/420934764.db2.gz IPIPIGVBHCVJIB-UHFFFAOYSA-N 1 0 324.381 1.314 20 5 DDBDRO CNc1nc(C(=O)N2CCC(C[NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000455662010 421052171 /nfs/dbraw/zinc/05/21/71/421052171.db2.gz JQBJKNYEYCSIML-UHFFFAOYSA-N 1 0 321.381 1.445 20 5 DDBDRO COC[C@@]1(CO)CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000449696757 421061176 /nfs/dbraw/zinc/06/11/76/421061176.db2.gz LDYWPVXYQBURSA-NBUZRDOWSA-N 1 0 306.362 1.939 20 5 DDBDRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000449614744 421038621 /nfs/dbraw/zinc/03/86/21/421038621.db2.gz IOFJINKPPWRXCS-FOCQTFQBSA-N 1 0 307.325 1.980 20 5 DDBDRO CNc1nc(C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)ccc1[N+](=O)[O-] ZINC000456071890 421096423 /nfs/dbraw/zinc/09/64/23/421096423.db2.gz TXGGSLWQMBYWCT-OAHLLOKOSA-N 1 0 319.365 1.199 20 5 DDBDRO Cc1c(NC(=O)CC[N@H+]2CC[C@@H](CO)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000488809135 421119859 /nfs/dbraw/zinc/11/98/59/421119859.db2.gz SXAZSOFZCYXMOS-STQMWFEESA-N 1 0 321.377 1.935 20 5 DDBDRO CC(C)[C@@H]1CN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000488177655 421073539 /nfs/dbraw/zinc/07/35/39/421073539.db2.gz FZZUUTDAIFQADI-HNNXBMFYSA-N 1 0 320.393 1.805 20 5 DDBDRO Cc1nn(CCC(=O)N[C@@H]2CC[NH2+]C2(C)C)c(C)c1[N+](=O)[O-] ZINC000449750813 421074680 /nfs/dbraw/zinc/07/46/80/421074680.db2.gz JSVQFUDRCHRHCH-LLVKDONJSA-N 1 0 309.370 1.055 20 5 DDBDRO C[C@@H]1C[N@H+](CCO)CCN1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000449786395 421084849 /nfs/dbraw/zinc/08/48/49/421084849.db2.gz NMYODXAENJIQKC-YVARQFDVSA-N 1 0 305.378 1.606 20 5 DDBDRO C[NH+]1CCC(n2ccc(Nc3ccc([N+](=O)[O-])nc3)n2)CC1 ZINC000450482139 421202482 /nfs/dbraw/zinc/20/24/82/421202482.db2.gz GEOZHZZQMPUZAK-UHFFFAOYSA-N 1 0 302.338 2.197 20 5 DDBDRO C[C@H]1CN(CCN2CCc3c(cccc3[N+](=O)[O-])C2)CCO1 ZINC000564058985 421566032 /nfs/dbraw/zinc/56/60/32/421566032.db2.gz VPGLWPNXDQXJBS-ZDUSSCGKSA-N 1 0 305.378 1.674 20 5 DDBDRO CCC[C@@H](C)[C@H](CO)[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000564090221 421568374 /nfs/dbraw/zinc/56/83/74/421568374.db2.gz MVTMJRUKAYPYOT-DOMZBBRYSA-N 1 0 323.393 1.944 20 5 DDBDRO CC(C)C[C@@](C)(C[NH3+])NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000570321880 421639386 /nfs/dbraw/zinc/63/93/86/421639386.db2.gz HZIURTDXXSXDNI-HNNXBMFYSA-N 1 0 323.349 1.817 20 5 DDBDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000531630421 421639720 /nfs/dbraw/zinc/63/97/20/421639720.db2.gz XPJKPIPHENEIJL-LBPRGKRZSA-N 1 0 306.366 1.840 20 5 DDBDRO CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)c1c([N+](=O)[O-])cnn1C ZINC000554599988 421654185 /nfs/dbraw/zinc/65/41/85/421654185.db2.gz PUMHFNUTXAJVQW-LLVKDONJSA-N 1 0 309.370 1.275 20 5 DDBDRO CCCN(C(=O)NCc1cccc([N+](=O)[O-])c1)[C@@H]1CC[NH2+]C1 ZINC000570814820 421669772 /nfs/dbraw/zinc/66/97/72/421669772.db2.gz NGCQKDMIEDDPHH-CQSZACIVSA-N 1 0 306.366 1.878 20 5 DDBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](CCC3(O)CCC3)C2)nc1 ZINC000520531258 421754476 /nfs/dbraw/zinc/75/44/76/421754476.db2.gz HXAWEFMGTVSIGW-GFCCVEGCSA-N 1 0 306.366 1.781 20 5 DDBDRO CC[NH+](CC)CC[C@H](CO)NC(=O)c1csc([N+](=O)[O-])c1 ZINC000539920506 421756805 /nfs/dbraw/zinc/75/68/05/421756805.db2.gz FSTMHCZKPLADEO-LLVKDONJSA-N 1 0 315.395 1.479 20 5 DDBDRO CN(CCc1cccc([N+](=O)[O-])c1)c1cc[nH+]cc1C(N)=O ZINC000558689194 421821190 /nfs/dbraw/zinc/82/11/90/421821190.db2.gz TZAAMYGXRSWURB-UHFFFAOYSA-N 1 0 300.318 1.768 20 5 DDBDRO C[C@H](O)[C@@H]1CCC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000543141266 421833929 /nfs/dbraw/zinc/83/39/29/421833929.db2.gz USEHCVPIPDLEBB-MJBXVCDLSA-N 1 0 324.377 1.427 20 5 DDBDRO COc1ccc(CNC(=O)N(C)CCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000543639231 421839632 /nfs/dbraw/zinc/83/96/32/421839632.db2.gz AJYFKPIUOKKJHH-UHFFFAOYSA-N 1 0 324.381 1.697 20 5 DDBDRO CNc1ccc(C(=O)N2CC[C@H](C[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000543956778 421842723 /nfs/dbraw/zinc/84/27/23/421842723.db2.gz IJTDEYWYQBEGRJ-LLVKDONJSA-N 1 0 306.366 1.660 20 5 DDBDRO CC[C@H](CCO)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000573120038 421924584 /nfs/dbraw/zinc/92/45/84/421924584.db2.gz CJJVTILTOWQBRX-LLVKDONJSA-N 1 0 316.379 1.119 20 5 DDBDRO O=[N+]([O-])c1cnc2ccc(N[C@@H]3CCC[N@@H+]4CCCC[C@@H]34)nn21 ZINC000594602465 422352333 /nfs/dbraw/zinc/35/23/33/422352333.db2.gz QSPYHSOGWXNCFB-NEPJUHHUSA-N 1 0 316.365 2.066 20 5 DDBDRO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)NC1C[NH2+]C1 ZINC000576089832 422366810 /nfs/dbraw/zinc/36/68/10/422366810.db2.gz SNULKTLXKADVBM-UHFFFAOYSA-N 1 0 302.237 1.290 20 5 DDBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNc2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000596306831 422373626 /nfs/dbraw/zinc/37/36/26/422373626.db2.gz IQHTWZRORSKDSO-JTQLQIEISA-N 1 0 321.381 1.621 20 5 DDBDRO CC[C@@]1(O)CCC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000602983368 422440718 /nfs/dbraw/zinc/44/07/18/422440718.db2.gz IWZIWTXEPXHMNH-XJKSGUPXSA-N 1 0 324.377 1.571 20 5 DDBDRO Cc1nccn1CC[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000577860251 422445716 /nfs/dbraw/zinc/44/57/16/422445716.db2.gz UJFMDGZNWOVFTE-AWEZNQCLSA-N 1 0 320.349 1.129 20 5 DDBDRO COc1cc(C(=O)N[C@H](C)C[C@H](C)[NH3+])cc([N+](=O)[O-])c1OC ZINC000578324763 422546585 /nfs/dbraw/zinc/54/65/85/422546585.db2.gz VOMFKDXRHHEUGI-DTWKUNHWSA-N 1 0 311.338 1.468 20 5 DDBDRO CC[NH2+]CCNS(=O)(=O)c1ccc(CC)c([N+](=O)[O-])c1 ZINC000578505839 422586360 /nfs/dbraw/zinc/58/63/60/422586360.db2.gz NLJBFYVEVLXAPO-UHFFFAOYSA-N 1 0 301.368 1.045 20 5 DDBDRO Cc1cc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)ccc1Cl ZINC000578880576 422667023 /nfs/dbraw/zinc/66/70/23/422667023.db2.gz GXVREFBDOAPILS-ZDUSSCGKSA-N 1 0 324.768 1.904 20 5 DDBDRO CS(=O)(=O)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000035251564 263254054 /nfs/dbraw/zinc/25/40/54/263254054.db2.gz BGYOCRHNXQFCLR-UHFFFAOYSA-N 1 0 313.379 1.108 20 5 DDBDRO CCC1(CC)CN(CCn2ccc([N+](=O)[O-])n2)CC[S@]1=O ZINC000185293118 263392330 /nfs/dbraw/zinc/39/23/30/263392330.db2.gz UYJBGXLESRWURW-OAQYLSRUSA-N 1 0 314.411 1.414 20 5 DDBDRO C[C@]1(C(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC[NH2+]C1 ZINC000237537032 263580346 /nfs/dbraw/zinc/58/03/46/263580346.db2.gz QXRWROUEMSQDJN-NHYWBVRUSA-N 1 0 319.365 1.002 20 5 DDBDRO CCOC1(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCCC1 ZINC000319707408 271023189 /nfs/dbraw/zinc/02/31/89/271023189.db2.gz IWSBRQKKKKDNFX-CYBMUJFWSA-N 1 0 312.370 1.091 20 5 DDBDRO Cn1cc([C@@H]([NH2+]CCn2ccc([N+](=O)[O-])n2)C(C)(C)C)cn1 ZINC000342337623 271381628 /nfs/dbraw/zinc/38/16/28/271381628.db2.gz MUDQSFJZQPLKSD-CYBMUJFWSA-N 1 0 306.370 1.902 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCC[C@H]1C(=O)NC ZINC000345819385 272343672 /nfs/dbraw/zinc/34/36/72/272343672.db2.gz PPWOPJJKURYVNF-KGLIPLIRSA-N 1 0 321.377 1.998 20 5 DDBDRO CC(C)C[NH+]1CCC(Nc2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000298445737 273510999 /nfs/dbraw/zinc/51/09/99/273510999.db2.gz SBHFMSAWVSKSGC-UHFFFAOYSA-N 1 0 321.381 1.621 20 5 DDBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CNCCO1 ZINC000415091121 275040066 /nfs/dbraw/zinc/04/00/66/275040066.db2.gz BPRLQCBZHQDJDR-NUEKZKHPSA-N 1 0 319.405 1.884 20 5 DDBDRO CNc1nc(C(=O)N2CCC[C@H]([NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000456041714 277303648 /nfs/dbraw/zinc/30/36/48/277303648.db2.gz OIBFELQHRIYWDL-NSHDSACASA-N 1 0 321.381 1.588 20 5 DDBDRO CS[C@@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000270519350 278149023 /nfs/dbraw/zinc/14/90/23/278149023.db2.gz SKHSNTASQLANEE-ZIAGYGMSSA-N 1 0 323.418 1.641 20 5 DDBDRO C[C@H](C[NH3+])CN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000423314285 278181952 /nfs/dbraw/zinc/18/19/52/278181952.db2.gz XYKXZFKNRBAHMJ-BXUZGUMPSA-N 1 0 303.366 1.602 20 5 DDBDRO C[C@H](C[NH3+])NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000274397958 278184101 /nfs/dbraw/zinc/18/41/01/278184101.db2.gz FUMVVSAYBNONGI-ZCFIWIBFSA-N 1 0 302.128 1.434 20 5 DDBDRO C[C@@H](C[NH+](C)C)NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000286526927 278239825 /nfs/dbraw/zinc/23/98/25/278239825.db2.gz BJBXNMZVRDTLQN-NSHDSACASA-N 1 0 315.395 1.007 20 5 DDBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000286930894 279088228 /nfs/dbraw/zinc/08/82/28/279088228.db2.gz NJVZRMKKPZNZIK-HIFRSBDPSA-N 1 0 320.393 1.315 20 5 DDBDRO C[C@@]1([NH3+])CCCC[C@H]1C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000423820639 279168811 /nfs/dbraw/zinc/16/88/11/279168811.db2.gz CGBSYTURPKYOQP-XJKSGUPXSA-N 1 0 318.377 1.782 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@H]3CC[N@@H+](C)C[C@@H]32)c1 ZINC000332336396 281007989 /nfs/dbraw/zinc/00/79/89/281007989.db2.gz VYAMZIJWPVXMIO-GJZGRUSLSA-N 1 0 319.361 1.448 20 5 DDBDRO CCNC(=O)CN(CC)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000126796611 281252705 /nfs/dbraw/zinc/25/27/05/281252705.db2.gz FSWFOEJXBZFFIR-NSHDSACASA-N 1 0 322.365 1.380 20 5 DDBDRO C[NH+]1CCC(CC(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)CC1 ZINC000362972183 300191688 /nfs/dbraw/zinc/19/16/88/300191688.db2.gz IYTNMMBLBMYYAR-UHFFFAOYSA-N 1 0 318.377 1.606 20 5 DDBDRO CN(C(=O)[C@@H]1C[C@@H]1[N+](=O)[O-])C1CC[NH+](Cc2ccccc2)CC1 ZINC000362985816 300194382 /nfs/dbraw/zinc/19/43/82/300194382.db2.gz JVZOOQBEOJIVBQ-CVEARBPZSA-N 1 0 317.389 1.775 20 5 DDBDRO O=C(NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)[C@H]1C[C@@H]1[N+](=O)[O-] ZINC000364454398 300399221 /nfs/dbraw/zinc/39/92/21/300399221.db2.gz KPTBXFIEPGQNKN-JYJNAYRXSA-N 1 0 317.389 1.823 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CCCn2cccn2)c1 ZINC000574935719 304699328 /nfs/dbraw/zinc/69/93/28/304699328.db2.gz RMKIVAXKYYQMLU-CQSZACIVSA-N 1 0 320.349 1.211 20 5 DDBDRO O=[N+]([O-])c1cnc(N2CCC(CC[NH+]3CCOCC3)CC2)nc1 ZINC000368089350 300951092 /nfs/dbraw/zinc/95/10/92/300951092.db2.gz BIMVSIYEJXUQBA-UHFFFAOYSA-N 1 0 321.381 1.324 20 5 DDBDRO CCc1n[nH]c(C(=O)N2CC[C@H]3CC[N@H+](C)[C@H]3C2)c1[N+](=O)[O-] ZINC000368587546 301058425 /nfs/dbraw/zinc/05/84/25/301058425.db2.gz DACMUPGTYLDVJN-KOLCDFICSA-N 1 0 307.354 1.047 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000374639958 301829982 /nfs/dbraw/zinc/82/99/82/301829982.db2.gz BRGWIPCZFIQQRY-LEWSCRJBSA-N 1 0 304.350 1.498 20 5 DDBDRO CC(C)[C@]1(CO)CC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000377651844 302204102 /nfs/dbraw/zinc/20/41/02/302204102.db2.gz KGAWZKZZVPQTKD-HZPDHXFCSA-N 1 0 308.378 1.969 20 5 DDBDRO O=C1NC[C@@H]2C[N@H+](CCOc3cccc([N+](=O)[O-])c3)CC[C@H]12 ZINC000377673044 302209361 /nfs/dbraw/zinc/20/93/61/302209361.db2.gz RLMNOGOHGSYJAW-RISCZKNCSA-N 1 0 305.334 1.042 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000377848155 302242573 /nfs/dbraw/zinc/24/25/73/302242573.db2.gz USTZCOYIMLTPNH-ZDUSSCGKSA-N 1 0 318.377 1.760 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCCC12CCOCC2 ZINC000378359293 302317309 /nfs/dbraw/zinc/31/73/09/302317309.db2.gz HDESZGOZDLEYCS-UHFFFAOYSA-N 1 0 307.350 1.402 20 5 DDBDRO CC(C)(CC[NH3+])NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000397183045 302352542 /nfs/dbraw/zinc/35/25/42/302352542.db2.gz KCDJRZWDRDSZOM-UHFFFAOYSA-N 1 0 301.368 1.142 20 5 DDBDRO [NH3+]C[C@@H]1CC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000420443062 302384953 /nfs/dbraw/zinc/38/49/53/302384953.db2.gz ABKCXAYLASLLTK-HTQZYQBOSA-N 1 0 305.381 1.062 20 5 DDBDRO C[C@H](NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)[C@H]1CCC[NH2+]C1 ZINC000516174799 302785193 /nfs/dbraw/zinc/78/51/93/302785193.db2.gz YAYOOUWAWYFBGC-UWVGGRQHSA-N 1 0 321.333 1.441 20 5 DDBDRO C[C@@H]1C[NH+]([C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C[C@H]1C ZINC000531441814 303245397 /nfs/dbraw/zinc/24/53/97/303245397.db2.gz CWYXEIQKQVCLPK-JTNHKYCSSA-N 1 0 317.345 1.815 20 5 DDBDRO CNc1ccc(C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000532078035 303274963 /nfs/dbraw/zinc/27/49/63/303274963.db2.gz IJQDDULYVBYBNF-HZMBPMFUSA-N 1 0 318.377 1.849 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]Cc2ccncc2)c1 ZINC000551574697 303633977 /nfs/dbraw/zinc/63/39/77/303633977.db2.gz NCJHJWMVHMVLKR-CQSZACIVSA-N 1 0 303.318 1.519 20 5 DDBDRO O=C(NC[C@@H]1CCC[N@H+](Cc2cccnc2)C1)[C@H]1C[C@H]1[N+](=O)[O-] ZINC000363398879 307027302 /nfs/dbraw/zinc/02/73/02/307027302.db2.gz QBJWAAMWMCFAND-SOUVJXGZSA-N 1 0 318.377 1.075 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@@H](c3ccncn3)C2)n1 ZINC000363428954 307027806 /nfs/dbraw/zinc/02/78/06/307027806.db2.gz FNFJTZQLRHZKIQ-GFCCVEGCSA-N 1 0 302.338 1.461 20 5 DDBDRO COC(=O)c1cnc(N2CC[C@@H]3CC[N@H+](C)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000365078310 307057901 /nfs/dbraw/zinc/05/79/01/307057901.db2.gz STZDXCWYRUIEIG-GXFFZTMASA-N 1 0 320.349 1.307 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000367142504 307087013 /nfs/dbraw/zinc/08/70/13/307087013.db2.gz XKUSYUFGUVJORP-STQMWFEESA-N 1 0 307.350 1.115 20 5 DDBDRO O=[N+]([O-])c1cnn(CCN2CCC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000371194707 307144304 /nfs/dbraw/zinc/14/43/04/307144304.db2.gz FVUKCJWEENMVFT-HNNXBMFYSA-N 1 0 321.425 1.989 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[NH+]2CCC(c3cnccn3)CC2)c1 ZINC000375728113 307229697 /nfs/dbraw/zinc/22/96/97/307229697.db2.gz XTTGNLNCQDHFIN-UHFFFAOYSA-N 1 0 302.338 1.461 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)c1 ZINC000375962492 307236271 /nfs/dbraw/zinc/23/62/71/307236271.db2.gz OITWEWJVHKYBFR-HNNXBMFYSA-N 1 0 320.324 1.524 20 5 DDBDRO NC(=O)c1c[nH+]ccc1NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000546578077 307728949 /nfs/dbraw/zinc/72/89/49/307728949.db2.gz DDSYYBPKUSVWIO-UHFFFAOYSA-N 1 0 320.736 1.819 20 5 DDBDRO C[C@H]([NH2+]C[C@@H](O)COC[C@@H]1CCCO1)c1ccccc1[N+](=O)[O-] ZINC000553407099 307830270 /nfs/dbraw/zinc/83/02/70/307830270.db2.gz XWIDHAGSALNVLJ-MJBXVCDLSA-N 1 0 324.377 1.802 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@H]2CCC[C@H](O)C2)c1 ZINC000565893118 308038446 /nfs/dbraw/zinc/03/84/46/308038446.db2.gz WNRUSISXCNBULR-AEGPPILISA-N 1 0 324.377 1.475 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1C[C@@H]2OCCC[C@H]12 ZINC000566132638 308045983 /nfs/dbraw/zinc/04/59/83/308045983.db2.gz VSHYWFGZVGAGHK-JXFSHQFZSA-N 1 0 322.361 1.492 20 5 DDBDRO NC(=O)c1cccc(N2CC[C@@H]([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000566717238 308061017 /nfs/dbraw/zinc/06/10/17/308061017.db2.gz SEEMUACNRJPOAY-LLVKDONJSA-N 1 0 304.350 1.368 20 5 DDBDRO Cc1cc(CC[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)on1 ZINC000568621016 308124575 /nfs/dbraw/zinc/12/45/75/308124575.db2.gz QECLVKUXJKSWGT-CYBMUJFWSA-N 1 0 321.333 1.463 20 5 DDBDRO C[C@@]1(C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)CCC[NH2+]1 ZINC000570794365 308179963 /nfs/dbraw/zinc/17/99/63/308179963.db2.gz MIDASUTVNJVJDP-AWEZNQCLSA-N 1 0 307.354 1.097 20 5 DDBDRO O=C(CC[NH2+]C[C@@H](O)C1CCC1)Nc1ccccc1[N+](=O)[O-] ZINC000571326701 308194410 /nfs/dbraw/zinc/19/44/10/308194410.db2.gz KAFVLKSQLGJKKE-CQSZACIVSA-N 1 0 307.350 1.674 20 5 DDBDRO CNc1nc(C(=O)NC[C@H]2CCC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000572358499 308218818 /nfs/dbraw/zinc/21/88/18/308218818.db2.gz DSXVNZXVUZORPD-SNVBAGLBSA-N 1 0 307.354 1.103 20 5 DDBDRO COc1cccc(C(=O)N2CCC[C@H]3C[NH2+]C[C@H]32)c1[N+](=O)[O-] ZINC000573834232 308252741 /nfs/dbraw/zinc/25/27/41/308252741.db2.gz SISVDGNLILEVHA-CMPLNLGQSA-N 1 0 305.334 1.427 20 5 DDBDRO Cc1ccc([C@@H](C)C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000576749156 308336438 /nfs/dbraw/zinc/33/64/38/308336438.db2.gz NGNZRHMOQXJVHD-BBRMVZONSA-N 1 0 318.377 1.854 20 5 DDBDRO COC[C@]1(C(=O)N2CCc3c2cccc3[N+](=O)[O-])CC[NH2+]C1 ZINC000577858657 308419471 /nfs/dbraw/zinc/41/94/71/308419471.db2.gz ORGDPJQYRDKFMY-HNNXBMFYSA-N 1 0 305.334 1.110 20 5 DDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000578192350 308444299 /nfs/dbraw/zinc/44/42/99/308444299.db2.gz NJTRBOHMMLXOOS-UWVGGRQHSA-N 1 0 322.365 1.338 20 5 DDBDRO COc1cc(C(=O)N[C@H](C)C[C@@H](C)[NH3+])cc([N+](=O)[O-])c1OC ZINC000578324765 308453966 /nfs/dbraw/zinc/45/39/66/308453966.db2.gz VOMFKDXRHHEUGI-RKDXNWHRSA-N 1 0 311.338 1.468 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2C[C@@H]2C2CCCCC2)c1 ZINC000580065048 308576910 /nfs/dbraw/zinc/57/69/10/308576910.db2.gz HIDVGWOQUCDNFW-KFWWJZLASA-N 1 0 308.382 1.711 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CC[C@@H]2CCCCO2)c1 ZINC000571672493 484342944 /nfs/dbraw/zinc/34/29/44/484342944.db2.gz ULVDORVXNKEYQF-GJZGRUSLSA-N 1 0 324.377 1.883 20 5 DDBDRO COC(=O)c1cc(C(=O)NC2(C)CC[NH2+]CC2)cc([N+](=O)[O-])c1 ZINC000423611965 533730652 /nfs/dbraw/zinc/73/06/52/533730652.db2.gz NZNYXHWWBAIMPP-UHFFFAOYSA-N 1 0 321.333 1.253 20 5 DDBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@@H](F)C2)c([N+](=O)[O-])c1 ZINC000451190033 534066364 /nfs/dbraw/zinc/06/63/64/534066364.db2.gz GAGVCMGOYWDJDX-SNVBAGLBSA-N 1 0 311.313 1.976 20 5 DDBDRO O=C(NCC[C@@H]1CC[NH2+]C1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000422802285 534414583 /nfs/dbraw/zinc/41/45/83/534414583.db2.gz GZMXDXOCFXPBCR-NSHDSACASA-N 1 0 314.345 1.872 20 5 DDBDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C1 ZINC000156015273 519675723 /nfs/dbraw/zinc/67/57/23/519675723.db2.gz AHOWTNUTZTUWSL-NSHDSACASA-N 1 0 322.365 1.546 20 5 DDBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3COC[C@H]3O)o2)cc1 ZINC000295779193 534881079 /nfs/dbraw/zinc/88/10/79/534881079.db2.gz YZJDGBUTDORALP-ZIAGYGMSSA-N 1 0 304.302 1.704 20 5 DDBDRO CCOc1ccc(C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000449714100 528404673 /nfs/dbraw/zinc/40/46/73/528404673.db2.gz ZNPMNWMIDBPDEZ-ZYHUDNBSSA-N 1 0 307.350 1.851 20 5 DDBDRO CCCc1n[nH]c(C(=O)NCCC[C@H]2CCC[NH2+]2)c1[N+](=O)[O-] ZINC000294818454 528545600 /nfs/dbraw/zinc/54/56/00/528545600.db2.gz KFKIGUXRABMNFK-SNVBAGLBSA-N 1 0 309.370 1.532 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)c1 ZINC000422825864 528610995 /nfs/dbraw/zinc/61/09/95/528610995.db2.gz QCTREZFQANRHQL-GHMZBOCLSA-N 1 0 307.350 1.816 20 5 DDBDRO CC[N@@H+]1CCC[C@H](Nc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 ZINC000821254662 606701479 /nfs/dbraw/zinc/70/14/79/606701479.db2.gz OFNLYDRCDBIFEL-VIFPVBQESA-N 1 0 318.341 1.066 20 5 DDBDRO CC[N@@H+]1C[C@@H](C)[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000821242874 606732436 /nfs/dbraw/zinc/73/24/36/606732436.db2.gz XGIKUCLABASLQB-RNCFNFMXSA-N 1 0 317.353 1.527 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N(C)[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000058233573 696302592 /nfs/dbraw/zinc/30/25/92/696302592.db2.gz OQCKELXXLAVGOZ-SNVBAGLBSA-N 1 0 308.294 1.245 20 5 DDBDRO Cc1ccc(S(=O)(=O)N[C@@H](C[NH3+])CC(C)C)cc1[N+](=O)[O-] ZINC000111829888 696645977 /nfs/dbraw/zinc/64/59/77/696645977.db2.gz XPXJRACKTVAEKV-LLVKDONJSA-N 1 0 315.395 1.555 20 5 DDBDRO CC(C)[C@H](C(=O)OCCn1ccc([N+](=O)[O-])n1)[NH+]1CCCC1 ZINC000748130109 700101471 /nfs/dbraw/zinc/10/14/71/700101471.db2.gz VNAPHNBAGFNZJR-CYBMUJFWSA-N 1 0 310.354 1.455 20 5 DDBDRO C[C@H]([NH3+])[C@H]1CN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCO1 ZINC000127798302 696774288 /nfs/dbraw/zinc/77/42/88/696774288.db2.gz MYRBRIMBRNXSTJ-QPUJVOFHSA-N 1 0 313.741 1.436 20 5 DDBDRO C[C@](C[NH3+])(NC(=O)COc1ccc([N+](=O)[O-])c(F)c1)C1CC1 ZINC000154908287 696939788 /nfs/dbraw/zinc/93/97/88/696939788.db2.gz CNCPNTSRLFRUKE-CQSZACIVSA-N 1 0 311.313 1.356 20 5 DDBDRO CCCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@@]2(C)C1 ZINC000982278521 697082053 /nfs/dbraw/zinc/08/20/53/697082053.db2.gz HDEIYJKNYIZPTA-XOUADPBQSA-N 1 0 309.410 1.622 20 5 DDBDRO O=[N+]([O-])c1cc(CN2CC[NH2+]CC2)ccc1Br ZINC000159311515 697309178 /nfs/dbraw/zinc/30/91/78/697309178.db2.gz UGSISXLQJKYZPM-UHFFFAOYSA-N 1 0 300.156 1.763 20 5 DDBDRO [NH3+][C@@H]1CCN(Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000159487488 697309939 /nfs/dbraw/zinc/30/99/39/697309939.db2.gz ODCSQFGDFUWFSW-SECBINFHSA-N 1 0 300.156 1.890 20 5 DDBDRO Cc1cc(C(=O)NCCC[NH+]2CCCC2)c(N)c([N+](=O)[O-])c1 ZINC000749335416 700157170 /nfs/dbraw/zinc/15/71/70/700157170.db2.gz QSIVCIJLHDZWOQ-UHFFFAOYSA-N 1 0 306.366 1.701 20 5 DDBDRO CN(C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000776581635 698120835 /nfs/dbraw/zinc/12/08/35/698120835.db2.gz FQAHGJLKHUBMJI-HOTGVXAUSA-N 1 0 305.378 1.797 20 5 DDBDRO COC(=O)[C@@H](C)C[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000776582117 698121244 /nfs/dbraw/zinc/12/12/44/698121244.db2.gz QNUIPDIIELLOCW-XHDPSFHLSA-N 1 0 322.361 1.902 20 5 DDBDRO CC[C@@](C)(CC(=O)OC)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776591410 698123649 /nfs/dbraw/zinc/12/36/49/698123649.db2.gz MFOGNSMDZVKCGT-ZFWWWQNUSA-N 1 0 310.350 1.950 20 5 DDBDRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000262026869 698451123 /nfs/dbraw/zinc/45/11/23/698451123.db2.gz RXSANMJQXBTPFS-QWRGUYRKSA-N 1 0 309.391 1.883 20 5 DDBDRO C[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)Cc1cn[nH]c1 ZINC000782515469 698733615 /nfs/dbraw/zinc/73/36/15/698733615.db2.gz BMZJUFNEBSCEGG-UHFFFAOYSA-N 1 0 321.312 1.918 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000782614834 698750921 /nfs/dbraw/zinc/75/09/21/698750921.db2.gz GLIRPRSPKXWYMV-WBMJQRKESA-N 1 0 319.361 1.546 20 5 DDBDRO O=C(CC[N@H+]1C[C@H]2C[C@@]2(CO)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000782618720 698751797 /nfs/dbraw/zinc/75/17/97/698751797.db2.gz OKBGYCILPRLILP-BMIGLBTASA-N 1 0 323.324 1.377 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@]2(CCC[NH2+]2)C1 ZINC000420394949 699139023 /nfs/dbraw/zinc/13/90/23/699139023.db2.gz BDDRIUWSLWXNDD-MRXNPFEDSA-N 1 0 318.377 1.670 20 5 DDBDRO [NH3+]CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)C(F)F ZINC000702055247 699228059 /nfs/dbraw/zinc/22/80/59/699228059.db2.gz ZRFGHPPRHNZNDA-MRVPVSSYSA-N 1 0 307.684 1.961 20 5 DDBDRO COCCN1CC[C@H]([NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000788592505 699326104 /nfs/dbraw/zinc/32/61/04/699326104.db2.gz CEQZEGLPEFFTBV-YPMHNXCESA-N 1 0 308.382 1.548 20 5 DDBDRO CN(C(=O)c1ccc(N)c([N+](=O)[O-])c1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000732165313 699548641 /nfs/dbraw/zinc/54/86/41/699548641.db2.gz DZCMTFNIOPBJBW-LBPRGKRZSA-N 1 0 304.350 1.486 20 5 DDBDRO C[C@H](O)C[C@@H]1CCCN1Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000794637413 699820394 /nfs/dbraw/zinc/82/03/94/699820394.db2.gz WINGXHOGAYGTTE-QWRGUYRKSA-N 1 0 321.333 1.696 20 5 DDBDRO CC(C)[C@@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1nncn1C ZINC000796185096 699918284 /nfs/dbraw/zinc/91/82/84/699918284.db2.gz GCXOJIQGVOAQGQ-UONOGXRCSA-N 1 0 319.365 1.744 20 5 DDBDRO Cc1cc(C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)c(N)c([N+](=O)[O-])c1 ZINC000743637066 699920984 /nfs/dbraw/zinc/92/09/84/699920984.db2.gz KXAUUXFULZNAOE-GHMZBOCLSA-N 1 0 306.366 1.698 20 5 DDBDRO COC(=O)/C=C/c1ccc(NCC[NH+]2CCC2)c([N+](=O)[O-])c1 ZINC000751941703 700328356 /nfs/dbraw/zinc/32/83/56/700328356.db2.gz WZOVHSXXRIQOSO-GQCTYLIASA-N 1 0 305.334 1.899 20 5 DDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC[C@@H]([NH+](C)C)CC1 ZINC000758209298 700689946 /nfs/dbraw/zinc/68/99/46/700689946.db2.gz YDLIYUMGZQGLSA-GFCCVEGCSA-N 1 0 320.393 1.875 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[N@H+](C)[C@H](C)C1 ZINC000761077600 700841018 /nfs/dbraw/zinc/84/10/18/700841018.db2.gz NDZVILHYIJNDOK-GFCCVEGCSA-N 1 0 306.366 1.478 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](CCO)C1CC1 ZINC000763071024 700923996 /nfs/dbraw/zinc/92/39/96/700923996.db2.gz XISYGDBFEVXBGC-AWEZNQCLSA-N 1 0 321.377 1.982 20 5 DDBDRO C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000809732646 701683721 /nfs/dbraw/zinc/68/37/21/701683721.db2.gz INMLHECDSNINDW-HFBAOOFYSA-N 1 0 305.378 1.701 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCC[N@@H+]2CCC[C@@H]2C)n1 ZINC000804520669 701197244 /nfs/dbraw/zinc/19/72/44/701197244.db2.gz HMIGSVRXFSOQEZ-JTQLQIEISA-N 1 0 308.338 1.673 20 5 DDBDRO CC[C@H]1C[N@H+](C)CCCN1C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000807987420 701493546 /nfs/dbraw/zinc/49/35/46/701493546.db2.gz LHVZBCVGBFYGEC-JTQLQIEISA-N 1 0 324.356 1.872 20 5 DDBDRO Cc1nnc([C@@H]2CC[N@H+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)C2)[nH]1 ZINC000839658333 701769030 /nfs/dbraw/zinc/76/90/30/701769030.db2.gz FAMHGQDRLDNQOP-TZMCWYRMSA-N 1 0 317.349 1.544 20 5 DDBDRO Cc1cncc([N+](=O)[O-])c1NC(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000879214390 706616819 /nfs/dbraw/zinc/61/68/19/706616819.db2.gz QSVROAPUFFUICX-NEPJUHHUSA-N 1 0 319.365 1.278 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000866132719 706628459 /nfs/dbraw/zinc/62/84/59/706628459.db2.gz TVTLEVDAEFRDHK-UHFFFAOYSA-N 1 0 308.382 1.926 20 5 DDBDRO C[C@](CO)([NH2+]C[C@@H]1COC(C)(C)O1)c1cccc([N+](=O)[O-])c1 ZINC000879273323 706636510 /nfs/dbraw/zinc/63/65/10/706636510.db2.gz TZGMXRNUMWFPML-UKRRQHHQSA-N 1 0 310.350 1.543 20 5 DDBDRO CC[C@H]1C[N@H+](C)CCN1C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000868584028 702211600 /nfs/dbraw/zinc/21/16/00/702211600.db2.gz BCDZIUNNFORHGJ-LBPRGKRZSA-N 1 0 309.341 1.829 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CC[C@@](O)(C(F)F)C2)c1 ZINC000831175131 706649951 /nfs/dbraw/zinc/64/99/51/706649951.db2.gz FVKYSZQPRMFPJK-AAEUAGOBSA-N 1 0 302.277 1.330 20 5 DDBDRO C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000816954722 702238775 /nfs/dbraw/zinc/23/87/75/702238775.db2.gz JJNZEHZHEDHZFL-TVQRCGJNSA-N 1 0 320.305 1.279 20 5 DDBDRO CC[NH+](CC)CC(C)(C)COC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000813151571 702305750 /nfs/dbraw/zinc/30/57/50/702305750.db2.gz ONRKMVHSWVSYIK-UHFFFAOYSA-N 1 0 312.370 1.853 20 5 DDBDRO Cc1cnc(N(C)CC[NH+]2CC3(C2)CCOCC3)c([N+](=O)[O-])c1 ZINC000866256668 706658810 /nfs/dbraw/zinc/65/88/10/706658810.db2.gz BYGZDBVDAANYHI-UHFFFAOYSA-N 1 0 320.393 1.847 20 5 DDBDRO [NH3+]CCN(CCO)C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000841103214 702347859 /nfs/dbraw/zinc/34/78/59/702347859.db2.gz NDZLXSPLIWUWMF-UHFFFAOYSA-N 1 0 302.718 1.033 20 5 DDBDRO C[C@@H]1CC[N@H+](CCNC(=O)Cc2cccc(F)c2[N+](=O)[O-])C1 ZINC000866271484 706662159 /nfs/dbraw/zinc/66/21/59/706662159.db2.gz MCNYLOYVFFBFGW-LLVKDONJSA-N 1 0 309.341 1.734 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCNC3CC3)CC2)cc1 ZINC000817953556 702534995 /nfs/dbraw/zinc/53/49/95/702534995.db2.gz NZLKZZMJTSJKAZ-UHFFFAOYSA-N 1 0 304.394 1.905 20 5 DDBDRO COC(=O)C[C@](C)([NH2+]CCn1c(C)ncc1[N+](=O)[O-])C1CC1 ZINC000879443304 706680859 /nfs/dbraw/zinc/68/08/59/706680859.db2.gz LYSHQBKICJZEDJ-AWEZNQCLSA-N 1 0 310.354 1.421 20 5 DDBDRO COC(=O)CC1CC([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000818332339 702637165 /nfs/dbraw/zinc/63/71/65/702637165.db2.gz LVLCMOWBKYLFNQ-OVGLSYRBSA-N 1 0 308.334 1.560 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]Cc2ccccc2CO)c1 ZINC000843070600 702813068 /nfs/dbraw/zinc/81/30/68/702813068.db2.gz VSRDXSDCZPKWGP-MRXNPFEDSA-N 1 0 302.330 1.910 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H](CO)[C@H]2CCCOC2)cc1 ZINC000843116603 702822167 /nfs/dbraw/zinc/82/21/67/702822167.db2.gz QYMHUGFSOZLKIH-NWANDNLSSA-N 1 0 310.350 1.005 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000843304860 702856746 /nfs/dbraw/zinc/85/67/46/702856746.db2.gz QNPDGUJZAVJXNB-SNVBAGLBSA-N 1 0 308.294 1.293 20 5 DDBDRO C[C@@H](NC(=O)CO[C@@H]1CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000843380907 702870637 /nfs/dbraw/zinc/87/06/37/702870637.db2.gz GZILFYYWLKYMAY-BXUZGUMPSA-N 1 0 307.350 1.541 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)NC2(C)CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000843470769 702888394 /nfs/dbraw/zinc/88/83/94/702888394.db2.gz CBOPMTMDMLSJKY-UHFFFAOYSA-N 1 0 322.321 1.683 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CC[NH2+][C@@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000843473193 702888762 /nfs/dbraw/zinc/88/87/62/702888762.db2.gz IOAHMRQRIDDVGI-VHSXEESVSA-N 1 0 322.321 1.634 20 5 DDBDRO Cc1cc(C(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)c(N)c([N+](=O)[O-])c1 ZINC000843472980 702888893 /nfs/dbraw/zinc/88/88/93/702888893.db2.gz DRXZOHPLZJWHPM-INIZCTEOSA-N 1 0 318.377 1.701 20 5 DDBDRO C[N@@H+]1CC[C@H]2CN(CC(=O)Nc3ccccc3[N+](=O)[O-])CC[C@H]21 ZINC000879576432 706724998 /nfs/dbraw/zinc/72/49/98/706724998.db2.gz SCGJMWIDCQPDKF-GXTWGEPZSA-N 1 0 318.377 1.559 20 5 DDBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCS(=O)(=O)CC1CC1 ZINC000848536874 703561840 /nfs/dbraw/zinc/56/18/40/703561840.db2.gz XTHYBSRCBSNJRY-CQSZACIVSA-N 1 0 324.402 1.997 20 5 DDBDRO C[NH+](C)CCCNC(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000848579603 703564987 /nfs/dbraw/zinc/56/49/87/703564987.db2.gz JEWLVYAAFMIVLA-UHFFFAOYSA-N 1 0 317.292 1.634 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(Cc2noc(CC[NH2+]C3CC3)n2)c1 ZINC000848628545 703570027 /nfs/dbraw/zinc/57/00/27/703570027.db2.gz QUDOMBIHKHNHJZ-UHFFFAOYSA-N 1 0 318.333 1.872 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000866719765 706775289 /nfs/dbraw/zinc/77/52/89/706775289.db2.gz CXEZKNNSBATZOY-CABCVRRESA-N 1 0 318.377 1.668 20 5 DDBDRO O=C(NCCC[C@H]1CCC[NH2+]1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000818594715 703933502 /nfs/dbraw/zinc/93/35/02/703933502.db2.gz MUTPFNNRQZLALU-LLVKDONJSA-N 1 0 322.321 1.765 20 5 DDBDRO C[C@H]([C@H](C)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)N1CCOCC1 ZINC000819019828 704053080 /nfs/dbraw/zinc/05/30/80/704053080.db2.gz CXJCRDNFOZAUAA-WOSRLPQWSA-N 1 0 323.393 1.327 20 5 DDBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@H](O)Cn2cccn2)c1 ZINC000819149439 704076492 /nfs/dbraw/zinc/07/64/92/704076492.db2.gz JSLQPXAVMNDLCT-LBPRGKRZSA-N 1 0 310.741 1.595 20 5 DDBDRO CCC(=O)N1CC[C@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819163921 704079082 /nfs/dbraw/zinc/07/90/82/704079082.db2.gz OELDRIIIXOLLKQ-JSGCOSHPSA-N 1 0 307.350 1.229 20 5 DDBDRO Cc1cc(F)ccc1[C@H](O)C[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000819177465 704082055 /nfs/dbraw/zinc/08/20/55/704082055.db2.gz TWCQAHJTYWXWHS-CQSZACIVSA-N 1 0 308.313 1.562 20 5 DDBDRO O=[N+]([O-])c1cccc(CC[NH2+]C[C@@H](O)c2ccc(F)cn2)c1 ZINC000819189636 704083986 /nfs/dbraw/zinc/08/39/86/704083986.db2.gz CWRNZGVZKQZSOI-OAHLLOKOSA-N 1 0 305.309 1.995 20 5 DDBDRO CC(C)C(=O)NCCC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819189201 704084220 /nfs/dbraw/zinc/08/42/20/704084220.db2.gz QHSNQSUJMMMEJN-CQSZACIVSA-N 1 0 309.366 1.380 20 5 DDBDRO COc1ccc(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)nc1 ZINC000819266814 704097644 /nfs/dbraw/zinc/09/76/44/704097644.db2.gz PEQKIDUTOGWAAK-OAHLLOKOSA-N 1 0 303.318 1.822 20 5 DDBDRO CC(C)(NC(=O)C1=NO[C@H](C[NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC000852849804 704147444 /nfs/dbraw/zinc/14/74/44/704147444.db2.gz KJZLWFLMRWGCNP-NSHDSACASA-N 1 0 306.322 1.050 20 5 DDBDRO O=C(C=C1CC[NH2+]CC1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000852888125 704162095 /nfs/dbraw/zinc/16/20/95/704162095.db2.gz FRIQHPGBCJBCKY-UHFFFAOYSA-N 1 0 319.365 1.265 20 5 DDBDRO CC(C)[C@H]([NH3+])CCNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000852916657 704171962 /nfs/dbraw/zinc/17/19/62/704171962.db2.gz CNMDNHORLDNIAQ-CYBMUJFWSA-N 1 0 308.382 1.764 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3CC[C@H](O)C3)CC2)c(F)c1 ZINC000853966108 704341819 /nfs/dbraw/zinc/34/18/19/704341819.db2.gz OSYGOKOHBUXAAJ-ZDUSSCGKSA-N 1 0 309.341 1.769 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@@H](C)[C@H]1CN(C)CCO1 ZINC000821091293 704370928 /nfs/dbraw/zinc/37/09/28/704370928.db2.gz AQQQGTGLIQSUEJ-GXTWGEPZSA-N 1 0 321.377 1.661 20 5 DDBDRO COC(=O)c1ccnc(NCC[N@@H+]2CCC[C@@H]2C)c1[N+](=O)[O-] ZINC000856733289 704535867 /nfs/dbraw/zinc/53/58/67/704535867.db2.gz WCRYVEJSIIWMFC-JTQLQIEISA-N 1 0 308.338 1.673 20 5 DDBDRO CC(C)(CC[NH3+])NC(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857766159 704622327 /nfs/dbraw/zinc/62/23/27/704622327.db2.gz KRDBSKSCJXBCSC-UHFFFAOYSA-N 1 0 317.292 1.810 20 5 DDBDRO Cc1cc(C)c(S(=O)(=O)N(C)C[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000858640349 704738306 /nfs/dbraw/zinc/73/83/06/704738306.db2.gz NIBKNYOJPMOPHW-JTQLQIEISA-N 1 0 301.368 1.179 20 5 DDBDRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000874837365 705193740 /nfs/dbraw/zinc/19/37/40/705193740.db2.gz IGUMGLORBWHUKB-OLZOCXBDSA-N 1 0 321.381 1.222 20 5 DDBDRO O=[N+]([O-])c1ccc2oc(-c3nc(N4CC[NH2+]CC4)no3)cc2c1 ZINC000823310107 705203250 /nfs/dbraw/zinc/20/32/50/705203250.db2.gz SJVNIQKIVJNCQO-UHFFFAOYSA-N 1 0 315.289 1.801 20 5 DDBDRO CCC(C)(C)[NH+]1CCN(C(=O)Cn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000824291855 705419518 /nfs/dbraw/zinc/41/95/18/705419518.db2.gz JPWCTIZNHYOORP-UHFFFAOYSA-N 1 0 323.397 1.433 20 5 DDBDRO CO[C@H]1C[N@H+](C)[C@](C)(COC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000861338951 705433142 /nfs/dbraw/zinc/43/31/42/705433142.db2.gz KMKMRHBCANVRCQ-HIFRSBDPSA-N 1 0 308.334 1.861 20 5 DDBDRO [NH3+]C[C@H]1CC[C@H](NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000825196340 705621903 /nfs/dbraw/zinc/62/19/03/705621903.db2.gz DIXBYPHIXFPBDG-JQWIXIFHSA-N 1 0 317.349 1.188 20 5 DDBDRO Cc1ccc(CNC(=O)C[N@@H+](C)[C@H]2CCSC2)cc1[N+](=O)[O-] ZINC000825648660 705709081 /nfs/dbraw/zinc/70/90/81/705709081.db2.gz WZRFESVFCFFVAD-ZDUSSCGKSA-N 1 0 323.418 1.957 20 5 DDBDRO C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000876611538 705783408 /nfs/dbraw/zinc/78/34/08/705783408.db2.gz IZTQACTWTTYEPR-LAPROLRISA-N 1 0 319.361 1.631 20 5 DDBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000827035609 705915922 /nfs/dbraw/zinc/91/59/22/705915922.db2.gz RPHTYFSOPSWULA-WKPIXPDZSA-N 1 0 319.361 1.227 20 5 DDBDRO CN(C)c1ncccc1C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000876928485 705927714 /nfs/dbraw/zinc/92/77/14/705927714.db2.gz GPPMODCDCWBJJK-UHFFFAOYSA-N 1 0 316.365 1.746 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3c(F)cccc3[N+](=O)[O-])CC[C@H]21 ZINC000827216576 705951989 /nfs/dbraw/zinc/95/19/89/705951989.db2.gz ASGRMCVTMMEIEB-ZYHUDNBSSA-N 1 0 307.325 1.900 20 5 DDBDRO C[C@H]([NH2+][C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CC1(F)F ZINC000877037138 705968008 /nfs/dbraw/zinc/96/80/08/705968008.db2.gz LDQMVCNJEAUDBP-HWNAMQAFSA-N 1 0 316.304 1.622 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000827373158 705988139 /nfs/dbraw/zinc/98/81/39/705988139.db2.gz GWWIERAYORVNBO-HIFRSBDPSA-N 1 0 303.362 1.690 20 5 DDBDRO Cn1ccc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)n1 ZINC000877125663 705991290 /nfs/dbraw/zinc/99/12/90/705991290.db2.gz RWBQQNXDYRHMLH-UHFFFAOYSA-N 1 0 316.365 1.482 20 5 DDBDRO CN(CC(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21)c1ccccc1[N+](=O)[O-] ZINC000877278994 706046240 /nfs/dbraw/zinc/04/62/40/706046240.db2.gz QECOLLZTTLTRAR-QWHCGFSZSA-N 1 0 318.377 1.384 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCCNc1cc[nH+]cc1 ZINC000878337765 706364756 /nfs/dbraw/zinc/36/47/56/706364756.db2.gz HMBGEXKIVYWLSH-UHFFFAOYSA-N 1 0 314.345 1.870 20 5 DDBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000830015878 706438010 /nfs/dbraw/zinc/43/80/10/706438010.db2.gz GFDYBIMLQOTUNX-OTYXRUKQSA-N 1 0 307.325 1.946 20 5 DDBDRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000836944580 707552367 /nfs/dbraw/zinc/55/23/67/707552367.db2.gz BAIFWSWFUAMCEW-HIFRSBDPSA-N 1 0 321.377 1.571 20 5 DDBDRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000836947563 707552884 /nfs/dbraw/zinc/55/28/84/707552884.db2.gz IZTRXDGKUCYRCE-SNVBAGLBSA-N 1 0 324.356 1.872 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)[NH2+][C@H]2CCCSC2)cc1 ZINC000873193921 707763071 /nfs/dbraw/zinc/76/30/71/707763071.db2.gz UAAUBVFBLREKEL-IACUBPJLSA-N 1 0 312.391 1.474 20 5 DDBDRO COc1cc(C(=O)OCCC[NH+](C)C)c([N+](=O)[O-])cc1F ZINC000838053755 707822252 /nfs/dbraw/zinc/82/22/52/707822252.db2.gz JGCKKMMZTFKMEN-UHFFFAOYSA-N 1 0 300.286 1.851 20 5 DDBDRO C[C@@H]1CCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CCO1 ZINC000896586216 708089825 /nfs/dbraw/zinc/08/98/25/708089825.db2.gz XUJGMIAMPBDBEA-LLVKDONJSA-N 1 0 308.334 1.977 20 5 DDBDRO C[NH2+][C@@H](CC(C)C)C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000884099373 708138241 /nfs/dbraw/zinc/13/82/41/708138241.db2.gz LYPFYYZXJHJLPV-LBPRGKRZSA-N 1 0 309.366 1.854 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)c1C ZINC000884290758 708228816 /nfs/dbraw/zinc/22/88/16/708228816.db2.gz IOTWZYBHDMRYPD-OLZOCXBDSA-N 1 0 303.362 1.893 20 5 DDBDRO Cc1cccc(N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)c1[N+](=O)[O-] ZINC000897220931 708258650 /nfs/dbraw/zinc/25/86/50/708258650.db2.gz ZSKMHWBJKIKQDQ-ZIAGYGMSSA-N 1 0 305.378 1.939 20 5 DDBDRO Cc1cnc(N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)c([N+](=O)[O-])c1 ZINC000897221610 708259273 /nfs/dbraw/zinc/25/92/73/708259273.db2.gz NSDXAKLRZJVJLE-QWHCGFSZSA-N 1 0 306.366 1.334 20 5 DDBDRO Cc1cc(N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)ccc1[N+](=O)[O-] ZINC000897222104 708260101 /nfs/dbraw/zinc/26/01/01/708260101.db2.gz RPKBHMHOVNLVHC-HZPDHXFCSA-N 1 0 305.378 1.939 20 5 DDBDRO Cn1nnc2c1C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)CC2 ZINC000897347570 708300068 /nfs/dbraw/zinc/30/00/68/708300068.db2.gz PCFOXCZPEDNUBM-LBPRGKRZSA-N 1 0 301.350 1.413 20 5 DDBDRO C[N@H+](CCO)CCNc1cccc(Br)c1[N+](=O)[O-] ZINC000884825366 708388083 /nfs/dbraw/zinc/38/80/83/708388083.db2.gz SEMOTFPKLJLFKR-UHFFFAOYSA-N 1 0 318.171 1.693 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(C)CC[N@H+](C)CCO ZINC000912598860 713041910 /nfs/dbraw/zinc/04/19/10/713041910.db2.gz IKBZIENLKVJRRQ-UHFFFAOYSA-N 1 0 309.366 1.208 20 5 DDBDRO C[C@@H](C(=O)N(C)CC[N@H+](C)CCO)c1cccc([N+](=O)[O-])c1 ZINC000912604634 713044467 /nfs/dbraw/zinc/04/44/67/713044467.db2.gz LZFASAJDFLGSFM-GFCCVEGCSA-N 1 0 309.366 1.081 20 5 DDBDRO O=[N+]([O-])c1ncccc1CN1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000886188161 708711990 /nfs/dbraw/zinc/71/19/90/708711990.db2.gz MENSLUBVGYBHGT-OAHLLOKOSA-N 1 0 320.393 1.677 20 5 DDBDRO COc1ccc(C[NH2+][C@@H](CO)C[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000886226912 708719606 /nfs/dbraw/zinc/71/96/06/708719606.db2.gz TWOYEDMONJSYHR-OLZOCXBDSA-N 1 0 310.350 1.623 20 5 DDBDRO CCN(CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000886858377 708867202 /nfs/dbraw/zinc/86/72/02/708867202.db2.gz YOWZGTVVTOJCLD-LLVKDONJSA-N 1 0 322.365 1.226 20 5 DDBDRO CC[NH+](CC)CCNC(=O)c1ccc(OCC[N+](=O)[O-])cc1 ZINC000899231281 709028153 /nfs/dbraw/zinc/02/81/53/709028153.db2.gz PPIXGPWOWQOBHV-UHFFFAOYSA-N 1 0 309.366 1.414 20 5 DDBDRO O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CC[C@H]([NH+]2CCC2)C1 ZINC000912902607 713118267 /nfs/dbraw/zinc/11/82/67/713118267.db2.gz MKYOYTBUYXJNQT-ZDUSSCGKSA-N 1 0 307.325 1.583 20 5 DDBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000891446117 710203466 /nfs/dbraw/zinc/20/34/66/710203466.db2.gz LZCRJVVLSYBFHV-KBPBESRZSA-N 1 0 304.350 1.631 20 5 DDBDRO CCN(C(=O)NCc1cccc([N+](=O)[O-])c1C)[C@H]1CC[NH2+]C1 ZINC000891848583 710308552 /nfs/dbraw/zinc/30/85/52/710308552.db2.gz IEULPKNASQCOIN-ZDUSSCGKSA-N 1 0 306.366 1.797 20 5 DDBDRO O=[N+]([O-])c1cc(Cl)ccc1CNC[C@@H](O)C[NH+]1CCCC1 ZINC000892670650 710479391 /nfs/dbraw/zinc/47/93/91/710479391.db2.gz VYALCFVSKSOVOC-CYBMUJFWSA-N 1 0 313.785 1.795 20 5 DDBDRO COc1c(O)ccc(C[NH2+][C@H]2CN(C3CC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000893133768 710559774 /nfs/dbraw/zinc/55/97/74/710559774.db2.gz COJGWQMCISCXIG-MFKMUULPSA-N 1 0 321.377 1.881 20 5 DDBDRO C[C@@H]1[C@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000928444674 713198722 /nfs/dbraw/zinc/19/87/22/713198722.db2.gz LQNYSNGWTNEZQQ-VXGBXAGGSA-N 1 0 307.350 1.573 20 5 DDBDRO C[N@H+]1C[C@H]2[C@@H](CCN2c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1 ZINC000893939081 710893031 /nfs/dbraw/zinc/89/30/31/710893031.db2.gz HFDVBUMDOKJOLS-NHYWBVRUSA-N 1 0 316.361 1.620 20 5 DDBDRO CCN1C[C@H]([NH2+][C@@H](C)c2cc(OC)cc([N+](=O)[O-])c2)CC1=O ZINC000903177748 711056401 /nfs/dbraw/zinc/05/64/01/711056401.db2.gz AYIPMWBQVXSKPX-CMPLNLGQSA-N 1 0 307.350 1.875 20 5 DDBDRO C[C@H](N[C@@H]1CC[NH2+]C12CCC2)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000903466616 711135270 /nfs/dbraw/zinc/13/52/70/711135270.db2.gz XFVNFXFQSHJABF-SMDDNHRTSA-N 1 0 318.377 1.796 20 5 DDBDRO CN(C(=O)CN[C@H]1CC[NH2+]C12CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000903468460 711136160 /nfs/dbraw/zinc/13/61/60/711136160.db2.gz LHZVUMWJLBLINN-AWEZNQCLSA-N 1 0 318.377 1.432 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@@H]2CC[N@H+]2C)c1 ZINC000928569237 713232251 /nfs/dbraw/zinc/23/22/51/713232251.db2.gz LSBCDFVBIXYUSO-LBPRGKRZSA-N 1 0 307.350 1.492 20 5 DDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@]23CC[NH2+]C3)s1 ZINC000903597237 711218121 /nfs/dbraw/zinc/21/81/21/711218121.db2.gz WDCCSHKRRHLTLI-NSHDSACASA-N 1 0 317.392 1.173 20 5 DDBDRO CC[C@@H]1[C@H](CO)CC[N@@H+]1Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000894686700 711238212 /nfs/dbraw/zinc/23/82/12/711238212.db2.gz ARUBDDFGDXGKMP-NWDGAFQWSA-N 1 0 310.350 1.902 20 5 DDBDRO C[NH+](C)CC1(O)CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000894954425 711336598 /nfs/dbraw/zinc/33/65/98/711336598.db2.gz CKKJSQMKNZBFHQ-UHFFFAOYSA-N 1 0 319.365 1.364 20 5 DDBDRO C[NH+](C)C[C@@]1(O)CCN(c2nc3c(cc2[N+](=O)[O-])CCCC3)C1 ZINC000895009914 711365533 /nfs/dbraw/zinc/36/55/33/711365533.db2.gz HLAWWDWCDAGSIX-INIZCTEOSA-N 1 0 320.393 1.371 20 5 DDBDRO C[NH+](C)C[C@@]1(O)CCN(c2ncc([N+](=O)[O-])c3ccccc32)C1 ZINC000895010873 711366149 /nfs/dbraw/zinc/36/61/49/711366149.db2.gz XCOFYQIAFOJVQW-INIZCTEOSA-N 1 0 316.361 1.646 20 5 DDBDRO CCC[C@H]1CN(c2ncc(C(=O)OC)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000895057193 711390953 /nfs/dbraw/zinc/39/09/53/711390953.db2.gz FFXNDJLMELTPMB-NSHDSACASA-N 1 0 308.338 1.355 20 5 DDBDRO C[C@H](CCNCc1cc2c(cc1[N+](=O)[O-])OCCO2)[NH+](C)C ZINC000895297399 711478771 /nfs/dbraw/zinc/47/87/71/711478771.db2.gz LRKBUBQBHNQGRM-LLVKDONJSA-N 1 0 309.366 1.796 20 5 DDBDRO C[N@@H+]1CC[C@@H]1CNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000895772268 711602423 /nfs/dbraw/zinc/60/24/23/711602423.db2.gz ZSUHNHSOGRWFFC-CYBMUJFWSA-N 1 0 318.377 1.947 20 5 DDBDRO Cc1ccc(C[NH2+][C@H](C)[C@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000895832359 711620121 /nfs/dbraw/zinc/62/01/21/711620121.db2.gz GFCAZYUHWCIHIK-YPMHNXCESA-N 1 0 312.391 1.816 20 5 DDBDRO COC(=O)COc1ccc(C[N@H+](C)CCCF)cc1[N+](=O)[O-] ZINC000895895729 711639748 /nfs/dbraw/zinc/63/97/48/711639748.db2.gz DTUYSNHDZXTGJE-UHFFFAOYSA-N 1 0 314.313 1.938 20 5 DDBDRO Cc1ccc(CNC(=O)C2CN(C)CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000913754077 713295799 /nfs/dbraw/zinc/29/57/99/713295799.db2.gz GBWKVAHZDSCSKN-UHFFFAOYSA-N 1 0 320.393 1.013 20 5 DDBDRO CN1C[C@H](CC[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1=O ZINC000905533480 712068031 /nfs/dbraw/zinc/06/80/31/712068031.db2.gz PYSXEGYJMJIDSM-RISCZKNCSA-N 1 0 307.350 1.086 20 5 DDBDRO C[C@]1(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CCCCO1 ZINC000905587024 712087042 /nfs/dbraw/zinc/08/70/42/712087042.db2.gz GQXLKDZKPQWISC-XJKSGUPXSA-N 1 0 324.377 1.883 20 5 DDBDRO [NH3+]C[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000906628825 712374202 /nfs/dbraw/zinc/37/42/02/712374202.db2.gz XGXJDPXPTIMCQD-GLQYFDAESA-N 1 0 303.362 1.896 20 5 DDBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC000908123561 712693413 /nfs/dbraw/zinc/69/34/13/712693413.db2.gz CUROJBWGSDJAMX-BBRMVZONSA-N 1 0 321.377 1.051 20 5 DDBDRO COc1ccc(CNC(=O)NC[C@H]2CC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000914300116 713372983 /nfs/dbraw/zinc/37/29/83/713372983.db2.gz KDRVQOSGVGNCPU-LLVKDONJSA-N 1 0 308.338 1.107 20 5 DDBDRO COCC[N@H+](C)CCNC(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000916330400 713451272 /nfs/dbraw/zinc/45/12/72/713451272.db2.gz IBLYQISFLGZYIM-GFCCVEGCSA-N 1 0 324.381 1.533 20 5 DDBDRO C[C@@H]1[C@@H](NC(=O)NCCc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000921681049 713841278 /nfs/dbraw/zinc/84/12/78/713841278.db2.gz PPKIZLWIFJQNTH-RISCZKNCSA-N 1 0 306.366 1.529 20 5 DDBDRO O=[N+]([O-])c1ccc(OCC[NH2+]Cc2cnn(CCF)c2)cc1 ZINC000921722051 713854010 /nfs/dbraw/zinc/85/40/10/713854010.db2.gz PNFBPIKABOBRNU-UHFFFAOYSA-N 1 0 308.313 1.929 20 5 DDBDRO Cn1nnc2c1C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)CC2 ZINC000922994822 714207409 /nfs/dbraw/zinc/20/74/09/714207409.db2.gz SQTVJXUTSAYQAW-JTQLQIEISA-N 1 0 305.313 1.510 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)N2[C@@H]3CC[C@H]2C[N@H+](C)CC3)c1[N+](=O)[O-] ZINC000923278981 714295249 /nfs/dbraw/zinc/29/52/49/714295249.db2.gz ZLXCUFZLTLQXQN-MNOVXSKESA-N 1 0 321.381 1.750 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000923294162 714299915 /nfs/dbraw/zinc/29/99/15/714299915.db2.gz DJELCRGRRWTWEU-NWDGAFQWSA-N 1 0 321.381 1.222 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)CN2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000923356470 714325268 /nfs/dbraw/zinc/32/52/68/714325268.db2.gz RXWSEKQORSHOLR-JKSUJKDBSA-N 1 0 305.378 1.704 20 5 DDBDRO C[C@H]1COC[C@@H]1[NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000932486317 714343250 /nfs/dbraw/zinc/34/32/50/714343250.db2.gz CQJYRLDFYXUJJC-JQWIXIFHSA-N 1 0 321.333 1.517 20 5 DDBDRO C[C@@H]1COC[C@H]1[NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000932493552 714345821 /nfs/dbraw/zinc/34/58/21/714345821.db2.gz HUTLBEAXRAVMAU-LDYMZIIASA-N 1 0 313.741 1.811 20 5 DDBDRO [NH3+]CCN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC(F)(F)F ZINC000923420304 714350560 /nfs/dbraw/zinc/35/05/60/714350560.db2.gz HRZXSXJUBQYPAM-LLVKDONJSA-N 1 0 307.272 1.451 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)CN[C@@H]2CC[NH2+]C23CCCC3)c1 ZINC000923428768 714353232 /nfs/dbraw/zinc/35/32/32/714353232.db2.gz QYNFWHRMOKHZJD-HUUCEWRRSA-N 1 0 305.378 1.893 20 5 DDBDRO CCOC(=O)[C@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000932647227 714374671 /nfs/dbraw/zinc/37/46/71/714374671.db2.gz NJGYNXUGYHKWID-LBPRGKRZSA-N 1 0 308.334 1.859 20 5 DDBDRO C[NH+]1CCC(OCC(=O)NCCc2ccccc2[N+](=O)[O-])CC1 ZINC000933623815 714633466 /nfs/dbraw/zinc/63/34/66/714633466.db2.gz NNJKCQMYZTWOFS-UHFFFAOYSA-N 1 0 321.377 1.364 20 5 DDBDRO CC[N@H+](CCO)CCNC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000935429755 715053178 /nfs/dbraw/zinc/05/31/78/715053178.db2.gz FJEUQCISPZCDKZ-LSDHHAIUSA-N 1 0 321.377 1.129 20 5 DDBDRO CCCN(CC[NH+]1CCCC1)C(=O)Cn1c(C)ncc1[N+](=O)[O-] ZINC000935936209 715138999 /nfs/dbraw/zinc/13/89/99/715138999.db2.gz MPWLHVMGYIDAPO-UHFFFAOYSA-N 1 0 323.397 1.434 20 5 DDBDRO C[N@@H+]1CCO[C@H]2CN(c3ccc4ccc([N+](=O)[O-])cc4n3)C[C@@H]21 ZINC001164667042 719385328 /nfs/dbraw/zinc/38/53/28/719385328.db2.gz MNXYLSYULDGMCU-GJZGRUSLSA-N 1 0 314.345 1.662 20 5 DDBDRO O=[N+]([O-])c1cc(F)cnc1N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001164965366 722069250 /nfs/dbraw/zinc/06/92/50/722069250.db2.gz JTBORYFAKWUHDH-BETUJISGSA-N 1 0 322.340 1.428 20 5 DDBDRO CC(C)NC(=O)c1ccc(N2C[C@@H](C)[NH2+][C@@H](C)C2)c([N+](=O)[O-])c1 ZINC001120866799 782196037 /nfs/dbraw/zinc/19/60/37/782196037.db2.gz NZHKUDOKYIVLTR-TXEJJXNPSA-N 1 0 320.393 1.920 20 5 DDBDRO Cc1ncoc1C(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001125317766 732715835 /nfs/dbraw/zinc/71/58/35/732715835.db2.gz XWKKFSQKEPOZQD-UHFFFAOYSA-N 1 0 304.306 1.411 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(OC(C)C)cc1-n1nnc(CC[NH3+])n1 ZINC001167793241 738650835 /nfs/dbraw/zinc/65/08/35/738650835.db2.gz XFWJVJBMJOZSOV-UHFFFAOYSA-N 1 0 306.326 1.167 20 5 DDBDRO Cc1ccn(C)c1C(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001126256222 738777579 /nfs/dbraw/zinc/77/75/79/738777579.db2.gz YAUBQWVATRGMGN-UHFFFAOYSA-N 1 0 316.361 1.761 20 5 DDBDRO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3cccc([N+](=O)[O-])c3)C[C@H]21)C(F)F ZINC001025643783 736807575 /nfs/dbraw/zinc/80/75/75/736807575.db2.gz ZOMZMLUNZBEJET-GDNZZTSVSA-N 1 0 311.288 1.406 20 5 DDBDRO O=[N+]([O-])c1c2[nH]cnc2ccc1NCC[NH+]1CCSCC1 ZINC001167837648 738998423 /nfs/dbraw/zinc/99/84/23/738998423.db2.gz UXSDUKHOAXMKBI-UHFFFAOYSA-N 1 0 307.379 1.932 20 5 DDBDRO COCC1(CC(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001126978873 743456951 /nfs/dbraw/zinc/45/69/51/743456951.db2.gz CLIMGDYRAWVAPP-UHFFFAOYSA-N 1 0 321.377 1.617 20 5 DDBDRO Cn1[nH]c(=O)c2c1C[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC001196952426 747018662 /nfs/dbraw/zinc/01/86/62/747018662.db2.gz HDTLOXMREJVLPU-AWEZNQCLSA-N 1 0 318.333 1.126 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2CCOCC23CCCC3)c1 ZINC001198755497 747599741 /nfs/dbraw/zinc/59/97/41/747599741.db2.gz ZSFFWUBOAANLSY-KGLIPLIRSA-N 1 0 324.381 1.091 20 5 DDBDRO Cc1cc(CC(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])no1 ZINC001124999827 748769673 /nfs/dbraw/zinc/76/96/73/748769673.db2.gz ZTBHOILKTCFCHS-UHFFFAOYSA-N 1 0 318.333 1.340 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])cc1-n1cc2c(n1)CC[C@H]([NH3+])C2 ZINC001168820817 762051035 /nfs/dbraw/zinc/05/10/35/762051035.db2.gz MBSBAWDSPKIPFX-JTQLQIEISA-N 1 0 316.317 1.383 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])cc1-n1cc2c(n1)CC[C@@H]([NH3+])C2 ZINC001168820818 762051807 /nfs/dbraw/zinc/05/18/07/762051807.db2.gz MBSBAWDSPKIPFX-SNVBAGLBSA-N 1 0 316.317 1.383 20 5 DDBDRO [NH3+][C@@H]1CCc2nn(-c3ccc4nsnc4c3[N+](=O)[O-])cc2C1 ZINC001168822803 762054778 /nfs/dbraw/zinc/05/47/78/762054778.db2.gz XGVDMPISLHEXMV-MRVPVSSYSA-N 1 0 316.346 1.601 20 5 DDBDRO CC(C)(C)CC[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001205224374 750971238 /nfs/dbraw/zinc/97/12/38/750971238.db2.gz QUNZHMVPLNVFHD-ZIAGYGMSSA-N 1 0 311.426 1.916 20 5 DDBDRO C[C@@H](C[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)NC(=O)OC(C)(C)C ZINC001168963199 762157743 /nfs/dbraw/zinc/15/77/43/762157743.db2.gz OQFYANNPBRZBQK-SRVKXCTJSA-N 1 0 301.387 1.935 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C2CCN(c3ncccn3)CC2)C1 ZINC001168965811 762157777 /nfs/dbraw/zinc/15/77/77/762157777.db2.gz CNYLBCGBUAOOOA-TZMCWYRMSA-N 1 0 305.382 1.480 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCN(Cc3cccnc3)CC2)C1 ZINC001169009701 762178025 /nfs/dbraw/zinc/17/80/25/762178025.db2.gz XHNXMEIAZKBSRF-ZBFHGGJFSA-N 1 0 304.394 1.645 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCC(Oc3cnccn3)CC2)C1 ZINC001169039846 762193549 /nfs/dbraw/zinc/19/35/49/762193549.db2.gz UUQDHQBTSANTLN-CHWSQXEVSA-N 1 0 306.366 1.765 20 5 DDBDRO CCN1CCC2(CC[NH+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)C1=O ZINC001169046356 762204346 /nfs/dbraw/zinc/20/43/46/762204346.db2.gz KYGBJOQIKMRWJD-UONOGXRCSA-N 1 0 309.410 1.766 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCC[C@@H](Oc3ncccn3)C2)C1 ZINC001169053130 762207830 /nfs/dbraw/zinc/20/78/30/762207830.db2.gz HQHGIWFPRMVVCW-HZSPNIEDSA-N 1 0 306.366 1.765 20 5 DDBDRO COc1cc([N+](=O)[O-])cnc1N1CCCc2ccc(C[NH3+])nc21 ZINC001169583091 762543504 /nfs/dbraw/zinc/54/35/04/762543504.db2.gz DDWQTMPBZSDWDV-UHFFFAOYSA-N 1 0 315.333 1.936 20 5 DDBDRO COc1nc(C)nc(NCC23CC[NH+](CC2)CC3)c1[N+](=O)[O-] ZINC001169794800 762677490 /nfs/dbraw/zinc/67/74/90/762677490.db2.gz XPZPSPIOCAJQIN-UHFFFAOYSA-N 1 0 307.354 1.600 20 5 DDBDRO C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1F)[C@@H]1C[N@H+](C)CCN1C ZINC000829037766 759863929 /nfs/dbraw/zinc/86/39/29/759863929.db2.gz MIXZTHJYWZHKFB-YGRLFVJLSA-N 1 0 324.356 1.098 20 5 DDBDRO O=[N+]([O-])c1c(NCc2nccc(Cl)n2)ncnc1C1C[NH2+]C1 ZINC001170545117 767909212 /nfs/dbraw/zinc/90/92/12/767909212.db2.gz LXYFDJPENPXGJH-UHFFFAOYSA-N 1 0 321.728 1.127 20 5 DDBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccc(Cl)cc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001020139114 760613169 /nfs/dbraw/zinc/61/31/69/760613169.db2.gz RFNFJEQGEWNMBC-AAVRWANBSA-N 1 0 323.780 1.742 20 5 DDBDRO O=C(NC[C@H]1C[C@H]([NH2+]Cc2ccccc2F)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001086363355 761492419 /nfs/dbraw/zinc/49/24/19/761492419.db2.gz PGMUUQOWGHFJKP-BPGGGUHBSA-N 1 0 321.352 1.475 20 5 DDBDRO Cc1cccnc1C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001086363421 761493166 /nfs/dbraw/zinc/49/31/66/761493166.db2.gz SKERJJLRJIQMCE-RGCMKSIDSA-N 1 0 318.377 1.040 20 5 DDBDRO Cc1nc(NCCCN(C)C(=O)CC[NH+](C)C)ccc1[N+](=O)[O-] ZINC001109616622 763880456 /nfs/dbraw/zinc/88/04/56/763880456.db2.gz KXCSAVBDXQHRHM-UHFFFAOYSA-N 1 0 323.397 1.510 20 5 DDBDRO NC(=[NH2+])c1nccn1-c1nc(Cl)nc2ccc([N+](=O)[O-])cc21 ZINC001157621292 765951203 /nfs/dbraw/zinc/95/12/03/765951203.db2.gz FJOSKSXEXKHSOE-UHFFFAOYSA-N 1 0 317.696 1.661 20 5 DDBDRO O=C(COCC(F)F)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001131765883 768354106 /nfs/dbraw/zinc/35/41/06/768354106.db2.gz PIHAYXCVUIHKCH-UHFFFAOYSA-N 1 0 317.292 1.082 20 5 DDBDRO COc1ccc(C[C@@H](C)[NH2+]CCS(C)(=O)=O)c([N+](=O)[O-])c1 ZINC001170298948 766227632 /nfs/dbraw/zinc/22/76/32/766227632.db2.gz OOHFDKHDBYKVNS-SNVBAGLBSA-N 1 0 316.379 1.169 20 5 DDBDRO COc1ccc(C[C@H](C)[NH2+]C[C@H]2CNC(=O)O2)c([N+](=O)[O-])c1 ZINC001170326031 766253079 /nfs/dbraw/zinc/25/30/79/766253079.db2.gz CMJOIAUDDBUVCL-CABZTGNLSA-N 1 0 309.322 1.232 20 5 DDBDRO COc1ccc(C[C@H](C)N2CC[N@@H+]3CC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001170355643 766261624 /nfs/dbraw/zinc/26/16/24/766261624.db2.gz NNVKFSAQQBSHDU-GXTWGEPZSA-N 1 0 305.378 1.924 20 5 DDBDRO CC[N@H+](CCC(N)=O)[C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170345039 766277364 /nfs/dbraw/zinc/27/73/64/766277364.db2.gz GWJFHTYXWJWLIF-LLVKDONJSA-N 1 0 309.366 1.732 20 5 DDBDRO Cc1nocc1C[NH+]1CCC(C)(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001045436970 766306273 /nfs/dbraw/zinc/30/62/73/766306273.db2.gz ZMZLCVRDSFHMMM-CHWSQXEVSA-N 1 0 322.365 1.119 20 5 DDBDRO CN(CC[NH3+])CCNc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC001170502088 767618561 /nfs/dbraw/zinc/61/85/61/767618561.db2.gz LKWWKTSCMVMDAP-UHFFFAOYSA-N 1 0 306.288 1.916 20 5 DDBDRO [NH3+]CCOCCOCCNc1cc2cc[nH]c2c([N+](=O)[O-])c1 ZINC001170511716 767694039 /nfs/dbraw/zinc/69/40/39/767694039.db2.gz ZGIZRRYYDUMPJB-UHFFFAOYSA-N 1 0 308.338 1.480 20 5 DDBDRO CCC(=O)N1C[C@@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC001048630866 769594136 /nfs/dbraw/zinc/59/41/36/769594136.db2.gz UMEZVGIKZSEHKC-OKILXGFUSA-N 1 0 303.362 1.895 20 5 DDBDRO O=C(NCC[NH2+]Cc1ccccc1[N+](=O)[O-])C1(CF)CCC1 ZINC001134040556 770579608 /nfs/dbraw/zinc/57/96/08/770579608.db2.gz ITYCQKHPTYFOIC-UHFFFAOYSA-N 1 0 309.341 1.940 20 5 DDBDRO CC[N@H+](C)CCC(=O)N[C@H]1C[C@H](Nc2ncccc2[N+](=O)[O-])C1 ZINC001097057204 771610816 /nfs/dbraw/zinc/61/08/16/771610816.db2.gz ROJYNRAGWMRGRV-HAQNSBGRSA-N 1 0 321.381 1.391 20 5 DDBDRO Nc1cc([N+](=O)[O-])cnc1N[C@@H]1CC[NH2+]C[C@H]1C(F)(F)F ZINC001160743879 772699791 /nfs/dbraw/zinc/69/97/91/772699791.db2.gz OUXDLZHHZKMOGY-VXNVDRBHSA-N 1 0 305.260 1.524 20 5 DDBDRO O=[N+]([O-])c1cnc(NCc2ccccc2N2CC[NH2+]CC2)cn1 ZINC001171283393 772922770 /nfs/dbraw/zinc/92/27/70/772922770.db2.gz DBQVOLMSBBLOFU-UHFFFAOYSA-N 1 0 314.349 1.407 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(N(C)CCNC(=O)CCC[NH+](C)C)n1 ZINC001100286933 775941561 /nfs/dbraw/zinc/94/15/61/775941561.db2.gz VRQMXDZSHBHODT-UHFFFAOYSA-N 1 0 323.397 1.192 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CC2(O)COC2)c1F ZINC001173180082 777035300 /nfs/dbraw/zinc/03/53/00/777035300.db2.gz SWDNMEJTAMTCNA-VIFPVBQESA-N 1 0 314.313 1.024 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CCN2CCC2)c1F ZINC001173183857 777035357 /nfs/dbraw/zinc/03/53/57/777035357.db2.gz OABJCMPQLVNYOZ-LLVKDONJSA-N 1 0 311.357 1.969 20 5 DDBDRO Cc1ccc(C(=O)N(CC[NH3+])CC(F)(F)F)cc1[N+](=O)[O-] ZINC001119360916 781419972 /nfs/dbraw/zinc/41/99/72/781419972.db2.gz BMYYMWCQQGGSCB-UHFFFAOYSA-N 1 0 305.256 1.866 20 5 DDBDRO C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 ZINC001119952867 781695837 /nfs/dbraw/zinc/69/58/37/781695837.db2.gz FEMJKZGFFLDAOB-AAEUAGOBSA-N 1 0 312.391 1.550 20 5 DDBDRO CC[N@H+](CCNC(=O)c1cnon1)Cc1ccc([N+](=O)[O-])cc1 ZINC001266425598 836237106 /nfs/dbraw/zinc/23/71/06/836237106.db2.gz VGJQFAVQPSQKMG-UHFFFAOYSA-N 1 0 319.321 1.230 20 5 DDBDRO Cc1ncoc1C[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(C)C ZINC001267501581 838195392 /nfs/dbraw/zinc/19/53/92/838195392.db2.gz QZAFUWBTYIKWHG-CHWSQXEVSA-N 1 0 324.381 1.365 20 5 DDBDRO CCN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)CC(C)(C)O ZINC001268447852 840202384 /nfs/dbraw/zinc/20/23/84/840202384.db2.gz IOKGDCWLLKOATD-UHFFFAOYSA-N 1 0 323.393 1.694 20 5 DDBDRO COCC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001269950341 842179222 /nfs/dbraw/zinc/17/92/22/842179222.db2.gz BIENZXVBZPDOIC-HDJSIYSDSA-N 1 0 321.377 1.758 20 5 DDBDRO CC(C)(C)OC(=O)N1CCO[C@@H](COCCC[N+](C)(C)C)C1 ZINC001224619095 844923602 /nfs/dbraw/zinc/92/36/02/844923602.db2.gz KQZHCSZLORFUKN-CQSZACIVSA-N 1 0 317.450 1.735 20 5 DDBDRO O=[N+]([O-])c1cc(C(F)(F)NC[C@@H]2C[C@H](F)C[NH2+]2)cnc1Cl ZINC001155028643 861658313 /nfs/dbraw/zinc/65/83/13/861658313.db2.gz FGDZERAWDMTGLL-YUMQZZPRSA-N 1 0 324.690 1.982 20 5 DDBDRO COC(=O)[C@@H](Nc1nccc2ccc([N+](=O)[O-])cc21)C(C)(C)[NH3+] ZINC001155369183 862002637 /nfs/dbraw/zinc/00/26/37/862002637.db2.gz RDCWKIVACKROSY-GFCCVEGCSA-N 1 0 318.333 1.834 20 5 DDBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N[C@@H]2COCCC23C[NH2+]C3)n1 ZINC001155460821 862110270 /nfs/dbraw/zinc/11/02/70/862110270.db2.gz BGOSHDHJPAEPNG-MRVPVSSYSA-N 1 0 313.745 1.137 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(N(c2ncccn2)C2C[NH2+]C2)nc1Cl ZINC001155870164 862525116 /nfs/dbraw/zinc/52/51/16/862525116.db2.gz SIEBTHCCSPSOQZ-UHFFFAOYSA-N 1 0 320.740 1.852 20 5 DDBDRO O=[N+]([O-])c1ccc2nc(N(c3ncccn3)C3C[NH2+]C3)cnc2c1 ZINC001155870485 862525625 /nfs/dbraw/zinc/52/56/25/862525625.db2.gz YFKJVYYYSWLVRS-UHFFFAOYSA-N 1 0 323.316 1.438 20 5 DDBDRO CC(C)(C)[NH+]1CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC001327956772 862593033 /nfs/dbraw/zinc/59/30/33/862593033.db2.gz JVUQGJVUMLBYBR-UHFFFAOYSA-N 1 0 306.366 1.614 20 5 DDBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001122304512 858744856 /nfs/dbraw/zinc/74/48/56/858744856.db2.gz GJNJJHFWGLIKDG-VTUYONSCSA-N 1 0 301.346 1.676 20 5 DDBDRO COc1ccc(OC(=O)COC2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC001122519152 858864648 /nfs/dbraw/zinc/86/46/48/858864648.db2.gz GXMCARACKACCHZ-UHFFFAOYSA-N 1 0 324.333 1.620 20 5 DDBDRO CCn1cc(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])cn1 ZINC001125010322 859869654 /nfs/dbraw/zinc/86/96/54/859869654.db2.gz APOYUZRQNZDTSZ-UHFFFAOYSA-N 1 0 317.349 1.331 20 5 DDBDRO CCn1cc(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)cn1 ZINC001125010396 859870058 /nfs/dbraw/zinc/87/00/58/859870058.db2.gz CITGMWVKDWBWRK-UHFFFAOYSA-N 1 0 317.349 1.331 20 5 DDBDRO CCCc1n[nH]c(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1[N+](=O)[O-] ZINC001140951393 860744815 /nfs/dbraw/zinc/74/48/15/860744815.db2.gz JACLBXZCFOGHDO-FGWVZKOKSA-N 1 0 321.381 1.625 20 5 DDBDRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC001141747793 860927563 /nfs/dbraw/zinc/92/75/63/860927563.db2.gz IWQQCAPIFBBLQD-QWRGUYRKSA-N 1 0 306.322 1.052 20 5 DDBDRO O=c1onc(-c2ccc([N+](=O)[O-])cc2)n1C[C@@H]1CCC[NH2+]C1 ZINC001326017511 861043361 /nfs/dbraw/zinc/04/33/61/861043361.db2.gz CMFREJDIQFZEKW-SNVBAGLBSA-N 1 0 304.306 1.411 20 5 DDBDRO O=[N+]([O-])c1cnc(N2Cc3ncsc3C2)nc1C1C[NH2+]C1 ZINC001156845123 863392671 /nfs/dbraw/zinc/39/26/71/863392671.db2.gz CYKWVWFEKHKPME-UHFFFAOYSA-N 1 0 304.335 1.048 20 5 DDBDRO Cc1ccc(C(=O)N2CC([NH2+][C@@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC001157006437 863515343 /nfs/dbraw/zinc/51/53/43/863515343.db2.gz NBEHIKKQFKHCNF-GFCCVEGCSA-N 1 0 305.334 1.106 20 5 DDBDRO NC(=[NH2+])c1nccn1C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1 ZINC001157621197 863982004 /nfs/dbraw/zinc/98/20/04/863982004.db2.gz AIMKLWYQBRPWML-UHFFFAOYSA-N 1 0 316.655 1.721 20 5 DDBDRO Cc1ccc(-c2ccc(-n3ccnc3C(N)=[NH2+])nn2)cc1[N+](=O)[O-] ZINC001157627556 863988222 /nfs/dbraw/zinc/98/82/22/863988222.db2.gz WPQHDBVSWRSEHB-UHFFFAOYSA-N 1 0 323.316 1.830 20 5 DDBDRO O=[N+]([O-])c1cc2c(Cl)ncnc2c(N2C[C@@H]3C[NH2+][C@@H]3C2)c1 ZINC001157625734 863988303 /nfs/dbraw/zinc/98/83/03/863988303.db2.gz QPQOEIIGIHTYMF-OIBJUYFYSA-N 1 0 305.725 1.599 20 5 DDBDRO Cc1cc(C)c(C[NH2+]CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c(C)c1 ZINC001157761649 864110916 /nfs/dbraw/zinc/11/09/16/864110916.db2.gz VUCXBBFYPUCRNL-GDBMZVCRSA-N 1 0 319.405 1.873 20 5 DDBDRO Cc1ccc(OCC[NH2+]CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC001157775014 864128601 /nfs/dbraw/zinc/12/86/01/864128601.db2.gz HRAXSDHDQGPTRQ-HUUCEWRRSA-N 1 0 321.377 1.135 20 5 DDBDRO [NH3+]Cc1cnnn1-c1ccc(-c2ccc(F)c([N+](=O)[O-])c2)nn1 ZINC001158428189 864648472 /nfs/dbraw/zinc/64/84/72/864648472.db2.gz QHMNKPCTZJNLHP-UHFFFAOYSA-N 1 0 315.268 1.230 20 5 DDBDRO O=[N+]([O-])c1cc(C(F)(F)NC[C@@H]2COCC[NH2+]2)cnc1Cl ZINC001159038423 865059265 /nfs/dbraw/zinc/05/92/65/865059265.db2.gz ZFGOUMQEKKQBKX-MRVPVSSYSA-N 1 0 322.699 1.271 20 5 DDBDRO C[NH2+][C@@H](C)CCNS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC001332325751 865760945 /nfs/dbraw/zinc/76/09/45/865760945.db2.gz RRELGCHGHJUBDR-JTQLQIEISA-N 1 0 315.395 1.488 20 5 DDBDRO CC(C)(C)[NH+]1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC001319919452 866384128 /nfs/dbraw/zinc/38/41/28/866384128.db2.gz WUWYOGBGUHXLEJ-UHFFFAOYSA-N 1 0 306.366 1.733 20 5 DDBDRO CN(CCN(C)C(=O)CC[NH+](C)C)Cc1cccc([N+](=O)[O-])c1 ZINC001320043710 866444116 /nfs/dbraw/zinc/44/41/16/866444116.db2.gz XAPRRAPBOFNMPQ-UHFFFAOYSA-N 1 0 322.409 1.437 20 5 DDBDRO COCCC1(CNc2cc(N)c([N+](=O)[O-])cn2)CC[NH2+]CC1 ZINC001161503716 866722240 /nfs/dbraw/zinc/72/22/40/866722240.db2.gz RESJRQJUADPURC-UHFFFAOYSA-N 1 0 309.370 1.390 20 5 DDBDRO COc1ccc(NC(=O)NCC[NH+]2CC=CC2)cc1[N+](=O)[O-] ZINC001323671554 866761806 /nfs/dbraw/zinc/76/18/06/866761806.db2.gz AULPSDZOWPEYBM-UHFFFAOYSA-N 1 0 306.322 1.597 20 5 DDBDRO COc1ccc([N+](=O)[O-])nc1NCCCN1CC[NH+](C)CC1 ZINC001161706510 866914665 /nfs/dbraw/zinc/91/46/65/866914665.db2.gz ZUQNZPSQOXVGFN-UHFFFAOYSA-N 1 0 309.370 1.048 20 5 DDBDRO CCOc1nc(N2CCC([NH3+])(CCOC)CC2)ccc1[N+](=O)[O-] ZINC001162041435 867211692 /nfs/dbraw/zinc/21/16/92/867211692.db2.gz JKSJGBHLYBHNPB-UHFFFAOYSA-N 1 0 324.381 1.723 20 5 DDBDRO O=C(NC/C=C/C[NH2+]CCc1ccccc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001321057399 867271550 /nfs/dbraw/zinc/27/15/50/867271550.db2.gz OQSCBMQGSPHXRD-DPOFCPOHSA-N 1 0 303.362 1.156 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N[C@]1(C)CCC[N@H+](C)C1 ZINC001162341320 867474576 /nfs/dbraw/zinc/47/45/76/867474576.db2.gz KLEAAZHIFNNZKH-CQSZACIVSA-N 1 0 308.338 1.673 20 5 DDBDRO COc1nc(SC)nc(NC[C@@H]2C[C@H](F)C[NH2+]2)c1[N+](=O)[O-] ZINC001162472439 867557417 /nfs/dbraw/zinc/55/74/17/867557417.db2.gz IQNZDAVKNZVYHV-BQBZGAKWSA-N 1 0 317.346 1.227 20 5 DDBDRO COC(=O)c1ncc([N+](=O)[O-])cc1NC[C@H]1CCC[NH2+]C[C@@H]1C ZINC001162470796 867558659 /nfs/dbraw/zinc/55/86/59/867558659.db2.gz MMAXTAUMOKZADC-WDEREUQCSA-N 1 0 322.365 1.824 20 5 DDBDRO O=[N+]([O-])c1cc(NCc2ccc3c(c2)CC[NH2+]C3)cn2cnnc12 ZINC001162815424 867849483 /nfs/dbraw/zinc/84/94/83/867849483.db2.gz KIAJZICTOBBCAT-UHFFFAOYSA-N 1 0 324.344 1.895 20 5 DDBDRO NC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@H]([NH3+])Cc2ccccc21 ZINC001162841813 867858496 /nfs/dbraw/zinc/85/84/96/867858496.db2.gz PSRLIAXITBMZJC-SNVBAGLBSA-N 1 0 313.317 1.110 20 5 DDBDRO COC(=O)[C@@H](Nc1nc2c(cc1[N+](=O)[O-])CCCC2)C(C)(C)[NH3+] ZINC001162943079 867932472 /nfs/dbraw/zinc/93/24/72/867932472.db2.gz WLLWEVSWDYSRJZ-GFCCVEGCSA-N 1 0 322.365 1.559 20 5 DDBDRO COc1nc(C)c(NC[C@H]2OC[C@H]3C[NH2+]CC[C@H]32)cc1[N+](=O)[O-] ZINC001163171460 868184415 /nfs/dbraw/zinc/18/44/15/868184415.db2.gz LHHGDEZUMDAIDY-JTNHKYCSSA-N 1 0 322.365 1.343 20 5 DDBDRO Cc1cncc([N+](=O)[O-])c1N1CC[NH+](CC2CCOCC2)CC1 ZINC001322501286 868206593 /nfs/dbraw/zinc/20/65/93/868206593.db2.gz MTVIDFWEFBEFCG-UHFFFAOYSA-N 1 0 320.393 1.847 20 5 DDBDRO CC(C)(C)c1ccc(N[C@]23CC[NH2+][C@@H]2CC(=O)N3)c([N+](=O)[O-])c1 ZINC001163252784 868260052 /nfs/dbraw/zinc/26/00/52/868260052.db2.gz WZSNPNAXVJWIAM-CJNGLKHVSA-N 1 0 318.377 1.882 20 5 DDBDRO O=C1C[C@H]2[NH2+]CC[C@@]2(Nc2cc([N+](=O)[O-])cc3cc[nH]c32)N1 ZINC001163253115 868260685 /nfs/dbraw/zinc/26/06/85/868260685.db2.gz YCCWKZRSLGZJRU-BXUZGUMPSA-N 1 0 301.306 1.066 20 5 DDBDRO CCOc1cnc(N[C@@H]2CCO[C@@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC001163310393 868337706 /nfs/dbraw/zinc/33/77/06/868337706.db2.gz LIHQCZOCPXFVFL-ABAIWWIYSA-N 1 0 322.365 1.712 20 5 DDBDRO CNC(=O)[C@H](CCCC[NH3+])Nc1nccc(Cl)c1[N+](=O)[O-] ZINC001163438499 868447992 /nfs/dbraw/zinc/44/79/92/868447992.db2.gz JVEHATFLXJSFRY-VIFPVBQESA-N 1 0 315.761 1.299 20 5 DDBDRO CNC(=O)[C@H](CCCC[NH3+])Nc1cc([N+](=O)[O-])c2cc[nH]c2n1 ZINC001163445122 868455390 /nfs/dbraw/zinc/45/53/90/868455390.db2.gz OBJVXNQTGWGFQT-JTQLQIEISA-N 1 0 320.353 1.127 20 5 DDBDRO O=C(NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1csnn1 ZINC001163452507 868460646 /nfs/dbraw/zinc/46/06/46/868460646.db2.gz YTIRRLFKLVLASR-UHFFFAOYSA-N 1 0 321.362 1.356 20 5 DDBDRO CCOC(=O)CC1([NH3+])CCN(c2nccc(C)c2[N+](=O)[O-])CC1 ZINC001163527771 868508909 /nfs/dbraw/zinc/50/89/09/868508909.db2.gz JDMXHMDPYIPUBK-UHFFFAOYSA-N 1 0 322.365 1.549 20 5 DDBDRO Nc1cc(N2CCC[C@@H]([NH+]3CCOCC3)CC2)ncc1[N+](=O)[O-] ZINC001336667039 869082328 /nfs/dbraw/zinc/08/23/28/869082328.db2.gz YZWOYADKZKWIBN-GFCCVEGCSA-N 1 0 321.381 1.263 20 5 DDBDRO C[C@]1(F)CCN(c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)C[C@H]1F ZINC001164337607 869133728 /nfs/dbraw/zinc/13/37/28/869133728.db2.gz GCXXZQUKLNSJCV-MFKMUULPSA-N 1 0 313.308 1.348 20 5 DDBDRO COC(=O)c1cnc(N2C[C@@H](C[NH3+])CC[C@@H]2C)c([N+](=O)[O-])c1 ZINC001164463064 869209974 /nfs/dbraw/zinc/20/99/74/869209974.db2.gz WJHJYHYZMLDDOY-VHSXEESVSA-N 1 0 308.338 1.340 20 5 DDBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@@H]2C[NH+](C)C[C@H]2C1 ZINC001165151426 869410917 /nfs/dbraw/zinc/41/09/17/869410917.db2.gz QREOMDMSXVFIGE-QWRGUYRKSA-N 1 0 320.349 1.164 20 5 DDBDRO COC(=O)c1ccnc(N2CC[N@H+](C(C)C)[C@H](C)C2)c1[N+](=O)[O-] ZINC001165200289 869422730 /nfs/dbraw/zinc/42/27/30/869422730.db2.gz TWFKNBRYSKAGDN-LLVKDONJSA-N 1 0 322.365 1.695 20 5 DDBDRO COC(=O)/C=C/c1ccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)cc1 ZINC001226248465 882307091 /nfs/dbraw/zinc/30/70/91/882307091.db2.gz LTMRRFMKFLOPHU-DNGMOHDESA-N 1 0 322.381 1.235 20 5 DDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC001337502782 869515154 /nfs/dbraw/zinc/51/51/54/869515154.db2.gz KWIXEXORGICBHN-CQSZACIVSA-N 1 0 306.366 1.707 20 5 DDBDRO COc1cc2ncnc(N3CCC[C@H]4[NH2+]C[C@@H]43)c2cc1[N+](=O)[O-] ZINC001165389245 869561596 /nfs/dbraw/zinc/56/15/96/869561596.db2.gz GCLLOBUKZFPRMC-MFKMUULPSA-N 1 0 315.333 1.487 20 5 DDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H]1CCCC[N@@H+]1C ZINC001338020098 869748391 /nfs/dbraw/zinc/74/83/91/869748391.db2.gz BARXBUBEQMJWOE-GFCCVEGCSA-N 1 0 306.366 1.851 20 5 DDBDRO CO[C@@H]1CC[N@H+](CCOc2nc(Cl)ccc2[N+](=O)[O-])C1 ZINC001226363931 882387779 /nfs/dbraw/zinc/38/77/79/882387779.db2.gz AIICSLLEAZJGPT-SECBINFHSA-N 1 0 301.730 1.743 20 5 DDBDRO COC(=O)C1(Nc2ncc(F)c(C)c2[N+](=O)[O-])CC[NH2+]CC1 ZINC001166923040 870379735 /nfs/dbraw/zinc/37/97/35/870379735.db2.gz SZEBGWIEINWJBY-UHFFFAOYSA-N 1 0 312.301 1.144 20 5 DDBDRO CN(CC[N@H+](C)CCO)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC001301548910 871001368 /nfs/dbraw/zinc/00/13/68/871001368.db2.gz VRCWTQWLDAOXLO-UHFFFAOYSA-N 1 0 320.349 1.072 20 5 DDBDRO C[C@@H]1CN(C(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC001341153049 871529815 /nfs/dbraw/zinc/52/98/15/871529815.db2.gz MAVRDYDTKUSMBL-DWZYQQQCSA-N 1 0 303.362 1.752 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H](C)[C@@H]1CN(C)CCN1C ZINC001308948986 871537596 /nfs/dbraw/zinc/53/75/96/871537596.db2.gz UWLVGWGTOVMINN-YOEHRIQHSA-N 1 0 320.437 1.936 20 5 DDBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@H]1[NH2+]CC12CCOCC2 ZINC001341292857 871595434 /nfs/dbraw/zinc/59/54/34/871595434.db2.gz RHFQUPVJFWAWGN-CQSZACIVSA-N 1 0 319.361 1.022 20 5 DDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)NCCNc1cc[nH+]cc1 ZINC001317878541 871615002 /nfs/dbraw/zinc/61/50/02/871615002.db2.gz XYGNSDRYRDAQSM-UHFFFAOYSA-N 1 0 315.333 1.295 20 5 DDBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)[C@H]1C[NH2+]CCC12CCC2 ZINC001341345234 871615808 /nfs/dbraw/zinc/61/58/08/871615808.db2.gz URZPMDNSCMQZTA-CQSZACIVSA-N 1 0 303.362 1.991 20 5 DDBDRO CN(C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001342128258 872024191 /nfs/dbraw/zinc/02/41/91/872024191.db2.gz FZNBNPVODFBQTK-WDNDVIMCSA-N 1 0 303.362 1.549 20 5 DDBDRO CCOc1ccc(C(=O)N2CC[C@@H]3CC[C@@]32C[NH3+])cc1[N+](=O)[O-] ZINC001342260796 872106791 /nfs/dbraw/zinc/10/67/91/872106791.db2.gz WWMHXYYVIMXJPY-BLLLJJGKSA-N 1 0 319.361 1.947 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N1CCC[C@@]12CC[NH2+]C2 ZINC001343033740 872476084 /nfs/dbraw/zinc/47/60/84/872476084.db2.gz OLBRZXHGWFQART-HNNXBMFYSA-N 1 0 305.334 1.328 20 5 DDBDRO COC[C@H]1C[NH2+]CCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC001343057481 872486526 /nfs/dbraw/zinc/48/65/26/872486526.db2.gz ZHXXBSRWYSCMMV-GFCCVEGCSA-N 1 0 319.317 1.401 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1[C@H](C)C[NH2+][C@@H](C)[C@H]1C ZINC001344845981 873143011 /nfs/dbraw/zinc/14/30/11/873143011.db2.gz HRYNSSNXOUBUDQ-OUAUKWLOSA-N 1 0 309.370 1.087 20 5 DDBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)c1 ZINC001345513680 873427465 /nfs/dbraw/zinc/42/74/65/873427465.db2.gz PIVYQXHGNZPPMM-JFUSQASVSA-N 1 0 307.375 1.939 20 5 DDBDRO O=C(CNc1ccccc1[N+](=O)[O-])NC[C@@H]1CCC[NH2+]CC1 ZINC001346441065 873755278 /nfs/dbraw/zinc/75/52/78/873755278.db2.gz JKQDFTVVUVRVHM-GFCCVEGCSA-N 1 0 306.366 1.513 20 5 DDBDRO [NH3+]C1(CNC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)CCCC1 ZINC001347062220 873995531 /nfs/dbraw/zinc/99/55/31/873995531.db2.gz ZOAZELKVLQEROU-UHFFFAOYSA-N 1 0 304.350 1.892 20 5 DDBDRO C[N@@H+]1CCC[C@H](Oc2[nH]c(=O)nc3ccc([N+](=O)[O-])cc32)C1 ZINC001227093057 882825948 /nfs/dbraw/zinc/82/59/48/882825948.db2.gz RPFYUYOHDAUPMO-JTQLQIEISA-N 1 0 304.306 1.717 20 5 DDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC001348969838 874902372 /nfs/dbraw/zinc/90/23/72/874902372.db2.gz JICKUAJEBJEVGG-ABAIWWIYSA-N 1 0 318.377 1.803 20 5 DDBDRO CCN1C[C@H](C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1=O ZINC001353297404 877234851 /nfs/dbraw/zinc/23/48/51/877234851.db2.gz FVKKAKMZFBBMKF-FZMZJTMJSA-N 1 0 307.350 1.086 20 5 DDBDRO CC(=O)Nc1ccc(C(C)=O)c(O[C@H]2CC[NH2+]C2)c1[N+](=O)[O-] ZINC001218180658 877412272 /nfs/dbraw/zinc/41/22/72/877412272.db2.gz ACPWCQMEGYCNBS-JTQLQIEISA-N 1 0 307.306 1.497 20 5 DDBDRO Nc1cc2nc3ccccc3nc2cc1NC(=O)[C@@H]1COCCN1 ZINC001218860197 877772172 /nfs/dbraw/zinc/77/21/72/877772172.db2.gz UKWBZLRBPBBMIC-INIZCTEOSA-N 1 0 323.356 1.292 20 5 DDBDRO O=C(Nc1cc2cccnc2c2ncccc12)[C@@H]1C[NH2+]CCN1 ZINC001218980169 877851841 /nfs/dbraw/zinc/85/18/41/877851841.db2.gz VHTXEQBHJSZFNO-AWEZNQCLSA-N 1 0 307.357 1.283 20 5 DDBDRO NOCCNC(=O)[C@@H]([NH3+])Cc1c2ccccc2cc2ccccc21 ZINC001219970042 878620428 /nfs/dbraw/zinc/62/04/28/878620428.db2.gz SIDYMHWCGYASPJ-SFHVURJKSA-N 1 0 323.396 1.869 20 5 DDBDRO CC1(C)CN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)C[C@@H]1[NH3+] ZINC001358131257 880342176 /nfs/dbraw/zinc/34/21/76/880342176.db2.gz PANNQOGYONXJSB-LBPRGKRZSA-N 1 0 311.313 1.308 20 5 DDBDRO COC(=O)c1ccc(CO[C@H]2C[NH+]3CCC2CC3)c([N+](=O)[O-])c1 ZINC001223413993 880951792 /nfs/dbraw/zinc/95/17/92/880951792.db2.gz SGSRFAHVIAYXIX-HNNXBMFYSA-N 1 0 320.345 1.992 20 5 DDBDRO CO[C@@H]1CC[N@H+](CCOc2cc([N+](=O)[O-])cc(F)c2F)C1 ZINC001228015237 883285744 /nfs/dbraw/zinc/28/57/44/883285744.db2.gz BGGXMOYGFIGHPV-SNVBAGLBSA-N 1 0 302.277 1.973 20 5 DDBDRO CO[C@@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])c(Cl)n2)C1 ZINC001228937747 883740017 /nfs/dbraw/zinc/74/00/17/883740017.db2.gz ILLFOOGLVQWJCJ-SECBINFHSA-N 1 0 301.730 1.743 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccnc(OC(F)F)c1 ZINC001229087257 883809482 /nfs/dbraw/zinc/80/94/82/883809482.db2.gz TZSVOYBRESQSHW-SECBINFHSA-N 1 0 305.301 1.046 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cccc2cc(F)cnc21 ZINC001231151267 885293390 /nfs/dbraw/zinc/29/33/90/885293390.db2.gz PVMRXAZQZNQYJV-CYBMUJFWSA-N 1 0 307.345 1.737 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1c(F)cc(F)cc1[N+](=O)[O-] ZINC001233695186 887232912 /nfs/dbraw/zinc/23/29/12/887232912.db2.gz LBEPQSXKYLOIDA-SECBINFHSA-N 1 0 319.284 1.236 20 5 DDBDRO C[N@H+](CCCNC(=O)c1cocn1)Cc1ccc([N+](=O)[O-])cc1 ZINC001235717267 888911310 /nfs/dbraw/zinc/91/13/10/888911310.db2.gz ZRHOHUUMYPPRHG-UHFFFAOYSA-N 1 0 318.333 1.835 20 5 DDBDRO COc1ccc(C[C@H](C)[NH2+][C@H]2CCNC[C@@H]2F)c([N+](=O)[O-])c1 ZINC001246087554 892408101 /nfs/dbraw/zinc/40/81/01/892408101.db2.gz OZWDOPFCTPYFKC-BPNCWPANSA-N 1 0 311.357 1.824 20 5 DDBDRO C=CC(=O)NCC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254467733 896452978 /nfs/dbraw/zinc/45/29/78/896452978.db2.gz FEEUWIBYZIKNAQ-UHFFFAOYSA-N 1 0 318.377 1.455 20 5 DDBDRO CCC(CO)(CO)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254467122 896453788 /nfs/dbraw/zinc/45/37/88/896453788.db2.gz YVWHJXATMGRJRR-UHFFFAOYSA-N 1 0 323.393 1.287 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1(C(N)=O)CCOCC1 ZINC001254539545 896494060 /nfs/dbraw/zinc/49/40/60/896494060.db2.gz IMAZWNPLNLSNAQ-LLVKDONJSA-N 1 0 307.350 1.150 20 5 DDBDRO COC(=O)[C@@H]1COCC[C@@H]1[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254590077 896522637 /nfs/dbraw/zinc/52/26/37/896522637.db2.gz UPUCABRRNNQVQS-CFVMTHIKSA-N 1 0 320.345 1.230 20 5 DDBDRO COC(=O)[C@H]1[C@@H]2C[N@H+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C[C@@H]21 ZINC001254602790 896527337 /nfs/dbraw/zinc/52/73/37/896527337.db2.gz IXOHNAJWGJBWEP-KBXIAJHMSA-N 1 0 302.330 1.413 20 5 DDBDRO C[C@H](O)C[NH+]1CCN(c2ncc([N+](=O)[O-])c3ccccc32)CC1 ZINC001262059345 899923036 /nfs/dbraw/zinc/92/30/36/899923036.db2.gz WGMQCWFTXDPMGT-LBPRGKRZSA-N 1 0 316.361 1.646 20 5 DDBDRO C[N@@H+]1CCCC[C@H]1CNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC001262653034 900286690 /nfs/dbraw/zinc/28/66/90/900286690.db2.gz XHKBYSXPPAIUHU-LBPRGKRZSA-N 1 0 306.366 1.607 20 5 DDBDRO C[C@@H]1[C@H](C)[NH2+]C[C@H](C)N1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC001263202031 900530696 /nfs/dbraw/zinc/53/06/96/900530696.db2.gz QGIIAOGPNKBQOE-SDDRHHMPSA-N 1 0 307.350 1.571 20 5 DDBDRO O=C(NCC1([NH2+]Cc2cncc(F)c2)CCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001280480581 903723179 /nfs/dbraw/zinc/72/31/79/903723179.db2.gz UQNYQLVTPTYXIA-CHWSQXEVSA-N 1 0 322.340 1.014 20 5 DDBDRO CN(CC1([NH+](C)C)CCC1)C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001296647564 916517453 /nfs/dbraw/zinc/51/74/53/916517453.db2.gz KTSYVTSMGJQAJS-UHFFFAOYSA-N 1 0 306.366 1.733 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CC([NH2+][C@H]3CCOC3)C2)c2ncccc12 ZINC001307216887 916580090 /nfs/dbraw/zinc/58/00/90/916580090.db2.gz AXWGHMLFFGCBSE-NSHDSACASA-N 1 0 314.345 1.710 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H]1CCOC1(C)C ZINC000451239991 231042979 /nfs/dbraw/zinc/04/29/79/231042979.db2.gz GFKIRIIIBBGTHD-LBPRGKRZSA-N 1 0 307.350 1.999 20 5 DDBDRO O=[N+]([O-])c1cc2c(ncnc2NCC[N@@H+]2CCCOCC2)s1 ZINC000286568891 219058191 /nfs/dbraw/zinc/05/81/91/219058191.db2.gz FYTIQCMPPFDXBW-UHFFFAOYSA-N 1 0 323.378 1.734 20 5 DDBDRO CC[C@H]([NH3+])CNC(=O)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000415791704 529443377 /nfs/dbraw/zinc/44/33/77/529443377.db2.gz RWXDLLJINFOFOP-JTQLQIEISA-N 1 0 308.338 1.004 20 5 DDBDRO O=C(Cc1ccccc1[N+](=O)[O-])NC[C@@H]1CCCC[N@H+]1CCO ZINC000452390050 231374984 /nfs/dbraw/zinc/37/49/84/231374984.db2.gz NLVLBCCDCHXJHM-AWEZNQCLSA-N 1 0 321.377 1.100 20 5 DDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@H]1CCCC[N@H+]1CCO ZINC000452390478 231375343 /nfs/dbraw/zinc/37/53/43/231375343.db2.gz OFHNHNCEUUGBNP-OAHLLOKOSA-N 1 0 321.377 1.100 20 5 DDBDRO COC[C@H](C)OC[C@@H](O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000278215846 214028292 /nfs/dbraw/zinc/02/82/92/214028292.db2.gz DMUSHDAZGROOJD-ZOWXZIJZSA-N 1 0 312.366 1.658 20 5 DDBDRO CC1(C)CN(CCOc2cccc([N+](=O)[O-])c2)CC[N@@H+]1CCO ZINC000614920830 362077825 /nfs/dbraw/zinc/07/78/25/362077825.db2.gz SGAUKADFQRYYOL-UHFFFAOYSA-N 1 0 323.393 1.362 20 5 DDBDRO C[NH+]1CCC(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000096997026 185395627 /nfs/dbraw/zinc/39/56/27/185395627.db2.gz QAXIDGLFCSPOGK-UHFFFAOYSA-N 1 0 317.342 1.106 20 5 DDBDRO CN(C(=O)C[NH2+][C@@H](CCO)C(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000181465313 199301106 /nfs/dbraw/zinc/30/11/06/199301106.db2.gz UEORIJZRNZKCQL-AWEZNQCLSA-N 1 0 323.393 1.944 20 5 DDBDRO C[N@H+](CCCCNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)C1CC1 ZINC000457211328 529883702 /nfs/dbraw/zinc/88/37/02/529883702.db2.gz VZXWPVIBLWCJQM-UHFFFAOYSA-N 1 0 324.356 1.920 20 5 DDBDRO O=C1NCCN1CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000289935282 282350703 /nfs/dbraw/zinc/35/07/03/282350703.db2.gz OOBLEIVJXKTIPG-UHFFFAOYSA-N 1 0 304.350 1.584 20 5 DDBDRO C[N@@H+]1CCC[C@H](CCNC(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000458207237 530060956 /nfs/dbraw/zinc/06/09/56/530060956.db2.gz JFNUQVFPJVONCU-SNVBAGLBSA-N 1 0 307.354 1.034 20 5 DDBDRO O=C(CC[N@H+]1CC[C@@H](CO)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000181714380 199343096 /nfs/dbraw/zinc/34/30/96/199343096.db2.gz UZOPDBGNQQNURZ-SNVBAGLBSA-N 1 0 311.313 1.377 20 5 DDBDRO O=C(CN1CCC[C@H]2C[NH2+]C[C@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000318006656 282405187 /nfs/dbraw/zinc/40/51/87/282405187.db2.gz VTOZQUKSFYNMFB-SMDDNHRTSA-N 1 0 304.350 1.217 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000313353942 290804978 /nfs/dbraw/zinc/80/49/78/290804978.db2.gz MNIKOGGIGBCMBD-HNNXBMFYSA-N 1 0 314.345 1.720 20 5 DDBDRO CC[C@]1([NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CCOC1 ZINC000616865550 362851417 /nfs/dbraw/zinc/85/14/17/362851417.db2.gz VHXURQHIZKKVEF-HNNXBMFYSA-N 1 0 307.350 1.716 20 5 DDBDRO CN([C@H]1CC[NH2+]C1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000071310249 190955504 /nfs/dbraw/zinc/95/55/04/190955504.db2.gz NMLPRDTWWAXEBG-VIFPVBQESA-N 1 0 319.770 1.231 20 5 DDBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCCOCCO)C1CC1 ZINC000272590339 186420304 /nfs/dbraw/zinc/42/03/04/186420304.db2.gz RWWQMAVDZVEKTO-OAHLLOKOSA-N 1 0 308.378 1.905 20 5 DDBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000172041317 198030730 /nfs/dbraw/zinc/03/07/30/198030730.db2.gz UTQRTFHLXYIGHF-LBPRGKRZSA-N 1 0 309.370 1.172 20 5 DDBDRO CCCc1n[nH]c(C(=O)NCCC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000172327007 198080643 /nfs/dbraw/zinc/08/06/43/198080643.db2.gz IXJAUDRDCWICQX-UHFFFAOYSA-N 1 0 309.370 1.486 20 5 DDBDRO O=C(NCCCC[NH+]1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000053449572 352656265 /nfs/dbraw/zinc/65/62/65/352656265.db2.gz UCHLRSVBJWIJPB-UHFFFAOYSA-N 1 0 307.350 1.437 20 5 DDBDRO Cc1cccc(C[NH+]2CCC(NC(=O)[C@H]3C[C@H]3[N+](=O)[O-])CC2)c1 ZINC000053506621 352659367 /nfs/dbraw/zinc/65/93/67/352659367.db2.gz DXIBHCWGSSQEQO-JKSUJKDBSA-N 1 0 317.389 1.741 20 5 DDBDRO COCC[N@H+](C)CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000054353646 352688308 /nfs/dbraw/zinc/68/83/08/352688308.db2.gz LIRPOCMCAOPIQF-UHFFFAOYSA-N 1 0 311.338 1.510 20 5 DDBDRO COc1ccc(C(=O)NC[C@H](C)[N@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000057719404 352825819 /nfs/dbraw/zinc/82/58/19/352825819.db2.gz FXRFCIXWYWMHHG-JTQLQIEISA-N 1 0 307.350 1.816 20 5 DDBDRO CC[N@@H+]1CCC[C@H](CNC(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000058283672 352841553 /nfs/dbraw/zinc/84/15/53/352841553.db2.gz PTFOIQJTEVFYLO-CYBMUJFWSA-N 1 0 321.377 1.822 20 5 DDBDRO Nc1ccc(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000060759025 352879005 /nfs/dbraw/zinc/87/90/05/352879005.db2.gz WHOKHPUMAZIVRA-STQMWFEESA-N 1 0 304.350 1.534 20 5 DDBDRO O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1C[C@@H]1[N+](=O)[O-] ZINC000067361331 353045502 /nfs/dbraw/zinc/04/55/02/353045502.db2.gz KLXZKYVHNKTIBK-XHSDSOJGSA-N 1 0 317.389 1.680 20 5 DDBDRO COc1cc(OCC(=O)NC[C@@H](C)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000068856143 353133285 /nfs/dbraw/zinc/13/32/85/353133285.db2.gz QAVSYFGPSJAYKL-SNVBAGLBSA-N 1 0 311.338 1.049 20 5 DDBDRO O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCC[NH+]1CCSCC1 ZINC000491826757 234307204 /nfs/dbraw/zinc/30/72/04/234307204.db2.gz BDQCBZQQIYLVQP-SNAWJCMRSA-N 1 0 321.402 1.773 20 5 DDBDRO CC(C)NC(=O)c1ccc(N2CCC[N@H+](C)CC2)c([N+](=O)[O-])c1 ZINC000073868125 353275083 /nfs/dbraw/zinc/27/50/83/353275083.db2.gz SUBJRKXUXJJKSM-UHFFFAOYSA-N 1 0 320.393 1.875 20 5 DDBDRO CC[C@H](CO)[NH+]1CCN(Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000075962710 353387950 /nfs/dbraw/zinc/38/79/50/353387950.db2.gz HTVRRANWBYCLDO-OAHLLOKOSA-N 1 0 307.394 1.792 20 5 DDBDRO C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)COc1ccccc1[N+](=O)[O-])C2 ZINC000174691159 198371117 /nfs/dbraw/zinc/37/11/17/198371117.db2.gz ZGXWAMBNGHPILU-QWHCGFSZSA-N 1 0 319.361 1.669 20 5 DDBDRO COCc1cc([N+](=O)[O-])ccc1N[C@H](C)CN1CC[NH+](C)CC1 ZINC000080617564 353618460 /nfs/dbraw/zinc/61/84/60/353618460.db2.gz MYEWIOCWPGOCNU-CYBMUJFWSA-N 1 0 322.409 1.789 20 5 DDBDRO O=[N+]([O-])c1ccccc1OCC[NH+]1CCC(c2nnc[nH]2)CC1 ZINC000083446099 353710707 /nfs/dbraw/zinc/71/07/07/353710707.db2.gz YYFAEQKMADVBOF-UHFFFAOYSA-N 1 0 317.349 1.971 20 5 DDBDRO O=[N+]([O-])c1cnc2ccc(N3CCC[C@H]([NH+]4CCCC4)C3)nn21 ZINC000091453503 353826740 /nfs/dbraw/zinc/82/67/40/353826740.db2.gz NSPXOLKCIXWXBR-LBPRGKRZSA-N 1 0 316.365 1.702 20 5 DDBDRO CC[C@H](CO)[NH+]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000093739810 353904813 /nfs/dbraw/zinc/90/48/13/353904813.db2.gz GHIUXUQVNRVYPE-BIENSFFJSA-N 1 0 319.405 1.997 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H]1C[NH+](C)C ZINC000277075757 213276576 /nfs/dbraw/zinc/27/65/76/213276576.db2.gz KBQAEQJZXXIINV-LBPRGKRZSA-N 1 0 307.350 1.770 20 5 DDBDRO CCC([NH3+])(CC)CNC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000236759380 201996802 /nfs/dbraw/zinc/99/68/02/201996802.db2.gz STMQJYXAAMFTHR-UHFFFAOYSA-N 1 0 308.382 1.665 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000277039162 213257256 /nfs/dbraw/zinc/25/72/56/213257256.db2.gz HBIMQNHJZWFVRB-FZMZJTMJSA-N 1 0 319.361 1.770 20 5 DDBDRO COC(=O)[C@@H]1C[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C[C@H]1C ZINC000280236218 354420780 /nfs/dbraw/zinc/42/07/80/354420780.db2.gz KEGHMGBPNXBHIL-ZYHUDNBSSA-N 1 0 308.334 1.844 20 5 DDBDRO Cn1c(C(=O)N2CCC[C@H]([C@H]3CCC[NH2+]3)C2)ccc1[N+](=O)[O-] ZINC000314578268 354486118 /nfs/dbraw/zinc/48/61/18/354486118.db2.gz PCNUMQPQKIYAJL-NWDGAFQWSA-N 1 0 306.366 1.538 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000318151159 354514430 /nfs/dbraw/zinc/51/44/30/354514430.db2.gz QHIJBKANNFSZHH-UHFFFAOYSA-N 1 0 300.318 1.467 20 5 DDBDRO CNc1c(C(=O)N2CC[C@H]([NH+](C)C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000319205898 354519917 /nfs/dbraw/zinc/51/99/17/354519917.db2.gz FOLLBEZDXTXJDJ-PWSUYJOCSA-N 1 0 306.366 1.801 20 5 DDBDRO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000319335457 354521115 /nfs/dbraw/zinc/52/11/15/354521115.db2.gz PHYHWXIHIYFEOO-BBRMVZONSA-N 1 0 303.362 1.725 20 5 DDBDRO C[C@H](C[NH+](C)C)NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000346231979 283035573 /nfs/dbraw/zinc/03/55/73/283035573.db2.gz USFLSFAUJMNCCJ-LLVKDONJSA-N 1 0 317.349 1.460 20 5 DDBDRO CN(CC1([NH+](C)C)CCC1)c1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000588027546 354895603 /nfs/dbraw/zinc/89/56/03/354895603.db2.gz WVXPGTKZMAMZRA-UHFFFAOYSA-N 1 0 308.382 1.590 20 5 DDBDRO CC[N@@H+]1CCC[C@@H](Nc2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])C1 ZINC000587416338 354882662 /nfs/dbraw/zinc/88/26/62/354882662.db2.gz XSIYIENJPXOHHK-LLVKDONJSA-N 1 0 322.365 1.981 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H](CO)C[NH+](C)C ZINC000588866932 354944357 /nfs/dbraw/zinc/94/43/57/354944357.db2.gz TWVVUYQWMKRYEX-LBPRGKRZSA-N 1 0 309.366 1.172 20 5 DDBDRO Cc1cccc(C(=O)N2CC[C@@H]([N@@H+]3CC[C@H](O)C3)C2)c1[N+](=O)[O-] ZINC000588863636 354944606 /nfs/dbraw/zinc/94/46/06/354944606.db2.gz SGMITZDFPYJMLW-OLZOCXBDSA-N 1 0 319.361 1.184 20 5 DDBDRO C[N@@H+]1C[C@@H]2CCN(Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)[C@@H]2C1 ZINC000590012854 355041551 /nfs/dbraw/zinc/04/15/51/355041551.db2.gz ZWWMMEGCKZHOJH-IINYFYTJSA-N 1 0 301.350 1.607 20 5 DDBDRO O=[N+]([O-])c1ccc(OCCC[NH2+][C@@H](CO)[C@H]2CCCOC2)cc1 ZINC000591048595 355238522 /nfs/dbraw/zinc/23/85/22/355238522.db2.gz GFTJVVGJFYSJHW-BBRMVZONSA-N 1 0 324.377 1.741 20 5 DDBDRO Cc1c(CNC(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)cccc1[N+](=O)[O-] ZINC000591357069 355299147 /nfs/dbraw/zinc/29/91/47/355299147.db2.gz WLZITCJXHIRUJF-BXUZGUMPSA-N 1 0 322.365 1.161 20 5 DDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000591444789 355313144 /nfs/dbraw/zinc/31/31/44/355313144.db2.gz WNNUSLWNTVDOJI-STQMWFEESA-N 1 0 307.398 1.946 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000591448197 355313661 /nfs/dbraw/zinc/31/36/61/355313661.db2.gz HATGQEXCPGDHKU-QWHCGFSZSA-N 1 0 318.377 1.526 20 5 DDBDRO O=C(CCN1CC[C@H]2CC[NH2+][C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000591448650 355313743 /nfs/dbraw/zinc/31/37/43/355313743.db2.gz LPSOTZJENGHOGS-IUODEOHRSA-N 1 0 318.377 1.607 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(CN(C)C[C@H]2CCC[N@@H+]2C)c1 ZINC000591505415 355322283 /nfs/dbraw/zinc/32/22/83/355322283.db2.gz HWYJHODJVYIEAQ-CQSZACIVSA-N 1 0 321.377 1.907 20 5 DDBDRO COc1ccc(CC(=O)N[C@H](C[NH3+])C(C)(C)C)cc1[N+](=O)[O-] ZINC000591585128 355330832 /nfs/dbraw/zinc/33/08/32/355330832.db2.gz FLYVUIJVXKIYLC-CYBMUJFWSA-N 1 0 309.366 1.636 20 5 DDBDRO C[C@H]1CCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@H]1C[NH3+] ZINC000591284732 355278458 /nfs/dbraw/zinc/27/84/58/355278458.db2.gz CMEHVFOSQNUROC-WCQYABFASA-N 1 0 321.377 1.783 20 5 DDBDRO CC[C@H]1CN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000591304000 355285597 /nfs/dbraw/zinc/28/55/97/355285597.db2.gz JIXSJYMQHDTUEL-GWCFXTLKSA-N 1 0 320.349 1.119 20 5 DDBDRO Cc1ccc(NC(=O)C(=O)N2CCC(C)([NH3+])CC2)cc1[N+](=O)[O-] ZINC000591303634 355285835 /nfs/dbraw/zinc/28/58/35/355285835.db2.gz YVOACUIVJIVDFH-UHFFFAOYSA-N 1 0 320.349 1.182 20 5 DDBDRO CC1(C)C[NH2+]CCN1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000591678394 355359854 /nfs/dbraw/zinc/35/98/54/355359854.db2.gz SNLUDYLFYYOOCI-UHFFFAOYSA-N 1 0 309.391 1.897 20 5 DDBDRO O=C(c1n[nH]cc1[N+](=O)[O-])N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592254912 355547603 /nfs/dbraw/zinc/54/76/03/355547603.db2.gz LPWKTFZPCGNSGA-WDEREUQCSA-N 1 0 307.354 1.170 20 5 DDBDRO CNc1ccc(C(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000592298368 355553905 /nfs/dbraw/zinc/55/39/05/355553905.db2.gz JCWULDWPXYMUAA-HZMBPMFUSA-N 1 0 306.366 1.836 20 5 DDBDRO CC[C@@H]1CN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC[C@H]1[NH3+] ZINC000592330887 355560464 /nfs/dbraw/zinc/56/04/64/355560464.db2.gz DWZOGYRVIZXQNX-BXUZGUMPSA-N 1 0 307.350 1.559 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CC2(CCO)CC2)c1 ZINC000592432830 355582910 /nfs/dbraw/zinc/58/29/10/355582910.db2.gz WSKYPKTXASDHSC-CYBMUJFWSA-N 1 0 310.350 1.087 20 5 DDBDRO CCc1ccc(S(=O)(=O)NCC[NH2+]C2CC2)cc1[N+](=O)[O-] ZINC000592367160 355568423 /nfs/dbraw/zinc/56/84/23/355568423.db2.gz WTIBOYGKOPKKIJ-UHFFFAOYSA-N 1 0 313.379 1.188 20 5 DDBDRO C[C@@H]1CN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC[C@H]1[NH3+] ZINC000592427679 355580463 /nfs/dbraw/zinc/58/04/63/355580463.db2.gz PPRAOPDABQAEGX-ZYHUDNBSSA-N 1 0 307.350 1.535 20 5 DDBDRO [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000592567236 355631207 /nfs/dbraw/zinc/63/12/07/355631207.db2.gz IREBEEUXBHQNRQ-CQSZACIVSA-N 1 0 300.318 1.621 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)C2(CO)CCC2)c1 ZINC000593030718 355775551 /nfs/dbraw/zinc/77/55/51/355775551.db2.gz PVQGZLCQNCYMLF-UHFFFAOYSA-N 1 0 308.334 1.728 20 5 DDBDRO NC(=O)c1ccc(C[NH+]2CCC(C3(O)CC3)CC2)c([N+](=O)[O-])c1 ZINC000593049257 355779400 /nfs/dbraw/zinc/77/94/00/355779400.db2.gz JIVRIHVMDZBMLI-UHFFFAOYSA-N 1 0 319.361 1.431 20 5 DDBDRO CC[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000593071885 355787538 /nfs/dbraw/zinc/78/75/38/355787538.db2.gz VMYXVCQUPFIUKS-ZIAGYGMSSA-N 1 0 324.377 1.835 20 5 DDBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)Cc3ccc(F)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000593588732 355935394 /nfs/dbraw/zinc/93/53/94/355935394.db2.gz LXBKQCNUTCIOFL-XHDPSFHLSA-N 1 0 321.352 1.829 20 5 DDBDRO [NH3+]CC1(CCNC(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 ZINC000593708709 355973610 /nfs/dbraw/zinc/97/36/10/355973610.db2.gz LNGNKZMEHBJJKK-UHFFFAOYSA-N 1 0 306.366 1.566 20 5 DDBDRO [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000593728085 355977281 /nfs/dbraw/zinc/97/72/81/355977281.db2.gz ZIYKMBQANFIBOY-ZBFHGGJFSA-N 1 0 321.377 1.629 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]1CC(=O)N(CC)C1 ZINC000593691101 355968838 /nfs/dbraw/zinc/96/88/38/355968838.db2.gz ZREMJGTXEWJMGI-LBPRGKRZSA-N 1 0 321.377 1.952 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000593903624 356049970 /nfs/dbraw/zinc/04/99/70/356049970.db2.gz IISLAMIOLZMUTA-ZIAGYGMSSA-N 1 0 319.361 1.750 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCCCC[C@@H]2CO)c1 ZINC000594014450 356086955 /nfs/dbraw/zinc/08/69/55/356086955.db2.gz DSXLYSZZRUDDDH-CABCVRRESA-N 1 0 324.377 1.571 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@@H](OC3CCC3)C2)c1 ZINC000594027793 356093783 /nfs/dbraw/zinc/09/37/83/356093783.db2.gz ZVFYKPXMTXZKLD-UKRRQHHQSA-N 1 0 324.381 1.186 20 5 DDBDRO COC(=O)c1cnc(NC[C@H]2C[C@@H]([NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000594591812 356258671 /nfs/dbraw/zinc/25/86/71/356258671.db2.gz LTDDXHQEMADQCI-JGZJWPJOSA-N 1 0 308.338 1.529 20 5 DDBDRO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NC[C@H]1CCC[NH2+]C1 ZINC000594626862 356268361 /nfs/dbraw/zinc/26/83/61/356268361.db2.gz UBIOHGPPKORNEH-NSHDSACASA-N 1 0 316.361 1.734 20 5 DDBDRO [NH3+][C@H](c1cn(Cc2ccc([N+](=O)[O-])cc2)nn1)[C@H]1CCCO1 ZINC000594651258 356274796 /nfs/dbraw/zinc/27/47/96/356274796.db2.gz HADZSFNSHWFPIN-ZIAGYGMSSA-N 1 0 303.322 1.413 20 5 DDBDRO C[C@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])[C@H]1CN(C)CCO1 ZINC000594503445 356238414 /nfs/dbraw/zinc/23/84/14/356238414.db2.gz WPPDNACTMDYSLI-HZUKXOBISA-N 1 0 305.378 1.891 20 5 DDBDRO Cc1cc(S(=O)(=O)NCC[C@H](C)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000594817226 356326472 /nfs/dbraw/zinc/32/64/72/356326472.db2.gz PHJVJUCSQIHXQA-NSHDSACASA-N 1 0 315.395 1.522 20 5 DDBDRO O=C1NCC[C@@H]1[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000595054271 356376883 /nfs/dbraw/zinc/37/68/83/356376883.db2.gz OTRYKCALMVFXKM-XBFCOCLRSA-N 1 0 303.362 1.784 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000601334046 358502699 /nfs/dbraw/zinc/50/26/99/358502699.db2.gz WITLGXDYIJIIAE-WBMJQRKESA-N 1 0 318.377 1.573 20 5 DDBDRO Cc1ccc(C)c(S(=O)(=O)N(C)CC(C)(C)[NH3+])c1[N+](=O)[O-] ZINC000595116544 356384574 /nfs/dbraw/zinc/38/45/74/356384574.db2.gz RQBHRWJYMPDMCX-UHFFFAOYSA-N 1 0 315.395 1.569 20 5 DDBDRO CN(CC(C)(C)[NH3+])S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000595116696 356384853 /nfs/dbraw/zinc/38/48/53/356384853.db2.gz YMJZJVOHMRTYOZ-UHFFFAOYSA-N 1 0 321.786 1.606 20 5 DDBDRO [NH3+][C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC[C@H]1F ZINC000595261373 356424464 /nfs/dbraw/zinc/42/44/64/356424464.db2.gz YEGBGWRLDIDGKC-VXGBXAGGSA-N 1 0 318.308 1.654 20 5 DDBDRO [NH3+][C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC[C@H]1F ZINC000595261159 356424681 /nfs/dbraw/zinc/42/46/81/356424681.db2.gz TYYHUZACIHRWSQ-VXGBXAGGSA-N 1 0 315.732 1.688 20 5 DDBDRO CC(C)(CO)[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1cccnc1 ZINC000595502606 356521774 /nfs/dbraw/zinc/52/17/74/356521774.db2.gz ZZGGZKJJCWENSP-CQSZACIVSA-N 1 0 319.365 1.536 20 5 DDBDRO CNC(=O)[C@H](C)C[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000081579336 192296011 /nfs/dbraw/zinc/29/60/11/192296011.db2.gz VVPQGLAFBZTBPJ-LLVKDONJSA-N 1 0 322.365 1.237 20 5 DDBDRO Cc1cc(S(=O)(=O)NC[C@@H](C)C[NH3+])c(C)cc1[N+](=O)[O-] ZINC000565245229 304057682 /nfs/dbraw/zinc/05/76/82/304057682.db2.gz KIQBCLFFAFSMFT-QMMMGPOBSA-N 1 0 301.368 1.085 20 5 DDBDRO COC[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1cccc(OC)c1 ZINC000595684854 356610016 /nfs/dbraw/zinc/61/00/16/356610016.db2.gz QVRZXNNEQHJNCW-AWEZNQCLSA-N 1 0 320.349 1.777 20 5 DDBDRO C[C@@H](O)[C@H]1CCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000595766945 356644341 /nfs/dbraw/zinc/64/43/41/356644341.db2.gz SRMXFKSCLOKGED-BXUZGUMPSA-N 1 0 307.350 1.769 20 5 DDBDRO C[N@@H+](CC1=CCCOC1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000595753717 356637752 /nfs/dbraw/zinc/63/77/52/356637752.db2.gz SSAOVNHCALRLBL-HNNXBMFYSA-N 1 0 322.361 1.613 20 5 DDBDRO C[C@@H]1CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000595783354 356650899 /nfs/dbraw/zinc/65/08/99/356650899.db2.gz MWDYWEXGRXMKMX-IPYPFGDCSA-N 1 0 324.377 1.834 20 5 DDBDRO C[C@]12COC[C@H]1C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C2 ZINC000595759906 356641052 /nfs/dbraw/zinc/64/10/52/356641052.db2.gz QVYOBNCNFLYFCW-WBMJQRKESA-N 1 0 319.361 1.892 20 5 DDBDRO [NH3+]C[C@H]1CCc2ccccc2N1CCn1ccc([N+](=O)[O-])n1 ZINC000595903484 356699302 /nfs/dbraw/zinc/69/93/02/356699302.db2.gz UZEUHEHYFZKQJZ-CYBMUJFWSA-N 1 0 301.350 1.571 20 5 DDBDRO CC[C@@H]([NH2+]C)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000595921089 356705621 /nfs/dbraw/zinc/70/56/21/356705621.db2.gz STYHFNDIBKQPII-GFCCVEGCSA-N 1 0 306.366 1.241 20 5 DDBDRO O=C(NCCNc1ccc([N+](=O)[O-])cc1)C1([NH2+]C2CC2)CCC1 ZINC000595922799 356705762 /nfs/dbraw/zinc/70/57/62/356705762.db2.gz LBMRLQMEIVFJEK-UHFFFAOYSA-N 1 0 318.377 1.798 20 5 DDBDRO O=C(NCCNc1ccccc1[N+](=O)[O-])C1([NH2+]C2CC2)CCC1 ZINC000595923498 356706183 /nfs/dbraw/zinc/70/61/83/356706183.db2.gz XONRWOLWXMRWMS-UHFFFAOYSA-N 1 0 318.377 1.798 20 5 DDBDRO CC[C@@H]([NH2+]C)C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000595925096 356707312 /nfs/dbraw/zinc/70/73/12/356707312.db2.gz RQQYRGQVVZGIMV-ZYHUDNBSSA-N 1 0 307.354 1.001 20 5 DDBDRO C[C@@]1(NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[NH2+]C1 ZINC000596048025 356753095 /nfs/dbraw/zinc/75/30/95/356753095.db2.gz DGQJRBOJHCQSEL-LLVKDONJSA-N 1 0 319.770 1.279 20 5 DDBDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1nccn1C ZINC000596071055 356761911 /nfs/dbraw/zinc/76/19/11/356761911.db2.gz WXGPLUSIMUMSOR-VXGBXAGGSA-N 1 0 320.349 1.419 20 5 DDBDRO CN(c1ccc([N+](=O)[O-])c(C(N)=O)c1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000596119882 356780292 /nfs/dbraw/zinc/78/02/92/356780292.db2.gz DMEBYVKOUUGEAA-GFCCVEGCSA-N 1 0 304.350 1.367 20 5 DDBDRO CCn1nccc1C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000596071494 356762169 /nfs/dbraw/zinc/76/21/69/356762169.db2.gz ZYPFDRDLNKZUIF-CYBMUJFWSA-N 1 0 320.349 1.341 20 5 DDBDRO NC(=O)c1cc(N2CCC[C@H]([NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000596083260 356766796 /nfs/dbraw/zinc/76/67/96/356766796.db2.gz RFUVAYFMUIPSER-ZDUSSCGKSA-N 1 0 318.377 1.758 20 5 DDBDRO O=[N+]([O-])c1cc2c(cc1CNCC13CC(C1)C[NH2+]3)OCCO2 ZINC000596106003 356773803 /nfs/dbraw/zinc/77/38/03/356773803.db2.gz OQPNZINWZVCVPI-UHFFFAOYSA-N 1 0 305.334 1.208 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000237189988 202183582 /nfs/dbraw/zinc/18/35/82/202183582.db2.gz GXMGXNGTZUBHQN-WDEREUQCSA-N 1 0 307.350 1.803 20 5 DDBDRO Cc1cc(N2CCC(CO)([NH2+]C(C)C)CC2)ncc1[N+](=O)[O-] ZINC000596251429 356833349 /nfs/dbraw/zinc/83/33/49/356833349.db2.gz SUQONBCIVVDKAK-UHFFFAOYSA-N 1 0 308.382 1.628 20 5 DDBDRO COc1cc(N2C[C@H](O)[C@@H]([NH+](C)C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596242032 356829868 /nfs/dbraw/zinc/82/98/68/356829868.db2.gz OBCUGDCSCBONNO-RYUDHWBXSA-N 1 0 315.757 1.368 20 5 DDBDRO O=[N+]([O-])c1cnccc1N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000596269020 356838871 /nfs/dbraw/zinc/83/88/71/356838871.db2.gz QRJIXNGUGVJQPR-UHFFFAOYSA-N 1 0 306.366 1.681 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N(C)CC1C[NH+](C)C1 ZINC000596626081 356935831 /nfs/dbraw/zinc/93/58/31/356935831.db2.gz ZOUDCNNOYDLSSN-UHFFFAOYSA-N 1 0 308.338 1.629 20 5 DDBDRO C[C@@H]1C[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@]1(C)CO ZINC000597237037 357105859 /nfs/dbraw/zinc/10/58/59/357105859.db2.gz VZCDNDMKWCXXHT-BDJLRTHQSA-N 1 0 322.361 1.816 20 5 DDBDRO Cc1ccc(CN(CC[NH+](C)C)CC(=O)N(C)C)cc1[N+](=O)[O-] ZINC000597204085 357091742 /nfs/dbraw/zinc/09/17/42/357091742.db2.gz DESSTNIOUZKVIW-UHFFFAOYSA-N 1 0 322.409 1.355 20 5 DDBDRO C[NH+](C)[C@@H](CNC(=O)Cn1nccc1[N+](=O)[O-])c1ccccc1 ZINC000178465827 198872434 /nfs/dbraw/zinc/87/24/34/198872434.db2.gz FIKPPDINAWUWIB-ZDUSSCGKSA-N 1 0 317.349 1.210 20 5 DDBDRO CC[C@@H]1CN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C[C@H](C)[NH2+]1 ZINC000598531248 357622996 /nfs/dbraw/zinc/62/29/96/357622996.db2.gz GPRHMMCQFKNRAZ-GXSJLCMTSA-N 1 0 321.333 1.536 20 5 DDBDRO CC[C@@H](C)[NH+]1CCN(c2nccc(C(=O)OC)c2[N+](=O)[O-])CC1 ZINC000598632268 357662558 /nfs/dbraw/zinc/66/25/58/357662558.db2.gz CQKSJKHDZCXIBW-LLVKDONJSA-N 1 0 322.365 1.697 20 5 DDBDRO CC1(C)CC[C@@H](CO)[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000598648161 357669337 /nfs/dbraw/zinc/66/93/37/357669337.db2.gz OETAJHAZPZCUBO-ZDUSSCGKSA-N 1 0 321.377 1.677 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000598559448 357632116 /nfs/dbraw/zinc/63/21/16/357632116.db2.gz HQSZQOOYZSSJRQ-GFCCVEGCSA-N 1 0 321.381 1.180 20 5 DDBDRO CC(C)[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC[NH2+]1 ZINC000598574752 357637835 /nfs/dbraw/zinc/63/78/35/357637835.db2.gz SXOKGDHNVXEBFJ-NSHDSACASA-N 1 0 310.329 1.386 20 5 DDBDRO CC(=O)N1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000598679668 357683864 /nfs/dbraw/zinc/68/38/64/357683864.db2.gz KUVSOBHFGWOELM-MGPQQGTHSA-N 1 0 321.381 1.485 20 5 DDBDRO NC(=O)c1ccc(CN2C[C@H]3CCC[C@@]3([NH3+])C2)c([N+](=O)[O-])c1 ZINC000598682860 357686025 /nfs/dbraw/zinc/68/60/25/357686025.db2.gz PLKQORNTRYKQFD-IUODEOHRSA-N 1 0 304.350 1.007 20 5 DDBDRO COc1ccc(F)c(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000598729997 357706910 /nfs/dbraw/zinc/70/69/10/357706910.db2.gz QKKTWAMTRUECPC-GFCCVEGCSA-N 1 0 324.312 1.090 20 5 DDBDRO CCN(CC[NH3+])S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000599098104 357814940 /nfs/dbraw/zinc/81/49/40/357814940.db2.gz BUYSSTXWVJDWNX-UHFFFAOYSA-N 1 0 324.362 1.112 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000599105672 357817713 /nfs/dbraw/zinc/81/77/13/357817713.db2.gz PNMYRBOILOOHHG-WDEREUQCSA-N 1 0 313.379 1.322 20 5 DDBDRO Cc1ccc(S(=O)(=O)N[C@@H]2CC[NH2+][C@H]2C)c(C)c1[N+](=O)[O-] ZINC000599110872 357818289 /nfs/dbraw/zinc/81/82/89/357818289.db2.gz BWJCPSHTJLMGLT-WDEREUQCSA-N 1 0 313.379 1.240 20 5 DDBDRO O=[N+]([O-])c1cc2c(ncnc2NCC[N@H+]2CC[C@@H](O)C2)s1 ZINC000599175671 357840403 /nfs/dbraw/zinc/84/04/03/357840403.db2.gz HJORLFBIMJVBEM-MRVPVSSYSA-N 1 0 309.351 1.078 20 5 DDBDRO COc1ccc(NC(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)cc1[N+](=O)[O-] ZINC000599603040 357989513 /nfs/dbraw/zinc/98/95/13/357989513.db2.gz DDEDVORQHZBGPF-GXSJLCMTSA-N 1 0 308.338 1.865 20 5 DDBDRO COC(=O)[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)[C@@H]2CCC[C@@H]21 ZINC000599659045 358012629 /nfs/dbraw/zinc/01/26/29/358012629.db2.gz OAXNDBFFFKBLNB-MGPQQGTHSA-N 1 0 322.365 1.455 20 5 DDBDRO Cc1c(NC(=O)[C@@H](C)[N@H+](C)C[C@H]2C[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC000599672296 358018718 /nfs/dbraw/zinc/01/87/18/358018718.db2.gz KXPMNOGLFJGYCA-UPJWGTAASA-N 1 0 321.377 1.933 20 5 DDBDRO COc1ccc([C@@H]([NH2+]CCn2ccc([N+](=O)[O-])n2)C2CC2)cn1 ZINC000599697936 358030699 /nfs/dbraw/zinc/03/06/99/358030699.db2.gz IYVYZHGQXWBIIU-HNNXBMFYSA-N 1 0 317.349 1.936 20 5 DDBDRO C[N@@H+]1CCCC[C@@H](CNC(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000600309539 358192202 /nfs/dbraw/zinc/19/22/02/358192202.db2.gz BMYDQAAVCHGWBL-ZDUSSCGKSA-N 1 0 321.377 1.822 20 5 DDBDRO Cc1nn(C)c(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)c1[N+](=O)[O-] ZINC000600469400 358232532 /nfs/dbraw/zinc/23/25/32/358232532.db2.gz AOGPSJJDHMVSDC-LBPRGKRZSA-N 1 0 321.381 1.383 20 5 DDBDRO CCc1n[nH]c(C(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)c1[N+](=O)[O-] ZINC000600474539 358234684 /nfs/dbraw/zinc/23/46/84/358234684.db2.gz XZYSGZMTLAOBHS-LLVKDONJSA-N 1 0 321.381 1.627 20 5 DDBDRO COCC[N@H+](C)CCCNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000600996141 358375115 /nfs/dbraw/zinc/37/51/15/358375115.db2.gz VJVCZFZCXHJOQT-UHFFFAOYSA-N 1 0 313.329 1.432 20 5 DDBDRO CN1CCCC[C@@H]([N@H+](C)CCOc2ccc([N+](=O)[O-])cc2)C1=O ZINC000601967818 358757658 /nfs/dbraw/zinc/75/76/58/358757658.db2.gz CJFWRDNVWXVBGK-OAHLLOKOSA-N 1 0 321.377 1.916 20 5 DDBDRO C[N@@H+]1CC[C@@H](CC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000602145618 358845291 /nfs/dbraw/zinc/84/52/91/358845291.db2.gz ZSLXXUWNDQUUFC-LBPRGKRZSA-N 1 0 319.361 1.526 20 5 DDBDRO COCCCC[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602513686 359021572 /nfs/dbraw/zinc/02/15/72/359021572.db2.gz GLWPIYNHLXZAMV-UHFFFAOYSA-N 1 0 308.382 1.975 20 5 DDBDRO C[NH2+]C[C@H](C)NC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000602533474 359031736 /nfs/dbraw/zinc/03/17/36/359031736.db2.gz HJYCPGONVGXNKC-ZETCQYMHSA-N 1 0 316.155 1.695 20 5 DDBDRO COC[C@]1(C(=O)NCCc2ccccc2[N+](=O)[O-])CCCC[NH2+]1 ZINC000602457695 358990456 /nfs/dbraw/zinc/99/04/56/358990456.db2.gz IWBMAJJQGIRQKM-INIZCTEOSA-N 1 0 321.377 1.412 20 5 DDBDRO CC(C)(C[NH2+]CCc1ccc([N+](=O)[O-])cc1)N1CCOCC1 ZINC000602504467 359017367 /nfs/dbraw/zinc/01/73/67/359017367.db2.gz QOERMVBEFPMDLC-UHFFFAOYSA-N 1 0 307.394 1.838 20 5 DDBDRO CC[C@@H](O)CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602577244 359052033 /nfs/dbraw/zinc/05/20/33/359052033.db2.gz RLAXLAKZHJAVCQ-CQSZACIVSA-N 1 0 308.382 1.709 20 5 DDBDRO CC[C@@](C)(CO)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602594500 359061011 /nfs/dbraw/zinc/06/10/11/359061011.db2.gz XYNJWUHOHKXRQQ-HNNXBMFYSA-N 1 0 308.382 1.709 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CCN1CCc2ccc(O)cc2C1 ZINC000602794833 359196249 /nfs/dbraw/zinc/19/62/49/359196249.db2.gz PQZWEJHSNHKFOA-UHFFFAOYSA-N 1 0 302.334 1.864 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+](CCCO)Cc1ccccc1 ZINC000602786882 359191823 /nfs/dbraw/zinc/19/18/23/359191823.db2.gz WXGBYJRVEXDKJM-UHFFFAOYSA-N 1 0 318.377 1.984 20 5 DDBDRO C[C@@H]1CC[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CS1(=O)=O ZINC000602712511 359142588 /nfs/dbraw/zinc/14/25/88/359142588.db2.gz YWZKBMQYHYJFBD-YPMHNXCESA-N 1 0 312.391 1.693 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCC[C@@H]1N1CC[C@H](O)C1 ZINC000602733346 359155308 /nfs/dbraw/zinc/15/53/08/359155308.db2.gz BGKQDYINYQPCSE-BBWFWOEESA-N 1 0 319.405 1.981 20 5 DDBDRO CCCNC(=O)C[N@H+](CCC)CCn1c(C)ncc1[N+](=O)[O-] ZINC000602767660 359176957 /nfs/dbraw/zinc/17/69/57/359176957.db2.gz VFWBGFPAVCZGRH-UHFFFAOYSA-N 1 0 311.386 1.338 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC=C(c2ccnn2C)CC1 ZINC000602832928 359225164 /nfs/dbraw/zinc/22/51/64/359225164.db2.gz TWXWAJKVJKLEPH-UHFFFAOYSA-N 1 0 316.365 1.623 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)[C@@H]1CCCc2c1cnn2C ZINC000602802068 359202142 /nfs/dbraw/zinc/20/21/42/359202142.db2.gz SPTKQVVSPTUVFO-CYBMUJFWSA-N 1 0 318.381 1.843 20 5 DDBDRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2CCn1c(C)ncc1[N+](=O)[O-] ZINC000602829544 359220949 /nfs/dbraw/zinc/22/09/49/359220949.db2.gz LKQKWCGMQAZJOW-SZWZKDINSA-N 1 0 306.366 1.455 20 5 DDBDRO CC(=O)NCC[C@@H]1CCC[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602831816 359223901 /nfs/dbraw/zinc/22/39/01/359223901.db2.gz IFZYVOBZDNMMJN-AWEZNQCLSA-N 1 0 323.397 1.338 20 5 DDBDRO CC1(C)CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H]1c1ccco1 ZINC000602928004 359298749 /nfs/dbraw/zinc/29/87/49/359298749.db2.gz VJCRVTDUNVVFBU-JSGCOSHPSA-N 1 0 320.349 1.828 20 5 DDBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)Nc2c(C)cncc2[N+](=O)[O-])C[C@@H]1C ZINC000602952565 359318421 /nfs/dbraw/zinc/31/84/21/359318421.db2.gz NPJYSFWTXFODPX-NWDGAFQWSA-N 1 0 321.381 1.667 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC=C(c2cnn(C)c2)C1 ZINC000602883213 359266909 /nfs/dbraw/zinc/26/69/09/359266909.db2.gz PDDHYDXRRJERFP-UHFFFAOYSA-N 1 0 316.365 1.623 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@@H](C)[C@H]2CO)c1 ZINC000602990052 359342438 /nfs/dbraw/zinc/34/24/38/359342438.db2.gz HVMUNFDTLHIJEE-IAQYHMDHSA-N 1 0 322.361 1.974 20 5 DDBDRO Cc1c(CC(=O)N(C)CC[N@H+](C)C2CC2)cccc1[N+](=O)[O-] ZINC000186805236 200014029 /nfs/dbraw/zinc/01/40/29/200014029.db2.gz BFAONSLHBRFTNQ-UHFFFAOYSA-N 1 0 305.378 1.998 20 5 DDBDRO CN(CCC[N@H+](C)Cc1ccncc1)c1c([N+](=O)[O-])ncn1C ZINC000603399712 359616584 /nfs/dbraw/zinc/61/65/84/359616584.db2.gz IGMKTBKMIAUKHV-UHFFFAOYSA-N 1 0 318.381 1.682 20 5 DDBDRO COCC[C@@H](CO)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000603435197 359637997 /nfs/dbraw/zinc/63/79/97/359637997.db2.gz SPEIAZOGPJZKOE-JTQLQIEISA-N 1 0 320.292 1.683 20 5 DDBDRO O=C(c1ccc([N+](=O)[O-])o1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000604514756 359758992 /nfs/dbraw/zinc/75/89/92/359758992.db2.gz COAGOGNKHDZMDI-UHFFFAOYSA-N 1 0 302.290 1.545 20 5 DDBDRO Cc1ccc([C@@H](C)NC(=O)C[NH2+]C[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000237606665 202300475 /nfs/dbraw/zinc/30/04/75/202300475.db2.gz PYRVEXMZSZAJQT-OCCSQVGLSA-N 1 0 321.377 1.849 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CCC[NH2+]C2)c1C ZINC000237779556 202352382 /nfs/dbraw/zinc/35/23/82/202352382.db2.gz UBHQZQDMTFAOFS-LLVKDONJSA-N 1 0 313.379 1.242 20 5 DDBDRO [NH3+]C[C@H](NC(=O)COc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000423951643 283492068 /nfs/dbraw/zinc/49/20/68/283492068.db2.gz ZDZGDGFJTMMUDJ-LBPRGKRZSA-N 1 0 307.350 1.607 20 5 DDBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CCCn2cncn2)n1 ZINC000618572600 363678548 /nfs/dbraw/zinc/67/85/48/363678548.db2.gz AYJOLHBQMACQNB-STQMWFEESA-N 1 0 319.369 1.546 20 5 DDBDRO C[N@@H+]1CCC[C@@H](NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000609257614 360277196 /nfs/dbraw/zinc/27/71/96/360277196.db2.gz DPMJWPHMXFGZLZ-SNVBAGLBSA-N 1 0 302.334 1.900 20 5 DDBDRO CC[N@@H+]1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000609283848 360286539 /nfs/dbraw/zinc/28/65/39/360286539.db2.gz FREMKTLZMUTXFV-DZGCQCFKSA-N 1 0 323.393 1.361 20 5 DDBDRO COc1ccc(CC(=O)N(C)CCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000610473567 360445055 /nfs/dbraw/zinc/44/50/55/360445055.db2.gz GKQFRKVYQALRNQ-UHFFFAOYSA-N 1 0 323.393 1.946 20 5 DDBDRO Cc1cc(N2CCC[N@H+](C[C@@H]3CCCO3)CC2)ncc1[N+](=O)[O-] ZINC000610489195 360449384 /nfs/dbraw/zinc/44/93/84/360449384.db2.gz LSBXRSSWQOHHQG-AWEZNQCLSA-N 1 0 320.393 1.989 20 5 DDBDRO Cc1cnc(NCCCN2CCC[N@@H+](C)CC2)c([N+](=O)[O-])c1 ZINC000610284208 360408697 /nfs/dbraw/zinc/40/86/97/360408697.db2.gz NAFGJPJCIMZARU-UHFFFAOYSA-N 1 0 307.398 1.738 20 5 DDBDRO C[C@H]1C[C@@H](NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C[N@@H+]1C1CC1 ZINC000610654058 360492024 /nfs/dbraw/zinc/49/20/24/360492024.db2.gz GVVMHBIWPJJXLJ-WDEREUQCSA-N 1 0 321.381 1.268 20 5 DDBDRO CC[N@@H+]1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000611088226 360620258 /nfs/dbraw/zinc/62/02/58/360620258.db2.gz KHSBLFOABVWZON-ZDUSSCGKSA-N 1 0 320.393 1.949 20 5 DDBDRO [NH3+][C@@H]1CCC[C@H](CNC(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000417766892 283581821 /nfs/dbraw/zinc/58/18/21/283581821.db2.gz PSFYILSRVDDIQH-GXTWGEPZSA-N 1 0 320.393 1.954 20 5 DDBDRO C[NH+]1CC2(C1)CCN(C(=O)Cc1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000619251729 363945537 /nfs/dbraw/zinc/94/55/37/363945537.db2.gz NZWCYONSMSIQRD-UHFFFAOYSA-N 1 0 323.780 1.955 20 5 DDBDRO Cc1c(CC(=O)N2CCC3(C[NH+](C)C3)C2)cccc1[N+](=O)[O-] ZINC000619565839 364062726 /nfs/dbraw/zinc/06/27/26/364062726.db2.gz GJCJNHNRBQFHBE-UHFFFAOYSA-N 1 0 303.362 1.610 20 5 DDBDRO Cc1ccccc1OC[C@@H](O)C[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000566115189 304119979 /nfs/dbraw/zinc/11/99/79/304119979.db2.gz ONHXOAHZHTTZQQ-AWEZNQCLSA-N 1 0 320.349 1.129 20 5 DDBDRO O=C(COc1ccccc1[N+](=O)[O-])N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000435236986 283855207 /nfs/dbraw/zinc/85/52/07/283855207.db2.gz LMXBHDYJTXXTTK-LBPRGKRZSA-N 1 0 305.334 1.327 20 5 DDBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000566192098 304127032 /nfs/dbraw/zinc/12/70/32/304127032.db2.gz IDBPCMNFOHNLMR-QWRGUYRKSA-N 1 0 322.365 1.493 20 5 DDBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000288184243 220003803 /nfs/dbraw/zinc/00/38/03/220003803.db2.gz BSBPXEHBEWNVLH-DGCLKSJQSA-N 1 0 318.377 1.876 20 5 DDBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261715625 203099984 /nfs/dbraw/zinc/09/99/84/203099984.db2.gz GMAIHFVCWQQULP-GASCZTMLSA-N 1 0 317.389 1.985 20 5 DDBDRO COc1cc(C(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000261893984 203146114 /nfs/dbraw/zinc/14/61/14/203146114.db2.gz OBVWOAAQFSQUNP-VHSXEESVSA-N 1 0 323.349 1.482 20 5 DDBDRO C[C@H](NC(=O)[C@H]([NH3+])C1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000261899314 203147040 /nfs/dbraw/zinc/14/70/40/203147040.db2.gz WJRBMFGKOJNNGF-IINYFYTJSA-N 1 0 307.350 1.526 20 5 DDBDRO Nc1ncc([N+](=O)[O-])cc1C(=O)NCc1cn2ccccc2n1 ZINC000350105551 284148588 /nfs/dbraw/zinc/14/85/88/284148588.db2.gz PEPGSIABPBNUPH-UHFFFAOYSA-N 1 0 312.289 1.150 20 5 DDBDRO C[C@@H](C[NH3+])NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000262543664 203325613 /nfs/dbraw/zinc/32/56/13/203325613.db2.gz TVLGSEFUSNEZAL-LURJTMIESA-N 1 0 302.128 1.434 20 5 DDBDRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000262755517 203399518 /nfs/dbraw/zinc/39/95/18/203399518.db2.gz KGLLJZBUEJZSQQ-GXFFZTMASA-N 1 0 318.377 1.897 20 5 DDBDRO CCCc1n[nH]c(C(=O)NCC[N@@H+]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000264641015 204046349 /nfs/dbraw/zinc/04/63/49/204046349.db2.gz BWPBBGBLWYNIBY-LLVKDONJSA-N 1 0 323.397 1.875 20 5 DDBDRO O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000265497723 204655878 /nfs/dbraw/zinc/65/58/78/204655878.db2.gz HJYPRGLKULOYFO-LLVKDONJSA-N 1 0 322.365 1.154 20 5 DDBDRO CCN(CCC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000282723043 217202664 /nfs/dbraw/zinc/20/26/64/217202664.db2.gz BZUTXZCHJLBBJV-UHFFFAOYSA-N 1 0 312.345 1.730 20 5 DDBDRO CC[N@H+](C)CCNC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000183120794 284338090 /nfs/dbraw/zinc/33/80/90/284338090.db2.gz URVOVVWSZFOTNM-CQSZACIVSA-N 1 0 320.349 1.156 20 5 DDBDRO O=C1CC[C@@H]([NH2+]CCOc2cccc([N+](=O)[O-])c2)C2(CCC2)N1 ZINC000282775816 217242413 /nfs/dbraw/zinc/24/24/13/217242413.db2.gz METRMGSTKKYZKF-CQSZACIVSA-N 1 0 319.361 1.765 20 5 DDBDRO C[C@H]1c2ccsc2CC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266382010 205305051 /nfs/dbraw/zinc/30/50/51/205305051.db2.gz AYSUYPNZTOOVQW-CMPLNLGQSA-N 1 0 322.390 1.833 20 5 DDBDRO Cc1cc(C(=O)N[C@@H](CO)C[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000288403080 220135890 /nfs/dbraw/zinc/13/58/90/220135890.db2.gz GEEBCGYZTIHARJ-CQSZACIVSA-N 1 0 321.377 1.480 20 5 DDBDRO [NH3+][C@@H]1CCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000160257627 197395956 /nfs/dbraw/zinc/39/59/56/197395956.db2.gz QNURDKRJTNEEPO-SNVBAGLBSA-N 1 0 313.741 1.577 20 5 DDBDRO C[NH2+]CCCN(C)C(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000336852971 249258347 /nfs/dbraw/zinc/25/83/47/249258347.db2.gz BOTVDWCFLYJPBD-UHFFFAOYSA-N 1 0 311.338 1.294 20 5 DDBDRO C[C@@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCOC1 ZINC000274117924 211370770 /nfs/dbraw/zinc/37/07/70/211370770.db2.gz WPBHUJDBUXUFCO-VXGBXAGGSA-N 1 0 307.350 1.572 20 5 DDBDRO COc1ccc(NC(=O)C[NH2+][C@@H](C)[C@H](C)CO)c([N+](=O)[O-])c1 ZINC000274084196 211339309 /nfs/dbraw/zinc/33/93/09/211339309.db2.gz SOMHRNSMYCITHP-ZJUUUORDSA-N 1 0 311.338 1.148 20 5 DDBDRO O=C(CC[N@H+]1CC[C@@](F)(CO)C1)Nc1ccccc1[N+](=O)[O-] ZINC000338587148 250043123 /nfs/dbraw/zinc/04/31/23/250043123.db2.gz IGMGFEOVSRQURM-AWEZNQCLSA-N 1 0 311.313 1.330 20 5 DDBDRO CC(C)N1C[C@@H]([NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1=O ZINC000285057020 218272621 /nfs/dbraw/zinc/27/26/21/218272621.db2.gz IRPGCLITZKDWPO-PWSUYJOCSA-N 1 0 306.366 1.837 20 5 DDBDRO CC(C)C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)CC(N)=O ZINC000055901332 184000020 /nfs/dbraw/zinc/00/00/20/184000020.db2.gz UTOKOSYSVPEPJY-UHFFFAOYSA-N 1 0 309.366 1.807 20 5 DDBDRO C[NH2+][C@H]1CCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000269134900 207266163 /nfs/dbraw/zinc/26/61/63/207266163.db2.gz PVTHKPGPGFYWSK-VIFPVBQESA-N 1 0 316.317 1.283 20 5 DDBDRO COc1cc(C(=O)N2CC[C@H]([NH3+])[C@H](C)C2)cc([N+](=O)[O-])c1OC ZINC000269179306 207299699 /nfs/dbraw/zinc/29/96/99/207299699.db2.gz COUSUGXPWSNPLD-KOLCDFICSA-N 1 0 323.349 1.421 20 5 DDBDRO Cc1c(NC(=O)CC[N@@H+]2CCNC(=O)CC2)cccc1[N+](=O)[O-] ZINC000065955331 184383968 /nfs/dbraw/zinc/38/39/68/184383968.db2.gz CIWSBQVJSBZUFN-UHFFFAOYSA-N 1 0 320.349 1.054 20 5 DDBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000066126253 184391125 /nfs/dbraw/zinc/39/11/25/184391125.db2.gz FBXBEWGKCADHAP-SNVBAGLBSA-N 1 0 319.365 1.931 20 5 DDBDRO C[NH+](C)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000114400634 194653774 /nfs/dbraw/zinc/65/37/74/194653774.db2.gz SARYDGJCILGHQA-JTQLQIEISA-N 1 0 322.321 1.527 20 5 DDBDRO C[NH2+][C@H]1CCCN(C(=O)NCc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000417175775 533019533 /nfs/dbraw/zinc/01/95/33/533019533.db2.gz JIEZHKGNYXQNBF-LBPRGKRZSA-N 1 0 322.365 1.497 20 5 DDBDRO O=C(COc1ccccc1[N+](=O)[O-])N1CC[C@]2(CC[NH2+]C2)C1 ZINC000159186497 197334220 /nfs/dbraw/zinc/33/42/20/197334220.db2.gz SDBKVIZXYXUULQ-HNNXBMFYSA-N 1 0 305.334 1.186 20 5 DDBDRO C[NH+](C)C1CN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000158475154 197276608 /nfs/dbraw/zinc/27/66/08/197276608.db2.gz DCAGEAWZKXXVGP-UHFFFAOYSA-N 1 0 304.350 1.555 20 5 DDBDRO COCC[C@]1(C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)CC[NH2+]C1 ZINC000423724266 285184796 /nfs/dbraw/zinc/18/47/96/285184796.db2.gz MQZKWOVZTOOJPB-OAHLLOKOSA-N 1 0 323.349 1.558 20 5 DDBDRO COc1ccc(C[NH2+]C[C@](C)(O)CSC)cc1[N+](=O)[O-] ZINC000120681897 195215390 /nfs/dbraw/zinc/21/53/90/195215390.db2.gz DJHPSUVAKKRVOC-ZDUSSCGKSA-N 1 0 300.380 1.807 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CN1C[C@@H](C)[N@H+](CCO)C[C@H]1C ZINC000419317798 533220354 /nfs/dbraw/zinc/22/03/54/533220354.db2.gz APMDUYWKCNIWBP-CHWSQXEVSA-N 1 0 323.393 1.490 20 5 DDBDRO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451543171 533236735 /nfs/dbraw/zinc/23/67/35/533236735.db2.gz BDKDARNXQCSYSH-CMPLNLGQSA-N 1 0 320.349 1.358 20 5 DDBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000420345335 533327992 /nfs/dbraw/zinc/32/79/92/533327992.db2.gz AOHISBLMTHLHHP-FPMFFAJLSA-N 1 0 318.377 1.748 20 5 DDBDRO COc1ccc(CNC(=O)N2CC[NH2+][C@@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000417175999 533603130 /nfs/dbraw/zinc/60/31/30/533603130.db2.gz BRVNSOIQOAPCKG-QWRGUYRKSA-N 1 0 322.365 1.495 20 5 DDBDRO COc1cc(C(=O)N[C@@H]2CC[NH2+]C2(C)C)cc([N+](=O)[O-])c1OC ZINC000449752227 533548925 /nfs/dbraw/zinc/54/89/25/533548925.db2.gz MKTQSNUPVHCSPH-GFCCVEGCSA-N 1 0 323.349 1.482 20 5 DDBDRO COC(=O)COc1ccc(C[NH2+]CC2(C)COC2)cc1[N+](=O)[O-] ZINC000353762371 285913631 /nfs/dbraw/zinc/91/36/31/285913631.db2.gz FYTSDPGYLRUJNH-UHFFFAOYSA-N 1 0 324.333 1.273 20 5 DDBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@H](C)[NH3+])cc1SC ZINC000449594280 286248203 /nfs/dbraw/zinc/24/82/03/286248203.db2.gz XUSTVXAYUMXRQI-YUMQZZPRSA-N 1 0 313.379 1.791 20 5 DDBDRO O=C(NC[C@@H]1CCC[NH2+]1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000178716045 407561380 /nfs/dbraw/zinc/56/13/80/407561380.db2.gz MHNYYRAUDKYNPC-LBPRGKRZSA-N 1 0 315.333 1.262 20 5 DDBDRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000261641793 407566412 /nfs/dbraw/zinc/56/64/12/407566412.db2.gz DQIRUNGMKCDTKJ-NWDGAFQWSA-N 1 0 307.350 1.559 20 5 DDBDRO CC[NH+](CC)CCNC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000068227050 406625558 /nfs/dbraw/zinc/62/55/58/406625558.db2.gz PYPHIPICZMNQQF-UHFFFAOYSA-N 1 0 323.349 1.244 20 5 DDBDRO C[C@H]1CCCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])[C@@H]1C[NH3+] ZINC000070177460 406811787 /nfs/dbraw/zinc/81/17/87/406811787.db2.gz QIGRYEMXKVRTBS-CMPLNLGQSA-N 1 0 313.379 1.343 20 5 DDBDRO C[NH+](C)CCCNC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000071804561 406845023 /nfs/dbraw/zinc/84/50/23/406845023.db2.gz FZRROQHBTHFLSG-UHFFFAOYSA-N 1 0 308.382 1.855 20 5 DDBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccco1 ZINC000077221022 406980977 /nfs/dbraw/zinc/98/09/77/406980977.db2.gz UEQIFKWFWGHDFW-NSHDSACASA-N 1 0 303.318 1.982 20 5 DDBDRO O=C(c1ccc([N+](=O)[O-])o1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000048481771 407099307 /nfs/dbraw/zinc/09/93/07/407099307.db2.gz QDJRITYYFVVMCW-UHFFFAOYSA-N 1 0 323.349 1.372 20 5 DDBDRO C[C@H]([NH2+]Cc1cc(=O)n2nccc2[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000180399453 306694753 /nfs/dbraw/zinc/69/47/53/306694753.db2.gz GNSZXQDBOSXMFO-JTQLQIEISA-N 1 0 313.317 1.782 20 5 DDBDRO Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000091081888 407177368 /nfs/dbraw/zinc/17/73/68/407177368.db2.gz XRRSZGRJULLEGD-LBPRGKRZSA-N 1 0 304.354 1.968 20 5 DDBDRO CC(C)N(CCc1ccc([N+](=O)[O-])cc1)CCS(C)(=O)=O ZINC000122515429 407303774 /nfs/dbraw/zinc/30/37/74/407303774.db2.gz YQBFWTBKOWXWNC-UHFFFAOYSA-N 1 0 314.407 1.892 20 5 DDBDRO CN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H]1CCOC1 ZINC000106879715 407363755 /nfs/dbraw/zinc/36/37/55/407363755.db2.gz OHXOEHQTCPNIGI-GFCCVEGCSA-N 1 0 304.306 1.866 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC1(C[NH3+])CCCC1 ZINC000111832756 407417583 /nfs/dbraw/zinc/41/75/83/407417583.db2.gz KEVMHQQIEBIIOQ-UHFFFAOYSA-N 1 0 313.379 1.453 20 5 DDBDRO CCCC[N@H+](C)CCNC(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000112309049 407425825 /nfs/dbraw/zinc/42/58/25/407425825.db2.gz ZOEVIOJFIARKTM-UHFFFAOYSA-N 1 0 311.386 1.338 20 5 DDBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1CC[NH2+]C1 ZINC000127874658 407472542 /nfs/dbraw/zinc/47/25/42/407472542.db2.gz ONIBBACATIGTNM-PSASIEDQSA-N 1 0 313.741 1.494 20 5 DDBDRO C[NH+](C)C[C@@H]1CCN(C(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000113455445 407505676 /nfs/dbraw/zinc/50/56/76/407505676.db2.gz YHLWSYNURKCCLW-LBPRGKRZSA-N 1 0 307.350 1.384 20 5 DDBDRO COC[C@H]1CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000265762643 407441844 /nfs/dbraw/zinc/44/18/44/407441844.db2.gz HISXIZFDRNSJKR-JSGCOSHPSA-N 1 0 310.350 1.303 20 5 DDBDRO CC[N@H+](C)CCNC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000112925488 407449743 /nfs/dbraw/zinc/44/97/43/407449743.db2.gz YJXBVQLCWVEFKA-UHFFFAOYSA-N 1 0 311.338 1.294 20 5 DDBDRO COC[C@@H]1CCC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000112990259 407456301 /nfs/dbraw/zinc/45/63/01/407456301.db2.gz DMANGPMUGFJYPN-CYBMUJFWSA-N 1 0 321.377 1.916 20 5 DDBDRO Cc1n[nH]c(C(=O)N(CC[NH3+])CCc2ccccc2)c1[N+](=O)[O-] ZINC000261707869 407587205 /nfs/dbraw/zinc/58/72/05/407587205.db2.gz KHHJZHAFFRUYCK-UHFFFAOYSA-N 1 0 317.349 1.270 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000261597202 407547169 /nfs/dbraw/zinc/54/71/69/407547169.db2.gz MPQTZOVFTORJSW-GFCCVEGCSA-N 1 0 315.395 1.555 20 5 DDBDRO C[N@@H+]1CCCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000114675648 407596617 /nfs/dbraw/zinc/59/66/17/407596617.db2.gz TXORDFMORBFHGR-UHFFFAOYSA-N 1 0 311.313 1.277 20 5 DDBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])CCc1cnccn1 ZINC000271321430 407635362 /nfs/dbraw/zinc/63/53/62/407635362.db2.gz JZIVBOGXNNYYMG-UHFFFAOYSA-N 1 0 302.334 1.938 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000261722819 407592955 /nfs/dbraw/zinc/59/29/55/407592955.db2.gz KIFSEEXYKGYNMD-GXFFZTMASA-N 1 0 307.350 1.737 20 5 DDBDRO CCCc1n[nH]c(C(=O)NCC[C@@H]2CCC[NH2+]C2)c1[N+](=O)[O-] ZINC000152774130 407688082 /nfs/dbraw/zinc/68/80/82/407688082.db2.gz BCBFXSUUJJBRJI-JTQLQIEISA-N 1 0 309.370 1.390 20 5 DDBDRO O=C(NC1CC[NH2+]CC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000262111468 407740309 /nfs/dbraw/zinc/74/03/09/407740309.db2.gz DYQRFVDZQVNLBH-UHFFFAOYSA-N 1 0 318.377 1.677 20 5 DDBDRO C[NH+](C)[C@]1(CNC(=O)c2ccccc2[N+](=O)[O-])CCSC1 ZINC000267141441 407763108 /nfs/dbraw/zinc/76/31/08/407763108.db2.gz UNDUKVWSAVUJNJ-AWEZNQCLSA-N 1 0 309.391 1.762 20 5 DDBDRO C[NH2+]C[C@@H]1CCCN(C(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000237172193 407802400 /nfs/dbraw/zinc/80/24/00/407802400.db2.gz IYYXMUGDDKMCAD-AWEZNQCLSA-N 1 0 305.378 1.985 20 5 DDBDRO O=C(C[C@@H]1CSCC[NH2+]1)NCCc1ccccc1[N+](=O)[O-] ZINC000238054570 407878266 /nfs/dbraw/zinc/87/82/66/407878266.db2.gz FFWXUYXMLMOUTR-GFCCVEGCSA-N 1 0 309.391 1.349 20 5 DDBDRO [NH3+]CC1(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CCCC1 ZINC000238047617 407878746 /nfs/dbraw/zinc/87/87/46/407878746.db2.gz ZNEUJDPKDKINIR-UHFFFAOYSA-N 1 0 303.362 1.999 20 5 DDBDRO COc1cc(C(=O)N[C@H]2CC[NH2+]C[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000262700101 407905553 /nfs/dbraw/zinc/90/55/53/407905553.db2.gz AONNUUCDFOBRPB-KOLCDFICSA-N 1 0 323.349 1.340 20 5 DDBDRO [NH3+]C[C@H](NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)C1CC1 ZINC000237926377 407849928 /nfs/dbraw/zinc/84/99/28/407849928.db2.gz YWVIDEAEHRTQKX-AWEZNQCLSA-N 1 0 315.333 1.248 20 5 DDBDRO [NH3+][C@@H]1CC[C@H](C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000172819001 407850880 /nfs/dbraw/zinc/85/08/80/407850880.db2.gz DGAKMJVBTNBYPP-QWHCGFSZSA-N 1 0 318.377 1.371 20 5 DDBDRO CN(C(=O)C[N@@H+]1CC[C@@]2(CCOC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000153931719 407936173 /nfs/dbraw/zinc/93/61/73/407936173.db2.gz YUZZOFSFOKDISY-MRXNPFEDSA-N 1 0 319.361 1.670 20 5 DDBDRO CCN(CCOC)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000273026584 408024999 /nfs/dbraw/zinc/02/49/99/408024999.db2.gz LWABSHOXZDTZBV-UHFFFAOYSA-N 1 0 316.379 1.337 20 5 DDBDRO C[C@H]1C[C@H](N(C)C(=O)c2c(N)cccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000272570097 407988150 /nfs/dbraw/zinc/98/81/50/407988150.db2.gz CWQLOFHNJHPERV-WDEREUQCSA-N 1 0 306.366 1.732 20 5 DDBDRO CCO[C@H]1C[C@H](O)C12CC[NH+](CCn1cc([N+](=O)[O-])cn1)CC2 ZINC000174873075 407997744 /nfs/dbraw/zinc/99/77/44/407997744.db2.gz MSPHBJAGDIAIIL-KBPBESRZSA-N 1 0 324.381 1.043 20 5 DDBDRO C[C@@H](O)C[N@@H+]1CCN(CCOc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000189564091 408052838 /nfs/dbraw/zinc/05/28/38/408052838.db2.gz ICOIXYYZYNDWIM-ZIAGYGMSSA-N 1 0 323.393 1.361 20 5 DDBDRO O=C(NCCC[NH+]1CCC(O)CC1)c1ccc([N+](=O)[O-])s1 ZINC000136121623 408080134 /nfs/dbraw/zinc/08/01/34/408080134.db2.gz DFUIYDUWDAHYHJ-UHFFFAOYSA-N 1 0 313.379 1.233 20 5 DDBDRO COC(=O)c1cc(C(=O)N2CC[NH2+]C(C)(C)C2)cc([N+](=O)[O-])c1 ZINC000175403388 408122132 /nfs/dbraw/zinc/12/21/32/408122132.db2.gz HDJCMEUNKBSCRW-UHFFFAOYSA-N 1 0 321.333 1.205 20 5 DDBDRO COC[C@@H]1CC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000273339198 408157299 /nfs/dbraw/zinc/15/72/99/408157299.db2.gz NIMCEMDYUYQEKH-CHWSQXEVSA-N 1 0 310.350 1.303 20 5 DDBDRO CC[NH+](CC)CCCNc1ncc(C(=O)OC)cc1[N+](=O)[O-] ZINC000190163711 408178714 /nfs/dbraw/zinc/17/87/14/408178714.db2.gz OZXYMUPINLVREL-UHFFFAOYSA-N 1 0 310.354 1.920 20 5 DDBDRO C[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@@H]1CO ZINC000190429045 408241480 /nfs/dbraw/zinc/24/14/80/408241480.db2.gz HEWIKXRIRHGSRD-IINYFYTJSA-N 1 0 308.334 1.664 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[N@@H+](CCCO)Cc2ccccc2)c1 ZINC000268950430 408218483 /nfs/dbraw/zinc/21/84/83/408218483.db2.gz FCFLEFSEHPCBDC-UHFFFAOYSA-N 1 0 304.350 1.676 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000269459847 408317503 /nfs/dbraw/zinc/31/75/03/408317503.db2.gz HMGNVBZGGJFJQY-ZJUUUORDSA-N 1 0 321.381 1.796 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@@H](Oc3ccncc3)C2)n1 ZINC000131842679 162024278 /nfs/dbraw/zinc/02/42/78/162024278.db2.gz FXLFYXUYRUZSKX-CYBMUJFWSA-N 1 0 303.322 1.340 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N(C)C1CC[NH+](C)CC1 ZINC000171222984 162209793 /nfs/dbraw/zinc/20/97/93/162209793.db2.gz RZAQCNUTVRIVQM-UHFFFAOYSA-N 1 0 307.350 1.770 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@@]3(CC=CCC3)C2)c1 ZINC000173751612 162362325 /nfs/dbraw/zinc/36/23/25/162362325.db2.gz ZHBOBZRHYAULQB-CVEARBPZSA-N 1 0 320.393 1.975 20 5 DDBDRO C[NH+](C)C[C@](C)(O)CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000269889643 408459877 /nfs/dbraw/zinc/45/98/77/408459877.db2.gz KFPGKJZULAISSV-OAHLLOKOSA-N 1 0 320.349 1.119 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N(C)CC[NH+](C)C ZINC000176970831 408487306 /nfs/dbraw/zinc/48/73/06/408487306.db2.gz QGIWIJAIZHKFJG-UHFFFAOYSA-N 1 0 315.395 1.394 20 5 DDBDRO NS(=O)(=O)C[C@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000265205458 408578817 /nfs/dbraw/zinc/57/88/17/408578817.db2.gz KNNCQVJRERXVMN-LBPRGKRZSA-N 1 0 313.379 1.095 20 5 DDBDRO COCC[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000265389650 408632393 /nfs/dbraw/zinc/63/23/93/408632393.db2.gz BZDZHYNSFVCKOU-CYBMUJFWSA-N 1 0 322.365 1.745 20 5 DDBDRO CN1CCO[C@H](CN(CC2CC2)c2ccc([N+](=O)[O-])cn2)C1 ZINC000275696840 408649906 /nfs/dbraw/zinc/64/99/06/408649906.db2.gz MYRMTMFUARYGKI-AWEZNQCLSA-N 1 0 306.366 1.537 20 5 DDBDRO CC1CC[NH+](CCCCNC(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC000270726854 408652276 /nfs/dbraw/zinc/65/22/76/408652276.db2.gz BFQWUQMJDRCUOY-UHFFFAOYSA-N 1 0 323.397 1.570 20 5 DDBDRO Cn1c(Sc2ccc([N+](=O)[O-])cn2)nnc1C1CC[NH2+]CC1 ZINC000265464795 408660599 /nfs/dbraw/zinc/66/05/99/408660599.db2.gz OAJKQJKGGHSVPR-UHFFFAOYSA-N 1 0 320.378 1.737 20 5 DDBDRO O=C1CCCN1[C@H]1CC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000270874703 408719544 /nfs/dbraw/zinc/71/95/44/408719544.db2.gz JQFSYHUUKMGFMZ-GJZGRUSLSA-N 1 0 319.361 1.325 20 5 DDBDRO CCCC[C@@H](C[NH3+])NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000162855254 408741709 /nfs/dbraw/zinc/74/17/09/408741709.db2.gz QEEWWYYNVSPYKK-LBPRGKRZSA-N 1 0 309.366 1.997 20 5 DDBDRO [NH3+]CCCOC1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000178203794 408787011 /nfs/dbraw/zinc/78/70/11/408787011.db2.gz NARUOLWKELLMPC-UHFFFAOYSA-N 1 0 321.377 1.494 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C)[C@@H]1CCOC1 ZINC000163082011 408758643 /nfs/dbraw/zinc/75/86/43/408758643.db2.gz ZZURGYUHBOKZDX-VXGBXAGGSA-N 1 0 307.350 1.856 20 5 DDBDRO C[C@@H](C[S@@](C)=O)[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000185126373 408764667 /nfs/dbraw/zinc/76/46/67/408764667.db2.gz NDDLCHFPWBEEST-PRWKNARSSA-N 1 0 300.380 1.672 20 5 DDBDRO O=[N+]([O-])c1cccc(OCCN2CCO[C@]3(CCOC3)C2)c1 ZINC000185186697 408777144 /nfs/dbraw/zinc/77/71/44/408777144.db2.gz OEFRDLYVSZPJEM-OAHLLOKOSA-N 1 0 308.334 1.465 20 5 DDBDRO CC[C@H](CO)[NH+]1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000276365543 408843057 /nfs/dbraw/zinc/84/30/57/408843057.db2.gz ZUZHJNQHTKUQGF-CYBMUJFWSA-N 1 0 311.357 1.622 20 5 DDBDRO COC[C@H](CO)[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000280969523 408866732 /nfs/dbraw/zinc/86/67/32/408866732.db2.gz LFUBGLYCWDGWRW-QEJZJMRPSA-N 1 0 308.378 1.903 20 5 DDBDRO COC(=O)c1cc(C)nc(NC2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000286010816 408907248 /nfs/dbraw/zinc/90/72/48/408907248.db2.gz FBCIESWTIFPTPW-UHFFFAOYSA-N 1 0 308.338 1.591 20 5 DDBDRO C[C@H]1CN(CCn2cc([N+](=O)[O-])c(=O)c3ccccc32)CCO1 ZINC000291703328 408909241 /nfs/dbraw/zinc/90/92/41/408909241.db2.gz UQHUAOQHUAOBAX-LBPRGKRZSA-N 1 0 317.345 1.630 20 5 DDBDRO Cc1cc(OCC(=O)N(C)[C@@H]2CCC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000281799351 408931208 /nfs/dbraw/zinc/93/12/08/408931208.db2.gz VGWZIRIIGSBSIT-CYBMUJFWSA-N 1 0 321.377 1.835 20 5 DDBDRO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000226462083 163336105 /nfs/dbraw/zinc/33/61/05/163336105.db2.gz XCGYYLJCNFANNO-SECBINFHSA-N 1 0 317.342 1.154 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCC2=CC[N@H+](C)CC2)n1 ZINC000286437483 408985243 /nfs/dbraw/zinc/98/52/43/408985243.db2.gz IMXBNNPPFLIENS-UHFFFAOYSA-N 1 0 306.322 1.450 20 5 DDBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1c1ncc([N+](=O)[O-])cc1C(N)=O ZINC000286486069 408989266 /nfs/dbraw/zinc/98/92/66/408989266.db2.gz XAPCLNQTMAYVIB-PWSUYJOCSA-N 1 0 319.365 1.152 20 5 DDBDRO COc1ccc(C[NH2+][C@@H](C)C(=O)N2CCCC2)cc1[N+](=O)[O-] ZINC000282257695 409020118 /nfs/dbraw/zinc/02/01/18/409020118.db2.gz OZSMADLUARRGQS-NSHDSACASA-N 1 0 307.350 1.704 20 5 DDBDRO CN(CC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1)c1ccccc1[N+](=O)[O-] ZINC000293407206 409107810 /nfs/dbraw/zinc/10/78/10/409107810.db2.gz MYGNRJXPVCAXAE-OLZOCXBDSA-N 1 0 318.377 1.241 20 5 DDBDRO CCOCC(C)(C)[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000293419276 409109806 /nfs/dbraw/zinc/10/98/06/409109806.db2.gz ZREKGXKGWIQYAI-UHFFFAOYSA-N 1 0 309.366 1.962 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCC[N@H+]2CC=CCC2)n1 ZINC000287965392 409123629 /nfs/dbraw/zinc/12/36/29/409123629.db2.gz ZGTLNZZYFQJMND-UHFFFAOYSA-N 1 0 306.322 1.450 20 5 DDBDRO C[C@H]([C@H](C)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)N1CCOCC1 ZINC000293572044 409139506 /nfs/dbraw/zinc/13/95/06/409139506.db2.gz DNAICQGLVKKJFV-RWMBFGLXSA-N 1 0 322.409 1.937 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cc([C@@H]2CC[NH2+]C2)[nH]n1 ZINC000279075346 409144520 /nfs/dbraw/zinc/14/45/20/409144520.db2.gz UNINTTOCXAQXFB-SNVBAGLBSA-N 1 0 315.333 1.956 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]([NH+](C)C)C2)c1 ZINC000283855819 409229193 /nfs/dbraw/zinc/22/91/93/409229193.db2.gz HESCFZYGSJXSLF-LLVKDONJSA-N 1 0 307.350 1.770 20 5 DDBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@H](CO)[C@@H]2CCOC2)c1 ZINC000280251348 409278010 /nfs/dbraw/zinc/27/80/10/409278010.db2.gz IXLWRYUFORINKF-ZYHUDNBSSA-N 1 0 314.769 1.983 20 5 DDBDRO O=[N+]([O-])c1ccn(CCN2CC[C@@H](n3cc(Cl)cn3)C2)n1 ZINC000289410576 409266007 /nfs/dbraw/zinc/26/60/07/409266007.db2.gz AGVHIKSNKUIJTR-LLVKDONJSA-N 1 0 310.745 1.588 20 5 DDBDRO CC(C)(C)[C@@H](O)C[C@@H](CO)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000284084914 409272503 /nfs/dbraw/zinc/27/25/03/409272503.db2.gz RGNUAZYRRXVXCJ-QWRGUYRKSA-N 1 0 302.396 1.904 20 5 DDBDRO CC[C@@H]([NH3+])CNC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000295190989 409366087 /nfs/dbraw/zinc/36/60/87/409366087.db2.gz IXVNYAAGZFEYQT-MRVPVSSYSA-N 1 0 313.379 1.792 20 5 DDBDRO O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000290376923 409380429 /nfs/dbraw/zinc/38/04/29/409380429.db2.gz KMGJBJCOJQLRBA-NWDGAFQWSA-N 1 0 314.345 1.758 20 5 DDBDRO Cc1cc(OCC(=O)NC[C@H](C)[N@H+](C)C2CC2)ccc1[N+](=O)[O-] ZINC000280628380 409384478 /nfs/dbraw/zinc/38/44/78/409384478.db2.gz UINXVKUASPUTQO-LBPRGKRZSA-N 1 0 321.377 1.881 20 5 DDBDRO O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)c1[nH]ncc1[N+](=O)[O-] ZINC000280622553 409385966 /nfs/dbraw/zinc/38/59/66/409385966.db2.gz BRZZPLZYEKNZRP-GFCCVEGCSA-N 1 0 321.381 1.845 20 5 DDBDRO C[N@@H+]1CCO[C@@H]2CCN(c3ncc([N+](=O)[O-])cc3Cl)C[C@@H]21 ZINC000284414801 409342293 /nfs/dbraw/zinc/34/22/93/409342293.db2.gz BUPBFPSAYNBTBK-NWDGAFQWSA-N 1 0 312.757 1.553 20 5 DDBDRO CC(C)[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1nncn1C ZINC000285415997 409437729 /nfs/dbraw/zinc/43/77/29/409437729.db2.gz PWTFPMTXVCHTAM-KGLIPLIRSA-N 1 0 319.365 1.744 20 5 DDBDRO CCc1nn(C)c(NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c1[N+](=O)[O-] ZINC000317844499 164028615 /nfs/dbraw/zinc/02/86/15/164028615.db2.gz YAJXIMXGAIDACF-GHMZBOCLSA-N 1 0 309.370 1.166 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2CC[N@H+](C)[C@@H](C)C2)n1 ZINC000319187109 164035314 /nfs/dbraw/zinc/03/53/14/164035314.db2.gz OSBAEQIEXGKSQB-VHSXEESVSA-N 1 0 308.338 1.671 20 5 DDBDRO C[NH+](C)CCOCCNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000322952752 164047878 /nfs/dbraw/zinc/04/78/78/164047878.db2.gz DZZZSQPBYXEGBO-UHFFFAOYSA-N 1 0 322.365 1.470 20 5 DDBDRO O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000290638174 409471380 /nfs/dbraw/zinc/47/13/80/409471380.db2.gz RBMHTCQPEXEJFO-NXEZZACHSA-N 1 0 309.753 1.930 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1CCC2(CCO2)CC1 ZINC000374376926 164172594 /nfs/dbraw/zinc/17/25/94/164172594.db2.gz HHZVADFERPXCOA-CYBMUJFWSA-N 1 0 322.361 1.589 20 5 DDBDRO Cc1nn(C)c(N2CC[NH+](CC3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000408193067 164255932 /nfs/dbraw/zinc/25/59/32/164255932.db2.gz QFULYFCSHSEQSR-UHFFFAOYSA-N 1 0 323.397 1.185 20 5 DDBDRO CC[N@@H+]1CCCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000303971318 409555879 /nfs/dbraw/zinc/55/58/79/409555879.db2.gz DITLNKOXAYNELE-OAHLLOKOSA-N 1 0 323.393 1.362 20 5 DDBDRO C[C@@H]1CN(C(=O)NCCc2cccc([N+](=O)[O-])c2)C[C@H](C)[N@H+]1C ZINC000296564837 409619642 /nfs/dbraw/zinc/61/96/42/409619642.db2.gz SHZAWWIPGQLPJB-BETUJISGSA-N 1 0 320.393 1.871 20 5 DDBDRO Cc1c(Br)c(=O)n(CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000342456077 409646812 /nfs/dbraw/zinc/64/68/12/409646812.db2.gz ZFMIQQGGHDZVNL-UHFFFAOYSA-N 1 0 304.144 1.389 20 5 DDBDRO O=C(CCN1CC[C@@H]2C[NH2+]C[C@@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000357077258 409847224 /nfs/dbraw/zinc/84/72/24/409847224.db2.gz AKNZDINNJOZDCO-CHWSQXEVSA-N 1 0 318.377 1.465 20 5 DDBDRO COC[C@@]1(CNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CCC[NH2+]1 ZINC000323707571 409918876 /nfs/dbraw/zinc/91/88/76/409918876.db2.gz HOXLITKQIATYCT-SBSDFTTDSA-N 1 0 319.361 1.493 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)NCCCCC[NH+]2CCCC2)n1 ZINC000357090910 409864647 /nfs/dbraw/zinc/86/46/47/409864647.db2.gz ZAEWRXJDLKNFRM-UHFFFAOYSA-N 1 0 323.397 1.807 20 5 DDBDRO C[N@@H+]1CC[C@](O)(CNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000346729354 410117865 /nfs/dbraw/zinc/11/78/65/410117865.db2.gz OGJSTBVDCUNGMH-INIZCTEOSA-N 1 0 321.377 1.055 20 5 DDBDRO Cc1c(C[N@@H+](C)C2CCN(CCO)CC2)cccc1[N+](=O)[O-] ZINC000357646010 410161517 /nfs/dbraw/zinc/16/15/17/410161517.db2.gz HNYBBQFEZBITJJ-UHFFFAOYSA-N 1 0 307.394 1.792 20 5 DDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H](C)CC[NH+](C)C ZINC000357657682 410168846 /nfs/dbraw/zinc/16/88/46/410168846.db2.gz ACORSBLPBBOPBI-JTQLQIEISA-N 1 0 315.395 1.522 20 5 DDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC[N@H+](C)CC1 ZINC000298642890 410328072 /nfs/dbraw/zinc/32/80/72/410328072.db2.gz RVFUXRIOZCZBOE-GFCCVEGCSA-N 1 0 306.366 1.559 20 5 DDBDRO C[C@H]([NH3+])[C@@H]1CCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000351865891 410305955 /nfs/dbraw/zinc/30/59/55/410305955.db2.gz POAKUUGHSFGIQQ-SDDRHHMPSA-N 1 0 306.366 1.591 20 5 DDBDRO Cc1nn(CCC(=O)N[C@H]2CCC[N@H+](C)[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000343459883 410471137 /nfs/dbraw/zinc/47/11/37/410471137.db2.gz WTJNRUXNCSIALK-YPMHNXCESA-N 1 0 323.397 1.397 20 5 DDBDRO Cc1nccn1CC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000299065798 410504997 /nfs/dbraw/zinc/50/49/97/410504997.db2.gz UPDWSCFAMGVPMA-UHFFFAOYSA-N 1 0 315.377 1.922 20 5 DDBDRO C[C@H]1[C@H](NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CCC[N@@H+]1C ZINC000343583801 410551583 /nfs/dbraw/zinc/55/15/83/410551583.db2.gz ZKEAPTRZIIRKNT-GXSJLCMTSA-N 1 0 321.333 1.536 20 5 DDBDRO NC(=O)[C@@H]1CCC[N@H+](CCCNc2ccccc2[N+](=O)[O-])C1 ZINC000301150814 410666207 /nfs/dbraw/zinc/66/62/07/410666207.db2.gz MWZFBDRWHZCUPS-GFCCVEGCSA-N 1 0 306.366 1.594 20 5 DDBDRO C[C@@H]1C[C@H](NC(=O)NCCc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000340098175 410675102 /nfs/dbraw/zinc/67/51/02/410675102.db2.gz VVPHIMVYLITDJU-TZMCWYRMSA-N 1 0 320.393 1.919 20 5 DDBDRO CNC(=O)c1ccc(N(C)CC[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000301216837 410677244 /nfs/dbraw/zinc/67/72/44/410677244.db2.gz YXQQXUAZASYOAR-UHFFFAOYSA-N 1 0 306.366 1.486 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1CN1CC[N@H+](C[C@H](C)O)C[C@H]1C ZINC000337427432 410775806 /nfs/dbraw/zinc/77/58/06/410775806.db2.gz SWWNABANKIRICT-OLZOCXBDSA-N 1 0 323.393 1.490 20 5 DDBDRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000337503826 410829929 /nfs/dbraw/zinc/82/99/29/410829929.db2.gz GDMOAAOVWXKQCH-QWHCGFSZSA-N 1 0 320.393 1.983 20 5 DDBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000359766103 410862405 /nfs/dbraw/zinc/86/24/05/410862405.db2.gz SMOIAJAEBMRKGP-JTQLQIEISA-N 1 0 310.354 1.546 20 5 DDBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1[nH]nc(CC)c1[N+](=O)[O-] ZINC000359773409 410867959 /nfs/dbraw/zinc/86/79/59/410867959.db2.gz ISMVSVWKQFPJLN-SNVBAGLBSA-N 1 0 311.386 1.731 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)NCC2=CC[N@H+](C)CC2)c1[N+](=O)[O-] ZINC000330679394 410872794 /nfs/dbraw/zinc/87/27/94/410872794.db2.gz DIVLJBOKEGAHNX-UHFFFAOYSA-N 1 0 307.354 1.433 20 5 DDBDRO Cn1nccc1C[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000348361392 410933938 /nfs/dbraw/zinc/93/39/38/410933938.db2.gz AWJKKTWDGFGJGY-UHFFFAOYSA-N 1 0 317.349 1.789 20 5 DDBDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)c3cccc([N+](=O)[O-])c3N)C2)C1 ZINC000356289273 410946500 /nfs/dbraw/zinc/94/65/00/410946500.db2.gz VWOBSARGDXSIHQ-INIZCTEOSA-N 1 0 318.377 1.735 20 5 DDBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H](CO)C1CC1 ZINC000353508989 411041106 /nfs/dbraw/zinc/04/11/06/411041106.db2.gz IAYWGRCPXARUKJ-AAEUAGOBSA-N 1 0 321.377 1.920 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])c(N[C@H](CO)C[NH+]2CCCCC2)n1 ZINC000580155775 422893997 /nfs/dbraw/zinc/89/39/97/422893997.db2.gz FQICLZMEXMKBPS-ZDUSSCGKSA-N 1 0 308.382 1.865 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H]2CCCOCC2)c1 ZINC000580709894 422949108 /nfs/dbraw/zinc/94/91/08/422949108.db2.gz PXJDAMITKODGJU-TZMCWYRMSA-N 1 0 310.350 1.493 20 5 DDBDRO CCC[C@H]([NH2+]CCN1C(=O)CNC1=O)c1cccc([N+](=O)[O-])c1 ZINC000134125109 196363829 /nfs/dbraw/zinc/36/38/29/196363829.db2.gz LAROEOZTELXOII-ZDUSSCGKSA-N 1 0 320.349 1.577 20 5 DDBDRO C[C@@]1(C[NH3+])CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000420247336 226446766 /nfs/dbraw/zinc/44/67/66/226446766.db2.gz UTGBHDKBNFRKFE-AWEZNQCLSA-N 1 0 303.322 1.820 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000373929381 418474388 /nfs/dbraw/zinc/47/43/88/418474388.db2.gz OJIZHBWNPJVSBB-OCCSQVGLSA-N 1 0 319.361 1.717 20 5 DDBDRO O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[NH+]2CCC1CC2 ZINC000188839658 222029356 /nfs/dbraw/zinc/02/93/56/222029356.db2.gz XEWGQUYFCQSJQT-UHFFFAOYSA-N 1 0 314.345 1.996 20 5 DDBDRO CCn1c(C)nc([N+](=O)[O-])c1N(C)C1CC[NH+](CCO)CC1 ZINC000360903027 418543678 /nfs/dbraw/zinc/54/36/78/418543678.db2.gz BAADXKDNRVKSRS-UHFFFAOYSA-N 1 0 311.386 1.013 20 5 DDBDRO CNc1c(C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000360945988 418552180 /nfs/dbraw/zinc/55/21/80/418552180.db2.gz SUXNAGYZENRUNZ-GXFFZTMASA-N 1 0 318.377 1.849 20 5 DDBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)Cc3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC000375052992 418596446 /nfs/dbraw/zinc/59/64/46/418596446.db2.gz DWUBOMYXJFZFGQ-DZGCQCFKSA-N 1 0 303.362 1.690 20 5 DDBDRO CC[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C[C@H](C)OC ZINC000291312705 222306319 /nfs/dbraw/zinc/30/63/19/222306319.db2.gz TWUHCQHEWCQJPF-QWHCGFSZSA-N 1 0 312.366 1.691 20 5 DDBDRO C[C@@H]1OCC[C@H]1[N@H+](CCO)CCOc1ccccc1[N+](=O)[O-] ZINC000361586784 418687431 /nfs/dbraw/zinc/68/74/31/418687431.db2.gz UJOCKURRZLRCRE-QWHCGFSZSA-N 1 0 310.350 1.445 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000365668959 418892469 /nfs/dbraw/zinc/89/24/69/418892469.db2.gz FRJSIHHGNJGEEN-STQMWFEESA-N 1 0 319.361 1.496 20 5 DDBDRO O=[N+]([O-])c1cnc2ccc(N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)nn21 ZINC000372703424 418893756 /nfs/dbraw/zinc/89/37/56/418893756.db2.gz IDOIEHMCTDHWSJ-MNOVXSKESA-N 1 0 302.338 1.676 20 5 DDBDRO COc1cccc2c1CC[N@H+](Cc1c([N+](=O)[O-])ncn1C)CC2 ZINC000365836501 418914653 /nfs/dbraw/zinc/91/46/53/418914653.db2.gz IUJUJGINUCIYNQ-UHFFFAOYSA-N 1 0 316.361 1.938 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000424003197 227852208 /nfs/dbraw/zinc/85/22/08/227852208.db2.gz DJHFGHQPXRSRNL-GHMZBOCLSA-N 1 0 307.350 1.660 20 5 DDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000421009410 419446721 /nfs/dbraw/zinc/44/67/21/419446721.db2.gz QAXQJPDJGVWYRK-DOMZBBRYSA-N 1 0 320.393 1.948 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@@H](CCO)CC1 ZINC000421008005 419448040 /nfs/dbraw/zinc/44/80/40/419448040.db2.gz CXJLJVBUCSCBLY-CYBMUJFWSA-N 1 0 309.366 1.241 20 5 DDBDRO C[C@@H](NC(=O)NCC1=CC[NH2+]CC1)c1ccccc1[N+](=O)[O-] ZINC000417984232 419450360 /nfs/dbraw/zinc/45/03/60/419450360.db2.gz OSCFHRQXAUDCPQ-LLVKDONJSA-N 1 0 304.350 1.875 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](CO)[C@H]1CCCOC1 ZINC000411983748 419544455 /nfs/dbraw/zinc/54/44/55/419544455.db2.gz GKXWJNAINXSZHY-JSGCOSHPSA-N 1 0 310.350 1.481 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[N@H+](C)CC[C@H]1C ZINC000426899509 419567324 /nfs/dbraw/zinc/56/73/24/419567324.db2.gz UXUFCCGJMVHLSB-LLVKDONJSA-N 1 0 307.350 1.770 20 5 DDBDRO C[C@H]1CN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000429167009 228792525 /nfs/dbraw/zinc/79/25/25/228792525.db2.gz WSEHDKXXGAAJPO-GWCFXTLKSA-N 1 0 318.377 1.978 20 5 DDBDRO CC[NH2+]CCNC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000418315644 419698404 /nfs/dbraw/zinc/69/84/04/419698404.db2.gz IBJGMAAUXKRXAI-UHFFFAOYSA-N 1 0 308.338 1.108 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CC[N@H+](CC)[C@@H](C)C2)n1 ZINC000427844433 419750411 /nfs/dbraw/zinc/75/04/11/419750411.db2.gz CUKBEFAKMNOQFE-RYUDHWBXSA-N 1 0 323.397 1.756 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CCC(CC[NH+](C)C)CC2)n1 ZINC000427853828 419754936 /nfs/dbraw/zinc/75/49/36/419754936.db2.gz XZMVLNBCSSEJLH-UHFFFAOYSA-N 1 0 323.397 1.615 20 5 DDBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000428042016 419800688 /nfs/dbraw/zinc/80/06/88/419800688.db2.gz KKNTVZBNEQBNJN-FRRDWIJNSA-N 1 0 318.377 1.606 20 5 DDBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NC[C@@H]1CCC[NH2+]1 ZINC000414849434 419838951 /nfs/dbraw/zinc/83/89/51/419838951.db2.gz RDZCEQFAKJFAQO-AAEUAGOBSA-N 1 0 306.366 1.654 20 5 DDBDRO Cc1c(NC(=O)[C@@H](C)N2CCC([NH3+])CC2)cccc1[N+](=O)[O-] ZINC000430599197 228933406 /nfs/dbraw/zinc/93/34/06/228933406.db2.gz FPGNXBVCMJSBGJ-LLVKDONJSA-N 1 0 306.366 1.653 20 5 DDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC(C[NH3+])CC1 ZINC000430651131 228946385 /nfs/dbraw/zinc/94/63/85/228946385.db2.gz VSLRKLXVOFDFTQ-LLVKDONJSA-N 1 0 306.366 1.593 20 5 DDBDRO C[C@H]1[NH2+]CCC[C@H]1NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000418546138 419869451 /nfs/dbraw/zinc/86/94/51/419869451.db2.gz FDCRDCDEYSESPG-IAQYHMDHSA-N 1 0 318.377 1.803 20 5 DDBDRO CC[NH2+][C@H](C)CNC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000418594277 419893474 /nfs/dbraw/zinc/89/34/74/419893474.db2.gz UKCPINKYJCJSFO-GFCCVEGCSA-N 1 0 308.382 1.777 20 5 DDBDRO C[C@@H]1COCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000432357656 229098302 /nfs/dbraw/zinc/09/83/02/229098302.db2.gz MHQSGRAFIUVTPA-QMTHXVAHSA-N 1 0 308.334 1.976 20 5 DDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)c1ncn([C@@H]2CCC[NH2+]C2)n1 ZINC000433386198 229200280 /nfs/dbraw/zinc/20/02/80/229200280.db2.gz HANWUQYGSUEOHB-GFCCVEGCSA-N 1 0 316.321 1.363 20 5 DDBDRO Cc1c(NC(=O)C(=O)N2CCC(C[NH3+])CC2)cccc1[N+](=O)[O-] ZINC000415308464 420016222 /nfs/dbraw/zinc/01/62/22/420016222.db2.gz XMJFAWSETNRXTP-UHFFFAOYSA-N 1 0 320.349 1.039 20 5 DDBDRO C[C@@H]([NH3+])c1ccc(CNC(=O)c2ccc([N+](=O)[O-])n2C)cc1 ZINC000429507126 420022690 /nfs/dbraw/zinc/02/26/90/420022690.db2.gz ILKZQMJUMYOMED-SNVBAGLBSA-N 1 0 302.334 1.883 20 5 DDBDRO [NH3+]CC1(CC(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000423416553 420043678 /nfs/dbraw/zinc/04/36/78/420043678.db2.gz QYEYPPORAILYCD-NSHDSACASA-N 1 0 319.365 1.132 20 5 DDBDRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000415415228 420055462 /nfs/dbraw/zinc/05/54/62/420055462.db2.gz LCIPBJTYPQNLIO-SECBINFHSA-N 1 0 322.365 1.122 20 5 DDBDRO COc1ccc(NC(=O)N2CC[C@@](C)(C[NH3+])C2)cc1[N+](=O)[O-] ZINC000415430871 420063042 /nfs/dbraw/zinc/06/30/42/420063042.db2.gz CYAFWXUOKBUGLZ-AWEZNQCLSA-N 1 0 308.338 1.806 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000415584928 420119972 /nfs/dbraw/zinc/11/99/72/420119972.db2.gz XCOWLSHUGCQPHP-WDEREUQCSA-N 1 0 320.349 1.037 20 5 DDBDRO COC(=O)c1cc(NC(=O)NCC2C[NH2+]C2)c(C)c([N+](=O)[O-])c1 ZINC000415606387 420122078 /nfs/dbraw/zinc/12/20/78/420122078.db2.gz YTLCMMQABXUXQJ-UHFFFAOYSA-N 1 0 322.321 1.031 20 5 DDBDRO CN(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)CC(C)(C)C[NH3+] ZINC000430555472 420135092 /nfs/dbraw/zinc/13/50/92/420135092.db2.gz XSRIRFJSANBFQU-UHFFFAOYSA-N 1 0 308.382 1.474 20 5 DDBDRO CC[C@H]1[NH2+]CC[C@H]1C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000423719027 420140938 /nfs/dbraw/zinc/14/09/38/420140938.db2.gz DUVLTZLWOIJGLT-MWLCHTKSSA-N 1 0 303.322 1.798 20 5 DDBDRO C[NH2+]C[C@@H]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000430928384 420210013 /nfs/dbraw/zinc/21/00/13/420210013.db2.gz UGAFKBAALVDYTH-LBPRGKRZSA-N 1 0 306.366 1.383 20 5 DDBDRO C[C@]1(C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)CCCC[NH2+]1 ZINC000423826344 420211535 /nfs/dbraw/zinc/21/15/35/420211535.db2.gz MEBRGTXSZJZEAU-OAHLLOKOSA-N 1 0 321.381 1.487 20 5 DDBDRO CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000423828007 420213878 /nfs/dbraw/zinc/21/38/78/420213878.db2.gz PIDWZLNTOYTVHF-HIFRSBDPSA-N 1 0 318.377 1.509 20 5 DDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](C[NH3+])C1 ZINC000430632660 420165402 /nfs/dbraw/zinc/16/54/02/420165402.db2.gz YYPGQPPJNQPLNU-NEPJUHHUSA-N 1 0 306.366 1.593 20 5 DDBDRO [NH3+][C@@H]1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000430641254 420166936 /nfs/dbraw/zinc/16/69/36/420166936.db2.gz LSLMGTUTUJTYHN-GFCCVEGCSA-N 1 0 302.334 1.825 20 5 DDBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1NC[C@H]1C[NH2+]C[C@@H]1O ZINC000420248993 420167599 /nfs/dbraw/zinc/16/75/99/420167599.db2.gz XAYVWFXGUGGCMK-LDWIPMOCSA-N 1 0 306.149 1.894 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000420347220 420227483 /nfs/dbraw/zinc/22/74/83/420227483.db2.gz FUSVIACCAYJQGR-BETUJISGSA-N 1 0 318.377 1.668 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000420372211 420243662 /nfs/dbraw/zinc/24/36/62/420243662.db2.gz QBHAIWNDZHDBMG-RSAASHCRSA-N 1 0 320.393 1.818 20 5 DDBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000420378153 420248833 /nfs/dbraw/zinc/24/88/33/420248833.db2.gz WXEKLIDPMMSVTP-BFQNTYOBSA-N 1 0 320.393 1.900 20 5 DDBDRO [NH3+][C@@H]1CCC[C@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000420470844 420307217 /nfs/dbraw/zinc/30/72/17/420307217.db2.gz QUBUKOUJMPVBEC-DTWKUNHWSA-N 1 0 319.408 1.452 20 5 DDBDRO C[C@@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)[C@@H](C)CN1CCO ZINC000416288734 420309018 /nfs/dbraw/zinc/30/90/18/420309018.db2.gz DOQBJUWSBCELLG-ZJUUUORDSA-N 1 0 313.379 1.183 20 5 DDBDRO CN(C[C@@H]1CCC[N@H+](C)C1)c1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420604502 420329033 /nfs/dbraw/zinc/32/90/33/420329033.db2.gz RZELMEBIHLPSPR-LLVKDONJSA-N 1 0 306.366 1.472 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCn2ccnc2C1 ZINC000446329324 230253632 /nfs/dbraw/zinc/25/36/32/230253632.db2.gz DDVVPSNVMOWQAM-LLVKDONJSA-N 1 0 300.318 1.845 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[NH+]2CCC(Oc3ccccn3)CC2)c1 ZINC000437900509 420428999 /nfs/dbraw/zinc/42/89/99/420428999.db2.gz XMVTWKHEEWMBOK-UHFFFAOYSA-N 1 0 317.349 1.730 20 5 DDBDRO C[C@H]1CCN(C(=O)NCCc2ccccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000417773439 420474884 /nfs/dbraw/zinc/47/48/84/420474884.db2.gz WXLHKWVUFDTWPR-JSGCOSHPSA-N 1 0 320.393 1.764 20 5 DDBDRO Cc1cc(C)c(S(=O)(=O)NC[C@@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000440740473 420602677 /nfs/dbraw/zinc/60/26/77/420602677.db2.gz ZOODXQJXMVYSHH-LLVKDONJSA-N 1 0 315.395 1.473 20 5 DDBDRO Cc1ccc(S(=O)(=O)NCC[C@H]2CCC[NH2+]2)c([N+](=O)[O-])c1 ZINC000440809917 420608964 /nfs/dbraw/zinc/60/89/64/420608964.db2.gz ODPOTCLHCCHLQE-LLVKDONJSA-N 1 0 313.379 1.324 20 5 DDBDRO C[C@H]1[NH2+]CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)[C@H]1C ZINC000440819711 420610072 /nfs/dbraw/zinc/61/00/72/420610072.db2.gz WUPQJXQBCDXVQC-SFYZADRCSA-N 1 0 305.381 1.027 20 5 DDBDRO COc1cc(C(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)c([N+](=O)[O-])cc1F ZINC000453014097 420701378 /nfs/dbraw/zinc/70/13/78/420701378.db2.gz UOHBEDOTMTXWME-TVQRCGJNSA-N 1 0 323.324 1.519 20 5 DDBDRO O=[N+]([O-])c1cc(C[NH2+][C@H](CO)[C@H]2CCCO2)c2c(c1)COCO2 ZINC000447909741 420816021 /nfs/dbraw/zinc/81/60/21/420816021.db2.gz DORQPBMLQXJNAN-ZIAGYGMSSA-N 1 0 324.333 1.091 20 5 DDBDRO C[C@H]([NH3+])[C@H](C)NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000449589094 421033053 /nfs/dbraw/zinc/03/30/53/421033053.db2.gz MAWOXYZVGUEUGN-UWVGGRQHSA-N 1 0 317.349 1.461 20 5 DDBDRO O=C(COc1cccc([N+](=O)[O-])c1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000449736096 421070588 /nfs/dbraw/zinc/07/05/88/421070588.db2.gz VXGMCBGRSFPLKP-SMDDNHRTSA-N 1 0 305.334 1.184 20 5 DDBDRO Cc1nc(N2CC[C@@H](C[N@H+](C)CC3CC3)C2)ncc1[N+](=O)[O-] ZINC000450366434 421189908 /nfs/dbraw/zinc/18/99/08/421189908.db2.gz SZLFFMGXVFENRU-ZDUSSCGKSA-N 1 0 305.382 1.861 20 5 DDBDRO CN(C(=O)NCc1cccc([N+](=O)[O-])c1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000523435961 421239070 /nfs/dbraw/zinc/23/90/70/421239070.db2.gz ZALUSHDFXLQAMH-HNNXBMFYSA-N 1 0 318.377 1.973 20 5 DDBDRO O=C(/C=C\c1ccccc1[N+](=O)[O-])NCC[NH+]1CCSCC1 ZINC000491827700 421204272 /nfs/dbraw/zinc/20/42/72/421204272.db2.gz JCCHESNATBTJDN-WAYWQWQTSA-N 1 0 321.402 1.773 20 5 DDBDRO COCC[N@H+](C)CCCNC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000562393868 421361709 /nfs/dbraw/zinc/36/17/09/421361709.db2.gz ZOGVRMRSAAEJKA-CYBMUJFWSA-N 1 0 323.393 1.783 20 5 DDBDRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000562817376 421418075 /nfs/dbraw/zinc/41/80/75/421418075.db2.gz LOKAMPSMFLVLNV-FZMZJTMJSA-N 1 0 318.377 1.661 20 5 DDBDRO COc1ccc(CC(=O)N2CCC[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000562646288 421392023 /nfs/dbraw/zinc/39/20/23/421392023.db2.gz IKHRDPVEMCKUKK-LBPRGKRZSA-N 1 0 307.350 1.343 20 5 DDBDRO CC[C@@H]1C[N@H+](C)CCN1C(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000563990549 421563583 /nfs/dbraw/zinc/56/35/83/421563583.db2.gz XDJZLNDGHCTLJG-GFCCVEGCSA-N 1 0 309.370 1.042 20 5 DDBDRO CC(C)[N@H+](C)C[C@@H](O)CN1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000517041146 421591235 /nfs/dbraw/zinc/59/12/35/421591235.db2.gz HEPDTQQGRJYVKG-CQSZACIVSA-N 1 0 323.393 1.359 20 5 DDBDRO COc1cc(C(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000519580992 421702963 /nfs/dbraw/zinc/70/29/63/421702963.db2.gz VJFKHQKYXUYZBB-WCQYABFASA-N 1 0 305.334 1.380 20 5 DDBDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000570814539 421670405 /nfs/dbraw/zinc/67/04/05/421670405.db2.gz CPDHGYLPXCRLAM-RYUDHWBXSA-N 1 0 322.365 1.352 20 5 DDBDRO [NH3+]C[C@H](NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)C1CCCC1 ZINC000521424244 421786742 /nfs/dbraw/zinc/78/67/42/421786742.db2.gz FSKPUQVSZIBSED-NSHDSACASA-N 1 0 321.333 1.571 20 5 DDBDRO C[C@@H]1Oc2ccccc2[C@@H]1[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000574270757 422084665 /nfs/dbraw/zinc/08/46/65/422084665.db2.gz KAFZKLYAKIMREW-JVLSTEMRSA-N 1 0 318.333 1.264 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2CCC[C@H](C3CC3)C2)c1 ZINC000574632195 422146957 /nfs/dbraw/zinc/14/69/57/422146957.db2.gz PRINOEPGZFVVHB-GZBFAFLISA-N 1 0 308.382 1.711 20 5 DDBDRO C[C@@H]([NH2+]C1CC1)C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000583260314 422159021 /nfs/dbraw/zinc/15/90/21/422159021.db2.gz OJEXMIWFUUFOJQ-SECBINFHSA-N 1 0 315.333 2.064 20 5 DDBDRO C[C@H](c1ccccc1)[C@@H](O)C[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000574912018 422212009 /nfs/dbraw/zinc/21/20/09/422212009.db2.gz MIOLFICQGGIFCV-DOMZBBRYSA-N 1 0 304.350 1.546 20 5 DDBDRO O=[N+]([O-])c1cnc2ccc(N3CCC([C@H]4CC[NH2+]C4)CC3)nn21 ZINC000584043884 422245942 /nfs/dbraw/zinc/24/59/42/422245942.db2.gz ZRPIVIGVTFDDPQ-LBPRGKRZSA-N 1 0 316.365 1.463 20 5 DDBDRO Cc1ccnc([C@H]2CC[N@H+](CCn3ccc([N+](=O)[O-])n3)C2)c1 ZINC000575813474 422330619 /nfs/dbraw/zinc/33/06/19/422330619.db2.gz XPXNYBUXGBAPRK-ZDUSSCGKSA-N 1 0 301.350 1.984 20 5 DDBDRO C[C@@H]1[C@H](C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)CC[N@@H+]1C ZINC000592781329 422335459 /nfs/dbraw/zinc/33/54/59/422335459.db2.gz ZFFRHLMRCOQYNB-PSASIEDQSA-N 1 0 303.322 1.750 20 5 DDBDRO O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000594436508 422348767 /nfs/dbraw/zinc/34/87/67/422348767.db2.gz NNDWYNZGBCKCDA-XHDPSFHLSA-N 1 0 315.333 1.799 20 5 DDBDRO CNc1nccc(C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)c1[N+](=O)[O-] ZINC000597861294 422392400 /nfs/dbraw/zinc/39/24/00/422392400.db2.gz SKUFZEAFGXDXIM-JTQLQIEISA-N 1 0 321.381 1.634 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CC1CCOCC1 ZINC000577741710 422419236 /nfs/dbraw/zinc/41/92/36/422419236.db2.gz XVPVYUNWFVSRLH-ZDUSSCGKSA-N 1 0 310.350 1.351 20 5 DDBDRO C[NH+](C)C1CN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2F)C1 ZINC000577964101 422468075 /nfs/dbraw/zinc/46/80/75/422468075.db2.gz YKMDAEFCRNZZQI-UHFFFAOYSA-N 1 0 324.356 1.321 20 5 DDBDRO CSCC[C@@H]([NH3+])C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000579227202 422727309 /nfs/dbraw/zinc/72/73/09/422727309.db2.gz UGNSBNGLVFECNM-GFCCVEGCSA-N 1 0 313.379 1.170 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@]12CCOC2 ZINC000341956075 271259289 /nfs/dbraw/zinc/25/92/89/271259289.db2.gz SKIYNELTTRYQKY-BBRMVZONSA-N 1 0 322.361 1.589 20 5 DDBDRO Cn1c(C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000344603833 272068951 /nfs/dbraw/zinc/06/89/51/272068951.db2.gz KILAGCKQFWADIH-GFCCVEGCSA-N 1 0 306.366 1.634 20 5 DDBDRO C[NH2+]C[C@H]1CCCN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000161242469 273967593 /nfs/dbraw/zinc/96/75/93/273967593.db2.gz ICXJZOBSBSSWRA-SNVBAGLBSA-N 1 0 308.294 1.327 20 5 DDBDRO C[C@@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@H](C)CO ZINC000295726212 274244862 /nfs/dbraw/zinc/24/48/62/274244862.db2.gz LOJZTZIVEOIQLD-GHMZBOCLSA-N 1 0 307.350 1.090 20 5 DDBDRO Cc1cc(N2CC[NH+](CCO)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000302021258 274707064 /nfs/dbraw/zinc/70/70/64/274707064.db2.gz NWWLNBFFYRCGNT-UHFFFAOYSA-N 1 0 316.361 1.566 20 5 DDBDRO CC(=O)N1CC[C@H]([NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000331593383 275468761 /nfs/dbraw/zinc/46/87/61/275468761.db2.gz KUVSOBHFGWOELM-MJBXVCDLSA-N 1 0 321.381 1.485 20 5 DDBDRO C[N@@H+]1CCO[C@H]2CN(c3ccc([N+](=O)[O-])c4cnccc43)C[C@@H]21 ZINC000153159575 277131381 /nfs/dbraw/zinc/13/13/81/277131381.db2.gz VUKRLOGMFPPUQF-HOTGVXAUSA-N 1 0 314.345 1.662 20 5 DDBDRO C[NH2+]CCCN(C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000420387301 277267088 /nfs/dbraw/zinc/26/70/88/277267088.db2.gz KAJXPYFGYICTQF-UHFFFAOYSA-N 1 0 306.366 1.025 20 5 DDBDRO CO[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])c(C)cc2C)[C@@H](C[NH3+])C1 ZINC000423504304 277291128 /nfs/dbraw/zinc/29/11/28/277291128.db2.gz GSXZHVQVPJTPGO-CHWSQXEVSA-N 1 0 321.377 1.790 20 5 DDBDRO CNc1nc(C(=O)N2CC[N@H+](C)CC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000455657622 277303786 /nfs/dbraw/zinc/30/37/86/277303786.db2.gz DILMAMPINKGBRY-JTQLQIEISA-N 1 0 307.354 1.198 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@H](C)[NH+](C)[C@@H](C)C2)c1 ZINC000319220565 277437728 /nfs/dbraw/zinc/43/77/28/277437728.db2.gz NDNSFPZDBWAYFL-QWRGUYRKSA-N 1 0 307.350 1.910 20 5 DDBDRO C[C@H](CCCC[NH3+])NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000417774263 278168653 /nfs/dbraw/zinc/16/86/53/278168653.db2.gz YWZPWPWKRZETHT-GFCCVEGCSA-N 1 0 308.382 1.954 20 5 DDBDRO CCCN(CC[NH+]1CCCC1)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000286627877 278786484 /nfs/dbraw/zinc/78/64/84/278786484.db2.gz CPUTXNGDJJIOSU-UHFFFAOYSA-N 1 0 309.370 1.126 20 5 DDBDRO C[C@H](C[NH3+])CNC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000441611581 279288859 /nfs/dbraw/zinc/28/88/59/279288859.db2.gz OHTSYGFLKXKPOJ-RKDXNWHRSA-N 1 0 315.757 1.727 20 5 DDBDRO CCO[C@@H]1C[C@@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)[C@H]1SC ZINC000297790028 279815850 /nfs/dbraw/zinc/81/58/50/279815850.db2.gz WRJZCYLPCLBMKQ-IJLUTSLNSA-N 1 0 300.384 1.290 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCc2ccccc2CC1 ZINC000090549640 281036751 /nfs/dbraw/zinc/03/67/51/281036751.db2.gz OIFIHEXIDBDYKT-UHFFFAOYSA-N 1 0 313.357 1.857 20 5 DDBDRO C[N@@H+]1CCC[C@@H](CNC(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000120686133 281123313 /nfs/dbraw/zinc/12/33/13/281123313.db2.gz MZELINPHZARZCX-AWEZNQCLSA-N 1 0 320.393 1.778 20 5 DDBDRO C[NH2+][C@H]1CCN(S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)C1 ZINC000122751279 281161124 /nfs/dbraw/zinc/16/11/24/281161124.db2.gz GJCDDQBQGSGJNK-NSHDSACASA-N 1 0 313.379 1.194 20 5 DDBDRO C[NH+](C)C[C@@H]1CCCN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000330811636 289192689 /nfs/dbraw/zinc/19/26/89/289192689.db2.gz KHJRYPGMZPWFCK-NSHDSACASA-N 1 0 313.379 1.310 20 5 DDBDRO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@H]3CCCC[C@H]3O)CC2)n1 ZINC000573004355 304569892 /nfs/dbraw/zinc/56/98/92/304569892.db2.gz YHKBDFUOMCTISR-TZMCWYRMSA-N 1 0 308.382 1.979 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000357084927 298958755 /nfs/dbraw/zinc/95/87/55/298958755.db2.gz KHGQJBHBCNYBAH-QWHCGFSZSA-N 1 0 318.377 1.383 20 5 DDBDRO CC(C)[NH+]1CCC(Nc2nccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000357315146 299007337 /nfs/dbraw/zinc/00/73/37/299007337.db2.gz MHYFEPRKQPGPGU-UHFFFAOYSA-N 1 0 307.354 1.373 20 5 DDBDRO COC(=O)C[C@]1([NH2+]CCOc2ccc([N+](=O)[O-])cc2)CCOC1 ZINC000362271813 300040619 /nfs/dbraw/zinc/04/06/19/300040619.db2.gz XGJOUUCOFISULP-OAHLLOKOSA-N 1 0 324.333 1.285 20 5 DDBDRO CC[N@@H+]1CCc2c(cccc2NC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000362415307 300058132 /nfs/dbraw/zinc/05/81/32/300058132.db2.gz ZIZIZRDAGXHIMB-UHFFFAOYSA-N 1 0 315.333 1.948 20 5 DDBDRO C[C@H](CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)[NH+](C)C ZINC000362501473 300079693 /nfs/dbraw/zinc/07/96/93/300079693.db2.gz VKJVDRUUTUIVOI-MRVPVSSYSA-N 1 0 301.293 1.482 20 5 DDBDRO COc1ccc(CNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000362588267 300102880 /nfs/dbraw/zinc/10/28/80/300102880.db2.gz KHXCRGXFWCFQNU-CMPLNLGQSA-N 1 0 307.350 1.417 20 5 DDBDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000363020490 300199180 /nfs/dbraw/zinc/19/91/80/300199180.db2.gz LKXOZSDBLTUORI-VHSXEESVSA-N 1 0 306.322 1.052 20 5 DDBDRO O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000363616940 300288124 /nfs/dbraw/zinc/28/81/24/300288124.db2.gz YRKJPJBDRCESJV-HUUCEWRRSA-N 1 0 321.352 1.572 20 5 DDBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000288590588 300497850 /nfs/dbraw/zinc/49/78/50/300497850.db2.gz YBGGPJKZVBMZRW-RYUDHWBXSA-N 1 0 318.377 1.876 20 5 DDBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000368494286 301040645 /nfs/dbraw/zinc/04/06/45/301040645.db2.gz FIDSBTVGFZBEEI-JSGCOSHPSA-N 1 0 309.341 1.686 20 5 DDBDRO NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000368957646 301109933 /nfs/dbraw/zinc/10/99/33/301109933.db2.gz FAFWREAWUAHILJ-GLQYFDAESA-N 1 0 319.361 1.559 20 5 DDBDRO C[C@H](CO)[N@@H+]1CCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000368966165 301112378 /nfs/dbraw/zinc/11/23/78/301112378.db2.gz NLCHNDLEPWJAMO-CJNGLKHVSA-N 1 0 323.393 1.017 20 5 DDBDRO O=C(c1ccc([N+](=O)[O-])cn1)N1CCC([NH+]2CCCC2)CC1 ZINC000370513694 301355097 /nfs/dbraw/zinc/35/50/97/301355097.db2.gz KHLZZDXTJYCLIC-UHFFFAOYSA-N 1 0 304.350 1.690 20 5 DDBDRO O=[N+]([O-])c1ccn(CCN2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)n1 ZINC000377963505 302257748 /nfs/dbraw/zinc/25/77/48/302257748.db2.gz UYDKLOYVNBJCGI-MCIONIFRSA-N 1 0 305.382 1.207 20 5 DDBDRO C[C@@H]1COCC[C@H]1C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000521864916 302881401 /nfs/dbraw/zinc/88/14/01/302881401.db2.gz KMZYWCKCGUJREK-RDBSUJKOSA-N 1 0 324.377 1.597 20 5 DDBDRO COCCC[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000532143902 303277391 /nfs/dbraw/zinc/27/73/91/303277391.db2.gz PDSLPHZAMFPYMK-UHFFFAOYSA-N 1 0 322.365 1.221 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)C1CCOCC1 ZINC000532566801 303290619 /nfs/dbraw/zinc/29/06/19/303290619.db2.gz NVQHSIPWGXGCRC-UHFFFAOYSA-N 1 0 307.350 1.953 20 5 DDBDRO C[C@@H]1C[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@@H]1CO ZINC000362090446 307013995 /nfs/dbraw/zinc/01/39/95/307013995.db2.gz NHQPITCKCCIFJK-DGCLKSJQSA-N 1 0 319.361 1.044 20 5 DDBDRO COC(=O)c1cc(NC(=O)[C@H]2C[C@@]23CC[NH2+]C3)cc([N+](=O)[O-])c1 ZINC000372921356 307176631 /nfs/dbraw/zinc/17/66/31/307176631.db2.gz JMSDCVJNRYCPCL-IUODEOHRSA-N 1 0 319.317 1.320 20 5 DDBDRO C[NH+]1CCC2(CCCN(C(=O)Cn3ccc([N+](=O)[O-])n3)C2)CC1 ZINC000374155180 307203437 /nfs/dbraw/zinc/20/34/37/307203437.db2.gz ALPMUVLSIXLHOU-UHFFFAOYSA-N 1 0 321.381 1.126 20 5 DDBDRO CN1CC[NH2+]C[C@H]1CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000394830332 307295760 /nfs/dbraw/zinc/29/57/60/307295760.db2.gz ZLCFYTJBZFNDSN-JTQLQIEISA-N 1 0 318.299 1.929 20 5 DDBDRO CC(C)c1ccc(C(=O)N2CCCO[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000424018266 307301141 /nfs/dbraw/zinc/30/11/41/307301141.db2.gz ICEOQSJFELAKJT-CYBMUJFWSA-N 1 0 321.377 1.908 20 5 DDBDRO O=c1c2cc([N+](=O)[O-])cc(Cl)c2ncn1CC[C@@H]1CC[NH2+]C1 ZINC000563081817 307953448 /nfs/dbraw/zinc/95/34/48/307953448.db2.gz SJUITTUVFUFCJN-VIFPVBQESA-N 1 0 322.752 1.958 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CC1(CO)CCCC1 ZINC000563139253 307957714 /nfs/dbraw/zinc/95/77/14/307957714.db2.gz XDJQEHRKXKKOHD-ZDUSSCGKSA-N 1 0 324.377 1.477 20 5 DDBDRO CC(C)[NH+]1CCN([C@@H]2CCN(c3ccc([N+](=O)[O-])nc3)C2)CC1 ZINC000563506937 307972277 /nfs/dbraw/zinc/97/22/77/307972277.db2.gz KXBWIJJOKQSADW-OAHLLOKOSA-N 1 0 319.409 1.595 20 5 DDBDRO CC[C@H]1C[N@H+](C)CCN1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000567105347 308071413 /nfs/dbraw/zinc/07/14/13/308071413.db2.gz BQVPUARPGJKUJE-ZDUSSCGKSA-N 1 0 320.393 1.868 20 5 DDBDRO CCOc1cc(C(=O)NC(C)(C)C[NH3+])c([N+](=O)[O-])cc1OC ZINC000569920523 308154846 /nfs/dbraw/zinc/15/48/46/308154846.db2.gz ZSYUBTYSPKGLSJ-UHFFFAOYSA-N 1 0 311.338 1.469 20 5 DDBDRO C[C@](C[NH3+])(NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)C1CC1 ZINC000576219778 308297868 /nfs/dbraw/zinc/29/78/68/308297868.db2.gz NNVDUTWKPQTKTM-OAHLLOKOSA-N 1 0 321.333 1.223 20 5 DDBDRO O=C(/C=C\c1ccccc1[N+](=O)[O-])N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000389110719 325774142 /nfs/dbraw/zinc/77/41/42/325774142.db2.gz KMUJPDVMCNQZBY-OGZRUICASA-N 1 0 301.346 1.820 20 5 DDBDRO Cc1cc(S(=O)(=O)NC(C)(C)CC[NH3+])c(C)cc1[N+](=O)[O-] ZINC000582677704 337122520 /nfs/dbraw/zinc/12/25/20/337122520.db2.gz TVPJIOOKMVKIAT-UHFFFAOYSA-N 1 0 315.395 1.617 20 5 DDBDRO [NH3+]CC1(O)CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000582784953 337161140 /nfs/dbraw/zinc/16/11/40/337161140.db2.gz MCGOKDNLXXVSGD-UHFFFAOYSA-N 1 0 319.317 1.267 20 5 DDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H]2C[C@H]2C2CC2)cc1 ZINC000584465743 337347050 /nfs/dbraw/zinc/34/70/50/337347050.db2.gz ZZCQWVDZXORSBG-UONOGXRCSA-N 1 0 310.375 1.757 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000307816207 484376848 /nfs/dbraw/zinc/37/68/48/484376848.db2.gz LAMOJQWUBAIGJO-SNVBAGLBSA-N 1 0 305.256 1.913 20 5 DDBDRO CC[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000182318314 490689014 /nfs/dbraw/zinc/68/90/14/490689014.db2.gz VCAWSZZXMRKBRZ-OCCSQVGLSA-N 1 0 307.350 1.741 20 5 DDBDRO COC(=O)c1cc(C(=O)N[C@H]2CCC[C@@H]2C[NH3+])cc([N+](=O)[O-])c1 ZINC000422865484 533742638 /nfs/dbraw/zinc/74/26/38/533742638.db2.gz OXUGVSVDKWCTAL-RNCFNFMXSA-N 1 0 321.333 1.239 20 5 DDBDRO Cc1c(CN2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000451659894 533847178 /nfs/dbraw/zinc/84/71/78/533847178.db2.gz CMQAYFNMYLCWMG-BETUJISGSA-N 1 0 307.394 1.790 20 5 DDBDRO COc1ccc(NC(=O)C[NH2+][C@@H]2CCC[C@H]2OC)c([N+](=O)[O-])c1 ZINC000451632175 534082257 /nfs/dbraw/zinc/08/22/57/534082257.db2.gz NLVUYKDMDRPUTH-TZMCWYRMSA-N 1 0 323.349 1.699 20 5 DDBDRO O=[N+]([O-])c1ccc2[nH]c(NCC[NH+]3CCC(O)CC3)nc2c1 ZINC000295658029 534883911 /nfs/dbraw/zinc/88/39/11/534883911.db2.gz AMSOBOBRNQYCES-UHFFFAOYSA-N 1 0 305.338 1.340 20 5 DDBDRO CC(=O)c1ccc(NCCCN2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000299463984 527316310 /nfs/dbraw/zinc/31/63/10/527316310.db2.gz YLRUXEWVZKIUQE-UHFFFAOYSA-N 1 0 320.393 1.847 20 5 DDBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H](O)[C@@H](CO)C1 ZINC000414564654 527528455 /nfs/dbraw/zinc/52/84/55/527528455.db2.gz XVSSKKCMRHFVMZ-JQIVSHAJSA-N 1 0 306.362 1.673 20 5 DDBDRO CC(C)OC[C@H](CO)[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000433246382 528024784 /nfs/dbraw/zinc/02/47/84/528024784.db2.gz LNVPGDBPMAMSOU-AWEZNQCLSA-N 1 0 312.366 1.691 20 5 DDBDRO CCNC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000294800446 528144502 /nfs/dbraw/zinc/14/45/02/528144502.db2.gz OYRVUESBQJRPDY-CMPLNLGQSA-N 1 0 321.381 1.631 20 5 DDBDRO CCOC(=O)c1cc(C(=O)NC[C@H]([NH3+])C(C)C)cc([N+](=O)[O-])c1 ZINC000422845899 528147888 /nfs/dbraw/zinc/14/78/88/528147888.db2.gz DARIEZCNSOCEHN-ZDUSSCGKSA-N 1 0 323.349 1.485 20 5 DDBDRO CCOc1ccc(C(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000429175648 528394550 /nfs/dbraw/zinc/39/45/50/528394550.db2.gz KFQUHWROROVYDW-CMPLNLGQSA-N 1 0 307.350 1.803 20 5 DDBDRO CC(C)[N@@H+](Cc1cccnc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000305712145 528956856 /nfs/dbraw/zinc/95/68/56/528956856.db2.gz YFLOAENFMACBBY-OAHLLOKOSA-N 1 0 319.365 1.458 20 5 DDBDRO CC1(C)COC[C@H]1[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000451808074 529134470 /nfs/dbraw/zinc/13/44/70/529134470.db2.gz ILCBGOZUEOEGSQ-CYBMUJFWSA-N 1 0 307.350 1.938 20 5 DDBDRO CCCC[N@H+](C)CCNc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000736453912 598772546 /nfs/dbraw/zinc/77/25/46/598772546.db2.gz SSKATAFZRRGQAS-UHFFFAOYSA-N 1 0 320.357 1.314 20 5 DDBDRO C[C@H](CNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000820281953 606706063 /nfs/dbraw/zinc/70/60/63/606706063.db2.gz ZSYFWWKZHZLXJL-MRVPVSSYSA-N 1 0 318.341 1.065 20 5 DDBDRO C[C@@H]1C[C@@H](Nc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC[N@@H+]1C ZINC000820669005 606711576 /nfs/dbraw/zinc/71/15/76/606711576.db2.gz YKKPZWLSYHOSIN-BDAKNGLRSA-N 1 0 318.341 1.065 20 5 DDBDRO CC(C)(CO)[NH+]1CCN(c2ccc([N+](=O)[O-])c3nonc32)CC1 ZINC000747620645 700078003 /nfs/dbraw/zinc/07/80/03/700078003.db2.gz DEZUMLQKMSVFJR-UHFFFAOYSA-N 1 0 321.337 1.024 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCC[NH+]1CCCC1 ZINC000072634469 696395091 /nfs/dbraw/zinc/39/50/91/696395091.db2.gz AZHJBNZGPSZSNG-UHFFFAOYSA-N 1 0 306.366 1.486 20 5 DDBDRO CC(=O)NC1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000153824935 696922717 /nfs/dbraw/zinc/92/27/17/696922717.db2.gz XQEAVJMHVCAJQN-HNNXBMFYSA-N 1 0 307.350 1.229 20 5 DDBDRO Cc1c(C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000153869284 696923071 /nfs/dbraw/zinc/92/30/71/696923071.db2.gz XTNBGFJDFHMMHP-RKDXNWHRSA-N 1 0 322.321 1.634 20 5 DDBDRO CC(C)(C)[NH2+]CCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000153857624 696923211 /nfs/dbraw/zinc/92/32/11/696923211.db2.gz LJCVLEVOSJLTCU-UHFFFAOYSA-N 1 0 310.310 1.621 20 5 DDBDRO Cc1nn(C)c(C)c1C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000749683296 700176644 /nfs/dbraw/zinc/17/66/44/700176644.db2.gz OCYDNTWZQXCDOC-OAHLLOKOSA-N 1 0 304.350 1.768 20 5 DDBDRO CC(C)C[NH+]1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776574974 698119749 /nfs/dbraw/zinc/11/97/49/698119749.db2.gz MUNYJKGVURHNFC-INIZCTEOSA-N 1 0 307.394 1.902 20 5 DDBDRO CC[C@@H](CO)[NH+]1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776589161 698123024 /nfs/dbraw/zinc/12/30/24/698123024.db2.gz PQXRKPRRYPZSIK-HOCLYGCPSA-N 1 0 323.393 1.017 20 5 DDBDRO CC(C)N1CCO[C@@H](C(=[NH2+])NOCc2ccc([N+](=O)[O-])cc2)C1 ZINC000779649654 698448035 /nfs/dbraw/zinc/44/80/35/698448035.db2.gz KAMKJPJAPSFMAZ-CQSZACIVSA-N 1 0 322.365 1.702 20 5 DDBDRO C[C@@H]1CCC[N@@H+]1CCNS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000780867222 698565856 /nfs/dbraw/zinc/56/58/56/698565856.db2.gz NIYIPRMQGAXSKH-SECBINFHSA-N 1 0 319.408 1.419 20 5 DDBDRO C[C@H]([NH3+])CN(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000311397212 698673177 /nfs/dbraw/zinc/67/31/77/698673177.db2.gz PRJCHBGFVKQSFN-ZETCQYMHSA-N 1 0 307.759 1.216 20 5 DDBDRO C[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C1CC(O)C1 ZINC000782543663 698736031 /nfs/dbraw/zinc/73/60/31/698736031.db2.gz IBYDZQIEAPWKTI-UHFFFAOYSA-N 1 0 311.313 1.518 20 5 DDBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@]2(CCC[NH2+]2)C1 ZINC000420394106 699138970 /nfs/dbraw/zinc/13/89/70/699138970.db2.gz ABSWVUFZSMHLKD-BLLLJJGKSA-N 1 0 318.377 1.750 20 5 DDBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000420413670 699139521 /nfs/dbraw/zinc/13/95/21/699139521.db2.gz ZWCGWUGTIRDENY-BLLLJJGKSA-N 1 0 318.377 1.750 20 5 DDBDRO COC[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCO1 ZINC000789384747 699383422 /nfs/dbraw/zinc/38/34/22/699383422.db2.gz ZQDOITRPNQAWHQ-RRFJBIMHSA-N 1 0 310.350 1.412 20 5 DDBDRO C[C@@H]1OCC[C@]1(O)C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000789776522 699408503 /nfs/dbraw/zinc/40/85/03/699408503.db2.gz GEYPBJDJMPNXKT-ZANVPECISA-N 1 0 300.742 1.878 20 5 DDBDRO O=C(OCCn1cc([N+](=O)[O-])cn1)c1ccc2c[nH+]cn2c1 ZINC000792551499 699702952 /nfs/dbraw/zinc/70/29/52/699702952.db2.gz NLMDAZAMZSCPQP-UHFFFAOYSA-N 1 0 301.262 1.296 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[N@H+](C)[C@@H](C)C1 ZINC000761075343 700839475 /nfs/dbraw/zinc/83/94/75/700839475.db2.gz FGXWOGKERPBQMX-NSHDSACASA-N 1 0 322.365 1.178 20 5 DDBDRO O=[N+]([O-])c1ccc(-c2nnc(C[NH2+][C@H](CCO)C3CC3)o2)cc1 ZINC000763062318 700923378 /nfs/dbraw/zinc/92/33/78/700923378.db2.gz DHWBCMXOEMICFF-CYBMUJFWSA-N 1 0 318.333 1.895 20 5 DDBDRO CC(C)OC[C@H](CO)[N@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000763876571 700951645 /nfs/dbraw/zinc/95/16/45/700951645.db2.gz UYGFDXFLXQIWBJ-LSDHHAIUSA-N 1 0 312.366 1.346 20 5 DDBDRO O=C(C[NH2+][C@@H](CCO)C1CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000771802007 701331328 /nfs/dbraw/zinc/33/13/28/701331328.db2.gz VKCLZVKHGJLORW-AWEZNQCLSA-N 1 0 319.361 1.235 20 5 DDBDRO O=C1[C@@H]([NH2+][C@@H](CCO)C2CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000771802057 701331334 /nfs/dbraw/zinc/33/13/34/701331334.db2.gz MWTJAARTNYQMBS-GJZGRUSLSA-N 1 0 319.361 1.451 20 5 DDBDRO Cn1ncc2c1CCC[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000839625965 701757521 /nfs/dbraw/zinc/75/75/21/701757521.db2.gz YVRNGRUXMDZMLS-MRXNPFEDSA-N 1 0 316.361 1.810 20 5 DDBDRO C[NH+]1CC2(C1)CCN(C(=O)Cc1cccc(F)c1[N+](=O)[O-])C2 ZINC000867833729 701783071 /nfs/dbraw/zinc/78/30/71/701783071.db2.gz NFWKWYIPZADPFH-UHFFFAOYSA-N 1 0 307.325 1.441 20 5 DDBDRO C[C@@]([NH3+])(C(=O)NCCC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000867927970 701835391 /nfs/dbraw/zinc/83/53/91/701835391.db2.gz SQYYIURCHODPLH-NSHDSACASA-N 1 0 305.256 1.837 20 5 DDBDRO C[C@H]([NH2+][C@@H](CO)C1CCOCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815615855 701904514 /nfs/dbraw/zinc/90/45/14/701904514.db2.gz ZGAZNZYHYDBYDQ-HZMBPMFUSA-N 1 0 309.366 1.615 20 5 DDBDRO Cc1nn(CN2C[C@H]3CC[N@@H+](C)[C@H]3C2)c2cc([N+](=O)[O-])ccc12 ZINC000840133213 701988227 /nfs/dbraw/zinc/98/82/27/701988227.db2.gz QPYRWKBOSNRNDE-WBMJQRKESA-N 1 0 315.377 1.846 20 5 DDBDRO COCC[N@H+](C)CCNC(=O)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000868216838 702003583 /nfs/dbraw/zinc/00/35/83/702003583.db2.gz LRGYYXUALCKIIO-UHFFFAOYSA-N 1 0 324.381 1.281 20 5 DDBDRO C[NH+](C)[C@@H]1CCCN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000831116054 706637525 /nfs/dbraw/zinc/63/75/25/706637525.db2.gz UUFOMTAWTLUAOH-UKRRQHHQSA-N 1 0 321.377 1.571 20 5 DDBDRO Cc1nc(N(C)CC[NH+]2CC3(C2)CCOCC3)ccc1[N+](=O)[O-] ZINC000866257764 706659470 /nfs/dbraw/zinc/65/94/70/706659470.db2.gz KZOJZGRDOFPTMY-UHFFFAOYSA-N 1 0 320.393 1.847 20 5 DDBDRO C[NH+]1CCC(N(C(=O)[C@@H]2CC2[N+](=O)[O-])c2ccccc2)CC1 ZINC000841061600 702330581 /nfs/dbraw/zinc/33/05/81/702330581.db2.gz LIHNFCJVASWGMA-HUUCEWRRSA-N 1 0 303.362 1.779 20 5 DDBDRO Cc1nn(CN(C)C[C@H]2CCC[N@@H+]2C)c2ncc([N+](=O)[O-])cc12 ZINC000817371664 702358551 /nfs/dbraw/zinc/35/85/51/702358551.db2.gz BQERKUSTZGFWMK-GFCCVEGCSA-N 1 0 318.381 1.631 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000818016904 702555180 /nfs/dbraw/zinc/55/51/80/702555180.db2.gz RDGLCNFYRZAKIK-HNNXBMFYSA-N 1 0 323.324 1.467 20 5 DDBDRO CC(C)C[C@](C)(C[NH3+])NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000842723613 702763078 /nfs/dbraw/zinc/76/30/78/702763078.db2.gz WEXVGWMPIQPKEB-LLVKDONJSA-N 1 0 321.424 1.698 20 5 DDBDRO Cc1cc(S(=O)(=O)N[C@H](C)[C@@H](C)[NH3+])cc([N+](=O)[O-])c1F ZINC000842882499 702786596 /nfs/dbraw/zinc/78/65/96/702786596.db2.gz QRPPQBPULQDFDA-HTQZYQBOSA-N 1 0 305.331 1.056 20 5 DDBDRO [NH3+]CCCCCCNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000842923345 702791555 /nfs/dbraw/zinc/79/15/55/702791555.db2.gz XLROKUUZKFJSOQ-UHFFFAOYSA-N 1 0 319.358 1.531 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@@H](O)C2CCOCC2)cc1 ZINC000843082901 702815504 /nfs/dbraw/zinc/81/55/04/702815504.db2.gz LZGINFVVAUJDHZ-LSDHHAIUSA-N 1 0 310.350 1.005 20 5 DDBDRO Cc1ccc([C@H](O)C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)o1 ZINC000843089839 702816780 /nfs/dbraw/zinc/81/67/80/702816780.db2.gz TVHYKYVSQFWDMM-UONOGXRCSA-N 1 0 306.318 1.853 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@@H](CO)CN2CCCCC2)cc1 ZINC000843112602 702821148 /nfs/dbraw/zinc/82/11/48/702821148.db2.gz IRMFVOHOFICZPS-ZBFHGGJFSA-N 1 0 323.393 1.065 20 5 DDBDRO C[NH2+]C[C@H](C)c1nc(CCNc2ccccc2[N+](=O)[O-])no1 ZINC000843184699 702835665 /nfs/dbraw/zinc/83/56/65/702835665.db2.gz HSZDERDLQKCLCS-JTQLQIEISA-N 1 0 305.338 1.955 20 5 DDBDRO COc1cc(Cc2noc(C3(C[NH3+])CC3)n2)ccc1[N+](=O)[O-] ZINC000843191548 702838049 /nfs/dbraw/zinc/83/80/49/702838049.db2.gz IXVATHOFYGYSIL-UHFFFAOYSA-N 1 0 304.306 1.568 20 5 DDBDRO Cc1ccc([C@H](C)NC(=O)CO[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000843447214 702884485 /nfs/dbraw/zinc/88/44/85/702884485.db2.gz BLFMWJLITUOPHJ-JSGCOSHPSA-N 1 0 321.377 1.849 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(C[C@@H](O)c3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000879580627 706727218 /nfs/dbraw/zinc/72/72/18/706727218.db2.gz IPUKDFVUHYLSFV-FVQBIDKESA-N 1 0 305.378 1.654 20 5 DDBDRO C[C@@H]1CCCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)[C@H]1CC[NH3+] ZINC000846693388 703318760 /nfs/dbraw/zinc/31/87/60/703318760.db2.gz GNYDIHZLRHMPOT-MFKMUULPSA-N 1 0 306.366 1.767 20 5 DDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000848351488 703542039 /nfs/dbraw/zinc/54/20/39/703542039.db2.gz DMEYMQSLYYIMTC-LSDHHAIUSA-N 1 0 318.377 1.924 20 5 DDBDRO CO[C@H](C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000849326620 703635806 /nfs/dbraw/zinc/63/58/06/703635806.db2.gz CSGNVXKSGNTEGX-BPLDGKMQSA-N 1 0 310.350 1.269 20 5 DDBDRO CCO[C@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1)C[NH+](C)C ZINC000831750868 706770755 /nfs/dbraw/zinc/77/07/55/706770755.db2.gz AESWCEHNHQKOTJ-CYBMUJFWSA-N 1 0 313.329 1.430 20 5 DDBDRO CC[C@H]1CN(C)CCN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000818978642 704041059 /nfs/dbraw/zinc/04/10/59/704041059.db2.gz XUUTXXOVYBHXKP-NSHDSACASA-N 1 0 322.321 1.669 20 5 DDBDRO CO[C@@H](C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000819067243 704064677 /nfs/dbraw/zinc/06/46/77/704064677.db2.gz HJWFZSGFRAGHMC-MNOVXSKESA-N 1 0 308.256 1.795 20 5 DDBDRO CC(C)C(=O)NCCC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819189198 704083718 /nfs/dbraw/zinc/08/37/18/704083718.db2.gz QHSNQSUJMMMEJN-AWEZNQCLSA-N 1 0 309.366 1.380 20 5 DDBDRO COCC1(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000819326477 704107690 /nfs/dbraw/zinc/10/76/90/704107690.db2.gz PFBLEUSNWJELOZ-OAHLLOKOSA-N 1 0 324.377 1.661 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC000871153022 704231590 /nfs/dbraw/zinc/23/15/90/704231590.db2.gz CRLMCKCXRVZBBN-UHFFFAOYSA-N 1 0 309.370 1.042 20 5 DDBDRO C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@@H]3c3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000820272084 704250512 /nfs/dbraw/zinc/25/05/12/704250512.db2.gz JGIOFBOYOXQOLY-LCGIIJARSA-N 1 0 315.373 1.861 20 5 DDBDRO O=[N+]([O-])c1ccc2c(cnn2C[N@@H+]2CC[C@H]3COC[C@H]3C2)c1 ZINC000853586439 704276424 /nfs/dbraw/zinc/27/64/24/704276424.db2.gz RMQXRUCMLFGDFL-WCQYABFASA-N 1 0 302.334 1.870 20 5 DDBDRO C[NH+]1CCC(ONC(=O)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000854357323 704385407 /nfs/dbraw/zinc/38/54/07/704385407.db2.gz ZFVUROVTUWOOET-UHFFFAOYSA-N 1 0 323.349 1.506 20 5 DDBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000855159445 704471531 /nfs/dbraw/zinc/47/15/31/704471531.db2.gz AMUBXRNLFFMIBM-JTQLQIEISA-N 1 0 321.381 1.422 20 5 DDBDRO CC[C@@H]1CN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@H](C)[NH2+]1 ZINC000856407637 704527378 /nfs/dbraw/zinc/52/73/78/704527378.db2.gz WCHAWCUXDBSKLA-ZKYQVNSYSA-N 1 0 307.350 1.227 20 5 DDBDRO [NH3+]C[C@H]1CCCN1C(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857767576 704622693 /nfs/dbraw/zinc/62/26/93/704622693.db2.gz GJFWFUGUKDASJP-SNVBAGLBSA-N 1 0 315.276 1.516 20 5 DDBDRO C[C@H]([NH2+][C@@H]1CCN(C2CCC2)C1=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000858603911 704733643 /nfs/dbraw/zinc/73/36/43/704733643.db2.gz XTJLJHHRFBFHBY-IINYFYTJSA-N 1 0 318.377 1.981 20 5 DDBDRO C[NH2+]CCOCCNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000859615334 704951574 /nfs/dbraw/zinc/95/15/74/704951574.db2.gz IEVYYPMVOKFDJI-UHFFFAOYSA-N 1 0 316.745 1.606 20 5 DDBDRO O=[N+]([O-])c1ccccc1Cc1noc(C[C@H]2COCC[NH2+]2)n1 ZINC000822646355 704995725 /nfs/dbraw/zinc/99/57/25/704995725.db2.gz FUNPFYZWAFUITK-NSHDSACASA-N 1 0 304.306 1.100 20 5 DDBDRO O=[N+]([O-])c1ccccc1Cc1noc(C[C@@H]2COCC[NH2+]2)n1 ZINC000822646354 704995924 /nfs/dbraw/zinc/99/59/24/704995924.db2.gz FUNPFYZWAFUITK-LLVKDONJSA-N 1 0 304.306 1.100 20 5 DDBDRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)COc1ccccc1[N+](=O)[O-] ZINC000874851036 705204191 /nfs/dbraw/zinc/20/41/91/705204191.db2.gz ZCGGRJPAIMYLEC-QWHCGFSZSA-N 1 0 319.361 1.669 20 5 DDBDRO O=C(NCCC[NH+]1CCCC1)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000823931493 705341071 /nfs/dbraw/zinc/34/10/71/705341071.db2.gz KOQJIQXNAPXUMH-CQSZACIVSA-N 1 0 307.350 1.230 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)Nc3ccc(N)c([N+](=O)[O-])c3)C[C@@H]21 ZINC000823933274 705341790 /nfs/dbraw/zinc/34/17/90/705341790.db2.gz NQBMPQLMPAZNJG-RNCFNFMXSA-N 1 0 305.338 1.345 20 5 DDBDRO COC1([C@@H](C)[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000834570610 707088348 /nfs/dbraw/zinc/08/83/48/707088348.db2.gz IXPSCVKFRMNJST-DOMZBBRYSA-N 1 0 324.377 1.802 20 5 DDBDRO C[C@H](CNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)[N@H+](C)C1CC1 ZINC000825664408 705710478 /nfs/dbraw/zinc/71/04/78/705710478.db2.gz FAAVRXXHNGPZMH-QMTHXVAHSA-N 1 0 307.350 1.227 20 5 DDBDRO COCC[N@@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2F)C1 ZINC000826796583 705873601 /nfs/dbraw/zinc/87/36/01/705873601.db2.gz LJFDZXIWHZCJEQ-JTQLQIEISA-N 1 0 311.313 1.184 20 5 DDBDRO C[C@@H]1CCCCN1CC[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000876930608 705928883 /nfs/dbraw/zinc/92/88/83/705928883.db2.gz BSXFYODIMMBPHJ-IYXRBSQSSA-N 1 0 307.398 1.959 20 5 DDBDRO COc1cc([N+](=O)[O-])c(C(=O)N(C)C[C@@H](C)[NH3+])cc1SC ZINC000877099543 705983126 /nfs/dbraw/zinc/98/31/26/705983126.db2.gz LSUHGXGWYUQVTG-MRVPVSSYSA-N 1 0 313.379 1.745 20 5 DDBDRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)COc1ccccc1[N+](=O)[O-])C2 ZINC000877379196 706087067 /nfs/dbraw/zinc/08/70/67/706087067.db2.gz FBNAOAVVIYNJHF-XHDPSFHLSA-N 1 0 305.334 1.042 20 5 DDBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)C[C@@]1(O)CCc2ccccc21 ZINC000829338052 706320614 /nfs/dbraw/zinc/32/06/14/706320614.db2.gz QLFNREHEVAQVMW-INIZCTEOSA-N 1 0 316.361 1.557 20 5 DDBDRO CC(C)[C@H](O)CC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000878251195 706338911 /nfs/dbraw/zinc/33/89/11/706338911.db2.gz HPDSOKAPRYAFNY-TZMCWYRMSA-N 1 0 308.382 1.883 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)COc3ccc([N+](=O)[O-])c(F)c3)C[C@@H]21 ZINC000834310878 707027481 /nfs/dbraw/zinc/02/74/81/707027481.db2.gz ZJEHKXJIMIGHKM-YGRLFVJLSA-N 1 0 323.324 1.275 20 5 DDBDRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2c1nc2sccn2c1[N+](=O)[O-] ZINC000872779841 707597009 /nfs/dbraw/zinc/59/70/09/707597009.db2.gz IWZUHWKZZBEOFM-VHSXEESVSA-N 1 0 307.379 1.977 20 5 DDBDRO C[N@@H+]1CCC[C@@H](CCNC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000838149919 707854831 /nfs/dbraw/zinc/85/48/31/707854831.db2.gz QVFGMSBKQPIDNR-WFASDCNBSA-N 1 0 321.377 1.476 20 5 DDBDRO C[NH+](C)CCn1nccc1NC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000839392233 708046075 /nfs/dbraw/zinc/04/60/75/708046075.db2.gz DRUBWWAUDPFFGG-UHFFFAOYSA-N 1 0 321.312 1.744 20 5 DDBDRO COC(=O)c1ccnc(N2CCC23CC[NH+](C)CC3)c1[N+](=O)[O-] ZINC000897132127 708236781 /nfs/dbraw/zinc/23/67/81/708236781.db2.gz HFYHEJNUXOXXBO-UHFFFAOYSA-N 1 0 320.349 1.451 20 5 DDBDRO O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000885855208 708640348 /nfs/dbraw/zinc/64/03/48/708640348.db2.gz LCURRHHWJRFSGG-OAHLLOKOSA-N 1 0 319.361 1.578 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000886568812 708778013 /nfs/dbraw/zinc/77/80/13/708778013.db2.gz WWTDEZXCZGGUPV-FRRDWIJNSA-N 1 0 324.402 1.629 20 5 DDBDRO [NH3+]C[C@@H]1CN(Cc2cccnc2[N+](=O)[O-])CC[C@H]1C(F)(F)F ZINC000886841856 708859542 /nfs/dbraw/zinc/85/95/42/708859542.db2.gz YNFYKUCCODILLF-GHMZBOCLSA-N 1 0 318.299 1.949 20 5 DDBDRO COCC[C@@H]1C[NH2+]CCN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000900485705 709618510 /nfs/dbraw/zinc/61/85/10/709618510.db2.gz PRFSXLHDDXMPLS-CYBMUJFWSA-N 1 0 308.338 1.437 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC([NH2+]C2CCC2)CC1 ZINC000889829875 709651198 /nfs/dbraw/zinc/65/11/98/709651198.db2.gz YGAGOHHRTFTFJN-UHFFFAOYSA-N 1 0 307.354 1.075 20 5 DDBDRO Cc1c(CC(=O)N2CC[C@H]([NH+]3CCC3)C2)cccc1[N+](=O)[O-] ZINC000912912431 713121922 /nfs/dbraw/zinc/12/19/22/713121922.db2.gz AZHVPLASTVZRMC-AWEZNQCLSA-N 1 0 303.362 1.752 20 5 DDBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912928337 713127012 /nfs/dbraw/zinc/12/70/12/713127012.db2.gz IIFBIAIOLSQEMJ-IJVDHGTGSA-N 1 0 301.346 1.915 20 5 DDBDRO CC[N@@H+]1CCCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000910281245 709863490 /nfs/dbraw/zinc/86/34/90/709863490.db2.gz WUBRYEMGKNMRRW-JTQLQIEISA-N 1 0 308.338 1.252 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000891346537 710167026 /nfs/dbraw/zinc/16/70/26/710167026.db2.gz YRESJGTUXRFOAD-ZDUSSCGKSA-N 1 0 313.333 1.479 20 5 DDBDRO Cc1ccc(CNC(=O)N[C@H]2CC23CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000892266872 710406554 /nfs/dbraw/zinc/40/65/54/710406554.db2.gz IEBMOYHTEBZFRR-AWEZNQCLSA-N 1 0 318.377 1.845 20 5 DDBDRO Cc1cc(OCC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000928438151 713196117 /nfs/dbraw/zinc/19/61/17/713196117.db2.gz SQQVRENQUJVQMG-DGCLKSJQSA-N 1 0 307.350 1.491 20 5 DDBDRO COc1c(O)ccc(CNCC[N@@H+]2CCC[C@H]2C)c1[N+](=O)[O-] ZINC000893355038 710614288 /nfs/dbraw/zinc/61/42/88/710614288.db2.gz BPJVAMSVMSDMTM-LLVKDONJSA-N 1 0 309.366 1.883 20 5 DDBDRO CCc1n[nH]c(C(=O)N2CCC(C)([NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000913399330 713208253 /nfs/dbraw/zinc/20/82/53/713208253.db2.gz YAQBBFZUOVJJOJ-UHFFFAOYSA-N 1 0 309.370 1.437 20 5 DDBDRO COc1cc([C@H](C)NC[C@@H](O)C[NH+]2CCCC2)cc([N+](=O)[O-])c1 ZINC000903076273 711025694 /nfs/dbraw/zinc/02/56/94/711025694.db2.gz MJOGSNOXBMWZDP-SWLSCSKDSA-N 1 0 323.393 1.711 20 5 DDBDRO COc1cc([C@@H](C)[NH2+]CC[C@@]2(O)CCOC2)cc([N+](=O)[O-])c1 ZINC000903194145 711060320 /nfs/dbraw/zinc/06/03/20/711060320.db2.gz JFWGPUGNWGUEGM-IAQYHMDHSA-N 1 0 310.350 1.796 20 5 DDBDRO O=C(CN[C@@H]1CC[NH2+]C12CCC2)Nc1ccccc1[N+](=O)[O-] ZINC000903465583 711134648 /nfs/dbraw/zinc/13/46/48/711134648.db2.gz KGAWIEUWDUPUAN-CYBMUJFWSA-N 1 0 304.350 1.408 20 5 DDBDRO CC[C@H]1C[N@H+](C)CCN1Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000894641749 711226858 /nfs/dbraw/zinc/22/68/58/711226858.db2.gz XIWGEZUGBVUUBY-LBPRGKRZSA-N 1 0 309.366 1.835 20 5 DDBDRO CON(C)C(=O)C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000895043259 711382586 /nfs/dbraw/zinc/38/25/86/711382586.db2.gz UALOTWZNQMWJCC-TZMCWYRMSA-N 1 0 321.377 1.915 20 5 DDBDRO COC[C@H]1C[NH2+]CCN1C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000904272703 711422149 /nfs/dbraw/zinc/42/21/49/711422149.db2.gz HWBNKTVSNBTOEO-GFCCVEGCSA-N 1 0 308.338 1.355 20 5 DDBDRO COc1c(O)ccc(CN2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000895844009 711623326 /nfs/dbraw/zinc/62/33/26/711623326.db2.gz QUPOVPYPHJETEN-AAEUAGOBSA-N 1 0 321.377 1.835 20 5 DDBDRO COC[C@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)[C@@H]1CCCOC1 ZINC000895859345 711627713 /nfs/dbraw/zinc/62/77/13/711627713.db2.gz PWLXCWOVHALEOZ-LPXQKFACSA-N 1 0 324.381 1.526 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCN2C)c1 ZINC000896558124 711751422 /nfs/dbraw/zinc/75/14/22/711751422.db2.gz YDZHAUNCFOVBHJ-WFASDCNBSA-N 1 0 320.393 1.267 20 5 DDBDRO C[C@@]1(CN2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCC[NH2+]C1 ZINC000904307541 711839428 /nfs/dbraw/zinc/83/94/28/711839428.db2.gz CUHDPGZHGWVMRI-MRXNPFEDSA-N 1 0 319.409 1.502 20 5 DDBDRO C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000914432252 713395067 /nfs/dbraw/zinc/39/50/67/713395067.db2.gz MBOQTXNAQWAPLS-BETUJISGSA-N 1 0 318.377 1.702 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21 ZINC000929090340 713543764 /nfs/dbraw/zinc/54/37/64/713543764.db2.gz BDLYBPKHKQYGKA-ZWNOBZJWSA-N 1 0 320.349 1.771 20 5 DDBDRO C[C@@H](CNC(=O)CCn1cc([N+](=O)[O-])cn1)[NH+]1CCCCC1 ZINC000920741648 713691214 /nfs/dbraw/zinc/69/12/14/713691214.db2.gz PLTNQFODOVDTQQ-LBPRGKRZSA-N 1 0 309.370 1.172 20 5 DDBDRO C[C@H]1CC[N@H+](CC[N+](=O)[O-])C[C@H]1CNC(=O)OC(C)(C)C ZINC000930684315 713895897 /nfs/dbraw/zinc/89/58/97/713895897.db2.gz OVJANDGHURFVPJ-NWDGAFQWSA-N 1 0 301.387 1.746 20 5 DDBDRO COc1ccc(NC(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000930770130 713916073 /nfs/dbraw/zinc/91/60/73/713916073.db2.gz VUFUOCDWENYWIM-MFKMUULPSA-N 1 0 320.349 1.771 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[C@H]([NH+](C)C)[C@@H]2C)c1 ZINC000931038712 713988243 /nfs/dbraw/zinc/98/82/43/713988243.db2.gz RYDILZWRALGNMK-FZMZJTMJSA-N 1 0 321.377 1.906 20 5 DDBDRO C[NH+](C)CC1(O)CCN(Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000931480593 714107802 /nfs/dbraw/zinc/10/78/02/714107802.db2.gz ZXKFNDGYSGAJPS-UHFFFAOYSA-N 1 0 311.357 1.622 20 5 DDBDRO COc1ccc(CN2CCC(O)(C[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000931486433 714109138 /nfs/dbraw/zinc/10/91/38/714109138.db2.gz PZSGIRVCLZKOEG-UHFFFAOYSA-N 1 0 323.393 1.492 20 5 DDBDRO COc1ccc(C[NH2+]C[C@@H]2C[C@@H]3COC[C@@H]3O2)cc1[N+](=O)[O-] ZINC000922726734 714128988 /nfs/dbraw/zinc/12/89/88/714128988.db2.gz YGNRNJSUFYOCRQ-XUJVJEKNSA-N 1 0 308.334 1.497 20 5 DDBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@H](C3OCCO3)C2)c1 ZINC000932009872 714234038 /nfs/dbraw/zinc/23/40/38/714234038.db2.gz IVQRCOOMWHDDAU-LBPRGKRZSA-N 1 0 308.334 1.668 20 5 DDBDRO O=[N+]([O-])c1ccccc1CN(C[C@@H]1CC2(C[NH2+]C2)CO1)C1CC1 ZINC000923370247 714330985 /nfs/dbraw/zinc/33/09/85/714330985.db2.gz TZSWYTDVSJSOBZ-HNNXBMFYSA-N 1 0 317.389 1.938 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)CN2CCC[C@H]3C[NH2+]CC[C@@H]32)c1 ZINC000923413767 714348188 /nfs/dbraw/zinc/34/81/88/714348188.db2.gz GZUSNTRYHHAZFG-CWRNSKLLSA-N 1 0 305.378 1.702 20 5 DDBDRO C[C@@H]1C[NH2+][C@@H](C)[C@H](C)N1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000923446687 714358502 /nfs/dbraw/zinc/35/85/02/714358502.db2.gz YPFLZLKZKLSWJU-AGIUHOORSA-N 1 0 320.393 1.994 20 5 DDBDRO O=C(CN1CC[C@]2(C1)CCCC[NH2+]2)Nc1ccccc1[N+](=O)[O-] ZINC000923537014 714393595 /nfs/dbraw/zinc/39/35/95/714393595.db2.gz RBJMWACUOOEWJE-INIZCTEOSA-N 1 0 318.377 1.751 20 5 DDBDRO Cn1cc(CN2C[C@H](CC[NH3+])Cc3ccccc32)c([N+](=O)[O-])n1 ZINC000923545367 714396133 /nfs/dbraw/zinc/39/61/33/714396133.db2.gz NMGGOPPJURTXEK-GFCCVEGCSA-N 1 0 315.377 1.856 20 5 DDBDRO C[C@]12C[N@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C[C@H]1[C@H]1CC[C@@H]2C1 ZINC000933709697 714653143 /nfs/dbraw/zinc/65/31/43/714653143.db2.gz UMDLCUOOHJWRKQ-QVKMIARZSA-N 1 0 320.393 1.520 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@@H]1C[C@H](O)C[N@H+]1C ZINC000924990280 714718284 /nfs/dbraw/zinc/71/82/84/714718284.db2.gz UYVVSLXYMFQWSO-STQMWFEESA-N 1 0 321.377 1.315 20 5 DDBDRO COCC(=O)N1CCC(C)([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000939892569 716481990 /nfs/dbraw/zinc/48/19/90/716481990.db2.gz WMZPRBWZIGUNFD-UHFFFAOYSA-N 1 0 321.377 1.712 20 5 DDBDRO CC(=O)N1CC[C@H]2C[N@H+](Cc3c([N+](=O)[O-])ncn3C)C[C@H]2CC1 ZINC000946418912 718775205 /nfs/dbraw/zinc/77/52/05/718775205.db2.gz KCSWGGRFIDKSKV-BETUJISGSA-N 1 0 321.381 1.019 20 5 DDBDRO Cc1cc(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)cnn1 ZINC001126250281 738769282 /nfs/dbraw/zinc/76/92/82/738769282.db2.gz HJYHCGYGNFPNMC-UHFFFAOYSA-N 1 0 315.333 1.213 20 5 DDBDRO COc1cc(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)on1 ZINC001126033658 738148210 /nfs/dbraw/zinc/14/82/10/738148210.db2.gz SFKGZCAIUYHJHO-UHFFFAOYSA-N 1 0 320.305 1.111 20 5 DDBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc(C=C2CC[NH2+]CC2)n1 ZINC001211845323 740245124 /nfs/dbraw/zinc/24/51/24/740245124.db2.gz MHGUQHAYNWOVCN-UHFFFAOYSA-N 1 0 305.269 1.946 20 5 DDBDRO CC[N@H+](C)CCC(=O)N(C)CCN(C)c1ccc([N+](=O)[O-])cn1 ZINC001105459963 741849081 /nfs/dbraw/zinc/84/90/81/741849081.db2.gz NBEQBVXAYDYPMU-UHFFFAOYSA-N 1 0 323.397 1.226 20 5 DDBDRO CN(c1cc([N+](=O)[O-])cc(Br)[n+]1[O-])C(C)(C)C[NH3+] ZINC001170058771 764451855 /nfs/dbraw/zinc/45/18/55/764451855.db2.gz FPCUCKWSJKBHPA-UHFFFAOYSA-N 1 0 319.159 1.164 20 5 DDBDRO O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1cnsn1 ZINC001124155395 747673981 /nfs/dbraw/zinc/67/39/81/747673981.db2.gz ZUMOSUZXBCKOPD-UHFFFAOYSA-N 1 0 313.364 1.027 20 5 DDBDRO CS(=O)(=O)c1ccc(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)nc1 ZINC001168961702 762156040 /nfs/dbraw/zinc/15/60/40/762156040.db2.gz JQQRRPAQNWPVKJ-MNOVXSKESA-N 1 0 313.379 1.020 20 5 DDBDRO C[C@@H](C[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)NC(=O)OC(C)(C)C ZINC001168963200 762157656 /nfs/dbraw/zinc/15/76/56/762157656.db2.gz OQFYANNPBRZBQK-TUAOUCFPSA-N 1 0 301.387 1.935 20 5 DDBDRO O=C(c1ccccn1)N1CC[C@@H]([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168995779 762168572 /nfs/dbraw/zinc/16/85/72/762168572.db2.gz SVTLTVUOCNTVNS-MELADBBJSA-N 1 0 318.377 1.331 20 5 DDBDRO O=C(c1ccccn1)N1CC[C@@H]([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168995782 762168954 /nfs/dbraw/zinc/16/89/54/762168954.db2.gz SVTLTVUOCNTVNS-MGPQQGTHSA-N 1 0 318.377 1.331 20 5 DDBDRO Cc1cnc(C[NH3+])n1-c1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC001169029176 762185405 /nfs/dbraw/zinc/18/54/05/762185405.db2.gz MUGWJRLLTKOUHN-UHFFFAOYSA-N 1 0 301.228 1.961 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCCN(c3ncccn3)CC2)C1 ZINC001169036293 762191766 /nfs/dbraw/zinc/19/17/66/762191766.db2.gz NGALCJUFXDFBQD-ZIAGYGMSSA-N 1 0 305.382 1.434 20 5 DDBDRO O=C(c1cccnc1)N1CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169036169 762191803 /nfs/dbraw/zinc/19/18/03/762191803.db2.gz FNLISIKGOOBCLJ-UKRRQHHQSA-N 1 0 318.377 1.285 20 5 DDBDRO CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001097190268 756977813 /nfs/dbraw/zinc/97/78/13/756977813.db2.gz NEMHZIQMNPQIOV-OKILXGFUSA-N 1 0 320.393 1.994 20 5 DDBDRO CN(c1nc(C(F)(F)F)nc(Cl)c1[N+](=O)[O-])C1C[NH2+]C1 ZINC001166983535 757834854 /nfs/dbraw/zinc/83/48/54/757834854.db2.gz YHUDTQKWJPEUDQ-UHFFFAOYSA-N 1 0 311.651 1.465 20 5 DDBDRO C[C@@H]1C[NH2+]CCC[C@H]1CNc1cc([N+](=O)[O-])cc(Cl)[n+]1[O-] ZINC001155029638 760313902 /nfs/dbraw/zinc/31/39/02/760313902.db2.gz HBLMYMHWGZGJHB-ZJUUUORDSA-N 1 0 314.773 1.929 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@H](NC(=O)C=C2CCC2)C1 ZINC001020063447 760507730 /nfs/dbraw/zinc/50/77/30/760507730.db2.gz MXWUPOGYGRNCJE-HAQNSBGRSA-N 1 0 319.365 1.175 20 5 DDBDRO [NH3+]CCN(CCO)c1ccc2c(ccc(Cl)c2[N+](=O)[O-])n1 ZINC001155953278 761728804 /nfs/dbraw/zinc/72/88/04/761728804.db2.gz TXVVANHDIDYLCM-UHFFFAOYSA-N 1 0 310.741 1.554 20 5 DDBDRO CN(CCCNc1ccc([N+](=O)[O-])cc1)C(=O)CC[NH+](C)C ZINC001109616840 763882324 /nfs/dbraw/zinc/88/23/24/763882324.db2.gz PTSFAJCENURDBY-UHFFFAOYSA-N 1 0 308.382 1.807 20 5 DDBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccsn1 ZINC001130095243 767255172 /nfs/dbraw/zinc/25/51/72/767255172.db2.gz CLZGJNDSIRVYLI-UHFFFAOYSA-N 1 0 306.347 1.571 20 5 DDBDRO CC(C)(C)CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@H]2C1 ZINC001048814299 769933608 /nfs/dbraw/zinc/93/36/08/769933608.db2.gz DBWTUBXISVNDDC-XJFOESAGSA-N 1 0 309.410 1.478 20 5 DDBDRO Cc1cc(Cl)nc(NCCOCCOCC[NH3+])c1[N+](=O)[O-] ZINC001159445093 771417489 /nfs/dbraw/zinc/41/74/89/771417489.db2.gz VIETYKKUWWOBEN-UHFFFAOYSA-N 1 0 318.761 1.355 20 5 DDBDRO CC[N@H+](C)CCC(=O)N[C@H]1C[C@H](Nc2ccccc2[N+](=O)[O-])C1 ZINC001097057229 771610922 /nfs/dbraw/zinc/61/09/22/771610922.db2.gz SSEQIWGTNMEXOK-JOCQHMNTSA-N 1 0 320.393 1.996 20 5 DDBDRO [NH3+]Cc1ccc2cn(-c3ncnc(Cl)c3[N+](=O)[O-])nc2c1 ZINC001171315293 773251426 /nfs/dbraw/zinc/25/14/26/773251426.db2.gz ORDMSGPYAMKRKF-UHFFFAOYSA-N 1 0 304.697 1.836 20 5 DDBDRO CCc1cc(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)no1 ZINC001148321833 773435497 /nfs/dbraw/zinc/43/54/97/773435497.db2.gz LGBVZPVJRSQGPA-UHFFFAOYSA-N 1 0 318.333 1.665 20 5 DDBDRO O=C(CCC[NH+]1CCCC1)NCCNc1ccccc1[N+](=O)[O-] ZINC001093671540 774986330 /nfs/dbraw/zinc/98/63/30/774986330.db2.gz YTIWBEDOEBQYKP-UHFFFAOYSA-N 1 0 320.393 1.999 20 5 DDBDRO Cc1cc(NCCNC(=O)C[N@@H+](C)C2CCC2)ncc1[N+](=O)[O-] ZINC001094221929 775543875 /nfs/dbraw/zinc/54/38/75/775543875.db2.gz VMRSBYKLHSLDLH-UHFFFAOYSA-N 1 0 321.381 1.311 20 5 DDBDRO CC(=O)Nc1ccc(Nc2nccnc2C[NH3+])cc1[N+](=O)[O-] ZINC001171449587 776107093 /nfs/dbraw/zinc/10/70/93/776107093.db2.gz OGGDVVLXAKJEEI-UHFFFAOYSA-N 1 0 302.294 1.546 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@H]([C@H]2CCCO2)C2(CO)CCC2)n1 ZINC001171582482 776352801 /nfs/dbraw/zinc/35/28/01/776352801.db2.gz ISARQAMOKBQFLZ-TZMCWYRMSA-N 1 0 324.381 1.091 20 5 DDBDRO CC(C)(C[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1)C(N)=O ZINC001172898091 776913759 /nfs/dbraw/zinc/91/37/59/776913759.db2.gz GJUMRZAVWNKARE-ZDUSSCGKSA-N 1 0 305.378 1.943 20 5 DDBDRO O=C1CC[C@H]([NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CN1 ZINC001172899211 776914175 /nfs/dbraw/zinc/91/41/75/776914175.db2.gz MGNBPZCXQPSCGU-KBPBESRZSA-N 1 0 303.362 1.710 20 5 DDBDRO O=C1CC[C@@H](C[NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CN1 ZINC001172899941 776915112 /nfs/dbraw/zinc/91/51/12/776915112.db2.gz FHXBSCAFAONFDN-WFASDCNBSA-N 1 0 317.389 1.958 20 5 DDBDRO CCC(CO)(CO)[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172902499 776915812 /nfs/dbraw/zinc/91/58/12/776915812.db2.gz YVEFWEHPXMWVNF-CQSZACIVSA-N 1 0 308.378 1.565 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@H+]1CC[C@@H](O)[C@@H](CO)C1)CC2 ZINC001172903299 776916123 /nfs/dbraw/zinc/91/61/23/776916123.db2.gz GNVMATFAQXNDJV-BFYDXBDKSA-N 1 0 320.389 1.517 20 5 DDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCN1CCC(O)CC1 ZINC001173234376 777065054 /nfs/dbraw/zinc/06/50/54/777065054.db2.gz OLOOIDUGBBJDKR-CYBMUJFWSA-N 1 0 307.394 1.572 20 5 DDBDRO Cc1cnc(NCCN(C)C(=O)C[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC001101633346 777328949 /nfs/dbraw/zinc/32/89/49/777328949.db2.gz MKMQYAZAZCYWDQ-UHFFFAOYSA-N 1 0 321.381 1.264 20 5 DDBDRO CCC[N@H+](C)CC(=O)N(C)CCNc1nc(C)ccc1[N+](=O)[O-] ZINC001101705793 777416168 /nfs/dbraw/zinc/41/61/68/777416168.db2.gz XPUYROSBRXSMJK-UHFFFAOYSA-N 1 0 323.397 1.510 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCCCCCNC(=O)C1CC1 ZINC001177717080 778712158 /nfs/dbraw/zinc/71/21/58/778712158.db2.gz SPUPRXAOKCNONR-UHFFFAOYSA-N 1 0 323.397 1.505 20 5 DDBDRO CN(CCC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)c1cn[nH]c1 ZINC001268782024 840789873 /nfs/dbraw/zinc/78/98/73/840789873.db2.gz NWSOTORVEDJIAM-UHFFFAOYSA-N 1 0 317.349 1.570 20 5 DDBDRO CC(=O)CCCC(=O)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001154575590 861233236 /nfs/dbraw/zinc/23/32/36/861233236.db2.gz OSJJIDWWSSBTIT-UHFFFAOYSA-N 1 0 321.377 1.950 20 5 DDBDRO C[C@@H](CN1CC[NH2+]CC1)Nc1ccc2[nH]cc([N+](=O)[O-])c2n1 ZINC001154751770 861423516 /nfs/dbraw/zinc/42/35/16/861423516.db2.gz JIIWULUDTZGHNG-JTQLQIEISA-N 1 0 304.354 1.177 20 5 DDBDRO CN(C)/C=C/c1cc(NC[C@@H]2C[C@H](F)C[NH2+]2)ncc1[N+](=O)[O-] ZINC001155037858 861667670 /nfs/dbraw/zinc/66/76/70/861667670.db2.gz CQDWPMBYCFQKCC-QSKOYVBTSA-N 1 0 309.345 1.634 20 5 DDBDRO COC(=O)[C@@H](Nc1nc(Cl)cc(C)c1[N+](=O)[O-])C(C)(C)[NH3+] ZINC001155369424 862003020 /nfs/dbraw/zinc/00/30/20/862003020.db2.gz VQYKHBTYFCIWHA-SECBINFHSA-N 1 0 316.745 1.642 20 5 DDBDRO CCN(CC[NH2+]Cc1csc(C)c1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001273373541 849729176 /nfs/dbraw/zinc/72/91/76/849729176.db2.gz CLVMCFVMTGSWPN-CHWSQXEVSA-N 1 0 311.407 1.660 20 5 DDBDRO Cc1cnc(NC[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)c([N+](=O)[O-])c1 ZINC001155592467 862266910 /nfs/dbraw/zinc/26/69/10/862266910.db2.gz PKNFIXBWEDHKJO-DOMZBBRYSA-N 1 0 306.366 1.869 20 5 DDBDRO O=[N+]([O-])c1c(Cl)ccnc1N[C@H]1CCO[C@@]2(CC[NH2+]C2)C1 ZINC001155616830 862293662 /nfs/dbraw/zinc/29/36/62/862293662.db2.gz GDNMKROVPPNUDS-ZANVPECISA-N 1 0 312.757 1.966 20 5 DDBDRO O=[N+]([O-])c1cnc(N[C@H]2C[NH2+][C@@H]3CCO[C@@H]32)c2ccccc21 ZINC001155637252 862323301 /nfs/dbraw/zinc/32/33/01/862323301.db2.gz RYDJHDQSQKPPJO-DYEKYZERSA-N 1 0 300.318 1.684 20 5 DDBDRO Cc1nc(N(C)CCCNC(=O)CC[NH+](C)C)ccc1[N+](=O)[O-] ZINC001095732015 855177734 /nfs/dbraw/zinc/17/77/34/855177734.db2.gz HQSCFHDDXKZJQZ-UHFFFAOYSA-N 1 0 323.397 1.192 20 5 DDBDRO CCOc1nc(N2C[C@H]3C[C@@]3(C[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC001156393900 863005379 /nfs/dbraw/zinc/00/53/79/863005379.db2.gz APLLZFZCIAEUOJ-IAQYHMDHSA-N 1 0 306.366 1.776 20 5 DDBDRO O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1cccnc1 ZINC001122634265 858922346 /nfs/dbraw/zinc/92/23/46/858922346.db2.gz VJHRIKGXBQWBJK-UHFFFAOYSA-N 1 0 306.347 1.571 20 5 DDBDRO CCc1cc(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)[nH]n1 ZINC001123857210 859443386 /nfs/dbraw/zinc/44/33/86/859443386.db2.gz PELVLICEJQKNFM-UHFFFAOYSA-N 1 0 317.349 1.400 20 5 DDBDRO C[NH+](C)[C@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])C1CCCCC1 ZINC001141406192 860844020 /nfs/dbraw/zinc/84/40/20/860844020.db2.gz NYZTXIZZWKLUIS-LLVKDONJSA-N 1 0 309.370 1.558 20 5 DDBDRO O=c1onc(-c2ccc([N+](=O)[O-])cc2)n1C[C@H]1CCC[NH2+]C1 ZINC001326017510 861043198 /nfs/dbraw/zinc/04/31/98/861043198.db2.gz CMFREJDIQFZEKW-JTQLQIEISA-N 1 0 304.306 1.411 20 5 DDBDRO Cn1cc(C(=O)NCCC[NH2+]Cc2ccccc2[N+](=O)[O-])cn1 ZINC001154510375 861159406 /nfs/dbraw/zinc/15/94/06/861159406.db2.gz SSAVMKMLMITVEG-UHFFFAOYSA-N 1 0 317.349 1.238 20 5 DDBDRO [NH3+][C@]12CCC[C@@H]1CN(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C2 ZINC001328588085 863089459 /nfs/dbraw/zinc/08/94/59/863089459.db2.gz FBSLXRDKTBLHFL-YGRLFVJLSA-N 1 0 320.305 1.456 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@@](O)(C3CC3)C2)c1 ZINC001329584582 863738760 /nfs/dbraw/zinc/73/87/60/863738760.db2.gz VKKATKDRCDDAAW-INIZCTEOSA-N 1 0 320.345 1.728 20 5 DDBDRO Cc1ncn(-c2nc(C)ncc2[N+](=O)[O-])c1CSCC[NH3+] ZINC001157962039 864309715 /nfs/dbraw/zinc/30/97/15/864309715.db2.gz SQCAHUJELNIBTA-UHFFFAOYSA-N 1 0 308.367 1.379 20 5 DDBDRO C[C@@H]1CN(c2cc(/C=C/N(C)C)c([N+](=O)[O-])cn2)C[C@@H](C)[NH2+]1 ZINC001158176414 864470754 /nfs/dbraw/zinc/47/07/54/864470754.db2.gz DPUACEPMXUUJOX-IEVRTODYSA-N 1 0 305.382 1.709 20 5 DDBDRO C[C@@H]1CN(c2nc(Cl)nc(Cl)c2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC001158175946 864471103 /nfs/dbraw/zinc/47/11/03/864471103.db2.gz IXVMWWXBQYAQLZ-OLQVQODUSA-N 1 0 306.153 1.878 20 5 DDBDRO CCN(c1nc(NC(C)=O)nc(C)c1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC001158207433 864489884 /nfs/dbraw/zinc/48/98/84/864489884.db2.gz LBUFTDLVPLBHQP-NSHDSACASA-N 1 0 322.369 1.230 20 5 DDBDRO COc1nc(N2CCO[C@H](C[NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC001158304995 864559148 /nfs/dbraw/zinc/55/91/48/864559148.db2.gz POVCMTGWUYNFKV-GFCCVEGCSA-N 1 0 322.365 1.299 20 5 DDBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1-n1ccc([C@@H](C)[NH3+])n1 ZINC001158350737 864596495 /nfs/dbraw/zinc/59/64/95/864596495.db2.gz OBABUBWYLLFSPW-MRVPVSSYSA-N 1 0 305.294 1.372 20 5 DDBDRO Cc1ccnc(CCNc2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)c1 ZINC001158437230 864656665 /nfs/dbraw/zinc/65/66/65/864656665.db2.gz RIPJFYIBFYPHLN-UHFFFAOYSA-N 1 0 314.349 1.430 20 5 DDBDRO O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1NCC[NH+]1CC=CC1 ZINC001331257584 864971072 /nfs/dbraw/zinc/97/10/72/864971072.db2.gz NCZLCHJJPTVSLM-UHFFFAOYSA-N 1 0 316.361 1.771 20 5 DDBDRO Cc1cc(C(=O)NCC[N@@H+]2CCC(C)(C)C2)c(N)c([N+](=O)[O-])c1 ZINC001159011087 865039976 /nfs/dbraw/zinc/03/99/76/865039976.db2.gz DCJSZMKFUPJFJF-UHFFFAOYSA-N 1 0 320.393 1.947 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(NCCOCCOCC[NH3+])nc1Cl ZINC001159445413 865300160 /nfs/dbraw/zinc/30/01/60/865300160.db2.gz ZQCKDNDATPEVHC-UHFFFAOYSA-N 1 0 318.761 1.355 20 5 DDBDRO O=[N+]([O-])c1cc(N[C@@H]2C[NH2+]C[C@@H]2CO)c2ncnc(Cl)c2c1 ZINC001159681292 865468354 /nfs/dbraw/zinc/46/83/54/865468354.db2.gz CAEMOBJTGVLJKY-RDDDGLTNSA-N 1 0 323.740 1.184 20 5 DDBDRO CCOC(=O)c1nc(Cl)nc(NCC[C@@H](C)[NH3+])c1[N+](=O)[O-] ZINC001159774838 865516129 /nfs/dbraw/zinc/51/61/29/865516129.db2.gz VCADBZQVHZNMRY-ZCFIWIBFSA-N 1 0 317.733 1.364 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])c(N[C@]2(C[NH3+])CN3CCC2CC3)n1 ZINC001160512886 865898411 /nfs/dbraw/zinc/89/84/11/865898411.db2.gz FKYLUVBLXOAYDM-OAHLLOKOSA-N 1 0 305.382 1.442 20 5 DDBDRO O=[N+]([O-])c1c(N2CCC[N@@H+]3CCC[C@H]3C2)nc2ccccn21 ZINC001320811417 867048308 /nfs/dbraw/zinc/04/83/08/867048308.db2.gz XCBMDTJRDQPOAG-LBPRGKRZSA-N 1 0 301.350 1.917 20 5 DDBDRO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])n[nH]3)C[C@H]2C1 ZINC001333929370 867164746 /nfs/dbraw/zinc/16/47/46/867164746.db2.gz PVQYAGSAODEEBC-GMTAPVOTSA-N 1 0 307.354 1.120 20 5 DDBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N[C@]2(C)CCC[N@@H+](C)C2)n1 ZINC001162339567 867471844 /nfs/dbraw/zinc/47/18/44/867471844.db2.gz LYYOFRQKBGDFTQ-CQSZACIVSA-N 1 0 322.369 1.548 20 5 DDBDRO CCOC(=O)c1cnc(NC[C@H]2C[NH2+][C@H](C)C2)c([N+](=O)[O-])c1 ZINC001162554795 867637776 /nfs/dbraw/zinc/63/77/76/867637776.db2.gz HULCVBIKDHRTJO-NXEZZACHSA-N 1 0 308.338 1.576 20 5 DDBDRO Cc1cccc(NCc2nnc3n2CCC[NH2+]C3)c1[N+](=O)[O-] ZINC001163017770 868004626 /nfs/dbraw/zinc/00/46/26/868004626.db2.gz VHVWTIMHUSKUJW-UHFFFAOYSA-N 1 0 302.338 1.600 20 5 DDBDRO COc1c(F)cc(N[C@H]2COCCC23C[NH2+]C3)cc1[N+](=O)[O-] ZINC001163071989 868054086 /nfs/dbraw/zinc/05/40/86/868054086.db2.gz GWDROQZMAWTLKF-LBPRGKRZSA-N 1 0 311.313 1.533 20 5 DDBDRO O=[N+]([O-])c1ccc(N[C@@H]2COCCC23C[NH2+]C3)c2ccncc21 ZINC001163074628 868059474 /nfs/dbraw/zinc/05/94/74/868059474.db2.gz XEPINVWAGQLYLM-OAHLLOKOSA-N 1 0 314.345 1.933 20 5 DDBDRO O=[N+]([O-])c1cccc2c(N[C@@H]3COCCC34C[NH2+]C4)ccnc21 ZINC001163078688 868061046 /nfs/dbraw/zinc/06/10/46/868061046.db2.gz DHVUNWKMWIENSG-CQSZACIVSA-N 1 0 314.345 1.933 20 5 DDBDRO O=[N+]([O-])c1cnc2cccc(NCC[C@H]3CCOC34C[NH2+]C4)n21 ZINC001163096050 868090492 /nfs/dbraw/zinc/09/04/92/868090492.db2.gz PFYWPCOSJHRVKV-NSHDSACASA-N 1 0 317.349 1.423 20 5 DDBDRO COC(=O)CC(C)(C)[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001335183513 868117057 /nfs/dbraw/zinc/11/70/57/868117057.db2.gz VIZINMBIVDWPGV-ZDUSSCGKSA-N 1 0 310.350 1.902 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc(-c2csnn2)cc1 ZINC001226009794 882158940 /nfs/dbraw/zinc/15/89/40/882158940.db2.gz CBGCUZVPENKCLH-GFCCVEGCSA-N 1 0 322.410 1.568 20 5 DDBDRO O=[N+]([O-])c1c2nsnc2ccc1NC[C@@]12C[NH2+][C@@H](CO1)C2 ZINC001163203476 868211849 /nfs/dbraw/zinc/21/18/49/868211849.db2.gz WLOHWQHDFZNFRM-JMCQJSRRSA-N 1 0 307.335 1.142 20 5 DDBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H](O)CC2(CO)CCCC2)cc1 ZINC001335316903 868221527 /nfs/dbraw/zinc/22/15/27/868221527.db2.gz FSXBSPLAGNHJJD-HNNXBMFYSA-N 1 0 308.378 1.988 20 5 DDBDRO C[C@@H](NC(=O)N[C@H]1C[NH2+]CC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC001335677084 868474089 /nfs/dbraw/zinc/47/40/89/868474089.db2.gz HOINOKLADVFEFF-MFKMUULPSA-N 1 0 306.366 1.953 20 5 DDBDRO C[C@@H]1CCC[C@@H](C)N1c1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001163540496 868519326 /nfs/dbraw/zinc/51/93/26/868519326.db2.gz LPEXIVIRFWKJIF-VXGBXAGGSA-N 1 0 320.397 1.562 20 5 DDBDRO COCC[NH+](CCOC)C1CN(c2ccccc2[N+](=O)[O-])C1 ZINC001336678366 869089491 /nfs/dbraw/zinc/08/94/91/869089491.db2.gz DSTCVMOUXOBCLM-UHFFFAOYSA-N 1 0 309.366 1.378 20 5 DDBDRO C[C@@](O)(C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC001336699026 869098869 /nfs/dbraw/zinc/09/88/69/869098869.db2.gz JATJWZZRZYIOIN-WDEREUQCSA-N 1 0 308.256 1.531 20 5 DDBDRO CCOc1nc(N2C[C@@H](CF)[C@H](C3([NH3+])CC3)C2)ccc1[N+](=O)[O-] ZINC001165435384 869599118 /nfs/dbraw/zinc/59/91/18/869599118.db2.gz VEUORQGFJPSLOX-GHMZBOCLSA-N 1 0 324.356 1.902 20 5 DDBDRO CCOC(=O)c1ccc(-n2ccnc2CC[NH3+])c([N+](=O)[O-])c1 ZINC001166369348 869970857 /nfs/dbraw/zinc/97/08/57/869970857.db2.gz AUSVRSYZHNDTFD-UHFFFAOYSA-N 1 0 304.306 1.458 20 5 DDBDRO C[C@@H]1C[NH2+]C[C@H]1NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC001338672999 870109278 /nfs/dbraw/zinc/10/92/78/870109278.db2.gz HUFMWFSFMCPUOG-BXUZGUMPSA-N 1 0 306.366 1.387 20 5 DDBDRO N=c1sc2c(n1-c1nc(Cl)ncc1[N+](=O)[O-])CC[NH2+]C2 ZINC001166859426 870321292 /nfs/dbraw/zinc/32/12/92/870321292.db2.gz FOBGETJMWGTWRT-UHFFFAOYSA-N 1 0 312.742 1.016 20 5 DDBDRO [NH3+][C@@H]1CCN(c2cnc3ccc([N+](=O)[O-])cc3n2)CC1(F)F ZINC001166960323 870422202 /nfs/dbraw/zinc/42/22/02/870422202.db2.gz OPZPKNJQSOCMDH-LLVKDONJSA-N 1 0 309.276 1.711 20 5 DDBDRO COC(=O)c1cc(O[C@H]2CC[N@H+](C)C2)c(OC)cc1[N+](=O)[O-] ZINC001226440880 882434348 /nfs/dbraw/zinc/43/43/48/882434348.db2.gz GWJHZQVYZHMNMD-VIFPVBQESA-N 1 0 310.306 1.473 20 5 DDBDRO CCCN(C(=O)c1cnc(N)c([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C)C1 ZINC001299832726 870942937 /nfs/dbraw/zinc/94/29/37/870942937.db2.gz FHJAFKCAYZTHGM-LLVKDONJSA-N 1 0 307.354 1.128 20 5 DDBDRO CC(C)(C(=O)N[C@H]1COC2(C[NH2+]C2)C1)c1ccc([N+](=O)[O-])cc1 ZINC001340617449 871237082 /nfs/dbraw/zinc/23/70/82/871237082.db2.gz XQAAHNSCXNVKOW-GFCCVEGCSA-N 1 0 319.361 1.120 20 5 DDBDRO C[C@@H]([NH3+])CONC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC001341968003 871923560 /nfs/dbraw/zinc/92/35/60/871923560.db2.gz QWSDKGCBRUEUNH-ZCFIWIBFSA-N 1 0 318.127 1.366 20 5 DDBDRO [NH3+][C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)CC[C@H]1C(F)(F)F ZINC001342564711 872267750 /nfs/dbraw/zinc/26/77/50/872267750.db2.gz HRAVUCXQEGCCKW-MNOVXSKESA-N 1 0 317.267 1.947 20 5 DDBDRO CC(=O)O[C@@H]1C[C@@H]2C[C@H](Oc3ccc([N+](=O)[O-])nc3)C[C@H]1[N@@H+]2C ZINC001226712420 882602176 /nfs/dbraw/zinc/60/21/76/882602176.db2.gz MLJMUDCBYIWFLM-SCUASFONSA-N 1 0 321.333 1.535 20 5 DDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@@H]3CCOC34CCOCC4)C2)c1 ZINC001343332610 872584104 /nfs/dbraw/zinc/58/41/04/872584104.db2.gz FPAXHKZWBYUIFT-ORHYLEIMSA-N 1 0 322.365 1.423 20 5 DDBDRO O=C(CCn1cc([N+](=O)[O-])cn1)N1CCCC[C@]12CCC[NH2+]C2 ZINC001343778421 872755824 /nfs/dbraw/zinc/75/58/24/872755824.db2.gz ZFARQTGPSWBQRG-OAHLLOKOSA-N 1 0 321.381 1.316 20 5 DDBDRO O=C(N[C@@H]1COC2(C[NH2+]C2)C1)c1c(Cl)cccc1[N+](=O)[O-] ZINC001344000631 872831211 /nfs/dbraw/zinc/83/12/11/872831211.db2.gz UDRXDYJUBYQEFO-QMMMGPOBSA-N 1 0 311.725 1.109 20 5 DDBDRO O=C(NC1(C2CC[NH2+]CC2)CC1)c1cc(F)ccc1[N+](=O)[O-] ZINC001345465213 873413301 /nfs/dbraw/zinc/41/33/01/873413301.db2.gz FRCSPLONVVCHBK-UHFFFAOYSA-N 1 0 307.325 1.996 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@](O)(C[NH+](C)C)C2)c1 ZINC001347430581 874137802 /nfs/dbraw/zinc/13/78/02/874137802.db2.gz YYCTZIVUBISXDS-OAHLLOKOSA-N 1 0 307.350 1.042 20 5 DDBDRO C[N@@H+]1C[C@@H]2CC[C@@H](Nc3cc(F)c([N+](=O)[O-])cc3CO)[C@H]2C1 ZINC001348566013 874636250 /nfs/dbraw/zinc/63/62/50/874636250.db2.gz UGPXSQJVIQVLJA-XHVZSJERSA-N 1 0 309.341 1.978 20 5 DDBDRO Cn1c(C(=O)N2CCCC[C@]3(CC[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC001349917785 875453004 /nfs/dbraw/zinc/45/30/04/875453004.db2.gz YFIORRAZICEYMM-OAHLLOKOSA-N 1 0 306.366 1.539 20 5 DDBDRO CCC/C=C/CC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001227257415 882936744 /nfs/dbraw/zinc/93/67/44/882936744.db2.gz ADEGRQLELPQJBU-DPOFCPOHSA-N 1 0 309.410 1.979 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H](OC[C@@H]1C[C@@H]3CC[NH2+]C[C@@H]3O1)C2 ZINC001217788168 877323365 /nfs/dbraw/zinc/32/33/65/877323365.db2.gz GZLJKVMEHCDJPM-IEAZIUSSSA-N 1 0 318.373 1.846 20 5 DDBDRO COC[C@@H]1C[NH2+]CCN1C(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001353448657 877339499 /nfs/dbraw/zinc/33/94/99/877339499.db2.gz NVUIGYFUAOSODT-RYUDHWBXSA-N 1 0 322.365 1.286 20 5 DDBDRO O=C(Nc1cc2cccnc2c2ncccc12)[C@@H]1C[NH2+]C[C@H]1O ZINC001218979915 877849237 /nfs/dbraw/zinc/84/92/37/877849237.db2.gz LBQVBJQJHMQSRB-TZMCWYRMSA-N 1 0 308.341 1.302 20 5 DDBDRO Nc1ccc2n(C(=O)CNCCC[NH3+])c3ccccc3cc-2c1=O ZINC001219255659 878062748 /nfs/dbraw/zinc/06/27/48/878062748.db2.gz JMARILRGEDBQNN-UHFFFAOYSA-N 1 0 324.384 1.267 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1C ZINC001355086784 878416606 /nfs/dbraw/zinc/41/66/06/878416606.db2.gz VBYPFIJDIHWRLV-QWHCGFSZSA-N 1 0 303.362 1.893 20 5 DDBDRO COc1cccc(C(=O)N[C@@H]2CC[C@H]3C[N@H+](C)C[C@@H]32)c1[N+](=O)[O-] ZINC001355171691 878454061 /nfs/dbraw/zinc/45/40/61/878454061.db2.gz PIISSVFQHQWITE-WCFLWFBJSA-N 1 0 319.361 1.673 20 5 DDBDRO CN(C(=O)CCc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001356370346 879016580 /nfs/dbraw/zinc/01/65/80/879016580.db2.gz NDDAHLPAZQJVDM-JYAVWHMHSA-N 1 0 323.780 1.857 20 5 DDBDRO CN(C(=O)CCc1cc(F)ccc1[N+](=O)[O-])[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001356370125 879017647 /nfs/dbraw/zinc/01/76/47/879017647.db2.gz MSKYLXPXWMWDDF-JYAVWHMHSA-N 1 0 307.325 1.343 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC001358063211 880312284 /nfs/dbraw/zinc/31/22/84/880312284.db2.gz TZWBKBXLMDFNFQ-OAHLLOKOSA-N 1 0 321.381 1.092 20 5 DDBDRO COC(=O)[C@H](O[C@@H](C)C[N+](C)(C)C)c1ccccc1[N+](=O)[O-] ZINC001223649687 881042372 /nfs/dbraw/zinc/04/23/72/881042372.db2.gz UTMWFVCOFRBBMX-SMDDNHRTSA-N 1 0 311.358 1.920 20 5 DDBDRO C[C@@H](C[N+](C)(C)C)OCc1cccc(NS(C)(=O)=O)c1 ZINC001224056212 881199125 /nfs/dbraw/zinc/19/91/25/881199125.db2.gz WTVAGTUASMVYPF-LBPRGKRZSA-N 1 0 301.432 1.669 20 5 DDBDRO COc1ccc(C(C)=O)c(OC(=O)C[C@@H](O)C[N+](C)(C)C)c1 ZINC001227733001 883150035 /nfs/dbraw/zinc/15/00/35/883150035.db2.gz AGIPKCGNUGSTFO-GFCCVEGCSA-N 1 0 310.370 1.260 20 5 DDBDRO Cc1cccc2c(OC(=O)C[C@@H](O)C[N+](C)(C)C)cc(=O)[nH]c12 ZINC001227917563 883230375 /nfs/dbraw/zinc/23/03/75/883230375.db2.gz AMNWSVAVMNYMIL-GFCCVEGCSA-O 1 0 319.381 1.611 20 5 DDBDRO CC(=O)O[C@H]1C[C@@H]2C[C@H](Oc3cnccc3[N+](=O)[O-])C[C@H]1[N@@H+]2C ZINC001228882865 883712473 /nfs/dbraw/zinc/71/24/73/883712473.db2.gz QYKDPVXUGPEZAB-VTPLQMEGSA-N 1 0 321.333 1.535 20 5 DDBDRO C[C@@H](C[N+](C)(C)C)Oc1n[nH]c(=O)c2ccc([N+](=O)[O-])cc21 ZINC001229364342 883944595 /nfs/dbraw/zinc/94/45/95/883944595.db2.gz JFKVHEZVNCXDRA-VIFPVBQESA-O 1 0 307.330 1.717 20 5 DDBDRO CO[C@@H]1CC[N@H+](CCOc2ncnc3cc([N+](=O)[O-])ccc32)C1 ZINC001229403438 883961491 /nfs/dbraw/zinc/96/14/91/883961491.db2.gz QPTJOYFUHIXLHI-GFCCVEGCSA-N 1 0 318.333 1.638 20 5 DDBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1nc3c[nH]cc([N+](=O)[O-])c-3n1)C2 ZINC001230230567 884381257 /nfs/dbraw/zinc/38/12/57/884381257.db2.gz VBKPKOKFMYOMCF-ILWJIGKKSA-N 1 0 303.322 1.870 20 5 DDBDRO C[C@@H](C[N+](C)(C)C)Oc1nc(=O)[nH]cc1[C@@H]1CCCC(=O)C1 ZINC001231380617 885581808 /nfs/dbraw/zinc/58/18/08/885581808.db2.gz NDQUNVQDKGPASA-NWDGAFQWSA-O 1 0 308.402 1.882 20 5 DDBDRO CCOCCC(=O)NCCC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001235581943 888771729 /nfs/dbraw/zinc/77/17/29/888771729.db2.gz FFAZLPZNUVRKJY-UHFFFAOYSA-N 1 0 323.393 1.960 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]C(CCO)CCO)CC2 ZINC001246334814 892547882 /nfs/dbraw/zinc/54/78/82/892547882.db2.gz RWBLTPXIPPYVTE-AWEZNQCLSA-N 1 0 308.378 1.565 20 5 DDBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@H]2C[NH2+]C[C@H](F)C2)n1 ZINC001247781533 893368377 /nfs/dbraw/zinc/36/83/77/893368377.db2.gz JSQNLGYTRVLYKI-RNFRBKRXSA-N 1 0 311.248 1.594 20 5 DDBDRO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC001251758701 894802173 /nfs/dbraw/zinc/80/21/73/894802173.db2.gz XNPSDESIEVNQSL-LSDHHAIUSA-N 1 0 321.377 1.963 20 5 DDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001254550559 896498029 /nfs/dbraw/zinc/49/80/29/896498029.db2.gz LSQIVHBUAWKOPN-GOEBONIOSA-N 1 0 319.405 1.932 20 5 DDBDRO CN(C(=O)CC[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)C1CC1 ZINC001254566844 896506213 /nfs/dbraw/zinc/50/62/13/896506213.db2.gz KVMMQWHATOLPEA-CYBMUJFWSA-N 1 0 303.362 1.663 20 5 DDBDRO CC(=O)N1CCC(C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254574564 896508919 /nfs/dbraw/zinc/50/89/19/896508919.db2.gz IUUDPZIRUYRKOQ-MRXNPFEDSA-N 1 0 317.389 1.910 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+][C@H]1COCCC13OCCO3)C2 ZINC001254576206 896511675 /nfs/dbraw/zinc/51/16/75/896511675.db2.gz VBMAOHJQUJCVLB-ZFWWWQNUSA-N 1 0 320.345 1.184 20 5 DDBDRO NC[C@@]1([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CN2CCC1CC2 ZINC001254580889 896512827 /nfs/dbraw/zinc/51/28/27/896512827.db2.gz HTTVOUBZSLYYPJ-NVXWUHKLSA-N 1 0 316.405 1.075 20 5 DDBDRO COc1ccc(CC[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC001261836745 899782515 /nfs/dbraw/zinc/78/25/15/899782515.db2.gz KMYYVZVDSYBIMN-HNNXBMFYSA-N 1 0 317.345 1.864 20 5 DDBDRO CSC[C@](C)(O)C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001262567372 900251038 /nfs/dbraw/zinc/25/10/38/900251038.db2.gz QNOMJDMKQKPRPR-CHWSQXEVSA-N 1 0 300.380 1.332 20 5 DDBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)NC[C@H]1CCCCC[NH2+]1 ZINC001262578911 900258561 /nfs/dbraw/zinc/25/85/61/900258561.db2.gz BMGKHLUABHVAME-CQSZACIVSA-N 1 0 320.393 1.969 20 5 DDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CC[C@@H]2C[N@H+](C)C[C@H]12 ZINC001262725517 900337722 /nfs/dbraw/zinc/33/77/22/900337722.db2.gz YWPUOKDYXNPLGK-RIEGTJTDSA-N 1 0 318.377 1.707 20 5 DDBDRO COc1cc(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](C)C[C@@H]23)ccc1[N+](=O)[O-] ZINC001262826284 900387598 /nfs/dbraw/zinc/38/75/98/900387598.db2.gz GXWCKKDOLBDUGO-JHJVBQTASA-N 1 0 319.361 1.673 20 5 DDBDRO O=C(Cc1ccccc1[N+](=O)[O-])NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC001263207198 900532440 /nfs/dbraw/zinc/53/24/40/900532440.db2.gz VTZGSEYDBHSYTC-GDBMZVCRSA-N 1 0 303.362 1.786 20 5 DDBDRO CC[N@H+](C)CCC(=O)NCCN(C)c1cc(C)c([N+](=O)[O-])cn1 ZINC001263221917 900539434 /nfs/dbraw/zinc/53/94/34/900539434.db2.gz GNIXKJDAVJFFMI-UHFFFAOYSA-N 1 0 323.397 1.192 20 5 DDBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001294503421 915177955 /nfs/dbraw/zinc/17/79/55/915177955.db2.gz XBFWMEPQCJPFOI-NEPJUHHUSA-N 1 0 319.365 1.271 20 5 DDBDRO Cc1cc(N2CC[N@H+](C3CCOCC3)C[C@@H]2C)ncc1[N+](=O)[O-] ZINC000278277169 214061650 /nfs/dbraw/zinc/06/16/50/214061650.db2.gz BHRYIJBITJOIGZ-ZDUSSCGKSA-N 1 0 320.393 1.988 20 5 DDBDRO Cc1c(C(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000278355214 214110753 /nfs/dbraw/zinc/11/07/53/214110753.db2.gz ZVGKJIXAWWBINS-WCBMZHEXSA-N 1 0 322.321 1.682 20 5 DDBDRO COCC[N@H+](C)CCCNc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278450935 214161382 /nfs/dbraw/zinc/16/13/82/214161382.db2.gz LMLUVSRPHJCSQF-UHFFFAOYSA-N 1 0 307.354 1.851 20 5 DDBDRO CCc1n[nH]c(C(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)c1[N+](=O)[O-] ZINC000278453610 214163038 /nfs/dbraw/zinc/16/30/38/214163038.db2.gz RDBVZNBEWGGPDU-KOLCDFICSA-N 1 0 307.354 1.047 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NCCOCC[NH+](C)C ZINC000446484600 230270747 /nfs/dbraw/zinc/27/07/47/230270747.db2.gz JHUCWVVPOUZCEN-UHFFFAOYSA-N 1 0 310.354 1.603 20 5 DDBDRO CC[C@@]1(O)CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000495250803 529574979 /nfs/dbraw/zinc/57/49/79/529574979.db2.gz JKFUQLFBXJVLEQ-DZGCQCFKSA-N 1 0 310.350 1.181 20 5 DDBDRO [NH3+]C1CCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000092713827 185335691 /nfs/dbraw/zinc/33/56/91/185335691.db2.gz VNRNCQNNTFVRMA-UHFFFAOYSA-N 1 0 312.757 1.610 20 5 DDBDRO COC[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000181579265 199321406 /nfs/dbraw/zinc/32/14/06/199321406.db2.gz RZXDPEUMVWNFFJ-ZFWWWQNUSA-N 1 0 310.350 1.349 20 5 DDBDRO COC(=O)c1cc(N2CC[N@H+](C)C[C@H]2C)cc(C)c1[N+](=O)[O-] ZINC000615494269 362307025 /nfs/dbraw/zinc/30/70/25/362307025.db2.gz LSTBMBXALMFBRN-LLVKDONJSA-N 1 0 307.350 1.830 20 5 DDBDRO C[NH2+]CCCN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000423204510 529971669 /nfs/dbraw/zinc/97/16/69/529971669.db2.gz UMARDLQAGOKYPN-AWEZNQCLSA-N 1 0 303.366 1.617 20 5 DDBDRO C[NH+](C)C1CN(c2cc(CN3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000615994384 362513651 /nfs/dbraw/zinc/51/36/51/362513651.db2.gz BHOCAHBNLPOJER-UHFFFAOYSA-N 1 0 320.393 1.177 20 5 DDBDRO C[C@H](O)CC[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000181719124 199343656 /nfs/dbraw/zinc/34/36/56/199343656.db2.gz RTUDZMVWTDWDJC-JTQLQIEISA-N 1 0 313.329 1.765 20 5 DDBDRO COC(=O)CCNC(=O)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181816155 199356083 /nfs/dbraw/zinc/35/60/83/199356083.db2.gz ZGSLDGWVFVDJGI-NSHDSACASA-N 1 0 323.349 1.233 20 5 DDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1F)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000358406309 299143973 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ZINC000590687351 355147757 /nfs/dbraw/zinc/14/77/57/355147757.db2.gz YLPTYAIXMLQIQX-UHFFFAOYSA-N 1 0 315.337 1.395 20 5 DDBDRO CN1C[C@H]2CC[N@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000591037764 355236988 /nfs/dbraw/zinc/23/69/88/355236988.db2.gz ZMZDFWANZDYMPK-DOMZBBRYSA-N 1 0 318.377 1.559 20 5 DDBDRO O=[N+]([O-])c1cnc(N2C[C@H]3C[NH2+]C[C@@H]3C2)c(C(F)(F)F)c1 ZINC000591139940 355253762 /nfs/dbraw/zinc/25/37/62/355253762.db2.gz PHVOTFQWZWDAEF-HTQZYQBOSA-N 1 0 302.256 1.664 20 5 DDBDRO O=C(CCN1CC[C@@H]2CC[NH2+][C@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000591448652 355313817 /nfs/dbraw/zinc/31/38/17/355313817.db2.gz LPSOTZJENGHOGS-WFASDCNBSA-N 1 0 318.377 1.607 20 5 DDBDRO C[C@@H]1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C[C@@H]1C[NH3+] ZINC000591587027 355330813 /nfs/dbraw/zinc/33/08/13/355330813.db2.gz KTYWZPXYWWXASG-ZJUUUORDSA-N 1 0 321.333 1.380 20 5 DDBDRO Cc1cc(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])ncn1 ZINC000591757393 355378124 /nfs/dbraw/zinc/37/81/24/355378124.db2.gz VWDXBHHBSQLVLN-ZDUSSCGKSA-N 1 0 318.333 1.223 20 5 DDBDRO COc1ccccc1[C@@H]([NH3+])CNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000591681066 355360779 /nfs/dbraw/zinc/36/07/79/355360779.db2.gz OZLHDMLANAOHFY-NSHDSACASA-N 1 0 318.333 1.372 20 5 DDBDRO COc1ccccc1[C@H]([NH3+])CNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000591681065 355360787 /nfs/dbraw/zinc/36/07/87/355360787.db2.gz OZLHDMLANAOHFY-LLVKDONJSA-N 1 0 318.333 1.372 20 5 DDBDRO CN(CCC[NH3+])C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000591678986 355361158 /nfs/dbraw/zinc/36/11/58/355361158.db2.gz LYGSRRDNOXNIBW-UHFFFAOYSA-N 1 0 303.322 1.201 20 5 DDBDRO Cc1nn(CCC(=O)N2CCC(C)([NH3+])CC2)c(C)c1[N+](=O)[O-] ZINC000592331731 355561096 /nfs/dbraw/zinc/56/10/96/355561096.db2.gz YGMGIFKEAPFHOD-UHFFFAOYSA-N 1 0 309.370 1.138 20 5 DDBDRO COc1ccccc1[C@@H]([NH3+])CNC(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000592286677 355553171 /nfs/dbraw/zinc/55/31/71/355553171.db2.gz HRMCOXNJHZHBSK-JTQLQIEISA-N 1 0 319.321 1.065 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CC1(CCO)CCC1 ZINC000592431650 355581931 /nfs/dbraw/zinc/58/19/31/355581931.db2.gz VNLWHZJOCBPCEB-CYBMUJFWSA-N 1 0 324.377 1.477 20 5 DDBDRO CC1(C)C[NH2+]CCN1C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000592472653 355592815 /nfs/dbraw/zinc/59/28/15/355592815.db2.gz VWLUUOIDCXRSKW-UHFFFAOYSA-N 1 0 320.393 1.997 20 5 DDBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC(C)([NH3+])CC1 ZINC000592485175 355595962 /nfs/dbraw/zinc/59/59/62/355595962.db2.gz QCDXVVFMFWYSBO-NSHDSACASA-N 1 0 306.366 1.735 20 5 DDBDRO [NH3+]CCN(C[C@@H]1CNc2ccnn2C1)c1ccccc1[N+](=O)[O-] ZINC000592512624 355608258 /nfs/dbraw/zinc/60/82/58/355608258.db2.gz NYRFKEJRJFLWLC-LBPRGKRZSA-N 1 0 316.365 1.298 20 5 DDBDRO O=c1onc(-c2cccc([N+](=O)[O-])c2)n1CC[NH+]1CCCCC1 ZINC000592350131 355564427 /nfs/dbraw/zinc/56/44/27/355564427.db2.gz ZTPMSMKECGOVCL-UHFFFAOYSA-N 1 0 318.333 1.897 20 5 DDBDRO C[C@@H]1C[C@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CO1 ZINC000592367318 355568601 /nfs/dbraw/zinc/56/86/01/355568601.db2.gz PJWLRASPAZFUBL-MNOVXSKESA-N 1 0 314.363 1.136 20 5 DDBDRO C[C@@H](CC[NH3+])NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000592540724 355622372 /nfs/dbraw/zinc/62/23/72/355622372.db2.gz JLRLRXOMXRNVCP-LBPRGKRZSA-N 1 0 320.393 1.665 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000592569021 355632828 /nfs/dbraw/zinc/63/28/28/355632828.db2.gz VLPHYZJVORGKSV-LBPRGKRZSA-N 1 0 319.361 1.765 20 5 DDBDRO CC[C@@H]1C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H](CC)CO1 ZINC000593060282 355783758 /nfs/dbraw/zinc/78/37/58/355783758.db2.gz ZYKUJZVPGOESJM-IACUBPJLSA-N 1 0 312.370 1.042 20 5 DDBDRO COCCN1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)C(C)(C)C1 ZINC000593337951 355857395 /nfs/dbraw/zinc/85/73/95/355857395.db2.gz HMTUUAGARNYMTK-UHFFFAOYSA-N 1 0 322.365 1.173 20 5 DDBDRO C[N@H+]1CC=C(CNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000593589300 355935399 /nfs/dbraw/zinc/93/53/99/355935399.db2.gz RNMGIZBSLRAAIC-UHFFFAOYSA-N 1 0 307.325 1.655 20 5 DDBDRO CC(C)C[N@H+](C)CCCNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000593762840 355989949 /nfs/dbraw/zinc/98/99/49/355989949.db2.gz XGGGUAQWQWOKPZ-UHFFFAOYSA-N 1 0 308.382 1.885 20 5 DDBDRO CCO[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@H]1C[NH3+] ZINC000593763919 355990018 /nfs/dbraw/zinc/99/00/18/355990018.db2.gz SOTNWKMTKCZGPP-BXUZGUMPSA-N 1 0 322.365 1.731 20 5 DDBDRO O=C(NCCC1CC[NH2+]CC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000593776862 355992185 /nfs/dbraw/zinc/99/21/85/355992185.db2.gz KSUILXVSUXHWDH-UHFFFAOYSA-N 1 0 320.349 1.039 20 5 DDBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H](CO)CCF ZINC000593688610 355967326 /nfs/dbraw/zinc/96/73/26/355967326.db2.gz XHEHMHBZZILLLJ-JQWIXIFHSA-N 1 0 313.329 1.622 20 5 DDBDRO [NH3+]CC12CCC(CC1)CN2C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000593907400 356053582 /nfs/dbraw/zinc/05/35/82/356053582.db2.gz ROBLFBBTTIRBRJ-UHFFFAOYSA-N 1 0 303.362 1.867 20 5 DDBDRO C[C@H]1CCCN(C(=O)COc2ccc([N+](=O)[O-])cc2)[C@@H]1CC[NH3+] ZINC000593915309 356058296 /nfs/dbraw/zinc/05/82/96/356058296.db2.gz IPQNVLBKHKROTM-SWLSCSKDSA-N 1 0 321.377 1.950 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCCCC[C@@H]2CO)c1 ZINC000594014453 356086885 /nfs/dbraw/zinc/08/68/85/356086885.db2.gz DSXLYSZZRUDDDH-HUUCEWRRSA-N 1 0 324.377 1.571 20 5 DDBDRO Cn1c(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)ccc1[N+](=O)[O-] ZINC000594204728 356139177 /nfs/dbraw/zinc/13/91/77/356139177.db2.gz XSYHNFBNPQEGOI-VXGBXAGGSA-N 1 0 306.366 1.680 20 5 DDBDRO [NH3+]C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(F)(F)F ZINC000594451208 356221993 /nfs/dbraw/zinc/22/19/93/356221993.db2.gz YUNIIPPZVLLCFL-MRVPVSSYSA-N 1 0 311.647 1.868 20 5 DDBDRO CCC(C)(C)[NH+]1CCN(C(=O)Cn2cc([N+](=O)[O-])nc2C)CC1 ZINC000594390594 356194438 /nfs/dbraw/zinc/19/44/38/356194438.db2.gz XXWSUZMNWPWOHB-UHFFFAOYSA-N 1 0 323.397 1.433 20 5 DDBDRO CO[C@@](C)(CO)C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000594514373 356241797 /nfs/dbraw/zinc/24/17/97/356241797.db2.gz VXAMOHBQAUQGKS-GDBMZVCRSA-N 1 0 308.378 1.903 20 5 DDBDRO C[C@H](CCNS(=O)(=O)Cc1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000594821150 356327380 /nfs/dbraw/zinc/32/73/80/356327380.db2.gz JCDKKMYCCSDCFK-LLVKDONJSA-N 1 0 315.395 1.354 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCN1CCOC[C@H]1C ZINC000595014359 356371821 /nfs/dbraw/zinc/37/18/21/356371821.db2.gz UZQSVCQCXNYJJO-CHWSQXEVSA-N 1 0 323.393 1.975 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCc1nc(C)n[nH]1 ZINC000595033450 356375165 /nfs/dbraw/zinc/37/51/65/356375165.db2.gz LVXJBAAUKWBULA-SECBINFHSA-N 1 0 305.338 1.923 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCN1CCCC1=O ZINC000595044806 356376065 /nfs/dbraw/zinc/37/60/65/356376065.db2.gz FDWSKKLCWQLIAK-LLVKDONJSA-N 1 0 307.350 1.876 20 5 DDBDRO C[C@@H]([NH2+]C[C@]1(OCCO)CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000595077935 356379231 /nfs/dbraw/zinc/37/92/31/356379231.db2.gz LKENRRMDUNWJEV-IUODEOHRSA-N 1 0 310.350 1.413 20 5 DDBDRO C[C@@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1[NH3+] ZINC000595228547 356412291 /nfs/dbraw/zinc/41/22/91/356412291.db2.gz CDSNLPYUPNSAND-RNCFNFMXSA-N 1 0 311.769 1.986 20 5 DDBDRO CCOc1ccc(C(=O)N2CC[C@@H](C)[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000595228782 356412679 /nfs/dbraw/zinc/41/26/79/356412679.db2.gz LOSRRKYEARAVJX-PWSUYJOCSA-N 1 0 307.350 1.803 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](CO)C1CCC1 ZINC000595618041 356579758 /nfs/dbraw/zinc/57/97/58/356579758.db2.gz WNVARTBKOMRPNW-HNNXBMFYSA-N 1 0 321.377 1.982 20 5 DDBDRO CCOc1ccc(C(=O)NC2(C[NH3+])CCCC2)cc1[N+](=O)[O-] ZINC000236903816 202063213 /nfs/dbraw/zinc/06/32/13/202063213.db2.gz CAOCFQBHQQCOCR-UHFFFAOYSA-N 1 0 307.350 1.995 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2C[C@@H](C)[C@H](O)[C@@H](C)C2)c1 ZINC000595732270 356626120 /nfs/dbraw/zinc/62/61/20/356626120.db2.gz KTSCUFBGIORBSZ-HBYGRHMLSA-N 1 0 322.361 1.830 20 5 DDBDRO C[C@@H](O)[C@H]1CCC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000595765844 356644226 /nfs/dbraw/zinc/64/42/26/356644226.db2.gz KGJMEMQSUYSDII-ZWNOBZJWSA-N 1 0 318.333 1.990 20 5 DDBDRO C[C@H](O)[C@H]1CCC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000595768240 356644894 /nfs/dbraw/zinc/64/48/94/356644894.db2.gz FWCWDMJZQBLPDO-GXFFZTMASA-N 1 0 318.333 1.990 20 5 DDBDRO C[C@@]12COC[C@@H]1C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C2 ZINC000595759903 356641114 /nfs/dbraw/zinc/64/11/14/356641114.db2.gz QVYOBNCNFLYFCW-BLLLJJGKSA-N 1 0 319.361 1.892 20 5 DDBDRO CC[NH2+]CC1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000237009170 202119698 /nfs/dbraw/zinc/11/96/98/202119698.db2.gz NNHMVPGZGVWBRP-UHFFFAOYSA-N 1 0 321.377 1.822 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@H]2C[C@H](O)C23CCC3)c1 ZINC000595785034 356651454 /nfs/dbraw/zinc/65/14/54/356651454.db2.gz VVVUHBVZNJFYME-KBPBESRZSA-N 1 0 320.345 1.775 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000595836995 356672351 /nfs/dbraw/zinc/67/23/51/356672351.db2.gz ZQIPEGFZQVMEAB-HZSPNIEDSA-N 1 0 322.361 1.303 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCC(C[NH3+])CC1 ZINC000237057794 202137175 /nfs/dbraw/zinc/13/71/75/202137175.db2.gz CMOUBTJXRPKJJY-UHFFFAOYSA-N 1 0 306.366 1.472 20 5 DDBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H]3COC[C@@H]3C2)c2c(c1)COCO2 ZINC000595830709 356668164 /nfs/dbraw/zinc/66/81/64/356668164.db2.gz LGUJHLHFENSEBX-FZMZJTMJSA-N 1 0 320.345 1.930 20 5 DDBDRO C[C@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@]1(C)CO ZINC000595876235 356688350 /nfs/dbraw/zinc/68/83/50/356688350.db2.gz RCSWIXFKNAAHQK-LRDDRELGSA-N 1 0 321.377 1.874 20 5 DDBDRO C[NH2+]C[C@@H]1CCCN1C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000237088440 202151114 /nfs/dbraw/zinc/15/11/14/202151114.db2.gz KYYHOGCOCUQZGK-JTQLQIEISA-N 1 0 311.313 1.323 20 5 DDBDRO CN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)CC(C)(C)[NH3+] ZINC000595899981 356697026 /nfs/dbraw/zinc/69/70/26/356697026.db2.gz XEHAGMAQGBCNNI-UHFFFAOYSA-N 1 0 305.338 1.814 20 5 DDBDRO Cc1c(C[NH3+])c(NC(=O)Cc2ccc([N+](=O)[O-])cc2)nn1C ZINC000595962069 356725506 /nfs/dbraw/zinc/72/55/06/356725506.db2.gz OVIJRNXSCQIUNY-UHFFFAOYSA-N 1 0 303.322 1.277 20 5 DDBDRO CCCN1CC[C@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000596064901 356758764 /nfs/dbraw/zinc/75/87/64/356758764.db2.gz CFRIQBDCNDIZED-ZDUSSCGKSA-N 1 0 320.393 1.997 20 5 DDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000596091135 356768796 /nfs/dbraw/zinc/76/87/96/356768796.db2.gz WBAQOBARJUHHLH-JTQLQIEISA-N 1 0 304.350 1.603 20 5 DDBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC(CO)([NH2+]C(C)C)CC1 ZINC000596251643 356833273 /nfs/dbraw/zinc/83/32/73/356833273.db2.gz UKLAATYUPWBUNL-UHFFFAOYSA-N 1 0 308.382 1.628 20 5 DDBDRO CSC1(CNc2cc[nH]c(=O)c2[N+](=O)[O-])CC[NH+](C)CC1 ZINC000596237709 356828439 /nfs/dbraw/zinc/82/84/39/356828439.db2.gz HBYJWHCYNUAXRW-UHFFFAOYSA-N 1 0 312.395 1.935 20 5 DDBDRO COC(=O)c1cc(N(C)CC2C[NH+](C)C2)cc(C)c1[N+](=O)[O-] ZINC000596452102 356883835 /nfs/dbraw/zinc/88/38/35/356883835.db2.gz CIJQPZJDJFOQLU-UHFFFAOYSA-N 1 0 307.350 1.688 20 5 DDBDRO Cc1cnc(N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c([N+](=O)[O-])c1 ZINC000596538616 356911058 /nfs/dbraw/zinc/91/10/58/356911058.db2.gz MVFIBNKFMPAREO-CYBMUJFWSA-N 1 0 306.366 1.334 20 5 DDBDRO C[NH+](C)CCC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CCO1 ZINC000596497305 356898506 /nfs/dbraw/zinc/89/85/06/356898506.db2.gz ODLRXRAYJSHILY-GFCCVEGCSA-N 1 0 310.354 1.106 20 5 DDBDRO COc1cc(C(=O)N[C@@H]2CCC[NH2+]C2)c([N+](=O)[O-])cc1OC ZINC000237268052 202211418 /nfs/dbraw/zinc/21/14/18/202211418.db2.gz TUIMFIRKERRSRO-SECBINFHSA-N 1 0 309.322 1.094 20 5 DDBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C1([C@H](C)O)CC1 ZINC000597234709 357104338 /nfs/dbraw/zinc/10/43/38/357104338.db2.gz OYSLMBBUCDJELE-MNOVXSKESA-N 1 0 307.350 1.815 20 5 DDBDRO Cc1nn(C)c(C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)c1[N+](=O)[O-] ZINC000597859016 357361578 /nfs/dbraw/zinc/36/15/78/357361578.db2.gz PYBRHMJKHBMVGF-SNVBAGLBSA-N 1 0 309.370 1.239 20 5 DDBDRO COc1cc(C(=O)N(C)CC2C[NH+](C)C2)c([N+](=O)[O-])cc1OC ZINC000598162020 357478651 /nfs/dbraw/zinc/47/86/51/357478651.db2.gz GLTUORRZZMHXAD-UHFFFAOYSA-N 1 0 323.349 1.246 20 5 DDBDRO CCC[N@@H+]1CC[C@@H](NC(=O)COc2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000598341816 357544041 /nfs/dbraw/zinc/54/40/41/357544041.db2.gz GLCYCXTYRZPEGH-CYBMUJFWSA-N 1 0 321.377 1.883 20 5 DDBDRO CCC[N@H+](C)CC(C)(C)NC(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000598464234 357591831 /nfs/dbraw/zinc/59/18/31/357591831.db2.gz CLUHDOKWIBSJTK-UHFFFAOYSA-N 1 0 311.386 1.661 20 5 DDBDRO COc1cccc(C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)c1[N+](=O)[O-] ZINC000598668468 357678398 /nfs/dbraw/zinc/67/83/98/357678398.db2.gz UALXRDCEVQPVBW-BMIGLBTASA-N 1 0 305.334 1.557 20 5 DDBDRO COc1ccc(CNC(=O)CC[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000598664808 357676709 /nfs/dbraw/zinc/67/67/09/357676709.db2.gz NEVRTESCHUTQGO-LBPRGKRZSA-N 1 0 321.377 1.999 20 5 DDBDRO COc1ccc(CNC(=O)CC[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000598664807 357676986 /nfs/dbraw/zinc/67/69/86/357676986.db2.gz NEVRTESCHUTQGO-GFCCVEGCSA-N 1 0 321.377 1.999 20 5 DDBDRO CC(C)[C@@H]1CN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000598569247 357635140 /nfs/dbraw/zinc/63/51/40/357635140.db2.gz CBEHFRMHPQFACE-ZDUSSCGKSA-N 1 0 309.341 1.733 20 5 DDBDRO CC[NH2+]CCCNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C ZINC000598716510 357701668 /nfs/dbraw/zinc/70/16/68/357701668.db2.gz KJQQHEFBHRJBKQ-UHFFFAOYSA-N 1 0 315.395 1.490 20 5 DDBDRO [NH3+][C@@]12CCC[C@@H]1CN(S(=O)(=O)c1cccc([N+](=O)[O-])c1)C2 ZINC000598723236 357703930 /nfs/dbraw/zinc/70/39/30/357703930.db2.gz FOKJBWJVNIYMOW-ZWNOBZJWSA-N 1 0 311.363 1.097 20 5 DDBDRO NC(=O)[C@H]1C[C@H]([NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000599071457 357807917 /nfs/dbraw/zinc/80/79/17/357807917.db2.gz VOIGFRWNSKYNMR-FIQHERPVSA-N 1 0 307.354 1.129 20 5 DDBDRO CC1([NH+]2CCOCC2)CCN(c2ncc([N+](=O)[O-])cn2)CC1 ZINC000599160599 357833062 /nfs/dbraw/zinc/83/30/62/357833062.db2.gz NUSYACYZDSIKBJ-UHFFFAOYSA-N 1 0 307.354 1.076 20 5 DDBDRO CCO[C@H](C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1)C1CC1 ZINC000599436419 357934905 /nfs/dbraw/zinc/93/49/05/357934905.db2.gz DMMOTHOSQNAGOE-OAHLLOKOSA-N 1 0 320.393 1.927 20 5 DDBDRO COc1ccc(OCC[N@H+](C)[C@H]2C[C@@H](C(N)=O)C2)c([N+](=O)[O-])c1 ZINC000599644075 358003680 /nfs/dbraw/zinc/00/36/80/358003680.db2.gz HVFUJOPYGMQLFC-PHIMTYICSA-N 1 0 323.349 1.178 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)C[C@H]1C[C@@H](O)C1 ZINC000599670430 358018455 /nfs/dbraw/zinc/01/84/55/358018455.db2.gz FNOPJDFWEXEUPW-TXEJJXNPSA-N 1 0 307.350 1.544 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CC[C@@H]3CC[C@@H](O)[C@@H]32)c1 ZINC000599680547 358023034 /nfs/dbraw/zinc/02/30/34/358023034.db2.gz GBCFAVZVJLQRTJ-KSZJFAHPSA-N 1 0 322.361 1.180 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000599904029 358078173 /nfs/dbraw/zinc/07/81/73/358078173.db2.gz TWGAXNFTCOISMQ-WDEREUQCSA-N 1 0 320.349 1.017 20 5 DDBDRO CCN(C(=O)COc1ccccc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000599986209 358096645 /nfs/dbraw/zinc/09/66/45/358096645.db2.gz RAXHQPKWCHJYKF-UHFFFAOYSA-N 1 0 321.377 1.916 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000599989203 358096996 /nfs/dbraw/zinc/09/69/96/358096996.db2.gz VZQKWSBMJVXTNT-IMRBUKKESA-N 1 0 305.334 1.235 20 5 DDBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1COCCN1 ZINC000600677562 358280602 /nfs/dbraw/zinc/28/06/02/358280602.db2.gz FPBIFGLHXHQQFA-IMJJTQAJSA-N 1 0 319.405 1.884 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CC[C@H]1CCCOC1 ZINC000600744073 358304597 /nfs/dbraw/zinc/30/45/97/358304597.db2.gz KJQZHTQWRQTVRW-ZIAGYGMSSA-N 1 0 324.377 1.741 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CC[C@@H]2CCCOC2)c1 ZINC000600747584 358305959 /nfs/dbraw/zinc/30/59/59/358305959.db2.gz YZUVRSSTMOQUOS-DZGCQCFKSA-N 1 0 324.377 1.741 20 5 DDBDRO CC[N@@H+]1C[C@@H](C)N(c2ccc3ncc([N+](=O)[O-])n3n2)C[C@H]1C ZINC000348108974 283372230 /nfs/dbraw/zinc/37/22/30/283372230.db2.gz VLXMWIGSXGNZTM-GHMZBOCLSA-N 1 0 304.354 1.556 20 5 DDBDRO C[NH+](C)CCn1cc(NC(=O)c2c(F)cccc2[N+](=O)[O-])cn1 ZINC000601028730 358387075 /nfs/dbraw/zinc/38/70/75/358387075.db2.gz VPLIKUZMYUWOCP-UHFFFAOYSA-N 1 0 321.312 1.744 20 5 DDBDRO O=[N+]([O-])c1ccc2nccc(N3CCC([NH2+]CCO)CC3)c2c1 ZINC000601136104 358417113 /nfs/dbraw/zinc/41/71/13/358417113.db2.gz OTAVHSKMIAPZQQ-UHFFFAOYSA-N 1 0 316.361 1.694 20 5 DDBDRO CN1CC[C@H]([NH+]2CCC(Nc3ccc([N+](=O)[O-])cc3)CC2)C1=O ZINC000601177361 358435564 /nfs/dbraw/zinc/43/55/64/358435564.db2.gz UMNFQBXEAYAVIN-HNNXBMFYSA-N 1 0 318.377 1.702 20 5 DDBDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)c3c(F)cccc3[N+](=O)[O-])[C@@H]2C1 ZINC000601646961 358635003 /nfs/dbraw/zinc/63/50/03/358635003.db2.gz KIHXAZNRVDKKNZ-GXFFZTMASA-N 1 0 307.325 1.900 20 5 DDBDRO Cn1cc([N+](=O)[O-])c(C(=O)N2CCC(C)([NH+]3CCCC3)CC2)n1 ZINC000601740676 358673921 /nfs/dbraw/zinc/67/39/21/358673921.db2.gz XBMQAQGTDUEJPD-UHFFFAOYSA-N 1 0 321.381 1.419 20 5 DDBDRO CCC1([NH+]2CCCC2)CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000601745366 358675388 /nfs/dbraw/zinc/67/53/88/358675388.db2.gz SEPOGCOUISIGTM-UHFFFAOYSA-N 1 0 321.381 1.799 20 5 DDBDRO CCC1([NH+](C)C)CCN(C(=O)c2c([N+](=O)[O-])c(C)nn2C)CC1 ZINC000601791889 358697447 /nfs/dbraw/zinc/69/74/47/358697447.db2.gz PKKIFXKLMJLFMN-UHFFFAOYSA-N 1 0 323.397 1.583 20 5 DDBDRO C[N@@H+]1CCCC[C@H]1C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000602037463 358786883 /nfs/dbraw/zinc/78/68/83/358786883.db2.gz BAGDBMVBTDKVTH-AWEZNQCLSA-N 1 0 306.366 1.607 20 5 DDBDRO Cc1nn(C)c(C(=O)N[C@H]2C[C@@H]([NH+](C)C)C2(C)C)c1[N+](=O)[O-] ZINC000602170336 358861871 /nfs/dbraw/zinc/86/18/71/358861871.db2.gz JDRSKEQVYXDSAM-VHSXEESVSA-N 1 0 309.370 1.095 20 5 DDBDRO C[N@@H+]1CC[C@H](CC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1 ZINC000602140995 358841132 /nfs/dbraw/zinc/84/11/32/358841132.db2.gz KCTBZYBDXMLQTK-GFCCVEGCSA-N 1 0 321.381 1.297 20 5 DDBDRO C[C@@H](CC(N)=O)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602568790 359048812 /nfs/dbraw/zinc/04/88/12/359048812.db2.gz MRAKQZUESXZUSY-YFKPBYRVSA-N 1 0 322.184 1.772 20 5 DDBDRO C[NH2+]CCOCCNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000602568859 359049009 /nfs/dbraw/zinc/04/90/09/359049009.db2.gz YMQPRQDGNICGMT-UHFFFAOYSA-N 1 0 323.374 1.775 20 5 DDBDRO CC(C)[C@@H]1C[NH2+]CCN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000602532672 359031218 /nfs/dbraw/zinc/03/12/18/359031218.db2.gz ZRTNGYZKFODBKJ-HNNXBMFYSA-N 1 0 320.393 1.853 20 5 DDBDRO COc1ccc(CC(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)cc1[N+](=O)[O-] ZINC000602553367 359042628 /nfs/dbraw/zinc/04/26/28/359042628.db2.gz JUDCVXNBFFWJGX-PWSUYJOCSA-N 1 0 307.350 1.403 20 5 DDBDRO CC(C)(C[NH2+]CCc1ccccc1[N+](=O)[O-])N1CCOCC1 ZINC000602555873 359043485 /nfs/dbraw/zinc/04/34/85/359043485.db2.gz CJFNINRJLVPBEM-UHFFFAOYSA-N 1 0 307.394 1.838 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000602557225 359044446 /nfs/dbraw/zinc/04/44/46/359044446.db2.gz YJCPREGEAXGNTB-WDEREUQCSA-N 1 0 307.350 1.864 20 5 DDBDRO CC(C)(C)[C@H](O)C[C@@H](CO)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602656236 359104041 /nfs/dbraw/zinc/10/40/41/359104041.db2.gz XJJJSUYOEIKLDR-DZGCQCFKSA-N 1 0 310.394 1.885 20 5 DDBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCCN(CCCO)C2)cc1 ZINC000602674345 359118368 /nfs/dbraw/zinc/11/83/68/359118368.db2.gz OTLDHCUIRNMTBG-OAHLLOKOSA-N 1 0 307.394 1.574 20 5 DDBDRO C[C@H](CCCO)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602675645 359119593 /nfs/dbraw/zinc/11/95/93/359119593.db2.gz VIQLNBPSDDRKRT-CYBMUJFWSA-N 1 0 322.409 1.957 20 5 DDBDRO Cn1cc(CN2CC[N@H+](C)CC23CCCCC3)c([N+](=O)[O-])n1 ZINC000602779713 359184995 /nfs/dbraw/zinc/18/49/95/359184995.db2.gz NOUVXWGONDYSRV-UHFFFAOYSA-N 1 0 307.398 1.779 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+](Cc1ccccc1)C[C@H](C)O ZINC000602781562 359186097 /nfs/dbraw/zinc/18/60/97/359186097.db2.gz TVCIFOBKMGTBAA-ZDUSSCGKSA-N 1 0 318.377 1.983 20 5 DDBDRO CCCN1C[C@H](C[NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1=O ZINC000602696818 359132498 /nfs/dbraw/zinc/13/24/98/359132498.db2.gz GYYPEJWMTZKJKI-AWEZNQCLSA-N 1 0 305.378 1.985 20 5 DDBDRO O=C1CC[C@@H](C[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])N1 ZINC000602718078 359147160 /nfs/dbraw/zinc/14/71/60/359147160.db2.gz PVWVRUVVJYZDSF-JTQLQIEISA-N 1 0 317.267 1.982 20 5 DDBDRO CC(C)[C@@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])C1(CO)CC=CC1 ZINC000602850057 359237881 /nfs/dbraw/zinc/23/78/81/359237881.db2.gz MPPNBPFKPRPJDM-CYBMUJFWSA-N 1 0 308.382 1.771 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CCN1CC[N@@H+](C)[C@H](C(C)(C)C)C1 ZINC000602873307 359257404 /nfs/dbraw/zinc/25/74/04/359257404.db2.gz IVTBKGYKECRNED-ZDUSSCGKSA-N 1 0 309.414 1.762 20 5 DDBDRO C[C@@H](C(=O)N[C@@H](CO)C[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000603053792 359378669 /nfs/dbraw/zinc/37/86/69/359378669.db2.gz SJTOHIYZWDQHSM-TZMCWYRMSA-N 1 0 321.377 1.271 20 5 DDBDRO C[C@@](CO)([NH2+]CCO[C@H]1CC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000602962545 359324891 /nfs/dbraw/zinc/32/48/91/359324891.db2.gz MIPVPJHBGMGWDA-STQMWFEESA-N 1 0 316.304 1.816 20 5 DDBDRO CN(C)C(=O)CCC[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602962522 359325142 /nfs/dbraw/zinc/32/51/42/359325142.db2.gz LPMYRGKRNDTNIS-OAHLLOKOSA-N 1 0 309.366 1.260 20 5 DDBDRO Cc1c(Cn2cc(CSCC[NH3+])nn2)cccc1[N+](=O)[O-] ZINC000603198921 359475063 /nfs/dbraw/zinc/47/50/63/359475063.db2.gz RGVMOCKNBXLQON-UHFFFAOYSA-N 1 0 307.379 1.735 20 5 DDBDRO Cc1nn(CCC(=O)N(C)CC[N@H+](C)C2CC2)c(C)c1[N+](=O)[O-] ZINC000186767136 200007516 /nfs/dbraw/zinc/00/75/16/200007516.db2.gz NEGIUSZWRZYVQV-UHFFFAOYSA-N 1 0 323.397 1.351 20 5 DDBDRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000186899355 200028326 /nfs/dbraw/zinc/02/83/26/200028326.db2.gz MYQCKBMQOHNILS-GWCFXTLKSA-N 1 0 309.391 1.801 20 5 DDBDRO C[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)[C@H](C)C[NH2+]1 ZINC000237438885 202265054 /nfs/dbraw/zinc/26/50/54/202265054.db2.gz GNCJUCVYANRARE-NXEZZACHSA-N 1 0 311.769 2.000 20 5 DDBDRO C[C@H](CO)C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000237613583 202304822 /nfs/dbraw/zinc/30/48/22/202304822.db2.gz NBRXGSJHKNCGAG-NSHDSACASA-N 1 0 304.350 1.713 20 5 DDBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CCc2cnccn2)n1 ZINC000358989362 299300694 /nfs/dbraw/zinc/30/06/94/299300694.db2.gz QPUJKAWHJNKVHP-KBPBESRZSA-N 1 0 316.365 1.897 20 5 DDBDRO [NH3+]C[C@H](NC(=O)COc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000237871085 202374856 /nfs/dbraw/zinc/37/48/56/202374856.db2.gz UPYNWVGLXZCWAK-ZDUSSCGKSA-N 1 0 321.377 1.997 20 5 DDBDRO CNc1ccc(C(=O)N[C@H]2CC[N@H+](CCOC)C2)cc1[N+](=O)[O-] ZINC000609347445 360299558 /nfs/dbraw/zinc/29/95/58/360299558.db2.gz KZBWNCUZHQBOJO-LBPRGKRZSA-N 1 0 322.365 1.087 20 5 DDBDRO CC(C)[NH2+][C@H]1CCCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000609386451 360304833 /nfs/dbraw/zinc/30/48/33/360304833.db2.gz UEQQYLXTEYHXHT-AWEZNQCLSA-N 1 0 320.393 1.656 20 5 DDBDRO CCCc1n[nH]c(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)c1[N+](=O)[O-] ZINC000609478984 360311659 /nfs/dbraw/zinc/31/16/59/360311659.db2.gz AHTAGLBHKYBWAI-NSHDSACASA-N 1 0 321.381 1.485 20 5 DDBDRO O=C1[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCN1C1CCOCC1 ZINC000610479546 360445675 /nfs/dbraw/zinc/44/56/75/360445675.db2.gz AVGORHWDTHSQIF-HNNXBMFYSA-N 1 0 319.361 1.464 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000610411325 360429468 /nfs/dbraw/zinc/42/94/68/360429468.db2.gz RACWKXIKQZPYCS-UHFFFAOYSA-N 1 0 323.397 1.410 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC000610798378 360539834 /nfs/dbraw/zinc/53/98/34/360539834.db2.gz YNEGUSPLHCJQFX-NWDGAFQWSA-N 1 0 312.391 1.989 20 5 DDBDRO CCOC(=O)C[C@@H](O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000611237148 360672838 /nfs/dbraw/zinc/67/28/38/360672838.db2.gz ABZVBMOEDKMAOV-OAHLLOKOSA-N 1 0 322.361 1.873 20 5 DDBDRO [NH3+][C@@H]1CC[C@@H](C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000172818994 283594433 /nfs/dbraw/zinc/59/44/33/283594433.db2.gz DGAKMJVBTNBYPP-CHWSQXEVSA-N 1 0 318.377 1.371 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CC(CC(F)(F)F)C2)c1 ZINC000612681128 361108037 /nfs/dbraw/zinc/10/80/37/361108037.db2.gz YRFLLROCXJZZTE-JTQLQIEISA-N 1 0 308.260 1.036 20 5 DDBDRO CCC[NH2+]CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1CC ZINC000193343776 201036193 /nfs/dbraw/zinc/03/61/93/201036193.db2.gz MXTWVDPFJUPJIT-UHFFFAOYSA-N 1 0 315.395 1.435 20 5 DDBDRO C[C@H]1[NH2+]CCC[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000193520714 201067952 /nfs/dbraw/zinc/06/79/52/201067952.db2.gz NTNYDXYXDWLEKP-ZWNOBZJWSA-N 1 0 306.366 1.531 20 5 DDBDRO C[C@H]1[NH2+]CCC[C@H]1NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000193558600 201074881 /nfs/dbraw/zinc/07/48/81/201074881.db2.gz WKGPLULPBKGMAC-LDYMZIIASA-N 1 0 303.322 1.341 20 5 DDBDRO C[NH+](C)C[C@]1(O)CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000619253610 363946517 /nfs/dbraw/zinc/94/65/17/363946517.db2.gz AVHBNQLVOOGYLJ-MRXNPFEDSA-N 1 0 321.377 1.052 20 5 DDBDRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000619578848 364070891 /nfs/dbraw/zinc/07/08/91/364070891.db2.gz SAORSRHOXZELHL-LLVKDONJSA-N 1 0 309.370 1.193 20 5 DDBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000262056111 203186297 /nfs/dbraw/zinc/18/62/97/203186297.db2.gz HXGRBPWYELZEMN-XJKSGUPXSA-N 1 0 303.362 1.991 20 5 DDBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC1CC[NH2+]CC1 ZINC000262095815 203196893 /nfs/dbraw/zinc/19/68/93/203196893.db2.gz BLYLYIPFKJBZAT-SNVBAGLBSA-N 1 0 309.391 1.944 20 5 DDBDRO O=C(NC1CC[NH2+]CC1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000262515757 203315919 /nfs/dbraw/zinc/31/59/19/203315919.db2.gz RXTVGGGJGJJWSY-UHFFFAOYSA-N 1 0 315.333 1.262 20 5 DDBDRO COC(=O)c1cc(NC(=O)C[NH2+]CC2CC2)cc([N+](=O)[O-])c1 ZINC000262600590 203346534 /nfs/dbraw/zinc/34/65/34/203346534.db2.gz BVECFOXXSCNQQC-UHFFFAOYSA-N 1 0 307.306 1.320 20 5 DDBDRO Cc1nn(C)cc1C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000093534236 193266691 /nfs/dbraw/zinc/26/66/91/193266691.db2.gz BLVZKPAZVVMCHV-CYBMUJFWSA-N 1 0 316.365 1.718 20 5 DDBDRO C[C@@H]1[NH2+]CCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000262751704 203398131 /nfs/dbraw/zinc/39/81/31/203398131.db2.gz GPAIWIQWHDEUCB-QWRGUYRKSA-N 1 0 313.379 1.107 20 5 DDBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000288249706 220043353 /nfs/dbraw/zinc/04/33/53/220043353.db2.gz GAFYIULEFCMPGT-OLZOCXBDSA-N 1 0 321.381 1.267 20 5 DDBDRO C[C@@H]1CN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C[C@@H](C)[NH2+]1 ZINC000566556179 304168267 /nfs/dbraw/zinc/16/82/67/304168267.db2.gz HGXFFWGZHHNRFE-RKDXNWHRSA-N 1 0 307.306 1.146 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000351494185 284342940 /nfs/dbraw/zinc/34/29/40/284342940.db2.gz NTQKFTYUGUMKJM-IACUBPJLSA-N 1 0 318.377 1.511 20 5 DDBDRO COc1cc(C(=O)NC[C@H](C)[NH+](C)C)cc([N+](=O)[O-])c1OC ZINC000266118487 205113012 /nfs/dbraw/zinc/11/30/12/205113012.db2.gz XXBIEQIUUKKYIG-VIFPVBQESA-N 1 0 311.338 1.292 20 5 DDBDRO C[N@H+](CCCn1ccnc1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000271684224 209124840 /nfs/dbraw/zinc/12/48/40/209124840.db2.gz KLFMPZWVTAARAW-OAHLLOKOSA-N 1 0 304.350 1.847 20 5 DDBDRO CC(C)[C@@H](CCO)[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000266189647 205171556 /nfs/dbraw/zinc/17/15/56/205171556.db2.gz XWIJFDVNZBZBRH-CQSZACIVSA-N 1 0 310.350 1.958 20 5 DDBDRO O=C(COc1cccc([N+](=O)[O-])c1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000288539094 220218434 /nfs/dbraw/zinc/21/84/34/220218434.db2.gz AFUMTISFLZIIHF-INIZCTEOSA-N 1 0 319.361 1.576 20 5 DDBDRO COc1cc([N+](=O)[O-])c(C(=O)NCC(C)(C)[NH3+])cc1SC ZINC000159967383 197376880 /nfs/dbraw/zinc/37/68/80/197376880.db2.gz MBHNIRMCYPNFJS-UHFFFAOYSA-N 1 0 313.379 1.792 20 5 DDBDRO COc1ccc(OCC[N@@H+]2CCCC[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000159918913 248313544 /nfs/dbraw/zinc/31/35/44/248313544.db2.gz RUVOMUIPMDZAMS-GFCCVEGCSA-N 1 0 310.350 1.829 20 5 DDBDRO COC(=O)c1cc(C(=O)NCC(C)(C)[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000042159367 183236521 /nfs/dbraw/zinc/23/65/21/183236521.db2.gz NTKFKIKJKQKXCU-UHFFFAOYSA-N 1 0 323.349 1.451 20 5 DDBDRO C[C@@H](CO)[C@H](C)[NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000274042312 211299066 /nfs/dbraw/zinc/29/90/66/211299066.db2.gz ORNJLDWOWZEJMU-IUCAKERBSA-N 1 0 315.757 1.793 20 5 DDBDRO C[C@H](CNC(=O)NCCc1ccc([N+](=O)[O-])cc1)[N@H+](C)C1CC1 ZINC000105177123 194082144 /nfs/dbraw/zinc/08/21/44/194082144.db2.gz NTOVWQBMERYRCR-GFCCVEGCSA-N 1 0 320.393 1.919 20 5 DDBDRO CC(C)(C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)n1cc([N+](=O)[O-])cn1 ZINC000338670296 250084897 /nfs/dbraw/zinc/08/48/97/250084897.db2.gz BQPFSPNPUCROKD-NWDGAFQWSA-N 1 0 321.381 1.269 20 5 DDBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000338677710 250087427 /nfs/dbraw/zinc/08/74/27/250087427.db2.gz RFUPWIUWBBTOBS-LBPRGKRZSA-N 1 0 323.397 1.375 20 5 DDBDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000285240763 218346930 /nfs/dbraw/zinc/34/69/30/218346930.db2.gz YTCZNHNAMAGKDY-MXWKQRLJSA-N 1 0 309.370 1.414 20 5 DDBDRO CCCc1n[nH]c(C(=O)NCC2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000109621516 194277774 /nfs/dbraw/zinc/27/77/74/194277774.db2.gz GGHOOJSLELNXIX-UHFFFAOYSA-N 1 0 309.370 1.342 20 5 DDBDRO COc1cc(C(=O)N(C)[C@H]2CC[NH2+]C2)c([N+](=O)[O-])cc1OC ZINC000058233503 184092930 /nfs/dbraw/zinc/09/29/30/184092930.db2.gz SLWOYQZKUHTXNK-VIFPVBQESA-N 1 0 309.322 1.046 20 5 DDBDRO O=C(C[C@H]1C[NH2+]CCO1)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000269210130 207329763 /nfs/dbraw/zinc/32/97/63/207329763.db2.gz BPGOTPWFLTYORY-HNNXBMFYSA-N 1 0 321.377 1.412 20 5 DDBDRO CC[N@H+](CCC(=O)OC)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000065670410 184376450 /nfs/dbraw/zinc/37/64/50/184376450.db2.gz WSBGAHFOXXMEMD-UHFFFAOYSA-N 1 0 309.322 1.079 20 5 DDBDRO O=[N+]([O-])c1ccc(-c2noc(N3CC[C@H]4[NH2+]CC[C@H]4C3)n2)cc1 ZINC000420265000 285106936 /nfs/dbraw/zinc/10/69/36/285106936.db2.gz VNOIHXWKDJTVCQ-WCQYABFASA-N 1 0 315.333 1.833 20 5 DDBDRO O=C(COc1ccccc1[N+](=O)[O-])N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000159186593 197333908 /nfs/dbraw/zinc/33/39/08/197333908.db2.gz SDBKVIZXYXUULQ-OAHLLOKOSA-N 1 0 305.334 1.186 20 5 DDBDRO C[NH+](C)C1CN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000158335942 197263218 /nfs/dbraw/zinc/26/32/18/197263218.db2.gz VAEXNEQWEBEHGP-UHFFFAOYSA-N 1 0 318.377 1.581 20 5 DDBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000271474929 208941241 /nfs/dbraw/zinc/94/12/41/208941241.db2.gz ZJMXDATUACXCRN-LLVKDONJSA-N 1 0 309.370 1.132 20 5 DDBDRO CNC(=O)CCC[N@H+](C)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000155354134 197047065 /nfs/dbraw/zinc/04/70/65/197047065.db2.gz IPIWDDOHYMRRPW-LLVKDONJSA-N 1 0 322.365 1.380 20 5 DDBDRO C[N@H+](C[C@H](O)CN1CCOc2ccc([N+](=O)[O-])cc2C1)C1CC1 ZINC000352708227 285243858 /nfs/dbraw/zinc/24/38/58/285243858.db2.gz FOKFKODTDXQGEJ-HNNXBMFYSA-N 1 0 321.377 1.244 20 5 DDBDRO CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000289670662 221142764 /nfs/dbraw/zinc/14/27/64/221142764.db2.gz RLPXWKXWKTVESU-SWLSCSKDSA-N 1 0 320.393 1.757 20 5 DDBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000289809741 221241662 /nfs/dbraw/zinc/24/16/62/221241662.db2.gz PIMIVFVGQKPQQH-RYUDHWBXSA-N 1 0 321.402 1.755 20 5 DDBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000290033842 221391926 /nfs/dbraw/zinc/39/19/26/221391926.db2.gz GEBCHANMJOYRLL-GHMZBOCLSA-N 1 0 321.402 1.998 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000414656175 533226230 /nfs/dbraw/zinc/22/62/30/533226230.db2.gz MSSGPIROWOFFNC-GHMZBOCLSA-N 1 0 320.349 1.677 20 5 DDBDRO COc1cc(C(=O)NCC[C@@H]2CC[NH2+]C2)cc([N+](=O)[O-])c1C ZINC000422807987 533535617 /nfs/dbraw/zinc/53/56/17/533535617.db2.gz PPPVKTGEGHEEGE-NSHDSACASA-N 1 0 307.350 1.641 20 5 DDBDRO COc1cc(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cc([N+](=O)[O-])c1C ZINC000423596186 533548259 /nfs/dbraw/zinc/54/82/59/533548259.db2.gz RCVQKRIPIVKNHG-NWDGAFQWSA-N 1 0 307.350 1.912 20 5 DDBDRO Cc1n[nH]c(C(=O)NC[C@H](C)C[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000299556161 533664746 /nfs/dbraw/zinc/66/47/46/533664746.db2.gz SDJUZBCZXFSLAN-JTQLQIEISA-N 1 0 309.370 1.478 20 5 DDBDRO C[C@H]([NH3+])CCNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000569222570 304342827 /nfs/dbraw/zinc/34/28/27/304342827.db2.gz OMAVBTHIWQXJCN-LBPRGKRZSA-N 1 0 320.393 1.665 20 5 DDBDRO Cn1c(Sc2ccncc2[N+](=O)[O-])nnc1[C@@H]1CCC[NH2+]C1 ZINC000360910393 306990984 /nfs/dbraw/zinc/99/09/84/306990984.db2.gz SOIACKMRGLOKHZ-SECBINFHSA-N 1 0 320.378 1.737 20 5 DDBDRO CN(C)C(=O)CC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000266570362 407563061 /nfs/dbraw/zinc/56/30/61/407563061.db2.gz CYAOAYOWPZVARJ-UHFFFAOYSA-N 1 0 321.377 1.916 20 5 DDBDRO O=C(Cc1ccccc1[N+](=O)[O-])N[C@H]1C[C@@H]1C1CC[NH2+]CC1 ZINC000361077423 299798721 /nfs/dbraw/zinc/79/87/21/299798721.db2.gz BFXKDVPYSGGOLY-KGLIPLIRSA-N 1 0 303.362 1.642 20 5 DDBDRO CN(C(=O)COc1ccc([N+](=O)[O-])cc1)C1CC[NH+](C)CC1 ZINC000068192304 406622092 /nfs/dbraw/zinc/62/20/92/406622092.db2.gz IRKIDPUVMVSMAN-UHFFFAOYSA-N 1 0 307.350 1.526 20 5 DDBDRO Cc1n[nH]c(C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000072061741 406872555 /nfs/dbraw/zinc/87/25/55/406872555.db2.gz PZNZFAXZPFRYRO-NSHDSACASA-N 1 0 309.370 1.477 20 5 DDBDRO Cc1c(Cl)cc(S(=O)(=O)NC2CC([NH3+])C2)cc1[N+](=O)[O-] ZINC000036265760 406978373 /nfs/dbraw/zinc/97/83/73/406978373.db2.gz LLXSAJNWXJKPLU-UHFFFAOYSA-N 1 0 319.770 1.325 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NCC[NH+]1CCC(C)CC1 ZINC000046957321 407067811 /nfs/dbraw/zinc/06/78/11/407067811.db2.gz UYLNICJQOJXIFV-UHFFFAOYSA-N 1 0 306.366 1.760 20 5 DDBDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000046988448 407068361 /nfs/dbraw/zinc/06/83/61/407068361.db2.gz UZIGPMSWTFQQPD-ZDUSSCGKSA-N 1 0 323.397 1.562 20 5 DDBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000055407958 407203375 /nfs/dbraw/zinc/20/33/75/407203375.db2.gz XOGZHPKFVRGPIG-VXGBXAGGSA-N 1 0 309.370 1.028 20 5 DDBDRO NC(=O)C1CC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000055897460 407207804 /nfs/dbraw/zinc/20/78/04/407207804.db2.gz INENGBUYTPXVDX-UHFFFAOYSA-N 1 0 307.350 1.561 20 5 DDBDRO C[NH+](C)[C@H]1CCN(c2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000062984511 407231494 /nfs/dbraw/zinc/23/14/94/407231494.db2.gz ZAPMXCCNWUZMOL-VIFPVBQESA-N 1 0 315.171 1.893 20 5 DDBDRO CC[N@H+](CCNC(=O)CCn1cc([N+](=O)[O-])nc1C)C(C)C ZINC000102478804 407323501 /nfs/dbraw/zinc/32/35/01/407323501.db2.gz SVZDAELAEGSVJJ-UHFFFAOYSA-N 1 0 311.386 1.336 20 5 DDBDRO CC[C@@H]([NH3+])CNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000111304116 407406572 /nfs/dbraw/zinc/40/65/72/407406572.db2.gz FIEHOVSTMHHCPZ-MRVPVSSYSA-N 1 0 307.759 1.264 20 5 DDBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)NC2CCOCC2)cc1[N+](=O)[O-] ZINC000181832384 306700405 /nfs/dbraw/zinc/70/04/05/306700405.db2.gz ZODLZTVYKHNTOE-LBPRGKRZSA-N 1 0 321.377 1.849 20 5 DDBDRO C[NH2+]CCCN(C)S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000127102371 407427793 /nfs/dbraw/zinc/42/77/93/407427793.db2.gz ZAPWDMVPHLZKPT-UHFFFAOYSA-N 1 0 315.395 1.442 20 5 DDBDRO CC[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000112925420 407447790 /nfs/dbraw/zinc/44/77/90/407447790.db2.gz NSBHRICORPPKQL-UHFFFAOYSA-N 1 0 324.337 1.801 20 5 DDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@](C)(C[NH3+])C1 ZINC000261674113 407574239 /nfs/dbraw/zinc/57/42/39/407574239.db2.gz JHVASLIZNCZIAG-IAQYHMDHSA-N 1 0 306.366 1.593 20 5 DDBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2[nH]nc(C)c2[N+](=O)[O-])[C@H](C)C1 ZINC000266111905 407530503 /nfs/dbraw/zinc/53/05/03/407530503.db2.gz VGVKNXXJQLGLJW-KOLCDFICSA-N 1 0 309.370 1.429 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170873784 407541807 /nfs/dbraw/zinc/54/18/07/407541807.db2.gz MXRDENORYNRMKN-GFCCVEGCSA-N 1 0 313.379 1.228 20 5 DDBDRO COc1cc(C(=O)NC[C@H](C)[N@H+](C)C2CC2)ccc1[N+](=O)[O-] ZINC000171104461 407597842 /nfs/dbraw/zinc/59/78/42/407597842.db2.gz CFRIQMDDWBTZLV-JTQLQIEISA-N 1 0 307.350 1.816 20 5 DDBDRO C[C@H]([NH3+])C1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000178819762 407614946 /nfs/dbraw/zinc/61/49/46/407614946.db2.gz FAZQKYSHUCVHOI-NSHDSACASA-N 1 0 307.350 1.559 20 5 DDBDRO C[C@H]([NH3+])C1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000178845787 407625408 /nfs/dbraw/zinc/62/54/08/407625408.db2.gz MVLADNQKNIIOCH-NSHDSACASA-N 1 0 306.366 1.593 20 5 DDBDRO [NH3+]C1(c2noc(CCNc3ccccc3[N+](=O)[O-])n2)CCC1 ZINC000261822378 407628854 /nfs/dbraw/zinc/62/88/54/407628854.db2.gz QODODWOBFHDBSG-UHFFFAOYSA-N 1 0 303.322 1.970 20 5 DDBDRO CCCN(C(=O)COc1cccc([N+](=O)[O-])c1)[C@H]1CC[NH2+]C1 ZINC000178882215 407639176 /nfs/dbraw/zinc/63/91/76/407639176.db2.gz DRERGPPUJCSMET-ZDUSSCGKSA-N 1 0 307.350 1.574 20 5 DDBDRO C[NH2+][C@H]1CCCN(CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000261733945 407596164 /nfs/dbraw/zinc/59/61/64/407596164.db2.gz JVCVZSSLAJVDIR-ZDUSSCGKSA-N 1 0 320.393 1.916 20 5 DDBDRO CCc1n[nH]c(C(=O)N2CCC[C@H]2C[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000171665967 407735502 /nfs/dbraw/zinc/73/55/02/407735502.db2.gz ARXZETMKNIRIDY-NSHDSACASA-N 1 0 321.381 1.581 20 5 DDBDRO CC(C)C[C@](C)(C[NH3+])NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000236683704 407749541 /nfs/dbraw/zinc/74/95/41/407749541.db2.gz KDMOOQSTLIZNDX-OAHLLOKOSA-N 1 0 309.366 1.853 20 5 DDBDRO C[N@@H+]1CCC[C@@H](CNC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000153195447 407776733 /nfs/dbraw/zinc/77/67/33/407776733.db2.gz XBZSQMVLVPEEKY-AWEZNQCLSA-N 1 0 305.378 1.985 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCSC3(CCOCC3)C2)c1 ZINC000186837528 407781575 /nfs/dbraw/zinc/78/15/75/407781575.db2.gz SWWWZSVTJKUCSY-UHFFFAOYSA-N 1 0 312.395 1.389 20 5 DDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H](C)C[NH2+]C ZINC000236983240 407785463 /nfs/dbraw/zinc/78/54/63/407785463.db2.gz KYVHKYOYQGBBHT-JTQLQIEISA-N 1 0 315.395 1.291 20 5 DDBDRO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000237967217 407858145 /nfs/dbraw/zinc/85/81/45/407858145.db2.gz BPUBVGYFEJBYDB-ULKQDVFKSA-N 1 0 315.333 1.484 20 5 DDBDRO [NH3+]CC1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000238034263 407873060 /nfs/dbraw/zinc/87/30/60/407873060.db2.gz QTXXAUJULPWIRD-UHFFFAOYSA-N 1 0 308.294 1.314 20 5 DDBDRO [NH3+]C[C@@H]1CCCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000238083525 407887226 /nfs/dbraw/zinc/88/72/26/407887226.db2.gz FQUHQKYKKMEDMO-VIFPVBQESA-N 1 0 303.322 1.282 20 5 DDBDRO O=C(NCCNc1ccc([N+](=O)[O-])cc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000238130981 407893967 /nfs/dbraw/zinc/89/39/67/407893967.db2.gz YDPDCAAKOIFKLP-AWEZNQCLSA-N 1 0 318.377 1.513 20 5 DDBDRO O=C(CC[N@@H+]1CCc2n[nH]cc2C1)Nc1ccccc1[N+](=O)[O-] ZINC000118854337 407952848 /nfs/dbraw/zinc/95/28/48/407952848.db2.gz OSZCPDBHFAVUDL-UHFFFAOYSA-N 1 0 315.333 1.705 20 5 DDBDRO CCCc1n[nH]c(C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000268245210 407967111 /nfs/dbraw/zinc/96/71/11/407967111.db2.gz VYBAKZSZCWKZTC-BXKDBHETSA-N 1 0 321.381 1.483 20 5 DDBDRO COc1cc(OCC(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000262920797 407968822 /nfs/dbraw/zinc/96/88/22/407968822.db2.gz ZHQPLIUYPOLVMH-CMPLNLGQSA-N 1 0 323.349 1.096 20 5 DDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000262771289 407922385 /nfs/dbraw/zinc/92/23/85/407922385.db2.gz MDRUPCWAHUQULO-ONGXEEELSA-N 1 0 313.379 1.180 20 5 DDBDRO CNC(=O)CC1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000175004656 408028235 /nfs/dbraw/zinc/02/82/35/408028235.db2.gz LKSKPFHDUWGQQC-UHFFFAOYSA-N 1 0 321.377 1.822 20 5 DDBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CC[NH2+]C1 ZINC000273038522 408030335 /nfs/dbraw/zinc/03/03/35/408030335.db2.gz OKYTXWCYBOADJB-GHMZBOCLSA-N 1 0 309.391 1.801 20 5 DDBDRO COC(=O)CNC(=O)CC[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181823068 408043063 /nfs/dbraw/zinc/04/30/63/408043063.db2.gz LROSNFXTEBSZBN-LLVKDONJSA-N 1 0 323.349 1.233 20 5 DDBDRO CC[NH+](CC)[C@H](C)CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000181878540 408046626 /nfs/dbraw/zinc/04/66/26/408046626.db2.gz IXZGDTWQEDETCB-SNVBAGLBSA-N 1 0 323.349 1.784 20 5 DDBDRO C[NH+](C)C(C)(C)CNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000272586821 407994452 /nfs/dbraw/zinc/99/44/52/407994452.db2.gz SLWUNNLMFYTGLT-UHFFFAOYSA-N 1 0 323.378 1.670 20 5 DDBDRO C[N@@H+]1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C(C)(C)C1 ZINC000273098088 408056540 /nfs/dbraw/zinc/05/65/40/408056540.db2.gz DQGGPJRCOLHZJQ-CYBMUJFWSA-N 1 0 323.393 1.361 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000154863179 408097544 /nfs/dbraw/zinc/09/75/44/408097544.db2.gz MPIRBIBVYGPGJR-STQMWFEESA-N 1 0 321.381 1.042 20 5 DDBDRO C[N@@H+](Cc1cccnc1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182250996 408106189 /nfs/dbraw/zinc/10/61/89/408106189.db2.gz VKRYPAIRIDIRFO-AWEZNQCLSA-N 1 0 317.345 1.862 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)CN2CC[NH+](CC3CC3)CC2)c1 ZINC000136963085 408131195 /nfs/dbraw/zinc/13/11/95/408131195.db2.gz MNJPXUZJHGSNNH-MRXNPFEDSA-N 1 0 305.378 1.656 20 5 DDBDRO COC[C@@H]1CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000273339201 408157924 /nfs/dbraw/zinc/15/79/24/408157924.db2.gz NIMCEMDYUYQEKH-OLZOCXBDSA-N 1 0 310.350 1.303 20 5 DDBDRO CCOCC[N@H+](CC)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273346896 408163385 /nfs/dbraw/zinc/16/33/85/408163385.db2.gz OROZCSRQEZFXAE-CYBMUJFWSA-N 1 0 312.366 1.693 20 5 DDBDRO C[C@H]1CN(C(C)(C)CNc2c([N+](=O)[O-])ncn2C)C[C@H](C)O1 ZINC000140404260 408176280 /nfs/dbraw/zinc/17/62/80/408176280.db2.gz XYBBPFQOUZZIHP-QWRGUYRKSA-N 1 0 311.386 1.628 20 5 DDBDRO CC(C)[N@H+](C)CCNS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000155600730 408187670 /nfs/dbraw/zinc/18/76/70/408187670.db2.gz USXGFZMXALEVJX-UHFFFAOYSA-N 1 0 315.395 1.354 20 5 DDBDRO C[C@H]1CSCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000190451036 408247907 /nfs/dbraw/zinc/24/79/07/408247907.db2.gz QSXMNISTQQEOBK-SNVBAGLBSA-N 1 0 309.391 1.879 20 5 DDBDRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000269284684 408252804 /nfs/dbraw/zinc/25/28/04/408252804.db2.gz MXPBYTSBNKWDRY-KBPBESRZSA-N 1 0 305.334 1.657 20 5 DDBDRO C[C@H](NC(=O)c1[nH]ncc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182822312 408258271 /nfs/dbraw/zinc/25/82/71/408258271.db2.gz PLXJOWNWGVAQCV-WDEREUQCSA-N 1 0 321.381 1.701 20 5 DDBDRO CCc1n[nH]c(C(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000263666835 408198563 /nfs/dbraw/zinc/19/85/63/408198563.db2.gz LCJKLHUCUXTDBR-QWRGUYRKSA-N 1 0 323.397 1.731 20 5 DDBDRO COCCCOC1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176261921 408326688 /nfs/dbraw/zinc/32/66/88/408326688.db2.gz SFTKEIITASPLKS-UHFFFAOYSA-N 1 0 312.370 1.309 20 5 DDBDRO CC[NH2+]CCNC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000151349835 408299004 /nfs/dbraw/zinc/29/90/04/408299004.db2.gz OOPLEPNAPPZPLZ-UHFFFAOYSA-N 1 0 313.379 1.665 20 5 DDBDRO O=[N+]([O-])c1ccc(-c2nccn2CC2(O)CCOCC2)cc1 ZINC000269422843 408303745 /nfs/dbraw/zinc/30/37/45/408303745.db2.gz ZRFHFYHHODFMIK-UHFFFAOYSA-N 1 0 303.318 2.000 20 5 DDBDRO C[C@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@H]1CCCO1 ZINC000183142315 408335089 /nfs/dbraw/zinc/33/50/89/408335089.db2.gz HWPRLAGSQXNNNQ-XHDPSFHLSA-N 1 0 319.361 1.641 20 5 DDBDRO CC(C)NC(=O)c1ccc(N2CC[C@@H]([NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000263987667 408336502 /nfs/dbraw/zinc/33/65/02/408336502.db2.gz FFSISHHUADUYGU-CYBMUJFWSA-N 1 0 320.393 1.873 20 5 DDBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C1(CO)CCOCC1 ZINC000191028475 408360933 /nfs/dbraw/zinc/36/09/33/408360933.db2.gz VMBBTYYNGPJCPX-UHFFFAOYSA-N 1 0 310.350 1.447 20 5 DDBDRO NC(=O)c1ccc(CN2CC[C@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000170744629 162190919 /nfs/dbraw/zinc/19/09/19/162190919.db2.gz YIZACUORYGYLSK-AWEZNQCLSA-N 1 0 318.377 1.364 20 5 DDBDRO COc1ccc(OCC[N@@H+]2CCC[C@@H](CO)C2)c([N+](=O)[O-])c1 ZINC000173495181 162342967 /nfs/dbraw/zinc/34/29/67/162342967.db2.gz FTUSMSKCRPNSEQ-GFCCVEGCSA-N 1 0 310.350 1.687 20 5 DDBDRO COC[C@@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1CC1 ZINC000183431752 408410859 /nfs/dbraw/zinc/41/08/59/408410859.db2.gz UJJNRZJSSCBYRA-CQSZACIVSA-N 1 0 319.361 1.499 20 5 DDBDRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000183560074 408440411 /nfs/dbraw/zinc/44/04/11/408440411.db2.gz ZSKUBMASTYDLDP-CYBMUJFWSA-N 1 0 307.354 1.794 20 5 DDBDRO C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000270045769 408480942 /nfs/dbraw/zinc/48/09/42/408480942.db2.gz BLNUWMBCSQLXOE-AOOOYVTPSA-N 1 0 317.349 1.636 20 5 DDBDRO O=C(Cc1ccccc1[N+](=O)[O-])NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160577996 408499506 /nfs/dbraw/zinc/49/95/06/408499506.db2.gz JGELIFMJUDPDGO-CQSZACIVSA-N 1 0 321.377 1.100 20 5 DDBDRO C[C@@H](C[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O)c1nccs1 ZINC000183927718 408509485 /nfs/dbraw/zinc/50/94/85/408509485.db2.gz LMFATYZBRXUZCH-NSHDSACASA-N 1 0 322.390 1.949 20 5 DDBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000176887713 408466919 /nfs/dbraw/zinc/46/69/19/408466919.db2.gz LXHRLIWKNUWSKV-LLVKDONJSA-N 1 0 324.381 1.264 20 5 DDBDRO CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)CC(N)=O ZINC000191705759 408472136 /nfs/dbraw/zinc/47/21/36/408472136.db2.gz DKLXJJILJAMWGX-UHFFFAOYSA-N 1 0 308.338 1.039 20 5 DDBDRO CN(C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)[C@H]1CC[NH2+]C1 ZINC000179091500 162711311 /nfs/dbraw/zinc/71/13/11/162711311.db2.gz KFFPFAOJMZYDLK-ZDUSSCGKSA-N 1 0 315.333 1.214 20 5 DDBDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000177584724 408662995 /nfs/dbraw/zinc/66/29/95/408662995.db2.gz FBANVWHJCYUWRR-NWDGAFQWSA-N 1 0 309.370 1.170 20 5 DDBDRO C[C@@H]1CCC[C@](CNC(=O)Cn2cc([N+](=O)[O-])cn2)([NH+](C)C)C1 ZINC000193675708 408738230 /nfs/dbraw/zinc/73/82/30/408738230.db2.gz UXYFPKYBNSMFJM-DOMZBBRYSA-N 1 0 323.397 1.418 20 5 DDBDRO CO[C@@H]1C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC[C@@H]1C ZINC000251655659 408783543 /nfs/dbraw/zinc/78/35/43/408783543.db2.gz HTRFWMIFWMOBLC-HEHGZKQESA-N 1 0 324.377 1.691 20 5 DDBDRO [NH3+][C@H]1CC[C@@H]2CN(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)C[C@@H]12 ZINC000185175282 408775302 /nfs/dbraw/zinc/77/53/02/408775302.db2.gz FATGAQQORKBKSC-XVWHNYFWSA-N 1 0 301.346 1.804 20 5 DDBDRO C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])cc3F)[C@@H]2C1 ZINC000285924742 408889553 /nfs/dbraw/zinc/88/95/53/408889553.db2.gz UPXWZPNTQUWKED-KGLIPLIRSA-N 1 0 323.324 1.279 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000277362746 408926836 /nfs/dbraw/zinc/92/68/36/408926836.db2.gz CJCZBOOHZVEHTQ-GFCCVEGCSA-N 1 0 307.350 1.770 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CCC[NH2+]CC1 ZINC000226461980 163336130 /nfs/dbraw/zinc/33/61/30/163336130.db2.gz ABVFVMUAKCDPOH-NSHDSACASA-N 1 0 313.379 1.324 20 5 DDBDRO CCOCC[C@H](O)C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000277499295 408951761 /nfs/dbraw/zinc/95/17/61/408951761.db2.gz MGUYGYZACUAQEI-INIZCTEOSA-N 1 0 323.393 1.504 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@H]1CCCC12CCOCC2 ZINC000282168298 409004130 /nfs/dbraw/zinc/00/41/30/409004130.db2.gz UXYCJENIAURAQC-AWEZNQCLSA-N 1 0 321.377 1.695 20 5 DDBDRO C[C@H]1C[N@H+](CCCNc2ncc([N+](=O)[O-])s2)CCCO1 ZINC000281999007 408968872 /nfs/dbraw/zinc/96/88/72/408968872.db2.gz UDJBOBYHJDLXBC-JTQLQIEISA-N 1 0 300.384 1.964 20 5 DDBDRO C[N@@H+]1CC[C@@]2(CCN(C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)C1 ZINC000292078772 408975473 /nfs/dbraw/zinc/97/54/73/408975473.db2.gz FLJCKMZLTQYALI-HZPDHXFCSA-N 1 0 305.378 1.656 20 5 DDBDRO CN(CCC[NH+]1CCCC1)C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000282073366 408985963 /nfs/dbraw/zinc/98/59/63/408985963.db2.gz WZLKOANFGTYGHI-UHFFFAOYSA-N 1 0 307.354 1.939 20 5 DDBDRO COc1ccc(CN2CC[N@H+](C[C@H](C)O)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000282209813 409011520 /nfs/dbraw/zinc/01/15/20/409011520.db2.gz XWAPLHJJVKLTEZ-STQMWFEESA-N 1 0 323.393 1.490 20 5 DDBDRO CCOc1cc(C[NH2+][C@H]2C(=O)NCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000282308546 409031611 /nfs/dbraw/zinc/03/16/11/409031611.db2.gz KGNFGUIPEMCJKM-QMTHXVAHSA-N 1 0 307.350 1.608 20 5 DDBDRO CC(C)(CO)[C@@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000293143476 409058134 /nfs/dbraw/zinc/05/81/34/409058134.db2.gz TVVKBJPDPABXRG-HNNXBMFYSA-N 1 0 321.377 1.920 20 5 DDBDRO COC(=O)c1cc(C)nc(NCC[N@H+]2CC=CCC2)c1[N+](=O)[O-] ZINC000287850315 409103561 /nfs/dbraw/zinc/10/35/61/409103561.db2.gz RZGZFUFTDOIBIK-UHFFFAOYSA-N 1 0 320.349 1.759 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCC23CCC[NH+]2CCC3)n1 ZINC000287929686 409117909 /nfs/dbraw/zinc/11/79/09/409117909.db2.gz XCPBHDUAXBBNGF-UHFFFAOYSA-N 1 0 320.349 1.817 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000293503895 409126035 /nfs/dbraw/zinc/12/60/35/409126035.db2.gz SQWNLWLMQQCBOA-GXFFZTMASA-N 1 0 323.324 1.323 20 5 DDBDRO COC[C@@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)[C@@H]1CCCO1 ZINC000279091238 409147245 /nfs/dbraw/zinc/14/72/45/409147245.db2.gz PIGBTSGQRFHKNK-CABCVRRESA-N 1 0 310.350 1.757 20 5 DDBDRO C[N@@H+]1CC[C@]2(CCN(C(=O)c3cc([N+](=O)[O-])ccc3N)C2)C1 ZINC000294008164 409224357 /nfs/dbraw/zinc/22/43/57/409224357.db2.gz XXFULAHAMASZFU-HNNXBMFYSA-N 1 0 304.350 1.345 20 5 DDBDRO CN(CCN1CCOC(C)(C)C1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000279376605 409202985 /nfs/dbraw/zinc/20/29/85/409202985.db2.gz TXNHOXVJGJSEHI-UHFFFAOYSA-N 1 0 321.377 1.778 20 5 DDBDRO Cc1cc(OCC(=O)NCCC[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000280466873 409317729 /nfs/dbraw/zinc/31/77/29/409317729.db2.gz XYLRZZSZYLTGMS-UHFFFAOYSA-N 1 0 321.377 1.884 20 5 DDBDRO O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)c1ccc([N+](=O)[O-])cc1 ZINC000295502652 409320834 /nfs/dbraw/zinc/32/08/34/409320834.db2.gz PIEMXRPWXIXDQC-CYBMUJFWSA-N 1 0 307.350 1.171 20 5 DDBDRO CC[C@@H](C)[NH+]1CCN(c2ccc(C(=O)NC)cc2[N+](=O)[O-])CC1 ZINC000296006796 409398685 /nfs/dbraw/zinc/39/86/85/409398685.db2.gz NEQIUIFCMUETLR-GFCCVEGCSA-N 1 0 320.393 1.875 20 5 DDBDRO NC(=O)c1ccnc(N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000290448211 409406522 /nfs/dbraw/zinc/40/65/22/409406522.db2.gz CWCJKQDCJIMTLG-MNOVXSKESA-N 1 0 305.338 1.127 20 5 DDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000317075301 164025284 /nfs/dbraw/zinc/02/52/84/164025284.db2.gz ZCOPUBFPRKJFTO-QWRGUYRKSA-N 1 0 304.350 1.534 20 5 DDBDRO O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000320789366 164043267 /nfs/dbraw/zinc/04/32/67/164043267.db2.gz YTTQOWBVXJXLET-SDCXRFKSSA-N 1 0 301.346 1.818 20 5 DDBDRO COc1ccc([C@@H](C)[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000321307689 164043534 /nfs/dbraw/zinc/04/35/34/164043534.db2.gz WGNDFCCWVXDAFU-RISCZKNCSA-N 1 0 320.349 1.512 20 5 DDBDRO C[C@@H]1[C@H](C)N(CC(=O)Nc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000357033728 164136822 /nfs/dbraw/zinc/13/68/22/164136822.db2.gz IAPOWWFQHOFVHW-NEPJUHHUSA-N 1 0 306.366 1.558 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCC[NH+]2CCCC2)c1 ZINC000357567552 164141312 /nfs/dbraw/zinc/14/13/12/164141312.db2.gz DRGPSVSRLXDAAU-UHFFFAOYSA-N 1 0 321.377 1.884 20 5 DDBDRO Cc1n[nH]c(C(=O)N[C@@H](C)C[NH+]2CCCCCC2)c1[N+](=O)[O-] ZINC000331466218 409540479 /nfs/dbraw/zinc/54/04/79/409540479.db2.gz HKBDDZUVOVDWRM-JTQLQIEISA-N 1 0 309.370 1.621 20 5 DDBDRO CC(C)[C@H]1CCC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000304315509 409601546 /nfs/dbraw/zinc/60/15/46/409601546.db2.gz OEGKCHNRGHITIU-DZGCQCFKSA-N 1 0 310.398 1.910 20 5 DDBDRO Cc1nc(N2CC[NH+](CC3CCOCC3)CC2)ncc1[N+](=O)[O-] ZINC000296928878 409708818 /nfs/dbraw/zinc/70/88/18/409708818.db2.gz BAFMJHXYPBDFCE-UHFFFAOYSA-N 1 0 321.381 1.242 20 5 DDBDRO CC[C@@H](C)[NH+]1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000296841912 409663836 /nfs/dbraw/zinc/66/38/36/409663836.db2.gz HASPOACGLAGTJJ-CYBMUJFWSA-N 1 0 321.377 1.916 20 5 DDBDRO CC(C)[N@H+]1C[C@H](Nc2cccc(C(N)=O)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000342558956 409722993 /nfs/dbraw/zinc/72/29/93/409722993.db2.gz DSUYZFLCFPZAEQ-GWCFXTLKSA-N 1 0 306.366 1.834 20 5 DDBDRO COc1cc(C(=O)NCC2([NH3+])CCC2)cc([N+](=O)[O-])c1OC ZINC000342601727 409756183 /nfs/dbraw/zinc/75/61/83/409756183.db2.gz XRROTKXYIADFJI-UHFFFAOYSA-N 1 0 309.322 1.223 20 5 DDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000332028734 409817264 /nfs/dbraw/zinc/81/72/64/409817264.db2.gz HUPLBMUBCXJNJY-HUUCEWRRSA-N 1 0 303.362 1.880 20 5 DDBDRO CC[N@@H+]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000357159512 409910989 /nfs/dbraw/zinc/91/09/89/409910989.db2.gz LEWDVUHQPQHWAF-UHFFFAOYSA-N 1 0 309.341 1.831 20 5 DDBDRO Cc1n[nH]c(C(=O)N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000346244098 409871359 /nfs/dbraw/zinc/87/13/59/409871359.db2.gz UNHIFFSBEGBRHS-CKYFFXLPSA-N 1 0 321.381 1.429 20 5 DDBDRO Cc1n[nH]c(C(=O)NCc2ccccc2C[NH+](C)C)c1[N+](=O)[O-] ZINC000342854200 409947900 /nfs/dbraw/zinc/94/79/00/409947900.db2.gz ZNADSRPJPZGWCZ-UHFFFAOYSA-N 1 0 317.349 1.618 20 5 DDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCC[NH+](C)C ZINC000298300626 410171577 /nfs/dbraw/zinc/17/15/77/410171577.db2.gz KKJABVJLNWKLGU-UHFFFAOYSA-N 1 0 301.368 1.133 20 5 DDBDRO COc1ccc(NC(=O)CC[N@@H+]2C[C@@H](C)[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC000351826459 410267255 /nfs/dbraw/zinc/26/72/55/410267255.db2.gz KBFVHADWRBKBPM-YGRLFVJLSA-N 1 0 323.349 1.245 20 5 DDBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC[N@H+](C)CC1 ZINC000298628178 410321125 /nfs/dbraw/zinc/32/11/25/410321125.db2.gz GUCYLDYTFBQEOG-LBPRGKRZSA-N 1 0 306.366 1.559 20 5 DDBDRO Cc1c(NC(=O)CC[N@@H+]2C[C@H](O)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000351934580 410350757 /nfs/dbraw/zinc/35/07/57/410350757.db2.gz IMWYPIVTIAYWBR-HZMBPMFUSA-N 1 0 307.350 1.544 20 5 DDBDRO C[C@H]([NH3+])[C@@H]1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000351854862 410293965 /nfs/dbraw/zinc/29/39/65/410293965.db2.gz SADPEAIPIWQGCL-CMPLNLGQSA-N 1 0 317.349 1.814 20 5 DDBDRO C[C@H]([NH3+])[C@@H]1CCN([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000351858607 410296564 /nfs/dbraw/zinc/29/65/64/410296564.db2.gz BDDYDUFPIKHDRH-SDDRHHMPSA-N 1 0 306.366 1.591 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@H]2c2cccnc2)c1 ZINC000346999098 410298827 /nfs/dbraw/zinc/29/88/27/410298827.db2.gz PCXYUSDBCOKDFI-CABCVRRESA-N 1 0 317.349 1.384 20 5 DDBDRO CCc1ccc(C(=O)NC[C@](C)(O)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000352110375 410487210 /nfs/dbraw/zinc/48/72/10/410487210.db2.gz BSGLUTASBFUULU-MRXNPFEDSA-N 1 0 323.393 1.590 20 5 DDBDRO CC[N@H+](CCO)CCNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000347256273 410424914 /nfs/dbraw/zinc/42/49/14/410424914.db2.gz IREHYABOFAFXTO-UHFFFAOYSA-N 1 0 314.317 1.170 20 5 DDBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)Nc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000299079980 410511683 /nfs/dbraw/zinc/51/16/83/410511683.db2.gz HAPSXFFRIPEXDP-QWRGUYRKSA-N 1 0 321.381 1.621 20 5 DDBDRO Cc1cccc(C(=O)NCC2(O)CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000343553064 410527019 /nfs/dbraw/zinc/52/70/19/410527019.db2.gz XGGFAENLZJLKFT-UHFFFAOYSA-N 1 0 307.350 1.090 20 5 DDBDRO CC[N@@H+]1CCC[C@H]1CNc1ncnc2cccc([N+](=O)[O-])c21 ZINC000347438914 410545832 /nfs/dbraw/zinc/54/58/32/410545832.db2.gz WXJXEDILFBPVLY-NSHDSACASA-N 1 0 301.350 2.434 20 5 DDBDRO CNC(=O)c1ccc(N[C@H]2CCC[N@H+](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000343596266 410561350 /nfs/dbraw/zinc/56/13/50/410561350.db2.gz GVJTXWZAQRMWTG-JQWIXIFHSA-N 1 0 306.366 1.849 20 5 DDBDRO Nc1nc(N2CCC(C[NH+]3CCCC3)CC2)ncc1[N+](=O)[O-] ZINC000301172669 410669210 /nfs/dbraw/zinc/66/92/10/410669210.db2.gz VFZQDNYCIDDYGL-UHFFFAOYSA-N 1 0 306.370 1.279 20 5 DDBDRO CC(C)(C(=O)NCC[NH+]1CCCCC1)n1cc([N+](=O)[O-])cn1 ZINC000330440902 410692778 /nfs/dbraw/zinc/69/27/78/410692778.db2.gz OXFSPHIRTLXGAY-UHFFFAOYSA-N 1 0 309.370 1.129 20 5 DDBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@]1([NH+](C)C)CCSC1 ZINC000359545863 410722653 /nfs/dbraw/zinc/72/26/53/410722653.db2.gz KAQQHOYAGOARGS-CYBMUJFWSA-N 1 0 313.427 1.969 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@@H]2CCCC[C@H]2OC(F)F)n1 ZINC000337403908 410758723 /nfs/dbraw/zinc/75/87/23/410758723.db2.gz KYHMKVJBZUVHEM-NXEZZACHSA-N 1 0 304.297 1.931 20 5 DDBDRO Cc1nc(N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)ccc1[N+](=O)[O-] ZINC000301646819 410764072 /nfs/dbraw/zinc/76/40/72/410764072.db2.gz IDUCGJGORMAGMD-CQSZACIVSA-N 1 0 319.409 1.514 20 5 DDBDRO Cc1c(NC(=O)CC[N@@H+](C)[C@@H]2CCNC2=O)cccc1[N+](=O)[O-] ZINC000340224262 410770289 /nfs/dbraw/zinc/77/02/89/410770289.db2.gz ZCBLSISZOAKEQP-CYBMUJFWSA-N 1 0 320.349 1.052 20 5 DDBDRO C[C@H](CNC(=O)c1nn(C)cc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC000330560760 410778304 /nfs/dbraw/zinc/77/83/04/410778304.db2.gz HVPLTSJTTGJUNV-GHMZBOCLSA-N 1 0 309.370 1.179 20 5 DDBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000330586576 410802276 /nfs/dbraw/zinc/80/22/76/410802276.db2.gz LSOFUORHDRJYCT-QWHCGFSZSA-N 1 0 320.393 1.582 20 5 DDBDRO CN(C(=O)Cc1ccc([N+](=O)[O-])cc1)[C@@H]1C[NH+]2CCC1CC2 ZINC000347949429 410812523 /nfs/dbraw/zinc/81/25/23/410812523.db2.gz NFBDUQSPYGCLRN-OAHLLOKOSA-N 1 0 303.362 1.690 20 5 DDBDRO COC(=O)COc1ccc(C[NH2+]C[C@H](C)OC)cc1[N+](=O)[O-] ZINC000353194455 410843041 /nfs/dbraw/zinc/84/30/41/410843041.db2.gz SBURPCXPBJBRSD-JTQLQIEISA-N 1 0 312.322 1.271 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC[N@@H+](C)CC1 ZINC000340309529 410845758 /nfs/dbraw/zinc/84/57/58/410845758.db2.gz PEHHDWIRJQPZJY-UHFFFAOYSA-N 1 0 306.366 1.479 20 5 DDBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])nn1C)[N@@H+]1CCCC[C@H]1C ZINC000356149518 410864235 /nfs/dbraw/zinc/86/42/35/410864235.db2.gz HCCQAEIFKJKYQX-MNOVXSKESA-N 1 0 309.370 1.321 20 5 DDBDRO CO[C@H](C)C[N@H+](C)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000353236582 410870893 /nfs/dbraw/zinc/87/08/93/410870893.db2.gz SWFCGUJCGKVMOR-BXUZGUMPSA-N 1 0 307.350 1.667 20 5 DDBDRO CC[NH+](CC)C[C@@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000359997184 410989287 /nfs/dbraw/zinc/98/92/87/410989287.db2.gz ZQRDSJHJFYLBGY-LLVKDONJSA-N 1 0 315.395 1.603 20 5 DDBDRO C[C@@H](CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)C[NH+](C)C ZINC000341329308 411005271 /nfs/dbraw/zinc/00/52/71/411005271.db2.gz PGFWYOYIQXWFSC-VIFPVBQESA-N 1 0 315.320 1.729 20 5 DDBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1cc([N+](=O)[O-])nn1C ZINC000356465707 411045554 /nfs/dbraw/zinc/04/55/54/411045554.db2.gz YVFLXXRTUGBDRT-QWRGUYRKSA-N 1 0 309.370 1.179 20 5 DDBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1cc([N+](=O)[O-])nn1C ZINC000356465703 411046672 /nfs/dbraw/zinc/04/66/72/411046672.db2.gz YVFLXXRTUGBDRT-GHMZBOCLSA-N 1 0 309.370 1.179 20 5 DDBDRO Cc1ccc(C(C)(C)[NH2+]CCn2cc([N+](=O)[O-])ccc2=O)cn1 ZINC000353569778 411067667 /nfs/dbraw/zinc/06/76/67/411067667.db2.gz MEBHUCSKLONJBQ-UHFFFAOYSA-N 1 0 316.361 1.985 20 5 DDBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H](CO)C1CC1 ZINC000353486757 411022827 /nfs/dbraw/zinc/02/28/27/411022827.db2.gz YUXIRQTWEHESFD-DGCLKSJQSA-N 1 0 321.377 1.920 20 5 DDBDRO Cc1nn(CCC(=O)Nc2ccc(C[NH3+])cc2)c(C)c1[N+](=O)[O-] ZINC000131478779 196172870 /nfs/dbraw/zinc/17/28/70/196172870.db2.gz MFTJASZNMDHETC-UHFFFAOYSA-N 1 0 317.349 1.896 20 5 DDBDRO C[NH2+][C@@H]1CCCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000133886354 196342471 /nfs/dbraw/zinc/34/24/71/196342471.db2.gz MDAVPOOLKMYVDF-LLVKDONJSA-N 1 0 309.391 1.897 20 5 DDBDRO Cc1ccccc1CC[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000295605248 225037869 /nfs/dbraw/zinc/03/78/69/225037869.db2.gz CQTCVBIBTKZOES-INIZCTEOSA-N 1 0 318.377 1.635 20 5 DDBDRO C[C@H](NC(=O)N[C@H]1CC[NH2+]C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000417147128 225224299 /nfs/dbraw/zinc/22/42/99/225224299.db2.gz ZDMRDFHCDXLNAD-SUNKGSAMSA-N 1 0 306.366 1.953 20 5 DDBDRO [NH3+][C@@H]1CCCN(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000418083804 225575505 /nfs/dbraw/zinc/57/55/05/225575505.db2.gz NJJACLBYZDPXPQ-SECBINFHSA-N 1 0 318.337 1.104 20 5 DDBDRO O=C(N[C@H]1CCC[NH2+]C1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000418382596 225710052 /nfs/dbraw/zinc/71/00/52/225710052.db2.gz MKSJVPPWHMCFIQ-ZDUSSCGKSA-N 1 0 304.350 1.415 20 5 DDBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCC(=O)N(C)C1=O ZINC000424310400 533681694 /nfs/dbraw/zinc/68/16/94/533681694.db2.gz CGRHUUVFVZONRO-AAEUAGOBSA-N 1 0 319.361 1.653 20 5 DDBDRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1CCOc1ccccc1[N+](=O)[O-] ZINC000419334997 226122179 /nfs/dbraw/zinc/12/21/79/226122179.db2.gz VYAZMLAXPPUEJS-KBPBESRZSA-N 1 0 323.393 1.361 20 5 DDBDRO O=C([C@H]1C[C@@H]1[N+](=O)[O-])N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000373461923 418431875 /nfs/dbraw/zinc/43/18/75/418431875.db2.gz SIWSWKUMUOWVGP-FZKCQIBNSA-N 1 0 315.373 1.242 20 5 DDBDRO C[NH+](C)CCNc1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC000360593057 418473669 /nfs/dbraw/zinc/47/36/69/418473669.db2.gz AJYPNABKXLVODE-UHFFFAOYSA-N 1 0 316.361 2.542 20 5 DDBDRO C[N@@H+]1CC[C@@H](CNc2ncc([N+](=O)[O-])s2)[C@@H]1c1cccnc1 ZINC000367157907 418565636 /nfs/dbraw/zinc/56/56/36/418565636.db2.gz GAKWQVOPMXQYJA-AAEUAGOBSA-N 1 0 319.390 2.551 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000361113498 418586746 /nfs/dbraw/zinc/58/67/46/418586746.db2.gz YWPVUJRZKSGDJC-LSDHHAIUSA-N 1 0 319.361 1.478 20 5 DDBDRO CNc1c(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000361172488 418597869 /nfs/dbraw/zinc/59/78/69/418597869.db2.gz TVIAVRHVJCOFNO-NSHDSACASA-N 1 0 318.377 1.851 20 5 DDBDRO Nc1ccc(N2CC[C@@H](C[NH+]3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000367363029 418591145 /nfs/dbraw/zinc/59/11/45/418591145.db2.gz KLWLILNFUJFBJG-LBPRGKRZSA-N 1 0 306.366 1.336 20 5 DDBDRO Cc1cc(C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)c([N+](=O)[O-])c(=O)[nH]1 ZINC000375102105 418606111 /nfs/dbraw/zinc/60/61/11/418606111.db2.gz SAUZYTYIJFLUSV-LLVKDONJSA-N 1 0 320.349 1.314 20 5 DDBDRO O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCC1C[NH2+]C1 ZINC000262018348 222270301 /nfs/dbraw/zinc/27/03/01/222270301.db2.gz LQVLBAWFMSPWRV-UHFFFAOYSA-N 1 0 321.380 1.490 20 5 DDBDRO CC1(C)[C@H](O)CC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000361422319 418650724 /nfs/dbraw/zinc/65/07/24/418650724.db2.gz ZRYGHMCAZPLXEI-CYBMUJFWSA-N 1 0 307.350 1.769 20 5 DDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[C@H]([NH2+]Cc2ccccc2)C1 ZINC000361342568 418629981 /nfs/dbraw/zinc/62/99/81/418629981.db2.gz NLRPSRQTIDVRPF-RRFJBIMHSA-N 1 0 303.362 1.432 20 5 DDBDRO CCOC[C@@H](O)C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000361884603 418721884 /nfs/dbraw/zinc/72/18/84/418721884.db2.gz DXHPLBDDJBJOOR-LSDHHAIUSA-N 1 0 308.378 1.903 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CC[C@@H](n3cccn3)C2)c1 ZINC000368269709 418712594 /nfs/dbraw/zinc/71/25/94/418712594.db2.gz NADPGSWZQSMRDC-CABCVRRESA-N 1 0 302.334 1.772 20 5 DDBDRO COc1cc(C[N@H+](CCO)[C@@H]2CCO[C@@H]2C)ccc1[N+](=O)[O-] ZINC000361585428 418686386 /nfs/dbraw/zinc/68/63/86/418686386.db2.gz IIPOHVDRKVSNAG-DGCLKSJQSA-N 1 0 310.350 1.575 20 5 DDBDRO CC[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000361593756 418689217 /nfs/dbraw/zinc/68/92/17/418689217.db2.gz HICVYHGTKJRNPY-UONOGXRCSA-N 1 0 310.350 1.445 20 5 DDBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@]1(CO)CCOC1 ZINC000411511615 418910515 /nfs/dbraw/zinc/91/05/15/418910515.db2.gz ZDUDCGUBPACXBA-OAHLLOKOSA-N 1 0 323.349 1.007 20 5 DDBDRO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000372871600 418910840 /nfs/dbraw/zinc/91/08/40/418910840.db2.gz QSCUGXZZQZQJPX-ZANVPECISA-N 1 0 315.333 1.295 20 5 DDBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)CNc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000372973151 418917848 /nfs/dbraw/zinc/91/78/48/418917848.db2.gz JCTIBSAUMWBMQP-WFASDCNBSA-N 1 0 318.377 1.559 20 5 DDBDRO Cn1cc([C@@H]2CN(Cc3ccc([N+](=O)[O-])cc3F)C[C@H]2[NH3+])cn1 ZINC000424295087 228255863 /nfs/dbraw/zinc/25/58/63/228255863.db2.gz PRIGESVFKYGJNL-DZGCQCFKSA-N 1 0 319.340 1.394 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000425061556 228358173 /nfs/dbraw/zinc/35/81/73/228358173.db2.gz ZNYYTPDDWHRUFS-QWHCGFSZSA-N 1 0 321.381 1.042 20 5 DDBDRO C[C@@H]([NH3+])C1CCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 ZINC000417940623 419402725 /nfs/dbraw/zinc/40/27/25/419402725.db2.gz LZXQDOPVKZRNCG-GFCCVEGCSA-N 1 0 320.393 1.906 20 5 DDBDRO COC(=O)[C@H]1CN(CCc2ccc([N+](=O)[O-])cc2)CC[N@H+](C)C1 ZINC000411915056 419481752 /nfs/dbraw/zinc/48/17/52/419481752.db2.gz YJTQYRONLQBYSL-CQSZACIVSA-N 1 0 321.377 1.174 20 5 DDBDRO CN(CCC(=O)Nc1ccccc1[N+](=O)[O-])C[C@H]1CCC[N@@H+]1C ZINC000420993823 419430414 /nfs/dbraw/zinc/43/04/14/419430414.db2.gz BIGIXAQKSWVWIJ-CYBMUJFWSA-N 1 0 320.393 1.949 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](C(=O)N(C)C)C1 ZINC000411961882 419521635 /nfs/dbraw/zinc/52/16/35/419521635.db2.gz YLYPPLNVIYSGTJ-LBPRGKRZSA-N 1 0 321.377 1.904 20 5 DDBDRO Cn1cc(C[NH2+][C@H]2C[C@@](C)(O)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000418116675 419546721 /nfs/dbraw/zinc/54/67/21/419546721.db2.gz QUQBBWKURGAMER-AKAXFMLLSA-N 1 0 316.361 1.998 20 5 DDBDRO C[NH2+]CCCNC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000418274600 419666884 /nfs/dbraw/zinc/66/68/84/419666884.db2.gz AXQUVQOMIGUHBS-UHFFFAOYSA-N 1 0 308.338 1.108 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000428044613 419800101 /nfs/dbraw/zinc/80/01/01/419800101.db2.gz UNYRWTAGHGSOIQ-TZMCWYRMSA-N 1 0 318.377 1.526 20 5 DDBDRO COc1cc(CNC[C@H]2CCC[NH2+]C2)c([N+](=O)[O-])cc1OC ZINC000414830575 419830928 /nfs/dbraw/zinc/83/09/28/419830928.db2.gz OYHCOGFRFDAJKX-NSHDSACASA-N 1 0 309.366 1.701 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000299292015 229032189 /nfs/dbraw/zinc/03/21/89/229032189.db2.gz KBGVBRQFGPRTBM-GFCCVEGCSA-N 1 0 323.397 1.338 20 5 DDBDRO Cc1[nH]nc(C(=O)Nc2cccc(C[NH+](C)C)c2)c1[N+](=O)[O-] ZINC000299492957 229151947 /nfs/dbraw/zinc/15/19/47/229151947.db2.gz AMHLFFDCARBXMA-UHFFFAOYSA-N 1 0 303.322 1.940 20 5 DDBDRO C[C@@H]1CCCN(C(=O)CCOc2ccccc2[N+](=O)[O-])[C@H]1C[NH3+] ZINC000429140346 419975888 /nfs/dbraw/zinc/97/58/88/419975888.db2.gz GTCNIIKCQLVTHY-OCCSQVGLSA-N 1 0 321.377 1.950 20 5 DDBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCC[NH2+]1 ZINC000423229578 419990333 /nfs/dbraw/zinc/99/03/33/419990333.db2.gz BOQYPDNMVQMQED-YPMHNXCESA-N 1 0 306.366 1.654 20 5 DDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC([NH3+])CC1 ZINC000415262709 420000114 /nfs/dbraw/zinc/00/01/14/420000114.db2.gz GVSALEVYHGLSKN-UHFFFAOYSA-N 1 0 320.349 1.045 20 5 DDBDRO C[NH2+][C@@H]1CCCN(C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000415439650 420065891 /nfs/dbraw/zinc/06/58/91/420065891.db2.gz MZQQEBSOZLXFDG-LLVKDONJSA-N 1 0 308.338 1.819 20 5 DDBDRO C[NH2+][C@@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000415503507 420093473 /nfs/dbraw/zinc/09/34/73/420093473.db2.gz OKALCEBVWVRRMK-SNVBAGLBSA-N 1 0 308.338 1.819 20 5 DDBDRO [NH3+]CC1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000420177399 420142061 /nfs/dbraw/zinc/14/20/61/420142061.db2.gz CFRGKJOMAMOTJU-UHFFFAOYSA-N 1 0 303.322 1.820 20 5 DDBDRO [NH3+]CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])c2cccnc12)C(F)F ZINC000423695982 420131224 /nfs/dbraw/zinc/13/12/24/420131224.db2.gz HLCZUTGZDYKOAV-SNVBAGLBSA-N 1 0 324.287 1.855 20 5 DDBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000430547990 420132824 /nfs/dbraw/zinc/13/28/24/420132824.db2.gz LUCNGJPFOKZMCO-SCRDCRAPSA-N 1 0 318.377 1.748 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@@H]1C[NH3+] ZINC000430574943 420143099 /nfs/dbraw/zinc/14/30/99/420143099.db2.gz PJHVPJYDXAUDMA-CYBMUJFWSA-N 1 0 306.366 1.655 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCCN1CC[NH2+]CC1 ZINC000415477566 420082395 /nfs/dbraw/zinc/08/23/95/420082395.db2.gz BMGPPEKFZOXFBZ-UHFFFAOYSA-N 1 0 321.381 1.238 20 5 DDBDRO CC[C@@H](CO)[NH+]1CCN(Cc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000430225755 420092627 /nfs/dbraw/zinc/09/26/27/420092627.db2.gz MZPIIFKSWBMPHT-AWEZNQCLSA-N 1 0 323.393 1.492 20 5 DDBDRO COC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1OC)[C@H]1CCCO1 ZINC000430228704 420092639 /nfs/dbraw/zinc/09/26/39/420092639.db2.gz DSGJRMCTSCUTRC-ZIAGYGMSSA-N 1 0 310.350 1.887 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H](C(N)=O)CC[C@H]1C ZINC000430226210 420092937 /nfs/dbraw/zinc/09/29/37/420092937.db2.gz MSQGDHJVRYWODF-ZYHUDNBSSA-N 1 0 307.350 1.689 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)[C@H](C)C[NH3+] ZINC000420298272 420189014 /nfs/dbraw/zinc/18/90/14/420189014.db2.gz ZUTYWVCRLGHROK-SNVBAGLBSA-N 1 0 310.354 1.211 20 5 DDBDRO C[NH2+][C@@H](CC(C)(C)C)C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000423831688 420215071 /nfs/dbraw/zinc/21/50/71/420215071.db2.gz WMDNXTCBCWNMEF-AWEZNQCLSA-N 1 0 320.393 1.899 20 5 DDBDRO O=[N+]([O-])c1ccc(-c2noc(NCC[C@@H]3CC[NH2+]C3)n2)cc1 ZINC000420185958 420145298 /nfs/dbraw/zinc/14/52/98/420145298.db2.gz KNKLMRGCLXOYMK-JTQLQIEISA-N 1 0 303.322 2.056 20 5 DDBDRO C[NH2+]C[C@H](C)CNc1c2ccc(OC)cc2ncc1[N+](=O)[O-] ZINC000420212191 420152482 /nfs/dbraw/zinc/15/24/82/420152482.db2.gz TVHPZTVUMQROIK-JTQLQIEISA-N 1 0 304.350 1.841 20 5 DDBDRO O=c1[nH]c(NCC[C@H]2CCC[NH2+]2)nc2ccc([N+](=O)[O-])cc21 ZINC000420236587 420161749 /nfs/dbraw/zinc/16/17/49/420161749.db2.gz KVACVQJSNBBMEA-SECBINFHSA-N 1 0 303.322 1.798 20 5 DDBDRO CCOC(=O)c1cc(N2CC[C@@H]3C[NH2+]C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000420252183 420169159 /nfs/dbraw/zinc/16/91/59/420169159.db2.gz AQLHSCAYVMVFEW-VXGBXAGGSA-N 1 0 319.361 1.817 20 5 DDBDRO COc1ccc(OCCN2CCCC[C@@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000430648327 420170192 /nfs/dbraw/zinc/17/01/92/420170192.db2.gz QWWIAQVYBMKQRS-GFCCVEGCSA-N 1 0 309.366 1.795 20 5 DDBDRO O=C(CN1C[C@H]2CCC[C@@H](C1)[NH2+]2)Nc1ccccc1[N+](=O)[O-] ZINC000420351889 420228465 /nfs/dbraw/zinc/22/84/65/420228465.db2.gz YDAITYKFUJVAPF-TXEJJXNPSA-N 1 0 304.350 1.360 20 5 DDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000420351587 420229342 /nfs/dbraw/zinc/22/93/42/420229342.db2.gz XKMVRXWEUQQSFB-BNOWGMLFSA-N 1 0 318.377 1.748 20 5 DDBDRO C[NH+](C)C[C@@H](O)CN[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433124557 420247122 /nfs/dbraw/zinc/24/71/22/420247122.db2.gz DFUFHWRUKBKWQV-SWLSCSKDSA-N 1 0 307.394 1.829 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000433775381 420254337 /nfs/dbraw/zinc/25/43/37/420254337.db2.gz QUPDZYUWPHOVHM-LLVKDONJSA-N 1 0 321.381 1.750 20 5 DDBDRO C[NH2+]CCCN(C)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000420390878 420257393 /nfs/dbraw/zinc/25/73/93/420257393.db2.gz RMASMKMBIGLLOI-NSHDSACASA-N 1 0 324.381 1.472 20 5 DDBDRO CCc1ccccc1[C@H]([NH3+])CNC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000423938219 420276390 /nfs/dbraw/zinc/27/63/90/420276390.db2.gz ISSIYEGDTGPRBE-LLVKDONJSA-N 1 0 303.322 1.310 20 5 DDBDRO CCOc1ccc(NC(=O)CN(C)C2CC([NH3+])C2)c([N+](=O)[O-])c1 ZINC000420335079 420218182 /nfs/dbraw/zinc/21/81/82/420218182.db2.gz OYSPTYTWRQFFBE-UHFFFAOYSA-N 1 0 322.365 1.354 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC(C)(C)C[NH+](C)C ZINC000416511800 420402361 /nfs/dbraw/zinc/40/23/61/420402361.db2.gz YXCDNWGEWOZPSG-UHFFFAOYSA-N 1 0 315.395 1.522 20 5 DDBDRO C[C@@H]1C[C@@H](C[NH3+])CN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000447246460 230348673 /nfs/dbraw/zinc/34/86/73/230348673.db2.gz OSPVXTODOBEUKQ-SFYZADRCSA-N 1 0 305.381 1.014 20 5 DDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])NCC[C@H]1CC[NH2+]C1 ZINC000417774274 420475428 /nfs/dbraw/zinc/47/54/28/420475428.db2.gz YZWDAXCDAPRDAK-GFCCVEGCSA-N 1 0 306.366 1.436 20 5 DDBDRO C[C@H]1C[C@H](C[NH3+])CN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000442784644 420715236 /nfs/dbraw/zinc/71/52/36/420715236.db2.gz SFDVHKHNJODMRN-WDEREUQCSA-N 1 0 317.349 1.814 20 5 DDBDRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000493316470 420816231 /nfs/dbraw/zinc/81/62/31/420816231.db2.gz HBAYMGHZMFRGEG-ZRIUIHNJSA-N 1 0 307.325 1.861 20 5 DDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](O)COCC1CC1 ZINC000449115947 420953627 /nfs/dbraw/zinc/95/36/27/420953627.db2.gz JIJJHTVDPDBUBT-SWLSCSKDSA-N 1 0 308.378 1.903 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCCS1(=O)=O ZINC000449189794 420966111 /nfs/dbraw/zinc/96/61/11/420966111.db2.gz MUKINCWSOLZKLK-DGCLKSJQSA-N 1 0 312.391 1.693 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1nnnn1CC1CC1 ZINC000449246383 420975332 /nfs/dbraw/zinc/97/53/32/420975332.db2.gz BNLZJYDCSQFPEC-LLVKDONJSA-N 1 0 316.365 1.712 20 5 DDBDRO COc1ccc(C(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000449642977 421042695 /nfs/dbraw/zinc/04/26/95/421042695.db2.gz YKNXWWQMXXOBJC-PWSUYJOCSA-N 1 0 307.350 1.851 20 5 DDBDRO CC1(C)C[NH2+]CC[C@@H]1NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000449699604 421062507 /nfs/dbraw/zinc/06/25/07/421062507.db2.gz RBMTZHNFXBYXOS-ZDUSSCGKSA-N 1 0 306.366 1.511 20 5 DDBDRO C[C@@H]1OCC[C@@]1(C)[NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000494204578 420999376 /nfs/dbraw/zinc/99/93/76/420999376.db2.gz KMCMUZUERLLSOV-HZUKXOBISA-N 1 0 319.361 1.857 20 5 DDBDRO CC[C@@H]1CN(CC[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)CCO1 ZINC000487158059 421007454 /nfs/dbraw/zinc/00/74/54/421007454.db2.gz MCHLTNMGIHXZOU-CQSZACIVSA-N 1 0 323.393 1.804 20 5 DDBDRO C[C@@H](NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)[C@H](C)[NH3+] ZINC000449589615 421033243 /nfs/dbraw/zinc/03/32/43/421033243.db2.gz KDBVSNHXIIDXCU-VHSXEESVSA-N 1 0 303.322 1.246 20 5 DDBDRO C[N@@H+]1CC[C@@H](C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000527054189 421351760 /nfs/dbraw/zinc/35/17/60/421351760.db2.gz SXVPUPNMLABNJI-LLVKDONJSA-N 1 0 305.334 1.136 20 5 DDBDRO CS[C@H]1CN(c2c([N+](=O)[O-])ncn2C)C[C@@H]1[NH+]1CCCC1 ZINC000548364324 421429176 /nfs/dbraw/zinc/42/91/76/421429176.db2.gz GWFHRJFDVIQJSO-QWRGUYRKSA-N 1 0 311.411 1.344 20 5 DDBDRO C[C@@H]1C[C@H](C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@H](C)O1 ZINC000563952489 421559630 /nfs/dbraw/zinc/55/96/30/421559630.db2.gz IWQDVGVYADMGFN-QVHKTLOISA-N 1 0 324.377 1.738 20 5 DDBDRO C[NH+](C)Cc1ccc(NC(=O)c2ccnc(N)c2[N+](=O)[O-])cc1 ZINC000552919191 421596987 /nfs/dbraw/zinc/59/69/87/421596987.db2.gz TWYITDAYBANLPX-UHFFFAOYSA-N 1 0 315.333 1.886 20 5 DDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[N@H+](C)C(C)(C)C1 ZINC000563665334 421533787 /nfs/dbraw/zinc/53/37/87/421533787.db2.gz DDKXGVLTBDEEOY-GFCCVEGCSA-N 1 0 320.393 1.948 20 5 DDBDRO COc1ccc(CC(=O)N2CCC[C@H]2C[NH+](C)C)cc1[N+](=O)[O-] ZINC000532301080 421654827 /nfs/dbraw/zinc/65/48/27/421654827.db2.gz XIAZERHJOLOSKI-ZDUSSCGKSA-N 1 0 321.377 1.699 20 5 DDBDRO CN(CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C[C@H](O)C[NH3+] ZINC000571688785 421736930 /nfs/dbraw/zinc/73/69/30/421736930.db2.gz RKMOQZGSRJPALG-CYBMUJFWSA-N 1 0 320.349 1.044 20 5 DDBDRO [NH3+]C1(CNC(=O)CCOc2ccccc2[N+](=O)[O-])CCCC1 ZINC000595966468 422359608 /nfs/dbraw/zinc/35/96/08/422359608.db2.gz GNYMMSVCPIHUQE-UHFFFAOYSA-N 1 0 307.350 1.751 20 5 DDBDRO C[NH+](C)[C@@H](CNc1ccc(N)c([N+](=O)[O-])n1)c1ccsc1 ZINC000590571596 422321163 /nfs/dbraw/zinc/32/11/63/422321163.db2.gz SMMYETUMIRMJEG-NSHDSACASA-N 1 0 307.379 2.348 20 5 DDBDRO CNc1nccc(C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000597923240 422392444 /nfs/dbraw/zinc/39/24/44/422392444.db2.gz NLLFVHQDVNARIQ-SNVBAGLBSA-N 1 0 321.381 1.634 20 5 DDBDRO Cc1ccc(CC[C@H](C)[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)o1 ZINC000578759713 422641494 /nfs/dbraw/zinc/64/14/94/422641494.db2.gz FYHSCTMINAHACZ-FZMZJTMJSA-N 1 0 322.365 1.665 20 5 DDBDRO [NH3+]C1(CNCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CCC1 ZINC000342090775 271295255 /nfs/dbraw/zinc/29/52/55/271295255.db2.gz BWTHUQBKNWRGLW-UHFFFAOYSA-N 1 0 312.757 1.658 20 5 DDBDRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNc1ccc([N+](=O)[O-])nc1 ZINC000344444382 272028150 /nfs/dbraw/zinc/02/81/50/272028150.db2.gz YAEIFGITPZMRMW-ZDUSSCGKSA-N 1 0 321.381 1.344 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000345883203 272356711 /nfs/dbraw/zinc/35/67/11/272356711.db2.gz YUHOHHCHOJRLKI-NEPJUHHUSA-N 1 0 323.397 1.479 20 5 DDBDRO COC(=O)[C@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000346636822 272505350 /nfs/dbraw/zinc/50/53/50/272505350.db2.gz HYRLTIBECBWALE-RYUDHWBXSA-N 1 0 308.334 1.857 20 5 DDBDRO O=[N+]([O-])c1cccc2ncnc(N3CCC([NH2+]CCO)CC3)c21 ZINC000347444180 272694888 /nfs/dbraw/zinc/69/48/88/272694888.db2.gz JGNARTJQRKMNBR-UHFFFAOYSA-N 1 0 317.349 1.089 20 5 DDBDRO COCC[N@H+]1[C@H](C)CN(c2ncc([N+](=O)[O-])cc2C)C[C@@H]1C ZINC000301776639 274035616 /nfs/dbraw/zinc/03/56/16/274035616.db2.gz OOBINKIYQHFMOC-BETUJISGSA-N 1 0 308.382 1.844 20 5 DDBDRO CSC[C@@H](O)C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000187735257 274177218 /nfs/dbraw/zinc/17/72/18/274177218.db2.gz HSGWRFNPFPBZIV-LBPRGKRZSA-N 1 0 311.407 1.441 20 5 DDBDRO C[C@@H](O)C[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])[C@@H](C)CO ZINC000190856888 274267014 /nfs/dbraw/zinc/26/70/14/274267014.db2.gz LQDZHFBZMBREHV-VHSXEESVSA-N 1 0 302.758 1.812 20 5 DDBDRO [NH3+]C1(CO)CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000301287098 274943047 /nfs/dbraw/zinc/94/30/47/274943047.db2.gz OQOHZHDUQKSDRW-UHFFFAOYSA-N 1 0 319.283 1.904 20 5 DDBDRO CC[N@H+](C)Cc1cccc(CNC(=O)c2[nH]ncc2[N+](=O)[O-])c1 ZINC000138131885 276075969 /nfs/dbraw/zinc/07/59/69/276075969.db2.gz XYGPGFJEPABQFB-UHFFFAOYSA-N 1 0 317.349 1.700 20 5 DDBDRO C[NH+](C)C1CCN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CC1 ZINC000301189137 276773458 /nfs/dbraw/zinc/77/34/58/276773458.db2.gz KXBHNLPAOYLQRO-UHFFFAOYSA-N 1 0 317.349 1.774 20 5 DDBDRO CC[C@H]([NH3+])CN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000423472868 287931787 /nfs/dbraw/zinc/93/17/87/287931787.db2.gz QKDLOWJIUPBNEN-GXTWGEPZSA-N 1 0 303.366 1.745 20 5 DDBDRO COC(=O)c1cc(C)nc(N2CC[C@H](C)C[C@H]2C[NH3+])c1[N+](=O)[O-] ZINC000420263569 277150781 /nfs/dbraw/zinc/15/07/81/277150781.db2.gz UDBVYLCCAOYEFL-ONGXEEELSA-N 1 0 322.365 1.648 20 5 DDBDRO CS[C@@H]1CN(c2ncc([N+](=O)[O-])cn2)C[C@@H]1[NH+]1CCCC1 ZINC000275831714 278157863 /nfs/dbraw/zinc/15/78/63/278157863.db2.gz OFRMZEQPXRNZIC-NWDGAFQWSA-N 1 0 309.395 1.401 20 5 DDBDRO O=c1oc(-c2ccc([N+](=O)[O-])cc2)nn1CC[NH+]1CCCCC1 ZINC000130550810 281384730 /nfs/dbraw/zinc/38/47/30/281384730.db2.gz SVRGTOGRLIHWQI-UHFFFAOYSA-N 1 0 318.333 1.897 20 5 DDBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000262458934 290267004 /nfs/dbraw/zinc/26/70/04/290267004.db2.gz IKGBQLZRIXXTPR-KGLIPLIRSA-N 1 0 304.394 1.635 20 5 DDBDRO Nc1ncc([N+](=O)[O-])cc1C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000365421816 300510436 /nfs/dbraw/zinc/51/04/36/300510436.db2.gz IFEGYVJXLIWQAH-UHFFFAOYSA-N 1 0 319.365 1.319 20 5 DDBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000368499179 301041562 /nfs/dbraw/zinc/04/15/62/301041562.db2.gz NYQUZRZCYUNBTB-JQWIXIFHSA-N 1 0 311.313 1.132 20 5 DDBDRO C[C@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)CC2(CCOCC2)O1 ZINC000369292590 301158449 /nfs/dbraw/zinc/15/84/49/301158449.db2.gz GDLIVUHXJUAXHD-LBPRGKRZSA-N 1 0 310.354 1.061 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH+]2CCC3(CCO3)CC2)c1 ZINC000369326427 301165060 /nfs/dbraw/zinc/16/50/60/301165060.db2.gz HMJZGLGKZFTHNN-AWEZNQCLSA-N 1 0 322.361 1.589 20 5 DDBDRO CC[C@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)C[C@@]2(CCCOC2)O1 ZINC000369535739 301195722 /nfs/dbraw/zinc/19/57/22/301195722.db2.gz CDAZQCPDSRIJDA-DZGCQCFKSA-N 1 0 324.381 1.451 20 5 DDBDRO CC[C@@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)C[C@]2(CCOC2)O1 ZINC000369546955 301196448 /nfs/dbraw/zinc/19/64/48/301196448.db2.gz RCXPJEHGLQOKPW-OCCSQVGLSA-N 1 0 310.354 1.061 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCCC[C@H]2Cn2cccn2)c1 ZINC000369996422 301254655 /nfs/dbraw/zinc/25/46/55/301254655.db2.gz LWPDTHMDDJCBQP-ZDUSSCGKSA-N 1 0 304.354 1.543 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@H](C[NH3+])C2CC2)c1 ZINC000420452649 301424791 /nfs/dbraw/zinc/42/47/91/301424791.db2.gz LRYMOVQJEYHKKM-LLVKDONJSA-N 1 0 313.379 1.227 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(N2CCCN(CC[NH+](C)C)CC2)n1 ZINC000371981720 301516209 /nfs/dbraw/zinc/51/62/09/301516209.db2.gz YVIYTCRCQOJINH-UHFFFAOYSA-N 1 0 307.398 1.372 20 5 DDBDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000377058243 302138636 /nfs/dbraw/zinc/13/86/36/302138636.db2.gz VKAYDHXURRATFT-QWRGUYRKSA-N 1 0 306.322 1.052 20 5 DDBDRO C[C@H]1COCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000378286040 302308423 /nfs/dbraw/zinc/30/84/23/302308423.db2.gz JDUYRTKVUSPYRD-GFCCVEGCSA-N 1 0 307.350 1.892 20 5 DDBDRO Cn1nc([N+](=O)[O-])cc1C(=O)NCCC[NH+]1CCCCCC1 ZINC000356139649 306838079 /nfs/dbraw/zinc/83/80/79/306838079.db2.gz FJJYWXUQMWYHMJ-UHFFFAOYSA-N 1 0 309.370 1.324 20 5 DDBDRO CC(C)OC1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000530686029 303208812 /nfs/dbraw/zinc/20/88/12/303208812.db2.gz APFAOCGOYMQHLH-ZDUSSCGKSA-N 1 0 312.370 1.042 20 5 DDBDRO CC(C)[C@@H](C(=O)NCCOc1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000532666417 303292773 /nfs/dbraw/zinc/29/27/73/303292773.db2.gz OIFOLRZKIPGJKT-AWEZNQCLSA-N 1 0 309.366 1.676 20 5 DDBDRO C[N@@H+]1CCC[C@H]1CCN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000536609379 303365722 /nfs/dbraw/zinc/36/57/22/303365722.db2.gz ACOKVILHAYUQHL-AWEZNQCLSA-N 1 0 319.409 1.596 20 5 DDBDRO O=C(CC[NH2+]CCn1ccnc1)Nc1ccccc1[N+](=O)[O-] ZINC000558380035 303767673 /nfs/dbraw/zinc/76/76/73/303767673.db2.gz HRRITWDCWVMUGB-UHFFFAOYSA-N 1 0 303.322 1.410 20 5 DDBDRO CC(=O)NCCC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000558573487 303775206 /nfs/dbraw/zinc/77/52/06/303775206.db2.gz OVWIDMSOEGMCSM-UHFFFAOYSA-N 1 0 308.338 1.039 20 5 DDBDRO [NH3+]C[C@@H]1CC[C@H](NC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)C1 ZINC000562820785 303897880 /nfs/dbraw/zinc/89/78/80/303897880.db2.gz JFCSXEVLXQGEJP-YPMHNXCESA-N 1 0 318.377 1.790 20 5 DDBDRO CC[NH+](CC)CCNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000362365918 307018928 /nfs/dbraw/zinc/01/89/28/307018928.db2.gz QGNDQDXKNFGWTN-UHFFFAOYSA-N 1 0 315.320 1.874 20 5 DDBDRO O=[N+]([O-])c1ccc(CN2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1F ZINC000367275837 307091215 /nfs/dbraw/zinc/09/12/15/307091215.db2.gz YSPQGEICEFKHTD-CVEARBPZSA-N 1 0 323.368 1.765 20 5 DDBDRO O=[N+]([O-])c1cccc(CS(=O)(=O)N[C@H]2CCC[NH2+]CC2)c1 ZINC000368534759 307104709 /nfs/dbraw/zinc/10/47/09/307104709.db2.gz PMSLPVARRMSNHQ-LBPRGKRZSA-N 1 0 313.379 1.156 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000368722869 307108705 /nfs/dbraw/zinc/10/87/05/307108705.db2.gz TWTXRFCRPOFDMF-LLVKDONJSA-N 1 0 306.366 1.533 20 5 DDBDRO CCOC(=O)CCC[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000373587931 307190855 /nfs/dbraw/zinc/19/08/55/307190855.db2.gz ZLPALCRXDDSVGM-GFCCVEGCSA-N 1 0 310.354 1.772 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CCN(c3ccc4ncc([N+](=O)[O-])n4n3)C[C@@H]21 ZINC000375047434 307217917 /nfs/dbraw/zinc/21/79/17/307217917.db2.gz DDQQTRDWIAFFNO-MNOVXSKESA-N 1 0 302.338 1.168 20 5 DDBDRO O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000376682847 307253533 /nfs/dbraw/zinc/25/35/33/307253533.db2.gz VZXAQRPEQPMCIO-TVQRCGJNSA-N 1 0 320.305 1.327 20 5 DDBDRO C[NH+](C)CCCCC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000560608508 307916774 /nfs/dbraw/zinc/91/67/74/307916774.db2.gz ROMPEJOITZZZOO-UHFFFAOYSA-N 1 0 308.382 1.855 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]Cc2ccc(O)cc2)c1 ZINC000565476559 308031838 /nfs/dbraw/zinc/03/18/38/308031838.db2.gz KVGGRPQAYXHBSH-OAHLLOKOSA-N 1 0 318.329 1.830 20 5 DDBDRO Cc1ccc(CC[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c(C)c1 ZINC000569213932 308136917 /nfs/dbraw/zinc/13/69/17/308136917.db2.gz IGNDPXYTKWMJHN-INIZCTEOSA-N 1 0 318.377 1.601 20 5 DDBDRO Cc1cc(=O)n(C[C@H](C[NH3+])c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000570159997 308160335 /nfs/dbraw/zinc/16/03/35/308160335.db2.gz STIXAWHEHCMRQM-LBPRGKRZSA-N 1 0 305.309 1.947 20 5 DDBDRO COCC[NH2+]C1CCN(C(=O)c2cc(C)cc([N+](=O)[O-])c2)CC1 ZINC000570222363 308162868 /nfs/dbraw/zinc/16/28/68/308162868.db2.gz WBNTUHJTQPTQSC-UHFFFAOYSA-N 1 0 321.377 1.744 20 5 DDBDRO C[NH2+]C[C@@H]1CCCN(C(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000574320854 308267977 /nfs/dbraw/zinc/26/79/77/308267977.db2.gz JNBMQDYICCYCPL-ZDUSSCGKSA-N 1 0 321.377 1.604 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C2CCSCC2)c1 ZINC000576101080 308288212 /nfs/dbraw/zinc/28/82/12/308288212.db2.gz LCTRTGWROWIWJA-ZDUSSCGKSA-N 1 0 312.391 1.820 20 5 DDBDRO C[C@H]1C[C@H]([NH3+])CCN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000578139846 308440862 /nfs/dbraw/zinc/44/08/62/308440862.db2.gz FHWSJKXIROYGED-NWDGAFQWSA-N 1 0 307.350 1.702 20 5 DDBDRO CNc1ccc(C(=O)NCCC[C@@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000578649978 308476315 /nfs/dbraw/zinc/47/63/15/308476315.db2.gz XNABKFAVNRKLED-LBPRGKRZSA-N 1 0 306.366 1.899 20 5 DDBDRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000579241157 308517503 /nfs/dbraw/zinc/51/75/03/308517503.db2.gz KKUIDAPDXIOKDW-ZJUUUORDSA-N 1 0 321.333 1.523 20 5 DDBDRO O=C(NC[C@@H]1CCC[NH2+]1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000579932338 308567197 /nfs/dbraw/zinc/56/71/97/308567197.db2.gz KMDZXEHWDWLVIU-LBPRGKRZSA-N 1 0 304.350 1.415 20 5 DDBDRO COCc1ccccc1C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000390313569 325781331 /nfs/dbraw/zinc/78/13/31/325781331.db2.gz WCTCLTATWPROPA-OAHLLOKOSA-N 1 0 320.349 1.088 20 5 DDBDRO O=C(CCC1CC[NH2+]CC1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000582302251 326008895 /nfs/dbraw/zinc/00/88/95/326008895.db2.gz MELMCZSKESMLMD-UHFFFAOYSA-N 1 0 318.377 1.654 20 5 DDBDRO CC(=O)N1CC([NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000583703535 337092195 /nfs/dbraw/zinc/09/21/95/337092195.db2.gz AKJOPORSDRFWTR-OLZOCXBDSA-N 1 0 307.354 1.095 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@H](CO)CC2CCC2)c1 ZINC000582905539 337213925 /nfs/dbraw/zinc/21/39/25/337213925.db2.gz RYPFBBZLGGCPSN-DZGCQCFKSA-N 1 0 324.377 1.475 20 5 DDBDRO O=C(N[C@@H]1CCC[NH2+]C1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000238124093 490703278 /nfs/dbraw/zinc/70/32/78/490703278.db2.gz KKRLSARMFXQYPQ-GFCCVEGCSA-N 1 0 315.333 1.262 20 5 DDBDRO Cc1c(CNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000332548289 533853558 /nfs/dbraw/zinc/85/35/58/533853558.db2.gz HVZIYQGBHGPJMT-CQSZACIVSA-N 1 0 318.377 1.893 20 5 DDBDRO Cc1c(CNC(=O)N2CC[N@@H+]3CCC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000332548288 533854739 /nfs/dbraw/zinc/85/47/39/533854739.db2.gz HVZIYQGBHGPJMT-AWEZNQCLSA-N 1 0 318.377 1.893 20 5 DDBDRO C[C@@H]1OCC[C@]1(C)[NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000494204580 534206986 /nfs/dbraw/zinc/20/69/86/534206986.db2.gz KMCMUZUERLLSOV-PJODQICGSA-N 1 0 319.361 1.857 20 5 DDBDRO C[C@@H]1CN(C(=O)COc2ccc([N+](=O)[O-])cc2)C[C@H](C)[N@H+]1C ZINC000330786547 534306090 /nfs/dbraw/zinc/30/60/90/534306090.db2.gz NLNSTOAMWAYRSX-TXEJJXNPSA-N 1 0 307.350 1.525 20 5 DDBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000417233858 534461025 /nfs/dbraw/zinc/46/10/25/534461025.db2.gz OSQBGTLJKAFGKL-HNNXBMFYSA-N 1 0 318.377 1.673 20 5 DDBDRO O=C(CNc1ccc([N+](=O)[O-])nc1)NCC[NH+]1CCCCCC1 ZINC000431510010 534600647 /nfs/dbraw/zinc/60/06/47/534600647.db2.gz XMABQTKLZJQXAN-UHFFFAOYSA-N 1 0 321.381 1.394 20 5 DDBDRO [NH3+][C@@H]1CCC[C@H](CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000417212706 534714059 /nfs/dbraw/zinc/71/40/59/534714059.db2.gz BFCZVMRUAVAYRO-UONOGXRCSA-N 1 0 320.393 1.954 20 5 DDBDRO CCC[C@@H]1C[NH2+]CCN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000420316528 527806946 /nfs/dbraw/zinc/80/69/46/527806946.db2.gz YIFXQPFLXGARLN-CYBMUJFWSA-N 1 0 320.393 1.997 20 5 DDBDRO CC(C)[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000490289085 527828778 /nfs/dbraw/zinc/82/87/78/527828778.db2.gz FSYKPJDFVVCBPH-OAHLLOKOSA-N 1 0 305.378 1.936 20 5 DDBDRO CCNC(=O)C(C)(C)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000411822838 528035256 /nfs/dbraw/zinc/03/52/56/528035256.db2.gz VJWNNZDDVIFARC-UHFFFAOYSA-N 1 0 322.365 1.428 20 5 DDBDRO CCOC(=O)c1cc(C(=O)NCC(C)(C)[NH3+])cc([N+](=O)[O-])c1 ZINC000422875389 528145785 /nfs/dbraw/zinc/14/57/85/528145785.db2.gz FDAQBIHNNHWWNF-UHFFFAOYSA-N 1 0 309.322 1.239 20 5 DDBDRO CCOc1ccc(C(=O)N(C)[C@@H](C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000423944873 528388818 /nfs/dbraw/zinc/38/88/18/528388818.db2.gz GEULGMNJGNYUEN-ZDUSSCGKSA-N 1 0 307.350 1.803 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000423516133 528691701 /nfs/dbraw/zinc/69/17/01/528691701.db2.gz ATPHVCOBQQVXIN-MRXNPFEDSA-N 1 0 319.361 1.819 20 5 DDBDRO CC1(C)CCC[NH2+][C@@H]1CNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000430632103 528948767 /nfs/dbraw/zinc/94/87/67/528948767.db2.gz WOKRREXESUXPTN-GFCCVEGCSA-N 1 0 306.366 1.685 20 5 DDBDRO CC[C@H](CNS(C)(=O)=O)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000295025748 529366608 /nfs/dbraw/zinc/36/66/08/529366608.db2.gz LDQAVTAVURHXNH-GFCCVEGCSA-N 1 0 315.395 1.321 20 5 DDBDRO CCCC[N@H+](C)CCNc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000736452624 598772462 /nfs/dbraw/zinc/77/24/62/598772462.db2.gz GKVZNDWATVHLCT-UHFFFAOYSA-N 1 0 319.369 1.919 20 5 DDBDRO CC[NH+](CC)CCCNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC000821189535 607160549 /nfs/dbraw/zinc/16/05/49/607160549.db2.gz OFORQOVTFSMYMK-UHFFFAOYSA-N 1 0 320.357 1.314 20 5 DDBDRO C[C@@H](C(=O)OCCn1ccc([N+](=O)[O-])n1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000748128460 700101341 /nfs/dbraw/zinc/10/13/41/700101341.db2.gz IOIDTXMQJKHSHP-TUAOUCFPSA-N 1 0 310.354 1.596 20 5 DDBDRO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C[C@H](C)[NH2+]1 ZINC000153492434 696916278 /nfs/dbraw/zinc/91/62/78/696916278.db2.gz QZECBQHPLKTJRD-PHIMTYICSA-N 1 0 306.366 1.483 20 5 DDBDRO CC(C)=CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@@]2(C)C1 ZINC000982278418 697081568 /nfs/dbraw/zinc/08/15/68/697081568.db2.gz BPDSNFYETSSAHV-SRABZTEZSA-N 1 0 321.421 1.788 20 5 DDBDRO O=C(N[C@H]1C[C@H](C[NH2+]CC2CCCCC2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000983658250 697287129 /nfs/dbraw/zinc/28/71/29/697287129.db2.gz VORSELFVCNWZJI-KBUPBQIOSA-N 1 0 309.410 1.716 20 5 DDBDRO Cc1cc(C(=O)NCC[N@H+]2CC[C@@H](C)C2)c(N)c([N+](=O)[O-])c1 ZINC000749413539 700163218 /nfs/dbraw/zinc/16/32/18/700163218.db2.gz MIANDDXFRXGKTM-SNVBAGLBSA-N 1 0 306.366 1.557 20 5 DDBDRO CC(C)(C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)N1CCOCC1 ZINC000749637582 700174617 /nfs/dbraw/zinc/17/46/17/700174617.db2.gz BWESJIKXCOUZFK-HNNXBMFYSA-N 1 0 323.393 1.329 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC1(C)CC[NH2+]CC1 ZINC000229626934 697779016 /nfs/dbraw/zinc/77/90/16/697779016.db2.gz VSCXDQPHRVMOEH-UHFFFAOYSA-N 1 0 313.379 1.324 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CCSCCCO)cc1 ZINC000230788619 697784575 /nfs/dbraw/zinc/78/45/75/697784575.db2.gz JNRDMOAKKVCVBS-ZDUSSCGKSA-N 1 0 300.380 1.333 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH+]2CC(C3CCOCC3)C2)cc1 ZINC000799998804 700179679 /nfs/dbraw/zinc/17/96/79/700179679.db2.gz LZBCIFGXIXPLCJ-INIZCTEOSA-N 1 0 306.362 1.987 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)CN2CC[NH+](C3CCC3)CC2)cc1 ZINC000776585038 698122164 /nfs/dbraw/zinc/12/21/64/698122164.db2.gz RMSGLNFQLXQLMP-MRXNPFEDSA-N 1 0 305.378 1.798 20 5 DDBDRO COCc1cc([N+](=O)[O-])ccc1N1CC[NH+](CCCCO)CC1 ZINC000750182707 700208702 /nfs/dbraw/zinc/20/87/02/700208702.db2.gz XHPAFWUJUMSXIF-UHFFFAOYSA-N 1 0 323.393 1.636 20 5 DDBDRO C[C@@]1(C[NH3+])CCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000261842100 698440596 /nfs/dbraw/zinc/44/05/96/698440596.db2.gz QSKUEUZKLMOVHC-ZBFHGGJFSA-N 1 0 318.377 1.371 20 5 DDBDRO O=C1[C@H]([N@@H+]2C[C@@H]3C[C@]3(CO)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000782613390 698750613 /nfs/dbraw/zinc/75/06/13/698750613.db2.gz HXIGCXXQUOJDKO-SGIREYDYSA-N 1 0 317.345 1.014 20 5 DDBDRO COC(=O)/C(C)=C\C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000785866596 699107364 /nfs/dbraw/zinc/10/73/64/699107364.db2.gz JMAKCVUUEXKCNS-JYOAFUTRSA-N 1 0 308.338 1.548 20 5 DDBDRO COC(=O)[C@H]1CC[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)[C@@H]1C ZINC000787237362 699198680 /nfs/dbraw/zinc/19/86/80/699198680.db2.gz FTZVOTUFUCVZTN-MFKMUULPSA-N 1 0 318.333 1.785 20 5 DDBDRO C[NH+](C)C[C@H](CO)Nc1cccc(Br)c1[N+](=O)[O-] ZINC000716782149 699284432 /nfs/dbraw/zinc/28/44/32/699284432.db2.gz JUYDVJKPVHMIJN-MRVPVSSYSA-N 1 0 318.171 1.692 20 5 DDBDRO C[C@H]([NH2+]C[C@@H](O)COCC1CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788586199 699325457 /nfs/dbraw/zinc/32/54/57/699325457.db2.gz ZDCJAZMNEYVXJA-GXFFZTMASA-N 1 0 309.366 1.615 20 5 DDBDRO [NH3+]C1(CO)CCN(c2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000788844932 699342280 /nfs/dbraw/zinc/34/22/80/699342280.db2.gz NNBVCKWDPKJTRX-UHFFFAOYSA-N 1 0 302.334 1.433 20 5 DDBDRO CNC(=O)C1([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)CCCC1 ZINC000734000306 699631720 /nfs/dbraw/zinc/63/17/20/699631720.db2.gz SVEOCXLERWRDEW-UHFFFAOYSA-N 1 0 307.350 1.752 20 5 DDBDRO O=c1oc2cccc([N+](=O)[O-])c2n1CN1CC[C@@]2(CCOC2)C1 ZINC000794634045 699820204 /nfs/dbraw/zinc/82/02/04/699820204.db2.gz YGUSVXLXMFGZGH-OAHLLOKOSA-N 1 0 319.317 1.573 20 5 DDBDRO CCOC(=O)[C@H](C)[C@H](C)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000801542034 700318766 /nfs/dbraw/zinc/31/87/66/700318766.db2.gz XKKQAQLSBXQVRE-UHIISALHSA-N 1 0 310.350 1.806 20 5 DDBDRO CCc1nn(C)cc1CN(CC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000809734350 701683743 /nfs/dbraw/zinc/68/37/43/701683743.db2.gz DQTVYYAWEQGJQF-UHFFFAOYSA-N 1 0 303.366 1.856 20 5 DDBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000765937659 701030376 /nfs/dbraw/zinc/03/03/76/701030376.db2.gz UQMWLHGUCHJVET-WDEREUQCSA-N 1 0 306.366 1.732 20 5 DDBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C[C@H]1C ZINC000765937656 701030412 /nfs/dbraw/zinc/03/04/12/701030412.db2.gz UQMWLHGUCHJVET-GHMZBOCLSA-N 1 0 306.366 1.732 20 5 DDBDRO O=[N+]([O-])c1ccccc1/C=C\CN1CC[NH+](CCCCO)CC1 ZINC000769396489 701243537 /nfs/dbraw/zinc/24/35/37/701243537.db2.gz LNBYMVUEGOMQBR-ALCCZGGFSA-N 1 0 319.405 1.998 20 5 DDBDRO C[NH+](C)C[C@H](O)CNc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000771064623 701307832 /nfs/dbraw/zinc/30/78/32/701307832.db2.gz FPOHFXSCQWWNNY-SECBINFHSA-N 1 0 305.281 1.531 20 5 DDBDRO COC(=O)[C@@]1(C)CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000839665960 701772294 /nfs/dbraw/zinc/77/22/94/701772294.db2.gz JJUMYRBMWKJWQP-HOCLYGCPSA-N 1 0 322.361 1.903 20 5 DDBDRO CC(=O)N1CCC([NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000815554719 701896393 /nfs/dbraw/zinc/89/63/93/701896393.db2.gz HFMCATOKACBZJT-SNVBAGLBSA-N 1 0 306.366 1.839 20 5 DDBDRO O=[N+]([O-])c1cc2c(cc1CN1CC[C@@H]3C[NH2+]C[C@@H]31)OCCO2 ZINC000841026642 702314355 /nfs/dbraw/zinc/31/43/55/702314355.db2.gz MWCIZYUJPOQVJF-MFKMUULPSA-N 1 0 305.334 1.160 20 5 DDBDRO COC[C@H](C[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-])OC ZINC000866337392 706676445 /nfs/dbraw/zinc/67/64/45/706676445.db2.gz QUUDSOQJIHEFSN-GWCFXTLKSA-N 1 0 300.330 1.916 20 5 DDBDRO C[C@@H]1C[C@@H](C)N(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000818021685 702556975 /nfs/dbraw/zinc/55/69/75/702556975.db2.gz FLJQNSJHQTYGAD-FOGDFJRCSA-N 1 0 306.366 1.622 20 5 DDBDRO COCC(COC)[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866367887 706683067 /nfs/dbraw/zinc/68/30/67/706683067.db2.gz QSJPPZGKJOBGJQ-SNVBAGLBSA-N 1 0 300.330 1.916 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@@H](O)c2ccccn2)cc1 ZINC000843096798 702818455 /nfs/dbraw/zinc/81/84/55/702818455.db2.gz VCJHHXXQZZVSNR-LSDHHAIUSA-N 1 0 303.318 1.346 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1-c1noc(C[C@@H]2C[NH2+]CCO2)n1 ZINC000843187151 702836720 /nfs/dbraw/zinc/83/67/20/702836720.db2.gz MBQBCGPJFKSDGI-LLVKDONJSA-N 1 0 304.306 1.484 20 5 DDBDRO C[NH2+]C1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000843351555 702864768 /nfs/dbraw/zinc/86/47/68/702864768.db2.gz OPSDTTGDNIPGKY-UHFFFAOYSA-N 1 0 324.356 1.746 20 5 DDBDRO COC(=O)c1cc(NC(=O)C[C@@H]([NH3+])C2CC2)cc([N+](=O)[O-])c1 ZINC000843384850 702870927 /nfs/dbraw/zinc/87/09/27/702870927.db2.gz CPPDNWXJAKEFQC-GFCCVEGCSA-N 1 0 307.306 1.447 20 5 DDBDRO COC(=O)[C@@H]1C[NH2+]CCCN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000843382710 702870960 /nfs/dbraw/zinc/87/09/60/702870960.db2.gz AITJFPTUOWDAOS-ZDUSSCGKSA-N 1 0 311.313 1.071 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)NCCC[NH2+]C2CC2)cc1[N+](=O)[O-] ZINC000843513568 702897933 /nfs/dbraw/zinc/89/79/33/702897933.db2.gz HZBWNYDXBXTRCZ-UHFFFAOYSA-N 1 0 322.321 1.683 20 5 DDBDRO O=[N+]([O-])c1ccc(-c2noc([C@]34C[NH2+]C[C@H]3COC4)n2)cc1 ZINC000844680274 703054196 /nfs/dbraw/zinc/05/41/96/703054196.db2.gz WTFKVUXFVZKZJD-HZMBPMFUSA-N 1 0 302.290 1.132 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)OC[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000845816590 703206259 /nfs/dbraw/zinc/20/62/59/703206259.db2.gz WKNHJBGVOFSZEL-PWSUYJOCSA-N 1 0 310.354 1.373 20 5 DDBDRO CN1C[C@@H]([N@H+](C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCC1=O ZINC000846920836 703351831 /nfs/dbraw/zinc/35/18/31/703351831.db2.gz OHDNONXBUJAWFG-UONOGXRCSA-N 1 0 307.350 1.181 20 5 DDBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCS(=O)(=O)CC1CC1 ZINC000848536871 703561925 /nfs/dbraw/zinc/56/19/25/703561925.db2.gz XTHYBSRCBSNJRY-AWEZNQCLSA-N 1 0 324.402 1.997 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]Cc2noc3ccccc23)c1 ZINC000848676476 703574467 /nfs/dbraw/zinc/57/44/67/703574467.db2.gz VDKPGLGVPLDBOZ-NSHDSACASA-N 1 0 317.305 1.083 20 5 DDBDRO CO[C@H](C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000849326617 703635816 /nfs/dbraw/zinc/63/58/16/703635816.db2.gz CSGNVXKSGNTEGX-AEGPPILISA-N 1 0 310.350 1.269 20 5 DDBDRO COC[C@@H](C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1)OC ZINC000851714168 703835213 /nfs/dbraw/zinc/83/52/13/703835213.db2.gz FTKLSCUBPRXRJK-OAHLLOKOSA-N 1 0 309.366 1.378 20 5 DDBDRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000869786176 703853526 /nfs/dbraw/zinc/85/35/26/703853526.db2.gz VJALKVSLCUHXSM-LBPRGKRZSA-N 1 0 307.350 1.170 20 5 DDBDRO C[NH+](C)C1(CS(=O)(=O)Oc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000866713489 706772764 /nfs/dbraw/zinc/77/27/64/706772764.db2.gz SXSRNQOBZRXZPB-UHFFFAOYSA-N 1 0 318.326 1.537 20 5 DDBDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000818564666 703927573 /nfs/dbraw/zinc/92/75/73/703927573.db2.gz KVPAWZPDQUFUJD-JQWIXIFHSA-N 1 0 317.349 1.140 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000866720571 706775011 /nfs/dbraw/zinc/77/50/11/706775011.db2.gz MNISNRRXUDPKFS-OLZOCXBDSA-N 1 0 318.377 1.668 20 5 DDBDRO CCN(CC)C(=O)CCC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000818957609 704034494 /nfs/dbraw/zinc/03/44/94/704034494.db2.gz UGAMKIWDQSVHMZ-HNNXBMFYSA-N 1 0 323.393 1.866 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2CCN(CC3CC3)C2)c1 ZINC000819040286 704057252 /nfs/dbraw/zinc/05/72/52/704057252.db2.gz ZAQDOKWNMAOFQM-GDBMZVCRSA-N 1 0 305.378 1.702 20 5 DDBDRO O=C1CC[C@@H]2C[N@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)CC[C@H]2N1 ZINC000852495441 704061998 /nfs/dbraw/zinc/06/19/98/704061998.db2.gz KXFFXVZGFSMXHA-YUELXQCFSA-N 1 0 319.361 1.229 20 5 DDBDRO O=C1CC[C@@H]2C[N@H+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)CC[C@@H]2N1 ZINC000852495720 704062229 /nfs/dbraw/zinc/06/22/29/704062229.db2.gz MTMYJOHZMGXXQE-SNPRPXQTSA-N 1 0 319.361 1.229 20 5 DDBDRO Cc1ccc(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)c(=O)n1C ZINC000819270411 704098123 /nfs/dbraw/zinc/09/81/23/704098123.db2.gz YOJZMXASWJFWAU-OAHLLOKOSA-N 1 0 317.345 1.425 20 5 DDBDRO CCCN1C[C@@H](C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1=O ZINC000819375355 704115811 /nfs/dbraw/zinc/11/58/11/704115811.db2.gz PMVWIIWKTNSQAP-IUODEOHRSA-N 1 0 321.377 1.476 20 5 DDBDRO Cc1n[nH]cc1CCC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819391319 704119522 /nfs/dbraw/zinc/11/95/22/704119522.db2.gz XDXUSDDQJHNSNB-OAHLLOKOSA-N 1 0 304.350 1.882 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC2CC([NH+](C)C)C2)c1 ZINC000819681158 704157683 /nfs/dbraw/zinc/15/76/83/704157683.db2.gz UPDRSQVXXVUCJF-UHFFFAOYSA-N 1 0 321.377 1.881 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CC3CC2(C[NH3+])C3)cc1[N+](=O)[O-] ZINC000852908201 704169744 /nfs/dbraw/zinc/16/97/44/704169744.db2.gz FHTARUBXUBTLOD-UHFFFAOYSA-N 1 0 320.305 1.375 20 5 DDBDRO CN(CC1C[NH+](C)C1)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000853553953 704267280 /nfs/dbraw/zinc/26/72/80/704267280.db2.gz WTJBWBZOSHPGOG-UHFFFAOYSA-N 1 0 315.377 1.909 20 5 DDBDRO CN(CCC[NH3+])C(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857766235 704622461 /nfs/dbraw/zinc/62/24/61/704622461.db2.gz YZQFQUFDHOWLIX-UHFFFAOYSA-N 1 0 303.265 1.374 20 5 DDBDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000867188237 706918681 /nfs/dbraw/zinc/91/86/81/706918681.db2.gz WEFPIJJBOZJQGQ-GHMZBOCLSA-N 1 0 309.341 1.827 20 5 DDBDRO CC(C)[NH+](CCNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000823979220 705348809 /nfs/dbraw/zinc/34/88/09/705348809.db2.gz HSJUHOMYXPZSSL-OAHLLOKOSA-N 1 0 323.393 1.863 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000824657290 705500821 /nfs/dbraw/zinc/50/08/21/705500821.db2.gz CHQXJGJTDFBRDW-NSHDSACASA-N 1 0 309.370 1.089 20 5 DDBDRO O=[N+]([O-])c1ccc(C[NH2+]CCN2CCC(O)CC2)cc1Cl ZINC000825110824 705602050 /nfs/dbraw/zinc/60/20/50/705602050.db2.gz JFGHKHOJBOEHSO-UHFFFAOYSA-N 1 0 313.785 1.795 20 5 DDBDRO C[C@@H]1CC[N@H+](CCNC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000826722478 705857806 /nfs/dbraw/zinc/85/78/06/705857806.db2.gz QVTVHFREGAESHG-BXUZGUMPSA-N 1 0 307.350 1.086 20 5 DDBDRO CCOC(=O)C1=CC[C@@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000863576538 705962647 /nfs/dbraw/zinc/96/26/47/705962647.db2.gz RIKQLMTVXGNZMF-HIFRSBDPSA-N 1 0 320.345 1.870 20 5 DDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@@H]3CCN(CC4CC4)C3)C2)c1 ZINC000877024793 705962927 /nfs/dbraw/zinc/96/29/27/705962927.db2.gz OKRZWAGGPPPMIK-IYXRBSQSSA-N 1 0 305.382 1.569 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3c(N)cccc3[N+](=O)[O-])CC[C@H]21 ZINC000827290331 705969198 /nfs/dbraw/zinc/96/91/98/705969198.db2.gz SWEQCZYCCNCYMZ-ZYHUDNBSSA-N 1 0 304.350 1.343 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000827328349 705976190 /nfs/dbraw/zinc/97/61/90/705976190.db2.gz DWTPPJCEGZMBLM-STQMWFEESA-N 1 0 321.381 1.042 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000827363733 705985304 /nfs/dbraw/zinc/98/53/04/705985304.db2.gz CABPIJKYHGOBSC-BXUZGUMPSA-N 1 0 319.361 1.770 20 5 DDBDRO C[NH2+]C1(CNC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)CCC1 ZINC000863923485 706038643 /nfs/dbraw/zinc/03/86/43/706038643.db2.gz VNLCEDDDJLQUTP-UHFFFAOYSA-N 1 0 322.321 1.683 20 5 DDBDRO COc1cc(C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)ccc1[N+](=O)[O-] ZINC000877379846 706087405 /nfs/dbraw/zinc/08/74/05/706087405.db2.gz XIXXCCBTAYCHBI-XHDPSFHLSA-N 1 0 305.334 1.285 20 5 DDBDRO COCCC[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000828687128 706217418 /nfs/dbraw/zinc/21/74/18/706217418.db2.gz ZZPGKKRUOIRGEZ-UHFFFAOYSA-N 1 0 313.329 1.432 20 5 DDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872152954 707305547 /nfs/dbraw/zinc/30/55/47/707305547.db2.gz XNZRDXKMEGIYHO-BFQNTYOBSA-N 1 0 318.377 1.463 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000836849441 707529526 /nfs/dbraw/zinc/52/95/26/707529526.db2.gz PWNYCWPEPGOKEF-XHDPSFHLSA-N 1 0 318.377 1.437 20 5 DDBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)CSc1ccccc1[N+](=O)[O-] ZINC000882481755 707652596 /nfs/dbraw/zinc/65/25/96/707652596.db2.gz VDJLNOMYXMXTBE-LLVKDONJSA-N 1 0 309.391 1.897 20 5 DDBDRO Cc1c(C[NH2+]C[C@H]2COC3(CCOCC3)O2)cccc1[N+](=O)[O-] ZINC000873102291 707732731 /nfs/dbraw/zinc/73/27/31/707732731.db2.gz IYYCZZXJGRTATE-AWEZNQCLSA-N 1 0 322.361 1.915 20 5 DDBDRO CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000873251537 707785267 /nfs/dbraw/zinc/78/52/67/707785267.db2.gz KXPBWKXJPYAIQK-TZMCWYRMSA-N 1 0 307.350 1.286 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000873320305 707810081 /nfs/dbraw/zinc/81/00/81/707810081.db2.gz UPOZFJZNHFYRFM-XHDPSFHLSA-N 1 0 304.350 1.976 20 5 DDBDRO CS(=O)(=O)[C@H]1C[C@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000883378973 707987689 /nfs/dbraw/zinc/98/76/89/707987689.db2.gz HSFDICBPOVUDGD-SKTRJTJASA-N 1 0 310.375 1.773 20 5 DDBDRO O=[N+]([O-])c1ccc(N[C@H]2CCN(C[C@@H]3C[C@H](F)C[NH2+]3)C2)nc1 ZINC000883424066 707998214 /nfs/dbraw/zinc/99/82/14/707998214.db2.gz DTBRJWMKRPTHLH-SRVKXCTJSA-N 1 0 309.345 1.176 20 5 DDBDRO Nc1c(C(=O)N2CC([NH+]3CCCC3)C2)cc(F)cc1[N+](=O)[O-] ZINC000898613339 708812047 /nfs/dbraw/zinc/81/20/47/708812047.db2.gz CQCPKHPFPAGDFD-UHFFFAOYSA-N 1 0 308.313 1.236 20 5 DDBDRO CC(C)OC(=O)C1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000886723485 708822892 /nfs/dbraw/zinc/82/28/92/708822892.db2.gz AQSLJCWNNBJAJK-UHFFFAOYSA-N 1 0 310.354 1.455 20 5 DDBDRO O=C1NCCN1CC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000886744763 708833284 /nfs/dbraw/zinc/83/32/84/708833284.db2.gz GFODOIVVQYSJSD-CQSZACIVSA-N 1 0 304.350 1.587 20 5 DDBDRO Cc1nn(C)c(C(=O)N[C@@H]2C[C@@H]([NH+](C)C)C23CCC3)c1[N+](=O)[O-] ZINC000898840294 708885618 /nfs/dbraw/zinc/88/56/18/708885618.db2.gz IFGNOQHRGZCUFJ-GHMZBOCLSA-N 1 0 321.381 1.239 20 5 DDBDRO C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CCC1 ZINC000899149637 709001110 /nfs/dbraw/zinc/00/11/10/709001110.db2.gz CQJJLYHLJRVLFS-UONOGXRCSA-N 1 0 303.362 1.957 20 5 DDBDRO CCC1([NH+]2CCC2)CCN(C(=O)c2[nH]nc(C)c2[N+](=O)[O-])CC1 ZINC000899563063 709113241 /nfs/dbraw/zinc/11/32/41/709113241.db2.gz RTPSDTVYJIQDAN-UHFFFAOYSA-N 1 0 321.381 1.717 20 5 DDBDRO C[C@H](NC(=O)C[C@]1(O)CCC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000900267393 709512653 /nfs/dbraw/zinc/51/26/53/709512653.db2.gz FHEOPOIWAPHJJS-BLLLJJGKSA-N 1 0 321.377 1.619 20 5 DDBDRO Cc1nn(C)c(C(=O)N2C[C@@]3(C)C[NH+](C)C[C@]3(C)C2)c1[N+](=O)[O-] ZINC000913288608 713192129 /nfs/dbraw/zinc/19/21/29/713192129.db2.gz FLADYISAEAXMBG-HUUCEWRRSA-N 1 0 321.381 1.051 20 5 DDBDRO Cc1cn(CC(=O)NC2CC[NH+](C(C)C)CC2)nc1[N+](=O)[O-] ZINC000902371466 710732537 /nfs/dbraw/zinc/73/25/37/710732537.db2.gz AWKASRWMZWIBKN-UHFFFAOYSA-N 1 0 309.370 1.089 20 5 DDBDRO [NH3+]C[C@H]1CCN(C(=O)CCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000911737883 710958463 /nfs/dbraw/zinc/95/84/63/710958463.db2.gz DJSRPZTWVGCFJV-SNVBAGLBSA-N 1 0 311.769 1.988 20 5 DDBDRO COC(=O)[C@H]1[C@@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])C1(F)F ZINC000894187951 711006733 /nfs/dbraw/zinc/00/67/33/711006733.db2.gz PLZPLDMDQAALLC-MWLCHTKSSA-N 1 0 300.261 1.739 20 5 DDBDRO C[N@@H+]1CC[C@H]1CNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000928553729 713223430 /nfs/dbraw/zinc/22/34/30/713223430.db2.gz DIXFWTYMYMAMMU-VIFPVBQESA-N 1 0 315.732 1.750 20 5 DDBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@H]2CCO[C@@]23CCOC3)cc1 ZINC000903120980 711038571 /nfs/dbraw/zinc/03/85/71/711038571.db2.gz RAOIXCSKKZSRBX-LSDHHAIUSA-N 1 0 308.334 1.511 20 5 DDBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@H]1CCc2nnnn2CC1 ZINC000894986729 711351670 /nfs/dbraw/zinc/35/16/70/711351670.db2.gz KNOYJTNSBOVJHL-NSHDSACASA-N 1 0 322.756 1.729 20 5 DDBDRO CCC[C@H]1CN(c2nccc(C(=O)OCC)c2[N+](=O)[O-])CC[NH2+]1 ZINC000895057131 711390757 /nfs/dbraw/zinc/39/07/57/711390757.db2.gz DPCLPBGAVKLWTJ-NSHDSACASA-N 1 0 322.365 1.745 20 5 DDBDRO CC1=NO[C@@H](C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000895300899 711479211 /nfs/dbraw/zinc/47/92/11/711479211.db2.gz WZXJLVUJBWYKIV-CQSZACIVSA-N 1 0 319.365 1.713 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CC3CSC3)CC2)cn1 ZINC000895423383 711508856 /nfs/dbraw/zinc/50/88/56/711508856.db2.gz HLBUOOYFMHIYBK-UHFFFAOYSA-N 1 0 308.407 1.911 20 5 DDBDRO Nc1ccc(N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)nc1[N+](=O)[O-] ZINC000895567629 711544767 /nfs/dbraw/zinc/54/47/67/711544767.db2.gz GFEKGOCBMAVIJC-QWRGUYRKSA-N 1 0 309.395 1.564 20 5 DDBDRO CC[C@H](CN1CCOCC1)Nc1c([N+](=O)[O-])c(C)nn1CC ZINC000895802218 711609922 /nfs/dbraw/zinc/60/99/22/711609922.db2.gz PDYGKUTUZGOTKU-GFCCVEGCSA-N 1 0 311.386 1.642 20 5 DDBDRO C[N@H+](CC(=O)N[C@](C)(CO)c1cccc([N+](=O)[O-])c1)C1CCC1 ZINC000913660238 713276770 /nfs/dbraw/zinc/27/67/70/713276770.db2.gz SAQZRWNBKYIWDX-MRXNPFEDSA-N 1 0 321.377 1.403 20 5 DDBDRO Cc1cccc(C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCN2C)c1[N+](=O)[O-] ZINC000896581027 711758027 /nfs/dbraw/zinc/75/80/27/711758027.db2.gz FUJHYOMQCJFABI-TZMCWYRMSA-N 1 0 320.393 1.267 20 5 DDBDRO CN1C[C@H](CC[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000905534639 712068843 /nfs/dbraw/zinc/06/88/43/712068843.db2.gz ZWOADPZNBUKPLD-RISCZKNCSA-N 1 0 307.350 1.086 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@@H]2C[C@@H]3COC[C@@H]3O2)c1 ZINC000905570608 712081379 /nfs/dbraw/zinc/08/13/79/712081379.db2.gz DKFZHGLZGIONOK-BEAPCOKYSA-N 1 0 308.334 1.022 20 5 DDBDRO CCO[C@H](CNC[C@@H](O)c1ccc([N+](=O)[O-])cc1)C[NH+](C)C ZINC000905581902 712085749 /nfs/dbraw/zinc/08/57/49/712085749.db2.gz ZPCMKYYWNGWQMR-HUUCEWRRSA-N 1 0 311.382 1.185 20 5 DDBDRO CC1(C)C[C@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CO1 ZINC000905698065 712122784 /nfs/dbraw/zinc/12/27/84/712122784.db2.gz FZEWTGUCNHAWNP-RYUDHWBXSA-N 1 0 310.350 1.492 20 5 DDBDRO [NH3+][C@@H]1CC[C@H](Cn2cc(Br)c(=O)c([N+](=O)[O-])c2)C1 ZINC000905731029 712133823 /nfs/dbraw/zinc/13/38/23/712133823.db2.gz DWOGNWYIEIVFBI-JGVFFNPUSA-N 1 0 316.155 1.646 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21 ZINC000929090339 713543771 /nfs/dbraw/zinc/54/37/71/713543771.db2.gz BDLYBPKHKQYGKA-MFKMUULPSA-N 1 0 320.349 1.771 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCC(c2ncco2)CC1 ZINC000931446129 714100120 /nfs/dbraw/zinc/10/01/20/714100120.db2.gz FOTNQNLGLAGPTO-UHFFFAOYSA-N 1 0 318.333 1.624 20 5 DDBDRO C[C@@H]1CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)Cc2c[nH]nc21 ZINC000931459852 714102738 /nfs/dbraw/zinc/10/27/38/714102738.db2.gz BEZZIGKDRYGVHU-QMTHXVAHSA-N 1 0 302.334 1.971 20 5 DDBDRO CCOc1cc(NC(=O)NC[C@H]2CC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000931903647 714209247 /nfs/dbraw/zinc/20/92/47/714209247.db2.gz OYMVLNHVUGYSAL-LLVKDONJSA-N 1 0 308.338 1.819 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000932272428 714297469 /nfs/dbraw/zinc/29/74/69/714297469.db2.gz FVEOZTWLGUDTKB-ZDUSSCGKSA-N 1 0 321.381 1.187 20 5 DDBDRO C[C@@H]1CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000932346793 714314955 /nfs/dbraw/zinc/31/49/55/714314955.db2.gz KUWZHCYPKDBHCG-OLZOCXBDSA-N 1 0 310.350 1.445 20 5 DDBDRO O=[N+]([O-])c1cccc(OCCN2CCC[C@@H]([NH2+]CCO)C2)c1 ZINC000923404984 714345014 /nfs/dbraw/zinc/34/50/14/714345014.db2.gz OHXYZNYJXVINCN-CYBMUJFWSA-N 1 0 309.366 1.020 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000932692650 714389788 /nfs/dbraw/zinc/38/97/88/714389788.db2.gz HRUAJBWANQNHQQ-UHFFFAOYSA-N 1 0 323.397 1.433 20 5 DDBDRO COc1ccc(C[NH2+][C@H](C)C[C@@H]2CCC(=O)N2)cc1[N+](=O)[O-] ZINC000924842634 714677143 /nfs/dbraw/zinc/67/71/43/714677143.db2.gz SPEAWGQXVYVROR-PWSUYJOCSA-N 1 0 307.350 1.750 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000935030436 714959450 /nfs/dbraw/zinc/95/94/50/714959450.db2.gz YXDJXNYGACKNMN-UHFFFAOYSA-N 1 0 323.397 1.336 20 5 DDBDRO COc1nc(N2CC3(C2)CC[N@H+](CC2CC2)C3)ccc1[N+](=O)[O-] ZINC001164770652 721282420 /nfs/dbraw/zinc/28/24/20/721282420.db2.gz WCWFBYODTXVCDI-UHFFFAOYSA-N 1 0 318.377 1.921 20 5 DDBDRO Nc1cc(N2CC[NH+](Cc3ccccc3)CC2)ncc1[N+](=O)[O-] ZINC001120872252 782200287 /nfs/dbraw/zinc/20/02/87/782200287.db2.gz NHDBIENGHWSNBD-UHFFFAOYSA-N 1 0 313.361 1.894 20 5 DDBDRO CCn1nccc1C(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001126184160 738480438 /nfs/dbraw/zinc/48/04/38/738480438.db2.gz GTBIDFBNRGYFLV-UHFFFAOYSA-N 1 0 323.378 1.392 20 5 DDBDRO Cc1ncoc1C(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001125317493 732714087 /nfs/dbraw/zinc/71/40/87/732714087.db2.gz QJROLCGNBKFQCP-UHFFFAOYSA-N 1 0 304.306 1.411 20 5 DDBDRO O=C(Cc1c[nH]cn1)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001167352705 733275945 /nfs/dbraw/zinc/27/59/45/733275945.db2.gz JSYMLYHINIALIG-UHFFFAOYSA-N 1 0 317.349 1.157 20 5 DDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@H]2CCC[C@@H](C1)N2C/C=C/Cl ZINC001039583279 735103511 /nfs/dbraw/zinc/10/35/11/735103511.db2.gz KBWCYMQQKSOUMM-OAIRPBAWSA-N 1 0 313.785 1.469 20 5 DDBDRO CC[N@@H+]1CC[C@H](N(C)c2nnc([C@H](C)[N+](=O)[O-])n2C)[C@H](C)C1 ZINC001121389462 782487973 /nfs/dbraw/zinc/48/79/73/782487973.db2.gz SBVMYGZGDPWITD-WOPDTQHZSA-N 1 0 310.402 1.319 20 5 DDBDRO CC[N+](C)(C)Cc1ccccc1NC1CN(S(C)(=O)=O)C1 ZINC001168221411 741830085 /nfs/dbraw/zinc/83/00/85/741830085.db2.gz VXSDFASAVMGFPI-UHFFFAOYSA-N 1 0 312.459 1.339 20 5 DDBDRO CN1CCc2c(c([N+](=O)[O-])ccc2-n2ccnc2C(N)=[NH2+])C1 ZINC001168420801 744368472 /nfs/dbraw/zinc/36/84/72/744368472.db2.gz ZMOMSARKEBYBLU-UHFFFAOYSA-N 1 0 300.322 1.052 20 5 DDBDRO C[NH+](C)CCCOC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000915128389 745731526 /nfs/dbraw/zinc/73/15/26/745731526.db2.gz ISOWLIAWJURMNQ-UHFFFAOYSA-N 1 0 318.333 1.889 20 5 DDBDRO Cc1cc(C)cc(C[NH+]2CC(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c1 ZINC001031660624 747335786 /nfs/dbraw/zinc/33/57/86/747335786.db2.gz MTFSGZZUBNHBHD-HZPDHXFCSA-N 1 0 317.389 1.517 20 5 DDBDRO CCOCC(=O)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001199195189 747736887 /nfs/dbraw/zinc/73/68/87/747736887.db2.gz OXMHOIQPIUVWNT-UHFFFAOYSA-N 1 0 321.377 1.712 20 5 DDBDRO Cc1ncc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)o1 ZINC001034644378 750626184 /nfs/dbraw/zinc/62/61/84/750626184.db2.gz FUGXGOCQIYABMV-HBJVGIJOSA-N 1 0 322.365 1.165 20 5 DDBDRO Cc1nc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)co1 ZINC001034644881 750627218 /nfs/dbraw/zinc/62/72/18/750627218.db2.gz MUSATBLAPUOPHA-HBJVGIJOSA-N 1 0 322.365 1.165 20 5 DDBDRO COC(=O)c1cc(N(CC[NH3+])c2cccnc2)cc([N+](=O)[O-])c1 ZINC001168838179 762064461 /nfs/dbraw/zinc/06/44/61/762064461.db2.gz SGUFHEJORHNFMH-UHFFFAOYSA-N 1 0 316.317 1.873 20 5 DDBDRO C[NH+](C)[C@H]1CCCC[C@@H]1Nc1ncc([N+](=O)[O-])cc1C(N)=O ZINC001168592894 751231012 /nfs/dbraw/zinc/23/10/12/751231012.db2.gz BIKLJLKNQCJGTH-RYUDHWBXSA-N 1 0 307.354 1.373 20 5 DDBDRO Cn1c(=O)ccc2c1CC[C@@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001168962680 762156709 /nfs/dbraw/zinc/15/67/09/762156709.db2.gz MRPUNHSQUFSRGN-FPMFFAJLSA-N 1 0 305.378 1.278 20 5 DDBDRO Cn1c(=O)ccc2c1CC[C@@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001168962686 762156733 /nfs/dbraw/zinc/15/67/33/762156733.db2.gz MRPUNHSQUFSRGN-IACUBPJLSA-N 1 0 305.378 1.278 20 5 DDBDRO [NH3+]Cc1ccc(-c2nnn([C@@H]3CC[C@H](C[N+](=O)[O-])C3)n2)cc1 ZINC001169000730 762171536 /nfs/dbraw/zinc/17/15/36/762171536.db2.gz AROGXGKVBWOPEB-WCQYABFASA-N 1 0 302.338 1.417 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C2CCN(c3ccncn3)CC2)C1 ZINC001168999694 762171625 /nfs/dbraw/zinc/17/16/25/762171625.db2.gz ULRJAKJAKOSNCN-TZMCWYRMSA-N 1 0 305.382 1.480 20 5 DDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CCC(N3CC(F)(F)C3)CC2)C1 ZINC001169034229 762189564 /nfs/dbraw/zinc/18/95/64/762189564.db2.gz GGDLPUMYMQZTFY-AAEUAGOBSA-N 1 0 303.353 1.847 20 5 DDBDRO O=C1CC[C@H]2[C@H](CC[N@H+]2[C@@H]2CC[C@H](C[N+](=O)[O-])C2)N1CC1CC1 ZINC001169019304 762199348 /nfs/dbraw/zinc/19/93/48/762199348.db2.gz HOAZBEKFZLGCFT-FZKCQIBNSA-N 1 0 321.421 1.907 20 5 DDBDRO COc1cccc(O[C@@H]2CC[N@@H+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)n1 ZINC001169053578 762208627 /nfs/dbraw/zinc/20/86/27/762208627.db2.gz IZFUONYPSVFUIN-HZSPNIEDSA-N 1 0 321.377 1.989 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@H](Oc3cnccn3)C2)C1 ZINC001169053887 762208723 /nfs/dbraw/zinc/20/87/23/762208723.db2.gz JYLIBIAEYKRAEZ-MCIONIFRSA-N 1 0 306.366 1.765 20 5 DDBDRO C[C@@H](Nc1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-])c1cnccn1 ZINC001169529649 762489436 /nfs/dbraw/zinc/48/94/36/762489436.db2.gz ODWWMHOWQFQHBU-MRVPVSSYSA-N 1 0 301.310 1.035 20 5 DDBDRO COCC1(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)CCC1 ZINC001131427080 768123460 /nfs/dbraw/zinc/12/34/60/768123460.db2.gz ZLRFIIHQZJSFNP-UHFFFAOYSA-N 1 0 321.377 1.617 20 5 DDBDRO CN(CC[NH3+])CCNc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001170502291 767619730 /nfs/dbraw/zinc/61/97/30/767619730.db2.gz PHQGGIWOMQUFHC-UHFFFAOYSA-N 1 0 306.288 1.916 20 5 DDBDRO [NH3+]Cc1nnnn1-c1nc2ccccc2c(Cl)c1[N+](=O)[O-] ZINC001158075176 767711629 /nfs/dbraw/zinc/71/16/29/767711629.db2.gz UIXPHLFTBUFAHT-UHFFFAOYSA-N 1 0 305.685 1.231 20 5 DDBDRO O=C(Cc1cnoc1)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001132739898 769149085 /nfs/dbraw/zinc/14/90/85/769149085.db2.gz WXSKIMXHABWHAP-UHFFFAOYSA-N 1 0 304.306 1.031 20 5 DDBDRO [NH3+]Cc1ccc2nnn(-c3cc(Cl)ncc3[N+](=O)[O-])c2c1 ZINC001159026626 770504139 /nfs/dbraw/zinc/50/41/39/770504139.db2.gz MNCDVVGEAXKIAB-UHFFFAOYSA-N 1 0 304.697 1.836 20 5 DDBDRO O=[N+]([O-])c1cc(N[C@@H]2C[NH2+]C[C@H]2CO)ccc1C(F)(F)F ZINC001170776123 771199643 /nfs/dbraw/zinc/19/96/43/771199643.db2.gz ADBLOTCUYIJPQM-OIBJUYFYSA-N 1 0 305.256 1.606 20 5 DDBDRO Cc1c(NC(=O)C[N@@H+](C)[C@@H]2CCC[C@H]2O)cccc1[N+](=O)[O-] ZINC001135484060 771530193 /nfs/dbraw/zinc/53/01/93/771530193.db2.gz UQAUNHSRMGCYMS-ZIAGYGMSSA-N 1 0 307.350 1.687 20 5 DDBDRO CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H](Nc2ccccc2[N+](=O)[O-])C1 ZINC001097038003 771590506 /nfs/dbraw/zinc/59/05/06/771590506.db2.gz SWYYOUFUANEYLT-JOCQHMNTSA-N 1 0 320.393 1.994 20 5 DDBDRO CC[C@@]([NH3+])(CO)Nc1cc([N+](=O)[O-])cc(Br)n1 ZINC001170866554 771783268 /nfs/dbraw/zinc/78/32/68/771783268.db2.gz YLJXYKMPPHKCRL-VIFPVBQESA-N 1 0 305.132 1.222 20 5 DDBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001136922229 772211079 /nfs/dbraw/zinc/21/10/79/772211079.db2.gz AMYYMIPUZRVKFL-QMTHXVAHSA-N 1 0 306.366 1.589 20 5 DDBDRO CC[NH+](CC)CC(=O)NCCCNc1ncc([N+](=O)[O-])cc1C ZINC001094442258 775879025 /nfs/dbraw/zinc/87/90/25/775879025.db2.gz WBESFOBPXPHWCP-UHFFFAOYSA-N 1 0 323.397 1.558 20 5 DDBDRO N[C@@H]1C[C@H]1[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173008121 776960444 /nfs/dbraw/zinc/96/04/44/776960444.db2.gz NCYUCUUHRJXYGK-CHWSQXEVSA-N 1 0 312.320 1.531 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CCn2cnnc2)c1F ZINC001173189374 777036854 /nfs/dbraw/zinc/03/68/54/777036854.db2.gz OTDJLSIERZAOSF-JTQLQIEISA-N 1 0 323.328 1.555 20 5 DDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCCN(C2COC2)C1 ZINC001173219130 777050523 /nfs/dbraw/zinc/05/05/23/777050523.db2.gz XEJNWJRQQJYITN-DZGCQCFKSA-N 1 0 319.405 1.979 20 5 DDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@]1(CN)CN2CCC1CC2 ZINC001173221629 777054020 /nfs/dbraw/zinc/05/40/20/777054020.db2.gz OENSAIYDLBKBPL-DYVFJYSZSA-N 1 0 318.421 1.539 20 5 DDBDRO Cc1cnc(NCCN(C)C(=O)C[N@@H+](C)C(C)C)c([N+](=O)[O-])c1 ZINC001101657858 777355055 /nfs/dbraw/zinc/35/50/55/777355055.db2.gz UQLUQNPMWKMHGZ-UHFFFAOYSA-N 1 0 323.397 1.509 20 5 DDBDRO CCC1(CC)CNC(=O)[C@@H]1[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001176451400 778152587 /nfs/dbraw/zinc/15/25/87/778152587.db2.gz BVNORIWTKUKFOB-KBPBESRZSA-N 1 0 321.377 1.523 20 5 DDBDRO Cc1cnc(C[NH2+]CCCCCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])o1 ZINC001178458792 779058955 /nfs/dbraw/zinc/05/89/55/779058955.db2.gz YILJKLMEMMMNDT-CHWSQXEVSA-N 1 0 324.381 1.414 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)CN(C[C@H](O)C[NH+]1CCCC1)CC2 ZINC001116248614 780488173 /nfs/dbraw/zinc/48/81/73/780488173.db2.gz BEIXMQYUQSYUGJ-MRXNPFEDSA-N 1 0 305.378 1.410 20 5 DDBDRO C[NH2+]C[C@H](C)CNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC001118028894 780995330 /nfs/dbraw/zinc/99/53/30/780995330.db2.gz ITPGERDJXXTJMX-VIFPVBQESA-N 1 0 314.773 1.903 20 5 DDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@@H]3CCO[C@]4(CCOC4)C3)C2)c1 ZINC001119300896 781398457 /nfs/dbraw/zinc/39/84/57/781398457.db2.gz JXPNFYWEBLQKPO-XZNOPERXSA-N 1 0 322.365 1.423 20 5 DDBDRO C[NH+](C)C[C@@H](CO)Nc1c2cc(F)ccc2ncc1[N+](=O)[O-] ZINC001119958773 781699050 /nfs/dbraw/zinc/69/90/50/781699050.db2.gz KLNSSEDJKXXMPD-JTQLQIEISA-N 1 0 308.313 1.038 20 5 DDBDRO CCN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cocn1 ZINC001268438482 840187623 /nfs/dbraw/zinc/18/76/23/840187623.db2.gz IVROSVRXCWKYOL-UHFFFAOYSA-N 1 0 318.333 1.835 20 5 DDBDRO Cc1ccc(F)cc1C[NH2+]C/C=C\CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001268544107 840422957 /nfs/dbraw/zinc/42/29/57/840422957.db2.gz ZHGZZWFUYQTLER-OKYAQOQYSA-N 1 0 321.352 1.561 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)N[C@H]2C[C@@H]([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC001142938188 861316205 /nfs/dbraw/zinc/31/62/05/861316205.db2.gz NHPMUPQHCSQKNA-PHIMTYICSA-N 1 0 321.381 1.798 20 5 DDBDRO O=[N+]([O-])c1cnc(NCCC2CCOCC2)nc1C1C[NH2+]C1 ZINC001154852042 861512991 /nfs/dbraw/zinc/51/29/91/861512991.db2.gz KLRPOZANAZMNKX-UHFFFAOYSA-N 1 0 307.354 1.300 20 5 DDBDRO C[NH+](C)C[C@H]1COCCN1c1cnc2cc([N+](=O)[O-])ccc2n1 ZINC001154966870 861608013 /nfs/dbraw/zinc/60/80/13/861608013.db2.gz DXRSBESCAVBXLZ-LBPRGKRZSA-N 1 0 317.349 1.305 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@@H](N3CC(C[NH3+])C3)C2)n1 ZINC001155376221 862010100 /nfs/dbraw/zinc/01/01/00/862010100.db2.gz KQAKIQSQKNFLRQ-CQSZACIVSA-N 1 0 319.409 1.466 20 5 DDBDRO O=[N+]([O-])c1cc2ccccc2nc1N[C@H]1COCCC12C[NH2+]C2 ZINC001155467018 862116345 /nfs/dbraw/zinc/11/63/45/862116345.db2.gz AOBOFXKRKOHUTF-AWEZNQCLSA-N 1 0 314.345 1.933 20 5 DDBDRO CC(C)Oc1nc(NC[C@@]23C[NH2+][C@@H](CO2)C3)ccc1[N+](=O)[O-] ZINC001155545147 862210836 /nfs/dbraw/zinc/21/08/36/862210836.db2.gz KZSFTKXTZLMSSW-QMTHXVAHSA-N 1 0 308.338 1.320 20 5 DDBDRO O=C(N[C@@H]1CC12CC[NH2+]CC2)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001328337709 862911961 /nfs/dbraw/zinc/91/19/61/862911961.db2.gz KAQYJFIXQNZEAY-CQSZACIVSA-N 1 0 316.361 1.762 20 5 DDBDRO C[NH2+]C[C@H](O)[C@H](C)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001122038571 858669821 /nfs/dbraw/zinc/66/98/21/858669821.db2.gz MIKIXSKKTGZWIF-NHYWBVRUSA-N 1 0 321.377 1.302 20 5 DDBDRO Cc1c(CC(=O)N2C[C@@H](C)[C@H](CC[NH3+])C2)cccc1[N+](=O)[O-] ZINC001122145018 858695870 /nfs/dbraw/zinc/69/58/70/858695870.db2.gz KCAMFHCROGSLKA-BXUZGUMPSA-N 1 0 305.378 1.889 20 5 DDBDRO O=C(COc1cccc([N+](=O)[O-])c1)NCC[C@@H]1CCC[NH2+]CC1 ZINC001122595799 858904121 /nfs/dbraw/zinc/90/41/21/858904121.db2.gz SQRZMKOCDIUUMZ-CYBMUJFWSA-N 1 0 321.377 1.870 20 5 DDBDRO Cc1cnc(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])cn1 ZINC001122921825 859008409 /nfs/dbraw/zinc/00/84/09/859008409.db2.gz RDSOVMDVEKFAJL-UHFFFAOYSA-N 1 0 315.333 1.213 20 5 DDBDRO O=C(NCCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1cccnc1 ZINC001154175190 860842213 /nfs/dbraw/zinc/84/22/13/860842213.db2.gz ITRURYSMXAPVDZ-UHFFFAOYSA-N 1 0 314.345 1.900 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCCNC(=O)c1ccccc1 ZINC001154230599 860901020 /nfs/dbraw/zinc/90/10/20/860901020.db2.gz SGOFMZHFCVEDPY-UHFFFAOYSA-N 1 0 317.349 1.238 20 5 DDBDRO Cc1cc(C(=O)NCCC[NH2+]Cc2csc([N+](=O)[O-])c2)no1 ZINC001154434415 861099939 /nfs/dbraw/zinc/09/99/39/861099939.db2.gz ZEFGZUHCEHNLDZ-UHFFFAOYSA-N 1 0 324.362 1.862 20 5 DDBDRO Cn1cc(C(=O)NCCC[NH2+]Cc2cccc([N+](=O)[O-])c2)cn1 ZINC001154510147 861159481 /nfs/dbraw/zinc/15/94/81/861159481.db2.gz HHPBJKDKHLMLEB-UHFFFAOYSA-N 1 0 317.349 1.238 20 5 DDBDRO C[N@@H+]1CCC[C@H]2CN(c3cc([N+](=O)[O-])cc(Cl)[n+]3[O-])C[C@H]21 ZINC001157271042 863700888 /nfs/dbraw/zinc/70/08/88/863700888.db2.gz HGXSPGPUIWXBTK-GXSJLCMTSA-N 1 0 312.757 1.412 20 5 DDBDRO COC(=O)c1ccnc(-n2ccc3c2CC[NH2+]C3)c1[N+](=O)[O-] ZINC001157444185 863822896 /nfs/dbraw/zinc/82/28/96/863822896.db2.gz IEZXDAZIALTQFZ-UHFFFAOYSA-N 1 0 302.290 1.213 20 5 DDBDRO O=[N+]([O-])c1cc(C(F)(F)N2C[C@@H]3C[NH2+][C@@H]3C2)cnc1Cl ZINC001157620051 863981069 /nfs/dbraw/zinc/98/10/69/863981069.db2.gz YEISKBBJUMDCOL-POYBYMJQSA-N 1 0 304.684 1.596 20 5 DDBDRO O=C(NCCC[NH2+]Cc1ccccc1C1CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157767857 864117624 /nfs/dbraw/zinc/11/76/24/864117624.db2.gz YGMKUNDEXNDRKC-HZPDHXFCSA-N 1 0 317.389 1.825 20 5 DDBDRO CCOc1nc(-n2cc3c(n2)CC[C@H]([NH3+])C3)ccc1[N+](=O)[O-] ZINC001157985005 864331551 /nfs/dbraw/zinc/33/15/51/864331551.db2.gz MKXIZNAFEHPMDH-JTQLQIEISA-N 1 0 303.322 1.390 20 5 DDBDRO CO[C@H]1C[NH2+][C@](C)(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001330609054 864484389 /nfs/dbraw/zinc/48/43/89/864484389.db2.gz DCARFFCFMRCGOZ-ZBFHGGJFSA-N 1 0 319.361 1.247 20 5 DDBDRO COC(=O)[C@@]12CC[NH2+][C@@H]1CN(c1ncc([N+](=O)[O-])cc1C)CC2 ZINC001158634464 864772459 /nfs/dbraw/zinc/77/24/59/864772459.db2.gz CAZMYQRSLJHZRE-IUODEOHRSA-N 1 0 320.349 1.030 20 5 DDBDRO [NH3+][C@H]1CN(c2nccc3cc([N+](=O)[O-])ccc32)CC12COC2 ZINC001158768360 864893410 /nfs/dbraw/zinc/89/34/10/864893410.db2.gz BRRZBAAQIDHEFK-ZDUSSCGKSA-N 1 0 300.318 1.307 20 5 DDBDRO C[NH+](C)CCCC(C)(C)NC(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001158784316 864906836 /nfs/dbraw/zinc/90/68/36/864906836.db2.gz AGXCVNKTFIXZGI-UHFFFAOYSA-N 1 0 309.370 1.422 20 5 DDBDRO O=[N+]([O-])c1cnc(N2CC[NH+](CCCO)CC2)c2ccccc21 ZINC001331540223 865143477 /nfs/dbraw/zinc/14/34/77/865143477.db2.gz CRUAENXIKJKIAZ-UHFFFAOYSA-N 1 0 316.361 1.647 20 5 DDBDRO C[C@@H](Nc1nccc2ccc([N+](=O)[O-])cc21)[C@H]1C[NH2+]CCO1 ZINC001159497468 865352223 /nfs/dbraw/zinc/35/22/23/865352223.db2.gz IHEKKYNQXGUFDZ-QMTHXVAHSA-N 1 0 302.334 1.932 20 5 DDBDRO [NH3+]CCN(CC(F)(F)F)C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC001331990416 865483651 /nfs/dbraw/zinc/48/36/51/865483651.db2.gz AOLZWQSFZVXMGA-UTCJRWHESA-N 1 0 317.267 1.958 20 5 DDBDRO COc1nc(N2c3ccccc3OC[C@@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC001160196809 865722540 /nfs/dbraw/zinc/72/25/40/865722540.db2.gz WXWVHKJREZZPKY-JTQLQIEISA-N 1 0 316.317 1.856 20 5 DDBDRO Nc1nc(N2c3ccccc3OC[C@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC001160200406 865724407 /nfs/dbraw/zinc/72/44/07/865724407.db2.gz PVNDZYJDWDPIQI-SECBINFHSA-N 1 0 301.306 1.430 20 5 DDBDRO [NH3+]C[C@H]1COc2ccccc2N1c1ncc([N+](=O)[O-])cc1F ZINC001160199610 865724518 /nfs/dbraw/zinc/72/45/18/865724518.db2.gz LCOUXAJCKNEXKX-JTQLQIEISA-N 1 0 304.281 1.987 20 5 DDBDRO COc1cc(N[C@@H]2CC[NH2+]C[C@H]2C(F)(F)F)ncc1[N+](=O)[O-] ZINC001160735172 866085082 /nfs/dbraw/zinc/08/50/82/866085082.db2.gz CYGAKYYXOQRKDY-HTQZYQBOSA-N 1 0 320.271 1.951 20 5 DDBDRO CN(C)[C@H]1CCCC[C@H]1[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC001332981830 866307928 /nfs/dbraw/zinc/30/79/28/866307928.db2.gz PIMSAEHWNHVDOJ-VHMBPLKRSA-N 1 0 307.398 1.957 20 5 DDBDRO Cc1nc(N(C2COC2)[C@H]2CC[C@H]([NH3+])CC2)ccc1[N+](=O)[O-] ZINC001161275185 866485257 /nfs/dbraw/zinc/48/52/57/866485257.db2.gz NEHKUPKQOCDTOH-HAQNSBGRSA-N 1 0 306.366 1.773 20 5 DDBDRO Cc1cc([N+](=O)[O-])cnc1NC1CCN([C@H]2CC[NH2+]C2)CC1 ZINC001161463550 866683499 /nfs/dbraw/zinc/68/34/99/866683499.db2.gz MMUPKGROPWQFID-ZDUSSCGKSA-N 1 0 305.382 1.536 20 5 DDBDRO O=C(C1C[NH+]([C@@H]2CCOC2)C1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001333745681 866980145 /nfs/dbraw/zinc/98/01/45/866980145.db2.gz MHAJCSFMNKHMJE-OAHLLOKOSA-N 1 0 317.345 1.158 20 5 DDBDRO O=C(NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cc(F)c[nH]1 ZINC001162724526 867769852 /nfs/dbraw/zinc/76/98/52/867769852.db2.gz RZQNQWNEVYUJCZ-UHFFFAOYSA-N 1 0 320.324 1.972 20 5 DDBDRO COC(=O)[C@@H](Nc1c(Cl)nccc1[N+](=O)[O-])C(C)(C)[NH3+] ZINC001162942461 867930185 /nfs/dbraw/zinc/93/01/85/867930185.db2.gz MVNSYKOUJRIOJO-MRVPVSSYSA-N 1 0 302.718 1.334 20 5 DDBDRO COc1nc(Nc2ccc([C@H](C[NH3+])CO)cc2)ccc1[N+](=O)[O-] ZINC001163053292 868042404 /nfs/dbraw/zinc/04/24/04/868042404.db2.gz PJRLOWDEJGLJNM-LLVKDONJSA-N 1 0 318.333 1.777 20 5 DDBDRO Cc1c(F)cnc(NCC[C@@H]2CCOC23C[NH2+]C3)c1[N+](=O)[O-] ZINC001163082983 868072210 /nfs/dbraw/zinc/07/22/10/868072210.db2.gz WYBAUAGGLRDVMG-SNVBAGLBSA-N 1 0 310.329 1.618 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N(C(C)C)C(C)(C)C[NH3+])n1 ZINC001163189684 868200219 /nfs/dbraw/zinc/20/02/19/868200219.db2.gz VZKZDYALKRFVME-UHFFFAOYSA-N 1 0 310.354 1.729 20 5 DDBDRO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C[C@@H]2C1 ZINC001335370514 868255543 /nfs/dbraw/zinc/25/55/43/868255543.db2.gz LTLDTQDTHSMVEG-GRYCIOLGSA-N 1 0 306.366 1.725 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1C[C@H]1C(F)(F)F ZINC001335412608 868278864 /nfs/dbraw/zinc/27/88/64/868278864.db2.gz PVXBVBIRIPWEOO-OPRDCNLKSA-N 1 0 320.267 1.875 20 5 DDBDRO COc1cccc(N[C@H]2CCO[C@]3(CC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC001163322066 868350059 /nfs/dbraw/zinc/35/00/59/868350059.db2.gz GKOYMLPRLQNSEM-XHDPSFHLSA-N 1 0 307.350 1.926 20 5 DDBDRO CCOC(=O)c1cc(N[C@H]2C[NH2+][C@@H]3CCO[C@@H]32)ccc1[N+](=O)[O-] ZINC001163348026 868380840 /nfs/dbraw/zinc/38/08/40/868380840.db2.gz QJZKETDCLWPMHC-DYEKYZERSA-N 1 0 321.333 1.313 20 5 DDBDRO CNC(=O)[C@H](CCCC[NH3+])Nc1ncc([N+](=O)[O-])cc1Cl ZINC001163439160 868449295 /nfs/dbraw/zinc/44/92/95/868449295.db2.gz PXYFYKRQHZSGRQ-JTQLQIEISA-N 1 0 315.761 1.299 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@H]2CCn3cncc3C2)c1 ZINC001336016247 868681709 /nfs/dbraw/zinc/68/17/09/868681709.db2.gz DNWZGBSQDVQGAH-WFASDCNBSA-N 1 0 302.334 1.429 20 5 DDBDRO C[C@@H]1CN(c2cc(N)c([N+](=O)[O-])cn2)CC[N@@H+](C2CCC2)C1 ZINC001336650331 869073996 /nfs/dbraw/zinc/07/39/96/869073996.db2.gz DKVRFWSGKARLRX-NSHDSACASA-N 1 0 305.382 1.883 20 5 DDBDRO C[C@]1(F)CCN(c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)C[C@@H]1F ZINC001164337604 869134266 /nfs/dbraw/zinc/13/42/66/869134266.db2.gz GCXXZQUKLNSJCV-GWCFXTLKSA-N 1 0 313.308 1.348 20 5 DDBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N2C[C@@H]3C[C@]3(C[NH+](C)C)C2)n1 ZINC001165181002 869417175 /nfs/dbraw/zinc/41/71/75/869417175.db2.gz JEROXPUHVKEBHV-ZANVPECISA-N 1 0 311.773 1.735 20 5 DDBDRO CC(C)[N@@H+]1CCN(c2ncc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H]1C ZINC001165199351 869422967 /nfs/dbraw/zinc/42/29/67/869422967.db2.gz RAYDYMCVWBOMJD-SNVBAGLBSA-N 1 0 309.326 1.817 20 5 DDBDRO CO[C@H]1CN(C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)C[C@@H]1[NH3+] ZINC001165204402 869426842 /nfs/dbraw/zinc/42/68/42/869426842.db2.gz HYWUHMWZHWSSMK-IUCAKERBSA-N 1 0 322.699 1.350 20 5 DDBDRO Cc1nc(Cl)nc(N2CCC(F)(C[NH3+])CC2)c1[N+](=O)[O-] ZINC001165259020 869473516 /nfs/dbraw/zinc/47/35/16/869473516.db2.gz AUYPDZGGJOTDJI-UHFFFAOYSA-N 1 0 303.725 1.614 20 5 DDBDRO O=[N+]([O-])c1ccc2ccc(N3CCOCC34C[NH2+]C4)nc2c1 ZINC001165287035 869497273 /nfs/dbraw/zinc/49/72/73/869497273.db2.gz XSIPOMFQJNZLKS-UHFFFAOYSA-N 1 0 300.318 1.322 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])ncc1NCC[C@@H]1CCC[N@H+](C)C1 ZINC001165300483 869507581 /nfs/dbraw/zinc/50/75/81/869507581.db2.gz PFMDDDAYBUGUDM-NSHDSACASA-N 1 0 322.365 1.920 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(N[C@H](C)[C@H]2C[N@H+](C)CCN2C)c1 ZINC001337678387 869592025 /nfs/dbraw/zinc/59/20/25/869592025.db2.gz HTXRCCITBIOMGR-IAQYHMDHSA-N 1 0 308.382 1.650 20 5 DDBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1C[NH2+]CC1(C)C ZINC001338758601 870154198 /nfs/dbraw/zinc/15/41/98/870154198.db2.gz GWUFBVSNCHENMN-AWEZNQCLSA-N 1 0 320.393 1.777 20 5 DDBDRO Cc1cc([N+](=O)[O-])cnc1-n1ccc([C@@H]2CCC[NH2+]2)nc1=N ZINC001166700321 870169015 /nfs/dbraw/zinc/16/90/15/870169015.db2.gz JUHOTGHSWIDCHL-NSHDSACASA-N 1 0 300.322 1.388 20 5 DDBDRO CCC[N@H+](C)C[C@H]1CCN(c2nnc([C@@H](C)[N+](=O)[O-])n2CC)C1 ZINC001339468483 870512267 /nfs/dbraw/zinc/51/22/67/870512267.db2.gz VPCCTRLFFYPMPB-CHWSQXEVSA-N 1 0 324.429 1.804 20 5 DDBDRO C[C@@H](c1nnc(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)n1C)[N+](=O)[O-] ZINC001339670215 870619379 /nfs/dbraw/zinc/61/93/79/870619379.db2.gz XTGJCMIDGUKNOV-RYUDHWBXSA-N 1 0 322.413 1.463 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC001340605406 871226993 /nfs/dbraw/zinc/22/69/93/871226993.db2.gz YOPKCGDXPCTONL-BDAKNGLRSA-N 1 0 320.271 1.285 20 5 DDBDRO CCn1c([C@@H](C)[N+](=O)[O-])nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC001340878739 871405191 /nfs/dbraw/zinc/40/51/91/871405191.db2.gz QWFPXWOTZZRKTA-OLZOCXBDSA-N 1 0 324.429 1.804 20 5 DDBDRO O=[N+]([O-])c1c(N2CC([NH2+]C3CCOCC3)C2)nc2sccn21 ZINC001307207601 871409124 /nfs/dbraw/zinc/40/91/24/871409124.db2.gz VXDIPACCFFENHT-UHFFFAOYSA-N 1 0 323.378 1.261 20 5 DDBDRO CCn1c(C[N+](=O)[O-])nnc1N1CCC(C)([NH+]2CCCC2)CC1 ZINC001340993744 871457564 /nfs/dbraw/zinc/45/75/64/871457564.db2.gz VHWMJADLDCMFEE-UHFFFAOYSA-N 1 0 322.413 1.529 20 5 DDBDRO C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC001341153055 871531096 /nfs/dbraw/zinc/53/10/96/871531096.db2.gz MAVRDYDTKUSMBL-WAZAZEMKSA-N 1 0 303.362 1.752 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCC[N@H+](C)CCO ZINC001310687923 871645628 /nfs/dbraw/zinc/64/56/28/871645628.db2.gz CFXGFLVJEJICMB-UHFFFAOYSA-N 1 0 310.354 1.257 20 5 DDBDRO COc1ccc(C(=O)N2CCC[C@@H]3CC[C@@]32C[NH3+])cc1[N+](=O)[O-] ZINC001342086483 871996279 /nfs/dbraw/zinc/99/62/79/871996279.db2.gz HPLHIRRFLLTJHP-MLGOLLRUSA-N 1 0 319.361 1.947 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001342189610 872061264 /nfs/dbraw/zinc/06/12/64/872061264.db2.gz XVNCWINSDQAWBM-ZWKOPEQDSA-N 1 0 304.350 1.284 20 5 DDBDRO CSc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)cc1[N+](=O)[O-] ZINC001342944365 872447796 /nfs/dbraw/zinc/44/77/96/872447796.db2.gz VHOFRAHVEFGDFP-HBNTYKKESA-N 1 0 307.375 1.939 20 5 DDBDRO CN(CC1CC[NH2+]CC1)C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC001343568813 872674210 /nfs/dbraw/zinc/67/42/10/872674210.db2.gz MWJSFGATQKCLCB-UHFFFAOYSA-N 1 0 321.377 1.822 20 5 DDBDRO COc1ccnc(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC001346289600 873688500 /nfs/dbraw/zinc/68/85/00/873688500.db2.gz WCKLYJQDKITCHV-OAHLLOKOSA-N 1 0 303.318 1.822 20 5 DDBDRO CN(C)[C@H](C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001346621113 873826781 /nfs/dbraw/zinc/82/67/81/873826781.db2.gz RUIWHAYHGCROCU-GOEBONIOSA-N 1 0 323.393 1.264 20 5 DDBDRO Cc1cc(C(=O)N2CC[C@](O)(C[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC001347174159 874043202 /nfs/dbraw/zinc/04/32/02/874043202.db2.gz AKOSVHPDQCDBAC-HNNXBMFYSA-N 1 0 307.350 1.042 20 5 DDBDRO CN1CCCC[C@@H]1C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC001353259710 877217764 /nfs/dbraw/zinc/21/77/64/877217764.db2.gz KJBICDVULAKXEJ-CABCVRRESA-N 1 0 323.393 1.408 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1C[C@H](C)OC[C@H]1C[C@@H]2CC[NH2+]C[C@@H]2O1 ZINC001217872986 877345893 /nfs/dbraw/zinc/34/58/93/877345893.db2.gz VZBDIXRHIAKZMR-DEQVHRJGSA-N 1 0 324.381 1.272 20 5 DDBDRO CCOC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1O[C@@H]1CCC[NH2+]C1 ZINC001218280139 877442187 /nfs/dbraw/zinc/44/21/87/877442187.db2.gz XYTMYXPLEGMUMM-MRVPVSSYSA-N 1 0 311.294 1.003 20 5 DDBDRO Nc1cc2nc3ccccc3nc2cc1NC(=O)CNCCC[NH3+] ZINC001218858694 877770259 /nfs/dbraw/zinc/77/02/59/877770259.db2.gz DJLNOBHCGZKLIN-UHFFFAOYSA-N 1 0 324.388 1.242 20 5 DDBDRO [NH3+]C[C@]12CC[C@@H]1CCCN2C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC001355338610 878511501 /nfs/dbraw/zinc/51/15/01/878511501.db2.gz GQBAYJUWRQIJEU-BLLLJJGKSA-N 1 0 319.361 1.704 20 5 DDBDRO C[NH2+]CCOCCN(C)C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001356544682 879093482 /nfs/dbraw/zinc/09/34/82/879093482.db2.gz HOPSUDMOVHUAFY-LBPRGKRZSA-N 1 0 324.381 1.533 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCC[C@H]([NH2+]CCO)C1 ZINC001357952204 880262957 /nfs/dbraw/zinc/26/29/57/880262957.db2.gz GPVXZMYJZYJJRC-ZDUSSCGKSA-N 1 0 321.377 1.398 20 5 DDBDRO COC(=O)c1ccc(CO[C@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC001223413081 880951667 /nfs/dbraw/zinc/95/16/67/880951667.db2.gz ILRIEJCUYIUGRM-ZDUSSCGKSA-N 1 0 308.334 1.992 20 5 DDBDRO COc1ccc(Cl)c(OC(=O)C[C@@H](O)C[N+](C)(C)C)c1 ZINC001227693961 883136621 /nfs/dbraw/zinc/13/66/21/883136621.db2.gz MDUBJHHLDIHBOU-SNVBAGLBSA-N 1 0 302.778 1.711 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cc(F)cc2cccnc21 ZINC001227980640 883264094 /nfs/dbraw/zinc/26/40/94/883264094.db2.gz OWYSAJAWENZFQQ-CYBMUJFWSA-N 1 0 307.345 1.737 20 5 DDBDRO OC[C@H]1C[N@H+](Cc2ccc3ccc4cccnc4c3n2)C[C@H]1O ZINC001232219393 886165201 /nfs/dbraw/zinc/16/52/01/886165201.db2.gz TZIRRFBKKKXJGR-GDBMZVCRSA-N 1 0 309.369 1.568 20 5 DDBDRO [NH3+]CCN(CC(F)(F)F)C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC001333653099 913183610 /nfs/dbraw/zinc/18/36/10/913183610.db2.gz AUXQWUVVQTYGSP-UHFFFAOYSA-N 1 0 321.255 1.323 20 5 DDBDRO COc1ccc(C[C@@H](C)N[C@@H]2C[NH2+]CC[C@@H]2F)c([N+](=O)[O-])c1 ZINC001246484239 892649692 /nfs/dbraw/zinc/64/96/92/892649692.db2.gz WGXGAKGSDZTTHE-DDTOSNHZSA-N 1 0 311.357 1.824 20 5 DDBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc(COC[C@H]2CCC[NH2+]2)n1 ZINC001248881824 893755065 /nfs/dbraw/zinc/75/50/65/893755065.db2.gz HRKBXWPMIKPUKS-SECBINFHSA-N 1 0 323.284 1.448 20 5 DDBDRO COc1nccc(C[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)n1 ZINC001254577601 896511291 /nfs/dbraw/zinc/51/12/91/896511291.db2.gz FWWOMOADWWEAMA-ZDUSSCGKSA-N 1 0 300.318 1.650 20 5 DDBDRO C[C@]1(CO)CC[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C[C@H]1O ZINC001254592066 896521405 /nfs/dbraw/zinc/52/14/05/896521405.db2.gz ABVXNTGSQXHNHO-ARFHVFGLSA-N 1 0 306.362 1.127 20 5 DDBDRO CCOC(=O)[C@H]1[C@@H]2C[N@H+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C[C@@H]21 ZINC001254606470 896528403 /nfs/dbraw/zinc/52/84/03/896528403.db2.gz GTPHTMKUKYAWHD-WCVJEAGWSA-N 1 0 316.357 1.803 20 5 DDBDRO C[N@H+](C1CN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1)[C@H]1CCOC1 ZINC001254604609 896528806 /nfs/dbraw/zinc/52/88/06/896528806.db2.gz WWFNXFGEJQDQEA-HOTGVXAUSA-N 1 0 317.389 1.467 20 5 DDBDRO COc1cc(N2CCC([NH2+]CCC(N)=O)CC2)ccc1[N+](=O)[O-] ZINC001256087714 897277807 /nfs/dbraw/zinc/27/78/07/897277807.db2.gz MYNUBXRTIFILGR-UHFFFAOYSA-N 1 0 322.365 1.037 20 5 DDBDRO C[C@@H]1C[N@@H+](CCc2nnc(-c3ccc([N+](=O)[O-])o3)o2)C[C@H](C)O1 ZINC001258013262 898015547 /nfs/dbraw/zinc/01/55/47/898015547.db2.gz VFTBJYHQHSJAHQ-AOOOYVTPSA-N 1 0 322.321 1.890 20 5 DDBDRO C[NH2+][C@@H](C)CCNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC001261460586 899581628 /nfs/dbraw/zinc/58/16/28/899581628.db2.gz IXRNGPXMRRSEEN-JTQLQIEISA-N 1 0 302.334 1.871 20 5 DDBDRO CCO[C@H]1C[C@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC001262571906 900254835 /nfs/dbraw/zinc/25/48/35/900254835.db2.gz GCJLVMIPWYTRNM-UXIGCNINSA-N 1 0 310.350 1.492 20 5 DDBDRO CCOc1cc(C(=O)NOC[C@@H](C)[NH3+])c([N+](=O)[O-])cc1OC ZINC001263139756 900511391 /nfs/dbraw/zinc/51/13/91/900511391.db2.gz DXTWQXXFJSYXHC-MRVPVSSYSA-N 1 0 313.310 1.011 20 5 DDBDRO COc1ccc(CC(=O)N2[C@H](C)C[NH2+][C@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC001263201400 900530423 /nfs/dbraw/zinc/53/04/23/900530423.db2.gz DTPGHCUYBQIKSR-IJLUTSLNSA-N 1 0 321.377 1.743 20 5 DDBDRO CN(C(=O)Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001263316644 900572774 /nfs/dbraw/zinc/57/27/74/900572774.db2.gz ZDWVYLJXAHDZGW-YABSGUDNSA-N 1 0 309.753 1.467 20 5 DDBDRO C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CC[NH2+]1 ZINC000278292937 214072008 /nfs/dbraw/zinc/07/20/08/214072008.db2.gz RELFDSQEVRTRLE-WDEREUQCSA-N 1 0 306.366 1.531 20 5 DDBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cc(C)cc([N+](=O)[O-])c2N)C1 ZINC000081792357 192324655 /nfs/dbraw/zinc/32/46/55/192324655.db2.gz VZFRNUYBOGTUJX-GFCCVEGCSA-N 1 0 320.393 1.899 20 5 DDBDRO C[C@@H](CCC[NH3+])NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000449567248 230616517 /nfs/dbraw/zinc/61/65/17/230616517.db2.gz SMXUSZXHNCIDII-NSHDSACASA-N 1 0 317.349 1.638 20 5 DDBDRO [NH3+]C[C@H]1CC[C@H](NC(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000449713055 230636971 /nfs/dbraw/zinc/63/69/71/230636971.db2.gz VSDGZTFZGRBINJ-QWRGUYRKSA-N 1 0 309.391 1.931 20 5 DDBDRO CCN(CCC[NH+](C)C)c1nc(C)cc(C(=O)OC)c1[N+](=O)[O-] ZINC000286546786 219047354 /nfs/dbraw/zinc/04/73/54/219047354.db2.gz DHURVGXTKIORBU-UHFFFAOYSA-N 1 0 324.381 1.863 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@H]([C@@H](CO)C1CC1)C1CC1 ZINC000451615863 231138733 /nfs/dbraw/zinc/13/87/33/231138733.db2.gz UWDJYBGLLNJQHT-HOCLYGCPSA-N 1 0 321.377 1.143 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@H]([C@H](CO)C1CC1)C1CC1 ZINC000451615864 231139402 /nfs/dbraw/zinc/13/94/02/231139402.db2.gz UWDJYBGLLNJQHT-ZBFHGGJFSA-N 1 0 321.377 1.143 20 5 DDBDRO CCc1n[nH]c(C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)c1[N+](=O)[O-] ZINC000425060097 529465897 /nfs/dbraw/zinc/46/58/97/529465897.db2.gz UJUOQJMRRSUWFL-GXSJLCMTSA-N 1 0 307.354 1.047 20 5 DDBDRO CC[NH+](CC)[C@@H]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090551226 185302332 /nfs/dbraw/zinc/30/23/32/185302332.db2.gz VNVVWQIPNGLTGM-CYBMUJFWSA-N 1 0 308.382 1.173 20 5 DDBDRO CO[C@]1(C)C[C@H]([N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)C1(C)C ZINC000090551325 185302797 /nfs/dbraw/zinc/30/27/97/185302797.db2.gz FCFXUGVRJZIKLR-XJKSGUPXSA-N 1 0 323.393 1.892 20 5 DDBDRO C[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C[C@H]1CCCO1 ZINC000181562094 199318275 /nfs/dbraw/zinc/31/82/75/199318275.db2.gz ZGOFVNJCMWRHLN-QWHCGFSZSA-N 1 0 310.350 1.445 20 5 DDBDRO C[N@@H+]1CC[C@@](O)(CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000331985273 529801241 /nfs/dbraw/zinc/80/12/41/529801241.db2.gz TZOSZQQBOBTPFZ-JKSUJKDBSA-N 1 0 305.378 1.628 20 5 DDBDRO CN(C)c1ccccc1C[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000288998624 282300245 /nfs/dbraw/zinc/30/02/45/282300245.db2.gz MECVVPGRVRWLOJ-UHFFFAOYSA-N 1 0 303.366 1.989 20 5 DDBDRO C[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1(CO)CCC1 ZINC000429227231 529943429 /nfs/dbraw/zinc/94/34/29/529943429.db2.gz NWGGWHOFGCSFJQ-CYBMUJFWSA-N 1 0 310.350 1.181 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCC1CS(=O)(=O)C1 ZINC000615761558 362429114 /nfs/dbraw/zinc/42/91/14/362429114.db2.gz FIVDUDNOKMJVQG-LLVKDONJSA-N 1 0 312.391 1.989 20 5 DDBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)C1C[NH+](C2CCCCC2)C1 ZINC000457652667 232098999 /nfs/dbraw/zinc/09/89/99/232098999.db2.gz BARQUYIXHWNZOP-UHFFFAOYSA-N 1 0 321.381 1.172 20 5 DDBDRO CCN1CCN(c2ncc(C(=O)OC)cc2[N+](=O)[O-])C[C@@H]1C ZINC000616376529 362666704 /nfs/dbraw/zinc/66/67/04/362666704.db2.gz UAZHNTZRGHPQCK-JTQLQIEISA-N 1 0 308.338 1.307 20 5 DDBDRO C[NH+](C)CC1(NC(=O)Cc2ccc([N+](=O)[O-])cc2F)CCC1 ZINC000341965887 282521976 /nfs/dbraw/zinc/52/19/76/282521976.db2.gz QMPGPQLANAFMEQ-UHFFFAOYSA-N 1 0 309.341 1.877 20 5 DDBDRO COC[C@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)OC ZINC000272639978 210042433 /nfs/dbraw/zinc/04/24/33/210042433.db2.gz CKKKPUPSEDPZTQ-NSHDSACASA-N 1 0 320.292 1.947 20 5 DDBDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000564551139 304000521 /nfs/dbraw/zinc/00/05/21/304000521.db2.gz BJJSSHVMGFWPDR-VXGBXAGGSA-N 1 0 322.365 1.352 20 5 DDBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](CCc3cn[nH]c3)C2)nc1 ZINC000459386772 233152828 /nfs/dbraw/zinc/15/28/28/233152828.db2.gz YOMQYNYVMYDKKM-LBPRGKRZSA-N 1 0 302.338 1.442 20 5 DDBDRO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000331413617 233384294 /nfs/dbraw/zinc/38/42/94/233384294.db2.gz VQIDRWPPSTTYFP-GFCCVEGCSA-N 1 0 306.366 1.871 20 5 DDBDRO CC[N@@H+]1CCC[C@@H]1CNc1nc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000287185899 219366459 /nfs/dbraw/zinc/36/64/59/219366459.db2.gz ZTZHNFFVWLFDRG-SNVBAGLBSA-N 1 0 308.338 1.673 20 5 DDBDRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000237475353 186295185 /nfs/dbraw/zinc/29/51/85/186295185.db2.gz WLSXNOCPFRHSCJ-VHSXEESVSA-N 1 0 322.321 1.702 20 5 DDBDRO C[C@@H](C[NH+](C)C)NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000287215538 219384945 /nfs/dbraw/zinc/38/49/45/219384945.db2.gz OBCFQJBAFFXZFY-NSHDSACASA-N 1 0 317.349 1.460 20 5 DDBDRO COCC[N@H+](C)CCCNC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000043147332 352363025 /nfs/dbraw/zinc/36/30/25/352363025.db2.gz GCKHWEUJHSZDSI-UHFFFAOYSA-N 1 0 324.381 1.993 20 5 DDBDRO O=C(NCC1([NH+]2CCSCC2)CCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000044521420 352387343 /nfs/dbraw/zinc/38/73/43/352387343.db2.gz FNIXITJXMUASFJ-VXGBXAGGSA-N 1 0 313.423 1.129 20 5 DDBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000057553760 352820350 /nfs/dbraw/zinc/82/03/50/352820350.db2.gz AUURCQFOPPDLOT-GFCCVEGCSA-N 1 0 318.377 1.750 20 5 DDBDRO CNC(=O)c1ccc(NCC(C)(C)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000064904559 352945624 /nfs/dbraw/zinc/94/56/24/352945624.db2.gz VFHCKDBYTWDDBZ-UHFFFAOYSA-N 1 0 308.382 1.954 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NCCC[NH+]1CCC(C)CC1 ZINC000065836391 352965572 /nfs/dbraw/zinc/96/55/72/352965572.db2.gz NBPZTUYMPIVVPJ-UHFFFAOYSA-N 1 0 323.397 1.338 20 5 DDBDRO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)[C@H]1C[C@@H]1[N+](=O)[O-] ZINC000067837656 353070284 /nfs/dbraw/zinc/07/02/84/353070284.db2.gz SONSJJQFVUKQLN-HOTGVXAUSA-N 1 0 317.389 1.680 20 5 DDBDRO CC[NH+](CC)CCNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000070710080 353181616 /nfs/dbraw/zinc/18/16/16/353181616.db2.gz SNGJYTUOSBENRC-UHFFFAOYSA-N 1 0 308.382 1.732 20 5 DDBDRO CC[NH+]1CCC(CCNC(=O)c2c([N+](=O)[O-])c(C)nn2C)CC1 ZINC000174102688 198292034 /nfs/dbraw/zinc/29/20/34/198292034.db2.gz NXZJWARZSDHTGF-UHFFFAOYSA-N 1 0 323.397 1.489 20 5 DDBDRO NS(=O)(=O)C[C@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000074288258 353304103 /nfs/dbraw/zinc/30/41/03/353304103.db2.gz MPGLIMQJZCPZOA-NSHDSACASA-N 1 0 313.379 1.095 20 5 DDBDRO CCC[N@@H+]1CCCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000078251325 353506801 /nfs/dbraw/zinc/50/68/01/353506801.db2.gz UQMKEMRIIOUGJF-UHFFFAOYSA-N 1 0 306.366 1.616 20 5 DDBDRO CC[N@H+](C)C[C@@H]1CCN(c2ccc(C(=O)NC)cc2[N+](=O)[O-])C1 ZINC000078583676 353523045 /nfs/dbraw/zinc/52/30/45/353523045.db2.gz ZQJYWOQPFDPQLO-LBPRGKRZSA-N 1 0 320.393 1.732 20 5 DDBDRO Cc1nn(C)c(N2CCC[N@@H+](C3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000077990254 353500358 /nfs/dbraw/zinc/50/03/58/353500358.db2.gz VHYHPNPZRIZJPZ-UHFFFAOYSA-N 1 0 323.397 1.328 20 5 DDBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)CN2CCCC2=O)cc1[N+](=O)[O-] ZINC000089514840 353774514 /nfs/dbraw/zinc/77/45/14/353774514.db2.gz RNHIHAXAYDNYNE-OCCSQVGLSA-N 1 0 321.377 1.537 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCO)CC2)c2ncccc12 ZINC000092689473 353867952 /nfs/dbraw/zinc/86/79/52/353867952.db2.gz XLHBCYHPRHRXFH-UHFFFAOYSA-N 1 0 316.361 1.694 20 5 DDBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCN(C2CC2)CC1 ZINC000126045319 354049888 /nfs/dbraw/zinc/04/98/88/354049888.db2.gz JJJKVGCRRFHSLG-GFCCVEGCSA-N 1 0 318.377 1.702 20 5 DDBDRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000236772508 202002020 /nfs/dbraw/zinc/00/20/20/202002020.db2.gz VBDMVRGAJASKJA-NSHDSACASA-N 1 0 312.345 1.762 20 5 DDBDRO O=C(NCC1CC[NH+](Cc2cccs2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000145704605 354157641 /nfs/dbraw/zinc/15/76/41/354157641.db2.gz RAUQUTIQQYZGMZ-ZIAGYGMSSA-N 1 0 323.418 1.742 20 5 DDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CC[C@H](O)C(F)F)n1 ZINC000601299414 358484769 /nfs/dbraw/zinc/48/47/69/358484769.db2.gz QQOLGLARIJGSKO-AXFHLTTASA-N 1 0 318.324 1.881 20 5 DDBDRO CN(C(=O)C[N@@H+]1CCC[C@H](CO)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000292896211 354452551 /nfs/dbraw/zinc/45/25/51/354452551.db2.gz ACFNPOSTOPGWTI-ZDUSSCGKSA-N 1 0 321.377 1.652 20 5 DDBDRO CC(C)(C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccs1 ZINC000316651567 354504185 /nfs/dbraw/zinc/50/41/85/354504185.db2.gz WVPWZLCYFXXSOI-LBPRGKRZSA-N 1 0 324.406 1.781 20 5 DDBDRO CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(OC)c2)CC[C@@H]1[NH3+] ZINC000317487936 354511389 /nfs/dbraw/zinc/51/13/89/354511389.db2.gz DNRLRRFAOSZKSI-PWSUYJOCSA-N 1 0 307.350 1.803 20 5 DDBDRO C[C@@H]([NH3+])C[C@H](C)NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000320170352 354525600 /nfs/dbraw/zinc/52/56/00/354525600.db2.gz XHTQQBDZYAARDT-ZJUUUORDSA-N 1 0 301.368 1.140 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2CC[N@H+](CC3CC3)C2)n1 ZINC000587973721 354888061 /nfs/dbraw/zinc/88/80/61/354888061.db2.gz XVYBWTYTNUQCFN-NSHDSACASA-N 1 0 320.349 1.673 20 5 DDBDRO Nc1cc(N2CC[C@@H]([NH+]3CC=CC3)C2)cc(CO)c1[N+](=O)[O-] ZINC000587985951 354888725 /nfs/dbraw/zinc/88/87/25/354888725.db2.gz UAFBLRBNVAYGSV-GFCCVEGCSA-N 1 0 304.350 1.120 20 5 DDBDRO C[C@@H](C[NH+]1CCCCC1)Nc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000587185679 354881937 /nfs/dbraw/zinc/88/19/37/354881937.db2.gz VWQDVVQSUREQNB-NSHDSACASA-N 1 0 308.382 1.956 20 5 DDBDRO CC(C)c1ccc(C(=O)N[C@H](CO)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000588866594 354944585 /nfs/dbraw/zinc/94/45/85/354944585.db2.gz NARHVQDZGOHHHW-LBPRGKRZSA-N 1 0 309.366 1.371 20 5 DDBDRO Cc1c(C(=O)N[C@@H](CO)C[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000588869969 354945251 /nfs/dbraw/zinc/94/52/51/354945251.db2.gz RJRIQKSKXASKPN-GFCCVEGCSA-N 1 0 307.350 1.090 20 5 DDBDRO CC(C)[C@H](CO)C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000588928615 354949464 /nfs/dbraw/zinc/94/94/64/354949464.db2.gz ZOMCXEWGYGIPQX-LBPRGKRZSA-N 1 0 310.350 1.720 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)C[C@H]2CCC[C@H]2O)c1 ZINC000589501228 354996695 /nfs/dbraw/zinc/99/66/95/354996695.db2.gz GMMBCECPNNLSRF-IUODEOHRSA-N 1 0 322.361 1.974 20 5 DDBDRO C[N@@H+]1C[C@H]2CCN(C(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)[C@@H]2C1 ZINC000590044697 355042447 /nfs/dbraw/zinc/04/24/47/355042447.db2.gz MFTWICXGYRRWNP-BXUZGUMPSA-N 1 0 314.345 1.852 20 5 DDBDRO COc1ccc(CC(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000590044224 355042578 /nfs/dbraw/zinc/04/25/78/355042578.db2.gz ISKOCPSNGZIHLT-OCCSQVGLSA-N 1 0 319.361 1.308 20 5 DDBDRO COc1ccc(C(=O)N2CC[C@@H]([NH+](C)C)[C@H]2C)cc1[N+](=O)[O-] ZINC000590402719 355085456 /nfs/dbraw/zinc/08/54/56/355085456.db2.gz GRTUFXIXYJUADT-ZYHUDNBSSA-N 1 0 307.350 1.768 20 5 DDBDRO COC(=O)c1cc(C)nc(N2CC[C@@H]([NH+](C)C)[C@@H]2C)c1[N+](=O)[O-] ZINC000590568141 355115721 /nfs/dbraw/zinc/11/57/21/355115721.db2.gz AZBXAKVCZPKTHY-CMPLNLGQSA-N 1 0 322.365 1.614 20 5 DDBDRO C[N@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)CC(C)(C)CO ZINC000590655940 355138571 /nfs/dbraw/zinc/13/85/71/355138571.db2.gz ZCTMIWALLOAVSV-UHFFFAOYSA-N 1 0 310.350 1.816 20 5 DDBDRO O=[N+]([O-])c1ccc2[nH]c(=N[C@@H]3CC[N@H+](CC4CC4)C3)[nH]c2c1 ZINC000590689625 355148507 /nfs/dbraw/zinc/14/85/07/355148507.db2.gz IXDHXCACWLSAME-LLVKDONJSA-N 1 0 301.350 1.789 20 5 DDBDRO COc1cc(C[NH2+]C[C@@H]2CCCNC2=O)c([N+](=O)[O-])cc1OC ZINC000590971925 355227496 /nfs/dbraw/zinc/22/74/96/355227496.db2.gz WYPHMWIDAVQSGI-JTQLQIEISA-N 1 0 323.349 1.228 20 5 DDBDRO [NH3+][C@H]1CCCO[C@@H]1C1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000591446053 355312720 /nfs/dbraw/zinc/31/27/20/355312720.db2.gz PSWDMIMHKXVKBM-GXTWGEPZSA-N 1 0 306.366 1.713 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2C[C@@H](C)C[C@H](CO)C2)c1 ZINC000591505241 355322126 /nfs/dbraw/zinc/32/21/26/355322126.db2.gz TUHUIZSJGQFRAO-RYUDHWBXSA-N 1 0 322.361 1.832 20 5 DDBDRO COC(=O)c1cc(NC(=O)NC[C@H](C)[NH3+])c(C)c([N+](=O)[O-])c1 ZINC000591301855 355284721 /nfs/dbraw/zinc/28/47/21/355284721.db2.gz WOHVHHHBXIFRLZ-ZETCQYMHSA-N 1 0 310.310 1.159 20 5 DDBDRO Cc1cc(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])ncn1 ZINC000591757392 355378064 /nfs/dbraw/zinc/37/80/64/355378064.db2.gz VWDXBHHBSQLVLN-CYBMUJFWSA-N 1 0 318.333 1.223 20 5 DDBDRO O=C(CC[NH2+]CCn1cc([N+](=O)[O-])cn1)Nc1ccccc1F ZINC000591756648 355378100 /nfs/dbraw/zinc/37/81/00/355378100.db2.gz LZYJSEVJQHMTAJ-UHFFFAOYSA-N 1 0 321.312 1.549 20 5 DDBDRO CCOCC[C@H](O)C[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000591767618 355380828 /nfs/dbraw/zinc/38/08/28/355380828.db2.gz CGEZNIDEWJRDHM-AWEZNQCLSA-N 1 0 321.377 1.996 20 5 DDBDRO CCn1cc(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])cn1 ZINC000591766539 355380833 /nfs/dbraw/zinc/38/08/33/355380833.db2.gz FTBRXXOFBURZOO-CYBMUJFWSA-N 1 0 320.349 1.341 20 5 DDBDRO C[C@H]([NH3+])CNC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000592333587 355561326 /nfs/dbraw/zinc/56/13/26/355561326.db2.gz KYENCCPSUIIWCY-NEPJUHHUSA-N 1 0 320.393 1.908 20 5 DDBDRO C[C@H]1CC2(C[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CCOCC2 ZINC000592183076 355527678 /nfs/dbraw/zinc/52/76/78/355527678.db2.gz QZAUSFSTTUEVCZ-JSGCOSHPSA-N 1 0 324.381 1.043 20 5 DDBDRO C[C@@H]1CC2(C[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O)CCOCC2 ZINC000592184685 355528421 /nfs/dbraw/zinc/52/84/21/355528421.db2.gz SGBIOHBLPJDEMG-CYBMUJFWSA-N 1 0 321.377 1.648 20 5 DDBDRO CN(C(=O)CN1CC[NH2+]CC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000592473616 355592970 /nfs/dbraw/zinc/59/29/70/355592970.db2.gz GUCLIYNLBPOWPI-UHFFFAOYSA-N 1 0 306.366 1.241 20 5 DDBDRO CC[C@@H]1CN(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC[C@@H]1[NH3+] ZINC000592486174 355596054 /nfs/dbraw/zinc/59/60/54/355596054.db2.gz XJUZOVCVKJFZHV-OCCSQVGLSA-N 1 0 320.393 1.901 20 5 DDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000592398813 355575696 /nfs/dbraw/zinc/57/56/96/355575696.db2.gz UNEJWTQSRDMZOS-VHSXEESVSA-N 1 0 315.395 1.561 20 5 DDBDRO C[C@H]([NH3+])[C@H]1CCCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000592427569 355580033 /nfs/dbraw/zinc/58/00/33/355580033.db2.gz CGVIWRPZCDFZAN-RYUDHWBXSA-N 1 0 321.377 1.925 20 5 DDBDRO CN(C(=O)CN1CCCCC[C@@H]([NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC000601324112 358496984 /nfs/dbraw/zinc/49/69/84/358496984.db2.gz IVUOFPXHCODXGJ-CYBMUJFWSA-N 1 0 320.393 1.761 20 5 DDBDRO [NH3+]C1(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)Cc2ccccc2C1 ZINC000592953230 355749990 /nfs/dbraw/zinc/74/99/90/355749990.db2.gz TUAIAOSMFLVGEI-UHFFFAOYSA-N 1 0 323.352 1.980 20 5 DDBDRO COC[C@@H]1C[C@@H](O)C[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000593064987 355784980 /nfs/dbraw/zinc/78/49/80/355784980.db2.gz VLCKHGDNBKUVJI-UONOGXRCSA-N 1 0 323.349 1.005 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1[C@H](C)C[N@H+](C)[C@H](C)[C@H]1C ZINC000593188342 355820491 /nfs/dbraw/zinc/82/04/91/355820491.db2.gz DHWAWRGMLVUYSP-IJLUTSLNSA-N 1 0 323.397 1.429 20 5 DDBDRO CN(CC[NH+]1CCCCC1)c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000593516055 355909885 /nfs/dbraw/zinc/90/98/85/355909885.db2.gz LNWFEZMGBDBDDS-UHFFFAOYSA-N 1 0 307.354 1.011 20 5 DDBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593519675 355912143 /nfs/dbraw/zinc/91/21/43/355912143.db2.gz AOBQPXFRMSGWTM-QMTHXVAHSA-N 1 0 321.352 1.875 20 5 DDBDRO O=C(Cc1ccc(F)cc1[N+](=O)[O-])N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000593455561 355890520 /nfs/dbraw/zinc/89/05/20/355890520.db2.gz WEWXEMXIJMKCMV-CQSZACIVSA-N 1 0 321.352 1.877 20 5 DDBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000593903773 356050793 /nfs/dbraw/zinc/05/07/93/356050793.db2.gz NKBPVTOIBWMHEA-GJZGRUSLSA-N 1 0 319.361 1.620 20 5 DDBDRO O=C([C@H]1CC[C@H](C2CC2)[NH2+]1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000593907787 356053482 /nfs/dbraw/zinc/05/34/82/356053482.db2.gz VWMMVDJLABJJKN-HUUCEWRRSA-N 1 0 316.361 1.405 20 5 DDBDRO [NH3+]CC1(CCNC(=O)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000593913728 356057392 /nfs/dbraw/zinc/05/73/92/356057392.db2.gz DCNWPYJXDSGXDA-UHFFFAOYSA-N 1 0 307.350 1.609 20 5 DDBDRO COc1ccc(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000594106196 356115349 /nfs/dbraw/zinc/11/53/49/356115349.db2.gz QJWSOCSZKQXPRV-KLPPZKSPSA-N 1 0 307.350 1.673 20 5 DDBDRO CN(C(=O)C[N@@H+]1CCCCC[C@H]1CO)c1ccc([N+](=O)[O-])cc1 ZINC000594016621 356089326 /nfs/dbraw/zinc/08/93/26/356089326.db2.gz ANVXTVLFXQWGQQ-HNNXBMFYSA-N 1 0 321.377 1.795 20 5 DDBDRO [NH3+]C[C@@H](NC(=O)CSc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000594450795 356221955 /nfs/dbraw/zinc/22/19/55/356221955.db2.gz TYDBMGKURJPHKC-SECBINFHSA-N 1 0 323.296 1.693 20 5 DDBDRO CCC(C)(C)[NH+]1CCN(C(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC000594389866 356194074 /nfs/dbraw/zinc/19/40/74/356194074.db2.gz PDPKTRYICOFSER-UHFFFAOYSA-N 1 0 309.370 1.275 20 5 DDBDRO C[C@H](CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000594815677 356326375 /nfs/dbraw/zinc/32/63/75/356326375.db2.gz ANALUSKYEOWOTR-SNVBAGLBSA-N 1 0 301.368 1.213 20 5 DDBDRO C[C@@]1(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1(F)F ZINC000594732762 356301070 /nfs/dbraw/zinc/30/10/70/356301070.db2.gz MWHJJMSWZNTFQN-AAEUAGOBSA-N 1 0 316.304 1.969 20 5 DDBDRO O=[N+]([O-])c1ccc(OCC[NH2+]Cc2cnn3c2CCC3)cc1 ZINC000594928409 356357344 /nfs/dbraw/zinc/35/73/44/356357344.db2.gz YMCFLHCQNYHHGG-UHFFFAOYSA-N 1 0 302.334 1.906 20 5 DDBDRO Cn1cc([N+](=O)[O-])c(C(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)n1 ZINC000595225801 356411420 /nfs/dbraw/zinc/41/14/20/356411420.db2.gz OQVZNPZBNYCNRW-RYUDHWBXSA-N 1 0 321.381 1.323 20 5 DDBDRO COc1ccc(CNC(=O)N2CC3CC2(C[NH3+])C3)cc1[N+](=O)[O-] ZINC000595262679 356425374 /nfs/dbraw/zinc/42/53/74/356425374.db2.gz ANEJDLPIYONZDP-UHFFFAOYSA-N 1 0 320.349 1.236 20 5 DDBDRO Cc1noc(C[N@@H+]2C[C@H](O)C[C@@H]2[C@H]2CCCOC2)c1[N+](=O)[O-] ZINC000595528002 356534605 /nfs/dbraw/zinc/53/46/05/356534605.db2.gz PYZVJSDWAHZNQM-QJPTWQEYSA-N 1 0 311.338 1.253 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000595756048 356637713 /nfs/dbraw/zinc/63/77/13/356637713.db2.gz CLCKXVTXSKVLDJ-BLLLJJGKSA-N 1 0 319.361 1.689 20 5 DDBDRO O=C(CC[N@@H+]1CCC2(COC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000595834298 356670107 /nfs/dbraw/zinc/67/01/07/356670107.db2.gz OIIKSTAHCPMVFK-UHFFFAOYSA-N 1 0 305.334 1.646 20 5 DDBDRO COc1cc(C(=O)NCCC[NH3+])c([N+](=O)[O-])cc1OC(F)F ZINC000237085031 202148534 /nfs/dbraw/zinc/14/85/34/202148534.db2.gz CXQUSJOOEIVNJZ-UHFFFAOYSA-N 1 0 319.264 1.283 20 5 DDBDRO [NH3+][C@H]1CCc2ccccc2N(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000595903695 356698926 /nfs/dbraw/zinc/69/89/26/356698926.db2.gz AOHKNTCVSVXLFW-ZDUSSCGKSA-N 1 0 301.350 1.571 20 5 DDBDRO CN(C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000237106967 202156133 /nfs/dbraw/zinc/15/61/33/202156133.db2.gz LWXFOMYXQDEFEY-UHFFFAOYSA-N 1 0 318.377 1.993 20 5 DDBDRO COc1cc(C(=O)NCC23CC(C2)C[NH2+]3)cc([N+](=O)[O-])c1C ZINC000595945944 356717605 /nfs/dbraw/zinc/71/76/05/356717605.db2.gz HFJNVXPZZOCJHN-UHFFFAOYSA-N 1 0 305.334 1.394 20 5 DDBDRO C[C@@]1(NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CC[NH2+]C1 ZINC000595992960 356739230 /nfs/dbraw/zinc/73/92/30/356739230.db2.gz UVFVJXOXLKWXBO-OAHLLOKOSA-N 1 0 316.317 1.330 20 5 DDBDRO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595937152 356712046 /nfs/dbraw/zinc/71/20/46/356712046.db2.gz RXWBZJRTVXHKDF-NSHDSACASA-N 1 0 307.354 1.170 20 5 DDBDRO Nc1ccc(N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)nc1[N+](=O)[O-] ZINC000596014440 356746857 /nfs/dbraw/zinc/74/68/57/356746857.db2.gz QAQANBHIWGNIAY-NWDGAFQWSA-N 1 0 305.382 1.788 20 5 DDBDRO CCCN(CCC[NH+](C)C)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000189264155 283224109 /nfs/dbraw/zinc/22/41/09/283224109.db2.gz DSAWJIXAEFGBHX-UHFFFAOYSA-N 1 0 308.382 1.981 20 5 DDBDRO C[N@@H+]1CCC[C@@H]2CN(c3ccc([N+](=O)[O-])c(C(N)=O)c3)CC[C@@H]21 ZINC000596170407 356800951 /nfs/dbraw/zinc/80/09/51/356800951.db2.gz ZLDJJQKPHSKJST-RISCZKNCSA-N 1 0 318.377 1.614 20 5 DDBDRO CS[C@H]1CN(c2ccc(N)c([N+](=O)[O-])n2)C[C@@H]1[NH+]1CCCC1 ZINC000596194927 356809421 /nfs/dbraw/zinc/80/94/21/356809421.db2.gz IHJJXTPRKLLWGV-RYUDHWBXSA-N 1 0 323.422 1.588 20 5 DDBDRO NC(=O)c1cc(N2CC[NH+](C3CCC3)CC2)ccc1[N+](=O)[O-] ZINC000596126156 356783670 /nfs/dbraw/zinc/78/36/70/356783670.db2.gz IMZLPIIWXIBOQO-UHFFFAOYSA-N 1 0 304.350 1.368 20 5 DDBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNc2ncc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000596309369 356853424 /nfs/dbraw/zinc/85/34/24/356853424.db2.gz ZWZQPMFAGLRANO-JTQLQIEISA-N 1 0 321.381 1.621 20 5 DDBDRO [NH3+]CCN(Cc1cnn2c1CCC2)c1ccccc1[N+](=O)[O-] ZINC000597128603 357067537 /nfs/dbraw/zinc/06/75/37/357067537.db2.gz XGCFGUPDJYPFCP-UHFFFAOYSA-N 1 0 301.350 1.703 20 5 DDBDRO CNc1ccc(C(=O)NCC23CCC[NH+]2CCC3)cc1[N+](=O)[O-] ZINC000597586643 357240022 /nfs/dbraw/zinc/24/00/22/357240022.db2.gz FLYLSCYEDUJTNB-UHFFFAOYSA-N 1 0 318.377 1.995 20 5 DDBDRO CCc1n[nH]c(C(=O)N2CCC3(C2)CC[NH+](C)CC3)c1[N+](=O)[O-] ZINC000597666646 357275680 /nfs/dbraw/zinc/27/56/80/357275680.db2.gz LHXMSXQJSQXPAX-UHFFFAOYSA-N 1 0 321.381 1.438 20 5 DDBDRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000597925366 357385028 /nfs/dbraw/zinc/38/50/28/357385028.db2.gz NVQHULWRXQKFFS-GFCCVEGCSA-N 1 0 321.377 1.963 20 5 DDBDRO COc1cc(C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000237272991 202212881 /nfs/dbraw/zinc/21/28/81/202212881.db2.gz JFLDRBOBYYJEPY-NEPJUHHUSA-N 1 0 307.350 1.851 20 5 DDBDRO O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000598218487 357497297 /nfs/dbraw/zinc/49/72/97/357497297.db2.gz GFYIFECFMIPLJL-GFCCVEGCSA-N 1 0 321.381 1.315 20 5 DDBDRO CCC[N@@H+]1CC[C@@H](NC(=O)CCn2cc([N+](=O)[O-])nc2C)C1 ZINC000598341378 357543877 /nfs/dbraw/zinc/54/38/77/357543877.db2.gz ADCAFGLKQWERSU-GFCCVEGCSA-N 1 0 309.370 1.090 20 5 DDBDRO C[NH+](C)CCC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CCO1 ZINC000598541546 357627462 /nfs/dbraw/zinc/62/74/62/357627462.db2.gz VHBVKLZVSVIBSP-LLVKDONJSA-N 1 0 310.354 1.106 20 5 DDBDRO C[NH2+]C1(CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CCC1 ZINC000598632253 357662573 /nfs/dbraw/zinc/66/25/73/357662573.db2.gz CCXLZJNXUWONDP-UHFFFAOYSA-N 1 0 313.379 1.552 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)c1 ZINC000598670172 357679202 /nfs/dbraw/zinc/67/92/02/357679202.db2.gz RIUXWQLWZPXMBI-MEBBXXQBSA-N 1 0 305.334 1.557 20 5 DDBDRO COc1ccc(CC(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)cc1[N+](=O)[O-] ZINC000598671099 357679708 /nfs/dbraw/zinc/67/97/08/357679708.db2.gz YQNLAMCCDKSCAE-LRDDRELGSA-N 1 0 319.361 1.486 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000276772764 213100923 /nfs/dbraw/zinc/10/09/23/213100923.db2.gz SZKXKGPPXZOUMH-UHFFFAOYSA-N 1 0 323.397 1.338 20 5 DDBDRO O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000598916314 357757696 /nfs/dbraw/zinc/75/76/96/357757696.db2.gz XTMGUBIVIAKQMU-BXKDBHETSA-N 1 0 308.313 1.950 20 5 DDBDRO CCn1nncc1CNCc1cc(OC)c(O)cc1[N+](=O)[O-] ZINC000598985206 357783929 /nfs/dbraw/zinc/78/39/29/357783929.db2.gz CEOFDPYAAZKXFZ-UHFFFAOYSA-N 1 0 307.310 1.210 20 5 DDBDRO CCOc1cc(C[N@H+](C)[C@H]2C[C@@H](C(N)=O)C2)ccc1[N+](=O)[O-] ZINC000599651376 358008329 /nfs/dbraw/zinc/00/83/29/358008329.db2.gz GLHYKGCNFYALPO-TXEJJXNPSA-N 1 0 307.350 1.689 20 5 DDBDRO C[C@@H](NC(=O)N(C)CCOCC[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000599906320 358078082 /nfs/dbraw/zinc/07/80/82/358078082.db2.gz BJEWLOLDWXLOAB-LLVKDONJSA-N 1 0 310.354 1.273 20 5 DDBDRO CC(C)(NC(=O)NC[C@@H]1COCC[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC000599932288 358084003 /nfs/dbraw/zinc/08/40/03/358084003.db2.gz QXSDPCTUOPRBLF-GFCCVEGCSA-N 1 0 322.365 1.118 20 5 DDBDRO CSc1ccc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)cc1[N+](=O)[O-] ZINC000599988473 358097158 /nfs/dbraw/zinc/09/71/58/358097158.db2.gz FKBPRWMITLEOIB-YABSGUDNSA-N 1 0 321.402 1.949 20 5 DDBDRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)Cc3ccc(F)cc3[N+](=O)[O-])C[C@H]21 ZINC000599991978 358098021 /nfs/dbraw/zinc/09/80/21/358098021.db2.gz OMTDADYCGUQEGY-JYAVWHMHSA-N 1 0 307.325 1.295 20 5 DDBDRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000237322011 202231636 /nfs/dbraw/zinc/23/16/36/202231636.db2.gz HYRDKEZIGNZMNB-BDAKNGLRSA-N 1 0 310.329 1.516 20 5 DDBDRO CNc1ccc(C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1[N+](=O)[O-] ZINC000565537361 304074696 /nfs/dbraw/zinc/07/46/96/304074696.db2.gz DSAUUKPVUXGESV-RWMBFGLXSA-N 1 0 318.377 1.836 20 5 DDBDRO COc1ccc(C(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000237353407 202242070 /nfs/dbraw/zinc/24/20/70/202242070.db2.gz SNXAXQUXQOAUSU-GWCFXTLKSA-N 1 0 307.350 1.803 20 5 DDBDRO C[C@@H]1[NH2+]CC[C@H]1N[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000600712894 358291392 /nfs/dbraw/zinc/29/13/92/358291392.db2.gz CJGTZRJSCUAJHE-NILFDRSVSA-N 1 0 315.377 1.758 20 5 DDBDRO CCN(CC[NH3+])CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000600718066 358294117 /nfs/dbraw/zinc/29/41/17/358294117.db2.gz VDFHWJWLWFKZIH-UHFFFAOYSA-N 1 0 310.354 1.213 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H]1CO[C@H](C2CC2)C1 ZINC000600759491 358309743 /nfs/dbraw/zinc/30/97/43/358309743.db2.gz ZNVKKOGIDTZNNF-IOASZLSFSA-N 1 0 322.361 1.492 20 5 DDBDRO CC[NH+]1CCN([C@@H]2CCN(c3ncc(F)cc3[N+](=O)[O-])C2)CC1 ZINC000601112982 358405947 /nfs/dbraw/zinc/40/59/47/358405947.db2.gz JCDYLIQKKDOIAO-CYBMUJFWSA-N 1 0 323.372 1.345 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000280705261 215806704 /nfs/dbraw/zinc/80/67/04/215806704.db2.gz ISWGOMXRJUYGSB-OAHLLOKOSA-N 1 0 320.349 1.039 20 5 DDBDRO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CCC[C@@H]1C[NH+](C)C ZINC000601127427 358413547 /nfs/dbraw/zinc/41/35/47/358413547.db2.gz GHIOEKZEXONZKA-MRVPVSSYSA-N 1 0 321.303 1.878 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC([NH+]2CCCC2)C1 ZINC000601193899 358441383 /nfs/dbraw/zinc/44/13/83/358441383.db2.gz ROLYIIKNOGUXTO-UHFFFAOYSA-N 1 0 319.361 1.974 20 5 DDBDRO COc1cccc(C(=O)N2CCC[C@@H]3C[NH2+]CC[C@@H]32)c1[N+](=O)[O-] ZINC000601553583 358598857 /nfs/dbraw/zinc/59/88/57/358598857.db2.gz OSYPCVIVWNYGKE-YPMHNXCESA-N 1 0 319.361 1.818 20 5 DDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000601554907 358599242 /nfs/dbraw/zinc/59/92/42/358599242.db2.gz AVPICYKOMSFZFL-ZFWWWQNUSA-N 1 0 303.362 1.738 20 5 DDBDRO [NH3+]C[C@H]1CCN(CCn2ccc([N+](=O)[O-])n2)c2ccccc21 ZINC000601963832 358755953 /nfs/dbraw/zinc/75/59/53/358755953.db2.gz NWBPITZADBRRMO-GFCCVEGCSA-N 1 0 301.350 1.744 20 5 DDBDRO CN1CCCC[C@H]([N@H+](C)CCOc2cccc([N+](=O)[O-])c2)C1=O ZINC000601970793 358759247 /nfs/dbraw/zinc/75/92/47/358759247.db2.gz QAJUUATZNRONTQ-HNNXBMFYSA-N 1 0 321.377 1.916 20 5 DDBDRO CC[C@@H](COC)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602549398 359039751 /nfs/dbraw/zinc/03/97/51/359039751.db2.gz CPJBAIJKBUEYGU-LBPRGKRZSA-N 1 0 308.382 1.973 20 5 DDBDRO O=C(NC[C@@H]1COCC[NH2+]1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000602551487 359041738 /nfs/dbraw/zinc/04/17/38/359041738.db2.gz OLJBMOZZWLEWDG-CYBMUJFWSA-N 1 0 319.361 1.121 20 5 DDBDRO CCOC(=O)CC[N@@H+](Cc1cn(C)nc1[N+](=O)[O-])CC1CC1 ZINC000602450909 358984721 /nfs/dbraw/zinc/98/47/21/358984721.db2.gz LQUYBSQNVLFXDK-UHFFFAOYSA-N 1 0 310.354 1.494 20 5 DDBDRO Cn1cc(CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c([N+](=O)[O-])n1 ZINC000602488145 359012269 /nfs/dbraw/zinc/01/22/69/359012269.db2.gz SKAOFMDZLPETNX-HZSPNIEDSA-N 1 0 323.397 1.012 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@@H]3CCOC3)CC2)cn1 ZINC000602510071 359019887 /nfs/dbraw/zinc/01/98/87/359019887.db2.gz IYDOWSOABARRSZ-LBPRGKRZSA-N 1 0 306.366 1.585 20 5 DDBDRO CO[C@@]1(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CCOC1 ZINC000602615931 359075495 /nfs/dbraw/zinc/07/54/95/359075495.db2.gz GCIBNHNVTOOJEZ-CQSZACIVSA-N 1 0 307.306 1.631 20 5 DDBDRO Cn1cc(C[N@@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)c([N+](=O)[O-])n1 ZINC000602669475 359115323 /nfs/dbraw/zinc/11/53/23/359115323.db2.gz XOAODBILAHYYAQ-STQMWFEESA-N 1 0 308.382 1.967 20 5 DDBDRO O=C(c1ccc([N+](=O)[O-])o1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000602584062 359055870 /nfs/dbraw/zinc/05/58/70/359055870.db2.gz XSBBKOVTPPPCQQ-GFCCVEGCSA-N 1 0 323.349 1.419 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@](C)(CO)c1ccccc1 ZINC000602775655 359181668 /nfs/dbraw/zinc/18/16/68/359181668.db2.gz LODLMNCJQIEJJQ-OAHLLOKOSA-N 1 0 304.350 1.597 20 5 DDBDRO C[C@H]1CN(CCO)CCN1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602687451 359125960 /nfs/dbraw/zinc/12/59/60/359125960.db2.gz WMROOACAHWDTER-NSHDSACASA-N 1 0 320.349 1.234 20 5 DDBDRO Cc1c(C[NH+]2C[C@@]3(C)C(=O)NC(=O)[C@]3(C)C2)cccc1[N+](=O)[O-] ZINC000602726434 359151540 /nfs/dbraw/zinc/15/15/40/359151540.db2.gz WQMCXADCVWAZBL-HOTGVXAUSA-N 1 0 317.345 1.388 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000602841123 359229740 /nfs/dbraw/zinc/22/97/40/359229740.db2.gz MZGUCXZOGXSYFV-IACUBPJLSA-N 1 0 306.366 1.647 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CCN1CCC2(CCC[N@H+]2C)CC1 ZINC000602801060 359201535 /nfs/dbraw/zinc/20/15/35/359201535.db2.gz ZEVHXBSCRDZPDM-UHFFFAOYSA-N 1 0 307.398 1.660 20 5 DDBDRO CC[N@H+]1[C@H](C)CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H]1C ZINC000602874811 359257558 /nfs/dbraw/zinc/25/75/58/359257558.db2.gz RXDOQPQAVRNISH-TXEJJXNPSA-N 1 0 320.393 1.608 20 5 DDBDRO CCOc1cc(C[N@@H+]2C[C@H](O)C[C@]2(C)CO)ccc1[N+](=O)[O-] ZINC000602901551 359283458 /nfs/dbraw/zinc/28/34/58/359283458.db2.gz ZZASTAKXRNCCNN-IUODEOHRSA-N 1 0 310.350 1.311 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@@H]1CCCn2nccc21 ZINC000603028327 359369519 /nfs/dbraw/zinc/36/95/19/359369519.db2.gz DQLDYKYCUWNPEQ-GFCCVEGCSA-N 1 0 303.322 1.078 20 5 DDBDRO CN(CC[N@H+](C)C1CC1)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000186782832 200009403 /nfs/dbraw/zinc/00/94/03/200009403.db2.gz XOESCZNWQSUUFI-UHFFFAOYSA-N 1 0 306.366 1.559 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1NC1CC[NH+](C2CCOCC2)CC1 ZINC000603407250 359621725 /nfs/dbraw/zinc/62/17/25/359621725.db2.gz BYOPGSAVDWEFDE-UHFFFAOYSA-N 1 0 309.370 1.384 20 5 DDBDRO COC(=O)c1ccnc(N[C@H]2C[C@@H]([NH+](C)C)C2(C)C)c1[N+](=O)[O-] ZINC000603408462 359622615 /nfs/dbraw/zinc/62/26/15/359622615.db2.gz XRYZGOMXWWKEEP-WDEREUQCSA-N 1 0 322.365 1.917 20 5 DDBDRO CC(C)(C)[NH+]1CCC(NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000186982891 200043255 /nfs/dbraw/zinc/04/32/55/200043255.db2.gz HYLXSUZKKGPQMW-UHFFFAOYSA-N 1 0 322.365 1.688 20 5 DDBDRO O=[N+]([O-])c1cnc(N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccccc2)nc1 ZINC000603417404 359627026 /nfs/dbraw/zinc/62/70/26/359627026.db2.gz YVAIIMLCFCNJMH-KBPBESRZSA-N 1 0 311.345 1.848 20 5 DDBDRO Cn1cc(CN2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c([N+](=O)[O-])n1 ZINC000603430807 359634990 /nfs/dbraw/zinc/63/49/90/359634990.db2.gz VAKBWAAXQAJUND-PSASIEDQSA-N 1 0 321.303 1.287 20 5 DDBDRO Cn1cc(CN2CCc3ccccc3[C@H]2C[NH3+])c([N+](=O)[O-])n1 ZINC000603428594 359635112 /nfs/dbraw/zinc/63/51/12/359635112.db2.gz KDCMRKLFVQNFBW-CQSZACIVSA-N 1 0 301.350 1.386 20 5 DDBDRO Cc1ccc(C[NH2+]CCCN(C)S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000603633186 359669075 /nfs/dbraw/zinc/66/90/75/359669075.db2.gz KLKQGHOBMOMEDR-UHFFFAOYSA-N 1 0 315.395 1.274 20 5 DDBDRO CSC[C@H](O)C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000187731558 200150382 /nfs/dbraw/zinc/15/03/82/200150382.db2.gz QIZRKTDRVAKXRA-CQSZACIVSA-N 1 0 311.407 1.441 20 5 DDBDRO Cc1nn(CCC(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])c(C)c1[N+](=O)[O-] ZINC000237533960 202272905 /nfs/dbraw/zinc/27/29/05/202272905.db2.gz HCLGMHLLHXSNLB-GXFFZTMASA-N 1 0 323.397 1.527 20 5 DDBDRO CCN(CCC[NH+](CC)CC)C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000188058301 200187016 /nfs/dbraw/zinc/18/70/16/200187016.db2.gz YPCTZNHOYHUFLB-UHFFFAOYSA-N 1 0 324.381 1.889 20 5 DDBDRO COc1cc(C[NH2+]C[C@@H]2CC[C@H](O)C2)c([N+](=O)[O-])cc1OC ZINC000188836554 200309536 /nfs/dbraw/zinc/30/95/36/200309536.db2.gz IZJOCZYUPDMLSO-PWSUYJOCSA-N 1 0 310.350 1.863 20 5 DDBDRO O=C(Cn1cc([N+](=O)[O-])cn1)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000608899537 360251559 /nfs/dbraw/zinc/25/15/59/360251559.db2.gz AGYQNVSMUYNIAF-UHFFFAOYSA-N 1 0 313.277 1.011 20 5 DDBDRO C[N@@H+]1CCC[C@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000609257965 360278680 /nfs/dbraw/zinc/27/86/80/360278680.db2.gz XYBHVQZVGCUKFM-VIFPVBQESA-N 1 0 307.306 1.148 20 5 DDBDRO COCC[N@@H+]1CCC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2C)C1 ZINC000609269840 360285384 /nfs/dbraw/zinc/28/53/84/360285384.db2.gz YDDLJIYVPZJVJP-ZDUSSCGKSA-N 1 0 321.377 1.744 20 5 DDBDRO CC(C)[NH2+][C@@H]1CCCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000609595534 360331084 /nfs/dbraw/zinc/33/10/84/360331084.db2.gz MZJXLHMAJQSHMI-GFCCVEGCSA-N 1 0 306.366 1.661 20 5 DDBDRO CC[N@@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C[C@H]1CCOC1 ZINC000609631760 360339895 /nfs/dbraw/zinc/33/98/95/360339895.db2.gz VPCPNGQEWWRJNU-CYBMUJFWSA-N 1 0 321.377 1.916 20 5 DDBDRO C[C@@H]1CC[N@H+](C)CCN1C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000609584797 360329086 /nfs/dbraw/zinc/32/90/86/360329086.db2.gz IWBWVYPYXQCXTN-SNVBAGLBSA-N 1 0 321.333 1.490 20 5 DDBDRO C[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C[C@@H](O)C1CC1 ZINC000610572866 360473618 /nfs/dbraw/zinc/47/36/18/360473618.db2.gz PCWYNLYEAVHLFY-DZGCQCFKSA-N 1 0 310.350 1.037 20 5 DDBDRO CCC[NH+]1CCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000611249328 360678788 /nfs/dbraw/zinc/67/87/88/360678788.db2.gz DILDMVVGWNGAEP-UHFFFAOYSA-N 1 0 321.377 1.894 20 5 DDBDRO O=[N+]([O-])c1cnc2ccc(N3CC[NH+](C4CCC4)CC3)nn21 ZINC000611240859 360676125 /nfs/dbraw/zinc/67/61/25/360676125.db2.gz KCNUOXWLIQHBHT-UHFFFAOYSA-N 1 0 302.338 1.312 20 5 DDBDRO CC[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C[C@H]1CCOC1 ZINC000612059420 360903997 /nfs/dbraw/zinc/90/39/97/360903997.db2.gz RSACOTZNVOHBFT-KGLIPLIRSA-N 1 0 324.377 1.693 20 5 DDBDRO O=c1ccccn1CCN1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000612468219 361031058 /nfs/dbraw/zinc/03/10/58/361031058.db2.gz WQGMIKMUQARMTO-UHFFFAOYSA-N 1 0 300.318 1.210 20 5 DDBDRO CO[C@]1(C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CCOC1 ZINC000613108148 361270424 /nfs/dbraw/zinc/27/04/24/361270424.db2.gz LZNCJOSJQQMBAL-HNNXBMFYSA-N 1 0 324.333 1.261 20 5 DDBDRO CCN1CC[NH+](C[C@H](C)CNc2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000193389463 201043103 /nfs/dbraw/zinc/04/31/03/201043103.db2.gz LJCNPWNMZRQJME-CYBMUJFWSA-N 1 0 321.425 1.863 20 5 DDBDRO COc1cccc(C(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c1[N+](=O)[O-] ZINC000618875008 363781502 /nfs/dbraw/zinc/78/15/02/363781502.db2.gz UGYXEYOVXGPKHI-PHIMTYICSA-N 1 0 305.334 1.237 20 5 DDBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195259121 201367773 /nfs/dbraw/zinc/36/77/73/201367773.db2.gz VTBONLKAPJXBAW-TXEJJXNPSA-N 1 0 305.334 1.042 20 5 DDBDRO O=[N+]([O-])c1cccc(CN2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000195198595 201358806 /nfs/dbraw/zinc/35/88/06/201358806.db2.gz RRGVGUMAVNWAEA-HNNXBMFYSA-N 1 0 305.378 1.749 20 5 DDBDRO COc1c(C(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000619450048 364017170 /nfs/dbraw/zinc/01/71/70/364017170.db2.gz HUDLJPNBUHETGI-PHIMTYICSA-N 1 0 305.334 1.237 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000619451589 364018638 /nfs/dbraw/zinc/01/86/38/364018638.db2.gz ALZSESQQHMBLKT-UHFFFAOYSA-N 1 0 307.354 1.075 20 5 DDBDRO Cc1cc([C@@H](C)[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)ccc1F ZINC000271829090 209249892 /nfs/dbraw/zinc/24/98/92/209249892.db2.gz WIYMFCIDTLFXLO-BXUZGUMPSA-N 1 0 322.340 1.951 20 5 DDBDRO Cc1cc(S(=O)(=O)NCCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000293196148 223440410 /nfs/dbraw/zinc/44/04/10/223440410.db2.gz ZCBVZWQWQORNPP-UHFFFAOYSA-N 1 0 301.368 1.133 20 5 DDBDRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000275177020 212173518 /nfs/dbraw/zinc/17/35/18/212173518.db2.gz VNZRDGDIWGEZQL-SMDDNHRTSA-N 1 0 305.378 1.987 20 5 DDBDRO Cc1ccc(C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)cc1[N+](=O)[O-] ZINC000261816778 203124391 /nfs/dbraw/zinc/12/43/91/203124391.db2.gz GWYYBJKUOWJGAH-CQSZACIVSA-N 1 0 318.377 1.023 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000261878310 203141425 /nfs/dbraw/zinc/14/14/25/203141425.db2.gz TVLZBJIDJSOEOP-CMPLNLGQSA-N 1 0 309.370 1.076 20 5 DDBDRO COc1cc(C(=O)N2CC[C@H](C)C[C@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000262514320 203315092 /nfs/dbraw/zinc/31/50/92/203315092.db2.gz NFHBLRSAPHUTAX-JQWIXIFHSA-N 1 0 307.350 1.803 20 5 DDBDRO CC(C)(C[NH3+])NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000262551754 203326686 /nfs/dbraw/zinc/32/66/86/203326686.db2.gz SFRMZILZGYHDNL-UHFFFAOYSA-N 1 0 303.322 1.248 20 5 DDBDRO [NH3+]CCCOC1CCN(C(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000094071257 193343298 /nfs/dbraw/zinc/34/32/98/193343298.db2.gz DAGKYEUDSYTCAM-UHFFFAOYSA-N 1 0 313.379 1.626 20 5 DDBDRO CCCc1n[nH]c(C(=O)NCC[N@H+](CC)C2CC2)c1[N+](=O)[O-] ZINC000264649479 204053845 /nfs/dbraw/zinc/05/38/45/204053845.db2.gz DXNVZELMKTUDGG-UHFFFAOYSA-N 1 0 309.370 1.485 20 5 DDBDRO C[C@H]([NH2+]CC1(OCCO)CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000282728164 217205774 /nfs/dbraw/zinc/20/57/74/217205774.db2.gz MJWIPSOJMNDENV-ZDUSSCGKSA-N 1 0 324.377 1.804 20 5 DDBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)C(=O)NCCF ZINC000282750708 217224395 /nfs/dbraw/zinc/22/43/95/217224395.db2.gz NTERRHPYADZKCL-NEPJUHHUSA-N 1 0 311.357 1.980 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCN(CC[NH+](C)C)CC2)c1 ZINC000266020549 205032923 /nfs/dbraw/zinc/03/29/23/205032923.db2.gz JSGPWUKQVGNDAD-UHFFFAOYSA-N 1 0 320.393 1.223 20 5 DDBDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000266268664 205226574 /nfs/dbraw/zinc/22/65/74/205226574.db2.gz AZILPVGSHVAWJW-WOPDTQHZSA-N 1 0 307.350 1.936 20 5 DDBDRO Cc1c(C(=O)N2CC[C@@H]([NH3+])C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000160273940 197396601 /nfs/dbraw/zinc/39/66/01/197396601.db2.gz MKUIDCKAMJROQQ-SECBINFHSA-N 1 0 308.294 1.293 20 5 DDBDRO CN1CC[NH2+]C[C@H]1CNc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000394820513 307295804 /nfs/dbraw/zinc/29/58/04/307295804.db2.gz UBZWVYRHORHCMP-QMMMGPOBSA-N 1 0 319.287 1.324 20 5 DDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[NH2+][C@@H](C)[C@@H]1C ZINC000262741497 291600757 /nfs/dbraw/zinc/60/07/57/291600757.db2.gz CHQOIWJCQSWVSN-QWRGUYRKSA-N 1 0 313.379 1.274 20 5 DDBDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000042723100 183302216 /nfs/dbraw/zinc/30/22/16/183302216.db2.gz LKYZHXXKETWFFO-LBPRGKRZSA-N 1 0 309.370 1.172 20 5 DDBDRO O=C(CC[N@H+]1CC[C@](F)(CO)C1)Nc1ccccc1[N+](=O)[O-] ZINC000338587152 250042723 /nfs/dbraw/zinc/04/27/23/250042723.db2.gz IGMGFEOVSRQURM-CQSZACIVSA-N 1 0 311.313 1.330 20 5 DDBDRO COCCN(CC[NH+](C)C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000104977026 194061180 /nfs/dbraw/zinc/06/11/80/194061180.db2.gz HKUMYRNROPDGST-UHFFFAOYSA-N 1 0 324.381 1.945 20 5 DDBDRO CC[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C[C@@H](C)O ZINC000105825353 194137514 /nfs/dbraw/zinc/13/75/14/194137514.db2.gz ZLMUXWNHUOOKLZ-UKRRQHHQSA-N 1 0 307.394 1.872 20 5 DDBDRO Cc1ccc(C[NH2+]C[C@H]2CN(C3CC3)CCO2)cc1[N+](=O)[O-] ZINC000106379924 194203329 /nfs/dbraw/zinc/20/33/29/194203329.db2.gz CAPBBKPBVSPGMX-HNNXBMFYSA-N 1 0 305.378 1.856 20 5 DDBDRO CCc1nn(C)c(N2C[C@@H]([NH+](C)C)[C@@H](SC)C2)c1[N+](=O)[O-] ZINC000340753730 251194256 /nfs/dbraw/zinc/19/42/56/251194256.db2.gz MNYDTHMSHUQLOI-MNOVXSKESA-N 1 0 313.427 1.373 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)NCCC[NH+]1CCCC1 ZINC000061547825 184174846 /nfs/dbraw/zinc/17/48/46/184174846.db2.gz MGRLQXNGNNCFRW-UHFFFAOYSA-N 1 0 307.350 1.576 20 5 DDBDRO C[C@H]1C[C@@H](O)C[N@@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000340921067 251277950 /nfs/dbraw/zinc/27/79/50/251277950.db2.gz XLEBANITEIXGNR-CMPLNLGQSA-N 1 0 321.333 1.348 20 5 DDBDRO C[NH2+][C@H]1CCN(C(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)C1 ZINC000269135051 207265883 /nfs/dbraw/zinc/26/58/83/207265883.db2.gz QERLCXVSHKRHSR-JTQLQIEISA-N 1 0 309.322 1.046 20 5 DDBDRO COc1ccc(CNC(=O)[C@]2(C)CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000269363327 207486924 /nfs/dbraw/zinc/48/69/24/207486924.db2.gz UQFXNFUPQSWIRY-OAHLLOKOSA-N 1 0 307.350 1.609 20 5 DDBDRO CCC[N@H+](CCO)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000117335523 194815326 /nfs/dbraw/zinc/81/53/26/194815326.db2.gz TVEKBXFCDNQSJE-UHFFFAOYSA-N 1 0 323.349 1.597 20 5 DDBDRO COC(=O)[C@@](C)(O)C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451547223 533095537 /nfs/dbraw/zinc/09/55/37/533095537.db2.gz KOXZQPCGCBWWTQ-CJNGLKHVSA-N 1 0 322.361 1.698 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@H](C[NH3+])C1 ZINC000430645523 533137802 /nfs/dbraw/zinc/13/78/02/533137802.db2.gz UZSUNUAPURZKFP-LLVKDONJSA-N 1 0 322.365 1.213 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1O ZINC000352660392 285204723 /nfs/dbraw/zinc/20/47/23/285204723.db2.gz NUEHBPXFQUBLAS-DGCLKSJQSA-N 1 0 307.350 1.687 20 5 DDBDRO O=C(c1n[nH]cc1[N+](=O)[O-])N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000120702360 195219126 /nfs/dbraw/zinc/21/91/26/195219126.db2.gz ZSQGOVOJFQXVTF-LLVKDONJSA-N 1 0 307.354 1.266 20 5 DDBDRO COc1cc(C[N@H+](C)C[C@H]2CCN(C(C)=O)C2)ccc1[N+](=O)[O-] ZINC000352765925 285286085 /nfs/dbraw/zinc/28/60/85/285286085.db2.gz APMYHTHAQWMQFV-CQSZACIVSA-N 1 0 321.377 1.904 20 5 DDBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000352783387 285298420 /nfs/dbraw/zinc/29/84/20/285298420.db2.gz XYLTUYKSUSAAAS-WDEREUQCSA-N 1 0 309.341 1.827 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000289655730 221133234 /nfs/dbraw/zinc/13/32/34/221133234.db2.gz IKDURNUBGOSGNC-QWRGUYRKSA-N 1 0 305.334 1.285 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CCCn1cc(CO)nn1 ZINC000289743490 221196549 /nfs/dbraw/zinc/19/65/49/221196549.db2.gz GYIXYXCGASUHPG-UHFFFAOYSA-N 1 0 305.338 1.167 20 5 DDBDRO C[C@H]([NH2+]CCCn1cc(CO)nn1)c1cccc([N+](=O)[O-])c1 ZINC000289791686 221228504 /nfs/dbraw/zinc/22/85/04/221228504.db2.gz NHSBACRDQMBIPJ-NSHDSACASA-N 1 0 305.338 1.420 20 5 DDBDRO CO[C@@H]1C[C@@H]([N@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C12CCC2 ZINC000451836353 533530580 /nfs/dbraw/zinc/53/05/80/533530580.db2.gz BMXPNAAKLHINKJ-BFHYXJOUSA-N 1 0 324.381 1.042 20 5 DDBDRO Cc1n[nH]c(C(=O)N2CC[NH+](C3CCCC3)CC2)c1[N+](=O)[O-] ZINC000299533516 533660285 /nfs/dbraw/zinc/66/02/85/533660285.db2.gz MNTLRGMZDHUUPX-UHFFFAOYSA-N 1 0 307.354 1.327 20 5 DDBDRO C[C@@H]1C[C@@H](O)C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000452072015 533673372 /nfs/dbraw/zinc/67/33/72/533673372.db2.gz TWVVAQHRBWQYIP-UPJWGTAASA-N 1 0 310.350 1.037 20 5 DDBDRO CC(C)(CO)CC[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000569971898 304388511 /nfs/dbraw/zinc/38/85/11/304388511.db2.gz OMQWPXONQLSWRK-LBPRGKRZSA-N 1 0 312.366 1.333 20 5 DDBDRO CC(C)(CO)CC[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000569971897 304388561 /nfs/dbraw/zinc/38/85/61/304388561.db2.gz OMQWPXONQLSWRK-GFCCVEGCSA-N 1 0 312.366 1.333 20 5 DDBDRO CCOc1cc(C(=O)NC[C@@H]2CCC[NH2+]2)c([N+](=O)[O-])cc1OC ZINC000178728359 407567623 /nfs/dbraw/zinc/56/76/23/407567623.db2.gz RGYIBFBMKBOKRX-JTQLQIEISA-N 1 0 323.349 1.484 20 5 DDBDRO C[N@@H+]1CC[C@@H](CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000037647823 406992321 /nfs/dbraw/zinc/99/23/21/406992321.db2.gz XRGUUUNRYZGTAI-JTQLQIEISA-N 1 0 313.379 1.362 20 5 DDBDRO CC[NH+](CC)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000060992223 407227321 /nfs/dbraw/zinc/22/73/21/407227321.db2.gz ZFEXSGFGZVLWAK-UHFFFAOYSA-N 1 0 320.393 1.585 20 5 DDBDRO CN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@H]1CCOC1 ZINC000106879718 407364004 /nfs/dbraw/zinc/36/40/04/407364004.db2.gz OHXOEHQTCPNIGI-LBPRGKRZSA-N 1 0 304.306 1.866 20 5 DDBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000124644699 407365191 /nfs/dbraw/zinc/36/51/91/407365191.db2.gz DNLMFGOGOQEGFI-LLVKDONJSA-N 1 0 307.354 1.938 20 5 DDBDRO C[C@H]1C[NH2+]CCN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000125824246 407398945 /nfs/dbraw/zinc/39/89/45/407398945.db2.gz MPRGGSROWVRNAE-JTQLQIEISA-N 1 0 304.350 1.603 20 5 DDBDRO CC[C@@H]([NH3+])CNS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000111304545 407406855 /nfs/dbraw/zinc/40/68/55/407406855.db2.gz GRQKGHGPAKKFRP-MRVPVSSYSA-N 1 0 321.786 1.572 20 5 DDBDRO CC[C@H]([NH3+])CNS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000111304542 407407092 /nfs/dbraw/zinc/40/70/92/407407092.db2.gz GRQKGHGPAKKFRP-QMMMGPOBSA-N 1 0 321.786 1.572 20 5 DDBDRO CCC1(CO)CC[NH+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000128001182 407487233 /nfs/dbraw/zinc/48/72/33/407487233.db2.gz HMOJEANZSCDLRB-UHFFFAOYSA-N 1 0 321.377 1.678 20 5 DDBDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000185802932 407507689 /nfs/dbraw/zinc/50/76/89/407507689.db2.gz JHLOCUNSEWBDMT-MNOVXSKESA-N 1 0 308.338 1.298 20 5 DDBDRO COC[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000265794799 407455498 /nfs/dbraw/zinc/45/54/98/407455498.db2.gz MYMBIOUOXNCPSH-RYUDHWBXSA-N 1 0 307.350 1.890 20 5 DDBDRO C[C@H](C[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000266541454 407551507 /nfs/dbraw/zinc/55/15/07/407551507.db2.gz QCHAPEJHYKOPMU-CJNGLKHVSA-N 1 0 318.377 1.888 20 5 DDBDRO C[NH2+][C@H]1CCCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000261671293 407574365 /nfs/dbraw/zinc/57/43/65/407574365.db2.gz CAWIQRAQJAPZNI-AAEUAGOBSA-N 1 0 306.366 1.606 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@@H](C[NH+](C)C)C1 ZINC000114478583 407579086 /nfs/dbraw/zinc/57/90/86/407579086.db2.gz RTYBPUJCCTWTNH-ZDUSSCGKSA-N 1 0 320.393 1.725 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170873585 407541791 /nfs/dbraw/zinc/54/17/91/407541791.db2.gz DGVXOFBVKIEPBB-GFCCVEGCSA-N 1 0 313.379 1.228 20 5 DDBDRO CN(CC(=O)N[C@@H]1CCCC[C@H]1[NH3+])c1ccccc1[N+](=O)[O-] ZINC000128518874 407545987 /nfs/dbraw/zinc/54/59/87/407545987.db2.gz CIYFHYXRMMWNTB-VXGBXAGGSA-N 1 0 306.366 1.417 20 5 DDBDRO CC(C)(C[NH3+])NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000178872489 407637070 /nfs/dbraw/zinc/63/70/70/407637070.db2.gz FIBJWJLYYFLOLV-UHFFFAOYSA-N 1 0 303.322 1.248 20 5 DDBDRO C[NH+]1CCN(CCNc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000227887802 407638072 /nfs/dbraw/zinc/63/80/72/407638072.db2.gz DYDXQQBJJWEQHM-UHFFFAOYSA-N 1 0 300.309 1.532 20 5 DDBDRO C[C@@H]1OCC[C@@]1(O)C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000227966835 407640805 /nfs/dbraw/zinc/64/08/05/407640805.db2.gz GJRWTJZLXKFACD-TVQRCGJNSA-N 1 0 300.742 1.878 20 5 DDBDRO CC[C@@H]1C[N@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C[C@H]1O ZINC000271347255 407647453 /nfs/dbraw/zinc/64/74/53/407647453.db2.gz PGOWBHLFANAJPY-ZWNOBZJWSA-N 1 0 310.350 1.815 20 5 DDBDRO C[C@@H]([NH2+]CCCN1CCC[C@@H]1C(N)=O)c1cccc([N+](=O)[O-])c1 ZINC000266820970 407648446 /nfs/dbraw/zinc/64/84/46/407648446.db2.gz ZDLAJTJCQAGOIE-IUODEOHRSA-N 1 0 320.393 1.585 20 5 DDBDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000115435570 407680628 /nfs/dbraw/zinc/68/06/28/407680628.db2.gz PPDZJVOHHBJMFH-GFCCVEGCSA-N 1 0 323.397 1.327 20 5 DDBDRO CC[C@H]1CN(c2nccc(C)c2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000115517105 407687769 /nfs/dbraw/zinc/68/77/69/407687769.db2.gz PCIZZRZAIWXZTP-ZDUSSCGKSA-N 1 0 308.382 1.845 20 5 DDBDRO CC(C)C[C@](C)(C[NH3+])NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000236704621 407755554 /nfs/dbraw/zinc/75/55/54/407755554.db2.gz CCCDZHLJMRAUAY-CQSZACIVSA-N 1 0 324.337 1.996 20 5 DDBDRO [NH3+][C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)C1 ZINC000132526052 407789360 /nfs/dbraw/zinc/78/93/60/407789360.db2.gz YVNVLNMUVIALGU-LBPRGKRZSA-N 1 0 318.377 1.758 20 5 DDBDRO C[NH2+]C[C@@H](C)CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000237343272 407816679 /nfs/dbraw/zinc/81/66/79/407816679.db2.gz GWTQXMKGUBLYLW-LLVKDONJSA-N 1 0 317.349 1.366 20 5 DDBDRO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000237471018 407823548 /nfs/dbraw/zinc/82/35/48/407823548.db2.gz YUOZKQZTOGGPCI-NEPJUHHUSA-N 1 0 306.366 1.735 20 5 DDBDRO CC[NH2+][C@H](C)CNC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000262439223 407836724 /nfs/dbraw/zinc/83/67/24/407836724.db2.gz XVOPAWYBEBZGEU-SECBINFHSA-N 1 0 311.338 1.340 20 5 DDBDRO [NH3+]C[C@@H]1CCCN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000237968189 407858586 /nfs/dbraw/zinc/85/85/86/407858586.db2.gz KCKKLJATNXLKFE-ZDUSSCGKSA-N 1 0 318.377 1.758 20 5 DDBDRO O=C(NC[C@@H]1[NH2+]CCc2ccccc21)c1cc([N+](=O)[O-])c[nH]1 ZINC000262545432 407861556 /nfs/dbraw/zinc/86/15/56/407861556.db2.gz RRAQKCGCVBWXSP-AWEZNQCLSA-N 1 0 300.318 1.540 20 5 DDBDRO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000238030155 407872316 /nfs/dbraw/zinc/87/23/16/407872316.db2.gz OXIPQQVHZJAGPQ-JOYOIKCWSA-N 1 0 311.313 1.356 20 5 DDBDRO O=C(CCNc1ccccc1[N+](=O)[O-])NC[C@H]1CCC[NH2+]C1 ZINC000238054709 407878104 /nfs/dbraw/zinc/87/81/04/407878104.db2.gz BPKQRGKJRQKBCE-LBPRGKRZSA-N 1 0 306.366 1.513 20 5 DDBDRO CC(=O)NCCC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173472825 407880793 /nfs/dbraw/zinc/88/07/93/407880793.db2.gz WZRBFZVCFLVUER-LBPRGKRZSA-N 1 0 307.354 1.002 20 5 DDBDRO COC(=O)c1cc(NC(=O)[C@@H]2CCC[NH2+]C2)cc([N+](=O)[O-])c1 ZINC000153825124 407911025 /nfs/dbraw/zinc/91/10/25/407911025.db2.gz NVMWMBPTTJZDTQ-SECBINFHSA-N 1 0 307.306 1.320 20 5 DDBDRO CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCCCNC1=O ZINC000153985362 407946845 /nfs/dbraw/zinc/94/68/45/407946845.db2.gz INPQNSPQKYHIRA-KGLIPLIRSA-N 1 0 307.350 1.229 20 5 DDBDRO C[N@H+](CCCNC(=O)c1[nH]ncc1[N+](=O)[O-])C1CCCCC1 ZINC000134960433 407954379 /nfs/dbraw/zinc/95/43/79/407954379.db2.gz RCXZDHVYKPROOM-UHFFFAOYSA-N 1 0 309.370 1.702 20 5 DDBDRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000154057678 407962109 /nfs/dbraw/zinc/96/21/09/407962109.db2.gz RJPBPZLNLBXRJR-OAHLLOKOSA-N 1 0 321.377 1.772 20 5 DDBDRO C[C@H]1C[C@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000180854385 407925056 /nfs/dbraw/zinc/92/50/56/407925056.db2.gz XSNCBTBHPRGMNV-UWVGGRQHSA-N 1 0 304.350 1.532 20 5 DDBDRO CNC(=O)c1ccc(N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000268171916 407925809 /nfs/dbraw/zinc/92/58/09/407925809.db2.gz QTWXJGVYMYZILG-QMTHXVAHSA-N 1 0 318.377 1.849 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[NH2+][C@H](C)[C@H]1C ZINC000262809445 407942568 /nfs/dbraw/zinc/94/25/68/407942568.db2.gz XSXFPVSNOJEBLT-GHMZBOCLSA-N 1 0 313.379 1.274 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCC(CCCO)CC1 ZINC000273048137 408034297 /nfs/dbraw/zinc/03/42/97/408034297.db2.gz YAYOIIHCCVUQOH-UHFFFAOYSA-N 1 0 309.366 1.241 20 5 DDBDRO C[N@@H+]1CC[C@H](CNC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C1 ZINC000272583422 407995070 /nfs/dbraw/zinc/99/50/70/407995070.db2.gz SCPUYFHGWOPXRK-SNVBAGLBSA-N 1 0 313.304 1.755 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](CC(N)=O)C1 ZINC000175227488 408082368 /nfs/dbraw/zinc/08/23/68/408082368.db2.gz YHOAXYVTQRDGGQ-NSHDSACASA-N 1 0 307.350 1.691 20 5 DDBDRO C[NH+]1CCC(CC(=O)NCCNc2ccccc2[N+](=O)[O-])CC1 ZINC000273165909 408088637 /nfs/dbraw/zinc/08/86/37/408088637.db2.gz AUZXCTZXZJZSSR-UHFFFAOYSA-N 1 0 320.393 1.855 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000182240979 408101930 /nfs/dbraw/zinc/10/19/30/408101930.db2.gz USQXRHZWBVNUCK-ZIAGYGMSSA-N 1 0 321.377 1.115 20 5 DDBDRO C[C@@H](CCNC(=O)Cn1ccc([N+](=O)[O-])n1)[NH+]1CCCCC1 ZINC000182243649 408103300 /nfs/dbraw/zinc/10/33/00/408103300.db2.gz CODYCQTZVMGLPF-LBPRGKRZSA-N 1 0 309.370 1.172 20 5 DDBDRO C[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])CC1CCOCC1 ZINC000182327765 408128778 /nfs/dbraw/zinc/12/87/78/408128778.db2.gz BRYXPVRCDXDQOW-AWEZNQCLSA-N 1 0 324.377 1.693 20 5 DDBDRO NC(=O)c1ccc(C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000155525965 408178010 /nfs/dbraw/zinc/17/80/10/408178010.db2.gz SUENZZMPOSULBG-HIFRSBDPSA-N 1 0 319.361 1.695 20 5 DDBDRO CC[N@H+](CCNc1ncc(C(=O)OC)cc1[N+](=O)[O-])C1CC1 ZINC000190171408 408182233 /nfs/dbraw/zinc/18/22/33/408182233.db2.gz APONCDIHUFDLOP-UHFFFAOYSA-N 1 0 308.338 1.673 20 5 DDBDRO C[N@@H+]1CCC[C@H]2CN(c3ncc([N+](=O)[O-])cc3C(N)=O)CC[C@H]21 ZINC000268841225 408216305 /nfs/dbraw/zinc/21/63/05/408216305.db2.gz ORDNHJNRPJQWCJ-GXFFZTMASA-N 1 0 319.365 1.009 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)N2CCN(C3CCC3)CC2)c1[N+](=O)[O-] ZINC000269486721 408327093 /nfs/dbraw/zinc/32/70/93/408327093.db2.gz WYYQNNQBUAIJTO-UHFFFAOYSA-N 1 0 321.381 1.752 20 5 DDBDRO CC[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C[C@H](C)O ZINC000246736791 408327545 /nfs/dbraw/zinc/32/75/45/408327545.db2.gz FXMPYNZSXRJGBW-GXTWGEPZSA-N 1 0 321.377 1.512 20 5 DDBDRO C[C@H](O)CN1CCN(c2ncc(Cl)cc2[N+](=O)[O-])C[C@H]1C ZINC000269338966 408272466 /nfs/dbraw/zinc/27/24/66/408272466.db2.gz BOFAGCIDDGIGHX-ZJUUUORDSA-N 1 0 314.773 1.535 20 5 DDBDRO CCOC(=O)[C@H](CC)N(CCn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000190646618 408295817 /nfs/dbraw/zinc/29/58/17/408295817.db2.gz XOXBEOUQEATHDW-ZDUSSCGKSA-N 1 0 310.354 1.597 20 5 DDBDRO C[NH2+]C[C@H](C)CNS(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000133216939 162054678 /nfs/dbraw/zinc/05/46/78/162054678.db2.gz IUPPVALKOHTEEF-VIFPVBQESA-N 1 0 315.395 1.345 20 5 DDBDRO CC[C@@](C)([NH2+]CCOc1ccc(OC)cc1[N+](=O)[O-])C(N)=O ZINC000133428000 162059050 /nfs/dbraw/zinc/05/90/50/162059050.db2.gz XDASDJZIHYEIIG-CQSZACIVSA-N 1 0 311.338 1.226 20 5 DDBDRO CC[NH+](CC)[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])cnc2C)C1 ZINC000174159017 162396620 /nfs/dbraw/zinc/39/66/20/162396620.db2.gz QVUVTTOSMYVIQQ-LBPRGKRZSA-N 1 0 306.366 1.855 20 5 DDBDRO NC(=O)CC1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000269649746 408376058 /nfs/dbraw/zinc/37/60/58/408376058.db2.gz GDTIVASHELFVCV-AWEZNQCLSA-N 1 0 307.350 1.216 20 5 DDBDRO C[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000274563471 408450330 /nfs/dbraw/zinc/45/03/30/408450330.db2.gz ABDTVZOOSJDCNS-SGMGOOAPSA-N 1 0 310.350 1.349 20 5 DDBDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000176856149 408459282 /nfs/dbraw/zinc/45/92/82/408459282.db2.gz GHEMGSHEVLHVBA-JTQLQIEISA-N 1 0 315.395 1.743 20 5 DDBDRO COC[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C1CC1 ZINC000183437866 408411834 /nfs/dbraw/zinc/41/18/34/408411834.db2.gz IRTWYZRPNTWRGC-CYBMUJFWSA-N 1 0 323.349 1.557 20 5 DDBDRO CSCC[C@@H]([NH3+])C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000159606913 408420345 /nfs/dbraw/zinc/42/03/45/408420345.db2.gz IWGMOFHEOTYVJD-CYBMUJFWSA-N 1 0 309.391 1.560 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@H]([NH+]2CCCC2)C1 ZINC000159755114 408430893 /nfs/dbraw/zinc/43/08/93/408430893.db2.gz MZGACBMXXQHKJC-AWEZNQCLSA-N 1 0 320.393 1.317 20 5 DDBDRO CCC([NH3+])(CC)CNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000160494017 408488813 /nfs/dbraw/zinc/48/88/13/408488813.db2.gz YIVMQKZOVLJCAB-UHFFFAOYSA-N 1 0 309.366 1.997 20 5 DDBDRO Cc1c(C(=O)N[C@H](C)CN2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000264443551 408491273 /nfs/dbraw/zinc/49/12/73/408491273.db2.gz ONNYQXGTKGALHA-GFCCVEGCSA-N 1 0 320.393 1.269 20 5 DDBDRO COc1cc(C[N@H+](C)CCn2cc([N+](=O)[O-])cn2)ccc1O ZINC000177050049 408505746 /nfs/dbraw/zinc/50/57/46/408505746.db2.gz RKZGVOUSPCVLIO-UHFFFAOYSA-N 1 0 306.322 1.638 20 5 DDBDRO CS[C@@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000270490042 408549630 /nfs/dbraw/zinc/54/96/30/408549630.db2.gz OGUYTCVSNYLOLZ-QWHCGFSZSA-N 1 0 309.391 1.712 20 5 DDBDRO C[C@@H](c1ccncc1)[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000270551594 408575193 /nfs/dbraw/zinc/57/51/93/408575193.db2.gz BLHSPPCOVNJLTH-SMDDNHRTSA-N 1 0 305.338 1.240 20 5 DDBDRO CN(CC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1)c1ccccc1[N+](=O)[O-] ZINC000248615202 408596661 /nfs/dbraw/zinc/59/66/61/408596661.db2.gz LVEHTOYLEDQQOZ-RWMBFGLXSA-N 1 0 318.377 1.227 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)n1 ZINC000248663926 408612349 /nfs/dbraw/zinc/61/23/49/408612349.db2.gz KHRLFCIDMYATHE-VXGBXAGGSA-N 1 0 323.397 1.661 20 5 DDBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000270761444 408670356 /nfs/dbraw/zinc/67/03/56/408670356.db2.gz MTKAFFZOLWEBHW-GHMZBOCLSA-N 1 0 309.370 1.179 20 5 DDBDRO C[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CC[C@H](O)CC1 ZINC000275905569 408714813 /nfs/dbraw/zinc/71/48/13/408714813.db2.gz SOEQNLYZTVVHCH-BPLDGKMQSA-N 1 0 324.377 1.570 20 5 DDBDRO C[C@@H](CNC(=O)Cn1cc([N+](=O)[O-])cn1)C[NH+]1CCCCC1 ZINC000193645757 408734302 /nfs/dbraw/zinc/73/43/02/408734302.db2.gz LWKRTLMJXNXDLX-LBPRGKRZSA-N 1 0 309.370 1.030 20 5 DDBDRO CC[N@@H+]1CCCN([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000265518331 408680329 /nfs/dbraw/zinc/68/03/29/408680329.db2.gz SJKMUHDUJNXTHX-CYBMUJFWSA-N 1 0 320.393 1.949 20 5 DDBDRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000164178076 408795557 /nfs/dbraw/zinc/79/55/57/408795557.db2.gz GDDDNOYPMJEKNM-NSHDSACASA-N 1 0 309.370 1.558 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](O)[C@@H](C)C1 ZINC000249598807 408748861 /nfs/dbraw/zinc/74/88/61/408748861.db2.gz XQEUANFUPUBRKP-SWLSCSKDSA-N 1 0 321.377 1.935 20 5 DDBDRO CCC(CC)[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000178006293 408753590 /nfs/dbraw/zinc/75/35/90/408753590.db2.gz HZJWIQJGFFNDAT-UHFFFAOYSA-N 1 0 315.395 1.651 20 5 DDBDRO C[NH+](C)C1(CNC(=O)CCNc2ccccc2[N+](=O)[O-])CCC1 ZINC000276043598 408758322 /nfs/dbraw/zinc/75/83/22/408758322.db2.gz STTZTZIAKKJUOR-UHFFFAOYSA-N 1 0 320.393 1.997 20 5 DDBDRO C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1)C1CC1 ZINC000290833417 408841746 /nfs/dbraw/zinc/84/17/46/408841746.db2.gz UXFPDBAXXIBVPH-CYBMUJFWSA-N 1 0 317.349 1.308 20 5 DDBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000286095782 408922524 /nfs/dbraw/zinc/92/25/24/408922524.db2.gz NJHBXOXQICRBMS-ZDMBXUJBSA-N 1 0 317.349 1.587 20 5 DDBDRO COc1cc(C(=O)N2CCC[N@@H+](C3CC3)CC2)ccc1[N+](=O)[O-] ZINC000194674914 163292214 /nfs/dbraw/zinc/29/22/14/163292214.db2.gz URQBTPAUYGHSFP-UHFFFAOYSA-N 1 0 319.361 1.914 20 5 DDBDRO COc1cc(C(=O)N[C@H]2CCC[NH2+][C@@H]2C)cc([N+](=O)[O-])c1OC ZINC000277447655 408942566 /nfs/dbraw/zinc/94/25/66/408942566.db2.gz FZIBFTQUCFOWML-KOLCDFICSA-N 1 0 323.349 1.482 20 5 DDBDRO Cc1cc(C(=O)N2CCC[C@H](CC[NH3+])C2)c(N)c([N+](=O)[O-])c1 ZINC000282070060 408984847 /nfs/dbraw/zinc/98/48/47/408984847.db2.gz WSVOHQWVYCYQBY-LLVKDONJSA-N 1 0 306.366 1.686 20 5 DDBDRO [NH3+]CC[C@H]1CCCN(C(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000282099602 408991207 /nfs/dbraw/zinc/99/12/07/408991207.db2.gz ZHCCNCPLKGRFKM-CYBMUJFWSA-N 1 0 320.393 1.984 20 5 DDBDRO C[C@@H](C[NH+](C)C)Nc1ccc([N+](=O)[O-])cc1N1CCOC1=O ZINC000286600511 408993025 /nfs/dbraw/zinc/99/30/25/408993025.db2.gz ZPBQENGIHTYLQU-JTQLQIEISA-N 1 0 308.338 1.913 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)n1 ZINC000277721541 408999005 /nfs/dbraw/zinc/99/90/05/408999005.db2.gz JFNYJKUPLUQVRD-KOLCDFICSA-N 1 0 322.287 1.427 20 5 DDBDRO CC(C)([NH2+]C[C@H]1CCS(=O)(=O)C1)c1ccccc1[N+](=O)[O-] ZINC000292245435 409008391 /nfs/dbraw/zinc/00/83/91/409008391.db2.gz XFEPNIJEGRHLEC-LLVKDONJSA-N 1 0 312.391 1.854 20 5 DDBDRO CCCN(CC[NH+]1CCCC1)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000287466595 409041835 /nfs/dbraw/zinc/04/18/35/409041835.db2.gz SFSCDHMNRMVHTG-UHFFFAOYSA-N 1 0 309.370 1.126 20 5 DDBDRO CC[N@H+](CCNc1nc(C)cc(C(=O)OC)c1[N+](=O)[O-])C1CC1 ZINC000287718405 409080482 /nfs/dbraw/zinc/08/04/82/409080482.db2.gz FSJGDHSNKPQJDU-UHFFFAOYSA-N 1 0 322.365 1.981 20 5 DDBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000293494395 409125038 /nfs/dbraw/zinc/12/50/38/409125038.db2.gz SDMLRPKZAHDUPQ-DZGCQCFKSA-N 1 0 303.362 1.738 20 5 DDBDRO COC[C@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000279046098 409138323 /nfs/dbraw/zinc/13/83/23/409138323.db2.gz JZLWYVKJCWIUCT-GXTWGEPZSA-N 1 0 323.349 1.317 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000293570060 409139942 /nfs/dbraw/zinc/13/99/42/409139942.db2.gz XXRXQBQXABXXDO-GXFFZTMASA-N 1 0 305.334 1.427 20 5 DDBDRO [NH3+]C[C@H]1CC[C@H](CNC(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000289367305 409256011 /nfs/dbraw/zinc/25/60/11/409256011.db2.gz ZWBYLWFDUUYOIP-JOCQHMNTSA-N 1 0 321.377 1.855 20 5 DDBDRO Cc1c(C[N@@H+](C)[C@H]2CCN3CCO[C@H]2C3)cccc1[N+](=O)[O-] ZINC000295056434 409311411 /nfs/dbraw/zinc/31/14/11/409311411.db2.gz AZFQBNRVCAZILP-HOTGVXAUSA-N 1 0 305.378 1.808 20 5 DDBDRO Cc1ccc(NCCCNC(=O)[C@H](C)[NH2+]C2CC2)c([N+](=O)[O-])c1 ZINC000295142440 409342108 /nfs/dbraw/zinc/34/21/08/409342108.db2.gz IWTITNJJNMQBQQ-LBPRGKRZSA-N 1 0 320.393 1.962 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCO[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000285393347 409425771 /nfs/dbraw/zinc/42/57/71/409425771.db2.gz XGDODKWQKXMXBR-KBPBESRZSA-N 1 0 319.361 1.448 20 5 DDBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCC(=O)N(C)C2=O)cc1[N+](=O)[O-] ZINC000316413805 164021668 /nfs/dbraw/zinc/02/16/68/164021668.db2.gz YRIXETXHYNUMCN-ZYHUDNBSSA-N 1 0 305.334 1.701 20 5 DDBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCC(=O)N(C)C2=O)cc1[N+](=O)[O-] ZINC000316413800 164021747 /nfs/dbraw/zinc/02/17/47/164021747.db2.gz YRIXETXHYNUMCN-JQWIXIFHSA-N 1 0 305.334 1.701 20 5 DDBDRO Nc1c(C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000317069886 164025562 /nfs/dbraw/zinc/02/55/62/164025562.db2.gz JHEDHRGBJPQLLU-NSHDSACASA-N 1 0 304.350 1.487 20 5 DDBDRO C[NH+](C)C[C@](C)(O)CNc1ccc([N+](=O)[O-])c2ncccc12 ZINC000318495512 164031427 /nfs/dbraw/zinc/03/14/27/164031427.db2.gz NMPCPKUUAYICKU-OAHLLOKOSA-N 1 0 304.350 1.868 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N(C)C[C@@H]2CCC[N@@H+]2C)n1 ZINC000319331327 164036110 /nfs/dbraw/zinc/03/61/10/164036110.db2.gz RQRARFNGMINGKT-JTQLQIEISA-N 1 0 308.338 1.307 20 5 DDBDRO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000321307592 164043761 /nfs/dbraw/zinc/04/37/61/164043761.db2.gz CRQAVIMZPOZAPU-AAEUAGOBSA-N 1 0 318.377 1.876 20 5 DDBDRO COc1ccc([C@H](C)[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000321307688 164044385 /nfs/dbraw/zinc/04/43/85/164044385.db2.gz WGNDFCCWVXDAFU-FZMZJTMJSA-N 1 0 320.349 1.512 20 5 DDBDRO [NH3+]CCCOC1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000321737209 164044768 /nfs/dbraw/zinc/04/47/68/164044768.db2.gz UFGQLCYHAJSLOR-UHFFFAOYSA-N 1 0 322.365 1.957 20 5 DDBDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000357033730 164136786 /nfs/dbraw/zinc/13/67/86/164136786.db2.gz IAPOWWFQHOFVHW-NWDGAFQWSA-N 1 0 306.366 1.558 20 5 DDBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CNC[C@@](C)(O)C[NH+](C)C ZINC000344855577 409532263 /nfs/dbraw/zinc/53/22/63/409532263.db2.gz GJJFEKCRZUZRGL-WDBUWWRISA-N 1 0 307.394 1.900 20 5 DDBDRO C[N@H+](CC(C)(C)O)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000304737532 409641124 /nfs/dbraw/zinc/64/11/24/409641124.db2.gz SNZZUVMELBEAEU-CYBMUJFWSA-N 1 0 307.350 1.403 20 5 DDBDRO COc1c(C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)cccc1[N+](=O)[O-] ZINC000356745533 409570513 /nfs/dbraw/zinc/57/05/13/409570513.db2.gz OJECNHLAZLKMMZ-NSHDSACASA-N 1 0 319.361 1.984 20 5 DDBDRO [NH3+][C@H]1CCc2ncc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2C1 ZINC000349061432 409673321 /nfs/dbraw/zinc/67/33/21/409673321.db2.gz XFVNAQYOKICKDR-VIFPVBQESA-N 1 0 302.290 1.651 20 5 DDBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2c([N+](=O)[O-])c(C)nn2C)C[C@@H]1C ZINC000354405381 409831043 /nfs/dbraw/zinc/83/10/43/409831043.db2.gz UQPXDKDFALEWRQ-JQWIXIFHSA-N 1 0 323.397 1.582 20 5 DDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357069005 409836545 /nfs/dbraw/zinc/83/65/45/409836545.db2.gz FASJPSDLOUNNQJ-JHJVBQTASA-N 1 0 318.377 1.463 20 5 DDBDRO CC[N@@H+]1C[C@@H](C)N(c2nccc(C(N)=O)c2[N+](=O)[O-])C[C@@H]1C ZINC000357460898 410051831 /nfs/dbraw/zinc/05/18/31/410051831.db2.gz RRFGCWKBNDADCO-VHSXEESVSA-N 1 0 307.354 1.008 20 5 DDBDRO CCC[C@H]1CN(c2ccc([N+](=O)[O-])nc2)CC[N@@H+]1CCOC ZINC000346650303 410058910 /nfs/dbraw/zinc/05/89/10/410058910.db2.gz GLWCVTISFIXVIT-AWEZNQCLSA-N 1 0 308.382 1.927 20 5 DDBDRO CC(C)[NH+](CCCNc1nccc(C(N)=O)c1[N+](=O)[O-])C(C)C ZINC000357503564 410072331 /nfs/dbraw/zinc/07/23/31/410072331.db2.gz NILONFUHDUAKCG-UHFFFAOYSA-N 1 0 323.397 2.010 20 5 DDBDRO COc1c(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000332671547 410203737 /nfs/dbraw/zinc/20/37/37/410203737.db2.gz ZQYJLPVWNKONAF-RYUDHWBXSA-N 1 0 319.361 1.912 20 5 DDBDRO COC(=O)[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000298776304 410392223 /nfs/dbraw/zinc/39/22/23/410392223.db2.gz DCVSZQLNBCNSEK-LLVKDONJSA-N 1 0 321.333 1.418 20 5 DDBDRO Cn1ccnc1[C@@H]1OCC[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000343393891 410421353 /nfs/dbraw/zinc/42/13/53/410421353.db2.gz XCROKVNSYLMXEU-UONOGXRCSA-N 1 0 302.334 1.948 20 5 DDBDRO C[C@@H]1[C@@H](NC(=O)COc2cccc([N+](=O)[O-])c2)CCC[N@@H+]1C ZINC000343441163 410453567 /nfs/dbraw/zinc/45/35/67/410453567.db2.gz BXNVMZSQHMQHPT-RISCZKNCSA-N 1 0 307.350 1.573 20 5 DDBDRO CC(C)(C)CC[NH+]1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000298866722 410429481 /nfs/dbraw/zinc/42/94/81/410429481.db2.gz SRCBPELQLLIDEI-UHFFFAOYSA-N 1 0 323.397 1.372 20 5 DDBDRO CC[N@H+](C[C@@H](C)O)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000352187445 410534217 /nfs/dbraw/zinc/53/42/17/410534217.db2.gz RVSQBMIKZPBOPA-BXUZGUMPSA-N 1 0 307.350 1.403 20 5 DDBDRO COCC[N@@H+]1CCCN(C(=O)c2cccc(C)c2[N+](=O)[O-])CC1 ZINC000299238407 410576149 /nfs/dbraw/zinc/57/61/49/410576149.db2.gz VVEIUZWBABYRMX-UHFFFAOYSA-N 1 0 321.377 1.698 20 5 DDBDRO C[C@H](C[NH3+])NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000347667133 410665386 /nfs/dbraw/zinc/66/53/86/410665386.db2.gz KACGICHPKPYEDZ-SFYZADRCSA-N 1 0 301.730 1.479 20 5 DDBDRO Cc1ccnc(NC2CC[NH+]([C@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000301741050 410785660 /nfs/dbraw/zinc/78/56/60/410785660.db2.gz XVNNUORZELPUMF-ZDUSSCGKSA-N 1 0 306.366 1.963 20 5 DDBDRO CO[C@@H](C)C[N@H+](C)CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000353205191 410850160 /nfs/dbraw/zinc/85/01/60/410850160.db2.gz OVFIVLSTNXZBLK-NSHDSACASA-N 1 0 323.349 1.860 20 5 DDBDRO COC(=O)c1cnc(N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000302750018 410858450 /nfs/dbraw/zinc/85/84/50/410858450.db2.gz GWKLHYSZFDCPBI-MWLCHTKSSA-N 1 0 320.349 1.814 20 5 DDBDRO Cn1nc([N+](=O)[O-])cc1C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000356145084 410860634 /nfs/dbraw/zinc/86/06/34/410860634.db2.gz FUMXOPCFPDBMKM-UHFFFAOYSA-N 1 0 303.322 1.642 20 5 DDBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@H](CO)C1CCOCC1 ZINC000359929882 410955212 /nfs/dbraw/zinc/95/52/12/410955212.db2.gz NLYBGNJWPPFKQN-UYWPIULCSA-N 1 0 306.362 1.985 20 5 DDBDRO CC(C)[C@@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000331115286 410956386 /nfs/dbraw/zinc/95/63/86/410956386.db2.gz DGJDOWXLLVNHGT-HNNXBMFYSA-N 1 0 305.378 1.936 20 5 DDBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cc([N+](=O)[O-])nn1C ZINC000356319021 410962960 /nfs/dbraw/zinc/96/29/60/410962960.db2.gz YTYLLAMMRNCNDP-WDEREUQCSA-N 1 0 307.354 1.027 20 5 DDBDRO CC[NH+](CC)C[C@@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000359984590 410984008 /nfs/dbraw/zinc/98/40/08/410984008.db2.gz BRYRDKBPWMYSKE-SECBINFHSA-N 1 0 321.424 1.665 20 5 DDBDRO CN(C(=O)C[N@@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000344085595 410947426 /nfs/dbraw/zinc/94/74/26/410947426.db2.gz SLPDWASCHPXQQN-GLQYFDAESA-N 1 0 319.361 1.260 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)NCC2(C)CC[NH+](C)CC2)n1 ZINC000331216819 411023590 /nfs/dbraw/zinc/02/35/90/411023590.db2.gz WCLHCLZQUNKVRK-UHFFFAOYSA-N 1 0 309.370 1.273 20 5 DDBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H](O)C(F)F ZINC000341378141 411029717 /nfs/dbraw/zinc/02/97/17/411029717.db2.gz ZXQFLXCTMANMRG-GZMMTYOYSA-N 1 0 317.292 1.528 20 5 DDBDRO CNc1ccc(C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000580071311 422883289 /nfs/dbraw/zinc/88/32/89/422883289.db2.gz OEGKASSUZSFXSL-MRXNPFEDSA-N 1 0 318.377 1.852 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CC[C@@H]2CCOC2)c1 ZINC000580769797 422951971 /nfs/dbraw/zinc/95/19/71/422951971.db2.gz IQMNXPPXPBXXQM-TZMCWYRMSA-N 1 0 310.350 1.351 20 5 DDBDRO C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000295477677 224886870 /nfs/dbraw/zinc/88/68/70/224886870.db2.gz YXANKEPDCRYUFO-OLZOCXBDSA-N 1 0 321.377 1.740 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000417186966 225236703 /nfs/dbraw/zinc/23/67/03/225236703.db2.gz UHLVWHLZZAADNW-LBPRGKRZSA-N 1 0 308.338 1.140 20 5 DDBDRO C[C@H](NC(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000417126124 225217742 /nfs/dbraw/zinc/21/77/42/225217742.db2.gz CUILLOBNCOTKEC-UBHSHLNASA-N 1 0 318.377 1.907 20 5 DDBDRO [NH3+]C[C@H](NC(=O)NCCc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000417760982 225428335 /nfs/dbraw/zinc/42/83/35/225428335.db2.gz GUKUQJSBKJNUKF-AWEZNQCLSA-N 1 0 320.393 1.954 20 5 DDBDRO C[C@@H]1CN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@@H](C)C[NH2+]1 ZINC000420400648 226484068 /nfs/dbraw/zinc/48/40/68/226484068.db2.gz PDGKAJLSYKQBKS-NEPJUHHUSA-N 1 0 318.377 1.166 20 5 DDBDRO Cc1cc(C)c(S(=O)(=O)NC(C)(C)CC[NH3+])cc1[N+](=O)[O-] ZINC000422553627 227046574 /nfs/dbraw/zinc/04/65/74/227046574.db2.gz UOGQNCGSRCULEL-UHFFFAOYSA-N 1 0 315.395 1.617 20 5 DDBDRO NC(=O)c1ccnc(N2CC[C@H]([NH+]3CCCCC3)C2)c1[N+](=O)[O-] ZINC000290531360 221723160 /nfs/dbraw/zinc/72/31/60/221723160.db2.gz HKLUTBPDKNNPOC-NSHDSACASA-N 1 0 319.365 1.153 20 5 DDBDRO Nc1c(C(=O)N[C@H]2CC23CC[NH2+]CC3)cc(F)cc1[N+](=O)[O-] ZINC000366565718 418490896 /nfs/dbraw/zinc/49/08/96/418490896.db2.gz JKRIACTXNQJRMM-NSHDSACASA-N 1 0 308.313 1.188 20 5 DDBDRO Cc1nn(C)c(C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)c1[N+](=O)[O-] ZINC000374428286 418528741 /nfs/dbraw/zinc/52/87/41/418528741.db2.gz LQBMZOKPOFGTDM-GFCCVEGCSA-N 1 0 321.381 1.241 20 5 DDBDRO NC(=O)c1ccnc(N2CCC[C@H]2C[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000290896433 222003414 /nfs/dbraw/zinc/00/34/14/222003414.db2.gz DKVXQOINZUEMQF-NSHDSACASA-N 1 0 319.365 1.153 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)NCCC[NH+]2CCC(C)CC2)n1 ZINC000191759112 222108581 /nfs/dbraw/zinc/10/85/81/222108581.db2.gz IHFDEGIQFPTLQE-UHFFFAOYSA-N 1 0 323.397 1.663 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000294231590 418583688 /nfs/dbraw/zinc/58/36/88/418583688.db2.gz RNIGAPARVNNCMZ-OAHLLOKOSA-N 1 0 321.381 1.044 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)c1 ZINC000375466475 418642909 /nfs/dbraw/zinc/64/29/09/418642909.db2.gz UTCJBFGAKJUZCT-LLVKDONJSA-N 1 0 318.337 1.541 20 5 DDBDRO O=C([C@@H]1C[C@@H]1[N+](=O)[O-])N1CCC[C@@H]([NH2+]Cc2ccccc2)C1 ZINC000361342566 418630020 /nfs/dbraw/zinc/63/00/20/418630020.db2.gz NLRPSRQTIDVRPF-KFWWJZLASA-N 1 0 303.362 1.432 20 5 DDBDRO O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000368046637 418679098 /nfs/dbraw/zinc/67/90/98/418679098.db2.gz RDDKZFFIUJCSFC-IUCAKERBSA-N 1 0 301.705 1.678 20 5 DDBDRO COc1cc(C[N@H+](CCO)[C@H]2CCO[C@@H]2C)ccc1[N+](=O)[O-] ZINC000361585430 418686043 /nfs/dbraw/zinc/68/60/43/418686043.db2.gz IIPOHVDRKVSNAG-YPMHNXCESA-N 1 0 310.350 1.575 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](C)[C@H](C)[NH3+])cc1C ZINC000381427555 418729392 /nfs/dbraw/zinc/72/93/92/418729392.db2.gz BWOJGLJRNQZPSZ-UWVGGRQHSA-N 1 0 301.368 1.226 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000388675025 418747179 /nfs/dbraw/zinc/74/71/79/418747179.db2.gz UZPWTPLLSPOBHY-UHFFFAOYSA-N 1 0 306.366 1.538 20 5 DDBDRO Nc1nc(N2CCC[C@H]([NH+]3CCCCC3)C2)ncc1[N+](=O)[O-] ZINC000363395983 418765455 /nfs/dbraw/zinc/76/54/55/418765455.db2.gz OTINLZBHVMNIGE-NSHDSACASA-N 1 0 306.370 1.422 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](C[NH3+])C2CCCCC2)n1 ZINC000422833657 227207076 /nfs/dbraw/zinc/20/70/76/227207076.db2.gz MNLKCRZPYZBBNO-NSHDSACASA-N 1 0 309.370 1.449 20 5 DDBDRO C[C@H](CO)[N@@H+]1CCCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000364985508 418828972 /nfs/dbraw/zinc/82/89/72/418828972.db2.gz QYMHSAMEYILDQI-SNVBAGLBSA-N 1 0 315.320 1.766 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1CN1CC[C@@H](O)c2ccccc2C1 ZINC000364948574 418827298 /nfs/dbraw/zinc/82/72/98/418827298.db2.gz YSZHTBIVAGDOMN-CQSZACIVSA-N 1 0 302.334 1.768 20 5 DDBDRO CC(C)CNC(=O)[C@@H](C)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365823848 418913806 /nfs/dbraw/zinc/91/38/06/418913806.db2.gz WTBXILFAUCEEEP-GFCCVEGCSA-N 1 0 323.397 1.589 20 5 DDBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)CNc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000372973150 418917458 /nfs/dbraw/zinc/91/74/58/418917458.db2.gz JCTIBSAUMWBMQP-SWLSCSKDSA-N 1 0 318.377 1.559 20 5 DDBDRO O=C(Nc1nc(C2CC[NH2+]CC2)cs1)c1cc([N+](=O)[O-])n[nH]1 ZINC000423976445 227833375 /nfs/dbraw/zinc/83/33/75/227833375.db2.gz FZNKXWRGQCWFEF-UHFFFAOYSA-N 1 0 322.350 1.494 20 5 DDBDRO C[C@H]1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000424022217 228220645 /nfs/dbraw/zinc/22/06/45/228220645.db2.gz UUSLDJSCGOZOCI-GXTWGEPZSA-N 1 0 305.378 1.971 20 5 DDBDRO C[C@@H]1C[C@@H](C)N(C(=O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000424053130 228223297 /nfs/dbraw/zinc/22/32/97/228223297.db2.gz NZKZJOLURHMNLS-UPJWGTAASA-N 1 0 321.377 1.805 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000424052820 228223316 /nfs/dbraw/zinc/22/33/16/228223316.db2.gz NIGAVZWGJMNDLP-NHCYSSNCSA-N 1 0 306.366 1.744 20 5 DDBDRO Cc1ccc([C@@H](C)NC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)cc1[N+](=O)[O-] ZINC000417845986 419353472 /nfs/dbraw/zinc/35/34/72/419353472.db2.gz JANIUSNQAFTKKI-BNOWGMLFSA-N 1 0 318.377 1.825 20 5 DDBDRO C[N@H+](CCCF)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420976228 419397986 /nfs/dbraw/zinc/39/79/86/419397986.db2.gz SFSHQXMUEQVTJR-UHFFFAOYSA-N 1 0 319.358 1.165 20 5 DDBDRO C[C@H](NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccccc1[N+](=O)[O-] ZINC000417988180 419453359 /nfs/dbraw/zinc/45/33/59/419453359.db2.gz RVMDRWJGCLDJTM-YNEHKIRRSA-N 1 0 318.377 1.907 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1CN1C[C@@H](C)[N@@H+](CCO)C[C@H]1C ZINC000418122954 419553545 /nfs/dbraw/zinc/55/35/45/419553545.db2.gz YGKIXUWHGVKXNG-ZIAGYGMSSA-N 1 0 307.394 1.790 20 5 DDBDRO Cc1c(CNC(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000418079078 419515532 /nfs/dbraw/zinc/51/55/32/419515532.db2.gz KGEVHWVYHCAJJO-KGLIPLIRSA-N 1 0 318.377 1.654 20 5 DDBDRO C[C@H](NC(=O)N1CCO[C@H](C[NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC000418239854 419641914 /nfs/dbraw/zinc/64/19/14/419641914.db2.gz ZCVCTHGYAFQKDR-GXFFZTMASA-N 1 0 308.338 1.025 20 5 DDBDRO COCC[C@]1(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)CC[NH2+]C1 ZINC000429984615 228863626 /nfs/dbraw/zinc/86/36/26/228863626.db2.gz NEWUPBFNEHRGBZ-MLGOLLRUSA-N 1 0 321.377 1.788 20 5 DDBDRO CCC[NH2+]CCNC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000418482730 419829519 /nfs/dbraw/zinc/82/95/19/419829519.db2.gz VSIYBUOTWBILAE-UHFFFAOYSA-N 1 0 308.382 1.778 20 5 DDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@H](O)C(F)F)n1 ZINC000436284844 229466467 /nfs/dbraw/zinc/46/64/67/229466467.db2.gz OCJGSPQUCGUCIY-BBBLOLIVSA-N 1 0 304.297 1.491 20 5 DDBDRO C[C@@H](CC[NH3+])NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000415551775 420109029 /nfs/dbraw/zinc/10/90/29/420109029.db2.gz MDJYXVRAYDKBMK-ZETCQYMHSA-N 1 0 314.729 1.040 20 5 DDBDRO CC(C)c1ccc(C(=O)NC[C@H]2C[NH2+]C[C@H]2O)cc1[N+](=O)[O-] ZINC000423683190 420125411 /nfs/dbraw/zinc/12/54/11/420125411.db2.gz WOKQAPFQYVKAJP-BXUZGUMPSA-N 1 0 307.350 1.028 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000423585152 420089072 /nfs/dbraw/zinc/08/90/72/420089072.db2.gz AOQIJIOZDOLELK-GHMZBOCLSA-N 1 0 307.350 1.721 20 5 DDBDRO CN(CCC(=O)Nc1ccccc1[N+](=O)[O-])C1(C[NH3+])CCC1 ZINC000420319524 420204447 /nfs/dbraw/zinc/20/44/47/420204447.db2.gz AKTDJUXRXSTUMY-UHFFFAOYSA-N 1 0 306.366 1.737 20 5 DDBDRO COc1ccc(NC(=O)CN2CC[C@H]([NH3+])[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000430927063 420208820 /nfs/dbraw/zinc/20/88/20/420208820.db2.gz HWHCSLQUEQLVMD-JQWIXIFHSA-N 1 0 322.365 1.211 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000430588883 420147932 /nfs/dbraw/zinc/14/79/32/420147932.db2.gz AVDQLCOERQVRBK-OLZOCXBDSA-N 1 0 318.377 1.668 20 5 DDBDRO O=[N+]([O-])c1ccc(-c2noc(NCC[C@H]3CCC[NH2+]C3)n2)cc1 ZINC000420200432 420149370 /nfs/dbraw/zinc/14/93/70/420149370.db2.gz MSJWETLNKXAQTF-LLVKDONJSA-N 1 0 317.349 2.446 20 5 DDBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@H](C[NH3+])C1 ZINC000430632661 420164476 /nfs/dbraw/zinc/16/44/76/420164476.db2.gz YYPGQPPJNQPLNU-NWDGAFQWSA-N 1 0 306.366 1.593 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC[C@H](C[NH3+])C1 ZINC000430630555 420164637 /nfs/dbraw/zinc/16/46/37/420164637.db2.gz YXEAAXDEPTUKJT-GFCCVEGCSA-N 1 0 306.366 1.512 20 5 DDBDRO [NH3+]C[C@@H]1CCCCN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000430629369 420165703 /nfs/dbraw/zinc/16/57/03/420165703.db2.gz WMHGWEUSGMJEAW-ZDUSSCGKSA-N 1 0 317.349 1.958 20 5 DDBDRO C[C@H]1[NH2+]CCC[C@@H]1Nc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000420251670 420168827 /nfs/dbraw/zinc/16/88/27/420168827.db2.gz XPMLTGJDEJCZRI-SKDRFNHKSA-N 1 0 303.322 2.197 20 5 DDBDRO COc1ccc(NC(=O)[C@@H](C)N2CC[C@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000430965438 420226945 /nfs/dbraw/zinc/22/69/45/420226945.db2.gz JKWVNHPMLGVLRU-GHMZBOCLSA-N 1 0 322.365 1.211 20 5 DDBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420382012 420251729 /nfs/dbraw/zinc/25/17/29/420251729.db2.gz PKOALTIUWNKQKX-FRRDWIJNSA-N 1 0 320.393 1.839 20 5 DDBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[NH2+]C[C@@](C)(F)C1 ZINC000420339294 420220755 /nfs/dbraw/zinc/22/07/55/420220755.db2.gz SHBLWHNXZCWTJQ-IAQYHMDHSA-N 1 0 324.356 1.555 20 5 DDBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)CC[NH3+] ZINC000424003983 420302236 /nfs/dbraw/zinc/30/22/36/420302236.db2.gz LOHWNNFHNNLSIS-QMMMGPOBSA-N 1 0 301.730 1.433 20 5 DDBDRO Cc1c(C[NH+]2CCC3(CNC(=O)N3C)CC2)cccc1[N+](=O)[O-] ZINC000425534980 420412115 /nfs/dbraw/zinc/41/21/15/420412115.db2.gz CCTXKRGJIZBZIP-UHFFFAOYSA-N 1 0 318.377 1.893 20 5 DDBDRO Cc1ccsc1C[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000438781967 420465853 /nfs/dbraw/zinc/46/58/53/420465853.db2.gz AAUIHMJDCILHFT-GFCCVEGCSA-N 1 0 310.379 1.654 20 5 DDBDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000457084525 420604934 /nfs/dbraw/zinc/60/49/34/420604934.db2.gz LOJAIMPTDCJHML-AWEZNQCLSA-N 1 0 321.377 1.915 20 5 DDBDRO COc1ccc(OCC[N@@H+]2C[C@H](C)C[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000452069486 420619410 /nfs/dbraw/zinc/61/94/10/420619410.db2.gz PZPKGFHNALMULA-NEPJUHHUSA-N 1 0 310.350 1.685 20 5 DDBDRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000492965777 420723035 /nfs/dbraw/zinc/72/30/35/420723035.db2.gz VDEQKASSJZMVNR-YRRNZLABSA-N 1 0 307.325 1.991 20 5 DDBDRO CC[N@@H+]1CC[C@@H](NC(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000493700486 420919299 /nfs/dbraw/zinc/91/92/99/420919299.db2.gz XREIQTVPRSKORQ-DIECRNLCSA-N 1 0 307.325 1.958 20 5 DDBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@@](O)(CO)C1 ZINC000459727659 420858628 /nfs/dbraw/zinc/85/86/28/420858628.db2.gz RADGWICRIFVNAM-OIQJVACTSA-N 1 0 306.362 1.817 20 5 DDBDRO CO[C@@H]1COC[C@@H]1NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000459819849 420882391 /nfs/dbraw/zinc/88/23/91/420882391.db2.gz CUPDWAHUGJEVHL-NWDGAFQWSA-N 1 0 320.305 1.148 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](O)C1CCOCC1 ZINC000449156623 420963073 /nfs/dbraw/zinc/96/30/73/420963073.db2.gz STYWTJYLZVIZCT-WBMJQRKESA-N 1 0 308.378 1.903 20 5 DDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1nnnn1CC1CC1 ZINC000449246384 420976195 /nfs/dbraw/zinc/97/61/95/420976195.db2.gz BNLZJYDCSQFPEC-NSHDSACASA-N 1 0 316.365 1.712 20 5 DDBDRO O=C(/C=C\c1ccc(F)cc1[N+](=O)[O-])NCC1CC[NH2+]CC1 ZINC000493802906 420944636 /nfs/dbraw/zinc/94/46/36/420944636.db2.gz LZWMZSAWAMTPBE-RQOWECAXSA-N 1 0 307.325 1.863 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1nnc2n1CCC2 ZINC000449073482 420945504 /nfs/dbraw/zinc/94/55/04/420945504.db2.gz NKKKZWKPKOSSJP-LLVKDONJSA-N 1 0 301.350 1.853 20 5 DDBDRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000449640498 421042586 /nfs/dbraw/zinc/04/25/86/421042586.db2.gz SFNSXHLWYYUEEH-VXGBXAGGSA-N 1 0 307.350 1.607 20 5 DDBDRO CNC(=O)C[C@H](C)[NH2+]Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000449605738 421037316 /nfs/dbraw/zinc/03/73/16/421037316.db2.gz XCATUHSBAGACTE-VIFPVBQESA-N 1 0 311.338 1.226 20 5 DDBDRO C[C@@H]1[C@@H](CO)CC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000488799332 421118135 /nfs/dbraw/zinc/11/81/35/421118135.db2.gz KJQKZVIWGSCKEF-DGCLKSJQSA-N 1 0 319.361 1.187 20 5 DDBDRO CCOc1ccc(C(=O)N2CCC[C@H]3C[NH2+]C[C@H]32)cc1[N+](=O)[O-] ZINC000449730938 421070052 /nfs/dbraw/zinc/07/00/52/421070052.db2.gz GWWBBNJQRKVXGM-GXTWGEPZSA-N 1 0 319.361 1.818 20 5 DDBDRO CC[C@H]1CN(CC)CCN1C(=O)c1cc([N+](=O)[O-])cnc1C ZINC000456346708 421144958 /nfs/dbraw/zinc/14/49/58/421144958.db2.gz IZODHVMDSDDVTK-LBPRGKRZSA-N 1 0 306.366 1.855 20 5 DDBDRO COCC[N@H+](CCOc1cccc([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000490065429 421188430 /nfs/dbraw/zinc/18/84/30/421188430.db2.gz WHLRLPIYPYEFKF-CQSZACIVSA-N 1 0 310.350 1.711 20 5 DDBDRO COCC[N@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000490043245 421187058 /nfs/dbraw/zinc/18/70/58/421187058.db2.gz BFCPJTYOEJVIHJ-CYBMUJFWSA-N 1 0 310.350 1.841 20 5 DDBDRO C[C@H]1C[C@H](NC(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000561159465 421310117 /nfs/dbraw/zinc/31/01/17/421310117.db2.gz PEZWBOCAWWOEFY-NWDGAFQWSA-N 1 0 322.365 1.413 20 5 DDBDRO C[C@H](CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)[N@H+](C)C1CC1 ZINC000524359403 421258595 /nfs/dbraw/zinc/25/85/95/421258595.db2.gz SUFDPVCYNDQZKS-SECBINFHSA-N 1 0 321.333 1.536 20 5 DDBDRO C[C@@H]1CC[N@H+](CCNC(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000525291585 421285760 /nfs/dbraw/zinc/28/57/60/421285760.db2.gz KMTVASBYQLHLIX-CYBMUJFWSA-N 1 0 320.393 1.855 20 5 DDBDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000547755797 421363367 /nfs/dbraw/zinc/36/33/67/421363367.db2.gz AFWFOVWHCOSHSN-AXFHLTTASA-N 1 0 309.370 1.414 20 5 DDBDRO C[C@@H](C[NH3+])CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000514728042 421450071 /nfs/dbraw/zinc/45/00/71/421450071.db2.gz HHCRSPQBLYKWHG-LBPRGKRZSA-N 1 0 320.393 1.522 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@H]1CC[C@H](CO)CC1 ZINC000563143545 421462975 /nfs/dbraw/zinc/46/29/75/421462975.db2.gz SJJFJWDOJHOEEL-IHRRRGAJSA-N 1 0 324.377 1.475 20 5 DDBDRO O=[N+]([O-])c1cnc(N2CCC[C@@H]([NH+]3CCOCC3)CC2)nc1 ZINC000563423587 421507463 /nfs/dbraw/zinc/50/74/63/421507463.db2.gz NSQXCVGJGIWKDN-GFCCVEGCSA-N 1 0 307.354 1.076 20 5 DDBDRO CNc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000520371551 421748254 /nfs/dbraw/zinc/74/82/54/421748254.db2.gz XGPMTTOAUPVEFC-CYBMUJFWSA-N 1 0 318.377 1.945 20 5 DDBDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C1 ZINC000522167699 421817769 /nfs/dbraw/zinc/81/77/69/421817769.db2.gz YXZPBYLRAOAIBT-SNVBAGLBSA-N 1 0 308.338 1.156 20 5 DDBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])CCN1CCCC1=O ZINC000522165427 421817795 /nfs/dbraw/zinc/81/77/95/421817795.db2.gz SCGUNYMQGZFZFE-UHFFFAOYSA-N 1 0 307.350 1.528 20 5 DDBDRO CNc1ccc(C(=O)N2CC[N@H+](C)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000522188790 421819152 /nfs/dbraw/zinc/81/91/52/421819152.db2.gz IPOGNXAPVPBNEK-NSHDSACASA-N 1 0 306.366 1.803 20 5 DDBDRO Nc1nccc(C(=O)NCC2CC[NH+](C3CC3)CC2)c1[N+](=O)[O-] ZINC000572495450 421794719 /nfs/dbraw/zinc/79/47/19/421794719.db2.gz QOVWDZSNVSQOMN-UHFFFAOYSA-N 1 0 319.365 1.176 20 5 DDBDRO COC[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)C(C)C ZINC000541595728 421799272 /nfs/dbraw/zinc/79/92/72/421799272.db2.gz XQWLZJSXKUHUEZ-ZFWWWQNUSA-N 1 0 312.366 1.595 20 5 DDBDRO Cc1cc(NC[C@@H](C)S(C)(=O)=O)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000543979459 421842710 /nfs/dbraw/zinc/84/27/10/421842710.db2.gz MQWCJSQBEATDEJ-SNVBAGLBSA-N 1 0 323.374 1.718 20 5 DDBDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000580929552 421865133 /nfs/dbraw/zinc/86/51/33/421865133.db2.gz AELAQLHYCOGKQJ-LLVKDONJSA-N 1 0 309.370 1.702 20 5 DDBDRO CCCc1n[nH]c(C(=O)N2CC3CCC2(C[NH3+])CC3)c1[N+](=O)[O-] ZINC000581436403 421972737 /nfs/dbraw/zinc/97/27/37/421972737.db2.gz GUTNKHSTDHEGBF-UHFFFAOYSA-N 1 0 321.381 1.614 20 5 DDBDRO O=C(CC[NH2+]CCC1(O)CCC1)Nc1ccccc1[N+](=O)[O-] ZINC000583990231 422234554 /nfs/dbraw/zinc/23/45/54/422234554.db2.gz OFIWJFCFUQJMAR-UHFFFAOYSA-N 1 0 307.350 1.818 20 5 DDBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000575933690 422351514 /nfs/dbraw/zinc/35/15/14/422351514.db2.gz SJKRPOPHRIBXLV-MNOVXSKESA-N 1 0 319.365 1.271 20 5 DDBDRO C[NH+](C)[C@H]1C[C@@H](CNc2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000594591849 422352540 /nfs/dbraw/zinc/35/25/40/422352540.db2.gz NEFAIXIHMGKJOQ-XYPYZODXSA-N 1 0 301.350 2.290 20 5 DDBDRO Nc1ccc(NC[C@@H](c2ccco2)[NH+]2CCCC2)nc1[N+](=O)[O-] ZINC000590570271 422320071 /nfs/dbraw/zinc/32/00/71/422320071.db2.gz YEILSNWUJKZOQV-LBPRGKRZSA-N 1 0 317.349 2.414 20 5 DDBDRO O=c1onc(-c2ccc([N+](=O)[O-])cc2)n1CC1CC[NH2+]CC1 ZINC000578864852 422662188 /nfs/dbraw/zinc/66/21/88/422662188.db2.gz WDFFNWDBHKUUMF-UHFFFAOYSA-N 1 0 304.306 1.411 20 5 DDBDRO CNS(=O)(=O)CCC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000341573594 271124920 /nfs/dbraw/zinc/12/49/20/271124920.db2.gz MDOPHVRSXLADDS-JTQLQIEISA-N 1 0 301.368 1.185 20 5 DDBDRO CCCN(CC[NH+]1CCCC1)C(=O)c1cc([N+](=O)[O-])nn1C ZINC000342190653 271334414 /nfs/dbraw/zinc/33/44/14/271334414.db2.gz CSIJUHUHLSEZMG-UHFFFAOYSA-N 1 0 309.370 1.276 20 5 DDBDRO CNC(=O)[C@H](CCSC)[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000342321445 271375585 /nfs/dbraw/zinc/37/55/85/271375585.db2.gz WUONUGUBICLDTI-ZDUSSCGKSA-N 1 0 311.407 1.861 20 5 DDBDRO CC[NH+]1C[C@@H](C)N(C(=O)COc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000344429307 272023964 /nfs/dbraw/zinc/02/39/64/272023964.db2.gz RFYJKANGFITYHW-CHWSQXEVSA-N 1 0 321.377 1.915 20 5 DDBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@H]1CCCS(=O)(=O)C1 ZINC000344547057 272056029 /nfs/dbraw/zinc/05/60/29/272056029.db2.gz ZPSLOIMMJBDATF-RJNRQISESA-N 1 0 310.375 1.775 20 5 DDBDRO C[C@H]([NH2+][C@@H](C)[C@H]1CCOC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000266320086 274518847 /nfs/dbraw/zinc/51/88/47/274518847.db2.gz RVGDKYMPBQVQQS-SRVKXCTJSA-N 1 0 307.350 1.936 20 5 DDBDRO O=c1[nH]c(N2CC[NH+](C3CC3)CC2)nc2ccc([N+](=O)[O-])cc21 ZINC000280671534 275038996 /nfs/dbraw/zinc/03/89/96/275038996.db2.gz CNNHNOXFMYBQFB-UHFFFAOYSA-N 1 0 315.333 1.528 20 5 DDBDRO CCOc1cc(C(=O)N[C@@H](C)[C@H](C)[NH3+])c([N+](=O)[O-])cc1OC ZINC000449597825 276368794 /nfs/dbraw/zinc/36/87/94/276368794.db2.gz ZXGJBYIGMSSOAF-IUCAKERBSA-N 1 0 311.338 1.468 20 5 DDBDRO CN(C)C(=O)CC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000178292344 276751225 /nfs/dbraw/zinc/75/12/25/276751225.db2.gz GUJFWGKYXDKYMI-CQSZACIVSA-N 1 0 305.378 1.984 20 5 DDBDRO C[NH+](C)CC1(CNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CCCC1 ZINC000185450844 276757570 /nfs/dbraw/zinc/75/75/70/276757570.db2.gz WVXIUZPSHDCMQG-UHFFFAOYSA-N 1 0 322.365 1.547 20 5 DDBDRO C[N@@H+]1CCCC[C@@H]1CN1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000264553280 277045278 /nfs/dbraw/zinc/04/52/78/277045278.db2.gz SBTYMDMGBUGNEY-OAHLLOKOSA-N 1 0 319.409 1.596 20 5 DDBDRO C[NH2+]C[C@@H]1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000420186964 277280092 /nfs/dbraw/zinc/28/00/92/277280092.db2.gz LLFJZMDITROUCO-JTQLQIEISA-N 1 0 303.322 1.691 20 5 DDBDRO CO[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2C)[C@H](C[NH3+])C1 ZINC000262372471 277741867 /nfs/dbraw/zinc/74/18/67/277741867.db2.gz XOSVRJKKIYQGSO-STQMWFEESA-N 1 0 307.350 1.482 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)c1[N+](=O)[O-] ZINC000272672220 278000708 /nfs/dbraw/zinc/00/07/08/278000708.db2.gz TYOQGPOYXPPVKK-WDEREUQCSA-N 1 0 321.381 1.608 20 5 DDBDRO CS[C@@H]1CN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H]1[NH+](C)C ZINC000278165306 278157460 /nfs/dbraw/zinc/15/74/60/278157460.db2.gz ASWWARPGLORLCY-CHWSQXEVSA-N 1 0 321.406 1.953 20 5 DDBDRO C[C@@H]([NH3+])[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000420434731 278315982 /nfs/dbraw/zinc/31/59/82/278315982.db2.gz FJNAHYPBHMVHQH-BDAKNGLRSA-N 1 0 324.362 1.157 20 5 DDBDRO C[C@@H]([NH3+])[C@H]1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000420241621 278318546 /nfs/dbraw/zinc/31/85/46/278318546.db2.gz VTXYYXWMSCBVEF-KOLCDFICSA-N 1 0 303.322 1.818 20 5 DDBDRO Cn1ccnc1[C@H]1C[NH2+]CCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000261745744 279379565 /nfs/dbraw/zinc/37/95/65/279379565.db2.gz LFMWEERYUZVSND-CQSZACIVSA-N 1 0 319.340 1.614 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)[C@@H](C)C[NH3+])cc1C ZINC000237489026 280655053 /nfs/dbraw/zinc/65/50/53/280655053.db2.gz XTYWTOYSTCUYJK-JTQLQIEISA-N 1 0 301.368 1.179 20 5 DDBDRO COc1ccc(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c(C)c1 ZINC000573237152 304585103 /nfs/dbraw/zinc/58/51/03/304585103.db2.gz ZOKCIQOSRPDXLP-CQSZACIVSA-N 1 0 320.349 1.259 20 5 DDBDRO CCOc1ccc(C(=O)NC[C@H]2CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000354233670 298375611 /nfs/dbraw/zinc/37/56/11/298375611.db2.gz AMGAJODIZOSZPC-LLVKDONJSA-N 1 0 307.350 1.675 20 5 DDBDRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)Nc1ccc([N+](=O)[O-])cc1 ZINC000363094665 300209848 /nfs/dbraw/zinc/20/98/48/300209848.db2.gz GGYUPMQZFODIRT-KGLIPLIRSA-N 1 0 320.349 1.580 20 5 DDBDRO CNC(=O)c1ccc(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000363099275 300210959 /nfs/dbraw/zinc/21/09/59/300210959.db2.gz FQVFTMVTMDHMAQ-STQMWFEESA-N 1 0 318.377 1.993 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCOCC1 ZINC000363379029 300259855 /nfs/dbraw/zinc/25/98/55/300259855.db2.gz JQLNMWGOJHXXRL-UHFFFAOYSA-N 1 0 307.350 1.954 20 5 DDBDRO CCC[C@@H](C(=O)N1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1)[NH+](C)C ZINC000364366909 300385030 /nfs/dbraw/zinc/38/50/30/300385030.db2.gz AESNPONYBJLGTP-JSGCOSHPSA-N 1 0 323.397 1.685 20 5 DDBDRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000261964067 300413177 /nfs/dbraw/zinc/41/31/77/300413177.db2.gz MQRHXPZOKGKOLF-UWVGGRQHSA-N 1 0 321.333 1.175 20 5 DDBDRO O=C(NC1CC[NH+](Cc2cccs2)CC1)[C@H]1C[C@@H]1[N+](=O)[O-] ZINC000368804895 301090052 /nfs/dbraw/zinc/09/00/52/301090052.db2.gz JTJXZFHMJMFIFD-STQMWFEESA-N 1 0 309.391 1.494 20 5 DDBDRO Cc1nc(C2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)no1 ZINC000370026800 301260503 /nfs/dbraw/zinc/26/05/03/301260503.db2.gz LUNLWCSYCASNRU-UHFFFAOYSA-N 1 0 306.326 1.362 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1cccc2c1C[NH2+]CC2 ZINC000375992131 302019958 /nfs/dbraw/zinc/01/99/58/302019958.db2.gz MZFXYFUHHGWTNB-UHFFFAOYSA-N 1 0 315.333 1.384 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCN(CC[NH+](C)C)CC1 ZINC000298172489 302037717 /nfs/dbraw/zinc/03/77/17/302037717.db2.gz TULYMXFXIGIALE-UHFFFAOYSA-N 1 0 320.393 1.223 20 5 DDBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000377817374 302238382 /nfs/dbraw/zinc/23/83/82/302238382.db2.gz SEWQPDFTUBYSBF-JKSUJKDBSA-N 1 0 317.389 1.889 20 5 DDBDRO Cc1cc(NC[C@@H]2CNC(=O)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000398274439 302357730 /nfs/dbraw/zinc/35/77/30/302357730.db2.gz ADDMAMGNOHNCNS-SNVBAGLBSA-N 1 0 300.318 1.421 20 5 DDBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CC1(CO)CCOCC1 ZINC000519762241 302853159 /nfs/dbraw/zinc/85/31/59/302853159.db2.gz ASVQRBTWDCFIOZ-CQSZACIVSA-N 1 0 306.362 1.961 20 5 DDBDRO CC(C)[C@H](C(=O)NCCOc1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000531598725 303251246 /nfs/dbraw/zinc/25/12/46/303251246.db2.gz OIFOLRZKIPGJKT-CQSZACIVSA-N 1 0 309.366 1.676 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000532909338 303301690 /nfs/dbraw/zinc/30/16/90/303301690.db2.gz FJRGVMMFGFAROE-NSHDSACASA-N 1 0 323.397 1.901 20 5 DDBDRO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000537718948 303378293 /nfs/dbraw/zinc/37/82/93/303378293.db2.gz XAQVYZTYERHIQZ-ZDUSSCGKSA-N 1 0 309.366 1.417 20 5 DDBDRO Cn1cc(C(C)(C)[NH2+]CCn2cc([N+](=O)[O-])ccc2=O)cn1 ZINC000546001183 303508008 /nfs/dbraw/zinc/50/80/08/303508008.db2.gz PAXCRTGPYPFGNT-UHFFFAOYSA-N 1 0 305.338 1.015 20 5 DDBDRO C[C@H]1C[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@@H]1CO ZINC000362075629 307013102 /nfs/dbraw/zinc/01/31/02/307013102.db2.gz ISMIGBUSOBAZOO-WCQYABFASA-N 1 0 319.361 1.044 20 5 DDBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000362254292 307015650 /nfs/dbraw/zinc/01/56/50/307015650.db2.gz ZFTWMTJZXLPMRR-GFCCVEGCSA-N 1 0 308.382 1.737 20 5 DDBDRO COc1ccc(C[NH2+][C@@H]2CCc3c[nH]nc3C2)cc1[N+](=O)[O-] ZINC000363938666 307038208 /nfs/dbraw/zinc/03/82/08/307038208.db2.gz PIERUSWZGFHYBY-GFCCVEGCSA-N 1 0 302.334 1.974 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)[C@@H]1CCC[NH2+]CC1 ZINC000364639400 307049089 /nfs/dbraw/zinc/04/90/89/307049089.db2.gz BSYHZBXMRBAOKW-GFCCVEGCSA-N 1 0 309.370 1.090 20 5 DDBDRO O=[N+]([O-])c1c(F)cccc1N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000368532950 307104657 /nfs/dbraw/zinc/10/46/57/307104657.db2.gz RWSOHNZUHNJRJM-JSGCOSHPSA-N 1 0 309.341 1.769 20 5 DDBDRO COCC[C@@]1(C(=O)NCCc2ccccc2[N+](=O)[O-])CC[NH2+]C1 ZINC000370778240 307136201 /nfs/dbraw/zinc/13/62/01/307136201.db2.gz DSJBAXGIBHKXAL-INIZCTEOSA-N 1 0 321.377 1.270 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1C[C@H](C)[NH2+]C[C@H]1C ZINC000415570328 307299040 /nfs/dbraw/zinc/29/90/40/307299040.db2.gz SGIRJHDPGSULPV-WDEREUQCSA-N 1 0 320.349 1.051 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000525683826 307484530 /nfs/dbraw/zinc/48/45/30/307484530.db2.gz CKJWUXDEPOMXFQ-ZDUSSCGKSA-N 1 0 320.393 1.881 20 5 DDBDRO Cc1c(NC(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+])cccc1[N+](=O)[O-] ZINC000566227938 308050102 /nfs/dbraw/zinc/05/01/02/308050102.db2.gz QVWVMMOUOOOTQP-BDAKNGLRSA-N 1 0 308.338 1.084 20 5 DDBDRO [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000567587601 308085891 /nfs/dbraw/zinc/08/58/91/308085891.db2.gz WROMBIFAMAEXPB-CABCVRRESA-N 1 0 319.361 1.563 20 5 DDBDRO C/C=C\C[C@H](CO)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000570515882 308171952 /nfs/dbraw/zinc/17/19/52/308171952.db2.gz XKDZOBPCKNROHX-FAQRPARDSA-N 1 0 310.350 1.251 20 5 DDBDRO O=C(CNc1ccccc1[N+](=O)[O-])N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000573207933 308234124 /nfs/dbraw/zinc/23/41/24/308234124.db2.gz VTPBYPBRDCGLRB-MRXNPFEDSA-N 1 0 318.377 1.609 20 5 DDBDRO Cc1cc(S(=O)(=O)NCC2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000573605918 308246804 /nfs/dbraw/zinc/24/68/04/308246804.db2.gz CMMPWQFNDHPDRH-UHFFFAOYSA-N 1 0 313.379 1.181 20 5 DDBDRO COc1ccc(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c(F)c1 ZINC000573835161 308253033 /nfs/dbraw/zinc/25/30/33/308253033.db2.gz LAZKOANFFOYZJS-GFCCVEGCSA-N 1 0 324.312 1.090 20 5 DDBDRO C[C@@H](C(=O)NC[C@@H]1C[N@H+](C)CCN1C)c1cccc([N+](=O)[O-])c1 ZINC000576417990 308313489 /nfs/dbraw/zinc/31/34/89/308313489.db2.gz JABILEHYQLUWAJ-IUODEOHRSA-N 1 0 320.393 1.060 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@H]1CCC[C@@H]1O ZINC000576637153 308328815 /nfs/dbraw/zinc/32/88/15/308328815.db2.gz QWHUIBQFKNGDPC-BZPMIXESSA-N 1 0 310.350 1.085 20 5 DDBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000576974353 308353815 /nfs/dbraw/zinc/35/38/15/308353815.db2.gz ZDJLATICECYHGE-JTQLQIEISA-N 1 0 321.333 1.490 20 5 DDBDRO Cc1cc(N2CC[C@H](CO)[C@@H](O)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000579658160 308547120 /nfs/dbraw/zinc/54/71/20/308547120.db2.gz VXYXXTLJMSUYFP-BZNIZROVSA-N 1 0 317.345 1.631 20 5 DDBDRO C[C@@H]([NH3+])[C@@H](C)NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000381420331 325741942 /nfs/dbraw/zinc/74/19/42/325741942.db2.gz AIODSEAQKAZPII-RNFRBKRXSA-N 1 0 316.155 1.823 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)C2CC([NH3+])C2)cc1C ZINC000385094804 325753483 /nfs/dbraw/zinc/75/34/83/325753483.db2.gz YPKUPCXXDVNTHB-UHFFFAOYSA-N 1 0 313.379 1.322 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000581998104 325950002 /nfs/dbraw/zinc/95/00/02/325950002.db2.gz UZINVPGMSXCWAH-HNNXBMFYSA-N 1 0 304.350 1.514 20 5 DDBDRO C[C@@]1(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)CCC[NH2+]C1 ZINC000584351773 336067009 /nfs/dbraw/zinc/06/70/09/336067009.db2.gz JFGDGSASYORRAB-OAHLLOKOSA-N 1 0 307.350 1.480 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2[C@H](C)CC[NH2+][C@@H]2C)c1 ZINC000583199070 337266350 /nfs/dbraw/zinc/26/63/50/337266350.db2.gz XCXBVZYKWXBMFH-GPCCPHFNSA-N 1 0 307.350 1.720 20 5 DDBDRO CN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@@H](C[NH3+])C1CC1 ZINC000359893947 500775524 /nfs/dbraw/zinc/77/55/24/500775524.db2.gz CVMNAKHRVBNTKQ-ZDUSSCGKSA-N 1 0 317.349 1.814 20 5 DDBDRO C[C@@H](C[NH3+])N(C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000435388567 533789603 /nfs/dbraw/zinc/78/96/03/533789603.db2.gz GNNLZHZSUNFQJH-NSHDSACASA-N 1 0 303.366 1.774 20 5 DDBDRO Cc1c(C(=O)NC[C@H](C)C[NH+](C)C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000293750179 533791208 /nfs/dbraw/zinc/79/12/08/533791208.db2.gz MDCDNYMLWQGSPR-VIFPVBQESA-N 1 0 324.337 1.739 20 5 DDBDRO C[C@@H](O)[C@@H](CO)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000419807680 533790907 /nfs/dbraw/zinc/79/09/07/533790907.db2.gz IUIRJAWASRHWMF-GMSGAONNSA-N 1 0 306.265 1.028 20 5 DDBDRO C[C@H]([NH2+]CC(=O)NC[C@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000299612914 533826453 /nfs/dbraw/zinc/82/64/53/533826453.db2.gz JAHNIGNPMMQGTP-SMDDNHRTSA-N 1 0 307.350 1.541 20 5 DDBDRO C[C@H]1CN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC[NH2+]1 ZINC000420342598 533962416 /nfs/dbraw/zinc/96/24/16/533962416.db2.gz XBRPEWRJZCLCOQ-JTQLQIEISA-N 1 0 303.322 1.439 20 5 DDBDRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000417238245 534014261 /nfs/dbraw/zinc/01/42/61/534014261.db2.gz YCAXZMYCSAEMSQ-SMDDNHRTSA-N 1 0 306.366 1.435 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@@H]([C@@H](CO)C1CC1)C1CC1 ZINC000451615862 534320264 /nfs/dbraw/zinc/32/02/64/534320264.db2.gz UWDJYBGLLNJQHT-GOEBONIOSA-N 1 0 321.377 1.143 20 5 DDBDRO O=C(COc1cccc([N+](=O)[O-])c1)NCCC[C@@H]1CCC[NH2+]1 ZINC000294733710 534631407 /nfs/dbraw/zinc/63/14/07/534631407.db2.gz BVRPIFRDFRCRBZ-LBPRGKRZSA-N 1 0 307.350 1.622 20 5 DDBDRO [NH3+]C[C@@H]1CCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000417721069 534685762 /nfs/dbraw/zinc/68/57/62/534685762.db2.gz SZNVQQJTCFRIIX-AWEZNQCLSA-N 1 0 320.393 1.908 20 5 DDBDRO O=C(c1ccc([N+](=O)[O-])o1)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000443870659 534719652 /nfs/dbraw/zinc/71/96/52/534719652.db2.gz VAANIBAOASFFSF-LBPRGKRZSA-N 1 0 323.349 1.515 20 5 DDBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1C[C@H](O)C[C@@H]1[C@@H]1CCCOC1 ZINC000451300860 534887301 /nfs/dbraw/zinc/88/73/01/534887301.db2.gz MREMEGJMKQVKRJ-IIAWOOMASA-N 1 0 306.362 1.957 20 5 DDBDRO CCOC(=O)c1cc(C(=O)NC[C@@H]([NH3+])C(C)C)cc([N+](=O)[O-])c1 ZINC000422845898 528146598 /nfs/dbraw/zinc/14/65/98/528146598.db2.gz DARIEZCNSOCEHN-CYBMUJFWSA-N 1 0 323.349 1.485 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC[NH2+]C2)c1 ZINC000422757241 528611687 /nfs/dbraw/zinc/61/16/87/528611687.db2.gz IMFHVTANLUXRSH-LLVKDONJSA-N 1 0 307.350 1.723 20 5 DDBDRO CCC[C@@H](O)[C@@H](CO)[NH2+]Cc1cc([N+](=O)[O-])ccc1OCC ZINC000419818090 529057742 /nfs/dbraw/zinc/05/77/42/529057742.db2.gz LBKFVUBDRQMUDR-ZIAGYGMSSA-N 1 0 312.366 1.605 20 5 DDBDRO CC[NH+](CC)CCCNc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000821189511 599381393 /nfs/dbraw/zinc/38/13/93/599381393.db2.gz NKFZATZSWXDMAS-UHFFFAOYSA-N 1 0 320.357 1.314 20 5 DDBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C2CCS(=O)(=O)CC2)c1 ZINC000036331429 696130123 /nfs/dbraw/zinc/13/01/23/696130123.db2.gz VSDPJQDVSZLNLF-UHFFFAOYSA-N 1 0 318.782 1.915 20 5 DDBDRO O=[N+]([O-])c1cccc(-c2noc(C[C@@H]3CSCC[NH2+]3)n2)c1 ZINC000091128914 696585882 /nfs/dbraw/zinc/58/58/82/696585882.db2.gz XAVBPRGQCAZVIR-SNVBAGLBSA-N 1 0 306.347 1.892 20 5 DDBDRO COCC[N@H+](C)CCNC(=O)c1cc(F)cc(C)c1[N+](=O)[O-] ZINC000176801737 697406441 /nfs/dbraw/zinc/40/64/41/697406441.db2.gz YVPDCSSKVPRWKT-UHFFFAOYSA-N 1 0 313.329 1.350 20 5 DDBDRO [NH3+]C[C@@H]1CCN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000178560391 697425976 /nfs/dbraw/zinc/42/59/76/697425976.db2.gz FJQSYUYQSDEICS-NSHDSACASA-N 1 0 315.333 1.201 20 5 DDBDRO Cc1cc(C(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)c(N)c([N+](=O)[O-])c1 ZINC000749388546 700161012 /nfs/dbraw/zinc/16/10/12/700161012.db2.gz ZJAHZXWXDHPHCQ-LBPRGKRZSA-N 1 0 318.377 1.794 20 5 DDBDRO COCC[C@]1([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CCOC1 ZINC000773947160 697825730 /nfs/dbraw/zinc/82/57/30/697825730.db2.gz DIZPCSYFLFRVKR-GJZGRUSLSA-N 1 0 310.350 1.413 20 5 DDBDRO O=C(CC[NH2+]C[C@@H](O)c1ccco1)Nc1ccccc1[N+](=O)[O-] ZINC000799993608 700179600 /nfs/dbraw/zinc/17/96/00/700179600.db2.gz ITJXHJTUBDBSTF-CYBMUJFWSA-N 1 0 319.317 1.840 20 5 DDBDRO C[C@@H](CN1CCCC1=O)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776278218 698091191 /nfs/dbraw/zinc/09/11/91/698091191.db2.gz SJBCAGWSNDFKAS-FZMZJTMJSA-N 1 0 307.350 1.229 20 5 DDBDRO Cn1ccnc1[C@H]1C[NH2+]CCN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000261714265 698434257 /nfs/dbraw/zinc/43/42/57/698434257.db2.gz HPXUHBAGJZVRQP-CQSZACIVSA-N 1 0 319.340 1.614 20 5 DDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000420413672 699139508 /nfs/dbraw/zinc/13/95/08/699139508.db2.gz ZWCGWUGTIRDENY-MLGOLLRUSA-N 1 0 318.377 1.750 20 5 DDBDRO CON(C)C(=O)CC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000788009004 699266329 /nfs/dbraw/zinc/26/63/29/699266329.db2.gz KDNIGSLRXVFKBT-UHFFFAOYSA-N 1 0 322.365 1.127 20 5 DDBDRO CON(C)C(=O)CC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000788011463 699266844 /nfs/dbraw/zinc/26/68/44/699266844.db2.gz IROYVMFKXLZGGU-UHFFFAOYSA-N 1 0 322.365 1.127 20 5 DDBDRO COCC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788526262 699321301 /nfs/dbraw/zinc/32/13/01/699321301.db2.gz ONTOHIGVDKCQEX-LBPRGKRZSA-N 1 0 310.398 1.796 20 5 DDBDRO COC(=O)COc1ccc(C[NH2+][C@@H](CO)C2CC2)cc1[N+](=O)[O-] ZINC000788966323 699351200 /nfs/dbraw/zinc/35/12/00/699351200.db2.gz XKHKTNZJZNUSHQ-LBPRGKRZSA-N 1 0 324.333 1.007 20 5 DDBDRO COc1ccc(CC(=O)N[C@H](C[NH+](C)C)C(C)C)cc1[N+](=O)[O-] ZINC000727862671 699428455 /nfs/dbraw/zinc/42/84/55/699428455.db2.gz PHVKSSHBJRBOCK-CYBMUJFWSA-N 1 0 323.393 1.848 20 5 DDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC[C@H]([NH2+]C(C)C)C1 ZINC000733300520 699587709 /nfs/dbraw/zinc/58/77/09/699587709.db2.gz VDHBDIQNBZKEGE-LBPRGKRZSA-N 1 0 320.393 1.921 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3c(N)cccc3[N+](=O)[O-])C[C@@H]2C1 ZINC000793934996 699787922 /nfs/dbraw/zinc/78/79/22/699787922.db2.gz JDLQHQHFLKWDPH-MNOVXSKESA-N 1 0 304.350 1.201 20 5 DDBDRO C[NH+]1CCC(CNC(=S)NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000760477453 700809942 /nfs/dbraw/zinc/80/99/42/700809942.db2.gz HQDBWBVGQPYJAL-UHFFFAOYSA-N 1 0 322.434 1.901 20 5 DDBDRO Cc1c(NC(=O)CCN2CC[N@H+](C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000761074559 700839080 /nfs/dbraw/zinc/83/90/80/700839080.db2.gz CRUHNLGPUIYJJU-GFCCVEGCSA-N 1 0 320.393 1.868 20 5 DDBDRO COC(=O)c1cc(C)nc(NCC[N@@H+]2CCC[C@H]2C)c1[N+](=O)[O-] ZINC000804520571 701197383 /nfs/dbraw/zinc/19/73/83/701197383.db2.gz GEWLUOKDGQLKFQ-LLVKDONJSA-N 1 0 322.365 1.981 20 5 DDBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000804777707 701211937 /nfs/dbraw/zinc/21/19/37/701211937.db2.gz JCEATWGOIDGPEV-LBPRGKRZSA-N 1 0 306.366 1.781 20 5 DDBDRO COCCC1(NC(=O)c2ccc([N+](=O)[O-])cc2C)CC[NH2+]CC1 ZINC000868041850 701907370 /nfs/dbraw/zinc/90/73/70/701907370.db2.gz FXTNVCLZJCDSTK-UHFFFAOYSA-N 1 0 321.377 1.792 20 5 DDBDRO C[NH+](C)CCCOc1cccc(NC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC000840339582 702075586 /nfs/dbraw/zinc/07/55/86/702075586.db2.gz XCIWCTGPPNEESQ-ZIAGYGMSSA-N 1 0 307.350 1.621 20 5 DDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000866204651 706648148 /nfs/dbraw/zinc/64/81/48/706648148.db2.gz FMUURESLXBONGC-FZMZJTMJSA-N 1 0 318.377 1.485 20 5 DDBDRO Cc1cc(C(=O)N2CC[C@H]3C[N@@H+](C)C[C@H]32)c(N)c([N+](=O)[O-])c1 ZINC000816949335 702233453 /nfs/dbraw/zinc/23/34/53/702233453.db2.gz TUIPTCMYZSUVIR-GXFFZTMASA-N 1 0 304.350 1.262 20 5 DDBDRO CC[NH+]1CCN(c2ccc(C(=O)OC[C@H](C)[N+](=O)[O-])cc2)CC1 ZINC000813110914 702297376 /nfs/dbraw/zinc/29/73/76/702297376.db2.gz LVOYCXDGZYTLGI-ZDUSSCGKSA-N 1 0 321.377 1.651 20 5 DDBDRO COC[C@H](CCO)[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866270907 706662152 /nfs/dbraw/zinc/66/21/52/706662152.db2.gz XQPXEKTVFZQWTH-MFKMUULPSA-N 1 0 300.330 1.652 20 5 DDBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]Cc1nnnn1C1CC1 ZINC000866302353 706669514 /nfs/dbraw/zinc/66/95/14/706669514.db2.gz BKHQRHXYWLAWTO-VIFPVBQESA-N 1 0 320.328 1.776 20 5 DDBDRO C[NH2+]CCCN(C)C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000818015061 702554496 /nfs/dbraw/zinc/55/44/96/702554496.db2.gz QXBLXXGTEUYDBO-UHFFFAOYSA-N 1 0 305.338 1.012 20 5 DDBDRO O=C(NCC[NH2+]C1CC1)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000841855217 702588737 /nfs/dbraw/zinc/58/87/37/702588737.db2.gz ILOXBZPFLGZXCK-UHFFFAOYSA-N 1 0 312.757 1.799 20 5 DDBDRO C[C@H](C[NH3+])CNC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000841962581 702637296 /nfs/dbraw/zinc/63/72/96/702637296.db2.gz LAYCUIYQZUZJQV-GFCCVEGCSA-N 1 0 321.381 1.021 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@@H](C)[C@@H](C)[NH3+])c1 ZINC000842881931 702786630 /nfs/dbraw/zinc/78/66/30/702786630.db2.gz MIRZLFSBRLWYSO-SFYZADRCSA-N 1 0 321.786 1.571 20 5 DDBDRO C[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@H](O)C(F)(F)F ZINC000843059765 702809989 /nfs/dbraw/zinc/80/99/89/702809989.db2.gz NBEHKXIQRBRCBI-SWPVVBRQSA-N 1 0 308.256 1.530 20 5 DDBDRO CC[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H](O)C(F)(F)F ZINC000843090520 702816799 /nfs/dbraw/zinc/81/67/99/702816799.db2.gz YIIPTUIKWHBWPV-SDDRHHMPSA-N 1 0 322.283 1.920 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H](CO)CN2CCCCC2)c1 ZINC000843113555 702821558 /nfs/dbraw/zinc/82/15/58/702821558.db2.gz WZPCSHJMYZXRBC-GDBMZVCRSA-N 1 0 323.393 1.065 20 5 DDBDRO C[C@@H](Cc1nc(-c2c([N+](=O)[O-])ncn2C)no1)C1CC[NH2+]CC1 ZINC000843223908 702845494 /nfs/dbraw/zinc/84/54/94/702845494.db2.gz XHXQBRSYCQKQJB-VIFPVBQESA-N 1 0 320.353 1.557 20 5 DDBDRO O=C(NC[C@H]1CCCC[NH2+]1)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000843257814 702850429 /nfs/dbraw/zinc/85/04/29/702850429.db2.gz VZXUXUSSYGCQKU-SECBINFHSA-N 1 0 321.362 1.471 20 5 DDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(OCCC[NH3+])CC1 ZINC000843356214 702865540 /nfs/dbraw/zinc/86/55/40/702865540.db2.gz HNFVLZKVKUTSCK-UHFFFAOYSA-N 1 0 322.365 1.147 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N(C)C2CC([NH3+])C2)cc1[N+](=O)[O-] ZINC000843483901 702890684 /nfs/dbraw/zinc/89/06/84/702890684.db2.gz KQDWMNLRRYZRTL-UHFFFAOYSA-N 1 0 308.294 1.373 20 5 DDBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCCN1CC[NH+](C)CC1 ZINC000843759145 702920432 /nfs/dbraw/zinc/92/04/32/702920432.db2.gz IYZBUYGMDGOZMB-UHFFFAOYSA-N 1 0 324.356 1.020 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)c1 ZINC000844448733 703033043 /nfs/dbraw/zinc/03/30/43/703033043.db2.gz GSFHVDIUPZWQGM-WCFLWFBJSA-N 1 0 314.288 1.531 20 5 DDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N(C)CC[NH+]1CCCCC1 ZINC000845766004 703197893 /nfs/dbraw/zinc/19/78/93/703197893.db2.gz DBXRAQIPVSJTIJ-UHFFFAOYSA-N 1 0 320.393 1.877 20 5 DDBDRO COCCC[N@H+](C)CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848474620 703554631 /nfs/dbraw/zinc/55/46/31/703554631.db2.gz FFFXIHNSNCUYBI-HNNXBMFYSA-N 1 0 321.377 1.837 20 5 DDBDRO CCC(O)(CC)C(C)(C)[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000879698395 706764288 /nfs/dbraw/zinc/76/42/88/706764288.db2.gz WVIMVAXHMMGXHG-UHFFFAOYSA-N 1 0 311.382 1.676 20 5 DDBDRO COCC1([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000852090535 703920446 /nfs/dbraw/zinc/92/04/46/703920446.db2.gz NKFQZKXJDVTEMO-AWEZNQCLSA-N 1 0 310.350 1.413 20 5 DDBDRO CO[C@@H]1CC[C@H]([NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)C1 ZINC000852151078 703946229 /nfs/dbraw/zinc/94/62/29/703946229.db2.gz CXCMERGIFRHUHL-QWHCGFSZSA-N 1 0 306.366 1.679 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CC[C@H](Cn3ccnn3)C2)c1 ZINC000852314409 704007736 /nfs/dbraw/zinc/00/77/36/704007736.db2.gz SKLMQWZKHGTNQG-WFASDCNBSA-N 1 0 317.349 1.242 20 5 DDBDRO Cc1ccc(NCCC[NH2+]CCS(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000819092881 704068954 /nfs/dbraw/zinc/06/89/54/704068954.db2.gz GPEIQDGSHPHACB-UHFFFAOYSA-N 1 0 315.395 1.339 20 5 DDBDRO CCS(=O)(=O)CC[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000819091138 704068976 /nfs/dbraw/zinc/06/89/76/704068976.db2.gz CAEWVYUNOFDXDJ-UHFFFAOYSA-N 1 0 314.407 1.942 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]Cc2cccc(CO)c2)c1 ZINC000819148280 704076387 /nfs/dbraw/zinc/07/63/87/704076387.db2.gz RXOKVRPWFLEUIH-INIZCTEOSA-N 1 0 302.330 1.910 20 5 DDBDRO Cc1cc(C[C@H](C)[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000819177548 704082144 /nfs/dbraw/zinc/08/21/44/704082144.db2.gz OFNDMLVRVBEVSI-BONVTDFDSA-N 1 0 304.350 1.881 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C[C@@H]1CCC=CO1 ZINC000819246701 704094503 /nfs/dbraw/zinc/09/45/03/704094503.db2.gz OYPRVTNZXDOLSC-STQMWFEESA-N 1 0 308.334 1.617 20 5 DDBDRO COCCn1cc(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)cn1 ZINC000819288993 704101056 /nfs/dbraw/zinc/10/10/56/704101056.db2.gz BNDBOAWJPJNTDO-OAHLLOKOSA-N 1 0 320.349 1.261 20 5 DDBDRO C[S@@](=O)C1(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CCC1 ZINC000819286441 704101062 /nfs/dbraw/zinc/10/10/62/704101062.db2.gz OFXWKMNTEINTQK-YEJXKQKISA-N 1 0 312.391 1.519 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@@H]2CCN(CC(F)F)C2)cc1 ZINC000819378252 704116691 /nfs/dbraw/zinc/11/66/91/704116691.db2.gz XWMUMQGURHXTRV-YPMHNXCESA-N 1 0 315.320 1.557 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000871359295 704274331 /nfs/dbraw/zinc/27/43/31/704274331.db2.gz AIGMMEHRQLFWHQ-UHFFFAOYSA-N 1 0 309.370 1.321 20 5 DDBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000821753299 704438725 /nfs/dbraw/zinc/43/87/25/704438725.db2.gz DMHBZUHQWSQAOB-IMRBUKKESA-N 1 0 321.402 1.949 20 5 DDBDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000855165888 704471953 /nfs/dbraw/zinc/47/19/53/704471953.db2.gz ZTRFKZQOFIPPEU-SECBINFHSA-N 1 0 324.356 1.919 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1-c1noc(CC[C@@H]2CCC[NH2+]C2)n1 ZINC000857252195 704570505 /nfs/dbraw/zinc/57/05/05/704570505.db2.gz CDQCXOLIYUIAFG-VIFPVBQESA-N 1 0 306.326 1.311 20 5 DDBDRO Cc1c(Cc2noc([C@H]3C[NH2+]CCO3)n2)cccc1[N+](=O)[O-] ZINC000822861651 705063463 /nfs/dbraw/zinc/06/34/63/705063463.db2.gz DFFTWRZDZFSHPE-GFCCVEGCSA-N 1 0 304.306 1.538 20 5 DDBDRO CCCc1n[nH]c(C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)c1[N+](=O)[O-] ZINC000874836389 705193553 /nfs/dbraw/zinc/19/35/53/705193553.db2.gz CCQQCIVJAKQEKN-NEPJUHHUSA-N 1 0 321.381 1.579 20 5 DDBDRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000874845925 705200847 /nfs/dbraw/zinc/20/08/47/705200847.db2.gz YUROPSXLQFQSHA-CABCVRRESA-N 1 0 319.361 1.669 20 5 DDBDRO O=[N+]([O-])c1ccc(-c2nc(N3CC[NH2+]CC3)no2)c(Cl)c1 ZINC000823330091 705209201 /nfs/dbraw/zinc/20/92/01/705209201.db2.gz JWUZNIXAIORFFG-UHFFFAOYSA-N 1 0 309.713 1.708 20 5 DDBDRO Nc1ccc(C(=O)N[C@H](CC[NH3+])C(F)(F)F)cc1[N+](=O)[O-] ZINC000825200184 705623282 /nfs/dbraw/zinc/62/32/82/705623282.db2.gz BFUNZHWVULYKPA-SECBINFHSA-N 1 0 306.244 1.187 20 5 DDBDRO C[NH+](C)C1CCN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000825791174 705731277 /nfs/dbraw/zinc/73/12/77/705731277.db2.gz BICXJOXMTNIJSY-AWEZNQCLSA-N 1 0 307.350 1.181 20 5 DDBDRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000826713264 705854510 /nfs/dbraw/zinc/85/45/10/705854510.db2.gz RXJWEAVWBJVLOK-NSHDSACASA-N 1 0 324.356 1.100 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](O)c3cccc([N+](=O)[O-])c3)CC[C@H]21 ZINC000827244431 705958878 /nfs/dbraw/zinc/95/88/78/705958878.db2.gz AKXCSFVTEVAQMZ-BPLDGKMQSA-N 1 0 319.361 1.181 20 5 DDBDRO CCOc1ccc(NC(=O)CN(C)C[C@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000863565640 705959313 /nfs/dbraw/zinc/95/93/13/705959313.db2.gz PPXNVKPZWHJZKT-JTQLQIEISA-N 1 0 310.354 1.211 20 5 DDBDRO C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877094603 705981268 /nfs/dbraw/zinc/98/12/68/705981268.db2.gz LBDFFLVIPTUFTA-FIOSSMJISA-N 1 0 305.382 1.567 20 5 DDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]CCNc3ccccn3)C2)c1 ZINC000877149315 705997963 /nfs/dbraw/zinc/99/79/63/705997963.db2.gz LGVLONHDXIXHBY-UHFFFAOYSA-N 1 0 302.338 1.592 20 5 DDBDRO C[NH2+]C1(CNC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)CCC1 ZINC000863922176 706038502 /nfs/dbraw/zinc/03/85/02/706038502.db2.gz OUFDCRMERJSNQG-UHFFFAOYSA-N 1 0 324.356 1.672 20 5 DDBDRO O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000877265927 706040688 /nfs/dbraw/zinc/04/06/88/706040688.db2.gz LPTHKOYCYIZZHJ-GXFFZTMASA-N 1 0 307.325 1.948 20 5 DDBDRO CCOc1ccc(C(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)cc1[N+](=O)[O-] ZINC000877288647 706049818 /nfs/dbraw/zinc/04/98/18/706049818.db2.gz OZWDSAQKGWJLIU-STQMWFEESA-N 1 0 319.361 1.960 20 5 DDBDRO CCOC(=O)[C@H](C)C1CN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000871993182 707272174 /nfs/dbraw/zinc/27/21/74/707272174.db2.gz MHTJCIKNHLKMQT-IAQYHMDHSA-N 1 0 322.361 1.759 20 5 DDBDRO COC[C@@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)[C@@H]1CCCO1 ZINC000877490216 706121930 /nfs/dbraw/zinc/12/19/30/706121930.db2.gz UPYPVQPYJJKFKT-QUINOFQRSA-N 1 0 310.354 1.278 20 5 DDBDRO O=[N+]([O-])c1c(F)nccc1N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000881915798 707423296 /nfs/dbraw/zinc/42/32/96/707423296.db2.gz QOWYMUHWHHKDDT-CMPLNLGQSA-N 1 0 310.329 1.164 20 5 DDBDRO C[C@H](NCC(=O)NC1CC[NH+](C)CC1)c1ccccc1[N+](=O)[O-] ZINC000878374342 706372205 /nfs/dbraw/zinc/37/22/05/706372205.db2.gz SXNYJOSCXCRAJO-LBPRGKRZSA-N 1 0 320.393 1.456 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@H](c2ccccn2)C1 ZINC000878553789 706425789 /nfs/dbraw/zinc/42/57/89/706425789.db2.gz RUNVCLBSDZQOJO-ZDUSSCGKSA-N 1 0 301.350 1.984 20 5 DDBDRO O=C1CC2(CCC2)[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCN1 ZINC000880169332 706899285 /nfs/dbraw/zinc/89/92/85/706899285.db2.gz QVCSXPIJVQBBTG-CQSZACIVSA-N 1 0 319.361 1.373 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(OS(=O)(=O)CCC[NH+](C)C)c1 ZINC000867448821 707004528 /nfs/dbraw/zinc/00/45/28/707004528.db2.gz RDCAZDIMAYZJQX-UHFFFAOYSA-N 1 0 318.351 1.264 20 5 DDBDRO O=C(N[C@@H]1C[NH2+]CCC1(F)F)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000834840348 707135370 /nfs/dbraw/zinc/13/53/70/707135370.db2.gz CJPMFAILUCCFSX-SNVBAGLBSA-N 1 0 319.695 1.975 20 5 DDBDRO CN(C(=O)CN1C[C@@H]2C[NH2+]C[C@]2(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000872151509 707304449 /nfs/dbraw/zinc/30/44/49/707304449.db2.gz DRBISZFIZLPMLC-BLLLJJGKSA-N 1 0 318.377 1.099 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]3C[C@H](CO)C3)CC2)cc1 ZINC000927151690 712947545 /nfs/dbraw/zinc/94/75/45/712947545.db2.gz YZJXDWJDUUASSW-MQMHXKEQSA-N 1 0 305.378 1.924 20 5 DDBDRO CN(CC(=O)N1CC[NH2+]CCC1(C)C)c1ccccc1[N+](=O)[O-] ZINC000872296381 707369482 /nfs/dbraw/zinc/36/94/82/707369482.db2.gz YLRRZJIIOPXBIW-UHFFFAOYSA-N 1 0 320.393 1.632 20 5 DDBDRO CC(C)[N@@H+]1CCCC[C@@H]1COC(=O)c1c([N+](=O)[O-])cnn1C ZINC000837609791 707695174 /nfs/dbraw/zinc/69/51/74/707695174.db2.gz PYUCAOIOIKCZHT-LLVKDONJSA-N 1 0 310.354 1.748 20 5 DDBDRO Cc1c(C[NH2+]C[C@H]2CCCCS2(=O)=O)cccc1[N+](=O)[O-] ZINC000873105324 707733215 /nfs/dbraw/zinc/73/32/15/707733215.db2.gz ZEMNFSYUCHCUQM-CYBMUJFWSA-N 1 0 312.391 1.960 20 5 DDBDRO COCCO[C@H]1COCC[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000873109518 707734139 /nfs/dbraw/zinc/73/41/39/707734139.db2.gz VPKLWDDCLYOHNK-HOCLYGCPSA-N 1 0 324.377 1.813 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCN1CCC(O)CC1 ZINC000873129868 707742609 /nfs/dbraw/zinc/74/26/09/707742609.db2.gz SADGUMREWJWGQA-UHFFFAOYSA-N 1 0 307.394 1.758 20 5 DDBDRO CC[N@@H+]1CC[C@@H]1CNc1ccc([N+](=O)[O-])cc1C(=O)NC1CC1 ZINC000882957617 707871034 /nfs/dbraw/zinc/87/10/34/707871034.db2.gz HKAOYMRMEVMAMK-CYBMUJFWSA-N 1 0 318.377 1.993 20 5 DDBDRO O=C(OCCC[NH+]1CCCC1)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000838284875 707887541 /nfs/dbraw/zinc/88/75/41/707887541.db2.gz MEROWWGURLZJEP-AWEZNQCLSA-N 1 0 308.334 1.657 20 5 DDBDRO Cc1c(C[NH2+]CC[C@H]2CCCS2(=O)=O)cccc1[N+](=O)[O-] ZINC000883296304 707967903 /nfs/dbraw/zinc/96/79/03/707967903.db2.gz JOXDOXPSGCWSRT-CYBMUJFWSA-N 1 0 312.391 1.960 20 5 DDBDRO C[NH2+][C@@H](CC(C)C)C(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000884099135 708138302 /nfs/dbraw/zinc/13/83/02/708138302.db2.gz FMDPBCVAABUAKS-ZDUSSCGKSA-N 1 0 309.366 1.854 20 5 DDBDRO C[N@@H+]1C[C@@H]2CN(c3ccc4nonc4c3[N+](=O)[O-])C[C@]2(C)C1 ZINC000896912419 708180538 /nfs/dbraw/zinc/18/05/38/708180538.db2.gz XKDLMCQFQFUMHP-OTYXRUKQSA-N 1 0 303.322 1.519 20 5 DDBDRO C[NH2+]CCOCCN(C)C(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000884434946 708295580 /nfs/dbraw/zinc/29/55/80/708295580.db2.gz DHMUZOZOQGKDLX-UHFFFAOYSA-N 1 0 309.366 1.520 20 5 DDBDRO Cn1cc(COC(=O)CC[C@H]2CCCC[N@@H+]2C)c([N+](=O)[O-])n1 ZINC000884504574 708318266 /nfs/dbraw/zinc/31/82/66/708318266.db2.gz LYAZYUVNFSVZON-GFCCVEGCSA-N 1 0 310.354 1.636 20 5 DDBDRO COC(=O)COc1ccc(C[NH2+]C/C=C/Cl)cc1[N+](=O)[O-] ZINC000898434727 708639069 /nfs/dbraw/zinc/63/90/69/708639069.db2.gz XMVGUGONFGTXMK-GORDUTHDSA-N 1 0 314.725 1.989 20 5 DDBDRO Cc1cc(F)cc(C(=O)N(C)CC[N@H+](C)CCO)c1[N+](=O)[O-] ZINC000912607700 713047046 /nfs/dbraw/zinc/04/70/46/713047046.db2.gz JWWYPQBAADSPDP-UHFFFAOYSA-N 1 0 313.329 1.038 20 5 DDBDRO COC(=O)N1CCC[C@H]([C@@H](C)[NH2+]Cc2cccnc2[N+](=O)[O-])C1 ZINC000886142925 708704542 /nfs/dbraw/zinc/70/45/42/708704542.db2.gz OINSHCLYRQRISB-YPMHNXCESA-N 1 0 322.365 1.946 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886341153 708745705 /nfs/dbraw/zinc/74/57/05/708745705.db2.gz QPVDBLPQFOYRSP-PHIMTYICSA-N 1 0 305.334 1.884 20 5 DDBDRO C[C@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)c1c([N+](=O)[O-])cnn1C ZINC000912650104 713060591 /nfs/dbraw/zinc/06/05/91/713060591.db2.gz HYKLMPWQUNMTQT-RYUDHWBXSA-N 1 0 323.397 1.663 20 5 DDBDRO [NH3+][C@@H]1CCO[C@H](C2CCN(Cc3cccnc3[N+](=O)[O-])CC2)C1 ZINC000886839507 708858660 /nfs/dbraw/zinc/85/86/60/708858660.db2.gz GGXUSUGGHICDIE-CABCVRRESA-N 1 0 320.393 1.708 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)c1 ZINC000887934536 709170714 /nfs/dbraw/zinc/17/07/14/709170714.db2.gz LHZPMTVPCLNEPU-MEDUHNTESA-N 1 0 319.361 1.627 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000887938028 709173096 /nfs/dbraw/zinc/17/30/96/709173096.db2.gz WBAQVTVCBJTYOO-MEDUHNTESA-N 1 0 319.361 1.627 20 5 DDBDRO Cc1cc(C(=O)N2CCC23CC[NH+](C)CC3)c(N)c([N+](=O)[O-])c1 ZINC000889224451 709464336 /nfs/dbraw/zinc/46/43/36/709464336.db2.gz JYUVCAKUGYSZEM-UHFFFAOYSA-N 1 0 318.377 1.796 20 5 DDBDRO Cc1cc(C[NH+](C)C)ccc1NC(=O)c1c([N+](=O)[O-])cnn1C ZINC000909603331 709537090 /nfs/dbraw/zinc/53/70/90/709537090.db2.gz JYQMCWBBMQYCEU-UHFFFAOYSA-N 1 0 317.349 1.951 20 5 DDBDRO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912909814 713121150 /nfs/dbraw/zinc/12/11/50/713121150.db2.gz WDODGUOJGXRLKD-SECBINFHSA-N 1 0 308.313 1.236 20 5 DDBDRO CN(CC(=O)N1CC[C@@H]([NH+]2CCC2)C1)c1ccccc1[N+](=O)[O-] ZINC000912915271 713122600 /nfs/dbraw/zinc/12/26/00/713122600.db2.gz KVLNMHYHFYUNMJ-CYBMUJFWSA-N 1 0 318.377 1.338 20 5 DDBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000891722511 710275470 /nfs/dbraw/zinc/27/54/70/710275470.db2.gz DSDWBVCTKULLBZ-BETUJISGSA-N 1 0 304.350 1.283 20 5 DDBDRO COc1cc([N+](=O)[O-])cnc1N1CCC(OCC[NH+](C)C)CC1 ZINC000892486482 710445324 /nfs/dbraw/zinc/44/53/24/710445324.db2.gz WAPKXSGDJZIWHJ-UHFFFAOYSA-N 1 0 324.381 1.545 20 5 DDBDRO Cc1ccc(CNC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-] ZINC000892537716 710454329 /nfs/dbraw/zinc/45/43/29/710454329.db2.gz ZHVXCCCIWHUPJH-OKILXGFUSA-N 1 0 318.377 1.939 20 5 DDBDRO C[C@]1(NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])C[NH+]2CCC1CC2 ZINC000892766635 710494869 /nfs/dbraw/zinc/49/48/69/710494869.db2.gz MFKDTCDFTVNVFA-INIZCTEOSA-N 1 0 321.352 1.877 20 5 DDBDRO C[C@H]1[C@@H](NC(=O)CCNc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000928453866 713204123 /nfs/dbraw/zinc/20/41/23/713204123.db2.gz OWSUDWXEZYAJAP-RYUDHWBXSA-N 1 0 306.366 1.606 20 5 DDBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1C[NH2+]CC1(C)C ZINC000902446347 710756689 /nfs/dbraw/zinc/75/66/89/710756689.db2.gz OGVQTRVYHKYBEY-BXUZGUMPSA-N 1 0 320.393 1.900 20 5 DDBDRO COC(=O)[C@H]1[C@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])C1(F)F ZINC000894187948 711006825 /nfs/dbraw/zinc/00/68/25/711006825.db2.gz PLZPLDMDQAALLC-GXSJLCMTSA-N 1 0 300.261 1.739 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCO[C@]12CCOC2 ZINC000903090511 711028920 /nfs/dbraw/zinc/02/89/20/711028920.db2.gz CJDQPJMTQOCOFA-CABCVRRESA-N 1 0 308.334 1.641 20 5 DDBDRO C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CCO1 ZINC000911885819 711051438 /nfs/dbraw/zinc/05/14/38/711051438.db2.gz ZBNUMGBXECTJGZ-HPEDKQMDSA-N 1 0 319.361 1.273 20 5 DDBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C1CC(CC(N)=O)C1 ZINC000903253475 711080822 /nfs/dbraw/zinc/08/08/22/711080822.db2.gz KYPDIRSQDBFPAN-TTXORMCVSA-N 1 0 309.341 1.909 20 5 DDBDRO CC[N@H+]1[C@H](C)CN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000912021303 711126442 /nfs/dbraw/zinc/12/64/42/711126442.db2.gz KCVDNBDOXQCWKG-ZOWXZIJZSA-N 1 0 321.377 1.569 20 5 DDBDRO C[N@@H+]1CCCC[C@H]1CNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000912237607 711238059 /nfs/dbraw/zinc/23/80/59/711238059.db2.gz LYDOVHZBXBCKGQ-HNNXBMFYSA-N 1 0 320.393 1.921 20 5 DDBDRO O=[N+]([O-])c1cccc2c1CCN(C[C@@H]1C[C@]3(CC[NH2+]C3)CO1)C2 ZINC000903882376 711315304 /nfs/dbraw/zinc/31/53/04/711315304.db2.gz NCGKOILCVDQXEO-YOEHRIQHSA-N 1 0 317.389 1.722 20 5 DDBDRO O=[N+]([O-])c1ccccc1-c1nnn(CC[NH+]2CCCCC2)n1 ZINC000912457816 711336690 /nfs/dbraw/zinc/33/66/90/711336690.db2.gz CACUJTYXPLLWIK-UHFFFAOYSA-N 1 0 302.338 1.734 20 5 DDBDRO C[NH+](C)C[C@]1(O)CCN(c2nc3ccc([N+](=O)[O-])cc3s2)C1 ZINC000895009677 711365692 /nfs/dbraw/zinc/36/56/92/711365692.db2.gz ZFSFQNUGGQFEIV-CQSZACIVSA-N 1 0 322.390 1.707 20 5 DDBDRO COc1c(O)ccc(C[NH2+][C@@]23C[C@@H]2COC3(C)C)c1[N+](=O)[O-] ZINC000895570384 711545821 /nfs/dbraw/zinc/54/58/21/711545821.db2.gz IYNCLUGUPUVTRC-BMIGLBTASA-N 1 0 308.334 1.966 20 5 DDBDRO CCOC(=O)c1ccnc(N[C@H]2CC[N@H+](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000895739038 711591697 /nfs/dbraw/zinc/59/16/97/711591697.db2.gz AMOJNYWTCWUWIP-KOLCDFICSA-N 1 0 308.338 1.671 20 5 DDBDRO CCO[C@H](CNc1nc2ccccn2c1[N+](=O)[O-])C[NH+](C)C ZINC000896118125 711678710 /nfs/dbraw/zinc/67/87/10/711678710.db2.gz RKXYMGHVKLQONL-LLVKDONJSA-N 1 0 307.354 1.621 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC12CC[NH+](CC1)C2 ZINC000913626076 713271357 /nfs/dbraw/zinc/27/13/57/713271357.db2.gz ACQZMYFODQTYII-UHFFFAOYSA-N 1 0 304.350 1.239 20 5 DDBDRO O=[N+]([O-])CC[NH2+]C[C@@H](c1ccc(Cl)cc1)N1CCOCC1 ZINC000905070783 711927529 /nfs/dbraw/zinc/92/75/29/711927529.db2.gz MQIUWCYDRWRCIP-AWEZNQCLSA-N 1 0 313.785 1.580 20 5 DDBDRO C[C@@H]1C[C@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCS1 ZINC000905611916 712094837 /nfs/dbraw/zinc/09/48/37/712094837.db2.gz ZLXYNHZZSFCLCX-CKYFFXLPSA-N 1 0 300.384 1.026 20 5 DDBDRO C[C@@H](O)[C@H](O)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000929750671 713682155 /nfs/dbraw/zinc/68/21/55/713682155.db2.gz WKNZCSMRERTLMF-IAQYHMDHSA-N 1 0 310.350 1.180 20 5 DDBDRO C[C@H]1[C@H]([NH+](C)C)CCN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000931046073 713990038 /nfs/dbraw/zinc/99/00/38/713990038.db2.gz SKQUKHNFBJANNQ-WCQYABFASA-N 1 0 306.366 1.558 20 5 DDBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@@H]([NH+](C)C)[C@H]1C ZINC000931045740 713990106 /nfs/dbraw/zinc/99/01/06/713990106.db2.gz QVLOAFYQGBLVMW-YRGRVCCFSA-N 1 0 320.393 1.946 20 5 DDBDRO O=C1NC[C@@H](O)CC12CC[NH+](Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC000932838713 714423467 /nfs/dbraw/zinc/42/34/67/714423467.db2.gz CMTVUWYZNSKGBX-AWEZNQCLSA-N 1 0 319.361 1.058 20 5 DDBDRO CC(C)C[C@H]1C[N@H+](C)CCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000933252498 714547503 /nfs/dbraw/zinc/54/75/03/714547503.db2.gz WZCZONOXYVYTPU-HNNXBMFYSA-N 1 0 322.409 1.419 20 5 DDBDRO C[C@](CO)(Cc1ccc(Br)cc1)[NH2+]CC[N+](=O)[O-] ZINC000933443628 714590567 /nfs/dbraw/zinc/59/05/67/714590567.db2.gz YJTYFUPHOYMTGU-GFCCVEGCSA-N 1 0 317.183 1.609 20 5 DDBDRO NC(=O)[C@]12CCC[C@H]1C[N@H+](Cc1c(F)cccc1[N+](=O)[O-])C2 ZINC000933759775 714665811 /nfs/dbraw/zinc/66/58/11/714665811.db2.gz KTTXCDLVZNFUJY-BONVTDFDSA-N 1 0 307.325 1.821 20 5 DDBDRO [NH3+][C@@H]1[C@H]2CN(C(F)(F)c3cc([N+](=O)[O-])cnc3Cl)C[C@H]21 ZINC001164441480 718984201 /nfs/dbraw/zinc/98/42/01/718984201.db2.gz ZYDLEYKRSXNMAM-QMSLJYSESA-N 1 0 304.684 1.581 20 5 DDBDRO Cc1nc(N2CC3(C2)CC[N@H+](CC2CC2)C3)ncc1[N+](=O)[O-] ZINC001164774701 721301745 /nfs/dbraw/zinc/30/17/45/721301745.db2.gz IFHFXSOOQBEJNY-UHFFFAOYSA-N 1 0 303.366 1.615 20 5 DDBDRO O=[N+]([O-])c1cnc(Cl)nc1-n1ccnc1[C@@H]1CCC[NH2+]C1 ZINC001167054600 732352261 /nfs/dbraw/zinc/35/22/61/732352261.db2.gz CATORNCZIFHYPM-MRVPVSSYSA-N 1 0 308.729 1.691 20 5 DDBDRO [NH3+][C@H]1CN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C[C@H]1O ZINC001167089812 732554161 /nfs/dbraw/zinc/55/41/61/732554161.db2.gz OYGBZDGWXWGTFD-WCQYABFASA-N 1 0 300.318 1.165 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(N2C[C@H]3COC[C@@H](C2)C3[NH3+])nc1Cl ZINC001167186022 732812955 /nfs/dbraw/zinc/81/29/55/732812955.db2.gz SFSLGSXKZVUYKN-SLHIUPAKSA-N 1 0 312.757 1.362 20 5 DDBDRO C[N@@H+]1CC[C@H](Nc2cc([N+](=O)[O-])cc(Br)[n+]2[O-])C1 ZINC001167278781 732888643 /nfs/dbraw/zinc/88/86/43/732888643.db2.gz RUFYRBKJKYZZOC-ZETCQYMHSA-N 1 0 317.143 1.107 20 5 DDBDRO [NH3+]CC1(N(Cc2ccccc2)c2ccc([N+](=O)[O-])cn2)COC1 ZINC001167365011 733298905 /nfs/dbraw/zinc/29/89/05/733298905.db2.gz KRYVTQXVDVDASY-UHFFFAOYSA-N 1 0 314.345 1.724 20 5 DDBDRO Cn1ccc(C(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)c1 ZINC001125659548 735034924 /nfs/dbraw/zinc/03/49/24/735034924.db2.gz ZYWXAPYJBQPZLB-UHFFFAOYSA-N 1 0 308.363 1.514 20 5 DDBDRO COC(=O)[C@@H](CCC[NH3+])Nc1nccc2c1cccc2[N+](=O)[O-] ZINC001167894646 739196793 /nfs/dbraw/zinc/19/67/93/739196793.db2.gz ANJOZUHHDHXHBO-GFCCVEGCSA-N 1 0 318.333 1.835 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])c(Cl)cc1-n1cc(C[NH3+])cn1 ZINC001168260805 741853392 /nfs/dbraw/zinc/85/33/92/741853392.db2.gz ACCCWJXOBFDLFW-UHFFFAOYSA-N 1 0 310.697 1.679 20 5 DDBDRO Cc1nc(NC2(CNC(=O)CC[NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC001110325401 743772669 /nfs/dbraw/zinc/77/26/69/743772669.db2.gz NNEKWOLVZBYMNK-UHFFFAOYSA-N 1 0 321.381 1.311 20 5 DDBDRO COC(=O)c1cc(C)nc(N(C)CCCC[NH+](C)C)c1[N+](=O)[O-] ZINC001187496050 744572646 /nfs/dbraw/zinc/57/26/46/744572646.db2.gz FRXLJPPBBWWSGI-UHFFFAOYSA-N 1 0 324.381 1.863 20 5 DDBDRO Cc1nc(C)c(C[NH2+]C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)o1 ZINC000996428840 749586979 /nfs/dbraw/zinc/58/69/79/749586979.db2.gz ITFPAWGQCNIMTJ-CHWSQXEVSA-N 1 0 322.365 1.037 20 5 DDBDRO O=C(NCC1=CC[N@H+](CCCC2CCC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001000673085 762077880 /nfs/dbraw/zinc/07/78/80/762077880.db2.gz DTQSWYDQQIQUNZ-HZPDHXFCSA-N 1 0 321.421 1.980 20 5 DDBDRO CC(=O)N1CCC2(CCN(Cc3c([N+](=O)[O-])ncn3C)C2)CC1 ZINC001035143677 751225152 /nfs/dbraw/zinc/22/51/52/751225152.db2.gz PHVZMQHYVQULKA-UHFFFAOYSA-N 1 0 321.381 1.163 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2cccc(OC3COC3)c2)C1 ZINC001168974469 762163890 /nfs/dbraw/zinc/16/38/90/762163890.db2.gz QNRIMUYIGHOOJZ-KGLIPLIRSA-N 1 0 306.362 1.999 20 5 DDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2nccn2CC(F)(F)F)C1 ZINC001168991957 762165583 /nfs/dbraw/zinc/16/55/83/762165583.db2.gz INLLCBJQPJSJIR-UWVGGRQHSA-N 1 0 306.288 1.980 20 5 DDBDRO O=C1c2ccccc2[C@@H]2C[N@H+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CCN12 ZINC001169010275 762177891 /nfs/dbraw/zinc/17/78/91/762177891.db2.gz CCIKQPDPOMNBPE-WWGRRREGSA-N 1 0 315.373 1.945 20 5 DDBDRO CCOC(=O)c1cccc([N+](=O)[O-])c1-n1c(C)cnc1C[NH3+] ZINC001169029909 762186695 /nfs/dbraw/zinc/18/66/95/762186695.db2.gz YBUZZNWGYGYIHA-UHFFFAOYSA-N 1 0 304.306 1.724 20 5 DDBDRO Cc1noc([C@]23COC[C@H]2C[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C3)n1 ZINC001169019991 762199912 /nfs/dbraw/zinc/19/99/12/762199912.db2.gz HMMQDZCPHPEFHA-GUIRCDHDSA-N 1 0 322.365 1.023 20 5 DDBDRO Cc1nccnc1O[C@@H]1CC[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169051991 762206942 /nfs/dbraw/zinc/20/69/42/762206942.db2.gz DYYQVNSAPAUZHP-MELADBBJSA-N 1 0 306.366 1.684 20 5 DDBDRO COc1cnc(O[C@@H]2CC[N@@H+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)nc1 ZINC001169054634 762209688 /nfs/dbraw/zinc/20/96/88/762209688.db2.gz NBNGEQKJJFLVTF-FRRDWIJNSA-N 1 0 322.365 1.384 20 5 DDBDRO Cc1cc(-n2nncc2C[NH3+])nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001169310150 762358233 /nfs/dbraw/zinc/35/82/33/762358233.db2.gz BQPVWQYWCATUTL-UHFFFAOYSA-N 1 0 311.305 1.400 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(N[C@H]2C[C@@H](NC(=O)CC[NH+](C)C)C2)n1 ZINC001097251493 757034997 /nfs/dbraw/zinc/03/49/97/757034997.db2.gz CZGDHGJXNQQMIW-TXEJJXNPSA-N 1 0 321.381 1.309 20 5 DDBDRO Cn1cc(N2CCCc3ccc(C[NH3+])nc32)cc([N+](=O)[O-])c1=O ZINC001169592335 762526210 /nfs/dbraw/zinc/52/62/10/762526210.db2.gz NNRSDCWDOVALAD-UHFFFAOYSA-N 1 0 315.333 1.232 20 5 DDBDRO C[C@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000823680569 758340624 /nfs/dbraw/zinc/34/06/24/758340624.db2.gz PPXMTRNJABFJRN-NEPJUHHUSA-N 1 0 323.397 1.521 20 5 DDBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N2C[C@H]3C[C@@]3(C[NH+](C)C)C2)n1 ZINC001156375812 762649080 /nfs/dbraw/zinc/64/90/80/762649080.db2.gz JEROXPUHVKEBHV-NOZJJQNGSA-N 1 0 311.773 1.735 20 5 DDBDRO C[NH+](C)C[C@@]12C[C@@H]1CN(c1ncc([N+](=O)[O-])cc1[N+](=O)[O-])C2 ZINC001156377083 762676868 /nfs/dbraw/zinc/67/68/68/762676868.db2.gz ZAVUYHZSCQDQAQ-NOZJJQNGSA-N 1 0 307.310 1.286 20 5 DDBDRO CCN(c1nccc(C(=O)OC)c1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC001158205152 767867512 /nfs/dbraw/zinc/86/75/12/767867512.db2.gz MALDCGBGVQIJLF-SNVBAGLBSA-N 1 0 308.338 1.355 20 5 DDBDRO Cc1cncc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c1 ZINC001086082921 760942980 /nfs/dbraw/zinc/94/29/80/760942980.db2.gz HWJBRIFELFQUPV-FAAHXZRKSA-N 1 0 318.377 1.040 20 5 DDBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cc(F)c[nH]1 ZINC001131463160 768143810 /nfs/dbraw/zinc/14/38/10/768143810.db2.gz OLDUDIJLZFEQQQ-UHFFFAOYSA-N 1 0 306.297 1.582 20 5 DDBDRO C[C@@H](Nc1ccnc2c1cccc2[N+](=O)[O-])[C@H]1C[NH2+]CCO1 ZINC001170566449 768172624 /nfs/dbraw/zinc/17/26/24/768172624.db2.gz ANTHGHFSAJIDBD-QMTHXVAHSA-N 1 0 302.334 1.932 20 5 DDBDRO [NH3+]Cc1ccc2nnn(-c3cnc(Cl)cc3[N+](=O)[O-])c2c1 ZINC001170022348 764074482 /nfs/dbraw/zinc/07/44/82/764074482.db2.gz SWHWANULPVJATI-UHFFFAOYSA-N 1 0 304.697 1.836 20 5 DDBDRO COc1ccc(C[C@@H](C)[NH2+]CCCOCCO)c([N+](=O)[O-])c1 ZINC001170317354 766247755 /nfs/dbraw/zinc/24/77/55/766247755.db2.gz GPNFAADSROIGEZ-GFCCVEGCSA-N 1 0 312.366 1.523 20 5 DDBDRO COc1ccc(C[C@H](C)[NH2+][C@H]2CCN(C)C(=O)C2)c([N+](=O)[O-])c1 ZINC001170308706 766259516 /nfs/dbraw/zinc/25/95/16/766259516.db2.gz ODHXWWHXULKFSB-AAEUAGOBSA-N 1 0 321.377 1.745 20 5 DDBDRO COc1ccc(C[C@H](C)[N@H+]2CCC(=O)N(C)CC2)c([N+](=O)[O-])c1 ZINC001170347577 766277998 /nfs/dbraw/zinc/27/79/98/766277998.db2.gz RZWVFLNUKQKILS-LBPRGKRZSA-N 1 0 321.377 1.699 20 5 DDBDRO COc1ccc(C[C@H](C)[N@@H+]2CC[C@@H](C(N)=O)C2)c([N+](=O)[O-])c1 ZINC001170347545 766278087 /nfs/dbraw/zinc/27/80/87/766278087.db2.gz RTRXKOKQNNSVKK-CMPLNLGQSA-N 1 0 307.350 1.342 20 5 DDBDRO [NH3+]CCOCCOCCNc1cc2cccnc2c([N+](=O)[O-])c1 ZINC001170511575 767698211 /nfs/dbraw/zinc/69/82/11/767698211.db2.gz VTZCYULFXUXDGW-UHFFFAOYSA-N 1 0 320.349 1.547 20 5 DDBDRO [NH3+]CCOCCOCCNc1ccnc2c1cccc2[N+](=O)[O-] ZINC001170512630 767717900 /nfs/dbraw/zinc/71/79/00/767717900.db2.gz KBTSXDRATUXFNB-UHFFFAOYSA-N 1 0 320.349 1.547 20 5 DDBDRO O=C(Cc1cnoc1)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001132738937 769146386 /nfs/dbraw/zinc/14/63/86/769146386.db2.gz KRQWYXPUEOJSCF-UHFFFAOYSA-N 1 0 310.335 1.093 20 5 DDBDRO CSc1nc(Cl)nc(N(C)C(C)(C)C[NH3+])c1[N+](=O)[O-] ZINC001159054903 770645369 /nfs/dbraw/zinc/64/53/69/770645369.db2.gz ATUJUWJKJGICDC-UHFFFAOYSA-N 1 0 305.791 1.934 20 5 DDBDRO O=[N+]([O-])c1ccc(-c2ccccc2)nc1N[C@@H]1C[NH2+]C[C@@H]1CO ZINC001170772726 771184199 /nfs/dbraw/zinc/18/41/99/771184199.db2.gz DOBXCGBVYPBMLV-TZMCWYRMSA-N 1 0 314.345 1.649 20 5 DDBDRO C[C@H](Nc1nc(Cl)nc(Cl)c1[N+](=O)[O-])[C@@H]1C[NH2+]CCO1 ZINC001159497503 771613466 /nfs/dbraw/zinc/61/34/66/771613466.db2.gz OGVXAESJROISKU-WDSKDSINSA-N 1 0 322.152 1.480 20 5 DDBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001136756699 772123940 /nfs/dbraw/zinc/12/39/40/772123940.db2.gz PDLAMNUELDOLGJ-QMMMGPOBSA-N 1 0 315.761 1.576 20 5 DDBDRO Nc1cc([N+](=O)[O-])cnc1N[C@@H]1CC[NH2+]C[C@@H]1C(F)(F)F ZINC001160743878 772699558 /nfs/dbraw/zinc/69/95/58/772699558.db2.gz OUXDLZHHZKMOGY-IONNQARKSA-N 1 0 305.260 1.524 20 5 DDBDRO CCc1nc[nH]c1C(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001149447040 773379123 /nfs/dbraw/zinc/37/91/23/773379123.db2.gz FBZNYAXHMIDQHN-UHFFFAOYSA-N 1 0 317.349 1.400 20 5 DDBDRO CCc1nc[nH]c1C(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001149448793 773432071 /nfs/dbraw/zinc/43/20/71/773432071.db2.gz ZZNVIIBITDVWFX-UHFFFAOYSA-N 1 0 317.349 1.400 20 5 DDBDRO Cc1nc(NCCNC(=O)CCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC001094094549 775426937 /nfs/dbraw/zinc/42/69/37/775426937.db2.gz UOMURECSFVPQTR-UHFFFAOYSA-N 1 0 309.370 1.168 20 5 DDBDRO C[NH+](C)CCC(=O)NCCCNc1ccc(F)cc1[N+](=O)[O-] ZINC001094752533 776249335 /nfs/dbraw/zinc/24/93/35/776249335.db2.gz XXTIGAHNQJULGR-UHFFFAOYSA-N 1 0 312.345 1.604 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@H+]1CCO[C@@H](CO)C1)CC2 ZINC001172902811 776915687 /nfs/dbraw/zinc/91/56/87/776915687.db2.gz CRIBLMPUUYPQDC-GOEBONIOSA-N 1 0 306.362 1.535 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CC([NH+](C)C)C2)c1F ZINC001173180792 777035148 /nfs/dbraw/zinc/03/51/48/777035148.db2.gz NGEYQZRHEPNZNT-JTQLQIEISA-N 1 0 311.357 1.919 20 5 DDBDRO Cc1cc(NCCN(C)C(=O)CCC[NH+](C)C)ncc1[N+](=O)[O-] ZINC001101939350 777703659 /nfs/dbraw/zinc/70/36/59/777703659.db2.gz YYQNHIOYOAGYOY-UHFFFAOYSA-N 1 0 323.397 1.510 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1C[NH+]2CCC1CC2 ZINC001179899264 779523123 /nfs/dbraw/zinc/52/31/23/779523123.db2.gz BCDDBQNYGIKACJ-ZDUSSCGKSA-N 1 0 303.362 1.975 20 5 DDBDRO Cc1cncc([N+](=O)[O-])c1N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC001117290503 780707273 /nfs/dbraw/zinc/70/72/73/780707273.db2.gz YYKQXDFZZJGGIN-GXTWGEPZSA-N 1 0 306.366 1.334 20 5 DDBDRO CCOC(=O)[C@H]1C[NH2+]CCN1C/C=C/c1ccccc1[N+](=O)[O-] ZINC001326223371 861208282 /nfs/dbraw/zinc/20/82/82/861208282.db2.gz ZTALVYLDPORSDJ-KEDPEKRHSA-N 1 0 319.361 1.445 20 5 DDBDRO C[C@H]1C[NH2+]CCC[C@H]1CNc1ncc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001155022836 861654055 /nfs/dbraw/zinc/65/40/55/861654055.db2.gz BFZRALFFYAFYDD-UWVGGRQHSA-N 1 0 309.326 1.946 20 5 DDBDRO O=C1O[C@H](CN2CCc3ccc([N+](=O)[O-])cc3C2)CN1C1CC1 ZINC001327224320 861975732 /nfs/dbraw/zinc/97/57/32/861975732.db2.gz PSLQSKDBEBGPJD-OAHLLOKOSA-N 1 0 317.345 1.936 20 5 DDBDRO [NH3+][C@H]1COC[C@H]1Nc1ccc(-c2ccccc2[N+](=O)[O-])nn1 ZINC001155354311 861990199 /nfs/dbraw/zinc/99/01/99/861990199.db2.gz DVECIANKXSJMGA-CMPLNLGQSA-N 1 0 301.306 1.190 20 5 DDBDRO O=[N+]([O-])c1ccnc(NC[C@H]2CCC3(CC[NH2+]CC3)CO2)c1 ZINC001155377120 862009460 /nfs/dbraw/zinc/00/94/60/862009460.db2.gz AGGJQBNGYFAROB-CYBMUJFWSA-N 1 0 306.366 1.951 20 5 DDBDRO COc1nc(C)nc(N[C@H]2C[C@H]3CC[N@H+](C2)[C@@H]3C)c1[N+](=O)[O-] ZINC001170965546 850741603 /nfs/dbraw/zinc/74/16/03/850741603.db2.gz UAEYCIJAOCILRP-IEBDPFPHSA-N 1 0 307.354 1.596 20 5 DDBDRO Cc1c(C)c(N[C@@H]2CCO[C@@]3(CC[NH2+]C3)C2)ncc1[N+](=O)[O-] ZINC001155624367 862308954 /nfs/dbraw/zinc/30/89/54/862308954.db2.gz WDBCQAFRUDLZNF-DOMZBBRYSA-N 1 0 306.366 1.930 20 5 DDBDRO CCC(=O)NC1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CCOCC1 ZINC001327606732 862313704 /nfs/dbraw/zinc/31/37/04/862313704.db2.gz GZDKIAILCXTQOZ-UHFFFAOYSA-N 1 0 321.377 1.760 20 5 DDBDRO CNc1nccc(C(=O)N[C@@H]2CCCC[C@H]2[NH+](C)C)c1[N+](=O)[O-] ZINC001327618587 862322997 /nfs/dbraw/zinc/32/29/97/862322997.db2.gz FHZQQYIZPNRTBU-VXGBXAGGSA-N 1 0 321.381 1.634 20 5 DDBDRO Nc1cc(N[C@H]2CCCC[C@@]23C[NH2+]CCO3)ncc1[N+](=O)[O-] ZINC001155827027 862482962 /nfs/dbraw/zinc/48/29/62/862482962.db2.gz ZPGAMJQGGLZDHE-GXTWGEPZSA-N 1 0 307.354 1.285 20 5 DDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CC[N@H+](CC1CCCCC1)C2 ZINC001072724697 857641807 /nfs/dbraw/zinc/64/18/07/857641807.db2.gz BGYVZPGUBJBBLD-HUUCEWRRSA-N 1 0 321.421 1.766 20 5 DDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)NCC[C@H]1CSCC[NH2+]1 ZINC001122084099 858680289 /nfs/dbraw/zinc/68/02/89/858680289.db2.gz VYMBGBOYWHLSPZ-LBPRGKRZSA-N 1 0 309.391 1.349 20 5 DDBDRO CCc1ccc(C(=O)N2CCC3(C[NH2+]C3)CC2)cc1[N+](=O)[O-] ZINC001122128810 858691808 /nfs/dbraw/zinc/69/18/08/858691808.db2.gz GOUYXLJNGYPSTF-UHFFFAOYSA-N 1 0 303.362 1.983 20 5 DDBDRO [NH3+][C@H]1C[C@@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC001122491147 858848839 /nfs/dbraw/zinc/84/88/39/858848839.db2.gz IFNLCWVPUSDRPB-OCAPTIKFSA-N 1 0 303.240 1.833 20 5 DDBDRO CCc1cc(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])[nH]n1 ZINC001123856648 859442364 /nfs/dbraw/zinc/44/23/64/859442364.db2.gz DRHKNKKWJAIXHX-UHFFFAOYSA-N 1 0 317.349 1.400 20 5 DDBDRO O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1ccncc1F ZINC001125165158 859909384 /nfs/dbraw/zinc/90/93/84/859909384.db2.gz XTKPBTYLUXFDMX-UHFFFAOYSA-N 1 0 324.337 1.710 20 5 DDBDRO CC[C@@]1(C(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)CC[NH2+]C1 ZINC001326119457 861113514 /nfs/dbraw/zinc/11/35/14/861113514.db2.gz NACXKVFCLRXKKV-OAHLLOKOSA-N 1 0 307.350 1.609 20 5 DDBDRO COc1nc(NCC2CC[NH+](C(C)C)CC2)ncc1[N+](=O)[O-] ZINC001156494954 863103612 /nfs/dbraw/zinc/10/36/12/863103612.db2.gz MCTWJHAXXMBJIJ-UHFFFAOYSA-N 1 0 309.370 1.926 20 5 DDBDRO Cc1cc(N[C@H]2CC[N@@H+](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001156581764 863165711 /nfs/dbraw/zinc/16/57/11/863165711.db2.gz ZXYXTEVJDFBMOA-ZDUSSCGKSA-N 1 0 313.361 1.898 20 5 DDBDRO Cc1nc(-n2cc(CC[NH3+])c3cc(O)ccc32)ncc1[N+](=O)[O-] ZINC001157224895 863664324 /nfs/dbraw/zinc/66/43/24/863664324.db2.gz MOCHOTSVLSTZKR-UHFFFAOYSA-N 1 0 313.317 1.844 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001157259093 863688064 /nfs/dbraw/zinc/68/80/64/863688064.db2.gz CQCIZUODGUGMID-GXFFZTMASA-N 1 0 320.349 1.307 20 5 DDBDRO CN(C)/C=C/c1cc(-n2ccc3c2CC[NH2+]C3)ncc1[N+](=O)[O-] ZINC001157449256 863827862 /nfs/dbraw/zinc/82/78/62/863827862.db2.gz KKYMYDFZFZWHLA-QPJJXVBHSA-N 1 0 313.361 1.959 20 5 DDBDRO Cc1nc(C)c(C[NH2+]CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])s1 ZINC001157761402 864110618 /nfs/dbraw/zinc/11/06/18/864110618.db2.gz RAEUDMWPONKZMA-GHMZBOCLSA-N 1 0 312.395 1.021 20 5 DDBDRO C[C@@H]1CN(c2cc(/C=C/N(C)C)c([N+](=O)[O-])cn2)C[C@H](C)[NH2+]1 ZINC001158176415 864471095 /nfs/dbraw/zinc/47/10/95/864471095.db2.gz DPUACEPMXUUJOX-MTJJXUSZSA-N 1 0 305.382 1.709 20 5 DDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C1CC[NH2+]CC1 ZINC001330600524 864479470 /nfs/dbraw/zinc/47/94/70/864479470.db2.gz LKIDKGMARSUHQO-JTQLQIEISA-N 1 0 306.366 1.754 20 5 DDBDRO O=[N+]([O-])c1cnc(NCc2nccc(Cl)n2)nc1C1C[NH2+]C1 ZINC001159482561 865330005 /nfs/dbraw/zinc/33/00/05/865330005.db2.gz XEAOHGRFPYDCOD-UHFFFAOYSA-N 1 0 321.728 1.127 20 5 DDBDRO C[C@@H](Nc1ncnc2ccc([N+](=O)[O-])cc21)[C@@H]1C[NH2+]CCO1 ZINC001159496837 865348069 /nfs/dbraw/zinc/34/80/69/865348069.db2.gz LBQVXFPOQUORHW-RNCFNFMXSA-N 1 0 303.322 1.327 20 5 DDBDRO CCOC(=O)CN(CC[NH3+])c1nc(Cl)c(C)cc1[N+](=O)[O-] ZINC001159863797 865566922 /nfs/dbraw/zinc/56/69/22/865566922.db2.gz FMIOTMQQBKSQSJ-UHFFFAOYSA-N 1 0 316.745 1.280 20 5 DDBDRO CNc1c(C(=O)NCC[N@@H+]2CC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC001320379467 866692059 /nfs/dbraw/zinc/69/20/59/866692059.db2.gz UXLPKYCCRPIZKE-LLVKDONJSA-N 1 0 306.366 1.708 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1NCC1([NH+](C)C)Cc2ccccc2C1 ZINC001333708783 866953416 /nfs/dbraw/zinc/95/34/16/866953416.db2.gz ZJAQGFQHTPICCR-UHFFFAOYSA-N 1 0 315.377 1.839 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC001334668961 867755639 /nfs/dbraw/zinc/75/56/39/867755639.db2.gz LTBGHSLRDHYZIS-MEDUHNTESA-N 1 0 318.377 1.614 20 5 DDBDRO CC(C)Oc1nc(N[C@@H]2C=C[C@H]3C[NH2+]C[C@@H]32)ccc1[N+](=O)[O-] ZINC001162803937 867836752 /nfs/dbraw/zinc/83/67/52/867836752.db2.gz XVGPXXKKDRCJNS-SDDRHHMPSA-N 1 0 304.350 1.963 20 5 DDBDRO Cc1c(F)cnc(NC[C@H]2OC[C@H]3C[NH2+]CC[C@H]32)c1[N+](=O)[O-] ZINC001163163799 868175596 /nfs/dbraw/zinc/17/55/96/868175596.db2.gz MHTGHRYTVGTUJJ-CKYFFXLPSA-N 1 0 310.329 1.474 20 5 DDBDRO C[C@H]1COCC[N@@H+]1C1CCN(c2c([N+](=O)[O-])cnn2C)CC1 ZINC001335532541 868366209 /nfs/dbraw/zinc/36/62/09/868366209.db2.gz BRCXQDQUYFENLH-NSHDSACASA-N 1 0 309.370 1.018 20 5 DDBDRO Cc1nnc(C[NH3+])n1-c1cc2ncnc(Cl)c2cc1[N+](=O)[O-] ZINC001163345677 868380548 /nfs/dbraw/zinc/38/05/48/868380548.db2.gz CBVYUFPWGHOPFK-UHFFFAOYSA-N 1 0 319.712 1.539 20 5 DDBDRO CNC(=O)[C@H](CCCC[NH3+])Nc1ccc2[nH]cc([N+](=O)[O-])c2n1 ZINC001163444682 868455575 /nfs/dbraw/zinc/45/55/75/868455575.db2.gz IBPDVMUXMKHYOG-JTQLQIEISA-N 1 0 320.353 1.127 20 5 DDBDRO Cc1ccc(CNC(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)cc1[N+](=O)[O-] ZINC001335679882 868475124 /nfs/dbraw/zinc/47/51/24/868475124.db2.gz ULTFFTAJBLKOQO-YNEHKIRRSA-N 1 0 304.350 1.595 20 5 DDBDRO COC[C@@H]1C[NH2+]CCN1C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001336100820 868731207 /nfs/dbraw/zinc/73/12/07/868731207.db2.gz PWRKZWJGZMVKRD-FZMZJTMJSA-N 1 0 322.365 1.286 20 5 DDBDRO O=C(NCC[NH+]1CC=CC1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC001336244982 868814869 /nfs/dbraw/zinc/81/48/69/868814869.db2.gz URFWPLHJRUSZQA-UHFFFAOYSA-N 1 0 300.318 1.678 20 5 DDBDRO C[C@H]1CC[C@H](C[NH3+])N(c2c(Cl)[n+]([O-])ccc2[N+](=O)[O-])C1 ZINC001164071438 868924453 /nfs/dbraw/zinc/92/44/53/868924453.db2.gz STXAYSSQBBCUFP-DTWKUNHWSA-N 1 0 300.746 1.445 20 5 DDBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2C[C@@H](C)CC[C@H]2C[NH3+])n1 ZINC001164079998 868928567 /nfs/dbraw/zinc/92/85/67/868928567.db2.gz XRBQATGWJITXOY-KWQFWETISA-N 1 0 322.369 1.215 20 5 DDBDRO C[NH+]1CCC2(CCCN(c3cc(N)c([N+](=O)[O-])cn3)C2)CC1 ZINC001336622422 869054544 /nfs/dbraw/zinc/05/45/44/869054544.db2.gz KACVXYDVWLGDIS-UHFFFAOYSA-N 1 0 305.382 1.884 20 5 DDBDRO Cc1coc(C(=O)NCCC[NH2+]Cc2c([N+](=O)[O-])ncn2C)c1 ZINC001164354278 869146223 /nfs/dbraw/zinc/14/62/23/869146223.db2.gz JNQHVUHQRRIVPV-UHFFFAOYSA-N 1 0 321.337 1.139 20 5 DDBDRO CCC1CCN(c2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])CC1 ZINC001164446098 869195089 /nfs/dbraw/zinc/19/50/89/869195089.db2.gz AAUDQUHIDCDKSM-UHFFFAOYSA-N 1 0 320.397 1.421 20 5 DDBDRO CC(C)(C)[NH+]1CCN(c2ncc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC001165089008 869368192 /nfs/dbraw/zinc/36/81/92/869368192.db2.gz SYWDADYHSPWYRD-UHFFFAOYSA-N 1 0 309.326 1.819 20 5 DDBDRO C[N@@H+]1CCC[C@H](CCNc2ccc([N+](=O)[O-])c(C(N)=O)n2)C1 ZINC001165260876 869474479 /nfs/dbraw/zinc/47/44/79/869474479.db2.gz KMLSVRJIOOCEGR-SNVBAGLBSA-N 1 0 307.354 1.233 20 5 DDBDRO COC(=O)[C@H]1C[NH2+]CCN1c1ccc2c(cccc2[N+](=O)[O-])n1 ZINC001165439256 869603389 /nfs/dbraw/zinc/60/33/89/869603389.db2.gz PTPFCYWWBTZJPL-CYBMUJFWSA-N 1 0 316.317 1.094 20 5 DDBDRO C[C@H](c1nnc(N2CCC[C@@H]([NH+]3CCCC3)C2)n1C)[N+](=O)[O-] ZINC001338059379 869773298 /nfs/dbraw/zinc/77/32/98/869773298.db2.gz ZCSWWNGQAGVZIG-VXGBXAGGSA-N 1 0 308.386 1.217 20 5 DDBDRO C[C@H](CNC(=O)NC1CC[NH2+]CC1)c1ccccc1[N+](=O)[O-] ZINC001338624105 870078791 /nfs/dbraw/zinc/07/87/91/870078791.db2.gz ISPPWUZWXKCJSQ-LLVKDONJSA-N 1 0 306.366 1.750 20 5 DDBDRO [NH3+]CCCSCCC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001340105653 870895421 /nfs/dbraw/zinc/89/54/21/870895421.db2.gz DSFCWFVXUYAQMH-UHFFFAOYSA-N 1 0 309.391 1.909 20 5 DDBDRO COC(=O)c1ccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)c(C)c1 ZINC001226491126 882463280 /nfs/dbraw/zinc/46/32/80/882463280.db2.gz KMEISBYUNIOTLS-CYBMUJFWSA-N 1 0 310.370 1.144 20 5 DDBDRO CC/C=C\CC[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001205224670 871443262 /nfs/dbraw/zinc/44/32/62/871443262.db2.gz WEXJYHMMVRYBPO-LPUOJRKPSA-N 1 0 309.410 1.836 20 5 DDBDRO CC[C@H]([NH2+]C[C@H](O)C[C@]1(O)CCOC1)c1cccc([N+](=O)[O-])c1 ZINC001307634091 871445435 /nfs/dbraw/zinc/44/54/35/871445435.db2.gz YBNVOWIYDOUCGU-OWCLPIDISA-N 1 0 324.377 1.538 20 5 DDBDRO O=C(CCc1cc(F)ccc1[N+](=O)[O-])N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001341762706 871813124 /nfs/dbraw/zinc/81/31/24/871813124.db2.gz ASOVDBLIKMCEJW-TXEJJXNPSA-N 1 0 307.325 1.344 20 5 DDBDRO [NH3+]C[C@]12CC[C@@H]1CCN2C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC001342260972 872107451 /nfs/dbraw/zinc/10/74/51/872107451.db2.gz YNHJMASNQCJKBW-MLGOLLRUSA-N 1 0 319.361 1.704 20 5 DDBDRO CN(CC(=O)N1CCC[C@@]12CC[NH2+]C2)c1ccccc1[N+](=O)[O-] ZINC001342276883 872120760 /nfs/dbraw/zinc/12/07/60/872120760.db2.gz MAKUSHZYJDAPFF-INIZCTEOSA-N 1 0 318.377 1.386 20 5 DDBDRO CSc1ccc(C(=O)NC[C@@H]2C[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC001342431670 872206077 /nfs/dbraw/zinc/20/60/77/872206077.db2.gz ROJCSAMCSFQLBR-KOLCDFICSA-N 1 0 309.391 1.902 20 5 DDBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC001342757190 872370424 /nfs/dbraw/zinc/37/04/24/872370424.db2.gz JOPWPJHUEGXXFM-NXEZZACHSA-N 1 0 309.391 1.984 20 5 DDBDRO C[NH+](C)CCNC(=S)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001319058038 872417889 /nfs/dbraw/zinc/41/78/89/872417889.db2.gz MFMHXBOTPZIIDW-UHFFFAOYSA-N 1 0 308.407 1.389 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCCC[NH2+]1 ZINC001343088479 872495422 /nfs/dbraw/zinc/49/54/22/872495422.db2.gz YSMSXQRONVXJPV-GFCCVEGCSA-N 1 0 320.393 1.923 20 5 DDBDRO O=C(NCCNc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001343117562 872506381 /nfs/dbraw/zinc/50/63/81/872506381.db2.gz UONBYSZUEBLEQW-IACUBPJLSA-N 1 0 304.350 1.263 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)OCCc1c[nH]c2ccccc12 ZINC001206730424 872540560 /nfs/dbraw/zinc/54/05/60/872540560.db2.gz HFCOZRLXBHNITD-CQSZACIVSA-N 1 0 305.398 1.711 20 5 DDBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001343578889 872676070 /nfs/dbraw/zinc/67/60/70/872676070.db2.gz YZKXYOIMIYIOHN-PJXYFTJBSA-N 1 0 307.375 1.607 20 5 DDBDRO [NH3+][C@H]1CCCC[C@H]1C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC001346017128 873590395 /nfs/dbraw/zinc/59/03/95/873590395.db2.gz JYSRIXMCLVCOKG-KGLIPLIRSA-N 1 0 306.366 1.640 20 5 DDBDRO NC(=O)COC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001349585575 875245588 /nfs/dbraw/zinc/24/55/88/875245588.db2.gz MKNVPTDEALRCSZ-UHFFFAOYSA-N 1 0 307.350 1.104 20 5 DDBDRO Cc1cncc([N+](=O)[O-])c1N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC001350513850 875738143 /nfs/dbraw/zinc/73/81/43/875738143.db2.gz HGOIHHJGXWHQDY-ZDUSSCGKSA-N 1 0 308.382 1.845 20 5 DDBDRO C[C@@H](NC(=O)[C@@H]1[NH2+]CC12CCOCC2)c1cccc([N+](=O)[O-])c1 ZINC001353071016 877099633 /nfs/dbraw/zinc/09/96/33/877099633.db2.gz GANYBOUPMBUAOF-RISCZKNCSA-N 1 0 319.361 1.541 20 5 DDBDRO COc1ncc(CC[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)cn1 ZINC001353245097 877210908 /nfs/dbraw/zinc/21/09/08/877210908.db2.gz DGBQXAMAFNUVSR-AWEZNQCLSA-N 1 0 318.333 1.259 20 5 DDBDRO COc1c(C(=O)N[C@@H]2CC[C@H]3C[N@H+](C)C[C@H]32)cccc1[N+](=O)[O-] ZINC001353285481 877228766 /nfs/dbraw/zinc/22/87/66/877228766.db2.gz NQVUXIRYFZSNKY-CYZMBNFOSA-N 1 0 319.361 1.673 20 5 DDBDRO [NH3+]CC12CC(C1)CN2C(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC001354285762 877858498 /nfs/dbraw/zinc/85/84/98/877858498.db2.gz MBISPBLPLJPOHB-UHFFFAOYSA-N 1 0 307.325 1.616 20 5 DDBDRO Nc1ccc2n(C(=O)[C@@]3(N)CC[NH2+]C3)c3ccccc3cc-2c1=O ZINC001219255556 878059441 /nfs/dbraw/zinc/05/94/41/878059441.db2.gz FLSRARJMTIGKFT-GOSISDBHSA-N 1 0 322.368 1.020 20 5 DDBDRO O=C(N[C@H]1COC2(C[NH2+]C2)C1)c1cccc(Cl)c1[N+](=O)[O-] ZINC001357842764 880224582 /nfs/dbraw/zinc/22/45/82/880224582.db2.gz GRFZMKNNPFGVHE-MRVPVSSYSA-N 1 0 311.725 1.109 20 5 DDBDRO CC(C)(C(=O)N[C@H]1C[NH2+]CC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC001358406914 880422351 /nfs/dbraw/zinc/42/23/51/880422351.db2.gz KXDTXMRUZYYOBX-ZDUSSCGKSA-N 1 0 305.378 1.987 20 5 DDBDRO COC(=O)[C@@H](OC1CC[NH+](C)CC1)c1ccccc1[N+](=O)[O-] ZINC001223640321 881037216 /nfs/dbraw/zinc/03/72/16/881037216.db2.gz UMFAGTORXZEXAJ-AWEZNQCLSA-N 1 0 308.334 1.920 20 5 DDBDRO COC(=O)c1cccc(CO[C@H](C)C[N+](C)(C)C)c1[N+](=O)[O-] ZINC001223662675 881049020 /nfs/dbraw/zinc/04/90/20/881049020.db2.gz NCXPAIBLCAYAOY-LLVKDONJSA-N 1 0 311.358 1.993 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cc(O)cc2ccccc21 ZINC001228264243 883410365 /nfs/dbraw/zinc/41/03/65/883410365.db2.gz VWVDNEQGUKNKCS-CQSZACIVSA-O 1 0 304.366 1.908 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]C(CCO)CCO)CC2 ZINC001246334816 892546082 /nfs/dbraw/zinc/54/60/82/892546082.db2.gz RWBLTPXIPPYVTE-CQSZACIVSA-N 1 0 308.378 1.565 20 5 DDBDRO CCOC(=O)[C@H](N)C[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001246414725 892612469 /nfs/dbraw/zinc/61/24/69/892612469.db2.gz BFPFIVIFSOXLPC-UKRRQHHQSA-N 1 0 321.377 1.322 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3CCOC[C@@H](O)C3)CC2)cc1 ZINC001254473572 896456748 /nfs/dbraw/zinc/45/67/48/896456748.db2.gz GAKAXENKYYNZGN-INIZCTEOSA-N 1 0 321.377 1.257 20 5 DDBDRO O=c1[nH][nH]cc1CCC[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254573340 896507520 /nfs/dbraw/zinc/50/75/20/896507520.db2.gz XYVDBFLKCMEKNX-YPMHNXCESA-N 1 0 302.334 1.164 20 5 DDBDRO COC(=O)[C@@H]1CC[C@@H]([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254578085 896510538 /nfs/dbraw/zinc/51/05/38/896510538.db2.gz JAZOOGSZLODJCL-BNOWGMLFSA-N 1 0 304.346 1.993 20 5 DDBDRO NC(=O)[C@@H]([NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC001254580799 896512461 /nfs/dbraw/zinc/51/24/61/896512461.db2.gz FYRPKFLLRUXCBF-HOCLYGCPSA-N 1 0 311.341 1.878 20 5 DDBDRO COCC1([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCOCC1 ZINC001254585203 896515796 /nfs/dbraw/zinc/51/57/96/896515796.db2.gz LNGSGZKIKDQQHU-CQSZACIVSA-N 1 0 306.362 1.847 20 5 DDBDRO CSC[C@@](C)(O)C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001262567375 900250566 /nfs/dbraw/zinc/25/05/66/900250566.db2.gz QNOMJDMKQKPRPR-STQMWFEESA-N 1 0 300.380 1.332 20 5 DDBDRO C[C@](O)(C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC001262572130 900253996 /nfs/dbraw/zinc/25/39/96/900253996.db2.gz LTQRAQAPMNVSKU-QWRGUYRKSA-N 1 0 308.256 1.531 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[C@@H]3C[N@@H+](C)C[C@H]23)c1 ZINC001262826142 900387541 /nfs/dbraw/zinc/38/75/41/900387541.db2.gz CTNNKWSMTICKHI-KWCYVHTRSA-N 1 0 303.362 1.973 20 5 DDBDRO COCC[C@H]1C[NH2+]CCN1C(=O)c1cc([N+](=O)[O-])ccc1C ZINC001263254608 900547916 /nfs/dbraw/zinc/54/79/16/900547916.db2.gz KIMZSHYOSXWXJS-ZDUSSCGKSA-N 1 0 307.350 1.354 20 5 DDBDRO Cc1c(CC(=O)N[C@@H]2C[N@@H+](C)CC2(C)C)cccc1[N+](=O)[O-] ZINC001303989923 903187607 /nfs/dbraw/zinc/18/76/07/903187607.db2.gz UMNAGWXHERRSBP-CQSZACIVSA-N 1 0 305.378 1.902 20 5 DDBDRO Cc1ncccc1C[N@@H+](C)CCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001280813586 904076218 /nfs/dbraw/zinc/07/62/18/904076218.db2.gz DVPBLTGQEGDVJV-HUUCEWRRSA-N 1 0 320.393 1.336 20 5 DDBDRO CO[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000451632848 231145707 /nfs/dbraw/zinc/14/57/07/231145707.db2.gz LSJWCFCJRJKDFT-BPLDGKMQSA-N 1 0 310.350 1.492 20 5 DDBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc([S@@](C)=O)cc1 ZINC000090539600 185301684 /nfs/dbraw/zinc/30/16/84/185301684.db2.gz AJEANENIKJWAOG-XFNZEKPQSA-N 1 0 322.390 1.880 20 5 DDBDRO NC(=O)c1c[nH+]ccc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000563764988 303973459 /nfs/dbraw/zinc/97/34/59/303973459.db2.gz ZKJVOUSASIRKDX-UHFFFAOYSA-N 1 0 316.321 1.127 20 5 DDBDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3N)[C@@H]2C1 ZINC000425048873 529822535 /nfs/dbraw/zinc/82/25/35/529822535.db2.gz CYCSHRHOYUKHGO-TVQRCGJNSA-N 1 0 322.340 1.482 20 5 DDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H]1CCC[N@H+](C)C1 ZINC000301981076 529932937 /nfs/dbraw/zinc/93/29/37/529932937.db2.gz IOXWGGWJCMXXIW-LLVKDONJSA-N 1 0 306.366 1.708 20 5 DDBDRO C[NH2+]C[C@H]1CCCN1C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000415431149 530003033 /nfs/dbraw/zinc/00/30/33/530003033.db2.gz DLPDOJBOVXFARM-LLVKDONJSA-N 1 0 308.338 1.819 20 5 DDBDRO C[N@@H+]1CCC[C@H](CCNC(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000458178850 530060424 /nfs/dbraw/zinc/06/04/24/530060424.db2.gz XEUUUKAKUIFLAQ-CYBMUJFWSA-N 1 0 305.378 1.985 20 5 DDBDRO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000330790208 232071010 /nfs/dbraw/zinc/07/10/10/232071010.db2.gz AKDYWEDQSDQZFK-UHFFFAOYSA-N 1 0 322.365 1.107 20 5 DDBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCN1CCC1 ZINC000358340883 299125570 /nfs/dbraw/zinc/12/55/70/299125570.db2.gz MTHXMNRPFMLMIM-LBPRGKRZSA-N 1 0 306.366 1.607 20 5 DDBDRO CCC[NH+]1CCC(Nc2cccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000341392442 282451844 /nfs/dbraw/zinc/45/18/44/282451844.db2.gz VQIQSIDOGJWOCZ-UHFFFAOYSA-N 1 0 306.366 1.980 20 5 DDBDRO COC(=O)c1cnc(N[C@@H]2CC[N@H+](CC3CC3)C2)c([N+](=O)[O-])c1 ZINC000616369949 362664747 /nfs/dbraw/zinc/66/47/47/362664747.db2.gz DZZABXWMAGTHBS-GFCCVEGCSA-N 1 0 320.349 1.673 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000320604126 290820810 /nfs/dbraw/zinc/82/08/10/290820810.db2.gz XLBOBSTUGUNEAL-IUCAKERBSA-N 1 0 317.367 1.008 20 5 DDBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000286930904 219230335 /nfs/dbraw/zinc/23/03/35/219230335.db2.gz NJVZRMKKPZNZIK-ZFWWWQNUSA-N 1 0 320.393 1.315 20 5 DDBDRO C[NH+]1CCC(NC(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000048402521 352537817 /nfs/dbraw/zinc/53/78/17/352537817.db2.gz OSOMLXHFBHIBGA-UHFFFAOYSA-N 1 0 306.366 1.607 20 5 DDBDRO CCCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000071330324 190959131 /nfs/dbraw/zinc/95/91/31/190959131.db2.gz CCPLBYXPONFOQB-LBPRGKRZSA-N 1 0 313.379 1.357 20 5 DDBDRO C[C@H](O)C1CC[NH+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000181869127 186213136 /nfs/dbraw/zinc/21/31/36/186213136.db2.gz NQFMQVSZCXLGJF-GXTWGEPZSA-N 1 0 324.377 1.427 20 5 DDBDRO COc1cc(C(=O)N2CCC[C@H]([NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000194296698 186278643 /nfs/dbraw/zinc/27/86/43/186278643.db2.gz SJUWGVSILLSJSP-VIFPVBQESA-N 1 0 309.322 1.175 20 5 DDBDRO C[C@@H](C[NH3+])N(C)C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000237479180 186295584 /nfs/dbraw/zinc/29/55/84/186295584.db2.gz XTWCRNMWIBXXJZ-JTQLQIEISA-N 1 0 303.322 1.200 20 5 DDBDRO C[N@@H+]1CCCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000015261222 352154316 /nfs/dbraw/zinc/15/43/16/352154316.db2.gz FTGBTDKLZRSTJZ-UHFFFAOYSA-N 1 0 307.350 1.599 20 5 DDBDRO C[NH+](C)Cc1ccc(NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)cc1 ZINC000030646851 352255937 /nfs/dbraw/zinc/25/59/37/352255937.db2.gz QVLBKZHDCGDCRI-UHFFFAOYSA-N 1 0 316.317 1.597 20 5 DDBDRO O=C(Cc1ccccc1[N+](=O)[O-])N1CC[NH+](CC2CC2)CC1 ZINC000055668928 352740472 /nfs/dbraw/zinc/74/04/72/352740472.db2.gz VCXNXECHBAMCFU-UHFFFAOYSA-N 1 0 303.362 1.692 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000068341683 353104700 /nfs/dbraw/zinc/10/47/00/353104700.db2.gz ROAPLCWVJKSHEF-ZDUSSCGKSA-N 1 0 320.393 1.827 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000068575522 353121432 /nfs/dbraw/zinc/12/14/32/353121432.db2.gz LBKDMAXGXIILGW-GFCCVEGCSA-N 1 0 323.397 1.338 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C[C@@H](C)O)C(C)C ZINC000072610941 353204326 /nfs/dbraw/zinc/20/43/26/353204326.db2.gz OSVRGCPACXAOKS-GFCCVEGCSA-N 1 0 309.366 1.933 20 5 DDBDRO Cn1cc(CC[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cn1 ZINC000072665166 353207858 /nfs/dbraw/zinc/20/78/58/353207858.db2.gz FBXFJFOMKCVVEJ-ZDUSSCGKSA-N 1 0 316.365 1.452 20 5 DDBDRO NS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000074288260 353304433 /nfs/dbraw/zinc/30/44/33/353304433.db2.gz MPGLIMQJZCPZOA-LLVKDONJSA-N 1 0 313.379 1.095 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@]3(CCCOC3)C2)c1 ZINC000355776139 291003973 /nfs/dbraw/zinc/00/39/73/291003973.db2.gz BBSUGMQCQXLIPY-GJZGRUSLSA-N 1 0 324.381 1.045 20 5 DDBDRO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083170727 353706212 /nfs/dbraw/zinc/70/62/12/353706212.db2.gz FNRXNPQHMWKNTR-NXEZZACHSA-N 1 0 318.333 1.822 20 5 DDBDRO C[C@H](Nc1ncc([N+](=O)[O-])cc1C(N)=O)C(C)(C)C[NH+](C)C ZINC000085688213 353736206 /nfs/dbraw/zinc/73/62/06/353736206.db2.gz AVVIJRZNXONGMN-VIFPVBQESA-N 1 0 309.370 1.477 20 5 DDBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000092612371 353863408 /nfs/dbraw/zinc/86/34/08/353863408.db2.gz CGFSSRDJVYMUJC-ZDUSSCGKSA-N 1 0 320.393 1.988 20 5 DDBDRO [NH3+]CCCCC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000112552525 353971627 /nfs/dbraw/zinc/97/16/27/353971627.db2.gz FACVHIHERRGRDT-UHFFFAOYSA-N 1 0 306.366 1.372 20 5 DDBDRO [NH3+][C@@H]1CCC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000125010004 354043498 /nfs/dbraw/zinc/04/34/98/354043498.db2.gz PRCCCBBQGAKXNO-SFYZADRCSA-N 1 0 305.381 1.205 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC1(C(N)=O)CCOCC1 ZINC000153157305 354197557 /nfs/dbraw/zinc/19/75/57/354197557.db2.gz XCZXDHRDPBCLAD-GFCCVEGCSA-N 1 0 321.377 1.836 20 5 DDBDRO C[N@@H+]1CC[C@]2(CCN(C(=O)c3cc([O-])ccc3[N+](=O)[O-])C2)C1 ZINC000319855457 354524188 /nfs/dbraw/zinc/52/41/88/354524188.db2.gz HWGBQBQDXHYNQP-HNNXBMFYSA-N 1 0 305.334 1.468 20 5 DDBDRO CCO[C@@H]1CN(Cc2ccc(OC)c([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000405733653 354679570 /nfs/dbraw/zinc/67/95/70/354679570.db2.gz XMRLDUWKYPRPHG-IUODEOHRSA-N 1 0 309.366 1.399 20 5 DDBDRO CC[N@@H+]1CCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C[C@H]1C ZINC000588006067 354892722 /nfs/dbraw/zinc/89/27/22/354892722.db2.gz PRHHALNBVDCFBU-SNVBAGLBSA-N 1 0 317.349 1.774 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000587390491 354882590 /nfs/dbraw/zinc/88/25/90/354882590.db2.gz YPOCXEICBDKQSK-GHMZBOCLSA-N 1 0 305.334 1.345 20 5 DDBDRO O=[N+]([O-])c1cncc(Cl)c1NCCCC[NH+]1CCOCC1 ZINC000589107563 354960191 /nfs/dbraw/zinc/96/01/91/354960191.db2.gz FOWYMFCDUAILCN-UHFFFAOYSA-N 1 0 314.773 1.589 20 5 DDBDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)C2)C1 ZINC000346297772 283062459 /nfs/dbraw/zinc/06/24/59/283062459.db2.gz PJGCKEOKZKFGMJ-OAHLLOKOSA-N 1 0 307.325 1.902 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(CN2CCC([NH+](C)C)CC2)c1 ZINC000589496008 354996213 /nfs/dbraw/zinc/99/62/13/354996213.db2.gz XIRHMWUMMPSBOR-UHFFFAOYSA-N 1 0 321.377 1.907 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC000590011322 355040844 /nfs/dbraw/zinc/04/08/44/355040844.db2.gz HYVXHWXAYNKYOL-DOMZBBRYSA-N 1 0 318.377 1.478 20 5 DDBDRO Cn1c(C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)ccc1[N+](=O)[O-] ZINC000495123616 235128449 /nfs/dbraw/zinc/12/84/49/235128449.db2.gz VELDELJYKJMJJZ-NWDGAFQWSA-N 1 0 306.366 1.490 20 5 DDBDRO Cc1c(CC(=O)N2CC[C@H]([NH+](C)C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000590403161 355085710 /nfs/dbraw/zinc/08/57/10/355085710.db2.gz IKUWSOQBYLQNRC-WFASDCNBSA-N 1 0 305.378 1.997 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)COc3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000590776513 355176346 /nfs/dbraw/zinc/17/63/46/355176346.db2.gz GCLFWAPAFFINBM-RISCZKNCSA-N 1 0 305.334 1.136 20 5 DDBDRO O=[N+]([O-])c1cc2c(cc1CNC[C@H]1CCC[NH2+]C1)OCCO2 ZINC000591275595 355275252 /nfs/dbraw/zinc/27/52/52/355275252.db2.gz IFWHHDFQKKPPQK-NSHDSACASA-N 1 0 307.350 1.455 20 5 DDBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000591360638 355301102 /nfs/dbraw/zinc/30/11/02/355301102.db2.gz RAXASTSWOXDBLG-CQSZACIVSA-N 1 0 320.393 1.921 20 5 DDBDRO COc1ccc(OCCN2CC[C@@H]3CC[NH2+][C@@H]3C2)c([N+](=O)[O-])c1 ZINC000591449333 355314496 /nfs/dbraw/zinc/31/44/96/355314496.db2.gz VNQANHSUAVVROG-GXTWGEPZSA-N 1 0 321.377 1.666 20 5 DDBDRO Cc1ncc(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)s1 ZINC000591729221 355374186 /nfs/dbraw/zinc/37/41/86/355374186.db2.gz OPUSFZGUDILZTM-LBPRGKRZSA-N 1 0 323.374 1.889 20 5 DDBDRO CC1(C)C[NH2+]CCN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000591678395 355360240 /nfs/dbraw/zinc/36/02/40/355360240.db2.gz SROSSNQTCXABBU-UHFFFAOYSA-N 1 0 306.366 1.607 20 5 DDBDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000591682032 355361228 /nfs/dbraw/zinc/36/12/28/355361228.db2.gz MXXCHPXCOOSIIL-RKDXNWHRSA-N 1 0 307.306 1.133 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000592345392 355563629 /nfs/dbraw/zinc/56/36/29/355563629.db2.gz GBKIXKXKGINZDI-UHFFFAOYSA-N 1 0 305.334 1.572 20 5 DDBDRO O=C(COc1cccc([N+](=O)[O-])c1)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000592568320 355631762 /nfs/dbraw/zinc/63/17/62/355631762.db2.gz MRKOULNMGRAEQE-GFCCVEGCSA-N 1 0 319.361 1.765 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000592569069 355632550 /nfs/dbraw/zinc/63/25/50/355632550.db2.gz YEWPNPPLGBGWME-LBPRGKRZSA-N 1 0 321.381 1.281 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[NH2+]C12CCCC2 ZINC000592570507 355632794 /nfs/dbraw/zinc/63/27/94/355632794.db2.gz LVGVPDUBFGYSRI-ZDUSSCGKSA-N 1 0 304.350 1.703 20 5 DDBDRO CC[NH2+][C@H](C)CNC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000358927935 291071540 /nfs/dbraw/zinc/07/15/40/291071540.db2.gz DGLQFXRVIBEROJ-SNVBAGLBSA-N 1 0 323.349 1.023 20 5 DDBDRO CCCN(C(=O)Cn1cc([N+](=O)[O-])nc1C)[C@H]1CC[N@H+](C)C1 ZINC000592831715 355706801 /nfs/dbraw/zinc/70/68/01/355706801.db2.gz NVTPHJANTDJFSQ-LBPRGKRZSA-N 1 0 309.370 1.042 20 5 DDBDRO CC1(OCC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)C[NH2+]C1 ZINC000592965644 355757289 /nfs/dbraw/zinc/75/72/89/355757289.db2.gz ANLWCBAWNYKNLO-UHFFFAOYSA-N 1 0 319.361 1.464 20 5 DDBDRO CC(C)O[C@H]1CCC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000593055557 355781390 /nfs/dbraw/zinc/78/13/90/355781390.db2.gz LQBZPPXGOBDPGM-KBPBESRZSA-N 1 0 312.370 1.042 20 5 DDBDRO CN(C(=O)Cc1ccc(F)cc1[N+](=O)[O-])[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000593056962 355782785 /nfs/dbraw/zinc/78/27/85/355782785.db2.gz BYHRPGHXFXGLCU-CQSZACIVSA-N 1 0 321.352 1.972 20 5 DDBDRO CCc1n[nH]c(C(=O)NCCC[N@H+](C)CC(C)C)c1[N+](=O)[O-] ZINC000593757039 355988135 /nfs/dbraw/zinc/98/81/35/355988135.db2.gz PBJQGVZGNMCWPT-UHFFFAOYSA-N 1 0 311.386 1.588 20 5 DDBDRO COc1cc(C(=O)NCCC2(C[NH3+])CC2)cc([N+](=O)[O-])c1C ZINC000593913699 356057086 /nfs/dbraw/zinc/05/70/86/356057086.db2.gz CMJQYEROOCMRQQ-UHFFFAOYSA-N 1 0 307.350 1.771 20 5 DDBDRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc([N+](=O)[O-])cn1 ZINC000594195395 356136058 /nfs/dbraw/zinc/13/60/58/356136058.db2.gz GKRZYTBDVXILAL-TZMCWYRMSA-N 1 0 304.350 1.737 20 5 DDBDRO CCCc1n[nH]c(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000594404062 356198931 /nfs/dbraw/zinc/19/89/31/356198931.db2.gz QRUJXCYHFGKNFO-AOOOYVTPSA-N 1 0 309.370 1.340 20 5 DDBDRO O=C(NCCNc1ccccc1[N+](=O)[O-])[C@H]1C[C@]12CCC[NH2+]C2 ZINC000594426884 356208214 /nfs/dbraw/zinc/20/82/14/356208214.db2.gz STNOMQYJZKIDGO-WBMJQRKESA-N 1 0 318.377 1.513 20 5 DDBDRO COc1ccc(C[NH2+]C[C@H](OC)[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000594950079 356363145 /nfs/dbraw/zinc/36/31/45/356363145.db2.gz HNVJAZSGZVRAMZ-DOMZBBRYSA-N 1 0 310.350 1.745 20 5 DDBDRO CC[C@@H]([NH2+]C[C@]1(OCCO)CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000595077358 356379020 /nfs/dbraw/zinc/37/90/20/356379020.db2.gz HHTNEFFLQFGPPA-HZPDHXFCSA-N 1 0 324.377 1.804 20 5 DDBDRO Cc1c(NC(=O)C(=O)NCC[C@H](C)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000595126568 356387583 /nfs/dbraw/zinc/38/75/83/356387583.db2.gz QHEJQAOKRLRINO-JTQLQIEISA-N 1 0 322.365 1.298 20 5 DDBDRO C[NH2+]C[C@@H](C)NC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000595276283 356429293 /nfs/dbraw/zinc/42/92/93/356429293.db2.gz WWIAJPHCQMOUIL-GFCCVEGCSA-N 1 0 321.381 1.034 20 5 DDBDRO CC(C)[C@@H]1CN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000595412562 356483413 /nfs/dbraw/zinc/48/34/13/356483413.db2.gz NILBTBAJLABBMP-NSHDSACASA-N 1 0 313.379 1.213 20 5 DDBDRO C[C@@H](O)C[N@@H+]1CCN(Cc2ccc(F)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000595446564 356496552 /nfs/dbraw/zinc/49/65/52/356496552.db2.gz MDDYBXVNNXUSEW-VXGBXAGGSA-N 1 0 311.357 1.621 20 5 DDBDRO Cc1noc(CN2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000595452136 356498274 /nfs/dbraw/zinc/49/82/74/356498274.db2.gz YHRJQUCHUKEAEL-JTQLQIEISA-N 1 0 312.370 1.168 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC2(COC2)C1 ZINC000595836002 356671637 /nfs/dbraw/zinc/67/16/37/356671637.db2.gz YBQGMZUSHNLBBS-UHFFFAOYSA-N 1 0 319.361 1.954 20 5 DDBDRO CN(C)C(=O)N(C)[C@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000595825004 356665813 /nfs/dbraw/zinc/66/58/13/356665813.db2.gz BVEYSDXKDQTYKE-HNNXBMFYSA-N 1 0 320.393 1.825 20 5 DDBDRO COc1ccc(OCC[N@@H+]2CC[C@@H]3COC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000595826498 356665868 /nfs/dbraw/zinc/66/58/68/356665868.db2.gz ABFDGELDKBEDBR-CHWSQXEVSA-N 1 0 322.361 1.951 20 5 DDBDRO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CC[C@@H]4COC[C@H]4C3)nc2c1 ZINC000595827689 356667117 /nfs/dbraw/zinc/66/71/17/356667117.db2.gz DADYNDDEXCZDIT-GHMZBOCLSA-N 1 0 302.334 1.939 20 5 DDBDRO O=C(Cn1cc([N+](=O)[O-])cn1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595959182 356723921 /nfs/dbraw/zinc/72/39/21/356723921.db2.gz CBYVIQWOIHYKOW-CYBMUJFWSA-N 1 0 321.381 1.030 20 5 DDBDRO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000595962812 356726038 /nfs/dbraw/zinc/72/60/38/356726038.db2.gz UKCQCHLHELUUTK-LBPRGKRZSA-N 1 0 306.366 1.775 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595935451 356711778 /nfs/dbraw/zinc/71/17/78/356711778.db2.gz DDOIDGJILPIHJT-LBPRGKRZSA-N 1 0 321.381 1.180 20 5 DDBDRO Cc1cc(S(=O)(=O)N[C@@]2(C)CC[NH2+]C2)c(C)cc1[N+](=O)[O-] ZINC000596052772 356754720 /nfs/dbraw/zinc/75/47/20/356754720.db2.gz YDZBUZPUBFXUFV-ZDUSSCGKSA-N 1 0 313.379 1.242 20 5 DDBDRO CC(C)(C)O[C@H]1C[C@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000596070245 356760956 /nfs/dbraw/zinc/76/09/56/356760956.db2.gz PJZSTBYMTHDRIA-RAIGVLPGSA-N 1 0 312.370 1.088 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NCC[C@@H](C)[NH+](C)C ZINC000596177209 356803261 /nfs/dbraw/zinc/80/32/61/356803261.db2.gz BMQRGHDCTNTKIG-LLVKDONJSA-N 1 0 324.381 1.743 20 5 DDBDRO CCOc1cc(C[N@H+](C)C2(CO)CCOCC2)ccc1[N+](=O)[O-] ZINC000276830554 213120483 /nfs/dbraw/zinc/12/04/83/213120483.db2.gz BBHWYPTYKRUGRC-UHFFFAOYSA-N 1 0 324.377 1.967 20 5 DDBDRO [NH3+][C@]12CCC[C@@H]1CN(C(=O)CCNc1ccccc1[N+](=O)[O-])C2 ZINC000598670705 357679008 /nfs/dbraw/zinc/67/90/08/357679008.db2.gz XHLKMDCSPDPCGW-WBMJQRKESA-N 1 0 318.377 1.737 20 5 DDBDRO CN(C(=O)CN1C[C@@H]2CCC[C@]2([NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC000598684989 357686479 /nfs/dbraw/zinc/68/64/79/357686479.db2.gz ZQAZQRSDGAIEPW-LRDDRELGSA-N 1 0 318.377 1.371 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H](O)[C@H]1CCCO1 ZINC000599067275 357806587 /nfs/dbraw/zinc/80/65/87/357806587.db2.gz YRUNIZCAOYPHDX-LEWSCRJBSA-N 1 0 310.350 1.794 20 5 DDBDRO C[NH+](C)[C@@H]1[C@H]2CN(c3nc4c(cc3[N+](=O)[O-])CCCC4)C[C@H]21 ZINC000599084774 357810564 /nfs/dbraw/zinc/81/05/64/357810564.db2.gz XYZVIGVUWILVTC-JYAVWHMHSA-N 1 0 302.378 1.865 20 5 DDBDRO NC(=O)c1cc(N2CC[NH+](CCCF)CC2)ccc1[N+](=O)[O-] ZINC000599094374 357814518 /nfs/dbraw/zinc/81/45/18/357814518.db2.gz UZCJIPJKIUFKJY-UHFFFAOYSA-N 1 0 310.329 1.175 20 5 DDBDRO C[C@@H]1CN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000599105746 357817425 /nfs/dbraw/zinc/81/74/25/357817425.db2.gz PYSPOBCICSUEMO-OCAPTIKFSA-N 1 0 319.408 1.246 20 5 DDBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000599624804 357997445 /nfs/dbraw/zinc/99/74/45/357997445.db2.gz WSELLIRYEIUORU-WQVCFCJDSA-N 1 0 308.378 1.969 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N(C)CCOCC[NH3+] ZINC000599590269 357985203 /nfs/dbraw/zinc/98/52/03/357985203.db2.gz PRCSHHPRDULUTC-UHFFFAOYSA-N 1 0 312.326 1.042 20 5 DDBDRO CN(C(=O)COc1ccccc1[N+](=O)[O-])[C@@H]1C[NH+]2CCC1CC2 ZINC000347964518 283307498 /nfs/dbraw/zinc/30/74/98/283307498.db2.gz ZUKWCYMJPSLOKS-CQSZACIVSA-N 1 0 319.361 1.526 20 5 DDBDRO Cc1cc(NC(=O)NCC[N@@H+]2CC[C@@H](O)C2)ccc1[N+](=O)[O-] ZINC000599768903 358053665 /nfs/dbraw/zinc/05/36/65/358053665.db2.gz RCANJDFDSYHLSC-GFCCVEGCSA-N 1 0 308.338 1.091 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000599907065 358078260 /nfs/dbraw/zinc/07/82/60/358078260.db2.gz KFETYWIOPJWYTK-ZYHUDNBSSA-N 1 0 322.365 1.543 20 5 DDBDRO Cc1ccc([C@@H](C)NC(=O)NC[C@H]2COCC[NH2+]2)cc1[N+](=O)[O-] ZINC000599920075 358080679 /nfs/dbraw/zinc/08/06/79/358080679.db2.gz HAWOOZFZWNTQMA-YPMHNXCESA-N 1 0 322.365 1.252 20 5 DDBDRO C[NH2+]CCOCCNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000599936358 358085029 /nfs/dbraw/zinc/08/50/29/358085029.db2.gz OVRWEWJZANZADX-UHFFFAOYSA-N 1 0 324.381 1.365 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)NC[C@H]2CCCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000600312318 358191809 /nfs/dbraw/zinc/19/18/09/358191809.db2.gz DZZYAYVHDKHJBU-LLVKDONJSA-N 1 0 323.397 1.903 20 5 DDBDRO CC1CC[NH+](CCNC(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000180530507 199171441 /nfs/dbraw/zinc/17/14/41/199171441.db2.gz LQGJUGMHRSSCGH-UHFFFAOYSA-N 1 0 307.354 1.034 20 5 DDBDRO Cc1nn(C)c(C(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)c1[N+](=O)[O-] ZINC000600469398 358232100 /nfs/dbraw/zinc/23/21/00/358232100.db2.gz AOGPSJJDHMVSDC-GFCCVEGCSA-N 1 0 321.381 1.383 20 5 DDBDRO COc1ccc(C(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000237350146 202239998 /nfs/dbraw/zinc/23/99/98/202239998.db2.gz DRGHLVLRXMMYDH-ZYHUDNBSSA-N 1 0 307.350 1.945 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2C[C@H]2c2ccsc2)c1 ZINC000600754783 358309020 /nfs/dbraw/zinc/30/90/20/358309020.db2.gz IGHWXXXVELTFFE-FRRDWIJNSA-N 1 0 308.363 1.359 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCC1([NH+](C)C)CC1 ZINC000601449189 358558674 /nfs/dbraw/zinc/55/86/74/358558674.db2.gz VQRRFMQTSNAGIA-UHFFFAOYSA-N 1 0 313.379 1.276 20 5 DDBDRO CC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccncc1 ZINC000348130396 283383728 /nfs/dbraw/zinc/38/37/28/283383728.db2.gz VTIUUDRNUZFUKD-UHFFFAOYSA-N 1 0 302.334 1.674 20 5 DDBDRO C[N@@H+]1CC[C@H](CC(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)C1 ZINC000602131707 358835169 /nfs/dbraw/zinc/83/51/69/358835169.db2.gz GMJOGJJBHNBYIF-LLVKDONJSA-N 1 0 304.350 1.216 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]Cc3cc[nH]n3)CC2)cn1 ZINC000602510348 359020438 /nfs/dbraw/zinc/02/04/38/359020438.db2.gz GYTODZIFHGUBPI-UHFFFAOYSA-N 1 0 302.338 1.472 20 5 DDBDRO CC(C)C[C@H](CO)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602523721 359025503 /nfs/dbraw/zinc/02/55/03/359025503.db2.gz HMPZKXHPEHZRRE-CQSZACIVSA-N 1 0 322.409 1.955 20 5 DDBDRO COc1ccc(CC(=O)N[C@H]2CC[NH2+]C23CCC3)cc1[N+](=O)[O-] ZINC000602530058 359029155 /nfs/dbraw/zinc/02/91/55/359029155.db2.gz GNFPGNUCADPBKU-AWEZNQCLSA-N 1 0 319.361 1.547 20 5 DDBDRO COc1cc(C[C@@H](C)[NH2+]CCn2cc([N+](=O)[O-])cn2)ccn1 ZINC000602570439 359049440 /nfs/dbraw/zinc/04/94/40/359049440.db2.gz VBJUNDRLLFPENW-LLVKDONJSA-N 1 0 305.338 1.416 20 5 DDBDRO COC[C@@H](C)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602533940 359032057 /nfs/dbraw/zinc/03/20/57/359032057.db2.gz ZSGPQJNZGSKYSQ-LBPRGKRZSA-N 1 0 308.382 1.831 20 5 DDBDRO C[NH2+]CCOCCN(C)C(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000602544198 359036173 /nfs/dbraw/zinc/03/61/73/359036173.db2.gz FPVVOAVHLQLMKG-UHFFFAOYSA-N 1 0 309.366 1.140 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H](OC)[C@@H]1CCOC1 ZINC000602547145 359038826 /nfs/dbraw/zinc/03/88/26/359038826.db2.gz AIYXGUUQWJEITO-ABAIWWIYSA-N 1 0 310.350 1.745 20 5 DDBDRO CC(C)[C@@H](CCO)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602552972 359042352 /nfs/dbraw/zinc/04/23/52/359042352.db2.gz BJDZXICCBFFOCL-OAHLLOKOSA-N 1 0 322.409 1.955 20 5 DDBDRO CC[NH2+][C@@H](C)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000602476970 359003924 /nfs/dbraw/zinc/00/39/24/359003924.db2.gz YNELJUABESACAR-LBPRGKRZSA-N 1 0 306.366 1.241 20 5 DDBDRO [NH3+]CC[C@@H](NC(=O)c1c(F)cccc1[N+](=O)[O-])C(F)(F)F ZINC000602497314 359015432 /nfs/dbraw/zinc/01/54/32/359015432.db2.gz SXKFXCINYTUWSB-MRVPVSSYSA-N 1 0 309.219 1.743 20 5 DDBDRO CO[C@@H](C)[C@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602627400 359084075 /nfs/dbraw/zinc/08/40/75/359084075.db2.gz BOBBTNWLYWOMRR-RYUDHWBXSA-N 1 0 308.382 1.972 20 5 DDBDRO CC(C)[C@@H](CO)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602652779 359102855 /nfs/dbraw/zinc/10/28/55/359102855.db2.gz FZODHQHOJGJETG-CYBMUJFWSA-N 1 0 322.409 1.813 20 5 DDBDRO Cn1cc(C[N@@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)c([N+](=O)[O-])n1 ZINC000602669472 359115313 /nfs/dbraw/zinc/11/53/13/359115313.db2.gz XOAODBILAHYYAQ-OLZOCXBDSA-N 1 0 308.382 1.967 20 5 DDBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]C[C@@]1(O)CCOC1 ZINC000602581166 359054362 /nfs/dbraw/zinc/05/43/62/359054362.db2.gz FBFJMDXOZJWGIU-LBPRGKRZSA-N 1 0 320.267 1.855 20 5 DDBDRO CSc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-] ZINC000602591814 359059971 /nfs/dbraw/zinc/05/99/71/359059971.db2.gz NIXZAAZDKZIOCN-PHIMTYICSA-N 1 0 307.375 1.893 20 5 DDBDRO CCn1nc(C)c(C[N@H+](C)CCn2ccc([N+](=O)[O-])n2)c1C ZINC000602925968 359296976 /nfs/dbraw/zinc/29/69/76/359296976.db2.gz MHRDIJVKMOJFME-UHFFFAOYSA-N 1 0 306.370 1.757 20 5 DDBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000602937110 359306498 /nfs/dbraw/zinc/30/64/98/359306498.db2.gz QIGDTKNJHJIJRX-GTTSAUCSSA-N 1 0 317.345 1.640 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC2(CCCC2=O)CC1 ZINC000602895786 359278058 /nfs/dbraw/zinc/27/80/58/359278058.db2.gz DXZDQYMKBYPMMJ-UHFFFAOYSA-N 1 0 306.366 1.935 20 5 DDBDRO C[C@@](CO)([NH2+]CCO[C@@H]1CC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000602962543 359324817 /nfs/dbraw/zinc/32/48/17/359324817.db2.gz MIPVPJHBGMGWDA-OLZOCXBDSA-N 1 0 316.304 1.816 20 5 DDBDRO C[C@H]1CN(CC[NH2+][C@](C)(CO)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000602963676 359326581 /nfs/dbraw/zinc/32/65/81/359326581.db2.gz YHHHEXCGIUBFBN-XJKSGUPXSA-N 1 0 323.393 1.113 20 5 DDBDRO [NH3+]CCSCc1cn(Cc2ccc(F)cc2[N+](=O)[O-])nn1 ZINC000603224231 359496071 /nfs/dbraw/zinc/49/60/71/359496071.db2.gz OAIDRMSQPKHFED-UHFFFAOYSA-N 1 0 311.342 1.566 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1Cn1cc(C[C@@H]2CC[NH2+]C2)nn1 ZINC000603244336 359510853 /nfs/dbraw/zinc/51/08/53/359510853.db2.gz TZCIHULYLONCHI-NSHDSACASA-N 1 0 317.349 1.395 20 5 DDBDRO C[C@H](c1ccccc1[N+](=O)[O-])n1cc(C[C@H]2CC[NH2+]C2)nn1 ZINC000603218311 359489782 /nfs/dbraw/zinc/48/97/82/359489782.db2.gz KZAYDZXDAVMQGN-VXGBXAGGSA-N 1 0 301.350 1.948 20 5 DDBDRO COC(=O)c1cnc(N[C@H]2C[C@@H]([NH+](C)C)C2(C)C)c([N+](=O)[O-])c1 ZINC000603405062 359620627 /nfs/dbraw/zinc/62/06/27/359620627.db2.gz GQMXPRSVWSXKKH-NWDGAFQWSA-N 1 0 322.365 1.917 20 5 DDBDRO C[C@H](CNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC000186971468 200041581 /nfs/dbraw/zinc/04/15/81/200041581.db2.gz HNMCXPFPMCBPJP-SNVBAGLBSA-N 1 0 308.338 1.157 20 5 DDBDRO O=[N+]([O-])c1cnc2ccccc2c1NC[C@@H]1CSCC[NH2+]1 ZINC000603420647 359629356 /nfs/dbraw/zinc/62/93/56/359629356.db2.gz VOUPKQFUIBWSQW-SNVBAGLBSA-N 1 0 304.375 1.682 20 5 DDBDRO CNS(=O)(=O)CC[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000187178499 200072486 /nfs/dbraw/zinc/07/24/86/200072486.db2.gz IGCIVIDEUGCVAD-NSHDSACASA-N 1 0 315.395 1.055 20 5 DDBDRO C[C@@H]1CCC[N@H+](CCNC(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000187273270 200086821 /nfs/dbraw/zinc/08/68/21/200086821.db2.gz QOMOFGOVFPBIEH-LLVKDONJSA-N 1 0 306.366 1.639 20 5 DDBDRO Cc1cc(OCC(=O)N2CC[C@H](C[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000281047949 216042872 /nfs/dbraw/zinc/04/28/72/216042872.db2.gz AOAPNYBZAWJHRR-CYBMUJFWSA-N 1 0 321.377 1.692 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000604227446 359728524 /nfs/dbraw/zinc/72/85/24/359728524.db2.gz DCQWAJRMZYOZTO-LLVKDONJSA-N 1 0 320.349 1.052 20 5 DDBDRO C[C@H](NC(=O)COc1ccccc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000604551761 359765452 /nfs/dbraw/zinc/76/54/52/359765452.db2.gz CEGJQBNQAKXTJL-LBPRGKRZSA-N 1 0 321.377 1.820 20 5 DDBDRO CN(C)C(=O)CCC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000618566840 363676393 /nfs/dbraw/zinc/67/63/93/363676393.db2.gz HJTMZXDEGJNIRU-OLZOCXBDSA-N 1 0 323.397 1.733 20 5 DDBDRO Cc1nn(CCC(=O)NCC[C@@H]2CCC[NH2+]C2)c(C)c1[N+](=O)[O-] ZINC000237872230 202375222 /nfs/dbraw/zinc/37/52/22/202375222.db2.gz AXBDPIDSOBDUKQ-ZDUSSCGKSA-N 1 0 323.397 1.304 20 5 DDBDRO O=C(COc1ccccc1[N+](=O)[O-])NCC[C@@H]1CCC[NH2+]C1 ZINC000238006780 202415272 /nfs/dbraw/zinc/41/52/72/202415272.db2.gz IOPSXRCXCFVKJT-LBPRGKRZSA-N 1 0 307.350 1.480 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000189394622 200392680 /nfs/dbraw/zinc/39/26/80/200392680.db2.gz PHXGZZDDMLEMLS-ZIAGYGMSSA-N 1 0 307.394 1.963 20 5 DDBDRO CC[NH+](CC)[C@H]1CCN(c2ncc(C(=O)OC)cc2[N+](=O)[O-])C1 ZINC000189329872 200383393 /nfs/dbraw/zinc/38/33/93/200383393.db2.gz NMORFFIJBIGVQT-LBPRGKRZSA-N 1 0 322.365 1.697 20 5 DDBDRO C[C@@](O)(C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C1CC1 ZINC000609564548 360325660 /nfs/dbraw/zinc/32/56/60/360325660.db2.gz ZJKNKKJAHDVJMA-OAHLLOKOSA-N 1 0 308.334 1.617 20 5 DDBDRO CN1CCC([N@@H+]2CC[C@@H](Nc3cccnc3[N+](=O)[O-])C2)CC1 ZINC000609571063 360326388 /nfs/dbraw/zinc/32/63/88/360326388.db2.gz MPRYIBUDMAUPJL-GFCCVEGCSA-N 1 0 305.382 1.570 20 5 DDBDRO Cc1nn(CCC(=O)NC[C@@H](C)C[NH+](C)C)c(C)c1[N+](=O)[O-] ZINC000292412645 223061239 /nfs/dbraw/zinc/06/12/39/223061239.db2.gz PGAWSFWKYFDVFU-SNVBAGLBSA-N 1 0 311.386 1.112 20 5 DDBDRO COC1CC[NH+](CCNC(=O)c2cccc(C)c2[N+](=O)[O-])CC1 ZINC000610573004 360473736 /nfs/dbraw/zinc/47/37/36/360473736.db2.gz IGLVWROHXBIEDI-UHFFFAOYSA-N 1 0 321.377 1.744 20 5 DDBDRO O=C(Nc1cnn(-c2cc[nH+]cc2)c1)c1ccc([N+](=O)[O-])cn1 ZINC000610772013 360533862 /nfs/dbraw/zinc/53/38/62/360533862.db2.gz SHJOIXDXBVXDFN-UHFFFAOYSA-N 1 0 310.273 1.823 20 5 DDBDRO CC[N@@H+]1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000611092337 360621759 /nfs/dbraw/zinc/62/17/59/360621759.db2.gz QKKQKMQZEULANC-CYBMUJFWSA-N 1 0 320.393 1.949 20 5 DDBDRO COC[C@H]1CC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611271426 360685311 /nfs/dbraw/zinc/68/53/11/360685311.db2.gz GJZJSTUQHPOAAH-NSHDSACASA-N 1 0 308.334 1.834 20 5 DDBDRO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CC[C@]3(CCOC3)C1)OCCO2 ZINC000611275640 360686853 /nfs/dbraw/zinc/68/68/53/360686853.db2.gz PMGWRLMSVRSWEQ-INIZCTEOSA-N 1 0 320.345 1.978 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NCC[C@H](C)[NH3+])c1 ZINC000193254302 201014604 /nfs/dbraw/zinc/01/46/04/201014604.db2.gz DAWPCELTKWNCCA-QMMMGPOBSA-N 1 0 321.786 1.572 20 5 DDBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000193690641 201105613 /nfs/dbraw/zinc/10/56/13/201105613.db2.gz QWMQDBUVFDWWRX-LLVKDONJSA-N 1 0 322.365 1.403 20 5 DDBDRO COc1ccc(OCC[NH2+][C@H]2C(=O)NCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000193634090 201092094 /nfs/dbraw/zinc/09/20/94/201092094.db2.gz JHHADVMOVSGLBB-IINYFYTJSA-N 1 0 323.349 1.096 20 5 DDBDRO C[C@@H]1CCNC(=O)[C@H]1[NH2+]CCCOc1ccc([N+](=O)[O-])cc1 ZINC000193655869 201096261 /nfs/dbraw/zinc/09/62/61/201096261.db2.gz XQKKLIKVKXFZAC-RISCZKNCSA-N 1 0 307.350 1.478 20 5 DDBDRO C[NH2+][C@H]1CCCN(C(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000194732993 201278490 /nfs/dbraw/zinc/27/84/90/201278490.db2.gz LBIYGCQGZXBUPR-JTQLQIEISA-N 1 0 323.349 1.436 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC[C@@H]([NH3+])C1CC1 ZINC000194738221 201280425 /nfs/dbraw/zinc/28/04/25/201280425.db2.gz OUORFNWYEVMJCA-GFCCVEGCSA-N 1 0 313.379 1.227 20 5 DDBDRO Cc1cc([C@@H](C)[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)ccc1F ZINC000271829094 209248749 /nfs/dbraw/zinc/24/87/49/209248749.db2.gz WIYMFCIDTLFXLO-RISCZKNCSA-N 1 0 322.340 1.951 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2C[C@H]2c2cccc(F)c2)c1 ZINC000566109743 304118904 /nfs/dbraw/zinc/11/89/04/304118904.db2.gz UGFDVTAXDMHSFZ-ILXRZTDVSA-N 1 0 320.324 1.437 20 5 DDBDRO CNc1ccc(C(=O)NC[C@]2(COC)CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000566204610 304128514 /nfs/dbraw/zinc/12/85/14/304128514.db2.gz TUCXITRAXKOQHP-HNNXBMFYSA-N 1 0 322.365 1.135 20 5 DDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261783028 203116377 /nfs/dbraw/zinc/11/63/77/203116377.db2.gz LHSTYTNUCZSKRQ-OKILXGFUSA-N 1 0 303.362 1.595 20 5 DDBDRO O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCC2(CC[NH2+]C2)CC1 ZINC000261894249 203145913 /nfs/dbraw/zinc/14/59/13/203145913.db2.gz VOKWMLYJKWRRQA-UHFFFAOYSA-N 1 0 307.325 1.950 20 5 DDBDRO COc1cc(C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000262555924 203328758 /nfs/dbraw/zinc/32/87/58/203328758.db2.gz UFGUTOWYSAHHTR-VXGBXAGGSA-N 1 0 305.334 1.285 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000094340914 193361610 /nfs/dbraw/zinc/36/16/10/193361610.db2.gz UJSQUHFPOFUUQO-ZYHUDNBSSA-N 1 0 313.379 1.261 20 5 DDBDRO COc1cc(C[N@H+](C)CCn2cc([N+](=O)[O-])cn2)cc(OC)c1 ZINC000350732030 284251090 /nfs/dbraw/zinc/25/10/90/284251090.db2.gz IVCYIICJCGZMBZ-UHFFFAOYSA-N 1 0 320.349 1.941 20 5 DDBDRO CC[N@H+](C)CCNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000264897421 204248233 /nfs/dbraw/zinc/24/82/33/204248233.db2.gz KXWNIFBZDGRIHN-UHFFFAOYSA-N 1 0 306.366 1.851 20 5 DDBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000293399288 223523031 /nfs/dbraw/zinc/52/30/31/223523031.db2.gz MHVPSGUIQWWEOP-QWHCGFSZSA-N 1 0 319.361 1.574 20 5 DDBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000293521409 223579875 /nfs/dbraw/zinc/57/98/75/223579875.db2.gz UIWFATFESYZJPU-OLZOCXBDSA-N 1 0 318.377 1.607 20 5 DDBDRO O=C1CC[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C2(CCC2)N1 ZINC000282721514 217201009 /nfs/dbraw/zinc/20/10/09/217201009.db2.gz HOGQKLNRKLRFAE-CQSZACIVSA-N 1 0 303.362 1.928 20 5 DDBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)C(=O)NCCF ZINC000282750728 217225404 /nfs/dbraw/zinc/22/54/04/217225404.db2.gz NTERRHPYADZKCL-RYUDHWBXSA-N 1 0 311.357 1.980 20 5 DDBDRO C[C@@]1(CO)CCC[C@H]1[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000351523502 284361073 /nfs/dbraw/zinc/36/10/73/284361073.db2.gz LVRGDMVLICARAH-HIFRSBDPSA-N 1 0 307.350 1.334 20 5 DDBDRO COc1ccc(OCC[NH2+][C@@H](CCO)C(C)C)c([N+](=O)[O-])c1 ZINC000161730595 197515062 /nfs/dbraw/zinc/51/50/62/197515062.db2.gz OKKBEIVFVZBFJW-ZDUSSCGKSA-N 1 0 312.366 1.979 20 5 DDBDRO CC[N@@H+]1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000288496017 220179661 /nfs/dbraw/zinc/17/96/61/220179661.db2.gz QAFYQCBWQHZQEH-GFCCVEGCSA-N 1 0 307.350 1.526 20 5 DDBDRO COc1cc(C(=O)NC[C@@H](C2CC2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000101648639 193831430 /nfs/dbraw/zinc/83/14/30/193831430.db2.gz XIOSJQFKKVTBQL-ZDUSSCGKSA-N 1 0 307.350 1.673 20 5 DDBDRO CC(C)[C@H](CCO)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000274031124 211290891 /nfs/dbraw/zinc/29/08/91/211290891.db2.gz NSTHVYZPVRFQEM-LBPRGKRZSA-N 1 0 309.366 1.920 20 5 DDBDRO CO[C@H]1C[C@@H](CN(C)C(=O)c2csc([N+](=O)[O-])c2)[N@H+](C)C1 ZINC000284653449 218116142 /nfs/dbraw/zinc/11/61/42/218116142.db2.gz NIYZOBCOGCEVGU-QWRGUYRKSA-N 1 0 313.379 1.447 20 5 DDBDRO CC[C@H](C)[N@H+](C)CCNC(=O)c1cc(C)cc([N+](=O)[O-])c1N ZINC000104887604 194050053 /nfs/dbraw/zinc/05/00/53/194050053.db2.gz HLVKLSXJWZAAEQ-NSHDSACASA-N 1 0 308.382 1.946 20 5 DDBDRO C[C@H]([NH2+][C@@H](C)c1cn[nH]c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000273922550 211178213 /nfs/dbraw/zinc/17/82/13/211178213.db2.gz BOJJHKNYHUGBCP-UWVGGRQHSA-N 1 0 303.322 1.996 20 5 DDBDRO C[C@H](O)C[NH+]1CCC(CN(C)c2ncccc2[N+](=O)[O-])CC1 ZINC000105791772 194129172 /nfs/dbraw/zinc/12/91/72/194129172.db2.gz YYSBWSZVFIXVPU-LBPRGKRZSA-N 1 0 308.382 1.519 20 5 DDBDRO C[C@@H](O)C[NH+]1CCC(CN(C)c2ncccc2[N+](=O)[O-])CC1 ZINC000105791775 194129351 /nfs/dbraw/zinc/12/93/51/194129351.db2.gz YYSBWSZVFIXVPU-GFCCVEGCSA-N 1 0 308.382 1.519 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000285090719 218287277 /nfs/dbraw/zinc/28/72/77/218287277.db2.gz DMCBIJLQIVNOMV-LSDHHAIUSA-N 1 0 319.361 1.448 20 5 DDBDRO CCC[NH2+]CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000054266446 183932040 /nfs/dbraw/zinc/93/20/40/183932040.db2.gz PWYVNIXDKPKFAG-UHFFFAOYSA-N 1 0 301.368 1.181 20 5 DDBDRO COc1ccc(CNC(=O)[C@H]([NH3+])CCSC)cc1[N+](=O)[O-] ZINC000269052134 207200449 /nfs/dbraw/zinc/20/04/49/207200449.db2.gz SGVDKMICXXKXQN-SNVBAGLBSA-N 1 0 313.379 1.300 20 5 DDBDRO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000567672220 304232669 /nfs/dbraw/zinc/23/26/69/304232669.db2.gz MWIPUXSNZVMXJX-HNNXBMFYSA-N 1 0 307.325 1.950 20 5 DDBDRO C[NH+](C)CCC1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000112925046 194536633 /nfs/dbraw/zinc/53/66/33/194536633.db2.gz OZOSWNQUWKIJDH-UHFFFAOYSA-N 1 0 320.393 1.981 20 5 DDBDRO C[NH2+][C@H](C)Cc1noc(-c2cc(C(=O)OC)cc([N+](=O)[O-])c2)n1 ZINC000414638954 533003775 /nfs/dbraw/zinc/00/37/75/533003775.db2.gz DQFQNTJJLUHJEJ-MRVPVSSYSA-N 1 0 320.305 1.582 20 5 DDBDRO CC[NH+](CC)C[C@@H](C)NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000352438953 285051358 /nfs/dbraw/zinc/05/13/58/285051358.db2.gz TXMOCJUBOGVUHK-SNVBAGLBSA-N 1 0 323.349 1.784 20 5 DDBDRO CC(C)[C@H](O)CC[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000567876662 304250465 /nfs/dbraw/zinc/25/04/65/304250465.db2.gz WHUYSPZDUPXWJN-GXTWGEPZSA-N 1 0 312.366 1.331 20 5 DDBDRO O=[N+]([O-])c1c2cccnc2ccc1N1CC[NH+](CCCO)CC1 ZINC000112078150 285079723 /nfs/dbraw/zinc/07/97/23/285079723.db2.gz NTHADVKRTULILH-UHFFFAOYSA-N 1 0 316.361 1.647 20 5 DDBDRO C[NH2+][C@H]1CCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000435376295 533039748 /nfs/dbraw/zinc/03/97/48/533039748.db2.gz QLHQDGRTGLQLNH-AWEZNQCLSA-N 1 0 315.377 1.789 20 5 DDBDRO COc1cc(OCC(=O)NCC[C@H]2CCC[NH2+]2)ccc1[N+](=O)[O-] ZINC000444265960 533090798 /nfs/dbraw/zinc/09/07/98/533090798.db2.gz KANPOMXLLILPIM-LLVKDONJSA-N 1 0 323.349 1.241 20 5 DDBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@@H]1CNCCO1)C1CC1 ZINC000423578397 285161404 /nfs/dbraw/zinc/16/14/04/285161404.db2.gz UMOOUDSFUODQGW-LSDHHAIUSA-N 1 0 305.378 1.494 20 5 DDBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@H]1CNCCO1)C1CC1 ZINC000423578396 285161479 /nfs/dbraw/zinc/16/14/79/285161479.db2.gz UMOOUDSFUODQGW-HUUCEWRRSA-N 1 0 305.378 1.494 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[N@H+]2CCCC[C@@H]2[C@H]2CCC[C@H]2O)c1 ZINC000451341751 285189423 /nfs/dbraw/zinc/18/94/23/285189423.db2.gz LQYRKOANRNAYGL-RBSFLKMASA-N 1 0 308.382 1.807 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@H]2CCCC[C@H]2n2cccn2)c1 ZINC000127728042 285189947 /nfs/dbraw/zinc/18/99/47/285189947.db2.gz CCBFOHBPCBFAHI-ZIAGYGMSSA-N 1 0 304.354 1.761 20 5 DDBDRO CC[NH+](CC)C[C@H](C)NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000360022756 299582078 /nfs/dbraw/zinc/58/20/78/299582078.db2.gz INVVPSCQAHYASD-NSHDSACASA-N 1 0 315.395 1.603 20 5 DDBDRO O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000289160040 220749128 /nfs/dbraw/zinc/74/91/28/220749128.db2.gz GWSQMNMLFNBMOW-HNNXBMFYSA-N 1 0 307.325 1.950 20 5 DDBDRO COc1cc(C[N@@H+]2CCC[C@@]3(CNC(=O)C3)C2)ccc1[N+](=O)[O-] ZINC000352772214 285290190 /nfs/dbraw/zinc/29/01/90/285290190.db2.gz QEVFHXTYHQHGJV-MRXNPFEDSA-N 1 0 319.361 1.706 20 5 DDBDRO C[C@@H](CO)[N@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000289486959 221011870 /nfs/dbraw/zinc/01/18/70/221011870.db2.gz RESVVNXATQVARE-NSHDSACASA-N 1 0 304.350 1.808 20 5 DDBDRO C[C@@H]1CSC[C@@H]1[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000352814417 285318411 /nfs/dbraw/zinc/31/84/11/285318411.db2.gz GERDHOXYLIHQBJ-MFKMUULPSA-N 1 0 321.402 1.825 20 5 DDBDRO COc1cc(C(=O)NC[C@H]2CCC[NH2+]C2)cc([N+](=O)[O-])c1C ZINC000422765270 533539580 /nfs/dbraw/zinc/53/95/80/533539580.db2.gz QROLBEJUTCLCOV-NSHDSACASA-N 1 0 307.350 1.641 20 5 DDBDRO CC[NH+]1C[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])c(NC)n2)[C@H](C)C1 ZINC000568411611 304292299 /nfs/dbraw/zinc/29/22/99/304292299.db2.gz WGLXCJUVSLFVJF-GHMZBOCLSA-N 1 0 321.381 1.586 20 5 DDBDRO Cc1ccc(C)c(S(=O)(=O)N(C)[C@H](C)C[NH3+])c1[N+](=O)[O-] ZINC000193281731 292085919 /nfs/dbraw/zinc/08/59/19/292085919.db2.gz QKOWPGOZUKFGCO-SNVBAGLBSA-N 1 0 301.368 1.179 20 5 DDBDRO O=C(NC[C@H]1CCC[NH2+]C1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000569794185 304379726 /nfs/dbraw/zinc/37/97/26/304379726.db2.gz DWJJWUPZYHCTPU-LBPRGKRZSA-N 1 0 318.377 1.662 20 5 DDBDRO CSCCC[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000570509330 304412757 /nfs/dbraw/zinc/41/27/57/304412757.db2.gz YNAYTVFAHKBLOA-UHFFFAOYSA-N 1 0 318.420 1.711 20 5 DDBDRO CC(C)OC(=O)CC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000072665349 406884277 /nfs/dbraw/zinc/88/42/77/406884277.db2.gz ONFNCDJTVUTWMG-LBPRGKRZSA-N 1 0 322.365 1.818 20 5 DDBDRO CC(C)NC(=O)CC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000025916563 406900974 /nfs/dbraw/zinc/90/09/74/406900974.db2.gz YWUCBEPOKMKHTF-UHFFFAOYSA-N 1 0 320.393 1.632 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H](C[NH3+])C1 ZINC000044528897 407025391 /nfs/dbraw/zinc/02/53/91/407025391.db2.gz HTXORHORUCZCTN-LLVKDONJSA-N 1 0 313.379 1.263 20 5 DDBDRO C[C@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000050163261 407129059 /nfs/dbraw/zinc/12/90/59/407129059.db2.gz MYQVJFSRCOCQFD-WDEREUQCSA-N 1 0 313.379 1.261 20 5 DDBDRO CC[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C[C@H]1CCCO1 ZINC000051556034 407141451 /nfs/dbraw/zinc/14/14/51/407141451.db2.gz AAESGRFUUFXDJT-GOEBONIOSA-N 1 0 324.377 1.835 20 5 DDBDRO CCOc1ccc([C@H](C)[NH2+]C[C@]2(O)CCOC2)cc1[N+](=O)[O-] ZINC000090848824 407172094 /nfs/dbraw/zinc/17/20/94/407172094.db2.gz RCOFEKXDVKGTHT-XHDPSFHLSA-N 1 0 310.350 1.796 20 5 DDBDRO CCCCNC(=O)NC(=O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180429107 306694829 /nfs/dbraw/zinc/69/48/29/306694829.db2.gz LYRTXKUFWOEQME-LLVKDONJSA-N 1 0 322.365 1.871 20 5 DDBDRO C[NH+](C)CCn1ccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)n1 ZINC000102435830 407322809 /nfs/dbraw/zinc/32/28/09/407322809.db2.gz DABXHEABBOIQFQ-UHFFFAOYSA-N 1 0 318.337 1.997 20 5 DDBDRO C[NH+]1CCC(CCNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000102640377 407325179 /nfs/dbraw/zinc/32/51/79/407325179.db2.gz PGVGSQFYWYZMKH-UHFFFAOYSA-N 1 0 324.356 1.778 20 5 DDBDRO C[C@@H]1C[C@H](N(C)C(=O)COc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000123323789 407325636 /nfs/dbraw/zinc/32/56/36/407325636.db2.gz QWGILHCXAKEIEZ-CHWSQXEVSA-N 1 0 321.377 1.915 20 5 DDBDRO COCCC[N@H+](C)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000067378313 407272056 /nfs/dbraw/zinc/27/20/56/407272056.db2.gz SQEBOBXQAWEDOZ-AWEZNQCLSA-N 1 0 307.350 1.668 20 5 DDBDRO CN(CC1CC[NH+](C)CC1)C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000103453798 407340230 /nfs/dbraw/zinc/34/02/30/407340230.db2.gz NRMHHSNFDLECCR-UHFFFAOYSA-N 1 0 321.377 1.774 20 5 DDBDRO C[N@H+](CCNC(=O)c1ccc(N)c([N+](=O)[O-])c1)C1CCCC1 ZINC000103716578 407343152 /nfs/dbraw/zinc/34/31/52/407343152.db2.gz GGCIINZREOPYSJ-UHFFFAOYSA-N 1 0 306.366 1.781 20 5 DDBDRO Cc1cnc([C@@H](C)[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)s1 ZINC000124395466 407356661 /nfs/dbraw/zinc/35/66/61/407356661.db2.gz GRRUOMOMMHTQQB-KOLCDFICSA-N 1 0 311.367 1.268 20 5 DDBDRO CC[C@@H]([NH3+])CNS(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000111304210 407406878 /nfs/dbraw/zinc/40/68/78/407406878.db2.gz FHQXUTKHSJGNMY-SNVBAGLBSA-N 1 0 301.368 1.227 20 5 DDBDRO C[C@H]1C[NH2+]CCN1C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000126304988 407410084 /nfs/dbraw/zinc/41/00/84/407410084.db2.gz NYRPQMSFQKYDLE-NSHDSACASA-N 1 0 315.333 1.214 20 5 DDBDRO C[C@@H](C[S@@](C)=O)[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000126469399 407414009 /nfs/dbraw/zinc/41/40/09/407414009.db2.gz LLGLWCJQYKMWLV-YBTHPKLGSA-N 1 0 300.380 1.672 20 5 DDBDRO [NH3+]C[C@@H]1CCCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000261698504 407584172 /nfs/dbraw/zinc/58/41/72/407584172.db2.gz NXMRDFZUZHQTKL-VIFPVBQESA-N 1 0 317.342 1.093 20 5 DDBDRO COc1cc(NCCN2CC[NH+](C)CC2)c(F)cc1[N+](=O)[O-] ZINC000271102606 407517320 /nfs/dbraw/zinc/51/73/20/407517320.db2.gz PYRYVKGLXAEXDN-UHFFFAOYSA-N 1 0 312.345 1.402 20 5 DDBDRO CCOc1cc(C(=O)NCC[C@H](C)[NH3+])c([N+](=O)[O-])cc1OC ZINC000178626513 407518006 /nfs/dbraw/zinc/51/80/06/407518006.db2.gz HNEWYFCAEROTPK-VIFPVBQESA-N 1 0 311.338 1.469 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N(CC[NH+](C)C)C(C)C ZINC000151905352 407522161 /nfs/dbraw/zinc/52/21/61/407522161.db2.gz MFGLHMOCMLQULZ-UHFFFAOYSA-N 1 0 311.386 1.288 20 5 DDBDRO Cc1cccc(C(=O)NCC2([NH+](C)C)CCOCC2)c1[N+](=O)[O-] ZINC000113990283 407532836 /nfs/dbraw/zinc/53/28/36/407532836.db2.gz VBABYEZSBDKYNL-UHFFFAOYSA-N 1 0 321.377 1.744 20 5 DDBDRO C[NH2+][C@@H]1CCCN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000261739370 407598168 /nfs/dbraw/zinc/59/81/68/407598168.db2.gz KJUGFDBHYYXLRP-DGCLKSJQSA-N 1 0 306.366 1.606 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000261832665 407631159 /nfs/dbraw/zinc/63/11/59/407631159.db2.gz IFMWNWIWXQMGPY-HNNXBMFYSA-N 1 0 320.393 1.083 20 5 DDBDRO CCc1ccc(C(=O)N[C@@H]2CC[N@H+](CCOC)C2)cc1[N+](=O)[O-] ZINC000266873076 407657473 /nfs/dbraw/zinc/65/74/73/407657473.db2.gz ANLYUSRQTIDWTK-CQSZACIVSA-N 1 0 321.377 1.608 20 5 DDBDRO CC(C)(C)[C@H]([NH3+])C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000236683240 407748968 /nfs/dbraw/zinc/74/89/68/407748968.db2.gz YOYPJRQIDSYVMR-ZWNOBZJWSA-N 1 0 321.381 1.376 20 5 DDBDRO COc1cc(C(=O)N(C)CC[N@H+](C)C2CC2)ccc1[N+](=O)[O-] ZINC000186727994 407759125 /nfs/dbraw/zinc/75/91/25/407759125.db2.gz NJWRTOXASMQMKI-UHFFFAOYSA-N 1 0 307.350 1.770 20 5 DDBDRO C[NH2+]CC1CCN(C(=O)CCn2nc(C)c([N+](=O)[O-])c2C)CC1 ZINC000237324093 407811855 /nfs/dbraw/zinc/81/18/55/407811855.db2.gz OVZVEDPJOVBCHT-UHFFFAOYSA-N 1 0 323.397 1.256 20 5 DDBDRO C[NH+](C)C[C@](C)(O)CNC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000153390357 407816739 /nfs/dbraw/zinc/81/67/39/407816739.db2.gz KIZKSZLNXJEZMG-XVJNWHFHSA-N 1 0 307.350 1.037 20 5 DDBDRO COC[C@@]1(CNC(=O)c2cccc([N+](=O)[O-])c2C)CCC[NH2+]1 ZINC000262454548 407840116 /nfs/dbraw/zinc/84/01/16/407840116.db2.gz IBDPKPNZMGFVBM-HNNXBMFYSA-N 1 0 307.350 1.402 20 5 DDBDRO C[C@H]([NH2+]C[C@H](O)COC1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000180406833 407886239 /nfs/dbraw/zinc/88/62/39/407886239.db2.gz WNUGVRXXYDAIKT-WFASDCNBSA-N 1 0 324.377 1.802 20 5 DDBDRO CC[C@@H](O)C[NH+]1CCN(Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000118858158 407959079 /nfs/dbraw/zinc/95/90/79/407959079.db2.gz WOAHWTSSSZZJBG-OAHLLOKOSA-N 1 0 307.394 1.792 20 5 DDBDRO CN(CC[NH+]1CCCC1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000118888113 407961239 /nfs/dbraw/zinc/96/12/39/407961239.db2.gz GAXQUZLNPQAQGN-HNNXBMFYSA-N 1 0 323.393 1.362 20 5 DDBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000268248150 407967348 /nfs/dbraw/zinc/96/73/48/407967348.db2.gz WKVDDGCYFPWOSJ-XHDPSFHLSA-N 1 0 303.362 1.736 20 5 DDBDRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000153962843 407942293 /nfs/dbraw/zinc/94/22/93/407942293.db2.gz TZMOLVKYLBOCPY-OAHLLOKOSA-N 1 0 305.378 1.936 20 5 DDBDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000245639002 408032602 /nfs/dbraw/zinc/03/26/02/408032602.db2.gz ARJHYFJUWAIJNK-MXWKQRLJSA-N 1 0 309.370 1.414 20 5 DDBDRO CCCc1n[nH]c(C(=O)N(C)CC2([NH+](C)C)CCC2)c1[N+](=O)[O-] ZINC000189523763 408041005 /nfs/dbraw/zinc/04/10/05/408041005.db2.gz VPMYDOKITGTKFJ-UHFFFAOYSA-N 1 0 323.397 1.827 20 5 DDBDRO CC(C)[NH+]1CCC(O)(CNC(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000268470349 408058158 /nfs/dbraw/zinc/05/81/58/408058158.db2.gz MNMLGIHCEOLDLK-UHFFFAOYSA-N 1 0 311.338 1.153 20 5 DDBDRO COC[C@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)C1CC1 ZINC000136626583 408113517 /nfs/dbraw/zinc/11/35/17/408113517.db2.gz LKGJSELISYXYMO-CABCVRRESA-N 1 0 319.361 1.715 20 5 DDBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1OC[C@H]1C[NH2+]CCO1 ZINC000149378790 408192028 /nfs/dbraw/zinc/19/20/28/408192028.db2.gz YGKKSJWKICENHQ-SECBINFHSA-N 1 0 306.240 1.981 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000151126250 408262692 /nfs/dbraw/zinc/26/26/92/408262692.db2.gz LFIJQUXASUMZDR-CYBMUJFWSA-N 1 0 320.393 1.827 20 5 DDBDRO COC(=O)C1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000125521838 161876951 /nfs/dbraw/zinc/87/69/51/161876951.db2.gz UBAFSFWQLCXWMM-UHFFFAOYSA-N 1 0 308.334 1.859 20 5 DDBDRO CCN1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1=O ZINC000273518501 408230722 /nfs/dbraw/zinc/23/07/22/408230722.db2.gz POWSACLJNFQTME-UHFFFAOYSA-N 1 0 320.349 1.088 20 5 DDBDRO CC(C)C(=O)NC[C@@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176225434 408316128 /nfs/dbraw/zinc/31/61/28/408316128.db2.gz XWQBMPHZOWHVEN-ZDUSSCGKSA-N 1 0 323.397 1.276 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000269459838 408316669 /nfs/dbraw/zinc/31/66/69/408316669.db2.gz HMGNVBZGGJFJQY-NXEZZACHSA-N 1 0 321.381 1.796 20 5 DDBDRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000246545897 408289693 /nfs/dbraw/zinc/28/96/93/408289693.db2.gz QMPVBLWYBQFYSK-JQWIXIFHSA-N 1 0 304.350 1.486 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000269412474 408299013 /nfs/dbraw/zinc/29/90/13/408299013.db2.gz VSBDKUSWYQDCLU-LLVKDONJSA-N 1 0 323.397 1.903 20 5 DDBDRO CN(CC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)c1ccccc1[N+](=O)[O-] ZINC000160432016 162148132 /nfs/dbraw/zinc/14/81/32/162148132.db2.gz IMJPTELGLLNFCH-BETUJISGSA-N 1 0 318.377 1.384 20 5 DDBDRO CC(C)C[C@H]([NH3+])C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000169185983 162183775 /nfs/dbraw/zinc/18/37/75/162183775.db2.gz BPRANURBPAWRMW-AAEUAGOBSA-N 1 0 321.381 1.376 20 5 DDBDRO CN(C)C(=O)[C@@H]1CCCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269621935 408363908 /nfs/dbraw/zinc/36/39/08/408363908.db2.gz BJCXZGMPKCVCEE-KBPBESRZSA-N 1 0 307.350 1.181 20 5 DDBDRO CC[C@H](C)[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000264107100 408368397 /nfs/dbraw/zinc/36/83/97/408368397.db2.gz IOQNRHZNSKEPJL-NSHDSACASA-N 1 0 315.395 1.603 20 5 DDBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000183476086 408422832 /nfs/dbraw/zinc/42/28/32/408422832.db2.gz MWQPJPQIDCAZLQ-ONOODXEBSA-N 1 0 321.377 1.427 20 5 DDBDRO CCc1n[nH]c(C(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)c1[N+](=O)[O-] ZINC000176943927 408482495 /nfs/dbraw/zinc/48/24/95/408482495.db2.gz OYOLABUSISJQGD-NSHDSACASA-N 1 0 323.397 1.588 20 5 DDBDRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000264462666 408498886 /nfs/dbraw/zinc/49/88/86/408498886.db2.gz SANVLBLWLZTGPL-NSHDSACASA-N 1 0 324.356 1.100 20 5 DDBDRO O=[N+]([O-])c1ccn(CCN2CCC[C@@H]2C[NH+]2CCCCC2)n1 ZINC000176228153 162521045 /nfs/dbraw/zinc/52/10/45/162521045.db2.gz OBZYFPNDNGRSTQ-CQSZACIVSA-N 1 0 307.398 1.742 20 5 DDBDRO CC[C@](C)([NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C)C(N)=O ZINC000177128064 408528271 /nfs/dbraw/zinc/52/82/71/408528271.db2.gz HAHUELBGZMXOOU-HNNXBMFYSA-N 1 0 322.365 1.475 20 5 DDBDRO CO[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000248459347 408572283 /nfs/dbraw/zinc/57/22/83/408572283.db2.gz NNXLKUZEMWOHGU-CHWSQXEVSA-N 1 0 310.350 1.445 20 5 DDBDRO C[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C[C@H]1CCCOC1 ZINC000248462286 408574743 /nfs/dbraw/zinc/57/47/43/408574743.db2.gz PTSJNEOHNTWFTD-ZIAGYGMSSA-N 1 0 324.377 1.693 20 5 DDBDRO C[N@H+](CCCO)C1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000265228344 408583649 /nfs/dbraw/zinc/58/36/49/408583649.db2.gz QDTSMRWHICWHRK-UHFFFAOYSA-N 1 0 307.394 1.873 20 5 DDBDRO C[N@H+]1C[C@H]2CN(C(=O)CCNc3ccccc3[N+](=O)[O-])C[C@H]2C1 ZINC000192476902 408595797 /nfs/dbraw/zinc/59/57/97/408595797.db2.gz ZOJUXMBVQQVKHQ-BETUJISGSA-N 1 0 318.377 1.417 20 5 DDBDRO CS[C@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)C[C@H]1[NH+](C)C ZINC000270472330 408542946 /nfs/dbraw/zinc/54/29/46/408542946.db2.gz MASCERNFDFQXOA-KGLIPLIRSA-N 1 0 323.418 1.641 20 5 DDBDRO COc1cccc(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)c1[N+](=O)[O-] ZINC000248837352 408644640 /nfs/dbraw/zinc/64/46/40/408644640.db2.gz OQQUABFCAZSULY-RYUDHWBXSA-N 1 0 319.361 1.912 20 5 DDBDRO C[C@@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000162632635 408722403 /nfs/dbraw/zinc/72/24/03/408722403.db2.gz ABDTVZOOSJDCNS-BZPMIXESSA-N 1 0 310.350 1.349 20 5 DDBDRO O=C(c1n[nH]cc1[N+](=O)[O-])N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000162670374 408726364 /nfs/dbraw/zinc/72/63/64/408726364.db2.gz WGGAEJYSPPVETO-PWSUYJOCSA-N 1 0 319.365 1.407 20 5 DDBDRO Cc1nn(CCC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)c(C)c1[N+](=O)[O-] ZINC000162322264 408687731 /nfs/dbraw/zinc/68/77/31/408687731.db2.gz UORFVLFZLXKYMI-VXGBXAGGSA-N 1 0 309.370 1.184 20 5 DDBDRO CC[C@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@@H]1O ZINC000270839075 408701647 /nfs/dbraw/zinc/70/16/47/408701647.db2.gz DUBCZFTUOQZMBS-WFASDCNBSA-N 1 0 321.377 1.935 20 5 DDBDRO C[C@@H]1C[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC[C@@H]1O ZINC000249599045 408749311 /nfs/dbraw/zinc/74/93/11/408749311.db2.gz XQKFUJGWWZLFAB-KYOSRNDESA-N 1 0 310.350 1.037 20 5 DDBDRO CC[C@@H]([NH2+]CC(=O)N1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000178069960 408768873 /nfs/dbraw/zinc/76/88/73/408768873.db2.gz JIEYTQFRNGMIJP-OAHLLOKOSA-N 1 0 320.393 1.410 20 5 DDBDRO C[C@H]1CN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CCC1=O ZINC000276528130 408876218 /nfs/dbraw/zinc/87/62/18/408876218.db2.gz HGKZHIPOOFGODP-RYUDHWBXSA-N 1 0 308.334 1.245 20 5 DDBDRO C[C@@H](C[NH+](C)C)Nc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000168937554 408819177 /nfs/dbraw/zinc/81/91/77/408819177.db2.gz FZMUYEGMFLTZRA-VIFPVBQESA-N 1 0 301.368 1.360 20 5 DDBDRO CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000187875063 163030667 /nfs/dbraw/zinc/03/06/67/163030667.db2.gz JKUCJKPGCNCGBB-WCFLWFBJSA-N 1 0 307.350 1.457 20 5 DDBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N1CC[NH+]2CCC1CC2 ZINC000188618533 163060107 /nfs/dbraw/zinc/06/01/07/163060107.db2.gz MRUDSUFNMUIRBN-UHFFFAOYSA-N 1 0 303.362 1.834 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)CN2CCC(F)(F)[C@H](CO)C2)c1 ZINC000291749667 408916970 /nfs/dbraw/zinc/91/69/70/408916970.db2.gz KLEZNGPASRVKMM-AAEUAGOBSA-N 1 0 316.304 1.578 20 5 DDBDRO COC(=O)c1cnc(N(C)CC2([NH+](C)C)CCC2)c([N+](=O)[O-])c1 ZINC000189416158 163099935 /nfs/dbraw/zinc/09/99/35/163099935.db2.gz DVWWCWUTJIANDK-UHFFFAOYSA-N 1 0 322.365 1.697 20 5 DDBDRO COc1ccc(OCC[NH2+][C@@H]2CCOC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000277445360 408942791 /nfs/dbraw/zinc/94/27/91/408942791.db2.gz LPNBPAWEOCEAQW-WCQYABFASA-N 1 0 310.350 1.997 20 5 DDBDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)c3ccc(F)cc3[N+](=O)[O-])C2)C1 ZINC000292058286 408971663 /nfs/dbraw/zinc/97/16/63/408971663.db2.gz APDXXZVHVVEUPZ-OAHLLOKOSA-N 1 0 307.325 1.902 20 5 DDBDRO C[NH+](C)C[C@H]1CCN(c2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000286421290 408981760 /nfs/dbraw/zinc/98/17/60/408981760.db2.gz BFQTZHSLFDOEKN-SECBINFHSA-N 1 0 307.379 1.987 20 5 DDBDRO CC[N@@H+]1CCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000286428200 408982937 /nfs/dbraw/zinc/98/29/37/408982937.db2.gz IRGUNVOBFGSNHB-ZDUSSCGKSA-N 1 0 320.393 1.584 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)CCC(N)=O ZINC000286434915 408984374 /nfs/dbraw/zinc/98/43/74/408984374.db2.gz LHWXRVXXKUXLGX-UHFFFAOYSA-N 1 0 308.338 1.039 20 5 DDBDRO CC(C)([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1F ZINC000292153635 408990489 /nfs/dbraw/zinc/99/04/89/408990489.db2.gz NTPKIWSXRZVNFS-LBPRGKRZSA-N 1 0 322.340 1.816 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000277693891 408992917 /nfs/dbraw/zinc/99/29/17/408992917.db2.gz ZWTCOLWLEMLUKP-LLVKDONJSA-N 1 0 319.361 1.818 20 5 DDBDRO NC(=O)c1cc([N+](=O)[O-])cnc1NCC1CC[NH+](C2CC2)CC1 ZINC000277707330 408996788 /nfs/dbraw/zinc/99/67/88/408996788.db2.gz IDZHCSZIPFAVPV-UHFFFAOYSA-N 1 0 319.365 1.375 20 5 DDBDRO C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000293021102 409048894 /nfs/dbraw/zinc/04/88/94/409048894.db2.gz AJDRSOBPJVVJSL-RNCFNFMXSA-N 1 0 322.321 1.702 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000293535890 409132360 /nfs/dbraw/zinc/13/23/60/409132360.db2.gz VKSBIUVJVATSFG-BXUZGUMPSA-N 1 0 318.377 1.485 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC[C@H]([NH+](C)C)C1 ZINC000287658466 409072118 /nfs/dbraw/zinc/07/21/18/409072118.db2.gz CJASBMFEJCGPFG-NSHDSACASA-N 1 0 307.350 1.830 20 5 DDBDRO C[C@@H]1CN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H](C)[N@H+]1C ZINC000293331378 409091297 /nfs/dbraw/zinc/09/12/97/409091297.db2.gz GNSGIIAPTLFDFG-GUTXKFCHSA-N 1 0 323.393 1.359 20 5 DDBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000293494399 409125306 /nfs/dbraw/zinc/12/53/06/409125306.db2.gz SDMLRPKZAHDUPQ-HIFRSBDPSA-N 1 0 303.362 1.738 20 5 DDBDRO C[C@H]1C[NH2+]CCN1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000261889443 163722518 /nfs/dbraw/zinc/72/25/18/163722518.db2.gz SOKLWNWEJVZWNQ-VIFPVBQESA-N 1 0 312.757 1.480 20 5 DDBDRO Cc1ccc2nc(C[NH2+]CCn3cc([N+](=O)[O-])cn3)cn2c1 ZINC000284133629 409282133 /nfs/dbraw/zinc/28/21/33/409282133.db2.gz YFKLUCMDXRPMBU-UHFFFAOYSA-N 1 0 300.322 1.537 20 5 DDBDRO CC[C@H](CNS(C)(=O)=O)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000295044704 409308669 /nfs/dbraw/zinc/30/86/69/409308669.db2.gz MXQDNDAJEMGLQG-LLVKDONJSA-N 1 0 301.368 1.012 20 5 DDBDRO CN(C)CC[N@H+](C)CCCNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000290185282 409315447 /nfs/dbraw/zinc/31/54/47/409315447.db2.gz RHLRGAHFVFGAOM-UHFFFAOYSA-N 1 0 322.409 1.137 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)CCC[NH3+] ZINC000313827585 164011368 /nfs/dbraw/zinc/01/13/68/164011368.db2.gz MQZFCJJCMJMLPG-SECBINFHSA-N 1 0 317.367 1.009 20 5 DDBDRO CCC[N@@H+]1CC[C@@H](CNc2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000290624886 409466652 /nfs/dbraw/zinc/46/66/52/409466652.db2.gz LVNWSEMRXUOHKJ-JTQLQIEISA-N 1 0 307.354 1.233 20 5 DDBDRO C[NH+]1CCN(CCNc2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000296240637 409475138 /nfs/dbraw/zinc/47/51/38/409475138.db2.gz FFRINMICMXKBCD-UHFFFAOYSA-N 1 0 315.377 1.802 20 5 DDBDRO CN(C)C(=O)NCC[N@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000348928387 409595502 /nfs/dbraw/zinc/59/55/02/409595502.db2.gz PZTJFUSTZUQMMZ-UHFFFAOYSA-N 1 0 324.381 1.567 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[N@@H+](C)CC[C@H]1C ZINC000354006986 409595746 /nfs/dbraw/zinc/59/57/46/409595746.db2.gz OFVGNGXVFMHWQK-LLVKDONJSA-N 1 0 309.370 1.042 20 5 DDBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000331533974 409611210 /nfs/dbraw/zinc/61/12/10/409611210.db2.gz POWVGFFLXBATOO-NOZJJQNGSA-N 1 0 307.325 1.946 20 5 DDBDRO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000356853678 409664608 /nfs/dbraw/zinc/66/46/08/409664608.db2.gz OCQLLPAPJFTRSG-RYUDHWBXSA-N 1 0 307.350 1.525 20 5 DDBDRO CCOC(=O)CN(CCn1cc([N+](=O)[O-])ccc1=O)C1CCC1 ZINC000342680718 409806667 /nfs/dbraw/zinc/80/66/67/409806667.db2.gz UZRCCZSWOZBCBJ-UHFFFAOYSA-N 1 0 323.349 1.174 20 5 DDBDRO [NH3+]C[C@@H]1CN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CCCO1 ZINC000313378934 409807848 /nfs/dbraw/zinc/80/78/48/409807848.db2.gz NZFJPVYTRJTOIW-KTRBRXNASA-N 1 0 305.334 1.184 20 5 DDBDRO CC(C)[N@H+](C)C[C@@H](O)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000324105240 409921889 /nfs/dbraw/zinc/92/18/89/409921889.db2.gz JUGGCXKZCCFSMY-CQSZACIVSA-N 1 0 319.365 1.554 20 5 DDBDRO O=C(NC1CC[NH+](C2CCCCC2)CC1)c1cc([N+](=O)[O-])n[nH]1 ZINC000332152548 409928901 /nfs/dbraw/zinc/92/89/01/409928901.db2.gz QLTPQCMGVDHECT-UHFFFAOYSA-N 1 0 321.381 1.845 20 5 DDBDRO C[C@@H]1C[C@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000357425033 410033535 /nfs/dbraw/zinc/03/35/35/410033535.db2.gz RNABGSZGIMXGOO-CHWSQXEVSA-N 1 0 321.377 1.963 20 5 DDBDRO COC(=O)c1cnc(N[C@H]2CCC[N@H+](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000357682298 410185382 /nfs/dbraw/zinc/18/53/82/410185382.db2.gz KERITXAMEGWMQK-ONGXEEELSA-N 1 0 308.338 1.671 20 5 DDBDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000351753341 410210066 /nfs/dbraw/zinc/21/00/66/410210066.db2.gz FDSJLQOFXHIFOL-DTWKUNHWSA-N 1 0 303.322 1.280 20 5 DDBDRO Cc1c(NC(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000332717189 410230970 /nfs/dbraw/zinc/23/09/70/410230970.db2.gz WIMMZRDGKKFUIL-NWDGAFQWSA-N 1 0 304.350 1.976 20 5 DDBDRO C[C@@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H](C)[NH+]1C ZINC000339611643 410328251 /nfs/dbraw/zinc/32/82/51/410328251.db2.gz GLWPKERAKRFTEM-GHMZBOCLSA-N 1 0 303.366 1.996 20 5 DDBDRO CN1CC[C@](O)(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000358254180 410419315 /nfs/dbraw/zinc/41/93/15/410419315.db2.gz PDAYITXRDGJESZ-RDJZCZTQSA-N 1 0 319.405 1.572 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCC[N@H+](C)CC1 ZINC000298912125 410447123 /nfs/dbraw/zinc/44/71/23/410447123.db2.gz DECASMGLPXAVHK-UHFFFAOYSA-N 1 0 322.365 1.451 20 5 DDBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC[N@H+](CCO)[C@@H](C)C1 ZINC000347387460 410515132 /nfs/dbraw/zinc/51/51/32/410515132.db2.gz ZWBCDWJGGLZYMM-IPJDOKCGSA-N 1 0 319.405 1.997 20 5 DDBDRO C[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000352185436 410529909 /nfs/dbraw/zinc/52/99/09/410529909.db2.gz CJMXVBAGUNIJFI-QWHCGFSZSA-N 1 0 310.350 1.445 20 5 DDBDRO C[C@@H](C[NH3+])NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000347668915 410667143 /nfs/dbraw/zinc/66/71/43/410667143.db2.gz LRKKTWLXVJNBKA-VIFPVBQESA-N 1 0 303.322 1.072 20 5 DDBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@]1([NH+](C)C)CCSC1 ZINC000359545865 410723078 /nfs/dbraw/zinc/72/30/78/410723078.db2.gz KAQQHOYAGOARGS-ZDUSSCGKSA-N 1 0 313.427 1.969 20 5 DDBDRO Cc1n[nH]c(C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)c1[N+](=O)[O-] ZINC000353068157 410767336 /nfs/dbraw/zinc/76/73/36/410767336.db2.gz QMQOSLPKSVOLQB-LLVKDONJSA-N 1 0 307.354 1.231 20 5 DDBDRO CC[NH+](CC)CC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000359608174 410767745 /nfs/dbraw/zinc/76/77/45/410767745.db2.gz DOEOHSQMZJRTNG-UHFFFAOYSA-N 1 0 307.350 1.658 20 5 DDBDRO CC(C)[C@@H](C(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1)[NH+](C)C ZINC000359621750 410777655 /nfs/dbraw/zinc/77/76/55/410777655.db2.gz ZLISWEAJYLRRDI-HNNXBMFYSA-N 1 0 321.377 1.902 20 5 DDBDRO Cc1nn(CCC(=O)N2CC[N@@H+](C)CC2(C)C)c(C)c1[N+](=O)[O-] ZINC000330580962 410797599 /nfs/dbraw/zinc/79/75/99/410797599.db2.gz UAZQNBHMFTXHLT-UHFFFAOYSA-N 1 0 323.397 1.351 20 5 DDBDRO COc1cc(N[C@H](C)[C@@H]2CN(C)CCO2)c(F)cc1[N+](=O)[O-] ZINC000301935489 410832875 /nfs/dbraw/zinc/83/28/75/410832875.db2.gz RLDRMVVBQWTPIS-OTYXRUKQSA-N 1 0 313.329 1.874 20 5 DDBDRO C[C@H]1CN(c2ccc([N+](=O)[O-])c3cnccc32)CC[N@@H+]1CCO ZINC000302397745 410842889 /nfs/dbraw/zinc/84/28/89/410842889.db2.gz JJDSQMJWOUWVMY-LBPRGKRZSA-N 1 0 316.361 1.646 20 5 DDBDRO C[C@@H]1CC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H]1O ZINC000330649746 410851640 /nfs/dbraw/zinc/85/16/40/410851640.db2.gz JELPDOFQFIXSMW-UXIGCNINSA-N 1 0 310.350 1.037 20 5 DDBDRO C[C@@H]1C[N@H+](C)CCN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000330667350 410862188 /nfs/dbraw/zinc/86/21/88/410862188.db2.gz IUQOJZKRNTXDDC-GFCCVEGCSA-N 1 0 306.366 1.559 20 5 DDBDRO Cc1nn(CCC(=O)NCC[N@H+]2CC=CCC2)c(C)c1[N+](=O)[O-] ZINC000348356593 410932449 /nfs/dbraw/zinc/93/24/49/410932449.db2.gz ZQFQOJXNCBZXOR-UHFFFAOYSA-N 1 0 321.381 1.176 20 5 DDBDRO C[C@H]1CN(C)CCN1C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000331113755 410956680 /nfs/dbraw/zinc/95/66/80/410956680.db2.gz JKJYWGGVMMUSOP-VIFPVBQESA-N 1 0 313.304 1.578 20 5 DDBDRO C[C@@H]1C[C@H](CO)CC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000344133176 410979063 /nfs/dbraw/zinc/97/90/63/410979063.db2.gz PVXWHSINWAOKJG-MCIONIFRSA-N 1 0 324.377 1.427 20 5 DDBDRO CC(C)C[NH+]1CCN(c2cccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000341356236 411019316 /nfs/dbraw/zinc/01/93/16/411019316.db2.gz FHKFEVNCTHNCEJ-UHFFFAOYSA-N 1 0 306.366 1.472 20 5 DDBDRO CC1(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000129266806 196034053 /nfs/dbraw/zinc/03/40/53/196034053.db2.gz ZYLZGGPFASLHCR-UHFFFAOYSA-N 1 0 313.379 1.263 20 5 DDBDRO C[C@H](CCC[NH3+])NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000580072508 422883596 /nfs/dbraw/zinc/88/35/96/422883596.db2.gz LFWKQYXEHWMTHO-SECBINFHSA-N 1 0 309.322 1.223 20 5 DDBDRO C[C@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C[C@@H]1n1ccnc1 ZINC000129820508 196078128 /nfs/dbraw/zinc/07/81/28/196078128.db2.gz DBNCRLPUSOSBBL-STQMWFEESA-N 1 0 304.354 1.571 20 5 DDBDRO C[C@H]1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])[C@@H](C)[C@H]1[NH3+] ZINC000297386281 227098635 /nfs/dbraw/zinc/09/86/35/227098635.db2.gz NOOXZYWIBDEUGF-PGUXBMHVSA-N 1 0 306.366 1.591 20 5 DDBDRO CC1(C)C[N@H+](CCn2ccc([N+](=O)[O-])n2)C[C@]2(CCCOC2)O1 ZINC000373795776 418459750 /nfs/dbraw/zinc/45/97/50/418459750.db2.gz GCQQIUNHGYKOJF-HNNXBMFYSA-N 1 0 324.381 1.451 20 5 DDBDRO C[NH+]1CCC(N2CC[C@H](Nc3ncccc3[N+](=O)[O-])C2)CC1 ZINC000361029341 418569800 /nfs/dbraw/zinc/56/98/00/418569800.db2.gz AOUGICQIIVVVPA-LBPRGKRZSA-N 1 0 305.382 1.570 20 5 DDBDRO O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[C@@H]1C[NH+]2CCC1CC2 ZINC000366975345 418546097 /nfs/dbraw/zinc/54/60/97/418546097.db2.gz AWFIJQPAIINASV-GFCCVEGCSA-N 1 0 315.333 1.751 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)NCC[NH+]2CCCCCC2)n1 ZINC000191769508 222108833 /nfs/dbraw/zinc/10/88/33/222108833.db2.gz DRZOGIMGKYNGJZ-UHFFFAOYSA-N 1 0 309.370 1.417 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC(O[C@@H]3CCOC3)CC2)n1 ZINC000361438313 418652610 /nfs/dbraw/zinc/65/26/10/418652610.db2.gz XJRGUNXPCGIBRG-CYBMUJFWSA-N 1 0 310.354 1.061 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@@H](C)[C@@H](C)[NH3+])c1C ZINC000381500271 418728908 /nfs/dbraw/zinc/72/89/08/418728908.db2.gz SGZOHLHKUZULPN-ZJUUUORDSA-N 1 0 301.368 1.226 20 5 DDBDRO Cc1cc(N2CC[C@@H](N3CC[NH2+]CC3)C2)c(F)cc1[N+](=O)[O-] ZINC000390682838 418755393 /nfs/dbraw/zinc/75/53/93/418755393.db2.gz UZPCDQFIVALELD-GFCCVEGCSA-N 1 0 308.357 1.526 20 5 DDBDRO Nc1nc(N2CCC[C@H]2C[NH+]2CCCCCC2)ncc1[N+](=O)[O-] ZINC000364160056 418773904 /nfs/dbraw/zinc/77/39/04/418773904.db2.gz ZFOYKYZVZIJNGE-LBPRGKRZSA-N 1 0 320.397 1.812 20 5 DDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000422902528 227249931 /nfs/dbraw/zinc/24/99/31/227249931.db2.gz DQUHIBLZZGNRPP-AWEZNQCLSA-N 1 0 315.333 1.968 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3c(N)cccc3[N+](=O)[O-])C[C@@H]21 ZINC000371559691 418800833 /nfs/dbraw/zinc/80/08/33/418800833.db2.gz AHDIACKQTAIOBH-MFKMUULPSA-N 1 0 304.350 1.343 20 5 DDBDRO C[C@@H]1CC[S@](=O)CCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000365477777 418865790 /nfs/dbraw/zinc/86/57/90/418865790.db2.gz RBDVPGUKSYPYJM-DAKYAEBGSA-N 1 0 312.391 1.471 20 5 DDBDRO O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000365640264 418886568 /nfs/dbraw/zinc/88/65/68/418886568.db2.gz RLCDRXFLRAOIDP-NSHDSACASA-N 1 0 306.322 1.006 20 5 DDBDRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000424470076 228279199 /nfs/dbraw/zinc/27/91/99/228279199.db2.gz ZXNJXGKIIXIJFZ-CHWSQXEVSA-N 1 0 306.366 1.706 20 5 DDBDRO C[C@H]1C[C@H](CO)C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000420930641 419361379 /nfs/dbraw/zinc/36/13/79/419361379.db2.gz CRRPVFNDTKNSIB-STQMWFEESA-N 1 0 321.377 1.874 20 5 DDBDRO C[C@H]1CCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)[C@@H](C[NH3+])C1 ZINC000417931198 419395975 /nfs/dbraw/zinc/39/59/75/419395975.db2.gz BRJHBUQXONCRQT-SWLSCSKDSA-N 1 0 320.393 1.906 20 5 DDBDRO CC1(C)[C@H](O)CC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411745431 419396192 /nfs/dbraw/zinc/39/61/92/419396192.db2.gz MFXWUPZIRWMTAL-CYBMUJFWSA-N 1 0 307.350 1.769 20 5 DDBDRO [NH3+]CC[C@H]1CCCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000417944625 419406146 /nfs/dbraw/zinc/40/61/46/419406146.db2.gz PPNSECLQIKVUAN-CQSZACIVSA-N 1 0 320.393 1.908 20 5 DDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000420993405 419429501 /nfs/dbraw/zinc/42/95/01/419429501.db2.gz ATBYJVMNQOVPLL-DOMZBBRYSA-N 1 0 320.393 1.948 20 5 DDBDRO Cc1c(CNC(=O)NCC2=CC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000418079275 419517533 /nfs/dbraw/zinc/51/75/33/419517533.db2.gz KTDOOFRRBCCHRI-UHFFFAOYSA-N 1 0 304.350 1.622 20 5 DDBDRO Cc1c(CNC(=O)NC[C@@H]2CCC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000418083677 419520100 /nfs/dbraw/zinc/52/01/00/419520100.db2.gz SVRWVSUWFUBLMY-GFCCVEGCSA-N 1 0 306.366 1.702 20 5 DDBDRO C[NH2+]C[C@H]1CCN(C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000418238203 419636406 /nfs/dbraw/zinc/63/64/06/419636406.db2.gz XECJROJWVAYWDG-NWDGAFQWSA-N 1 0 306.366 1.907 20 5 DDBDRO CC(C)(NC(=O)N[C@H]1CCC[NH2+]C1)c1ccccc1[N+](=O)[O-] ZINC000418379336 419758293 /nfs/dbraw/zinc/75/82/93/419758293.db2.gz IUAPELOYSDTLGD-NSHDSACASA-N 1 0 306.366 1.881 20 5 DDBDRO C[C@H](O)C[NH+]1CCN(c2ccc([N+](=O)[O-])c3ncccc23)CC1 ZINC000413246805 419775934 /nfs/dbraw/zinc/77/59/34/419775934.db2.gz HSNXAXUARMHNRE-LBPRGKRZSA-N 1 0 316.361 1.646 20 5 DDBDRO CN(C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)C1C[NH2+]C1 ZINC000414927814 419879752 /nfs/dbraw/zinc/87/97/52/419879752.db2.gz AAZORTDYUYQOKT-UHFFFAOYSA-N 1 0 316.264 1.632 20 5 DDBDRO CN(Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C[C@@H](O)C[NH3+] ZINC000415055067 419926226 /nfs/dbraw/zinc/92/62/26/419926226.db2.gz MFXYOYPRZDCNKE-NSHDSACASA-N 1 0 305.334 1.606 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1c2ccccc2C[C@@H]1C[NH3+] ZINC000422626122 419961799 /nfs/dbraw/zinc/96/17/99/419961799.db2.gz IVRJHHKFWQRGCJ-GFCCVEGCSA-N 1 0 312.329 1.828 20 5 DDBDRO COC[C@@]1(CN[C@@H](C)Cc2ccccc2[N+](=O)[O-])CCC[NH2+]1 ZINC000423408903 420041659 /nfs/dbraw/zinc/04/16/59/420041659.db2.gz BBTVIQQMTUVADC-BBRMVZONSA-N 1 0 307.394 1.884 20 5 DDBDRO CC1(C)CCC[NH2+][C@@H]1CNC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000415388907 420046537 /nfs/dbraw/zinc/04/65/37/420046537.db2.gz SDLVFVMQPKYAFN-GFCCVEGCSA-N 1 0 307.354 1.311 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[NH2+][C@H](C)C2)c1 ZINC000423631490 420106650 /nfs/dbraw/zinc/10/66/50/420106650.db2.gz ZYLCIJZRJQDMPP-MNOVXSKESA-N 1 0 307.350 1.864 20 5 DDBDRO COc1ccc(NC(=O)N2C[C@H](C[NH3+])C[C@H]2C)cc1[N+](=O)[O-] ZINC000415449456 420071251 /nfs/dbraw/zinc/07/12/51/420071251.db2.gz VVGKOBJKMADPDG-ZJUUUORDSA-N 1 0 308.338 1.804 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000423526035 420073385 /nfs/dbraw/zinc/07/33/85/420073385.db2.gz KWVLYBFPSITKQR-MNOVXSKESA-N 1 0 307.350 1.803 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000415470652 420079432 /nfs/dbraw/zinc/07/94/32/420079432.db2.gz ZEAUOABUQQQDMY-LLVKDONJSA-N 1 0 322.365 1.250 20 5 DDBDRO [NH3+][C@@H]1CCCC[C@@H]1CC(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000423823151 420208658 /nfs/dbraw/zinc/20/86/58/420208658.db2.gz HMCLUGRYNAUOQB-BXUZGUMPSA-N 1 0 318.377 1.782 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000423754205 420162968 /nfs/dbraw/zinc/16/29/68/420162968.db2.gz ZCNDEMNDDSLARA-WDEREUQCSA-N 1 0 307.350 1.851 20 5 DDBDRO COC(=O)c1cc(C)nc(N2CC[C@H]3C[NH2+]C[C@@H]3C2)c1[N+](=O)[O-] ZINC000420263940 420173605 /nfs/dbraw/zinc/17/36/05/420173605.db2.gz TZWKHAKEMBNBHK-WDEREUQCSA-N 1 0 320.349 1.131 20 5 DDBDRO C[NH2+]C[C@@H]1CCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000430951925 420221734 /nfs/dbraw/zinc/22/17/34/420221734.db2.gz NNQGMSFCCYMVAO-LBPRGKRZSA-N 1 0 306.366 1.099 20 5 DDBDRO C[NH2+]CC1CCN([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000430951786 420222441 /nfs/dbraw/zinc/22/24/41/420222441.db2.gz NGFPGQAXQGQJHW-LBPRGKRZSA-N 1 0 320.393 1.853 20 5 DDBDRO C[NH2+]CCCN(C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000420386396 420254721 /nfs/dbraw/zinc/25/47/21/420254721.db2.gz IIYLMEMLSRIAPJ-UHFFFAOYSA-N 1 0 305.338 1.686 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@@H]2CCC[NH2+]C2)c1 ZINC000420404745 420264677 /nfs/dbraw/zinc/26/46/77/420264677.db2.gz NRVRDDQNHBXEPI-LLVKDONJSA-N 1 0 313.379 1.242 20 5 DDBDRO CN(C(=O)CSc1ccc([N+](=O)[O-])cc1)[C@H](C[NH3+])C1CC1 ZINC000423949329 420279996 /nfs/dbraw/zinc/27/99/96/420279996.db2.gz LXSCBURKGURJFW-CYBMUJFWSA-N 1 0 309.391 1.883 20 5 DDBDRO C[C@@H](CCC[NH3+])NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000420438333 420287723 /nfs/dbraw/zinc/28/77/23/420287723.db2.gz LDQNMJRLWYGFLP-NSHDSACASA-N 1 0 315.395 1.184 20 5 DDBDRO C[NH+](C)C[C@](C)(O)CNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000301773589 229885482 /nfs/dbraw/zinc/88/54/82/229885482.db2.gz MEGVYWYOVPQAIR-OAHLLOKOSA-N 1 0 304.350 1.868 20 5 DDBDRO C[NH+](C)C1(CNc2c(C(N)=O)cccc2[N+](=O)[O-])CCOCC1 ZINC000420599008 420328270 /nfs/dbraw/zinc/32/82/70/420328270.db2.gz KQBHXKNYRJCSMZ-UHFFFAOYSA-N 1 0 322.365 1.216 20 5 DDBDRO Cc1n[nH]c(C(=O)N2CC[NH2+]C[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000423992481 420296632 /nfs/dbraw/zinc/29/66/32/420296632.db2.gz GFTFMJOCCDTLAD-LBPRGKRZSA-N 1 0 315.333 1.413 20 5 DDBDRO CN(C)c1ncc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])n1C ZINC000425377941 420364981 /nfs/dbraw/zinc/36/49/81/420364981.db2.gz ILHCHUASGWOATJ-UHFFFAOYSA-N 1 0 318.381 1.360 20 5 DDBDRO O=C(CCNc1ccccc1[N+](=O)[O-])NCC[C@H]1CCC[NH2+]1 ZINC000444266077 230072566 /nfs/dbraw/zinc/07/25/66/230072566.db2.gz IHLNGOYEIFEERI-GFCCVEGCSA-N 1 0 306.366 1.655 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@H](c1cccnc1)C1CC1 ZINC000445806304 230196761 /nfs/dbraw/zinc/19/67/61/230196761.db2.gz UNKMDKKRTANPTG-INIZCTEOSA-N 1 0 314.345 1.892 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000354661628 306782484 /nfs/dbraw/zinc/78/24/84/306782484.db2.gz AZDBHDMEJMPFCX-LBPRGKRZSA-N 1 0 320.349 1.100 20 5 DDBDRO C[C@H]([NH3+])[C@H]1CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000447247178 230348477 /nfs/dbraw/zinc/34/84/77/230348477.db2.gz QEKPGWDYONZUAD-JQWIXIFHSA-N 1 0 313.379 1.094 20 5 DDBDRO C[C@H]1C[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])s2)CC[NH2+]1 ZINC000447252655 230352305 /nfs/dbraw/zinc/35/23/05/230352305.db2.gz SIOJVNDIUXRVSU-JGVFFNPUSA-N 1 0 305.381 1.075 20 5 DDBDRO CCCN(C(=O)NCCc1ccccc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000417762094 420471298 /nfs/dbraw/zinc/47/12/98/420471298.db2.gz IFGUQYHNRKVYRE-AWEZNQCLSA-N 1 0 320.393 1.921 20 5 DDBDRO CC1(C)CCC[N@@H+]1CCNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000457072505 420602389 /nfs/dbraw/zinc/60/23/89/420602389.db2.gz IYUORHMWUCSNGH-UHFFFAOYSA-N 1 0 321.377 1.964 20 5 DDBDRO Cc1ccc(S(=O)(=O)N[C@@H]2CC[NH2+]C[C@H]2C)c([N+](=O)[O-])c1 ZINC000440799993 420606155 /nfs/dbraw/zinc/60/61/55/420606155.db2.gz DFSJXNLOPOAKKV-GHMZBOCLSA-N 1 0 313.379 1.180 20 5 DDBDRO C[C@H]1C[NH2+]CC[C@H]1NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000440808215 420609117 /nfs/dbraw/zinc/60/91/17/420609117.db2.gz JZBNOTYIAHETDC-GXFFZTMASA-N 1 0 313.379 1.012 20 5 DDBDRO CNc1nc(C(=O)NCC[N@@H+]2CCCC2(C)C)ccc1[N+](=O)[O-] ZINC000457057173 420598218 /nfs/dbraw/zinc/59/82/18/420598218.db2.gz MQLYYRCIGNJCGB-UHFFFAOYSA-N 1 0 321.381 1.636 20 5 DDBDRO C[C@@H](CC[NH3+])NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000447245125 420768254 /nfs/dbraw/zinc/76/82/54/420768254.db2.gz FGIOMFMKSFOIQC-ZETCQYMHSA-N 1 0 307.759 1.264 20 5 DDBDRO CNc1nc(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)ccc1[N+](=O)[O-] ZINC000454747709 420918804 /nfs/dbraw/zinc/91/88/04/420918804.db2.gz CAXAUMQMJWENAA-CMPLNLGQSA-N 1 0 319.365 1.388 20 5 DDBDRO Cn1c(C(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC000449200838 420967469 /nfs/dbraw/zinc/96/74/69/420967469.db2.gz HLGWXTPEKFYWDQ-VXGBXAGGSA-N 1 0 306.366 1.395 20 5 DDBDRO Nc1c(C(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cccc1[N+](=O)[O-] ZINC000449202460 420969560 /nfs/dbraw/zinc/96/95/60/420969560.db2.gz FNJMFNISHVNOIE-RYUDHWBXSA-N 1 0 318.377 1.639 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCN(CCO)C[C@@H]1C ZINC000455200298 420981734 /nfs/dbraw/zinc/98/17/34/420981734.db2.gz VJMGOEJDVFQUJN-LBPRGKRZSA-N 1 0 322.365 1.434 20 5 DDBDRO C[C@@H]1CN(C/C=C\c2ccccc2[N+](=O)[O-])C[C@H](C)[N@H+]1CCO ZINC000449536579 421024317 /nfs/dbraw/zinc/02/43/17/421024317.db2.gz FMDMPXJEPMOXPD-LAMLHYTJSA-N 1 0 319.405 1.995 20 5 DDBDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000487437507 421026087 /nfs/dbraw/zinc/02/60/87/421026087.db2.gz ILZZPABOALXJNE-NEPJUHHUSA-N 1 0 323.397 1.515 20 5 DDBDRO CNc1nc(C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000455879217 421072745 /nfs/dbraw/zinc/07/27/45/421072745.db2.gz CBBPRZDXJQOUEJ-NXEZZACHSA-N 1 0 319.365 1.387 20 5 DDBDRO Cc1nn(CCC(=O)N[C@H]2CC[NH2+]C2(C)C)c(C)c1[N+](=O)[O-] ZINC000449750817 421074730 /nfs/dbraw/zinc/07/47/30/421074730.db2.gz JSVQFUDRCHRHCH-NSHDSACASA-N 1 0 309.370 1.055 20 5 DDBDRO CC[C@H]1C[N@H+](CC)CCN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000456335301 421144200 /nfs/dbraw/zinc/14/42/00/421144200.db2.gz AJDZELPTNPCLNK-ZDUSSCGKSA-N 1 0 320.393 1.949 20 5 DDBDRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)c1ccc([N+](=O)[O-])c(NC)n1 ZINC000456357979 421149553 /nfs/dbraw/zinc/14/95/53/421149553.db2.gz STPCNWPTICWYJX-LLVKDONJSA-N 1 0 321.381 1.588 20 5 DDBDRO CC[C@@H](C)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])cnc2C)CC1 ZINC000456554468 421182890 /nfs/dbraw/zinc/18/28/90/421182890.db2.gz OXLVBHWNGUQION-LLVKDONJSA-N 1 0 306.366 1.855 20 5 DDBDRO CN1CC[NH+](CCC(C)(C)Nc2ccc([N+](=O)[O-])nc2)CC1 ZINC000450459825 421200268 /nfs/dbraw/zinc/20/02/68/421200268.db2.gz LUGCEDAXKXMZBB-UHFFFAOYSA-N 1 0 307.398 1.818 20 5 DDBDRO CC(C)[N@@H+]1CC[C@H](CNc2c(C(N)=O)cccc2[N+](=O)[O-])C1 ZINC000562927002 421426993 /nfs/dbraw/zinc/42/69/93/421426993.db2.gz ZRVNHMVCPJJIDQ-LLVKDONJSA-N 1 0 306.366 1.836 20 5 DDBDRO CN(CC[NH+](C)C)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000530630561 421610557 /nfs/dbraw/zinc/61/05/57/421610557.db2.gz XKPJKNVXBOBORD-UHFFFAOYSA-N 1 0 310.354 1.177 20 5 DDBDRO C[NH+](C)CC1(CNC(=O)c2ccnc(N)c2[N+](=O)[O-])CCCC1 ZINC000553556040 421620385 /nfs/dbraw/zinc/62/03/85/421620385.db2.gz FKAMAUTUSPFSDZ-UHFFFAOYSA-N 1 0 321.381 1.424 20 5 DDBDRO CCCN(C(=O)NCc1cccc([N+](=O)[O-])c1)[C@H]1CC[NH2+]C1 ZINC000570814818 421670614 /nfs/dbraw/zinc/67/06/14/421670614.db2.gz NGCQKDMIEDDPHH-AWEZNQCLSA-N 1 0 306.366 1.878 20 5 DDBDRO CC[NH+](CC)CCCCNC(=O)c1ccnc(NC)c1[N+](=O)[O-] ZINC000518997164 421675812 /nfs/dbraw/zinc/67/58/12/421675812.db2.gz ONJFWRMTNAAEJO-UHFFFAOYSA-N 1 0 323.397 1.883 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C)C(C)(C)C1 ZINC000556804198 421739648 /nfs/dbraw/zinc/73/96/48/421739648.db2.gz BYBBAIHVWASHOZ-UHFFFAOYSA-N 1 0 307.350 1.770 20 5 DDBDRO C[C@@H]1CN(CCNc2ncnc3cccc([N+](=O)[O-])c32)CCO1 ZINC000542508628 421824426 /nfs/dbraw/zinc/82/44/26/421824426.db2.gz LMVXGFYMDFYKMO-LLVKDONJSA-N 1 0 317.349 1.671 20 5 DDBDRO CSCCC[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000521031202 421770709 /nfs/dbraw/zinc/77/07/09/421770709.db2.gz VDRNEJCBALAJHW-LLVKDONJSA-N 1 0 300.380 1.677 20 5 DDBDRO CC[C@H]1C[N@H+](C)CCN1C(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000521300910 421780399 /nfs/dbraw/zinc/78/03/99/421780399.db2.gz GKEIASKKCOPTKE-AWEZNQCLSA-N 1 0 305.378 1.998 20 5 DDBDRO Nc1nc(NCCc2ccc([N+](=O)[O-])cc2)c2c([nH+]1)CCCC2 ZINC000591900464 422328978 /nfs/dbraw/zinc/32/89/78/422328978.db2.gz FCMQAEOGAOSUAJ-UHFFFAOYSA-N 1 0 313.361 1.922 20 5 DDBDRO O=C(C[C@H]1CC[NH2+]C1)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000592070075 422329716 /nfs/dbraw/zinc/32/97/16/422329716.db2.gz DZRIFMSQYJGARU-SNVBAGLBSA-N 1 0 315.333 1.923 20 5 DDBDRO Nc1nccc(C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000594283001 422343824 /nfs/dbraw/zinc/34/38/24/422343824.db2.gz XYPPILMCRRZHSB-NSHDSACASA-N 1 0 319.365 1.272 20 5 DDBDRO Cc1c(C[NH3+])c(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)nn1C ZINC000595963048 422360008 /nfs/dbraw/zinc/36/00/08/422360008.db2.gz YNHXMQUZFUVCRD-UHFFFAOYSA-N 1 0 303.322 1.656 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC000579194840 422720885 /nfs/dbraw/zinc/72/08/85/422720885.db2.gz BDKXQNXVVVDEBU-ZDUSSCGKSA-N 1 0 307.350 1.721 20 5 DDBDRO CCN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C[C@H]1CCCO1 ZINC000114726426 263337674 /nfs/dbraw/zinc/33/76/74/263337674.db2.gz CLRAUQLTURPLIU-CYBMUJFWSA-N 1 0 307.350 1.695 20 5 DDBDRO COc1cc(C(=O)N[C@H](C)C[C@@H](C)[NH3+])c([N+](=O)[O-])cc1OC ZINC000320367964 271024377 /nfs/dbraw/zinc/02/43/77/271024377.db2.gz QFHGVXALUOHKTN-RKDXNWHRSA-N 1 0 311.338 1.468 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000323467067 271031017 /nfs/dbraw/zinc/03/10/17/271031017.db2.gz DQNDHLWVHGEYJL-AWEZNQCLSA-N 1 0 314.345 1.550 20 5 DDBDRO CCS(=O)(=O)C[C@H](C)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000341716407 271186220 /nfs/dbraw/zinc/18/62/20/271186220.db2.gz YAGXYCZLGZIXOC-NSHDSACASA-N 1 0 300.380 1.550 20 5 DDBDRO COC(=O)c1cc(NC(=O)[C@H]([NH3+])CC(F)F)cc([N+](=O)[O-])c1 ZINC000345717102 272312619 /nfs/dbraw/zinc/31/26/19/272312619.db2.gz RRHPYUCAUSDQIV-SECBINFHSA-N 1 0 317.248 1.302 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H]2CCn3cncc3C2)cc1 ZINC001120599256 782047565 /nfs/dbraw/zinc/04/75/65/782047565.db2.gz JAOBLRPKSVUMAA-SWLSCSKDSA-N 1 0 302.334 1.429 20 5 DDBDRO C[NH2+]C1CCN(Cc2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000347214705 272631750 /nfs/dbraw/zinc/63/17/50/272631750.db2.gz QBPVQHPDMFNYIB-UHFFFAOYSA-N 1 0 309.366 1.796 20 5 DDBDRO CC(C)(C)[NH+]1CCC(Nc2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000298750137 273498544 /nfs/dbraw/zinc/49/85/44/273498544.db2.gz TZZPKBHAFHNSFG-UHFFFAOYSA-N 1 0 321.381 1.764 20 5 DDBDRO C[NH2+]C[C@H]1CCCN(CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000261834524 273966868 /nfs/dbraw/zinc/96/68/68/273966868.db2.gz BZDPCMJINZDVII-GFCCVEGCSA-N 1 0 306.366 1.465 20 5 DDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCCN1CCO ZINC000449398919 274231422 /nfs/dbraw/zinc/23/14/22/274231422.db2.gz WYNKDZYNDPHJBG-HOCLYGCPSA-N 1 0 321.421 1.962 20 5 DDBDRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000423545356 274306365 /nfs/dbraw/zinc/30/63/65/274306365.db2.gz AWAYNVVSOUDYEY-MFKMUULPSA-N 1 0 314.345 1.871 20 5 DDBDRO Cc1c(C(=O)N2CC([NH+](C)C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000134906643 274659075 /nfs/dbraw/zinc/65/90/75/274659075.db2.gz XHYKLGGNSZFDRG-UHFFFAOYSA-N 1 0 308.294 1.197 20 5 DDBDRO CC(=O)NCCC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447536302 277032041 /nfs/dbraw/zinc/03/20/41/277032041.db2.gz MHIGBQBOPYFTMG-STQMWFEESA-N 1 0 309.370 1.391 20 5 DDBDRO C[N@@H+]1CCO[C@H]2CN(c3ccc4cc([N+](=O)[O-])ccc4n3)C[C@H]21 ZINC000301658148 277131360 /nfs/dbraw/zinc/13/13/60/277131360.db2.gz LTIMTAYWLLBBPA-CABCVRRESA-N 1 0 314.345 1.662 20 5 DDBDRO C[NH2+]C[C@@H]1CCCN1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000430572869 277278602 /nfs/dbraw/zinc/27/86/02/277278602.db2.gz PEBJDEMWRACDSD-ZDUSSCGKSA-N 1 0 306.366 1.526 20 5 DDBDRO C[C@@H]1CN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@@H](C)[NH2+]1 ZINC000429367434 288021726 /nfs/dbraw/zinc/02/17/26/288021726.db2.gz UCPJFMFJHCHBTR-NXEZZACHSA-N 1 0 321.333 1.188 20 5 DDBDRO C[C@@H](C[NH3+])N(C)C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237477466 278247560 /nfs/dbraw/zinc/24/75/60/278247560.db2.gz UYINLZDDBAFVIK-JTQLQIEISA-N 1 0 303.322 1.200 20 5 DDBDRO C[C@H](C[NH3+])N(C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000430945824 279292789 /nfs/dbraw/zinc/29/27/89/279292789.db2.gz TWRLRVJDMQIVCW-MRVPVSSYSA-N 1 0 300.746 1.466 20 5 DDBDRO Cn1c(C(=O)N2CCC[C@H]2C[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000338682866 279305875 /nfs/dbraw/zinc/30/58/75/279305875.db2.gz URXYSCODCYKAEL-LBPRGKRZSA-N 1 0 306.366 1.634 20 5 DDBDRO C[NH2+]C[C@@H](C)CNS(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000124105119 281183880 /nfs/dbraw/zinc/18/38/80/281183880.db2.gz KALSYIVHGRIOSJ-SNVBAGLBSA-N 1 0 301.368 1.037 20 5 DDBDRO O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])NC[C@H]1CCC[NH2+]C1 ZINC000129922826 281361739 /nfs/dbraw/zinc/36/17/39/281361739.db2.gz NCRIMMULZWVRKN-MALLOTDXSA-N 1 0 307.325 1.863 20 5 DDBDRO C[NH+](C)C[C@@H]1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000154799882 281803692 /nfs/dbraw/zinc/80/36/92/281803692.db2.gz CLEKJOPCQBKHEK-AWEZNQCLSA-N 1 0 305.378 1.938 20 5 DDBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@@H](O)[C@@H]1CCOC1)C1CC1 ZINC000358052698 299058217 /nfs/dbraw/zinc/05/82/17/299058217.db2.gz YLWVNQNZQDQMMK-HLLBOEOZSA-N 1 0 320.389 1.903 20 5 DDBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1C[C@H](CO)[C@H](C)C1 ZINC000362096546 300004015 /nfs/dbraw/zinc/00/40/15/300004015.db2.gz MWQTVAKGOCOSDS-GRYCIOLGSA-N 1 0 307.350 1.482 20 5 DDBDRO Cn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)n1 ZINC000367281388 300821053 /nfs/dbraw/zinc/82/10/53/300821053.db2.gz XHIZPZWRNYMNMZ-NSHDSACASA-N 1 0 307.354 1.029 20 5 DDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000368318290 301001644 /nfs/dbraw/zinc/00/16/44/301001644.db2.gz QNBOPDPMBLWAQS-LBPRGKRZSA-N 1 0 311.363 1.015 20 5 DDBDRO C[C@@H](CO)[N@@H+]1CCCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000368953014 301109456 /nfs/dbraw/zinc/10/94/56/301109456.db2.gz ZGWFQIKJCFYHNR-ZDUSSCGKSA-N 1 0 321.377 1.052 20 5 DDBDRO Cc1c(C[N@@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)cccc1[N+](=O)[O-] ZINC000368976267 301115714 /nfs/dbraw/zinc/11/57/14/301115714.db2.gz VGECAVZOBQBKCJ-GUTXKFCHSA-N 1 0 303.362 1.989 20 5 DDBDRO NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000368976929 301115986 /nfs/dbraw/zinc/11/59/86/301115986.db2.gz ZVOQIXYJCRFJCJ-ATGSNQNLSA-N 1 0 319.361 1.214 20 5 DDBDRO COc1cc(C(=O)N(C2CC2)C2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000370790251 301393158 /nfs/dbraw/zinc/39/31/58/301393158.db2.gz ZUSQYJNLKNGLAF-UHFFFAOYSA-N 1 0 319.361 1.960 20 5 DDBDRO C[C@@H]1COCC[C@H]1C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000576031467 304748078 /nfs/dbraw/zinc/74/80/78/304748078.db2.gz XHLMXBKTLHTLIA-VNHYZAJKSA-N 1 0 324.377 1.597 20 5 DDBDRO CCC[N@@H+]1CCCN(C(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000376501003 302085646 /nfs/dbraw/zinc/08/56/46/302085646.db2.gz NEWDPVPLOCRQIT-UHFFFAOYSA-N 1 0 307.354 1.361 20 5 DDBDRO CNc1ccc(C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000538714003 303389986 /nfs/dbraw/zinc/38/99/86/303389986.db2.gz GFVUDZNREXXXAJ-NHYWBVRUSA-N 1 0 318.377 1.803 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000357785841 306914488 /nfs/dbraw/zinc/91/44/88/306914488.db2.gz DMODAMAUCPNMLF-HNNXBMFYSA-N 1 0 307.350 1.752 20 5 DDBDRO CC[NH+](CC)C[C@@H](C)Nc1ncc(C(=O)OC)cc1[N+](=O)[O-] ZINC000358147587 306931728 /nfs/dbraw/zinc/93/17/28/306931728.db2.gz JZFDAFMYTBNUHI-SNVBAGLBSA-N 1 0 310.354 1.919 20 5 DDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCCOCCO)n1 ZINC000447596910 304811686 /nfs/dbraw/zinc/81/16/86/304811686.db2.gz RBJMQKZSPBYTGM-QWHCGFSZSA-N 1 0 312.370 1.264 20 5 DDBDRO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NCC[NH+]1CCCC1 ZINC000362389283 307020445 /nfs/dbraw/zinc/02/04/45/307020445.db2.gz NJBBQDGVZGNMBE-UHFFFAOYSA-N 1 0 313.304 1.628 20 5 DDBDRO Cc1cc(N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)ncc1[N+](=O)[O-] ZINC000364887495 307052405 /nfs/dbraw/zinc/05/24/05/307052405.db2.gz JEHNEPJRDCNOHA-CYBMUJFWSA-N 1 0 319.409 1.879 20 5 DDBDRO C[C@@H](CO)[N@@H+]1CCCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000364894535 307052802 /nfs/dbraw/zinc/05/28/02/307052802.db2.gz KJRYQMPIIXWBNE-AWEZNQCLSA-N 1 0 323.393 1.362 20 5 DDBDRO COc1cccc(N2CCC[N@@H+]([C@@H](C)CO)CC2)c1[N+](=O)[O-] ZINC000364976289 307055678 /nfs/dbraw/zinc/05/56/78/307055678.db2.gz DNDLKTBZEIFXGP-LBPRGKRZSA-N 1 0 309.366 1.496 20 5 DDBDRO O=C1CC[C@@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)[C@@H](C2CC2)N1 ZINC000367446255 307093672 /nfs/dbraw/zinc/09/36/72/307093672.db2.gz CPJNQAKSANIGRU-GDBMZVCRSA-N 1 0 319.361 1.620 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2C[C@H]3CCC[C@@H](C2)C3O)c1 ZINC000370997932 307140200 /nfs/dbraw/zinc/14/02/00/307140200.db2.gz KLUGQRORYKFZAE-CSOLROPVSA-N 1 0 306.362 1.721 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c(F)c1 ZINC000375774430 307230692 /nfs/dbraw/zinc/23/06/92/307230692.db2.gz OWPZEJWHDVBBQN-HUUCEWRRSA-N 1 0 309.341 1.769 20 5 DDBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000376262278 307241851 /nfs/dbraw/zinc/24/18/51/307241851.db2.gz NYAURZKPGWFYEY-VXGBXAGGSA-N 1 0 316.365 1.701 20 5 DDBDRO O=C1NC[C@H]2C[N@H+](CCOc3ccccc3[N+](=O)[O-])CC[C@H]12 ZINC000377683740 307275795 /nfs/dbraw/zinc/27/57/95/307275795.db2.gz UZVIEAWEUMLMOZ-RYUDHWBXSA-N 1 0 305.334 1.042 20 5 DDBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@@H](c3nnc[nH]3)C2)c1 ZINC000377988177 307279704 /nfs/dbraw/zinc/27/97/04/307279704.db2.gz JNRZXPBBYFVXEG-GFCCVEGCSA-N 1 0 317.349 1.971 20 5 DDBDRO O=C(Cn1cc([N+](=O)[O-])cn1)Nc1cccc2c1CC[NH2+]C2 ZINC000564837358 308007859 /nfs/dbraw/zinc/00/78/59/308007859.db2.gz WDOLVMDSUKVGRW-UHFFFAOYSA-N 1 0 301.306 1.076 20 5 DDBDRO COc1ccc(CC(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)cc1[N+](=O)[O-] ZINC000564933852 308013257 /nfs/dbraw/zinc/01/32/57/308013257.db2.gz XMIITKFGIZZSFI-QWHCGFSZSA-N 1 0 319.361 1.356 20 5 DDBDRO COc1ccc(CC(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000565417664 308030358 /nfs/dbraw/zinc/03/03/58/308030358.db2.gz IOYFINVYCDWAFU-DGCLKSJQSA-N 1 0 321.377 1.650 20 5 DDBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CC1CCS(=O)(=O)CC1 ZINC000566474761 308053940 /nfs/dbraw/zinc/05/39/40/308053940.db2.gz IDIQDDDCIWLXSD-AWEZNQCLSA-N 1 0 324.402 1.997 20 5 DDBDRO CN1C(=O)N[C@@H]2CN(CC=Cc3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000570112889 308158996 /nfs/dbraw/zinc/15/89/96/308158996.db2.gz KLZREBRAKKDVSR-CWNOIDMWSA-N 1 0 316.361 1.706 20 5 DDBDRO O=C(C[C@H]1COCC[NH2+]1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000571883851 308205733 /nfs/dbraw/zinc/20/57/33/308205733.db2.gz GTFQQVNLGAMGQB-ZDUSSCGKSA-N 1 0 319.361 1.464 20 5 DDBDRO CC[NH2+]Cc1ccccc1NC(=O)c1c([N+](=O)[O-])cnn1C ZINC000573445304 308240382 /nfs/dbraw/zinc/24/03/82/308240382.db2.gz SGDNVFGXRNQZCP-UHFFFAOYSA-N 1 0 303.322 1.690 20 5 DDBDRO CC1(C)[C@H](O)C[C@@H]1[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000578080379 308435960 /nfs/dbraw/zinc/43/59/60/308435960.db2.gz VCIPYLUFEUKSNS-UONOGXRCSA-N 1 0 319.361 1.233 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)n1 ZINC000578231667 308447697 /nfs/dbraw/zinc/44/76/97/308447697.db2.gz YJHFYDWWQIWXTB-AXFHLTTASA-N 1 0 307.354 1.011 20 5 DDBDRO C[C@H](O)C[C@H](C)C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000578987563 308499168 /nfs/dbraw/zinc/49/91/68/308499168.db2.gz GLCHESYBVGMSNF-OBJOEFQTSA-N 1 0 312.366 1.331 20 5 DDBDRO O=C(CC[NH2+]C1CC1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000580582644 308616744 /nfs/dbraw/zinc/61/67/44/308616744.db2.gz PEAYKHNRHVDFQK-UHFFFAOYSA-N 1 0 307.354 1.097 20 5 DDBDRO CC[C@H](C)[C@H](O)C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000580892194 308638836 /nfs/dbraw/zinc/63/88/36/308638836.db2.gz AIKIIQWBDVFKLX-CORIIIEPSA-N 1 0 312.366 1.331 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CC[C@H]2CCCCO2)c1 ZINC000571672494 484342470 /nfs/dbraw/zinc/34/24/70/484342470.db2.gz ULVDORVXNKEYQF-HUUCEWRRSA-N 1 0 324.377 1.883 20 5 DDBDRO CCc1ccc(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1[N+](=O)[O-] ZINC000184959566 490689806 /nfs/dbraw/zinc/68/98/06/490689806.db2.gz PEJVLHIDVPTZOP-BFHYXJOUSA-N 1 0 303.362 1.967 20 5 DDBDRO COC(=O)c1cc(C(=O)N[C@H]2C[NH2+]CC[C@H]2C)cc([N+](=O)[O-])c1 ZINC000423574157 533744186 /nfs/dbraw/zinc/74/41/86/533744186.db2.gz WYHIKIHGLNVRCP-RNCFNFMXSA-N 1 0 321.333 1.109 20 5 DDBDRO COc1cc(C[N@H+](C)[C@H](CO)COC(C)C)ccc1[N+](=O)[O-] ZINC000433162281 533794475 /nfs/dbraw/zinc/79/44/75/533794475.db2.gz UEBRZSPUVKBCRH-CYBMUJFWSA-N 1 0 312.366 1.821 20 5 DDBDRO C[C@@H]1C[C@H](C)N(C(=O)COc2ccc([N+](=O)[O-])cc2)C[C@@H]1C[NH3+] ZINC000424061644 533810965 /nfs/dbraw/zinc/81/09/65/533810965.db2.gz YFLSGLABBWQPPF-AGIUHOORSA-N 1 0 321.377 1.805 20 5 DDBDRO [NH3+]CCC[C@@H](NC(=O)c1cc([N+](=O)[O-])n[nH]1)c1ccccc1 ZINC000423978948 534620291 /nfs/dbraw/zinc/62/02/91/534620291.db2.gz XKDXFVUFYBVWAL-LLVKDONJSA-N 1 0 303.322 1.528 20 5 DDBDRO CCO[C@@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H]1C ZINC000451546095 527764172 /nfs/dbraw/zinc/76/41/72/527764172.db2.gz RUWREUVSSJMUOK-XHDPSFHLSA-N 1 0 321.377 1.941 20 5 DDBDRO CCO[C@@H]1COC[C@H]1[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000451940544 527785679 /nfs/dbraw/zinc/78/56/79/527785679.db2.gz UTGWVQVAYUDLTK-ZIAGYGMSSA-N 1 0 323.349 1.317 20 5 DDBDRO CCC[C@H](O)[C@H](CO)[NH2+]Cc1cc([N+](=O)[O-])ccc1OCC ZINC000419818087 528328057 /nfs/dbraw/zinc/32/80/57/528328057.db2.gz LBKFVUBDRQMUDR-KBPBESRZSA-N 1 0 312.366 1.605 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)c1 ZINC000422825866 528610953 /nfs/dbraw/zinc/61/09/53/528610953.db2.gz QCTREZFQANRHQL-QWRGUYRKSA-N 1 0 307.350 1.816 20 5 DDBDRO CC(C)[C@@H]1CN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000490294145 528737478 /nfs/dbraw/zinc/73/74/78/528737478.db2.gz ZKUYPJUEFUNPMX-LBPRGKRZSA-N 1 0 308.338 1.108 20 5 DDBDRO CCCC[C@H](C[NH3+])NC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000417238330 528942337 /nfs/dbraw/zinc/94/23/37/528942337.db2.gz YHEXQORJNXZKIN-CYBMUJFWSA-N 1 0 308.382 1.954 20 5 DDBDRO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000424048740 529130829 /nfs/dbraw/zinc/13/08/29/529130829.db2.gz ZKLBROGLCZJBTD-LBPRGKRZSA-N 1 0 307.354 1.168 20 5 DDBDRO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000174860233 535470208 /nfs/dbraw/zinc/47/02/08/535470208.db2.gz NUVNTLBBUXAJDB-CYBMUJFWSA-N 1 0 309.370 1.124 20 5 DDBDRO CC[N@H+]1C[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)[C@@H](C)C1 ZINC000821242876 606732149 /nfs/dbraw/zinc/73/21/49/606732149.db2.gz XGIKUCLABASLQB-ZANVPECISA-N 1 0 317.353 1.527 20 5 DDBDRO C[NH2+]CCCNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000123018843 696727788 /nfs/dbraw/zinc/72/77/88/696727788.db2.gz BBNVYEMRAZGUEI-UHFFFAOYSA-N 1 0 307.759 1.136 20 5 DDBDRO Cc1cc(OCC(=O)N2CCN(C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000797731691 700021934 /nfs/dbraw/zinc/02/19/34/700021934.db2.gz CPUIWWJQQQSAFE-GFCCVEGCSA-N 1 0 307.350 1.445 20 5 DDBDRO CC(C)[N@H+](C)CCNC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000101953272 696609458 /nfs/dbraw/zinc/60/94/58/696609458.db2.gz SLQSTRYDYLUUAJ-UHFFFAOYSA-N 1 0 313.329 1.569 20 5 DDBDRO COc1ccc(CN(C)[C@H]2CCCCNC2=O)cc1[N+](=O)[O-] ZINC000105613019 696623905 /nfs/dbraw/zinc/62/39/05/696623905.db2.gz HAYSAKDHCRWCPX-LBPRGKRZSA-N 1 0 307.350 1.704 20 5 DDBDRO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000123407910 696731584 /nfs/dbraw/zinc/73/15/84/696731584.db2.gz QJZWOQBMVWVFFF-VIFPVBQESA-N 1 0 317.342 1.154 20 5 DDBDRO CCC[NH2+]CCNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000126842618 696765702 /nfs/dbraw/zinc/76/57/02/696765702.db2.gz FNUTWRBIKJLXNF-UHFFFAOYSA-N 1 0 305.331 1.012 20 5 DDBDRO COCC[C@@H](CO)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000798940388 700106036 /nfs/dbraw/zinc/10/60/36/700106036.db2.gz GNYLRHBYESUGBL-AWEZNQCLSA-N 1 0 323.393 1.551 20 5 DDBDRO O=C(C[C@@H]1CSCC[NH2+]1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000238043310 697816290 /nfs/dbraw/zinc/81/62/90/697816290.db2.gz SNEJKDOMDDYIIU-LLVKDONJSA-N 1 0 307.375 1.579 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@@H]3CCC=CO3)CC2)cn1 ZINC000774836545 697933434 /nfs/dbraw/zinc/93/34/34/697933434.db2.gz SOWVLCVFVPDWDI-AWEZNQCLSA-N 1 0 304.350 1.805 20 5 DDBDRO Cc1nn(CN2CC[NH+](C3CC3)CC2)c2ncc([N+](=O)[O-])cc12 ZINC000749949263 700193982 /nfs/dbraw/zinc/19/39/82/700193982.db2.gz NDIIEUYMLZIDJU-UHFFFAOYSA-N 1 0 316.365 1.385 20 5 DDBDRO CC[N@@H+](Cc1cnn(C)c1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776273992 698091027 /nfs/dbraw/zinc/09/10/27/698091027.db2.gz AXGSRGHDSOMRKZ-OAHLLOKOSA-N 1 0 304.350 1.884 20 5 DDBDRO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)OCCC[NH+]1CCCC1 ZINC000800182164 700198703 /nfs/dbraw/zinc/19/87/03/700198703.db2.gz WCSHNHSTNFVQQV-UHFFFAOYSA-N 1 0 311.313 1.959 20 5 DDBDRO CCO[C@@H]1COCC[C@H]1[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000776484389 698109879 /nfs/dbraw/zinc/10/98/79/698109879.db2.gz GIVFMAMRGXXSAR-QLFBSQMISA-N 1 0 310.350 1.412 20 5 DDBDRO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776583089 698121745 /nfs/dbraw/zinc/12/17/45/698121745.db2.gz ZLXFRRANJPGGTM-QKCSRTOESA-N 1 0 307.350 1.214 20 5 DDBDRO CN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000750066375 700202057 /nfs/dbraw/zinc/20/20/57/700202057.db2.gz ISYXXUOBHMDGHR-HZPDHXFCSA-N 1 0 305.378 1.797 20 5 DDBDRO Cc1nn(CN2CCC[C@H]3C[N@H+](C)CC[C@H]32)c(C)c1[N+](=O)[O-] ZINC000247049839 698360276 /nfs/dbraw/zinc/36/02/76/698360276.db2.gz UDZUMXOGBZWUGH-UONOGXRCSA-N 1 0 307.398 1.782 20 5 DDBDRO C[C@@H]([NH3+])CC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000261860077 698441675 /nfs/dbraw/zinc/44/16/75/698441675.db2.gz POQIVDRCZPDPRY-LLVKDONJSA-N 1 0 307.350 1.702 20 5 DDBDRO C[C@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@H]1O ZINC000782524608 698734412 /nfs/dbraw/zinc/73/44/12/698734412.db2.gz OMGPJTVWRLUXRF-TVQRCGJNSA-N 1 0 311.313 1.375 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@H]2CCc3ccccc3OC2)c1 ZINC000338323000 698781111 /nfs/dbraw/zinc/78/11/11/698781111.db2.gz LEGADTWNJNUTLJ-CYBMUJFWSA-N 1 0 302.334 1.775 20 5 DDBDRO C[C@@H]1CCC[N@@H+]1CCNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000783923323 698892745 /nfs/dbraw/zinc/89/27/45/698892745.db2.gz YCYQHUUJOBDBAJ-SNVBAGLBSA-N 1 0 321.333 1.538 20 5 DDBDRO O=C(CNc1ccccc1[N+](=O)[O-])N1CC[C@]2(CCC[NH2+]2)C1 ZINC000424024402 699147292 /nfs/dbraw/zinc/14/72/92/699147292.db2.gz HGTGGHIQRJIDCH-OAHLLOKOSA-N 1 0 304.350 1.361 20 5 DDBDRO C[NH+](C)[C@H]1CCC[C@@H](Nc2cc(N)c([N+](=O)[O-])c(CO)c2)C1 ZINC000786803939 699169838 /nfs/dbraw/zinc/16/98/38/699169838.db2.gz KIOWRHBBLFZTHR-YPMHNXCESA-N 1 0 308.382 1.954 20 5 DDBDRO CON(C)C(=O)CC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000788010912 699266640 /nfs/dbraw/zinc/26/66/40/699266640.db2.gz SSMIMBSMIGVDIA-UHFFFAOYSA-N 1 0 322.365 1.127 20 5 DDBDRO C[N@@H+]1CCCC[C@H]1CCn1cc([N+](=O)[O-])c(=O)c([N+](=O)[O-])c1 ZINC000789955454 699425175 /nfs/dbraw/zinc/42/51/75/699425175.db2.gz OUDYDADAMZPDGF-JTQLQIEISA-N 1 0 310.310 1.539 20 5 DDBDRO COC(=O)CC(C)(C)[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792872655 699720062 /nfs/dbraw/zinc/72/00/62/699720062.db2.gz PMYKBVCCMHWPQP-UHFFFAOYSA-N 1 0 311.294 1.934 20 5 DDBDRO C[N@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C(C)(C)CO ZINC000736310940 699723627 /nfs/dbraw/zinc/72/36/27/699723627.db2.gz ACFXBSGGDKJEAM-UHFFFAOYSA-N 1 0 315.757 1.889 20 5 DDBDRO CCN(C[C@H]1CCOC1)Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000794632452 699820137 /nfs/dbraw/zinc/82/01/37/699820137.db2.gz PJIBAODOCUFDTM-LLVKDONJSA-N 1 0 321.333 1.819 20 5 DDBDRO C[C@@H]1C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)Cc2ccccc21 ZINC000744385198 699947449 /nfs/dbraw/zinc/94/74/49/699947449.db2.gz MZKFFYHYVHAYNT-DOMZBBRYSA-N 1 0 316.361 1.772 20 5 DDBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](CCC3OCCCO3)C2)nc1 ZINC000754652250 700516948 /nfs/dbraw/zinc/51/69/48/700516948.db2.gz MDEWSJXAQGUMLF-LBPRGKRZSA-N 1 0 322.365 1.629 20 5 DDBDRO COC1(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000758345057 700700190 /nfs/dbraw/zinc/70/01/90/700700190.db2.gz XYSKFASXBBPBSR-CQSZACIVSA-N 1 0 310.350 1.413 20 5 DDBDRO C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CN1C1CC1 ZINC000765847416 701028821 /nfs/dbraw/zinc/02/88/21/701028821.db2.gz CHICXOHPGOLBCJ-AXAPSJFSSA-N 1 0 305.378 1.843 20 5 DDBDRO C[C@H]1CC[N@H+](CCNS(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000768848116 701209630 /nfs/dbraw/zinc/20/96/30/701209630.db2.gz SITRBELIUGCURY-VIFPVBQESA-N 1 0 319.408 1.276 20 5 DDBDRO Cc1c(CC(=O)N[C@@H](C)C2CC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000868014936 701892752 /nfs/dbraw/zinc/89/27/52/701892752.db2.gz ZNKPXQJWTDGGPX-LBPRGKRZSA-N 1 0 305.378 1.950 20 5 DDBDRO C[C@H](NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815576033 701898441 /nfs/dbraw/zinc/89/84/41/701898441.db2.gz HKIVUIJNQFUYRK-FPMFFAJLSA-N 1 0 320.393 1.691 20 5 DDBDRO Cn1ncc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)c1Cl ZINC000816610345 702124719 /nfs/dbraw/zinc/12/47/19/702124719.db2.gz HQGWPVLWJUACCI-UHFFFAOYSA-N 1 0 309.757 1.947 20 5 DDBDRO COC(=O)c1ccnc(N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000866209644 706649705 /nfs/dbraw/zinc/64/97/05/706649705.db2.gz UOGOAHRHDBXVSX-JQWIXIFHSA-N 1 0 320.349 1.307 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC000816953657 702237296 /nfs/dbraw/zinc/23/72/96/702237296.db2.gz LOOSPBQXZXQKGV-XHDPSFHLSA-N 1 0 318.377 1.437 20 5 DDBDRO O=C(Nc1cccc([N+](=O)[O-])c1Cl)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000841232120 702397458 /nfs/dbraw/zinc/39/74/58/702397458.db2.gz ASUNDWOOOWRWIX-DTORHVGOSA-N 1 0 310.741 1.931 20 5 DDBDRO C[NH+](C)C1(CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000841453892 702454670 /nfs/dbraw/zinc/45/46/70/702454670.db2.gz ZVGNIDIHUTZYPQ-UHFFFAOYSA-N 1 0 308.294 1.327 20 5 DDBDRO COCC[C@H](CO)[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866352135 706679314 /nfs/dbraw/zinc/67/93/14/706679314.db2.gz HMXYMAWPOYOEAD-GXFFZTMASA-N 1 0 300.330 1.652 20 5 DDBDRO CC[C@@H]([NH3+])CNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000841858627 702591402 /nfs/dbraw/zinc/59/14/02/702591402.db2.gz SJNKOQLZCWPLKD-SECBINFHSA-N 1 0 300.746 1.785 20 5 DDBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@]1(C)CCC(=O)N1 ZINC000866370218 706683320 /nfs/dbraw/zinc/68/33/20/706683320.db2.gz UKLAFXHASBFIMR-BONVTDFDSA-N 1 0 309.341 1.923 20 5 DDBDRO C[NH2+]C[C@H](C)c1noc(-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1 ZINC000842577479 702735618 /nfs/dbraw/zinc/73/56/18/702735618.db2.gz OJKQEZGPOZCVGW-ZETCQYMHSA-N 1 0 307.266 1.876 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@H]2c3ccccc3C[C@H]2O)cc1 ZINC000843063815 702811789 /nfs/dbraw/zinc/81/17/89/702811789.db2.gz AWROHLCULGRCMP-IKGGRYGDSA-N 1 0 314.341 1.876 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@H](O)Cc2ccccc2)c1 ZINC000843072078 702813437 /nfs/dbraw/zinc/81/34/37/702813437.db2.gz SYUKHSXFNMCOGR-SJORKVTESA-N 1 0 316.357 1.821 20 5 DDBDRO Cc1ccc([C@H](O)C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000843087318 702816060 /nfs/dbraw/zinc/81/60/60/702816060.db2.gz LPOPJZDHUXEJEF-ZIAGYGMSSA-N 1 0 306.318 1.853 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H](CO)CC(F)(F)F)c1 ZINC000843086733 702816149 /nfs/dbraw/zinc/81/61/49/702816149.db2.gz HNMZODYMYLALTI-KOLCDFICSA-N 1 0 308.256 1.531 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(-c2nc(CC3CC[NH2+]CC3)no2)n1 ZINC000843135359 702826510 /nfs/dbraw/zinc/82/65/10/702826510.db2.gz FURQPAGKQWVWMG-UHFFFAOYSA-N 1 0 306.326 1.403 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000843347034 702863775 /nfs/dbraw/zinc/86/37/75/702863775.db2.gz QZLCGXSFWYIWKF-GZMMTYOYSA-N 1 0 322.321 1.621 20 5 DDBDRO COC(=O)CC[C@H]([NH3+])C(=O)N1CCc2cc(C)c([N+](=O)[O-])cc21 ZINC000843495469 702893665 /nfs/dbraw/zinc/89/36/65/702893665.db2.gz SDCSDMYQQGYODU-NSHDSACASA-N 1 0 321.333 1.073 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N[C@H](C)C[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000843507792 702896864 /nfs/dbraw/zinc/89/68/64/702896864.db2.gz MMWUAZFQNXBDMJ-JGVFFNPUSA-N 1 0 310.310 1.667 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H](CCO)C2CC2)c1 ZINC000844319215 703012497 /nfs/dbraw/zinc/01/24/97/703012497.db2.gz VROHUSXBARKIHR-ZDUSSCGKSA-N 1 0 308.334 1.632 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(CCOc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000879571938 706722083 /nfs/dbraw/zinc/72/20/83/706722083.db2.gz USADZQFHIBHPLU-CZUORRHYSA-N 1 0 305.378 2.000 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(C[C@@H](O)c3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000879580630 706727190 /nfs/dbraw/zinc/72/71/90/706727190.db2.gz IPUKDFVUHYLSFV-VNQPRFMTSA-N 1 0 305.378 1.654 20 5 DDBDRO C[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N)[C@H]1CC[NH3+] ZINC000846694091 703318689 /nfs/dbraw/zinc/31/86/89/703318689.db2.gz MNEAGSKQPABJJK-HZMBPMFUSA-N 1 0 306.366 1.767 20 5 DDBDRO Nc1ccc(N2CCC[C@@H]([NH+]3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000848795508 703590648 /nfs/dbraw/zinc/59/06/48/703590648.db2.gz INTLVECDPUBMMJ-CQSZACIVSA-N 1 0 320.393 1.868 20 5 DDBDRO [NH3+]C1(CNS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CCCC1 ZINC000850590509 703738096 /nfs/dbraw/zinc/73/80/96/703738096.db2.gz MMOYUGCISZSDAX-UHFFFAOYSA-N 1 0 317.342 1.284 20 5 DDBDRO Cc1cc(C(=O)N[C@H]2CC[N@H+](CC(C)(C)O)C2)cc([N+](=O)[O-])c1 ZINC000869781406 703851213 /nfs/dbraw/zinc/85/12/13/703851213.db2.gz NQOQEWMTGNRHFX-ZDUSSCGKSA-N 1 0 321.377 1.478 20 5 DDBDRO C[C@H]([NH2+]CCN1C(=O)CN(C)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000852095813 703921893 /nfs/dbraw/zinc/92/18/93/703921893.db2.gz DMBQSXPGDCYDAE-JTQLQIEISA-N 1 0 306.322 1.139 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+](CCOCCO)C2CCC2)cc1 ZINC000852289832 703998133 /nfs/dbraw/zinc/99/81/33/703998133.db2.gz DHKVJGGSPAUNAN-MRXNPFEDSA-N 1 0 324.377 1.492 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)CN[C@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000818959296 704035508 /nfs/dbraw/zinc/03/55/08/704035508.db2.gz HQCBESFHOLHNNH-HRCADAONSA-N 1 0 305.378 1.845 20 5 DDBDRO CC1(C)COCCN1CC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819014636 704051529 /nfs/dbraw/zinc/05/15/29/704051529.db2.gz SDZIVVMVVNWRQL-HNNXBMFYSA-N 1 0 323.393 1.329 20 5 DDBDRO CC(C)(C)N1C[C@@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000819126068 704073112 /nfs/dbraw/zinc/07/31/12/704073112.db2.gz IAQNRBCJLKSHPQ-GXTWGEPZSA-N 1 0 321.377 1.617 20 5 DDBDRO C[C@H](CO[C@H]1CCOC1)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819148013 704076448 /nfs/dbraw/zinc/07/64/48/704076448.db2.gz OCRRIRUMYGWNQI-UGFHNGPFSA-N 1 0 310.350 1.412 20 5 DDBDRO CC1(C)OC[C@@H](C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])O1 ZINC000819156872 704077978 /nfs/dbraw/zinc/07/79/78/704077978.db2.gz ZPSPBSJNBXLTRJ-LLVKDONJSA-N 1 0 323.349 1.665 20 5 DDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2C[C@H](O)C23CCC3)c([N+](=O)[O-])c1 ZINC000852583052 704081575 /nfs/dbraw/zinc/08/15/75/704081575.db2.gz PYQRMVNTVZJWOI-OLZOCXBDSA-N 1 0 307.306 1.896 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@@H]2COC3(CCCC3)O2)cc1 ZINC000819204280 704086223 /nfs/dbraw/zinc/08/62/23/704086223.db2.gz BARJMTFKCSBWEQ-HUUCEWRRSA-N 1 0 322.361 1.904 20 5 DDBDRO O=C1C[C@H](C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CN1C1CC1 ZINC000819217486 704088738 /nfs/dbraw/zinc/08/87/38/704088738.db2.gz BMADLRAAUKBKRM-ABAIWWIYSA-N 1 0 319.361 1.229 20 5 DDBDRO COC(=O)[C@H]1C[C@@H]([N@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000852695837 704101456 /nfs/dbraw/zinc/10/14/56/704101456.db2.gz GYLQUSUNUYXAAK-YUTCNCBUSA-N 1 0 308.334 1.512 20 5 DDBDRO C[C@]1(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1(Cl)Cl ZINC000819346324 704111038 /nfs/dbraw/zinc/11/10/38/704111038.db2.gz FGJFBJDAPQAPJU-VHSXEESVSA-N 1 0 323.180 1.326 20 5 DDBDRO CCN(CCC[NH+](C)C)C(=O)[C@](C)(N)c1cccc([N+](=O)[O-])c1 ZINC000870927677 704171726 /nfs/dbraw/zinc/17/17/26/704171726.db2.gz AVZQEVKPRIMEJX-MRXNPFEDSA-N 1 0 322.409 1.569 20 5 DDBDRO COc1cc(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1[N+](=O)[O-] ZINC000870976111 704188101 /nfs/dbraw/zinc/18/81/01/704188101.db2.gz QDEPJCDIEDKISP-LMKPVCQUSA-N 1 0 319.361 1.864 20 5 DDBDRO C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])nc1Br)C1CC1 ZINC000853064642 704191303 /nfs/dbraw/zinc/19/13/03/704191303.db2.gz JVKOCKUBRMSBFY-MRVPVSSYSA-N 1 0 319.159 1.009 20 5 DDBDRO Cc1c(CO)cc([N+](=O)[O-])c(N(C)CC2C[NH+](C)C2)c1[N+](=O)[O-] ZINC000853825763 704322263 /nfs/dbraw/zinc/32/22/63/704322263.db2.gz UGQFWKHNIXQTKJ-UHFFFAOYSA-N 1 0 324.337 1.302 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(N2CCO[C@H](CCC[NH+](C)C)C2)n1 ZINC000853990304 704344548 /nfs/dbraw/zinc/34/45/48/704344548.db2.gz LBSQNFVVZXBHMG-CYBMUJFWSA-N 1 0 308.382 1.845 20 5 DDBDRO CC(C)[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC[NH2+]1 ZINC000856490170 704531108 /nfs/dbraw/zinc/53/11/08/704531108.db2.gz XGOIBQHOLVICQO-GFCCVEGCSA-N 1 0 310.329 1.386 20 5 DDBDRO C[C@@]1(NC(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)CC[NH2+]C1 ZINC000857768738 704623174 /nfs/dbraw/zinc/62/31/74/704623174.db2.gz XLFXMAKFXIOBDD-GFCCVEGCSA-N 1 0 315.276 1.435 20 5 DDBDRO CCn1ncc(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)n1 ZINC000858444785 704712024 /nfs/dbraw/zinc/71/20/24/704712024.db2.gz RDYKDIZRJVWWFE-QWHCGFSZSA-N 1 0 319.369 1.676 20 5 DDBDRO CCN(CC[NH3+])S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000858619536 704735685 /nfs/dbraw/zinc/73/56/85/704735685.db2.gz QGZLHCJAQDZVJJ-UHFFFAOYSA-N 1 0 321.786 1.526 20 5 DDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)C[C@H](C)[NH3+] ZINC000858642451 704738867 /nfs/dbraw/zinc/73/88/67/704738867.db2.gz LHYBSBBOOFOXRE-VIFPVBQESA-N 1 0 301.368 1.125 20 5 DDBDRO O=[N+]([O-])c1cccc2c1CCN(C[C@H](O)CC1(O)CCC1)C2 ZINC000859208956 704821603 /nfs/dbraw/zinc/82/16/03/704821603.db2.gz VABIJGZKLLMEAX-CYBMUJFWSA-N 1 0 306.362 1.619 20 5 DDBDRO Nc1ccc(-c2noc([C@H]3C[C@]34CC[NH2+]C4)n2)cc1[N+](=O)[O-] ZINC000822640150 704994403 /nfs/dbraw/zinc/99/44/03/704994403.db2.gz LRVGTDKCSJEYPF-OTYXRUKQSA-N 1 0 301.306 1.694 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(Cc2noc(C[C@H](C[NH3+])OC)n2)c1 ZINC000823088595 705136140 /nfs/dbraw/zinc/13/61/40/705136140.db2.gz LZZMJBWXUWELBU-LLVKDONJSA-N 1 0 322.321 1.093 20 5 DDBDRO CC(C)[C@H]1C[N@H+](C)CCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000823179356 705163036 /nfs/dbraw/zinc/16/30/36/705163036.db2.gz MBSPJRJIJYEQHA-CVEARBPZSA-N 1 0 307.394 1.900 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)n1 ZINC000874827015 705185511 /nfs/dbraw/zinc/18/55/11/705185511.db2.gz AGNBGIWHFWJHRN-MNOVXSKESA-N 1 0 307.354 1.120 20 5 DDBDRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000874827729 705186081 /nfs/dbraw/zinc/18/60/81/705186081.db2.gz SWYYQWWTDQFOBI-RBSFLKMASA-N 1 0 319.361 1.323 20 5 DDBDRO CNc1ccc(C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)cc1[N+](=O)[O-] ZINC000874848394 705202391 /nfs/dbraw/zinc/20/23/91/705202391.db2.gz SGBVGBZXBBYDNV-KGLIPLIRSA-N 1 0 318.377 1.945 20 5 DDBDRO COc1ccc(C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3C)cc1[N+](=O)[O-] ZINC000874848711 705202549 /nfs/dbraw/zinc/20/25/49/705202549.db2.gz GMDIGNFSLFCPRD-QWHCGFSZSA-N 1 0 319.361 1.912 20 5 DDBDRO CCOc1ccc(-c2nc(N3CC[NH2+]CC3)no2)cc1[N+](=O)[O-] ZINC000823321294 705207179 /nfs/dbraw/zinc/20/71/79/705207179.db2.gz XXGBYUNLEPYESD-UHFFFAOYSA-N 1 0 319.321 1.453 20 5 DDBDRO CN(C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000823513733 705258887 /nfs/dbraw/zinc/25/88/87/705258887.db2.gz OKKDJSORALNHKL-CQSZACIVSA-N 1 0 307.350 1.181 20 5 DDBDRO CO[C@H]1C[N@H+](C)[C@](C)(COC(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000861352438 705441508 /nfs/dbraw/zinc/44/15/08/705441508.db2.gz JDISQSIEPGTBPT-RISCZKNCSA-N 1 0 302.371 1.474 20 5 DDBDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000825471961 705677388 /nfs/dbraw/zinc/67/73/88/705677388.db2.gz FVZGOJPTJOZFHC-WFASDCNBSA-N 1 0 321.377 1.475 20 5 DDBDRO CN(CCCC[NH+](C)C)C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000826096068 705772309 /nfs/dbraw/zinc/77/23/09/705772309.db2.gz XFAFKJDHYZJRCJ-CQSZACIVSA-N 1 0 309.366 1.428 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+](C)CCN1CCOCC1 ZINC000876680816 705816237 /nfs/dbraw/zinc/81/62/37/705816237.db2.gz JOEVMLOBAHTFQW-UHFFFAOYSA-N 1 0 307.394 1.976 20 5 DDBDRO C[C@H]1CCCN(CC[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000876931311 705929231 /nfs/dbraw/zinc/92/92/31/705929231.db2.gz LITSSAIEPWGUCU-HSBZDZAISA-N 1 0 307.398 1.816 20 5 DDBDRO Cc1cc(C(=O)N2CC[C@H]3[C@H](CC[N@H+]3C)C2)c(N)c([N+](=O)[O-])c1 ZINC000827312340 705973425 /nfs/dbraw/zinc/97/34/25/705973425.db2.gz UNMORWJSMQSIBG-YPMHNXCESA-N 1 0 318.377 1.652 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(F)ccc3[N+](=O)[O-])CC[C@@H]21 ZINC000827331139 705977581 /nfs/dbraw/zinc/97/75/81/705977581.db2.gz WSHUUTLNZSDACW-MFKMUULPSA-N 1 0 307.325 1.900 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1C2CCC1(C[NH3+])CC2 ZINC000877192967 706012753 /nfs/dbraw/zinc/01/27/53/706012753.db2.gz VEJZKOGJZYNHHS-UHFFFAOYSA-N 1 0 305.334 1.699 20 5 DDBDRO CCO[C@H]1COCC[C@@H]1[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877344988 706073296 /nfs/dbraw/zinc/07/32/96/706073296.db2.gz SRUQEPWLEGRFJT-OQSWDALSSA-N 1 0 310.354 1.278 20 5 DDBDRO CO[C@H]1COCC[C@@H]1C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877564218 706143630 /nfs/dbraw/zinc/14/36/30/706143630.db2.gz VPBNGBHOSIQEBM-NPZBDFSRSA-N 1 0 310.354 1.136 20 5 DDBDRO Cc1ccc(O[C@H]2CCN(Cc3cn(C)nc3[N+](=O)[O-])C2)nc1 ZINC000877657199 706172021 /nfs/dbraw/zinc/17/20/21/706172021.db2.gz ARPZARQTSYHPGZ-ZDUSSCGKSA-N 1 0 317.349 1.685 20 5 DDBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000829449527 706334968 /nfs/dbraw/zinc/33/49/68/706334968.db2.gz CEDNZBPSZOMRCU-RBSFLKMASA-N 1 0 303.362 1.909 20 5 DDBDRO C[NH+](C)[C@@H]1CCCN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])C1 ZINC000865129460 706358891 /nfs/dbraw/zinc/35/88/91/706358891.db2.gz DZNXRIUOXNPHBH-GFCCVEGCSA-N 1 0 309.341 1.829 20 5 DDBDRO O=[N+]([O-])c1cc(CO)c(N2CC[C@@H]([NH+]3CCCC3)C2)cc1F ZINC000865502238 706447812 /nfs/dbraw/zinc/44/78/12/706447812.db2.gz HUTINWOOMCFNPD-GFCCVEGCSA-N 1 0 309.341 1.901 20 5 DDBDRO C[N@@H+]1CC[C@@]2(CCN(c3cc(F)c([N+](=O)[O-])cc3CO)C2)C1 ZINC000865827388 706538263 /nfs/dbraw/zinc/53/82/63/706538263.db2.gz JUVAAIWUGLIJHB-OAHLLOKOSA-N 1 0 309.341 1.758 20 5 DDBDRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000880134674 706886390 /nfs/dbraw/zinc/88/63/90/706886390.db2.gz OIYAJPRLQNJLJW-GJZGRUSLSA-N 1 0 318.377 1.702 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@]1(c2ccccc2)C[C@@H](O)C1 ZINC000880222578 706912823 /nfs/dbraw/zinc/91/28/23/706912823.db2.gz XSUHTDMGNJEIOL-FZNQNYSPSA-N 1 0 316.361 1.740 20 5 DDBDRO CC[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H](CO)c1ccccc1 ZINC000880460704 706981923 /nfs/dbraw/zinc/98/19/23/706981923.db2.gz BNSOSEYWAZWBGQ-HNNXBMFYSA-N 1 0 304.350 1.847 20 5 DDBDRO C[NH2+]C[C@@H]1CCCN1C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000832824824 706992678 /nfs/dbraw/zinc/99/26/78/706992678.db2.gz UMACMHQGAHEGKF-ZDUSSCGKSA-N 1 0 317.349 1.155 20 5 DDBDRO Cc1c(C(=O)N[C@H](C)[C@@H](C)[NH3+])cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000834821138 707129711 /nfs/dbraw/zinc/12/97/11/707129711.db2.gz KTBYEAMSVYRAHC-RKDXNWHRSA-N 1 0 310.310 1.585 20 5 DDBDRO O=C(C[NH2+][C@]12CCC[C@H]1OCC2)Nc1ccccc1[N+](=O)[O-] ZINC000872313413 707377173 /nfs/dbraw/zinc/37/71/73/707377173.db2.gz LPLIHWRXSLGEHT-HIFRSBDPSA-N 1 0 305.334 1.835 20 5 DDBDRO CC(=O)c1ccc(N2C[C@@H]3CCC[N@@H+]3C[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000872757692 707587346 /nfs/dbraw/zinc/58/73/46/707587346.db2.gz FNUAAPNAHQSWOG-UONOGXRCSA-N 1 0 319.361 1.443 20 5 DDBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000883893570 708077295 /nfs/dbraw/zinc/07/72/95/708077295.db2.gz NRNGQFXMOGTTDZ-CYBMUJFWSA-N 1 0 306.366 1.830 20 5 DDBDRO CC[N@@H+]1CCC[C@@H]1CNC(=S)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000884004341 708098888 /nfs/dbraw/zinc/09/88/88/708098888.db2.gz SZJNDARHAXPXCX-LLVKDONJSA-N 1 0 323.422 1.948 20 5 DDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])[C@@]12CC[N@H+](C1)CCC2 ZINC000896694028 708122055 /nfs/dbraw/zinc/12/20/55/708122055.db2.gz RDZSATPWJFSQLH-INIZCTEOSA-N 1 0 303.362 1.739 20 5 DDBDRO Cn1nc(C2CC2)cc1C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000897224325 708260930 /nfs/dbraw/zinc/26/09/30/708260930.db2.gz NYHMTIKOPDOYJQ-UHFFFAOYSA-N 1 0 316.365 1.896 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@](C)(O)CC[NH+](C)C)c1C ZINC000897439753 708330350 /nfs/dbraw/zinc/33/03/50/708330350.db2.gz FLYKLGHWHGLPSZ-MRXNPFEDSA-N 1 0 323.393 1.644 20 5 DDBDRO CC(C)(CCC(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1)[N+](=O)[O-] ZINC000885888707 708655304 /nfs/dbraw/zinc/65/53/04/708655304.db2.gz OBMICPHHFMYOQY-ZDUSSCGKSA-N 1 0 313.398 1.191 20 5 DDBDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1Cc1cccnc1[N+](=O)[O-] ZINC000886176598 708710194 /nfs/dbraw/zinc/71/01/94/708710194.db2.gz HAIUUMGEKVZOPI-ZDUSSCGKSA-N 1 0 320.393 1.675 20 5 DDBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CC([NH+]2CCCC2)C1 ZINC000898614397 708813279 /nfs/dbraw/zinc/81/32/79/708813279.db2.gz RZSJELMOQRWGDY-UHFFFAOYSA-N 1 0 321.402 1.994 20 5 DDBDRO O=C(COc1ccccc1[N+](=O)[O-])N1CC([NH+]2CCCC2)C1 ZINC000898615719 708813695 /nfs/dbraw/zinc/81/36/95/708813695.db2.gz ATHFCQOSILUMAK-UHFFFAOYSA-N 1 0 305.334 1.280 20 5 DDBDRO C[C@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000912814183 713098988 /nfs/dbraw/zinc/09/89/88/713098988.db2.gz TUNDFIFBOJLZSO-TZMCWYRMSA-N 1 0 323.397 1.370 20 5 DDBDRO C[NH+](C)CCn1nccc1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000900287879 709522218 /nfs/dbraw/zinc/52/22/18/709522218.db2.gz OKOACQJQQIWOGL-UHFFFAOYSA-N 1 0 317.349 1.283 20 5 DDBDRO O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CCC([NH+]2CCC2)CC1 ZINC000912870918 713112224 /nfs/dbraw/zinc/11/22/24/713112224.db2.gz KJHMMKNZLORDEC-UHFFFAOYSA-N 1 0 321.352 1.973 20 5 DDBDRO CC[N@@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])cnc2C)[C@@H](C)C1 ZINC000910291696 709870961 /nfs/dbraw/zinc/87/09/61/709870961.db2.gz DUHQUBQGQZAVEW-NSHDSACASA-N 1 0 306.366 1.855 20 5 DDBDRO CN(C(=O)COC1CC[NH+](C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000901713082 710129712 /nfs/dbraw/zinc/12/97/12/710129712.db2.gz VYZPNTJUMKNISD-UHFFFAOYSA-N 1 0 307.350 1.668 20 5 DDBDRO CCN(C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1)[C@H]1CC[NH2+]C1 ZINC000891399217 710185118 /nfs/dbraw/zinc/18/51/18/710185118.db2.gz OCSGBZMSEJVQOR-LBPRGKRZSA-N 1 0 322.365 1.497 20 5 DDBDRO Cn1c2ccccc2c(NC[C@H]2CCC[N@@H+]2C)c([N+](=O)[O-])c1=O ZINC000892007844 710351743 /nfs/dbraw/zinc/35/17/43/710351743.db2.gz NMFSBDGZPSIMNM-LLVKDONJSA-N 1 0 316.361 1.953 20 5 DDBDRO Cc1ccc(CNC(=O)N[C@@H]2CC[NH2+]C23CCC3)cc1[N+](=O)[O-] ZINC000892274472 710408385 /nfs/dbraw/zinc/40/83/85/710408385.db2.gz SETXXRKNXMTLII-CQSZACIVSA-N 1 0 318.377 1.987 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@H]2CCC3(C[C@@H]2F)OCCO3)c1 ZINC000893133130 710559720 /nfs/dbraw/zinc/55/97/20/710559720.db2.gz AZIJIQOHVFYNHM-RYUDHWBXSA-N 1 0 314.317 1.015 20 5 DDBDRO C[NH+]1C[C@@]2(C)CN(C(=O)Cc3ccccc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000913295450 713193955 /nfs/dbraw/zinc/19/39/55/713193955.db2.gz UBFYWQAANJSOGT-IRXDYDNUSA-N 1 0 317.389 1.938 20 5 DDBDRO C[C@H]1[C@@H](NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC[N@@H+]1C ZINC000928444034 713198481 /nfs/dbraw/zinc/19/84/81/713198481.db2.gz IJXRACWCVXEBRK-CABZTGNLSA-N 1 0 311.313 1.322 20 5 DDBDRO C[C@](C[NH3+])(NC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000911803351 711001618 /nfs/dbraw/zinc/00/16/18/711001618.db2.gz QXHLGPWVOCVAOM-OFQRWUPVSA-N 1 0 303.362 1.942 20 5 DDBDRO C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000911826921 711017748 /nfs/dbraw/zinc/01/77/48/711017748.db2.gz USWBERFPHHKJGT-QZKOUSHUSA-N 1 0 303.362 1.894 20 5 DDBDRO COc1ccc(C[NH2+][C@H]2CCO[C@@]23CCOC3)cc1[N+](=O)[O-] ZINC000903083670 711027255 /nfs/dbraw/zinc/02/72/55/711027255.db2.gz LLNXLEMFCPJCBS-LSDHHAIUSA-N 1 0 308.334 1.641 20 5 DDBDRO O=C(NC1CC[NH+](C2CCOCC2)CC1)c1ccc([N+](=O)[O-])o1 ZINC000912354544 711289861 /nfs/dbraw/zinc/28/98/61/711289861.db2.gz ZWXQAGYCNWNJNA-UHFFFAOYSA-N 1 0 323.349 1.561 20 5 DDBDRO COCC[C@@H]1C[NH2+]CCN1C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000904272217 711421246 /nfs/dbraw/zinc/42/12/46/711421246.db2.gz BEOBXHMBXRMYIP-CYBMUJFWSA-N 1 0 322.365 1.745 20 5 DDBDRO Cn1cc(C[N@@H+]2C[C@H]3C[C@@]3(O)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000895645426 711567699 /nfs/dbraw/zinc/56/76/99/711567699.db2.gz BYDIDGHSTNMBGT-CZUORRHYSA-N 1 0 314.345 1.562 20 5 DDBDRO COc1ccc2ncc([N+](=O)[O-])c(NC[C@H]3CC[N@@H+]3C)c2c1 ZINC000895768126 711600692 /nfs/dbraw/zinc/60/06/92/711600692.db2.gz WUCDQCWBOVWUCZ-SNVBAGLBSA-N 1 0 302.334 1.690 20 5 DDBDRO C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)[C@H]1C[N@H+](C)CCN1C ZINC000896570058 711754974 /nfs/dbraw/zinc/75/49/74/711754974.db2.gz XCFKTFONGULAJX-IINYFYTJSA-N 1 0 324.356 1.098 20 5 DDBDRO O=C(NC12CC[NH+](CC1)C2)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000913632213 713272836 /nfs/dbraw/zinc/27/28/36/713272836.db2.gz UOPLLSLHRCOAAC-UHFFFAOYSA-N 1 0 312.329 1.721 20 5 DDBDRO C[NH+](C)CC1(O)CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000913682967 713280405 /nfs/dbraw/zinc/28/04/05/713280405.db2.gz GUANUOILPQSXPW-UHFFFAOYSA-N 1 0 307.350 1.124 20 5 DDBDRO O=[N+]([O-])c1cccc(CC[NH2+]C[C@H](O)CC2(O)CCCC2)c1 ZINC000905191664 711964426 /nfs/dbraw/zinc/96/44/26/711964426.db2.gz VMBYQPRBXWJDGG-OAHLLOKOSA-N 1 0 308.378 1.783 20 5 DDBDRO O=[N+]([O-])CC[NH2+]C[C@@H](CO)Cc1ccc(C(F)(F)F)cc1 ZINC000905341959 712008165 /nfs/dbraw/zinc/00/81/65/712008165.db2.gz RRYJCNJUGLNVHO-NSHDSACASA-N 1 0 306.284 1.723 20 5 DDBDRO CC1(C)C[C@@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CO1 ZINC000905698018 712122857 /nfs/dbraw/zinc/12/28/57/712122857.db2.gz DPMQNCILNMCITB-YPMHNXCESA-N 1 0 310.350 1.492 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@@H]2Cc3ccccc3[C@H]2O)cc1 ZINC000905706095 712126059 /nfs/dbraw/zinc/12/60/59/712126059.db2.gz DRPUGEYDPSWWME-IXDOHACOSA-N 1 0 314.341 1.876 20 5 DDBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)C12CC[NH+](CC1)C2 ZINC000908125607 712693588 /nfs/dbraw/zinc/69/35/88/712693588.db2.gz SFUPOLMRBPQASF-UHFFFAOYSA-N 1 0 303.362 1.692 20 5 DDBDRO COCC[N@H+](C)CCCNc1nc2ccccn2c1[N+](=O)[O-] ZINC000915212686 713412873 /nfs/dbraw/zinc/41/28/73/713412873.db2.gz KXEFHESWALLSIM-UHFFFAOYSA-N 1 0 307.354 1.623 20 5 DDBDRO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CCN1c1cc[nH+]cc1 ZINC000915283395 713415353 /nfs/dbraw/zinc/41/53/53/713415353.db2.gz RPUQZWPINSZHNF-NSHDSACASA-N 1 0 315.333 1.669 20 5 DDBDRO C[N@H+](CCNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000921204311 713721247 /nfs/dbraw/zinc/72/12/47/713721247.db2.gz YIASJXWGIQYKAS-UHFFFAOYSA-N 1 0 317.349 1.155 20 5 DDBDRO Cc1ccc([C@@H](C)NC(=O)NC[C@@H]2CC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000921336894 713738324 /nfs/dbraw/zinc/73/83/24/713738324.db2.gz ZLTQDTUEILAPKS-YPMHNXCESA-N 1 0 306.366 1.968 20 5 DDBDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CC[N+](=O)[O-])C(C)(C)C1 ZINC000930346491 713810238 /nfs/dbraw/zinc/81/02/38/713810238.db2.gz FWPRDKRFGIIOGG-LLVKDONJSA-N 1 0 301.387 1.888 20 5 DDBDRO C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@@H]1[NH2+]CC[N+](=O)[O-] ZINC000930477340 713844737 /nfs/dbraw/zinc/84/47/37/713844737.db2.gz PGVIPXRROCIAPY-GRYCIOLGSA-N 1 0 301.387 1.887 20 5 DDBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCN2C2CCOCC2)cc1 ZINC000922951104 714196288 /nfs/dbraw/zinc/19/62/88/714196288.db2.gz JMZRZJLKSXTHNR-INIZCTEOSA-N 1 0 305.378 1.938 20 5 DDBDRO CCCN(C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CC[NH2+]C1 ZINC000923287726 714298190 /nfs/dbraw/zinc/29/81/90/714298190.db2.gz VYEPHGZWBAPTHU-GJZGRUSLSA-N 1 0 323.393 1.408 20 5 DDBDRO C[C@@H]1COC[C@H]1[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000932493417 714345770 /nfs/dbraw/zinc/34/57/70/714345770.db2.gz FYFRRPOIRYJCHB-ZWNOBZJWSA-N 1 0 305.334 1.108 20 5 DDBDRO CC[C@@H](c1cccc([N+](=O)[O-])c1)N1C(=O)N[C@H](C[NH+](C)C)C1=O ZINC000924774251 714661224 /nfs/dbraw/zinc/66/12/24/714661224.db2.gz AVIPKOAPCMMIGM-OLZOCXBDSA-N 1 0 320.349 1.528 20 5 DDBDRO O=[N+]([O-])c1cccc(F)c1CN1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000934258283 714777521 /nfs/dbraw/zinc/77/75/21/714777521.db2.gz CMKGNSJLIGXJAX-HOTGVXAUSA-N 1 0 323.368 1.765 20 5 DDBDRO O=[N+]([O-])c1cccc(OCC[NH2+][C@@H]2CCOC23CCOCC3)c1 ZINC000934407765 714813398 /nfs/dbraw/zinc/81/33/98/714813398.db2.gz LFXRJZRWKIFGCT-OAHLLOKOSA-N 1 0 322.361 1.901 20 5 DDBDRO C[N@@H+]1CC[C@@H]1CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000925408922 714846150 /nfs/dbraw/zinc/84/61/50/714846150.db2.gz MQODXDMWPYNNOP-CQSZACIVSA-N 1 0 318.377 1.973 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000935978268 715141271 /nfs/dbraw/zinc/14/12/71/715141271.db2.gz VZNJIIHDOOQQRN-YPMHNXCESA-N 1 0 321.381 1.185 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N(C)CC1CC[NH+](C)CC1 ZINC001165040961 721931181 /nfs/dbraw/zinc/93/11/81/721931181.db2.gz WLEZCMYAVKUXCH-UHFFFAOYSA-N 1 0 322.365 1.554 20 5 DDBDRO [NH3+]Cc1nn(-c2c[n+]([O-])c(Cl)cc2[N+](=O)[O-])c2ccccc12 ZINC001167696385 736267814 /nfs/dbraw/zinc/26/78/14/736267814.db2.gz YVTGYGOQTNRANX-UHFFFAOYSA-N 1 0 319.708 1.679 20 5 DDBDRO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3[N+](=O)[O-])C[C@H]21)C1CCC1 ZINC001025646196 736807686 /nfs/dbraw/zinc/80/76/86/736807686.db2.gz FMFUJIJPGHWJGE-FOLVSLTJSA-N 1 0 315.373 1.941 20 5 DDBDRO Cc1ccc(C)c(OCC[NH2+]CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC001126943993 742944031 /nfs/dbraw/zinc/94/40/31/742944031.db2.gz ZGIVFGZBZUUKJS-ZIAGYGMSSA-N 1 0 321.377 1.053 20 5 DDBDRO Cc1cc([N+](=O)[O-])cnc1NC1(CNC(=O)CC[NH+](C)C)CC1 ZINC001110325510 743774162 /nfs/dbraw/zinc/77/41/62/743774162.db2.gz WEKDKKRZNPFZAE-UHFFFAOYSA-N 1 0 321.381 1.311 20 5 DDBDRO CCn1c([C@H](C)[N+](=O)[O-])nnc1N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC001121698902 744859921 /nfs/dbraw/zinc/85/99/21/744859921.db2.gz LUVJVWAONGESML-SDDRHHMPSA-N 1 0 308.386 1.166 20 5 DDBDRO Cc1[nH]c(C)c(Cn2nc(-c3ccccc3[N+](=O)[O-])oc2=O)[nH+]1 ZINC001189276385 744868138 /nfs/dbraw/zinc/86/81/38/744868138.db2.gz LZAAXCPEXIEUOK-UHFFFAOYSA-N 1 0 315.289 1.800 20 5 DDBDRO CNC(=O)N[C@H]1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC001197759198 747248266 /nfs/dbraw/zinc/24/82/66/747248266.db2.gz OTLFCZBNPTZINZ-LBPRGKRZSA-N 1 0 322.365 1.367 20 5 DDBDRO CC[N@H+](C)[C@H]1CCN(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC001198872654 747642185 /nfs/dbraw/zinc/64/21/85/747642185.db2.gz QYVFUANWQYDFHN-AWEZNQCLSA-N 1 0 320.393 1.868 20 5 DDBDRO CCCCC(=O)N1CCC([NH2+]Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC001199359378 747810491 /nfs/dbraw/zinc/81/04/91/747810491.db2.gz GIKXDEGKOJNSQG-UHFFFAOYSA-N 1 0 323.397 1.599 20 5 DDBDRO CCN(CCNc1ncc([N+](=O)[O-])cc1C)C(=O)CC[NH+](C)C ZINC001106946264 748215103 /nfs/dbraw/zinc/21/51/03/748215103.db2.gz DJGVPGFUWKIIGN-UHFFFAOYSA-N 1 0 323.397 1.510 20 5 DDBDRO COC(=O)COc1ccc(C[NH2+]CCCCO)cc1[N+](=O)[O-] ZINC001202213611 748714339 /nfs/dbraw/zinc/71/43/39/748714339.db2.gz ONAUHLIJZUYKAE-UHFFFAOYSA-N 1 0 312.322 1.009 20 5 DDBDRO O=C(NCC1=CCN(Cc2nccs2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001000669708 762075577 /nfs/dbraw/zinc/07/55/77/762075577.db2.gz KIUUNNJVLVFZNJ-VXGBXAGGSA-N 1 0 322.390 1.057 20 5 DDBDRO [NH3+]Cc1cccc(-c2nnn([C@H]3CC[C@@H](C[N+](=O)[O-])C3)n2)c1 ZINC001168979192 762148100 /nfs/dbraw/zinc/14/81/00/762148100.db2.gz WZTWBBGHSASIQR-YPMHNXCESA-N 1 0 302.338 1.417 20 5 DDBDRO [NH3+]Cc1cccc(-c2nnn([C@H]3CC[C@H](C[N+](=O)[O-])C3)n2)c1 ZINC001168979189 762148111 /nfs/dbraw/zinc/14/81/11/762148111.db2.gz WZTWBBGHSASIQR-AAEUAGOBSA-N 1 0 302.338 1.417 20 5 DDBDRO CS(=O)(=O)c1ccc(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)cc1 ZINC001168967330 762158626 /nfs/dbraw/zinc/15/86/26/762158626.db2.gz OQPLDBCIVCXQQH-STQMWFEESA-N 1 0 312.391 1.625 20 5 DDBDRO NC1(c2cccnc2)CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168992059 762165623 /nfs/dbraw/zinc/16/56/23/762165623.db2.gz JFHAJNCAOBBSHF-UKRRQHHQSA-N 1 0 304.394 1.777 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCN(c3ccc(O)cc3)CC2)C1 ZINC001169008064 762175864 /nfs/dbraw/zinc/17/58/64/762175864.db2.gz RJGWJXYPLVZFFO-HIFRSBDPSA-N 1 0 305.378 1.960 20 5 DDBDRO C[N@H+](C1CN(C(=O)OC(C)(C)C)C1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169038238 762193667 /nfs/dbraw/zinc/19/36/67/762193667.db2.gz XGUXSHACXFZCFQ-VXGBXAGGSA-N 1 0 313.398 1.983 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CC[C@@H](Oc3ncc(F)cn3)C2)C1 ZINC001169054388 762210315 /nfs/dbraw/zinc/21/03/15/762210315.db2.gz LTEJMGNVMCYJCB-KGYLQXTDSA-N 1 0 310.329 1.514 20 5 DDBDRO COc1nc(C)nc(-n2ncc3c2cccc3C[NH3+])c1[N+](=O)[O-] ZINC001169193690 762276024 /nfs/dbraw/zinc/27/60/24/762276024.db2.gz WWZXJVYKEWJNIC-UHFFFAOYSA-N 1 0 314.305 1.499 20 5 DDBDRO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001086082757 760941855 /nfs/dbraw/zinc/94/18/55/760941855.db2.gz CLPOAHRNWIBLGH-LXTVHRRPSA-N 1 0 303.362 1.336 20 5 DDBDRO Cc1csc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)n1 ZINC001086083211 760943272 /nfs/dbraw/zinc/94/32/72/760943272.db2.gz QUHXRIIMRORRRN-WRWGMCAJSA-N 1 0 324.406 1.101 20 5 DDBDRO Cc1ncsc1C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001086363249 761492844 /nfs/dbraw/zinc/49/28/44/761492844.db2.gz JXAWRZAUIWPMJK-DDHJBXDOSA-N 1 0 324.406 1.101 20 5 DDBDRO Cc1cc(NCCCN(C)C(=O)CC[NH+](C)C)ncc1[N+](=O)[O-] ZINC001109616836 763881198 /nfs/dbraw/zinc/88/11/98/763881198.db2.gz PRUSNTMUZHNSHK-UHFFFAOYSA-N 1 0 323.397 1.510 20 5 DDBDRO COc1ccc(C[C@H](C)[N@@H+]2CCOC[C@H](O)C2)c([N+](=O)[O-])c1 ZINC001170334099 766256855 /nfs/dbraw/zinc/25/68/55/766256855.db2.gz BLDCXUKLPVYLEM-WCQYABFASA-N 1 0 310.350 1.228 20 5 DDBDRO COc1ccc(C[C@H](C)[NH2+][C@H](C(N)=O)C(C)C)c([N+](=O)[O-])c1 ZINC001170310424 766259322 /nfs/dbraw/zinc/25/93/22/766259322.db2.gz VSIDSFNVGLBNJO-HZMBPMFUSA-N 1 0 309.366 1.634 20 5 DDBDRO COc1ccc(C[C@@H](C)[NH+]2CC(C(=O)N(C)C)C2)c([N+](=O)[O-])c1 ZINC001170347508 766278250 /nfs/dbraw/zinc/27/82/50/766278250.db2.gz RPAFMGUFDIJBQL-LLVKDONJSA-N 1 0 321.377 1.554 20 5 DDBDRO COc1nc(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])co1 ZINC001131920945 768490355 /nfs/dbraw/zinc/49/03/55/768490355.db2.gz QVDUOMSSJKFQEU-UHFFFAOYSA-N 1 0 320.305 1.111 20 5 DDBDRO C[NH+](C)C1(CNC(=O)c2cnc(N)c([N+](=O)[O-])c2)CCCCC1 ZINC001135268519 771420323 /nfs/dbraw/zinc/42/03/23/771420323.db2.gz NRCZGZFLVPTABK-UHFFFAOYSA-N 1 0 321.381 1.566 20 5 DDBDRO CCC[N@@H+]1CC[C@@H](NC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)C1 ZINC001148757055 773594589 /nfs/dbraw/zinc/59/45/89/773594589.db2.gz DHJNYZBPHUSARY-SSDOTTSWSA-N 1 0 301.734 1.185 20 5 DDBDRO CN1CCO[C@@H](C[NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172895216 776928284 /nfs/dbraw/zinc/92/82/84/776928284.db2.gz AYIGQSIEDYMMOK-RDJZCZTQSA-N 1 0 319.405 1.762 20 5 DDBDRO CN1CCOC[C@@H]1C[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172913776 776929127 /nfs/dbraw/zinc/92/91/27/776929127.db2.gz ZEUJIWFDLCWBKR-WBVHZDCISA-N 1 0 319.405 1.762 20 5 DDBDRO C[C@@H](O)C[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173007653 776960049 /nfs/dbraw/zinc/96/00/49/776960049.db2.gz WMTJHPRYBFVQOA-SECBINFHSA-N 1 0 315.320 1.812 20 5 DDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N(c1ncccn1)C1C[NH2+]C1 ZINC001173233360 777064014 /nfs/dbraw/zinc/06/40/14/777064014.db2.gz VSQLLOIWKOYESO-GFCCVEGCSA-N 1 0 313.361 1.794 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(NCCN(C)C(=O)CC[NH+](C)C)c1 ZINC001101926894 777688586 /nfs/dbraw/zinc/68/85/86/777688586.db2.gz CYYDXRNKFVLGHN-UHFFFAOYSA-N 1 0 308.382 1.725 20 5 DDBDRO O=C(Cn1ccnc1)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001177405896 778582626 /nfs/dbraw/zinc/58/26/26/778582626.db2.gz RKSKXWSXGLYEGS-UHFFFAOYSA-N 1 0 317.349 1.087 20 5 DDBDRO CC[C@@]1(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)CC[NH2+]C1 ZINC001118202342 781059519 /nfs/dbraw/zinc/05/95/19/781059519.db2.gz RQERLLAEMGJXRM-CQSZACIVSA-N 1 0 303.322 1.799 20 5 DDBDRO O=C([C@@H]1CC[C@@H](C2CC2)[NH2+]1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001118272630 781081010 /nfs/dbraw/zinc/08/10/10/781081010.db2.gz DGDMBFQJBKIMAH-GJZGRUSLSA-N 1 0 301.346 1.968 20 5 DDBDRO CC(=O)N1CCC[C@H](C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C1 ZINC001119301650 781398998 /nfs/dbraw/zinc/39/89/98/781398998.db2.gz GLIFXJSNGKHQSL-IYXRBSQSSA-N 1 0 321.381 1.343 20 5 DDBDRO COc1ccc(C(=O)N(CC[NH3+])CC(F)(F)F)cc1[N+](=O)[O-] ZINC001119360931 781419915 /nfs/dbraw/zinc/41/99/15/781419915.db2.gz CCUXQMGFIRYXGJ-UHFFFAOYSA-N 1 0 321.255 1.567 20 5 DDBDRO CN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)Cc1ccoc1 ZINC001266681948 836659437 /nfs/dbraw/zinc/65/94/37/836659437.db2.gz JZBWRFTUFSVOJC-UHFFFAOYSA-N 1 0 317.345 1.979 20 5 DDBDRO CN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)COC(C)(C)C ZINC001267365320 837918768 /nfs/dbraw/zinc/91/87/68/837918768.db2.gz ULYYACYOHHISLX-UHFFFAOYSA-N 1 0 323.393 1.958 20 5 DDBDRO CN(CCC[NH2+]Cc1cc(C2CC2)no1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001268790110 840814783 /nfs/dbraw/zinc/81/47/83/840814783.db2.gz BGLNNRYHUAXXGI-TZMCWYRMSA-N 1 0 322.365 1.155 20 5 DDBDRO O=C(NCC1([NH2+]Cc2ccc(Cl)cc2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001269411720 841621018 /nfs/dbraw/zinc/62/10/18/841621018.db2.gz QSMGJYFQEZUECP-CHWSQXEVSA-N 1 0 323.780 1.744 20 5 DDBDRO CC(C)(C)OC(=O)N1CCOC[C@H](OCC[N+](C)(C)C)C1 ZINC001224771326 845625731 /nfs/dbraw/zinc/62/57/31/845625731.db2.gz JWDQVEQMWXTIFN-CYBMUJFWSA-N 1 0 303.423 1.345 20 5 DDBDRO C[C@@H]1C[NH2+]CCC[C@H]1CNc1ncc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001155022838 861654136 /nfs/dbraw/zinc/65/41/36/861654136.db2.gz BFZRALFFYAFYDD-ZJUUUORDSA-N 1 0 309.326 1.946 20 5 DDBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1-n1cncc1C1CC[NH2+]CC1 ZINC001155057255 861689749 /nfs/dbraw/zinc/68/97/49/861689749.db2.gz BSEKVABLYQKCFX-UHFFFAOYSA-N 1 0 303.322 1.189 20 5 DDBDRO COC(=O)[C@H]([NH3+])C1CCN(c2ncc(C)cc2[N+](=O)[O-])CC1 ZINC001155154299 861778603 /nfs/dbraw/zinc/77/86/03/861778603.db2.gz MLKXGYJCZNBFDP-GFCCVEGCSA-N 1 0 308.338 1.015 20 5 DDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCOCCCO)n1 ZINC000353980026 847947469 /nfs/dbraw/zinc/94/74/69/847947469.db2.gz TVOXKNLNGSWIHE-QWHCGFSZSA-N 1 0 312.370 1.264 20 5 DDBDRO CCOC1(OCC)CC[NH2+]C[C@@H]1Nc1nccc(C)c1[N+](=O)[O-] ZINC001155227525 861872589 /nfs/dbraw/zinc/87/25/89/861872589.db2.gz OTDIKKMDKAIOJB-LBPRGKRZSA-N 1 0 324.381 1.841 20 5 DDBDRO COc1nc(N2C[C@@H]([NH3+])Cc3ccccc32)ncc1[N+](=O)[O-] ZINC001155297635 861944835 /nfs/dbraw/zinc/94/48/35/861944835.db2.gz GJJBALLKERDDFE-JTQLQIEISA-N 1 0 301.306 1.415 20 5 DDBDRO [NH3+][C@@H]1Cc2ccccc2N(c2cc([N+](=O)[O-])cc(Cl)[n+]2[O-])C1 ZINC001155300968 861947183 /nfs/dbraw/zinc/94/71/83/861947183.db2.gz YTMVWDKURBFAMS-SNVBAGLBSA-N 1 0 320.736 1.903 20 5 DDBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001150119814 862100187 /nfs/dbraw/zinc/10/01/87/862100187.db2.gz LJLLJXDRMCAQIV-XPTSAGLGSA-N 1 0 304.350 1.390 20 5 DDBDRO O=[N+]([O-])c1ccc2c(ccnc2NC[C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)c1 ZINC001155484263 862146515 /nfs/dbraw/zinc/14/65/15/862146515.db2.gz GCSVGNRLZGKOLK-KCPJHIHWSA-N 1 0 314.345 1.789 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2CC[C@@H]3C[NH2+]C[C@@H]32)n1 ZINC001155592216 862268302 /nfs/dbraw/zinc/26/83/02/862268302.db2.gz NPDOPYBQFYEJHD-UTLUCORTSA-N 1 0 306.322 1.186 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])c(N[C@@H]2CCO[C@]3(CC[NH2+]C3)C2)n1 ZINC001155623638 862307204 /nfs/dbraw/zinc/30/72/04/862307204.db2.gz UGAWNJKPNUCEDZ-IUODEOHRSA-N 1 0 306.366 1.930 20 5 DDBDRO COc1cnc(N[C@H]2CCCC[C@@]23C[NH2+]CCO3)c([N+](=O)[O-])c1 ZINC001155826375 862481115 /nfs/dbraw/zinc/48/11/15/862481115.db2.gz HZYCBUMMZDYSPK-DZGCQCFKSA-N 1 0 322.365 1.712 20 5 DDBDRO O=[N+]([O-])c1cnc(NCCc2cccc(O)c2)nc1C1C[NH2+]C1 ZINC001155867351 862523308 /nfs/dbraw/zinc/52/33/08/862523308.db2.gz IZULOPHAZLDRPE-UHFFFAOYSA-N 1 0 315.333 1.432 20 5 DDBDRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)C2 ZINC001122203593 858712077 /nfs/dbraw/zinc/71/20/77/858712077.db2.gz OXQZDBIKFFZITL-NZUILWFCSA-N 1 0 315.373 1.766 20 5 DDBDRO CCN(C(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)[C@H]1CC[NH2+]C1 ZINC001122215486 858716117 /nfs/dbraw/zinc/71/61/17/858716117.db2.gz XRIFBTROCVPBQT-SOUVJXGZSA-N 1 0 303.362 1.909 20 5 DDBDRO CCOc1ccc(C(=O)N[C@H]2C[NH2+]CC2(C)C)cc1[N+](=O)[O-] ZINC001122365434 858778907 /nfs/dbraw/zinc/77/89/07/858778907.db2.gz YLGGNDJMCOXKDH-ZDUSSCGKSA-N 1 0 307.350 1.721 20 5 DDBDRO Cc1cc(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)no1 ZINC001123186963 859121629 /nfs/dbraw/zinc/12/16/29/859121629.db2.gz QFHPZPOXJHNDES-UHFFFAOYSA-N 1 0 304.306 1.411 20 5 DDBDRO COC(=O)c1cnc(N[C@H]2CC[N@@H+](C3CCC3)C2)c([N+](=O)[O-])c1 ZINC001161177858 859980626 /nfs/dbraw/zinc/98/06/26/859980626.db2.gz VSRQIVCGIHPEHE-NSHDSACASA-N 1 0 320.349 1.815 20 5 DDBDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2[nH]nc([N+](=O)[O-])c2Cl)CC1 ZINC001138230171 860044688 /nfs/dbraw/zinc/04/46/88/860044688.db2.gz IEGLGJHAFUACJU-MRVPVSSYSA-N 1 0 315.761 1.528 20 5 DDBDRO CC(C)(C)OC(=O)N1CC[C@H](OCCOCC[N+](C)(C)C)C1 ZINC001224775841 881528541 /nfs/dbraw/zinc/52/85/41/881528541.db2.gz PWBUCKOYOHREDD-AWEZNQCLSA-N 1 0 317.450 1.735 20 5 DDBDRO CC[C@]1(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC[NH2+]C1 ZINC001326039135 861060728 /nfs/dbraw/zinc/06/07/28/861060728.db2.gz OEBWBBBZCMGCNO-HNNXBMFYSA-N 1 0 307.350 1.480 20 5 DDBDRO [NH3+]CCc1ccn(-c2ccc(-c3ccc([N+](=O)[O-])cc3)nn2)n1 ZINC001156905233 863434914 /nfs/dbraw/zinc/43/49/14/863434914.db2.gz IPVJHMPAXRBPQY-UHFFFAOYSA-N 1 0 310.317 1.739 20 5 DDBDRO O=C(NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C1=CCOCC1 ZINC001156960628 863477398 /nfs/dbraw/zinc/47/73/98/863477398.db2.gz IAWLBFBAJYXSHB-UHFFFAOYSA-N 1 0 319.361 1.537 20 5 DDBDRO COC(=O)[C@@H](CCC[NH3+])Nc1nc(Cl)nc(C)c1[N+](=O)[O-] ZINC001157114464 863590572 /nfs/dbraw/zinc/59/05/72/863590572.db2.gz GHAXQKCEBHDAOU-SSDOTTSWSA-N 1 0 317.733 1.039 20 5 DDBDRO C[NH+]1CCC2(CCN(C(=O)Cn3ccc([N+](=O)[O-])n3)CC2)CC1 ZINC001329578539 863738008 /nfs/dbraw/zinc/73/80/08/863738008.db2.gz NGQUZTPEUSDSPW-UHFFFAOYSA-N 1 0 321.381 1.126 20 5 DDBDRO Cc1ccc(CNC(=O)N2C[C@H]3CC[N@@H+](C)[C@H]3C2)cc1[N+](=O)[O-] ZINC001329585020 863739032 /nfs/dbraw/zinc/73/90/32/863739032.db2.gz XLBLZNNGEQUETB-HIFRSBDPSA-N 1 0 318.377 1.749 20 5 DDBDRO O=[N+]([O-])c1cnc(NCCOC(F)(F)F)nc1C1C[NH2+]C1 ZINC001157391842 863781790 /nfs/dbraw/zinc/78/17/90/863781790.db2.gz BVYKVQKMZGELRM-UHFFFAOYSA-N 1 0 307.232 1.020 20 5 DDBDRO COC(=O)[C@@H](CO[C@@H](C)C[N+](C)(C)C)NC(=O)OC(C)(C)C ZINC001225129868 881696518 /nfs/dbraw/zinc/69/65/18/881696518.db2.gz ZMTLTTIMHHPSTG-NWDGAFQWSA-O 1 0 319.422 1.164 20 5 DDBDRO CNc1nccc(C(=O)N2CC[NH+](C(C)(C)C)CC2)c1[N+](=O)[O-] ZINC001329884060 863918460 /nfs/dbraw/zinc/91/84/60/863918460.db2.gz KSVCQFMLNGXZBY-UHFFFAOYSA-N 1 0 321.381 1.588 20 5 DDBDRO O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1NCC12CC[NH+](CC1)CC2 ZINC001158826694 864923010 /nfs/dbraw/zinc/92/30/10/864923010.db2.gz IEPHDIZYPBXTCZ-UHFFFAOYSA-N 1 0 312.757 1.779 20 5 DDBDRO C[C@@H](Nc1nc2ccccc2cc1[N+](=O)[O-])[C@H]1C[NH2+]CCO1 ZINC001159499874 865358331 /nfs/dbraw/zinc/35/83/31/865358331.db2.gz QGTGUXDLZPHOTC-QMTHXVAHSA-N 1 0 302.334 1.932 20 5 DDBDRO O=[N+]([O-])c1c(Cl)c2ccccc2nc1N[C@H]1C[NH2+]C[C@H]1CO ZINC001159674701 865462965 /nfs/dbraw/zinc/46/29/65/865462965.db2.gz ALVKCVPKGHMUQV-KWQFWETISA-N 1 0 322.752 1.789 20 5 DDBDRO COc1ncnc(-n2c(CC[NH3+])cc3ccccc32)c1[N+](=O)[O-] ZINC001160126307 865687701 /nfs/dbraw/zinc/68/77/01/865687701.db2.gz PMNWYZUWGGQCIR-UHFFFAOYSA-N 1 0 313.317 1.839 20 5 DDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC001332401689 865814110 /nfs/dbraw/zinc/81/41/10/865814110.db2.gz KHYRDRSRDPNIIW-CABCVRRESA-N 1 0 318.377 1.945 20 5 DDBDRO Cn1cc([N+](=O)[O-])c(-c2nc([C@H]3C[NH+]4CCC3CC4)no2)n1 ZINC001323915611 866946168 /nfs/dbraw/zinc/94/61/68/866946168.db2.gz UTYIENUBGJSVHZ-VIFPVBQESA-N 1 0 304.310 1.188 20 5 DDBDRO CCN(CC[NH2+]CCc1ccccc1F)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001320735365 866992005 /nfs/dbraw/zinc/99/20/05/866992005.db2.gz XQYUMFDUNSIKDJ-UKRRQHHQSA-N 1 0 323.368 1.472 20 5 DDBDRO [NH3+]Cc1nc2cnccc2n1-c1ncnc2cc([N+](=O)[O-])ccc21 ZINC001162216061 867349467 /nfs/dbraw/zinc/34/94/67/867349467.db2.gz WHDRDPUSGOFLNK-UHFFFAOYSA-N 1 0 321.300 1.731 20 5 DDBDRO C[NH+](C)CCOc1cc(NCc2ncon2)ccc1[N+](=O)[O-] ZINC001162281053 867407249 /nfs/dbraw/zinc/40/72/49/867407249.db2.gz BXFKRMROXCYTEI-UHFFFAOYSA-N 1 0 307.310 1.530 20 5 DDBDRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC001321242912 867431404 /nfs/dbraw/zinc/43/14/04/867431404.db2.gz GOTHIEDPJOMUTC-UHFFFAOYSA-N 1 0 317.349 1.652 20 5 DDBDRO COC(=O)c1ccnc(N[C@]2(C)CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC001162338156 867468855 /nfs/dbraw/zinc/46/88/55/867468855.db2.gz XCWWSNHXPHFJFD-CQSZACIVSA-N 1 0 308.338 1.673 20 5 DDBDRO COc1nc(NC[C@H]2CCC[NH2+]C[C@@H]2C)nc(C)c1[N+](=O)[O-] ZINC001162452159 867544041 /nfs/dbraw/zinc/54/40/41/867544041.db2.gz BQXRIDDGTVGELG-GXSJLCMTSA-N 1 0 309.370 1.749 20 5 DDBDRO O=[N+]([O-])c1cc[n+]([O-])c(NC[C@]2(F)CCCC[NH2+]C2)c1F ZINC001162580703 867660651 /nfs/dbraw/zinc/66/06/51/867660651.db2.gz WVSZWWKIYBXGPW-LBPRGKRZSA-N 1 0 302.281 1.261 20 5 DDBDRO COc1nc(N2Cc3ccccc3C[C@H]2C[NH3+])ncc1[N+](=O)[O-] ZINC001162740459 867790119 /nfs/dbraw/zinc/79/01/19/867790119.db2.gz ZXRVMZIGEHWPHV-LBPRGKRZSA-N 1 0 315.333 1.283 20 5 DDBDRO C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])o3)C[C@@H]2C1 ZINC001334831291 867851715 /nfs/dbraw/zinc/85/17/15/867851715.db2.gz HEHPUGQJSGQTQP-SDDRHHMPSA-N 1 0 307.350 1.990 20 5 DDBDRO COc1nc(Nc2ccc([C@@H](C[NH3+])CO)cc2)ncc1[N+](=O)[O-] ZINC001163049425 868034990 /nfs/dbraw/zinc/03/49/90/868034990.db2.gz AFXHRPDUEHDZRR-JTQLQIEISA-N 1 0 319.321 1.172 20 5 DDBDRO Nc1ccnc(NCC[C@@H]2C[NH2+]Cc3cccn3C2)c1[N+](=O)[O-] ZINC001163057686 868044276 /nfs/dbraw/zinc/04/42/76/868044276.db2.gz RESBGZSFADFSLD-LLVKDONJSA-N 1 0 316.365 1.595 20 5 DDBDRO Cc1cnc(N2CCC(C3=CC=C(N)C[NH2+]3)CC2)c([N+](=O)[O-])c1 ZINC001163128849 868134900 /nfs/dbraw/zinc/13/49/00/868134900.db2.gz CVADPLAXOKGLQK-UHFFFAOYSA-N 1 0 315.377 1.844 20 5 DDBDRO COc1cc(NC[C@@H]2OC[C@H]3C[NH2+]CC[C@H]32)cnc1[N+](=O)[O-] ZINC001163176785 868190478 /nfs/dbraw/zinc/19/04/78/868190478.db2.gz WTKCJMQJWCGWGY-XWIASGKRSA-N 1 0 308.338 1.035 20 5 DDBDRO O=[N+]([O-])c1ccnc(Cl)c1N[C@H]1CCO[C@@]2(CC[NH2+]C2)C1 ZINC001163308153 868333746 /nfs/dbraw/zinc/33/37/46/868333746.db2.gz BCHXODMSLFLBCM-ZANVPECISA-N 1 0 312.757 1.966 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1[nH]c(=S)ncc1C1CC1 ZINC001226116845 882213202 /nfs/dbraw/zinc/21/32/02/882213202.db2.gz GMJKEZZTBWVACV-SNVBAGLBSA-O 1 0 312.415 1.005 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])c(N[C@@H](C)C[NH+](C)C)cc1OC ZINC001163782076 868699794 /nfs/dbraw/zinc/69/97/94/868699794.db2.gz AYJMIKTXONXGOD-VIFPVBQESA-N 1 0 311.338 1.752 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])c(Cl)cc1-n1nc(C[NH3+])cc1C ZINC001163988151 868849757 /nfs/dbraw/zinc/84/97/57/868849757.db2.gz IQKYPBLYJNFACX-UHFFFAOYSA-N 1 0 324.724 1.988 20 5 DDBDRO C=C/C(C)=C\CC(=O)NCCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001164148181 868972828 /nfs/dbraw/zinc/97/28/28/868972828.db2.gz KUCMLLFYKKSJDU-SDQBBNPISA-N 1 0 321.381 1.447 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCCNC(=O)CCCC1CC1 ZINC001164277398 869079378 /nfs/dbraw/zinc/07/93/78/869079378.db2.gz LARABAYYTJPMLY-UHFFFAOYSA-N 1 0 323.397 1.505 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CC2(C3(O)CCC3)CC2)cc1 ZINC001336831180 869170691 /nfs/dbraw/zinc/17/06/91/869170691.db2.gz KHLPLPIYUWIXLG-AWEZNQCLSA-N 1 0 306.362 1.913 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)CN[C@H]2C[C@@H]([NH+]3CCCC3)C2)cc1 ZINC001336839086 869176031 /nfs/dbraw/zinc/17/60/31/869176031.db2.gz JMFQXIRPEHYWSS-IMJJTQAJSA-N 1 0 305.378 1.845 20 5 DDBDRO COC(=O)Cc1ccc(OC[C@H]2CN(C)CCO2)c([N+](=O)[O-])c1 ZINC001226216243 882282603 /nfs/dbraw/zinc/28/26/03/882282603.db2.gz GTHCCUJBSAMMRR-GFCCVEGCSA-N 1 0 324.333 1.020 20 5 DDBDRO C[NH+](C)C[C@]12C[C@H]1CN(c1cnc3ccc([N+](=O)[O-])cc3n1)C2 ZINC001165181330 869417341 /nfs/dbraw/zinc/41/73/41/869417341.db2.gz MHURBLQUGZFLLH-ZBEGNZNMSA-N 1 0 313.361 1.926 20 5 DDBDRO C[C@H]1CN(C(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC001165187227 869419491 /nfs/dbraw/zinc/41/94/91/869419491.db2.gz QFNZTFWBDFJKTJ-ZETCQYMHSA-N 1 0 306.700 1.986 20 5 DDBDRO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3ccc(F)cc3[N+](=O)[O-])[C@@H]2C1 ZINC001338464794 869992867 /nfs/dbraw/zinc/99/28/67/869992867.db2.gz QRRKFOLAYBPVNA-IACUBPJLSA-N 1 0 321.352 1.733 20 5 DDBDRO CCC1([NH+]2CCC2)CCN(c2nnc([C@H](C)[N+](=O)[O-])n2C)CC1 ZINC001339541416 870547125 /nfs/dbraw/zinc/54/71/25/870547125.db2.gz IRGDOFHQJHAKFF-LBPRGKRZSA-N 1 0 322.413 1.608 20 5 DDBDRO COC(=O)c1cc(O[C@H](C)C[NH+](C)C)c(OC)cc1[N+](=O)[O-] ZINC001226440186 882434211 /nfs/dbraw/zinc/43/42/11/882434211.db2.gz SMSKTIDAIPPXOD-SECBINFHSA-N 1 0 312.322 1.719 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC001340119252 870901112 /nfs/dbraw/zinc/90/11/12/870901112.db2.gz OYXQNBSMQBWNHY-CYBMUJFWSA-N 1 0 321.381 1.090 20 5 DDBDRO C[C@@H]1[C@H](NC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC001303799163 871155603 /nfs/dbraw/zinc/15/56/03/871155603.db2.gz DHFCYMBXQYIYGB-BXKDBHETSA-N 1 0 311.769 2.000 20 5 DDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@H]1CN(C)CCO1 ZINC001340735208 871317998 /nfs/dbraw/zinc/31/79/98/871317998.db2.gz JWSUNMMMAIWADB-IINYFYTJSA-N 1 0 322.365 1.085 20 5 DDBDRO O=c1[nH]ccc(N2CCC([NH2+]C3CCOCC3)CC2)c1[N+](=O)[O-] ZINC001307207192 871409167 /nfs/dbraw/zinc/40/91/67/871409167.db2.gz MBERXEDEOYKRTC-UHFFFAOYSA-N 1 0 322.365 1.433 20 5 DDBDRO C[C@H]1C[NH2+][C@@H](C)[C@H](C)N1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC001341141125 871525787 /nfs/dbraw/zinc/52/57/87/871525787.db2.gz PWTLZCCQOQFRSO-AVGNSLFASA-N 1 0 320.393 1.994 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001341538635 871703000 /nfs/dbraw/zinc/70/30/00/871703000.db2.gz XEQIPJNEKXMYJJ-XXILOJSOSA-N 1 0 309.297 1.122 20 5 DDBDRO CCN1CCN(C(=O)c2cc([N+](=O)[O-])ccc2NC)[C@H](C)C1 ZINC001341741367 871799100 /nfs/dbraw/zinc/79/91/00/871799100.db2.gz DPSUNRURBOALAY-LLVKDONJSA-N 1 0 306.366 1.803 20 5 DDBDRO [NH3+]C[C@@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC001341797819 871829587 /nfs/dbraw/zinc/82/95/87/871829587.db2.gz NRBRUFOQKYLUOA-UEEZHKSASA-N 1 0 303.362 1.942 20 5 DDBDRO C[NH+](C)[C@@H]1CCCC[C@@H]1Nc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC001318371610 871967011 /nfs/dbraw/zinc/96/70/11/871967011.db2.gz PPQNVFBSLSVCPW-WCQYABFASA-N 1 0 306.366 1.978 20 5 DDBDRO O=C(N[C@H]1C[NH2+]CC12CC2)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC001342203282 872065620 /nfs/dbraw/zinc/06/56/20/872065620.db2.gz WYKNXSNGAOLBQZ-ZDUSSCGKSA-N 1 0 301.302 1.823 20 5 DDBDRO CN(CC(=O)NC[C@H]1CCCCC[NH2+]1)c1ccccc1[N+](=O)[O-] ZINC001342207759 872069948 /nfs/dbraw/zinc/06/99/48/872069948.db2.gz YVPXEIDINFRWCY-CYBMUJFWSA-N 1 0 320.393 1.679 20 5 DDBDRO C[NH2+]CCN(C(=O)Cc1ccc(OC)c([N+](=O)[O-])c1)C(C)C ZINC001342612893 872294302 /nfs/dbraw/zinc/29/43/02/872294302.db2.gz JUWCDJQJHHJKSB-UHFFFAOYSA-N 1 0 309.366 1.602 20 5 DDBDRO C[C@@H]1CN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC[C@@H]1C[NH3+] ZINC001342650107 872316673 /nfs/dbraw/zinc/31/66/73/872316673.db2.gz XWMRLFUOXMLRGY-VXGBXAGGSA-N 1 0 307.350 1.417 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[NH2+]CC1 ZINC001342861358 872414176 /nfs/dbraw/zinc/41/41/76/872414176.db2.gz ZLAFQTZLQPCTNW-GFCCVEGCSA-N 1 0 320.393 1.780 20 5 DDBDRO CCOc1cc(NC(=O)N2CC[N@@H+]3CC[C@H]2C3)ccc1[N+](=O)[O-] ZINC001346512002 873784538 /nfs/dbraw/zinc/78/45/38/873784538.db2.gz XCRHQEUAZDKEAV-LBPRGKRZSA-N 1 0 320.349 1.915 20 5 DDBDRO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3[O-])[C@@H]2C1 ZINC001347597694 874206988 /nfs/dbraw/zinc/20/69/88/874206988.db2.gz RYERSXZWKPHXGH-ZWKOPEQDSA-N 1 0 305.334 1.370 20 5 DDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC001347938564 874311967 /nfs/dbraw/zinc/31/19/67/874311967.db2.gz CATJOWPRPUGPHY-BMIGLBTASA-N 1 0 304.350 1.590 20 5 DDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC001349156593 874997170 /nfs/dbraw/zinc/99/71/70/874997170.db2.gz VRNCRVCNOWJFLK-UHFFFAOYSA-N 1 0 318.377 1.852 20 5 DDBDRO C[N@@H+]1CC[C@H](Oc2ccc(Br)nc2[N+](=O)[O-])C1 ZINC001227256349 882935890 /nfs/dbraw/zinc/93/58/90/882935890.db2.gz GPUXVINVWWIVTI-ZETCQYMHSA-N 1 0 302.128 1.835 20 5 DDBDRO C[C@H](c1nnc(N2CC[C@@H](C[NH+]3CCCCC3)C2)n1C)[N+](=O)[O-] ZINC001350588382 875771901 /nfs/dbraw/zinc/77/19/01/875771901.db2.gz OCEAOPPPKFXSQC-OLZOCXBDSA-N 1 0 322.413 1.465 20 5 DDBDRO Cc1ccc(CNC(=O)NC[C@@H]2C[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC001353448201 877340266 /nfs/dbraw/zinc/34/02/66/877340266.db2.gz GKHKIYPZHMUJOC-YPMHNXCESA-N 1 0 306.366 1.558 20 5 DDBDRO O=[N+]([O-])C[C@@H](OC[C@@H]1C[C@@H]2CC[NH2+]C[C@@H]2O1)c1cccnc1 ZINC001217864564 877343209 /nfs/dbraw/zinc/34/32/09/877343209.db2.gz FVVKXQBUOVPJNH-CYUUQNCZSA-N 1 0 307.350 1.183 20 5 DDBDRO O=C(Nc1cc2cccnc2c2ncccc12)[C@H]1C[NH2+]C[C@H]1O ZINC001218979912 877849064 /nfs/dbraw/zinc/84/90/64/877849064.db2.gz LBQVBJQJHMQSRB-GXTWGEPZSA-N 1 0 308.341 1.302 20 5 DDBDRO [NH3+]CCCNCC(=O)Nc1cc2cccnc2c2ncccc12 ZINC001218979957 877852203 /nfs/dbraw/zinc/85/22/03/877852203.db2.gz MYSGSWGKJIIRBE-UHFFFAOYSA-N 1 0 309.373 1.660 20 5 DDBDRO Cc1ccc(CNC(=O)[C@]23C[NH2+]C[C@H]2CCOC3)cc1[N+](=O)[O-] ZINC001354523459 878036428 /nfs/dbraw/zinc/03/64/28/878036428.db2.gz LJGGCBTZMHQJMA-CJNGLKHVSA-N 1 0 319.361 1.146 20 5 DDBDRO C[NH+]1CCC2(CCN2C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC001219452345 878236129 /nfs/dbraw/zinc/23/61/29/878236129.db2.gz KDAMYOFCZUOROE-UHFFFAOYSA-N 1 0 319.365 1.879 20 5 DDBDRO Cc1c(CC(=O)N2CC[C@@H](C[NH3+])[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC001355064794 878406068 /nfs/dbraw/zinc/40/60/68/878406068.db2.gz ISILSLIYYXCHAS-FZMZJTMJSA-N 1 0 305.378 1.889 20 5 DDBDRO CC(C)(C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)n1cccn1 ZINC001357260635 879881489 /nfs/dbraw/zinc/88/14/89/879881489.db2.gz QPKIAWPJJHQRNI-CQSZACIVSA-N 1 0 304.350 1.850 20 5 DDBDRO COc1cc(C(=O)N2CC[C@H](C[NH3+])[C@H](C)C2)ccc1[N+](=O)[O-] ZINC001358249050 880379865 /nfs/dbraw/zinc/37/98/65/880379865.db2.gz BSWOZCCFWSFYTB-ZYHUDNBSSA-N 1 0 307.350 1.660 20 5 DDBDRO COC(=O)c1ccc(CO[C@@H](C)C[N+](C)(C)C)c([N+](=O)[O-])c1 ZINC001223414403 880951914 /nfs/dbraw/zinc/95/19/14/880951914.db2.gz DOPYWHXXQCTNOK-NSHDSACASA-N 1 0 311.358 1.993 20 5 DDBDRO CN1[C@@H]2C[C@@H](Oc3nccc(Cl)c3[N+](=O)[O-])[C@H]1CC(=O)C2 ZINC001228014392 883287385 /nfs/dbraw/zinc/28/73/85/883287385.db2.gz KDVZYRWAXWNGNB-WHGOUJPWSA-N 1 0 311.725 1.826 20 5 DDBDRO CC(=O)c1cc2cccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)c2o1 ZINC001228149757 883366602 /nfs/dbraw/zinc/36/66/02/883366602.db2.gz LDPQBBMUTLNOCC-CYBMUJFWSA-N 1 0 320.365 1.998 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ncnc2cccc(Cl)c21 ZINC001230754558 884834559 /nfs/dbraw/zinc/83/45/59/884834559.db2.gz FHWVRGXIQHWOPD-SNVBAGLBSA-N 1 0 324.788 1.646 20 5 DDBDRO COC(=O)[C@@H]1C[C@H]([NH3+])CN1[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001246908078 892981860 /nfs/dbraw/zinc/98/18/60/892981860.db2.gz UIVRZUILZQLROZ-OSMZGAPFSA-N 1 0 307.350 1.100 20 5 DDBDRO N[C@@H](CCCC[NH3+])c1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001247695554 893297488 /nfs/dbraw/zinc/29/74/88/893297488.db2.gz GRJXQBHAZOSXGM-QMMMGPOBSA-N 1 0 310.289 1.308 20 5 DDBDRO C[C@@H](NC(=O)NCC[N@@H+]1CC[C@@H](O)C1)c1ccccc1[N+](=O)[O-] ZINC001248414398 893629875 /nfs/dbraw/zinc/62/98/75/893629875.db2.gz FRHGCICRFHQHGU-VXGBXAGGSA-N 1 0 322.365 1.022 20 5 DDBDRO C[NH+](C)CCCNC(=S)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001252811694 895466939 /nfs/dbraw/zinc/46/69/39/895466939.db2.gz VHFYEFIPIKRESK-UHFFFAOYSA-N 1 0 322.434 1.779 20 5 DDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1COCCC12OCCO2 ZINC001254538369 896494069 /nfs/dbraw/zinc/49/40/69/896494069.db2.gz TVXZEBGMOIIWEF-SWLSCSKDSA-N 1 0 322.361 1.647 20 5 DDBDRO COC(=O)[C@H]1[C@@H]2C[N@H+]([C@H](C)Cc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC001254558393 896502427 /nfs/dbraw/zinc/50/24/27/896502427.db2.gz FUOYAEFTABCYJB-PBOSXPJTSA-N 1 0 304.346 1.877 20 5 DDBDRO COC(=O)CCC(=O)C[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254581445 896513110 /nfs/dbraw/zinc/51/31/10/896513110.db2.gz KONDVEUWITWPGF-LBPRGKRZSA-N 1 0 306.318 1.174 20 5 DDBDRO CC(=O)NC1CC[NH+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254599662 896525204 /nfs/dbraw/zinc/52/52/04/896525204.db2.gz OBLNVPQDEAYXKM-MRXNPFEDSA-N 1 0 303.362 1.663 20 5 DDBDRO CC(=O)N(C)[C@@H]1CC[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254611677 896532817 /nfs/dbraw/zinc/53/28/17/896532817.db2.gz QZEULWTXESPNMS-HZPDHXFCSA-N 1 0 303.362 1.615 20 5 DDBDRO C[C@@H]1CN(CC[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@@H](C)CO1 ZINC001262569071 900252050 /nfs/dbraw/zinc/25/20/50/900252050.db2.gz PCLITFHSACIPMV-ZENOOKHLSA-N 1 0 323.393 1.327 20 5 DDBDRO C[C@@H]1SCC[C@H]1[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC001262576293 900256371 /nfs/dbraw/zinc/25/63/71/900256371.db2.gz MICDPXPTWGJAKZ-QJPTWQEYSA-N 1 0 312.391 1.818 20 5 DDBDRO CC1CCC([NH+]2CCN(c3nnc(C[N+](=O)[O-])n3C)CC2)CC1 ZINC001262864914 900401395 /nfs/dbraw/zinc/40/13/95/900401395.db2.gz UPVVHBAUGUYDPH-UHFFFAOYSA-N 1 0 322.413 1.293 20 5 DDBDRO COC(=O)c1cc(NC(=O)C[C@@H]2CC[N@H+](C)C2)cc([N+](=O)[O-])c1 ZINC001293928022 914777794 /nfs/dbraw/zinc/77/77/94/914777794.db2.gz LVTLVHMJSRGTFY-JTQLQIEISA-N 1 0 321.333 1.662 20 5 DDBDRO C[NH2+]C1CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000178951166 290637865 /nfs/dbraw/zinc/63/78/65/290637865.db2.gz JEQZOBLTTRKSLW-UHFFFAOYSA-N 1 0 317.342 1.106 20 5 DDBDRO NC(=O)NC1CC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000079466359 185172734 /nfs/dbraw/zinc/17/27/34/185172734.db2.gz DIPUMRXEGSNDTF-UHFFFAOYSA-N 1 0 322.365 1.496 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCOCC23CCCCC3)c1 ZINC000451817931 231202869 /nfs/dbraw/zinc/20/28/69/231202869.db2.gz UQVIXPCJMWZJJD-CQSZACIVSA-N 1 0 324.381 1.187 20 5 DDBDRO COC(=O)[C@H](C)C[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083173254 185215847 /nfs/dbraw/zinc/21/58/47/185215847.db2.gz SUXVVMBZZPBTLA-SECBINFHSA-N 1 0 307.306 1.977 20 5 DDBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCO[C@@H](C[NH3+])C1 ZINC000358117805 299081337 /nfs/dbraw/zinc/08/13/37/299081337.db2.gz ACDMRYNMOOCBNV-AWEZNQCLSA-N 1 0 309.366 1.542 20 5 DDBDRO CC[C@@H]1[C@@H](CO)CC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000451263372 529481492 /nfs/dbraw/zinc/48/14/92/529481492.db2.gz YUTPSTXYJUQYIG-MGPQQGTHSA-N 1 0 324.377 1.427 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CC[C@H](CCCO)C1 ZINC000452126061 231312103 /nfs/dbraw/zinc/31/21/03/231312103.db2.gz TZIQTMRWBLGYAA-KBPBESRZSA-N 1 0 324.377 1.429 20 5 DDBDRO CC[C@]1(CO)CCC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000252013752 282207964 /nfs/dbraw/zinc/20/79/64/282207964.db2.gz XXJNXROHGCNSKT-GDBMZVCRSA-N 1 0 324.377 1.571 20 5 DDBDRO CS[C@@H]1CCCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090564467 185303916 /nfs/dbraw/zinc/30/39/16/185303916.db2.gz AUBHMNFJFBKWOJ-CYBMUJFWSA-N 1 0 311.407 1.974 20 5 DDBDRO C[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](C)c1ccccc1 ZINC000181538617 199313724 /nfs/dbraw/zinc/31/37/24/199313724.db2.gz UXNABOXEBFOIOG-WWGRRREGSA-N 1 0 318.377 1.934 20 5 DDBDRO CN(CC1CC[NH+](C)CC1)c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000302002997 529865825 /nfs/dbraw/zinc/86/58/25/529865825.db2.gz RENFMZGLIDQHGV-UHFFFAOYSA-N 1 0 304.354 1.416 20 5 DDBDRO C[C@H]([NH2+]CCC(=O)N1CCN(C)CC1)c1ccccc1[N+](=O)[O-] ZINC000266884584 282303183 /nfs/dbraw/zinc/30/31/83/282303183.db2.gz PUTASQRFCPEKRI-ZDUSSCGKSA-N 1 0 320.393 1.410 20 5 DDBDRO COC(=O)COc1ccc(C[NH2+]CC2(CO)CC2)cc1[N+](=O)[O-] ZINC000616089302 362541987 /nfs/dbraw/zinc/54/19/87/362541987.db2.gz GUIPYDGDFDVJIP-UHFFFAOYSA-N 1 0 324.333 1.009 20 5 DDBDRO Cc1nn(CCC(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000330889534 232140470 /nfs/dbraw/zinc/14/04/70/232140470.db2.gz BJXQGIRQTPTWCZ-MFKMUULPSA-N 1 0 323.397 1.397 20 5 DDBDRO COc1ccc(C(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1[N+](=O)[O-] ZINC000319031207 282407760 /nfs/dbraw/zinc/40/77/60/282407760.db2.gz ASXRFHLOZQPSGJ-MEBBXXQBSA-N 1 0 307.350 1.660 20 5 DDBDRO C[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)C[C@@H]1[NH+](C)C ZINC000358390800 299139904 /nfs/dbraw/zinc/13/99/04/299139904.db2.gz HXORIESJQAWOCA-HZMBPMFUSA-N 1 0 309.341 1.685 20 5 DDBDRO CC[NH+]1CCC(CNC(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000317762724 290814690 /nfs/dbraw/zinc/81/46/90/290814690.db2.gz WGISVQOCGBIRIG-UHFFFAOYSA-N 1 0 306.366 1.639 20 5 DDBDRO Cc1c(CNC(=O)NCC[N@@H+](C)C2CC2)cccc1[N+](=O)[O-] ZINC000358449186 299155434 /nfs/dbraw/zinc/15/54/34/299155434.db2.gz SOXUSZCMHTUYHT-UHFFFAOYSA-N 1 0 306.366 1.797 20 5 DDBDRO C[N@@H+]1CCC[C@H]2CN(c3ncc([N+](=O)[O-])cc3C(N)=O)CC[C@@H]21 ZINC000133704045 186008633 /nfs/dbraw/zinc/00/86/33/186008633.db2.gz ORDNHJNRPJQWCJ-GWCFXTLKSA-N 1 0 319.365 1.009 20 5 DDBDRO C[NH+](C)CC(C)(C)NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000459544356 233298876 /nfs/dbraw/zinc/29/88/76/233298876.db2.gz DLJNXUJTODUXNK-UHFFFAOYSA-N 1 0 320.393 1.414 20 5 DDBDRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000236739778 201988499 /nfs/dbraw/zinc/98/84/99/201988499.db2.gz HJDDHEODMZUYSM-LBPRGKRZSA-N 1 0 308.382 1.839 20 5 DDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000272463660 209869633 /nfs/dbraw/zinc/86/96/33/209869633.db2.gz OUJJYRCAUYOZJU-JTQLQIEISA-N 1 0 304.350 1.391 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159581520 186128748 /nfs/dbraw/zinc/12/87/48/186128748.db2.gz OOWAGRPRUYSLNB-WFASDCNBSA-N 1 0 321.377 1.935 20 5 DDBDRO CC[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000181885472 186215488 /nfs/dbraw/zinc/21/54/88/186215488.db2.gz HUSMQMGKFPYENC-UHFFFAOYSA-N 1 0 317.292 1.878 20 5 DDBDRO CN(C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)C1(C[NH3+])CCC1 ZINC000564840755 304018099 /nfs/dbraw/zinc/01/80/99/304018099.db2.gz STLIQEUABVZUSR-UHFFFAOYSA-N 1 0 307.306 1.277 20 5 DDBDRO Cc1ccc(NC(=O)Cn2cc([N+](=O)[O-])cn2)c(C[NH+](C)C)c1 ZINC000172133613 198044403 /nfs/dbraw/zinc/04/44/03/198044403.db2.gz ACERQJYLOBDKGR-UHFFFAOYSA-N 1 0 317.349 1.800 20 5 DDBDRO Cc1cc(OCC(=O)N2CCC[N@@H+](C)CC2)ccc1[N+](=O)[O-] ZINC000020497316 352171107 /nfs/dbraw/zinc/17/11/07/352171107.db2.gz JJPVRGUDPZEEBA-UHFFFAOYSA-N 1 0 307.350 1.446 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCC[NH+]1CCCCC1 ZINC000044525965 352387391 /nfs/dbraw/zinc/38/73/91/352387391.db2.gz FGRFLLAVKZMSIC-UHFFFAOYSA-N 1 0 320.393 1.877 20 5 DDBDRO CN(C)C(=O)C1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000046037608 352434177 /nfs/dbraw/zinc/43/41/77/352434177.db2.gz NJSQGYGLRDJGLR-UHFFFAOYSA-N 1 0 321.377 1.774 20 5 DDBDRO CC[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C[C@H]1CCOC1 ZINC000052071046 352599293 /nfs/dbraw/zinc/59/92/93/352599293.db2.gz GUIPMQLYMTZGHR-HIFRSBDPSA-N 1 0 324.377 1.693 20 5 DDBDRO Nc1c(C(=O)NCC[NH+]2CCCCC2)cc(F)cc1[N+](=O)[O-] ZINC000053514601 352659347 /nfs/dbraw/zinc/65/93/47/352659347.db2.gz JXSXJIASEAPVJX-UHFFFAOYSA-N 1 0 310.329 1.532 20 5 DDBDRO CC(=O)c1ccc(NC[C@H](C)N2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000057838181 352830390 /nfs/dbraw/zinc/83/03/90/352830390.db2.gz FHYRTAKEHMUYEZ-LBPRGKRZSA-N 1 0 320.393 1.845 20 5 DDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC[N@@H+](C)C1CC1 ZINC000067717779 353064521 /nfs/dbraw/zinc/06/45/21/353064521.db2.gz OOQWJZNQIKWZRT-UHFFFAOYSA-N 1 0 313.379 1.276 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000067795916 353067965 /nfs/dbraw/zinc/06/79/65/353067965.db2.gz NGZCCQJLIFHMAS-DZGCQCFKSA-N 1 0 319.361 1.960 20 5 DDBDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000277139930 213320502 /nfs/dbraw/zinc/32/05/02/213320502.db2.gz HNGLOUJPDSJASD-LLVKDONJSA-N 1 0 324.356 1.872 20 5 DDBDRO C[NH+](C)C1(CNC(=O)c2ccccc2[N+](=O)[O-])CCOCC1 ZINC000073131872 353239472 /nfs/dbraw/zinc/23/94/72/353239472.db2.gz URSUNWKQKQBPTC-UHFFFAOYSA-N 1 0 307.350 1.435 20 5 DDBDRO CC[NH+](CC)[C@H]1CCN(C(=O)CCn2cc([N+](=O)[O-])nc2C)C1 ZINC000174169351 198301185 /nfs/dbraw/zinc/30/11/85/198301185.db2.gz NCQNSJSUUWWYGN-ZDUSSCGKSA-N 1 0 323.397 1.433 20 5 DDBDRO C[C@H](CNC(=O)NCCc1ccccc1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000074099416 353291502 /nfs/dbraw/zinc/29/15/02/353291502.db2.gz BXVXZPYAQLGVKQ-GFCCVEGCSA-N 1 0 320.393 1.919 20 5 DDBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000174473437 198338269 /nfs/dbraw/zinc/33/82/69/198338269.db2.gz CWGQFEKWTDUFDR-ZDUSSCGKSA-N 1 0 305.378 1.938 20 5 DDBDRO CC[NH+]1CCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000073140815 191282301 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Cc1ccc(NCCCNC(=O)C[NH2+]C2CC2)c([N+](=O)[O-])c1 ZINC000237667106 354344662 /nfs/dbraw/zinc/34/46/62/354344662.db2.gz BNCKXJUMNDJXNX-UHFFFAOYSA-N 1 0 306.366 1.573 20 5 DDBDRO CC(C)(C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1=CCCC1 ZINC000308767563 354473203 /nfs/dbraw/zinc/47/32/03/354473203.db2.gz QQWPLWSYTDNULB-CQSZACIVSA-N 1 0 308.382 1.878 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1[C@H](C)C[NH2+]C[C@@H]1C ZINC000493444968 234817274 /nfs/dbraw/zinc/81/72/74/234817274.db2.gz XCMRRWAGXIASEQ-BETUJISGSA-N 1 0 320.393 1.914 20 5 DDBDRO Cc1nc(C)c(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)s1 ZINC000315061518 354490932 /nfs/dbraw/zinc/49/09/32/354490932.db2.gz DKMSAKMRPQLTEV-NSHDSACASA-N 1 0 311.367 1.015 20 5 DDBDRO O=[N+]([O-])c1ccc(CN2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c(Cl)c1 ZINC000405284043 354677931 /nfs/dbraw/zinc/67/79/31/354677931.db2.gz WWWBRVSAMQISCC-QWHCGFSZSA-N 1 0 311.769 1.499 20 5 DDBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc2[nH]c(=O)oc2c1 ZINC000586791307 354866136 /nfs/dbraw/zinc/86/61/36/354866136.db2.gz PZMWXOGQINPJFJ-VIFPVBQESA-N 1 0 317.305 1.989 20 5 DDBDRO CN(CCC[NH+]1CCCC1)c1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000588039555 354897239 /nfs/dbraw/zinc/89/72/39/354897239.db2.gz LCOMILOGMZIOTG-UHFFFAOYSA-N 1 0 308.382 1.591 20 5 DDBDRO Nc1cc(NC[C@@H]2CC[N@@H+](C3CC3)C2)cc(CO)c1[N+](=O)[O-] ZINC000587178312 354881877 /nfs/dbraw/zinc/88/18/77/354881877.db2.gz FEQANMCDGPPXJP-JTQLQIEISA-N 1 0 306.366 1.566 20 5 DDBDRO O=C(c1ccc(F)cc1[N+](=O)[O-])N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000588861862 354944491 /nfs/dbraw/zinc/94/44/91/354944491.db2.gz VSYGJQZVQCHZQS-VXGBXAGGSA-N 1 0 323.324 1.015 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(CN(C)Cc2cnn(C)c2)c1 ZINC000589495318 354995692 /nfs/dbraw/zinc/99/56/92/354995692.db2.gz NUVBGHDZCHXNQL-UHFFFAOYSA-N 1 0 318.333 1.747 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[C@@H](C[NH+](C)C)C2)c1 ZINC000589499954 354997008 /nfs/dbraw/zinc/99/70/08/354997008.db2.gz LSAOMFLDLGDMJM-LBPRGKRZSA-N 1 0 321.377 1.765 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC2(C[NH+](C)C2)C1 ZINC000590335454 355073419 /nfs/dbraw/zinc/07/34/19/355073419.db2.gz IRAYBTOPPUWJTJ-UHFFFAOYSA-N 1 0 305.334 1.381 20 5 DDBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000590402677 355085807 /nfs/dbraw/zinc/08/58/07/355085807.db2.gz GOVXEUBSJQMBKX-JSGCOSHPSA-N 1 0 320.393 1.948 20 5 DDBDRO C[N@@H+]1C[C@H]2CCN(C(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)[C@H]2C1 ZINC000590445468 355098878 /nfs/dbraw/zinc/09/88/78/355098878.db2.gz MYSYZPLZJCWVOV-BMIGLBTASA-N 1 0 314.345 1.852 20 5 DDBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000591347090 355294544 /nfs/dbraw/zinc/29/45/44/355294544.db2.gz YGUMVNVVIQJZPI-DZGCQCFKSA-N 1 0 318.377 1.531 20 5 DDBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCCC[NH2+]1 ZINC000591351733 355296586 /nfs/dbraw/zinc/29/65/86/355296586.db2.gz IMRAODPXWXHIAT-LBPRGKRZSA-N 1 0 322.365 1.415 20 5 DDBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000591443695 355313140 /nfs/dbraw/zinc/31/31/40/355313140.db2.gz BQNCOXYIXSOKIU-KGLIPLIRSA-N 1 0 306.366 1.631 20 5 DDBDRO C[C@H]1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C[C@H]1C[NH3+] ZINC000591587026 355330489 /nfs/dbraw/zinc/33/04/89/355330489.db2.gz KTYWZPXYWWXASG-VHSXEESVSA-N 1 0 321.333 1.380 20 5 DDBDRO O=C([C@H]1C[NH2+]CCC1(F)F)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000591675037 355358950 /nfs/dbraw/zinc/35/89/50/355358950.db2.gz NBYVWTBKYONJSF-LLVKDONJSA-N 1 0 311.288 1.729 20 5 DDBDRO O=C(NCc1cccc([N+](=O)[O-])c1)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000592068179 355482287 /nfs/dbraw/zinc/48/22/87/355482287.db2.gz YRDCMIGALCIPAC-LSDHHAIUSA-N 1 0 303.362 1.847 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)n1 ZINC000592255404 355547793 /nfs/dbraw/zinc/54/77/93/355547793.db2.gz KDGKJZMRALCGNM-VXGBXAGGSA-N 1 0 321.381 1.273 20 5 DDBDRO CCC[NH2+]CCNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000592315198 355557579 /nfs/dbraw/zinc/55/75/79/355557579.db2.gz KRJJQUPJSWITOS-UHFFFAOYSA-N 1 0 309.322 1.095 20 5 DDBDRO CC(C)[C@@H]1[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC12CC=CC2 ZINC000592446777 355586972 /nfs/dbraw/zinc/58/69/72/355586972.db2.gz XCNPQBAADKEHJK-GJZGRUSLSA-N 1 0 320.393 1.829 20 5 DDBDRO CCOc1ccc(NC(=O)CN(C)CCC[NH3+])c([N+](=O)[O-])c1 ZINC000592473922 355593609 /nfs/dbraw/zinc/59/36/09/355593609.db2.gz VIJTVOUOXTYAFB-UHFFFAOYSA-N 1 0 310.354 1.213 20 5 DDBDRO CC1([NH3+])CCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000592485010 355596481 /nfs/dbraw/zinc/59/64/81/355596481.db2.gz NFNMMRDEZANSPK-CQSZACIVSA-N 1 0 318.377 1.513 20 5 DDBDRO C[C@@H]([NH3+])CNC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000592546805 355623426 /nfs/dbraw/zinc/62/34/26/355623426.db2.gz CQFWWZFRJUNDLN-SFYZADRCSA-N 1 0 301.730 1.479 20 5 DDBDRO C[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)C[C@H](C)[NH+]1C ZINC000358724216 299232752 /nfs/dbraw/zinc/23/27/52/299232752.db2.gz MSQULGKJPUQHHG-QWRGUYRKSA-N 1 0 309.341 1.827 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CN1CCC([NH2+]CCO)CC1 ZINC000601328237 358499245 /nfs/dbraw/zinc/49/92/45/358499245.db2.gz ILBGHRSEQBPWOB-UHFFFAOYSA-N 1 0 309.366 1.150 20 5 DDBDRO C[C@@H](CNC(=O)Cc1ccc(F)cc1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000593448321 355887897 /nfs/dbraw/zinc/88/78/97/355887897.db2.gz QKGUPGHPFCHLQU-JTQLQIEISA-N 1 0 309.341 1.875 20 5 DDBDRO C[C@@H]1CN(c2ccnc3cc([N+](=O)[O-])ccc32)CC[N@@H+]1CCO ZINC000593468917 355895419 /nfs/dbraw/zinc/89/54/19/355895419.db2.gz GAEWDFKGGWTRBO-GFCCVEGCSA-N 1 0 316.361 1.646 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000593914822 356057352 /nfs/dbraw/zinc/05/73/52/356057352.db2.gz NOZMEHADMAKHJW-WFASDCNBSA-N 1 0 321.381 1.077 20 5 DDBDRO O=C(Nc1ccncc1[N+](=O)[O-])N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594081518 356108421 /nfs/dbraw/zinc/10/84/21/356108421.db2.gz OFPMLORGBRPJLP-WCQYABFASA-N 1 0 319.365 1.550 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000594059074 356103161 /nfs/dbraw/zinc/10/31/61/356103161.db2.gz PDXZNOHRVCFFSK-QWHCGFSZSA-N 1 0 320.349 1.186 20 5 DDBDRO CNc1ccc(C(=O)N2[C@@H]3CC[C@H]2CC[N@@H+](C)C3)cc1[N+](=O)[O-] ZINC000565197097 304051105 /nfs/dbraw/zinc/05/11/05/304051105.db2.gz WIHVKXMCWFEQGX-QWHCGFSZSA-N 1 0 318.377 1.945 20 5 DDBDRO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])[nH]1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000594403220 356198297 /nfs/dbraw/zinc/19/82/97/356198297.db2.gz NMMRERSDGRKFHV-MXWKQRLJSA-N 1 0 310.354 1.150 20 5 DDBDRO Nc1c(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cccc1[N+](=O)[O-] ZINC000594419171 356204432 /nfs/dbraw/zinc/20/44/32/356204432.db2.gz OJMRLSQAHZWMIK-OLZOCXBDSA-N 1 0 318.377 1.924 20 5 DDBDRO CC(C)(C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])S(C)(=O)=O ZINC000594496772 356237525 /nfs/dbraw/zinc/23/75/25/356237525.db2.gz VCKUZLUWIWHUAD-LBPRGKRZSA-N 1 0 312.391 1.995 20 5 DDBDRO Cc1sc(S(=O)(=O)NCC[C@@H](C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000594822279 356327912 /nfs/dbraw/zinc/32/79/12/356327912.db2.gz VIHXRGNGWLUBNI-MRVPVSSYSA-N 1 0 321.424 1.583 20 5 DDBDRO COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000594919640 356354446 /nfs/dbraw/zinc/35/44/46/356354446.db2.gz IEIVOAYASKSNQZ-ZWKOPEQDSA-N 1 0 308.334 1.891 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCN1CCC(O)CC1 ZINC000595054308 356377294 /nfs/dbraw/zinc/37/72/94/356377294.db2.gz ZHMZKKHBJBYRJN-LBPRGKRZSA-N 1 0 323.393 1.711 20 5 DDBDRO O=C1CC[C@@H](C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)N1 ZINC000595090959 356381425 /nfs/dbraw/zinc/38/14/25/356381425.db2.gz QBAXHWIBTCWXHW-TUAOUCFPSA-N 1 0 307.354 1.143 20 5 DDBDRO CC(C)C[C@@](C)(C[NH3+])NS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000595102633 356382765 /nfs/dbraw/zinc/38/27/65/356382765.db2.gz PJRLJPAERXEMBO-LBPRGKRZSA-N 1 0 316.383 1.032 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000595239586 356414637 /nfs/dbraw/zinc/41/46/37/356414637.db2.gz DDNJBLILWDBBOK-UHFFFAOYSA-N 1 0 322.365 1.346 20 5 DDBDRO Cc1ccc(NCCCNC(=O)C[NH2+]C(C)C)c([N+](=O)[O-])c1 ZINC000595250011 356417716 /nfs/dbraw/zinc/41/77/16/356417716.db2.gz OZQYMWDCZLZQRS-UHFFFAOYSA-N 1 0 308.382 1.819 20 5 DDBDRO O=[N+]([O-])c1cc(F)ccc1CN1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000595303602 356440377 /nfs/dbraw/zinc/44/03/77/356440377.db2.gz AFBXCCSNRKTRRO-HOCLYGCPSA-N 1 0 323.368 1.765 20 5 DDBDRO Cc1noc(C[NH2+][C@@H]2CCCC[C@H]2N2CCOCC2)c1[N+](=O)[O-] ZINC000595457371 356500085 /nfs/dbraw/zinc/50/00/85/356500085.db2.gz WSOSFQUZLOYMPX-CHWSQXEVSA-N 1 0 324.381 1.624 20 5 DDBDRO CO[C@@H](C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1)C1CCC1 ZINC000595523067 356532583 /nfs/dbraw/zinc/53/25/83/356532583.db2.gz GXBZFHJGYQHSIB-HNNXBMFYSA-N 1 0 320.393 1.927 20 5 DDBDRO C[C@H](NC(=O)CCn1cc([N+](=O)[O-])cn1)C(C)(C)C[NH+](C)C ZINC000081732462 192318094 /nfs/dbraw/zinc/31/80/94/192318094.db2.gz FRWNYWPEDPRJSG-NSHDSACASA-N 1 0 311.386 1.274 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H](CO)C1CCC1 ZINC000595618489 356580316 /nfs/dbraw/zinc/58/03/16/356580316.db2.gz YMQHHJKAOHTOMH-CQSZACIVSA-N 1 0 307.350 1.592 20 5 DDBDRO C[C@@H](O)[C@H]1CCC[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000595771473 356645491 /nfs/dbraw/zinc/64/54/91/356645491.db2.gz PKEUKCPIBCBDEC-ZWNOBZJWSA-N 1 0 318.333 1.990 20 5 DDBDRO CN1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCC1=O ZINC000595774553 356647401 /nfs/dbraw/zinc/64/74/01/356647401.db2.gz VEEXRDXNEYTKNT-UHFFFAOYSA-N 1 0 320.349 1.088 20 5 DDBDRO O=C(C[NH2+][C@H]1C[C@@H](O)C12CCC2)Nc1ccccc1[N+](=O)[O-] ZINC000595779296 356648925 /nfs/dbraw/zinc/64/89/25/356648925.db2.gz BXODZMUNKKERCN-QWHCGFSZSA-N 1 0 305.334 1.426 20 5 DDBDRO O=C(CC[NH2+][C@@H]1C[C@H](O)C12CCC2)Nc1ccc([N+](=O)[O-])cc1 ZINC000595782030 356649507 /nfs/dbraw/zinc/64/95/07/356649507.db2.gz NDIRMXZEXQJNHD-KGLIPLIRSA-N 1 0 319.361 1.817 20 5 DDBDRO C[C@]12COC[C@@H]1C[N@H+](Cc1cc([N+](=O)[O-])cc3c1OCOC3)C2 ZINC000595760622 356641922 /nfs/dbraw/zinc/64/19/22/356641922.db2.gz UWYPFBDHFMEFMV-BBRMVZONSA-N 1 0 320.345 1.930 20 5 DDBDRO C[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCC(F)CC1 ZINC000595821230 356664078 /nfs/dbraw/zinc/66/40/78/356664078.db2.gz XTOHHAIDXKMSMQ-NPZBDFSRSA-N 1 0 314.361 1.659 20 5 DDBDRO COC(=O)[C@H]1C[C@@H]([N@H+](C)CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000595849630 356676410 /nfs/dbraw/zinc/67/64/10/356676410.db2.gz UWAYOLXVSLALJJ-BJHJDKERSA-N 1 0 308.334 1.857 20 5 DDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[NH2+]C2)cc1OC ZINC000237050775 202135999 /nfs/dbraw/zinc/13/59/99/202135999.db2.gz LVHPJQMGNUNVAA-SNVBAGLBSA-N 1 0 323.349 1.484 20 5 DDBDRO CC1(C)CC[NH2+][C@@H]1C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000595923467 356706621 /nfs/dbraw/zinc/70/66/21/356706621.db2.gz WIYKGONXOAEREI-CYBMUJFWSA-N 1 0 306.366 1.511 20 5 DDBDRO COCC[N@H+](C)CCCNc1c(Cl)cncc1[N+](=O)[O-] ZINC000596073316 356762480 /nfs/dbraw/zinc/76/24/80/356762480.db2.gz IPYFTAIFWJOPER-UHFFFAOYSA-N 1 0 302.762 1.445 20 5 DDBDRO O=c1[nH]ccc(N2CCC(C[NH+]3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000596076482 356763992 /nfs/dbraw/zinc/76/39/92/356763992.db2.gz FYIWGOJQJGPSQB-UHFFFAOYSA-N 1 0 322.365 1.244 20 5 DDBDRO O=c1[nH]ccc(NC2CC[NH+]([C@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000596168218 356800015 /nfs/dbraw/zinc/80/00/15/356800015.db2.gz QUJPXBIQLOSHBH-NSHDSACASA-N 1 0 308.338 1.361 20 5 DDBDRO C[NH+](C)[C@H]1CCCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000596209070 356815075 /nfs/dbraw/zinc/81/50/75/356815075.db2.gz PCHAEMFJZSCDCQ-NSHDSACASA-N 1 0 306.366 1.614 20 5 DDBDRO C[C@H](CCNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-])[NH+](C)C ZINC000596423782 356874234 /nfs/dbraw/zinc/87/42/34/356874234.db2.gz BSWPRFFSJLOJCB-SECBINFHSA-N 1 0 305.338 1.996 20 5 DDBDRO CC(C)[N@@H+]1CC[C@H](N(C)c2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596265786 356838053 /nfs/dbraw/zinc/83/80/53/356838053.db2.gz MGLZUYXMSHMAET-LBPRGKRZSA-N 1 0 306.366 1.613 20 5 DDBDRO COc1cc(C(=O)N2CCC(C[NH3+])CC2)c([N+](=O)[O-])cc1OC ZINC000237227743 202197412 /nfs/dbraw/zinc/19/74/12/202197412.db2.gz NYNGSOWFYPSDDV-UHFFFAOYSA-N 1 0 323.349 1.423 20 5 DDBDRO Cc1cc(N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)ncc1[N+](=O)[O-] ZINC000596537185 356910144 /nfs/dbraw/zinc/91/01/44/356910144.db2.gz BYXHGLCNEMUJQK-CYBMUJFWSA-N 1 0 306.366 1.334 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000596497019 356898207 /nfs/dbraw/zinc/89/82/07/356898207.db2.gz JRYXZCVBFDEFCV-ZDUSSCGKSA-N 1 0 324.381 1.116 20 5 DDBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000596815462 356983614 /nfs/dbraw/zinc/98/36/14/356983614.db2.gz AJTQZUFRAYXIBV-NSHDSACASA-N 1 0 321.381 1.654 20 5 DDBDRO COC(=O)[C@H]1C[C@@H]([NH2+]Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000597218610 357097457 /nfs/dbraw/zinc/09/74/57/357097457.db2.gz POQMVIVTXKVQCD-JGZJWPJOSA-N 1 0 324.333 1.653 20 5 DDBDRO CCc1n[nH]c(C(=O)N2CCC[N@@H+](C)C[C@H]2CC)c1[N+](=O)[O-] ZINC000597603808 357250981 /nfs/dbraw/zinc/25/09/81/357250981.db2.gz DYOBGHRWLUHRIW-SNVBAGLBSA-N 1 0 309.370 1.437 20 5 DDBDRO CCN(C(=O)CCOc1ccccc1[N+](=O)[O-])[C@@H]1CC[N@H+](C)C1 ZINC000597945947 357394005 /nfs/dbraw/zinc/39/40/05/357394005.db2.gz KYAIOCCKIRDARM-CYBMUJFWSA-N 1 0 321.377 1.916 20 5 DDBDRO Cc1ccc(C(=O)NCCN(C)CCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000597990171 357408141 /nfs/dbraw/zinc/40/81/41/357408141.db2.gz PRIXHTJFNHILHU-UHFFFAOYSA-N 1 0 322.409 1.517 20 5 DDBDRO CCOc1cc(C[N@H+](C)CCCC(=O)NC)ccc1[N+](=O)[O-] ZINC000276828309 213118881 /nfs/dbraw/zinc/11/88/81/213118881.db2.gz ANTIYZWDHIDDNJ-UHFFFAOYSA-N 1 0 309.366 1.952 20 5 DDBDRO CN(CC1C[NH+](C)C1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000598162057 357478661 /nfs/dbraw/zinc/47/86/61/357478661.db2.gz HYADMJFSESYWOY-UHFFFAOYSA-N 1 0 302.334 1.710 20 5 DDBDRO CCC[N@@H+]1CC[C@@H](NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000598343145 357545532 /nfs/dbraw/zinc/54/55/32/357545532.db2.gz RHPZVGRGYKPJOM-SNVBAGLBSA-N 1 0 317.349 1.685 20 5 DDBDRO COC(=O)c1ccnc(NCC2([NH+](C)C)CCC2)c1[N+](=O)[O-] ZINC000598617520 357655537 /nfs/dbraw/zinc/65/55/37/357655537.db2.gz JTBPQHHFKUXMGQ-UHFFFAOYSA-N 1 0 308.338 1.673 20 5 DDBDRO Cc1n[nH]c(C(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)c1[N+](=O)[O-] ZINC000598560407 357633159 /nfs/dbraw/zinc/63/31/59/357633159.db2.gz LDDMUVIXRVISLB-GFCCVEGCSA-N 1 0 321.381 1.478 20 5 DDBDRO COc1cc(C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)ccc1[N+](=O)[O-] ZINC000292364530 223025575 /nfs/dbraw/zinc/02/55/75/223025575.db2.gz WHDZNWWUSNGCOW-MRXNPFEDSA-N 1 0 319.361 1.771 20 5 DDBDRO Cc1noc([C@@H]2OCC[C@@H]2[NH2+]Cc2cccc([N+](=O)[O-])c2)n1 ZINC000599020983 357796470 /nfs/dbraw/zinc/79/64/70/357796470.db2.gz RFAYDPZKGCDOET-QWHCGFSZSA-N 1 0 304.306 1.906 20 5 DDBDRO CN1CC[NH+](CC2CN(c3ccc(F)cc3[N+](=O)[O-])C2)CC1 ZINC000599109937 357818344 /nfs/dbraw/zinc/81/83/44/357818344.db2.gz YKWNXBBNMSTBJD-UHFFFAOYSA-N 1 0 308.357 1.418 20 5 DDBDRO O=[N+]([O-])c1ccc(NCC[N@H+]2CC[C@H](O)C2)cc1OC(F)F ZINC000599199649 357847309 /nfs/dbraw/zinc/84/73/09/357847309.db2.gz OKHXORDZWDOXKY-JTQLQIEISA-N 1 0 317.292 1.675 20 5 DDBDRO O=[N+]([O-])c1cnc(NCC[N@H+]2CC[C@H](O)C2)c(C(F)(F)F)c1 ZINC000599200123 357847825 /nfs/dbraw/zinc/84/78/25/357847825.db2.gz XGBJSYLRPJWXDQ-VIFPVBQESA-N 1 0 320.271 1.487 20 5 DDBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)CC1(C)COC1 ZINC000599571544 357979482 /nfs/dbraw/zinc/97/94/82/357979482.db2.gz KUVUUMXVSGAJKM-LLVKDONJSA-N 1 0 307.350 1.890 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC1(C[NH3+])CCOCC1 ZINC000599601428 357989324 /nfs/dbraw/zinc/98/93/24/357989324.db2.gz SHAMNJBTXZOJTA-UHFFFAOYSA-N 1 0 322.365 1.841 20 5 DDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N(C)CCOCC[NH3+] ZINC000599606398 357990845 /nfs/dbraw/zinc/99/08/45/357990845.db2.gz XRNLWYJDMBFXBL-UHFFFAOYSA-N 1 0 310.354 1.596 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC1(C[NH3+])CCOCC1 ZINC000599607000 357991247 /nfs/dbraw/zinc/99/12/47/357991247.db2.gz SYELBJSOPYZMQB-UHFFFAOYSA-N 1 0 322.365 1.841 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1C[NH+]2CCC1CC2 ZINC000347978186 283314534 /nfs/dbraw/zinc/31/45/34/283314534.db2.gz HRLOOCUYULYVQI-CQSZACIVSA-N 1 0 304.350 1.464 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[NH2+]C[C@@H]1C(C)C ZINC000600716493 358292398 /nfs/dbraw/zinc/29/23/98/358292398.db2.gz YBENFKOMIPNIAO-OAHLLOKOSA-N 1 0 320.393 1.772 20 5 DDBDRO C[NH2+]C1(CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CCC1 ZINC000600824718 358326070 /nfs/dbraw/zinc/32/60/70/358326070.db2.gz NQLADAXTKGRQKD-UHFFFAOYSA-N 1 0 302.334 1.948 20 5 DDBDRO C[NH+](C)CCC[C@H]1CN(c2ncc(F)cc2[N+](=O)[O-])CCO1 ZINC000601199006 358444297 /nfs/dbraw/zinc/44/42/97/358444297.db2.gz MEFZWKJPAPKFFQ-LBPRGKRZSA-N 1 0 312.345 1.676 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000601558666 358600635 /nfs/dbraw/zinc/60/06/35/358600635.db2.gz RLWQDFVGBSQJAC-SWLSCSKDSA-N 1 0 319.361 1.574 20 5 DDBDRO CCC1([NH+]2CCCC2)CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000601743972 358675630 /nfs/dbraw/zinc/67/56/30/358675630.db2.gz GQPCYYMSXCFSIV-UHFFFAOYSA-N 1 0 321.381 1.799 20 5 DDBDRO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000181151804 199257572 /nfs/dbraw/zinc/25/75/72/199257572.db2.gz KJFQPMGMTFAQBS-LLVKDONJSA-N 1 0 306.366 1.733 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H]1CCC[C@@H]1CCO ZINC000348155289 283393888 /nfs/dbraw/zinc/39/38/88/283393888.db2.gz BYFQUVZCXWMXOM-TZMCWYRMSA-N 1 0 321.377 1.982 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@@H]([NH+]2CCCC2)C1 ZINC000602174229 358863253 /nfs/dbraw/zinc/86/32/53/358863253.db2.gz SJTOCHLMYOMNMD-BJHJDKERSA-N 1 0 319.361 1.960 20 5 DDBDRO O=C(N[C@@H]1CC[NH2+]C1)c1c(Br)cccc1[N+](=O)[O-] ZINC000602425870 358968354 /nfs/dbraw/zinc/96/83/54/358968354.db2.gz XFSMTCFHZCGVAA-SSDOTTSWSA-N 1 0 314.139 1.449 20 5 DDBDRO COc1cc(C(=O)N[C@H]2CC[NH2+]C23CCC3)cc([N+](=O)[O-])c1C ZINC000602532833 359031153 /nfs/dbraw/zinc/03/11/53/359031153.db2.gz MNSUHAGDFCKRHT-AWEZNQCLSA-N 1 0 319.361 1.926 20 5 DDBDRO C[NH2+]C[C@@H](C)NC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000602533473 359031828 /nfs/dbraw/zinc/03/18/28/359031828.db2.gz HJYCPGONVGXNKC-SSDOTTSWSA-N 1 0 316.155 1.695 20 5 DDBDRO O=C(NCC12CC(C1)C[NH2+]2)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000602537117 359033496 /nfs/dbraw/zinc/03/34/96/359033496.db2.gz ZKBHVBRDSVIZOP-UHFFFAOYSA-N 1 0 315.373 1.885 20 5 DDBDRO CCCCNC(=O)[C@@H]1CCC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602453996 358987525 /nfs/dbraw/zinc/98/75/25/358987525.db2.gz LTYGUHTXYCDPPR-GFCCVEGCSA-N 1 0 323.397 1.457 20 5 DDBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@@H](C)N1CCOCC1 ZINC000602568911 359048496 /nfs/dbraw/zinc/04/84/96/359048496.db2.gz ZGHDKBZGJKCGTF-ZIAGYGMSSA-N 1 0 307.394 1.836 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CCN1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000602784241 359188773 /nfs/dbraw/zinc/18/87/73/359188773.db2.gz RHYUXCCVFNBEGB-HNNXBMFYSA-N 1 0 321.425 1.763 20 5 DDBDRO CN1CCOC[C@H]1C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602726275 359151719 /nfs/dbraw/zinc/15/17/19/359151719.db2.gz PHCVSYMFGPUVLO-LLVKDONJSA-N 1 0 306.322 1.156 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](C(C)C)[C@H](CO)C(C)C ZINC000602843521 359232552 /nfs/dbraw/zinc/23/25/52/359232552.db2.gz WUAHSFKIACGHIK-UKRRQHHQSA-N 1 0 312.414 1.978 20 5 DDBDRO Cn1ccc(C[NH2+][C@](C)(CO)c2cccc([N+](=O)[O-])c2)cc1=O ZINC000602965893 359329104 /nfs/dbraw/zinc/32/91/04/359329104.db2.gz QNZAWWOXFPMRTQ-MRXNPFEDSA-N 1 0 317.345 1.291 20 5 DDBDRO C[N@H+](CCCC[NH+]1CCCCC1)CCn1ccc([N+](=O)[O-])n1 ZINC000603112120 359409259 /nfs/dbraw/zinc/40/92/59/359409259.db2.gz TVMZVHVAXSQRGR-UHFFFAOYSA-N 1 0 309.414 1.989 20 5 DDBDRO CN(CCn1cc([N+](=O)[O-])ccc1=O)CC1([NH+](C)C)CCC1 ZINC000186938047 200034548 /nfs/dbraw/zinc/03/45/48/200034548.db2.gz LINLPTIFMKSHST-UHFFFAOYSA-N 1 0 308.382 1.173 20 5 DDBDRO Cn1cc(CN2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)c([N+](=O)[O-])n1 ZINC000603431746 359636257 /nfs/dbraw/zinc/63/62/57/359636257.db2.gz YKVOQSKYCCPHQW-UONOGXRCSA-N 1 0 319.340 1.394 20 5 DDBDRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000417774121 283462028 /nfs/dbraw/zinc/46/20/28/283462028.db2.gz YRRQAQGSFYKESF-KBPBESRZSA-N 1 0 320.393 1.954 20 5 DDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000187360505 200101201 /nfs/dbraw/zinc/10/12/01/200101201.db2.gz MZKRXVJRJXXCGE-GFCCVEGCSA-N 1 0 318.377 1.735 20 5 DDBDRO C[C@H]1CN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)[C@@H](C)C[NH2+]1 ZINC000237529635 202272506 /nfs/dbraw/zinc/27/25/06/202272506.db2.gz PYIISFVIGGMCLO-IUCAKERBSA-N 1 0 303.322 1.294 20 5 DDBDRO CCN(CCC[NH+](C)C)C(=O)c1cc(C)cc([N+](=O)[O-])c1N ZINC000188960120 200328440 /nfs/dbraw/zinc/32/84/40/200328440.db2.gz AZYCNGHOFKKGIF-UHFFFAOYSA-N 1 0 308.382 1.899 20 5 DDBDRO CO[C@H]1C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC[C@H]1C ZINC000189318114 200381090 /nfs/dbraw/zinc/38/10/90/200381090.db2.gz UBUONCFZSBKOJG-INWMFGNUSA-N 1 0 324.377 1.691 20 5 DDBDRO C[C@H](NC(=O)CCn1cc([N+](=O)[O-])cn1)C1CC[NH+](C)CC1 ZINC000609583578 360328662 /nfs/dbraw/zinc/32/86/62/360328662.db2.gz QDHNFGYISKRSHG-NSHDSACASA-N 1 0 309.370 1.028 20 5 DDBDRO Cc1cnc(N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c([N+](=O)[O-])c1 ZINC000610284066 360408567 /nfs/dbraw/zinc/40/85/67/360408567.db2.gz MSGHWZFQTSSVBK-JSGCOSHPSA-N 1 0 306.366 1.334 20 5 DDBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000611296529 360692986 /nfs/dbraw/zinc/69/29/86/360692986.db2.gz OBTRIUBXJWHWSQ-HNNXBMFYSA-N 1 0 320.393 1.989 20 5 DDBDRO CCC[NH2+]CCNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000193344861 201035865 /nfs/dbraw/zinc/03/58/65/201035865.db2.gz NOMSAAKLFLLFQM-UHFFFAOYSA-N 1 0 321.786 1.526 20 5 DDBDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000193359076 201037301 /nfs/dbraw/zinc/03/73/01/201037301.db2.gz ZYLHPDUEVNGNPL-LLVKDONJSA-N 1 0 322.365 1.690 20 5 DDBDRO CNc1c(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)cccc1[N+](=O)[O-] ZINC000613233718 361340511 /nfs/dbraw/zinc/34/05/11/361340511.db2.gz XIWSRVOAGLCZLN-LBPRGKRZSA-N 1 0 318.377 1.851 20 5 DDBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000193651105 201096359 /nfs/dbraw/zinc/09/63/59/201096359.db2.gz IWAZEAFHFGTYAG-LLVKDONJSA-N 1 0 322.365 1.499 20 5 DDBDRO COCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2[O-])C1 ZINC000613938166 361636334 /nfs/dbraw/zinc/63/63/34/361636334.db2.gz QHVUZRSLZZKFAB-LLVKDONJSA-N 1 0 323.349 1.141 20 5 DDBDRO C[NH+](C)CCCNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000292924985 223310951 /nfs/dbraw/zinc/31/09/51/223310951.db2.gz IDRKBMWHAZIFAC-UHFFFAOYSA-N 1 0 321.786 1.478 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000281965743 216663691 /nfs/dbraw/zinc/66/36/91/216663691.db2.gz NKHUZRNRTMOKAZ-GFCCVEGCSA-N 1 0 309.370 1.077 20 5 DDBDRO COc1ccc(OCC[N@@H+]2CCC[C@H](O)CC2)c([N+](=O)[O-])c1 ZINC000293131635 223410479 /nfs/dbraw/zinc/41/04/79/223410479.db2.gz MXEYIXUNUVRPPJ-LBPRGKRZSA-N 1 0 310.350 1.829 20 5 DDBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000288184252 220003767 /nfs/dbraw/zinc/00/37/67/220003767.db2.gz BSBPXEHBEWNVLH-YPMHNXCESA-N 1 0 318.377 1.876 20 5 DDBDRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000275177018 212174643 /nfs/dbraw/zinc/17/46/43/212174643.db2.gz VNZRDGDIWGEZQL-RISCZKNCSA-N 1 0 305.378 1.987 20 5 DDBDRO CC1=CC[N@H+](CCNC(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])CC1 ZINC000349969037 284122656 /nfs/dbraw/zinc/12/26/56/284122656.db2.gz FHCVEWHCCYGBSE-UHFFFAOYSA-N 1 0 321.381 1.823 20 5 DDBDRO [NH3+]C[C@H]1CCC[C@H]1C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000261983401 203167538 /nfs/dbraw/zinc/16/75/38/203167538.db2.gz PLUNRJBBXAVSJX-VXGBXAGGSA-N 1 0 306.366 1.498 20 5 DDBDRO Cc1n[nH]cc1C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000093534887 193266654 /nfs/dbraw/zinc/26/66/54/193266654.db2.gz BWRWCAWEZPUBBM-GFCCVEGCSA-N 1 0 302.338 1.708 20 5 DDBDRO NC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000264577158 204006223 /nfs/dbraw/zinc/00/62/23/204006223.db2.gz ITHNVOLSRVZSMM-LLVKDONJSA-N 1 0 319.365 1.153 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000264595003 204016925 /nfs/dbraw/zinc/01/69/25/204016925.db2.gz AYWYXVQJSNDVTL-LLVKDONJSA-N 1 0 319.361 1.818 20 5 DDBDRO C[C@@H](O)C1CC[NH+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000264731285 204111642 /nfs/dbraw/zinc/11/16/42/204111642.db2.gz POJNKIGCSORZQE-DOMZBBRYSA-N 1 0 324.377 1.427 20 5 DDBDRO CCOC[C@H](O)C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000264978425 204319447 /nfs/dbraw/zinc/31/94/47/204319447.db2.gz KATWIHWJTLUKCF-OAHLLOKOSA-N 1 0 309.366 1.114 20 5 DDBDRO C[C@@H](CNC(=O)c1cc(F)ccc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000265047741 204364434 /nfs/dbraw/zinc/36/44/34/204364434.db2.gz BBQSAQRQQJHVFB-NSHDSACASA-N 1 0 324.356 1.100 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000351494184 284342879 /nfs/dbraw/zinc/34/28/79/284342879.db2.gz NTQKFTYUGUMKJM-FPMFFAJLSA-N 1 0 318.377 1.511 20 5 DDBDRO Cc1ccc(C[N@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000266480783 205376902 /nfs/dbraw/zinc/37/69/02/205376902.db2.gz SWXUSVXOTYHJJO-HNNXBMFYSA-N 1 0 304.350 1.593 20 5 DDBDRO C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1Cc2ccccc2C1 ZINC000266504457 205395089 /nfs/dbraw/zinc/39/50/89/205395089.db2.gz AGTQWGMXVJIRTA-INIZCTEOSA-N 1 0 316.361 1.251 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C2(c3ccccc3)CCC2)c1 ZINC000266630789 205488184 /nfs/dbraw/zinc/48/81/84/205488184.db2.gz ITATVOXCTLIBQF-HNNXBMFYSA-N 1 0 316.361 1.821 20 5 DDBDRO CNC(=O)c1ccc(N(C)[C@H]2CC[N@H+](C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000267599238 206164792 /nfs/dbraw/zinc/16/47/92/206164792.db2.gz JBFABSXIDMFDPH-YPMHNXCESA-N 1 0 320.393 1.731 20 5 DDBDRO C[C@@H](CC[NH3+])NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000336818314 249236493 /nfs/dbraw/zinc/23/64/93/249236493.db2.gz VACLXOFDCXAZIX-ZETCQYMHSA-N 1 0 307.759 1.264 20 5 DDBDRO Cc1ccc(S(=O)(=O)NC[C@@H]2CCCC[NH2+]2)cc1[N+](=O)[O-] ZINC000044492925 183414562 /nfs/dbraw/zinc/41/45/62/183414562.db2.gz WVSCSGWHPNNWHP-NSHDSACASA-N 1 0 313.379 1.324 20 5 DDBDRO COCCN(CC[NH+](C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000104771899 194037272 /nfs/dbraw/zinc/03/72/72/194037272.db2.gz CNDMKVZBGNPJRW-UHFFFAOYSA-N 1 0 310.354 1.637 20 5 DDBDRO Cc1cc(C(=O)NC[C@H](C)[N@H+](C)C2CC2)c(N)c([N+](=O)[O-])c1 ZINC000104897064 194051306 /nfs/dbraw/zinc/05/13/06/194051306.db2.gz MJFPIJRNQITTNS-JTQLQIEISA-N 1 0 306.366 1.698 20 5 DDBDRO CC(C)[C@@H](CCO)[NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000273937980 211193116 /nfs/dbraw/zinc/19/31/16/211193116.db2.gz CYXPUKZINAWZAG-BXUZGUMPSA-N 1 0 309.366 1.918 20 5 DDBDRO Cc1c(C[N@H+]2CC[C@H]3OCCN(C)[C@H]3C2)cccc1[N+](=O)[O-] ZINC000284699811 218139217 /nfs/dbraw/zinc/13/92/17/218139217.db2.gz IJXQQJVAFCZVEJ-JKSUJKDBSA-N 1 0 305.378 1.808 20 5 DDBDRO CC[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C[C@@H](C)O ZINC000105825380 194138676 /nfs/dbraw/zinc/13/86/76/194138676.db2.gz CQQJVZJJQAKOOM-UKRRQHHQSA-N 1 0 307.394 1.872 20 5 DDBDRO CCOCC[NH+]1CCN(Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000105830861 194140164 /nfs/dbraw/zinc/14/01/64/194140164.db2.gz BYAZKLMFOLMBOD-UHFFFAOYSA-N 1 0 323.393 1.758 20 5 DDBDRO C[C@@H]1CCC[C@](CNC(=O)c2cc([N+](=O)[O-])n[nH]2)([NH+](C)C)C1 ZINC000285182692 218323600 /nfs/dbraw/zinc/32/36/00/218323600.db2.gz STZCXAKMFNZYEJ-YGRLFVJLSA-N 1 0 309.370 1.558 20 5 DDBDRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000285233057 218343638 /nfs/dbraw/zinc/34/36/38/218343638.db2.gz YAILYDZEXMKISQ-QWRGUYRKSA-N 1 0 323.397 1.804 20 5 DDBDRO CC[N@@H+]1CCCN(C(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000110007025 194303071 /nfs/dbraw/zinc/30/30/71/194303071.db2.gz KRQTYFVJTXQOKC-UHFFFAOYSA-N 1 0 306.366 1.561 20 5 DDBDRO O=C(Cn1ccc([N+](=O)[O-])n1)NCCCCC[NH+]1CCCCC1 ZINC000110439349 194330355 /nfs/dbraw/zinc/33/03/55/194330355.db2.gz QCHITQUKZOWHDZ-UHFFFAOYSA-N 1 0 323.397 1.564 20 5 DDBDRO Cc1cc(C(=O)NCC2([NH3+])CCCCC2)c(N)c([N+](=O)[O-])c1 ZINC000269119264 207255416 /nfs/dbraw/zinc/25/54/16/207255416.db2.gz XVPXSSORNXKOEE-UHFFFAOYSA-N 1 0 306.366 1.877 20 5 DDBDRO CC[C@H](C)[N@H+](C)CCNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000066126254 184391012 /nfs/dbraw/zinc/39/10/12/184391012.db2.gz FBXBEWGKCADHAP-JTQLQIEISA-N 1 0 319.365 1.931 20 5 DDBDRO C[NH2+][C@H](C)Cc1noc(-c2cc(OC)c(F)cc2[N+](=O)[O-])n1 ZINC000414640351 533003319 /nfs/dbraw/zinc/00/33/19/533003319.db2.gz GQHXLLBJCSCBQQ-SSDOTTSWSA-N 1 0 310.285 1.943 20 5 DDBDRO C[NH2+][C@H](C)Cc1noc(-c2cc3c(c([N+](=O)[O-])c2)OCO3)n1 ZINC000414636160 533003694 /nfs/dbraw/zinc/00/36/94/533003694.db2.gz AGQOADIIONFGRQ-SSDOTTSWSA-N 1 0 306.278 1.524 20 5 DDBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000157305927 197177926 /nfs/dbraw/zinc/17/79/26/197177926.db2.gz SCUBNYFGNCYQMZ-OCCSQVGLSA-N 1 0 321.381 1.124 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[NH2+][C@H](C)[C@@H]1C ZINC000436059031 533138363 /nfs/dbraw/zinc/13/83/63/533138363.db2.gz JUSSJGLNJLAWOE-MNOVXSKESA-N 1 0 322.365 1.224 20 5 DDBDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2[nH]ncc2[N+](=O)[O-])C1 ZINC000154925132 197006103 /nfs/dbraw/zinc/00/61/03/197006103.db2.gz IYGCODNEPSMXDP-LLVKDONJSA-N 1 0 323.397 1.948 20 5 DDBDRO O=C(COc1ccccc1[N+](=O)[O-])N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000289344528 220897802 /nfs/dbraw/zinc/89/78/02/220897802.db2.gz XILZQJVBEPFFRV-INIZCTEOSA-N 1 0 319.361 1.576 20 5 DDBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000289509044 221028414 /nfs/dbraw/zinc/02/84/14/221028414.db2.gz AFDVZLDJIPBGEQ-OLZOCXBDSA-N 1 0 319.361 1.432 20 5 DDBDRO NC(=O)c1ccc(C[NH2+][C@@H](CO)C2CCCC2)c([N+](=O)[O-])c1 ZINC000289635431 221118366 /nfs/dbraw/zinc/11/83/66/221118366.db2.gz UNAZAOZXSXSTAT-ZDUSSCGKSA-N 1 0 307.350 1.334 20 5 DDBDRO CCS(=O)(=O)CCC[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000414539439 224349912 /nfs/dbraw/zinc/34/99/12/224349912.db2.gz DPOHSEKARCCHGH-UHFFFAOYSA-N 1 0 316.379 1.518 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NCC[C@H]1CCC[NH2+]1 ZINC000414654363 224368533 /nfs/dbraw/zinc/36/85/33/224368533.db2.gz JACGODRQMYAQDR-SNVBAGLBSA-N 1 0 308.338 1.867 20 5 DDBDRO Cn1cc(CNCC(C)(C)[NH3+])c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000414800814 224397414 /nfs/dbraw/zinc/39/74/14/224397414.db2.gz ISYFMTKSQLVJSE-UHFFFAOYSA-N 1 0 303.366 1.822 20 5 DDBDRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000122071403 195396881 /nfs/dbraw/zinc/39/68/81/195396881.db2.gz LJFZANNDFFNQDM-DGCLKSJQSA-N 1 0 306.366 1.735 20 5 DDBDRO CC(C)[C@](C)(CO)[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000352908377 285379911 /nfs/dbraw/zinc/37/99/11/285379911.db2.gz GXNHEMFBSQESRJ-INIZCTEOSA-N 1 0 321.377 1.481 20 5 DDBDRO COc1ccc(C(=O)N2CC[C@H](C)[C@H]([NH3+])[C@@H]2C)cc1[N+](=O)[O-] ZINC000297376208 533311239 /nfs/dbraw/zinc/31/12/39/533311239.db2.gz MGAHEUQETOUUHE-BHDSKKPTSA-N 1 0 307.350 1.801 20 5 DDBDRO COc1cccc(C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1[N+](=O)[O-] ZINC000457364299 533402075 /nfs/dbraw/zinc/40/20/75/533402075.db2.gz AZCRKBFEZMDCBD-GHMZBOCLSA-N 1 0 305.334 1.285 20 5 DDBDRO Cc1n[nH]c(C(=O)NC[C@@H](C)C[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000299556162 533665248 /nfs/dbraw/zinc/66/52/48/533665248.db2.gz SDJUZBCZXFSLAN-SNVBAGLBSA-N 1 0 309.370 1.478 20 5 DDBDRO Cc1n[nH]c(C(=O)NCC2([NH+](C)C)CCCCC2)c1[N+](=O)[O-] ZINC000299549172 533665385 /nfs/dbraw/zinc/66/53/85/533665385.db2.gz QNBIRRPURAEGII-UHFFFAOYSA-N 1 0 309.370 1.621 20 5 DDBDRO COC(=O)c1cc(C)nc(N2CC[C@@H](C)C[C@@H]2C[NH3+])c1[N+](=O)[O-] ZINC000420263568 291998524 /nfs/dbraw/zinc/99/85/24/291998524.db2.gz UDBVYLCCAOYEFL-MWLCHTKSSA-N 1 0 322.365 1.648 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000570279877 304403844 /nfs/dbraw/zinc/40/38/44/304403844.db2.gz PPJXDIYKSLTMBW-ZJUUUORDSA-N 1 0 322.365 1.392 20 5 DDBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC000084439794 407088963 /nfs/dbraw/zinc/08/89/63/407088963.db2.gz JYKXYRVIIRXMEX-VIFPVBQESA-N 1 0 318.782 1.773 20 5 DDBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000090554574 407169433 /nfs/dbraw/zinc/16/94/33/407169433.db2.gz RXXQAWZWGBXOIU-CFVMTHIKSA-N 1 0 321.377 1.502 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000123141653 407320552 /nfs/dbraw/zinc/32/05/52/407320552.db2.gz SZVPXXLJKOFHKW-NSHDSACASA-N 1 0 311.386 1.425 20 5 DDBDRO CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCOC1 ZINC000106880363 407364124 /nfs/dbraw/zinc/36/41/24/407364124.db2.gz LVHTZWPXJAZFBE-SNVBAGLBSA-N 1 0 313.741 1.907 20 5 DDBDRO C[N@@H+]1CCC[C@H](CNC(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000108566545 407388333 /nfs/dbraw/zinc/38/83/33/407388333.db2.gz WZPLDULUABCJAH-CYBMUJFWSA-N 1 0 306.366 1.736 20 5 DDBDRO CNC(=O)[C@@H]1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000111265911 407403744 /nfs/dbraw/zinc/40/37/44/407403744.db2.gz IMYRYRYBWOLBGF-GFCCVEGCSA-N 1 0 307.350 1.432 20 5 DDBDRO CN1CC[NH+]([C@H]2CCCCN(c3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000127027289 407425958 /nfs/dbraw/zinc/42/59/58/407425958.db2.gz FXPCDCBJBWTJIZ-HNNXBMFYSA-N 1 0 319.409 1.596 20 5 DDBDRO Cc1ccc([C@H](C)[NH2+]C[C@H](O)CN2CCOCC2)cc1[N+](=O)[O-] ZINC000181830921 306700460 /nfs/dbraw/zinc/70/04/60/306700460.db2.gz XGFWDNLRUCQRMJ-ZFWWWQNUSA-N 1 0 323.393 1.247 20 5 DDBDRO C[C@H]1C[C@H](N(C)C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC[N@@H+]1C ZINC000127574513 407442187 /nfs/dbraw/zinc/44/21/87/407442187.db2.gz HOTGFEGXIAZZMS-GXSJLCMTSA-N 1 0 324.356 1.871 20 5 DDBDRO [NH3+]CCN(CCc1ccccc1)CCn1ccc([N+](=O)[O-])n1 ZINC000261690038 407580650 /nfs/dbraw/zinc/58/06/50/407580650.db2.gz DZAIYGFEQFAHQB-UHFFFAOYSA-N 1 0 303.366 1.295 20 5 DDBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000178632991 407519291 /nfs/dbraw/zinc/51/92/91/407519291.db2.gz OTVMHRMIFUDWKR-CHWSQXEVSA-N 1 0 318.377 1.702 20 5 DDBDRO C[C@@H]([NH2+]CC(=O)NCC(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000178647110 407528863 /nfs/dbraw/zinc/52/88/63/407528863.db2.gz HYTXBTWEEIIIAI-MRVPVSSYSA-N 1 0 305.256 1.924 20 5 DDBDRO Cc1ccc(NC(=O)Cn2ccc([N+](=O)[O-])n2)c(C[NH+](C)C)c1 ZINC000113912277 407530655 /nfs/dbraw/zinc/53/06/55/407530655.db2.gz FPAAPSHBAYYECA-UHFFFAOYSA-N 1 0 317.349 1.800 20 5 DDBDRO O=C(Cc1ccccc1[N+](=O)[O-])N1CCC2(C1)CC[NH2+]CC2 ZINC000261811067 407622298 /nfs/dbraw/zinc/62/22/98/407622298.db2.gz WXTRMTOGQYVVQP-UHFFFAOYSA-N 1 0 303.362 1.739 20 5 DDBDRO Cn1c(C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)ccc1[N+](=O)[O-] ZINC000261841860 407637800 /nfs/dbraw/zinc/63/78/00/407637800.db2.gz CROIPGJCQQHYPB-LBPRGKRZSA-N 1 0 306.366 1.538 20 5 DDBDRO CC[NH+]1CCN([C@@H]2CCN(c3cc(C)c([N+](=O)[O-])cn3)C2)CC1 ZINC000266849205 407654155 /nfs/dbraw/zinc/65/41/55/407654155.db2.gz QLNZZVLQAASNNO-CQSZACIVSA-N 1 0 319.409 1.514 20 5 DDBDRO Cc1ccc(S(=O)(=O)N[C@H]2CC[NH2+][C@@H](C)C2)cc1[N+](=O)[O-] ZINC000235719653 407719264 /nfs/dbraw/zinc/71/92/64/407719264.db2.gz URWFYEOWQBGWOY-QWRGUYRKSA-N 1 0 313.379 1.322 20 5 DDBDRO CCc1ccc(C(=O)NC[C@@](C)(O)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000153091566 407750501 /nfs/dbraw/zinc/75/05/01/407750501.db2.gz MDNDHTDNABBCJS-OAHLLOKOSA-N 1 0 309.366 1.200 20 5 DDBDRO C[NH2+]C1CCN(S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])CC1 ZINC000237102466 407795742 /nfs/dbraw/zinc/79/57/42/407795742.db2.gz HDGMODSUSBHLIB-UHFFFAOYSA-N 1 0 313.379 1.276 20 5 DDBDRO COc1cc(C(=O)NC[C@@H]2CCCC[NH2+]2)c([N+](=O)[O-])cc1OC ZINC000237259875 407810503 /nfs/dbraw/zinc/81/05/03/407810503.db2.gz FMYOWCZTYYPNSW-JTQLQIEISA-N 1 0 323.349 1.484 20 5 DDBDRO C[NH2+]C[C@H](C)CNS(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000133225987 407824970 /nfs/dbraw/zinc/82/49/70/407824970.db2.gz AQYZKIDFIAUANL-VIFPVBQESA-N 1 0 301.368 1.037 20 5 DDBDRO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000237993734 407865036 /nfs/dbraw/zinc/86/50/36/407865036.db2.gz WNIJAWSUACVMAJ-GWCFXTLKSA-N 1 0 309.391 1.931 20 5 DDBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000173715084 407895363 /nfs/dbraw/zinc/89/53/63/407895363.db2.gz KNMYGBMURUTIJY-ZDUSSCGKSA-N 1 0 306.366 1.878 20 5 DDBDRO C[C@H]1C[C@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000262876054 407960397 /nfs/dbraw/zinc/96/03/97/407960397.db2.gz MWRMMWOAIQMUNM-NWDGAFQWSA-N 1 0 307.350 1.620 20 5 DDBDRO CCOc1ccc(C(=O)N[C@H]2CC[NH2+]C[C@@H]2C)cc1[N+](=O)[O-] ZINC000262891114 407964035 /nfs/dbraw/zinc/96/40/35/407964035.db2.gz WXHCBAXOWIMNLE-JQWIXIFHSA-N 1 0 307.350 1.721 20 5 DDBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CC[NH+]2CCC1CC2 ZINC000188845325 407980120 /nfs/dbraw/zinc/98/01/20/407980120.db2.gz UVOQGKYHTRCYLU-UHFFFAOYSA-N 1 0 321.402 1.994 20 5 DDBDRO C[C@H]1[NH2+]CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)[C@@H]1C ZINC000262741874 407915150 /nfs/dbraw/zinc/91/51/50/407915150.db2.gz DXTLNTSYLSMOFW-RKDXNWHRSA-N 1 0 303.322 1.294 20 5 DDBDRO C[N@@H+]1CCC[C@H]1CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000134624426 407918161 /nfs/dbraw/zinc/91/81/61/407918161.db2.gz OVTZDWVUJZGSED-ZDUSSCGKSA-N 1 0 316.361 1.829 20 5 DDBDRO C[C@H]1CN(C(=O)CSc2ccc([N+](=O)[O-])cc2)C[C@H](C)[NH2+]1 ZINC000153877673 407924007 /nfs/dbraw/zinc/92/40/07/407924007.db2.gz OAULAVTVVLSANB-QWRGUYRKSA-N 1 0 309.391 1.896 20 5 DDBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)COc3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000272577426 407991636 /nfs/dbraw/zinc/99/16/36/407991636.db2.gz GJQORMICQLVFOZ-SWLSCSKDSA-N 1 0 319.361 1.526 20 5 DDBDRO C[C@@]1([NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CCO[C@H]1C1CC1 ZINC000273089673 408053297 /nfs/dbraw/zinc/05/32/97/408053297.db2.gz SGROLSBFJMCHEM-GOEBONIOSA-N 1 0 319.361 1.741 20 5 DDBDRO C[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C[C@H]1CCC[C@@H]1O ZINC000182256751 408107287 /nfs/dbraw/zinc/10/72/87/408107287.db2.gz NZUIBEWWRDPCIU-IPYPFGDCSA-N 1 0 324.377 1.427 20 5 DDBDRO C[NH+](C)C1CN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])C1 ZINC000273378659 408174565 /nfs/dbraw/zinc/17/45/65/408174565.db2.gz YNSOLSGQWIRCPD-UHFFFAOYSA-N 1 0 304.350 1.237 20 5 DDBDRO COCC[NH+]1CCC(NC(=O)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000141605888 408179886 /nfs/dbraw/zinc/17/98/86/408179886.db2.gz RGRPFWDTHWUQME-UHFFFAOYSA-N 1 0 321.377 1.744 20 5 DDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000190201352 408188489 /nfs/dbraw/zinc/18/84/89/408188489.db2.gz GKUMNAZMSCZYPM-JTQLQIEISA-N 1 0 304.350 1.391 20 5 DDBDRO CO[C@@H](C)[C@H](C)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000273417190 408190458 /nfs/dbraw/zinc/19/04/58/408190458.db2.gz ISKYPNOSDMPMSE-QWRGUYRKSA-N 1 0 316.379 1.382 20 5 DDBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000156330851 408252466 /nfs/dbraw/zinc/25/24/66/408252466.db2.gz BNXIGMSSJDNWTJ-MNOVXSKESA-N 1 0 311.363 1.110 20 5 DDBDRO CN(C[C@@H]1CC[N@H+](C)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000273674896 408285489 /nfs/dbraw/zinc/28/54/89/408285489.db2.gz YDVNYZKTOZYGDU-LLVKDONJSA-N 1 0 313.379 1.167 20 5 DDBDRO O=[N+]([O-])c1cnn(CCN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000246556327 408290397 /nfs/dbraw/zinc/29/03/97/408290397.db2.gz KSAGSJCWHRTRND-XJKSGUPXSA-N 1 0 319.409 1.740 20 5 DDBDRO C[C@H]1CCC[N@@H+]1C1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000134708993 162085262 /nfs/dbraw/zinc/08/52/62/162085262.db2.gz IZMWMRJFHTVUOP-ZDUSSCGKSA-N 1 0 307.398 1.740 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000172172669 162261713 /nfs/dbraw/zinc/26/17/13/162261713.db2.gz BTTTXDGTUGSPLV-NSHDSACASA-N 1 0 307.350 1.627 20 5 DDBDRO C[NH+](C)[C@@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])Cc1ccccc1 ZINC000158946623 408370979 /nfs/dbraw/zinc/37/09/79/408370979.db2.gz VFXVVWUATPWWTL-GFCCVEGCSA-N 1 0 317.349 1.221 20 5 DDBDRO C[C@@H]1C[C@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2N)CC[N@@H+]1C ZINC000274660454 408486158 /nfs/dbraw/zinc/48/61/58/408486158.db2.gz YSMGRNGSUQXUFB-GHMZBOCLSA-N 1 0 306.366 1.732 20 5 DDBDRO CC[C@@](C)([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)C(N)=O ZINC000177133026 408530346 /nfs/dbraw/zinc/53/03/46/408530346.db2.gz TYOLXWLYSNZOET-OAHLLOKOSA-N 1 0 322.365 1.475 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000177213530 408552746 /nfs/dbraw/zinc/55/27/46/408552746.db2.gz CNXGJJXMYGKGBZ-JQWIXIFHSA-N 1 0 321.381 1.231 20 5 DDBDRO O=c1cc2c(n[nH]1)CC[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C2 ZINC000274943389 408572346 /nfs/dbraw/zinc/57/23/46/408572346.db2.gz FTNHLXGXWPGXAB-UHFFFAOYSA-N 1 0 316.317 1.115 20 5 DDBDRO C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000248552610 408583997 /nfs/dbraw/zinc/58/39/97/408583997.db2.gz JCPICLMJHBKONE-MRVWCRGKSA-N 1 0 310.398 1.957 20 5 DDBDRO COCC[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000184323976 408590315 /nfs/dbraw/zinc/59/03/15/408590315.db2.gz BZHKHBCYPHHXNA-UHFFFAOYSA-N 1 0 322.365 1.018 20 5 DDBDRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)COc3cccc([N+](=O)[O-])c3)C[C@H]12 ZINC000248645735 408608974 /nfs/dbraw/zinc/60/89/74/408608974.db2.gz SKBVMJARGUXAIV-LEWSCRJBSA-N 1 0 305.334 1.169 20 5 DDBDRO CN(CC[N@H+](C)C1CC1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000248674784 408614096 /nfs/dbraw/zinc/61/40/96/408614096.db2.gz CMFKGAQTQTZNQR-OAHLLOKOSA-N 1 0 323.393 1.361 20 5 DDBDRO O=C([C@@H]1CCC[NH2+]1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000161976916 408657320 /nfs/dbraw/zinc/65/73/20/408657320.db2.gz ACUJZBGCNCKHRO-HNNXBMFYSA-N 1 0 319.361 1.717 20 5 DDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000193398516 408715387 /nfs/dbraw/zinc/71/53/87/408715387.db2.gz PKMYYUQZIJFBRR-KOLCDFICSA-N 1 0 313.379 1.180 20 5 DDBDRO CCn1c(CC[NH3+])nnc1Sc1nc(C)ccc1[N+](=O)[O-] ZINC000178245284 408793063 /nfs/dbraw/zinc/79/30/63/408793063.db2.gz QYPMDFXRPJGLJT-UHFFFAOYSA-N 1 0 308.367 1.562 20 5 DDBDRO CCc1n[nH]c(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000178001139 408755108 /nfs/dbraw/zinc/75/51/08/408755108.db2.gz BQXDVDZVXPOLJA-ZYHUDNBSSA-N 1 0 321.381 1.437 20 5 DDBDRO C[C@]1(O)CCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000178000935 408755514 /nfs/dbraw/zinc/75/55/14/408755514.db2.gz YONNULMDCWVEPG-ZDUSSCGKSA-N 1 0 313.741 1.643 20 5 DDBDRO Cc1ccc(S(=O)(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC000250920871 408780043 /nfs/dbraw/zinc/78/00/43/408780043.db2.gz NBGFUDNWZRUNMA-GHMZBOCLSA-N 1 0 313.379 1.274 20 5 DDBDRO CC[C@@H](CO)[NH+]1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000276365546 408843463 /nfs/dbraw/zinc/84/34/63/408843463.db2.gz ZUZHJNQHTKUQGF-ZDUSSCGKSA-N 1 0 311.357 1.622 20 5 DDBDRO CCN(CCC[NH+](CC)CC)c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290927097 408854470 /nfs/dbraw/zinc/85/44/70/408854470.db2.gz JDSQRBPAGAPAAL-UHFFFAOYSA-N 1 0 323.397 1.647 20 5 DDBDRO CC[NH+](CC)[C@H](C)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000192719597 163233829 /nfs/dbraw/zinc/23/38/29/163233829.db2.gz GEWWHVZQCMCIAP-LLVKDONJSA-N 1 0 315.395 1.603 20 5 DDBDRO COc1cc(C(=O)N2CC[NH2+][C@@H](C)[C@H]2C)cc([N+](=O)[O-])c1OC ZINC000277434363 408940079 /nfs/dbraw/zinc/94/00/79/408940079.db2.gz CULVNWUKXWCPQP-VHSXEESVSA-N 1 0 323.349 1.434 20 5 DDBDRO COc1cc(C(=O)NC[C@H]2CCC[N@@H+]2C)c([N+](=O)[O-])cc1OC ZINC000194747249 163295877 /nfs/dbraw/zinc/29/58/77/163295877.db2.gz DXWIZJDRNLQLCR-SNVBAGLBSA-N 1 0 323.349 1.436 20 5 DDBDRO COc1ccc(OCC[NH2+][C@H]2CCOC[C@H]2C)c([N+](=O)[O-])c1 ZINC000277445362 408942509 /nfs/dbraw/zinc/94/25/09/408942509.db2.gz LPNBPAWEOCEAQW-YPMHNXCESA-N 1 0 310.350 1.997 20 5 DDBDRO CCS(=O)(=O)C[C@@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000231884422 163350922 /nfs/dbraw/zinc/35/09/22/163350922.db2.gz HEOCYYWIWBIMKV-SNVBAGLBSA-N 1 0 300.380 1.816 20 5 DDBDRO CC(C)[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000291992230 408957660 /nfs/dbraw/zinc/95/76/60/408957660.db2.gz WXKLQIDYYJDNME-KBPBESRZSA-N 1 0 324.377 1.834 20 5 DDBDRO CC[N@@H+]1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@H](C)C1 ZINC000286392599 408976642 /nfs/dbraw/zinc/97/66/42/408976642.db2.gz HAZWBTDMWYBFJD-GFCCVEGCSA-N 1 0 321.377 1.987 20 5 DDBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000286630299 408993118 /nfs/dbraw/zinc/99/31/18/408993118.db2.gz AVRIPBJJNKZIAW-MNOVXSKESA-N 1 0 307.354 1.027 20 5 DDBDRO COCC[N@@H+]1CC[C@H](NC(=O)c2c(C)cccc2[N+](=O)[O-])C1 ZINC000277926126 409036441 /nfs/dbraw/zinc/03/64/41/409036441.db2.gz HJITYOKZFJMPDL-LBPRGKRZSA-N 1 0 307.350 1.354 20 5 DDBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000293521406 409130523 /nfs/dbraw/zinc/13/05/23/409130523.db2.gz UIWFATFESYZJPU-CHWSQXEVSA-N 1 0 318.377 1.607 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)n1 ZINC000287723355 409082319 /nfs/dbraw/zinc/08/23/19/409082319.db2.gz FKUQSNPAWRNZQE-VHSXEESVSA-N 1 0 320.349 1.814 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NCC2=CC[N@H+](C)CC2)c1 ZINC000283207998 409111510 /nfs/dbraw/zinc/11/15/10/409111510.db2.gz RIWFPPZWBAYPBM-UHFFFAOYSA-N 1 0 319.361 1.985 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000288006410 409129660 /nfs/dbraw/zinc/12/96/60/409129660.db2.gz BYYHDDNHMKIDKU-QMMMGPOBSA-N 1 0 310.310 1.491 20 5 DDBDRO COC(=O)c1cc(NC(=O)[C@@H]2CCC[NH2+][C@@H]2C)cc([N+](=O)[O-])c1 ZINC000288875988 409192411 /nfs/dbraw/zinc/19/24/11/409192411.db2.gz ZBDOLMAGKADFEU-NOZJJQNGSA-N 1 0 321.333 1.708 20 5 DDBDRO C[N@@H+]1CC[C@]2(CCN(C(=O)c3cccc([N+](=O)[O-])c3N)C2)C1 ZINC000293861858 409195986 /nfs/dbraw/zinc/19/59/86/409195986.db2.gz KQOLGHFJYFBELY-HNNXBMFYSA-N 1 0 304.350 1.345 20 5 DDBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000279486159 409224319 /nfs/dbraw/zinc/22/43/19/409224319.db2.gz RENRAPWRKUQVIZ-TVQRCGJNSA-N 1 0 324.356 1.728 20 5 DDBDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)CNc3ccccc3[N+](=O)[O-])C2)C1 ZINC000293919228 409206859 /nfs/dbraw/zinc/20/68/59/409206859.db2.gz PFPIDGCDDYQZME-MRXNPFEDSA-N 1 0 318.377 1.561 20 5 DDBDRO C[NH+]1CCN(CCNc2ccc([N+](=O)[O-])c3cnccc23)CC1 ZINC000280260655 409280871 /nfs/dbraw/zinc/28/08/71/409280871.db2.gz CCDDMILFZBTARL-UHFFFAOYSA-N 1 0 315.377 1.802 20 5 DDBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H](CO)[C@H]2CCOC2)c(Cl)c1 ZINC000280427136 409310917 /nfs/dbraw/zinc/31/09/17/409310917.db2.gz ZUXHPEDLBNTHKG-NWDGAFQWSA-N 1 0 314.769 1.983 20 5 DDBDRO O=C(CNc1ccccc1[N+](=O)[O-])N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000290159922 409311361 /nfs/dbraw/zinc/31/13/61/409311361.db2.gz NXKBDCSSAMVQPL-NEPJUHHUSA-N 1 0 304.350 1.075 20 5 DDBDRO CN(C)CC[N@H+](C)CCCNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000290225738 409326976 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1.930 20 5 DDBDRO Cc1cn(C[C@H](O)C[N@@H+]2CCc3ccccc3C2)nc1[N+](=O)[O-] ZINC000362330340 164156434 /nfs/dbraw/zinc/15/64/34/164156434.db2.gz PSJLOTRDHNHEIG-OAHLLOKOSA-N 1 0 316.361 1.519 20 5 DDBDRO C[N@@H+]1CC[C@H]2OCCN(Cc3cc([O-])ccc3[N+](=O)[O-])[C@H]2C1 ZINC000407999006 164193341 /nfs/dbraw/zinc/19/33/41/164193341.db2.gz SORWLXFFJBWCFM-LSDHHAIUSA-N 1 0 307.350 1.205 20 5 DDBDRO CC[N@@H+]1CCCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000303971317 409555420 /nfs/dbraw/zinc/55/54/20/409555420.db2.gz DITLNKOXAYNELE-HNNXBMFYSA-N 1 0 323.393 1.362 20 5 DDBDRO Cn1nc([N+](=O)[O-])cc1C(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000356736002 409559086 /nfs/dbraw/zinc/55/90/86/409559086.db2.gz ZYPOITWJMCHLNW-UHFFFAOYSA-N 1 0 323.397 1.522 20 5 DDBDRO CC(C)O[C@@H]1C[C@H]([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)C1(C)C ZINC000296389183 409523872 /nfs/dbraw/zinc/52/38/72/409523872.db2.gz UEUBRADITYTABA-UONOGXRCSA-N 1 0 323.393 1.938 20 5 DDBDRO CS(=O)(=O)c1ccc(N(CC[NH3+])CC2CC2)c([N+](=O)[O-])c1 ZINC000348934118 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410189827 /nfs/dbraw/zinc/18/98/27/410189827.db2.gz GJFLINIBJVSNQG-UHTWSYAYSA-N 1 0 321.377 1.781 20 5 DDBDRO COc1cc(C(=O)NC[C@@H](C)[NH+](C)C)c([N+](=O)[O-])cc1OC ZINC000298367140 410199243 /nfs/dbraw/zinc/19/92/43/410199243.db2.gz SNDBCCTXTPFGAW-SECBINFHSA-N 1 0 311.338 1.292 20 5 DDBDRO Nc1nc(N[C@@H]2CC[N@H+](Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000298746872 410379178 /nfs/dbraw/zinc/37/91/78/410379178.db2.gz UXLCKKDRVNBIOG-GFCCVEGCSA-N 1 0 314.349 1.653 20 5 DDBDRO COCCCN(C(=O)c1cc([N+](=O)[O-])c[nH]1)C1CC[NH+](C)CC1 ZINC000358234223 410413937 /nfs/dbraw/zinc/41/39/37/410413937.db2.gz WRVFVIPGHUEIEG-UHFFFAOYSA-N 1 0 324.381 1.496 20 5 DDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000359297661 410587266 /nfs/dbraw/zinc/58/72/66/410587266.db2.gz DYPISXUQMGDSJI-WOPDTQHZSA-N 1 0 304.350 1.073 20 5 DDBDRO CC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000330436399 410689970 /nfs/dbraw/zinc/68/99/70/410689970.db2.gz MMIPFIFGOJRHSM-LLVKDONJSA-N 1 0 309.370 1.127 20 5 DDBDRO C[C@@H]1C[N@@H+](CCCNC(=O)c2ccc([N+](=O)[O-])n2C)C[C@H](C)O1 ZINC000330535287 410756964 /nfs/dbraw/zinc/75/69/64/410756964.db2.gz JDLRAVUEVMZUJK-TXEJJXNPSA-N 1 0 324.381 1.162 20 5 DDBDRO C[C@@H]1[C@H](NC(=O)NCCc2cccc([N+](=O)[O-])c2)CCC[N@@H+]1C ZINC000343914970 410803192 /nfs/dbraw/zinc/80/31/92/410803192.db2.gz WJUIARQZKPMYLV-IUODEOHRSA-N 1 0 320.393 1.919 20 5 DDBDRO CC[NH+](CC)[C@@H]1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)C1 ZINC000301893919 410823627 /nfs/dbraw/zinc/82/36/27/410823627.db2.gz AULXCAUZDNBHQR-LLVKDONJSA-N 1 0 304.354 1.558 20 5 DDBDRO Cn1nc([N+](=O)[O-])cc1C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000356120440 410849067 /nfs/dbraw/zinc/84/90/67/410849067.db2.gz UHIZYJHYSRPHFE-SNVBAGLBSA-N 1 0 323.378 1.423 20 5 DDBDRO CC[C@@H](CO)[NH2+]Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000353210563 410854159 /nfs/dbraw/zinc/85/41/59/410854159.db2.gz PVDZZPSVBXPPLM-NSHDSACASA-N 1 0 312.322 1.007 20 5 DDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000344032850 410908768 /nfs/dbraw/zinc/90/87/68/410908768.db2.gz DXYADTZBPRABOV-PKIAMQTDSA-N 1 0 319.361 1.625 20 5 DDBDRO Cc1cc(OCC(=O)N(CC[NH+](C)C)C2CC2)ccc1[N+](=O)[O-] ZINC000356295553 410949814 /nfs/dbraw/zinc/94/98/14/410949814.db2.gz UJBHUXHTBPNTGT-UHFFFAOYSA-N 1 0 321.377 1.835 20 5 DDBDRO CC(C)([NH3+])CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000129637130 196063806 /nfs/dbraw/zinc/06/38/06/196063806.db2.gz RAZYIPLRVKBSHT-UHFFFAOYSA-N 1 0 307.759 1.264 20 5 DDBDRO C[NH+](C)CCCNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000133994437 196352087 /nfs/dbraw/zinc/35/20/87/196352087.db2.gz BBAOINUAAWUQOE-UHFFFAOYSA-N 1 0 317.349 1.462 20 5 DDBDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000134297481 196377477 /nfs/dbraw/zinc/37/74/77/196377477.db2.gz HRZONIXXDDLLAZ-LLVKDONJSA-N 1 0 324.356 1.100 20 5 DDBDRO C[C@@H](CO)[C@@H](C)[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000295634678 225067775 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418614445 /nfs/dbraw/zinc/61/44/45/418614445.db2.gz OOIHAIMKVUPMRK-CABZTGNLSA-N 1 0 303.322 1.629 20 5 DDBDRO COC[C@](C)([NH3+])CNc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000341255510 418624947 /nfs/dbraw/zinc/62/49/47/418624947.db2.gz DUFHVHYSGGKIHI-MRXNPFEDSA-N 1 0 316.361 2.433 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H]2C(=O)NC[C@H]2C1 ZINC000368230637 418707443 /nfs/dbraw/zinc/70/74/43/418707443.db2.gz DYQZQBXUCHKQSW-JSGCOSHPSA-N 1 0 319.361 1.561 20 5 DDBDRO C[C@@H]1OCC[C@H]1[N@H+](CCO)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000361588129 418687136 /nfs/dbraw/zinc/68/71/36/418687136.db2.gz XQZHCFNGGAAHAH-XJKSGUPXSA-N 1 0 324.377 1.835 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]Cc2ccc(F)cc2F)c1 ZINC000385881149 418738610 /nfs/dbraw/zinc/73/86/10/418738610.db2.gz LSBAJLGLTNLNDZ-LBPRGKRZSA-N 1 0 312.276 1.220 20 5 DDBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@H](C1CC1)[C@H]1CNCCO1 ZINC000422786652 227177021 /nfs/dbraw/zinc/17/70/21/227177021.db2.gz LBZGHCQZSDQBGL-HZPDHXFCSA-N 1 0 305.378 1.494 20 5 DDBDRO NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000364924585 418822564 /nfs/dbraw/zinc/82/25/64/418822564.db2.gz AXJYWWQSPNTYKW-QEJZJMRPSA-N 1 0 303.362 1.723 20 5 DDBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CC[C@@H](n3cncn3)C2)cc1 ZINC000372483321 418875903 /nfs/dbraw/zinc/87/59/03/418875903.db2.gz UIJHTGYPADMOLL-CQSZACIVSA-N 1 0 317.349 1.902 20 5 DDBDRO CC[C@H]1C(=O)NCCN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411292470 418889505 /nfs/dbraw/zinc/88/95/05/418889505.db2.gz MRLRRCDBKMBNRK-ZDUSSCGKSA-N 1 0 320.349 1.134 20 5 DDBDRO C[N@H+](C[C@@H]1CC12CCN(C(=O)[C@@H]1C[C@@H]1[N+](=O)[O-])CC2)C1CC1 ZINC000372840595 418907414 /nfs/dbraw/zinc/90/74/14/418907414.db2.gz VWHYNTQPSQAING-YUTCNCBUSA-N 1 0 307.394 1.375 20 5 DDBDRO Cn1cc([C@@H]2CN(Cc3cccc([N+](=O)[O-])c3)C[C@H]2[NH3+])cn1 ZINC000424289702 228255380 /nfs/dbraw/zinc/25/53/80/228255380.db2.gz MIIJILYDZOHMHE-LSDHHAIUSA-N 1 0 301.350 1.255 20 5 DDBDRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000417943782 419407716 /nfs/dbraw/zinc/40/77/16/419407716.db2.gz PDRABZDQBCPPKJ-JSGCOSHPSA-N 1 0 320.393 1.906 20 5 DDBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000417946382 419412115 /nfs/dbraw/zinc/41/21/15/419412115.db2.gz RIPMADFTKNCIPS-KGLIPLIRSA-N 1 0 318.377 1.673 20 5 DDBDRO C[C@H](NC(=O)N[C@H]1CC[NH2+]C[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000417980672 419443425 /nfs/dbraw/zinc/44/34/25/419443425.db2.gz KVCZYBPVWLDZRA-MDZLAQPJSA-N 1 0 306.366 1.953 20 5 DDBDRO O=C(CC[N@@H+]1CC[C@@]12CCOC2)Nc1ccc([N+](=O)[O-])cc1 ZINC000421016429 419452793 /nfs/dbraw/zinc/45/27/93/419452793.db2.gz JDSXRFSFFZGQGX-HNNXBMFYSA-N 1 0 305.334 1.788 20 5 DDBDRO Cc1c(CNC(=O)N2CCCO[C@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000418085673 419519303 /nfs/dbraw/zinc/51/93/03/419519303.db2.gz YJUCRKZVRJATRS-CYBMUJFWSA-N 1 0 322.365 1.162 20 5 DDBDRO O=C(N[C@H]1CC[NH2+]C1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000418343737 419727424 /nfs/dbraw/zinc/72/74/24/419727424.db2.gz AQDAJMKGGFGNEV-LBPRGKRZSA-N 1 0 304.350 1.631 20 5 DDBDRO O=C(NCC[C@H]1CC[NH2+]C1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000418346611 419730478 /nfs/dbraw/zinc/73/04/78/419730478.db2.gz UVCBMQCXRBOXJV-GFCCVEGCSA-N 1 0 318.377 1.662 20 5 DDBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000430552518 228921478 /nfs/dbraw/zinc/92/14/78/228921478.db2.gz RWLKQSMNCWHDFN-XQQFMLRXSA-N 1 0 318.377 1.748 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000428032664 419794465 /nfs/dbraw/zinc/79/44/65/419794465.db2.gz KPHVZXAUMIHQCR-CHWSQXEVSA-N 1 0 318.377 1.526 20 5 DDBDRO C[C@H]1C[C@@H](NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000418594447 419893158 /nfs/dbraw/zinc/89/31/58/419893158.db2.gz FOHIFNMWGFQJKM-AAEUAGOBSA-N 1 0 306.366 1.877 20 5 DDBDRO C[C@H]1C[C@@H](NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000418611623 419899998 /nfs/dbraw/zinc/89/99/98/419899998.db2.gz VCOBRPAQBKSBFP-JSGCOSHPSA-N 1 0 320.393 1.919 20 5 DDBDRO C[N@@H+]1CC[C@]2(CCN(Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)C1 ZINC000429021286 419963668 /nfs/dbraw/zinc/96/36/68/419963668.db2.gz PSNWQGQYJUZGEN-INIZCTEOSA-N 1 0 315.377 1.999 20 5 DDBDRO CCC[NH2+]CCN[C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000423311746 420008390 /nfs/dbraw/zinc/00/83/90/420008390.db2.gz QHPFODYVPRIKSC-GFCCVEGCSA-N 1 0 308.382 1.901 20 5 DDBDRO Cn1ccnc1[C@@H](NCC1([NH3+])CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000423341950 420018615 /nfs/dbraw/zinc/01/86/15/420018615.db2.gz YIVOKOKZUPSXDY-AWEZNQCLSA-N 1 0 315.377 1.889 20 5 DDBDRO CCC[NH2+]CCNC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000423467651 420057136 /nfs/dbraw/zinc/05/71/36/420057136.db2.gz UBZZYIINJCAZNP-UHFFFAOYSA-N 1 0 309.322 1.111 20 5 DDBDRO COC[C@]1(CNC(=O)c2cc([N+](=O)[O-])c(C)cc2C)CCC[NH2+]1 ZINC000423631200 420107517 /nfs/dbraw/zinc/10/75/17/420107517.db2.gz GHIWKGWOCFTQBG-MRXNPFEDSA-N 1 0 321.377 1.710 20 5 DDBDRO CC(C)c1ccc(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)cc1[N+](=O)[O-] ZINC000423683195 420125105 /nfs/dbraw/zinc/12/51/05/420125105.db2.gz WOKQAPFQYVKAJP-RISCZKNCSA-N 1 0 307.350 1.028 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@H]1C[NH3+] ZINC000430550979 420132926 /nfs/dbraw/zinc/13/29/26/420132926.db2.gz HHQNXUWWDBOFFY-ZDUSSCGKSA-N 1 0 306.366 1.655 20 5 DDBDRO C[NH2+]C[C@@H]1CCCN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000430561108 420139044 /nfs/dbraw/zinc/13/90/44/420139044.db2.gz JMGLLUONEBCXGJ-ZDUSSCGKSA-N 1 0 317.349 1.829 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000415658654 420139084 /nfs/dbraw/zinc/13/90/84/420139084.db2.gz NPMWKFQRDJKGHL-NSHDSACASA-N 1 0 324.337 1.185 20 5 DDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000415452706 420072537 /nfs/dbraw/zinc/07/25/37/420072537.db2.gz YSQAUAWJJUOWHY-GFCCVEGCSA-N 1 0 322.365 1.195 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000423534020 420074424 /nfs/dbraw/zinc/07/44/24/420074424.db2.gz ZEAUHLXLTDUJGZ-QJPTWQEYSA-N 1 0 319.361 1.803 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000415484381 420085650 /nfs/dbraw/zinc/08/56/50/420085650.db2.gz OCOLVKYELWBPIO-NSHDSACASA-N 1 0 308.338 1.322 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000430929484 420210577 /nfs/dbraw/zinc/21/05/77/420210577.db2.gz XJRKUWALTJKVPL-BETUJISGSA-N 1 0 320.393 1.914 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC([C@@H](C)[NH3+])CC1 ZINC000430931039 420211554 /nfs/dbraw/zinc/21/15/54/420211554.db2.gz CCQOLKCRUALTRQ-GFCCVEGCSA-N 1 0 320.393 1.901 20 5 DDBDRO [NH3+]C[C@H]1CC[C@@H](C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)O1 ZINC000423727273 420144909 /nfs/dbraw/zinc/14/49/09/420144909.db2.gz QXVVMIORMYLOLV-CABCVRRESA-N 1 0 319.361 1.592 20 5 DDBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC[C@H](C[NH3+])C1 ZINC000430605986 420156528 /nfs/dbraw/zinc/15/65/28/420156528.db2.gz UCUVPKWSSUWJQE-VXGBXAGGSA-N 1 0 306.366 1.593 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@@H](C)CCC[NH3+] ZINC000415759237 420168340 /nfs/dbraw/zinc/16/83/40/420168340.db2.gz JVFDGLIXJZAXDW-JTQLQIEISA-N 1 0 322.365 1.394 20 5 DDBDRO CCOC(=O)c1ccnc(N2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1[N+](=O)[O-] ZINC000420257288 420172018 /nfs/dbraw/zinc/17/20/18/420172018.db2.gz JRXAGUMDSYDXAA-GHMZBOCLSA-N 1 0 320.349 1.212 20 5 DDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000420276489 420177296 /nfs/dbraw/zinc/17/72/96/420177296.db2.gz HNCGNHFZIOZDDX-GHMZBOCLSA-N 1 0 306.366 1.884 20 5 DDBDRO C[C@H]1C[NH2+]CCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000420281298 420181648 /nfs/dbraw/zinc/18/16/48/420181648.db2.gz AJGPHTGVASZUDD-VIFPVBQESA-N 1 0 312.757 1.480 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000420370828 420242805 /nfs/dbraw/zinc/24/28/05/420242805.db2.gz CXARTFMMCYLMSP-WCQYABFASA-N 1 0 320.393 1.758 20 5 DDBDRO O=C(CN1CCC[C@@]2(CC[NH2+]C2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000420386113 420253815 /nfs/dbraw/zinc/25/38/15/420253815.db2.gz VAVGWZCBJAOHKI-INIZCTEOSA-N 1 0 318.377 1.609 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420388140 420255355 /nfs/dbraw/zinc/25/53/55/420255355.db2.gz WVDLBGYPTPKVRN-DGCLKSJQSA-N 1 0 320.393 1.758 20 5 DDBDRO CN(CC(=O)N[C@H](C[NH3+])C1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000423972680 420287414 /nfs/dbraw/zinc/28/74/14/420287414.db2.gz ZZJUCVVMPVUWCJ-CYBMUJFWSA-N 1 0 320.393 1.665 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@H](C)CCC[NH3+] ZINC000420439174 420287837 /nfs/dbraw/zinc/28/78/37/420287837.db2.gz MESUIJVOCDIIRV-LLVKDONJSA-N 1 0 315.395 1.617 20 5 DDBDRO COCC(C)(C)[NH+]1CCN(c2nccc(C)c2[N+](=O)[O-])CC1 ZINC000425276551 420335768 /nfs/dbraw/zinc/33/57/68/420335768.db2.gz HDFOFTRSHGJWKY-UHFFFAOYSA-N 1 0 308.382 1.845 20 5 DDBDRO [NH3+]C[C@@H]1CC[C@@H](NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000420445441 420291706 /nfs/dbraw/zinc/29/17/06/420291706.db2.gz AIKXFIGHCCXNED-ZYHUDNBSSA-N 1 0 313.379 1.142 20 5 DDBDRO CSc1ccc(C(=O)NC[C@H]2C[NH2+]CCO2)cc1[N+](=O)[O-] ZINC000423989779 420293615 /nfs/dbraw/zinc/29/36/15/420293615.db2.gz ISWPADOUXIWFHK-SNVBAGLBSA-N 1 0 311.363 1.035 20 5 DDBDRO Cc1cc(S(=O)(=O)N2C[C@@H](C[NH3+])C[C@H]2C)ccc1[N+](=O)[O-] ZINC000447248986 230349050 /nfs/dbraw/zinc/34/90/50/230349050.db2.gz VQUVYLNSXFZLEQ-GHMZBOCLSA-N 1 0 313.379 1.261 20 5 DDBDRO CN(C(=O)NCCc1ccccc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000417760104 420471242 /nfs/dbraw/zinc/47/12/42/420471242.db2.gz FLNXGLJWMOAFFG-UHFFFAOYSA-N 1 0 306.366 1.531 20 5 DDBDRO Cc1ccc(NCCCNC(=O)NCC(C)(C)[NH3+])c([N+](=O)[O-])c1 ZINC000417713434 420459101 /nfs/dbraw/zinc/45/91/01/420459101.db2.gz HAHCALCXMRXCKM-UHFFFAOYSA-N 1 0 323.397 1.742 20 5 DDBDRO C[C@H]([NH3+])CCNC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000417719852 420460348 /nfs/dbraw/zinc/46/03/48/420460348.db2.gz QTRXMDLZFWYINL-LBPRGKRZSA-N 1 0 308.382 1.954 20 5 DDBDRO CCOC(=O)c1cc(N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000450774689 420527369 /nfs/dbraw/zinc/52/73/69/420527369.db2.gz DKZWJMAVTQVMSS-XHDPSFHLSA-N 1 0 319.361 1.912 20 5 DDBDRO CC(C)c1ccc(C(=O)NC[C@@]2(O)CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000439715098 420532926 /nfs/dbraw/zinc/53/29/26/420532926.db2.gz DDFKINXTFFLAEJ-INIZCTEOSA-N 1 0 321.377 1.515 20 5 DDBDRO CC[NH+]1CCN(CC(C)(C)NC(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000456908996 420567360 /nfs/dbraw/zinc/56/73/60/420567360.db2.gz YNBYANIYKJMERP-UHFFFAOYSA-N 1 0 324.381 1.334 20 5 DDBDRO CNS(=O)(=O)CCC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000451103148 420591508 /nfs/dbraw/zinc/59/15/08/420591508.db2.gz GJYVWDYDZKKPNZ-JTQLQIEISA-N 1 0 301.368 1.185 20 5 DDBDRO Cc1cc(C)c(S(=O)(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000440841498 420613086 /nfs/dbraw/zinc/61/30/86/420613086.db2.gz JBDVQOJNLBZBTJ-MNOVXSKESA-N 1 0 313.379 1.179 20 5 DDBDRO C[C@H](C[NH3+])CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000441598515 420656987 /nfs/dbraw/zinc/65/69/87/420656987.db2.gz AUNAFYFZNQZLBZ-SSDOTTSWSA-N 1 0 305.256 1.938 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)c1 ZINC000452982816 420695189 /nfs/dbraw/zinc/69/51/89/420695189.db2.gz BBQPOTZJWNHTBS-IINYFYTJSA-N 1 0 305.334 1.380 20 5 DDBDRO C[C@]1(C[NH3+])CCN(C(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000493042062 420742136 /nfs/dbraw/zinc/74/21/36/420742136.db2.gz BCCSICBTCMRKCJ-UYWPIULCSA-N 1 0 307.325 1.944 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)/C=C/c3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000493134899 420764614 /nfs/dbraw/zinc/76/46/14/420764614.db2.gz WAAYCDOUBMNUSO-WHIKILRWSA-N 1 0 301.346 1.771 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@@H](C)CC[NH3+] ZINC000447251509 420768148 /nfs/dbraw/zinc/76/81/48/420768148.db2.gz UVQAZVOADQIYNZ-JTQLQIEISA-N 1 0 301.368 1.227 20 5 DDBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1C[C@@H](C[NH3+])C[C@H]1C ZINC000442765051 420712555 /nfs/dbraw/zinc/71/25/55/420712555.db2.gz ITKCSJFJZJSVFG-GRYCIOLGSA-N 1 0 306.366 1.591 20 5 DDBDRO CCN1C[C@H]([NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1=O ZINC000453366474 420722805 /nfs/dbraw/zinc/72/28/05/420722805.db2.gz RCLBQMWVIMKUSQ-FRRDWIJNSA-N 1 0 321.381 1.485 20 5 DDBDRO C[C@]1(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CCC(=O)N1 ZINC000453413789 420726701 /nfs/dbraw/zinc/72/67/01/420726701.db2.gz JHDOSODKWQLCEW-YWPYICTPSA-N 1 0 321.381 1.533 20 5 DDBDRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000493167401 420776277 /nfs/dbraw/zinc/77/62/77/420776277.db2.gz PDOQFGMONHVVNP-CEBVKENUSA-N 1 0 307.325 1.861 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@H](C)[NH+](C)C ZINC000454303538 420833614 /nfs/dbraw/zinc/83/36/14/420833614.db2.gz PXBLPVIKRSHQSL-JTQLQIEISA-N 1 0 310.354 1.353 20 5 DDBDRO O=C(/C=C\c1cccc([N+](=O)[O-])c1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000493617468 420897213 /nfs/dbraw/zinc/89/72/13/420897213.db2.gz AXQFRQNDUSZPHG-IJVDHGTGSA-N 1 0 301.346 1.961 20 5 DDBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])c(NC)n1 ZINC000454376810 420849885 /nfs/dbraw/zinc/84/98/85/420849885.db2.gz SVXJJVSKXZDPLH-SNVBAGLBSA-N 1 0 307.354 1.246 20 5 DDBDRO Cn1nccc1[C@@H](CO)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000459713102 420855307 /nfs/dbraw/zinc/85/53/07/420855307.db2.gz NLEDYXBFPAXEMA-DIECRNLCSA-N 1 0 302.334 1.665 20 5 DDBDRO O=C(Cc1ccccc1[N+](=O)[O-])N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000449200095 420968425 /nfs/dbraw/zinc/96/84/25/420968425.db2.gz GTINYWKYDYISQK-LSDHHAIUSA-N 1 0 317.389 1.985 20 5 DDBDRO Cc1ccc(C[NH2+]C[C@@H]2CCCCN2CCO)cc1[N+](=O)[O-] ZINC000449388859 421004641 /nfs/dbraw/zinc/00/46/41/421004641.db2.gz BLIRAJAIMGUPEY-HNNXBMFYSA-N 1 0 307.394 1.840 20 5 DDBDRO CC1(C)COC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000449621975 421039858 /nfs/dbraw/zinc/03/98/58/421039858.db2.gz BSJFIDORJAQOSA-CYBMUJFWSA-N 1 0 308.334 1.976 20 5 DDBDRO CC1(C)C[NH2+]CC[C@H]1NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000449699603 421063144 /nfs/dbraw/zinc/06/31/44/421063144.db2.gz RBMTZHNFXBYXOS-CYBMUJFWSA-N 1 0 306.366 1.511 20 5 DDBDRO CSC1(CNc2ncc([N+](=O)[O-])c(C)n2)CC[NH+](C)CC1 ZINC000450531376 421206945 /nfs/dbraw/zinc/20/69/45/421206945.db2.gz IFYVCMRKGGASGM-UHFFFAOYSA-N 1 0 311.411 1.933 20 5 DDBDRO CNc1ccc(C(=O)NCC[N@@H+]2CC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000524720578 421268229 /nfs/dbraw/zinc/26/82/29/421268229.db2.gz YRCCZXZAQNUHRW-NSHDSACASA-N 1 0 306.366 1.708 20 5 DDBDRO C[C@H]1CC[N@H+](CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000524790868 421272290 /nfs/dbraw/zinc/27/22/90/421272290.db2.gz WRLFAJGOGRHBOQ-NSHDSACASA-N 1 0 313.379 1.215 20 5 DDBDRO COc1ccc(CNC(=O)[C@H]2CCCCC[NH2+]2)cc1[N+](=O)[O-] ZINC000563155469 421464055 /nfs/dbraw/zinc/46/40/55/421464055.db2.gz HEBUTVXTJDTVKL-GFCCVEGCSA-N 1 0 307.350 1.752 20 5 DDBDRO C[N@H+](C[C@@H](O)CN1CCc2c(cccc2[N+](=O)[O-])C1)C1CC1 ZINC000515017675 421473364 /nfs/dbraw/zinc/47/33/64/421473364.db2.gz CUIHFXCNWDGCTE-CQSZACIVSA-N 1 0 305.378 1.408 20 5 DDBDRO CC[C@H]1C[N@H+](C)CCN1C(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000563990553 421563891 /nfs/dbraw/zinc/56/38/91/421563891.db2.gz XDJZLNDGHCTLJG-LBPRGKRZSA-N 1 0 309.370 1.042 20 5 DDBDRO CCN(CCC[NH+]1CCCC1)C(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000565189737 421596193 /nfs/dbraw/zinc/59/61/93/421596193.db2.gz JRJKYUJZNYELHO-UHFFFAOYSA-N 1 0 321.381 1.520 20 5 DDBDRO [NH3+]CC[C@@H]1CCCCN1C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000517922567 421633107 /nfs/dbraw/zinc/63/31/07/421633107.db2.gz ZGOHUHRNNFZXGA-JTQLQIEISA-N 1 0 321.333 1.667 20 5 DDBDRO Cc1c(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])cnn1C ZINC000517921950 421633504 /nfs/dbraw/zinc/63/35/04/421633504.db2.gz AJADUPTVDVZSGK-ZDUSSCGKSA-N 1 0 320.349 1.166 20 5 DDBDRO C[C@H](NC(=O)NCC1CC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000570306712 421637563 /nfs/dbraw/zinc/63/75/63/421637563.db2.gz SGHIVPCMZCDTAC-NSHDSACASA-N 1 0 306.366 1.955 20 5 DDBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000571519094 421723534 /nfs/dbraw/zinc/72/35/34/421723534.db2.gz AYTVTXRQKXSDAO-WDEREUQCSA-N 1 0 306.366 1.788 20 5 DDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000571541937 421725824 /nfs/dbraw/zinc/72/58/24/421725824.db2.gz BOJZXXUGUOASSU-NSHDSACASA-N 1 0 318.377 1.851 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N(C)[C@@H]2CC[NH2+]C2)c1 ZINC000522000187 421811962 /nfs/dbraw/zinc/81/19/62/421811962.db2.gz LBSRPTOJNVDBKL-LLVKDONJSA-N 1 0 313.379 1.194 20 5 DDBDRO Cc1ccccc1[C@H](CO)[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000543836030 421842065 /nfs/dbraw/zinc/84/20/65/421842065.db2.gz GSBXFLURHMBEJD-HNNXBMFYSA-N 1 0 317.345 1.388 20 5 DDBDRO O=C(C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])NCC1CC1 ZINC000574805868 422185495 /nfs/dbraw/zinc/18/54/95/422185495.db2.gz ODEYTTHEPOETKP-UHFFFAOYSA-N 1 0 320.349 1.039 20 5 DDBDRO C[C@@H]1CN(c2ccc3ncc([N+](=O)[O-])n3n2)CC[N@@H+](C2CC2)C1 ZINC000575873025 422341923 /nfs/dbraw/zinc/34/19/23/422341923.db2.gz PJNPGKWQCVAWOG-NSHDSACASA-N 1 0 316.365 1.558 20 5 DDBDRO Cc1nc(NC[C@@H](C)N2C[C@@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000594591805 422351353 /nfs/dbraw/zinc/35/13/53/422351353.db2.gz LGTFJSZVWXHBHU-UTUOFQBUSA-N 1 0 308.382 2.208 20 5 DDBDRO [NH3+][C@@H]1CCC[C@@H]1C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000595924255 422359753 /nfs/dbraw/zinc/35/97/53/422359753.db2.gz JLIKEZOGPUAHHT-NWDGAFQWSA-N 1 0 315.333 2.051 20 5 DDBDRO CNc1nccc(C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000597923239 422392155 /nfs/dbraw/zinc/39/21/55/422392155.db2.gz NLLFVHQDVNARIQ-JTQLQIEISA-N 1 0 321.381 1.634 20 5 DDBDRO COC(=O)c1ccnc(NCCC[N@H+](C)C(C)C)c1[N+](=O)[O-] ZINC000598588736 422397429 /nfs/dbraw/zinc/39/74/29/422397429.db2.gz BVQNAMVEBXCWKM-UHFFFAOYSA-N 1 0 310.354 1.919 20 5 DDBDRO C[C@@H]1CN(CCNc2ncnc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000611711469 422479678 /nfs/dbraw/zinc/47/96/78/422479678.db2.gz VHFGROGSSMGHNY-LLVKDONJSA-N 1 0 317.349 1.671 20 5 DDBDRO CC1(C)[C@H]([NH2+]CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@@H]1O ZINC000578080378 422492009 /nfs/dbraw/zinc/49/20/09/422492009.db2.gz VCIPYLUFEUKSNS-KGLIPLIRSA-N 1 0 319.361 1.233 20 5 DDBDRO O=[N+]([O-])c1ccc2ncnc(NCC[N@@H+]3CCCOCC3)c2c1 ZINC000614982510 422495446 /nfs/dbraw/zinc/49/54/46/422495446.db2.gz APYAKCZASPBHJJ-UHFFFAOYSA-N 1 0 317.349 1.672 20 5 DDBDRO CCC(CC)(C[NH3+])NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000578618263 422610229 /nfs/dbraw/zinc/61/02/29/422610229.db2.gz WCTAYICUBDRDDZ-UHFFFAOYSA-N 1 0 323.349 1.613 20 5 DDBDRO CCOC1(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCCC1 ZINC000319707414 271023478 /nfs/dbraw/zinc/02/34/78/271023478.db2.gz IWSBRQKKKKDNFX-ZDUSSCGKSA-N 1 0 312.370 1.091 20 5 DDBDRO CC[N@H+]1C[C@@H](C)N(C(=O)COc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000344410911 272018371 /nfs/dbraw/zinc/01/83/71/272018371.db2.gz CDBBRCINZCOVMW-BETUJISGSA-N 1 0 321.377 1.915 20 5 DDBDRO CC[NH+]1C[C@H](C)N(C(=O)CCn2cc([N+](=O)[O-])nc2C)[C@@H](C)C1 ZINC000344477065 272033577 /nfs/dbraw/zinc/03/35/77/272033577.db2.gz YSSDARZFKGKOHI-RYUDHWBXSA-N 1 0 323.397 1.431 20 5 DDBDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1cc(OC)c(O)cc1[N+](=O)[O-] ZINC000345850554 272349652 /nfs/dbraw/zinc/34/96/52/272349652.db2.gz LEXQMVQLYDZXLS-GHMZBOCLSA-N 1 0 323.349 1.313 20 5 DDBDRO CC[N@@H+]1C[C@H](C)N(C(=O)CCn2cc([N+](=O)[O-])nc2C)C[C@H]1C ZINC000346050856 272399364 /nfs/dbraw/zinc/39/93/64/272399364.db2.gz RIDGHJDJRIVRCO-NEPJUHHUSA-N 1 0 323.397 1.431 20 5 DDBDRO C[C@@H]1CCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)[C@H](C[NH3+])C1 ZINC000420259021 274304744 /nfs/dbraw/zinc/30/47/44/274304744.db2.gz LFWPIJWBSCWJES-KOLCDFICSA-N 1 0 317.349 1.807 20 5 DDBDRO CC(C)[C@H]([NH3+])CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000269294444 275703783 /nfs/dbraw/zinc/70/37/83/275703783.db2.gz VPOVBXVEHLKNLT-CQSZACIVSA-N 1 0 320.393 1.908 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)NC2CC[NH+](C3CC3)CC2)c1[N+](=O)[O-] ZINC000269421244 276041421 /nfs/dbraw/zinc/04/14/21/276041421.db2.gz XKBDVMXRINISHE-UHFFFAOYSA-N 1 0 321.381 1.798 20 5 DDBDRO CCN(CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)S(C)(=O)=O ZINC000038035483 276123647 /nfs/dbraw/zinc/12/36/47/276123647.db2.gz YXOXBCJCNYERME-UHFFFAOYSA-N 1 0 315.395 1.356 20 5 DDBDRO CC[NH+]1CCN([C@H]2CCN(c3cc(F)ccc3[N+](=O)[O-])C2)CC1 ZINC000302794257 276201975 /nfs/dbraw/zinc/20/19/75/276201975.db2.gz IHHXJHDQZLOXJI-AWEZNQCLSA-N 1 0 322.384 1.950 20 5 DDBDRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000299569155 277075830 /nfs/dbraw/zinc/07/58/30/277075830.db2.gz TWYBBGBPBNPAGH-HNNXBMFYSA-N 1 0 318.377 1.338 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@H](C)[NH2+]C[C@H]1C ZINC000250875949 278747073 /nfs/dbraw/zinc/74/70/73/278747073.db2.gz KJBOSXJWUWTAKI-WDEREUQCSA-N 1 0 313.379 1.274 20 5 DDBDRO Cc1ccnc(N2CCC(C[NH+]3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000301248131 278984035 /nfs/dbraw/zinc/98/40/35/278984035.db2.gz BISNNBMALWVVEO-UHFFFAOYSA-N 1 0 320.393 1.847 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000263688707 281259136 /nfs/dbraw/zinc/25/91/36/281259136.db2.gz BRLUZCXRXWPYLP-UHFFFAOYSA-N 1 0 306.366 1.113 20 5 DDBDRO C[NH2+]C[C@H]1CCCN1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000130954145 281399930 /nfs/dbraw/zinc/39/99/30/281399930.db2.gz VKONFOQOJWVEEV-CYBMUJFWSA-N 1 0 313.379 1.108 20 5 DDBDRO C[NH+](C)C1CCC(NC(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000421682781 289063447 /nfs/dbraw/zinc/06/34/47/289063447.db2.gz AGRPAUCBGJBQBE-UHFFFAOYSA-N 1 0 321.377 1.963 20 5 DDBDRO C[NH+](C)[C@@]1(CNC(=O)Cc2cccc([N+](=O)[O-])c2)CCSC1 ZINC000267107042 289341491 /nfs/dbraw/zinc/34/14/91/289341491.db2.gz MGPYDMAVVQLRDU-OAHLLOKOSA-N 1 0 323.418 1.691 20 5 DDBDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000181163052 289380522 /nfs/dbraw/zinc/38/05/22/289380522.db2.gz NHYMCDWLAQBFAY-QWRGUYRKSA-N 1 0 306.366 1.780 20 5 DDBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000572882978 304562184 /nfs/dbraw/zinc/56/21/84/304562184.db2.gz WIOLGKUKJJTWTF-QWRGUYRKSA-N 1 0 317.349 1.636 20 5 DDBDRO CS[C@@H](C)C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000572993124 304568507 /nfs/dbraw/zinc/56/85/07/304568507.db2.gz OLTHNFGDJRBJDI-JTQLQIEISA-N 1 0 318.420 1.710 20 5 DDBDRO CCOC(=O)C1(C)CCC([NH2+]CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000354423497 298434522 /nfs/dbraw/zinc/43/45/22/298434522.db2.gz SRBUJTFQTUFCHQ-UHFFFAOYSA-N 1 0 324.381 1.893 20 5 DDBDRO Cn1nc([N+](=O)[O-])cc1C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000356447543 298793279 /nfs/dbraw/zinc/79/32/79/298793279.db2.gz OVZXENFWJHSHQM-UHFFFAOYSA-N 1 0 321.381 1.419 20 5 DDBDRO Cn1nc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000356453732 298794952 /nfs/dbraw/zinc/79/49/52/298794952.db2.gz HVRRSTJHIWFMNS-NSHDSACASA-N 1 0 307.354 1.029 20 5 DDBDRO NC(=O)c1ccnc(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000357312603 299005961 /nfs/dbraw/zinc/00/59/61/299005961.db2.gz JNAMULTUGNQHIS-UWVGGRQHSA-N 1 0 305.338 1.127 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@@H]3C[NH+](C)C[C@H]3C2)c1 ZINC000362664622 300113591 /nfs/dbraw/zinc/11/35/91/300113591.db2.gz MVGUDDQEOAMMLN-RYUDHWBXSA-N 1 0 305.334 1.379 20 5 DDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000363053467 300204423 /nfs/dbraw/zinc/20/44/23/300204423.db2.gz LBUZUQZNJMDXED-OAHLLOKOSA-N 1 0 303.362 1.834 20 5 DDBDRO O=C(c1ccc([N+](=O)[O-])cn1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000366123811 300645441 /nfs/dbraw/zinc/64/54/41/300645441.db2.gz ILKRUDZILKIYCI-LBPRGKRZSA-N 1 0 304.350 1.548 20 5 DDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@]2(CCC[C@H]2[NH3+])C1 ZINC000367647652 300867501 /nfs/dbraw/zinc/86/75/01/300867501.db2.gz CDJGMAQVXPWQGN-UKRRQHHQSA-N 1 0 304.350 1.521 20 5 DDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000367649500 300868733 /nfs/dbraw/zinc/86/87/33/300868733.db2.gz UBJDDDSJOLTPPO-XHDPSFHLSA-N 1 0 318.377 1.781 20 5 DDBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000367820515 300890684 /nfs/dbraw/zinc/89/06/84/300890684.db2.gz CKRIYKCFJHLFTN-LBPRGKRZSA-N 1 0 311.363 1.015 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC3(C2)CC[NH2+]CC3)c1 ZINC000374503356 301812705 /nfs/dbraw/zinc/81/27/05/301812705.db2.gz HWAFKYMSJVMNKQ-UHFFFAOYSA-N 1 0 319.361 1.819 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2C[C@@H]3CCCCCC[C@@H]32)c1 ZINC000375852254 302004742 /nfs/dbraw/zinc/00/47/42/302004742.db2.gz WLCXRYGDGQNBPW-CFVMTHIKSA-N 1 0 308.382 1.807 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000036299985 302041186 /nfs/dbraw/zinc/04/11/86/302041186.db2.gz BKOSPBHTQSFDBV-UHFFFAOYSA-N 1 0 313.379 1.276 20 5 DDBDRO O=C1NC[C@@H]2C[N@H+](CCCOc3ccc([N+](=O)[O-])cc3)CC[C@@H]12 ZINC000377717982 302218607 /nfs/dbraw/zinc/21/86/07/302218607.db2.gz CWZIFSXAVOLACA-IUODEOHRSA-N 1 0 319.361 1.432 20 5 DDBDRO Cc1cc(C[N@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)ccc1F ZINC000444739333 302394537 /nfs/dbraw/zinc/39/45/37/302394537.db2.gz ADNONFMTAHSAHZ-CQSZACIVSA-N 1 0 322.340 1.732 20 5 DDBDRO COc1ccc(C[NH2+]C[C@@H]2CC(=O)N(C3CC3)C2)cc1[N+](=O)[O-] ZINC000516301828 302788575 /nfs/dbraw/zinc/78/85/75/302788575.db2.gz RTGWXNFSUUIJKJ-LBPRGKRZSA-N 1 0 319.361 1.704 20 5 DDBDRO C[NH2+]C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000517564529 302814991 /nfs/dbraw/zinc/81/49/91/302814991.db2.gz HNLAJLBKZCUYOM-NSHDSACASA-N 1 0 314.345 1.825 20 5 DDBDRO Cc1sc(S(=O)(=O)NC[C@H](C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000451929025 302880928 /nfs/dbraw/zinc/88/09/28/302880928.db2.gz LRWSRSYXARYEJP-ZETCQYMHSA-N 1 0 307.397 1.193 20 5 DDBDRO C[C@@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000356867661 306865907 /nfs/dbraw/zinc/86/59/07/306865907.db2.gz MUOZBMXCIJRVAA-NEPJUHHUSA-N 1 0 307.350 1.938 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000531366046 303242633 /nfs/dbraw/zinc/24/26/33/303242633.db2.gz HNKXJGAIPWGSTC-CYBMUJFWSA-N 1 0 312.395 1.100 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CCCn2ccnc2)c1 ZINC000560267416 303802746 /nfs/dbraw/zinc/80/27/46/303802746.db2.gz CEESBBYVOYCUGR-CQSZACIVSA-N 1 0 320.349 1.211 20 5 DDBDRO C[NH2+]C[C@@H](C)CNC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000561159445 303832133 /nfs/dbraw/zinc/83/21/33/303832133.db2.gz MELCTXLWLBOBEP-LLVKDONJSA-N 1 0 310.354 1.128 20 5 DDBDRO O=[N+]([O-])c1ccc(N[C@H](CO)C[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000288874609 304803553 /nfs/dbraw/zinc/80/35/53/304803553.db2.gz GDRYBZNBXQGHPD-NSHDSACASA-N 1 0 324.337 1.762 20 5 DDBDRO Cc1cc([C@@H]2CCC[N@H+](CCn3ccc([N+](=O)[O-])n3)C2)[nH]n1 ZINC000363366752 307026695 /nfs/dbraw/zinc/02/66/95/307026695.db2.gz JRRSYQMPHPLBTH-GFCCVEGCSA-N 1 0 304.354 1.702 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(S(N)(=O)=O)CC1 ZINC000364890366 307052586 /nfs/dbraw/zinc/05/25/86/307052586.db2.gz DXPPJTVXMHASEF-UHFFFAOYSA-N 1 0 313.379 1.156 20 5 DDBDRO [NH3+][C@@H]1CCC[C@@]12CCN(C(=O)CNc1ccccc1[N+](=O)[O-])C2 ZINC000365107227 307058626 /nfs/dbraw/zinc/05/86/26/307058626.db2.gz YEQMRQYELFFJDG-ZBFHGGJFSA-N 1 0 318.377 1.737 20 5 DDBDRO CCc1ccc([C@@H]2C[NH2+]CCN2C(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])cc1 ZINC000367141638 307086976 /nfs/dbraw/zinc/08/69/76/307086976.db2.gz VAYSYXQKPWNJSG-ILXRZTDVSA-N 1 0 303.362 1.387 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC(O)(C[NH+]3CCOCC3)CC2)cc1 ZINC000370678237 307132322 /nfs/dbraw/zinc/13/23/22/307132322.db2.gz VMANVCAOWBBJLQ-UHFFFAOYSA-N 1 0 321.377 1.258 20 5 DDBDRO Cc1ccc(CN2CCC[C@]3(CNC(=O)O3)C2)cc1[N+](=O)[O-] ZINC000372747318 307174570 /nfs/dbraw/zinc/17/45/70/307174570.db2.gz XVKUTRLIRWYKEN-HNNXBMFYSA-N 1 0 305.334 1.978 20 5 DDBDRO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)[C@H]1CC1[N+](=O)[O-] ZINC000373798625 307195471 /nfs/dbraw/zinc/19/54/71/307195471.db2.gz SNAQHXUZKQFKST-XNISGKROSA-N 1 0 315.373 1.795 20 5 DDBDRO C[C@@H]1C[C@]2(CCO1)C[N@@H+](CCn1ccc([N+](=O)[O-])n1)C[C@H](C)O2 ZINC000374013401 307199369 /nfs/dbraw/zinc/19/93/69/307199369.db2.gz HRJSDBHLFONXHR-VNHYZAJKSA-N 1 0 324.381 1.450 20 5 DDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N(Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000375270750 307220043 /nfs/dbraw/zinc/22/00/43/307220043.db2.gz VSNQKELPBSFYLM-RRFJBIMHSA-N 1 0 318.377 1.218 20 5 DDBDRO NC(=O)C[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000377601546 307274662 /nfs/dbraw/zinc/27/46/62/307274662.db2.gz CGIUAJSHCMCEIW-VIFPVBQESA-N 1 0 308.294 1.200 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H](C)S(C)(=O)=O ZINC000540141242 307685275 /nfs/dbraw/zinc/68/52/75/307685275.db2.gz GUBRMGHAGBJIOU-GHMZBOCLSA-N 1 0 300.380 1.987 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1CN1CCc2ccccc2[C@H]1C[NH3+] ZINC000565421923 308030659 /nfs/dbraw/zinc/03/06/59/308030659.db2.gz IWJBCCOFKURXOW-CYBMUJFWSA-N 1 0 301.350 1.386 20 5 DDBDRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000566850375 308065199 /nfs/dbraw/zinc/06/51/99/308065199.db2.gz SSUHJWKMYNWAIS-MWLCHTKSSA-N 1 0 321.333 1.665 20 5 DDBDRO C[C@H](C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)Oc1ccccc1 ZINC000574033903 308259056 /nfs/dbraw/zinc/25/90/56/308259056.db2.gz UPEHZCCUJSBVAU-OCCSQVGLSA-N 1 0 320.349 1.209 20 5 DDBDRO C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000574071322 308260441 /nfs/dbraw/zinc/26/04/41/308260441.db2.gz DUDVUWQXZFRZGB-FRRDWIJNSA-N 1 0 310.350 1.492 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](CC3(CO)COC3)C2)cc1 ZINC000574129197 308261897 /nfs/dbraw/zinc/26/18/97/308261897.db2.gz DCTQIXSBBOXCFO-CQSZACIVSA-N 1 0 306.362 1.783 20 5 DDBDRO COc1ccc(OCCN2CC[C@H]([NH3+])C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000576766231 308338477 /nfs/dbraw/zinc/33/84/77/308338477.db2.gz TUKSKCSBKIQOMS-RYUDHWBXSA-N 1 0 309.366 1.794 20 5 DDBDRO COc1ccc([C@H](C[NH3+])Cn2ccc(=O)c([N+](=O)[O-])c2)cc1 ZINC000576940584 308350857 /nfs/dbraw/zinc/35/08/57/308350857.db2.gz SRMFIVXIHNYJKR-GFCCVEGCSA-N 1 0 303.318 1.508 20 5 DDBDRO CC1(C)C(=O)N[C@@H]1C1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000577072839 308361042 /nfs/dbraw/zinc/36/10/42/308361042.db2.gz CVTMNIXXFVFXQE-CYBMUJFWSA-N 1 0 321.381 1.028 20 5 DDBDRO C[NH+](C)CCOCCNc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000578999819 308500281 /nfs/dbraw/zinc/50/02/81/308500281.db2.gz AKGPCBNKIOKVFJ-UHFFFAOYSA-N 1 0 308.382 1.859 20 5 DDBDRO C[C@H](O)C[C@H](C)C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000582486217 337097571 /nfs/dbraw/zinc/09/75/71/337097571.db2.gz HVHRTTCSDCJQHK-RWMBFGLXSA-N 1 0 312.366 1.331 20 5 DDBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCCN1CCOCC1 ZINC000582735931 337127823 /nfs/dbraw/zinc/12/78/23/337127823.db2.gz PVTBEXWGXYNTIO-OAHLLOKOSA-N 1 0 305.378 1.894 20 5 DDBDRO COC(=O)c1cc(C(=O)N[C@@H]2CC[NH2+][C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000423621560 533740467 /nfs/dbraw/zinc/74/04/67/533740467.db2.gz KVBJLSAFTVOBIZ-BXKDBHETSA-N 1 0 321.333 1.252 20 5 DDBDRO C[C@@H]1CCC[C@@](CNC(=O)Cn2ccc([N+](=O)[O-])n2)([NH+](C)C)C1 ZINC000299271424 533797140 /nfs/dbraw/zinc/79/71/40/533797140.db2.gz JMJZIKCLXXNMLM-IUODEOHRSA-N 1 0 323.397 1.418 20 5 DDBDRO Cc1c(CC(=O)N[C@H]2CC[N@@H+](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000331426594 533838975 /nfs/dbraw/zinc/83/89/75/533838975.db2.gz VCCZXDJVSPJGCL-ZDUSSCGKSA-N 1 0 303.362 1.799 20 5 DDBDRO [NH3+]C[C@@H](NC(=O)NCCc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000417226064 534667324 /nfs/dbraw/zinc/66/73/24/534667324.db2.gz KELKHIWVOXXRGL-OAHLLOKOSA-N 1 0 320.393 1.954 20 5 DDBDRO O=C(Nc1ccncc1[N+](=O)[O-])N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000332487631 534771870 /nfs/dbraw/zinc/77/18/70/534771870.db2.gz ZSELPHAJWTZTNT-NWDGAFQWSA-N 1 0 319.365 1.265 20 5 DDBDRO O=[N+]([O-])c1ccc(N[C@@H]2CCC[N@@H+](CCCO)C2)c([N+](=O)[O-])c1 ZINC000295010718 534882120 /nfs/dbraw/zinc/88/21/20/534882120.db2.gz SLMXSDIUKVCGAC-LLVKDONJSA-N 1 0 324.337 1.762 20 5 DDBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160297089 526514725 /nfs/dbraw/zinc/51/47/25/526514725.db2.gz RLNKZGUOIVKTRD-BETUJISGSA-N 1 0 318.377 1.750 20 5 DDBDRO CCO[C@@H]1COC[C@H]1[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000451932097 527785980 /nfs/dbraw/zinc/78/59/80/527785980.db2.gz CITSYHBCSRISAQ-TZMCWYRMSA-N 1 0 323.349 1.317 20 5 DDBDRO CC[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000299592612 527800230 /nfs/dbraw/zinc/80/02/30/527800230.db2.gz FWIWMZCPQYWZKY-UHFFFAOYSA-N 1 0 301.368 1.133 20 5 DDBDRO CC[N@H+]1C[C@@H](C)N(CC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000330825860 527928278 /nfs/dbraw/zinc/92/82/78/527928278.db2.gz IITFEEWEBYUZRJ-BETUJISGSA-N 1 0 320.393 1.948 20 5 DDBDRO CC(C)OC[C@@H](CO)[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000433165945 528009946 /nfs/dbraw/zinc/00/99/46/528009946.db2.gz JGCJBLGHAHMGIU-CQSZACIVSA-N 1 0 312.366 1.691 20 5 DDBDRO CCC[NH+]1CCC(NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000324055796 528202948 /nfs/dbraw/zinc/20/29/48/528202948.db2.gz HOYZWOMFWXLZDI-UHFFFAOYSA-N 1 0 324.356 1.920 20 5 DDBDRO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000424039723 529130472 /nfs/dbraw/zinc/13/04/72/529130472.db2.gz KISRJCWSDAKQRN-GFCCVEGCSA-N 1 0 307.354 1.168 20 5 DDBDRO C[NH+](C)[C@H](CNc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])C1CC1 ZINC000736758372 598386672 /nfs/dbraw/zinc/38/66/72/598386672.db2.gz GRCFSBUEXFDKRF-CYBMUJFWSA-N 1 0 317.353 1.527 20 5 DDBDRO CC[N@@H+]1CCC[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000736571074 598499479 /nfs/dbraw/zinc/49/94/79/598499479.db2.gz PHRRYZCGNLGANA-VIFPVBQESA-N 1 0 318.341 1.066 20 5 DDBDRO Cc1cc(C(=O)NCC2CC[NH+](C)CC2)c(N)c([N+](=O)[O-])c1 ZINC000104879927 696621562 /nfs/dbraw/zinc/62/15/62/696621562.db2.gz GKOJRDWZLCOYDX-UHFFFAOYSA-N 1 0 306.366 1.557 20 5 DDBDRO CC1(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)OCCO1 ZINC000773140907 697718166 /nfs/dbraw/zinc/71/81/66/697718166.db2.gz XEKLMJQOBXXMSQ-UHFFFAOYSA-N 1 0 321.377 1.916 20 5 DDBDRO C[C@@H](CN1CCCC1=O)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000749680025 700176942 /nfs/dbraw/zinc/17/69/42/700176942.db2.gz YXKUNFVKWZNAFT-SMDDNHRTSA-N 1 0 307.350 1.229 20 5 DDBDRO COCC[C@@]1([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCOC1 ZINC000773949570 697826209 /nfs/dbraw/zinc/82/62/09/697826209.db2.gz XOFUDTFBHMZTSC-LSDHHAIUSA-N 1 0 310.350 1.413 20 5 DDBDRO CC[S@](=O)CC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000774182038 697852286 /nfs/dbraw/zinc/85/22/86/697852286.db2.gz HRFRKVYWMXKQFI-IDFMNXDXSA-N 1 0 314.411 1.633 20 5 DDBDRO Cc1nn(CN2CCOCC[C@@H]2C)c2ncc([N+](=O)[O-])cc12 ZINC000774650750 697907305 /nfs/dbraw/zinc/90/73/05/697907305.db2.gz RQFIMQUUVBCDFL-JTQLQIEISA-N 1 0 305.338 1.716 20 5 DDBDRO C[C@H](O)C[N@@H+]1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000800374542 700219118 /nfs/dbraw/zinc/21/91/18/700219118.db2.gz RTVUHMXMGJIIPE-XEZPLFJOSA-N 1 0 323.393 1.015 20 5 DDBDRO C[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)CC1(O)CCOCC1 ZINC000781966864 698667605 /nfs/dbraw/zinc/66/76/05/698667605.db2.gz QBAGZWNZCPXVFM-AWEZNQCLSA-N 1 0 310.350 1.102 20 5 DDBDRO COCC[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCOC1 ZINC000786190881 699133132 /nfs/dbraw/zinc/13/31/32/699133132.db2.gz OOXHKPMGVAPKSV-CABCVRRESA-N 1 0 310.350 1.366 20 5 DDBDRO COC(=O)[C@@H]1CC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@@H]1C ZINC000787328292 699206067 /nfs/dbraw/zinc/20/60/67/699206067.db2.gz QKQBRDZKFRECBF-LERXQTSPSA-N 1 0 308.334 1.512 20 5 DDBDRO NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000787329721 699206130 /nfs/dbraw/zinc/20/61/30/699206130.db2.gz DEYFIXNZNRPAFU-ATGSNQNLSA-N 1 0 319.361 1.214 20 5 DDBDRO COC[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCO1 ZINC000789384746 699383399 /nfs/dbraw/zinc/38/33/99/699383399.db2.gz ZQDOITRPNQAWHQ-KKUMJFAQSA-N 1 0 310.350 1.412 20 5 DDBDRO NC(=O)C1([NH2+]Cc2ccc(Cl)c([N+](=O)[O-])c2)CCOCC1 ZINC000789558602 699395670 /nfs/dbraw/zinc/39/56/70/699395670.db2.gz ZUAFRRPWGJFLRF-UHFFFAOYSA-N 1 0 313.741 1.372 20 5 DDBDRO Cc1nc2n(n1)C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)CC2 ZINC000729931725 699495414 /nfs/dbraw/zinc/49/54/14/699495414.db2.gz TZDLLEMAHNAFNK-CYBMUJFWSA-N 1 0 301.350 1.908 20 5 DDBDRO Cc1cc(C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)c(N)c([N+](=O)[O-])c1 ZINC000743637068 699921043 /nfs/dbraw/zinc/92/10/43/699921043.db2.gz KXAUUXFULZNAOE-QWRGUYRKSA-N 1 0 306.366 1.698 20 5 DDBDRO C[C@@H]1OCC[C@@H]1[N@H+](CCO)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000796575365 699939815 /nfs/dbraw/zinc/93/98/15/699939815.db2.gz OILNKEAFOLEXGZ-CQDKDKBSSA-N 1 0 310.350 1.100 20 5 DDBDRO C[C@@H]1C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)Cc2ccccc21 ZINC000744385199 699947491 /nfs/dbraw/zinc/94/74/91/699947491.db2.gz MZKFFYHYVHAYNT-IUODEOHRSA-N 1 0 316.361 1.772 20 5 DDBDRO C[C@H]1CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000761074705 700839613 /nfs/dbraw/zinc/83/96/13/700839613.db2.gz FDRSQCOXOXFEPJ-LBPRGKRZSA-N 1 0 306.366 1.559 20 5 DDBDRO Cc1c(NC(=O)[C@H](C)N2CC[N@H+](C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000761076321 700840474 /nfs/dbraw/zinc/84/04/74/700840474.db2.gz NRRLOSOLCXRHFT-YPMHNXCESA-N 1 0 320.393 1.866 20 5 DDBDRO Cn1ccnc1[C@@H]1CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000767116953 701084818 /nfs/dbraw/zinc/08/48/18/701084818.db2.gz OSEKGCIFCAJLBZ-HIFRSBDPSA-N 1 0 316.361 1.851 20 5 DDBDRO Cc1ccc([C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[NH+]2CCCC2)o1 ZINC000839621514 701756646 /nfs/dbraw/zinc/75/66/46/701756646.db2.gz AWEGIPOKBNRLKE-UPJWGTAASA-N 1 0 307.350 1.506 20 5 DDBDRO COC1(C(=O)NCc2ccc(C)c([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000867995350 701879619 /nfs/dbraw/zinc/87/96/19/701879619.db2.gz ATEBFXQEEUIVIR-UHFFFAOYSA-N 1 0 307.350 1.288 20 5 DDBDRO CC(C)COC[C@H](O)C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815564325 701897594 /nfs/dbraw/zinc/89/75/94/701897594.db2.gz FWTFINRNWLQRFJ-WCQYABFASA-N 1 0 311.382 1.861 20 5 DDBDRO C[C@H]([NH2+]C1CCC(C(N)=O)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815593513 701901352 /nfs/dbraw/zinc/90/13/52/701901352.db2.gz OPEQBPTZMYJJDN-BMQDGWLCSA-N 1 0 306.366 1.872 20 5 DDBDRO C[C@@H]([NH2+][C@@H]1CC(=O)N(C2CC2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815594889 701901974 /nfs/dbraw/zinc/90/19/74/701901974.db2.gz AYSMIFFJSBSHFP-MWLCHTKSSA-N 1 0 304.350 1.591 20 5 DDBDRO COCC(COC)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000840360154 702083492 /nfs/dbraw/zinc/08/34/92/702083492.db2.gz XPGPFHRZUUJKHM-UHFFFAOYSA-N 1 0 309.366 1.378 20 5 DDBDRO O=C(Nc1ccc(C[NH+]2CCC(O)CC2)cc1)[C@@H]1CC1[N+](=O)[O-] ZINC000840407305 702099976 /nfs/dbraw/zinc/09/99/76/702099976.db2.gz FPAZJYSQAKWCME-HUUCEWRRSA-N 1 0 319.361 1.247 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(c3cc(F)c([N+](=O)[O-])cc3CO)CC[C@H]21 ZINC000866209022 706649196 /nfs/dbraw/zinc/64/91/96/706649196.db2.gz NEVSYRSBRFUYLY-ZWNOBZJWSA-N 1 0 309.341 1.757 20 5 DDBDRO CN1CC[NH+](C2CCN(c3ccc(N)cc3[N+](=O)[O-])CC2)CC1 ZINC000866213166 706651190 /nfs/dbraw/zinc/65/11/90/706651190.db2.gz MUTXULHZIVTXKS-UHFFFAOYSA-N 1 0 319.409 1.393 20 5 DDBDRO Nc1ccc(C(=O)N2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000818002361 702549548 /nfs/dbraw/zinc/54/95/48/702549548.db2.gz XEBIYCRYFWVYEU-OCCSQVGLSA-N 1 0 318.377 1.781 20 5 DDBDRO C[NH2+]CCCN(C)C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000818015023 702554411 /nfs/dbraw/zinc/55/44/11/702554411.db2.gz QLYXMTUFONSYGJ-UHFFFAOYSA-N 1 0 320.393 1.877 20 5 DDBDRO CNc1ccc(C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)cc1[N+](=O)[O-] ZINC000818017692 702555799 /nfs/dbraw/zinc/55/57/99/702555799.db2.gz OGQPUUHHXCGRBP-HNNXBMFYSA-N 1 0 304.350 1.605 20 5 DDBDRO C[NH+](C)C1(CS(=O)(=O)Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000866374171 706684090 /nfs/dbraw/zinc/68/40/90/706684090.db2.gz DRCZRNCMMUQTIV-UHFFFAOYSA-N 1 0 300.336 1.398 20 5 DDBDRO COC(=O)CC1CC([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000818332338 702637223 /nfs/dbraw/zinc/63/72/23/702637223.db2.gz LVLCMOWBKYLFNQ-MMWSSPAHSA-N 1 0 308.334 1.560 20 5 DDBDRO C[C@@H](NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[C@H](C)[NH3+] ZINC000842008046 702654107 /nfs/dbraw/zinc/65/41/07/702654107.db2.gz VCSZUMJJSJFPPZ-NWDGAFQWSA-N 1 0 321.381 1.162 20 5 DDBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H](O)[C@@H]1CCCO1 ZINC000866396129 706689079 /nfs/dbraw/zinc/68/90/79/706689079.db2.gz NLNPSVJEIVNPHY-KMUNFCNLSA-N 1 0 312.341 1.794 20 5 DDBDRO O=C(CCN1CC[C@@H]2C[NH2+]C[C@@H]21)Nc1cc([N+](=O)[O-])ccc1F ZINC000842473366 702724683 /nfs/dbraw/zinc/72/46/83/702724683.db2.gz ZLNNFVYDHJOPKR-YGRLFVJLSA-N 1 0 322.340 1.356 20 5 DDBDRO C[C@@H](C[NH3+])CNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000842787390 702773694 /nfs/dbraw/zinc/77/36/94/702773694.db2.gz NZQMWPQPVAKNQA-ZETCQYMHSA-N 1 0 307.759 1.121 20 5 DDBDRO CC[C@H]([NH3+])CNS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000842886464 702787186 /nfs/dbraw/zinc/78/71/86/702787186.db2.gz FFILELDLBLPWKC-QMMMGPOBSA-N 1 0 321.786 1.572 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]Cc2cccc(CO)n2)cc1 ZINC000843111210 702820954 /nfs/dbraw/zinc/82/09/54/702820954.db2.gz FBMBCPWSMHHJDV-HNNXBMFYSA-N 1 0 303.318 1.305 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H](CO)CN2CCCCC2)cc1 ZINC000843112600 702821217 /nfs/dbraw/zinc/82/12/17/702821217.db2.gz IRMFVOHOFICZPS-GOEBONIOSA-N 1 0 323.393 1.065 20 5 DDBDRO COc1cc(Cc2noc(CC(C)(C)[NH3+])n2)ccc1[N+](=O)[O-] ZINC000843191699 702837915 /nfs/dbraw/zinc/83/79/15/702837915.db2.gz KFANIIIWFMQAGB-UHFFFAOYSA-N 1 0 306.322 1.857 20 5 DDBDRO CN(CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000843351572 702864658 /nfs/dbraw/zinc/86/46/58/702864658.db2.gz PVCJSEHIBLTMNQ-JTQLQIEISA-N 1 0 312.757 1.480 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)NC(C)(C)CC[NH3+])cc1[N+](=O)[O-] ZINC000843501684 702895699 /nfs/dbraw/zinc/89/56/99/702895699.db2.gz NVUPBZXFRIAOTC-UHFFFAOYSA-N 1 0 310.310 1.669 20 5 DDBDRO Cc1c(C(=O)N[C@H](C)C[C@@H](C)[NH3+])cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000843509612 702896999 /nfs/dbraw/zinc/89/69/99/702896999.db2.gz ZNPAGHYWWXVKEW-HTQZYQBOSA-N 1 0 324.337 1.975 20 5 DDBDRO [NH3+]CCCCCCNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000843509797 702897369 /nfs/dbraw/zinc/89/73/69/702897369.db2.gz HLADJYBMOVBXHM-UHFFFAOYSA-N 1 0 323.349 1.615 20 5 DDBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000843893515 702938935 /nfs/dbraw/zinc/93/89/35/702938935.db2.gz OGNNCZXIKKXBTD-GXFFZTMASA-N 1 0 307.325 1.818 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@]3(CC3(F)F)C2)c1 ZINC000844435306 703031462 /nfs/dbraw/zinc/03/14/62/703031462.db2.gz BWQDBZZCPDJUCQ-RYUDHWBXSA-N 1 0 316.308 1.273 20 5 DDBDRO CC(C)[C@H]1CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000879600434 706734106 /nfs/dbraw/zinc/73/41/06/706734106.db2.gz DSZVMHCACQMVPF-HZPDHXFCSA-N 1 0 307.394 1.900 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H]2CCCn3nccc32)cc1 ZINC000850432432 703730960 /nfs/dbraw/zinc/73/09/60/703730960.db2.gz BQOHYKHQMFZVDD-UKRRQHHQSA-N 1 0 302.334 1.949 20 5 DDBDRO COC(=O)N(C)CC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000850545329 703735917 /nfs/dbraw/zinc/73/59/17/703735917.db2.gz BFGDJHFJKPCCCA-SNVBAGLBSA-N 1 0 311.338 1.952 20 5 DDBDRO O=C1OCCN1[C@@H]1CC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000852436526 704047953 /nfs/dbraw/zinc/04/79/53/704047953.db2.gz INPYGQXUUOINRZ-KGLIPLIRSA-N 1 0 321.333 1.155 20 5 DDBDRO COCCN1CCC[C@H]1C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819017837 704052247 /nfs/dbraw/zinc/05/22/47/704052247.db2.gz LSKATSWSZJLPQA-JKSUJKDBSA-N 1 0 323.393 1.329 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H]2CCN(CC3CC3)C2)cc1 ZINC000819039571 704056744 /nfs/dbraw/zinc/05/67/44/704056744.db2.gz RWDVJMDVCPPHRG-GOEBONIOSA-N 1 0 305.378 1.702 20 5 DDBDRO CC1(O)CCC([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000819134219 704074411 /nfs/dbraw/zinc/07/44/11/704074411.db2.gz ZHZIUGKPHAXTRF-CXOJTPOUSA-N 1 0 324.377 1.618 20 5 DDBDRO CCOC(=O)N1CC[C@@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000819240039 704092592 /nfs/dbraw/zinc/09/25/92/704092592.db2.gz ZBCJQGUZDWSKED-OCCSQVGLSA-N 1 0 323.349 1.449 20 5 DDBDRO CN(C)c1cccnc1C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819322508 704107483 /nfs/dbraw/zinc/10/74/83/704107483.db2.gz RFBVYNXNUFHVHD-MRXNPFEDSA-N 1 0 316.361 1.879 20 5 DDBDRO CO[C@@H]1COCC[C@H]1C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819345162 704110974 /nfs/dbraw/zinc/11/09/74/704110974.db2.gz XGMREHDZOFPXHD-NWANDNLSSA-N 1 0 310.350 1.269 20 5 DDBDRO C[C@@H](Cc1cnn(C)c1)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819353142 704111697 /nfs/dbraw/zinc/11/16/97/704111697.db2.gz MIJWPPPUZMZNME-XHDPSFHLSA-N 1 0 304.350 1.583 20 5 DDBDRO COCC(C)(C)[NH+]1CCN(Cn2cc([N+](=O)[O-])c(C)n2)CC1 ZINC000819895571 704182831 /nfs/dbraw/zinc/18/28/31/704182831.db2.gz PHDICMYNJFOAHV-UHFFFAOYSA-N 1 0 311.386 1.100 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000853966233 704341623 /nfs/dbraw/zinc/34/16/23/704341623.db2.gz QKCVPHRRPMETOK-HNNXBMFYSA-N 1 0 305.378 1.939 20 5 DDBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000854653361 704434484 /nfs/dbraw/zinc/43/44/84/704434484.db2.gz YOCKILQYBBXGNH-DDTOSNHZSA-N 1 0 307.350 1.179 20 5 DDBDRO C[C@@H](C[NH3+])CNC(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857764790 704621898 /nfs/dbraw/zinc/62/18/98/704621898.db2.gz AORGWOPQDGEVNG-QMMMGPOBSA-N 1 0 303.265 1.277 20 5 DDBDRO C[NH+](C)[C@@H]1[C@H]2CN(c3cc4c(cc3[N+](=O)[O-])CCC(=O)N4)C[C@H]21 ZINC000858562317 704727583 /nfs/dbraw/zinc/72/75/83/704727583.db2.gz LJHQYHJWYUXEPO-CDMJZVDBSA-N 1 0 316.361 1.476 20 5 DDBDRO CON(C)C(=O)[C@@H](C)[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000858587652 704731302 /nfs/dbraw/zinc/73/13/02/704731302.db2.gz ULTXVSIZAGNFEY-VXGBXAGGSA-N 1 0 309.366 1.914 20 5 DDBDRO O=[N+]([O-])c1ccc2nc(NCC[N@H+]3CC[C@H](O)C3)sc2c1 ZINC000858868126 704766613 /nfs/dbraw/zinc/76/66/13/704766613.db2.gz VNGOJRMPHUPKGD-JTQLQIEISA-N 1 0 308.363 1.683 20 5 DDBDRO C[NH2+]CCOCCNC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000859646545 704961129 /nfs/dbraw/zinc/96/11/29/704961129.db2.gz RJFUSEPOTIJHRL-UHFFFAOYSA-N 1 0 316.745 1.606 20 5 DDBDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000823113408 705143782 /nfs/dbraw/zinc/14/37/82/705143782.db2.gz XIVHQOZSCMMKSN-LBPRGKRZSA-N 1 0 301.387 1.049 20 5 DDBDRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000874850086 705203575 /nfs/dbraw/zinc/20/35/75/705203575.db2.gz NUJBKPZLAIGDOE-STQMWFEESA-N 1 0 304.350 1.486 20 5 DDBDRO C[C@@H]1[C@H](C)N(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000823968188 705347178 /nfs/dbraw/zinc/34/71/78/705347178.db2.gz MNTNISDNQSXLPM-ZJUUUORDSA-N 1 0 307.354 1.733 20 5 DDBDRO C[C@H]([NH2+]CCN1C[C@H]2CC[C@@H](C1)O2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834888171 707145823 /nfs/dbraw/zinc/14/58/23/707145823.db2.gz NEBMZBQXJJBSCT-FPMFFAJLSA-N 1 0 320.393 1.691 20 5 DDBDRO COc1cc(OCC(=O)OCC[NH+]2CCC2)ccc1[N+](=O)[O-] ZINC000861387340 705453713 /nfs/dbraw/zinc/45/37/13/705453713.db2.gz YGQJGMCUOHYMJI-UHFFFAOYSA-N 1 0 310.306 1.231 20 5 DDBDRO CC1CC[NH+](CCNC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000825078714 705595124 /nfs/dbraw/zinc/59/51/24/705595124.db2.gz AKRSLBJBUKUSJJ-HNNXBMFYSA-N 1 0 321.377 1.476 20 5 DDBDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825118400 705604058 /nfs/dbraw/zinc/60/40/58/705604058.db2.gz SMTZNJCTSZGBEJ-ILXRZTDVSA-N 1 0 319.361 1.371 20 5 DDBDRO CC[NH+](CC)C[C@@H](C)NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825891228 705741752 /nfs/dbraw/zinc/74/17/52/705741752.db2.gz HPOKNVXIUWYJTR-BXUZGUMPSA-N 1 0 309.366 1.475 20 5 DDBDRO Cc1ccc([C@@H](C)NC(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)cc1[N+](=O)[O-] ZINC000876701864 705826344 /nfs/dbraw/zinc/82/63/44/705826344.db2.gz YWVBVKHMQKVKQX-QRTLGDNMSA-N 1 0 313.304 1.920 20 5 DDBDRO O=C(NCC[N@H+]1CC[C@@H](O)C1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000863322441 705900827 /nfs/dbraw/zinc/90/08/27/705900827.db2.gz VOZAAMIGDRFXOF-SECBINFHSA-N 1 0 313.741 1.045 20 5 DDBDRO O=C1[C@@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCN1C1CCC1 ZINC000863590170 705965442 /nfs/dbraw/zinc/96/54/42/705965442.db2.gz FFMSRUMXRBKZLE-LSDHHAIUSA-N 1 0 319.361 1.371 20 5 DDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@@H](CO)Cc3ccccc3)C2)c1 ZINC000877037358 705968171 /nfs/dbraw/zinc/96/81/71/705968171.db2.gz OENHYZBANBIAKT-SHARSMKWSA-N 1 0 316.361 1.688 20 5 DDBDRO CC(C)N1CC[C@@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C1=O ZINC000877047010 705971362 /nfs/dbraw/zinc/97/13/62/705971362.db2.gz RYQUJBXMTPFFQK-GCZXYKMCSA-N 1 0 307.354 1.094 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000827328341 705976297 /nfs/dbraw/zinc/97/62/97/705976297.db2.gz DWTPPJCEGZMBLM-CHWSQXEVSA-N 1 0 321.381 1.042 20 5 DDBDRO C[C@@H]([NH3+])CN(C)C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000877096535 705981811 /nfs/dbraw/zinc/98/18/11/705981811.db2.gz JJIZVYQZKGUUNO-LLVKDONJSA-N 1 0 306.366 1.614 20 5 DDBDRO CN(CC(=O)N1CCC[C@H]2[NH2+]CC[C@H]21)c1ccccc1[N+](=O)[O-] ZINC000877278992 706046316 /nfs/dbraw/zinc/04/63/16/706046316.db2.gz QECOLLZTTLTRAR-CHWSQXEVSA-N 1 0 318.377 1.384 20 5 DDBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877285560 706048547 /nfs/dbraw/zinc/04/85/47/706048547.db2.gz VHIXTQZJONHTKJ-JSGCOSHPSA-N 1 0 318.377 1.750 20 5 DDBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000877394529 706093700 /nfs/dbraw/zinc/09/37/00/706093700.db2.gz VSILITKJYWQYBT-GDBMZVCRSA-N 1 0 303.362 1.928 20 5 DDBDRO Cc1ccc(CNC(=S)NC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000865264399 706391398 /nfs/dbraw/zinc/39/13/98/706391398.db2.gz WSLFOSKAZFCHNA-UHFFFAOYSA-N 1 0 322.434 1.962 20 5 DDBDRO C[NH+](C)C[C@@]1(O)CCCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000878866785 706519891 /nfs/dbraw/zinc/51/98/91/706519891.db2.gz XDYCIBUPOHDUAF-CVEARBPZSA-N 1 0 323.393 1.017 20 5 DDBDRO C[NH+](C)C[C@@]1(O)CCCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000878868106 706520055 /nfs/dbraw/zinc/52/00/55/706520055.db2.gz LJWFBBHSXYSQQC-CVEARBPZSA-N 1 0 323.393 1.017 20 5 DDBDRO Cc1ccc(C[NH2+]C[C@]23COC(=O)N2CCOC3)cc1[N+](=O)[O-] ZINC000865769732 706521280 /nfs/dbraw/zinc/52/12/80/706521280.db2.gz XYJPXZZFFOPAQP-HNNXBMFYSA-N 1 0 321.333 1.214 20 5 DDBDRO O=C1NCCC12CC[NH+](CCOc1ccc([N+](=O)[O-])cc1)CC2 ZINC000879918297 706819347 /nfs/dbraw/zinc/81/93/47/706819347.db2.gz ZQZIBQHIZBEWRG-UHFFFAOYSA-N 1 0 319.361 1.576 20 5 DDBDRO C[C@H](NC[C@H]1C[N@H+](C)CCN1C)c1c(F)cccc1[N+](=O)[O-] ZINC000872036704 707284240 /nfs/dbraw/zinc/28/42/40/707284240.db2.gz VKXWGKMFSIKDOI-RYUDHWBXSA-N 1 0 310.373 1.630 20 5 DDBDRO CC1(C)CO[C@@H](C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000872243227 707346018 /nfs/dbraw/zinc/34/60/18/707346018.db2.gz LOOLICXTEWCCHI-UKRRQHHQSA-N 1 0 324.377 1.739 20 5 DDBDRO CC[C@@H](C)[NH+]1CCN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000837006304 707563323 /nfs/dbraw/zinc/56/33/23/707563323.db2.gz DCSRDGNOUXDCDR-DOMZBBRYSA-N 1 0 321.377 1.571 20 5 DDBDRO CC1(C)CCC[N@@H+]1CCNC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000837175150 707592039 /nfs/dbraw/zinc/59/20/39/707592039.db2.gz PBWPMFOCBVAEGR-UHFFFAOYSA-N 1 0 324.356 1.920 20 5 DDBDRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2c1nc2sccn2c1[N+](=O)[O-] ZINC000872779842 707597059 /nfs/dbraw/zinc/59/70/59/707597059.db2.gz IWZUHWKZZBEOFM-ZJUUUORDSA-N 1 0 307.379 1.977 20 5 DDBDRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000872781506 707597412 /nfs/dbraw/zinc/59/74/12/707597412.db2.gz UQKWXPOCQJOZJA-QWRGUYRKSA-N 1 0 302.338 1.310 20 5 DDBDRO CC[N@@H+]1CC[C@H]1CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000882480312 707650305 /nfs/dbraw/zinc/65/03/05/707650305.db2.gz PWFVRBAXXPUEMC-JTQLQIEISA-N 1 0 321.333 1.190 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC000873008039 707692942 /nfs/dbraw/zinc/69/29/42/707692942.db2.gz CMSLZFYOYZSSFR-LBPRGKRZSA-N 1 0 312.391 1.736 20 5 DDBDRO Cc1c(C[NH2+]C[C@@H]2CC[C@@H](C(=O)N(C)C)O2)cccc1[N+](=O)[O-] ZINC000873100936 707732090 /nfs/dbraw/zinc/73/20/90/707732090.db2.gz JFLDRMWLZHQZRB-ZFWWWQNUSA-N 1 0 321.377 1.629 20 5 DDBDRO Cc1c(C[NH2+][C@H]2CC[C@H](C)S(=O)(=O)C2)cccc1[N+](=O)[O-] ZINC000873136611 707745313 /nfs/dbraw/zinc/74/53/13/707745313.db2.gz FLPLYUXXTAFIHI-GWCFXTLKSA-N 1 0 312.391 1.959 20 5 DDBDRO O=[N+]([O-])c1ncccc1N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000882724850 707762046 /nfs/dbraw/zinc/76/20/46/707762046.db2.gz DMRBKUVVGRHFST-CYBMUJFWSA-N 1 0 306.366 1.727 20 5 DDBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCCc1nnnn1C ZINC000898040125 708525963 /nfs/dbraw/zinc/52/59/63/708525963.db2.gz OOSVZLOGMQAGDD-FMIVXFBMSA-N 1 0 316.365 1.744 20 5 DDBDRO COC(=O)C[C@@H]1CC[C@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000898479504 708651693 /nfs/dbraw/zinc/65/16/93/708651693.db2.gz XRMASYSITIFIHJ-IALDZJHCSA-N 1 0 322.365 1.816 20 5 DDBDRO Cc1c(C[NH+]2CCC(O)(COCCO)CC2)cccc1[N+](=O)[O-] ZINC000886738820 708830323 /nfs/dbraw/zinc/83/03/23/708830323.db2.gz GLTQGEUMLSSVKL-UHFFFAOYSA-N 1 0 324.377 1.239 20 5 DDBDRO [NH3+]Cc1ccc2c(c1)N(Cc1cccnc1[N+](=O)[O-])CCO2 ZINC000886841710 708859201 /nfs/dbraw/zinc/85/92/01/708859201.db2.gz STLJDEBFIKCBLI-UHFFFAOYSA-N 1 0 300.318 1.848 20 5 DDBDRO CCN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@H]1CC[NH2+]C1 ZINC000886854267 708865138 /nfs/dbraw/zinc/86/51/38/708865138.db2.gz HOYRDSMTPHCVKO-ZDUSSCGKSA-N 1 0 317.349 1.829 20 5 DDBDRO CCOc1ccc(C(=O)N2CCC([NH2+]CC[N+](=O)[O-])CC2)cc1 ZINC000899864754 709221172 /nfs/dbraw/zinc/22/11/72/709221172.db2.gz NEYVHIPVRSAPAM-UHFFFAOYSA-N 1 0 321.377 1.556 20 5 DDBDRO Cc1cccc(C(=O)N2CCN(C)CCN(C)CC2)c1[N+](=O)[O-] ZINC000888996719 709427547 /nfs/dbraw/zinc/42/75/47/709427547.db2.gz CBJBWNZKYUOXLW-UHFFFAOYSA-N 1 0 320.393 1.223 20 5 DDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000891608372 710247186 /nfs/dbraw/zinc/24/71/86/710247186.db2.gz VTSFWKVMRAYIHK-HIFRSBDPSA-N 1 0 318.377 1.673 20 5 DDBDRO C[C@@H](NC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1[N+](=O)[O-] ZINC000891751706 710284710 /nfs/dbraw/zinc/28/47/10/710284710.db2.gz UJUULDAFSKYPKB-UTUOFQBUSA-N 1 0 304.350 1.802 20 5 DDBDRO CCN(C(=O)NCc1cccc([N+](=O)[O-])c1C)[C@@H]1CC[NH2+]C1 ZINC000891848582 710308673 /nfs/dbraw/zinc/30/86/73/710308673.db2.gz IEULPKNASQCOIN-CYBMUJFWSA-N 1 0 306.366 1.797 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000892154115 710382449 /nfs/dbraw/zinc/38/24/49/710382449.db2.gz VUGATXQQNRNJIW-UHFFFAOYSA-N 1 0 322.413 1.299 20 5 DDBDRO COc1cc[nH+]c(N2CCN(c3c([N+](=O)[O-])cnn3C)CC2)c1 ZINC000892341641 710420264 /nfs/dbraw/zinc/42/02/64/710420264.db2.gz YKUVBSKEJCIQJK-UHFFFAOYSA-N 1 0 318.337 1.059 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CCOC(=O)C12CCC[NH+](CCC1)C2 ZINC000892567214 710460797 /nfs/dbraw/zinc/46/07/97/710460797.db2.gz YMYXDEFNWKTUDR-UHFFFAOYSA-N 1 0 322.365 1.519 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1C ZINC000928438955 713196603 /nfs/dbraw/zinc/19/66/03/713196603.db2.gz VFZNLKJHLJPXBT-WDEREUQCSA-N 1 0 307.350 1.816 20 5 DDBDRO C[NH+](C)C1(C)CCN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000913389373 713207236 /nfs/dbraw/zinc/20/72/36/713207236.db2.gz CERMCDYNWLKVQB-AWEZNQCLSA-N 1 0 321.377 1.571 20 5 DDBDRO [NH3+]C[C@H]1CCN(C(=O)CCc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000911739541 710958942 /nfs/dbraw/zinc/95/89/42/710958942.db2.gz XQAHZDSCAMYINY-SNVBAGLBSA-N 1 0 311.769 1.988 20 5 DDBDRO C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C[C@H](C)[NH2+]1 ZINC000911799178 710998222 /nfs/dbraw/zinc/99/82/22/710998222.db2.gz FXWIXTQUJHXBHL-IDTSFGKNSA-N 1 0 303.362 1.907 20 5 DDBDRO COc1cc([C@@H](C)[NH2+][C@H]2CCCCNC2=O)cc([N+](=O)[O-])c1 ZINC000903064556 711021572 /nfs/dbraw/zinc/02/15/72/711021572.db2.gz CLTVAILCAGIPNN-YGRLFVJLSA-N 1 0 307.350 1.923 20 5 DDBDRO COCCN1CC[C@@H]([NH2+][C@@H](C)c2cc(OC)cc([N+](=O)[O-])c2)C1 ZINC000903093156 711030130 /nfs/dbraw/zinc/03/01/30/711030130.db2.gz PNHUKSDSSXJKTM-GXTWGEPZSA-N 1 0 323.393 1.975 20 5 DDBDRO C[NH2+]CCN(C(C)C)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000903589715 711212574 /nfs/dbraw/zinc/21/25/74/711212574.db2.gz ISFMNHZLXOXDIS-UHFFFAOYSA-N 1 0 307.397 1.275 20 5 DDBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CC([NH+]2CCCC2)C1 ZINC000912320428 711277307 /nfs/dbraw/zinc/27/73/07/711277307.db2.gz ASTAKGTYZJWVRW-UHFFFAOYSA-N 1 0 307.325 1.963 20 5 DDBDRO CN(CCOc1ccc([N+](=O)[O-])cc1)C1(C[NH3+])CCOCC1 ZINC000903807525 711286706 /nfs/dbraw/zinc/28/67/06/711286706.db2.gz HJNUQTINRPRRCN-UHFFFAOYSA-N 1 0 309.366 1.413 20 5 DDBDRO C[NH+](C)C[C@@]1(O)CCN(c2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC000895009005 711365143 /nfs/dbraw/zinc/36/51/43/711365143.db2.gz MZOFEATYQGCGPN-HNNXBMFYSA-N 1 0 317.349 1.041 20 5 DDBDRO C[NH+](C)C[C@@]1(O)CCN(c2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000895010868 711365901 /nfs/dbraw/zinc/36/59/01/711365901.db2.gz WYYWPAURWJJPDW-ZDUSSCGKSA-N 1 0 323.378 1.102 20 5 DDBDRO C[C@@H](CNC(=O)NC[C@H](C)[NH+](C)C)c1ccccc1[N+](=O)[O-] ZINC000895205736 711453113 /nfs/dbraw/zinc/45/31/13/711453113.db2.gz TWEBNXKJDQJXOX-RYUDHWBXSA-N 1 0 308.382 1.948 20 5 DDBDRO C[C@](CO)(NC(=O)C12CC[NH+](CC1)C2)c1cccc([N+](=O)[O-])c1 ZINC000913659351 713276589 /nfs/dbraw/zinc/27/65/89/713276589.db2.gz IGAMMFBMHFGNJZ-OAHLLOKOSA-N 1 0 319.361 1.014 20 5 DDBDRO CN(C(=O)COC1CC[NH+](C)CC1)c1ccc([N+](=O)[O-])nc1 ZINC000905028141 711912876 /nfs/dbraw/zinc/91/28/76/711912876.db2.gz XLCKWTXJXWYGKT-UHFFFAOYSA-N 1 0 308.338 1.063 20 5 DDBDRO O=[N+]([O-])CC[NH2+][C@@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000905120082 711942355 /nfs/dbraw/zinc/94/23/55/711942355.db2.gz SWEKXGWGFBRKRG-SNVBAGLBSA-N 1 0 301.293 1.733 20 5 DDBDRO CC[C@H]([NH2+]CC[N+](=O)[O-])[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000905185545 711962096 /nfs/dbraw/zinc/96/20/96/711962096.db2.gz CGXITHDNGGHOSC-LSDHHAIUSA-N 1 0 303.366 1.821 20 5 DDBDRO C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000905291866 711995091 /nfs/dbraw/zinc/99/50/91/711995091.db2.gz WREMIQAODJRHJE-LDYMZIIASA-N 1 0 315.276 1.291 20 5 DDBDRO CN1C[C@@H](CC[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1=O ZINC000905533481 712068063 /nfs/dbraw/zinc/06/80/63/712068063.db2.gz PYSXEGYJMJIDSM-SMDDNHRTSA-N 1 0 307.350 1.086 20 5 DDBDRO CC(C)O[C@@]1(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCOC1 ZINC000905557452 712076944 /nfs/dbraw/zinc/07/69/44/712076944.db2.gz OGSFVBQKZXITDE-HZPDHXFCSA-N 1 0 324.377 1.802 20 5 DDBDRO C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCS1 ZINC000905611918 712094947 /nfs/dbraw/zinc/09/49/47/712094947.db2.gz ZLXYNHZZSFCLCX-JFGNBEQYSA-N 1 0 300.384 1.026 20 5 DDBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@H]2COC[C@H]2C)cccc1[N+](=O)[O-] ZINC000905864731 712169377 /nfs/dbraw/zinc/16/93/77/712169377.db2.gz FTAJOIXJCNTKFP-CDMKHQONSA-N 1 0 307.350 1.855 20 5 DDBDRO C[C@H](CNC(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2)[NH+](C)C ZINC000906073095 712237727 /nfs/dbraw/zinc/23/77/27/712237727.db2.gz NMPSIJQZFBVKRH-SNVBAGLBSA-N 1 0 323.349 1.436 20 5 DDBDRO [NH3+]C[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000906628824 712374143 /nfs/dbraw/zinc/37/41/43/712374143.db2.gz XGXJDPXPTIMCQD-CQDKDKBSSA-N 1 0 303.362 1.896 20 5 DDBDRO O=C(NC[C@@H]1CCCC[NH2+]1)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000906633013 712374859 /nfs/dbraw/zinc/37/48/59/712374859.db2.gz DAVNRKVWIAJUOJ-CFVMTHIKSA-N 1 0 303.362 1.957 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC3(C[NH+](C)C3)C2)c1C ZINC000907764464 712623497 /nfs/dbraw/zinc/62/34/97/712623497.db2.gz TZNYZRBXKVODAO-UHFFFAOYSA-N 1 0 303.362 1.989 20 5 DDBDRO C[C@H](NC(=O)C1CN(C)CC[N@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000908511390 712793195 /nfs/dbraw/zinc/79/31/95/712793195.db2.gz DKTVABFYGRQOIW-LBPRGKRZSA-N 1 0 320.393 1.265 20 5 DDBDRO C[NH+](C)C(C)(C)CNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000915287399 713415605 /nfs/dbraw/zinc/41/56/05/713415605.db2.gz DGCDJGKCVJTHPT-UHFFFAOYSA-N 1 0 319.365 1.401 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+]C(C)(C)CO ZINC000916572459 713458604 /nfs/dbraw/zinc/45/86/04/713458604.db2.gz IVVACCLVWZHMPF-SECBINFHSA-N 1 0 311.338 1.291 20 5 DDBDRO CC[N@@H+]1CC[C@H]1CNC(=O)CCOc1cc(C)ccc1[N+](=O)[O-] ZINC000922164754 713980130 /nfs/dbraw/zinc/98/01/30/713980130.db2.gz RHRWMDDCHAYKRJ-ZDUSSCGKSA-N 1 0 321.377 1.883 20 5 DDBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCN(C)[C@@H](CO)C1 ZINC000931408731 714087779 /nfs/dbraw/zinc/08/77/79/714087779.db2.gz DRZWCMSTMDMYBH-OAHLLOKOSA-N 1 0 323.393 1.490 20 5 DDBDRO O=[N+]([O-])c1ccc(CCN2CC[NH+](CCCCCO)CC2)cc1 ZINC000931500912 714113075 /nfs/dbraw/zinc/11/30/75/714113075.db2.gz QUTAQRFZQHSLSA-UHFFFAOYSA-N 1 0 321.421 1.918 20 5 DDBDRO C[NH2+]C1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000923286061 714297789 /nfs/dbraw/zinc/29/77/89/714297789.db2.gz GSOOBVIPLSQJSH-AWEZNQCLSA-N 1 0 309.366 1.018 20 5 DDBDRO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000923329165 714316142 /nfs/dbraw/zinc/31/61/42/714316142.db2.gz GVMSVNPXJLZSSL-NQKGRLOXSA-N 1 0 305.378 1.972 20 5 DDBDRO CN(Cc1cc([N+](=O)[O-])ccc1Br)C[C@@H](O)C[NH3+] ZINC000923367767 714329736 /nfs/dbraw/zinc/32/97/36/714329736.db2.gz XIPQCRUEEZYWLU-JTQLQIEISA-N 1 0 318.171 1.109 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1[C@H](C)C[NH2+][C@H](C)[C@H]1C ZINC000923442176 714356821 /nfs/dbraw/zinc/35/68/21/714356821.db2.gz NINHJKPPAXLQAK-JHJVBQTASA-N 1 0 320.393 1.912 20 5 DDBDRO O=C1NC[C@@H](O)CC12CC[NH+](Cc1ccccc1[N+](=O)[O-])CC2 ZINC000932831032 714421767 /nfs/dbraw/zinc/42/17/67/714421767.db2.gz LCFNWULEEVYOHX-ZDUSSCGKSA-N 1 0 319.361 1.058 20 5 DDBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Cn2c(C)ncc2[N+](=O)[O-])C[C@H]1C ZINC000933372687 714574657 /nfs/dbraw/zinc/57/46/57/714574657.db2.gz UPNUBXYBWPCHSM-YPMHNXCESA-N 1 0 323.397 1.431 20 5 DDBDRO NC(=O)[C@]12CCC[C@H]1C[N@H+](CCOc1ccccc1[N+](=O)[O-])C2 ZINC000933758444 714665501 /nfs/dbraw/zinc/66/55/01/714665501.db2.gz ATDPCLIDBPVLHX-LRDDRELGSA-N 1 0 319.361 1.561 20 5 DDBDRO O=C1NCC2(CCOCC2)[C@@H]1[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000925155667 714761474 /nfs/dbraw/zinc/76/14/74/714761474.db2.gz XDOZZGOSIUZEMS-CQSZACIVSA-N 1 0 319.361 1.022 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)NCC[N@@H+]1CCCC(C)(C)C1 ZINC000935679046 715116110 /nfs/dbraw/zinc/11/61/10/715116110.db2.gz WBMCNXXJXRPHBY-UHFFFAOYSA-N 1 0 323.397 1.338 20 5 DDBDRO CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1C[NH+](CC2CCCCC2)C1 ZINC000950055719 720469836 /nfs/dbraw/zinc/46/98/36/720469836.db2.gz NFCOAKGURLNSHK-HUUCEWRRSA-N 1 0 309.410 1.765 20 5 DDBDRO CCOC(=O)c1ccnc(N2CCC[C@@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000077963319 721898468 /nfs/dbraw/zinc/89/84/68/721898468.db2.gz YBAFIZNDNMKNEU-LLVKDONJSA-N 1 0 322.365 1.697 20 5 DDBDRO Cc1nc(Cl)nc(-n2ccnc2[C@H]2CCC[NH2+]C2)c1[N+](=O)[O-] ZINC001167055470 732354792 /nfs/dbraw/zinc/35/47/92/732354792.db2.gz JDXWNFGCDCFPRC-VIFPVBQESA-N 1 0 322.756 1.999 20 5 DDBDRO C[NH2+]Cc1c(C)nn(-c2nc(C)nc(Cl)c2[N+](=O)[O-])c1C ZINC001167098710 732605283 /nfs/dbraw/zinc/60/52/83/732605283.db2.gz VHNUJBNHEWUFRU-UHFFFAOYSA-N 1 0 310.745 1.869 20 5 DDBDRO Cc1[nH]ccc1C(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001125430027 733311215 /nfs/dbraw/zinc/31/12/15/733311215.db2.gz SPAACNOSBWNJMT-UHFFFAOYSA-N 1 0 308.363 1.812 20 5 DDBDRO CCN(CCNC(=O)CC[NH+](C)C)c1ccc([N+](=O)[O-])c(C)c1 ZINC001100700789 736178927 /nfs/dbraw/zinc/17/89/27/736178927.db2.gz LOUOYGAPRYLZGQ-UHFFFAOYSA-N 1 0 322.409 1.797 20 5 DDBDRO [NH3+]Cc1nn(-c2ccc([N+](=O)[O-])c3c2CNC3=O)c2ccccc12 ZINC001167701982 736308489 /nfs/dbraw/zinc/30/84/89/736308489.db2.gz ZAJIZCZVXCTMOX-UHFFFAOYSA-N 1 0 323.312 1.636 20 5 DDBDRO [NH2+]=C(NCCCC[NH3+])Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC001167877644 739165937 /nfs/dbraw/zinc/16/59/37/739165937.db2.gz IFJBCXKTXKQJOY-UHFFFAOYSA-N 1 0 302.338 1.818 20 5 DDBDRO COC(=O)[C@@H](CCC[NH3+])Nc1cnc(Cl)cc1[N+](=O)[O-] ZINC001167896325 739198716 /nfs/dbraw/zinc/19/87/16/739198716.db2.gz SGTBEGYNIOMDRV-SSDOTTSWSA-N 1 0 302.718 1.336 20 5 DDBDRO Cc1ccccc1CCC[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126938510 742872218 /nfs/dbraw/zinc/87/22/18/742872218.db2.gz CDGQJUNPVCDEDV-HUUCEWRRSA-N 1 0 305.378 1.299 20 5 DDBDRO CCn1nc(C)c(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)n1 ZINC001182509066 743650821 /nfs/dbraw/zinc/65/08/21/743650821.db2.gz QVTYZFJFIRLOJC-UHFFFAOYSA-N 1 0 305.342 1.204 20 5 DDBDRO O=[N+]([O-])c1ccc(Nc2cc[nH+]c(N3CCOCC3)c2)cn1 ZINC001203568526 743840438 /nfs/dbraw/zinc/84/04/38/743840438.db2.gz CEZDHSHCEWRENF-UHFFFAOYSA-N 1 0 301.306 1.965 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@H]([C@H]2CCCO2)C2(CO)CCC2)c1 ZINC001195580120 746645567 /nfs/dbraw/zinc/64/55/67/746645567.db2.gz ZXGYBQBHRHSLRT-KGLIPLIRSA-N 1 0 324.381 1.091 20 5 DDBDRO Cc1cc(C[NH+]2CC(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c(C)s1 ZINC001031660948 747333450 /nfs/dbraw/zinc/33/34/50/747333450.db2.gz XZKPQYACBHLWFN-ZIAGYGMSSA-N 1 0 323.418 1.578 20 5 DDBDRO CC[NH+](CC)CC(=O)NCCN(C)c1ccccc1[N+](=O)[O-] ZINC001100121181 761909185 /nfs/dbraw/zinc/90/91/85/761909185.db2.gz KCNPZMWJOVCVKS-UHFFFAOYSA-N 1 0 308.382 1.489 20 5 DDBDRO Cc1nc(C[NH2+]C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)oc1C ZINC000996429718 749589144 /nfs/dbraw/zinc/58/91/44/749589144.db2.gz ULXDAKVRNOTBAR-CHWSQXEVSA-N 1 0 322.365 1.037 20 5 DDBDRO CC[NH+](CC)CC(=O)NCCN(C)c1cc(C)c([N+](=O)[O-])cn1 ZINC001100125763 762022206 /nfs/dbraw/zinc/02/22/06/762022206.db2.gz LQRDMBHKMCOKQY-UHFFFAOYSA-N 1 0 323.397 1.192 20 5 DDBDRO CC(=O)NCC[NH+]1CCC(Nc2ncc([N+](=O)[O-])cc2C)CC1 ZINC001111309114 750443595 /nfs/dbraw/zinc/44/35/95/750443595.db2.gz DZMNSELGHAGHJX-UHFFFAOYSA-N 1 0 321.381 1.311 20 5 DDBDRO O=C(NCc1ccc(C[NH2+]CC2CCC2)cc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001034815714 750916429 /nfs/dbraw/zinc/91/64/29/750916429.db2.gz BTIFREWGSXSUQT-HZPDHXFCSA-N 1 0 317.389 1.858 20 5 DDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]C2CCN(c3ncccn3)CC2)C1 ZINC001168965807 762157489 /nfs/dbraw/zinc/15/74/89/762157489.db2.gz CNYLBCGBUAOOOA-JSGCOSHPSA-N 1 0 305.382 1.480 20 5 DDBDRO O=C(C[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)N1CCc2ccccc21 ZINC001168967687 762158485 /nfs/dbraw/zinc/15/84/85/762158485.db2.gz SLKSJYKHSJPRRD-OCCSQVGLSA-N 1 0 303.362 1.611 20 5 DDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2ccnc(OC3CCC3)n2)C1 ZINC001168994619 762167814 /nfs/dbraw/zinc/16/78/14/762167814.db2.gz QNAKDNIQRGRGGL-NWDGAFQWSA-N 1 0 306.366 1.943 20 5 DDBDRO COCc1cccc([C@H](CO)[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001169004463 762174014 /nfs/dbraw/zinc/17/40/14/762174014.db2.gz QZVYKYQKPCUTNF-MAZHCROVSA-N 1 0 308.378 1.901 20 5 DDBDRO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169007215 762175065 /nfs/dbraw/zinc/17/50/65/762175065.db2.gz LWUCKTKQSZHBRU-XQLPTFJDSA-N 1 0 317.389 1.713 20 5 DDBDRO O=C1N(c2ccccc2)CC12C[NH+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169037713 762192724 /nfs/dbraw/zinc/19/27/24/762192724.db2.gz SZWGMBHIJHENLH-ZFWWWQNUSA-N 1 0 315.373 1.781 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CC[C@]3(CCN3c3ncccn3)C2)C1 ZINC001169019736 762199824 /nfs/dbraw/zinc/19/98/24/762199824.db2.gz JEJZIQYLZAAPHA-FMKPAKJESA-N 1 0 317.393 1.577 20 5 DDBDRO Cc1nccnc1O[C@@H]1CC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169051989 762206844 /nfs/dbraw/zinc/20/68/44/762206844.db2.gz DYYQVNSAPAUZHP-BFHYXJOUSA-N 1 0 306.366 1.684 20 5 DDBDRO O=C(NC1CC1)[C@H]1C[C@H]2C[N@@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@H]2C1 ZINC001169023545 762201306 /nfs/dbraw/zinc/20/13/06/762201306.db2.gz OYWUCPYYTJYXPR-AQDIXCGQSA-N 1 0 321.421 1.668 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@H](Oc3ncccn3)C2)C1 ZINC001169053132 762207973 /nfs/dbraw/zinc/20/79/73/762207973.db2.gz HQHGIWFPRMVVCW-MCIONIFRSA-N 1 0 306.366 1.765 20 5 DDBDRO [NH3+]Cc1cccc2c1cnn2-c1ccc([N+](=O)[O-])c2c1CNC2=O ZINC001169195995 762276154 /nfs/dbraw/zinc/27/61/54/762276154.db2.gz XRWHAFJLCGEVAL-UHFFFAOYSA-N 1 0 323.312 1.636 20 5 DDBDRO C[C@@H]([NH3+])c1ccn(-c2ncnc3cc(F)c([N+](=O)[O-])cc32)n1 ZINC001169229535 762291245 /nfs/dbraw/zinc/29/12/45/762291245.db2.gz JXNYXDQFNGQQEG-SSDOTTSWSA-N 1 0 302.269 1.883 20 5 DDBDRO CCCCC(=O)[C@H](C)Nc1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-] ZINC001169548545 762497180 /nfs/dbraw/zinc/49/71/80/762497180.db2.gz YSAZXYWHPKGVPU-VIFPVBQESA-N 1 0 307.354 1.631 20 5 DDBDRO COC(=O)Cc1ccc(N[C@H](C)[C@@H]2C[NH2+]CCO2)cc1[N+](=O)[O-] ZINC001170569580 768182723 /nfs/dbraw/zinc/18/27/23/768182723.db2.gz JVDCMZVOQCMDKM-YGRLFVJLSA-N 1 0 323.349 1.099 20 5 DDBDRO COc1nc(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)co1 ZINC001131920895 768489053 /nfs/dbraw/zinc/48/90/53/768489053.db2.gz NTTIBXNCBFLFFP-UHFFFAOYSA-N 1 0 320.305 1.111 20 5 DDBDRO Cc1cnn(C)c1C(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001132548527 768974873 /nfs/dbraw/zinc/97/48/73/768974873.db2.gz NYMHJCSFYNFMSZ-UHFFFAOYSA-N 1 0 317.349 1.156 20 5 DDBDRO Cc1c(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])ccn1C ZINC001133491794 769894039 /nfs/dbraw/zinc/89/40/39/769894039.db2.gz HXZIOIXICKFTHL-UHFFFAOYSA-N 1 0 316.361 1.761 20 5 DDBDRO Cc1c(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)ccn1C ZINC001133492485 769895795 /nfs/dbraw/zinc/89/57/95/769895795.db2.gz PFLXHKSYHRZAKZ-UHFFFAOYSA-N 1 0 316.361 1.761 20 5 DDBDRO O=[N+]([O-])c1cnc(N[C@H]2C[NH2+]C[C@H]2CO)c(C(F)(F)F)c1 ZINC001170780695 771246867 /nfs/dbraw/zinc/24/68/67/771246867.db2.gz OBFJVZOWJKZBCD-RCOVLWMOSA-N 1 0 306.244 1.001 20 5 DDBDRO O=[N+]([O-])c1cc(N[C@@H]2C[NH2+]C[C@@H]2CO)ccc1OC(F)(F)F ZINC001170781371 771250571 /nfs/dbraw/zinc/25/05/71/771250571.db2.gz QWZUXOBUQCWXAF-VXNVDRBHSA-N 1 0 321.255 1.486 20 5 DDBDRO CCC[N@H+](C)CC(=O)N[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC001097053150 771599903 /nfs/dbraw/zinc/59/99/03/771599903.db2.gz LPVBEKKKFYVWQE-HAQNSBGRSA-N 1 0 321.381 1.391 20 5 DDBDRO C[C@H](CNC(=O)c1cnc(N)c([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC001136316154 771935501 /nfs/dbraw/zinc/93/55/01/771935501.db2.gz SOFMMPHFZXSIOO-SNVBAGLBSA-N 1 0 307.354 1.034 20 5 DDBDRO CC(C)(C(=O)NCCNc1ccccc1[N+](=O)[O-])[NH+]1CCCC1 ZINC001094033650 775360139 /nfs/dbraw/zinc/36/01/39/775360139.db2.gz VQLHVOREGFXHFL-UHFFFAOYSA-N 1 0 320.393 1.997 20 5 DDBDRO C[NH+](C)C1(C(=O)NCCCNc2ccc([N+](=O)[O-])cc2)CCC1 ZINC001094621793 776142044 /nfs/dbraw/zinc/14/20/44/776142044.db2.gz GWMAFEUPSKVNGW-UHFFFAOYSA-N 1 0 320.393 1.997 20 5 DDBDRO C[NH+](C)CCC(=O)NCCCNc1ccc([N+](=O)[O-])cc1F ZINC001094752358 776248648 /nfs/dbraw/zinc/24/86/48/776248648.db2.gz OXJUGTMDAFRION-UHFFFAOYSA-N 1 0 312.345 1.604 20 5 DDBDRO CC(C)NC(=O)C[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172900483 776915081 /nfs/dbraw/zinc/91/50/81/776915081.db2.gz UGPXYMFXRMUEPV-AWEZNQCLSA-N 1 0 305.378 1.956 20 5 DDBDRO C[C@H]1CN([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC(=O)N1 ZINC001172907532 776917931 /nfs/dbraw/zinc/91/79/31/776917931.db2.gz GXQVGZYIALVFLJ-FZMZJTMJSA-N 1 0 303.362 1.663 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@H]2COC(=O)C2)c1F ZINC001173188917 777036453 /nfs/dbraw/zinc/03/64/53/777036453.db2.gz MFNQWCGBCPMUBP-RKDXNWHRSA-N 1 0 312.297 1.579 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@H]2COC[C@@H]2F)c1F ZINC001173187142 777036566 /nfs/dbraw/zinc/03/65/66/777036566.db2.gz XUPKRHOUANDFQD-MIMYLULJSA-N 1 0 316.304 2.000 20 5 DDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCN1CCC[C@@H](O)C1 ZINC001173219541 777051610 /nfs/dbraw/zinc/05/16/10/777051610.db2.gz NQRVFSDXAHCBGX-XJKSGUPXSA-N 1 0 307.394 1.572 20 5 DDBDRO CC(=O)N1CC[C@@H](C[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173220484 777052579 /nfs/dbraw/zinc/05/25/79/777052579.db2.gz CJDDYWVILHTTQJ-WFASDCNBSA-N 1 0 305.378 1.984 20 5 DDBDRO CN(CCNc1ccc([N+](=O)[O-])cc1)C(=O)CCC[NH+](C)C ZINC001101938798 777702267 /nfs/dbraw/zinc/70/22/67/777702267.db2.gz HYFHTECSKMYSLF-UHFFFAOYSA-N 1 0 308.382 1.807 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@]2(CCOC2=O)C1 ZINC001177001149 778383188 /nfs/dbraw/zinc/38/31/88/778383188.db2.gz CHFXVJQDZKZOMR-OAHLLOKOSA-N 1 0 306.318 1.742 20 5 DDBDRO O=C(Cn1cccn1)NCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001154599432 861260702 /nfs/dbraw/zinc/26/07/02/861260702.db2.gz BHFBOTNFYNLBDV-UHFFFAOYSA-N 1 0 323.378 1.149 20 5 DDBDRO C[C@@H]1CN(c2nc(Cl)nc3ccc([N+](=O)[O-])cc32)CC[NH2+]1 ZINC001156688910 863263609 /nfs/dbraw/zinc/26/36/09/863263609.db2.gz BCDHNPHGGLMEES-MRVPVSSYSA-N 1 0 307.741 1.990 20 5 DDBDRO COCCCC(=O)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001155044738 861671684 /nfs/dbraw/zinc/67/16/84/861671684.db2.gz IYXWFGUHVMALBK-UHFFFAOYSA-N 1 0 309.366 1.617 20 5 DDBDRO COC(=O)[C@H]([NH3+])C1CCN(c2ncc([N+](=O)[O-])c(C)c2C)CC1 ZINC001155159857 861788973 /nfs/dbraw/zinc/78/89/73/861788973.db2.gz NXUOIGPDIXESHI-CYBMUJFWSA-N 1 0 322.365 1.323 20 5 DDBDRO CC[C@]1(C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)CC[NH2+]C1 ZINC001327106736 861892241 /nfs/dbraw/zinc/89/22/41/861892241.db2.gz GDGBOLAUSDAEOU-HNNXBMFYSA-N 1 0 321.381 1.345 20 5 DDBDRO O=C1O[C@@H](CN2CCc3ccc([N+](=O)[O-])cc3C2)CN1C1CC1 ZINC001327224099 861976243 /nfs/dbraw/zinc/97/62/43/861976243.db2.gz PSLQSKDBEBGPJD-HNNXBMFYSA-N 1 0 317.345 1.936 20 5 DDBDRO [NH3+][C@H]1COC[C@H]1Nc1ccc2c(ccc(Cl)c2[N+](=O)[O-])n1 ZINC001155352712 861986550 /nfs/dbraw/zinc/98/65/50/861986550.db2.gz FWKZPQLCQSUIFM-GXSJLCMTSA-N 1 0 308.725 1.934 20 5 DDBDRO Nc1cc([N+](=O)[O-])cnc1NC[C@H]1CCC2(CC[NH2+]CC2)CO1 ZINC001155383503 862021107 /nfs/dbraw/zinc/02/11/07/862021107.db2.gz MQGRQNISPLCLFM-GFCCVEGCSA-N 1 0 321.381 1.533 20 5 DDBDRO O=[N+]([O-])c1cccc2nc(N[C@@H]3COCCC34C[NH2+]C4)ccc21 ZINC001155462370 862113959 /nfs/dbraw/zinc/11/39/59/862113959.db2.gz RFNZUNKCRCHTHN-CQSZACIVSA-N 1 0 314.345 1.933 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])c(NC[C@H]2OC[C@H]3C[NH2+]CC[C@H]32)n1 ZINC001155527809 862196488 /nfs/dbraw/zinc/19/64/88/862196488.db2.gz QDZDTXCNXNPYEU-JHJVBQTASA-N 1 0 306.366 1.643 20 5 DDBDRO O=[N+]([O-])c1cccc2ccc(NC[C@@]34C[NH2+][C@@H](CO3)C4)nc21 ZINC001155541822 862208353 /nfs/dbraw/zinc/20/83/53/862208353.db2.gz QYCUKKBIPXCILU-IAQYHMDHSA-N 1 0 300.318 1.686 20 5 DDBDRO C[C@@H]1[NH2+]C[C@H](C)N(C(=O)COc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC001122179334 858704752 /nfs/dbraw/zinc/70/47/52/858704752.db2.gz DAABOGCNVQUXJI-SRVKXCTJSA-N 1 0 307.350 1.571 20 5 DDBDRO C[C@@H]1[C@H](C)[NH2+]C[C@H](C)N1C(=O)COc1ccccc1[N+](=O)[O-] ZINC001122264871 858730153 /nfs/dbraw/zinc/73/01/53/858730153.db2.gz YEIVEBPUKOIWMF-SDDRHHMPSA-N 1 0 307.350 1.571 20 5 DDBDRO COC(=O)C1(Nc2nc(C)cc(OC)c2[N+](=O)[O-])CC[NH2+]CC1 ZINC001156528540 863122095 /nfs/dbraw/zinc/12/20/95/863122095.db2.gz CFPKXPFLZQTMHD-UHFFFAOYSA-N 1 0 324.337 1.014 20 5 DDBDRO C[C@@H]1CC[C@H](NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C[NH2+]1 ZINC001330006690 864014203 /nfs/dbraw/zinc/01/42/03/864014203.db2.gz BKNSELMWIUBGNU-RISCZKNCSA-N 1 0 318.377 1.803 20 5 DDBDRO O=C(NCCC[NH2+]CC/C=C/c1ccccc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157767502 864117687 /nfs/dbraw/zinc/11/76/87/864117687.db2.gz PCNYGMQTINUUFC-HWYYHXQYSA-N 1 0 317.389 1.851 20 5 DDBDRO O=C(NCCC[NH2+]CCCc1cccc(F)c1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157767745 864118886 /nfs/dbraw/zinc/11/88/86/864118886.db2.gz SKSVLCJMXAOGFY-HUUCEWRRSA-N 1 0 323.368 1.519 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N(C(C)C)[C@@H]2CC[NH2+]C2)n1 ZINC001158035050 864374513 /nfs/dbraw/zinc/37/45/13/864374513.db2.gz OCMPVZPCXITYDU-SNVBAGLBSA-N 1 0 308.338 1.353 20 5 DDBDRO C[NH+]1CCC(NC(=O)CN2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001330658366 864515550 /nfs/dbraw/zinc/51/55/50/864515550.db2.gz QHMKFQXNPSPKGJ-UHFFFAOYSA-N 1 0 318.377 1.121 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1Cn1cc(C[NH2+]CC2CC2)nn1 ZINC001330785285 864603589 /nfs/dbraw/zinc/60/35/89/864603589.db2.gz GVYDTYDWFKSCOA-UHFFFAOYSA-N 1 0 317.349 1.743 20 5 DDBDRO COC(=O)[C@@]12CC[NH2+][C@H]1CN(c1nccc(C)c1[N+](=O)[O-])CC2 ZINC001158640655 864779310 /nfs/dbraw/zinc/77/93/10/864779310.db2.gz YDCHBVREPZTAGK-XHDPSFHLSA-N 1 0 320.349 1.030 20 5 DDBDRO CSc1nc(Cl)nc(N2CC[NH2+]C3(CC3)C2)c1[N+](=O)[O-] ZINC001158936902 864985024 /nfs/dbraw/zinc/98/50/24/864985024.db2.gz VPTJLLZGQNLJBA-UHFFFAOYSA-N 1 0 315.786 1.702 20 5 DDBDRO C[C@H](Nc1ccc2c(cccc2[N+](=O)[O-])n1)[C@H]1C[NH2+]CCO1 ZINC001159500679 865359470 /nfs/dbraw/zinc/35/94/70/865359470.db2.gz XBXPAYNVFKJOAW-IINYFYTJSA-N 1 0 302.334 1.932 20 5 DDBDRO C[N@@H+]1CCC[C@@H]1CCNc1c(Cl)[n+]([O-])ccc1[N+](=O)[O-] ZINC001160965316 866226175 /nfs/dbraw/zinc/22/61/75/866226175.db2.gz WXGBQPFYNROWBX-SECBINFHSA-N 1 0 300.746 1.778 20 5 DDBDRO CC(C)[N@H+](C)C[C@H](O)CN1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001333586567 866860888 /nfs/dbraw/zinc/86/08/88/866860888.db2.gz JZVGQGLLYKGAGR-INIZCTEOSA-N 1 0 307.394 1.654 20 5 DDBDRO [NH3+]CCN(CC(F)(F)F)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC001333655232 866909165 /nfs/dbraw/zinc/90/91/65/866909165.db2.gz VIWCDFJPCZBOLM-UHFFFAOYSA-N 1 0 305.256 1.487 20 5 DDBDRO Cc1cncc([N+](=O)[O-])c1N1CCC(C[NH+]2CCOCC2)CC1 ZINC001320897703 867108583 /nfs/dbraw/zinc/10/85/83/867108583.db2.gz IOMLRWRRPQWDHX-UHFFFAOYSA-N 1 0 320.393 1.847 20 5 DDBDRO COCCC1([NH3+])CCN(c2cc(Cl)ncc2[N+](=O)[O-])CC1 ZINC001162041346 867212423 /nfs/dbraw/zinc/21/24/23/867212423.db2.gz GWSIXFUQSUPTBJ-UHFFFAOYSA-N 1 0 314.773 1.977 20 5 DDBDRO Cc1cc(OCC(=O)NCC[NH+]2CC=CC2)ccc1[N+](=O)[O-] ZINC001321112701 867329095 /nfs/dbraw/zinc/32/90/95/867329095.db2.gz YQYFEKFMELUJSF-UHFFFAOYSA-N 1 0 305.334 1.270 20 5 DDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC001324697972 867459989 /nfs/dbraw/zinc/45/99/89/867459989.db2.gz PNYFIBGYZCYDMM-WDEREUQCSA-N 1 0 304.350 1.318 20 5 DDBDRO C[C@H]1C[NH2+]CCC[C@H]1CNc1cc([N+](=O)[O-])c2nncn2c1 ZINC001162468298 867554425 /nfs/dbraw/zinc/55/44/25/867554425.db2.gz WOZKEQFBMLWHFE-QWRGUYRKSA-N 1 0 304.354 1.685 20 5 DDBDRO COc1cc([C@H](C)[NH2+]CCN2CCOC[C@@H]2C)cc([N+](=O)[O-])c1 ZINC001334729140 867797855 /nfs/dbraw/zinc/79/78/55/867797855.db2.gz FROQRFKLEKIVPY-STQMWFEESA-N 1 0 323.393 1.975 20 5 DDBDRO COC(=O)[C@@H](Nc1nc(Cl)ccc1[N+](=O)[O-])C(C)(C)[NH3+] ZINC001162947763 867936647 /nfs/dbraw/zinc/93/66/47/867936647.db2.gz XZLLZZGCDQEXFW-MRVPVSSYSA-N 1 0 302.718 1.334 20 5 DDBDRO Cc1c(F)cc([N+](=O)[O-])cc1NCc1nnc2n1CCC[NH2+]C2 ZINC001163027185 868016225 /nfs/dbraw/zinc/01/62/25/868016225.db2.gz JHNZBFGFNGMFJT-UHFFFAOYSA-N 1 0 320.328 1.739 20 5 DDBDRO COc1cc(C)c([N+](=O)[O-])cc1N[C@@H]1COCCC12C[NH2+]C2 ZINC001163073408 868057117 /nfs/dbraw/zinc/05/71/17/868057117.db2.gz OIJJESVQNCOACO-CQSZACIVSA-N 1 0 307.350 1.702 20 5 DDBDRO O=[N+]([O-])c1cc(Cl)ncc1NCC[C@H]1CCOC12C[NH2+]C2 ZINC001163087328 868075930 /nfs/dbraw/zinc/07/59/30/868075930.db2.gz JACUKZCHELQTPX-VIFPVBQESA-N 1 0 312.757 1.824 20 5 DDBDRO O=[N+]([O-])c1cc(F)ccc1N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC001335117117 868076695 /nfs/dbraw/zinc/07/66/95/868076695.db2.gz KNCAUYVTBUACJQ-CHWSQXEVSA-N 1 0 309.341 1.769 20 5 DDBDRO CNc1cc([N+](=O)[O-])cnc1NC[C@H]1OC[C@H]2C[NH2+]CC[C@H]21 ZINC001163164711 868177137 /nfs/dbraw/zinc/17/71/37/868177137.db2.gz YMKSXPBBHBAKCR-IRUJWGPZSA-N 1 0 307.354 1.068 20 5 DDBDRO O=[N+]([O-])c1cnc2cccc(NC[C@@H]3OC[C@H]4C[NH2+]CC[C@H]43)n21 ZINC001163178341 868193765 /nfs/dbraw/zinc/19/37/65/868193765.db2.gz XOIYMMGCHBFHEV-UTUOFQBUSA-N 1 0 317.349 1.279 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@H](O)c2ccncc2)c1 ZINC001335317963 868221686 /nfs/dbraw/zinc/22/16/86/868221686.db2.gz RNSUASNMEPEDKQ-LSDHHAIUSA-N 1 0 303.318 1.346 20 5 DDBDRO COc1cc(NC[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)cnc1[N+](=O)[O-] ZINC001163284967 868309737 /nfs/dbraw/zinc/30/97/37/868309737.db2.gz PVMPXGHOALPNIB-ABAIWWIYSA-N 1 0 322.365 1.569 20 5 DDBDRO CC(C)(C)[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001335459773 868314493 /nfs/dbraw/zinc/31/44/93/868314493.db2.gz WQSBFAWOBQDTSH-MGPQQGTHSA-N 1 0 310.398 1.957 20 5 DDBDRO COc1cccc(N[C@@H]2CCO[C@@]3(CC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC001163322063 868350152 /nfs/dbraw/zinc/35/01/52/868350152.db2.gz GKOYMLPRLQNSEM-ABAIWWIYSA-N 1 0 307.350 1.926 20 5 DDBDRO C[NH+](C)C1CN(C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)C1 ZINC001163934068 868803492 /nfs/dbraw/zinc/80/34/92/868803492.db2.gz YJUAZYAXYHCWRJ-UHFFFAOYSA-N 1 0 306.700 1.938 20 5 DDBDRO COC(=O)Cc1ccc(O[C@@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC001226213697 882282811 /nfs/dbraw/zinc/28/28/11/882282811.db2.gz FTWKUEIRTOLYTK-GFCCVEGCSA-N 1 0 308.334 1.783 20 5 DDBDRO CC[NH+]1CCC(N(C)c2ncc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC001165068206 869360848 /nfs/dbraw/zinc/36/08/48/869360848.db2.gz NOLWNTVTUGFRFR-UHFFFAOYSA-N 1 0 309.326 1.819 20 5 DDBDRO [NH3+][C@@H]1CN(C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)C[C@@H]1F ZINC001165118524 869385636 /nfs/dbraw/zinc/38/56/36/869385636.db2.gz ICMSWAIZZQDBBM-NTSWFWBYSA-N 1 0 310.663 1.674 20 5 DDBDRO Cc1nc(Cl)nc(N2C[C@@H]3C[C@]3(C[NH+](C)C)C2)c1[N+](=O)[O-] ZINC001165182658 869418119 /nfs/dbraw/zinc/41/81/19/869418119.db2.gz XJPQKJKHWHFUNT-ZANVPECISA-N 1 0 311.773 1.735 20 5 DDBDRO O=[N+]([O-])c1cc(C(F)(F)N2C[C@H]3C[NH2+][C@H]3C2)cnc1Cl ZINC001165195326 869420767 /nfs/dbraw/zinc/42/07/67/869420767.db2.gz YEISKBBJUMDCOL-SVRRBLITSA-N 1 0 304.684 1.596 20 5 DDBDRO [NH3+]CC1(F)CCN(c2cnc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC001165262852 869476289 /nfs/dbraw/zinc/47/62/89/869476289.db2.gz OQYRNCRPRKSKJD-UHFFFAOYSA-N 1 0 305.313 1.805 20 5 DDBDRO Cc1cc(N2C[C@@H]3[C@H]([NH3+])[C@@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001165385886 869559769 /nfs/dbraw/zinc/55/97/69/869559769.db2.gz VCFWNWCTSDFXHP-AGGWBTHJSA-N 1 0 311.345 1.754 20 5 DDBDRO CN(C)/C=C/c1cc(N2CCC[C@@H]3[NH2+]C[C@H]32)ncc1[N+](=O)[O-] ZINC001165396256 869566072 /nfs/dbraw/zinc/56/60/72/869566072.db2.gz ZKDHVQWAIVMKLF-LFHSMUGYSA-N 1 0 303.366 1.463 20 5 DDBDRO COc1cccc(N[C@@H](C)[C@@H]2C[N@H+](C)CCN2C)c1[N+](=O)[O-] ZINC001338084762 869791030 /nfs/dbraw/zinc/79/10/30/869791030.db2.gz SFRITYOSQOMIAC-AAEUAGOBSA-N 1 0 308.382 1.650 20 5 DDBDRO COCCN1CCC[C@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001338420811 869971874 /nfs/dbraw/zinc/97/18/74/869971874.db2.gz YTECFZKAXANHBP-GOEBONIOSA-N 1 0 323.393 1.329 20 5 DDBDRO C[C@H](CNC(=O)N[C@]1(C)CC[NH2+]C1)c1ccccc1[N+](=O)[O-] ZINC001338755178 870152065 /nfs/dbraw/zinc/15/20/65/870152065.db2.gz OSISCGBGWWHVAF-IAQYHMDHSA-N 1 0 306.366 1.750 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1CCCC[C@H]1[NH+](C)C ZINC001338826689 870189429 /nfs/dbraw/zinc/18/94/29/870189429.db2.gz ZZAIGIFUQBNWAN-CHWSQXEVSA-N 1 0 323.397 1.479 20 5 DDBDRO CCn1c(CCC[N+](=O)[O-])nnc1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC001340012699 870837534 /nfs/dbraw/zinc/83/75/34/870837534.db2.gz TVFQQSITVPWUBU-OLZOCXBDSA-N 1 0 324.429 1.426 20 5 DDBDRO CCC[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1cccnc1 ZINC001317540435 871027570 /nfs/dbraw/zinc/02/75/70/871027570.db2.gz KGVYRRXTGDWPLZ-ZIAGYGMSSA-N 1 0 306.366 1.075 20 5 DDBDRO CC(C)[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC001305225389 871268070 /nfs/dbraw/zinc/26/80/70/871268070.db2.gz OFESGJMIPQEYKB-YPMHNXCESA-N 1 0 321.381 1.653 20 5 DDBDRO COC(=O)Cc1ccc(N2C[C@H]3CC[N@H+](C)[C@H]3C2)c([N+](=O)[O-])c1 ZINC001307122390 871398822 /nfs/dbraw/zinc/39/88/22/871398822.db2.gz JILOIGGWCUXALI-DOMZBBRYSA-N 1 0 319.361 1.451 20 5 DDBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)[C@H]3C[C@@H]3F)c2)CC1 ZINC001340880125 871408318 /nfs/dbraw/zinc/40/83/18/871408318.db2.gz DHFLEJQMWDNEQQ-RYUDHWBXSA-N 1 0 322.340 1.643 20 5 DDBDRO CC(C)[N@@H+]1CCCC[C@H]1Cn1cc([N+](=O)[O-])c(=O)c([N+](=O)[O-])c1 ZINC001307312918 871419397 /nfs/dbraw/zinc/41/93/97/871419397.db2.gz WTOSOGOLIBDPCF-NSHDSACASA-N 1 0 324.337 1.928 20 5 DDBDRO Cc1cncc([N+](=O)[O-])c1N1CCC(OCC[NH+](C)C)CC1 ZINC001341767034 871813864 /nfs/dbraw/zinc/81/38/64/871813864.db2.gz GVORAMLOQXYZNF-UHFFFAOYSA-N 1 0 308.382 1.845 20 5 DDBDRO COc1cc(C(=O)N[C@@H]2C[NH2+]CC23CC3)cc([N+](=O)[O-])c1C ZINC001342201886 872065462 /nfs/dbraw/zinc/06/54/62/872065462.db2.gz RHSBYTDLNLRYQQ-CYBMUJFWSA-N 1 0 305.334 1.394 20 5 DDBDRO COCC[C@H]1C[NH2+]CCN1C(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC001342235882 872093834 /nfs/dbraw/zinc/09/38/34/872093834.db2.gz BZULWCGUKDKRBJ-LBPRGKRZSA-N 1 0 323.349 1.054 20 5 DDBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(OCC(N)=O)CC1 ZINC001319045631 872410794 /nfs/dbraw/zinc/41/07/94/872410794.db2.gz YZSHSDJTKAVXFC-LLVKDONJSA-N 1 0 307.350 1.622 20 5 DDBDRO CC[N@@H+]1CCCN(c2nnc([C@@H](C)[N+](=O)[O-])n2CC(C)C)CC1 ZINC001342909966 872433612 /nfs/dbraw/zinc/43/36/12/872433612.db2.gz RVOONFGEHGRVKL-CYBMUJFWSA-N 1 0 324.429 1.804 20 5 DDBDRO C[C@@H]1CN(C(=O)COc2cccc([N+](=O)[O-])c2)CC[C@@H]1C[NH3+] ZINC001345011696 873220158 /nfs/dbraw/zinc/22/01/58/873220158.db2.gz OCMNWNBGDNYXOG-VXGBXAGGSA-N 1 0 307.350 1.417 20 5 DDBDRO COc1ccnc(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC001346289598 873686526 /nfs/dbraw/zinc/68/65/26/873686526.db2.gz WCKLYJQDKITCHV-HNNXBMFYSA-N 1 0 303.318 1.822 20 5 DDBDRO CC[NH+](CC)CCO[C@H]1CCN(c2cc(N)c([N+](=O)[O-])cn2)C1 ZINC001348020306 874335696 /nfs/dbraw/zinc/33/56/96/874335696.db2.gz JELNMLCUTRXGNY-LBPRGKRZSA-N 1 0 323.397 1.509 20 5 DDBDRO Cn1cc([N+](=O)[O-])c(C(=O)N2C[C@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)n1 ZINC001349839439 875402867 /nfs/dbraw/zinc/40/28/67/875402867.db2.gz DMJMXOXAAIXJFT-IJLUTSLNSA-N 1 0 321.381 1.131 20 5 DDBDRO Cc1cncc([N+](=O)[O-])c1NC(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC001216480422 876955239 /nfs/dbraw/zinc/95/52/39/876955239.db2.gz OOXXHZJHZFUMOH-ZYHUDNBSSA-N 1 0 319.365 1.324 20 5 DDBDRO C[C@H](NC(=O)[C@@H]1[NH2+]CC12CCOCC2)c1cccc([N+](=O)[O-])c1 ZINC001353071014 877100015 /nfs/dbraw/zinc/10/00/15/877100015.db2.gz GANYBOUPMBUAOF-FZMZJTMJSA-N 1 0 319.361 1.541 20 5 DDBDRO O=C(CC[NH2+][C@@H]1COC[C@H]1C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC001353375814 877285787 /nfs/dbraw/zinc/28/57/87/877285787.db2.gz HUXOAUBULSHEOV-GXTWGEPZSA-N 1 0 319.361 1.938 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H](OC[C@H]1C[C@@H]3CC[NH2+]C[C@@H]3O1)C2 ZINC001217788169 877324344 /nfs/dbraw/zinc/32/43/44/877324344.db2.gz GZLJKVMEHCDJPM-SJWGOKEGSA-N 1 0 318.373 1.846 20 5 DDBDRO C[C@@H]1C[NH2+]C[C@H]1CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC001354697267 878160156 /nfs/dbraw/zinc/16/01/56/878160156.db2.gz UHRWEDVNEIVOCY-KOLCDFICSA-N 1 0 303.318 1.926 20 5 DDBDRO C[C@@H](CNC(=O)NCC[NH2+]C1CC1)c1ccccc1[N+](=O)[O-] ZINC001357434106 879970437 /nfs/dbraw/zinc/97/04/37/879970437.db2.gz GFLVDLAHQRQEKV-NSHDSACASA-N 1 0 306.366 1.750 20 5 DDBDRO COC(=O)c1c(CO[C@@H]2C[NH+]3CCC2CC3)cccc1[N+](=O)[O-] ZINC001223293705 880908168 /nfs/dbraw/zinc/90/81/68/880908168.db2.gz CGTYLASEBJETDQ-CQSZACIVSA-N 1 0 320.345 1.992 20 5 DDBDRO COc1c(F)ccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)c1F ZINC001227889101 883216137 /nfs/dbraw/zinc/21/61/37/883216137.db2.gz BAMHWRYRMOBVHL-SECBINFHSA-N 1 0 304.313 1.336 20 5 DDBDRO CC(=O)c1ccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)cc1Cl ZINC001227903205 883222099 /nfs/dbraw/zinc/22/20/99/883222099.db2.gz BYSXYXVECAPSRC-LLVKDONJSA-N 1 0 314.789 1.905 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc2n[nH]cc2c1Cl ZINC001229176925 883859489 /nfs/dbraw/zinc/85/94/89/883859489.db2.gz JGHBUFVNOACIGN-SECBINFHSA-N 1 0 312.777 1.579 20 5 DDBDRO CCc1cccc(C(=O)OC)c1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001230965155 885093340 /nfs/dbraw/zinc/09/33/40/885093340.db2.gz HFBGCSFTHTTXGR-CYBMUJFWSA-N 1 0 324.397 1.398 20 5 DDBDRO COc1cc(OC(=O)C[C@@H](O)C[N+](C)(C)C)cnc1Cl ZINC001234124653 887669002 /nfs/dbraw/zinc/66/90/02/887669002.db2.gz PCEKLSPCEWXHBB-SECBINFHSA-N 1 0 303.766 1.106 20 5 DDBDRO COCCCC(=O)NCCC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001234397659 887935516 /nfs/dbraw/zinc/93/55/16/887935516.db2.gz HJJRWPFSSCTXLU-UHFFFAOYSA-N 1 0 323.393 1.960 20 5 DDBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@H]2C[NH2+]C[C@@H](F)C2)n1 ZINC001247781535 893370112 /nfs/dbraw/zinc/37/01/12/893370112.db2.gz JSQNLGYTRVLYKI-RQJHMYQMSA-N 1 0 311.248 1.594 20 5 DDBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc(CC[C@@H]2CCC[NH2+]2)n1 ZINC001247807809 893380674 /nfs/dbraw/zinc/38/06/74/893380674.db2.gz BXJDZGLXTHTYLU-VIFPVBQESA-N 1 0 307.285 1.864 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC([N@H+]3C[C@H](F)C[C@H]3CO)CC2)cc1 ZINC001254476643 896457136 /nfs/dbraw/zinc/45/71/36/896457136.db2.gz VBRIJEVUWVHYRR-WBMJQRKESA-N 1 0 323.368 1.968 20 5 DDBDRO CCOC(=O)CC1([NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])COC1 ZINC001254537434 896491243 /nfs/dbraw/zinc/49/12/43/896491243.db2.gz DXTRCIOPAZZYAE-GFCCVEGCSA-N 1 0 322.361 1.838 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CN(c2ccncn2)C1 ZINC001254545401 896496871 /nfs/dbraw/zinc/49/68/71/896496871.db2.gz NLGYLOQGBAKZOR-GFCCVEGCSA-N 1 0 313.361 1.794 20 5 DDBDRO CC(C)C[NH2+]CC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC001261502233 899609293 /nfs/dbraw/zinc/60/92/93/899609293.db2.gz DHAWNFRGTYSWJZ-UHFFFAOYSA-N 1 0 320.393 1.489 20 5 DDBDRO COc1ccc(CC(=O)N2[C@H](C)C[NH2+][C@@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC001263201402 900530592 /nfs/dbraw/zinc/53/05/92/900530592.db2.gz DTPGHCUYBQIKSR-WOPDTQHZSA-N 1 0 321.377 1.743 20 5 DDBDRO Cc1cc(NC(=O)C[C@@]2(O)CCC[N@@H+](C)C2)cc([N+](=O)[O-])c1 ZINC001264010894 900870806 /nfs/dbraw/zinc/87/08/06/900870806.db2.gz OEDKJKJTHDFMCV-HNNXBMFYSA-N 1 0 307.350 1.689 20 5 DDBDRO CC(=O)N1CCC(O)(C[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001281588078 905068751 /nfs/dbraw/zinc/06/87/51/905068751.db2.gz ZZPUIPVCJABDNM-UHFFFAOYSA-N 1 0 307.350 1.058 20 5 DDBDRO CO[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000451634023 231145570 /nfs/dbraw/zinc/14/55/70/231145570.db2.gz TXHZIBORUCWLHD-RBSFLKMASA-N 1 0 319.361 1.857 20 5 DDBDRO CC[C@@H](CO)[N@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000295716171 529503287 /nfs/dbraw/zinc/50/32/87/529503287.db2.gz NPCIKBZWBGXZGR-LBPRGKRZSA-N 1 0 307.350 1.187 20 5 DDBDRO C[N@@H+]1CC[C@H](CNC(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000491745143 529803099 /nfs/dbraw/zinc/80/30/99/529803099.db2.gz NTIKCVAUNSIPHG-USEMIUTHSA-N 1 0 307.325 1.815 20 5 DDBDRO C[N@H+](CCCCNC(=O)c1cccc([N+](=O)[O-])c1N)C1CC1 ZINC000457173046 529883971 /nfs/dbraw/zinc/88/39/71/529883971.db2.gz VJJYXCHOQAFPLQ-UHFFFAOYSA-N 1 0 306.366 1.781 20 5 DDBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@H](CO)CC(C)(C)C ZINC000451787209 529939469 /nfs/dbraw/zinc/93/94/69/529939469.db2.gz JIRMTCMDTUNMDX-ZDUSSCGKSA-N 1 0 311.382 1.485 20 5 DDBDRO CCOC(=O)c1cc(N2CC[N@H+](C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000615494256 362307092 /nfs/dbraw/zinc/30/70/92/362307092.db2.gz JNFKRGRGCGEVHU-LLVKDONJSA-N 1 0 307.350 1.912 20 5 DDBDRO CN(CC(=O)N(C)C1(C[NH3+])CCC1)c1ccccc1[N+](=O)[O-] ZINC000449681951 282339054 /nfs/dbraw/zinc/33/90/54/282339054.db2.gz FKZXDCTUFKRROB-UHFFFAOYSA-N 1 0 306.366 1.371 20 5 DDBDRO C[NH2+]C[C@@H](C)CNC(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000417178664 529983429 /nfs/dbraw/zinc/98/34/29/529983429.db2.gz LGVMNEITBWIOHK-SNVBAGLBSA-N 1 0 310.354 1.258 20 5 DDBDRO C[NH2+]C[C@H]1CCCN1C(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000415495009 530002945 /nfs/dbraw/zinc/00/29/45/530002945.db2.gz FOOSUOLBAGVACR-LLVKDONJSA-N 1 0 308.338 1.819 20 5 DDBDRO C[NH+](C)CC(C)(C)NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000457203894 232013407 /nfs/dbraw/zinc/01/34/07/232013407.db2.gz JDWIONWILHNSHZ-UHFFFAOYSA-N 1 0 305.338 1.541 20 5 DDBDRO C[N@@H+]1CCC[C@@H](CCNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000458175577 530055073 /nfs/dbraw/zinc/05/50/73/530055073.db2.gz CSYGQFXJFPLEGA-JTQLQIEISA-N 1 0 308.338 1.157 20 5 DDBDRO C[N@@H+]1CCC[C@H]1CNC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000491889106 530063179 /nfs/dbraw/zinc/06/31/79/530063179.db2.gz UURSUSVHMRGDDF-VGVVRCBHSA-N 1 0 307.325 1.958 20 5 DDBDRO COc1cc(C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)cc([N+](=O)[O-])c1C ZINC000457382360 232045801 /nfs/dbraw/zinc/04/58/01/232045801.db2.gz RMJMZCWTVSJXQY-YPMHNXCESA-N 1 0 319.361 1.593 20 5 DDBDRO C[C@H]1C[C@@H](NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC[N@@H+]1C ZINC000330889570 232140005 /nfs/dbraw/zinc/14/00/05/232140005.db2.gz BMNRAYCQQARCQI-QWRGUYRKSA-N 1 0 309.370 1.125 20 5 DDBDRO C[C@H]1C[C@H](NC(=O)CNc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000330915846 232160642 /nfs/dbraw/zinc/16/06/42/232160642.db2.gz URUDUWLRVLFSNW-NWDGAFQWSA-N 1 0 306.366 1.606 20 5 DDBDRO CCN1CCN(c2ncc(C(=O)OC)cc2[N+](=O)[O-])C[C@H]1C ZINC000616376530 362666501 /nfs/dbraw/zinc/66/65/01/362666501.db2.gz UAZHNTZRGHPQCK-SNVBAGLBSA-N 1 0 308.338 1.307 20 5 DDBDRO CCn1ccc(C[N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)c1 ZINC000616786119 362817956 /nfs/dbraw/zinc/81/79/56/362817956.db2.gz KDEMHWQVJNOZCL-UHFFFAOYSA-N 1 0 304.350 1.710 20 5 DDBDRO Cc1cc(C(=O)NCC2(C)CC[NH+](C)CC2)c(N)c([N+](=O)[O-])c1 ZINC000272583016 210002376 /nfs/dbraw/zinc/00/23/76/210002376.db2.gz YLRIPCRVNVVKLM-UHFFFAOYSA-N 1 0 320.393 1.947 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@H](O)C(C)(C)C1 ZINC000279892495 215212204 /nfs/dbraw/zinc/21/22/04/215212204.db2.gz UTQUEMFBGFGHDF-AWEZNQCLSA-N 1 0 321.377 1.935 20 5 DDBDRO CC(C)(C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000279911570 215229586 /nfs/dbraw/zinc/22/95/86/215229586.db2.gz DMBBIEMFMBKNQF-TXEJJXNPSA-N 1 0 303.362 1.550 20 5 DDBDRO C[C@@H]1NC(=O)N(CC[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])C1=O ZINC000459493767 233249680 /nfs/dbraw/zinc/24/96/80/233249680.db2.gz PXCXSNOIECOMON-JTQLQIEISA-N 1 0 320.349 1.360 20 5 DDBDRO CCCC[C@@H](C[NH3+])NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000150302294 186056634 /nfs/dbraw/zinc/05/66/34/186056634.db2.gz GXOSYQFYLDQHKO-JTQLQIEISA-N 1 0 301.368 1.391 20 5 DDBDRO CN(CC1([NH+](C)C)CCC1)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000188047590 186249595 /nfs/dbraw/zinc/24/95/95/186249595.db2.gz CYUBOIBCJCUZHB-UHFFFAOYSA-N 1 0 321.377 1.916 20 5 DDBDRO COc1ccc(CC(=O)N2CC[C@H]([C@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000564838122 304017882 /nfs/dbraw/zinc/01/78/82/304017882.db2.gz GLINOOQYLYAOKA-JQWIXIFHSA-N 1 0 307.350 1.342 20 5 DDBDRO Cc1cc(S(=O)(=O)NC2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000172015650 198027212 /nfs/dbraw/zinc/02/72/12/198027212.db2.gz FFMRNQOWXXZXKZ-UHFFFAOYSA-N 1 0 313.379 1.276 20 5 DDBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(NC)c([N+](=O)[O-])c1 ZINC000053678007 352663593 /nfs/dbraw/zinc/66/35/93/352663593.db2.gz ASQJICWDSOAIJD-LBPRGKRZSA-N 1 0 306.366 1.851 20 5 DDBDRO C[N@H+](CCNC(=O)CCOc1ccccc1[N+](=O)[O-])C1CC1 ZINC000058857002 352854523 /nfs/dbraw/zinc/85/45/23/352854523.db2.gz FIALAGGNWKPIFE-UHFFFAOYSA-N 1 0 307.350 1.574 20 5 DDBDRO CC(C)(C)[NH2+]CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000057839524 352830862 /nfs/dbraw/zinc/83/08/62/352830862.db2.gz HMGXAOKTMDUKJR-UHFFFAOYSA-N 1 0 316.383 1.042 20 5 DDBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000066137799 352979093 /nfs/dbraw/zinc/97/90/93/352979093.db2.gz BURPGBDVGAZKQL-GFCCVEGCSA-N 1 0 309.366 1.820 20 5 DDBDRO C[C@H]([NH2+]CCOCCS(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000173444183 198215625 /nfs/dbraw/zinc/21/56/25/198215625.db2.gz VABBPLKZTDUUJO-NSHDSACASA-N 1 0 316.379 1.307 20 5 DDBDRO CC[N@H+](CCNC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1)C1CC1 ZINC000069442612 353161716 /nfs/dbraw/zinc/16/17/16/353161716.db2.gz GFGNPXBAAGMHNI-UHFFFAOYSA-N 1 0 321.377 1.746 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@@H](C)C[NH+](C)C)c1 ZINC000344922999 282871771 /nfs/dbraw/zinc/87/17/71/282871771.db2.gz SVAOQCRMBVKTFZ-JTQLQIEISA-N 1 0 315.395 1.440 20 5 DDBDRO O=C(/C=C\c1cccc([N+](=O)[O-])c1)NCC[N@H+]1CC=CCC1 ZINC000491989715 234353394 /nfs/dbraw/zinc/35/33/94/234353394.db2.gz HTOPRPAXZVCTES-FPLPWBNLSA-N 1 0 301.346 1.986 20 5 DDBDRO O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000174321439 198319185 /nfs/dbraw/zinc/31/91/85/198319185.db2.gz OFXBXVLVGXQYTJ-LLVKDONJSA-N 1 0 320.349 1.253 20 5 DDBDRO C[NH+](C)[C@@H](CNc1ncc([N+](=O)[O-])c(N)n1)Cc1ccccc1 ZINC000076460892 353421599 /nfs/dbraw/zinc/42/15/99/353421599.db2.gz NULPPDFHKTYSRL-GFCCVEGCSA-N 1 0 316.365 1.552 20 5 DDBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000077555743 353475529 /nfs/dbraw/zinc/47/55/29/353475529.db2.gz MPUMEBHXDNTISZ-CYBMUJFWSA-N 1 0 321.377 1.964 20 5 DDBDRO CN(C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)[C@@H]1CCC[N@H+](C)C1 ZINC000182168416 199397194 /nfs/dbraw/zinc/39/71/94/199397194.db2.gz YXIUUOMAPFVKPA-LLVKDONJSA-N 1 0 321.333 1.490 20 5 DDBDRO CN(CC(=O)NCC[N@H+](C)C1CC1)c1ccccc1[N+](=O)[O-] ZINC000079738804 353574912 /nfs/dbraw/zinc/57/49/12/353574912.db2.gz PVCGFQLQYRODRN-UHFFFAOYSA-N 1 0 306.366 1.241 20 5 DDBDRO COC(=O)CC[N@@H+]1CCN(c2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000089265531 353763834 /nfs/dbraw/zinc/76/38/34/353763834.db2.gz JCWQSDFUPDQIFZ-LBPRGKRZSA-N 1 0 307.350 1.668 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H](C)[C@H](O)C1 ZINC000093344416 353897960 /nfs/dbraw/zinc/89/79/60/353897960.db2.gz LIASSDBOXRMLCT-XHDPSFHLSA-N 1 0 321.377 1.935 20 5 DDBDRO CCCc1n[nH]c(C(=O)NC[C@H]2CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000109689363 353957348 /nfs/dbraw/zinc/95/73/48/353957348.db2.gz KYBLBXUEWPENRT-SNVBAGLBSA-N 1 0 309.370 1.342 20 5 DDBDRO C[C@H](CC[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000320499819 354527507 /nfs/dbraw/zinc/52/75/07/354527507.db2.gz XVKQCOXWCMAKHV-CJNGLKHVSA-N 1 0 318.377 1.936 20 5 DDBDRO CCc1ccc(S(=O)(=O)NC[C@@H](C)C[NH2+]C)cc1[N+](=O)[O-] ZINC000584719865 354752389 /nfs/dbraw/zinc/75/23/89/354752389.db2.gz PUYQKPXBFDFEPX-JTQLQIEISA-N 1 0 315.395 1.291 20 5 DDBDRO COc1cc(C(=O)N[C@H](C)C[NH+](C)C)c([N+](=O)[O-])cc1OC ZINC000346271924 283044579 /nfs/dbraw/zinc/04/45/79/283044579.db2.gz RGZHUBRSKVGPBA-SECBINFHSA-N 1 0 311.338 1.292 20 5 DDBDRO CN(C(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-])[C@H](C[NH3+])C1CC1 ZINC000493870808 234957613 /nfs/dbraw/zinc/95/76/13/234957613.db2.gz YXCXMKQTCNPSQJ-BRLPQQTGSA-N 1 0 307.325 1.943 20 5 DDBDRO Nc1cc(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc(CO)c1[N+](=O)[O-] ZINC000587309777 354881858 /nfs/dbraw/zinc/88/18/58/354881858.db2.gz QUGNMBCJONQTNA-AAEUAGOBSA-N 1 0 306.366 1.708 20 5 DDBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]CC1=CCCOC1)OCCO2 ZINC000588928780 354949571 /nfs/dbraw/zinc/94/95/71/354949571.db2.gz VHXXLQZUGUQCCY-UHFFFAOYSA-N 1 0 306.318 1.802 20 5 DDBDRO C[NH+](C)C[C@@H](CO)Nc1ccc(Br)cc1[N+](=O)[O-] ZINC000589101719 354959514 /nfs/dbraw/zinc/95/95/14/354959514.db2.gz IZZSYYVXJVNTRQ-VIFPVBQESA-N 1 0 318.171 1.692 20 5 DDBDRO CN(CC(=O)N1CCC2(C[NH+](C)C2)C1)c1ccccc1[N+](=O)[O-] ZINC000590539446 355109566 /nfs/dbraw/zinc/10/95/66/355109566.db2.gz UXQXKEFVXTZBSZ-UHFFFAOYSA-N 1 0 318.377 1.195 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21 ZINC000590445088 355098427 /nfs/dbraw/zinc/09/84/27/355098427.db2.gz MZZOLIKOZFCJBD-YPMHNXCESA-N 1 0 319.361 1.770 20 5 DDBDRO CC[C@@H]1[C@H](CO)CC[N@@H+]1Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000590655893 355138421 /nfs/dbraw/zinc/13/84/21/355138421.db2.gz CRLUBNDLXSHCSK-GXTWGEPZSA-N 1 0 322.361 1.974 20 5 DDBDRO Cn1nccc1[C@@H](CO)[NH2+]CCCOc1ccc([N+](=O)[O-])cc1 ZINC000590971505 355227159 /nfs/dbraw/zinc/22/71/59/355227159.db2.gz HGLSMVWREVXVHP-CQSZACIVSA-N 1 0 320.349 1.420 20 5 DDBDRO CC[C@@H]1CN(C(=O)NCc2cccc([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000591348362 355294538 /nfs/dbraw/zinc/29/45/38/355294538.db2.gz XEVZUZHPGGONPB-OCCSQVGLSA-N 1 0 306.366 1.864 20 5 DDBDRO [NH3+]C1CCC(NC(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000591351745 355296483 /nfs/dbraw/zinc/29/64/83/355296483.db2.gz QZWDGXAFKXWWRS-UHFFFAOYSA-N 1 0 322.365 1.543 20 5 DDBDRO COC(=O)c1cc(N2CC[C@@H]3CC[NH2+][C@H]3C2)cc(C)c1[N+](=O)[O-] ZINC000591438179 355311104 /nfs/dbraw/zinc/31/11/04/355311104.db2.gz MONQPICCPFSTGW-FZMZJTMJSA-N 1 0 319.361 1.878 20 5 DDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000591444788 355312936 /nfs/dbraw/zinc/31/29/36/355312936.db2.gz WNNUSLWNTVDOJI-QWHCGFSZSA-N 1 0 307.398 1.946 20 5 DDBDRO Cc1cccc([C@@H](C)C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000591742654 355375442 /nfs/dbraw/zinc/37/54/42/355375442.db2.gz NZMNJVXQNOOLIP-XJKSGUPXSA-N 1 0 318.377 1.854 20 5 DDBDRO COC(=O)c1cc(NC(=O)[C@H]2[NH2+]CC2(C)C)cc([N+](=O)[O-])c1 ZINC000591671862 355358337 /nfs/dbraw/zinc/35/83/37/355358337.db2.gz MUEKLOBMBDLRQS-LLVKDONJSA-N 1 0 307.306 1.318 20 5 DDBDRO O=C(CCOc1ccccc1[N+](=O)[O-])NC[C@H]1CCCC[NH2+]1 ZINC000591677319 355360234 /nfs/dbraw/zinc/36/02/34/355360234.db2.gz JHHNMUHEBZRFDO-GFCCVEGCSA-N 1 0 307.350 1.622 20 5 DDBDRO COc1ccc(CC(=O)N2CCCC[C@H]2CC[NH3+])cc1[N+](=O)[O-] ZINC000591684146 355361817 /nfs/dbraw/zinc/36/18/17/355361817.db2.gz MQCNRGIQOVBFKP-ZDUSSCGKSA-N 1 0 321.377 1.876 20 5 DDBDRO COc1cc(C(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)cc([N+](=O)[O-])c1C ZINC000592310152 355557210 /nfs/dbraw/zinc/55/72/10/355557210.db2.gz WHUQIZKZFHGGEZ-QMTHXVAHSA-N 1 0 323.349 1.100 20 5 DDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000592538661 355620979 /nfs/dbraw/zinc/62/09/79/355620979.db2.gz ZSXQDSISWMISTB-YPMHNXCESA-N 1 0 318.377 1.781 20 5 DDBDRO C[N@@H+]1CCC[C@@H]1CN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000592996532 355765582 /nfs/dbraw/zinc/76/55/82/355765582.db2.gz GFXINAGYJJZBAO-CQSZACIVSA-N 1 0 305.382 1.206 20 5 DDBDRO CN(CC[N@H+](C)C1CC1)C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593613126 355942915 /nfs/dbraw/zinc/94/29/15/355942915.db2.gz IBNQYKPMVPYTHP-UHFFFAOYSA-N 1 0 309.341 1.829 20 5 DDBDRO NC(=O)[C@H]1C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000593669688 355961206 /nfs/dbraw/zinc/96/12/06/355961206.db2.gz AXZCSYJKYKXJKM-OTSSQURYSA-N 1 0 315.276 1.550 20 5 DDBDRO Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)N(C)CC[NH3+])c1 ZINC000593908163 356053920 /nfs/dbraw/zinc/05/39/20/356053920.db2.gz BWOQPSDHQZBFCH-UHFFFAOYSA-N 1 0 317.349 1.179 20 5 DDBDRO C[C@@H]1CCCN(C(=O)COc2ccccc2[N+](=O)[O-])[C@H]1CC[NH3+] ZINC000593914182 356057362 /nfs/dbraw/zinc/05/73/62/356057362.db2.gz ANBTZZROVDMOEY-OLZOCXBDSA-N 1 0 321.377 1.950 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[N@H+](C)C(C)(C)C2)c1 ZINC000593985858 356079721 /nfs/dbraw/zinc/07/97/21/356079721.db2.gz MXZZZTNNRDHCCN-UHFFFAOYSA-N 1 0 321.377 1.907 20 5 DDBDRO C[C@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])[C@@H]1CN(C)CCO1 ZINC000594503446 356238847 /nfs/dbraw/zinc/23/88/47/356238847.db2.gz WPPDNACTMDYSLI-PEYYIBSZSA-N 1 0 305.378 1.891 20 5 DDBDRO O=C1CC[C@@H](C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)N1 ZINC000595090957 356381459 /nfs/dbraw/zinc/38/14/59/356381459.db2.gz QBAXHWIBTCWXHW-SDDRHHMPSA-N 1 0 307.354 1.143 20 5 DDBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000601330390 358501655 /nfs/dbraw/zinc/50/16/55/358501655.db2.gz SPFMKDVQOBXOOZ-WCFLWFBJSA-N 1 0 304.350 1.358 20 5 DDBDRO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000595224423 356411508 /nfs/dbraw/zinc/41/15/08/356411508.db2.gz GFXODUBAJSJORQ-SMDDNHRTSA-N 1 0 306.366 1.917 20 5 DDBDRO CC(C)(C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC000595261127 356424827 /nfs/dbraw/zinc/42/48/27/356424827.db2.gz RYFQOTXSBLRBLI-CHWSQXEVSA-N 1 0 309.341 1.770 20 5 DDBDRO CC1(C)CN(Cc2ccc(F)cc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000595467164 356503837 /nfs/dbraw/zinc/50/38/37/356503837.db2.gz IUTMFYUGZVQHRH-UHFFFAOYSA-N 1 0 311.357 1.622 20 5 DDBDRO CN(CC1C[NH+](C)C1)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000595522145 356531909 /nfs/dbraw/zinc/53/19/09/356531909.db2.gz IUYLZIMTOPVRHG-UHFFFAOYSA-N 1 0 306.366 1.340 20 5 DDBDRO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3onc(C)c3[N+](=O)[O-])[C@H]2C1 ZINC000595489275 356514592 /nfs/dbraw/zinc/51/45/92/356514592.db2.gz LQCWKDHTAMQVLL-RWMBFGLXSA-N 1 0 322.365 1.628 20 5 DDBDRO CC(C)[C@H]([NH3+])CCN(C)C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000236824862 202028827 /nfs/dbraw/zinc/02/88/27/202028827.db2.gz ZMVLGFCMVMPKFS-CYBMUJFWSA-N 1 0 322.409 1.863 20 5 DDBDRO Cc1cc(S(=O)(=O)NC2CC[NH2+]CC2)c(C)cc1[N+](=O)[O-] ZINC000565245198 304057738 /nfs/dbraw/zinc/05/77/38/304057738.db2.gz JWVCGURTBKIXKM-UHFFFAOYSA-N 1 0 313.379 1.242 20 5 DDBDRO C[NH2+][C@H]1CCCN(S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])C1 ZINC000601342785 358507598 /nfs/dbraw/zinc/50/75/98/358507598.db2.gz FEVNKKDNSWWPGN-VIFPVBQESA-N 1 0 319.408 1.337 20 5 DDBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@H]3C[C@@H](O)C34CCC4)nc2c1 ZINC000595785528 356651248 /nfs/dbraw/zinc/65/12/48/356651248.db2.gz XGWLBFASWBKIKX-QWHCGFSZSA-N 1 0 302.334 1.864 20 5 DDBDRO C[C@H]([NH2+][C@H]1C[C@H](O)C12CCC2)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000595783623 356650343 /nfs/dbraw/zinc/65/03/43/356650343.db2.gz SIQRHYQFYJEKIE-BPNCWPANSA-N 1 0 319.361 1.815 20 5 DDBDRO COc1ccc(OCC[N@@H+]2CCC3(COC3)C2)c([N+](=O)[O-])c1 ZINC000595836089 356671321 /nfs/dbraw/zinc/67/13/21/356671321.db2.gz ZJTPASYUOJTHGF-UHFFFAOYSA-N 1 0 308.334 1.705 20 5 DDBDRO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CC[C@@H]4COC[C@@H]4C3)nc2c1 ZINC000595827691 356666653 /nfs/dbraw/zinc/66/66/53/356666653.db2.gz DADYNDDEXCZDIT-MNOVXSKESA-N 1 0 302.334 1.939 20 5 DDBDRO CCn1nccc1C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000596070532 356760988 /nfs/dbraw/zinc/76/09/88/356760988.db2.gz QXKQJYPMTDFBKB-UHFFFAOYSA-N 1 0 317.349 1.930 20 5 DDBDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000596305881 356852006 /nfs/dbraw/zinc/85/20/06/356852006.db2.gz BXWYJXHZABGSRC-SECBINFHSA-N 1 0 307.354 1.373 20 5 DDBDRO COc1ccc(-c2ccc(C[NH2+]C[C@H](O)CO)o2)c([N+](=O)[O-])c1 ZINC000347527390 283225485 /nfs/dbraw/zinc/22/54/85/283225485.db2.gz RJQVDMGCRQUUFQ-JTQLQIEISA-N 1 0 322.317 1.306 20 5 DDBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000597699618 357291021 /nfs/dbraw/zinc/29/10/21/357291021.db2.gz KSHCYEWSKXOUGT-ZWNOBZJWSA-N 1 0 309.341 1.827 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000597716749 357299768 /nfs/dbraw/zinc/29/97/68/357299768.db2.gz UBISLZBRIGFCEI-HNNXBMFYSA-N 1 0 321.381 1.044 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000597859330 357361617 /nfs/dbraw/zinc/36/16/17/357361617.db2.gz UOYDIHCPVZBIJL-LLVKDONJSA-N 1 0 309.370 1.089 20 5 DDBDRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000597862297 357363237 /nfs/dbraw/zinc/36/32/37/357363237.db2.gz ZOALUTIAGDDXKF-SNVBAGLBSA-N 1 0 322.365 1.546 20 5 DDBDRO Cc1nn(C)c(C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000597922501 357382432 /nfs/dbraw/zinc/38/24/32/357382432.db2.gz DXKBIFOBTVBAOG-SNVBAGLBSA-N 1 0 309.370 1.239 20 5 DDBDRO CN(CC1C[NH+](C)C1)C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000598162477 357478878 /nfs/dbraw/zinc/47/88/78/357478878.db2.gz IONJXFBSBRLNIT-UHFFFAOYSA-N 1 0 306.366 1.051 20 5 DDBDRO C[C@@H](CO)[C@H](C)[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000358800871 299260535 /nfs/dbraw/zinc/26/05/35/299260535.db2.gz BGUIORXPJAWHTF-UWVGGRQHSA-N 1 0 306.322 1.751 20 5 DDBDRO COC(=O)c1ccnc(N(C)CC[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000598630405 357661981 /nfs/dbraw/zinc/66/19/81/357661981.db2.gz KKXIWQUOHNZIOD-UHFFFAOYSA-N 1 0 322.365 1.699 20 5 DDBDRO O=C(NC[C@H]1CCC[N@H+](CC2CC2)C1)c1cc([N+](=O)[O-])n[nH]1 ZINC000598559701 357631985 /nfs/dbraw/zinc/63/19/85/357631985.db2.gz YOEBPJLMWXUPBA-LLVKDONJSA-N 1 0 307.354 1.170 20 5 DDBDRO [NH3+][C@]12CCC[C@H]1CN(S(=O)(=O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000598717976 357702244 /nfs/dbraw/zinc/70/22/44/357702244.db2.gz APNQDUVEUAOTFN-GWCFXTLKSA-N 1 0 311.363 1.097 20 5 DDBDRO CC(C)c1ncc2c(n1)CC[N@@H+](CCn1cc([N+](=O)[O-])cn1)C2 ZINC000598937868 357764661 /nfs/dbraw/zinc/76/46/61/357764661.db2.gz SWQPVMNUGKOKPI-UHFFFAOYSA-N 1 0 316.365 1.763 20 5 DDBDRO CN1CC[N@H+](C)C[C@H]1CNc1ccc2cnccc2c1[N+](=O)[O-] ZINC000599042201 357800870 /nfs/dbraw/zinc/80/08/70/357800870.db2.gz FNRXPZJTTQZTDX-CYBMUJFWSA-N 1 0 315.377 1.801 20 5 DDBDRO COC(=O)c1cc(NCC[N@@H+]2CC[C@H](O)C2)cc(C)c1[N+](=O)[O-] ZINC000599200110 357847916 /nfs/dbraw/zinc/84/79/16/357847916.db2.gz WXFUCCUVFZSSPY-LBPRGKRZSA-N 1 0 323.349 1.168 20 5 DDBDRO COC(=O)[C@@]1(OC)CC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000599567328 357976806 /nfs/dbraw/zinc/97/68/06/357976806.db2.gz NTFUNVIYEXXJJH-OAHLLOKOSA-N 1 0 308.334 1.667 20 5 DDBDRO C[NH2+]CCOCCN(C)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000599906304 358077823 /nfs/dbraw/zinc/07/78/23/358077823.db2.gz ADKGEOBXEQGCFC-LBPRGKRZSA-N 1 0 324.381 1.533 20 5 DDBDRO Cc1c(CNC(=O)NC2(C[NH3+])CCOCC2)cccc1[N+](=O)[O-] ZINC000599917837 358080246 /nfs/dbraw/zinc/08/02/46/358080246.db2.gz KHZJGZZGUCNVHO-UHFFFAOYSA-N 1 0 322.365 1.210 20 5 DDBDRO C[C@@H]1CC[C@@H](NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])C[NH2+]1 ZINC000599932587 358084394 /nfs/dbraw/zinc/08/43/94/358084394.db2.gz BOKTVVIDDGJDLT-TZMCWYRMSA-N 1 0 320.393 1.919 20 5 DDBDRO C[C@@H]([NH2+]CC(=O)NCc1cccnc1)c1cccc([N+](=O)[O-])c1 ZINC000180405614 199154682 /nfs/dbraw/zinc/15/46/82/199154682.db2.gz OAPDJQJEYCLORY-GFCCVEGCSA-N 1 0 314.345 1.957 20 5 DDBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@H]3COCCN3)o2)cc1 ZINC000600679078 358281117 /nfs/dbraw/zinc/28/11/17/358281117.db2.gz ZATHKFXMNFPVTQ-ZDUSSCGKSA-N 1 0 317.345 1.933 20 5 DDBDRO C[C@H]1CC[C@H](NCc2cc3c(cc2[N+](=O)[O-])OCCO3)C[NH2+]1 ZINC000600679969 358281296 /nfs/dbraw/zinc/28/12/96/358281296.db2.gz QCJQLFBYIGKJHY-JQWIXIFHSA-N 1 0 307.350 1.596 20 5 DDBDRO C[NH2+]C(C)(C)c1cn(Cc2cc([N+](=O)[O-])ccc2OC)nn1 ZINC000600973763 358364471 /nfs/dbraw/zinc/36/44/71/358364471.db2.gz RDSXRKKSYYKTFX-UHFFFAOYSA-N 1 0 305.338 1.698 20 5 DDBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(c2nc(=O)[nH][nH]2)CC1 ZINC000280697956 215799440 /nfs/dbraw/zinc/79/94/40/215799440.db2.gz AFRHNKSOIQPGKH-SNVBAGLBSA-N 1 0 317.349 1.947 20 5 DDBDRO O=[N+]([O-])c1cc(F)cnc1NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000601130872 358415366 /nfs/dbraw/zinc/41/53/66/358415366.db2.gz CUWRSHFGIWUTAF-GFCCVEGCSA-N 1 0 310.329 1.794 20 5 DDBDRO CNC(=O)c1ccc(N2CC[N@H+](C)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000601187107 358439193 /nfs/dbraw/zinc/43/91/93/358439193.db2.gz ODUYUUWFUDRXMZ-UHFFFAOYSA-N 1 0 306.366 1.485 20 5 DDBDRO C[C@@H]1[C@H](C(=O)N[C@@](C)(CO)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000601774750 358690131 /nfs/dbraw/zinc/69/01/31/358690131.db2.gz DJZOKPUHORONQY-XFJVYGCCSA-N 1 0 321.377 1.259 20 5 DDBDRO COc1cccc(N2CC[C@@H](C[NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000185484112 199858170 /nfs/dbraw/zinc/85/81/70/199858170.db2.gz JCCKSUFQHNNKRM-ZDUSSCGKSA-N 1 0 321.377 1.762 20 5 DDBDRO CC(=O)c1cc(NC[C@@H](C)N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000287655289 219656605 /nfs/dbraw/zinc/65/66/05/219656605.db2.gz CFXBLJXPKNNOLR-GFCCVEGCSA-N 1 0 320.393 1.845 20 5 DDBDRO O=C(NC1CC[NH2+]CC1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000602421479 358966132 /nfs/dbraw/zinc/96/61/32/358966132.db2.gz LJRSJHFQJVXVQC-UHFFFAOYSA-N 1 0 303.362 1.885 20 5 DDBDRO C[C@@H]1CN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CC[NH2+]1 ZINC000602434381 358973956 /nfs/dbraw/zinc/97/39/56/358973956.db2.gz QFIQYAXUMJAPRC-GFCCVEGCSA-N 1 0 303.362 1.837 20 5 DDBDRO O=C(COc1ccccc1[N+](=O)[O-])N[C@H]1CC[NH2+]C12CCC2 ZINC000602527538 359027211 /nfs/dbraw/zinc/02/72/11/359027211.db2.gz ROUGMAXDAVWBAJ-ZDUSSCGKSA-N 1 0 305.334 1.374 20 5 DDBDRO CN1CCC[C@@H]1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602527910 359027420 /nfs/dbraw/zinc/02/74/20/359027420.db2.gz JOSSDVORAAVEQD-CQSZACIVSA-N 1 0 319.409 1.642 20 5 DDBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N[C@@H]1CC[NH2+]C12CCC2 ZINC000602530044 359029704 /nfs/dbraw/zinc/02/97/04/359029704.db2.gz GJMIRAPIWLQEBX-CQSZACIVSA-N 1 0 318.377 1.798 20 5 DDBDRO Cc1c(CC(=O)N[C@H]2CC[NH2+]C23CCC3)cccc1[N+](=O)[O-] ZINC000602535587 359032243 /nfs/dbraw/zinc/03/22/43/359032243.db2.gz ZXSCDRROSIFDGZ-AWEZNQCLSA-N 1 0 303.362 1.847 20 5 DDBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000602572919 359050360 /nfs/dbraw/zinc/05/03/60/359050360.db2.gz UXCPHQYMNLQYDB-OPQQBVKSSA-N 1 0 309.391 1.942 20 5 DDBDRO CC(C)[C@@](C)(O)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602558106 359045062 /nfs/dbraw/zinc/04/50/62/359045062.db2.gz RGFQNHITSPKCML-INIZCTEOSA-N 1 0 322.409 1.955 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@H]3CCC[C@@H]3O)CC2)cn1 ZINC000602558445 359045072 /nfs/dbraw/zinc/04/50/72/359045072.db2.gz AJPVUORMHWKOLY-DOMZBBRYSA-N 1 0 320.393 1.709 20 5 DDBDRO CC(C)(C)[C@H](O)C[C@H](CO)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602656240 359104106 /nfs/dbraw/zinc/10/41/06/359104106.db2.gz XJJJSUYOEIKLDR-UKRRQHHQSA-N 1 0 310.394 1.885 20 5 DDBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000602590081 359058977 /nfs/dbraw/zinc/05/89/77/359058977.db2.gz IBFVNULXWVNQCZ-PHIMTYICSA-N 1 0 301.302 1.917 20 5 DDBDRO CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]CCn1c(C)ncc1[N+](=O)[O-] ZINC000602840388 359230388 /nfs/dbraw/zinc/23/03/88/359230388.db2.gz NQPFKQKSLXAEFZ-NEPJUHHUSA-N 1 0 310.354 1.421 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](CCO)c1ccccc1F ZINC000602852269 359238728 /nfs/dbraw/zinc/23/87/28/359238728.db2.gz ORHNIAQDCSAZNA-CQSZACIVSA-N 1 0 322.340 1.952 20 5 DDBDRO COC(=O)[C@@H]1CCCC[C@@]1(C)[NH2+]Cc1cn(C)nc1[N+](=O)[O-] ZINC000602795107 359197964 /nfs/dbraw/zinc/19/79/64/359197964.db2.gz LIYBLNCIPSKAOQ-SMDDNHRTSA-N 1 0 310.354 1.540 20 5 DDBDRO C[C@@H](c1ccccc1)[C@H](CO)[NH2+]Cc1cn(C)nc1[N+](=O)[O-] ZINC000602810853 359206762 /nfs/dbraw/zinc/20/67/62/359206762.db2.gz OVRBKUGNTSWFCR-FZMZJTMJSA-N 1 0 304.350 1.583 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCc2cc[nH]c(=O)c2C1 ZINC000602820461 359214093 /nfs/dbraw/zinc/21/40/93/359214093.db2.gz LUEIOHQJOPYTEK-UHFFFAOYSA-N 1 0 303.322 1.259 20 5 DDBDRO O=[N+]([O-])c1ccc(Cn2cc(C[C@H]3CCC[NH2+]C3)nn2)c(F)c1 ZINC000603224551 359496090 /nfs/dbraw/zinc/49/60/90/359496090.db2.gz QIKRVPWMNRRINR-LLVKDONJSA-N 1 0 319.340 1.916 20 5 DDBDRO C[NH2+]C(C)(C)c1cn(Cc2ccc(OC)c([N+](=O)[O-])c2)nn1 ZINC000603206878 359480828 /nfs/dbraw/zinc/48/08/28/359480828.db2.gz XPMRKDWCANRGJJ-UHFFFAOYSA-N 1 0 305.338 1.698 20 5 DDBDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000186749069 200002834 /nfs/dbraw/zinc/00/28/34/200002834.db2.gz KVVMOXODLDLMQS-PRHODGIISA-N 1 0 308.294 1.231 20 5 DDBDRO CN(CC[N@H+](C)C1CC1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000186766731 200006016 /nfs/dbraw/zinc/00/60/16/200006016.db2.gz OCOBPGYHCOFUTJ-UHFFFAOYSA-N 1 0 306.366 1.220 20 5 DDBDRO Cn1cc(CN2CC[C@@H](C[NH3+])c3ccccc32)c([N+](=O)[O-])n1 ZINC000603427116 359633820 /nfs/dbraw/zinc/63/38/20/359633820.db2.gz BAOWUMZNRILFNU-NSHDSACASA-N 1 0 301.350 1.781 20 5 DDBDRO CN1CCC[C@H]([NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000618565176 363676811 /nfs/dbraw/zinc/67/68/11/363676811.db2.gz GCTIJXKZWIDRME-BFHYXJOUSA-N 1 0 307.398 1.959 20 5 DDBDRO COC1(CO)CC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000618551703 363668650 /nfs/dbraw/zinc/66/86/50/363668650.db2.gz LOHKIYFWUVRDSF-UHFFFAOYSA-N 1 0 324.377 1.837 20 5 DDBDRO CNC(=O)[C@@]1(C)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000281133972 216101013 /nfs/dbraw/zinc/10/10/13/216101013.db2.gz NSJKTCUDDJCMLO-AWEZNQCLSA-N 1 0 322.321 1.461 20 5 DDBDRO [NH3+]C[C@@H](NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)C1CC1 ZINC000237797919 202357530 /nfs/dbraw/zinc/35/75/30/202357530.db2.gz MKXBFNOEJSNWNJ-GFCCVEGCSA-N 1 0 315.333 1.248 20 5 DDBDRO Nc1c(C(=O)N2CCC(OCCC[NH3+])CC2)cccc1[N+](=O)[O-] ZINC000237825214 202363964 /nfs/dbraw/zinc/36/39/64/202363964.db2.gz SOLPCDURMPPRLG-UHFFFAOYSA-N 1 0 322.365 1.147 20 5 DDBDRO CO[C@H]1C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC[C@@H]1C ZINC000189318133 200381043 /nfs/dbraw/zinc/38/10/43/200381043.db2.gz UBUONCFZSBKOJG-NOLJZWGESA-N 1 0 324.377 1.691 20 5 DDBDRO CCN1CC[NH+](C[C@@H](C)CNc2cccnc2[N+](=O)[O-])CC1 ZINC000609111602 360260459 /nfs/dbraw/zinc/26/04/59/360260459.db2.gz PIQMSQXLXHZROA-ZDUSSCGKSA-N 1 0 307.398 1.675 20 5 DDBDRO CC(C)[NH2+][C@H]1CCCN(C(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000609135858 360263519 /nfs/dbraw/zinc/26/35/19/360263519.db2.gz YEWDGUBNGDNPMA-LBPRGKRZSA-N 1 0 309.370 1.170 20 5 DDBDRO CC[NH+]1CCN([C@@H]2CCN(c3ccsc3[N+](=O)[O-])C2)CC1 ZINC000609288431 360288305 /nfs/dbraw/zinc/28/83/05/360288305.db2.gz VLCXAFPNVGXEMP-GFCCVEGCSA-N 1 0 310.423 1.873 20 5 DDBDRO CCCc1n[nH]c(C(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)c1[N+](=O)[O-] ZINC000609476891 360311822 /nfs/dbraw/zinc/31/18/22/360311822.db2.gz YEMCCKLJZKAJFI-LLVKDONJSA-N 1 0 323.397 1.873 20 5 DDBDRO C[C@@H]([NH2+]CCCN(C)S(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000610420402 360430589 /nfs/dbraw/zinc/43/05/89/360430589.db2.gz PFKGIWMADRJWJM-LLVKDONJSA-N 1 0 315.395 1.527 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC000610798379 360540276 /nfs/dbraw/zinc/54/02/76/360540276.db2.gz YNEGUSPLHCJQFX-RYUDHWBXSA-N 1 0 312.391 1.989 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CC(Cc3ccccc3)C2)c1 ZINC000611178180 360650104 /nfs/dbraw/zinc/65/01/04/360650104.db2.gz WKTLCLOCFDEROT-MRXNPFEDSA-N 1 0 316.361 1.327 20 5 DDBDRO CC(C)[NH+]1CCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000611253860 360680950 /nfs/dbraw/zinc/68/09/50/360680950.db2.gz GZQOVIKNONLQTF-UHFFFAOYSA-N 1 0 321.377 1.892 20 5 DDBDRO C[NH+](C)[C@@H](CNc1cc(N)c([N+](=O)[O-])c(CO)c1)c1ccco1 ZINC000611525048 360747160 /nfs/dbraw/zinc/74/71/60/360747160.db2.gz GKMIHGAJLGWUEF-ZDUSSCGKSA-N 1 0 320.349 1.977 20 5 DDBDRO Cc1cc(NCCC[N@@H+]2CCC[C@@H]2C(N)=O)c(F)cc1[N+](=O)[O-] ZINC000292689339 223202615 /nfs/dbraw/zinc/20/26/15/223202615.db2.gz RKWLPQWSIPODIZ-CYBMUJFWSA-N 1 0 324.356 1.794 20 5 DDBDRO CC(C)(CNC(=O)c1ccc([N+](=O)[O-])cn1)C[NH+]1CCCC1 ZINC000579423989 422763612 /nfs/dbraw/zinc/76/36/12/422763612.db2.gz MXNHLRWHBZKILR-UHFFFAOYSA-N 1 0 306.366 1.842 20 5 DDBDRO Cc1c(C(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)cccc1[N+](=O)[O-] ZINC000619873382 364170561 /nfs/dbraw/zinc/17/05/61/364170561.db2.gz IIIDYFHGYCPEHA-ZDUSSCGKSA-N 1 0 318.377 1.023 20 5 DDBDRO NC(=O)c1ccc(N2CC[C@H](C[NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000292943772 223320583 /nfs/dbraw/zinc/32/05/83/223320583.db2.gz BLDBAYFVDPFVQH-GFCCVEGCSA-N 1 0 318.377 1.616 20 5 DDBDRO C[C@@H](NC(=O)NC[C@@H]1CCC[NH2+]C1)c1ccccc1[N+](=O)[O-] ZINC000417995383 296081736 /nfs/dbraw/zinc/08/17/36/296081736.db2.gz ZMMKKZOYOQXMFF-VXGBXAGGSA-N 1 0 306.366 1.955 20 5 DDBDRO Cc1ccc(NCCCNC(=O)[C@@H]2CC[NH2+][C@@H]2C)c([N+](=O)[O-])c1 ZINC000566185782 304125864 /nfs/dbraw/zinc/12/58/64/304125864.db2.gz SCEVGDDYLGCEGG-CHWSQXEVSA-N 1 0 320.393 1.819 20 5 DDBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000264670900 204067798 /nfs/dbraw/zinc/06/77/98/204067798.db2.gz JGUCPROXTSTKGH-LBPRGKRZSA-N 1 0 306.366 1.781 20 5 DDBDRO C[NH+](C)[C@H]1CCCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000264644600 204051389 /nfs/dbraw/zinc/05/13/89/204051389.db2.gz WKEUVBALJHIGPS-GJZGRUSLSA-N 1 0 323.393 1.361 20 5 DDBDRO COc1ccc(NC(=O)NC[C@H]2CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000274879556 212003988 /nfs/dbraw/zinc/00/39/88/212003988.db2.gz HTFCEOYJEXLGRG-SNVBAGLBSA-N 1 0 308.338 1.677 20 5 DDBDRO NC(=O)[C@@H](Cc1ccccc1)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000351439817 284325909 /nfs/dbraw/zinc/32/59/09/284325909.db2.gz HNSHIPZHAMUVKT-OAHLLOKOSA-N 1 0 313.357 1.824 20 5 DDBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CCn2ccnc2)n1 ZINC000351491444 284340747 /nfs/dbraw/zinc/34/07/47/284340747.db2.gz GXAHMTHUUKQDLM-STQMWFEESA-N 1 0 304.354 1.761 20 5 DDBDRO COCCC[N@H+](C)CCNC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000266150300 205139669 /nfs/dbraw/zinc/13/96/69/205139669.db2.gz KJWMOLGNRBTUAP-UHFFFAOYSA-N 1 0 309.366 1.601 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000566620804 304172028 /nfs/dbraw/zinc/17/20/28/304172028.db2.gz XFJWFCJUSOWQAZ-NSHDSACASA-N 1 0 307.350 1.804 20 5 DDBDRO CC[N@@H+]1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000288397142 220132418 /nfs/dbraw/zinc/13/24/18/220132418.db2.gz LANCHZNUJLCTMQ-GFCCVEGCSA-N 1 0 307.350 1.526 20 5 DDBDRO CC[NH+](CC)CCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000023380604 182359513 /nfs/dbraw/zinc/35/95/13/182359513.db2.gz SBIIHTOKAYRVJQ-UHFFFAOYSA-N 1 0 315.395 1.752 20 5 DDBDRO [NH3+]C1(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000036266618 182811057 /nfs/dbraw/zinc/81/10/57/182811057.db2.gz XCFXXVHJAXCZPN-UHFFFAOYSA-N 1 0 313.379 1.535 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2CC[N@@H+](C3CC3)C2)n1 ZINC000336858942 249266597 /nfs/dbraw/zinc/26/65/97/249266597.db2.gz CYOFCGGTDQOVNZ-VIFPVBQESA-N 1 0 306.322 1.425 20 5 DDBDRO O=C(NC1CC1)N[C@@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000274031423 211290042 /nfs/dbraw/zinc/29/00/42/211290042.db2.gz QLQDDFJCJZDPDN-CQSZACIVSA-N 1 0 318.377 1.673 20 5 DDBDRO CC(C)[C@@H](CCO)[NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000274011490 211271134 /nfs/dbraw/zinc/27/11/34/211271134.db2.gz LUVRRVYQLQVSPY-BXUZGUMPSA-N 1 0 309.366 1.918 20 5 DDBDRO CC(C)[NH+]1CCC(NC(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000046319976 183559622 /nfs/dbraw/zinc/55/96/22/183559622.db2.gz BAXATPFVDSWXAS-UHFFFAOYSA-N 1 0 321.377 1.963 20 5 DDBDRO C[NH+](C)Cc1ccccc1CNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000284856022 218209110 /nfs/dbraw/zinc/20/91/10/218209110.db2.gz DCNUWVDQFRUTAL-UHFFFAOYSA-N 1 0 303.322 1.310 20 5 DDBDRO CCCc1n[nH]c(C(=O)N2CCC[N@H+](CC)CC2)c1[N+](=O)[O-] ZINC000159523860 197360571 /nfs/dbraw/zinc/36/05/71/197360571.db2.gz ODAYTMWOGXFRQL-UHFFFAOYSA-N 1 0 309.370 1.438 20 5 DDBDRO CC[C@H]1CN(Cc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C[C@@H](C)O ZINC000105825382 194138031 /nfs/dbraw/zinc/13/80/31/194138031.db2.gz CQQJVZJJQAKOOM-HIFRSBDPSA-N 1 0 307.394 1.872 20 5 DDBDRO CCOCC[NH+]1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000105831140 194139964 /nfs/dbraw/zinc/13/99/64/194139964.db2.gz HUIBWYJSCUKNML-UHFFFAOYSA-N 1 0 323.393 1.628 20 5 DDBDRO C[N@H+](CCNC(=O)c1cc([N+](=O)[O-])n[nH]1)Cc1ccccc1 ZINC000285102151 218291311 /nfs/dbraw/zinc/29/13/11/218291311.db2.gz MBJUIUCZBJMKRT-UHFFFAOYSA-N 1 0 303.322 1.180 20 5 DDBDRO Cc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])n[nH]2)[NH+](C)C)cc1 ZINC000285179475 218322697 /nfs/dbraw/zinc/32/26/97/218322697.db2.gz QZCWEWUEYRTAMO-ZDUSSCGKSA-N 1 0 317.349 1.659 20 5 DDBDRO Nc1ccc(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)cc1[N+](=O)[O-] ZINC000106791613 194252749 /nfs/dbraw/zinc/25/27/49/194252749.db2.gz RUYWCFUMTFOBIK-GFCCVEGCSA-N 1 0 318.377 1.924 20 5 DDBDRO O=[N+]([O-])c1cc(F)c(C[NH2+][C@H](CO)[C@@H]2CCCOC2)c(F)c1 ZINC000411988708 223939602 /nfs/dbraw/zinc/93/96/02/223939602.db2.gz OOMXEJYCTQPAQI-YMTOWFKASA-N 1 0 316.304 1.750 20 5 DDBDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000060452958 184149567 /nfs/dbraw/zinc/14/95/67/184149567.db2.gz PBAXCOZDFZKRRH-GFCCVEGCSA-N 1 0 311.386 1.418 20 5 DDBDRO C[C@@H]1C[C@H](O)C[N@@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000340921179 251277671 /nfs/dbraw/zinc/27/76/71/251277671.db2.gz XLEBANITEIXGNR-PWSUYJOCSA-N 1 0 321.333 1.348 20 5 DDBDRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000341106283 251383523 /nfs/dbraw/zinc/38/35/23/251383523.db2.gz WKAZQVMWPSDXQI-NWDGAFQWSA-N 1 0 306.366 1.321 20 5 DDBDRO C[C@H]([NH3+])[C@@H]1CCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000063193844 184277713 /nfs/dbraw/zinc/27/77/13/184277713.db2.gz ODGFFQLLJPKTHC-GWCFXTLKSA-N 1 0 313.379 1.485 20 5 DDBDRO CC(C)(C(=O)NC[C@@H]1CCC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000269126776 207260554 /nfs/dbraw/zinc/26/05/54/207260554.db2.gz FOTPJDUVEIBWPD-GFCCVEGCSA-N 1 0 305.378 1.988 20 5 DDBDRO C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N(C)C)[C@@H]1CCC[NH2+]C1 ZINC000269219121 207336820 /nfs/dbraw/zinc/33/68/20/207336820.db2.gz RWEYZWJCIJHOKX-VXGBXAGGSA-N 1 0 320.393 1.779 20 5 DDBDRO CO[C@@H]1C[C@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000451475447 532963886 /nfs/dbraw/zinc/96/38/86/532963886.db2.gz CNVVDTUHSYRUNS-VHDGCEQUSA-N 1 0 324.377 1.738 20 5 DDBDRO C[NH2+][C@H]1CCCN(C(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)C1 ZINC000422766668 533023376 /nfs/dbraw/zinc/02/33/76/533023376.db2.gz MDTQGYMLRRAVOP-LBPRGKRZSA-N 1 0 307.350 1.736 20 5 DDBDRO C[NH2+][C@H]1CCN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000430612329 533039469 /nfs/dbraw/zinc/03/94/69/533039469.db2.gz RXBVLHWTDVOXIV-NEPJUHHUSA-N 1 0 306.366 1.524 20 5 DDBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)NC[C@H]1CC[NH2+]C1 ZINC000272976746 210358077 /nfs/dbraw/zinc/35/80/77/210358077.db2.gz CLORWTWPUCHIMS-LBPRGKRZSA-N 1 0 306.366 1.513 20 5 DDBDRO O=[N+]([O-])c1cccc(F)c1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000287958333 285156379 /nfs/dbraw/zinc/15/63/79/285156379.db2.gz SQFARWVFROFDQQ-LBPRGKRZSA-N 1 0 309.341 1.892 20 5 DDBDRO O=[N+]([O-])c1cccnc1N1CC[NH+](C[C@H]2CCCOC2)CC1 ZINC000453581902 285166473 /nfs/dbraw/zinc/16/64/73/285166473.db2.gz VNSFVQKUIZUYAH-CYBMUJFWSA-N 1 0 306.366 1.538 20 5 DDBDRO O=[N+]([O-])c1cnc(N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)nc1 ZINC000274025829 285177306 /nfs/dbraw/zinc/17/73/06/285177306.db2.gz WMZDQTWLXRGZIE-RISCZKNCSA-N 1 0 303.366 1.838 20 5 DDBDRO Cc1ccc(NCCCNC(=O)[C@@H]2CCC[NH2+]2)c([N+](=O)[O-])c1 ZINC000156935259 197150927 /nfs/dbraw/zinc/15/09/27/197150927.db2.gz HKJCVUWIDRQHNB-ZDUSSCGKSA-N 1 0 306.366 1.573 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@@H]1CCC[C@@H]1O ZINC000352661543 285205625 /nfs/dbraw/zinc/20/56/25/285205625.db2.gz UALZPJGHNAVZEL-KGLIPLIRSA-N 1 0 307.350 1.687 20 5 DDBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000289509042 221027630 /nfs/dbraw/zinc/02/76/30/221027630.db2.gz AFDVZLDJIPBGEQ-CHWSQXEVSA-N 1 0 319.361 1.432 20 5 DDBDRO C[NH2+]CCCNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000120942839 195268361 /nfs/dbraw/zinc/26/83/61/195268361.db2.gz LDHBJDXTFOMTHR-UHFFFAOYSA-N 1 0 303.322 1.120 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000414662110 533225577 /nfs/dbraw/zinc/22/55/77/533225577.db2.gz YNPNYLXYIGOTTJ-KOLCDFICSA-N 1 0 308.338 1.804 20 5 DDBDRO CCc1ccc(C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000290019722 221383757 /nfs/dbraw/zinc/38/37/57/221383757.db2.gz ZZUHBEUBFHZCLQ-ZIAGYGMSSA-N 1 0 303.362 1.839 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000414656118 224369399 /nfs/dbraw/zinc/36/93/99/224369399.db2.gz MKTCPQMJTQGFNR-AOOOYVTPSA-N 1 0 306.322 1.287 20 5 DDBDRO COc1cc(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)ccc1[N+](=O)[O-] ZINC000299690375 533547787 /nfs/dbraw/zinc/54/77/87/533547787.db2.gz VWTLYVGPBKJMKC-OLZOCXBDSA-N 1 0 319.361 1.960 20 5 DDBDRO C[C@H](NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000418233994 533604272 /nfs/dbraw/zinc/60/42/72/533604272.db2.gz PIRGKPIDIAZLHY-IACUBPJLSA-N 1 0 318.377 1.907 20 5 DDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC(CC[NH3+])CC1 ZINC000568871254 304317792 /nfs/dbraw/zinc/31/77/92/304317792.db2.gz DHBZBTBGYLRZLO-GFCCVEGCSA-N 1 0 320.393 1.983 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]([NH3+])CCSC ZINC000353441097 285733747 /nfs/dbraw/zinc/73/37/47/285733747.db2.gz PBKWIEXELXZDLD-NSHDSACASA-N 1 0 313.379 1.300 20 5 DDBDRO C[C@H](CCC[NH3+])NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000570383512 304408787 /nfs/dbraw/zinc/40/87/87/304408787.db2.gz SFUKQRKEXYYWNT-LLVKDONJSA-N 1 0 306.366 1.790 20 5 DDBDRO O=C(NC[C@@H]1CCC[NH2+]1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000178735353 407571174 /nfs/dbraw/zinc/57/11/74/407571174.db2.gz GXFOOQRNYAJOFV-LBPRGKRZSA-N 1 0 318.377 1.677 20 5 DDBDRO CCCc1n[nH]c(C(=O)NC2CC[NH+](C3CC3)CC2)c1[N+](=O)[O-] ZINC000069443378 406713319 /nfs/dbraw/zinc/71/33/19/406713319.db2.gz GHYMVLZHEALKEI-UHFFFAOYSA-N 1 0 321.381 1.627 20 5 DDBDRO C[C@@H](Cc1cccs1)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000071269858 406836105 /nfs/dbraw/zinc/83/61/05/406836105.db2.gz SFROQYDMHXXLSK-JQWIXIFHSA-N 1 0 310.379 1.435 20 5 DDBDRO Cc1ccc([C@@H](C)[NH2+]CCNS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000021018929 406889034 /nfs/dbraw/zinc/88/90/34/406889034.db2.gz KRZGAHOEUJDZKY-SNVBAGLBSA-N 1 0 301.368 1.103 20 5 DDBDRO CC(C)[NH+]1CCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000027419981 406910287 /nfs/dbraw/zinc/91/02/87/406910287.db2.gz YQJCWPKXNRCXOC-ZDUSSCGKSA-N 1 0 320.393 1.948 20 5 DDBDRO CCCC[N@H+](CCO)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000076951312 406975580 /nfs/dbraw/zinc/97/55/80/406975580.db2.gz GFXXQCJNDRKGIH-UHFFFAOYSA-N 1 0 321.377 1.578 20 5 DDBDRO CCCC[N@H+](CCO)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000076951266 406976222 /nfs/dbraw/zinc/97/62/22/406976222.db2.gz SNQKTZREWSJCKZ-UHFFFAOYSA-N 1 0 309.366 1.652 20 5 DDBDRO COc1ccc(C[NH2+]C[C@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000038084207 406999035 /nfs/dbraw/zinc/99/90/35/406999035.db2.gz ACOLZVUUZLAAOL-LLVKDONJSA-N 1 0 314.363 1.128 20 5 DDBDRO C[N@H+](CCNC(=O)Cn1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000053349351 407167330 /nfs/dbraw/zinc/16/73/30/407167330.db2.gz ZKSMZHBZXUUALB-UHFFFAOYSA-N 1 0 317.349 1.040 20 5 DDBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1c([N+](=O)[O-])cnn1C ZINC000122383538 407299026 /nfs/dbraw/zinc/29/90/26/407299026.db2.gz HLLLRBSUBOLHMP-LLVKDONJSA-N 1 0 309.370 1.323 20 5 DDBDRO C[NH+]1CCC(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000101522540 407309924 /nfs/dbraw/zinc/30/99/24/407309924.db2.gz NDMPPROWHIJGOO-UHFFFAOYSA-N 1 0 310.329 1.388 20 5 DDBDRO CC[NH+]1CCN([C@H]2CCN(Cc3csc([N+](=O)[O-])c3)C2)CC1 ZINC000107372364 407374212 /nfs/dbraw/zinc/37/42/12/407374212.db2.gz ATFXWJPTVAJSEM-AWEZNQCLSA-N 1 0 324.450 1.868 20 5 DDBDRO CNC(=O)[C@@H]1CCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000111267801 407403699 /nfs/dbraw/zinc/40/36/99/407403699.db2.gz JLSMYSHONQUFFX-CYBMUJFWSA-N 1 0 321.377 1.822 20 5 DDBDRO CCCC[N@H+](C)CCNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000112309380 407425829 /nfs/dbraw/zinc/42/58/29/407425829.db2.gz ADFWWSRVZWKKAT-UHFFFAOYSA-N 1 0 319.365 1.933 20 5 DDBDRO CC[N@@H+](Cc1cnn(C)c1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000178580355 407499860 /nfs/dbraw/zinc/49/98/60/407499860.db2.gz KQZNJXASPNFUEL-HNNXBMFYSA-N 1 0 304.350 1.884 20 5 DDBDRO COC[C@@H]1CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000265762645 407441776 /nfs/dbraw/zinc/44/17/76/407441776.db2.gz HISXIZFDRNSJKR-OCCSQVGLSA-N 1 0 310.350 1.303 20 5 DDBDRO C[NH+]1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000128243428 407512787 /nfs/dbraw/zinc/51/27/87/407512787.db2.gz QMNJULSZSZJFJZ-UHFFFAOYSA-N 1 0 310.329 1.310 20 5 DDBDRO COCC[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000171128418 407606954 /nfs/dbraw/zinc/60/69/54/407606954.db2.gz JOHHEZULBPAPOS-UHFFFAOYSA-N 1 0 301.368 1.273 20 5 DDBDRO CC(C)(O)C[NH+]1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000171148212 407611941 /nfs/dbraw/zinc/61/19/41/407611941.db2.gz JOBMZVQHYICIAS-UHFFFAOYSA-N 1 0 323.393 1.362 20 5 DDBDRO Cc1c(CN2CCN([C@H]3CC[NH2+]C3)CC2)cccc1[N+](=O)[O-] ZINC000261816590 407626872 /nfs/dbraw/zinc/62/68/72/407626872.db2.gz AHGCSXRNLOAANC-HNNXBMFYSA-N 1 0 304.394 1.383 20 5 DDBDRO COC(=O)[C@@]1(C)CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000178866883 407634196 /nfs/dbraw/zinc/63/41/96/407634196.db2.gz DPESEKAWIDKYPG-ZFWWWQNUSA-N 1 0 308.334 1.513 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[NH2+]C[C@@H]1C ZINC000261874130 407651879 /nfs/dbraw/zinc/65/18/79/407651879.db2.gz PNSWTHTXHYQMDW-NSHDSACASA-N 1 0 322.365 1.226 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261891882 407657341 /nfs/dbraw/zinc/65/73/41/407657341.db2.gz VHHXXSYFFDZWSA-TXEJJXNPSA-N 1 0 319.361 1.675 20 5 DDBDRO Cc1ccnc(N2CCC([N@H+](C)CCCO)CC2)c1[N+](=O)[O-] ZINC000115519878 407687964 /nfs/dbraw/zinc/68/79/64/407687964.db2.gz WZXBENGNEVUXOB-UHFFFAOYSA-N 1 0 308.382 1.581 20 5 DDBDRO CC[C@@H]([NH2+]CCS(=O)(=O)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000230994674 407696356 /nfs/dbraw/zinc/69/63/56/407696356.db2.gz NNVBHKLRUPATAQ-CYBMUJFWSA-N 1 0 315.395 1.527 20 5 DDBDRO CO[C@@H]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000262103533 407740729 /nfs/dbraw/zinc/74/07/29/407740729.db2.gz JBKSUNBUTJGWCK-QWHCGFSZSA-N 1 0 311.313 1.312 20 5 DDBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000272066273 407761879 /nfs/dbraw/zinc/76/18/79/407761879.db2.gz BMKRHOJSSPOLQX-SECBINFHSA-N 1 0 321.362 1.424 20 5 DDBDRO C[NH+](C)C1(CNC(=O)c2cccc([N+](=O)[O-])c2N)CCCC1 ZINC000267198846 407786781 /nfs/dbraw/zinc/78/67/81/407786781.db2.gz NHAGJNFRDOGIIR-UHFFFAOYSA-N 1 0 306.366 1.781 20 5 DDBDRO C[NH+](C)C(C)(C)CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000272163376 407800316 /nfs/dbraw/zinc/80/03/16/407800316.db2.gz DSXPTIFWUSXGRP-UHFFFAOYSA-N 1 0 309.322 1.394 20 5 DDBDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000272179385 407805003 /nfs/dbraw/zinc/80/50/03/407805003.db2.gz DCLSFPXOJDZDGC-CMPLNLGQSA-N 1 0 318.377 1.978 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC(C3CCOCC3)CC2)n1 ZINC000153593239 407857706 /nfs/dbraw/zinc/85/77/06/407857706.db2.gz ZWLLNHXETQSHES-UHFFFAOYSA-N 1 0 308.382 1.930 20 5 DDBDRO C[C@H]([NH2+]CC(=O)N1C[C@@H](C)O[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000180412942 407886073 /nfs/dbraw/zinc/88/60/73/407886073.db2.gz RYCBUHZMEQVJRW-UPJWGTAASA-N 1 0 321.377 1.881 20 5 DDBDRO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@H]([C@@H](C)O)C2)cccc1[N+](=O)[O-] ZINC000272499376 407949058 /nfs/dbraw/zinc/94/90/58/407949058.db2.gz DLLOUYOSBCQEPA-XQQFMLRXSA-N 1 0 321.377 1.933 20 5 DDBDRO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@@H]([C@H](C)O)C2)cccc1[N+](=O)[O-] ZINC000272499374 407950821 /nfs/dbraw/zinc/95/08/21/407950821.db2.gz DLLOUYOSBCQEPA-RWMBFGLXSA-N 1 0 321.377 1.933 20 5 DDBDRO C[NH+](C)C1CN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000135039497 407969493 /nfs/dbraw/zinc/96/94/93/407969493.db2.gz FFLUOTZZNOTIDL-UHFFFAOYSA-N 1 0 315.333 1.167 20 5 DDBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000268162284 407922645 /nfs/dbraw/zinc/92/26/45/407922645.db2.gz CZEFGTNBLRUUKA-FZMZJTMJSA-N 1 0 303.362 1.736 20 5 DDBDRO C[C@H]1C[C@@H](N(C)C(=O)c2c(N)cccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000272570094 407989344 /nfs/dbraw/zinc/98/93/44/407989344.db2.gz CWQLOFHNJHPERV-QWRGUYRKSA-N 1 0 306.366 1.732 20 5 DDBDRO Cc1ccc(CN2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000245717512 408052505 /nfs/dbraw/zinc/05/25/05/408052505.db2.gz HGWBWQIDUHATOL-UONOGXRCSA-N 1 0 307.394 1.790 20 5 DDBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC[C@@H]([NH+](C)C)C1 ZINC000245826297 408075525 /nfs/dbraw/zinc/07/55/25/408075525.db2.gz YYQLHLJZNNUQFA-SWLSCSKDSA-N 1 0 320.393 1.948 20 5 DDBDRO C[C@H]1CCC[C@@H](CO)[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000136171079 408086013 /nfs/dbraw/zinc/08/60/13/408086013.db2.gz KNVDZKVPTDSYKV-QEJZJMRPSA-N 1 0 324.377 1.570 20 5 DDBDRO Cc1c([C@H](C)[NH2+]CCCNS(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000121208557 408163614 /nfs/dbraw/zinc/16/36/14/408163614.db2.gz CPXILKCECHVFQQ-NSHDSACASA-N 1 0 315.395 1.493 20 5 DDBDRO CC(C)[N@H+](C)CCNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000155564188 408180793 /nfs/dbraw/zinc/18/07/93/408180793.db2.gz XQKQCFZMWYUWDA-UHFFFAOYSA-N 1 0 315.395 1.354 20 5 DDBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000246398241 408245841 /nfs/dbraw/zinc/24/58/41/408245841.db2.gz FGQZCAKNIMSQHN-ZYHUDNBSSA-N 1 0 306.366 1.589 20 5 DDBDRO C[C@H]1CCC[N@H+](CCNC(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000175994830 408260609 /nfs/dbraw/zinc/26/06/09/408260609.db2.gz MDXVWLHZKUAQGE-NSHDSACASA-N 1 0 306.366 1.639 20 5 DDBDRO C[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)CC1CCOCC1 ZINC000155951313 408228296 /nfs/dbraw/zinc/22/82/96/408228296.db2.gz LOFZDICNQLRPCR-OAHLLOKOSA-N 1 0 324.377 1.693 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@H]2CCCC[C@@H]2n2cccn2)c1 ZINC000127728261 161932119 /nfs/dbraw/zinc/93/21/19/161932119.db2.gz CCBFOHBPCBFAHI-KGLIPLIRSA-N 1 0 304.354 1.761 20 5 DDBDRO C[NH2+]C[C@@H](C)CNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000133231106 162054151 /nfs/dbraw/zinc/05/41/51/162054151.db2.gz UQMJITKHYSUMBI-MRVPVSSYSA-N 1 0 321.786 1.382 20 5 DDBDRO C[NH2+]C[C@H](C)CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000133242817 162054502 /nfs/dbraw/zinc/05/45/02/162054502.db2.gz ISVDVGPERIDLDP-VIFPVBQESA-N 1 0 301.368 1.266 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N(C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000176379151 408352484 /nfs/dbraw/zinc/35/24/84/408352484.db2.gz ALIVQSPUCIFFCL-UHFFFAOYSA-N 1 0 310.310 1.445 20 5 DDBDRO C[C@@H]([NH3+])CCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000165870474 162164401 /nfs/dbraw/zinc/16/44/01/162164401.db2.gz RCWNQTUVBJOUGS-SSDOTTSWSA-N 1 0 316.155 1.824 20 5 DDBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000247301405 408447452 /nfs/dbraw/zinc/44/74/52/408447452.db2.gz PBCGEQMXEZFIFI-GXTWGEPZSA-N 1 0 318.377 1.733 20 5 DDBDRO CC(C)[N@@H+]1CCC[C@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000274555569 408448756 /nfs/dbraw/zinc/44/87/56/408448756.db2.gz YLLDYAPQSJLIQB-ZDUSSCGKSA-N 1 0 321.377 1.963 20 5 DDBDRO COCCOCCOCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000274405257 408394049 /nfs/dbraw/zinc/39/40/49/408394049.db2.gz NKGVDVINKOUMQB-UHFFFAOYSA-N 1 0 318.395 1.816 20 5 DDBDRO C[C@@H]1CC(O)C[C@@H](C)[NH+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000191264594 408397692 /nfs/dbraw/zinc/39/76/92/408397692.db2.gz SEQAWAMGMUYOIR-JMSVASOKSA-N 1 0 324.377 1.568 20 5 DDBDRO COCCN(CC[NH+](C)C)C(=O)c1csc([N+](=O)[O-])c1 ZINC000264233328 408415986 /nfs/dbraw/zinc/41/59/86/408415986.db2.gz YMGJKEMJZOFRAN-UHFFFAOYSA-N 1 0 301.368 1.307 20 5 DDBDRO C[C@@H]1C[C@H](N(C)C(=O)Nc2ccncc2[N+](=O)[O-])CC[N@@H+]1C ZINC000183555106 408439998 /nfs/dbraw/zinc/43/99/98/408439998.db2.gz LKYWIPUPRNYJEG-GHMZBOCLSA-N 1 0 307.354 1.936 20 5 DDBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000176959659 408485158 /nfs/dbraw/zinc/48/51/58/408485158.db2.gz XCSADBNYDSKRFP-GFCCVEGCSA-N 1 0 320.393 1.981 20 5 DDBDRO CC[NH+](CC)[C@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000176966447 408485995 /nfs/dbraw/zinc/48/59/95/408485995.db2.gz RESIXXSXTVDTFE-NSHDSACASA-N 1 0 306.366 1.733 20 5 DDBDRO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000247389997 408462516 /nfs/dbraw/zinc/46/25/16/408462516.db2.gz QIDCXTLBTPEKTI-GXTWGEPZSA-N 1 0 305.378 1.982 20 5 DDBDRO C[C@H]1C[C@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2N)CC[N@@H+]1C ZINC000176868370 408463028 /nfs/dbraw/zinc/46/30/28/408463028.db2.gz NKLJEFKFQBVKBO-WDEREUQCSA-N 1 0 306.366 1.732 20 5 DDBDRO C[C@@H]1C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]2CCCC[C@@H]21 ZINC000248404803 408561402 /nfs/dbraw/zinc/56/14/02/408561402.db2.gz AIGNUCMCBSSGLY-FAAHXZRKSA-N 1 0 308.382 1.663 20 5 DDBDRO COC[C@H]1CCC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000248466414 408574181 /nfs/dbraw/zinc/57/41/81/408574181.db2.gz SIPZURBNOKEKJI-UONOGXRCSA-N 1 0 324.377 1.693 20 5 DDBDRO CCCc1n[nH]c(C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000177144774 408533744 /nfs/dbraw/zinc/53/37/44/408533744.db2.gz YYCGSTDKPLKFKD-VHSXEESVSA-N 1 0 321.381 1.625 20 5 DDBDRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)C[C@H]12 ZINC000248652507 408608755 /nfs/dbraw/zinc/60/87/55/408608755.db2.gz VJVBYKSFMZGJKP-AQUOVQTQSA-N 1 0 320.305 1.312 20 5 DDBDRO Cc1nc(N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000275774973 408672481 /nfs/dbraw/zinc/67/24/81/408672481.db2.gz HMYJBLCTNJLTIO-NSHDSACASA-N 1 0 308.382 1.580 20 5 DDBDRO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@H](O)COC[C@H]1CCCO1 ZINC000248784320 408631573 /nfs/dbraw/zinc/63/15/73/408631573.db2.gz XLFIXPBKJDHMEO-LSDHHAIUSA-N 1 0 324.377 1.583 20 5 DDBDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000177486693 408636454 /nfs/dbraw/zinc/63/64/54/408636454.db2.gz YMUFFGNZDSVGBC-GHMZBOCLSA-N 1 0 324.356 1.919 20 5 DDBDRO Cn1c(Sc2ncccc2[N+](=O)[O-])nnc1[C@H]1CCC[NH2+]C1 ZINC000265439460 408651969 /nfs/dbraw/zinc/65/19/69/408651969.db2.gz HZDFBOYWWIKZAT-VIFPVBQESA-N 1 0 320.378 1.737 20 5 DDBDRO CN1CC[C@@H]([N@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])C1=O ZINC000265650085 408731433 /nfs/dbraw/zinc/73/14/33/408731433.db2.gz NQUXQIHPOLCOHZ-CYBMUJFWSA-N 1 0 320.349 1.086 20 5 DDBDRO C[C@@H]1C[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC[C@@H]1O ZINC000249527346 408737514 /nfs/dbraw/zinc/73/75/14/408737514.db2.gz AGGVRCOBRWMDOF-BZPMIXESSA-N 1 0 310.350 1.037 20 5 DDBDRO CCC1(CO)CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000270922603 408742289 /nfs/dbraw/zinc/74/22/89/408742289.db2.gz SCHVXYZTBPPTHF-UHFFFAOYSA-N 1 0 309.366 1.241 20 5 DDBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000249146433 408699250 /nfs/dbraw/zinc/69/92/50/408699250.db2.gz ULPXXBLXQSENTR-GXSJLCMTSA-N 1 0 308.338 1.108 20 5 DDBDRO C[NH+](C)CCN(C(=O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000194521657 408784536 /nfs/dbraw/zinc/78/45/36/408784536.db2.gz ZLWIAKFOZZFBLM-UHFFFAOYSA-N 1 0 317.349 1.386 20 5 DDBDRO O=[N+]([O-])c1ccc(OC[C@@H]2C[NH2+]CCO2)c(C(F)(F)F)c1 ZINC000164105414 408794972 /nfs/dbraw/zinc/79/49/72/408794972.db2.gz KUHJVRZMOSYLGF-VIFPVBQESA-N 1 0 306.240 1.981 20 5 DDBDRO CCC[C@H](C)[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000178000221 408755507 /nfs/dbraw/zinc/75/55/07/408755507.db2.gz UTWMOWUWXQHAKT-NSHDSACASA-N 1 0 315.395 1.651 20 5 DDBDRO [NH3+][C@H]1CC[C@@H]2CN(C(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)C[C@@H]12 ZINC000185130845 408765204 /nfs/dbraw/zinc/76/52/04/408765204.db2.gz NBERQTNIEKNCIX-FXAINCCUSA-N 1 0 315.333 1.280 20 5 DDBDRO CCC[C@]1([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCOC1 ZINC000285619174 408830111 /nfs/dbraw/zinc/83/01/11/408830111.db2.gz QOCNJDZNACWQPE-ZBFHGGJFSA-N 1 0 324.377 1.883 20 5 DDBDRO C[NH+](C)C/C=C/C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000276361666 408842293 /nfs/dbraw/zinc/84/22/93/408842293.db2.gz POFLIYXITNJTAM-ONEGZZNKSA-N 1 0 305.334 1.302 20 5 DDBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@](C)(C(N)=O)C1 ZINC000280876165 408851480 /nfs/dbraw/zinc/85/14/80/408851480.db2.gz ZUNTWEIMAUDJGS-BONVTDFDSA-N 1 0 320.349 1.119 20 5 DDBDRO Cc1ccnc(NCCN2CC[N@@H+](C)C(C)(C)C2)c1[N+](=O)[O-] ZINC000281600977 408895160 /nfs/dbraw/zinc/89/51/60/408895160.db2.gz IADAEEADYXXLBI-UHFFFAOYSA-N 1 0 307.398 1.736 20 5 DDBDRO C[C@@H](O)C[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(N)c2F)[C@H](C)C1 ZINC000281611730 408896679 /nfs/dbraw/zinc/89/66/79/408896679.db2.gz ZEULRBKZEWHTSF-NXEZZACHSA-N 1 0 312.345 1.207 20 5 DDBDRO O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CC[NH+]2CCC1CC2 ZINC000188849716 163073392 /nfs/dbraw/zinc/07/33/92/163073392.db2.gz YZGOTUKFNWTPPA-AATRIKPKSA-N 1 0 301.346 1.915 20 5 DDBDRO C[NH2+][C@@H](C)CNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000286053627 408915716 /nfs/dbraw/zinc/91/57/16/408915716.db2.gz LKCTWOWPDSHMCX-JTQLQIEISA-N 1 0 303.322 1.118 20 5 DDBDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)NCc3ccccc3[N+](=O)[O-])C2)C1 ZINC000291757939 408918946 /nfs/dbraw/zinc/91/89/46/408918946.db2.gz UOCMNPPLXIUUFI-MRXNPFEDSA-N 1 0 318.377 1.832 20 5 DDBDRO C[N@H+]1C[C@H]2CN(CC(=O)Nc3ccccc3[N+](=O)[O-])C[C@H]2C1 ZINC000193652402 163264993 /nfs/dbraw/zinc/26/49/93/163264993.db2.gz XPJPKFKRSZKPJW-TXEJJXNPSA-N 1 0 304.350 1.027 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)CCCO ZINC000281925832 408955345 /nfs/dbraw/zinc/95/53/45/408955345.db2.gz SDYLLMJWPDPTPZ-UHFFFAOYSA-N 1 0 311.338 1.246 20 5 DDBDRO Cc1nn(C)c(C(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)c1[N+](=O)[O-] ZINC000287136186 409004338 /nfs/dbraw/zinc/00/43/38/409004338.db2.gz MZVULMCHDULCAI-NEPJUHHUSA-N 1 0 321.381 1.336 20 5 DDBDRO CC[N@@H+]1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000286380141 408974050 /nfs/dbraw/zinc/97/40/50/408974050.db2.gz GQCPNUWKIGOSSU-UKRRQHHQSA-N 1 0 323.393 1.361 20 5 DDBDRO C[C@H](O)C[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000282094576 408990495 /nfs/dbraw/zinc/99/04/95/408990495.db2.gz OWOJEYKSQXETGV-RYUDHWBXSA-N 1 0 311.357 1.621 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@@H](C[NH+](C)C)C2)n1 ZINC000287317270 409017755 /nfs/dbraw/zinc/01/77/55/409017755.db2.gz MAVDUURXLZXBET-JTQLQIEISA-N 1 0 308.338 1.164 20 5 DDBDRO COCCO[C@H]1C[C@@H](CO)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000278037457 409055547 /nfs/dbraw/zinc/05/55/47/409055547.db2.gz BZOGZTXUHWQUBM-ZBFHGGJFSA-N 1 0 324.377 1.441 20 5 DDBDRO COc1ccc(OCC[N@@H+]2CCC[C@@H](O)CC2)c([N+](=O)[O-])c1 ZINC000293131632 409055775 /nfs/dbraw/zinc/05/57/75/409055775.db2.gz MXEYIXUNUVRPPJ-GFCCVEGCSA-N 1 0 310.350 1.829 20 5 DDBDRO C[C@@H](CN1CC[NH+](C)CC1)Nc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000278163265 409075871 /nfs/dbraw/zinc/07/58/71/409075871.db2.gz CGKBLWLXMRMJJC-LBPRGKRZSA-N 1 0 319.409 1.611 20 5 DDBDRO C[C@H](CN1CC[NH+](C)CC1)Nc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000278163260 409076168 /nfs/dbraw/zinc/07/61/68/409076168.db2.gz CGKBLWLXMRMJJC-GFCCVEGCSA-N 1 0 319.409 1.611 20 5 DDBDRO CCc1ccc(C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)cc1[N+](=O)[O-] ZINC000293597421 409145552 /nfs/dbraw/zinc/14/55/52/409145552.db2.gz ZODHGGPGOGEIQQ-UONOGXRCSA-N 1 0 303.362 1.981 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CC[N@H+](C)C2)c1 ZINC000283411240 409151383 /nfs/dbraw/zinc/15/13/83/409151383.db2.gz HYTWVARPICUUDJ-NSHDSACASA-N 1 0 307.350 1.675 20 5 DDBDRO CCC[NH2+]CCNC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000261616731 163672151 /nfs/dbraw/zinc/67/21/51/163672151.db2.gz GWQOEMKUIUBFCH-UHFFFAOYSA-N 1 0 323.349 1.024 20 5 DDBDRO COc1ccc(C(=O)N2CC[C@@H](OC)C[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000261626175 163674124 /nfs/dbraw/zinc/67/41/24/163674124.db2.gz CPAIBTKJWFMDIA-NWDGAFQWSA-N 1 0 323.349 1.182 20 5 DDBDRO O=c1nc([C@@H]2CCCCN2Cc2cccc([N+](=O)[O-])c2)[nH][nH]1 ZINC000289047482 409211870 /nfs/dbraw/zinc/21/18/70/409211870.db2.gz BWJRJJLBFAOHQQ-LBPRGKRZSA-N 1 0 303.322 1.733 20 5 DDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000290202470 409318471 /nfs/dbraw/zinc/31/84/71/409318471.db2.gz RKDFLVMKTGBUMS-VXGBXAGGSA-N 1 0 323.780 1.859 20 5 DDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000262771281 163876506 /nfs/dbraw/zinc/87/65/06/163876506.db2.gz MDRUPCWAHUQULO-GXSJLCMTSA-N 1 0 313.379 1.180 20 5 DDBDRO CC[C@H]([NH3+])CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000295302781 409422555 /nfs/dbraw/zinc/42/25/55/409422555.db2.gz VELNPWJDTRCPDE-NSHDSACASA-N 1 0 306.366 1.662 20 5 DDBDRO CNC(=O)[C@]1(C)CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000280721281 409425203 /nfs/dbraw/zinc/42/52/03/409425203.db2.gz IAYJDADTFAWPQV-DZGCQCFKSA-N 1 0 307.350 1.086 20 5 DDBDRO CC(C)[C@H](CNc1ccc([N+](=O)[O-])nc1)[NH+]1CCN(C)CC1 ZINC000315971642 164020779 /nfs/dbraw/zinc/02/07/79/164020779.db2.gz VHMLGBSBUNAPCE-AWEZNQCLSA-N 1 0 307.398 1.674 20 5 DDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000408028979 164202324 /nfs/dbraw/zinc/20/23/24/164202324.db2.gz VMODWNOVYOAALR-RYUDHWBXSA-N 1 0 309.370 1.029 20 5 DDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCCOCC[NH+](C)C ZINC000353922425 409561168 /nfs/dbraw/zinc/56/11/68/409561168.db2.gz PCKDYRANCSQOME-UHFFFAOYSA-N 1 0 324.381 1.857 20 5 DDBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CNC[C@@](C)(O)C[NH+](C)C ZINC000344855572 409532716 /nfs/dbraw/zinc/53/27/16/409532716.db2.gz GJJFEKCRZUZRGL-LPDYGMJQSA-N 1 0 307.394 1.900 20 5 DDBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](C[C@H]3CCCOC3)C2)nc1 ZINC000331461066 409532839 /nfs/dbraw/zinc/53/28/39/409532839.db2.gz JJJPGOIZHQZKRY-OLZOCXBDSA-N 1 0 306.366 1.903 20 5 DDBDRO CC(C)[N@H+](C)C[C@H](C)NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000356765383 409584151 /nfs/dbraw/zinc/58/41/51/409584151.db2.gz KILOQOKVQZKXNI-ZDUSSCGKSA-N 1 0 322.409 1.876 20 5 DDBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000342452885 409643388 /nfs/dbraw/zinc/64/33/88/409643388.db2.gz QPLOYVQMBSLFLY-WCQYABFASA-N 1 0 319.361 1.573 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NCC1([NH3+])CCC1 ZINC000342500294 409678749 /nfs/dbraw/zinc/67/87/49/409678749.db2.gz BDLNZKCMHZPCOB-UHFFFAOYSA-N 1 0 313.379 1.371 20 5 DDBDRO [NH3+]C[C@@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CCCO1 ZINC000313341780 409807558 /nfs/dbraw/zinc/80/75/58/409807558.db2.gz BBPCNWMYWPUWPB-GFCCVEGCSA-N 1 0 313.741 1.438 20 5 DDBDRO [NH3+]C[C@@H]1CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCCO1 ZINC000313355922 409808465 /nfs/dbraw/zinc/80/84/65/409808465.db2.gz NYHOSVVZFUPCLZ-SNVBAGLBSA-N 1 0 313.741 1.438 20 5 DDBDRO C[N@@H+]1C[C@H](NC(=O)c2cc([N+](=O)[O-])n[nH]2)[C@H](c2ccccc2)C1 ZINC000354521307 409915509 /nfs/dbraw/zinc/91/55/09/409915509.db2.gz NHZDAZDFWUSWHK-AAEUAGOBSA-N 1 0 315.333 1.146 20 5 DDBDRO O=C(NCC[C@H]1CCC[NH2+]1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000571387837 304457500 /nfs/dbraw/zinc/45/75/00/304457500.db2.gz JVTSRFSMOIBFKM-CYBMUJFWSA-N 1 0 318.377 1.805 20 5 DDBDRO CC(=O)c1cc(N2CCN(CCO)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000343034850 410091167 /nfs/dbraw/zinc/09/11/67/410091167.db2.gz BHSHHDXRYNXIFA-NSHDSACASA-N 1 0 307.350 1.300 20 5 DDBDRO O=C(CC[N@H+]1CCC[C@H](CO)C1)Nc1ccccc1[N+](=O)[O-] ZINC000298085592 410105467 /nfs/dbraw/zinc/10/54/67/410105467.db2.gz HQAOSMTZCLYWPR-LBPRGKRZSA-N 1 0 307.350 1.628 20 5 DDBDRO COCCCCC[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000298090042 410109116 /nfs/dbraw/zinc/10/91/16/410109116.db2.gz MPIWWEXYUFQRHT-UHFFFAOYSA-N 1 0 308.382 1.929 20 5 DDBDRO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])n1C)[N@@H+]1CCCC[C@H]1C ZINC000343076663 410125629 /nfs/dbraw/zinc/12/56/29/410125629.db2.gz NHECTAVUUKKFOV-NEPJUHHUSA-N 1 0 308.382 1.926 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@H](C)CO ZINC000298535606 410279111 /nfs/dbraw/zinc/27/91/11/410279111.db2.gz MOVLKYWXRQEAOV-SNVBAGLBSA-N 1 0 311.338 1.245 20 5 DDBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC[N@H+](C)CC1 ZINC000298638734 410324186 /nfs/dbraw/zinc/32/41/86/410324186.db2.gz OWLFWOPRWHEZMV-GFCCVEGCSA-N 1 0 306.366 1.559 20 5 DDBDRO C[C@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H](C)[NH+]1C ZINC000339611646 410327781 /nfs/dbraw/zinc/32/77/81/410327781.db2.gz GLWPKERAKRFTEM-QWRGUYRKSA-N 1 0 303.366 1.996 20 5 DDBDRO C[C@H]1CN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@H](C)[NH+]1C ZINC000339616197 410329833 /nfs/dbraw/zinc/32/98/33/410329833.db2.gz YRGMMGYWMMWTJV-STQMWFEESA-N 1 0 320.393 1.582 20 5 DDBDRO C[C@@H]1CN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H](C)[NH+]1C ZINC000339617410 410331703 /nfs/dbraw/zinc/33/17/03/410331703.db2.gz NIWCFUDNCHPELC-MGPQQGTHSA-N 1 0 323.393 1.359 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000351864492 410304319 /nfs/dbraw/zinc/30/43/19/410304319.db2.gz YIICHPTVCPBMDO-NWDGAFQWSA-N 1 0 306.366 1.511 20 5 DDBDRO Cn1ccnc1[C@H]1OCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000343387999 410413709 /nfs/dbraw/zinc/41/37/09/410413709.db2.gz NOPCJOVYQIPIIY-KGLIPLIRSA-N 1 0 302.334 1.948 20 5 DDBDRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000355376254 410481085 /nfs/dbraw/zinc/48/10/85/410481085.db2.gz XEPFMWCKHRBWAD-HUUCEWRRSA-N 1 0 319.361 1.530 20 5 DDBDRO CC(C)(C)[C@H](O)C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000343884841 410778831 /nfs/dbraw/zinc/77/88/31/410778831.db2.gz VRKWPMQYDWUDTF-WCQYABFASA-N 1 0 308.382 1.883 20 5 DDBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000330586592 410801565 /nfs/dbraw/zinc/80/15/65/410801565.db2.gz LTWHXYXSZQRZMB-NWDGAFQWSA-N 1 0 306.366 1.558 20 5 DDBDRO C[C@@](O)(C[NH2+]CCOc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000579948185 422861437 /nfs/dbraw/zinc/86/14/37/422861437.db2.gz TYTVFIXVSUUPPS-LLVKDONJSA-N 1 0 308.256 1.877 20 5 DDBDRO COc1cc(N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)c(F)cc1[N+](=O)[O-] ZINC000301943197 410833301 /nfs/dbraw/zinc/83/33/01/410833301.db2.gz XYMNQXUWVUXUFE-OCCSQVGLSA-N 1 0 311.313 1.262 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)N2CCC(C[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000331211112 411020584 /nfs/dbraw/zinc/02/05/84/411020584.db2.gz IMYITUKZYLKUEO-UHFFFAOYSA-N 1 0 323.397 1.855 20 5 DDBDRO Cc1ccc(NCCCNC(=O)[C@@H]2CCC[N@H+]2C)c([N+](=O)[O-])c1 ZINC000129192526 196027503 /nfs/dbraw/zinc/02/75/03/196027503.db2.gz RGMMVGKBMSTYMA-AWEZNQCLSA-N 1 0 320.393 1.916 20 5 DDBDRO O=C1CCC(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1 ZINC000580522172 422939137 /nfs/dbraw/zinc/93/91/37/422939137.db2.gz SRYUAVRVXPMLEM-UHFFFAOYSA-N 1 0 318.377 1.871 20 5 DDBDRO COCC[N@H+](C)C[C@H](O)CSc1ccc([N+](=O)[O-])cn1 ZINC000580660282 422947035 /nfs/dbraw/zinc/94/70/35/422947035.db2.gz YZHRIAPBYPRZAN-NSHDSACASA-N 1 0 301.368 1.021 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1CNC[C@](C)(O)C[NH+](C)C ZINC000131448186 196170077 /nfs/dbraw/zinc/17/00/77/196170077.db2.gz FNBYQVPKCAEJNG-HNNXBMFYSA-N 1 0 311.382 1.396 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC[C@@H]([NH3+])C2CC2)c1C ZINC000133126649 196313826 /nfs/dbraw/zinc/31/38/26/196313826.db2.gz UNNLUGHONPYWGO-GFCCVEGCSA-N 1 0 313.379 1.227 20 5 DDBDRO Cn1c(Cl)cnc1CNC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001120557896 782021792 /nfs/dbraw/zinc/02/17/92/782021792.db2.gz BZJFYYGUGYEACG-NSHDSACASA-N 1 0 310.741 1.805 20 5 DDBDRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000419000367 226002001 /nfs/dbraw/zinc/00/20/01/226002001.db2.gz OGAHVCDWMXBZHS-WDEREUQCSA-N 1 0 319.365 1.362 20 5 DDBDRO Cn1nc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C)CC12CCCCC2 ZINC000360757875 418509180 /nfs/dbraw/zinc/50/91/80/418509180.db2.gz ZECXHVLPWAZXEY-UHFFFAOYSA-N 1 0 321.381 1.419 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)n1 ZINC000191655463 222106296 /nfs/dbraw/zinc/10/62/96/222106296.db2.gz QMPRDMSFWFMXNQ-WDEREUQCSA-N 1 0 309.370 1.414 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CC[N@H+](CC)C[C@@H]2C)n1 ZINC000191633042 222106428 /nfs/dbraw/zinc/10/64/28/222106428.db2.gz YSHDXJJSJXCBME-NWDGAFQWSA-N 1 0 323.397 1.614 20 5 DDBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000291024754 222079569 /nfs/dbraw/zinc/07/95/69/222079569.db2.gz YBZMEVGKVPISBT-JTQLQIEISA-N 1 0 321.381 1.255 20 5 DDBDRO C[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cncc(F)c1 ZINC000361135095 418590334 /nfs/dbraw/zinc/59/03/34/418590334.db2.gz KBTRKXLOZLNOCO-ZANVPECISA-N 1 0 309.301 1.037 20 5 DDBDRO CC1(C)[C@H](O)CC[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000361408637 418645075 /nfs/dbraw/zinc/64/50/75/418645075.db2.gz PLLQRABNSLHNKS-GFCCVEGCSA-N 1 0 318.333 1.990 20 5 DDBDRO CC[NH+](CC)C[C@@H](C)Nc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000341781568 418626324 /nfs/dbraw/zinc/62/63/24/418626324.db2.gz WHQFSCHVIBZIQR-SNVBAGLBSA-N 1 0 319.365 2.386 20 5 DDBDRO CCCCNC(=O)[C@H](C)N1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375399831 418634349 /nfs/dbraw/zinc/63/43/49/418634349.db2.gz AXNSRNNSIYELME-STQMWFEESA-N 1 0 323.397 1.733 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)n1 ZINC000371212642 418768812 /nfs/dbraw/zinc/76/88/12/418768812.db2.gz MDCIAERFIMMAFQ-CQSZACIVSA-N 1 0 319.409 1.514 20 5 DDBDRO [NH3+]C[C@@H]1CCCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000297479486 227222059 /nfs/dbraw/zinc/22/20/59/227222059.db2.gz ZQYSXASMYRLVCT-LBPRGKRZSA-N 1 0 316.361 1.747 20 5 DDBDRO CC[C@](C)([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000411387242 418898603 /nfs/dbraw/zinc/89/86/03/418898603.db2.gz JMKTYCZWEFBMAM-AWEZNQCLSA-N 1 0 308.338 1.167 20 5 DDBDRO Cc1ccc([C@H](C)NC(=O)N2CCO[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000417842964 419350626 /nfs/dbraw/zinc/35/06/26/419350626.db2.gz GRBFIHLMFKQOOL-WCQYABFASA-N 1 0 322.365 1.333 20 5 DDBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000417939755 419401776 /nfs/dbraw/zinc/40/17/76/419401776.db2.gz LAEDYZKGTAFSGV-DZGCQCFKSA-N 1 0 318.377 1.531 20 5 DDBDRO CC[C@H]([NH3+])CNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000417988925 419451112 /nfs/dbraw/zinc/45/11/12/419451112.db2.gz KOLLCPYATQYSEB-NSHDSACASA-N 1 0 314.773 1.827 20 5 DDBDRO Cc1c(CNC(=O)N[C@H]2CC[NH2+][C@H](C)C2)cccc1[N+](=O)[O-] ZINC000418086211 419520436 /nfs/dbraw/zinc/52/04/36/419520436.db2.gz ZHQUEQIELGGMNK-MFKMUULPSA-N 1 0 306.366 1.843 20 5 DDBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@H](CO)[C@@H]2CCCOC2)cc1 ZINC000411997315 419552550 /nfs/dbraw/zinc/55/25/50/419552550.db2.gz UIQMMEHJJDYPAU-IUODEOHRSA-N 1 0 310.350 1.351 20 5 DDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCc3nnnn3CC2)c(Cl)c1 ZINC000421393849 419594886 /nfs/dbraw/zinc/59/48/86/419594886.db2.gz FEEOCXSAEDCMCB-SNVBAGLBSA-N 1 0 322.756 1.729 20 5 DDBDRO COc1cc(C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000421703783 419686700 /nfs/dbraw/zinc/68/67/00/419686700.db2.gz NAJBVFHIGVKWHZ-LBPRGKRZSA-N 1 0 307.350 1.770 20 5 DDBDRO O=C(N[C@@H]1CC[NH2+]C1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000418357755 419738674 /nfs/dbraw/zinc/73/86/74/419738674.db2.gz ZJGWVGNEHPPPDY-GFCCVEGCSA-N 1 0 304.350 1.631 20 5 DDBDRO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000418546140 419869974 /nfs/dbraw/zinc/86/99/74/419869974.db2.gz FDCRDCDEYSESPG-XHDPSFHLSA-N 1 0 318.377 1.803 20 5 DDBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])c(N)c2F)[C@H](C)CN1CCO ZINC000418996943 420041931 /nfs/dbraw/zinc/04/19/31/420041931.db2.gz FSHWWNFVEOOGTB-NXEZZACHSA-N 1 0 312.345 1.207 20 5 DDBDRO COc1ccc(NC(=O)CN(C)CC(C)(C)C[NH3+])c([N+](=O)[O-])c1 ZINC000430550925 420134376 /nfs/dbraw/zinc/13/43/76/420134376.db2.gz PBBYGGOGHFCCOO-UHFFFAOYSA-N 1 0 324.381 1.459 20 5 DDBDRO CNC(=O)c1ccc(NC[C@H]2CCC[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000420290145 420184556 /nfs/dbraw/zinc/18/45/56/420184556.db2.gz UKASCYDFQCQQEO-JQWIXIFHSA-N 1 0 306.366 1.884 20 5 DDBDRO O=C(C[C@H]1C[NH2+]CCO1)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000423834771 420216765 /nfs/dbraw/zinc/21/67/65/420216765.db2.gz CUOKGXZBKCNSOV-NSHDSACASA-N 1 0 313.741 1.243 20 5 DDBDRO Cc1c(NC(=O)[C@H](C)N2CC[C@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000430917292 420203935 /nfs/dbraw/zinc/20/39/35/420203935.db2.gz JMJZLGDZPVYVJC-NWDGAFQWSA-N 1 0 306.366 1.511 20 5 DDBDRO [NH3+][C@H](C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000423826744 420210688 /nfs/dbraw/zinc/21/06/88/420210688.db2.gz MSRWYWCTVDMZOV-HNNXBMFYSA-N 1 0 312.329 1.575 20 5 DDBDRO C[NH2+]C[C@@H]1CCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000430930975 420211562 /nfs/dbraw/zinc/21/15/62/420211562.db2.gz BUMSEVCOLCYLGO-RYUDHWBXSA-N 1 0 306.366 1.463 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430578815 420147226 /nfs/dbraw/zinc/14/72/26/420147226.db2.gz FRQPCJCWWKIWLQ-STQMWFEESA-N 1 0 320.393 1.901 20 5 DDBDRO [NH3+]C[C@H]1CCCN1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000430591913 420151799 /nfs/dbraw/zinc/15/17/99/420151799.db2.gz PBZGJYCCXOYJMN-SNVBAGLBSA-N 1 0 312.757 1.610 20 5 DDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCC[NH2+]CCOC ZINC000415766279 420169052 /nfs/dbraw/zinc/16/90/52/420169052.db2.gz RZOYCSFGDQBTIS-UHFFFAOYSA-N 1 0 310.354 1.515 20 5 DDBDRO CN(C(=O)CN1CCCC[C@H]1C[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000430648486 420170210 /nfs/dbraw/zinc/17/02/10/420170210.db2.gz ZGSBBAFQVGEADH-AWEZNQCLSA-N 1 0 306.366 1.371 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000420261937 420170597 /nfs/dbraw/zinc/17/05/97/420170597.db2.gz QJVUWKONDQILSS-NWDGAFQWSA-N 1 0 305.334 1.427 20 5 DDBDRO [NH3+]CC1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000430656827 420172936 /nfs/dbraw/zinc/17/29/36/420172936.db2.gz VAUFRWBVWBPQPO-UHFFFAOYSA-N 1 0 317.349 1.816 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000420398701 420262266 /nfs/dbraw/zinc/26/22/66/420262266.db2.gz NRFZZOOBTVBRAN-NEPJUHHUSA-N 1 0 306.366 1.524 20 5 DDBDRO [NH3+]CCC[C@H](NC(=O)Cn1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000423967777 420286664 /nfs/dbraw/zinc/28/66/64/420286664.db2.gz JLFZCWHAOWLVIX-ZDUSSCGKSA-N 1 0 317.349 1.388 20 5 DDBDRO C[C@H](CCC[NH3+])NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000420438331 420287464 /nfs/dbraw/zinc/28/74/64/420287464.db2.gz LDQNMJRLWYGFLP-LLVKDONJSA-N 1 0 315.395 1.184 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCC[C@@H]2C[NH3+])c1 ZINC000420469354 420305554 /nfs/dbraw/zinc/30/55/54/420305554.db2.gz YZCGZTRBMZREBO-LLVKDONJSA-N 1 0 313.379 1.323 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[NH2+][C@H](C)[C@H]1C ZINC000436061301 420306194 /nfs/dbraw/zinc/30/61/94/420306194.db2.gz TZAULZILVAXHNZ-VXGBXAGGSA-N 1 0 306.366 1.524 20 5 DDBDRO C[C@@H]1CN(C(=O)CCOc2ccccc2[N+](=O)[O-])C[C@@]1(C)C[NH3+] ZINC000423986503 420291950 /nfs/dbraw/zinc/29/19/50/420291950.db2.gz SZABWKGAXDVLPJ-MLGOLLRUSA-N 1 0 321.377 1.807 20 5 DDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000416494278 420392696 /nfs/dbraw/zinc/39/26/96/420392696.db2.gz IFBPDHFAUPNDBA-NSHDSACASA-N 1 0 313.379 1.133 20 5 DDBDRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000417766895 420473000 /nfs/dbraw/zinc/47/30/00/420473000.db2.gz PSFYILSRVDDIQH-TZMCWYRMSA-N 1 0 320.393 1.954 20 5 DDBDRO COC(=O)CC1(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)CC1 ZINC000440518918 420585258 /nfs/dbraw/zinc/58/52/58/420585258.db2.gz LCHJHRVJBNARTO-UHFFFAOYSA-N 1 0 322.365 1.772 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3ccc([N+](=O)[O-])cc3F)C[C@@H]21 ZINC000452973685 420692379 /nfs/dbraw/zinc/69/23/79/420692379.db2.gz KHZMSAZXLRTBOF-RISCZKNCSA-N 1 0 307.325 1.439 20 5 DDBDRO C[C@@H](CNC(=O)N[C@H]1C[NH2+]CC1(C)C)c1ccccc1[N+](=O)[O-] ZINC001120577585 782033551 /nfs/dbraw/zinc/03/35/51/782033551.db2.gz DWUCNNJPSZHMKX-FZMZJTMJSA-N 1 0 320.393 1.996 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1C[C@H](C[NH3+])C[C@@H]1C ZINC000442791008 420716023 /nfs/dbraw/zinc/71/60/23/420716023.db2.gz MYKHBLNOFQWVGK-RYUDHWBXSA-N 1 0 306.366 1.511 20 5 DDBDRO CN(C)C(=O)CC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447559611 420781378 /nfs/dbraw/zinc/78/13/78/420781378.db2.gz AEKGIIVRQDOAEW-VXGBXAGGSA-N 1 0 309.370 1.343 20 5 DDBDRO O=C(CC[NH2+][C@H](CO)[C@H]1CCCO1)Nc1ccccc1[N+](=O)[O-] ZINC000447907624 420815185 /nfs/dbraw/zinc/81/51/85/420815185.db2.gz ACPKIGSPLXMXES-TZMCWYRMSA-N 1 0 323.349 1.053 20 5 DDBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@H](CO)[C@H]3CCCO3)nc2c1 ZINC000447913606 420816133 /nfs/dbraw/zinc/81/61/33/420816133.db2.gz MXEUZICKIPGJQL-CHWSQXEVSA-N 1 0 306.322 1.101 20 5 DDBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H](CO)[C@@H]2CCCO2)c2c(c1)COCO2 ZINC000447909735 420816678 /nfs/dbraw/zinc/81/66/78/420816678.db2.gz DORQPBMLQXJNAN-KBPBESRZSA-N 1 0 324.333 1.091 20 5 DDBDRO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3C[C@@H](O)[C@H](CO)C3)o2)c1 ZINC000459694208 420849591 /nfs/dbraw/zinc/84/95/91/420849591.db2.gz GDAOKEYKYPTNSD-SWLSCSKDSA-N 1 0 318.329 1.640 20 5 DDBDRO C[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccn(C)n1 ZINC000459791209 420874604 /nfs/dbraw/zinc/87/46/04/420874604.db2.gz STUBKZDVMUGCNV-AAEUAGOBSA-N 1 0 320.349 1.419 20 5 DDBDRO COc1cc(C(=O)NCC[N@H+](C)C(C)C)c([N+](=O)[O-])cc1F ZINC000448982439 420928597 /nfs/dbraw/zinc/92/85/97/420928597.db2.gz XHDBVFXBJKGNDA-UHFFFAOYSA-N 1 0 313.329 1.813 20 5 DDBDRO O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])NCC1CC[NH2+]CC1 ZINC000493802905 420945215 /nfs/dbraw/zinc/94/52/15/420945215.db2.gz LZWMZSAWAMTPBE-DUXPYHPUSA-N 1 0 307.325 1.863 20 5 DDBDRO Cc1ccc(C[NH2+]C[C@H]2CCCN2CCCO)cc1[N+](=O)[O-] ZINC000449387360 421001774 /nfs/dbraw/zinc/00/17/74/421001774.db2.gz LDVDOKAWWRTBAU-OAHLLOKOSA-N 1 0 307.394 1.840 20 5 DDBDRO [NH3+]CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(F)F ZINC000449608051 421037839 /nfs/dbraw/zinc/03/78/39/421037839.db2.gz DQJLBXJXJAFHFD-SECBINFHSA-N 1 0 307.684 1.961 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)C1([NH3+])CCCCC1 ZINC000490041210 421187091 /nfs/dbraw/zinc/18/70/91/421187091.db2.gz ZCBSVGGBQDQMGJ-UHFFFAOYSA-N 1 0 307.350 1.881 20 5 DDBDRO Cc1ccc(C[NH+](C)C)cc1NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000548419937 421435834 /nfs/dbraw/zinc/43/58/34/421435834.db2.gz NXBHLQLVMDMCKE-UHFFFAOYSA-N 1 0 303.322 1.940 20 5 DDBDRO CCOC(=O)N1CC[C@@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000497225043 421391523 /nfs/dbraw/zinc/39/15/23/421391523.db2.gz FVKLVZPPHZBYSY-OCCSQVGLSA-N 1 0 323.349 1.449 20 5 DDBDRO O=C(C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])NCC(F)(F)F ZINC000563419511 421505997 /nfs/dbraw/zinc/50/59/97/421505997.db2.gz VESJBGAMRCZGBL-JTQLQIEISA-N 1 0 317.267 1.850 20 5 DDBDRO C[C@@H]1CC[N@H+](CC(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000553544879 421619384 /nfs/dbraw/zinc/61/93/84/421619384.db2.gz OKQUGQJDPCUPAD-SECBINFHSA-N 1 0 303.322 1.751 20 5 DDBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccnc(NC)c1[N+](=O)[O-] ZINC000569019763 421624412 /nfs/dbraw/zinc/62/44/12/421624412.db2.gz OJJQZOPFZDXZAL-NSHDSACASA-N 1 0 321.381 1.636 20 5 DDBDRO CCC[C@H]1C[NH2+]CCN1C(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000518373212 421650587 /nfs/dbraw/zinc/65/05/87/421650587.db2.gz PMBWTYFYOHQRJG-ZDUSSCGKSA-N 1 0 321.377 1.746 20 5 DDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000571541933 421725500 /nfs/dbraw/zinc/72/55/00/421725500.db2.gz BOJZXXUGUOASSU-LLVKDONJSA-N 1 0 318.377 1.851 20 5 DDBDRO Cn1cc([N+](=O)[O-])c(C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)n1 ZINC000539023426 421746501 /nfs/dbraw/zinc/74/65/01/421746501.db2.gz CZSGZSVCBUALRO-UHFFFAOYSA-N 1 0 309.370 1.275 20 5 DDBDRO CC[NH+](CC)CC[C@H](CO)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000539920953 421756538 /nfs/dbraw/zinc/75/65/38/421756538.db2.gz RVXYEUCLWRDESM-CYBMUJFWSA-N 1 0 309.366 1.417 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@H]2CCCSC2)c1 ZINC000521994881 421809935 /nfs/dbraw/zinc/80/99/35/421809935.db2.gz ITCXUURDEDIJFF-AAEUAGOBSA-N 1 0 312.391 1.820 20 5 DDBDRO C[N@@H+]1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000557334218 421769144 /nfs/dbraw/zinc/76/91/44/421769144.db2.gz DAFPTFBAUJWPAX-AWEZNQCLSA-N 1 0 323.393 1.361 20 5 DDBDRO CC[C@@H]1CN(C)CC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000572395925 421784566 /nfs/dbraw/zinc/78/45/66/421784566.db2.gz OXPXGHVEKIQFEQ-CQSZACIVSA-N 1 0 320.393 1.949 20 5 DDBDRO C[C@@H]1C[C@H](C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@H](C)O1 ZINC000574750512 422171960 /nfs/dbraw/zinc/17/19/60/422171960.db2.gz VMMBVZJAJDSQRP-XJFOESAGSA-N 1 0 324.377 1.738 20 5 DDBDRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000597860962 422392251 /nfs/dbraw/zinc/39/22/51/422392251.db2.gz QJOFBPKBEAYUJV-VIFPVBQESA-N 1 0 307.354 1.175 20 5 DDBDRO CC[C@@H]1C[N@H+](C)CCN1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000578160507 422512192 /nfs/dbraw/zinc/51/21/92/422512192.db2.gz LUMBCZVYLRHWHR-CQSZACIVSA-N 1 0 320.393 1.873 20 5 DDBDRO O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000579116629 422711228 /nfs/dbraw/zinc/71/12/28/422711228.db2.gz APTVHLGXRTVDLT-NSHDSACASA-N 1 0 320.349 1.157 20 5 DDBDRO C[C@@H]1CCCN(C(=O)CCNc2ccccc2[N+](=O)[O-])[C@H]1C[NH3+] ZINC000237491264 263579593 /nfs/dbraw/zinc/57/95/93/263579593.db2.gz CDDWNUGQLQPEGL-DOMZBBRYSA-N 1 0 320.393 1.983 20 5 DDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](C[NH+](C)C)C1 ZINC000246366498 270987845 /nfs/dbraw/zinc/98/78/45/270987845.db2.gz LJYISSVNYGBVAT-OLZOCXBDSA-N 1 0 320.393 1.805 20 5 DDBDRO COC[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1 ZINC000342352628 271385349 /nfs/dbraw/zinc/38/53/49/271385349.db2.gz YIXNLHLQWMXMHC-CQSZACIVSA-N 1 0 308.313 1.908 20 5 DDBDRO COc1cc(C[NH2+]C[C@@](C)(O)C2CC2)c([N+](=O)[O-])cc1OC ZINC000344415050 272019722 /nfs/dbraw/zinc/01/97/22/272019722.db2.gz YRSMGCQDFPGUEX-OAHLLOKOSA-N 1 0 310.350 1.863 20 5 DDBDRO CCc1n[nH]c(C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)c1[N+](=O)[O-] ZINC000344618702 272071999 /nfs/dbraw/zinc/07/19/99/272071999.db2.gz PSFYCCFLWSFHBT-LLVKDONJSA-N 1 0 323.397 1.731 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H](C)C[NH+](C)C ZINC000344873440 272134276 /nfs/dbraw/zinc/13/42/76/272134276.db2.gz AYTJHSWDGBCFDV-SNVBAGLBSA-N 1 0 301.368 1.132 20 5 DDBDRO C[C@H](C[NH+](C)C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000344915875 272139736 /nfs/dbraw/zinc/13/97/36/272139736.db2.gz JCSGPAPEXFFANN-MRVPVSSYSA-N 1 0 321.786 1.477 20 5 DDBDRO CC[N@@H+]1C[C@H](C)N(C(=O)Cn2cc([N+](=O)[O-])nc2C)C[C@@H]1C ZINC000345913768 272363641 /nfs/dbraw/zinc/36/36/41/272363641.db2.gz WANITMJPBZLHSB-QWRGUYRKSA-N 1 0 309.370 1.041 20 5 DDBDRO CC[N@@H+]1C[C@H](C)N(C(=O)COc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000345971486 272379338 /nfs/dbraw/zinc/37/93/38/272379338.db2.gz VEPSMEUYDGFAGB-OLZOCXBDSA-N 1 0 321.377 1.915 20 5 DDBDRO C[C@@H]1CN(c2ccnc3c2cccc3[N+](=O)[O-])CC[N@@H+]1CCO ZINC000432169837 274366220 /nfs/dbraw/zinc/36/62/20/274366220.db2.gz NEYZOLLTTSKBTA-GFCCVEGCSA-N 1 0 316.361 1.646 20 5 DDBDRO CN(CC(C)(C)C[NH3+])C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000262589134 276921984 /nfs/dbraw/zinc/92/19/84/276921984.db2.gz RAACKUIIRJMDPI-UHFFFAOYSA-N 1 0 308.382 1.840 20 5 DDBDRO COC(=O)[C@H]1CN(c2cc(C)ccc2[N+](=O)[O-])CC[N@H+](C)C1 ZINC000413508299 277362858 /nfs/dbraw/zinc/36/28/58/277362858.db2.gz XIOQXUORHFIXGK-GFCCVEGCSA-N 1 0 307.350 1.444 20 5 DDBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CO)c1ccnn1C ZINC000459694555 278236758 /nfs/dbraw/zinc/23/67/58/278236758.db2.gz ABFONGYPVNWSJM-JSGCOSHPSA-N 1 0 318.377 1.973 20 5 DDBDRO [NH3+]CC[C@H](NC(=O)COc1ccccc1[N+](=O)[O-])C(F)F ZINC000449607637 279630505 /nfs/dbraw/zinc/63/05/05/279630505.db2.gz BSURBDVTOJFYTR-QMMMGPOBSA-N 1 0 303.265 1.072 20 5 DDBDRO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000331844019 280191079 /nfs/dbraw/zinc/19/10/79/280191079.db2.gz UKOHBCWNPNSJQR-NWDGAFQWSA-N 1 0 311.725 1.061 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000424019811 280400356 /nfs/dbraw/zinc/40/03/56/280400356.db2.gz KWCXNQNUNYXLET-GFCCVEGCSA-N 1 0 307.350 1.401 20 5 DDBDRO COc1ccc(C[NH2+]CC[C@H](C)[S@](C)=O)cc1[N+](=O)[O-] ZINC000129514691 281347684 /nfs/dbraw/zinc/34/76/84/281347684.db2.gz HZJGSJWQRKMZBR-WVDJIFEKSA-N 1 0 300.380 1.850 20 5 DDBDRO C[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C[C@@H]1CCOC1 ZINC000247019086 282029210 /nfs/dbraw/zinc/02/92/10/282029210.db2.gz LSBBIXZBEFWHTH-GXTWGEPZSA-N 1 0 310.350 1.303 20 5 DDBDRO CCOC(=O)c1cc(C(=O)N[C@@H](C)C[C@H](C)[NH3+])cc([N+](=O)[O-])c1 ZINC000573002332 304569461 /nfs/dbraw/zinc/56/94/61/304569461.db2.gz HTRJMSONFVNSJO-UWVGGRQHSA-N 1 0 323.349 1.627 20 5 DDBDRO COCCO[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000362508952 300081444 /nfs/dbraw/zinc/08/14/44/300081444.db2.gz ZQEHAFUPHCCDMX-HOCLYGCPSA-N 1 0 324.377 1.813 20 5 DDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000363026610 300200481 /nfs/dbraw/zinc/20/04/81/300200481.db2.gz JVZMEJZCHFFVGX-HIFRSBDPSA-N 1 0 303.362 1.880 20 5 DDBDRO COc1ccc(C[NH2+][C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)cc1[N+](=O)[O-] ZINC000363265098 300242047 /nfs/dbraw/zinc/24/20/47/300242047.db2.gz XFCFAMLUBWZXFC-CYZMBNFOSA-N 1 0 319.361 1.702 20 5 DDBDRO C[NH+](C)CCN1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000363486950 300275635 /nfs/dbraw/zinc/27/56/35/300275635.db2.gz WMUWMMDSTMNLJT-UHFFFAOYSA-N 1 0 320.393 1.304 20 5 DDBDRO CC(C)OC(=O)CC[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000364324177 300376210 /nfs/dbraw/zinc/37/62/10/300376210.db2.gz LIWRERDPRKHYBO-LBPRGKRZSA-N 1 0 310.354 1.770 20 5 DDBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N[C@@H]1CC12CC[NH2+]CC2 ZINC000366591485 300721789 /nfs/dbraw/zinc/72/17/89/300721789.db2.gz IAQLESOGKJZBNK-CQSZACIVSA-N 1 0 319.361 1.622 20 5 DDBDRO Nc1ccc([N+](=O)[O-])c(N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c1 ZINC000367164318 300807920 /nfs/dbraw/zinc/80/79/20/300807920.db2.gz HSRWXJGJWICYJI-HIFRSBDPSA-N 1 0 306.366 1.212 20 5 DDBDRO CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000368222504 300980621 /nfs/dbraw/zinc/98/06/21/300980621.db2.gz KUWRLMNWVPIAED-LSDHHAIUSA-N 1 0 305.378 1.888 20 5 DDBDRO CC(C)[N@@H+]1CCO[C@@H](C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000368458389 301032516 /nfs/dbraw/zinc/03/25/16/301032516.db2.gz OBFDXTDCDNPENG-OAHLLOKOSA-N 1 0 321.377 1.363 20 5 DDBDRO CCc1n[nH]c(C(=O)N2CC[C@@H]3CC[N@H+](C)[C@H]3C2)c1[N+](=O)[O-] ZINC000368587548 301058463 /nfs/dbraw/zinc/05/84/63/301058463.db2.gz DACMUPGTYLDVJN-ONGXEEELSA-N 1 0 307.354 1.047 20 5 DDBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N[C@@H]1CC12CC[NH2+]CC2 ZINC000368644914 301067620 /nfs/dbraw/zinc/06/76/20/301067620.db2.gz FFFPIEIVOGYYTI-BOTMBNHJSA-N 1 0 301.346 1.866 20 5 DDBDRO CCC[N@@H+]1CCCN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000369334506 301166946 /nfs/dbraw/zinc/16/69/46/301166946.db2.gz GBDQBFXRUNEDQX-UHFFFAOYSA-N 1 0 309.370 1.126 20 5 DDBDRO C[C@@H]1C[N@@H+](C2CCN(Cc3c([N+](=O)[O-])ncn3C)CC2)CCO1 ZINC000370055776 301267720 /nfs/dbraw/zinc/26/77/20/301267720.db2.gz MYYFBSUGLAEDII-GFCCVEGCSA-N 1 0 323.397 1.013 20 5 DDBDRO COc1cc(C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)ccc1[N+](=O)[O-] ZINC000372913003 301631654 /nfs/dbraw/zinc/63/16/54/301631654.db2.gz ZSCAJTGOTZSQEH-ZYHUDNBSSA-N 1 0 305.334 1.427 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCC([C@@H]2CCOC2)CC1 ZINC000378646470 302348818 /nfs/dbraw/zinc/34/88/18/302348818.db2.gz HAQGBYHUAWWYCE-CQSZACIVSA-N 1 0 321.377 1.505 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@H]([NH3+])[C@@H]1C ZINC000420357717 302384409 /nfs/dbraw/zinc/38/44/09/302384409.db2.gz SPVFOXFEDIOAOP-AAEUAGOBSA-N 1 0 306.366 1.653 20 5 DDBDRO CN(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000519709441 302850265 /nfs/dbraw/zinc/85/02/65/302850265.db2.gz KNLUUAHEWBIASN-JTQLQIEISA-N 1 0 312.757 1.480 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H]1CN(C)CCN1C ZINC000531970540 303268265 /nfs/dbraw/zinc/26/82/65/303268265.db2.gz CRTUHCUNKJGXHM-HIFRSBDPSA-N 1 0 306.410 1.800 20 5 DDBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532143143 303277153 /nfs/dbraw/zinc/27/71/53/303277153.db2.gz ILDQSLNUEIAVRC-LBPRGKRZSA-N 1 0 306.366 1.936 20 5 DDBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC000532311601 303282344 /nfs/dbraw/zinc/28/23/44/303282344.db2.gz AYXOSJNZTDWXIW-LBPRGKRZSA-N 1 0 308.382 1.641 20 5 DDBDRO COc1ccc(CC(=O)N2C[C@H](C)[N@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000534338944 303332040 /nfs/dbraw/zinc/33/20/40/303332040.db2.gz GVUNNXQILANMBS-NWDGAFQWSA-N 1 0 321.377 1.697 20 5 DDBDRO C[N@@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CC1 ZINC000535329640 303346374 /nfs/dbraw/zinc/34/63/74/303346374.db2.gz LCAKEPIYPUUSNZ-UHFFFAOYSA-N 1 0 321.333 1.144 20 5 DDBDRO CC[C@@H](C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000562450076 303863453 /nfs/dbraw/zinc/86/34/53/303863453.db2.gz GWHIGRMNAGMJFQ-BBRMVZONSA-N 1 0 318.377 1.936 20 5 DDBDRO CC(C)[C@H](C)NC(=O)CN1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000373587713 307190898 /nfs/dbraw/zinc/19/08/98/307190898.db2.gz YNTGQCUXBOJRLX-STQMWFEESA-N 1 0 323.397 1.589 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(C)C1(C[NH3+])CCC1 ZINC000395389203 307296184 /nfs/dbraw/zinc/29/61/84/307296184.db2.gz OHMHICPOAHEUOD-UHFFFAOYSA-N 1 0 313.379 1.405 20 5 DDBDRO CO[C@H]1C[C@@H](N(C)CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1 ZINC000510145122 307398813 /nfs/dbraw/zinc/39/88/13/307398813.db2.gz QQZUTWDZULVTBZ-TXEJJXNPSA-N 1 0 307.350 1.951 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000535224299 307654088 /nfs/dbraw/zinc/65/40/88/307654088.db2.gz GOUXTTMFEPXTSA-ZDUSSCGKSA-N 1 0 320.393 1.737 20 5 DDBDRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000565595516 308034199 /nfs/dbraw/zinc/03/41/99/308034199.db2.gz ATHFAAPQVLSFIZ-UFBFGSQYSA-N 1 0 316.317 1.410 20 5 DDBDRO O=C(Cn1ccc([N+](=O)[O-])n1)Nc1cccc2c1CC[NH2+]C2 ZINC000567669090 308088969 /nfs/dbraw/zinc/08/89/69/308088969.db2.gz GWQDSGLJCNVJLC-UHFFFAOYSA-N 1 0 301.306 1.076 20 5 DDBDRO CC[C@@H]1C[N@H+](C)CCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000569805245 308149781 /nfs/dbraw/zinc/14/97/81/308149781.db2.gz QYIGVLBVDZLTKC-CYBMUJFWSA-N 1 0 320.393 1.868 20 5 DDBDRO CSC[C@H](O)C[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000572954370 308228640 /nfs/dbraw/zinc/22/86/40/308228640.db2.gz UWUZZRMKCHTGJQ-GFCCVEGCSA-N 1 0 309.391 1.932 20 5 DDBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@H](CO)[C@H](O)C1 ZINC000574228350 308265822 /nfs/dbraw/zinc/26/58/22/308265822.db2.gz ZBXWQMNEJKGHPQ-IUODEOHRSA-N 1 0 324.377 1.557 20 5 DDBDRO C[NH2+]C[C@@H]1CCN(C(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)C1 ZINC000576038034 308286024 /nfs/dbraw/zinc/28/60/24/308286024.db2.gz ROVKYSCUIWWSQO-JTQLQIEISA-N 1 0 321.333 1.063 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C2CCSCC2)c1 ZINC000576101079 308288174 /nfs/dbraw/zinc/28/81/74/308288174.db2.gz LCTRTGWROWIWJA-CYBMUJFWSA-N 1 0 312.391 1.820 20 5 DDBDRO COCC[NH2+]C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000576117115 308290069 /nfs/dbraw/zinc/29/00/69/308290069.db2.gz KXJNKQAWEVJUDO-UHFFFAOYSA-N 1 0 307.350 1.435 20 5 DDBDRO CCc1ccc(S(=O)(=O)N[C@@H](C)CC[NH3+])cc1[N+](=O)[O-] ZINC000576226723 308298668 /nfs/dbraw/zinc/29/86/68/308298668.db2.gz SZMFFHZEFRSFNU-VIFPVBQESA-N 1 0 301.368 1.173 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CCOC(F)(F)F)c1 ZINC000576816943 308341565 /nfs/dbraw/zinc/34/15/65/308341565.db2.gz QISSUKIHKMNQIQ-JTQLQIEISA-N 1 0 324.255 1.461 20 5 DDBDRO CC[C@H](C)[C@@H](O)C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000577280351 308376457 /nfs/dbraw/zinc/37/64/57/308376457.db2.gz ODXNTWYSVJTGQK-SCRDCRAPSA-N 1 0 312.366 1.331 20 5 DDBDRO CCS(=O)(=O)C[C@H](C)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000579493551 308536645 /nfs/dbraw/zinc/53/66/45/308536645.db2.gz MGRUOAQOXRQWFE-GXFFZTMASA-N 1 0 312.391 1.995 20 5 DDBDRO [NH3+]CC1(C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)CCCC1 ZINC000583317011 337314641 /nfs/dbraw/zinc/31/46/41/337314641.db2.gz JUWAQJWQISVVDK-UHFFFAOYSA-N 1 0 321.381 1.474 20 5 DDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000584607746 337371759 /nfs/dbraw/zinc/37/17/59/337371759.db2.gz HFMLFSRSVJBCSG-HNNXBMFYSA-N 1 0 304.350 1.393 20 5 DDBDRO C[C@H](CCCC[NH3+])NC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000417234962 533840285 /nfs/dbraw/zinc/84/02/85/533840285.db2.gz QSXDOJLCOCQSIV-GFCCVEGCSA-N 1 0 308.382 1.954 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@]1(C)CCO[C@@H]1C ZINC000494242660 534339293 /nfs/dbraw/zinc/33/92/93/534339293.db2.gz URKWBTMLOYZTHN-ABAIWWIYSA-N 1 0 307.350 1.999 20 5 DDBDRO O=C(CNc1ccc([N+](=O)[O-])cn1)NCC[NH+]1CCCCCC1 ZINC000431504411 534600855 /nfs/dbraw/zinc/60/08/55/534600855.db2.gz FIUHTBHLCAYDFE-UHFFFAOYSA-N 1 0 321.381 1.394 20 5 DDBDRO C[NH2+]C[C@@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000156620107 522051120 /nfs/dbraw/zinc/05/11/20/522051120.db2.gz BIILVJPWPJGWRQ-LBPRGKRZSA-N 1 0 313.379 1.276 20 5 DDBDRO Cc1cc(S(=O)(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000156165308 525404869 /nfs/dbraw/zinc/40/48/69/525404869.db2.gz HYHVFASJZKBJSS-QWRGUYRKSA-N 1 0 313.379 1.274 20 5 DDBDRO O=C(Cn1c2ccccc2c(=O)c2ccccc21)N[C@@H]1CC[NH2+]C1 ZINC000126700539 527359504 /nfs/dbraw/zinc/35/95/04/527359504.db2.gz FCCOWDZDORYXJH-CYBMUJFWSA-N 1 0 321.380 1.633 20 5 DDBDRO CC(C)(C(=O)N1CCCO[C@H](C[NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC000424025195 527505492 /nfs/dbraw/zinc/50/54/92/527505492.db2.gz ROPLLTDEEVNEDD-CQSZACIVSA-N 1 0 321.377 1.449 20 5 DDBDRO CC1(CNC(=O)NCCc2ccccc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000417761632 527956730 /nfs/dbraw/zinc/95/67/30/527956730.db2.gz HNBPARSBNIZLRO-UHFFFAOYSA-N 1 0 320.393 1.826 20 5 DDBDRO CCO[C@H]1COCC[C@@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444680053 528064912 /nfs/dbraw/zinc/06/49/12/528064912.db2.gz CXSJKOHIEMCUQN-JSGCOSHPSA-N 1 0 320.349 1.755 20 5 DDBDRO CC[N@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)C1COC1 ZINC000451284648 528475018 /nfs/dbraw/zinc/47/50/18/528475018.db2.gz JWJXFIAYRIROBD-UHFFFAOYSA-N 1 0 321.333 1.614 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000423526037 528692526 /nfs/dbraw/zinc/69/25/26/528692526.db2.gz KWVLYBFPSITKQR-QWRGUYRKSA-N 1 0 307.350 1.803 20 5 DDBDRO CC1(C)CCC[N@H+](CCNc2ncc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000443956867 528938299 /nfs/dbraw/zinc/93/82/99/528938299.db2.gz DOYVDBKEOVXUFJ-UHFFFAOYSA-N 1 0 321.381 1.623 20 5 DDBDRO CC(C)[C@H](CC(F)(F)F)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000445894513 528979043 /nfs/dbraw/zinc/97/90/43/528979043.db2.gz QPKCZVJEWRTREH-MNOVXSKESA-N 1 0 324.303 1.719 20 5 DDBDRO CN(CC[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000736798626 598672913 /nfs/dbraw/zinc/67/29/13/598672913.db2.gz CHRDPRPRJPMAMO-UHFFFAOYSA-N 1 0 317.353 1.307 20 5 DDBDRO CC[NH+]1CCC(Nc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 ZINC000821254304 607164146 /nfs/dbraw/zinc/16/41/46/607164146.db2.gz KYNLHIZTUGSBQY-UHFFFAOYSA-N 1 0 318.341 1.066 20 5 DDBDRO CC(C)[N@H+](C)CCNC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000112928984 696653631 /nfs/dbraw/zinc/65/36/31/696653631.db2.gz BTXKWHGWCMUHTA-UHFFFAOYSA-N 1 0 323.349 1.243 20 5 DDBDRO CCOC(C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)OCC ZINC000124994207 696748195 /nfs/dbraw/zinc/74/81/95/696748195.db2.gz VAUTUHLBYRFDBB-LBPRGKRZSA-N 1 0 324.381 1.875 20 5 DDBDRO O=C1N[C@H]2CC[N@@H+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)C[C@@H]2CO1 ZINC000799179865 700126669 /nfs/dbraw/zinc/12/66/69/700126669.db2.gz ZTBZGQUGFDAXPJ-XBFCOCLRSA-N 1 0 321.333 1.059 20 5 DDBDRO COCC[NH2+]CCNC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000216441910 697753274 /nfs/dbraw/zinc/75/32/74/697753274.db2.gz QASJFQYFIHFFRD-UHFFFAOYSA-N 1 0 301.730 1.214 20 5 DDBDRO CCN(C)C(=O)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000775585125 698011965 /nfs/dbraw/zinc/01/19/65/698011965.db2.gz BRQFNAHNCRFLFD-UHFFFAOYSA-N 1 0 320.393 1.632 20 5 DDBDRO CC(=O)NC1CCC([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000779025134 698391466 /nfs/dbraw/zinc/39/14/66/698391466.db2.gz VWBNGIFQKZZYAN-XUJLQICISA-N 1 0 321.377 1.665 20 5 DDBDRO COC[C@]1(C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)CC[NH2+]C1 ZINC000262471908 698470671 /nfs/dbraw/zinc/47/06/71/698470671.db2.gz JIHNUNULZKXQDC-AWEZNQCLSA-N 1 0 309.322 1.168 20 5 DDBDRO Cn1ccnc1[C@@H](N[C@@H]1CC[N@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000780764750 698558213 /nfs/dbraw/zinc/55/82/13/698558213.db2.gz PVXHBMAJFBIZAR-HIFRSBDPSA-N 1 0 315.377 1.711 20 5 DDBDRO Cn1ccnc1[C@@H](N[C@@H]1CC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000780765200 698558564 /nfs/dbraw/zinc/55/85/64/698558564.db2.gz WYDDVCKNDXLRGL-HIFRSBDPSA-N 1 0 315.377 1.711 20 5 DDBDRO O=C(OCCn1ccc([N+](=O)[O-])n1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000786893830 699177318 /nfs/dbraw/zinc/17/73/18/699177318.db2.gz XKCGNMCHYNBHNW-ZDUSSCGKSA-N 1 0 322.365 1.742 20 5 DDBDRO C[N@H+](CC1CC1)CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000726586342 699369098 /nfs/dbraw/zinc/36/90/98/699369098.db2.gz WLIRFIUHVDDKTJ-UHFFFAOYSA-N 1 0 318.333 1.663 20 5 DDBDRO CC[NH+]1CCC(CNC(=O)c2cc(C)cc([N+](=O)[O-])c2N)CC1 ZINC000729528482 699481621 /nfs/dbraw/zinc/48/16/21/699481621.db2.gz XKLPXJKSFBNOBL-UHFFFAOYSA-N 1 0 320.393 1.947 20 5 DDBDRO CC[NH+]1CCN(CCNC(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000733161034 699581530 /nfs/dbraw/zinc/58/15/30/699581530.db2.gz GULIECCSBDKHIO-UHFFFAOYSA-N 1 0 324.356 1.101 20 5 DDBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000735923202 699710620 /nfs/dbraw/zinc/71/06/20/699710620.db2.gz DDBUKESDZHULRT-GFCCVEGCSA-N 1 0 306.366 1.781 20 5 DDBDRO C[C@]1(C(N)=O)CC[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000794709144 699826256 /nfs/dbraw/zinc/82/62/56/699826256.db2.gz CQBLKGSHFSOTSU-AWEZNQCLSA-N 1 0 303.322 1.099 20 5 DDBDRO COC(=O)[C@H]1[C@@H]2C[N@@H+](CCOc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000794964467 699838119 /nfs/dbraw/zinc/83/81/19/699838119.db2.gz RAZKJEKSQNRBHP-YABSGUDNSA-N 1 0 306.318 1.324 20 5 DDBDRO CC1(C)NC(=O)CC[C@H]1[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000801975367 700361864 /nfs/dbraw/zinc/36/18/64/700361864.db2.gz FTPXRNVVNSNGPA-QWHCGFSZSA-N 1 0 307.350 1.275 20 5 DDBDRO COc1cc(N)c([N+](=O)[O-])cc1C(=O)OCC[NH+]1CCCCC1 ZINC000753458676 700436106 /nfs/dbraw/zinc/43/61/06/700436106.db2.gz WPTMXEJXUAZMQX-UHFFFAOYSA-N 1 0 323.349 1.828 20 5 DDBDRO COC(=O)C[C@]1([NH2+]CCc2ccc([N+](=O)[O-])cc2)CCCOC1 ZINC000770707895 701291289 /nfs/dbraw/zinc/29/12/89/701291289.db2.gz NZDOREDPDZWFGZ-MRXNPFEDSA-N 1 0 322.361 1.839 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H](CCO)C1CC1 ZINC000771806572 701331683 /nfs/dbraw/zinc/33/16/83/701331683.db2.gz XBJPOXDSRSIEBE-LBPRGKRZSA-N 1 0 307.350 1.592 20 5 DDBDRO O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839524541 701723982 /nfs/dbraw/zinc/72/39/82/701723982.db2.gz MBOLJWVVDLJXAC-RRFJBIMHSA-N 1 0 303.362 1.432 20 5 DDBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000839568218 701739357 /nfs/dbraw/zinc/73/93/57/701739357.db2.gz OBYUGTCXURKAEV-SPWCGHHHSA-N 1 0 303.362 1.603 20 5 DDBDRO CC(C)[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C[C@@H]1CCC(=O)N1 ZINC000839671024 701776147 /nfs/dbraw/zinc/77/61/47/701776147.db2.gz XXRQWNAXSOWXOL-DZGCQCFKSA-N 1 0 321.377 1.617 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@@H]2[C@H](O)c2ccccc2)c1 ZINC000879245410 706627588 /nfs/dbraw/zinc/62/75/88/706627588.db2.gz XLWALMHTLCZDBB-HZPDHXFCSA-N 1 0 316.361 1.989 20 5 DDBDRO Cc1nn(CN2CC[C@@]3(C2)CCC[N@@H+](C)C3)c(C)c1[N+](=O)[O-] ZINC000840085367 701959293 /nfs/dbraw/zinc/95/92/93/701959293.db2.gz DATOHZGAJRIAAR-HNNXBMFYSA-N 1 0 307.398 1.783 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000868149071 701965467 /nfs/dbraw/zinc/96/54/67/701965467.db2.gz SWIGQOZYYJLNSN-AAEUAGOBSA-N 1 0 320.349 1.962 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(Cn3ncc4cc([N+](=O)[O-])ccc43)C[C@@H]21 ZINC000840136537 701990502 /nfs/dbraw/zinc/99/05/02/701990502.db2.gz ZSJNZYXXPBBZHX-ABAIWWIYSA-N 1 0 301.350 1.538 20 5 DDBDRO COC(=O)[C@@H]1CN(c2ccc(C)cc2[N+](=O)[O-])CC[N@H+](C)C1 ZINC000840361690 702083766 /nfs/dbraw/zinc/08/37/66/702083766.db2.gz ZKTSIJJHWYKGBP-LBPRGKRZSA-N 1 0 307.350 1.444 20 5 DDBDRO COC(=O)Cc1ccc(N(C)C[C@H]2CCC[N@@H+]2C)c([N+](=O)[O-])c1 ZINC000817131926 702281588 /nfs/dbraw/zinc/28/15/88/702281588.db2.gz VRBFMCINBWHEHF-CYBMUJFWSA-N 1 0 321.377 1.841 20 5 DDBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000817489880 702390661 /nfs/dbraw/zinc/39/06/61/702390661.db2.gz HWTAYIDIUISLHH-LLVKDONJSA-N 1 0 322.321 1.669 20 5 DDBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000817489881 702391336 /nfs/dbraw/zinc/39/13/36/702391336.db2.gz HWTAYIDIUISLHH-NSHDSACASA-N 1 0 322.321 1.669 20 5 DDBDRO C[NH+](C)C1(CNC(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000841452546 702453903 /nfs/dbraw/zinc/45/39/03/702453903.db2.gz CUHBCARZGLTTRW-UHFFFAOYSA-N 1 0 311.313 1.323 20 5 DDBDRO O=C(NC[C@H]1C[NH2+]CCCO1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000817994086 702546099 /nfs/dbraw/zinc/54/60/99/702546099.db2.gz UWMCPCNGRFVGHQ-SNVBAGLBSA-N 1 0 313.741 1.357 20 5 DDBDRO Cc1cc(F)cc(C(=O)N2CCCO[C@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC000818013187 702553859 /nfs/dbraw/zinc/55/38/59/702553859.db2.gz ZCEQIJNMTRCGLJ-LLVKDONJSA-N 1 0 311.313 1.232 20 5 DDBDRO O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000818014974 702554446 /nfs/dbraw/zinc/55/44/46/702554446.db2.gz GMZQZKJTWZZCMJ-AWEZNQCLSA-N 1 0 320.305 1.471 20 5 DDBDRO C[NH2+]CCCN(C)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C ZINC000818015528 702554451 /nfs/dbraw/zinc/55/44/51/702554451.db2.gz ZHWDCMWNUAWVDI-UHFFFAOYSA-N 1 0 310.310 1.493 20 5 DDBDRO C[C@H]1CC2(CN1C(=O)c1cc([N+](=O)[O-])ccc1N)CC[NH2+]CC2 ZINC000818291970 702625083 /nfs/dbraw/zinc/62/50/83/702625083.db2.gz XMSITYHFSJOLTL-NSHDSACASA-N 1 0 318.377 1.781 20 5 DDBDRO C[NH2+]C[C@H](C)c1noc(CCNc2ccccc2[N+](=O)[O-])n1 ZINC000842575783 702735459 /nfs/dbraw/zinc/73/54/59/702735459.db2.gz DOKMDNSVOFTPPF-JTQLQIEISA-N 1 0 305.338 1.955 20 5 DDBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H](C)C[NH3+] ZINC000842786868 702773486 /nfs/dbraw/zinc/77/34/86/702773486.db2.gz GNWBESZCENTMEK-ZETCQYMHSA-N 1 0 321.786 1.430 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@H](C)[C@@H](C)[NH3+])c1 ZINC000842881926 702786519 /nfs/dbraw/zinc/78/65/19/702786519.db2.gz MIRZLFSBRLWYSO-HTQZYQBOSA-N 1 0 321.786 1.571 20 5 DDBDRO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CC[C@@H]([NH3+])C1 ZINC000843345257 702863343 /nfs/dbraw/zinc/86/33/43/702863343.db2.gz OJEODOLGUZGSMP-DTWKUNHWSA-N 1 0 312.757 1.608 20 5 DDBDRO O=C(CCN1CCC[NH2+]CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000843344935 702863455 /nfs/dbraw/zinc/86/34/55/702863455.db2.gz HOFKMTZJGJJBAT-UHFFFAOYSA-N 1 0 310.329 1.358 20 5 DDBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000843837490 702931916 /nfs/dbraw/zinc/93/19/16/702931916.db2.gz OYPYWNVYEXGUFM-CQSZACIVSA-N 1 0 313.329 1.085 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000879564387 706718781 /nfs/dbraw/zinc/71/87/81/706718781.db2.gz ZQNKABISTZYTBL-NWDGAFQWSA-N 1 0 309.391 1.441 20 5 DDBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000866540342 706724524 /nfs/dbraw/zinc/72/45/24/706724524.db2.gz LYAKAWKTDUMUGS-IINYFYTJSA-N 1 0 321.352 1.875 20 5 DDBDRO C[C@H]1CN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)[C@@H](C)C[NH2+]1 ZINC000831546035 706728939 /nfs/dbraw/zinc/72/89/39/706728939.db2.gz HZGXMDVFBXNDEX-QWRGUYRKSA-N 1 0 317.349 1.153 20 5 DDBDRO COCC[NH2+]C1CCN(Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000846222984 703253403 /nfs/dbraw/zinc/25/34/03/703253403.db2.gz MWYKSLPHFBQEAE-UHFFFAOYSA-N 1 0 311.357 1.934 20 5 DDBDRO C[NH+]1CCC(ONC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC000846651402 703308671 /nfs/dbraw/zinc/30/86/71/703308671.db2.gz NBOLEYAESRDXGO-LSDHHAIUSA-N 1 0 319.361 1.840 20 5 DDBDRO Cn1cc([C@@H](O)C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])cn1 ZINC000848527952 703561458 /nfs/dbraw/zinc/56/14/58/703561458.db2.gz AUEMPUAATBJHMB-HIFRSBDPSA-N 1 0 302.334 1.639 20 5 DDBDRO CC(C)Oc1nc(N2CCC([NH3+])(CO)CC2)ccc1[N+](=O)[O-] ZINC000848665076 703573446 /nfs/dbraw/zinc/57/34/46/703573446.db2.gz LIIFFVCPGTXHEC-UHFFFAOYSA-N 1 0 310.354 1.067 20 5 DDBDRO CO[C@H](C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000850484484 703733454 /nfs/dbraw/zinc/73/34/54/703733454.db2.gz JTLDKDORQVEHHP-IFUGULHKSA-N 1 0 309.366 1.879 20 5 DDBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000869801142 703854850 /nfs/dbraw/zinc/85/48/50/703854850.db2.gz FGDYLNBIFMJXDH-SLBVQIDZSA-N 1 0 317.389 1.536 20 5 DDBDRO CC1(C)OC[C@@H](C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)O1 ZINC000851843156 703868682 /nfs/dbraw/zinc/86/86/82/703868682.db2.gz ATWWYMWDOLCOQL-WCQYABFASA-N 1 0 322.365 1.628 20 5 DDBDRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000818563508 703926919 /nfs/dbraw/zinc/92/69/19/703926919.db2.gz NSIPWSVXQJTLRC-QWRGUYRKSA-N 1 0 306.366 1.470 20 5 DDBDRO CN(C(=O)COc1ccc([N+](=O)[O-])c(F)c1)C1(C[NH3+])CCC1 ZINC000818596759 703934323 /nfs/dbraw/zinc/93/43/23/703934323.db2.gz LHHJRPDIXOXGQF-UHFFFAOYSA-N 1 0 311.313 1.453 20 5 DDBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)C[NH2+]C[C@@H]1CCCO1)CC2 ZINC000818608472 703938990 /nfs/dbraw/zinc/93/89/90/703938990.db2.gz FBZZEODRXHJMHC-ZDUSSCGKSA-N 1 0 319.361 1.561 20 5 DDBDRO O=C1CCC2=C(CC[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)C2)N1 ZINC000852298783 704001343 /nfs/dbraw/zinc/00/13/43/704001343.db2.gz HZFSKBDDKVKRFH-UHFFFAOYSA-N 1 0 317.345 1.843 20 5 DDBDRO CCN(CC)C(=O)CCC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818955722 704034048 /nfs/dbraw/zinc/03/40/48/704034048.db2.gz BXMFWQXVQZNRRG-HNNXBMFYSA-N 1 0 323.393 1.866 20 5 DDBDRO C[C@@H](C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)Cn1cccn1 ZINC000818961353 704035534 /nfs/dbraw/zinc/03/55/34/704035534.db2.gz QCYOISGFGGPAQA-WFASDCNBSA-N 1 0 304.350 1.751 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C/C=C/c2ccccc2)c1 ZINC000819061981 704063625 /nfs/dbraw/zinc/06/36/25/704063625.db2.gz ZKHNITIHPAKLPW-NFBGWVBBSA-N 1 0 302.334 1.455 20 5 DDBDRO Cc1cccc(F)c1C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000819113030 704071512 /nfs/dbraw/zinc/07/15/12/704071512.db2.gz KPVUFHPDCCQTOR-GFCCVEGCSA-N 1 0 308.313 1.390 20 5 DDBDRO CN(C)c1cccnc1C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819321864 704107211 /nfs/dbraw/zinc/10/72/11/704107211.db2.gz NYIMBZLIEWSHPD-INIZCTEOSA-N 1 0 316.361 1.879 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H]2CCN(CC(F)F)C2)cc1 ZINC000819378250 704116848 /nfs/dbraw/zinc/11/68/48/704116848.db2.gz XWMUMQGURHXTRV-DGCLKSJQSA-N 1 0 315.320 1.557 20 5 DDBDRO O=C(CC[NH2+]CC1CC1)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000870884974 704157095 /nfs/dbraw/zinc/15/70/95/704157095.db2.gz FUBSLLYKRFKFRY-UHFFFAOYSA-N 1 0 307.350 1.480 20 5 DDBDRO C[NH2+]C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000852921844 704173169 /nfs/dbraw/zinc/17/31/69/704173169.db2.gz SGHOSVMBKWMCCJ-SSDOTTSWSA-N 1 0 310.310 1.458 20 5 DDBDRO CC(C)[NH+]1CCC(CCNC(=O)c2c([N+](=O)[O-])cnn2C)CC1 ZINC000870956954 704181697 /nfs/dbraw/zinc/18/16/97/704181697.db2.gz QULIBDDBHGYWHY-UHFFFAOYSA-N 1 0 323.397 1.569 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H](O)c1ccccn1 ZINC000853099266 704196884 /nfs/dbraw/zinc/19/68/84/704196884.db2.gz PLKOJHLHWCZWDR-AWEZNQCLSA-N 1 0 303.318 1.822 20 5 DDBDRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000855285640 704477258 /nfs/dbraw/zinc/47/72/58/704477258.db2.gz HLZFOLXZGDWMJX-VIFPVBQESA-N 1 0 307.354 1.175 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CC[C@@H]2CC2(Cl)Cl)c1 ZINC000857239726 704568700 /nfs/dbraw/zinc/56/87/00/704568700.db2.gz VMSAKZUMDQZTBK-PSASIEDQSA-N 1 0 323.180 1.326 20 5 DDBDRO [NH3+][C@H](CNC(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000857762942 704621708 /nfs/dbraw/zinc/62/17/08/704621708.db2.gz JHNANNYQNLWRHW-LLVKDONJSA-N 1 0 315.276 1.420 20 5 DDBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857767720 704622825 /nfs/dbraw/zinc/62/28/25/704622825.db2.gz GTEFLOAFKUIWDX-IUCAKERBSA-N 1 0 317.292 1.808 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)c1 ZINC000859888456 705031212 /nfs/dbraw/zinc/03/12/12/705031212.db2.gz CTVTWRWJGBRGTR-DQMOJMCFSA-N 1 0 324.402 1.614 20 5 DDBDRO CC(C)[C@H]1C[N@H+](C)CCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000823179358 705163306 /nfs/dbraw/zinc/16/33/06/705163306.db2.gz MBSPJRJIJYEQHA-HZPDHXFCSA-N 1 0 307.394 1.900 20 5 DDBDRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000874850682 705203412 /nfs/dbraw/zinc/20/34/12/705203412.db2.gz VUUDOEHAABRUPN-LSDHHAIUSA-N 1 0 303.362 1.832 20 5 DDBDRO CC[C@@H]1C[N@H+](C)CCN1C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823933803 705341668 /nfs/dbraw/zinc/34/16/68/705341668.db2.gz WSPGPHDGCGSROW-LLVKDONJSA-N 1 0 307.354 1.735 20 5 DDBDRO C[N@@H+]1CC[C@]2(CCN(C(=O)Nc3ccc(N)c([N+](=O)[O-])c3)C2)C1 ZINC000823933351 705341846 /nfs/dbraw/zinc/34/18/46/705341846.db2.gz PIJNLFMEDBBLBV-HNNXBMFYSA-N 1 0 319.365 1.737 20 5 DDBDRO CC[N@H+](CCNC(=O)Nc1ccc(N)c([N+](=O)[O-])c1)C1CC1 ZINC000823997762 705351170 /nfs/dbraw/zinc/35/11/70/705351170.db2.gz HHAKODTWYJMATJ-UHFFFAOYSA-N 1 0 307.354 1.783 20 5 DDBDRO CC[NH+]1CCC(CNC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000825400556 705662668 /nfs/dbraw/zinc/66/26/68/705662668.db2.gz QLPBUTUTDRFKMY-OAHLLOKOSA-N 1 0 321.377 1.476 20 5 DDBDRO C[C@@H](CNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)[N@H+](C)C1CC1 ZINC000825664406 705710623 /nfs/dbraw/zinc/71/06/23/705710623.db2.gz FAAVRXXHNGPZMH-HZMBPMFUSA-N 1 0 307.350 1.227 20 5 DDBDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825970059 705752944 /nfs/dbraw/zinc/75/29/44/705752944.db2.gz USNJYLOMLVRRAR-SWLSCSKDSA-N 1 0 321.377 1.428 20 5 DDBDRO O=C(/C=C\[C@@H]1CCC[NH2+]C1)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000876563503 705759767 /nfs/dbraw/zinc/75/97/67/705759767.db2.gz JNIBZRKJRNUWNP-SYAFZNNESA-N 1 0 318.377 1.679 20 5 DDBDRO C[N@H+](Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1)CC1(C)COC1 ZINC000863298747 705894656 /nfs/dbraw/zinc/89/46/56/705894656.db2.gz MBSZEHVLAXIYOL-UHFFFAOYSA-N 1 0 317.349 1.779 20 5 DDBDRO C[N@@H+]1CC[C@H]2CN(C(=O)Cc3cccc(F)c3[N+](=O)[O-])CC[C@H]21 ZINC000827234539 705957297 /nfs/dbraw/zinc/95/72/97/705957297.db2.gz YIUJSOWODZCCQP-GXTWGEPZSA-N 1 0 321.352 1.829 20 5 DDBDRO CSC[C@](C)(O)C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877055618 705973373 /nfs/dbraw/zinc/97/33/73/705973373.db2.gz CXKGPVQKQYIUBQ-RTYFJBAXSA-N 1 0 300.384 1.198 20 5 DDBDRO O=[N+]([O-])c1ccccc1CC[NH2+]CC1CCS(=O)(=O)CC1 ZINC000877064708 705975556 /nfs/dbraw/zinc/97/55/56/705975556.db2.gz VNEGDCYDKJDMDK-UHFFFAOYSA-N 1 0 312.391 1.552 20 5 DDBDRO O=[N+]([O-])c1ccc(Cc2noc([C@@H](F)[C@H]3CC[NH2+]C3)n2)nc1 ZINC000863663641 705980612 /nfs/dbraw/zinc/98/06/12/705980612.db2.gz GMYSEWXPBTWAQZ-UFBFGSQYSA-N 1 0 307.285 1.584 20 5 DDBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877278131 706045814 /nfs/dbraw/zinc/04/58/14/706045814.db2.gz LXEYHHJPBMUKHK-GJZGRUSLSA-N 1 0 303.362 1.880 20 5 DDBDRO O=C(COc1ccccc1[N+](=O)[O-])N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877286695 706049026 /nfs/dbraw/zinc/04/90/26/706049026.db2.gz GOLGRZPTFHSDID-VXGBXAGGSA-N 1 0 305.334 1.327 20 5 DDBDRO CN(CCCCCC[NH3+])C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000877441761 706108401 /nfs/dbraw/zinc/10/84/01/706108401.db2.gz QNLNKVWFMMUNCD-UHFFFAOYSA-N 1 0 309.366 1.951 20 5 DDBDRO C[N@@H+]1CC[C@@H]1CN1C(=O)N[C@@](C)(c2cccc([N+](=O)[O-])c2)C1=O ZINC000877875786 706230152 /nfs/dbraw/zinc/23/01/52/706230152.db2.gz RQLYKLFSRBTRLW-DOMZBBRYSA-N 1 0 318.333 1.066 20 5 DDBDRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000880136797 706888079 /nfs/dbraw/zinc/88/80/79/706888079.db2.gz SGDINAJZXIAXOI-XHSDSOJGSA-N 1 0 305.378 1.797 20 5 DDBDRO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000832731420 706971465 /nfs/dbraw/zinc/97/14/65/706971465.db2.gz LCALPLJXDHKBIF-PELKAZGASA-N 1 0 308.294 1.312 20 5 DDBDRO C[C@H]([NH2+]C[C@@H]1CCCCN1CCO)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834850954 707138939 /nfs/dbraw/zinc/13/89/39/707138939.db2.gz RFZKTDLRDVPFTF-JSGCOSHPSA-N 1 0 322.409 1.674 20 5 DDBDRO O=[N+]([O-])c1ccc(F)cc1Cn1cc(C[C@H]2CCC[NH2+]C2)nn1 ZINC000881226648 707158639 /nfs/dbraw/zinc/15/86/39/707158639.db2.gz SWTVZIWGNRRCIL-LLVKDONJSA-N 1 0 319.340 1.916 20 5 DDBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](O)c1ccnn1C ZINC000927131442 712945317 /nfs/dbraw/zinc/94/53/17/712945317.db2.gz IPGPGDJRZJGGNP-BLLLJJGKSA-N 1 0 318.377 1.973 20 5 DDBDRO Cc1c(C[NH2+]C[C@]23COC(=O)N2CCOC3)cccc1[N+](=O)[O-] ZINC000872260522 707352771 /nfs/dbraw/zinc/35/27/71/707352771.db2.gz BIURSYOYHDRSAL-HNNXBMFYSA-N 1 0 321.333 1.214 20 5 DDBDRO Cc1cc(F)cc(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)c1[N+](=O)[O-] ZINC000837307074 707617839 /nfs/dbraw/zinc/61/78/39/707617839.db2.gz XYQCWTAPSBBZGP-QWRGUYRKSA-N 1 0 307.325 1.724 20 5 DDBDRO CC[N@@H+]1CC[C@H]1CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000882483095 707653255 /nfs/dbraw/zinc/65/32/55/707653255.db2.gz QUHQNFUGDKADNU-HNNXBMFYSA-N 1 0 320.393 1.997 20 5 DDBDRO CC(C)[N@@H+]1CCCC[C@@H]1COC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000837478086 707659568 /nfs/dbraw/zinc/65/95/68/707659568.db2.gz SNEBUNMUULEAOB-CYBMUJFWSA-N 1 0 324.381 1.988 20 5 DDBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000882491504 707662416 /nfs/dbraw/zinc/66/24/16/707662416.db2.gz GTOPKTBKRYTEHX-GFCCVEGCSA-N 1 0 307.350 1.492 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC(=O)NCC(F)(F)F ZINC000873015450 707695122 /nfs/dbraw/zinc/69/51/22/707695122.db2.gz LQACMALUWRDYFE-UHFFFAOYSA-N 1 0 319.283 1.980 20 5 DDBDRO CCNC(=O)N1CC[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000873078253 707721429 /nfs/dbraw/zinc/72/14/29/707721429.db2.gz KOCBOLGMRPTDOL-CYBMUJFWSA-N 1 0 306.366 1.797 20 5 DDBDRO O=[N+]([O-])c1c(F)nccc1N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000882728058 707763349 /nfs/dbraw/zinc/76/33/49/707763349.db2.gz MYOCLJGYPHSGQS-LBPRGKRZSA-N 1 0 324.356 1.866 20 5 DDBDRO CCN1CC[C@H]1C[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000883353812 707982917 /nfs/dbraw/zinc/98/29/17/707982917.db2.gz DXMQUAORUMOIJM-DOMZBBRYSA-N 1 0 320.393 1.996 20 5 DDBDRO Cc1c(C(=O)NC(C)(C)C[NH+](C)C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000839441506 708047972 /nfs/dbraw/zinc/04/79/72/708047972.db2.gz OTFQEADVEOJPIJ-UHFFFAOYSA-N 1 0 324.337 1.881 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCCO[C@H](C[NH3+])C2)c1C ZINC000884341866 708254228 /nfs/dbraw/zinc/25/42/28/708254228.db2.gz KPFWSMUHMGMEAS-GFCCVEGCSA-N 1 0 307.350 1.401 20 5 DDBDRO CC1(C)[C@@H]([NH3+])C[C@@H]1NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000884348531 708256661 /nfs/dbraw/zinc/25/66/61/708256661.db2.gz BIRFPWFZCXDYBN-RYUDHWBXSA-N 1 0 309.391 1.929 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)n1 ZINC000897221939 708259592 /nfs/dbraw/zinc/25/95/92/708259592.db2.gz QOMCJTZXKNQCEC-CHWSQXEVSA-N 1 0 306.366 1.334 20 5 DDBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@@H]2CCN2C2CCOCC2)cc1 ZINC000897229714 708262798 /nfs/dbraw/zinc/26/27/98/708262798.db2.gz WENIIUNWGFJRLG-KRWDZBQOSA-N 1 0 319.405 1.980 20 5 DDBDRO CC1(C)CC[N@H+](CCNc2ccc3ncc([N+](=O)[O-])n3n2)C1 ZINC000897249092 708268650 /nfs/dbraw/zinc/26/86/50/708268650.db2.gz LRGXXUHCPBAKCF-UHFFFAOYSA-N 1 0 304.354 1.781 20 5 DDBDRO COCC[C@H]([NH3+])C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000884377903 708270572 /nfs/dbraw/zinc/27/05/72/708270572.db2.gz ZKLOQNHETTUABV-AWEZNQCLSA-N 1 0 307.350 1.450 20 5 DDBDRO C[N@H+](CCO)CCNc1cccc(C(F)(F)F)c1[N+](=O)[O-] ZINC000884826290 708388948 /nfs/dbraw/zinc/38/89/48/708388948.db2.gz VOBJWKJMZNWBEU-UHFFFAOYSA-N 1 0 307.272 1.950 20 5 DDBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCCc1nnnn1C ZINC000898040126 708525884 /nfs/dbraw/zinc/52/58/84/708525884.db2.gz OOSVZLOGMQAGDD-XFXZXTDPSA-N 1 0 316.365 1.744 20 5 DDBDRO C/C(=C/C(=O)N(C)CC[N@H+](C)CCO)c1ccc([N+](=O)[O-])cc1 ZINC000912605268 713045293 /nfs/dbraw/zinc/04/52/93/713045293.db2.gz LBKRBOFWQWUPJC-SEYXRHQNSA-N 1 0 321.377 1.381 20 5 DDBDRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886839265 708858850 /nfs/dbraw/zinc/85/88/50/708858850.db2.gz AIRMYZHHNDIWHG-CABCVRRESA-N 1 0 320.393 1.708 20 5 DDBDRO C[N@@H+]1C[C@@H]2CN(C(=O)[C@H](O)c3cccc([N+](=O)[O-])c3)C[C@]2(C)C1 ZINC000887924531 709165126 /nfs/dbraw/zinc/16/51/26/709165126.db2.gz OSNCCZIYIKOEGD-XPKDYRNWSA-N 1 0 319.361 1.038 20 5 DDBDRO O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912911231 713121492 /nfs/dbraw/zinc/12/14/92/713121492.db2.gz DNMMIEXHODOASG-LLVKDONJSA-N 1 0 314.345 1.996 20 5 DDBDRO CC[N@@H+]1CCCN(C(=O)c2c([N+](=O)[O-])c(C)nn2C)[C@@H](C)C1 ZINC000910286378 709866786 /nfs/dbraw/zinc/86/67/86/709866786.db2.gz AANMWWMHJDDIEK-JTQLQIEISA-N 1 0 309.370 1.193 20 5 DDBDRO COc1c(O)ccc(CN2CC[NH+](C3CC3)CC2)c1[N+](=O)[O-] ZINC000891577620 710239606 /nfs/dbraw/zinc/23/96/06/710239606.db2.gz DEIRGEZNCNFQHX-UHFFFAOYSA-N 1 0 307.350 1.589 20 5 DDBDRO C[C@]1(NC(=O)c2ccc([N+](=O)[O-])cc2F)C[NH+]2CCC1CC2 ZINC000892793205 710500657 /nfs/dbraw/zinc/50/06/57/710500657.db2.gz SOXOBEXHKGPJEO-HNNXBMFYSA-N 1 0 307.325 1.948 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@]1(C)C[NH+]2CCC1CC2 ZINC000892797606 710501576 /nfs/dbraw/zinc/50/15/76/710501576.db2.gz QACURZYKVHTPDZ-MRXNPFEDSA-N 1 0 319.361 1.818 20 5 DDBDRO COc1cc(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000928431803 713192878 /nfs/dbraw/zinc/19/28/78/713192878.db2.gz HAPXCSUVRZWZBK-KCJUWKMLSA-N 1 0 311.313 1.565 20 5 DDBDRO C[C@H]1[C@@H](NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC[N@@H+]1C ZINC000928434472 713194509 /nfs/dbraw/zinc/19/45/09/713194509.db2.gz DZEZKJQHPJYNKJ-WPRPVWTQSA-N 1 0 307.306 1.146 20 5 DDBDRO C[C@@H]1[C@@H](NC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)CC[N@@H+]1C ZINC000928438604 713195854 /nfs/dbraw/zinc/19/58/54/713195854.db2.gz GIDSEGYKKFEHRN-SKDRFNHKSA-N 1 0 324.356 1.622 20 5 DDBDRO O=C(NCC[C@@H]1CC[NH2+]C1)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000911775458 710978625 /nfs/dbraw/zinc/97/86/25/710978625.db2.gz PKKDMABGMAHXBA-GLQYFDAESA-N 1 0 303.362 1.814 20 5 DDBDRO C[NH+]1CCC(N(CCO)C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000911933988 711074830 /nfs/dbraw/zinc/07/48/30/711074830.db2.gz UTEDEVWQPAEBHW-UHFFFAOYSA-N 1 0 307.350 1.124 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@@H]3COCO3)CC2)cc1 ZINC000894876011 711305159 /nfs/dbraw/zinc/30/51/59/711305159.db2.gz LRXUNCKHGJTCFZ-OAHLLOKOSA-N 1 0 307.350 1.526 20 5 DDBDRO COc1c(O)ccc(CN2CCC[C@H]3C[N@H+](C)C[C@H]32)c1[N+](=O)[O-] ZINC000895013940 711368566 /nfs/dbraw/zinc/36/85/66/711368566.db2.gz ZNCWXWGNECFSLB-WCQYABFASA-N 1 0 321.377 1.835 20 5 DDBDRO CCC[C@H]1CN(c2ccc(CC(=O)OC)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000895057589 711391068 /nfs/dbraw/zinc/39/10/68/711391068.db2.gz GKESAMGQORDGFW-ZDUSSCGKSA-N 1 0 321.377 1.889 20 5 DDBDRO CCC[C@H]1CN(c2ccc(C(=O)NC)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000895059032 711391309 /nfs/dbraw/zinc/39/13/09/711391309.db2.gz QQJSHFHAMCYBJD-LBPRGKRZSA-N 1 0 306.366 1.533 20 5 DDBDRO CS(=O)(=O)[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000895688522 711578305 /nfs/dbraw/zinc/57/83/05/711578305.db2.gz MIOUVPBXNQGNTK-MGCOHNPYSA-N 1 0 318.782 1.913 20 5 DDBDRO CC(C)NC(=O)c1ccc(NC[C@@H]2CC[N@@H+]2C)c([N+](=O)[O-])c1 ZINC000895776592 711603970 /nfs/dbraw/zinc/60/39/70/711603970.db2.gz KNLBFGQWGJWFEQ-LBPRGKRZSA-N 1 0 306.366 1.849 20 5 DDBDRO C[N@@H+]1CC[C@@H]1CNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000895776366 711604088 /nfs/dbraw/zinc/60/40/88/711604088.db2.gz HUNLXVVCAHWUHM-GFCCVEGCSA-N 1 0 304.350 1.603 20 5 DDBDRO CC[C@@H](CN1CCOCC1)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000905553707 712075758 /nfs/dbraw/zinc/07/57/58/712075758.db2.gz VOVSYZRLXGMIKI-GOEBONIOSA-N 1 0 323.393 1.329 20 5 DDBDRO Cn1cc(COc2cccc(N3CC[NH2+]CC3)c2)c([N+](=O)[O-])n1 ZINC000905613238 712095441 /nfs/dbraw/zinc/09/54/41/712095441.db2.gz KNYNMAGIQSZBSU-UHFFFAOYSA-N 1 0 317.349 1.317 20 5 DDBDRO C[C@@H](CNC(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2)[NH+](C)C ZINC000906073092 712237861 /nfs/dbraw/zinc/23/78/61/712237861.db2.gz NMPSIJQZFBVKRH-JTQLQIEISA-N 1 0 323.349 1.436 20 5 DDBDRO C[N@@H+]1CC[C@H]1CNC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000913933988 713321858 /nfs/dbraw/zinc/32/18/58/713321858.db2.gz YCFXHZKTPVRYJD-NSHDSACASA-N 1 0 307.354 1.010 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@H]1CC[N@H+](C)[C@H]1C ZINC000914290939 713371503 /nfs/dbraw/zinc/37/15/03/713371503.db2.gz FIQKQXVWVFYDJR-GWCFXTLKSA-N 1 0 322.365 1.495 20 5 DDBDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CC[N+](=O)[O-])C(C)(C)C1 ZINC000930346492 713810071 /nfs/dbraw/zinc/81/00/71/713810071.db2.gz FWPRDKRFGIIOGG-NSHDSACASA-N 1 0 301.387 1.888 20 5 DDBDRO C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@H]1[NH2+]CC[N+](=O)[O-] ZINC000930477342 713844383 /nfs/dbraw/zinc/84/43/83/713844383.db2.gz PGVIPXRROCIAPY-UTUOFQBUSA-N 1 0 301.387 1.887 20 5 DDBDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000930619596 713879122 /nfs/dbraw/zinc/87/91/22/713879122.db2.gz WTVCTQLUOLWRDV-LLVKDONJSA-N 1 0 307.354 1.358 20 5 DDBDRO C[NH+]1C[C@@]2(C)CN(CCn3cc([N+](=O)[O-])ccc3=O)C[C@]2(C)C1 ZINC000931311824 714062358 /nfs/dbraw/zinc/06/23/58/714062358.db2.gz PQEPZGCCPZGLNW-HOTGVXAUSA-N 1 0 320.393 1.030 20 5 DDBDRO C[NH+](C)CC1(O)CCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000931485234 714108860 /nfs/dbraw/zinc/10/88/60/714108860.db2.gz AQBDMTRGRFMMHU-UHFFFAOYSA-N 1 0 311.357 1.622 20 5 DDBDRO O=[N+]([O-])c1ccc(CN2CC[NH+](CCCCCO)CC2)cc1 ZINC000931500948 714113183 /nfs/dbraw/zinc/11/31/83/714113183.db2.gz RXMKDIKJAGYWFB-UHFFFAOYSA-N 1 0 307.394 1.875 20 5 DDBDRO COc1ccc(C[NH2+]CCc2cc(C)n(C)n2)cc1[N+](=O)[O-] ZINC000922687881 714119676 /nfs/dbraw/zinc/11/96/76/714119676.db2.gz IVGULTPEAQNSRQ-UHFFFAOYSA-N 1 0 304.350 1.978 20 5 DDBDRO CC1(C)CNC(=O)[C@H]1[NH2+]CCCOc1ccc([N+](=O)[O-])cc1 ZINC000931651620 714149507 /nfs/dbraw/zinc/14/95/07/714149507.db2.gz IODRHJXYPXHNPT-CYBMUJFWSA-N 1 0 307.350 1.478 20 5 DDBDRO Cc1c(C[NH2+][C@H]2CCc3nnn(C)c3C2)cccc1[N+](=O)[O-] ZINC000922991531 714206220 /nfs/dbraw/zinc/20/62/20/714206220.db2.gz IMMIIBPGXREWGU-LBPRGKRZSA-N 1 0 301.350 1.679 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)COc1ccccc1[N+](=O)[O-] ZINC000923315323 714309028 /nfs/dbraw/zinc/30/90/28/714309028.db2.gz HJNJXAVMBZPZIC-QWHCGFSZSA-N 1 0 319.361 1.669 20 5 DDBDRO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000923329161 714316355 /nfs/dbraw/zinc/31/63/55/714316355.db2.gz GVMSVNPXJLZSSL-HUORLRHWSA-N 1 0 305.378 1.972 20 5 DDBDRO CCC[C@H]1C[NH2+]CCN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000923332543 714318335 /nfs/dbraw/zinc/31/83/35/714318335.db2.gz REABILICTOXDDF-GJZGRUSLSA-N 1 0 323.393 1.408 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000923359564 714326801 /nfs/dbraw/zinc/32/68/01/714326801.db2.gz RXZAGXSIGIZTCF-JGGQBBKZSA-N 1 0 321.377 1.018 20 5 DDBDRO C[C@H]1COC[C@H]1[NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000932493317 714345760 /nfs/dbraw/zinc/34/57/60/714345760.db2.gz DXRNDSHXNVUCPX-GZMMTYOYSA-N 1 0 313.741 1.811 20 5 DDBDRO C[C@@H]1[C@H](C)[NH2+]C[C@H](C)N1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000923435247 714354713 /nfs/dbraw/zinc/35/47/13/714354713.db2.gz GBUDXTPHWARKMV-FQUUOJAGSA-N 1 0 323.393 1.405 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1[C@H](C)C[NH2+][C@H](C)[C@H]1C ZINC000923443373 714357450 /nfs/dbraw/zinc/35/74/50/714357450.db2.gz QUGZMAPDUURDLG-JHJVBQTASA-N 1 0 320.393 1.912 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCC(F)(C2CC2)CC1 ZINC000932626620 714369463 /nfs/dbraw/zinc/36/94/63/714369463.db2.gz LCJUCNLQHIDHIQ-UHFFFAOYSA-N 1 0 309.341 1.971 20 5 DDBDRO CCC1(CC)CNC(=O)[C@@H]1NCc1cc([N+](=O)[O-])ccc1OC ZINC000933281617 714553480 /nfs/dbraw/zinc/55/34/80/714553480.db2.gz HUHKYWINLXBAIS-AWEZNQCLSA-N 1 0 321.377 1.998 20 5 DDBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N1C(=O)N[C@H](C[NH+](C)C)C1=O ZINC000924474624 714590471 /nfs/dbraw/zinc/59/04/71/714590471.db2.gz MMJQGVYNEAVGDW-JOYOIKCWSA-N 1 0 306.322 1.138 20 5 DDBDRO CCOC(=O)[C@@H]1NCC[C@H]1[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000925827289 714945085 /nfs/dbraw/zinc/94/50/85/714945085.db2.gz REGYUECCCZQGQV-LERXQTSPSA-N 1 0 307.350 1.539 20 5 DDBDRO C[C@@H]1C[C@@H]([NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)CCO1 ZINC000957131393 715762493 /nfs/dbraw/zinc/76/24/93/715762493.db2.gz ZWQMZVNLEVZGNJ-OLZOCXBDSA-N 1 0 306.366 1.679 20 5 DDBDRO C[N@@H+]1C[C@@H]2CC[C@@H](Nc3ccc4ncc([N+](=O)[O-])n4n3)[C@@H]2C1 ZINC001120921986 782236795 /nfs/dbraw/zinc/23/67/95/782236795.db2.gz FZYWWZUJUTUFHW-HBNTYKKESA-N 1 0 302.338 1.390 20 5 DDBDRO O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1-n1ccnc1[C@@H]1CCC[NH2+]C1 ZINC001167056590 732364566 /nfs/dbraw/zinc/36/45/66/732364566.db2.gz OMUHHYCDDVKFTC-SECBINFHSA-N 1 0 323.740 1.534 20 5 DDBDRO CC(C)Oc1nc(N2C[C@H]3COC[C@@H](C2)C3[NH3+])ccc1[N+](=O)[O-] ZINC001167186120 732812899 /nfs/dbraw/zinc/81/28/99/732812899.db2.gz AWLMOKDCYVXVQI-BVUQATHDSA-N 1 0 322.365 1.187 20 5 DDBDRO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC001121198266 782405150 /nfs/dbraw/zinc/40/51/50/782405150.db2.gz GKCMRVLRHFYRKH-MELADBBJSA-N 1 0 303.362 1.594 20 5 DDBDRO O=C(N[C@@H]1[C@H]2C[N@H+](CC3=CCCCC3)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025775613 736853555 /nfs/dbraw/zinc/85/35/55/736853555.db2.gz IPBHALIYZDYAOJ-QMIVOQANSA-N 1 0 305.378 1.198 20 5 DDBDRO NC(=[NH2+])c1nccn1-c1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC001168417157 744333836 /nfs/dbraw/zinc/33/38/36/744333836.db2.gz ADFFMMULYUIOCI-UHFFFAOYSA-N 1 0 300.200 1.478 20 5 DDBDRO C[C@H]1[C@H](CO)CC[N@@H+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001193897166 746231101 /nfs/dbraw/zinc/23/11/01/746231101.db2.gz BKEPZGVATJVOPQ-QWRGUYRKSA-N 1 0 318.333 1.848 20 5 DDBDRO Cc1nc(C)c(C(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)o1 ZINC001125208779 749021347 /nfs/dbraw/zinc/02/13/47/749021347.db2.gz LGZMXEVFKZKQKQ-UHFFFAOYSA-N 1 0 324.362 1.781 20 5 DDBDRO Cc1cccnc1C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000996429646 749587922 /nfs/dbraw/zinc/58/79/22/749587922.db2.gz QSWFTKAXNLDXQN-UKRRQHHQSA-N 1 0 318.377 1.136 20 5 DDBDRO CC(C)c1cc(CNc2ncnc(C3C[NH2+]C3)c2[N+](=O)[O-])on1 ZINC001168826811 762056559 /nfs/dbraw/zinc/05/65/59/762056559.db2.gz BVZMKPYPCGLZQY-UHFFFAOYSA-N 1 0 318.337 1.795 20 5 DDBDRO CN(CC[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)C(=O)OC(C)(C)C ZINC001168957445 762153853 /nfs/dbraw/zinc/15/38/53/762153853.db2.gz HLDPHXJEJIATHQ-NWDGAFQWSA-N 1 0 301.387 1.888 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C[C@@H](O)COCc2ccccc2)C1 ZINC001168966620 762157496 /nfs/dbraw/zinc/15/74/96/762157496.db2.gz KBPFBDNEWDNEIK-BZUAXINKSA-N 1 0 308.378 1.599 20 5 DDBDRO CN1C(=O)CCC12CCC([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001168964214 762157584 /nfs/dbraw/zinc/15/75/84/762157584.db2.gz RVLWLJUPWVEYQU-ILTLLKDXSA-N 1 0 309.410 1.955 20 5 DDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2cc(Br)no2)C1 ZINC001168968352 762158567 /nfs/dbraw/zinc/15/85/67/762158567.db2.gz XXMMJJLCUPAXQR-YUMQZZPRSA-N 1 0 304.144 1.972 20 5 DDBDRO [NH3+][C@H]1CC[C@H](N=c2cnccn2[C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168994582 762167697 /nfs/dbraw/zinc/16/76/97/762167697.db2.gz QDYKIXBXLGOURT-AJNGGQMLSA-N 1 0 319.409 1.672 20 5 DDBDRO COC(=O)C[C@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccccn1 ZINC001168996534 762169157 /nfs/dbraw/zinc/16/91/57/762169157.db2.gz VOYNGRVKLICQBV-DYEKYZERSA-N 1 0 307.350 1.721 20 5 DDBDRO COC[C@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)[C@@H](O)c1ccccc1 ZINC001168997273 762169453 /nfs/dbraw/zinc/16/94/53/762169453.db2.gz YLKCOLNWDIJQEK-TUUVXOQKSA-N 1 0 308.378 1.770 20 5 DDBDRO CC(C)(C)OC(=O)[C@H](N)C1C[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169004383 762173653 /nfs/dbraw/zinc/17/36/53/762173653.db2.gz QVSSBOHAVPBVRD-CYZMBNFOSA-N 1 0 313.398 1.033 20 5 DDBDRO O=C1COc2ccc(C[NH2+][C@H]3CC[C@@H](C[N+](=O)[O-])C3)cc2N1 ZINC001169003032 762173168 /nfs/dbraw/zinc/17/31/68/762173168.db2.gz MNNSVTJKPOSIQT-NEPJUHHUSA-N 1 0 305.334 1.553 20 5 DDBDRO 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324.381 1.197 20 5 DDBDRO CCOC(=O)C1C[NH2+]CCC1=Nc1nc([N+](=O)[O-])ccc1OC ZINC001170516268 767741373 /nfs/dbraw/zinc/74/13/73/767741373.db2.gz SQTQLTAHKXBSBM-UHFFFAOYSA-N 1 0 322.321 1.221 20 5 DDBDRO COc1cc([N+](=O)[O-])cnc1NC(=O)COC1CC[NH+](C)CC1 ZINC001132962634 769351173 /nfs/dbraw/zinc/35/11/73/769351173.db2.gz DFXNKIGCNMLEPP-UHFFFAOYSA-N 1 0 324.337 1.048 20 5 DDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@@H]2C[N@@H+](CC3=CCCCC3)C[C@@H]2C1 ZINC001048813113 769931536 /nfs/dbraw/zinc/93/15/36/769931536.db2.gz AGCYXODMANZFKF-QKPAOTATSA-N 1 0 319.405 1.542 20 5 DDBDRO CCc1oncc1C(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001134546389 771045043 /nfs/dbraw/zinc/04/50/43/771045043.db2.gz CGOTZXXAYCADSU-UHFFFAOYSA-N 1 0 318.333 1.665 20 5 DDBDRO C[N@@H+]1CCC[C@H](CNC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)C1 ZINC001145018213 772756165 /nfs/dbraw/zinc/75/61/65/772756165.db2.gz UQIRLYVQLGZYDQ-SSDOTTSWSA-N 1 0 301.734 1.043 20 5 DDBDRO C[NH+](C)C1(C(=O)NCCNc2cccc(F)c2[N+](=O)[O-])CCC1 ZINC001093927969 775220798 /nfs/dbraw/zinc/22/07/98/775220798.db2.gz SIUOPBYSOMYCGD-UHFFFAOYSA-N 1 0 324.356 1.746 20 5 DDBDRO CCN(CCNC(=O)CC[N@H+](C)CC)c1ccc([N+](=O)[O-])cn1 ZINC001100607414 776360034 /nfs/dbraw/zinc/36/00/34/776360034.db2.gz ZGWSSOFJCKNDDO-UHFFFAOYSA-N 1 0 323.397 1.274 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@H](CO)[C@@H]1CCOC1)CC2 ZINC001172901047 776914699 /nfs/dbraw/zinc/91/46/99/776914699.db2.gz FVYKNQMFYWRFEV-BFYDXBDKSA-N 1 0 320.389 1.829 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]C1CN(C3COC3)C1)CC2 ZINC001172908806 776917967 /nfs/dbraw/zinc/91/79/67/776917967.db2.gz ZCLPRVXZUGNMRR-AWEZNQCLSA-N 1 0 317.389 1.515 20 5 DDBDRO CC[NH+](CC)CC(=O)N(C)CCNc1nccc(C)c1[N+](=O)[O-] ZINC001101628345 777322961 /nfs/dbraw/zinc/32/29/61/777322961.db2.gz DBZBQGCEHOVSNA-UHFFFAOYSA-N 1 0 323.397 1.510 20 5 DDBDRO CN(CCNc1ccc([N+](=O)[O-])cc1)C(=O)C1(C[NH+](C)C)CC1 ZINC001101917482 777677103 /nfs/dbraw/zinc/67/71/03/777677103.db2.gz MYEGHLSVZIZZKY-UHFFFAOYSA-N 1 0 320.393 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322.365 1.155 20 5 DDBDRO Cc1ncoc1C(=O)NCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001156228452 862840059 /nfs/dbraw/zinc/84/00/59/862840059.db2.gz XIUWVAMRNQVMJZ-UHFFFAOYSA-N 1 0 324.362 1.862 20 5 DDBDRO C[NH+](C)C[C@@]12C[C@@H]1CN(c1ncnc3cc([N+](=O)[O-])ccc31)C2 ZINC001156384926 862993860 /nfs/dbraw/zinc/99/38/60/862993860.db2.gz CPPWFAWMIQZTRN-BDJLRTHQSA-N 1 0 313.361 1.926 20 5 DDBDRO [NH3+]CC[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC001122295795 858741493 /nfs/dbraw/zinc/74/14/93/858741493.db2.gz MZMGDMKGYBJHEV-KCPJHIHWSA-N 1 0 303.362 1.896 20 5 DDBDRO COCC[C@@H]1C[NH2+]CCN1C(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC001122312050 858749203 /nfs/dbraw/zinc/74/92/03/858749203.db2.gz DZGJTBQFNKKUQM-GFCCVEGCSA-N 1 0 323.349 1.054 20 5 DDBDRO COC[C@@H]1C[NH2+]CCN1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC001122332209 858758646 /nfs/dbraw/zinc/75/86/46/858758646.db2.gz PMERHFNPJQNERC-GBXSZLQWSA-N 1 0 305.334 1.055 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[C@@H]2C[N@@H+](C)C[C@H]12 ZINC001124003005 859519188 /nfs/dbraw/zinc/51/91/88/859519188.db2.gz LTZJFFNLQYMPOH-BYCMXARLSA-N 1 0 303.362 1.973 20 5 DDBDRO Cc1cncc(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001125190466 859915075 /nfs/dbraw/zinc/91/50/75/859915075.db2.gz KIGYLIXNGQYRHZ-UHFFFAOYSA-N 1 0 314.345 1.818 20 5 DDBDRO C[NH+](C)[C@@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])C1CCCCC1 ZINC001141406193 860843312 /nfs/dbraw/zinc/84/33/12/860843312.db2.gz NYZTXIZZWKLUIS-NSHDSACASA-N 1 0 309.370 1.558 20 5 DDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC001325865953 860901563 /nfs/dbraw/zinc/90/15/63/860901563.db2.gz ZKOXUTBAQBAZHI-XHDPSFHLSA-N 1 0 318.377 1.803 20 5 DDBDRO C[C@@H]1CN(c2ccc(-c3ccc(F)c([N+](=O)[O-])c3)nn2)CC[NH2+]1 ZINC001156700728 863272007 /nfs/dbraw/zinc/27/20/07/863272007.db2.gz VBYBOCQZYZEQBN-SNVBAGLBSA-N 1 0 317.324 1.989 20 5 DDBDRO COC(=O)[C@@H](CCC[NH3+])Nc1cnc2cc([N+](=O)[O-])ccc2n1 ZINC001157114998 863591315 /nfs/dbraw/zinc/59/13/15/863591315.db2.gz SHRPXIKICRGNRK-LLVKDONJSA-N 1 0 319.321 1.230 20 5 DDBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1-n1ccc2c1CC[NH2+]C2 ZINC001157449244 863827713 /nfs/dbraw/zinc/82/77/13/863827713.db2.gz JWZGBAIQXWPXOO-UHFFFAOYSA-N 1 0 316.317 1.603 20 5 DDBDRO O=[N+]([O-])c1cccc(N(c2cnccn2)C2CC[NH2+]CC2)n1 ZINC001157537426 863898082 /nfs/dbraw/zinc/89/80/82/863898082.db2.gz IGFRVEOJIMJOBN-UHFFFAOYSA-N 1 0 300.322 1.670 20 5 DDBDRO CCC[NH+]1C[C@H]2CN(c3ncc([N+](=O)[O-])c(OC)n3)C[C@@H]2C1 ZINC001157689356 864049314 /nfs/dbraw/zinc/04/93/14/864049314.db2.gz MRQKFFOHOYPRJR-QWRGUYRKSA-N 1 0 307.354 1.171 20 5 DDBDRO CC(C)c1cccc(C[NH2+]CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 ZINC001157761039 864111561 /nfs/dbraw/zinc/11/15/61/864111561.db2.gz KWHHEPIWIJRKBW-UKRRQHHQSA-N 1 0 320.393 1.466 20 5 DDBDRO COCc1ccc(C[NH2+]CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC001157767298 864118289 /nfs/dbraw/zinc/11/82/89/864118289.db2.gz KYGLKXPIVAAYML-HUUCEWRRSA-N 1 0 321.377 1.094 20 5 DDBDRO C[C@H](CCCC(C)(C)O)Nc1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001157896066 864234007 /nfs/dbraw/zinc/23/40/07/864234007.db2.gz CWBHKCWJOXOFBY-SNVBAGLBSA-N 1 0 323.397 1.813 20 5 DDBDRO COCC(=O)N(CC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC001332675919 866052681 /nfs/dbraw/zinc/05/26/81/866052681.db2.gz GZIHYZNWFNPOAU-UHFFFAOYSA-N 1 0 323.393 1.910 20 5 DDBDRO O=C(NCC1([NH2+]Cc2ccnc(Cl)c2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001323437305 866609938 /nfs/dbraw/zinc/60/99/38/866609938.db2.gz GZTKOKLWWYNTBW-GHMZBOCLSA-N 1 0 324.768 1.139 20 5 DDBDRO COC(=O)COc1c(C)cc(NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC001161673108 866874691 /nfs/dbraw/zinc/87/46/91/866874691.db2.gz YEYCBOWAKROSDI-UHFFFAOYSA-N 1 0 311.338 1.429 20 5 DDBDRO CCC1([NH3+])CCN(C(=O)c2cc(OC)ccc2[N+](=O)[O-])CC1 ZINC001333710590 866955176 /nfs/dbraw/zinc/95/51/76/866955176.db2.gz QWOOALHYUKETGY-UHFFFAOYSA-N 1 0 307.350 1.947 20 5 DDBDRO Cc1nc(Cl)c([N+](=O)[O-])c(NC[C@@H]2CC[NH2+]C[C@@H]2F)n1 ZINC001162802211 867834687 /nfs/dbraw/zinc/83/46/87/867834687.db2.gz PBAKNOHVQIMLGO-YUMQZZPRSA-N 1 0 303.725 1.706 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(NCc2nnn3c2C[NH2+]CCC3)c1F ZINC001162979259 867969628 /nfs/dbraw/zinc/96/96/28/867969628.db2.gz MKCJROHPJIIOIG-UHFFFAOYSA-N 1 0 320.328 1.739 20 5 DDBDRO O=[N+]([O-])c1c(N[C@H]2COCCC23C[NH2+]C3)ccc2cnccc21 ZINC001163079612 868063718 /nfs/dbraw/zinc/06/37/18/868063718.db2.gz OROVUUAMADGOBQ-AWEZNQCLSA-N 1 0 314.345 1.933 20 5 DDBDRO CN1Cc2cc(N[C@H]3COCCC34C[NH2+]C4)cc([N+](=O)[O-])c2N1 ZINC001163081432 868066628 /nfs/dbraw/zinc/06/66/28/868066628.db2.gz LOJYNDSQVMAIPP-ZDUSSCGKSA-N 1 0 319.365 1.158 20 5 DDBDRO CN(C)c1ccc(NC[C@]23C[NH2+]C[C@H]2COC3)c([N+](=O)[O-])c1 ZINC001163158508 868171522 /nfs/dbraw/zinc/17/15/22/868171522.db2.gz MJWWKLAAIYPQGI-NHYWBVRUSA-N 1 0 306.366 1.309 20 5 DDBDRO O=[N+]([O-])c1cncc(Cl)c1NC[C@H]1OC[C@H]2C[NH2+]CC[C@H]21 ZINC001163169904 868182001 /nfs/dbraw/zinc/18/20/01/868182001.db2.gz AOKMGLBTSVPONL-KBVBSXBZSA-N 1 0 312.757 1.102 20 5 DDBDRO COc1ccc(C[NH2+]CCCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC001322505772 868209203 /nfs/dbraw/zinc/20/92/03/868209203.db2.gz QQTPMPOAYRHYIH-HUUCEWRRSA-N 1 0 321.377 1.299 20 5 DDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC001322508683 868211320 /nfs/dbraw/zinc/21/13/20/868211320.db2.gz DSCBPRSDGRWPMN-MEBBXXQBSA-N 1 0 318.377 1.849 20 5 DDBDRO COCCN1CCC[C@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001335345568 868240596 /nfs/dbraw/zinc/24/05/96/868240596.db2.gz NELKGXZZKHKZQJ-HOCLYGCPSA-N 1 0 323.393 1.329 20 5 DDBDRO O=C1C[C@@H]2[NH2+]CC[C@@]2(Nc2cc(Cl)ccc2/C=C/[N+](=O)[O-])N1 ZINC001163253616 868263997 /nfs/dbraw/zinc/26/39/97/868263997.db2.gz LZBGJCLZXBXTFB-CZOIOIDKSA-N 1 0 322.752 1.577 20 5 DDBDRO COc1cc([N+](=O)[O-])cnc1NC[C@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001163269135 868285588 /nfs/dbraw/zinc/28/55/88/868285588.db2.gz WOOTZIFTYBIKPV-NHYWBVRUSA-N 1 0 322.365 1.569 20 5 DDBDRO COc1cccc([C@H](C[NH3+])Nc2ncc([N+](=O)[O-])c(OC)n2)c1 ZINC001163303440 868326852 /nfs/dbraw/zinc/32/68/52/868326852.db2.gz LSQMCQISJLVUIX-NSHDSACASA-N 1 0 319.321 1.514 20 5 DDBDRO O=[N+]([O-])c1c[nH]c2nc(N[C@H]3CCO[C@]4(CC[NH2+]C4)C3)ccc12 ZINC001163305039 868328765 /nfs/dbraw/zinc/32/87/65/868328765.db2.gz KZPUMSNGKVGWIQ-ZUZCIYMTSA-N 1 0 317.349 1.794 20 5 DDBDRO COc1ccnc(N[C@@H]2CCO[C@]3(CC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC001163304315 868329931 /nfs/dbraw/zinc/32/99/31/868329931.db2.gz HOBJXCJTWIJYPH-QMTHXVAHSA-N 1 0 308.338 1.321 20 5 DDBDRO O=[N+]([O-])c1c[nH]c2ncnc(N[C@H]3CCO[C@@]4(CC[NH2+]C4)C3)c12 ZINC001163310743 868338677 /nfs/dbraw/zinc/33/86/77/868338677.db2.gz ORFXEVMWJGJYLN-XPTSAGLGSA-N 1 0 318.337 1.189 20 5 DDBDRO O=[N+]([O-])c1c[nH]c2ncnc(N[C@@H]3CCO[C@]4(CC[NH2+]C4)C3)c12 ZINC001163310744 868338846 /nfs/dbraw/zinc/33/88/46/868338846.db2.gz ORFXEVMWJGJYLN-YMTOWFKASA-N 1 0 318.337 1.189 20 5 DDBDRO C[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCCC1 ZINC001335501939 868344880 /nfs/dbraw/zinc/34/48/80/868344880.db2.gz VLZSFJUJEVLYGU-SMDDNHRTSA-N 1 0 307.350 1.229 20 5 DDBDRO COc1cccc(N[C@H]2CCO[C@@]3(CC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC001163322065 868348911 /nfs/dbraw/zinc/34/89/11/868348911.db2.gz GKOYMLPRLQNSEM-NHYWBVRUSA-N 1 0 307.350 1.926 20 5 DDBDRO C[C@@H](CNC(=O)N1CC[NH2+][C@@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC001335681512 868475166 /nfs/dbraw/zinc/47/51/66/868475166.db2.gz UDGCXTRTYBJJQQ-RYUDHWBXSA-N 1 0 306.366 1.702 20 5 DDBDRO CCOC(=O)c1cn(-c2nccc(C)c2[N+](=O)[O-])nc1C[NH3+] ZINC001163520860 868502563 /nfs/dbraw/zinc/50/25/63/868502563.db2.gz TZUGWKFCWINFAU-UHFFFAOYSA-N 1 0 305.294 1.119 20 5 DDBDRO Cc1n[nH]cc1C(=O)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001163661593 868601539 /nfs/dbraw/zinc/60/15/39/868601539.db2.gz ZGKUBRFZBQJEPM-UHFFFAOYSA-N 1 0 317.349 1.536 20 5 DDBDRO C[NH2+]C1CN(c2ccc(-c3ccc(F)c([N+](=O)[O-])c3)nn2)C1 ZINC001163706067 868642747 /nfs/dbraw/zinc/64/27/47/868642747.db2.gz UKAKUUSOELCTDB-UHFFFAOYSA-N 1 0 303.297 1.599 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H]1COC[C@H]1C1CC1 ZINC001336067224 868711416 /nfs/dbraw/zinc/71/14/16/868711416.db2.gz SAZWLKJOXMEKBU-RDBSUJKOSA-N 1 0 322.361 1.349 20 5 DDBDRO C[NH+](C)C1CN(C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)C1 ZINC001163933250 868803276 /nfs/dbraw/zinc/80/32/76/868803276.db2.gz AQMJOEDRCBQXOS-UHFFFAOYSA-N 1 0 306.700 1.938 20 5 DDBDRO COC(=O)Cc1ccc(-n2nc(C[NH3+])cc2C)cc1[N+](=O)[O-] ZINC001163985787 868847117 /nfs/dbraw/zinc/84/71/17/868847117.db2.gz CCSVISJKLIMUSN-UHFFFAOYSA-N 1 0 304.306 1.263 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@H](C)CC[C@@H]1C[NH3+] ZINC001164061686 868920832 /nfs/dbraw/zinc/92/08/32/868920832.db2.gz GUQPXEMAGBZVNJ-NXEZZACHSA-N 1 0 308.338 1.340 20 5 DDBDRO C=C/C(C)=C/CC(=O)NCCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001164148183 868973136 /nfs/dbraw/zinc/97/31/36/868973136.db2.gz KUCMLLFYKKSJDU-WUXMJOGZSA-N 1 0 321.381 1.447 20 5 DDBDRO COc1ccnc(NCC2([NH+](C)C)CCN(C)CC2)c1[N+](=O)[O-] ZINC001164206993 869013640 /nfs/dbraw/zinc/01/36/40/869013640.db2.gz OYELXHSGAFMNOC-UHFFFAOYSA-N 1 0 323.397 1.436 20 5 DDBDRO CCN1CCC[C@@H]1C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC001336997794 869251152 /nfs/dbraw/zinc/25/11/52/869251152.db2.gz MNKJEBAZDVZZEZ-CABCVRRESA-N 1 0 323.393 1.408 20 5 DDBDRO Cc1cc(OCC(=O)N[C@H]2C[NH+]3CCC2CC3)ccc1[N+](=O)[O-] ZINC001337315045 869431996 /nfs/dbraw/zinc/43/19/96/869431996.db2.gz BIHDGTLWNVAVED-AWEZNQCLSA-N 1 0 319.361 1.492 20 5 DDBDRO Cc1ccc(-c2ccc(N3C[C@@H]4C[C@]4([NH3+])C3)nn2)cc1[N+](=O)[O-] ZINC001165313980 869513698 /nfs/dbraw/zinc/51/36/98/869513698.db2.gz JNWMMYODCMQUAD-LRDDRELGSA-N 1 0 311.345 1.898 20 5 DDBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N2CCC[C@@H]3[NH2+]C[C@@H]32)n1 ZINC001165386939 869559160 /nfs/dbraw/zinc/55/91/60/869559160.db2.gz GGTWWVPACWVZAV-BQBZGAKWSA-N 1 0 315.786 1.701 20 5 DDBDRO O=[N+]([O-])c1c[nH]c2ccc(N3CCC(C4C[NH2+]C4)CC3)nc21 ZINC001165409342 869574766 /nfs/dbraw/zinc/57/47/66/869574766.db2.gz DAROLKJPRYEEIB-UHFFFAOYSA-N 1 0 301.350 1.907 20 5 DDBDRO C[N@@H+]1C[C@@H]2CC[C@H](Nc3nc4ccccn4c3[N+](=O)[O-])[C@@H]2C1 ZINC001338161461 869841399 /nfs/dbraw/zinc/84/13/99/869841399.db2.gz CNOLYLVQGTYZJV-TUAOUCFPSA-N 1 0 301.350 1.995 20 5 DDBDRO CC(C)[NH+]1CCC(CNc2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC001166594485 870086545 /nfs/dbraw/zinc/08/65/45/870086545.db2.gz PWXYMYXVSWHCEW-UHFFFAOYSA-N 1 0 321.381 1.621 20 5 DDBDRO CCn1c(CCC[N+](=O)[O-])nnc1N(C)CC[NH+]1CCCCC1 ZINC001339235660 870415395 /nfs/dbraw/zinc/41/53/95/870415395.db2.gz WXQJCVAMIIHGBP-UHFFFAOYSA-N 1 0 324.429 1.429 20 5 DDBDRO CN(c1ccc(-c2ccc(F)c([N+](=O)[O-])c2)nn1)C1C[NH2+]C1 ZINC001166982767 870449568 /nfs/dbraw/zinc/44/95/68/870449568.db2.gz OACFRHGVPDBUNT-UHFFFAOYSA-N 1 0 303.297 1.599 20 5 DDBDRO Cn1nccc1C(=O)NCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001317440444 870839802 /nfs/dbraw/zinc/83/98/02/870839802.db2.gz DDERHWWRSQFCEU-UHFFFAOYSA-N 1 0 317.349 1.190 20 5 DDBDRO CC[N@H+](C)[C@@H]1CCN(C(=O)c2cc(OC)ccc2[N+](=O)[O-])C1 ZINC001306055476 871318487 /nfs/dbraw/zinc/31/84/87/871318487.db2.gz FWCCERMIFNZKCF-LLVKDONJSA-N 1 0 307.350 1.770 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CC[C@H](c3ncccn3)C2)cc1 ZINC001308111074 871472032 /nfs/dbraw/zinc/47/20/32/871472032.db2.gz BMDWUSCEEIVSQE-ZFWWWQNUSA-N 1 0 314.345 1.908 20 5 DDBDRO O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CCC2(C[NH2+]C2)CC1 ZINC001341320208 871604895 /nfs/dbraw/zinc/60/48/95/871604895.db2.gz YQSHFEYNZJJGFY-UHFFFAOYSA-N 1 0 319.317 1.149 20 5 DDBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC001341560839 871713339 /nfs/dbraw/zinc/71/33/39/871713339.db2.gz FHFKFGZTLSHNBV-DCAQKATOSA-N 1 0 309.391 1.929 20 5 DDBDRO O=C(N[C@@H]1CCC[NH2+]CC1)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001341766304 871814462 /nfs/dbraw/zinc/81/44/62/871814462.db2.gz NLGWQZGGZKIBGT-YUELXQCFSA-N 1 0 303.362 1.957 20 5 DDBDRO COc1c(O)ccc(C[NH2+]CCO[C@H]2CCOC2)c1[N+](=O)[O-] ZINC001474720406 871973168 /nfs/dbraw/zinc/97/31/68/871973168.db2.gz SXMVPLOYPRWBEM-NSHDSACASA-N 1 0 312.322 1.204 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]([NH2+]CCO)C2)c1C ZINC001342335039 872153844 /nfs/dbraw/zinc/15/38/44/872153844.db2.gz WOPIANLXFHWCAA-CYBMUJFWSA-N 1 0 321.377 1.398 20 5 DDBDRO CC(C)(C)[NH2+]CC(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC001318607190 872165487 /nfs/dbraw/zinc/16/54/87/872165487.db2.gz RGKLKSQWVSUFGT-NSHDSACASA-N 1 0 321.381 1.391 20 5 DDBDRO [NH3+][C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)CC[C@@H]1C(F)(F)F ZINC001342490833 872235363 /nfs/dbraw/zinc/23/53/63/872235363.db2.gz ASOLXJGDQBRGIO-WDEREUQCSA-N 1 0 317.267 1.947 20 5 DDBDRO C[N@H+]1C[C@H]2CN(C(=O)NCCc3ccc([N+](=O)[O-])cc3)C[C@H]2C1 ZINC001342865378 872418523 /nfs/dbraw/zinc/41/85/23/872418523.db2.gz ZYRPYLHEFVJZQU-OKILXGFUSA-N 1 0 318.377 1.340 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC(OC2C[NH2+]C2)CC1 ZINC001343255689 872553832 /nfs/dbraw/zinc/55/38/32/872553832.db2.gz OKSMPLUOFNCBFS-UHFFFAOYSA-N 1 0 319.361 1.496 20 5 DDBDRO CN1CCO[C@@H](COc2ncnc3cc(F)c([N+](=O)[O-])cc32)C1 ZINC001226808742 882666078 /nfs/dbraw/zinc/66/60/78/882666078.db2.gz XZAQVYTVYFHQQP-SECBINFHSA-N 1 0 322.296 1.387 20 5 DDBDRO CN(CC(=O)N1CC[C@H](CC[NH3+])C1)c1ccccc1[N+](=O)[O-] ZINC001344999207 873214325 /nfs/dbraw/zinc/21/43/25/873214325.db2.gz NMRSSRDOMOJPIY-LBPRGKRZSA-N 1 0 306.366 1.228 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCCC[C@@]12CCC[NH2+]C2 ZINC001346505708 873781386 /nfs/dbraw/zinc/78/13/86/873781386.db2.gz RKJIYFWAWDCUDR-HNNXBMFYSA-N 1 0 306.366 1.682 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NCC12CCC[NH+](CCC1)C2 ZINC001347353037 874107527 /nfs/dbraw/zinc/10/75/27/874107527.db2.gz UIUFRUPPBQQSGX-UHFFFAOYSA-N 1 0 318.377 1.904 20 5 DDBDRO O=[N+]([O-])c1cnc(OC2CC[NH+](C3CC3)CC2)c([N+](=O)[O-])c1 ZINC001227107780 882836164 /nfs/dbraw/zinc/83/61/64/882836164.db2.gz GYIANERCZRUHII-UHFFFAOYSA-N 1 0 308.294 1.904 20 5 DDBDRO Cc1cncc([N+](=O)[O-])c1N1CCO[C@H](CCC[NH+](C)C)C1 ZINC001350513849 875738796 /nfs/dbraw/zinc/73/87/96/875738796.db2.gz HGOIHHJGXWHQDY-CYBMUJFWSA-N 1 0 308.382 1.845 20 5 DDBDRO Cc1ccc(C(=O)N2CC[C@@](O)(C[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC001352535519 876797147 /nfs/dbraw/zinc/79/71/47/876797147.db2.gz CGUCHLLUNOUSLM-OAHLLOKOSA-N 1 0 307.350 1.042 20 5 DDBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)[C@]12CC[C@H]1C[NH2+]C2 ZINC001353325409 877256767 /nfs/dbraw/zinc/25/67/67/877256767.db2.gz OQYPKHDBLGSHSU-NHYWBVRUSA-N 1 0 305.334 1.089 20 5 DDBDRO C[NH2+]C[C@H](O)CN(C)C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC001354460899 877996445 /nfs/dbraw/zinc/99/64/45/877996445.db2.gz CRQLTWOSMCTWBP-ZDUSSCGKSA-N 1 0 317.345 1.400 20 5 DDBDRO CON(C)CCC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001357240724 879874863 /nfs/dbraw/zinc/87/48/63/879874863.db2.gz CYCJHCPZVWZVOG-UHFFFAOYSA-N 1 0 310.354 1.396 20 5 DDBDRO O=C(c1ccccc1[N+](=O)[O-])N1CCC2(CC1)C[NH2+]CCO2 ZINC001358307371 880396838 /nfs/dbraw/zinc/39/68/38/880396838.db2.gz UDUHHKTULOVBAI-UHFFFAOYSA-N 1 0 305.334 1.189 20 5 DDBDRO COC(=O)[C@@H](O[C@H]1CCC[N@H+](C)C1)c1ccccc1[N+](=O)[O-] ZINC001223644522 881039112 /nfs/dbraw/zinc/03/91/12/881039112.db2.gz VHJWCLKWPXEDKR-FZMZJTMJSA-N 1 0 308.334 1.920 20 5 DDBDRO C[C@H](C[N+](C)(C)C)Oc1ncc(I)cn1 ZINC001227978009 883265475 /nfs/dbraw/zinc/26/54/75/883265475.db2.gz YAZVFQXCPONQND-MRVPVSSYSA-N 1 0 322.170 1.555 20 5 DDBDRO O=[N+]([O-])c1cncnc1O[C@H]1CC[C@H]([NH+]2CCOCC2)CC1 ZINC001228655621 883599142 /nfs/dbraw/zinc/59/91/42/883599142.db2.gz TVDATTVUZULKAJ-HAQNSBGRSA-N 1 0 308.338 1.407 20 5 DDBDRO COC(=O)c1ccc(O[C@@H](C)C[N+](C)(C)C)cc1C(=O)OC ZINC001230903855 885031324 /nfs/dbraw/zinc/03/13/24/885031324.db2.gz JSFRHUZLZJPEOH-NSHDSACASA-N 1 0 310.370 1.733 20 5 DDBDRO OC[C@H]1C[N@H+](Cc2ccc3ccc4cccnc4c3n2)CC[C@@H]1O ZINC001232218319 886166608 /nfs/dbraw/zinc/16/66/08/886166608.db2.gz FUPHJKIPJQJFDN-WBVHZDCISA-N 1 0 323.396 1.958 20 5 DDBDRO COC(=O)c1ccc2ncnc(O[C@@H](C)C[N+](C)(C)C)c2c1 ZINC001233898958 887440961 /nfs/dbraw/zinc/44/09/61/887440961.db2.gz AAVJOABUKHXOSK-NSHDSACASA-N 1 0 304.370 1.890 20 5 DDBDRO C[N@@H+]1CC[C@@H](Oc2cc(N3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC001234363077 887907131 /nfs/dbraw/zinc/90/71/31/887907131.db2.gz XGEBWMVCIITNMU-CYBMUJFWSA-N 1 0 307.350 1.514 20 5 DDBDRO CC[N@H+](CCC(N)=O)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254478593 896456280 /nfs/dbraw/zinc/45/62/80/896456280.db2.gz HHEQQMKLDVMYSC-UHFFFAOYSA-N 1 0 320.393 1.761 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@](C)(CO)[C@H](O)C1 ZINC001254553297 896498775 /nfs/dbraw/zinc/49/87/75/896498775.db2.gz UQIKMOKMRJMVPR-WQVCFCJDSA-N 1 0 308.378 1.591 20 5 DDBDRO [NH2+]=C(N[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)n1nnc2ccccc21 ZINC001254597302 896524516 /nfs/dbraw/zinc/52/45/16/896524516.db2.gz HANYESSFFVVYHQ-GFCCVEGCSA-N 1 0 322.328 1.879 20 5 DDBDRO C[C@H]([NH2+]CCN1CCC(CO)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC001261239879 899433466 /nfs/dbraw/zinc/43/34/66/899433466.db2.gz DBHUTVFERMWRMW-LBPRGKRZSA-N 1 0 322.409 1.532 20 5 DDBDRO Nc1cc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)ncc1[N+](=O)[O-] ZINC001262694824 900313463 /nfs/dbraw/zinc/31/34/63/900313463.db2.gz HKHHOXQPFASGNB-LBPRGKRZSA-N 1 0 321.381 1.121 20 5 DDBDRO CC[N@@H+]1CCN(c2nnc([C@H](C)[N+](=O)[O-])n2CC(C)C)C[C@H]1C ZINC001263415596 900605054 /nfs/dbraw/zinc/60/50/54/900605054.db2.gz HFMFGEIQCCKOEG-OLZOCXBDSA-N 1 0 324.429 1.802 20 5 DDBDRO O=C(N[C@H]1C[C@@H]([NH2+]CC=C(Cl)Cl)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001265538995 902112389 /nfs/dbraw/zinc/11/23/89/902112389.db2.gz TXXVVFXQZVIKSO-BZNPZCIMSA-N 1 0 308.165 1.207 20 5 DDBDRO COC[C@]1(CO)CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000449696756 230634130 /nfs/dbraw/zinc/63/41/30/230634130.db2.gz LDYWPVXYQBURSA-MQDFFIGUSA-N 1 0 306.362 1.939 20 5 DDBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]CC1(CCO)CC1)OCCO2 ZINC000614587615 361932102 /nfs/dbraw/zinc/93/21/02/361932102.db2.gz LZTJZCGVHQDHTM-UHFFFAOYSA-N 1 0 308.334 1.618 20 5 DDBDRO C[C@H]([NH2+][C@H]1COCC1(C)C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000451807285 231199321 /nfs/dbraw/zinc/19/93/21/231199321.db2.gz GPHIZSWFNGDIKB-GWCFXTLKSA-N 1 0 307.350 1.936 20 5 DDBDRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)c1cccc([N+](=O)[O-])c1 ZINC000452343743 231352622 /nfs/dbraw/zinc/35/26/22/231352622.db2.gz BPJNGAHNVUZXLA-AWEZNQCLSA-N 1 0 307.350 1.171 20 5 DDBDRO COc1cc(CN2CC[N@H+](CCO)C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000614923431 362079464 /nfs/dbraw/zinc/07/94/64/362079464.db2.gz LKTDBKAZOAFGMS-UHFFFAOYSA-N 1 0 323.393 1.492 20 5 DDBDRO C[NH2+]C[C@H]1CCCN1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000430572867 530003268 /nfs/dbraw/zinc/00/32/68/530003268.db2.gz PEBJDEMWRACDSD-CYBMUJFWSA-N 1 0 306.366 1.526 20 5 DDBDRO Cc1cc(OCC(=O)NC(C)(C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000457246652 232022577 /nfs/dbraw/zinc/02/25/77/232022577.db2.gz SCLJYEPOJRYITG-UHFFFAOYSA-N 1 0 309.366 1.738 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)n1 ZINC000286752863 219146856 /nfs/dbraw/zinc/14/68/56/219146856.db2.gz YVELIWOYXVZFRK-NXEZZACHSA-N 1 0 322.287 1.284 20 5 DDBDRO Cc1cc(NC(=O)c2n[nH]cc2[N+](=O)[O-])ccc1C[NH+](C)C ZINC000458277457 232324345 /nfs/dbraw/zinc/32/43/45/232324345.db2.gz IPQFJCWXVNSBFT-UHFFFAOYSA-N 1 0 303.322 1.940 20 5 DDBDRO C[C@@H](C[NH+](C)C)NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000286927924 219229018 /nfs/dbraw/zinc/22/90/18/219229018.db2.gz IYIGMBYGHJEKLC-VIFPVBQESA-N 1 0 318.333 1.529 20 5 DDBDRO COc1ccc(OCC[NH2+][C@H]2CCOC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000277445357 213530615 /nfs/dbraw/zinc/53/06/15/213530615.db2.gz LPNBPAWEOCEAQW-AAEUAGOBSA-N 1 0 310.350 1.997 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CCOC2CCCC2)c1 ZINC000564843666 304018693 /nfs/dbraw/zinc/01/86/93/304018693.db2.gz FBGQRWGVLOBGAG-CQSZACIVSA-N 1 0 324.377 1.883 20 5 DDBDRO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CCn3ccc([N+](=O)[O-])n3)[C@@H]2C1 ZINC000344066895 282776281 /nfs/dbraw/zinc/77/62/81/282776281.db2.gz ICCMZOJMXBKMPK-BFHYXJOUSA-N 1 0 321.381 1.028 20 5 DDBDRO O=C(COc1cccnc1[N+](=O)[O-])NC1CC[NH+](C2CC2)CC1 ZINC000023753197 352184963 /nfs/dbraw/zinc/18/49/63/352184963.db2.gz HREGNEMGBMKNSV-UHFFFAOYSA-N 1 0 320.349 1.112 20 5 DDBDRO Cc1c(NC(=O)CC[N@@H+]2CCC[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC000041886319 352317331 /nfs/dbraw/zinc/31/73/31/352317331.db2.gz WXVBURMFQPYVBI-GFCCVEGCSA-N 1 0 307.350 1.689 20 5 DDBDRO COCC[N@H+](C)CCCNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000041966712 352321089 /nfs/dbraw/zinc/32/10/89/352321089.db2.gz VKUFOQPMWPOYIH-UHFFFAOYSA-N 1 0 309.366 1.222 20 5 DDBDRO O=C(COc1cccc([N+](=O)[O-])c1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000057553944 352820305 /nfs/dbraw/zinc/82/03/05/352820305.db2.gz JEIVVEOGSREHEI-NSHDSACASA-N 1 0 305.334 1.327 20 5 DDBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000058274586 352841516 /nfs/dbraw/zinc/84/15/16/352841516.db2.gz QQHNDUUYQQFNFF-JTQLQIEISA-N 1 0 324.356 1.778 20 5 DDBDRO CC(C)[NH+]1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000067708528 353063228 /nfs/dbraw/zinc/06/32/28/353063228.db2.gz ZZNQPJSBOFHJJP-UHFFFAOYSA-N 1 0 306.366 1.559 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000067830440 353069634 /nfs/dbraw/zinc/06/96/34/353069634.db2.gz YUHOHHCHOJRLKI-NWDGAFQWSA-N 1 0 323.397 1.479 20 5 DDBDRO CC[N@@H+]1CC[C@@H](CNC(=O)CN(C)c2ccccc2[N+](=O)[O-])C1 ZINC000173711153 198243028 /nfs/dbraw/zinc/24/30/28/198243028.db2.gz ASJDOCCJCMMNCH-ZDUSSCGKSA-N 1 0 320.393 1.489 20 5 DDBDRO O=C1CCCN1CC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000072665037 353207877 /nfs/dbraw/zinc/20/78/77/353207877.db2.gz XWOLIFAPHRBQEC-LBPRGKRZSA-N 1 0 319.365 1.098 20 5 DDBDRO Cc1n[nH]c(C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)c1[N+](=O)[O-] ZINC000074321176 353306641 /nfs/dbraw/zinc/30/66/41/353306641.db2.gz IBNWUIPUGGONBL-LBPRGKRZSA-N 1 0 321.381 1.430 20 5 DDBDRO Cc1cc(NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)ncc1[N+](=O)[O-] ZINC000074746518 353328333 /nfs/dbraw/zinc/32/83/33/353328333.db2.gz JNNIOAJXXZYKNQ-LBPRGKRZSA-N 1 0 321.381 1.298 20 5 DDBDRO COCC[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCCC1 ZINC000075645595 353373775 /nfs/dbraw/zinc/37/37/75/353373775.db2.gz CUYUASODADZSNY-CQSZACIVSA-N 1 0 312.370 1.043 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](CO)C1 ZINC000174706308 198372764 /nfs/dbraw/zinc/37/27/64/198372764.db2.gz ILBHNDWVLRYTQX-LLVKDONJSA-N 1 0 323.349 1.246 20 5 DDBDRO Cc1cnc(N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c([N+](=O)[O-])c1 ZINC000078664103 353527544 /nfs/dbraw/zinc/52/75/44/353527544.db2.gz IWLFBPLTDKCJQD-CQSZACIVSA-N 1 0 319.409 1.514 20 5 DDBDRO COC(=O)C[C@@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090524749 353794657 /nfs/dbraw/zinc/79/46/57/353794657.db2.gz CNGDYGUXHPAYFH-LBPRGKRZSA-N 1 0 323.349 1.174 20 5 DDBDRO COC(=O)C(C)(C)[C@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000093279005 353891398 /nfs/dbraw/zinc/89/13/98/353891398.db2.gz XJZINQNZSHETMX-LBPRGKRZSA-N 1 0 324.381 1.703 20 5 DDBDRO Cc1nn(C)c(C(=O)N2CCCC[C@@H]2C[NH+](C)C)c1[N+](=O)[O-] ZINC000104413276 353933139 /nfs/dbraw/zinc/93/31/39/353933139.db2.gz CUWWAAHFMHYKMQ-LLVKDONJSA-N 1 0 309.370 1.193 20 5 DDBDRO C[N@@H+]1CCC[C@H](CNC(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000108325936 353950781 /nfs/dbraw/zinc/95/07/81/353950781.db2.gz XYWNVYNCQAKTJV-CYBMUJFWSA-N 1 0 321.377 1.822 20 5 DDBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2C[C@@H](O)[C@@H](O)C2)o1 ZINC000093483656 353901510 /nfs/dbraw/zinc/90/15/10/353901510.db2.gz ZMZQFPLYUMHOJL-OKILXGFUSA-N 1 0 304.302 1.392 20 5 DDBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000139421137 354127967 /nfs/dbraw/zinc/12/79/67/354127967.db2.gz HNJWQCGMBKLLCG-GFCCVEGCSA-N 1 0 321.381 1.400 20 5 DDBDRO C[C@H]1C[C@H]([NH3+])CCN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000237617094 354344649 /nfs/dbraw/zinc/34/46/49/354344649.db2.gz ZSGAGBBGMRRYHH-DTWKUNHWSA-N 1 0 303.322 1.423 20 5 DDBDRO Cn1c(C(=O)N2CCC[N@H+](CC3CCC3)CC2)ccc1[N+](=O)[O-] ZINC000590347933 355074845 /nfs/dbraw/zinc/07/48/45/355074845.db2.gz NJHWEFRAYYFWEN-UHFFFAOYSA-N 1 0 320.393 1.881 20 5 DDBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000590402682 355085517 /nfs/dbraw/zinc/08/55/17/355085517.db2.gz GOVXEUBSJQMBKX-OCCSQVGLSA-N 1 0 320.393 1.948 20 5 DDBDRO COC(=O)c1ccnc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c1[N+](=O)[O-] ZINC000590585762 355121002 /nfs/dbraw/zinc/12/10/02/355121002.db2.gz RXNINGNNXHIFDR-MNOVXSKESA-N 1 0 320.349 1.449 20 5 DDBDRO C[N@@H+]1C[C@H]2CCN(C(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)[C@H]2C1 ZINC000590446392 355099823 /nfs/dbraw/zinc/09/98/23/355099823.db2.gz TVSMNOSSPTXYPE-RNCFNFMXSA-N 1 0 315.333 1.247 20 5 DDBDRO C[C@]1(C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CCC(=O)N1 ZINC000590781201 355176295 /nfs/dbraw/zinc/17/62/95/355176295.db2.gz FSWFKQUOOWNXID-OAHLLOKOSA-N 1 0 321.333 1.124 20 5 DDBDRO O=[N+]([O-])c1cc2c(cc1CNC[C@@H]1CCC[NH2+]C1)OCCO2 ZINC000591275594 355275400 /nfs/dbraw/zinc/27/54/00/355275400.db2.gz IFWHHDFQKKPPQK-LLVKDONJSA-N 1 0 307.350 1.455 20 5 DDBDRO C[C@@]1(F)C[NH2+]CCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C1 ZINC000591442202 355312231 /nfs/dbraw/zinc/31/22/31/355312231.db2.gz SXFYKUAKOOTNGR-CQSZACIVSA-N 1 0 321.312 1.381 20 5 DDBDRO CCc1nn(C)c(N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC000591444699 355313187 /nfs/dbraw/zinc/31/31/87/355313187.db2.gz HDHMDHXEZBKTRF-RYUDHWBXSA-N 1 0 307.398 1.717 20 5 DDBDRO O=[N+]([O-])c1ccc2oc(CN3CC[C@H]4CC[NH2+][C@@H]4C3)nc2c1 ZINC000591447871 355313475 /nfs/dbraw/zinc/31/34/75/355313475.db2.gz BGLROKMXGOYEKX-ZWNOBZJWSA-N 1 0 302.334 1.920 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[NH2+]C[C@H](O)CCc2ccccc2)c1 ZINC000591756769 355377881 /nfs/dbraw/zinc/37/78/81/355377881.db2.gz ZUOZOGDTMOCQSE-OAHLLOKOSA-N 1 0 304.350 1.375 20 5 DDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])[C@@H]1C[NH2+]CCC1(F)F ZINC000591668882 355357479 /nfs/dbraw/zinc/35/74/79/355357479.db2.gz JOCPTKXFFXEDFB-NSHDSACASA-N 1 0 313.304 1.498 20 5 DDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])[C@H]1C[NH2+]CCC1(F)F ZINC000591668877 355357819 /nfs/dbraw/zinc/35/78/19/355357819.db2.gz JOCPTKXFFXEDFB-LLVKDONJSA-N 1 0 313.304 1.498 20 5 DDBDRO COc1cccc(C(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])c1[N+](=O)[O-] ZINC000591676318 355359840 /nfs/dbraw/zinc/35/98/40/355359840.db2.gz MBNIXPIXLQSJSE-PWSUYJOCSA-N 1 0 307.350 1.803 20 5 DDBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000592217243 355542450 /nfs/dbraw/zinc/54/24/50/355542450.db2.gz CWIXFPNMXWESHD-GHMZBOCLSA-N 1 0 306.366 1.788 20 5 DDBDRO CC[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC[C@@H]1[NH3+] ZINC000592330866 355560383 /nfs/dbraw/zinc/56/03/83/355560383.db2.gz DHMRDERZZVLVCC-KCJUWKMLSA-N 1 0 310.329 1.516 20 5 DDBDRO O=C(CC[NH2+]C[C@@H](O)C(F)(F)F)Nc1ccccc1[N+](=O)[O-] ZINC000592432099 355581879 /nfs/dbraw/zinc/58/18/79/355581879.db2.gz NKLDVJRVMBRPHE-SNVBAGLBSA-N 1 0 321.255 1.436 20 5 DDBDRO O=[N+]([O-])c1cc2c(cc1CN1CC[C@@]3(CC[NH2+]C3)C1)OCCO2 ZINC000592432666 355582131 /nfs/dbraw/zinc/58/21/31/355582131.db2.gz KOYLXJISYKRYTL-MRXNPFEDSA-N 1 0 319.361 1.551 20 5 DDBDRO CC1(CC(F)F)C[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000592446726 355586979 /nfs/dbraw/zinc/58/69/79/355586979.db2.gz RCPWVPLRGBLODA-SNVBAGLBSA-N 1 0 304.297 1.129 20 5 DDBDRO CN(C(=O)CN1CCC(C)([NH3+])CC1)c1ccc([N+](=O)[O-])cc1 ZINC000592485784 355596167 /nfs/dbraw/zinc/59/61/67/355596167.db2.gz YQQNCFKENHJZQK-UHFFFAOYSA-N 1 0 306.366 1.371 20 5 DDBDRO C[C@@H]1C[C@@H](C[NH3+])CN1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000592428714 355580148 /nfs/dbraw/zinc/58/01/48/355580148.db2.gz PVQMLCOXXJCMIP-MNOVXSKESA-N 1 0 307.350 1.535 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCC(C)([NH3+])CC1 ZINC000592543533 355622681 /nfs/dbraw/zinc/62/26/81/355622681.db2.gz FUDLNTJTDCRNCX-UHFFFAOYSA-N 1 0 307.350 1.947 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000592544682 355623533 /nfs/dbraw/zinc/62/35/33/355623533.db2.gz HADXXBMJBAOKHV-VXGBXAGGSA-N 1 0 319.361 1.818 20 5 DDBDRO O=C([C@@H]1C[NH2+]CCO1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000592966001 355757273 /nfs/dbraw/zinc/75/72/73/355757273.db2.gz OUGMZCVHSGDEFZ-AWEZNQCLSA-N 1 0 305.334 1.074 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@@H](C)CCO ZINC000593108166 355800848 /nfs/dbraw/zinc/80/08/48/355800848.db2.gz UNHPRRAIAGDRHK-LBPRGKRZSA-N 1 0 309.366 1.935 20 5 DDBDRO CC[N@@H+]1CCN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])C[C@@H]1C ZINC000593555493 355923964 /nfs/dbraw/zinc/92/39/64/355923964.db2.gz BKCJPFOQCNGHNB-NSHDSACASA-N 1 0 309.341 1.829 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594200390 356138568 /nfs/dbraw/zinc/13/85/68/356138568.db2.gz LRQWSSHZPJDCFR-STQMWFEESA-N 1 0 306.366 1.680 20 5 DDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000594433120 356210971 /nfs/dbraw/zinc/21/09/71/356210971.db2.gz LZFIKCIOGQQCLG-BBRMVZONSA-N 1 0 303.362 1.643 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000594427418 356208133 /nfs/dbraw/zinc/20/81/33/356208133.db2.gz IGBMAUWERUKHJN-BBRMVZONSA-N 1 0 319.361 1.609 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCN1CCOC[C@H]1C ZINC000595014361 356372430 /nfs/dbraw/zinc/37/24/30/356372430.db2.gz UZQSVCQCXNYJJO-OLZOCXBDSA-N 1 0 323.393 1.975 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC2CC1(C[NH3+])C2 ZINC000595118435 356385578 /nfs/dbraw/zinc/38/55/78/356385578.db2.gz PVEJMCORNVHEGI-UHFFFAOYSA-N 1 0 311.363 1.015 20 5 DDBDRO C[C@@H]1CCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@@H]1[NH3+] ZINC000595228503 356412521 /nfs/dbraw/zinc/41/25/21/356412521.db2.gz BLIDYSVWLVQUMP-YGRLFVJLSA-N 1 0 316.361 1.814 20 5 DDBDRO Cc1noc(CN2CC[C@H](C[NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000595326043 356450411 /nfs/dbraw/zinc/45/04/11/356450411.db2.gz ILYSOYQCKQPKEW-GFCCVEGCSA-N 1 0 310.354 1.045 20 5 DDBDRO O=[N+]([O-])c1cc(F)ccc1CN1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000595303601 356440263 /nfs/dbraw/zinc/44/02/63/356440263.db2.gz AFBXCCSNRKTRRO-GOEBONIOSA-N 1 0 323.368 1.765 20 5 DDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H](C)c1nccn1C ZINC000595382004 356473080 /nfs/dbraw/zinc/47/30/80/356473080.db2.gz BAZVBGDFDHOOIC-JTQLQIEISA-N 1 0 324.362 1.676 20 5 DDBDRO CCCc1n[nH]c(C(=O)N2CCC[C@H](C[NH2+]C)C2)c1[N+](=O)[O-] ZINC000236884130 202051874 /nfs/dbraw/zinc/05/18/74/202051874.db2.gz CLBORPWYKUAMPG-SNVBAGLBSA-N 1 0 309.370 1.342 20 5 DDBDRO C[C@@]12COC[C@]1(C)C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)C2 ZINC000595690094 356611148 /nfs/dbraw/zinc/61/11/48/356611148.db2.gz UIOHBXODLGLESR-GASCZTMLSA-N 1 0 307.350 1.115 20 5 DDBDRO O=C1CC[C@H]2C[N@H+](CCOc3ccccc3[N+](=O)[O-])CC[C@H]2N1 ZINC000595737067 356629207 /nfs/dbraw/zinc/62/92/07/356629207.db2.gz GOECIWRFBOWWRU-QWHCGFSZSA-N 1 0 319.361 1.574 20 5 DDBDRO COC(=O)[C@H]1C[C@@H]([N@H+](C)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000595850346 356677248 /nfs/dbraw/zinc/67/72/48/356677248.db2.gz YIFALSXDDGGYIU-TXEJJXNPSA-N 1 0 308.334 1.857 20 5 DDBDRO CCC[N@H+](C)CC(C)(C)NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000595873596 356687151 /nfs/dbraw/zinc/68/71/51/356687151.db2.gz NCNMTUMRAVPKLS-UHFFFAOYSA-N 1 0 322.409 1.904 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2C[C@H](C)[C@@](C)(CO)C2)c1 ZINC000595860919 356681179 /nfs/dbraw/zinc/68/11/79/356681179.db2.gz NBEQAVFLSDIWMR-MEDUHNTESA-N 1 0 322.361 1.832 20 5 DDBDRO O=[N+]([O-])c1ccc(CN2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000595867505 356684538 /nfs/dbraw/zinc/68/45/38/356684538.db2.gz NOESAXJUQZPLHU-INIZCTEOSA-N 1 0 305.378 1.626 20 5 DDBDRO Cc1ccc([C@H](C)NC(=O)[C@@H]2CCO[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000595940871 356715022 /nfs/dbraw/zinc/71/50/22/356715022.db2.gz JDICVYOLOGWCIV-SUHUHFCYSA-N 1 0 307.350 1.444 20 5 DDBDRO C[C@@H]1C[NH+](C(C)(C)CNc2cc[nH]c(=O)c2[N+](=O)[O-])C[C@@H](C)O1 ZINC000596065562 356758483 /nfs/dbraw/zinc/75/84/83/356758483.db2.gz SEFHZWKRBQUZDT-GHMZBOCLSA-N 1 0 324.381 1.995 20 5 DDBDRO [NH3+][C@@H]1CN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC[C@H]1F ZINC000596105272 356773596 /nfs/dbraw/zinc/77/35/96/356773596.db2.gz IVPVBQRQIZCETQ-GHMZBOCLSA-N 1 0 311.313 1.237 20 5 DDBDRO CN(CCC[NH+](C)C)CCNc1ncc([N+](=O)[O-])cc1Cl ZINC000596424291 356875145 /nfs/dbraw/zinc/87/51/45/356875145.db2.gz GMUVCJXSEILSBE-UHFFFAOYSA-N 1 0 315.805 1.939 20 5 DDBDRO CN(C(=O)Cc1cccc([N+](=O)[O-])c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000237212394 202192168 /nfs/dbraw/zinc/19/21/68/202192168.db2.gz GNKQNPVZGGTVQX-NNQSOWQGSA-N 1 0 303.362 1.879 20 5 DDBDRO CC(C)(C)[N@@H+]1CC[C@H](CNc2ncc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000596309370 356853585 /nfs/dbraw/zinc/85/35/85/356853585.db2.gz ZWZQPMFAGLRANO-SNVBAGLBSA-N 1 0 321.381 1.621 20 5 DDBDRO C[C@@H](CN(C)CCC[NH+](C)C)Nc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596361006 356863664 /nfs/dbraw/zinc/86/36/64/356863664.db2.gz HXUWAXDNZATQLR-NSHDSACASA-N 1 0 311.386 1.379 20 5 DDBDRO O=[N+]([O-])c1cc(F)ccc1N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000596537467 356910264 /nfs/dbraw/zinc/91/02/64/356910264.db2.gz GRLYCYZYOPBORJ-ZDUSSCGKSA-N 1 0 309.341 1.769 20 5 DDBDRO Nc1c(F)c(N2CCC([N@@H+]3CC[C@H](O)C3)CC2)ccc1[N+](=O)[O-] ZINC000596538494 356911403 /nfs/dbraw/zinc/91/14/03/356911403.db2.gz LFRPZLWVTAJDFK-NSHDSACASA-N 1 0 324.356 1.352 20 5 DDBDRO C[NH+](C)CCC[C@H]1CN(c2cc[nH]c(=O)c2[N+](=O)[O-])CCO1 ZINC000596565969 356919622 /nfs/dbraw/zinc/91/96/22/356919622.db2.gz JKRAUALKUMLCOA-NSHDSACASA-N 1 0 310.354 1.242 20 5 DDBDRO CCOc1cc(C[N@@H+]2CC[C@@H](C(=O)OC)C2)ccc1[N+](=O)[O-] ZINC000276854794 213134554 /nfs/dbraw/zinc/13/45/54/213134554.db2.gz FIEIYECCZRHPFC-GFCCVEGCSA-N 1 0 308.334 1.988 20 5 DDBDRO CCN(C(=O)c1cccc([N+](=O)[O-])c1OC)[C@H]1CC[N@H+](C)C1 ZINC000597943936 357392379 /nfs/dbraw/zinc/39/23/79/357392379.db2.gz BCAISPCHHSAIES-NSHDSACASA-N 1 0 307.350 1.770 20 5 DDBDRO C[C@@H](CCNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)[NH+](C)C ZINC000597991640 357408465 /nfs/dbraw/zinc/40/84/65/357408465.db2.gz GEOOCEGCZZFUFA-VIFPVBQESA-N 1 0 309.322 1.394 20 5 DDBDRO CC[C@@H]1CN(C(=O)CCn2cc([N+](=O)[O-])nc2C)C[C@H](C)[NH2+]1 ZINC000598535833 357625094 /nfs/dbraw/zinc/62/50/94/357625094.db2.gz JDVSHAPTVIPSSI-CMPLNLGQSA-N 1 0 309.370 1.089 20 5 DDBDRO Cn1cc([N+](=O)[O-])c(C(=O)NCc2ccc(C[NH+](C)C)cc2)n1 ZINC000347756756 283271509 /nfs/dbraw/zinc/27/15/09/283271509.db2.gz KRTDFBBWHKSUMI-UHFFFAOYSA-N 1 0 317.349 1.320 20 5 DDBDRO CN(CC(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1)c1ccccc1[N+](=O)[O-] ZINC000598670682 357679194 /nfs/dbraw/zinc/67/91/94/357679194.db2.gz WWBDDFHSIJNKAN-LRDDRELGSA-N 1 0 318.377 1.371 20 5 DDBDRO C[NH2+]C[C@H](C)NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C ZINC000598721139 357703395 /nfs/dbraw/zinc/70/33/95/357703395.db2.gz STZJWBZMEHYEBB-VIFPVBQESA-N 1 0 301.368 1.098 20 5 DDBDRO COc1cc(CN2C[C@H]3CCC[C@@]3([NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000598720717 357703447 /nfs/dbraw/zinc/70/34/47/357703447.db2.gz RKSYDBKDLHQUFX-MLGOLLRUSA-N 1 0 321.377 1.925 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CC[C@H]2CC2(F)F)c1 ZINC000598730381 357707016 /nfs/dbraw/zinc/70/70/16/357707016.db2.gz UOAGGQZUXHYAGE-CMPLNLGQSA-N 1 0 316.304 1.969 20 5 DDBDRO CC(C)[C@@](C)(C[NH3+])NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598915417 357757570 /nfs/dbraw/zinc/75/75/70/357757570.db2.gz LQFGKNZRGDTSSU-CQSZACIVSA-N 1 0 308.338 1.023 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[N@H+]2CC3(CCOCC3)CC[C@H]2CO)n1 ZINC000599542839 357967766 /nfs/dbraw/zinc/96/77/66/357967766.db2.gz FBAUDQZHJPWQSV-ZDUSSCGKSA-N 1 0 324.381 1.045 20 5 DDBDRO C[C@@H](NC(=O)NCC1([NH3+])CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000599908700 358078911 /nfs/dbraw/zinc/07/89/11/358078911.db2.gz UOYJBNHVVNXJNR-LLVKDONJSA-N 1 0 322.365 1.463 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@@H](CCO)c1ccco1 ZINC000185106982 199809368 /nfs/dbraw/zinc/80/93/68/199809368.db2.gz RWPCCJYMFZJVBR-LBPRGKRZSA-N 1 0 307.306 1.063 20 5 DDBDRO C[N@@H+]1CCCC[C@H](CNC(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000600316295 358195034 /nfs/dbraw/zinc/19/50/34/358195034.db2.gz ZDPDXERXOUDAHD-CQSZACIVSA-N 1 0 305.378 1.985 20 5 DDBDRO COc1ccc(C(=O)N2CCC[C@H](C)[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000237353499 202241927 /nfs/dbraw/zinc/24/19/27/202241927.db2.gz SNXAXQUXQOAUSU-GXFFZTMASA-N 1 0 307.350 1.803 20 5 DDBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000180545286 199174145 /nfs/dbraw/zinc/17/41/45/199174145.db2.gz WQRUBPNGLYTCSS-GHMZBOCLSA-N 1 0 321.381 1.422 20 5 DDBDRO CC(C)[C@@H]1C[NH2+]CCN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000600713540 358291637 /nfs/dbraw/zinc/29/16/37/358291637.db2.gz BSGRFNQNRRFDAZ-AWEZNQCLSA-N 1 0 306.366 1.463 20 5 DDBDRO CC(C)[C@H]1C[NH2+]CCN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000600716119 358292898 /nfs/dbraw/zinc/29/28/98/358292898.db2.gz WMDOFOYTPCQFGJ-OAHLLOKOSA-N 1 0 320.393 1.487 20 5 DDBDRO O=c1[nH]cccc1C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000600755441 358308749 /nfs/dbraw/zinc/30/87/49/358308749.db2.gz CWDPOENTTIYUOB-ZDUSSCGKSA-N 1 0 319.317 1.225 20 5 DDBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@H]3COC[C@H]3O)o2)c1 ZINC000601140403 358418302 /nfs/dbraw/zinc/41/83/02/358418302.db2.gz XTTVSZRXEAOYTO-UONOGXRCSA-N 1 0 304.302 1.704 20 5 DDBDRO CC[NH+](CC)CCOCCNc1ncc(F)cc1[N+](=O)[O-] ZINC000601142729 358419286 /nfs/dbraw/zinc/41/92/86/358419286.db2.gz ZCOXOMYUTDKQOR-UHFFFAOYSA-N 1 0 300.334 1.899 20 5 DDBDRO O=[N+]([O-])c1cc(F)cnc1N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000601174669 358433638 /nfs/dbraw/zinc/43/36/38/358433638.db2.gz ZGEGZZBJDZIFOR-UHFFFAOYSA-N 1 0 324.356 1.820 20 5 DDBDRO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000601558034 358600640 /nfs/dbraw/zinc/60/06/40/358600640.db2.gz QHBQZTHHBLDCBL-QMTHXVAHSA-N 1 0 307.325 1.948 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]3C[NH2+]CC[C@@H]32)n1 ZINC000601552194 358597821 /nfs/dbraw/zinc/59/78/21/358597821.db2.gz JINZCARSUNTFAG-MNOVXSKESA-N 1 0 307.354 1.025 20 5 DDBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000601975492 358762163 /nfs/dbraw/zinc/76/21/63/358762163.db2.gz WBJSKTQIJPFUBM-SDDRHHMPSA-N 1 0 305.334 1.500 20 5 DDBDRO CC[NH+](CC)CCOCCNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000348154416 283393323 /nfs/dbraw/zinc/39/33/23/283393323.db2.gz DDHXJFCUVVUZOU-UHFFFAOYSA-N 1 0 315.395 1.745 20 5 DDBDRO Cn1cc(CN2CCC([NH+]3CCCCC3)CC2)c([N+](=O)[O-])n1 ZINC000602437218 358975771 /nfs/dbraw/zinc/97/57/71/358975771.db2.gz FQEVMKXZNLDEEK-UHFFFAOYSA-N 1 0 307.398 1.779 20 5 DDBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N[C@H]1CC[NH2+]C12CCC2 ZINC000602531743 359029999 /nfs/dbraw/zinc/02/99/99/359029999.db2.gz JATSLJIDVAUDKU-AWEZNQCLSA-N 1 0 319.361 1.765 20 5 DDBDRO C[C@@H]1CC[C@@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])C[NH2+]1 ZINC000602554664 359042094 /nfs/dbraw/zinc/04/20/94/359042094.db2.gz NKXPPSKCVAPMGU-VXGBXAGGSA-N 1 0 307.350 1.620 20 5 DDBDRO COC[C@@]1(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CCCC[NH2+]1 ZINC000602444966 358981079 /nfs/dbraw/zinc/98/10/79/358981079.db2.gz KENXWILBPYUNSQ-MRXNPFEDSA-N 1 0 321.377 1.412 20 5 DDBDRO C[C@H](CC[S@@](C)=O)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602566007 359047133 /nfs/dbraw/zinc/04/71/33/359047133.db2.gz CMKDDEAYMXZFJN-AOUSDQRYSA-N 1 0 311.363 1.983 20 5 DDBDRO CC(C)(C)[C@@H](O)C[C@H](CO)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602656237 359103758 /nfs/dbraw/zinc/10/37/58/359103758.db2.gz XJJJSUYOEIKLDR-HIFRSBDPSA-N 1 0 310.394 1.885 20 5 DDBDRO C[C@@]12C[NH+](Cc3cccc([N+](=O)[O-])c3)C[C@@]1(C)C(=O)NC2=O ZINC000602729697 359152982 /nfs/dbraw/zinc/15/29/82/359152982.db2.gz BLYSWXFOZUHBKB-GJZGRUSLSA-N 1 0 303.318 1.079 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@H](n2ccnn2)C1 ZINC000602848523 359235682 /nfs/dbraw/zinc/23/56/82/359235682.db2.gz VXRNMFDHIXDHOK-LBPRGKRZSA-N 1 0 305.342 1.028 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C)[C@H]1CN(C)CCO1 ZINC000618467677 363642689 /nfs/dbraw/zinc/64/26/89/363642689.db2.gz PFKXCJSWCJEBBJ-WCQYABFASA-N 1 0 307.350 1.352 20 5 DDBDRO C[C@H](c1cccc([N+](=O)[O-])c1)n1cc(CN2CC[NH2+]CC2)nn1 ZINC000603185396 359465517 /nfs/dbraw/zinc/46/55/17/359465517.db2.gz HFJIOLGOUWLIRG-GFCCVEGCSA-N 1 0 316.365 1.201 20 5 DDBDRO COCC[NH2+]CCc1cn(Cc2ccc(F)cc2[N+](=O)[O-])nn1 ZINC000603224571 359496661 /nfs/dbraw/zinc/49/66/61/359496661.db2.gz QVCXEFJTVRHAMX-UHFFFAOYSA-N 1 0 323.328 1.152 20 5 DDBDRO COc1cc(OCC(=O)N[C@@H]2CCC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000604460832 359752931 /nfs/dbraw/zinc/75/29/31/359752931.db2.gz BJGBKDWZTXLCMQ-LLVKDONJSA-N 1 0 323.349 1.193 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000237580870 202291887 /nfs/dbraw/zinc/29/18/87/202291887.db2.gz GHSJDVLWIZBLIM-RYUDHWBXSA-N 1 0 309.370 1.124 20 5 DDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])[C@@H]1CC12CC[NH2+]CC2 ZINC000237891313 202380569 /nfs/dbraw/zinc/38/05/69/202380569.db2.gz GMCUOVYQIWWKJG-ZDUSSCGKSA-N 1 0 303.362 1.643 20 5 DDBDRO [NH3+][C@H]1CCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000237853774 202371052 /nfs/dbraw/zinc/37/10/52/202371052.db2.gz YIJOVMHVIHRKEM-JTQLQIEISA-N 1 0 318.358 1.892 20 5 DDBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000609399946 360304038 /nfs/dbraw/zinc/30/40/38/360304038.db2.gz WQHFQAPPSRXFHA-AWEZNQCLSA-N 1 0 318.377 1.878 20 5 DDBDRO Cc1nn(C)c(NCCCN2CCC[N@H+](C)CC2)c1[N+](=O)[O-] ZINC000609630890 360338556 /nfs/dbraw/zinc/33/85/56/360338556.db2.gz CWJJKJHVFUXOJF-UHFFFAOYSA-N 1 0 310.402 1.076 20 5 DDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000610240093 360395255 /nfs/dbraw/zinc/39/52/55/360395255.db2.gz VJKUAIPGGHSDKO-AWEZNQCLSA-N 1 0 303.362 1.738 20 5 DDBDRO C[C@@H]1COCCC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000610990904 360592174 /nfs/dbraw/zinc/59/21/74/360592174.db2.gz UFQGIZKERFOUGH-TZMCWYRMSA-N 1 0 310.350 1.445 20 5 DDBDRO CC[N@@H+]1CCN(c2ccc(C(=O)NC)cc2[N+](=O)[O-])C[C@H]1C ZINC000611084575 360617547 /nfs/dbraw/zinc/61/75/47/360617547.db2.gz FMRQNGCXOFELML-LLVKDONJSA-N 1 0 306.366 1.485 20 5 DDBDRO C[C@H]1CN(c2cccnc2[N+](=O)[O-])CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000611204549 360658647 /nfs/dbraw/zinc/65/86/47/360658647.db2.gz RWTHUGYEDYWDCC-KBPBESRZSA-N 1 0 319.409 1.452 20 5 DDBDRO CC[NH+](CC)CCN(CCOC)c1ncc([N+](=O)[O-])s1 ZINC000192481120 200885120 /nfs/dbraw/zinc/88/51/20/200885120.db2.gz RDHLEIAJYVMDBQ-UHFFFAOYSA-N 1 0 302.400 1.846 20 5 DDBDRO CCC[NH2+]CCNS(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000193347336 201035217 /nfs/dbraw/zinc/03/52/17/201035217.db2.gz OIMRDKXQQIHFBC-UHFFFAOYSA-N 1 0 315.395 1.490 20 5 DDBDRO C[C@H]1[NH2+]CCC[C@H]1NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000193588027 201079830 /nfs/dbraw/zinc/07/98/30/201079830.db2.gz MQRXRHWRUMGXCD-ZWNOBZJWSA-N 1 0 309.391 1.944 20 5 DDBDRO C[C@@H](c1ccccc1)[C@H](CO)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000613388967 361402245 /nfs/dbraw/zinc/40/22/45/361402245.db2.gz AMSJVSIWDJOEDE-WFASDCNBSA-N 1 0 304.350 1.546 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)NCC12CCC[NH+]1CCC2 ZINC000619574008 364067152 /nfs/dbraw/zinc/06/71/52/364067152.db2.gz IXPOXVJUUJNNEV-UHFFFAOYSA-N 1 0 319.361 1.718 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000619874129 364170494 /nfs/dbraw/zinc/17/04/94/364170494.db2.gz ZJEBTIXRMGTBLS-AWEZNQCLSA-N 1 0 318.377 1.023 20 5 DDBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000359223198 299363225 /nfs/dbraw/zinc/36/32/25/299363225.db2.gz HRHVIYOEYKUGJY-LBPRGKRZSA-N 1 0 304.350 1.631 20 5 DDBDRO CC[NH2+][C@H](C)CNS(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000359270594 299388626 /nfs/dbraw/zinc/38/86/26/299388626.db2.gz FLONBZDWEWFHGQ-SNVBAGLBSA-N 1 0 301.368 1.180 20 5 DDBDRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000349919102 284106049 /nfs/dbraw/zinc/10/60/49/284106049.db2.gz GBIABWHROMEUFH-GFCCVEGCSA-N 1 0 324.381 1.496 20 5 DDBDRO COC(=O)c1cc(NC(=O)CC[C@H]2CC[NH2+]C2)cc([N+](=O)[O-])c1 ZINC000261799067 203119426 /nfs/dbraw/zinc/11/94/26/203119426.db2.gz DYGKAMXYPZRQLN-JTQLQIEISA-N 1 0 321.333 1.710 20 5 DDBDRO COc1ccc(C(=O)N2CCCC[C@@H]2CC[NH3+])cc1[N+](=O)[O-] ZINC000261971975 203163540 /nfs/dbraw/zinc/16/35/40/203163540.db2.gz QFRFLSPUKIXDFE-GFCCVEGCSA-N 1 0 307.350 1.947 20 5 DDBDRO COc1cc(C(=O)N[C@@H]2[C@@H](C)CC[NH2+][C@H]2C)ccc1[N+](=O)[O-] ZINC000262392036 203281898 /nfs/dbraw/zinc/28/18/98/203281898.db2.gz BJCRTRRFDIIKLW-PKFCDNJMSA-N 1 0 307.350 1.720 20 5 DDBDRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000262607303 203347055 /nfs/dbraw/zinc/34/70/55/203347055.db2.gz CCTDCWIKBSAMRH-OLZOCXBDSA-N 1 0 321.377 1.997 20 5 DDBDRO Nc1c(C(=O)N[C@@H](C[NH3+])C2CCCCC2)cccc1[N+](=O)[O-] ZINC000262602893 203348300 /nfs/dbraw/zinc/34/83/00/203348300.db2.gz QUAPUWPFFDGHFY-LBPRGKRZSA-N 1 0 306.366 1.814 20 5 DDBDRO CCCc1n[nH]c(C(=O)N2CCC[C@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000264677130 204072104 /nfs/dbraw/zinc/07/21/04/204072104.db2.gz NWEIAFMODPHHJM-JTQLQIEISA-N 1 0 309.370 1.437 20 5 DDBDRO Cc1n[nH]c(C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000266081593 205082682 /nfs/dbraw/zinc/08/26/82/205082682.db2.gz DOFNDYPQOKPLRG-LLVKDONJSA-N 1 0 309.370 1.573 20 5 DDBDRO CNC(=O)[C@H]1CCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000282825243 217275818 /nfs/dbraw/zinc/27/58/18/217275818.db2.gz YWTZTHYUIRYVLR-CYBMUJFWSA-N 1 0 320.349 1.134 20 5 DDBDRO C[NH2+]C[C@@H](C)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000160918183 197450869 /nfs/dbraw/zinc/45/08/69/197450869.db2.gz PNXKJOHTJMFGGM-GFCCVEGCSA-N 1 0 321.377 1.820 20 5 DDBDRO [NH3+]CC[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000440809038 229837288 /nfs/dbraw/zinc/83/72/88/229837288.db2.gz ZRMXUEOLZZTQPG-VIFPVBQESA-N 1 0 319.408 1.406 20 5 DDBDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000351756074 284502455 /nfs/dbraw/zinc/50/24/55/284502455.db2.gz ONJCHFNHGKQRAO-QWHCGFSZSA-N 1 0 320.393 1.983 20 5 DDBDRO C[C@H]([NH2+]CCCn1cc(CO)nn1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294077618 223838663 /nfs/dbraw/zinc/83/86/63/223838663.db2.gz IELCYUVWLVTIDC-JTQLQIEISA-N 1 0 320.353 1.002 20 5 DDBDRO [NH3+]C[C@H]1CN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])CCCO1 ZINC000313378933 248841566 /nfs/dbraw/zinc/84/15/66/248841566.db2.gz NZFJPVYTRJTOIW-FWWRYZNZSA-N 1 0 305.334 1.184 20 5 DDBDRO COc1ccc(NC(=O)C[NH2+][C@H](C)[C@H](C)CO)c([N+](=O)[O-])c1 ZINC000274084190 211340948 /nfs/dbraw/zinc/34/09/48/211340948.db2.gz SOMHRNSMYCITHP-NXEZZACHSA-N 1 0 311.338 1.148 20 5 DDBDRO CC1(C)[C@H](O)C[C@@H]1[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000567352651 304213931 /nfs/dbraw/zinc/21/39/31/304213931.db2.gz JLAWXJDILVNDMY-LEWSCRJBSA-N 1 0 310.350 1.084 20 5 DDBDRO CO[C@H]1C[C@@H](CN(C)C(=O)c2ccccc2[N+](=O)[O-])[N@H+](C)C1 ZINC000284594778 218093809 /nfs/dbraw/zinc/09/38/09/218093809.db2.gz JEIPQAZFDABESJ-RYUDHWBXSA-N 1 0 307.350 1.386 20 5 DDBDRO CCn1nccc1CC[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000338569690 250035055 /nfs/dbraw/zinc/03/50/55/250035055.db2.gz LIWJWHLDPSMIQC-UHFFFAOYSA-N 1 0 301.350 1.807 20 5 DDBDRO COc1cc(N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)ccc1[N+](=O)[O-] ZINC000285209721 218334511 /nfs/dbraw/zinc/33/45/11/218334511.db2.gz WYZSXQOYXVBSFE-KBPBESRZSA-N 1 0 307.350 1.513 20 5 DDBDRO CC(C)N1CC[C@H]([NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1=O ZINC000285366203 218399206 /nfs/dbraw/zinc/39/92/06/218399206.db2.gz VTTOLTXSUIMPFT-MFKMUULPSA-N 1 0 306.366 1.837 20 5 DDBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000285489390 218467566 /nfs/dbraw/zinc/46/75/66/218467566.db2.gz INYUAUSKDDOWIX-ZFWWWQNUSA-N 1 0 320.393 1.315 20 5 DDBDRO CN(CC(C)(C)C[NH3+])C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000269191330 207310948 /nfs/dbraw/zinc/31/09/48/207310948.db2.gz LFYWBXKUFSNULY-UHFFFAOYSA-N 1 0 323.349 1.423 20 5 DDBDRO CO[C@@H]1C[C@H]([N@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C12CCC2 ZINC000451836357 532953428 /nfs/dbraw/zinc/95/34/28/532953428.db2.gz BMXPNAAKLHINKJ-MELADBBJSA-N 1 0 324.381 1.042 20 5 DDBDRO COc1cc(C(=O)NC[C@@H]([NH3+])C(C)C)cc([N+](=O)[O-])c1OC ZINC000269273166 207421025 /nfs/dbraw/zinc/42/10/25/207421025.db2.gz NHXZQQOYMFFPOJ-SNVBAGLBSA-N 1 0 311.338 1.325 20 5 DDBDRO O=C(NCC1CC1)[C@@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000157698412 197208920 /nfs/dbraw/zinc/20/89/20/197208920.db2.gz HXBJSHOREQNDHV-CYBMUJFWSA-N 1 0 321.381 1.030 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H](CO)C1CCCC1 ZINC000352621760 285180019 /nfs/dbraw/zinc/18/00/19/285180019.db2.gz UNYYGVHJPVAHDM-ZDUSSCGKSA-N 1 0 321.377 1.982 20 5 DDBDRO CC[N@@H+]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H](C)C1 ZINC000352689902 285230531 /nfs/dbraw/zinc/23/05/31/285230531.db2.gz DKHYIGCHSAULNM-LLVKDONJSA-N 1 0 303.366 1.997 20 5 DDBDRO Cc1ccc(CN2CCN([C@@H]3CC[NH2+]C3)CC2)cc1[N+](=O)[O-] ZINC000352701209 285238881 /nfs/dbraw/zinc/23/88/81/285238881.db2.gz GHKNJDYRXAUWBB-OAHLLOKOSA-N 1 0 304.394 1.383 20 5 DDBDRO C[NH+](C)CC(C)(C)Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000413363618 224184238 /nfs/dbraw/zinc/18/42/38/224184238.db2.gz QLUSREVHWRACNT-UHFFFAOYSA-N 1 0 321.424 1.812 20 5 DDBDRO CC(C)(O)C(C)(C)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000271614033 209059938 /nfs/dbraw/zinc/05/99/38/209059938.db2.gz KPIKCZILKWDRBH-GFCCVEGCSA-N 1 0 312.366 1.474 20 5 DDBDRO O=c1nc([C@@H]2CCC[N@@H+](CCc3ccc([N+](=O)[O-])cc3)C2)[nH][nH]1 ZINC000289571824 221076740 /nfs/dbraw/zinc/07/67/40/221076740.db2.gz YMHWMZQSQUHUHU-GFCCVEGCSA-N 1 0 317.349 1.428 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000289714526 221173065 /nfs/dbraw/zinc/17/30/65/221173065.db2.gz KYTZOJULBXRASL-WDEREUQCSA-N 1 0 323.324 1.181 20 5 DDBDRO COc1cc(C[NH2+]C[C@@H](C)O)c([N+](=O)[O-])cc1OCC(F)F ZINC000352834675 285328770 /nfs/dbraw/zinc/32/87/70/285328770.db2.gz VSYRYZLERVQHRG-MRVPVSSYSA-N 1 0 320.292 1.718 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000414647745 533227577 /nfs/dbraw/zinc/22/75/77/533227577.db2.gz ACPNTRBJHINOGA-SKDRFNHKSA-N 1 0 308.338 1.723 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CO)[C@@H]1CCCOC1 ZINC000414554034 224352353 /nfs/dbraw/zinc/35/23/53/224352353.db2.gz LBYXHWJQGFROJC-YUELXQCFSA-N 1 0 308.378 1.903 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000414653168 224368925 /nfs/dbraw/zinc/36/89/25/224368925.db2.gz HPPAUFFWPOEYRY-NSHDSACASA-N 1 0 324.337 1.103 20 5 DDBDRO Cc1n[nH]c(C(=O)NC[C@H](c2ccsc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000299455170 533668085 /nfs/dbraw/zinc/66/80/85/533668085.db2.gz UVEHVRCINNNFBL-SNVBAGLBSA-N 1 0 323.378 1.721 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@@H](C)CC[NH3+])c1C ZINC000336834397 291994715 /nfs/dbraw/zinc/99/47/15/291994715.db2.gz QVYKIGVCPPVUKM-VIFPVBQESA-N 1 0 301.368 1.227 20 5 DDBDRO CC(=O)N[C@H](C)C1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000360311202 299632742 /nfs/dbraw/zinc/63/27/42/299632742.db2.gz SRTXSRVBUGHNDI-LLVKDONJSA-N 1 0 309.370 1.028 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1CC[NH2+][C@H]1C(C)C ZINC000353176481 285573383 /nfs/dbraw/zinc/57/33/83/285573383.db2.gz GUQAROZPTASMSW-HIFRSBDPSA-N 1 0 321.377 1.854 20 5 DDBDRO C[C@@]1(C(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)CC[NH2+]C1 ZINC000579704442 422817026 /nfs/dbraw/zinc/81/70/26/422817026.db2.gz BIMYWICIFIFKMT-OAHLLOKOSA-N 1 0 315.333 1.923 20 5 DDBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@H](CO)[C@@H]1CCOC1 ZINC000360765599 299741599 /nfs/dbraw/zinc/74/15/99/299741599.db2.gz PWLVSDZUFARKHE-OGCZOTBESA-N 1 0 306.362 1.843 20 5 DDBDRO C[C@@H]1COCCN1CC[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000338379989 297123770 /nfs/dbraw/zinc/12/37/70/297123770.db2.gz QUMJPYBBQCMTDQ-CQSZACIVSA-N 1 0 307.394 1.790 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)C[NH+](C)C ZINC000286610442 292294494 /nfs/dbraw/zinc/29/44/94/292294494.db2.gz HMWDLAATZCFBPV-JTQLQIEISA-N 1 0 301.368 1.132 20 5 DDBDRO C[NH2+][C@@H]1CCCN(C(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000515382058 307403857 /nfs/dbraw/zinc/40/38/57/307403857.db2.gz YFKQPSNTZXPPLD-GFCCVEGCSA-N 1 0 307.350 1.356 20 5 DDBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@](C)(C[NH3+])C1 ZINC000261663144 407571291 /nfs/dbraw/zinc/57/12/91/407571291.db2.gz IKXDHGZTFKZTPR-IAQYHMDHSA-N 1 0 306.366 1.593 20 5 DDBDRO C[NH2+]CCN(C)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000070303964 406813292 /nfs/dbraw/zinc/81/32/92/406813292.db2.gz BOHXXHGFMQTFPF-UHFFFAOYSA-N 1 0 307.759 1.088 20 5 DDBDRO Cc1nn(C)c(NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)c1[N+](=O)[O-] ZINC000072015988 406871358 /nfs/dbraw/zinc/87/13/58/406871358.db2.gz JZJMTHJYKCSJQU-ZDUSSCGKSA-N 1 0 324.429 1.321 20 5 DDBDRO CCCc1n[nH]c(C(=O)N2CC[C@@H]3CC[C@H](C2)[N@@H+]3C)c1[N+](=O)[O-] ZINC000073991422 406898653 /nfs/dbraw/zinc/89/86/53/406898653.db2.gz WHVJUKOBDKNFMQ-WDEREUQCSA-N 1 0 321.381 1.579 20 5 DDBDRO C[C@H](CN1CC[NH+](C)CC1)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000078543716 407033237 /nfs/dbraw/zinc/03/32/37/407033237.db2.gz QGTHRVOMLWVASF-LLVKDONJSA-N 1 0 323.353 1.551 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000086468683 407112619 /nfs/dbraw/zinc/11/26/19/407112619.db2.gz KJBOSXJWUWTAKI-QWRGUYRKSA-N 1 0 313.379 1.274 20 5 DDBDRO C[C@@H]1C[NH2+]CCN1C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000125360382 407386604 /nfs/dbraw/zinc/38/66/04/407386604.db2.gz KYZXKEJRYWBPJT-GFCCVEGCSA-N 1 0 306.366 1.607 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170873584 407542668 /nfs/dbraw/zinc/54/26/68/407542668.db2.gz DGVXOFBVKIEPBB-LBPRGKRZSA-N 1 0 313.379 1.228 20 5 DDBDRO COCCC[NH+]1CCC(NC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000171125932 407603724 /nfs/dbraw/zinc/60/37/24/407603724.db2.gz BHTPYFNRCAOZIZ-UHFFFAOYSA-N 1 0 321.377 1.826 20 5 DDBDRO C[C@H]1CCCN(CC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]1C[NH3+] ZINC000261865709 407648131 /nfs/dbraw/zinc/64/81/31/407648131.db2.gz GLQLAUPDMYEUBU-FZMZJTMJSA-N 1 0 306.366 1.593 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@@](C)(C[NH3+])C1 ZINC000261871354 407651605 /nfs/dbraw/zinc/65/16/05/407651605.db2.gz SZWBJNFPADOTIQ-HNNXBMFYSA-N 1 0 306.366 1.512 20 5 DDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC1(C)CC[NH2+]CC1 ZINC000229626918 407669722 /nfs/dbraw/zinc/66/97/22/407669722.db2.gz IDTNDKDFNLWWBE-UHFFFAOYSA-N 1 0 313.379 1.324 20 5 DDBDRO CC[N@H+](CC(=O)NCCNc1ccccc1[N+](=O)[O-])C1CC1 ZINC000178981588 407680464 /nfs/dbraw/zinc/68/04/64/407680464.db2.gz RCVDSVCPXVCGLD-UHFFFAOYSA-N 1 0 306.366 1.607 20 5 DDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CC[NH2+]C2)cc1OC ZINC000179068246 407713951 /nfs/dbraw/zinc/71/39/51/407713951.db2.gz DJRKDJHFTKPBAJ-JTQLQIEISA-N 1 0 323.349 1.436 20 5 DDBDRO COc1ccc(NC(=O)[C@@H]2CC23CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000262040228 407720284 /nfs/dbraw/zinc/72/02/84/407720284.db2.gz BTMAWWXDVCVVTQ-NSHDSACASA-N 1 0 305.334 1.932 20 5 DDBDRO CC(C)([NH3+])CNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000236626076 407735559 /nfs/dbraw/zinc/73/55/59/407735559.db2.gz ODRDDLUQGKUPIN-UHFFFAOYSA-N 1 0 316.155 1.824 20 5 DDBDRO Cc1ccc([C@@H](C)[NH2+]CC2(C(N)=O)CCOCC2)cc1[N+](=O)[O-] ZINC000153146344 407763344 /nfs/dbraw/zinc/76/33/44/407763344.db2.gz SPNLSTWGDBBTBA-GFCCVEGCSA-N 1 0 321.377 1.836 20 5 DDBDRO C[NH2+]C[C@@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000237160485 407799161 /nfs/dbraw/zinc/79/91/61/407799161.db2.gz YNFSABYJJSYATQ-QMMMGPOBSA-N 1 0 305.381 1.029 20 5 DDBDRO CCc1nn(C)c(NC[C@@H](O)C[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000179569264 407807672 /nfs/dbraw/zinc/80/76/72/407807672.db2.gz BNRPSWFQWSLQAL-LLVKDONJSA-N 1 0 311.386 1.149 20 5 DDBDRO C[C@H]([NH3+])[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000237459297 407822645 /nfs/dbraw/zinc/82/26/45/407822645.db2.gz RBHCZDNACCXVFS-IUCAKERBSA-N 1 0 319.408 1.547 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CC[C@]3(CCOC3)C2)c1 ZINC000153605228 407862258 /nfs/dbraw/zinc/86/22/58/407862258.db2.gz AWLGLJXJMURAHC-ZBFHGGJFSA-N 1 0 322.361 1.447 20 5 DDBDRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000238006821 407867747 /nfs/dbraw/zinc/86/77/47/407867747.db2.gz VEBABKFVTOAXMQ-BXUZGUMPSA-N 1 0 307.350 1.607 20 5 DDBDRO Cc1c(CNC(=O)[C@H]2CC23CC[NH2+]CC3)cccc1[N+](=O)[O-] ZINC000262571075 407872421 /nfs/dbraw/zinc/87/24/21/407872421.db2.gz XLHJJMIWAFJLJG-CYBMUJFWSA-N 1 0 303.362 1.909 20 5 DDBDRO CC(=O)NCCC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173472845 407881531 /nfs/dbraw/zinc/88/15/31/407881531.db2.gz WZRBFZVCFLVUER-GFCCVEGCSA-N 1 0 307.354 1.002 20 5 DDBDRO CCCN(CC(=O)N(C)C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000153758411 407894747 /nfs/dbraw/zinc/89/47/47/407894747.db2.gz KHCKSYMLTNYFKM-AWEZNQCLSA-N 1 0 309.366 1.428 20 5 DDBDRO C[C@@H]1C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1c1ccccc1 ZINC000245419092 407971702 /nfs/dbraw/zinc/97/17/02/407971702.db2.gz GWEXASAPDQAIKV-WQVCFCJDSA-N 1 0 316.361 1.845 20 5 DDBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C[C@H]1CCCC[C@H]1O ZINC000272451911 407929250 /nfs/dbraw/zinc/92/92/50/407929250.db2.gz CHDQCEJBJNBSJL-TZMCWYRMSA-N 1 0 309.366 1.239 20 5 DDBDRO CC(C)C[N@@H+]1CC[C@H](CNc2ncc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000268188008 407937610 /nfs/dbraw/zinc/93/76/10/407937610.db2.gz DQSHJAHXMZOSKC-LLVKDONJSA-N 1 0 321.381 1.479 20 5 DDBDRO C[N@H+](CCNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000272591137 407998574 /nfs/dbraw/zinc/99/85/74/407998574.db2.gz TUTLAQZWYNICED-UHFFFAOYSA-N 1 0 313.304 1.897 20 5 DDBDRO COC(=O)[C@@H](O)C1CC[NH+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000135373736 408009786 /nfs/dbraw/zinc/00/97/86/408009786.db2.gz PYRPPUGCTDTNHI-ABAIWWIYSA-N 1 0 322.361 1.902 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC000245571837 408018612 /nfs/dbraw/zinc/01/86/12/408018612.db2.gz BWRJNKKFBHSNNV-GXTWGEPZSA-N 1 0 307.350 1.257 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](CC(N)=O)C1 ZINC000175227470 408084454 /nfs/dbraw/zinc/08/44/54/408084454.db2.gz YHOAXYVTQRDGGQ-LLVKDONJSA-N 1 0 307.350 1.691 20 5 DDBDRO COc1cc(OCC(=O)N2CC[NH2+]C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000175391453 408118825 /nfs/dbraw/zinc/11/88/25/408118825.db2.gz BTRCAIRPOASMQG-UHFFFAOYSA-N 1 0 323.349 1.193 20 5 DDBDRO C[C@@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1cnn(C)c1 ZINC000273425657 408194047 /nfs/dbraw/zinc/19/40/47/408194047.db2.gz WKXCVILJHWMMLV-YPMHNXCESA-N 1 0 320.349 1.419 20 5 DDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC[N@@H+](C)C(C)C ZINC000155595521 408186937 /nfs/dbraw/zinc/18/69/37/408186937.db2.gz XVKYHAZPZGGMFB-UHFFFAOYSA-N 1 0 315.395 1.522 20 5 DDBDRO CCc1n[nH]c(C(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000175729247 408188709 /nfs/dbraw/zinc/18/87/09/408188709.db2.gz BYCCSKXKZZMPGR-IUCAKERBSA-N 1 0 307.354 1.235 20 5 DDBDRO CC[N@H+](CCNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000263766884 408248018 /nfs/dbraw/zinc/24/80/18/408248018.db2.gz RYVIKWWHQIPFSS-UHFFFAOYSA-N 1 0 317.349 1.685 20 5 DDBDRO C[C@H](NC(=O)c1[nH]ncc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182822353 408258006 /nfs/dbraw/zinc/25/80/06/408258006.db2.gz PLXJOWNWGVAQCV-QWRGUYRKSA-N 1 0 321.381 1.701 20 5 DDBDRO C[N@H+](CCNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)C1CC1 ZINC000263674484 408200453 /nfs/dbraw/zinc/20/04/53/408200453.db2.gz HAHPWYWZAJOPKU-UHFFFAOYSA-N 1 0 304.350 1.986 20 5 DDBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cc([N+](=O)[O-])c[nH]c3=O)CC[C@@H]21 ZINC000150969470 408235578 /nfs/dbraw/zinc/23/55/78/408235578.db2.gz TVIXZFJGYRUCQB-GWCFXTLKSA-N 1 0 320.349 1.252 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H](C)[C@@H]1CO ZINC000190405216 408236385 /nfs/dbraw/zinc/23/63/85/408236385.db2.gz ROEFFTLLCMCLJV-NHYWBVRUSA-N 1 0 321.377 1.935 20 5 DDBDRO CCCC(=O)NC[C@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176225535 408315534 /nfs/dbraw/zinc/31/55/34/408315534.db2.gz LFIMEOLMMKXXMZ-CYBMUJFWSA-N 1 0 323.397 1.420 20 5 DDBDRO Cc1c(C(=O)N2CCC[C@@H]([NH3+])C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000158246528 408332962 /nfs/dbraw/zinc/33/29/62/408332962.db2.gz VHWTVWAGPCKKEH-SNVBAGLBSA-N 1 0 322.321 1.683 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)c1[N+](=O)[O-] ZINC000269333254 408273898 /nfs/dbraw/zinc/27/38/98/408273898.db2.gz AUCGKSRMPUCEEX-GHMZBOCLSA-N 1 0 323.397 1.900 20 5 DDBDRO C[C@H](CCNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)[NH+]1CCCCC1 ZINC000182917928 408283782 /nfs/dbraw/zinc/28/37/82/408283782.db2.gz RYXFUGOVBPYYQW-LLVKDONJSA-N 1 0 322.365 1.690 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000246850733 408353404 /nfs/dbraw/zinc/35/34/04/408353404.db2.gz FHQKHSPZYMQJET-DGCLKSJQSA-N 1 0 323.397 1.335 20 5 DDBDRO COCCC[N@H+](CCOC)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269673344 408386671 /nfs/dbraw/zinc/38/66/71/408386671.db2.gz OIJYPOMPDYHCHJ-OAHLLOKOSA-N 1 0 312.366 1.613 20 5 DDBDRO C[NH+](C)[C@H]1CCCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000264502051 408514587 /nfs/dbraw/zinc/51/45/87/408514587.db2.gz YFARPEDMWLGIMG-NSHDSACASA-N 1 0 317.349 1.637 20 5 DDBDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1cccc([N+](=O)[O-])c1C ZINC000176913410 408472489 /nfs/dbraw/zinc/47/24/89/408472489.db2.gz LZQFYCGERYJRIZ-ZDUSSCGKSA-N 1 0 323.393 1.990 20 5 DDBDRO C[NH+](C)C[C@H]1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000248439174 408566619 /nfs/dbraw/zinc/56/66/19/408566619.db2.gz CFRFSKWFLCUFAF-ZIAGYGMSSA-N 1 0 323.393 1.218 20 5 DDBDRO C[NH+](C)[C@@H]1CCCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000248455189 408572444 /nfs/dbraw/zinc/57/24/44/408572444.db2.gz KUGGJRGCWGRGGD-ZIAGYGMSSA-N 1 0 323.393 1.361 20 5 DDBDRO CC(C)C[N@@H+]1CCC[C@@H](CNc2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000161317740 408587749 /nfs/dbraw/zinc/58/77/49/408587749.db2.gz OFPVHTSTMMLHCK-NSHDSACASA-N 1 0 308.386 1.747 20 5 DDBDRO CS[C@@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)C[C@H]1[NH+](C)C ZINC000270472332 408541367 /nfs/dbraw/zinc/54/13/67/408541367.db2.gz MASCERNFDFQXOA-ZIAGYGMSSA-N 1 0 323.418 1.641 20 5 DDBDRO CCCc1n[nH]c(C(=O)NC[C@H](C)[N@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000264698902 408544450 /nfs/dbraw/zinc/54/44/50/408544450.db2.gz VVWYBIJBFQBSDC-VIFPVBQESA-N 1 0 309.370 1.483 20 5 DDBDRO CCC[C@H](C)[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000162104885 408672246 /nfs/dbraw/zinc/67/22/46/408672246.db2.gz ZKQVEQRCHRTSPS-NSHDSACASA-N 1 0 315.395 1.651 20 5 DDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C[C@@H](C)[C@H]([NH+](C)C)C1 ZINC000270697580 408641150 /nfs/dbraw/zinc/64/11/50/408641150.db2.gz ZHLLTUYMEROURY-LALPHHSUSA-N 1 0 320.393 1.804 20 5 DDBDRO C[C@H]1CC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@H]1CO ZINC000248910864 408660957 /nfs/dbraw/zinc/66/09/57/408660957.db2.gz IXZDEASTPPHPHQ-FZMZJTMJSA-N 1 0 307.350 1.260 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCCC[C@H]1C(N)=O ZINC000184833247 408698091 /nfs/dbraw/zinc/69/80/91/408698091.db2.gz RANQVERJNIIPIK-OLZOCXBDSA-N 1 0 307.350 1.737 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCCC[C@@H]1C(N)=O ZINC000184833203 408698494 /nfs/dbraw/zinc/69/84/94/408698494.db2.gz RANQVERJNIIPIK-STQMWFEESA-N 1 0 307.350 1.737 20 5 DDBDRO COc1cc(CN2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c([N+](=O)[O-])cc1OC ZINC000194539688 408786632 /nfs/dbraw/zinc/78/66/32/408786632.db2.gz PWZOSBOVOWJVID-BETUJISGSA-N 1 0 321.377 1.605 20 5 DDBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000185311532 408794719 /nfs/dbraw/zinc/79/47/19/408794719.db2.gz DPTKGNYWVGRBSF-LLVKDONJSA-N 1 0 321.381 1.280 20 5 DDBDRO C[C@@H]([NH2+]CC(=O)N1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000178068697 408768148 /nfs/dbraw/zinc/76/81/48/408768148.db2.gz JVZRSLXNAMRVDA-GFCCVEGCSA-N 1 0 306.366 1.019 20 5 DDBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000285902560 408886127 /nfs/dbraw/zinc/88/61/27/408886127.db2.gz CYTNPKTUJGWSKR-JRPNMDOOSA-N 1 0 307.350 1.476 20 5 DDBDRO C[C@@H]1COCC[C@H]1[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000277316234 408917953 /nfs/dbraw/zinc/91/79/53/408917953.db2.gz DEMGXZVWAOZARN-UXIGCNINSA-N 1 0 310.350 1.349 20 5 DDBDRO C[C@@H]1COCC[C@@H]1[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000277316222 408918494 /nfs/dbraw/zinc/91/84/94/408918494.db2.gz DEMGXZVWAOZARN-KYOSRNDESA-N 1 0 310.350 1.349 20 5 DDBDRO C[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2)CC[N@@H+]1CC(C)(C)O ZINC000189881895 163123207 /nfs/dbraw/zinc/12/32/07/163123207.db2.gz LYTPFWYFHASZGP-CYBMUJFWSA-N 1 0 307.394 1.872 20 5 DDBDRO COCCN1CCCN([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1=O ZINC000190771212 163158509 /nfs/dbraw/zinc/15/85/09/163158509.db2.gz OSVDXAKRQYPMSN-ZDUSSCGKSA-N 1 0 321.377 1.837 20 5 DDBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN2CCC1CC2 ZINC000191080224 163170694 /nfs/dbraw/zinc/17/06/94/163170694.db2.gz VOOLJULHKJJKTI-UHFFFAOYSA-N 1 0 311.363 1.064 20 5 DDBDRO CO[C@@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000281842917 408940406 /nfs/dbraw/zinc/94/04/06/408940406.db2.gz YPJZGIBJCQSNMP-ZWNOBZJWSA-N 1 0 307.350 1.693 20 5 DDBDRO Cc1nn(C)c(N2CC([N@H+](C)Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000286296834 408957691 /nfs/dbraw/zinc/95/76/91/408957691.db2.gz JFNPWRZQJYGONI-UHFFFAOYSA-N 1 0 315.377 1.957 20 5 DDBDRO CC[N@@H+]1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000286380129 408974159 /nfs/dbraw/zinc/97/41/59/408974159.db2.gz GQCPNUWKIGOSSU-DZGCQCFKSA-N 1 0 323.393 1.361 20 5 DDBDRO COCC[N@@H+]1CC[C@@H](NC(=O)c2c(C)cccc2[N+](=O)[O-])C1 ZINC000277926118 409036066 /nfs/dbraw/zinc/03/60/66/409036066.db2.gz HJITYOKZFJMPDL-GFCCVEGCSA-N 1 0 307.350 1.354 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC1([S@](C)=O)CC1 ZINC000282338658 409036818 /nfs/dbraw/zinc/03/68/18/409036818.db2.gz LYTIPSVSKSQEIA-NRFANRHFSA-N 1 0 312.391 1.994 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H](C)C[NH+](C)C ZINC000293187876 409064627 /nfs/dbraw/zinc/06/46/27/409064627.db2.gz NMVNWDFEDDNXAA-SNVBAGLBSA-N 1 0 322.365 1.156 20 5 DDBDRO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000293348111 409095883 /nfs/dbraw/zinc/09/58/83/409095883.db2.gz JVKUNBLDPVIUAQ-JOYOIKCWSA-N 1 0 315.333 1.295 20 5 DDBDRO C[C@H]([NH2+]CCCN1CCOCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293628305 409150092 /nfs/dbraw/zinc/15/00/92/409150092.db2.gz HIYZEHGJDCTADA-LBPRGKRZSA-N 1 0 308.382 1.550 20 5 DDBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000279446512 409216956 /nfs/dbraw/zinc/21/69/56/409216956.db2.gz NRHMQZADNJBODE-SNVBAGLBSA-N 1 0 324.356 1.872 20 5 DDBDRO C[C@@H]1CN(C(=O)CCOc2ccccc2[N+](=O)[O-])C[C@H](C)[N@H+]1C ZINC000294042200 409231559 /nfs/dbraw/zinc/23/15/59/409231559.db2.gz SMRZAQOEGHFFAJ-BETUJISGSA-N 1 0 321.377 1.915 20 5 DDBDRO CN1CCO[C@@H](C(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000294057847 409231969 /nfs/dbraw/zinc/23/19/69/409231969.db2.gz JXANCFLZBHABKX-CYBMUJFWSA-N 1 0 307.350 1.277 20 5 DDBDRO O=CN1CCC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000294163985 409252262 /nfs/dbraw/zinc/25/22/62/409252262.db2.gz IPTOKVWJNZHAQS-UHFFFAOYSA-N 1 0 320.349 1.088 20 5 DDBDRO CC(C)(C)[C@@H](O)C[C@H](CO)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000284084910 409272042 /nfs/dbraw/zinc/27/20/42/409272042.db2.gz RGNUAZYRRXVXCJ-MNOVXSKESA-N 1 0 302.396 1.904 20 5 DDBDRO Cc1ccc(NCCCNC(=O)[C@@H](C)[NH2+]C2CC2)c([N+](=O)[O-])c1 ZINC000295142437 409341914 /nfs/dbraw/zinc/34/19/14/409341914.db2.gz IWTITNJJNMQBQQ-GFCCVEGCSA-N 1 0 320.393 1.962 20 5 DDBDRO Cc1cc(OCC(=O)N2CC[C@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000280548309 409352571 /nfs/dbraw/zinc/35/25/71/409352571.db2.gz MQXQAKSXBLTQAK-LBPRGKRZSA-N 1 0 307.350 1.445 20 5 DDBDRO Cc1n[nH]c(C(=O)N[C@H](C)C[NH+]2CCCCCC2)c1[N+](=O)[O-] ZINC000331466227 409541554 /nfs/dbraw/zinc/54/15/54/409541554.db2.gz HKBDDZUVOVDWRM-SNVBAGLBSA-N 1 0 309.370 1.621 20 5 DDBDRO Cn1cc(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cn1 ZINC000331550679 409627232 /nfs/dbraw/zinc/62/72/32/409627232.db2.gz GWTFUSHYSFRFNC-CHWSQXEVSA-N 1 0 304.354 1.798 20 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/nfs/dbraw/zinc/92/55/19/409925519.db2.gz QQGLRTDUZREDNW-LBPRGKRZSA-N 1 0 310.402 1.014 20 5 DDBDRO CC[N@@H+]1CC[C@H]2OCCN(c3nc(C)cc(C)c3[N+](=O)[O-])[C@@H]2C1 ZINC000338734769 410034075 /nfs/dbraw/zinc/03/40/75/410034075.db2.gz SZHZXKIUGRLADI-ZIAGYGMSSA-N 1 0 320.393 1.906 20 5 DDBDRO C[N@H+](C[C@H](O)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1)C1CC1 ZINC000357457929 410051937 /nfs/dbraw/zinc/05/19/37/410051937.db2.gz WSCRCDGBGZIOJR-INIZCTEOSA-N 1 0 316.361 1.913 20 5 DDBDRO Cc1cccc(C(=O)N2CCN(CC[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000193156803 306726542 /nfs/dbraw/zinc/72/65/42/306726542.db2.gz YSNIWJWWSKEMIR-UHFFFAOYSA-N 1 0 320.393 1.223 20 5 DDBDRO COc1c(C(=O)NCC[N@H+]2CC=CCC2)cccc1[N+](=O)[O-] ZINC000357636366 410153442 /nfs/dbraw/zinc/15/34/42/410153442.db2.gz QEABSUIHDPOBSX-UHFFFAOYSA-N 1 0 305.334 1.595 20 5 DDBDRO Cc1c(C(=O)NC[C@H](C)[NH+](C)C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000298346882 410190548 /nfs/dbraw/zinc/19/05/48/410190548.db2.gz KNGMSGREHVISBC-QMMMGPOBSA-N 1 0 310.310 1.491 20 5 DDBDRO C[C@@H]1C[N@@H+](CCCNC(=O)c2ccc([N+](=O)[O-])[nH]2)C[C@H](C)O1 ZINC000298842987 410420061 /nfs/dbraw/zinc/42/00/61/410420061.db2.gz IMKLYGUKAZJWAE-PHIMTYICSA-N 1 0 310.354 1.152 20 5 DDBDRO C[N@@H+]1CC[C@@H](CNC(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000347196001 410383369 /nfs/dbraw/zinc/38/33/69/410383369.db2.gz AVTHKQBOZCDTJZ-LBPRGKRZSA-N 1 0 307.350 1.432 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1CCC[N@H+](C)[C@@H]1C ZINC000343444155 410458798 /nfs/dbraw/zinc/45/87/98/410458798.db2.gz BACASZCRRBFRGP-ZYHUDNBSSA-N 1 0 309.370 1.089 20 5 DDBDRO COCC[N@H+](C)CCNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000339759399 410443337 /nfs/dbraw/zinc/44/33/37/410443337.db2.gz ZEMSGDWNZBFYSL-UHFFFAOYSA-N 1 0 323.393 1.567 20 5 DDBDRO COC(=O)COc1ccc(C[N@@H+]2CC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000355602898 410601503 /nfs/dbraw/zinc/60/15/03/410601503.db2.gz WHZWUSXATYUURM-LLVKDONJSA-N 1 0 308.334 1.988 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NCC[N@@H+]1CCCC(C)(C)C1 ZINC000347425392 410541982 /nfs/dbraw/zinc/54/19/82/410541982.db2.gz HXYNXDWBQXWLBB-UHFFFAOYSA-N 1 0 323.397 1.338 20 5 DDBDRO CC[N@@H+]1CCC[C@@H]1CNc1ncnc2cccc([N+](=O)[O-])c21 ZINC000347438909 410546101 /nfs/dbraw/zinc/54/61/01/410546101.db2.gz WXJXEDILFBPVLY-LLVKDONJSA-N 1 0 301.350 2.434 20 5 DDBDRO C[N@@H+]1CCC[C@H](N2CCN(c3cccc(F)c3[N+](=O)[O-])CC2)C1 ZINC000301285355 410689758 /nfs/dbraw/zinc/68/97/58/410689758.db2.gz LNMLZXQKTZWBOO-ZDUSSCGKSA-N 1 0 322.384 1.950 20 5 DDBDRO C[N@@H+]1CCC[C@H](N2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000301310487 410695484 /nfs/dbraw/zinc/69/54/84/410695484.db2.gz ZRFOBRKCJCYHBM-AWEZNQCLSA-N 1 0 304.394 1.811 20 5 DDBDRO COc1ccc(C[NH2+][C@H](CCO)C2CCOCC2)cc1[N+](=O)[O-] ZINC000359576475 410743762 /nfs/dbraw/zinc/74/37/62/410743762.db2.gz OGHHMTGPAZQAFN-CQSZACIVSA-N 1 0 324.377 1.871 20 5 DDBDRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000330534945 410756807 /nfs/dbraw/zinc/75/68/07/410756807.db2.gz RIGMPZRAQGQFKJ-LBPRGKRZSA-N 1 0 324.381 1.020 20 5 DDBDRO COC(=O)c1cnc(NC2CC[NH+](C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000302754681 410858119 /nfs/dbraw/zinc/85/81/19/410858119.db2.gz IGWBAACOWLMYFQ-UHFFFAOYSA-N 1 0 320.349 1.815 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1C[C@H]([NH+](C)C)[C@@H](C)C1 ZINC000330664977 410859407 /nfs/dbraw/zinc/85/94/07/410859407.db2.gz ZHFHMBCZKATCPA-JSGCOSHPSA-N 1 0 320.393 1.724 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[N@H+](C)C[C@@H]1C ZINC000330664889 410860806 /nfs/dbraw/zinc/86/08/06/410860806.db2.gz GSBIUPYNXNFQJF-NSHDSACASA-N 1 0 322.365 1.178 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1C[C@@H](C)[C@@H]([NH+](C)C)C1 ZINC000330664978 410860910 /nfs/dbraw/zinc/86/09/10/410860910.db2.gz ZHFHMBCZKATCPA-OCCSQVGLSA-N 1 0 320.393 1.724 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[N@@H+](C)C[C@@H]1C ZINC000330680326 410873320 /nfs/dbraw/zinc/87/33/20/410873320.db2.gz YLXIWHRSGMWGIC-ZDUSSCGKSA-N 1 0 320.393 1.868 20 5 DDBDRO Cn1ccnc1[C@@H](NCC[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000348436391 410965443 /nfs/dbraw/zinc/96/54/43/410965443.db2.gz XAPVYDDDEMQCPJ-AWEZNQCLSA-N 1 0 303.366 1.569 20 5 DDBDRO Cc1cc(OCC(=O)N2C[C@H](C)[N@@H+](C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000331208985 411021075 /nfs/dbraw/zinc/02/10/75/411021075.db2.gz WHJBVOMOGOBAQI-QWHCGFSZSA-N 1 0 321.377 1.833 20 5 DDBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000580052061 422877159 /nfs/dbraw/zinc/87/71/59/422877159.db2.gz CRRGUXVCJFOUOV-LSDHHAIUSA-N 1 0 318.377 1.782 20 5 DDBDRO CC(C)(C)N1CC[C@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1=O ZINC001120559201 782023190 /nfs/dbraw/zinc/02/31/90/782023190.db2.gz PDYWSSFQRWSUIO-KBPBESRZSA-N 1 0 321.377 1.617 20 5 DDBDRO CO[C@@H]1[C@H](C)[C@@H]([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)C1(C)C ZINC000295833050 225289716 /nfs/dbraw/zinc/28/97/16/225289716.db2.gz CSJPTCWKYDKNJH-LERXQTSPSA-N 1 0 309.366 1.406 20 5 DDBDRO C[C@H]([NH3+])C1CCN(C(=O)NCCc2ccccc2[N+](=O)[O-])CC1 ZINC000417773188 225434619 /nfs/dbraw/zinc/43/46/19/225434619.db2.gz WPHGQCFMYKNSOS-LBPRGKRZSA-N 1 0 320.393 1.906 20 5 DDBDRO O=[N+]([O-])c1ccc(-c2noc(N3C[C@H]4C[NH2+]C[C@H]4C3)n2)cc1 ZINC000420240142 226445050 /nfs/dbraw/zinc/44/50/50/226445050.db2.gz JYCZROPTHNDYPU-PHIMTYICSA-N 1 0 301.306 1.300 20 5 DDBDRO O=C(CN1CCC2(CC[NH2+]2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000422635986 227082898 /nfs/dbraw/zinc/08/28/98/227082898.db2.gz MJYMJDPXXFITPH-UHFFFAOYSA-N 1 0 304.350 1.361 20 5 DDBDRO NC(=O)C1([NH2+]CCOc2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000177124645 221841512 /nfs/dbraw/zinc/84/15/12/221841512.db2.gz CJECIVVCORQNQQ-UHFFFAOYSA-N 1 0 307.350 1.751 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@@H](CO)c1ccccc1 ZINC000183657918 418520535 /nfs/dbraw/zinc/52/05/35/418520535.db2.gz NVJAKIZINGQKRX-AWEZNQCLSA-N 1 0 303.318 1.080 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH+]3CCC2CC3)c1 ZINC000374849321 418569472 /nfs/dbraw/zinc/56/94/72/418569472.db2.gz BYAOTDLBFKNCNL-UHFFFAOYSA-N 1 0 319.361 1.914 20 5 DDBDRO C[C@H]([NH3+])CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000194891183 418550417 /nfs/dbraw/zinc/55/04/17/418550417.db2.gz XTNBNHZLOSKYGU-ZETCQYMHSA-N 1 0 316.155 1.363 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)NCCC[N@@H+]2CCCC[C@@H]2C)n1 ZINC000191758236 222108951 /nfs/dbraw/zinc/10/89/51/222108951.db2.gz XMAHFNPZSNKWDS-LBPRGKRZSA-N 1 0 323.397 1.806 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)n1 ZINC000191842518 222109921 /nfs/dbraw/zinc/10/99/21/222109921.db2.gz LAXKJRAHLXQQOY-GFCCVEGCSA-N 1 0 323.397 1.519 20 5 DDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000361083383 418580178 /nfs/dbraw/zinc/58/01/78/418580178.db2.gz XXNLZYURXWSJLE-LSDHHAIUSA-N 1 0 303.362 1.642 20 5 DDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000375068865 418598804 /nfs/dbraw/zinc/59/88/04/418598804.db2.gz PSWWBSSWWJLRDV-ZDUSSCGKSA-N 1 0 318.377 1.877 20 5 DDBDRO C[NH+](C)[C@H](CNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1)C1CC1 ZINC000342000642 418627162 /nfs/dbraw/zinc/62/71/62/418627162.db2.gz CCGNDWAJLQEIOE-CYBMUJFWSA-N 1 0 317.349 1.996 20 5 DDBDRO COc1ccc(OCC[N@@H+]2CC[C@@H](CC(N)=O)C2)c([N+](=O)[O-])c1 ZINC000367982416 418668373 /nfs/dbraw/zinc/66/83/73/418668373.db2.gz JEHRQCUPTWCVQO-NSHDSACASA-N 1 0 323.349 1.180 20 5 DDBDRO CC(C)C[N@@H+]1CCCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000375720846 418675932 /nfs/dbraw/zinc/67/59/32/418675932.db2.gz STEMPIVLYGMUAE-UHFFFAOYSA-N 1 0 322.365 1.499 20 5 DDBDRO C[NH+](C)C[C@@](C)(O)CNc1nccc2cc([N+](=O)[O-])ccc21 ZINC000297417093 227138732 /nfs/dbraw/zinc/13/87/32/227138732.db2.gz GWVYUMJQERIQEW-HNNXBMFYSA-N 1 0 304.350 1.868 20 5 DDBDRO O=[N+]([O-])c1ccn(C2CCN(CC[NH+]3CCCCC3)CC2)n1 ZINC000365507153 418868825 /nfs/dbraw/zinc/86/88/25/418868825.db2.gz GPSWAAKSHYPRPJ-UHFFFAOYSA-N 1 0 307.398 1.914 20 5 DDBDRO CC[C@@H](C)NC(=O)[C@H](C)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365513285 418870313 /nfs/dbraw/zinc/87/03/13/418870313.db2.gz PAEQSLVSENGZSY-NEPJUHHUSA-N 1 0 323.397 1.731 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1CN1CCC(C2CCOCC2)CC1 ZINC000372728017 418896338 /nfs/dbraw/zinc/89/63/38/418896338.db2.gz QTPSCXCYIFKNJB-UHFFFAOYSA-N 1 0 308.382 1.967 20 5 DDBDRO Cc1c([C@H](C)[NH2+][C@H]2CCC(=O)N(C)C2=O)cccc1[N+](=O)[O-] ZINC000424314461 228258000 /nfs/dbraw/zinc/25/80/00/228258000.db2.gz KQAUJJZHRAVJJS-JQWIXIFHSA-N 1 0 305.334 1.701 20 5 DDBDRO COC1([C@H](C)[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCC1 ZINC000412023627 419570884 /nfs/dbraw/zinc/57/08/84/419570884.db2.gz XZXQWMQJULOZJB-JSGCOSHPSA-N 1 0 324.377 1.882 20 5 DDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCc2nnnn2CC1 ZINC000421400141 419597707 /nfs/dbraw/zinc/59/77/07/419597707.db2.gz RQAMCTQAJCFNEF-AAEUAGOBSA-N 1 0 316.365 1.507 20 5 DDBDRO C[NH2+]C[C@@H](C)CNC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000418401225 419778259 /nfs/dbraw/zinc/77/82/59/419778259.db2.gz YMFOHOGKIVVDOV-LLVKDONJSA-N 1 0 322.365 1.223 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCC1(O)CC[NH+](C)CC1 ZINC000421780318 419724948 /nfs/dbraw/zinc/72/49/48/419724948.db2.gz RTXBVRXXIWDWPK-UHFFFAOYSA-N 1 0 321.377 1.398 20 5 DDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000428037165 419796151 /nfs/dbraw/zinc/79/61/51/419796151.db2.gz YJHAMCITFGMLPF-TYNCELHUSA-N 1 0 318.377 1.606 20 5 DDBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CC[NH2+]C[C@H]1C ZINC000414948171 419887366 /nfs/dbraw/zinc/88/73/66/419887366.db2.gz XWMKGLSEEIGUCZ-LALPHHSUSA-N 1 0 320.393 1.900 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NCCCC[NH+]1CCOCC1 ZINC000299626872 229275691 /nfs/dbraw/zinc/27/56/91/229275691.db2.gz LADUSNSEYNOBAA-UHFFFAOYSA-N 1 0 321.377 1.745 20 5 DDBDRO C[NH+](C)C[C@@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000435220165 229361795 /nfs/dbraw/zinc/36/17/95/229361795.db2.gz LTAVWVVCAQPMMN-VIFPVBQESA-N 1 0 319.408 1.371 20 5 DDBDRO O=[N+]([O-])c1ccc(-c2ccc(CNC[C@H]3C[NH2+]CCO3)o2)cc1 ZINC000415096420 419940237 /nfs/dbraw/zinc/94/02/37/419940237.db2.gz PTEWGVXIPQHWRK-OAHLLOKOSA-N 1 0 317.345 1.933 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CCCO[C@H](C[NH3+])C1 ZINC000415115638 419952334 /nfs/dbraw/zinc/95/23/34/419952334.db2.gz VCEQYNSZWVPSFP-CQSZACIVSA-N 1 0 309.366 1.543 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@H](C)[NH2+]C[C@H]1C ZINC000415508110 420095083 /nfs/dbraw/zinc/09/50/83/420095083.db2.gz ULQKNQRRQJYYGU-VHSXEESVSA-N 1 0 308.338 1.818 20 5 DDBDRO COc1cc(C(=O)N[C@H]2CCC[NH2+][C@@H]2C)cc([N+](=O)[O-])c1C ZINC000423616317 420100017 /nfs/dbraw/zinc/10/00/17/420100017.db2.gz RWAZAQUNEMVERQ-PWSUYJOCSA-N 1 0 307.350 1.782 20 5 DDBDRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)Nc3cc(F)cc([N+](=O)[O-])c3)C[C@H]12 ZINC000415636720 420131033 /nfs/dbraw/zinc/13/10/33/420131033.db2.gz YJEOYJUVYJTGQF-AQUOVQTQSA-N 1 0 308.313 1.935 20 5 DDBDRO Cc1cc(NCC[C@@H](C)[NH3+])nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000420154418 420136083 /nfs/dbraw/zinc/13/60/83/420136083.db2.gz IPOFYHZNFDKJMZ-SNVBAGLBSA-N 1 0 301.350 1.931 20 5 DDBDRO COc1ccc(NC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000415452605 420072453 /nfs/dbraw/zinc/07/24/53/420072453.db2.gz YQFAPEQUFVSULY-NXEZZACHSA-N 1 0 308.338 1.995 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000423533045 420075219 /nfs/dbraw/zinc/07/52/19/420075219.db2.gz WMIKUMPAONSBRM-GDLCADMTSA-N 1 0 319.361 1.803 20 5 DDBDRO CCO[C@@H]1COCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1OC ZINC000430206037 420089441 /nfs/dbraw/zinc/08/94/41/420089441.db2.gz VNVZUMZRCBOEPX-UKRRQHHQSA-N 1 0 310.350 1.887 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1CN1CC[NH+](CC(C)(C)O)CC1 ZINC000430211828 420090316 /nfs/dbraw/zinc/09/03/16/420090316.db2.gz BBVICLQCHMIMTH-UHFFFAOYSA-N 1 0 323.393 1.492 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000415500927 420092147 /nfs/dbraw/zinc/09/21/47/420092147.db2.gz MDWOWMHVAFPSAP-GXSJLCMTSA-N 1 0 308.338 1.723 20 5 DDBDRO COC(=O)c1cc(NC[C@@H]2C[NH2+]CCN2C)cc(C)c1[N+](=O)[O-] ZINC000420281347 420181614 /nfs/dbraw/zinc/18/16/14/420181614.db2.gz VPVCUYZDJDYIDB-LBPRGKRZSA-N 1 0 322.365 1.005 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000430958974 420223485 /nfs/dbraw/zinc/22/34/85/420223485.db2.gz VFFOBHJZKQVZPO-AAEUAGOBSA-N 1 0 306.366 1.511 20 5 DDBDRO Cc1nc(N2CCC([N@H+]3CCO[C@@H](C)C3)CC2)ccc1[N+](=O)[O-] ZINC000301659662 229804978 /nfs/dbraw/zinc/80/49/78/229804978.db2.gz TWNSYRMWLSPTLW-LBPRGKRZSA-N 1 0 320.393 1.988 20 5 DDBDRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000420375163 420245116 /nfs/dbraw/zinc/24/51/16/420245116.db2.gz SSIHHPBKSPFSLJ-UEKVPHQBSA-N 1 0 306.366 1.509 20 5 DDBDRO [NH3+][C@@H]1CN(CCn2ccc([N+](=O)[O-])n2)C[C@H]1c1ccccc1F ZINC000420386879 420255612 /nfs/dbraw/zinc/25/56/12/420255612.db2.gz JJKSRGNLDSHDJH-GXTWGEPZSA-N 1 0 319.340 1.357 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@@H](C)CCC[NH3+])c1 ZINC000420437872 420287974 /nfs/dbraw/zinc/28/79/74/420287974.db2.gz KJABXKLAWSTVEW-JTQLQIEISA-N 1 0 315.395 1.617 20 5 DDBDRO NC(=O)c1cccc([N+](=O)[O-])c1N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000420605167 420328941 /nfs/dbraw/zinc/32/89/41/420328941.db2.gz UGWWKHOTOIFLHF-GFCCVEGCSA-N 1 0 318.377 1.616 20 5 DDBDRO CN(CCC[NH+]1CCCC1)c1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420626507 420335604 /nfs/dbraw/zinc/33/56/04/420335604.db2.gz MOJVEHPYRSAVMC-UHFFFAOYSA-N 1 0 306.366 1.616 20 5 DDBDRO C[NH+](C)CCS[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000446569213 230279646 /nfs/dbraw/zinc/27/96/46/230279646.db2.gz LFHHZJPESHMJBC-CYBMUJFWSA-N 1 0 309.391 1.995 20 5 DDBDRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000417768693 420473749 /nfs/dbraw/zinc/47/37/49/420473749.db2.gz RUQBPYYYRWKEEN-YPMHNXCESA-N 1 0 306.366 1.435 20 5 DDBDRO CC(C)C[C@H](C[NH3+])NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000417769272 420474452 /nfs/dbraw/zinc/47/44/52/420474452.db2.gz SGZAXPCCEMIIOH-CYBMUJFWSA-N 1 0 308.382 1.810 20 5 DDBDRO CCC[N@H+](C)C[C@@H]1CCN(c2cccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000439163691 420482844 /nfs/dbraw/zinc/48/28/44/420482844.db2.gz SYJUZZKADIOSDK-LBPRGKRZSA-N 1 0 320.393 1.862 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1C[C@@H](C[NH3+])C[C@@H]1C ZINC000442791003 420715111 /nfs/dbraw/zinc/71/51/11/420715111.db2.gz MYKHBLNOFQWVGK-NWDGAFQWSA-N 1 0 306.366 1.511 20 5 DDBDRO CNC(=O)CCC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447529673 420779395 /nfs/dbraw/zinc/77/93/95/420779395.db2.gz MOPMKGKAQPALON-NEPJUHHUSA-N 1 0 309.370 1.391 20 5 DDBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3C[C@H](CO)[C@H](O)C3)o2)cc1 ZINC000459718021 420856396 /nfs/dbraw/zinc/85/63/96/420856396.db2.gz XHCSYBPJSKIOHS-IUODEOHRSA-N 1 0 318.329 1.640 20 5 DDBDRO CC[C@@H]1OCC[C@H]1[NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000459783721 420871625 /nfs/dbraw/zinc/87/16/25/420871625.db2.gz VUEKIKJQVXAMIF-OCCSQVGLSA-N 1 0 307.350 1.999 20 5 DDBDRO CCOC(=O)[C@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])CC12COC2 ZINC000449355950 420995795 /nfs/dbraw/zinc/99/57/95/420995795.db2.gz ALSZDKBBTFKIBP-CYBMUJFWSA-N 1 0 320.345 1.606 20 5 DDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCCN1CCCO ZINC000449385833 421001797 /nfs/dbraw/zinc/00/17/97/421001797.db2.gz GVKNBPFMVLSPEX-GOEBONIOSA-N 1 0 321.421 1.962 20 5 DDBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCCCN2CCO)c(F)c1 ZINC000449394343 421003908 /nfs/dbraw/zinc/00/39/08/421003908.db2.gz NTLPDSHHHAJCSZ-AWEZNQCLSA-N 1 0 311.357 1.670 20 5 DDBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(NC)n2)C1 ZINC000455818477 421065941 /nfs/dbraw/zinc/06/59/41/421065941.db2.gz MGXQEPGMZSMXNO-NSHDSACASA-N 1 0 321.381 1.445 20 5 DDBDRO Cc1ccc(S(=O)(=O)NCCC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000489084408 421134670 /nfs/dbraw/zinc/13/46/70/421134670.db2.gz BFGNQTSZIGJVBH-UHFFFAOYSA-N 1 0 301.368 1.133 20 5 DDBDRO C[C@H]1CC[N@H+](CCNC(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000524776430 421270931 /nfs/dbraw/zinc/27/09/31/421270931.db2.gz DZSBPPOVUJPDPN-LBPRGKRZSA-N 1 0 307.350 1.432 20 5 DDBDRO CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000548125581 421404870 /nfs/dbraw/zinc/40/48/70/421404870.db2.gz XLDPXAYESZUCKX-CYBMUJFWSA-N 1 0 323.397 1.514 20 5 DDBDRO COC1(CC[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCC1 ZINC000562998275 421435995 /nfs/dbraw/zinc/43/59/95/421435995.db2.gz DUOZQXWRXDXSMF-CQSZACIVSA-N 1 0 324.377 1.883 20 5 DDBDRO COC(=O)CC1([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000563222528 421474447 /nfs/dbraw/zinc/47/44/47/421474447.db2.gz WYOHTSLAXSXDCM-NSHDSACASA-N 1 0 324.333 1.020 20 5 DDBDRO CC1(C)CCC[NH2+][C@@H]1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000515053398 421475498 /nfs/dbraw/zinc/47/54/98/421475498.db2.gz XUJLEOFQWQRAHU-CQSZACIVSA-N 1 0 321.377 1.868 20 5 DDBDRO C[C@@H](C(=O)NCCN1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000515115378 421479479 /nfs/dbraw/zinc/47/94/79/421479479.db2.gz ZBACSFLREWUQDJ-GFCCVEGCSA-N 1 0 307.350 1.147 20 5 DDBDRO C[C@@H]1CN(CCN2CCc3c(cccc3[N+](=O)[O-])C2)CCO1 ZINC000564058983 421566727 /nfs/dbraw/zinc/56/67/27/421566727.db2.gz VPGLWPNXDQXJBS-CYBMUJFWSA-N 1 0 305.378 1.674 20 5 DDBDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000531633385 421640730 /nfs/dbraw/zinc/64/07/30/421640730.db2.gz NSUPXZBNLWTDIF-CYBMUJFWSA-N 1 0 322.365 1.076 20 5 DDBDRO COCC1(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCC1 ZINC000570390047 421643213 /nfs/dbraw/zinc/64/32/13/421643213.db2.gz GAXKCBVPBRWQPN-CYBMUJFWSA-N 1 0 324.377 1.741 20 5 DDBDRO C[C@H]([NH3+])c1ccc(C(=O)NCCn2cc([N+](=O)[O-])cn2)cc1 ZINC000570563612 421653945 /nfs/dbraw/zinc/65/39/45/421653945.db2.gz KRGLYANKLSVYBQ-JTQLQIEISA-N 1 0 303.322 1.241 20 5 DDBDRO CC[C@H]1C[N@H+](C)CCN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000517214014 421600100 /nfs/dbraw/zinc/60/01/00/421600100.db2.gz HKYSAFNLDVCULA-LBPRGKRZSA-N 1 0 306.366 1.559 20 5 DDBDRO COCC[C@@]1([NH2+]Cc2cc([N+](=O)[O-])ccc2OC)CCOC1 ZINC000519623079 421708830 /nfs/dbraw/zinc/70/88/30/421708830.db2.gz ADIWWMUKBSOEQF-OAHLLOKOSA-N 1 0 310.350 1.889 20 5 DDBDRO CCCN(CCC[NH+](C)C)C(=O)c1ccnc(NC)c1[N+](=O)[O-] ZINC000572899218 421881856 /nfs/dbraw/zinc/88/18/56/421881856.db2.gz WQIWIOHZVDJVKK-UHFFFAOYSA-N 1 0 323.397 1.835 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C[C@@H]2CCCOC2)c1 ZINC000559604916 421836159 /nfs/dbraw/zinc/83/61/59/421836159.db2.gz GOWLWBJCQYMFCG-JSGCOSHPSA-N 1 0 310.350 1.351 20 5 DDBDRO O=C(CC[NH2+]CC[C@@H]1CCOC1)Nc1ccccc1[N+](=O)[O-] ZINC000575258600 422281861 /nfs/dbraw/zinc/28/18/61/422281861.db2.gz MQMIDDWWZTVMHS-GFCCVEGCSA-N 1 0 307.350 1.940 20 5 DDBDRO C[N@H+](CCNc1ccc(N)c([N+](=O)[O-])n1)Cc1ccc(F)cc1 ZINC000596151102 422366334 /nfs/dbraw/zinc/36/63/34/422366334.db2.gz NMMLZVYNZVROEV-UHFFFAOYSA-N 1 0 319.340 2.255 20 5 DDBDRO CC(C)(NC(=O)C[NH2+]C[C@@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000236660077 263555421 /nfs/dbraw/zinc/55/54/21/263555421.db2.gz PZHMXMZEQWWKSP-AWEZNQCLSA-N 1 0 321.377 1.715 20 5 DDBDRO Cc1cc(S(=O)(=O)N2CC[C@H]([NH3+])C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000237537121 263580818 /nfs/dbraw/zinc/58/08/18/263580818.db2.gz OGMRRVIDTRSJOW-QWRGUYRKSA-N 1 0 313.379 1.404 20 5 DDBDRO C[C@H]1CCCN(C(=O)CCNc2ccccc2[N+](=O)[O-])[C@@H]1C[NH3+] ZINC000237688989 263584238 /nfs/dbraw/zinc/58/42/38/263584238.db2.gz CDDWNUGQLQPEGL-SWLSCSKDSA-N 1 0 320.393 1.983 20 5 DDBDRO [NH3+]C[C@H]1CCCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000237861130 263589772 /nfs/dbraw/zinc/58/97/72/263589772.db2.gz UDWBLRJUEBXUOG-GFCCVEGCSA-N 1 0 313.379 1.095 20 5 DDBDRO CNc1ccc(C(=O)NCC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000315393689 271012941 /nfs/dbraw/zinc/01/29/41/271012941.db2.gz IVMGBZLGQGMSHW-UHFFFAOYSA-N 1 0 306.366 1.708 20 5 DDBDRO O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCC[NH+]1CCC(O)CC1 ZINC000321420983 271028089 /nfs/dbraw/zinc/02/80/89/271028089.db2.gz LBQDQHDETIJUFT-SNAWJCMRSA-N 1 0 319.361 1.181 20 5 DDBDRO CO[C@H](C)[C@@H](C)[NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000341474286 271086108 /nfs/dbraw/zinc/08/61/08/271086108.db2.gz DUVLAODOPVRKNJ-GYSYKLTISA-N 1 0 307.350 1.713 20 5 DDBDRO C[C@@H](O)C[C@@H](C)NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000341635462 271148921 /nfs/dbraw/zinc/14/89/21/271148921.db2.gz RDQFXAQHJGTQIC-GHMZBOCLSA-N 1 0 318.333 1.670 20 5 DDBDRO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000344575255 272064181 /nfs/dbraw/zinc/06/41/81/272064181.db2.gz RPUHJPJAFWORCG-UHFFFAOYSA-N 1 0 306.366 1.871 20 5 DDBDRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000345923101 272366309 /nfs/dbraw/zinc/36/63/09/272366309.db2.gz QJPUVYDDXVDPQP-CHWSQXEVSA-N 1 0 320.393 1.996 20 5 DDBDRO COCc1cc([N+](=O)[O-])ccc1N1CCC[N@H+](CCO)CC1 ZINC000175093914 274053136 /nfs/dbraw/zinc/05/31/36/274053136.db2.gz UJGUIXXOCSCTMB-UHFFFAOYSA-N 1 0 309.366 1.246 20 5 DDBDRO [NH3+]CC[C@H]1CCCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000415679665 274946695 /nfs/dbraw/zinc/94/66/95/274946695.db2.gz QDEDUPXAPIRGHB-LLVKDONJSA-N 1 0 320.349 1.121 20 5 DDBDRO Nc1ccc([N+](=O)[O-])c(N2CC[NH+](C3CCOCC3)CC2)c1 ZINC000193463782 274964890 /nfs/dbraw/zinc/96/48/90/274964890.db2.gz JUVMPRZTZQSBSZ-UHFFFAOYSA-N 1 0 306.366 1.478 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC[C@@H]2C[N@H+]2CCC[C@@H]2CO)nc1 ZINC000301526269 275036286 /nfs/dbraw/zinc/03/62/86/275036286.db2.gz JFGYDYIJSBVXJC-ZIAGYGMSSA-N 1 0 306.366 1.415 20 5 DDBDRO CC(C)([NH3+])CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000236633798 275551927 /nfs/dbraw/zinc/55/19/27/275551927.db2.gz RBGRUHBJUWZMCQ-UHFFFAOYSA-N 1 0 306.366 1.662 20 5 DDBDRO CC[NH+]1CCN([C@H]2CCN(c3ccc(F)cc3[N+](=O)[O-])C2)CC1 ZINC000106479036 276201884 /nfs/dbraw/zinc/20/18/84/276201884.db2.gz NFAOGWXCFBHBNN-AWEZNQCLSA-N 1 0 322.384 1.950 20 5 DDBDRO CC[C@H](C)[NH+]1CCN(c2ccc(C(=O)NC)cc2[N+](=O)[O-])CC1 ZINC000296006814 276556839 /nfs/dbraw/zinc/55/68/39/276556839.db2.gz NEQIUIFCMUETLR-LBPRGKRZSA-N 1 0 320.393 1.875 20 5 DDBDRO CC(C)(O)C[NH+]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000303162622 277316309 /nfs/dbraw/zinc/31/63/09/277316309.db2.gz PGRXKUVPZFUXFO-UHFFFAOYSA-N 1 0 322.365 1.515 20 5 DDBDRO COC[C@@]1(CNC(=O)c2c(C)cccc2[N+](=O)[O-])CCC[NH2+]1 ZINC000262451183 277582939 /nfs/dbraw/zinc/58/29/39/277582939.db2.gz HVOALXBUVIQHKJ-HNNXBMFYSA-N 1 0 307.350 1.402 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000354697972 306784002 /nfs/dbraw/zinc/78/40/02/306784002.db2.gz DYVCCYTUSQSTCJ-ZDUSSCGKSA-N 1 0 303.366 1.913 20 5 DDBDRO C[C@@H]1[NH2+]CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)[C@H]1C ZINC000440819714 278050499 /nfs/dbraw/zinc/05/04/99/278050499.db2.gz WUPQJXQBCDXVQC-YUMQZZPRSA-N 1 0 305.381 1.027 20 5 DDBDRO C[C@@H]1C[NH2+]CCN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000125392828 278837463 /nfs/dbraw/zinc/83/74/63/278837463.db2.gz WJDXTAUPXOMHDK-GFCCVEGCSA-N 1 0 318.377 1.629 20 5 DDBDRO C[C@](C[NH3+])(NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000430572768 280139994 /nfs/dbraw/zinc/13/99/94/280139994.db2.gz OSNXVDIACXSQTJ-MRXNPFEDSA-N 1 0 318.377 1.201 20 5 DDBDRO Cc1cnc(N2CC[NH+](C[C@H]3CCOC3)CC2)c([N+](=O)[O-])c1 ZINC000267341202 281604152 /nfs/dbraw/zinc/60/41/52/281604152.db2.gz DMQDRURSBDKRLJ-CYBMUJFWSA-N 1 0 306.366 1.457 20 5 DDBDRO C[NH+](C)CCOCCNC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000492339243 289166707 /nfs/dbraw/zinc/16/67/07/289166707.db2.gz OBIIFSQVVUBHGO-SREVYHEPSA-N 1 0 307.350 1.302 20 5 DDBDRO COC[C@](C)(CCO)[NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000184234051 293251698 /nfs/dbraw/zinc/25/16/98/293251698.db2.gz XAFRAIQAIFVHCT-AWEZNQCLSA-N 1 0 316.329 1.620 20 5 DDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000190671726 295356917 /nfs/dbraw/zinc/35/69/17/295356917.db2.gz DKIRRWAFLCNZKW-CYBMUJFWSA-N 1 0 318.377 1.877 20 5 DDBDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000261964066 297398166 /nfs/dbraw/zinc/39/81/66/297398166.db2.gz MQRHXPZOKGKOLF-NXEZZACHSA-N 1 0 321.333 1.175 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CC2(c3ccccc3)CC2)c1 ZINC000572444659 304527382 /nfs/dbraw/zinc/52/73/82/304527382.db2.gz STMQDJABESNBLN-HNNXBMFYSA-N 1 0 316.361 1.474 20 5 DDBDRO C[C@H](C[NH3+])CN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000423313203 298530218 /nfs/dbraw/zinc/53/02/18/298530218.db2.gz WJMJQOFMRIFMPD-RISCZKNCSA-N 1 0 303.366 1.602 20 5 DDBDRO COCCO[C@H]1COCC[C@H]1[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000362508953 300081464 /nfs/dbraw/zinc/08/14/64/300081464.db2.gz ZQEHAFUPHCCDMX-ZBFHGGJFSA-N 1 0 324.377 1.813 20 5 DDBDRO COCC[N@@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000363197129 300229761 /nfs/dbraw/zinc/22/97/61/300229761.db2.gz HWKOUEGGVYYXER-UHFFFAOYSA-N 1 0 321.377 1.698 20 5 DDBDRO COc1ccc(CC(=O)N[C@H]2CCCC[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000574749532 304680383 /nfs/dbraw/zinc/68/03/83/304680383.db2.gz IGNJQOPBROLCGB-STQMWFEESA-N 1 0 321.377 1.780 20 5 DDBDRO O=C(CN1CC[C@](O)(C2CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000368475527 301036051 /nfs/dbraw/zinc/03/60/51/301036051.db2.gz TZCFCMGTRVHHPH-OAHLLOKOSA-N 1 0 305.334 1.380 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@H]3COC[C@H]32)c1 ZINC000368519558 301047126 /nfs/dbraw/zinc/04/71/26/301047126.db2.gz QUANIECLBTVHRC-JGGQBBKZSA-N 1 0 322.361 1.445 20 5 DDBDRO NC(=O)c1ccc(C[N@@H+]2CCCO[C@H]3CCC[C@H]32)c([N+](=O)[O-])c1 ZINC000369473838 301189498 /nfs/dbraw/zinc/18/94/98/301189498.db2.gz UFPJXCZFQYOQHD-HIFRSBDPSA-N 1 0 319.361 1.837 20 5 DDBDRO CCc1n[nH]c(C(=O)NC2CC([NH+]3CCCCC3)C2)c1[N+](=O)[O-] ZINC000372996328 301644165 /nfs/dbraw/zinc/64/41/65/301644165.db2.gz HXVIROCZDJDIMY-UHFFFAOYSA-N 1 0 321.381 1.627 20 5 DDBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000376398159 302072491 /nfs/dbraw/zinc/07/24/91/302072491.db2.gz UTPYUGMPSWTDEK-WDEREUQCSA-N 1 0 307.354 1.027 20 5 DDBDRO O=C1CC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)[C@H](C2CC2)N1 ZINC000376730592 302093069 /nfs/dbraw/zinc/09/30/69/302093069.db2.gz YRQNFTOGIHWRFR-HIFRSBDPSA-N 1 0 307.325 1.881 20 5 DDBDRO NC(=O)c1cc([N+](=O)[O-])cnc1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000377362863 302172830 /nfs/dbraw/zinc/17/28/30/302172830.db2.gz QSSHTEFZDMSRPO-ZJUUUORDSA-N 1 0 305.338 1.127 20 5 DDBDRO C[NH+](C)[C@@H]1CCc2ccccc2[C@@H]1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000377688091 302212268 /nfs/dbraw/zinc/21/22/68/302212268.db2.gz IHMBXLLDENHMKW-TUVASFSCSA-N 1 0 303.362 1.386 20 5 DDBDRO C[C@]1(F)C[NH2+]CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000420334525 302382767 /nfs/dbraw/zinc/38/27/67/302382767.db2.gz OTBLACNJMKUZDB-AWEZNQCLSA-N 1 0 308.313 1.869 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H](C)C[NH3+])c1C ZINC000447241662 302395330 /nfs/dbraw/zinc/39/53/30/302395330.db2.gz BNEXOIHXBYQNPN-QMMMGPOBSA-N 1 0 301.368 1.085 20 5 DDBDRO Cn1ccnc1[C@H](NCC1([NH3+])CCC1)c1cccc([N+](=O)[O-])c1 ZINC000423326831 303003989 /nfs/dbraw/zinc/00/39/89/303003989.db2.gz MKVGUBNLCYKGDC-CQSZACIVSA-N 1 0 315.377 1.889 20 5 DDBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc([N+](=O)[O-])cn1C ZINC000531193719 303234561 /nfs/dbraw/zinc/23/45/61/303234561.db2.gz XHWGZEULNLNWJZ-NEPJUHHUSA-N 1 0 306.366 1.632 20 5 DDBDRO C[C@@H]1C[N@@H+](CCCNC(=O)c2ccc([N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000532397892 303284988 /nfs/dbraw/zinc/28/49/88/303284988.db2.gz RQYDDURUGJALKF-TXEJJXNPSA-N 1 0 322.365 1.219 20 5 DDBDRO COc1ccccc1[C@H](CO)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000541054330 303417213 /nfs/dbraw/zinc/41/72/13/303417213.db2.gz SEUOAKSEYVAPGO-ZDUSSCGKSA-N 1 0 306.322 1.123 20 5 DDBDRO C[C@@H]([NH2+]CCN1CCCS1(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000358097848 306929196 /nfs/dbraw/zinc/92/91/96/306929196.db2.gz OEAKHHKJJHJYPE-LLVKDONJSA-N 1 0 313.379 1.281 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H]1C[C@@H](O)C1(C)C ZINC000563362064 303944390 /nfs/dbraw/zinc/94/43/90/303944390.db2.gz YTPPDPNFQKPOER-UONOGXRCSA-N 1 0 321.377 1.981 20 5 DDBDRO Cn1nccc1[C@@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000363428795 307027905 /nfs/dbraw/zinc/02/79/05/307027905.db2.gz CRWFOOHRAXBMLC-GFCCVEGCSA-N 1 0 304.354 1.404 20 5 DDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC000370669848 307131969 /nfs/dbraw/zinc/13/19/69/307131969.db2.gz RRZWYTJXECRSKX-AWEZNQCLSA-N 1 0 303.362 1.895 20 5 DDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N(C1CC1)C1CC[NH2+]CC1 ZINC000377166565 307265001 /nfs/dbraw/zinc/26/50/01/307265001.db2.gz FZBVBYSOKMGUOG-UHFFFAOYSA-N 1 0 304.350 1.534 20 5 DDBDRO O=C(/C=C\c1cccc([N+](=O)[O-])c1)N1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC000404007303 307297575 /nfs/dbraw/zinc/29/75/75/307297575.db2.gz OMFBZUTUEROVKZ-VQGNRHNMSA-N 1 0 317.345 1.197 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000415570327 307299101 /nfs/dbraw/zinc/29/91/01/307299101.db2.gz SGIRJHDPGSULPV-QWRGUYRKSA-N 1 0 320.349 1.051 20 5 DDBDRO COC(=O)CCC1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000531239791 307612766 /nfs/dbraw/zinc/61/27/66/307612766.db2.gz FDQHQKPPUKNNBF-UHFFFAOYSA-N 1 0 310.354 1.457 20 5 DDBDRO COC[C@@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C(C)C ZINC000543455291 307706544 /nfs/dbraw/zinc/70/65/44/307706544.db2.gz VWNVHFPPGMUNQQ-CQSZACIVSA-N 1 0 321.377 1.745 20 5 DDBDRO C[C@@H](CC[NH+](C)C)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000548813234 307795918 /nfs/dbraw/zinc/79/59/18/307795918.db2.gz QKZKEMNVOGQFDG-VIFPVBQESA-N 1 0 309.322 1.394 20 5 DDBDRO CNc1nc(C(=O)NC[C@@H](C)[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000562893971 307947466 /nfs/dbraw/zinc/94/74/66/307947466.db2.gz PKFFUEUYNAMBAH-SNVBAGLBSA-N 1 0 307.354 1.246 20 5 DDBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@H](C2CC2)[C@H]2CNCCO2)cc1 ZINC000573675779 308248338 /nfs/dbraw/zinc/24/83/38/308248338.db2.gz FZXGMESVBOXVQR-HZPDHXFCSA-N 1 0 321.377 1.330 20 5 DDBDRO CC(C)[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cc(Cl)c1=O ZINC000576479978 308318085 /nfs/dbraw/zinc/31/80/85/308318085.db2.gz JNVXJSQBJHMXLE-JTQLQIEISA-N 1 0 303.746 1.111 20 5 DDBDRO [NH3+][C@@H](CC(F)F)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000581068968 308651461 /nfs/dbraw/zinc/65/14/61/308651461.db2.gz LBGAMFJXZGYNFE-JTQLQIEISA-N 1 0 303.265 1.072 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C2CCC(F)(F)CC2)c1 ZINC000389979666 325780209 /nfs/dbraw/zinc/78/02/09/325780209.db2.gz WVTUKSURNMJETP-LLVKDONJSA-N 1 0 304.297 1.320 20 5 DDBDRO COC(=O)CC1([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000582788933 337166349 /nfs/dbraw/zinc/16/63/49/337166349.db2.gz PJGGQWQORGQKPD-UHFFFAOYSA-N 1 0 321.333 1.609 20 5 DDBDRO Cc1nn(C)c(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000582940396 337220002 /nfs/dbraw/zinc/22/00/02/337220002.db2.gz XYNFRDJSZJPTMR-NSHDSACASA-N 1 0 307.398 1.947 20 5 DDBDRO C[C@H](C(=O)NCC1(O)CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000397552784 337276120 /nfs/dbraw/zinc/27/61/20/337276120.db2.gz ZLKIYAJWUKGCPV-LBPRGKRZSA-N 1 0 321.377 1.271 20 5 DDBDRO C[N@@H+]1C[C@@]23CN(C(=O)c4n[nH]cc4[N+](=O)[O-])C[C@]2(C1)CCCC3 ZINC001120757299 782124802 /nfs/dbraw/zinc/12/48/02/782124802.db2.gz YROQTHDWRSVSKY-GASCZTMLSA-N 1 0 319.365 1.266 20 5 DDBDRO COc1ccc(C[N@@H+]2CC[C@H](c3nnc[nH]3)C2)cc1[N+](=O)[O-] ZINC000425355469 490249599 /nfs/dbraw/zinc/24/95/99/490249599.db2.gz LTVWAGOZHLZUCL-NSHDSACASA-N 1 0 303.322 1.711 20 5 DDBDRO C[C@@H]1C[C@H](C[NH3+])CN1c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000420211830 533843491 /nfs/dbraw/zinc/84/34/91/533843491.db2.gz FWGNFMRXWYJERP-NXEZZACHSA-N 1 0 303.322 1.818 20 5 DDBDRO C[C@@H]1C[C@H](NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000418615693 533918045 /nfs/dbraw/zinc/91/80/45/533918045.db2.gz YEQLGWNXMMWLCB-TZMCWYRMSA-N 1 0 320.393 1.919 20 5 DDBDRO C[C@@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000305768954 534030355 /nfs/dbraw/zinc/03/03/55/534030355.db2.gz VJXIKCWAOIZXTL-BXUZGUMPSA-N 1 0 307.350 1.626 20 5 DDBDRO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)[NH+](C)C ZINC000412394177 534041090 /nfs/dbraw/zinc/04/10/90/534041090.db2.gz MGSHJWQMSHXMGG-NSHDSACASA-N 1 0 317.349 1.460 20 5 DDBDRO O=C(NC[C@@H]1CCC[NH2+]1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000418355935 534567051 /nfs/dbraw/zinc/56/70/51/534567051.db2.gz BVNJRHPBHHFFRD-LBPRGKRZSA-N 1 0 320.349 1.251 20 5 DDBDRO O=C(CNc1ccccc1[N+](=O)[O-])N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160488891 526900590 /nfs/dbraw/zinc/90/05/90/526900590.db2.gz WYZSJYSTNSTTNO-TXEJJXNPSA-N 1 0 304.350 1.360 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CCC(c3nnc[nH]3)CC2)c1 ZINC000154428558 527394086 /nfs/dbraw/zinc/39/40/86/527394086.db2.gz YAUBCOUCGLINQN-AWEZNQCLSA-N 1 0 317.349 1.626 20 5 DDBDRO CCO[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000452016573 527756429 /nfs/dbraw/zinc/75/64/29/527756429.db2.gz NPCJHLJGCGXCBB-GZBFAFLISA-N 1 0 324.377 1.882 20 5 DDBDRO CC[N@@H+]1CC[C@H](NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000413826056 527854096 /nfs/dbraw/zinc/85/40/96/527854096.db2.gz AFENZBMADOVWCN-AWEZNQCLSA-N 1 0 318.377 1.757 20 5 DDBDRO CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000422919546 527903245 /nfs/dbraw/zinc/90/32/45/527903245.db2.gz JYYHWBVDGKDLLN-CORIIIEPSA-N 1 0 321.377 1.847 20 5 DDBDRO CC1CC[NH+](CCCNc2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000298269548 528241666 /nfs/dbraw/zinc/24/16/66/528241666.db2.gz AEPCDBVDARQYTE-UHFFFAOYSA-N 1 0 321.381 1.623 20 5 DDBDRO CC1(C)CCC[NH2+][C@@H]1C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000422939077 528943846 /nfs/dbraw/zinc/94/38/46/528943846.db2.gz QRNNQQDFFZYPJH-CQSZACIVSA-N 1 0 320.393 1.901 20 5 DDBDRO O=[N+]([O-])c1ccc2cnn(CN3CC[NH+](CC4CC4)CC3)c2c1 ZINC000054551267 696277246 /nfs/dbraw/zinc/27/72/46/696277246.db2.gz OJNBIXAWABAKDU-UHFFFAOYSA-N 1 0 315.377 1.930 20 5 DDBDRO Cc1nn(CN2CC[NH+](C3CCCC3)CC2)c(C)c1[N+](=O)[O-] ZINC000075582208 696421921 /nfs/dbraw/zinc/42/19/21/696421921.db2.gz KVKJEFYCFPKFFW-UHFFFAOYSA-N 1 0 307.398 1.926 20 5 DDBDRO CN(Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1CCOC1 ZINC000106857668 696628085 /nfs/dbraw/zinc/62/80/85/696628085.db2.gz IYKBSVNIDDGUFR-CYBMUJFWSA-N 1 0 303.322 1.532 20 5 DDBDRO C[NH2+][C@@H]1CCCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000126842112 696765854 /nfs/dbraw/zinc/76/58/54/696765854.db2.gz YALUGZXVJKTPJX-SECBINFHSA-N 1 0 317.342 1.106 20 5 DDBDRO C[N@H+](C[C@@H]1CCOC1)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000176105364 697401643 /nfs/dbraw/zinc/40/16/43/697401643.db2.gz OHTWCNIRCFIQPZ-LBPRGKRZSA-N 1 0 317.349 1.779 20 5 DDBDRO O=C(C[C@H]1CSCC[NH2+]1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000238080599 697816590 /nfs/dbraw/zinc/81/65/90/697816590.db2.gz SNEJKDOMDDYIIU-NSHDSACASA-N 1 0 307.375 1.579 20 5 DDBDRO CC(C)(C(=O)OCCC[NH+]1CCCC1)n1cc([N+](=O)[O-])cn1 ZINC000800159015 700195799 /nfs/dbraw/zinc/19/57/99/700195799.db2.gz HETHXOZHYAIBTR-UHFFFAOYSA-N 1 0 310.354 1.556 20 5 DDBDRO CN(C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000776581636 698121108 /nfs/dbraw/zinc/12/11/08/698121108.db2.gz FQAHGJLKHUBMJI-HZPDHXFCSA-N 1 0 305.378 1.797 20 5 DDBDRO Cn1cc([N+](=O)[O-])c(C(=O)N2CCN(C)Cc3ccccc32)n1 ZINC000779915473 698478822 /nfs/dbraw/zinc/47/88/22/698478822.db2.gz IKUNNZFFLITUJT-UHFFFAOYSA-N 1 0 315.333 1.421 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)C[C@H](C)[NH3+])cc1C ZINC000312774186 698679462 /nfs/dbraw/zinc/67/94/62/698679462.db2.gz DWHXLJLAOBDCCH-JTQLQIEISA-N 1 0 301.368 1.179 20 5 DDBDRO COCC[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000786193004 699133636 /nfs/dbraw/zinc/13/36/36/699133636.db2.gz VYNCWUNIDXTWLO-GJZGRUSLSA-N 1 0 310.350 1.366 20 5 DDBDRO O=C(COc1ccccc1[N+](=O)[O-])N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000424033222 699147888 /nfs/dbraw/zinc/14/78/88/699147888.db2.gz XMPFVIKETKMCDD-HNNXBMFYSA-N 1 0 305.334 1.328 20 5 DDBDRO [NH3+]CC[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(F)F ZINC000700603657 699221860 /nfs/dbraw/zinc/22/18/60/699221860.db2.gz ZPTBRMODMJTVIT-MRVPVSSYSA-N 1 0 307.684 1.961 20 5 DDBDRO COc1cc(OCC(=O)OCCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000791793026 699654864 /nfs/dbraw/zinc/65/48/64/699654864.db2.gz IVNZWEVEGBXZSO-UHFFFAOYSA-N 1 0 312.322 1.477 20 5 DDBDRO C[NH+](C)CCCOC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000791911727 699662058 /nfs/dbraw/zinc/66/20/58/699662058.db2.gz LBYUSAVASXPQKW-UHFFFAOYSA-N 1 0 319.317 1.957 20 5 DDBDRO CC(C)[C@H](C[NH+](C)C)NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000742670152 699885828 /nfs/dbraw/zinc/88/58/28/699885828.db2.gz HEJKJXNGIMTASU-ZDUSSCGKSA-N 1 0 322.409 1.733 20 5 DDBDRO CC(C)[N@@H+]1CCO[C@H](COC(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000802139489 700372740 /nfs/dbraw/zinc/37/27/40/700372740.db2.gz CQNBCHBRSRLAEK-HNNXBMFYSA-N 1 0 322.361 1.790 20 5 DDBDRO Cn1cc(C(C)(C)[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)cn1 ZINC000754882440 700535616 /nfs/dbraw/zinc/53/56/16/700535616.db2.gz JDCWKXCFCAJVIX-CQSZACIVSA-N 1 0 304.350 1.887 20 5 DDBDRO CC[NH+](CC)CCOCCNC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000756286896 700612581 /nfs/dbraw/zinc/61/25/81/700612581.db2.gz KIWHNDIURVSZOL-UHFFFAOYSA-N 1 0 324.381 1.265 20 5 DDBDRO Cc1cc(C(=O)NCC[N@H+]2CC=C(C)CC2)c(N)c([N+](=O)[O-])c1 ZINC000762709378 700903534 /nfs/dbraw/zinc/90/35/34/700903534.db2.gz VEKCTLWXSPVQKD-UHFFFAOYSA-N 1 0 318.377 1.867 20 5 DDBDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000765937658 701030602 /nfs/dbraw/zinc/03/06/02/701030602.db2.gz UQMWLHGUCHJVET-QWRGUYRKSA-N 1 0 306.366 1.732 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@H](O)C3CC3)CC2)cc1 ZINC000809739271 701684555 /nfs/dbraw/zinc/68/45/55/701684555.db2.gz DZJRWVVCIJLFJW-INIZCTEOSA-N 1 0 305.378 1.924 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)Nc1ccc(C[NH+](C)C)c(F)c1 ZINC000767052432 701080672 /nfs/dbraw/zinc/08/06/72/701080672.db2.gz HMISKZHAOCGNBT-UHFFFAOYSA-N 1 0 321.312 1.781 20 5 DDBDRO COCC[N@H+](C)CCCNc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000804350539 701181690 /nfs/dbraw/zinc/18/16/90/701181690.db2.gz QKRBSIAHFJVSHS-UHFFFAOYSA-N 1 0 312.326 1.883 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@@H](CCO)C1CC1 ZINC000771799201 701331153 /nfs/dbraw/zinc/33/11/53/701331153.db2.gz KPBPKOLUNPXSQC-STQMWFEESA-N 1 0 310.350 1.085 20 5 DDBDRO Cn1ncc(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000806168383 701428877 /nfs/dbraw/zinc/42/88/77/701428877.db2.gz KJPGDZLHQNGJMJ-AWEZNQCLSA-N 1 0 301.350 1.834 20 5 DDBDRO CC[NH+](CC)CCS(=O)(=O)Oc1ccc(F)cc1[N+](=O)[O-] ZINC000810046666 701715972 /nfs/dbraw/zinc/71/59/72/701715972.db2.gz YDPARIBHLWRHPR-UHFFFAOYSA-N 1 0 320.342 1.784 20 5 DDBDRO CC(C)(CN1CCOCC1)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000839650010 701765900 /nfs/dbraw/zinc/76/59/00/701765900.db2.gz JRAYLWLBKXVOJW-OAHLLOKOSA-N 1 0 323.393 1.329 20 5 DDBDRO CC(C)[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C[C@H]1CCC(=O)N1 ZINC000839671025 701775449 /nfs/dbraw/zinc/77/54/49/701775449.db2.gz XXRQWNAXSOWXOL-HIFRSBDPSA-N 1 0 321.377 1.617 20 5 DDBDRO C[N@@H+]1CCN(c2c(C(N)=O)cccc2[N+](=O)[O-])CCC1(C)C ZINC000866113064 706621915 /nfs/dbraw/zinc/62/19/15/706621915.db2.gz RKNNNBVQAYKVKO-UHFFFAOYSA-N 1 0 306.366 1.614 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(c3cc(N)c([N+](=O)[O-])c(CO)c3)CC[C@H]21 ZINC000866210231 706649485 /nfs/dbraw/zinc/64/94/85/706649485.db2.gz ZTVKBWRTQQZKTQ-QMTHXVAHSA-N 1 0 306.366 1.200 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(c3cc(N)c([N+](=O)[O-])c(CO)c3)CC[C@@H]21 ZINC000866210232 706649522 /nfs/dbraw/zinc/64/95/22/706649522.db2.gz ZTVKBWRTQQZKTQ-YGRLFVJLSA-N 1 0 306.366 1.200 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CC[C@H](n3cccn3)C2)cc1 ZINC000812876673 702256934 /nfs/dbraw/zinc/25/69/34/702256934.db2.gz OGRVMWVDKNDWRN-GJZGRUSLSA-N 1 0 302.334 1.772 20 5 DDBDRO CC(C)([NH3+])CNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000841187999 702382561 /nfs/dbraw/zinc/38/25/61/702382561.db2.gz KIMRPIKPPSOFAQ-UHFFFAOYSA-N 1 0 314.729 1.040 20 5 DDBDRO C[NH+](C)C1CCC(NC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000817659289 702438469 /nfs/dbraw/zinc/43/84/69/702438469.db2.gz CCMPEYTXDHNQRX-SSDMNJCBSA-N 1 0 321.377 1.617 20 5 DDBDRO C[C@@H]1C[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])ccc2N)C[C@@H]1C[NH3+] ZINC000818024118 702556981 /nfs/dbraw/zinc/55/69/81/702556981.db2.gz MLHOLUDKFZECFU-MXWKQRLJSA-N 1 0 306.366 1.622 20 5 DDBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1CCC(=O)N(C)C1=O ZINC000866378819 706685376 /nfs/dbraw/zinc/68/53/76/706685376.db2.gz CRFSDYHVEIOSKA-BXKDBHETSA-N 1 0 323.324 1.402 20 5 DDBDRO O=c1onc(-c2cccc([N+](=O)[O-])c2)n1CC[NH+]1CCCC1 ZINC000842571970 702734962 /nfs/dbraw/zinc/73/49/62/702734962.db2.gz UXZVUVATRFZJLP-UHFFFAOYSA-N 1 0 304.306 1.507 20 5 DDBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1C[C@@H]([NH3+])C1 ZINC000842800928 702776209 /nfs/dbraw/zinc/77/62/09/702776209.db2.gz BOZPIBABNRPEDI-OCAPTIKFSA-N 1 0 319.770 1.325 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)CNC[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000843061710 702810662 /nfs/dbraw/zinc/81/06/62/702810662.db2.gz HKAGICAJLDDELP-JKSUJKDBSA-N 1 0 323.393 1.065 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H](CO)Cc2ccncc2)cc1 ZINC000843111220 702820923 /nfs/dbraw/zinc/82/09/23/702820923.db2.gz RTKQIWVMWOYNCL-GOEBONIOSA-N 1 0 317.345 1.216 20 5 DDBDRO COc1cc(Cc2noc(C[C@H](C)[NH3+])n2)c([N+](=O)[O-])c(OC)c1 ZINC000843225263 702845749 /nfs/dbraw/zinc/84/57/49/702845749.db2.gz FSLOYDAPSULQLP-QMMMGPOBSA-N 1 0 322.321 1.476 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)NC[C@@H]2CCCC[NH2+]2)cc1[N+](=O)[O-] ZINC000843321856 702859214 /nfs/dbraw/zinc/85/92/14/702859214.db2.gz NILNIMYVYAPKQS-NSHDSACASA-N 1 0 322.321 1.683 20 5 DDBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@H]1C[C@@]13CC[NH2+]C3)CC2 ZINC000843495393 702893705 /nfs/dbraw/zinc/89/37/05/702893705.db2.gz QTYLMBNLVZOSIN-MLGOLLRUSA-N 1 0 301.346 1.792 20 5 DDBDRO C[N@@H+]1CC[C@H]2CN(CCOc3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000879572789 706722539 /nfs/dbraw/zinc/72/25/39/706722539.db2.gz RIDSMFZWWURFQI-BBRMVZONSA-N 1 0 305.378 2.000 20 5 DDBDRO CC1(C)C[C@H](O)C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000879614940 706738802 /nfs/dbraw/zinc/73/88/02/706738802.db2.gz CKUFJPJTQLUXPA-KBPBESRZSA-N 1 0 324.377 1.427 20 5 DDBDRO COCCC[N@H+](C)CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848474621 703554674 /nfs/dbraw/zinc/55/46/74/703554674.db2.gz FFFXIHNSNCUYBI-OAHLLOKOSA-N 1 0 321.377 1.837 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000869781557 703851347 /nfs/dbraw/zinc/85/13/47/703851347.db2.gz RJASTAFHZYPGCU-LBPRGKRZSA-N 1 0 321.377 1.478 20 5 DDBDRO Cc1c(C(=O)NCC2C[NH2+]C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000818565733 703927608 /nfs/dbraw/zinc/92/76/08/703927608.db2.gz OSNQDMROWJJYOI-UHFFFAOYSA-N 1 0 308.294 1.069 20 5 DDBDRO O=C(CCN1CCC[C@H]2[NH2+]CC[C@@H]21)Nc1ccc([N+](=O)[O-])cc1 ZINC000866721914 706775951 /nfs/dbraw/zinc/77/59/51/706775951.db2.gz QXLFUZQDVCXBIJ-CABCVRRESA-N 1 0 318.377 1.750 20 5 DDBDRO Cc1nccn1CCC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818967875 704037635 /nfs/dbraw/zinc/03/76/35/704037635.db2.gz DMJOUDVCXYWNDY-HNNXBMFYSA-N 1 0 304.350 1.813 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)CNC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000818986350 704043202 /nfs/dbraw/zinc/04/32/02/704043202.db2.gz MDRQUWGJTPBOFQ-ARFHVFGLSA-N 1 0 321.377 1.081 20 5 DDBDRO CC(C)N1C[C@@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1=O ZINC000818996455 704047351 /nfs/dbraw/zinc/04/73/51/704047351.db2.gz QWKMTIONNIDEKF-GXTWGEPZSA-N 1 0 307.350 1.227 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[NH2+]C[C@H](O)c2c(F)cccc2F)c1 ZINC000819176622 704081561 /nfs/dbraw/zinc/08/15/61/704081561.db2.gz LJZLRAAFCGSKBI-LBPRGKRZSA-N 1 0 312.276 1.393 20 5 DDBDRO Cc1cc(C[C@H](C)[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000819176516 704081649 /nfs/dbraw/zinc/08/16/49/704081649.db2.gz FCIVOQBBWVMQDM-BONVTDFDSA-N 1 0 304.350 1.881 20 5 DDBDRO CC(C)S(=O)(=O)CC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819317988 704106566 /nfs/dbraw/zinc/10/65/66/704106566.db2.gz XNBCQJKRTALZEZ-CYBMUJFWSA-N 1 0 316.379 1.041 20 5 DDBDRO C[NH2+]C[C@H](C)NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000852923215 704173514 /nfs/dbraw/zinc/17/35/14/704173514.db2.gz AMFBBJWRSXUYAI-ZETCQYMHSA-N 1 0 303.721 1.654 20 5 DDBDRO CCN(C(=O)c1cc([N+](=O)[O-])ccc1N)[C@H]1CC[N@H+](CC)C1 ZINC000855490881 704487486 /nfs/dbraw/zinc/48/74/86/704487486.db2.gz LGRBEUSZTVFDPO-LBPRGKRZSA-N 1 0 306.366 1.733 20 5 DDBDRO O=C(NCC1CC[NH+](Cc2ccncc2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000855528893 704490915 /nfs/dbraw/zinc/49/09/15/704490915.db2.gz JQVKTQOHZPTCDW-HUUCEWRRSA-N 1 0 318.377 1.075 20 5 DDBDRO CC[NH2+]CCNC(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857764284 704621877 /nfs/dbraw/zinc/62/18/77/704621877.db2.gz OHCDUKFWJPBMOI-UHFFFAOYSA-N 1 0 303.265 1.292 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCN(c3cc[nH+]c(CO)c3)CC2)cn1 ZINC000858344610 704697924 /nfs/dbraw/zinc/69/79/24/704697924.db2.gz RKQIPJVHSZFLDF-UHFFFAOYSA-N 1 0 315.333 1.204 20 5 DDBDRO C[C@@H]1CC[C@H](CO)[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000880439805 706977159 /nfs/dbraw/zinc/97/71/59/706977159.db2.gz KKKXJTYLJFOVQR-JHJVBQTASA-N 1 0 310.350 1.180 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@@](O)(c3ccccc3)C2)n1 ZINC000859585811 704943872 /nfs/dbraw/zinc/94/38/72/704943872.db2.gz CYNLNNOECVNSAF-INIZCTEOSA-N 1 0 316.361 1.775 20 5 DDBDRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cccc([N+](=O)[O-])c1N ZINC000874836915 705193605 /nfs/dbraw/zinc/19/36/05/705193605.db2.gz IDKKXSPBGAGTDT-NWDGAFQWSA-N 1 0 304.350 1.486 20 5 DDBDRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000874850085 705203227 /nfs/dbraw/zinc/20/32/27/705203227.db2.gz NUJBKPZLAIGDOE-QWHCGFSZSA-N 1 0 304.350 1.486 20 5 DDBDRO CC[N@@H+]1CC[C@@H](CNC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000825378907 705658512 /nfs/dbraw/zinc/65/85/12/705658512.db2.gz IXCDWRQYSZWIDU-SMDDNHRTSA-N 1 0 307.350 1.086 20 5 DDBDRO CC[NH+](CC)CCCCNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825887920 705741781 /nfs/dbraw/zinc/74/17/81/705741781.db2.gz SGNZEFUWWUDUHO-HNNXBMFYSA-N 1 0 323.393 1.866 20 5 DDBDRO C[N@@H+]1CCCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000862793315 705799707 /nfs/dbraw/zinc/79/97/07/705799707.db2.gz MONQSOJZCPMAPL-NSHDSACASA-N 1 0 306.366 1.639 20 5 DDBDRO CN1CCOC[C@@H]1CNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000862971110 705839911 /nfs/dbraw/zinc/83/99/11/705839911.db2.gz JFWMNJUMJPFCML-ZBKLQPJUSA-N 1 0 305.334 1.055 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000877002091 705954737 /nfs/dbraw/zinc/95/47/37/705954737.db2.gz PDCOBHVSCKSXPR-CQSZACIVSA-N 1 0 318.377 1.675 20 5 DDBDRO C[N@@H+]1CC[C@H]2CN(C(=O)Cc3ccccc3[N+](=O)[O-])CC[C@H]21 ZINC000827374741 705988939 /nfs/dbraw/zinc/98/89/39/705988939.db2.gz PPCLBPGGUZHLBR-UONOGXRCSA-N 1 0 303.362 1.690 20 5 DDBDRO Cc1c(CC(=O)N2C3CCC2(C[NH3+])CC3)cccc1[N+](=O)[O-] ZINC000877187475 706010831 /nfs/dbraw/zinc/01/08/31/706010831.db2.gz TUXGJKAONSPIPN-UHFFFAOYSA-N 1 0 303.362 1.928 20 5 DDBDRO CCOC(=O)[C@@H](C)C1CN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000871993184 707272699 /nfs/dbraw/zinc/27/26/99/707272699.db2.gz MHTJCIKNHLKMQT-XHDPSFHLSA-N 1 0 322.361 1.759 20 5 DDBDRO CNc1ccc(C(=O)N[C@@]23CCC[C@H]2[NH2+]CC3)cc1[N+](=O)[O-] ZINC000877398025 706095435 /nfs/dbraw/zinc/09/54/35/706095435.db2.gz LLQWQTAMFWKAII-UKRRQHHQSA-N 1 0 304.350 1.651 20 5 DDBDRO Cc1ccc(C[NH+]2CCC(c3nnnn3C)CC2)cc1[N+](=O)[O-] ZINC000877781529 706209385 /nfs/dbraw/zinc/20/93/85/706209385.db2.gz LBCDCTPPHYLLCP-UHFFFAOYSA-N 1 0 316.365 1.806 20 5 DDBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000829449524 706334943 /nfs/dbraw/zinc/33/49/43/706334943.db2.gz CEDNZBPSZOMRCU-ILXRZTDVSA-N 1 0 303.362 1.909 20 5 DDBDRO O=[N+]([O-])c1cc(CO)c(N2CC[C@H]([NH+]3CCCC3)C2)cc1F ZINC000865502239 706447948 /nfs/dbraw/zinc/44/79/48/706447948.db2.gz HUTINWOOMCFNPD-LBPRGKRZSA-N 1 0 309.341 1.901 20 5 DDBDRO O=C1[C@H]([N@@H+]2CC[C@@H](CF)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000880296674 706932045 /nfs/dbraw/zinc/93/20/45/706932045.db2.gz FSVYVZSPYRBSOS-SMDDNHRTSA-N 1 0 307.325 1.992 20 5 DDBDRO O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)NCC[C@H]1CC[NH2+]C1 ZINC000832635434 706953530 /nfs/dbraw/zinc/95/35/30/706953530.db2.gz PRXYTOYNDWJEPZ-LLVKDONJSA-N 1 0 317.349 1.060 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NC1CCC(C)([NH+]2CCC2)CC1 ZINC000834785587 707117866 /nfs/dbraw/zinc/11/78/66/707117866.db2.gz DQGSTLHMFCSEOR-UHFFFAOYSA-N 1 0 321.381 1.465 20 5 DDBDRO Cc1nn(C)c(C(=O)N2CCC(C)([NH+]3CCC3)CC2)c1[N+](=O)[O-] ZINC000882502098 707669740 /nfs/dbraw/zinc/66/97/40/707669740.db2.gz GIOSMLMJXOWFEE-UHFFFAOYSA-N 1 0 321.381 1.337 20 5 DDBDRO CCNC(=O)N1CC[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000873078255 707721450 /nfs/dbraw/zinc/72/14/50/707721450.db2.gz KOCBOLGMRPTDOL-ZDUSSCGKSA-N 1 0 306.366 1.797 20 5 DDBDRO CCN1CC[C@@H]1CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000882766582 707783068 /nfs/dbraw/zinc/78/30/68/707783068.db2.gz LIVGHCPKKWCRKY-CYBMUJFWSA-N 1 0 313.379 1.108 20 5 DDBDRO COc1cc(C[NH2+][C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)c([N+](=O)[O-])cc1O ZINC000897823477 708461699 /nfs/dbraw/zinc/46/16/99/708461699.db2.gz YTIPULTZPDIGKA-WJNGYNTMSA-N 1 0 306.318 1.574 20 5 DDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]Cc3ccc(CCO)cc3)C2)c1 ZINC000898170024 708562758 /nfs/dbraw/zinc/56/27/58/708562758.db2.gz YTNIVLZVZBNUIP-UHFFFAOYSA-N 1 0 316.361 1.819 20 5 DDBDRO CC1([NH+]2CCOCC2)CCN(Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886298992 708738258 /nfs/dbraw/zinc/73/82/58/708738258.db2.gz NJCDSDXHJLRXSU-UHFFFAOYSA-N 1 0 320.393 1.677 20 5 DDBDRO COC(=O)N[C@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000886863815 708870318 /nfs/dbraw/zinc/87/03/18/708870318.db2.gz URKAKMZKGVMWSD-NSHDSACASA-N 1 0 309.322 1.404 20 5 DDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000900159756 709311031 /nfs/dbraw/zinc/31/10/31/709311031.db2.gz PVFIATGNZBNBEY-IUODEOHRSA-N 1 0 307.350 1.008 20 5 DDBDRO C[C@H](NC(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000900267540 709512426 /nfs/dbraw/zinc/51/24/26/709512426.db2.gz HQYHBQJVYCXDMH-XEGUGMAKSA-N 1 0 307.350 1.227 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)N2CCC([NH+]3CCC3)CC2)c1[N+](=O)[O-] ZINC000912876248 713113113 /nfs/dbraw/zinc/11/31/13/713113113.db2.gz CSRBBNHHRVGRMA-UHFFFAOYSA-N 1 0 321.381 1.752 20 5 DDBDRO COc1ccc(C(=O)N2CC[C@@H]([NH+]3CCC3)C2)cc1[N+](=O)[O-] ZINC000912928713 713126956 /nfs/dbraw/zinc/12/69/56/713126956.db2.gz QWROACWJSRARMU-GFCCVEGCSA-N 1 0 305.334 1.524 20 5 DDBDRO C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000928250149 713157382 /nfs/dbraw/zinc/15/73/82/713157382.db2.gz YXANKEPDCRYUFO-CHWSQXEVSA-N 1 0 321.377 1.740 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000891499870 710220208 /nfs/dbraw/zinc/22/02/08/710220208.db2.gz RBKHNZMZGFOYAI-ZDUSSCGKSA-N 1 0 303.366 1.913 20 5 DDBDRO C[NH+]1CCC2(CCN2C(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000892417972 710434100 /nfs/dbraw/zinc/43/41/00/710434100.db2.gz LISFMYKDJJNXDM-UHFFFAOYSA-N 1 0 318.377 1.975 20 5 DDBDRO C[N@@H+]1C[C@@H]2CCN(C(=O)NCc3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000892418659 710434229 /nfs/dbraw/zinc/43/42/29/710434229.db2.gz RZWLIUXWTUALKB-GXTWGEPZSA-N 1 0 304.350 1.440 20 5 DDBDRO C[C@]1(NC(=O)Cc2ccccc2[N+](=O)[O-])C[NH+]2CCC1CC2 ZINC000892801418 710502712 /nfs/dbraw/zinc/50/27/12/710502712.db2.gz SDLVBQYWFMLIKG-INIZCTEOSA-N 1 0 303.362 1.738 20 5 DDBDRO COc1cc([N+](=O)[O-])cnc1NCCN1CCC([NH+](C)C)CC1 ZINC000892815572 710505976 /nfs/dbraw/zinc/50/59/76/710505976.db2.gz FAJKZUOWBBPCLH-UHFFFAOYSA-N 1 0 323.397 1.436 20 5 DDBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)n1 ZINC000902466841 710762851 /nfs/dbraw/zinc/76/28/51/710762851.db2.gz NOAIUIDKPKGYHQ-HTOAHKCRSA-N 1 0 305.382 1.758 20 5 DDBDRO Cn1ccnc1[C@@H](N[C@H]1C[C@H](C[NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC000902484164 710768310 /nfs/dbraw/zinc/76/83/10/710768310.db2.gz FAQWGYNIZOPWSJ-WHOFXGATSA-N 1 0 315.377 1.745 20 5 DDBDRO CC[C@@H]([NH2+]CCCc1nnnn1C)c1cccc([N+](=O)[O-])c1 ZINC000903344536 711098725 /nfs/dbraw/zinc/09/87/25/711098725.db2.gz QFNSYDTZQFSRAB-CYBMUJFWSA-N 1 0 304.354 1.792 20 5 DDBDRO COc1c(O)ccc(C[N@@H+]2CCC[C@H](CO)[C@H]2C)c1[N+](=O)[O-] ZINC000894940593 711330255 /nfs/dbraw/zinc/33/02/55/711330255.db2.gz UHQNOCLNVBUOGF-ZYHUDNBSSA-N 1 0 310.350 1.902 20 5 DDBDRO CC(=O)c1ccc(N2CCC(O)(C[NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000894956478 711338508 /nfs/dbraw/zinc/33/85/08/711338508.db2.gz QHCJXYOZKDPTSX-UHFFFAOYSA-N 1 0 321.377 1.690 20 5 DDBDRO Cc1c(C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCN2C)cccc1[N+](=O)[O-] ZINC000896580798 711758322 /nfs/dbraw/zinc/75/83/22/711758322.db2.gz IYKJTLDPURECNG-IUODEOHRSA-N 1 0 320.393 1.267 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC(O)(C[NH+](C)C)CC2)c1 ZINC000913680010 713280000 /nfs/dbraw/zinc/28/00/00/713280000.db2.gz ZREFIOLHTORHCW-UHFFFAOYSA-N 1 0 321.377 1.432 20 5 DDBDRO CCN1CC[C@@H]1C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000905443286 712039209 /nfs/dbraw/zinc/03/92/09/712039209.db2.gz YVXJJAMSTGFJRV-CHWSQXEVSA-N 1 0 309.366 1.018 20 5 DDBDRO CC[C@H](CN1CCOCC1)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000905553706 712075771 /nfs/dbraw/zinc/07/57/71/712075771.db2.gz VOVSYZRLXGMIKI-GDBMZVCRSA-N 1 0 323.393 1.329 20 5 DDBDRO C[C@H](C[NH2+]C[C@H](O)Cn1cccn1)c1ccccc1[N+](=O)[O-] ZINC000905643420 712105068 /nfs/dbraw/zinc/10/50/68/712105068.db2.gz LUNUJHHLGGLWIK-OLZOCXBDSA-N 1 0 304.350 1.546 20 5 DDBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@@H]2COC[C@H]2C)cccc1[N+](=O)[O-] ZINC000905864733 712169357 /nfs/dbraw/zinc/16/93/57/712169357.db2.gz FTAJOIXJCNTKFP-SUZMYJTESA-N 1 0 307.350 1.855 20 5 DDBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCN(C)C1 ZINC000906525207 712346851 /nfs/dbraw/zinc/34/68/51/712346851.db2.gz KYYLDKMQAIURTE-AAEUAGOBSA-N 1 0 306.366 1.606 20 5 DDBDRO O=C(NCC1CC[NH2+]CC1)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000906626974 712373887 /nfs/dbraw/zinc/37/38/87/712373887.db2.gz IJFMKSZEEBREOP-LSDHHAIUSA-N 1 0 303.362 1.814 20 5 DDBDRO C[C@@H]1[C@@H](NC(=O)NCCNc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000913930633 713321437 /nfs/dbraw/zinc/32/14/37/713321437.db2.gz KEDWXUQPKIHLSM-RISCZKNCSA-N 1 0 321.381 1.399 20 5 DDBDRO Cn1cc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C)C3(CCCCC3)C2)n1 ZINC000908573626 712811134 /nfs/dbraw/zinc/81/11/34/712811134.db2.gz RYVDPFZBAUNRMP-UHFFFAOYSA-N 1 0 321.381 1.419 20 5 DDBDRO CC(C)[NH2+]C1(CO)CCN(C(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC000908606831 712820244 /nfs/dbraw/zinc/82/02/44/712820244.db2.gz QWCAYHBJGQFKOF-UHFFFAOYSA-N 1 0 315.414 1.173 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+]C(C)(C)CO ZINC000916572460 713458593 /nfs/dbraw/zinc/45/85/93/713458593.db2.gz IVVACCLVWZHMPF-VIFPVBQESA-N 1 0 311.338 1.291 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@@H]([NH+](C)C)[C@@H]1C ZINC000931047391 713990496 /nfs/dbraw/zinc/99/04/96/713990496.db2.gz YDAQYNDWTUICPS-SWLSCSKDSA-N 1 0 320.393 1.866 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2[C@@H]3CC[C@H]2C[N@H+](C)CC3)n1 ZINC000923269892 714291615 /nfs/dbraw/zinc/29/16/15/714291615.db2.gz WHNZBYVKPVZMHC-MNOVXSKESA-N 1 0 307.354 1.120 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000923274473 714293539 /nfs/dbraw/zinc/29/35/39/714293539.db2.gz NOZCNCASXPGFGG-NWDGAFQWSA-N 1 0 305.334 1.609 20 5 DDBDRO C[C@H]1CN(C)C[C@H](c2nc(Cc3ccccc3[N+](=O)[O-])no2)O1 ZINC000923761573 714465655 /nfs/dbraw/zinc/46/56/55/714465655.db2.gz SCDRJEYGDDFERZ-GXFFZTMASA-N 1 0 318.333 1.960 20 5 DDBDRO C[N@@H+](Cc1cccc(=O)[nH]1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000933397979 714581854 /nfs/dbraw/zinc/58/18/54/714581854.db2.gz HXHYBRIFAZRHCT-AWEZNQCLSA-N 1 0 303.318 1.861 20 5 DDBDRO CCOC(=O)[C@H]1NCC[C@H]1[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000925827288 714945195 /nfs/dbraw/zinc/94/51/95/714945195.db2.gz REGYUECCCZQGQV-HONMWMINSA-N 1 0 307.350 1.539 20 5 DDBDRO C[NH+](C)C1CC(NC(=O)CCc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000935827811 715131249 /nfs/dbraw/zinc/13/12/49/715131249.db2.gz KRUQSMXNSSLKGE-UHFFFAOYSA-N 1 0 309.341 1.875 20 5 DDBDRO O=[N+]([O-])c1ccc2ccnc(N3CCN4CC[NH2+]C[C@H]4C3)c2c1 ZINC001164407391 718838173 /nfs/dbraw/zinc/83/81/73/718838173.db2.gz VSIYJTRHUXCAIP-AWEZNQCLSA-N 1 0 313.361 1.237 20 5 DDBDRO Cc1nc(N2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)ccc1[N+](=O)[O-] ZINC001164923258 721849043 /nfs/dbraw/zinc/84/90/43/721849043.db2.gz UPJXCWCOVAEYTF-LSDHHAIUSA-N 1 0 319.409 1.513 20 5 DDBDRO COc1c(F)cc(-n2c(C)ncc(C[NH3+])c2=N)cc1[N+](=O)[O-] ZINC001167674699 735340321 /nfs/dbraw/zinc/34/03/21/735340321.db2.gz UZDSKFKHFSBYCJ-UHFFFAOYSA-N 1 0 307.285 1.175 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC001121197464 782403667 /nfs/dbraw/zinc/40/36/67/782403667.db2.gz ASSVUBAEDOONDS-ZLKJLUDKSA-N 1 0 319.361 1.673 20 5 DDBDRO Cc1cccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC001025775358 736852509 /nfs/dbraw/zinc/85/25/09/736852509.db2.gz RYLOMLOEHWKWFU-LJIZCISZSA-N 1 0 315.373 1.207 20 5 DDBDRO C[NH+](C)CCC(=O)NCC1(Nc2cccc(F)c2[N+](=O)[O-])CC1 ZINC001110325233 743767238 /nfs/dbraw/zinc/76/72/38/743767238.db2.gz AAUQVWDJCZOLGX-UHFFFAOYSA-N 1 0 324.356 1.746 20 5 DDBDRO CCC/C=C\CC[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001200471364 748265317 /nfs/dbraw/zinc/26/53/17/748265317.db2.gz FPNNULGSUSBUSD-ZYDHHDLOSA-N 1 0 309.410 1.979 20 5 DDBDRO O=C(NCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1ccncc1F ZINC001125170306 748994427 /nfs/dbraw/zinc/99/44/27/748994427.db2.gz XGHLTQWNLOGKGN-UHFFFAOYSA-N 1 0 318.308 1.649 20 5 DDBDRO CC[NH+](CC)CC(=O)NC/C=C\CNc1ncccc1[N+](=O)[O-] ZINC001107204108 749586032 /nfs/dbraw/zinc/58/60/32/749586032.db2.gz JKCIXWBABFSIOU-WAYWQWQTSA-N 1 0 321.381 1.416 20 5 DDBDRO CCC[N@H+](C)CC(=O)NCCCN(C)c1ncccc1[N+](=O)[O-] ZINC001095605317 750073186 /nfs/dbraw/zinc/07/31/86/750073186.db2.gz FLEBRHROAIIJKR-UHFFFAOYSA-N 1 0 323.397 1.274 20 5 DDBDRO COC(=O)Cc1ccc(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1 ZINC001168977011 762146846 /nfs/dbraw/zinc/14/68/46/762146846.db2.gz GRYQQBLQDLRUNS-HUUCEWRRSA-N 1 0 306.362 1.937 20 5 DDBDRO COC(=O)Cc1cccc(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001169003099 762173487 /nfs/dbraw/zinc/17/34/87/762173487.db2.gz NFPHNDCMBXWTMD-HUUCEWRRSA-N 1 0 306.362 1.937 20 5 DDBDRO Cc1cccc(N2CC[NH+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)n1 ZINC001169006710 762174826 /nfs/dbraw/zinc/17/48/26/762174826.db2.gz IZPVCCHTAXJZHB-LSDHHAIUSA-N 1 0 304.394 1.957 20 5 DDBDRO CCOC(=O)C1=C(O)CC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169029689 762186587 /nfs/dbraw/zinc/18/65/87/762186587.db2.gz VFSCUCSJTKGPJQ-JHJVBQTASA-N 1 0 312.366 1.276 20 5 DDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CCC(Oc3ncccn3)CC2)C1 ZINC001169035296 762190848 /nfs/dbraw/zinc/19/08/48/762190848.db2.gz KDMUUJNZCPJGRC-QWHCGFSZSA-N 1 0 306.366 1.765 20 5 DDBDRO O=C(c1cccnc1)N1CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169036168 762191731 /nfs/dbraw/zinc/19/17/31/762191731.db2.gz FNLISIKGOOBCLJ-HIFRSBDPSA-N 1 0 318.377 1.285 20 5 DDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CC(N3CCC(F)(F)CC3)C2)C1 ZINC001169038038 762192688 /nfs/dbraw/zinc/19/26/88/762192688.db2.gz VGKKMPAOXQLRHC-RYUDHWBXSA-N 1 0 303.353 1.847 20 5 DDBDRO CCc1ncnc2c1CC[N@@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169022088 762201140 /nfs/dbraw/zinc/20/11/40/762201140.db2.gz MUIQWQQEPFJXOS-QWHCGFSZSA-N 1 0 304.394 1.885 20 5 DDBDRO O=C(c1ccccn1)N1CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169050588 762206647 /nfs/dbraw/zinc/20/66/47/762206647.db2.gz BRDHNOPSFSZHKG-ZIAGYGMSSA-N 1 0 318.377 1.285 20 5 DDBDRO O=[N+]([O-])C[C@H]1CC[C@H](N(c2ccncn2)C2CC[NH2+]CC2)C1 ZINC001169053925 762209080 /nfs/dbraw/zinc/20/90/80/762209080.db2.gz KMIRFBZCQKFKIW-JSGCOSHPSA-N 1 0 305.382 1.480 20 5 DDBDRO Nc1cccc(CN2CC[NH+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)c1 ZINC001169054942 762210072 /nfs/dbraw/zinc/21/00/72/762210072.db2.gz OLCJISJQLGTIPC-WBVHZDCISA-N 1 0 318.421 1.832 20 5 DDBDRO Cc1ccnc(N2CC[NH+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)n1 ZINC001169057125 762211203 /nfs/dbraw/zinc/21/12/03/762211203.db2.gz UYMHUMFZJLGLEG-UONOGXRCSA-N 1 0 305.382 1.352 20 5 DDBDRO Cc1ncc(CC(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)o1 ZINC001129304491 754259659 /nfs/dbraw/zinc/25/96/59/754259659.db2.gz PMKRGINHRIWLQC-UHFFFAOYSA-N 1 0 318.333 1.340 20 5 DDBDRO O=[N+]([O-])c1ccc(Cl)nc1NCc1ncn2c1C[NH2+]CCC2 ZINC001169242714 762306991 /nfs/dbraw/zinc/30/69/91/762306991.db2.gz VUYUAMUADRCULM-UHFFFAOYSA-N 1 0 322.756 1.945 20 5 DDBDRO C[NH+](C)CCC(=O)N[C@H]1C[C@@H](Nc2ncccc2[N+](=O)[O-])C1 ZINC001097251728 757035456 /nfs/dbraw/zinc/03/54/56/757035456.db2.gz JIEDARBGQMDNON-PHIMTYICSA-N 1 0 307.354 1.001 20 5 DDBDRO O=C(NC[C@H]1C[C@@H]([NH2+]CC2CCCCC2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001086084454 760945135 /nfs/dbraw/zinc/94/51/35/760945135.db2.gz RVSYIQJUTPENSI-LXTVHRRPSA-N 1 0 309.410 1.716 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@H]3C[C@@]3(C[NH+](C)C)C2)n1 ZINC001156401717 762741307 /nfs/dbraw/zinc/74/13/07/762741307.db2.gz KBCRLKZTVDRNIJ-MEBBXXQBSA-N 1 0 320.349 1.164 20 5 DDBDRO C[C@@H](Nc1nc2c(cc1[N+](=O)[O-])CCCC2)[C@H]1C[NH2+]CCO1 ZINC001170568509 768179347 /nfs/dbraw/zinc/17/93/47/768179347.db2.gz IOMXDFURLZYDST-QMTHXVAHSA-N 1 0 306.366 1.657 20 5 DDBDRO C[C@@H](Nc1ccc2cnccc2c1[N+](=O)[O-])[C@H]1C[NH2+]CCO1 ZINC001170568762 768181285 /nfs/dbraw/zinc/18/12/85/768181285.db2.gz HIOUUBZMOZAMLE-QMTHXVAHSA-N 1 0 302.334 1.932 20 5 DDBDRO [NH3+]Cc1ccc2nnn(-c3c(Cl)nccc3[N+](=O)[O-])c2c1 ZINC001170022290 764073299 /nfs/dbraw/zinc/07/32/99/764073299.db2.gz PLJPJEUDSMHEMT-UHFFFAOYSA-N 1 0 304.697 1.836 20 5 DDBDRO Cc1ccc2c(ccnc2NC[C@H]2COCC[NH2+]2)c1[N+](=O)[O-] ZINC001170034390 764250337 /nfs/dbraw/zinc/25/03/37/764250337.db2.gz CIRXZPOSUVWIJS-NSHDSACASA-N 1 0 302.334 1.852 20 5 DDBDRO Cc1cccc(CN2CC(N(C)C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c1 ZINC001042705037 764373350 /nfs/dbraw/zinc/37/33/50/764373350.db2.gz IESVFUZJVIWNER-HUUCEWRRSA-N 1 0 303.362 1.303 20 5 DDBDRO COc1ccc(C[C@H](C)[NH2+][C@H]2CCCCNC2=O)c([N+](=O)[O-])c1 ZINC001170298269 766227128 /nfs/dbraw/zinc/22/71/28/766227128.db2.gz HZIHMCWIYCIVPM-FZMZJTMJSA-N 1 0 321.377 1.793 20 5 DDBDRO COc1ccc(C[C@H](C)[NH2+]C[C@H]2CCC(=O)N2)c([N+](=O)[O-])c1 ZINC001170297894 766227760 /nfs/dbraw/zinc/22/77/60/766227760.db2.gz VGNHAZRKWHZNIF-CMPLNLGQSA-N 1 0 307.350 1.403 20 5 DDBDRO O=C(Cc1cnoc1)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001132739255 769148743 /nfs/dbraw/zinc/14/87/43/769148743.db2.gz OSLLWTVMXPFSPZ-UHFFFAOYSA-N 1 0 304.306 1.031 20 5 DDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@@H]2C[N@@H+](CCCC3CCC3)C[C@@H]2C1 ZINC001048814643 769933739 /nfs/dbraw/zinc/93/37/39/769933739.db2.gz VQBISLMMABXXGF-QKPAOTATSA-N 1 0 321.421 1.622 20 5 DDBDRO Cc1ccn(CC(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)n1 ZINC001134002369 770538165 /nfs/dbraw/zinc/53/81/65/770538165.db2.gz WOZZYKJVCRLQFV-UHFFFAOYSA-N 1 0 317.349 1.006 20 5 DDBDRO CC[NH+](CC)CC(=O)NCCNc1ccc([N+](=O)[O-])c(C)c1 ZINC001093647041 774947222 /nfs/dbraw/zinc/94/72/22/774947222.db2.gz XHSCQICZDOVDQM-UHFFFAOYSA-N 1 0 308.382 1.773 20 5 DDBDRO Cc1cnc(NCCNC(=O)C2([NH+](C)C)CCC2)c([N+](=O)[O-])c1 ZINC001093926428 775217773 /nfs/dbraw/zinc/21/77/73/775217773.db2.gz AZDVGPLMVGKJFE-UHFFFAOYSA-N 1 0 321.381 1.311 20 5 DDBDRO Cc1nc(NCCNC(=O)C[N@@H+](C)C2CCC2)ccc1[N+](=O)[O-] ZINC001094221799 775543502 /nfs/dbraw/zinc/54/35/02/775543502.db2.gz RHBKZYSTEFYZIH-UHFFFAOYSA-N 1 0 321.381 1.311 20 5 DDBDRO CCC[N@H+](C)CC(=O)NCCCNc1nc(C)ccc1[N+](=O)[O-] ZINC001094517600 775975839 /nfs/dbraw/zinc/97/58/39/775975839.db2.gz ZNZDMCHMEWRVKB-UHFFFAOYSA-N 1 0 323.397 1.558 20 5 DDBDRO Cc1nc(NCCCNC(=O)CCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC001094744832 776243085 /nfs/dbraw/zinc/24/30/85/776243085.db2.gz OGTUEOKDOVTKMH-UHFFFAOYSA-N 1 0 323.397 1.558 20 5 DDBDRO Cc1cc([N+](=O)[O-])cnc1NCCCNC(=O)CC[NH+](C)C ZINC001094751217 776246948 /nfs/dbraw/zinc/24/69/48/776246948.db2.gz GKEXIIFFLHJQKK-UHFFFAOYSA-N 1 0 309.370 1.168 20 5 DDBDRO Cc1ccnc(NCCCNC(=O)CC[NH+](C)C)c1[N+](=O)[O-] ZINC001094752369 776248783 /nfs/dbraw/zinc/24/87/83/776248783.db2.gz QQXQQGLLZHVKAA-UHFFFAOYSA-N 1 0 309.370 1.168 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CC2OCCO2)c1F ZINC001173189318 777036340 /nfs/dbraw/zinc/03/63/40/777036340.db2.gz OJHYSZBXOZEFCL-VIFPVBQESA-N 1 0 314.313 1.636 20 5 DDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@](C)(CO)[C@@H](O)C1 ZINC001173223391 777056930 /nfs/dbraw/zinc/05/69/30/777056930.db2.gz ZNSRRHMZRJZCMO-UHOFOFEASA-N 1 0 308.378 1.591 20 5 DDBDRO COC(=O)CN1CC[NH+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173228401 777062360 /nfs/dbraw/zinc/06/23/60/777062360.db2.gz VYMPCNDUUPCDRO-CYBMUJFWSA-N 1 0 321.377 1.316 20 5 DDBDRO CCC[N@H+](C)CC(=O)N(C)CCNc1ccc([N+](=O)[O-])cc1 ZINC001101704314 777413714 /nfs/dbraw/zinc/41/37/14/777413714.db2.gz BAMPLOPYNFRKSE-UHFFFAOYSA-N 1 0 308.382 1.807 20 5 DDBDRO Cn1ccc(C(=O)NCCC[NH2+]Cc2ccccc2[N+](=O)[O-])n1 ZINC001176080435 778016656 /nfs/dbraw/zinc/01/66/56/778016656.db2.gz IZAVDOYJAYDABE-UHFFFAOYSA-N 1 0 317.349 1.238 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@]2(CCOC2=O)C1 ZINC001177001148 778383449 /nfs/dbraw/zinc/38/34/49/778383449.db2.gz CHFXVJQDZKZOMR-HNNXBMFYSA-N 1 0 306.318 1.742 20 5 DDBDRO Cc1ccc(C[NH2+]C(C)(C)CNS(C)(=O)=O)cc1[N+](=O)[O-] ZINC001179640759 779444563 /nfs/dbraw/zinc/44/45/63/779444563.db2.gz BHVVLSPFLSLPQE-UHFFFAOYSA-N 1 0 315.395 1.321 20 5 DDBDRO O=C(NCC1([NH2+]CCCF)CCCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001115530537 780217509 /nfs/dbraw/zinc/21/75/09/780217509.db2.gz CFUQLAUGWQOOCY-VXGBXAGGSA-N 1 0 301.362 1.420 20 5 DDBDRO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC001116795032 780560538 /nfs/dbraw/zinc/56/05/38/780560538.db2.gz HKALMIWFCANDQI-GHMZBOCLSA-N 1 0 308.338 1.298 20 5 DDBDRO O=C1NCCC12CC[NH+](Cc1ccc(F)cc1[N+](=O)[O-])CC2 ZINC001119265630 781386036 /nfs/dbraw/zinc/38/60/36/781386036.db2.gz QCMLDWFTNLHYAN-UHFFFAOYSA-N 1 0 307.325 1.836 20 5 DDBDRO CC[N@H+](CCNC(=O)CC(C)(C)O)Cc1ccc([N+](=O)[O-])cc1 ZINC001266388141 836196435 /nfs/dbraw/zinc/19/64/35/836196435.db2.gz SUCYROAQCHUSLG-UHFFFAOYSA-N 1 0 323.393 1.694 20 5 DDBDRO CN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)c1cncnc1 ZINC001266681881 836659586 /nfs/dbraw/zinc/65/95/86/836659586.db2.gz GMBPAQZRMCXIMD-UHFFFAOYSA-N 1 0 315.333 1.247 20 5 DDBDRO CN(CC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)CC(C)(C)O ZINC001268235838 839869308 /nfs/dbraw/zinc/86/93/08/839869308.db2.gz PCFQJUHSSZRRTI-UHFFFAOYSA-N 1 0 323.393 1.646 20 5 DDBDRO Cn1cccc1C(=O)NCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001154711899 861383292 /nfs/dbraw/zinc/38/32/92/861383292.db2.gz HIBFUJUZRGEFMA-UHFFFAOYSA-N 1 0 322.390 1.905 20 5 DDBDRO C[NH+](C)C[C@H]1COCCN1c1nc2ccccc2cc1[N+](=O)[O-] ZINC001154977937 861616728 /nfs/dbraw/zinc/61/67/28/861616728.db2.gz PGDBOPQGGVAGCT-ZDUSSCGKSA-N 1 0 316.361 1.910 20 5 DDBDRO CCOC(=O)c1cc(C(=O)NCC[C@H](C)[NH2+]C)cc([N+](=O)[O-])c1 ZINC001326832992 861644122 /nfs/dbraw/zinc/64/41/22/861644122.db2.gz RJLLRSAEROBUEG-JTQLQIEISA-N 1 0 323.349 1.499 20 5 DDBDRO Cc1cncc([N+](=O)[O-])c1N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC001326838558 861647899 /nfs/dbraw/zinc/64/78/99/861647899.db2.gz ITPMQQNMRHVKPJ-AWEZNQCLSA-N 1 0 320.393 1.989 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])cnc1NC[C@@H]1CCC[NH2+]C[C@@H]1C ZINC001155020994 861653661 /nfs/dbraw/zinc/65/36/61/861653661.db2.gz SAGCVWYSLQQOEB-QWRGUYRKSA-N 1 0 322.365 1.824 20 5 DDBDRO Cc1cc(C(=O)NCCC[NH2+]Cc2csc([N+](=O)[O-])c2)[nH]n1 ZINC001155191042 861814184 /nfs/dbraw/zinc/81/41/84/861814184.db2.gz AHKJNNLBMILPGJ-UHFFFAOYSA-N 1 0 323.378 1.598 20 5 DDBDRO O=[N+]([O-])c1cc2ccccc2nc1NC[C@]12C[NH2+]C[C@H]1COC2 ZINC001155515345 862180730 /nfs/dbraw/zinc/18/07/30/862180730.db2.gz FIMOXGUTHCLJSC-LRDDRELGSA-N 1 0 314.345 1.791 20 5 DDBDRO O=[N+]([O-])c1cccc2ccc(NC[C@]34C[NH2+]C[C@H]3COC4)nc21 ZINC001155516621 862182824 /nfs/dbraw/zinc/18/28/24/862182824.db2.gz DQLMNXFSHHQQPI-LRDDRELGSA-N 1 0 314.345 1.791 20 5 DDBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1NC[C@@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001155596780 862274149 /nfs/dbraw/zinc/27/41/49/862274149.db2.gz JCYQGVHNWQJHMT-DOMZBBRYSA-N 1 0 322.365 1.107 20 5 DDBDRO COc1cc(NC[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)ncc1[N+](=O)[O-] ZINC001155601560 862278438 /nfs/dbraw/zinc/27/84/38/862278438.db2.gz ZRMRHIQWLFBUGF-ABAIWWIYSA-N 1 0 322.365 1.569 20 5 DDBDRO COc1cc(N[C@@H]2CCO[C@@]3(CC[NH2+]C3)C2)ncc1[N+](=O)[O-] ZINC001155618322 862296519 /nfs/dbraw/zinc/29/65/19/862296519.db2.gz CWDYIFUYECKSQO-YGRLFVJLSA-N 1 0 308.338 1.321 20 5 DDBDRO CC[N@@H+]1CCC[C@H](CNc2c(C(N)=O)cccc2[N+](=O)[O-])C1 ZINC001327617511 862321465 /nfs/dbraw/zinc/32/14/65/862321465.db2.gz SUTBYDWDJDYHGD-LLVKDONJSA-N 1 0 306.366 1.838 20 5 DDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CC[N@H+](CCCC1CCC1)C2 ZINC001072726023 857642214 /nfs/dbraw/zinc/64/22/14/857642214.db2.gz XWPBCBWHVDRPCF-HUUCEWRRSA-N 1 0 321.421 1.766 20 5 DDBDRO CCn1c(C[N+](=O)[O-])nnc1N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@@H]2C1 ZINC001121791970 858597405 /nfs/dbraw/zinc/59/74/05/858597405.db2.gz PFINGAMIHAJJDF-XQQFMLRXSA-N 1 0 322.413 1.241 20 5 DDBDRO Cc1c(CC(=O)NCC[C@@H]2C[NH2+]C[C@H]2C)cccc1[N+](=O)[O-] ZINC001122228873 858719530 /nfs/dbraw/zinc/71/95/30/858719530.db2.gz IQTNBDUCSHWFHS-BXUZGUMPSA-N 1 0 305.378 1.808 20 5 DDBDRO CCSCCC(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001124130867 859593683 /nfs/dbraw/zinc/59/36/83/859593683.db2.gz WDDKXTWXDBIOPC-UHFFFAOYSA-N 1 0 311.407 1.944 20 5 DDBDRO Cc1nn(C)cc1C(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001124962295 859857897 /nfs/dbraw/zinc/85/78/97/859857897.db2.gz NZQCTUVXVICCHX-UHFFFAOYSA-N 1 0 323.378 1.218 20 5 DDBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1NCc1ccnc(N)c1 ZINC001156757358 863323827 /nfs/dbraw/zinc/32/38/27/863323827.db2.gz SREPXHKQBSZZDV-UHFFFAOYSA-N 1 0 317.305 1.756 20 5 DDBDRO CC[N@@H+]1C[C@H](NC(=O)CCn2cc([N+](=O)[O-])nc2C)C(C)(C)C1 ZINC001156827423 863371355 /nfs/dbraw/zinc/37/13/55/863371355.db2.gz DNYXBSOALJLGHD-LBPRGKRZSA-N 1 0 323.397 1.336 20 5 DDBDRO COc1nc(C)c([N+](=O)[O-])c(N2C[C@H]3[C@H](C2)CCC[N@@H+]3C)n1 ZINC001157263711 863690672 /nfs/dbraw/zinc/69/06/72/863690672.db2.gz BLGDZVAIBDNVEI-QWRGUYRKSA-N 1 0 307.354 1.232 20 5 DDBDRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001329938273 863957144 /nfs/dbraw/zinc/95/71/44/863957144.db2.gz CSYRHRDONZPHIQ-WGRBQBNCSA-N 1 0 318.377 1.960 20 5 DDBDRO C[C@@H]1[C@H]([NH3+])CCCN1c1cc(/C=C/N(C)C)c([N+](=O)[O-])cn1 ZINC001157747576 864098516 /nfs/dbraw/zinc/09/85/16/864098516.db2.gz UZYRYOBBGFYMPA-CFLAWFISSA-N 1 0 305.382 1.838 20 5 DDBDRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)Cc3ccc(Cl)c([N+](=O)[O-])c3)C[C@H]21 ZINC001157917859 864261651 /nfs/dbraw/zinc/26/16/51/864261651.db2.gz SAPLYJRLWAJSKV-HBYGRHMLSA-N 1 0 323.780 1.809 20 5 DDBDRO CC(C)Oc1nc(-n2cc3c(n2)CC[C@H]([NH3+])C3)ccc1[N+](=O)[O-] ZINC001157985460 864332296 /nfs/dbraw/zinc/33/22/96/864332296.db2.gz TVODNDZFAAMQKH-NSHDSACASA-N 1 0 317.349 1.779 20 5 DDBDRO CN(C)/C=C/c1cc(-n2cc(CC[NH3+])cn2)ncc1[N+](=O)[O-] ZINC001158100322 864427209 /nfs/dbraw/zinc/42/72/09/864427209.db2.gz BVGBCGFQKGRJKE-GQCTYLIASA-N 1 0 302.338 1.209 20 5 DDBDRO C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001330593120 864474671 /nfs/dbraw/zinc/47/46/71/864474671.db2.gz KBVBOARKEYKHQK-VMDGIJPJSA-N 1 0 315.373 1.891 20 5 DDBDRO COc1nc(NCc2ncn3c2C[NH2+]CCC3)ccc1[N+](=O)[O-] ZINC001158356571 864600748 /nfs/dbraw/zinc/60/07/48/864600748.db2.gz UWZQJSSCZBMZIQ-UHFFFAOYSA-N 1 0 318.337 1.300 20 5 DDBDRO CCOC(=O)C1=C(Nc2ncc([N+](=O)[O-])cc2C)CC[NH2+]C1 ZINC001159453428 865308467 /nfs/dbraw/zinc/30/84/67/865308467.db2.gz QPLTYOMXVSWRJS-UHFFFAOYSA-N 1 0 306.322 1.521 20 5 DDBDRO Cc1nsc(C)c1C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001277055666 881913213 /nfs/dbraw/zinc/91/32/13/881913213.db2.gz SUJOOQYXELBFPU-ZYHUDNBSSA-N 1 0 324.406 1.164 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc(OC(F)(F)F)cc1 ZINC001225622884 881943647 /nfs/dbraw/zinc/94/36/47/881943647.db2.gz LPTKRGHXQFSAAT-SNVBAGLBSA-N 1 0 322.303 1.948 20 5 DDBDRO Cc1ccc(C[NH+]2CCC(OCC(N)=O)CC2)cc1[N+](=O)[O-] ZINC001319828228 866319811 /nfs/dbraw/zinc/31/98/11/866319811.db2.gz FIGQCMIQSVZLIM-UHFFFAOYSA-N 1 0 307.350 1.370 20 5 DDBDRO C[C@](CO)([NH2+]CC1CCC(O)CC1)c1cccc([N+](=O)[O-])c1 ZINC001333053554 866377214 /nfs/dbraw/zinc/37/72/14/866377214.db2.gz INEYITHPQWVXIK-VDSRIPIWSA-N 1 0 308.378 1.943 20 5 DDBDRO COC(=O)c1ccc(C[NH3+])n1-c1nccc(Cl)c1[N+](=O)[O-] ZINC001161935032 867113099 /nfs/dbraw/zinc/11/30/99/867113099.db2.gz MBYNRDPBYAMKNA-UHFFFAOYSA-N 1 0 310.697 1.679 20 5 DDBDRO Cc1c(C(=O)OCCn2ccc([N+](=O)[O-])n2)ccc2c[nH+]cn21 ZINC001321075695 867289106 /nfs/dbraw/zinc/28/91/06/867289106.db2.gz ZSXWZMHTRUWDKV-UHFFFAOYSA-N 1 0 315.289 1.604 20 5 DDBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N[C@@H]1C=C[C@@H]2C[NH2+]C[C@H]12 ZINC001162798940 867832842 /nfs/dbraw/zinc/83/28/42/867832842.db2.gz VWXRWRPRRMSIQJ-JIMOISOXSA-N 1 0 318.333 1.352 20 5 DDBDRO COc1c([N+](=O)[O-])cc(Cl)c(C)c1N[C@@H]1COC[C@@H]1[NH3+] ZINC001162925357 867921519 /nfs/dbraw/zinc/92/15/19/867921519.db2.gz ZYWINADXEZXGJY-DTWKUNHWSA-N 1 0 301.730 1.703 20 5 DDBDRO CCOC(=O)c1cnc(N[C@@]23CCC[C@@H]2[NH2+]CC3)c([N+](=O)[O-])c1 ZINC001162977615 867967463 /nfs/dbraw/zinc/96/74/63/867967463.db2.gz FVPAPDAQBKOCLH-SWLSCSKDSA-N 1 0 320.349 1.863 20 5 DDBDRO O=[N+]([O-])c1c[nH]c2ncnc(NCc3noc4c3C[NH2+]CC4)c12 ZINC001163125611 868128632 /nfs/dbraw/zinc/12/86/32/868128632.db2.gz BFORJWNURFFIIV-UHFFFAOYSA-N 1 0 315.293 1.064 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cc(C(F)(F)F)ccn1 ZINC001226002920 882156185 /nfs/dbraw/zinc/15/61/85/882156185.db2.gz XJROJECNAXXSQF-SNVBAGLBSA-N 1 0 307.292 1.463 20 5 DDBDRO O=[N+]([O-])c1cccc2c1ccnc2NC[C@@]12C[NH2+][C@@H](CO1)C2 ZINC001163191546 868200166 /nfs/dbraw/zinc/20/01/66/868200166.db2.gz NNDKDEIERSXLEE-MEBBXXQBSA-N 1 0 300.318 1.686 20 5 DDBDRO Cc1c(NC[C@@]23C[NH2+][C@@H](CO2)C3)ccc([N+](=O)[O-])c1[N+](=O)[O-] ZINC001163203481 868211023 /nfs/dbraw/zinc/21/10/23/868211023.db2.gz WOQIRCRKPADBPC-NOZJJQNGSA-N 1 0 308.294 1.354 20 5 DDBDRO O=[N+]([O-])c1cncc(Cl)c1N[C@H]1CCO[C@@]2(CC[NH2+]C2)C1 ZINC001163322278 868350047 /nfs/dbraw/zinc/35/00/47/868350047.db2.gz HKDUWSXVBSFTLG-ZANVPECISA-N 1 0 312.757 1.388 20 5 DDBDRO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC001322735652 868355521 /nfs/dbraw/zinc/35/55/21/868355521.db2.gz DXRWRSORJXVRST-CHWSQXEVSA-N 1 0 324.356 1.919 20 5 DDBDRO Cc1c(N[C@H]2C[NH2+][C@@H]3CCO[C@@H]32)ccc([N+](=O)[O-])c1[N+](=O)[O-] ZINC001163342426 868372907 /nfs/dbraw/zinc/37/29/07/868372907.db2.gz MVIFJZVXYVNUBA-NRUUGDAUSA-N 1 0 308.294 1.353 20 5 DDBDRO O=[N+]([O-])c1c2nsnc2ccc1N[C@H]1C[NH2+][C@@H]2CCO[C@@H]21 ZINC001163342596 868373368 /nfs/dbraw/zinc/37/33/68/868373368.db2.gz ATMKREQDCPUTKB-PTRXPTGYSA-N 1 0 307.335 1.141 20 5 DDBDRO Cc1ccc([C@@H]2C[C@H]2[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC001336049434 868700942 /nfs/dbraw/zinc/70/09/42/868700942.db2.gz UDVOJTIBLWDVBD-OWCLPIDISA-N 1 0 316.361 1.606 20 5 DDBDRO CCO[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1NC)C[NH+](C)C ZINC001336529575 868995773 /nfs/dbraw/zinc/99/57/73/868995773.db2.gz BAHURFKCIDWRPX-GFCCVEGCSA-N 1 0 324.381 1.333 20 5 DDBDRO O=C(NCCC[NH2+]Cc1ccccc1[N+](=O)[O-])[C@H]1[C@@H]2COC[C@@H]21 ZINC001164274226 869078529 /nfs/dbraw/zinc/07/85/29/869078529.db2.gz WIRFDAGBLWOPQP-NHAGDIPZSA-N 1 0 319.361 1.083 20 5 DDBDRO CC[N@H+](C)[C@H]1CCN(c2nccc(C(=O)OC)c2[N+](=O)[O-])C1 ZINC001164401246 869179382 /nfs/dbraw/zinc/17/93/82/869179382.db2.gz WSEYNHTZIAUDPS-JTQLQIEISA-N 1 0 308.338 1.307 20 5 DDBDRO Cc1ncoc1C[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001164494772 869233453 /nfs/dbraw/zinc/23/34/53/869233453.db2.gz RLDPJEHEKWVBNH-VXGBXAGGSA-N 1 0 322.365 1.024 20 5 DDBDRO Nc1cc(N2C[C@H]3c4ccccc4C[NH2+][C@@H]3C2)ncc1[N+](=O)[O-] ZINC001165352401 869539723 /nfs/dbraw/zinc/53/97/23/869539723.db2.gz XPJGURFFTRSKGH-GXTWGEPZSA-N 1 0 311.345 1.648 20 5 DDBDRO CC(C)[NH+]1CCC(CNc2cc([N+](=O)[O-])c(=O)n(C)c2)CC1 ZINC001166616292 870100539 /nfs/dbraw/zinc/10/05/39/870100539.db2.gz ZIURDCRIBCTMSY-UHFFFAOYSA-N 1 0 308.382 1.826 20 5 DDBDRO N=c1sc2c(n1-c1ncc([N+](=O)[O-])cc1Cl)CC[NH2+]C2 ZINC001166860434 870326242 /nfs/dbraw/zinc/32/62/42/870326242.db2.gz WMSOGJRSVVGIPN-UHFFFAOYSA-N 1 0 311.754 1.621 20 5 DDBDRO CCn1c([C@H](C)[N+](=O)[O-])nnc1N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC001339340145 870452075 /nfs/dbraw/zinc/45/20/75/870452075.db2.gz MOXKTVBMGJSKGB-AVGNSLFASA-N 1 0 324.429 1.802 20 5 DDBDRO O=C(Cc1ccccc1[N+](=O)[O-])NCC[C@@H]1CSCC[NH2+]1 ZINC001340381475 871069728 /nfs/dbraw/zinc/06/97/28/871069728.db2.gz LLKPLILDBUSKJD-GFCCVEGCSA-N 1 0 309.391 1.349 20 5 DDBDRO O=C(NC[C@@H]1C[NH2+]CCCO1)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001341800151 871832886 /nfs/dbraw/zinc/83/28/86/871832886.db2.gz XQCASIJEBCEAPG-ZNMIVQPWSA-N 1 0 319.361 1.193 20 5 DDBDRO COc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)cc([N+](=O)[O-])c1C ZINC001342941573 872446605 /nfs/dbraw/zinc/44/66/05/872446605.db2.gz APJMQWDBYCJKGL-GRYCIOLGSA-N 1 0 305.334 1.535 20 5 DDBDRO C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)c3c[nH]nc3[N+](=O)[O-])C[C@@H]2C1 ZINC001345234926 873315568 /nfs/dbraw/zinc/31/55/68/873315568.db2.gz NCBVAPRPCBBYLJ-GARJFASQSA-N 1 0 307.354 1.120 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC001353176094 877161642 /nfs/dbraw/zinc/16/16/42/877161642.db2.gz VJJPIHPWZBCZFJ-SECBINFHSA-N 1 0 314.292 1.273 20 5 DDBDRO C[NH2+]C[C@@H]1CCCCN1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC001353299350 877238542 /nfs/dbraw/zinc/23/85/42/877238542.db2.gz DHNCQCTUNKKKPH-AWEZNQCLSA-N 1 0 306.366 1.878 20 5 DDBDRO N[C@@]1(C(=O)Nc2cc3cccnc3c3ncccc23)CC[NH2+]C1 ZINC001218978792 877848956 /nfs/dbraw/zinc/84/89/56/877848956.db2.gz ANEIPURSXNPOSQ-KRWDZBQOSA-N 1 0 307.357 1.412 20 5 DDBDRO C[C@@H]1CN(CC[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@H](C)CO1 ZINC001356619740 879134508 /nfs/dbraw/zinc/13/45/08/879134508.db2.gz SLQDETIKGXZMQO-IOASZLSFSA-N 1 0 323.393 1.327 20 5 DDBDRO C[NH+](C)[C@@H]1C[C@@H](NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC001357242081 879875123 /nfs/dbraw/zinc/87/51/23/879875123.db2.gz LCWWDTNASGXJFY-RBSFLKMASA-N 1 0 307.394 1.947 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)OCc1ncoc1-c1ccccc1 ZINC001223089384 880823332 /nfs/dbraw/zinc/82/33/32/880823332.db2.gz XJNRFHNSDXEIAY-CQSZACIVSA-N 1 0 319.381 1.842 20 5 DDBDRO CCOC(=O)[C@H](OC(=O)C[C@@H](O)C[N+](C)(C)C)c1ccccc1 ZINC001223620884 881035161 /nfs/dbraw/zinc/03/51/61/881035161.db2.gz KTFBXFGWXHTBFR-GDBMZVCRSA-N 1 0 324.397 1.291 20 5 DDBDRO COC(=O)c1ccc2c(c1)ncnc2O[C@@H](C)C[N+](C)(C)C ZINC001228881448 883712989 /nfs/dbraw/zinc/71/29/89/883712989.db2.gz LCQLWCZIFXPUNS-NSHDSACASA-N 1 0 304.370 1.890 20 5 DDBDRO COc1cccc2c1ccnc2OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001229556668 884045082 /nfs/dbraw/zinc/04/50/82/884045082.db2.gz BDBNTHFJEMDJMP-GFCCVEGCSA-N 1 0 319.381 1.606 20 5 DDBDRO C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@H]2Oc1nc2c[nH]cc([N+](=O)[O-])c-2n1 ZINC001230231462 884381506 /nfs/dbraw/zinc/38/15/06/884381506.db2.gz KKVKIWCBEQOFRM-MSRIBSCDSA-N 1 0 317.349 1.975 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc(Cl)nc1[N+](=O)[O-] ZINC001230879025 885001979 /nfs/dbraw/zinc/00/19/79/885001979.db2.gz KTCDXXMNQRKQQQ-MRVPVSSYSA-N 1 0 318.737 1.006 20 5 DDBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(C(=O)N2CCN(C)CC2)cc1 ZINC001234066527 887607523 /nfs/dbraw/zinc/60/75/23/887607523.db2.gz HPAGHIDUTXEZRW-HNNXBMFYSA-N 1 0 320.457 1.548 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc(Cl)c(F)c1F ZINC001234938750 888257552 /nfs/dbraw/zinc/25/75/52/888257552.db2.gz SJQWSLLGFJXQPC-MRVPVSSYSA-N 1 0 308.732 1.981 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001292121277 913618376 /nfs/dbraw/zinc/61/83/76/913618376.db2.gz BODYNMRKDSLSAX-LLVKDONJSA-N 1 0 319.361 1.960 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC001292121278 913619490 /nfs/dbraw/zinc/61/94/90/913619490.db2.gz BODYNMRKDSLSAX-NSHDSACASA-N 1 0 319.361 1.960 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1-c1nc2cc(C[NH+](C)C)ccc2[nH]1 ZINC001251784927 894814397 /nfs/dbraw/zinc/81/43/97/894814397.db2.gz NGDGRHHXJVBJIL-UHFFFAOYSA-N 1 0 300.322 1.933 20 5 DDBDRO Nc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC001292743249 913972299 /nfs/dbraw/zinc/97/22/99/913972299.db2.gz AVZUXCJZMUKQIH-LBPRGKRZSA-N 1 0 304.350 1.487 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](O)[C@](C)(CO)C1 ZINC001254553826 896499006 /nfs/dbraw/zinc/49/90/06/896499006.db2.gz ZQALIKTUIKTVQP-WQVCFCJDSA-N 1 0 308.378 1.591 20 5 DDBDRO C[NH+](C)C[C@@H]1CN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCO1 ZINC001254593181 896520502 /nfs/dbraw/zinc/52/05/02/896520502.db2.gz JOYLAIHKOCGSSM-JKSUJKDBSA-N 1 0 305.378 1.324 20 5 DDBDRO COC(=O)[C@H]1CCC[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254599698 896525515 /nfs/dbraw/zinc/52/55/15/896525515.db2.gz PAFWHLFEUPVTHR-WFASDCNBSA-N 1 0 304.346 1.947 20 5 DDBDRO CC(=O)N1CCC2(C[NH+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)C1 ZINC001254598231 896525574 /nfs/dbraw/zinc/52/55/74/896525574.db2.gz XNSCHXBSHQDCPJ-MRXNPFEDSA-N 1 0 315.373 1.616 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CCC[C@@H](n3cncn3)C1)C2 ZINC001254604343 896527518 /nfs/dbraw/zinc/52/75/18/896527518.db2.gz VUOYQSNAEDPGDC-HZPDHXFCSA-N 1 0 313.361 1.991 20 5 DDBDRO [NH3+][C@@H]1CCCC[C@H]1C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001261495627 899608035 /nfs/dbraw/zinc/60/80/35/899608035.db2.gz NSNSOJRMIHLBMD-MWLCHTKSSA-N 1 0 303.322 1.927 20 5 DDBDRO CN(CC[N@H+](C)CCO)c1ccc([N+](=O)[O-])c2cccnc21 ZINC001262371464 900135568 /nfs/dbraw/zinc/13/55/68/900135568.db2.gz MFVQOFDEUHDOPL-UHFFFAOYSA-N 1 0 304.350 1.503 20 5 DDBDRO COc1ccc(C(=O)N2CC[C@@H]3CC[C@@]32C[NH3+])cc1[N+](=O)[O-] ZINC001263257254 900549708 /nfs/dbraw/zinc/54/97/08/900549708.db2.gz PLWRGEAHFFPSIP-XHDPSFHLSA-N 1 0 305.334 1.557 20 5 DDBDRO Cc1c(C(=O)N[C@@H]2CC[C@H]3C[N@@H+](C)C[C@H]32)cccc1[N+](=O)[O-] ZINC001263980533 900854433 /nfs/dbraw/zinc/85/44/33/900854433.db2.gz YCHIWWFHESJOCV-IACUBPJLSA-N 1 0 303.362 1.973 20 5 DDBDRO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1N)C(C)(C)C[NH+](C)C ZINC001293652106 914610276 /nfs/dbraw/zinc/61/02/76/914610276.db2.gz ZOPGHFVNBLDLMB-SNVBAGLBSA-N 1 0 308.382 1.883 20 5 DDBDRO COCCC(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001316623519 906506310 /nfs/dbraw/zinc/50/63/10/906506310.db2.gz DAHUOPPVWJFXHJ-MQMHXKEQSA-N 1 0 321.377 1.616 20 5 DDBDRO C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000278308487 214082088 /nfs/dbraw/zinc/08/20/88/214082088.db2.gz STOHKIMXQWEDPU-SCZZXKLOSA-N 1 0 308.294 1.373 20 5 DDBDRO O=C(CC[NH2+][C@H](CO)[C@@H]1CCCO1)Nc1ccccc1[N+](=O)[O-] ZINC000447907623 230503284 /nfs/dbraw/zinc/50/32/84/230503284.db2.gz ACPKIGSPLXMXES-OCCSQVGLSA-N 1 0 323.349 1.053 20 5 DDBDRO Cc1sc(C(=O)N[C@H](CC[NH3+])C(F)(F)F)cc1[N+](=O)[O-] ZINC000449715997 230637545 /nfs/dbraw/zinc/63/75/45/230637545.db2.gz FUPJPWWAJZTAQA-MRVPVSSYSA-N 1 0 311.285 1.974 20 5 DDBDRO COC[C@@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)[C@H]1CCCO1 ZINC000278685291 214325266 /nfs/dbraw/zinc/32/52/66/214325266.db2.gz PGKWJLKQKLIDAP-TZMCWYRMSA-N 1 0 310.350 1.887 20 5 DDBDRO CSC1(CNC(=O)c2ccc([N+](=O)[O-])[nH]2)CC[NH+](C)CC1 ZINC000358105082 299078066 /nfs/dbraw/zinc/07/80/66/299078066.db2.gz GLQRVOXYZGIJSH-UHFFFAOYSA-N 1 0 312.395 1.480 20 5 DDBDRO CO[C@@H]1C[C@H]([NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])C1(C)C ZINC000451501302 231112161 /nfs/dbraw/zinc/11/21/61/231112161.db2.gz OUPNUIOZHNVEDD-QWHCGFSZSA-N 1 0 307.350 1.936 20 5 DDBDRO C[C@H]1C[C@@H](N(C)CCn2cc([N+](=O)[O-])ccc2=O)CC[N@@H+]1C ZINC000090551642 185302771 /nfs/dbraw/zinc/30/27/71/185302771.db2.gz NNRGUYRPHWFPJU-STQMWFEESA-N 1 0 308.382 1.171 20 5 DDBDRO COc1ccc(NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000272809069 210211337 /nfs/dbraw/zinc/21/13/37/210211337.db2.gz IWSBTQUUXYHOHR-GFCCVEGCSA-N 1 0 320.349 1.915 20 5 DDBDRO C[N@@H+]1CC[C@@H](CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000331844450 529793745 /nfs/dbraw/zinc/79/37/45/529793745.db2.gz UCVZSXPOONHHRC-JTQLQIEISA-N 1 0 302.334 1.758 20 5 DDBDRO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC(C)(C)CO ZINC000451248824 529871488 /nfs/dbraw/zinc/87/14/88/529871488.db2.gz PCCHEKMZZZUOJF-UHFFFAOYSA-N 1 0 309.366 1.874 20 5 DDBDRO C[NH2+]C[C@H]1CCCN1C(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC000422889084 530002958 /nfs/dbraw/zinc/00/29/58/530002958.db2.gz FCKZMZJFFYYRES-GFCCVEGCSA-N 1 0 307.350 1.736 20 5 DDBDRO CC1(C)OCC[C@@H]1[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000295283865 282364780 /nfs/dbraw/zinc/36/47/80/282364780.db2.gz SVQSONGNAHWAEK-OCCSQVGLSA-N 1 0 310.350 1.492 20 5 DDBDRO CC1(NS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC[NH2+]CC1 ZINC000229626726 201844732 /nfs/dbraw/zinc/84/47/32/201844732.db2.gz SUEHIEJLGAEKJF-UHFFFAOYSA-N 1 0 313.379 1.156 20 5 DDBDRO Cc1ccc([C@@H](C)[NH2+]CCCC(=O)NC(N)=O)cc1[N+](=O)[O-] ZINC000181808923 199355638 /nfs/dbraw/zinc/35/56/38/199355638.db2.gz IUKBBFDEPDNAPL-SNVBAGLBSA-N 1 0 308.338 1.529 20 5 DDBDRO COc1cc(C(=O)NCC[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000160246383 290769296 /nfs/dbraw/zinc/76/92/96/290769296.db2.gz NNMVEKQWSBJYIC-UHFFFAOYSA-N 1 0 307.350 1.819 20 5 DDBDRO C[C@@H](C[NH+](C)C)NC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000286927842 219229354 /nfs/dbraw/zinc/22/93/54/219229354.db2.gz IWYBRTAFKCHITD-IINYFYTJSA-N 1 0 320.349 1.154 20 5 DDBDRO C[C@@H](CN1CCOCC1)[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000279739385 215106027 /nfs/dbraw/zinc/10/60/27/215106027.db2.gz OOTJFTHMYNRQMO-AWEZNQCLSA-N 1 0 323.393 1.626 20 5 DDBDRO CCCC[C@H](C[NH3+])NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000150302513 186056606 /nfs/dbraw/zinc/05/66/06/186056606.db2.gz GXOSYQFYLDQHKO-SNVBAGLBSA-N 1 0 301.368 1.391 20 5 DDBDRO CC[N@@H+]1CCCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000159733741 186138017 /nfs/dbraw/zinc/13/80/17/186138017.db2.gz LMGJGBSJFCDXNN-UHFFFAOYSA-N 1 0 320.393 1.875 20 5 DDBDRO CC[C@H]1CN(c2cc(C)c([N+](=O)[O-])cn2)CC[N@@H+]1C[C@@H](C)O ZINC000266849090 186358373 /nfs/dbraw/zinc/35/83/73/186358373.db2.gz QBOPVBYYCFYYRJ-OLZOCXBDSA-N 1 0 308.382 1.580 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](OC)C1 ZINC000267839554 186372268 /nfs/dbraw/zinc/37/22/68/186372268.db2.gz UDTLKZJMRWVYEJ-LBPRGKRZSA-N 1 0 323.349 1.653 20 5 DDBDRO C[C@@H](CCNC(=O)c1nn(C)cc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000273332920 186430430 /nfs/dbraw/zinc/43/04/30/186430430.db2.gz YYSNLJDWWPERMD-NSHDSACASA-N 1 0 309.370 1.323 20 5 DDBDRO C[NH+](C)CC1(CNc2nccc(C(N)=O)c2[N+](=O)[O-])CCCC1 ZINC000290934305 186629464 /nfs/dbraw/zinc/62/94/64/186629464.db2.gz KJVNXTJYCPXALI-UHFFFAOYSA-N 1 0 321.381 1.623 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@@H]2CCCC(F)(F)C2)c1 ZINC000564868882 304021168 /nfs/dbraw/zinc/02/11/68/304021168.db2.gz JZLGUVKXDMDDIK-ZYHUDNBSSA-N 1 0 318.324 1.567 20 5 DDBDRO C[C@@]1(O)CCC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000280086609 215365573 /nfs/dbraw/zinc/36/55/73/215365573.db2.gz OETZZGNDABLOOQ-GDBMZVCRSA-N 1 0 324.377 1.571 20 5 DDBDRO C[C@@H](C[NH+](C)C)NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000358518318 299182259 /nfs/dbraw/zinc/18/22/59/299182259.db2.gz JTKSQMYHHSLIOP-NSHDSACASA-N 1 0 306.366 1.613 20 5 DDBDRO CC(C)[NH+]1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000028921458 352233039 /nfs/dbraw/zinc/23/30/39/352233039.db2.gz VRNGDGVAXLHCDM-HNNXBMFYSA-N 1 0 323.393 1.361 20 5 DDBDRO C[C@@H]1C[N@@H+](CCCNC(=O)c2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000036830941 352296326 /nfs/dbraw/zinc/29/63/26/352296326.db2.gz ZLLXNAPIDRQLBT-BETUJISGSA-N 1 0 321.377 1.824 20 5 DDBDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000063665365 352918732 /nfs/dbraw/zinc/91/87/32/352918732.db2.gz KGQOLYTWQWWBLR-ZDUSSCGKSA-N 1 0 323.397 1.562 20 5 DDBDRO CC[NH+]1CCC(CNC(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000067682720 353061841 /nfs/dbraw/zinc/06/18/41/353061841.db2.gz ZVAQTPZXGCSGAS-UHFFFAOYSA-N 1 0 321.377 1.822 20 5 DDBDRO CC[NH+]1CCC(CCNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC1 ZINC000174180857 198302388 /nfs/dbraw/zinc/30/23/88/198302388.db2.gz YJJHGJCSGUNKJC-UHFFFAOYSA-N 1 0 322.365 1.547 20 5 DDBDRO [NH3+]Cc1ccc(C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)cc1 ZINC000564993080 304034286 /nfs/dbraw/zinc/03/42/86/304034286.db2.gz OOVPKYYEVQUQCH-UHFFFAOYSA-N 1 0 312.329 1.647 20 5 DDBDRO CCC[NH+](CCC)CCCNC(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000076465751 353422529 /nfs/dbraw/zinc/42/25/29/353422529.db2.gz JUJRCUXHXFATCO-UHFFFAOYSA-N 1 0 311.386 1.868 20 5 DDBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1cnccn1 ZINC000174653028 198365932 /nfs/dbraw/zinc/36/59/32/198365932.db2.gz DNKYIJWLSQBBSB-UHFFFAOYSA-N 1 0 315.333 1.845 20 5 DDBDRO COc1cc(NC[C@@H](C)C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000078295374 353509838 /nfs/dbraw/zinc/50/98/38/353509838.db2.gz IBUSTFVTKSMCNX-GFCCVEGCSA-N 1 0 309.366 1.984 20 5 DDBDRO COC1CC[NH+](CCNC(=O)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000079682605 353572978 /nfs/dbraw/zinc/57/29/78/353572978.db2.gz XFBRFFBDAJEXFZ-UHFFFAOYSA-N 1 0 321.377 1.744 20 5 DDBDRO Cc1ccc([C@H](C)[NH2+]C[C@H](O)CN2CCCC2=O)cc1[N+](=O)[O-] ZINC000089514841 353774438 /nfs/dbraw/zinc/77/44/38/353774438.db2.gz RNHIHAXAYDNYNE-JSGCOSHPSA-N 1 0 321.377 1.537 20 5 DDBDRO Cc1ccc(C[N@H+](C)C[C@@H](O)CN2CCOCC2)cc1[N+](=O)[O-] ZINC000093583317 353902440 /nfs/dbraw/zinc/90/24/40/353902440.db2.gz DBXZYOZVTUAGHG-OAHLLOKOSA-N 1 0 323.393 1.028 20 5 DDBDRO CC[C@H]1CN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000122642876 354027368 /nfs/dbraw/zinc/02/73/68/354027368.db2.gz BWNXOFHTKQEBPM-QWRGUYRKSA-N 1 0 313.379 1.343 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000125157448 354044389 /nfs/dbraw/zinc/04/43/89/354044389.db2.gz DBYPIYSMVTVBOM-QWRGUYRKSA-N 1 0 313.379 1.451 20 5 DDBDRO COc1cc([N+](=O)[O-])c(C(=O)N(C)CCC[NH3+])cc1SC ZINC000158747841 354231740 /nfs/dbraw/zinc/23/17/40/354231740.db2.gz ALHOWLUBAJZWJX-UHFFFAOYSA-N 1 0 313.379 1.746 20 5 DDBDRO C[C@H]1OCC[C@@]1(C)[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000494225950 235009029 /nfs/dbraw/zinc/00/90/29/235009029.db2.gz DPFQKHRPSNQNDB-IAQYHMDHSA-N 1 0 307.350 1.715 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(CN2C[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000589504375 354998139 /nfs/dbraw/zinc/99/81/39/354998139.db2.gz SDQKWBGNRMVKAF-CHWSQXEVSA-N 1 0 305.334 1.033 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC000590010686 355040358 /nfs/dbraw/zinc/04/03/58/355040358.db2.gz OTTZBKPGGDFLLC-JSGCOSHPSA-N 1 0 318.377 1.478 20 5 DDBDRO Cc1ccsc1[C@@H](CO)[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000494628038 235064163 /nfs/dbraw/zinc/06/41/63/235064163.db2.gz AHBJHBCUQXAKHZ-GFCCVEGCSA-N 1 0 323.374 1.450 20 5 DDBDRO C[N@@H+]1CCC[C@@]2(CCN(c3ccc4ncc([N+](=O)[O-])n4n3)C2)C1 ZINC000590141948 355053219 /nfs/dbraw/zinc/05/32/19/355053219.db2.gz VWQFUFAALZEUKO-OAHLLOKOSA-N 1 0 316.365 1.560 20 5 DDBDRO C[N@@H+]1C[C@@H]2CCN(C(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)[C@@H]2C1 ZINC000590446395 355099385 /nfs/dbraw/zinc/09/93/85/355099385.db2.gz TVSMNOSSPTXYPE-TVQRCGJNSA-N 1 0 315.333 1.247 20 5 DDBDRO CC(C)(CO)CC[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000590655158 355139088 /nfs/dbraw/zinc/13/90/88/355139088.db2.gz BWJCQLDOGJARGW-UHFFFAOYSA-N 1 0 310.350 1.864 20 5 DDBDRO COC(=O)c1cc(C)nc(N2CC[C@@H]3CC[NH2+][C@H]3C2)c1[N+](=O)[O-] ZINC000591437267 355310445 /nfs/dbraw/zinc/31/04/45/355310445.db2.gz FTCQCVQNZKYJAU-JQWIXIFHSA-N 1 0 320.349 1.273 20 5 DDBDRO O=C(CCN1CC[C@@H]2CC[NH2+][C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000591448651 355313684 /nfs/dbraw/zinc/31/36/84/355313684.db2.gz LPSOTZJENGHOGS-SWLSCSKDSA-N 1 0 318.377 1.607 20 5 DDBDRO C[C@@H]1C[NH2+]CC[C@@H]1NCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000591279357 355277022 /nfs/dbraw/zinc/27/70/22/355277022.db2.gz MUIZNVXEDLUKHB-PWSUYJOCSA-N 1 0 307.350 1.454 20 5 DDBDRO C[C@@H]1C[C@H]1c1ccc(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)o1 ZINC000591729267 355374111 /nfs/dbraw/zinc/37/41/11/355374111.db2.gz YNHLQCAURCNXJE-MPKXVKKWSA-N 1 0 320.349 1.658 20 5 DDBDRO C[C@H](C[C@H]1CCOC1)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000591753902 355376993 /nfs/dbraw/zinc/37/69/93/355376993.db2.gz OMMWRTMBOZIBIW-NFAWXSAZSA-N 1 0 324.377 1.739 20 5 DDBDRO Cc1cc(S(=O)(=O)N2CCC(C)([NH3+])CC2)ccc1[N+](=O)[O-] ZINC000592379002 355570331 /nfs/dbraw/zinc/57/03/31/355570331.db2.gz JPYYYUIDVRJVGL-UHFFFAOYSA-N 1 0 313.379 1.405 20 5 DDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC(C)([NH3+])CC1 ZINC000592379004 355570383 /nfs/dbraw/zinc/57/03/83/355570383.db2.gz JVFOVATUKRMCLJ-UHFFFAOYSA-N 1 0 313.379 1.405 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000592544679 355622294 /nfs/dbraw/zinc/62/22/94/355622294.db2.gz HADXXBMJBAOKHV-NEPJUHHUSA-N 1 0 319.361 1.818 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592555243 355626858 /nfs/dbraw/zinc/62/68/58/355626858.db2.gz PIFGXLSEXYWLSL-CHWSQXEVSA-N 1 0 320.393 1.785 20 5 DDBDRO O=C(CNc1ccccc1[N+](=O)[O-])N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000592569072 355632637 /nfs/dbraw/zinc/63/26/37/355632637.db2.gz YKBUVIMVZPBRGN-GFCCVEGCSA-N 1 0 318.377 1.798 20 5 DDBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000593051560 355780741 /nfs/dbraw/zinc/78/07/41/355780741.db2.gz LBJPPGYLRQMDAQ-ZDUSSCGKSA-N 1 0 320.393 1.362 20 5 DDBDRO O=C(CC[N@@H+]1C[C@@H]2C[C@H]1C[S@]2=O)Nc1ccccc1[N+](=O)[O-] ZINC000593104225 355799292 /nfs/dbraw/zinc/79/92/92/355799292.db2.gz XUJBMGFLXUSUBV-WEVHURDZSA-N 1 0 323.374 1.129 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1CN1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000593314305 355851836 /nfs/dbraw/zinc/85/18/36/355851836.db2.gz COPKEADTWYMXJW-CZUORRHYSA-N 1 0 323.393 1.789 20 5 DDBDRO O=[N+]([O-])c1c2cccnc2ccc1N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000593503435 355905816 /nfs/dbraw/zinc/90/58/16/355905816.db2.gz KNMTXBJPBDYPPZ-GFCCVEGCSA-N 1 0 314.345 1.398 20 5 DDBDRO C[C@@H]1CN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])[C@@H](C)C[N@@H+]1C ZINC000593573235 355930306 /nfs/dbraw/zinc/93/03/06/355930306.db2.gz VWKNNMAZCWBHRY-MNOVXSKESA-N 1 0 309.341 1.827 20 5 DDBDRO C[NH+](C)[C@@H](CNC(=O)Cc1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000593415802 355879041 /nfs/dbraw/zinc/87/90/41/355879041.db2.gz VTFOKCQIWYHDDY-AWEZNQCLSA-N 1 0 309.341 1.733 20 5 DDBDRO CC[N@@H+]1CCCN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000593458030 355891513 /nfs/dbraw/zinc/89/15/13/355891513.db2.gz OIGIOTPJMKESSB-UHFFFAOYSA-N 1 0 309.341 1.831 20 5 DDBDRO Cc1cccc(N2CCN(CC[NH+](C)C)C(=O)C2)c1[N+](=O)[O-] ZINC000593486016 355900615 /nfs/dbraw/zinc/90/06/15/355900615.db2.gz GTMOVCFPIQQLBP-UHFFFAOYSA-N 1 0 306.366 1.113 20 5 DDBDRO NC(=O)[C@H]1C[C@@H]([NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000593723948 355977456 /nfs/dbraw/zinc/97/74/56/355977456.db2.gz VOIGFRWNSKYNMR-WHOHXGKFSA-N 1 0 307.354 1.129 20 5 DDBDRO O=C(NCCNc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[NH2+]CC1 ZINC000593902704 356050094 /nfs/dbraw/zinc/05/00/94/356050094.db2.gz URDDLEFDHZRWHD-GFCCVEGCSA-N 1 0 306.366 1.513 20 5 DDBDRO C[C@H]1CCCN(C(=O)CNc2ccccc2[N+](=O)[O-])[C@@H]1CC[NH3+] ZINC000593916234 356057629 /nfs/dbraw/zinc/05/76/29/356057629.db2.gz NRZIVYMZUXXXPD-GXTWGEPZSA-N 1 0 320.393 1.983 20 5 DDBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@H](N2CCOCC2)C1 ZINC000593995887 356081879 /nfs/dbraw/zinc/08/18/79/356081879.db2.gz DAGXSPRORDMQFX-HNNXBMFYSA-N 1 0 305.378 1.891 20 5 DDBDRO CCC(C)(C)[NH+]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000594019853 356090590 /nfs/dbraw/zinc/09/05/90/356090590.db2.gz APKDDDHACGEVQQ-UHFFFAOYSA-N 1 0 322.409 1.563 20 5 DDBDRO CCC(C)(C)[NH+]1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000594593815 356259298 /nfs/dbraw/zinc/25/92/98/356259298.db2.gz DIRYBEFSJHKXSM-UHFFFAOYSA-N 1 0 321.381 1.399 20 5 DDBDRO Cn1cc([N+](=O)[O-])c(C(=O)N2CC[NH2+]C3(CCCCC3)C2)n1 ZINC000594629031 356269320 /nfs/dbraw/zinc/26/93/20/356269320.db2.gz WVDMTWZQPFMACD-UHFFFAOYSA-N 1 0 307.354 1.077 20 5 DDBDRO C[C@H](CCNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000594817397 356326420 /nfs/dbraw/zinc/32/64/20/356326420.db2.gz QQXWNZKBIYAGAU-LLVKDONJSA-N 1 0 315.395 1.354 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)CC(C)(C)[NH3+] ZINC000595115157 356383989 /nfs/dbraw/zinc/38/39/89/356383989.db2.gz AZWSNCWEBLKTRG-UHFFFAOYSA-N 1 0 301.368 1.261 20 5 DDBDRO Cc1noc(C[NH2+][C@@H]2CCCC[C@@H]2N2CCOCC2)c1[N+](=O)[O-] ZINC000595457372 356500478 /nfs/dbraw/zinc/50/04/78/356500478.db2.gz WSOSFQUZLOYMPX-OLZOCXBDSA-N 1 0 324.381 1.624 20 5 DDBDRO COC(=O)[C@@H]1C[N@H+](Cc2onc(C)c2[N+](=O)[O-])C[C@H]1C1CC1 ZINC000595558584 356549824 /nfs/dbraw/zinc/54/98/24/356549824.db2.gz BTDKVGORWZOUMM-WDEREUQCSA-N 1 0 309.322 1.522 20 5 DDBDRO COc1ccc(C[N@@H+]2CC[C@@H](Cn3ccnn3)C2)cc1[N+](=O)[O-] ZINC000595605762 356573284 /nfs/dbraw/zinc/57/32/84/356573284.db2.gz FXXVXFIGDJUPCZ-CYBMUJFWSA-N 1 0 317.349 1.717 20 5 DDBDRO C[C@@H](CO)[C@@H]1CCCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000595679780 356608261 /nfs/dbraw/zinc/60/82/61/356608261.db2.gz YCZWQXSMSAQCKQ-FZMZJTMJSA-N 1 0 321.377 1.677 20 5 DDBDRO C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@H](C)[C@H]1O ZINC000595744148 356632562 /nfs/dbraw/zinc/63/25/62/356632562.db2.gz TVXJDOXJUXFWST-IATRGZMQSA-N 1 0 324.377 1.283 20 5 DDBDRO C[C@@H]1C[NH+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@@H](C)C1O ZINC000595747687 356633628 /nfs/dbraw/zinc/63/36/28/356633628.db2.gz CCBQRMISJONFKC-GHMZBOCLSA-N 1 0 322.361 1.910 20 5 DDBDRO CC[NH2+]CCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000236968055 202099157 /nfs/dbraw/zinc/09/91/57/202099157.db2.gz DIYJZYMWRIIFLU-UHFFFAOYSA-N 1 0 306.366 1.534 20 5 DDBDRO Cn1cc(C[C@@H]2CCC[C@H]2[NH2+]CCn2ccc([N+](=O)[O-])n2)cn1 ZINC000595768663 356645178 /nfs/dbraw/zinc/64/51/78/356645178.db2.gz FZWSQGGVBDJWCR-UONOGXRCSA-N 1 0 318.381 1.526 20 5 DDBDRO O=C(C[NH2+][C@H]1C[C@H](O)C12CCC2)Nc1ccccc1[N+](=O)[O-] ZINC000595779297 356648722 /nfs/dbraw/zinc/64/87/22/356648722.db2.gz BXODZMUNKKERCN-STQMWFEESA-N 1 0 305.334 1.426 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H]1C[C@H](O)C12CCC2 ZINC000595780787 356649439 /nfs/dbraw/zinc/64/94/39/356649439.db2.gz IGENPKFQOMIVSG-KGLIPLIRSA-N 1 0 319.361 1.735 20 5 DDBDRO CC[NH2+]CC1CCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC1 ZINC000236995986 202114844 /nfs/dbraw/zinc/11/48/44/202114844.db2.gz IEGXXFHAJOZFTG-UHFFFAOYSA-N 1 0 323.397 1.375 20 5 DDBDRO COc1ccc(OCC[N@@H+]2C[C@@H]3COC[C@]3(C)C2)c([N+](=O)[O-])c1 ZINC000595762098 356641868 /nfs/dbraw/zinc/64/18/68/356641868.db2.gz ZXPOWZPUZRFGGD-WBMJQRKESA-N 1 0 322.361 1.951 20 5 DDBDRO O=C(CC[N@@H+]1CC[C@H]2COC[C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000595826937 356665936 /nfs/dbraw/zinc/66/59/36/356665936.db2.gz BESAWYNBWBZWAS-STQMWFEESA-N 1 0 319.361 1.892 20 5 DDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H](C)[C@](C)(CO)C1 ZINC000595869411 356686171 /nfs/dbraw/zinc/68/61/71/356686171.db2.gz CWGFIAOHWNAVAQ-HSMVNMDESA-N 1 0 321.377 1.872 20 5 DDBDRO Cc1noc(CN2CCO[C@@H](CCC[NH+](C)C)C2)c1[N+](=O)[O-] ZINC000595905135 356699740 /nfs/dbraw/zinc/69/97/40/356699740.db2.gz KVCZIMMDGUIBNH-LBPRGKRZSA-N 1 0 312.370 1.434 20 5 DDBDRO [NH3+]CC12CC(C1)CN2CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000595908154 356700575 /nfs/dbraw/zinc/70/05/75/356700575.db2.gz FXZATSWVXBHZTH-UHFFFAOYSA-N 1 0 304.350 1.347 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000595907458 356700744 /nfs/dbraw/zinc/70/07/44/356700744.db2.gz UULMAFVUBRJTTL-CHWSQXEVSA-N 1 0 324.356 1.603 20 5 DDBDRO [NH3+]CC12CC(C1)CN2Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000595911284 356702274 /nfs/dbraw/zinc/70/22/74/356702274.db2.gz UHFPDYVEYFCNJU-UHFFFAOYSA-N 1 0 315.333 1.568 20 5 DDBDRO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595962367 356725449 /nfs/dbraw/zinc/72/54/49/356725449.db2.gz QFRISNACKFWPTP-LBPRGKRZSA-N 1 0 306.366 1.775 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CC2CCC(O)CC2)c1 ZINC000596066857 356759318 /nfs/dbraw/zinc/75/93/18/356759318.db2.gz VHEITCWLBGDDDX-PESDSKBTSA-N 1 0 324.377 1.475 20 5 DDBDRO C[NH+](C)CCn1cc(Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)cn1 ZINC000596096470 356770555 /nfs/dbraw/zinc/77/05/55/356770555.db2.gz HTTFZVWHZMNALC-UHFFFAOYSA-N 1 0 318.337 1.195 20 5 DDBDRO C[N@@H+]1CCC[C@@]2(CCN(c3ccc([N+](=O)[O-])c(C(N)=O)c3)C2)C1 ZINC000596242838 356829755 /nfs/dbraw/zinc/82/97/55/356829755.db2.gz ARNHOWRHHKRLGP-MRXNPFEDSA-N 1 0 318.377 1.616 20 5 DDBDRO C[C@H]1CN(c2ccc(N)c([N+](=O)[O-])n2)CC[N@@H+](C2CCC2)C1 ZINC000596241229 356829851 /nfs/dbraw/zinc/82/98/51/356829851.db2.gz PQDBRYFSUFYABK-LLVKDONJSA-N 1 0 305.382 1.883 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000237190809 202182545 /nfs/dbraw/zinc/18/25/45/202182545.db2.gz YZPXROOEEWXDIR-NSHDSACASA-N 1 0 307.350 1.723 20 5 DDBDRO CC[N@@H+]1CCCN(c2nccc(C(N)=O)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000596269594 356838736 /nfs/dbraw/zinc/83/87/36/356838736.db2.gz UTFJBNONMWGNSU-JTQLQIEISA-N 1 0 307.354 1.009 20 5 DDBDRO CC[C@@H](NCc1nc(C[NH3+])cc(=O)[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000596654390 356943349 /nfs/dbraw/zinc/94/33/49/356943349.db2.gz NTJSVVNVTKRTJU-CYBMUJFWSA-N 1 0 317.349 1.790 20 5 DDBDRO C[NH2+]C[C@H]1CCCN1C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000237225396 202195864 /nfs/dbraw/zinc/19/58/64/202195864.db2.gz ZOVGRMRYHSROEA-GFCCVEGCSA-N 1 0 306.366 1.241 20 5 DDBDRO COC(=O)[C@@H]1OCC[C@@H]1[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000597188649 357087775 /nfs/dbraw/zinc/08/77/75/357087775.db2.gz XTZAERAYLBQSAN-OSAQELSMSA-N 1 0 322.361 1.836 20 5 DDBDRO COc1ccc(CC(=O)N2CC[C@@H]([NH+](C)C)[C@H]2C)cc1[N+](=O)[O-] ZINC000597700588 357291141 /nfs/dbraw/zinc/29/11/41/357291141.db2.gz OBLPLVHZEAKGMF-DGCLKSJQSA-N 1 0 321.377 1.697 20 5 DDBDRO C[NH+](C)CC1CN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC000597707375 357294609 /nfs/dbraw/zinc/29/46/09/357294609.db2.gz FEQJSSUVQWKCIW-UHFFFAOYSA-N 1 0 302.334 1.710 20 5 DDBDRO CCN(C(=O)CNc1ccccc1[N+](=O)[O-])[C@H]1CC[N@H+](C)C1 ZINC000597947224 357394531 /nfs/dbraw/zinc/39/45/31/357394531.db2.gz WABXGJMKMGWTNT-LBPRGKRZSA-N 1 0 306.366 1.559 20 5 DDBDRO CN(CC1C[NH+](C)C1)C(=O)CSc1ccccc1[N+](=O)[O-] ZINC000598162021 357478894 /nfs/dbraw/zinc/47/88/94/357478894.db2.gz GNVUISMEUFHFQD-UHFFFAOYSA-N 1 0 309.391 1.707 20 5 DDBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)N2CCNC2=O)cc1[N+](=O)[O-] ZINC000178689512 198912471 /nfs/dbraw/zinc/91/24/71/198912471.db2.gz OCOGTYXTYYDQTQ-GHMZBOCLSA-N 1 0 320.349 1.494 20 5 DDBDRO CCC[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000598341624 357544457 /nfs/dbraw/zinc/54/44/57/357544457.db2.gz DWFRANBJCXIICE-NSHDSACASA-N 1 0 307.350 1.818 20 5 DDBDRO C[NH+](C)CCC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)CCO1 ZINC000598545972 357628689 /nfs/dbraw/zinc/62/86/89/357628689.db2.gz SYWOCHGEARTCEN-LLVKDONJSA-N 1 0 311.338 1.371 20 5 DDBDRO CC[N@@H+]1CCC[C@H]1CNc1nccc(C(=O)OC)c1[N+](=O)[O-] ZINC000598588079 357642143 /nfs/dbraw/zinc/64/21/43/357642143.db2.gz YWWYDNQTDWJAFD-JTQLQIEISA-N 1 0 308.338 1.673 20 5 DDBDRO [NH3+][C@]12CCC[C@@H]1CN(C(=O)COc1ccc([N+](=O)[O-])cc1)C2 ZINC000598667440 357677201 /nfs/dbraw/zinc/67/72/01/357677201.db2.gz HIGMJPKHUJSQLL-ABAIWWIYSA-N 1 0 305.334 1.313 20 5 DDBDRO [NH3+][C@]12CCC[C@H]1CN(S(=O)(=O)c1cccc([N+](=O)[O-])c1)C2 ZINC000598723233 357704133 /nfs/dbraw/zinc/70/41/33/357704133.db2.gz FOKJBWJVNIYMOW-GWCFXTLKSA-N 1 0 311.363 1.097 20 5 DDBDRO CCOC(=O)c1cc(NCC[N@@H+]2CC[C@@H](O)C2)ccc1[N+](=O)[O-] ZINC000599175700 357840449 /nfs/dbraw/zinc/84/04/49/357840449.db2.gz INSCOMUYUHALKK-GFCCVEGCSA-N 1 0 323.349 1.250 20 5 DDBDRO CC[C@@H]1CN(c2nc(C(=O)OC)ccc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000599179701 357841618 /nfs/dbraw/zinc/84/16/18/357841618.db2.gz RHVSANMAAHFVFT-VHSXEESVSA-N 1 0 308.338 1.353 20 5 DDBDRO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000599622395 357995695 /nfs/dbraw/zinc/99/56/95/357995695.db2.gz BPLIXVOPTLYSHP-KIGUWFBYSA-N 1 0 307.350 1.935 20 5 DDBDRO C[C@H](NC(=O)NCC1([NH3+])CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000599908701 358078730 /nfs/dbraw/zinc/07/87/30/358078730.db2.gz UOYJBNHVVNXJNR-NSHDSACASA-N 1 0 322.365 1.463 20 5 DDBDRO C[C@@H]1CC[C@H](NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])C[NH2+]1 ZINC000599932586 358084526 /nfs/dbraw/zinc/08/45/26/358084526.db2.gz BOKTVVIDDGJDLT-OCCSQVGLSA-N 1 0 320.393 1.919 20 5 DDBDRO CC(C)[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000180506524 199169492 /nfs/dbraw/zinc/16/94/92/199169492.db2.gz AKEVABHMTJFWFW-UHFFFAOYSA-N 1 0 307.354 1.175 20 5 DDBDRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000237358475 202242572 /nfs/dbraw/zinc/24/25/72/202242572.db2.gz ZGLPHFSHTJEFLM-ZJUUUORDSA-N 1 0 317.349 1.671 20 5 DDBDRO CC(C)(C)[C@@H](CO)[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000180632712 199187777 /nfs/dbraw/zinc/18/77/77/199187777.db2.gz KMEJRHHMYYBPTI-CYBMUJFWSA-N 1 0 310.350 1.958 20 5 DDBDRO O=[N+]([O-])c1ccccc1OCc1cn(CC[NH+]2CCCC2)nn1 ZINC000600978800 358367612 /nfs/dbraw/zinc/36/76/12/358367612.db2.gz UAGBHHGVXRLWQW-UHFFFAOYSA-N 1 0 317.349 1.861 20 5 DDBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@@H]1CCCS(=O)(=O)CC1 ZINC000602010054 358775946 /nfs/dbraw/zinc/77/59/46/358775946.db2.gz BDAHMWIQORULFY-CYBMUJFWSA-N 1 0 312.391 1.694 20 5 DDBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000602152955 358851187 /nfs/dbraw/zinc/85/11/87/358851187.db2.gz ZPDFVMAATNBVIR-AWEZNQCLSA-N 1 0 305.378 1.938 20 5 DDBDRO [NH3+][C@H]1CC=C(C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000602429557 358970780 /nfs/dbraw/zinc/97/07/80/358970780.db2.gz GCOWQVXNKYLTGK-ZDUSSCGKSA-N 1 0 316.361 1.291 20 5 DDBDRO CC(C)(O)C[NH+]1CCC(NCc2ccccc2[N+](=O)[O-])CC1 ZINC000602516782 359022308 /nfs/dbraw/zinc/02/23/08/359022308.db2.gz RDWCHNUNZNXWQM-UHFFFAOYSA-N 1 0 307.394 1.920 20 5 DDBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@H](C)N1CCOCC1 ZINC000602568907 359049070 /nfs/dbraw/zinc/04/90/70/359049070.db2.gz ZGHDKBZGJKCGTF-KBPBESRZSA-N 1 0 307.394 1.836 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H](OC)[C@@H]1CCOC1 ZINC000602547146 359038294 /nfs/dbraw/zinc/03/82/94/359038294.db2.gz AIYXGUUQWJEITO-IAQYHMDHSA-N 1 0 310.350 1.745 20 5 DDBDRO C[C@H]1CC[C@H](NC(=O)CN(C)c2ccccc2[N+](=O)[O-])C[NH2+]1 ZINC000602556840 359043354 /nfs/dbraw/zinc/04/33/54/359043354.db2.gz WCAIMGYLOOVYLV-RYUDHWBXSA-N 1 0 306.366 1.288 20 5 DDBDRO C[NH2+]CCOCCNC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000602562973 359046509 /nfs/dbraw/zinc/04/65/09/359046509.db2.gz JAZNNORSKBZWRT-UHFFFAOYSA-N 1 0 323.393 1.858 20 5 DDBDRO O=C(CNc1ccccc1[N+](=O)[O-])N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000602604272 359068215 /nfs/dbraw/zinc/06/82/15/359068215.db2.gz NRZWPOTWQKHNTB-TZMCWYRMSA-N 1 0 318.377 1.607 20 5 DDBDRO CN(CC(=O)N1CCCCC[C@@H]([NH3+])C1)c1ccccc1[N+](=O)[O-] ZINC000602582337 359054357 /nfs/dbraw/zinc/05/43/57/359054357.db2.gz WPROMRZVDFPKQB-CYBMUJFWSA-N 1 0 320.393 1.761 20 5 DDBDRO Cc1c(C[N@@H+]2C[C@]3(C)C(=O)NC(=O)[C@]3(C)C2)cccc1[N+](=O)[O-] ZINC000602726441 359153180 /nfs/dbraw/zinc/15/31/80/359153180.db2.gz WQMCXADCVWAZBL-IYBDPMFKSA-N 1 0 317.345 1.388 20 5 DDBDRO O=[N+]([O-])c1ccc(CC[NH+]2CCC(CCO)(CCO)CC2)cc1 ZINC000602730630 359153789 /nfs/dbraw/zinc/15/37/89/359153789.db2.gz CKROPLQTQRDVFX-UHFFFAOYSA-N 1 0 322.405 1.984 20 5 DDBDRO Cn1cc(C[NH2+]C2(CO)C3CC4CC(C3)CC2C4)c([N+](=O)[O-])n1 ZINC000602843856 359232657 /nfs/dbraw/zinc/23/26/57/359232657.db2.gz ILXFJOGGEBORRW-UHFFFAOYSA-N 1 0 320.393 1.605 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](CO)c1ccccc1C ZINC000602807212 359204139 /nfs/dbraw/zinc/20/41/39/359204139.db2.gz QWDKCTKEJATOKN-CQSZACIVSA-N 1 0 304.350 1.731 20 5 DDBDRO CCOC1CC2(C1)CC[N@H+](CCn1c(C)ncc1[N+](=O)[O-])C2 ZINC000602830027 359222376 /nfs/dbraw/zinc/22/23/76/359222376.db2.gz ULQAJDGQRNIKAY-UHFFFAOYSA-N 1 0 308.382 1.991 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000602915118 359291749 /nfs/dbraw/zinc/29/17/49/359291749.db2.gz JKZIHDPSPHUFJT-IDFMNXDXSA-N 1 0 312.395 1.085 20 5 DDBDRO CCn1nccc1CC[NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602963736 359328137 /nfs/dbraw/zinc/32/81/37/359328137.db2.gz ZKARILVFKNJTLN-INIZCTEOSA-N 1 0 318.377 1.851 20 5 DDBDRO C[NH2+][C@H](C)c1cn(Cc2cc(OC)c(F)cc2[N+](=O)[O-])nn1 ZINC000603234953 359503551 /nfs/dbraw/zinc/50/35/51/359503551.db2.gz DRWRGDUCMQLPJI-MRVPVSSYSA-N 1 0 309.301 1.663 20 5 DDBDRO [NH3+]CC[C@H]1CCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000070149359 283446158 /nfs/dbraw/zinc/44/61/58/283446158.db2.gz WWGBLZJPLNUOII-LLVKDONJSA-N 1 0 313.379 1.487 20 5 DDBDRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000186876381 200026095 /nfs/dbraw/zinc/02/60/95/200026095.db2.gz NUSJTKOBZCILRL-SWLSCSKDSA-N 1 0 320.393 1.901 20 5 DDBDRO C[C@H]1[NH2+]CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])[C@@H]1C ZINC000262784100 291194816 /nfs/dbraw/zinc/19/48/16/291194816.db2.gz PSIXVCLJSBNUDH-RKDXNWHRSA-N 1 0 317.342 1.105 20 5 DDBDRO C[C@@H]1CC[C@](CO)([N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000187963185 200184211 /nfs/dbraw/zinc/18/42/11/200184211.db2.gz QOYFSAWGCNGBHS-DOMZBBRYSA-N 1 0 309.366 1.239 20 5 DDBDRO Cc1nn(CCCN2CC[NH+](C(C)C)CC2)c(C)c1[N+](=O)[O-] ZINC000188185146 200205604 /nfs/dbraw/zinc/20/56/04/200205604.db2.gz JLISQZICEODZGS-UHFFFAOYSA-N 1 0 309.414 1.824 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000604551755 359764982 /nfs/dbraw/zinc/76/49/82/359764982.db2.gz BXKBLMKTTDREKC-NSHDSACASA-N 1 0 323.397 1.336 20 5 DDBDRO O=C(COc1cccc([N+](=O)[O-])c1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000609382543 360303124 /nfs/dbraw/zinc/30/31/24/360303124.db2.gz BZOAUEGMORXJOI-CYBMUJFWSA-N 1 0 319.361 1.574 20 5 DDBDRO CC(C)[NH2+][C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C1 ZINC000609135334 360264029 /nfs/dbraw/zinc/26/40/29/360264029.db2.gz FLUVBOUKVOAHJU-JTQLQIEISA-N 1 0 308.338 1.298 20 5 DDBDRO C[N@@H+]1CCCC[C@@H]1C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000609546564 360322382 /nfs/dbraw/zinc/32/23/82/360322382.db2.gz BAGDBMVBTDKVTH-CQSZACIVSA-N 1 0 306.366 1.607 20 5 DDBDRO C[C@@H](NC(=O)CNc1ccccc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000609583832 360329280 /nfs/dbraw/zinc/32/92/80/360329280.db2.gz YDVWELWDHYLFLL-GFCCVEGCSA-N 1 0 320.393 1.853 20 5 DDBDRO CN(CCCC[NH+](C)C)C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000610112079 360383202 /nfs/dbraw/zinc/38/32/02/360383202.db2.gz VCCWIDFVFHAAGJ-UHFFFAOYSA-N 1 0 308.382 1.807 20 5 DDBDRO COCC[N@@H+]1CCC[C@H](NC(=O)c2cc(C)ccc2[N+](=O)[O-])C1 ZINC000610240011 360395732 /nfs/dbraw/zinc/39/57/32/360395732.db2.gz VBYPZTSXGDZLIX-ZDUSSCGKSA-N 1 0 321.377 1.744 20 5 DDBDRO O=[N+]([O-])c1cnc(N2CCC[C@@H]2C[N@H+]2CCC[C@H]2CO)s1 ZINC000374490958 307209112 /nfs/dbraw/zinc/20/91/12/307209112.db2.gz XWLYQRBPCMUFOL-MNOVXSKESA-N 1 0 312.395 1.477 20 5 DDBDRO CCC[C@@H]1C[NH2+]CCN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000359037937 299313529 /nfs/dbraw/zinc/31/35/29/299313529.db2.gz FAYKNRBOKYDTNQ-OAHLLOKOSA-N 1 0 320.393 1.632 20 5 DDBDRO Nc1cc(N2CCC[C@@H]([NH+]3CCCC3)C2)cc(CO)c1[N+](=O)[O-] ZINC000611525851 360748118 /nfs/dbraw/zinc/74/81/18/360748118.db2.gz XCYPEUYOSKHHPN-CYBMUJFWSA-N 1 0 320.393 1.734 20 5 DDBDRO O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CC(Oc2ccncc2)C1 ZINC000611556034 360758791 /nfs/dbraw/zinc/75/87/91/360758791.db2.gz NERRVNVMFIHQKC-UHFFFAOYSA-N 1 0 315.285 1.599 20 5 DDBDRO CCO[C@@H]1CCC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000612030394 360894368 /nfs/dbraw/zinc/89/43/68/360894368.db2.gz UMSDEWJTKNQMKR-UONOGXRCSA-N 1 0 324.377 1.835 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@@H]2CC[NH2+]C2)c1 ZINC000193239401 201010866 /nfs/dbraw/zinc/01/08/66/201010866.db2.gz SDTKIQAEGJHFGJ-MRVPVSSYSA-N 1 0 319.770 1.197 20 5 DDBDRO C[C@@H]1CC[NH2+]C[C@@H]1NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000193409940 201048565 /nfs/dbraw/zinc/04/85/65/201048565.db2.gz QVLMOLKPOYIYQT-MFKMUULPSA-N 1 0 313.379 1.012 20 5 DDBDRO CCC[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000193343222 201034179 /nfs/dbraw/zinc/03/41/79/201034179.db2.gz NGXSWDRVVNUHLA-UHFFFAOYSA-N 1 0 301.368 1.181 20 5 DDBDRO Cc1cc(S(=O)(=O)N[C@H]2C[NH2+]CC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000193399601 201046624 /nfs/dbraw/zinc/04/66/24/201046624.db2.gz BRWZUZOFAIGWRS-CABZTGNLSA-N 1 0 313.379 1.180 20 5 DDBDRO Cc1c(C(=O)N[C@@H]2CCC[NH2+][C@@H]2C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000193615105 201087508 /nfs/dbraw/zinc/08/75/08/201087508.db2.gz UDLLNKVEGCOQTI-BXKDBHETSA-N 1 0 322.321 1.682 20 5 DDBDRO Cc1cn(C[C@H](O)C[N@@H+](C)Cc2ccccc2)nc1[N+](=O)[O-] ZINC000619525396 364048216 /nfs/dbraw/zinc/04/82/16/364048216.db2.gz NSEGZLAVJQVBDZ-CQSZACIVSA-N 1 0 304.350 1.593 20 5 DDBDRO COC[C@@H](O)CC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000090950139 192961593 /nfs/dbraw/zinc/96/15/93/192961593.db2.gz QQZRVVVBSYRWGY-GJZGRUSLSA-N 1 0 308.378 1.903 20 5 DDBDRO CCC[C@H]1C[NH2+]CCN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000359208174 299355513 /nfs/dbraw/zinc/35/55/13/299355513.db2.gz HYZXCTPAZHFILG-NSHDSACASA-N 1 0 317.349 1.685 20 5 DDBDRO COc1ccc(CC(=O)N2CCC3(CC[NH2+]3)CC2)cc1[N+](=O)[O-] ZINC000566207990 304129076 /nfs/dbraw/zinc/12/90/76/304129076.db2.gz FCJFYSRQNCMWLV-UHFFFAOYSA-N 1 0 319.361 1.500 20 5 DDBDRO O=C(Cn1cc([N+](=O)[O-])cn1)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000261715208 203099692 /nfs/dbraw/zinc/09/96/92/203099692.db2.gz KZIXUMNEYBDSBZ-UHFFFAOYSA-N 1 0 319.296 1.215 20 5 DDBDRO COc1cc(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)ccc1[N+](=O)[O-] ZINC000261777275 203114195 /nfs/dbraw/zinc/11/41/95/203114195.db2.gz KWAUVFPHBCMIEF-BETUJISGSA-N 1 0 319.361 1.675 20 5 DDBDRO COc1ccc(C(=O)N2CCC3(CC[NH2+]C3)CC2)cc1[N+](=O)[O-] ZINC000261849879 203134086 /nfs/dbraw/zinc/13/40/86/203134086.db2.gz QJZIXUHCRGAMLK-UHFFFAOYSA-N 1 0 319.361 1.819 20 5 DDBDRO Cc1cc(C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)cc([N+](=O)[O-])c1 ZINC000261949537 203158709 /nfs/dbraw/zinc/15/87/09/203158709.db2.gz WEABORLRCQALMB-CQSZACIVSA-N 1 0 318.377 1.023 20 5 DDBDRO COc1ccc(C(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000262460411 203300196 /nfs/dbraw/zinc/30/01/96/203300196.db2.gz IMNJONAADMCNRS-PWSUYJOCSA-N 1 0 307.350 1.803 20 5 DDBDRO COc1cc(OCC(=O)N2CC[NH2+][C@@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000262734381 203395403 /nfs/dbraw/zinc/39/54/03/203395403.db2.gz CCEHEYLHJOLBBZ-WDEREUQCSA-N 1 0 323.349 1.191 20 5 DDBDRO Cc1nn(CCC(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])c(C)c1[N+](=O)[O-] ZINC000262738159 203395817 /nfs/dbraw/zinc/39/58/17/203395817.db2.gz HCLGMHLLHXSNLB-ZWNOBZJWSA-N 1 0 323.397 1.527 20 5 DDBDRO Cc1ccc([C@H](C)[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000271721728 209155415 /nfs/dbraw/zinc/15/54/15/209155415.db2.gz WTRYTOLNWRZXNM-WFASDCNBSA-N 1 0 304.350 1.811 20 5 DDBDRO C[NH+](C)CC1(NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)CCC1 ZINC000282650822 217152497 /nfs/dbraw/zinc/15/24/97/217152497.db2.gz ARHCTGJLRFWCGX-UHFFFAOYSA-N 1 0 310.329 1.530 20 5 DDBDRO C[C@@H]([NH2+]C[C@H](O)COC1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000271685686 209125326 /nfs/dbraw/zinc/12/53/26/209125326.db2.gz DIVNHBTUACFMHC-OLZOCXBDSA-N 1 0 324.377 1.802 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N(C)CC[N@H+](C)C2CC2)c1 ZINC000351544861 284370997 /nfs/dbraw/zinc/37/09/97/284370997.db2.gz NUDBAFOCUUUCLN-UHFFFAOYSA-N 1 0 307.350 1.912 20 5 DDBDRO CC[NH+]1CCC(CCNC(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC000270827620 248688595 /nfs/dbraw/zinc/68/85/95/248688595.db2.gz SGNVPFFSNQSJNQ-UHFFFAOYSA-N 1 0 309.370 1.180 20 5 DDBDRO COc1ccc(C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000334042161 249190177 /nfs/dbraw/zinc/19/01/77/249190177.db2.gz GZFYJTBZHWJYGS-JQWIXIFHSA-N 1 0 307.350 1.816 20 5 DDBDRO CC[NH+](CC)CCC[C@H](C)NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000042538777 183283038 /nfs/dbraw/zinc/28/30/38/183283038.db2.gz GSHZGBPCNUWTDR-LBPRGKRZSA-N 1 0 311.386 1.418 20 5 DDBDRO C[C@@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1cn[nH]c1 ZINC000274117215 211368370 /nfs/dbraw/zinc/36/83/70/211368370.db2.gz USCGPNITLPBEJA-SNVBAGLBSA-N 1 0 303.322 1.632 20 5 DDBDRO C[N@@H+]1CC[C@@H]2OCCN(CCOc3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000284740401 218157247 /nfs/dbraw/zinc/15/72/47/218157247.db2.gz DJIMXOKRVHQONB-HOTGVXAUSA-N 1 0 321.377 1.379 20 5 DDBDRO CC(C)(C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)n1cc([N+](=O)[O-])cn1 ZINC000338670298 250084834 /nfs/dbraw/zinc/08/48/34/250084834.db2.gz BQPFSPNPUCROKD-VXGBXAGGSA-N 1 0 321.381 1.269 20 5 DDBDRO CCc1oc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)cc1C(=O)OC ZINC000338943020 250211297 /nfs/dbraw/zinc/21/12/97/250211297.db2.gz RGWANANRFSBCRL-UHFFFAOYSA-N 1 0 322.321 1.523 20 5 DDBDRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000285007070 218253530 /nfs/dbraw/zinc/25/35/30/218253530.db2.gz CUQFTWPTKMWMAR-JTQLQIEISA-N 1 0 309.370 1.558 20 5 DDBDRO C[NH+](C)Cc1ccc(C(=O)NCc2ccccc2[N+](=O)[O-])cn1 ZINC000339267002 250377340 /nfs/dbraw/zinc/37/73/40/250377340.db2.gz VPDAFSDYBWBWTN-UHFFFAOYSA-N 1 0 314.345 1.981 20 5 DDBDRO Cc1ccc(CN(CC[NH+](C)C)C(=O)c2cc([N+](=O)[O-])n[nH]2)o1 ZINC000285054195 218272407 /nfs/dbraw/zinc/27/24/07/218272407.db2.gz HUYNUVPSDDTXAE-UHFFFAOYSA-N 1 0 321.337 1.423 20 5 DDBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000110991877 194378391 /nfs/dbraw/zinc/37/83/91/194378391.db2.gz MFJGGWJKWKODBV-GFCCVEGCSA-N 1 0 309.370 1.090 20 5 DDBDRO C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)NC(=O)NC1CC1 ZINC000056196679 184007063 /nfs/dbraw/zinc/00/70/63/184007063.db2.gz GCYYIFNOMLEBKH-NXEZZACHSA-N 1 0 320.349 1.622 20 5 DDBDRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000058969331 184132874 /nfs/dbraw/zinc/13/28/74/184132874.db2.gz TYPJVMALEKWICN-UHFFFAOYSA-N 1 0 324.381 1.286 20 5 DDBDRO CC[C@@H]1C[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@H]1O ZINC000341042246 251350197 /nfs/dbraw/zinc/35/01/97/251350197.db2.gz HEUQOASJMYLDNJ-BYCMXARLSA-N 1 0 319.361 1.403 20 5 DDBDRO C[C@@H]1CN(C(=O)CSc2ccc([N+](=O)[O-])cc2)CC[C@H]1[NH3+] ZINC000269194256 207314758 /nfs/dbraw/zinc/31/47/58/207314758.db2.gz IDECRZGLVILKAI-ZWNOBZJWSA-N 1 0 309.391 1.883 20 5 DDBDRO COCC[N@@H+]1CC[C@@H](NC(=O)/C=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000491564788 532977025 /nfs/dbraw/zinc/97/70/25/532977025.db2.gz ZAIKOVMKVHMVPY-GEXIGZQTSA-N 1 0 319.361 1.445 20 5 DDBDRO C[C@@H]([NH3+])[C@H]1CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000447247180 533002379 /nfs/dbraw/zinc/00/23/79/533002379.db2.gz QEKPGWDYONZUAD-PWSUYJOCSA-N 1 0 313.379 1.094 20 5 DDBDRO CN(C(=O)CN1CCCC[C@@H]1CC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000352516932 285108355 /nfs/dbraw/zinc/10/83/55/285108355.db2.gz ATYWYCGHWBTPQR-CQSZACIVSA-N 1 0 320.393 1.761 20 5 DDBDRO C[NH2+]C[C@H]1CCCN(C(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000159021420 197320294 /nfs/dbraw/zinc/32/02/94/197320294.db2.gz YHUYVBXHSYBJLJ-GFCCVEGCSA-N 1 0 306.366 1.465 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000158264207 197258072 /nfs/dbraw/zinc/25/80/72/197258072.db2.gz CIPOLZYIMMIYDK-OAHLLOKOSA-N 1 0 305.334 1.186 20 5 DDBDRO CCOCCO[C@H]1CC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000157625795 197203133 /nfs/dbraw/zinc/20/31/33/197203133.db2.gz FYOWEKCVPFTZSZ-JKSUJKDBSA-N 1 0 324.377 1.756 20 5 DDBDRO C[N@H+](CCOc1ccc(F)cc1)CCn1cc([N+](=O)[O-])cn1 ZINC000157472625 197190020 /nfs/dbraw/zinc/19/00/20/197190020.db2.gz XBJGYUDKWWXDGJ-UHFFFAOYSA-N 1 0 308.313 1.941 20 5 DDBDRO O=[N+]([O-])c1cnc(N2CC[C@@H](OCC[NH+]3CCCCC3)C2)nc1 ZINC000302205791 285176381 /nfs/dbraw/zinc/17/63/81/285176381.db2.gz DFHYPSJUEFRLQV-CQSZACIVSA-N 1 0 321.381 1.466 20 5 DDBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000157152882 197166903 /nfs/dbraw/zinc/16/69/03/197166903.db2.gz SIUOQMCXZLWAGP-YPMHNXCESA-N 1 0 318.377 1.733 20 5 DDBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+](CCO)Cc1cccnc1 ZINC000156770573 197139077 /nfs/dbraw/zinc/13/90/77/197139077.db2.gz QTTFQJGOPFLOSB-UHFFFAOYSA-N 1 0 317.345 1.863 20 5 DDBDRO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000289530332 221043527 /nfs/dbraw/zinc/04/35/27/221043527.db2.gz JEHUEUKPTFXCEX-STQMWFEESA-N 1 0 321.333 1.708 20 5 DDBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000352798024 285307724 /nfs/dbraw/zinc/30/77/24/285307724.db2.gz WYQUJYBNQKUMCP-QWHCGFSZSA-N 1 0 321.377 1.915 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000423067527 533222638 /nfs/dbraw/zinc/22/26/38/533222638.db2.gz ZMQKOXFTVQYDSP-CQSZACIVSA-N 1 0 321.377 1.998 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000414654438 224368596 /nfs/dbraw/zinc/36/85/96/224368596.db2.gz JMWKFUBIARYPJV-SNVBAGLBSA-N 1 0 308.338 1.725 20 5 DDBDRO CC[NH+](CC)CCO[C@@H]1CCN(c2c([N+](=O)[O-])ncn2C)C1 ZINC000353464247 285748683 /nfs/dbraw/zinc/74/86/83/285748683.db2.gz YVEWAFDOHFUMHL-GFCCVEGCSA-N 1 0 311.386 1.265 20 5 DDBDRO C[C@]1(C(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)CC[NH2+]C1 ZINC000579704441 422817259 /nfs/dbraw/zinc/81/72/59/422817259.db2.gz BIMYWICIFIFKMT-HNNXBMFYSA-N 1 0 315.333 1.923 20 5 DDBDRO CO[C@@H]1CC[C@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000569096243 304336616 /nfs/dbraw/zinc/33/66/16/304336616.db2.gz XVRRCNCSOSKTAJ-IACUBPJLSA-N 1 0 310.350 1.492 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000569502904 304358975 /nfs/dbraw/zinc/35/89/75/304358975.db2.gz MELFLOVCSBXRAM-CORIIIEPSA-N 1 0 318.377 1.208 20 5 DDBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cc([N+](=O)[O-])nn1C ZINC000360726967 299731167 /nfs/dbraw/zinc/73/11/67/299731167.db2.gz TYEKJXYLOXDODD-SNVBAGLBSA-N 1 0 309.370 1.131 20 5 DDBDRO CNc1ccc(C(=O)N2CCCC[C@H]2CC[NH3+])cc1[N+](=O)[O-] ZINC000569972727 304388539 /nfs/dbraw/zinc/38/85/39/304388539.db2.gz OJDKOWJTZREMSY-LBPRGKRZSA-N 1 0 306.366 1.980 20 5 DDBDRO CCCc1n[nH]c(C(=O)N[C@H]2C[C@@H]2C2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC000361094837 299800921 /nfs/dbraw/zinc/80/09/21/299800921.db2.gz HPAOUIKEASJHPK-PWSUYJOCSA-N 1 0 321.381 1.388 20 5 DDBDRO C[C@H](CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[N@H+](C)C1CC1 ZINC000068216797 406626560 /nfs/dbraw/zinc/62/65/60/406626560.db2.gz XDEKJGZNXZTWIQ-SECBINFHSA-N 1 0 317.349 1.684 20 5 DDBDRO Cc1ccc(S(=O)(=O)N[C@H]2CCCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000070120897 406808732 /nfs/dbraw/zinc/80/87/32/406808732.db2.gz XEYGYIVZZYSWTG-NSHDSACASA-N 1 0 313.379 1.324 20 5 DDBDRO C[C@@H]([NH3+])[C@H]1CCCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000070173686 406810725 /nfs/dbraw/zinc/81/07/25/406810725.db2.gz KLLSAOGXTAFANH-MNOVXSKESA-N 1 0 313.379 1.343 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@@H]2CC[C@H](C1)[N@@H+]2C ZINC000073995425 406899938 /nfs/dbraw/zinc/89/99/38/406899938.db2.gz ACIMKQBBZOCNOL-QWHCGFSZSA-N 1 0 321.381 1.185 20 5 DDBDRO CC(C)[N@H+](C)CCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000054128496 407179538 /nfs/dbraw/zinc/17/95/38/407179538.db2.gz PUEPXIGKWBVNLN-UHFFFAOYSA-N 1 0 315.395 1.750 20 5 DDBDRO C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C[C@H]1CCCOC1 ZINC000107696853 407378303 /nfs/dbraw/zinc/37/83/03/407378303.db2.gz MGEQTVWHGGWOIJ-GFCCVEGCSA-N 1 0 307.350 1.892 20 5 DDBDRO CCCc1n[nH]c(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000127863095 407473230 /nfs/dbraw/zinc/47/32/30/407473230.db2.gz GJQNSQADNRSFSJ-GHMZBOCLSA-N 1 0 323.397 1.825 20 5 DDBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC([NH+](C)C)CC1 ZINC000127893843 407475433 /nfs/dbraw/zinc/47/54/33/407475433.db2.gz GOTPFNYCYAEOED-LBPRGKRZSA-N 1 0 320.393 1.948 20 5 DDBDRO COC[C@@H]1CCC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000112991252 407456084 /nfs/dbraw/zinc/45/60/84/407456084.db2.gz RXRDTFGXKQPDQQ-HIFRSBDPSA-N 1 0 324.377 1.693 20 5 DDBDRO C[N@@H+]1CC[C@H](CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000265795783 407459688 /nfs/dbraw/zinc/45/96/88/407459688.db2.gz MKUSOXXRBLTAAT-GFCCVEGCSA-N 1 0 305.378 1.940 20 5 DDBDRO CCOc1ccc([C@@H](C)[NH2+][C@H]2CC(=O)N(C)C2)cc1[N+](=O)[O-] ZINC000271172145 407552866 /nfs/dbraw/zinc/55/28/66/407552866.db2.gz UKOQQQDONJIREQ-PWSUYJOCSA-N 1 0 307.350 1.875 20 5 DDBDRO CS[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2N)C[C@H]1[NH+](C)C ZINC000271205476 407573451 /nfs/dbraw/zinc/57/34/51/407573451.db2.gz XTYTZKXTXPGTFW-NEPJUHHUSA-N 1 0 324.406 1.295 20 5 DDBDRO Cc1ccc(NC(=O)C(=O)N2CC[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000170845439 407526913 /nfs/dbraw/zinc/52/69/13/407526913.db2.gz QEXVUKMYKJJVHO-GFCCVEGCSA-N 1 0 320.349 1.004 20 5 DDBDRO CC[C@H]1CN(c2ncc(C)cc2[N+](=O)[O-])CC[N@@H+]1C[C@@H](C)O ZINC000266225986 407533583 /nfs/dbraw/zinc/53/35/83/407533583.db2.gz RODHGCRBOYKLJS-OLZOCXBDSA-N 1 0 308.382 1.580 20 5 DDBDRO CC[C@@H](CO)[NH+]1CCN(c2cc(OC)ccc2[N+](=O)[O-])CC1 ZINC000266207055 407535265 /nfs/dbraw/zinc/53/52/65/407535265.db2.gz LJCIMOUKMGUZQU-LBPRGKRZSA-N 1 0 309.366 1.496 20 5 DDBDRO CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)CC(C)(C)O ZINC000266728936 407613496 /nfs/dbraw/zinc/61/34/96/407613496.db2.gz JVKDEZLCCUKGBW-UHFFFAOYSA-N 1 0 309.366 1.935 20 5 DDBDRO C[C@H]([NH3+])C1CCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000178835559 407618537 /nfs/dbraw/zinc/61/85/37/407618537.db2.gz WVWMORTZMOABMG-LBPRGKRZSA-N 1 0 320.393 1.617 20 5 DDBDRO CCC(=O)N[C@H]1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000130384450 407683206 /nfs/dbraw/zinc/68/32/06/407683206.db2.gz KIRUGGZGXTZFRZ-ZDUSSCGKSA-N 1 0 321.377 1.964 20 5 DDBDRO CCO[C@@H]1C[C@@]([NH3+])(C(=O)NCc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000186737262 407763309 /nfs/dbraw/zinc/76/33/09/407763309.db2.gz XGXWQVJTABIEHT-CZUORRHYSA-N 1 0 321.377 1.744 20 5 DDBDRO C[NH2+]C[C@@H](C)CNS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000237058508 407793792 /nfs/dbraw/zinc/79/37/92/407793792.db2.gz CWALDMPLRVZOMA-SECBINFHSA-N 1 0 315.395 1.345 20 5 DDBDRO O=C(CCNc1ccccc1[N+](=O)[O-])NC[C@H]1CCCC[NH2+]1 ZINC000238054691 407877391 /nfs/dbraw/zinc/87/73/91/407877391.db2.gz QQKUENAPYWOHIH-GFCCVEGCSA-N 1 0 306.366 1.655 20 5 DDBDRO C[C@H](CNc1ncc(Cl)cc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000153682039 407878736 /nfs/dbraw/zinc/87/87/36/407878736.db2.gz GOVLWLLIOYUCMS-SNVBAGLBSA-N 1 0 313.789 1.691 20 5 DDBDRO COC(=O)c1cc(NC(=O)[C@@H]2CCCC[NH2+]2)cc([N+](=O)[O-])c1 ZINC000153824085 407911375 /nfs/dbraw/zinc/91/13/75/407911375.db2.gz FUAGCKHXTIUKHP-LBPRGKRZSA-N 1 0 307.306 1.462 20 5 DDBDRO CC(C)(NC(=O)C[C@H]1COCC[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC000262489728 407847005 /nfs/dbraw/zinc/84/70/05/407847005.db2.gz HMBHBQZDZJJAEJ-LBPRGKRZSA-N 1 0 307.350 1.325 20 5 DDBDRO CCC([NH3+])(CC)CNS(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000133486612 407849956 /nfs/dbraw/zinc/84/99/56/407849956.db2.gz IQSIUKROXHPDAG-UHFFFAOYSA-N 1 0 315.395 1.699 20 5 DDBDRO Cc1c(C(=O)NC[C@@H]2CC[NH2+]C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000273037615 408030042 /nfs/dbraw/zinc/03/00/42/408030042.db2.gz ODEYOCOZJPJKHV-SNVBAGLBSA-N 1 0 322.321 1.459 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCS[C@H]3COCC[C@@H]32)c1 ZINC000154472537 408040697 /nfs/dbraw/zinc/04/06/97/408040697.db2.gz NVVMKYAMGGBPLV-KKUMJFAQSA-N 1 0 324.402 1.835 20 5 DDBDRO CC[C@@H]([NH2+][C@H](C)C(=O)NCC(=O)OC)c1cccc([N+](=O)[O-])c1 ZINC000181540084 408008180 /nfs/dbraw/zinc/00/81/80/408008180.db2.gz QBVYPUYIAJSENU-ZWNOBZJWSA-N 1 0 323.349 1.313 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)c1[N+](=O)[O-] ZINC000272672218 408008242 /nfs/dbraw/zinc/00/82/42/408008242.db2.gz TYOQGPOYXPPVKK-MNOVXSKESA-N 1 0 321.381 1.608 20 5 DDBDRO CN(CCC[NH+](C)C)c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000181538518 408009000 /nfs/dbraw/zinc/00/90/00/408009000.db2.gz CEWBUJRJMBDURW-UHFFFAOYSA-N 1 0 321.424 1.448 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1CNCc1cc(C(N)=O)co1 ZINC000189410816 408015793 /nfs/dbraw/zinc/01/57/93/408015793.db2.gz DJSKPFKSUIAAEB-UHFFFAOYSA-N 1 0 319.317 1.975 20 5 DDBDRO NC(=O)[C@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000189454782 408021031 /nfs/dbraw/zinc/02/10/31/408021031.db2.gz CUALEYQIDVVIIV-MELADBBJSA-N 1 0 307.350 1.262 20 5 DDBDRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1c([N+](=O)[O-])cnn1C ZINC000245854048 408079225 /nfs/dbraw/zinc/07/92/25/408079225.db2.gz DHDIXYGCFMVVKX-QWRGUYRKSA-N 1 0 307.354 1.027 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000155339321 408156512 /nfs/dbraw/zinc/15/65/12/408156512.db2.gz XZVMHIZQSMTWGO-IINYFYTJSA-N 1 0 306.366 1.757 20 5 DDBDRO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176243157 408322333 /nfs/dbraw/zinc/32/23/33/408322333.db2.gz LEFSWTBBVJQSIH-LBPRGKRZSA-N 1 0 309.370 1.124 20 5 DDBDRO Nc1nc(N2CCC([NH+]3CCCCC3)CC2)ncc1[N+](=O)[O-] ZINC000263968879 408330632 /nfs/dbraw/zinc/33/06/32/408330632.db2.gz TWEFHGKMMVPLGL-UHFFFAOYSA-N 1 0 306.370 1.422 20 5 DDBDRO C[C@H](CO)[N@H+](C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000131949828 162026140 /nfs/dbraw/zinc/02/61/40/162026140.db2.gz CCLDMWGZBGACCH-SNVBAGLBSA-N 1 0 309.322 1.205 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC(OC[C@@H]3CCOC3)CC2)n1 ZINC000131991178 162028412 /nfs/dbraw/zinc/02/84/12/162028412.db2.gz VPMSJHQQCLYSSF-CYBMUJFWSA-N 1 0 324.381 1.309 20 5 DDBDRO C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C1(CO)CCOCC1 ZINC000190990138 408352794 /nfs/dbraw/zinc/35/27/94/408352794.db2.gz OYAPTFYJXBUAJI-UHFFFAOYSA-N 1 0 323.349 1.007 20 5 DDBDRO C[C@@H]([NH2+]C[C@@H](O)CN1CCCC1=O)c1cccc([N+](=O)[O-])c1 ZINC000173363999 162334448 /nfs/dbraw/zinc/33/44/48/162334448.db2.gz NIBOYQRJFCWBAX-BXUZGUMPSA-N 1 0 307.350 1.229 20 5 DDBDRO CCOC(=O)[C@@](C)(O)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000274671086 408489106 /nfs/dbraw/zinc/48/91/06/408489106.db2.gz SMIZFFYUXRXEKP-ABAIWWIYSA-N 1 0 310.350 1.868 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160561084 408498389 /nfs/dbraw/zinc/49/83/89/408498389.db2.gz LJVMFHULIBKQCZ-AWEZNQCLSA-N 1 0 321.377 1.480 20 5 DDBDRO C[C@H]1C[C@@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)C[N@@H+]1C1CC1 ZINC000177052922 408508998 /nfs/dbraw/zinc/50/89/98/408508998.db2.gz MAQJNIZZMIJFJP-WCQYABFASA-N 1 0 303.362 1.879 20 5 DDBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000176900838 408470249 /nfs/dbraw/zinc/47/02/49/408470249.db2.gz XMMSYGLPLIACBI-CYBMUJFWSA-N 1 0 324.381 1.385 20 5 DDBDRO CC[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C[C@@H]1CCCO1 ZINC000248457536 408570658 /nfs/dbraw/zinc/57/06/58/408570658.db2.gz MKFVNZSTJWOKKL-KGLIPLIRSA-N 1 0 324.377 1.835 20 5 DDBDRO CC[C@](C)([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)C(N)=O ZINC000177133018 408532310 /nfs/dbraw/zinc/53/23/10/408532310.db2.gz TYOLXWLYSNZOET-HNNXBMFYSA-N 1 0 322.365 1.475 20 5 DDBDRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)COc3ccccc3[N+](=O)[O-])C[C@H]12 ZINC000248698617 408618246 /nfs/dbraw/zinc/61/82/46/408618246.db2.gz ZFGGMUVZNQRZTM-SDDRHHMPSA-N 1 0 305.334 1.169 20 5 DDBDRO C[C@H](c1cccnc1)[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000270680740 408633438 /nfs/dbraw/zinc/63/34/38/408633438.db2.gz UPNOSDPQCLECKZ-RISCZKNCSA-N 1 0 305.338 1.240 20 5 DDBDRO CC[NH+]1CCN([C@@H]2CCN(c3cc(N)ccc3[N+](=O)[O-])C2)CC1 ZINC000193419679 408718039 /nfs/dbraw/zinc/71/80/39/408718039.db2.gz SLZHPZZPHFLCFV-CQSZACIVSA-N 1 0 319.409 1.393 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCCC[C@H]1CO ZINC000249515287 408737148 /nfs/dbraw/zinc/73/71/48/408737148.db2.gz BZMPORYJMHIJSV-STQMWFEESA-N 1 0 310.350 1.181 20 5 DDBDRO COc1cc(C(=O)NCC2([NH+](C)C)CCC2)ccc1[N+](=O)[O-] ZINC000275976183 408737424 /nfs/dbraw/zinc/73/74/24/408737424.db2.gz MAYCCENZXRYLLS-UHFFFAOYSA-N 1 0 307.350 1.818 20 5 DDBDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)c2c([N+](=O)[O-])cnn2C)C1 ZINC000162188073 408677135 /nfs/dbraw/zinc/67/71/35/408677135.db2.gz QGPXBEOJJMUXCH-GFCCVEGCSA-N 1 0 323.397 1.570 20 5 DDBDRO CO[C@@H]1CN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC[C@@H]1C ZINC000251941349 408790891 /nfs/dbraw/zinc/79/08/91/408790891.db2.gz URAMTTKSGICTAA-SMDDNHRTSA-N 1 0 307.350 1.890 20 5 DDBDRO CC(C)C[C@H](CO)[N@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000185311934 408794373 /nfs/dbraw/zinc/79/43/73/408794373.db2.gz RSTQQFAUUHFCAQ-OAHLLOKOSA-N 1 0 323.393 1.896 20 5 DDBDRO COCC[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2C)CC1 ZINC000194834757 408800921 /nfs/dbraw/zinc/80/09/21/408800921.db2.gz KIEATPDQJRVGNI-UHFFFAOYSA-N 1 0 321.377 1.744 20 5 DDBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000249764531 408764136 /nfs/dbraw/zinc/76/41/36/408764136.db2.gz ZRXVHYRLFMPWOJ-NEPJUHHUSA-N 1 0 309.370 1.028 20 5 DDBDRO CC(=O)c1cc([N+](=O)[O-])ccc1OC[C@@H](O)C[N@@H+](C)C1CC1 ZINC000290796303 408834773 /nfs/dbraw/zinc/83/47/73/408834773.db2.gz PBTRBERSGXKIDZ-ZDUSSCGKSA-N 1 0 308.334 1.631 20 5 DDBDRO C[C@@H]1CN(CCn2cc([N+](=O)[O-])c(=O)c3ccccc32)CCO1 ZINC000291703326 408910205 /nfs/dbraw/zinc/91/02/05/408910205.db2.gz UQHUAOQHUAOBAX-GFCCVEGCSA-N 1 0 317.345 1.630 20 5 DDBDRO CN(C(=O)c1c(N)cccc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000286219292 408943914 /nfs/dbraw/zinc/94/39/14/408943914.db2.gz NJSBWOPBXYSTMP-FOSCPWQOSA-N 1 0 318.377 1.874 20 5 DDBDRO C[C@@H]1CN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])[C@@H](C)C[NH2+]1 ZINC000237420477 163378123 /nfs/dbraw/zinc/37/81/23/163378123.db2.gz QLVJZVCGSGUPQH-NEPJUHHUSA-N 1 0 306.366 1.240 20 5 DDBDRO [NH3+]CC[C@H]1CCCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000281965691 408963040 /nfs/dbraw/zinc/96/30/40/408963040.db2.gz NJPUZKLEHYBWQA-SNVBAGLBSA-N 1 0 317.349 1.672 20 5 DDBDRO CC(C)([NH2+]C[C@@H](O)Cn1cccn1)c1ccccc1[N+](=O)[O-] ZINC000292130039 408986246 /nfs/dbraw/zinc/98/62/46/408986246.db2.gz LEEGKAUOVXJCEI-GFCCVEGCSA-N 1 0 304.350 1.677 20 5 DDBDRO CC(C)[N@@H+]1CCCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000277760508 409007151 /nfs/dbraw/zinc/00/71/51/409007151.db2.gz RFRUZDDHZUDSJB-UHFFFAOYSA-N 1 0 308.338 1.252 20 5 DDBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]Cc1cnnn1C ZINC000287304096 409016771 /nfs/dbraw/zinc/01/67/71/409016771.db2.gz KWFQTHJVKDQPRT-JTQLQIEISA-N 1 0 318.337 1.230 20 5 DDBDRO C[C@@H]1CN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@H](C)[N@H+]1C ZINC000293425314 409110439 /nfs/dbraw/zinc/11/04/39/409110439.db2.gz NIWCFUDNCHPELC-MJBXVCDLSA-N 1 0 323.393 1.359 20 5 DDBDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000283623734 409185867 /nfs/dbraw/zinc/18/58/67/409185867.db2.gz AXWCDJBBTZFICT-SNVBAGLBSA-N 1 0 324.356 1.730 20 5 DDBDRO CC(C)(CCC[NH3+])NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000293728484 409169730 /nfs/dbraw/zinc/16/97/30/409169730.db2.gz SWFOUMMALFJUDJ-UHFFFAOYSA-N 1 0 310.310 1.750 20 5 DDBDRO C[N@H+]1C[C@H]2CN(C(=O)c3cccc(Cl)c3[N+](=O)[O-])C[C@H]2C1 ZINC000279260547 409180251 /nfs/dbraw/zinc/18/02/51/409180251.db2.gz WXUOKKBAPUNRPA-AOOOYVTPSA-N 1 0 309.753 1.882 20 5 DDBDRO CC(C)[N@H+](CCOCCO)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000283804677 409220156 /nfs/dbraw/zinc/22/01/56/409220156.db2.gz WFAGWXIRKLFVLS-UHFFFAOYSA-N 1 0 300.330 1.953 20 5 DDBDRO Cc1cc(OCC(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000293993722 409222545 /nfs/dbraw/zinc/22/25/45/409222545.db2.gz ODIUPYSXUPQMEF-BETUJISGSA-N 1 0 321.377 1.833 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000261905678 163725600 /nfs/dbraw/zinc/72/56/00/163725600.db2.gz PKPNJBVZZBVJHN-CYBMUJFWSA-N 1 0 318.377 1.023 20 5 DDBDRO COc1cc(C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC000289336563 409251062 /nfs/dbraw/zinc/25/10/62/409251062.db2.gz WGOLNWQZMLSDGY-INIZCTEOSA-N 1 0 319.361 1.819 20 5 DDBDRO COc1cc(C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC000289336569 409251148 /nfs/dbraw/zinc/25/11/48/409251148.db2.gz WGOLNWQZMLSDGY-MRXNPFEDSA-N 1 0 319.361 1.819 20 5 DDBDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000279380606 409202651 /nfs/dbraw/zinc/20/26/51/409202651.db2.gz HXGSBSHJLUFKRF-ZJUUUORDSA-N 1 0 324.356 1.919 20 5 DDBDRO COCCCN(C)CC[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284229748 409299981 /nfs/dbraw/zinc/29/99/81/409299981.db2.gz UMSDPPXVCFYABN-LBPRGKRZSA-N 1 0 310.398 1.796 20 5 DDBDRO CO[C@@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1(C)C ZINC000295978840 409390176 /nfs/dbraw/zinc/39/01/76/409390176.db2.gz KWWSZAMVLJDHSQ-CQSZACIVSA-N 1 0 321.377 1.941 20 5 DDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000280720574 409425761 /nfs/dbraw/zinc/42/57/61/409425761.db2.gz FPRYJTSZJMAUNN-CJNGLKHVSA-N 1 0 303.362 1.643 20 5 DDBDRO CC[C@H](CO)N(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000295387689 409461113 /nfs/dbraw/zinc/46/11/13/409461113.db2.gz BCBKJRAIKRZMMJ-SECBINFHSA-N 1 0 315.757 1.889 20 5 DDBDRO CNc1c(C(=O)NC[C@H](C)[N@H+](C)C2CC2)cccc1[N+](=O)[O-] ZINC000318614214 164032194 /nfs/dbraw/zinc/03/21/94/164032194.db2.gz JBPICLVSDFZJQV-JTQLQIEISA-N 1 0 306.366 1.849 20 5 DDBDRO Cn1cc([C@@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)C(C)(C)C)cn1 ZINC000342343176 409581979 /nfs/dbraw/zinc/58/19/79/409581979.db2.gz RRFGSZHBBKZVFU-CYBMUJFWSA-N 1 0 306.370 1.902 20 5 DDBDRO Cc1ccc(S(=O)(=O)NC[C@H]2CCCN2C)c([N+](=O)[O-])c1 ZINC000342351351 409585711 /nfs/dbraw/zinc/58/57/11/409585711.db2.gz WSQKKNIVLYZBIC-LLVKDONJSA-N 1 0 313.379 1.276 20 5 DDBDRO C[C@H](O)CC[N@H+](C)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000304305561 409601519 /nfs/dbraw/zinc/60/15/19/409601519.db2.gz JRSVQZPDZCJNEG-FZMZJTMJSA-N 1 0 307.350 1.403 20 5 DDBDRO CC(=O)N1CC[C@H]([NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000331593380 409670032 /nfs/dbraw/zinc/67/00/32/409670032.db2.gz KUVSOBHFGWOELM-IHRRRGAJSA-N 1 0 321.381 1.485 20 5 DDBDRO Cc1nc([N+](=O)[O-])c(-c2noc([C@H]3CC[N@H+](C)[C@@H](C)C3)n2)n1C ZINC000331647008 409730105 /nfs/dbraw/zinc/73/01/05/409730105.db2.gz YPKJTFXLNYEOTN-WPRPVWTQSA-N 1 0 320.353 1.884 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2C[C@H]2c2ccccc2)c1 ZINC000314786269 409830176 /nfs/dbraw/zinc/83/01/76/409830176.db2.gz JISQMTGXQNWZGQ-ILXRZTDVSA-N 1 0 302.334 1.298 20 5 DDBDRO C[N@@H+]1CC[C@@](O)(CNc2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000342832072 409936019 /nfs/dbraw/zinc/93/60/19/409936019.db2.gz RAKJHVBUHNXXMK-GFCCVEGCSA-N 1 0 309.351 1.078 20 5 DDBDRO CN1CCO[C@@H](c2nc(Cc3ccccc3[N+](=O)[O-])no2)C1 ZINC000351190093 410044880 /nfs/dbraw/zinc/04/48/80/410044880.db2.gz NKZUCVHNSINSLZ-GFCCVEGCSA-N 1 0 304.306 1.572 20 5 DDBDRO C[C@@H](O)C[C@@H]1CCCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000279677536 287101839 /nfs/dbraw/zinc/10/18/39/287101839.db2.gz DZPJWMIDIFDAMA-RISCZKNCSA-N 1 0 321.377 1.819 20 5 DDBDRO CC[N@@H+]1CC[C@H]2OCCN(Cc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000339389468 410151078 /nfs/dbraw/zinc/15/10/78/410151078.db2.gz CCSAYMMOILPBAN-HZPDHXFCSA-N 1 0 305.378 1.890 20 5 DDBDRO O=C(NCCNc1cc[nH+]cc1)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000346804052 410161823 /nfs/dbraw/zinc/16/18/23/410161823.db2.gz MOJIHYDKPLQRIL-UHFFFAOYSA-N 1 0 319.296 1.784 20 5 DDBDRO C[NH+](C)[C@@H](CNC(=O)Cn1cnc([N+](=O)[O-])c1)c1ccccc1 ZINC000298286915 410166829 /nfs/dbraw/zinc/16/68/29/410166829.db2.gz AQIHJTOLNAFXOQ-ZDUSSCGKSA-N 1 0 317.349 1.210 20 5 DDBDRO COc1ccc(NC(=O)CC[N@@H+]2C[C@H](C)[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000351826457 410268014 /nfs/dbraw/zinc/26/80/14/410268014.db2.gz KBFVHADWRBKBPM-IINYFYTJSA-N 1 0 323.349 1.245 20 5 DDBDRO C[C@@H]1CN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H](C)[NH+]1C ZINC000339618880 410332865 /nfs/dbraw/zinc/33/28/65/410332865.db2.gz GNSGIIAPTLFDFG-UMVBOHGHSA-N 1 0 323.393 1.359 20 5 DDBDRO C[C@@H]1CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H](C)[NH+]1C ZINC000339621171 410338637 /nfs/dbraw/zinc/33/86/37/410338637.db2.gz GERMDTZPVSWVJV-CHWSQXEVSA-N 1 0 320.393 1.948 20 5 DDBDRO C[C@H]([NH3+])[C@@H]1CCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000351863473 410302419 /nfs/dbraw/zinc/30/24/19/410302419.db2.gz UBBGRBRRDFTNMU-ZOWXZIJZSA-N 1 0 318.377 1.369 20 5 DDBDRO C[C@H](CNc1ncc([N+](=O)[O-])cc1C(N)=O)[N@@H+]1CCC[C@H](C)C1 ZINC000298755318 410382000 /nfs/dbraw/zinc/38/20/00/410382000.db2.gz YACISCNPJBTAGD-WDEREUQCSA-N 1 0 321.381 1.621 20 5 DDBDRO COc1ccc(C(=O)NCC[N@H+]2CC=C(C)CC2)cc1[N+](=O)[O-] ZINC000355333686 410448048 /nfs/dbraw/zinc/44/80/48/410448048.db2.gz HJXGWKHVNNYGSB-UHFFFAOYSA-N 1 0 319.361 1.985 20 5 DDBDRO CC(C)(C(=O)N1CCC[C@]2(CC[NH2+]C2)C1)n1cc([N+](=O)[O-])cn1 ZINC000343697168 410627605 /nfs/dbraw/zinc/62/76/05/410627605.db2.gz XDZVQBJRVHENRY-OAHLLOKOSA-N 1 0 321.381 1.129 20 5 DDBDRO C[N@@H+]1CCC[C@H](CNc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 ZINC000301075484 410650386 /nfs/dbraw/zinc/65/03/86/410650386.db2.gz BLLYGSMMXQVQSX-SNVBAGLBSA-N 1 0 320.349 1.679 20 5 DDBDRO Cc1cc([N+](=O)[O-])cnc1N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000301277300 410691219 /nfs/dbraw/zinc/69/12/19/410691219.db2.gz ZUJQDYYUPFELEG-CYBMUJFWSA-N 1 0 322.409 1.827 20 5 DDBDRO C[C@@H]1[C@H](NC(=O)NCCc2ccccc2[N+](=O)[O-])CCC[N@@H+]1C ZINC000343851582 410746557 /nfs/dbraw/zinc/74/65/57/410746557.db2.gz DMPRQEQLFFAHNJ-TZMCWYRMSA-N 1 0 320.393 1.919 20 5 DDBDRO CC(C)(C)[C@H](O)C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000343884840 410778639 /nfs/dbraw/zinc/77/86/39/410778639.db2.gz VRKWPMQYDWUDTF-DGCLKSJQSA-N 1 0 308.382 1.883 20 5 DDBDRO CCC[NH+]1CCC(N(C)C(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC000330561162 410778980 /nfs/dbraw/zinc/77/89/80/410778980.db2.gz SLBWCWTVSGAEPK-UHFFFAOYSA-N 1 0 309.370 1.275 20 5 DDBDRO CNC(=O)[C@H]1CCC[C@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000348169605 410833787 /nfs/dbraw/zinc/83/37/87/410833787.db2.gz RZJGTOWDHNGONG-UONOGXRCSA-N 1 0 307.350 1.478 20 5 DDBDRO O=C(CC[N@H+]1C[C@@H]2CC[C@H](O)[C@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000344044934 410918804 /nfs/dbraw/zinc/91/88/04/410918804.db2.gz XVGBWYJJIGANLG-CQDKDKBSSA-N 1 0 319.361 1.626 20 5 DDBDRO O=[N+]([O-])c1ccc(NC[C@H]2CCC[C@@H]2[NH+]2CCOCC2)nc1 ZINC000360231849 411107478 /nfs/dbraw/zinc/10/74/78/411107478.db2.gz ZOQRFHHTXHMSPC-OCCSQVGLSA-N 1 0 306.366 1.903 20 5 DDBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3ccc(N)c([N+](=O)[O-])c3)CC[C@@H]21 ZINC000129187114 196027305 /nfs/dbraw/zinc/02/73/05/196027305.db2.gz ZXCFQFNQFWDPJU-OCCSQVGLSA-N 1 0 318.377 1.733 20 5 DDBDRO CC1(CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000129242711 196032380 /nfs/dbraw/zinc/03/23/80/196032380.db2.gz DFYOFOAFHYPCCS-UHFFFAOYSA-N 1 0 313.379 1.263 20 5 DDBDRO Cc1ccc(NCCCNC(=O)NCC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000133730431 196332290 /nfs/dbraw/zinc/33/22/90/196332290.db2.gz PNQKYEHEHYRMLH-UHFFFAOYSA-N 1 0 323.397 1.566 20 5 DDBDRO C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H](CO)C(C)(C)C ZINC000134430180 196390305 /nfs/dbraw/zinc/39/03/05/196390305.db2.gz KCHITKAVBHBWOQ-CYBMUJFWSA-N 1 0 309.366 1.533 20 5 DDBDRO C[C@@H]1C[NH2+]C[C@H]1CNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC001120555422 782020959 /nfs/dbraw/zinc/02/09/59/782020959.db2.gz YXOAQLNCHVQTKS-NEPJUHHUSA-N 1 0 320.393 1.985 20 5 DDBDRO CC[C@@](C)([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)C(N)=O ZINC000177126256 221841808 /nfs/dbraw/zinc/84/18/08/221841808.db2.gz MBRWZBUKKNJNTF-OAHLLOKOSA-N 1 0 322.365 1.475 20 5 DDBDRO O=C(N[C@H]1CC12CC[NH2+]CC2)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000366556507 418489282 /nfs/dbraw/zinc/48/92/82/418489282.db2.gz PODIHHXYWOPHCI-LBPRGKRZSA-N 1 0 315.333 1.343 20 5 DDBDRO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000374836175 418568038 /nfs/dbraw/zinc/56/80/38/418568038.db2.gz ZICQNKHAXYJCMX-UWVGGRQHSA-N 1 0 322.340 1.673 20 5 DDBDRO O=C(COc1ccccc1[N+](=O)[O-])N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000289344532 418575500 /nfs/dbraw/zinc/57/55/00/418575500.db2.gz XILZQJVBEPFFRV-MRXNPFEDSA-N 1 0 319.361 1.576 20 5 DDBDRO C[C@@H](CO)[N@@H+]1CCCN(c2ccc([N+](=O)[O-])c3nonc32)CC1 ZINC000375509499 418651371 /nfs/dbraw/zinc/65/13/71/418651371.db2.gz WCAYVFXLMZRSIY-JTQLQIEISA-N 1 0 321.337 1.024 20 5 DDBDRO Nc1c(C(=O)N2[C@@H]3CC[C@H]2C[C@H]([NH3+])C3)cc(F)cc1[N+](=O)[O-] ZINC000375245233 418620843 /nfs/dbraw/zinc/62/08/43/418620843.db2.gz LOSQMCXVBRNCQK-OWUUHHOZSA-N 1 0 308.313 1.410 20 5 DDBDRO Cc1cc(NCCc2nc(N)no2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000340804811 418624023 /nfs/dbraw/zinc/62/40/23/418624023.db2.gz UEOSQPFKDOWKQJ-UHFFFAOYSA-N 1 0 314.305 1.493 20 5 DDBDRO CCOc1cc(C[N@H+](CCO)[C@H]2CCO[C@H]2C)ccc1[N+](=O)[O-] ZINC000361584683 418685964 /nfs/dbraw/zinc/68/59/64/418685964.db2.gz FXXXBGZECLMMND-JSGCOSHPSA-N 1 0 324.377 1.965 20 5 DDBDRO CCO[C@H]1COCC[C@H]1[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000362016339 418739386 /nfs/dbraw/zinc/73/93/86/418739386.db2.gz AFMVMABLWNPMAH-OCCSQVGLSA-N 1 0 323.349 1.317 20 5 DDBDRO C[C@H]([NH3+])C[C@H](C)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000423038576 227325771 /nfs/dbraw/zinc/32/57/71/227325771.db2.gz OMGSLKVDBCJGQN-QWRGUYRKSA-N 1 0 315.395 1.084 20 5 DDBDRO CC(C)(NC(=O)[C@H]1C[C@]12CC[NH2+]C2)c1ccc([N+](=O)[O-])cc1 ZINC000372436315 418870104 /nfs/dbraw/zinc/87/01/04/418870104.db2.gz IHMOVYYHCIXQJU-CJNGLKHVSA-N 1 0 303.362 1.946 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1NC[C@H]1C[N@@H+]3CCC[C@H]3CO1)CCN2 ZINC000365542874 418872805 /nfs/dbraw/zinc/87/28/05/418872805.db2.gz CBCZIJHOAXOHMA-RYUDHWBXSA-N 1 0 318.377 1.838 20 5 DDBDRO CC(C)(C)[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000411372045 418897913 /nfs/dbraw/zinc/89/79/13/418897913.db2.gz ZQDSTEGFEQMMQM-ZDUSSCGKSA-N 1 0 322.365 1.413 20 5 DDBDRO COCC[C@H]1COCCN1Cc1ccc([N+](=O)[O-])cc1OC ZINC000365837092 418914633 /nfs/dbraw/zinc/91/46/33/418914633.db2.gz JLFHZPANUACPSG-AWEZNQCLSA-N 1 0 310.350 1.841 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@@](O)(C2CC2)C1 ZINC000365839606 418914647 /nfs/dbraw/zinc/91/46/47/418914647.db2.gz RWJVSIRUOVHXNT-BBRMVZONSA-N 1 0 322.361 1.181 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCN(C)C(=O)C1 ZINC000424330978 228258938 /nfs/dbraw/zinc/25/89/38/228258938.db2.gz SLDOMURDOGYUMB-CHWSQXEVSA-N 1 0 305.378 1.984 20 5 DDBDRO CO[C@H]1c2ccccc2C[C@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000411894735 419456131 /nfs/dbraw/zinc/45/61/31/419456131.db2.gz SPOXPECTRMDRPJ-CABCVRRESA-N 1 0 302.334 1.693 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CC[C@]23CCOC3)c1 ZINC000421041760 419466139 /nfs/dbraw/zinc/46/61/39/419466139.db2.gz YPJDGCDNRPXWOY-DZGCQCFKSA-N 1 0 308.334 1.199 20 5 DDBDRO COc1cc(C[NH2+][C@@H](CO)[C@@H]2CCCOC2)ccc1[N+](=O)[O-] ZINC000411983253 419542180 /nfs/dbraw/zinc/54/21/80/419542180.db2.gz FNJLTWVYIWAPBZ-OLZOCXBDSA-N 1 0 310.350 1.481 20 5 DDBDRO C[C@H](NC(=O)N1CCOC2(C[NH2+]C2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000418230898 419631670 /nfs/dbraw/zinc/63/16/70/419631670.db2.gz KGOFKUQYHAPEQE-NSHDSACASA-N 1 0 320.349 1.040 20 5 DDBDRO C[C@H]1CCCN(c2ccc(C(=O)NCCC[NH3+])cc2[N+](=O)[O-])C1 ZINC000428469463 419871415 /nfs/dbraw/zinc/87/14/15/419871415.db2.gz JXNKFDUOLUYKNJ-LBPRGKRZSA-N 1 0 320.393 1.910 20 5 DDBDRO C[C@@H]1CN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000429167011 419979470 /nfs/dbraw/zinc/97/94/70/419979470.db2.gz WSEHDKXXGAAJPO-MFKMUULPSA-N 1 0 318.377 1.978 20 5 DDBDRO C[NH2+]C[C@H](C)CN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000423279748 420001706 /nfs/dbraw/zinc/00/17/06/420001706.db2.gz TUEXSVVUQHHRGK-SWLSCSKDSA-N 1 0 317.393 1.863 20 5 DDBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](CN)C1CC1 ZINC000423282134 420001936 /nfs/dbraw/zinc/00/19/36/420001936.db2.gz UZEDRKKAKSXGPY-IINYFYTJSA-N 1 0 306.366 1.639 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000415584063 420117970 /nfs/dbraw/zinc/11/79/70/420117970.db2.gz SBICABFJYRGDJG-GFCCVEGCSA-N 1 0 322.365 1.712 20 5 DDBDRO C[C@]1([NH3+])CCCC[C@H]1C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000423723669 420142655 /nfs/dbraw/zinc/14/26/55/420142655.db2.gz LWWISPLUSXMARP-NHYWBVRUSA-N 1 0 317.349 2.317 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@](C)(C[NH3+])C1CC1 ZINC000430551007 420133099 /nfs/dbraw/zinc/13/30/99/420133099.db2.gz HJXWJODOLSDNLW-HNNXBMFYSA-N 1 0 306.366 1.559 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000423526033 420070604 /nfs/dbraw/zinc/07/06/04/420070604.db2.gz KWVLYBFPSITKQR-GHMZBOCLSA-N 1 0 307.350 1.803 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000420290067 420184269 /nfs/dbraw/zinc/18/42/69/420184269.db2.gz UEVRDLFNZDQRPK-NXEZZACHSA-N 1 0 308.338 1.706 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@@H]1C[NH3+] ZINC000420297578 420188289 /nfs/dbraw/zinc/18/82/89/420188289.db2.gz YUMXLDRDEMVONM-GFCCVEGCSA-N 1 0 322.365 1.355 20 5 DDBDRO CN(CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H](C[NH3+])C1CC1 ZINC000420309767 420198112 /nfs/dbraw/zinc/19/81/12/420198112.db2.gz FMYMJTMHFMNPHN-CQSZACIVSA-N 1 0 306.366 1.593 20 5 DDBDRO O=C(C[C@@H]1COCC[NH2+]1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423729712 420146850 /nfs/dbraw/zinc/14/68/50/420146850.db2.gz VGUMVNQCGOLUFP-CYBMUJFWSA-N 1 0 319.361 1.464 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2C[NH2+]CCCO2)c1 ZINC000423738505 420151142 /nfs/dbraw/zinc/15/11/42/420151142.db2.gz HDLRMXDPHHPFEI-GFCCVEGCSA-N 1 0 323.349 1.102 20 5 DDBDRO COC(=O)c1cc(C(=O)N[C@H]2CC[C@H](C[NH3+])C2)cc([N+](=O)[O-])c1 ZINC000423743438 420154076 /nfs/dbraw/zinc/15/40/76/420154076.db2.gz LVSJWDAUSBAXBY-CABZTGNLSA-N 1 0 321.333 1.239 20 5 DDBDRO C[NH2+][C@@H]1CCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000430629253 420164188 /nfs/dbraw/zinc/16/41/88/420164188.db2.gz WCYIYKVXYSDXIC-SNVBAGLBSA-N 1 0 312.757 1.480 20 5 DDBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000430953690 420221432 /nfs/dbraw/zinc/22/14/32/420221432.db2.gz HVUHSKYHYPFFAG-UTUOFQBUSA-N 1 0 306.366 1.604 20 5 DDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000420345333 420225403 /nfs/dbraw/zinc/22/54/03/420225403.db2.gz AOHISBLMTHLHHP-BNOWGMLFSA-N 1 0 318.377 1.748 20 5 DDBDRO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)[C@H]1C[C@]12CC[NH2+]C2 ZINC000423836275 420217303 /nfs/dbraw/zinc/21/73/03/420217303.db2.gz FLBISQARVDTEBK-RISCZKNCSA-N 1 0 309.753 1.864 20 5 DDBDRO C[C@H]1[NH2+]CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)[C@@H]1C ZINC000436060326 420306679 /nfs/dbraw/zinc/30/66/79/420306679.db2.gz QVRSDLLMGPPMAC-GHMZBOCLSA-N 1 0 317.349 1.827 20 5 DDBDRO C[NH+](C)C1(CNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000416309569 420322699 /nfs/dbraw/zinc/32/26/99/420322699.db2.gz WHFYCBPYHJSKPA-UHFFFAOYSA-N 1 0 313.304 1.626 20 5 DDBDRO CC[NH+](CC)[C@@H]1CCN(c2c(C(N)=O)cccc2[N+](=O)[O-])C1 ZINC000420601156 420328223 /nfs/dbraw/zinc/32/82/23/420328223.db2.gz NFAJSDMOKDVJPQ-LLVKDONJSA-N 1 0 306.366 1.614 20 5 DDBDRO CN(CC[NH3+])C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000424001707 420301969 /nfs/dbraw/zinc/30/19/69/420301969.db2.gz HUTMKQHWJQXFTA-UHFFFAOYSA-N 1 0 301.730 1.434 20 5 DDBDRO C[C@@H]1[NH2+]CCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000436046680 420302974 /nfs/dbraw/zinc/30/29/74/420302974.db2.gz CARLWKIWSPHMEB-RYUDHWBXSA-N 1 0 306.366 1.240 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000444156524 230056079 /nfs/dbraw/zinc/05/60/79/230056079.db2.gz LVHQSGVXYPZDRR-SWLSCSKDSA-N 1 0 305.334 1.219 20 5 DDBDRO [NH3+]C1CCC(NC(=O)NCCc2ccccc2[N+](=O)[O-])CC1 ZINC000417764063 420472176 /nfs/dbraw/zinc/47/21/76/420472176.db2.gz LRSDQWSJWSHIDT-UHFFFAOYSA-N 1 0 306.366 1.706 20 5 DDBDRO C[C@H]1[NH2+]CCN(C(=O)NCCc2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000417766920 420473005 /nfs/dbraw/zinc/47/30/05/420473005.db2.gz PTUUTVIRGRDDJW-VXGBXAGGSA-N 1 0 306.366 1.529 20 5 DDBDRO CC1(C)CCC[N@@H+]1CCNC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000457063517 420599992 /nfs/dbraw/zinc/59/99/92/420599992.db2.gz VZEUAOGWBQCSQG-UHFFFAOYSA-N 1 0 307.354 1.176 20 5 DDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1CC[NH2+]C1 ZINC000440836892 420611035 /nfs/dbraw/zinc/61/10/35/420611035.db2.gz HNRJESSAXNXYLM-JTQLQIEISA-N 1 0 313.379 1.045 20 5 DDBDRO Cc1ccc(C)c(S(=O)(=O)N[C@@H](C)CC[NH3+])c1[N+](=O)[O-] ZINC000440857132 420613693 /nfs/dbraw/zinc/61/36/93/420613693.db2.gz FBMVUZKSMSUJJW-JTQLQIEISA-N 1 0 301.368 1.227 20 5 DDBDRO O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000492992391 420730246 /nfs/dbraw/zinc/73/02/46/420730246.db2.gz QOAGYLREWBDUEN-KIMFYNOWSA-N 1 0 301.346 1.818 20 5 DDBDRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000493167403 420775754 /nfs/dbraw/zinc/77/57/54/420775754.db2.gz PDOQFGMONHVVNP-NEQXKTFVSA-N 1 0 307.325 1.861 20 5 DDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@H]2COCCO2)n1 ZINC000447534755 420780646 /nfs/dbraw/zinc/78/06/46/420780646.db2.gz ZQIMCSXMLMXYNO-RWMBFGLXSA-N 1 0 310.354 1.280 20 5 DDBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](O)Cn1ccnn1 ZINC000459689384 420846524 /nfs/dbraw/zinc/84/65/24/420846524.db2.gz DKLAERNJGSAXKL-GXTWGEPZSA-N 1 0 319.365 1.158 20 5 DDBDRO C[NH2+][C@H]1CCCN(C(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000493327787 420819188 /nfs/dbraw/zinc/81/91/88/420819188.db2.gz VIRSKPDZLAEYNC-VGVVRCBHSA-N 1 0 307.325 1.958 20 5 DDBDRO C[NH2+]C1CCN(C(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000493391613 420836363 /nfs/dbraw/zinc/83/63/63/420836363.db2.gz RPJODLTUSRSECM-HWKANZROSA-N 1 0 307.325 1.958 20 5 DDBDRO C[C@@H]1[NH2+]CCN(C(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])[C@H]1C ZINC000493498403 420865881 /nfs/dbraw/zinc/86/58/81/420865881.db2.gz QHAYMRZDPYGEOZ-LJRGRFNSSA-N 1 0 307.325 1.956 20 5 DDBDRO C[C@H](NC(=O)NCCOCC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000471635103 420934397 /nfs/dbraw/zinc/93/43/97/420934397.db2.gz HYERMXVXEQXGPW-LBPRGKRZSA-N 1 0 324.381 1.533 20 5 DDBDRO O=C(N[C@H]1C[NH2+]CCC1(F)F)c1ccc([N+](=O)[O-])cc1F ZINC000449664576 421052468 /nfs/dbraw/zinc/05/24/68/421052468.db2.gz PWBJPMYMXNBADJ-JTQLQIEISA-N 1 0 303.240 1.461 20 5 DDBDRO CN(CC(=O)N[C@H](CC[NH3+])C(F)F)c1ccccc1[N+](=O)[O-] ZINC000449623465 421039849 /nfs/dbraw/zinc/03/98/49/421039849.db2.gz LUWABFQZHILRKA-SECBINFHSA-N 1 0 316.308 1.130 20 5 DDBDRO CNc1nc(C(=O)N[C@@H]2CCC[N@@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000456066594 421094527 /nfs/dbraw/zinc/09/45/27/421094527.db2.gz MMXGZNZUYJPBJU-LLVKDONJSA-N 1 0 321.381 1.634 20 5 DDBDRO CCOc1ccc(C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)cc1[N+](=O)[O-] ZINC000449742339 421070627 /nfs/dbraw/zinc/07/06/27/421070627.db2.gz YYDBJGJKEXHLEA-YPMHNXCESA-N 1 0 305.334 1.427 20 5 DDBDRO CNc1nc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)ccc1[N+](=O)[O-] ZINC000456333749 421144291 /nfs/dbraw/zinc/14/42/91/421144291.db2.gz UBDQCTCOIRJNDC-FGWVZKOKSA-N 1 0 319.365 1.387 20 5 DDBDRO C[C@@H]1C[C@@H](NC(=O)NCc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000524783286 421273096 /nfs/dbraw/zinc/27/30/96/421273096.db2.gz FTGMFNKPELCJOC-YPMHNXCESA-N 1 0 306.366 1.877 20 5 DDBDRO Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CO2 ZINC000563529883 421517999 /nfs/dbraw/zinc/51/79/99/421517999.db2.gz KBGHUANIKFHOPT-JSGCOSHPSA-N 1 0 318.333 1.184 20 5 DDBDRO CN(C)c1ncc(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)n1C ZINC000563351563 421489942 /nfs/dbraw/zinc/48/99/42/421489942.db2.gz KHXUKSKBTANCDH-UHFFFAOYSA-N 1 0 319.365 1.563 20 5 DDBDRO C[NH+](C)Cc1ccccc1CNC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000549158811 421496869 /nfs/dbraw/zinc/49/68/69/421496869.db2.gz LZHPGNKPCOAMEA-UHFFFAOYSA-N 1 0 303.322 1.310 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000516535980 421550517 /nfs/dbraw/zinc/55/05/17/421550517.db2.gz GZTWFBXVQZDTGO-UHFFFAOYSA-N 1 0 306.366 1.538 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000564075702 421567247 /nfs/dbraw/zinc/56/72/47/421567247.db2.gz NQRKZCJRSPJHAX-MRXNPFEDSA-N 1 0 319.361 1.819 20 5 DDBDRO COCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000516225688 421535117 /nfs/dbraw/zinc/53/51/17/421535117.db2.gz ATCQPMDXXIVKGQ-GXTWGEPZSA-N 1 0 321.377 1.535 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)NCc2ccc(C[NH3+])cc2)n1 ZINC000517237005 421603350 /nfs/dbraw/zinc/60/33/50/421603350.db2.gz PCPMVLDFEAENIH-UHFFFAOYSA-N 1 0 303.322 1.200 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N(C)C[C@@H]2CCC[N@H+](C)C2)n1 ZINC000519666029 421715768 /nfs/dbraw/zinc/71/57/68/421715768.db2.gz YMAOHAFMFXDKEC-LLVKDONJSA-N 1 0 322.365 1.554 20 5 DDBDRO CCCc1n[nH]c(C(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000518878252 421670939 /nfs/dbraw/zinc/67/09/39/421670939.db2.gz ITSNTNQEORYLLY-LLVKDONJSA-N 1 0 323.397 1.731 20 5 DDBDRO C[C@@H](C(=O)NCCN1CCO[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000555307759 421674697 /nfs/dbraw/zinc/67/46/97/421674697.db2.gz MJODKWFAUMOQOM-QWHCGFSZSA-N 1 0 321.377 1.535 20 5 DDBDRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000557147328 421762391 /nfs/dbraw/zinc/76/23/91/421762391.db2.gz RTGUAGKFRDXHCK-RISCZKNCSA-N 1 0 322.365 1.271 20 5 DDBDRO CC[N@@H+]1CCCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000521992784 421809460 /nfs/dbraw/zinc/80/94/60/421809460.db2.gz QKCAJEPLJXAXJR-UHFFFAOYSA-N 1 0 321.333 1.491 20 5 DDBDRO CC(C)(C)[N@@H+]1CCCN(C(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000542836922 421831228 /nfs/dbraw/zinc/83/12/28/421831228.db2.gz AVBNXEWQFBJOPS-UHFFFAOYSA-N 1 0 321.381 1.750 20 5 DDBDRO COc1ccc([C@@H](C[NH3+])Cn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000574635787 422149846 /nfs/dbraw/zinc/14/98/46/422149846.db2.gz VBLVMTACTJZHDH-LBPRGKRZSA-N 1 0 303.318 1.508 20 5 DDBDRO C[C@H]1C[C@H](Nc2ccc3ncc([N+](=O)[O-])n3n2)C[N@@H+]1C1CC1 ZINC000584383765 422299089 /nfs/dbraw/zinc/29/90/89/422299089.db2.gz PEOQRFYKDGKYIK-UWVGGRQHSA-N 1 0 302.338 1.675 20 5 DDBDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000594282472 422343622 /nfs/dbraw/zinc/34/36/22/422343622.db2.gz QGZDBNIXYIOQPE-GHMZBOCLSA-N 1 0 321.381 1.565 20 5 DDBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000594591226 422351582 /nfs/dbraw/zinc/35/15/82/422351582.db2.gz IHRIXKCGSOYKKG-RWMBFGLXSA-N 1 0 308.382 2.208 20 5 DDBDRO C[C@@H]1C[C@@H](C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000576030015 422360383 /nfs/dbraw/zinc/36/03/83/422360383.db2.gz KEPADCQMSPWHOU-HZSPNIEDSA-N 1 0 324.377 1.739 20 5 DDBDRO CC(C)Oc1nc(NCC[NH+]2CCC(O)CC2)ccc1[N+](=O)[O-] ZINC000577004126 422381698 /nfs/dbraw/zinc/38/16/98/422381698.db2.gz AQPJVHNVQBSIJV-UHFFFAOYSA-N 1 0 324.381 1.646 20 5 DDBDRO Cc1cc(NC(=O)CC[NH2+]Cc2cccc([N+](=O)[O-])c2C)no1 ZINC000591763421 422327640 /nfs/dbraw/zinc/32/76/40/422327640.db2.gz AIFPTHZQKCMSIA-UHFFFAOYSA-N 1 0 318.333 2.318 20 5 DDBDRO COC(=O)c1ccnc(NCCC[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000598589426 422397504 /nfs/dbraw/zinc/39/75/04/422397504.db2.gz MYYCXFMLIXIONJ-UHFFFAOYSA-N 1 0 322.365 2.064 20 5 DDBDRO CC(C)C1CCC([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000578232451 422529396 /nfs/dbraw/zinc/52/93/96/422529396.db2.gz SXWAAJYXZKXWRO-SSDMNJCBSA-N 1 0 310.398 1.957 20 5 DDBDRO CC[C@@H](C)[NH2+][C@H](CNC(=O)c1c[nH]nc1[N+](=O)[O-])c1ccco1 ZINC000578788957 422648861 /nfs/dbraw/zinc/64/88/61/422648861.db2.gz PHGHCSNBFKAFKK-MWLCHTKSSA-N 1 0 321.337 1.770 20 5 DDBDRO CC1(C)COCCN1CCNc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000179299962 263357683 /nfs/dbraw/zinc/35/76/83/263357683.db2.gz RCEMWLAYMJNFGV-UHFFFAOYSA-N 1 0 320.353 1.160 20 5 DDBDRO Cc1cc(N2C[C@@H](O)[C@H](CO)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000317429036 271022149 /nfs/dbraw/zinc/02/21/49/271022149.db2.gz LKIGLMRSWBPABP-ZUZCIYMTSA-N 1 0 303.318 1.241 20 5 DDBDRO O=C1CC[C@@H]([NH2+]Cc2c(F)cccc2[N+](=O)[O-])[C@@H](C2CC2)N1 ZINC000342073947 271291416 /nfs/dbraw/zinc/29/14/16/271291416.db2.gz ZIFPQVWMYCNGLE-IUODEOHRSA-N 1 0 307.325 1.881 20 5 DDBDRO COC(=O)c1cc(C)nc(N[C@H]2CC[N@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000342365438 271390699 /nfs/dbraw/zinc/39/06/99/271390699.db2.gz VYYKYQXPAUYICL-QWRGUYRKSA-N 1 0 322.365 1.979 20 5 DDBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]C[C@H](O)C(F)F)c1 ZINC000344778301 272116360 /nfs/dbraw/zinc/11/63/60/272116360.db2.gz RGVNAWVHAVCCFC-QMMMGPOBSA-N 1 0 312.219 1.912 20 5 DDBDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000345449492 272254126 /nfs/dbraw/zinc/25/41/26/272254126.db2.gz AUHRVGDZHWFGRF-LBPRGKRZSA-N 1 0 308.382 1.928 20 5 DDBDRO CCOc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000347745996 272749351 /nfs/dbraw/zinc/74/93/51/272749351.db2.gz LFLAFXOOBXYZDV-GFCCVEGCSA-N 1 0 307.350 1.818 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[NH+](CC3CC3)CC2)c1 ZINC000302092646 274004279 /nfs/dbraw/zinc/00/42/79/274004279.db2.gz MRAHRIQSPDHGMG-UHFFFAOYSA-N 1 0 319.361 1.913 20 5 DDBDRO CC(C)[NH2+]C1CCN(c2c(C(N)=O)cccc2[N+](=O)[O-])CC1 ZINC000420591522 275656622 /nfs/dbraw/zinc/65/66/22/275656622.db2.gz YMVRTWYBAVYLNC-UHFFFAOYSA-N 1 0 306.366 1.661 20 5 DDBDRO CN1CCN(C)[C@@H](C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000278849940 277101807 /nfs/dbraw/zinc/10/18/07/277101807.db2.gz VPMDHOSDTOTRMH-DOTOQJQBSA-N 1 0 318.421 1.808 20 5 DDBDRO COCCC[N@H+](C)CCNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000152354101 277204948 /nfs/dbraw/zinc/20/49/48/277204948.db2.gz FJNHRGXRVABBLC-UHFFFAOYSA-N 1 0 324.381 1.091 20 5 DDBDRO CNC(=O)N[C@H]1CC[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000334047271 277238825 /nfs/dbraw/zinc/23/88/25/277238825.db2.gz BECTZVWVHOSCIZ-NEPJUHHUSA-N 1 0 306.366 1.968 20 5 DDBDRO CON1CCC([NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000421866517 277274139 /nfs/dbraw/zinc/27/41/39/277274139.db2.gz AMWAAEDOSUMTDZ-KGLIPLIRSA-N 1 0 323.397 1.890 20 5 DDBDRO C[C@@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])[C@H](C)[NH3+] ZINC000449594085 278330501 /nfs/dbraw/zinc/33/05/01/278330501.db2.gz XEXQQKWNBXDWOE-NKWVEPMBSA-N 1 0 316.155 1.823 20 5 DDBDRO Cc1cc(C)c(S(=O)(=O)N[C@H](C)CCC[NH3+])cc1[N+](=O)[O-] ZINC000420435459 278664536 /nfs/dbraw/zinc/66/45/36/278664536.db2.gz GXBLANQIZSQDFD-LLVKDONJSA-N 1 0 315.395 1.617 20 5 DDBDRO CC(C)C(=O)NCC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447515121 278689799 /nfs/dbraw/zinc/68/97/99/278689799.db2.gz AZGLCZFUCLKBLA-CHWSQXEVSA-N 1 0 323.397 1.637 20 5 DDBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000180925209 279302971 /nfs/dbraw/zinc/30/29/71/279302971.db2.gz CHTMRVGYBYNSGJ-LLVKDONJSA-N 1 0 306.366 1.781 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(N2CCC(C[NH+]3CCOCC3)CC2)n1 ZINC000178174218 281009653 /nfs/dbraw/zinc/00/96/53/281009653.db2.gz PQDOFZMDHJOFSE-UHFFFAOYSA-N 1 0 320.393 1.847 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(N2CC[NH+](C[C@H]3CCOC3)CC2)n1 ZINC000178250485 281012237 /nfs/dbraw/zinc/01/22/37/281012237.db2.gz IWZHCQHAQLBPNA-CYBMUJFWSA-N 1 0 306.366 1.457 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000286103542 281021165 /nfs/dbraw/zinc/02/11/65/281021165.db2.gz IMKWPJREWIEHLL-XHDPSFHLSA-N 1 0 307.350 1.276 20 5 DDBDRO C[NH2+]Cc1ccccc1NC(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000122580397 281158282 /nfs/dbraw/zinc/15/82/82/281158282.db2.gz LJPBKELDURQVKD-UHFFFAOYSA-N 1 0 317.349 1.848 20 5 DDBDRO C[C@H](c1ccccc1[N+](=O)[O-])N(C)CC(=O)N1CC[NH2+]CC1 ZINC000261862024 290267122 /nfs/dbraw/zinc/26/71/22/290267122.db2.gz GAHGOYGLJLEDSK-GFCCVEGCSA-N 1 0 306.366 1.019 20 5 DDBDRO Cc1c(NC(=O)NCCOCC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000361434909 299867299 /nfs/dbraw/zinc/86/72/99/299867299.db2.gz HWUACRSJYDQHQF-UHFFFAOYSA-N 1 0 310.354 1.603 20 5 DDBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000572882976 304562118 /nfs/dbraw/zinc/56/21/18/304562118.db2.gz WIOLGKUKJJTWTF-GHMZBOCLSA-N 1 0 317.349 1.636 20 5 DDBDRO CC[NH+](CC)C[C@@H](C)NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000353959752 298324801 /nfs/dbraw/zinc/32/48/01/298324801.db2.gz HBNKTTCAYKAVCC-GFCCVEGCSA-N 1 0 308.382 1.853 20 5 DDBDRO O=C(N[C@@H]1CCC[NH2+]CC1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000363999416 300334288 /nfs/dbraw/zinc/33/42/88/300334288.db2.gz NJHVJVSHYCMDTE-SNVBAGLBSA-N 1 0 321.333 1.238 20 5 DDBDRO NC(=O)c1ccc(N2CC[C@@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000364064140 300340557 /nfs/dbraw/zinc/34/05/57/300340557.db2.gz AOYAEBARVUSINH-GFCCVEGCSA-N 1 0 304.350 1.368 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH3+])C2 ZINC000364580593 300415444 /nfs/dbraw/zinc/41/54/44/300415444.db2.gz FQDAVCKJPBFBIE-JGPRNRPPSA-N 1 0 305.334 1.698 20 5 DDBDRO Cc1nn(C)c(C(=O)N2CCCC3(CC[NH2+]CC3)C2)c1[N+](=O)[O-] ZINC000368818260 301092375 /nfs/dbraw/zinc/09/23/75/301092375.db2.gz PQBCKFUMAYEQSA-UHFFFAOYSA-N 1 0 321.381 1.243 20 5 DDBDRO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000369912999 301238869 /nfs/dbraw/zinc/23/88/69/301238869.db2.gz MLUACXOGYBHBNP-BZUAXINKSA-N 1 0 317.389 1.775 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C[NH3+])CC(C)C ZINC000111830094 301865299 /nfs/dbraw/zinc/86/52/99/301865299.db2.gz WNLSFGANDRAYBV-NSHDSACASA-N 1 0 315.395 1.555 20 5 DDBDRO O=[N+]([O-])c1ccc(CN2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1 ZINC000376496365 302085223 /nfs/dbraw/zinc/08/52/23/302085223.db2.gz WPVOEOTUALOYHW-CVEARBPZSA-N 1 0 305.378 1.626 20 5 DDBDRO C[C@@H]1[C@H](NC(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000377079655 302140395 /nfs/dbraw/zinc/14/03/95/302140395.db2.gz CVGROMQSKOONJR-NGFQHRJXSA-N 1 0 303.362 1.431 20 5 DDBDRO C[NH+](C)C1(CNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC1 ZINC000397796193 302356196 /nfs/dbraw/zinc/35/61/96/302356196.db2.gz GDPMFSDECLIUMP-UHFFFAOYSA-N 1 0 304.350 1.986 20 5 DDBDRO [NH3+][C@@H]1CCCC[C@H]1CC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000517560477 302814764 /nfs/dbraw/zinc/81/47/64/302814764.db2.gz IIDQUFDCSXIQFP-SWLSCSKDSA-N 1 0 321.377 1.997 20 5 DDBDRO O=C(CCOC1C[NH2+]C1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000517944239 302820721 /nfs/dbraw/zinc/82/07/21/302820721.db2.gz VNOGJUKAPZEICZ-UHFFFAOYSA-N 1 0 319.361 1.464 20 5 DDBDRO [NH3+]CC[C@@H](NC(=O)NCc1cccc([N+](=O)[O-])c1)C(F)F ZINC000519117799 302833764 /nfs/dbraw/zinc/83/37/64/302833764.db2.gz AFKBYWMPJJFJMH-SNVBAGLBSA-N 1 0 302.281 1.377 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CCc1cscn1 ZINC000521611570 302877315 /nfs/dbraw/zinc/87/73/15/302877315.db2.gz FIVNRPLAGHRJBQ-GFCCVEGCSA-N 1 0 323.374 1.623 20 5 DDBDRO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cn1)[N@@H+]1CCCC[C@@H]1C ZINC000532134478 303276264 /nfs/dbraw/zinc/27/62/64/303276264.db2.gz ZCMFMQXNBZBRBK-NWDGAFQWSA-N 1 0 306.366 1.983 20 5 DDBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000532142870 303276821 /nfs/dbraw/zinc/27/68/21/303276821.db2.gz FNNFUJCCBZUYPX-LBPRGKRZSA-N 1 0 306.366 1.794 20 5 DDBDRO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000537719121 303378486 /nfs/dbraw/zinc/37/84/86/303378486.db2.gz XNDRSVODPMIYCN-AWEZNQCLSA-N 1 0 323.393 1.726 20 5 DDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C2(C3CC3)CC2)cc1 ZINC000541596892 303424557 /nfs/dbraw/zinc/42/45/57/303424557.db2.gz MUYFOXFHVIWSGI-UHFFFAOYSA-N 1 0 310.375 1.901 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000546784991 303519002 /nfs/dbraw/zinc/51/90/02/303519002.db2.gz GNCVIAXTASSKJM-UHFFFAOYSA-N 1 0 308.382 1.785 20 5 DDBDRO C[NH+](C)Cc1ccc(NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000562997063 303907625 /nfs/dbraw/zinc/90/76/25/303907625.db2.gz JFCKFRZGNUYCGM-HNNXBMFYSA-N 1 0 319.365 1.326 20 5 DDBDRO C[C@H]1C[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@@H]1CO ZINC000362090447 307014089 /nfs/dbraw/zinc/01/40/89/307014089.db2.gz NHQPITCKCCIFJK-WCQYABFASA-N 1 0 319.361 1.044 20 5 DDBDRO COCCC[N@@H+]1CCCN(c2nc(C)ccc2[N+](=O)[O-])CC1 ZINC000363786592 307035914 /nfs/dbraw/zinc/03/59/14/307035914.db2.gz VDXWLGKVBADXFF-UHFFFAOYSA-N 1 0 308.382 1.847 20 5 DDBDRO [NH3+][C@H]1CCC[C@@]12CCN(C(=O)COc1ccccc1[N+](=O)[O-])C2 ZINC000364182026 307043077 /nfs/dbraw/zinc/04/30/77/307043077.db2.gz DECOGRSFLYXSJR-HOCLYGCPSA-N 1 0 319.361 1.704 20 5 DDBDRO Nc1c(C(=O)N2CC[C@@]3(CCC[C@@H]3[NH3+])C2)cc(F)cc1[N+](=O)[O-] ZINC000365087396 307058369 /nfs/dbraw/zinc/05/83/69/307058369.db2.gz CLRZBCLKIYNUAY-WFASDCNBSA-N 1 0 322.340 1.660 20 5 DDBDRO CCn1nccc1CC[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000367254244 307089869 /nfs/dbraw/zinc/08/98/69/307089869.db2.gz WALWFYGIZUNUBV-CQSZACIVSA-N 1 0 318.381 1.887 20 5 DDBDRO CCc1nn(C)c(N2C[C@H]([NH+]3CCCC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000367750218 307103699 /nfs/dbraw/zinc/10/36/99/307103699.db2.gz ZWOQKBYIZDPVRL-VXGBXAGGSA-N 1 0 307.398 1.954 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H](O)C2(CC2)C1 ZINC000368793734 307109822 /nfs/dbraw/zinc/10/98/22/307109822.db2.gz ZJROLWVVGQXEAM-CQSZACIVSA-N 1 0 319.361 1.689 20 5 DDBDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1Cc1c([N+](=O)[O-])ncn1C ZINC000369644806 307125713 /nfs/dbraw/zinc/12/57/13/307125713.db2.gz AKOLYITZDHWXEC-LBPRGKRZSA-N 1 0 323.397 1.013 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCCC23CCCCC3)c1 ZINC000371164666 307143819 /nfs/dbraw/zinc/14/38/19/307143819.db2.gz JPUHGQYMJSMEKA-AWEZNQCLSA-N 1 0 308.382 1.951 20 5 DDBDRO Cn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)n1 ZINC000373164193 307180550 /nfs/dbraw/zinc/18/05/50/307180550.db2.gz DBUGOYITADFACY-SNVBAGLBSA-N 1 0 307.354 1.075 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c(F)c1 ZINC000375774429 307230635 /nfs/dbraw/zinc/23/06/35/307230635.db2.gz OWPZEJWHDVBBQN-GJZGRUSLSA-N 1 0 309.341 1.769 20 5 DDBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NC[C@@H]1C[NH2+]CCCO1 ZINC000390141853 307293631 /nfs/dbraw/zinc/29/36/31/307293631.db2.gz JPPMFZNPAQEMHY-ZBKLQPJUSA-N 1 0 305.334 1.103 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@H]2CCC[C@@H]2C2CC2)c1 ZINC000566120656 308044158 /nfs/dbraw/zinc/04/41/58/308044158.db2.gz NZFCVTNCOGLAKO-BPLDGKMQSA-N 1 0 308.382 1.568 20 5 DDBDRO CCc1cc(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)on1 ZINC000573713582 308250269 /nfs/dbraw/zinc/25/02/69/308250269.db2.gz ZCLOVSLCDNRYCA-CYBMUJFWSA-N 1 0 321.333 1.675 20 5 DDBDRO COc1ccc(OCCN2CC[C@@H]([NH3+])C[C@H]2C)c([N+](=O)[O-])c1 ZINC000576766232 308338343 /nfs/dbraw/zinc/33/83/43/308338343.db2.gz TUKSKCSBKIQOMS-VXGBXAGGSA-N 1 0 309.366 1.794 20 5 DDBDRO NC(=O)C1(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CCOCC1 ZINC000576956795 308352701 /nfs/dbraw/zinc/35/27/01/308352701.db2.gz GQSRTXLGURMEPP-CYBMUJFWSA-N 1 0 319.361 1.454 20 5 DDBDRO CC[C@H](C)[C@H](O)C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000577280350 308376297 /nfs/dbraw/zinc/37/62/97/308376297.db2.gz ODXNTWYSVJTGQK-OUCADQQQSA-N 1 0 312.366 1.331 20 5 DDBDRO O=C(CC[NH2+]C[C@H]1CCC[C@@H]1O)Nc1ccccc1[N+](=O)[O-] ZINC000577751519 308412395 /nfs/dbraw/zinc/41/23/95/308412395.db2.gz JFSDWDZSDDAZPH-RISCZKNCSA-N 1 0 307.350 1.674 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@H](O)[C@H]1CCOC1)CCC2 ZINC000578721516 308479891 /nfs/dbraw/zinc/47/98/91/308479891.db2.gz QQRDIMCGUFJWGS-MAZHCROVSA-N 1 0 306.362 1.959 20 5 DDBDRO [NH3+]C[C@H]1CC[C@H](NC(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000580539827 308611634 /nfs/dbraw/zinc/61/16/34/308611634.db2.gz UOBAVIMMQQTGGF-RYUDHWBXSA-N 1 0 322.365 1.400 20 5 DDBDRO CNc1ccc(C(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000580644185 308620224 /nfs/dbraw/zinc/62/02/24/308620224.db2.gz NPLMUFDSGGWHIR-ZYHUDNBSSA-N 1 0 306.366 1.836 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C2CCC(F)(F)CC2)c1 ZINC000389979667 325780174 /nfs/dbraw/zinc/78/01/74/325780174.db2.gz WVTUKSURNMJETP-NSHDSACASA-N 1 0 304.297 1.320 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@@H]2CCCCC2(F)F)c1 ZINC000390977489 325784449 /nfs/dbraw/zinc/78/44/49/325784449.db2.gz UIKGHHUGILKZFO-CMPLNLGQSA-N 1 0 318.324 1.567 20 5 DDBDRO [NH3+]C[C@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000583692687 337009925 /nfs/dbraw/zinc/00/99/25/337009925.db2.gz VNZAPABESLBJJZ-AWEZNQCLSA-N 1 0 307.350 1.104 20 5 DDBDRO C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000582902495 337213398 /nfs/dbraw/zinc/21/33/98/337213398.db2.gz LORDYUKTYCXPKJ-DMDPSCGWSA-N 1 0 319.365 1.001 20 5 DDBDRO CCN1C[C@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1=O ZINC000583317483 337314654 /nfs/dbraw/zinc/31/46/54/337314654.db2.gz KMTBXWKSYPSXLS-LLVKDONJSA-N 1 0 320.349 1.134 20 5 DDBDRO CC[C@@H]1C[N@H+](C)CCN1C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000583892210 337384086 /nfs/dbraw/zinc/38/40/86/337384086.db2.gz ZIFGKSKNRJFWGB-CYBMUJFWSA-N 1 0 320.393 1.584 20 5 DDBDRO O=[N+]([O-])c1cccc2ncnc(NC[C@H]3CSCC[NH2+]3)c21 ZINC000603420239 483933641 /nfs/dbraw/zinc/93/36/41/483933641.db2.gz QZZYZDLNBNWZQZ-VIFPVBQESA-N 1 0 305.363 1.655 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@H]2CCCC2(F)F)c1 ZINC000390875441 483981904 /nfs/dbraw/zinc/98/19/04/483981904.db2.gz LJEUHTKKLIBBIU-MWLCHTKSSA-N 1 0 304.297 1.177 20 5 DDBDRO C[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000488728639 484215209 /nfs/dbraw/zinc/21/52/09/484215209.db2.gz FLAAXYDCEIKKJP-ZYHUDNBSSA-N 1 0 318.333 1.848 20 5 DDBDRO Cc1c(Cl)cc(S(=O)(=O)NC[C@@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000447257482 533874666 /nfs/dbraw/zinc/87/46/66/533874666.db2.gz RYWYNXPTBTYUFC-ZETCQYMHSA-N 1 0 321.786 1.430 20 5 DDBDRO COC(=O)c1cc(NC(=O)[C@H](C(C)C)[C@H](C)[NH3+])cc([N+](=O)[O-])c1 ZINC000422999041 533883218 /nfs/dbraw/zinc/88/32/18/533883218.db2.gz DNCPWVSBFSOHSK-TVQRCGJNSA-N 1 0 323.349 1.939 20 5 DDBDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000331338433 533922881 /nfs/dbraw/zinc/92/28/81/533922881.db2.gz JMEIXTJWSHQKBG-STQMWFEESA-N 1 0 320.393 1.948 20 5 DDBDRO C[C@@H]1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000424021123 533948569 /nfs/dbraw/zinc/94/85/69/533948569.db2.gz TUDUUVHEUPVHGU-NEPJUHHUSA-N 1 0 306.366 1.450 20 5 DDBDRO C[C@H]1C[C@@H](NC(=O)COc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000330895787 534104309 /nfs/dbraw/zinc/10/43/09/534104309.db2.gz GJWAYHMYYYVHRG-RYUDHWBXSA-N 1 0 307.350 1.573 20 5 DDBDRO C[C@@H]1OCC[C@]1(C)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000494278136 534205947 /nfs/dbraw/zinc/20/59/47/534205947.db2.gz XICHJSFOEDTGIL-LNSITVRQSA-N 1 0 310.350 1.492 20 5 DDBDRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000156572800 524858314 /nfs/dbraw/zinc/85/83/14/524858314.db2.gz KKPPTQDYNIIYOS-QWRGUYRKSA-N 1 0 309.370 1.112 20 5 DDBDRO O=[N+]([O-])c1cnc(N2CC[C@H](OCC[NH+]3CCCCC3)C2)nc1 ZINC000302205790 534888880 /nfs/dbraw/zinc/88/88/80/534888880.db2.gz DFHYPSJUEFRLQV-AWEZNQCLSA-N 1 0 321.381 1.466 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000157291375 527312491 /nfs/dbraw/zinc/31/24/91/527312491.db2.gz RWEKLBAYMSAYKS-SWLSCSKDSA-N 1 0 318.377 1.855 20 5 DDBDRO CC(C)[C@](C)([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C(N)=O ZINC000411726539 527950654 /nfs/dbraw/zinc/95/06/54/527950654.db2.gz LFRCSWLQUBKBRC-HNNXBMFYSA-N 1 0 322.365 1.413 20 5 DDBDRO CC[NH+](CC)CCCNC(=O)c1ccc([N+](=O)[O-])c(NC)n1 ZINC000454200957 528111020 /nfs/dbraw/zinc/11/10/20/528111020.db2.gz XGMLCIALCSQSJU-UHFFFAOYSA-N 1 0 309.370 1.493 20 5 DDBDRO CC[NH+](CC)CC[C@H](CO)Nc1ncc([N+](=O)[O-])cc1F ZINC000413278084 528166695 /nfs/dbraw/zinc/16/66/95/528166695.db2.gz YLAIKHTVZCYLNS-SNVBAGLBSA-N 1 0 300.334 1.634 20 5 DDBDRO CCOc1cc(N2CC[N@H+](CCO)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000302485920 528311584 /nfs/dbraw/zinc/31/15/84/528311584.db2.gz YKKMEMRJKHOSHX-GFCCVEGCSA-N 1 0 309.366 1.496 20 5 DDBDRO CC1(C)CN(C(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000492096065 529058952 /nfs/dbraw/zinc/05/89/52/529058952.db2.gz OOOUMTMDCDDJOP-GQCTYLIASA-N 1 0 307.325 1.958 20 5 DDBDRO C[NH+](C)[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000736757884 598506208 /nfs/dbraw/zinc/50/62/08/598506208.db2.gz YSUKUZABAWHMEV-NSHDSACASA-N 1 0 317.353 1.305 20 5 DDBDRO O=[N+]([O-])c1ccc(NCC[NH+]2CCCCC2)c(-c2nn[nH]n2)c1 ZINC000738370878 598601227 /nfs/dbraw/zinc/60/12/27/598601227.db2.gz RJUWGXDYNSTYNJ-UHFFFAOYSA-N 1 0 317.353 1.673 20 5 DDBDRO CN(CCC[NH+](C)C)c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000825860569 608583813 /nfs/dbraw/zinc/58/38/13/608583813.db2.gz RUUURCUGPLFVNS-UHFFFAOYSA-N 1 0 305.342 1.163 20 5 DDBDRO CC(=O)NCCC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000121468353 696710768 /nfs/dbraw/zinc/71/07/68/696710768.db2.gz LWIXSLPNALOHPT-UHFFFAOYSA-N 1 0 320.393 1.679 20 5 DDBDRO CNC(=O)[C@]1(C)CC[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000797418619 700008560 /nfs/dbraw/zinc/00/85/60/700008560.db2.gz ZNJLTDIICDCOIZ-OAHLLOKOSA-N 1 0 317.349 1.360 20 5 DDBDRO Cc1cc(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)c(N)c([N+](=O)[O-])c1 ZINC000108459085 696634001 /nfs/dbraw/zinc/63/40/01/696634001.db2.gz ARVIPMGGDRHOCR-LBPRGKRZSA-N 1 0 318.377 1.700 20 5 DDBDRO Cc1ccc(S(=O)(=O)N[C@H](C[NH3+])CC(C)C)cc1[N+](=O)[O-] ZINC000111829887 696645997 /nfs/dbraw/zinc/64/59/97/696645997.db2.gz XPXJRACKTVAEKV-NSHDSACASA-N 1 0 315.395 1.555 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CCOC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000124015528 696738061 /nfs/dbraw/zinc/73/80/61/696738061.db2.gz QRTWFEXNOWEPMK-LBPRGKRZSA-N 1 0 324.381 1.907 20 5 DDBDRO CN(CCc1ccc([N+](=O)[O-])cc1)CC(C)(C)S(C)(=O)=O ZINC000124272333 696741071 /nfs/dbraw/zinc/74/10/71/696741071.db2.gz GIXLBNUEVGSPIH-UHFFFAOYSA-N 1 0 314.407 1.892 20 5 DDBDRO C[NH2+][C@H]1CCCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000126842337 696765895 /nfs/dbraw/zinc/76/58/95/696765895.db2.gz YALUGZXVJKTPJX-VIFPVBQESA-N 1 0 317.342 1.106 20 5 DDBDRO O=C(C[C@@H]1CC[NH2+]C1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000174019039 697383308 /nfs/dbraw/zinc/38/33/08/697383308.db2.gz SYRBWYHCNQSAAQ-ZDUSSCGKSA-N 1 0 318.377 1.243 20 5 DDBDRO C[C@H](CN1CCCC1=O)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000749680023 700176915 /nfs/dbraw/zinc/17/69/15/700176915.db2.gz YXKUNFVKWZNAFT-RISCZKNCSA-N 1 0 307.350 1.229 20 5 DDBDRO CN(CC(F)F)C1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000749847182 700189516 /nfs/dbraw/zinc/18/95/16/700189516.db2.gz ZDFCBWMLTZCTIU-UHFFFAOYSA-N 1 0 317.340 1.453 20 5 DDBDRO NC(=O)C[C@H]1CCCC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776582168 698121189 /nfs/dbraw/zinc/12/11/89/698121189.db2.gz RVCURFPACBJKPP-KGLIPLIRSA-N 1 0 307.350 1.358 20 5 DDBDRO O=[N+]([O-])c1ccc(CN2CC[NH+](CCCCO)CC2)c(F)c1 ZINC000750053579 700200832 /nfs/dbraw/zinc/20/08/32/700200832.db2.gz PILZMCLJFYAORN-UHFFFAOYSA-N 1 0 311.357 1.624 20 5 DDBDRO CN(CCC[NH+](C)C)C(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000778418509 698334692 /nfs/dbraw/zinc/33/46/92/698334692.db2.gz FYMDCRXYMMQNNJ-UHFFFAOYSA-N 1 0 323.378 1.623 20 5 DDBDRO C[NH2+][C@H]1CCCN(CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1 ZINC000261773432 698437040 /nfs/dbraw/zinc/43/70/40/698437040.db2.gz OHEUOPZNHIHAKL-LBPRGKRZSA-N 1 0 306.366 1.526 20 5 DDBDRO COc1ccc(C(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000262475064 698471106 /nfs/dbraw/zinc/47/11/06/698471106.db2.gz JNNMJHLGIQCYHA-JQWIXIFHSA-N 1 0 307.350 1.660 20 5 DDBDRO Cc1cc(N2CCC(n3ccc([N+](=O)[O-])n3)CC2)nc(N)[nH+]1 ZINC000784521677 698944478 /nfs/dbraw/zinc/94/44/78/698944478.db2.gz GIYXIQMNQSZQJF-UHFFFAOYSA-N 1 0 303.326 1.313 20 5 DDBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000725374561 699331388 /nfs/dbraw/zinc/33/13/88/699331388.db2.gz PXUYMFWRGVKPMN-MNOVXSKESA-N 1 0 311.363 1.110 20 5 DDBDRO Cc1nn(C[N@@H+]2CC[C@@](C)(C(N)=O)C2)c2ccc([N+](=O)[O-])cc12 ZINC000794704606 699825334 /nfs/dbraw/zinc/82/53/34/699825334.db2.gz LIXCPBCAXGZWNK-OAHLLOKOSA-N 1 0 317.349 1.408 20 5 DDBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(C(=O)NCCO)CC1 ZINC000743840748 699928214 /nfs/dbraw/zinc/92/82/14/699928214.db2.gz KXAWTBOBHQKAQV-GFCCVEGCSA-N 1 0 321.377 1.476 20 5 DDBDRO CC(C)([NH2+]CCOc1ccccc1[N+](=O)[O-])C(=O)N1CCCC1 ZINC000796583818 699941057 /nfs/dbraw/zinc/94/10/57/699941057.db2.gz ZUDMDASOJOQSNX-UHFFFAOYSA-N 1 0 321.377 1.964 20 5 DDBDRO CC[N@@H+]1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC)C[C@H]1C ZINC000754079786 700481381 /nfs/dbraw/zinc/48/13/81/700481381.db2.gz LTTIGIGTZUNFBD-LLVKDONJSA-N 1 0 306.366 1.485 20 5 DDBDRO COC(=O)C[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000754541054 700510100 /nfs/dbraw/zinc/51/01/00/700510100.db2.gz URKXKGHBUXSCMI-KGLIPLIRSA-N 1 0 308.334 1.560 20 5 DDBDRO O=[N+]([O-])c1cnc(NC2CC[NH+](C[C@@H]3CCCO3)CC2)nc1 ZINC000760478786 700810297 /nfs/dbraw/zinc/81/02/97/700810297.db2.gz VZMJBGILRQQKLH-ZDUSSCGKSA-N 1 0 307.354 1.440 20 5 DDBDRO Cc1c(NC(=O)[C@H](C)N2CC[N@H+](C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000761076318 700840032 /nfs/dbraw/zinc/84/00/32/700840032.db2.gz NRRLOSOLCXRHFT-AAEUAGOBSA-N 1 0 320.393 1.866 20 5 DDBDRO C[NH+](C)C1(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000763043524 700921722 /nfs/dbraw/zinc/92/17/22/700921722.db2.gz DOMZYCIPGZPLNV-UHFFFAOYSA-N 1 0 307.350 1.574 20 5 DDBDRO COc1ccc(NC(=O)C[NH2+][C@H](CCO)C2CC2)c([N+](=O)[O-])c1 ZINC000763065825 700923609 /nfs/dbraw/zinc/92/36/09/700923609.db2.gz MWURRNNXLDZQOT-GFCCVEGCSA-N 1 0 323.349 1.293 20 5 DDBDRO COC(=O)c1occc1CN(CC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000809734806 701683687 /nfs/dbraw/zinc/68/36/87/701683687.db2.gz RBECZNHFYBEXGN-UHFFFAOYSA-N 1 0 319.317 1.940 20 5 DDBDRO COC(=O)c1cc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)c[nH]1 ZINC000809734696 701683696 /nfs/dbraw/zinc/68/36/96/701683696.db2.gz NSPQKYUANFIFEX-UHFFFAOYSA-N 1 0 318.333 1.675 20 5 DDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N(C)CC[N@H+](C)C1CC1 ZINC000770220320 701271917 /nfs/dbraw/zinc/27/19/17/701271917.db2.gz DTXDEUCGWZOTMW-UHFFFAOYSA-N 1 0 306.366 1.485 20 5 DDBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000879145356 706598591 /nfs/dbraw/zinc/59/85/91/706598591.db2.gz TXQNPXWWKXTHHE-LLVKDONJSA-N 1 0 308.338 1.819 20 5 DDBDRO O=C1N[C@H]2C[N@H+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)CC[C@@H]2CO1 ZINC000830917410 706602480 /nfs/dbraw/zinc/60/24/80/706602480.db2.gz XVJIOYUVBHCPAF-KWCYVHTRSA-N 1 0 321.333 1.059 20 5 DDBDRO C[C@H]1C[C@H](O)CN1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839533247 701727537 /nfs/dbraw/zinc/72/75/37/701727537.db2.gz QOKSYPRJRSERCJ-WPRPVWTQSA-N 1 0 313.741 1.642 20 5 DDBDRO COC(=O)[C@@]1(C)CCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000839668353 701773973 /nfs/dbraw/zinc/77/39/73/701773973.db2.gz ZRGXFQMRYHLJCZ-HOCLYGCPSA-N 1 0 322.361 1.903 20 5 DDBDRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000830995901 706617511 /nfs/dbraw/zinc/61/75/11/706617511.db2.gz OEGRPIJZABAIEL-HZSPNIEDSA-N 1 0 308.334 1.560 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(c3ccc([N+](=O)[O-])c4nonc43)CC[C@H]21 ZINC000866207001 706648520 /nfs/dbraw/zinc/64/85/20/706648520.db2.gz NUVVZLLYSJTWOX-NXEZZACHSA-N 1 0 303.322 1.661 20 5 DDBDRO C[N@@H+]1CC[C@H]2CN(c3ccc(C(N)=O)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000866206768 706648670 /nfs/dbraw/zinc/64/86/70/706648670.db2.gz NAYJROBUMLTZJL-RYUDHWBXSA-N 1 0 304.350 1.224 20 5 DDBDRO CN(C[C@@H](O)C[NH3+])C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000841102722 702348031 /nfs/dbraw/zinc/34/80/31/702348031.db2.gz IVQXJULXTADMLL-QMMMGPOBSA-N 1 0 302.718 1.032 20 5 DDBDRO COC(=O)N(C)CC[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866389654 706687541 /nfs/dbraw/zinc/68/75/41/706687541.db2.gz HSZJHPLWHLKNFO-SNVBAGLBSA-N 1 0 313.329 1.953 20 5 DDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@]3(CCC[NH2+]3)C2)s1 ZINC000842485976 702728347 /nfs/dbraw/zinc/72/83/47/702728347.db2.gz WSROSHPTQBMNAG-LLVKDONJSA-N 1 0 317.392 1.173 20 5 DDBDRO Cc1cc(Cl)c(S(=O)(=O)NC[C@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000842787542 702773726 /nfs/dbraw/zinc/77/37/26/702773726.db2.gz QBTODUITPAHOMF-SSDOTTSWSA-N 1 0 321.786 1.430 20 5 DDBDRO CC[C@@H]([NH3+])CNS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C ZINC000842888134 702787643 /nfs/dbraw/zinc/78/76/43/702787643.db2.gz OVDOVPBNMAMXNH-MRVPVSSYSA-N 1 0 321.786 1.572 20 5 DDBDRO COc1cc(Cc2noc([C@H]3C[C@@H]([NH3+])C3)n2)ccc1[N+](=O)[O-] ZINC000843191927 702838220 /nfs/dbraw/zinc/83/82/20/702838220.db2.gz OKEIVUVVIGOMHH-AOOOYVTPSA-N 1 0 304.306 1.782 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N[C@H]2CC[NH2+][C@@H](C)C2)cc1[N+](=O)[O-] ZINC000843471909 702888444 /nfs/dbraw/zinc/88/84/44/702888444.db2.gz PDECRQPCELBSGM-KWQFWETISA-N 1 0 322.321 1.682 20 5 DDBDRO C[C@H](CO)C1CC[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000844417154 703028702 /nfs/dbraw/zinc/02/87/02/703028702.db2.gz SGDMYDVTKVHEOD-MLGOLLRUSA-N 1 0 308.378 1.969 20 5 DDBDRO [NH3+][C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC[C@H]1F ZINC000851649390 703822617 /nfs/dbraw/zinc/82/26/17/703822617.db2.gz XKVSQPJXQHCPIZ-GHMZBOCLSA-N 1 0 312.257 1.014 20 5 DDBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NCC[NH2+]C1CC1 ZINC000818541104 703922257 /nfs/dbraw/zinc/92/22/57/703922257.db2.gz CVCSVFMGEMQWHD-UHFFFAOYSA-N 1 0 315.732 1.798 20 5 DDBDRO CCO[C@H](CNC(=O)c1cccc(C)c1[N+](=O)[O-])C[NH+](C)C ZINC000831766139 706775296 /nfs/dbraw/zinc/77/52/96/706775296.db2.gz IWVSPKBUIMONIN-GFCCVEGCSA-N 1 0 309.366 1.600 20 5 DDBDRO C[C@]1(C[NH3+])CCN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000818593581 703933884 /nfs/dbraw/zinc/93/38/84/703933884.db2.gz CVMYCILEIZPTSX-OAHLLOKOSA-N 1 0 317.349 1.142 20 5 DDBDRO O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000818603589 703936881 /nfs/dbraw/zinc/93/68/81/703936881.db2.gz FFRSRYWBTUJXTC-IUCAKERBSA-N 1 0 301.705 1.678 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+]C1([C@H]2CCCCO2)CCC1 ZINC000879734038 706775598 /nfs/dbraw/zinc/77/55/98/706775598.db2.gz CUAVPILLJAQAMX-CQSZACIVSA-N 1 0 321.377 1.838 20 5 DDBDRO O=C1OCCN1[C@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000852432207 704044743 /nfs/dbraw/zinc/04/47/43/704044743.db2.gz JANRVEWSTGLAQR-AWEZNQCLSA-N 1 0 305.334 1.664 20 5 DDBDRO CC1(C)CN(CC[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000818992204 704045345 /nfs/dbraw/zinc/04/53/45/704045345.db2.gz OBPKDONXXSBYBN-OAHLLOKOSA-N 1 0 323.393 1.329 20 5 DDBDRO O=C1OCCN1[C@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000852432980 704045609 /nfs/dbraw/zinc/04/56/09/704045609.db2.gz RLOCQGLIALVUOU-ZDUSSCGKSA-N 1 0 321.333 1.500 20 5 DDBDRO C[C@H]([C@H](C)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)N1CCOCC1 ZINC000819019831 704053168 /nfs/dbraw/zinc/05/31/68/704053168.db2.gz CXJCRDNFOZAUAA-ZENOOKHLSA-N 1 0 323.393 1.327 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CCOC[C@H]2CCOC2)cc1 ZINC000819046772 704057732 /nfs/dbraw/zinc/05/77/32/704057732.db2.gz SFVDYCVVYWDLQD-WFASDCNBSA-N 1 0 310.350 1.271 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CCOC[C@H]2CCOC2)cc1 ZINC000819046771 704057936 /nfs/dbraw/zinc/05/79/36/704057936.db2.gz SFVDYCVVYWDLQD-SWLSCSKDSA-N 1 0 310.350 1.271 20 5 DDBDRO CCS(=O)(=O)C[C@@H](C)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819064820 704064199 /nfs/dbraw/zinc/06/41/99/704064199.db2.gz DGSWWXVYICTNOK-MFKMUULPSA-N 1 0 316.379 1.041 20 5 DDBDRO CCOC(=O)C[C@@H](C)C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819193833 704084606 /nfs/dbraw/zinc/08/46/06/704084606.db2.gz LJBRYBFXKXSBKE-BXUZGUMPSA-N 1 0 310.350 1.807 20 5 DDBDRO CCOC(=O)C[C@@H](C)C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819193835 704084624 /nfs/dbraw/zinc/08/46/24/704084624.db2.gz LJBRYBFXKXSBKE-RISCZKNCSA-N 1 0 310.350 1.807 20 5 DDBDRO Cc1nccnc1CC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819334745 704109138 /nfs/dbraw/zinc/10/91/38/704109138.db2.gz KDDBPXAKYHWROR-HNNXBMFYSA-N 1 0 302.334 1.559 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CN(C)CCO1 ZINC000819998987 704200055 /nfs/dbraw/zinc/20/00/55/704200055.db2.gz MCSBNDGSJRIWBQ-CYBMUJFWSA-N 1 0 309.322 1.263 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C)C(C)(C)CC2)n1 ZINC000871156772 704233841 /nfs/dbraw/zinc/23/38/41/704233841.db2.gz MCNJSBOPFOFMGX-UHFFFAOYSA-N 1 0 309.370 1.368 20 5 DDBDRO CN(CC1C[NH+](C)C1)c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000853824954 704321963 /nfs/dbraw/zinc/32/19/63/704321963.db2.gz ACFPUUGNAQFOBY-UHFFFAOYSA-N 1 0 304.350 1.477 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[N@@H+](C2CC2)C[C@@H](C)C1 ZINC000820873753 704340986 /nfs/dbraw/zinc/34/09/86/704340986.db2.gz GUYKLJPLJCJWSS-LLVKDONJSA-N 1 0 321.381 1.042 20 5 DDBDRO CCN(C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CC[N@H+](CC)C1 ZINC000855485764 704487320 /nfs/dbraw/zinc/48/73/20/704487320.db2.gz HDAFOBVEPBZZAU-GJZGRUSLSA-N 1 0 321.377 1.571 20 5 DDBDRO C[NH+](C)[C@H]1CCc2ccccc2N(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000857925200 704643650 /nfs/dbraw/zinc/64/36/50/704643650.db2.gz INEZAMMXRZOKKB-GZBFAFLISA-N 1 0 303.362 1.561 20 5 DDBDRO C[C@@H]([NH3+])CN(C)S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000858643289 704738874 /nfs/dbraw/zinc/73/88/74/704738874.db2.gz XVQHDRVLLOLXEL-SSDOTTSWSA-N 1 0 307.759 1.216 20 5 DDBDRO [NH3+]CCCOCCNC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000859646740 704961137 /nfs/dbraw/zinc/96/11/37/704961137.db2.gz UYFAQORFTYGDKQ-UHFFFAOYSA-N 1 0 316.745 1.735 20 5 DDBDRO C[NH+](C)CCN(Cc1ccccn1)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000823170693 705160885 /nfs/dbraw/zinc/16/08/85/705160885.db2.gz GFTLQEMEAPEMHQ-UHFFFAOYSA-N 1 0 322.409 1.807 20 5 DDBDRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000874822360 705181462 /nfs/dbraw/zinc/18/14/62/705181462.db2.gz ARBBDDZLZGIVMT-KGLIPLIRSA-N 1 0 321.352 1.972 20 5 DDBDRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000874827731 705186159 /nfs/dbraw/zinc/18/61/59/705186159.db2.gz SWYYQWWTDQFOBI-ZNMIVQPWSA-N 1 0 319.361 1.323 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCC[C@@H](n3ccnn3)C2)c1 ZINC000823469099 705249922 /nfs/dbraw/zinc/24/99/22/705249922.db2.gz OQPLJUWJXPHQFP-CABCVRRESA-N 1 0 317.349 1.557 20 5 DDBDRO Nc1ccc(NC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)cc1[N+](=O)[O-] ZINC000823985544 705349712 /nfs/dbraw/zinc/34/97/12/705349712.db2.gz AHSWMHUKXRWEOF-GFCCVEGCSA-N 1 0 317.349 1.655 20 5 DDBDRO CN(C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1C[NH+]2CCC1CC2 ZINC000825835107 705735244 /nfs/dbraw/zinc/73/52/44/705735244.db2.gz BQKFLCBRHGQPDJ-HUUCEWRRSA-N 1 0 319.361 1.181 20 5 DDBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000826646701 705833226 /nfs/dbraw/zinc/83/32/26/705833226.db2.gz DRMGDQRVUIVVHS-IUODEOHRSA-N 1 0 321.377 1.428 20 5 DDBDRO COc1c(C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)cccc1[N+](=O)[O-] ZINC000827264784 705963318 /nfs/dbraw/zinc/96/33/18/705963318.db2.gz DOTUQMFNNVMITF-DGCLKSJQSA-N 1 0 319.361 1.770 20 5 DDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]CCN3CCSCC3)C2)c1 ZINC000877150518 705997712 /nfs/dbraw/zinc/99/77/12/705997712.db2.gz URFYFXFQEIDDSL-UHFFFAOYSA-N 1 0 311.411 1.133 20 5 DDBDRO O=C(CNc1ccccc1[N+](=O)[O-])N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877280363 706046532 /nfs/dbraw/zinc/04/65/32/706046532.db2.gz HAAMCTDGTVWDJP-AAEUAGOBSA-N 1 0 304.350 1.360 20 5 DDBDRO Cc1nn(CCC(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)c(C)c1[N+](=O)[O-] ZINC000877281962 706047247 /nfs/dbraw/zinc/04/72/47/706047247.db2.gz ORSURGGAMQGQOH-STQMWFEESA-N 1 0 321.381 1.151 20 5 DDBDRO O=C(COc1cccc([N+](=O)[O-])c1)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000877395624 706094639 /nfs/dbraw/zinc/09/46/39/706094639.db2.gz LMSNLQGQJMCZRJ-DZGCQCFKSA-N 1 0 305.334 1.374 20 5 DDBDRO O=C(NC12CC[NH+](CC1)C2)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000828009390 706103014 /nfs/dbraw/zinc/10/30/14/706103014.db2.gz FQSHMXAJEULYLK-KBPBESRZSA-N 1 0 301.346 1.663 20 5 DDBDRO COC1([C@H](C)[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CCOCC1 ZINC000877597984 706154585 /nfs/dbraw/zinc/15/45/85/706154585.db2.gz FJHAYQRGLMKNMS-HIFPTAJRSA-N 1 0 324.381 1.669 20 5 DDBDRO CC(C)(C)N1CC[C@@H]1C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877619566 706161622 /nfs/dbraw/zinc/16/16/22/706161622.db2.gz DIOQLAZUPCSQIR-OTTFEQOBSA-N 1 0 307.398 1.957 20 5 DDBDRO Cc1c(CN(CC[NH+](C)C)CC(=O)N(C)C)cccc1[N+](=O)[O-] ZINC000877628253 706164164 /nfs/dbraw/zinc/16/41/64/706164164.db2.gz FFLIQGOJXKQKAH-UHFFFAOYSA-N 1 0 322.409 1.355 20 5 DDBDRO O=[N+]([O-])c1cccc(C[N@H+]2C[C@@H](O)CC3(CCOCC3)C2)c1 ZINC000880588939 707029598 /nfs/dbraw/zinc/02/95/98/707029598.db2.gz IHZLLMMHDCDIJF-HNNXBMFYSA-N 1 0 306.362 1.958 20 5 DDBDRO Cn1c(-c2nc(C3C[C@H]4CC[C@@H](C3)[NH2+]4)no2)ccc1[N+](=O)[O-] ZINC000871793976 707207380 /nfs/dbraw/zinc/20/73/80/707207380.db2.gz KOYXFBPRTGLOQL-PBINXNQUSA-N 1 0 303.322 1.981 20 5 DDBDRO C[N@H+](CCCCNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000837224554 707601709 /nfs/dbraw/zinc/60/17/09/707601709.db2.gz DNHOLORPAXSLGM-OAHLLOKOSA-N 1 0 321.377 1.619 20 5 DDBDRO CN(CCCC[NH+]1CCCCC1)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000882623994 707721306 /nfs/dbraw/zinc/72/13/06/707721306.db2.gz IRRVQMQGWRADEK-UHFFFAOYSA-N 1 0 323.397 1.516 20 5 DDBDRO Cc1c(C[NH2+]CCS(=O)(=O)CC2CC2)cccc1[N+](=O)[O-] ZINC000873080165 707722000 /nfs/dbraw/zinc/72/20/00/707722000.db2.gz KJUMNTAGRLRFOK-UHFFFAOYSA-N 1 0 312.391 1.818 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC1(S(C)(=O)=O)CC1 ZINC000873118512 707737374 /nfs/dbraw/zinc/73/73/74/707737374.db2.gz KEQSVCRHKZNXEN-UHFFFAOYSA-N 1 0 312.391 1.878 20 5 DDBDRO O=[N+]([O-])c1ncccc1N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000882724851 707762128 /nfs/dbraw/zinc/76/21/28/707762128.db2.gz DMRBKUVVGRHFST-ZDUSSCGKSA-N 1 0 306.366 1.727 20 5 DDBDRO Cc1nn(C)c(N2CCC[C@@H]([NH2+]C3CCOCC3)C2)c1[N+](=O)[O-] ZINC000882725140 707762267 /nfs/dbraw/zinc/76/22/67/707762267.db2.gz LCGBJCKVCCUGHL-CYBMUJFWSA-N 1 0 323.397 1.374 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC[C@H]([NH2+]C3CCOCC3)C2)nc1 ZINC000882725445 707762289 /nfs/dbraw/zinc/76/22/89/707762289.db2.gz RWRMOJJDGSHWGC-ZDUSSCGKSA-N 1 0 306.366 1.727 20 5 DDBDRO CCN1CC[C@H]1C[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000883353815 707982936 /nfs/dbraw/zinc/98/29/36/707982936.db2.gz DXMQUAORUMOIJM-WFASDCNBSA-N 1 0 320.393 1.996 20 5 DDBDRO CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1ccccc1 ZINC000839464098 708049509 /nfs/dbraw/zinc/04/95/09/708049509.db2.gz VKQYYTSTCAEOPK-KFWWJZLASA-N 1 0 305.378 1.851 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)c1 ZINC000897221628 708259158 /nfs/dbraw/zinc/25/91/58/708259158.db2.gz NXPCAXCOMKJUPJ-KBPBESRZSA-N 1 0 305.378 1.939 20 5 DDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000897221372 708259544 /nfs/dbraw/zinc/25/95/44/708259544.db2.gz MBDSGDKSQTZXHM-STQMWFEESA-N 1 0 323.397 1.155 20 5 DDBDRO CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+]Cc2cccnc2[N+](=O)[O-])C1 ZINC000886274569 708734377 /nfs/dbraw/zinc/73/43/77/708734377.db2.gz WIQUUUSAVOSUFN-IACUBPJLSA-N 1 0 309.366 1.646 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCC[N@@H+]2CC[C@H](O)C2)c1C ZINC000899155274 709003147 /nfs/dbraw/zinc/00/31/47/709003147.db2.gz YAEPAZOAZIBYOP-LBPRGKRZSA-N 1 0 307.350 1.008 20 5 DDBDRO CCC1([NH+]2CCC2)CCN(C(=O)c2c([N+](=O)[O-])cnn2C)CC1 ZINC000899558793 709112016 /nfs/dbraw/zinc/11/20/16/709112016.db2.gz ZOTSYUXODZDBOH-UHFFFAOYSA-N 1 0 321.381 1.419 20 5 DDBDRO C[N@@H+]1C[C@@H]2CN(C(=O)c3ccc(F)cc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000887930630 709168998 /nfs/dbraw/zinc/16/89/98/709168998.db2.gz QDPPMNXPIXSZRF-BMIGLBTASA-N 1 0 307.325 1.758 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC000887934191 709170552 /nfs/dbraw/zinc/17/05/52/709170552.db2.gz CVSPPEZUOWZFFZ-WBMJQRKESA-N 1 0 303.362 1.927 20 5 DDBDRO O=C(CCn1cc([N+](=O)[O-])cn1)N1CCC([NH2+]C2CCC2)CC1 ZINC000889835940 709652898 /nfs/dbraw/zinc/65/28/98/709652898.db2.gz YMXDURPVDLXHMN-UHFFFAOYSA-N 1 0 321.381 1.315 20 5 DDBDRO Cc1nn(CCC(=O)N2CC[C@@H]([NH+]3CCC3)C2)c(C)c1[N+](=O)[O-] ZINC000912917802 713123672 /nfs/dbraw/zinc/12/36/72/713123672.db2.gz NYLAJTODHGDTRN-CYBMUJFWSA-N 1 0 321.381 1.105 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]([NH+]3CCC3)C2)c1 ZINC000912920020 713124484 /nfs/dbraw/zinc/12/44/84/713124484.db2.gz PJFPTCVSTCCWAL-NSHDSACASA-N 1 0 305.334 1.524 20 5 DDBDRO COc1ccc(CNC(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-] ZINC000891399168 710185264 /nfs/dbraw/zinc/18/52/64/710185264.db2.gz MORNHIRDNQJNSM-TXEJJXNPSA-N 1 0 320.349 1.249 20 5 DDBDRO COc1cc([N+](=O)[O-])cnc1NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000891572208 710238698 /nfs/dbraw/zinc/23/86/98/710238698.db2.gz RLTGVEJXPWKFAX-CYBMUJFWSA-N 1 0 324.381 1.767 20 5 DDBDRO Cn1c2ccccc2c(N2C[C@H]3C[NH2+]C[C@H]3C2)c([N+](=O)[O-])c1=O ZINC000891930042 710330477 /nfs/dbraw/zinc/33/04/77/710330477.db2.gz VANHNRBBDSBVRP-PHIMTYICSA-N 1 0 314.345 1.102 20 5 DDBDRO Cc1ccc(CNC(=O)NC[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000891978581 710344824 /nfs/dbraw/zinc/34/48/24/710344824.db2.gz DJHJAMSTBJHNJV-CYBMUJFWSA-N 1 0 306.366 1.702 20 5 DDBDRO C[N@@H+]1C[C@@]2(C)CN(C(=O)c3c(N)cccc3[N+](=O)[O-])C[C@@]2(C)C1 ZINC000913286078 713191628 /nfs/dbraw/zinc/19/16/28/713191628.db2.gz YRDFMULBILLXLT-IYBDPMFKSA-N 1 0 318.377 1.591 20 5 DDBDRO C[C@H]1[C@@H](NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000928431520 713192699 /nfs/dbraw/zinc/19/26/99/713192699.db2.gz FBEXYQXVJIIWOX-FZMZJTMJSA-N 1 0 319.361 1.767 20 5 DDBDRO C[N@@H+]1CC[C@]2(CCN(c3ccc4nonc4c3[N+](=O)[O-])C2)C1 ZINC000893964399 710903328 /nfs/dbraw/zinc/90/33/28/710903328.db2.gz QMBBZVWBTSATTP-AWEZNQCLSA-N 1 0 303.322 1.663 20 5 DDBDRO O=C(CCc1cc(F)ccc1[N+](=O)[O-])NC[C@H]1CCCC[NH2+]1 ZINC000911714344 710944947 /nfs/dbraw/zinc/94/49/47/710944947.db2.gz PCDTZBMCJKUYDW-CYBMUJFWSA-N 1 0 309.341 1.925 20 5 DDBDRO C[NH2+]C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SC)C1 ZINC000911775108 710978709 /nfs/dbraw/zinc/97/87/09/710978709.db2.gz QTUPZKYIMKNUNE-JTQLQIEISA-N 1 0 309.391 1.998 20 5 DDBDRO C[C@](C[NH3+])(NC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000911803349 711001423 /nfs/dbraw/zinc/00/14/23/711001423.db2.gz QXHLGPWVOCVAOM-IIAWOOMASA-N 1 0 303.362 1.942 20 5 DDBDRO COc1cc([C@@H](C)[NH2+]C[C@H]2CN(C)CCN2C)cc([N+](=O)[O-])c1 ZINC000903091851 711030088 /nfs/dbraw/zinc/03/00/88/711030088.db2.gz BMJJVKYGMXKSJU-DOMZBBRYSA-N 1 0 322.409 1.500 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2cccc3c2NCCC3)c1 ZINC000894343939 711077832 /nfs/dbraw/zinc/07/78/32/711077832.db2.gz JFOMJQPBFNNOMC-UHFFFAOYSA-N 1 0 301.350 1.939 20 5 DDBDRO C[C@@H](C[NH+](C)C)NC(=O)NC[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000894843022 711293728 /nfs/dbraw/zinc/29/37/28/711293728.db2.gz HOQPVFYCVCQXPN-NEPJUHHUSA-N 1 0 308.382 1.948 20 5 DDBDRO COC(=O)c1cnc(N2CCC(C)([NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000894847782 711295289 /nfs/dbraw/zinc/29/52/89/711295289.db2.gz GURNMZUSIQJYNS-UHFFFAOYSA-N 1 0 322.365 1.697 20 5 DDBDRO C[N@@H+]1CCN(c2ncc([N+](=O)[O-])c3ccccc32)C[C@H]1CO ZINC000894880822 711306696 /nfs/dbraw/zinc/30/66/96/711306696.db2.gz GTIDVIWOVZCNSY-NSHDSACASA-N 1 0 302.334 1.256 20 5 DDBDRO C[C@H](NC(=O)C1C[NH+]([C@@H]2CCOC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000895783212 711605224 /nfs/dbraw/zinc/60/52/24/711605224.db2.gz RSRMLXHDIQLSQL-XHDPSFHLSA-N 1 0 319.361 1.493 20 5 DDBDRO C[NH+](C)CC[C@H](Nc1ncc([N+](=O)[O-])cn1)c1cccnc1 ZINC000895890603 711638864 /nfs/dbraw/zinc/63/88/64/711638864.db2.gz BAYWLARQCIZDHZ-ZDUSSCGKSA-N 1 0 302.338 1.885 20 5 DDBDRO Cc1nc(NC[C@@H]2CC[N@@H+]2C2CCOCC2)ccc1[N+](=O)[O-] ZINC000896521179 711737419 /nfs/dbraw/zinc/73/74/19/711737419.db2.gz HQQRYKYSNLDYGH-ZDUSSCGKSA-N 1 0 306.366 1.963 20 5 DDBDRO Nc1c(F)c(NC[C@@H]2CC[N@@H+]2C2CCOCC2)ccc1[N+](=O)[O-] ZINC000896521169 711737458 /nfs/dbraw/zinc/73/74/58/711737458.db2.gz HKUQGGUCPYRLGD-NSHDSACASA-N 1 0 324.356 1.981 20 5 DDBDRO O=C(NC12CC[NH+](CC1)C2)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000913631946 713272754 /nfs/dbraw/zinc/27/27/54/713272754.db2.gz KAHHNTPHPNNQNF-UHFFFAOYSA-N 1 0 300.318 1.654 20 5 DDBDRO C[NH+](C)CCCNC(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC000905050722 711920953 /nfs/dbraw/zinc/92/09/53/711920953.db2.gz OXCSKQIXXVJRSP-UHFFFAOYSA-N 1 0 323.349 1.438 20 5 DDBDRO CO[C@@]1(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CCSC1 ZINC000905546840 712072961 /nfs/dbraw/zinc/07/29/61/712072961.db2.gz PJSKYNNNMQHWTF-UONOGXRCSA-N 1 0 312.391 1.740 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@@H]2CCC=CCCC2)c1 ZINC000905678950 712115990 /nfs/dbraw/zinc/11/59/90/712115990.db2.gz NPTAHICZIFUGCZ-UKRRQHHQSA-N 1 0 308.382 1.878 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2Cc3ccccc3[C@H]2O)c1 ZINC000905705109 712125719 /nfs/dbraw/zinc/12/57/19/712125719.db2.gz CZPKIUWYHCXDOX-BRWVUGGUSA-N 1 0 314.341 1.876 20 5 DDBDRO C[C@@H]1C[NH2+]C[C@H]1Cn1cc(Br)c(=O)c([N+](=O)[O-])c1 ZINC000905730981 712133283 /nfs/dbraw/zinc/13/32/83/712133283.db2.gz AYDYXKFFJVQPOW-SFYZADRCSA-N 1 0 316.155 1.375 20 5 DDBDRO C[C@@H](NC(=O)C1CN(C)CC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000906318149 712296565 /nfs/dbraw/zinc/29/65/65/712296565.db2.gz UVNWDEGJQSJJQY-GFCCVEGCSA-N 1 0 320.393 1.265 20 5 DDBDRO O=C(NCC1CC[NH2+]CC1)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000906626966 712373682 /nfs/dbraw/zinc/37/36/82/712373682.db2.gz IJFMKSZEEBREOP-CABCVRRESA-N 1 0 303.362 1.814 20 5 DDBDRO [NH3+]C[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000906628827 712374096 /nfs/dbraw/zinc/37/40/96/712374096.db2.gz XGXJDPXPTIMCQD-TUKIKUTGSA-N 1 0 303.362 1.896 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@@H]1CC[N@@H+]1C ZINC000914291384 713371522 /nfs/dbraw/zinc/37/15/22/713371522.db2.gz KLOWPDUCTVUHPU-LBPRGKRZSA-N 1 0 308.338 1.107 20 5 DDBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H](O)C1(O)CCCC1 ZINC000930354010 713812507 /nfs/dbraw/zinc/81/25/07/713812507.db2.gz NGXQTUFBEMNYCH-OAHLLOKOSA-N 1 0 308.378 1.735 20 5 DDBDRO CC1(C)CC(=O)NCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000931205461 714035800 /nfs/dbraw/zinc/03/58/00/714035800.db2.gz MXJYCEFGUGGZQG-UHFFFAOYSA-N 1 0 307.350 1.574 20 5 DDBDRO C[N@@H+]1C[C@@]2(C)CN(C[C@@H](O)c3ccc([N+](=O)[O-])cc3)C[C@@]2(C)C1 ZINC000931311823 714062749 /nfs/dbraw/zinc/06/27/49/714062749.db2.gz PPYRQDFKJMZAMU-ZACQAIPSSA-N 1 0 319.405 1.902 20 5 DDBDRO C[N@@H+]1CC[C@@H]2C[NH+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC000931439821 714098490 /nfs/dbraw/zinc/09/84/90/714098490.db2.gz ONZCVWNFGRTWCP-YCPHGPKFSA-N 1 0 305.378 1.512 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000932272427 714297383 /nfs/dbraw/zinc/29/73/83/714297383.db2.gz FVEOZTWLGUDTKB-CYBMUJFWSA-N 1 0 321.381 1.187 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923292963 714299603 /nfs/dbraw/zinc/29/96/03/714299603.db2.gz MACMAESNLNAONX-RDBSUJKOSA-N 1 0 321.377 1.161 20 5 DDBDRO C[C@@H]1[NH2+]CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000923345905 714322091 /nfs/dbraw/zinc/32/20/91/714322091.db2.gz OXICMBNBQWDMNJ-OBJOEFQTSA-N 1 0 309.366 1.017 20 5 DDBDRO Cn1cc(CN2C[C@H](CC[NH3+])c3ccccc32)c([N+](=O)[O-])n1 ZINC000923553608 714399099 /nfs/dbraw/zinc/39/90/99/714399099.db2.gz LNVQOADMBPUUOZ-NSHDSACASA-N 1 0 301.350 1.781 20 5 DDBDRO C[N@@H+]1C[C@@H](O)C[C@H]1CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000924989610 714717972 /nfs/dbraw/zinc/71/79/72/714717972.db2.gz SSJCOIXUVJNSLS-IUCAKERBSA-N 1 0 313.741 1.043 20 5 DDBDRO O=[N+]([O-])c1ccccc1CN1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000934252389 714774738 /nfs/dbraw/zinc/77/47/38/714774738.db2.gz MOODQSACGBAKRJ-HZPDHXFCSA-N 1 0 305.378 1.626 20 5 DDBDRO C[NH+]1CC2(C1)CCN(C(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)C2 ZINC000935665233 715113537 /nfs/dbraw/zinc/11/35/37/715113537.db2.gz AHFWTPCCFAAKEY-GJZGRUSLSA-N 1 0 315.373 1.862 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000935978266 715141235 /nfs/dbraw/zinc/14/12/35/715141235.db2.gz VZNJIIHDOOQQRN-DGCLKSJQSA-N 1 0 321.381 1.185 20 5 DDBDRO C[N@@H+]1CCO[C@H]2CN(c3ncnc4ccc([N+](=O)[O-])cc43)C[C@H]21 ZINC000611712217 719388921 /nfs/dbraw/zinc/38/89/21/719388921.db2.gz XZWBNTJGLXWLND-KGLIPLIRSA-N 1 0 315.333 1.057 20 5 DDBDRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1cc([N+](=O)[O-])ccn1 ZINC001164923253 721849246 /nfs/dbraw/zinc/84/92/46/721849246.db2.gz UNHOKRDCMBXEFW-UONOGXRCSA-N 1 0 305.382 1.204 20 5 DDBDRO O=[N+]([O-])c1cnc(Cl)nc1-n1ccnc1[C@H]1CCC[NH2+]C1 ZINC001167054602 732353173 /nfs/dbraw/zinc/35/31/73/732353173.db2.gz CATORNCZIFHYPM-QMMMGPOBSA-N 1 0 308.729 1.691 20 5 DDBDRO Cc1nc[nH]c1CC(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001149130814 732367764 /nfs/dbraw/zinc/36/77/64/732367764.db2.gz RJSOKGKEZDMRPS-UHFFFAOYSA-N 1 0 323.378 1.136 20 5 DDBDRO CC1(C)CC([NH3+])CC(C)(C)N1c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC001167624924 734847460 /nfs/dbraw/zinc/84/74/60/734847460.db2.gz OJGFHHTUKXDXTI-UHFFFAOYSA-N 1 0 321.381 1.573 20 5 DDBDRO Cc1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC001025775280 736852624 /nfs/dbraw/zinc/85/26/24/736852624.db2.gz KXRVMRSUSZRSJI-LJIZCISZSA-N 1 0 315.373 1.207 20 5 DDBDRO CN(CCN(C)c1ccc([N+](=O)[O-])cc1)C(=O)C[NH+]1CCCC1 ZINC001105405209 740941907 /nfs/dbraw/zinc/94/19/07/740941907.db2.gz RAWFWZUCJKBJIH-UHFFFAOYSA-N 1 0 320.393 1.585 20 5 DDBDRO O=C(NCC[NH2+]Cc1ccc2c(c1)CCC2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126932158 742776650 /nfs/dbraw/zinc/77/66/50/742776650.db2.gz JXTJWFPDRPFIGM-HUUCEWRRSA-N 1 0 303.362 1.046 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCCC[C@@H]1[C@H]1CCCO1 ZINC001198685214 747576908 /nfs/dbraw/zinc/57/69/08/747576908.db2.gz HZUCEWJFBCCKJK-HUUCEWRRSA-N 1 0 321.377 1.790 20 5 DDBDRO CCN(CCNc1nccc(C)c1[N+](=O)[O-])C(=O)CC[NH+](C)C ZINC001106946247 748215171 /nfs/dbraw/zinc/21/51/71/748215171.db2.gz CSVVQLYEXXPSQX-UHFFFAOYSA-N 1 0 323.397 1.510 20 5 DDBDRO Cc1ccc(NC/C=C\CNC(=O)CC[NH+](C)C)c([N+](=O)[O-])c1 ZINC001107489923 750045833 /nfs/dbraw/zinc/04/58/33/750045833.db2.gz MWOVLAHKAVQRCS-PLNGDYQASA-N 1 0 320.393 1.939 20 5 DDBDRO CN(C)c1ccc(-n2cc3c(n2)CC[C@@H]([NH3+])C3)c([N+](=O)[O-])c1 ZINC001168818879 762068592 /nfs/dbraw/zinc/06/85/92/762068592.db2.gz ATUYLRLSMYFMBY-LLVKDONJSA-N 1 0 301.350 1.663 20 5 DDBDRO CCn1c(=O)ccc2c1CC[C@@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001168960164 762155240 /nfs/dbraw/zinc/15/52/40/762155240.db2.gz DJANCSSMDWLNJU-AEGPPILISA-N 1 0 319.405 1.761 20 5 DDBDRO CS(=O)(=O)c1ccc(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1 ZINC001168967328 762158255 /nfs/dbraw/zinc/15/82/55/762158255.db2.gz OQPLDBCIVCXQQH-OLZOCXBDSA-N 1 0 312.391 1.625 20 5 DDBDRO COC(=O)c1c(C)c([N+](=O)[O-])ccc1-n1nc(CC[NH3+])nc1C ZINC001168992321 762165825 /nfs/dbraw/zinc/16/58/25/762165825.db2.gz UTLYUKJIPBFDDJ-UHFFFAOYSA-N 1 0 319.321 1.080 20 5 DDBDRO Cc1cccc(N2CC[NH+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)n1 ZINC001169006707 762174745 /nfs/dbraw/zinc/17/47/45/762174745.db2.gz IZPVCCHTAXJZHB-CABCVRRESA-N 1 0 304.394 1.957 20 5 DDBDRO Cc1nc(CC[NH3+])nn1-c1cc(Cl)ccc1/C=C/[N+](=O)[O-] ZINC001168989371 762181168 /nfs/dbraw/zinc/18/11/68/762181168.db2.gz LETQEIKDGTUPAS-FNORWQNLSA-N 1 0 307.741 1.978 20 5 DDBDRO C[N@H+](C1CN(C(=O)OC(C)(C)C)C1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169038233 762192661 /nfs/dbraw/zinc/19/26/61/762192661.db2.gz XGUXSHACXFZCFQ-NEPJUHHUSA-N 1 0 313.398 1.983 20 5 DDBDRO O=C(NCCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1nccs1 ZINC001169041476 762194795 /nfs/dbraw/zinc/19/47/95/762194795.db2.gz LOYQJWNSYWDTPJ-UHFFFAOYSA-N 1 0 320.374 1.961 20 5 DDBDRO Cc1cncnc1O[C@@H]1CC[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169053207 762208195 /nfs/dbraw/zinc/20/81/95/762208195.db2.gz IEJSUKLVBVTMAX-HZSPNIEDSA-N 1 0 306.366 1.684 20 5 DDBDRO O=C(NCC1=CC[N@H+](CCC(F)(F)F)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001000674993 753877190 /nfs/dbraw/zinc/87/71/90/753877190.db2.gz PTVKBDWNKHPDMV-GHMZBOCLSA-N 1 0 321.299 1.352 20 5 DDBDRO Cc1ccnc(CCNc2ncnc(C3C[NH2+]C3)c2[N+](=O)[O-])c1 ZINC001169315264 762337804 /nfs/dbraw/zinc/33/78/04/762337804.db2.gz KWIDLMOPKHESMX-UHFFFAOYSA-N 1 0 314.349 1.430 20 5 DDBDRO C[NH+](C)C1(C)CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000823653315 758332263 /nfs/dbraw/zinc/33/22/63/758332263.db2.gz KGHJWUSELXFCGF-UHFFFAOYSA-N 1 0 308.382 1.173 20 5 DDBDRO O=C(N[C@H]1C[C@H]([NH2+]CCc2ccccc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001020138916 760612353 /nfs/dbraw/zinc/61/23/53/760612353.db2.gz HYCAIANXMRTFIT-KBUPBQIOSA-N 1 0 303.362 1.131 20 5 DDBDRO O=C(N[C@H]1CC[C@H](C[NH2+]Cc2ccon2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001050325369 763467122 /nfs/dbraw/zinc/46/71/22/763467122.db2.gz AESJJTVQNVVQCU-HBJVGIJOSA-N 1 0 322.365 1.104 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])cc1N[C@@H](C)[C@H]1C[NH2+]CCO1 ZINC001170565694 768164684 /nfs/dbraw/zinc/16/46/84/768164684.db2.gz CXHRTORLTTZMKO-TVQRCGJNSA-N 1 0 309.322 1.170 20 5 DDBDRO Cc1c(N[C@H](C)[C@@H]2C[NH2+]CCO2)ccc([N+](=O)[O-])c1[N+](=O)[O-] ZINC001170565644 768165083 /nfs/dbraw/zinc/16/50/83/768165083.db2.gz CBLFTAPNKHXFAG-SKDRFNHKSA-N 1 0 310.310 1.600 20 5 DDBDRO Cc1cc(Cl)nc(-n2c(C)ncc(C[NH3+])c2=N)c1[N+](=O)[O-] ZINC001156828772 763916047 /nfs/dbraw/zinc/91/60/47/763916047.db2.gz DGOQJPUDJCNMRM-UHFFFAOYSA-N 1 0 308.729 1.384 20 5 DDBDRO COC(=O)c1cc(N[C@H](C)[C@@H]2C[NH2+]CCO2)cc([N+](=O)[O-])c1 ZINC001170568803 768181236 /nfs/dbraw/zinc/18/12/36/768181236.db2.gz HMUPSJRCDAZYLG-RNCFNFMXSA-N 1 0 309.322 1.170 20 5 DDBDRO [NH3+]CCc1ccn(-c2nc(Cl)nc3ccc([N+](=O)[O-])cc32)n1 ZINC001156898289 764049369 /nfs/dbraw/zinc/04/93/69/764049369.db2.gz JSTMTNQTYVTTNU-UHFFFAOYSA-N 1 0 318.724 1.878 20 5 DDBDRO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CN(Cc2ccc(CF)cc2)C1 ZINC001042704883 764373049 /nfs/dbraw/zinc/37/30/49/764373049.db2.gz ADSJPUUHJBZUGQ-HUUCEWRRSA-N 1 0 321.352 1.464 20 5 DDBDRO COc1ccc(C[C@@H](C)[N@@H+]2CC[C@@H](F)[C@H](O)C2)c([N+](=O)[O-])c1 ZINC001170327848 766254104 /nfs/dbraw/zinc/25/41/04/766254104.db2.gz IIKWAZPQSJXIMY-WDBKCZKBSA-N 1 0 312.341 1.939 20 5 DDBDRO Cc1oncc1C[NH+]1CCC(C)(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001045437321 766306660 /nfs/dbraw/zinc/30/66/60/766306660.db2.gz NLCZPNOKTAOAMX-CHWSQXEVSA-N 1 0 322.365 1.119 20 5 DDBDRO [NH3+]C[C@]1(F)CCN(c2nc(Cl)nc(Cl)c2[N+](=O)[O-])C1 ZINC001157813011 766732821 /nfs/dbraw/zinc/73/28/21/766732821.db2.gz NXSBVJHTYPAARL-SECBINFHSA-N 1 0 310.116 1.569 20 5 DDBDRO CC[C@H](C)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2N)CC1 ZINC001158144620 767777241 /nfs/dbraw/zinc/77/72/41/767777241.db2.gz HXJMGLWNAFBRDF-NSHDSACASA-N 1 0 306.366 1.733 20 5 DDBDRO C[NH+](C)CCC(=O)N[C@H]1C[C@H](Nc2ncccc2[N+](=O)[O-])C1 ZINC001097096321 771621544 /nfs/dbraw/zinc/62/15/44/771621544.db2.gz JIEDARBGQMDNON-XYPYZODXSA-N 1 0 307.354 1.001 20 5 DDBDRO O=C(CCn1cccc1)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001135736872 771680997 /nfs/dbraw/zinc/68/09/97/771680997.db2.gz QMHQJOCLKVAUKC-UHFFFAOYSA-N 1 0 316.361 1.692 20 5 DDBDRO CCOC(=O)CN(CC[NH3+])c1ccc2ncccc2c1[N+](=O)[O-] ZINC001170995271 772044050 /nfs/dbraw/zinc/04/40/50/772044050.db2.gz HYOZGMWBCAVTDM-UHFFFAOYSA-N 1 0 318.333 1.471 20 5 DDBDRO Cc1cnoc1C(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001146495223 772878294 /nfs/dbraw/zinc/87/82/94/772878294.db2.gz XBVRDUFGFJECKL-UHFFFAOYSA-N 1 0 310.335 1.472 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])c(NC[C@@H]2CCCC[NH2+]2)cc1OC ZINC001171336184 773582916 /nfs/dbraw/zinc/58/29/16/773582916.db2.gz YNEUFPVVJKQBCB-JTQLQIEISA-N 1 0 323.349 1.944 20 5 DDBDRO COc1ccc([N+](=O)[O-])nc1N1c2ccccc2OC[C@@H]1C[NH3+] ZINC001171398585 774464105 /nfs/dbraw/zinc/46/41/05/774464105.db2.gz AMROZRIIMAQGLW-JTQLQIEISA-N 1 0 316.317 1.856 20 5 DDBDRO CC[NH+](CC)CC(=O)NCCNc1nc(C)ccc1[N+](=O)[O-] ZINC001093646923 774947574 /nfs/dbraw/zinc/94/75/74/774947574.db2.gz RPAAFLVXORPTSK-UHFFFAOYSA-N 1 0 309.370 1.168 20 5 DDBDRO CC[N@H+](C)CCC(=O)NCCNc1ncc(C)cc1[N+](=O)[O-] ZINC001093840338 775123718 /nfs/dbraw/zinc/12/37/18/775123718.db2.gz IKEOWZZFFGIHHQ-UHFFFAOYSA-N 1 0 309.370 1.168 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]CCn1cnnc1)CC2 ZINC001172901147 776915085 /nfs/dbraw/zinc/91/50/85/776915085.db2.gz KAUBGRGHLKJNJM-CQSZACIVSA-N 1 0 301.350 1.724 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+][C@@]1(CO)CCOC1)CC2 ZINC001172906262 776917003 /nfs/dbraw/zinc/91/70/03/776917003.db2.gz NJBVAVYIWWGRLU-GOEBONIOSA-N 1 0 306.362 1.583 20 5 DDBDRO CN(C)C(=O)C[N@H+](C)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172915525 776929976 /nfs/dbraw/zinc/92/99/76/776929976.db2.gz NXVUPSKIAFRQSE-CQSZACIVSA-N 1 0 305.378 1.862 20 5 DDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCOC[C@H]1C[NH+](C)C ZINC001173232743 777063704 /nfs/dbraw/zinc/06/37/04/777063704.db2.gz HMNCWWJMLWJSSH-XJKSGUPXSA-N 1 0 307.394 1.788 20 5 DDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CC2(C1)CCN(C)C2=O ZINC001173237732 777076235 /nfs/dbraw/zinc/07/62/35/777076235.db2.gz LOLNFTNIULQSSI-GFCCVEGCSA-N 1 0 303.362 1.690 20 5 DDBDRO CN(CCNc1ccc([N+](=O)[O-])cc1)C(=O)C[NH+]1CCCC1 ZINC001101633515 777329777 /nfs/dbraw/zinc/32/97/77/777329777.db2.gz WBXVJUHOURMERM-UHFFFAOYSA-N 1 0 306.366 1.561 20 5 DDBDRO CCN(C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)[C@@H]1CC[NH2+]C1 ZINC001119321742 781403033 /nfs/dbraw/zinc/40/30/33/781403033.db2.gz JSMCELDFWTVAIH-CYBMUJFWSA-N 1 0 317.349 1.155 20 5 DDBDRO CCn1cc([C@H](O)CN(CC[N+](=O)[O-])Cc2ccccc2)cn1 ZINC001119767204 781600278 /nfs/dbraw/zinc/60/02/78/781600278.db2.gz QCIJWLLNMSEZPD-MRXNPFEDSA-N 1 0 318.377 1.715 20 5 DDBDRO CC(C)(C)OC(=O)NC[C@H]1CCCC[C@@H]1[NH2+]CC[N+](=O)[O-] ZINC001120354166 781891219 /nfs/dbraw/zinc/89/12/19/781891219.db2.gz CEEBRWBTOBSVOE-NEPJUHHUSA-N 1 0 301.387 1.936 20 5 DDBDRO C[NH+](C)C[C@H]1COCCN1c1ccc2c(cccc2[N+](=O)[O-])n1 ZINC001154968816 861609404 /nfs/dbraw/zinc/60/94/04/861609404.db2.gz QHPQNEUKSSXWCS-LBPRGKRZSA-N 1 0 316.361 1.910 20 5 DDBDRO Cc1ccccc1C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCC1 ZINC001326823182 861633947 /nfs/dbraw/zinc/63/39/47/861633947.db2.gz SPCYZHXUZLLKRZ-HUUCEWRRSA-N 1 0 317.389 1.789 20 5 DDBDRO C[C@H]1C[NH2+]CCC[C@H]1CNc1c(Cl)[n+]([O-])ccc1[N+](=O)[O-] ZINC001155027229 861659440 /nfs/dbraw/zinc/65/94/40/861659440.db2.gz ZYAMSRCQUMAOHA-UWVGGRQHSA-N 1 0 314.773 1.929 20 5 DDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCOCCCO)n1 ZINC000353980024 847947474 /nfs/dbraw/zinc/94/74/74/847947474.db2.gz TVOXKNLNGSWIHE-CHWSQXEVSA-N 1 0 312.370 1.264 20 5 DDBDRO CCOC1(OCC)CC[NH2+]C[C@@H]1Nc1cccc([N+](=O)[O-])n1 ZINC001155227753 861870120 /nfs/dbraw/zinc/87/01/20/861870120.db2.gz RSQPETYCKRMXLC-NSHDSACASA-N 1 0 310.354 1.533 20 5 DDBDRO O=[N+]([O-])c1cc(Cl)cc(NC[C@@H]2OC[C@H]3C[NH2+]CC[C@H]32)n1 ZINC001155522359 862187140 /nfs/dbraw/zinc/18/71/40/862187140.db2.gz GJXBGRDMCFNILP-IEBDPFPHSA-N 1 0 312.757 1.680 20 5 DDBDRO O=[N+]([O-])c1cnc(NC[C@H]2CO[C@]3(C2)CCC[NH2+]C3)c(F)c1 ZINC001155599867 862276939 /nfs/dbraw/zinc/27/69/39/862276939.db2.gz UZZNZSQPRYGWDC-HZMBPMFUSA-N 1 0 310.329 1.700 20 5 DDBDRO O=[N+]([O-])c1cc(N[C@H]2CCO[C@@]3(CC[NH2+]C3)C2)nc2[nH]ccc21 ZINC001155624661 862309643 /nfs/dbraw/zinc/30/96/43/862309643.db2.gz XFDDDUAFBWUUTJ-BONVTDFDSA-N 1 0 317.349 1.794 20 5 DDBDRO O=[N+]([O-])c1c(Cl)ccnc1N(c1ncccn1)C1C[NH2+]C1 ZINC001155862612 862517338 /nfs/dbraw/zinc/51/73/38/862517338.db2.gz RCLJGJXMRLBTOJ-UHFFFAOYSA-N 1 0 306.713 1.543 20 5 DDBDRO CCC(CC)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001072724813 857641951 /nfs/dbraw/zinc/64/19/51/857641951.db2.gz FSIMYNAZFJWJRU-ZIAGYGMSSA-N 1 0 309.410 1.622 20 5 DDBDRO C[C@H](NC(=O)[C@]12C[NH2+]C[C@H]1CCOC2)c1cccc([N+](=O)[O-])c1 ZINC001121918838 858632949 /nfs/dbraw/zinc/63/29/49/858632949.db2.gz QCSKJIOBEIJHJT-GHJWDPDVSA-N 1 0 319.361 1.398 20 5 DDBDRO C[C@@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC[C@@H]1C[NH3+] ZINC001122209999 858714511 /nfs/dbraw/zinc/71/45/11/858714511.db2.gz MNVXSTDVTDEMJN-TZMCWYRMSA-N 1 0 305.378 1.971 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@]3(C2)CCCC[NH2+]3)c1 ZINC001122242126 858723478 /nfs/dbraw/zinc/72/34/78/858723478.db2.gz XIIBLPUBSZRRBF-MRXNPFEDSA-N 1 0 319.361 1.962 20 5 DDBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N[C@]12CCC[C@H]1C[NH2+]C2 ZINC001122350240 858773151 /nfs/dbraw/zinc/77/31/51/858773151.db2.gz SRRJAZZTIFWOLG-HROVJIIKSA-N 1 0 301.346 1.866 20 5 DDBDRO CCN(C(=O)c1ccc(NC)c([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC001122495919 858853165 /nfs/dbraw/zinc/85/31/65/858853165.db2.gz IQKQJFFCJQKFFY-UHFFFAOYSA-N 1 0 306.366 1.851 20 5 DDBDRO COCC1(C(=O)Nc2cc(C)cc([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC001122511477 858859596 /nfs/dbraw/zinc/85/95/96/858859596.db2.gz RIDKOOJZXVUNDY-UHFFFAOYSA-N 1 0 307.350 1.858 20 5 DDBDRO CC(C)(C)OC(=O)N1CC[C@H](OCC[N+](C)(C)C)CC(=O)C1 ZINC001224771463 881526474 /nfs/dbraw/zinc/52/64/74/881526474.db2.gz MUWSLALWCCGHOS-AWEZNQCLSA-N 1 0 315.434 1.678 20 5 DDBDRO COc1cc(C)nc(N2C[C@H]3CCC[N@H+](C)[C@H]3C2)c1[N+](=O)[O-] ZINC001157266354 863694824 /nfs/dbraw/zinc/69/48/24/863694824.db2.gz RBEHOKKRAQEZAW-NEPJUHHUSA-N 1 0 306.366 1.837 20 5 DDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(CC[NH3+])CC1 ZINC001329760316 863834256 /nfs/dbraw/zinc/83/42/56/863834256.db2.gz PWWWFCHHWVWYAZ-UHFFFAOYSA-N 1 0 306.366 1.838 20 5 DDBDRO O=C(NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ncc[nH]1 ZINC001157627979 863988195 /nfs/dbraw/zinc/98/81/95/863988195.db2.gz GKEIGNSPEMCHJK-UHFFFAOYSA-N 1 0 303.322 1.228 20 5 DDBDRO Cc1ccc(NC(=O)C[C@@]2(O)CCC[N@@H+](C)C2)c(N)c1[N+](=O)[O-] ZINC001158231531 864503737 /nfs/dbraw/zinc/50/37/37/864503737.db2.gz IKTDZMVLONNRGD-HNNXBMFYSA-N 1 0 322.365 1.271 20 5 DDBDRO O=[N+]([O-])c1ccc(-c2ccc(N3CC[N@@H+]4CC[C@H]4C3)nn2)cc1 ZINC001158434472 864651668 /nfs/dbraw/zinc/65/16/68/864651668.db2.gz SEEWGLKXFFYOCB-AWEZNQCLSA-N 1 0 311.345 1.946 20 5 DDBDRO COc1ccc(CNC(=O)[C@@H]2CCCC[C@@H]2[NH3+])cc1[N+](=O)[O-] ZINC001331913537 865429046 /nfs/dbraw/zinc/42/90/46/865429046.db2.gz WYFNFDVJKDSSTH-NEPJUHHUSA-N 1 0 307.350 1.737 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC001332110107 865583665 /nfs/dbraw/zinc/58/36/65/865583665.db2.gz FXHQHPJYHKIGRP-SNVBAGLBSA-N 1 0 313.304 1.878 20 5 DDBDRO O=[N+]([O-])c1cnc(NCCO[C@@H]2CCCCO2)nc1C1C[NH2+]C1 ZINC001160925863 866191115 /nfs/dbraw/zinc/19/11/15/866191115.db2.gz DRZSYLLEDZSMFA-GFCCVEGCSA-N 1 0 323.353 1.027 20 5 DDBDRO COC(=O)c1cnc(NCC[C@H]2CCC[N@@H+]2C)c([N+](=O)[O-])c1 ZINC001160965303 866224661 /nfs/dbraw/zinc/22/46/61/866224661.db2.gz WCKUKFPTDFNXFD-LLVKDONJSA-N 1 0 308.338 1.673 20 5 DDBDRO CCc1cc(NC/C=C/C[NH3+])nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001160982861 866247794 /nfs/dbraw/zinc/24/77/94/866247794.db2.gz RYDBMHBLLQCFNS-ONEGZZNKSA-N 1 0 313.361 1.963 20 5 DDBDRO CC(C)[C@H](CO)Nc1ccc([N+](=O)[O-])c(OCC[NH+](C)C)c1 ZINC001161740608 866949698 /nfs/dbraw/zinc/94/96/98/866949698.db2.gz KRQSAMHNEKTRJH-ZDUSSCGKSA-N 1 0 311.382 1.964 20 5 DDBDRO Cn1cncc1C(=O)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001161914060 867093273 /nfs/dbraw/zinc/09/32/73/867093273.db2.gz UKQMSZQPKWCRMQ-UHFFFAOYSA-N 1 0 317.349 1.238 20 5 DDBDRO O=C(NC/C=C/C[NH2+]Cc1ccccc1[N+](=O)[O-])c1cc[nH]c1 ZINC001321069568 867283944 /nfs/dbraw/zinc/28/39/44/867283944.db2.gz ITYZBDNEXNRJON-ONEGZZNKSA-N 1 0 314.345 1.999 20 5 DDBDRO COc1nc(SC)nc(N[C@@H]2CCC[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC001162393477 867509071 /nfs/dbraw/zinc/50/90/71/867509071.db2.gz VWULPYJOJLAQKN-JGVFFNPUSA-N 1 0 313.383 1.797 20 5 DDBDRO C[C@H]1C[NH2+]CCC[C@H]1CNc1ncnc2[nH]cc([N+](=O)[O-])c21 ZINC001162462590 867551942 /nfs/dbraw/zinc/55/19/42/867551942.db2.gz WOFJJHZOXHEMSZ-UWVGGRQHSA-N 1 0 304.354 1.865 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)c1C ZINC001334414893 867553222 /nfs/dbraw/zinc/55/32/22/867553222.db2.gz HROWKMAQGYJQLQ-CYBMUJFWSA-N 1 0 320.393 1.187 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])c(-n2nccc2C[NH3+])cc1OC ZINC001162597541 867669071 /nfs/dbraw/zinc/66/90/71/867669071.db2.gz JGIZNGVNFBXHME-UHFFFAOYSA-N 1 0 306.278 1.034 20 5 DDBDRO C[C@H]1[NH2+]CC[C@H]1Nc1nccc(Br)c1[N+](=O)[O-] ZINC001162675895 867718223 /nfs/dbraw/zinc/71/82/23/867718223.db2.gz GHVQNSSHTSGMNF-HTRCEHHLSA-N 1 0 301.144 1.915 20 5 DDBDRO COC(=O)c1cnc(NC2CC3(C2)CCC[NH2+]C3)c([N+](=O)[O-])c1 ZINC001162981531 867972312 /nfs/dbraw/zinc/97/23/12/867972312.db2.gz KNXSFVHZNZXWFV-UHFFFAOYSA-N 1 0 320.349 1.721 20 5 DDBDRO O=[N+]([O-])c1cnc(NCC[C@@H]2C[NH2+]Cc3cccn3C2)nc1 ZINC001163051143 868037908 /nfs/dbraw/zinc/03/79/08/868037908.db2.gz YZHLFXCECXQTON-LLVKDONJSA-N 1 0 302.338 1.408 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2COCCC23C[NH2+]C3)c1 ZINC001163080512 868065256 /nfs/dbraw/zinc/06/52/56/868065256.db2.gz HAYMFRRZCXRYPQ-ZDUSSCGKSA-N 1 0 321.333 1.172 20 5 DDBDRO COc1cccc(NCC[C@@H]2CCOC23C[NH2+]C3)c1[N+](=O)[O-] ZINC001163088681 868077399 /nfs/dbraw/zinc/07/73/99/868077399.db2.gz GJVQROXCWWDFCW-LLVKDONJSA-N 1 0 307.350 1.784 20 5 DDBDRO CN(C)c1ccc(NCC[C@H]2CCOC23C[NH2+]C3)c([N+](=O)[O-])c1 ZINC001163095940 868089625 /nfs/dbraw/zinc/08/96/25/868089625.db2.gz YXZXUDIERDWSBI-LBPRGKRZSA-N 1 0 320.393 1.841 20 5 DDBDRO C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)c1cccc([N+](=O)[O-])c1N ZINC001322336426 868119444 /nfs/dbraw/zinc/11/94/44/868119444.db2.gz KYWBDCOSVUJELG-NEPJUHHUSA-N 1 0 306.366 1.780 20 5 DDBDRO COc1ccc(NC[C@H]2OC[C@H]3C[NH2+]CC[C@H]32)nc1[N+](=O)[O-] ZINC001163162848 868175035 /nfs/dbraw/zinc/17/50/35/868175035.db2.gz FRNZISWHLKNAAP-CKYFFXLPSA-N 1 0 308.338 1.035 20 5 DDBDRO CC(C)N(c1c([N+](=O)[O-])cc[n+]([O-])c1Cl)C(C)(C)C[NH3+] ZINC001163188064 868197867 /nfs/dbraw/zinc/19/78/67/868197867.db2.gz LXLQEIHKJIKYIJ-UHFFFAOYSA-N 1 0 302.762 1.834 20 5 DDBDRO O=C1C[C@@H]2[NH2+]CC[C@@]2(Nc2ncnc3cc4ccccc4cc32)N1 ZINC001163238456 868245686 /nfs/dbraw/zinc/24/56/86/868245686.db2.gz CJRXWBFCJRHMFO-YJBOKZPZSA-N 1 0 319.368 1.773 20 5 DDBDRO Cc1cncc([N+](=O)[O-])c1N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC001322752717 868362615 /nfs/dbraw/zinc/36/26/15/868362615.db2.gz MPAZNEDSTWUGOB-LBPRGKRZSA-N 1 0 308.382 1.580 20 5 DDBDRO C[NH+](C)[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)C1(C)C ZINC001163572510 868541670 /nfs/dbraw/zinc/54/16/70/868541670.db2.gz WBVHIRAYNUAMCP-QWHCGFSZSA-N 1 0 306.366 1.834 20 5 DDBDRO O=[N+]([O-])c1c2cccnc2ccc1N1CC([NH2+][C@@H]2CCOC2)C1 ZINC001164234775 869043304 /nfs/dbraw/zinc/04/33/04/869043304.db2.gz VIFODLWXKBEMNB-LLVKDONJSA-N 1 0 314.345 1.710 20 5 DDBDRO [NH3+][C@H]1CCN(c2cnc(Oc3ccc([N+](=O)[O-])cc3)nc2)C1 ZINC001164281524 869083145 /nfs/dbraw/zinc/08/31/45/869083145.db2.gz GGIQLQCZFQABHC-JTQLQIEISA-N 1 0 301.306 1.715 20 5 DDBDRO CCO[C@@]1(C)C[C@H]1[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC001336846000 869179985 /nfs/dbraw/zinc/17/99/85/869179985.db2.gz UDYSASWPBVFZHZ-GLQYFDAESA-N 1 0 310.350 1.492 20 5 DDBDRO O=[N+]([O-])c1ccccc1OCCn1cc(C[NH2+]CC2CC2)nn1 ZINC001336890493 869202404 /nfs/dbraw/zinc/20/24/04/869202404.db2.gz IFOYXPIHBICDAX-UHFFFAOYSA-N 1 0 317.349 1.765 20 5 DDBDRO CC1(C)CC(C[NH2+]CC2(CCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)C1 ZINC001164494361 869231993 /nfs/dbraw/zinc/23/19/93/869231993.db2.gz GXCUXXAOJYNEJA-ZIAGYGMSSA-N 1 0 323.437 1.964 20 5 DDBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001336992345 869249633 /nfs/dbraw/zinc/24/96/33/869249633.db2.gz ACVWHWYMLSAIBW-VHDGCEQUSA-N 1 0 318.377 1.672 20 5 DDBDRO C[NH+](C)C1(C)CN(c2nc(Cl)nc(Cl)c2[N+](=O)[O-])C1 ZINC001165118704 869387876 /nfs/dbraw/zinc/38/78/76/869387876.db2.gz YFHFSZVHJHSABS-UHFFFAOYSA-N 1 0 306.153 1.832 20 5 DDBDRO CN(C)/C=C/c1cc(N2CCC(F)(C[NH3+])CC2)ncc1[N+](=O)[O-] ZINC001165264111 869478559 /nfs/dbraw/zinc/47/85/59/869478559.db2.gz RANKMTIIELXCIM-ZZXKWVIFSA-N 1 0 323.372 1.789 20 5 DDBDRO COCc1nn(-c2nc(C)cc(C)c2[N+](=O)[O-])c2c1C[NH2+]C2 ZINC001165633042 869661629 /nfs/dbraw/zinc/66/16/29/869661629.db2.gz MOLRMEFYOISDNG-UHFFFAOYSA-N 1 0 303.322 1.542 20 5 DDBDRO COCCN1CCC[C@@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001338420809 869970960 /nfs/dbraw/zinc/97/09/60/869970960.db2.gz YTECFZKAXANHBP-GDBMZVCRSA-N 1 0 323.393 1.329 20 5 DDBDRO N=c1nc([C@@H]2CCC[NH2+]2)ccn1-c1ncc([N+](=O)[O-])cc1Cl ZINC001166699715 870166635 /nfs/dbraw/zinc/16/66/35/870166635.db2.gz CSSOVFWGKJPLNT-JTQLQIEISA-N 1 0 320.740 1.733 20 5 DDBDRO [NH3+]C[C@H]1CN(c2cc3ccc(Cl)nc3cc2[N+](=O)[O-])CCO1 ZINC001166939610 870400274 /nfs/dbraw/zinc/40/02/74/870400274.db2.gz DLUHJBONXRXJIS-JTQLQIEISA-N 1 0 322.752 1.960 20 5 DDBDRO COC(=O)c1cc(O[C@@H]2CCC[N@H+](C)C2)c(OC)cc1[N+](=O)[O-] ZINC001226441677 882433581 /nfs/dbraw/zinc/43/35/81/882433581.db2.gz TZBHQXRBAFDRKI-SNVBAGLBSA-N 1 0 324.333 1.863 20 5 DDBDRO CN(CC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)C(C)(F)F ZINC001317561080 871075980 /nfs/dbraw/zinc/07/59/80/871075980.db2.gz NIEYSRNDCYKMRM-UHFFFAOYSA-N 1 0 307.322 1.860 20 5 DDBDRO CN(CC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)Cc1cnc[nH]1 ZINC001317633661 871263476 /nfs/dbraw/zinc/26/34/76/871263476.db2.gz GZRQKRGROQHUQD-UHFFFAOYSA-N 1 0 323.378 1.170 20 5 DDBDRO C[C@@H]1C[NH2+]C[C@H]1NC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC001340905017 871419243 /nfs/dbraw/zinc/41/92/43/871419243.db2.gz VPNNMASPGHYMAB-BXUZGUMPSA-N 1 0 306.366 1.511 20 5 DDBDRO COc1c(O)ccc(C[N@@H+]2CCC[C@@H](CC(N)=O)C2)c1[N+](=O)[O-] ZINC001308578351 871514289 /nfs/dbraw/zinc/51/42/89/871514289.db2.gz NREQHTIYHPCCPM-JTQLQIEISA-N 1 0 323.349 1.396 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC001341187699 871548406 /nfs/dbraw/zinc/54/84/06/871548406.db2.gz LBKBINAIFNZIPE-GDBMZVCRSA-N 1 0 319.361 1.865 20 5 DDBDRO CN(C(=O)c1ccc([N+](=O)[O-])cc1F)C1(C[NH3+])CCOCC1 ZINC001342850117 872411077 /nfs/dbraw/zinc/41/10/77/872411077.db2.gz IPMUPBNHTIONHZ-UHFFFAOYSA-N 1 0 311.313 1.314 20 5 DDBDRO O=C(c1ccc2c(n1)C[NH2+]CC2)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001343317059 872578842 /nfs/dbraw/zinc/57/88/42/872578842.db2.gz QRBNMMCUMBDOPC-UHFFFAOYSA-N 1 0 324.340 1.792 20 5 DDBDRO C[C@@H](C[N+](=O)[O-])OC(=O)/C=C/c1ccc(OCC[NH+](C)C)cc1 ZINC001345020018 873226674 /nfs/dbraw/zinc/22/66/74/873226674.db2.gz WAFFFXLEYYNMKZ-PPGNKHEKSA-N 1 0 322.361 1.849 20 5 DDBDRO C[NH+](C)C[C@]1(O)CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC001347175596 874043532 /nfs/dbraw/zinc/04/35/32/874043532.db2.gz QTSWSRVJBLOZKY-CDVVCGDMSA-N 1 0 319.361 1.133 20 5 DDBDRO O=[N+]([O-])c1cnccc1N1CCC([NH2+]C2CCOCC2)CC1 ZINC001348311478 874476024 /nfs/dbraw/zinc/47/60/24/874476024.db2.gz JWHMLMLJZMUWCN-UHFFFAOYSA-N 1 0 306.366 1.727 20 5 DDBDRO CCN(C(=O)CCNc1ccccc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC001353163335 877155164 /nfs/dbraw/zinc/15/51/64/877155164.db2.gz VHQCOCSQHPCAAM-LBPRGKRZSA-N 1 0 306.366 1.607 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC001353174052 877162139 /nfs/dbraw/zinc/16/21/39/877162139.db2.gz HIQGBUQLOMLDKH-OAHLLOKOSA-N 1 0 321.381 1.092 20 5 DDBDRO COC(=O)c1cc(OC)c(O[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC001218281859 877442443 /nfs/dbraw/zinc/44/24/43/877442443.db2.gz LRRPZUUDSQCWRP-VIFPVBQESA-N 1 0 310.306 1.521 20 5 DDBDRO O=c1ccc2[n+]([O-])c3ccc(O[C@@H]4CCC[NH2+]C4)cc3oc-2c1 ZINC001218283535 877444692 /nfs/dbraw/zinc/44/46/92/877444692.db2.gz NQYCEDAHZFIQBZ-CYBMUJFWSA-N 1 0 312.325 1.662 20 5 DDBDRO Cc1ccc(C(=O)N2CCC[C@@H]([NH2+]CCO)C2)cc1[N+](=O)[O-] ZINC001354438008 877983147 /nfs/dbraw/zinc/98/31/47/877983147.db2.gz VQKHCWPQSQIVCW-CYBMUJFWSA-N 1 0 307.350 1.090 20 5 DDBDRO CC[N@@H+]1CC[C@@H](N(C)c2nnc(CCC[N+](=O)[O-])n2C)[C@@H](C)C1 ZINC001355391970 878531709 /nfs/dbraw/zinc/53/17/09/878531709.db2.gz NSEGMRIUYCCROB-QWHCGFSZSA-N 1 0 324.429 1.191 20 5 DDBDRO CC[C@H](C)[NH+]1CCN(c2nnc([C@@H](C)[N+](=O)[O-])n2CC)CC1 ZINC001356351609 879007544 /nfs/dbraw/zinc/00/75/44/879007544.db2.gz NBPRDZSMBHYZFT-NWDGAFQWSA-N 1 0 310.402 1.556 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)CN[C@H]2C[C@@H]([NH+]3CCCC3)C2)c1 ZINC001357244259 879875850 /nfs/dbraw/zinc/87/58/50/879875850.db2.gz YTDHORQIBQHZKZ-IMJJTQAJSA-N 1 0 305.378 1.845 20 5 DDBDRO C[C@@H](CNC(=O)[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1ccccc1[N+](=O)[O-] ZINC001358389114 880417778 /nfs/dbraw/zinc/41/77/78/880417778.db2.gz RICLPVCILKIWTK-CDGCEXEKSA-N 1 0 303.362 1.955 20 5 DDBDRO CCc1ccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)c(C(C)=O)c1 ZINC001228640351 883585830 /nfs/dbraw/zinc/58/58/30/883585830.db2.gz RVRAIMBGYLQOLK-CQSZACIVSA-N 1 0 308.398 1.814 20 5 DDBDRO Cc1cc(OC(=O)C[C@@H](O)C[N+](C)(C)C)n(-c2ccccc2)n1 ZINC001228719576 883640159 /nfs/dbraw/zinc/64/01/59/883640159.db2.gz XBUOMQCIKFODFL-OAHLLOKOSA-N 1 0 318.397 1.543 20 5 DDBDRO COC(=O)c1cc(O[C@H](C)C[N+](C)(C)C)c(F)cc1[N+](=O)[O-] ZINC001229937989 884240848 /nfs/dbraw/zinc/24/08/48/884240848.db2.gz FYPHDZOTMPFIOZ-SECBINFHSA-N 1 0 315.321 1.994 20 5 DDBDRO C[C@@H](C[NH+](C)C)Oc1cc(N2CCOCC2)ccc1[N+](=O)[O-] ZINC001234359056 887903983 /nfs/dbraw/zinc/90/39/83/887903983.db2.gz CFYUHNVLOHIVKE-LBPRGKRZSA-N 1 0 309.366 1.760 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N2CCCC[C@H]2C[NH+](C)C)n1 ZINC001292795972 914008847 /nfs/dbraw/zinc/00/88/47/914008847.db2.gz MOTBYGLTHHWQMD-LBPRGKRZSA-N 1 0 306.366 1.855 20 5 DDBDRO CSCC[C@H]([NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)C(N)=O ZINC001254587776 896517636 /nfs/dbraw/zinc/51/76/36/896517636.db2.gz ZIKSDKMQLLBNGG-AAEUAGOBSA-N 1 0 309.391 1.259 20 5 DDBDRO COC[C@]12COC[C@H]1C[N@@H+]([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254595549 896522870 /nfs/dbraw/zinc/52/28/70/896522870.db2.gz LWNMOLNFIFCDHQ-DJIMGWMZSA-N 1 0 318.373 1.657 20 5 DDBDRO CNC(=O)NC1CC[NH+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254611968 896533950 /nfs/dbraw/zinc/53/39/50/896533950.db2.gz UEIFZJUNIPUFNW-OAHLLOKOSA-N 1 0 318.377 1.455 20 5 DDBDRO C[NH+](C)CCC1CCN(C(=O)c2cnc(N)c([N+](=O)[O-])c2)CC1 ZINC001292966858 914125640 /nfs/dbraw/zinc/12/56/40/914125640.db2.gz SBSBEKHEOYDPOY-UHFFFAOYSA-N 1 0 321.381 1.376 20 5 DDBDRO C[NH2+][C@H](C)CCNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC001261460587 899581835 /nfs/dbraw/zinc/58/18/35/899581835.db2.gz IXRNGPXMRRSEEN-SNVBAGLBSA-N 1 0 302.334 1.871 20 5 DDBDRO O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001261510244 899612145 /nfs/dbraw/zinc/61/21/45/899612145.db2.gz SCMLMINJMVXOKP-CQSZACIVSA-N 1 0 321.352 1.973 20 5 DDBDRO COC(=O)c1ccnc(NC[C@H]2CCCC[N@@H+]2C)c1[N+](=O)[O-] ZINC001262710402 900322990 /nfs/dbraw/zinc/32/29/90/900322990.db2.gz OTGBYDXAIPQOOP-SNVBAGLBSA-N 1 0 308.338 1.673 20 5 DDBDRO C[NH2+]C[C@H](O)[C@@H](C)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001263111103 900504569 /nfs/dbraw/zinc/50/45/69/900504569.db2.gz RTUHXIMZUIZUDK-ABAIWWIYSA-N 1 0 321.377 1.302 20 5 DDBDRO CSCC[C@@H]([NH3+])C(=O)N1CCc2cc(C)c([N+](=O)[O-])cc21 ZINC001263124455 900506214 /nfs/dbraw/zinc/50/62/14/900506214.db2.gz LHONZTOYHDLOCJ-LLVKDONJSA-N 1 0 309.391 1.873 20 5 DDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001263217185 900537733 /nfs/dbraw/zinc/53/77/33/900537733.db2.gz KJQXYRFIJIGFGL-WDEREUQCSA-N 1 0 304.350 1.318 20 5 DDBDRO CCN(C(=O)COc1cccc([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC001263324003 900574985 /nfs/dbraw/zinc/57/49/85/900574985.db2.gz GWCXHYDNAKUWEY-UHFFFAOYSA-N 1 0 307.350 1.574 20 5 DDBDRO O=C(NC[C@H]1CC[C@H](C[NH2+]CCCF)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001279252808 903202824 /nfs/dbraw/zinc/20/28/24/903202824.db2.gz CDQYWUQZUISFHC-AAVRWANBSA-N 1 0 315.389 1.523 20 5 DDBDRO C[NH+](C)CC1(NS(=O)(=O)c2ccccc2[N+](=O)[O-])CCC1 ZINC000281584780 282079611 /nfs/dbraw/zinc/07/96/11/282079611.db2.gz QMNOHNAFBMJWFH-UHFFFAOYSA-N 1 0 313.379 1.357 20 5 DDBDRO Cc1c(C(=O)N[C@H]2CC[NH2+][C@H](C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000278355207 214109618 /nfs/dbraw/zinc/10/96/18/214109618.db2.gz ZVGKJIXAWWBINS-SCZZXKLOSA-N 1 0 322.321 1.682 20 5 DDBDRO C[C@H](CNC(=O)Cn1cc([N+](=O)[O-])cn1)[N@@H+]1CCC[C@@H](C)C1 ZINC000248780739 282108307 /nfs/dbraw/zinc/10/83/07/282108307.db2.gz WKGPRRHWSMEWIA-VXGBXAGGSA-N 1 0 309.370 1.028 20 5 DDBDRO O=[N+]([O-])c1ncn(C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)n1 ZINC000278579114 214251857 /nfs/dbraw/zinc/25/18/57/214251857.db2.gz OMOXBIAOEHRDTD-AWEZNQCLSA-N 1 0 317.349 1.477 20 5 DDBDRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000614712556 361987141 /nfs/dbraw/zinc/98/71/41/361987141.db2.gz ITJVSVNESWQUBF-ZIAGYGMSSA-N 1 0 320.393 1.996 20 5 DDBDRO CCc1n[nH]c(C(=O)NCCCC[N@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000457212058 529467107 /nfs/dbraw/zinc/46/71/07/529467107.db2.gz WVSBJHSHGKGCNL-UHFFFAOYSA-N 1 0 309.370 1.485 20 5 DDBDRO CC[C@@H](CNS(C)(=O)=O)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000295044708 529493949 /nfs/dbraw/zinc/49/39/49/529493949.db2.gz MXQDNDAJEMGLQG-NSHDSACASA-N 1 0 301.368 1.012 20 5 DDBDRO O=C(/C=C\c1cccc([N+](=O)[O-])c1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000255640725 282271633 /nfs/dbraw/zinc/27/16/33/282271633.db2.gz TYDHVVOLCGIPTR-IDTUSYRASA-N 1 0 301.346 1.915 20 5 DDBDRO C[NH+](C)[C@H]1CCCN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000181429418 199295639 /nfs/dbraw/zinc/29/56/39/199295639.db2.gz SRQGFWFKLNRBLA-NSHDSACASA-N 1 0 321.333 1.490 20 5 DDBDRO C[NH+](C)CCCNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000272801101 210201905 /nfs/dbraw/zinc/20/19/05/210201905.db2.gz DVVVRRILWNRKHF-UHFFFAOYSA-N 1 0 307.397 1.423 20 5 DDBDRO C[N@@H+]1CCCN(C(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000097028015 185399033 /nfs/dbraw/zinc/39/90/33/185399033.db2.gz NXAXBCIIFOQDMU-UHFFFAOYSA-N 1 0 306.366 1.561 20 5 DDBDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)Cc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000425050719 529822071 /nfs/dbraw/zinc/82/20/71/529822071.db2.gz RTUJFLLGIORJIH-DZGCQCFKSA-N 1 0 303.362 1.690 20 5 DDBDRO CC[NH+](CC)[C@H](C)CNC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000279387896 214842587 /nfs/dbraw/zinc/84/25/87/214842587.db2.gz GVTKKTUFVUHJGN-CYBMUJFWSA-N 1 0 322.409 1.878 20 5 DDBDRO CC[C@H](C)[N@H+](CCO)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000286722008 219129565 /nfs/dbraw/zinc/12/95/65/219129565.db2.gz BDIBOCNDWIXKTF-LBPRGKRZSA-N 1 0 309.366 1.935 20 5 DDBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1N)C1=CC[N@H+](C)CC1 ZINC000272753446 210156552 /nfs/dbraw/zinc/15/65/52/210156552.db2.gz FDDNCQXIZFDJQL-JTQLQIEISA-N 1 0 304.350 1.557 20 5 DDBDRO COc1ccc(NC(=O)C[N@H+](C)[C@@H]2CCC[C@H]2O)c([N+](=O)[O-])c1 ZINC000286737979 219137562 /nfs/dbraw/zinc/13/75/62/219137562.db2.gz XZCYHPJLRHQGIV-TZMCWYRMSA-N 1 0 323.349 1.387 20 5 DDBDRO Cc1nn(C)c(C(=O)N2CCC(C[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000330711073 232011007 /nfs/dbraw/zinc/01/10/07/232011007.db2.gz XQPLWQLUQFZZKQ-UHFFFAOYSA-N 1 0 309.370 1.051 20 5 DDBDRO C[N@@H+]1CCC[C@H](CCNC(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000458219189 530060980 /nfs/dbraw/zinc/06/09/80/530060980.db2.gz OTLWCQQERAHNFD-LLVKDONJSA-N 1 0 306.366 1.639 20 5 DDBDRO COc1cc(C(=O)NCC[N@@H+]2CC[C@H](C)C2)cc([N+](=O)[O-])c1C ZINC000616359384 362656829 /nfs/dbraw/zinc/65/68/29/362656829.db2.gz OZAAEVTVFLLYAU-NSHDSACASA-N 1 0 321.377 1.983 20 5 DDBDRO Cc1ccc([C@H](C)[NH2+]CCCC(=O)NC(N)=O)cc1[N+](=O)[O-] ZINC000181808947 199355524 /nfs/dbraw/zinc/35/55/24/199355524.db2.gz IUKBBFDEPDNAPL-JTQLQIEISA-N 1 0 308.338 1.529 20 5 DDBDRO C[C@H]1CN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC000237553266 290771359 /nfs/dbraw/zinc/77/13/59/290771359.db2.gz DGSWDIJJHRTDOP-LBPRGKRZSA-N 1 0 318.377 1.629 20 5 DDBDRO C[C@H]([NH2+][C@H]1CCOC[C@H]1C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000277665210 213675637 /nfs/dbraw/zinc/67/56/37/213675637.db2.gz FUBVSCQLJVXXFG-WOPDTQHZSA-N 1 0 307.350 1.936 20 5 DDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]Cc2ccncc2)cc1 ZINC000342344625 282552852 /nfs/dbraw/zinc/55/28/52/282552852.db2.gz OBKCCACHUJSNBQ-UHFFFAOYSA-N 1 0 321.358 1.553 20 5 DDBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3cccc([N+](=O)[O-])c3N)[C@@H]2C1 ZINC000272616694 210017075 /nfs/dbraw/zinc/01/70/75/210017075.db2.gz LHZIWVGJOXKKOY-GXFFZTMASA-N 1 0 304.350 1.343 20 5 DDBDRO O=[N+]([O-])c1cccc(Br)c1CN1CC[NH2+]CC1 ZINC000725263921 539570238 /nfs/dbraw/zinc/57/02/38/539570238.db2.gz VJNQMFANLWTORT-UHFFFAOYSA-N 1 0 300.156 1.763 20 5 DDBDRO C[NH+]1CCC(n2cc(Nc3ccncc3[N+](=O)[O-])cn2)CC1 ZINC000601226102 358455413 /nfs/dbraw/zinc/45/54/13/358455413.db2.gz LALJOWPDAUXJLM-UHFFFAOYSA-N 1 0 302.338 1.619 20 5 DDBDRO C[C@H](C[NH+]1C[C@@H](C)C[C@H](C)C1)NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000138649502 186018359 /nfs/dbraw/zinc/01/83/59/186018359.db2.gz ARJHYFJUWAIJNK-GARJFASQSA-N 1 0 309.370 1.414 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](C(N)=O)C(C)(C)C ZINC000173342871 186178408 /nfs/dbraw/zinc/17/84/08/186178408.db2.gz GLKFXPQJPUGLLK-CYBMUJFWSA-N 1 0 322.365 1.331 20 5 DDBDRO CC(C)C(=O)NC[C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000265994987 186352456 /nfs/dbraw/zinc/35/24/56/186352456.db2.gz JJCVHGREOGODLL-ZDUSSCGKSA-N 1 0 323.397 1.276 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)NCc2ccc([C@@H](C)[NH3+])cc2)n1 ZINC000564835025 304017634 /nfs/dbraw/zinc/01/76/34/304017634.db2.gz CTPKGRIBTQNQMS-SNVBAGLBSA-N 1 0 317.349 1.761 20 5 DDBDRO C[C@H](CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C[NH+](C)C ZINC000294065275 186661072 /nfs/dbraw/zinc/66/10/72/186661072.db2.gz HDRGNUSHOYBQFB-SNVBAGLBSA-N 1 0 323.349 1.294 20 5 DDBDRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000344012463 282759171 /nfs/dbraw/zinc/75/91/71/282759171.db2.gz TVNBXRNCPXCKDZ-CYBMUJFWSA-N 1 0 316.361 1.826 20 5 DDBDRO [NH3+][C@H]1CC[C@H](C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000172818715 198153398 /nfs/dbraw/zinc/15/33/98/198153398.db2.gz IAJPFWCYNBKLKZ-STQMWFEESA-N 1 0 318.377 1.371 20 5 DDBDRO Cc1ccc(NC(=O)C(=O)N[C@@H](C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000068644825 353123949 /nfs/dbraw/zinc/12/39/49/353123949.db2.gz DJKPUZVKTWRGNW-NSHDSACASA-N 1 0 322.365 1.298 20 5 DDBDRO CC[N@H+](C)CCNS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000068960686 353139043 /nfs/dbraw/zinc/13/90/43/353139043.db2.gz NLHVVSSXJWOYNM-UHFFFAOYSA-N 1 0 315.395 1.442 20 5 DDBDRO CC[C@@H]1C(=O)NCCN1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000173778005 198250609 /nfs/dbraw/zinc/25/06/09/198250609.db2.gz QIFZCGMVMVJJLQ-GFCCVEGCSA-N 1 0 323.349 1.193 20 5 DDBDRO O=[N+]([O-])c1ccc(N[C@@H]2CCN(CC[NH+]3CCCCC3)C2)nc1 ZINC000072665274 353208065 /nfs/dbraw/zinc/20/80/65/353208065.db2.gz VYGYICICZNFYQN-CQSZACIVSA-N 1 0 319.409 1.962 20 5 DDBDRO Cc1cc(S(=O)(=O)NCCC[NH+](C)C)c(F)cc1[N+](=O)[O-] ZINC000601283210 358478082 /nfs/dbraw/zinc/47/80/82/358478082.db2.gz ROCMNPIRBCDBRJ-UHFFFAOYSA-N 1 0 319.358 1.272 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H](c2ccccc2)C2CC2)c1 ZINC000174705271 198373481 /nfs/dbraw/zinc/37/34/81/198373481.db2.gz LWZKXONHALUXAX-JKSUJKDBSA-N 1 0 316.361 1.893 20 5 DDBDRO CC[NH+]1CCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000078605336 353523629 /nfs/dbraw/zinc/52/36/29/353523629.db2.gz SPVWELIRUHFOKU-ZDUSSCGKSA-N 1 0 320.393 1.868 20 5 DDBDRO C[NH+](C)[C@H](CNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2)C1CC1 ZINC000091481319 353828356 /nfs/dbraw/zinc/82/83/56/353828356.db2.gz RLOTWKWLBAWVCQ-CYBMUJFWSA-N 1 0 320.349 1.678 20 5 DDBDRO CCn1c(CC[NH3+])nnc1Sc1ncc([N+](=O)[O-])cc1C ZINC000092665034 353866453 /nfs/dbraw/zinc/86/64/53/353866453.db2.gz NYLILWFMMLAYMB-UHFFFAOYSA-N 1 0 308.367 1.562 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000108298464 353949054 /nfs/dbraw/zinc/94/90/54/353949054.db2.gz MEFMCXJHEGMDSU-ZDUSSCGKSA-N 1 0 321.381 1.090 20 5 DDBDRO [NH3+][C@@H]1CCC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000125009758 354043311 /nfs/dbraw/zinc/04/33/11/354043311.db2.gz PRCCCBBQGAKXNO-HTQZYQBOSA-N 1 0 305.381 1.205 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000144000922 354152220 /nfs/dbraw/zinc/15/22/20/354152220.db2.gz SIQUMQIABSPGHP-JTQLQIEISA-N 1 0 305.334 1.570 20 5 DDBDRO CCCN(C(=O)COc1cccc([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000236794323 202010664 /nfs/dbraw/zinc/01/06/64/202010664.db2.gz HVZUBPIYOLIUMZ-UHFFFAOYSA-N 1 0 321.377 1.964 20 5 DDBDRO COc1cc(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000160961517 354241714 /nfs/dbraw/zinc/24/17/14/354241714.db2.gz JAVAQVYFLLLXKO-UWVGGRQHSA-N 1 0 323.349 1.612 20 5 DDBDRO CC(C)[C@@H](CNc1ccc(N)c([N+](=O)[O-])n1)[NH+]1CCN(C)CC1 ZINC000323754319 354541505 /nfs/dbraw/zinc/54/15/05/354541505.db2.gz SPDHTERNMNBJSM-CYBMUJFWSA-N 1 0 322.413 1.256 20 5 DDBDRO COc1cc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000323693261 354541801 /nfs/dbraw/zinc/54/18/01/354541801.db2.gz HDZJPFUNPVQPSZ-LRDDRELGSA-N 1 0 319.361 1.804 20 5 DDBDRO CCOc1cc(NC[C@@H]2C[N@H+](C)CCN2C)ccc1[N+](=O)[O-] ZINC000315929279 354498373 /nfs/dbraw/zinc/49/83/73/354498373.db2.gz XBVVVJCUJJRXFL-CYBMUJFWSA-N 1 0 308.382 1.651 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@@H]2Cc3ccccc32)c1 ZINC000317772827 354512656 /nfs/dbraw/zinc/51/26/56/354512656.db2.gz WFWNJNVZYAADTG-GXTWGEPZSA-N 1 0 302.334 1.082 20 5 DDBDRO CCOc1cc(N2CCO[C@@H]3CC[N@H+](C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000585783576 354841977 /nfs/dbraw/zinc/84/19/77/354841977.db2.gz BDAHJNKVCRXLMR-HUUCEWRRSA-N 1 0 321.377 1.903 20 5 DDBDRO CC[N@@H+]1C[C@@H](C)N(c2cc(N)c([N+](=O)[O-])c(CO)c2)C[C@H]1C ZINC000588009275 354893528 /nfs/dbraw/zinc/89/35/28/354893528.db2.gz DSMJUAXWGLCCQJ-GHMZBOCLSA-N 1 0 308.382 1.588 20 5 DDBDRO Cc1c(C(=O)N[C@H](CO)C[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000588869971 354945259 /nfs/dbraw/zinc/94/52/59/354945259.db2.gz RJRIQKSKXASKPN-LBPRGKRZSA-N 1 0 307.350 1.090 20 5 DDBDRO O=C1CC[C@H]([NH+]2CCN(c3sccc3[N+](=O)[O-])CC2)CCN1 ZINC000590735087 355158175 /nfs/dbraw/zinc/15/81/75/355158175.db2.gz SUODZZHFBPNUMB-NSHDSACASA-N 1 0 324.406 1.447 20 5 DDBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CC[C@@H](O)[C@H](CO)C2)cc1 ZINC000591054808 355238707 /nfs/dbraw/zinc/23/87/07/355238707.db2.gz DNSXFDCRCPXOCS-SWLSCSKDSA-N 1 0 310.350 1.039 20 5 DDBDRO Cc1cc(NC[C@H]2CCCNC2=O)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000591183121 355261986 /nfs/dbraw/zinc/26/19/86/355261986.db2.gz LLBOHTABTWAYJD-LLVKDONJSA-N 1 0 314.345 1.811 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000332614374 235199024 /nfs/dbraw/zinc/19/90/24/235199024.db2.gz GQMCMWUJLJLGAZ-RYUDHWBXSA-N 1 0 304.350 1.976 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000591346279 355293663 /nfs/dbraw/zinc/29/36/63/355293663.db2.gz HKLLZZFANLRHCN-GFCCVEGCSA-N 1 0 322.365 1.545 20 5 DDBDRO [NH3+]C/C=C/CNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000591356408 355297843 /nfs/dbraw/zinc/29/78/43/355297843.db2.gz VQJKQXIGMKLMHU-OWOJBTEDSA-N 1 0 312.757 1.605 20 5 DDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000591360334 355301095 /nfs/dbraw/zinc/30/10/95/355301095.db2.gz LLUKJILIRAEJGA-ZDUSSCGKSA-N 1 0 306.366 1.878 20 5 DDBDRO CCOC(=O)c1cc(N2CC[C@@H]3CC[NH2+][C@H]3C2)ccc1[N+](=O)[O-] ZINC000591439346 355311151 /nfs/dbraw/zinc/31/11/51/355311151.db2.gz SZILRRZTVLYNFV-FZMZJTMJSA-N 1 0 319.361 1.960 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000591439037 355311237 /nfs/dbraw/zinc/31/12/37/355311237.db2.gz QWIFWNMFCVRFID-YPMHNXCESA-N 1 0 319.361 1.878 20 5 DDBDRO O=C(CCN1CC[C@@H]2CC[NH2+][C@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000591448160 355313569 /nfs/dbraw/zinc/31/35/69/355313569.db2.gz FFIKJEOEZQZMKX-JSGCOSHPSA-N 1 0 318.377 1.607 20 5 DDBDRO O=C(CN1CC[C@@H]2CC[NH2+][C@@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000591447846 355313585 /nfs/dbraw/zinc/31/35/85/355313585.db2.gz ANDMASCOSHGAEZ-WCQYABFASA-N 1 0 304.350 1.217 20 5 DDBDRO CO[C@@H]1CCC[C@@H]1C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000591758198 355378938 /nfs/dbraw/zinc/37/89/38/355378938.db2.gz AUHSTLFZHWXLHA-IVMMDQJWSA-N 1 0 324.377 1.739 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H]2C[C@@H]3OCCC[C@H]23)c1 ZINC000591762920 355379668 /nfs/dbraw/zinc/37/96/68/355379668.db2.gz HBLXCEBMNDCVRO-MIGQKNRLSA-N 1 0 322.361 1.492 20 5 DDBDRO O=C(CCOc1ccccc1[N+](=O)[O-])NC[C@@H]1CCCC[NH2+]1 ZINC000591677320 355360299 /nfs/dbraw/zinc/36/02/99/355360299.db2.gz JHHNMUHEBZRFDO-LBPRGKRZSA-N 1 0 307.350 1.622 20 5 DDBDRO COc1cccc(C(=O)N[C@@H]2[C@@H](C)CC[NH2+][C@H]2C)c1[N+](=O)[O-] ZINC000591684123 355361645 /nfs/dbraw/zinc/36/16/45/355361645.db2.gz CZHHOWHAKIXUKS-OUJBWJOFSA-N 1 0 307.350 1.720 20 5 DDBDRO CC1(C)C[NH2+][C@@H]1C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000592144797 355510677 /nfs/dbraw/zinc/51/06/77/355510677.db2.gz IXTKPTLXCYDJJQ-GXFFZTMASA-N 1 0 319.365 1.001 20 5 DDBDRO COc1ccc(CC(=O)N[C@H]2CCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000592330775 355560426 /nfs/dbraw/zinc/56/04/26/355560426.db2.gz DMGFFXQDKLPYPX-RYUDHWBXSA-N 1 0 307.350 1.532 20 5 DDBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)COC1(C)C[NH2+]C1 ZINC000592501398 355603462 /nfs/dbraw/zinc/60/34/62/355603462.db2.gz LGGRYKXCECVBGT-UHFFFAOYSA-N 1 0 321.377 1.710 20 5 DDBDRO C[NH2+]C[C@H]1CCCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000592426825 355579212 /nfs/dbraw/zinc/57/92/12/355579212.db2.gz SUAYUJKPCWSVOR-GFCCVEGCSA-N 1 0 321.377 1.797 20 5 DDBDRO C[C@H]1CN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC[C@H]1[NH3+] ZINC000592427676 355580078 /nfs/dbraw/zinc/58/00/78/355580078.db2.gz PPRAOPDABQAEGX-CMPLNLGQSA-N 1 0 307.350 1.535 20 5 DDBDRO CC[C@@]1(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)CCC[NH2+]1 ZINC000592532917 355618131 /nfs/dbraw/zinc/61/81/31/355618131.db2.gz SWHQIKKQAPXEKL-HNNXBMFYSA-N 1 0 307.350 1.622 20 5 DDBDRO C[C@@]1(C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)CCC[NH2+]C1 ZINC000592563388 355630475 /nfs/dbraw/zinc/63/04/75/355630475.db2.gz WGDKRYXMZJKUFB-OAHLLOKOSA-N 1 0 321.381 1.345 20 5 DDBDRO C[C@@H]1[C@H](C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[N@@H+]1C ZINC000592794062 355693817 /nfs/dbraw/zinc/69/38/17/355693817.db2.gz MIDYFXRDDAUKPO-MWLCHTKSSA-N 1 0 317.349 1.428 20 5 DDBDRO CCC[C@H](C)[C@@H](CO)[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000593050200 355780745 /nfs/dbraw/zinc/78/07/45/355780745.db2.gz CUJBHKRQUCRSGD-GXFFZTMASA-N 1 0 309.366 1.580 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000601327780 358499543 /nfs/dbraw/zinc/49/95/43/358499543.db2.gz XJOOZBRWGAYWCE-AAEUAGOBSA-N 1 0 304.350 1.278 20 5 DDBDRO Cc1ccc(NC(=O)C(=O)NCCC2(C[NH3+])CC2)cc1[N+](=O)[O-] ZINC000593769519 355991611 /nfs/dbraw/zinc/99/16/11/355991611.db2.gz ARFKZKZQKSFBKI-UHFFFAOYSA-N 1 0 320.349 1.087 20 5 DDBDRO [NH3+][C@@H]1CCC[C@H]1CC(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000593907489 356053534 /nfs/dbraw/zinc/05/35/34/356053534.db2.gz QIAQHQLNJXQMQD-GXFFZTMASA-N 1 0 304.350 1.392 20 5 DDBDRO CC(C)(C(=O)NCCC1CC[NH2+]CC1)n1cc([N+](=O)[O-])cn1 ZINC000593918433 356060430 /nfs/dbraw/zinc/06/04/30/356060430.db2.gz DHGVMWPHXCDXOM-UHFFFAOYSA-N 1 0 309.370 1.032 20 5 DDBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000601329868 358500192 /nfs/dbraw/zinc/50/01/92/358500192.db2.gz NSWKKBIJSJHXAT-UTUOFQBUSA-N 1 0 304.350 1.358 20 5 DDBDRO O=[N+]([O-])c1ccc(OCCCN2CC[N@@H+]3C[C@H](O)C[C@H]3C2)cc1 ZINC000594026646 356093171 /nfs/dbraw/zinc/09/31/71/356093171.db2.gz GJQHCXZZGDIRQL-LSDHHAIUSA-N 1 0 321.377 1.115 20 5 DDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000594433122 356211049 /nfs/dbraw/zinc/21/10/49/356211049.db2.gz LZFIKCIOGQQCLG-CZUORRHYSA-N 1 0 303.362 1.643 20 5 DDBDRO Cn1nnc2c1CC[C@@H]([NH2+][C@@H]1CCc3c1cccc3[N+](=O)[O-])C2 ZINC000594510651 356240914 /nfs/dbraw/zinc/24/09/14/356240914.db2.gz AFCBBHJVCRYQJP-ZWNOBZJWSA-N 1 0 313.361 1.858 20 5 DDBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@@]1(OCCO)CCOC1 ZINC000594974927 356367071 /nfs/dbraw/zinc/36/70/71/356367071.db2.gz NZRTYSRVEOZURZ-WMHVBEDNSA-N 1 0 322.361 1.366 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000595221685 356411360 /nfs/dbraw/zinc/41/13/60/356411360.db2.gz CVOHOEIMFQVDDJ-ZDUSSCGKSA-N 1 0 320.393 1.785 20 5 DDBDRO Cc1nn(C)c(C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000177562313 198746284 /nfs/dbraw/zinc/74/62/84/198746284.db2.gz VCXHOQUJMXJPHR-WDEREUQCSA-N 1 0 309.370 1.239 20 5 DDBDRO Cc1noc(CN2CCC[C@H]([NH+]3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000595473633 356507557 /nfs/dbraw/zinc/50/75/57/356507557.db2.gz YMXSCOGSGWTFJE-ZDUSSCGKSA-N 1 0 324.381 1.578 20 5 DDBDRO CCC[N@@H+]1CC[C@H](NC(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000595524096 356533045 /nfs/dbraw/zinc/53/30/45/356533045.db2.gz XMKQZMOYYHEVIY-AWEZNQCLSA-N 1 0 320.393 1.921 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H](CO)C2CCC2)c1 ZINC000595614550 356577763 /nfs/dbraw/zinc/57/77/63/356577763.db2.gz DMGUWLJZUIFNLT-ZDUSSCGKSA-N 1 0 308.334 1.632 20 5 DDBDRO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C[C@@H]1COCCO1 ZINC000595738562 356629286 /nfs/dbraw/zinc/62/92/86/356629286.db2.gz WFNGPFLJBBPIAX-CQSZACIVSA-N 1 0 323.349 1.271 20 5 DDBDRO CC[NH2+]CC1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000237015466 202123788 /nfs/dbraw/zinc/12/37/88/202123788.db2.gz WQMVLKISJONCNI-UHFFFAOYSA-N 1 0 305.378 1.985 20 5 DDBDRO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CC[C@H]4COC[C@@H]4C3)nc2c1 ZINC000595827693 356666833 /nfs/dbraw/zinc/66/68/33/356666833.db2.gz DADYNDDEXCZDIT-QWRGUYRKSA-N 1 0 302.334 1.939 20 5 DDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000595906781 356700981 /nfs/dbraw/zinc/70/09/81/356700981.db2.gz NOHIFHFNPMKXEY-OASPWFOLSA-N 1 0 310.329 1.293 20 5 DDBDRO [NH3+]CC12CC(C1)CN2CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000595911699 356702269 /nfs/dbraw/zinc/70/22/69/356702269.db2.gz VOGJOCIMNRKGRE-UHFFFAOYSA-N 1 0 324.768 1.610 20 5 DDBDRO CN(CC(C)(C)[NH3+])C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000595934583 356710816 /nfs/dbraw/zinc/71/08/16/356710816.db2.gz PBWLRPMBAIWUEC-UHFFFAOYSA-N 1 0 317.349 1.590 20 5 DDBDRO CN(CC1CC[NH+](C)CC1)c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596107799 356774144 /nfs/dbraw/zinc/77/41/44/356774144.db2.gz PBYCHXOCYXDCLZ-UHFFFAOYSA-N 1 0 306.366 1.472 20 5 DDBDRO C[NH+](C)[C@]1(CNc2ccc([N+](=O)[O-])c(C(N)=O)c2)CCSC1 ZINC000596150533 356792024 /nfs/dbraw/zinc/79/20/24/356792024.db2.gz WPQRLWGMGMUCBC-AWEZNQCLSA-N 1 0 324.406 1.543 20 5 DDBDRO CCN(C(=O)NCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@H+](C)C1 ZINC000596188322 356806133 /nfs/dbraw/zinc/80/61/33/356806133.db2.gz WMQDJBMRRGODBO-OAHLLOKOSA-N 1 0 320.393 1.873 20 5 DDBDRO CC[N@@H+]1CCCN(c2nccc(C(N)=O)c2[N+](=O)[O-])[C@H](C)C1 ZINC000596269595 356838841 /nfs/dbraw/zinc/83/88/41/356838841.db2.gz UTFJBNONMWGNSU-SNVBAGLBSA-N 1 0 307.354 1.009 20 5 DDBDRO Cc1cc(OCC(=O)N2CCC3(C[NH+](C)C3)C2)ccc1[N+](=O)[O-] ZINC000597568086 357231462 /nfs/dbraw/zinc/23/14/62/357231462.db2.gz JIOYPFQQUGLLSJ-UHFFFAOYSA-N 1 0 319.361 1.446 20 5 DDBDRO C[NH+](C)CC1CN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000597707239 357294639 /nfs/dbraw/zinc/29/46/39/357294639.db2.gz AVGBFDVHZVTCCK-UHFFFAOYSA-N 1 0 320.393 1.807 20 5 DDBDRO CCCc1n[nH]c(C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)c1[N+](=O)[O-] ZINC000597857361 357360016 /nfs/dbraw/zinc/36/00/16/357360016.db2.gz FIXJGGLNFKHZMK-SNVBAGLBSA-N 1 0 323.397 1.873 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000597859172 357361224 /nfs/dbraw/zinc/36/12/24/357361224.db2.gz ALARUWBUKGAQJY-SNVBAGLBSA-N 1 0 309.370 1.179 20 5 DDBDRO CCN(C(=O)Cc1cccc([N+](=O)[O-])c1C)[C@@H]1CC[N@H+](C)C1 ZINC000597947573 357396285 /nfs/dbraw/zinc/39/62/85/357396285.db2.gz ZBUFXGKJFLTBDE-CQSZACIVSA-N 1 0 305.378 1.998 20 5 DDBDRO O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1c[nH]nc1[N+](=O)[O-] ZINC000598221929 357498290 /nfs/dbraw/zinc/49/82/90/357498290.db2.gz YRASKIRXHNGQOM-SNVBAGLBSA-N 1 0 307.354 1.455 20 5 DDBDRO COc1cc(OCC(=O)N(C)CC2C[NH+](C)C2)ccc1[N+](=O)[O-] ZINC000598162487 357478952 /nfs/dbraw/zinc/47/89/52/357478952.db2.gz ITJFQJPHCXVXMB-UHFFFAOYSA-N 1 0 323.349 1.002 20 5 DDBDRO CN(C(=O)C[N@H+](C)C[C@@H]1CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000178780564 198929772 /nfs/dbraw/zinc/92/97/72/198929772.db2.gz QDFURPBXJMESBZ-LBPRGKRZSA-N 1 0 307.350 1.526 20 5 DDBDRO [NH3+][C@]12CCC[C@@H]1CN(C(=O)c1n[nH]c3ccc([N+](=O)[O-])cc31)C2 ZINC000598668053 357678176 /nfs/dbraw/zinc/67/81/76/357678176.db2.gz OOELQRKTFWLWFA-PSLIRLAXSA-N 1 0 315.333 1.425 20 5 DDBDRO CC(=O)N1CC[C@@H]([NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000598679664 357683537 /nfs/dbraw/zinc/68/35/37/357683537.db2.gz KUVSOBHFGWOELM-HZSPNIEDSA-N 1 0 321.381 1.485 20 5 DDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000598680453 357685001 /nfs/dbraw/zinc/68/50/01/357685001.db2.gz BWNSGVKLMZPVSO-XHBSWPGZSA-N 1 0 318.377 1.735 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCCOCCC[NH3+] ZINC000599605129 357990745 /nfs/dbraw/zinc/99/07/45/357990745.db2.gz SQFXQYYRNCTOQD-UHFFFAOYSA-N 1 0 310.354 1.699 20 5 DDBDRO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000599624510 357997282 /nfs/dbraw/zinc/99/72/82/357997282.db2.gz FOQATVXTUNJZKU-ZUSNOYAUSA-N 1 0 324.377 1.736 20 5 DDBDRO CCN(CC[NH3+])C(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-] ZINC000599916311 358079586 /nfs/dbraw/zinc/07/95/86/358079586.db2.gz FZYZODUMDNKZGR-UHFFFAOYSA-N 1 0 323.397 1.695 20 5 DDBDRO C[N@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)CC1(C)COC1 ZINC000600188293 358149902 /nfs/dbraw/zinc/14/99/02/358149902.db2.gz BYOJVTJMCQFNMR-UHFFFAOYSA-N 1 0 308.334 1.834 20 5 DDBDRO C[N@@H+]1CCCC[C@H](CNC(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000600312437 358191718 /nfs/dbraw/zinc/19/17/18/358191718.db2.gz SFCYNPRZEYVDNE-CYBMUJFWSA-N 1 0 320.393 1.855 20 5 DDBDRO CC(C)NS(=O)(=O)CC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000180477344 199163781 /nfs/dbraw/zinc/16/37/81/199163781.db2.gz JRPJDYDGCUONQZ-NSHDSACASA-N 1 0 315.395 1.573 20 5 DDBDRO C[NH+](C)[C@]1(CNc2ncc(F)cc2[N+](=O)[O-])CCSC1 ZINC000601124001 358411272 /nfs/dbraw/zinc/41/12/72/358411272.db2.gz BFNBMXRZKDWQMO-LBPRGKRZSA-N 1 0 300.359 1.978 20 5 DDBDRO CC[C@@H]1[C@@H](C(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000601139966 358417995 /nfs/dbraw/zinc/41/79/95/358417995.db2.gz OIKCWNKCRSOZNP-LSDHHAIUSA-N 1 0 321.377 1.820 20 5 DDBDRO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1C[C@@H]3COC[C@@H]3C1)OCCO2 ZINC000601977486 358762732 /nfs/dbraw/zinc/76/27/32/358762732.db2.gz UTFBQGXNKGKYEM-TXEJJXNPSA-N 1 0 306.318 1.444 20 5 DDBDRO O=[N+]([O-])c1cc2c(cc1CN1C[C@H]3CC[C@@H](C1)[NH2+]3)OCCO2 ZINC000602024091 358781387 /nfs/dbraw/zinc/78/13/87/358781387.db2.gz ZWPZOGBAIQPOFO-TXEJJXNPSA-N 1 0 305.334 1.302 20 5 DDBDRO O=C(N[C@H]1CC[NH2+]C1)c1c(Br)cccc1[N+](=O)[O-] ZINC000602425871 358968783 /nfs/dbraw/zinc/96/87/83/358968783.db2.gz XFSMTCFHZCGVAA-ZETCQYMHSA-N 1 0 314.139 1.449 20 5 DDBDRO CNC(=O)CC[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602525704 359026169 /nfs/dbraw/zinc/02/61/69/359026169.db2.gz BSOANNZFJLLVBS-UHFFFAOYSA-N 1 0 322.184 1.645 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000602557223 359044397 /nfs/dbraw/zinc/04/43/97/359044397.db2.gz YJCPREGEAXGNTB-QWRGUYRKSA-N 1 0 307.350 1.864 20 5 DDBDRO C[C@@H](CC[S@](C)=O)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602566017 359047068 /nfs/dbraw/zinc/04/70/68/359047068.db2.gz CMKDDEAYMXZFJN-FPVGNUTFSA-N 1 0 311.363 1.983 20 5 DDBDRO [NH3+][C@H](CNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1)C1CC1 ZINC000602481220 359007644 /nfs/dbraw/zinc/00/76/44/359007644.db2.gz BPXRXQOWWMTYMP-CQSZACIVSA-N 1 0 303.362 1.870 20 5 DDBDRO C[C@H]([C@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1)N1CCOCC1 ZINC000602568910 359048536 /nfs/dbraw/zinc/04/85/36/359048536.db2.gz ZGHDKBZGJKCGTF-UONOGXRCSA-N 1 0 307.394 1.836 20 5 DDBDRO C[C@@H]1COCCN1CC[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602592432 359059990 /nfs/dbraw/zinc/05/99/90/359059990.db2.gz FMFJPZDRJLICQE-LLVKDONJSA-N 1 0 320.349 1.546 20 5 DDBDRO C[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C1(CO)CC1 ZINC000602706647 359137566 /nfs/dbraw/zinc/13/75/66/359137566.db2.gz GUDWFYMSOVWXLY-GFCCVEGCSA-N 1 0 320.393 1.709 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCN2CC(F)(F)C[C@H]2C1 ZINC000602847912 359235244 /nfs/dbraw/zinc/23/52/44/359235244.db2.gz LOEHTZZGNVOFRW-NSHDSACASA-N 1 0 315.324 1.125 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC2(C[C@H]1C)CCOCC2 ZINC000602850227 359237821 /nfs/dbraw/zinc/23/78/21/359237821.db2.gz QAMGFEFHNMWXCZ-GFCCVEGCSA-N 1 0 308.382 1.991 20 5 DDBDRO CC[C@@H]1C[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000602823130 359216825 /nfs/dbraw/zinc/21/68/25/359216825.db2.gz YUGJCAGSRPPTMG-HIFRSBDPSA-N 1 0 324.381 1.370 20 5 DDBDRO CS[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N)C[C@@H]1[NH+](C)C ZINC000276421896 212868318 /nfs/dbraw/zinc/86/83/18/212868318.db2.gz XLIJFGYGNFCMGS-QWHCGFSZSA-N 1 0 324.406 1.295 20 5 DDBDRO C[C@@](CO)([NH2+]CCn1ccccc1=O)c1cccc([N+](=O)[O-])c1 ZINC000602961755 359324999 /nfs/dbraw/zinc/32/49/99/359324999.db2.gz CFORGUIVIUAPEQ-INIZCTEOSA-N 1 0 317.345 1.254 20 5 DDBDRO COC(=O)c1ccnc(N[C@@H]2C[C@H]([NH+](C)C)C2(C)C)c1[N+](=O)[O-] ZINC000603408460 359622738 /nfs/dbraw/zinc/62/27/38/359622738.db2.gz XRYZGOMXWWKEEP-MNOVXSKESA-N 1 0 322.365 1.917 20 5 DDBDRO O=[N+]([O-])c1ccc(-c2nnc(CN3C[C@H]4C[NH2+]C[C@@H]4C3)o2)cc1 ZINC000603833329 359685114 /nfs/dbraw/zinc/68/51/14/359685114.db2.gz GNOGOPXUCAZKRS-VXGBXAGGSA-N 1 0 315.333 1.296 20 5 DDBDRO [NH3+][C@H]1CCC[C@H](C(=O)NCCNc2ccccc2[N+](=O)[O-])C1 ZINC000237914116 202389297 /nfs/dbraw/zinc/38/92/97/202389297.db2.gz FENAPUVBPDBVKL-RYUDHWBXSA-N 1 0 306.366 1.640 20 5 DDBDRO COc1cc(C[NH2+][C@H]2CCCN(C)C2)c([N+](=O)[O-])cc1OC ZINC000608782074 360242207 /nfs/dbraw/zinc/24/22/07/360242207.db2.gz SCKUNFSSKSTSMS-LBPRGKRZSA-N 1 0 309.366 1.796 20 5 DDBDRO CC[NH+](CC)C[C@H](C)NC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000609044631 360258010 /nfs/dbraw/zinc/25/80/10/360258010.db2.gz RQDOHLQQLYHDPQ-LBPRGKRZSA-N 1 0 323.393 1.992 20 5 DDBDRO CC[NH+]1CCN([C@H]2CCN(c3ccsc3[N+](=O)[O-])C2)CC1 ZINC000609288432 360288173 /nfs/dbraw/zinc/28/81/73/360288173.db2.gz VLCXAFPNVGXEMP-LBPRGKRZSA-N 1 0 310.423 1.873 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@H]1CCC[C@H]1OC(F)F ZINC000348519904 283540910 /nfs/dbraw/zinc/54/09/10/283540910.db2.gz GPBIHJBUDPGTPY-WDEREUQCSA-N 1 0 317.292 1.506 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(N2CC[NH+](C3CCOCC3)CC2)c1 ZINC000610480100 360445809 /nfs/dbraw/zinc/44/58/09/360445809.db2.gz REBXPJIVBHWOTP-UHFFFAOYSA-N 1 0 321.377 1.904 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[N@H+]2CCc3ccc(O)cc3CC2)n1 ZINC000610485153 360447368 /nfs/dbraw/zinc/44/73/68/360447368.db2.gz GMSBQKNDXLWBTP-UHFFFAOYSA-N 1 0 302.334 1.598 20 5 DDBDRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])s2)CC1 ZINC000610808398 360542435 /nfs/dbraw/zinc/54/24/35/360542435.db2.gz IJRXARYEYXTDMG-LLVKDONJSA-N 1 0 324.406 1.399 20 5 DDBDRO COc1ccc(C[NH2+]C[C@H](C)S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000611084664 360617396 /nfs/dbraw/zinc/61/73/96/360617396.db2.gz IAUONSKYSJCIQW-VIFPVBQESA-N 1 0 302.352 1.126 20 5 DDBDRO CC[N@@H+]1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000611092338 360621930 /nfs/dbraw/zinc/62/19/30/360621930.db2.gz QKKQKMQZEULANC-ZDUSSCGKSA-N 1 0 320.393 1.949 20 5 DDBDRO C[N@@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C[C@@H]1CCOC1 ZINC000611275763 360687074 /nfs/dbraw/zinc/68/70/74/360687074.db2.gz UGIJWDLWKVVTED-NSHDSACASA-N 1 0 308.334 1.834 20 5 DDBDRO CCN(CCC[NH+](C)C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000190855288 200595102 /nfs/dbraw/zinc/59/51/02/200595102.db2.gz PMPJQCMWIASNJF-UHFFFAOYSA-N 1 0 315.395 1.557 20 5 DDBDRO Nc1cc(N2CC[C@H]([NH+]3CCCC3)C2)cc(CO)c1[N+](=O)[O-] ZINC000611525450 360747086 /nfs/dbraw/zinc/74/70/86/360747086.db2.gz CRUHGVLVZDHVMH-LBPRGKRZSA-N 1 0 306.366 1.344 20 5 DDBDRO COc1ccc(C(=O)NCC2=CC[N@H+](C)CC2)cc1[N+](=O)[O-] ZINC000271975043 209352584 /nfs/dbraw/zinc/35/25/84/209352584.db2.gz NKTFNGHPQYPSFY-UHFFFAOYSA-N 1 0 305.334 1.595 20 5 DDBDRO Cc1ccncc1[C@@H](C)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000611939629 360863761 /nfs/dbraw/zinc/86/37/61/360863761.db2.gz SAIPGHGIPLZEJM-YPMHNXCESA-N 1 0 305.338 1.206 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H](CCO)C1 ZINC000612070175 360908958 /nfs/dbraw/zinc/90/89/58/360908958.db2.gz DAYJUXDTKYMMGY-UONOGXRCSA-N 1 0 324.377 1.429 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@H](C(F)F)C1 ZINC000612110345 360923412 /nfs/dbraw/zinc/92/34/12/360923412.db2.gz DLVXILPDBGJFGS-QWRGUYRKSA-N 1 0 316.304 1.922 20 5 DDBDRO Cc1cc([N+](=O)[O-])nn1C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000612605181 361079227 /nfs/dbraw/zinc/07/92/27/361079227.db2.gz IELZJPXQHKJIQA-CQSZACIVSA-N 1 0 304.350 1.593 20 5 DDBDRO C[N@H+]1CC=C(CNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000271886631 209295248 /nfs/dbraw/zinc/29/52/48/209295248.db2.gz CZUUCRAWKLDHCU-UHFFFAOYSA-N 1 0 315.333 1.463 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1NC(C)(C)CC[NH+]1CCN(C)CC1 ZINC000613705074 361526906 /nfs/dbraw/zinc/52/69/06/361526906.db2.gz HNDOHZMSXFEUDR-UHFFFAOYSA-N 1 0 310.402 1.156 20 5 DDBDRO O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000566010614 304110334 /nfs/dbraw/zinc/11/03/34/304110334.db2.gz NYQRZKKUSRPTJE-GXSJLCMTSA-N 1 0 319.317 1.148 20 5 DDBDRO O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000292906895 223302673 /nfs/dbraw/zinc/30/26/73/223302673.db2.gz DVLVIHLFDOZEGU-BEVHLOIGSA-N 1 0 301.346 1.818 20 5 DDBDRO Cn1cc([N+](=O)[O-])c(C(=O)NC2CC([NH+]3CCCCC3)C2)n1 ZINC000619451619 364018444 /nfs/dbraw/zinc/01/84/44/364018444.db2.gz CWLROVFVEVFCDC-UHFFFAOYSA-N 1 0 307.354 1.075 20 5 DDBDRO [NH3+][C@H]1CCc2ncc(NC(=O)c3ccc([N+](=O)[O-])[nH]3)cc2C1 ZINC000348985683 283788990 /nfs/dbraw/zinc/78/89/90/283788990.db2.gz AAWRQHUZQWDGEX-VIFPVBQESA-N 1 0 301.306 1.386 20 5 DDBDRO CCc1ccc(C(=O)N2CC[C@@H](OC)C[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000359217759 299360517 /nfs/dbraw/zinc/36/05/17/299360517.db2.gz OIJJRQQAVBIGTD-ZIAGYGMSSA-N 1 0 321.377 1.736 20 5 DDBDRO O=C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000275181034 212178004 /nfs/dbraw/zinc/17/80/04/212178004.db2.gz ARGFFRXZVYXYSP-TYNCELHUSA-N 1 0 320.345 1.530 20 5 DDBDRO COc1cc(C(=O)NCC[C@@H]2CC[NH2+]C2)c([N+](=O)[O-])cc1OC ZINC000261766799 203113176 /nfs/dbraw/zinc/11/31/76/203113176.db2.gz QIMKJGVUHWRGQY-JTQLQIEISA-N 1 0 323.349 1.341 20 5 DDBDRO COc1ccc(CNC(=O)CC[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000261792574 203118713 /nfs/dbraw/zinc/11/87/13/203118713.db2.gz CUHFZDVBAZGGFU-LLVKDONJSA-N 1 0 307.350 1.609 20 5 DDBDRO COc1cc(C(=O)N2CCCC[C@H]2CC[NH3+])ccc1[N+](=O)[O-] ZINC000261817660 203124447 /nfs/dbraw/zinc/12/44/47/203124447.db2.gz ALFLZYVWFCCTFF-LBPRGKRZSA-N 1 0 307.350 1.947 20 5 DDBDRO C[C@H]1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000261927634 203154159 /nfs/dbraw/zinc/15/41/59/203154159.db2.gz ZOJLNLVZNPHYEI-STQMWFEESA-N 1 0 320.393 1.983 20 5 DDBDRO C[C@H]1[NH2+]CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)[C@H]1C ZINC000262741871 203397537 /nfs/dbraw/zinc/39/75/37/203397537.db2.gz DXTLNTSYLSMOFW-BDAKNGLRSA-N 1 0 303.322 1.294 20 5 DDBDRO CCOCC[N@H+](CC)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000264579252 204009038 /nfs/dbraw/zinc/00/90/38/204009038.db2.gz JFEHPWVBFJPQJM-AWEZNQCLSA-N 1 0 312.366 1.693 20 5 DDBDRO C[N@H+](CCCN1CCOCC1)CCc1cccc([N+](=O)[O-])c1 ZINC000282562568 217091312 /nfs/dbraw/zinc/09/13/12/217091312.db2.gz YPRONROKPNJDEY-UHFFFAOYSA-N 1 0 307.394 1.791 20 5 DDBDRO C[C@]1(CO)CCC[C@@H]1[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000351496147 284344427 /nfs/dbraw/zinc/34/44/27/284344427.db2.gz SFQNDULBYGUKCK-VNQPRFMTSA-N 1 0 324.377 1.475 20 5 DDBDRO Cc1nn(CCC(=O)N2CCC[C@@H]2C[NH+](C)C)c(C)c1[N+](=O)[O-] ZINC000267526712 206124469 /nfs/dbraw/zinc/12/44/69/206124469.db2.gz OJWZHZZQGAQEKC-CYBMUJFWSA-N 1 0 323.397 1.351 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C1CC(F)(F)C1 ZINC000567043449 304194417 /nfs/dbraw/zinc/19/44/17/304194417.db2.gz XFDIPQICPOPHRQ-JTQLQIEISA-N 1 0 302.277 1.722 20 5 DDBDRO COCC(=O)N1CCC([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000336865495 249272441 /nfs/dbraw/zinc/27/24/41/249272441.db2.gz WEMYWYRVOJRABA-UHFFFAOYSA-N 1 0 321.377 1.630 20 5 DDBDRO CC(C)(C)[C@H](O)C[C@H](CO)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000284084905 217876169 /nfs/dbraw/zinc/87/61/69/217876169.db2.gz RGNUAZYRRXVXCJ-GHMZBOCLSA-N 1 0 302.396 1.904 20 5 DDBDRO Cc1ccc(C[N@H+]2CC[C@@H]3OCCN(C)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000284504872 218055105 /nfs/dbraw/zinc/05/51/05/218055105.db2.gz XXKNHUTVJNGTLR-CVEARBPZSA-N 1 0 305.378 1.808 20 5 DDBDRO C[N@H+](CCCNC(=O)c1cc([N+](=O)[O-])n[nH]1)Cc1ccccc1 ZINC000284822039 218193900 /nfs/dbraw/zinc/19/39/00/218193900.db2.gz AKHNIBKSIWSJOE-UHFFFAOYSA-N 1 0 317.349 1.570 20 5 DDBDRO C[C@@H](O)C[N@@H+]1CCN(CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000105824043 194137355 /nfs/dbraw/zinc/13/73/55/194137355.db2.gz VOFRVNBOCMZUAN-UONOGXRCSA-N 1 0 307.394 1.524 20 5 DDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC[C@H]([NH+](C)C)C1 ZINC000109806034 194287637 /nfs/dbraw/zinc/28/76/37/194287637.db2.gz YYQLHLJZNNUQFA-DOMZBBRYSA-N 1 0 320.393 1.948 20 5 DDBDRO C[C@@H]([NH3+])C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000110647989 194345708 /nfs/dbraw/zinc/34/57/08/194345708.db2.gz DPCXGGOILRVTFV-SNVBAGLBSA-N 1 0 313.379 1.343 20 5 DDBDRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)COc3ccc([N+](=O)[O-])c(F)c3)C[C@@H]12 ZINC000273389809 210732414 /nfs/dbraw/zinc/73/24/14/210732414.db2.gz HRQQJXXIHNNSJL-UFGOTCBOSA-N 1 0 323.324 1.308 20 5 DDBDRO COc1cc(C[NH2+]C2CCC(C(N)=O)CC2)c([N+](=O)[O-])cc1O ZINC000340460272 251069110 /nfs/dbraw/zinc/06/91/10/251069110.db2.gz KLHOUEHPRYMVRU-UHFFFAOYSA-N 1 0 323.349 1.443 20 5 DDBDRO COc1cc(C(=O)NC[C@H]2CCC[NH2+]2)cc([N+](=O)[O-])c1OC ZINC000269152256 207279423 /nfs/dbraw/zinc/27/94/23/207279423.db2.gz QHOUMSRZCJUXCQ-SNVBAGLBSA-N 1 0 309.322 1.094 20 5 DDBDRO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCC[N@H+](CC2CCC2)CC1 ZINC000412310016 224008802 /nfs/dbraw/zinc/00/88/02/224008802.db2.gz CXSVWXYNVNPLCD-UHFFFAOYSA-N 1 0 307.354 1.266 20 5 DDBDRO Cc1ccc([C@H](C)NC(=O)C[C@H]2C[NH2+]CCO2)cc1[N+](=O)[O-] ZINC000269250692 207388334 /nfs/dbraw/zinc/38/83/34/207388334.db2.gz SMCWCTQMLHOZCK-AAEUAGOBSA-N 1 0 307.350 1.459 20 5 DDBDRO C[NH2+][C@H](C)CNS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000420424810 533001025 /nfs/dbraw/zinc/00/10/25/533001025.db2.gz IEFYGPFRTYTSPE-SECBINFHSA-N 1 0 301.368 1.098 20 5 DDBDRO Cc1nn(C)c(C(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)c1[N+](=O)[O-] ZINC000119824700 195043703 /nfs/dbraw/zinc/04/37/03/195043703.db2.gz QZMTUWRTODWFRX-GFCCVEGCSA-N 1 0 323.397 1.344 20 5 DDBDRO O=C1NCCCC[C@H]1[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000119973522 195072805 /nfs/dbraw/zinc/07/28/05/195072805.db2.gz KIGOKQIOSAHHMD-WCQYABFASA-N 1 0 319.365 1.145 20 5 DDBDRO Cc1cc(C(=O)Nc2ccn(CC[NH+](C)C)n2)cc([N+](=O)[O-])c1 ZINC000119982577 195074391 /nfs/dbraw/zinc/07/43/91/195074391.db2.gz CBQOZJFTOSUVPP-UHFFFAOYSA-N 1 0 317.349 1.914 20 5 DDBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](CCO)CC1CC1 ZINC000352479102 285080330 /nfs/dbraw/zinc/08/03/30/285080330.db2.gz AOCOHFSSARFWJL-NSHDSACASA-N 1 0 307.350 1.626 20 5 DDBDRO O=[N+]([O-])c1ccc(-c2noc(N3CC[C@H]4[NH2+]CC[C@@H]4C3)n2)cc1 ZINC000420264996 285106899 /nfs/dbraw/zinc/10/68/99/285106899.db2.gz VNOIHXWKDJTVCQ-DGCLKSJQSA-N 1 0 315.333 1.833 20 5 DDBDRO O=[N+]([O-])c1ccc(-c2noc(N3CC[C@@]4(CC[NH2+]C4)C3)n2)cc1 ZINC000420233825 285106977 /nfs/dbraw/zinc/10/69/77/285106977.db2.gz WYYNJVKJQRCWRM-OAHLLOKOSA-N 1 0 315.333 1.835 20 5 DDBDRO CN(C)CC[N@H+](C)CCCN(C)c1ncc([N+](=O)[O-])cc1F ZINC000413303108 224172642 /nfs/dbraw/zinc/17/26/42/224172642.db2.gz PZMCMCAOKRAJOB-UHFFFAOYSA-N 1 0 313.377 1.449 20 5 DDBDRO CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000289670665 221143242 /nfs/dbraw/zinc/14/32/42/221143242.db2.gz RLPXWKXWKTVESU-WFASDCNBSA-N 1 0 320.393 1.757 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3F)[C@H]2C1 ZINC000352802442 285311403 /nfs/dbraw/zinc/31/14/03/285311403.db2.gz DVDCZMFZFCWYNN-ABAIWWIYSA-N 1 0 321.352 1.829 20 5 DDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCC[N@H+](CC)CCO ZINC000289864981 221278070 /nfs/dbraw/zinc/27/80/70/221278070.db2.gz RGCYBEJJEHABRA-UHFFFAOYSA-N 1 0 324.381 1.593 20 5 DDBDRO Cc1nn(C)c(C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)c1[N+](=O)[O-] ZINC000289853347 221269149 /nfs/dbraw/zinc/26/91/49/221269149.db2.gz CJIBAFXAGUNXDW-GFCCVEGCSA-N 1 0 321.381 1.098 20 5 DDBDRO COc1cccc(C(=O)N2CC[C@H](C)[C@H]([NH3+])[C@@H]2C)c1[N+](=O)[O-] ZINC000457364538 533402796 /nfs/dbraw/zinc/40/27/96/533402796.db2.gz QIHSFBBDJSERSC-KWBADKCTSA-N 1 0 307.350 1.801 20 5 DDBDRO C[C@H](NC(=O)N1CCCO[C@H](C[NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC000417146748 533584137 /nfs/dbraw/zinc/58/41/37/533584137.db2.gz YSOPQGHZVBKOAE-SMDDNHRTSA-N 1 0 322.365 1.415 20 5 DDBDRO CO[C@@H]1CC[C@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000569096241 304336531 /nfs/dbraw/zinc/33/65/31/304336531.db2.gz XVRRCNCSOSKTAJ-FPMFFAJLSA-N 1 0 310.350 1.492 20 5 DDBDRO COC(=O)COc1ccc(C[NH2+]C[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000353760807 285912758 /nfs/dbraw/zinc/91/27/58/285912758.db2.gz RDNDWJMDEMUQAU-GFCCVEGCSA-N 1 0 324.333 1.415 20 5 DDBDRO COCC1(CNC(=O)c2c(C)cccc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000261939945 292245099 /nfs/dbraw/zinc/24/50/99/292245099.db2.gz UPCMUIKTECKHRO-UHFFFAOYSA-N 1 0 321.377 1.649 20 5 DDBDRO CCc1nn(C)c(N2CC[C@@H](OCC[NH+](C)C)C2)c1[N+](=O)[O-] ZINC000361042931 299794906 /nfs/dbraw/zinc/79/49/06/299794906.db2.gz CCDHEAOZYROZJO-LLVKDONJSA-N 1 0 311.386 1.048 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(O)CC1 ZINC000026227986 406903004 /nfs/dbraw/zinc/90/30/04/406903004.db2.gz XLCUEADHYMAISU-UHFFFAOYSA-N 1 0 307.350 1.689 20 5 DDBDRO COc1ccc(C(=O)N(C)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000075221616 406926645 /nfs/dbraw/zinc/92/66/45/406926645.db2.gz UWAGXHVNOPOJMN-UHFFFAOYSA-N 1 0 307.350 1.770 20 5 DDBDRO CC[C@H](CO)[NH+]1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000075958215 406946825 /nfs/dbraw/zinc/94/68/25/406946825.db2.gz GPJYUSSPSWXQQN-CQSZACIVSA-N 1 0 323.393 1.362 20 5 DDBDRO COCCN(C)CC[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000084440021 407088887 /nfs/dbraw/zinc/08/88/87/407088887.db2.gz XZPNIKMZQVUAJV-UHFFFAOYSA-N 1 0 301.774 1.916 20 5 DDBDRO CC(C)[N@H+](CCO)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000085862043 407106540 /nfs/dbraw/zinc/10/65/40/407106540.db2.gz ZYCXXGOZBRNREY-UHFFFAOYSA-N 1 0 307.350 1.187 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000046879086 407064897 /nfs/dbraw/zinc/06/48/97/407064897.db2.gz KVLUADCYLKNJKN-NSHDSACASA-N 1 0 306.366 1.760 20 5 DDBDRO CCNC(=O)CC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000047745615 407081006 /nfs/dbraw/zinc/08/10/06/407081006.db2.gz ZRIQLNUQFCGVSO-UHFFFAOYSA-N 1 0 306.366 1.243 20 5 DDBDRO C[C@H]([NH2+]CC(=O)NC1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000180437370 306694832 /nfs/dbraw/zinc/69/48/32/306694832.db2.gz ITSCJXXFNOPRGU-NSHDSACASA-N 1 0 307.350 1.541 20 5 DDBDRO Cc1nn(C)c(C(=O)NCC[N@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000098104768 407305848 /nfs/dbraw/zinc/30/58/48/407305848.db2.gz XPICEYVYJPLXJZ-JTQLQIEISA-N 1 0 309.370 1.098 20 5 DDBDRO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000103283663 407336063 /nfs/dbraw/zinc/33/60/63/407336063.db2.gz ROGFRWFIJNZMQZ-OLZOCXBDSA-N 1 0 321.377 1.950 20 5 DDBDRO Cc1sc(S(=O)(=O)N(C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000124959464 407374565 /nfs/dbraw/zinc/37/45/65/407374565.db2.gz XOZASTDQQXBPJG-UHFFFAOYSA-N 1 0 307.397 1.147 20 5 DDBDRO Cn1cc(C(=O)N[C@H]2CC[NH2+]C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000126298091 407410356 /nfs/dbraw/zinc/41/03/56/407410356.db2.gz FYXCJIZDFQNASC-NSHDSACASA-N 1 0 315.333 1.087 20 5 DDBDRO CCCC[N@H+](C)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000112364040 407427641 /nfs/dbraw/zinc/42/76/41/407427641.db2.gz ZXXBAVYUQPRUJL-UHFFFAOYSA-N 1 0 315.395 1.605 20 5 DDBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000113198165 407474983 /nfs/dbraw/zinc/47/49/83/407474983.db2.gz AZKZIYLUTIGOGI-LBPRGKRZSA-N 1 0 309.370 1.172 20 5 DDBDRO COC(=O)c1cc(NC(=O)[C@]2(C)CC[NH2+]C2)cc([N+](=O)[O-])c1 ZINC000151714020 407483540 /nfs/dbraw/zinc/48/35/40/407483540.db2.gz DAVXYNLDYBRWGP-CQSZACIVSA-N 1 0 307.306 1.320 20 5 DDBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)[NH+]1CCC(C)CC1 ZINC000127662364 407450632 /nfs/dbraw/zinc/45/06/32/407450632.db2.gz IXQWGDPWSYCLJU-LLVKDONJSA-N 1 0 322.365 1.546 20 5 DDBDRO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H]1CCOC1 ZINC000266192278 407534473 /nfs/dbraw/zinc/53/44/73/407534473.db2.gz ZBJITSIISFHXKH-GHMZBOCLSA-N 1 0 308.334 1.976 20 5 DDBDRO C[NH+](C)C[C@@H]1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000114148424 407545014 /nfs/dbraw/zinc/54/50/14/407545014.db2.gz VKIGAZMJLRDQET-LBPRGKRZSA-N 1 0 307.350 1.384 20 5 DDBDRO Cc1c(NC(=O)[C@@H](C)N2CC[C@@](C)(C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000261737542 407596407 /nfs/dbraw/zinc/59/64/07/407596407.db2.gz OWNJBAIEDSUWDC-WBMJQRKESA-N 1 0 320.393 1.901 20 5 DDBDRO COc1ccc(OCC[NH2+]C(C)(C)CC(N)=O)c([N+](=O)[O-])c1 ZINC000186223404 407610995 /nfs/dbraw/zinc/61/09/95/407610995.db2.gz AQPRXNSFGCMWLI-UHFFFAOYSA-N 1 0 311.338 1.226 20 5 DDBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCC[NH+](C)C ZINC000129614431 407620978 /nfs/dbraw/zinc/62/09/78/407620978.db2.gz MIDXNFGOOPPLQI-SECBINFHSA-N 1 0 315.757 1.693 20 5 DDBDRO C[C@H]1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000261895414 407660151 /nfs/dbraw/zinc/66/01/51/407660151.db2.gz VSMWSSXNCSATSU-NWDGAFQWSA-N 1 0 306.366 1.593 20 5 DDBDRO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261724419 407592795 /nfs/dbraw/zinc/59/27/95/407592795.db2.gz QKRSPVBUCMNKNZ-ZJUUUORDSA-N 1 0 309.753 1.930 20 5 DDBDRO C[C@H]1CCCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H]1C[NH3+] ZINC000261915672 407669470 /nfs/dbraw/zinc/66/94/70/407669470.db2.gz GWQGCPYNBDTZJY-IINYFYTJSA-N 1 0 306.366 1.253 20 5 DDBDRO CC(C)[C@H]([NH3+])C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000236729522 407765622 /nfs/dbraw/zinc/76/56/22/407765622.db2.gz RIORSBAWQBHSOE-AWEZNQCLSA-N 1 0 306.366 1.227 20 5 DDBDRO CCOc1ccc([C@@H](C)NC[C@@H](O)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000153667073 407875184 /nfs/dbraw/zinc/87/51/84/407875184.db2.gz SZUHGZYVQCRGRR-DGCLKSJQSA-N 1 0 311.382 1.567 20 5 DDBDRO O=C(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)NCc1cccnc1 ZINC000238039439 407875762 /nfs/dbraw/zinc/87/57/62/407875762.db2.gz LOGBASSVQKAGEH-UHFFFAOYSA-N 1 0 314.345 1.786 20 5 DDBDRO [NH3+]C[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000237863573 407847126 /nfs/dbraw/zinc/84/71/26/407847126.db2.gz OBNMBBYLBSDBNR-QMMMGPOBSA-N 1 0 305.381 1.158 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[NH2+][C@@H](C)[C@H]1C ZINC000262786291 407930408 /nfs/dbraw/zinc/93/04/08/407930408.db2.gz QLKYESDILCDMDK-WDEREUQCSA-N 1 0 313.379 1.274 20 5 DDBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2nn(C)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000272467542 407934731 /nfs/dbraw/zinc/93/47/31/407934731.db2.gz WIABJMJPDXLUSI-QWRGUYRKSA-N 1 0 309.370 1.131 20 5 DDBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+]([C@@H]3CCCC[C@H]3O)C2)nc1 ZINC000245635271 408031553 /nfs/dbraw/zinc/03/15/53/408031553.db2.gz RFPNOBNZBJHLPZ-MRVWCRGKSA-N 1 0 306.366 1.780 20 5 DDBDRO C[C@@H](O)C[N@@H+]1CCN(CCOc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000189553211 408049941 /nfs/dbraw/zinc/04/99/41/408049941.db2.gz CFVYQIUFZHGWTD-UONOGXRCSA-N 1 0 323.393 1.361 20 5 DDBDRO CCOc1ccc(C(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)cc1[N+](=O)[O-] ZINC000262984578 407992929 /nfs/dbraw/zinc/99/29/29/407992929.db2.gz ZDKNLZNUPXIUOP-CMPLNLGQSA-N 1 0 307.350 1.864 20 5 DDBDRO COC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000136636450 408116333 /nfs/dbraw/zinc/11/63/33/408116333.db2.gz ZDQKPOXMCPOTRL-ZWNOBZJWSA-N 1 0 307.350 1.936 20 5 DDBDRO COC[C@H]([NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000136635623 408116398 /nfs/dbraw/zinc/11/63/98/408116398.db2.gz VXHBWNXNDLSSGK-YGRLFVJLSA-N 1 0 307.350 1.936 20 5 DDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1F)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000151012993 408239525 /nfs/dbraw/zinc/23/95/25/408239525.db2.gz OBHTUIMKLSEFMG-AWEZNQCLSA-N 1 0 321.352 1.973 20 5 DDBDRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000155704572 408199213 /nfs/dbraw/zinc/19/92/13/408199213.db2.gz MXHDUIRISZNAAB-DOMZBBRYSA-N 1 0 305.378 1.982 20 5 DDBDRO O=[N+]([O-])c1ccccc1N1CC[NH+](CC2(O)CCOCC2)CC1 ZINC000269418090 408300050 /nfs/dbraw/zinc/30/00/50/408300050.db2.gz YNJLRMFRKDGANL-UHFFFAOYSA-N 1 0 321.377 1.258 20 5 DDBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)C[C@@H]1COc2ccccc2O1 ZINC000176193541 408304136 /nfs/dbraw/zinc/30/41/36/408304136.db2.gz ZDGOETREDMCHHZ-GFCCVEGCSA-N 1 0 318.333 1.563 20 5 DDBDRO CC[C@@H](CO)[NH+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000269525324 408340587 /nfs/dbraw/zinc/34/05/87/408340587.db2.gz RAHBPSSNFRLFMP-AWEZNQCLSA-N 1 0 321.377 1.052 20 5 DDBDRO CC(C)C[NH+]1CCC(NC(=O)c2c([N+](=O)[O-])cnn2C)CC1 ZINC000164478252 162151387 /nfs/dbraw/zinc/15/13/87/162151387.db2.gz FDXLPKLDZGVYPW-UHFFFAOYSA-N 1 0 309.370 1.179 20 5 DDBDRO C[NH+](C)[C@@H]1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000170867471 162197146 /nfs/dbraw/zinc/19/71/46/162197146.db2.gz ICOINSSJNGBAEL-SNVBAGLBSA-N 1 0 303.322 1.247 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000171445861 162219353 /nfs/dbraw/zinc/21/93/53/162219353.db2.gz BISQTLQXYWQXFD-GFCCVEGCSA-N 1 0 304.350 1.609 20 5 DDBDRO CCCN(C(=O)c1ccc(OC)c([N+](=O)[O-])c1)[C@H]1CC[NH2+]C1 ZINC000171504765 162222405 /nfs/dbraw/zinc/22/24/05/162222405.db2.gz RUTIBCVSEIIKMF-LBPRGKRZSA-N 1 0 307.350 1.818 20 5 DDBDRO COc1cc(C(=O)NC[C@H]2CCC[N@H+](C)C2)cc([N+](=O)[O-])c1C ZINC000191482983 408432666 /nfs/dbraw/zinc/43/26/66/408432666.db2.gz BEMCXCLUPRJUKH-GFCCVEGCSA-N 1 0 321.377 1.983 20 5 DDBDRO C[C@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C[C@H]1n1ccnc1 ZINC000247658917 408500717 /nfs/dbraw/zinc/50/07/17/408500717.db2.gz XHRZIOTYENHYSJ-GXTWGEPZSA-N 1 0 304.354 1.571 20 5 DDBDRO O=C(NCC1CC[NH+](CCO)CC1)c1cccc([N+](=O)[O-])c1 ZINC000160696463 408515770 /nfs/dbraw/zinc/51/57/70/408515770.db2.gz TXXUQJREOGVZAD-UHFFFAOYSA-N 1 0 307.350 1.029 20 5 DDBDRO NC(=O)C1([NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])CCCCC1 ZINC000177122690 408524081 /nfs/dbraw/zinc/52/40/81/408524081.db2.gz PRFWDHBNCKWYOA-UHFFFAOYSA-N 1 0 320.349 1.311 20 5 DDBDRO CCOC[C@@H]1CC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000248450130 408568953 /nfs/dbraw/zinc/56/89/53/408568953.db2.gz ILUOZQZLESQXEL-ZIAGYGMSSA-N 1 0 324.377 1.693 20 5 DDBDRO C[C@H]1CSCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248462588 408573768 /nfs/dbraw/zinc/57/37/68/408573768.db2.gz PZPFXNFINAYNEN-NWDGAFQWSA-N 1 0 312.391 1.772 20 5 DDBDRO COCC[C@](C)(O)C[NH2+]Cc1cc(OC)c(O)cc1[N+](=O)[O-] ZINC000265221546 408584415 /nfs/dbraw/zinc/58/44/15/408584415.db2.gz HCMQGAOCWNWYFM-AWEZNQCLSA-N 1 0 314.338 1.186 20 5 DDBDRO CC(C)C[N@@H+]1CCC[C@H](CNc2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000161317604 408586623 /nfs/dbraw/zinc/58/66/23/408586623.db2.gz OFPVHTSTMMLHCK-LLVKDONJSA-N 1 0 308.386 1.747 20 5 DDBDRO C[C@@H](c1ccccn1)[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000270680758 408634325 /nfs/dbraw/zinc/63/43/25/408634325.db2.gz URCSPOHINMCOLU-AAEUAGOBSA-N 1 0 305.338 1.240 20 5 DDBDRO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)[NH+](C)C ZINC000270754986 408668463 /nfs/dbraw/zinc/66/84/63/408668463.db2.gz BLQLBDIPLIMJJU-JTQLQIEISA-N 1 0 302.334 1.823 20 5 DDBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000270859337 408711377 /nfs/dbraw/zinc/71/13/77/408711377.db2.gz ZOOOJOXTTRFXPD-LLVKDONJSA-N 1 0 309.370 1.323 20 5 DDBDRO C[C@H]1CC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@H]1CO ZINC000248997303 408675595 /nfs/dbraw/zinc/67/55/95/408675595.db2.gz YCBSFIUNHOCDRG-NHYWBVRUSA-N 1 0 319.361 1.187 20 5 DDBDRO CN(CC[N@H+](C)C1CC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000185227214 408782475 /nfs/dbraw/zinc/78/24/75/408782475.db2.gz GQPWGAHSFFGNNV-UHFFFAOYSA-N 1 0 313.379 1.310 20 5 DDBDRO C[C@@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000178207298 408786859 /nfs/dbraw/zinc/78/68/59/408786859.db2.gz FGMBNLOYUKQBJJ-LLVKDONJSA-N 1 0 307.350 1.938 20 5 DDBDRO CC[C@H]1CN(c2nc(C)ccc2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000178213390 408788725 /nfs/dbraw/zinc/78/87/25/408788725.db2.gz RFGNERWACTXVDD-ZDUSSCGKSA-N 1 0 308.382 1.845 20 5 DDBDRO C[C@@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@H]1C[NH3+] ZINC000252119182 408792775 /nfs/dbraw/zinc/79/27/75/408792775.db2.gz JBBCRFAJZKKPPQ-MFKMUULPSA-N 1 0 313.379 1.343 20 5 DDBDRO Cc1n[nH]c(C(=O)N2CCC[N@@H+](C3CCCC3)CC2)c1[N+](=O)[O-] ZINC000265743478 408766711 /nfs/dbraw/zinc/76/67/11/408766711.db2.gz VKEHSNBRJJWIMK-UHFFFAOYSA-N 1 0 321.381 1.717 20 5 DDBDRO CN(CC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1)c1ccccc1[N+](=O)[O-] ZINC000185175515 408775164 /nfs/dbraw/zinc/77/51/64/408775164.db2.gz LVEHTOYLEDQQOZ-XQQFMLRXSA-N 1 0 318.377 1.227 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N(C)CC[NH+](C)C)c1 ZINC000281587237 408891936 /nfs/dbraw/zinc/89/19/36/408891936.db2.gz NIBDCEDFNHMAEQ-UHFFFAOYSA-N 1 0 309.366 1.692 20 5 DDBDRO CCN(CCC[NH+](C)C)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000192941963 163242230 /nfs/dbraw/zinc/24/22/30/163242230.db2.gz MQGUFMDJGYWVLC-UHFFFAOYSA-N 1 0 321.424 1.619 20 5 DDBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000194707721 163294284 /nfs/dbraw/zinc/29/42/84/163294284.db2.gz SWJZDQUOEWHQFA-SNVBAGLBSA-N 1 0 303.322 1.295 20 5 DDBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)C[C@@H](O)Cc1ccccc1 ZINC000293143686 409057628 /nfs/dbraw/zinc/05/76/28/409057628.db2.gz BFNMQSCVKOOZNC-AWEZNQCLSA-N 1 0 304.350 1.327 20 5 DDBDRO CCNC(=O)[C@@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)C(C)C ZINC000293238151 409074146 /nfs/dbraw/zinc/07/41/46/409074146.db2.gz LDAMVHDTRFXIFX-AWEZNQCLSA-N 1 0 309.366 1.724 20 5 DDBDRO CC[N@H+](CCNc1nc(C(=O)OC)ccc1[N+](=O)[O-])C1CC1 ZINC000287693595 409078009 /nfs/dbraw/zinc/07/80/09/409078009.db2.gz DSSRWQHDYVXWAK-UHFFFAOYSA-N 1 0 308.338 1.673 20 5 DDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000293315077 409087510 /nfs/dbraw/zinc/08/75/10/409087510.db2.gz FQJOTUBRKVGDKM-FRRDWIJNSA-N 1 0 320.393 1.946 20 5 DDBDRO CO[C@]1(C)CCC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000279391112 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DDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000408028976 164202586 /nfs/dbraw/zinc/20/25/86/164202586.db2.gz VMODWNOVYOAALR-NWDGAFQWSA-N 1 0 309.370 1.029 20 5 DDBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@@H]2COC[C@H]2O)o1 ZINC000295461587 409492706 /nfs/dbraw/zinc/49/27/06/409492706.db2.gz FODNIEZBHRZHSJ-TZMCWYRMSA-N 1 0 304.302 1.704 20 5 DDBDRO C[C@@H]1CS(=O)(=O)C[C@H]1[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000342431180 409624592 /nfs/dbraw/zinc/62/45/92/409624592.db2.gz RJVICLHKDOJXOI-CBHWHFHUSA-N 1 0 310.375 1.631 20 5 DDBDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000356903498 409708409 /nfs/dbraw/zinc/70/84/09/409708409.db2.gz PRLJFEMSRQTCBL-VXGBXAGGSA-N 1 0 306.366 1.558 20 5 DDBDRO C[C@@H]1[C@H](C)N(C(=O)COc2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000356835250 409645255 /nfs/dbraw/zinc/64/52/55/409645255.db2.gz BLKAMKFRESEIQY-NEPJUHHUSA-N 1 0 307.350 1.525 20 5 DDBDRO C[C@@H](NC(=O)[C@H]1C[N@@H+]2CCN1CCC2)c1ccccc1[N+](=O)[O-] 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CC(C)[NH+]1CCC(Nc2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000298277175 410161678 /nfs/dbraw/zinc/16/16/78/410161678.db2.gz DHQUYBHDIXYZGU-UHFFFAOYSA-N 1 0 307.354 1.373 20 5 DDBDRO COc1c(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)cccc1[N+](=O)[O-] ZINC000332671545 410203945 /nfs/dbraw/zinc/20/39/45/410203945.db2.gz ZQYJLPVWNKONAF-NEPJUHHUSA-N 1 0 319.361 1.912 20 5 DDBDRO O=C(Cc1ccccc1[N+](=O)[O-])NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000298471481 410246708 /nfs/dbraw/zinc/24/67/08/410246708.db2.gz QOAJQMFIRLYHBB-LBPRGKRZSA-N 1 0 303.362 1.738 20 5 DDBDRO COC(=O)COc1ccc(C[N@H+](C)C2CC(O)C2)cc1[N+](=O)[O-] ZINC000354980668 410221681 /nfs/dbraw/zinc/22/16/81/410221681.db2.gz MNZCOAMXQSTKQH-UHFFFAOYSA-N 1 0 324.333 1.102 20 5 DDBDRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)c1c([N+](=O)[O-])cnn1C ZINC000347231570 410403745 /nfs/dbraw/zinc/40/37/45/410403745.db2.gz ROYRXYWWWGKZLH-QWRGUYRKSA-N 1 0 309.370 1.321 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@](C)(O)CC[NH+](C)C ZINC000352125471 410499571 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DRLRJNJBLXXMQG-CMPLNLGQSA-N 1 0 300.380 1.676 20 5 DDBDRO [NH3+]C[C@@H]1CCCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000580647078 422945809 /nfs/dbraw/zinc/94/58/09/422945809.db2.gz YEYZXQJXZIXRFM-NSHDSACASA-N 1 0 317.349 1.816 20 5 DDBDRO COc1c(N)ncnc1N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000580660063 422947196 /nfs/dbraw/zinc/94/71/96/422947196.db2.gz XFETYPWSLWFQQX-UHFFFAOYSA-N 1 0 301.306 1.538 20 5 DDBDRO Cc1ccc(NC(=O)C(=O)N[C@H]2CCC[NH2+][C@H]2C)cc1[N+](=O)[O-] ZINC000415678230 224696597 /nfs/dbraw/zinc/69/65/97/224696597.db2.gz OBLJONISFYIDJG-JQWIXIFHSA-N 1 0 320.349 1.098 20 5 DDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000417765006 225430745 /nfs/dbraw/zinc/43/07/45/225430745.db2.gz NHBAZCJDTKUDGB-KGLIPLIRSA-N 1 0 318.377 1.531 20 5 DDBDRO [NH3+]C[C@H](NC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)C1CC1 ZINC000418456214 225743999 /nfs/dbraw/zinc/74/39/99/225743999.db2.gz HOFYJUVJGYSZCD-AWEZNQCLSA-N 1 0 320.349 1.105 20 5 DDBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H]1CCC[N@@H+]1CCOC ZINC000360965900 418555774 /nfs/dbraw/zinc/55/57/74/418555774.db2.gz KJYPWFKBMXKMAR-LBPRGKRZSA-N 1 0 311.386 1.642 20 5 DDBDRO CC1(CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)CC[NH2+]CC1 ZINC000193373666 222152362 /nfs/dbraw/zinc/15/23/62/222152362.db2.gz FZZYKMPIXLKNCL-UHFFFAOYSA-N 1 0 319.408 1.324 20 5 DDBDRO CC(C)CN(CC[NH+](C)C)C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000193733237 222161677 /nfs/dbraw/zinc/16/16/77/222161677.db2.gz NDCYEZPGHMEFCV-UHFFFAOYSA-N 1 0 310.354 1.355 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)c1 ZINC000375011465 418587858 /nfs/dbraw/zinc/58/78/58/418587858.db2.gz FZGIKRQOISLMBE-KBPBESRZSA-N 1 0 308.382 1.930 20 5 DDBDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000194599753 222179311 /nfs/dbraw/zinc/17/93/11/222179311.db2.gz UUVIWUXSZDYOLS-ZDUSSCGKSA-N 1 0 321.377 1.744 20 5 DDBDRO COC(=O)c1cc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)n(C)c1C ZINC000291192270 222209766 /nfs/dbraw/zinc/20/97/66/222209766.db2.gz MBUWLOAUWDXEHW-UHFFFAOYSA-N 1 0 321.337 1.015 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H]2C(=O)NC[C@H]2C1 ZINC000368231814 418707805 /nfs/dbraw/zinc/70/78/05/418707805.db2.gz YVSRPARRAMNZRF-AAEUAGOBSA-N 1 0 305.334 1.171 20 5 DDBDRO C[N@@H+]1CCCC12CCN(C(=O)c1cc([N+](=O)[O-])cnc1N)CC2 ZINC000368119469 418692461 /nfs/dbraw/zinc/69/24/61/418692461.db2.gz LHFFMWSBMRYOFR-UHFFFAOYSA-N 1 0 319.365 1.272 20 5 DDBDRO COC(=O)CN1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000361736186 418704131 /nfs/dbraw/zinc/70/41/31/418704131.db2.gz VDJKHQXNZOYACC-UHFFFAOYSA-N 1 0 321.377 1.630 20 5 DDBDRO COc1ccc(OCC[N@@H+]2CCOC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000371099100 418761591 /nfs/dbraw/zinc/76/15/91/418761591.db2.gz JQZHCGHNHAKMDL-LBPRGKRZSA-N 1 0 310.350 1.951 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCCC[C@H](CO)C1 ZINC000371688060 418809266 /nfs/dbraw/zinc/80/92/66/418809266.db2.gz CLWUJUQLBRZLQK-KBPBESRZSA-N 1 0 324.377 1.429 20 5 DDBDRO O=C(CCn1cc([N+](=O)[O-])cn1)NC1CC([NH+]2CCCCC2)C1 ZINC000365419899 418858686 /nfs/dbraw/zinc/85/86/86/418858686.db2.gz GGVPYDDANLWYFB-UHFFFAOYSA-N 1 0 321.381 1.315 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H](O)C[C@@H]1C ZINC000411413826 418901582 /nfs/dbraw/zinc/90/15/82/418901582.db2.gz AONLDTWRLPHYJY-JQWIXIFHSA-N 1 0 323.349 1.387 20 5 DDBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000372912197 418913995 /nfs/dbraw/zinc/91/39/95/418913995.db2.gz OCULTKJFPDOKMD-YEZGLVMTSA-N 1 0 301.346 1.818 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)CNc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000372973148 418918006 /nfs/dbraw/zinc/91/80/06/418918006.db2.gz JCTIBSAUMWBMQP-DOMZBBRYSA-N 1 0 318.377 1.559 20 5 DDBDRO Cc1nn(CCC(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)c(C)c1[N+](=O)[O-] ZINC000373053708 418924942 /nfs/dbraw/zinc/92/49/42/418924942.db2.gz UKNLBYNLZGFOGF-OLZOCXBDSA-N 1 0 321.381 1.009 20 5 DDBDRO CCOC(=O)CCC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000373229583 418932635 /nfs/dbraw/zinc/93/26/35/418932635.db2.gz LMIUBBFWPCJMEH-UHFFFAOYSA-N 1 0 310.354 1.772 20 5 DDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000423669979 227604021 /nfs/dbraw/zinc/60/40/21/227604021.db2.gz YOARHKCSDBWEQF-XYPYZODXSA-N 1 0 306.366 1.672 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424228856 228248734 /nfs/dbraw/zinc/24/87/34/228248734.db2.gz XTPLZLYTEXTFFM-NSHDSACASA-N 1 0 318.377 1.902 20 5 DDBDRO Cc1ccc([C@H](C)NC(=O)N2CC[NH2+][C@@H](C)C2)cc1[N+](=O)[O-] ZINC000417859247 419355859 /nfs/dbraw/zinc/35/58/59/419355859.db2.gz VWZLUAYZPUEGOR-RYUDHWBXSA-N 1 0 306.366 1.968 20 5 DDBDRO C[C@H]1CCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000417947132 419410078 /nfs/dbraw/zinc/41/00/78/419410078.db2.gz RZOJKFJCEKILOI-JSGCOSHPSA-N 1 0 320.393 1.764 20 5 DDBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000411622365 419363955 /nfs/dbraw/zinc/36/39/55/419363955.db2.gz SSPCSOVGJBWALQ-QLFBSQMISA-N 1 0 303.362 1.909 20 5 DDBDRO CN(C[C@H](O)COc1ccccc1[N+](=O)[O-])C[C@H]1CCC[N@@H+]1C ZINC000421011086 419448002 /nfs/dbraw/zinc/44/80/02/419448002.db2.gz RSQCCCUXZSVORW-KGLIPLIRSA-N 1 0 323.393 1.361 20 5 DDBDRO C[C@@H](NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H](C)[NH3+] ZINC000418084956 419519227 /nfs/dbraw/zinc/51/92/27/419519227.db2.gz SWOZSWLKMFODMQ-JGVFFNPUSA-N 1 0 306.326 1.006 20 5 DDBDRO Cc1c(CNC(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000418077381 419512886 /nfs/dbraw/zinc/51/28/86/419512886.db2.gz HSBJHESACZCXOJ-DGCLKSJQSA-N 1 0 306.366 1.830 20 5 DDBDRO CC[N@@H+](Cc1occc1C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000412024954 419569183 /nfs/dbraw/zinc/56/91/83/419569183.db2.gz GUWXLXFFMFKWEU-CYBMUJFWSA-N 1 0 308.338 1.576 20 5 DDBDRO C[NH2+]CCNC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000418320134 419705125 /nfs/dbraw/zinc/70/51/25/419705125.db2.gz SQUAVKXVXWWCNF-CYBMUJFWSA-N 1 0 306.366 1.703 20 5 DDBDRO C[C@@H]([NH3+])c1ccc(CNC(=O)Cn2ccc([N+](=O)[O-])n2)cc1 ZINC000429517184 228825109 /nfs/dbraw/zinc/82/51/09/228825109.db2.gz GEBLMLTTZWHHNT-SNVBAGLBSA-N 1 0 303.322 1.127 20 5 DDBDRO O=C(N[C@H]1CCC[NH2+]C1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000418389720 419767212 /nfs/dbraw/zinc/76/72/12/419767212.db2.gz WRBCLDWEZRUIMD-LBPRGKRZSA-N 1 0 320.349 1.251 20 5 DDBDRO O=[N+]([O-])c1ccc2[nH]c(=NCC3CC[NH+](CCO)CC3)[nH]c2c1 ZINC000427985866 419781627 /nfs/dbraw/zinc/78/16/27/419781627.db2.gz UAOBGFSIDZFIQI-UHFFFAOYSA-N 1 0 319.365 1.009 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430958975 228989951 /nfs/dbraw/zinc/98/99/51/228989951.db2.gz VFFOBHJZKQVZPO-DGCLKSJQSA-N 1 0 306.366 1.511 20 5 DDBDRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000418602623 419896094 /nfs/dbraw/zinc/89/60/94/419896094.db2.gz WAIDLFXPGARHNN-DOMZBBRYSA-N 1 0 320.393 1.777 20 5 DDBDRO [NH3+]CCCCNC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000418534646 419863631 /nfs/dbraw/zinc/86/36/31/419863631.db2.gz XVXTVXWWROHGCI-UHFFFAOYSA-N 1 0 308.338 1.238 20 5 DDBDRO C[NH2+][C@H](C)CNC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000418614567 419901793 /nfs/dbraw/zinc/90/17/93/419901793.db2.gz FETSMEVVWGVWLW-SNVBAGLBSA-N 1 0 308.338 1.107 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1OCCN1C[C@H]2CC[C@@H](C1)O2 ZINC000418825823 419991572 /nfs/dbraw/zinc/99/15/72/419991572.db2.gz PVOCXKDSLOZFPO-BETUJISGSA-N 1 0 308.334 1.845 20 5 DDBDRO CCOC(=O)COCC[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429255904 419994449 /nfs/dbraw/zinc/99/44/49/419994449.db2.gz UXHYBXGWJUWGKD-UHFFFAOYSA-N 1 0 310.350 1.999 20 5 DDBDRO C[C@H](CCC[NH3+])NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000418688630 419936166 /nfs/dbraw/zinc/93/61/66/419936166.db2.gz NPKSQGYBTPQSRK-LLVKDONJSA-N 1 0 306.366 1.790 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000428914289 419947411 /nfs/dbraw/zinc/94/74/11/419947411.db2.gz YWXJWAXZADUBGN-JTQLQIEISA-N 1 0 309.370 1.076 20 5 DDBDRO Cn1ccnc1[C@@H](NCC(C)(C)[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000423287902 420003796 /nfs/dbraw/zinc/00/37/96/420003796.db2.gz PDWPQXBEOSAFCL-ZDUSSCGKSA-N 1 0 303.366 1.745 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000415441762 420068619 /nfs/dbraw/zinc/06/86/19/420068619.db2.gz ASFGGJXRUJVRQC-NSHDSACASA-N 1 0 320.349 1.004 20 5 DDBDRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000415428900 420061001 /nfs/dbraw/zinc/06/10/01/420061001.db2.gz PLOQAMXDVOZHPQ-LLVKDONJSA-N 1 0 308.338 1.023 20 5 DDBDRO CNC(=O)[C@]1(C)CC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000430280256 420103294 /nfs/dbraw/zinc/10/32/94/420103294.db2.gz VPRBDNVJBDZSLS-OAHLLOKOSA-N 1 0 307.350 1.561 20 5 DDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]([NH3+])[C@@H]2C)cc1OC ZINC000423689589 420127907 /nfs/dbraw/zinc/12/79/07/420127907.db2.gz XUCTYNKGKHXXTE-ONGXEEELSA-N 1 0 323.349 1.564 20 5 DDBDRO CC(C)c1ccc(C(=O)N2CCO[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000423542497 420076609 /nfs/dbraw/zinc/07/66/09/420076609.db2.gz UBFLBFQQVCSEFQ-LBPRGKRZSA-N 1 0 307.350 1.518 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000423543773 420077811 /nfs/dbraw/zinc/07/78/11/420077811.db2.gz CALVDBOCHWOSPX-INIZCTEOSA-N 1 0 319.361 1.819 20 5 DDBDRO COc1ccc(NC(=O)CCN2CCC[C@@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000420298023 420190098 /nfs/dbraw/zinc/19/00/98/420190098.db2.gz ZNRPRFCZLOEASW-LLVKDONJSA-N 1 0 322.365 1.355 20 5 DDBDRO [NH3+]C[C@H]1CCCN1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000430580844 420146146 /nfs/dbraw/zinc/14/61/46/420146146.db2.gz NGAMPGSMZDDZED-GFCCVEGCSA-N 1 0 320.349 1.316 20 5 DDBDRO Cc1c(NC(=O)[C@H](C)N2CCC[C@@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000430658383 420171780 /nfs/dbraw/zinc/17/17/80/420171780.db2.gz XJMIWXHQHDOBRS-STQMWFEESA-N 1 0 320.393 1.901 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H](C[NH3+])C(C)(C)C ZINC000420369987 420240210 /nfs/dbraw/zinc/24/02/10/420240210.db2.gz VPTGCEYBOGIPTI-ZDUSSCGKSA-N 1 0 308.382 1.805 20 5 DDBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420369064 420241393 /nfs/dbraw/zinc/24/13/93/420241393.db2.gz BJCKKAYQLJGNOG-FRRDWIJNSA-N 1 0 320.393 1.839 20 5 DDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420382014 420251456 /nfs/dbraw/zinc/25/14/56/420251456.db2.gz PKOALTIUWNKQKX-JHJVBQTASA-N 1 0 320.393 1.839 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NCC2([NH3+])CCC2)c1 ZINC000420411067 420268475 /nfs/dbraw/zinc/26/84/75/420268475.db2.gz AKPWGAIDIKTAPC-UHFFFAOYSA-N 1 0 313.379 1.371 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000423971881 420287614 /nfs/dbraw/zinc/28/76/14/420287614.db2.gz KVNBGHSMQGIEEW-SWLSCSKDSA-N 1 0 318.377 1.902 20 5 DDBDRO CC[C@@H]([NH3+])CNS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000420476281 420308635 /nfs/dbraw/zinc/30/86/35/420308635.db2.gz XWIITMWSQSMGCS-SECBINFHSA-N 1 0 324.362 1.159 20 5 DDBDRO C[NH+](C)C1(CNC(=O)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000416305530 420321730 /nfs/dbraw/zinc/32/17/30/420321730.db2.gz XMJFSPJIRWQDRZ-UHFFFAOYSA-N 1 0 307.350 1.574 20 5 DDBDRO C[NH2+]CCCN1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000435875940 420292545 /nfs/dbraw/zinc/29/25/45/420292545.db2.gz VQLDLNAGBOQSJI-UHFFFAOYSA-N 1 0 312.395 1.024 20 5 DDBDRO O=C(c1n[nH]cc1[N+](=O)[O-])N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000423989047 420293040 /nfs/dbraw/zinc/29/30/40/420293040.db2.gz BDUOHIFOPKFMKP-NSHDSACASA-N 1 0 301.306 1.105 20 5 DDBDRO Cc1ccc(S(=O)(=O)NCCC[NH2+]C2CC2)c([N+](=O)[O-])c1 ZINC000420448374 420295181 /nfs/dbraw/zinc/29/51/81/420295181.db2.gz LJXDPZRBUXVFMV-UHFFFAOYSA-N 1 0 313.379 1.324 20 5 DDBDRO CC[C@@H]([NH3+])CNS(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000420458845 420300801 /nfs/dbraw/zinc/30/08/01/420300801.db2.gz CSLKUJOHTQMPBQ-SNVBAGLBSA-N 1 0 301.368 1.227 20 5 DDBDRO [NH3+][C@@H]1CN(C(=O)c2n[nH]cc2[N+](=O)[O-])C[C@H]1c1cccc(F)c1 ZINC000424006483 420303843 /nfs/dbraw/zinc/30/38/43/420303843.db2.gz DYNVOCMWZWDUAJ-WDEREUQCSA-N 1 0 319.296 1.024 20 5 DDBDRO CO[C@@H](C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)C1CC1 ZINC000425417024 420378302 /nfs/dbraw/zinc/37/83/02/420378302.db2.gz MCMKCXUHJTZZNE-OCCSQVGLSA-N 1 0 306.366 1.901 20 5 DDBDRO Cc1cc(C)c(S(=O)(=O)NC[C@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000440740475 420602498 /nfs/dbraw/zinc/60/24/98/420602498.db2.gz ZOODXQJXMVYSHH-NSHDSACASA-N 1 0 315.395 1.473 20 5 DDBDRO C[C@H]1[NH2+]CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000440801869 420608248 /nfs/dbraw/zinc/60/82/48/420608248.db2.gz BKSMJPHJOMHFBB-MNOVXSKESA-N 1 0 313.379 1.107 20 5 DDBDRO CCN(CC(=O)Nc1c(C)cccc1[N+](=O)[O-])[C@H]1CCNC1=O ZINC000440955763 420623058 /nfs/dbraw/zinc/62/30/58/420623058.db2.gz HBYATHYLUVLKRT-LBPRGKRZSA-N 1 0 320.349 1.052 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000453006097 420700377 /nfs/dbraw/zinc/70/03/77/420700377.db2.gz KXDCVNZLQHSTJW-GXFFZTMASA-N 1 0 305.334 1.380 20 5 DDBDRO CCN1C[C@H]([NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1=O ZINC000453366473 420723900 /nfs/dbraw/zinc/72/39/00/420723900.db2.gz RCLBQMWVIMKUSQ-AGIUHOORSA-N 1 0 321.381 1.485 20 5 DDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](CO)[C@@H]2CCCO2)c(Cl)c1 ZINC000447901235 420813849 /nfs/dbraw/zinc/81/38/49/420813849.db2.gz BJNWSGALHKEEOU-OLZOCXBDSA-N 1 0 300.742 1.878 20 5 DDBDRO COc1cc(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)c([N+](=O)[O-])cc1F ZINC000448795578 420898259 /nfs/dbraw/zinc/89/82/59/420898259.db2.gz PVCOYSPNGMSOIS-SECBINFHSA-N 1 0 323.324 1.709 20 5 DDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CO)c1ccnn1C ZINC000459719048 420856685 /nfs/dbraw/zinc/85/66/85/420856685.db2.gz RROHWKLXCMXSCC-AAEUAGOBSA-N 1 0 304.350 1.583 20 5 DDBDRO O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000493857199 420959648 /nfs/dbraw/zinc/95/96/48/420959648.db2.gz PLFNQAIQTPQRIM-IOHUUBCKSA-N 1 0 305.309 1.425 20 5 DDBDRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000455040381 420961772 /nfs/dbraw/zinc/96/17/72/420961772.db2.gz MHSXUUVWXCKUPX-LLVKDONJSA-N 1 0 307.354 1.360 20 5 DDBDRO CCOc1ccc(C(=O)NC[C@@H]2C[NH2+]CCCO2)cc1[N+](=O)[O-] ZINC000449701810 421062495 /nfs/dbraw/zinc/06/24/95/421062495.db2.gz CKJROUFOGFNQFO-LBPRGKRZSA-N 1 0 323.349 1.102 20 5 DDBDRO CC(C)[C@@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)CC[N@@H+]1C ZINC000487956634 421060229 /nfs/dbraw/zinc/06/02/29/421060229.db2.gz VXQSIRKXGIBNQC-AWEZNQCLSA-N 1 0 308.382 1.029 20 5 DDBDRO [NH3+][C@@H]1CCC[C@H](CNC(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000449637620 421041472 /nfs/dbraw/zinc/04/14/72/421041472.db2.gz HBFIWPNVWPZGMJ-NWDGAFQWSA-N 1 0 307.350 1.607 20 5 DDBDRO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1ccc([N+](=O)[O-])c(NC)n1 ZINC000455818372 421065238 /nfs/dbraw/zinc/06/52/38/421065238.db2.gz AXVIVUMZLSOHMT-NSHDSACASA-N 1 0 321.381 1.588 20 5 DDBDRO CCc1ccc(C(=O)NC[C@@H]2C[NH2+]CCCO2)cc1[N+](=O)[O-] ZINC000449711409 421066356 /nfs/dbraw/zinc/06/63/56/421066356.db2.gz OKLATERVSRODDZ-ZDUSSCGKSA-N 1 0 307.350 1.266 20 5 DDBDRO CCc1ccc(C(=O)N2CCC[C@H]3C[NH2+]C[C@H]32)cc1[N+](=O)[O-] ZINC000449730357 421070316 /nfs/dbraw/zinc/07/03/16/421070316.db2.gz DNVOYFWEMBSSIH-DZGCQCFKSA-N 1 0 303.362 1.981 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1NC[C@@H]1CCC[N@H+]1CCCO)CCN2 ZINC000450591778 421213952 /nfs/dbraw/zinc/21/39/52/421213952.db2.gz GKZLZZNYXYFARS-LBPRGKRZSA-N 1 0 320.393 1.822 20 5 DDBDRO CC1(C)CCC[N@H+](CCNC(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000559840948 421226457 /nfs/dbraw/zinc/22/64/57/421226457.db2.gz DENRHNOBDVWEPG-UHFFFAOYSA-N 1 0 306.366 1.842 20 5 DDBDRO Cc1n[nH]c(C(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)c1[N+](=O)[O-] ZINC000523352743 421234660 /nfs/dbraw/zinc/23/46/60/421234660.db2.gz QOLCGOQIVFFVKW-UHFFFAOYSA-N 1 0 323.397 1.819 20 5 DDBDRO CC(C)[N@@H+](Cc1ccccn1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000525782934 421301341 /nfs/dbraw/zinc/30/13/41/421301341.db2.gz HBGSRULPXSNCLH-OAHLLOKOSA-N 1 0 319.365 1.458 20 5 DDBDRO C[C@H]1CC[N@H+](CCNC(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000524719958 421266170 /nfs/dbraw/zinc/26/61/70/421266170.db2.gz RQFZKPPPLZPECW-LBPRGKRZSA-N 1 0 306.366 1.465 20 5 DDBDRO C[C@@H](CNC(=O)c1ccnc(N)c1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC000548058505 421394656 /nfs/dbraw/zinc/39/46/56/421394656.db2.gz RIADYHQBPWQEQU-MNOVXSKESA-N 1 0 321.381 1.422 20 5 DDBDRO COc1cc(C(=O)NCC[N@@H+]2CC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000562916497 421425723 /nfs/dbraw/zinc/42/57/23/421425723.db2.gz IKTMQUINZQFZBY-LLVKDONJSA-N 1 0 307.350 1.675 20 5 DDBDRO C[C@@H](NC(=O)c1c[nH]nc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000549189193 421496657 /nfs/dbraw/zinc/49/66/57/421496657.db2.gz BEUGNSLVFWJYBU-GHMZBOCLSA-N 1 0 321.381 1.701 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CCc2ccncc2)c1 ZINC000516964915 421583845 /nfs/dbraw/zinc/58/38/45/421583845.db2.gz CJLBTOKNHOXKLL-OAHLLOKOSA-N 1 0 317.345 1.562 20 5 DDBDRO Cc1ccc2c(c1)CC[C@H]2[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000516141675 421530090 /nfs/dbraw/zinc/53/00/90/421530090.db2.gz GZUNPSDLAMURNI-GOEBONIOSA-N 1 0 316.361 1.738 20 5 DDBDRO C[C@H](CNC(=O)c1c[nH]nc1[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC000554856889 421664259 /nfs/dbraw/zinc/66/42/59/421664259.db2.gz DFJDJLAHFOSSTR-LLVKDONJSA-N 1 0 317.349 1.568 20 5 DDBDRO COC(=O)c1cc(C)nc(NC[C@@H]2CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000557572543 421777843 /nfs/dbraw/zinc/77/78/43/421777843.db2.gz WHMFRNVJGNVYKA-NSHDSACASA-N 1 0 322.365 1.839 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000572594423 421803790 /nfs/dbraw/zinc/80/37/90/421803790.db2.gz NBVWZVUGOZEVAP-UHFFFAOYSA-N 1 0 315.333 1.384 20 5 DDBDRO COc1ccc(CC(=O)N2CC[C@H]([NH3+])[C@H](C)C2)cc1[N+](=O)[O-] ZINC000582419608 422151894 /nfs/dbraw/zinc/15/18/94/422151894.db2.gz VBQFOOIIVCDBBY-PWSUYJOCSA-N 1 0 307.350 1.342 20 5 DDBDRO CC[NH2+]CCCNS(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000574916016 422215351 /nfs/dbraw/zinc/21/53/51/422215351.db2.gz UHSVHXPJTBENBL-UHFFFAOYSA-N 1 0 315.395 1.490 20 5 DDBDRO O=[N+]([O-])c1cnc(NCC2CC[NH+](C3CCOCC3)CC2)nc1 ZINC000596314758 422374519 /nfs/dbraw/zinc/37/45/19/422374519.db2.gz OXMJDIFPTONIEM-UHFFFAOYSA-N 1 0 321.381 1.688 20 5 DDBDRO COc1cc(C(=O)N[C@@H](C)C[C@H](C)[NH3+])cc([N+](=O)[O-])c1OC ZINC000578324764 422546885 /nfs/dbraw/zinc/54/68/85/422546885.db2.gz VOMFKDXRHHEUGI-IUCAKERBSA-N 1 0 311.338 1.468 20 5 DDBDRO O=C(NCC[NH+]1CCCC1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000179554043 263361000 /nfs/dbraw/zinc/36/10/00/263361000.db2.gz ABWGOHQXHNHPNA-UHFFFAOYSA-N 1 0 314.345 1.969 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCC(C(F)F)CC1 ZINC000341560043 271118881 /nfs/dbraw/zinc/11/88/81/271118881.db2.gz ARGWDFHVAUVLRA-UHFFFAOYSA-N 1 0 301.293 1.734 20 5 DDBDRO CCCN(CC[NH+]1CCCC1)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000342272312 271362705 /nfs/dbraw/zinc/36/27/05/271362705.db2.gz ZMBTYANVBBAAFR-UHFFFAOYSA-N 1 0 308.382 1.881 20 5 DDBDRO C[C@@H]1[C@H](NC(=O)CNc2ccccc2[N+](=O)[O-])CCC[N@@H+]1C ZINC000345328976 272220678 /nfs/dbraw/zinc/22/06/78/272220678.db2.gz VEJKXJXFHXAEQJ-VXGBXAGGSA-N 1 0 306.366 1.606 20 5 DDBDRO Cn1ccc(CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000345444806 272252667 /nfs/dbraw/zinc/25/26/67/272252667.db2.gz SFAFGFBBSBNQCW-LLVKDONJSA-N 1 0 302.338 1.410 20 5 DDBDRO CC[C@@H]1COCCN1CC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001120590522 782042751 /nfs/dbraw/zinc/04/27/51/782042751.db2.gz YODALMMJTOHLSV-GDBMZVCRSA-N 1 0 323.393 1.329 20 5 DDBDRO C[C@@H](O)C[N@@H+]1CCN(c2c3c(ccc2[N+](=O)[O-])NCC3)C[C@@H]1C ZINC000275387156 274270573 /nfs/dbraw/zinc/27/05/73/274270573.db2.gz PYSWOEPDMHWHBM-NWDGAFQWSA-N 1 0 320.393 1.454 20 5 DDBDRO O=[N+]([O-])c1ccc2c(ccnc2N2CC[NH+](CCO)CC2)c1 ZINC000295519521 275038735 /nfs/dbraw/zinc/03/87/35/275038735.db2.gz RVUSXFUYVXEKCK-UHFFFAOYSA-N 1 0 302.334 1.257 20 5 DDBDRO CC1(C)NC(=O)CC[C@@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000338599582 275876548 /nfs/dbraw/zinc/87/65/48/275876548.db2.gz WBLQEOPUKRGTNF-LBPRGKRZSA-N 1 0 317.349 1.618 20 5 DDBDRO CCC[C@H]1CN(c2ncccc2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000271012837 276049706 /nfs/dbraw/zinc/04/97/06/276049706.db2.gz YBJDBGUUMFVXLC-ZDUSSCGKSA-N 1 0 308.382 1.927 20 5 DDBDRO CC[N@@H+]1CCCN(c2ncc(C(=O)OC)cc2[N+](=O)[O-])CC1 ZINC000276952237 276165312 /nfs/dbraw/zinc/16/53/12/276165312.db2.gz VPWGNPHLIMSLBC-UHFFFAOYSA-N 1 0 308.338 1.308 20 5 DDBDRO C[NH2+]C[C@@H]1CCCN1S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000124827515 277028608 /nfs/dbraw/zinc/02/86/08/277028608.db2.gz LPLMMJOJOQJVEV-VIFPVBQESA-N 1 0 317.342 1.106 20 5 DDBDRO CC(C)(C(=O)NCC1([NH3+])CCCCC1)n1cc([N+](=O)[O-])cn1 ZINC000159763810 277124396 /nfs/dbraw/zinc/12/43/96/277124396.db2.gz QEEMXHXJAUKUCS-UHFFFAOYSA-N 1 0 309.370 1.304 20 5 DDBDRO COC(=O)[C@@H]1CN(c2ccc(F)cc2[N+](=O)[O-])CC[N@H+](C)C1 ZINC000413492091 277134871 /nfs/dbraw/zinc/13/48/71/277134871.db2.gz CBLBCJWBCQDFEQ-JTQLQIEISA-N 1 0 311.313 1.275 20 5 DDBDRO CC(C)(C)NC(=O)C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000331017166 277167658 /nfs/dbraw/zinc/16/76/58/277167658.db2.gz PUHVYBUSKTZPPN-NWDGAFQWSA-N 1 0 323.397 1.779 20 5 DDBDRO CNC(=O)C[C@H](C)[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000453342740 277232849 /nfs/dbraw/zinc/23/28/49/277232849.db2.gz CTCMAVIBSSRCMD-QJPTWQEYSA-N 1 0 309.370 1.389 20 5 DDBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](CO)c1ccnn1C ZINC000459694552 277566058 /nfs/dbraw/zinc/56/60/58/277566058.db2.gz ABFONGYPVNWSJM-GXTWGEPZSA-N 1 0 318.377 1.973 20 5 DDBDRO C[C@@H](CNc1c2c(ccc1[N+](=O)[O-])NCC2)C[NH+]1CCOCC1 ZINC000278291268 278287485 /nfs/dbraw/zinc/28/74/85/278287485.db2.gz GEANYZNYEKKOBY-LBPRGKRZSA-N 1 0 320.393 1.943 20 5 DDBDRO C[C@@H]([NH2+]CCn1cccn1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000112548026 278348957 /nfs/dbraw/zinc/34/89/57/278348957.db2.gz YTKNWNHUZPNWMJ-LLVKDONJSA-N 1 0 303.322 1.408 20 5 DDBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](CO)c1ccnn1C ZINC000459694559 279274994 /nfs/dbraw/zinc/27/49/94/279274994.db2.gz ABFONGYPVNWSJM-TZMCWYRMSA-N 1 0 318.377 1.973 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@H](C)[C@@H](C)[NH3+])c1 ZINC000420433984 280654722 /nfs/dbraw/zinc/65/47/22/280654722.db2.gz DLXCLCUSIOCIFL-NXEZZACHSA-N 1 0 301.368 1.226 20 5 DDBDRO CCc1ccc(C(=O)N2CCCO[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000424015958 281394909 /nfs/dbraw/zinc/39/49/09/281394909.db2.gz DCJCWHWIQKVEQR-ZDUSSCGKSA-N 1 0 307.350 1.347 20 5 DDBDRO O=C(C[C@@H]1CC[NH2+]C1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000130818674 281395089 /nfs/dbraw/zinc/39/50/89/281395089.db2.gz AOHKSIFYMLRTJT-RYUDHWBXSA-N 1 0 319.365 1.002 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)NCC[C@H](C)[NH+]2CCCCC2)n1 ZINC000191890372 288711233 /nfs/dbraw/zinc/71/12/33/288711233.db2.gz DLTTXARGQPTVSE-LBPRGKRZSA-N 1 0 323.397 1.806 20 5 DDBDRO C[NH+](C)C1CN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)C1 ZINC000273382437 289072429 /nfs/dbraw/zinc/07/24/29/289072429.db2.gz ZBCKKLFRMGEMHA-UHFFFAOYSA-N 1 0 318.377 1.581 20 5 DDBDRO C[C@H](CC[NH+](C)C)NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000266037075 289472273 /nfs/dbraw/zinc/47/22/73/289472273.db2.gz TVKNUKNDHFKUQJ-LLVKDONJSA-N 1 0 315.395 1.354 20 5 DDBDRO Cc1nn(CCC(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)c(C)c1[N+](=O)[O-] ZINC000435242485 293799500 /nfs/dbraw/zinc/79/95/00/293799500.db2.gz KYTFAKJXXPNDKG-CYBMUJFWSA-N 1 0 321.381 1.151 20 5 DDBDRO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@@H]3CCCC[C@H]3O)CC2)n1 ZINC000573004352 304569684 /nfs/dbraw/zinc/56/96/84/304569684.db2.gz YHKBDFUOMCTISR-GXTWGEPZSA-N 1 0 308.382 1.979 20 5 DDBDRO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000357303140 299005332 /nfs/dbraw/zinc/00/53/32/299005332.db2.gz FYIURWOZJCBWSO-HSMVNMDESA-N 1 0 321.377 1.866 20 5 DDBDRO Cc1nc(N2CC[NH+]([C@@H]3CCSC3)CC2)ccc1[N+](=O)[O-] ZINC000362200656 300027654 /nfs/dbraw/zinc/02/76/54/300027654.db2.gz MYHNTIALLIDRIL-GFCCVEGCSA-N 1 0 308.407 1.926 20 5 DDBDRO O=C(NCc1ccccc1[N+](=O)[O-])c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000362559769 300096718 /nfs/dbraw/zinc/09/67/18/300096718.db2.gz LCBSCRMYARCDIN-SNVBAGLBSA-N 1 0 315.333 1.325 20 5 DDBDRO COc1ccc(C[NH2+][C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)cc1[N+](=O)[O-] ZINC000363265099 300241975 /nfs/dbraw/zinc/24/19/75/300241975.db2.gz XFCFAMLUBWZXFC-RAIGVLPGSA-N 1 0 319.361 1.702 20 5 DDBDRO C[N@@H+]1CCC[C@H](N2CCN(Cc3ccccc3[N+](=O)[O-])CC2)C1 ZINC000369359357 301171625 /nfs/dbraw/zinc/17/16/25/301171625.db2.gz QQASQGKDBBISRB-INIZCTEOSA-N 1 0 318.421 1.807 20 5 DDBDRO NC(=O)c1ccc(C[N@@H+]2CC[C@H]3OCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000369677875 301211174 /nfs/dbraw/zinc/21/11/74/301211174.db2.gz ZKUYRDAOHXXDFU-GXTWGEPZSA-N 1 0 305.334 1.305 20 5 DDBDRO C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)[C@H]1C[C@H]1[N+](=O)[O-] ZINC000369998244 301254896 /nfs/dbraw/zinc/25/48/96/301254896.db2.gz QRCPFOHZFWNPPX-VNQPRFMTSA-N 1 0 317.389 1.775 20 5 DDBDRO CCCc1n[nH]c(C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)c1[N+](=O)[O-] ZINC000370166709 301286889 /nfs/dbraw/zinc/28/68/89/301286889.db2.gz ZQLKEXBMJOHHLD-MWLCHTKSSA-N 1 0 307.354 1.094 20 5 DDBDRO O=C(N[C@H]1CCC[NH2+]CC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000372439597 301571966 /nfs/dbraw/zinc/57/19/66/301571966.db2.gz MUBNSPGZTUVQPU-JTQLQIEISA-N 1 0 308.294 1.375 20 5 DDBDRO Cc1cc(S(=O)(=O)N[C@H]2CCC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000375619123 301966487 /nfs/dbraw/zinc/96/64/87/301966487.db2.gz CRFUXCMNBFOGHD-NSHDSACASA-N 1 0 313.379 1.324 20 5 DDBDRO CN1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C[C@H]1c1ccccc1Cl ZINC000377123227 302145922 /nfs/dbraw/zinc/14/59/22/302145922.db2.gz OPKBEFNHOBRNLD-BNOWGMLFSA-N 1 0 323.780 1.820 20 5 DDBDRO NC(=O)c1cc([N+](=O)[O-])cnc1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000377362859 302172591 /nfs/dbraw/zinc/17/25/91/302172591.db2.gz QSSHTEFZDMSRPO-UWVGGRQHSA-N 1 0 305.338 1.127 20 5 DDBDRO Cc1cc(N2CC[C@@H](O)[C@H](CO)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000396825624 302349916 /nfs/dbraw/zinc/34/99/16/302349916.db2.gz BOZBDUUJFOXXOP-MEDUHNTESA-N 1 0 317.345 1.631 20 5 DDBDRO CNc1ccc(C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000532078038 303274780 /nfs/dbraw/zinc/27/47/80/303274780.db2.gz IJQDDULYVBYBNF-YGRLFVJLSA-N 1 0 318.377 1.849 20 5 DDBDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532143600 303277327 /nfs/dbraw/zinc/27/73/27/303277327.db2.gz OGTGLKPBWZWONW-GFCCVEGCSA-N 1 0 306.366 1.984 20 5 DDBDRO COc1ccc(CC(=O)N2C[C@@H](C)[N@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000534338946 303332094 /nfs/dbraw/zinc/33/20/94/303332094.db2.gz GVUNNXQILANMBS-VXGBXAGGSA-N 1 0 321.377 1.697 20 5 DDBDRO CN(CCC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000540514872 303406440 /nfs/dbraw/zinc/40/64/40/303406440.db2.gz JOCNZWWWQOUDPD-UHFFFAOYSA-N 1 0 323.349 1.390 20 5 DDBDRO [NH3+]C[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000089107835 303422398 /nfs/dbraw/zinc/42/23/98/303422398.db2.gz BARMNQQPICTCSS-GHMZBOCLSA-N 1 0 313.379 1.391 20 5 DDBDRO C[NH2+]C[C@@H](C)CNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000562813047 303896079 /nfs/dbraw/zinc/89/60/79/303896079.db2.gz FZLGZBOPLAZYMB-LLVKDONJSA-N 1 0 306.366 1.518 20 5 DDBDRO O=[N+]([O-])c1ccc(F)cc1CN1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000363526830 307030369 /nfs/dbraw/zinc/03/03/69/307030369.db2.gz HAKGWFHOFFCJFV-HOTGVXAUSA-N 1 0 323.368 1.765 20 5 DDBDRO [NH3+][C@H]1CCC[C@]12CCN(C(=O)CNc1ccccc1[N+](=O)[O-])C2 ZINC000365107224 307058670 /nfs/dbraw/zinc/05/86/70/307058670.db2.gz YEQMRQYELFFJDG-GOEBONIOSA-N 1 0 318.377 1.737 20 5 DDBDRO CNC(=O)c1ccc(N2CCC[N@@H+]3CCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000371475743 307150955 /nfs/dbraw/zinc/15/09/55/307150955.db2.gz NAKGMBWBSPQFIF-ZDUSSCGKSA-N 1 0 318.377 1.629 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)n1 ZINC000375965524 307236490 /nfs/dbraw/zinc/23/64/90/307236490.db2.gz YBOCJQKLDCDFIX-HNNXBMFYSA-N 1 0 320.324 1.524 20 5 DDBDRO [NH2+]=C(NO)[C@H]1CCCCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000376079642 307237665 /nfs/dbraw/zinc/23/76/65/307237665.db2.gz GGYIKWWGQXMOBS-OLZOCXBDSA-N 1 0 308.338 1.439 20 5 DDBDRO CN1CC[NH2+]C[C@H]1CNc1ccc2ncccc2c1[N+](=O)[O-] ZINC000394759279 307295666 /nfs/dbraw/zinc/29/56/66/307295666.db2.gz DBTLTQCDBNSQKF-NSHDSACASA-N 1 0 301.350 1.459 20 5 DDBDRO C[NH2+]C1CCN(C(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)CC1 ZINC000518974802 307446946 /nfs/dbraw/zinc/44/69/46/307446946.db2.gz XCYAUOVZRHXRJK-UHFFFAOYSA-N 1 0 321.333 1.205 20 5 DDBDRO CC[NH+](CC)CC[C@H](CO)NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000535835098 307660515 /nfs/dbraw/zinc/66/05/15/307660515.db2.gz HPOZLQADWSGPFW-SNVBAGLBSA-N 1 0 315.395 1.479 20 5 DDBDRO Cc1nnsc1C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000563709038 307979517 /nfs/dbraw/zinc/97/95/17/307979517.db2.gz SPDIOFIUXFVTKH-NSHDSACASA-N 1 0 324.362 1.284 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C[C@@H]2CCCC[C@H]2O)c1 ZINC000566797740 308063907 /nfs/dbraw/zinc/06/39/07/308063907.db2.gz NLTGLWFLHLYCSQ-DUVNUKRYSA-N 1 0 324.377 1.475 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CCC[C@@H]1CCOC1 ZINC000567696924 308091712 /nfs/dbraw/zinc/09/17/12/308091712.db2.gz KUOKMQHYPQMSGF-ZIAGYGMSSA-N 1 0 324.377 1.741 20 5 DDBDRO O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000575765047 308278997 /nfs/dbraw/zinc/27/89/97/308278997.db2.gz WYUWCKFFUXQSFX-UWVGGRQHSA-N 1 0 319.317 1.005 20 5 DDBDRO COc1ccc(CC(=O)NCCC[C@@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000576458307 308315798 /nfs/dbraw/zinc/31/57/98/308315798.db2.gz SIANEZPEHGASBZ-ZDUSSCGKSA-N 1 0 321.377 1.794 20 5 DDBDRO C[C@@H]1CC([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000577842052 308417777 /nfs/dbraw/zinc/41/77/77/308417777.db2.gz GZEUEIJAEPIDHJ-JMSVASOKSA-N 1 0 324.377 1.880 20 5 DDBDRO CCOC(C)(C)C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000578437181 308461275 /nfs/dbraw/zinc/46/12/75/308461275.db2.gz VCUGBUIFGAORSQ-GFCCVEGCSA-N 1 0 312.366 1.739 20 5 DDBDRO CNc1ccc(C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000580644184 308620396 /nfs/dbraw/zinc/62/03/96/308620396.db2.gz NPLMUFDSGGWHIR-PWSUYJOCSA-N 1 0 306.366 1.836 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCc2ccc(Cl)cc2)c1 ZINC000385763125 325755940 /nfs/dbraw/zinc/75/59/40/325755940.db2.gz IFQUZTBZEJOIBX-CQSZACIVSA-N 1 0 324.768 1.638 20 5 DDBDRO C[NH2+]C1CCN(C(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000581823154 325917572 /nfs/dbraw/zinc/91/75/72/325917572.db2.gz PAFYCHUQNNLXPA-UHFFFAOYSA-N 1 0 307.350 1.356 20 5 DDBDRO C[C@@H](C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])C[C@H](C)O ZINC000582486216 337097478 /nfs/dbraw/zinc/09/74/78/337097478.db2.gz HVHRTTCSDCJQHK-FRRDWIJNSA-N 1 0 312.366 1.331 20 5 DDBDRO COCCN1CC[C@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000582795787 337169122 /nfs/dbraw/zinc/16/91/22/337169122.db2.gz AYEUKEDAFNURSV-SWLSCSKDSA-N 1 0 305.378 1.892 20 5 DDBDRO Cc1ccc(C(=O)N[C@H](CC[NH3+])C(F)(F)F)cc1[N+](=O)[O-] ZINC000307804628 484377240 /nfs/dbraw/zinc/37/72/40/484377240.db2.gz CIEWFGTXYMKQQI-SNVBAGLBSA-N 1 0 305.256 1.913 20 5 DDBDRO C[C@@H]1C[C@H](C)N(C(=O)CNc2ccccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000424079097 533810622 /nfs/dbraw/zinc/81/06/22/533810622.db2.gz UBWHHYFVBNAEML-FRRDWIJNSA-N 1 0 320.393 1.839 20 5 DDBDRO COC(=O)c1cc(NC(=O)NC[C@@H](C)C[NH3+])c(C)c([N+](=O)[O-])c1 ZINC000415600400 533871802 /nfs/dbraw/zinc/87/18/02/533871802.db2.gz OAYCPPUAAFHGFT-QMMMGPOBSA-N 1 0 324.337 1.406 20 5 DDBDRO C[C@@H]1CCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)C[C@H]1C[NH3+] ZINC000417233228 533967073 /nfs/dbraw/zinc/96/70/73/533967073.db2.gz NXJQMCQVDADLAD-TZMCWYRMSA-N 1 0 320.393 1.764 20 5 DDBDRO C[C@@]1(C[NH3+])CCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000417236836 534265267 /nfs/dbraw/zinc/26/52/67/534265267.db2.gz VGDPFHXTPSJLKW-HNNXBMFYSA-N 1 0 306.366 1.518 20 5 DDBDRO Cc1cccc(C(=O)NC[C@@H]2CCCC[N@@H+]2CCO)c1[N+](=O)[O-] ZINC000452378487 534607139 /nfs/dbraw/zinc/60/71/39/534607139.db2.gz WZIRVILBGOEHHK-ZDUSSCGKSA-N 1 0 321.377 1.480 20 5 DDBDRO C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)[C@H](C)C[NH2+]1 ZINC000156176297 525051113 /nfs/dbraw/zinc/05/11/13/525051113.db2.gz IHTGYHOLFYGWIL-HTQZYQBOSA-N 1 0 305.381 1.027 20 5 DDBDRO O=[N+]([O-])c1ccc2ccnc(N3CCC([NH2+]CCO)CC3)c2c1 ZINC000413213632 534884365 /nfs/dbraw/zinc/88/43/65/534884365.db2.gz SVAXYEOXAMHKKN-UHFFFAOYSA-N 1 0 316.361 1.694 20 5 DDBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1C[C@H](O)C[C@@H]1[C@H]1CCCOC1 ZINC000451300863 534886794 /nfs/dbraw/zinc/88/67/94/534886794.db2.gz MREMEGJMKQVKRJ-SQWLQELKSA-N 1 0 306.362 1.957 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCC[NH2+]C1 ZINC000415661296 528614923 /nfs/dbraw/zinc/61/49/23/528614923.db2.gz QCSUEDFPVQUMGJ-JTQLQIEISA-N 1 0 308.338 1.867 20 5 DDBDRO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000330990985 529096222 /nfs/dbraw/zinc/09/62/22/529096222.db2.gz AUQMGFJLBIYUPT-LBPRGKRZSA-N 1 0 323.397 1.469 20 5 DDBDRO CC[NH+]1CCN(CCCNc2ncc([N+](=O)[O-])c(C)n2)CC1 ZINC000296651363 529145239 /nfs/dbraw/zinc/14/52/39/529145239.db2.gz XKKMJGHPTBWHOX-UHFFFAOYSA-N 1 0 308.386 1.133 20 5 DDBDRO C[C@@H](CNS(=O)(=O)c1csc([N+](=O)[O-])c1)[N@H+](C)C1CC1 ZINC000119707271 696684220 /nfs/dbraw/zinc/68/42/20/696684220.db2.gz PSMMABGOBDFIGU-QMMMGPOBSA-N 1 0 319.408 1.417 20 5 DDBDRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000128595392 696780421 /nfs/dbraw/zinc/78/04/21/696780421.db2.gz OSXRNEVEKWWGAY-VXGBXAGGSA-N 1 0 311.313 1.499 20 5 DDBDRO C[NH+](C)C[C@](C)(O)CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000153390531 696914933 /nfs/dbraw/zinc/91/49/33/696914933.db2.gz YWYJTNFFWLFWSB-CYBMUJFWSA-N 1 0 315.757 1.291 20 5 DDBDRO Cc1cc(C[N@@H+]2CCCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cs1 ZINC000981137827 697015742 /nfs/dbraw/zinc/01/57/42/697015742.db2.gz GWFYQZZXAVJPPP-ZIAGYGMSSA-N 1 0 323.418 1.756 20 5 DDBDRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2cccc(F)c2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000983653187 697286574 /nfs/dbraw/zinc/28/65/74/697286574.db2.gz HKBPJCYDFVOEKY-NMFUWQPSSA-N 1 0 321.352 1.475 20 5 DDBDRO COC(=O)C[C@@H]1CCC[N@@H+]1Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000178776411 697428774 /nfs/dbraw/zinc/42/87/74/697428774.db2.gz FIHTXOUJZPHTFF-LBPRGKRZSA-N 1 0 318.333 1.930 20 5 DDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000195260466 697737193 /nfs/dbraw/zinc/73/71/93/697737193.db2.gz KWZBMGXXURRRFG-UHFFFAOYSA-N 1 0 318.377 1.877 20 5 DDBDRO C[C@@H]1CCCN(CC[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000749678497 700176263 /nfs/dbraw/zinc/17/62/63/700176263.db2.gz SRUWIYVQWAKQAH-CZUORRHYSA-N 1 0 307.394 1.950 20 5 DDBDRO Cc1nc2n(n1)C[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000776273828 698090410 /nfs/dbraw/zinc/09/04/10/698090410.db2.gz ADKRUVAYIABWBR-TZMCWYRMSA-N 1 0 317.349 1.133 20 5 DDBDRO CC(=O)N1CC[C@H](C[N@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776594043 698125055 /nfs/dbraw/zinc/12/50/55/698125055.db2.gz RZAKMXGHKGMOAD-CZUORRHYSA-N 1 0 321.377 1.428 20 5 DDBDRO C[N@H+](CCCn1ccnc1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776600683 698126016 /nfs/dbraw/zinc/12/60/16/698126016.db2.gz DNVQNBLFLNBELW-OAHLLOKOSA-N 1 0 304.350 1.847 20 5 DDBDRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000261900864 698443525 /nfs/dbraw/zinc/44/35/25/698443525.db2.gz WQFZHUSTIJPEEM-VHSXEESVSA-N 1 0 311.313 1.308 20 5 DDBDRO C[C@H](CNS(=O)(=O)c1csc([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC000780704808 698551669 /nfs/dbraw/zinc/55/16/69/698551669.db2.gz UABDIHMRHRTUEN-SECBINFHSA-N 1 0 319.408 1.419 20 5 DDBDRO O=C(CC[N@H+]1C[C@H]2C[C@@]2(CO)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000782633747 698755448 /nfs/dbraw/zinc/75/54/48/698755448.db2.gz QCPMKODWIWVCLM-ABAIWWIYSA-N 1 0 305.334 1.238 20 5 DDBDRO C[C@H]1CC[C@@H]1[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000783223693 698821431 /nfs/dbraw/zinc/82/14/31/698821431.db2.gz LENNAHKSKZKHNW-GWCFXTLKSA-N 1 0 313.379 1.261 20 5 DDBDRO CC[N@@H+]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000786846002 699172744 /nfs/dbraw/zinc/17/27/44/699172744.db2.gz SIUALXVJNHTJGZ-LLVKDONJSA-N 1 0 306.366 1.639 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CC[C@@H]2CCCS2)c1 ZINC000715807374 699277168 /nfs/dbraw/zinc/27/71/68/699277168.db2.gz SHWBHKZIMSRZFC-NEPJUHHUSA-N 1 0 300.384 1.028 20 5 DDBDRO NC(=O)c1cccc(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000731678054 699532957 /nfs/dbraw/zinc/53/29/57/699532957.db2.gz FYLIMYYXRRZAOF-HNNXBMFYSA-N 1 0 315.329 1.517 20 5 DDBDRO CN(C[C@@H]1CCC[N@H+](C)C1)c1ccc([N+](=O)[O-])c2nonc21 ZINC000734484599 699652796 /nfs/dbraw/zinc/65/27/96/699652796.db2.gz ARAGIMNWYGUZJJ-SNVBAGLBSA-N 1 0 305.338 1.909 20 5 DDBDRO C[C@H]1CC[N@H+](CCNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000744798669 699961332 /nfs/dbraw/zinc/96/13/32/699961332.db2.gz MRSVODITQNWBTA-JTQLQIEISA-N 1 0 322.321 1.575 20 5 DDBDRO C[NH+](C)C1(CNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)CCCC1 ZINC000801819574 700341335 /nfs/dbraw/zinc/34/13/35/700341335.db2.gz CAKIKPZTBFLSIX-UHFFFAOYSA-N 1 0 324.356 1.920 20 5 DDBDRO C[N@@H+]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000801886758 700350777 /nfs/dbraw/zinc/35/07/77/700350777.db2.gz FMOWRJFEIVLXAY-SECBINFHSA-N 1 0 310.329 1.388 20 5 DDBDRO C/C(=C/C(=O)NC[C@](C)(O)C[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000752650846 700377539 /nfs/dbraw/zinc/37/75/39/700377539.db2.gz IERZXSKVLFUSEP-CKDIWJPDSA-N 1 0 321.377 1.427 20 5 DDBDRO Cc1nn(C[N@H+]2CCC[C@H]2C[C@H](C)O)c2ncc([N+](=O)[O-])cc12 ZINC000752803519 700389038 /nfs/dbraw/zinc/38/90/38/700389038.db2.gz JNMLIZQRTPCRKH-JQWIXIFHSA-N 1 0 319.365 1.841 20 5 DDBDRO O=[N+]([O-])c1ccc(-c2noc(C[NH2+][C@@H](CCO)C3CC3)n2)cc1 ZINC000763062257 700923375 /nfs/dbraw/zinc/92/33/75/700923375.db2.gz AKIRXLVWORKMFB-ZDUSSCGKSA-N 1 0 318.333 1.895 20 5 DDBDRO Cc1c(NC(=O)CC[NH2+][C@@H](CCO)C2CC2)cccc1[N+](=O)[O-] ZINC000763070091 700923892 /nfs/dbraw/zinc/92/38/92/700923892.db2.gz WFERYYRUMHHHQP-AWEZNQCLSA-N 1 0 321.377 1.982 20 5 DDBDRO CC(C)OC[C@@H](CO)[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000763876568 700951618 /nfs/dbraw/zinc/95/16/18/700951618.db2.gz UYGFDXFLXQIWBJ-CABCVRRESA-N 1 0 312.366 1.346 20 5 DDBDRO O=C(NC1CCC([NH+]2CCCCC2)CC1)c1[nH]ncc1[N+](=O)[O-] ZINC000764533694 700975752 /nfs/dbraw/zinc/97/57/52/700975752.db2.gz UZZABKRIASLZLI-UHFFFAOYSA-N 1 0 321.381 1.845 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[N@H+](C)C(C)(C)CC2)n1 ZINC000866112505 706621779 /nfs/dbraw/zinc/62/17/79/706621779.db2.gz DFEMEJPFSACCPE-UHFFFAOYSA-N 1 0 322.365 1.697 20 5 DDBDRO CC[C@H]1C[N@H+](C)CCN1Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000840094781 701966225 /nfs/dbraw/zinc/96/62/25/701966225.db2.gz WZONBSPLDVPLMN-ZDUSSCGKSA-N 1 0 303.366 1.928 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)N2C[C@@H]3CC[N@H+](C)C[C@@H]3C2)c1[N+](=O)[O-] ZINC000812337763 702161651 /nfs/dbraw/zinc/16/16/51/702161651.db2.gz HROWJSSSSTVGRM-WDEREUQCSA-N 1 0 321.381 1.465 20 5 DDBDRO CO[C@@H]1CC[C@@H](C)[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000879320874 706649099 /nfs/dbraw/zinc/64/90/99/706649099.db2.gz JSHBEQYEORECAY-MGPQQGTHSA-N 1 0 324.377 1.834 20 5 DDBDRO CN(C[C@H]1CCC[N@@H+]1C)S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000817151530 702290995 /nfs/dbraw/zinc/29/09/95/702290995.db2.gz SVKOOZSOFVUZIF-SECBINFHSA-N 1 0 319.408 1.371 20 5 DDBDRO C[C@H]([NH3+])[C@H](C)NC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000841255892 702404210 /nfs/dbraw/zinc/40/42/10/702404210.db2.gz PQLBNQBXQHOXPH-BQBZGAKWSA-N 1 0 314.729 1.039 20 5 DDBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@]1(O)CCO[C@H]1C ZINC000866353701 706679691 /nfs/dbraw/zinc/67/96/91/706679691.db2.gz ZRJTYPBEXPZLAN-ZETOZRRWSA-N 1 0 312.341 1.794 20 5 DDBDRO C[C@@H]([NH2+]CCCCS(C)(=O)=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000818351268 702639222 /nfs/dbraw/zinc/63/92/22/702639222.db2.gz PQONNGGHYDLKPU-SNVBAGLBSA-N 1 0 315.395 1.652 20 5 DDBDRO C[NH+](C)C1(CNc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)CC1 ZINC000842046598 702663232 /nfs/dbraw/zinc/66/32/32/702663232.db2.gz DVARFQXFWICEQW-UHFFFAOYSA-N 1 0 318.377 1.993 20 5 DDBDRO CC(C)[N@@H+]1CCC[C@H](COC(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000842829382 702780885 /nfs/dbraw/zinc/78/08/85/702780885.db2.gz HNSAFYVJSPCOQQ-NSHDSACASA-N 1 0 310.354 1.606 20 5 DDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCCCCC[NH3+] ZINC000842923298 702791546 /nfs/dbraw/zinc/79/15/46/702791546.db2.gz WBEPPYUHCZLAKG-UHFFFAOYSA-N 1 0 315.395 1.701 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CC[C@@H](O)C(F)(F)F)c1 ZINC000843073870 702813772 /nfs/dbraw/zinc/81/37/72/702813772.db2.gz VDICNVNRDRRJER-WDEREUQCSA-N 1 0 308.256 1.531 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@H](CO)c2ccccc2)c1 ZINC000843078442 702814454 /nfs/dbraw/zinc/81/44/54/702814454.db2.gz YVAHCRCCJQFBHK-WBVHZDCISA-N 1 0 316.357 1.994 20 5 DDBDRO CC[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H](O)C(F)(F)F ZINC000843090483 702816981 /nfs/dbraw/zinc/81/69/81/702816981.db2.gz XFFRKSHDBIBMQS-SDDRHHMPSA-N 1 0 322.283 1.920 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@]2(CCO)CCOC2)c1 ZINC000843100291 702819218 /nfs/dbraw/zinc/81/92/18/702819218.db2.gz IJGJQUVTJJZHRZ-GJZGRUSLSA-N 1 0 310.350 1.007 20 5 DDBDRO O=[N+]([O-])c1ccccc1NCCc1noc(C[C@H]2CCC[NH2+]2)n1 ZINC000843184088 702835710 /nfs/dbraw/zinc/83/57/10/702835710.db2.gz DRFVKIDNSRZXJG-LLVKDONJSA-N 1 0 317.349 1.927 20 5 DDBDRO C[C@H]([NH2+]C[C@@]12COC(=O)N1CCOC2)c1cccc([N+](=O)[O-])c1 ZINC000866519952 706719772 /nfs/dbraw/zinc/71/97/72/706719772.db2.gz YPZLHTPHLPASKD-XHDPSFHLSA-N 1 0 321.333 1.467 20 5 DDBDRO C[C@H](C(=O)NOC1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000846651089 703308567 /nfs/dbraw/zinc/30/85/67/703308567.db2.gz YEZCVVNFYUJISU-NSHDSACASA-N 1 0 307.350 1.840 20 5 DDBDRO CO[C@](C)(CO)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000848558885 703562943 /nfs/dbraw/zinc/56/29/43/703562943.db2.gz PICJBWVWYMHLTG-INIZCTEOSA-N 1 0 323.393 1.551 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CCO[C@H]2CC2(F)F)cc1 ZINC000849326060 703635542 /nfs/dbraw/zinc/63/55/42/703635542.db2.gz BLVAWKPKDFKJSQ-NEPJUHHUSA-N 1 0 302.277 1.642 20 5 DDBDRO CC(C)[C@H]([NH3+])CCNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000850593344 703738450 /nfs/dbraw/zinc/73/84/50/703738450.db2.gz MSYQPQSIGPHZJY-SNVBAGLBSA-N 1 0 319.358 1.386 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1OS(=O)(=O)CCC[NH+](C)C ZINC000866695790 706767391 /nfs/dbraw/zinc/76/73/91/706767391.db2.gz YXGHEOICPIWKKZ-UHFFFAOYSA-N 1 0 318.351 1.264 20 5 DDBDRO CCO[C@@H](CNC(=O)CNc1ccccc1[N+](=O)[O-])C[NH+](C)C ZINC000831757848 706773163 /nfs/dbraw/zinc/77/31/63/706773163.db2.gz SRELRXCYQXVRPZ-LBPRGKRZSA-N 1 0 324.381 1.090 20 5 DDBDRO CN(C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000818546556 703923792 /nfs/dbraw/zinc/92/37/92/703923792.db2.gz FYHXDAZEJXEXOB-SECBINFHSA-N 1 0 315.732 1.750 20 5 DDBDRO C[C@H]1CN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C[C@H](C)[NH2+]1 ZINC000818554024 703924406 /nfs/dbraw/zinc/92/44/06/703924406.db2.gz GDHPRIRNSUTTQO-QWRGUYRKSA-N 1 0 317.349 1.153 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)NCC1CC[NH2+]CC1 ZINC000818559663 703926430 /nfs/dbraw/zinc/92/64/30/703926430.db2.gz GKHIGOVALRSQAG-UHFFFAOYSA-N 1 0 311.313 1.229 20 5 DDBDRO CCN(CC)C(=O)C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000818975816 704040376 /nfs/dbraw/zinc/04/03/76/704040376.db2.gz YCYZJEAYGCDOKC-UHFFFAOYSA-N 1 0 322.365 1.381 20 5 DDBDRO Cc1cc(C[C@@H](C)[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000819176515 704081607 /nfs/dbraw/zinc/08/16/07/704081607.db2.gz FCIVOQBBWVMQDM-BMIGLBTASA-N 1 0 304.350 1.881 20 5 DDBDRO O=[N+]([O-])c1cccc(CC[NH2+]C[C@H](O)c2ccc(F)cn2)c1 ZINC000819189635 704083947 /nfs/dbraw/zinc/08/39/47/704083947.db2.gz CWRNZGVZKQZSOI-HNNXBMFYSA-N 1 0 305.309 1.995 20 5 DDBDRO CC(=O)N1CCC[C@H](C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819276455 704099466 /nfs/dbraw/zinc/09/94/66/704099466.db2.gz LZNMRNDDTBPAGJ-CJNGLKHVSA-N 1 0 321.377 1.476 20 5 DDBDRO CC(=O)N1CCC[C@H](C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000819277286 704099883 /nfs/dbraw/zinc/09/98/83/704099883.db2.gz GRNJAZYCXYHWAS-CZUORRHYSA-N 1 0 321.377 1.476 20 5 DDBDRO CCS(=O)(=O)CCC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819367167 704114237 /nfs/dbraw/zinc/11/42/37/704114237.db2.gz DTGNPVDMTJIASB-CYBMUJFWSA-N 1 0 316.379 1.043 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H]2CCN(CC(F)F)C2)c1 ZINC000819378181 704116659 /nfs/dbraw/zinc/11/66/59/704116659.db2.gz WBOZYNSYWAOEGC-WCQYABFASA-N 1 0 315.320 1.557 20 5 DDBDRO O=C(C=C1CC[NH2+]CC1)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000852805184 704129484 /nfs/dbraw/zinc/12/94/84/704129484.db2.gz RJEHIFKYHNFBII-UHFFFAOYSA-N 1 0 304.350 1.433 20 5 DDBDRO [NH3+]C[C@@H]1CC(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)=NO1 ZINC000852835512 704142147 /nfs/dbraw/zinc/14/21/47/704142147.db2.gz OTBIHDZCJNCPEG-ZDUSSCGKSA-N 1 0 320.349 1.137 20 5 DDBDRO Cc1ccc(CNC(=O)[C@@H]2CC23CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000870962070 704183113 /nfs/dbraw/zinc/18/31/13/704183113.db2.gz LYWRJEUXLNFGMC-ZDUSSCGKSA-N 1 0 303.362 1.909 20 5 DDBDRO CN(CC1C[NH+](C)C1)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000853552565 704266710 /nfs/dbraw/zinc/26/67/10/704266710.db2.gz BATOKRXOBATNAK-UHFFFAOYSA-N 1 0 315.377 1.909 20 5 DDBDRO C[C@@H](CN(C)CCC[NH+](C)C)Nc1cc(N)ccc1[N+](=O)[O-] ZINC000853774243 704314079 /nfs/dbraw/zinc/31/40/79/704314079.db2.gz QHKRRLYCNRNNDD-LBPRGKRZSA-N 1 0 309.414 1.861 20 5 DDBDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)c3cc([N+](=O)[O-])ccc3F)[C@@H]2C1 ZINC000854986831 704465218 /nfs/dbraw/zinc/46/52/18/704465218.db2.gz CLDCPUFEOHOUFU-IINYFYTJSA-N 1 0 307.325 1.900 20 5 DDBDRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000855284600 704477232 /nfs/dbraw/zinc/47/72/32/704477232.db2.gz WDBKTWSLNQZIFM-JSGCOSHPSA-N 1 0 321.377 1.617 20 5 DDBDRO [NH3+]C/C=C/CNC(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857764834 704621831 /nfs/dbraw/zinc/62/18/31/704621831.db2.gz BPBKMYYXXKLJRD-OWOJBTEDSA-N 1 0 301.249 1.198 20 5 DDBDRO COc1cc(NCC[N@@H+]2CC[C@@H](O)C2)c([N+](=O)[O-])cc1OC ZINC000858811919 704760740 /nfs/dbraw/zinc/76/07/40/704760740.db2.gz IQFKEUJNFMSMOL-SNVBAGLBSA-N 1 0 311.338 1.091 20 5 DDBDRO CC(C)(CCC(=O)N1CCN(c2cc[nH+]cc2)CC1)[N+](=O)[O-] ZINC000822234044 704896544 /nfs/dbraw/zinc/89/65/44/704896544.db2.gz ATKUINRJRPJCBW-UHFFFAOYSA-N 1 0 306.366 1.566 20 5 DDBDRO CC[N@@H+]1CCCN(C(=O)Cn2c(C)ncc2[N+](=O)[O-])[C@H](C)C1 ZINC000822568763 704976875 /nfs/dbraw/zinc/97/68/75/704976875.db2.gz HZMHUUJOONQETQ-LLVKDONJSA-N 1 0 309.370 1.042 20 5 DDBDRO CC(=O)NC[C@@H]1CCCC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000860176995 705124120 /nfs/dbraw/zinc/12/41/20/705124120.db2.gz LFPMQRHCWIYUGN-JKSUJKDBSA-N 1 0 321.377 1.619 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1-c1noc(CC2(C[NH3+])CCCCC2)n1 ZINC000823089784 705136282 /nfs/dbraw/zinc/13/62/82/705136282.db2.gz YBINWRDSNZOFQC-UHFFFAOYSA-N 1 0 320.353 1.830 20 5 DDBDRO COc1cccc(C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3C)c1[N+](=O)[O-] ZINC000874827844 705186009 /nfs/dbraw/zinc/18/60/09/705186009.db2.gz DULZTCRMSKXMSF-CHWSQXEVSA-N 1 0 319.361 1.912 20 5 DDBDRO CNc1nccc(C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3C)c1[N+](=O)[O-] ZINC000874830011 705188458 /nfs/dbraw/zinc/18/84/58/705188458.db2.gz PRIKSHOALVPETQ-NWDGAFQWSA-N 1 0 319.365 1.340 20 5 DDBDRO CNc1c(C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3C)cccc1[N+](=O)[O-] ZINC000874833540 705191349 /nfs/dbraw/zinc/19/13/49/705191349.db2.gz LUCXSJHPRPNANT-QWHCGFSZSA-N 1 0 318.377 1.945 20 5 DDBDRO CNc1c(C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3C)cccc1[N+](=O)[O-] ZINC000874833536 705191485 /nfs/dbraw/zinc/19/14/85/705191485.db2.gz LUCXSJHPRPNANT-CHWSQXEVSA-N 1 0 318.377 1.945 20 5 DDBDRO C[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825614967 705703485 /nfs/dbraw/zinc/70/34/85/705703485.db2.gz DPUAOKYVGZOSFW-KBPBESRZSA-N 1 0 307.350 1.181 20 5 DDBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825830352 705735475 /nfs/dbraw/zinc/73/54/75/705735475.db2.gz KNQHOVDEIUKUMP-GJZGRUSLSA-N 1 0 321.377 1.619 20 5 DDBDRO O=C(/C=C/[C@H]1CCC[NH2+]C1)NCCNc1ccccc1[N+](=O)[O-] ZINC000876563379 705759883 /nfs/dbraw/zinc/75/98/83/705759883.db2.gz FFTYUZWKAKWBJJ-SBDDDAINSA-N 1 0 318.377 1.679 20 5 DDBDRO C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000876657764 705806325 /nfs/dbraw/zinc/80/63/25/705806325.db2.gz JTIQSLAFKAYNMR-FKZRYSJHSA-N 1 0 319.361 1.502 20 5 DDBDRO Cc1ccc(N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000826685241 705845349 /nfs/dbraw/zinc/84/53/49/705845349.db2.gz GYIMZYYZMMCXMO-LBPRGKRZSA-N 1 0 306.366 1.459 20 5 DDBDRO CC(C)C[C@H](O)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000876987854 705950245 /nfs/dbraw/zinc/95/02/45/705950245.db2.gz LGUJESKKENKGDQ-HNNXBMFYSA-N 1 0 322.409 1.955 20 5 DDBDRO CCN(CC[NH3+])C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000877006520 705956700 /nfs/dbraw/zinc/95/67/00/705956700.db2.gz LKNZBDAGDXJAPW-UHFFFAOYSA-N 1 0 303.721 1.737 20 5 DDBDRO C[C@@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)[C@@H](C)N1CCOCC1 ZINC000877025446 705963570 /nfs/dbraw/zinc/96/35/70/705963570.db2.gz KWLMATZWQIWLMB-IWMBGFJWSA-N 1 0 323.397 1.194 20 5 DDBDRO O=C1[C@@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCN1C1CCC1 ZINC000863590168 705965669 /nfs/dbraw/zinc/96/56/69/705965669.db2.gz FFMSRUMXRBKZLE-GJZGRUSLSA-N 1 0 319.361 1.371 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3F)CC[C@@H]21 ZINC000827339436 705980102 /nfs/dbraw/zinc/98/01/02/705980102.db2.gz TUPMZCUBSQPLLA-YGRLFVJLSA-N 1 0 307.325 1.900 20 5 DDBDRO C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000827626284 706039621 /nfs/dbraw/zinc/03/96/21/706039621.db2.gz VHAHOYQPYMMQOU-KKUMJFAQSA-N 1 0 303.362 1.909 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877285957 706049036 /nfs/dbraw/zinc/04/90/36/706049036.db2.gz ADWYULMOZOEOMS-UONOGXRCSA-N 1 0 305.334 1.327 20 5 DDBDRO C[S@](=O)CC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000827938730 706090970 /nfs/dbraw/zinc/09/09/70/706090970.db2.gz RKGAMLSZOJALFH-NRFANRHFSA-N 1 0 312.391 1.817 20 5 DDBDRO CC(C)(O)[C@H]1CC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000877835759 706227000 /nfs/dbraw/zinc/22/70/00/706227000.db2.gz WTWVTRIQRFQZJO-LBPRGKRZSA-N 1 0 322.361 1.959 20 5 DDBDRO O=[N+]([O-])c1cccc(OCC[NH+]2CCC(CO)(CO)CC2)c1 ZINC000879968583 706838223 /nfs/dbraw/zinc/83/82/23/706838223.db2.gz RBTOTTRXGUBCAL-UHFFFAOYSA-N 1 0 310.350 1.040 20 5 DDBDRO CC(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(C)c([N+](=O)[O-])c3)C[C@@H]2C1 ZINC000880313053 706938111 /nfs/dbraw/zinc/93/81/11/706938111.db2.gz FGYWAJWAGAXSQH-GASCZTMLSA-N 1 0 303.362 1.813 20 5 DDBDRO CO[C@@H]1COCC[C@@H]1[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000880425590 706970490 /nfs/dbraw/zinc/97/04/90/706970490.db2.gz GHGPZRGPWFLYBM-SWLSCSKDSA-N 1 0 310.350 1.709 20 5 DDBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000832955077 706998304 /nfs/dbraw/zinc/99/83/04/706998304.db2.gz ZHVXLQBETNKYLX-IUODEOHRSA-N 1 0 323.393 1.865 20 5 DDBDRO Cc1cc(C(=O)N2C[C@H]3CC[N@@H+](C)[C@H]3C2)c(N)c([N+](=O)[O-])c1 ZINC000834310209 707027706 /nfs/dbraw/zinc/02/77/06/707027706.db2.gz GYFZQHORCKKGJX-MFKMUULPSA-N 1 0 304.350 1.262 20 5 DDBDRO [NH3+]CCSCc1cn(Cc2cc(F)ccc2[N+](=O)[O-])nn1 ZINC000881226605 707158481 /nfs/dbraw/zinc/15/84/81/707158481.db2.gz RLSPRAMSMSOACS-UHFFFAOYSA-N 1 0 311.342 1.566 20 5 DDBDRO C[NH+](C)CCc1cn(Cc2ccc(Cl)c([N+](=O)[O-])c2)nn1 ZINC000881226967 707158767 /nfs/dbraw/zinc/15/87/67/707158767.db2.gz CZRGFHBQOGUPOD-UHFFFAOYSA-N 1 0 309.757 1.992 20 5 DDBDRO CC1(C)CC[NH2+]CCN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000872292312 707368326 /nfs/dbraw/zinc/36/83/26/707368326.db2.gz SSZGDVCRBVEJEX-UHFFFAOYSA-N 1 0 320.393 1.997 20 5 DDBDRO CC1([NH+]2CCC2)CCN(C(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000882505712 707671291 /nfs/dbraw/zinc/67/12/91/707671291.db2.gz PGKUIMBADNPDQE-UHFFFAOYSA-N 1 0 318.377 1.877 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC[C@@H]([NH2+]C3CCOCC3)C2)nc1 ZINC000882725444 707762330 /nfs/dbraw/zinc/76/23/30/707762330.db2.gz RWRMOJJDGSHWGC-CYBMUJFWSA-N 1 0 306.366 1.727 20 5 DDBDRO Nc1c(F)c(N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)ccc1[N+](=O)[O-] ZINC000897221449 708259170 /nfs/dbraw/zinc/25/91/70/708259170.db2.gz NBLFYSJHYRECOP-QWRGUYRKSA-N 1 0 324.356 1.352 20 5 DDBDRO COc1ccc(C[NH2+][C@]23CC(=O)N[C@H]2CCCC3)cc1[N+](=O)[O-] ZINC000898466983 708649206 /nfs/dbraw/zinc/64/92/06/708649206.db2.gz HHWVXKLIAWKATE-GOEBONIOSA-N 1 0 319.361 1.894 20 5 DDBDRO CC1([C@@H]2CCC[N@H+](Cc3cccnc3[N+](=O)[O-])C2)OCCO1 ZINC000886125269 708702130 /nfs/dbraw/zinc/70/21/30/708702130.db2.gz MUXMJKGTYSRWGA-CYBMUJFWSA-N 1 0 307.350 1.965 20 5 DDBDRO CN(C)S(=O)(=O)C1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000886322192 708742569 /nfs/dbraw/zinc/74/25/69/708742569.db2.gz RFZVEANQTIGIGI-UHFFFAOYSA-N 1 0 313.379 1.108 20 5 DDBDRO [NH3+][C@H]1CCCO[C@H]1C1CCN(Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886839266 708859018 /nfs/dbraw/zinc/85/90/18/708859018.db2.gz AIRMYZHHNDIWHG-GJZGRUSLSA-N 1 0 320.393 1.708 20 5 DDBDRO CCN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[NH2+]C1 ZINC000886854096 708865175 /nfs/dbraw/zinc/86/51/75/708865175.db2.gz AXDKVDHWCBTORP-CQSZACIVSA-N 1 0 306.366 1.607 20 5 DDBDRO C[NH+](C)[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cn2)C12CCC2 ZINC000898834766 708883936 /nfs/dbraw/zinc/88/39/36/708883936.db2.gz IIVQRUBOMMLUMA-CHWSQXEVSA-N 1 0 304.350 1.592 20 5 DDBDRO CCC1([NH+]2CCC2)CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000899557503 709111564 /nfs/dbraw/zinc/11/15/64/709111564.db2.gz SFGGFWQOIBIFFT-UHFFFAOYSA-N 1 0 307.354 1.408 20 5 DDBDRO C[NH+]1CCC2(CCN2C(=O)Cc2cccc(F)c2[N+](=O)[O-])CC1 ZINC000889221904 709463939 /nfs/dbraw/zinc/46/39/39/709463939.db2.gz XDOJGWXRCBKESP-UHFFFAOYSA-N 1 0 321.352 1.973 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC([NH2+]C2CCC2)CC1 ZINC000889838028 709653034 /nfs/dbraw/zinc/65/30/34/709653034.db2.gz VCYRZXMIISMQEQ-UHFFFAOYSA-N 1 0 306.366 1.680 20 5 DDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000891606701 710246482 /nfs/dbraw/zinc/24/64/82/710246482.db2.gz IGVNEEITFWLKLY-GOEBONIOSA-N 1 0 318.377 1.721 20 5 DDBDRO CCOC(=O)c1cc([N+](=O)[O-])c(N2C[C@@H]3C[NH2+]C[C@H]3C2)cc1C ZINC000891929715 710330659 /nfs/dbraw/zinc/33/06/59/710330659.db2.gz QDFRHNNANMPGEW-RYUDHWBXSA-N 1 0 319.361 1.736 20 5 DDBDRO Cc1ccc(CNC(=O)NCC[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000891998774 710349741 /nfs/dbraw/zinc/34/97/41/710349741.db2.gz HQKCKJZTAHNKFG-GFCCVEGCSA-N 1 0 306.366 1.702 20 5 DDBDRO Cc1nn(CCC(=O)N[C@@H]2CC[N@H+](C)[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000928448249 713201011 /nfs/dbraw/zinc/20/10/11/713201011.db2.gz NDLDEHRKIAFMMD-CMPLNLGQSA-N 1 0 309.370 1.007 20 5 DDBDRO C[C@H]1[C@H](NC(=O)CCNc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000928453565 713203971 /nfs/dbraw/zinc/20/39/71/713203971.db2.gz OWSUDWXEZYAJAP-NWDGAFQWSA-N 1 0 306.366 1.606 20 5 DDBDRO CNC(=O)c1ccc(N2CC[C@@H]3C[N@H+](C)C[C@@H]32)c([N+](=O)[O-])c1 ZINC000893941490 710893752 /nfs/dbraw/zinc/89/37/52/710893752.db2.gz SDWBHYGDQJPRLP-RISCZKNCSA-N 1 0 304.350 1.095 20 5 DDBDRO C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C[C@@H](C)[NH2+]1 ZINC000911799175 710998339 /nfs/dbraw/zinc/99/83/39/710998339.db2.gz FXWIXTQUJHXBHL-HKCMKHECSA-N 1 0 303.362 1.907 20 5 DDBDRO COCCN1CC[C@H]([NH2+][C@H](C)c2cc(OC)cc([N+](=O)[O-])c2)C1 ZINC000903093158 711029909 /nfs/dbraw/zinc/02/99/09/711029909.db2.gz PNHUKSDSSXJKTM-OCCSQVGLSA-N 1 0 323.393 1.975 20 5 DDBDRO COc1cc([C@H](C)[NH2+][C@H]2CCCN(C)C2=O)cc([N+](=O)[O-])c1 ZINC000903104662 711032704 /nfs/dbraw/zinc/03/27/04/711032704.db2.gz KUEWPWZBTDBBSP-HZMBPMFUSA-N 1 0 307.350 1.875 20 5 DDBDRO CC1(C)CN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@H]1[NH3+] ZINC000903553439 711189574 /nfs/dbraw/zinc/18/95/74/711189574.db2.gz UNYCQSLKHINZEE-CQSZACIVSA-N 1 0 318.377 1.153 20 5 DDBDRO [NH3+]C[C@H]1Cc2cc(F)ccc2N(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000903568350 711200735 /nfs/dbraw/zinc/20/07/35/711200735.db2.gz KDAXLCFCPAPHQS-LLVKDONJSA-N 1 0 319.340 1.568 20 5 DDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CCC(O)(C[NH+](C)C)CC1 ZINC000894956002 711337797 /nfs/dbraw/zinc/33/77/97/711337797.db2.gz MWYZUOBFYHKTEH-UHFFFAOYSA-N 1 0 311.386 1.013 20 5 DDBDRO CON(C)C(=O)C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000895043256 711382705 /nfs/dbraw/zinc/38/27/05/711382705.db2.gz UALOTWZNQMWJCC-GXTWGEPZSA-N 1 0 321.377 1.915 20 5 DDBDRO COc1c(O)ccc(CN(C)[C@H]2CCC(=O)N(C)C2)c1[N+](=O)[O-] ZINC000895537972 711536918 /nfs/dbraw/zinc/53/69/18/711536918.db2.gz XCQGAMHEUZYUSO-NSHDSACASA-N 1 0 323.349 1.362 20 5 DDBDRO CCO[C@@H](CNc1ccc([N+](=O)[O-])c(N)c1F)C[NH+](C)C ZINC000896117056 711678426 /nfs/dbraw/zinc/67/84/26/711678426.db2.gz KFZQGQZJKHEEPA-VIFPVBQESA-N 1 0 300.334 1.695 20 5 DDBDRO CCO[C@H](CNc1ccc2ncc([N+](=O)[O-])n2n1)C[NH+](C)C ZINC000896118280 711678780 /nfs/dbraw/zinc/67/87/80/711678780.db2.gz YUUSKCSJHPYUOM-SNVBAGLBSA-N 1 0 308.342 1.016 20 5 DDBDRO C[C@@H](NC(=O)c1csc([N+](=O)[O-])c1)[C@@H]1C[N@H+](C)CCN1C ZINC000896572425 711755687 /nfs/dbraw/zinc/75/56/87/711755687.db2.gz VBLUSBVZIRDZTC-KOLCDFICSA-N 1 0 312.395 1.020 20 5 DDBDRO O=[N+]([O-])CC[NH2+]C[C@H](CO)Cc1ccc(C(F)(F)F)cc1 ZINC000905341958 712008185 /nfs/dbraw/zinc/00/81/85/712008185.db2.gz RRYJCNJUGLNVHO-LLVKDONJSA-N 1 0 306.284 1.723 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H]2Cc3ccccc3[C@H]2O)cc1 ZINC000905706094 712125936 /nfs/dbraw/zinc/12/59/36/712125936.db2.gz DRPUGEYDPSWWME-BRWVUGGUSA-N 1 0 314.341 1.876 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])cn(CC[C@@H]2CCCC[N@@H+]2C)c1=O ZINC000915668714 713426946 /nfs/dbraw/zinc/42/69/46/713426946.db2.gz NHFOPRSWHOJENO-NSHDSACASA-N 1 0 323.349 1.418 20 5 DDBDRO C[NH+](C)C1CC(NS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000916956844 713475840 /nfs/dbraw/zinc/47/58/40/713475840.db2.gz YMKIWJNSKMJHBY-UHFFFAOYSA-N 1 0 313.379 1.107 20 5 DDBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](CCO[C@H]3CCOC3)C2)nc1 ZINC000929988910 713729928 /nfs/dbraw/zinc/72/99/28/713729928.db2.gz OOYWMASFHLUNNZ-JSGCOSHPSA-N 1 0 322.365 1.282 20 5 DDBDRO O=[N+]([O-])c1ccc(C[N@@H+](C[C@H](O)C2(O)CCC2)C2CC2)cc1 ZINC000930140857 713765565 /nfs/dbraw/zinc/76/55/65/713765565.db2.gz IQDJXXRJWNZPNY-HNNXBMFYSA-N 1 0 306.362 1.835 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000930283650 713793355 /nfs/dbraw/zinc/79/33/55/713793355.db2.gz XVLGRZXJZKMENL-GFCCVEGCSA-N 1 0 323.397 1.338 20 5 DDBDRO CC1([NH+]2CCC2)CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000922172186 713981892 /nfs/dbraw/zinc/98/18/92/713981892.db2.gz QZBMGRNDIKXTGF-UHFFFAOYSA-N 1 0 318.377 1.877 20 5 DDBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000931046139 713990017 /nfs/dbraw/zinc/99/00/17/713990017.db2.gz HNMRHUFNWZRJOR-ABAIWWIYSA-N 1 0 321.377 1.986 20 5 DDBDRO CN(C(=O)CN1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000931280940 714055879 /nfs/dbraw/zinc/05/58/79/714055879.db2.gz KXPCWODPSLYZIA-FOLVSLTJSA-N 1 0 318.377 1.049 20 5 DDBDRO O=[N+]([O-])c1cc(CN2CC[NH+](CCCCCO)CC2)cs1 ZINC000931499885 714112798 /nfs/dbraw/zinc/11/27/98/714112798.db2.gz GOQJBYUEGXPBJI-UHFFFAOYSA-N 1 0 313.423 1.937 20 5 DDBDRO Cn1nccc1[C@H](O)C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000922973667 714201231 /nfs/dbraw/zinc/20/12/31/714201231.db2.gz QYOGYLYZVOTRCL-CYBMUJFWSA-N 1 0 310.741 1.805 20 5 DDBDRO CCC[C@H]1C[NH2+]CCN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000923330313 714317170 /nfs/dbraw/zinc/31/71/70/714317170.db2.gz BXFQPMJWRRXXIM-UONOGXRCSA-N 1 0 323.393 1.408 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)CN2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000923356468 714325470 /nfs/dbraw/zinc/32/54/70/714325470.db2.gz RXWSEKQORSHOLR-HZPDHXFCSA-N 1 0 305.378 1.704 20 5 DDBDRO C[C@@H]1COC[C@@H]1[NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000932493550 714345650 /nfs/dbraw/zinc/34/56/50/714345650.db2.gz HUTLBEAXRAVMAU-KCJUWKMLSA-N 1 0 313.741 1.811 20 5 DDBDRO C[C@H]1COC[C@@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000932493437 714345781 /nfs/dbraw/zinc/34/57/81/714345781.db2.gz FZWHDYDZVYWQMY-UFBFGSQYSA-N 1 0 313.741 1.811 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+](Cc2ccoc2)C2CC2)c1 ZINC000934003572 714720423 /nfs/dbraw/zinc/72/04/23/714720423.db2.gz ATOMTWBNGFQMHM-AWEZNQCLSA-N 1 0 306.322 1.410 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CN[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925492486 714872591 /nfs/dbraw/zinc/87/25/91/714872591.db2.gz TWTZMMPHZVTKTN-TXBJDVRTSA-N 1 0 303.362 1.689 20 5 DDBDRO CC[N@H+](CCO)CCNC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000935429752 715053242 /nfs/dbraw/zinc/05/32/42/715053242.db2.gz FJEUQCISPZCDKZ-HUUCEWRRSA-N 1 0 321.377 1.129 20 5 DDBDRO C[N@@H+]1CCO[C@H]2CN(c3nccc4ccc([N+](=O)[O-])cc43)C[C@@H]21 ZINC001164674827 719426713 /nfs/dbraw/zinc/42/67/13/719426713.db2.gz XOBFLWRFKXMHKS-GJZGRUSLSA-N 1 0 314.345 1.662 20 5 DDBDRO C[N@@H+]1C[C@@]23CN(c4cc(N)c([N+](=O)[O-])cn4)C[C@]2(C1)CCCC3 ZINC001120900034 782220876 /nfs/dbraw/zinc/22/08/76/782220876.db2.gz MBUXNNPHLYIBTR-IYBDPMFKSA-N 1 0 317.393 1.884 20 5 DDBDRO COc1nc(-n2ccnc2[C@H]2CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC001167054421 732351207 /nfs/dbraw/zinc/35/12/07/732351207.db2.gz CURUNOXTRULPRA-JTQLQIEISA-N 1 0 303.322 1.651 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCCC[C@@H]2[NH+](C)C)n1 ZINC001125817207 736216178 /nfs/dbraw/zinc/21/61/78/736216178.db2.gz HOUVTVIZGWRTDX-QWRGUYRKSA-N 1 0 309.370 1.414 20 5 DDBDRO CCc1nc(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])co1 ZINC001126062078 738217876 /nfs/dbraw/zinc/21/78/76/738217876.db2.gz RGNYBIRIBGSFCP-UHFFFAOYSA-N 1 0 318.333 1.665 20 5 DDBDRO CS(=O)(=O)c1ccc(N[C@H]2C[NH2+]CC[C@H]2F)c([N+](=O)[O-])c1 ZINC001168234279 741835051 /nfs/dbraw/zinc/83/50/51/741835051.db2.gz LGCJUJQXCDLGBB-KOLCDFICSA-N 1 0 317.342 1.110 20 5 DDBDRO CN(CCN(C)c1ccccc1[N+](=O)[O-])C(=O)CCC[NH+](C)C ZINC001105539289 742108467 /nfs/dbraw/zinc/10/84/67/742108467.db2.gz ZSDRKDFWAUFHRA-UHFFFAOYSA-N 1 0 322.409 1.831 20 5 DDBDRO C[NH+](C)CCC(=O)NCC1(Nc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC001110325340 743768523 /nfs/dbraw/zinc/76/85/23/743768523.db2.gz JEHZRILUNVZCKZ-UHFFFAOYSA-N 1 0 324.356 1.746 20 5 DDBDRO CCOC(=O)c1cc(-n2ccnc2C(N)=[NH2+])ccc1[N+](=O)[O-] ZINC001168419589 744350669 /nfs/dbraw/zinc/35/06/69/744350669.db2.gz HASHFYRAWKFCEY-UHFFFAOYSA-N 1 0 303.278 1.241 20 5 DDBDRO C[C@@H]1Cc2n[nH]cc2C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC001197787331 747264516 /nfs/dbraw/zinc/26/45/16/747264516.db2.gz UDZCFTPCBUNPGE-LLVKDONJSA-N 1 0 317.349 1.174 20 5 DDBDRO COc1cc(C[NH2+]C[C@@H]2CCC[C@H](O)C2)c([N+](=O)[O-])cc1O ZINC001200691771 748321162 /nfs/dbraw/zinc/32/11/62/748321162.db2.gz HEWPVZFYRDEGRN-PWSUYJOCSA-N 1 0 310.350 1.950 20 5 DDBDRO CN(CCCNC(=O)C[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC001095560715 750040137 /nfs/dbraw/zinc/04/01/37/750040137.db2.gz XDZVLVHKPBBYRC-UHFFFAOYSA-N 1 0 320.393 1.633 20 5 DDBDRO O=C(CCc1c[nH]cn1)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001128992212 750750056 /nfs/dbraw/zinc/75/00/56/750750056.db2.gz URGYFVLDTKCMOH-UHFFFAOYSA-N 1 0 317.349 1.157 20 5 DDBDRO CCC(=O)N1CCC(C[NH2+]Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000997445492 750929892 /nfs/dbraw/zinc/92/98/92/750929892.db2.gz GHZOETBCHDQVJV-UHFFFAOYSA-N 1 0 309.370 1.067 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H]2CCN(CC3CCOCC3)C2)C1 ZINC001168997114 762170022 /nfs/dbraw/zinc/17/00/22/762170022.db2.gz XUICQBTYDQSSRB-OWCLPIDISA-N 1 0 311.426 1.522 20 5 DDBDRO COc1cccc(CNC(=O)C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001168998327 762170532 /nfs/dbraw/zinc/17/05/32/762170532.db2.gz LHXIYOZZQMDNHZ-KBPBESRZSA-N 1 0 321.377 1.346 20 5 DDBDRO O=C(C1CCC1)N1CCC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169028400 762185850 /nfs/dbraw/zinc/18/58/50/762185850.db2.gz RXQPQMCMDXHHPY-UKRRQHHQSA-N 1 0 309.410 1.766 20 5 DDBDRO CCOC(=O)N1CCC([N@H+](C)[C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169038630 762193512 /nfs/dbraw/zinc/19/35/12/762193512.db2.gz JMBWXFDHYSRBNK-JSGCOSHPSA-N 1 0 313.398 1.985 20 5 DDBDRO Nc1cccnc1N1CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169036504 762191504 /nfs/dbraw/zinc/19/15/04/762191504.db2.gz GCOTTWWMVMNUMT-STQMWFEESA-N 1 0 305.382 1.231 20 5 DDBDRO O=C(NC1CC1)[C@H]1C[C@H]2C[N@@H+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@H]2C1 ZINC001169023551 762200585 /nfs/dbraw/zinc/20/05/85/762200585.db2.gz OYWUCPYYTJYXPR-IPVBOJNNSA-N 1 0 321.421 1.668 20 5 DDBDRO CCn1ncc2c1[C@H](COC)C[N@@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169025070 762202432 /nfs/dbraw/zinc/20/24/32/762202432.db2.gz XNEIHPOAOMUOIM-QEJZJMRPSA-N 1 0 322.409 1.894 20 5 DDBDRO COc1cnc(O[C@@H]2CC[N@@H+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)C2)nc1 ZINC001169054637 762209934 /nfs/dbraw/zinc/20/99/34/762209934.db2.gz NBNGEQKJJFLVTF-RWMBFGLXSA-N 1 0 322.365 1.384 20 5 DDBDRO Cc1cnc(O[C@@H]2CC[N@@H+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)C2)nc1 ZINC001169057628 762211244 /nfs/dbraw/zinc/21/12/44/762211244.db2.gz WKJXUXIZWWHSSM-MELADBBJSA-N 1 0 306.366 1.684 20 5 DDBDRO COC(=O)c1cc(C)nc(-n2ccc([C@@H](C)[NH3+])n2)c1[N+](=O)[O-] ZINC001169230728 762291936 /nfs/dbraw/zinc/29/19/36/762291936.db2.gz BBOBPQXXXOJWBJ-MRVPVSSYSA-N 1 0 305.294 1.290 20 5 DDBDRO C[NH+](C)CCCC(=O)N[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001097245084 757016228 /nfs/dbraw/zinc/01/62/28/757016228.db2.gz XKGPYKJXDAOXQP-OKILXGFUSA-N 1 0 320.393 1.996 20 5 DDBDRO COC(=O)Cc1ccc(NCC[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC001169567568 762514840 /nfs/dbraw/zinc/51/48/40/762514840.db2.gz LETVMNURWSDRQJ-GFCCVEGCSA-N 1 0 307.350 1.864 20 5 DDBDRO Cc1cccc(C)c1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001020138853 760612437 /nfs/dbraw/zinc/61/24/37/760612437.db2.gz DXWJECGVSSMYCO-IXYNUQLISA-N 1 0 317.389 1.705 20 5 DDBDRO O=C(NC1(C2CC[NH+](CCCF)CC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001000153796 761545119 /nfs/dbraw/zinc/54/51/19/761545119.db2.gz LLBBLCXLGGYOLN-CHWSQXEVSA-N 1 0 313.373 1.372 20 5 DDBDRO [NH3+]Cc1ccc2nnn(-c3ncc4cccc([N+](=O)[O-])c4n3)c2c1 ZINC001170021705 764066656 /nfs/dbraw/zinc/06/66/56/764066656.db2.gz AUGQOHFOGLPZJE-UHFFFAOYSA-N 1 0 321.300 1.731 20 5 DDBDRO CCN(CCCNC(=O)CC[NH+](C)C)c1ccccc1[N+](=O)[O-] ZINC001095955998 765072576 /nfs/dbraw/zinc/07/25/76/765072576.db2.gz KBXNTXRNVUWTIY-UHFFFAOYSA-N 1 0 322.409 1.879 20 5 DDBDRO COc1ccc(C[C@@H](C)[NH2+]CCn2cncn2)c([N+](=O)[O-])c1 ZINC001170309209 766259788 /nfs/dbraw/zinc/25/97/88/766259788.db2.gz PIVWPQJCYMDRSN-LLVKDONJSA-N 1 0 305.338 1.416 20 5 DDBDRO CN(CC[NH3+])CCNc1ccc(-c2cccc([N+](=O)[O-])c2)nn1 ZINC001170499366 767582752 /nfs/dbraw/zinc/58/27/52/767582752.db2.gz RTSCOBYYKJEWGP-UHFFFAOYSA-N 1 0 316.365 1.354 20 5 DDBDRO CN(CC[NH3+])CCNc1ccc(C(F)(F)F)c([N+](=O)[O-])c1 ZINC001170501988 767618579 /nfs/dbraw/zinc/61/85/79/767618579.db2.gz JAAIPOISBNTWND-UHFFFAOYSA-N 1 0 306.288 1.916 20 5 DDBDRO [NH3+]CCOCCOCCNc1cc(F)cc(F)c1[N+](=O)[O-] ZINC001170511228 767684495 /nfs/dbraw/zinc/68/44/95/767684495.db2.gz ODFWQKUMPWCHPA-UHFFFAOYSA-N 1 0 305.281 1.277 20 5 DDBDRO CCc1oncc1C(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001134546478 771045488 /nfs/dbraw/zinc/04/54/88/771045488.db2.gz HORGHKVZBXGAFX-UHFFFAOYSA-N 1 0 318.333 1.665 20 5 DDBDRO O=[N+]([O-])c1ccc(C(F)(F)F)cc1N[C@@H]1C[NH2+]C[C@@H]1CO ZINC001170779238 771239235 /nfs/dbraw/zinc/23/92/35/771239235.db2.gz JLMPKFBBWWITID-GMSGAONNSA-N 1 0 305.256 1.606 20 5 DDBDRO Cc1cc(N[C@H]2C[C@H](NC(=O)CC[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC001097096715 771622457 /nfs/dbraw/zinc/62/24/57/771622457.db2.gz SMAVGMLXTBDMNB-HDJSIYSDSA-N 1 0 320.393 1.914 20 5 DDBDRO O=[N+]([O-])c1cc(Cl)c(Cl)nc1N[C@@H]1C[NH2+]C[C@@H]1CO ZINC001159671715 771818720 /nfs/dbraw/zinc/81/87/20/771818720.db2.gz LCJRTXYPPVVTKK-IYSWYEEDSA-N 1 0 307.137 1.289 20 5 DDBDRO Cc1nc(NCCNC(=O)C[N@@H+](C)C(C)C)ccc1[N+](=O)[O-] ZINC001093674109 774989466 /nfs/dbraw/zinc/98/94/66/774989466.db2.gz PCWPPTKOQOPXMJ-UHFFFAOYSA-N 1 0 309.370 1.167 20 5 DDBDRO CC[N@H+](C)CCC(=O)NCCNc1cccc(F)c1[N+](=O)[O-] ZINC001093840701 775125281 /nfs/dbraw/zinc/12/52/81/775125281.db2.gz QQXAOYPOSVYUHX-UHFFFAOYSA-N 1 0 312.345 1.604 20 5 DDBDRO C[NH+](C)CCCCC(=O)NCCCNc1ccc([N+](=O)[O-])cn1 ZINC001094509065 775957652 /nfs/dbraw/zinc/95/76/52/775957652.db2.gz CTWDVLSAIHUSRZ-UHFFFAOYSA-N 1 0 323.397 1.640 20 5 DDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1CC2(C1)CS(=O)(=O)C2 ZINC001173215985 777048244 /nfs/dbraw/zinc/04/82/44/777048244.db2.gz GSMBYQJVXWSYHP-NSHDSACASA-N 1 0 324.402 1.693 20 5 DDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](O)[C@@](C)(CO)C1 ZINC001173222733 777055802 /nfs/dbraw/zinc/05/58/02/777055802.db2.gz UZRGCJRGYOHNDL-UHOFOFEASA-N 1 0 308.378 1.591 20 5 DDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[NH+](CC(C)(C)O)CC1 ZINC001173236882 777074865 /nfs/dbraw/zinc/07/48/65/777074865.db2.gz FUFLNXKMVZZCPE-AWEZNQCLSA-N 1 0 321.421 1.914 20 5 DDBDRO C[NH+](C)CCC(=O)NCCN(c1ncccc1[N+](=O)[O-])C1CC1 ZINC001101437456 777139895 /nfs/dbraw/zinc/13/98/95/777139895.db2.gz WVEBNLYAZJKPCK-UHFFFAOYSA-N 1 0 321.381 1.027 20 5 DDBDRO CC(C)[N@H+](C)CC(=O)N(C)CCNc1ccc([N+](=O)[O-])cn1 ZINC001101657646 777352385 /nfs/dbraw/zinc/35/23/85/777352385.db2.gz IXAAOXAVAAMJCZ-UHFFFAOYSA-N 1 0 309.370 1.200 20 5 DDBDRO CCC[N@H+](C)CC(=O)N(C)CCNc1nccc(C)c1[N+](=O)[O-] ZINC001101705434 777415151 /nfs/dbraw/zinc/41/51/51/777415151.db2.gz GNHJOBNPKHEVJU-UHFFFAOYSA-N 1 0 323.397 1.510 20 5 DDBDRO CN(CCNc1ncccc1[N+](=O)[O-])C(=O)C1([NH+](C)C)CCC1 ZINC001101811201 777551195 /nfs/dbraw/zinc/55/11/95/777551195.db2.gz OOBWIFBNFLYOEF-UHFFFAOYSA-N 1 0 321.381 1.344 20 5 DDBDRO NC(=O)C[C@@H]1CCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001116491569 780515080 /nfs/dbraw/zinc/51/50/80/780515080.db2.gz UITGZBNXQJEUAI-FZMZJTMJSA-N 1 0 307.350 1.216 20 5 DDBDRO C[NH2+][C@H](C)CCNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC001118140915 781040973 /nfs/dbraw/zinc/04/09/73/781040973.db2.gz KZLHMWBKKUGALT-SNVBAGLBSA-N 1 0 306.366 1.897 20 5 DDBDRO COCCN(CC1CC[NH+](C)CC1)c1ncc([N+](=O)[O-])c(C)n1 ZINC001118989587 781291787 /nfs/dbraw/zinc/29/17/87/781291787.db2.gz RMVVGXYFVNPRON-UHFFFAOYSA-N 1 0 323.397 1.488 20 5 DDBDRO C[N@@H+]1CCN(Cn2c3cc([N+](=O)[O-])ccc3oc2=O)CC1(C)C ZINC001119330575 781406601 /nfs/dbraw/zinc/40/66/01/781406601.db2.gz IEOBABOLHWDNPI-UHFFFAOYSA-N 1 0 320.349 1.486 20 5 DDBDRO C[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1ccc(CF)cc1 ZINC001267194394 837510172 /nfs/dbraw/zinc/51/01/72/837510172.db2.gz OJSNNIBZAXCLSG-ZIAGYGMSSA-N 1 0 309.341 1.369 20 5 DDBDRO Cc1cncc([N+](=O)[O-])c1N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC001326394346 861329234 /nfs/dbraw/zinc/32/92/34/861329234.db2.gz OBMWYYIXQOYYFC-AWEZNQCLSA-N 1 0 319.409 1.514 20 5 DDBDRO COC(=O)[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001326572262 861454201 /nfs/dbraw/zinc/45/42/01/861454201.db2.gz OEGRPIJZABAIEL-MGPQQGTHSA-N 1 0 308.334 1.560 20 5 DDBDRO C[NH+](C)C[C@@H](O)CNc1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001356499489 843815866 /nfs/dbraw/zinc/81/58/66/843815866.db2.gz RGWMGQQPFNKZNF-VIFPVBQESA-N 1 0 307.272 1.948 20 5 DDBDRO Cc1nc(CNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)[nH]c1C ZINC001149404553 861592936 /nfs/dbraw/zinc/59/29/36/861592936.db2.gz KRICIZSMMZLTAH-UHFFFAOYSA-N 1 0 314.305 1.741 20 5 DDBDRO CC(C)(C)OC(=O)N1CC[C@@H](OCCOCC[N+](C)(C)C)C1 ZINC001224775842 845686309 /nfs/dbraw/zinc/68/63/09/845686309.db2.gz PWBUCKOYOHREDD-CQSZACIVSA-N 1 0 317.450 1.735 20 5 DDBDRO C[NH+](C)[C@H]1C[C@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC001299818106 845765872 /nfs/dbraw/zinc/76/58/72/845765872.db2.gz IUYAJRDECWFFKQ-KBPBESRZSA-N 1 0 321.377 1.819 20 5 DDBDRO C[NH+](C)C[C@@H]1COCCN1c1ncnc2ccc([N+](=O)[O-])cc21 ZINC001154968804 861609486 /nfs/dbraw/zinc/60/94/86/861609486.db2.gz QFBOBWFYGFBCFI-GFCCVEGCSA-N 1 0 317.349 1.305 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)n1 ZINC001128883031 848122261 /nfs/dbraw/zinc/12/22/61/848122261.db2.gz OZWJNJSNJYISAG-TZMCWYRMSA-N 1 0 318.377 1.997 20 5 DDBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1C[C@H]([NH3+])Cc2ccccc21 ZINC001155300134 861944259 /nfs/dbraw/zinc/94/42/59/861944259.db2.gz TULGNRHDENCTLY-GFCCVEGCSA-N 1 0 300.318 1.558 20 5 DDBDRO COC(=O)[C@@H](Nc1ccc2cccc([N+](=O)[O-])c2n1)C(C)(C)[NH3+] ZINC001155369167 862003115 /nfs/dbraw/zinc/00/31/15/862003115.db2.gz PSAZOKCKAMRCQH-CYBMUJFWSA-N 1 0 318.333 1.834 20 5 DDBDRO Cc1c[nH]cc1C(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001151025683 862582843 /nfs/dbraw/zinc/58/28/43/862582843.db2.gz QBSLAVXVVJVMPP-UHFFFAOYSA-N 1 0 302.334 1.751 20 5 DDBDRO CCC[N@@H+]1CC[C@H](NC(=O)c2cc(C)cc([N+](=O)[O-])c2N)C1 ZINC001328498509 863008968 /nfs/dbraw/zinc/00/89/68/863008968.db2.gz CFNDFCMMUODFCL-NSHDSACASA-N 1 0 306.366 1.700 20 5 DDBDRO CCn1c(CCC[N+](=O)[O-])nnc1N1CC[N@H+](C)C(C)(C)C1 ZINC001121758236 858587596 /nfs/dbraw/zinc/58/75/96/858587596.db2.gz JORLVQZLRCMFNI-UHFFFAOYSA-N 1 0 310.402 1.038 20 5 DDBDRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(C[N+](=O)[O-])n2CC)C1 ZINC001121792139 858598083 /nfs/dbraw/zinc/59/80/83/858598083.db2.gz RJXUXUHEOBNEKH-LBPRGKRZSA-N 1 0 310.402 1.243 20 5 DDBDRO O=C(COc1ccccc1[N+](=O)[O-])N1CC[C@]2(C1)CCCC[NH2+]2 ZINC001122242127 858722960 /nfs/dbraw/zinc/72/29/60/858722960.db2.gz XITPEFRGVBDYQF-INIZCTEOSA-N 1 0 319.361 1.718 20 5 DDBDRO C[C@@H](NC(=O)[C@@H]1C[N@@H+]2CCN1C[C@@H]2C)c1ccccc1[N+](=O)[O-] ZINC001123975901 859506483 /nfs/dbraw/zinc/50/64/83/859506483.db2.gz GUSQVLAMRAVGBN-ZOWXZIJZSA-N 1 0 318.377 1.160 20 5 DDBDRO CCCCOCC(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001125077811 859890029 /nfs/dbraw/zinc/89/00/29/859890029.db2.gz GQFCOKRIQSJOBU-UHFFFAOYSA-N 1 0 309.366 1.617 20 5 DDBDRO Cc1ccncc1C(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001125195389 859918140 /nfs/dbraw/zinc/91/81/40/859918140.db2.gz PIJCKIVMTXTUIC-UHFFFAOYSA-N 1 0 314.345 1.818 20 5 DDBDRO C[N+](C)(C)CCO[C@H]1CCCN(C(=O)c2cccnc2F)C1 ZINC001224772618 881528744 /nfs/dbraw/zinc/52/87/44/881528744.db2.gz BAGHJEQFAZAJFI-ZDUSSCGKSA-N 1 0 310.393 1.548 20 5 DDBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001141649552 860901821 /nfs/dbraw/zinc/90/18/21/860901821.db2.gz QGWCZLYURWZTLP-SNVBAGLBSA-N 1 0 309.370 1.422 20 5 DDBDRO CC(C)c1noc(CC[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC001325871022 860904674 /nfs/dbraw/zinc/90/46/74/860904674.db2.gz LLXBHKCYTTVWRL-CYBMUJFWSA-N 1 0 320.349 1.967 20 5 DDBDRO O=C(NCCC[NH2+]Cc1cnc(Cl)s1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157760622 864110549 /nfs/dbraw/zinc/11/05/49/864110549.db2.gz FUJPOEOLHUPZFL-RKDXNWHRSA-N 1 0 318.786 1.058 20 5 DDBDRO CN(C)c1ccccc1C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157761637 864111165 /nfs/dbraw/zinc/11/11/65/864111165.db2.gz VOGXTVFTVZLIKU-UKRRQHHQSA-N 1 0 320.393 1.014 20 5 DDBDRO CN1CCN(C(=[NH2+])Nc2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC001157914634 864254253 /nfs/dbraw/zinc/25/42/53/864254253.db2.gz CTVXDKXTOFCSRZ-UHFFFAOYSA-N 1 0 314.349 1.737 20 5 DDBDRO [NH3+][C@H]1CCc2nn(-c3ncnc4cc([N+](=O)[O-])ccc43)cc2C1 ZINC001157986868 864332839 /nfs/dbraw/zinc/33/28/39/864332839.db2.gz BDHHIHJBEGJJNJ-JTQLQIEISA-N 1 0 310.317 1.540 20 5 DDBDRO [NH3+]CCc1cnn(C(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)c1 ZINC001158096238 864425312 /nfs/dbraw/zinc/42/53/12/864425312.db2.gz PGHBOMOOKXNGAE-UHFFFAOYSA-N 1 0 317.683 1.939 20 5 DDBDRO [NH3+]CCc1cnn(-c2cc([N+](=O)[O-])cc3c(Cl)ncnc32)c1 ZINC001158106134 864431743 /nfs/dbraw/zinc/43/17/43/864431743.db2.gz VLFQTGKPAYLAJJ-UHFFFAOYSA-N 1 0 318.724 1.878 20 5 DDBDRO [NH3+]CCc1cnn(-c2ccc(-c3ccccc3[N+](=O)[O-])nn2)c1 ZINC001158106115 864432237 /nfs/dbraw/zinc/43/22/37/864432237.db2.gz UVHWBUKEIWWVJY-UHFFFAOYSA-N 1 0 310.317 1.739 20 5 DDBDRO CCOC(=O)C1(Nc2nccc(C)c2[N+](=O)[O-])CC[NH+](C)CC1 ZINC001158568619 864735702 /nfs/dbraw/zinc/73/57/02/864735702.db2.gz MYUYNTBEURERIG-UHFFFAOYSA-N 1 0 322.365 1.738 20 5 DDBDRO COc1nc(-n2cc(CC[NH3+])c3ncccc32)ccc1[N+](=O)[O-] ZINC001158745270 864877724 /nfs/dbraw/zinc/87/77/24/864877724.db2.gz DVFGRQOKKBFQCB-UHFFFAOYSA-N 1 0 313.317 1.839 20 5 DDBDRO COC(=O)c1cc(OC(=O)C[C@@H](O)C[N+](C)(C)C)ccc1C ZINC001225438915 881835348 /nfs/dbraw/zinc/83/53/48/881835348.db2.gz NLFZXHSEHITADO-GFCCVEGCSA-N 1 0 310.370 1.144 20 5 DDBDRO CN(CC[NH3+])CCNc1nc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001159439153 865294600 /nfs/dbraw/zinc/29/46/00/865294600.db2.gz LFKQYVNUGSVYBO-UHFFFAOYSA-N 1 0 308.169 1.599 20 5 DDBDRO COc1cnc(N2c3ccccc3OC[C@@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC001160200728 865724799 /nfs/dbraw/zinc/72/47/99/865724799.db2.gz SUUXVUMCSPRMEJ-JTQLQIEISA-N 1 0 316.317 1.856 20 5 DDBDRO COc1nc(N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)ncc1[N+](=O)[O-] ZINC001160465491 865861098 /nfs/dbraw/zinc/86/10/98/865861098.db2.gz IVXKYQFTBJCHLI-RTCCRHLQSA-N 1 0 307.354 1.821 20 5 DDBDRO Nc1nc(N[C@@H]2CC[NH2+]C[C@H]2C(F)(F)F)ccc1[N+](=O)[O-] ZINC001160736627 866086181 /nfs/dbraw/zinc/08/61/81/866086181.db2.gz DIUZEOFOJNNSEX-RNFRBKRXSA-N 1 0 305.260 1.524 20 5 DDBDRO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@@H]3CCC4(COC4)O3)CC2)n1 ZINC001333036830 866360135 /nfs/dbraw/zinc/36/01/35/866360135.db2.gz JYAMIJGWAVJOBD-ZDUSSCGKSA-N 1 0 322.365 1.376 20 5 DDBDRO CC1(C)C[NH2+]C[C@H](CNc2ncnc3ccc([N+](=O)[O-])cc32)O1 ZINC001161954231 867139093 /nfs/dbraw/zinc/13/90/93/867139093.db2.gz QFIAKZYWCRFTJQ-LLVKDONJSA-N 1 0 317.349 1.717 20 5 DDBDRO [NH3+]Cc1nc2cnccc2n1-c1cc([N+](=O)[O-])cc(Cl)[n+]1[O-] ZINC001162216135 867348126 /nfs/dbraw/zinc/34/81/26/867348126.db2.gz ZNOCRTRPKDGTND-UHFFFAOYSA-N 1 0 320.696 1.074 20 5 DDBDRO CC(=O)N1CCc2cc(NC[C@@H]3C[C@H](F)C[NH2+]3)cc([N+](=O)[O-])c21 ZINC001162481999 867566477 /nfs/dbraw/zinc/56/64/77/867566477.db2.gz YPPIIGYXOOIAQK-AAEUAGOBSA-N 1 0 322.340 1.616 20 5 DDBDRO CC(=O)Nc1ccc(N[C@@H]2COCCC23C[NH2+]C3)cc1[N+](=O)[O-] ZINC001163078411 868061228 /nfs/dbraw/zinc/06/12/28/868061228.db2.gz AEWMJCAYDUPTFM-CQSZACIVSA-N 1 0 320.349 1.344 20 5 DDBDRO CNc1cc([N+](=O)[O-])cnc1NCc1noc2c1C[NH2+]CC2 ZINC001163130385 868137057 /nfs/dbraw/zinc/13/70/57/868137057.db2.gz ZNPRWWYBOOYSCC-UHFFFAOYSA-N 1 0 304.310 1.277 20 5 DDBDRO O=[N+]([O-])c1c(N[C@@H]2C[NH2+][C@@H]3COC[C@H]23)ccc2ncccc21 ZINC001163146314 868158059 /nfs/dbraw/zinc/15/80/59/868158059.db2.gz MKSINDCLJOLWTN-LERXQTSPSA-N 1 0 300.318 1.542 20 5 DDBDRO O=[N+]([O-])c1cccc2c1ccnc2NC[C@]12C[NH2+]C[C@H]1COC2 ZINC001163147944 868160048 /nfs/dbraw/zinc/16/00/48/868160048.db2.gz UVZHNCVEJUCEAD-ZBEGNZNMSA-N 1 0 314.345 1.791 20 5 DDBDRO O=[N+]([O-])c1cncc(Cl)c1NC[C@@H]1OC[C@H]2C[NH2+]CC[C@H]21 ZINC001163169905 868182062 /nfs/dbraw/zinc/18/20/62/868182062.db2.gz AOKMGLBTSVPONL-LNLATYFQSA-N 1 0 312.757 1.102 20 5 DDBDRO NC(=O)c1cc([N+](=O)[O-])cnc1N[C@H]1C[NH2+]Cc2ccsc21 ZINC001163220734 868228334 /nfs/dbraw/zinc/22/83/34/868228334.db2.gz VAFYDASZFBAHPE-JTQLQIEISA-N 1 0 319.346 1.407 20 5 DDBDRO O=C(NCc1cccc([N+](=O)[O-])c1)NC1(C2CC[NH2+]CC2)CC1 ZINC001335380631 868260629 /nfs/dbraw/zinc/26/06/29/868260629.db2.gz HHVBDKKZOXMRET-UHFFFAOYSA-N 1 0 318.377 1.926 20 5 DDBDRO O=C1C[C@@H]2[NH2+]CC[C@@]2(Nc2ccc([N+](=O)[O-])c3ccccc23)N1 ZINC001163254532 868264182 /nfs/dbraw/zinc/26/41/82/868264182.db2.gz SEPHYTQYMIAQHY-GOEBONIOSA-N 1 0 312.329 1.738 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cccc2c1CCCC2=O ZINC001226042645 882176586 /nfs/dbraw/zinc/17/65/86/882176586.db2.gz GTFVVJGUDZCMFU-GFCCVEGCSA-N 1 0 306.382 1.568 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)c(F)cnc2N[C@H]1C[NH2+][C@@H]2CCO[C@@H]21 ZINC001163336080 868364198 /nfs/dbraw/zinc/36/41/98/868364198.db2.gz BDZVXTOVLRBMID-RDBSUJKOSA-N 1 0 318.308 1.823 20 5 DDBDRO CC[NH2+]CCCNC(=O)NC[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001335687461 868478787 /nfs/dbraw/zinc/47/87/87/868478787.db2.gz SCDHUSOKDWNVHG-LBPRGKRZSA-N 1 0 308.382 1.997 20 5 DDBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N(C)CCC[NH+](C)C)n1 ZINC001163600443 868559963 /nfs/dbraw/zinc/55/99/63/868559963.db2.gz IQXMJBQESBFVOS-UHFFFAOYSA-N 1 0 310.358 1.040 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2C[C@@]2(F)c2ccccc2)c1 ZINC001335986706 868663874 /nfs/dbraw/zinc/66/38/74/868663874.db2.gz PCQYNEDDDSCNPX-RBSFLKMASA-N 1 0 320.324 1.379 20 5 DDBDRO CC1(C)C[NH2+]C[C@H]1NC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC001336771972 869133091 /nfs/dbraw/zinc/13/30/91/869133091.db2.gz GHBBTWZYUQTNLW-CYBMUJFWSA-N 1 0 306.366 1.435 20 5 DDBDRO COC(=O)c1ccnc(N2C[C@H](C[NH3+])CC[C@@H]2C)c1[N+](=O)[O-] ZINC001164466932 869211686 /nfs/dbraw/zinc/21/16/86/869211686.db2.gz CMIHNMQJSHMORH-UWVGGRQHSA-N 1 0 308.338 1.340 20 5 DDBDRO [NH3+]C1CC2(C1)CCN(c1ncc([N+](=O)[O-])cc1[N+](=O)[O-])CC2 ZINC001165243729 869460245 /nfs/dbraw/zinc/46/02/45/869460245.db2.gz PHJWRSRBDCZRIS-UHFFFAOYSA-N 1 0 307.310 1.606 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CCC(F)(C[NH3+])CC2)n1 ZINC001165263549 869478287 /nfs/dbraw/zinc/47/82/87/869478287.db2.gz BSCZRAWBRHYBLX-UHFFFAOYSA-N 1 0 312.301 1.044 20 5 DDBDRO O=[N+]([O-])c1cc(N2CC[C@@H]3[NH2+]CCO[C@H]3C2)nc2[nH]ccc21 ZINC001165270611 869482131 /nfs/dbraw/zinc/48/21/31/869482131.db2.gz HMOGRBVOOKEHPX-JQWIXIFHSA-N 1 0 303.322 1.038 20 5 DDBDRO [NH3+][C@@]12C[C@@H]1CCN(c1ccc(-c3ccccc3[N+](=O)[O-])nn1)C2 ZINC001165329359 869521355 /nfs/dbraw/zinc/52/13/55/869521355.db2.gz MAWUGFQRXKKLLH-MEDUHNTESA-N 1 0 311.345 1.979 20 5 DDBDRO COc1cc(C)nc(N2C[C@H](C3([NH3+])CC3)[C@H](CF)C2)c1[N+](=O)[O-] ZINC001165431338 869595164 /nfs/dbraw/zinc/59/51/64/869595164.db2.gz POMMKDKRKKLHDU-MNOVXSKESA-N 1 0 324.356 1.820 20 5 DDBDRO COCc1nn(-c2cc(Cl)cc([N+](=O)[O-])n2)c2c1C[NH2+]C2 ZINC001165631802 869660096 /nfs/dbraw/zinc/66/00/96/869660096.db2.gz HJZLQWUFIZWAGF-UHFFFAOYSA-N 1 0 309.713 1.579 20 5 DDBDRO [NH3+]CCc1nccn1-c1ccc(-c2cccc([N+](=O)[O-])c2)nn1 ZINC001166299163 869944701 /nfs/dbraw/zinc/94/47/01/869944701.db2.gz JFOHTNOWBIQVON-UHFFFAOYSA-N 1 0 310.317 1.739 20 5 DDBDRO COC(=O)c1cc(OC)c(O[C@H](C)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC001226362417 882387899 /nfs/dbraw/zinc/38/78/99/882387899.db2.gz RZUWBSNCXQNGJT-SECBINFHSA-N 1 0 312.322 1.719 20 5 DDBDRO [NH3+]C[C@H]1CN(c2cc3ncnc(Cl)c3cc2[N+](=O)[O-])CCO1 ZINC001166938236 870398902 /nfs/dbraw/zinc/39/89/02/870398902.db2.gz UYDMQRQQJAVUJS-QMMMGPOBSA-N 1 0 323.740 1.355 20 5 DDBDRO COC(=O)C1(Nc2ccc3nc[nH]c3c2[N+](=O)[O-])CC[NH2+]CC1 ZINC001166967789 870431631 /nfs/dbraw/zinc/43/16/31/870431631.db2.gz LXKPBDYTFPWRHW-UHFFFAOYSA-N 1 0 319.321 1.178 20 5 DDBDRO CCC[NH+]1CCC(N(C)c2nnc(C[N+](=O)[O-])n2CC)CC1 ZINC001340112260 870897722 /nfs/dbraw/zinc/89/77/22/870897722.db2.gz CNLVZRLGGQWGMI-UHFFFAOYSA-N 1 0 310.402 1.385 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)[NH2+][C@@H]2CCCOCC2)cc1 ZINC001308932603 871538903 /nfs/dbraw/zinc/53/89/03/871538903.db2.gz ZRZGHAOSANOYHW-BPLDGKMQSA-N 1 0 310.350 1.148 20 5 DDBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1COC2(C[NH2+]C2)C1 ZINC001341368686 871624228 /nfs/dbraw/zinc/62/42/28/871624228.db2.gz OWVBIBAPFZJSAX-VIFPVBQESA-N 1 0 323.374 1.177 20 5 DDBDRO [NH3+][C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C(F)(F)F ZINC001341694993 871779566 /nfs/dbraw/zinc/77/95/66/871779566.db2.gz CELGCSKYEHARAY-NXEZZACHSA-N 1 0 303.240 1.556 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC001341696801 871780266 /nfs/dbraw/zinc/78/02/66/871780266.db2.gz OQPHNXRCJUTQCJ-GHMZBOCLSA-N 1 0 317.267 1.865 20 5 DDBDRO [NH3+]C[C@@H]1CC[C@H](NC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC001341797816 871830278 /nfs/dbraw/zinc/83/02/78/871830278.db2.gz NRBRUFOQKYLUOA-DZGBDDFRSA-N 1 0 303.362 1.942 20 5 DDBDRO CC[NH+](CC)C1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC001318621044 872172227 /nfs/dbraw/zinc/17/22/27/872172227.db2.gz QYWKBJDXLOMMNZ-UHFFFAOYSA-N 1 0 309.370 1.124 20 5 DDBDRO CCOc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)cc1[N+](=O)[O-] ZINC001343057069 872487020 /nfs/dbraw/zinc/48/70/20/872487020.db2.gz UWYYJRXCPSQICA-QJPTWQEYSA-N 1 0 305.334 1.616 20 5 DDBDRO O=C(CCc1ncc[nH]1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC001346624863 873828742 /nfs/dbraw/zinc/82/87/42/873828742.db2.gz YLKNLBNDZYQHSU-UHFFFAOYSA-N 1 0 318.337 1.311 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ncnc(Cl)c1Cl ZINC001227040065 882791652 /nfs/dbraw/zinc/79/16/52/882791652.db2.gz ZPKRNMFBYRHGPE-SSDOTTSWSA-N 1 0 309.173 1.146 20 5 DDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC001347938565 874311795 /nfs/dbraw/zinc/31/17/95/874311795.db2.gz CATJOWPRPUGPHY-BONVTDFDSA-N 1 0 304.350 1.590 20 5 DDBDRO Cn1cc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)n1 ZINC001349839452 875402911 /nfs/dbraw/zinc/40/29/11/875402911.db2.gz DMJMXOXAAIXJFT-SDDRHHMPSA-N 1 0 321.381 1.131 20 5 DDBDRO C[NH2+]C[C@H]1CCCCN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC001349849319 875409213 /nfs/dbraw/zinc/40/92/13/875409213.db2.gz KSAYUEDVURHTBH-GFCCVEGCSA-N 1 0 307.350 1.574 20 5 DDBDRO Cc1ccc(Cl)cc1C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001353241433 877208414 /nfs/dbraw/zinc/20/84/14/877208414.db2.gz RHKCQJGYQJVMEM-CQSZACIVSA-N 1 0 324.768 1.904 20 5 DDBDRO COC[C@H]1C[NH2+]CCN1C(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001353448656 877340376 /nfs/dbraw/zinc/34/03/76/877340376.db2.gz NVUIGYFUAOSODT-NWDGAFQWSA-N 1 0 322.365 1.286 20 5 DDBDRO O=[N+]([O-])C[C@H](OC[C@H]1C[C@@H]2CC[NH2+]C[C@@H]2O1)c1cccnc1 ZINC001217864558 877341994 /nfs/dbraw/zinc/34/19/94/877341994.db2.gz FVVKXQBUOVPJNH-ATGSNQNLSA-N 1 0 307.350 1.183 20 5 DDBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@H]1[C@@H]3CC[NH2+]C[C@@H]31)CC2 ZINC001353844453 877606211 /nfs/dbraw/zinc/60/62/11/877606211.db2.gz NRKHIHGBZLBYRP-XUJVJEKNSA-N 1 0 301.346 1.648 20 5 DDBDRO COC(=O)c1ccnc(N(C)CCCC[NH+](C)C)c1[N+](=O)[O-] ZINC001472868937 878303725 /nfs/dbraw/zinc/30/37/25/878303725.db2.gz CEGANWYLPRRVII-UHFFFAOYSA-N 1 0 310.354 1.554 20 5 DDBDRO COc1cc(C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001355094612 878422240 /nfs/dbraw/zinc/42/22/40/878422240.db2.gz MXOYLGIPIBOXCS-NWDGAFQWSA-N 1 0 305.334 1.285 20 5 DDBDRO COC(=O)c1cccc([N+](=O)[O-])c1CO[C@@H](C)C[N+](C)(C)C ZINC001222778367 880694708 /nfs/dbraw/zinc/69/47/08/880694708.db2.gz WJRSKQQAADWZRF-NSHDSACASA-N 1 0 311.358 1.993 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)OCc1ccc2nccnc2c1 ZINC001223936424 881152584 /nfs/dbraw/zinc/15/25/84/881152584.db2.gz PDKVIIYOGIVWQY-CYBMUJFWSA-N 1 0 304.370 1.130 20 5 DDBDRO N[C@@H](c1nc(-c2ncc(F)cc2[N+](=O)[O-])no1)C1CC[NH2+]CC1 ZINC001249327760 893932850 /nfs/dbraw/zinc/93/28/50/893932850.db2.gz QLXVNEXIEKCGGO-SNVBAGLBSA-N 1 0 322.300 1.178 20 5 DDBDRO [NH3+]C[C@@H]1CN(C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCO1 ZINC001254466170 896453689 /nfs/dbraw/zinc/45/36/89/896453689.db2.gz WLYJRJZEXBTIHZ-MRXNPFEDSA-N 1 0 320.393 1.223 20 5 DDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CC[NH+](CCCO)CC1 ZINC001254552019 896499591 /nfs/dbraw/zinc/49/95/91/896499591.db2.gz IBZHQQPBHJVXKS-AWEZNQCLSA-N 1 0 307.394 1.526 20 5 DDBDRO O=C(CC[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)N1CCCC1 ZINC001254584279 896515640 /nfs/dbraw/zinc/51/56/40/896515640.db2.gz RHEXXKWETMMAJD-AWEZNQCLSA-N 1 0 303.362 1.664 20 5 DDBDRO CS(=O)(=O)[C@@H]1CCCN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254606849 896527682 /nfs/dbraw/zinc/52/76/82/896527682.db2.gz IQMCOVRGJGETKP-HUUCEWRRSA-N 1 0 324.402 1.571 20 5 DDBDRO C[C@@H](C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)N1CCCCC1=O ZINC001262572756 900254950 /nfs/dbraw/zinc/25/49/50/900254950.db2.gz CPELQQODHMSLKU-SWLSCSKDSA-N 1 0 321.377 1.619 20 5 DDBDRO C[C@@H]1C[NH2+]C[C@H]1NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC001263186645 900525039 /nfs/dbraw/zinc/52/50/39/900525039.db2.gz KKQVQKOCWDKSFA-RDDDGLTNSA-N 1 0 315.732 1.654 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC001263213850 900535874 /nfs/dbraw/zinc/53/58/74/900535874.db2.gz DRSUWNBOXGTWMT-WDEREUQCSA-N 1 0 307.350 1.660 20 5 DDBDRO COCC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001263823791 900740849 /nfs/dbraw/zinc/74/08/49/900740849.db2.gz XEMXOCMFVNYVMA-BETUJISGSA-N 1 0 307.350 1.226 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CC[C@@H]2C[N@@H+](C)C[C@H]12 ZINC001263980014 900853566 /nfs/dbraw/zinc/85/35/66/900853566.db2.gz LEJBWASZLQXSAR-BYCMXARLSA-N 1 0 303.362 1.973 20 5 DDBDRO O=C(CCCF)N[C@@H]1[C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC001265720857 902341317 /nfs/dbraw/zinc/34/13/17/902341317.db2.gz VSXZXZTYCTUJMT-FOLVSLTJSA-N 1 0 321.352 1.891 20 5 DDBDRO C[N@@H+]1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)C[C@H]1C(C)(C)C ZINC001307195213 915849792 /nfs/dbraw/zinc/84/97/92/915849792.db2.gz BMSLHZSNVFMCMH-LBPRGKRZSA-N 1 0 321.381 1.255 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](O)COCC1CC1 ZINC000449115945 230581247 /nfs/dbraw/zinc/58/12/47/230581247.db2.gz JIJJHTVDPDBUBT-DOMZBBRYSA-N 1 0 308.378 1.903 20 5 DDBDRO Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CO2 ZINC000563529884 303959059 /nfs/dbraw/zinc/95/90/59/303959059.db2.gz KBGHUANIKFHOPT-OCCSQVGLSA-N 1 0 318.333 1.184 20 5 DDBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@@]2(CCO)CCOC2)c1 ZINC000278500410 214193983 /nfs/dbraw/zinc/19/39/83/214193983.db2.gz NPUFPIHDNOMHRE-ZDUSSCGKSA-N 1 0 300.742 1.879 20 5 DDBDRO CCc1n[nH]c(C(=O)NCC2CC[NH+](C3CC3)CC2)c1[N+](=O)[O-] ZINC000278516692 214206906 /nfs/dbraw/zinc/20/69/06/214206906.db2.gz KRIXVHHXYSKBEC-UHFFFAOYSA-N 1 0 321.381 1.485 20 5 DDBDRO CC[C@@H]([NH3+])CNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000295212990 529557531 /nfs/dbraw/zinc/55/75/31/529557531.db2.gz LUNGMCQIROSFHX-SNVBAGLBSA-N 1 0 315.757 1.871 20 5 DDBDRO CC1(C)C[NH2+]CCN1S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000088139264 185240214 /nfs/dbraw/zinc/24/02/14/185240214.db2.gz LIUUJDHGDUZLCE-UHFFFAOYSA-N 1 0 313.379 1.108 20 5 DDBDRO C[NH+](C)C[C@H]1CN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])CCO1 ZINC000255379647 282252432 /nfs/dbraw/zinc/25/24/32/282252432.db2.gz YTVLYEUKMLPIJE-DANTVBBOSA-N 1 0 319.361 1.397 20 5 DDBDRO Cc1nn(C)c(N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000488736618 282270892 /nfs/dbraw/zinc/27/08/92/282270892.db2.gz VIZKZPOXXSEUNP-DMDPSCGWSA-N 1 0 307.398 1.803 20 5 DDBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000299295498 530057135 /nfs/dbraw/zinc/05/71/35/530057135.db2.gz CREWJXFWCYRLIL-CQSZACIVSA-N 1 0 316.361 1.760 20 5 DDBDRO C[N@@H+]1CCC[C@H](CCNc2ncc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000413435751 530061091 /nfs/dbraw/zinc/06/10/91/530061091.db2.gz HUUDEMWASVCBMM-SNVBAGLBSA-N 1 0 307.354 1.233 20 5 DDBDRO C[C@H](NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)C1=CC[N@H+](C)CC1 ZINC000330762361 232050355 /nfs/dbraw/zinc/05/03/55/232050355.db2.gz HTBRHCQMVTVMAN-NSHDSACASA-N 1 0 321.381 1.293 20 5 DDBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCN1CCC1 ZINC000358334454 299123903 /nfs/dbraw/zinc/12/39/03/299123903.db2.gz YTGLSDSTYHLHDY-LBPRGKRZSA-N 1 0 306.366 1.607 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000068467623 190769565 /nfs/dbraw/zinc/76/95/65/190769565.db2.gz GWXADKONSMYOLK-UHFFFAOYSA-N 1 0 321.381 1.187 20 5 DDBDRO Cc1ccc(C[N@H+](CCO)CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000181979367 199370662 /nfs/dbraw/zinc/37/06/62/199370662.db2.gz JWIUVPUNIDBEKR-UHFFFAOYSA-N 1 0 304.350 1.594 20 5 DDBDRO CC1(CNC(=O)COc2ccc([N+](=O)[O-])cc2)CC[NH2+]CC1 ZINC000183319636 199573465 /nfs/dbraw/zinc/57/34/65/199573465.db2.gz ZQYBYMBLCDDQCY-UHFFFAOYSA-N 1 0 307.350 1.480 20 5 DDBDRO C[C@H](O)C[C@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000279671849 215050562 /nfs/dbraw/zinc/05/05/62/215050562.db2.gz DLYXIGJOPYGWIV-QWHCGFSZSA-N 1 0 309.366 1.382 20 5 DDBDRO CC1(C)CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)CCS1 ZINC000279679085 215056450 /nfs/dbraw/zinc/05/64/50/215056450.db2.gz GIRHAZQZTXQCLO-UHFFFAOYSA-N 1 0 311.407 1.974 20 5 DDBDRO C[C@@H](C[NH+](C)C)NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000286906462 219220337 /nfs/dbraw/zinc/22/03/37/219220337.db2.gz HHZAACJLHGCKAR-NSHDSACASA-N 1 0 304.350 1.616 20 5 DDBDRO CC[C@@]1([NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CCOC1 ZINC000616865551 362851657 /nfs/dbraw/zinc/85/16/57/362851657.db2.gz VHXURQHIZKKVEF-OAHLLOKOSA-N 1 0 307.350 1.716 20 5 DDBDRO C[NH+](C)C[C@]1(O)CCCN(C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000601224893 358454748 /nfs/dbraw/zinc/45/47/48/358454748.db2.gz IWUGVIHKUPYCLX-OAHLLOKOSA-N 1 0 322.365 1.515 20 5 DDBDRO C[N@H+](CCNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C1CC1 ZINC000139425421 186022540 /nfs/dbraw/zinc/02/25/40/186022540.db2.gz FTELZWTUGKKPBN-UHFFFAOYSA-N 1 0 317.342 1.106 20 5 DDBDRO CC(C)C[NH+]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000159688871 186135633 /nfs/dbraw/zinc/13/56/33/186135633.db2.gz LLEKRYDAEXZZKS-UHFFFAOYSA-N 1 0 308.382 1.030 20 5 DDBDRO C[C@H]1[NH2+]CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1C ZINC000262880909 186318502 /nfs/dbraw/zinc/31/85/02/186318502.db2.gz VXKFNTHHPTUOST-NXEZZACHSA-N 1 0 311.769 2.000 20 5 DDBDRO O=C(Cn1cc([N+](=O)[O-])cn1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000172495623 198105896 /nfs/dbraw/zinc/10/58/96/198105896.db2.gz BDKWFBARIYMFES-CYBMUJFWSA-N 1 0 321.381 1.268 20 5 DDBDRO NC(=O)[C@@H]([NH2+]CCNc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000027041425 352214395 /nfs/dbraw/zinc/21/43/95/352214395.db2.gz NPKZLRQJRXBTGC-HNNXBMFYSA-N 1 0 314.345 1.823 20 5 DDBDRO C[C@@H]1C[N@@H+](CCCNC(=O)c2cc([N+](=O)[O-])c[nH]2)C[C@H](C)O1 ZINC000042811739 352352735 /nfs/dbraw/zinc/35/27/35/352352735.db2.gz FDKCRWQXRKBTMK-PHIMTYICSA-N 1 0 310.354 1.152 20 5 DDBDRO COc1ccc(C(=O)NC[C@@H](C)[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000046408602 352451479 /nfs/dbraw/zinc/45/14/79/352451479.db2.gz LGTDVIHROVXEGB-LLVKDONJSA-N 1 0 307.350 1.818 20 5 DDBDRO C[N@@H+]1CCC[C@H](NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000060410931 352871951 /nfs/dbraw/zinc/87/19/51/352871951.db2.gz WAXTXPMVWMUMIV-NSHDSACASA-N 1 0 302.334 1.900 20 5 DDBDRO Cc1cccc(C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)c1[N+](=O)[O-] ZINC000064333969 352933552 /nfs/dbraw/zinc/93/35/52/352933552.db2.gz LZKAHZGMXOUWRT-STQMWFEESA-N 1 0 319.361 1.496 20 5 DDBDRO CC(=O)NC[C@H]1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000067413202 353047836 /nfs/dbraw/zinc/04/78/36/353047836.db2.gz GDYCPJAYVACURP-CQSZACIVSA-N 1 0 321.377 1.822 20 5 DDBDRO C[NH+](C)C(C)(C)CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000070881599 353184758 /nfs/dbraw/zinc/18/47/58/353184758.db2.gz SEQITOXYMVXION-UHFFFAOYSA-N 1 0 323.349 1.436 20 5 DDBDRO O=C(/C=C\c1cccc([N+](=O)[O-])c1)N1CC[NH+]2CCC1CC2 ZINC000492004794 234357483 /nfs/dbraw/zinc/35/74/83/234357483.db2.gz CFRZACRTWDKNOA-PLNGDYQASA-N 1 0 301.346 1.915 20 5 DDBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](CCOCCO)CC2)cc1 ZINC000174243547 198309993 /nfs/dbraw/zinc/30/99/93/198309993.db2.gz ZZFUAQJKECJURS-UHFFFAOYSA-N 1 0 310.350 1.447 20 5 DDBDRO COc1cc(C(=O)N2CC[C@@H]3CC[C@H](C2)[N@@H+]3C)ccc1[N+](=O)[O-] ZINC000174641527 198363382 /nfs/dbraw/zinc/36/33/82/198363382.db2.gz WALCYYJUIWRPAJ-QWHCGFSZSA-N 1 0 319.361 1.912 20 5 DDBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNc2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000076800569 353439085 /nfs/dbraw/zinc/43/90/85/353439085.db2.gz POHPUKSGYRAKNO-PHIMTYICSA-N 1 0 308.386 1.747 20 5 DDBDRO Cn1ccnc1[C@@H](N[C@H]1C[C@@H](CO)C1)c1ccc([N+](=O)[O-])cc1 ZINC000601291478 358480559 /nfs/dbraw/zinc/48/05/59/358480559.db2.gz KQRHMNTXMFXBEY-LNSITVRQSA-N 1 0 316.361 1.778 20 5 DDBDRO Cc1cnc(NC2CC[NH+]([C@@H]3CCOC3)CC2)c([N+](=O)[O-])c1 ZINC000089602810 353776636 /nfs/dbraw/zinc/77/66/36/353776636.db2.gz GDTMEEMXTOWAKG-CYBMUJFWSA-N 1 0 306.366 1.963 20 5 DDBDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000345840115 283002878 /nfs/dbraw/zinc/00/28/78/283002878.db2.gz HBEDFGBYRASSCU-NEPJUHHUSA-N 1 0 307.350 1.608 20 5 DDBDRO CCOC(=O)CC[C@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000161896808 354244137 /nfs/dbraw/zinc/24/41/37/354244137.db2.gz OOZDCDBJHSJWGU-CYBMUJFWSA-N 1 0 324.381 1.847 20 5 DDBDRO CC[N@H+](C)C[C@H](O)COc1ccc([N+](=O)[O-])c2ncccc12 ZINC000320555842 354528100 /nfs/dbraw/zinc/52/81/00/354528100.db2.gz KMCGRARFCWNMID-NSHDSACASA-N 1 0 305.334 1.834 20 5 DDBDRO CC[N@@H+]1CCN(c2cc(C(=O)OC)ccc2[N+](=O)[O-])C[C@H]1C ZINC000317558078 354511929 /nfs/dbraw/zinc/51/19/29/354511929.db2.gz MZEAMPRZEAHDFK-LLVKDONJSA-N 1 0 307.350 1.912 20 5 DDBDRO C[C@@H](NC(=O)NC[C@@]1(O)CC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000358668486 299218393 /nfs/dbraw/zinc/21/83/93/299218393.db2.gz XNRIFYZIDPGCGH-ABAIWWIYSA-N 1 0 322.365 1.022 20 5 DDBDRO Cc1ccc(C[NH2+][C@H]2CCN(S(C)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000400236364 354661013 /nfs/dbraw/zinc/66/10/13/354661013.db2.gz VBLWDMYVMZHJJX-LBPRGKRZSA-N 1 0 313.379 1.027 20 5 DDBDRO [NH3+]C[C@@H](NC(=O)c1c(Cl)cccc1[N+](=O)[O-])C(F)(F)F ZINC000401759773 354667054 /nfs/dbraw/zinc/66/70/54/354667054.db2.gz UIEKVFCEJXZCDZ-SSDOTTSWSA-N 1 0 311.647 1.868 20 5 DDBDRO COc1cc(C(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)cc([N+](=O)[O-])c1C ZINC000590047190 355044960 /nfs/dbraw/zinc/04/49/60/355044960.db2.gz XDJJTURWRTUFNN-RISCZKNCSA-N 1 0 319.361 1.688 20 5 DDBDRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000590446887 355099644 /nfs/dbraw/zinc/09/96/44/355099644.db2.gz WVSFCDSZUZUFFU-JSGCOSHPSA-N 1 0 319.361 1.526 20 5 DDBDRO CC[C@H]1[C@H](CO)CC[N@@H+]1Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000590655894 355138989 /nfs/dbraw/zinc/13/89/89/355138989.db2.gz CRLUBNDLXSHCSK-JSGCOSHPSA-N 1 0 322.361 1.974 20 5 DDBDRO O=C1NCCC[C@@H]1C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000591245260 355271444 /nfs/dbraw/zinc/27/14/44/355271444.db2.gz UVLRVKDQYDKANT-AGIUHOORSA-N 1 0 321.381 1.391 20 5 DDBDRO C[C@@H]([NH3+])[C@H]1CN(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000591344137 355293468 /nfs/dbraw/zinc/29/34/68/355293468.db2.gz JXMGJNJITJPWCT-UHIISALHSA-N 1 0 322.365 1.413 20 5 DDBDRO C[C@H]([NH3+])CNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000591356411 355299114 /nfs/dbraw/zinc/29/91/14/355299114.db2.gz VTQWIELIIQGJLU-QMMMGPOBSA-N 1 0 300.746 1.437 20 5 DDBDRO C[C@@H]([NH3+])CNC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000591361372 355301772 /nfs/dbraw/zinc/30/17/72/355301772.db2.gz XLKYOOIFEUBCJD-YPMHNXCESA-N 1 0 306.366 1.831 20 5 DDBDRO CCOC(=O)c1ccnc(N2CC[C@@H]3CC[NH2+][C@@H]3C2)c1[N+](=O)[O-] ZINC000591439018 355311136 /nfs/dbraw/zinc/31/11/36/355311136.db2.gz QLDXNMAUESVDAC-CMPLNLGQSA-N 1 0 320.349 1.355 20 5 DDBDRO COC(=O)c1cc(N2CC[C@H]3CC[NH2+][C@H]3C2)cc(C)c1[N+](=O)[O-] ZINC000591438180 355311201 /nfs/dbraw/zinc/31/12/01/355311201.db2.gz MONQPICCPFSTGW-RISCZKNCSA-N 1 0 319.361 1.878 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000591288796 355280137 /nfs/dbraw/zinc/28/01/37/355280137.db2.gz PBGDYSAVWUEUEM-AAEUAGOBSA-N 1 0 322.365 1.792 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)n1 ZINC000592255402 355547859 /nfs/dbraw/zinc/54/78/59/355547859.db2.gz KDGKJZMRALCGNM-NWDGAFQWSA-N 1 0 321.381 1.273 20 5 DDBDRO O=c1c([N+](=O)[O-])cc(Br)cn1C[C@H]1CC[NH2+]C1 ZINC000592162332 355522296 /nfs/dbraw/zinc/52/22/96/355522296.db2.gz WPNNEOPNXFMRKB-ZETCQYMHSA-N 1 0 302.128 1.129 20 5 DDBDRO COC(=O)[C@@H]1C[NH2+]CCCN1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000592435278 355583623 /nfs/dbraw/zinc/58/36/23/355583623.db2.gz SFIHUCMJWXLWNN-QZDDGCDVSA-N 1 0 319.361 1.445 20 5 DDBDRO COC(=O)c1cc(C(=O)N[C@@H](C)C[C@H](C)[NH3+])cc([N+](=O)[O-])c1 ZINC000592568526 355632095 /nfs/dbraw/zinc/63/20/95/355632095.db2.gz VQALRRUGCKKDIS-IUCAKERBSA-N 1 0 309.322 1.237 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000592569068 355632594 /nfs/dbraw/zinc/63/25/94/355632594.db2.gz YEWPNPPLGBGWME-GFCCVEGCSA-N 1 0 321.381 1.281 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@H]2COCC2(C)C)c1 ZINC000593031004 355775516 /nfs/dbraw/zinc/77/55/16/355775516.db2.gz WDROIVPLCIGFAP-ZDUSSCGKSA-N 1 0 308.334 1.896 20 5 DDBDRO CCn1cc(C[N@H+](CCn2cc([N+](=O)[O-])cn2)C(C)C)cn1 ZINC000593081615 355789289 /nfs/dbraw/zinc/78/92/89/355789289.db2.gz UBBKTBXQXMTVFY-UHFFFAOYSA-N 1 0 306.370 1.918 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)nccc2N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000593502946 355905761 /nfs/dbraw/zinc/90/57/61/355905761.db2.gz FYDOTWIWIYXROY-CYBMUJFWSA-N 1 0 314.345 1.398 20 5 DDBDRO Cc1c(NC(=O)CCN2C[C@@H]3C[C@H]2C[NH2+]3)cccc1[N+](=O)[O-] ZINC000601327458 358499537 /nfs/dbraw/zinc/49/95/37/358499537.db2.gz RGLMBQRRDLZZIY-RYUDHWBXSA-N 1 0 304.350 1.278 20 5 DDBDRO CCO[C@@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@H]1C[NH3+] ZINC000593759257 355989065 /nfs/dbraw/zinc/98/90/65/355989065.db2.gz VKJRSHBCYMUILJ-BXUZGUMPSA-N 1 0 322.365 1.731 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)CC[NH+]1CCCCC1 ZINC000593882400 356039976 /nfs/dbraw/zinc/03/99/76/356039976.db2.gz FSUDEUCQHDHMSX-UHFFFAOYSA-N 1 0 323.397 1.434 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)c1 ZINC000594103057 356114104 /nfs/dbraw/zinc/11/41/04/356114104.db2.gz UZDYEBJQYBXNJZ-PHIMTYICSA-N 1 0 307.350 1.673 20 5 DDBDRO CC(C)OC(=O)C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)C(C)C ZINC000594042476 356097165 /nfs/dbraw/zinc/09/71/65/356097165.db2.gz FMWRECFGGIHJFY-ZDUSSCGKSA-N 1 0 312.370 1.747 20 5 DDBDRO Cc1[nH+]c2c(n1C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CCCC2 ZINC000594714309 356293950 /nfs/dbraw/zinc/29/39/50/356293950.db2.gz MHVJSLNDUBJOEX-GFCCVEGCSA-N 1 0 305.338 1.236 20 5 DDBDRO O=C1CC[C@@H](C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)N1 ZINC000595090958 356381217 /nfs/dbraw/zinc/38/12/17/356381217.db2.gz QBAXHWIBTCWXHW-SRVKXCTJSA-N 1 0 307.354 1.143 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC1([NH3+])CCCC1 ZINC000595120175 356385792 /nfs/dbraw/zinc/38/57/92/356385792.db2.gz QFBVFHUHSCCYSF-UHFFFAOYSA-N 1 0 313.379 1.453 20 5 DDBDRO Cc1cc(NC(=O)C(=O)NCC[C@@H](C)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000595125232 356386831 /nfs/dbraw/zinc/38/68/31/356386831.db2.gz KUOPXKBCLKZFQR-LLVKDONJSA-N 1 0 322.365 1.298 20 5 DDBDRO C[NH2+]C1CCN(S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])CC1 ZINC000601337953 358505228 /nfs/dbraw/zinc/50/52/28/358505228.db2.gz LZDZEYANIFIRIF-UHFFFAOYSA-N 1 0 319.408 1.337 20 5 DDBDRO COc1ccc(CNC(=O)NCC2([NH3+])CCCC2)cc1[N+](=O)[O-] ZINC000595264282 356425383 /nfs/dbraw/zinc/42/53/83/356425383.db2.gz SLUNTJMFQQBLBC-UHFFFAOYSA-N 1 0 322.365 1.674 20 5 DDBDRO C[C@@H](CN1CCOCC1)N(C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595469717 356505060 /nfs/dbraw/zinc/50/50/60/356505060.db2.gz XDIWDQYGQCGJJG-LBPRGKRZSA-N 1 0 311.357 1.886 20 5 DDBDRO CC[N@@H+]1CC[C@H]2OCCN(Cc3onc(C)c3[N+](=O)[O-])[C@H]2C1 ZINC000595506116 356522528 /nfs/dbraw/zinc/52/25/28/356522528.db2.gz ZQAQHOLAEDZVMF-NWDGAFQWSA-N 1 0 310.354 1.186 20 5 DDBDRO CNC(=O)[C@@H](C)C[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000081556691 192290503 /nfs/dbraw/zinc/29/05/03/192290503.db2.gz SXDVPVAYEIDZFY-QWRGUYRKSA-N 1 0 322.365 1.236 20 5 DDBDRO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CC[C@H]4COC[C@H]4C3)nc2c1 ZINC000595827695 356666709 /nfs/dbraw/zinc/66/67/09/356666709.db2.gz DADYNDDEXCZDIT-WDEREUQCSA-N 1 0 302.334 1.939 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)CC(C)(C)[NH3+] ZINC000595901802 356698113 /nfs/dbraw/zinc/69/81/13/356698113.db2.gz LQCPGKYQBJMHKG-UHFFFAOYSA-N 1 0 308.382 1.901 20 5 DDBDRO CCc1ccc(S(=O)(=O)N[C@@]2(C)CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000596052765 356754822 /nfs/dbraw/zinc/75/48/22/356754822.db2.gz YAOBKYIXKUBFNS-ZDUSSCGKSA-N 1 0 313.379 1.188 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CC1CCC(O)CC1 ZINC000596066962 356759647 /nfs/dbraw/zinc/75/96/47/356759647.db2.gz WWYOZFDQNCNCDV-JXQTWKCFSA-N 1 0 324.377 1.475 20 5 DDBDRO COCC[N@@H+]1CCC[C@H]1CNc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596111001 356776116 /nfs/dbraw/zinc/77/61/16/356776116.db2.gz UBVUAQOWVRWUOR-LBPRGKRZSA-N 1 0 322.365 1.216 20 5 DDBDRO CC[NH+](CC)CCO[C@H]1CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC000596153353 356793368 /nfs/dbraw/zinc/79/33/68/356793368.db2.gz ULPSNRIERMYEIY-LBPRGKRZSA-N 1 0 324.381 1.633 20 5 DDBDRO C[N@@H+]1CCC[C@H]2CN(c3ccc([N+](=O)[O-])c(C(N)=O)c3)CC[C@@H]21 ZINC000596170406 356801026 /nfs/dbraw/zinc/80/10/26/356801026.db2.gz ZLDJJQKPHSKJST-FZMZJTMJSA-N 1 0 318.377 1.614 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000596127432 356783607 /nfs/dbraw/zinc/78/36/07/356783607.db2.gz ZTAVOMCWAHVTPU-AWEZNQCLSA-N 1 0 308.338 1.867 20 5 DDBDRO NC(=O)c1cc(N2CC[C@H](C[NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000596134985 356786277 /nfs/dbraw/zinc/78/62/77/356786277.db2.gz QUNLFSUZGNTVLJ-GFCCVEGCSA-N 1 0 318.377 1.616 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N(C)CC1C[NH+](C)C1 ZINC000596452084 356883694 /nfs/dbraw/zinc/88/36/94/356883694.db2.gz BOBVLNNYXNANMN-UHFFFAOYSA-N 1 0 307.350 1.688 20 5 DDBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](CO)C[NH+](C)C ZINC000597653277 357270023 /nfs/dbraw/zinc/27/00/23/357270023.db2.gz IQQHRJJOVGIIGO-KGLIPLIRSA-N 1 0 323.393 1.202 20 5 DDBDRO CC[NH+](CC)CC1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000347672516 283252314 /nfs/dbraw/zinc/25/23/14/283252314.db2.gz CMPINFPAQIMBEB-UHFFFAOYSA-N 1 0 323.397 1.372 20 5 DDBDRO CN(CCC[NH+](C)C)CCNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000597989921 357408587 /nfs/dbraw/zinc/40/85/87/357408587.db2.gz NMLHVAAKKTZYKU-UHFFFAOYSA-N 1 0 314.411 1.270 20 5 DDBDRO CCN(C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)[C@H]1CC[N@H+](CC)C1 ZINC000598038277 357437553 /nfs/dbraw/zinc/43/75/53/357437553.db2.gz BTUCKGFALKGHHX-NSHDSACASA-N 1 0 308.338 1.252 20 5 DDBDRO CCC[N@@H+]1CC[C@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000598343108 357545502 /nfs/dbraw/zinc/54/55/02/357545502.db2.gz SJZPIJJXQCXPCL-ZDUSSCGKSA-N 1 0 321.377 1.964 20 5 DDBDRO CCC[N@@H+]1CC[C@@H](NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000598342781 357545809 /nfs/dbraw/zinc/54/58/09/357545809.db2.gz QDEVTLBGHGNAMX-LLVKDONJSA-N 1 0 321.333 1.538 20 5 DDBDRO O=C(c1cccc([N+](=O)[O-])c1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000598454587 357589572 /nfs/dbraw/zinc/58/95/72/357589572.db2.gz WZCONPTVWWWYCE-HNNXBMFYSA-N 1 0 319.361 1.266 20 5 DDBDRO CC1(C)CC[C@H](CO)[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000598648160 357669218 /nfs/dbraw/zinc/66/92/18/357669218.db2.gz OETAJHAZPZCUBO-CYBMUJFWSA-N 1 0 321.377 1.677 20 5 DDBDRO C[C@@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H]1CO ZINC000598646912 357669313 /nfs/dbraw/zinc/66/93/13/357669313.db2.gz AVPAXNZJYHFJBK-MFKMUULPSA-N 1 0 307.350 1.144 20 5 DDBDRO Cc1c(CC(=O)N2CC[NH2+][C@H](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000598576663 357638864 /nfs/dbraw/zinc/63/88/64/357638864.db2.gz YMCVSVYGWJRARO-AWEZNQCLSA-N 1 0 305.378 1.902 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)NC(C)(C)CCC[NH+](C)C)n1 ZINC000598738498 357710071 /nfs/dbraw/zinc/71/00/71/357710071.db2.gz MUPSFCAHYTURFD-UHFFFAOYSA-N 1 0 311.386 1.661 20 5 DDBDRO [NH3+][C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)CC[C@H]1F ZINC000598914037 357756984 /nfs/dbraw/zinc/75/69/84/357756984.db2.gz WDKFLWIZAMQCEP-PSASIEDQSA-N 1 0 300.265 1.637 20 5 DDBDRO NC(=O)[C@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000599071456 357807530 /nfs/dbraw/zinc/80/75/30/357807530.db2.gz VOIGFRWNSKYNMR-DDHJBXDOSA-N 1 0 307.354 1.129 20 5 DDBDRO CN1CC[NH+](CC2CN(c3c(F)cccc3[N+](=O)[O-])C2)CC1 ZINC000599105971 357817544 /nfs/dbraw/zinc/81/75/44/357817544.db2.gz IGRMNFZDURRQNA-UHFFFAOYSA-N 1 0 308.357 1.418 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CC[NH2+][C@H]2C)c1C ZINC000599111577 357818931 /nfs/dbraw/zinc/81/89/31/357818931.db2.gz KNYKWUPXDRNFCD-WDEREUQCSA-N 1 0 313.379 1.240 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)nccc2NCC[N@H+]1CC[C@@H](O)C1 ZINC000599175509 357840151 /nfs/dbraw/zinc/84/01/51/357840151.db2.gz DKHCPAFPIRQXNH-GFCCVEGCSA-N 1 0 302.334 1.622 20 5 DDBDRO O=[N+]([O-])c1cc2c(nc1NCC[N@H+]1CC[C@H](O)C1)CCCC2 ZINC000599200085 357847278 /nfs/dbraw/zinc/84/72/78/357847278.db2.gz WBICNJDUHNCKKS-LBPRGKRZSA-N 1 0 306.366 1.347 20 5 DDBDRO O=[N+]([O-])c1cccc2c(NCC[N@H+]3CC[C@H](O)C3)ccnc21 ZINC000599198977 357847356 /nfs/dbraw/zinc/84/73/56/357847356.db2.gz DJRZHSQNWOPLFW-NSHDSACASA-N 1 0 302.334 1.622 20 5 DDBDRO Cc1cc(NCC[N@@H+]2CC[C@H](O)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000599198924 357848034 /nfs/dbraw/zinc/84/80/34/357848034.db2.gz BFYMKNIGCUSCTC-LBPRGKRZSA-N 1 0 316.361 1.930 20 5 DDBDRO O=[N+]([O-])c1ccccc1CN1CCC([NH+]2CCOCC2)CC1 ZINC000599471915 357948676 /nfs/dbraw/zinc/94/86/76/357948676.db2.gz HAXJJHGLIICWBL-UHFFFAOYSA-N 1 0 305.378 1.891 20 5 DDBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000599908012 358078993 /nfs/dbraw/zinc/07/89/93/358078993.db2.gz RGSZWMDASWQYSV-CQSZACIVSA-N 1 0 318.377 1.721 20 5 DDBDRO C[NH2+]C[C@H]1CCCN(C(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000237288844 202218309 /nfs/dbraw/zinc/21/83/09/202218309.db2.gz GSYKJXJUAJAGEJ-CYBMUJFWSA-N 1 0 320.393 1.855 20 5 DDBDRO CC(C)c1ccc(C(=O)NCC[N@@H+]2CC[C@H](O)C2)cc1[N+](=O)[O-] ZINC000600808444 358320293 /nfs/dbraw/zinc/32/02/93/358320293.db2.gz OOJZQKWVUDNHGG-ZDUSSCGKSA-N 1 0 321.377 1.515 20 5 DDBDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000181163039 199259006 /nfs/dbraw/zinc/25/90/06/199259006.db2.gz NHYMCDWLAQBFAY-WDEREUQCSA-N 1 0 306.366 1.780 20 5 DDBDRO C[C@](O)(C[C@H](O)C[NH2+]CCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000601957258 358753117 /nfs/dbraw/zinc/75/31/17/358753117.db2.gz UXXCMWSILUOECM-HOTGVXAUSA-N 1 0 308.378 1.639 20 5 DDBDRO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)c1ccc([N+](=O)[O-])cc1F)C2 ZINC000601974455 358761314 /nfs/dbraw/zinc/76/13/14/358761314.db2.gz JGXAQTLLCWPAMX-GASCZTMLSA-N 1 0 307.325 1.806 20 5 DDBDRO CC1(C)C[NH2+]CC[C@H](NC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000601978483 358763639 /nfs/dbraw/zinc/76/36/39/358763639.db2.gz YBZZHNNTWNKPQR-LBPRGKRZSA-N 1 0 321.377 1.868 20 5 DDBDRO CCOc1cc(C[NH2+][C@H]2CCC[C@@H]2C(=O)NC)ccc1[N+](=O)[O-] ZINC000348146817 283390103 /nfs/dbraw/zinc/39/01/03/283390103.db2.gz FTSYPIIMVFWLNG-STQMWFEESA-N 1 0 321.377 1.998 20 5 DDBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)C[C@H]1CC[N@H+](C)C1 ZINC000602150412 358849017 /nfs/dbraw/zinc/84/90/17/358849017.db2.gz JFACJAGRBHTOFW-CYBMUJFWSA-N 1 0 305.378 1.938 20 5 DDBDRO COC[C@]1(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)CCCC[NH2+]1 ZINC000602443410 358980643 /nfs/dbraw/zinc/98/06/43/358980643.db2.gz UWRXEKYCHKYUKD-WBMJQRKESA-N 1 0 321.377 1.931 20 5 DDBDRO COC[C@@]1(C(=O)NCCc2ccccc2[N+](=O)[O-])CCCC[NH2+]1 ZINC000602457697 358990901 /nfs/dbraw/zinc/99/09/01/358990901.db2.gz IWBMAJJQGIRQKM-MRXNPFEDSA-N 1 0 321.377 1.412 20 5 DDBDRO C[C@H](CCS(C)(=O)=O)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602565840 359047167 /nfs/dbraw/zinc/04/71/67/359047167.db2.gz ARDZFIULROPMJI-LLVKDONJSA-N 1 0 300.380 1.550 20 5 DDBDRO CO[C@@H]1C[NH2+][C@@](C)(C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000602463283 358994914 /nfs/dbraw/zinc/99/49/14/358994914.db2.gz ADALTRYFHHCLDP-PVXIVEMSSA-N 1 0 321.377 1.847 20 5 DDBDRO C[NH2+]CCOCCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000602567112 359048010 /nfs/dbraw/zinc/04/80/10/359048010.db2.gz UZJNLYQGEVEDFL-UHFFFAOYSA-N 1 0 309.366 1.225 20 5 DDBDRO O=C(N1C[C@H]2C[NH2+]C[C@H]2C1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000602489770 359013830 /nfs/dbraw/zinc/01/38/30/359013830.db2.gz PHIHMHFBGRBYBE-BETUJISGSA-N 1 0 315.373 1.694 20 5 DDBDRO CO[C@H]1COCC[C@H]1C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602677329 359120251 /nfs/dbraw/zinc/12/02/51/359120251.db2.gz XOYCOMXDIZTKPU-HZMBPMFUSA-N 1 0 321.333 1.877 20 5 DDBDRO CN(CCC[N@H+](C)Cc1ccco1)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602652026 359101267 /nfs/dbraw/zinc/10/12/67/359101267.db2.gz CUWLSHKIJNDBQN-UHFFFAOYSA-N 1 0 321.381 1.875 20 5 DDBDRO CC1(C)COC[C@@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602679317 359122453 /nfs/dbraw/zinc/12/24/53/359122453.db2.gz CYIMMCZBFYUDPG-AWEZNQCLSA-N 1 0 320.393 1.973 20 5 DDBDRO COC1CCN(CC[NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000602587473 359057762 /nfs/dbraw/zinc/05/77/62/359057762.db2.gz HRHNOACHCXVXSL-UHFFFAOYSA-N 1 0 307.394 1.838 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3C=C[C@H](CO)C3)CC2)cn1 ZINC000602590526 359059141 /nfs/dbraw/zinc/05/91/41/359059141.db2.gz VTUWEOMNOLELPI-GXTWGEPZSA-N 1 0 318.377 1.485 20 5 DDBDRO Cn1nnc2c1CC[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C2 ZINC000602705116 359135800 /nfs/dbraw/zinc/13/58/00/359135800.db2.gz KUGZCFXNSSXDTE-LBPRGKRZSA-N 1 0 301.350 1.413 20 5 DDBDRO CCC(C)(C)[NH+]1CCN(CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000602874975 359258780 /nfs/dbraw/zinc/25/87/80/359258780.db2.gz WVBVERUXVNAZHT-UHFFFAOYSA-N 1 0 309.414 1.906 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000602795317 359198183 /nfs/dbraw/zinc/19/81/83/359198183.db2.gz HUHOLHMXOWNHJD-OCCSQVGLSA-N 1 0 318.381 1.879 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](C(=O)N1CCCC1)C(C)C ZINC000602798478 359198740 /nfs/dbraw/zinc/19/87/40/359198740.db2.gz CNUWDWTXMMCLLP-AWEZNQCLSA-N 1 0 323.397 1.336 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC([C@H]2CCOC2)CC1 ZINC000602805266 359202811 /nfs/dbraw/zinc/20/28/11/359202811.db2.gz NTWKBAHDJHMCEA-AWEZNQCLSA-N 1 0 308.382 1.848 20 5 DDBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H](O)C[C@](C)(O)C1CC1 ZINC000602831704 359223801 /nfs/dbraw/zinc/22/38/01/359223801.db2.gz PWHXIDNHNMMMKF-RDJZCZTQSA-N 1 0 322.405 1.981 20 5 DDBDRO C[C@]12C[NH+](Cc3ccc(F)cc3[N+](=O)[O-])C[C@]1(C)C(=O)NC2=O ZINC000602933464 359303339 /nfs/dbraw/zinc/30/33/39/359303339.db2.gz DGUOCFJVLKOXMI-HUUCEWRRSA-N 1 0 321.308 1.219 20 5 DDBDRO CC[N@H+]1[C@H](C)CN(C(=O)CCn2cc([N+](=O)[O-])nc2C)C[C@@H]1C ZINC000603142366 359430705 /nfs/dbraw/zinc/43/07/05/359430705.db2.gz JWNOAYVBCHYCKF-TXEJJXNPSA-N 1 0 323.397 1.431 20 5 DDBDRO CCOc1cc(Cn2cc([C@H](C)[NH2+]C)nn2)ccc1[N+](=O)[O-] ZINC000603236047 359504261 /nfs/dbraw/zinc/50/42/61/359504261.db2.gz HYXMXHASYWLWQC-JTQLQIEISA-N 1 0 305.338 1.914 20 5 DDBDRO O=[N+]([O-])c1cc2c(ncnc2NC[C@@H]2CSCC[NH2+]2)s1 ZINC000603418621 359628828 /nfs/dbraw/zinc/62/88/28/359628828.db2.gz HTQRIRCGOAUSAM-SSDOTTSWSA-N 1 0 311.392 1.716 20 5 DDBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H](C)CN(C)C ZINC000348306993 283462819 /nfs/dbraw/zinc/46/28/19/283462819.db2.gz PUHUPJQZHLMTSS-VXGBXAGGSA-N 1 0 308.382 1.852 20 5 DDBDRO CC[C@@]1(CO)CCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000187580127 200130091 /nfs/dbraw/zinc/13/00/91/200130091.db2.gz NDYDAEHMQLQPRU-OAHLLOKOSA-N 1 0 309.366 1.241 20 5 DDBDRO CCNC(=O)C[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000604477381 359755106 /nfs/dbraw/zinc/75/51/06/359755106.db2.gz JPSAXNKYJHWSRN-SNVBAGLBSA-N 1 0 308.338 1.038 20 5 DDBDRO C[C@@H]1CC[C@@](CO)([N@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000187982149 200185870 /nfs/dbraw/zinc/18/58/70/200185870.db2.gz VYNUQHZYQBGADJ-BDJLRTHQSA-N 1 0 321.377 1.677 20 5 DDBDRO Cc1ccc(NC(=O)C(=O)N[C@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000604227456 359728291 /nfs/dbraw/zinc/72/82/91/359728291.db2.gz DPQTWYMQQVFGJN-LBPRGKRZSA-N 1 0 320.349 1.052 20 5 DDBDRO O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCC[NH2+]CC1 ZINC000237873349 202376293 /nfs/dbraw/zinc/37/62/93/202376293.db2.gz MHYPBDCPGJPLOL-UHFFFAOYSA-N 1 0 318.377 1.631 20 5 DDBDRO CCCN(CCC[NH+](C)C)C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000189263351 200372107 /nfs/dbraw/zinc/37/21/07/200372107.db2.gz IUDAXALVJQVCBN-UHFFFAOYSA-N 1 0 308.382 1.981 20 5 DDBDRO O=C(COc1ccccc1[N+](=O)[O-])N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000609383578 360303336 /nfs/dbraw/zinc/30/33/36/360303336.db2.gz VLZPNYQKZXMQQG-ZDUSSCGKSA-N 1 0 319.361 1.574 20 5 DDBDRO CC(C)[NH2+][C@@H]1CCCN(CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000609386493 360304421 /nfs/dbraw/zinc/30/44/21/360304421.db2.gz VCUIYPYGWRAFQC-CYBMUJFWSA-N 1 0 320.393 1.996 20 5 DDBDRO CC[N@@H+]1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000609283849 360287092 /nfs/dbraw/zinc/28/70/92/360287092.db2.gz FREMKTLZMUTXFV-HIFRSBDPSA-N 1 0 323.393 1.361 20 5 DDBDRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000609448293 360307804 /nfs/dbraw/zinc/30/78/04/360307804.db2.gz HZTXZRVNUVZTTQ-ZDUSSCGKSA-N 1 0 307.325 1.948 20 5 DDBDRO C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)C1CC[NH+](C)CC1 ZINC000609583661 360329321 /nfs/dbraw/zinc/32/93/21/360329321.db2.gz UQTJVLGGWQASNV-LBPRGKRZSA-N 1 0 305.378 1.984 20 5 DDBDRO C[NH+](C)CC1CCC(NC(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000611001952 360597333 /nfs/dbraw/zinc/59/73/33/360597333.db2.gz JOPKWFWQWNOYDX-UHFFFAOYSA-N 1 0 306.366 1.840 20 5 DDBDRO C[N@@H+]1CCC[C@H](NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000611148672 360637850 /nfs/dbraw/zinc/63/78/50/360637850.db2.gz RQSCMGDPGSUGAF-LBPRGKRZSA-N 1 0 316.361 1.829 20 5 DDBDRO CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC(=O)N(C)C ZINC000611204917 360658712 /nfs/dbraw/zinc/65/87/12/360658712.db2.gz IGWNGUWIMGOEFD-UHFFFAOYSA-N 1 0 322.365 1.334 20 5 DDBDRO C[N@@H+](C[C@H](O)C1CC1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000612086861 360913695 /nfs/dbraw/zinc/91/36/95/360913695.db2.gz YZYIHLRJYCOCLA-JSGCOSHPSA-N 1 0 310.350 1.037 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C1(CO)CCCCC1 ZINC000612103064 360919571 /nfs/dbraw/zinc/91/95/71/360919571.db2.gz QPOJLRZWIFSYBU-ZDUSSCGKSA-N 1 0 324.377 1.619 20 5 DDBDRO Cc1ccccc1OCC[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000565930515 304104206 /nfs/dbraw/zinc/10/42/06/304104206.db2.gz LRZPTSACJDMEOU-AWEZNQCLSA-N 1 0 320.349 1.129 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000618923644 363803754 /nfs/dbraw/zinc/80/37/54/363803754.db2.gz JLSXDGQBDUGBSD-MRXNPFEDSA-N 1 0 321.377 1.432 20 5 DDBDRO Cc1cccc(C(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)c1[N+](=O)[O-] ZINC000619874032 364170407 /nfs/dbraw/zinc/17/04/07/364170407.db2.gz WWHKUUKURIORCJ-CYBMUJFWSA-N 1 0 318.377 1.023 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000566102905 304117377 /nfs/dbraw/zinc/11/73/77/304117377.db2.gz CFJGDNBWFPRTIH-UHFFFAOYSA-N 1 0 301.306 1.342 20 5 DDBDRO Cc1[nH]nc(C(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)c1[N+](=O)[O-] ZINC000349022607 283807564 /nfs/dbraw/zinc/80/75/64/283807564.db2.gz ANCDYUUVEVNACD-VIFPVBQESA-N 1 0 316.321 1.090 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000566204798 304128837 /nfs/dbraw/zinc/12/88/37/304128837.db2.gz GHNYOLJMZSDZEG-UHFFFAOYSA-N 1 0 317.305 1.063 20 5 DDBDRO Cc1cc(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)c(N)c([N+](=O)[O-])c1 ZINC000261693874 203095028 /nfs/dbraw/zinc/09/50/28/203095028.db2.gz FALSKURWXAIAAL-TXEJJXNPSA-N 1 0 318.377 1.557 20 5 DDBDRO C[NH2+][C@@H](C)CNC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000261750707 203108460 /nfs/dbraw/zinc/10/84/60/203108460.db2.gz NJGOBAYLZPJOGT-QMMMGPOBSA-N 1 0 313.379 1.663 20 5 DDBDRO COc1ccc(C(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000261953411 203160369 /nfs/dbraw/zinc/16/03/69/203160369.db2.gz NKIXDSJBVMKDKW-JQWIXIFHSA-N 1 0 307.350 1.721 20 5 DDBDRO O=C(N[C@@H]1CCC[NH2+]C1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000261969834 203163244 /nfs/dbraw/zinc/16/32/44/203163244.db2.gz CWSJEAFERROLFC-LLVKDONJSA-N 1 0 315.333 1.262 20 5 DDBDRO COc1ccc(C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1[N+](=O)[O-] ZINC000262438953 203294617 /nfs/dbraw/zinc/29/46/17/203294617.db2.gz GQADQCDIFNCWIP-NEPJUHHUSA-N 1 0 305.334 1.285 20 5 DDBDRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000262733286 203395554 /nfs/dbraw/zinc/39/55/54/203395554.db2.gz IFCCNRHITWPUDR-VXGBXAGGSA-N 1 0 306.366 1.145 20 5 DDBDRO O=C(N[C@H]1CC[NH2+]C1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000418386486 284203685 /nfs/dbraw/zinc/20/36/85/284203685.db2.gz QHAZFDZQGWHIJS-KBPBESRZSA-N 1 0 318.377 1.846 20 5 DDBDRO CCN(CC)C(=O)C1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000350685584 284243289 /nfs/dbraw/zinc/24/32/89/284243289.db2.gz QTIYTLRWJYOFCZ-UHFFFAOYSA-N 1 0 323.397 1.372 20 5 DDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000264641194 204046331 /nfs/dbraw/zinc/04/63/31/204046331.db2.gz OEVBRJKQZKZTRV-ZDUSSCGKSA-N 1 0 303.362 1.738 20 5 DDBDRO CCCc1n[nH]c(C(=O)NCC[N@H+](C)[C@H](C)CC)c1[N+](=O)[O-] ZINC000264664660 204062213 /nfs/dbraw/zinc/06/22/13/204062213.db2.gz JHHVSGGKUHSIKT-SNVBAGLBSA-N 1 0 311.386 1.731 20 5 DDBDRO CC[N@H+](C)C[C@H]1CCN(c2ccc([N+](=O)[O-])c3nonc32)C1 ZINC000266192881 205173364 /nfs/dbraw/zinc/17/33/64/205173364.db2.gz GZAMJZPOFFJMAH-SNVBAGLBSA-N 1 0 305.338 1.909 20 5 DDBDRO C[C@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000440808213 229837389 /nfs/dbraw/zinc/83/73/89/229837389.db2.gz JZBNOTYIAHETDC-GWCFXTLKSA-N 1 0 313.379 1.012 20 5 DDBDRO C[NH+](C)C[C@H]1CCCN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000267443853 206071102 /nfs/dbraw/zinc/07/11/02/206071102.db2.gz CPYFYMAOFCYYFJ-LLVKDONJSA-N 1 0 317.349 1.637 20 5 DDBDRO C[NH+](C)CCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000035084453 182751654 /nfs/dbraw/zinc/75/16/54/182751654.db2.gz NSPWKICOHFGXSC-UHFFFAOYSA-N 1 0 301.368 1.362 20 5 DDBDRO O=[N+]([O-])c1cc(C[NH2+][C@H](CCO)C2CCOCC2)cs1 ZINC000359581615 299490299 /nfs/dbraw/zinc/49/02/99/299490299.db2.gz NNJVXUCVQVWOEU-GFCCVEGCSA-N 1 0 300.380 1.924 20 5 DDBDRO CN1C[C@@H]([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1=O ZINC000268863044 207031446 /nfs/dbraw/zinc/03/14/46/207031446.db2.gz RVQXHFSIBMMEQM-UONOGXRCSA-N 1 0 303.362 1.736 20 5 DDBDRO COCC[N@H+](C)CCNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000061380226 184170254 /nfs/dbraw/zinc/17/02/54/184170254.db2.gz JJGAJLQOBTYQJC-UHFFFAOYSA-N 1 0 315.757 1.556 20 5 DDBDRO C[NH2+][C@H]1CCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000269111250 207249560 /nfs/dbraw/zinc/24/95/60/207249560.db2.gz FHQXXWNXNFRUNP-ZDUSSCGKSA-N 1 0 318.377 1.629 20 5 DDBDRO O=C(C[C@@H]1C[NH2+]CCO1)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000269210132 207328760 /nfs/dbraw/zinc/32/87/60/207328760.db2.gz BPGOTPWFLTYORY-OAHLLOKOSA-N 1 0 321.377 1.412 20 5 DDBDRO C[C@H]1CN(C(=O)CCNc2ccccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000269235762 207361188 /nfs/dbraw/zinc/36/11/88/207361188.db2.gz WSAGSUOXURVCOW-NWDGAFQWSA-N 1 0 306.366 1.593 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+](CCO)CC1CC1 ZINC000352479059 285080416 /nfs/dbraw/zinc/08/04/16/285080416.db2.gz AFFUJSPQDKNMKU-CYBMUJFWSA-N 1 0 310.350 1.039 20 5 DDBDRO O=[N+]([O-])c1ccc(C[N@H+](CCO)CCOCC(F)(F)F)cc1 ZINC000078671289 285112008 /nfs/dbraw/zinc/11/20/08/285112008.db2.gz KJFMKEGLYJGKDF-UHFFFAOYSA-N 1 0 322.283 1.968 20 5 DDBDRO C[NH+](C)CCN1CCC(Nc2ncc([N+](=O)[O-])cc2F)CC1 ZINC000413106626 224136306 /nfs/dbraw/zinc/13/63/06/224136306.db2.gz YXZWRIFKKSMMBD-UHFFFAOYSA-N 1 0 311.361 1.567 20 5 DDBDRO COc1ccc(OCC[N@@H+]2CCC[C@@]2(C)CO)c([N+](=O)[O-])c1 ZINC000567971134 304256927 /nfs/dbraw/zinc/25/69/27/304256927.db2.gz URLGPLUNBSFDTR-HNNXBMFYSA-N 1 0 310.350 1.829 20 5 DDBDRO CCC[NH+](CCC)CCCNC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000271345126 208832676 /nfs/dbraw/zinc/83/26/76/208832676.db2.gz DDVHULHPZKYRQC-UHFFFAOYSA-N 1 0 311.386 1.570 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@H]2CCCC[C@@H]2n2cccn2)c1 ZINC000127727788 285190103 /nfs/dbraw/zinc/19/01/03/285190103.db2.gz CCBFOHBPCBFAHI-KBPBESRZSA-N 1 0 304.354 1.761 20 5 DDBDRO C[C@@H](NC(=O)N[C@@H](CC[NH3+])C(F)F)c1cccc([N+](=O)[O-])c1 ZINC000417144822 533193938 /nfs/dbraw/zinc/19/39/38/533193938.db2.gz WKKMHKACXIPZIJ-KCJUWKMLSA-N 1 0 316.308 1.938 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000289655722 221132645 /nfs/dbraw/zinc/13/26/45/221132645.db2.gz IKDURNUBGOSGNC-GHMZBOCLSA-N 1 0 305.334 1.285 20 5 DDBDRO COC(=O)c1cc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])c[nH]1 ZINC000289795105 221232079 /nfs/dbraw/zinc/23/20/79/221232079.db2.gz MFWQSPPQYYTHQV-UHFFFAOYSA-N 1 0 318.333 1.675 20 5 DDBDRO C[C@@H](CCCC[NH3+])NC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000417930783 533533433 /nfs/dbraw/zinc/53/34/33/533533433.db2.gz BJFKFEVWFWVUFN-LBPRGKRZSA-N 1 0 308.382 1.954 20 5 DDBDRO COc1ccc(CNC(=O)[C@@H](C(C)C)[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000423060831 533638143 /nfs/dbraw/zinc/63/81/43/533638143.db2.gz JCALJWSKRCXKCL-YGRLFVJLSA-N 1 0 309.366 1.839 20 5 DDBDRO Cc1ccc(C[NH2+][C@@H](C)C2(S(C)(=O)=O)CC2)cc1[N+](=O)[O-] ZINC000353035907 285472912 /nfs/dbraw/zinc/47/29/12/285472912.db2.gz PRXIVEOLPJPGQO-NSHDSACASA-N 1 0 312.391 1.959 20 5 DDBDRO COC(=O)COc1ccc(C[NH2+]C[C@@H](C)OC)cc1[N+](=O)[O-] ZINC000353194456 285587730 /nfs/dbraw/zinc/58/77/30/285587730.db2.gz SBURPCXPBJBRSD-SNVBAGLBSA-N 1 0 312.322 1.271 20 5 DDBDRO C[C@@H]1CN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)[C@H](C)C[NH2+]1 ZINC000568858486 304316359 /nfs/dbraw/zinc/31/63/59/304316359.db2.gz DJLTYQUGROUXJA-RKDXNWHRSA-N 1 0 303.322 1.430 20 5 DDBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCc1cn[nH]c1 ZINC000353638265 285843339 /nfs/dbraw/zinc/84/33/39/285843339.db2.gz ATPYJPIACRQUGK-NSHDSACASA-N 1 0 317.349 1.867 20 5 DDBDRO CC(C)[NH2+]CCCNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000569087432 304335524 /nfs/dbraw/zinc/33/55/24/304335524.db2.gz XDXXQKJHCVHYLQ-UHFFFAOYSA-N 1 0 315.395 1.798 20 5 DDBDRO [NH3+]C1CC(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000036265753 406978539 /nfs/dbraw/zinc/97/85/39/406978539.db2.gz LIOFZKPWRHZSND-UHFFFAOYSA-N 1 0 305.743 1.016 20 5 DDBDRO O=[N+]([O-])c1nn(CC[C@@H]2CCC[NH2+]C2)cc1Br ZINC000051919969 407144555 /nfs/dbraw/zinc/14/45/55/407144555.db2.gz UAIWYWVJMPRZCR-QMMMGPOBSA-N 1 0 303.160 1.944 20 5 DDBDRO C[NH2+][C@@H]1CCCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000053202826 407165769 /nfs/dbraw/zinc/16/57/69/407165769.db2.gz DNBCOLCSQFSQKL-GFCCVEGCSA-N 1 0 313.379 1.108 20 5 DDBDRO CCC[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)CC(=O)NC ZINC000056508282 407209985 /nfs/dbraw/zinc/20/99/85/407209985.db2.gz LDYZXHHYGJOEAE-UHFFFAOYSA-N 1 0 309.366 1.822 20 5 DDBDRO C[N@@H+]1CCCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC1 ZINC000097617542 407300656 /nfs/dbraw/zinc/30/06/56/407300656.db2.gz KRKGXHISKMZGEA-UHFFFAOYSA-N 1 0 318.377 1.947 20 5 DDBDRO COc1cc([N+](=O)[O-])c(C(=O)NCC[NH+](C)C)cc1SC ZINC000103205568 407333969 /nfs/dbraw/zinc/33/39/69/407333969.db2.gz BWJMPBDGTYZFBE-UHFFFAOYSA-N 1 0 313.379 1.617 20 5 DDBDRO C[C@H]1C[C@H](N(C)C(=O)COc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000124497547 407359910 /nfs/dbraw/zinc/35/99/10/407359910.db2.gz ANOYWGXQRWWUGK-GXTWGEPZSA-N 1 0 321.377 1.915 20 5 DDBDRO C[C@H]1C[C@@H](N(C)C(=O)COc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000124498006 407360169 /nfs/dbraw/zinc/36/01/69/407360169.db2.gz ANOYWGXQRWWUGK-JSGCOSHPSA-N 1 0 321.377 1.915 20 5 DDBDRO CN(CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1nccn1C ZINC000124648701 407365181 /nfs/dbraw/zinc/36/51/81/407365181.db2.gz MNSCQSDTPUXBTN-UHFFFAOYSA-N 1 0 317.349 1.789 20 5 DDBDRO COC[C@H]1CC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000265762640 407442488 /nfs/dbraw/zinc/44/24/88/407442488.db2.gz HISXIZFDRNSJKR-GXTWGEPZSA-N 1 0 310.350 1.303 20 5 DDBDRO CC[C@@H]1C[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@H]1O ZINC000270968065 407443381 /nfs/dbraw/zinc/44/33/81/407443381.db2.gz VTOGBQOVBXQCDG-IUODEOHRSA-N 1 0 321.377 1.935 20 5 DDBDRO COc1cccc(C(=O)NC2CC[NH+](C3CC3)CC2)c1[N+](=O)[O-] ZINC000195361158 407452135 /nfs/dbraw/zinc/45/21/35/407452135.db2.gz OBUYJOPBOSHJPM-UHFFFAOYSA-N 1 0 319.361 1.960 20 5 DDBDRO CC[N@@H+](Cc1ccncc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000270998750 407460691 /nfs/dbraw/zinc/46/06/91/407460691.db2.gz JWLTXNHXNIQTSG-CQSZACIVSA-N 1 0 305.338 1.069 20 5 DDBDRO C[C@H](C[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000266541459 407552781 /nfs/dbraw/zinc/55/27/81/407552781.db2.gz QCHAPEJHYKOPMU-CZUORRHYSA-N 1 0 318.377 1.888 20 5 DDBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CC(=O)N(C)C2)cc1[N+](=O)[O-] ZINC000271172142 407552965 /nfs/dbraw/zinc/55/29/65/407552965.db2.gz UKOQQQDONJIREQ-CMPLNLGQSA-N 1 0 307.350 1.875 20 5 DDBDRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000261669549 407575552 /nfs/dbraw/zinc/57/55/52/407575552.db2.gz GWUFGFSDXRFEPA-RYUDHWBXSA-N 1 0 306.366 1.593 20 5 DDBDRO Cc1cc([N+](=O)[O-])cnc1NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000271257747 407599532 /nfs/dbraw/zinc/59/95/32/407599532.db2.gz ALBJXMNCIBUMIF-LBPRGKRZSA-N 1 0 307.354 1.050 20 5 DDBDRO C[NH2+][C@@H]1CCCN(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000261766012 407606562 /nfs/dbraw/zinc/60/65/62/407606562.db2.gz NLAODAUHNMUGGJ-GFCCVEGCSA-N 1 0 306.366 1.526 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CN1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000261893962 407659952 /nfs/dbraw/zinc/65/99/52/407659952.db2.gz OBJZKHZJXDNZPQ-OAHLLOKOSA-N 1 0 320.393 1.083 20 5 DDBDRO CCCN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000261810676 407623325 /nfs/dbraw/zinc/62/33/25/407623325.db2.gz VSLBMWWJFFNFBG-UHFFFAOYSA-N 1 0 320.393 1.658 20 5 DDBDRO O=[N+]([O-])c1cccc(-c2cnc(CCN3CC[NH2+]CC3)o2)c1 ZINC000261814634 407624317 /nfs/dbraw/zinc/62/43/17/407624317.db2.gz MXFALIOFZQZNAG-UHFFFAOYSA-N 1 0 302.334 1.698 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000261834685 407634986 /nfs/dbraw/zinc/63/49/86/407634986.db2.gz IFMWNWIWXQMGPY-OAHLLOKOSA-N 1 0 320.393 1.083 20 5 DDBDRO COC(=O)C[C@@H]1CCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000178873013 407635445 /nfs/dbraw/zinc/63/54/45/407635445.db2.gz ADSHRAPYWOAJGN-JSGCOSHPSA-N 1 0 308.334 1.656 20 5 DDBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000261846259 407637849 /nfs/dbraw/zinc/63/78/49/407637849.db2.gz ZFQDQPMLGOXDSQ-OLZOCXBDSA-N 1 0 320.393 1.443 20 5 DDBDRO O=C(COc1cccc([N+](=O)[O-])c1)NCC[C@H]1CCC[NH2+]C1 ZINC000152605909 407659213 /nfs/dbraw/zinc/65/92/13/407659213.db2.gz CTBWURJBQNERRQ-GFCCVEGCSA-N 1 0 307.350 1.480 20 5 DDBDRO C[NH2+]C[C@@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000178968761 407677100 /nfs/dbraw/zinc/67/71/00/407677100.db2.gz HOTVRAIYKXQQBC-NSHDSACASA-N 1 0 313.379 1.276 20 5 DDBDRO CC[C@@H]1CN(c2nccc(C)c2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000115517102 407687589 /nfs/dbraw/zinc/68/75/89/407687589.db2.gz PCIZZRZAIWXZTP-CYBMUJFWSA-N 1 0 308.382 1.845 20 5 DDBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)C[C@@H]21 ZINC000262065317 407729714 /nfs/dbraw/zinc/72/97/14/407729714.db2.gz FKJQGNPUUDROOH-BIGNPOOSSA-N 1 0 307.325 1.933 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186524788 407692594 /nfs/dbraw/zinc/69/25/94/407692594.db2.gz CEAVFNBRNHNQIZ-GFCCVEGCSA-N 1 0 321.381 1.233 20 5 DDBDRO COC(=O)COc1ccc(CN2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000261968518 407694435 /nfs/dbraw/zinc/69/44/35/407694435.db2.gz QDMYLYXNNQCWED-GFCCVEGCSA-N 1 0 323.349 1.070 20 5 DDBDRO Cc1ccnc(N2CC[NH+](C3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000267018318 407718298 /nfs/dbraw/zinc/71/82/98/407718298.db2.gz ILARGIXTSBJEJB-UHFFFAOYSA-N 1 0 306.366 1.599 20 5 DDBDRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000186712620 407753914 /nfs/dbraw/zinc/75/39/14/407753914.db2.gz OEIOAVMTFPZCCM-GXFFZTMASA-N 1 0 306.366 1.389 20 5 DDBDRO C[C@H]1CN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC000179178766 407742896 /nfs/dbraw/zinc/74/28/96/407742896.db2.gz VDEKJCFCRMDAFW-NSHDSACASA-N 1 0 315.333 1.214 20 5 DDBDRO C[C@H](CCNC(=O)c1cc([N+](=O)[O-])cnc1N)[NH+]1CCCCC1 ZINC000186744463 407762102 /nfs/dbraw/zinc/76/21/02/407762102.db2.gz WOZSYNNVIFEVLJ-LLVKDONJSA-N 1 0 321.381 1.566 20 5 DDBDRO CN(CC[N@H+](C)C1CC1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000186764279 407766440 /nfs/dbraw/zinc/76/64/40/407766440.db2.gz HGOXBEFITKWLNQ-AWEZNQCLSA-N 1 0 323.393 1.361 20 5 DDBDRO O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)[C@@H]1CCC[NH2+]1 ZINC000237950275 407853575 /nfs/dbraw/zinc/85/35/75/407853575.db2.gz PGXURLQYNFZUHL-NSHDSACASA-N 1 0 301.306 1.675 20 5 DDBDRO [NH3+]CC1(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CCCC1 ZINC000238019679 407869212 /nfs/dbraw/zinc/86/92/12/407869212.db2.gz IXMBBHYVBQEPSH-UHFFFAOYSA-N 1 0 308.294 1.504 20 5 DDBDRO COC[C@@H](O)C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000117946610 407873582 /nfs/dbraw/zinc/87/35/82/407873582.db2.gz XLPPBPQXLUZBHM-ZDUSSCGKSA-N 1 0 306.318 1.952 20 5 DDBDRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000181184812 407963239 /nfs/dbraw/zinc/96/32/39/407963239.db2.gz NXDVFILTVWYRNR-PWSUYJOCSA-N 1 0 306.366 1.636 20 5 DDBDRO C[C@H]1C[C@H](NC(=O)CN(C)c2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000262922867 407972184 /nfs/dbraw/zinc/97/21/84/407972184.db2.gz RYAGIEBUNRFJAP-NWDGAFQWSA-N 1 0 306.366 1.288 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000272428621 407915315 /nfs/dbraw/zinc/91/53/15/407915315.db2.gz HJCOHNICAFFRFT-OLZOCXBDSA-N 1 0 321.381 1.042 20 5 DDBDRO CCCCC[N@H+](CCOc1ccccc1[N+](=O)[O-])CC(N)=O ZINC000272555161 407982273 /nfs/dbraw/zinc/98/22/73/407982273.db2.gz LDNRGZZSHRMJBB-UHFFFAOYSA-N 1 0 309.366 1.951 20 5 DDBDRO C[C@@H]1C[C@@H](NC(=O)CCNc2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000262795761 407934519 /nfs/dbraw/zinc/93/45/19/407934519.db2.gz DOZXMIJDXYOBLK-NEPJUHHUSA-N 1 0 306.366 1.654 20 5 DDBDRO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000245715105 408049546 /nfs/dbraw/zinc/04/95/46/408049546.db2.gz NXDVFILTVWYRNR-CMPLNLGQSA-N 1 0 306.366 1.636 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCO[C@@H]2CCC[C@@H]21 ZINC000273084932 408050180 /nfs/dbraw/zinc/05/01/80/408050180.db2.gz YOOSLURCAYKTKK-VNHYZAJKSA-N 1 0 322.361 1.588 20 5 DDBDRO Cc1cc(N2CCN(C)C(=O)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000181505854 408004657 /nfs/dbraw/zinc/00/46/57/408004657.db2.gz DWBQSFFPTWTWOH-UHFFFAOYSA-N 1 0 300.318 1.730 20 5 DDBDRO O=C1NCCCC[C@@H]1[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000245857470 408079327 /nfs/dbraw/zinc/07/93/27/408079327.db2.gz KIGOKQIOSAHHMD-YPMHNXCESA-N 1 0 319.365 1.145 20 5 DDBDRO C[C@](C[NH3+])(NC(=O)CCNc1ccccc1[N+](=O)[O-])C1CC1 ZINC000154836655 408092443 /nfs/dbraw/zinc/09/24/43/408092443.db2.gz NGXFJBBZDMSVNA-OAHLLOKOSA-N 1 0 306.366 1.640 20 5 DDBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1N)C(C)(C)C[NH+](C)C ZINC000155052145 408121197 /nfs/dbraw/zinc/12/11/97/408121197.db2.gz JHPCERUUMZIOGU-SNVBAGLBSA-N 1 0 308.382 1.883 20 5 DDBDRO COc1ccc(C(=O)N2[C@H](C)CN(C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000155075769 408123256 /nfs/dbraw/zinc/12/32/56/408123256.db2.gz QEYZWTYELLIKIS-PHIMTYICSA-N 1 0 307.350 1.768 20 5 DDBDRO COC1(C)CC[NH+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000273260289 408128585 /nfs/dbraw/zinc/12/85/85/408128585.db2.gz ZFIXLVWVRUHKAJ-CYBMUJFWSA-N 1 0 324.377 1.835 20 5 DDBDRO CC(=O)N1CCN(CCOc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000268662415 408144856 /nfs/dbraw/zinc/14/48/56/408144856.db2.gz ISODMUJPJMIFOK-LBPRGKRZSA-N 1 0 307.350 1.526 20 5 DDBDRO [NH3+][C@@H](CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C1CC1 ZINC000137393648 408153170 /nfs/dbraw/zinc/15/31/70/408153170.db2.gz ZNHWTUYEROEFHB-ZDUSSCGKSA-N 1 0 318.377 1.662 20 5 DDBDRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)COc3ccc([N+](=O)[O-])c(F)c3)C[C@@H]12 ZINC000273389804 408178797 /nfs/dbraw/zinc/17/87/97/408178797.db2.gz HRQQJXXIHNNSJL-IRUJWGPZSA-N 1 0 323.324 1.308 20 5 DDBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000246315656 408215508 /nfs/dbraw/zinc/21/55/08/408215508.db2.gz KBGUGJKJJZPNRT-WFASDCNBSA-N 1 0 318.377 1.702 20 5 DDBDRO C[C@@H]1CC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@@H]1CO ZINC000190348788 408226383 /nfs/dbraw/zinc/22/63/83/408226383.db2.gz KMNGYYFUMPTGDA-IAQYHMDHSA-N 1 0 319.361 1.187 20 5 DDBDRO O=C(C[NH2+]C[C@@H]1CCCO1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000157470100 408303240 /nfs/dbraw/zinc/30/32/40/408303240.db2.gz DRMAMHISFUIERS-HNNXBMFYSA-N 1 0 319.361 1.248 20 5 DDBDRO C[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1CO ZINC000190909434 408340502 /nfs/dbraw/zinc/34/05/02/408340502.db2.gz SJWHAPYXTZMOCF-NEPJUHHUSA-N 1 0 307.350 1.484 20 5 DDBDRO COc1cc(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000171454553 162219852 /nfs/dbraw/zinc/21/98/52/162219852.db2.gz DUBMGPZSYOSIEV-ZDUSSCGKSA-N 1 0 319.361 1.914 20 5 DDBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000274543568 408444863 /nfs/dbraw/zinc/44/48/63/408444863.db2.gz UUUKGIOXRAHXEU-YGRLFVJLSA-N 1 0 306.366 1.589 20 5 DDBDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1csc([N+](=O)[O-])c1 ZINC000264466505 408502131 /nfs/dbraw/zinc/50/21/31/408502131.db2.gz STLVATGGRQCWNE-SNVBAGLBSA-N 1 0 312.395 1.022 20 5 DDBDRO C[C@H](CN1CC[NH+](C)CC1)Nc1nc2sccn2c1[N+](=O)[O-] ZINC000264393810 408471151 /nfs/dbraw/zinc/47/11/51/408471151.db2.gz KTJQBGOKCDUECQ-SNVBAGLBSA-N 1 0 324.410 1.352 20 5 DDBDRO C[C@H]([NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000177262154 408565296 /nfs/dbraw/zinc/56/52/96/408565296.db2.gz VXSRNCBTLDBRCW-JTQLQIEISA-N 1 0 313.379 1.261 20 5 DDBDRO C[C@@H]1CCC[C@H](CO)[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248441390 408566184 /nfs/dbraw/zinc/56/61/84/408566184.db2.gz DQGXXAUHODJIDV-MGPQQGTHSA-N 1 0 324.377 1.570 20 5 DDBDRO CO[C@H]1CCC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000248459348 408570600 /nfs/dbraw/zinc/57/06/00/408570600.db2.gz NNXLKUZEMWOHGU-OLZOCXBDSA-N 1 0 310.350 1.445 20 5 DDBDRO CC1(O)CC[NH+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000177307736 408578717 /nfs/dbraw/zinc/57/87/17/408578717.db2.gz VGUPJKNKWZFGLK-ZDUSSCGKSA-N 1 0 310.350 1.181 20 5 DDBDRO CC(C)[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC1 ZINC000192513833 408600160 /nfs/dbraw/zinc/60/01/60/408600160.db2.gz LWMMCXVSDPHWGD-UHFFFAOYSA-N 1 0 308.338 1.298 20 5 DDBDRO O=C(NCCC[NH+]1CCC(O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000265461288 408658723 /nfs/dbraw/zinc/65/87/23/408658723.db2.gz NDEDVTVQDCIQPC-UHFFFAOYSA-N 1 0 307.350 1.171 20 5 DDBDRO COCC[N@H+](C)CCCNC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000162617620 408719553 /nfs/dbraw/zinc/71/95/53/408719553.db2.gz LTDVUIOSHQJNKN-UHFFFAOYSA-N 1 0 324.381 1.993 20 5 DDBDRO C[C@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC[C@H]1O ZINC000249550064 408740750 /nfs/dbraw/zinc/74/07/50/408740750.db2.gz HPDTXANIZJCYTP-SMDDNHRTSA-N 1 0 307.350 1.626 20 5 DDBDRO Cc1ccnc(N2CC[NH+](CC3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000265510468 408678360 /nfs/dbraw/zinc/67/83/60/408678360.db2.gz PFUFTNMDYGMEKO-UHFFFAOYSA-N 1 0 320.393 1.847 20 5 DDBDRO CC(C)(C)[C@@H](CO)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000193111319 408696562 /nfs/dbraw/zinc/69/65/62/408696562.db2.gz HBYZYSOVDHQBFM-SMDDNHRTSA-N 1 0 312.366 1.331 20 5 DDBDRO COC[C@@H]1CCC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000252441772 408794206 /nfs/dbraw/zinc/79/42/06/408794206.db2.gz RXRDTFGXKQPDQQ-UKRRQHHQSA-N 1 0 324.377 1.693 20 5 DDBDRO CC[C@H]1CN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@@H]1O ZINC000270942882 408752050 /nfs/dbraw/zinc/75/20/50/408752050.db2.gz RSFKXYPVNIOLCV-GWCFXTLKSA-N 1 0 318.333 1.848 20 5 DDBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3N)CC[C@@H]21 ZINC000178004438 408754987 /nfs/dbraw/zinc/75/49/87/408754987.db2.gz TZQOQAHNUPGAFP-NHYWBVRUSA-N 1 0 318.377 1.733 20 5 DDBDRO O=C(C[C@@H]1COCC[NH2+]1)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000285858252 408877207 /nfs/dbraw/zinc/87/72/07/408877207.db2.gz YNKYRCJRXWLRHQ-CQSZACIVSA-N 1 0 321.377 1.412 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@]2(CO)CCOc3ccccc32)c1 ZINC000281593393 408893759 /nfs/dbraw/zinc/89/37/59/408893759.db2.gz FFZHGHGKWZYALT-HNNXBMFYSA-N 1 0 318.333 1.051 20 5 DDBDRO Nc1c(C(=O)NCc2ccc3c(c2)C[NH2+]C3)cccc1[N+](=O)[O-] ZINC000188671946 163062889 /nfs/dbraw/zinc/06/28/89/163062889.db2.gz MQEVUESTGUMZRE-UHFFFAOYSA-N 1 0 312.329 1.710 20 5 DDBDRO COC[C@H](Cc1ccccc1)[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000191482894 163188857 /nfs/dbraw/zinc/18/88/57/163188857.db2.gz SSDLEKAQTBOUDK-HNNXBMFYSA-N 1 0 318.377 1.981 20 5 DDBDRO CCn1nc(C)c([N+](=O)[O-])c1N(C)CCCN1CC[NH+](C)CC1 ZINC000192585332 163227760 /nfs/dbraw/zinc/22/77/60/163227760.db2.gz IUDGCQAGGJRDGY-UHFFFAOYSA-N 1 0 324.429 1.193 20 5 DDBDRO C[C@@H](O)C[C@H]1CCCCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000286166587 408935342 /nfs/dbraw/zinc/93/53/42/408935342.db2.gz WOIPALXJXAUSHJ-ZIAGYGMSSA-N 1 0 323.393 1.772 20 5 DDBDRO O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000277432161 408939348 /nfs/dbraw/zinc/93/93/48/408939348.db2.gz DTCZJRYFDUIFPJ-CYBMUJFWSA-N 1 0 321.381 1.315 20 5 DDBDRO CCS(=O)(=O)C[C@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000231884424 163350942 /nfs/dbraw/zinc/35/09/42/163350942.db2.gz HEOCYYWIWBIMKV-JTQLQIEISA-N 1 0 300.380 1.816 20 5 DDBDRO COc1ccc(CN2CC[N@H+](C[C@H](C)O)C[C@H]2C)cc1[N+](=O)[O-] ZINC000282209803 409011251 /nfs/dbraw/zinc/01/12/51/409011251.db2.gz XWAPLHJJVKLTEZ-OLZOCXBDSA-N 1 0 323.393 1.490 20 5 DDBDRO O=c1cc(C[N@@H+]2C[C@@H](O)[C@@H](O)C2)c2c(ccc3ccccc32)o1 ZINC000278954119 409120829 /nfs/dbraw/zinc/12/08/29/409120829.db2.gz ZAOXYUDFPXFJJS-GASCZTMLSA-N 1 0 311.337 1.484 20 5 DDBDRO C[C@@H]1CCC[N@H+](CCNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000283556770 409175663 /nfs/dbraw/zinc/17/56/63/409175663.db2.gz UJRWLWHIQMPZKZ-SNVBAGLBSA-N 1 0 324.356 1.778 20 5 DDBDRO O=c1nc([C@H]2CCCCN2Cc2cccc([N+](=O)[O-])c2)[nH][nH]1 ZINC000289047478 409211520 /nfs/dbraw/zinc/21/15/20/409211520.db2.gz BWJRJJLBFAOHQQ-GFCCVEGCSA-N 1 0 303.322 1.733 20 5 DDBDRO O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000289160043 409226720 /nfs/dbraw/zinc/22/67/20/409226720.db2.gz GWSQMNMLFNBMOW-OAHLLOKOSA-N 1 0 307.325 1.950 20 5 DDBDRO CC(C)([NH3+])CN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000261971874 163740106 /nfs/dbraw/zinc/74/01/06/163740106.db2.gz QJXMRLRDENVXJI-UHFFFAOYSA-N 1 0 306.366 1.090 20 5 DDBDRO COc1cc(C(=O)NC[C@@H]([NH3+])C2CC2)cc([N+](=O)[O-])c1OC ZINC000261981009 163742105 /nfs/dbraw/zinc/74/21/05/163742105.db2.gz WJAUXLIMMFZUJW-SNVBAGLBSA-N 1 0 309.322 1.079 20 5 DDBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000279384985 409203844 /nfs/dbraw/zinc/20/38/44/409203844.db2.gz IFOOUWFPUJDSPL-SNVBAGLBSA-N 1 0 324.356 1.730 20 5 DDBDRO COC(=O)C[C@@H]1CC[C@@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)[C@@H]1C ZINC000280322257 409292525 /nfs/dbraw/zinc/29/25/25/409292525.db2.gz PNAGNIGMUIQDEZ-NTZNESFSSA-N 1 0 310.354 1.359 20 5 DDBDRO Nc1ccc(C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)cc1[N+](=O)[O-] ZINC000290222648 409327686 /nfs/dbraw/zinc/32/76/86/409327686.db2.gz TWPCBPIFWJMWON-ZDUSSCGKSA-N 1 0 318.377 1.639 20 5 DDBDRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000295250482 409396606 /nfs/dbraw/zinc/39/66/06/409396606.db2.gz QFOVUXBLMFKCHY-YABSGUDNSA-N 1 0 302.334 1.117 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)CN2CCCC[C@@H]2c2cc[nH]n2)c1 ZINC000285390764 409423222 /nfs/dbraw/zinc/42/32/22/409423222.db2.gz NXXJLDZYXQMSML-TZMCWYRMSA-N 1 0 320.353 1.103 20 5 DDBDRO CCc1n[nH]c(C(=O)N2CC[N@@H+](C3CC3)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000295425730 409476624 /nfs/dbraw/zinc/47/66/24/409476624.db2.gz UHMSWWOSXKUJCI-SNVBAGLBSA-N 1 0 321.381 1.437 20 5 DDBDRO C[N@H+]1C[C@H]2CN(C(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)C[C@H]2C1 ZINC000408278029 164283846 /nfs/dbraw/zinc/28/38/46/164283846.db2.gz COXGVHDCIIOSRJ-TXEJJXNPSA-N 1 0 314.345 1.710 20 5 DDBDRO C[N@H+](CCNc1nccc(C(N)=O)c1[N+](=O)[O-])C1CCCC1 ZINC000290694411 409491006 /nfs/dbraw/zinc/49/10/06/409491006.db2.gz UYSAIVHHUSFZNK-UHFFFAOYSA-N 1 0 307.354 1.375 20 5 DDBDRO CCn1cnnc1C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000331516097 409589604 /nfs/dbraw/zinc/58/96/04/409589604.db2.gz COKCQNQPVYIVGN-NWDGAFQWSA-N 1 0 319.369 1.676 20 5 DDBDRO CCn1cnnc1C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000331516104 409589985 /nfs/dbraw/zinc/58/99/85/409589985.db2.gz COKCQNQPVYIVGN-VXGBXAGGSA-N 1 0 319.369 1.676 20 5 DDBDRO Cc1ccc(C(=O)NCCNc2cc[nH+]cc2)cc1[N+](=O)[O-] ZINC000338070694 409697153 /nfs/dbraw/zinc/69/71/53/409697153.db2.gz ZRWIFIJRCMQTKW-UHFFFAOYSA-N 1 0 300.318 1.562 20 5 DDBDRO CC[N@@H+](Cc1ccccn1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000305034147 409657290 /nfs/dbraw/zinc/65/72/90/409657290.db2.gz IDKUGBVTDUZGSF-CQSZACIVSA-N 1 0 305.338 1.069 20 5 DDBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])n2C)C[C@@H]1C ZINC000354439059 409854871 /nfs/dbraw/zinc/85/48/71/409854871.db2.gz UXKSYRABUQQWQD-NWDGAFQWSA-N 1 0 308.382 1.878 20 5 DDBDRO CC[NH+]1CCC(CCNC(=O)c2cc([N+](=O)[O-])nn2C)CC1 ZINC000357037528 409811610 /nfs/dbraw/zinc/81/16/10/409811610.db2.gz MDYCJTMIYCQFFC-UHFFFAOYSA-N 1 0 309.370 1.180 20 5 DDBDRO C[C@H](CC[NH3+])NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000349991026 409919555 /nfs/dbraw/zinc/91/95/55/409919555.db2.gz PFWHVVJJYXSVEI-SNVBAGLBSA-N 1 0 317.349 1.462 20 5 DDBDRO C[C@@H](CC[NH3+])NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000349991024 409919658 /nfs/dbraw/zinc/91/96/58/409919658.db2.gz PFWHVVJJYXSVEI-JTQLQIEISA-N 1 0 317.349 1.462 20 5 DDBDRO CCN(CCC[NH+]1CCCC1)C(=O)c1c([N+](=O)[O-])cnn1C ZINC000357111205 409880907 /nfs/dbraw/zinc/88/09/07/409880907.db2.gz MUCCOXWFAJEFNT-UHFFFAOYSA-N 1 0 309.370 1.276 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@](C)(C(N)=O)C(C)C ZINC000297698059 409962982 /nfs/dbraw/zinc/96/29/82/409962982.db2.gz QGGPTIXWNQTNCG-OAHLLOKOSA-N 1 0 322.365 1.331 20 5 DDBDRO Cc1c(NC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000354707122 410030917 /nfs/dbraw/zinc/03/09/17/410030917.db2.gz KXWCHRQOLXMIOY-LBPRGKRZSA-N 1 0 320.349 1.100 20 5 DDBDRO C[C@H]([NH2+]CCNC(=O)c1cnccn1)c1cccc([N+](=O)[O-])c1 ZINC000346791235 410154769 /nfs/dbraw/zinc/15/47/69/410154769.db2.gz HXDAPITVTYVKMF-NSHDSACASA-N 1 0 315.333 1.465 20 5 DDBDRO COc1cc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c([N+](=O)[O-])cc1OC ZINC000346840918 410189449 /nfs/dbraw/zinc/18/94/49/410189449.db2.gz GJFLINIBJVSNQG-CYZMBNFOSA-N 1 0 321.377 1.781 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1NC1CC[NH+](Cc2ccncc2)CC1 ZINC000298686235 410347341 /nfs/dbraw/zinc/34/73/41/410347341.db2.gz AYYKAALWCYWNBF-UHFFFAOYSA-N 1 0 316.365 1.800 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000351861725 410300746 /nfs/dbraw/zinc/30/07/46/410300746.db2.gz MABGXQZQRQDGFE-VXGBXAGGSA-N 1 0 306.366 1.511 20 5 DDBDRO C[C@@H](CNc1ncc([N+](=O)[O-])cc1C(N)=O)C[NH+]1CCCC1 ZINC000298721075 410367146 /nfs/dbraw/zinc/36/71/46/410367146.db2.gz KIKMCYRYMRXZQW-JTQLQIEISA-N 1 0 307.354 1.233 20 5 DDBDRO Nc1c(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cc(F)cc1[N+](=O)[O-] ZINC000299002317 410479230 /nfs/dbraw/zinc/47/92/30/410479230.db2.gz JWXRWTRYIVHTFN-VXGBXAGGSA-N 1 0 322.340 1.673 20 5 DDBDRO O=C(CCn1cc([N+](=O)[O-])cn1)NCCC[NH+]1CCCCC1 ZINC000299219865 410572511 /nfs/dbraw/zinc/57/25/11/410572511.db2.gz LEVGMKFRMZZVFB-UHFFFAOYSA-N 1 0 309.370 1.174 20 5 DDBDRO NC(=O)[C@@H]1CCC[N@H+](CCCNc2ccc([N+](=O)[O-])cc2F)C1 ZINC000301197144 410674963 /nfs/dbraw/zinc/67/49/63/410674963.db2.gz UQYJELUQTGODTP-LLVKDONJSA-N 1 0 324.356 1.733 20 5 DDBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)CC1 ZINC000301112193 410657709 /nfs/dbraw/zinc/65/77/09/410657709.db2.gz ONKOZEAHQBABQK-UHFFFAOYSA-N 1 0 318.377 1.583 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@H]1CCNC1=O ZINC000340217360 410760727 /nfs/dbraw/zinc/76/07/27/410760727.db2.gz BGJAXGRVDNRRMK-ZDUSSCGKSA-N 1 0 320.349 1.052 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[N@@H+](C)CC1 ZINC000340310434 410845325 /nfs/dbraw/zinc/84/53/25/410845325.db2.gz YEYVDOGBYVNULQ-UHFFFAOYSA-N 1 0 306.366 1.479 20 5 DDBDRO CC[N@@H+]1CCC[C@@H](CNc2ncc(C(=O)OC)cc2[N+](=O)[O-])C1 ZINC000302659361 410846002 /nfs/dbraw/zinc/84/60/02/410846002.db2.gz AQUVLRGMHFMWFD-NSHDSACASA-N 1 0 322.365 1.920 20 5 DDBDRO C[NH+]1CCC(CNC(=O)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000337604761 410892965 /nfs/dbraw/zinc/89/29/65/410892965.db2.gz UOFMKMLQPDPKRC-UHFFFAOYSA-N 1 0 321.377 1.822 20 5 DDBDRO COc1ccc(C[NH2+][C@@H](CO)C2CCOCC2)cc1[N+](=O)[O-] ZINC000359861022 410919983 /nfs/dbraw/zinc/91/99/83/410919983.db2.gz NFXAFKGTQKHZOL-ZDUSSCGKSA-N 1 0 310.350 1.481 20 5 DDBDRO CC(C)[C@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000331115288 410956996 /nfs/dbraw/zinc/95/69/96/410956996.db2.gz DGJDOWXLLVNHGT-OAHLLOKOSA-N 1 0 305.378 1.936 20 5 DDBDRO C[NH+](C)[C@H]1CCN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000331098620 410944476 /nfs/dbraw/zinc/94/44/76/410944476.db2.gz BUOCLCVFXNKHPT-VIFPVBQESA-N 1 0 313.304 1.578 20 5 DDBDRO COC(=O)c1cc(C)nc(NCCC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000341358513 411022670 /nfs/dbraw/zinc/02/26/70/411022670.db2.gz GLNZIDQWRQWJBK-UHFFFAOYSA-N 1 0 322.365 1.983 20 5 DDBDRO C[N@@H+](CCc1ccccc1O)CCn1cc([N+](=O)[O-])ccc1=O ZINC000344230874 411042787 /nfs/dbraw/zinc/04/27/87/411042787.db2.gz YKECYCYPNWIKKT-UHFFFAOYSA-N 1 0 317.345 1.637 20 5 DDBDRO CN(C)C(=O)CC[NH+]1CCC(Nc2ccccc2[N+](=O)[O-])CC1 ZINC000344402868 411102481 /nfs/dbraw/zinc/10/24/81/411102481.db2.gz BKOZUDMZRXJVRZ-UHFFFAOYSA-N 1 0 320.393 1.949 20 5 DDBDRO O=[N+]([O-])c1cccnc1NC[C@@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC000360230050 411107446 /nfs/dbraw/zinc/10/74/46/411107446.db2.gz LWPNGCKTUZAONB-QWHCGFSZSA-N 1 0 306.366 1.903 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000129514456 196054771 /nfs/dbraw/zinc/05/47/71/196054771.db2.gz YXZZSUGOQNKOEY-UHFFFAOYSA-N 1 0 309.370 1.179 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H](C[NH3+])CC(C)C ZINC000417187618 225237505 /nfs/dbraw/zinc/23/75/05/225237505.db2.gz VBFZZHHTSHNVIN-GFCCVEGCSA-N 1 0 324.381 1.776 20 5 DDBDRO CCOc1ccc(C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000366564875 418491435 /nfs/dbraw/zinc/49/14/35/418491435.db2.gz HMFMXBQEZOSZKZ-OLZOCXBDSA-N 1 0 319.361 1.818 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H]2C[NH+]2CCCC2)n1 ZINC000191790409 418523043 /nfs/dbraw/zinc/52/30/43/418523043.db2.gz FZEKVBZEBWRGSH-LBPRGKRZSA-N 1 0 321.381 1.512 20 5 DDBDRO CN1Cc2ccccc2[C@H](NC(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000366956236 418542911 /nfs/dbraw/zinc/54/29/11/418542911.db2.gz XRWRMOBWUIEBMS-CYBMUJFWSA-N 1 0 315.333 1.094 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N(C)CC2([NH+](C)C)CCC2)n1 ZINC000191720042 222107952 /nfs/dbraw/zinc/10/79/52/222107952.db2.gz BGDADVCHOYSCAZ-UHFFFAOYSA-N 1 0 309.370 1.368 20 5 DDBDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3N)C2)C1 ZINC000293617673 418580269 /nfs/dbraw/zinc/58/02/69/418580269.db2.gz DGTYAOBFRUIMHQ-OAHLLOKOSA-N 1 0 322.340 1.484 20 5 DDBDRO O=C(CCOc1ccccc1[N+](=O)[O-])NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000368177417 418699492 /nfs/dbraw/zinc/69/94/92/418699492.db2.gz GJAJCPVVGZOZNE-QWRGUYRKSA-N 1 0 311.313 1.180 20 5 DDBDRO CC[C@@H]([NH2+]CCNc1cnccn1)c1cccc([N+](=O)[O-])c1 ZINC000361985296 418735474 /nfs/dbraw/zinc/73/54/74/418735474.db2.gz XUCJSIOVELUYPE-CQSZACIVSA-N 1 0 301.350 2.538 20 5 DDBDRO C[NH+]1CCC2(CCCN(c3ncc([N+](=O)[O-])c(N)n3)C2)CC1 ZINC000369862704 418738740 /nfs/dbraw/zinc/73/87/40/418738740.db2.gz JQSYPYZBUIRQMD-UHFFFAOYSA-N 1 0 306.370 1.279 20 5 DDBDRO COC(=O)c1cnc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000365055772 418834564 /nfs/dbraw/zinc/83/45/64/418834564.db2.gz WJBLFOZWVNJZTE-NEPJUHHUSA-N 1 0 320.349 1.815 20 5 DDBDRO Cc1ccnc(N2CCC[N@H+](CC(C)(C)O)CC2)c1[N+](=O)[O-] ZINC000372593477 418886246 /nfs/dbraw/zinc/88/62/46/418886246.db2.gz MBSFLHUGWVRQBJ-UHFFFAOYSA-N 1 0 308.382 1.581 20 5 DDBDRO [NH3+][C@H]1CCC[C@]12CCN(C(=O)Cc1ccccc1[N+](=O)[O-])C2 ZINC000372777089 418900407 /nfs/dbraw/zinc/90/04/07/418900407.db2.gz SDHFMFHROSRRMT-GOEBONIOSA-N 1 0 303.362 1.867 20 5 DDBDRO C[NH2+][C@@H]1CCN(C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000417844048 419349903 /nfs/dbraw/zinc/34/99/03/419349903.db2.gz HJVRUJUVLUMVGD-DGCLKSJQSA-N 1 0 306.366 1.968 20 5 DDBDRO C[C@@H](NC(=O)NCCc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]C1 ZINC000417947118 419411534 /nfs/dbraw/zinc/41/15/34/419411534.db2.gz RXGQYOQUCLSUQP-TZMCWYRMSA-N 1 0 320.393 1.825 20 5 DDBDRO COC(=O)[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2C)CC[N@H+](C)C1 ZINC000411915461 419481012 /nfs/dbraw/zinc/48/10/12/419481012.db2.gz ZHDQRJLCOIWNPI-AWEZNQCLSA-N 1 0 321.377 1.440 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)C[C@H]1CCC[N@@H+]1C ZINC000421000788 419431521 /nfs/dbraw/zinc/43/15/21/419431521.db2.gz KNIQYJOOQUCFOE-CQSZACIVSA-N 1 0 320.393 1.868 20 5 DDBDRO CN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C[C@H]1CCC[N@@H+]1C ZINC000420996870 419435340 /nfs/dbraw/zinc/43/53/40/419435340.db2.gz GHYQFRNBLAXINB-CYBMUJFWSA-N 1 0 306.366 1.220 20 5 DDBDRO COC(=O)[C@H]1CN(Cc2ccccc2[N+](=O)[O-])CC[N@H+](C)C1 ZINC000411902311 419457182 /nfs/dbraw/zinc/45/71/82/419457182.db2.gz HWZDNIBMBYZMPH-CYBMUJFWSA-N 1 0 307.350 1.131 20 5 DDBDRO COC1([C@H](C)[NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CCC1 ZINC000412026751 419571000 /nfs/dbraw/zinc/57/10/00/419571000.db2.gz TYBSGUBULGBQIE-JTQLQIEISA-N 1 0 307.350 1.741 20 5 DDBDRO CC(C)[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C[C@H]1CCC(=O)N1 ZINC000412092233 419646568 /nfs/dbraw/zinc/64/65/68/419646568.db2.gz VQULFMLJZZQHSR-CYBMUJFWSA-N 1 0 321.377 1.963 20 5 DDBDRO CC(C)(NC(=O)N[C@H]1CCC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000418373365 419751265 /nfs/dbraw/zinc/75/12/65/419751265.db2.gz BQRMWOBONGKWSG-LBPRGKRZSA-N 1 0 306.366 1.881 20 5 DDBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NC[C@H]1CCC[NH2+]1 ZINC000414849436 419839441 /nfs/dbraw/zinc/83/94/41/419839441.db2.gz RDZCEQFAKJFAQO-DGCLKSJQSA-N 1 0 306.366 1.654 20 5 DDBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NCC(F)(F)CN ZINC000418529905 419861082 /nfs/dbraw/zinc/86/10/82/419861082.db2.gz YJUSDXLMTLYPRU-UHFFFAOYSA-N 1 0 316.308 1.373 20 5 DDBDRO Cn1cc(CN[C@@H]2[C@H]3C[NH2+]C[C@H]32)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000415048973 419921862 /nfs/dbraw/zinc/92/18/62/419921862.db2.gz ZXIZSTMEHPQKAL-FOLVSLTJSA-N 1 0 313.361 1.303 20 5 DDBDRO CC[NH2+]CCN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000423237876 419994019 /nfs/dbraw/zinc/99/40/19/419994019.db2.gz QGUNENLIWFTQMW-CQSZACIVSA-N 1 0 303.366 1.617 20 5 DDBDRO C[C@H]1CN(CCn2cc([N+](=O)[O-])cn2)CC[N@@H+](C2CCC2)C1 ZINC000429385351 420010714 /nfs/dbraw/zinc/01/07/14/420010714.db2.gz VKKVSZITFJTDHW-ZDUSSCGKSA-N 1 0 307.398 1.598 20 5 DDBDRO C[C@@H]([NH3+])c1ccc(CNC(=O)CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000429486570 420021303 /nfs/dbraw/zinc/02/13/03/420021303.db2.gz CXRDZSKNQIPVIL-LLVKDONJSA-N 1 0 317.349 1.518 20 5 DDBDRO [NH3+][C@@H](C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)C1CCC1 ZINC000423418528 420045787 /nfs/dbraw/zinc/04/57/87/420045787.db2.gz UUPIIVIABIBYMX-BXUZGUMPSA-N 1 0 319.365 1.130 20 5 DDBDRO CC[C@@H]([NH3+])CN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000423472879 420056462 /nfs/dbraw/zinc/05/64/62/420056462.db2.gz QKDLOWJIUPBNEN-TZMCWYRMSA-N 1 0 303.366 1.745 20 5 DDBDRO CNC(=O)[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430237706 420094953 /nfs/dbraw/zinc/09/49/53/420094953.db2.gz PKCYTMKOQBPCKU-LBPRGKRZSA-N 1 0 307.350 1.561 20 5 DDBDRO Cc1ccc(NC(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC000415557535 420110033 /nfs/dbraw/zinc/11/00/33/420110033.db2.gz JBVKZTCPKYLGBU-GHMZBOCLSA-N 1 0 320.349 1.051 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](CC[NH3+])C(F)F)c1 ZINC000423671087 420121536 /nfs/dbraw/zinc/12/15/36/420121536.db2.gz BRTBBHHIARQFIN-JTQLQIEISA-N 1 0 317.292 1.706 20 5 DDBDRO O=C([C@H]1C[NH2+]CCO1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000423720529 420140885 /nfs/dbraw/zinc/14/08/85/420140885.db2.gz HLQPJPOJBUWIDE-CQSZACIVSA-N 1 0 305.334 1.074 20 5 DDBDRO COc1cccc(C(=O)N2CC[C@]3(CC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC000423528064 420072402 /nfs/dbraw/zinc/07/24/02/420072402.db2.gz NOPVYUZVFGFBCA-HNNXBMFYSA-N 1 0 305.334 1.429 20 5 DDBDRO COc1cc(C(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)cc([N+](=O)[O-])c1C ZINC000423534390 420074624 /nfs/dbraw/zinc/07/46/24/420074624.db2.gz VUSBZNGLBDUNML-MNOVXSKESA-N 1 0 307.350 1.721 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000423534129 420075438 /nfs/dbraw/zinc/07/54/38/420075438.db2.gz VGJKDKVYXAFTGH-WDEREUQCSA-N 1 0 307.350 1.803 20 5 DDBDRO COc1ccc(OCCN2CC[C@@H]([NH3+])[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000430942889 420217219 /nfs/dbraw/zinc/21/72/19/420217219.db2.gz FECVLBHKDMLODU-DGCLKSJQSA-N 1 0 309.366 1.651 20 5 DDBDRO C[NH2+]C1CCN(CCOc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000430938162 420215570 /nfs/dbraw/zinc/21/55/70/420215570.db2.gz ARRQENSBGHXRCT-UHFFFAOYSA-N 1 0 309.366 1.666 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000430636930 420166363 /nfs/dbraw/zinc/16/63/63/420166363.db2.gz ZZKGBZICNGSNNV-LBPRGKRZSA-N 1 0 323.397 1.384 20 5 DDBDRO CC1(C)CCC[NH2+][C@H]1CNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000420247218 420168173 /nfs/dbraw/zinc/16/81/73/420168173.db2.gz UFQRWYIPQHTZLA-JTQLQIEISA-N 1 0 307.354 1.279 20 5 DDBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430967257 420228958 /nfs/dbraw/zinc/22/89/58/420228958.db2.gz REJNYMNSDSEULT-UTUOFQBUSA-N 1 0 306.366 1.591 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[NH2+][C@@H](C)[C@@H]1C ZINC000436061300 420305565 /nfs/dbraw/zinc/30/55/65/420305565.db2.gz TZAULZILVAXHNZ-RYUDHWBXSA-N 1 0 306.366 1.524 20 5 DDBDRO C[C@H]1CCC[N@H+](CCNc2c(C(N)=O)cccc2[N+](=O)[O-])C1 ZINC000420585841 420323536 /nfs/dbraw/zinc/32/35/36/420323536.db2.gz NFSGGRGPYRQTGY-NSHDSACASA-N 1 0 306.366 1.838 20 5 DDBDRO C[N@@H+]1CC[C@@]2(CCN(c3c(C(N)=O)cccc3[N+](=O)[O-])C2)C1 ZINC000420644194 420340267 /nfs/dbraw/zinc/34/02/67/420340267.db2.gz WPTKCXMHFVYUJP-OAHLLOKOSA-N 1 0 304.350 1.226 20 5 DDBDRO CN(C[C@@H]1CCC[N@@H+]1C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000420740720 420374652 /nfs/dbraw/zinc/37/46/52/420374652.db2.gz RVLJXDFMYDXACA-LBPRGKRZSA-N 1 0 313.379 1.310 20 5 DDBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@@H](n3ccnn3)C2)cc1 ZINC000425504906 420403449 /nfs/dbraw/zinc/40/34/49/420403449.db2.gz XOBLWHNGIPACMW-CQSZACIVSA-N 1 0 317.349 1.902 20 5 DDBDRO C[NH+](C)C[C@H](O)CN[C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417317126 420448860 /nfs/dbraw/zinc/44/88/60/420448860.db2.gz VRMGPQYHQCLVCJ-GDBMZVCRSA-N 1 0 307.394 1.874 20 5 DDBDRO Cc1ccc(NCCCNC(=O)N2CC[C@@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000417708886 420456999 /nfs/dbraw/zinc/45/69/99/420456999.db2.gz ALGGATWCPPKRHS-GFCCVEGCSA-N 1 0 321.381 1.448 20 5 DDBDRO O=C(/C=C\c1ccccc1[N+](=O)[O-])NCC[N@H+]1CC=CCC1 ZINC000492360628 420534258 /nfs/dbraw/zinc/53/42/58/420534258.db2.gz ACFCCODOJHHAJV-HJWRWDBZSA-N 1 0 301.346 1.986 20 5 DDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000417765017 420471970 /nfs/dbraw/zinc/47/19/70/420471970.db2.gz NHBAZCJDTKUDGB-ZIAGYGMSSA-N 1 0 318.377 1.531 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000450852620 420545610 /nfs/dbraw/zinc/54/56/10/420545610.db2.gz CYKWMOPOKZQZQM-RTXFEEFZSA-N 1 0 306.366 1.766 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)[C@H]1CC[N@@H+](C(C)C)C1 ZINC000457105359 420614643 /nfs/dbraw/zinc/61/46/43/420614643.db2.gz CDMQILOOSYOQDT-LBPRGKRZSA-N 1 0 309.370 1.041 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@H](C[NH3+])C[C@@H]1C ZINC000442755892 420707448 /nfs/dbraw/zinc/70/74/48/420707448.db2.gz JNCUANNMBPDUTE-RYUDHWBXSA-N 1 0 306.366 1.511 20 5 DDBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCC[C@H]1O ZINC000453405097 420724483 /nfs/dbraw/zinc/72/44/83/420724483.db2.gz IZRBGZGWHDPZDB-ZLKJLUDKSA-N 1 0 307.350 1.815 20 5 DDBDRO [NH3+]CC1CCN(C(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000493022612 420736606 /nfs/dbraw/zinc/73/66/06/420736606.db2.gz NNSGFTUCMHQRJC-RQOWECAXSA-N 1 0 307.325 1.944 20 5 DDBDRO CC1=CC[N@H+](CCN=c2[nH]c3ccc([N+](=O)[O-])cc3[nH]2)CC1 ZINC000447682815 420793834 /nfs/dbraw/zinc/79/38/34/420793834.db2.gz KFTUJRGQDHTKTG-UHFFFAOYSA-N 1 0 301.350 1.957 20 5 DDBDRO CNc1nc(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000454921238 420943079 /nfs/dbraw/zinc/94/30/79/420943079.db2.gz IIBVGGFIJGPVST-JTQLQIEISA-N 1 0 319.365 1.246 20 5 DDBDRO O=[N+]([O-])c1cccc(C[N@@H+]2C[C@H](O)C[C@@H]2[C@@H]2CCCOC2)c1 ZINC000449433159 421010570 /nfs/dbraw/zinc/01/05/70/421010570.db2.gz LASCQXKMVCSYIC-FVQBIDKESA-N 1 0 306.362 1.957 20 5 DDBDRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000487494261 421030753 /nfs/dbraw/zinc/03/07/53/421030753.db2.gz DDJFZZMCEULKSW-ONGXEEELSA-N 1 0 317.349 1.285 20 5 DDBDRO [NH3+][C@H]1CCC[C@@H](CNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000449635816 421041464 /nfs/dbraw/zinc/04/14/64/421041464.db2.gz CHSPHBDNIFPSKI-ZJUUUORDSA-N 1 0 317.349 1.718 20 5 DDBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@H]1CCC[N@@H+]1CCCO ZINC000450588459 421212923 /nfs/dbraw/zinc/21/29/23/421212923.db2.gz BIMRBXQMUFZSPM-GFCCVEGCSA-N 1 0 311.386 1.378 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000523545937 421241259 /nfs/dbraw/zinc/24/12/59/421241259.db2.gz YIOXUIMMHCJLDF-LBPRGKRZSA-N 1 0 306.366 1.491 20 5 DDBDRO Cc1noc(C)c1[C@@H](C)C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000515832322 421518836 /nfs/dbraw/zinc/51/88/36/421518836.db2.gz RQMFCZUHHQAGFX-ZANVPECISA-N 1 0 323.353 1.150 20 5 DDBDRO C[C@@H](CCC[NH3+])NC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000516553994 421551746 /nfs/dbraw/zinc/55/17/46/421551746.db2.gz FMYZUTIQRVNLOO-NSHDSACASA-N 1 0 310.354 1.400 20 5 DDBDRO CCC[NH+]1CCC(NC(=O)c2ccnc(NC)c2[N+](=O)[O-])CC1 ZINC000565174673 421596481 /nfs/dbraw/zinc/59/64/81/421596481.db2.gz WINOUUXXFYNVHR-UHFFFAOYSA-N 1 0 321.381 1.636 20 5 DDBDRO COc1ccc(C[NH2+]C[C@H]2CC(=O)N(C3CC3)C2)cc1[N+](=O)[O-] ZINC000516301827 421539287 /nfs/dbraw/zinc/53/92/87/421539287.db2.gz RTGWXNFSUUIJKJ-GFCCVEGCSA-N 1 0 319.361 1.704 20 5 DDBDRO CCc1n[nH]c(C(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000518026771 421637056 /nfs/dbraw/zinc/63/70/56/421637056.db2.gz FJNRDLUWOGRPPM-JTQLQIEISA-N 1 0 309.370 1.340 20 5 DDBDRO Cc1cc(CC[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])on1 ZINC000518172298 421641925 /nfs/dbraw/zinc/64/19/25/421641925.db2.gz RDSCQCQPSKAXNY-GFCCVEGCSA-N 1 0 321.333 1.463 20 5 DDBDRO C[NH+](C)C1CCN(CCNc2ncc([N+](=O)[O-])cc2F)CC1 ZINC000519527519 421697494 /nfs/dbraw/zinc/69/74/94/421697494.db2.gz PCQGGHYVMGVBHL-UHFFFAOYSA-N 1 0 311.361 1.567 20 5 DDBDRO CC(C)[N@@H+]1CC[C@@H](CNc2ncc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000520065303 421738793 /nfs/dbraw/zinc/73/87/93/421738793.db2.gz RKEMPGWJNQTONA-JTQLQIEISA-N 1 0 307.354 1.231 20 5 DDBDRO CN(C)C(=O)C(C)(C)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000556810657 421740877 /nfs/dbraw/zinc/74/08/77/421740877.db2.gz JOVFGPOWUHBOOV-UHFFFAOYSA-N 1 0 322.365 1.380 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cn1 ZINC000538743386 421742911 /nfs/dbraw/zinc/74/29/11/421742911.db2.gz AHMXLJKDFCTQQV-KGLIPLIRSA-N 1 0 306.366 1.415 20 5 DDBDRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC000559368079 421833758 /nfs/dbraw/zinc/83/37/58/421833758.db2.gz VCGRNVOGNFSVKU-RYUDHWBXSA-N 1 0 323.397 1.806 20 5 DDBDRO C[C@H]1C[C@@H](NC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)CC[NH2+]1 ZINC000557222334 421765724 /nfs/dbraw/zinc/76/57/24/421765724.db2.gz UUTQZYQHFKHLSH-AAEUAGOBSA-N 1 0 318.377 1.803 20 5 DDBDRO C[NH2+]CCS[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000572154178 421767144 /nfs/dbraw/zinc/76/71/44/421767144.db2.gz FYXPJXFPSPZWPA-SECBINFHSA-N 1 0 313.379 1.883 20 5 DDBDRO Cc1[nH]nc(C(=O)Nc2ccccc2C[NH+](C)C)c1[N+](=O)[O-] ZINC000573991405 422045140 /nfs/dbraw/zinc/04/51/40/422045140.db2.gz YPGLLUJXFCWRED-UHFFFAOYSA-N 1 0 303.322 1.940 20 5 DDBDRO O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000594436505 422348734 /nfs/dbraw/zinc/34/87/34/422348734.db2.gz NNDWYNZGBCKCDA-IAQYHMDHSA-N 1 0 315.333 1.799 20 5 DDBDRO CC(C)[NH2+]C1(CO)CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000575999727 422357566 /nfs/dbraw/zinc/35/75/66/422357566.db2.gz LXBSVXCUPADRNF-UHFFFAOYSA-N 1 0 321.421 1.962 20 5 DDBDRO Nc1ccc(N[C@H]2CC[N@@H+](C3CCCCC3)C2)nc1[N+](=O)[O-] ZINC000596481103 422377340 /nfs/dbraw/zinc/37/73/40/422377340.db2.gz XIMMDSJEFSDMQS-NSHDSACASA-N 1 0 305.382 2.391 20 5 DDBDRO C[C@H]1C[NH+](CCCCNc2ccc(N)c([N+](=O)[O-])n2)C[C@H](C)O1 ZINC000590584695 422320684 /nfs/dbraw/zinc/32/06/84/422320684.db2.gz ACIYOHRFQBJYKB-RYUDHWBXSA-N 1 0 323.397 1.873 20 5 DDBDRO Cc1ccnc(NCCCC[NH+]2CCN(C)CC2)c1[N+](=O)[O-] ZINC000609669393 422463579 /nfs/dbraw/zinc/46/35/79/422463579.db2.gz YXAXNTMDDMGLKT-UHFFFAOYSA-N 1 0 307.398 1.738 20 5 DDBDRO O=C1CCCN1CC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000579016514 422690770 /nfs/dbraw/zinc/69/07/70/422690770.db2.gz RFBFEHDOOZZUFX-OLZOCXBDSA-N 1 0 321.381 1.487 20 5 DDBDRO COC[C@]1(CNC(=O)/C=C\c2cccc([N+](=O)[O-])c2)CCC[NH2+]1 ZINC000323702337 271031257 /nfs/dbraw/zinc/03/12/57/271031257.db2.gz GHQRGDIOOUCTAS-MWWKQMNYSA-N 1 0 319.361 1.493 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@H]2COCC[C@H]21 ZINC000341583120 271127147 /nfs/dbraw/zinc/12/71/47/271127147.db2.gz UISULLXAWUIHOU-GXTWGEPZSA-N 1 0 307.350 1.257 20 5 DDBDRO C[C@@H]([NH2+]CCCS(=O)(=O)N(C)C)c1ccccc1[N+](=O)[O-] ZINC000342295887 271370180 /nfs/dbraw/zinc/37/01/80/271370180.db2.gz PWUYMILHAOHBPP-LLVKDONJSA-N 1 0 315.395 1.527 20 5 DDBDRO CS[C@H]1CN(c2cccc(C(N)=O)c2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000342699380 271480252 /nfs/dbraw/zinc/48/02/52/271480252.db2.gz IFBTZDNRDDHWCZ-NEPJUHHUSA-N 1 0 324.406 1.176 20 5 DDBDRO C[C@H](C[NH3+])NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000347608574 272724759 /nfs/dbraw/zinc/72/47/59/272724759.db2.gz CPBGKWXRVIPJMK-SSDOTTSWSA-N 1 0 321.255 1.613 20 5 DDBDRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000427968820 274338258 /nfs/dbraw/zinc/33/82/58/274338258.db2.gz VHDAEBSRGVCDHV-BXUZGUMPSA-N 1 0 319.361 1.514 20 5 DDBDRO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000157768733 274949109 /nfs/dbraw/zinc/94/91/09/274949109.db2.gz BUOQSIUVOYHJLS-UFBFGSQYSA-N 1 0 308.294 1.360 20 5 DDBDRO [NH3+]C[C@H]1CCC[C@H]1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000157768300 274952737 /nfs/dbraw/zinc/95/27/37/274952737.db2.gz BUOQSIUVOYHJLS-PRHODGIISA-N 1 0 308.294 1.360 20 5 DDBDRO CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000423828008 275715889 /nfs/dbraw/zinc/71/58/89/275715889.db2.gz PIDWZLNTOYTVHF-UKRRQHHQSA-N 1 0 318.377 1.509 20 5 DDBDRO CC[N@@H+]1CCC[C@H](NC(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])C1 ZINC000331225060 276178596 /nfs/dbraw/zinc/17/85/96/276178596.db2.gz XLPFUVDJYLDVTB-JTQLQIEISA-N 1 0 309.370 1.655 20 5 DDBDRO CN1CCN(C)[C@H](C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000278849944 277102844 /nfs/dbraw/zinc/10/28/44/277102844.db2.gz VPMDHOSDTOTRMH-NVXWUHKLSA-N 1 0 318.421 1.808 20 5 DDBDRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000286303154 278570534 /nfs/dbraw/zinc/57/05/34/278570534.db2.gz XOVAMFQPHRBTDA-XHBSWPGZSA-N 1 0 320.393 1.900 20 5 DDBDRO C[C@H](C[C@H](C)[NH3+])NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000423038577 279370270 /nfs/dbraw/zinc/37/02/70/279370270.db2.gz OMGSLKVDBCJGQN-WDEREUQCSA-N 1 0 315.395 1.084 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H]([NH3+])C2CC2)c1C ZINC000194730920 281015790 /nfs/dbraw/zinc/01/57/90/281015790.db2.gz FNLJTPZXGYXZAZ-LLVKDONJSA-N 1 0 313.379 1.227 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000126255707 281232042 /nfs/dbraw/zinc/23/20/42/281232042.db2.gz SGJAKNWLDUIDLT-UHFFFAOYSA-N 1 0 321.337 1.125 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCCC[NH+]1CCCCC1 ZINC000299644598 293395700 /nfs/dbraw/zinc/39/57/00/293395700.db2.gz QVRZOGQLKRYBDA-UHFFFAOYSA-N 1 0 323.397 1.482 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)c1 ZINC000284896891 295254492 /nfs/dbraw/zinc/25/44/92/295254492.db2.gz HHRAINCVHLNRLZ-LSDHHAIUSA-N 1 0 307.350 1.513 20 5 DDBDRO COC(=O)C[C@@]1([NH2+]Cc2ccc([N+](=O)[O-])cc2C)CCOC1 ZINC000361728442 299926340 /nfs/dbraw/zinc/92/63/40/299926340.db2.gz KIKJJAZEJGUMOQ-HNNXBMFYSA-N 1 0 308.334 1.715 20 5 DDBDRO O=C(CC[NH2+]CCC1(CO)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000572879821 304561876 /nfs/dbraw/zinc/56/18/76/304561876.db2.gz YXNVPXMIOWVRES-UHFFFAOYSA-N 1 0 307.350 1.676 20 5 DDBDRO Cn1nc([N+](=O)[O-])cc1C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000356456074 298795868 /nfs/dbraw/zinc/79/58/68/298795868.db2.gz HVOLDEWGLNVGNA-UHFFFAOYSA-N 1 0 317.349 1.685 20 5 DDBDRO Cn1nc([N+](=O)[O-])cc1C(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000356495821 298806908 /nfs/dbraw/zinc/80/69/08/298806908.db2.gz GRAAZOPSKGJSIE-LBPRGKRZSA-N 1 0 317.349 1.361 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357090372 298961818 /nfs/dbraw/zinc/96/18/18/298961818.db2.gz VHEBBANZHWWBSY-CHWSQXEVSA-N 1 0 318.377 1.383 20 5 DDBDRO NC(=O)c1ccnc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000357312604 299005986 /nfs/dbraw/zinc/00/59/86/299005986.db2.gz JNAMULTUGNQHIS-VHSXEESVSA-N 1 0 305.338 1.127 20 5 DDBDRO C[C@@H]1Oc2ccccc2[C@H]1[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000574270759 304642456 /nfs/dbraw/zinc/64/24/56/304642456.db2.gz KAFZKLYAKIMREW-WBIUFABUSA-N 1 0 318.333 1.264 20 5 DDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000363265560 300241785 /nfs/dbraw/zinc/24/17/85/300241785.db2.gz FYFAKBOAEKPFSW-LSDHHAIUSA-N 1 0 319.361 1.117 20 5 DDBDRO [NH3+][C@@H]1CCC[C@@]12CCN(C(=O)Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000364252114 300362583 /nfs/dbraw/zinc/36/25/83/300362583.db2.gz BZXUIFRXRZLRIK-ZBFHGGJFSA-N 1 0 303.362 1.867 20 5 DDBDRO CCc1ccc(C(=O)N2C[C@@H](F)C[C@H]2C[NH2+]C)cc1[N+](=O)[O-] ZINC000366945949 300777425 /nfs/dbraw/zinc/77/74/25/300777425.db2.gz QOWWUYYCHMXYQT-STQMWFEESA-N 1 0 309.341 1.929 20 5 DDBDRO COc1ccc(C[NH2+][C@H]2CCc3nc[nH]c3C2)cc1[N+](=O)[O-] ZINC000368688240 301075561 /nfs/dbraw/zinc/07/55/61/301075561.db2.gz NQIQNYIGILDBSQ-NSHDSACASA-N 1 0 302.334 1.974 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000368925812 301106328 /nfs/dbraw/zinc/10/63/28/301106328.db2.gz LXFRYONGVBKFMC-ZDUSSCGKSA-N 1 0 321.381 1.187 20 5 DDBDRO CC(C)OC[C@@H](O)C[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369012207 301119210 /nfs/dbraw/zinc/11/92/10/301119210.db2.gz UMXJYJZBBXLXBR-OCCSQVGLSA-N 1 0 312.370 1.214 20 5 DDBDRO O=[N+]([O-])c1cccc(CN2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c1 ZINC000369234879 301147835 /nfs/dbraw/zinc/14/78/35/301147835.db2.gz GCSQBHFHGIFESZ-HZPDHXFCSA-N 1 0 305.378 1.626 20 5 DDBDRO Nc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000371626653 301484615 /nfs/dbraw/zinc/48/46/15/301484615.db2.gz HPCAJCBLUBKINW-NSHDSACASA-N 1 0 319.365 1.130 20 5 DDBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000375066625 301887857 /nfs/dbraw/zinc/88/78/57/301887857.db2.gz VYVDRXBLTVAGSP-IUCAKERBSA-N 1 0 301.343 1.737 20 5 DDBDRO CCc1nn(C)c(N2CC[C@@H](C[NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000377178522 302152193 /nfs/dbraw/zinc/15/21/93/302152193.db2.gz IZRSGHLNVLJHLL-LBPRGKRZSA-N 1 0 307.398 1.813 20 5 DDBDRO NC(=O)C[C@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000377495281 302185841 /nfs/dbraw/zinc/18/58/41/302185841.db2.gz XOEWUGZNLFBFSR-LLVKDONJSA-N 1 0 320.349 1.121 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)n1 ZINC000377791133 302233849 /nfs/dbraw/zinc/23/38/49/302233849.db2.gz ZDLPFZIAUNBWFZ-TZMCWYRMSA-N 1 0 306.366 1.825 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC(C)(C)CC[NH3+] ZINC000397202705 302352303 /nfs/dbraw/zinc/35/23/03/302352303.db2.gz XIEOIFKMMRVCCP-UHFFFAOYSA-N 1 0 317.367 1.009 20 5 DDBDRO C[NH2+]C[C@@H]1CCCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000519706791 302850086 /nfs/dbraw/zinc/85/00/86/302850086.db2.gz LVLYNZXLMZCPQX-JTQLQIEISA-N 1 0 321.333 1.395 20 5 DDBDRO C[NH+](C)CCCCC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000520269415 302859984 /nfs/dbraw/zinc/85/99/84/302859984.db2.gz RXWKTDNZOAMWJK-UHFFFAOYSA-N 1 0 309.366 1.822 20 5 DDBDRO CNc1ccc(C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000532078037 303274917 /nfs/dbraw/zinc/27/49/17/303274917.db2.gz IJQDDULYVBYBNF-QMTHXVAHSA-N 1 0 318.377 1.849 20 5 DDBDRO O=C(c1c[nH]nc1[N+](=O)[O-])N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000548941725 303599732 /nfs/dbraw/zinc/59/97/32/303599732.db2.gz GHMZPOGAGKXWKT-LLVKDONJSA-N 1 0 307.354 1.408 20 5 DDBDRO Cn1cc(C(=O)NCCCC[NH3+])c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000357792573 306915049 /nfs/dbraw/zinc/91/50/49/306915049.db2.gz BHAQKZYRCDJFDK-UHFFFAOYSA-N 1 0 317.349 1.464 20 5 DDBDRO C[C@@H]([NH3+])C[C@@H](C)NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000563127284 303924138 /nfs/dbraw/zinc/92/41/38/303924138.db2.gz YVQUODGCNYXPHR-GHMZBOCLSA-N 1 0 315.395 1.183 20 5 DDBDRO Cn1cnc(CC[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000358397767 306941149 /nfs/dbraw/zinc/94/11/49/306941149.db2.gz KTILLEWXFWVGBH-CQSZACIVSA-N 1 0 315.377 1.877 20 5 DDBDRO CCc1ccc([C@H](CO)[NH2+]CCn2ccc([N+](=O)[O-])n2)cc1 ZINC000359624378 306958329 /nfs/dbraw/zinc/95/83/29/306958329.db2.gz IDSKHGQFNZCURW-AWEZNQCLSA-N 1 0 304.350 1.677 20 5 DDBDRO Cc1nn(C)c(C(=O)Nc2cccc3c2C[NH2+]CC3)c1[N+](=O)[O-] ZINC000367653493 307100320 /nfs/dbraw/zinc/10/03/20/307100320.db2.gz NSYBHKOHEZCZMB-UHFFFAOYSA-N 1 0 315.333 1.535 20 5 DDBDRO COC(=O)[C@]12C[N@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@H]1COCC2 ZINC000369541924 307122998 /nfs/dbraw/zinc/12/29/98/307122998.db2.gz QYFXWDORHVYPQE-XJKSGUPXSA-N 1 0 320.345 1.606 20 5 DDBDRO O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)[C@@H]1C[C@@H]1[N+](=O)[O-] ZINC000372658340 307172721 /nfs/dbraw/zinc/17/27/21/307172721.db2.gz YAFABQJYWLYJIZ-ZNMIVQPWSA-N 1 0 303.362 1.432 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000391701623 307294452 /nfs/dbraw/zinc/29/44/52/307294452.db2.gz BWLMWAIICOYOGW-UHFFFAOYSA-N 1 0 316.317 1.668 20 5 DDBDRO C[C@@]1(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CCOC1 ZINC000517732495 307436017 /nfs/dbraw/zinc/43/60/17/307436017.db2.gz JMOQZTCGCZTDOA-WFASDCNBSA-N 1 0 310.350 1.351 20 5 DDBDRO CN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H]1CC[NH2+]C1 ZINC000521045611 307464454 /nfs/dbraw/zinc/46/44/54/307464454.db2.gz YZEOZBRFIDCJRF-GFCCVEGCSA-N 1 0 303.322 1.439 20 5 DDBDRO CC[C@@H](CCO)C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000563144745 307958399 /nfs/dbraw/zinc/95/83/99/307958399.db2.gz XJFXZOGCGFRGBQ-LBPRGKRZSA-N 1 0 309.366 1.922 20 5 DDBDRO COCC[N@H+](C)C[C@H](O)CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000565169269 308022860 /nfs/dbraw/zinc/02/28/60/308022860.db2.gz GBXMZLOQTJFXNC-SWLSCSKDSA-N 1 0 311.382 1.185 20 5 DDBDRO [NH3+]C[C@H](NC(=O)NCc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000566845095 308064672 /nfs/dbraw/zinc/06/46/72/308064672.db2.gz NZMIOZKFBMRCAS-AWEZNQCLSA-N 1 0 306.366 1.912 20 5 DDBDRO C[N@@H+]1CCN(CCn2cc([N+](=O)[O-])cn2)CC12CCCCC2 ZINC000567624367 308087176 /nfs/dbraw/zinc/08/71/76/308087176.db2.gz NANWJVKSLOKUHE-UHFFFAOYSA-N 1 0 307.398 1.742 20 5 DDBDRO C[C@H](C[C@H]1CCCO1)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000567681721 308089329 /nfs/dbraw/zinc/08/93/29/308089329.db2.gz ZZYDPYVAQNJFLX-VHDGCEQUSA-N 1 0 324.377 1.882 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC(=O)NCC(F)F ZINC000568156341 308108650 /nfs/dbraw/zinc/10/86/50/308108650.db2.gz AGWSZHZAECJCKY-VIFPVBQESA-N 1 0 301.293 1.935 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@]1(O)C[NH+]2CCC1CC2 ZINC000570267101 308165184 /nfs/dbraw/zinc/16/51/84/308165184.db2.gz CWVHXXMUKLXYBZ-MRXNPFEDSA-N 1 0 319.361 1.090 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CCC(F)(F)F ZINC000575981832 308284500 /nfs/dbraw/zinc/28/45/00/308284500.db2.gz ZLBJFQIEKWYJCB-SECBINFHSA-N 1 0 308.256 1.877 20 5 DDBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000576755630 308337222 /nfs/dbraw/zinc/33/72/22/308337222.db2.gz SWYNDOFTKMAAOD-DCAQKATOSA-N 1 0 322.365 1.014 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@@H]2CCSC2)c1 ZINC000576980371 308354077 /nfs/dbraw/zinc/35/40/77/308354077.db2.gz XXSKPYSPKBMRQL-WCQYABFASA-N 1 0 312.391 1.677 20 5 DDBDRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000577354986 308381013 /nfs/dbraw/zinc/38/10/13/308381013.db2.gz XFGBMCRAKXVYLJ-NWDGAFQWSA-N 1 0 322.365 1.365 20 5 DDBDRO CC(C)c1ccc(CN2CCN(C)C[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000577513730 308394712 /nfs/dbraw/zinc/39/47/12/308394712.db2.gz WMPPATAOUVGNRH-AWEZNQCLSA-N 1 0 306.410 1.793 20 5 DDBDRO C[C@@H](Cn1ccnc1)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000580064270 308576920 /nfs/dbraw/zinc/57/69/20/308576920.db2.gz SXJJYZXILAYEOY-JSGCOSHPSA-N 1 0 320.349 1.209 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CC2(CO)CCCC2)c1 ZINC000580563736 308614703 /nfs/dbraw/zinc/61/47/03/308614703.db2.gz AREZLFKZUFMAFR-AWEZNQCLSA-N 1 0 324.377 1.477 20 5 DDBDRO COc1ccc(CC(=O)NCC2(C)CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000583559531 335727574 /nfs/dbraw/zinc/72/75/74/335727574.db2.gz ZYSPDUBBDGKHCA-UHFFFAOYSA-N 1 0 321.377 1.652 20 5 DDBDRO [NH3+][C@H](CNC(=O)NCCOc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000584458919 337343785 /nfs/dbraw/zinc/34/37/85/337343785.db2.gz AQCLJLOISFRYJZ-CYBMUJFWSA-N 1 0 308.338 1.010 20 5 DDBDRO Cc1cc(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)ccc1[N+](=O)[O-] ZINC000307804783 484376828 /nfs/dbraw/zinc/37/68/28/484376828.db2.gz CQJJWKMOUXDMMC-JTQLQIEISA-N 1 0 305.256 1.913 20 5 DDBDRO CC[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000361591240 484521394 /nfs/dbraw/zinc/52/13/94/484521394.db2.gz YPNRDUHHDYWNKI-OLZOCXBDSA-N 1 0 310.350 1.445 20 5 DDBDRO C[C@@H]1C[C@H](C[NH3+])CN1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000447249505 533842979 /nfs/dbraw/zinc/84/29/79/533842979.db2.gz UNFIOULFFBHPTJ-ZYHUDNBSSA-N 1 0 313.379 1.094 20 5 DDBDRO COC(=O)c1cc(NC(=O)N(C)CC[NH3+])c(C)c([N+](=O)[O-])c1 ZINC000415604871 533865454 /nfs/dbraw/zinc/86/54/54/533865454.db2.gz WQNAXYFXSMVHOM-UHFFFAOYSA-N 1 0 310.310 1.112 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC[NH2+]C(C)(C)C1 ZINC000420269696 533931771 /nfs/dbraw/zinc/93/17/71/533931771.db2.gz FWVPMUVHFBJFON-UHFFFAOYSA-N 1 0 307.350 1.878 20 5 DDBDRO Cc1c([C@@H](C)[NH2+]C[C@@H](O)Cn2ccnn2)cccc1[N+](=O)[O-] ZINC000414203629 533943042 /nfs/dbraw/zinc/94/30/42/533943042.db2.gz ZPTFYAYXZHGWKA-VXGBXAGGSA-N 1 0 305.338 1.206 20 5 DDBDRO C[C@@H]1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000424022223 533944668 /nfs/dbraw/zinc/94/46/68/533944668.db2.gz UUSLDJSCGOZOCI-OCCSQVGLSA-N 1 0 305.378 1.971 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000295590746 534336162 /nfs/dbraw/zinc/33/61/62/534336162.db2.gz WMLXICCTHVVEFC-CYBMUJFWSA-N 1 0 321.377 1.480 20 5 DDBDRO CC(C)N(C)C(=O)C1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000157678359 519587589 /nfs/dbraw/zinc/58/75/89/519587589.db2.gz MYZGJUNCUDMFLK-UHFFFAOYSA-N 1 0 323.397 1.370 20 5 DDBDRO Cn1c(C(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)ccc1[N+](=O)[O-] ZINC000424043095 534678013 /nfs/dbraw/zinc/67/80/13/534678013.db2.gz QMAZOSBRFRIGSV-AWEZNQCLSA-N 1 0 320.393 1.784 20 5 DDBDRO [NH3+][C@H]1CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000422772365 534727998 /nfs/dbraw/zinc/72/79/98/534727998.db2.gz XBVIVHLMROOTPJ-VIFPVBQESA-N 1 0 315.782 1.900 20 5 DDBDRO CC(C)(O)C[NH+]1CCN(Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000319176946 527345381 /nfs/dbraw/zinc/34/53/81/527345381.db2.gz IYBXYUHZLDMAMG-UHFFFAOYSA-N 1 0 311.357 1.622 20 5 DDBDRO CCO[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000452029094 527756381 /nfs/dbraw/zinc/75/63/81/527756381.db2.gz XTLYUFZSELMRNH-NUEKZKHPSA-N 1 0 324.377 1.882 20 5 DDBDRO CC[N@H+](C)CCNC(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000299299584 527795332 /nfs/dbraw/zinc/79/53/32/527795332.db2.gz ZGWUAKPOBWVKBG-UHFFFAOYSA-N 1 0 310.354 1.354 20 5 DDBDRO CC[N@@H+]1CC[C@H]2OCCN(Cc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000293249157 527903034 /nfs/dbraw/zinc/90/30/34/527903034.db2.gz LYMRGMPUKVYWSK-JKSUJKDBSA-N 1 0 305.378 1.890 20 5 DDBDRO CC[NH2+][C@H](C)CNC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000418592745 528399701 /nfs/dbraw/zinc/39/97/01/528399701.db2.gz PVXVGHINYARUQH-GFCCVEGCSA-N 1 0 308.382 1.777 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C[NH2+]C)C2)c1 ZINC000422802786 528610946 /nfs/dbraw/zinc/61/09/46/528610946.db2.gz DSZVWXRRHGKFDY-NSHDSACASA-N 1 0 307.350 1.675 20 5 DDBDRO CC1(C)CCC[N@H+](CCNC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000444616868 528934347 /nfs/dbraw/zinc/93/43/47/528934347.db2.gz DXKLEKWLYKBHCL-UHFFFAOYSA-N 1 0 323.397 1.420 20 5 DDBDRO CC[N@@H+]1CCC[C@@H]1CNc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000821266279 599146664 /nfs/dbraw/zinc/14/66/64/599146664.db2.gz AHBYSYNQZJGTGY-SECBINFHSA-N 1 0 318.341 1.066 20 5 DDBDRO C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CC[N@@H+]1C ZINC000820664758 599590368 /nfs/dbraw/zinc/59/03/68/599590368.db2.gz BQDHMOSQSCXTNL-VHSXEESVSA-N 1 0 317.353 1.670 20 5 DDBDRO CC1(C)CN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC[NH2+]1 ZINC000747921048 700092507 /nfs/dbraw/zinc/09/25/07/700092507.db2.gz HIMYCFKLJIXVKI-UHFFFAOYSA-N 1 0 311.313 1.323 20 5 DDBDRO Cc1cc(C(=O)NC[C@H](C2CC2)[NH+](C)C)c(N)c([N+](=O)[O-])c1 ZINC000104856335 696621064 /nfs/dbraw/zinc/62/10/64/696621064.db2.gz SKDLRVNAEWOETE-CYBMUJFWSA-N 1 0 306.366 1.555 20 5 DDBDRO CC(C)C[C@@H](C[NH3+])NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000124206754 696740353 /nfs/dbraw/zinc/74/03/53/696740353.db2.gz HDOLJHHYWLKOFY-VIFPVBQESA-N 1 0 319.358 1.386 20 5 DDBDRO C[C@@H]1CN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])[C@@H](C)C[NH2+]1 ZINC000129771800 696791541 /nfs/dbraw/zinc/79/15/41/696791541.db2.gz PKXHEHYMDVYVOM-BDAKNGLRSA-N 1 0 317.342 1.105 20 5 DDBDRO C[NH+]1CCC2(CCN2C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000748326677 700110911 /nfs/dbraw/zinc/11/09/11/700110911.db2.gz ZPFCYHANIURFRJ-UHFFFAOYSA-N 1 0 303.362 1.834 20 5 DDBDRO O=C(C[C@H]1CCC[NH2+]1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000194019103 697688391 /nfs/dbraw/zinc/68/83/91/697688391.db2.gz KFDMZZHROYTQLF-CYBMUJFWSA-N 1 0 318.377 1.386 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH+]2CCC(C3OCCO3)CC2)cc1 ZINC000776581081 698120861 /nfs/dbraw/zinc/12/08/61/698120861.db2.gz DXXABDXEWJTKCG-HNNXBMFYSA-N 1 0 322.361 1.713 20 5 DDBDRO COCCOC1CC[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776584273 698121347 /nfs/dbraw/zinc/12/13/47/698121347.db2.gz JVSGBEXHMCEUQH-INIZCTEOSA-N 1 0 324.377 1.756 20 5 DDBDRO CC[C@@](C)(CC(=O)OC)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776591407 698123701 /nfs/dbraw/zinc/12/37/01/698123701.db2.gz MFOGNSMDZVKCGT-HIFRSBDPSA-N 1 0 310.350 1.950 20 5 DDBDRO CC(=O)N1CC[C@@H](C[N@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776594041 698124708 /nfs/dbraw/zinc/12/47/08/698124708.db2.gz RZAKMXGHKGMOAD-BBRMVZONSA-N 1 0 321.377 1.428 20 5 DDBDRO COc1ccc(CN2CC[NH+](CCCCO)CC2)cc1[N+](=O)[O-] ZINC000750057935 700201476 /nfs/dbraw/zinc/20/14/76/700201476.db2.gz ZDHLEQWPHJTTBG-UHFFFAOYSA-N 1 0 323.393 1.494 20 5 DDBDRO COc1cc(C(=O)N2C[C@@H](C[NH3+])C[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000261882519 698442856 /nfs/dbraw/zinc/44/28/56/698442856.db2.gz MRHNHXVTHJILSR-NXEZZACHSA-N 1 0 323.349 1.421 20 5 DDBDRO COC[C@@]1(C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)CC[NH2+]C1 ZINC000262471925 698471125 /nfs/dbraw/zinc/47/11/25/698471125.db2.gz JIHNUNULZKXQDC-CQSZACIVSA-N 1 0 309.322 1.168 20 5 DDBDRO C[C@@H](CNc1ccc([N+](=O)[O-])cc1C(=O)NC1CC1)[NH+](C)C ZINC000785779237 699101297 /nfs/dbraw/zinc/10/12/97/699101297.db2.gz ODMWDBQPQYPTMG-JTQLQIEISA-N 1 0 306.366 1.849 20 5 DDBDRO COCCN1CC[C@@H]([NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000788592504 699326001 /nfs/dbraw/zinc/32/60/01/699326001.db2.gz CEQZEGLPEFFTBV-WCQYABFASA-N 1 0 308.382 1.548 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCCCC[NH+](C)C ZINC000733160419 699581157 /nfs/dbraw/zinc/58/11/57/699581157.db2.gz APADHGVMNLOKKN-UHFFFAOYSA-N 1 0 308.382 1.732 20 5 DDBDRO O=[N+]([O-])c1c(N2CC[NH+](C3CCC3)CC2)nc2ccccn21 ZINC000733302288 699587965 /nfs/dbraw/zinc/58/79/65/699587965.db2.gz NBDGALGIIDHYHK-UHFFFAOYSA-N 1 0 301.350 1.917 20 5 DDBDRO C[C@@H](NC(=O)OC(C)(C)C)C1CC[NH+](CC[N+](=O)[O-])CC1 ZINC000791054177 699608947 /nfs/dbraw/zinc/60/89/47/699608947.db2.gz YIFWYRHELRPCFA-LLVKDONJSA-N 1 0 301.387 1.888 20 5 DDBDRO C[NH+]1CC2(C1)CCN(C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C2 ZINC000791246058 699617215 /nfs/dbraw/zinc/61/72/15/699617215.db2.gz RPDWDFRXEGDRLN-QPJJXVBHSA-N 1 0 301.346 1.772 20 5 DDBDRO COc1c(C(=O)N[C@H](C[NH+](C)C)C(C)C)cccc1[N+](=O)[O-] ZINC000793493598 699760950 /nfs/dbraw/zinc/76/09/50/699760950.db2.gz OJLLDCWSGZCLGA-GFCCVEGCSA-N 1 0 309.366 1.919 20 5 DDBDRO CC[N@H+](CCc1ccccn1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000744389771 699947308 /nfs/dbraw/zinc/94/73/08/699947308.db2.gz JYSBOQMZANVFFS-OAHLLOKOSA-N 1 0 319.365 1.112 20 5 DDBDRO C[NH+]1CCC(CNC(=S)NNc2cccc([N+](=O)[O-])c2)CC1 ZINC000760465176 700809140 /nfs/dbraw/zinc/80/91/40/700809140.db2.gz FERUJPUVRGAHME-UHFFFAOYSA-N 1 0 323.422 1.728 20 5 DDBDRO C[C@@H](CC(N)=O)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000763396735 700936579 /nfs/dbraw/zinc/93/65/79/700936579.db2.gz DXHVWJPBUGHCJX-NSHDSACASA-N 1 0 306.366 1.417 20 5 DDBDRO Cc1ccc(C[NH+]2CCC(C(=O)NCCO)CC2)cc1[N+](=O)[O-] ZINC000768317351 701168557 /nfs/dbraw/zinc/16/85/57/701168557.db2.gz KKOSHEUAKCNDDU-UHFFFAOYSA-N 1 0 321.377 1.224 20 5 DDBDRO O=[N+]([O-])c1ccc([O-])cc1C[N@@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000769304778 701240185 /nfs/dbraw/zinc/24/01/85/701240185.db2.gz FJQHKLCQISVZRD-LLVKDONJSA-N 1 0 308.334 1.885 20 5 DDBDRO COC(=O)CC(C)(C)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000839523065 701723440 /nfs/dbraw/zinc/72/34/40/701723440.db2.gz BBUGUVUJJNHWJF-UHFFFAOYSA-N 1 0 323.349 1.855 20 5 DDBDRO Cc1nnc([C@H]2CC[N@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)[nH]1 ZINC000839660904 701770754 /nfs/dbraw/zinc/77/07/54/701770754.db2.gz ZLENMCAUWWDJEH-JSGCOSHPSA-N 1 0 317.349 1.544 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000868088451 701934218 /nfs/dbraw/zinc/93/42/18/701934218.db2.gz AXDNCFXKSBGNCE-YPMHNXCESA-N 1 0 320.349 1.962 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]3CCCNC3)CC2)cc1 ZINC000841041627 702319994 /nfs/dbraw/zinc/31/99/94/702319994.db2.gz BRYSXVCUNJOPQD-AWEZNQCLSA-N 1 0 304.394 1.905 20 5 DDBDRO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@@H](CO)[C@H]1CO ZINC000879361315 706660965 /nfs/dbraw/zinc/66/09/65/706660965.db2.gz CLDOSCIURGSEBE-GXTWGEPZSA-N 1 0 310.350 1.039 20 5 DDBDRO COCC[NH2+]CCNC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000841232121 702397223 /nfs/dbraw/zinc/39/72/23/702397223.db2.gz AUKIGXJPJRXQNA-UHFFFAOYSA-N 1 0 316.745 1.606 20 5 DDBDRO CN(CC[NH3+])C(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000841277025 702410185 /nfs/dbraw/zinc/41/01/85/702410185.db2.gz XQCRLRBYFYEEOM-UHFFFAOYSA-N 1 0 322.365 1.248 20 5 DDBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N[C@H]1CCC[NH2+]C1 ZINC000841857387 702590243 /nfs/dbraw/zinc/59/02/43/702590243.db2.gz XLLGCHCEABQOAL-JTQLQIEISA-N 1 0 312.757 1.799 20 5 DDBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@]1(C)CCC(=O)N1 ZINC000866370273 706683333 /nfs/dbraw/zinc/68/33/33/706683333.db2.gz UKLAFXHASBFIMR-MEBBXXQBSA-N 1 0 309.341 1.923 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCCC[NH+](C)C)cc1F ZINC000866380088 706685758 /nfs/dbraw/zinc/68/57/58/706685758.db2.gz RWZRNCDDZDAAHM-UHFFFAOYSA-N 1 0 319.358 1.272 20 5 DDBDRO C[C@@H]1CN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC[NH2+]1 ZINC000842473618 702725086 /nfs/dbraw/zinc/72/50/86/702725086.db2.gz PMDGGOXNLMOCGB-SNVBAGLBSA-N 1 0 310.329 1.356 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(Cc2noc(C[C@H]3CCC[NH2+]3)n2)c1 ZINC000843222867 702845386 /nfs/dbraw/zinc/84/53/86/702845386.db2.gz LRNRMEFALUQKJE-LLVKDONJSA-N 1 0 318.333 1.872 20 5 DDBDRO C[C@H](Cc1nc(-c2c([N+](=O)[O-])ncn2C)no1)[C@@H]1CCC[NH2+]C1 ZINC000843223603 702845571 /nfs/dbraw/zinc/84/55/71/702845571.db2.gz SHHRJXPNGRLIQS-NXEZZACHSA-N 1 0 320.353 1.557 20 5 DDBDRO C[C@H]1[NH2+]CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@@H]1C ZINC000843377814 702870074 /nfs/dbraw/zinc/87/00/74/702870074.db2.gz UWAFOWYBDBCPIJ-GHMZBOCLSA-N 1 0 324.356 1.745 20 5 DDBDRO O=C(CO[C@@H]1CCC[NH2+]C1)NCCc1ccc([N+](=O)[O-])cc1 ZINC000843396906 702873721 /nfs/dbraw/zinc/87/37/21/702873721.db2.gz BYCKXPWCFKBWJF-CQSZACIVSA-N 1 0 307.350 1.022 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H]2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000843467896 702887824 /nfs/dbraw/zinc/88/78/24/702887824.db2.gz KXPMGZLOMFXUEG-LLVKDONJSA-N 1 0 322.321 1.683 20 5 DDBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@](C)(O)C[NH+](C)C ZINC000843837489 702931866 /nfs/dbraw/zinc/93/18/66/702931866.db2.gz OYPYWNVYEXGUFM-AWEZNQCLSA-N 1 0 313.329 1.085 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CCC(C3(O)CC3)CC2)c1 ZINC000844363062 703019810 /nfs/dbraw/zinc/01/98/10/703019810.db2.gz NFGAHKSZAMESFD-OAHLLOKOSA-N 1 0 306.362 1.865 20 5 DDBDRO CN(CC[NH+]1CCCCC1)C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000846612256 703303481 /nfs/dbraw/zinc/30/34/81/703303481.db2.gz MHUORHOCXDYAHU-UHFFFAOYSA-N 1 0 306.366 1.735 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CC[C@H]([NH3+])C[C@@H]2C)cc1[N+](=O)[O-] ZINC000846744189 703326288 /nfs/dbraw/zinc/32/62/88/703326288.db2.gz XVQOIARMYQWUBB-KWQFWETISA-N 1 0 322.321 1.763 20 5 DDBDRO COc1ccc(C[NH2+]C[C@H]2CN(C3CC3)C(=O)O2)cc1[N+](=O)[O-] ZINC000848578258 703564737 /nfs/dbraw/zinc/56/47/37/703564737.db2.gz PNSOGOQJVZEDJF-LBPRGKRZSA-N 1 0 321.333 1.676 20 5 DDBDRO COC(=O)COc1ccc(C[NH2+][C@@H]2C=CCC2)cc1[N+](=O)[O-] ZINC000850359155 703726968 /nfs/dbraw/zinc/72/69/68/703726968.db2.gz YFRVKYGNVNQRNG-GFCCVEGCSA-N 1 0 306.318 1.955 20 5 DDBDRO O=C1OCCN1[C@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000852432694 704045442 /nfs/dbraw/zinc/04/54/42/704045442.db2.gz NXNFLGZXRVLXBC-LBPRGKRZSA-N 1 0 321.333 1.500 20 5 DDBDRO CC(C)N1C[C@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000818996654 704047473 /nfs/dbraw/zinc/04/74/73/704047473.db2.gz VAOOKCPVDMJBRM-TZMCWYRMSA-N 1 0 307.350 1.227 20 5 DDBDRO CC[C@H](C[NH+](C)C)OC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000870554624 704075237 /nfs/dbraw/zinc/07/52/37/704075237.db2.gz KKIZDHDIMFMKHT-SNVBAGLBSA-N 1 0 324.333 1.863 20 5 DDBDRO COc1ccncc1C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819328232 704108286 /nfs/dbraw/zinc/10/82/86/704108286.db2.gz DDXMBYSFUHZAGK-CQSZACIVSA-N 1 0 303.318 1.822 20 5 DDBDRO [NH3+]C[C@H]1OCC[C@@H]1C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000852854056 704148869 /nfs/dbraw/zinc/14/88/69/704148869.db2.gz XXMCOQBOQVVIPU-CMPLNLGQSA-N 1 0 313.741 1.228 20 5 DDBDRO Cc1cc(S(=O)(=O)N[C@]2(C)CC[NH2+]C2)cc([N+](=O)[O-])c1F ZINC000853082303 704192961 /nfs/dbraw/zinc/19/29/61/704192961.db2.gz GOHVATWKJYSXJA-GFCCVEGCSA-N 1 0 317.342 1.073 20 5 DDBDRO O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCOC2(C[NH2+]C2)C1 ZINC000853245606 704223936 /nfs/dbraw/zinc/22/39/36/704223936.db2.gz MTXBNRXQJLZLEL-UHFFFAOYSA-N 1 0 311.725 1.063 20 5 DDBDRO O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)c1 ZINC000866825331 706815819 /nfs/dbraw/zinc/81/58/19/706815819.db2.gz PTUFHRYCHGHTKF-OLZOCXBDSA-N 1 0 311.363 1.110 20 5 DDBDRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1ccc(N)c([N+](=O)[O-])c1)C2 ZINC000854736991 704446201 /nfs/dbraw/zinc/44/62/01/704446201.db2.gz LYOMOEWBTJYUQY-MRXNPFEDSA-N 1 0 318.377 1.735 20 5 DDBDRO CN(CC1C[NH+](C)C1)C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000855640405 704494401 /nfs/dbraw/zinc/49/44/01/704494401.db2.gz WRAKBAPOUGWDDK-UHFFFAOYSA-N 1 0 311.313 1.133 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1-c1noc(CC[C@H]2CCC[NH2+]C2)n1 ZINC000857252194 704570429 /nfs/dbraw/zinc/57/04/29/704570429.db2.gz CDQCXOLIYUIAFG-SECBINFHSA-N 1 0 306.326 1.311 20 5 DDBDRO O=C(N[C@H]1CCC[NH2+]C1)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857762972 704621692 /nfs/dbraw/zinc/62/16/92/704621692.db2.gz KBHVLSPUSUTFER-VIFPVBQESA-N 1 0 315.276 1.435 20 5 DDBDRO O=[N+]([O-])c1ccc(N[C@H]2CCN(c3cc[nH+]c(CO)c3)C2)nc1 ZINC000858455219 704713415 /nfs/dbraw/zinc/71/34/15/704713415.db2.gz KUBBVJSAEYPDMP-NSHDSACASA-N 1 0 315.333 1.568 20 5 DDBDRO CC1(C)C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@@H]2COC[C@@H]21 ZINC000832774716 706981269 /nfs/dbraw/zinc/98/12/69/706981269.db2.gz AFIBRHMTFNNLPY-ZNMIVQPWSA-N 1 0 306.362 1.985 20 5 DDBDRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)COc1ccccc1[N+](=O)[O-] ZINC000874851037 705204061 /nfs/dbraw/zinc/20/40/61/705204061.db2.gz ZCGGRJPAIMYLEC-STQMWFEESA-N 1 0 319.361 1.669 20 5 DDBDRO Nc1ccc(NC(=O)NCCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000824008059 705353562 /nfs/dbraw/zinc/35/35/62/705353562.db2.gz CTBHEGYTQDAJSC-UHFFFAOYSA-N 1 0 307.354 1.784 20 5 DDBDRO O=C(c1cc(F)ccc1[N+](=O)[O-])N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000861708573 705545648 /nfs/dbraw/zinc/54/56/48/705545648.db2.gz AZGKGERYDGYHCS-RYUDHWBXSA-N 1 0 323.324 1.015 20 5 DDBDRO Cc1cc(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)c(N)c([N+](=O)[O-])c1 ZINC000825207176 705625179 /nfs/dbraw/zinc/62/51/79/705625179.db2.gz FVIZNHUKTPNZMZ-VIFPVBQESA-N 1 0 320.271 1.495 20 5 DDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000825207809 705625201 /nfs/dbraw/zinc/62/52/01/705625201.db2.gz NSZZDPLHVGYJKS-SECBINFHSA-N 1 0 306.244 1.187 20 5 DDBDRO C[NH+](C)[C@@H](CNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000825364002 705655514 /nfs/dbraw/zinc/65/55/14/705655514.db2.gz LQOAIOUASJMVEX-UONOGXRCSA-N 1 0 307.350 1.085 20 5 DDBDRO CC(C)[C@H](C[NH+](C)C)NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825891916 705742651 /nfs/dbraw/zinc/74/26/51/705742651.db2.gz XKAFJGXRSNXFSW-UONOGXRCSA-N 1 0 309.366 1.331 20 5 DDBDRO CC[NH+](CC)[C@H]1CCN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000826643328 705832759 /nfs/dbraw/zinc/83/27/59/705832759.db2.gz MIJIYVUCQQIIHB-GJZGRUSLSA-N 1 0 321.377 1.571 20 5 DDBDRO COC(=O)[C@@H]1OCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000826962421 705901011 /nfs/dbraw/zinc/90/10/11/705901011.db2.gz GONLOHJQQRVVIO-CMPLNLGQSA-N 1 0 314.725 1.668 20 5 DDBDRO C[C@@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)[C@H](C)N1CCOCC1 ZINC000877025447 705963376 /nfs/dbraw/zinc/96/33/76/705963376.db2.gz KWLMATZWQIWLMB-KBHBFKLGSA-N 1 0 323.397 1.194 20 5 DDBDRO C[NH2+]CCOCCN(C)C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000877027670 705964560 /nfs/dbraw/zinc/96/45/60/705964560.db2.gz QXEPEPIILJFWOQ-UHFFFAOYSA-N 1 0 315.757 1.556 20 5 DDBDRO C[NH2+]CCOCCN(C)C(=O)c1c(C)ccc([N+](=O)[O-])c1C ZINC000877030091 705965500 /nfs/dbraw/zinc/96/55/00/705965500.db2.gz XNZRMQIJIKSJDR-UHFFFAOYSA-N 1 0 309.366 1.520 20 5 DDBDRO C[N@@H+]1CC[C@H]2CN(C(=O)c3cccc([N+](=O)[O-])c3N)CC[C@H]21 ZINC000827313251 705973031 /nfs/dbraw/zinc/97/30/31/705973031.db2.gz YVPSQBRDAZHKJP-CMPLNLGQSA-N 1 0 304.350 1.343 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)c1 ZINC000827330865 705977539 /nfs/dbraw/zinc/97/75/39/705977539.db2.gz SKINIXDAJLKNPX-BXUZGUMPSA-N 1 0 319.361 1.770 20 5 DDBDRO COc1cccc(C(=O)N2C3CCC2(C[NH3+])CC3)c1[N+](=O)[O-] ZINC000877187804 706011174 /nfs/dbraw/zinc/01/11/74/706011174.db2.gz HWMJZEPZSPDXAR-UHFFFAOYSA-N 1 0 305.334 1.699 20 5 DDBDRO O=C(COc1cccc([N+](=O)[O-])c1)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877284642 706048640 /nfs/dbraw/zinc/04/86/40/706048640.db2.gz OFGSNOCNCGUATB-ZIAGYGMSSA-N 1 0 305.334 1.327 20 5 DDBDRO Cn1c(C(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000877370579 706083578 /nfs/dbraw/zinc/08/35/78/706083578.db2.gz WNJKMZMQEQLDIR-HTQZYQBOSA-N 1 0 320.271 1.143 20 5 DDBDRO COC(=O)[C@@H]1C[C@H](O)C[N@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000877608179 706158069 /nfs/dbraw/zinc/15/80/69/706158069.db2.gz ODRSQNPIKDUHAW-OLZOCXBDSA-N 1 0 322.361 1.567 20 5 DDBDRO CONC(=O)C1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000877786692 706212094 /nfs/dbraw/zinc/21/20/94/706212094.db2.gz UGVRJPVDKIOHHY-GQCTYLIASA-N 1 0 319.361 1.998 20 5 DDBDRO CC(C)(Cn1cc(C[C@H]([NH3+])Cc2ccccc2)nn1)[N+](=O)[O-] ZINC000864642809 706223081 /nfs/dbraw/zinc/22/30/81/706223081.db2.gz WJIJRULOILWZLR-CYBMUJFWSA-N 1 0 303.366 1.446 20 5 DDBDRO C[NH+](C)C[C@H]1CCCN1C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000865126277 706357962 /nfs/dbraw/zinc/35/79/62/706357962.db2.gz SFJNTNLXRADGJW-GFCCVEGCSA-N 1 0 309.341 1.829 20 5 DDBDRO C[C@@H](C[NH+](C)C)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000879983937 706843445 /nfs/dbraw/zinc/84/34/45/706843445.db2.gz UKWQQMXDYSSBHZ-JTQLQIEISA-N 1 0 323.349 1.436 20 5 DDBDRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000880137801 706887771 /nfs/dbraw/zinc/88/77/71/706887771.db2.gz KVMDWBWLQJUECK-XHSDSOJGSA-N 1 0 305.378 1.797 20 5 DDBDRO C[C@@H]([NH3+])[C@H]1CN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CCO1 ZINC000834317680 707029531 /nfs/dbraw/zinc/02/95/31/707029531.db2.gz ZFVKGSFMLUXUNP-PRHODGIISA-N 1 0 313.741 1.436 20 5 DDBDRO C[C@H]([NH3+])[C@H]1CN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CCO1 ZINC000834317681 707029536 /nfs/dbraw/zinc/02/95/36/707029536.db2.gz ZFVKGSFMLUXUNP-QPUJVOFHSA-N 1 0 313.741 1.436 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H]2[C@H]3C[C@H]4CO[C@H]2[C@H]4C3)cc1 ZINC000872221762 707335887 /nfs/dbraw/zinc/33/58/87/707335887.db2.gz JOVBPUDUIHUXTE-RMFDTVQDSA-N 1 0 304.346 1.641 20 5 DDBDRO Cc1ccc(C[NH2+]C[C@@H](O)COC2CCOCC2)cc1[N+](=O)[O-] ZINC000872231972 707340302 /nfs/dbraw/zinc/34/03/02/707340302.db2.gz VTSKCNSLQZCRQL-CQSZACIVSA-N 1 0 324.377 1.549 20 5 DDBDRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2c1nc2ccccn2c1[N+](=O)[O-] ZINC000872781392 707597459 /nfs/dbraw/zinc/59/74/59/707597459.db2.gz SNOOOTIVEXZASB-NWDGAFQWSA-N 1 0 301.350 1.915 20 5 DDBDRO O=[N+]([O-])c1cccc(-c2ncn(C[N@@H+]3C[C@@H]4COC[C@@H]4C3)n2)c1 ZINC000872784935 707600181 /nfs/dbraw/zinc/60/01/81/707600181.db2.gz IFWFBJHZGLRACD-BETUJISGSA-N 1 0 315.333 1.389 20 5 DDBDRO C[NH+]1CCC2(CC1)CN(c1ccnc(F)c1[N+](=O)[O-])CCO2 ZINC000882518428 707677795 /nfs/dbraw/zinc/67/77/95/707677795.db2.gz ROTZJCJZXHUHEG-UHFFFAOYSA-N 1 0 310.329 1.430 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCS(=O)(=O)N(C)C ZINC000873126961 707742362 /nfs/dbraw/zinc/74/23/62/707742362.db2.gz FQTZHLAESWNBNV-UHFFFAOYSA-N 1 0 315.395 1.193 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H]1CCc2c(nnn2C)C1 ZINC000873134001 707743798 /nfs/dbraw/zinc/74/37/98/707743798.db2.gz WEIBUQVTUHPUHJ-LBPRGKRZSA-N 1 0 315.377 1.987 20 5 DDBDRO Cc1nn(C)c(N2CCC[C@H]([NH2+]C3CCOCC3)C2)c1[N+](=O)[O-] ZINC000882725141 707762301 /nfs/dbraw/zinc/76/23/01/707762301.db2.gz LCGBJCKVCCUGHL-ZDUSSCGKSA-N 1 0 323.397 1.374 20 5 DDBDRO CC[N@@H+]1CC[C@@H]1CNc1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000882958643 707871908 /nfs/dbraw/zinc/87/19/08/707871908.db2.gz GSTDBKOBVRMNFN-SSDOTTSWSA-N 1 0 307.276 1.853 20 5 DDBDRO C[C@H]1CN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCCO3)CC[NH2+]1 ZINC000884030930 708109702 /nfs/dbraw/zinc/10/97/02/708109702.db2.gz AXADUNOVXKPBGP-JTQLQIEISA-N 1 0 321.333 1.190 20 5 DDBDRO C[N@@H+]1C[C@@H]2CN(c3nc4ccccn4c3[N+](=O)[O-])C[C@]2(C)C1 ZINC000896915514 708181497 /nfs/dbraw/zinc/18/14/97/708181497.db2.gz YXPJRWIENVUYHH-ABAIWWIYSA-N 1 0 301.350 1.630 20 5 DDBDRO O=[N+]([O-])c1cccc(F)c1N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000897222716 708260419 /nfs/dbraw/zinc/26/04/19/708260419.db2.gz XANUFHXQVMLLHZ-OLZOCXBDSA-N 1 0 309.341 1.769 20 5 DDBDRO C[N@H+](CCO)CCNc1ccc([N+](=O)[O-])cc1Br ZINC000884824037 708387594 /nfs/dbraw/zinc/38/75/94/708387594.db2.gz ONQSXCRRNDEVSB-UHFFFAOYSA-N 1 0 318.171 1.693 20 5 DDBDRO CCOC(=O)c1cc(C(=O)OCCC[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000912591659 713041132 /nfs/dbraw/zinc/04/11/32/713041132.db2.gz GCIRAYZAXFWVDC-UHFFFAOYSA-N 1 0 324.333 1.880 20 5 DDBDRO O=C([C@H]1CCC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1)N1CCCC1 ZINC000886006209 708680375 /nfs/dbraw/zinc/68/03/75/708680375.db2.gz OPRCKTIAHXVMCG-AWEZNQCLSA-N 1 0 318.377 1.824 20 5 DDBDRO CCNC(=O)C[C@@H]1CCCC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886193737 708712556 /nfs/dbraw/zinc/71/25/56/708712556.db2.gz BEAYUAXAQMBYDC-ZDUSSCGKSA-N 1 0 306.366 1.871 20 5 DDBDRO CC[N@@H+]1CC[C@H]2OCCN(Cc3cccnc3[N+](=O)[O-])[C@H]2C1 ZINC000886218089 708717310 /nfs/dbraw/zinc/71/73/10/708717310.db2.gz NLPLQUYCZQQLDN-UONOGXRCSA-N 1 0 306.366 1.285 20 5 DDBDRO O=[N+]([O-])c1ncccc1C[NH2+][C@@H](C1CC1)[C@]1(CO)CCCO1 ZINC000886220488 708717794 /nfs/dbraw/zinc/71/77/94/708717794.db2.gz IYLRSIPCUXLGHA-DZGCQCFKSA-N 1 0 307.350 1.400 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N(C)CC[N@H+](C)CCO ZINC000912612771 713050927 /nfs/dbraw/zinc/05/09/27/713050927.db2.gz QTZJTPJABAFVFX-UHFFFAOYSA-N 1 0 309.366 1.208 20 5 DDBDRO O=[N+]([O-])c1ncccc1CN1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000886285640 708735726 /nfs/dbraw/zinc/73/57/26/708735726.db2.gz OQXSUKGFQBRCLE-AWEZNQCLSA-N 1 0 306.366 1.021 20 5 DDBDRO CCN(CCOc1ccc(OC)cc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000886852341 708864425 /nfs/dbraw/zinc/86/44/25/708864425.db2.gz GZWJIRCDKJUAGV-GFCCVEGCSA-N 1 0 309.366 1.666 20 5 DDBDRO CCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC000886893259 708885962 /nfs/dbraw/zinc/88/59/62/708885962.db2.gz MORNQIVDNGQHHK-SECBINFHSA-N 1 0 319.408 1.337 20 5 DDBDRO C[NH+]1CCC2(CCN2C(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000889222844 709463907 /nfs/dbraw/zinc/46/39/07/709463907.db2.gz CEPSYUWMHVAMFY-UHFFFAOYSA-N 1 0 304.350 1.487 20 5 DDBDRO CC(C)[NH+](Cc1cn(CCn2cc([N+](=O)[O-])cn2)nn1)C(C)C ZINC000900550920 709647640 /nfs/dbraw/zinc/64/76/40/709647640.db2.gz WFZIDWZHRQFRTM-UHFFFAOYSA-N 1 0 321.385 1.702 20 5 DDBDRO Cc1nn(C)c(C(=O)NCC[N@@H+]2CCC(C)(C)C2)c1[N+](=O)[O-] ZINC000890078521 709738208 /nfs/dbraw/zinc/73/82/08/709738208.db2.gz FYQRNQDSEQRBPR-UHFFFAOYSA-N 1 0 309.370 1.098 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)OCC[C@@H]1CCCC[N@H+]1C ZINC000910203564 709812865 /nfs/dbraw/zinc/81/28/65/709812865.db2.gz BGHHVUMTZIVGOT-LBPRGKRZSA-N 1 0 310.354 1.517 20 5 DDBDRO CC[N@@H+]1CCCN(C(=O)COc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000910296270 709873777 /nfs/dbraw/zinc/87/37/77/709873777.db2.gz UIZVOGHYMIOHEM-ZDUSSCGKSA-N 1 0 321.377 1.916 20 5 DDBDRO C[C@@]1(NC(=O)Cc2cccc([N+](=O)[O-])c2)C[NH+]2CCC1CC2 ZINC000892781787 710497643 /nfs/dbraw/zinc/49/76/43/710497643.db2.gz QMHKCBRXWVZPRU-MRXNPFEDSA-N 1 0 303.362 1.738 20 5 DDBDRO COc1cc([N+](=O)[O-])cnc1NC[C@]1([NH+](C)C)CCSC1 ZINC000892797558 710501603 /nfs/dbraw/zinc/50/16/03/710501603.db2.gz UITKZDKXMDRWST-CYBMUJFWSA-N 1 0 312.395 1.848 20 5 DDBDRO Cn1ccnc1[C@@H](NCC1([NH3+])CC1)c1cccc([N+](=O)[O-])c1 ZINC000902407625 710744444 /nfs/dbraw/zinc/74/44/44/710744444.db2.gz SGSQQMHPRLISOU-ZDUSSCGKSA-N 1 0 301.350 1.499 20 5 DDBDRO COc1c(O)ccc(CNCC2([NH+](C)C)CCC2)c1[N+](=O)[O-] ZINC000893884186 710874013 /nfs/dbraw/zinc/87/40/13/710874013.db2.gz CDGZFSDMGGMGLH-UHFFFAOYSA-N 1 0 309.366 1.883 20 5 DDBDRO COC(=O)[C@@H]1[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1(F)F ZINC000894385507 711098110 /nfs/dbraw/zinc/09/81/10/711098110.db2.gz ODQZAIHONXKVEE-MNOVXSKESA-N 1 0 300.261 1.739 20 5 DDBDRO C[NH+]1C[C@]2(C)CN(c3ccc([N+](=O)[O-])c(C(N)=O)c3)C[C@@]2(C)C1 ZINC000894800340 711275721 /nfs/dbraw/zinc/27/57/21/711275721.db2.gz CSBKZJGDPCOQEP-HZPDHXFCSA-N 1 0 318.377 1.472 20 5 DDBDRO COC(=O)/C=C/c1ccc(NC[C@@H]2CC[N@@H+]2C)c([N+](=O)[O-])c1 ZINC000895777739 711604190 /nfs/dbraw/zinc/60/41/90/711604190.db2.gz WVGVSDPGOHAWBY-FUEXJSSKSA-N 1 0 305.334 1.897 20 5 DDBDRO CCO[C@@H](CNc1ncnc2cccc([N+](=O)[O-])c21)C[NH+](C)C ZINC000896116846 711678388 /nfs/dbraw/zinc/67/83/88/711678388.db2.gz SUEIUZCSHZPOBY-NSHDSACASA-N 1 0 319.365 1.917 20 5 DDBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000896519869 711737263 /nfs/dbraw/zinc/73/72/63/711737263.db2.gz YPRMXKXJGZEQAI-CYBMUJFWSA-N 1 0 306.366 1.963 20 5 DDBDRO CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](C[NH2+]CC[N+](=O)[O-])C1 ZINC000905489762 712052780 /nfs/dbraw/zinc/05/27/80/712052780.db2.gz DPTYLIOXOMICLT-JTQLQIEISA-N 1 0 323.340 1.745 20 5 DDBDRO C[C@H]1[C@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CCN1C ZINC000905541099 712071488 /nfs/dbraw/zinc/07/14/88/712071488.db2.gz BITNKPXWGXHKHJ-NWDGAFQWSA-N 1 0 306.366 1.606 20 5 DDBDRO CC[C@H](CN1CCOCC1)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000905552042 712075352 /nfs/dbraw/zinc/07/53/52/712075352.db2.gz LRTBGRZIFSEMIN-ZBFHGGJFSA-N 1 0 323.393 1.329 20 5 DDBDRO C[C@@H]1[C@@H](NC(=O)NCCNc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000913933880 713321904 /nfs/dbraw/zinc/32/19/04/713321904.db2.gz USZZDXSDUPAFSR-NEPJUHHUSA-N 1 0 321.381 1.399 20 5 DDBDRO O=C(N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)C12CC[NH+](CC1)C2 ZINC000907653785 712609334 /nfs/dbraw/zinc/60/93/34/712609334.db2.gz OUQIIXQMGJJDRB-UHFFFAOYSA-N 1 0 317.345 1.280 20 5 DDBDRO C[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC12CCCCC2 ZINC000908571233 712809840 /nfs/dbraw/zinc/80/98/40/712809840.db2.gz SYPBPAHGVRENOV-UHFFFAOYSA-N 1 0 307.354 1.408 20 5 DDBDRO Cc1cc(S(=O)(=O)NC2CC([NH+](C)C)C2)c([N+](=O)[O-])s1 ZINC000916906976 713473363 /nfs/dbraw/zinc/47/33/63/713473363.db2.gz LMSZGPDDAKIKLY-UHFFFAOYSA-N 1 0 319.408 1.336 20 5 DDBDRO C[C@@H](CN1C(=O)N[C@@H](C[NH+](C)C)C1=O)c1ccccc1[N+](=O)[O-] ZINC000928999993 713522816 /nfs/dbraw/zinc/52/28/16/713522816.db2.gz AFGVDBPSUDNFHG-JQWIXIFHSA-N 1 0 320.349 1.180 20 5 DDBDRO C[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC000929435161 713609492 /nfs/dbraw/zinc/60/94/92/713609492.db2.gz BHWPERJRJJPBON-LSDHHAIUSA-N 1 0 303.362 1.909 20 5 DDBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000931045655 713990121 /nfs/dbraw/zinc/99/01/21/713990121.db2.gz YEHBZKPAERPNBC-RDBSUJKOSA-N 1 0 323.393 1.359 20 5 DDBDRO O=[N+]([O-])c1ccccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000922851381 714166422 /nfs/dbraw/zinc/16/64/22/714166422.db2.gz ACLKZHZCIXJWTJ-YHWZYXNKSA-N 1 0 310.375 1.793 20 5 DDBDRO COc1ccc(C[NH2+][C@@H]2CCc3nnn(C)c3C2)cc1[N+](=O)[O-] ZINC000922996182 714207997 /nfs/dbraw/zinc/20/79/97/714207997.db2.gz SVXDWUXSSHZFDI-LLVKDONJSA-N 1 0 317.349 1.379 20 5 DDBDRO C[C@@H]([NH2+]CC(=O)NC[C@@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000932184138 714281254 /nfs/dbraw/zinc/28/12/54/714281254.db2.gz ZNVFEPIDEWGOAV-RISCZKNCSA-N 1 0 307.350 1.541 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000923269980 714291692 /nfs/dbraw/zinc/29/16/92/714291692.db2.gz ZRGHPXFMLZUMKE-VHSXEESVSA-N 1 0 322.340 1.625 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000923293662 714300306 /nfs/dbraw/zinc/30/03/06/714300306.db2.gz VWFOJERLVHRTFU-VNHYZAJKSA-N 1 0 321.377 1.161 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)CN(C2CC2)[C@@H]2CC[NH2+]C2)c1 ZINC000923330207 714316982 /nfs/dbraw/zinc/31/69/82/714316982.db2.gz ZSULGVGORVRFMF-CABCVRRESA-N 1 0 321.377 1.161 20 5 DDBDRO C[C@@H]1[NH2+]CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000923345912 714322131 /nfs/dbraw/zinc/32/21/31/714322131.db2.gz OXICMBNBQWDMNJ-SGMGOOAPSA-N 1 0 309.366 1.017 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H]([NH2+]CCO)C1 ZINC000923402865 714343699 /nfs/dbraw/zinc/34/36/99/714343699.db2.gz NXMUVFRWWSUUSE-CYBMUJFWSA-N 1 0 309.366 1.150 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC[C@H]3[NH2+]CC[C@H]32)c1 ZINC000923416839 714349293 /nfs/dbraw/zinc/34/92/93/714349293.db2.gz QOEWCOZVBBIBIG-FVQBIDKESA-N 1 0 321.377 1.161 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CCOC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC000923889613 714485045 /nfs/dbraw/zinc/48/50/45/714485045.db2.gz AKGGMBOXANOCDW-GFCCVEGCSA-N 1 0 310.354 1.516 20 5 DDBDRO C[N@@H+](Cc1cccc(=O)[nH]1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000933399078 714581958 /nfs/dbraw/zinc/58/19/58/714581958.db2.gz PMQMRNRXQQLHCO-AWEZNQCLSA-N 1 0 303.318 1.861 20 5 DDBDRO COc1ccc(C[NH2+][C@@H](C)C[C@@H]2CCC(=O)N2)cc1[N+](=O)[O-] ZINC000924842633 714677066 /nfs/dbraw/zinc/67/70/66/714677066.db2.gz SPEAWGQXVYVROR-JQWIXIFHSA-N 1 0 307.350 1.750 20 5 DDBDRO O=[N+]([O-])c1ccc(OCCN[C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)cc1 ZINC000925598202 714896330 /nfs/dbraw/zinc/89/63/30/714896330.db2.gz QQFBYGDXQUAOIU-GRIRQICOSA-N 1 0 303.362 1.560 20 5 DDBDRO O=[N+]([O-])c1cc(Br)ccc1CN[C@H]1CC[NH2+]C1 ZINC000925762134 714929837 /nfs/dbraw/zinc/92/98/37/714929837.db2.gz HRLZTTUCBMGAMN-JTQLQIEISA-N 1 0 300.156 1.809 20 5 DDBDRO C[NH+](C)C[C@](C)(O)CNC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000935052681 714964520 /nfs/dbraw/zinc/96/45/20/714964520.db2.gz ODNHCXGRKJLULM-IJEWVQPXSA-N 1 0 321.377 1.127 20 5 DDBDRO C[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[C@@H]3c3cccc([N+](=O)[O-])c3)C[C@H]2C1 ZINC000935693902 715118427 /nfs/dbraw/zinc/11/84/27/715118427.db2.gz DRRDRDRBMWDWKK-CLWVCHIJSA-N 1 0 315.373 1.718 20 5 DDBDRO [NH3+][C@@]12C[C@@H]1CN(C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1)C2 ZINC001164419026 718886763 /nfs/dbraw/zinc/88/67/63/718886763.db2.gz PHOCKOSYFDHVAI-LHLIQPBNSA-N 1 0 304.684 1.726 20 5 DDBDRO COc1nc(C)c([N+](=O)[O-])c(N2CC[NH+](CC(C)C)CC2)n1 ZINC001164655021 719333534 /nfs/dbraw/zinc/33/35/34/719333534.db2.gz YWQROFHCNOGHRV-UHFFFAOYSA-N 1 0 309.370 1.480 20 5 DDBDRO Cn1c(C[N+](=O)[O-])nnc1N1CCC(C)([NH+]2CCCCC2)CC1 ZINC001121391987 782489286 /nfs/dbraw/zinc/48/92/86/782489286.db2.gz NRUPFODMZDMVIJ-UHFFFAOYSA-N 1 0 322.413 1.437 20 5 DDBDRO CC[N@@H+]1CC[C@H](N(C)c2nnc([C@@H](C)[N+](=O)[O-])n2C)[C@H](C)C1 ZINC001121389461 782487551 /nfs/dbraw/zinc/48/75/51/782487551.db2.gz SBVMYGZGDPWITD-UTUOFQBUSA-N 1 0 310.402 1.319 20 5 DDBDRO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@H]21)C(F)F ZINC001025643197 736807010 /nfs/dbraw/zinc/80/70/10/736807010.db2.gz GSTWLQLQNDQJJZ-GDNZZTSVSA-N 1 0 311.288 1.406 20 5 DDBDRO O=C(CC1(O)CCC1)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001126848120 742372092 /nfs/dbraw/zinc/37/20/92/742372092.db2.gz MXKYTVQNTUUOEY-UHFFFAOYSA-N 1 0 307.350 1.106 20 5 DDBDRO O=C(NCC[NH2+]Cc1ccc(F)cc1Cl)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126932390 742777034 /nfs/dbraw/zinc/77/70/34/742777034.db2.gz VNUROQTXRKHPND-ZYHUDNBSSA-N 1 0 315.732 1.350 20 5 DDBDRO O=C(NCC[NH2+]Cc1cc(F)ccc1Cl)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126932487 742782748 /nfs/dbraw/zinc/78/27/48/742782748.db2.gz ZIYHOKUSDOJYTF-ZYHUDNBSSA-N 1 0 315.732 1.350 20 5 DDBDRO COc1c(O)ccc(C[NH2+][C@H]2CCC[C@@H]2CCO)c1[N+](=O)[O-] ZINC001181125091 743074255 /nfs/dbraw/zinc/07/42/55/743074255.db2.gz JAZZXTCUXGXRRQ-PWSUYJOCSA-N 1 0 310.350 1.950 20 5 DDBDRO O=C(Cc1ccon1)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001125103762 748862184 /nfs/dbraw/zinc/86/21/84/748862184.db2.gz NMKPQNJSOHVMJG-UHFFFAOYSA-N 1 0 304.306 1.031 20 5 DDBDRO CC(=O)NCC[NH+]1CCC(Nc2cc(C)c([N+](=O)[O-])cn2)CC1 ZINC001111309450 750443477 /nfs/dbraw/zinc/44/34/77/750443477.db2.gz OBBKIEZFYFEREZ-UHFFFAOYSA-N 1 0 321.381 1.311 20 5 DDBDRO CN(c1ccc2ccc3cccnc3c2n1)S(=O)(=O)CC[NH3+] ZINC001156232315 762087249 /nfs/dbraw/zinc/08/72/49/762087249.db2.gz VWZMWGYQXWQORP-UHFFFAOYSA-N 1 0 316.386 1.508 20 5 DDBDRO CN1C(=O)COc2ccc(C[NH2+][C@@H]3CC[C@@H](C[N+](=O)[O-])C3)cc21 ZINC001169002244 762172961 /nfs/dbraw/zinc/17/29/61/762172961.db2.gz JRISJXWIOZIGRJ-CHWSQXEVSA-N 1 0 319.361 1.577 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H](CO)Cc2ccc(F)cc2F)C1 ZINC001169007400 762175922 /nfs/dbraw/zinc/17/59/22/762175922.db2.gz NEIRKAHLKYHESS-SWHYSGLUSA-N 1 0 314.332 1.903 20 5 DDBDRO COc1cccc(N2CC[NH+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)n1 ZINC001169039541 762193685 /nfs/dbraw/zinc/19/36/85/762193685.db2.gz QXUVXHPGIQXBHM-UONOGXRCSA-N 1 0 320.393 1.658 20 5 DDBDRO COc1cccc(N2CC[NH+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)n1 ZINC001169039540 762193656 /nfs/dbraw/zinc/19/36/56/762193656.db2.gz QXUVXHPGIQXBHM-KGLIPLIRSA-N 1 0 320.393 1.658 20 5 DDBDRO O=C(c1ccncc1)N1CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169046961 762204287 /nfs/dbraw/zinc/20/42/87/762204287.db2.gz PKCZCCZQHOGNPX-DZGCQCFKSA-N 1 0 318.377 1.285 20 5 DDBDRO Cc1nccc(N([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C2CC[NH2+]CC2)n1 ZINC001169052500 762208080 /nfs/dbraw/zinc/20/80/80/762208080.db2.gz GHHHNSVYIVOOCI-HIFRSBDPSA-N 1 0 319.409 1.789 20 5 DDBDRO CCC1=NC2(CC[NH+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)C(=O)N1C ZINC001169053544 762208232 /nfs/dbraw/zinc/20/82/32/762208232.db2.gz IKTLOEJHAYPBIU-STQMWFEESA-N 1 0 322.409 1.547 20 5 DDBDRO COc1cccc(O[C@@H]2CC[N@@H+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)C2)n1 ZINC001169053579 762208692 /nfs/dbraw/zinc/20/86/92/762208692.db2.gz IZFUONYPSVFUIN-MELADBBJSA-N 1 0 321.377 1.989 20 5 DDBDRO C[NH+](C)CCC(=O)N[C@H]1C[C@@H](Nc2cccc(F)c2[N+](=O)[O-])C1 ZINC001097251682 757034635 /nfs/dbraw/zinc/03/46/35/757034635.db2.gz HHMCFZSBOUMYCO-PHIMTYICSA-N 1 0 324.356 1.745 20 5 DDBDRO COc1cc([N+](=O)[O-])cnc1-n1cc(CC[NH3+])c2ncccc21 ZINC001169700460 762609340 /nfs/dbraw/zinc/60/93/40/762609340.db2.gz OPHBGDMADZEOSC-UHFFFAOYSA-N 1 0 313.317 1.839 20 5 DDBDRO COc1ccc(C[C@H](C)[NH2+]CCN2CCOCC2)c([N+](=O)[O-])c1 ZINC001170295541 766225275 /nfs/dbraw/zinc/22/52/75/766225275.db2.gz UTFXRCGFINOKMC-ZDUSSCGKSA-N 1 0 323.393 1.456 20 5 DDBDRO COc1ccc(C[C@@H](C)[NH2+][C@H]2[C@H](O)CCC[C@@H]2O)c([N+](=O)[O-])c1 ZINC001170326856 766252677 /nfs/dbraw/zinc/25/26/77/766252677.db2.gz BXTXOHAJOADDBW-XGVBPZLHSA-N 1 0 324.377 1.398 20 5 DDBDRO COc1ccc(C[C@@H](C)[N@@H+]2C[C@@H](OC)[C@@H](OC)C2)c([N+](=O)[O-])c1 ZINC001170328656 766253774 /nfs/dbraw/zinc/25/37/74/766253774.db2.gz LAVBFPYZKLLBAD-LYRGGWFBSA-N 1 0 324.377 1.880 20 5 DDBDRO COc1ccc(C[C@@H](C)[NH2+][C@H](C(N)=O)C(C)C)c([N+](=O)[O-])c1 ZINC001170310425 766259612 /nfs/dbraw/zinc/25/96/12/766259612.db2.gz VSIDSFNVGLBNJO-YGRLFVJLSA-N 1 0 309.366 1.634 20 5 DDBDRO COc1ccc(C[C@@H](C)N2CC[N@@H+]3CC[C@H]3C2)c([N+](=O)[O-])c1 ZINC001170355645 766261936 /nfs/dbraw/zinc/26/19/36/766261936.db2.gz NNVKFSAQQBSHDU-OCCSQVGLSA-N 1 0 305.378 1.924 20 5 DDBDRO CN(CC[NH3+])CCNc1nc(-c2ccccc2)ccc1[N+](=O)[O-] ZINC001170498186 767581364 /nfs/dbraw/zinc/58/13/64/767581364.db2.gz UHFQMBOUDXPIMH-UHFFFAOYSA-N 1 0 315.377 1.959 20 5 DDBDRO CCOC(=O)C1=C(Nc2ccc(OC)c([N+](=O)[O-])n2)CC[NH2+]C1 ZINC001170513021 767721203 /nfs/dbraw/zinc/72/12/03/767721203.db2.gz DRFMGRDOXFGWPI-UHFFFAOYSA-N 1 0 322.321 1.221 20 5 DDBDRO Cc1nnccc1C(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001130864923 767770897 /nfs/dbraw/zinc/77/08/97/767770897.db2.gz MDSOWPDGVYHXMH-UHFFFAOYSA-N 1 0 315.333 1.213 20 5 DDBDRO CC[C@@]([NH3+])(CO)Nc1ccc(-c2cccc([N+](=O)[O-])c2)nn1 ZINC001170859616 771755558 /nfs/dbraw/zinc/75/55/58/771755558.db2.gz SRXXWIUUNOOGNF-AWEZNQCLSA-N 1 0 303.322 1.521 20 5 DDBDRO O=[N+]([O-])c1cc[n+]([O-])c(N[C@H]2CC[NH2+]C[C@H]2C(F)(F)F)c1 ZINC001160739662 772686739 /nfs/dbraw/zinc/68/67/39/772686739.db2.gz XPCCMULLYCNVJL-BDAKNGLRSA-N 1 0 306.244 1.181 20 5 DDBDRO C[NH+](C)CCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2F)CC1 ZINC001093193317 774494571 /nfs/dbraw/zinc/49/45/71/774494571.db2.gz IGYFINILMWIKQC-UHFFFAOYSA-N 1 0 324.356 1.334 20 5 DDBDRO CC1CC[NH+](CC(=O)NCCNc2ncccc2[N+](=O)[O-])CC1 ZINC001093823799 775107463 /nfs/dbraw/zinc/10/74/63/775107463.db2.gz QTQCICMZXPEFCO-UHFFFAOYSA-N 1 0 321.381 1.250 20 5 DDBDRO CC[N@H+](C)C(C)(C)C(=O)NCCNc1nc(C)ccc1[N+](=O)[O-] ZINC001093953258 775262045 /nfs/dbraw/zinc/26/20/45/775262045.db2.gz TUUUEYDUWXQNIN-UHFFFAOYSA-N 1 0 323.397 1.557 20 5 DDBDRO C[C@]1(O)COCC[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172906389 776916856 /nfs/dbraw/zinc/91/68/56/776916856.db2.gz XPBWHHXHGSSTGE-DOTOQJQBSA-N 1 0 320.389 1.925 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@H]2CCN(C)C2)c1F ZINC001173177224 777034132 /nfs/dbraw/zinc/03/41/32/777034132.db2.gz RTMOIQRAZUDSER-QWRGUYRKSA-N 1 0 311.357 1.967 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CC2CN(C)C2)c1F ZINC001173192462 777037501 /nfs/dbraw/zinc/03/75/01/777037501.db2.gz QDBRUKGENHAVTD-JTQLQIEISA-N 1 0 311.357 1.825 20 5 DDBDRO CCC[N@H+](C)CC(=O)N(C)CCNc1ncc(C)cc1[N+](=O)[O-] ZINC001101705837 777416011 /nfs/dbraw/zinc/41/60/11/777416011.db2.gz ZKFKBXVOURFXEI-UHFFFAOYSA-N 1 0 323.397 1.510 20 5 DDBDRO CN(CCNc1ncccc1[N+](=O)[O-])C(=O)C[N@H+](C)C1CCC1 ZINC001102017452 777799820 /nfs/dbraw/zinc/79/98/20/777799820.db2.gz ZJUMXHQSXWMAHF-UHFFFAOYSA-N 1 0 321.381 1.344 20 5 DDBDRO O=C(CNc1ccccc1[N+](=O)[O-])NC[C@H]1C[NH+]2CCC1CC2 ZINC001179893225 779519397 /nfs/dbraw/zinc/51/93/97/779519397.db2.gz FJNMRMFTLRGHIP-ZDUSSCGKSA-N 1 0 318.377 1.465 20 5 DDBDRO Cc1nc(NC[C@@H]2CC[N@@H+]2C2CCOCC2)ncc1[N+](=O)[O-] ZINC001120064187 781745183 /nfs/dbraw/zinc/74/51/83/781745183.db2.gz CQTAFMAIWZMSNU-LBPRGKRZSA-N 1 0 307.354 1.358 20 5 DDBDRO CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1[NH2+]CC[N+](=O)[O-] ZINC001120354168 781890547 /nfs/dbraw/zinc/89/05/47/781890547.db2.gz CEEBRWBTOBSVOE-RYUDHWBXSA-N 1 0 301.387 1.936 20 5 DDBDRO Cc1nc(C(=O)N(C)CC[NH2+]Cc2ccccc2[N+](=O)[O-])c[nH]1 ZINC001266660417 836609388 /nfs/dbraw/zinc/60/93/88/836609388.db2.gz NPGIRKFXXSGIHV-UHFFFAOYSA-N 1 0 317.349 1.488 20 5 DDBDRO CN(CC[NH2+]CCCCC(F)(F)F)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001266696607 836684940 /nfs/dbraw/zinc/68/49/40/836684940.db2.gz NHSXKLLTACZBJS-NXEZZACHSA-N 1 0 311.304 1.432 20 5 DDBDRO Cc1cc(C[NH2+]CCCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cs1 ZINC001268790466 840816409 /nfs/dbraw/zinc/81/64/09/840816409.db2.gz FZZYBBVYUWLPLW-CHWSQXEVSA-N 1 0 311.407 1.660 20 5 DDBDRO CN(C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCC[N@H+](C)C1 ZINC001326489243 861402986 /nfs/dbraw/zinc/40/29/86/861402986.db2.gz PLPNIQUVRHFISD-ZIAGYGMSSA-N 1 0 307.350 1.181 20 5 DDBDRO COc1ccc(Cl)cc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001227145771 843362067 /nfs/dbraw/zinc/36/20/67/843362067.db2.gz SZVHTXXSXCVGQI-LLVKDONJSA-N 1 0 302.778 1.711 20 5 DDBDRO C[C@@H]1C[NH2+]CCC[C@@H]1CNc1ncc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001155022835 861654350 /nfs/dbraw/zinc/65/43/50/861654350.db2.gz BFZRALFFYAFYDD-NXEZZACHSA-N 1 0 309.326 1.946 20 5 DDBDRO Cc1cnc(N2CCC[C@H](N3CC(C[NH3+])C3)C2)c([N+](=O)[O-])c1 ZINC001155362501 861993948 /nfs/dbraw/zinc/99/39/48/861993948.db2.gz FZISVCJAMJGSNF-ZDUSSCGKSA-N 1 0 305.382 1.158 20 5 DDBDRO Nc1cc([N+](=O)[O-])cnc1NCC[C@H]1C[NH2+]Cc2cccn2C1 ZINC001155459878 862110242 /nfs/dbraw/zinc/11/02/42/862110242.db2.gz YACTYYNZLCAGEC-NSHDSACASA-N 1 0 316.365 1.595 20 5 DDBDRO CN(C)/C=C/c1cc(N[C@H]2CC[C@@H]3C[NH2+]C[C@@H]32)ncc1[N+](=O)[O-] ZINC001155588022 862261027 /nfs/dbraw/zinc/26/10/27/862261027.db2.gz LHOTYONYQSFXFH-MIACCPTJSA-N 1 0 317.393 1.932 20 5 DDBDRO COc1nc(C)c([N+](=O)[O-])c(NCC[C@H]2CCC[N@H+](C)C2)n1 ZINC001156379242 862988258 /nfs/dbraw/zinc/98/82/58/862988258.db2.gz RJLOIPHKNPNBSP-LLVKDONJSA-N 1 0 309.370 1.846 20 5 DDBDRO C[C@@H](CNC(=O)NCCC[NH+](C)C)c1ccccc1[N+](=O)[O-] ZINC001121805448 858600698 /nfs/dbraw/zinc/60/06/98/858600698.db2.gz DUSCFSGJFWZGLW-LBPRGKRZSA-N 1 0 308.382 1.949 20 5 DDBDRO CC1(C)C[NH2+]C[C@@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC001122362554 858777156 /nfs/dbraw/zinc/77/71/56/858777156.db2.gz DNLILDBWPZGJBG-LBPRGKRZSA-N 1 0 311.769 1.905 20 5 DDBDRO Cc1ccc(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)n1C ZINC001123492281 859258864 /nfs/dbraw/zinc/25/88/64/859258864.db2.gz UGFRDLXDVFKMSI-UHFFFAOYSA-N 1 0 316.361 1.761 20 5 DDBDRO C[NH+](C)CC1(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC001139346013 860369473 /nfs/dbraw/zinc/36/94/73/860369473.db2.gz LFDPGAKFRFHJLZ-UHFFFAOYSA-N 1 0 317.349 1.429 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)OCCCCO[C@H]1CCCCO1 ZINC001224906773 881584009 /nfs/dbraw/zinc/58/40/09/881584009.db2.gz AHJZKNOGPDZJBK-ZBFHGGJFSA-N 1 0 318.434 1.310 20 5 DDBDRO C[NH2+][C@@H](C)CCNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC001326048411 861065635 /nfs/dbraw/zinc/06/56/35/861065635.db2.gz GSUONVRZCPSYEY-LBPRGKRZSA-N 1 0 320.393 1.923 20 5 DDBDRO C[N@@H+]1CCC[C@H](OCC(=O)OCc2ccc([N+](=O)[O-])cc2)C1 ZINC001224986808 881624847 /nfs/dbraw/zinc/62/48/47/881624847.db2.gz KKFKGSNVSNHFBG-AWEZNQCLSA-N 1 0 308.334 1.749 20 5 DDBDRO CN(c1c(Cl)[n+]([O-])ccc1[N+](=O)[O-])[C@]1(C)CCC[NH2+]C1 ZINC001156968696 863485147 /nfs/dbraw/zinc/48/51/47/863485147.db2.gz WREKWXCLCSBQQI-GFCCVEGCSA-N 1 0 300.746 1.460 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@H]3CCC[N@H+](C)[C@H]3C2)n1 ZINC001157282398 863709709 /nfs/dbraw/zinc/70/97/09/863709709.db2.gz NBWPIYZLELCEHC-MFKMUULPSA-N 1 0 320.349 1.307 20 5 DDBDRO Cc1cc(N2C[C@@H]3C[NH2+][C@@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001157624141 863985583 /nfs/dbraw/zinc/98/55/83/863985583.db2.gz QWCSZHFMRZWVFW-GXTWGEPZSA-N 1 0 311.345 1.768 20 5 DDBDRO O=C(NCCC[NH2+]Cc1cccc(F)c1F)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157767206 864118004 /nfs/dbraw/zinc/11/80/04/864118004.db2.gz JNFFAQPJNOCHPL-ZYHUDNBSSA-N 1 0 313.304 1.226 20 5 DDBDRO O=[N+]([O-])c1c(NCCC2CCC2)ncnc1N1CC[NH2+]CC1 ZINC001158048534 864390231 /nfs/dbraw/zinc/39/02/31/864390231.db2.gz HCLRVEFBASUNSG-UHFFFAOYSA-N 1 0 306.370 1.397 20 5 DDBDRO COC(=O)[C@]12CC[NH2+][C@H]1CN(c1ncc(C)cc1[N+](=O)[O-])CC2 ZINC001158636725 864774579 /nfs/dbraw/zinc/77/45/79/864774579.db2.gz MKZAVBREDQSMSM-WFASDCNBSA-N 1 0 320.349 1.030 20 5 DDBDRO [NH3+]Cc1ccc2nnn(-c3nccc(Cl)c3[N+](=O)[O-])c2c1 ZINC001159026612 865052800 /nfs/dbraw/zinc/05/28/00/865052800.db2.gz MCWBLDXUPCRQML-UHFFFAOYSA-N 1 0 304.697 1.836 20 5 DDBDRO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccc(N)c([N+](=O)[O-])c3)[C@H]2C1 ZINC001159884670 865580918 /nfs/dbraw/zinc/58/09/18/865580918.db2.gz JVHDOLJHPXIQHN-GMXVVIOVSA-N 1 0 304.350 1.247 20 5 DDBDRO CC[N@H+](C)[C@H]1CCN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC001160160330 865703996 /nfs/dbraw/zinc/70/39/96/865703996.db2.gz JELZJLSSINRPRG-ZDUSSCGKSA-N 1 0 309.341 1.829 20 5 DDBDRO COc1nc(N2c3ccccc3OC[C@@H]2C[NH3+])ncc1[N+](=O)[O-] ZINC001160195961 865720767 /nfs/dbraw/zinc/72/07/67/865720767.db2.gz QFNXJHCXJNDOTB-VIFPVBQESA-N 1 0 317.305 1.251 20 5 DDBDRO Cc1ncc([N+](=O)[O-])c(N[C@@H]2CC[NH2+]C[C@@H]2C(F)(F)F)n1 ZINC001160738898 866089356 /nfs/dbraw/zinc/08/93/56/866089356.db2.gz VOZJWCRNSWWGBK-JGVFFNPUSA-N 1 0 305.260 1.646 20 5 DDBDRO C[NH+](C)CC(C)(C)C1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC001333283472 866589838 /nfs/dbraw/zinc/58/98/38/866589838.db2.gz ADSUHRVEZYTVDB-UHFFFAOYSA-N 1 0 323.397 1.758 20 5 DDBDRO Cc1nc(NC2CCN([C@H]3CC[NH2+]C3)CC2)ccc1[N+](=O)[O-] ZINC001161464443 866685555 /nfs/dbraw/zinc/68/55/55/866685555.db2.gz WCLCVIMMHRGYIX-ZDUSSCGKSA-N 1 0 305.382 1.536 20 5 DDBDRO Cc1c(C)c(NC2CCN([C@H]3CC[NH2+]C3)CC2)ncc1[N+](=O)[O-] ZINC001161471083 866693170 /nfs/dbraw/zinc/69/31/70/866693170.db2.gz XJLNGGYTVVJYTL-AWEZNQCLSA-N 1 0 319.409 1.845 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cccc([N+](=O)[O-])c1Cl ZINC001225786640 882027698 /nfs/dbraw/zinc/02/76/98/882027698.db2.gz WFVAMMQFPYNJIU-SECBINFHSA-N 1 0 317.749 1.611 20 5 DDBDRO COCCC1([NH3+])CCN(c2nccc(Cl)c2[N+](=O)[O-])CC1 ZINC001162041467 867211376 /nfs/dbraw/zinc/21/13/76/867211376.db2.gz JLYKTAFEJJBEMX-UHFFFAOYSA-N 1 0 314.773 1.977 20 5 DDBDRO C[C@@H](CN1CC[NH2+]CC1)Nc1nccc2c1cccc2[N+](=O)[O-] ZINC001162090259 867241669 /nfs/dbraw/zinc/24/16/69/867241669.db2.gz KLGUIOUTFBBLLT-LBPRGKRZSA-N 1 0 315.377 1.849 20 5 DDBDRO COc1nc(SC)nc(N[C@H]2CCC[C@@H]([NH3+])C2)c1[N+](=O)[O-] ZINC001162393478 867507690 /nfs/dbraw/zinc/50/76/90/867507690.db2.gz VWULPYJOJLAQKN-SFYZADRCSA-N 1 0 313.383 1.797 20 5 DDBDRO O=C(N[C@@H]1CCC[NH2+]CC1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001325327405 867947589 /nfs/dbraw/zinc/94/75/89/867947589.db2.gz UAYOIXCEPPHCQY-CQSZACIVSA-N 1 0 318.377 1.805 20 5 DDBDRO O=[N+]([O-])c1c(Cl)ncnc1NCC[C@H]1CCOC12C[NH2+]C2 ZINC001163081876 868067371 /nfs/dbraw/zinc/06/73/71/868067371.db2.gz NKTALENZRBNMIH-QMMMGPOBSA-N 1 0 313.745 1.219 20 5 DDBDRO O=[N+]([O-])c1cnc2cccc(N[C@H]3COCCC34C[NH2+]C4)n21 ZINC001163082439 868069700 /nfs/dbraw/zinc/06/97/00/868069700.db2.gz QNIPXWYJHGJTRQ-JTQLQIEISA-N 1 0 303.322 1.033 20 5 DDBDRO CC[NH+](CC)CCNC(=N)Nc1nc(Cl)ncc1[N+](=O)[O-] ZINC001163122607 868125413 /nfs/dbraw/zinc/12/54/13/868125413.db2.gz NKJDFAUDBRDCQT-UHFFFAOYSA-N 1 0 315.765 1.316 20 5 DDBDRO O=[N+]([O-])c1c(NC[C@]23C[NH2+]C[C@H]2COC3)ccc2cnccc21 ZINC001163153740 868165561 /nfs/dbraw/zinc/16/55/61/868165561.db2.gz IJKWIFWEYQUQPP-LRDDRELGSA-N 1 0 314.345 1.791 20 5 DDBDRO O=C1C[C@@H]2[NH2+]CC[C@]2(Nc2cc(Cl)ccc2/C=C/[N+](=O)[O-])N1 ZINC001163253617 868263309 /nfs/dbraw/zinc/26/33/09/868263309.db2.gz LZBGJCLZXBXTFB-XXAOMFGQSA-N 1 0 322.752 1.577 20 5 DDBDRO COc1cnc(NC[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)cc1[N+](=O)[O-] ZINC001163277386 868300403 /nfs/dbraw/zinc/30/04/03/868300403.db2.gz FNGSKQAGGBCWTE-ABAIWWIYSA-N 1 0 322.365 1.569 20 5 DDBDRO C[C@H](CNC(=O)N1CC[NH2+][C@@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC001335681511 868475265 /nfs/dbraw/zinc/47/52/65/868475265.db2.gz UDGCXTRTYBJJQQ-NEPJUHHUSA-N 1 0 306.366 1.702 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2CCc3cncn3C2)c1 ZINC001335889535 868599478 /nfs/dbraw/zinc/59/94/78/868599478.db2.gz FNXPQUZHJJAOFB-IUODEOHRSA-N 1 0 302.334 1.429 20 5 DDBDRO C[C@H](NC(=O)NCCOCCC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC001335896721 868604506 /nfs/dbraw/zinc/60/45/06/868604506.db2.gz HWCQBRIGIAGDQX-NSHDSACASA-N 1 0 310.354 1.320 20 5 DDBDRO C[NH+](C)C1CN(C(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)C1 ZINC001163932646 868802922 /nfs/dbraw/zinc/80/29/22/868802922.db2.gz QYRCJKYONJQJPQ-UHFFFAOYSA-N 1 0 306.700 1.938 20 5 DDBDRO COC(=O)Cc1ccc(O[C@H](C)C[N+](C)(C)C)c([N+](=O)[O-])c1 ZINC001226215672 882283596 /nfs/dbraw/zinc/28/35/96/882283596.db2.gz CLJXUNMNHDFFQA-LLVKDONJSA-N 1 0 311.358 1.784 20 5 DDBDRO O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2C[C@@H]3[NH2+]C[C@H]3C2)c1 ZINC001165194375 869421041 /nfs/dbraw/zinc/42/10/41/869421041.db2.gz FVZMVQRBXJKPDT-RCOVLWMOSA-N 1 0 304.684 1.596 20 5 DDBDRO C[N@@H+]1C[C@@]23CN(c4ccc(N)c([N+](=O)[O-])n4)C[C@]2(C1)CCCC3 ZINC001337352403 869447476 /nfs/dbraw/zinc/44/74/76/869447476.db2.gz CKFLVEQEGGQSAQ-IYBDPMFKSA-N 1 0 317.393 1.884 20 5 DDBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001165325050 869518087 /nfs/dbraw/zinc/51/80/87/869518087.db2.gz WEAWWYQGZHRJIM-HNNXBMFYSA-N 1 0 320.393 1.895 20 5 DDBDRO CCOC(=O)c1ccnc(N2CCC[C@@H]3[NH2+]C[C@H]32)c1[N+](=O)[O-] ZINC001165393126 869563570 /nfs/dbraw/zinc/56/35/70/869563570.db2.gz FDOCSYLLKYEZID-WDEREUQCSA-N 1 0 306.322 1.107 20 5 DDBDRO COc1cc(C)nc(N2C[C@H](CF)[C@H](C3([NH3+])CC3)C2)c1[N+](=O)[O-] ZINC001165431341 869595013 /nfs/dbraw/zinc/59/50/13/869595013.db2.gz POMMKDKRKKLHDU-WDEREUQCSA-N 1 0 324.356 1.820 20 5 DDBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1C[C@@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001165433600 869596549 /nfs/dbraw/zinc/59/65/49/869596549.db2.gz OOWROQRQYQEZFC-GHMZBOCLSA-N 1 0 310.329 1.050 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC001337837203 869651271 /nfs/dbraw/zinc/65/12/71/869651271.db2.gz YYQGGKGDUZPYOX-LEWSCRJBSA-N 1 0 304.350 1.368 20 5 DDBDRO Cc1nc(-n2ccc([C@@H]3CCC[NH2+]3)nc2=N)ccc1[N+](=O)[O-] ZINC001166700200 870168428 /nfs/dbraw/zinc/16/84/28/870168428.db2.gz JDNYFZIKDOLMKG-JTQLQIEISA-N 1 0 300.322 1.388 20 5 DDBDRO CCn1c(C[N+](=O)[O-])nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC001339326118 870445948 /nfs/dbraw/zinc/44/59/48/870445948.db2.gz GDZTYXFEIDJNCX-UHFFFAOYSA-N 1 0 322.413 1.529 20 5 DDBDRO COc1cc(N[C@H](C)[C@H]2C[N@H+](C)CCN2C)ccc1[N+](=O)[O-] ZINC001339815420 870712092 /nfs/dbraw/zinc/71/20/92/870712092.db2.gz MPDPUAWHOPFNBN-BXUZGUMPSA-N 1 0 308.382 1.650 20 5 DDBDRO CCn1c(CCC[N+](=O)[O-])nnc1N1CC[N@H+](CC)[C@@H](C)C1 ZINC001340011948 870838062 /nfs/dbraw/zinc/83/80/62/870838062.db2.gz MQNPHMVJOQLWAR-LBPRGKRZSA-N 1 0 310.402 1.038 20 5 DDBDRO Cc1ccc(F)cc1C[NH2+]CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001317584794 871142334 /nfs/dbraw/zinc/14/23/34/871142334.db2.gz IVZRMBYOCOHKII-ZIAGYGMSSA-N 1 0 309.341 1.347 20 5 DDBDRO COCC(C)(C)C(=O)N(C)CC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001317610374 871195348 /nfs/dbraw/zinc/19/53/48/871195348.db2.gz NRBRZXUTUGPRRA-UHFFFAOYSA-N 1 0 323.393 1.815 20 5 DDBDRO CN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)c1ncccn1 ZINC001317644152 871296025 /nfs/dbraw/zinc/29/60/25/871296025.db2.gz WCUUILGPZAFLRF-UHFFFAOYSA-N 1 0 315.333 1.247 20 5 DDBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)[C@@H]3C[C@H]3F)c2)CC1 ZINC001340880126 871406625 /nfs/dbraw/zinc/40/66/25/871406625.db2.gz DHFLEJQMWDNEQQ-VXGBXAGGSA-N 1 0 322.340 1.643 20 5 DDBDRO Cc1noc(C[C@@H]2CCC[N@H+](CCn3cc([N+](=O)[O-])cn3)C2)n1 ZINC001308111908 871471796 /nfs/dbraw/zinc/47/17/96/871471796.db2.gz BFGTYOUARRSNCL-LBPRGKRZSA-N 1 0 320.353 1.437 20 5 DDBDRO CNc1ccc(C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1[N+](=O)[O-] ZINC001341272706 871585645 /nfs/dbraw/zinc/58/56/45/871585645.db2.gz VNBRNPLTZFBGEK-NWDGAFQWSA-N 1 0 304.350 1.318 20 5 DDBDRO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCOc1ccccc1[N+](=O)[O-])C2 ZINC001342254373 872104976 /nfs/dbraw/zinc/10/49/76/872104976.db2.gz FLHZQBNWOMWLOM-XQQFMLRXSA-N 1 0 319.361 1.702 20 5 DDBDRO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCOc1ccccc1[N+](=O)[O-])C2 ZINC001342254371 872105038 /nfs/dbraw/zinc/10/50/38/872105038.db2.gz FLHZQBNWOMWLOM-AVGNSLFASA-N 1 0 319.361 1.702 20 5 DDBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CCC[C@@]12CC[NH2+]C2 ZINC001343157845 872520579 /nfs/dbraw/zinc/52/05/79/872520579.db2.gz BUEWIVWKAYKJQF-OUOZUETKSA-N 1 0 301.346 1.963 20 5 DDBDRO [NH3+]C[C@]12CC[C@@H]1CCN2C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC001345601603 873452483 /nfs/dbraw/zinc/45/24/83/873452483.db2.gz HFGZVLBOZFXDMA-WKXYAXCVSA-N 1 0 301.346 1.948 20 5 DDBDRO [NH3+][C@H]1CCC[C@@H](NC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001348562458 874634881 /nfs/dbraw/zinc/63/48/81/874634881.db2.gz PGQWYZSOPHAXJX-QWHCGFSZSA-N 1 0 304.350 1.890 20 5 DDBDRO C[NH2+]C[C@H](C)CNC(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC001351279383 876161640 /nfs/dbraw/zinc/16/16/40/876161640.db2.gz NQZYHGHPSPJQPF-VIFPVBQESA-N 1 0 317.292 1.538 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CCN2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC001353312697 877245687 /nfs/dbraw/zinc/24/56/87/877245687.db2.gz UTLJDKWRQZSOMC-XHSDSOJGSA-N 1 0 321.377 1.081 20 5 DDBDRO C[C@@H]1C[NH2+]C[C@H]1NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC001357210680 879860868 /nfs/dbraw/zinc/86/08/68/879860868.db2.gz PCMHYEHGDVZHOU-IUODEOHRSA-N 1 0 320.393 1.825 20 5 DDBDRO C[C@@H]1C[C@@H](NC(=O)CCc2cc(F)ccc2[N+](=O)[O-])CC[NH2+]1 ZINC001357457706 879974876 /nfs/dbraw/zinc/97/48/76/879974876.db2.gz NZTWRPIGPVXBMS-MFKMUULPSA-N 1 0 309.341 1.923 20 5 DDBDRO COCC(=O)NCC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001222173035 880300948 /nfs/dbraw/zinc/30/09/48/880300948.db2.gz FIDKDGBAAIUBLT-UHFFFAOYSA-N 1 0 321.377 1.569 20 5 DDBDRO [NH3+]C[C@]12CC[C@@H]1CCCN2C(=O)Cc1ccccc1[N+](=O)[O-] ZINC001358393808 880420221 /nfs/dbraw/zinc/42/02/21/880420221.db2.gz LEJZHFFQKDLYKY-XJKSGUPXSA-N 1 0 303.362 1.867 20 5 DDBDRO COc1cc(CO[C@H](C)CN2CCOCC2)cc([N+](=O)[O-])c1 ZINC001223397124 880946509 /nfs/dbraw/zinc/94/65/09/880946509.db2.gz VMDRJYIHAZEIFR-GFCCVEGCSA-N 1 0 310.350 1.841 20 5 DDBDRO COC(=O)[C@@H]1C[C@@H](OCc2cccc(C)c2[N+](=O)[O-])CN1C ZINC001223661048 881050620 /nfs/dbraw/zinc/05/06/20/881050620.db2.gz KNBFPKLVGLTGDR-OLZOCXBDSA-N 1 0 308.334 1.666 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)OCCc1ccc([N+](=O)[O-])cc1 ZINC001224332095 881332881 /nfs/dbraw/zinc/33/28/81/881332881.db2.gz UKRWFZFMEHPWDX-CQSZACIVSA-N 1 0 311.358 1.138 20 5 DDBDRO COC(=O)c1ccc(O[C@H](C)C[N+](C)(C)C)c(C(=O)OC)c1 ZINC001228953042 883746324 /nfs/dbraw/zinc/74/63/24/883746324.db2.gz OEIXRSPIVGUEMK-LLVKDONJSA-N 1 0 310.370 1.733 20 5 DDBDRO CC(=O)Nc1ccc([N+](=O)[O-])cc1OC[C@@H]1CN(C)CCO1 ZINC001230245886 884387836 /nfs/dbraw/zinc/38/78/36/884387836.db2.gz DZIYHFACCSTFKV-LBPRGKRZSA-N 1 0 309.322 1.263 20 5 DDBDRO CCOC(=O)CN(CC[NH3+])[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254539069 896494096 /nfs/dbraw/zinc/49/40/96/896494096.db2.gz BBQOSVWZHQIQFV-LBPRGKRZSA-N 1 0 309.366 1.350 20 5 DDBDRO COC(=O)[C@@H]1COCC[C@@H]1[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254548121 896499041 /nfs/dbraw/zinc/49/90/41/896499041.db2.gz GRGMCWFLJPTRBW-YUTCNCBUSA-N 1 0 322.361 1.694 20 5 DDBDRO NC(=O)c1cncc(C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001254588350 896518909 /nfs/dbraw/zinc/51/89/09/896518909.db2.gz DOOAJKVYEYDQIV-CQSZACIVSA-N 1 0 312.329 1.346 20 5 DDBDRO C[C@]1(CO)C[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC[C@H]1O ZINC001254593351 896521459 /nfs/dbraw/zinc/52/14/59/896521459.db2.gz LILUJHRMWPUFED-ARFHVFGLSA-N 1 0 306.362 1.127 20 5 DDBDRO Cc1cc(N(C(N)=[NH2+])[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)n[nH]1 ZINC001254601093 896523769 /nfs/dbraw/zinc/52/37/69/896523769.db2.gz ZEHYKWMLENUYIY-GFCCVEGCSA-N 1 0 300.322 1.494 20 5 DDBDRO CN(C)C(=O)[C@H]1CCC[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254597366 896523950 /nfs/dbraw/zinc/52/39/50/896523950.db2.gz CTQRIKUNHMFCLN-BBRMVZONSA-N 1 0 317.389 1.862 20 5 DDBDRO COC(=O)[C@H]1CCC[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254599697 896524336 /nfs/dbraw/zinc/52/43/36/896524336.db2.gz PAFWHLFEUPVTHR-SWLSCSKDSA-N 1 0 304.346 1.947 20 5 DDBDRO CC(=O)N1CCN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C[C@@H]1C ZINC001254606853 896527080 /nfs/dbraw/zinc/52/70/80/896527080.db2.gz IQWMVIYCBAQFNT-MEDUHNTESA-N 1 0 303.362 1.615 20 5 DDBDRO COC(=O)[C@H]1C[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C[C@@H]1C ZINC001254605777 896528530 /nfs/dbraw/zinc/52/85/30/896528530.db2.gz DLEDTOAFXWNDPE-LKTVYLICSA-N 1 0 304.346 1.803 20 5 DDBDRO CN1CCC2(C[NH+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)C1=O ZINC001254611075 896531764 /nfs/dbraw/zinc/53/17/64/896531764.db2.gz UMBTVJBJPUROBV-CQSZACIVSA-N 1 0 301.346 1.226 20 5 DDBDRO COc1cc(N2CCC([NH2+]C3CC(=O)C3)CC2)ccc1[N+](=O)[O-] ZINC001256087072 897277046 /nfs/dbraw/zinc/27/70/46/897277046.db2.gz OHNQGUOGFCIQCD-UHFFFAOYSA-N 1 0 319.361 1.893 20 5 DDBDRO C[NH+](C)CC1(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001261908908 899820768 /nfs/dbraw/zinc/82/07/68/899820768.db2.gz DDXAIRPVSFQERR-UHFFFAOYSA-N 1 0 303.362 1.821 20 5 DDBDRO C[C@@H]1SCC[C@@H]1[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC001262576295 900255710 /nfs/dbraw/zinc/25/57/10/900255710.db2.gz MICDPXPTWGJAKZ-SRVKXCTJSA-N 1 0 312.391 1.818 20 5 DDBDRO CC1(C)[NH2+]CC[C@@H]1NC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001263111180 900504559 /nfs/dbraw/zinc/50/45/59/900504559.db2.gz UYQHIVLRTWSRGC-RDBSUJKOSA-N 1 0 303.362 1.955 20 5 DDBDRO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C[C@H]1CC[NH3+] ZINC001263189630 900527732 /nfs/dbraw/zinc/52/77/32/900527732.db2.gz CGHULUMVEDNJLW-VXGBXAGGSA-N 1 0 320.393 1.718 20 5 DDBDRO C[C@H]1C[C@H](NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC[NH2+]1 ZINC000278284381 214066731 /nfs/dbraw/zinc/06/67/31/214066731.db2.gz QGOJKWJYNUSYAN-VHSXEESVSA-N 1 0 311.313 1.369 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC000278783614 214399605 /nfs/dbraw/zinc/39/96/05/214399605.db2.gz DIJKDUIMRPFARB-INIZCTEOSA-N 1 0 319.361 1.706 20 5 DDBDRO Cc1nn(C)c(NC[C@H](O)C[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000078727596 282274609 /nfs/dbraw/zinc/27/46/09/282274609.db2.gz SMWCVHIOXAILPQ-LBPRGKRZSA-N 1 0 311.386 1.141 20 5 DDBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000421701039 529949502 /nfs/dbraw/zinc/94/95/02/529949502.db2.gz GRSJOKXTLBVZDW-NSHDSACASA-N 1 0 309.370 1.079 20 5 DDBDRO CC[N@@H+]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000286724899 219131029 /nfs/dbraw/zinc/13/10/29/219131029.db2.gz XKNFWFYTUWKRAW-NSHDSACASA-N 1 0 306.366 1.220 20 5 DDBDRO COc1c(C(=O)N2CCO[C@H](C[NH+](C)C)C2)cccc1[N+](=O)[O-] ZINC000331052311 232428532 /nfs/dbraw/zinc/42/85/32/232428532.db2.gz IXTMOMRSPCERPN-LLVKDONJSA-N 1 0 323.349 1.006 20 5 DDBDRO CC[C@@]1([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CCOC1 ZINC000616866081 362853349 /nfs/dbraw/zinc/85/33/49/362853349.db2.gz LTRDYARFJVQDRP-SWLSCSKDSA-N 1 0 310.350 1.493 20 5 DDBDRO COC[C@@H](C[NH2+]Cc1cc(OC)c(O)cc1[N+](=O)[O-])OC ZINC000358485312 299168635 /nfs/dbraw/zinc/16/86/35/299168635.db2.gz UOMZYPGUFSDJLD-SNVBAGLBSA-N 1 0 300.311 1.060 20 5 DDBDRO C[C@H](C[NH+](C)C)NC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000358485787 299169744 /nfs/dbraw/zinc/16/97/44/299169744.db2.gz VIKRSGQSBSJTDC-GFCCVEGCSA-N 1 0 308.382 1.729 20 5 DDBDRO C[C@@H](C[NH3+])N(C)C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000237477510 186295415 /nfs/dbraw/zinc/29/54/15/186295415.db2.gz DJBGHUQELCLVEI-JTQLQIEISA-N 1 0 303.322 1.200 20 5 DDBDRO Cc1cc(N2CCC([N@H+](C)CCCO)CC2)ncc1[N+](=O)[O-] ZINC000266846704 186357075 /nfs/dbraw/zinc/35/70/75/186357075.db2.gz PFEBRXBHBDCPCQ-UHFFFAOYSA-N 1 0 308.382 1.581 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2CSc3ccccc32)c1 ZINC000564854995 304019437 /nfs/dbraw/zinc/01/94/37/304019437.db2.gz VBVQXOUKRFXUJV-YPMHNXCESA-N 1 0 320.374 1.589 20 5 DDBDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000487437509 233801749 /nfs/dbraw/zinc/80/17/49/233801749.db2.gz ILZZPABOALXJNE-RYUDHWBXSA-N 1 0 323.397 1.515 20 5 DDBDRO COc1ccc(OCC[N@@H+]2CC[C@H](CO)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000488753103 233899060 /nfs/dbraw/zinc/89/90/60/233899060.db2.gz QHDPAOIMYJIDDM-NWDGAFQWSA-N 1 0 310.350 1.685 20 5 DDBDRO C[C@@H](CNC(=O)Cn1cc([N+](=O)[O-])cn1)[N@@H+]1CCCC[C@H]1C ZINC000043085832 352360317 /nfs/dbraw/zinc/36/03/17/352360317.db2.gz FKWORRPFEYYIDH-NEPJUHHUSA-N 1 0 309.370 1.170 20 5 DDBDRO CNC(=O)C1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000046054803 352435034 /nfs/dbraw/zinc/43/50/34/352435034.db2.gz KFEKMHGYZNLFLB-UHFFFAOYSA-N 1 0 307.350 1.432 20 5 DDBDRO C[N@@H+]1CCC[C@@H](NC(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000054644034 352699793 /nfs/dbraw/zinc/69/97/93/352699793.db2.gz BQCROYWIYJURPA-CYBMUJFWSA-N 1 0 306.366 1.531 20 5 DDBDRO C[NH+](C)[C@H]1CCCN(C(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000277150767 213329163 /nfs/dbraw/zinc/32/91/63/213329163.db2.gz IOPCGOPYDDIFGG-ZDUSSCGKSA-N 1 0 321.377 1.916 20 5 DDBDRO CC[NH+]1CCC(CNC(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000065893503 352967645 /nfs/dbraw/zinc/96/76/45/352967645.db2.gz GKJMZMYQJPFQJX-UHFFFAOYSA-N 1 0 320.393 1.855 20 5 DDBDRO C[C@@H](CCCC[NH3+])NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000292119985 222849303 /nfs/dbraw/zinc/84/93/03/222849303.db2.gz QLTQUKZNAZCTDG-LBPRGKRZSA-N 1 0 309.366 1.997 20 5 DDBDRO C[C@H](CNC(=O)CCn1cc([N+](=O)[O-])cn1)C[NH+]1CCCC1 ZINC000068179609 353093946 /nfs/dbraw/zinc/09/39/46/353093946.db2.gz NZKDZSNMMQTHLW-GFCCVEGCSA-N 1 0 309.370 1.030 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C[C@H](C)O)C(C)C ZINC000072610944 353204607 /nfs/dbraw/zinc/20/46/07/353204607.db2.gz OSVRGCPACXAOKS-LBPRGKRZSA-N 1 0 309.366 1.933 20 5 DDBDRO CC[C@@H](CO)[NH+]1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000174138185 198296327 /nfs/dbraw/zinc/29/63/27/198296327.db2.gz KSHRUSDFJNMRNN-AWEZNQCLSA-N 1 0 323.393 1.362 20 5 DDBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174144747 198297302 /nfs/dbraw/zinc/29/73/02/198297302.db2.gz MZKIQIMIIYFXEK-GFCCVEGCSA-N 1 0 309.370 1.124 20 5 DDBDRO CN1CC[C@@H]([NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)C1=O ZINC000174242048 198310407 /nfs/dbraw/zinc/31/04/07/198310407.db2.gz XEWQGADWBRCSCN-OAHLLOKOSA-N 1 0 319.361 1.669 20 5 DDBDRO C[C@]1(C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CCC[NH2+]1 ZINC000117543120 353994434 /nfs/dbraw/zinc/99/44/34/353994434.db2.gz AAXBKPBEAOHAGM-MRXNPFEDSA-N 1 0 318.377 1.386 20 5 DDBDRO CCOc1ccc(C(=O)N2CC[C@H]([NH3+])C[C@H]2C)cc1[N+](=O)[O-] ZINC000154219331 354204961 /nfs/dbraw/zinc/20/49/61/354204961.db2.gz AIBZMWGWIDBMCF-PWSUYJOCSA-N 1 0 307.350 1.945 20 5 DDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CC[C@H](O)C(F)F)n1 ZINC000601299417 358485056 /nfs/dbraw/zinc/48/50/56/358485056.db2.gz QQOLGLARIJGSKO-MXWKQRLJSA-N 1 0 318.324 1.881 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]Cc2cc(F)ccc2F)c1 ZINC000315849358 354497485 /nfs/dbraw/zinc/49/74/85/354497485.db2.gz NXCVQLAUSBUKLQ-LBPRGKRZSA-N 1 0 312.276 1.220 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1Cn1cc(C2CC[NH2+]CC2)nn1 ZINC000404601417 354675951 /nfs/dbraw/zinc/67/59/51/354675951.db2.gz XMCZKWKDSLSAKG-UHFFFAOYSA-N 1 0 317.349 1.710 20 5 DDBDRO Cc1nnsc1C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000584775501 354764623 /nfs/dbraw/zinc/76/46/23/354764623.db2.gz LHSLMKNKPBCYAX-SNVBAGLBSA-N 1 0 324.362 1.284 20 5 DDBDRO COc1ccc(CC(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000590044221 355042551 /nfs/dbraw/zinc/04/25/51/355042551.db2.gz ISKOCPSNGZIHLT-JSGCOSHPSA-N 1 0 319.361 1.308 20 5 DDBDRO COc1cc(C(=O)N2CC[C@@H]3C[N@H+](C)C[C@H]32)cc([N+](=O)[O-])c1C ZINC000590047188 355044305 /nfs/dbraw/zinc/04/43/05/355044305.db2.gz XDJJTURWRTUFNN-BXUZGUMPSA-N 1 0 319.361 1.688 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC000590446498 355099851 /nfs/dbraw/zinc/09/98/51/355099851.db2.gz VZFCVKRQXNRXCN-GWCFXTLKSA-N 1 0 305.334 1.380 20 5 DDBDRO O=[N+]([O-])c1cc(CN2CCc3nc[nH]c3C2)c2c(c1)COCO2 ZINC000590599551 355126145 /nfs/dbraw/zinc/12/61/45/355126145.db2.gz IOASCWJRTZTAQP-UHFFFAOYSA-N 1 0 316.317 1.743 20 5 DDBDRO Cc1c(NC(=O)CC[N@H+]2CC[C@@H](O)[C@H]2C)cccc1[N+](=O)[O-] ZINC000590762310 355170168 /nfs/dbraw/zinc/17/01/68/355170168.db2.gz QLELKNXPOWQLDU-BXUZGUMPSA-N 1 0 307.350 1.687 20 5 DDBDRO C[C@H](Cc1cnccn1)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000590778089 355176660 /nfs/dbraw/zinc/17/66/60/355176660.db2.gz JHRJITMVZLLVOA-GFCCVEGCSA-N 1 0 302.334 1.984 20 5 DDBDRO CN(CC[NH+]1CCCC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000074917863 191387198 /nfs/dbraw/zinc/38/71/98/191387198.db2.gz XGFMMUPYAYQJHA-UHFFFAOYSA-N 1 0 313.379 1.311 20 5 DDBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCCC[NH2+]1 ZINC000591347088 355294545 /nfs/dbraw/zinc/29/45/45/355294545.db2.gz XIXMXQMJRGXMMM-CYBMUJFWSA-N 1 0 306.366 1.579 20 5 DDBDRO CN(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C[C@H]1CCC[N@@H+]1C ZINC000591505418 355322046 /nfs/dbraw/zinc/32/20/46/355322046.db2.gz JOFGMUYSXOJDRH-CYBMUJFWSA-N 1 0 321.377 1.892 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@H]2CCc3cccnc3CC2)c1 ZINC000591531678 355323712 /nfs/dbraw/zinc/32/37/12/355323712.db2.gz ORUHVTZQRYDDOZ-CYBMUJFWSA-N 1 0 301.350 1.724 20 5 DDBDRO C[C@@H](C[S@@](C)=O)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000591760697 355379570 /nfs/dbraw/zinc/37/95/70/355379570.db2.gz PTSRWDSEZFCDCO-CHNSCGDPSA-N 1 0 313.379 1.280 20 5 DDBDRO COc1ccc(C(=O)N2CC[NH2+][C@@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000592247010 355546878 /nfs/dbraw/zinc/54/68/78/355546878.db2.gz QTGRFTFHSVAHGT-GFCCVEGCSA-N 1 0 307.350 1.673 20 5 DDBDRO CCOC(=O)c1cc(C(=O)N2CC[C@H](C[NH3+])C2)cc([N+](=O)[O-])c1 ZINC000592294577 355554031 /nfs/dbraw/zinc/55/40/31/355554031.db2.gz FQUUJECLWZOLBI-SNVBAGLBSA-N 1 0 321.333 1.192 20 5 DDBDRO O=[N+]([O-])c1cc2c(cc1CN1C[C@H]3C[NH2+]C[C@H]3C1)OCCO2 ZINC000592432400 355582097 /nfs/dbraw/zinc/58/20/97/355582097.db2.gz WRCRAOICROCEIV-TXEJJXNPSA-N 1 0 305.334 1.017 20 5 DDBDRO O=C(CN(C1CC1)C1CC[NH2+]CC1)Nc1ccccc1[N+](=O)[O-] ZINC000592471205 355593018 /nfs/dbraw/zinc/59/30/18/355593018.db2.gz JPQPVMFQOSJXKY-UHFFFAOYSA-N 1 0 318.377 1.750 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000592476546 355593467 /nfs/dbraw/zinc/59/34/67/355593467.db2.gz IIKQECQFLHZAPJ-CHWSQXEVSA-N 1 0 321.377 1.708 20 5 DDBDRO [NH3+][C@H]1CCC[C@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000592543544 355622675 /nfs/dbraw/zinc/62/26/75/355622675.db2.gz FXUUTKBHRKHUGG-IUCAKERBSA-N 1 0 307.306 1.323 20 5 DDBDRO C[C@H]([NH3+])CNC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000592546808 355623112 /nfs/dbraw/zinc/62/31/12/355623112.db2.gz CQFWWZFRJUNDLN-YUMQZZPRSA-N 1 0 301.730 1.479 20 5 DDBDRO CNc1ccc(C(=O)N[C@H]2[C@@H](C)[NH2+]CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000592546556 355623315 /nfs/dbraw/zinc/62/33/15/355623315.db2.gz BCHIMTSJZDLRGV-IMSIIYSGSA-N 1 0 306.366 1.753 20 5 DDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000592569056 355632832 /nfs/dbraw/zinc/63/28/32/355632832.db2.gz XOAHPNUMODKNST-JTQLQIEISA-N 1 0 304.350 1.582 20 5 DDBDRO Cc1c(NC(=O)[C@H](C)N2C[C@@H]3C[C@H]2C[NH2+]3)cccc1[N+](=O)[O-] ZINC000601326691 358498488 /nfs/dbraw/zinc/49/84/88/358498488.db2.gz GSFKCYJDZUUUCX-SRVKXCTJSA-N 1 0 304.350 1.276 20 5 DDBDRO Cc1c(NC(=O)[C@@H](C)N2C[C@@H]3C[C@H]2C[NH2+]3)cccc1[N+](=O)[O-] ZINC000601326695 358498738 /nfs/dbraw/zinc/49/87/38/358498738.db2.gz GSFKCYJDZUUUCX-WOPDTQHZSA-N 1 0 304.350 1.276 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[N@H+](C)[C@H](C)[C@H]2C)c1 ZINC000593019059 355771046 /nfs/dbraw/zinc/77/10/46/355771046.db2.gz DGQLKQOJIFOPFB-VXGBXAGGSA-N 1 0 321.377 1.906 20 5 DDBDRO C[C@@H]1C[N@H+](C)[C@H](C)[C@H](C)N1C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000593187839 355820867 /nfs/dbraw/zinc/82/08/67/355820867.db2.gz USWHIQWUFBGJCU-UTUOFQBUSA-N 1 0 309.370 1.121 20 5 DDBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)Cc3ccc(F)cc3[N+](=O)[O-])[C@H]2C1 ZINC000593588731 355935031 /nfs/dbraw/zinc/93/50/31/355935031.db2.gz LXBKQCNUTCIOFL-NHYWBVRUSA-N 1 0 321.352 1.829 20 5 DDBDRO C[C@@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2N)[C@@H]1CC[NH3+] ZINC000593915642 356058307 /nfs/dbraw/zinc/05/83/07/356058307.db2.gz JIGWUWUBOCQWSG-ZYHUDNBSSA-N 1 0 306.366 1.767 20 5 DDBDRO O=C([C@H]1C[C@@]12CCC[NH2+]C2)N1CCc2c1cccc2[N+](=O)[O-] ZINC000594447925 356219743 /nfs/dbraw/zinc/21/97/43/356219743.db2.gz XVMSGUPIGLGNNN-MLGOLLRUSA-N 1 0 301.346 1.874 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594417365 356203260 /nfs/dbraw/zinc/20/32/60/356203260.db2.gz BZDBOQOBFZCBPD-QWRGUYRKSA-N 1 0 307.354 1.075 20 5 DDBDRO CC[N@H+](C)C[C@H](O)Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000594571558 356252621 /nfs/dbraw/zinc/25/26/21/356252621.db2.gz QREGUCLXLOXUEE-ZDUSSCGKSA-N 1 0 304.350 1.771 20 5 DDBDRO CC(C)[C@H]([NH3+])CCN(C)C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000236827729 202027737 /nfs/dbraw/zinc/02/77/37/202027737.db2.gz ZGTRMUARVWJJJO-CQSZACIVSA-N 1 0 309.366 1.805 20 5 DDBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C1(CO)CCC1 ZINC000292270389 222953482 /nfs/dbraw/zinc/95/34/82/222953482.db2.gz ZKZDRYWSRJNYEF-UHFFFAOYSA-N 1 0 307.350 1.770 20 5 DDBDRO CS(=O)(=O)CC1(CC[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000594948871 356362350 /nfs/dbraw/zinc/36/23/50/356362350.db2.gz AVQQVHVIYSULMG-UHFFFAOYSA-N 1 0 312.391 1.899 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCN1CCO[C@@H](C)C1 ZINC000595012867 356372271 /nfs/dbraw/zinc/37/22/71/356372271.db2.gz PLRSZTIHVAKUHU-QWHCGFSZSA-N 1 0 323.393 1.975 20 5 DDBDRO Cc1ccc(S(=O)(=O)N2CC3CC2(C[NH3+])C3)cc1[N+](=O)[O-] ZINC000595118246 356385395 /nfs/dbraw/zinc/38/53/95/356385395.db2.gz MWTPITDXTQZDLU-UHFFFAOYSA-N 1 0 311.363 1.015 20 5 DDBDRO COc1cc(CN2CC[C@H]([NH3+])[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000347036818 283156496 /nfs/dbraw/zinc/15/64/96/283156496.db2.gz HIOIXKCUWLDPOP-JQWIXIFHSA-N 1 0 309.366 1.781 20 5 DDBDRO O=[N+]([O-])c1ccc(-c2noc(CN3C[C@H]4CC[C@@H](C3)[NH2+]4)n2)cc1 ZINC000601330834 358501708 /nfs/dbraw/zinc/50/17/08/358501708.db2.gz YHCKGLMDZFDETH-TXEJJXNPSA-N 1 0 315.333 1.581 20 5 DDBDRO COc1ccc(NC(=O)NCC2([NH3+])CCCC2)cc1[N+](=O)[O-] ZINC000595230264 356412891 /nfs/dbraw/zinc/41/28/91/356412891.db2.gz CVIZGBZZYOMDIU-UHFFFAOYSA-N 1 0 308.338 1.996 20 5 DDBDRO COC[C@H](C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)OC ZINC000595370251 356468108 /nfs/dbraw/zinc/46/81/08/356468108.db2.gz FYIHJIZBXWPYNJ-YPMHNXCESA-N 1 0 310.354 1.137 20 5 DDBDRO CCC[N@@H+]1CC[C@H](NC(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000595575691 356558961 /nfs/dbraw/zinc/55/89/61/356558961.db2.gz WHEGWVPPAIVPTF-AWEZNQCLSA-N 1 0 320.393 1.921 20 5 DDBDRO CC[NH2+]CCNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000236899271 202060173 /nfs/dbraw/zinc/06/01/73/202060173.db2.gz XOFCTUVWOTZTMR-UHFFFAOYSA-N 1 0 315.757 1.743 20 5 DDBDRO COc1cccc(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)c1[N+](=O)[O-] ZINC000618210178 363512816 /nfs/dbraw/zinc/51/28/16/363512816.db2.gz SGKBATBAXXJYOA-LBPRGKRZSA-N 1 0 319.361 1.818 20 5 DDBDRO CCCC[C@H](C[NH3+])NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000236927282 202075583 /nfs/dbraw/zinc/07/55/83/202075583.db2.gz REWHNNQSBRZITE-SNVBAGLBSA-N 1 0 310.310 1.750 20 5 DDBDRO O=C1CC[C@H]2C[N@H+](CCOc3ccc([N+](=O)[O-])cc3)CC[C@@H]2N1 ZINC000595745626 356633720 /nfs/dbraw/zinc/63/37/20/356633720.db2.gz YSSWJUZDQKGQDK-WFASDCNBSA-N 1 0 319.361 1.574 20 5 DDBDRO CN(C(=O)C[N@@H+]1CC[C@H]2COC[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000595829514 356666734 /nfs/dbraw/zinc/66/67/34/356666734.db2.gz IGDDJANBBURVBU-QWHCGFSZSA-N 1 0 319.361 1.526 20 5 DDBDRO O=C(CC[N@@H+]1CC[C@@H]2COC[C@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000595828149 356666849 /nfs/dbraw/zinc/66/68/49/356666849.db2.gz UVRPHTWSXSOHRE-CHWSQXEVSA-N 1 0 319.361 1.892 20 5 DDBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)C1([NH2+]C2CC2)CCC1 ZINC000595931017 356709521 /nfs/dbraw/zinc/70/95/21/356709521.db2.gz FIPIBUWWEYNINK-UHFFFAOYSA-N 1 0 303.362 1.928 20 5 DDBDRO COc1cc(C(=O)NCC2([NH3+])CCCC2)cc([N+](=O)[O-])c1C ZINC000595968567 356728217 /nfs/dbraw/zinc/72/82/17/356728217.db2.gz ZZESPGNVEYIBET-UHFFFAOYSA-N 1 0 307.350 1.913 20 5 DDBDRO CN(CC(C)(C)[NH3+])C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000595943276 356716004 /nfs/dbraw/zinc/71/60/04/356716004.db2.gz IYDKVSKQTXVIDP-UHFFFAOYSA-N 1 0 317.349 1.590 20 5 DDBDRO CC[C@H](CNc1ccc([N+](=O)[O-])c(C(N)=O)c1)[NH+]1CCCC1 ZINC000596074318 356762423 /nfs/dbraw/zinc/76/24/23/356762423.db2.gz QUMXMOFNNVMQCJ-GFCCVEGCSA-N 1 0 306.366 1.980 20 5 DDBDRO CC[NH+]1CCN(CCCNc2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596073008 356762874 /nfs/dbraw/zinc/76/28/74/356762874.db2.gz CVSWIYDAXLFYNS-UHFFFAOYSA-N 1 0 309.370 1.135 20 5 DDBDRO C[NH2+]C[C@@H]1CCCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])C1 ZINC000237173037 202174683 /nfs/dbraw/zinc/17/46/83/202174683.db2.gz VFTITIODKYJXIQ-ZDUSSCGKSA-N 1 0 320.393 1.489 20 5 DDBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596163182 356797692 /nfs/dbraw/zinc/79/76/92/356797692.db2.gz QDQGZGPQBRBEEW-NOZJJQNGSA-N 1 0 304.350 1.588 20 5 DDBDRO C[N@@H+]1CC[C@H]2CCN(c3ccc([N+](=O)[O-])c(C(N)=O)c3)[C@@H]2C1 ZINC000596189724 356806988 /nfs/dbraw/zinc/80/69/88/356806988.db2.gz QGHLRECYVULPHF-IINYFYTJSA-N 1 0 304.350 1.224 20 5 DDBDRO CN1CCC([N@@H+]2CC[C@H](Nc3cc[nH]c(=O)c3[N+](=O)[O-])C2)CC1 ZINC000596123075 356781781 /nfs/dbraw/zinc/78/17/81/356781781.db2.gz MJUZAAZTHXYMEL-NSHDSACASA-N 1 0 321.381 1.276 20 5 DDBDRO C[C@@H](CCNc1c(Br)cncc1[N+](=O)[O-])[NH+](C)C ZINC000596435038 356879671 /nfs/dbraw/zinc/87/96/71/356879671.db2.gz ZRGZSEGTFHANCX-QMMMGPOBSA-N 1 0 317.187 1.926 20 5 DDBDRO CC[N@@H+]1CCCN(c2ccc(C(=O)NC)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000596268625 356838970 /nfs/dbraw/zinc/83/89/70/356838970.db2.gz KTTHQRJSXAMVEM-GFCCVEGCSA-N 1 0 320.393 1.875 20 5 DDBDRO C[NH2+]C[C@H]1CCCN1C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000237228212 202197101 /nfs/dbraw/zinc/19/71/01/202197101.db2.gz WNOGLFHFPMIFLZ-LLVKDONJSA-N 1 0 323.349 1.193 20 5 DDBDRO CC(C)(CNC(=O)CCn1cc([N+](=O)[O-])cn1)C[NH+]1CCCC1 ZINC000276886313 213154517 /nfs/dbraw/zinc/15/45/17/213154517.db2.gz PYJMTSDDWVMAGM-UHFFFAOYSA-N 1 0 323.397 1.420 20 5 DDBDRO C[C@H]1C[NH+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@H](C)C1O ZINC000597204353 357091722 /nfs/dbraw/zinc/09/17/22/357091722.db2.gz HSODFMUHMOCLAA-QWRGUYRKSA-N 1 0 322.361 1.815 20 5 DDBDRO CC[NH+]1CCN(CC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000597666676 357275658 /nfs/dbraw/zinc/27/56/58/357275658.db2.gz KWKAAOVDFUQSHZ-UHFFFAOYSA-N 1 0 320.393 1.788 20 5 DDBDRO CCc1n[nH]c(C(=O)N(CC)[C@H]2CC[N@H+](CC)C2)c1[N+](=O)[O-] ZINC000598043928 357440843 /nfs/dbraw/zinc/44/08/43/357440843.db2.gz XMIBSJMATBSRNC-JTQLQIEISA-N 1 0 309.370 1.437 20 5 DDBDRO CN(CC1C[NH+](C)C1)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000598162463 357478471 /nfs/dbraw/zinc/47/84/71/357478471.db2.gz IBOCYWHLBKKJJX-UHFFFAOYSA-N 1 0 302.334 1.710 20 5 DDBDRO C[NH+](C)CCC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cn2)CCO1 ZINC000598539613 357626905 /nfs/dbraw/zinc/62/69/05/357626905.db2.gz JENDIGNEPZIPHQ-CYBMUJFWSA-N 1 0 322.365 1.173 20 5 DDBDRO COC(=O)c1ccnc(N2CCC[C@@H]([NH2+]C(C)C)C2)c1[N+](=O)[O-] ZINC000598592270 357644375 /nfs/dbraw/zinc/64/43/75/357644375.db2.gz INFXCMRLHOKHBJ-LLVKDONJSA-N 1 0 322.365 1.743 20 5 DDBDRO Cc1ccc(S(=O)(=O)N[C@@H](C[NH3+])C2CC2)c(C)c1[N+](=O)[O-] ZINC000598716594 357701662 /nfs/dbraw/zinc/70/16/62/357701662.db2.gz OSQYIKDOPPOABG-NSHDSACASA-N 1 0 313.379 1.227 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCN1CC[C@@H](O)C1)CCC2 ZINC000599084667 357810465 /nfs/dbraw/zinc/81/04/65/357810465.db2.gz DVSJKNBTEGGDRS-ZBFHGGJFSA-N 1 0 305.378 1.628 20 5 DDBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CCN1CC[C@H](O)C1)C1CC1 ZINC000599094580 357814295 /nfs/dbraw/zinc/81/42/95/357814295.db2.gz VYSKZSWXWHMWOC-HOTGVXAUSA-N 1 0 319.405 1.572 20 5 DDBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC([NH+]2CCOCC2)CC1 ZINC000599104064 357816810 /nfs/dbraw/zinc/81/68/10/357816810.db2.gz LKGRCAVKHQUGRV-UHFFFAOYSA-N 1 0 306.366 1.599 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@@H]2CC[NH2+][C@H]2C)c1 ZINC000599111544 357819245 /nfs/dbraw/zinc/81/92/45/357819245.db2.gz JNXSWMSKIJKZEV-WDEREUQCSA-N 1 0 313.379 1.240 20 5 DDBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1COCCN1C ZINC000599004984 357790782 /nfs/dbraw/zinc/79/07/82/357790782.db2.gz YATGMOHDEXZOOO-LPDYGMJQSA-N 1 0 305.378 1.918 20 5 DDBDRO COC(=O)C[C@@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)C1CCCCC1 ZINC000347958501 283306595 /nfs/dbraw/zinc/30/65/95/283306595.db2.gz LBQCWOPVSOTSJH-GFCCVEGCSA-N 1 0 324.381 1.930 20 5 DDBDRO COc1ccc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)cc1[N+](=O)[O-] ZINC000599988551 358096987 /nfs/dbraw/zinc/09/69/87/358096987.db2.gz HSCCEBJIPZVNPR-YABSGUDNSA-N 1 0 305.334 1.235 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000600315554 358193766 /nfs/dbraw/zinc/19/37/66/358193766.db2.gz UVTQJTUPOHPTQF-ZDUSSCGKSA-N 1 0 323.397 1.338 20 5 DDBDRO C[C@@H]([NH2+][C@@H](C)C(=O)NC[C@@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000180452422 199161562 /nfs/dbraw/zinc/16/15/62/199161562.db2.gz SBZVOMFDJUSLEN-XUJVJEKNSA-N 1 0 321.377 1.929 20 5 DDBDRO Cc1n[nH]c(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)c1[N+](=O)[O-] ZINC000600474008 358234713 /nfs/dbraw/zinc/23/47/13/358234713.db2.gz WAYNTESQMBPCSP-NSHDSACASA-N 1 0 307.354 1.373 20 5 DDBDRO C[NH2+]CC1CCN(C(=O)c2cc(C)cc([N+](=O)[O-])c2N)CC1 ZINC000237346797 202240533 /nfs/dbraw/zinc/24/05/33/202240533.db2.gz MVFFTWGOYTZPSL-UHFFFAOYSA-N 1 0 306.366 1.557 20 5 DDBDRO Cc1ccccc1[C@@H]1C[C@H]1[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000600756197 358308572 /nfs/dbraw/zinc/30/85/72/358308572.db2.gz FPTQWISSEOULMX-VNQPRFMTSA-N 1 0 316.361 1.606 20 5 DDBDRO CN1CCCC[C@H]([N@H+](C)CCOc2ccccc2[N+](=O)[O-])C1=O ZINC000601970239 358758542 /nfs/dbraw/zinc/75/85/42/358758542.db2.gz NFMIIZAHHPQZOI-AWEZNQCLSA-N 1 0 321.377 1.916 20 5 DDBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC000602152956 358851055 /nfs/dbraw/zinc/85/10/55/358851055.db2.gz ZPDFVMAATNBVIR-CQSZACIVSA-N 1 0 305.378 1.938 20 5 DDBDRO CC(C)[C@@H]1C[NH2+]CCN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000602527783 359027481 /nfs/dbraw/zinc/02/74/81/359027481.db2.gz LNCHYLZJVHFNLP-AWEZNQCLSA-N 1 0 321.377 1.820 20 5 DDBDRO C[C@H](CO)[C@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602561258 359046076 /nfs/dbraw/zinc/04/60/76/359046076.db2.gz XKMFLYUTJKKVSN-NEPJUHHUSA-N 1 0 308.382 1.565 20 5 DDBDRO C[NH2+]CCOCCNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000602564135 359046482 /nfs/dbraw/zinc/04/64/82/359046482.db2.gz MECBMWMLVWTVTG-UHFFFAOYSA-N 1 0 313.379 1.039 20 5 DDBDRO C[C@@H](C[NH3+])CNC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000602480645 359005975 /nfs/dbraw/zinc/00/59/75/359005975.db2.gz HYWAQMYMOPVHCE-ZETCQYMHSA-N 1 0 316.155 1.682 20 5 DDBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000602605920 359068789 /nfs/dbraw/zinc/06/87/89/359068789.db2.gz VOIKJPSMOJMMRO-JSGCOSHPSA-N 1 0 304.350 1.360 20 5 DDBDRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000602601244 359064453 /nfs/dbraw/zinc/06/44/53/359064453.db2.gz ZYXGIRRJWULNMT-YPMHNXCESA-N 1 0 318.377 1.757 20 5 DDBDRO C[C@H]1OCC[C@@H]1C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000602837527 359228063 /nfs/dbraw/zinc/22/80/63/359228063.db2.gz ONSKEDOGUJJSSX-CHWSQXEVSA-N 1 0 306.366 1.537 20 5 DDBDRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000237424938 202262976 /nfs/dbraw/zinc/26/29/76/202262976.db2.gz HGZZKPSPUMAGRE-FZMZJTMJSA-N 1 0 307.350 1.702 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCOC2(CCOCC2)CC1 ZINC000602812846 359209782 /nfs/dbraw/zinc/20/97/82/359209782.db2.gz RXGYHTCBJMMWCV-UHFFFAOYSA-N 1 0 324.381 1.371 20 5 DDBDRO Cn1cc(C[NH2+][C@@H]2CCN(C)[C@@H]2c2ccccc2)c([N+](=O)[O-])n1 ZINC000602822939 359217553 /nfs/dbraw/zinc/21/75/53/359217553.db2.gz HJXFEDOHUVNYHR-HUUCEWRRSA-N 1 0 315.377 1.863 20 5 DDBDRO CN(C)C(=O)CCC[NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602962521 359325569 /nfs/dbraw/zinc/32/55/69/359325569.db2.gz LPMYRGKRNDTNIS-HNNXBMFYSA-N 1 0 309.366 1.260 20 5 DDBDRO C[C@](CO)([NH2+]CCO[C@H]1CC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000602962544 359325679 /nfs/dbraw/zinc/32/56/79/359325679.db2.gz MIPVPJHBGMGWDA-QWHCGFSZSA-N 1 0 316.304 1.816 20 5 DDBDRO O=[N+]([O-])c1ccccc1OCCn1cc(C[C@H]2CC[NH2+]C2)nn1 ZINC000603201512 359476570 /nfs/dbraw/zinc/47/65/70/359476570.db2.gz QHWCZVXUUJFSGV-GFCCVEGCSA-N 1 0 317.349 1.417 20 5 DDBDRO C[NH2+]Cc1cn(Cc2cc([N+](=O)[O-])ccc2OC(C)C)nn1 ZINC000603215432 359487692 /nfs/dbraw/zinc/48/76/92/359487692.db2.gz MPGBOPXCQMOLNQ-UHFFFAOYSA-N 1 0 305.338 1.741 20 5 DDBDRO CC1CC[NH+](CCCNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000186795375 200011797 /nfs/dbraw/zinc/01/17/97/200011797.db2.gz XHGMLWAQWVZEKT-UHFFFAOYSA-N 1 0 322.365 1.547 20 5 DDBDRO COC(=O)c1cnc(N[C@H]2C[C@H]([NH+](C)C)C2(C)C)c([N+](=O)[O-])c1 ZINC000603405063 359620917 /nfs/dbraw/zinc/62/09/17/359620917.db2.gz GQMXPRSVWSXKKH-RYUDHWBXSA-N 1 0 322.365 1.917 20 5 DDBDRO COc1cc(C(=O)N[C@@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])cc1OC ZINC000604199914 359725774 /nfs/dbraw/zinc/72/57/74/359725774.db2.gz XEGDMRAUXPPWLA-SNVBAGLBSA-N 1 0 323.349 1.436 20 5 DDBDRO O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCC[NH2+]CC1 ZINC000237875504 202375779 /nfs/dbraw/zinc/37/57/79/202375779.db2.gz LTPUNWDPVILWBA-UHFFFAOYSA-N 1 0 315.333 1.216 20 5 DDBDRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1Cc1ccccc1[N+](=O)[O-] ZINC000189428697 200399638 /nfs/dbraw/zinc/39/96/38/200399638.db2.gz UJGNDYMAHXQACJ-CYBMUJFWSA-N 1 0 307.394 1.872 20 5 DDBDRO CC(C)(C(=O)N1CC[C@H]([NH+]2CCCC2)C1)n1cc([N+](=O)[O-])cn1 ZINC000608905345 360252767 /nfs/dbraw/zinc/25/27/67/360252767.db2.gz FHMQWJYGRXUTKZ-LBPRGKRZSA-N 1 0 321.381 1.223 20 5 DDBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000609833306 360354328 /nfs/dbraw/zinc/35/43/28/360354328.db2.gz GMEIWUODKWVGIA-LBPRGKRZSA-N 1 0 309.370 1.090 20 5 DDBDRO CCCC[N@H+](C)CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000609570172 360326289 /nfs/dbraw/zinc/32/62/89/360326289.db2.gz TZTKMFAAMMYGMR-UHFFFAOYSA-N 1 0 323.349 1.785 20 5 DDBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000609851193 360356505 /nfs/dbraw/zinc/35/65/05/360356505.db2.gz RLRGBDSEGBYRKN-LBPRGKRZSA-N 1 0 309.370 1.172 20 5 DDBDRO Cc1cnc(N2CCC[N@H+](C[C@H]3CCCO3)CC2)c([N+](=O)[O-])c1 ZINC000610489136 360450352 /nfs/dbraw/zinc/45/03/52/360450352.db2.gz FTQYOOWDKKMGBF-CQSZACIVSA-N 1 0 320.393 1.989 20 5 DDBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CCCN(C)C1 ZINC000610804182 360541523 /nfs/dbraw/zinc/54/15/23/360541523.db2.gz MTEFRYQVWIXQFV-GXTWGEPZSA-N 1 0 320.393 1.996 20 5 DDBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CCCN(C)C1 ZINC000610804184 360541647 /nfs/dbraw/zinc/54/16/47/360541647.db2.gz MTEFRYQVWIXQFV-OCCSQVGLSA-N 1 0 320.393 1.996 20 5 DDBDRO CC[N@@H+]1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000611088144 360619870 /nfs/dbraw/zinc/61/98/70/360619870.db2.gz FKWWNQUYKBKUQE-LBPRGKRZSA-N 1 0 307.350 1.526 20 5 DDBDRO CC[N@@H+]1CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000611088221 360620050 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1.447 20 5 DDBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000195137285 201345484 /nfs/dbraw/zinc/34/54/84/201345484.db2.gz LMSWODUIUNDIGW-LLVKDONJSA-N 1 0 306.366 1.781 20 5 DDBDRO O=C1C[C@@]2(CC[N@@H+](C/C=C\c3ccccc3[N+](=O)[O-])C2)CN1 ZINC000619077474 363888009 /nfs/dbraw/zinc/88/80/09/363888009.db2.gz HKOHEUFVBHZWMF-IMMZDGJCSA-N 1 0 301.346 1.820 20 5 DDBDRO O=C(COc1cccc([N+](=O)[O-])c1)NCC12CCC[NH+]1CCC2 ZINC000619574050 364067988 /nfs/dbraw/zinc/06/79/88/364067988.db2.gz LZIRONNTBCRNKP-UHFFFAOYSA-N 1 0 319.361 1.718 20 5 DDBDRO CCc1ccc(S(=O)(=O)N(C)[C@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000566215590 304130558 /nfs/dbraw/zinc/13/05/58/304130558.db2.gz BYBNNPSLWCVQKJ-SECBINFHSA-N 1 0 301.368 1.125 20 5 DDBDRO C[C@@H]1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)[C@H](C[NH3+])C1 ZINC000261904283 203149326 /nfs/dbraw/zinc/14/93/26/203149326.db2.gz WPVRTCWQWZSVGM-YPMHNXCESA-N 1 0 307.350 1.559 20 5 DDBDRO COCC1(CNC(=O)c2cccc([N+](=O)[O-])c2C)CC[NH2+]CC1 ZINC000261960696 203162176 /nfs/dbraw/zinc/16/21/76/203162176.db2.gz XPTRZZKWVNTYJS-UHFFFAOYSA-N 1 0 321.377 1.649 20 5 DDBDRO [NH3+][C@H](C(=O)NCCc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000261996161 203170871 /nfs/dbraw/zinc/17/08/71/203170871.db2.gz NDNMIWFVNWVFHL-AWEZNQCLSA-N 1 0 307.350 1.007 20 5 DDBDRO [NH3+]CC1(C(=O)NCCc2ccccc2[N+](=O)[O-])CCOCC1 ZINC000262131081 203206763 /nfs/dbraw/zinc/20/67/63/203206763.db2.gz GLVKRMFJGDPYBX-UHFFFAOYSA-N 1 0 307.350 1.009 20 5 DDBDRO COc1cc(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000262555916 203328934 /nfs/dbraw/zinc/32/89/34/203328934.db2.gz UFGUTOWYSAHHTR-RYUDHWBXSA-N 1 0 305.334 1.285 20 5 DDBDRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000262563748 203331552 /nfs/dbraw/zinc/33/15/52/203331552.db2.gz BDRRWEQDYGBHEO-NEPJUHHUSA-N 1 0 307.350 1.559 20 5 DDBDRO CCCc1n[nH]c(C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)c1[N+](=O)[O-] ZINC000262612957 203350524 /nfs/dbraw/zinc/35/05/24/203350524.db2.gz WSQFEDKQRBNNHJ-ZJUUUORDSA-N 1 0 307.354 1.237 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)CC(C)(C)C[NH3+] ZINC000093873793 193322272 /nfs/dbraw/zinc/32/22/72/193322272.db2.gz GAASKCAVIHQDHD-UHFFFAOYSA-N 1 0 315.395 1.509 20 5 DDBDRO CCc1n[nH]c(C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)c1[N+](=O)[O-] ZINC000264580224 204008341 /nfs/dbraw/zinc/00/83/41/204008341.db2.gz CHNPREUXKLHVAF-NSHDSACASA-N 1 0 321.381 1.581 20 5 DDBDRO C[N@@H+]1CC[C@@H](CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000264653334 204054200 /nfs/dbraw/zinc/05/42/00/204054200.db2.gz HEXIWQKRJFSOPJ-JTQLQIEISA-N 1 0 302.334 1.758 20 5 DDBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000264659586 204061532 /nfs/dbraw/zinc/06/15/32/204061532.db2.gz HLHFJNMWUKSGQV-CQSZACIVSA-N 1 0 321.377 1.964 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C)Cn1cccn1 ZINC000265027650 204351925 /nfs/dbraw/zinc/35/19/25/204351925.db2.gz FWOFQUPWCSRDOK-GFCCVEGCSA-N 1 0 317.349 1.717 20 5 DDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000351490743 284340378 /nfs/dbraw/zinc/34/03/78/284340378.db2.gz IYVLQRUCTZDQHG-FDRIWYBQSA-N 1 0 318.377 1.591 20 5 DDBDRO CN(C(=O)C[NH2+][C@@H]1CCC[C@@]1(C)CO)c1ccc([N+](=O)[O-])cc1 ZINC000351520807 284359409 /nfs/dbraw/zinc/35/94/09/284359409.db2.gz YLIBFNZHBSDXDG-ZBFHGGJFSA-N 1 0 321.377 1.698 20 5 DDBDRO Cc1[nH]nc(C(=O)Nc2nc3c(s2)C[C@@H]([NH3+])CC3)c1[N+](=O)[O-] ZINC000288517546 220193485 /nfs/dbraw/zinc/19/34/85/220193485.db2.gz CKUBIJKFHOUOCJ-LURJTMIESA-N 1 0 322.350 1.151 20 5 DDBDRO Cc1cc(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c(N)c([N+](=O)[O-])c1 ZINC000267365960 206014451 /nfs/dbraw/zinc/01/44/51/206014451.db2.gz XHZBLBNREQWVGU-STQMWFEESA-N 1 0 318.377 1.842 20 5 DDBDRO COCCOCCOCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000274467916 211639702 /nfs/dbraw/zinc/63/97/02/211639702.db2.gz YRGYPVKJQANCCQ-UHFFFAOYSA-N 1 0 312.366 1.754 20 5 DDBDRO Cc1cc(C(=O)N2CC[NH+](CC3CC3)CC2)c(N)c([N+](=O)[O-])c1 ZINC000104856000 194047968 /nfs/dbraw/zinc/04/79/68/194047968.db2.gz ALVUSTIJRVCOKZ-UHFFFAOYSA-N 1 0 318.377 1.653 20 5 DDBDRO C[C@@H]([NH2+][C@@H](C)c1cn[nH]c1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000273928449 211184024 /nfs/dbraw/zinc/18/40/24/211184024.db2.gz CCHSIIIGWXORJL-VHSXEESVSA-N 1 0 303.322 1.996 20 5 DDBDRO NC(=O)c1ccc(C[N@@H+]2CCC[C@H]2[C@@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000284795943 218180967 /nfs/dbraw/zinc/18/09/67/218180967.db2.gz OGZBJKJROSBOJF-ZFWWWQNUSA-N 1 0 319.361 1.837 20 5 DDBDRO COC(=O)[C@]12C[N@H+](CCn3cc([N+](=O)[O-])cn3)C[C@H]1CCCC2 ZINC000284910328 218232099 /nfs/dbraw/zinc/23/20/99/218232099.db2.gz VFFCMHPWHLJAEK-IUODEOHRSA-N 1 0 322.365 1.457 20 5 DDBDRO CCOc1ccccc1C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000579582374 422795668 /nfs/dbraw/zinc/79/56/68/422795668.db2.gz XURBOFMKBRHCDG-CQSZACIVSA-N 1 0 320.349 1.341 20 5 DDBDRO CC(=O)N1CCN(CC[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000268845954 207012031 /nfs/dbraw/zinc/01/20/31/207012031.db2.gz VHRPFSFPFRKUTL-ZDUSSCGKSA-N 1 0 320.393 1.410 20 5 DDBDRO O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000158294968 197260356 /nfs/dbraw/zinc/26/03/56/197260356.db2.gz JPGIZBSLGMEJLA-AWEZNQCLSA-N 1 0 320.305 1.329 20 5 DDBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000066190713 184395724 /nfs/dbraw/zinc/39/57/24/184395724.db2.gz UTSNNXHARBNPSV-HNNXBMFYSA-N 1 0 318.377 1.975 20 5 DDBDRO [NH3+]CC[C@@H]1CCCCN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000286178303 218832121 /nfs/dbraw/zinc/83/21/21/218832121.db2.gz RHAUJBMMRDNHRY-LBPRGKRZSA-N 1 0 307.350 1.704 20 5 DDBDRO CC[N@@H+]1CCCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000272964682 210349762 /nfs/dbraw/zinc/34/97/62/210349762.db2.gz UBHVTBYMRUXXHE-AWEZNQCLSA-N 1 0 323.393 1.362 20 5 DDBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])[C@@H]1CCN(C2CC2)C1=O ZINC000352551221 285134145 /nfs/dbraw/zinc/13/41/45/285134145.db2.gz WQEFYBODKWBOCY-OAHLLOKOSA-N 1 0 303.362 1.832 20 5 DDBDRO C[NH+](C)CCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000120308399 195139951 /nfs/dbraw/zinc/13/99/51/195139951.db2.gz KSVZMIUACWFSRM-UHFFFAOYSA-N 1 0 306.366 1.486 20 5 DDBDRO O=[N+]([O-])c1cccnc1N1CC[NH+](CC[C@@H]2CCCO2)CC1 ZINC000298048491 285165865 /nfs/dbraw/zinc/16/58/65/285165865.db2.gz IGIASHQNKUIFPY-ZDUSSCGKSA-N 1 0 306.366 1.681 20 5 DDBDRO C[N@H+](C[C@@H](O)CN1CCOc2ccc([N+](=O)[O-])cc2C1)C1CC1 ZINC000352708228 285244458 /nfs/dbraw/zinc/24/44/58/285244458.db2.gz FOKFKODTDXQGEJ-OAHLLOKOSA-N 1 0 321.377 1.244 20 5 DDBDRO Cc1cc(C(=O)NCCC[C@@H]2CCC[NH2+]2)c(N)c([N+](=O)[O-])c1 ZINC000294808567 224234557 /nfs/dbraw/zinc/23/45/57/224234557.db2.gz JFJWKVQHUMDMBL-NSHDSACASA-N 1 0 306.366 1.747 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[NH2+][C@H](C)[C@@H]1C ZINC000417186414 533221243 /nfs/dbraw/zinc/22/12/43/533221243.db2.gz SXMWDSSIJROIAW-MNOVXSKESA-N 1 0 322.365 1.495 20 5 DDBDRO Cc1n[nH]c(C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)c1[N+](=O)[O-] ZINC000289855702 221271409 /nfs/dbraw/zinc/27/14/09/221271409.db2.gz CKBJNBZRDIELAQ-NSHDSACASA-N 1 0 307.354 1.088 20 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ZINC000072044680 406872684 /nfs/dbraw/zinc/87/26/84/406872684.db2.gz HRRSCRZAABYUGE-ZDUSSCGKSA-N 1 0 307.350 1.431 20 5 DDBDRO C[NH+](C)C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000073842281 406895708 /nfs/dbraw/zinc/89/57/08/406895708.db2.gz DXVBSJDCMQQAPA-UHFFFAOYSA-N 1 0 313.379 1.310 20 5 DDBDRO CC[NH+]1CCN(CC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000076425107 406967866 /nfs/dbraw/zinc/96/78/66/406967866.db2.gz AHLYSXXTWKWDJN-ZDUSSCGKSA-N 1 0 320.393 1.410 20 5 DDBDRO CC[NH+](CC)CCCNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000075539508 406934837 /nfs/dbraw/zinc/93/48/37/406934837.db2.gz OJUIEVLIZVYEJS-UHFFFAOYSA-N 1 0 309.366 1.822 20 5 DDBDRO CC(C)[NH+]1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000078345058 407025660 /nfs/dbraw/zinc/02/56/60/407025660.db2.gz XFCKMYWTZDZCNA-UHFFFAOYSA-N 1 0 320.393 1.949 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000046859977 407064714 /nfs/dbraw/zinc/06/47/14/407064714.db2.gz LXXZMRROCPLQCD-NSHDSACASA-N 1 0 306.366 1.902 20 5 DDBDRO CC(=O)NC1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000050989834 407132974 /nfs/dbraw/zinc/13/29/74/407132974.db2.gz RDASSERLRAEJTD-UHFFFAOYSA-N 1 0 307.350 1.574 20 5 DDBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000055389448 407202161 /nfs/dbraw/zinc/20/21/61/407202161.db2.gz WMMAKOZLIJRFSL-BETUJISGSA-N 1 0 323.397 1.276 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)NCC(C)(C)C[NH+](C)C)c1 ZINC000067297119 407270379 /nfs/dbraw/zinc/27/03/79/407270379.db2.gz BCUCLXHPBIFMAF-UHFFFAOYSA-N 1 0 309.366 1.921 20 5 DDBDRO CC[N@@H+]1CCCC[C@H]1C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000067706305 407280691 /nfs/dbraw/zinc/28/06/91/407280691.db2.gz RWKHBHNAMKGTMN-HNNXBMFYSA-N 1 0 320.393 1.997 20 5 DDBDRO COC[C@H](O)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000127217050 407431161 /nfs/dbraw/zinc/43/11/61/407431161.db2.gz HMGCLXLHKMBGSU-CYBMUJFWSA-N 1 0 310.350 1.445 20 5 DDBDRO COC(=O)c1cc(NC(=O)[C@@]2(C)CC[NH2+]C2)cc([N+](=O)[O-])c1 ZINC000151713954 407483131 /nfs/dbraw/zinc/48/31/31/407483131.db2.gz DAVXYNLDYBRWGP-AWEZNQCLSA-N 1 0 307.306 1.320 20 5 DDBDRO COC1(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000151461400 407440336 /nfs/dbraw/zinc/44/03/36/407440336.db2.gz ZJMCPKUNWIAQPJ-NSHDSACASA-N 1 0 307.350 1.541 20 5 DDBDRO O=C(NC[C@H]1CCC[NH2+]1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000178758557 407587937 /nfs/dbraw/zinc/58/79/37/407587937.db2.gz JAJRYWSZWLRXHH-LLVKDONJSA-N 1 0 315.333 1.262 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170873783 407540607 /nfs/dbraw/zinc/54/06/07/407540607.db2.gz MXRDENORYNRMKN-LBPRGKRZSA-N 1 0 313.379 1.228 20 5 DDBDRO C[NH2+][C@H]1CCCN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000261739373 407598315 /nfs/dbraw/zinc/59/83/15/407598315.db2.gz KJUGFDBHYYXLRP-YPMHNXCESA-N 1 0 306.366 1.606 20 5 DDBDRO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCOC1 ZINC000178781996 407601358 /nfs/dbraw/zinc/60/13/58/407601358.db2.gz ZHZVPFKRNLABBK-LBPRGKRZSA-N 1 0 307.350 1.892 20 5 DDBDRO COCCC[NH+]1CCC(NC(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000171125923 407603960 /nfs/dbraw/zinc/60/39/60/407603960.db2.gz GFOZORVBUWJGDQ-UHFFFAOYSA-N 1 0 321.377 1.826 20 5 DDBDRO [NH3+]CCN(CCc1ccccc1)CCn1cc([N+](=O)[O-])cn1 ZINC000261773433 407610472 /nfs/dbraw/zinc/61/04/72/407610472.db2.gz OHGAXWOAWNPWOP-UHFFFAOYSA-N 1 0 303.366 1.295 20 5 DDBDRO C[C@H]([NH3+])[C@@H]1CCCN(CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000261850755 407640140 /nfs/dbraw/zinc/64/01/40/407640140.db2.gz DLJGIGAKBCLUHQ-NWDGAFQWSA-N 1 0 306.366 1.593 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@@H]2OCCN(C)[C@H]2C1 ZINC000152949621 407722215 /nfs/dbraw/zinc/72/22/15/407722215.db2.gz HEEIWRLBZOCLHE-KBPBESRZSA-N 1 0 305.334 1.058 20 5 DDBDRO CC(C)[C@H]([NH3+])CCN(C)C(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000236615225 407732083 /nfs/dbraw/zinc/73/20/83/407732083.db2.gz VBDMVRGAJASKJA-LLVKDONJSA-N 1 0 312.345 1.762 20 5 DDBDRO C[NH+](C)C[C@H]1CN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CCO1 ZINC000116788445 407777882 /nfs/dbraw/zinc/77/78/82/407777882.db2.gz YTVLYEUKMLPIJE-NPQIQWPPSA-N 1 0 319.361 1.397 20 5 DDBDRO COc1ccc(NC(=O)COC2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000262358048 407810016 /nfs/dbraw/zinc/81/00/16/407810016.db2.gz WAXJJMWDQIPXFW-UHFFFAOYSA-N 1 0 309.322 1.311 20 5 DDBDRO COc1ccc(C(=O)N(C)[C@@H]2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000262526143 407855522 /nfs/dbraw/zinc/85/55/22/407855522.db2.gz OWAZJKKXAIPTRK-GFCCVEGCSA-N 1 0 307.350 1.818 20 5 DDBDRO O=C(CCc1cccc([N+](=O)[O-])c1)NCC[NH+]1CCSCC1 ZINC000268056316 407871764 /nfs/dbraw/zinc/87/17/64/407871764.db2.gz SVBMPQBQNUELHR-UHFFFAOYSA-N 1 0 323.418 1.692 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000118107030 407891047 /nfs/dbraw/zinc/89/10/47/407891047.db2.gz KIBXOIJXNGMCCE-LBPRGKRZSA-N 1 0 320.349 1.052 20 5 DDBDRO O=C(NCC[NH2+]C1CC1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000238108743 407891106 /nfs/dbraw/zinc/89/11/06/407891106.db2.gz QGUHJZFIDRLWIU-UHFFFAOYSA-N 1 0 304.350 1.651 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000153847617 407918109 /nfs/dbraw/zinc/91/81/09/407918109.db2.gz XWPOYHIRXDBXNN-GFCCVEGCSA-N 1 0 309.370 1.042 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)Cc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000272441349 407922821 /nfs/dbraw/zinc/92/28/21/407922821.db2.gz INGPOMKBVCEFHH-IUODEOHRSA-N 1 0 303.362 1.690 20 5 DDBDRO NC(=O)c1ccc(C[NH+]2CCC(CCCO)CC2)c([N+](=O)[O-])c1 ZINC000273057857 408037550 /nfs/dbraw/zinc/03/75/50/408037550.db2.gz ZMZZVZLZCUDSMM-UHFFFAOYSA-N 1 0 321.377 1.678 20 5 DDBDRO CN(C)C[C@H](O)C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000154254311 408002527 /nfs/dbraw/zinc/00/25/27/408002527.db2.gz GSVGOAPKFCQTPI-CABCVRRESA-N 1 0 307.394 1.428 20 5 DDBDRO C[C@H](CNC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)[NH+](C)C ZINC000272952920 408017611 /nfs/dbraw/zinc/01/76/11/408017611.db2.gz GNPQYVYEJOCMMC-YGRLFVJLSA-N 1 0 320.349 1.154 20 5 DDBDRO CNC(=O)CCC[N@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000154669993 408069862 /nfs/dbraw/zinc/06/98/62/408069862.db2.gz VQUQRZWHMGLDAO-UHFFFAOYSA-N 1 0 322.365 1.016 20 5 DDBDRO C[C@H](CCNc1ncc([N+](=O)[O-])cc1C(N)=O)[NH+]1CCCCC1 ZINC000273151147 408083928 /nfs/dbraw/zinc/08/39/28/408083928.db2.gz LXCCASAOKAVIHK-LLVKDONJSA-N 1 0 321.381 1.765 20 5 DDBDRO C[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1cnn(C)c1 ZINC000273425649 408193087 /nfs/dbraw/zinc/19/30/87/408193087.db2.gz WKXCVILJHWMMLV-AAEUAGOBSA-N 1 0 320.349 1.419 20 5 DDBDRO C[C@H]1CN(CCc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1CC(C)(C)O ZINC000189899960 408133105 /nfs/dbraw/zinc/13/31/05/408133105.db2.gz WGMFJVXYLFZBGQ-AWEZNQCLSA-N 1 0 321.421 1.914 20 5 DDBDRO Cn1cccc1[C@H]1CCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000175492957 408145208 /nfs/dbraw/zinc/14/52/08/408145208.db2.gz AKJYTKNBPAHZKU-DZGCQCFKSA-N 1 0 319.365 1.328 20 5 DDBDRO Cc1ccc([C@@H](C)[NH2+]CCCNS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000121192533 408159782 /nfs/dbraw/zinc/15/97/82/408159782.db2.gz WVEVOTYUKPFAQV-LLVKDONJSA-N 1 0 315.395 1.493 20 5 DDBDRO CN(CC1([NH+](C)C)CCC1)C(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000190149607 408175682 /nfs/dbraw/zinc/17/56/82/408175682.db2.gz WOOOACXLPCTNRM-UHFFFAOYSA-N 1 0 308.338 1.252 20 5 DDBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000246206941 408176863 /nfs/dbraw/zinc/17/68/63/408176863.db2.gz AARMECHHBSQGDS-WFASDCNBSA-N 1 0 318.377 1.702 20 5 DDBDRO CCO[C@H]1C[C@H](O)C12CC[NH+](CCn1ccc([N+](=O)[O-])n1)CC2 ZINC000176261573 408327084 /nfs/dbraw/zinc/32/70/84/408327084.db2.gz WYFSTDWVBFYQJL-STQMWFEESA-N 1 0 324.381 1.043 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)NCCC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000269332849 408270204 /nfs/dbraw/zinc/27/02/04/408270204.db2.gz MZTLBYGPQUTJPI-UHFFFAOYSA-N 1 0 309.370 1.657 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)N2CC[C@@H](C[NH+](C)C)C2)c1[N+](=O)[O-] ZINC000269330260 408270720 /nfs/dbraw/zinc/27/07/20/408270720.db2.gz FDVMAKAWNRDTRE-JTQLQIEISA-N 1 0 309.370 1.465 20 5 DDBDRO C[N@@H+]1CCCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000122310225 408280966 /nfs/dbraw/zinc/28/09/66/408280966.db2.gz OCEJLZKPTGEVSW-UHFFFAOYSA-N 1 0 316.361 1.783 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)N2CCC[N@@H+](C(C)C)CC2)c1[N+](=O)[O-] ZINC000269377380 408289257 /nfs/dbraw/zinc/28/92/57/408289257.db2.gz IKPVRSMUPILYLO-UHFFFAOYSA-N 1 0 323.397 1.998 20 5 DDBDRO COC(=O)[C@@H](O)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000135363758 162101248 /nfs/dbraw/zinc/10/12/48/162101248.db2.gz DRXGBNNSOGIQMW-AWEZNQCLSA-N 1 0 308.334 1.341 20 5 DDBDRO CC[C@H]1CN(c2nc(C)ccc2[N+](=O)[O-])CC[N@@H+]1C[C@H](C)O ZINC000246853633 408352884 /nfs/dbraw/zinc/35/28/84/408352884.db2.gz BQBKKBGKQQEUEE-STQMWFEESA-N 1 0 308.382 1.580 20 5 DDBDRO COc1cc(CN(C[C@H](C)O)[C@@H](C)CO)c([N+](=O)[O-])cc1F ZINC000190936071 408343313 /nfs/dbraw/zinc/34/33/13/408343313.db2.gz HUHFHAIQEAUHPR-UWVGGRQHSA-N 1 0 316.329 1.306 20 5 DDBDRO CCC[NH+]1CCC(CNC(=O)c2c([N+](=O)[O-])cnn2C)CC1 ZINC000165642528 162161669 /nfs/dbraw/zinc/16/16/69/162161669.db2.gz LSKYJJQBAYRGTP-UHFFFAOYSA-N 1 0 309.370 1.180 20 5 DDBDRO O=C(COc1cccc([N+](=O)[O-])c1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000171441908 162217716 /nfs/dbraw/zinc/21/77/16/162217716.db2.gz QQRWRKHDFDPVQT-AWEZNQCLSA-N 1 0 319.361 1.670 20 5 DDBDRO Cc1ccc([C@H]2CN(CCn3ccc([N+](=O)[O-])n3)CCO2)o1 ZINC000159120016 408383834 /nfs/dbraw/zinc/38/38/34/408383834.db2.gz KWITVAQQYHKYRJ-CYBMUJFWSA-N 1 0 306.322 1.766 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)[C@@H](C[NH3+])C1CC1 ZINC000159968625 408450441 /nfs/dbraw/zinc/45/04/41/408450441.db2.gz GRRFSUQENXXXJZ-LBPRGKRZSA-N 1 0 313.379 1.261 20 5 DDBDRO C[C@@H]1CC(O)C[C@@H](C)[NH+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000191282805 408398509 /nfs/dbraw/zinc/39/85/09/408398509.db2.gz AIDGIAZWFVAULW-NXEZZACHSA-N 1 0 307.350 1.427 20 5 DDBDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000264411348 408479546 /nfs/dbraw/zinc/47/95/46/408479546.db2.gz HYLDGYPBYYNHRL-SNVBAGLBSA-N 1 0 312.395 1.022 20 5 DDBDRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000176989627 408491018 /nfs/dbraw/zinc/49/10/18/408491018.db2.gz QMPVBLWYBQFYSK-ZYHUDNBSSA-N 1 0 304.350 1.486 20 5 DDBDRO Cc1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c(N)c([N+](=O)[O-])c1 ZINC000177007219 408495214 /nfs/dbraw/zinc/49/52/14/408495214.db2.gz KDVJCBOFNGHVND-NEPJUHHUSA-N 1 0 318.377 1.794 20 5 DDBDRO COc1cc(C(=O)NC[C@@H]2CCC[N@@H+]2C)cc([N+](=O)[O-])c1C ZINC000191714652 408475025 /nfs/dbraw/zinc/47/50/25/408475025.db2.gz AKFODJPOTGAIND-LBPRGKRZSA-N 1 0 307.350 1.736 20 5 DDBDRO CC[C@@H]1CN(c2nccc(C)c2[N+](=O)[O-])CC[N@@H+]1C[C@H](C)O ZINC000265193137 408576356 /nfs/dbraw/zinc/57/63/56/408576356.db2.gz LHWXDKDBNPZDAD-QWHCGFSZSA-N 1 0 308.382 1.580 20 5 DDBDRO C[C@H](O)C[NH+]1CCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000274984755 408576738 /nfs/dbraw/zinc/57/67/38/408576738.db2.gz CIJXRSIVSUPKLH-LBPRGKRZSA-N 1 0 316.361 1.646 20 5 DDBDRO C[C@@H]1CC(O)C[C@@H](C)[NH+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248697405 408617243 /nfs/dbraw/zinc/61/72/43/408617243.db2.gz ARTFGOJESFOSBV-YRGRVCCFSA-N 1 0 324.377 1.568 20 5 DDBDRO Cc1ccc(NC(=O)C(=O)NCC[N@@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000265363254 408624581 /nfs/dbraw/zinc/62/45/81/408624581.db2.gz FWQNUANYAIAJNI-UHFFFAOYSA-N 1 0 320.349 1.052 20 5 DDBDRO O=C(NCCC[NH+]1CCCCC1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000192737434 408639647 /nfs/dbraw/zinc/63/96/47/408639647.db2.gz WGPWHVVJXNNMMJ-UHFFFAOYSA-N 1 0 308.338 1.301 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCC1([NH+](C)C)CCC1 ZINC000275697674 408649419 /nfs/dbraw/zinc/64/94/19/408649419.db2.gz BGAJOIKWKIBNEC-UHFFFAOYSA-N 1 0 309.370 1.090 20 5 DDBDRO CCc1n[nH]c(C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c1[N+](=O)[O-] ZINC000192792459 408650641 /nfs/dbraw/zinc/65/06/41/408650641.db2.gz YKVWBMOXBAESOJ-ZYHUDNBSSA-N 1 0 321.381 1.437 20 5 DDBDRO COC[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(C)o1 ZINC000184641333 408659324 /nfs/dbraw/zinc/65/93/24/408659324.db2.gz PXIJZLONADHUBA-QWHCGFSZSA-N 1 0 324.337 1.031 20 5 DDBDRO C[C@@H]1CCC[C@@](CNC(=O)c2nn(C)cc2[N+](=O)[O-])([NH+](C)C)C1 ZINC000270740474 408660278 /nfs/dbraw/zinc/66/02/78/408660278.db2.gz GADWZSZLFYXBCN-IAQYHMDHSA-N 1 0 323.397 1.569 20 5 DDBDRO C[C@@H]1[C@@H](C)[S@@](=O)CCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000265658485 408733925 /nfs/dbraw/zinc/73/39/25/408733925.db2.gz WTMFKTKUHAYWBB-ZSMADZGOSA-N 1 0 312.391 1.815 20 5 DDBDRO COc1cc(CCNC(=O)[C@@H]2CCC[NH2+]2)c([N+](=O)[O-])cc1OC ZINC000177946004 408742143 /nfs/dbraw/zinc/74/21/43/408742143.db2.gz WTJCMQGWJREZIF-NSHDSACASA-N 1 0 323.349 1.023 20 5 DDBDRO C[C@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@H]1C[NH3+] ZINC000252119181 408791804 /nfs/dbraw/zinc/79/18/04/408791804.db2.gz JBBCRFAJZKKPPQ-GWCFXTLKSA-N 1 0 313.379 1.343 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@H](C)C[N@H+](C)C(C)C)n1 ZINC000290807509 408836690 /nfs/dbraw/zinc/83/66/90/408836690.db2.gz ZGKWMCHXTPVKBW-SNVBAGLBSA-N 1 0 310.354 1.917 20 5 DDBDRO C[N@@H+]1CC[C@@H](Cn2cc(Br)cc([N+](=O)[O-])c2=O)C1 ZINC000191193520 163176137 /nfs/dbraw/zinc/17/61/37/163176137.db2.gz PKSCBKDNUOYIBF-MRVPVSSYSA-N 1 0 316.155 1.471 20 5 DDBDRO COc1cc(C(=O)N2CC[NH2+][C@H](C)[C@H]2C)cc([N+](=O)[O-])c1OC ZINC000277434350 408940139 /nfs/dbraw/zinc/94/01/39/408940139.db2.gz CULVNWUKXWCPQP-NXEZZACHSA-N 1 0 323.349 1.434 20 5 DDBDRO CN(CCC[NH+]1CCCC1)c1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000281806899 408932739 /nfs/dbraw/zinc/93/27/39/408932739.db2.gz IZNKZKNLOZVXSD-UHFFFAOYSA-N 1 0 306.366 1.616 20 5 DDBDRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000291983553 408956613 /nfs/dbraw/zinc/95/66/13/408956613.db2.gz TZXKCFJVOHCXCO-SECBINFHSA-N 1 0 312.345 1.775 20 5 DDBDRO CC[N@@H+]1CCN(c2ccc(C(=O)NC)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000286319419 408963023 /nfs/dbraw/zinc/96/30/23/408963023.db2.gz KVCZYQYXKRHEBW-NSHDSACASA-N 1 0 306.366 1.485 20 5 DDBDRO C[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCC[C@H]1O ZINC000286338824 408966688 /nfs/dbraw/zinc/96/66/88/408966688.db2.gz FAMUJIGAQJNBMP-OUCADQQQSA-N 1 0 310.350 1.180 20 5 DDBDRO C[N@@H+]1CC[C@]2(CCN(C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)C1 ZINC000292078769 408975891 /nfs/dbraw/zinc/97/58/91/408975891.db2.gz FLJCKMZLTQYALI-CVEARBPZSA-N 1 0 305.378 1.656 20 5 DDBDRO O=c1cc(C[NH+]2C[C@H](O)[C@@H](O)C2)c2c(ccc3ccccc32)o1 ZINC000278954129 409120747 /nfs/dbraw/zinc/12/07/47/409120747.db2.gz ZAOXYUDFPXFJJS-GJZGRUSLSA-N 1 0 311.337 1.484 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@H]2CCC[C@@H]2CCO)c1 ZINC000279272347 409182834 /nfs/dbraw/zinc/18/28/34/409182834.db2.gz NNGDVCIWFHJFAU-XPKDYRNWSA-N 1 0 324.377 1.475 20 5 DDBDRO Cc1nn(C)c(C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)c1[N+](=O)[O-] ZINC000289298992 409244739 /nfs/dbraw/zinc/24/47/39/409244739.db2.gz RWLCWYVTLGHXSC-XYPYZODXSA-N 1 0 309.370 1.132 20 5 DDBDRO Cc1nn(C)c(C)c1CN(CC[NH3+])c1ccccc1[N+](=O)[O-] ZINC000289376743 409257418 /nfs/dbraw/zinc/25/74/18/409257418.db2.gz BIKTWEOIOQUKAS-UHFFFAOYSA-N 1 0 303.366 1.910 20 5 DDBDRO Nc1c(C(=O)NCC[N@H+]2CC=CCC2)cc(F)cc1[N+](=O)[O-] ZINC000280284461 409285054 /nfs/dbraw/zinc/28/50/54/409285054.db2.gz QPSMPYUETTWAFS-UHFFFAOYSA-N 1 0 308.313 1.308 20 5 DDBDRO C[C@@H]1OCC[C@]12CN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)CCO2 ZINC000280337175 409294805 /nfs/dbraw/zinc/29/48/05/409294805.db2.gz HNWBZZUDHJAJQV-MAZHCROVSA-N 1 0 322.361 1.508 20 5 DDBDRO Cc1ccc(C[NH2+]C[C@@H]2CCCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000290150702 409310267 /nfs/dbraw/zinc/31/02/67/409310267.db2.gz OVTNQOGCHHAHMJ-ZDUSSCGKSA-N 1 0 312.391 1.818 20 5 DDBDRO CC[NH2+][C@H](C)CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000262470935 163834464 /nfs/dbraw/zinc/83/44/64/163834464.db2.gz OUJIIUVUQRMBKM-GFCCVEGCSA-N 1 0 320.393 1.923 20 5 DDBDRO Cc1cc(C(=O)N[C@@H]2CCC[N@H+](CCCO)C2)cc([N+](=O)[O-])c1 ZINC000295513627 409324417 /nfs/dbraw/zinc/32/44/17/409324417.db2.gz QBCJWILVTCOWCH-CQSZACIVSA-N 1 0 321.377 1.480 20 5 DDBDRO COc1cc(C(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000262533516 163845627 /nfs/dbraw/zinc/84/56/27/163845627.db2.gz PZLCNJSQVOOCSM-JQWIXIFHSA-N 1 0 307.350 1.660 20 5 DDBDRO NC(=O)c1ccnc(N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000290448217 409406242 /nfs/dbraw/zinc/40/62/42/409406242.db2.gz CWCJKQDCJIMTLG-QWRGUYRKSA-N 1 0 305.338 1.127 20 5 DDBDRO COc1cc(C[N@@H+]2CC[C@](C)(C(N)=O)C2)c([N+](=O)[O-])cc1F ZINC000280742451 409434674 /nfs/dbraw/zinc/43/46/74/409434674.db2.gz MNIBEGQIPAMNMA-AWEZNQCLSA-N 1 0 311.313 1.440 20 5 DDBDRO Cc1ccc(C(=O)N[C@H]2CCC[N@H+](CCCO)C2)cc1[N+](=O)[O-] ZINC000295405316 409467621 /nfs/dbraw/zinc/46/76/21/409467621.db2.gz IXZOTRPIHRPHHK-AWEZNQCLSA-N 1 0 321.377 1.480 20 5 DDBDRO COc1cccc([C@H](C)[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000321784102 164045414 /nfs/dbraw/zinc/04/54/14/164045414.db2.gz IWVYPYURAVWQPT-FZMZJTMJSA-N 1 0 320.349 1.512 20 5 DDBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CC[C@H](CO)O2)c(Cl)c1 ZINC000353700600 164124171 /nfs/dbraw/zinc/12/41/71/164124171.db2.gz DGZXQHRNIHHWQU-NWDGAFQWSA-N 1 0 300.742 1.878 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000408050318 164209233 /nfs/dbraw/zinc/20/92/33/164209233.db2.gz CXQOYOBUYFKWAK-GFCCVEGCSA-N 1 0 321.381 1.132 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C)[C@H](C(C)C)C1 ZINC000408356037 164305940 /nfs/dbraw/zinc/30/59/40/164305940.db2.gz CILDJYWDWGQISW-AWEZNQCLSA-N 1 0 306.366 1.710 20 5 DDBDRO COc1ccc(C[N@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000304323874 409605436 /nfs/dbraw/zinc/60/54/36/409605436.db2.gz MRDVLYVDTHDXKE-CQSZACIVSA-N 1 0 320.349 1.293 20 5 DDBDRO CC(C)(C[NH+]1CCCC1)NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000308678460 409784921 /nfs/dbraw/zinc/78/49/21/409784921.db2.gz SOKPCVRNGCQIIC-UHFFFAOYSA-N 1 0 306.366 1.781 20 5 DDBDRO [NH3+]C[C@H]1CCCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000297277619 409890791 /nfs/dbraw/zinc/89/07/91/409890791.db2.gz BKTWWGHTBFZXKT-LLVKDONJSA-N 1 0 316.361 1.816 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccnn2CC[NH+](C)C)c1 ZINC000297738394 409978356 /nfs/dbraw/zinc/97/83/56/409978356.db2.gz KNOJRZXTJZUOHW-UHFFFAOYSA-N 1 0 317.349 1.914 20 5 DDBDRO C[NH+](C)C[C@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCO1 ZINC000332224785 409991503 /nfs/dbraw/zinc/99/15/03/409991503.db2.gz KIIRULYMIOGALQ-LBPRGKRZSA-N 1 0 319.365 1.234 20 5 DDBDRO O=C(COc1ccccc1[N+](=O)[O-])N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000298476007 410246378 /nfs/dbraw/zinc/24/63/78/410246378.db2.gz DHVZYKURDPKTGB-OLZOCXBDSA-N 1 0 319.361 1.717 20 5 DDBDRO CC[N@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)[C@H](C)CO ZINC000339634915 410348268 /nfs/dbraw/zinc/34/82/68/410348268.db2.gz KMURYAOGYULMAF-LLVKDONJSA-N 1 0 309.366 1.935 20 5 DDBDRO CN(C(=O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000347004970 410306490 /nfs/dbraw/zinc/30/64/90/410306490.db2.gz KQGMVLTXUCCYCW-CQSZACIVSA-N 1 0 319.361 1.669 20 5 DDBDRO C[NH+](C)C(C)(C)CNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000301132319 410664105 /nfs/dbraw/zinc/66/41/05/410664105.db2.gz WMPHPUYGJSLHRB-UHFFFAOYSA-N 1 0 308.338 1.678 20 5 DDBDRO C[C@H](C[NH3+])NC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000347652008 410651851 /nfs/dbraw/zinc/65/18/51/410651851.db2.gz BGEWGCQYXFAYSH-VXGBXAGGSA-N 1 0 320.393 1.908 20 5 DDBDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337310864 410707927 /nfs/dbraw/zinc/70/79/27/410707927.db2.gz BOQVATCONKFUIF-STQMWFEESA-N 1 0 320.393 1.948 20 5 DDBDRO O=C(CC[N@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000337310869 410709269 /nfs/dbraw/zinc/70/92/69/410709269.db2.gz BOZAOEYZSONRPI-ZOWXZIJZSA-N 1 0 319.361 1.626 20 5 DDBDRO CN(C(=O)c1cccc([N+](=O)[O-])c1N)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000355875729 410712741 /nfs/dbraw/zinc/71/27/41/410712741.db2.gz CVXUDNPZHOULKZ-LLVKDONJSA-N 1 0 304.350 1.486 20 5 DDBDRO CCOc1cc(N2CCO[C@H](C[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000301508352 410731303 /nfs/dbraw/zinc/73/13/03/410731303.db2.gz HRNPKHQRAICFMH-CYBMUJFWSA-N 1 0 309.366 1.760 20 5 DDBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])C1(CCO)CCOCC1 ZINC000353052001 410759971 /nfs/dbraw/zinc/75/99/71/410759971.db2.gz XLSODSACPPDQGE-UHFFFAOYSA-N 1 0 324.377 1.837 20 5 DDBDRO C[N@@H+]1CCO[C@@H]2CN(c3ccc([N+](=O)[O-])c4cnccc43)C[C@H]21 ZINC000301682873 410769298 /nfs/dbraw/zinc/76/92/98/410769298.db2.gz VUKRLOGMFPPUQF-HZPDHXFCSA-N 1 0 314.345 1.662 20 5 DDBDRO COC(=O)[C@](C)(O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000343888470 410782402 /nfs/dbraw/zinc/78/24/02/410782402.db2.gz XHMUSFURKHDQQD-OAHLLOKOSA-N 1 0 308.334 1.483 20 5 DDBDRO CCC[NH+]1CCC(CNC(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC000330573657 410788945 /nfs/dbraw/zinc/78/89/45/410788945.db2.gz ZJXILNWZOUHEHD-UHFFFAOYSA-N 1 0 309.370 1.180 20 5 DDBDRO CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000353145039 410811366 /nfs/dbraw/zinc/81/13/66/410811366.db2.gz JHCYICZQIJQXKF-GJZGRUSLSA-N 1 0 320.393 1.757 20 5 DDBDRO CC[NH+](CC)CCOCCNC(=O)c1cccc([N+](=O)[O-])c1C ZINC000348174280 410837492 /nfs/dbraw/zinc/83/74/92/410837492.db2.gz PITXKIGBWWNWFI-UHFFFAOYSA-N 1 0 323.393 1.991 20 5 DDBDRO CCCC[N@H+](C)C[C@H](C)Nc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000341149663 410898099 /nfs/dbraw/zinc/89/80/99/410898099.db2.gz UIZGBRUZJXSNFZ-NSHDSACASA-N 1 0 306.370 2.170 20 5 DDBDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)c3cc([N+](=O)[O-])cnc3N)C2)C1 ZINC000356279247 410941379 /nfs/dbraw/zinc/94/13/79/410941379.db2.gz LJWPDHMAVAXMJQ-HNNXBMFYSA-N 1 0 319.365 1.130 20 5 DDBDRO COCCN1CC[C@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000341203368 410935679 /nfs/dbraw/zinc/93/56/79/410935679.db2.gz CUIMAOXLHDTCTD-VOKGJARPSA-N 1 0 305.378 1.918 20 5 DDBDRO CC(C)(C)[C@H](O)C[C@@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000341282601 410981295 /nfs/dbraw/zinc/98/12/95/410981295.db2.gz XCOJGKRFUKKKQF-SMDDNHRTSA-N 1 0 314.357 1.982 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@@H]1CCC[C@@H]1OC(F)F ZINC000348519902 410994613 /nfs/dbraw/zinc/99/46/13/410994613.db2.gz GPBIHJBUDPGTPY-MNOVXSKESA-N 1 0 317.292 1.506 20 5 DDBDRO COC(=O)c1cc(C)nc(NC[C@H]2CCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000341841961 411070613 /nfs/dbraw/zinc/07/06/13/411070613.db2.gz KOBXYTPCJJNQJE-SNVBAGLBSA-N 1 0 308.338 1.591 20 5 DDBDRO COC1(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000151461471 196684173 /nfs/dbraw/zinc/68/41/73/196684173.db2.gz ZJMCPKUNWIAQPJ-LLVKDONJSA-N 1 0 307.350 1.541 20 5 DDBDRO CC1(C)C[C@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C(C)(C)O1 ZINC000132617953 196270695 /nfs/dbraw/zinc/27/06/95/196270695.db2.gz ZQMSTLSGPYAFRJ-NEPJUHHUSA-N 1 0 312.370 1.088 20 5 DDBDRO C[NH+](C)C[C@@](C)(O)CNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000133071427 196309137 /nfs/dbraw/zinc/30/91/37/196309137.db2.gz AMZHGGPKLLTCED-HNNXBMFYSA-N 1 0 304.350 1.868 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1CN1C[C@@H](C)[N@H+](CCO)C[C@H]1C ZINC000419350877 226127501 /nfs/dbraw/zinc/12/75/01/226127501.db2.gz ZYWFAGMMRKAWIR-CHWSQXEVSA-N 1 0 323.393 1.490 20 5 DDBDRO COC[C@]1(C)CC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000296695821 226133286 /nfs/dbraw/zinc/13/32/86/226133286.db2.gz METGVWBEINTYQI-CZUORRHYSA-N 1 0 324.377 1.693 20 5 DDBDRO Cn1nc([N+](=O)[O-])cc1C(=O)NCCC[NH2+]C1CCCCC1 ZINC000419914355 226395945 /nfs/dbraw/zinc/39/59/45/226395945.db2.gz AYWDCJOUYSTSIW-UHFFFAOYSA-N 1 0 309.370 1.371 20 5 DDBDRO Cn1nc([N+](=O)[O-])cc1C(=O)Nc1nc2c(s1)CN(C)CC2 ZINC000360542924 418459840 /nfs/dbraw/zinc/45/98/40/418459840.db2.gz LBXUZKNJXJGPEU-UHFFFAOYSA-N 1 0 322.350 1.025 20 5 DDBDRO Cc1ccnc(N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c1[N+](=O)[O-] ZINC000374234457 418509026 /nfs/dbraw/zinc/50/90/26/418509026.db2.gz OVLPXKULEALOJG-QWHCGFSZSA-N 1 0 306.366 1.334 20 5 DDBDRO CC(C)N1CCO[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000366737329 418510920 /nfs/dbraw/zinc/51/09/20/418510920.db2.gz GRXHWOBFYZVVGM-ZDUSSCGKSA-N 1 0 309.322 1.348 20 5 DDBDRO C[C@@H]1CN(c2ncccc2[N+](=O)[O-])CCN1C1CC[NH+](C)CC1 ZINC000374257139 418511069 /nfs/dbraw/zinc/51/10/69/418511069.db2.gz XZRGWZJBRIWOKU-CYBMUJFWSA-N 1 0 319.409 1.595 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000374429309 418529692 /nfs/dbraw/zinc/52/96/92/418529692.db2.gz OJWUWUXATNSSMO-OAHLLOKOSA-N 1 0 318.377 1.902 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)n1 ZINC000191840280 222110375 /nfs/dbraw/zinc/11/03/75/222110375.db2.gz YTMOVQFBUWUNFR-VHSXEESVSA-N 1 0 307.354 1.166 20 5 DDBDRO C[C@@H](NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)C(C)(C)C[NH+](C)C ZINC000193622481 222160223 /nfs/dbraw/zinc/16/02/23/222160223.db2.gz DPXFODDXQUKGQK-SECBINFHSA-N 1 0 310.354 1.402 20 5 DDBDRO CC[NH+]1CCN(C[C@@H](C)CNc2ncc([N+](=O)[O-])s2)CC1 ZINC000195509807 222203085 /nfs/dbraw/zinc/20/30/85/222203085.db2.gz PCUFFKHEAXZSJI-NSHDSACASA-N 1 0 313.427 1.737 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CCN(c3ccc([N+](=O)[O-])c4nonc43)C[C@H]21 ZINC000375050719 418596060 /nfs/dbraw/zinc/59/60/60/418596060.db2.gz SFDVBJDHPQAUOU-BXKDBHETSA-N 1 0 303.322 1.661 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CC[N@H+](C)[C@@H]2C1 ZINC000375053876 418596437 /nfs/dbraw/zinc/59/64/37/418596437.db2.gz IJANSJJBAVLURK-BXUZGUMPSA-N 1 0 319.361 1.770 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H]2C(=O)NC[C@@H]2C1 ZINC000368232015 418707435 /nfs/dbraw/zinc/70/74/35/418707435.db2.gz YVSRPARRAMNZRF-DGCLKSJQSA-N 1 0 305.334 1.171 20 5 DDBDRO COc1cc(C[N@@H+]2CC[C@H](CC(N)=O)C2)c([N+](=O)[O-])cc1F ZINC000367988160 418670111 /nfs/dbraw/zinc/67/01/11/418670111.db2.gz JAJTUWBXYRKKAY-SECBINFHSA-N 1 0 311.313 1.440 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1C[C@H]([NH3+])Cc2ccccc21 ZINC000387075509 418741514 /nfs/dbraw/zinc/74/15/14/418741514.db2.gz OCSWWIVORRIIBJ-LLVKDONJSA-N 1 0 300.318 1.464 20 5 DDBDRO Cn1ccnc1[C@@H](N[C@H]1CCC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000423196834 227398005 /nfs/dbraw/zinc/39/80/05/227398005.db2.gz WMJYGMKBVKOEIQ-ZFWWWQNUSA-N 1 0 315.377 1.759 20 5 DDBDRO COC[C@]1(C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC[NH2+]C1 ZINC000423269732 227421765 /nfs/dbraw/zinc/42/17/65/227421765.db2.gz FVBNMUWKSDNCQF-LRDDRELGSA-N 1 0 321.377 1.707 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@](O)(C2CC2)C1 ZINC000365839609 418914397 /nfs/dbraw/zinc/91/43/97/418914397.db2.gz RWJVSIRUOVHXNT-XJKSGUPXSA-N 1 0 322.361 1.181 20 5 DDBDRO COCC[NH2+]CCNC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000417860703 419358316 /nfs/dbraw/zinc/35/83/16/419358316.db2.gz YVLLNJVSTDWCFC-GFCCVEGCSA-N 1 0 324.381 1.499 20 5 DDBDRO C[C@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H]1CO ZINC000411607713 419360907 /nfs/dbraw/zinc/36/09/07/419360907.db2.gz DFUYVQOBKFOFGS-SMDDNHRTSA-N 1 0 307.350 1.626 20 5 DDBDRO Cc1c(CC(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)cccc1[N+](=O)[O-] ZINC000425060763 228358160 /nfs/dbraw/zinc/35/81/60/228358160.db2.gz WYZMMWLINSZZMZ-GOEBONIOSA-N 1 0 317.389 1.998 20 5 DDBDRO CC[C@]1(O)CC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000425919072 419367305 /nfs/dbraw/zinc/36/73/05/419367305.db2.gz ATZCXMNOHBSQQA-HNNXBMFYSA-N 1 0 308.334 1.808 20 5 DDBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)C[C@@H]1CCC[N@@H+]1C ZINC000421002734 419439745 /nfs/dbraw/zinc/43/97/45/419439745.db2.gz MOXRGLXWLLBSRP-STQMWFEESA-N 1 0 320.393 1.948 20 5 DDBDRO CNC(=O)NC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000412057466 419604576 /nfs/dbraw/zinc/60/45/76/419604576.db2.gz XQFHAKCNEADXGK-UHFFFAOYSA-N 1 0 306.366 1.531 20 5 DDBDRO Cc1cc(S(=O)(=O)N[C@@H](C)CCCC[NH3+])ccc1[N+](=O)[O-] ZINC000427941061 228684925 /nfs/dbraw/zinc/68/49/25/228684925.db2.gz YRQDXXMETWTLBV-NSHDSACASA-N 1 0 315.395 1.699 20 5 DDBDRO CC(C)[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCC(=O)N1 ZINC000412092235 419649281 /nfs/dbraw/zinc/64/92/81/419649281.db2.gz VQULFMLJZZQHSR-ZDUSSCGKSA-N 1 0 321.377 1.963 20 5 DDBDRO O=C(NC[C@@H]1CCC[NH2+]1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000418363361 419743549 /nfs/dbraw/zinc/74/35/49/419743549.db2.gz ILPGQSDLVHNXKR-NSHDSACASA-N 1 0 320.349 1.119 20 5 DDBDRO CC(C)[C@@H]([NH3+])CNC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000418384641 419760615 /nfs/dbraw/zinc/76/06/15/419760615.db2.gz KNVMZDSWDQOKHL-AWEZNQCLSA-N 1 0 322.365 1.351 20 5 DDBDRO O=C(N[C@H]1CC[NH2+]C1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000418386687 419762422 /nfs/dbraw/zinc/76/24/22/419762422.db2.gz QHAZFDZQGWHIJS-KGLIPLIRSA-N 1 0 318.377 1.846 20 5 DDBDRO O=[N+]([O-])c1ccc2oc(CN3CC[C@@H]4[NH2+]CC[C@H]4C3)nc2c1 ZINC000428040006 419800175 /nfs/dbraw/zinc/80/01/75/419800175.db2.gz ULKIVHMYYCAVSV-JQWIXIFHSA-N 1 0 302.334 1.920 20 5 DDBDRO CCC[NH2+]CCNC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000418480513 419826033 /nfs/dbraw/zinc/82/60/33/419826033.db2.gz RADGAEAPDDXZNY-UHFFFAOYSA-N 1 0 308.382 1.778 20 5 DDBDRO C[C@@H](CC[NH3+])NC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000418555668 419874285 /nfs/dbraw/zinc/87/42/85/419874285.db2.gz NUSHBBHTLAEAON-JTQLQIEISA-N 1 0 308.338 1.105 20 5 DDBDRO C[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000432235688 229089441 /nfs/dbraw/zinc/08/94/41/229089441.db2.gz LIQYHSSRJQIUKT-BYCMXARLSA-N 1 0 319.361 1.715 20 5 DDBDRO COCC[N@@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2C)CC1 ZINC000299624862 229275438 /nfs/dbraw/zinc/27/54/38/229275438.db2.gz KTIPTRZZRFAWCR-UHFFFAOYSA-N 1 0 321.377 1.698 20 5 DDBDRO O=[N+]([O-])c1ccc(OC(F)F)c(CNC[C@H]2C[NH2+]CCO2)c1 ZINC000415099368 419943122 /nfs/dbraw/zinc/94/31/22/419943122.db2.gz YAKPPEPNUHGGMQ-LLVKDONJSA-N 1 0 317.292 1.274 20 5 DDBDRO CC[C@H]([NH3+])CNC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000418720217 419951189 /nfs/dbraw/zinc/95/11/89/419951189.db2.gz VUGDHLNQFLSGQB-NSHDSACASA-N 1 0 308.338 1.236 20 5 DDBDRO C[C@@H]1CCCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])[C@H]1C[NH3+] ZINC000429170139 419982462 /nfs/dbraw/zinc/98/24/62/419982462.db2.gz JWVFCLCOXLZJAS-DOMZBBRYSA-N 1 0 320.393 1.617 20 5 DDBDRO Cc1c(CC(=O)NCC2(C)CC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000423515147 420067803 /nfs/dbraw/zinc/06/78/03/420067803.db2.gz FNIHVUFKJPTKDK-UHFFFAOYSA-N 1 0 305.378 1.952 20 5 DDBDRO CC(C)[C@@H]([NH3+])C[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000423268592 419999292 /nfs/dbraw/zinc/99/92/92/419999292.db2.gz GPSPLAYWGIKICB-RISCZKNCSA-N 1 0 308.382 1.885 20 5 DDBDRO Cc1cc(NC(=O)NCCCN2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000415414715 420053578 /nfs/dbraw/zinc/05/35/78/420053578.db2.gz GIZAFKCDQXYNHE-UHFFFAOYSA-N 1 0 321.381 1.320 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)CC(C)(C)C[NH3+] ZINC000430573963 420143006 /nfs/dbraw/zinc/14/30/06/420143006.db2.gz NJRDFQDUFZMTCN-UHFFFAOYSA-N 1 0 308.382 1.758 20 5 DDBDRO [NH3+]C[C@@H]1CCCCN1c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000420176561 420141391 /nfs/dbraw/zinc/14/13/91/420141391.db2.gz QETSCEAAWHCXAW-LBPRGKRZSA-N 1 0 303.322 1.962 20 5 DDBDRO CCC([NH3+])(CC)CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000415478347 420082873 /nfs/dbraw/zinc/08/28/73/420082873.db2.gz ASITZIAJCJPMGC-UHFFFAOYSA-N 1 0 308.338 1.167 20 5 DDBDRO COC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1OC)[C@H]1CCCO1 ZINC000430228702 420092996 /nfs/dbraw/zinc/09/29/96/420092996.db2.gz DSGJRMCTSCUTRC-UONOGXRCSA-N 1 0 310.350 1.887 20 5 DDBDRO COC(=O)c1cc(C)nc(NC[C@@H]2CCC[C@@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000420289426 420184626 /nfs/dbraw/zinc/18/46/26/420184626.db2.gz SUZZBZYDCVZKFG-GHMZBOCLSA-N 1 0 322.365 2.014 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000420328781 420212991 /nfs/dbraw/zinc/21/29/91/420212991.db2.gz FRXCGPSOKZZVKF-YPMHNXCESA-N 1 0 320.393 1.901 20 5 DDBDRO CCC(CC)(C[NH3+])C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000423831223 420214656 /nfs/dbraw/zinc/21/46/56/420214656.db2.gz VQEAQSYSINOKMA-UHFFFAOYSA-N 1 0 323.397 1.720 20 5 DDBDRO C[NH2+]C[C@@H](C)CNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000420187559 420145090 /nfs/dbraw/zinc/14/50/90/420145090.db2.gz DNACJIHOJHAZTP-SNVBAGLBSA-N 1 0 306.366 1.754 20 5 DDBDRO CC1(C)CCC[NH2+][C@@H]1C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000423729226 420147769 /nfs/dbraw/zinc/14/77/69/420147769.db2.gz UQMTVWQWNWKYTE-GFCCVEGCSA-N 1 0 317.349 2.188 20 5 DDBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1NC[C@H]1C[NH2+]C[C@H]1O ZINC000420248994 420168114 /nfs/dbraw/zinc/16/81/14/420168114.db2.gz XAYVWFXGUGGCMK-LHLIQPBNSA-N 1 0 306.149 1.894 20 5 DDBDRO COc1ccc(NC(=O)[C@H](C)N2CC[C@@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000430965440 420226900 /nfs/dbraw/zinc/22/69/00/420226900.db2.gz JKWVNHPMLGVLRU-QWRGUYRKSA-N 1 0 322.365 1.211 20 5 DDBDRO CN(CCc1ccccc1[N+](=O)[O-])Cc1nc(C(C)(C)[NH3+])no1 ZINC000420375490 420245127 /nfs/dbraw/zinc/24/51/27/420245127.db2.gz PNXWTEVTGFNUEB-UHFFFAOYSA-N 1 0 319.365 1.846 20 5 DDBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000420378155 420249476 /nfs/dbraw/zinc/24/94/76/420249476.db2.gz WXEKLIDPMMSVTP-WQGACYEGSA-N 1 0 320.393 1.900 20 5 DDBDRO COc1ccc(OCCN2CC[C@@H](C)[C@@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000420396955 420262076 /nfs/dbraw/zinc/26/20/76/420262076.db2.gz FMXUGTIKASRLQR-OLZOCXBDSA-N 1 0 323.393 1.899 20 5 DDBDRO COC(=O)c1cc(C(=O)N(C)[C@@H](C[NH3+])C2CC2)cc([N+](=O)[O-])c1 ZINC000423962972 420285956 /nfs/dbraw/zinc/28/59/56/420285956.db2.gz VRYHORCNSPQOAL-ZDUSSCGKSA-N 1 0 321.333 1.191 20 5 DDBDRO CNC(=O)c1ccc(N2CCC[C@H]3C[N@H+](C)C[C@H]32)c([N+](=O)[O-])c1 ZINC000425277976 420337442 /nfs/dbraw/zinc/33/74/42/420337442.db2.gz DDFLUPFOSPZXNS-SWLSCSKDSA-N 1 0 318.377 1.485 20 5 DDBDRO C[C@H]1[NH2+]CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@H]1C ZINC000436059104 420303891 /nfs/dbraw/zinc/30/38/91/420303891.db2.gz MXKSTKBNHAMXSV-MNOVXSKESA-N 1 0 317.349 1.827 20 5 DDBDRO C[NH+](C)CC(C)(C)NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000416507096 420400640 /nfs/dbraw/zinc/40/06/40/420400640.db2.gz IZXFNUFRPKPWRS-UHFFFAOYSA-N 1 0 307.397 1.275 20 5 DDBDRO C[N@H+]1CC=C(CNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000492338595 420526921 /nfs/dbraw/zinc/52/69/21/420526921.db2.gz ABHIVMYIHFHTSD-DAXSKMNVSA-N 1 0 301.346 1.986 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])c(N[C@H]2CCC[N@H+](CCCO)C2)n1 ZINC000450614361 420499600 /nfs/dbraw/zinc/49/96/00/420499600.db2.gz MZHZANWMBJKGJT-ZDUSSCGKSA-N 1 0 308.382 1.865 20 5 DDBDRO C[C@@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000440346510 420567765 /nfs/dbraw/zinc/56/77/65/420567765.db2.gz RBHCZDNACCXVFS-RKDXNWHRSA-N 1 0 319.408 1.547 20 5 DDBDRO COCC[C@@]1([NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])CCOC1 ZINC000447380247 420769308 /nfs/dbraw/zinc/76/93/08/420769308.db2.gz DQUGLLKAIBVICE-OAHLLOKOSA-N 1 0 323.349 1.319 20 5 DDBDRO C[C@H]([NH2+][C@@H](CO)[C@@H]1CCCO1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000447912274 420816665 /nfs/dbraw/zinc/81/66/65/420816665.db2.gz JSMLNMWIQIEPIU-BPNCWPANSA-N 1 0 323.349 1.051 20 5 DDBDRO O=C(/C=C\c1ccc(F)cc1[N+](=O)[O-])N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000493677390 420913044 /nfs/dbraw/zinc/91/30/44/420913044.db2.gz UNGKMRIQCAMURI-ZZDKLVDUSA-N 1 0 319.336 1.958 20 5 DDBDRO CNc1nc(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000455657475 421050477 /nfs/dbraw/zinc/05/04/77/421050477.db2.gz MFEZJUZEXLUVAZ-WDEREUQCSA-N 1 0 319.365 1.340 20 5 DDBDRO Nc1c(C(=O)NCCC[C@H]2CCC[NH2+]2)cc(F)cc1[N+](=O)[O-] ZINC000449685737 421057049 /nfs/dbraw/zinc/05/70/49/421057049.db2.gz VSZMRAYQFACGAZ-SNVBAGLBSA-N 1 0 310.329 1.578 20 5 DDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCN1CCCO ZINC000449385834 421001816 /nfs/dbraw/zinc/00/18/16/421001816.db2.gz GVKNBPFMVLSPEX-HOCLYGCPSA-N 1 0 321.421 1.962 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@H]1CCCCN1CCO ZINC000449391035 421005353 /nfs/dbraw/zinc/00/53/53/421005353.db2.gz HLPSNAJDPCQIHA-MRXNPFEDSA-N 1 0 307.394 1.840 20 5 DDBDRO C[C@@H]([NH3+])[C@H](C)NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000449589096 421033752 /nfs/dbraw/zinc/03/37/52/421033752.db2.gz MAWOXYZVGUEUGN-ZJUUUORDSA-N 1 0 317.349 1.461 20 5 DDBDRO CCOc1cc(C(=O)NC[C@@H]([NH3+])CC)c([N+](=O)[O-])cc1OC ZINC000449599249 421036478 /nfs/dbraw/zinc/03/64/78/421036478.db2.gz KPCRTGXRVFMRNN-VIFPVBQESA-N 1 0 311.338 1.469 20 5 DDBDRO CCOC(=O)c1ccnc(NC[C@@H](C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000489005461 421130808 /nfs/dbraw/zinc/13/08/08/421130808.db2.gz QCEVYCGWSTVYDK-SNVBAGLBSA-N 1 0 310.354 1.776 20 5 DDBDRO COc1cc(OCC(=O)N[C@H]2CC[C@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000449715347 421066348 /nfs/dbraw/zinc/06/63/48/421066348.db2.gz JAZFJDFKDIWEPA-QWRGUYRKSA-N 1 0 323.349 1.226 20 5 DDBDRO COc1cc(C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)cc([N+](=O)[O-])c1OC ZINC000449729430 421069576 /nfs/dbraw/zinc/06/95/76/421069576.db2.gz ZOMLVHLBEORUKX-GXSJLCMTSA-N 1 0 323.349 1.469 20 5 DDBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000449739686 421071536 /nfs/dbraw/zinc/07/15/36/421071536.db2.gz BYQPJTIZMHVCNU-YPMHNXCESA-N 1 0 305.334 1.184 20 5 DDBDRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000488357852 421084773 /nfs/dbraw/zinc/08/47/73/421084773.db2.gz QFCSTNSJFLIXKU-SWLSCSKDSA-N 1 0 305.378 1.793 20 5 DDBDRO C[C@H]1C[C@@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC[N@@H+]1C ZINC000525620061 421293281 /nfs/dbraw/zinc/29/32/81/421293281.db2.gz ZESTYBXVEDMQJH-UWVGGRQHSA-N 1 0 321.333 1.536 20 5 DDBDRO C[C@@H](C(=O)NCCN1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000562393988 421361201 /nfs/dbraw/zinc/36/12/01/421361201.db2.gz XXTJDTDOGPLBHL-CYBMUJFWSA-N 1 0 320.393 1.062 20 5 DDBDRO CC[C@H](C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000562450078 421368538 /nfs/dbraw/zinc/36/85/38/421368538.db2.gz GWHIGRMNAGMJFQ-CZUORRHYSA-N 1 0 318.377 1.936 20 5 DDBDRO COc1c(C(=O)NC[C@H]2CCC[N@H+](C)C2)cccc1[N+](=O)[O-] ZINC000527245580 421370320 /nfs/dbraw/zinc/37/03/20/421370320.db2.gz VHMZTUXBQIELQR-LLVKDONJSA-N 1 0 307.350 1.675 20 5 DDBDRO CC(C)[N@@H+]1CC[C@@H](CNc2c(C(N)=O)cccc2[N+](=O)[O-])C1 ZINC000562927003 421426377 /nfs/dbraw/zinc/42/63/77/421426377.db2.gz ZRVNHMVCPJJIDQ-NSHDSACASA-N 1 0 306.366 1.836 20 5 DDBDRO C[C@@]1(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCOC1 ZINC000514668281 421444735 /nfs/dbraw/zinc/44/47/35/421444735.db2.gz CPYCMJYQEWYCRB-ZFWWWQNUSA-N 1 0 310.350 1.351 20 5 DDBDRO COC(=O)c1cnc(N2CC[C@@]3(C2)CCC[NH2+]C3)c([N+](=O)[O-])c1 ZINC000570189686 421630406 /nfs/dbraw/zinc/63/04/06/421630406.db2.gz HESUQAVAIDGIDA-HNNXBMFYSA-N 1 0 320.349 1.356 20 5 DDBDRO Cc1c(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])cnn1C ZINC000517921949 421633707 /nfs/dbraw/zinc/63/37/07/421633707.db2.gz AJADUPTVDVZSGK-CYBMUJFWSA-N 1 0 320.349 1.166 20 5 DDBDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000543767968 421841324 /nfs/dbraw/zinc/84/13/24/421841324.db2.gz ZGTHCZNQFDSXHT-LLVKDONJSA-N 1 0 307.354 1.264 20 5 DDBDRO C[C@H]1CC[N@H+](CC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000573742131 422009500 /nfs/dbraw/zinc/00/95/00/422009500.db2.gz UWVLAKBGDLPPAD-LBPRGKRZSA-N 1 0 319.361 1.658 20 5 DDBDRO COc1ccc(CC(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-] ZINC000581997660 422084204 /nfs/dbraw/zinc/08/42/04/422084204.db2.gz MJQQPZHLZCHLJX-OLZOCXBDSA-N 1 0 319.361 1.499 20 5 DDBDRO COCc1ccc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000582100859 422108143 /nfs/dbraw/zinc/10/81/43/422108143.db2.gz BXILCDCULPOOBO-HNNXBMFYSA-N 1 0 320.349 1.088 20 5 DDBDRO C[C@H]([NH2+]C1CC1)C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000583260315 422158751 /nfs/dbraw/zinc/15/87/51/422158751.db2.gz OJEXMIWFUUFOJQ-VIFPVBQESA-N 1 0 315.333 2.064 20 5 DDBDRO CC[NH2+]CCCNC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000574874845 422202581 /nfs/dbraw/zinc/20/25/81/422202581.db2.gz RCUMKTVEFBTNDZ-UHFFFAOYSA-N 1 0 309.322 1.111 20 5 DDBDRO CC1(C)C[NH2+][C@@H]1C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000592070578 422329689 /nfs/dbraw/zinc/32/96/89/422329689.db2.gz RMBHIKQTZYLLNI-CYBMUJFWSA-N 1 0 315.333 1.921 20 5 DDBDRO Nc1nccc(C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)c1[N+](=O)[O-] ZINC000594345124 422346558 /nfs/dbraw/zinc/34/65/58/422346558.db2.gz UEENKVZFCYAHFT-NSHDSACASA-N 1 0 319.365 1.319 20 5 DDBDRO CCOC(=O)c1ccnc(NCC[C@@H](C)[NH+](C)C)c1[N+](=O)[O-] ZINC000596428590 422376199 /nfs/dbraw/zinc/37/61/99/422376199.db2.gz FMJRSFVEYSLBTD-SNVBAGLBSA-N 1 0 310.354 1.919 20 5 DDBDRO C[NH+](C)[C@H](CNc1ccc(N)c([N+](=O)[O-])n1)c1ccsc1 ZINC000590571592 422321111 /nfs/dbraw/zinc/32/11/11/422321111.db2.gz SMMYETUMIRMJEG-LLVKDONJSA-N 1 0 307.379 2.348 20 5 DDBDRO COC(=O)c1cc(C(=O)N2CCC[C@H](C[NH3+])C2)cc([N+](=O)[O-])c1 ZINC000577608550 422391496 /nfs/dbraw/zinc/39/14/96/422391496.db2.gz SZISYXKUOSYVFP-SNVBAGLBSA-N 1 0 321.333 1.192 20 5 DDBDRO Nc1nc(NC[C@@H]2CC[N@@H+]2C2CCCCC2)ncc1[N+](=O)[O-] ZINC000599125864 422402816 /nfs/dbraw/zinc/40/28/16/422402816.db2.gz DTECERYJSHIECY-NSHDSACASA-N 1 0 306.370 1.208 20 5 DDBDRO CNc1nccc(C(=O)NCc2cc(C)nc(C)c2)c1[N+](=O)[O-] ZINC000578378653 422559612 /nfs/dbraw/zinc/55/96/12/422559612.db2.gz LQZGKTYKUHZIFB-UHFFFAOYSA-N 1 0 315.333 1.973 20 5 DDBDRO C[C@@H]1CCCN(C(=O)CCNc2ccccc2[N+](=O)[O-])[C@@H]1C[NH3+] ZINC000237491234 263579475 /nfs/dbraw/zinc/57/94/75/263579475.db2.gz CDDWNUGQLQPEGL-IUODEOHRSA-N 1 0 320.393 1.983 20 5 DDBDRO Cc1cc(N2C[C@H](O)[C@@H](CO)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000317429033 271022462 /nfs/dbraw/zinc/02/24/62/271022462.db2.gz LKIGLMRSWBPABP-BMIGLBTASA-N 1 0 303.318 1.241 20 5 DDBDRO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000343807243 271876580 /nfs/dbraw/zinc/87/65/80/271876580.db2.gz TURNZJDZRXJHQL-RYUDHWBXSA-N 1 0 323.397 1.948 20 5 DDBDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000344645343 272078775 /nfs/dbraw/zinc/07/87/75/272078775.db2.gz PDSUXDYYEZGEBC-GFCCVEGCSA-N 1 0 309.370 1.028 20 5 DDBDRO CCN(CCn1ccc([N+](=O)[O-])n1)CC[NH+]1CCCCCC1 ZINC000347330047 272664073 /nfs/dbraw/zinc/66/40/73/272664073.db2.gz ZUWOKCWRMSGHSR-UHFFFAOYSA-N 1 0 309.414 1.989 20 5 DDBDRO C[C@@H](C[NH3+])N(C)S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000237489608 274215189 /nfs/dbraw/zinc/21/51/89/274215189.db2.gz AUQHSVURRUWBJQ-ZETCQYMHSA-N 1 0 307.759 1.216 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@](C)(C(N)=O)C(C)C ZINC000459483344 274763603 /nfs/dbraw/zinc/76/36/03/274763603.db2.gz OCMKTJQZGMDVPJ-OAHLLOKOSA-N 1 0 322.365 1.331 20 5 DDBDRO CC1(C)C[C@@H]([NH2+]CC2(CO)COC2)c2cc([N+](=O)[O-])ccc21 ZINC000279151848 275859939 /nfs/dbraw/zinc/85/99/39/275859939.db2.gz SSICFVBNGALMSB-CQSZACIVSA-N 1 0 306.362 1.916 20 5 DDBDRO C[NH+]1CCC(CNc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC1 ZINC000301124234 277026917 /nfs/dbraw/zinc/02/69/17/277026917.db2.gz PDRJDHFCCUZGSR-UHFFFAOYSA-N 1 0 320.349 1.679 20 5 DDBDRO COC[C@H]([NH2+]CCOc1ccc(OC)cc1[N+](=O)[O-])C1CC1 ZINC000183436734 277596710 /nfs/dbraw/zinc/59/67/10/277596710.db2.gz VQCCMODIYUVXQJ-ZDUSSCGKSA-N 1 0 310.350 1.997 20 5 DDBDRO COc1cccc(N2CC[NH+](CC(C)(C)O)CC2)c1[N+](=O)[O-] ZINC000181213433 278016025 /nfs/dbraw/zinc/01/60/25/278016025.db2.gz AUSDQHVNFKSAKA-UHFFFAOYSA-N 1 0 309.366 1.496 20 5 DDBDRO C[C@@H]1C[C@@H](C)N(C(=O)COc2ccccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000424050382 297233824 /nfs/dbraw/zinc/23/38/24/297233824.db2.gz CSPNJMPYGVCLLA-UPJWGTAASA-N 1 0 321.377 1.805 20 5 DDBDRO Cn1nc([N+](=O)[O-])cc1C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000356706518 298854336 /nfs/dbraw/zinc/85/43/36/298854336.db2.gz FDQNEKLQSROMBX-UHFFFAOYSA-N 1 0 321.381 1.419 20 5 DDBDRO C[N@@H+]1CC[C@](O)(CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000358061664 299061577 /nfs/dbraw/zinc/06/15/77/299061577.db2.gz HAKURBFZOLYZTI-ZDUSSCGKSA-N 1 0 313.741 1.045 20 5 DDBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3cccc([N+](=O)[O-])c3N)C[C@@H]21 ZINC000362290457 300044979 /nfs/dbraw/zinc/04/49/79/300044979.db2.gz RVCCBSIBDURWLK-GWCFXTLKSA-N 1 0 304.350 1.343 20 5 DDBDRO C[N@H+]1C[C@H]2CN(c3nc(-c4ccc([N+](=O)[O-])cc4)no3)C[C@H]2C1 ZINC000362663732 300113102 /nfs/dbraw/zinc/11/31/02/300113102.db2.gz LTNMMIIVEMAHKZ-TXEJJXNPSA-N 1 0 315.333 1.643 20 5 DDBDRO COc1cc(C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000362910235 300176351 /nfs/dbraw/zinc/17/63/51/300176351.db2.gz HDKMYYSTTYICNP-ZDUSSCGKSA-N 1 0 319.361 1.914 20 5 DDBDRO C[N@@H+]1CCC[C@H](N2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000362940574 300183481 /nfs/dbraw/zinc/18/34/81/300183481.db2.gz GMQFHPVMTOFILI-KRWDZBQOSA-N 1 0 318.421 1.807 20 5 DDBDRO Cn1cc(C[C@@H]2CC[N@H+](CCn3cc([N+](=O)[O-])cn3)C2)cn1 ZINC000363352643 300256061 /nfs/dbraw/zinc/25/60/61/300256061.db2.gz NHXLFWGFSAYPRF-LBPRGKRZSA-N 1 0 304.354 1.089 20 5 DDBDRO C[C@@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)[C@H]1COc2ccccc21 ZINC000363836612 300314833 /nfs/dbraw/zinc/31/48/33/300314833.db2.gz VBIHZVLPSODCCT-ZYHUDNBSSA-N 1 0 302.334 1.983 20 5 DDBDRO COC(=O)CN1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000363892115 300321771 /nfs/dbraw/zinc/32/17/71/300321771.db2.gz WJOKHMGMGCLJEA-UHFFFAOYSA-N 1 0 321.377 1.584 20 5 DDBDRO O=C(COc1cccc([N+](=O)[O-])c1)N[C@@H]1CC12CC[NH2+]CC2 ZINC000368374120 301013961 /nfs/dbraw/zinc/01/39/61/301013961.db2.gz HOSALLJBBXVXSE-CYBMUJFWSA-N 1 0 305.334 1.232 20 5 DDBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc(N)c([N+](=O)[O-])c3)C[C@H]21 ZINC000368596590 301061351 /nfs/dbraw/zinc/06/13/51/301061351.db2.gz VMBVMCJIFIDKHT-IINYFYTJSA-N 1 0 304.350 1.343 20 5 DDBDRO Nc1ccc([N+](=O)[O-])c(NC2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000369207579 301144977 /nfs/dbraw/zinc/14/49/77/301144977.db2.gz QBSUTUOUBFBXON-ZDUSSCGKSA-N 1 0 306.366 1.842 20 5 DDBDRO C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000369685059 301212565 /nfs/dbraw/zinc/21/25/65/301212565.db2.gz ZJRIUZJZJFHHPP-CYBMUJFWSA-N 1 0 307.398 1.913 20 5 DDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000370191087 301291917 /nfs/dbraw/zinc/29/19/17/301291917.db2.gz CIGDDJCAAUOSOM-UHFFFAOYSA-N 1 0 318.377 1.924 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H]2CC[N@H+](C)[C@H]2C1 ZINC000370445625 301340697 /nfs/dbraw/zinc/34/06/97/301340697.db2.gz WHMUTWSFPFXMPS-RISCZKNCSA-N 1 0 319.361 1.770 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CCC[NH2+]C2)c1C ZINC000193352803 301861247 /nfs/dbraw/zinc/86/12/47/301861247.db2.gz UBHQZQDMTFAOFS-NSHDSACASA-N 1 0 313.379 1.242 20 5 DDBDRO [NH3+][C@H]1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000377358927 302172429 /nfs/dbraw/zinc/17/24/29/302172429.db2.gz QFQIRCFNWKEDPP-YHPBZONMSA-N 1 0 311.363 1.238 20 5 DDBDRO CS[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cn2)C[C@@H]1[NH+](C)C ZINC000535729417 303349973 /nfs/dbraw/zinc/34/99/73/303349973.db2.gz WIXVJABSVVLKLZ-RYUDHWBXSA-N 1 0 310.379 1.107 20 5 DDBDRO CN1CCC[C@@H]([N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1=O ZINC000538712080 303389898 /nfs/dbraw/zinc/38/98/98/303389898.db2.gz PLRAFLFAFQYICM-WCQYABFASA-N 1 0 319.365 1.097 20 5 DDBDRO C[C@@H]1C[NH2+]C[C@H]1CNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC001120644622 782068778 /nfs/dbraw/zinc/06/87/78/782068778.db2.gz IBNXUWBTLCCHPH-NEPJUHHUSA-N 1 0 320.393 1.985 20 5 DDBDRO Cc1c(CN2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cccc1[N+](=O)[O-] ZINC000363738548 307034880 /nfs/dbraw/zinc/03/48/80/307034880.db2.gz ZCGYVODJTJMQTE-DLBZAZTESA-N 1 0 319.405 1.934 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@H]2c3ccccc3CC[C@@H]2CO)c1 ZINC000364584065 307048558 /nfs/dbraw/zinc/04/85/58/307048558.db2.gz PDMIDWNIPQNKLQ-CJNGLKHVSA-N 1 0 316.361 1.677 20 5 DDBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])c(F)cc3N)[C@@H]2C1 ZINC000367253620 307089747 /nfs/dbraw/zinc/08/97/47/307089747.db2.gz SQYSIDXJDYWSPB-LKFCYVNXSA-N 1 0 322.340 1.482 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@H](O)C2(CC2)C1 ZINC000368793733 307109837 /nfs/dbraw/zinc/10/98/37/307109837.db2.gz ZJROLWVVGQXEAM-AWEZNQCLSA-N 1 0 319.361 1.689 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2C[C@H]3CCC[C@@H](C2)C3O)c1 ZINC000370997933 307140172 /nfs/dbraw/zinc/14/01/72/307140172.db2.gz KLUGQRORYKFZAE-XFDYKOMQSA-N 1 0 306.362 1.721 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH+]2CC([C@H]3CCOC3)C2)c1 ZINC000373641293 307193770 /nfs/dbraw/zinc/19/37/70/307193770.db2.gz SAPXWOUKISEMND-SWLSCSKDSA-N 1 0 322.361 1.303 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000373938066 307198237 /nfs/dbraw/zinc/19/82/37/307198237.db2.gz MJVAOBUTAYURIQ-VXGBXAGGSA-N 1 0 304.350 1.655 20 5 DDBDRO C[C@]1(CNC(=O)[C@H]2C[C@@H]2[N+](=O)[O-])CC[N@H+](Cc2ccccc2)C1 ZINC000374279337 307204986 /nfs/dbraw/zinc/20/49/86/307204986.db2.gz VGJHKYJTWGZXBS-YQQAZPJKSA-N 1 0 317.389 1.680 20 5 DDBDRO O=C(NC[C@H]1C[NH2+]CCCO1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000390215133 307293560 /nfs/dbraw/zinc/29/35/60/307293560.db2.gz YIHUPEDFOUURFC-GFCCVEGCSA-N 1 0 313.741 1.357 20 5 DDBDRO CN1CC[NH2+]C[C@H]1CNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000394768732 307295662 /nfs/dbraw/zinc/29/56/62/307295662.db2.gz KSRGGKNFQKPSIG-NSHDSACASA-N 1 0 301.350 1.459 20 5 DDBDRO [NH3+][C@@H]1CCCC[C@H]1N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000424338220 307301441 /nfs/dbraw/zinc/30/14/41/307301441.db2.gz UHAVSCMPEMIFGW-KFWWJZLASA-N 1 0 318.377 1.560 20 5 DDBDRO O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000521226842 307465779 /nfs/dbraw/zinc/46/57/79/307465779.db2.gz HHBCPXFCVDXMKG-JTQLQIEISA-N 1 0 319.317 1.290 20 5 DDBDRO CCS(=O)(=O)C[C@H](C)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000537059375 307668600 /nfs/dbraw/zinc/66/86/00/307668600.db2.gz FJUXHRUHSGBWQA-NSHDSACASA-N 1 0 316.379 1.386 20 5 DDBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000566975266 308067480 /nfs/dbraw/zinc/06/74/80/308067480.db2.gz YPFVKQCJTJCNEP-QWRGUYRKSA-N 1 0 317.349 1.636 20 5 DDBDRO O=C(NCC[C@H]1CCC[NH2+]1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000567725221 308092605 /nfs/dbraw/zinc/09/26/05/308092605.db2.gz HFTJSPLFYQQAEP-SNVBAGLBSA-N 1 0 321.333 1.238 20 5 DDBDRO CC[C@@H](CC(F)(F)F)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000570794849 308179985 /nfs/dbraw/zinc/17/99/85/308179985.db2.gz DMZDAQCXLDUDJE-WCBMZHEXSA-N 1 0 310.276 1.473 20 5 DDBDRO C[C@@H]1CCCC[C@H]1CC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000573713511 308250218 /nfs/dbraw/zinc/25/02/18/308250218.db2.gz WRFJRCBDYQOAIN-VNHYZAJKSA-N 1 0 310.398 1.958 20 5 DDBDRO CNc1ccc(C(=O)NCCC[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000578649977 308476281 /nfs/dbraw/zinc/47/62/81/308476281.db2.gz XNABKFAVNRKLED-GFCCVEGCSA-N 1 0 306.366 1.899 20 5 DDBDRO C[C@@H]([NH3+])[C@@H](C)NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000381423079 325741907 /nfs/dbraw/zinc/74/19/07/325741907.db2.gz AXZWTPMDMQYXBR-RNFRBKRXSA-N 1 0 307.759 1.262 20 5 DDBDRO COc1ccc(C(=O)N[C@H](CC[NH3+])C(F)F)cc1[N+](=O)[O-] ZINC000383520632 325749894 /nfs/dbraw/zinc/74/98/94/325749894.db2.gz VFZLXDKFPQTMKH-MRVPVSSYSA-N 1 0 303.265 1.316 20 5 DDBDRO C[NH+](C)C1(CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000581775555 325914569 /nfs/dbraw/zinc/91/45/69/325914569.db2.gz DEDHQFXGASPVIP-UHFFFAOYSA-N 1 0 307.306 1.148 20 5 DDBDRO CC[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccncc1 ZINC000582778298 337153642 /nfs/dbraw/zinc/15/36/42/337153642.db2.gz PZTLDDIQPKLLLL-ZIAGYGMSSA-N 1 0 305.338 1.288 20 5 DDBDRO Nc1c(C(=O)N2CC[C@]3(C2)CCC[NH2+]C3)cc(F)cc1[N+](=O)[O-] ZINC000583873175 337366257 /nfs/dbraw/zinc/36/62/57/337366257.db2.gz FBBRWRLWHWBCMI-OAHLLOKOSA-N 1 0 322.340 1.532 20 5 DDBDRO [NH3+]CC[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)C(F)(F)F ZINC000307816194 484376266 /nfs/dbraw/zinc/37/62/66/484376266.db2.gz KYQMHFSCDSMINF-VIFPVBQESA-N 1 0 309.219 1.743 20 5 DDBDRO C[C@@H](O)[C@@H](CO)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000419807785 533791503 /nfs/dbraw/zinc/79/15/03/533791503.db2.gz JGQKTNLWBAYRKC-QMTHXVAHSA-N 1 0 306.318 1.686 20 5 DDBDRO COC(=O)c1cc(NC(=O)N(C)[C@H](C)C[NH3+])c(C)c([N+](=O)[O-])c1 ZINC000415600308 533865067 /nfs/dbraw/zinc/86/50/67/533865067.db2.gz NQEKVLSQMQMWRL-MRVPVSSYSA-N 1 0 324.337 1.501 20 5 DDBDRO COC(=O)c1cc(NC(=O)[C@H]([NH3+])C2CCC2)cc([N+](=O)[O-])c1 ZINC000423003513 533883942 /nfs/dbraw/zinc/88/39/42/533883942.db2.gz MOLXTVKPSIIYHY-GFCCVEGCSA-N 1 0 307.306 1.447 20 5 DDBDRO COc1cc(C[NH2+]C[C@]2(O)CCC[C@@H]2C)c([N+](=O)[O-])cc1O ZINC000293009847 533884709 /nfs/dbraw/zinc/88/47/09/533884709.db2.gz NVIAFXMYTJEFJR-ZUZCIYMTSA-N 1 0 310.350 1.950 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCC1([NH3+])CCC1 ZINC000415553723 534319928 /nfs/dbraw/zinc/31/99/28/534319928.db2.gz CFWOQNHVWLLCIX-UHFFFAOYSA-N 1 0 320.349 1.148 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H]1COCC1(C)C ZINC000451810516 534338711 /nfs/dbraw/zinc/33/87/11/534338711.db2.gz PBRFQBMABDEJJJ-ZDUSSCGKSA-N 1 0 307.350 1.856 20 5 DDBDRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000156572921 525020444 /nfs/dbraw/zinc/02/04/44/525020444.db2.gz KKPPTQDYNIIYOS-MNOVXSKESA-N 1 0 309.370 1.112 20 5 DDBDRO CC(C)(CO)[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CC1 ZINC000293000286 527216413 /nfs/dbraw/zinc/21/64/13/527216413.db2.gz IYQQWCVHHOXAFF-AWEZNQCLSA-N 1 0 321.377 1.580 20 5 DDBDRO CCO[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C[C@H]1C ZINC000451522230 527763177 /nfs/dbraw/zinc/76/31/77/527763177.db2.gz AWNKHJSKUMDDHU-TZMCWYRMSA-N 1 0 309.366 1.503 20 5 DDBDRO CC1(C)OCC[C@@H]1[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000295218710 527802959 /nfs/dbraw/zinc/80/29/59/527802959.db2.gz MXRIYJCDWKSVCI-FZMZJTMJSA-N 1 0 310.350 1.492 20 5 DDBDRO CCOC(=O)c1cc(C(=O)N[C@H](C[NH3+])C2CC2)cc([N+](=O)[O-])c1 ZINC000422857004 528154201 /nfs/dbraw/zinc/15/42/01/528154201.db2.gz GIROPNDIHMGXPZ-CYBMUJFWSA-N 1 0 321.333 1.239 20 5 DDBDRO CCCNC(=O)CC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447527596 528372889 /nfs/dbraw/zinc/37/28/89/528372889.db2.gz FKWNVLZZWAGRFV-QWHCGFSZSA-N 1 0 323.397 1.781 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000423533046 528611048 /nfs/dbraw/zinc/61/10/48/528611048.db2.gz WMIKUMPAONSBRM-LEWSCRJBSA-N 1 0 319.361 1.803 20 5 DDBDRO CCC([NH3+])(CC)CNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000417760952 528935089 /nfs/dbraw/zinc/93/50/89/528935089.db2.gz GSKPXWDBNSOAHJ-UHFFFAOYSA-N 1 0 308.382 1.954 20 5 DDBDRO O=[N+]([O-])c1ccnn1CN1CCC[N@H+](Cc2ccccc2)CC1 ZINC000123295192 696730555 /nfs/dbraw/zinc/73/05/55/696730555.db2.gz FGBNBTDOZCQMPJ-UHFFFAOYSA-N 1 0 315.377 1.957 20 5 DDBDRO C[C@@H]([NH2+]CC(=O)NCc1ccccn1)c1cccc([N+](=O)[O-])c1 ZINC000746048396 700003443 /nfs/dbraw/zinc/00/34/43/700003443.db2.gz HUUGSOHMROGPJM-GFCCVEGCSA-N 1 0 314.345 1.957 20 5 DDBDRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)c1cc(F)ccc1[N+](=O)[O-] ZINC000108298495 696633472 /nfs/dbraw/zinc/63/34/72/696633472.db2.gz NDQRTCFYLXDGDM-LBPRGKRZSA-N 1 0 307.325 1.948 20 5 DDBDRO O=[N+]([O-])c1ccc2c(cnn2CN2CC[NH+](C3CC3)CC2)c1 ZINC000129095281 696785035 /nfs/dbraw/zinc/78/50/35/696785035.db2.gz LJOUFXNWRJRXBA-UHFFFAOYSA-N 1 0 301.350 1.682 20 5 DDBDRO Cc1c(C(=O)NC[C@H]([NH3+])C2CC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000137506533 696858587 /nfs/dbraw/zinc/85/85/87/696858587.db2.gz IHDXOJRUARZBCO-NSHDSACASA-N 1 0 322.321 1.587 20 5 DDBDRO O=C1c2cccc([N+](=O)[O-])c2C(=O)N1CN1C[C@@H]2CCC[C@@H]2C1 ZINC000151199551 696881952 /nfs/dbraw/zinc/88/19/52/696881952.db2.gz XUBMSECNFPYIAJ-PHIMTYICSA-N 1 0 315.329 1.880 20 5 DDBDRO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000195157982 697732566 /nfs/dbraw/zinc/73/25/66/697732566.db2.gz CDONLMAPKWWTGA-NSHDSACASA-N 1 0 306.366 1.781 20 5 DDBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N[C@@H]1CCC[NH2+]C1 ZINC000237752213 697812257 /nfs/dbraw/zinc/81/22/57/697812257.db2.gz RSSWRDBPSJZXGF-SECBINFHSA-N 1 0 319.770 1.279 20 5 DDBDRO COCC1CC[NH+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)CC1 ZINC000749953333 700194478 /nfs/dbraw/zinc/19/44/78/700194478.db2.gz LSNWENWEXBSNMM-UHFFFAOYSA-N 1 0 319.365 1.964 20 5 DDBDRO C[N@H+](CCCn1ccnc1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776600682 698126036 /nfs/dbraw/zinc/12/60/36/698126036.db2.gz DNVQNBLFLNBELW-HNNXBMFYSA-N 1 0 304.350 1.847 20 5 DDBDRO O=[N+]([O-])c1ccc(Cl)c(CN2CC[C@@H](N3CC[NH2+]CC3)C2)c1 ZINC000262082803 698453779 /nfs/dbraw/zinc/45/37/79/698453779.db2.gz FMXMGBKNVGQLNI-CQSZACIVSA-N 1 0 324.812 1.728 20 5 DDBDRO Cc1nn(CN2CCN(Cc3ccsc3)CC2)cc1[N+](=O)[O-] ZINC000779858759 698476539 /nfs/dbraw/zinc/47/65/39/698476539.db2.gz AGMQFRAGBXWFIF-UHFFFAOYSA-N 1 0 321.406 1.937 20 5 DDBDRO Cc1c(C[NH+]2CCC3(CNC(=O)O3)CC2)cccc1[N+](=O)[O-] ZINC000781997718 698670933 /nfs/dbraw/zinc/67/09/33/698670933.db2.gz AMJSBSKREWNLKT-UHFFFAOYSA-N 1 0 305.334 1.978 20 5 DDBDRO Cc1cc(C(=O)NC[C@@H](C)[NH+]2CCCC2)c(N)c([N+](=O)[O-])c1 ZINC000729520144 699481263 /nfs/dbraw/zinc/48/12/63/699481263.db2.gz OKJCSOSGTPVDFN-LLVKDONJSA-N 1 0 306.366 1.700 20 5 DDBDRO C[N@@H+]1CC[C@H](C(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)C1 ZINC000729529338 699481840 /nfs/dbraw/zinc/48/18/40/699481840.db2.gz RNYHHSVENKTLKV-NSHDSACASA-N 1 0 315.333 1.875 20 5 DDBDRO CCN(CCC(=O)OC)Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000794633269 699820030 /nfs/dbraw/zinc/82/00/30/699820030.db2.gz SIBKMOWLQUQTOB-UHFFFAOYSA-N 1 0 323.305 1.345 20 5 DDBDRO Cc1nn(CN2C[C@H]([NH+]3CCCC3)C[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000795704713 699885120 /nfs/dbraw/zinc/88/51/20/699885120.db2.gz RCXMNHWHKSPJQO-SMDDNHRTSA-N 1 0 307.398 1.924 20 5 DDBDRO CN(CCCC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000801909090 700351679 /nfs/dbraw/zinc/35/16/79/700351679.db2.gz FCPUFYZWFFIGJQ-UHFFFAOYSA-N 1 0 312.345 1.730 20 5 DDBDRO COC(=O)C[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000754541057 700510010 /nfs/dbraw/zinc/51/00/10/700510010.db2.gz URKXKGHBUXSCMI-UONOGXRCSA-N 1 0 308.334 1.560 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](CO)C1CC1 ZINC000763089678 700925057 /nfs/dbraw/zinc/92/50/57/700925057.db2.gz ZUXFGJQIIDFJAM-CQSZACIVSA-N 1 0 307.350 1.592 20 5 DDBDRO CC(C)OC[C@@H](CO)[N@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000763876570 700951602 /nfs/dbraw/zinc/95/16/02/700951602.db2.gz UYGFDXFLXQIWBJ-HUUCEWRRSA-N 1 0 312.366 1.346 20 5 DDBDRO Cc1c(NC(=O)[C@@H](C)[NH2+][C@@H](CCO)C2CC2)cccc1[N+](=O)[O-] ZINC000771795218 701330734 /nfs/dbraw/zinc/33/07/34/701330734.db2.gz IQCBRAKWYRMEJJ-RISCZKNCSA-N 1 0 321.377 1.981 20 5 DDBDRO C[C@@]12C[NH+](Cc3cc(F)ccc3[N+](=O)[O-])C[C@@]1(C)C(=O)NC2=O ZINC000879157385 706602017 /nfs/dbraw/zinc/60/20/17/706602017.db2.gz IHSLXICEFONDCQ-GJZGRUSLSA-N 1 0 321.308 1.219 20 5 DDBDRO NC(=O)C[C@@H]1CC[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000808228582 701509508 /nfs/dbraw/zinc/50/95/08/701509508.db2.gz VAHXTMRUEOABJW-JTQLQIEISA-N 1 0 303.322 1.099 20 5 DDBDRO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839729426 701800860 /nfs/dbraw/zinc/80/08/60/701800860.db2.gz XWHYBZIWTHZGEZ-OWCLPIDISA-N 1 0 319.405 1.924 20 5 DDBDRO CO[C@H]1CCN(Cn2c3cc([N+](=O)[O-])ccc3oc2=O)C[C@H]1C ZINC000840121599 701981114 /nfs/dbraw/zinc/98/11/14/701981114.db2.gz AWGWMDUQEXIDBA-MFKMUULPSA-N 1 0 321.333 1.817 20 5 DDBDRO CC[NH+]1CCN(c2ccc(C(=O)OC[C@@H](C)[N+](=O)[O-])cc2)CC1 ZINC000813110913 702297402 /nfs/dbraw/zinc/29/74/02/702297402.db2.gz LVOYCXDGZYTLGI-CYBMUJFWSA-N 1 0 321.377 1.651 20 5 DDBDRO CN(C)c1cc(F)c(C(=O)NCC2([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000841454557 702454985 /nfs/dbraw/zinc/45/49/85/702454985.db2.gz CUDHPDJILZYQQE-UHFFFAOYSA-N 1 0 324.356 1.624 20 5 DDBDRO CC(C)(C)[C@H](C[NH3+])NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000818003595 702550207 /nfs/dbraw/zinc/55/02/07/702550207.db2.gz WPUNDEJKOHCXFQ-NSHDSACASA-N 1 0 310.310 1.606 20 5 DDBDRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000841856701 702589821 /nfs/dbraw/zinc/58/98/21/702589821.db2.gz AEZDXJALCGXPIF-UFBFGSQYSA-N 1 0 312.757 1.879 20 5 DDBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H](O)[C@H]1CCCO1 ZINC000866396131 706688850 /nfs/dbraw/zinc/68/88/50/706688850.db2.gz NLNPSVJEIVNPHY-VCTAVGKDSA-N 1 0 312.341 1.794 20 5 DDBDRO CC(C)C[C@@](C)(C[NH3+])NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000842723615 702763032 /nfs/dbraw/zinc/76/30/32/702763032.db2.gz WEXVGWMPIQPKEB-NSHDSACASA-N 1 0 321.424 1.698 20 5 DDBDRO Cc1cc(S(=O)(=O)NC[C@H]([NH3+])C(C)C)cc([N+](=O)[O-])c1F ZINC000842724486 702763052 /nfs/dbraw/zinc/76/30/52/702763052.db2.gz XNIVNRCEOUAONK-JTQLQIEISA-N 1 0 319.358 1.304 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCCCCC[NH3+] ZINC000843051371 702808708 /nfs/dbraw/zinc/80/87/08/702808708.db2.gz ZVPXULIQRMSRAU-UHFFFAOYSA-N 1 0 322.365 1.477 20 5 DDBDRO CC(C)C[C@@H](O)C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000843071359 702813445 /nfs/dbraw/zinc/81/34/45/702813445.db2.gz UTUXYRIICLXGFQ-GFCCVEGCSA-N 1 0 309.366 1.920 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@@H](CO)c2ccccc2)cc1 ZINC000843076991 702814658 /nfs/dbraw/zinc/81/46/58/702814658.db2.gz ONZQQLOOFFWLNX-DOTOQJQBSA-N 1 0 316.357 1.994 20 5 DDBDRO CN(Cc1c(Br)cccc1[N+](=O)[O-])C1C[NH2+]C1 ZINC000843124539 702824494 /nfs/dbraw/zinc/82/44/94/702824494.db2.gz GPTURRKFTULGQS-UHFFFAOYSA-N 1 0 300.156 1.761 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1-c1nc(CC2CC[NH2+]CC2)no1 ZINC000843135397 702826735 /nfs/dbraw/zinc/82/67/35/702826735.db2.gz WPAZWNJTNABJMF-UHFFFAOYSA-N 1 0 303.322 1.890 20 5 DDBDRO C[NH2+]C[C@H](C)c1nc(Cc2cc(OC)ccc2[N+](=O)[O-])no1 ZINC000843223813 702845574 /nfs/dbraw/zinc/84/55/74/702845574.db2.gz VZDJMWJEEQNOLJ-VIFPVBQESA-N 1 0 306.322 1.900 20 5 DDBDRO O=C(CO[C@H]1CCC[NH2+]C1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000843440343 702882770 /nfs/dbraw/zinc/88/27/70/702882770.db2.gz XFPAFORLXWPULA-NSHDSACASA-N 1 0 305.334 1.253 20 5 DDBDRO Cc1cc(F)cc(C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)c1[N+](=O)[O-] ZINC000843482411 702890649 /nfs/dbraw/zinc/89/06/49/702890649.db2.gz WMUCZRDYTPPCLN-GXFFZTMASA-N 1 0 307.325 1.866 20 5 DDBDRO COCCN(CC[NH+](C)C)C(=O)c1cc(C)cc([N+](=O)[O-])c1N ZINC000843791243 702924695 /nfs/dbraw/zinc/92/46/95/702924695.db2.gz PXICLKXFRNVFIZ-UHFFFAOYSA-N 1 0 324.381 1.136 20 5 DDBDRO Cc1nn(CCC(=O)O[C@@H](C)C[NH+]2CCCC2)c(C)c1[N+](=O)[O-] ZINC000845667314 703188303 /nfs/dbraw/zinc/18/83/03/703188303.db2.gz DKJHNNAGXHRFBJ-NSHDSACASA-N 1 0 324.381 1.826 20 5 DDBDRO COCC[NH2+]C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000846687493 703317409 /nfs/dbraw/zinc/31/74/09/703317409.db2.gz PMZHTCBSYNLLRJ-UHFFFAOYSA-N 1 0 322.365 1.018 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000847182763 703385602 /nfs/dbraw/zinc/38/56/02/703385602.db2.gz DPPVQYQFCDDXJV-BJHJDKERSA-N 1 0 320.393 1.731 20 5 DDBDRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])C1 ZINC000847183523 703385837 /nfs/dbraw/zinc/38/58/37/703385837.db2.gz ONCFDIJKSANZTM-DTORHVGOSA-N 1 0 313.304 1.943 20 5 DDBDRO C[C@H]([NH2+][C@H]1CCc2c(nnn2C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000848565499 703563509 /nfs/dbraw/zinc/56/35/09/703563509.db2.gz XLYXOCVLOORSJC-ONGXEEELSA-N 1 0 316.365 1.514 20 5 DDBDRO O=C(CCN1C[C@@H]2C[C@H]1C[NH2+]2)Nc1cc([N+](=O)[O-])ccc1F ZINC000866677429 706761747 /nfs/dbraw/zinc/76/17/47/706761747.db2.gz IZSPSWJPOPJWQG-ONGXEEELSA-N 1 0 308.313 1.109 20 5 DDBDRO CON(C)CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000850480226 703733120 /nfs/dbraw/zinc/73/31/20/703733120.db2.gz NFEYFDHAMDDTDX-UHFFFAOYSA-N 1 0 308.382 1.646 20 5 DDBDRO Cc1c(C(=O)N2C[C@H](C[NH3+])C[C@H]2C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000818563453 703927006 /nfs/dbraw/zinc/92/70/06/703927006.db2.gz MJNYUULYAYUBAD-SCZZXKLOSA-N 1 0 322.321 1.621 20 5 DDBDRO O=C(CN1CCC[C@H]2[NH2+]CC[C@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000866721748 706775766 /nfs/dbraw/zinc/77/57/66/706775766.db2.gz YMQDNUYUIXUGHH-DGCLKSJQSA-N 1 0 304.350 1.360 20 5 DDBDRO Cc1c(C(=O)N[C@@H](C[NH3+])C(C)(C)C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000818614050 703942295 /nfs/dbraw/zinc/94/22/95/703942295.db2.gz OPIVRSLVWDWINX-LBPRGKRZSA-N 1 0 324.337 1.915 20 5 DDBDRO C[C@H](C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)Cn1cccn1 ZINC000818961351 704035297 /nfs/dbraw/zinc/03/52/97/704035297.db2.gz QCYOISGFGGPAQA-IUODEOHRSA-N 1 0 304.350 1.751 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)CNC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000818986351 704043881 /nfs/dbraw/zinc/04/38/81/704043881.db2.gz MDRQUWGJTPBOFQ-BZUAXINKSA-N 1 0 321.377 1.081 20 5 DDBDRO COCCN1CCC[C@H]1C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819018841 704052798 /nfs/dbraw/zinc/05/27/98/704052798.db2.gz YNOSNRDUXYMBEC-JKSUJKDBSA-N 1 0 323.393 1.329 20 5 DDBDRO CC(C)OC(=O)CCC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819233525 704091402 /nfs/dbraw/zinc/09/14/02/704091402.db2.gz BLZKMEVVZNWXAJ-AWEZNQCLSA-N 1 0 310.350 1.950 20 5 DDBDRO Cc1nccnc1CC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819335112 704109087 /nfs/dbraw/zinc/10/90/87/704109087.db2.gz RQBLJAFICAJERJ-HNNXBMFYSA-N 1 0 302.334 1.559 20 5 DDBDRO [NH3+]CC12CC(C1)CN2C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000852857888 704150504 /nfs/dbraw/zinc/15/05/04/704150504.db2.gz IXBXQTTWJXKYBT-UHFFFAOYSA-N 1 0 306.278 1.066 20 5 DDBDRO [NH3+]C[C@@H]1CC(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)=NO1 ZINC000852884384 704160084 /nfs/dbraw/zinc/16/00/84/704160084.db2.gz WVMJUIUVIMADFX-ZDUSSCGKSA-N 1 0 318.333 1.189 20 5 DDBDRO Cn1c(C(=O)N2CC[C@@](C[NH3+])(C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000870995511 704195749 /nfs/dbraw/zinc/19/57/49/704195749.db2.gz ONBXORZWXBHAGM-HNNXBMFYSA-N 1 0 308.382 1.770 20 5 DDBDRO CCN(C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C)C1 ZINC000855360254 704480614 /nfs/dbraw/zinc/48/06/14/704480614.db2.gz DFCZGCNYHHGSFU-ZIAGYGMSSA-N 1 0 307.350 1.181 20 5 DDBDRO Cc1nc([N+](=O)[O-])c(-c2noc([C@@H]3C[C@]34CC[NH2+]C4)n2)n1C ZINC000823094655 705137597 /nfs/dbraw/zinc/13/75/97/705137597.db2.gz SIJUTGBHZNHXKZ-SDBXPKJASA-N 1 0 304.310 1.154 20 5 DDBDRO [NH3+]C[C@@H]1CC[C@H](NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000825196341 705621787 /nfs/dbraw/zinc/62/17/87/705621787.db2.gz DIXBYPHIXFPBDG-PWSUYJOCSA-N 1 0 317.349 1.188 20 5 DDBDRO CC[NH+]1CCN(c2cc(N(C)C(C)=O)cc([N+](=O)[O-])c2)CC1 ZINC000876230919 705667135 /nfs/dbraw/zinc/66/71/35/705667135.db2.gz MFTLUWGXYWUMLE-UHFFFAOYSA-N 1 0 306.366 1.719 20 5 DDBDRO C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000876680255 705815884 /nfs/dbraw/zinc/81/58/84/705815884.db2.gz BFVSPCQZNNGFNC-HJHBSRAZSA-N 1 0 303.362 1.665 20 5 DDBDRO C[N@@H+]1CC[C@H]2CN(C(=O)Cc3cccc(F)c3[N+](=O)[O-])CC[C@@H]21 ZINC000827234540 705957333 /nfs/dbraw/zinc/95/73/33/705957333.db2.gz YIUJSOWODZCCQP-JSGCOSHPSA-N 1 0 321.352 1.829 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N(C)C[C@H](C)[NH3+] ZINC000863565580 705959041 /nfs/dbraw/zinc/95/90/41/705959041.db2.gz NOYMPYGTOCMCQR-UWVGGRQHSA-N 1 0 310.354 1.209 20 5 DDBDRO CC1(C)[C@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)[C@H]2CCO[C@H]21 ZINC000877058971 705974095 /nfs/dbraw/zinc/97/40/95/705974095.db2.gz HYLMAOQJCOBWRV-CLYBQGAHSA-N 1 0 306.366 1.898 20 5 DDBDRO CC1(C)CC[C@H](CNC(=O)COc2cccc([N+](=O)[O-])c2)[NH2+]C1 ZINC000877157848 706001692 /nfs/dbraw/zinc/00/16/92/706001692.db2.gz VXJVNRLDWVBMGC-GFCCVEGCSA-N 1 0 321.377 1.868 20 5 DDBDRO O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000877265929 706040910 /nfs/dbraw/zinc/04/09/10/706040910.db2.gz LPTHKOYCYIZZHJ-ZWNOBZJWSA-N 1 0 307.325 1.948 20 5 DDBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877285559 706048535 /nfs/dbraw/zinc/04/85/35/706048535.db2.gz VHIXTQZJONHTKJ-GXTWGEPZSA-N 1 0 318.377 1.750 20 5 DDBDRO Cn1nccc1CC[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000877364190 706082252 /nfs/dbraw/zinc/08/22/52/706082252.db2.gz VQTPJLKYXACKKV-UHFFFAOYSA-N 1 0 301.306 1.802 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000877371046 706083806 /nfs/dbraw/zinc/08/38/06/706083806.db2.gz KKFJRWIZZJQKLK-BLLLJJGKSA-N 1 0 303.362 1.893 20 5 DDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@@H]([C@H](CO)C3CC3)C3CC3)C2)c1 ZINC000877566842 706144439 /nfs/dbraw/zinc/14/44/39/706144439.db2.gz RDZPTMTVXGEQFK-BCAXMMLOSA-N 1 0 320.393 1.882 20 5 DDBDRO O=C(Cc1cccc(F)c1[N+](=O)[O-])NCCCn1ccnc1 ZINC000864413786 706160536 /nfs/dbraw/zinc/16/05/36/706160536.db2.gz UJVPAAQXIMSLNA-UHFFFAOYSA-N 1 0 306.297 1.679 20 5 DDBDRO NC(=O)[C@H](F)C1CCN(Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000879040181 706569793 /nfs/dbraw/zinc/56/97/93/706569793.db2.gz AXQBILLXDBJNAM-CYBMUJFWSA-N 1 0 313.304 1.769 20 5 DDBDRO CCO[C@@H](CNC(=O)Nc1ccc(C)c([N+](=O)[O-])c1)C[NH+](C)C ZINC000926826079 712908097 /nfs/dbraw/zinc/90/80/97/712908097.db2.gz WSYJAOBWUIQEKH-ZDUSSCGKSA-N 1 0 324.381 1.991 20 5 DDBDRO O=[N+]([O-])c1ccc(OCCN2C[C@@H]3CCC[N@H+]3C[C@@H]2CO)cc1 ZINC000880069691 706869765 /nfs/dbraw/zinc/86/97/65/706869765.db2.gz UJPUGFWKCZMJDK-LSDHHAIUSA-N 1 0 321.377 1.115 20 5 DDBDRO C[C@@H]1c2sccc2CC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000880377834 706956459 /nfs/dbraw/zinc/95/64/59/706956459.db2.gz GMMNFRWPBVZAQK-ZWNOBZJWSA-N 1 0 322.390 1.833 20 5 DDBDRO C[C@H]([NH3+])[C@@H]1CN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CCO1 ZINC000834317682 707029388 /nfs/dbraw/zinc/02/93/88/707029388.db2.gz ZFVKGSFMLUXUNP-UFBFGSQYSA-N 1 0 313.741 1.436 20 5 DDBDRO C[C@@H]([NH2+]C[C@H]1CCCN1CCCO)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834851561 707138710 /nfs/dbraw/zinc/13/87/10/707138710.db2.gz ZNSKQJCHWGVXDI-TZMCWYRMSA-N 1 0 322.409 1.674 20 5 DDBDRO CC(C)[N@@H+]1CCCC[C@H]1COC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000837414257 707640869 /nfs/dbraw/zinc/64/08/69/707640869.db2.gz RYZCAMDXZOZNTQ-LBPRGKRZSA-N 1 0 310.354 1.597 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H]1CCCS(=O)(=O)C1 ZINC000873054752 707711710 /nfs/dbraw/zinc/71/17/10/707711710.db2.gz VPWQEVQZAGZGIH-GFCCVEGCSA-N 1 0 312.391 1.878 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC[C@H]([NH2+]C3CCOCC3)C2)cn1 ZINC000882725831 707762648 /nfs/dbraw/zinc/76/26/48/707762648.db2.gz BUWHWDWPAIGLSR-ZDUSSCGKSA-N 1 0 306.366 1.727 20 5 DDBDRO O=[N+]([O-])c1ccc(C[NH2+]CC[C@H]2CCCS2(=O)=O)c(F)c1 ZINC000883298272 707969003 /nfs/dbraw/zinc/96/90/03/707969003.db2.gz NIPUUEVXAQZLIM-GFCCVEGCSA-N 1 0 316.354 1.791 20 5 DDBDRO CCN1CC[C@@H]1C[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000883353814 707983114 /nfs/dbraw/zinc/98/31/14/707983114.db2.gz DXMQUAORUMOIJM-SWLSCSKDSA-N 1 0 320.393 1.996 20 5 DDBDRO C[C@@H]1CN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCCO3)CC[NH2+]1 ZINC000884030931 708109948 /nfs/dbraw/zinc/10/99/48/708109948.db2.gz AXADUNOVXKPBGP-SNVBAGLBSA-N 1 0 321.333 1.190 20 5 DDBDRO C[N@@H+]1C[C@@H]2CN(c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)C[C@]2(C)C1 ZINC000896912163 708180482 /nfs/dbraw/zinc/18/04/82/708180482.db2.gz QCLZIVWBWRPYOS-YGRLFVJLSA-N 1 0 306.322 1.891 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000897222771 708260397 /nfs/dbraw/zinc/26/03/97/708260397.db2.gz XMKVGCYVANMTET-UONOGXRCSA-N 1 0 305.378 1.939 20 5 DDBDRO COC(=O)[C@@H]1CC12CC[NH+](Cc1cccnc1[N+](=O)[O-])CC2 ZINC000886010941 708681722 /nfs/dbraw/zinc/68/17/22/708681722.db2.gz SWVFQBUHERIZCS-LBPRGKRZSA-N 1 0 305.334 1.765 20 5 DDBDRO CC(C)(O)C[N@H+](Cc1cccnc1[N+](=O)[O-])C1CCOCC1 ZINC000886036048 708686494 /nfs/dbraw/zinc/68/64/94/708686494.db2.gz SOWNNFZUDXTQRI-UHFFFAOYSA-N 1 0 309.366 1.742 20 5 DDBDRO O=[N+]([O-])c1ncccc1C[NH2+][C@@H]([C@@H]1CCCO1)C1(CO)CCC1 ZINC000886273750 708734241 /nfs/dbraw/zinc/73/42/41/708734241.db2.gz GBTMUOKAVPXDSJ-KBPBESRZSA-N 1 0 321.377 1.790 20 5 DDBDRO [NH3+]C[C@@H]1CN(Cc2cccnc2[N+](=O)[O-])CC[C@@H]1C(F)(F)F ZINC000886841857 708859456 /nfs/dbraw/zinc/85/94/56/708859456.db2.gz YNFYKUCCODILLF-MNOVXSKESA-N 1 0 318.299 1.949 20 5 DDBDRO CCN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H]1CC[NH2+]C1 ZINC000886854266 708864862 /nfs/dbraw/zinc/86/48/62/708864862.db2.gz HOYRDSMTPHCVKO-CYBMUJFWSA-N 1 0 317.349 1.829 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H]1C[C@@H]([NH+](C)C)C12CCC2 ZINC000898842707 708886811 /nfs/dbraw/zinc/88/68/11/708886811.db2.gz XDPLACJXKHULKT-NWDGAFQWSA-N 1 0 321.381 1.089 20 5 DDBDRO O=C(Cc1cccc(F)c1[N+](=O)[O-])N1CCC([NH+]2CCC2)CC1 ZINC000912870613 713112156 /nfs/dbraw/zinc/11/21/56/713112156.db2.gz BGGLIWUZNJFWQU-UHFFFAOYSA-N 1 0 321.352 1.973 20 5 DDBDRO O=C(Nc1ccc([N+](=O)[O-])cc1F)N[C@]12CCC[C@H]1C[NH2+]C2 ZINC000900487447 709619329 /nfs/dbraw/zinc/61/93/29/709619329.db2.gz ITNACVIYTWTWPL-XPTSAGLGSA-N 1 0 308.313 1.998 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)N2CC[C@@H]([NH+]3CCC3)C2)c1[N+](=O)[O-] ZINC000912912660 713122169 /nfs/dbraw/zinc/12/21/69/713122169.db2.gz CNXAHJUEVUKDBU-SNVBAGLBSA-N 1 0 307.354 1.362 20 5 DDBDRO Cc1c(CNC(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)cccc1[N+](=O)[O-] ZINC000891850010 710309139 /nfs/dbraw/zinc/30/91/39/710309139.db2.gz WUQVBYXZYGLGFJ-UKRRQHHQSA-N 1 0 318.377 1.939 20 5 DDBDRO Cc1ccc(CNC(=O)N[C@@H]2CC[NH2+][C@H](C)C2)cc1[N+](=O)[O-] ZINC000892096664 710371421 /nfs/dbraw/zinc/37/14/21/710371421.db2.gz JMZWLNXHHSYGLV-DGCLKSJQSA-N 1 0 306.366 1.843 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@]1(C)C[NH+]2CCC1CC2 ZINC000892797603 710501638 /nfs/dbraw/zinc/50/16/38/710501638.db2.gz QACURZYKVHTPDZ-INIZCTEOSA-N 1 0 319.361 1.818 20 5 DDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)n1 ZINC000902466844 710762997 /nfs/dbraw/zinc/76/29/97/710762997.db2.gz NOAIUIDKPKGYHQ-XVIXHAIJSA-N 1 0 305.382 1.758 20 5 DDBDRO CN(C(=O)CCc1cc(F)ccc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000911691608 710932549 /nfs/dbraw/zinc/93/25/49/710932549.db2.gz CCRNEFZFHTZGIH-UHFFFAOYSA-N 1 0 309.341 1.877 20 5 DDBDRO COc1cc([C@@H](C)[NH2+]CCCN2CCOCC2)cc([N+](=O)[O-])c1 ZINC000903056423 711018799 /nfs/dbraw/zinc/01/87/99/711018799.db2.gz UQDXIXAZQYVZQO-CYBMUJFWSA-N 1 0 323.393 1.976 20 5 DDBDRO O=C(NCCNc1ccccc1[N+](=O)[O-])C12CCC(CC1)[NH2+]2 ZINC000912112183 711177947 /nfs/dbraw/zinc/17/79/47/711177947.db2.gz CBTFDODLQYTEQK-UHFFFAOYSA-N 1 0 304.350 1.408 20 5 DDBDRO C[C@H]1[NH2+]CCn2c(C(=O)NCc3cccc([N+](=O)[O-])c3)ccc21 ZINC000912262713 711250328 /nfs/dbraw/zinc/25/03/28/711250328.db2.gz YUMDGPJIJPBYBO-LLVKDONJSA-N 1 0 314.345 1.991 20 5 DDBDRO C[NH+](C)C[C@@]1(O)CCN(c2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000895009483 711365011 /nfs/dbraw/zinc/36/50/11/711365011.db2.gz AKGVFHFRVJVXKO-HNNXBMFYSA-N 1 0 317.349 1.041 20 5 DDBDRO O=C1N(CC[NH2+]Cc2ccccc2[N+](=O)[O-])C[C@H]2CCCCN12 ZINC000895344160 711490208 /nfs/dbraw/zinc/49/02/08/711490208.db2.gz UPOAOSPAKACDBP-CQSZACIVSA-N 1 0 318.377 1.975 20 5 DDBDRO CCN1CC[C@H]1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000895670907 711574170 /nfs/dbraw/zinc/57/41/70/711574170.db2.gz IMTOMDRWTOMXLE-HNNXBMFYSA-N 1 0 319.409 1.642 20 5 DDBDRO COc1ccc2ncc([N+](=O)[O-])c(NC[C@@H]3CC[N@@H+]3C)c2c1 ZINC000895768125 711600670 /nfs/dbraw/zinc/60/06/70/711600670.db2.gz WUCDQCWBOVWUCZ-JTQLQIEISA-N 1 0 302.334 1.690 20 5 DDBDRO C[C@H](NCC[N+](=O)[O-])c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000905084054 711931205 /nfs/dbraw/zinc/93/12/05/711931205.db2.gz YTPLNLHSBANVKW-LBPRGKRZSA-N 1 0 310.373 1.505 20 5 DDBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@H]2COC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000905864732 712169146 /nfs/dbraw/zinc/16/91/46/712169146.db2.gz FTAJOIXJCNTKFP-GAFUQQFSSA-N 1 0 307.350 1.855 20 5 DDBDRO C[C@H](NC(=O)C[C@@]1(O)CCC[N@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000908512399 712793479 /nfs/dbraw/zinc/79/34/79/712793479.db2.gz LCRNYMGACGYMND-LRDDRELGSA-N 1 0 321.377 1.619 20 5 DDBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+][C@@H]1COC[C@@H]1C1CC1)OCCO2 ZINC000914433374 713394989 /nfs/dbraw/zinc/39/49/89/713394989.db2.gz OKWNYJZTDFRPHZ-CHWSQXEVSA-N 1 0 320.345 1.881 20 5 DDBDRO CC(C)(C)[NH2+]CCC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000929408801 713604715 /nfs/dbraw/zinc/60/47/15/713604715.db2.gz VWSKDNYTRYZQII-UHFFFAOYSA-N 1 0 308.382 1.901 20 5 DDBDRO CC(C)(C)OC(=O)NCC[C@H]1CCC[N@H+](CC[N+](=O)[O-])C1 ZINC000930328132 713804854 /nfs/dbraw/zinc/80/48/54/713804854.db2.gz ZKDCHSXRAGRBNY-GFCCVEGCSA-N 1 0 301.387 1.890 20 5 DDBDRO C[N@@H+]1CC[C@H](CNC(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000930361980 713813992 /nfs/dbraw/zinc/81/39/92/713813992.db2.gz AWGXOEAAVUAMEK-UGFHNGPFSA-N 1 0 303.362 1.766 20 5 DDBDRO Cc1ccc(C[NH2+]Cc2cnc3n2CCOC3)cc1[N+](=O)[O-] ZINC000922316148 714018857 /nfs/dbraw/zinc/01/88/57/714018857.db2.gz JUGYDCVEFOCLNP-UHFFFAOYSA-N 1 0 302.334 1.920 20 5 DDBDRO C[NH+]1C[C@]2(C)CN(C[C@H](O)c3ccc([N+](=O)[O-])cc3)C[C@@]2(C)C1 ZINC000931311821 714062468 /nfs/dbraw/zinc/06/24/68/714062468.db2.gz PPYRQDFKJMZAMU-GVDBMIGSSA-N 1 0 319.405 1.902 20 5 DDBDRO Cc1c(C[NH2+][C@@H]2CCc3nnn(C)c3C2)cccc1[N+](=O)[O-] ZINC000922991530 714206048 /nfs/dbraw/zinc/20/60/48/714206048.db2.gz IMMIIBPGXREWGU-GFCCVEGCSA-N 1 0 301.350 1.679 20 5 DDBDRO C[N@@H+]1CCC[C@H](NC(=O)CCc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000932072782 714252602 /nfs/dbraw/zinc/25/26/02/714252602.db2.gz ZJUJYOCVVYEWFS-ZDUSSCGKSA-N 1 0 309.341 1.877 20 5 DDBDRO O=[N+]([O-])CC[NH2+][C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F ZINC000932073972 714252713 /nfs/dbraw/zinc/25/27/13/714252713.db2.gz ZXPBGZCIQCXYSO-CHWSQXEVSA-N 1 0 317.311 1.916 20 5 DDBDRO COC[C@@H](C)OC[C@@H](O)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000932178369 714279876 /nfs/dbraw/zinc/27/98/76/714279876.db2.gz ZMVNOKNCWLRJBS-JMSVASOKSA-N 1 0 312.366 1.658 20 5 DDBDRO C[NH2+]C1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000923285667 714297768 /nfs/dbraw/zinc/29/77/68/714297768.db2.gz CMTLHLMAZRGVRU-ZDUSSCGKSA-N 1 0 309.366 1.018 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)CN(C1CC1)[C@H]1CC[NH2+]C1 ZINC000923328768 714316108 /nfs/dbraw/zinc/31/61/08/714316108.db2.gz CTUGFSJHHURMDF-UONOGXRCSA-N 1 0 321.377 1.161 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)CN2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000923365517 714329210 /nfs/dbraw/zinc/32/92/10/714329210.db2.gz FPXUHMOQXRDEPK-HOTGVXAUSA-N 1 0 305.378 1.704 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)CN2CC[NH2+]CCC23CCC3)c1 ZINC000923426550 714352163 /nfs/dbraw/zinc/35/21/63/714352163.db2.gz NZNVBGOXSOGTTQ-OAHLLOKOSA-N 1 0 305.378 1.846 20 5 DDBDRO Cn1cc(C[NH2+][C@](C)(CO)Cc2ccccc2F)c([N+](=O)[O-])n1 ZINC000933426928 714586020 /nfs/dbraw/zinc/58/60/20/714586020.db2.gz CCCBQQQKBRGWMX-HNNXBMFYSA-N 1 0 322.340 1.551 20 5 DDBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Cn2c(C)ncc2[N+](=O)[O-])[C@@H](C)C1 ZINC000933440021 714589608 /nfs/dbraw/zinc/58/96/08/714589608.db2.gz XDMBIQLHULEGAH-WCQYABFASA-N 1 0 323.397 1.288 20 5 DDBDRO NC(=O)[C@]12CCC[C@H]1C[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])C2 ZINC000933760088 714666006 /nfs/dbraw/zinc/66/60/06/714666006.db2.gz OIKGAUTZLHWKBD-NHYWBVRUSA-N 1 0 307.325 1.821 20 5 DDBDRO CCOc1cc(C[N@H+](CC)CCC(=O)NC)ccc1[N+](=O)[O-] ZINC000933863441 714686139 /nfs/dbraw/zinc/68/61/39/714686139.db2.gz YYONNMFPWIKWHV-UHFFFAOYSA-N 1 0 309.366 1.952 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCCSC[C@H]1C1CC1 ZINC000933913349 714700667 /nfs/dbraw/zinc/70/06/67/714700667.db2.gz BJAZEUOXMAKSPM-AWEZNQCLSA-N 1 0 323.418 1.974 20 5 DDBDRO Cc1ccc(CN2CCN(C)CC[N@@H+](C)CC2)cc1[N+](=O)[O-] ZINC000933993911 714717723 /nfs/dbraw/zinc/71/77/23/714717723.db2.gz RRQKCMNAAWPFBK-UHFFFAOYSA-N 1 0 306.410 1.582 20 5 DDBDRO CN(CC[NH+](C)C)C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC000934007704 714721434 /nfs/dbraw/zinc/72/14/34/714721434.db2.gz IPJGVVYVLCAZHH-UHFFFAOYSA-N 1 0 318.736 1.603 20 5 DDBDRO O=C1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CCCCCN1 ZINC000934160818 714757564 /nfs/dbraw/zinc/75/75/64/714757564.db2.gz CHLMFGJDDBXMPT-UHFFFAOYSA-N 1 0 321.377 1.966 20 5 DDBDRO Cc1c(CN2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)cccc1[N+](=O)[O-] ZINC000934257978 714777497 /nfs/dbraw/zinc/77/74/97/714777497.db2.gz KSAIBTGNYBTRMG-DLBZAZTESA-N 1 0 319.405 1.934 20 5 DDBDRO C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)C2 ZINC000935665236 715113315 /nfs/dbraw/zinc/11/33/15/715113315.db2.gz AHFWTPCCFAAKEY-HUUCEWRRSA-N 1 0 315.373 1.862 20 5 DDBDRO O=[N+]([O-])c1cnc(N2CCN3CC[NH2+]C[C@@H]3C2)c2ccccc21 ZINC001164398933 718833030 /nfs/dbraw/zinc/83/30/30/718833030.db2.gz MKGLQRLHDHYDBT-GFCCVEGCSA-N 1 0 313.361 1.237 20 5 DDBDRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1cccc([N+](=O)[O-])n1 ZINC001164932526 721853727 /nfs/dbraw/zinc/85/37/27/721853727.db2.gz YQVAGGKZVBCUMK-CHWSQXEVSA-N 1 0 305.382 1.204 20 5 DDBDRO COC(=O)c1cnc(N(C)CC2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000276761918 721932457 /nfs/dbraw/zinc/93/24/57/721932457.db2.gz JAHRQUHFWRBSPO-UHFFFAOYSA-N 1 0 322.365 1.554 20 5 DDBDRO Cc1cc(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)ncn1 ZINC001125761467 735532618 /nfs/dbraw/zinc/53/26/18/735532618.db2.gz KUJMJIOAZMJBDL-UHFFFAOYSA-N 1 0 315.333 1.213 20 5 DDBDRO O=[N+]([O-])c1cnc(-n2ccnc2[C@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001167056960 732365729 /nfs/dbraw/zinc/36/57/29/732365729.db2.gz RBXGMXRFKSQOIE-VIFPVBQESA-N 1 0 318.293 1.551 20 5 DDBDRO CC(C)CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001121087803 782350966 /nfs/dbraw/zinc/35/09/66/782350966.db2.gz UVJAINXEUSFUFD-QAALLOGESA-N 1 0 309.410 1.715 20 5 DDBDRO CC[N@@H+]1CC[C@H](N(C)c2nnc([C@@H](C)[N+](=O)[O-])n2C)[C@@H](C)C1 ZINC001121389460 782487466 /nfs/dbraw/zinc/48/74/66/782487466.db2.gz SBVMYGZGDPWITD-TUAOUCFPSA-N 1 0 310.402 1.319 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H]2CCCC[C@@H]2[NH+](C)C)n1 ZINC001125881139 737318238 /nfs/dbraw/zinc/31/82/38/737318238.db2.gz SVUFGBSPYUIVRK-JSGCOSHPSA-N 1 0 306.366 1.901 20 5 DDBDRO CC(C)(O)CC(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001126476903 740316396 /nfs/dbraw/zinc/31/63/96/740316396.db2.gz KSRLESQPSFTLDO-UHFFFAOYSA-N 1 0 301.368 1.023 20 5 DDBDRO COC(=O)Cc1ccc(N[C@H]2C[NH2+]CC[C@H]2F)cc1[N+](=O)[O-] ZINC001168232457 741834313 /nfs/dbraw/zinc/83/43/13/741834313.db2.gz ZIIULFDYCARIKC-NEPJUHHUSA-N 1 0 311.313 1.422 20 5 DDBDRO O=C(CC1(O)CCC1)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001126848022 742371255 /nfs/dbraw/zinc/37/12/55/742371255.db2.gz JSOWFWANQVXKKN-UHFFFAOYSA-N 1 0 307.350 1.106 20 5 DDBDRO Cc1cc(C)c(C[NH2+]CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c(C)c1 ZINC001126932085 742775939 /nfs/dbraw/zinc/77/59/39/742775939.db2.gz HPNXDAXXAYPIRB-UKRRQHHQSA-N 1 0 305.378 1.483 20 5 DDBDRO C[N@@H+]1C[C@@]23CN(C(=O)c4cc([N+](=O)[O-])c[nH]4)C[C@]2(C1)CCCC3 ZINC001181505456 743215399 /nfs/dbraw/zinc/21/53/99/743215399.db2.gz ILRHDIZMAWAXRE-IYBDPMFKSA-N 1 0 318.377 1.871 20 5 DDBDRO CC1(C)CC(C[NH+]2CCC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)C1 ZINC001002789616 743419789 /nfs/dbraw/zinc/41/97/89/743419789.db2.gz WBWWFBPNMLWRES-ZIAGYGMSSA-N 1 0 309.410 1.668 20 5 DDBDRO CCN(CCNc1ccccc1[N+](=O)[O-])C(=O)Cc1ncc[nH]1 ZINC001106829265 746272535 /nfs/dbraw/zinc/27/25/35/746272535.db2.gz KJPWDXLPCKCLES-UHFFFAOYSA-N 1 0 317.349 1.821 20 5 DDBDRO CCN(CCNc1ccc([N+](=O)[O-])cn1)C(=O)CC[NH+](C)C ZINC001106946205 748214976 /nfs/dbraw/zinc/21/49/76/748214976.db2.gz AKRMCTUFCRRGRU-UHFFFAOYSA-N 1 0 309.370 1.202 20 5 DDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+][C@@H](CO)COCc2ccccc2)C1 ZINC001168979822 762147395 /nfs/dbraw/zinc/14/73/95/762147395.db2.gz BIXWAXXXAQIXBA-XHSDSOJGSA-N 1 0 308.378 1.599 20 5 DDBDRO COc1ccc(C2([NH2+][C@H]3CC[C@H](C[N+](=O)[O-])C3)COC2)cc1 ZINC001168974673 762164095 /nfs/dbraw/zinc/16/40/95/762164095.db2.gz SFTMDLWUYUSCCQ-JSGCOSHPSA-N 1 0 306.362 1.956 20 5 DDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2cc(OC3COC3)ccn2)C1 ZINC001168975804 762164819 /nfs/dbraw/zinc/16/48/19/762164819.db2.gz XHKCXDMLWRSHTK-RYUDHWBXSA-N 1 0 307.350 1.394 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H]2CCN(Cc3ccncc3)C2)C1 ZINC001168994596 762167746 /nfs/dbraw/zinc/16/77/46/762167746.db2.gz QFZPQKMJZTTXDC-PMPSAXMXSA-N 1 0 304.394 1.691 20 5 DDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+][C@H]2CCN(Cc3ccncc3)C2)C1 ZINC001168994597 762168031 /nfs/dbraw/zinc/16/80/31/762168031.db2.gz QFZPQKMJZTTXDC-XHSDSOJGSA-N 1 0 304.394 1.691 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCN(Cc3cccnc3)CC2)C1 ZINC001169009698 762177999 /nfs/dbraw/zinc/17/79/99/762177999.db2.gz XHNXMEIAZKBSRF-GDBMZVCRSA-N 1 0 304.394 1.645 20 5 DDBDRO O=C(C1CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1)N1CCCC1 ZINC001169027118 762183211 /nfs/dbraw/zinc/18/32/11/762183211.db2.gz PEBQPGODMQBGEL-DZGCQCFKSA-N 1 0 309.410 1.766 20 5 DDBDRO Cc1ccc(N2CC[NH+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)nc1 ZINC001169037235 762192603 /nfs/dbraw/zinc/19/26/03/762192603.db2.gz RGWNCWDKZKFRIK-HUUCEWRRSA-N 1 0 304.394 1.957 20 5 DDBDRO O=C(NC1CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1)N1CCCC1 ZINC001169042088 762195732 /nfs/dbraw/zinc/19/57/32/762195732.db2.gz CUDDIDYOIABSQZ-ZFWWWQNUSA-N 1 0 324.425 1.702 20 5 DDBDRO O=C(N[C@@H]1CCC[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1)N1CCCC1 ZINC001169052081 762207187 /nfs/dbraw/zinc/20/71/87/762207187.db2.gz FXEDJRAZTCIFLJ-ZNMIVQPWSA-N 1 0 324.425 1.702 20 5 DDBDRO COc1cnc(N2CC[NH+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)nc1 ZINC001169057682 762211015 /nfs/dbraw/zinc/21/10/15/762211015.db2.gz XAHYSNAJCRYHDG-OLZOCXBDSA-N 1 0 321.381 1.053 20 5 DDBDRO COC(=O)c1n[nH]cc1Nc1cc2c(cc1[N+](=O)[O-])C[NH2+]C2 ZINC001169575909 762520673 /nfs/dbraw/zinc/52/06/73/762520673.db2.gz ZESPUOKSBXVZIU-UHFFFAOYSA-N 1 0 303.278 1.451 20 5 DDBDRO CC1(C)CC(C[NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001086363239 761492749 /nfs/dbraw/zinc/49/27/49/761492749.db2.gz JEBHUHAPTRBUGP-FMKGYKFTSA-N 1 0 309.410 1.572 20 5 DDBDRO COCC(C)(C)CC(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001131727874 768296603 /nfs/dbraw/zinc/29/66/03/768296603.db2.gz FTSWJVIXOGWNCG-UHFFFAOYSA-N 1 0 323.393 1.863 20 5 DDBDRO COc1ccc(C[C@@H](C)[NH2+]CC(=O)NCC(C)C)c([N+](=O)[O-])c1 ZINC001170306211 766224664 /nfs/dbraw/zinc/22/46/64/766224664.db2.gz RVQJRQAWWKOLRU-GFCCVEGCSA-N 1 0 323.393 1.896 20 5 DDBDRO COc1ccc(C[C@@H](C)N2CC3(C2)C[NH+](C)C3)c([N+](=O)[O-])c1 ZINC001170355465 766261234 /nfs/dbraw/zinc/26/12/34/766261234.db2.gz GCODTQYAKYWDJP-GFCCVEGCSA-N 1 0 305.378 1.782 20 5 DDBDRO O=C(CCn1ccnc1)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001132079716 768610039 /nfs/dbraw/zinc/61/00/39/768610039.db2.gz JJERFKNERGDYDG-UHFFFAOYSA-N 1 0 317.349 1.087 20 5 DDBDRO C[NH+](C)CCCNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC001135486559 771532107 /nfs/dbraw/zinc/53/21/07/771532107.db2.gz XYGJNVXHFMZDFZ-UHFFFAOYSA-N 1 0 318.736 1.651 20 5 DDBDRO CC[NH+](CC)CC(=O)N[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC001097030118 771601422 /nfs/dbraw/zinc/60/14/22/771601422.db2.gz QRMZERBKXUUZQI-HAQNSBGRSA-N 1 0 321.381 1.391 20 5 DDBDRO [NH3+]CCc1cc2ccccc2n1-c1c(F)c([N+](=O)[O-])cc[n+]1[O-] ZINC001171300745 773084075 /nfs/dbraw/zinc/08/40/75/773084075.db2.gz DLPWPVHUXYFTQR-UHFFFAOYSA-N 1 0 316.292 1.812 20 5 DDBDRO CC/C=C/CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001147506995 773155255 /nfs/dbraw/zinc/15/52/55/773155255.db2.gz JMZLMYJCHMZFPJ-LSMGEYOZSA-N 1 0 307.394 1.542 20 5 DDBDRO COc1cc([N+](=O)[O-])cnc1N1c2ccccc2OC[C@H]1C[NH3+] ZINC001171390756 774349026 /nfs/dbraw/zinc/34/90/26/774349026.db2.gz ZAXYQWLUQIKROU-LLVKDONJSA-N 1 0 316.317 1.856 20 5 DDBDRO O=C(CC[NH+]1CCCCC1)NCCNc1ccc([N+](=O)[O-])cn1 ZINC001093686646 774981481 /nfs/dbraw/zinc/98/14/81/774981481.db2.gz OKUPQMARGAGABI-UHFFFAOYSA-N 1 0 321.381 1.394 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(NCCNC(=O)C[N@@H+](C)C2CCC2)c1 ZINC001094221680 775544172 /nfs/dbraw/zinc/54/41/72/775544172.db2.gz MMYYQGNUHRFQHD-UHFFFAOYSA-N 1 0 320.393 1.916 20 5 DDBDRO C[NH+](C)CCCC(=O)NCCCNc1ccccc1[N+](=O)[O-] ZINC001094744891 776243065 /nfs/dbraw/zinc/24/30/65/776243065.db2.gz OUNJNFZDQWRXEZ-UHFFFAOYSA-N 1 0 308.382 1.855 20 5 DDBDRO CN1CCOC[C@@H]1C[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172913774 776928882 /nfs/dbraw/zinc/92/88/82/776928882.db2.gz ZEUJIWFDLCWBKR-RDJZCZTQSA-N 1 0 319.405 1.762 20 5 DDBDRO NC(=O)N1CC[NH+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172910625 776941859 /nfs/dbraw/zinc/94/18/59/776941859.db2.gz MQVZJCWJVPBKHY-CQSZACIVSA-N 1 0 318.377 1.539 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CC[C@H](CO)C2)c1F ZINC001173188885 777036477 /nfs/dbraw/zinc/03/64/77/777036477.db2.gz HPOYHAGYPWJTRD-QWRGUYRKSA-N 1 0 312.341 1.988 20 5 DDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCN1CCC[C@H](O)C1 ZINC001173219537 777051897 /nfs/dbraw/zinc/05/18/97/777051897.db2.gz NQRVFSDXAHCBGX-CJNGLKHVSA-N 1 0 307.394 1.572 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(NCCN(C)C(=O)C[NH+]2CCCC2)c1 ZINC001101633201 777328690 /nfs/dbraw/zinc/32/86/90/777328690.db2.gz DEXSSENQKLNVGH-UHFFFAOYSA-N 1 0 320.393 1.869 20 5 DDBDRO CN(CCNc1ccccc1[N+](=O)[O-])C(=O)C[NH+]1CCCC1 ZINC001101633464 777330515 /nfs/dbraw/zinc/33/05/15/777330515.db2.gz SQZZYARTZCUZHO-UHFFFAOYSA-N 1 0 306.366 1.561 20 5 DDBDRO CCOC(=O)[C@@H]1C[C@H]1C[NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC001175323485 777751022 /nfs/dbraw/zinc/75/10/22/777751022.db2.gz MWRJIJVVBZUNQY-PEYYIBSZSA-N 1 0 322.361 1.591 20 5 DDBDRO CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@H]1[NH2+]CC[N+](=O)[O-] ZINC001120354167 781890513 /nfs/dbraw/zinc/89/05/13/781890513.db2.gz CEEBRWBTOBSVOE-NWDGAFQWSA-N 1 0 301.387 1.936 20 5 DDBDRO CCN(CC[NH2+]Cc1cccc(C)c1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001268450022 840210490 /nfs/dbraw/zinc/21/04/90/840210490.db2.gz MYLBGDVEYCYRMV-HUUCEWRRSA-N 1 0 305.378 1.598 20 5 DDBDRO Cn1cccc1C(=O)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001154712213 861385111 /nfs/dbraw/zinc/38/51/11/861385111.db2.gz MJAPWVAVHUDNDZ-UHFFFAOYSA-N 1 0 316.361 1.843 20 5 DDBDRO C[C@@H](CN1CC[NH2+]CC1)Nc1ccc2ccc([N+](=O)[O-])cc2n1 ZINC001154748511 861421241 /nfs/dbraw/zinc/42/12/41/861421241.db2.gz AZOBEGRNHICYCZ-LBPRGKRZSA-N 1 0 315.377 1.849 20 5 DDBDRO C[NH+](C)C[C@H]1COCCN1c1ncnc2cc([N+](=O)[O-])ccc21 ZINC001154970049 861611710 /nfs/dbraw/zinc/61/17/10/861611710.db2.gz VGAGSQMXLGIQEL-LBPRGKRZSA-N 1 0 317.349 1.305 20 5 DDBDRO O=[N+]([O-])c1cc(Cl)[n+]([O-])c(-n2cncc2C2CC[NH2+]CC2)c1 ZINC001155057633 861690205 /nfs/dbraw/zinc/69/02/05/861690205.db2.gz LOSHYBRPSRTQFD-UHFFFAOYSA-N 1 0 323.740 1.534 20 5 DDBDRO COC(=O)[C@@H]([NH3+])C1CCN(c2ncc([N+](=O)[O-])c(C)c2C)CC1 ZINC001155159862 861788319 /nfs/dbraw/zinc/78/83/19/861788319.db2.gz NXUOIGPDIXESHI-ZDUSSCGKSA-N 1 0 322.365 1.323 20 5 DDBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc(C)n2)C1 ZINC001148553842 850804559 /nfs/dbraw/zinc/80/45/59/850804559.db2.gz VYISZYGHLVRCAU-LBPRGKRZSA-N 1 0 306.366 1.712 20 5 DDBDRO O=[N+]([O-])c1ccc2ccc(NC[C@@]34C[NH2+][C@@H](CO3)C4)nc2c1 ZINC001155542078 862208767 /nfs/dbraw/zinc/20/87/67/862208767.db2.gz ZQVCAUMDYBXTPO-IAQYHMDHSA-N 1 0 300.318 1.686 20 5 DDBDRO O=[N+]([O-])c1c(Cl)ccnc1N[C@H]1CCO[C@]2(CC[NH2+]C2)C1 ZINC001155616829 862294516 /nfs/dbraw/zinc/29/45/16/862294516.db2.gz GDNMKROVPPNUDS-TVQRCGJNSA-N 1 0 312.757 1.966 20 5 DDBDRO COc1nc(N[C@@H]2CCO[C@@]3(CC[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC001155618925 862298424 /nfs/dbraw/zinc/29/84/24/862298424.db2.gz NEDPDDGRXXLSIQ-YGRLFVJLSA-N 1 0 308.338 1.321 20 5 DDBDRO O=[N+]([O-])c1cccc2ncnc(N(c3ncccn3)C3C[NH2+]C3)c21 ZINC001155879650 862529163 /nfs/dbraw/zinc/52/91/63/862529163.db2.gz OAFDTSRKTYKTEG-UHFFFAOYSA-N 1 0 323.316 1.438 20 5 DDBDRO CNc1ccc(CNc2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)cc1 ZINC001156142049 862751254 /nfs/dbraw/zinc/75/12/54/862751254.db2.gz BYDRVBFQCVSSKJ-UHFFFAOYSA-N 1 0 314.349 1.725 20 5 DDBDRO C[C@@H]1CN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])[C@@H](C)C[NH2+]1 ZINC001121931336 858638536 /nfs/dbraw/zinc/63/85/36/858638536.db2.gz KVMKYGLJOVNOFP-MNOVXSKESA-N 1 0 309.341 1.875 20 5 DDBDRO C[C@@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C[NH2+]1 ZINC001122171350 858702465 /nfs/dbraw/zinc/70/24/65/858702465.db2.gz JMPLVOJNYBNEII-UEEZHKSASA-N 1 0 303.362 1.955 20 5 DDBDRO COc1ccc(CC(=O)N2CC[C@@H](C[NH3+])[C@@H](C)C2)cc1[N+](=O)[O-] ZINC001122209571 858714514 /nfs/dbraw/zinc/71/45/14/858714514.db2.gz GTEWGAGETKVUEH-AAEUAGOBSA-N 1 0 321.377 1.589 20 5 DDBDRO [NH3+][C@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])CC[C@@H]1C(F)(F)F ZINC001122243862 858724196 /nfs/dbraw/zinc/72/41/96/858724196.db2.gz ZVINZEGSKRVRKY-UWVGGRQHSA-N 1 0 317.267 1.947 20 5 DDBDRO CC(C)C[NH+]1CCN(c2nnc(C[N+](=O)[O-])n2CC2CC2)CC1 ZINC001123413684 859224704 /nfs/dbraw/zinc/22/47/04/859224704.db2.gz RVRLEBYGSWFBFD-UHFFFAOYSA-N 1 0 322.413 1.243 20 5 DDBDRO O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1cnns1 ZINC001124172731 859614253 /nfs/dbraw/zinc/61/42/53/859614253.db2.gz QBVFLBGQWNWCGY-UHFFFAOYSA-N 1 0 313.364 1.027 20 5 DDBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(NCc2ccnc(N)c2)n1 ZINC001156764071 863329481 /nfs/dbraw/zinc/32/94/81/863329481.db2.gz QUVKFCLAXOLOTR-UHFFFAOYSA-N 1 0 317.309 1.241 20 5 DDBDRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001154022540 864332620 /nfs/dbraw/zinc/33/26/20/864332620.db2.gz LBJNKABUFLTMNJ-SFYZADRCSA-N 1 0 313.745 1.280 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(-n2cc3c(n2)CC[C@H]([NH3+])C3)nc1Cl ZINC001157990806 864340615 /nfs/dbraw/zinc/34/06/15/864340615.db2.gz YIPPINISABFHOH-VIFPVBQESA-N 1 0 307.741 1.953 20 5 DDBDRO [NH3+][C@@H](CO)Cc1cncn1-c1nc2ccccc2cc1[N+](=O)[O-] ZINC001158206334 864488574 /nfs/dbraw/zinc/48/85/74/864488574.db2.gz JVVXRTGBYPFIKU-LLVKDONJSA-N 1 0 313.317 1.191 20 5 DDBDRO COc1cc2ncnc(-n3ccc([C@@H](C)[NH3+])n3)c2cc1[N+](=O)[O-] ZINC001158351406 864596904 /nfs/dbraw/zinc/59/69/04/864596904.db2.gz ZSCNDTICDUGJSY-MRVPVSSYSA-N 1 0 314.305 1.752 20 5 DDBDRO CCN(C(=O)Cc1ccc(OC)c([N+](=O)[O-])c1)[C@H]1CC[NH2+]C1 ZINC001330999752 864767121 /nfs/dbraw/zinc/76/71/21/864767121.db2.gz JVHQMQGHRMSQJU-LBPRGKRZSA-N 1 0 307.350 1.356 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC001331017475 864778826 /nfs/dbraw/zinc/77/88/26/864778826.db2.gz OBEYRPKITAAAFS-INIZCTEOSA-N 1 0 318.377 1.904 20 5 DDBDRO COC(=O)C(C)(C)C[N@H+](CC(C)C)Cn1nccc1[N+](=O)[O-] ZINC001331034183 864791569 /nfs/dbraw/zinc/79/15/69/864791569.db2.gz IAKAVLNKNSEXCV-UHFFFAOYSA-N 1 0 312.370 1.906 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])cc1O[C@H]1C[NH+]2CCC1CC2 ZINC001225447764 881838408 /nfs/dbraw/zinc/83/84/08/881838408.db2.gz MXWLPMKGJKGNCW-AWEZNQCLSA-N 1 0 306.318 1.854 20 5 DDBDRO CN(CC[NH3+])CCNc1nc(Cl)nc2ccc([N+](=O)[O-])cc21 ZINC001159438720 865293849 /nfs/dbraw/zinc/29/38/49/865293849.db2.gz IIWRHEPEJVMOLL-UHFFFAOYSA-N 1 0 324.772 1.494 20 5 DDBDRO C[C@H](Nc1ncnc2cc([N+](=O)[O-])ccc21)[C@H]1C[NH2+]CCO1 ZINC001159496018 865346468 /nfs/dbraw/zinc/34/64/68/865346468.db2.gz IADFXAKUNOQMDD-TVQRCGJNSA-N 1 0 303.322 1.327 20 5 DDBDRO CC[N@H+](C)[C@@H]1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC001160152394 865702482 /nfs/dbraw/zinc/70/24/82/865702482.db2.gz ASIIMWCMJMYALW-LLVKDONJSA-N 1 0 317.349 1.637 20 5 DDBDRO Cc1ncc([N+](=O)[O-])c(-n2nc(-c3ccncc3)cc2C[NH3+])n1 ZINC001160337845 865789260 /nfs/dbraw/zinc/78/92/60/865789260.db2.gz NLOLEOFYLOKYSQ-UHFFFAOYSA-N 1 0 311.305 1.400 20 5 DDBDRO CCOc1nc(N[C@@]2(C[NH3+])CN3CCC2CC3)ccc1[N+](=O)[O-] ZINC001160513544 865898164 /nfs/dbraw/zinc/89/81/64/865898164.db2.gz PDAXZRBQDMYGIH-HNNXBMFYSA-N 1 0 321.381 1.224 20 5 DDBDRO O=[N+]([O-])c1cc(-c2nc(-c3ccc4c(n3)CC[NH2+]C4)no2)ccn1 ZINC001213025600 866082446 /nfs/dbraw/zinc/08/24/46/866082446.db2.gz JQNORNWQDSDTGV-UHFFFAOYSA-N 1 0 324.300 1.748 20 5 DDBDRO CC(=O)O[C@H]1C[C@@H]2C[C@H](Oc3ccc([N+](=O)[O-])cn3)C[C@H]1[N@@H+]2C ZINC001225634006 881951455 /nfs/dbraw/zinc/95/14/55/881951455.db2.gz COYOZRZQNGJDMB-FQUUOJAGSA-N 1 0 321.333 1.535 20 5 DDBDRO [NH3+]Cc1cc2ccncc2n1-c1c(Cl)[n+]([O-])ccc1[N+](=O)[O-] ZINC001160959767 866222356 /nfs/dbraw/zinc/22/23/56/866222356.db2.gz HCUZJEIWIXRFQT-UHFFFAOYSA-N 1 0 319.708 1.679 20 5 DDBDRO COc1cc(NC2CCN([C@@H]3CC[NH2+]C3)CC2)ncc1[N+](=O)[O-] ZINC001161463452 866683379 /nfs/dbraw/zinc/68/33/79/866683379.db2.gz DCPYHLBPWSRJTC-GFCCVEGCSA-N 1 0 321.381 1.237 20 5 DDBDRO [NH3+]C1CCN(CCNc2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC001161867550 867046654 /nfs/dbraw/zinc/04/66/54/867046654.db2.gz JVOHNLQSBHJKBD-UHFFFAOYSA-N 1 0 316.365 1.373 20 5 DDBDRO Cn1cncc1C(=O)NCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001161913741 867093335 /nfs/dbraw/zinc/09/33/35/867093335.db2.gz QAAUNYLOMCAPJW-UHFFFAOYSA-N 1 0 323.378 1.300 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(OCC(N)=O)CC1 ZINC001321262086 867445087 /nfs/dbraw/zinc/44/50/87/867445087.db2.gz LOGOQKHRXQUCTR-UHFFFAOYSA-N 1 0 323.349 1.070 20 5 DDBDRO CN(C)/C=C/c1cc(N[C@@H]2C=C[C@@H]3C[NH2+]C[C@@H]23)ncc1[N+](=O)[O-] ZINC001162798733 867833041 /nfs/dbraw/zinc/83/30/41/867833041.db2.gz UMYKEWIYQUZRII-LHHWMGCDSA-N 1 0 315.377 1.708 20 5 DDBDRO COc1cc(C)c([N+](=O)[O-])cc1NC[C@@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001163105094 868104059 /nfs/dbraw/zinc/10/40/59/868104059.db2.gz JTBNBXPLKOINKW-UEKVPHQBSA-N 1 0 307.350 1.558 20 5 DDBDRO COc1ccc(NC[C@@H]2OC[C@H]3C[NH2+]CC[C@H]32)nc1[N+](=O)[O-] ZINC001163162849 868175842 /nfs/dbraw/zinc/17/58/42/868175842.db2.gz FRNZISWHLKNAAP-FOGDFJRCSA-N 1 0 308.338 1.035 20 5 DDBDRO O=[N+]([O-])c1ccnc(Cl)c1NC[C@H]1OC[C@H]2C[NH2+]CC[C@H]21 ZINC001163164491 868177498 /nfs/dbraw/zinc/17/74/98/868177498.db2.gz VWUQXJZCBHEXAY-FXPVBKGRSA-N 1 0 312.757 1.680 20 5 DDBDRO CN(CCC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)c1cn[nH]n1 ZINC001322589916 868266612 /nfs/dbraw/zinc/26/66/12/868266612.db2.gz CHJMUCAYBFTUTA-UHFFFAOYSA-N 1 0 324.366 1.026 20 5 DDBDRO COc1cc([N+](=O)[O-])cnc1N[C@H]1CCO[C@]2(CC[NH2+]C2)C1 ZINC001163302964 868324674 /nfs/dbraw/zinc/32/46/74/868324674.db2.gz AHHPAIMDHVFLEA-IINYFYTJSA-N 1 0 308.338 1.321 20 5 DDBDRO CCOc1cnc(N[C@H]2CCO[C@@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC001163310395 868338783 /nfs/dbraw/zinc/33/87/83/868338783.db2.gz LIHQCZOCPXFVFL-NHYWBVRUSA-N 1 0 322.365 1.712 20 5 DDBDRO O=[N+]([O-])c1cncc(Cl)c1N[C@H]1CCO[C@]2(CC[NH2+]C2)C1 ZINC001163322277 868349600 /nfs/dbraw/zinc/34/96/00/868349600.db2.gz HKDUWSXVBSFTLG-TVQRCGJNSA-N 1 0 312.757 1.388 20 5 DDBDRO Cc1nnc(C[NH3+])n1-c1nc(Cl)c(Cl)cc1[N+](=O)[O-] ZINC001163345822 868365370 /nfs/dbraw/zinc/36/53/70/868365370.db2.gz GMMFLUYJCQJXSS-UHFFFAOYSA-N 1 0 303.109 1.644 20 5 DDBDRO CCOC(=O)c1cn(-c2nc(C)cc(C)c2[N+](=O)[O-])nc1C[NH3+] ZINC001163525217 868507664 /nfs/dbraw/zinc/50/76/64/868507664.db2.gz UOGMCRGSXHDGBL-UHFFFAOYSA-N 1 0 319.321 1.428 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2C[C@]2(F)c2ccccc2)c1 ZINC001335986703 868663118 /nfs/dbraw/zinc/66/31/18/868663118.db2.gz PCQYNEDDDSCNPX-ILXRZTDVSA-N 1 0 320.324 1.379 20 5 DDBDRO Cc1cc(C(F)(F)F)cc(OC(=O)C[C@@H](O)C[N+](C)(C)C)n1 ZINC001226190920 882264210 /nfs/dbraw/zinc/26/42/10/882264210.db2.gz RQWWCQRCSZUTPP-LLVKDONJSA-N 1 0 321.319 1.771 20 5 DDBDRO O=C(NCCC1(C[NH2+]C/C=C/Cl)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001164494415 869232201 /nfs/dbraw/zinc/23/22/01/869232201.db2.gz IZDSWOIGSJHMTO-WXQKJEBPSA-N 1 0 301.774 1.280 20 5 DDBDRO C[NH+](C)C[C@@H]1CCCN1c1cc([N+](=O)[O-])cc(Cl)[n+]1[O-] ZINC001165076749 869365525 /nfs/dbraw/zinc/36/55/25/869365525.db2.gz KUYCZVMEQALJRP-VIFPVBQESA-N 1 0 300.746 1.412 20 5 DDBDRO CO[C@@H]1CN(C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)C[C@H]1[NH3+] ZINC001165204403 869427023 /nfs/dbraw/zinc/42/70/23/869427023.db2.gz HYWUHMWZHWSSMK-RKDXNWHRSA-N 1 0 322.699 1.350 20 5 DDBDRO CCC(C)(C)C(=O)NCCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001165566396 869641155 /nfs/dbraw/zinc/64/11/55/869641155.db2.gz UDSDBHSZJQBHFO-UHFFFAOYSA-N 1 0 311.386 1.360 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@@H](O)c2cccnc2)c1 ZINC001338420246 869971381 /nfs/dbraw/zinc/97/13/81/869971381.db2.gz WGTKGVHXYLKCLY-LSDHHAIUSA-N 1 0 303.318 1.346 20 5 DDBDRO [NH3+][C@@H]1CCN(c2ncnc3cccc([N+](=O)[O-])c32)CC1(F)F ZINC001166960602 870424641 /nfs/dbraw/zinc/42/46/41/870424641.db2.gz KBDMFWHRABNCCL-SNVBAGLBSA-N 1 0 309.276 1.711 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC001339316052 870442822 /nfs/dbraw/zinc/44/28/22/870442822.db2.gz GECHUHDHBHXLHO-ZLKJLUDKSA-N 1 0 319.361 1.673 20 5 DDBDRO CCn1c([C@H](C)[N+](=O)[O-])nnc1N(C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC001339340144 870452405 /nfs/dbraw/zinc/45/24/05/870452405.db2.gz MOXKTVBMGJSKGB-AGIUHOORSA-N 1 0 324.429 1.802 20 5 DDBDRO C[NH+](C)CCCNc1cc(CN2CCOCC2)ccc1[N+](=O)[O-] ZINC001339503330 870528777 /nfs/dbraw/zinc/52/87/77/870528777.db2.gz WGTOHEHUHMGONM-UHFFFAOYSA-N 1 0 322.409 1.791 20 5 DDBDRO Cc1c(CNC(=O)[C@H]2[NH2+]CC23CCOCC3)cccc1[N+](=O)[O-] ZINC001339771141 870680093 /nfs/dbraw/zinc/68/00/93/870680093.db2.gz FUSSZMZUFVLFFG-CQSZACIVSA-N 1 0 319.361 1.288 20 5 DDBDRO CCn1c([C@H](C)[N+](=O)[O-])nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001340123902 870907179 /nfs/dbraw/zinc/90/71/79/870907179.db2.gz LWHUDCHBBCBNFV-QWHCGFSZSA-N 1 0 322.413 1.700 20 5 DDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])[C@@H]1[NH2+]CC12CCCC2 ZINC001340526890 871173814 /nfs/dbraw/zinc/17/38/14/871173814.db2.gz DMDUASNXRKVGOL-AWEZNQCLSA-N 1 0 303.362 1.786 20 5 DDBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@@H]2CC[NH2+]C[C@@H]2F)n1 ZINC001205219627 871437183 /nfs/dbraw/zinc/43/71/83/871437183.db2.gz SKJUGTHOYRSUQN-SFYZADRCSA-N 1 0 311.248 1.594 20 5 DDBDRO O=[N+]([O-])c1ccc(C[N@H+]2C[C@H](CCO)[C@H](CO)C2)cc1Cl ZINC001308983842 871544779 /nfs/dbraw/zinc/54/47/79/871544779.db2.gz UYLYCMNRPSDHLG-RYUDHWBXSA-N 1 0 314.769 1.671 20 5 DDBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC001341560841 871714683 /nfs/dbraw/zinc/71/46/83/871714683.db2.gz FHFKFGZTLSHNBV-GMTAPVOTSA-N 1 0 309.391 1.929 20 5 DDBDRO C[C@@H](NC(=O)[C@@H]1[NH2+]CC12CCOCC2)c1ccc([N+](=O)[O-])cc1 ZINC001341738769 871796084 /nfs/dbraw/zinc/79/60/84/871796084.db2.gz CVOSLSSXPXWNTI-RISCZKNCSA-N 1 0 319.361 1.541 20 5 DDBDRO [NH3+]CC12CC(C1)CN2C(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001342130960 872024155 /nfs/dbraw/zinc/02/41/55/872024155.db2.gz VXHOSAOBUPZLJW-STOOLFAPSA-N 1 0 301.346 1.648 20 5 DDBDRO CC(C)(C)[NH2+]CC(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC001318607186 872165767 /nfs/dbraw/zinc/16/57/67/872165767.db2.gz RGKLKSQWVSUFGT-LLVKDONJSA-N 1 0 321.381 1.391 20 5 DDBDRO C[C@H](NC(=O)C[C@H]1CSCC[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC001342588308 872279470 /nfs/dbraw/zinc/27/94/70/872279470.db2.gz DIBORUJOXDQLEH-JQWIXIFHSA-N 1 0 309.391 1.867 20 5 DDBDRO [NH3+]C[C@@H]1CN(C(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CCCO1 ZINC001343673103 872711495 /nfs/dbraw/zinc/71/14/95/872711495.db2.gz NUHKGECLDYVFSY-KFWWJZLASA-N 1 0 319.361 1.275 20 5 DDBDRO Cc1sc2ncnc(OC(=O)C[C@@H](O)C[N+](C)(C)C)c2c1C ZINC001227083182 882817650 /nfs/dbraw/zinc/81/76/50/882817650.db2.gz UROSRUZDDWYHEF-LLVKDONJSA-N 1 0 324.426 1.671 20 5 DDBDRO CC[N@@H+]1CCN(c2nnc([C@H](C)[N+](=O)[O-])n2CC2CC2)C[C@H]1C ZINC001348145016 874378712 /nfs/dbraw/zinc/37/87/12/874378712.db2.gz JLMLDVBFJILHMN-NEPJUHHUSA-N 1 0 322.413 1.556 20 5 DDBDRO O=c1ccc([C@@H]2OCC[C@H]2[NH2+]CCn2cc([N+](=O)[O-])cn2)c[nH]1 ZINC001348249335 874448144 /nfs/dbraw/zinc/44/81/44/874448144.db2.gz WXBDKDZZVUJDPR-OCCSQVGLSA-N 1 0 319.321 1.012 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1nc2c(cccc2[N+](=O)[O-])o1 ZINC001227238662 882924501 /nfs/dbraw/zinc/92/45/01/882924501.db2.gz PBDMTACKSDLEFG-SECBINFHSA-N 1 0 324.313 1.099 20 5 DDBDRO CO[C@@H]1CC[N@H+](CCOc2nc3c(cccc3[N+](=O)[O-])o2)C1 ZINC001227236383 882924586 /nfs/dbraw/zinc/92/45/86/882924586.db2.gz SILWLVHBSDGJPQ-SNVBAGLBSA-N 1 0 307.306 1.836 20 5 DDBDRO C[C@@H]1CN(C(=O)c2c([N+](=O)[O-])cnn2C)CC[N@@H+]1C1CCCC1 ZINC001350602887 875782218 /nfs/dbraw/zinc/78/22/18/875782218.db2.gz KMWUVPJAOGBRKF-LLVKDONJSA-N 1 0 321.381 1.417 20 5 DDBDRO Cc1ccc(S(=O)(=O)NCCCC[NH3+])c(C)c1[N+](=O)[O-] ZINC001351214758 876125838 /nfs/dbraw/zinc/12/58/38/876125838.db2.gz DVCMXDTXMKAHRF-UHFFFAOYSA-N 1 0 301.368 1.229 20 5 DDBDRO CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC001353928316 877650614 /nfs/dbraw/zinc/65/06/14/877650614.db2.gz JARLYORJWATGCO-OLZOCXBDSA-N 1 0 309.341 1.909 20 5 DDBDRO CCn1c([C@@H](C)[N+](=O)[O-])nnc1N(C)CC[NH+]1CCCCC1 ZINC001356352302 879011310 /nfs/dbraw/zinc/01/13/10/879011310.db2.gz RDXGHVCOOGJKKO-GFCCVEGCSA-N 1 0 310.402 1.558 20 5 DDBDRO Cc1ccc(CNC(=O)N2CCC[C@@]23CC[NH2+]C3)cc1[N+](=O)[O-] ZINC001357532325 880033425 /nfs/dbraw/zinc/03/34/25/880033425.db2.gz KZZCSCVOKDISNJ-INIZCTEOSA-N 1 0 318.377 1.941 20 5 DDBDRO C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001357560560 880051035 /nfs/dbraw/zinc/05/10/35/880051035.db2.gz MHGLITNBHRNXQE-VXGBXAGGSA-N 1 0 318.377 1.866 20 5 DDBDRO CCOC(=O)c1ccc(COC(=O)C[C@@H](O)C[N+](C)(C)C)cc1 ZINC001222158175 880292891 /nfs/dbraw/zinc/29/28/91/880292891.db2.gz HNCZLHRQQBSNAZ-OAHLLOKOSA-N 1 0 324.397 1.364 20 5 DDBDRO Cc1cccc2c(OC(=O)C[C@@H](O)C[N+](C)(C)C)[nH]c(=O)nc12 ZINC001229404414 883965220 /nfs/dbraw/zinc/96/52/20/883965220.db2.gz GIDGGNHTMGTJSI-LLVKDONJSA-O 1 0 320.369 1.006 20 5 DDBDRO CC(=O)O[C@@H]1C[C@@H]2C[C@H](Oc3ccnc([N+](=O)[O-])c3)C[C@H]1[N@@H+]2C ZINC001233858968 887398050 /nfs/dbraw/zinc/39/80/50/887398050.db2.gz IZUYNXQVGDWGNJ-SCUASFONSA-N 1 0 321.333 1.535 20 5 DDBDRO COC(=O)c1cnc(O[C@@H]2C[NH+]3CCC2CC3)c([N+](=O)[O-])c1 ZINC001233863465 887399959 /nfs/dbraw/zinc/39/99/59/887399959.db2.gz WLCGFBFVCAMSTM-GFCCVEGCSA-N 1 0 307.306 1.249 20 5 DDBDRO COC(=O)c1cc2ccncc2nc1O[C@H](C)C[N+](C)(C)C ZINC001233879285 887420998 /nfs/dbraw/zinc/42/09/98/887420998.db2.gz BNEMIFQIXXGDAM-LLVKDONJSA-N 1 0 304.370 1.890 20 5 DDBDRO COc1cc(F)c(F)cc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001234231691 887773280 /nfs/dbraw/zinc/77/32/80/887773280.db2.gz MDESMMNAYQHQOG-SECBINFHSA-N 1 0 304.313 1.336 20 5 DDBDRO COC(=O)c1ncc2cccnc2c1O[C@H](C)C[N+](C)(C)C ZINC001234620340 888144305 /nfs/dbraw/zinc/14/43/05/888144305.db2.gz DWQVOXWHTKWQCW-LLVKDONJSA-N 1 0 304.370 1.890 20 5 DDBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(O[C@H]2CCC[N@@H+](C)C2)n1 ZINC001234908507 888246508 /nfs/dbraw/zinc/24/65/08/888246508.db2.gz GEAFQBYWTHKUSU-JTQLQIEISA-N 1 0 309.326 1.125 20 5 DDBDRO C[C@H](CNC(=O)c1cnc(N)c([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](C)C1 ZINC001290900463 913537555 /nfs/dbraw/zinc/53/75/55/913537555.db2.gz UYGRNIOCIRWHMR-WDEREUQCSA-N 1 0 321.381 1.422 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H](N1CCN[C@H]3CC[NH2+]CC[C@@H]31)C2 ZINC001246619412 892741196 /nfs/dbraw/zinc/74/11/96/892741196.db2.gz QYBCIMNRCMDXBO-IKGGRYGDSA-N 1 0 316.405 1.088 20 5 DDBDRO C[N@@H+]1CCC[C@@H](c2nc(-c3ncc(F)cc3[N+](=O)[O-])no2)C1 ZINC001248066385 893526960 /nfs/dbraw/zinc/52/69/60/893526960.db2.gz PTLQFGAGJMKHNN-MRVPVSSYSA-N 1 0 307.285 1.988 20 5 DDBDRO C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC001251758698 894803842 /nfs/dbraw/zinc/80/38/42/894803842.db2.gz XNPSDESIEVNQSL-CABCVRRESA-N 1 0 321.377 1.963 20 5 DDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCN(C2COC2)C1 ZINC001254538091 896494381 /nfs/dbraw/zinc/49/43/81/896494381.db2.gz OSFSHSFQQPVGDZ-JSGCOSHPSA-N 1 0 305.378 1.589 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N1CC[NH+](CCCO)CC1 ZINC001254552020 896498841 /nfs/dbraw/zinc/49/88/41/896498841.db2.gz IBZHQQPBHJVXKS-CQSZACIVSA-N 1 0 307.394 1.526 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H](N1CC[NH+](CCCO)CC1)C2 ZINC001254592641 896522753 /nfs/dbraw/zinc/52/27/53/896522753.db2.gz DTSODPHWVMJUQW-MRXNPFEDSA-N 1 0 305.378 1.062 20 5 DDBDRO N=c1sc2c(n1[C@H]1Cc3ccc([N+](=O)[O-])cc3C1)CC[NH2+]C2 ZINC001254603732 896527460 /nfs/dbraw/zinc/52/74/60/896527460.db2.gz QKWWRSGUTRPRRW-LBPRGKRZSA-N 1 0 316.386 1.923 20 5 DDBDRO O=C1CCC2(CC[NH+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)CC2)N1 ZINC001254611757 896533181 /nfs/dbraw/zinc/53/31/81/896533181.db2.gz SOCZUBUCKJCTLY-OAHLLOKOSA-N 1 0 315.373 1.807 20 5 DDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCC([NH+]2CCC2)CC1 ZINC001262185031 900005558 /nfs/dbraw/zinc/00/55/58/900005558.db2.gz ZUKLPTDSPSDDFU-UHFFFAOYSA-N 1 0 318.377 1.947 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC2(CC1)C[NH2+]CCO2 ZINC001263223890 900539835 /nfs/dbraw/zinc/53/98/35/900539835.db2.gz VRNHUNWNHSEVNK-UHFFFAOYSA-N 1 0 319.361 1.498 20 5 DDBDRO CCc1n[nH]c(C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000278571652 214245554 /nfs/dbraw/zinc/24/55/54/214245554.db2.gz KNSRYTXLAWUNOK-UWVGGRQHSA-N 1 0 309.370 1.435 20 5 DDBDRO CS[C@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000270490041 295671337 /nfs/dbraw/zinc/67/13/37/295671337.db2.gz OGUYTCVSNYLOLZ-OLZOCXBDSA-N 1 0 309.391 1.712 20 5 DDBDRO Cc1nc(N2CC[N@H+](C3CCOCC3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000278648423 214300981 /nfs/dbraw/zinc/30/09/81/214300981.db2.gz DKSIJIXMLYTYAB-LBPRGKRZSA-N 1 0 320.393 1.988 20 5 DDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000451629620 231144254 /nfs/dbraw/zinc/14/42/54/231144254.db2.gz KJAULPFUSAKPPH-TYNCELHUSA-N 1 0 318.377 1.558 20 5 DDBDRO CC[C@@H]1[C@H](CO)CC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000451248528 529485531 /nfs/dbraw/zinc/48/55/31/529485531.db2.gz DEGIQWNYCRFFRP-DUVNUKRYSA-N 1 0 324.377 1.427 20 5 DDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@@H]1CCC[N@H+]1CCCO ZINC000452366034 231362769 /nfs/dbraw/zinc/36/27/69/231362769.db2.gz OGUDFUXMQMJROY-HNNXBMFYSA-N 1 0 321.377 1.100 20 5 DDBDRO CC1(C)CN(Cc2c(F)cccc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000614923651 362081206 /nfs/dbraw/zinc/08/12/06/362081206.db2.gz PMNIJPGDVXCDDB-UHFFFAOYSA-N 1 0 311.357 1.622 20 5 DDBDRO CCO[C@@H]1C[C@@H]([N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)C1(C)C ZINC000090550318 185302244 /nfs/dbraw/zinc/30/22/44/185302244.db2.gz SVLIWMZTHGHALV-ZIAGYGMSSA-N 1 0 323.393 1.892 20 5 DDBDRO CN(CC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1)c1ccccc1[N+](=O)[O-] ZINC000435242334 529825911 /nfs/dbraw/zinc/82/59/11/529825911.db2.gz KLGZTBVQHHVJHP-CYBMUJFWSA-N 1 0 318.377 1.384 20 5 DDBDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000266191721 282300861 /nfs/dbraw/zinc/30/08/61/282300861.db2.gz MMRWKOBSPZODQD-CQSZACIVSA-N 1 0 305.378 1.938 20 5 DDBDRO C[NH2+]CCCN(C)C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000424032406 529964123 /nfs/dbraw/zinc/96/41/23/529964123.db2.gz KVQZVVWXGDSELE-UHFFFAOYSA-N 1 0 317.349 1.462 20 5 DDBDRO C[NH2+]CCCN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000423204511 529971479 /nfs/dbraw/zinc/97/14/79/529971479.db2.gz UMARDLQAGOKYPN-CQSZACIVSA-N 1 0 303.366 1.617 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@@H](C)C[NH+](C)C ZINC000286792512 282346769 /nfs/dbraw/zinc/34/67/69/282346769.db2.gz SGBFHORTMKDHIZ-NSHDSACASA-N 1 0 315.395 1.440 20 5 DDBDRO C[NH+]1CCC(NC(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000492092615 530049832 /nfs/dbraw/zinc/04/98/32/530049832.db2.gz YHPKTFKLHDBMER-HWKANZROSA-N 1 0 307.325 1.958 20 5 DDBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000491889105 530057138 /nfs/dbraw/zinc/05/71/38/530057138.db2.gz UURSUSVHMRGDDF-SCXUMTSISA-N 1 0 307.325 1.958 20 5 DDBDRO C[N@@H+]1CCC[C@H]1CNC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000491889104 530063009 /nfs/dbraw/zinc/06/30/09/530063009.db2.gz UURSUSVHMRGDDF-IYNGYCSASA-N 1 0 307.325 1.958 20 5 DDBDRO CCOC[C@@H]1CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000181943819 199366770 /nfs/dbraw/zinc/36/67/70/199366770.db2.gz ILUOZQZLESQXEL-KGLIPLIRSA-N 1 0 324.377 1.693 20 5 DDBDRO C[C@@H]1C[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2F)CC[N@@H+]1C ZINC000358391866 299140434 /nfs/dbraw/zinc/14/04/34/299140434.db2.gz ITIQALUXLALPCD-ZYHUDNBSSA-N 1 0 309.341 1.875 20 5 DDBDRO Cn1c(C(=O)NC2CCC(C[NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000331260822 232902451 /nfs/dbraw/zinc/90/24/51/232902451.db2.gz BKLQAYGIYXXTBZ-UHFFFAOYSA-N 1 0 308.382 1.784 20 5 DDBDRO CC[C@]1([NH2+]CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CCOC1 ZINC000616866109 362853903 /nfs/dbraw/zinc/85/39/03/362853903.db2.gz OLUZSEYQMCMCNM-INIZCTEOSA-N 1 0 319.361 1.643 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N(C)CC[N@H+](C)C2CC2)n1 ZINC000286995002 219259665 /nfs/dbraw/zinc/25/96/65/219259665.db2.gz UHDYWBPAFCSRAY-UHFFFAOYSA-N 1 0 308.338 1.307 20 5 DDBDRO Cc1c(NC(=O)NC[C@@]2(O)CC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC000358444987 299153673 /nfs/dbraw/zinc/15/36/73/299153673.db2.gz WSFLGYIXUXMIBL-AWEZNQCLSA-N 1 0 308.338 1.091 20 5 DDBDRO C[NH2+]C[C@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000071144321 190936364 /nfs/dbraw/zinc/93/63/64/190936364.db2.gz AZPASFXFYSRPMU-LLVKDONJSA-N 1 0 313.379 1.133 20 5 DDBDRO CCCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000071330322 190959319 /nfs/dbraw/zinc/95/93/19/190959319.db2.gz CCPLBYXPONFOQB-GFCCVEGCSA-N 1 0 313.379 1.357 20 5 DDBDRO C[N@@H+]1CCCN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1 ZINC000279956608 215268210 /nfs/dbraw/zinc/26/82/10/215268210.db2.gz ZQRSQRVPTYRVPQ-UHFFFAOYSA-N 1 0 318.377 1.121 20 5 DDBDRO COCCC[N@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000152411959 186069969 /nfs/dbraw/zinc/06/99/69/186069969.db2.gz WXOOBVFQPQUXEZ-UHFFFAOYSA-N 1 0 309.366 1.601 20 5 DDBDRO CC(C)[N@@H+]1CCCN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000272441891 209845574 /nfs/dbraw/zinc/84/55/74/209845574.db2.gz MOIAQYDCXSMDHP-UHFFFAOYSA-N 1 0 306.366 1.733 20 5 DDBDRO CN(CC(=O)NCC1([NH3+])CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000159587525 186128864 /nfs/dbraw/zinc/12/88/64/186128864.db2.gz ZFVURJAQKQSVFB-UHFFFAOYSA-N 1 0 320.393 1.809 20 5 DDBDRO CCS(=O)(=O)NCC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173356882 186180140 /nfs/dbraw/zinc/18/01/40/186180140.db2.gz GAIMIOPCQDICDG-JTQLQIEISA-N 1 0 301.368 1.185 20 5 DDBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000181883873 186214785 /nfs/dbraw/zinc/21/47/85/186214785.db2.gz HQTWBPQFXXAAQZ-SNVBAGLBSA-N 1 0 307.306 1.148 20 5 DDBDRO C[NH+](C)C[C@@H]1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000172030040 198028476 /nfs/dbraw/zinc/02/84/76/198028476.db2.gz HRZLPMIICUAZCE-ZDUSSCGKSA-N 1 0 320.393 1.807 20 5 DDBDRO O=C(Cn1cc([N+](=O)[O-])cn1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000172495617 198105602 /nfs/dbraw/zinc/10/56/02/198105602.db2.gz BDKWFBARIYMFES-ZDUSSCGKSA-N 1 0 321.381 1.268 20 5 DDBDRO CC(C)[C@@H](CNc1c([N+](=O)[O-])ncn1C)[NH+]1CCN(C)CC1 ZINC000046551957 352455983 /nfs/dbraw/zinc/45/59/83/352455983.db2.gz SODDSCDXGBUEKV-GFCCVEGCSA-N 1 0 310.402 1.012 20 5 DDBDRO CC(C)[NH2+]CCC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000564940840 304027745 /nfs/dbraw/zinc/02/77/45/304027745.db2.gz RGWXZUQPNYMEGU-UHFFFAOYSA-N 1 0 309.370 1.343 20 5 DDBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCNS(C)(=O)=O ZINC000344841947 282847408 /nfs/dbraw/zinc/84/74/08/282847408.db2.gz FBYPKXALMYYOLW-DHZHZOJOSA-N 1 0 313.379 1.137 20 5 DDBDRO C[C@H]1CCCC[N@@H+]1CCNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000060670051 352878660 /nfs/dbraw/zinc/87/86/60/352878660.db2.gz KLTUWDHVYUVGKW-ZDUSSCGKSA-N 1 0 321.377 1.964 20 5 DDBDRO CNC(=O)c1ccc(NC[C@H](C)[N@H+](C)C2CC2)c([N+](=O)[O-])c1 ZINC000068913119 353135822 /nfs/dbraw/zinc/13/58/22/353135822.db2.gz SLBSGDPENHYJTQ-JTQLQIEISA-N 1 0 306.366 1.849 20 5 DDBDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])C1 ZINC000072811020 353216601 /nfs/dbraw/zinc/21/66/01/353216601.db2.gz ANUWQWHOPWDAFT-BARDWOONSA-N 1 0 309.410 1.765 20 5 DDBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000174168733 198300913 /nfs/dbraw/zinc/30/09/13/198300913.db2.gz BDAVMKSDRQILEL-LLVKDONJSA-N 1 0 324.356 1.872 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCC(C(F)(F)F)CC2)c1 ZINC000174190715 198303638 /nfs/dbraw/zinc/30/36/38/198303638.db2.gz ZENARTSZJNURAG-LLVKDONJSA-N 1 0 322.287 1.427 20 5 DDBDRO C[C@H](C(=O)N(C)C)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174241186 198309399 /nfs/dbraw/zinc/30/93/99/198309399.db2.gz YMNOKXJDXXXOPI-GFCCVEGCSA-N 1 0 321.377 1.915 20 5 DDBDRO CCc1n[nH]c(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1[N+](=O)[O-] ZINC000174539713 198350162 /nfs/dbraw/zinc/35/01/62/198350162.db2.gz MUEPRFVLRLVHMT-FGWVZKOKSA-N 1 0 321.381 1.625 20 5 DDBDRO CC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)CCN1C[C@@H](C)O ZINC000174618386 198361002 /nfs/dbraw/zinc/36/10/02/198361002.db2.gz JAQKOEHUGGLUBW-MNOVXSKESA-N 1 0 311.338 1.105 20 5 DDBDRO CCOC(=O)c1ccnc(N[C@@H]2CC[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000077934081 353497465 /nfs/dbraw/zinc/49/74/65/353497465.db2.gz VPAONYNDLPJASJ-SNVBAGLBSA-N 1 0 320.349 1.815 20 5 DDBDRO COC1CC[NH+](CCNC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000079772801 353576704 /nfs/dbraw/zinc/57/67/04/353576704.db2.gz DQYKHGSGYUZYBK-UHFFFAOYSA-N 1 0 322.365 1.827 20 5 DDBDRO O=C(NC[C@@H]1CCC[N@@H+]1CCc1ccccc1)[C@@H]1C[C@@H]1[N+](=O)[O-] ZINC000079604003 353569663 /nfs/dbraw/zinc/56/96/63/353569663.db2.gz BQENGVXURUUPII-XHSDSOJGSA-N 1 0 317.389 1.475 20 5 DDBDRO Cc1n[nH]c(C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)c1[N+](=O)[O-] ZINC000081290876 353660775 /nfs/dbraw/zinc/66/07/75/353660775.db2.gz XVCXXIHSRXECRV-LBPRGKRZSA-N 1 0 321.381 1.621 20 5 DDBDRO O=C([C@@H]1CC1[N+](=O)[O-])N1CCc2c1cccc2C[NH+]1CCCC1 ZINC000081422804 353672343 /nfs/dbraw/zinc/67/23/43/353672343.db2.gz JDSQCKOQJHUTRK-GDBMZVCRSA-N 1 0 315.373 1.837 20 5 DDBDRO C[C@H](O)C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C1CCCCC1 ZINC000090526533 353794739 /nfs/dbraw/zinc/79/47/39/353794739.db2.gz VSPWEGBYSJDDKX-ZDUSSCGKSA-N 1 0 323.393 1.772 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1N1CC[NH+](CCc2ccccc2)CC1 ZINC000139594548 354129991 /nfs/dbraw/zinc/12/99/91/354129991.db2.gz XKHYQLILWGSGLJ-UHFFFAOYSA-N 1 0 315.377 1.693 20 5 DDBDRO O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])NC[C@H]1C[NH2+]CCCO1 ZINC000493066358 234689664 /nfs/dbraw/zinc/68/96/64/234689664.db2.gz XSJIWZVZPKDKMJ-MASHWEEQSA-N 1 0 323.324 1.242 20 5 DDBDRO CCN(CC[NH3+])S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000311536608 354476047 /nfs/dbraw/zinc/47/60/47/354476047.db2.gz ZRROIWAFVGVPAD-UHFFFAOYSA-N 1 0 307.759 1.218 20 5 DDBDRO O=[N+]([O-])c1ccc2ncnc(NCC[NH+]3CCC(O)CC3)c2c1 ZINC000322371041 354536437 /nfs/dbraw/zinc/53/64/37/354536437.db2.gz ZKFJDCZOSAWHCH-UHFFFAOYSA-N 1 0 317.349 1.407 20 5 DDBDRO CN(CCC[NH3+])Cc1cn(-c2ccc(Cl)cc2[N+](=O)[O-])nn1 ZINC000328199929 354544169 /nfs/dbraw/zinc/54/41/69/354544169.db2.gz SOIAPDHMCMTDGG-UHFFFAOYSA-N 1 0 324.772 1.610 20 5 DDBDRO CC[C@@H](C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CC(F)(F)F ZINC000402662908 354668868 /nfs/dbraw/zinc/66/88/68/354668868.db2.gz VELBCWXLUJVPBC-KOLCDFICSA-N 1 0 324.303 1.720 20 5 DDBDRO CC(=O)c1cc(N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000405314984 354678288 /nfs/dbraw/zinc/67/82/88/354678288.db2.gz QWCWAVNIMZNHNS-QWHCGFSZSA-N 1 0 305.334 1.053 20 5 DDBDRO CN(CCC[NH+]1CCCC1)c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000358688202 299220685 /nfs/dbraw/zinc/22/06/85/299220685.db2.gz UKJSSMFFUVLPGE-UHFFFAOYSA-N 1 0 304.354 1.560 20 5 DDBDRO O=C(CC[NH2+][C@H]1CC[C@H](O)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000584716211 354750933 /nfs/dbraw/zinc/75/09/33/354750933.db2.gz HCVWKTAJRIAFSP-HAQNSBGRSA-N 1 0 307.350 1.817 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000358687811 299220543 /nfs/dbraw/zinc/22/05/43/299220543.db2.gz JWTXFXJBYSIPQX-WDEREUQCSA-N 1 0 307.350 1.608 20 5 DDBDRO CN(C)C1(CS(=O)(=O)NCc2ccccc2[N+](=O)[O-])CC1 ZINC000601308745 358489700 /nfs/dbraw/zinc/48/97/00/358489700.db2.gz CTGJSSKEPODRNP-UHFFFAOYSA-N 1 0 313.379 1.108 20 5 DDBDRO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]CCCOc1ccc([N+](=O)[O-])cc1 ZINC000585816774 354853609 /nfs/dbraw/zinc/85/36/09/354853609.db2.gz FQUODIMFSXFVFH-GJZGRUSLSA-N 1 0 321.377 1.868 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@H]([NH+](C)C)[C@@H]1C ZINC000590566984 355115708 /nfs/dbraw/zinc/11/57/08/355115708.db2.gz WGGABZDGDXSHPQ-JQWIXIFHSA-N 1 0 309.370 1.041 20 5 DDBDRO COC(=O)c1ccnc(N2CCC([NH2+]C(C)C)CC2)c1[N+](=O)[O-] ZINC000590576514 355118657 /nfs/dbraw/zinc/11/86/57/355118657.db2.gz UOUWNJGGGMFFSZ-UHFFFAOYSA-N 1 0 322.365 1.743 20 5 DDBDRO COc1cccc([N+](=O)[O-])c1N1CCC([N@H+](C)CCCO)CC1 ZINC000590584457 355121016 /nfs/dbraw/zinc/12/10/16/355121016.db2.gz ITQRAQVGOFOXSE-UHFFFAOYSA-N 1 0 323.393 1.886 20 5 DDBDRO C[C@@H](CSc1nc2cc([N+](=O)[O-])ccc2c(=O)n1C)[NH+](C)C ZINC000358852414 291055762 /nfs/dbraw/zinc/05/57/62/291055762.db2.gz WIJRQAPRGIDQLI-VIFPVBQESA-N 1 0 322.390 1.884 20 5 DDBDRO COc1cc(CNC[C@H]2CCCC[NH2+]2)c([N+](=O)[O-])cc1OC ZINC000591275581 355275420 /nfs/dbraw/zinc/27/54/20/355275420.db2.gz GKDQUUQRVXYPOC-GFCCVEGCSA-N 1 0 309.366 1.844 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000591270482 355274559 /nfs/dbraw/zinc/27/45/59/355274559.db2.gz OVYGDNMAHVQHEN-SNVBAGLBSA-N 1 0 308.338 1.867 20 5 DDBDRO CNC(=O)c1ccc(N2CC[C@@H]3CC[NH2+][C@@H]3C2)c([N+](=O)[O-])c1 ZINC000591439386 355311240 /nfs/dbraw/zinc/31/12/40/355311240.db2.gz UKHKIEMTNXIRPB-CMPLNLGQSA-N 1 0 304.350 1.143 20 5 DDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@@H]2C[C@H](F)CN2)n1 ZINC000591579928 355330520 /nfs/dbraw/zinc/33/05/20/355330520.db2.gz ABDSFLNUEPOZJV-WUHRBBMRSA-N 1 0 311.361 1.565 20 5 DDBDRO [NH3+][C@@H]1CCC[C@@H](NCc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000591278502 355276790 /nfs/dbraw/zinc/27/67/90/355276790.db2.gz IYIWBAWDINYWCG-VXGBXAGGSA-N 1 0 307.350 1.726 20 5 DDBDRO C[C@H]([NH3+])CNC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000591304717 355285938 /nfs/dbraw/zinc/28/59/38/355285938.db2.gz HPVBLJBLJQAQBQ-VIFPVBQESA-N 1 0 322.365 1.294 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]Cc1ccc(F)cn1 ZINC000591754404 355378096 /nfs/dbraw/zinc/37/80/96/355378096.db2.gz JEKGHEQEGVTVEB-ZDUSSCGKSA-N 1 0 321.308 1.658 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000591676530 355360145 /nfs/dbraw/zinc/36/01/45/355360145.db2.gz VJIRUBREKGFBGL-GWCFXTLKSA-N 1 0 307.350 1.803 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)NCc2ccc3c(c2)C[NH2+]C3)n1 ZINC000591682087 355361987 /nfs/dbraw/zinc/36/19/87/355361987.db2.gz XLGAWJLZWRQUQC-UHFFFAOYSA-N 1 0 315.333 1.344 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000591686263 355362301 /nfs/dbraw/zinc/36/23/01/355362301.db2.gz ZQADVSKXSQUVMC-RYUDHWBXSA-N 1 0 309.341 1.950 20 5 DDBDRO Cc1n[nH]c(C(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1[N+](=O)[O-] ZINC000591893459 355414503 /nfs/dbraw/zinc/41/45/03/355414503.db2.gz YKEJWFKTCDVTSV-GHMZBOCLSA-N 1 0 307.354 1.231 20 5 DDBDRO C[C@@H]([NH3+])CNC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000592333595 355562017 /nfs/dbraw/zinc/56/20/17/355562017.db2.gz KYENCCPSUIIWCY-VXGBXAGGSA-N 1 0 320.393 1.908 20 5 DDBDRO CC[C@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC[C@@H]1[NH3+] ZINC000592330868 355560638 /nfs/dbraw/zinc/56/06/38/355560638.db2.gz DHMRDERZZVLVCC-KWQFWETISA-N 1 0 310.329 1.516 20 5 DDBDRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1Cc1ccc([N+](=O)[O-])cc1 ZINC000592525476 355612626 /nfs/dbraw/zinc/61/26/26/355612626.db2.gz OCBPUOZMDXZDRK-LBPRGKRZSA-N 1 0 306.366 1.147 20 5 DDBDRO O=[N+]([O-])c1cc2c(cc1-c1nc([C@@H]3CCC[NH2+]3)no1)OCCO2 ZINC000592356687 355566028 /nfs/dbraw/zinc/56/60/28/355566028.db2.gz FGYSYJQVSUOWMS-VIFPVBQESA-N 1 0 318.289 1.841 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000592428634 355580508 /nfs/dbraw/zinc/58/05/08/355580508.db2.gz JQPOTQULWKLUMS-NHYWBVRUSA-N 1 0 309.366 1.542 20 5 DDBDRO Cc1nn(C)c(C(=O)N[C@H]2CC[NH2+]C23CCCC3)c1[N+](=O)[O-] ZINC000592570745 355632783 /nfs/dbraw/zinc/63/27/83/355632783.db2.gz QBJLJLNWAWGTAP-JTQLQIEISA-N 1 0 307.354 1.041 20 5 DDBDRO C[N@@H+]1CCC[C@@H]1CN1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000593033286 355775050 /nfs/dbraw/zinc/77/50/50/355775050.db2.gz LVDWBFPDESQXIN-CYBMUJFWSA-N 1 0 305.382 1.206 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1[C@H](C)C[N@H+](C)[C@H](C)[C@@H]1C ZINC000593188343 355820953 /nfs/dbraw/zinc/82/09/53/355820953.db2.gz DHWAWRGMLVUYSP-UTUOFQBUSA-N 1 0 323.397 1.429 20 5 DDBDRO C[C@@H]1C[N@H+](CCO)CCN1c1ccnc2cc([N+](=O)[O-])ccc21 ZINC000593483544 355899710 /nfs/dbraw/zinc/89/97/10/355899710.db2.gz ZWHRDRQQQKASHO-GFCCVEGCSA-N 1 0 316.361 1.646 20 5 DDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@@H](CO)CCF)n1 ZINC000593719453 355975684 /nfs/dbraw/zinc/97/56/84/355975684.db2.gz YMLVWJKKAXCGEZ-GRYCIOLGSA-N 1 0 300.334 1.585 20 5 DDBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000593903775 356050672 /nfs/dbraw/zinc/05/06/72/356050672.db2.gz NKBPVTOIBWMHEA-LSDHHAIUSA-N 1 0 319.361 1.620 20 5 DDBDRO COc1ccc(CNC(=O)[C@H]2CC[C@H](C3CC3)[NH2+]2)cc1[N+](=O)[O-] ZINC000593903787 356050737 /nfs/dbraw/zinc/05/07/37/356050737.db2.gz NUKGNLIFXSCHSN-CHWSQXEVSA-N 1 0 319.361 1.750 20 5 DDBDRO C[NH+](C)CC[C@@H](N)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000593906635 356052447 /nfs/dbraw/zinc/05/24/47/356052447.db2.gz KXQYJPCDMFCVTE-OAHLLOKOSA-N 1 0 320.393 1.365 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NCCC1CC[NH2+]CC1 ZINC000593919650 356061303 /nfs/dbraw/zinc/06/13/03/356061303.db2.gz WLTICOUQOYHYBP-UHFFFAOYSA-N 1 0 307.350 1.723 20 5 DDBDRO CC[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCCCO1 ZINC000594045721 356098238 /nfs/dbraw/zinc/09/82/38/356098238.db2.gz YWTUVZCODHOIRH-RDBSUJKOSA-N 1 0 312.370 1.090 20 5 DDBDRO CCC[NH+]1CCC(CNC(=O)c2ccc([N+](=O)[O-])n2C)CC1 ZINC000346664315 283142376 /nfs/dbraw/zinc/14/23/76/283142376.db2.gz YEWMETVNPQPURJ-UHFFFAOYSA-N 1 0 308.382 1.785 20 5 DDBDRO O=C([C@H]1C[C@]12CCC[NH2+]C2)N1CCc2c1cccc2[N+](=O)[O-] ZINC000594447926 356219950 /nfs/dbraw/zinc/21/99/50/356219950.db2.gz XVMSGUPIGLGNNN-WBMJQRKESA-N 1 0 301.346 1.874 20 5 DDBDRO CCc1ccc(C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000594392611 356195087 /nfs/dbraw/zinc/19/50/87/356195087.db2.gz IOUFXZSQMSRJAR-UONOGXRCSA-N 1 0 319.361 1.048 20 5 DDBDRO Cc1n[nH]c(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000594418450 356203937 /nfs/dbraw/zinc/20/39/37/356203937.db2.gz JBAFFCZSRDJNJH-QWRGUYRKSA-N 1 0 307.354 1.373 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000594427435 356207774 /nfs/dbraw/zinc/20/77/74/356207774.db2.gz IGBMAUWERUKHJN-XJKSGUPXSA-N 1 0 319.361 1.609 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCC[C@H](C)[NH+](C)C ZINC000594817926 356327000 /nfs/dbraw/zinc/32/70/00/356327000.db2.gz WDWMVEVMAIWCIT-NSHDSACASA-N 1 0 315.395 1.522 20 5 DDBDRO COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000594919354 356354210 /nfs/dbraw/zinc/35/42/10/356354210.db2.gz YIAJGQDGBQSXRD-ZMLRMANQSA-N 1 0 308.334 1.891 20 5 DDBDRO COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000594919352 356354397 /nfs/dbraw/zinc/35/43/97/356354397.db2.gz YIAJGQDGBQSXRD-MVWJERBFSA-N 1 0 308.334 1.891 20 5 DDBDRO COCCN1CC[C@@H]([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000595019554 356373094 /nfs/dbraw/zinc/37/30/94/356373094.db2.gz QXZWBVXBCNAQGA-CHWSQXEVSA-N 1 0 323.393 1.975 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N(C)CC(C)(C)[NH3+] ZINC000595116547 356384882 /nfs/dbraw/zinc/38/48/82/356384882.db2.gz RSGFWLFGDBYCER-UHFFFAOYSA-N 1 0 315.395 1.569 20 5 DDBDRO O=C(c1ccc([N+](=O)[O-])cn1)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000595224878 356411370 /nfs/dbraw/zinc/41/13/70/356411370.db2.gz JEIRUCFESFONGK-DOMZBBRYSA-N 1 0 318.377 1.984 20 5 DDBDRO CO[C@@H](CN1CCc2ncc([N+](=O)[O-])cc2C1)[C@@H]1CCOC1 ZINC000595423133 356486437 /nfs/dbraw/zinc/48/64/37/356486437.db2.gz JNELLYZVTAEFPK-ABAIWWIYSA-N 1 0 307.350 1.399 20 5 DDBDRO O=[N+]([O-])c1ccc(-c2noc(C[NH2+][C@@H](CO)C3CCC3)n2)cc1 ZINC000595615492 356578381 /nfs/dbraw/zinc/57/83/81/356578381.db2.gz HOMRRJRIWGJKPL-ZDUSSCGKSA-N 1 0 318.333 1.895 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H](CO)C1CCC1 ZINC000595617461 356579123 /nfs/dbraw/zinc/57/91/23/356579123.db2.gz UGGMJDXZIGNABO-CHWSQXEVSA-N 1 0 310.350 1.085 20 5 DDBDRO COc1cc(C[N@@H+]2CCC[C@@](CO)(OC)C2)ccc1[N+](=O)[O-] ZINC000595660251 356596549 /nfs/dbraw/zinc/59/65/49/356596549.db2.gz TVJYGDFAFWBDRL-OAHLLOKOSA-N 1 0 310.350 1.577 20 5 DDBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C[C@@H]1COCCO1 ZINC000595734851 356627497 /nfs/dbraw/zinc/62/74/97/356627497.db2.gz CCNCDPOVGGYQCJ-GFCCVEGCSA-N 1 0 323.349 1.271 20 5 DDBDRO CN(C(=O)C[NH2+][C@H]1C[C@@H](O)C12CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000595782513 356650591 /nfs/dbraw/zinc/65/05/91/356650591.db2.gz OPQDLZMFNXERAT-UONOGXRCSA-N 1 0 319.361 1.451 20 5 DDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NCC(C)(C)[NH3+])cc1OC ZINC000237069839 202142372 /nfs/dbraw/zinc/14/23/72/202142372.db2.gz RLSBNYRBJNZJIA-UHFFFAOYSA-N 1 0 311.338 1.469 20 5 DDBDRO CC(C)(C(=O)N1CC2CC1(C[NH3+])C2)c1ccc([N+](=O)[O-])cc1 ZINC000595944080 356716400 /nfs/dbraw/zinc/71/64/00/356716400.db2.gz UQYXFXKMERBBPD-UHFFFAOYSA-N 1 0 303.362 1.822 20 5 DDBDRO C[C@@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1nccn1C ZINC000596065649 356759444 /nfs/dbraw/zinc/75/94/44/356759444.db2.gz IMKDMBYZRBWYEY-YPMHNXCESA-N 1 0 320.349 1.419 20 5 DDBDRO CC[NH+]1CCN(CCNc2c(OC)cccc2[N+](=O)[O-])CC1 ZINC000596075099 356763588 /nfs/dbraw/zinc/76/35/88/356763588.db2.gz YUTSLXFHLCLXFL-UHFFFAOYSA-N 1 0 308.382 1.653 20 5 DDBDRO COc1cc(N[C@H](C)CN2CC[NH+](C)CC2)c([N+](=O)[O-])cc1C ZINC000596123177 356781911 /nfs/dbraw/zinc/78/19/11/356781911.db2.gz LFJNYJXJESWWKG-CYBMUJFWSA-N 1 0 322.409 1.960 20 5 DDBDRO C[N@H+](CCCCNc1ccc([N+](=O)[O-])c(C(N)=O)c1)C1CC1 ZINC000596260841 356835594 /nfs/dbraw/zinc/83/55/94/356835594.db2.gz LJZKCLQPRGESPS-UHFFFAOYSA-N 1 0 306.366 1.980 20 5 DDBDRO CC1(C)CCC[N@@H+]1CCNc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596265211 356838010 /nfs/dbraw/zinc/83/80/10/356838010.db2.gz HAXWOIOMUGUTNG-UHFFFAOYSA-N 1 0 306.366 1.980 20 5 DDBDRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000597532409 357212052 /nfs/dbraw/zinc/21/20/52/357212052.db2.gz KTHNIBPJSFNIPU-GHMZBOCLSA-N 1 0 321.333 1.536 20 5 DDBDRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000597859616 357361044 /nfs/dbraw/zinc/36/10/44/357361044.db2.gz WITWWHKSYVYJDB-JTQLQIEISA-N 1 0 306.366 1.780 20 5 DDBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000597859538 357361235 /nfs/dbraw/zinc/36/12/35/357361235.db2.gz FFAVXBWBFWLNAE-NSHDSACASA-N 1 0 306.366 1.840 20 5 DDBDRO CCN(C(=O)COc1ccccc1[N+](=O)[O-])[C@@H]1CC[N@H+](CC)C1 ZINC000598042565 357439068 /nfs/dbraw/zinc/43/90/68/357439068.db2.gz PSFJWMCSRNONPV-CYBMUJFWSA-N 1 0 321.377 1.916 20 5 DDBDRO O=C(N[C@H]1CC[N@@H+](C2CCCCC2)C1)c1cc([N+](=O)[O-])n[nH]1 ZINC000598218997 357497354 /nfs/dbraw/zinc/49/73/54/357497354.db2.gz KKOYTSMLHQAABP-JTQLQIEISA-N 1 0 307.354 1.455 20 5 DDBDRO Nc1c(C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)cc(F)cc1[N+](=O)[O-] ZINC000598668058 357678368 /nfs/dbraw/zinc/67/83/68/357678368.db2.gz OOYCRTMGTOPSOU-RTHLEPHNSA-N 1 0 308.313 1.270 20 5 DDBDRO COc1ccc(CC(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)cc1[N+](=O)[O-] ZINC000598671098 357679517 /nfs/dbraw/zinc/67/95/17/357679517.db2.gz YQNLAMCCDKSCAE-BLLLJJGKSA-N 1 0 319.361 1.486 20 5 DDBDRO CCCN(C(=O)COc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[NH2+]C1 ZINC000178896327 198948584 /nfs/dbraw/zinc/94/85/84/198948584.db2.gz CUHSNIOPEPMWER-CYBMUJFWSA-N 1 0 307.350 1.574 20 5 DDBDRO CC(=O)N1CC[C@@H]([NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000598679670 357684256 /nfs/dbraw/zinc/68/42/56/357684256.db2.gz KUVSOBHFGWOELM-RDBSUJKOSA-N 1 0 321.381 1.485 20 5 DDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000599106139 357817382 /nfs/dbraw/zinc/81/73/82/357817382.db2.gz SIWULRROSSDRNZ-MWLCHTKSSA-N 1 0 313.379 1.322 20 5 DDBDRO O=[N+]([O-])c1cnc2ccccc2c1NCC[N@H+]1CC[C@H](O)C1 ZINC000599199468 357848003 /nfs/dbraw/zinc/84/80/03/357848003.db2.gz LPSGVMSQCJCSPY-NSHDSACASA-N 1 0 302.334 1.043 20 5 DDBDRO CC[NH+](CC)CCNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000179561763 199055346 /nfs/dbraw/zinc/05/53/46/199055346.db2.gz FFGUSAVKXANJGP-UHFFFAOYSA-N 1 0 321.424 1.814 20 5 DDBDRO C[NH2+]C[C@H]1CCCN(C(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000237293669 202219388 /nfs/dbraw/zinc/21/93/88/202219388.db2.gz USWSDWBZOMSUKD-GFCCVEGCSA-N 1 0 307.350 1.432 20 5 DDBDRO C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1CCCO1 ZINC000180452402 199161230 /nfs/dbraw/zinc/16/12/30/199161230.db2.gz SBZVOMFDJUSLEN-HUBLWGQQSA-N 1 0 321.377 1.929 20 5 DDBDRO C[NH2+]CC1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000237325419 202231835 /nfs/dbraw/zinc/23/18/35/202231835.db2.gz WIMDFMQVEPCKLL-UHFFFAOYSA-N 1 0 306.366 1.465 20 5 DDBDRO O=C(Cc1ccccc1[N+](=O)[O-])N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000601557417 358599851 /nfs/dbraw/zinc/59/98/51/358599851.db2.gz OVFXKEPMNFIIIW-KGLIPLIRSA-N 1 0 303.362 1.738 20 5 DDBDRO CCC[N@H+](C)CC(=O)N[C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000601775615 358689704 /nfs/dbraw/zinc/68/97/04/358689704.db2.gz GMVPMGCBAMOCIP-HNNXBMFYSA-N 1 0 309.366 1.260 20 5 DDBDRO C[C@](O)(C[C@H](O)C[NH2+]CCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000601964697 358755924 /nfs/dbraw/zinc/75/59/24/358755924.db2.gz LNTDLACITWQJTD-HOTGVXAUSA-N 1 0 308.378 1.639 20 5 DDBDRO O=[N+]([O-])c1nccn1C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000601965308 358755975 /nfs/dbraw/zinc/75/59/75/358755975.db2.gz UAPAUJNZAZIPRZ-OAHLLOKOSA-N 1 0 302.334 1.428 20 5 DDBDRO Cc1c(CC(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cccc1[N+](=O)[O-] ZINC000601970995 358759651 /nfs/dbraw/zinc/75/96/51/358759651.db2.gz SLJQINIOSFRQJQ-CALCHBBNSA-N 1 0 317.389 1.904 20 5 DDBDRO COc1ccc(C(=O)N[C@]23CCC[C@@H]2C[NH2+]C3)cc1[N+](=O)[O-] ZINC000601975547 358761929 /nfs/dbraw/zinc/76/19/29/358761929.db2.gz QJBQSWFLTWGFGM-ABAIWWIYSA-N 1 0 305.334 1.475 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1C[C@H]([NH+](C)C)C1(C)C ZINC000602175166 358864412 /nfs/dbraw/zinc/86/44/12/358864412.db2.gz WOTQJNVOLNUICW-NEPJUHHUSA-N 1 0 323.397 1.335 20 5 DDBDRO C[C@@H]1CN(CC[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CCO1 ZINC000602545317 359037285 /nfs/dbraw/zinc/03/72/85/359037285.db2.gz PJCAXHXCUUTKDH-LLVKDONJSA-N 1 0 320.349 1.546 20 5 DDBDRO CCOC(=O)[C@]1(C(C)C)CC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602635833 359089554 /nfs/dbraw/zinc/08/95/54/359089554.db2.gz CCEKWIIVBNMOKE-OAHLLOKOSA-N 1 0 324.381 1.740 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@@H](O)C3CCC3)CC2)cn1 ZINC000602680704 359122236 /nfs/dbraw/zinc/12/22/36/359122236.db2.gz GDHYEVLEVHVCKA-OAHLLOKOSA-N 1 0 320.393 1.709 20 5 DDBDRO CC[N@@H+]1CC[C@@H](N(C)CCn2c(C)ncc2[N+](=O)[O-])C[C@H]1C ZINC000602775857 359182698 /nfs/dbraw/zinc/18/26/98/359182698.db2.gz CIDNRSDEAMTOPM-TZMCWYRMSA-N 1 0 309.414 1.904 20 5 DDBDRO CC(C)[C@@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])C1(CO)CCCC1 ZINC000602835932 359226783 /nfs/dbraw/zinc/22/67/83/359226783.db2.gz ALTWBEZSPJWDGL-CYBMUJFWSA-N 1 0 310.398 1.995 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000602834801 359226807 /nfs/dbraw/zinc/22/68/07/359226807.db2.gz DBHAWFYFOGUPOM-OAHLLOKOSA-N 1 0 307.398 1.517 20 5 DDBDRO CS[C@@H]1CN(CCn2c(C)ncc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000602797269 359198928 /nfs/dbraw/zinc/19/89/28/359198928.db2.gz IBPQQAYJLGVXTI-NWDGAFQWSA-N 1 0 313.427 1.077 20 5 DDBDRO Cn1cc(C[NH2+][C@H]2CCN(C)[C@@H]2c2ccccc2)c([N+](=O)[O-])n1 ZINC000602822940 359217229 /nfs/dbraw/zinc/21/72/29/359217229.db2.gz HJXFEDOHUVNYHR-LSDHHAIUSA-N 1 0 315.377 1.863 20 5 DDBDRO Cc1cncc([N+](=O)[O-])c1NC(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000602949334 359315025 /nfs/dbraw/zinc/31/50/25/359315025.db2.gz YKBDPJGSDPBLLM-UHFFFAOYSA-N 1 0 307.354 1.278 20 5 DDBDRO C[C@](CO)([NH2+]CCn1cc(Cl)cn1)c1cccc([N+](=O)[O-])c1 ZINC000602962985 359326831 /nfs/dbraw/zinc/32/68/31/359326831.db2.gz QSOCOIRDQXFEQJ-CQSZACIVSA-N 1 0 324.768 1.942 20 5 DDBDRO C[C@H](c1cccc([N+](=O)[O-])c1)n1cc(C[C@H]2CC[NH2+]C2)nn1 ZINC000603185826 359465377 /nfs/dbraw/zinc/46/53/77/359465377.db2.gz OBNPPLBWRWYEIQ-VXGBXAGGSA-N 1 0 301.350 1.948 20 5 DDBDRO C[NH2+]C(C)(C)c1cn(Cc2cc(OC)c(F)cc2[N+](=O)[O-])nn1 ZINC000603240229 359507143 /nfs/dbraw/zinc/50/71/43/359507143.db2.gz YSQFHSSHJKYJEW-UHFFFAOYSA-N 1 0 323.328 1.837 20 5 DDBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CC1(CO)CC1 ZINC000186813288 200014926 /nfs/dbraw/zinc/01/49/26/200014926.db2.gz BKKWDKCNUVSCTD-UHFFFAOYSA-N 1 0 307.350 1.628 20 5 DDBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC([N@H+]2CCOC[C@H]2C)CC1 ZINC000603402027 359617408 /nfs/dbraw/zinc/61/74/08/359617408.db2.gz LNTLALXWOAPWBU-CYBMUJFWSA-N 1 0 320.393 1.988 20 5 DDBDRO Cn1cc(CN2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c([N+](=O)[O-])n1 ZINC000603430810 359634715 /nfs/dbraw/zinc/63/47/15/359634715.db2.gz VAKBWAAXQAJUND-SCZZXKLOSA-N 1 0 321.303 1.287 20 5 DDBDRO CNS(=O)(=O)CC[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000187172232 200071979 /nfs/dbraw/zinc/07/19/79/200071979.db2.gz QMLSGTTUXUVVMG-SNVBAGLBSA-N 1 0 301.368 1.103 20 5 DDBDRO CC[C@]1(CO)CCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000187592608 200132169 /nfs/dbraw/zinc/13/21/69/200132169.db2.gz FZHXHBZMTOXQAF-INIZCTEOSA-N 1 0 321.377 1.678 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCC[NH+]2CCC(C)CC2)n1 ZINC000281060984 216053120 /nfs/dbraw/zinc/05/31/20/216053120.db2.gz YUVGJJKJTKKQSH-UHFFFAOYSA-N 1 0 322.365 1.920 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[C@H]([NH2+]C(C)C)C1 ZINC000609135399 360263472 /nfs/dbraw/zinc/26/34/72/360263472.db2.gz IIENKXAVRMEUNC-LBPRGKRZSA-N 1 0 309.370 1.089 20 5 DDBDRO COc1ccc(C[NH2+]C[C@H]2CNc3ccnn3C2)cc1[N+](=O)[O-] ZINC000609406689 360304396 /nfs/dbraw/zinc/30/43/96/360304396.db2.gz HRQYWDQGGDXEHS-LBPRGKRZSA-N 1 0 317.349 1.631 20 5 DDBDRO COCC[N@@H+]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2C)C1 ZINC000609269645 360285607 /nfs/dbraw/zinc/28/56/07/360285607.db2.gz UHUZLFGDZFDJOD-ZDUSSCGKSA-N 1 0 321.377 1.744 20 5 DDBDRO CNC(=O)[C@]1(C)CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000281208481 216153584 /nfs/dbraw/zinc/15/35/84/216153584.db2.gz SHYKSTFTRNIZQO-OAHLLOKOSA-N 1 0 307.350 1.432 20 5 DDBDRO C[C@H](NC(=O)CNc1ccccc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000609583834 360329168 /nfs/dbraw/zinc/32/91/68/360329168.db2.gz YDVWELWDHYLFLL-LBPRGKRZSA-N 1 0 320.393 1.853 20 5 DDBDRO CN(CC(=O)N[C@H]1CCC[N@H+](C)C1)c1ccccc1[N+](=O)[O-] ZINC000610292836 360410984 /nfs/dbraw/zinc/41/09/84/360410984.db2.gz QJOJKEIKAZPASC-LBPRGKRZSA-N 1 0 306.366 1.241 20 5 DDBDRO CC[C@H]1C[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@H]1O ZINC000611287539 360689890 /nfs/dbraw/zinc/68/98/90/360689890.db2.gz HFCOGYMXJSLJBM-GXFFZTMASA-N 1 0 308.334 1.569 20 5 DDBDRO CC1(C)[C@H]([NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]2CCO[C@H]21 ZINC000271899459 209308345 /nfs/dbraw/zinc/30/83/45/209308345.db2.gz VHSVESKTYMEWJP-COLVAYQJSA-N 1 0 319.361 1.936 20 5 DDBDRO O=[N+]([O-])c1cnc(N2CCC[N@H+](C[C@@H]3CCCO3)CC2)nc1 ZINC000612778501 361142542 /nfs/dbraw/zinc/14/25/42/361142542.db2.gz LVZLZLUYQLTMEU-ZDUSSCGKSA-N 1 0 307.354 1.076 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NCC(C)(C)[NH3+])c1 ZINC000193296111 201023414 /nfs/dbraw/zinc/02/34/14/201023414.db2.gz NLOVISDQFPKDJV-UHFFFAOYSA-N 1 0 321.786 1.572 20 5 DDBDRO Cc1cc(C)c(S(=O)(=O)NCCCC[NH3+])cc1[N+](=O)[O-] ZINC000193315465 201027886 /nfs/dbraw/zinc/02/78/86/201027886.db2.gz DCYYCJQAIXDXIO-UHFFFAOYSA-N 1 0 301.368 1.229 20 5 DDBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195215641 201359787 /nfs/dbraw/zinc/35/97/87/201359787.db2.gz SKZCWLCEYCGWLO-SDDRHHMPSA-N 1 0 321.402 1.753 20 5 DDBDRO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC[NH2+]1 ZINC000275499870 212375441 /nfs/dbraw/zinc/37/54/41/212375441.db2.gz DJBQKHXQIFQIKB-JTQLQIEISA-N 1 0 300.318 1.577 20 5 DDBDRO [NH3+]C1CC(NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000359281847 299393754 /nfs/dbraw/zinc/39/37/54/299393754.db2.gz RLJZRRYXKGPFHY-UHFFFAOYSA-N 1 0 305.743 1.016 20 5 DDBDRO C[NH2+][C@H](C)CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000261644969 203087424 /nfs/dbraw/zinc/08/74/24/203087424.db2.gz DNYCOGRTPCOJMX-LLVKDONJSA-N 1 0 306.366 1.533 20 5 DDBDRO O=C(CNc1ccccc1[N+](=O)[O-])N1CCC2(CC[NH2+]C2)CC1 ZINC000261708120 203098891 /nfs/dbraw/zinc/09/88/91/203098891.db2.gz GACJNXKQOQKFNP-UHFFFAOYSA-N 1 0 318.377 1.609 20 5 DDBDRO C[NH2+][C@H](C)CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000261780219 203115638 /nfs/dbraw/zinc/11/56/38/203115638.db2.gz QAPJLWFCDYKURQ-SNVBAGLBSA-N 1 0 303.322 1.118 20 5 DDBDRO Cc1ccc(C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)cc1[N+](=O)[O-] ZINC000261821034 203125883 /nfs/dbraw/zinc/12/58/83/203125883.db2.gz HGMPKQZJBUZUEQ-CQSZACIVSA-N 1 0 318.377 1.023 20 5 DDBDRO C[C@H]1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000261895418 203145209 /nfs/dbraw/zinc/14/52/09/203145209.db2.gz VSMWSSXNCSATSU-RYUDHWBXSA-N 1 0 306.366 1.593 20 5 DDBDRO COc1ccc(C(=O)N2CCCC[C@H]2CC[NH3+])cc1[N+](=O)[O-] ZINC000261971976 203164110 /nfs/dbraw/zinc/16/41/10/203164110.db2.gz QFRFLSPUKIXDFE-LBPRGKRZSA-N 1 0 307.350 1.947 20 5 DDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000261986927 203167966 /nfs/dbraw/zinc/16/79/66/203167966.db2.gz SHJOWPZTYDAUGO-ZDUSSCGKSA-N 1 0 303.362 1.943 20 5 DDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000262195155 203227175 /nfs/dbraw/zinc/22/71/75/203227175.db2.gz MLWIIHLBQOUTIY-UHFFFAOYSA-N 1 0 318.377 1.781 20 5 DDBDRO COc1cc(OCC(=O)NCC[C@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000262574647 203336960 /nfs/dbraw/zinc/33/69/60/203336960.db2.gz IVIIZCDHWUVDIG-LLVKDONJSA-N 1 0 323.349 1.098 20 5 DDBDRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000262592001 203342684 /nfs/dbraw/zinc/34/26/84/203342684.db2.gz RSZSTINSKBLDAZ-QWHCGFSZSA-N 1 0 321.377 1.950 20 5 DDBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000350764128 284256997 /nfs/dbraw/zinc/25/69/97/284256997.db2.gz OCZHPQOVCHXRQF-AWEZNQCLSA-N 1 0 307.398 1.455 20 5 DDBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2[nH]nc(C)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000266111912 205107707 /nfs/dbraw/zinc/10/77/07/205107707.db2.gz VGVKNXXJQLGLJW-ONGXEEELSA-N 1 0 309.370 1.429 20 5 DDBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000351501957 284349252 /nfs/dbraw/zinc/34/92/52/284349252.db2.gz YLRDAZUDASIJTO-MROQNXINSA-N 1 0 318.377 1.591 20 5 DDBDRO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261724416 296210246 /nfs/dbraw/zinc/21/02/46/296210246.db2.gz QKRSPVBUCMNKNZ-VHSXEESVSA-N 1 0 309.753 1.930 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCCC[NH2+]C1CC1 ZINC000036267500 248183621 /nfs/dbraw/zinc/18/36/21/248183621.db2.gz MDZDSYMSVGSQNB-UHFFFAOYSA-N 1 0 313.379 1.324 20 5 DDBDRO CCN(CCC[NH2+]Cc1ccccc1[N+](=O)[O-])S(C)(=O)=O ZINC000038035485 182975474 /nfs/dbraw/zinc/97/54/74/182975474.db2.gz PVIFTLMQPPCYBX-UHFFFAOYSA-N 1 0 315.395 1.356 20 5 DDBDRO C[N@H+]1CC=C(CNC(=O)NCCc2ccccc2[N+](=O)[O-])CC1 ZINC000271865282 209278393 /nfs/dbraw/zinc/27/83/93/209278393.db2.gz JCTHCFDCNNYAMF-UHFFFAOYSA-N 1 0 318.377 1.698 20 5 DDBDRO O=[N+]([O-])c1cnccc1NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000337145336 249364346 /nfs/dbraw/zinc/36/43/46/249364346.db2.gz PGGWYVGPGQRTGT-ZBFHGGJFSA-N 1 0 320.393 1.592 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@H]2CCCC[C@H]2OC(F)F)c1 ZINC000337405676 249480833 /nfs/dbraw/zinc/48/08/33/249480833.db2.gz LRZPTENFRDZEAF-WDEREUQCSA-N 1 0 304.297 1.931 20 5 DDBDRO CCCN(CC[NH+](CC)CC)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000274061876 211321041 /nfs/dbraw/zinc/32/10/41/211321041.db2.gz OWEBPNRNPMYRMF-UHFFFAOYSA-N 1 0 311.386 1.372 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000338593847 250046427 /nfs/dbraw/zinc/04/64/27/250046427.db2.gz VDVUSJJYSFGTSV-CYBMUJFWSA-N 1 0 307.350 1.750 20 5 DDBDRO CC[NH+]1CCC(N(C)C(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000105599438 194113519 /nfs/dbraw/zinc/11/35/19/194113519.db2.gz OKSJZGNUGCGQBZ-UHFFFAOYSA-N 1 0 320.393 1.949 20 5 DDBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCN1CCCOCC1 ZINC000567406527 304217861 /nfs/dbraw/zinc/21/78/61/304217861.db2.gz LEZBUPLKZHCCGD-HNNXBMFYSA-N 1 0 305.378 1.894 20 5 DDBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CN(C)CCN2C)cc1[N+](=O)[O-] ZINC000268847713 207014290 /nfs/dbraw/zinc/01/42/90/207014290.db2.gz BQBWEFGGCYOTGC-HIFRSBDPSA-N 1 0 306.410 1.800 20 5 DDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCCOC2)cc1 ZINC000273449372 210784611 /nfs/dbraw/zinc/78/46/11/210784611.db2.gz OJFWBKFQEKEKNJ-LLVKDONJSA-N 1 0 314.363 1.137 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000110797407 194359100 /nfs/dbraw/zinc/35/91/00/194359100.db2.gz MTAQSWUIXFJGSZ-NSHDSACASA-N 1 0 313.379 1.181 20 5 DDBDRO Cc1c(NC(=O)CC[N@H+]2C[C@@H](O)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000340982359 251317829 /nfs/dbraw/zinc/31/78/29/251317829.db2.gz YTDXEHQHVMOBQV-JQWIXIFHSA-N 1 0 307.350 1.687 20 5 DDBDRO C[NH2+][C@H]1CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000269135039 207265464 /nfs/dbraw/zinc/26/54/64/207265464.db2.gz QCWLUJFZWINFEV-ZDUSSCGKSA-N 1 0 306.366 1.607 20 5 DDBDRO C[NH2+]Cc1cccc(NC(=O)CCn2cc([N+](=O)[O-])nc2C)c1 ZINC000269137007 207267234 /nfs/dbraw/zinc/26/72/34/207267234.db2.gz TXFHYJSAMLHPQQ-UHFFFAOYSA-N 1 0 317.349 1.848 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1CN2CCC1CC2 ZINC001120480805 781973706 /nfs/dbraw/zinc/97/37/06/781973706.db2.gz DTEJDTVXYSJXLR-ZIAGYGMSSA-N 1 0 321.377 1.018 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+](CCO)CC1CC1 ZINC000352479060 285080468 /nfs/dbraw/zinc/08/04/68/285080468.db2.gz AFFUJSPQDKNMKU-ZDUSSCGKSA-N 1 0 310.350 1.039 20 5 DDBDRO C[C@@H](CC[NH+](C)C)NC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000270355530 208431077 /nfs/dbraw/zinc/43/10/77/208431077.db2.gz QAMSPFYSSBZPMV-LBPRGKRZSA-N 1 0 308.382 1.777 20 5 DDBDRO CNc1nc(C(=O)NCC[C@H]2CCC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000458216831 533076814 /nfs/dbraw/zinc/07/68/14/533076814.db2.gz VPLPULVINRFJCW-LLVKDONJSA-N 1 0 321.381 1.493 20 5 DDBDRO COCCOC[C@@H](O)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000294887108 533109395 /nfs/dbraw/zinc/10/93/95/533109395.db2.gz CQZMAJFVUMBAGI-OCCSQVGLSA-N 1 0 312.366 1.578 20 5 DDBDRO COc1ccc(NC(=O)C[N@H+](C)[C@H]2CCC[C@@H]2O)c([N+](=O)[O-])c1 ZINC000352662261 285206307 /nfs/dbraw/zinc/20/63/07/285206307.db2.gz XZCYHPJLRHQGIV-JSGCOSHPSA-N 1 0 323.349 1.387 20 5 DDBDRO O=C(NCCCCC[NH+]1CCCCC1)c1[nH]ncc1[N+](=O)[O-] ZINC000155036845 197016234 /nfs/dbraw/zinc/01/62/34/197016234.db2.gz ORVORNSYMBKEJU-UHFFFAOYSA-N 1 0 309.370 1.704 20 5 DDBDRO COc1ccc(C[NH2+]CCN2CCCOCC2)cc1[N+](=O)[O-] ZINC000289406901 220949719 /nfs/dbraw/zinc/94/97/19/220949719.db2.gz HFMXRTUXOWGUBG-UHFFFAOYSA-N 1 0 309.366 1.415 20 5 DDBDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000352798025 285307764 /nfs/dbraw/zinc/30/77/64/285307764.db2.gz WYQUJYBNQKUMCP-STQMWFEESA-N 1 0 321.377 1.915 20 5 DDBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CCN1CCC(O)CC1 ZINC000294902106 224297112 /nfs/dbraw/zinc/29/71/12/224297112.db2.gz RRFUUHQQJOMHEZ-HWKANZROSA-N 1 0 305.378 1.654 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000414647743 533226937 /nfs/dbraw/zinc/22/69/37/533226937.db2.gz ACPNTRBJHINOGA-CABZTGNLSA-N 1 0 308.338 1.723 20 5 DDBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N1CCC[C@@]12CC[NH2+]C2 ZINC001120495005 781983465 /nfs/dbraw/zinc/98/34/65/781983465.db2.gz DWSSGGTXJDNJNZ-HNNXBMFYSA-N 1 0 304.350 1.632 20 5 DDBDRO C[NH+](C)C1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000072027798 184923588 /nfs/dbraw/zinc/92/35/88/184923588.db2.gz ZUGAXCVLJVSXFV-UHFFFAOYSA-N 1 0 320.393 1.949 20 5 DDBDRO C[N@@H+]1CC[C@H](Cn2nc(-c3ccc([N+](=O)[O-])cc3)oc2=O)C1 ZINC000352914892 285384337 /nfs/dbraw/zinc/38/43/37/285384337.db2.gz MSIUHKSGNYGFSV-JTQLQIEISA-N 1 0 304.306 1.363 20 5 DDBDRO COc1cc(C(=O)N[C@H](C)CC[NH+](C)C)c([N+](=O)[O-])cc1F ZINC000295021591 533551107 /nfs/dbraw/zinc/55/11/07/533551107.db2.gz ZJYKPMGLHQFPQM-SECBINFHSA-N 1 0 313.329 1.813 20 5 DDBDRO COc1cc(C(=O)N[C@H](CC[NH3+])C(F)F)cc([N+](=O)[O-])c1C ZINC000423685800 533553102 /nfs/dbraw/zinc/55/31/02/533553102.db2.gz SYSKFAIYRCAFRH-SECBINFHSA-N 1 0 317.292 1.624 20 5 DDBDRO COc1ccc(CNC(=O)N[C@@H]2CCCC[C@H]2[NH3+])cc1[N+](=O)[O-] ZINC000424451031 533625208 /nfs/dbraw/zinc/62/52/08/533625208.db2.gz CLUGYTGSKHPTTR-VXGBXAGGSA-N 1 0 322.365 1.673 20 5 DDBDRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000417952003 533667105 /nfs/dbraw/zinc/66/71/05/533667105.db2.gz XPXCGCZOJNRECS-FZMZJTMJSA-N 1 0 306.366 1.435 20 5 DDBDRO Cc1n[nH]c(C(=O)NCc2ccc([C@@H](C)[NH3+])cc2)c1[N+](=O)[O-] ZINC000429489537 533667340 /nfs/dbraw/zinc/66/73/40/533667340.db2.gz AYEBCLFCFUISMW-MRVPVSSYSA-N 1 0 303.322 1.576 20 5 DDBDRO Cc1ccc(NC(=O)C(=O)N2CCC[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000568963697 304324411 /nfs/dbraw/zinc/32/44/11/304324411.db2.gz KBZLCFDRYYRATN-LLVKDONJSA-N 1 0 320.349 1.039 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000420306754 292295355 /nfs/dbraw/zinc/29/53/55/292295355.db2.gz BBXJLPPCFDPGHN-GDBMZVCRSA-N 1 0 318.421 1.944 20 5 DDBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H](C)N1CC[NH+](C)CC1 ZINC000360960365 299783230 /nfs/dbraw/zinc/78/32/30/299783230.db2.gz KWUJWSXHEXOGKO-LLVKDONJSA-N 1 0 310.402 1.167 20 5 DDBDRO CC[NH+](CC)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000028051020 406915448 /nfs/dbraw/zinc/91/54/48/406915448.db2.gz JFCNQFXXMUSYOH-UHFFFAOYSA-N 1 0 301.368 1.215 20 5 DDBDRO CC(C)[NH+]1CCN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000078344743 407025182 /nfs/dbraw/zinc/02/51/82/407025182.db2.gz IMCQRGKWHAIMRQ-CYBMUJFWSA-N 1 0 320.393 1.948 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H](C[NH3+])C2CC2)cc1C ZINC000087384296 407120737 /nfs/dbraw/zinc/12/07/37/407120737.db2.gz ZZTAVGFTBLXQEP-LLVKDONJSA-N 1 0 313.379 1.227 20 5 DDBDRO CC[NH2+]Cc1cccc(NC(=O)Cn2ccc([N+](=O)[O-])n2)c1 ZINC000122964394 407316196 /nfs/dbraw/zinc/31/61/96/407316196.db2.gz GWNOEXLSEANPCO-UHFFFAOYSA-N 1 0 303.322 1.540 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000123141445 407320643 /nfs/dbraw/zinc/32/06/43/407320643.db2.gz SZVPXXLJKOFHKW-LLVKDONJSA-N 1 0 311.386 1.425 20 5 DDBDRO C[C@H]1CCC[N@H+](CCNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000102332302 407321565 /nfs/dbraw/zinc/32/15/65/407321565.db2.gz VKHAWOBRMHBUEZ-LBPRGKRZSA-N 1 0 323.397 1.375 20 5 DDBDRO CN(CC[NH+]1CCCC1)C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000103115835 407331053 /nfs/dbraw/zinc/33/10/53/407331053.db2.gz MHJLIYXJAQLAQV-UHFFFAOYSA-N 1 0 306.366 1.561 20 5 DDBDRO COc1cc(C(=O)N2CCC[N@H+](C)CC2)c([N+](=O)[O-])cc1OC ZINC000097617059 407300469 /nfs/dbraw/zinc/30/04/69/407300469.db2.gz BDGMUYANRVYNAE-UHFFFAOYSA-N 1 0 323.349 1.390 20 5 DDBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000101631741 407312935 /nfs/dbraw/zinc/31/29/35/407312935.db2.gz HYXZZGUQFIYTNJ-GFCCVEGCSA-N 1 0 307.350 1.818 20 5 DDBDRO O=C(Nc1ccncc1[N+](=O)[O-])N1CC[C@H]([NH+]2CCCC2)C1 ZINC000124534597 407361694 /nfs/dbraw/zinc/36/16/94/407361694.db2.gz HSRURJWYTQPABB-NSHDSACASA-N 1 0 305.338 1.692 20 5 DDBDRO C[C@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000124627602 407364108 /nfs/dbraw/zinc/36/41/08/407364108.db2.gz SKHYEUGYGRHBQM-NSHDSACASA-N 1 0 307.354 1.986 20 5 DDBDRO CC[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000270968057 407442686 /nfs/dbraw/zinc/44/26/86/407442686.db2.gz VTLDDFAQAVVHFE-RISCZKNCSA-N 1 0 307.350 1.626 20 5 DDBDRO CC(C)N(CC[NH+](C)C)C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000151891907 407522723 /nfs/dbraw/zinc/52/27/23/407522723.db2.gz ISMNWKDYOCIALP-UHFFFAOYSA-N 1 0 309.366 1.772 20 5 DDBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C1(CO)CCOCC1 ZINC000227210516 407628404 /nfs/dbraw/zinc/62/84/04/407628404.db2.gz DFSIAYUUVBLCON-UHFFFAOYSA-N 1 0 300.742 1.879 20 5 DDBDRO CC[N@H+](CCNC(=O)NCCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000266791222 407634896 /nfs/dbraw/zinc/63/48/96/407634896.db2.gz SOYQKJIRAYWMDA-UHFFFAOYSA-N 1 0 320.393 1.921 20 5 DDBDRO C[C@H]1CCCN(CC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]1C[NH3+] ZINC000261865733 407647707 /nfs/dbraw/zinc/64/77/07/407647707.db2.gz GLQLAUPDMYEUBU-SMDDNHRTSA-N 1 0 306.366 1.593 20 5 DDBDRO [NH3+]C1(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCC1 ZINC000230052691 407678258 /nfs/dbraw/zinc/67/82/58/407678258.db2.gz WKYDVKMQBLMLDG-UHFFFAOYSA-N 1 0 319.770 1.408 20 5 DDBDRO C[N@H+](CCCO)C1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000115548919 407687790 /nfs/dbraw/zinc/68/77/90/407687790.db2.gz RGLHVUJRRSZPIQ-UHFFFAOYSA-N 1 0 321.421 1.916 20 5 DDBDRO C[N@H+]1CC=C(CNC(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000272049784 407756125 /nfs/dbraw/zinc/75/61/25/407756125.db2.gz ZCOMKRRTESDFEO-UHFFFAOYSA-N 1 0 318.377 1.775 20 5 DDBDRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000186692580 407744288 /nfs/dbraw/zinc/74/42/88/407744288.db2.gz CNGILVBRZRAGIB-TVQRCGJNSA-N 1 0 311.769 1.905 20 5 DDBDRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000186749087 407763459 /nfs/dbraw/zinc/76/34/59/407763459.db2.gz KVVMOXODLDLMQS-QPUJVOFHSA-N 1 0 308.294 1.231 20 5 DDBDRO CCOC(=O)C[C@@](C)([NH2+]CCn1cc([N+](=O)[O-])cn1)C(C)C ZINC000186720030 407757589 /nfs/dbraw/zinc/75/75/89/407757589.db2.gz GAIADAIYJAJSJK-CQSZACIVSA-N 1 0 312.370 1.749 20 5 DDBDRO COc1cc(C(=O)NCC[NH2+]C2CC2)c([N+](=O)[O-])cc1OC ZINC000237254262 407807378 /nfs/dbraw/zinc/80/73/78/407807378.db2.gz AJQATNGAOYXRLY-UHFFFAOYSA-N 1 0 309.322 1.094 20 5 DDBDRO O=[N+]([O-])c1ccc(OCCN2CC[C@@](O)(C(F)(F)F)C2)cc1 ZINC000267343405 407840980 /nfs/dbraw/zinc/84/09/80/407840980.db2.gz CYSLXTMDQQTEGE-LBPRGKRZSA-N 1 0 320.267 1.973 20 5 DDBDRO CCOc1ccc([C@H](C)NC[C@H](O)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000153666949 407873649 /nfs/dbraw/zinc/87/36/49/407873649.db2.gz SZUHGZYVQCRGRR-AAEUAGOBSA-N 1 0 311.382 1.567 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CC[N@H+](CCO)[C@H](C)C1 ZINC000187689248 407881229 /nfs/dbraw/zinc/88/12/29/407881229.db2.gz OJOBZOQDJNVMET-CYBMUJFWSA-N 1 0 323.393 1.492 20 5 DDBDRO C[NH+](C)C1CN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000272402236 407904537 /nfs/dbraw/zinc/90/45/37/407904537.db2.gz ZFFWUIJURDMXGF-UHFFFAOYSA-N 1 0 315.276 1.582 20 5 DDBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NC1CC[NH2+]CC1 ZINC000262727724 407909346 /nfs/dbraw/zinc/90/93/46/407909346.db2.gz BMFXCVGCKOKFMV-UHFFFAOYSA-N 1 0 319.770 1.279 20 5 DDBDRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000154089205 407968649 /nfs/dbraw/zinc/96/86/49/407968649.db2.gz PMDWWHDUJLPHIJ-HNNXBMFYSA-N 1 0 321.377 1.772 20 5 DDBDRO C[NH+](C)CCNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000272556764 407982072 /nfs/dbraw/zinc/98/20/72/407982072.db2.gz RRBGVUJEHDUNNB-UHFFFAOYSA-N 1 0 314.773 1.652 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)c1 ZINC000153938099 407936830 /nfs/dbraw/zinc/93/68/30/407936830.db2.gz DQMUTQAIIJRNGG-NSHDSACASA-N 1 0 307.350 1.770 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000119705833 408102431 /nfs/dbraw/zinc/10/24/31/408102431.db2.gz GPFDVGZTEISBTE-NSHDSACASA-N 1 0 307.354 1.029 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000119718298 408108442 /nfs/dbraw/zinc/10/84/42/408108442.db2.gz QLQRBTJNFHRUJJ-LBPRGKRZSA-N 1 0 321.381 1.419 20 5 DDBDRO C[NH2+]CCCNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000121231994 408167119 /nfs/dbraw/zinc/16/71/19/408167119.db2.gz SHGVJULIQJHBOG-UHFFFAOYSA-N 1 0 323.396 1.880 20 5 DDBDRO CC(C)[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000155614126 408187079 /nfs/dbraw/zinc/18/70/79/408187079.db2.gz UOWUQDNKHNMXDO-UHFFFAOYSA-N 1 0 307.397 1.275 20 5 DDBDRO CC(C)[C@H]([NH3+])CNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000269261271 408237872 /nfs/dbraw/zinc/23/78/72/408237872.db2.gz JLQBMHLNLFMHNL-GFCCVEGCSA-N 1 0 318.333 1.562 20 5 DDBDRO COC(=O)[C@H](C)C[N@H+](C)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000246306145 408213686 /nfs/dbraw/zinc/21/36/86/408213686.db2.gz FRXWNAIAJNWQQY-GHMZBOCLSA-N 1 0 323.349 1.663 20 5 DDBDRO C[C@@H]1CC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)[C@@H]1CO ZINC000190371927 408232243 /nfs/dbraw/zinc/23/22/43/408232243.db2.gz JUXRGGWZYHVNBA-ZWNOBZJWSA-N 1 0 318.333 1.848 20 5 DDBDRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)c1cccc([N+](=O)[O-])c1 ZINC000269479664 408324568 /nfs/dbraw/zinc/32/45/68/408324568.db2.gz XXHRWAJPQIWJQR-OAHLLOKOSA-N 1 0 321.377 1.562 20 5 DDBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccc2c(c1)OCO2 ZINC000176196527 408305997 /nfs/dbraw/zinc/30/59/97/408305997.db2.gz YPKGCWCSFCYKMG-UHFFFAOYSA-N 1 0 304.306 1.652 20 5 DDBDRO COc1ccc(OCC[N@@H+]2CC[C@@H]([C@H](C)O)C2)c([N+](=O)[O-])c1 ZINC000183197054 408350746 /nfs/dbraw/zinc/35/07/46/408350746.db2.gz MVDYXJUNXOXCFN-NWDGAFQWSA-N 1 0 310.350 1.685 20 5 DDBDRO O=C([C@H]1CCCC[NH2+]1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000169186400 162183535 /nfs/dbraw/zinc/18/35/35/162183535.db2.gz BSVKOPACJLWSRI-WCQYABFASA-N 1 0 319.365 1.145 20 5 DDBDRO CCCc1n[nH]c(C(=O)N2CCC[N@@H+](C3CC3)CC2)c1[N+](=O)[O-] ZINC000171806423 162242666 /nfs/dbraw/zinc/24/26/66/162242666.db2.gz HDJUYRVMSFEWGU-UHFFFAOYSA-N 1 0 321.381 1.581 20 5 DDBDRO CC1(CNC(=O)COc2ccccc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000183379238 408396093 /nfs/dbraw/zinc/39/60/93/408396093.db2.gz TUBTYCFWXKTLLL-UHFFFAOYSA-N 1 0 307.350 1.480 20 5 DDBDRO CCO[C@H]1C[C@@H](O)C12CC[NH+](CCn1cc([N+](=O)[O-])cn1)CC2 ZINC000174873101 162436009 /nfs/dbraw/zinc/43/60/09/162436009.db2.gz MSPHBJAGDIAIIL-KGLIPLIRSA-N 1 0 324.381 1.043 20 5 DDBDRO C[C@H](C[NH3+])NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000274463367 408415183 /nfs/dbraw/zinc/41/51/83/408415183.db2.gz VSFXITOJDRAYFY-MRVPVSSYSA-N 1 0 301.730 1.481 20 5 DDBDRO C[C@H]1C[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C[N@@H+]1C1CC1 ZINC000177081898 408513669 /nfs/dbraw/zinc/51/36/69/408513669.db2.gz XZISOKHRSOTQCL-WPRPVWTQSA-N 1 0 322.340 1.671 20 5 DDBDRO CC[N@H+](CCO)CCNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000183961673 408518199 /nfs/dbraw/zinc/51/81/99/408518199.db2.gz QDIIVWSBWNFPHS-UHFFFAOYSA-N 1 0 315.757 1.292 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1cc(C[NH+](C)C)ccn1 ZINC000176900014 408470092 /nfs/dbraw/zinc/47/00/92/408470092.db2.gz OTLVQOAUPCDWFJ-UHFFFAOYSA-N 1 0 318.337 1.195 20 5 DDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)NCCCC[NH+]1CCOCC1 ZINC000184268908 408581149 /nfs/dbraw/zinc/58/11/49/408581149.db2.gz CXBJLPJEHHUENV-UHFFFAOYSA-N 1 0 322.365 1.019 20 5 DDBDRO O=C(N[C@@H]1CCN(c2ccccn2)C1)c1ccccc1[N+](=O)[O-] ZINC000161324579 408587623 /nfs/dbraw/zinc/58/76/23/408587623.db2.gz SVSHKIUBBOCFSL-GFCCVEGCSA-N 1 0 312.329 1.999 20 5 DDBDRO CC(C)[C@@H](CCO)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000161767527 408636283 /nfs/dbraw/zinc/63/62/83/408636283.db2.gz WFFRXIONMJTJIK-QWHCGFSZSA-N 1 0 312.366 1.331 20 5 DDBDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000177491589 408636336 /nfs/dbraw/zinc/63/63/36/408636336.db2.gz ABDLFMNWNOACRU-GXTWGEPZSA-N 1 0 321.377 1.963 20 5 DDBDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000177486675 408636354 /nfs/dbraw/zinc/63/63/54/408636354.db2.gz YMUFFGNZDSVGBC-QWRGUYRKSA-N 1 0 324.356 1.919 20 5 DDBDRO Cc1c(NC(=O)CC[N@@H+]2CCC[C@H]2CO)cccc1[N+](=O)[O-] ZINC000265465409 408661414 /nfs/dbraw/zinc/66/14/14/408661414.db2.gz HTEGEGKBIVJAOW-LBPRGKRZSA-N 1 0 307.350 1.689 20 5 DDBDRO C[C@H]1CN(CCCOc2ccc([N+](=O)[O-])cc2)C[C@@H](CO)O1 ZINC000248943493 408664148 /nfs/dbraw/zinc/66/41/48/408664148.db2.gz CZQCZPOLZLBHOQ-WFASDCNBSA-N 1 0 310.350 1.445 20 5 DDBDRO CCc1ccc(C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1[N+](=O)[O-] ZINC000184959522 408725446 /nfs/dbraw/zinc/72/54/46/408725446.db2.gz PEJVLHIDVPTZOP-MJBXVCDLSA-N 1 0 303.362 1.967 20 5 DDBDRO C[C@@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@@H]1CCOC1 ZINC000162807142 408735290 /nfs/dbraw/zinc/73/52/90/408735290.db2.gz IQXDGRQOCSKJBO-DGCLKSJQSA-N 1 0 319.361 1.499 20 5 DDBDRO CC[N@H+](CCO)CCNC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000185338475 408797500 /nfs/dbraw/zinc/79/75/00/408797500.db2.gz KKZIFZPUZSYYOF-UHFFFAOYSA-N 1 0 310.354 1.339 20 5 DDBDRO CC[C@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)N1CCOCC1 ZINC000165157235 408808267 /nfs/dbraw/zinc/80/82/67/408808267.db2.gz FNDACBRCNFJHLN-DOMZBBRYSA-N 1 0 321.377 1.883 20 5 DDBDRO Cc1c(NC(=O)CC[N@@H+]2CC[C@@](C)(O)C2)cccc1[N+](=O)[O-] ZINC000177980415 408750135 /nfs/dbraw/zinc/75/01/35/408750135.db2.gz GWYZBSVMSUTXLU-OAHLLOKOSA-N 1 0 307.350 1.689 20 5 DDBDRO Cc1cc(OCC(=O)N(C)[C@H]2CCC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000281799354 408931641 /nfs/dbraw/zinc/93/16/41/408931641.db2.gz VGWZIRIIGSBSIT-ZDUSSCGKSA-N 1 0 321.377 1.835 20 5 DDBDRO CC(C)[C@H](C[NH3+])C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000236650873 163357909 /nfs/dbraw/zinc/35/79/09/163357909.db2.gz AGTBYELBCLQSJQ-HNNXBMFYSA-N 1 0 320.393 1.474 20 5 DDBDRO CC(C)[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000291992231 408957647 /nfs/dbraw/zinc/95/76/47/408957647.db2.gz WXKLQIDYYJDNME-KGLIPLIRSA-N 1 0 324.377 1.834 20 5 DDBDRO C[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCC[C@H]1O ZINC000286338829 408967055 /nfs/dbraw/zinc/96/70/55/408967055.db2.gz FAMUJIGAQJNBMP-YRGRVCCFSA-N 1 0 310.350 1.180 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](C)C[NH+](C)C)cc1C ZINC000286836332 408999653 /nfs/dbraw/zinc/99/96/53/408999653.db2.gz WISLUWVFUWMBNF-NSHDSACASA-N 1 0 315.395 1.440 20 5 DDBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1[C@@H](CO)CC[C@@H]1CO ZINC000287356921 409024632 /nfs/dbraw/zinc/02/46/32/409024632.db2.gz LPQWHCXYRIHHQV-HUUCEWRRSA-N 1 0 324.377 1.700 20 5 DDBDRO COC[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCO1 ZINC000279011174 409131467 /nfs/dbraw/zinc/13/14/67/409131467.db2.gz FKOSCPJOQDOQDD-CABCVRRESA-N 1 0 310.350 1.757 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)CCCCCO ZINC000278956881 409120719 /nfs/dbraw/zinc/12/07/19/409120719.db2.gz WKKJYSYPFFQLAD-UHFFFAOYSA-N 1 0 309.366 1.936 20 5 DDBDRO CC(C)[N@H+](C)CCCNC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000283448848 409159295 /nfs/dbraw/zinc/15/92/95/409159295.db2.gz KOVZDQBVXCYFSA-UHFFFAOYSA-N 1 0 312.345 1.776 20 5 DDBDRO C[NH2+][C@H]1CCCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000261675978 163683256 /nfs/dbraw/zinc/68/32/56/163683256.db2.gz COPNQTUAKUTSLC-NSHDSACASA-N 1 0 322.365 1.226 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCC[C@@H]1CCO ZINC000279281367 409183689 /nfs/dbraw/zinc/18/36/89/409183689.db2.gz OKBUTHFRCGWCCY-MGPQQGTHSA-N 1 0 324.377 1.475 20 5 DDBDRO C[N@H+](CCNC(=O)c1cc([N+](=O)[O-])c(F)cc1N)C1CCCC1 ZINC000279501110 409226137 /nfs/dbraw/zinc/22/61/37/409226137.db2.gz SOSHWONXVLVJTD-UHFFFAOYSA-N 1 0 324.356 1.920 20 5 DDBDRO Cc1cccc(C(=O)NCCCN2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000294312440 409275927 /nfs/dbraw/zinc/27/59/27/409275927.db2.gz XUGXDKMRDNWTGM-UHFFFAOYSA-N 1 0 320.393 1.271 20 5 DDBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H](CC(N)=O)c1ccccc1 ZINC000280291605 409286721 /nfs/dbraw/zinc/28/67/21/409286721.db2.gz FFEQEONMFCTILK-AWEZNQCLSA-N 1 0 317.349 1.340 20 5 DDBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2CCCS(=O)(=O)C2)cs1 ZINC000290190885 409316873 /nfs/dbraw/zinc/31/68/73/409316873.db2.gz SXEAIEYCMYKGMJ-VIFPVBQESA-N 1 0 304.393 1.571 20 5 DDBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CC(C)(C)CO ZINC000295189550 409364842 /nfs/dbraw/zinc/36/48/42/409364842.db2.gz JHQJMVCEXRGKPQ-UHFFFAOYSA-N 1 0 309.366 1.874 20 5 DDBDRO Cc1c[nH]nc1CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000290403030 409388704 /nfs/dbraw/zinc/38/87/04/409388704.db2.gz KPKJZCBHBNBUFR-UHFFFAOYSA-N 1 0 301.350 1.949 20 5 DDBDRO COc1ccc(NC(=O)C[NH2+][C@@H]2CCOC2(C)C)c([N+](=O)[O-])c1 ZINC000295244173 409394563 /nfs/dbraw/zinc/39/45/63/409394563.db2.gz PRXZRWGYBQXPAV-CYBMUJFWSA-N 1 0 323.349 1.699 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCO[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000285326944 409408723 /nfs/dbraw/zinc/40/87/23/409408723.db2.gz RWOZACUMANJVNN-GJZGRUSLSA-N 1 0 319.361 1.448 20 5 DDBDRO CCOC1CC(O)(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000285374825 409418401 /nfs/dbraw/zinc/41/84/01/409418401.db2.gz WDPLCGHZLTUKQC-VLRKGOCCSA-N 1 0 309.366 1.758 20 5 DDBDRO C[NH+](C)[C@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)c1ccsc1 ZINC000285388121 409422913 /nfs/dbraw/zinc/42/29/13/409422913.db2.gz JGHCSVIVOZDKKN-SNVBAGLBSA-N 1 0 309.351 1.412 20 5 DDBDRO CCC[NH+]1CCC(N(C)c2nccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000290609288 409460977 /nfs/dbraw/zinc/46/09/77/409460977.db2.gz KAYFSFKGZJLKDM-UHFFFAOYSA-N 1 0 321.381 1.399 20 5 DDBDRO COc1ccc(CN2CCO[C@]3(CCCOC3)C2)cc1[N+](=O)[O-] ZINC000285464553 409453731 /nfs/dbraw/zinc/45/37/31/409453731.db2.gz ZQUYAFOBSJLPDD-MRXNPFEDSA-N 1 0 322.361 1.985 20 5 DDBDRO CCC[N@@H+]1CC[C@H](CNc2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000290624888 409466713 /nfs/dbraw/zinc/46/67/13/409466713.db2.gz LVNWSEMRXUOHKJ-SNVBAGLBSA-N 1 0 307.354 1.233 20 5 DDBDRO CNc1c(C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000317286341 164027236 /nfs/dbraw/zinc/02/72/36/164027236.db2.gz KMXJZRUAOOBCEG-MNOVXSKESA-N 1 0 306.366 1.849 20 5 DDBDRO Cc1nc(NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000296253427 409479099 /nfs/dbraw/zinc/47/90/99/409479099.db2.gz FVBQVIYBIXTDTR-PHIMTYICSA-N 1 0 309.370 1.604 20 5 DDBDRO Cc1n[nH]c(C(=O)N2CCC3(CCC[N@H+]3C)CC2)c1[N+](=O)[O-] ZINC000408134003 164238030 /nfs/dbraw/zinc/23/80/30/164238030.db2.gz QLMRGRZZNWPFAP-UHFFFAOYSA-N 1 0 307.354 1.327 20 5 DDBDRO C[C@H](CCNC(=O)c1cc([N+](=O)[O-])nn1C)[NH+]1CCCCC1 ZINC000356741010 409565700 /nfs/dbraw/zinc/56/57/00/409565700.db2.gz IFYNQUWCLWAEHT-LLVKDONJSA-N 1 0 309.370 1.323 20 5 DDBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000296475512 409578236 /nfs/dbraw/zinc/57/82/36/409578236.db2.gz WIFXFQSFDKCCOG-CYBMUJFWSA-N 1 0 322.365 1.563 20 5 DDBDRO C[C@H]([NH2+]CCCOC(=O)NC(N)=O)c1ccc([N+](=O)[O-])cc1 ZINC000296832075 409654631 /nfs/dbraw/zinc/65/46/31/409654631.db2.gz WPXPRWFRPOYGDJ-VIFPVBQESA-N 1 0 310.310 1.440 20 5 DDBDRO CO[C@]1(C)CCC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000331596393 409674367 /nfs/dbraw/zinc/67/43/67/409674367.db2.gz UCNSFDSJZCGBFG-UONOGXRCSA-N 1 0 312.370 1.043 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@@H]([NH3+])C1 ZINC000346066240 409753908 /nfs/dbraw/zinc/75/39/08/409753908.db2.gz LFFYBQHXJXNXHQ-GFCCVEGCSA-N 1 0 306.366 1.655 20 5 DDBDRO C[NH+](C)Cc1ccc(CNC(=O)c2cc([N+](=O)[O-])n[nH]2)cc1F ZINC000354396829 409824887 /nfs/dbraw/zinc/82/48/87/409824887.db2.gz VOOJYGSQSXIOTE-UHFFFAOYSA-N 1 0 321.312 1.449 20 5 DDBDRO C[C@@H]([NH3+])C[C@H](C)NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000320717985 409907583 /nfs/dbraw/zinc/90/75/83/409907583.db2.gz VIUGNXFYXFWDCM-SFYZADRCSA-N 1 0 321.786 1.652 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000357090374 409863403 /nfs/dbraw/zinc/86/34/03/409863403.db2.gz VHEBBANZHWWBSY-QWHCGFSZSA-N 1 0 318.377 1.383 20 5 DDBDRO C[N@H+](CCNc1ccc2ncc([N+](=O)[O-])n2n1)C1CCCCC1 ZINC000357180643 409924404 /nfs/dbraw/zinc/92/44/04/409924404.db2.gz GSVLGISCUAHOJO-UHFFFAOYSA-N 1 0 318.381 2.314 20 5 DDBDRO CC(C)[NH+]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000332283308 410038886 /nfs/dbraw/zinc/03/88/86/410038886.db2.gz YNACQVLHPOXFND-UHFFFAOYSA-N 1 0 303.366 1.997 20 5 DDBDRO C[C@H]1CN(c2ncnc3sc([N+](=O)[O-])cc32)CC[N@@H+]1CCO ZINC000343024202 410081768 /nfs/dbraw/zinc/08/17/68/410081768.db2.gz DDGHKDFASFCQEC-VIFPVBQESA-N 1 0 323.378 1.102 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@H](C)C[NH+](C)C ZINC000357598059 410123920 /nfs/dbraw/zinc/12/39/20/410123920.db2.gz RWCMCBJDUIKQJL-SNVBAGLBSA-N 1 0 322.365 1.216 20 5 DDBDRO COC(=O)c1cnc(N[C@@H]2CC[N@H+](C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000357701773 410196596 /nfs/dbraw/zinc/19/65/96/410196596.db2.gz XSIILHYNWIWGGS-GXSJLCMTSA-N 1 0 308.338 1.671 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000339620086 410334987 /nfs/dbraw/zinc/33/49/87/410334987.db2.gz TZQQXFLKQKIVPJ-BETUJISGSA-N 1 0 320.393 1.866 20 5 DDBDRO COc1ccc(NC(=O)CN2CC[C@@H]([C@H](C)[NH3+])C2)c([N+](=O)[O-])c1 ZINC000351857654 410293483 /nfs/dbraw/zinc/29/34/83/410293483.db2.gz YBZKNPDZOGMOPK-WDEREUQCSA-N 1 0 322.365 1.211 20 5 DDBDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000351963927 410375611 /nfs/dbraw/zinc/37/56/11/410375611.db2.gz IIOHUWIVMVKKQP-NSHDSACASA-N 1 0 309.370 1.702 20 5 DDBDRO COc1ccc(C(=O)N[C@@H]2CCC[N@H+](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000343525036 410508329 /nfs/dbraw/zinc/50/83/29/410508329.db2.gz LSZZEVSEIMJNMJ-ZYHUDNBSSA-N 1 0 307.350 1.816 20 5 DDBDRO C[NH+](C)CC[C@](C)(O)CNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000352118217 410492070 /nfs/dbraw/zinc/49/20/70/410492070.db2.gz AHDBUIFTUNPKDO-INIZCTEOSA-N 1 0 323.393 1.346 20 5 DDBDRO CCC[N@@H+]1CCC[C@@H]1CNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000343612963 410571941 /nfs/dbraw/zinc/57/19/41/410571941.db2.gz QCVLGYBJAQXARA-CQSZACIVSA-N 1 0 321.377 1.964 20 5 DDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N(C)CC1CC[NH+](C)CC1 ZINC000301203510 410675995 /nfs/dbraw/zinc/67/59/95/410675995.db2.gz QKJDHOHRLMRJEF-UHFFFAOYSA-N 1 0 320.393 1.732 20 5 DDBDRO C[NH+](C)C[C@](C)(O)CNc1nc2ccccc2cc1[N+](=O)[O-] ZINC000352361062 410646863 /nfs/dbraw/zinc/64/68/63/410646863.db2.gz PWRNSPCEXGQOKK-OAHLLOKOSA-N 1 0 304.350 1.868 20 5 DDBDRO C[C@@H]1C[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cn3)CC2)CCO1 ZINC000301095792 410656018 /nfs/dbraw/zinc/65/60/18/410656018.db2.gz NKNCEVFAGDVEPZ-GFCCVEGCSA-N 1 0 306.366 1.679 20 5 DDBDRO C[C@H](C[NH+](C)C)Nc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000343792081 410702856 /nfs/dbraw/zinc/70/28/56/410702856.db2.gz MXVIGPLTOPKJGL-SNVBAGLBSA-N 1 0 306.366 1.849 20 5 DDBDRO CCOC(=O)CN1CCCN(c2ccncc2[N+](=O)[O-])CC1 ZINC000340156615 410712995 /nfs/dbraw/zinc/71/29/95/410712995.db2.gz LATSTNYTMWSNAU-UHFFFAOYSA-N 1 0 308.338 1.065 20 5 DDBDRO CCC[NH+]1CCC(N(C)C(=O)c2c([N+](=O)[O-])cnn2C)CC1 ZINC000330577077 410791206 /nfs/dbraw/zinc/79/12/06/410791206.db2.gz RCFXCTHXGZKKTO-UHFFFAOYSA-N 1 0 309.370 1.275 20 5 DDBDRO CO[C@H](C)C[N@H+](C)CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000353205190 410851107 /nfs/dbraw/zinc/85/11/07/410851107.db2.gz OVFIVLSTNXZBLK-LLVKDONJSA-N 1 0 323.349 1.860 20 5 DDBDRO CC[NH+](CC)C[C@@H](C)NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000360022755 411007783 /nfs/dbraw/zinc/00/77/83/411007783.db2.gz INVVPSCQAHYASD-LLVKDONJSA-N 1 0 315.395 1.603 20 5 DDBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H](CO)C1CC1 ZINC000353486756 411023361 /nfs/dbraw/zinc/02/33/61/411023361.db2.gz YUXIRQTWEHESFD-AAEUAGOBSA-N 1 0 321.377 1.920 20 5 DDBDRO C[NH+](C)C[C@](C)(O)CNc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000132974035 196301164 /nfs/dbraw/zinc/30/11/64/196301164.db2.gz JERQMTMKCBHJNN-OAHLLOKOSA-N 1 0 304.350 1.868 20 5 DDBDRO C[C@H](CNC(=O)c1ccc(F)cc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000134243101 196373568 /nfs/dbraw/zinc/37/35/68/196373568.db2.gz NNSLVUZJADRVTR-LLVKDONJSA-N 1 0 324.356 1.100 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000417185509 225237215 /nfs/dbraw/zinc/23/72/15/225237215.db2.gz SARAKGYTWKEJBZ-MFKMUULPSA-N 1 0 322.365 1.482 20 5 DDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])NCC1=CC[NH2+]CC1 ZINC000417774256 225436116 /nfs/dbraw/zinc/43/61/16/225436116.db2.gz YWGROJXREDBNHK-UHFFFAOYSA-N 1 0 304.350 1.356 20 5 DDBDRO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000417931717 225508846 /nfs/dbraw/zinc/50/88/46/225508846.db2.gz CERXWWVYFLVHCQ-NWDGAFQWSA-N 1 0 306.366 1.529 20 5 DDBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000366126626 418430684 /nfs/dbraw/zinc/43/06/84/418430684.db2.gz NURIXZWEIIGTIJ-YPMHNXCESA-N 1 0 304.350 1.689 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[C@@H]2C[NH2+]CCC[C@@H]21 ZINC000366840158 418524769 /nfs/dbraw/zinc/52/47/69/418524769.db2.gz IVWWRKPXVZYYAL-OLZOCXBDSA-N 1 0 321.381 1.090 20 5 DDBDRO Nc1ccc([N+](=O)[O-])c(N2CC[NH+]([C@@H]3CCSC3)CC2)c1 ZINC000367169029 418567133 /nfs/dbraw/zinc/56/71/33/418567133.db2.gz AFRSMMHXMWFUIV-GFCCVEGCSA-N 1 0 308.407 1.805 20 5 DDBDRO C[N@@H+]1CC[C@H]2CCN(Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C[C@@H]21 ZINC000375015955 418589489 /nfs/dbraw/zinc/58/94/89/418589489.db2.gz DHABDNAWXQEBJG-NHYWBVRUSA-N 1 0 318.377 1.220 20 5 DDBDRO CC1(NC(=O)CSc2ccc([N+](=O)[O-])cc2)CC[NH2+]CC1 ZINC000193381734 222152378 /nfs/dbraw/zinc/15/23/78/222152378.db2.gz KUYBGSNDCPINRW-UHFFFAOYSA-N 1 0 309.391 1.945 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CCN(c3ccc(C(N)=O)cc3[N+](=O)[O-])C[C@@H]21 ZINC000375052763 418596339 /nfs/dbraw/zinc/59/63/39/418596339.db2.gz ZLZVUUFUZYGOEC-YGRLFVJLSA-N 1 0 304.350 1.224 20 5 DDBDRO C[C@H]1COCCN1CC[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375610813 418661629 /nfs/dbraw/zinc/66/16/29/418661629.db2.gz HDTQXXZUGZGHKB-UONOGXRCSA-N 1 0 323.397 1.149 20 5 DDBDRO CC[C@H]1[C@@H](CO)CC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000385849878 418737974 /nfs/dbraw/zinc/73/79/74/418737974.db2.gz XKTKIJCYDLWFLX-OLZOCXBDSA-N 1 0 307.350 1.287 20 5 DDBDRO C[C@@H](C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000388800471 418748117 /nfs/dbraw/zinc/74/81/17/418748117.db2.gz JKLSETSGSSJIDI-SWLSCSKDSA-N 1 0 304.350 1.546 20 5 DDBDRO COC[C@@]1(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CC[NH2+]C1 ZINC000423188719 227392148 /nfs/dbraw/zinc/39/21/48/227392148.db2.gz QDWNMYKBBJSDNN-MRXNPFEDSA-N 1 0 319.361 1.106 20 5 DDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N(C1CC1)C1CC[NH2+]CC1 ZINC000372025147 418831960 /nfs/dbraw/zinc/83/19/60/418831960.db2.gz GKQRTOFOJATOLP-UHFFFAOYSA-N 1 0 303.362 1.880 20 5 DDBDRO Nc1ccc(C(=O)N(C2CC2)C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000372025867 418832310 /nfs/dbraw/zinc/83/23/10/418832310.db2.gz MNEABXQTUAKQPI-UHFFFAOYSA-N 1 0 304.350 1.534 20 5 DDBDRO Cn1ccnc1[C@@H](NCC(C)(C)[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000423287205 227426053 /nfs/dbraw/zinc/42/60/53/227426053.db2.gz KWBIDDHCBZEDDS-ZDUSSCGKSA-N 1 0 303.366 1.745 20 5 DDBDRO C[C@H]1CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000424014815 227860237 /nfs/dbraw/zinc/86/02/37/227860237.db2.gz LZJDKKAOCAJHLQ-QWHCGFSZSA-N 1 0 321.377 1.807 20 5 DDBDRO COc1c(C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)cccc1[N+](=O)[O-] ZINC000425057728 228357197 /nfs/dbraw/zinc/35/71/97/228357197.db2.gz BLXZZEPFJKCQNB-SMDDNHRTSA-N 1 0 319.361 1.770 20 5 DDBDRO C[C@@H]1CN(C(=O)NCCc2cccc([N+](=O)[O-])c2)[C@@H](C)C[NH2+]1 ZINC000417937368 419400012 /nfs/dbraw/zinc/40/00/12/419400012.db2.gz IMAAQKVEFFHHDT-NEPJUHHUSA-N 1 0 306.366 1.529 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCC[C@@H]2CCO)c1 ZINC000426254577 419420287 /nfs/dbraw/zinc/42/02/87/419420287.db2.gz DZLRASKILOYYJZ-OCCSQVGLSA-N 1 0 310.350 1.181 20 5 DDBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)C[C@H]1CCC[N@@H+]1C ZINC000421009412 419446903 /nfs/dbraw/zinc/44/69/03/419446903.db2.gz QAXQJPDJGVWYRK-SWLSCSKDSA-N 1 0 320.393 1.948 20 5 DDBDRO CC(C)([NH3+])CNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000417998390 419461295 /nfs/dbraw/zinc/46/12/95/419461295.db2.gz VAQCXWZVSFKCBT-UHFFFAOYSA-N 1 0 314.773 1.827 20 5 DDBDRO [NH3+][C@@H]1CCN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000418002629 419464823 /nfs/dbraw/zinc/46/48/23/419464823.db2.gz YZJXUNVUEUQGNT-LLVKDONJSA-N 1 0 312.757 1.533 20 5 DDBDRO C[NH2+]C[C@@H]1CCCN1C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000418077501 419512966 /nfs/dbraw/zinc/51/29/66/419512966.db2.gz HXCQDXUSWHWOMM-ZDUSSCGKSA-N 1 0 306.366 1.797 20 5 DDBDRO C[NH2+]CCNC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000418316545 419702314 /nfs/dbraw/zinc/70/23/14/419702314.db2.gz KLTJZKJMJDOPNN-UHFFFAOYSA-N 1 0 322.365 1.367 20 5 DDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000428037161 419796925 /nfs/dbraw/zinc/79/69/25/419796925.db2.gz YJHAMCITFGMLPF-JMSVASOKSA-N 1 0 318.377 1.606 20 5 DDBDRO C[C@@H]1C[C@@H](NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CC[NH2+]1 ZINC000418609013 419900380 /nfs/dbraw/zinc/90/03/80/419900380.db2.gz SEHJCSAIBOQTEW-RISCZKNCSA-N 1 0 318.377 1.803 20 5 DDBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000435245545 229367510 /nfs/dbraw/zinc/36/75/10/229367510.db2.gz CGTGXJPJJJYXQV-CYBMUJFWSA-N 1 0 318.377 1.750 20 5 DDBDRO Cn1ccnc1[C@H](NCC(C)(C)[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000423287204 420003444 /nfs/dbraw/zinc/00/34/44/420003444.db2.gz KWBIDDHCBZEDDS-CYBMUJFWSA-N 1 0 303.366 1.745 20 5 DDBDRO COc1ccc(NC(=O)N[C@H](CC[NH3+])C(F)F)cc1[N+](=O)[O-] ZINC000415432124 420063332 /nfs/dbraw/zinc/06/33/32/420063332.db2.gz FNJZCLHPYZPGNA-MRVPVSSYSA-N 1 0 318.280 1.707 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000415661297 420139677 /nfs/dbraw/zinc/13/96/77/420139677.db2.gz QCSUEDFPVQUMGJ-SNVBAGLBSA-N 1 0 308.338 1.867 20 5 DDBDRO CCOC(=O)c1cc(C(=O)N[C@@H](C)CC[NH3+])cc([N+](=O)[O-])c1 ZINC000423520945 420071336 /nfs/dbraw/zinc/07/13/36/420071336.db2.gz WRUPBTOXRGMJSX-VIFPVBQESA-N 1 0 309.322 1.239 20 5 DDBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@H]1C[NH2+]CCC1(F)F ZINC000415491580 420089152 /nfs/dbraw/zinc/08/91/52/420089152.db2.gz BAFHFUAGBZFHEC-JTQLQIEISA-N 1 0 300.265 1.714 20 5 DDBDRO COc1cccc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c1[N+](=O)[O-] ZINC000423583602 420089468 /nfs/dbraw/zinc/08/94/68/420089468.db2.gz CDKATHJPFKPUQR-PHIMTYICSA-N 1 0 305.334 1.570 20 5 DDBDRO C[C@@H]1CC[NH2+][C@H](C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1 ZINC000423830170 420214849 /nfs/dbraw/zinc/21/48/49/420214849.db2.gz TWKWKVXVBANWRW-YPMHNXCESA-N 1 0 321.381 1.343 20 5 DDBDRO [NH3+]C[C@@H]1CCC[C@H]1Nc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000420209125 420151001 /nfs/dbraw/zinc/15/10/01/420151001.db2.gz VIJNXCJPARQVLT-CMPLNLGQSA-N 1 0 303.322 2.184 20 5 DDBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430939901 420216001 /nfs/dbraw/zinc/21/60/01/420216001.db2.gz MUPRRTFZPZERRG-UHIISALHSA-N 1 0 306.366 1.591 20 5 DDBDRO CCOc1ccc(NC(=O)CN2CC[NH2+][C@H](C)C2)c([N+](=O)[O-])c1 ZINC000420332145 420216084 /nfs/dbraw/zinc/21/60/84/420216084.db2.gz GEDFZGSBZMBEAO-LLVKDONJSA-N 1 0 322.365 1.226 20 5 DDBDRO C[C@@H]1CN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC[C@@H]1[NH3+] ZINC000430960910 420224138 /nfs/dbraw/zinc/22/41/38/420224138.db2.gz AMWQVFKBKOPXOY-MFKMUULPSA-N 1 0 317.349 1.814 20 5 DDBDRO COc1ccc(NC(=O)CN2C[C@H](C)[NH2+][C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000430966082 420226703 /nfs/dbraw/zinc/22/67/03/420226703.db2.gz MGEOMDDKLSGFPX-QWRGUYRKSA-N 1 0 322.365 1.224 20 5 DDBDRO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NCCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000420381744 420251008 /nfs/dbraw/zinc/25/10/08/420251008.db2.gz ZJHWHSGTCDHDCS-HSMVNMDESA-N 1 0 320.393 1.900 20 5 DDBDRO COc1ccc(NC(=O)CN2C[C@@H](C)[NH2+]C[C@H]2C)c([N+](=O)[O-])c1 ZINC000420402461 420264725 /nfs/dbraw/zinc/26/47/25/420264725.db2.gz QKNVOXGGZFCPMM-GHMZBOCLSA-N 1 0 322.365 1.224 20 5 DDBDRO CCc1ccccc1[C@@H]([NH3+])CNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000423979047 420290249 /nfs/dbraw/zinc/29/02/49/420290249.db2.gz OYDMHLSGMVTLOE-ZDUSSCGKSA-N 1 0 302.334 1.915 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000423935795 420275440 /nfs/dbraw/zinc/27/54/40/420275440.db2.gz BJJAFSOSCGPQAT-CYBMUJFWSA-N 1 0 307.350 1.851 20 5 DDBDRO Cc1ccc(S(=O)(=O)N[C@H](C[NH3+])C(C)(C)C)c([N+](=O)[O-])c1 ZINC000420469944 420305655 /nfs/dbraw/zinc/30/56/55/420305655.db2.gz WHHASRKAJPJZNT-GFCCVEGCSA-N 1 0 315.395 1.555 20 5 DDBDRO NC(=O)c1cccc([N+](=O)[O-])c1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000420606609 420328985 /nfs/dbraw/zinc/32/89/85/420328985.db2.gz XRUSEPAUIOJOGJ-LBPRGKRZSA-N 1 0 318.377 1.758 20 5 DDBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000420802937 420396304 /nfs/dbraw/zinc/39/63/04/420396304.db2.gz SMTSJETYNHFPAC-CQSZACIVSA-N 1 0 320.393 1.873 20 5 DDBDRO COCC[N@H+](C)CCCNc1ccc([N+](=O)[O-])c(N)c1F ZINC000443415748 230009428 /nfs/dbraw/zinc/00/94/28/230009428.db2.gz GQWBXBYQPLANDO-UHFFFAOYSA-N 1 0 300.334 1.696 20 5 DDBDRO C[C@@H]1COCCN1CCNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000446186913 230237929 /nfs/dbraw/zinc/23/79/29/230237929.db2.gz BEBQSIMRTSIRCU-CYBMUJFWSA-N 1 0 321.377 1.364 20 5 DDBDRO CNc1c(C(=O)NCCNc2cc[nH+]cc2)cccc1[N+](=O)[O-] ZINC000361375958 299856237 /nfs/dbraw/zinc/85/62/37/299856237.db2.gz KZMCLWIZLCJAEB-UHFFFAOYSA-N 1 0 315.333 1.295 20 5 DDBDRO C[C@H]1C[C@H](NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000447250485 230349529 /nfs/dbraw/zinc/34/95/29/230349529.db2.gz WJBIGQDMGXKJJW-CMPLNLGQSA-N 1 0 313.379 1.155 20 5 DDBDRO CC[N@H+](C)C[C@H]1CCN(c2cccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000439174040 420499729 /nfs/dbraw/zinc/49/97/29/420499729.db2.gz YEJPJNVEZHADIP-LLVKDONJSA-N 1 0 306.366 1.472 20 5 DDBDRO Cc1cc(C)c(S(=O)(=O)NCC2([NH3+])CCC2)cc1[N+](=O)[O-] ZINC000440740122 420602200 /nfs/dbraw/zinc/60/22/00/420602200.db2.gz DAXRYZYZFZSYMC-UHFFFAOYSA-N 1 0 313.379 1.371 20 5 DDBDRO CC(C)(C(=O)NCC[N@@H+]1CCCC1(C)C)n1cc([N+](=O)[O-])cn1 ZINC000457071755 420602884 /nfs/dbraw/zinc/60/28/84/420602884.db2.gz IHDMBFBQZURILT-UHFFFAOYSA-N 1 0 323.397 1.517 20 5 DDBDRO CCn1nc(C)c([N+](=O)[O-])c1NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000440652386 420593834 /nfs/dbraw/zinc/59/38/34/420593834.db2.gz MSSGTUOTSRAESZ-UHFFFAOYSA-N 1 0 324.429 1.558 20 5 DDBDRO C[C@H]1C[C@@H](O)C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000452068431 420620361 /nfs/dbraw/zinc/62/03/61/420620361.db2.gz NYJKOKVLTPWQKH-NWDGAFQWSA-N 1 0 307.350 1.626 20 5 DDBDRO COc1ccc(C[NH2+][C@H]2C[C@@H]3CCCCN3C2=O)cc1[N+](=O)[O-] ZINC000453624862 420738335 /nfs/dbraw/zinc/73/83/35/420738335.db2.gz KDGGZFJUMDTAOO-STQMWFEESA-N 1 0 319.361 1.846 20 5 DDBDRO CO[C@]1(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CCOC1 ZINC000447591761 420784507 /nfs/dbraw/zinc/78/45/07/420784507.db2.gz FIKPYVQXHQJZFV-YDHLFZDLSA-N 1 0 324.381 1.670 20 5 DDBDRO [NH3+]CC[C@H](NC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-])C(F)F ZINC000493275168 420806682 /nfs/dbraw/zinc/80/66/82/420806682.db2.gz XUOUJTWHNHVGGA-YWNRKNDBSA-N 1 0 317.267 1.846 20 5 DDBDRO O=C(/C=C\c1ccccc1[N+](=O)[O-])N[C@@H]1C[NH2+]CCC1(F)F ZINC000493447394 420852402 /nfs/dbraw/zinc/85/24/02/420852402.db2.gz GJUJRMDRXBGXKC-FOQNGQEVSA-N 1 0 311.288 1.721 20 5 DDBDRO CNc1nc(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000455013090 420957747 /nfs/dbraw/zinc/95/77/47/420957747.db2.gz FXTAVHDMQNSYST-NSHDSACASA-N 1 0 323.397 1.738 20 5 DDBDRO Cc1c(CNC(=O)N2C[C@H]3CC[N@@H+](C)[C@H]3C2)cccc1[N+](=O)[O-] ZINC000454849591 420933211 /nfs/dbraw/zinc/93/32/11/420933211.db2.gz FPHZWXRTWUEYDD-HIFRSBDPSA-N 1 0 318.377 1.749 20 5 DDBDRO C[C@@H]([NH3+])[C@H](C)NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000449589616 421033856 /nfs/dbraw/zinc/03/38/56/421033856.db2.gz KDBVSNHXIIDXCU-ZJUUUORDSA-N 1 0 303.322 1.246 20 5 DDBDRO CNc1nc(C(=O)N(C)CC[N@H+](C)C2CC2)ccc1[N+](=O)[O-] ZINC000456071494 421095883 /nfs/dbraw/zinc/09/58/83/421095883.db2.gz RZYVEFVZDJANDL-UHFFFAOYSA-N 1 0 307.354 1.198 20 5 DDBDRO CNc1nc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1[N+](=O)[O-] ZINC000455810273 421065003 /nfs/dbraw/zinc/06/50/03/421065003.db2.gz KREITOCPLSASEX-MNOVXSKESA-N 1 0 319.365 1.340 20 5 DDBDRO CNc1nc(C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000455838563 421068872 /nfs/dbraw/zinc/06/88/72/421068872.db2.gz BNYBCQZIDVJHEY-MNOVXSKESA-N 1 0 321.381 1.634 20 5 DDBDRO COc1cc(C[NH2+]C[C@@H](O)C2CCC2)c([N+](=O)[O-])cc1OC ZINC000449741905 421070918 /nfs/dbraw/zinc/07/09/18/421070918.db2.gz XBJHTUJOCKAYMF-CYBMUJFWSA-N 1 0 310.350 1.863 20 5 DDBDRO CNc1nc(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000455906631 421075403 /nfs/dbraw/zinc/07/54/03/421075403.db2.gz GLAYHKVWDQNKHC-PWSUYJOCSA-N 1 0 321.381 1.490 20 5 DDBDRO C[NH+](C)CCOc1cnccc1CNc1ccc([N+](=O)[O-])nc1 ZINC000450529104 421206735 /nfs/dbraw/zinc/20/67/35/421206735.db2.gz SPMLGQADCKRMBT-UHFFFAOYSA-N 1 0 317.349 1.937 20 5 DDBDRO Cc1n[nH]c(C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000523685365 421246340 /nfs/dbraw/zinc/24/63/40/421246340.db2.gz UGSGVNSUUSFOLY-UHFFFAOYSA-N 1 0 309.370 1.573 20 5 DDBDRO COC[C@@H](C)C[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000560621989 421285126 /nfs/dbraw/zinc/28/51/26/421285126.db2.gz JMPDOTKBTINROI-ZDUSSCGKSA-N 1 0 321.377 1.635 20 5 DDBDRO COc1ccc(CC(=O)N2CCC(C[NH3+])CC2)cc1[N+](=O)[O-] ZINC000562646284 421391643 /nfs/dbraw/zinc/39/16/43/421391643.db2.gz IDLMWIWVLQGYBR-UHFFFAOYSA-N 1 0 307.350 1.343 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000563170475 421467361 /nfs/dbraw/zinc/46/73/61/421467361.db2.gz SBTFETPCRYHVHE-OAHLLOKOSA-N 1 0 314.345 1.632 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@H]([NH3+])C[C@@H]1C ZINC000563349102 421488328 /nfs/dbraw/zinc/48/83/28/421488328.db2.gz PKCZHGFBLSYCGM-RYUDHWBXSA-N 1 0 306.366 1.653 20 5 DDBDRO COC[C@](C)(O)C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000517070395 421593577 /nfs/dbraw/zinc/59/35/77/421593577.db2.gz BTWGAJNYFAOPCH-MBNYWOFBSA-N 1 0 312.370 1.262 20 5 DDBDRO Cc1ccc2c(c1)CC[C@H]2[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000516141674 421530093 /nfs/dbraw/zinc/53/00/93/421530093.db2.gz GZUNPSDLAMURNI-GDBMZVCRSA-N 1 0 316.361 1.738 20 5 DDBDRO CC[C@H](C)[C@H]([NH3+])C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000518188551 421642972 /nfs/dbraw/zinc/64/29/72/421642972.db2.gz WYRKRYHMQOOBTR-GWCFXTLKSA-N 1 0 309.370 1.328 20 5 DDBDRO CCCC[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000532392747 421658415 /nfs/dbraw/zinc/65/84/15/421658415.db2.gz LKPUJWSQWOLHQC-UHFFFAOYSA-N 1 0 306.366 1.984 20 5 DDBDRO CO[C@]1(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CCOC1 ZINC000518760066 421665248 /nfs/dbraw/zinc/66/52/48/421665248.db2.gz IFSFDUWBOJKAAZ-HNNXBMFYSA-N 1 0 323.349 1.319 20 5 DDBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000539792261 421752523 /nfs/dbraw/zinc/75/25/23/421752523.db2.gz CXGLFJCTHOCHLH-LLVKDONJSA-N 1 0 306.366 1.792 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000522059811 421813704 /nfs/dbraw/zinc/81/37/04/421813704.db2.gz BSPXMYOBYMILCC-UHFFFAOYSA-N 1 0 319.296 1.365 20 5 DDBDRO CC(C)([NH3+])c1noc(Cn2cc(Cl)cc([N+](=O)[O-])c2=O)n1 ZINC000573560930 421979225 /nfs/dbraw/zinc/97/92/25/421979225.db2.gz GOKOMXKAWKJXQL-UHFFFAOYSA-N 1 0 313.701 1.035 20 5 DDBDRO C[C@@H]1CN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C[C@@]1(C)C[NH3+] ZINC000574802679 422183520 /nfs/dbraw/zinc/18/35/20/422183520.db2.gz HXAUZTYIACORON-RFAUZJTJSA-N 1 0 321.333 1.380 20 5 DDBDRO CC(C)c1ccc(C(=O)N2CCN(C)C[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000583563633 422184393 /nfs/dbraw/zinc/18/43/93/422184393.db2.gz MVNVORXABBEIDM-CYBMUJFWSA-N 1 0 320.393 1.433 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C[C@@H]1CCSC1 ZINC000583560500 422186049 /nfs/dbraw/zinc/18/60/49/422186049.db2.gz OWDFBPRAHNUBFE-RYUDHWBXSA-N 1 0 312.391 1.677 20 5 DDBDRO O=C(NCCNc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCCC[NH2+]1 ZINC000584232779 422290419 /nfs/dbraw/zinc/29/04/19/422290419.db2.gz WXKOAMDGIOKMPE-AWEZNQCLSA-N 1 0 306.366 1.655 20 5 DDBDRO CC(C)C[C@@H](CNC(=O)c1ccnc(N)c1[N+](=O)[O-])[NH+](C)C ZINC000594295005 422343803 /nfs/dbraw/zinc/34/38/03/422343803.db2.gz ITBXASOCNWFDAS-JTQLQIEISA-N 1 0 309.370 1.278 20 5 DDBDRO CC(C)Oc1nc(N[C@H](C)[C@H]2CN(C)CCO2)ccc1[N+](=O)[O-] ZINC000594565850 422350738 /nfs/dbraw/zinc/35/07/38/422350738.db2.gz ISIVTQRRTQGGBC-DGCLKSJQSA-N 1 0 324.381 1.908 20 5 DDBDRO CCC[N@H+](C)CC(C)(C)NC(=O)c1ccnc(NC)c1[N+](=O)[O-] ZINC000598465465 422395870 /nfs/dbraw/zinc/39/58/70/422395870.db2.gz NNMGZXBCBSZONS-UHFFFAOYSA-N 1 0 323.397 1.882 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@H](O)[C@@H]1CCOC1)CCC2 ZINC000578721515 422629012 /nfs/dbraw/zinc/62/90/12/422629012.db2.gz QQRDIMCGUFJWGS-DAXOMENPSA-N 1 0 306.362 1.959 20 5 DDBDRO CSC1(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000578981561 422684038 /nfs/dbraw/zinc/68/40/38/422684038.db2.gz OFBDZOPJGSCCFL-LLVKDONJSA-N 1 0 312.391 1.820 20 5 DDBDRO CC(C)(C(=O)NC[C@]1(C)CCC[NH2+]C1)n1cc([N+](=O)[O-])cn1 ZINC000342617662 271464758 /nfs/dbraw/zinc/46/47/58/271464758.db2.gz KENCCTNEKKJURW-CQSZACIVSA-N 1 0 309.370 1.032 20 5 DDBDRO CCOC(=O)c1cc(C(=O)NC2CC[NH2+]CC2)cc([N+](=O)[O-])c1 ZINC000347504301 272710901 /nfs/dbraw/zinc/71/09/01/272710901.db2.gz UXKXNHPUXBTLSZ-UHFFFAOYSA-N 1 0 321.333 1.253 20 5 DDBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CCCNC1=O ZINC000295084876 274206509 /nfs/dbraw/zinc/20/65/09/274206509.db2.gz QTQGOUDWYKMSQY-GWCFXTLKSA-N 1 0 320.349 1.180 20 5 DDBDRO C[C@@H]1CN(c2ccc3ncccc3c2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000302389625 274364878 /nfs/dbraw/zinc/36/48/78/274364878.db2.gz IAQXHKNQJDIXJH-GFCCVEGCSA-N 1 0 316.361 1.646 20 5 DDBDRO Cc1c(C(=O)N2CCC[NH2+]CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000237743299 274659396 /nfs/dbraw/zinc/65/93/96/274659396.db2.gz OKHUDUNXLBTTIL-UHFFFAOYSA-N 1 0 308.294 1.247 20 5 DDBDRO O=[N+]([O-])c1cccc2c1ccnc2N1CCC[N@@H+](CCO)CC1 ZINC000450313217 275039611 /nfs/dbraw/zinc/03/96/11/275039611.db2.gz KNRLWLCGETYOEX-UHFFFAOYSA-N 1 0 316.361 1.647 20 5 DDBDRO CCOC(=O)c1cc(C(=O)NCC[C@H](C)[NH3+])cc([N+](=O)[O-])c1 ZINC000422776119 276297296 /nfs/dbraw/zinc/29/72/96/276297296.db2.gz DAUPCGCEQWFFNX-VIFPVBQESA-N 1 0 309.322 1.239 20 5 DDBDRO C[NH2+]C[C@H]1CCN(CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1 ZINC000430966484 277286266 /nfs/dbraw/zinc/28/62/66/277286266.db2.gz NXZBTLJTFGVCJJ-GFCCVEGCSA-N 1 0 306.366 1.383 20 5 DDBDRO C[C@@H](NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)[C@H](C)[NH3+] ZINC000449583035 278331882 /nfs/dbraw/zinc/33/18/82/278331882.db2.gz ADWMTSORKQMELB-VHSXEESVSA-N 1 0 303.322 1.246 20 5 DDBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@@H](C)C[NH3+] ZINC000441611282 278408613 /nfs/dbraw/zinc/40/86/13/278408613.db2.gz OHTSYGFLKXKPOJ-DTWKUNHWSA-N 1 0 315.757 1.727 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000447245212 278744711 /nfs/dbraw/zinc/74/47/11/278744711.db2.gz CRPYTBURVHFXAK-ZYHUDNBSSA-N 1 0 313.379 1.179 20 5 DDBDRO CC(C)C[C@H](C[NH3+])NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000124207020 279141984 /nfs/dbraw/zinc/14/19/84/279141984.db2.gz HDOLJHHYWLKOFY-SECBINFHSA-N 1 0 319.358 1.386 20 5 DDBDRO CN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC[NH+]1CCCC1 ZINC000089898169 281027196 /nfs/dbraw/zinc/02/71/96/281027196.db2.gz PIIJHOKKEGLXMA-UHFFFAOYSA-N 1 0 320.393 1.951 20 5 DDBDRO NC(=O)[C@@H]1CCCC[C@@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000130924803 281398871 /nfs/dbraw/zinc/39/88/71/281398871.db2.gz XBMFHWUFSCGBHQ-KGLIPLIRSA-N 1 0 307.350 1.607 20 5 DDBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000286630295 289043677 /nfs/dbraw/zinc/04/36/77/289043677.db2.gz AVRIPBJJNKZIAW-GHMZBOCLSA-N 1 0 307.354 1.027 20 5 DDBDRO Cc1c(CNC(=O)NCC[C@@H]2C[NH2+]C[C@H]2C)cccc1[N+](=O)[O-] ZINC001120619170 782058156 /nfs/dbraw/zinc/05/81/56/782058156.db2.gz OPIVLMVUYNWDOY-DGCLKSJQSA-N 1 0 320.393 1.948 20 5 DDBDRO CC(C)[N@H+](C)C[C@H](O)Cn1cnc2ccc([N+](=O)[O-])cc2c1=O ZINC000324328975 298262966 /nfs/dbraw/zinc/26/29/66/298262966.db2.gz ZUPOSDWQEPGQOV-LBPRGKRZSA-N 1 0 320.349 1.006 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C(C2CCC2)C2CCC2)c1 ZINC000325031185 298262991 /nfs/dbraw/zinc/26/29/91/298262991.db2.gz MBVPGSXIZRECDQ-AWEZNQCLSA-N 1 0 308.382 1.711 20 5 DDBDRO CC[N@H+](C)CCNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000354022928 298342273 /nfs/dbraw/zinc/34/22/73/298342273.db2.gz VBPRSKXRRZPYJB-UHFFFAOYSA-N 1 0 317.349 1.462 20 5 DDBDRO CC(=O)N[C@]1(c2nc(-c3cc([N+](=O)[O-])c[nH]3)cs2)CC[NH2+]C1 ZINC000356879584 298897532 /nfs/dbraw/zinc/89/75/32/298897532.db2.gz DOZSHDNGTITXCO-CYBMUJFWSA-N 1 0 321.362 1.371 20 5 DDBDRO C[C@H]1CC(C)(C)C[C@@](CO)([NH2+]CCn2ccc([N+](=O)[O-])n2)C1 ZINC000362232924 300034230 /nfs/dbraw/zinc/03/42/30/300034230.db2.gz JGNDJHLPYPTZJM-WFASDCNBSA-N 1 0 310.398 1.958 20 5 DDBDRO Nc1ccc(C(=O)N2CCC([NH+]3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000363070806 300206600 /nfs/dbraw/zinc/20/66/00/300206600.db2.gz YPPCXPWXTXHDDU-UHFFFAOYSA-N 1 0 318.377 1.877 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000364020015 300335515 /nfs/dbraw/zinc/33/55/15/300335515.db2.gz XKXIWJXPHMZODY-NWDGAFQWSA-N 1 0 319.361 1.960 20 5 DDBDRO Nc1ccc(NC2CC[NH+]([C@H]3CCOC3)CC2)c([N+](=O)[O-])c1 ZINC000367837393 300894520 /nfs/dbraw/zinc/89/45/20/300894520.db2.gz XDBNTBZVHAMUKN-ZDUSSCGKSA-N 1 0 306.366 1.842 20 5 DDBDRO CCCc1n[nH]c(C(=O)N[C@@H]2CC23CC[NH2+]CC3)c1[N+](=O)[O-] ZINC000368384030 301015684 /nfs/dbraw/zinc/01/56/84/301015684.db2.gz HCAMJBWBSPKBRW-SNVBAGLBSA-N 1 0 307.354 1.142 20 5 DDBDRO O=C(NC1CC[NH+](Cc2cccs2)CC1)[C@@H]1C[C@@H]1[N+](=O)[O-] ZINC000368804893 301090268 /nfs/dbraw/zinc/09/02/68/301090268.db2.gz JTJXZFHMJMFIFD-OLZOCXBDSA-N 1 0 309.391 1.494 20 5 DDBDRO O=C1O[C@@H](C[N@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)CC12CC2 ZINC000369007170 301118288 /nfs/dbraw/zinc/11/82/88/301118288.db2.gz GRHCOKNDLRSWQB-DGCLKSJQSA-N 1 0 320.349 1.524 20 5 DDBDRO Cc1cc(C)c(S(=O)(=O)N2C[C@H]([NH3+])[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000440841500 301197589 /nfs/dbraw/zinc/19/75/89/301197589.db2.gz JBDVQOJNLBZBTJ-QWRGUYRKSA-N 1 0 313.379 1.179 20 5 DDBDRO C[C@@H]1CN(c2ncccc2[N+](=O)[O-])CC[C@H]1[NH+]1CCN(C)CC1 ZINC000371350443 301454325 /nfs/dbraw/zinc/45/43/25/301454325.db2.gz RZNLTGNBIGBKAX-ZIAGYGMSSA-N 1 0 319.409 1.452 20 5 DDBDRO [NH3+][C@H]1CCC[C@]12CCN(C(=O)Cc1cccc([N+](=O)[O-])c1)C2 ZINC000372783149 301612885 /nfs/dbraw/zinc/61/28/85/301612885.db2.gz LVKBLLPFZBASBZ-GOEBONIOSA-N 1 0 303.362 1.867 20 5 DDBDRO Cc1ccc(S(=O)(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)c([N+](=O)[O-])c1 ZINC000447252179 301681795 /nfs/dbraw/zinc/68/17/95/301681795.db2.gz ZZWAVEBMKBZOMV-MNOVXSKESA-N 1 0 313.379 1.261 20 5 DDBDRO C[C@](O)(C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)C(F)(F)F ZINC000374174521 301773470 /nfs/dbraw/zinc/77/34/70/301773470.db2.gz JBFTZXZNKMVSBM-NSHDSACASA-N 1 0 322.287 1.742 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](CO)C[NH+]1CCCCC1 ZINC000294478392 302039190 /nfs/dbraw/zinc/03/91/90/302039190.db2.gz RLPCANNMXXMSMG-CYBMUJFWSA-N 1 0 321.377 1.480 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[NH2+][C@@H](C)[C@H]1C ZINC000262736785 302043691 /nfs/dbraw/zinc/04/36/91/302043691.db2.gz APWIFLGJHGNOMY-WDEREUQCSA-N 1 0 313.379 1.274 20 5 DDBDRO CC(C)[N@@H+]1CCO[C@H](C(=O)NCc2ccccc2[N+](=O)[O-])C1 ZINC000377647964 302203038 /nfs/dbraw/zinc/20/30/38/302203038.db2.gz WDRJPONZGXIKBW-AWEZNQCLSA-N 1 0 307.350 1.320 20 5 DDBDRO [NH3+][C@H](C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)C1CCC1 ZINC000399178224 302365436 /nfs/dbraw/zinc/36/54/36/302365436.db2.gz IJZHIYSWDWBQSL-HNNXBMFYSA-N 1 0 318.377 1.371 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000420333847 302382785 /nfs/dbraw/zinc/38/27/85/302382785.db2.gz FWQWNVOTRGKPQP-RISCZKNCSA-N 1 0 304.350 1.135 20 5 DDBDRO [NH3+][C@H]1CCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000429085726 302387290 /nfs/dbraw/zinc/38/72/90/302387290.db2.gz RJXHOBSICXVSIG-QMMMGPOBSA-N 1 0 302.290 1.022 20 5 DDBDRO C[C@@H](C[NH3+])CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000447243320 302395373 /nfs/dbraw/zinc/39/53/73/302395373.db2.gz ARZAFZNTUIYNHR-ZETCQYMHSA-N 1 0 307.759 1.121 20 5 DDBDRO COC1(CC[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCC1 ZINC000519763798 302853076 /nfs/dbraw/zinc/85/30/76/302853076.db2.gz VGURDMOCBAOYFI-CYBMUJFWSA-N 1 0 324.377 1.883 20 5 DDBDRO CC(C)OC1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000530686028 303208576 /nfs/dbraw/zinc/20/85/76/303208576.db2.gz APFAOCGOYMQHLH-CYBMUJFWSA-N 1 0 312.370 1.042 20 5 DDBDRO C[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CCOCC1 ZINC000532988800 303303732 /nfs/dbraw/zinc/30/37/32/303303732.db2.gz HAZOSWWXWGVMSN-UHFFFAOYSA-N 1 0 319.361 1.595 20 5 DDBDRO CN(Cc1c(F)cccc1[N+](=O)[O-])C1CC[NH+](CCO)CC1 ZINC000357652320 306902925 /nfs/dbraw/zinc/90/29/25/306902925.db2.gz UOCUXFQYCAJVMK-UHFFFAOYSA-N 1 0 311.357 1.622 20 5 DDBDRO C[NH+](C)CC1(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CCC1 ZINC000545252243 303486999 /nfs/dbraw/zinc/48/69/99/303486999.db2.gz GAJBZMBBTUKOJP-UHFFFAOYSA-N 1 0 321.333 1.538 20 5 DDBDRO Cn1nccc1CC[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000367251988 307089827 /nfs/dbraw/zinc/08/98/27/307089827.db2.gz KGQMPTCMFRULJQ-CYBMUJFWSA-N 1 0 304.354 1.404 20 5 DDBDRO CC[N@@H+]1CCCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CC1 ZINC000367442730 307093629 /nfs/dbraw/zinc/09/36/29/307093629.db2.gz KGZHLONKWASHDB-UHFFFAOYSA-N 1 0 317.349 1.776 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N(C1CC1)C1CC[NH2+]CC1 ZINC000370793073 307136538 /nfs/dbraw/zinc/13/65/38/307136538.db2.gz HFSZECTWECJDJX-UHFFFAOYSA-N 1 0 319.361 1.717 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000372919152 307176550 /nfs/dbraw/zinc/17/65/50/307176550.db2.gz NSSFQYFKWOVQCU-BXUZGUMPSA-N 1 0 305.334 1.184 20 5 DDBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CC[NH+]2CCC1CC2 ZINC000377107637 307263229 /nfs/dbraw/zinc/26/32/29/307263229.db2.gz VNROGHFNDNSXLJ-UHFFFAOYSA-N 1 0 318.377 1.627 20 5 DDBDRO CN1CC[NH2+]C[C@H]1CNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000394778849 307295719 /nfs/dbraw/zinc/29/57/19/307295719.db2.gz PYBKZSXOCQRHLW-NSHDSACASA-N 1 0 301.350 1.459 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)n1 ZINC000563088764 307954742 /nfs/dbraw/zinc/95/47/42/307954742.db2.gz HQQAEVYMXNOVBB-CQSZACIVSA-N 1 0 307.354 1.027 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@@H]([NH3+])C[C@H]1C ZINC000563349103 307965651 /nfs/dbraw/zinc/96/56/51/307965651.db2.gz PKCZHGFBLSYCGM-VXGBXAGGSA-N 1 0 306.366 1.653 20 5 DDBDRO Cc1nnsc1C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000563709034 307979584 /nfs/dbraw/zinc/97/95/84/307979584.db2.gz SPDIOFIUXFVTKH-LLVKDONJSA-N 1 0 324.362 1.284 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000565711098 308037560 /nfs/dbraw/zinc/03/75/60/308037560.db2.gz INODQHCKJUNDKM-JTQLQIEISA-N 1 0 315.333 1.397 20 5 DDBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000566975265 308067551 /nfs/dbraw/zinc/06/75/51/308067551.db2.gz YPFVKQCJTJCNEP-MNOVXSKESA-N 1 0 317.349 1.636 20 5 DDBDRO COc1ccc(CC(=O)NC[C@H]2CCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000567604946 308086124 /nfs/dbraw/zinc/08/61/24/308086124.db2.gz SXWDAQRTFPGZGH-STQMWFEESA-N 1 0 321.377 1.780 20 5 DDBDRO COc1ccc(CC(=O)N[C@@](C)(C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000567669091 308088975 /nfs/dbraw/zinc/08/89/75/308088975.db2.gz GZCBNFHMFXYCLN-HNNXBMFYSA-N 1 0 307.350 1.390 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@H]([NH3+])C[C@H]1C ZINC000569469376 308145214 /nfs/dbraw/zinc/14/52/14/308145214.db2.gz WNGLKKZFVCSOEP-NEPJUHHUSA-N 1 0 306.366 1.653 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])c(NC[C@@H](C)N2CC[NH+](C)CC2)n1 ZINC000569879534 308152571 /nfs/dbraw/zinc/15/25/71/308152571.db2.gz QPMSVIFAOARMEN-CYBMUJFWSA-N 1 0 307.398 1.654 20 5 DDBDRO NC(=O)c1cccc([N+](=O)[O-])c1NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000571870728 308205077 /nfs/dbraw/zinc/20/50/77/308205077.db2.gz QATPCYWYRRBUBY-JTQLQIEISA-N 1 0 304.350 1.590 20 5 DDBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000573203364 308233636 /nfs/dbraw/zinc/23/36/36/308233636.db2.gz BZOKRYKFOZSCCM-UKRRQHHQSA-N 1 0 305.334 1.089 20 5 DDBDRO C[C@H](Cc1ccc(O)cc1)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000573713279 308250287 /nfs/dbraw/zinc/25/02/87/308250287.db2.gz OBHIALJDPBJBEK-IAQYHMDHSA-N 1 0 320.349 1.079 20 5 DDBDRO CN(C(=O)c1ccc([N+](=O)[O-])cn1)C(C)(C)C[NH+]1CCCC1 ZINC000575234656 308273432 /nfs/dbraw/zinc/27/34/32/308273432.db2.gz PLDLDZJKRBWKJN-UHFFFAOYSA-N 1 0 306.366 1.936 20 5 DDBDRO Cc1ccc(F)c(CC[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000577172508 308367811 /nfs/dbraw/zinc/36/78/11/308367811.db2.gz XMGITIIHADXUMG-CQSZACIVSA-N 1 0 322.340 1.432 20 5 DDBDRO CC(C)O[C@H]1C[C@@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000578187101 308443543 /nfs/dbraw/zinc/44/35/43/308443543.db2.gz OVWPXXNFPWCSSU-MCIONIFRSA-N 1 0 324.377 1.880 20 5 DDBDRO COc1cc(C(=O)N[C@@H](C)C[C@@H](C)[NH3+])cc([N+](=O)[O-])c1OC ZINC000578324762 308453906 /nfs/dbraw/zinc/45/39/06/308453906.db2.gz VOMFKDXRHHEUGI-BDAKNGLRSA-N 1 0 311.338 1.468 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@H]3CCSC3)CC2)cn1 ZINC000579065712 308503520 /nfs/dbraw/zinc/50/35/20/308503520.db2.gz BNLYLARAYLZBOV-GFCCVEGCSA-N 1 0 308.407 1.865 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@@H]3CCSC3)CC2)cn1 ZINC000579065713 308503629 /nfs/dbraw/zinc/50/36/29/308503629.db2.gz BNLYLARAYLZBOV-LBPRGKRZSA-N 1 0 308.407 1.865 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H]1CCCC[C@@H]1O ZINC000579122696 308509387 /nfs/dbraw/zinc/50/93/87/308509387.db2.gz IURBWZAAUWBRGI-DYEKYZERSA-N 1 0 310.350 1.228 20 5 DDBDRO COc1ccc(CC(=O)N[C@@H](CC[NH3+])C(F)F)cc1[N+](=O)[O-] ZINC000579472863 308534379 /nfs/dbraw/zinc/53/43/79/308534379.db2.gz SSKQKZPYFAORRT-VIFPVBQESA-N 1 0 317.292 1.245 20 5 DDBDRO C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@H](C)[NH3+] ZINC000381458350 325741549 /nfs/dbraw/zinc/74/15/49/325741549.db2.gz IKAHYZYJRATJIA-NKWVEPMBSA-N 1 0 307.759 1.262 20 5 DDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000382483475 325746062 /nfs/dbraw/zinc/74/60/62/325746062.db2.gz XZJSQDGJURDMMX-WDEREUQCSA-N 1 0 313.379 1.309 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H](CO)CC2CCC2)c1 ZINC000582905541 337213895 /nfs/dbraw/zinc/21/38/95/337213895.db2.gz RYPFBBZLGGCPSN-UKRRQHHQSA-N 1 0 324.377 1.475 20 5 DDBDRO Cc1ccc(S(=O)(=O)NCCC[NH2+]C(C)C)cc1[N+](=O)[O-] ZINC000036299719 337352853 /nfs/dbraw/zinc/35/28/53/337352853.db2.gz XYSUAUGVQNYOHA-UHFFFAOYSA-N 1 0 315.395 1.570 20 5 DDBDRO C[C@H]1[NH2+]CCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000436046682 534121127 /nfs/dbraw/zinc/12/11/27/534121127.db2.gz CARLWKIWSPHMEB-VXGBXAGGSA-N 1 0 306.366 1.240 20 5 DDBDRO CCOc1ccc(C(=O)N2CC[C@]3(CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000159143375 520899634 /nfs/dbraw/zinc/89/96/34/520899634.db2.gz PRNAQLJEMMKOMO-INIZCTEOSA-N 1 0 319.361 1.819 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000154398385 527313738 /nfs/dbraw/zinc/31/37/38/527313738.db2.gz DWVCBCMWPDXPEA-SWLSCSKDSA-N 1 0 318.377 1.855 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@@H](Nc3ccccc3)C2)c1 ZINC000157918744 527414212 /nfs/dbraw/zinc/41/42/12/527414212.db2.gz WUFWFEURDZEYAX-CQSZACIVSA-N 1 0 301.350 1.978 20 5 DDBDRO CC1(C)[C@H]([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)[C@@H]2CCO[C@@H]21 ZINC000451473507 527870423 /nfs/dbraw/zinc/87/04/23/527870423.db2.gz WNOIRKOTCSUYDF-YUTCNCBUSA-N 1 0 307.350 1.160 20 5 DDBDRO CCOc1cc(N2C[C@@H](C)[N@H+](CCO)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000419007322 528313256 /nfs/dbraw/zinc/31/32/56/528313256.db2.gz RKITYCALSFULKG-OLZOCXBDSA-N 1 0 323.393 1.885 20 5 DDBDRO CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@@H](C)CO ZINC000292859286 528401106 /nfs/dbraw/zinc/40/11/06/528401106.db2.gz ACLJBZCRDILFNY-LBPRGKRZSA-N 1 0 309.366 1.935 20 5 DDBDRO CCOCC[C@@H](O)C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000444657234 528863729 /nfs/dbraw/zinc/86/37/29/528863729.db2.gz KBVXXSFWOBKWDQ-TZMCWYRMSA-N 1 0 324.381 1.264 20 5 DDBDRO C[C@@H]1CCC[N@@H+]1CCNc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000820715715 599084448 /nfs/dbraw/zinc/08/44/48/599084448.db2.gz DNGHYCJVMXTLAG-SNVBAGLBSA-N 1 0 317.353 1.671 20 5 DDBDRO Cc1cc(Cl)c(S(=O)(=O)N[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000123206403 696729651 /nfs/dbraw/zinc/72/96/51/696729651.db2.gz OUAFHPLPHKPYKL-QMMMGPOBSA-N 1 0 319.770 1.197 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000108327195 696633466 /nfs/dbraw/zinc/63/34/66/696633466.db2.gz FVNOKZRDCBOYIB-LBPRGKRZSA-N 1 0 320.393 1.732 20 5 DDBDRO CCC([NH3+])(CC)CNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000124758277 696745740 /nfs/dbraw/zinc/74/57/40/696745740.db2.gz FCMQTZOENKQZGE-UHFFFAOYSA-N 1 0 319.358 1.530 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCS[C@H]3COCC[C@H]32)cc1 ZINC000776587133 698122516 /nfs/dbraw/zinc/12/25/16/698122516.db2.gz ULYPECVAELXWFB-KFWWJZLASA-N 1 0 324.402 1.835 20 5 DDBDRO CC(C)(CO)[NH+]1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776591828 698123804 /nfs/dbraw/zinc/12/38/04/698123804.db2.gz IAHCXFMWTPCVMG-OAHLLOKOSA-N 1 0 323.393 1.017 20 5 DDBDRO O=[N+]([O-])c1ccc(F)cc1CN1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262437525 698469445 /nfs/dbraw/zinc/46/94/45/698469445.db2.gz GLWBDRPMAFUIBU-CQSZACIVSA-N 1 0 308.357 1.213 20 5 DDBDRO Cc1nn(CN2CCC[C@@H](C(=O)N3CCCC3)C2)cc1[N+](=O)[O-] ZINC000779860547 698476346 /nfs/dbraw/zinc/47/63/46/698476346.db2.gz AQSBGHKNYRNWLG-CYBMUJFWSA-N 1 0 321.381 1.392 20 5 DDBDRO CO[C@@H]1CN(Cn2nc(C)c3cc([N+](=O)[O-])cnc32)CC[C@H]1C ZINC000783969074 698896385 /nfs/dbraw/zinc/89/63/85/698896385.db2.gz RYPGQAHNVPSBMJ-QMTHXVAHSA-N 1 0 319.365 1.962 20 5 DDBDRO CC(C)C[N@@H+]1CCO[C@H](CNc2ccc(N)cc2[N+](=O)[O-])C1 ZINC000786574200 699155352 /nfs/dbraw/zinc/15/53/52/699155352.db2.gz LOQKEAGAEWTPPH-CYBMUJFWSA-N 1 0 308.382 1.946 20 5 DDBDRO C[NH2+]CCN(C(C)C)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000720767577 699308551 /nfs/dbraw/zinc/30/85/51/699308551.db2.gz JFGCSKFWMOVROE-UHFFFAOYSA-N 1 0 301.368 1.213 20 5 DDBDRO C[NH+]1CCC2(CCN2C(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000742186516 699863905 /nfs/dbraw/zinc/86/39/05/699863905.db2.gz DHMIARCKZIERJL-UHFFFAOYSA-N 1 0 319.361 1.670 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[N@H+](C)[C@H](C)C1 ZINC000761076616 700840117 /nfs/dbraw/zinc/84/01/17/700840117.db2.gz HXNGGVZQCFUJEI-CYBMUJFWSA-N 1 0 320.393 1.868 20 5 DDBDRO O=C1[C@@H]([NH2+][C@@H](CO)C2CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000771812339 701332357 /nfs/dbraw/zinc/33/23/57/701332357.db2.gz HMLNNPYFCUEOOS-KBPBESRZSA-N 1 0 305.334 1.061 20 5 DDBDRO CC[NH+](CC)CCS(=O)(=O)Oc1cccc([N+](=O)[O-])c1C ZINC000810041796 701714858 /nfs/dbraw/zinc/71/48/58/701714858.db2.gz CLZPFTOVGMKHGC-UHFFFAOYSA-N 1 0 316.379 1.954 20 5 DDBDRO CN(C)C(=O)[C@H]1CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000839636466 701761874 /nfs/dbraw/zinc/76/18/74/701761874.db2.gz SPONLTJVRYZFJT-GXTWGEPZSA-N 1 0 307.350 1.038 20 5 DDBDRO COC(=O)[C@]1(C)CCC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000839668351 701773623 /nfs/dbraw/zinc/77/36/23/701773623.db2.gz ZRGXFQMRYHLJCZ-GDBMZVCRSA-N 1 0 322.361 1.903 20 5 DDBDRO CSc1ccc([C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000839780911 701824314 /nfs/dbraw/zinc/82/43/14/701824314.db2.gz YOHPHKROOHPNDY-MCIONIFRSA-N 1 0 323.418 1.793 20 5 DDBDRO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC[NH+](CCC(F)(F)F)CC1 ZINC000840474764 702124302 /nfs/dbraw/zinc/12/43/02/702124302.db2.gz MOYOBGRHAWYDPT-GHMZBOCLSA-N 1 0 323.315 1.527 20 5 DDBDRO CC[N@H+](Cn1nc(C)c2cc([N+](=O)[O-])cnc21)[C@@H]1CCOC1 ZINC000812297267 702141067 /nfs/dbraw/zinc/14/10/67/702141067.db2.gz WQXTXTHDIPRSAG-LLVKDONJSA-N 1 0 305.338 1.716 20 5 DDBDRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000816952049 702235026 /nfs/dbraw/zinc/23/50/26/702235026.db2.gz BEMWUXMHGRUYJB-SDBXPKJASA-N 1 0 308.313 1.092 20 5 DDBDRO Cc1occc1C[NH2+][C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000840897607 702272813 /nfs/dbraw/zinc/27/28/13/702272813.db2.gz MRBQKWCDJULRIM-HUUCEWRRSA-N 1 0 306.318 1.680 20 5 DDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000818000732 702548433 /nfs/dbraw/zinc/54/84/33/702548433.db2.gz UTBRQQOZWKJUEX-IAQYHMDHSA-N 1 0 318.377 1.781 20 5 DDBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCN1CC[C@H](O)C1 ZINC000866396833 706689378 /nfs/dbraw/zinc/68/93/78/706689378.db2.gz ASAPKUDWEULJHX-RISCZKNCSA-N 1 0 311.357 1.321 20 5 DDBDRO C[C@H]1[C@@H]([NH3+])CCN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000842475758 702725405 /nfs/dbraw/zinc/72/54/05/702725405.db2.gz UKSGSJYTJXRTAF-CABZTGNLSA-N 1 0 310.329 1.484 20 5 DDBDRO C[NH2+]C[C@H](C)c1noc(-c2cc(C(=O)OC)cc([N+](=O)[O-])c2)n1 ZINC000842581778 702736190 /nfs/dbraw/zinc/73/61/90/702736190.db2.gz UZYJUJYADQELJS-QMMMGPOBSA-N 1 0 320.305 1.754 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCCCCC[NH3+] ZINC000842922127 702791155 /nfs/dbraw/zinc/79/11/55/702791155.db2.gz NWIFOTNXNJVYEA-UHFFFAOYSA-N 1 0 315.395 1.701 20 5 DDBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879533662 706710806 /nfs/dbraw/zinc/71/08/06/706710806.db2.gz IOJLESWFFJSPPJ-JLLWLGSASA-N 1 0 303.318 1.202 20 5 DDBDRO Nc1ccc(-c2noc(C[C@@H]3CCC[C@H]3[NH3+])n2)cc1[N+](=O)[O-] ZINC000844907470 703082838 /nfs/dbraw/zinc/08/28/38/703082838.db2.gz RYRVCDVPCFGKEW-WCBMZHEXSA-N 1 0 303.322 1.897 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(CC(=O)Nc3ccccc3[N+](=O)[O-])CC[C@H]21 ZINC000879576441 706724632 /nfs/dbraw/zinc/72/46/32/706724632.db2.gz SCGJMWIDCQPDKF-TZMCWYRMSA-N 1 0 318.377 1.559 20 5 DDBDRO Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)N[C@@H](C)C[NH3+])c1 ZINC000846675295 703313733 /nfs/dbraw/zinc/31/37/33/703313733.db2.gz PMZNRZSKMSCDAN-JTQLQIEISA-N 1 0 317.349 1.225 20 5 DDBDRO Nc1ccc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1[N+](=O)[O-] ZINC000846689781 703318197 /nfs/dbraw/zinc/31/81/97/703318197.db2.gz TZAQCOKKQRPCCK-NHYWBVRUSA-N 1 0 304.350 1.378 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000848766666 703586154 /nfs/dbraw/zinc/58/61/54/703586154.db2.gz UBGWMTJYEGXZIM-NWDGAFQWSA-N 1 0 311.769 1.812 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCN(C)C(=O)OC ZINC000850389693 703729037 /nfs/dbraw/zinc/72/90/37/703729037.db2.gz DXSHOMUTRRFKGX-UHFFFAOYSA-N 1 0 311.338 1.781 20 5 DDBDRO O=C(CCN1CCC[C@@H]2[NH2+]CC[C@@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000866722332 706775947 /nfs/dbraw/zinc/77/59/47/706775947.db2.gz XFHPCHRHWZGYIG-JSGCOSHPSA-N 1 0 318.377 1.750 20 5 DDBDRO O=C1CCC2=C(CC[N@@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)N1 ZINC000852298426 704001219 /nfs/dbraw/zinc/00/12/19/704001219.db2.gz ZTBKXOMUWWTWNK-HNNXBMFYSA-N 1 0 317.345 1.498 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCCCn2ccnc2)c1 ZINC000819058021 704062079 /nfs/dbraw/zinc/06/20/79/704062079.db2.gz CJAFEGUORVVTBZ-OAHLLOKOSA-N 1 0 304.350 1.895 20 5 DDBDRO CC(C)N1CC[C@@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1=O ZINC000819072433 704065478 /nfs/dbraw/zinc/06/54/78/704065478.db2.gz LIWLAENWAZPNHM-ZIAGYGMSSA-N 1 0 307.350 1.227 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CCOC[C@H]2CCCO2)cc1 ZINC000819073505 704065534 /nfs/dbraw/zinc/06/55/34/704065534.db2.gz NGDYCEGKQPXTSD-CABCVRRESA-N 1 0 310.350 1.413 20 5 DDBDRO COC(=O)NC1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000852767467 704119147 /nfs/dbraw/zinc/11/91/47/704119147.db2.gz TUZMJKASHJARND-CQSZACIVSA-N 1 0 323.349 1.449 20 5 DDBDRO [NH3+]C[C@@H]1CC(C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)=NO1 ZINC000852895144 704164458 /nfs/dbraw/zinc/16/44/58/704164458.db2.gz YGJHIEGCJIBKAE-ZDUSSCGKSA-N 1 0 318.333 1.189 20 5 DDBDRO CCCN(CC[NH+](C)C)C(=O)[C@](C)(N)c1cccc([N+](=O)[O-])c1 ZINC000870910879 704165132 /nfs/dbraw/zinc/16/51/32/704165132.db2.gz VHPFKXWAOQOODO-MRXNPFEDSA-N 1 0 322.409 1.569 20 5 DDBDRO CN(CC1C[NH+](C)C1)c1ccc([N+](=O)[O-])cc1N1CCOC1=O ZINC000853825973 704322136 /nfs/dbraw/zinc/32/21/36/704322136.db2.gz YTFGUMAYDCCELF-UHFFFAOYSA-N 1 0 320.349 1.549 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)NC(C)(C)CCC[NH+](C)C ZINC000821543007 704420748 /nfs/dbraw/zinc/42/07/48/704420748.db2.gz CNJXSWVPPDDLIQ-UHFFFAOYSA-N 1 0 311.386 1.336 20 5 DDBDRO CC(C)(C[NH3+])NC(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857764699 704621950 /nfs/dbraw/zinc/62/19/50/704621950.db2.gz XTRLOLSLFCIBLS-UHFFFAOYSA-N 1 0 303.265 1.420 20 5 DDBDRO C[C@]1(NC(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)CC[NH2+]C1 ZINC000857768739 704623180 /nfs/dbraw/zinc/62/31/80/704623180.db2.gz XLFXMAKFXIOBDD-LBPRGKRZSA-N 1 0 315.276 1.435 20 5 DDBDRO C[C@H](C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[NH+](C)C ZINC000873789443 704850997 /nfs/dbraw/zinc/85/09/97/704850997.db2.gz WXUJVMKJKQOKKC-GFCCVEGCSA-N 1 0 306.366 1.194 20 5 DDBDRO COCC1(c2nc(-c3cccc([N+](=O)[O-])c3)no2)CC[NH2+]CC1 ZINC000822653796 704997682 /nfs/dbraw/zinc/99/76/82/704997682.db2.gz BREPGQCABQXEHJ-UHFFFAOYSA-N 1 0 318.333 1.912 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1-c1noc(C[C@H]2COCC[NH2+]2)n1 ZINC000822808023 705046113 /nfs/dbraw/zinc/04/61/13/705046113.db2.gz OIDAHAMMGHHUGP-JTQLQIEISA-N 1 0 304.306 1.484 20 5 DDBDRO CC[C@H]1[NH2+]CC[C@H]1c1nc(-c2c([N+](=O)[O-])nc(C)n2C)no1 ZINC000823094034 705137173 /nfs/dbraw/zinc/13/71/73/705137173.db2.gz MKSQWXUFMVSTBD-RKDXNWHRSA-N 1 0 306.326 1.542 20 5 DDBDRO O=C(c1cc([N+](=O)[O-])ccc1F)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000861718168 705549609 /nfs/dbraw/zinc/54/96/09/705549609.db2.gz WMWSWAOTWQTABW-NWDGAFQWSA-N 1 0 323.324 1.015 20 5 DDBDRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000825188160 705620026 /nfs/dbraw/zinc/62/00/26/705620026.db2.gz GZXVPSDZXUQZPM-PSASIEDQSA-N 1 0 308.294 1.360 20 5 DDBDRO CO[C@@]1(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCOC1 ZINC000876530028 705747820 /nfs/dbraw/zinc/74/78/20/705747820.db2.gz IYXVBTXWEYTUFF-MRXNPFEDSA-N 1 0 321.377 1.522 20 5 DDBDRO COc1ccc(CNC(=O)[C@@H](F)[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000876612349 705783928 /nfs/dbraw/zinc/78/39/28/705783928.db2.gz JVLDHCWFWZOMPI-GWCFXTLKSA-N 1 0 311.313 1.167 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](N2CCOC2=O)C1 ZINC000827000805 705910488 /nfs/dbraw/zinc/91/04/88/705910488.db2.gz OXOIFLVBRBOJBG-CQSZACIVSA-N 1 0 305.334 1.930 20 5 DDBDRO CN(C)[C@H](C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)c1ccco1 ZINC000876890473 705911135 /nfs/dbraw/zinc/91/11/35/705911135.db2.gz ABPCAVZOJJLAKM-ORHYLEIMSA-N 1 0 319.365 1.980 20 5 DDBDRO C[C@@H](CN1CCCC1=O)[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000876950667 705935160 /nfs/dbraw/zinc/93/51/60/705935160.db2.gz RZORNCFPYQMZJJ-UNXYVOJBSA-N 1 0 307.354 1.095 20 5 DDBDRO CC1(C)CC[C@@H](CNC(=O)CNc2ccccc2[N+](=O)[O-])[NH2+]C1 ZINC000877156262 706000365 /nfs/dbraw/zinc/00/03/65/706000365.db2.gz TVDWYGBLQBJYQF-LBPRGKRZSA-N 1 0 320.393 1.901 20 5 DDBDRO C[C@H]1C[C@H]([NH3+])CN1C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000877172319 706005818 /nfs/dbraw/zinc/00/58/18/706005818.db2.gz QHYKZRIXKAKPQK-CBAPKCEASA-N 1 0 315.732 1.878 20 5 DDBDRO [NH3+]C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)C[C@H]1C(F)(F)F ZINC000877371640 706084231 /nfs/dbraw/zinc/08/42/31/706084231.db2.gz UKGKKUXWDFVBTI-MWLCHTKSSA-N 1 0 317.267 1.804 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000877394945 706094359 /nfs/dbraw/zinc/09/43/59/706094359.db2.gz XRTAZRSAYRYVDD-ZFWWWQNUSA-N 1 0 323.324 1.514 20 5 DDBDRO O=C(NC12CC[NH+](CC1)C2)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000828009391 706103071 /nfs/dbraw/zinc/10/30/71/706103071.db2.gz FQSHMXAJEULYLK-KGLIPLIRSA-N 1 0 301.346 1.663 20 5 DDBDRO CO[C@@H]1COCC[C@H]1C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877564216 706143641 /nfs/dbraw/zinc/14/36/41/706143641.db2.gz VPBNGBHOSIQEBM-DLOFLVKXSA-N 1 0 310.354 1.136 20 5 DDBDRO C[NH+](C)CCCNc1ccc([N+](=O)[O-])cc1C(=O)NC1CC1 ZINC000881736724 707344025 /nfs/dbraw/zinc/34/40/25/707344025.db2.gz GIIOWYQLDKRMSI-UHFFFAOYSA-N 1 0 306.366 1.851 20 5 DDBDRO Cn1nnnc1C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000877781536 706209500 /nfs/dbraw/zinc/20/95/00/706209500.db2.gz LILJZMWKRSYIDS-UHFFFAOYSA-N 1 0 302.338 1.498 20 5 DDBDRO C[C@@H]1CSC[C@H]1[NH2+][C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000877831473 706226893 /nfs/dbraw/zinc/22/68/93/706226893.db2.gz UUXOJXBDXKAKCY-ICGCDAGXSA-N 1 0 312.391 1.330 20 5 DDBDRO O=[N+]([O-])c1c(F)nccc1N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000881915800 707423034 /nfs/dbraw/zinc/42/30/34/707423034.db2.gz QOWYMUHWHHKDDT-PWSUYJOCSA-N 1 0 310.329 1.164 20 5 DDBDRO O=[N+]([O-])c1c(F)nccc1N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000881915801 707423367 /nfs/dbraw/zinc/42/33/67/707423367.db2.gz QOWYMUHWHHKDDT-ZYHUDNBSSA-N 1 0 310.329 1.164 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@@H](c2ccccn2)C1 ZINC000878553787 706425882 /nfs/dbraw/zinc/42/58/82/706425882.db2.gz RUNVCLBSDZQOJO-CYBMUJFWSA-N 1 0 301.350 1.984 20 5 DDBDRO O=[N+]([O-])c1cccc(OCCN2C[C@@H]3CCC[N@H+]3C[C@@H]2CO)c1 ZINC000880070959 706870484 /nfs/dbraw/zinc/87/04/84/706870484.db2.gz PCQZZXUEPJCSCS-LSDHHAIUSA-N 1 0 321.377 1.115 20 5 DDBDRO O=[N+]([O-])c1ccn(CCN2CCC[C@H]([NH2+]C3CCOCC3)C2)n1 ZINC000880208309 706910645 /nfs/dbraw/zinc/91/06/45/706910645.db2.gz QQASIILRYNIWGD-AWEZNQCLSA-N 1 0 323.397 1.024 20 5 DDBDRO COC[C@H](CO)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872068688 707287132 /nfs/dbraw/zinc/28/71/32/707287132.db2.gz HUQPWHXSZSFIDX-ZJUUUORDSA-N 1 0 300.380 1.975 20 5 DDBDRO O=[N+]([O-])c1cccc(-c2cnn(C[N@@H+]3C[C@@H]4COC[C@@H]4C3)c2)c1 ZINC000872785478 707601291 /nfs/dbraw/zinc/60/12/91/707601291.db2.gz CWOYCBOQCUYZOP-GASCZTMLSA-N 1 0 314.345 1.994 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCC(=O)N1CCOCC1 ZINC000873017971 707695777 /nfs/dbraw/zinc/69/57/77/707695777.db2.gz NGXJGLGSAVOBNV-UHFFFAOYSA-N 1 0 321.377 1.550 20 5 DDBDRO Cc1c(C[NH2+]C[C@@H]2CCCS(=O)(=O)C2)cccc1[N+](=O)[O-] ZINC000873127199 707742108 /nfs/dbraw/zinc/74/21/08/707742108.db2.gz ONYHNDPCTOUFRP-LBPRGKRZSA-N 1 0 312.391 1.818 20 5 DDBDRO C[N@@H+]1CCC[C@@H](CCNC(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000838144214 707853597 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DDBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](C[C@H]3C[C@]34CCOC4)C2)nc1 ZINC000886067096 708691515 /nfs/dbraw/zinc/69/15/15/708691515.db2.gz HFLYJRLAWYNQBR-IOASZLSFSA-N 1 0 318.377 1.903 20 5 DDBDRO CN(CCC[NH+]1CCN(C)CC1)Cc1cccnc1[N+](=O)[O-] ZINC000886091627 708696669 /nfs/dbraw/zinc/69/66/69/708696669.db2.gz FEQWTROOAGTZOE-UHFFFAOYSA-N 1 0 307.398 1.059 20 5 DDBDRO C[C@@H]1CN(Cc2cccnc2[N+](=O)[O-])CC[N@@H+]1CC(C)(C)O ZINC000886160426 708708040 /nfs/dbraw/zinc/70/80/40/708708040.db2.gz SVLJNRVOFCZLAZ-GFCCVEGCSA-N 1 0 308.382 1.267 20 5 DDBDRO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@H]3C[C@@]34CCOC4)CC2)n1 ZINC000886174997 708710037 /nfs/dbraw/zinc/71/00/37/708710037.db2.gz OFLMDSSHDFHKHK-IUODEOHRSA-N 1 0 306.366 1.855 20 5 DDBDRO O=[N+]([O-])c1cccnc1N1CC[NH+](C[C@H]2C[C@]23CCOC3)CC1 ZINC000886239279 708721955 /nfs/dbraw/zinc/72/19/55/708721955.db2.gz SWRKTWJWYWZMHB-CJNGLKHVSA-N 1 0 318.377 1.538 20 5 DDBDRO COCC[N@H+]1[C@H](C)CN(Cc2cccnc2[N+](=O)[O-])C[C@@H]1C ZINC000886265729 708732480 /nfs/dbraw/zinc/73/24/80/708732480.db2.gz PYERCQJQTKIUPW-BETUJISGSA-N 1 0 308.382 1.531 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCN1CCNC1=O ZINC000886747271 708834415 /nfs/dbraw/zinc/83/44/15/708834415.db2.gz PHUNWTYJZDHRRA-SNVBAGLBSA-N 1 0 308.338 1.279 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000886823105 708854312 /nfs/dbraw/zinc/85/43/12/708854312.db2.gz ZAIWXAMQLVNYLE-JSGCOSHPSA-N 1 0 307.350 1.257 20 5 DDBDRO CCN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@H]1CC[NH2+]C1 ZINC000886854257 708864882 /nfs/dbraw/zinc/86/48/82/708864882.db2.gz HCXFMIBVJGUANI-AWEZNQCLSA-N 1 0 320.393 1.916 20 5 DDBDRO C[NH+](C)[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cn2)C12CCC2 ZINC000898834769 708883947 /nfs/dbraw/zinc/88/39/47/708883947.db2.gz IIVQRUBOMMLUMA-QWHCGFSZSA-N 1 0 304.350 1.592 20 5 DDBDRO O=C(N1CCc2ccc([N+](=O)[O-])cc21)[C@@]12CC[N@H+](C1)CCC2 ZINC000900099279 709288550 /nfs/dbraw/zinc/28/85/50/709288550.db2.gz OQCWYZXBUQQPBC-INIZCTEOSA-N 1 0 301.346 1.970 20 5 DDBDRO Cc1n[nH]c(C(=O)N2CCCC[C@@H]2[C@@H](C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000912811833 713098557 /nfs/dbraw/zinc/09/85/57/713098557.db2.gz ORXQGARZATYAPZ-CMPLNLGQSA-N 1 0 323.397 1.819 20 5 DDBDRO CNc1ccc(C(=O)N2CCC([NH+]3CCC3)CC2)cc1[N+](=O)[O-] ZINC000912883457 713113911 /nfs/dbraw/zinc/11/39/11/713113911.db2.gz CWABVRYZISCDLX-UHFFFAOYSA-N 1 0 318.377 1.947 20 5 DDBDRO CC[N@@H+]1CCCN(C(=O)c2ccnc(NC)c2[N+](=O)[O-])[C@H](C)C1 ZINC000910273648 709857346 /nfs/dbraw/zinc/85/73/46/709857346.db2.gz KBFMWMNHJHPGRK-LLVKDONJSA-N 1 0 321.381 1.588 20 5 DDBDRO COc1cc([N+](=O)[O-])cnc1N1CC[C@H](CN2CCOCC2)C1 ZINC000892678984 710480472 /nfs/dbraw/zinc/48/04/72/710480472.db2.gz AQCNVRMTYARDIT-GFCCVEGCSA-N 1 0 322.365 1.157 20 5 DDBDRO C[C@@]1(NC(=O)Cc2ccc([N+](=O)[O-])cc2)C[NH+]2CCC1CC2 ZINC000892798893 710501990 /nfs/dbraw/zinc/50/19/90/710501990.db2.gz FWBWQLAEMIJTPT-MRXNPFEDSA-N 1 0 303.362 1.738 20 5 DDBDRO C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000893069430 710550225 /nfs/dbraw/zinc/55/02/25/710550225.db2.gz STPVRIJJNJQWJF-AAEUAGOBSA-N 1 0 312.391 1.550 20 5 DDBDRO C[C@@H]1[C@H](NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC[N@@H+]1C ZINC000928445235 713199251 /nfs/dbraw/zinc/19/92/51/713199251.db2.gz PQLCXAPPUCZAIA-BXUZGUMPSA-N 1 0 316.361 1.758 20 5 DDBDRO COc1cc([C@H](C)[NH2+]C[C@@H](CO)[C@@H]2CCOC2)cc([N+](=O)[O-])c1 ZINC000903168220 711053285 /nfs/dbraw/zinc/05/32/85/711053285.db2.gz UWNIJWNYIBYSSL-SCRDCRAPSA-N 1 0 324.377 1.899 20 5 DDBDRO CC[C@H](CN1CCOCC1)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000903342254 711098097 /nfs/dbraw/zinc/09/80/97/711098097.db2.gz CJLYBYCXHVJGHR-GXTWGEPZSA-N 1 0 322.409 1.938 20 5 DDBDRO Cn1cnc(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000903350359 711100727 /nfs/dbraw/zinc/10/07/27/711100727.db2.gz AZQZNXUDPDRTJD-OLZOCXBDSA-N 1 0 304.354 1.798 20 5 DDBDRO CC[C@H]1[C@@H](CO)CC[N@@H+]1Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000894686699 711238502 /nfs/dbraw/zinc/23/85/02/711238502.db2.gz ARUBDDFGDXGKMP-NEPJUHHUSA-N 1 0 310.350 1.902 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC([NH+]2CCCC2)C1 ZINC000912328257 711281249 /nfs/dbraw/zinc/28/12/49/711281249.db2.gz ZVTIJZHLRZYWJW-UHFFFAOYSA-N 1 0 318.377 1.581 20 5 DDBDRO CN(CCOc1cccc([N+](=O)[O-])c1)C1(C[NH3+])CCOCC1 ZINC000903807697 711286696 /nfs/dbraw/zinc/28/66/96/711286696.db2.gz PRPURGICPODTHN-UHFFFAOYSA-N 1 0 309.366 1.413 20 5 DDBDRO C[NH+](C)C[C@@]1(O)CCN(c2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000895010910 711366553 /nfs/dbraw/zinc/36/65/53/711366553.db2.gz XXWILLVOUGEARS-INIZCTEOSA-N 1 0 316.361 1.646 20 5 DDBDRO C[C@@H](Nc1nc2sccn2c1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCN1C ZINC000895247163 711464873 /nfs/dbraw/zinc/46/48/73/711464873.db2.gz FEOHBFKRLSFPLT-ZJUUUORDSA-N 1 0 324.410 1.350 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@H](CC[NH+](C)C)C2)n1 ZINC000895325000 711484543 /nfs/dbraw/zinc/48/45/43/711484543.db2.gz MYDNOWYMDMKVPO-NSHDSACASA-N 1 0 322.365 1.554 20 5 DDBDRO CCC[N@@H+]1CC[C@H](NCc2ccc(O)c(OC)c2[N+](=O)[O-])C1 ZINC000895438343 711512646 /nfs/dbraw/zinc/51/26/46/711512646.db2.gz PFGYUVDKWMOPPQ-LBPRGKRZSA-N 1 0 309.366 1.883 20 5 DDBDRO Nc1ccc(N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)nc1[N+](=O)[O-] ZINC000895567626 711544689 /nfs/dbraw/zinc/54/46/89/711544689.db2.gz GFEKGOCBMAVIJC-GHMZBOCLSA-N 1 0 309.395 1.564 20 5 DDBDRO COc1c(O)ccc(C[NH2+][C@]23C[C@H]2COC3(C)C)c1[N+](=O)[O-] ZINC000895570387 711545530 /nfs/dbraw/zinc/54/55/30/711545530.db2.gz IYNCLUGUPUVTRC-ZUZCIYMTSA-N 1 0 308.334 1.966 20 5 DDBDRO C[C@@H]1[C@H](Nc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)CC[N@@H+]1C ZINC000895735151 711590138 /nfs/dbraw/zinc/59/01/38/711590138.db2.gz VFKUYKZQOAFIRI-QMTHXVAHSA-N 1 0 318.377 1.992 20 5 DDBDRO COC(=O)c1cc(C)nc(N[C@H]2CC[N@H+](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000895734801 711590248 /nfs/dbraw/zinc/59/02/48/711590248.db2.gz AUPOKUSTSAFVKI-KOLCDFICSA-N 1 0 308.338 1.589 20 5 DDBDRO Cc1cc(NCC[C@H]2CNC(=O)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000896134149 711680402 /nfs/dbraw/zinc/68/04/02/711680402.db2.gz LGMDAKIISKOSFW-LLVKDONJSA-N 1 0 314.345 1.811 20 5 DDBDRO CCOc1ccc(C(=O)NC23CC[NH+](CC2)C3)cc1[N+](=O)[O-] ZINC000913625449 713271382 /nfs/dbraw/zinc/27/13/82/713271382.db2.gz QCXJGKDLIDRJEG-UHFFFAOYSA-N 1 0 305.334 1.572 20 5 DDBDRO COCC[C@H]1C[NH2+]CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000904421116 711855919 /nfs/dbraw/zinc/85/59/19/711855919.db2.gz PANWJRCZHCJCCV-ZDUSSCGKSA-N 1 0 322.365 1.745 20 5 DDBDRO O=[N+]([O-])CC[NH2+]C[C@H](c1ccc(Cl)cc1)N1CCOCC1 ZINC000905070784 711927511 /nfs/dbraw/zinc/92/75/11/711927511.db2.gz MQIUWCYDRWRCIP-CQSZACIVSA-N 1 0 313.785 1.580 20 5 DDBDRO O=[N+]([O-])c1ccccc1CC[NH2+]C[C@@H](O)CCC1(O)CCC1 ZINC000905141043 711949209 /nfs/dbraw/zinc/94/92/09/711949209.db2.gz ZTRVVTHISGGFHI-AWEZNQCLSA-N 1 0 308.378 1.783 20 5 DDBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000906634117 712374789 /nfs/dbraw/zinc/37/47/89/712374789.db2.gz NVHGNRPXGPOVGH-WDEREUQCSA-N 1 0 321.402 1.998 20 5 DDBDRO C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C[C@@H]1[NH3+] ZINC000906635755 712375343 /nfs/dbraw/zinc/37/53/43/712375343.db2.gz NQJCGCNQDVOLFN-QZKOUSHUSA-N 1 0 303.362 1.894 20 5 DDBDRO CC[C@@H](CO)[NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000916570725 713458274 /nfs/dbraw/zinc/45/82/74/713458274.db2.gz PPIQLJCTRDHYDJ-VIFPVBQESA-N 1 0 301.730 1.547 20 5 DDBDRO O=C(NC1CC2(C1)CC([NH2+]CC1CCCC1)C2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000963789777 717907358 /nfs/dbraw/zinc/90/73/58/717907358.db2.gz ASGXHUYHJKZLAE-KDUKZITGSA-N 1 0 321.421 1.859 20 5 DDBDRO CCC[NH+]1CCC(NC(=O)Cn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000929409346 713604640 /nfs/dbraw/zinc/60/46/40/713604640.db2.gz ZVKIRCOJNJRBBH-UHFFFAOYSA-N 1 0 309.370 1.090 20 5 DDBDRO CCO[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])c(C)c1)C[NH+](C)C ZINC000930733011 713905954 /nfs/dbraw/zinc/90/59/54/713905954.db2.gz ZMUFCNRYRHPZHR-ZDUSSCGKSA-N 1 0 324.381 1.991 20 5 DDBDRO COC1(OC)CCOC[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000931670765 714157158 /nfs/dbraw/zinc/15/71/58/714157158.db2.gz PRTXPYHZDYDKIV-AWEZNQCLSA-N 1 0 310.350 1.505 20 5 DDBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]CCO[C@@H]1CCOC1)OCCO2 ZINC000922939438 714192737 /nfs/dbraw/zinc/19/27/37/714192737.db2.gz ORPYIOBRTALZMZ-GFCCVEGCSA-N 1 0 324.333 1.261 20 5 DDBDRO C[C@@H]([NH2+]C[C@@H](O)COC[C@@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000932180618 714280243 /nfs/dbraw/zinc/28/02/43/714280243.db2.gz ASLNBIVQSVQECH-WQVCFCJDSA-N 1 0 324.377 1.802 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000923263029 714288613 /nfs/dbraw/zinc/28/86/13/714288613.db2.gz GGCYRSHYPLOLQO-UONOGXRCSA-N 1 0 321.352 1.972 20 5 DDBDRO CCC[C@@H]1C[NH2+]CCN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000923330312 714317151 /nfs/dbraw/zinc/31/71/51/714317151.db2.gz BXFQPMJWRRXXIM-KGLIPLIRSA-N 1 0 323.393 1.408 20 5 DDBDRO C[C@@H]1C[NH2+][C@@H](C)[C@H](C)N1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000923441729 714356883 /nfs/dbraw/zinc/35/68/83/714356883.db2.gz JUMRJNMTTWHIRF-AGIUHOORSA-N 1 0 320.393 1.628 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)CN2CC[C@]3(C2)CCCC[NH2+]3)c1 ZINC000923531113 714392349 /nfs/dbraw/zinc/39/23/49/714392349.db2.gz PEUSBIICCFIRIQ-HOTGVXAUSA-N 1 0 305.378 1.846 20 5 DDBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)Cn1c(C)ncc1[N+](=O)[O-] ZINC000932757591 714406736 /nfs/dbraw/zinc/40/67/36/714406736.db2.gz WWLQRKQZPKEUGI-ZDUSSCGKSA-N 1 0 323.397 1.480 20 5 DDBDRO Cc1ccc(CNC(=O)N[C@H]2CC[N@H+](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000923910113 714488190 /nfs/dbraw/zinc/48/81/90/714488190.db2.gz JLDIKBRDZCQZHY-AAEUAGOBSA-N 1 0 306.366 1.795 20 5 DDBDRO C[N@@H+]1C[C@@H]2CN(CCOc3ccc([N+](=O)[O-])cc3)C[C@]2(C)C1 ZINC000933741794 714660280 /nfs/dbraw/zinc/66/02/80/714660280.db2.gz HYNAUHPOBDGTCC-CJNGLKHVSA-N 1 0 305.378 1.857 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CN[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925492478 714872412 /nfs/dbraw/zinc/87/24/12/714872412.db2.gz TWTZMMPHZVTKTN-RLTXXFFMSA-N 1 0 303.362 1.689 20 5 DDBDRO Cn1cc(C[N@@H+]2CCCC[C@H]([C@H]3CCOC3)C2)c([N+](=O)[O-])n1 ZINC000934832077 714912738 /nfs/dbraw/zinc/91/27/38/714912738.db2.gz NIFDRDMJQCTBSO-STQMWFEESA-N 1 0 308.382 1.967 20 5 DDBDRO C[NH+](C)C1CC(NC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000935829505 715131264 /nfs/dbraw/zinc/13/12/64/715131264.db2.gz JXBSFVVXJAOCJN-UZVIJOLCSA-N 1 0 303.362 1.907 20 5 DDBDRO C[N@@H+]1CCO[C@H]2CN(c3ccc4cccc([N+](=O)[O-])c4n3)C[C@H]21 ZINC001164664734 719389887 /nfs/dbraw/zinc/38/98/87/719389887.db2.gz COEQLDSSFIOBFM-KGLIPLIRSA-N 1 0 314.345 1.662 20 5 DDBDRO C[N@@H+]1CCO[C@@H]2CN(c3ccc4cccc([N+](=O)[O-])c4n3)C[C@H]21 ZINC001164664736 719390049 /nfs/dbraw/zinc/39/00/49/719390049.db2.gz COEQLDSSFIOBFM-ZIAGYGMSSA-N 1 0 314.345 1.662 20 5 DDBDRO C[N@@H+]1CCO[C@H]2CN(c3ccc4c(cccc4[N+](=O)[O-])n3)C[C@@H]21 ZINC001164666135 719391083 /nfs/dbraw/zinc/39/10/83/719391083.db2.gz JJVUPWXEAOJVJT-GJZGRUSLSA-N 1 0 314.345 1.662 20 5 DDBDRO COC(=O)c1cnc(N2CCC(C[NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000616176855 721944063 /nfs/dbraw/zinc/94/40/63/721944063.db2.gz BNNUJEAGDKZZNJ-UHFFFAOYSA-N 1 0 322.365 1.554 20 5 DDBDRO C[NH+](C)CC1CCN(c2cc([N+](=O)[O-])cc(Cl)[n+]2[O-])CC1 ZINC001165041537 721946755 /nfs/dbraw/zinc/94/67/55/721946755.db2.gz CCSAISVYAXPEHI-UHFFFAOYSA-N 1 0 314.773 1.660 20 5 DDBDRO COc1cccc([N+](=O)[O-])c1N[C@@H](C)[C@H]1C[N@H+](C)CCN1C ZINC001120959087 782257430 /nfs/dbraw/zinc/25/74/30/782257430.db2.gz FLZNAZYKKRXQIA-WCQYABFASA-N 1 0 308.382 1.650 20 5 DDBDRO CN(C[C@H]1CC1(C)C)c1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001167090943 732555665 /nfs/dbraw/zinc/55/56/65/732555665.db2.gz FYCBPZHFNZFTDS-LLVKDONJSA-N 1 0 320.397 1.277 20 5 DDBDRO O=[N+]([O-])c1ccnc(N2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)c1 ZINC001167205478 732825923 /nfs/dbraw/zinc/82/59/23/732825923.db2.gz IELJWRRGPRRQNF-PBHICJAKSA-N 1 0 310.357 1.967 20 5 DDBDRO Cc1ccc(CC[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cc1 ZINC001022063685 734368261 /nfs/dbraw/zinc/36/82/61/734368261.db2.gz GVZGLOHUHLOBMP-QKPAOTATSA-N 1 0 317.389 1.440 20 5 DDBDRO O=C(N[C@@H]1[C@H]2C[N@H+](CCC3=CCCCC3)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025775895 736853277 /nfs/dbraw/zinc/85/32/77/736853277.db2.gz PEWWXRGRSYTPRK-LJIZCISZSA-N 1 0 319.405 1.589 20 5 DDBDRO O=C1NCc2c1c([N+](=O)[O-])ccc2NCC[NH+]1CCSCC1 ZINC001167838480 738997499 /nfs/dbraw/zinc/99/74/99/738997499.db2.gz CBVTVPCVOAETSI-UHFFFAOYSA-N 1 0 322.390 1.299 20 5 DDBDRO COC(=O)c1ncc([N+](=O)[O-])c(C)c1NC(=N)SCC[NH3+] ZINC001167915053 739323847 /nfs/dbraw/zinc/32/38/47/739323847.db2.gz QKAHVQCMDXGZRQ-UHFFFAOYSA-N 1 0 313.339 1.123 20 5 DDBDRO O=C(CCc1ncc[nH]1)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001126437028 740112491 /nfs/dbraw/zinc/11/24/91/740112491.db2.gz SDRVVRISYZYSMY-UHFFFAOYSA-N 1 0 317.349 1.157 20 5 DDBDRO COC(=O)c1ncc([N+](=O)[O-])c(C)c1NCCCn1ccnc1 ZINC001161684446 740463246 /nfs/dbraw/zinc/46/32/46/740463246.db2.gz AZHRLRUECGGEOE-UHFFFAOYSA-N 1 0 319.321 1.784 20 5 DDBDRO COCC1(CC(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001126979221 743452362 /nfs/dbraw/zinc/45/23/62/743452362.db2.gz IMWJWHULBOUEDS-UHFFFAOYSA-N 1 0 321.377 1.617 20 5 DDBDRO CCOC(=O)c1cccc([N+](=O)[O-])c1-n1ccnc1C(N)=[NH2+] ZINC001168418028 744338053 /nfs/dbraw/zinc/33/80/53/744338053.db2.gz QQOIGCAOIMVZMI-UHFFFAOYSA-N 1 0 303.278 1.241 20 5 DDBDRO O=c1[nH]ccc(N2CC[NH2+][C@H](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC001187431270 744567808 /nfs/dbraw/zinc/56/78/08/744567808.db2.gz YRXVFYOONQJKDF-CYBMUJFWSA-N 1 0 314.345 1.716 20 5 DDBDRO CCN(CCNc1ccc([N+](=O)[O-])cn1)C(=O)C[NH+]1CCCC1 ZINC001106776987 746060596 /nfs/dbraw/zinc/06/05/96/746060596.db2.gz IQTPINFPWITOAU-UHFFFAOYSA-N 1 0 321.381 1.346 20 5 DDBDRO CC[C@@H](CNS(C)(=O)=O)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC001205876346 748078131 /nfs/dbraw/zinc/07/81/31/748078131.db2.gz SZSCSIHARQCMSO-LBPRGKRZSA-N 1 0 315.395 1.055 20 5 DDBDRO CN(CCCNC(=O)C[NH+]1CCCC1)c1ccc([N+](=O)[O-])cn1 ZINC001095560520 750039485 /nfs/dbraw/zinc/03/94/85/750039485.db2.gz LILVVTRHJGGCOQ-UHFFFAOYSA-N 1 0 321.381 1.028 20 5 DDBDRO CN(CCCNC(=O)CCC[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC001095721666 750167837 /nfs/dbraw/zinc/16/78/37/750167837.db2.gz SNJIBEVKCGZHEM-UHFFFAOYSA-N 1 0 322.409 1.879 20 5 DDBDRO CC(=O)NCC[NH+]1CCC(Nc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC001111309320 750443165 /nfs/dbraw/zinc/44/31/65/750443165.db2.gz JZVZFQUESRWENR-UHFFFAOYSA-N 1 0 320.393 1.916 20 5 DDBDRO O=C(NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ncccn1 ZINC001168942460 762135053 /nfs/dbraw/zinc/13/50/53/762135053.db2.gz JYMKIGJMNJNDEO-UHFFFAOYSA-N 1 0 315.333 1.295 20 5 DDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2ccc(-n3cccn3)nc2)C1 ZINC001168984878 762152355 /nfs/dbraw/zinc/15/23/55/762152355.db2.gz BCLXMCWQKYRIJC-JSGCOSHPSA-N 1 0 301.350 1.802 20 5 DDBDRO CS(=O)(=O)c1cccc(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001168965564 762157802 /nfs/dbraw/zinc/15/78/02/762157802.db2.gz ARDTWVWPNLZQDM-OLZOCXBDSA-N 1 0 312.391 1.625 20 5 DDBDRO [NH3+]CC1(N(Cc2ccccc2)[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)COC1 ZINC001168967189 762158339 /nfs/dbraw/zinc/15/83/39/762158339.db2.gz NZWNJWJCHKNPDA-HZPDHXFCSA-N 1 0 319.405 1.662 20 5 DDBDRO COC(=O)[C@H](O)[C@@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccccc1 ZINC001168967940 762158457 /nfs/dbraw/zinc/15/84/57/762158457.db2.gz UXQFWNCEXNIVTF-PMOUVXMZSA-N 1 0 322.361 1.297 20 5 DDBDRO O=C(NCCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1cccnn1 ZINC001169015780 762178500 /nfs/dbraw/zinc/17/85/00/762178500.db2.gz AEKJIJVWXABVLM-UHFFFAOYSA-N 1 0 315.333 1.295 20 5 DDBDRO N[C@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168986906 762179447 /nfs/dbraw/zinc/17/94/47/762179447.db2.gz FZMZSYHIGDIGKU-QZWWFDLISA-N 1 0 318.421 1.233 20 5 DDBDRO NC(=O)c1ccc(OCC[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1 ZINC001168988143 762180290 /nfs/dbraw/zinc/18/02/90/762180290.db2.gz OIKRBFYEXSNUIM-DGCLKSJQSA-N 1 0 307.350 1.199 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2C[C@H]3CN(c4ncccn4)C[C@H]3C2)C1 ZINC001169018398 762199173 /nfs/dbraw/zinc/19/91/73/762199173.db2.gz BDAIJUPTLOVRLH-APIJFGDWSA-N 1 0 317.393 1.290 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H](N(c2ncc(F)cn2)C2CC[NH2+]CC2)C1 ZINC001169048314 762205814 /nfs/dbraw/zinc/20/58/14/762205814.db2.gz UPCOGCBXHADBRZ-BXUZGUMPSA-N 1 0 323.372 1.620 20 5 DDBDRO COc1ncc([N+](=O)[O-])cc1N1CCCc2ccc(C[NH3+])nc21 ZINC001169591866 762526241 /nfs/dbraw/zinc/52/62/41/762526241.db2.gz APHBVHLHABDVES-UHFFFAOYSA-N 1 0 315.333 1.936 20 5 DDBDRO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2F)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001086082462 760941926 /nfs/dbraw/zinc/94/19/26/760941926.db2.gz PGMUUQOWGHFJKP-CQROYNQRSA-N 1 0 321.352 1.475 20 5 DDBDRO Nc1ncccc1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC001169933110 762758741 /nfs/dbraw/zinc/75/87/41/762758741.db2.gz HCPZUXBARPZUSG-UHFFFAOYSA-N 1 0 302.338 1.606 20 5 DDBDRO CCOC(=O)c1cccc([N+](=O)[O-])c1N[C@H](C)[C@@H]1C[NH2+]CCO1 ZINC001170570883 768192437 /nfs/dbraw/zinc/19/24/37/768192437.db2.gz LSHKMUOLIYAVPI-MFKMUULPSA-N 1 0 323.349 1.560 20 5 DDBDRO C[C@H](Nc1ncnc2sc([N+](=O)[O-])cc21)[C@H]1C[NH2+]CCO1 ZINC001170570925 768192157 /nfs/dbraw/zinc/19/21/57/768192157.db2.gz OLUSDMDTPCGNAC-IONNQARKSA-N 1 0 309.351 1.388 20 5 DDBDRO CCOC(=O)c1cc(N[C@@H](C)[C@@H]2C[NH2+]CCO2)ccc1[N+](=O)[O-] ZINC001170574706 768225537 /nfs/dbraw/zinc/22/55/37/768225537.db2.gz NYVKHNDMPGVFKD-HZMBPMFUSA-N 1 0 323.349 1.560 20 5 DDBDRO CC(C)[N@@H+]1CCc2c(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])cccc2C1 ZINC001051291251 764719017 /nfs/dbraw/zinc/71/90/17/764719017.db2.gz MLWGIYAOKKPXAJ-HZPDHXFCSA-N 1 0 317.389 1.735 20 5 DDBDRO CCN(CCCNC(=O)CC[NH+](C)C)c1ncccc1[N+](=O)[O-] ZINC001095956059 765072523 /nfs/dbraw/zinc/07/25/23/765072523.db2.gz NWNGNCBERUBPAC-UHFFFAOYSA-N 1 0 323.397 1.274 20 5 DDBDRO [NH3+]C[C@@]1(F)CCN(c2nc(Cl)nc(Cl)c2[N+](=O)[O-])C1 ZINC001157813012 766732868 /nfs/dbraw/zinc/73/28/68/766732868.db2.gz NXSBVJHTYPAARL-VIFPVBQESA-N 1 0 310.116 1.569 20 5 DDBDRO Cc1ncn(C)c1C(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001129959931 767073915 /nfs/dbraw/zinc/07/39/15/767073915.db2.gz RWYPDAFXRDQTRS-UHFFFAOYSA-N 1 0 323.378 1.218 20 5 DDBDRO O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1ccsn1 ZINC001130095983 767258631 /nfs/dbraw/zinc/25/86/31/767258631.db2.gz URWPYWASXUDYIA-UHFFFAOYSA-N 1 0 312.376 1.632 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1CNCCNC(=O)C1(C)CCCC1 ZINC001132003946 768555693 /nfs/dbraw/zinc/55/56/93/768555693.db2.gz HKHQSWUHGUTVIO-UHFFFAOYSA-N 1 0 309.370 1.114 20 5 DDBDRO COC(=O)c1nc(Cl)nc(-n2ccc(C[NH3+])c2)c1[N+](=O)[O-] ZINC001158764816 769447720 /nfs/dbraw/zinc/44/77/20/769447720.db2.gz VUPCVGJESOORCR-UHFFFAOYSA-N 1 0 311.685 1.074 20 5 DDBDRO Cc1ccn(CC(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)n1 ZINC001134002012 770536661 /nfs/dbraw/zinc/53/66/61/770536661.db2.gz DXCPNMJHFCYAHS-UHFFFAOYSA-N 1 0 323.378 1.067 20 5 DDBDRO CC1(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])CCOCC1 ZINC001135357160 771461144 /nfs/dbraw/zinc/46/11/44/771461144.db2.gz VRSLHELYYPHXHM-UHFFFAOYSA-N 1 0 321.377 1.617 20 5 DDBDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2cnc(N)c([N+](=O)[O-])c2)C1 ZINC001136452930 771971927 /nfs/dbraw/zinc/97/19/27/771971927.db2.gz OAZRPFVUHBUKLF-LLVKDONJSA-N 1 0 321.381 1.422 20 5 DDBDRO Nc1ncc(C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC001136459785 771974334 /nfs/dbraw/zinc/97/43/34/771974334.db2.gz HGPVOKCDTACSRF-GFCCVEGCSA-N 1 0 319.365 1.272 20 5 DDBDRO O=C(CCC[NH+]1CCCC1)NCCNc1ccc([N+](=O)[O-])cn1 ZINC001093670874 774985291 /nfs/dbraw/zinc/98/52/91/774985291.db2.gz JETCLFALKHEMPA-UHFFFAOYSA-N 1 0 321.381 1.394 20 5 DDBDRO Cc1ccnc(NCCNC(=O)C2([NH+](C)C)CCC2)c1[N+](=O)[O-] ZINC001093926455 775218429 /nfs/dbraw/zinc/21/84/29/775218429.db2.gz CFUAKKGPBVHHQR-UHFFFAOYSA-N 1 0 321.381 1.311 20 5 DDBDRO CC[NH+](CC)CC(=O)NCCN(C)c1nc(C)ccc1[N+](=O)[O-] ZINC001100125955 775711411 /nfs/dbraw/zinc/71/14/11/775711411.db2.gz XVVLXIUPAAOOIV-UHFFFAOYSA-N 1 0 323.397 1.192 20 5 DDBDRO C[N@H+](CC(=O)NCCCNc1ccccc1[N+](=O)[O-])C1CCC1 ZINC001094853849 776507358 /nfs/dbraw/zinc/50/73/58/776507358.db2.gz ZJSJWORONOVLBB-UHFFFAOYSA-N 1 0 320.393 1.997 20 5 DDBDRO O=C1C[C@@H]([NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCN1 ZINC001172900553 776915104 /nfs/dbraw/zinc/91/51/04/776915104.db2.gz VRQXPPSEEMCXBI-KBPBESRZSA-N 1 0 303.362 1.710 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@H]1COCC[C@@H]1O)CC2 ZINC001172902022 776915758 /nfs/dbraw/zinc/91/57/58/776915758.db2.gz TURCOSJGHRYYHP-KBMXLJTQSA-N 1 0 306.362 1.582 20 5 DDBDRO CN1C[C@H](C[NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1=O ZINC001172901179 776916248 /nfs/dbraw/zinc/91/62/48/776916248.db2.gz KJHLTDOHLGJESX-WFASDCNBSA-N 1 0 317.389 1.910 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C[C@H](O)CF)c1F ZINC001173181297 777035795 /nfs/dbraw/zinc/03/57/95/777035795.db2.gz CMFWIYMXNZEEAQ-DTWKUNHWSA-N 1 0 304.293 1.594 20 5 DDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001173218513 777050811 /nfs/dbraw/zinc/05/08/11/777050811.db2.gz PQXROFIHPUJPIJ-WCQYABFASA-N 1 0 312.391 1.550 20 5 DDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCO[C@@H](C[NH+](C)C)C1 ZINC001173221207 777053415 /nfs/dbraw/zinc/05/34/15/777053415.db2.gz GIQLIJCMEUEEAR-CJNGLKHVSA-N 1 0 307.394 1.788 20 5 DDBDRO COC(=O)[C@@H]1C[N@@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC001173231938 777063811 /nfs/dbraw/zinc/06/38/11/777063811.db2.gz PAVWENMSIMTQIQ-WFASDCNBSA-N 1 0 322.361 1.790 20 5 DDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CC(=O)N2CCC[C@@H]2C1 ZINC001173235333 777065136 /nfs/dbraw/zinc/06/51/36/777065136.db2.gz WEURANYEBVCLFG-SWLSCSKDSA-N 1 0 303.362 1.832 20 5 DDBDRO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC001116795035 780560317 /nfs/dbraw/zinc/56/03/17/780560317.db2.gz HKALMIWFCANDQI-WDEREUQCSA-N 1 0 308.338 1.298 20 5 DDBDRO COC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001117341061 780727539 /nfs/dbraw/zinc/72/75/39/780727539.db2.gz SMFVNOUKEFSWQF-VXGBXAGGSA-N 1 0 323.305 1.934 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC001120025414 781728750 /nfs/dbraw/zinc/72/87/50/781728750.db2.gz QYNNVCGHQIRUDO-TZMCWYRMSA-N 1 0 323.397 1.508 20 5 DDBDRO CC[N@H+](CCNC(=O)c1cnon1)Cc1cccc([N+](=O)[O-])c1 ZINC001266425527 836235495 /nfs/dbraw/zinc/23/54/95/836235495.db2.gz RSALXKZSJJBYGB-UHFFFAOYSA-N 1 0 319.321 1.230 20 5 DDBDRO CCN(CC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)c1ccon1 ZINC001268440702 840192835 /nfs/dbraw/zinc/19/28/35/840192835.db2.gz UOXWXXYHEMLHRF-UHFFFAOYSA-N 1 0 324.362 1.896 20 5 DDBDRO O=C(NC/C=C\CNCc1csc([N+](=O)[O-])c1)c1cocn1 ZINC001268523190 840380538 /nfs/dbraw/zinc/38/05/38/840380538.db2.gz PTUGCWPMPFSFQY-UPHRSURJSA-N 1 0 322.346 1.720 20 5 DDBDRO C[NH+](C)C[C@H]1COCCN1c1cc([N+](=O)[O-])c2cc[nH]c2n1 ZINC001154975693 861617120 /nfs/dbraw/zinc/61/71/20/861617120.db2.gz FNFVUZUDVMVZEB-JTQLQIEISA-N 1 0 305.338 1.238 20 5 DDBDRO COc1cc(C)nc(NCC[C@H]2CCOC23C[NH2+]C3)c1[N+](=O)[O-] ZINC001155478321 862137169 /nfs/dbraw/zinc/13/71/69/862137169.db2.gz SEHFSWAYCPLPJG-NSHDSACASA-N 1 0 322.365 1.487 20 5 DDBDRO O=[N+]([O-])c1c(Cl)ccnc1NCc1noc2c1C[NH2+]CC2 ZINC001155495428 862158119 /nfs/dbraw/zinc/15/81/19/862158119.db2.gz QAGUOXFXZUVWRZ-UHFFFAOYSA-N 1 0 309.713 1.889 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])c(NCc2noc3c2C[NH2+]CC3)n1 ZINC001155497086 862159597 /nfs/dbraw/zinc/15/95/97/862159597.db2.gz FDHGQNSQCYVMRO-UHFFFAOYSA-N 1 0 303.322 1.852 20 5 DDBDRO C[NH+](C)CCN(C(=O)c1c[nH]nc1[N+](=O)[O-])C1CCCCC1 ZINC001327456030 862188590 /nfs/dbraw/zinc/18/85/90/862188590.db2.gz VJCWNRZJUQVHBG-UHFFFAOYSA-N 1 0 309.370 1.654 20 5 DDBDRO CN(CCC[N@H+](C)Cc1ccccc1F)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001273508315 851042378 /nfs/dbraw/zinc/04/23/78/851042378.db2.gz ZOCXPWPZYRTVQU-UKRRQHHQSA-N 1 0 323.368 1.771 20 5 DDBDRO O=C1C[C@H]2[NH2+]CC[C@]2(Nc2ccc3ccc4cccnc4c3n2)N1 ZINC001155571842 862239081 /nfs/dbraw/zinc/23/90/81/862239081.db2.gz UNHPSGOGMWDPIK-ACJLOTCBSA-N 1 0 319.368 1.773 20 5 DDBDRO Cc1cc(N(CC[NH3+])CCO)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001155953157 862590534 /nfs/dbraw/zinc/59/05/34/862590534.db2.gz HNCDAGJJNDLYKZ-UHFFFAOYSA-N 1 0 317.349 1.118 20 5 DDBDRO Nc1cc(N2CC[NH2+]C[C@@H]2c2cccs2)ncc1[N+](=O)[O-] ZINC001156098043 862718968 /nfs/dbraw/zinc/71/89/68/862718968.db2.gz NJZDBEJXTHIBHO-LLVKDONJSA-N 1 0 305.363 1.784 20 5 DDBDRO COc1nc(NCC2([NH+](C)C)CCN(C)CC2)ccc1[N+](=O)[O-] ZINC001156176058 862776657 /nfs/dbraw/zinc/77/66/57/862776657.db2.gz JDCRNDMPQIGGFA-UHFFFAOYSA-N 1 0 323.397 1.436 20 5 DDBDRO C[NH2+][C@@H](C)CCNS(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC001328386593 862943149 /nfs/dbraw/zinc/94/31/49/862943149.db2.gz FVTJLXWHUYKCQI-NSHDSACASA-N 1 0 315.395 1.488 20 5 DDBDRO O=C(NCC1=CC[NH2+]CC1)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001121932317 858638457 /nfs/dbraw/zinc/63/84/57/858638457.db2.gz GZZLVOBUGVTWSI-CABCVRRESA-N 1 0 301.346 1.734 20 5 DDBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)[C@]12C[C@H]1CCC[NH2+]2 ZINC001121954290 858644039 /nfs/dbraw/zinc/64/40/39/858644039.db2.gz OMZCKOHVXHXPFO-ABAIWWIYSA-N 1 0 305.334 1.232 20 5 DDBDRO [NH3+][C@@H]1CN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])CC[C@H]1F ZINC001122076818 858678831 /nfs/dbraw/zinc/67/88/31/858678831.db2.gz HDUSVDKGNJMIQC-VXGBXAGGSA-N 1 0 313.304 1.564 20 5 DDBDRO Cc1c(CC(=O)NCC[C@@H]2CSCC[NH2+]2)cccc1[N+](=O)[O-] ZINC001122083310 858680440 /nfs/dbraw/zinc/68/04/40/858680440.db2.gz QIEHBSMNIKUACP-CYBMUJFWSA-N 1 0 323.418 1.657 20 5 DDBDRO Cc1nn(CCC(=O)N2[C@H](C)C[NH2+][C@H](C)[C@H]2C)c(C)c1[N+](=O)[O-] ZINC001122182499 858705189 /nfs/dbraw/zinc/70/51/89/858705189.db2.gz VUIGWRZUCTXQQV-CKYFFXLPSA-N 1 0 323.397 1.396 20 5 DDBDRO COCCCC(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001124089146 859571167 /nfs/dbraw/zinc/57/11/67/859571167.db2.gz VCUVUPZLFLJRNK-UHFFFAOYSA-N 1 0 301.368 1.289 20 5 DDBDRO CC[N@@H+]1CC[C@H](CNC(=O)Nc2c(C)cncc2[N+](=O)[O-])C1 ZINC001203061435 860685988 /nfs/dbraw/zinc/68/59/88/860685988.db2.gz OAVJTOQLHCUIBC-LLVKDONJSA-N 1 0 307.354 1.183 20 5 DDBDRO COC(=O)C1(Nc2nccc(Cl)c2[N+](=O)[O-])CC[NH2+]CC1 ZINC001156529440 863123823 /nfs/dbraw/zinc/12/38/23/863123823.db2.gz SBLNTLQIDOIMGA-UHFFFAOYSA-N 1 0 314.729 1.350 20 5 DDBDRO C[C@@H]1CN(c2cc([N+](=O)[O-])cc3c(Cl)ncnc32)CC[NH2+]1 ZINC001156704629 863276660 /nfs/dbraw/zinc/27/66/60/863276660.db2.gz LYQZEQGWEJNBHA-MRVPVSSYSA-N 1 0 307.741 1.990 20 5 DDBDRO C[NH+](C)CCONC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC001329295395 863583270 /nfs/dbraw/zinc/58/32/70/863583270.db2.gz IMVCGERUMQZHMP-UHFFFAOYSA-N 1 0 308.338 1.392 20 5 DDBDRO O=[N+]([O-])c1cc(-c2ccc(N3C[C@@H]4C[NH2+][C@@H]4C3)nn2)ccc1F ZINC001157623756 863987146 /nfs/dbraw/zinc/98/71/46/863987146.db2.gz HPMAYYQICCHDFB-GXFFZTMASA-N 1 0 315.308 1.599 20 5 DDBDRO CCOC(=O)C1(Nc2ncc([N+](=O)[O-])cc2N)CC[NH+](C)CC1 ZINC001158570489 864735640 /nfs/dbraw/zinc/73/56/40/864735640.db2.gz KDKFKFCIXUIHJV-UHFFFAOYSA-N 1 0 323.353 1.011 20 5 DDBDRO CO[C@@H]1CN(c2nc(Cl)cc(Cl)c2[N+](=O)[O-])C[C@@H]1[NH3+] ZINC001158705726 864828710 /nfs/dbraw/zinc/82/87/10/864828710.db2.gz UWLLTPOHOCXRPS-NKWVEPMBSA-N 1 0 307.137 1.459 20 5 DDBDRO CO[C@@H]1CN(c2cc3ncnc(Cl)c3cc2[N+](=O)[O-])C[C@@H]1[NH3+] ZINC001158705241 864828969 /nfs/dbraw/zinc/82/89/69/864828969.db2.gz FJDVOWPJMIRCJV-QPUJVOFHSA-N 1 0 323.740 1.354 20 5 DDBDRO CSc1nc(Cl)nc(NC[C@@H]2COCC[NH2+]2)c1[N+](=O)[O-] ZINC001159044380 865068675 /nfs/dbraw/zinc/06/86/75/865068675.db2.gz WBDLVCUTBUUBHV-ZCFIWIBFSA-N 1 0 319.774 1.160 20 5 DDBDRO CSc1nc(Cl)nc(NCCN(C)CC[NH3+])c1[N+](=O)[O-] ZINC001159439820 865294640 /nfs/dbraw/zinc/29/46/40/865294640.db2.gz ZQIFFPIPOFYVKS-UHFFFAOYSA-N 1 0 320.806 1.063 20 5 DDBDRO C[C@@H](Nc1ccc2c(cccc2[N+](=O)[O-])n1)[C@@H]1C[NH2+]CCO1 ZINC001159500682 865357903 /nfs/dbraw/zinc/35/79/03/865357903.db2.gz XBXPAYNVFKJOAW-YGRLFVJLSA-N 1 0 302.334 1.932 20 5 DDBDRO CCOC(=O)CN(CC[NH3+])c1ccc2cccc([N+](=O)[O-])c2n1 ZINC001159863989 865567431 /nfs/dbraw/zinc/56/74/31/865567431.db2.gz ILAJIXSEOLNCQS-UHFFFAOYSA-N 1 0 318.333 1.471 20 5 DDBDRO C[C@@H]1[C@H](NC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)CC[N@@H+]1C ZINC001332403322 865817118 /nfs/dbraw/zinc/81/71/18/865817118.db2.gz PVVNHMYDBNDLAQ-QMTHXVAHSA-N 1 0 304.350 1.713 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCOCCCO)CC2)cc1 ZINC001323560805 866689183 /nfs/dbraw/zinc/68/91/83/866689183.db2.gz KCMVTFKIRZNEEL-UHFFFAOYSA-N 1 0 323.393 1.552 20 5 DDBDRO C[NH+](C)[C@@H]1CCCC[C@@H]1Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC001333699513 866948221 /nfs/dbraw/zinc/94/82/21/866948221.db2.gz KHYSQFJGCNWJPM-GXTWGEPZSA-N 1 0 306.366 1.978 20 5 DDBDRO C[C@H]1CC[N@H+](CCNC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001333874572 867101396 /nfs/dbraw/zinc/10/13/96/867101396.db2.gz BCYJXLWQOYJSRJ-LBPRGKRZSA-N 1 0 318.377 1.962 20 5 DDBDRO COC(=O)c1ccc(C[NH3+])n1-c1ncc(Cl)cc1[N+](=O)[O-] ZINC001161935330 867113873 /nfs/dbraw/zinc/11/38/73/867113873.db2.gz XZELCCBJFZSDIT-UHFFFAOYSA-N 1 0 310.697 1.679 20 5 DDBDRO COC(=O)Cc1ccc(NC[C@@H]2C[C@H](F)C[NH2+]2)cc1[N+](=O)[O-] ZINC001162478166 867562034 /nfs/dbraw/zinc/56/20/34/867562034.db2.gz WSYQKMPLFVALCC-JQWIXIFHSA-N 1 0 311.313 1.422 20 5 DDBDRO CN1CCc2c(NC[C@@H]3C[C@H](F)C[NH2+]3)ccc([N+](=O)[O-])c2C1 ZINC001162481165 867564615 /nfs/dbraw/zinc/56/46/15/867564615.db2.gz KKUDCEIULRIUEX-QWRGUYRKSA-N 1 0 308.357 1.695 20 5 DDBDRO O=[N+]([O-])c1ncccc1NC[C@H]1CCC2(CC[NH2+]CC2)CO1 ZINC001162964993 867953754 /nfs/dbraw/zinc/95/37/54/867953754.db2.gz DXCSCRGFDGEXAJ-GFCCVEGCSA-N 1 0 306.366 1.951 20 5 DDBDRO COc1ccnc(NCc2noc3c2C[NH2+]CC3)c1[N+](=O)[O-] ZINC001163126740 868130259 /nfs/dbraw/zinc/13/02/59/868130259.db2.gz XSEWOHNEFGNLDY-UHFFFAOYSA-N 1 0 305.294 1.244 20 5 DDBDRO O=[N+]([O-])c1c2[nH]cnc2ccc1NC[C@]12C[NH2+]C[C@H]1COC2 ZINC001163159181 868171108 /nfs/dbraw/zinc/17/11/08/868171108.db2.gz WGYVNZCTAXWSII-XPTSAGLGSA-N 1 0 303.322 1.119 20 5 DDBDRO O=[N+]([O-])c1cc[n+]([O-])cc1N[C@@H]1CC[NH2+][C@H]1c1ccccc1 ZINC001163216052 868221587 /nfs/dbraw/zinc/22/15/87/868221587.db2.gz WXGGBSBLRMPNIL-DOMZBBRYSA-N 1 0 300.318 1.743 20 5 DDBDRO CC(C)(C)c1cnc(N[C@@]23CC[NH2+][C@H]2CC(=O)N3)c([N+](=O)[O-])c1 ZINC001163234724 868238167 /nfs/dbraw/zinc/23/81/67/868238167.db2.gz BMKFITFDDJVYRH-NHYWBVRUSA-N 1 0 319.365 1.277 20 5 DDBDRO O=C1C[C@H]2[NH2+]CC[C@]2(Nc2cc3cccnc3c3ncccc23)N1 ZINC001163254552 868265984 /nfs/dbraw/zinc/26/59/84/868265984.db2.gz SLDOTIKCQQLESQ-KDOFPFPSSA-N 1 0 319.368 1.773 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CC(O)(C2CC2)C2CC2)cc1 ZINC001335440669 868297420 /nfs/dbraw/zinc/29/74/20/868297420.db2.gz MZEDSRBGSNNYDS-OAHLLOKOSA-N 1 0 306.362 1.769 20 5 DDBDRO Cc1cc(NC[C@H]2CO[C@]3(C2)CCC[NH2+]C3)ncc1[N+](=O)[O-] ZINC001163279386 868302592 /nfs/dbraw/zinc/30/25/92/868302592.db2.gz MFVICTRVFHYPKD-WFASDCNBSA-N 1 0 306.366 1.869 20 5 DDBDRO C[C@@H](NC(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1ccc([N+](=O)[O-])cc1 ZINC001336194595 868781599 /nfs/dbraw/zinc/78/15/99/868781599.db2.gz ZDUIRHGDLWJNSW-QEGRKFQGSA-N 1 0 304.350 1.848 20 5 DDBDRO O=[N+]([O-])c1cnc(NCc2cccnc2C2CC[NH2+]CC2)nc1 ZINC001163905788 868781669 /nfs/dbraw/zinc/78/16/69/868781669.db2.gz UXAQBPDENQYFOX-UHFFFAOYSA-N 1 0 314.349 1.859 20 5 DDBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N1CCC[C@@]12CC[NH2+]C2 ZINC001336861344 869187546 /nfs/dbraw/zinc/18/75/46/869187546.db2.gz ZPXVLFHRWJXAHK-INIZCTEOSA-N 1 0 318.377 1.675 20 5 DDBDRO C[C@@H](CNC(=O)NCC1=CC[NH2+]CC1)c1ccccc1[N+](=O)[O-] ZINC001336896488 869204627 /nfs/dbraw/zinc/20/46/27/869204627.db2.gz KZYYXGDOGNWSNU-LBPRGKRZSA-N 1 0 318.377 1.917 20 5 DDBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2C[C@@H](C[NH3+])CC[C@@H]2C)n1 ZINC001164473850 869218918 /nfs/dbraw/zinc/21/89/18/869218918.db2.gz KBQXLNCUXGCNHZ-GZMMTYOYSA-N 1 0 322.369 1.215 20 5 DDBDRO CC1([NH+]2CCOCC2)CCN(c2cc([N+](=O)[O-])ccn2)CC1 ZINC001165131683 869401224 /nfs/dbraw/zinc/40/12/24/869401224.db2.gz LSMVKGILQOIUBP-UHFFFAOYSA-N 1 0 306.366 1.681 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[N@H+](C(C)C)[C@H](C)C2)n1 ZINC001165201865 869424862 /nfs/dbraw/zinc/42/48/62/869424862.db2.gz QZWFQTZACODGBH-LLVKDONJSA-N 1 0 322.365 1.695 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC([N@@H+](C)[C@@H]3CCOC3)C2)n1 ZINC001165205841 869431583 /nfs/dbraw/zinc/43/15/83/869431583.db2.gz UJFJTIOBIQDIGN-GFCCVEGCSA-N 1 0 306.366 1.516 20 5 DDBDRO C[N@@H+]1CCCC[C@H]1CNC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC001337533174 869528053 /nfs/dbraw/zinc/52/80/53/869528053.db2.gz AWCYICGDJKFHPU-LBPRGKRZSA-N 1 0 309.341 1.877 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1CCCC[C@@H]1[NH+](C)C ZINC001338826694 870189147 /nfs/dbraw/zinc/18/91/47/870189147.db2.gz ZZAIGIFUQBNWAN-OLZOCXBDSA-N 1 0 323.397 1.479 20 5 DDBDRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@@H](C)[N+](=O)[O-])n2CC)C1 ZINC001339468484 870511320 /nfs/dbraw/zinc/51/13/20/870511320.db2.gz VPCCTRLFFYPMPB-OLZOCXBDSA-N 1 0 324.429 1.804 20 5 DDBDRO COc1ccc(CNC(=O)C2=CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC001339861876 870742877 /nfs/dbraw/zinc/74/28/77/870742877.db2.gz PORHATUUJOJQQE-UHFFFAOYSA-N 1 0 305.334 1.529 20 5 DDBDRO O=C(N1Cc2ccc([N+](=O)[O-])cc2C1)[C@]12C[NH2+]C[C@H]1CCOC2 ZINC001339984628 870822760 /nfs/dbraw/zinc/82/27/60/870822760.db2.gz DAEZKMOKNDULQE-CJNGLKHVSA-N 1 0 317.345 1.063 20 5 DDBDRO C[N@@H+]1C[C@@H]2CC[C@@H](Nc3ccc([N+](=O)[O-])c4nonc43)[C@H]2C1 ZINC001339997593 870829183 /nfs/dbraw/zinc/82/91/83/870829183.db2.gz DRMXPZKIRXRUST-LPEHRKFASA-N 1 0 303.322 1.883 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cc(=O)[nH]c2ccccc21 ZINC001226493206 882463419 /nfs/dbraw/zinc/46/34/19/882463419.db2.gz XVGVOVSEHHQUBF-LLVKDONJSA-O 1 0 305.354 1.303 20 5 DDBDRO Cc1nccn1CC(=O)N[C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC001302425864 871067665 /nfs/dbraw/zinc/06/76/65/871067665.db2.gz SWOPVFVRPZXEAB-HNNXBMFYSA-N 1 0 318.333 1.124 20 5 DDBDRO O=C([C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001340750069 871329836 /nfs/dbraw/zinc/32/98/36/871329836.db2.gz CQUHVITWOYEMDT-AYRXBEOTSA-N 1 0 301.346 1.661 20 5 DDBDRO Cc1ccc(CNC(=O)CCSCCC[NH3+])cc1[N+](=O)[O-] ZINC001340912402 871421965 /nfs/dbraw/zinc/42/19/65/871421965.db2.gz MHCFCMQDTIQSJA-UHFFFAOYSA-N 1 0 311.407 1.992 20 5 DDBDRO CCn1c(C[N+](=O)[O-])nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001340993642 871458130 /nfs/dbraw/zinc/45/81/30/871458130.db2.gz RWYBQILFINSZAC-UHFFFAOYSA-N 1 0 324.429 1.633 20 5 DDBDRO CCc1ccc(C(=O)NCC[C@H]2CSCC[NH2+]2)cc1[N+](=O)[O-] ZINC001341161442 871535295 /nfs/dbraw/zinc/53/52/95/871535295.db2.gz BWMVRXLCYUFVDZ-ZDUSSCGKSA-N 1 0 323.418 1.982 20 5 DDBDRO COc1cc(C(=O)N2CCC[C@H]3CC[C@@]32C[NH3+])ccc1[N+](=O)[O-] ZINC001341439522 871660143 /nfs/dbraw/zinc/66/01/43/871660143.db2.gz IWVNQNBPNVFXKN-BLLLJJGKSA-N 1 0 319.361 1.947 20 5 DDBDRO CNc1ccc(C(=O)N2[C@H](C)C[NH2+][C@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC001341769582 871817655 /nfs/dbraw/zinc/81/76/55/871817655.db2.gz ZVXBVUKNMQYLBK-GMTAPVOTSA-N 1 0 306.366 1.847 20 5 DDBDRO CC[C@H](CNS(C)(=O)=O)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC001205876343 871883604 /nfs/dbraw/zinc/88/36/04/871883604.db2.gz SZSCSIHARQCMSO-GFCCVEGCSA-N 1 0 315.395 1.055 20 5 DDBDRO O=C(N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001342186779 872058343 /nfs/dbraw/zinc/05/83/43/872058343.db2.gz HBQHYRFJYWFRFQ-URWOTSEESA-N 1 0 301.346 1.707 20 5 DDBDRO [NH3+][C@@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])C[C@H]1C(F)(F)F ZINC001342556379 872264858 /nfs/dbraw/zinc/26/48/58/872264858.db2.gz XOFFIPNHSDOCLX-NXEZZACHSA-N 1 0 317.267 1.485 20 5 DDBDRO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC001342943603 872446174 /nfs/dbraw/zinc/44/61/74/872446174.db2.gz LUMWDCGJEGXOAB-ADEWGFFLSA-N 1 0 301.302 1.964 20 5 DDBDRO C[C@H]([NH2+]CCN1CCC(CO)CC1)c1ccc([N+](=O)[O-])cc1 ZINC001319397095 872609285 /nfs/dbraw/zinc/60/92/85/872609285.db2.gz HBSMPWUQVSSIHK-ZDUSSCGKSA-N 1 0 307.394 1.950 20 5 DDBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC001343673768 872711635 /nfs/dbraw/zinc/71/16/35/872711635.db2.gz QJSOQBSHWNWCIZ-JTQLQIEISA-N 1 0 311.363 1.035 20 5 DDBDRO [NH3+]CC[C@H]1CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC001345001122 873215186 /nfs/dbraw/zinc/21/51/86/873215186.db2.gz YRMOUXDBZDLORB-LBPRGKRZSA-N 1 0 307.350 1.561 20 5 DDBDRO O=[N+]([O-])Cc1nnc(N2CC[NH+](C3CCC3)CC2)n1CC1CC1 ZINC001345150652 873275551 /nfs/dbraw/zinc/27/55/51/873275551.db2.gz HXMYSVFQUMGECG-UHFFFAOYSA-N 1 0 320.397 1.139 20 5 DDBDRO COC[C@H]1C[NH2+]CCN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC001345647016 873464001 /nfs/dbraw/zinc/46/40/01/873464001.db2.gz ODQWRSATXVVFRJ-SNVBAGLBSA-N 1 0 313.741 1.309 20 5 DDBDRO CCN(C(=O)COc1ccccc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC001346547881 873797970 /nfs/dbraw/zinc/79/79/70/873797970.db2.gz FDXAEVXZZMMKFY-LBPRGKRZSA-N 1 0 307.350 1.574 20 5 DDBDRO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cc(F)ccc3[N+](=O)[O-])[C@@H]2C1 ZINC001347539443 874179604 /nfs/dbraw/zinc/17/96/04/874179604.db2.gz KYJTWLVQHSFMKV-ZWKOPEQDSA-N 1 0 307.325 1.804 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC001349608481 875261602 /nfs/dbraw/zinc/26/16/02/875261602.db2.gz NFKGEKOLUUCFCO-UHFFFAOYSA-N 1 0 305.334 1.026 20 5 DDBDRO CCn1c([C@@H](C)[N+](=O)[O-])nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001356351070 879008844 /nfs/dbraw/zinc/00/88/44/879008844.db2.gz HLRKSDJGSALRBD-CHWSQXEVSA-N 1 0 322.413 1.700 20 5 DDBDRO C[C@H](NC(=O)N[C@@H]1C[NH2+]CC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC001357667805 880126190 /nfs/dbraw/zinc/12/61/90/880126190.db2.gz HOINOKLADVFEFF-GXFFZTMASA-N 1 0 306.366 1.953 20 5 DDBDRO O=C(N[C@H]1C[NH2+]CC2(CCOCC2)C1)c1ccccc1[N+](=O)[O-] ZINC001358081525 880318552 /nfs/dbraw/zinc/31/85/52/880318552.db2.gz PIFSOBUYNSBMMY-GFCCVEGCSA-N 1 0 319.361 1.483 20 5 DDBDRO C[NH2+]C[C@@H]1CCCCN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC001358119194 880337666 /nfs/dbraw/zinc/33/76/66/880337666.db2.gz KSAYUEDVURHTBH-LBPRGKRZSA-N 1 0 307.350 1.574 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])ccc1CO[C@@H]1C[NH+]2CCC1CC2 ZINC001223448972 880967195 /nfs/dbraw/zinc/96/71/95/880967195.db2.gz UUSJFPHCQYUSHU-OAHLLOKOSA-N 1 0 320.345 1.992 20 5 DDBDRO C[N@@H+]1CCC[C@@H](Oc2[nH]c(=O)nc3cc([N+](=O)[O-])ccc32)C1 ZINC001228242707 883404130 /nfs/dbraw/zinc/40/41/30/883404130.db2.gz RDCYPXLCQHTGFP-SNVBAGLBSA-N 1 0 304.306 1.717 20 5 DDBDRO CO[C@@H]1CC[N@H+](CCOc2cc(F)c([N+](=O)[O-])c(F)c2)C1 ZINC001233754484 887280470 /nfs/dbraw/zinc/28/04/70/887280470.db2.gz VDSCBRWLCWWTOF-SECBINFHSA-N 1 0 302.277 1.973 20 5 DDBDRO C[N@H+](CC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)[C@@H]1CCSC1 ZINC001253838971 896134911 /nfs/dbraw/zinc/13/49/11/896134911.db2.gz RIVOTMJYKWWPTQ-CQSZACIVSA-N 1 0 321.402 1.874 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]CC1CCS(=O)(=O)CC1)C2 ZINC001254574450 896508513 /nfs/dbraw/zinc/50/85/13/896508513.db2.gz HKHQEDQOEVHYNP-CQSZACIVSA-N 1 0 324.402 1.476 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]CCN1CCC[C@@H](O)C1)C2 ZINC001254580953 896512668 /nfs/dbraw/zinc/51/26/68/896512668.db2.gz IQZIFPXZIJQCCN-GDBMZVCRSA-N 1 0 305.378 1.108 20 5 DDBDRO COc1cc(N2CCC([NH2+]C3(CO)CC3)CC2)ccc1[N+](=O)[O-] ZINC001256087170 897277432 /nfs/dbraw/zinc/27/74/32/897277432.db2.gz QXHFYACZBOVXMB-UHFFFAOYSA-N 1 0 321.377 1.687 20 5 DDBDRO COc1cc(N2CCC([NH2+][C@@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC001256083284 897278370 /nfs/dbraw/zinc/27/83/70/897278370.db2.gz OHARZCZUXDMTII-CYBMUJFWSA-N 1 0 321.377 1.951 20 5 DDBDRO C[C@@H]1C[NH2+][C@@H](C)[C@@H](C)N1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC001263202030 900530632 /nfs/dbraw/zinc/53/06/32/900530632.db2.gz QGIIAOGPNKBQOE-GRYCIOLGSA-N 1 0 307.350 1.571 20 5 DDBDRO O=C(NCC1CC[NH+](C2CC2)CC1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000278248891 214045888 /nfs/dbraw/zinc/04/58/88/214045888.db2.gz OVHVYLDVVAJKCR-UHFFFAOYSA-N 1 0 320.349 1.300 20 5 DDBDRO C[C@H](C[NH+]1CCN(C)CC1)Nc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278590840 214259861 /nfs/dbraw/zinc/25/98/61/214259861.db2.gz YWZGFEMHFIVVOZ-LLVKDONJSA-N 1 0 318.381 1.519 20 5 DDBDRO C[C@@H](C[NH+](C)C)NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000286560963 219055607 /nfs/dbraw/zinc/05/56/07/219055607.db2.gz DGIMRGGSASZLPN-NSHDSACASA-N 1 0 315.395 1.007 20 5 DDBDRO C[C@@]12C[N@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000451378524 231082052 /nfs/dbraw/zinc/08/20/52/231082052.db2.gz YCSRAVJDXLUOAI-IPQWEPCOSA-N 1 0 318.377 1.296 20 5 DDBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2C[C@H](O)C[C@H]2[C@@H]2CCCOC2)cc1 ZINC000451306467 231063130 /nfs/dbraw/zinc/06/31/30/231063130.db2.gz YHKCGJXGGUVPCI-OIISXLGYSA-N 1 0 320.389 1.999 20 5 DDBDRO COC[C@@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000452035170 231276920 /nfs/dbraw/zinc/27/69/20/231276920.db2.gz GDRVOODIDLLGDF-UONOGXRCSA-N 1 0 324.377 1.835 20 5 DDBDRO CC[NH2+]CCCNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000563622893 303965947 /nfs/dbraw/zinc/96/59/47/303965947.db2.gz JQKFPWWLFFLXJS-UHFFFAOYSA-N 1 0 317.349 1.510 20 5 DDBDRO CN(CC(=O)NCC1=CC[NH2+]CC1)c1ccccc1[N+](=O)[O-] ZINC000186374046 282354474 /nfs/dbraw/zinc/35/44/74/282354474.db2.gz YVYGCPNXYOTDFN-UHFFFAOYSA-N 1 0 304.350 1.067 20 5 DDBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000294909810 530057404 /nfs/dbraw/zinc/05/74/04/530057404.db2.gz ISZNDJHFPILPBG-CQSZACIVSA-N 1 0 319.361 1.768 20 5 DDBDRO Cc1c(CC(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000330790439 232070571 /nfs/dbraw/zinc/07/05/71/232070571.db2.gz SPHCKBAVWPRXFB-TXEJJXNPSA-N 1 0 305.378 1.997 20 5 DDBDRO NC(=O)C[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)C1CCCCC1 ZINC000182005883 199373305 /nfs/dbraw/zinc/37/33/05/199373305.db2.gz BMEPMTRRVZXLQO-LBPRGKRZSA-N 1 0 309.370 1.205 20 5 DDBDRO CC[C@]1([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCOC1 ZINC000616866187 362853832 /nfs/dbraw/zinc/85/38/32/362853832.db2.gz URWPUUWDORTDAA-ZFWWWQNUSA-N 1 0 310.350 1.493 20 5 DDBDRO C[NH+](C)[C@H]1CCCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC1 ZINC000331403020 233324725 /nfs/dbraw/zinc/32/47/25/233324725.db2.gz DMOFICIURZMJBU-LBPRGKRZSA-N 1 0 323.397 1.469 20 5 DDBDRO C[NH+](C)C[C@@](C)(O)CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000152669634 186095720 /nfs/dbraw/zinc/09/57/20/186095720.db2.gz JNCJXLRAQXQKAQ-HNNXBMFYSA-N 1 0 320.349 1.119 20 5 DDBDRO COC1(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC[NH2+]CC1 ZINC000152757782 186099408 /nfs/dbraw/zinc/09/94/08/186099408.db2.gz KUXFLJAWLXRIMQ-UHFFFAOYSA-N 1 0 307.350 1.022 20 5 DDBDRO Cc1c(C(=O)N[C@@H](C)C[NH+](C)C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000287185034 219365746 /nfs/dbraw/zinc/36/57/46/219365746.db2.gz LWGXAFAJTOJBME-QMMMGPOBSA-N 1 0 324.337 1.800 20 5 DDBDRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000262860207 186314822 /nfs/dbraw/zinc/31/48/22/186314822.db2.gz UASAKRAJDZKKHN-TVQRCGJNSA-N 1 0 311.769 1.905 20 5 DDBDRO Cc1nn(CCC(=O)N[C@H](C)CCCC[NH3+])c(C)c1[N+](=O)[O-] ZINC000292079665 222827211 /nfs/dbraw/zinc/82/72/11/222827211.db2.gz LYJRIKRHQLBGFO-SNVBAGLBSA-N 1 0 311.386 1.432 20 5 DDBDRO O=C(NC1CC[NH+](CC2CCCC2)CC1)c1cc([N+](=O)[O-])n[nH]1 ZINC000331827175 234168045 /nfs/dbraw/zinc/16/80/45/234168045.db2.gz JAXOUUHPQBIRBR-UHFFFAOYSA-N 1 0 321.381 1.702 20 5 DDBDRO C[N@H+](CCNC(=O)CSc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000067701673 353062442 /nfs/dbraw/zinc/06/24/42/353062442.db2.gz JCJGPJFNHQVWBV-UHFFFAOYSA-N 1 0 309.391 1.897 20 5 DDBDRO COc1ccc(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000067703542 353063730 /nfs/dbraw/zinc/06/37/30/353063730.db2.gz NCFXVYKPHLZRAG-NSHDSACASA-N 1 0 305.334 1.570 20 5 DDBDRO CC[C@H](CO)[NH+]1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000174138197 198296562 /nfs/dbraw/zinc/29/65/62/198296562.db2.gz KSHRUSDFJNMRNN-CQSZACIVSA-N 1 0 323.393 1.362 20 5 DDBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2c([N+](=O)[O-])c(C)nn2C)C1 ZINC000174161364 198300045 /nfs/dbraw/zinc/30/00/45/198300045.db2.gz ZOIIAUNWUOPVDV-LLVKDONJSA-N 1 0 309.370 1.193 20 5 DDBDRO Cn1cc(CC[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cn1 ZINC000077247142 353460848 /nfs/dbraw/zinc/46/08/48/353460848.db2.gz WKPWPXCHHUUTPV-UHFFFAOYSA-N 1 0 315.377 1.693 20 5 DDBDRO C[N@H+](CCCNc1ncc([N+](=O)[O-])c(N)n1)Cc1ccccc1 ZINC000079832243 353578630 /nfs/dbraw/zinc/57/86/30/353578630.db2.gz NWMRBOXWXNDVOC-UHFFFAOYSA-N 1 0 316.365 1.901 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000090554477 353795672 /nfs/dbraw/zinc/79/56/72/353795672.db2.gz SLKLQGARMROKPU-LBPRGKRZSA-N 1 0 317.349 1.359 20 5 DDBDRO O=[N+]([O-])c1ccc(OCC[NH+]2CCC(OCCCO)CC2)cc1 ZINC000154963159 354210289 /nfs/dbraw/zinc/21/02/89/354210289.db2.gz IDPMQVPLBZTZPR-UHFFFAOYSA-N 1 0 324.377 1.837 20 5 DDBDRO [NH3+][C@H]1CCC[C@H](NC(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000161965526 354244192 /nfs/dbraw/zinc/24/41/92/354244192.db2.gz IYFRURMWYSHJFO-RYUDHWBXSA-N 1 0 306.366 1.783 20 5 DDBDRO NC(=O)N[C@@H]1CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000270623441 354408169 /nfs/dbraw/zinc/40/81/69/354408169.db2.gz KHPOTJDWTHBITP-LLVKDONJSA-N 1 0 308.338 1.106 20 5 DDBDRO CC[C@H]1CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000316619991 354504591 /nfs/dbraw/zinc/50/45/91/354504591.db2.gz AUZMHBSPORRILS-GWCFXTLKSA-N 1 0 306.366 1.253 20 5 DDBDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])n2C)C[C@@H](C)C1 ZINC000346231304 283035010 /nfs/dbraw/zinc/03/50/10/283035010.db2.gz OBROETMBQSTOQC-SCRDCRAPSA-N 1 0 320.393 1.736 20 5 DDBDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C[C@@H](C)C1 ZINC000346216129 283032862 /nfs/dbraw/zinc/03/28/62/283032862.db2.gz IAARIYJUMISKAV-MISXGVKJSA-N 1 0 306.366 1.725 20 5 DDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000401469853 354664126 /nfs/dbraw/zinc/66/41/26/354664126.db2.gz HAXNBJQXGAFODS-CQSZACIVSA-N 1 0 303.362 1.928 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@@H]2CCO)c1 ZINC000589515069 354998748 /nfs/dbraw/zinc/99/87/48/354998748.db2.gz UVFMXQRKXNBBAP-CYBMUJFWSA-N 1 0 308.334 1.728 20 5 DDBDRO C[N@@H+]1C[C@H]2CCN(C(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)[C@@H]2C1 ZINC000590446622 355099755 /nfs/dbraw/zinc/09/97/55/355099755.db2.gz TYJAIVXHGVBAHF-QMTHXVAHSA-N 1 0 314.345 1.852 20 5 DDBDRO C[C@@H]1[C@H](O)CC[N@@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000590762213 355170185 /nfs/dbraw/zinc/17/01/85/355170185.db2.gz BYWWODZEBPXHME-ZWNOBZJWSA-N 1 0 321.333 1.348 20 5 DDBDRO CC1([NH3+])CCN(C(=O)NCCc2ccccc2[N+](=O)[O-])CC1 ZINC000591353279 355296459 /nfs/dbraw/zinc/29/64/59/355296459.db2.gz JIUOSGKHOPDHLK-UHFFFAOYSA-N 1 0 306.366 1.660 20 5 DDBDRO O=[N+]([O-])c1cc2c(ncnc2N2CC[C@H]3CC[NH2+][C@H]3C2)s1 ZINC000591439844 355311283 /nfs/dbraw/zinc/31/12/83/355311283.db2.gz YSRKZLGGMKLGGH-SCZZXKLOSA-N 1 0 305.363 1.788 20 5 DDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000591444761 355312849 /nfs/dbraw/zinc/31/28/49/355312849.db2.gz QXHPDLGJTYIEHJ-CHWSQXEVSA-N 1 0 307.398 1.946 20 5 DDBDRO [NH3+][C@H]1CCCO[C@H]1C1CCN(c2ncc([N+](=O)[O-])cc2F)CC1 ZINC000591446273 355313726 /nfs/dbraw/zinc/31/37/26/355313726.db2.gz YMPOCBYVPNUVPL-KBPBESRZSA-N 1 0 324.356 1.852 20 5 DDBDRO CN1CCC[C@@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000591733985 355373933 /nfs/dbraw/zinc/37/39/33/355373933.db2.gz SJHFNNOYBYLQBE-CHWSQXEVSA-N 1 0 309.366 1.018 20 5 DDBDRO C[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CCCCO1 ZINC000591759274 355378791 /nfs/dbraw/zinc/37/87/91/355378791.db2.gz YOENJRLHGQOGNJ-NOLJZWGESA-N 1 0 324.377 1.882 20 5 DDBDRO COc1cccc(C(=O)N[C@@H]2[C@H](C)CC[NH2+][C@H]2C)c1[N+](=O)[O-] ZINC000591684120 355361598 /nfs/dbraw/zinc/36/15/98/355361598.db2.gz CZHHOWHAKIXUKS-GBIKHYSHSA-N 1 0 307.350 1.720 20 5 DDBDRO Cc1cc(N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000591981538 355452986 /nfs/dbraw/zinc/45/29/86/355452986.db2.gz CFUGBCVTVDXIGT-LBPRGKRZSA-N 1 0 306.366 1.459 20 5 DDBDRO CC(C)[C@H]1CN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000592246402 355546993 /nfs/dbraw/zinc/54/69/93/355546993.db2.gz MQNGIMJBJFSFII-CQSZACIVSA-N 1 0 307.350 1.430 20 5 DDBDRO CNc1ccc(C(=O)N(C2CC2)C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000592459007 355588854 /nfs/dbraw/zinc/58/88/54/355588854.db2.gz ZSZFKKGXBXPYLA-UHFFFAOYSA-N 1 0 318.377 1.993 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C)([NH3+])CC1 ZINC000592378248 355570445 /nfs/dbraw/zinc/57/04/45/355570445.db2.gz BTVGZWBZHBYWHF-UHFFFAOYSA-N 1 0 313.379 1.405 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000593915354 356057826 /nfs/dbraw/zinc/05/78/26/356057826.db2.gz JFAUESGBAQTXQU-IINYFYTJSA-N 1 0 306.366 1.888 20 5 DDBDRO Cn1c(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)ccc1[N+](=O)[O-] ZINC000594204726 356139554 /nfs/dbraw/zinc/13/95/54/356139554.db2.gz XSYHNFBNPQEGOI-NWDGAFQWSA-N 1 0 306.366 1.680 20 5 DDBDRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000594234444 356147587 /nfs/dbraw/zinc/14/75/87/356147587.db2.gz WMOSVDCNOIMOLU-XBXGTLAGSA-N 1 0 320.393 1.777 20 5 DDBDRO O=C([C@@H]1C[C@@]12CCC[NH2+]C2)N1CCc2c1cccc2[N+](=O)[O-] ZINC000594447923 356219827 /nfs/dbraw/zinc/21/98/27/356219827.db2.gz XVMSGUPIGLGNNN-BLLLJJGKSA-N 1 0 301.346 1.874 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000594452090 356222754 /nfs/dbraw/zinc/22/27/54/356222754.db2.gz XIVBEDHXJOCTSF-VIFPVBQESA-N 1 0 307.228 1.223 20 5 DDBDRO CCC(C)(C)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000594390066 356194135 /nfs/dbraw/zinc/19/41/35/356194135.db2.gz RWJABCFCGACHQQ-UHFFFAOYSA-N 1 0 306.366 1.936 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@]1(O)CCO[C@@H]1C ZINC000595053512 356376798 /nfs/dbraw/zinc/37/67/98/356376798.db2.gz KOXAJRMDEOYMEV-RWSFTLGLSA-N 1 0 310.350 1.794 20 5 DDBDRO CC(C)[C@H]([NH3+])CCN(C)C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000236827589 202027975 /nfs/dbraw/zinc/02/79/75/202027975.db2.gz KJASQBNLEXXPCX-CQSZACIVSA-N 1 0 309.366 1.805 20 5 DDBDRO C[NH2+]C[C@H](C)NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000595122459 356387068 /nfs/dbraw/zinc/38/70/68/356387068.db2.gz STNQYIBEZBYJIX-ZETCQYMHSA-N 1 0 307.759 1.134 20 5 DDBDRO COc1cc(CN2CC[C@H]([NH3+])[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000347036827 283156549 /nfs/dbraw/zinc/15/65/49/283156549.db2.gz HIOIXKCUWLDPOP-PWSUYJOCSA-N 1 0 309.366 1.781 20 5 DDBDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000177552198 198744185 /nfs/dbraw/zinc/74/41/85/198744185.db2.gz IHZBUCZSNFQVHD-OLZOCXBDSA-N 1 0 321.377 1.963 20 5 DDBDRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595551447 356546161 /nfs/dbraw/zinc/54/61/61/356546161.db2.gz LZMGPXFKDXOHES-RYUDHWBXSA-N 1 0 311.357 1.621 20 5 DDBDRO CC[N@@H+]1CCCN(CC(=O)Nc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000595536003 356537534 /nfs/dbraw/zinc/53/75/34/356537534.db2.gz LTFACGYHCDUPFL-CYBMUJFWSA-N 1 0 320.393 1.949 20 5 DDBDRO Cc1ccc2c(c1)C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CC2 ZINC000595657528 356594812 /nfs/dbraw/zinc/59/48/12/356594812.db2.gz MKNGNUAQGDWKRP-MRXNPFEDSA-N 1 0 316.361 1.519 20 5 DDBDRO Cc1cc(S(=O)(=O)N2C[C@H](C)[NH2+]C[C@H]2C)c([N+](=O)[O-])s1 ZINC000601341747 358506974 /nfs/dbraw/zinc/50/69/74/358506974.db2.gz BKTAHJYUMDCIJY-JGVFFNPUSA-N 1 0 319.408 1.336 20 5 DDBDRO O=C1CC[C@@H]2C[N@H+](CCc3ccc([N+](=O)[O-])cc3)CC[C@@H]2N1 ZINC000595744988 356632152 /nfs/dbraw/zinc/63/21/52/356632152.db2.gz XPLWGVKCKBYEPX-HIFRSBDPSA-N 1 0 303.362 1.738 20 5 DDBDRO C[C@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@@H]1CCO ZINC000595706885 356617155 /nfs/dbraw/zinc/61/71/55/356617155.db2.gz YEYWJSSLLYJQPZ-GXTWGEPZSA-N 1 0 309.366 1.239 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000595728986 356625442 /nfs/dbraw/zinc/62/54/42/356625442.db2.gz PGGNRDWJKMDCQK-RISCZKNCSA-N 1 0 319.361 1.704 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@H](CCF)C2)c1 ZINC000595756853 356638416 /nfs/dbraw/zinc/63/84/16/356638416.db2.gz XXSCJCMIZZNOBZ-YPMHNXCESA-N 1 0 300.334 1.224 20 5 DDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H]2COC[C@H]2C1 ZINC000595833834 356670342 /nfs/dbraw/zinc/67/03/42/356670342.db2.gz RZRUGRHRWBHWCM-FRRDWIJNSA-N 1 0 319.361 1.890 20 5 DDBDRO O=C(CC[N@@H+]1CC[C@H]2COC[C@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000595826936 356665991 /nfs/dbraw/zinc/66/59/91/356665991.db2.gz BESAWYNBWBZWAS-QWHCGFSZSA-N 1 0 319.361 1.892 20 5 DDBDRO C[NH2+]CCNC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000237074341 202145466 /nfs/dbraw/zinc/14/54/66/202145466.db2.gz VPFXCFJWTACQNI-QMMMGPOBSA-N 1 0 301.730 1.351 20 5 DDBDRO O=[N+]([O-])c1cc(F)ccc1CN1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000595865087 356683833 /nfs/dbraw/zinc/68/38/33/356683833.db2.gz ZAQMHISDEYMVAP-OAHLLOKOSA-N 1 0 323.368 1.765 20 5 DDBDRO CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)CC(C)(C)[NH3+] ZINC000595899932 356696898 /nfs/dbraw/zinc/69/68/98/356696898.db2.gz WSRLHJSMUIIMSZ-UHFFFAOYSA-N 1 0 314.773 1.856 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC2CC1(C[NH3+])C2 ZINC000595909798 356701788 /nfs/dbraw/zinc/70/17/88/356701788.db2.gz NTJMBXGHQIGACF-UHFFFAOYSA-N 1 0 304.350 1.265 20 5 DDBDRO CCOc1ccc(C(=O)NCC2([NH3+])CCCC2)cc1[N+](=O)[O-] ZINC000595967855 356728523 /nfs/dbraw/zinc/72/85/23/356728523.db2.gz WUHWRVRDYIVEHM-UHFFFAOYSA-N 1 0 307.350 1.995 20 5 DDBDRO CN(CC(C)(C)[NH3+])C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000595942021 356715682 /nfs/dbraw/zinc/71/56/82/356715682.db2.gz FSKNKLZKMFMXRF-UHFFFAOYSA-N 1 0 318.333 1.658 20 5 DDBDRO CCC[NH+]1CCC(Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000596062246 356757881 /nfs/dbraw/zinc/75/78/81/356757881.db2.gz OMTZUNAHXHZRNN-UHFFFAOYSA-N 1 0 306.366 1.980 20 5 DDBDRO CCCN1CC[C@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000596066136 356759294 /nfs/dbraw/zinc/75/92/94/356759294.db2.gz PLQUGNHAFRHSRE-ZFWWWQNUSA-N 1 0 323.393 1.408 20 5 DDBDRO CC[NH+]1CCN(CCNc2ccc([N+](=O)[O-])cc2COC)CC1 ZINC000596073921 356762862 /nfs/dbraw/zinc/76/28/62/356762862.db2.gz ONWONCHRIFGEGM-UHFFFAOYSA-N 1 0 322.409 1.791 20 5 DDBDRO CC[N@@H+]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H]1C ZINC000618288412 363567072 /nfs/dbraw/zinc/56/70/72/363567072.db2.gz GFIDKOXNXDTACC-LLVKDONJSA-N 1 0 303.366 1.997 20 5 DDBDRO NC(=O)c1cc(N2CC[C@@H]([NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000596106615 356773745 /nfs/dbraw/zinc/77/37/45/356773745.db2.gz URRSTCFUHZSOGG-GFCCVEGCSA-N 1 0 304.350 1.368 20 5 DDBDRO C[N@@H+]1CCC[C@@H]2CN(c3ccc([N+](=O)[O-])c(C(N)=O)c3)CC[C@H]21 ZINC000596170405 356800920 /nfs/dbraw/zinc/80/09/20/356800920.db2.gz ZLDJJQKPHSKJST-BXUZGUMPSA-N 1 0 318.377 1.614 20 5 DDBDRO CS[C@H]1CN(c2cc[nH]c(=O)c2[N+](=O)[O-])C[C@H]1[NH+]1CCCC1 ZINC000596197164 356810153 /nfs/dbraw/zinc/81/01/53/356810153.db2.gz VXUCXRORVLUSID-NEPJUHHUSA-N 1 0 324.406 1.711 20 5 DDBDRO Cc1cc(N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)c([N+](=O)[O-])s1 ZINC000596289197 356845865 /nfs/dbraw/zinc/84/58/65/356845865.db2.gz XXKYFJBNMVOWRM-JTQLQIEISA-N 1 0 312.395 1.521 20 5 DDBDRO C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)C2 ZINC000597569491 357232217 /nfs/dbraw/zinc/23/22/17/357232217.db2.gz XBFLXVULKVWUKZ-LSDHHAIUSA-N 1 0 315.373 1.862 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H]([NH+](C)C)[C@H]1C ZINC000597699307 357291361 /nfs/dbraw/zinc/29/13/61/357291361.db2.gz JMBXFRHYHGJWHX-ZWNOBZJWSA-N 1 0 307.350 1.768 20 5 DDBDRO CCc1n[nH]c(C(=O)N2CCC[C@]3(CC[N@H+](C)C3)C2)c1[N+](=O)[O-] ZINC000597715582 357299859 /nfs/dbraw/zinc/29/98/59/357299859.db2.gz MWIAPFIQEOAUNU-OAHLLOKOSA-N 1 0 321.381 1.438 20 5 DDBDRO C[C@@H](CO)[C@@H](C)[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000358800872 299260524 /nfs/dbraw/zinc/26/05/24/299260524.db2.gz BGUIORXPJAWHTF-VHSXEESVSA-N 1 0 306.322 1.751 20 5 DDBDRO [NH3+][C@@]12CCC[C@H]1CN(C(=O)CCc1cccc([N+](=O)[O-])c1)C2 ZINC000598668721 357678401 /nfs/dbraw/zinc/67/84/01/357678401.db2.gz ZBNQADJHPXGHHF-XJKSGUPXSA-N 1 0 303.362 1.867 20 5 DDBDRO C[C@@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1CO ZINC000598648864 357669970 /nfs/dbraw/zinc/66/99/70/357669970.db2.gz IAHAZUMIZJXQCD-OLZOCXBDSA-N 1 0 321.377 1.874 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000598680816 357684809 /nfs/dbraw/zinc/68/48/09/357684809.db2.gz DNGBIDSMYZNJBH-MLGOLLRUSA-N 1 0 318.377 1.655 20 5 DDBDRO [NH3+][C@@]12CCC[C@@H]1CN(S(=O)(=O)c1ccc([N+](=O)[O-])s1)C2 ZINC000598727752 357706145 /nfs/dbraw/zinc/70/61/45/357706145.db2.gz YWVUZWWATVYZAI-LDYMZIIASA-N 1 0 317.392 1.158 20 5 DDBDRO COCC[NH2+]CCNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000598913009 357756446 /nfs/dbraw/zinc/75/64/46/357756446.db2.gz DWABMWRLTXBWRD-UHFFFAOYSA-N 1 0 316.745 1.606 20 5 DDBDRO CC1(CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000598915805 357757594 /nfs/dbraw/zinc/75/75/94/357757594.db2.gz PJQINMFXTJVGTR-UHFFFAOYSA-N 1 0 320.349 1.039 20 5 DDBDRO CCC(CC)[NH2+]CCNc1ncc(C(=O)OC)cc1[N+](=O)[O-] ZINC000599097748 357815279 /nfs/dbraw/zinc/81/52/79/357815279.db2.gz MIUXPCUEUQAOMQ-UHFFFAOYSA-N 1 0 310.354 1.967 20 5 DDBDRO CC[C@@H]1[NH2+]CC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000599102246 357815982 /nfs/dbraw/zinc/81/59/82/357815982.db2.gz PXFGXQIVVAQJPK-NWDGAFQWSA-N 1 0 313.379 1.322 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000599101752 357816155 /nfs/dbraw/zinc/81/61/55/357816155.db2.gz AWUCEMSVMQIEDY-QWRGUYRKSA-N 1 0 313.379 1.322 20 5 DDBDRO CC[C@@H]1CN(c2ccc(C(=O)NC)cc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000599181397 357841563 /nfs/dbraw/zinc/84/15/63/357841563.db2.gz VWTQYCRGHQCXMS-CMPLNLGQSA-N 1 0 306.366 1.531 20 5 DDBDRO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@@H](O)CC3(O)CCC3)CC2)n1 ZINC000599387083 357919431 /nfs/dbraw/zinc/91/94/31/357919431.db2.gz HKEBKMRWFWVRNN-ZDUSSCGKSA-N 1 0 324.381 1.094 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)C[C@H]2C[C@@H](O)C2)c1 ZINC000599656489 358010523 /nfs/dbraw/zinc/01/05/23/358010523.db2.gz VXYBAXLNXQEHGE-GSJFWJNXSA-N 1 0 308.334 1.584 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)C[C@H]1C[C@@H](O)C1 ZINC000599674086 358019322 /nfs/dbraw/zinc/01/93/22/358019322.db2.gz WPQTUXJOLOIUOA-KLPPZKSPSA-N 1 0 323.349 1.245 20 5 DDBDRO Cc1c(CNC(=O)N[C@@H]2CC[NH2+]C23CCC3)cccc1[N+](=O)[O-] ZINC000599916401 358079485 /nfs/dbraw/zinc/07/94/85/358079485.db2.gz AZCRSLCFGLKVKV-CQSZACIVSA-N 1 0 318.377 1.987 20 5 DDBDRO C[NH2+]CCN(C)C(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000237313741 202228472 /nfs/dbraw/zinc/22/84/72/202228472.db2.gz IMGOTWQQZFRVTQ-VIFPVBQESA-N 1 0 315.757 1.693 20 5 DDBDRO C[C@@H]1CN(C(=O)CCNc2ccccc2[N+](=O)[O-])[C@@H](C)C[NH2+]1 ZINC000237411699 202257794 /nfs/dbraw/zinc/25/77/94/202257794.db2.gz XYBURMXBSGIMJS-NEPJUHHUSA-N 1 0 306.366 1.606 20 5 DDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000180632744 199188007 /nfs/dbraw/zinc/18/80/07/199188007.db2.gz KNNDBEJICMANEP-UHFFFAOYSA-N 1 0 318.377 1.877 20 5 DDBDRO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CC[C@H](C[NH+](C)C)C1 ZINC000601116539 358408943 /nfs/dbraw/zinc/40/89/43/358408943.db2.gz MWOJRHMVIRXEQL-MRVPVSSYSA-N 1 0 321.303 1.735 20 5 DDBDRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000601127586 358413463 /nfs/dbraw/zinc/41/34/63/358413463.db2.gz KEZONFAMSSULCA-NSHDSACASA-N 1 0 307.325 1.948 20 5 DDBDRO NC(=O)c1ccc(C[NH2+][C@@H]2CCC[C@H]2CCO)c([N+](=O)[O-])c1 ZINC000279167518 283377177 /nfs/dbraw/zinc/37/71/77/283377177.db2.gz BRFSSMVVFNQKJF-GXFFZTMASA-N 1 0 307.350 1.334 20 5 DDBDRO CN1CCCC[C@H]([N@H+](C)CCOc2ccc([N+](=O)[O-])cc2)C1=O ZINC000601967817 358757627 /nfs/dbraw/zinc/75/76/27/358757627.db2.gz CJFWRDNVWXVBGK-HNNXBMFYSA-N 1 0 321.377 1.916 20 5 DDBDRO C[NH+](C)[C@@H]1C[C@@H](NC(=O)COc2ccccc2[N+](=O)[O-])C1(C)C ZINC000602172152 358862606 /nfs/dbraw/zinc/86/26/06/358862606.db2.gz NRNKPLAFDNEFKC-ZIAGYGMSSA-N 1 0 321.377 1.819 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1C[C@@H]([NH+]2CCCC2)C1 ZINC000602173501 358863164 /nfs/dbraw/zinc/86/31/64/358863164.db2.gz QQVVKBDSABPTEK-BETUJISGSA-N 1 0 321.381 1.233 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N[C@H]1C[C@@H]([NH+]2CCCC2)C1 ZINC000602174304 358863430 /nfs/dbraw/zinc/86/34/30/358863430.db2.gz TWXUBJISKXBMOE-XBXGTLAGSA-N 1 0 319.361 1.717 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1C[C@@H]([NH+](C)C)C1(C)C ZINC000602175169 358864263 /nfs/dbraw/zinc/86/42/63/358864263.db2.gz WOTQJNVOLNUICW-VXGBXAGGSA-N 1 0 323.397 1.335 20 5 DDBDRO O=c1c(C[NH2+]CCn2cc([N+](=O)[O-])cn2)cccn1C(F)F ZINC000602569170 359048949 /nfs/dbraw/zinc/04/89/49/359048949.db2.gz ONRDCDIDHIYVNX-UHFFFAOYSA-N 1 0 313.264 1.138 20 5 DDBDRO CN1CC[N@H+](C)C[C@H]1CNCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602546371 359038568 /nfs/dbraw/zinc/03/85/68/359038568.db2.gz QZWBHDOAZRWIMO-GFCCVEGCSA-N 1 0 319.365 1.071 20 5 DDBDRO C[C@H](CCCO)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602573417 359050346 /nfs/dbraw/zinc/05/03/46/359050346.db2.gz IXJUBPZVTRMJFU-GFCCVEGCSA-N 1 0 308.382 1.709 20 5 DDBDRO COCCC[N@H+](C)CCNCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602559409 359045170 /nfs/dbraw/zinc/04/51/70/359045170.db2.gz IMBMGFXYOJYSIC-UHFFFAOYSA-N 1 0 322.365 1.794 20 5 DDBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CCCN(CCCO)C2)cc1 ZINC000602674344 359118158 /nfs/dbraw/zinc/11/81/58/359118158.db2.gz OTLDHCUIRNMTBG-HNNXBMFYSA-N 1 0 307.394 1.574 20 5 DDBDRO CC[N@@H+]1CC[C@H](N(C)CCn2c(C)ncc2[N+](=O)[O-])C[C@@H]1C ZINC000602775855 359181974 /nfs/dbraw/zinc/18/19/74/359181974.db2.gz CIDNRSDEAMTOPM-JSGCOSHPSA-N 1 0 309.414 1.904 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000602784994 359189796 /nfs/dbraw/zinc/18/97/96/359189796.db2.gz QVMXZSIOTLZBTR-RYUDHWBXSA-N 1 0 312.395 1.306 20 5 DDBDRO CON1CCC([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000602696096 359130512 /nfs/dbraw/zinc/13/05/12/359130512.db2.gz CSZVHUJVOYUSRF-UHFFFAOYSA-N 1 0 306.322 1.851 20 5 DDBDRO Cn1cc(C[N@H+]2C[C@]34COC[C@@]3(C2)CCCC4)c([N+](=O)[O-])n1 ZINC000602716363 359145666 /nfs/dbraw/zinc/14/56/66/359145666.db2.gz UKNAZWYBWHWKPG-GASCZTMLSA-N 1 0 306.366 1.721 20 5 DDBDRO O=[N+]([O-])c1ccc(C[NH+]2CCC(CCO)(CCO)CC2)cc1 ZINC000602732104 359154214 /nfs/dbraw/zinc/15/42/14/359154214.db2.gz NXGUEPKRYXITON-UHFFFAOYSA-N 1 0 308.378 1.942 20 5 DDBDRO CC1(C)CO[C@@H](C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000602766063 359175684 /nfs/dbraw/zinc/17/56/84/359175684.db2.gz KZUIKEFLBCAMJM-CQSZACIVSA-N 1 0 320.393 1.927 20 5 DDBDRO 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DDBDRO CC[C@H]1CN(c2nc(C)cc(C)c2[N+](=O)[O-])CC[N@@H+]1C[C@@H](C)O ZINC000611615844 360777394 /nfs/dbraw/zinc/77/73/94/360777394.db2.gz CZVMGNLRQDKSFN-KGLIPLIRSA-N 1 0 322.409 1.888 20 5 DDBDRO [NH3+][C@@H]1CC[C@H]2CN(c3nc(-c4ccc([N+](=O)[O-])cc4)no3)C[C@H]12 ZINC000420228525 283601119 /nfs/dbraw/zinc/60/11/19/283601119.db2.gz LPEPPOARZCDFFH-WCFLWFBJSA-N 1 0 315.333 1.818 20 5 DDBDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000272240161 296029112 /nfs/dbraw/zinc/02/91/12/296029112.db2.gz KUFUQUUDNDDNBH-ZJUUUORDSA-N 1 0 321.333 1.175 20 5 DDBDRO Cc1cc(C)c(S(=O)(=O)NC[C@@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000193256655 201015071 /nfs/dbraw/zinc/01/50/71/201015071.db2.gz AJDONJZSTIZLJX-NSHDSACASA-N 1 0 313.379 1.242 20 5 DDBDRO CC1(NC(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC[NH2+]CC1 ZINC000565999487 304109013 /nfs/dbraw/zinc/10/90/13/304109013.db2.gz ZWYQJSQVWJTAPI-UHFFFAOYSA-N 1 0 322.365 1.415 20 5 DDBDRO C[NH+]1CC2(C1)CCN(C(=O)c1c[nH]c3ccc([N+](=O)[O-])cc13)C2 ZINC000619251770 363945191 /nfs/dbraw/zinc/94/51/91/363945191.db2.gz PSLVDECERUDTAL-UHFFFAOYSA-N 1 0 314.345 1.854 20 5 DDBDRO C[C@@]1(C(N)=O)CC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000619434452 364006577 /nfs/dbraw/zinc/00/65/77/364006577.db2.gz OINCDVNJWHYZLW-OAHLLOKOSA-N 1 0 321.333 1.063 20 5 DDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CCN([C@H]2CCOC2)CC1 ZINC000619485896 364032646 /nfs/dbraw/zinc/03/26/46/364032646.db2.gz RWDWSOSDASAAPL-LBPRGKRZSA-N 1 0 309.370 1.031 20 5 DDBDRO C[NH2+]CCC1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000262058067 203187005 /nfs/dbraw/zinc/18/70/05/203187005.db2.gz NPMISOOJBXQORN-UHFFFAOYSA-N 1 0 321.377 1.822 20 5 DDBDRO Cc1ccc([C@H](C)NC(=O)C[C@@H]2COCC[NH2+]2)cc1[N+](=O)[O-] ZINC000262352947 203270965 /nfs/dbraw/zinc/27/09/65/203270965.db2.gz JJKOLWLZYRRGAM-WCQYABFASA-N 1 0 307.350 1.459 20 5 DDBDRO [NH3+]C[C@@H]1CCCCN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000262547277 203326290 /nfs/dbraw/zinc/32/62/90/203326290.db2.gz NBBHVKXDNXAAOE-LBPRGKRZSA-N 1 0 307.350 1.704 20 5 DDBDRO CCCc1n[nH]c(C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000264685205 204076855 /nfs/dbraw/zinc/07/68/55/204076855.db2.gz QVVLADVPPRKYIQ-LLVKDONJSA-N 1 0 323.397 1.732 20 5 DDBDRO COc1cc(C[NH2+][C@H](C)Cn2cccn2)c([N+](=O)[O-])cc1OC ZINC000282578876 217102714 /nfs/dbraw/zinc/10/27/14/217102714.db2.gz LAMYZHDQZRYJSN-LLVKDONJSA-N 1 0 320.349 1.987 20 5 DDBDRO CC[NH+](CC)[C@H](C)CNC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000282653156 217154121 /nfs/dbraw/zinc/15/41/21/217154121.db2.gz AXXTUBFTTWGASS-SECBINFHSA-N 1 0 312.345 1.776 20 5 DDBDRO O=[N+]([O-])c1cc(C[NH2+]CC2(OCCO)CCOCC2)cs1 ZINC000282687485 217177450 /nfs/dbraw/zinc/17/74/50/217177450.db2.gz NWGYRDQGOCSEBB-UHFFFAOYSA-N 1 0 316.379 1.304 20 5 DDBDRO COc1cc(N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000266344531 205281962 /nfs/dbraw/zinc/28/19/62/205281962.db2.gz IROOQQWDJBTCCX-RYUDHWBXSA-N 1 0 309.366 1.495 20 5 DDBDRO C[N@@H+]1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000567031840 304193883 /nfs/dbraw/zinc/19/38/83/304193883.db2.gz FOAJNCVIVVLTEB-UHFFFAOYSA-N 1 0 306.366 1.559 20 5 DDBDRO C[NH2+]CCCNC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000121081878 248269367 /nfs/dbraw/zinc/26/93/67/248269367.db2.gz NBDZRGHYGDNGST-UHFFFAOYSA-N 1 0 317.349 1.335 20 5 DDBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C[C@@H](C)[C@@H]([NH+](C)C)C1 ZINC000270695046 248660277 /nfs/dbraw/zinc/66/02/77/248660277.db2.gz YTSAHZNCYKLPRT-XUJVJEKNSA-N 1 0 320.393 1.804 20 5 DDBDRO CC[C@H](C)[N@H+](C)CCNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000104389057 194003859 /nfs/dbraw/zinc/00/38/59/194003859.db2.gz SCFLAAQEPHPOSU-LBPRGKRZSA-N 1 0 308.382 1.853 20 5 DDBDRO CC[NH+]1CCN(CCNc2cc(OC)ccc2[N+](=O)[O-])CC1 ZINC000338644609 250073606 /nfs/dbraw/zinc/07/36/06/250073606.db2.gz HPOWQDVRJUSEKZ-UHFFFAOYSA-N 1 0 308.382 1.653 20 5 DDBDRO CC(C)(C(=O)NCCC[NH+]1CCCC1)n1cc([N+](=O)[O-])cn1 ZINC000338770548 250130505 /nfs/dbraw/zinc/13/05/05/250130505.db2.gz KNIJZJLEASWVSH-UHFFFAOYSA-N 1 0 309.370 1.129 20 5 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223941873 /nfs/dbraw/zinc/94/18/73/223941873.db2.gz UIQMMEHJJDYPAU-WFASDCNBSA-N 1 0 310.350 1.351 20 5 DDBDRO Cc1cc(N(C)Cc2nnnn2C)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000340798568 251216354 /nfs/dbraw/zinc/21/63/54/251216354.db2.gz NZUAFPWCGHELED-UHFFFAOYSA-N 1 0 313.321 1.611 20 5 DDBDRO Cc1cc(C(=O)N[C@H](CO)C[NH+]2CCCCC2)cc([N+](=O)[O-])c1 ZINC000340801273 251218132 /nfs/dbraw/zinc/21/81/32/251218132.db2.gz ZKXCGPUYRTTYOL-AWEZNQCLSA-N 1 0 321.377 1.480 20 5 DDBDRO CSCC[C@H]([NH3+])C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000269138230 207267916 /nfs/dbraw/zinc/26/79/16/207267916.db2.gz XLLCHJIQJDNJLE-NSHDSACASA-N 1 0 317.798 1.945 20 5 DDBDRO C[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000269173612 207294149 /nfs/dbraw/zinc/29/41/49/207294149.db2.gz KQPFWGXGWULOET-LBPRGKRZSA-N 1 0 305.378 1.940 20 5 DDBDRO Cc1nn(CCC(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)c(C)c1[N+](=O)[O-] ZINC000269175562 207297058 /nfs/dbraw/zinc/29/70/58/207297058.db2.gz GYVYKTIVLHFWSH-MFKMUULPSA-N 1 0 323.397 1.303 20 5 DDBDRO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CC[C@@H]1[NH3+] ZINC000269189886 207309891 /nfs/dbraw/zinc/30/98/91/207309891.db2.gz GWLGQBVHGRQXSL-GWCFXTLKSA-N 1 0 306.366 1.470 20 5 DDBDRO COc1cc(C(=O)N[C@H](C[NH3+])C2CC2)cc([N+](=O)[O-])c1OC ZINC000269196721 207316912 /nfs/dbraw/zinc/31/69/12/207316912.db2.gz RXXMMUXQVVMPSD-SNVBAGLBSA-N 1 0 309.322 1.079 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@@H](C[NH+](C)C)C1 ZINC000114480523 194664273 /nfs/dbraw/zinc/66/42/73/194664273.db2.gz DEAMCXUWHKPKCO-ZDUSSCGKSA-N 1 0 320.393 1.725 20 5 DDBDRO C[NH+](C)C[C@@](C)(O)CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000269859477 207916366 /nfs/dbraw/zinc/91/63/66/207916366.db2.gz CLJKQILNYRLCCU-INIZCTEOSA-N 1 0 323.393 1.301 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@@H](Oc3ccncc3)C2)c1 ZINC000120191256 195115510 /nfs/dbraw/zinc/11/55/10/195115510.db2.gz NQOXFRWBZBJENN-CQSZACIVSA-N 1 0 303.322 1.340 20 5 DDBDRO O=[N+]([O-])c1ccc(-c2noc(N3CC[C@H]4CC[C@@H](C3)[NH2+]4)n2)cc1 ZINC000420208341 285106908 /nfs/dbraw/zinc/10/69/08/285106908.db2.gz XYHFMENUMRNTJG-NEPJUHHUSA-N 1 0 315.333 1.976 20 5 DDBDRO COCCOC[C@@H](O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000295890972 533104771 /nfs/dbraw/zinc/10/47/71/533104771.db2.gz BNDKKXHNLZETSW-INIZCTEOSA-N 1 0 324.377 1.583 20 5 DDBDRO CCOC(=O)c1cc(C(=O)NCC[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000120331734 195145042 /nfs/dbraw/zinc/14/50/42/195145042.db2.gz XWBRTWODTREXHN-UHFFFAOYSA-N 1 0 309.322 1.063 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1COCC1(C)C ZINC000451814767 533138799 /nfs/dbraw/zinc/13/87/99/533138799.db2.gz XSYNNXIFHGEBIR-CYBMUJFWSA-N 1 0 323.349 1.557 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[NH2+][C@H](C)[C@H]1C ZINC000417186413 533220304 /nfs/dbraw/zinc/22/03/04/533220304.db2.gz SXMWDSSIJROIAW-GHMZBOCLSA-N 1 0 322.365 1.495 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000414656457 533227060 /nfs/dbraw/zinc/22/70/60/533227060.db2.gz MXTWLUDYEMBJOU-NXEZZACHSA-N 1 0 308.338 1.852 20 5 DDBDRO Cc1ccc(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)nc1 ZINC001120488252 781979492 /nfs/dbraw/zinc/97/94/92/781979492.db2.gz VNIYOZRNJKWABB-OAHLLOKOSA-N 1 0 317.345 1.828 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC([NH+](C)C)CC1 ZINC000127862106 195916074 /nfs/dbraw/zinc/91/60/74/195916074.db2.gz WYMSCUYCOOLGQQ-UHFFFAOYSA-N 1 0 320.393 1.868 20 5 DDBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC2(CC[NH2+]2)CC1 ZINC000422640914 533328670 /nfs/dbraw/zinc/32/86/70/533328670.db2.gz WLIZMMJVVKDRLQ-LBPRGKRZSA-N 1 0 318.377 1.750 20 5 DDBDRO COc1ccc(CNC(=O)N[C@@H]2CC[NH2+][C@H](C)C2)cc1[N+](=O)[O-] ZINC000417204038 533627898 /nfs/dbraw/zinc/62/78/98/533627898.db2.gz ZOJKDNHGTDFIGO-ZYHUDNBSSA-N 1 0 322.365 1.543 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)CC[NH+](C)C)cc1C ZINC000175702148 291991981 /nfs/dbraw/zinc/99/19/81/291991981.db2.gz NLNVSNCZRQCQKK-UHFFFAOYSA-N 1 0 315.395 1.394 20 5 DDBDRO CN(C)C1(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CCC1 ZINC000569448864 304354437 /nfs/dbraw/zinc/35/44/37/304354437.db2.gz CGQSVZJXFSKQMK-UHFFFAOYSA-N 1 0 320.393 1.997 20 5 DDBDRO O=C(NCc1cccc([N+](=O)[O-])c1)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000569452172 304354933 /nfs/dbraw/zinc/35/49/33/304354933.db2.gz ISTMHBQWLHPNDA-XJKSGUPXSA-N 1 0 303.362 1.991 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H]2CCc3ccc(F)cc32)c1 ZINC000570082311 304394737 /nfs/dbraw/zinc/39/47/37/304394737.db2.gz ICUJXNOZFGMHOY-ZFWWWQNUSA-N 1 0 320.324 1.568 20 5 DDBDRO COc1ccc(CC(=O)NC[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000570389774 304409025 /nfs/dbraw/zinc/40/90/25/304409025.db2.gz AXTDQYTVJPELSH-GFCCVEGCSA-N 1 0 307.350 1.262 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000068999708 406675020 /nfs/dbraw/zinc/67/50/20/406675020.db2.gz OPNMVSOMXDFAKY-UHFFFAOYSA-N 1 0 323.397 1.479 20 5 DDBDRO CN([C@H]1CC[NH2+]C1)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000071310231 406837705 /nfs/dbraw/zinc/83/77/05/406837705.db2.gz OFFSKKOAMYOPOX-VIFPVBQESA-N 1 0 319.770 1.231 20 5 DDBDRO C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)Cc1ccccc1[N+](=O)[O-])C2 ZINC000073989099 406898070 /nfs/dbraw/zinc/89/80/70/406898070.db2.gz SFHNLXFUXYOXQA-UONOGXRCSA-N 1 0 303.362 1.832 20 5 DDBDRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC000032269063 406947349 /nfs/dbraw/zinc/94/73/49/406947349.db2.gz KRDJEKXQZITRKK-ZDUSSCGKSA-N 1 0 324.381 1.020 20 5 DDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000044502569 407025286 /nfs/dbraw/zinc/02/52/86/407025286.db2.gz SGYRVDHXFNRELM-LLVKDONJSA-N 1 0 313.379 1.181 20 5 DDBDRO CN(CC1CC[NH+](C)CC1)C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000077563624 406996656 /nfs/dbraw/zinc/99/66/56/406996656.db2.gz VEPHFLAIOZFNGB-UHFFFAOYSA-N 1 0 306.366 1.591 20 5 DDBDRO CC[NH+]1CCN([C@H](C)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000046948463 407067796 /nfs/dbraw/zinc/06/77/96/407067796.db2.gz HQIAWYHDEZVCLG-CYBMUJFWSA-N 1 0 320.393 1.351 20 5 DDBDRO C[NH2+]CCCNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000122983175 407316016 /nfs/dbraw/zinc/31/60/16/407316016.db2.gz FZJOBSXJNJKZGU-UHFFFAOYSA-N 1 0 307.759 1.136 20 5 DDBDRO CC[NH2+]Cc1ccccc1NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000124470801 407359636 /nfs/dbraw/zinc/35/96/36/407359636.db2.gz JCFGMVOGAUSEBZ-UHFFFAOYSA-N 1 0 317.349 1.930 20 5 DDBDRO C[C@@H]1C[NH2+]CCN1C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000125212225 407381913 /nfs/dbraw/zinc/38/19/13/407381913.db2.gz NYRPQMSFQKYDLE-LLVKDONJSA-N 1 0 315.333 1.214 20 5 DDBDRO COc1ccc(C[N@H+](C)CC2(O)CCOCC2)cc1[N+](=O)[O-] ZINC000178704072 407554990 /nfs/dbraw/zinc/55/49/90/407554990.db2.gz SAHJUKVDNICACO-UHFFFAOYSA-N 1 0 310.350 1.577 20 5 DDBDRO CN(C(=O)CN1CC[C@@H](C[NH+](C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000114479678 407579116 /nfs/dbraw/zinc/57/91/16/407579116.db2.gz JHSCVDJBIONJOE-ZDUSSCGKSA-N 1 0 320.393 1.441 20 5 DDBDRO O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000113983629 407532533 /nfs/dbraw/zinc/53/25/33/407532533.db2.gz VIEPGWAYIHWDOM-LLVKDONJSA-N 1 0 320.349 1.396 20 5 DDBDRO COc1cc(OCc2nc(C3([NH3+])CCC3)no2)ccc1[N+](=O)[O-] ZINC000261818323 407626888 /nfs/dbraw/zinc/62/68/88/407626888.db2.gz QHCGQSDUHPJICE-UHFFFAOYSA-N 1 0 320.305 1.903 20 5 DDBDRO C[C@H](C[NH+]1CCCCCC1)NC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000186331063 407642556 /nfs/dbraw/zinc/64/25/56/407642556.db2.gz CQOZQGPHVCLVIS-LLVKDONJSA-N 1 0 322.365 1.690 20 5 DDBDRO C[C@H]([NH3+])C1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000261929102 407674819 /nfs/dbraw/zinc/67/48/19/407674819.db2.gz JGTCURXTKDDIQS-NSHDSACASA-N 1 0 306.366 1.593 20 5 DDBDRO Cc1nn(CCC(=O)NC[C@H]2CCC[N@H+]2C)c(C)c1[N+](=O)[O-] ZINC000171400811 407680792 /nfs/dbraw/zinc/68/07/92/407680792.db2.gz HWXXAUTWDDQSKM-GFCCVEGCSA-N 1 0 309.370 1.009 20 5 DDBDRO O=C(CCOc1ccccc1[N+](=O)[O-])NCC[C@H]1CCC[NH2+]C1 ZINC000152739661 407682976 /nfs/dbraw/zinc/68/29/76/407682976.db2.gz GYEVUIVKRFVILD-CYBMUJFWSA-N 1 0 321.377 1.870 20 5 DDBDRO C[NH2+]C[C@H]1CCN(C(=O)c2ccc(SC)c([N+](=O)[O-])c2)C1 ZINC000179004670 407687509 /nfs/dbraw/zinc/68/75/09/407687509.db2.gz ZWPDQEBQMNRNAE-SNVBAGLBSA-N 1 0 309.391 1.998 20 5 DDBDRO C[C@H]([NH2+]CCS(=O)(=O)N(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000230991543 407692238 /nfs/dbraw/zinc/69/22/38/407692238.db2.gz PTRCRHUFCMJCEG-JTQLQIEISA-N 1 0 301.368 1.137 20 5 DDBDRO Cn1ccnc1N1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000266967295 407696186 /nfs/dbraw/zinc/69/61/86/407696186.db2.gz YSUNCIVDEZTRKI-UHFFFAOYSA-N 1 0 315.377 1.693 20 5 DDBDRO C[C@H]([NH2+]CC1(C(N)=O)CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000153094588 407754724 /nfs/dbraw/zinc/75/47/24/407754724.db2.gz KZULVVHONDWWCL-NSHDSACASA-N 1 0 307.350 1.528 20 5 DDBDRO C[N@@H+]1CCO[C@@H]2CN(c3ccc4cc([N+](=O)[O-])ccc4n3)C[C@@H]21 ZINC000153110657 407756675 /nfs/dbraw/zinc/75/66/75/407756675.db2.gz LTIMTAYWLLBBPA-LSDHHAIUSA-N 1 0 314.345 1.662 20 5 DDBDRO COc1cc(C[N@H+](C)CCn2ccc([N+](=O)[O-])n2)cc(OC)c1 ZINC000267061578 407731742 /nfs/dbraw/zinc/73/17/42/407731742.db2.gz ISGTYFGJNJGQSO-UHFFFAOYSA-N 1 0 320.349 1.941 20 5 DDBDRO CCC[NH+]1CCC(N(C)C(=O)c2[nH]nc(CC)c2[N+](=O)[O-])CC1 ZINC000171665456 407734997 /nfs/dbraw/zinc/73/49/97/407734997.db2.gz RLTSMQDMLOJCTL-UHFFFAOYSA-N 1 0 323.397 1.827 20 5 DDBDRO COCCN(CC[NH+](C)C)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000171665446 407736647 /nfs/dbraw/zinc/73/66/47/407736647.db2.gz CPQSTMHZBBPFNG-UHFFFAOYSA-N 1 0 324.381 1.314 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1CN1CC[NH2+]C[C@@H]1c1cccc(F)c1 ZINC000262215201 407766463 /nfs/dbraw/zinc/76/64/63/407766463.db2.gz MBPJDOYXHYSLQC-CYBMUJFWSA-N 1 0 319.340 1.614 20 5 DDBDRO CCCC[C@@H]([NH3+])C(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000236809808 407775615 /nfs/dbraw/zinc/77/56/15/407775615.db2.gz ATDLGIXSIDFWDK-GFCCVEGCSA-N 1 0 309.322 1.837 20 5 DDBDRO C[NH+](C)CCCNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000117231065 407816507 /nfs/dbraw/zinc/81/65/07/407816507.db2.gz WFXKRDHGHGBMOS-UHFFFAOYSA-N 1 0 318.333 1.118 20 5 DDBDRO CC[NH2+][C@H](C)CNS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000262425717 407832181 /nfs/dbraw/zinc/83/21/81/407832181.db2.gz CLOFXQPZQIPHNN-LLVKDONJSA-N 1 0 315.395 1.488 20 5 DDBDRO C[C@](C[NH3+])(NC(=O)CCOc1ccccc1[N+](=O)[O-])C1CC1 ZINC000262613282 407882158 /nfs/dbraw/zinc/88/21/58/407882158.db2.gz GCJUMCNWOURAOT-OAHLLOKOSA-N 1 0 307.350 1.607 20 5 DDBDRO CC[N@@H+]1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2[O-])C1 ZINC000134097250 407885778 /nfs/dbraw/zinc/88/57/78/407885778.db2.gz JARBIUWBVWXROJ-LLVKDONJSA-N 1 0 307.350 1.762 20 5 DDBDRO [NH3+][C@@H]1CCC[C@H](C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000237894071 407848647 /nfs/dbraw/zinc/84/86/47/407848647.db2.gz DADOURBCQPYPHA-GXTWGEPZSA-N 1 0 303.362 1.997 20 5 DDBDRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000272548230 407975698 /nfs/dbraw/zinc/97/56/98/407975698.db2.gz KLNPVQDSCIRHCM-NWDGAFQWSA-N 1 0 307.350 1.573 20 5 DDBDRO Cc1nn(CCC(=O)N2CC[NH2+][C@H](C)[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000262783583 407928117 /nfs/dbraw/zinc/92/81/17/407928117.db2.gz LWOBADIZPQBIAJ-KOLCDFICSA-N 1 0 309.370 1.007 20 5 DDBDRO O=C(/C=C/c1ccccc1[N+](=O)[O-])NCC[N@@H+]1CCCOCC1 ZINC000189464956 408025110 /nfs/dbraw/zinc/02/51/10/408025110.db2.gz CPPROEFNQACUKN-VOTSOKGWSA-N 1 0 319.361 1.447 20 5 DDBDRO C[C@H]1CCC[N@H+](CCCCNC(=O)c2[nH]ncc2[N+](=O)[O-])C1 ZINC000136096463 408076752 /nfs/dbraw/zinc/07/67/52/408076752.db2.gz FZTWZLTUVBSEPD-NSHDSACASA-N 1 0 309.370 1.560 20 5 DDBDRO C[C@H]1CCC[C@@H](CO)[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182220821 408098379 /nfs/dbraw/zinc/09/83/79/408098379.db2.gz DQGXXAUHODJIDV-IHRRRGAJSA-N 1 0 324.377 1.570 20 5 DDBDRO C[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])CC1CCOCC1 ZINC000182327784 408127699 /nfs/dbraw/zinc/12/76/99/408127699.db2.gz BRYXPVRCDXDQOW-CQSZACIVSA-N 1 0 324.377 1.693 20 5 DDBDRO Cc1c(C(=O)NC[C@H](C)N2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000263773611 408250363 /nfs/dbraw/zinc/25/03/63/408250363.db2.gz NJGXTDJQDDFTIN-LBPRGKRZSA-N 1 0 320.393 1.269 20 5 DDBDRO Cc1c(C(=O)N2CCC[C@@H]([NH3+])C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000158288820 408332858 /nfs/dbraw/zinc/33/28/58/408332858.db2.gz VFDFPAAIRNQJJP-SECBINFHSA-N 1 0 308.294 1.375 20 5 DDBDRO COCC[N@H+](C)CCNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000263818355 408270890 /nfs/dbraw/zinc/27/08/90/408270890.db2.gz ZAERKRRYRQLUQY-UHFFFAOYSA-N 1 0 321.333 1.649 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000269432750 408308064 /nfs/dbraw/zinc/30/80/64/408308064.db2.gz CIWNUFWVEGQKAL-MWLCHTKSSA-N 1 0 321.381 1.654 20 5 DDBDRO C[C@@H]1C[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@H]1CO ZINC000190915572 408340858 /nfs/dbraw/zinc/34/08/58/408340858.db2.gz VLDCSMQGTXSQKD-PWSUYJOCSA-N 1 0 318.333 1.705 20 5 DDBDRO C[C@@H](O)[C@@H]1CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000183225411 408359634 /nfs/dbraw/zinc/35/96/34/408359634.db2.gz QQHCYTHPSTUFMN-BZPMIXESSA-N 1 0 310.350 1.037 20 5 DDBDRO CC[C@@H]1CN(c2nc(C)ccc2[N+](=O)[O-])CC[N@@H+]1C[C@H](C)O ZINC000246853614 408353787 /nfs/dbraw/zinc/35/37/87/408353787.db2.gz BQBKKBGKQQEUEE-QWHCGFSZSA-N 1 0 308.382 1.580 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CCC2CC(O)C2)c1 ZINC000571165794 304441292 /nfs/dbraw/zinc/44/12/92/304441292.db2.gz LUARWBGWFWTCDR-UXUKBGGZSA-N 1 0 310.350 1.085 20 5 DDBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])C1(CO)CCOCC1 ZINC000191021058 408358213 /nfs/dbraw/zinc/35/82/13/408358213.db2.gz JUKBUQQXBUZHMZ-UHFFFAOYSA-N 1 0 310.350 1.447 20 5 DDBDRO COCCN(CC[NH+](C)C)C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000183581176 408446976 /nfs/dbraw/zinc/44/69/76/408446976.db2.gz ZSONAFUMYHWJRU-UHFFFAOYSA-N 1 0 311.342 1.032 20 5 DDBDRO C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccncc2[N+](=O)[O-])CC[N@@H+]1C ZINC000183555139 408439799 /nfs/dbraw/zinc/43/97/99/408439799.db2.gz LKYWIPUPRNYJEG-MNOVXSKESA-N 1 0 307.354 1.936 20 5 DDBDRO C[N@H+](CCCO)C1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000270343052 408495863 /nfs/dbraw/zinc/49/58/63/408495863.db2.gz CSOLFVYWGJTFPR-UHFFFAOYSA-N 1 0 321.377 1.514 20 5 DDBDRO COc1ccc(C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000177130334 408526931 /nfs/dbraw/zinc/52/69/31/408526931.db2.gz DECHSJVQDGHIHW-CMPLNLGQSA-N 1 0 319.361 1.958 20 5 DDBDRO Cc1cc(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)c(N)c([N+](=O)[O-])c1 ZINC000176889797 408466951 /nfs/dbraw/zinc/46/69/51/408466951.db2.gz AFVKODSKOHYMTD-LLVKDONJSA-N 1 0 306.366 1.652 20 5 DDBDRO CNC(=O)[C@H](C)C[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000177208309 408552042 /nfs/dbraw/zinc/55/20/42/408552042.db2.gz XBIIPUCODXXVPU-SECBINFHSA-N 1 0 306.322 1.550 20 5 DDBDRO C[NH+](C)C[C@@H]1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000248439173 408566939 /nfs/dbraw/zinc/56/69/39/408566939.db2.gz CFRFSKWFLCUFAF-UONOGXRCSA-N 1 0 323.393 1.218 20 5 DDBDRO C[C@@H]1CSCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248462590 408574144 /nfs/dbraw/zinc/57/41/44/408574144.db2.gz PZPFXNFINAYNEN-VXGBXAGGSA-N 1 0 312.391 1.772 20 5 DDBDRO CCc1n[nH]c(C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)c1[N+](=O)[O-] ZINC000192792441 408650703 /nfs/dbraw/zinc/65/07/03/408650703.db2.gz YKVWBMOXBAESOJ-CMPLNLGQSA-N 1 0 321.381 1.437 20 5 DDBDRO C[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@H]1CO ZINC000248900270 408658159 /nfs/dbraw/zinc/65/81/59/408658159.db2.gz HEWIKXRIRHGSRD-YGRLFVJLSA-N 1 0 308.334 1.664 20 5 DDBDRO C[C@H]1CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)[C@@H](C(N)=O)C1 ZINC000249541358 408739434 /nfs/dbraw/zinc/73/94/34/408739434.db2.gz DZQTUDSYOUPWEN-SWLSCSKDSA-N 1 0 321.377 1.950 20 5 DDBDRO C[C@H](CNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](C)C1 ZINC000251690516 408783666 /nfs/dbraw/zinc/78/36/66/408783666.db2.gz OYBWMSRIWBFEHZ-WDEREUQCSA-N 1 0 322.365 1.546 20 5 DDBDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1c([N+](=O)[O-])cnn1C ZINC000163751285 408788699 /nfs/dbraw/zinc/78/86/99/408788699.db2.gz AWTGRDSSMQMUJK-GRYCIOLGSA-N 1 0 323.397 1.425 20 5 DDBDRO C[C@@H]1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000163777928 408790518 /nfs/dbraw/zinc/79/05/18/408790518.db2.gz BDKQAWZRDPVTRO-MNOVXSKESA-N 1 0 313.379 1.200 20 5 DDBDRO C[C@H](C[S@@](C)=O)[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000185105885 408758164 /nfs/dbraw/zinc/75/81/64/408758164.db2.gz VCVIFEGTUZTYFE-BIBXISHDSA-N 1 0 300.380 1.672 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@H](CCO)c1ccco1 ZINC000185106965 408758819 /nfs/dbraw/zinc/75/88/19/408758819.db2.gz RWPCCJYMFZJVBR-GFCCVEGCSA-N 1 0 307.306 1.063 20 5 DDBDRO CCCc1n[nH]c(C(=O)N2CCn3cncc3C2)c1[N+](=O)[O-] ZINC000290867099 408846092 /nfs/dbraw/zinc/84/60/92/408846092.db2.gz ASVGTVRXASBGDZ-UHFFFAOYSA-N 1 0 304.310 1.123 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@H]2CC[N@@H+](C)C2)c1 ZINC000280855696 408847242 /nfs/dbraw/zinc/84/72/42/408847242.db2.gz ATSSVRGAFYYGMU-CYBMUJFWSA-N 1 0 321.377 1.740 20 5 DDBDRO C[NH+](C)CCCOC1CCN(c2ncc([N+](=O)[O-])s2)CC1 ZINC000190333248 163136075 /nfs/dbraw/zinc/13/60/75/163136075.db2.gz XCTHGWDWDYLZDI-UHFFFAOYSA-N 1 0 314.411 1.988 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)N2CCC[C@@H]([NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000277404967 408934555 /nfs/dbraw/zinc/93/45/55/408934555.db2.gz YRPYSVOXOZWZGE-LLVKDONJSA-N 1 0 323.397 1.998 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000237058704 163370283 /nfs/dbraw/zinc/37/02/83/163370283.db2.gz VOJTUNJVZPBOSC-FOSCPWQOSA-N 1 0 318.377 1.674 20 5 DDBDRO C[C@H](c1ccccc1)[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)C(N)=O ZINC000292212645 409002623 /nfs/dbraw/zinc/00/26/23/409002623.db2.gz ONGKGDPNQNNWBJ-BXUZGUMPSA-N 1 0 317.349 1.039 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](CC[NH3+])C2)c1 ZINC000281931206 408956114 /nfs/dbraw/zinc/95/61/14/408956114.db2.gz KJBZJWQRQUMPES-NSHDSACASA-N 1 0 307.350 1.804 20 5 DDBDRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000292004270 408961293 /nfs/dbraw/zinc/96/12/93/408961293.db2.gz VKLAKELKKOXWLV-GFCCVEGCSA-N 1 0 309.366 1.819 20 5 DDBDRO CC[C@H](C)[N@H+](CCO)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000287517764 409048354 /nfs/dbraw/zinc/04/83/54/409048354.db2.gz UVCMBEFOZPZEBC-LBPRGKRZSA-N 1 0 321.377 1.577 20 5 DDBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH+]3C[C@@H](O)[C@H](O)C3)o2)c1 ZINC000278418055 409083719 /nfs/dbraw/zinc/08/37/19/409083719.db2.gz RCPJGRSNNHCQJV-ZIAGYGMSSA-N 1 0 304.302 1.392 20 5 DDBDRO CCCc1n[nH]c(C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1[N+](=O)[O-] ZINC000293327982 409090085 /nfs/dbraw/zinc/09/00/85/409090085.db2.gz IWNZLWPGLPHUML-ZJUUUORDSA-N 1 0 307.354 1.094 20 5 DDBDRO C[C@@H](Cn1cccn1)[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000278928094 409114480 /nfs/dbraw/zinc/11/44/80/409114480.db2.gz VTHUELPFHVVWKK-JTQLQIEISA-N 1 0 305.294 1.878 20 5 DDBDRO CCCC[N@H+](C)C[C@H](C)Nc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000289140405 409224000 /nfs/dbraw/zinc/22/40/00/409224000.db2.gz SEPJGWMHDGYBAX-JTQLQIEISA-N 1 0 309.370 1.621 20 5 DDBDRO C[N@@H+]1CC[C@]2(CCN(C(=O)CNc3ccccc3[N+](=O)[O-])C2)C1 ZINC000293919222 409206195 /nfs/dbraw/zinc/20/61/95/409206195.db2.gz PFPIDGCDDYQZME-INIZCTEOSA-N 1 0 318.377 1.561 20 5 DDBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@@H](CO)[C@H]1CCOC1 ZINC000280326222 409292670 /nfs/dbraw/zinc/29/26/70/409292670.db2.gz PWLVSDZUFARKHE-ZTDBIZBLSA-N 1 0 306.362 1.843 20 5 DDBDRO COc1ccc(C(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000262475074 163834760 /nfs/dbraw/zinc/83/47/60/163834760.db2.gz JNNMJHLGIQCYHA-PWSUYJOCSA-N 1 0 307.350 1.660 20 5 DDBDRO CO[C@H]1COC[C@@H]1NCc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000290210341 409321978 /nfs/dbraw/zinc/32/19/78/409321978.db2.gz VAKOPTPUZPLHNC-RYUDHWBXSA-N 1 0 320.305 1.148 20 5 DDBDRO C[C@H]([N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-])C(C)(C)O ZINC000295223019 409381917 /nfs/dbraw/zinc/38/19/17/409381917.db2.gz VVKRZAWYDIXMDI-RYUDHWBXSA-N 1 0 312.366 1.426 20 5 DDBDRO CC[C@@H]1CCCC[N@@H+]1CCNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290674995 409485078 /nfs/dbraw/zinc/48/50/78/409485078.db2.gz RPLPIDOWTDAVQR-LLVKDONJSA-N 1 0 321.381 1.765 20 5 DDBDRO COc1c(C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000331520075 409595812 /nfs/dbraw/zinc/59/58/12/409595812.db2.gz NVPNIHAVQHHCIW-ZWNOBZJWSA-N 1 0 319.361 1.816 20 5 DDBDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000354147467 409692815 /nfs/dbraw/zinc/69/28/15/409692815.db2.gz DECPUABOHKDPQQ-HNNXBMFYSA-N 1 0 321.377 1.364 20 5 DDBDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000356853680 409664911 /nfs/dbraw/zinc/66/49/11/409664911.db2.gz OCQLLPAPJFTRSG-VXGBXAGGSA-N 1 0 307.350 1.525 20 5 DDBDRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](Nc2cccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000342558958 409723098 /nfs/dbraw/zinc/72/30/98/409723098.db2.gz DSUYZFLCFPZAEQ-MFKMUULPSA-N 1 0 306.366 1.834 20 5 DDBDRO COc1ccc(OCCN2CC[C@@H]3C[NH2+]C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000357069999 409837191 /nfs/dbraw/zinc/83/71/91/409837191.db2.gz ILQNCFMCROUELN-CHWSQXEVSA-N 1 0 321.377 1.524 20 5 DDBDRO CN1CCO[C@H](C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000332065474 409851028 /nfs/dbraw/zinc/85/10/28/409851028.db2.gz SIYOUSUVHHXXFI-MCIONIFRSA-N 1 0 323.397 1.195 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[N@@H+](C)[C@H](C)[C@@H]1C ZINC000357012403 409794270 /nfs/dbraw/zinc/79/42/70/409794270.db2.gz YQJUYRQNWITJOT-OLZOCXBDSA-N 1 0 320.393 1.866 20 5 DDBDRO COC[C@]1(CNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CCC[NH2+]1 ZINC000323707569 409919393 /nfs/dbraw/zinc/91/93/93/409919393.db2.gz HOXLITKQIATYCT-KQQSKNTNSA-N 1 0 319.361 1.493 20 5 DDBDRO COC[C@@]1(CNC(=O)/C=C/c2ccccc2[N+](=O)[O-])CCC[NH2+]1 ZINC000324006641 409922918 /nfs/dbraw/zinc/92/29/18/409922918.db2.gz KEDQOUDNUVRLRI-WAVCKPEOSA-N 1 0 319.361 1.493 20 5 DDBDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000338422420 409975390 /nfs/dbraw/zinc/97/53/90/409975390.db2.gz AANRHAQWOIAZEP-CYBMUJFWSA-N 1 0 323.397 1.562 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(Cc2noc([C@@H]3CC[N@H+](C)C3)n2)c1 ZINC000350277004 409936994 /nfs/dbraw/zinc/93/69/94/409936994.db2.gz QSJVBQPPPVXNMJ-SNVBAGLBSA-N 1 0 318.333 1.996 20 5 DDBDRO CNC(=O)c1ccc(N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000338794062 410037557 /nfs/dbraw/zinc/03/75/57/410037557.db2.gz KLJIWFIEPCGNBQ-PHIMTYICSA-N 1 0 306.366 1.483 20 5 DDBDRO Cc1cc(NC(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000332239272 410005098 /nfs/dbraw/zinc/00/50/98/410005098.db2.gz RBTXQEMIXVAJGH-VXGBXAGGSA-N 1 0 304.350 1.976 20 5 DDBDRO CC[N@@H+]1C[C@@H](C)N(c2nccc(C(N)=O)c2[N+](=O)[O-])C[C@H]1C ZINC000357460896 410052468 /nfs/dbraw/zinc/05/24/68/410052468.db2.gz RRFGCWKBNDADCO-NXEZZACHSA-N 1 0 307.354 1.008 20 5 DDBDRO C[C@H]1C[N@H+](C)CCN1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000332311531 410061384 /nfs/dbraw/zinc/06/13/84/410061384.db2.gz MWRJETUMFGDJFB-LBPRGKRZSA-N 1 0 318.377 1.120 20 5 DDBDRO O=[N+]([O-])c1cc(F)c(C[NH2+][C@H](CO)C2CCOCC2)c(F)c1 ZINC000351755873 410210075 /nfs/dbraw/zinc/21/00/75/410210075.db2.gz JUXYPBVXZZTOBK-CQSZACIVSA-N 1 0 316.304 1.750 20 5 DDBDRO C[C@H](C[NH+]1CCCCC1)Nc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000298475069 410246086 /nfs/dbraw/zinc/24/60/86/410246086.db2.gz RMMZCFWHDLVONW-SNVBAGLBSA-N 1 0 307.354 1.375 20 5 DDBDRO CS[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])n2C)C[C@@H]1[NH+](C)C ZINC000332718675 410234057 /nfs/dbraw/zinc/23/40/57/410234057.db2.gz QQVVTAWONSKYRB-WDEREUQCSA-N 1 0 312.395 1.051 20 5 DDBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1C[C@@H](C)[NH+](C)[C@H](C)C1 ZINC000339618650 410333025 /nfs/dbraw/zinc/33/30/25/410333025.db2.gz HLNZEXCDKNZFDQ-JHJVBQTASA-N 1 0 320.393 1.946 20 5 DDBDRO C[N@H+](CC(=O)NCCc1ccccc1[N+](=O)[O-])[C@@H]1CCSC1 ZINC000343315509 410347045 /nfs/dbraw/zinc/34/70/45/410347045.db2.gz XVZUFLFTNLGGTJ-CYBMUJFWSA-N 1 0 323.418 1.691 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCOC[C@@H]2CC2CCC2)c1 ZINC000339781500 410453918 /nfs/dbraw/zinc/45/39/18/410453918.db2.gz YDYPPRRCIMALAK-ZFWWWQNUSA-N 1 0 324.381 1.043 20 5 DDBDRO Cc1c(NC(=O)[C@H](C)N2C[C@H]3C[NH2+]C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000359310564 410596068 /nfs/dbraw/zinc/59/60/68/410596068.db2.gz QQNMZQZJWQKPEI-RWMBFGLXSA-N 1 0 318.377 1.381 20 5 DDBDRO CCN1CCC([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000579943454 422859108 /nfs/dbraw/zinc/85/91/08/422859108.db2.gz LHHUVCJBZPHKTK-CQSZACIVSA-N 1 0 323.393 1.408 20 5 DDBDRO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCSC[C@H]2CO)cc1 ZINC000343725317 410649232 /nfs/dbraw/zinc/64/92/32/410649232.db2.gz NWWZVPQGYKALIR-CYBMUJFWSA-N 1 0 312.391 1.773 20 5 DDBDRO Cc1ccnc(N2CCC([N@H+]3CCO[C@H](C)C3)CC2)c1[N+](=O)[O-] ZINC000301246525 410685195 /nfs/dbraw/zinc/68/51/95/410685195.db2.gz ATDQRLAEXBCXIA-CYBMUJFWSA-N 1 0 320.393 1.988 20 5 DDBDRO CCCN(CCn1cc([N+](=O)[O-])cn1)CC[NH+]1CCCCC1 ZINC000353165437 410822989 /nfs/dbraw/zinc/82/29/89/410822989.db2.gz IJYNJSURIASQLT-UHFFFAOYSA-N 1 0 309.414 1.989 20 5 DDBDRO CN([C@H](C[NH3+])C1CC1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000360003353 410993924 /nfs/dbraw/zinc/99/39/24/410993924.db2.gz CSAVNUAKUNCGLX-MRVPVSSYSA-N 1 0 305.381 1.014 20 5 DDBDRO CC(C)[C@@H]1CN(C(=O)COc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000331184641 411003335 /nfs/dbraw/zinc/00/33/35/411003335.db2.gz YIYASLLSUYDWMI-HNNXBMFYSA-N 1 0 321.377 1.772 20 5 DDBDRO O=C(N[C@@H]1CC[N@H+](CC2CCCC2)C1)c1cc([N+](=O)[O-])n[nH]1 ZINC000353369160 410944155 /nfs/dbraw/zinc/94/41/55/410944155.db2.gz KCBNOMCVBKELDE-LLVKDONJSA-N 1 0 307.354 1.312 20 5 DDBDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)c1cc([N+](=O)[O-])nn1C ZINC000356472352 411048015 /nfs/dbraw/zinc/04/80/15/411048015.db2.gz ZQFJVRPMILOPNV-GHMZBOCLSA-N 1 0 309.370 1.321 20 5 DDBDRO Cn1nc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000356477869 411050298 /nfs/dbraw/zinc/05/02/98/411050298.db2.gz LJCIRFDFRWCVJS-LBPRGKRZSA-N 1 0 321.381 1.419 20 5 DDBDRO COc1ccc(OCCN2CC[N@H+](C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000331279235 411053987 /nfs/dbraw/zinc/05/39/87/411053987.db2.gz SRXRHTHBRZYIOX-LBPRGKRZSA-N 1 0 309.366 1.618 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@H]2CCC[C@H]([C@H]3CCOC3)C2)c1 ZINC000341413780 411043494 /nfs/dbraw/zinc/04/34/94/411043494.db2.gz YNNLZBAQFWWXNS-MELADBBJSA-N 1 0 308.382 1.976 20 5 DDBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000356606237 411104021 /nfs/dbraw/zinc/10/40/21/411104021.db2.gz VSGVTOIFSSXCHE-NSHDSACASA-N 1 0 311.386 1.661 20 5 DDBDRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000353710991 411116753 /nfs/dbraw/zinc/11/67/53/411116753.db2.gz LWTWHXFLVUQLAV-LLVKDONJSA-N 1 0 307.354 1.122 20 5 DDBDRO COC(=O)COc1ccc(C[NH2+]C[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000353736351 411119953 /nfs/dbraw/zinc/11/99/53/411119953.db2.gz JTMOQOHUNPKWSI-GFCCVEGCSA-N 1 0 324.333 1.273 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@@H](C)CO ZINC000131842943 196203673 /nfs/dbraw/zinc/20/36/73/196203673.db2.gz HYFSYQVTKTYMEF-JTQLQIEISA-N 1 0 311.338 1.245 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H]([NH3+])C2CC2)cc1C ZINC000133150526 196315791 /nfs/dbraw/zinc/31/57/91/196315791.db2.gz MYOXIUBGCMPFSY-LLVKDONJSA-N 1 0 313.379 1.227 20 5 DDBDRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)c1ccc([N+](=O)[O-])o1 ZINC000134069113 196358573 /nfs/dbraw/zinc/35/85/73/196358573.db2.gz QOCQLCURJKUPPO-LLVKDONJSA-N 1 0 311.338 1.155 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000417184992 225236475 /nfs/dbraw/zinc/23/64/75/225236475.db2.gz RPKANRZJFYEUTC-HNNXBMFYSA-N 1 0 322.365 1.484 20 5 DDBDRO C[C@H]1CN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC[C@@H]1[NH3+] ZINC000417238389 225260253 /nfs/dbraw/zinc/26/02/53/225260253.db2.gz YKXZBVLFPJASDR-FZMZJTMJSA-N 1 0 306.366 1.516 20 5 DDBDRO [NH3+]CC[C@@H]1CCCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000417239181 225260815 /nfs/dbraw/zinc/26/08/15/225260815.db2.gz ZUJBWKQCYWHJTH-AWEZNQCLSA-N 1 0 320.393 1.908 20 5 DDBDRO COC[C@@]1(C)CC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000296666009 226103385 /nfs/dbraw/zinc/10/33/85/226103385.db2.gz KJOKVXOJRGIMRP-ZBFHGGJFSA-N 1 0 324.377 1.693 20 5 DDBDRO C[C@@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)[C@@H](C)C[N@@H+]1CCO ZINC000419322454 226114480 /nfs/dbraw/zinc/11/44/80/226114480.db2.gz HKDGQTWFYUWDMQ-KGLIPLIRSA-N 1 0 323.393 1.361 20 5 DDBDRO C[C@@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)CC[N@@H+](C2CC2)C1 ZINC000296803079 226229668 /nfs/dbraw/zinc/22/96/68/226229668.db2.gz UJYZUUNVNROAIO-CYBMUJFWSA-N 1 0 320.393 1.173 20 5 DDBDRO CCc1nn(C)c(NC[C@H]2CCC[N@@H+]2CCOC)c1[N+](=O)[O-] ZINC000360967102 418556199 /nfs/dbraw/zinc/55/61/99/418556199.db2.gz WZIMKJVAABQKBE-LLVKDONJSA-N 1 0 311.386 1.413 20 5 DDBDRO CC(C)C[C@@H]1C(=O)NCCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000189819941 222058643 /nfs/dbraw/zinc/05/86/43/222058643.db2.gz MIGZUHHGJHDCOT-OAHLLOKOSA-N 1 0 321.377 1.820 20 5 DDBDRO C=Cn1cc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cn1 ZINC000193983978 222168702 /nfs/dbraw/zinc/16/87/02/222168702.db2.gz MFUWDVPSMQCTKO-CYBMUJFWSA-N 1 0 314.349 1.973 20 5 DDBDRO CC1(C)C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1[C@@H]1CCCO1 ZINC000367724746 418627797 /nfs/dbraw/zinc/62/77/97/418627797.db2.gz HFQBKASWMWDLAD-MELADBBJSA-N 1 0 324.381 1.042 20 5 DDBDRO CCCCNC(=O)[C@H](C)N1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375399829 418634423 /nfs/dbraw/zinc/63/44/23/418634423.db2.gz AXNSRNNSIYELME-QWHCGFSZSA-N 1 0 323.397 1.733 20 5 DDBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000368133898 418694433 /nfs/dbraw/zinc/69/44/33/418694433.db2.gz IDLDZDDNNXPULU-REBRKWNGSA-N 1 0 303.362 1.288 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000371446961 418790938 /nfs/dbraw/zinc/79/09/38/418790938.db2.gz IENKFCGEZMSPCE-STQMWFEESA-N 1 0 308.382 1.967 20 5 DDBDRO CN(C(=O)CCNc1ccccc1[N+](=O)[O-])[C@H]1CCC[NH2+]CC1 ZINC000364667638 418797707 /nfs/dbraw/zinc/79/77/07/418797707.db2.gz UAYQMHCSUVCSRB-ZDUSSCGKSA-N 1 0 320.393 1.997 20 5 DDBDRO O=C(c1cc([N+](=O)[O-])cc(F)c1F)N1CC[NH+]2CCC1CC2 ZINC000364934004 418825093 /nfs/dbraw/zinc/82/50/93/418825093.db2.gz IOBKNFCJNDALLF-UHFFFAOYSA-N 1 0 311.288 1.793 20 5 DDBDRO C[N@@H+]1CC[C@@H](CNc2ncc([N+](=O)[O-])cn2)[C@H]1c1cccs1 ZINC000364961216 418828451 /nfs/dbraw/zinc/82/84/51/418828451.db2.gz YAOHNDLEYFUKHU-GWCFXTLKSA-N 1 0 319.390 2.551 20 5 DDBDRO CNC(=O)[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411186086 418877809 /nfs/dbraw/zinc/87/78/09/418877809.db2.gz IRDVWCIBKFJUMQ-ZDUSSCGKSA-N 1 0 320.349 1.134 20 5 DDBDRO C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000365572347 418877798 /nfs/dbraw/zinc/87/77/98/418877798.db2.gz LEFMFKBVTJFPDQ-HKUMRIAESA-N 1 0 323.418 1.912 20 5 DDBDRO O=[N+]([O-])c1cnc2ccc(N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)nn21 ZINC000372703428 418894119 /nfs/dbraw/zinc/89/41/19/418894119.db2.gz IDOIEHMCTDHWSJ-WDEREUQCSA-N 1 0 302.338 1.676 20 5 DDBDRO CC(C)(C)[C@@H](CO)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411509424 418911089 /nfs/dbraw/zinc/91/10/89/418911089.db2.gz UWURYJBRLVLPSB-CYBMUJFWSA-N 1 0 309.366 1.920 20 5 DDBDRO [NH3+]CCCN(Cc1ccccc1)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000423588316 227556867 /nfs/dbraw/zinc/55/68/67/227556867.db2.gz DTNGTTVHKIAZKD-UHFFFAOYSA-N 1 0 303.322 1.309 20 5 DDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@](O)(C2CC2)C1 ZINC000365839909 418914986 /nfs/dbraw/zinc/91/49/86/418914986.db2.gz UBWWCQCCKPVOTO-BDJLRTHQSA-N 1 0 319.361 1.769 20 5 DDBDRO Cc1ccnc(N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1[N+](=O)[O-] ZINC000372957580 418916355 /nfs/dbraw/zinc/91/63/55/418916355.db2.gz ZUEOVVYAFGBGQL-CYBMUJFWSA-N 1 0 319.409 1.879 20 5 DDBDRO Cc1ccc([C@@H](C)NC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)cc1[N+](=O)[O-] ZINC000417822199 419341288 /nfs/dbraw/zinc/34/12/88/419341288.db2.gz FFYZXBJFQGFLJK-KYOSRNDESA-N 1 0 318.377 1.968 20 5 DDBDRO CNC(=O)[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000420968472 419389363 /nfs/dbraw/zinc/38/93/63/419389363.db2.gz BXCRZZIATVKKSJ-GFCCVEGCSA-N 1 0 321.377 1.950 20 5 DDBDRO COc1ccc(OCC[N@@H+]2C[C@H](C)C[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC000420943302 419372476 /nfs/dbraw/zinc/37/24/76/419372476.db2.gz POQPOECQNYKBRA-OLZOCXBDSA-N 1 0 324.377 1.933 20 5 DDBDRO C[C@@H](NC(=O)NCC[C@@H]1CC[NH2+]C1)c1ccccc1[N+](=O)[O-] ZINC000417987053 419449294 /nfs/dbraw/zinc/44/92/94/419449294.db2.gz QXGLRFZYBJBXKY-NEPJUHHUSA-N 1 0 306.366 1.955 20 5 DDBDRO Cc1c(CNC(=O)N2C[C@H](C)[NH2+]C[C@H]2C)cccc1[N+](=O)[O-] ZINC000418077346 419512152 /nfs/dbraw/zinc/51/21/52/419512152.db2.gz HPUFCNUQTHVHSU-WDEREUQCSA-N 1 0 306.366 1.795 20 5 DDBDRO Cc1c(CNC(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000418081628 419516379 /nfs/dbraw/zinc/51/63/79/419516379.db2.gz ODVRNWLRKRIUNM-GWCFXTLKSA-N 1 0 306.366 1.782 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)NCCCC[NH+](CC)CC)n1 ZINC000427618411 419696378 /nfs/dbraw/zinc/69/63/78/419696378.db2.gz OZQNNHGNMOMYOH-UHFFFAOYSA-N 1 0 311.386 1.663 20 5 DDBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000418351670 419732798 /nfs/dbraw/zinc/73/27/98/419732798.db2.gz ZWZCFSGQLPZABT-AWEZNQCLSA-N 1 0 320.393 1.778 20 5 DDBDRO O=C(N[C@@H]1CC[NH2+]C1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000418386688 419762182 /nfs/dbraw/zinc/76/21/82/419762182.db2.gz QHAZFDZQGWHIJS-UONOGXRCSA-N 1 0 318.377 1.846 20 5 DDBDRO CC(C)[C@@H]([NH3+])CNC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000418404170 419777620 /nfs/dbraw/zinc/77/76/20/419777620.db2.gz JYZMABURJJNXIV-ZDUSSCGKSA-N 1 0 322.365 1.482 20 5 DDBDRO COC[C@@]1(CNC/C=C\c2ccccc2[N+](=O)[O-])CCC[NH2+]1 ZINC000414945944 419886807 /nfs/dbraw/zinc/88/68/07/419886807.db2.gz RORGJJMGLKWGMW-OUOZUETKSA-N 1 0 305.378 1.966 20 5 DDBDRO COCC[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H]1CCCSC1 ZINC000433195554 229171204 /nfs/dbraw/zinc/17/12/04/229171204.db2.gz WINCLHJXUMMCDX-GFCCVEGCSA-N 1 0 314.411 1.635 20 5 DDBDRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000418677271 419930449 /nfs/dbraw/zinc/93/04/49/419930449.db2.gz UPRPIXBEVCRTCA-FICVDOATSA-N 1 0 316.361 1.487 20 5 DDBDRO C[C@H]1C[C@H]1[N@@H+]1CCN(CCn2ccc([N+](=O)[O-])n2)C[C@@H](C)C1 ZINC000429027297 419963411 /nfs/dbraw/zinc/96/34/11/419963411.db2.gz DRMGBCUDPQHEQX-HZSPNIEDSA-N 1 0 307.398 1.453 20 5 DDBDRO CC(C)(NC(=O)NC[C@@H]1C[NH2+]CCO1)c1ccc([N+](=O)[O-])cc1 ZINC000418767607 419974375 /nfs/dbraw/zinc/97/43/75/419974375.db2.gz OEHPCHYITYHEQL-ZDUSSCGKSA-N 1 0 322.365 1.118 20 5 DDBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000418785429 419983312 /nfs/dbraw/zinc/98/33/12/419983312.db2.gz HYFKEFRYTOFRKT-TZMCWYRMSA-N 1 0 320.393 1.906 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000415296786 420011643 /nfs/dbraw/zinc/01/16/43/420011643.db2.gz NHSXPCCMMKIXBR-LBPRGKRZSA-N 1 0 321.381 1.237 20 5 DDBDRO CCOC(=O)c1cc(C(=O)N[C@H](C)[C@H](C)[NH3+])cc([N+](=O)[O-])c1 ZINC000423675930 420124328 /nfs/dbraw/zinc/12/43/28/420124328.db2.gz IFGVGZWXIYLGCJ-DTWKUNHWSA-N 1 0 309.322 1.237 20 5 DDBDRO O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[C@@H]1CC12CC[NH2+]CC2 ZINC000423724767 420142853 /nfs/dbraw/zinc/14/28/53/420142853.db2.gz NJJWWVZUFFMZMZ-NSHDSACASA-N 1 0 315.333 1.799 20 5 DDBDRO O=C(NC[C@H]1C[NH2+]CCCO1)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415633883 420130743 /nfs/dbraw/zinc/13/07/43/420130743.db2.gz RJWPHBVULFISDF-GFCCVEGCSA-N 1 0 312.301 1.234 20 5 DDBDRO COc1cccc(C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1[N+](=O)[O-] ZINC000423697940 420131228 /nfs/dbraw/zinc/13/12/28/420131228.db2.gz OBBLJJOQYRDXCY-PWSUYJOCSA-N 1 0 305.334 1.427 20 5 DDBDRO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000415637123 420131596 /nfs/dbraw/zinc/13/15/96/420131596.db2.gz YWONGMIPAGPISP-ZJUUUORDSA-N 1 0 308.313 1.807 20 5 DDBDRO Cc1c(CC(=O)N[C@H](CC[NH3+])C(F)F)cccc1[N+](=O)[O-] ZINC000423707998 420135111 /nfs/dbraw/zinc/13/51/11/420135111.db2.gz PCWORIXNIWJQNG-SNVBAGLBSA-N 1 0 301.293 1.544 20 5 DDBDRO O=[N+]([O-])c1cccc(N2CC[NH+](CC[C@H]3CC[NH2+]C3)CC2)c1 ZINC000420318207 420203304 /nfs/dbraw/zinc/20/33/04/420203304.db2.gz NUXPHRMFFNQIIE-CQSZACIVSA-N 1 0 304.394 1.716 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CC[C@@H](C[NH3+])C1 ZINC000430925376 420208347 /nfs/dbraw/zinc/20/83/47/420208347.db2.gz KXBSXVNKJFWYJG-MNOVXSKESA-N 1 0 322.365 1.211 20 5 DDBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC[C@H](C[NH3+])C1 ZINC000430605984 420156726 /nfs/dbraw/zinc/15/67/26/420156726.db2.gz UCUVPKWSSUWJQE-NWDGAFQWSA-N 1 0 306.366 1.593 20 5 DDBDRO CCOC(=O)c1ccnc(N2CC[C@@H]3C[NH2+]C[C@H]3C2)c1[N+](=O)[O-] ZINC000420257289 420170793 /nfs/dbraw/zinc/17/07/93/420170793.db2.gz JRXAGUMDSYDXAA-MNOVXSKESA-N 1 0 320.349 1.212 20 5 DDBDRO CCOC(=O)c1ccnc(N2CC[C@H]3C[NH2+]C[C@H]3C2)c1[N+](=O)[O-] ZINC000420257290 420171272 /nfs/dbraw/zinc/17/12/72/420171272.db2.gz JRXAGUMDSYDXAA-QWRGUYRKSA-N 1 0 320.349 1.212 20 5 DDBDRO C[NH2+]Cc1ccc(NC(=O)NCCn2cc([N+](=O)[O-])cn2)cc1 ZINC000415979600 420229880 /nfs/dbraw/zinc/22/98/80/420229880.db2.gz DRMBMSBJWQKVOS-UHFFFAOYSA-N 1 0 318.337 1.332 20 5 DDBDRO [NH3+]C[C@@H](NC(=O)COc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000423951639 420280897 /nfs/dbraw/zinc/28/08/97/420280897.db2.gz ZDZGDGFJTMMUDJ-GFCCVEGCSA-N 1 0 307.350 1.607 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000423957326 420283081 /nfs/dbraw/zinc/28/30/81/420283081.db2.gz LTNLLOKWMQZFMH-GFCCVEGCSA-N 1 0 309.370 1.124 20 5 DDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000420340452 420219867 /nfs/dbraw/zinc/21/98/67/420219867.db2.gz PHJKYMJDRJYQFN-IAQYHMDHSA-N 1 0 324.356 1.555 20 5 DDBDRO C[NH+](C)C1(CNC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000416305897 420320178 /nfs/dbraw/zinc/32/01/78/420320178.db2.gz DACWARXMZYPTBY-UHFFFAOYSA-N 1 0 319.361 1.768 20 5 DDBDRO CN(C(=O)c1c([N+](=O)[O-])cnn1C)C(C)(C)C[NH+]1CCCC1 ZINC000416332487 420333998 /nfs/dbraw/zinc/33/39/98/420333998.db2.gz HLJBTMDJUGAFAC-UHFFFAOYSA-N 1 0 309.370 1.275 20 5 DDBDRO CNC(=O)c1ccc(N(C)C[C@@H]2CCC[N@@H+]2C)c([N+](=O)[O-])c1 ZINC000420629996 420335118 /nfs/dbraw/zinc/33/51/18/420335118.db2.gz DATJHWNBJKYMSK-LBPRGKRZSA-N 1 0 306.366 1.485 20 5 DDBDRO CC[C@@H]([NH3+])CNS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000420469387 420305106 /nfs/dbraw/zinc/30/51/06/420305106.db2.gz PFGZJCGTKAYBTQ-SNVBAGLBSA-N 1 0 301.368 1.227 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000444156525 230055794 /nfs/dbraw/zinc/05/57/94/230055794.db2.gz LVHQSGVXYPZDRR-WFASDCNBSA-N 1 0 305.334 1.219 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CCn2ccnc2C1 ZINC000446329325 230253534 /nfs/dbraw/zinc/25/35/34/230253534.db2.gz DDVVPSNVMOWQAM-NSHDSACASA-N 1 0 300.318 1.845 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000450780378 420528037 /nfs/dbraw/zinc/52/80/37/420528037.db2.gz QDCTYUNKSBJJPW-XHDPSFHLSA-N 1 0 319.361 1.830 20 5 DDBDRO CC1(C)CCC[N@@H+]1CCNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000457079747 420605882 /nfs/dbraw/zinc/60/58/82/420605882.db2.gz SMIUVLAZHQGMDE-UHFFFAOYSA-N 1 0 320.393 1.997 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)n1 ZINC000450865650 420547518 /nfs/dbraw/zinc/54/75/18/420547518.db2.gz SJMYVXLANPDAQL-YUTCNCBUSA-N 1 0 306.366 1.729 20 5 DDBDRO C[C@@H]1CN(C(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000493414990 420843567 /nfs/dbraw/zinc/84/35/67/420843567.db2.gz GDWOMIQLKGBEBY-KMOZTTGJSA-N 1 0 307.325 1.943 20 5 DDBDRO O=C(NCC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)C1CC1 ZINC000447515972 420777647 /nfs/dbraw/zinc/77/76/47/420777647.db2.gz MQPOABUKOVMZGZ-OLZOCXBDSA-N 1 0 321.381 1.391 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])NCc1nc(N(C)C)no1 ZINC000449257990 420976512 /nfs/dbraw/zinc/97/65/12/420976512.db2.gz NYQXMQCTRHNPIV-SNVBAGLBSA-N 1 0 305.338 1.765 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000449641214 421042754 /nfs/dbraw/zinc/04/27/54/421042754.db2.gz UQERCEZBMPLSCI-GHMZBOCLSA-N 1 0 307.350 1.851 20 5 DDBDRO CNc1nc(C(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000456039688 421092649 /nfs/dbraw/zinc/09/26/49/421092649.db2.gz MVBYDWHFLRVSQS-CYBMUJFWSA-N 1 0 321.381 1.444 20 5 DDBDRO CNc1nc(C(=O)N[C@H](C)C[N@H+](C)C(C)C)ccc1[N+](=O)[O-] ZINC000456065406 421094313 /nfs/dbraw/zinc/09/43/13/421094313.db2.gz NAOZFZGZIOOYMD-SNVBAGLBSA-N 1 0 309.370 1.490 20 5 DDBDRO COc1cc(OCC(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000449715343 421066440 /nfs/dbraw/zinc/06/64/40/421066440.db2.gz JAZFJDFKDIWEPA-GHMZBOCLSA-N 1 0 323.349 1.226 20 5 DDBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000449733728 421071532 /nfs/dbraw/zinc/07/15/32/421071532.db2.gz PYDMCUWUSHIMTN-DZGCQCFKSA-N 1 0 303.362 1.738 20 5 DDBDRO COc1ccc(CN2CC[N@H+](CCO)C[C@H]2C)cc1[N+](=O)[O-] ZINC000449785785 421082012 /nfs/dbraw/zinc/08/20/12/421082012.db2.gz JCGBBDYBOBAFSA-GFCCVEGCSA-N 1 0 309.366 1.102 20 5 DDBDRO COc1ccc(CN2CC[N@H+](CCO)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000449785786 421082751 /nfs/dbraw/zinc/08/27/51/421082751.db2.gz JCGBBDYBOBAFSA-LBPRGKRZSA-N 1 0 309.366 1.102 20 5 DDBDRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000456335297 421143657 /nfs/dbraw/zinc/14/36/57/421143657.db2.gz AJDZELPTNPCLNK-CYBMUJFWSA-N 1 0 320.393 1.949 20 5 DDBDRO C[NH+](C)C1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C1 ZINC000450297991 421178534 /nfs/dbraw/zinc/17/85/34/421178534.db2.gz KUQXLCVHJOJLTA-UHFFFAOYSA-N 1 0 315.333 1.167 20 5 DDBDRO Nc1ncccc1C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000450569994 421211419 /nfs/dbraw/zinc/21/14/19/421211419.db2.gz OSNOIKFLBHOKLI-LBPRGKRZSA-N 1 0 314.349 1.653 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000560624416 421284503 /nfs/dbraw/zinc/28/45/03/421284503.db2.gz MVWXQHPPUFWHJQ-WCQYABFASA-N 1 0 319.361 1.912 20 5 DDBDRO CC(C)(C)[NH+]1CCC(NC(=O)c2ccnc(N)c2[N+](=O)[O-])CC1 ZINC000548387850 421431736 /nfs/dbraw/zinc/43/17/36/421431736.db2.gz SROVNBVTPUYMDG-UHFFFAOYSA-N 1 0 321.381 1.565 20 5 DDBDRO Cc1c(NC(=O)CCN(C)[C@@H]2CC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000563153034 421464179 /nfs/dbraw/zinc/46/41/79/421464179.db2.gz NSONFGGTAYMSHL-GFCCVEGCSA-N 1 0 306.366 1.526 20 5 DDBDRO CNc1ccc(C(=O)N2CC[C@@H](OC)C[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000563159835 421465559 /nfs/dbraw/zinc/46/55/59/421465559.db2.gz UBQSUTFCWAVGLY-VXGBXAGGSA-N 1 0 322.365 1.215 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1CN1CC[N@H+](C)C2(CCCCC2)C1 ZINC000516978464 421585978 /nfs/dbraw/zinc/58/59/78/421585978.db2.gz GNMXVLRPUIWNDO-UHFFFAOYSA-N 1 0 307.398 1.779 20 5 DDBDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])cn2C)C[C@@H](C)C1 ZINC000554128841 421633359 /nfs/dbraw/zinc/63/33/59/421633359.db2.gz SWZXXCGQGZBWGH-SCRDCRAPSA-N 1 0 320.393 1.736 20 5 DDBDRO CC(C)C[C@](C)(C[NH3+])NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000570321883 421639047 /nfs/dbraw/zinc/63/90/47/421639047.db2.gz HZIURTDXXSXDNI-OAHLLOKOSA-N 1 0 323.349 1.817 20 5 DDBDRO CN(C(=O)C[NH2+][C@@H]1C[C@H](O)C1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000570525069 421651400 /nfs/dbraw/zinc/65/14/00/421651400.db2.gz GSFCHURPCLXOIW-OLZOCXBDSA-N 1 0 307.350 1.307 20 5 DDBDRO CC(C)(C)[C@H](C[NH3+])NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000571073676 421687226 /nfs/dbraw/zinc/68/72/26/421687226.db2.gz CFZAUNURQXFIRH-LBPRGKRZSA-N 1 0 323.349 1.469 20 5 DDBDRO CNc1ccc(C(=O)NCCNc2cc[nH+]cc2)cc1[N+](=O)[O-] ZINC000534522416 421693008 /nfs/dbraw/zinc/69/30/08/421693008.db2.gz JONPILWQHHWPBM-UHFFFAOYSA-N 1 0 315.333 1.295 20 5 DDBDRO COc1ccc(CNC2(CCO)CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000519832520 421733712 /nfs/dbraw/zinc/73/37/12/421733712.db2.gz IYOMXNOQMJULIC-UHFFFAOYSA-N 1 0 323.393 1.540 20 5 DDBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000522306429 421823816 /nfs/dbraw/zinc/82/38/16/421823816.db2.gz PDRSBBZZUDAVPY-LBPRGKRZSA-N 1 0 304.350 1.631 20 5 DDBDRO CN(C)C(=O)CCC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000572553062 421798965 /nfs/dbraw/zinc/79/89/65/421798965.db2.gz SQSWWZXUTZRNME-UHFFFAOYSA-N 1 0 320.393 1.585 20 5 DDBDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000580929553 421863490 /nfs/dbraw/zinc/86/34/90/421863490.db2.gz AELAQLHYCOGKQJ-NSHDSACASA-N 1 0 309.370 1.702 20 5 DDBDRO Cc1ncc(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])s1 ZINC000574191304 422073834 /nfs/dbraw/zinc/07/38/34/422073834.db2.gz BRNUKDPYCAWTLC-LLVKDONJSA-N 1 0 323.374 1.889 20 5 DDBDRO COc1ccc(CN2CC[NH2+]C[C@@H]2C(F)F)cc1[N+](=O)[O-] ZINC000574756872 422173995 /nfs/dbraw/zinc/17/39/95/422173995.db2.gz GDHCXOZBZSBNKX-LLVKDONJSA-N 1 0 301.293 1.642 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CC1(C(F)F)CC1 ZINC000574566666 422132854 /nfs/dbraw/zinc/13/28/54/422132854.db2.gz SEMBHBFMIZFVQR-SNVBAGLBSA-N 1 0 316.304 1.969 20 5 DDBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]C[C@H](O)CC(F)(F)F)nc2c1 ZINC000582236945 422136220 /nfs/dbraw/zinc/13/62/20/422136220.db2.gz VAKPNFDZLYMFBM-MRVPVSSYSA-N 1 0 318.255 1.874 20 5 DDBDRO O=C([C@H]1CCCCC[NH2+]1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000575060580 422249556 /nfs/dbraw/zinc/24/95/56/422249556.db2.gz FAVWTLDLXTUZCE-CYBMUJFWSA-N 1 0 321.381 1.487 20 5 DDBDRO CNc1nccc(C(=O)N2CCC[C@H]([NH2+]C(C)C)C2)c1[N+](=O)[O-] ZINC000594420967 422348140 /nfs/dbraw/zinc/34/81/40/422348140.db2.gz PHURCENVAMTLDA-NSHDSACASA-N 1 0 321.381 1.634 20 5 DDBDRO CNc1nccc(C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)c1[N+](=O)[O-] ZINC000597861295 422392182 /nfs/dbraw/zinc/39/21/82/422392182.db2.gz SKUFZEAFGXDXIM-SNVBAGLBSA-N 1 0 321.381 1.634 20 5 DDBDRO Nc1ccc(NC[C@H]2CC[N@@H+]2C2CCCCC2)nc1[N+](=O)[O-] ZINC000599126990 422403065 /nfs/dbraw/zinc/40/30/65/422403065.db2.gz KUXAFLKRKZNFMN-GFCCVEGCSA-N 1 0 305.382 2.391 20 5 DDBDRO C[NH+](C)[C@H](CNC(=O)CCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000087154756 263331683 /nfs/dbraw/zinc/33/16/83/263331683.db2.gz GKCVZESXHMLVAZ-OAHLLOKOSA-N 1 0 305.378 1.984 20 5 DDBDRO CC1CC[NH+](CCCCNC(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000299236582 271009175 /nfs/dbraw/zinc/00/91/75/271009175.db2.gz UVINPQGSPCLJNF-UHFFFAOYSA-N 1 0 323.397 1.420 20 5 DDBDRO O=C(/C=C\c1ccccc1[N+](=O)[O-])N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000319744621 271024026 /nfs/dbraw/zinc/02/40/26/271024026.db2.gz UBNOSHUXSVWCQH-QJTIAFMVSA-N 1 0 301.346 1.676 20 5 DDBDRO CC[NH+](CC)C[C@@H](C)NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000341691093 271172481 /nfs/dbraw/zinc/17/24/81/271172481.db2.gz BBXOTGUADMPNNG-SNVBAGLBSA-N 1 0 319.365 1.931 20 5 DDBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCCS(=O)(=O)C2)c(F)c1 ZINC000342196505 271337072 /nfs/dbraw/zinc/33/70/72/271337072.db2.gz GPIKEZJUVNDZNC-SNVBAGLBSA-N 1 0 316.354 1.648 20 5 DDBDRO CCCc1n[nH]c(C(=O)N[C@@H](C)C[NH+](CC)CC)c1[N+](=O)[O-] ZINC000345602908 272288956 /nfs/dbraw/zinc/28/89/56/272288956.db2.gz QJUZZZQGGWKXHS-JTQLQIEISA-N 1 0 311.386 1.731 20 5 DDBDRO CCCN(C(=O)Nc1ccncc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000415379408 273606707 /nfs/dbraw/zinc/60/67/07/273606707.db2.gz DTOOGNLAGSPIAH-UHFFFAOYSA-N 1 0 307.354 1.408 20 5 DDBDRO COC(=O)c1cc(N2CC[C@H]3C[NH2+]C[C@@H]3C2)cc(C)c1[N+](=O)[O-] ZINC000420253967 274000507 /nfs/dbraw/zinc/00/05/07/274000507.db2.gz FNPQQVLJZMPFSC-NWDGAFQWSA-N 1 0 319.361 1.736 20 5 DDBDRO COc1cc(N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)c([N+](=O)[O-])cc1F ZINC000301646497 274096940 /nfs/dbraw/zinc/09/69/40/274096940.db2.gz ICIFIEAJOIQGEX-TZMCWYRMSA-N 1 0 311.313 1.262 20 5 DDBDRO O=[N+]([O-])c1c(N2CC[NH+](C3CCC3)CC2)nc2sccn21 ZINC000264975315 275032698 /nfs/dbraw/zinc/03/26/98/275032698.db2.gz QDLBQSLNSCSQKY-UHFFFAOYSA-N 1 0 307.379 1.979 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000433847087 276041839 /nfs/dbraw/zinc/04/18/39/276041839.db2.gz CMMMJRVOHNNBAT-QWRGUYRKSA-N 1 0 321.381 1.798 20 5 DDBDRO CCNc1ccc(C(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000411038867 276271510 /nfs/dbraw/zinc/27/15/10/276271510.db2.gz CCFVPAJAZKLBGO-SWLSCSKDSA-N 1 0 318.377 1.803 20 5 DDBDRO C[NH2+]CCNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000237094938 277025034 /nfs/dbraw/zinc/02/50/34/277025034.db2.gz XBSKWIAMWGMXDV-UHFFFAOYSA-N 1 0 302.128 1.307 20 5 DDBDRO C[NH2+]CCCN(C)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000420391633 277267463 /nfs/dbraw/zinc/26/74/63/277267463.db2.gz SNPZDNYLVVDICE-AWEZNQCLSA-N 1 0 306.366 1.241 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@H](C)CC[NH3+])c1C ZINC000447256396 278865476 /nfs/dbraw/zinc/86/54/76/278865476.db2.gz KYMWINCAPAQRQF-SECBINFHSA-N 1 0 301.368 1.227 20 5 DDBDRO Cn1c(C(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC000449200537 279305682 /nfs/dbraw/zinc/30/56/82/279305682.db2.gz HLGWXTPEKFYWDQ-RYUDHWBXSA-N 1 0 306.366 1.395 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](CO)[C@H]1CCOC1 ZINC000449303677 279381971 /nfs/dbraw/zinc/38/19/71/279381971.db2.gz YYCUQFDQMPOWHF-SNPRPXQTSA-N 1 0 308.378 1.760 20 5 DDBDRO C[C@H]([NH3+])[C@@H]1CCCCN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000430646237 289777358 /nfs/dbraw/zinc/77/73/58/289777358.db2.gz DRNWBZMVZHUZLP-WFASDCNBSA-N 1 0 320.393 1.759 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](OC)C[C@H]1C[NH3+] ZINC000572833902 304559027 /nfs/dbraw/zinc/55/90/27/304559027.db2.gz QLQQEKIMSQQLPW-RYUDHWBXSA-N 1 0 323.349 1.182 20 5 DDBDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1c([N+](=O)[O-])cnn1C ZINC000165683056 298216045 /nfs/dbraw/zinc/21/60/45/298216045.db2.gz LLLJFOBSZBXJRR-GFCCVEGCSA-N 1 0 323.397 1.713 20 5 DDBDRO Cc1cc([C@H]2CCC[N@H+](CCn3cc([N+](=O)[O-])cn3)C2)[nH]n1 ZINC000363171562 300226020 /nfs/dbraw/zinc/22/60/20/300226020.db2.gz ZSEVUGJGSZWQSE-LBPRGKRZSA-N 1 0 304.354 1.702 20 5 DDBDRO Cc1ccc(CN2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1[N+](=O)[O-] ZINC000367461260 300847732 /nfs/dbraw/zinc/84/77/32/300847732.db2.gz UBWYAPNUYYCMIM-WBVHZDCISA-N 1 0 319.405 1.934 20 5 DDBDRO C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000368497261 301040969 /nfs/dbraw/zinc/04/09/69/301040969.db2.gz XBSQUIIMJXFIBB-LVQVYYBASA-N 1 0 317.389 1.851 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)COc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000368587933 301059102 /nfs/dbraw/zinc/05/91/02/301059102.db2.gz BUQQVMYWXKYPHJ-TZMCWYRMSA-N 1 0 319.361 1.526 20 5 DDBDRO Nc1ccc(C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1[N+](=O)[O-] ZINC000368611924 301063454 /nfs/dbraw/zinc/06/34/54/301063454.db2.gz JNAWVVSVMCUDSH-QJPTWQEYSA-N 1 0 304.350 1.376 20 5 DDBDRO COc1cc(C(=O)N2[C@@H]3CC[C@H]2C[C@H]([NH3+])C3)ccc1[N+](=O)[O-] ZINC000368819878 301092397 /nfs/dbraw/zinc/09/23/97/301092397.db2.gz YSDFSGBXYUXVLR-CNDDSTCGSA-N 1 0 305.334 1.698 20 5 DDBDRO NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000368964176 301111313 /nfs/dbraw/zinc/11/13/13/301111313.db2.gz NDCQJJJAVVZLIA-XUJVJEKNSA-N 1 0 319.361 1.559 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@@]3(CCCCO3)C2)c1 ZINC000370095054 301274917 /nfs/dbraw/zinc/27/49/17/301274917.db2.gz RDARFGGVVWUZON-GJZGRUSLSA-N 1 0 324.381 1.187 20 5 DDBDRO COC[C@@H](O)C[N@H+]1CC=C(c2cc(C)c(N)c([N+](=O)[O-])c2)CC1 ZINC000370873997 301399095 /nfs/dbraw/zinc/39/90/95/301399095.db2.gz WRUUKVJQAGMCSL-AWEZNQCLSA-N 1 0 321.377 1.582 20 5 DDBDRO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000372098984 301525604 /nfs/dbraw/zinc/52/56/04/301525604.db2.gz PLTPRVJSNMOFJP-QXMXGUDHSA-N 1 0 319.361 1.844 20 5 DDBDRO NC(=O)c1ccc(C[NH2+][C@H]2CCO[C@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000372810274 301617362 /nfs/dbraw/zinc/61/73/62/301617362.db2.gz PBVVIWYAFSAWSJ-JSGCOSHPSA-N 1 0 305.334 1.351 20 5 DDBDRO Cc1ccc(S(=O)(=O)N2CC[NH2+][C@@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000440801443 301673433 /nfs/dbraw/zinc/67/34/33/301673433.db2.gz ALIUUAAPAJQYJC-QWRGUYRKSA-N 1 0 313.379 1.274 20 5 DDBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000377058242 302138953 /nfs/dbraw/zinc/13/89/53/302138953.db2.gz VKAYDHXURRATFT-MNOVXSKESA-N 1 0 306.322 1.052 20 5 DDBDRO C[C@@H]1COCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000378286045 302308389 /nfs/dbraw/zinc/30/83/89/302308389.db2.gz JDUYRTKVUSPYRD-LBPRGKRZSA-N 1 0 307.350 1.892 20 5 DDBDRO C[C@@H]1C[C@@H](C)N(C(=O)Cc2ccccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000397227585 302352718 /nfs/dbraw/zinc/35/27/18/302352718.db2.gz CSOWWNBTAPZNHD-BZPMIXESSA-N 1 0 305.378 1.969 20 5 DDBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])nn1C)[NH+]1CCC(C)CC1 ZINC000356458747 306852204 /nfs/dbraw/zinc/85/22/04/306852204.db2.gz PBFJGSRACFMPAX-LLVKDONJSA-N 1 0 309.370 1.179 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000523545935 302898252 /nfs/dbraw/zinc/89/82/52/302898252.db2.gz YIOXUIMMHCJLDF-GFCCVEGCSA-N 1 0 306.366 1.491 20 5 DDBDRO NC(=O)c1ccnc(N2CCC([NH+]3CCCC3)CC2)c1[N+](=O)[O-] ZINC000357328107 306876595 /nfs/dbraw/zinc/87/65/95/306876595.db2.gz WJCSZIFDVDBPSU-UHFFFAOYSA-N 1 0 319.365 1.153 20 5 DDBDRO COc1ccc(CC(=O)NCC[N@H+]2CC=CCC2)cc1[N+](=O)[O-] ZINC000530306825 303191968 /nfs/dbraw/zinc/19/19/68/303191968.db2.gz MPOCPYRCXKZMPG-UHFFFAOYSA-N 1 0 319.361 1.524 20 5 DDBDRO CS[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cn2)C[C@@H]1[NH+](C)C ZINC000535729416 303349813 /nfs/dbraw/zinc/34/98/13/303349813.db2.gz WIXVJABSVVLKLZ-NWDGAFQWSA-N 1 0 310.379 1.107 20 5 DDBDRO CCCN(CCC[NH+](C)C)c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000357665799 306904420 /nfs/dbraw/zinc/90/44/20/306904420.db2.gz PGTCCSWOFKECDC-UHFFFAOYSA-N 1 0 309.370 1.257 20 5 DDBDRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000562797026 303894243 /nfs/dbraw/zinc/89/42/43/303894243.db2.gz PJSINXHAFDTHIH-WCQYABFASA-N 1 0 306.366 1.864 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000562978904 303905334 /nfs/dbraw/zinc/90/53/34/303905334.db2.gz HLCSPIMTSPAFFN-UHFFFAOYSA-N 1 0 318.308 1.970 20 5 DDBDRO C[N@@H+]1CC[C@@H](CNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000362582532 307020930 /nfs/dbraw/zinc/02/09/30/307020930.db2.gz ZMLNMHIDHROUOH-VIFPVBQESA-N 1 0 313.304 1.483 20 5 DDBDRO Cc1cc(N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)ncc1[N+](=O)[O-] ZINC000364887498 307052484 /nfs/dbraw/zinc/05/24/84/307052484.db2.gz JEHNEPJRDCNOHA-ZDUSSCGKSA-N 1 0 319.409 1.879 20 5 DDBDRO CC[N@@H+]1CCCN(C(=O)Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000370813785 307136908 /nfs/dbraw/zinc/13/69/08/307136908.db2.gz BQKSMWCVXNIIMP-UHFFFAOYSA-N 1 0 305.378 2.000 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000371019377 307141117 /nfs/dbraw/zinc/14/11/17/307141117.db2.gz RMDYSJIXTSQSGW-QWHCGFSZSA-N 1 0 321.381 1.090 20 5 DDBDRO CC[C@H](C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)[NH+](C)C ZINC000373259333 307182944 /nfs/dbraw/zinc/18/29/44/307182944.db2.gz VIWXNSVHXNYGMG-GFCCVEGCSA-N 1 0 309.370 1.295 20 5 DDBDRO CCN1C[C@H](Nc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)CC1=O ZINC000391519432 307294250 /nfs/dbraw/zinc/29/42/50/307294250.db2.gz RNPLBQBVCRRJJV-LLVKDONJSA-N 1 0 314.345 1.906 20 5 DDBDRO CC(C)(CNC(=O)c1ccc([N+](=O)[O-])cn1)[NH+]1CCCCC1 ZINC000531633879 307620894 /nfs/dbraw/zinc/62/08/94/307620894.db2.gz LDYQTQCCCBCULT-UHFFFAOYSA-N 1 0 306.366 1.984 20 5 DDBDRO O=[N+]([O-])c1cnc(N2CCC[C@H]([NH+]3CCOCC3)CC2)nc1 ZINC000563423589 307970203 /nfs/dbraw/zinc/97/02/03/307970203.db2.gz NSQXCVGJGIWKDN-LBPRGKRZSA-N 1 0 307.354 1.076 20 5 DDBDRO COC(=O)c1cnc(NC[C@@H]2CC[N@@H+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000564766621 308005090 /nfs/dbraw/zinc/00/50/90/308005090.db2.gz GINVPWVZQHIYSU-NSHDSACASA-N 1 0 322.365 1.919 20 5 DDBDRO CC[C@@](C)(C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)OC ZINC000566120425 308043984 /nfs/dbraw/zinc/04/39/84/308043984.db2.gz QFKLTWQQBGUFNH-ZFWWWQNUSA-N 1 0 312.366 1.739 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2C[C@H]2C2CCCCC2)c1 ZINC000566124086 308044590 /nfs/dbraw/zinc/04/45/90/308044590.db2.gz HIDVGWOQUCDNFW-QLFBSQMISA-N 1 0 308.382 1.711 20 5 DDBDRO [NH3+]CCC1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000567057605 308069845 /nfs/dbraw/zinc/06/98/45/308069845.db2.gz QWWSQOSZWJMHIF-UHFFFAOYSA-N 1 0 307.350 1.561 20 5 DDBDRO Cn1cc([C@H]2C[N@H+](CCn3ccc([N+](=O)[O-])n3)CC2(C)C)cn1 ZINC000573264017 308234844 /nfs/dbraw/zinc/23/48/44/308234844.db2.gz QGWUQZYOUOGEFW-CYBMUJFWSA-N 1 0 318.381 1.650 20 5 DDBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000575920785 308282325 /nfs/dbraw/zinc/28/23/25/308282325.db2.gz OTKUAIMYSUWOGH-VXGBXAGGSA-N 1 0 308.382 1.905 20 5 DDBDRO COC1(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCCC1 ZINC000578006539 308429815 /nfs/dbraw/zinc/42/98/15/308429815.db2.gz ISOITSVKEVWHPJ-AWEZNQCLSA-N 1 0 324.377 1.883 20 5 DDBDRO COCC1(C(=O)N2CCc3c2cccc3[N+](=O)[O-])CC[NH2+]CC1 ZINC000578872587 308491252 /nfs/dbraw/zinc/49/12/52/308491252.db2.gz RXTVSPCIZRLORP-UHFFFAOYSA-N 1 0 319.361 1.500 20 5 DDBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC001120668473 782085886 /nfs/dbraw/zinc/08/58/86/782085886.db2.gz ILBKEVGBIMBBHK-CQSZACIVSA-N 1 0 320.393 1.777 20 5 DDBDRO C[C@H](CCc1ccccc1)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000390883242 325783587 /nfs/dbraw/zinc/78/35/87/325783587.db2.gz VLXKJZOLQGSXAN-CZUORRHYSA-N 1 0 318.377 1.763 20 5 DDBDRO Cc1c(CNC(=O)N2CCC[C@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000581715960 325903468 /nfs/dbraw/zinc/90/34/68/325903468.db2.gz OSEPNXDCVWQPPS-GFCCVEGCSA-N 1 0 306.366 1.784 20 5 DDBDRO COc1cc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)ccc1C ZINC000582160362 325980891 /nfs/dbraw/zinc/98/08/91/325980891.db2.gz NBWOBNBXVMBVGF-AWEZNQCLSA-N 1 0 320.349 1.259 20 5 DDBDRO [NH3+]C[C@@H]1CCCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000583145249 337245682 /nfs/dbraw/zinc/24/56/82/337245682.db2.gz DYLGZBFCLWNSHB-WFASDCNBSA-N 1 0 318.377 1.371 20 5 DDBDRO CC[NH2+]CCCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000036299538 337352824 /nfs/dbraw/zinc/35/28/24/337352824.db2.gz HOGLOKLQMSFHMG-UHFFFAOYSA-N 1 0 301.368 1.181 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@H]3CCCC[C@H]3O)CC2)cn1 ZINC000584533394 337357490 /nfs/dbraw/zinc/35/74/90/337357490.db2.gz YTXVNSDPVIBTEI-UKRRQHHQSA-N 1 0 320.393 1.663 20 5 DDBDRO Cc1ccnc(N2CCC[C@H]([NH+]3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000584665506 337380261 /nfs/dbraw/zinc/38/02/61/337380261.db2.gz OWJQPOJZSGWRNX-AWEZNQCLSA-N 1 0 320.393 1.989 20 5 DDBDRO C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000599625810 490382405 /nfs/dbraw/zinc/38/24/05/490382405.db2.gz PRNZPXQAMGHDAE-RZGXBDKHSA-N 1 0 307.350 1.595 20 5 DDBDRO C[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000348143051 490748815 /nfs/dbraw/zinc/74/88/15/490748815.db2.gz ORWDYHWOTSNVPQ-GXFFZTMASA-N 1 0 307.350 1.598 20 5 DDBDRO COC(=O)c1cc(C(=O)N[C@H]2CC[NH2+]C[C@H]2C)cc([N+](=O)[O-])c1 ZINC000423591569 533744258 /nfs/dbraw/zinc/74/42/58/533744258.db2.gz JMSOLGWSOCCESG-RNCFNFMXSA-N 1 0 321.333 1.109 20 5 DDBDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000445176534 533826489 /nfs/dbraw/zinc/82/64/89/533826489.db2.gz DYUWAPWWXPPCLI-PHIMTYICSA-N 1 0 322.365 1.688 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H]1CCO[C@@H]1C1CC1 ZINC000494453923 534339484 /nfs/dbraw/zinc/33/94/84/534339484.db2.gz KQVMHUHWKKSXTN-XJKSGUPXSA-N 1 0 319.361 1.999 20 5 DDBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CC[NH2+]CC1 ZINC000422705841 534671327 /nfs/dbraw/zinc/67/13/27/534671327.db2.gz SHVWYXZITZFCEF-UHFFFAOYSA-N 1 0 315.782 1.772 20 5 DDBDRO [NH3+]C[C@H]1CCCN(C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C1 ZINC000297331150 534689306 /nfs/dbraw/zinc/68/93/06/534689306.db2.gz HSVZNAJABAVGCH-MRVPVSSYSA-N 1 0 321.362 1.410 20 5 DDBDRO CC(C)(C)[NH2+]CCNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000302158176 526333221 /nfs/dbraw/zinc/33/32/21/526333221.db2.gz XBUVVEZBOJQNCP-UHFFFAOYSA-N 1 0 316.383 1.042 20 5 DDBDRO CC(C)(O)[C@H]1CCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000305427192 527363697 /nfs/dbraw/zinc/36/36/97/527363697.db2.gz CAMRGBVYKMBFNW-CYBMUJFWSA-N 1 0 307.350 1.429 20 5 DDBDRO CCOC(=O)c1cc(C(=O)N2CCC[C@@H]2C[NH3+])cc([N+](=O)[O-])c1 ZINC000422874808 528138795 /nfs/dbraw/zinc/13/87/95/528138795.db2.gz DFZVIEDOCLZBTI-GFCCVEGCSA-N 1 0 321.333 1.335 20 5 DDBDRO CCOC(=O)c1cc(C(=O)NCCC[NH2+]C)cc([N+](=O)[O-])c1 ZINC000422734452 528144996 /nfs/dbraw/zinc/14/49/96/528144996.db2.gz TURWFBQQFXTWBP-UHFFFAOYSA-N 1 0 309.322 1.111 20 5 DDBDRO CC[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])s1)C(C)C ZINC000444177429 528512960 /nfs/dbraw/zinc/51/29/60/528512960.db2.gz VWLPAHZIDGIKDS-UHFFFAOYSA-N 1 0 321.424 1.665 20 5 DDBDRO CCCc1n[nH]c(C(=O)NCCCC[N@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000457199682 528546099 /nfs/dbraw/zinc/54/60/99/528546099.db2.gz LDVDSDVDWHVJES-UHFFFAOYSA-N 1 0 323.397 1.875 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1 ZINC000423533044 528610445 /nfs/dbraw/zinc/61/04/45/528610445.db2.gz WMIKUMPAONSBRM-BPNCWPANSA-N 1 0 319.361 1.803 20 5 DDBDRO CC[C@H]1[C@H](CO)CC[N@@H+]1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000451253361 529344099 /nfs/dbraw/zinc/34/40/99/529344099.db2.gz JNZSTJUTPAXASJ-WFASDCNBSA-N 1 0 321.377 1.935 20 5 DDBDRO C[N@@H+]1CC[C@H](CNc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC000736848357 598243473 /nfs/dbraw/zinc/24/34/73/598243473.db2.gz LWEXFPVSDIVDGU-SECBINFHSA-N 1 0 303.326 1.139 20 5 DDBDRO CC[N@H+](CCNc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])C1CC1 ZINC000736537122 598298589 /nfs/dbraw/zinc/29/85/89/598298589.db2.gz RGGFZWFISXQVLN-UHFFFAOYSA-N 1 0 317.353 1.671 20 5 DDBDRO C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1)C1CC1 ZINC000736761848 598383132 /nfs/dbraw/zinc/38/31/32/598383132.db2.gz UYZIPMDQXSDRIR-CYBMUJFWSA-N 1 0 317.353 1.527 20 5 DDBDRO C[C@@H](CNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000820281955 606706309 /nfs/dbraw/zinc/70/63/09/606706309.db2.gz ZSYFWWKZHZLXJL-QMMMGPOBSA-N 1 0 318.341 1.065 20 5 DDBDRO CC[N@@H+]1CCC[C@@H]1CNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC000821266423 607160661 /nfs/dbraw/zinc/16/06/61/607160661.db2.gz CMFAQIRNQFHOPN-SECBINFHSA-N 1 0 318.341 1.066 20 5 DDBDRO O=[N+]([O-])c1ccnn1CN1CC[NH+](CCc2ccccc2)CC1 ZINC000054445164 696275882 /nfs/dbraw/zinc/27/58/82/696275882.db2.gz GGNRKNQMWHJQRO-UHFFFAOYSA-N 1 0 315.377 1.609 20 5 DDBDRO CC(C)[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000101955517 696609547 /nfs/dbraw/zinc/60/95/47/696609547.db2.gz YIHPPYYJRDKPOK-UHFFFAOYSA-N 1 0 310.310 1.573 20 5 DDBDRO CN(Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1CCOC1 ZINC000106857507 696628269 /nfs/dbraw/zinc/62/82/69/696628269.db2.gz AJDQAEOUNXVCRK-ZDUSSCGKSA-N 1 0 303.322 1.532 20 5 DDBDRO CC[NH+](CC)CCCNS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000119321089 696679443 /nfs/dbraw/zinc/67/94/43/696679443.db2.gz RTEOAPIKNFYJRS-UHFFFAOYSA-N 1 0 321.424 1.667 20 5 DDBDRO [NH3+]CCCCCC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000194281294 697703316 /nfs/dbraw/zinc/70/33/16/697703316.db2.gz KKCFZAKAJKSHRR-UHFFFAOYSA-N 1 0 320.393 1.763 20 5 DDBDRO Cc1nc2n(n1)C[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC2 ZINC000749686063 700177389 /nfs/dbraw/zinc/17/73/89/700177389.db2.gz CGYVJTRLCBTAQS-TZMCWYRMSA-N 1 0 317.349 1.133 20 5 DDBDRO COC1(CO)CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000773936928 697824784 /nfs/dbraw/zinc/82/47/84/697824784.db2.gz ZXLKHEAHPCTKJK-AWEZNQCLSA-N 1 0 310.350 1.102 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CC(C3CCOCC3)C2)c1 ZINC000799998533 700179748 /nfs/dbraw/zinc/17/97/48/700179748.db2.gz CDQTUDCFOHVTBE-MRXNPFEDSA-N 1 0 306.362 1.987 20 5 DDBDRO COC(=O)[C@H](C)C[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000776582115 698121222 /nfs/dbraw/zinc/12/12/22/698121222.db2.gz QNUIPDIIELLOCW-IAQYHMDHSA-N 1 0 322.361 1.902 20 5 DDBDRO NC(=O)CCC1CC[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776595803 698124988 /nfs/dbraw/zinc/12/49/88/698124988.db2.gz ATTICPSFORYWOD-OAHLLOKOSA-N 1 0 321.377 1.606 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCSC[C@H]2CCO)c1 ZINC000750095182 700203479 /nfs/dbraw/zinc/20/34/79/700203479.db2.gz WHGSUHRSMZVIKW-KGLIPLIRSA-N 1 0 312.391 1.428 20 5 DDBDRO C[C@H]1C[C@H](O)C[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000782525614 698734455 /nfs/dbraw/zinc/73/44/55/698734455.db2.gz ZHZBTKDULMWVKI-ONGXEEELSA-N 1 0 311.313 1.518 20 5 DDBDRO Cc1nn(CN2CC[N@H+](C3CCOCC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000782899245 698782716 /nfs/dbraw/zinc/78/27/16/698782716.db2.gz SNVONUHHIOPWHE-LBPRGKRZSA-N 1 0 323.397 1.242 20 5 DDBDRO CNc1ccc(C(=O)NCC[N@@H+]2CCC[C@H]2C)cc1[N+](=O)[O-] ZINC000783922773 698892277 /nfs/dbraw/zinc/89/22/77/698892277.db2.gz WCZYZGALKKWMBX-LLVKDONJSA-N 1 0 306.366 1.851 20 5 DDBDRO CON(C)C(=O)CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000788020836 699268207 /nfs/dbraw/zinc/26/82/07/699268207.db2.gz JAANOAQHOFDQNV-UHFFFAOYSA-N 1 0 307.350 1.969 20 5 DDBDRO C[NH+](C)C[C@@H](O)CNc1cccc(Br)c1[N+](=O)[O-] ZINC000717400419 699288496 /nfs/dbraw/zinc/28/84/96/699288496.db2.gz FAACKFBETZJIEO-QMMMGPOBSA-N 1 0 318.171 1.692 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1C[C@@H]2C[N@H+](C)CC[C@@H]2C1 ZINC000793925198 699787335 /nfs/dbraw/zinc/78/73/35/699787335.db2.gz NISYKTZSQTWTST-OLZOCXBDSA-N 1 0 303.362 1.927 20 5 DDBDRO Cc1nn(C[N@@H+]2CCC[C@@](C)(O)CC2)c2ncc([N+](=O)[O-])cc12 ZINC000794672392 699823388 /nfs/dbraw/zinc/82/33/88/699823388.db2.gz LXIGLNDTQPJGFQ-OAHLLOKOSA-N 1 0 319.365 1.842 20 5 DDBDRO CCC(=O)c1ccc(N2CCN(CCO)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000795144626 699848560 /nfs/dbraw/zinc/84/85/60/699848560.db2.gz PYMOXOGHHXASRH-GFCCVEGCSA-N 1 0 321.377 1.690 20 5 DDBDRO C[N@H+](Cc1ccccc1)[C@H]1CCN(Cn2nccc2[N+](=O)[O-])C1 ZINC000743376180 699909958 /nfs/dbraw/zinc/90/99/58/699909958.db2.gz JURUDDJACITOQS-HNNXBMFYSA-N 1 0 315.377 1.955 20 5 DDBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000758170331 700686949 /nfs/dbraw/zinc/68/69/49/700686949.db2.gz QUYXSMHQEBKLQR-JTQLQIEISA-N 1 0 307.354 1.176 20 5 DDBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[N@H+](C)[C@@H](C)C1 ZINC000761077096 700840284 /nfs/dbraw/zinc/84/02/84/700840284.db2.gz MWUKMYPUXFOCSA-RYUDHWBXSA-N 1 0 306.366 1.558 20 5 DDBDRO C[N@@H+]1CC[C@](O)(CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000762715299 700904126 /nfs/dbraw/zinc/90/41/26/700904126.db2.gz BCVCMXSAFDSHKQ-ZDUSSCGKSA-N 1 0 313.741 1.045 20 5 DDBDRO C[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@@]1(CO)CCOC1 ZINC000763888908 700952110 /nfs/dbraw/zinc/95/21/10/700952110.db2.gz SXROIFLSPMYZPG-CYBMUJFWSA-N 1 0 300.742 1.831 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H](CCO)C2CCOCC2)cc1 ZINC000763903426 700952593 /nfs/dbraw/zinc/95/25/93/700952593.db2.gz RRAZIQLPWVAIGT-JKSUJKDBSA-N 1 0 324.377 1.395 20 5 DDBDRO C[C@@H](CNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000770259233 701272983 /nfs/dbraw/zinc/27/29/83/701272983.db2.gz LXEATCPGBVIYBS-JTQLQIEISA-N 1 0 308.338 1.300 20 5 DDBDRO O=C1[C@H]([NH2+][C@@H](CCO)C2CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000771802066 701331337 /nfs/dbraw/zinc/33/13/37/701331337.db2.gz MWTJAARTNYQMBS-LSDHHAIUSA-N 1 0 319.361 1.451 20 5 DDBDRO Cn1ncc(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)n1 ZINC000806166868 701428491 /nfs/dbraw/zinc/42/84/91/701428491.db2.gz CODOUYPOEBYLFG-NWDGAFQWSA-N 1 0 305.342 1.193 20 5 DDBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N[C@@H](CO)C[NH+]1CCCC1 ZINC000808223814 701509162 /nfs/dbraw/zinc/50/91/62/701509162.db2.gz ZKNZGPVZFSLHFI-LHRNQBEKSA-N 1 0 319.361 1.181 20 5 DDBDRO Cn1ncc2c1CCC[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC000839625065 701757685 /nfs/dbraw/zinc/75/76/85/701757685.db2.gz MFZPWDKSWYOQHO-INIZCTEOSA-N 1 0 316.361 1.810 20 5 DDBDRO Cc1nnc([C@@H]2CC[N@H+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)C2)[nH]1 ZINC000839658330 701768815 /nfs/dbraw/zinc/76/88/15/701768815.db2.gz FAMHGQDRLDNQOP-OCCSQVGLSA-N 1 0 317.349 1.544 20 5 DDBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839724442 701798175 /nfs/dbraw/zinc/79/81/75/701798175.db2.gz IDLDZDDNNXPULU-ZGKBOVNRSA-N 1 0 303.362 1.288 20 5 DDBDRO C[C@@H]([NH2+]CCC1CS(=O)(=O)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815619625 701904165 /nfs/dbraw/zinc/90/41/65/701904165.db2.gz SRYZNMPLHXNAIJ-SECBINFHSA-N 1 0 313.379 1.262 20 5 DDBDRO Cc1nn(CN2CC[C@]3(C2)CCC[N@@H+](C)C3)c(C)c1[N+](=O)[O-] ZINC000840085368 701959016 /nfs/dbraw/zinc/95/90/16/701959016.db2.gz DATOHZGAJRIAAR-OAHLLOKOSA-N 1 0 307.398 1.783 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(c3c(C(N)=O)cccc3[N+](=O)[O-])CC[C@@H]21 ZINC000866206840 706648409 /nfs/dbraw/zinc/64/84/09/706648409.db2.gz GDWRGYANPJTHCS-PWSUYJOCSA-N 1 0 304.350 1.224 20 5 DDBDRO C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])c(F)cc3N)[C@@H]2C1 ZINC000816952047 702235561 /nfs/dbraw/zinc/23/55/61/702235561.db2.gz BEMWUXMHGRUYJB-ISVAXAHUSA-N 1 0 308.313 1.092 20 5 DDBDRO C[N@@H+]1C[C@@H]2CCN(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000816954086 702237802 /nfs/dbraw/zinc/23/78/02/702237802.db2.gz STGALXSLNNAYNT-ZDSVCRJJSA-N 1 0 301.346 1.771 20 5 DDBDRO C[NH+](C)C1CCC(NC(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000817658641 702437458 /nfs/dbraw/zinc/43/74/58/702437458.db2.gz HKDDDBKNCBKHOC-UHFFFAOYSA-N 1 0 306.366 1.780 20 5 DDBDRO COC[C@H](O)CC[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866312391 706671179 /nfs/dbraw/zinc/67/11/79/706671179.db2.gz MOUXNHLUZSVVEJ-ZWNOBZJWSA-N 1 0 300.330 1.652 20 5 DDBDRO CCC[N@@H+]1CC[C@@H](NC(=O)Cc2cccc(F)c2[N+](=O)[O-])C1 ZINC000869284009 702552853 /nfs/dbraw/zinc/55/28/53/702552853.db2.gz CCJDNDGOUJSJKJ-GFCCVEGCSA-N 1 0 309.341 1.877 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000818021886 702556953 /nfs/dbraw/zinc/55/69/53/702556953.db2.gz NNQGDKKPYBCBTJ-UHFFFAOYSA-N 1 0 318.377 1.629 20 5 DDBDRO CC[NH2+]CC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000818434617 702648652 /nfs/dbraw/zinc/64/86/52/702648652.db2.gz ZPKIIOOMVSHVTN-UHFFFAOYSA-N 1 0 307.350 1.574 20 5 DDBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H](CO)c1ccnn1C ZINC000866394816 706688940 /nfs/dbraw/zinc/68/89/40/706688940.db2.gz GJKQLXLPUJYELI-GXFFZTMASA-N 1 0 322.340 1.722 20 5 DDBDRO C[NH2+]C[C@@H](C)c1noc(-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1 ZINC000842577476 702735695 /nfs/dbraw/zinc/73/56/95/702735695.db2.gz OJKQEZGPOZCVGW-SSDOTTSWSA-N 1 0 307.266 1.876 20 5 DDBDRO CC[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H](O)C(F)(F)F ZINC000843090485 702817058 /nfs/dbraw/zinc/81/70/58/702817058.db2.gz XFFRKSHDBIBMQS-TUAOUCFPSA-N 1 0 322.283 1.920 20 5 DDBDRO [NH3+]CC1(c2nc(Cc3ccc([N+](=O)[O-])cn3)no2)CCCC1 ZINC000843192159 702838231 /nfs/dbraw/zinc/83/82/31/702838231.db2.gz RXDPNLDGROKIKV-UHFFFAOYSA-N 1 0 303.322 1.734 20 5 DDBDRO Cc1cc(F)cc(C(=O)N(C)CCN2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC000843338126 702862146 /nfs/dbraw/zinc/86/21/46/702862146.db2.gz IEGPJOQPFHMIAJ-UHFFFAOYSA-N 1 0 324.356 1.020 20 5 DDBDRO C[NH2+][C@@H]1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000843344461 702863296 /nfs/dbraw/zinc/86/32/96/702863296.db2.gz FLURARFLAMFUHJ-SNVBAGLBSA-N 1 0 310.329 1.356 20 5 DDBDRO C[C@H](C[NH3+])N(C)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000843350405 702864541 /nfs/dbraw/zinc/86/45/41/702864541.db2.gz QGQYAICACSSKGB-MRVPVSSYSA-N 1 0 300.746 1.466 20 5 DDBDRO C[C@@H]1CN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@@H](C)[NH2+]1 ZINC000843351778 702864771 /nfs/dbraw/zinc/86/47/71/702864771.db2.gz DCYSTDTZDHSADI-GHMZBOCLSA-N 1 0 324.356 1.745 20 5 DDBDRO CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CC[C@H]1[NH3+] ZINC000843470757 702888510 /nfs/dbraw/zinc/88/85/10/702888510.db2.gz BYEHZOGAMFIFJU-BXUZGUMPSA-N 1 0 320.393 1.860 20 5 DDBDRO NC(=O)c1ccc(C[N@@H+]2CC[C@H]3CSC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000879561542 706718367 /nfs/dbraw/zinc/71/83/67/706718367.db2.gz QFXBGHGIWHEHGK-QWHCGFSZSA-N 1 0 321.402 1.879 20 5 DDBDRO [NH3+][C@@H]1CCC[C@H]1Cc1nc(Cc2ccc([N+](=O)[O-])cn2)no1 ZINC000844912083 703083747 /nfs/dbraw/zinc/08/37/47/703083747.db2.gz COAOWASHXKQKTM-JOYOIKCWSA-N 1 0 303.322 1.634 20 5 DDBDRO C[C@@H](C[NH+](C)C)NC(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000848591119 703566992 /nfs/dbraw/zinc/56/69/92/703566992.db2.gz YRZXUMQUYDCQJX-VIFPVBQESA-N 1 0 317.292 1.633 20 5 DDBDRO CCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000851820594 703864346 /nfs/dbraw/zinc/86/43/46/703864346.db2.gz CLMZBFSKFFXULW-SECBINFHSA-N 1 0 319.408 1.419 20 5 DDBDRO O=C1OCCN1[C@@H]1CC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000852437437 704048398 /nfs/dbraw/zinc/04/83/98/704048398.db2.gz YCCMXDFGUWEPCD-ZIAGYGMSSA-N 1 0 321.333 1.155 20 5 DDBDRO C[C@H](CO[C@@H]1CCOC1)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819147456 704076170 /nfs/dbraw/zinc/07/61/70/704076170.db2.gz HVXJGPHHFIWZOQ-KCPJHIHWSA-N 1 0 310.350 1.412 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@@H]2CCc3n[nH]cc3C2)cc1 ZINC000819169583 704080435 /nfs/dbraw/zinc/08/04/35/704080435.db2.gz MWNURDVIHNJDRT-DOMZBBRYSA-N 1 0 302.334 1.498 20 5 DDBDRO CNC(=O)C1CCC([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000819230235 704091028 /nfs/dbraw/zinc/09/10/28/704091028.db2.gz SVOUJEXBRNZVQI-PIMMBPRGSA-N 1 0 321.377 1.523 20 5 DDBDRO CCCN1C[C@H](C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000819375904 704115973 /nfs/dbraw/zinc/11/59/73/704115973.db2.gz VEGJLGAHKYABTA-WFASDCNBSA-N 1 0 321.377 1.476 20 5 DDBDRO C[C@@H](C[C@@H]1CCCC[N@@H+]1C)OC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000870789977 704132996 /nfs/dbraw/zinc/13/29/96/704132996.db2.gz LFZVPOHFWALDKJ-RYUDHWBXSA-N 1 0 310.354 1.597 20 5 DDBDRO CNc1ccc(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-] ZINC000870977006 704188621 /nfs/dbraw/zinc/18/86/21/704188621.db2.gz DMDCIKWRDXRLSW-LMKPVCQUSA-N 1 0 318.377 1.897 20 5 DDBDRO O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCOC2(C[NH2+]C2)C1 ZINC000853244120 704223575 /nfs/dbraw/zinc/22/35/75/704223575.db2.gz CVONJMDFLPQOHT-UHFFFAOYSA-N 1 0 311.725 1.063 20 5 DDBDRO Cn1cc([N+](=O)[O-])c(C(=O)NC2CCC(C)([NH+](C)C)CC2)n1 ZINC000871361539 704275083 /nfs/dbraw/zinc/27/50/83/704275083.db2.gz NEMBFPNMENJYEX-UHFFFAOYSA-N 1 0 309.370 1.321 20 5 DDBDRO O=C1CCc2cc([N+](=O)[O-])c(N3CCc4nc[nH]c4C3)cc2N1 ZINC000820580711 704304015 /nfs/dbraw/zinc/30/40/15/704304015.db2.gz BRHBVSHTTRYEPF-UHFFFAOYSA-N 1 0 313.317 1.765 20 5 DDBDRO CCON(CC)C(=O)C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000858219449 704680393 /nfs/dbraw/zinc/68/03/93/704680393.db2.gz NAPCDCWIDJYYOI-CLFYSBASSA-N 1 0 307.350 1.998 20 5 DDBDRO Cc1cc(C(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)c(N)c([N+](=O)[O-])c1 ZINC000832497975 706926742 /nfs/dbraw/zinc/92/67/42/706926742.db2.gz QSBHHMUPBZTZEM-MNOVXSKESA-N 1 0 306.366 1.603 20 5 DDBDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000823113407 705143717 /nfs/dbraw/zinc/14/37/17/705143717.db2.gz XIVHQOZSCMMKSN-GFCCVEGCSA-N 1 0 301.387 1.049 20 5 DDBDRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000874823246 705182363 /nfs/dbraw/zinc/18/23/63/705182363.db2.gz GVSKQFHBATWMDZ-UONOGXRCSA-N 1 0 321.352 1.972 20 5 DDBDRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000874834282 705190924 /nfs/dbraw/zinc/19/09/24/705190924.db2.gz QUSLQUKNTWVUOJ-GHMZBOCLSA-N 1 0 306.322 1.004 20 5 DDBDRO CNc1ccc(C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3C)cc1[N+](=O)[O-] ZINC000874848392 705202185 /nfs/dbraw/zinc/20/21/85/705202185.db2.gz SGBVGBZXBBYDNV-KBPBESRZSA-N 1 0 318.377 1.945 20 5 DDBDRO CO[C@H]1C[N@H+](C)[C@](C)(COC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000861339487 705433460 /nfs/dbraw/zinc/43/34/60/705433460.db2.gz CDWSWBMNCLSUOB-ABAIWWIYSA-N 1 0 308.334 1.861 20 5 DDBDRO Cc1c(C(=O)N[C@H]2CC[C@H](C[NH3+])C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000825189028 705620725 /nfs/dbraw/zinc/62/07/25/705620725.db2.gz WGAFXDPQBDPRNC-UWVGGRQHSA-N 1 0 322.321 1.669 20 5 DDBDRO CC(C)C[C@H](CNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000825888493 705742123 /nfs/dbraw/zinc/74/21/23/705742123.db2.gz WNQSYCGVKOSNBB-CABCVRRESA-N 1 0 323.393 1.721 20 5 DDBDRO COc1ccc(CNC(=O)/C=C/[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000876612581 705783871 /nfs/dbraw/zinc/78/38/71/705783871.db2.gz QIMDXZNKTFLXRK-HOSRBBHYSA-N 1 0 319.361 1.775 20 5 DDBDRO O=C1CCCN1CCC[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000876895518 705912511 /nfs/dbraw/zinc/91/25/11/705912511.db2.gz CSAAERFJWXCLBJ-UHFFFAOYSA-N 1 0 307.354 1.097 20 5 DDBDRO COC(=O)C1=CC[C@@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000863572507 705961200 /nfs/dbraw/zinc/96/12/00/705961200.db2.gz OYMWQPCXRFEQBN-TZMCWYRMSA-N 1 0 306.318 1.480 20 5 DDBDRO CN(CCOCC[NH3+])C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000877055662 705973375 /nfs/dbraw/zinc/97/33/75/705973375.db2.gz DUDPAAFUDKKJMX-UHFFFAOYSA-N 1 0 317.345 1.795 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)CNc3ccccc3[N+](=O)[O-])CC[C@H]21 ZINC000827338671 705979706 /nfs/dbraw/zinc/97/97/06/705979706.db2.gz PZSGNMIGLFJPAO-TZMCWYRMSA-N 1 0 318.377 1.559 20 5 DDBDRO [NH3+]C[C@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])C[C@@H]1C(F)(F)F ZINC000877371802 706084123 /nfs/dbraw/zinc/08/41/23/706084123.db2.gz VRNVSSAALVBFAK-WPRPVWTQSA-N 1 0 317.267 1.804 20 5 DDBDRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C2 ZINC000877376475 706085620 /nfs/dbraw/zinc/08/56/20/706085620.db2.gz ILHGFADMRPSZFP-IINYFYTJSA-N 1 0 309.753 1.930 20 5 DDBDRO O=C(COc1cccc([N+](=O)[O-])c1)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000877395625 706094716 /nfs/dbraw/zinc/09/47/16/706094716.db2.gz LMSNLQGQJMCZRJ-HIFRSBDPSA-N 1 0 305.334 1.374 20 5 DDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@@H](CO)c3ccsc3)C2)c1 ZINC000877399936 706096282 /nfs/dbraw/zinc/09/62/82/706096282.db2.gz PUABOTDDNBMJGQ-XIVSLSHWSA-N 1 0 308.363 1.880 20 5 DDBDRO CO[C@H](CN(CC[NH3+])c1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000877521922 706131030 /nfs/dbraw/zinc/13/10/30/706131030.db2.gz FYYMQYSGOSYDOR-MRXNPFEDSA-N 1 0 323.393 1.802 20 5 DDBDRO COC(=O)[C@@H]1OCC[C@@H]1C[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000877722749 706189789 /nfs/dbraw/zinc/18/97/89/706189789.db2.gz HYDDRBVDNQDKDH-IUODEOHRSA-N 1 0 322.361 1.879 20 5 DDBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])c3nonc32)C[C@H](C)[N@H+]1CCO ZINC000829015451 706273611 /nfs/dbraw/zinc/27/36/11/706273611.db2.gz JBCSNCKTQSMSGN-AOOOYVTPSA-N 1 0 321.337 1.022 20 5 DDBDRO C[C@@H]1[C@H](NC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000830110206 706456445 /nfs/dbraw/zinc/45/64/45/706456445.db2.gz BQSDJGYEUARYBU-JUDXGUMMSA-N 1 0 303.362 1.907 20 5 DDBDRO C[N@@H+]1CC[C@]2(CCN(c3cc(F)c([N+](=O)[O-])cc3CO)C2)C1 ZINC000865827387 706538306 /nfs/dbraw/zinc/53/83/06/706538306.db2.gz JUVAAIWUGLIJHB-HNNXBMFYSA-N 1 0 309.341 1.758 20 5 DDBDRO C[NH+]1CCC(n2ccc(NC(=O)CCC(C)(C)[N+](=O)[O-])n2)CC1 ZINC000830734074 706571402 /nfs/dbraw/zinc/57/14/02/706571402.db2.gz PTIZNLINLVQVAB-UHFFFAOYSA-N 1 0 323.397 1.924 20 5 DDBDRO COc1ccc(C[N@@H+](C)[C@H]2CCOC[C@H]2OC)cc1[N+](=O)[O-] ZINC000880425586 706970643 /nfs/dbraw/zinc/97/06/43/706970643.db2.gz GHAWSLYHBHVUPG-SWLSCSKDSA-N 1 0 310.350 1.839 20 5 DDBDRO CO[C@@H]1COCC[C@H]1[N@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000880433021 706974303 /nfs/dbraw/zinc/97/43/03/706974303.db2.gz SSEABQYWVCCHAV-RBSFLKMASA-N 1 0 310.350 1.364 20 5 DDBDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000834594394 707091357 /nfs/dbraw/zinc/09/13/57/707091357.db2.gz SUHAJGFAOLASTF-VXGBXAGGSA-N 1 0 317.349 1.331 20 5 DDBDRO COCC1(C2CC2)C[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000871988744 707269854 /nfs/dbraw/zinc/26/98/54/707269854.db2.gz GQSQPNCADKYDNS-HNNXBMFYSA-N 1 0 306.362 1.987 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H]1CN(C)CCN1C ZINC000873051183 707709583 /nfs/dbraw/zinc/70/95/83/707709583.db2.gz DELOHTIHAZAUEN-AWEZNQCLSA-N 1 0 306.410 1.547 20 5 DDBDRO Cc1ccc(C[NH2+][C@H]2CCCS(=O)(=O)CC2)cc1[N+](=O)[O-] ZINC000873149485 707749755 /nfs/dbraw/zinc/74/97/55/707749755.db2.gz PFXZBONZFMZGMT-ZDUSSCGKSA-N 1 0 312.391 1.960 20 5 DDBDRO CCOC(=O)c1ccnc(NC[C@H]2CC[N@@H+]2CC)c1[N+](=O)[O-] ZINC000882960760 707874698 /nfs/dbraw/zinc/87/46/98/707874698.db2.gz UXXZTOMUQMLOHT-SNVBAGLBSA-N 1 0 308.338 1.673 20 5 DDBDRO CC[NH+](CC)[C@H](CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1ccccc1 ZINC000839464100 708049317 /nfs/dbraw/zinc/04/93/17/708049317.db2.gz VKQYYTSTCAEOPK-RBSFLKMASA-N 1 0 305.378 1.851 20 5 DDBDRO CC[C@@H](CN1CCOCC1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000896619770 708098637 /nfs/dbraw/zinc/09/86/37/708098637.db2.gz VYQQKNZUKSPERM-HNNXBMFYSA-N 1 0 307.394 1.838 20 5 DDBDRO C[NH2+][C@@H](CC(C)C)C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000884059962 708121587 /nfs/dbraw/zinc/12/15/87/708121587.db2.gz KGVUPOZTRVXBEP-ZDUSSCGKSA-N 1 0 308.382 1.757 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1C ZINC000884290757 708228724 /nfs/dbraw/zinc/22/87/24/708228724.db2.gz IOTWZYBHDMRYPD-CHWSQXEVSA-N 1 0 303.362 1.893 20 5 DDBDRO COCC[C@H]([NH3+])C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000884307042 708236201 /nfs/dbraw/zinc/23/62/01/708236201.db2.gz WNSHZANXZUHUQW-AWEZNQCLSA-N 1 0 307.350 1.450 20 5 DDBDRO Cc1ccccc1[C@H](CO)[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000886433766 708760393 /nfs/dbraw/zinc/76/03/93/708760393.db2.gz UBURAXQXCCBFIJ-AWEZNQCLSA-N 1 0 304.350 1.765 20 5 DDBDRO O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CC([NH+]2CCCC2)C1 ZINC000898599299 708805204 /nfs/dbraw/zinc/80/52/04/708805204.db2.gz NPCGRGHSTYTAHM-UHFFFAOYSA-N 1 0 307.325 1.583 20 5 DDBDRO Cc1nn(CCC(=O)N2CC([NH+]3CCCC3)C2)c(C)c1[N+](=O)[O-] ZINC000898613076 708811800 /nfs/dbraw/zinc/81/18/00/708811800.db2.gz UBECHGAGPKYTAS-UHFFFAOYSA-N 1 0 321.381 1.105 20 5 DDBDRO CCC1([NH+]2CCC2)CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000886710615 708819793 /nfs/dbraw/zinc/81/97/93/708819793.db2.gz BYSZQYBABMBYTE-UHFFFAOYSA-N 1 0 307.398 1.742 20 5 DDBDRO CC1(C)C[C@@H]([NH2+]CCN2CCNC2=O)c2cc([N+](=O)[O-])ccc21 ZINC000886744650 708833235 /nfs/dbraw/zinc/83/32/35/708833235.db2.gz COFKMUHNDCSVOR-CQSZACIVSA-N 1 0 318.377 1.932 20 5 DDBDRO O=C(NC[C@H]1C[NH2+]CCC1(F)F)Nc1cccc([N+](=O)[O-])c1 ZINC000886925343 708895800 /nfs/dbraw/zinc/89/58/00/708895800.db2.gz SAPMTMMWHCDUPL-SECBINFHSA-N 1 0 314.292 1.961 20 5 DDBDRO Cc1ccc(C(=O)N2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)cc1[N+](=O)[O-] ZINC000887939006 709173566 /nfs/dbraw/zinc/17/35/66/709173566.db2.gz KATXQGULLMOUPH-CJNGLKHVSA-N 1 0 303.362 1.927 20 5 DDBDRO C[NH+]1CCC2(CCN2C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000889221432 709463937 /nfs/dbraw/zinc/46/39/37/709463937.db2.gz FKEWQRFCZUPELA-AWEZNQCLSA-N 1 0 319.361 1.325 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912924518 713126631 /nfs/dbraw/zinc/12/66/31/713126631.db2.gz XMSMIEBRCULWMX-GFCCVEGCSA-N 1 0 305.334 1.524 20 5 DDBDRO CC[NH+]1CCN(CCNc2ncc([N+](=O)[O-])cc2OC)CC1 ZINC000891756351 710286561 /nfs/dbraw/zinc/28/65/61/710286561.db2.gz LHVDUBMMXKYAPQ-UHFFFAOYSA-N 1 0 309.370 1.048 20 5 DDBDRO Cc1ccc(CNC(=O)N[C@@]23CCC[C@@H]2[NH2+]CC3)cc1[N+](=O)[O-] ZINC000892536467 710453980 /nfs/dbraw/zinc/45/39/80/710453980.db2.gz DUXJCGUWXYSFTP-GOEBONIOSA-N 1 0 318.377 1.987 20 5 DDBDRO C[C@@H]1[C@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC[N@@H+]1C ZINC000928448988 713201520 /nfs/dbraw/zinc/20/15/20/713201520.db2.gz DGOWJJVFLKARCK-PSASIEDQSA-N 1 0 307.306 1.146 20 5 DDBDRO C[C@@H]1[C@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000928456456 713204990 /nfs/dbraw/zinc/20/49/90/713204990.db2.gz RPLYOWIDVQDINW-ZWNOBZJWSA-N 1 0 318.377 1.992 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000893802397 710835906 /nfs/dbraw/zinc/83/59/06/710835906.db2.gz ZWUOXHQEIGSLAM-GFCCVEGCSA-N 1 0 309.370 1.089 20 5 DDBDRO C[N@@H+]1C[C@H]2CCN(c3ncnc4sc([N+](=O)[O-])cc43)[C@H]2C1 ZINC000893941963 710894542 /nfs/dbraw/zinc/89/45/42/710894542.db2.gz XULUMRVBBJOEQD-SCZZXKLOSA-N 1 0 305.363 1.740 20 5 DDBDRO C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CCO1 ZINC000911885820 711051058 /nfs/dbraw/zinc/05/10/58/711051058.db2.gz ZBNUMGBXECTJGZ-PUPMMZHASA-N 1 0 319.361 1.273 20 5 DDBDRO COc1cc([C@H](C)[NH2+][C@H](C)C(=O)NCCF)cc([N+](=O)[O-])c1 ZINC000903168141 711053630 /nfs/dbraw/zinc/05/36/30/711053630.db2.gz SMTAJTZLBMGAQJ-VHSXEESVSA-N 1 0 313.329 1.728 20 5 DDBDRO COc1cc([C@@H](C)[NH2+]CCN2CCCOCC2)cc([N+](=O)[O-])c1 ZINC000903228940 711073548 /nfs/dbraw/zinc/07/35/48/711073548.db2.gz UDDWOPCQRVWLNZ-CYBMUJFWSA-N 1 0 323.393 1.976 20 5 DDBDRO COc1c(O)ccc(C[N@@H+]2CCC[C@H](CO)CC2)c1[N+](=O)[O-] ZINC000894650559 711229124 /nfs/dbraw/zinc/22/91/24/711229124.db2.gz XTBYKBLQKMQASZ-NSHDSACASA-N 1 0 310.350 1.903 20 5 DDBDRO O=[N+]([O-])c1cnc2ccc(F)cc2c1NCC[N@H+]1CC[C@@H](O)C1 ZINC000894782674 711269871 /nfs/dbraw/zinc/26/98/71/711269871.db2.gz XBPKKMKVJNQPOZ-LLVKDONJSA-N 1 0 320.324 1.183 20 5 DDBDRO C[N@@H+]1CCN(c2ccc([N+](=O)[O-])c3cnccc32)C[C@@H]1CO ZINC000894890914 711310921 /nfs/dbraw/zinc/31/09/21/711310921.db2.gz WGCWYDAJMVJBKB-LLVKDONJSA-N 1 0 302.334 1.256 20 5 DDBDRO [NH3+][C@@H](CC(F)F)CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000903872849 711311300 /nfs/dbraw/zinc/31/13/00/711311300.db2.gz KFCYMTHYLMUYDP-NSHDSACASA-N 1 0 314.336 1.699 20 5 DDBDRO COc1c(O)ccc(C[NH2+]C2CCN(OC)CC2)c1[N+](=O)[O-] ZINC000894984487 711350751 /nfs/dbraw/zinc/35/07/51/711350751.db2.gz BWOKCRGZDBZTAE-UHFFFAOYSA-N 1 0 311.338 1.424 20 5 DDBDRO COc1c([O-])c(C[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)ccc1[N+](=O)[O-] ZINC000903978452 711355884 /nfs/dbraw/zinc/35/58/84/711355884.db2.gz FUMDREDTLDGSTQ-GHMZBOCLSA-N 1 0 309.366 1.644 20 5 DDBDRO CN1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC000913533660 713247886 /nfs/dbraw/zinc/24/78/86/713247886.db2.gz ZQUGFNVDEVESJJ-AOOOYVTPSA-N 1 0 324.768 1.749 20 5 DDBDRO C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000895265715 711471589 /nfs/dbraw/zinc/47/15/89/711471589.db2.gz BLERNPONHNKVDG-CYBMUJFWSA-N 1 0 320.393 1.954 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@H]2C[C@@H]3COC[C@@H]3O2)cc1 ZINC000905572998 712082638 /nfs/dbraw/zinc/08/26/38/712082638.db2.gz SVNNADQRZUGXCC-RZFFKMDDSA-N 1 0 308.334 1.022 20 5 DDBDRO CC1(C)C[C@@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CO1 ZINC000905698066 712122758 /nfs/dbraw/zinc/12/27/58/712122758.db2.gz FZEWTGUCNHAWNP-VXGBXAGGSA-N 1 0 310.350 1.492 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000923359566 714327007 /nfs/dbraw/zinc/32/70/07/714327007.db2.gz RXZAGXSIGIZTCF-XPKDYRNWSA-N 1 0 321.377 1.018 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCC[C@@H]2C2OCCO2)cc1 ZINC000933902374 714696996 /nfs/dbraw/zinc/69/69/96/714696996.db2.gz ZNTPYTDCSFMBHB-KGLIPLIRSA-N 1 0 308.334 1.466 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@H]1C[C@H](O)C[N@H+]1C ZINC000924990253 714718273 /nfs/dbraw/zinc/71/82/73/714718273.db2.gz UYVVSLXYMFQWSO-OLZOCXBDSA-N 1 0 321.377 1.315 20 5 DDBDRO C/C(=C\C(=O)NCC[N@H+](C)CCO)c1ccc([N+](=O)[O-])cc1 ZINC000924997446 714721044 /nfs/dbraw/zinc/72/10/44/714721044.db2.gz HNMSCKKMOPZTJK-VAWYXSNFSA-N 1 0 307.350 1.038 20 5 DDBDRO COc1ccc(NC(=O)CN(C)[C@@H]2CC[C@H]2OC)c([N+](=O)[O-])c1 ZINC000934121148 714747406 /nfs/dbraw/zinc/74/74/06/714747406.db2.gz KOUPFODPQIFTKG-TZMCWYRMSA-N 1 0 323.349 1.651 20 5 DDBDRO C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000925490173 714872565 /nfs/dbraw/zinc/87/25/65/714872565.db2.gz BAUZKQYVORQIAK-NSHDSACASA-N 1 0 315.333 1.669 20 5 DDBDRO C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000925490171 714872577 /nfs/dbraw/zinc/87/25/77/714872577.db2.gz BAUZKQYVORQIAK-LLVKDONJSA-N 1 0 315.333 1.669 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@@H](c1ccncc1)C1CC1 ZINC000934696877 714883108 /nfs/dbraw/zinc/88/31/08/714883108.db2.gz VEMUZXFTOROKQW-MRXNPFEDSA-N 1 0 314.345 1.892 20 5 DDBDRO C[C@@H]1C[NH2+]C[C@H]1N[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000925787144 714934518 /nfs/dbraw/zinc/93/45/18/714934518.db2.gz XIUHPZLUVLDDTF-KCPJHIHWSA-N 1 0 315.377 1.615 20 5 DDBDRO CCN(CCC[NH+]1CCCC1)C(=O)Cn1c(C)ncc1[N+](=O)[O-] ZINC000935590016 715095421 /nfs/dbraw/zinc/09/54/21/715095421.db2.gz ATKUDRNEWYVALE-UHFFFAOYSA-N 1 0 323.397 1.434 20 5 DDBDRO COc1ncnc(N2CC[NH+](C3CCCC3)CC2)c1[N+](=O)[O-] ZINC001165029208 721856203 /nfs/dbraw/zinc/85/62/03/721856203.db2.gz VOFQFXCFDCARHI-UHFFFAOYSA-N 1 0 307.354 1.458 20 5 DDBDRO COC(=O)c1ccnc(N(C)CC2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000598594579 721934638 /nfs/dbraw/zinc/93/46/38/721934638.db2.gz MLINYAKCSLLUNL-UHFFFAOYSA-N 1 0 322.365 1.554 20 5 DDBDRO [NH3+]CC1(N(Cc2ccccc2)c2ncc([N+](=O)[O-])cn2)COC1 ZINC001167365209 733298971 /nfs/dbraw/zinc/29/89/71/733298971.db2.gz PFDDYHSOTNZBBU-UHFFFAOYSA-N 1 0 315.333 1.119 20 5 DDBDRO CCOC(=O)c1cccc([N+](=O)[O-])c1-n1ccc(CC[NH3+])n1 ZINC001167731056 737210034 /nfs/dbraw/zinc/21/00/34/737210034.db2.gz YQKRQNXBLPYYTO-UHFFFAOYSA-N 1 0 304.306 1.458 20 5 DDBDRO C[C@@H](NC(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C)c1ccc([N+](=O)[O-])cc1 ZINC000928246696 740129883 /nfs/dbraw/zinc/12/98/83/740129883.db2.gz LBZJLXMFZLQIGH-WDBKCZKBSA-N 1 0 307.350 1.227 20 5 DDBDRO CS[C@H]1CN(c2nn(C)cc2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC001186174348 744357432 /nfs/dbraw/zinc/35/74/32/744357432.db2.gz CYJBGQHPHXUOFS-JQWIXIFHSA-N 1 0 311.411 1.344 20 5 DDBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C1(C(F)F)CC1 ZINC001127217481 744502221 /nfs/dbraw/zinc/50/22/21/744502221.db2.gz ZWUCMVLPWULDEO-UHFFFAOYSA-N 1 0 313.304 1.846 20 5 DDBDRO CSCCC(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001123191572 745991126 /nfs/dbraw/zinc/99/11/26/745991126.db2.gz PSTABWKUGJYTKM-UHFFFAOYSA-N 1 0 303.409 1.615 20 5 DDBDRO NC(=O)c1ccc(C[N@@H+]2CC[C@@H](O)CC23CCC3)c([N+](=O)[O-])c1 ZINC001195305567 746572605 /nfs/dbraw/zinc/57/26/05/746572605.db2.gz DGUPGQGKQVRKTK-CYBMUJFWSA-N 1 0 319.361 1.573 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC001197739736 747255495 /nfs/dbraw/zinc/25/54/95/747255495.db2.gz QIRRRIFZUGCELZ-GUIRCDHDSA-N 1 0 322.361 1.037 20 5 DDBDRO O=C(NCC1C[NH+](C/C=C\c2ccccc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001031661984 747336594 /nfs/dbraw/zinc/33/65/94/747336594.db2.gz QAWCPBKQZNXLEM-ATEGUMQPSA-N 1 0 315.373 1.413 20 5 DDBDRO O=C(Cc1ccon1)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001125103396 748859629 /nfs/dbraw/zinc/85/96/29/748859629.db2.gz ACNZIRWTHPUNSE-UHFFFAOYSA-N 1 0 310.335 1.093 20 5 DDBDRO Cc1ncn(-c2cc([N+](=O)[O-])c(C)c[n+]2[O-])c1CSCC[NH3+] ZINC001168783407 761944583 /nfs/dbraw/zinc/94/45/83/761944583.db2.gz HZTWNAVIMCMELP-UHFFFAOYSA-N 1 0 323.378 1.223 20 5 DDBDRO COc1ccc([N+](=O)[O-])nc1-n1cnc(C)c1CSCC[NH3+] ZINC001168787991 761951333 /nfs/dbraw/zinc/95/13/33/761951333.db2.gz MGIYLMNSTZLRHX-UHFFFAOYSA-N 1 0 323.378 1.684 20 5 DDBDRO CN1Cc2cc(N(CC[NH3+])c3cccnc3)cc([N+](=O)[O-])c2N1 ZINC001168838973 762064514 /nfs/dbraw/zinc/06/45/14/762064514.db2.gz RZMROGBDFYCCKO-UHFFFAOYSA-N 1 0 314.349 1.859 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC001129080693 751247112 /nfs/dbraw/zinc/24/71/12/751247112.db2.gz VGECPZAUWXQULS-BVUBDWEXSA-N 1 0 315.373 1.861 20 5 DDBDRO Cc1nc(CC[NH3+])nn1-c1nc(C2CC2)nc(Cl)c1[N+](=O)[O-] ZINC001168984293 762152240 /nfs/dbraw/zinc/15/22/40/762152240.db2.gz ZSGVINYYJFSBTR-UHFFFAOYSA-N 1 0 323.744 1.306 20 5 DDBDRO CC(C)(C)OC(=O)NCCC[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168963162 762157574 /nfs/dbraw/zinc/15/75/74/762157574.db2.gz OFDALXJYLBWOGC-NWDGAFQWSA-N 1 0 301.387 1.936 20 5 DDBDRO COc1cccc(C2([NH2+][C@H]3CC[C@@H](C[N+](=O)[O-])C3)COC2)c1 ZINC001168997069 762169972 /nfs/dbraw/zinc/16/99/72/762169972.db2.gz XEWQXJSPZZLDCW-OCCSQVGLSA-N 1 0 306.362 1.956 20 5 DDBDRO CC(C)(C)[C@H](CN1CCOCC1)[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169001480 762173127 /nfs/dbraw/zinc/17/31/27/762173127.db2.gz GISKQXUWQRYJER-KFWWJZLASA-N 1 0 313.442 1.768 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@H](CO)Cc2ccc(F)cc2F)C1 ZINC001169007398 762175670 /nfs/dbraw/zinc/17/56/70/762175670.db2.gz NEIRKAHLKYHESS-HONMWMINSA-N 1 0 314.332 1.903 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@H](N(c2ncccn2)[C@@H]2CCC[NH2+]C2)C1 ZINC001169033881 762189703 /nfs/dbraw/zinc/18/97/03/762189703.db2.gz DOIYYWFANOCHEZ-HZSPNIEDSA-N 1 0 305.382 1.480 20 5 DDBDRO Nc1cccnc1N1CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169036500 762191690 /nfs/dbraw/zinc/19/16/90/762191690.db2.gz GCOTTWWMVMNUMT-OLZOCXBDSA-N 1 0 305.382 1.231 20 5 DDBDRO COC[C@@H]1C[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)Cc2cn(C)nc21 ZINC001169018751 762198808 /nfs/dbraw/zinc/19/88/08/762198808.db2.gz DIQCMSLLZLLXRR-XBFCOCLRSA-N 1 0 308.382 1.411 20 5 DDBDRO CCc1ncnc2c1CC[N@@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169022086 762201028 /nfs/dbraw/zinc/20/10/28/762201028.db2.gz MUIQWQQEPFJXOS-CHWSQXEVSA-N 1 0 304.394 1.885 20 5 DDBDRO C[C@@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000823680572 758340071 /nfs/dbraw/zinc/34/00/71/758340071.db2.gz PPXMTRNJABFJRN-RYUDHWBXSA-N 1 0 323.397 1.521 20 5 DDBDRO Cc1cccc(C(=O)N2CCC(O)(C[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000823684038 758342603 /nfs/dbraw/zinc/34/26/03/758342603.db2.gz LVOZPBDZUSUBFF-UHFFFAOYSA-N 1 0 321.377 1.432 20 5 DDBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)c1ncc[nH]1 ZINC001020133954 760607554 /nfs/dbraw/zinc/60/75/54/760607554.db2.gz JSBYEHFALNUKHQ-HAQNSBGRSA-N 1 0 315.333 1.369 20 5 DDBDRO Cc1ccccc1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001086083337 760943496 /nfs/dbraw/zinc/94/34/96/760943496.db2.gz VRTBPFOWQGSUTP-SLBVQIDZSA-N 1 0 317.389 1.645 20 5 DDBDRO O=C(NC[C@H]1C[C@@H]([NH2+]CC2=CCCCC2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001086083309 760943683 /nfs/dbraw/zinc/94/36/83/760943683.db2.gz URTPAOXKIXEMEF-LXTVHRRPSA-N 1 0 307.394 1.636 20 5 DDBDRO CC[NH+](CC)CC(=O)N(C)CCCNc1ncccc1[N+](=O)[O-] ZINC001109452569 763722739 /nfs/dbraw/zinc/72/27/39/763722739.db2.gz VFDLLQOVNFHVEY-UHFFFAOYSA-N 1 0 323.397 1.592 20 5 DDBDRO CN(CCCNc1ccccc1[N+](=O)[O-])C(=O)C[NH+]1CCCC1 ZINC001109454825 763725565 /nfs/dbraw/zinc/72/55/65/763725565.db2.gz UDIYHLARXLVJQS-UHFFFAOYSA-N 1 0 320.393 1.951 20 5 DDBDRO COc1ccc(C[C@@H](C)[NH2+][C@H]2CCCCNC2=O)c([N+](=O)[O-])c1 ZINC001170298270 766227321 /nfs/dbraw/zinc/22/73/21/766227321.db2.gz HZIHMCWIYCIVPM-RISCZKNCSA-N 1 0 321.377 1.793 20 5 DDBDRO COc1cc(-n2cnc(C)c2CSCC[NH3+])ncc1[N+](=O)[O-] ZINC001157961744 767529525 /nfs/dbraw/zinc/52/95/25/767529525.db2.gz LKVIJPHHQWTZNE-UHFFFAOYSA-N 1 0 323.378 1.684 20 5 DDBDRO CCc1n[nH]cc1C(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001130724184 767698269 /nfs/dbraw/zinc/69/82/69/767698269.db2.gz IFOQFLQLEVFBQZ-UHFFFAOYSA-N 1 0 317.349 1.400 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC001134551206 771059358 /nfs/dbraw/zinc/05/93/58/771059358.db2.gz YMFJLRZHJZVLTJ-BZNIZROVSA-N 1 0 319.361 1.627 20 5 DDBDRO COc1c([N+](=O)[O-])cc(Cl)c(C)c1N[C@H]1C[NH2+]C[C@@H]1CO ZINC001170781149 771243485 /nfs/dbraw/zinc/24/34/85/771243485.db2.gz JCLLBADHDXEQQR-SCZZXKLOSA-N 1 0 315.757 1.557 20 5 DDBDRO C[NH+](C)CCC(=O)N[C@H]1C[C@H](Nc2ccc(F)cc2[N+](=O)[O-])C1 ZINC001097096293 771621907 /nfs/dbraw/zinc/62/19/07/771621907.db2.gz IWKUHXICQAENLC-HAQNSBGRSA-N 1 0 324.356 1.745 20 5 DDBDRO COc1ccc(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)o1 ZINC001135660624 771635994 /nfs/dbraw/zinc/63/59/94/771635994.db2.gz RMFPMSDGBITCIG-UHFFFAOYSA-N 1 0 319.317 1.716 20 5 DDBDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2cnc(N)c([N+](=O)[O-])c2)C1 ZINC001136452931 771972083 /nfs/dbraw/zinc/97/20/83/771972083.db2.gz OAZRPFVUHBUKLF-NSHDSACASA-N 1 0 321.381 1.422 20 5 DDBDRO CCCCCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001147505915 773155632 /nfs/dbraw/zinc/15/56/32/773155632.db2.gz ANOBSUXMEZJRBT-ZIAGYGMSSA-N 1 0 309.410 1.766 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(N2c3ccccc3OC[C@H]2C[NH3+])n1 ZINC001171389643 774334762 /nfs/dbraw/zinc/33/47/62/774334762.db2.gz OEFVAVYRSBPKDK-SNVBAGLBSA-N 1 0 316.317 1.856 20 5 DDBDRO CNc1cc([N+](=O)[O-])cnc1N1c2ccccc2OC[C@H]1C[NH3+] ZINC001171391790 774362057 /nfs/dbraw/zinc/36/20/57/774362057.db2.gz FQXPBKATSFZCRH-LLVKDONJSA-N 1 0 315.333 1.889 20 5 DDBDRO Nc1ccnc(N2c3ccccc3OC[C@@H]2C[NH3+])c1[N+](=O)[O-] ZINC001171401705 774515634 /nfs/dbraw/zinc/51/56/34/774515634.db2.gz XUNIHOIAMVYDMT-VIFPVBQESA-N 1 0 301.306 1.430 20 5 DDBDRO Cc1ccnc(NCCNC(=O)CCC[NH+](C)C)c1[N+](=O)[O-] ZINC001094093897 775427098 /nfs/dbraw/zinc/42/70/98/775427098.db2.gz DXNGUHYGBMMUKE-UHFFFAOYSA-N 1 0 309.370 1.168 20 5 DDBDRO CCN(CCNC(=O)CC[NH+](C)C)c1ncc([N+](=O)[O-])cc1C ZINC001100700814 776450760 /nfs/dbraw/zinc/45/07/60/776450760.db2.gz NNJFXOGDQXIBBV-UHFFFAOYSA-N 1 0 323.397 1.192 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]C1CS(=O)(=O)C1)CC2 ZINC001172896898 776912895 /nfs/dbraw/zinc/91/28/95/776912895.db2.gz TZXRYJDTSFSRHI-LBPRGKRZSA-N 1 0 310.375 1.229 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@H+]1CC[C@@H](O)[C@H](CO)C1)CC2 ZINC001172903303 776916170 /nfs/dbraw/zinc/91/61/70/776916170.db2.gz GNVMATFAQXNDJV-ZMSDIMECSA-N 1 0 320.389 1.517 20 5 DDBDRO O=C1C[C@H](C[NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C(=O)N1 ZINC001172902966 776916252 /nfs/dbraw/zinc/91/62/52/776916252.db2.gz NQRJNEIMXOYUOX-OLZOCXBDSA-N 1 0 317.345 1.095 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CC(OC)OC)c1F ZINC001173188146 777036611 /nfs/dbraw/zinc/03/66/11/777036611.db2.gz IQUYXTMFLFSPBE-SECBINFHSA-N 1 0 316.329 1.882 20 5 DDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCN1CC2(COC2)C1 ZINC001173220024 777052559 /nfs/dbraw/zinc/05/25/59/777052559.db2.gz RQXKCDXCTPTZAA-ZDUSSCGKSA-N 1 0 305.378 1.448 20 5 DDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)CC(=O)N1CCOCC1 ZINC001173228942 777062491 /nfs/dbraw/zinc/06/24/91/777062491.db2.gz OEOMBOWKGFHWOD-ZDUSSCGKSA-N 1 0 321.377 1.316 20 5 DDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC1(C(N)=O)CCOCC1 ZINC001173211598 777067312 /nfs/dbraw/zinc/06/73/12/777067312.db2.gz UBVDIKPCPJVMPX-GFCCVEGCSA-N 1 0 321.377 1.398 20 5 DDBDRO C[NH+](C)CCC(=O)N1CCC(Nc2ncccc2[N+](=O)[O-])CC1 ZINC001095247549 777314747 /nfs/dbraw/zinc/31/47/47/777314747.db2.gz OMTGATVOKHVUIM-UHFFFAOYSA-N 1 0 321.381 1.344 20 5 DDBDRO CN(CCNc1ccccc1[N+](=O)[O-])C(=O)C1CC[NH+](C)CC1 ZINC001101671868 777374857 /nfs/dbraw/zinc/37/48/57/777374857.db2.gz KFDZFKITDZTLRX-UHFFFAOYSA-N 1 0 320.393 1.807 20 5 DDBDRO COc1cc(C[NH2+]C[C@H]2CCCCN2C)c([N+](=O)[O-])cc1O ZINC001179730251 779470268 /nfs/dbraw/zinc/47/02/68/779470268.db2.gz TXQPIQNZXBBAJY-GFCCVEGCSA-N 1 0 309.366 1.883 20 5 DDBDRO CC[N@@H+](Cc1ccccc1F)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001116150878 780479801 /nfs/dbraw/zinc/47/98/01/780479801.db2.gz ZMAWRYCLOVVTJG-CQSZACIVSA-N 1 0 322.340 1.813 20 5 DDBDRO Cc1cncc([N+](=O)[O-])c1NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC001117243984 780693409 /nfs/dbraw/zinc/69/34/09/780693409.db2.gz NPOXBTOUWCEJDZ-AWEZNQCLSA-N 1 0 321.425 1.404 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@H](C(=O)NC2CC2)C1 ZINC001119305542 781399260 /nfs/dbraw/zinc/39/92/60/781399260.db2.gz CHTNRNDKEGTXGM-LBPRGKRZSA-N 1 0 321.381 1.090 20 5 DDBDRO O=C(NCC1([NH2+]Cc2ccns2)CCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001268036311 839510572 /nfs/dbraw/zinc/51/05/72/839510572.db2.gz QHBCRDVINFQHRB-VXGBXAGGSA-N 1 0 324.406 1.327 20 5 DDBDRO C[NH+](C)C[C@H]1COCCN1c1ncnc2ccc([N+](=O)[O-])cc21 ZINC001154968807 861610388 /nfs/dbraw/zinc/61/03/88/861610388.db2.gz QFBOBWFYGFBCFI-LBPRGKRZSA-N 1 0 317.349 1.305 20 5 DDBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N[C@H]2CCC[C@@H]([NH3+])C2)n1 ZINC001154988913 861622184 /nfs/dbraw/zinc/62/21/84/861622184.db2.gz HRLAJIPECCDOAZ-ZJUUUORDSA-N 1 0 308.342 1.333 20 5 DDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC001326847329 861656477 /nfs/dbraw/zinc/65/64/77/861656477.db2.gz QSMDTBKBWMNRGA-ZLKJLUDKSA-N 1 0 318.377 1.836 20 5 DDBDRO COc1nc(NC[C@H]2CO[C@]3(C2)CCC[NH2+]C3)ccc1[N+](=O)[O-] ZINC001155591929 862265816 /nfs/dbraw/zinc/26/58/16/862265816.db2.gz LGVNTGZVYAHNBI-NHYWBVRUSA-N 1 0 322.365 1.569 20 5 DDBDRO Cc1cc(C)cc(C[NH2+]C/C=C\CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC001274014971 851849237 /nfs/dbraw/zinc/84/92/37/851849237.db2.gz FOCXNZDKFLYEJC-JGPFYOFESA-N 1 0 317.389 1.731 20 5 DDBDRO COC(=O)c1cc(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2C)cc([N+](=O)[O-])c1 ZINC001155892648 862536118 /nfs/dbraw/zinc/53/61/18/862536118.db2.gz KSKAISRNXXEDDA-TVQRCGJNSA-N 1 0 321.333 1.204 20 5 DDBDRO COCCCC[NH2+]C1(C)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001327982217 862610390 /nfs/dbraw/zinc/61/03/90/862610390.db2.gz NSXHAXAWFGLJFI-CHWSQXEVSA-N 1 0 313.398 1.049 20 5 DDBDRO C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)[C@H](C)C[NH2+]1 ZINC001121931902 858638274 /nfs/dbraw/zinc/63/82/74/858638274.db2.gz TVHKSQRTXKKURK-YIKOMLBNSA-N 1 0 303.362 1.907 20 5 DDBDRO O=C([C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC001121932263 858638528 /nfs/dbraw/zinc/63/85/28/858638528.db2.gz WNOJPSLJSCCYCE-UXLLHSPISA-N 1 0 315.373 1.910 20 5 DDBDRO C[C@@H]1C[NH2+]C[C@H]1CNC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC001122143495 858696120 /nfs/dbraw/zinc/69/61/20/858696120.db2.gz IDJNYSFPMWLLMM-ZJUUUORDSA-N 1 0 311.313 1.084 20 5 DDBDRO CN(C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C1(C[NH3+])CCOCC1 ZINC001122356863 858775452 /nfs/dbraw/zinc/77/54/52/858775452.db2.gz NKPDVIYGXIXAMB-QPJJXVBHSA-N 1 0 319.361 1.574 20 5 DDBDRO Cc1nnsc1C(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001123374277 859201350 /nfs/dbraw/zinc/20/13/50/859201350.db2.gz RADIPCXSWXUQTL-UHFFFAOYSA-N 1 0 321.362 1.274 20 5 DDBDRO COc1ccc(NC(=O)N2CC[N@@H+]3CC[C@H]2C3)c([N+](=O)[O-])c1 ZINC001123378084 859204157 /nfs/dbraw/zinc/20/41/57/859204157.db2.gz FFLHXQSLIKNALZ-JTQLQIEISA-N 1 0 306.322 1.525 20 5 DDBDRO C[C@H](NC(=O)[C@H]1C[N@@H+]2CCN1C[C@@H]2C)c1ccc([N+](=O)[O-])cc1 ZINC001124020489 859530112 /nfs/dbraw/zinc/53/01/12/859530112.db2.gz OOAJUAZQBRSMDJ-SLEUVZQESA-N 1 0 318.377 1.160 20 5 DDBDRO Cn1cnc(C(=O)NCCC[NH2+]Cc2csc([N+](=O)[O-])c2)c1 ZINC001156557517 863145901 /nfs/dbraw/zinc/14/59/01/863145901.db2.gz GULUFDQJTLDQGS-UHFFFAOYSA-N 1 0 323.378 1.300 20 5 DDBDRO Cc1ccccc1OCCCOC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001225013230 881638187 /nfs/dbraw/zinc/63/81/87/881638187.db2.gz AZUUZIPQDNXJAD-OAHLLOKOSA-N 1 0 310.414 1.764 20 5 DDBDRO COC(=O)[C@@H](CCC[NH3+])Nc1ccc2[nH]cc([N+](=O)[O-])c2n1 ZINC001157116451 863593969 /nfs/dbraw/zinc/59/39/69/863593969.db2.gz RUERYPZEULMDMR-SECBINFHSA-N 1 0 307.310 1.164 20 5 DDBDRO Cc1ccc(C[NH2+]CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1C ZINC001157767449 864117869 /nfs/dbraw/zinc/11/78/69/864117869.db2.gz NEVFFZFLULPZPX-HUUCEWRRSA-N 1 0 305.378 1.565 20 5 DDBDRO Cc1ncn(-c2ncc(F)cc2[N+](=O)[O-])c1CSCC[NH3+] ZINC001157961640 864308717 /nfs/dbraw/zinc/30/87/17/864308717.db2.gz KXGMMTLHTYCKTE-UHFFFAOYSA-N 1 0 311.342 1.815 20 5 DDBDRO [NH3+]Cc1ccc2ncn(-c3nc(Cl)ncc3[N+](=O)[O-])c2c1 ZINC001158007247 864353877 /nfs/dbraw/zinc/35/38/77/864353877.db2.gz KYPZUBOCTGYHFV-UHFFFAOYSA-N 1 0 304.697 1.836 20 5 DDBDRO COc1cc2ncnc(NCC3C[NH+](C)C3)c2cc1[N+](=O)[O-] ZINC001159218976 865172637 /nfs/dbraw/zinc/17/26/37/865172637.db2.gz VAFVESLXZBPJLC-UHFFFAOYSA-N 1 0 303.322 1.520 20 5 DDBDRO [NH3+]CCOCCOCCNc1ccc2c(cccc2[N+](=O)[O-])n1 ZINC001159444285 865297974 /nfs/dbraw/zinc/29/79/74/865297974.db2.gz DRSXWASBHJDTCJ-UHFFFAOYSA-N 1 0 320.349 1.547 20 5 DDBDRO CC[N@H+](C)[C@H]1CCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC001225483848 881862985 /nfs/dbraw/zinc/86/29/85/881862985.db2.gz KAXNZSKGNLBXLB-HNNXBMFYSA-N 1 0 320.393 1.873 20 5 DDBDRO C[C@@H](Nc1ncnc2cccc([N+](=O)[O-])c21)[C@H]1C[NH2+]CCO1 ZINC001159502429 865361175 /nfs/dbraw/zinc/36/11/75/865361175.db2.gz MXEPXAAQTURTNR-BXKDBHETSA-N 1 0 303.322 1.327 20 5 DDBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1-n1c(CC[NH3+])cc2ccccc21 ZINC001160125291 865687168 /nfs/dbraw/zinc/68/71/68/865687168.db2.gz BSEMDKHUGZIXEI-UHFFFAOYSA-N 1 0 312.329 1.982 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCc2ccccc2C[NH3+])n1 ZINC001160912301 866183835 /nfs/dbraw/zinc/18/38/35/866183835.db2.gz JDZNCPVZSLETLN-UHFFFAOYSA-N 1 0 316.317 1.847 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc(Br)cn1 ZINC001225671234 881968082 /nfs/dbraw/zinc/96/80/82/881968082.db2.gz FLWKATCVAMJDEJ-SNVBAGLBSA-N 1 0 318.191 1.207 20 5 DDBDRO C[NH2+]C[C@H]1CCCCN1C(=O)CCn1nc(C)c([N+](=O)[O-])c1C ZINC001333684813 866935535 /nfs/dbraw/zinc/93/55/35/866935535.db2.gz ZWNRGJITZYMSJO-CYBMUJFWSA-N 1 0 323.397 1.399 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1C[C@H]2CC[C@@H]([NH+](C)C)C[C@@H]2C1 ZINC001334442965 867571129 /nfs/dbraw/zinc/57/11/29/867571129.db2.gz FLIROHJNFFACKP-IJLUTSLNSA-N 1 0 321.381 1.131 20 5 DDBDRO CCOC1(OCC)CC[NH2+]C[C@@H]1Nc1cccnc1[N+](=O)[O-] ZINC001162728482 867775749 /nfs/dbraw/zinc/77/57/49/867775749.db2.gz AIVVBJSTHZLEON-LBPRGKRZSA-N 1 0 310.354 1.533 20 5 DDBDRO COc1cc([C@H](C)[NH2+]CCN2CCOC[C@H]2C)cc([N+](=O)[O-])c1 ZINC001334729138 867797464 /nfs/dbraw/zinc/79/74/64/867797464.db2.gz FROQRFKLEKIVPY-OLZOCXBDSA-N 1 0 323.393 1.975 20 5 DDBDRO CC(C)[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001162811088 867844897 /nfs/dbraw/zinc/84/48/97/867844897.db2.gz ZELCFTRWQXUPDM-HZPDHXFCSA-N 1 0 319.405 1.721 20 5 DDBDRO C[NH+](C)[C@@H]1C[C@@H](NC(=O)COc2cccc([N+](=O)[O-])c2)C1(C)C ZINC001162904420 867911063 /nfs/dbraw/zinc/91/10/63/867911063.db2.gz IHAUFWWMGFLATG-ZIAGYGMSSA-N 1 0 321.377 1.819 20 5 DDBDRO Cc1c(N[C@@H]2COCCC23C[NH2+]C3)ccc([N+](=O)[O-])c1[N+](=O)[O-] ZINC001163071337 868055427 /nfs/dbraw/zinc/05/54/27/868055427.db2.gz BPAKNTLZNAYGPW-GFCCVEGCSA-N 1 0 322.321 1.602 20 5 DDBDRO CC(=O)Nc1ccc(NC[C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)cc1[N+](=O)[O-] ZINC001163106289 868103907 /nfs/dbraw/zinc/10/39/07/868103907.db2.gz YZKBRSXLLQXQGA-IXPVHAAZSA-N 1 0 320.349 1.200 20 5 DDBDRO O=[N+]([O-])c1cc2cc[nH]c2c(NC[C@]23C[NH2+]C[C@H]2COC3)c1 ZINC001163153008 868163460 /nfs/dbraw/zinc/16/34/60/868163460.db2.gz GBDVGZGXLJWMDM-NHYWBVRUSA-N 1 0 302.334 1.724 20 5 DDBDRO CC(=O)Nc1ccc(NC[C@]23C[NH2+]C[C@H]2COC3)cc1[N+](=O)[O-] ZINC001163155049 868167927 /nfs/dbraw/zinc/16/79/27/868167927.db2.gz VMQMWKWGOBHQNV-NHYWBVRUSA-N 1 0 320.349 1.201 20 5 DDBDRO CC(C)(C)c1cnc(NC[C@@]23C[NH2+][C@@H](CO2)C3)c([N+](=O)[O-])c1 ZINC001163190916 868199283 /nfs/dbraw/zinc/19/92/83/868199283.db2.gz AYEDFAHRKPSPSP-IAQYHMDHSA-N 1 0 306.366 1.830 20 5 DDBDRO COC(=O)c1cc(C)nc(N[C@H]2CC[C@@H]3C[NH2+]C[C@@H]32)c1[N+](=O)[O-] ZINC001163261730 868276206 /nfs/dbraw/zinc/27/62/06/868276206.db2.gz KYLJAMVGOFFJRJ-USWWRNFRSA-N 1 0 320.349 1.495 20 5 DDBDRO COc1cccc([C@@H](C[NH3+])Nc2cc(N)c([N+](=O)[O-])cn2)c1 ZINC001163308286 868333570 /nfs/dbraw/zinc/33/35/70/868333570.db2.gz AKLPVHTVFXMUMI-GFCCVEGCSA-N 1 0 303.322 1.693 20 5 DDBDRO O=[N+]([O-])c1c[nH]c2ncnc(N[C@H]3CCO[C@]4(CC[NH2+]C4)C3)c12 ZINC001163310741 868339238 /nfs/dbraw/zinc/33/92/38/868339238.db2.gz ORFXEVMWJGJYLN-LKFCYVNXSA-N 1 0 318.337 1.189 20 5 DDBDRO COc1nc(N[C@H]2CC[N@@H+](C(C)C)C[C@H]2C)ncc1[N+](=O)[O-] ZINC001163357054 868390528 /nfs/dbraw/zinc/39/05/28/868390528.db2.gz ITRMAYHJJDYVSA-MNOVXSKESA-N 1 0 309.370 1.924 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCCNC(=O)C1(C)CCCC1 ZINC001163510447 868496912 /nfs/dbraw/zinc/49/69/12/868496912.db2.gz REYCYTRFCRSEEX-UHFFFAOYSA-N 1 0 323.397 1.505 20 5 DDBDRO COc1nc(SC)nc(N[C@H](C)C[NH+](C)C)c1[N+](=O)[O-] ZINC001163772039 868691716 /nfs/dbraw/zinc/69/17/16/868691716.db2.gz IXCJKBHQMJBIPP-SSDOTTSWSA-N 1 0 301.372 1.477 20 5 DDBDRO O=C(N[C@@H]1C[NH+]2CCC1CC2)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001336055050 868702445 /nfs/dbraw/zinc/70/24/45/868702445.db2.gz NNJCTKQHDGNPLQ-ARFHVFGLSA-N 1 0 315.373 1.909 20 5 DDBDRO CO[C@@H]1CC[N@H+](CCOc2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC001226131089 882222043 /nfs/dbraw/zinc/22/20/43/882222043.db2.gz ACABFYANHQLLGH-SNVBAGLBSA-N 1 0 301.730 1.743 20 5 DDBDRO C[C@H]1CC[C@H](C[NH3+])CN1c1cc([N+](=O)[O-])cc(Cl)[n+]1[O-] ZINC001164469064 869215366 /nfs/dbraw/zinc/21/53/66/869215366.db2.gz WSSYHMKGAQSAIE-DTWKUNHWSA-N 1 0 300.746 1.445 20 5 DDBDRO [NH3+][C@@H]1CN(C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)C[C@H]1F ZINC001165118525 869387101 /nfs/dbraw/zinc/38/71/01/869387101.db2.gz ICMSWAIZZQDBBM-PHDIDXHHSA-N 1 0 310.663 1.674 20 5 DDBDRO [NH3+]CC1(F)CCN(c2c([N+](=O)[O-])cc[n+]([O-])c2Cl)CC1 ZINC001165263738 869478700 /nfs/dbraw/zinc/47/87/00/869478700.db2.gz UYPTYGHHLDOUNJ-UHFFFAOYSA-N 1 0 304.709 1.149 20 5 DDBDRO O=[N+]([O-])c1cnc(N2CC[C@H]3CCCO[C@H]3C2)nc1C1C[NH2+]C1 ZINC001165330339 869521476 /nfs/dbraw/zinc/52/14/76/869521476.db2.gz IVQDLJUADJGWMP-MFKMUULPSA-N 1 0 319.365 1.077 20 5 DDBDRO Cc1nc2c(n1-c1ncc(Cl)cc1[N+](=O)[O-])CC[NH2+]CC2 ZINC001165351780 869537986 /nfs/dbraw/zinc/53/79/86/869537986.db2.gz JAWSKMNLEVWFHL-UHFFFAOYSA-N 1 0 307.741 1.826 20 5 DDBDRO COCCN1CCC[C@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001338420812 869970735 /nfs/dbraw/zinc/97/07/35/869970735.db2.gz YTECFZKAXANHBP-HOCLYGCPSA-N 1 0 323.393 1.329 20 5 DDBDRO [NH3+][C@@H]1CCN(c2cc([N+](=O)[O-])cc(Cl)[n+]2[O-])CC1(F)F ZINC001166959161 870421731 /nfs/dbraw/zinc/42/17/31/870421731.db2.gz UIMLNPNEROVRBP-SSDOTTSWSA-N 1 0 308.672 1.054 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CCN3C[C@@H](F)C[C@H]3C2)c1 ZINC001298333883 870476279 /nfs/dbraw/zinc/47/62/79/870476279.db2.gz XKGNTBHNDFQFOY-QWRGUYRKSA-N 1 0 323.324 1.472 20 5 DDBDRO C[NH2+]Cc1cccc(Nc2nc(OC)c([N+](=O)[O-])c(OC)n2)c1 ZINC001167032897 870488923 /nfs/dbraw/zinc/48/89/23/870488923.db2.gz DAEHBIBSRLMCIK-UHFFFAOYSA-N 1 0 319.321 1.865 20 5 DDBDRO Nc1cc(N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)ncc1[N+](=O)[O-] ZINC001339824729 870717917 /nfs/dbraw/zinc/71/79/17/870717917.db2.gz RKDIJPVPWZTSNG-ZYHUDNBSSA-N 1 0 309.395 1.564 20 5 DDBDRO [NH3+]CCCSCCC(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC001340077024 870878719 /nfs/dbraw/zinc/87/87/19/870878719.db2.gz DISDRNKQKPWVMS-UHFFFAOYSA-N 1 0 309.391 1.956 20 5 DDBDRO COC(=O)c1cnc(N(C)CCCC[NH+](C)C)c([N+](=O)[O-])c1 ZINC001307202066 871408671 /nfs/dbraw/zinc/40/86/71/871408671.db2.gz RYSIVYIBNOUSSO-UHFFFAOYSA-N 1 0 310.354 1.554 20 5 DDBDRO CC(C)[C@@H](CO)[NH2+]Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001307606411 871445955 /nfs/dbraw/zinc/44/59/55/871445955.db2.gz WQLBRJWZOSXWOM-LLVKDONJSA-N 1 0 306.322 1.751 20 5 DDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC001341074305 871492457 /nfs/dbraw/zinc/49/24/57/871492457.db2.gz YECPUBSGUAPLAL-GDBMZVCRSA-N 1 0 318.377 1.899 20 5 DDBDRO COC[C@@]1(C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)CC[NH2+]C1 ZINC001341110878 871508125 /nfs/dbraw/zinc/50/81/25/871508125.db2.gz ZORYIXBBUSLJQP-XHDPSFHLSA-N 1 0 307.350 1.398 20 5 DDBDRO O=C(NCCNc1ccc([N+](=O)[O-])cc1)[C@]12CC[C@H]1C[NH2+]C2 ZINC001341313506 871602831 /nfs/dbraw/zinc/60/28/31/871602831.db2.gz YYGONZLVOMNZKS-NHYWBVRUSA-N 1 0 304.350 1.123 20 5 DDBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1COC2(C[NH2+]C2)C1 ZINC001341368683 871624626 /nfs/dbraw/zinc/62/46/26/871624626.db2.gz OWVBIBAPFZJSAX-SECBINFHSA-N 1 0 323.374 1.177 20 5 DDBDRO O=C(NCCCCCN1CC[NH2+]CC1)c1ccccc1[N+](=O)[O-] ZINC001341824327 871846066 /nfs/dbraw/zinc/84/60/66/871846066.db2.gz SBSGQXAJXAAWAT-UHFFFAOYSA-N 1 0 320.393 1.400 20 5 DDBDRO C[C@@H](C[N+](C)(C)C)Oc1ncnc2n[nH]c(Br)c21 ZINC001226667638 882575250 /nfs/dbraw/zinc/57/52/50/882575250.db2.gz BHXWDWOPAALPSM-ZETCQYMHSA-N 1 0 315.195 1.589 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cccc2sc(N)nc21 ZINC001228235516 883402401 /nfs/dbraw/zinc/40/24/01/883402401.db2.gz SBEOFLPSKKTHLG-SECBINFHSA-N 1 0 310.399 1.241 20 5 DDBDRO CC[N@@H+]1CCN(c2nnc([C@@H](C)[N+](=O)[O-])n2CC2CC2)C[C@@H]1C ZINC001348145017 874377710 /nfs/dbraw/zinc/37/77/10/874377710.db2.gz JLMLDVBFJILHMN-NWDGAFQWSA-N 1 0 322.413 1.556 20 5 DDBDRO O=[N+]([O-])C[C@H](OC[C@@H]1C[C@H]2CC[NH2+]C[C@@H]2O1)c1cccnc1 ZINC001217864570 877343544 /nfs/dbraw/zinc/34/35/44/877343544.db2.gz FVVKXQBUOVPJNH-UNQGMJICSA-N 1 0 307.350 1.183 20 5 DDBDRO C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC001353459252 877346906 /nfs/dbraw/zinc/34/69/06/877346906.db2.gz YHMPPFHURJMGFG-CHWSQXEVSA-N 1 0 320.393 1.982 20 5 DDBDRO O=C(N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001353515085 877392244 /nfs/dbraw/zinc/39/22/44/877392244.db2.gz SRUXZKOXOURGOZ-IACUBPJLSA-N 1 0 302.334 1.513 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001355200746 878460203 /nfs/dbraw/zinc/46/02/03/878460203.db2.gz YKTRHPQRFHRZGL-MRXNPFEDSA-N 1 0 319.361 1.962 20 5 DDBDRO COc1ccc(COC(=O)C[C@@H](O)C[N+](C)(C)C)cc1OC ZINC001223514867 880988386 /nfs/dbraw/zinc/98/83/86/880988386.db2.gz AIPOTBCUYKPYMB-CYBMUJFWSA-N 1 0 312.386 1.204 20 5 DDBDRO COC(=O)[C@@H](O[C@H](C)C[N+](C)(C)C)c1ccccc1[N+](=O)[O-] ZINC001223649686 881044554 /nfs/dbraw/zinc/04/45/54/881044554.db2.gz UTMWFVCOFRBBMX-RISCZKNCSA-N 1 0 311.358 1.920 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc(-c2ncco2)cc1 ZINC001233733664 887260783 /nfs/dbraw/zinc/26/07/83/887260783.db2.gz FBSONPRXRSQTTK-CYBMUJFWSA-N 1 0 305.354 1.704 20 5 DDBDRO COC(=O)c1cnc(O[C@H]2CC[N@@H+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC001233863030 887397546 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20 5 DDBDRO NC(=O)NC1CC[NH+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254598668 896524884 /nfs/dbraw/zinc/52/48/84/896524884.db2.gz LMIBOSWGFIVNAC-CQSZACIVSA-N 1 0 304.350 1.195 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1CCC[C@@H](n3cncn3)C1)C2 ZINC001254604341 896528927 /nfs/dbraw/zinc/52/89/27/896528927.db2.gz VUOYQSNAEDPGDC-CVEARBPZSA-N 1 0 313.361 1.991 20 5 DDBDRO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1cc([N+](=O)[O-])c[nH]1 ZINC001292987079 914139008 /nfs/dbraw/zinc/13/90/08/914139008.db2.gz PJUQSOCTUALSND-ZDUSSCGKSA-N 1 0 322.365 1.296 20 5 DDBDRO CC[C@]1(c2nc(-c3ccc(N)c([N+](=O)[O-])c3)no2)CC[NH2+]C1 ZINC001261484027 899600978 /nfs/dbraw/zinc/60/09/78/899600978.db2.gz MOZMYOGJTYBVBV-AWEZNQCLSA-N 1 0 303.322 1.868 20 5 DDBDRO C[C@H](C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)Cn1ccnc1 ZINC001262562557 900245207 /nfs/dbraw/zinc/24/52/07/900245207.db2.gz DZFCCXBRPPIPQB-IUODEOHRSA-N 1 0 304.350 1.751 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](CC[NH3+])C(F)F ZINC000449612076 230622506 /nfs/dbraw/zinc/62/25/06/230622506.db2.gz JRFCGDAKOMHHEP-SECBINFHSA-N 1 0 303.265 1.316 20 5 DDBDRO CC[C@H](CO)[NH+]1CCN(Cc2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000305856383 529388081 /nfs/dbraw/zinc/38/80/81/529388081.db2.gz WOXNFHMUUXPXJB-CQSZACIVSA-N 1 0 323.393 1.492 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000449208217 282166933 /nfs/dbraw/zinc/16/69/33/282166933.db2.gz RBSXFIZXWPCDPH-CHWSQXEVSA-N 1 0 318.377 1.760 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC000452348654 231356126 /nfs/dbraw/zinc/35/61/26/231356126.db2.gz LIZUDGYTNRJYCZ-CQSZACIVSA-N 1 0 321.377 1.480 20 5 DDBDRO CC[N@@H+]1CC[C@H](N(C)CCn2cc([N+](=O)[O-])ccc2=O)[C@H](C)C1 ZINC000090554611 185303151 /nfs/dbraw/zinc/30/31/51/185303151.db2.gz XKLIMMWUUVNKCH-HIFRSBDPSA-N 1 0 322.409 1.419 20 5 DDBDRO COC[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccccc1 ZINC000181651024 199332738 /nfs/dbraw/zinc/33/27/38/199332738.db2.gz MDYRXTUOVUPFMV-OAHLLOKOSA-N 1 0 317.345 1.734 20 5 DDBDRO CN(CC(C)(C)C[NH3+])S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000443452407 529845679 /nfs/dbraw/zinc/84/56/79/529845679.db2.gz HTADNVYXQQIUPH-UHFFFAOYSA-N 1 0 315.395 1.341 20 5 DDBDRO C[N@H+](CCNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000444853605 529916943 /nfs/dbraw/zinc/91/69/43/529916943.db2.gz VABQDNMPWWBVTF-UHFFFAOYSA-N 1 0 322.365 1.690 20 5 DDBDRO C[N@H+](CCNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000294534640 529913011 /nfs/dbraw/zinc/91/30/11/529913011.db2.gz MGMJRSINSRIXJD-UHFFFAOYSA-N 1 0 319.361 1.768 20 5 DDBDRO CCOC(=O)c1cc(N2CC[N@H+](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000615494260 362306857 /nfs/dbraw/zinc/30/68/57/362306857.db2.gz JNFKRGRGCGEVHU-NSHDSACASA-N 1 0 307.350 1.912 20 5 DDBDRO CC(C)(O)C1C[NH+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000275606334 282323270 /nfs/dbraw/zinc/32/32/70/282323270.db2.gz JSMTXYNAUOOQHF-LBPRGKRZSA-N 1 0 310.350 1.037 20 5 DDBDRO C[NH2+]CCCNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000418283740 529967303 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186047858 /nfs/dbraw/zinc/04/78/58/186047858.db2.gz IKSGSEVREVJKBC-UHFFFAOYSA-N 1 0 304.350 1.609 20 5 DDBDRO CCCN(CC[NH+]1CCCC1)C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000287197633 219374141 /nfs/dbraw/zinc/37/41/41/219374141.db2.gz HWTXMOIZWYMXCY-UHFFFAOYSA-N 1 0 322.365 1.643 20 5 DDBDRO C[C@]1(O)CCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000280057662 215343687 /nfs/dbraw/zinc/34/36/87/215343687.db2.gz MLIVVGLHEIHZHX-HNNXBMFYSA-N 1 0 307.350 1.431 20 5 DDBDRO C[C@@H](C[NH2+]CCCCc1ccc([N+](=O)[O-])cc1)S(C)(=O)=O ZINC000564854563 304019394 /nfs/dbraw/zinc/01/93/94/304019394.db2.gz NFIJFIPFKRGUKJ-LBPRGKRZSA-N 1 0 314.407 1.940 20 5 DDBDRO C[NH+](C)[C@H](CNC(=O)Cn1cc([N+](=O)[O-])cn1)c1ccsc1 ZINC000025816284 352201893 /nfs/dbraw/zinc/20/18/93/352201893.db2.gz PPGLGEFWOLNKIW-GFCCVEGCSA-N 1 0 323.378 1.272 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)CC(=O)N(C)C ZINC000041894458 352317069 /nfs/dbraw/zinc/31/70/69/352317069.db2.gz KLGNBXYELUETCL-UHFFFAOYSA-N 1 0 322.365 1.252 20 5 DDBDRO C[C@H](C[NH+](C)C)NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000358535584 299190349 /nfs/dbraw/zinc/19/03/49/299190349.db2.gz XHMCJZRWCJFDJL-GFCCVEGCSA-N 1 0 308.382 1.729 20 5 DDBDRO C[C@H]1C[NH+](CCCNC(=O)c2ccc([N+](=O)[O-])o2)C[C@H](C)O1 ZINC000047669904 352507502 /nfs/dbraw/zinc/50/75/02/352507502.db2.gz CICVTNUZSVFCBY-QWRGUYRKSA-N 1 0 311.338 1.417 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCCCC[NH+]2CCOCC2)c1 ZINC000173109829 198185774 /nfs/dbraw/zinc/18/57/74/198185774.db2.gz KMHCYYRYRIDQJW-UHFFFAOYSA-N 1 0 321.377 1.745 20 5 DDBDRO CNC(=O)c1ccc(N2CCC[C@@H]([NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000057838522 352830858 /nfs/dbraw/zinc/83/08/58/352830858.db2.gz SBSSWZGDJJJVHR-GFCCVEGCSA-N 1 0 306.366 1.485 20 5 DDBDRO COCC[N@H+](C)CCCNC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000063466938 352912658 /nfs/dbraw/zinc/91/26/58/352912658.db2.gz MNOSXBWMRGYPDG-UHFFFAOYSA-N 1 0 309.366 1.601 20 5 DDBDRO C[C@@H]([NH2+]CCC(=O)N1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000173383964 198208231 /nfs/dbraw/zinc/20/82/31/198208231.db2.gz RZSJIAYAFQMHBA-CYBMUJFWSA-N 1 0 320.393 1.410 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000068467938 353113585 /nfs/dbraw/zinc/11/35/85/353113585.db2.gz IVFWJGOZOLJGFF-CYBMUJFWSA-N 1 0 321.381 1.187 20 5 DDBDRO CC[NH+]1CCN(CCNC(=O)c2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000173712160 198243689 /nfs/dbraw/zinc/24/36/89/198243689.db2.gz MFDNEQNOVIDGEA-UHFFFAOYSA-N 1 0 320.393 1.271 20 5 DDBDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccccc1[N+](=O)[O-] ZINC000069529192 353165810 /nfs/dbraw/zinc/16/58/10/353165810.db2.gz JPVJIFFOVWMPKC-LBPRGKRZSA-N 1 0 307.350 1.435 20 5 DDBDRO Cc1cc(NC[C@@H](O)C[NH+]2CCC(C)CC2)ncc1[N+](=O)[O-] ZINC000074749923 353328575 /nfs/dbraw/zinc/32/85/75/353328575.db2.gz FPOFCLWFTAKFAS-CYBMUJFWSA-N 1 0 308.382 1.803 20 5 DDBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000174534623 198349140 /nfs/dbraw/zinc/34/91/40/198349140.db2.gz MUWRMJKOXFZQHR-AWEZNQCLSA-N 1 0 305.378 1.938 20 5 DDBDRO CCC[N@H+](CC)CCNC(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000174668172 198367493 /nfs/dbraw/zinc/36/74/93/198367493.db2.gz LLLQXCLNPALXMR-UHFFFAOYSA-N 1 0 311.386 1.338 20 5 DDBDRO CC1CC[NH+](CCCCNc2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000076798425 353438752 /nfs/dbraw/zinc/43/87/52/353438752.db2.gz RFKWZZPNQSBCKA-UHFFFAOYSA-N 1 0 308.386 1.891 20 5 DDBDRO Cc1cnc(N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c([N+](=O)[O-])c1 ZINC000078664105 353527669 /nfs/dbraw/zinc/52/76/69/353527669.db2.gz IWLFBPLTDKCJQD-AWEZNQCLSA-N 1 0 319.409 1.514 20 5 DDBDRO CCn1cnnc1CC[NH2+]Cc1cc(OC)c(O)cc1[N+](=O)[O-] ZINC000085325922 353732395 /nfs/dbraw/zinc/73/23/95/353732395.db2.gz JBZLATITNGGSTB-UHFFFAOYSA-N 1 0 321.337 1.253 20 5 DDBDRO COC(=O)C(C)(C)[C@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000093280904 353892202 /nfs/dbraw/zinc/89/22/02/353892202.db2.gz OCSYQBJWULVUSF-LBPRGKRZSA-N 1 0 324.381 1.703 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000125157657 354043922 /nfs/dbraw/zinc/04/39/22/354043922.db2.gz DBYPIYSMVTVBOM-GHMZBOCLSA-N 1 0 313.379 1.451 20 5 DDBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@H]1CCCS1(=O)=O ZINC000131734221 354102275 /nfs/dbraw/zinc/10/22/75/354102275.db2.gz WENVQKWWZHNOCT-VUUYWXRKSA-N 1 0 310.375 1.775 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@H]2CCCCS2)c1 ZINC000156463578 354219272 /nfs/dbraw/zinc/21/92/72/354219272.db2.gz WHIVKQKDXVHLMT-VXGBXAGGSA-N 1 0 300.384 1.028 20 5 DDBDRO CN(CCC[NH3+])C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000158814629 354231774 /nfs/dbraw/zinc/23/17/74/354231774.db2.gz ATLVPYVECMYBEU-UHFFFAOYSA-N 1 0 303.322 1.201 20 5 DDBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000320806231 354529100 /nfs/dbraw/zinc/52/91/00/354529100.db2.gz CZNBQZIEFAHANV-KWQFWETISA-N 1 0 310.329 1.481 20 5 DDBDRO CC[NH+]1CCC(CNc2cc(N)c([N+](=O)[O-])c(CO)c2)CC1 ZINC000587459778 354883237 /nfs/dbraw/zinc/88/32/37/354883237.db2.gz UGWANFBAXBFSOG-UHFFFAOYSA-N 1 0 308.382 1.813 20 5 DDBDRO Nc1cc(N2CC[C@@H]([NH+]3CCCCC3)C2)cc(CO)c1[N+](=O)[O-] ZINC000587973471 354887750 /nfs/dbraw/zinc/88/77/50/354887750.db2.gz KJAYWKHHPFTSQZ-CYBMUJFWSA-N 1 0 320.393 1.734 20 5 DDBDRO Nc1cc(NC[C@H]2CC[N@@H+](C3CC3)C2)cc(CO)c1[N+](=O)[O-] ZINC000587178313 354881902 /nfs/dbraw/zinc/88/19/02/354881902.db2.gz FEQANMCDGPPXJP-SNVBAGLBSA-N 1 0 306.366 1.566 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000588862584 354944232 /nfs/dbraw/zinc/94/42/32/354944232.db2.gz GNUWJJLRWMGECZ-ZIAGYGMSSA-N 1 0 319.361 1.184 20 5 DDBDRO O=C(c1ccc([N+](=O)[O-])cc1F)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000588861875 354944279 /nfs/dbraw/zinc/94/42/79/354944279.db2.gz VTYRTBXSUPIVGC-VXGBXAGGSA-N 1 0 323.324 1.015 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]([NH+](C)C)[C@@H]2C)c1 ZINC000590566888 355115053 /nfs/dbraw/zinc/11/50/53/355115053.db2.gz RSCZECFOEAAQNN-GXFFZTMASA-N 1 0 307.350 1.768 20 5 DDBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000590404096 355086235 /nfs/dbraw/zinc/08/62/35/355086235.db2.gz UDMITAKAVIXUSI-FZMZJTMJSA-N 1 0 307.350 1.525 20 5 DDBDRO C[N@@H+]1C[C@H]2CCN(C(=O)CNc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000590442833 355096810 /nfs/dbraw/zinc/09/68/10/355096810.db2.gz HLYSCOOTNPVXSX-BXUZGUMPSA-N 1 0 304.350 1.169 20 5 DDBDRO C[C@H](CCN1CC[NH+](C)CC1)Nc1ncc([N+](=O)[O-])cc1F ZINC000591155720 355256540 /nfs/dbraw/zinc/25/65/40/355256540.db2.gz GDPCIDJXORKKPF-LLVKDONJSA-N 1 0 311.361 1.567 20 5 DDBDRO Cc1ccc(NCCCNC(=O)NC[C@@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000591352761 355296673 /nfs/dbraw/zinc/29/66/73/355296673.db2.gz KOEDLTRULBRQPW-LLVKDONJSA-N 1 0 309.370 1.352 20 5 DDBDRO [NH3+]C/C=C/CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000591360965 355301865 /nfs/dbraw/zinc/30/18/65/355301865.db2.gz RCJFISRTYAOTGD-ONEGZZNKSA-N 1 0 304.350 1.784 20 5 DDBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCC[NH2+]C1CC1 ZINC000591577324 355329758 /nfs/dbraw/zinc/32/97/58/355329758.db2.gz PYJGXWIMAUFJFJ-LLVKDONJSA-N 1 0 306.366 1.654 20 5 DDBDRO O=[N+]([O-])c1cc2c(cc1CN[C@@H]1CCC[NH2+]CC1)OCCO2 ZINC000591278573 355276974 /nfs/dbraw/zinc/27/69/74/355276974.db2.gz SIVGQOYCCJDJQZ-GFCCVEGCSA-N 1 0 307.350 1.598 20 5 DDBDRO Cc1ccc(NC(=O)C(=O)NC[C@H]2CCCC[NH2+]2)cc1[N+](=O)[O-] ZINC000591291963 355281049 /nfs/dbraw/zinc/28/10/49/355281049.db2.gz VGMJBUCWRRSAJG-GFCCVEGCSA-N 1 0 320.349 1.100 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000591301644 355284290 /nfs/dbraw/zinc/28/42/90/355284290.db2.gz LGQVUAXGBHKZRW-RISCZKNCSA-N 1 0 322.365 1.792 20 5 DDBDRO CN1CCC[C@@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000591733986 355373803 /nfs/dbraw/zinc/37/38/03/355373803.db2.gz SJHFNNOYBYLQBE-OLZOCXBDSA-N 1 0 309.366 1.018 20 5 DDBDRO C[C@H](C[C@@H]1CCOC1)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000591753900 355376877 /nfs/dbraw/zinc/37/68/77/355376877.db2.gz OMMWRTMBOZIBIW-IPYPFGDCSA-N 1 0 324.377 1.739 20 5 DDBDRO C[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000591758695 355378624 /nfs/dbraw/zinc/37/86/24/355378624.db2.gz JGZRDEXNACNLQO-KCQAQPDRSA-N 1 0 324.377 1.882 20 5 DDBDRO CO[C@@H]([C@H](C)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000591770595 355381672 /nfs/dbraw/zinc/38/16/72/355381672.db2.gz QFPJFPXKOHLTEX-PJODQICGSA-N 1 0 324.377 1.738 20 5 DDBDRO O=C(NC[C@H]1CCCC[NH2+]1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000591677237 355359833 /nfs/dbraw/zinc/35/98/33/355359833.db2.gz BDZYRRNZRXFVBN-SECBINFHSA-N 1 0 307.306 1.195 20 5 DDBDRO CC(C)[C@H]1CN(C(=O)COc2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000592246365 355546951 /nfs/dbraw/zinc/54/69/51/355546951.db2.gz KNTZEKUNLKBTNQ-GFCCVEGCSA-N 1 0 307.350 1.430 20 5 DDBDRO COc1cc(C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)cc([N+](=O)[O-])c1C ZINC000592246082 355547221 /nfs/dbraw/zinc/54/72/21/355547221.db2.gz KXTOYEINQBNUEC-WCQYABFASA-N 1 0 319.361 1.736 20 5 DDBDRO O=c1c(Br)cn(C[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000592161406 355522424 /nfs/dbraw/zinc/52/24/24/355522424.db2.gz QALLFCFNCZWWFD-ZETCQYMHSA-N 1 0 302.128 1.129 20 5 DDBDRO C[NH2+]C[C@H]1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000592468488 355591772 /nfs/dbraw/zinc/59/17/72/355591772.db2.gz APGGWVKARXLAFY-SECBINFHSA-N 1 0 307.306 1.005 20 5 DDBDRO CN(Cc1cc([N+](=O)[O-])ccc1OC(F)F)[C@H]1CC[NH2+]C1 ZINC000592427666 355580030 /nfs/dbraw/zinc/58/00/30/355580030.db2.gz OVVTVEIEPNKUDC-NSHDSACASA-N 1 0 301.293 1.990 20 5 DDBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@H](C)[NH3+] ZINC000592546803 355623109 /nfs/dbraw/zinc/62/31/09/355623109.db2.gz CQFWWZFRJUNDLN-JGVFFNPUSA-N 1 0 301.730 1.479 20 5 DDBDRO C[C@@H]1C[C@@H]([NH3+])CCN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000565157953 304047508 /nfs/dbraw/zinc/04/75/08/304047508.db2.gz RHOHQERMQIUALE-NEPJUHHUSA-N 1 0 306.366 1.369 20 5 DDBDRO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592554110 355626953 /nfs/dbraw/zinc/62/69/53/355626953.db2.gz CUQHFTWDGDNQJQ-VXGBXAGGSA-N 1 0 306.366 1.775 20 5 DDBDRO CC(C)(C(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1)n1cc([N+](=O)[O-])cn1 ZINC000592569060 355632580 /nfs/dbraw/zinc/63/25/80/355632580.db2.gz XSXNJLLFFUDUQG-LLVKDONJSA-N 1 0 321.381 1.317 20 5 DDBDRO O=C(CNc1ccccc1[N+](=O)[O-])N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000592569073 355632779 /nfs/dbraw/zinc/63/27/79/355632779.db2.gz YKBUVIMVZPBRGN-LBPRGKRZSA-N 1 0 318.377 1.798 20 5 DDBDRO CCCN(C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)[C@H]1CC[N@H+](C)C1 ZINC000592828097 355704883 /nfs/dbraw/zinc/70/48/83/355704883.db2.gz BNJAXCRZURDKHR-NSHDSACASA-N 1 0 308.338 1.252 20 5 DDBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000593050991 355780756 /nfs/dbraw/zinc/78/07/56/355780756.db2.gz JWJANWDZOIGRFT-ZDUSSCGKSA-N 1 0 320.393 1.362 20 5 DDBDRO C[C@@H]1C[N@H+](C)[C@H](C)[C@@H](C)N1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000593186965 355820083 /nfs/dbraw/zinc/82/00/83/355820083.db2.gz BMIJCOFGDXPBLU-JHJVBQTASA-N 1 0 321.377 1.913 20 5 DDBDRO CCO[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)C[C@H]1C[NH3+] ZINC000593764341 355989583 /nfs/dbraw/zinc/98/95/83/355989583.db2.gz SDFTVFAYNBEOAN-BXUZGUMPSA-N 1 0 322.365 1.731 20 5 DDBDRO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)Nc1ccncc1[N+](=O)[O-])C2 ZINC000593764062 355989912 /nfs/dbraw/zinc/98/99/12/355989912.db2.gz PTQRRSULLBHEPE-HZMBPMFUSA-N 1 0 305.338 1.004 20 5 DDBDRO CN(CC[NH+]1CCCCC1)C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000593882442 356040144 /nfs/dbraw/zinc/04/01/44/356040144.db2.gz HKRWLOHNZCTGQW-UHFFFAOYSA-N 1 0 321.377 1.918 20 5 DDBDRO C[C@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2N)[C@@H]1CC[NH3+] ZINC000593915639 356058100 /nfs/dbraw/zinc/05/81/00/356058100.db2.gz JIGWUWUBOCQWSG-CMPLNLGQSA-N 1 0 306.366 1.767 20 5 DDBDRO CN(CC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)c1ccccc1[N+](=O)[O-] ZINC000594102324 356113315 /nfs/dbraw/zinc/11/33/15/356113315.db2.gz JOXWMTIYPSDSSS-BETUJISGSA-N 1 0 320.393 1.487 20 5 DDBDRO CC(C)Oc1nc(N2CC[C@@H]3CC[NH2+][C@H]3C2)ccc1[N+](=O)[O-] ZINC000593931368 356066415 /nfs/dbraw/zinc/06/64/15/356066415.db2.gz KGCXBVXMWLSBAJ-RYUDHWBXSA-N 1 0 306.366 1.965 20 5 DDBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C[NH3+])C(F)(F)F)c1 ZINC000594451998 356222835 /nfs/dbraw/zinc/22/28/35/356222835.db2.gz WLMYJRGCTZZERF-VIFPVBQESA-N 1 0 323.296 1.936 20 5 DDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000594590845 356258489 /nfs/dbraw/zinc/25/84/89/356258489.db2.gz DRWYOQRDDCKHGS-KLPPZKSPSA-N 1 0 306.366 1.707 20 5 DDBDRO O=[N+]([O-])c1ncccc1N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000594600742 356262010 /nfs/dbraw/zinc/26/20/10/356262010.db2.gz VEYMOTJQLKICNT-ZDUSSCGKSA-N 1 0 306.366 1.681 20 5 DDBDRO Cn1nnc2c1CC[C@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])C2 ZINC000594511937 356240311 /nfs/dbraw/zinc/24/03/11/356240311.db2.gz ALSMGBZAMHRVSM-AGLBCWCQSA-N 1 0 313.361 1.884 20 5 DDBDRO C[C@@H]([NH2+][C@H]1CCc2c(nnn2C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000594519949 356241460 /nfs/dbraw/zinc/24/14/60/356241460.db2.gz HLQFJHPYORUUJZ-PWSUYJOCSA-N 1 0 301.350 1.931 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCN1CCOC[C@@H]1C ZINC000595014365 356372376 /nfs/dbraw/zinc/37/23/76/356372376.db2.gz UZQSVCQCXNYJJO-STQMWFEESA-N 1 0 323.393 1.975 20 5 DDBDRO CCS(=O)(=O)C1(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000594994344 356370311 /nfs/dbraw/zinc/37/03/11/356370311.db2.gz STTOTMFBMWTOAL-UHFFFAOYSA-N 1 0 312.391 1.960 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCCS(C)(=O)=O ZINC000595010279 356371514 /nfs/dbraw/zinc/37/15/14/356371514.db2.gz GBHSKWGUALQBPK-SNVBAGLBSA-N 1 0 316.379 1.689 20 5 DDBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000595272200 356428332 /nfs/dbraw/zinc/42/83/32/356428332.db2.gz AASYCVLQAGRXSQ-UHFFFAOYSA-N 1 0 318.377 1.531 20 5 DDBDRO Cc1noc(C[NH2+][C@@H](CC(N)=O)C2CCCCC2)c1[N+](=O)[O-] ZINC000595431785 356490600 /nfs/dbraw/zinc/49/06/00/356490600.db2.gz PBERJSZSIDGGGW-NSHDSACASA-N 1 0 310.354 1.805 20 5 DDBDRO CNC(=O)[C@H](C)C[N@H+](C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000081527107 192283393 /nfs/dbraw/zinc/28/33/93/192283393.db2.gz GJYIRGOOYTWISN-LLVKDONJSA-N 1 0 322.365 1.156 20 5 DDBDRO COc1ccc(C[N@H+](CCOCCO)C2CCC2)cc1[N+](=O)[O-] ZINC000595598488 356569437 /nfs/dbraw/zinc/56/94/37/356569437.db2.gz FDCVESROWLGZDA-UHFFFAOYSA-N 1 0 324.377 1.967 20 5 DDBDRO CCOc1ccc(C(=O)N2CCC[C@@H]2C[NH2+]C)cc1[N+](=O)[O-] ZINC000236901221 202062054 /nfs/dbraw/zinc/06/20/54/202062054.db2.gz ZYHWEUYZOXUCQQ-GFCCVEGCSA-N 1 0 307.350 1.818 20 5 DDBDRO CCCc1n[nH]c(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1[N+](=O)[O-] ZINC000236955179 202091101 /nfs/dbraw/zinc/09/11/01/202091101.db2.gz CDHWTGTYPBFAGV-ULKQDVFKSA-N 1 0 307.354 1.283 20 5 DDBDRO CN(C(=O)C[N@@H+]1C[C@H]2COC[C@]2(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000595756460 356638344 /nfs/dbraw/zinc/63/83/44/356638344.db2.gz GGPQELHCEMFEBK-LRDDRELGSA-N 1 0 319.361 1.526 20 5 DDBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC2CC1(C[NH3+])C2 ZINC000595911754 356701973 /nfs/dbraw/zinc/70/19/73/356701973.db2.gz WTHDFSRNPKNMGG-NLTNOIMHSA-N 1 0 304.350 1.345 20 5 DDBDRO C[NH2+]C[C@@H](C)NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000595981847 356734507 /nfs/dbraw/zinc/73/45/07/356734507.db2.gz FVOITBMTHLDYFQ-SNVBAGLBSA-N 1 0 303.322 1.118 20 5 DDBDRO C[NH2+]C[C@@H](C)NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000595984462 356736252 /nfs/dbraw/zinc/73/62/52/356736252.db2.gz UDSZLMZRRDOQAF-SNVBAGLBSA-N 1 0 303.322 1.118 20 5 DDBDRO CSc1ccc(C(=O)N2CC3CC2(C[NH3+])C3)cc1[N+](=O)[O-] ZINC000595944239 356716533 /nfs/dbraw/zinc/71/65/33/356716533.db2.gz FSAJKSPJROEZJC-UHFFFAOYSA-N 1 0 307.375 1.880 20 5 DDBDRO CN(CC[NH+]1CCCCC1)c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596293735 356847682 /nfs/dbraw/zinc/84/76/82/356847682.db2.gz DMSMUIOWHQPEIX-UHFFFAOYSA-N 1 0 306.366 1.616 20 5 DDBDRO Cc1c([C@H](C)NCc2nc(C[NH3+])cc(=O)[nH]2)cccc1[N+](=O)[O-] ZINC000596652777 356942592 /nfs/dbraw/zinc/94/25/92/356942592.db2.gz HJGWGGDLYPUSFM-JTQLQIEISA-N 1 0 317.349 1.708 20 5 DDBDRO C[NH+](C)CC1CN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000597708488 357295776 /nfs/dbraw/zinc/29/57/76/357295776.db2.gz MLSVMBBEJLZGEL-UHFFFAOYSA-N 1 0 302.334 1.710 20 5 DDBDRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cccc([N+](=O)[O-])c1N)C2 ZINC000597716645 357300072 /nfs/dbraw/zinc/30/00/72/357300072.db2.gz RAJXVZFYIVNQSF-MRXNPFEDSA-N 1 0 318.377 1.735 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000597926258 357385470 /nfs/dbraw/zinc/38/54/70/357385470.db2.gz WYGICCFJOROFKG-LLVKDONJSA-N 1 0 306.366 1.901 20 5 DDBDRO C[C@H](CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)[NH+](C)C ZINC000597998094 357413028 /nfs/dbraw/zinc/41/30/28/357413028.db2.gz OZUWQHWSSHVYNH-SECBINFHSA-N 1 0 309.322 1.394 20 5 DDBDRO O=C(Cn1cc([N+](=O)[O-])cn1)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000598218488 357497384 /nfs/dbraw/zinc/49/73/84/357497384.db2.gz GFYIFECFMIPLJL-LBPRGKRZSA-N 1 0 321.381 1.315 20 5 DDBDRO CN(CC1C[NH+](C)C1)C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000598163469 357479562 /nfs/dbraw/zinc/47/95/62/357479562.db2.gz PKNQOBRCNYAIDI-UHFFFAOYSA-N 1 0 307.350 1.384 20 5 DDBDRO CCC[N@@H+]1CC[C@@H](NC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000598341645 357544753 /nfs/dbraw/zinc/54/47/53/357544753.db2.gz FFOHHSVQAUMUMV-GFCCVEGCSA-N 1 0 307.350 1.574 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@H](C)[C@H](CO)C2)c1 ZINC000598649094 357670477 /nfs/dbraw/zinc/67/04/77/357670477.db2.gz VLVYQGHSLOKOAF-FZMZJTMJSA-N 1 0 322.361 1.832 20 5 DDBDRO NC(=O)c1ccc(CN2C[C@@H]3CCC[C@]3([NH3+])C2)c([N+](=O)[O-])c1 ZINC000598682862 357686449 /nfs/dbraw/zinc/68/64/49/357686449.db2.gz PLKQORNTRYKQFD-WFASDCNBSA-N 1 0 304.350 1.007 20 5 DDBDRO Cc1ccc(S(=O)(=O)N[C@@H]2CCC[NH2+]C2)c(C)c1[N+](=O)[O-] ZINC000598713364 357700694 /nfs/dbraw/zinc/70/06/94/357700694.db2.gz BKPPQPAUOCPDKN-LLVKDONJSA-N 1 0 313.379 1.242 20 5 DDBDRO Cc1ccc(S(=O)(=O)N(C)[C@@H](C)C[NH3+])c(C)c1[N+](=O)[O-] ZINC000598716508 357701885 /nfs/dbraw/zinc/70/18/85/357701885.db2.gz KFTGMIRSMJPVHP-VIFPVBQESA-N 1 0 301.368 1.179 20 5 DDBDRO [NH3+][C@]12CCC[C@H]1CN(S(=O)(=O)c1ccc([N+](=O)[O-])s1)C2 ZINC000598727751 357705867 /nfs/dbraw/zinc/70/58/67/357705867.db2.gz YWVUZWWATVYZAI-KWQFWETISA-N 1 0 317.392 1.158 20 5 DDBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CCN1CC[C@@H](O)C1)C1CC1 ZINC000599085949 357810890 /nfs/dbraw/zinc/81/08/90/357810890.db2.gz VYSKZSWXWHMWOC-CVEARBPZSA-N 1 0 319.405 1.572 20 5 DDBDRO O=[N+]([O-])c1ccn(C2CC[NH+](CCOC3CCOCC3)CC2)n1 ZINC000599395175 357921294 /nfs/dbraw/zinc/92/12/94/357921294.db2.gz BXBJHYXWBJRRPO-UHFFFAOYSA-N 1 0 324.381 1.624 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000599790197 358059443 /nfs/dbraw/zinc/05/94/43/358059443.db2.gz BEESUKBQMODZKE-GFCCVEGCSA-N 1 0 322.365 1.400 20 5 DDBDRO CCN(C(=O)c1cccc([N+](=O)[O-])c1N)C1CC[NH+](C)CC1 ZINC000599985318 358096904 /nfs/dbraw/zinc/09/69/04/358096904.db2.gz CALCZYFOURBFAL-UHFFFAOYSA-N 1 0 306.366 1.733 20 5 DDBDRO CCOC(=O)CN(C)C(=O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180437616 199159092 /nfs/dbraw/zinc/15/90/92/199159092.db2.gz SWAYGLMQLKYRJG-LLVKDONJSA-N 1 0 323.349 1.267 20 5 DDBDRO C[C@H]([NH2+]CC(=O)NCc1cccnc1)c1cccc([N+](=O)[O-])c1 ZINC000180405598 199154510 /nfs/dbraw/zinc/15/45/10/199154510.db2.gz OAPDJQJEYCLORY-LBPRGKRZSA-N 1 0 314.345 1.957 20 5 DDBDRO C[NH+](C)CCNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000180647941 199190799 /nfs/dbraw/zinc/19/07/99/199190799.db2.gz GAHLNPWNHSNQFE-UHFFFAOYSA-N 1 0 318.280 1.879 20 5 DDBDRO C[NH2+]C1(CNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CCC1 ZINC000600822829 358325256 /nfs/dbraw/zinc/32/52/56/358325256.db2.gz BBWHVTYAGUATPM-UHFFFAOYSA-N 1 0 303.322 1.343 20 5 DDBDRO Cc1cc(NC2CC[NH2+]CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000600961509 358358401 /nfs/dbraw/zinc/35/84/01/358358401.db2.gz RVZRVCNCSRHXRE-UHFFFAOYSA-N 1 0 313.361 1.946 20 5 DDBDRO C[NH+]1CCN(CCCNC(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000600963538 358360000 /nfs/dbraw/zinc/36/00/00/358360000.db2.gz XDWYYSBFHYIRRN-UHFFFAOYSA-N 1 0 324.356 1.101 20 5 DDBDRO C[NH+](C)CCOC1CCN(c2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000601115801 358408112 /nfs/dbraw/zinc/40/81/12/358408112.db2.gz KVAGHTQVJIAGID-UHFFFAOYSA-N 1 0 312.345 1.676 20 5 DDBDRO C[NH+]1CCN(CCNc2ccnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000601101355 358403118 /nfs/dbraw/zinc/40/31/18/358403118.db2.gz PITCELXFYJJJAJ-UHFFFAOYSA-N 1 0 315.377 1.224 20 5 DDBDRO C[NH+](C)C[C@H](CO)NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601591061 358615008 /nfs/dbraw/zinc/61/50/08/358615008.db2.gz ZDLIFMJONYVQPU-CYBMUJFWSA-N 1 0 321.377 1.055 20 5 DDBDRO COc1cccc(C(=O)N2CCC[C@H]3C[NH2+]CC[C@H]32)c1[N+](=O)[O-] ZINC000601553582 358598813 /nfs/dbraw/zinc/59/88/13/358598813.db2.gz OSYPCVIVWNYGKE-WCQYABFASA-N 1 0 319.361 1.818 20 5 DDBDRO CCC1([NH+](C)C)CCN(C(=O)c2[nH]nc(C)c2[N+](=O)[O-])CC1 ZINC000601792284 358697312 /nfs/dbraw/zinc/69/73/12/358697312.db2.gz UWYPVDSJNGDFLM-UHFFFAOYSA-N 1 0 309.370 1.573 20 5 DDBDRO O=C1[C@H]([N@@H+]2C[C@@H]3COC[C@@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000601975500 358761913 /nfs/dbraw/zinc/76/19/13/358761913.db2.gz WJOAFGPUCVUYEV-TYNCELHUSA-N 1 0 317.345 1.278 20 5 DDBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000601976697 358762775 /nfs/dbraw/zinc/76/27/75/358762775.db2.gz XRHWIBZOXMUSPL-WBMJQRKESA-N 1 0 319.361 1.622 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)c1 ZINC000601976252 358762918 /nfs/dbraw/zinc/76/29/18/358762918.db2.gz OZUNMULPHBJFPN-BETUJISGSA-N 1 0 306.318 1.460 20 5 DDBDRO C[N@@H+]1CC[C@@H](CC(=O)N[C@@](C)(CO)c2cccc([N+](=O)[O-])c2)C1 ZINC000602195462 358876463 /nfs/dbraw/zinc/87/64/63/358876463.db2.gz LSUJJTKVKJUDQE-LRDDRELGSA-N 1 0 321.377 1.260 20 5 DDBDRO O=C(N[C@H]1CCC[NH2+]C1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000602424995 358967533 /nfs/dbraw/zinc/96/75/33/358967533.db2.gz OBHUSGPMBNWSLA-ZDUSSCGKSA-N 1 0 303.362 1.885 20 5 DDBDRO Cn1nccc1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602511769 359021547 /nfs/dbraw/zinc/02/15/47/359021547.db2.gz RJJXZMNPSHHTNK-UHFFFAOYSA-N 1 0 316.365 1.482 20 5 DDBDRO CC1(C)CN(CC[NH2+]CCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000602545303 359036933 /nfs/dbraw/zinc/03/69/33/359036933.db2.gz PITPLTZMSUOQAU-UHFFFAOYSA-N 1 0 307.394 1.838 20 5 DDBDRO C[C@@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C[C@H](C)O ZINC000602557735 359044087 /nfs/dbraw/zinc/04/40/87/359044087.db2.gz HBQYUMKXAUHSLB-OLZOCXBDSA-N 1 0 322.409 1.955 20 5 DDBDRO CNc1ccc(C(=O)N2CCC[C@@H]3C[NH2+]CC[C@H]32)cc1[N+](=O)[O-] ZINC000602605033 359068773 /nfs/dbraw/zinc/06/87/73/359068773.db2.gz RLLDZYAPTXSBPY-TZMCWYRMSA-N 1 0 318.377 1.851 20 5 DDBDRO CC1(C)[C@@H](O)C[C@@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602620236 359079333 /nfs/dbraw/zinc/07/93/33/359079333.db2.gz AAPVKGQMYUWFNR-KBPBESRZSA-N 1 0 320.393 1.708 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@]2(CCCOC2)C1 ZINC000602786924 359191266 /nfs/dbraw/zinc/19/12/66/359191266.db2.gz ZUUQCNJJDZKQCK-HNNXBMFYSA-N 1 0 308.382 1.992 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000602795312 359197915 /nfs/dbraw/zinc/19/79/15/359197915.db2.gz HUHOLHMXOWNHJD-JSGCOSHPSA-N 1 0 318.381 1.879 20 5 DDBDRO Cn1cc([C@@H]2C[N@H+](Cc3cn(C)nc3[N+](=O)[O-])CC2(C)C)cn1 ZINC000602832560 359223961 /nfs/dbraw/zinc/22/39/61/359223961.db2.gz PXPBLJQCIWLKAN-ZDUSSCGKSA-N 1 0 318.381 1.687 20 5 DDBDRO CC[N@@H+]1CCN(C(=O)Nc2c(C)cncc2[N+](=O)[O-])C[C@@H]1C ZINC000602953163 359318315 /nfs/dbraw/zinc/31/83/15/359318315.db2.gz PHZRKVNZCQLMME-NSHDSACASA-N 1 0 307.354 1.278 20 5 DDBDRO Cc1cncc([N+](=O)[O-])c1NC(=O)N1CC[NH+](C2CCC2)CC1 ZINC000602954724 359319822 /nfs/dbraw/zinc/31/98/22/359319822.db2.gz DNNSBFCZPNBWOW-UHFFFAOYSA-N 1 0 319.365 1.422 20 5 DDBDRO Cc1cc(C)n(CC[NH2+][C@@](C)(CO)c2cccc([N+](=O)[O-])c2)n1 ZINC000602963290 359326240 /nfs/dbraw/zinc/32/62/40/359326240.db2.gz ULFQXXPIRDWMAW-INIZCTEOSA-N 1 0 318.377 1.905 20 5 DDBDRO Cn1cc(CN2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)c([N+](=O)[O-])n1 ZINC000603430037 359635312 /nfs/dbraw/zinc/63/53/12/359635312.db2.gz QMXRAGKGYXVYIO-GXTWGEPZSA-N 1 0 319.340 1.394 20 5 DDBDRO Cn1cc(CN2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c([N+](=O)[O-])n1 ZINC000603430812 359635380 /nfs/dbraw/zinc/63/53/80/359635380.db2.gz VAKBWAAXQAJUND-WPRPVWTQSA-N 1 0 321.303 1.287 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000604483695 359755232 /nfs/dbraw/zinc/75/52/32/359755232.db2.gz VKZXCBJKGVGWBY-UHFFFAOYSA-N 1 0 323.397 1.525 20 5 DDBDRO C[C@@H](NC(=O)COc1ccccc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000604551756 359765534 /nfs/dbraw/zinc/76/55/34/359765534.db2.gz CEGJQBNQAKXTJL-GFCCVEGCSA-N 1 0 321.377 1.820 20 5 DDBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188278692 200221418 /nfs/dbraw/zinc/22/14/18/200221418.db2.gz RUHDWMAYXRNKKS-JOYOIKCWSA-N 1 0 315.732 1.907 20 5 DDBDRO C[C@H]([NH2+]C[C@@H](O)CN1CCCC1=O)c1ccc([N+](=O)[O-])cc1 ZINC000451106372 299303311 /nfs/dbraw/zinc/30/33/11/299303311.db2.gz OTNXDTURVDZMOK-SMDDNHRTSA-N 1 0 307.350 1.229 20 5 DDBDRO CC[N@@H+]1CC[C@@H](CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000609357430 360300554 /nfs/dbraw/zinc/30/05/54/360300554.db2.gz INVWVGHFTKJLGN-JTQLQIEISA-N 1 0 321.333 1.395 20 5 DDBDRO C[N@@H+]1CCCC[C@@H]1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000609550422 360322634 /nfs/dbraw/zinc/32/26/34/360322634.db2.gz WXZCQUDVIWTMOF-CQSZACIVSA-N 1 0 307.350 1.574 20 5 DDBDRO C[C@H]1C[C@@H](NCc2cc3c(cc2[N+](=O)[O-])OCCO3)CC[N@@H+]1C ZINC000610271195 360405472 /nfs/dbraw/zinc/40/54/72/360405472.db2.gz JWMXABVBMAZRSW-AAEUAGOBSA-N 1 0 321.377 1.938 20 5 DDBDRO Cc1nn(C)c(N2CCC[N@H+](C[C@H]3CCCO3)CC2)c1[N+](=O)[O-] ZINC000610489220 360450148 /nfs/dbraw/zinc/45/01/48/360450148.db2.gz QUCGXBYJTQTJEI-CYBMUJFWSA-N 1 0 323.397 1.328 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c1 ZINC000610677392 360501791 /nfs/dbraw/zinc/50/17/91/360501791.db2.gz AEQYLHVPPQVUET-GDBMZVCRSA-N 1 0 305.378 1.939 20 5 DDBDRO C[C@H](CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)[NH+](C)C ZINC000359035547 299312912 /nfs/dbraw/zinc/31/29/12/299312912.db2.gz BMGPUIBMQZXIFC-MRVPVSSYSA-N 1 0 317.292 1.876 20 5 DDBDRO CCC[C@H]([NH2+]CCc1nnnn1C)c1cccc([N+](=O)[O-])c1 ZINC000611327641 360699510 /nfs/dbraw/zinc/69/95/10/360699510.db2.gz NRVGMRHXMSXILL-ZDUSSCGKSA-N 1 0 304.354 1.792 20 5 DDBDRO C[NH+](C)[C@H](CNc1cc(N)c([N+](=O)[O-])c(CO)c1)c1ccco1 ZINC000611525047 360746902 /nfs/dbraw/zinc/74/69/02/360746902.db2.gz GKMIHGAJLGWUEF-CYBMUJFWSA-N 1 0 320.349 1.977 20 5 DDBDRO CCC[N@H+](C)C[C@H]1CCN(c2cc(N)c([N+](=O)[O-])c(CO)c2)C1 ZINC000611525671 360747072 /nfs/dbraw/zinc/74/70/72/360747072.db2.gz DFPKHRLMPACTER-GFCCVEGCSA-N 1 0 322.409 1.837 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CCN1CCN(c2cc[nH+]cc2)CC1 ZINC000611533299 360751127 /nfs/dbraw/zinc/75/11/27/360751127.db2.gz UXSBRDHXUXHYTO-UHFFFAOYSA-N 1 0 316.365 1.317 20 5 DDBDRO COCC[N@@H+]1CCC[C@@H](NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000611556115 360758803 /nfs/dbraw/zinc/75/88/03/360758803.db2.gz IEUMILWRLSRWIU-GFCCVEGCSA-N 1 0 323.349 1.141 20 5 DDBDRO CC1(C)[C@H]([NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]2CCO[C@@H]21 ZINC000271899471 209308702 /nfs/dbraw/zinc/30/87/02/209308702.db2.gz VHSVESKTYMEWJP-VQISRLSMSA-N 1 0 319.361 1.936 20 5 DDBDRO C[C@@H](O)C[N@@H+]1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H](C)C1 ZINC000281389934 216267552 /nfs/dbraw/zinc/26/75/52/216267552.db2.gz GGBLTGDWLZNXDJ-GHMZBOCLSA-N 1 0 319.365 1.362 20 5 DDBDRO CCC[NH2+]CCNS(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000193346421 201035012 /nfs/dbraw/zinc/03/50/12/201035012.db2.gz VFMMGYZVFKMJJP-UHFFFAOYSA-N 1 0 315.395 1.490 20 5 DDBDRO CC(C)[C@H](CNc1cc(N)ccc1[N+](=O)[O-])[NH+]1CCN(C)CC1 ZINC000193381473 201043419 /nfs/dbraw/zinc/04/34/19/201043419.db2.gz UBVAEJYFPLNVHO-INIZCTEOSA-N 1 0 321.425 1.861 20 5 DDBDRO C[C@]1(C(N)=O)CC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000619434451 364006954 /nfs/dbraw/zinc/00/69/54/364006954.db2.gz OINCDVNJWHYZLW-HNNXBMFYSA-N 1 0 321.333 1.063 20 5 DDBDRO C[C@](O)(CO)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000619464241 364023797 /nfs/dbraw/zinc/02/37/97/364023797.db2.gz DBNVQFHIOFUAOG-OAHLLOKOSA-N 1 0 306.318 1.688 20 5 DDBDRO O=[N+]([O-])c1cnc(N2CCC[N@H+](C[C@@H]3CCCO3)CC2)s1 ZINC000619694485 364117490 /nfs/dbraw/zinc/11/74/90/364117490.db2.gz QIICHKIHGZRFAQ-NSHDSACASA-N 1 0 312.395 1.742 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](CCO)CCCOC ZINC000275403633 212311611 /nfs/dbraw/zinc/31/16/11/212311611.db2.gz FGMBLQBADZLCKL-UHFFFAOYSA-N 1 0 312.366 1.824 20 5 DDBDRO CO[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000275247720 212223311 /nfs/dbraw/zinc/22/33/11/212223311.db2.gz POHPZIQMRCCLIF-JSGCOSHPSA-N 1 0 307.350 1.741 20 5 DDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261719764 203101913 /nfs/dbraw/zinc/10/19/13/203101913.db2.gz GUWRSVVGMPYAOO-PHIMTYICSA-N 1 0 304.350 1.249 20 5 DDBDRO O=C(COc1ccccc1[N+](=O)[O-])N1CCC2(CC[NH2+]C2)CC1 ZINC000261885520 203144133 /nfs/dbraw/zinc/14/41/33/203144133.db2.gz UPZAWXCRFORDLS-UHFFFAOYSA-N 1 0 319.361 1.576 20 5 DDBDRO C[C@H]1C[C@@H](C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)CC[NH2+]1 ZINC000262327847 203262056 /nfs/dbraw/zinc/26/20/56/203262056.db2.gz DUNGOOJJINBSJN-IUCAKERBSA-N 1 0 303.322 1.798 20 5 DDBDRO NC(=O)C[N@H+](CCC1CCCCC1)CCn1cc([N+](=O)[O-])cn1 ZINC000350090389 284146206 /nfs/dbraw/zinc/14/62/06/284146206.db2.gz DIBBQHGSXCIAOG-UHFFFAOYSA-N 1 0 323.397 1.549 20 5 DDBDRO Cc1nn(CCC(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)c(C)c1[N+](=O)[O-] ZINC000262569175 203333639 /nfs/dbraw/zinc/33/36/39/203333639.db2.gz FZJVGLAQPUGZEM-ZWNOBZJWSA-N 1 0 323.397 1.384 20 5 DDBDRO CN(CCN1CC[NH2+]CC1)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000093633648 193277199 /nfs/dbraw/zinc/27/71/99/193277199.db2.gz FHUYZBJNPAJCJP-UHFFFAOYSA-N 1 0 312.801 1.585 20 5 DDBDRO COc1ccc(NC(=O)C[NH2+][C@H]2C[C@@H](O)C2(C)C)c([N+](=O)[O-])c1 ZINC000566425515 304154069 /nfs/dbraw/zinc/15/40/69/304154069.db2.gz ZLTMHORCDGDHLJ-QWHCGFSZSA-N 1 0 323.349 1.291 20 5 DDBDRO CC1(C)CN(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000350628910 284227224 /nfs/dbraw/zinc/22/72/24/284227224.db2.gz YCKPIEGJIUWDLK-UHFFFAOYSA-N 1 0 311.357 1.934 20 5 DDBDRO NC(=O)[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000282802548 217260506 /nfs/dbraw/zinc/26/05/06/217260506.db2.gz XGPLYJLMHXXMFM-ZDUSSCGKSA-N 1 0 320.349 1.263 20 5 DDBDRO CC(C)[C@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000160006213 197379693 /nfs/dbraw/zinc/37/96/93/197379693.db2.gz XWVMXXSAOFAONE-LBPRGKRZSA-N 1 0 323.397 1.804 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000337147826 249365790 /nfs/dbraw/zinc/36/57/90/249365790.db2.gz QCWRUTRXEVYQSS-CHWSQXEVSA-N 1 0 323.397 1.508 20 5 DDBDRO Cn1cc([C@H](CO)[NH2+]CCOc2ccccc2[N+](=O)[O-])cn1 ZINC000274064996 211321958 /nfs/dbraw/zinc/32/19/58/211321958.db2.gz QRDXUSYNAMHMCI-LBPRGKRZSA-N 1 0 306.322 1.030 20 5 DDBDRO O=C(N[C@H](CO)C[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000288578544 220255512 /nfs/dbraw/zinc/25/55/12/220255512.db2.gz RJLJXNSHQNHZAI-ZDUSSCGKSA-N 1 0 307.350 1.171 20 5 DDBDRO C[C@H](CNc1ncc([N+](=O)[O-])cc1C(N)=O)[N@@H+]1CCCC[C@H]1C ZINC000339003568 250242503 /nfs/dbraw/zinc/24/25/03/250242503.db2.gz OCJKYRYAEGHHQS-GHMZBOCLSA-N 1 0 321.381 1.764 20 5 DDBDRO C[NH+](C)CC[C@@](C)(O)CNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000352118218 284798345 /nfs/dbraw/zinc/79/83/45/284798345.db2.gz AHDBUIFTUNPKDO-MRXNPFEDSA-N 1 0 323.393 1.346 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCC[C@H]1CC[NH2+]C1 ZINC000110797713 194358934 /nfs/dbraw/zinc/35/89/34/194358934.db2.gz OTMCYOSYZPTCMR-LLVKDONJSA-N 1 0 313.379 1.181 20 5 DDBDRO C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)NC(=O)NC1CC1 ZINC000056196673 184006818 /nfs/dbraw/zinc/00/68/18/184006818.db2.gz GCYYIFNOMLEBKH-UWVGGRQHSA-N 1 0 320.349 1.622 20 5 DDBDRO C[NH+](C)[C@H](CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)C1CC1 ZINC000352225734 284879838 /nfs/dbraw/zinc/87/98/38/284879838.db2.gz NSEONWREBHPPQU-GFCCVEGCSA-N 1 0 321.333 1.394 20 5 DDBDRO CCOC1CC[NH+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000060485381 184150115 /nfs/dbraw/zinc/15/01/15/184150115.db2.gz GPCCHVQACZZDKM-UHFFFAOYSA-N 1 0 307.350 1.695 20 5 DDBDRO Cc1n[nH]c(C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c1[N+](=O)[O-] ZINC000269110136 207250169 /nfs/dbraw/zinc/25/01/69/207250169.db2.gz IESJCWOIFWESRD-GHMZBOCLSA-N 1 0 307.354 1.183 20 5 DDBDRO COc1cc(C(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)cc([N+](=O)[O-])c1OC ZINC000269179307 207300458 /nfs/dbraw/zinc/30/04/58/207300458.db2.gz COUSUGXPWSNPLD-MWLCHTKSSA-N 1 0 323.349 1.421 20 5 DDBDRO C[NH+](C)Cc1cccc(NC(=O)CCn2cc([N+](=O)[O-])cn2)c1 ZINC000065777936 184379773 /nfs/dbraw/zinc/37/97/73/184379773.db2.gz KOEQHFOAJGPXOG-UHFFFAOYSA-N 1 0 317.349 1.882 20 5 DDBDRO COc1cc(C(=O)N[C@](C)(C[NH3+])C2CC2)cc([N+](=O)[O-])c1OC ZINC000269233723 207358436 /nfs/dbraw/zinc/35/84/36/207358436.db2.gz WDEMIJVENZMLEL-OAHLLOKOSA-N 1 0 323.349 1.469 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CC2=CCCOC2)c1 ZINC000567708491 304235519 /nfs/dbraw/zinc/23/55/19/304235519.db2.gz PTAUEPAXUYVKPY-CQSZACIVSA-N 1 0 308.334 1.271 20 5 DDBDRO COCC[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000330703796 532967655 /nfs/dbraw/zinc/96/76/55/532967655.db2.gz JLUGTVUMVWKBQW-GFCCVEGCSA-N 1 0 311.357 1.886 20 5 DDBDRO Cc1cc(C)c(S(=O)(=O)N[C@@H](C)CC[NH3+])cc1[N+](=O)[O-] ZINC000440853654 291822242 /nfs/dbraw/zinc/82/22/42/291822242.db2.gz BVMJWWBUOXPHQF-JTQLQIEISA-N 1 0 301.368 1.227 20 5 DDBDRO C[NH+](C)CCCNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000119788951 195037073 /nfs/dbraw/zinc/03/70/73/195037073.db2.gz JMRKDHCNAAGUPZ-UHFFFAOYSA-N 1 0 302.334 1.825 20 5 DDBDRO O=[N+]([O-])c1ccc(-c2noc(N3CC[C@]4(CC[NH2+]C4)C3)n2)cc1 ZINC000420233822 285106900 /nfs/dbraw/zinc/10/69/00/285106900.db2.gz WYYNJVKJQRCWRM-HNNXBMFYSA-N 1 0 315.333 1.835 20 5 DDBDRO C[N@H+](CCC(=O)N1CCOCC1)CCc1ccccc1[N+](=O)[O-] ZINC000352537796 285124338 /nfs/dbraw/zinc/12/43/38/285124338.db2.gz AGOBUXCQHJLRSH-UHFFFAOYSA-N 1 0 321.377 1.318 20 5 DDBDRO O=[N+]([O-])c1ccccc1N1CC[NH+](CCC2OCCCO2)CC1 ZINC000267070095 285163583 /nfs/dbraw/zinc/16/35/83/285163583.db2.gz OJXOTXWOEYLKRX-UHFFFAOYSA-N 1 0 321.377 1.870 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000415504197 533143055 /nfs/dbraw/zinc/14/30/55/533143055.db2.gz PCHCGHMPTIQXFU-ZJUUUORDSA-N 1 0 308.338 1.995 20 5 DDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)[C@@H]1CCC[C@@H]1O ZINC000352661576 285205435 /nfs/dbraw/zinc/20/54/35/285205435.db2.gz UHYODYGAFIUJQW-HONMWMINSA-N 1 0 307.350 1.767 20 5 DDBDRO [NH3+]CC12CCC(CC1)CN2C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000568151547 304269106 /nfs/dbraw/zinc/26/91/06/304269106.db2.gz DZWWLFDPRGNXNI-UHFFFAOYSA-N 1 0 319.361 1.704 20 5 DDBDRO O=C(CNc1ccccc1[N+](=O)[O-])NCCC[C@H]1CCC[NH2+]1 ZINC000294800290 224230132 /nfs/dbraw/zinc/23/01/32/224230132.db2.gz IHYDDTHHVWQGLA-GFCCVEGCSA-N 1 0 306.366 1.655 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)NCCC[C@@H]2CCC[NH2+]2)c1 ZINC000294709104 533212297 /nfs/dbraw/zinc/21/22/97/533212297.db2.gz ACRGBQRVIAJYDQ-NSHDSACASA-N 1 0 307.350 1.865 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CN[C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000422711130 533223138 /nfs/dbraw/zinc/22/31/38/533223138.db2.gz GRAUZRNZMPFUIJ-AAEUAGOBSA-N 1 0 309.366 1.460 20 5 DDBDRO CC(C)[C@](C)(CO)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000352889889 285364679 /nfs/dbraw/zinc/36/46/79/285364679.db2.gz BJWQTSTWTNALSR-DOMZBBRYSA-N 1 0 312.366 1.331 20 5 DDBDRO COC[C@H](CCO)[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447543161 285375351 /nfs/dbraw/zinc/37/53/51/285375351.db2.gz REDOMVRZCDVRCW-RWMBFGLXSA-N 1 0 312.370 1.262 20 5 DDBDRO Cc1cc(NC(=O)NCCOCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000352903661 285376339 /nfs/dbraw/zinc/37/63/39/285376339.db2.gz SUQAACAWLGGIOZ-UHFFFAOYSA-N 1 0 310.354 1.603 20 5 DDBDRO CO[C@@H]1CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000451539475 533415860 /nfs/dbraw/zinc/41/58/60/533415860.db2.gz FISFUGJRPFNBHY-IVMMDQJWSA-N 1 0 324.377 1.691 20 5 DDBDRO COc1cc(C(=O)N[C@@H]2CC[NH2+][C@H](C)C2)cc([N+](=O)[O-])c1C ZINC000423619199 533549032 /nfs/dbraw/zinc/54/90/32/533549032.db2.gz IBCFQDKZAIPTPZ-BXKDBHETSA-N 1 0 307.350 1.782 20 5 DDBDRO COc1ccc(CNC(=O)NCCC[NH2+]C2CC2)cc1[N+](=O)[O-] ZINC000417198833 533611132 /nfs/dbraw/zinc/61/11/32/533611132.db2.gz SCOYAFWPOMSFSS-UHFFFAOYSA-N 1 0 322.365 1.545 20 5 DDBDRO C[C@H](NC(=O)NCC[C@H]1CC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000417138946 533644902 /nfs/dbraw/zinc/64/49/02/533644902.db2.gz OONCPFHHWHGBLL-NWDGAFQWSA-N 1 0 306.366 1.955 20 5 DDBDRO C[C@H](NC(=O)N[C@@H](CC[NH3+])C(F)F)c1cccc([N+](=O)[O-])c1 ZINC000417144823 533666497 /nfs/dbraw/zinc/66/64/97/533666497.db2.gz WKKMHKACXIPZIJ-KWQFWETISA-N 1 0 316.308 1.938 20 5 DDBDRO O=C(NCC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1ccn[nH]1 ZINC000568647058 304303797 /nfs/dbraw/zinc/30/37/97/304303797.db2.gz JSEDINYBVVHRJY-LBPRGKRZSA-N 1 0 315.333 1.325 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@@H](CCO)C1CCCCC1 ZINC000183727598 296532498 /nfs/dbraw/zinc/53/24/98/296532498.db2.gz IRZBWNVEOXOYDO-HNNXBMFYSA-N 1 0 323.393 1.677 20 5 DDBDRO COc1ccc(C(=O)N2CCC3(CC[NH2+]3)CC2)cc1[N+](=O)[O-] ZINC000579711330 422818274 /nfs/dbraw/zinc/81/82/74/422818274.db2.gz NPNUHQRQBQYHOK-UHFFFAOYSA-N 1 0 305.334 1.572 20 5 DDBDRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000417768691 533674327 /nfs/dbraw/zinc/67/43/27/533674327.db2.gz RUQBPYYYRWKEEN-WCQYABFASA-N 1 0 306.366 1.435 20 5 DDBDRO COC(=O)COc1ccc(C[NH2+]CC[C@H](C)O)cc1[N+](=O)[O-] ZINC000353755638 285909445 /nfs/dbraw/zinc/90/94/45/285909445.db2.gz COHJPYFMTROOLK-JTQLQIEISA-N 1 0 312.322 1.007 20 5 DDBDRO O=[N+]([O-])c1cccc(Cl)c1CN1CC[C@@H](CO)[C@H](O)C1 ZINC000569167160 304339272 /nfs/dbraw/zinc/33/92/72/304339272.db2.gz QUENTRCVUDZEGQ-TVQRCGJNSA-N 1 0 300.742 1.423 20 5 DDBDRO CCOC(=O)c1ccnc(N2CCC[C@H]2C[NH+](C)C)c1[N+](=O)[O-] ZINC000268603407 285968726 /nfs/dbraw/zinc/96/87/26/285968726.db2.gz KJEUFEXJEYFOKO-NSHDSACASA-N 1 0 322.365 1.697 20 5 DDBDRO C[C@@H]1C[C@@H](O)C[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000452095064 533675203 /nfs/dbraw/zinc/67/52/03/533675203.db2.gz KOTBOXWRTBVDEL-MRVWCRGKSA-N 1 0 310.350 1.037 20 5 DDBDRO COC(=O)CCC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000072664936 406884363 /nfs/dbraw/zinc/88/43/63/406884363.db2.gz POUOZFKHKUONEC-NSHDSACASA-N 1 0 308.338 1.429 20 5 DDBDRO CC[NH+]1CCN(CCNC(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000075851614 406943121 /nfs/dbraw/zinc/94/31/21/406943121.db2.gz XDFAQFDNWAIMBY-UHFFFAOYSA-N 1 0 312.395 1.024 20 5 DDBDRO C[NH+](C)[C@@H](CNC(=O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000047921130 407083018 /nfs/dbraw/zinc/08/30/18/407083018.db2.gz HUOHJKKTKOKISC-ZDUSSCGKSA-N 1 0 307.350 1.430 20 5 DDBDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000055758719 407207263 /nfs/dbraw/zinc/20/72/63/407207263.db2.gz OZNOBUJGUHRTRN-JHJVBQTASA-N 1 0 323.397 1.274 20 5 DDBDRO Cc1nn(CCC(=O)N2CC[NH+](C(C)C)CC2)c(C)c1[N+](=O)[O-] ZINC000102329214 407321512 /nfs/dbraw/zinc/32/15/12/407321512.db2.gz QJYZUMZHCUAZEL-UHFFFAOYSA-N 1 0 323.397 1.351 20 5 DDBDRO C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000108406007 407385765 /nfs/dbraw/zinc/38/57/65/407385765.db2.gz VKVPKPDLTCPHOU-VIFPVBQESA-N 1 0 319.408 1.276 20 5 DDBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)C[NH+]1CCCC1 ZINC000125790698 407398069 /nfs/dbraw/zinc/39/80/69/407398069.db2.gz PSERGQPIQXPYSG-JTQLQIEISA-N 1 0 308.338 1.157 20 5 DDBDRO CC(C)C[C@H](C[NH3+])NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000111830193 407417558 /nfs/dbraw/zinc/41/75/58/407417558.db2.gz IACDSGXYOXHCFX-SNVBAGLBSA-N 1 0 301.368 1.247 20 5 DDBDRO Cc1nn(C)c(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000128959089 407584230 /nfs/dbraw/zinc/58/42/30/407584230.db2.gz KJXPIWYRIBJJOG-NSHDSACASA-N 1 0 311.386 1.343 20 5 DDBDRO CC(C)(C[NH3+])NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000151896941 407521818 /nfs/dbraw/zinc/52/18/18/407521818.db2.gz SFYVJVUBIBMXND-UHFFFAOYSA-N 1 0 303.322 1.248 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000113990730 407533641 /nfs/dbraw/zinc/53/36/41/407533641.db2.gz RUFAMAJKTATUEZ-UHFFFAOYSA-N 1 0 322.365 1.139 20 5 DDBDRO C[NH+](C)[C@H]1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000170863853 407534161 /nfs/dbraw/zinc/53/41/61/407534161.db2.gz OQTWPIKJNXMVOU-NSHDSACASA-N 1 0 302.334 1.852 20 5 DDBDRO CC[C@H]1CN(c2ncc(C)cc2[N+](=O)[O-])CC[N@@H+]1C[C@H](C)O ZINC000266225988 407534826 /nfs/dbraw/zinc/53/48/26/407534826.db2.gz RODHGCRBOYKLJS-STQMWFEESA-N 1 0 308.382 1.580 20 5 DDBDRO COC[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)C1CC1 ZINC000178682081 407546191 /nfs/dbraw/zinc/54/61/91/407546191.db2.gz WXBDTTJGAPALCH-AWEZNQCLSA-N 1 0 308.334 1.976 20 5 DDBDRO COc1cc(C(=O)NC[C@@H](C)[N@H+](C)C2CC2)ccc1[N+](=O)[O-] ZINC000171104466 407598805 /nfs/dbraw/zinc/59/88/05/407598805.db2.gz CFRIQMDDWBTZLV-SNVBAGLBSA-N 1 0 307.350 1.816 20 5 DDBDRO C[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C[C@@H]1CCOC1 ZINC000178778194 407598903 /nfs/dbraw/zinc/59/89/03/407598903.db2.gz CFNWXVIPWOQQDO-LBPRGKRZSA-N 1 0 319.361 1.452 20 5 DDBDRO Cn1cnnc1C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000152290421 407603083 /nfs/dbraw/zinc/60/30/83/407603083.db2.gz DDNCWCUUBFEMDO-ZDUSSCGKSA-N 1 0 301.350 1.834 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000227064791 407626608 /nfs/dbraw/zinc/62/66/08/407626608.db2.gz UJSQUHFPOFUUQO-CMPLNLGQSA-N 1 0 313.379 1.261 20 5 DDBDRO CCc1n[nH]c(C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000171276992 407644780 /nfs/dbraw/zinc/64/47/80/407644780.db2.gz BGVVDARMYISUEE-LLVKDONJSA-N 1 0 323.397 1.731 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186498914 407682746 /nfs/dbraw/zinc/68/27/46/407682746.db2.gz SUGSMVWTABDJHR-NSHDSACASA-N 1 0 304.350 1.655 20 5 DDBDRO Cc1nccn1CCC[N@@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000130491253 407693587 /nfs/dbraw/zinc/69/35/87/407693587.db2.gz KFMWQFQMIZNZHO-UHFFFAOYSA-N 1 0 319.365 1.284 20 5 DDBDRO C[NH+](C)C1CN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000130504298 407697372 /nfs/dbraw/zinc/69/73/72/407697372.db2.gz BGSFFZDPKJOJFS-UHFFFAOYSA-N 1 0 300.318 1.529 20 5 DDBDRO CC(C)OCC[NH+]1CCC(Nc2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000267029499 407722462 /nfs/dbraw/zinc/72/24/62/407722462.db2.gz KJMRWYMXNMXVAN-UHFFFAOYSA-N 1 0 324.385 1.268 20 5 DDBDRO CCO[C@@H]1C[C@@]([NH3+])(C(=O)NCc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000186716088 407754054 /nfs/dbraw/zinc/75/40/54/407754054.db2.gz DZXUCNXCRYHZGE-CZUORRHYSA-N 1 0 321.377 1.744 20 5 DDBDRO CC[C@H](C)[C@H]([NH3+])C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000237011639 407788749 /nfs/dbraw/zinc/78/87/49/407788749.db2.gz YUDKLWYGBPVINC-WFASDCNBSA-N 1 0 320.393 1.617 20 5 DDBDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000272319174 407864023 /nfs/dbraw/zinc/86/40/23/407864023.db2.gz SZAJRQRVSBVLCF-NXEZZACHSA-N 1 0 311.313 1.308 20 5 DDBDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C1 ZINC000272317948 407865052 /nfs/dbraw/zinc/86/50/52/407865052.db2.gz STESWZNKOXCDEY-MNOVXSKESA-N 1 0 306.366 1.470 20 5 DDBDRO Cc1cccc(C(=O)NCCC[NH+]2CCC(O)CC2)c1[N+](=O)[O-] ZINC000118723210 407937114 /nfs/dbraw/zinc/93/71/14/407937114.db2.gz JZCHAJZWKYKKPK-UHFFFAOYSA-N 1 0 321.377 1.480 20 5 DDBDRO CC(C)[N@H+](C)CC(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000135532096 408028642 /nfs/dbraw/zinc/02/86/42/408028642.db2.gz JASJCATXCOAPOF-GFCCVEGCSA-N 1 0 321.381 1.343 20 5 DDBDRO CN(C)C(=O)CC[NH+]1CCN(c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000268429084 408040529 /nfs/dbraw/zinc/04/05/29/408040529.db2.gz ZUUPWKUWHAOTPY-UHFFFAOYSA-N 1 0 324.356 1.334 20 5 DDBDRO COC(=O)[C@H](O)C1CC[NH+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000135373753 408009477 /nfs/dbraw/zinc/00/94/77/408009477.db2.gz PYRPPUGCTDTNHI-XHDPSFHLSA-N 1 0 322.361 1.902 20 5 DDBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](CCOCC(F)F)C2)nc1 ZINC000189677571 408076606 /nfs/dbraw/zinc/07/66/06/408076606.db2.gz VBZSFNHBNMBFGS-JTQLQIEISA-N 1 0 316.308 1.758 20 5 DDBDRO NC(=O)C[C@@H]1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000175211416 408081241 /nfs/dbraw/zinc/08/12/41/408081241.db2.gz GQXKKMVTSFDMAP-LBPRGKRZSA-N 1 0 307.350 1.561 20 5 DDBDRO COc1ccc(C[N@@H+]2CCC[C@H](CC(N)=O)C2)cc1[N+](=O)[O-] ZINC000175242729 408085842 /nfs/dbraw/zinc/08/58/42/408085842.db2.gz CAZGNSMIEPJELL-LLVKDONJSA-N 1 0 307.350 1.691 20 5 DDBDRO C[C@@H](O)C[C@H]1CCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182242512 408103874 /nfs/dbraw/zinc/10/38/74/408103874.db2.gz LTJHUTQBLAQSHH-MCIONIFRSA-N 1 0 324.377 1.570 20 5 DDBDRO CN(C(=O)C[N@H+](CC(C)(C)O)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000189907761 408134014 /nfs/dbraw/zinc/13/40/14/408134014.db2.gz ALYDQVDWZCRYHB-UHFFFAOYSA-N 1 0 321.377 1.793 20 5 DDBDRO CO[C@H]1CCC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000246122138 408147756 /nfs/dbraw/zinc/14/77/56/408147756.db2.gz NMZBZPAPDWCOTL-HIFRSBDPSA-N 1 0 310.350 1.445 20 5 DDBDRO CCC1(O)CC[NH+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000273415438 408190428 /nfs/dbraw/zinc/19/04/28/408190428.db2.gz YFQGGOXXGOCPEI-ZDUSSCGKSA-N 1 0 324.377 1.571 20 5 DDBDRO C[NH2+][C@@H]1CCCN(C(=O)CCn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000151034791 408244577 /nfs/dbraw/zinc/24/45/77/408244577.db2.gz DREASAIPKRTSRM-GFCCVEGCSA-N 1 0 309.370 1.009 20 5 DDBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])C1 ZINC000269481613 408323812 /nfs/dbraw/zinc/32/38/12/408323812.db2.gz KITZUAOVXDLMHN-LLVKDONJSA-N 1 0 323.397 1.998 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCN(c3ccccc3)CC2)n1 ZINC000176189214 408304574 /nfs/dbraw/zinc/30/45/74/408304574.db2.gz HOHRRQGMLGOMAK-UHFFFAOYSA-N 1 0 301.350 1.614 20 5 DDBDRO NC(=O)c1ccc(CN2CC[C@@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000170744634 162191211 /nfs/dbraw/zinc/19/12/11/162191211.db2.gz YIZACUORYGYLSK-CQSZACIVSA-N 1 0 318.377 1.364 20 5 DDBDRO COC[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000183485916 408423620 /nfs/dbraw/zinc/42/36/20/408423620.db2.gz NXTMXHZJXODITP-STQMWFEESA-N 1 0 310.350 1.349 20 5 DDBDRO COCC[N@@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000264483719 408510465 /nfs/dbraw/zinc/51/04/65/408510465.db2.gz IFZBUTRPJZUCBB-GFCCVEGCSA-N 1 0 307.350 1.354 20 5 DDBDRO COCC[N@@H+]1CC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000264538368 408526836 /nfs/dbraw/zinc/52/68/36/408526836.db2.gz AGVMVPBCJHUVEQ-LBPRGKRZSA-N 1 0 308.338 1.437 20 5 DDBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000183647007 408461920 /nfs/dbraw/zinc/46/19/20/408461920.db2.gz JZYVFDJWOQDEMM-LLVKDONJSA-N 1 0 307.354 1.795 20 5 DDBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000176875085 408464830 /nfs/dbraw/zinc/46/48/30/408464830.db2.gz CCNVEFNKQAZBND-CQSZACIVSA-N 1 0 309.366 1.681 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000160275576 408468015 /nfs/dbraw/zinc/46/80/15/408468015.db2.gz MYGUREPZZLBXPI-SECBINFHSA-N 1 0 323.378 1.423 20 5 DDBDRO COc1cccc(C(=O)NCC2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000192480898 408595058 /nfs/dbraw/zinc/59/50/58/408595058.db2.gz PRJASTYWZGISNG-UHFFFAOYSA-N 1 0 307.350 1.675 20 5 DDBDRO C[C@]1(C(N)=O)CCCCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000248609008 408597008 /nfs/dbraw/zinc/59/70/08/408597008.db2.gz PTKVMDNXRUNWII-UKRRQHHQSA-N 1 0 307.350 1.358 20 5 DDBDRO COc1cccc(C(=O)N2CCC[C@@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000192501238 408600792 /nfs/dbraw/zinc/60/07/92/408600792.db2.gz YBGQMYZHAYWPRN-LLVKDONJSA-N 1 0 307.350 1.770 20 5 DDBDRO Cc1cc(C(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)c(N)c([N+](=O)[O-])c1 ZINC000177170846 408541626 /nfs/dbraw/zinc/54/16/26/408541626.db2.gz KREAXUGTWZHSSU-QWRGUYRKSA-N 1 0 318.377 1.840 20 5 DDBDRO CCCc1n[nH]c(C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000177562467 408656828 /nfs/dbraw/zinc/65/68/28/408656828.db2.gz HRIBHUNEUYLXSH-MNOVXSKESA-N 1 0 323.397 1.873 20 5 DDBDRO Cc1cc(C(=O)NCCC[NH+]2CCC(O)CC2)cc([N+](=O)[O-])c1 ZINC000265467766 408660806 /nfs/dbraw/zinc/66/08/06/408660806.db2.gz DQKOUHHXFJQUPJ-UHFFFAOYSA-N 1 0 321.377 1.480 20 5 DDBDRO C[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C[C@@H]1CCOC1 ZINC000178343327 408808360 /nfs/dbraw/zinc/80/83/60/408808360.db2.gz LSBBIXZBEFWHTH-JSGCOSHPSA-N 1 0 310.350 1.303 20 5 DDBDRO C[C@H](CNC(=O)Cn1ccc([N+](=O)[O-])n1)[N@@H+]1CCC[C@H](C)C1 ZINC000249890884 408770121 /nfs/dbraw/zinc/77/01/21/408770121.db2.gz STEKDNZZAHAXKO-NWDGAFQWSA-N 1 0 309.370 1.028 20 5 DDBDRO CC(C)[C@H](C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[NH+](C)C ZINC000285837207 408874627 /nfs/dbraw/zinc/87/46/27/408874627.db2.gz SPGROQRBASQBIW-GFCCVEGCSA-N 1 0 305.338 1.996 20 5 DDBDRO Cc1cc(S(=O)(=O)N[C@@H](C)C[NH+](C)C)cc([N+](=O)[O-])c1F ZINC000168709352 408819012 /nfs/dbraw/zinc/81/90/12/408819012.db2.gz AXFBKVBMSBJDIN-VIFPVBQESA-N 1 0 319.358 1.271 20 5 DDBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000280891854 408853739 /nfs/dbraw/zinc/85/37/39/408853739.db2.gz QBIZATYGINPLMA-CZUORRHYSA-N 1 0 303.362 1.643 20 5 DDBDRO CCC[N@@H+]1CC[C@H](CNc2nc(C(=O)OC)ccc2[N+](=O)[O-])C1 ZINC000280914791 408858046 /nfs/dbraw/zinc/85/80/46/408858046.db2.gz FGIKPOUAUZGSDP-LLVKDONJSA-N 1 0 322.365 1.920 20 5 DDBDRO [NH3+]CC[C@@H]1CCCCN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000285949703 408894830 /nfs/dbraw/zinc/89/48/30/408894830.db2.gz GFXGRFSMNADUBT-LBPRGKRZSA-N 1 0 306.366 1.737 20 5 DDBDRO COC(=O)c1cc(NC(=O)CC[C@H]2CCC[NH2+]2)cc([N+](=O)[O-])c1 ZINC000291700947 408909823 /nfs/dbraw/zinc/90/98/23/408909823.db2.gz FHOUKYPUVYKYCY-LLVKDONJSA-N 1 0 321.333 1.852 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H]1CCOC[C@H]1C ZINC000277297263 408914040 /nfs/dbraw/zinc/91/40/40/408914040.db2.gz CFCPFXQQBDEHCD-PWSUYJOCSA-N 1 0 323.349 1.557 20 5 DDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000277413196 408936033 /nfs/dbraw/zinc/93/60/33/408936033.db2.gz CIPCRYDABPEHCH-ZDUSSCGKSA-N 1 0 318.377 1.924 20 5 DDBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000193637237 163262393 /nfs/dbraw/zinc/26/23/93/163262393.db2.gz ATNUHCIATGAWLG-UPJWGTAASA-N 1 0 318.377 1.415 20 5 DDBDRO COCC[NH2+]CCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000212766865 163329608 /nfs/dbraw/zinc/32/96/08/163329608.db2.gz VTGXMTMASLLUER-UHFFFAOYSA-N 1 0 301.730 1.214 20 5 DDBDRO COc1ccc(OCC[NH2+][C@@H]2CCOC[C@H]2C)c([N+](=O)[O-])c1 ZINC000277445358 408942957 /nfs/dbraw/zinc/94/29/57/408942957.db2.gz LPNBPAWEOCEAQW-DGCLKSJQSA-N 1 0 310.350 1.997 20 5 DDBDRO COC(=O)[C@]1(C)C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000282261603 409021331 /nfs/dbraw/zinc/02/13/31/409021331.db2.gz CVQMMJVAEOFLSY-DIOULYMOSA-N 1 0 322.361 1.759 20 5 DDBDRO CCc1n[nH]c(C(=O)N(CC)CCC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000277908380 409032530 /nfs/dbraw/zinc/03/25/30/409032530.db2.gz HQDAPTGWJPZLKQ-UHFFFAOYSA-N 1 0 323.397 1.828 20 5 DDBDRO Cc1cc(C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)c(N)c([N+](=O)[O-])c1 ZINC000293244665 409075428 /nfs/dbraw/zinc/07/54/28/409075428.db2.gz FLLXOTCJASZQNK-ZYHUDNBSSA-N 1 0 304.350 1.309 20 5 DDBDRO CN(C(=O)CN1CCC[C@H](CO)C1)c1ccc([N+](=O)[O-])cc1 ZINC000283104571 409089129 /nfs/dbraw/zinc/08/91/29/409089129.db2.gz WUOBBMLRHXXXIJ-LBPRGKRZSA-N 1 0 307.350 1.262 20 5 DDBDRO C[C@H](NC[C@@H](O)C[NH+]1CCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293607219 409147577 /nfs/dbraw/zinc/14/75/77/409147577.db2.gz GIUCNAASJYYCCI-WCQYABFASA-N 1 0 308.382 1.284 20 5 DDBDRO C[C@@H]1CN(C(=O)c2nn(C)cc2[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000293786034 409179395 /nfs/dbraw/zinc/17/93/95/409179395.db2.gz WMCLEHXZQJQFAY-NSHDSACASA-N 1 0 321.381 1.275 20 5 DDBDRO Cc1cc(C(=O)Nc2ccnn2CC[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000294171033 409252870 /nfs/dbraw/zinc/25/28/70/409252870.db2.gz SNSYXTZXDFXVHA-UHFFFAOYSA-N 1 0 317.349 1.914 20 5 DDBDRO CN(CC(=O)NCC[N@H+]1CC=CCC1)c1ccccc1[N+](=O)[O-] ZINC000280311969 409289656 /nfs/dbraw/zinc/28/96/56/409289656.db2.gz SYOVTIJTYHFNQX-UHFFFAOYSA-N 1 0 318.377 1.409 20 5 DDBDRO C[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])CC(C)(C)CO ZINC000295241772 409393236 /nfs/dbraw/zinc/39/32/36/409393236.db2.gz PKMZTDOWVRGMSS-LBPRGKRZSA-N 1 0 312.366 1.285 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCO[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000285393356 409426367 /nfs/dbraw/zinc/42/63/67/409426367.db2.gz XGDODKWQKXMXBR-UONOGXRCSA-N 1 0 319.361 1.448 20 5 DDBDRO C[NH+](C)[C@@H](CNc1nccc(C(N)=O)c1[N+](=O)[O-])c1ccco1 ZINC000290547285 409440172 /nfs/dbraw/zinc/44/01/72/409440172.db2.gz QAKCUZAGZBTGHD-JTQLQIEISA-N 1 0 319.321 1.397 20 5 DDBDRO C[C@@H]1CN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC[N@@H+](C2CC2)C1 ZINC000295336939 409440837 /nfs/dbraw/zinc/44/08/37/409440837.db2.gz MJQDJEDTFBHFBF-JTQLQIEISA-N 1 0 320.349 1.252 20 5 DDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H](C)CCCC[NH3+] ZINC000314694531 164016112 /nfs/dbraw/zinc/01/61/12/164016112.db2.gz LIGMKIWESJGGGV-SNVBAGLBSA-N 1 0 315.395 1.699 20 5 DDBDRO Nc1c(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc(F)cc1[N+](=O)[O-] ZINC000324549123 164051064 /nfs/dbraw/zinc/05/10/64/164051064.db2.gz YAEUHGAPYHMVND-GHMZBOCLSA-N 1 0 322.340 1.673 20 5 DDBDRO Cn1cc([N+](=O)[O-])c(C(=O)N2CCC3(CCC[N@@H+]3C)CC2)n1 ZINC000408223283 164266849 /nfs/dbraw/zinc/26/68/49/164266849.db2.gz TZDJMLWCGKDESQ-UHFFFAOYSA-N 1 0 307.354 1.029 20 5 DDBDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1c1ncc([N+](=O)[O-])cc1F ZINC000408462546 164338579 /nfs/dbraw/zinc/33/85/79/164338579.db2.gz AAMDYPAXLPYZLH-LLVKDONJSA-N 1 0 324.356 1.818 20 5 DDBDRO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000354008012 409597737 /nfs/dbraw/zinc/59/77/37/409597737.db2.gz HBWSVRMKCMSNMY-NWDGAFQWSA-N 1 0 323.397 1.948 20 5 DDBDRO Cc1ccc(C[NH2+]C[C@@](C)(O)CN2CCOCC2)cc1[N+](=O)[O-] ZINC000304355609 409614810 /nfs/dbraw/zinc/61/48/10/409614810.db2.gz SFDYOVZNCGHBCK-MRXNPFEDSA-N 1 0 323.393 1.076 20 5 DDBDRO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000356867443 409677386 /nfs/dbraw/zinc/67/73/86/409677386.db2.gz YRBZYJRZROCSEU-QWRGUYRKSA-N 1 0 309.341 1.827 20 5 DDBDRO CCOc1cc(C(=O)NCC2([NH3+])CCC2)c([N+](=O)[O-])cc1OC ZINC000342587002 409742017 /nfs/dbraw/zinc/74/20/17/409742017.db2.gz LASCJFULVLWJFU-UHFFFAOYSA-N 1 0 323.349 1.613 20 5 DDBDRO COc1ccc(CNC(=O)[C@@H]2CCC[NH2+][C@H]2C)cc1[N+](=O)[O-] ZINC000342719271 409843099 /nfs/dbraw/zinc/84/30/99/409843099.db2.gz FLDQSTPYWMMZSD-CMPLNLGQSA-N 1 0 307.350 1.608 20 5 DDBDRO CCC[N@@H+]1CCC[C@H]1C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000354523325 409917956 /nfs/dbraw/zinc/91/79/56/409917956.db2.gz WTSXUCGTYYGEMC-ZDUSSCGKSA-N 1 0 317.349 2.284 20 5 DDBDRO C[C@H]([NH2+][C@H]1CCCN(C)[C@@H]1C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000342737008 409861031 /nfs/dbraw/zinc/86/10/31/409861031.db2.gz NQNDZCHSFPLJQU-ZOWXZIJZSA-N 1 0 320.393 1.994 20 5 DDBDRO CNc1ccc(C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000317099095 409861701 /nfs/dbraw/zinc/86/17/01/409861701.db2.gz BIAQNKFBILJHQE-JQWIXIFHSA-N 1 0 306.366 1.849 20 5 DDBDRO C[N@@H+]1CCCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000297711004 409967970 /nfs/dbraw/zinc/96/79/70/409967970.db2.gz BIPGGAYTFCACRJ-UHFFFAOYSA-N 1 0 324.356 1.700 20 5 DDBDRO CC1(C)CN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC[NH2+]1 ZINC000332240319 410007889 /nfs/dbraw/zinc/00/78/89/410007889.db2.gz IWBVWJOXNSNFQF-UHFFFAOYSA-N 1 0 316.361 1.760 20 5 DDBDRO C[NH+](C)[C@@H]1CC[C@H](NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000332233686 410002209 /nfs/dbraw/zinc/00/22/09/410002209.db2.gz NHRXSTNEJUEKCJ-WDEREUQCSA-N 1 0 321.333 1.536 20 5 DDBDRO C[C@@H](Cn1cccn1)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000298481787 410248846 /nfs/dbraw/zinc/24/88/46/410248846.db2.gz GCOSNYAXIDPCFM-GXTWGEPZSA-N 1 0 320.349 1.209 20 5 DDBDRO COc1cccc(-c2nc(Cc3cncn3C)no2)c1[N+](=O)[O-] ZINC000346939349 410262182 /nfs/dbraw/zinc/26/21/82/410262182.db2.gz NHXUDZSWFMSFAI-UHFFFAOYSA-N 1 0 315.289 1.978 20 5 DDBDRO C[C@@H]1CN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@H]1O ZINC000351779757 410228344 /nfs/dbraw/zinc/22/83/44/410228344.db2.gz KJRSNMHUEZBJHK-BXKDBHETSA-N 1 0 304.306 1.457 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000351861522 410300185 /nfs/dbraw/zinc/30/01/85/410300185.db2.gz MABGXQZQRQDGFE-NEPJUHHUSA-N 1 0 306.366 1.511 20 5 DDBDRO COc1cc(C(=O)N[C@@H]2CCC[N@H+](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000343462144 410469871 /nfs/dbraw/zinc/46/98/71/410469871.db2.gz SVSKYJSTVGPQLM-ZYHUDNBSSA-N 1 0 307.350 1.816 20 5 DDBDRO CC1=CC[N@H+](CCNC(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000355332113 410447091 /nfs/dbraw/zinc/44/70/91/410447091.db2.gz FXGCQWULLLEQNN-UHFFFAOYSA-N 1 0 318.377 1.775 20 5 DDBDRO COC(=O)COc1ccc(C[N@@H+]2CCC[C@H]2CO)cc1[N+](=O)[O-] ZINC000355595390 410600192 /nfs/dbraw/zinc/60/01/92/410600192.db2.gz HAKOXHIFFBCXNF-LBPRGKRZSA-N 1 0 324.333 1.103 20 5 DDBDRO CCC[C@H]1C[NH2+]CCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000359051468 410549810 /nfs/dbraw/zinc/54/98/10/410549810.db2.gz FEFJLNAFVMPPFH-ZDUSSCGKSA-N 1 0 306.366 1.268 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCC1CCC(C[NH3+])CC1 ZINC000343594284 410559491 /nfs/dbraw/zinc/55/94/91/410559491.db2.gz AMOCUBGZWRARJR-UHFFFAOYSA-N 1 0 323.397 1.371 20 5 DDBDRO C[C@H]1C[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cn3)CC2)CCO1 ZINC000301095795 410655197 /nfs/dbraw/zinc/65/51/97/410655197.db2.gz NKNCEVFAGDVEPZ-LBPRGKRZSA-N 1 0 306.366 1.679 20 5 DDBDRO CNC(=O)c1ccc(N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000301430494 410720606 /nfs/dbraw/zinc/72/06/06/410720606.db2.gz QEUQLFADGMXJQH-DGCLKSJQSA-N 1 0 320.393 1.873 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)C1(S(C)(=O)=O)CC1 ZINC000353045114 410755252 /nfs/dbraw/zinc/75/52/52/410755252.db2.gz HFXZEKDWGTUKDC-NSHDSACASA-N 1 0 312.391 1.959 20 5 DDBDRO C[C@@H]1CN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H](C)C[N@@H+]1C ZINC000330585674 410800062 /nfs/dbraw/zinc/80/00/62/410800062.db2.gz LMJAWGNPQMDSOE-VNHYZAJKSA-N 1 0 323.393 1.359 20 5 DDBDRO CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1)[C@H]1C[NH+]2CCC1CC2 ZINC000347936752 410804374 /nfs/dbraw/zinc/80/43/74/410804374.db2.gz XPHBWWYBAQHSAN-AWEZNQCLSA-N 1 0 307.325 1.900 20 5 DDBDRO COc1c(C(=O)N2CCC[C@@H]2C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000331059665 410925299 /nfs/dbraw/zinc/92/52/99/410925299.db2.gz NDOVMWFIORWHIE-LLVKDONJSA-N 1 0 307.350 1.770 20 5 DDBDRO C[C@@H]1C[C@H](NC(=O)NCCc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000341187161 410925278 /nfs/dbraw/zinc/92/52/78/410925278.db2.gz CGVZSRHUSOHKHF-TZMCWYRMSA-N 1 0 320.393 1.919 20 5 DDBDRO COCCN1CC[C@@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000341203370 410933846 /nfs/dbraw/zinc/93/38/46/410933846.db2.gz CUIMAOXLHDTCTD-ZDTYVGOBSA-N 1 0 305.378 1.918 20 5 DDBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cc([N+](=O)[O-])nn1C ZINC000356319017 410963265 /nfs/dbraw/zinc/96/32/65/410963265.db2.gz YTYLLAMMRNCNDP-MNOVXSKESA-N 1 0 307.354 1.027 20 5 DDBDRO CC(C)[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC[N@@H+]1C ZINC000331135295 410969353 /nfs/dbraw/zinc/96/93/53/410969353.db2.gz KHKZBGYDEBFGLC-GFCCVEGCSA-N 1 0 308.338 1.108 20 5 DDBDRO C[NH+](C)Cc1ccc(CNC(=O)c2cc([N+](=O)[O-])n[nH]2)cc1 ZINC000348657342 411049907 /nfs/dbraw/zinc/04/99/07/411049907.db2.gz UILRIXNYBZMUOD-UHFFFAOYSA-N 1 0 303.322 1.310 20 5 DDBDRO CC1CCC([NH+]2CCN(c3ncc([N+](=O)[O-])c(N)n3)CC2)CC1 ZINC000360341351 411129075 /nfs/dbraw/zinc/12/90/75/411129075.db2.gz HQJUXYKPUYKPFP-UHFFFAOYSA-N 1 0 320.397 1.668 20 5 DDBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000571519091 304467622 /nfs/dbraw/zinc/46/76/22/304467622.db2.gz AYTVTXRQKXSDAO-MNOVXSKESA-N 1 0 306.366 1.788 20 5 DDBDRO COc1ccc(C[NH2+]Cc2cnc(C)[nH]c2=O)cc1[N+](=O)[O-] ZINC000344324846 411091251 /nfs/dbraw/zinc/09/12/51/411091251.db2.gz LBLITZDGGCJHEJ-UHFFFAOYSA-N 1 0 304.306 1.697 20 5 DDBDRO C[C@@]1(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCC[NH2+]C1 ZINC000129180921 196026820 /nfs/dbraw/zinc/02/68/20/196026820.db2.gz DKLRPOHVJVOQAI-CYBMUJFWSA-N 1 0 313.379 1.263 20 5 DDBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3ccc(N)c([N+](=O)[O-])c3)CC[C@@H]21 ZINC000129186877 196027633 /nfs/dbraw/zinc/02/76/33/196027633.db2.gz ZXCFQFNQFWDPJU-JSGCOSHPSA-N 1 0 318.377 1.733 20 5 DDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@H](O)[C@@H]2CCOC2)n1 ZINC000580519635 422937815 /nfs/dbraw/zinc/93/78/15/422937815.db2.gz OMWDSLCVYMFTBU-RQJABVFESA-N 1 0 324.381 1.262 20 5 DDBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@H]2C[C@@H](O)C2(C)C)cccc1[N+](=O)[O-] ZINC000580446426 422933731 /nfs/dbraw/zinc/93/37/31/422933731.db2.gz LDMKTLBFGMTLTP-LEWSCRJBSA-N 1 0 321.377 1.979 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000417181339 225234961 /nfs/dbraw/zinc/23/49/61/225234961.db2.gz OAAVTJGMRLIWGC-GXFFZTMASA-N 1 0 322.365 1.401 20 5 DDBDRO C[C@@H]1CN(CCc2ccc([N+](=O)[O-])cc2)[C@@H](C)C[N@@H+]1CCO ZINC000419336575 226123065 /nfs/dbraw/zinc/12/30/65/226123065.db2.gz XHRUDGNGMWGPDC-UONOGXRCSA-N 1 0 307.394 1.524 20 5 DDBDRO Cc1c(CNC(=O)[C@@H]2CCn3ccnc3C2)cccc1[N+](=O)[O-] ZINC000360541972 418459438 /nfs/dbraw/zinc/45/94/38/418459438.db2.gz XLQDWCKOOZMMCV-GFCCVEGCSA-N 1 0 314.345 1.979 20 5 DDBDRO CC1(C)C[N@H+](CCn2cc([N+](=O)[O-])cn2)C[C@]2(CCCOC2)O1 ZINC000373809447 418462543 /nfs/dbraw/zinc/46/25/43/418462543.db2.gz JENQDCOINKARCE-HNNXBMFYSA-N 1 0 324.381 1.451 20 5 DDBDRO C[N@H+](CCCNC(=O)Cn1cc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000193171132 418529121 /nfs/dbraw/zinc/52/91/21/418529121.db2.gz UJWDGDVTOJVKJJ-UHFFFAOYSA-N 1 0 323.397 1.562 20 5 DDBDRO CO[C@@H]1CCC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000360997255 418563003 /nfs/dbraw/zinc/56/30/03/418563003.db2.gz FUHRKIWPZCWMME-LSDHHAIUSA-N 1 0 324.377 1.835 20 5 DDBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)COc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000375057014 418597423 /nfs/dbraw/zinc/59/74/23/418597423.db2.gz DPTNQYBJAPRMEX-WFASDCNBSA-N 1 0 319.361 1.526 20 5 DDBDRO CC[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C[C@H](C)OC ZINC000291348784 222329866 /nfs/dbraw/zinc/32/98/66/222329866.db2.gz XQHMJHLNLMXWPD-GXTWGEPZSA-N 1 0 312.366 1.691 20 5 DDBDRO CCO[C@H]1C[C@@H]([NH2+]Cc2c([N+](=O)[O-])ncn2C)C12CCOCC2 ZINC000367566889 418611429 /nfs/dbraw/zinc/61/14/29/418611429.db2.gz SYVJPBYBMCAYBT-OLZOCXBDSA-N 1 0 324.381 1.392 20 5 DDBDRO COCCC[N@H+](C)CCNc1ncnc2cccc([N+](=O)[O-])c21 ZINC000347414855 418639038 /nfs/dbraw/zinc/63/90/38/418639038.db2.gz MOQQCRRIRQWUAM-UHFFFAOYSA-N 1 0 319.365 1.918 20 5 DDBDRO COc1cc(C[N@@H+]2CC[C@@H](CC(N)=O)C2)c([N+](=O)[O-])cc1F ZINC000367988161 418670424 /nfs/dbraw/zinc/67/04/24/418670424.db2.gz JAJTUWBXYRKKAY-VIFPVBQESA-N 1 0 311.313 1.440 20 5 DDBDRO Cn1c(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000361707616 418699839 /nfs/dbraw/zinc/69/98/39/418699839.db2.gz WMAVSOZLDNEYQR-VXGBXAGGSA-N 1 0 306.366 1.490 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000382470662 418730564 /nfs/dbraw/zinc/73/05/64/418730564.db2.gz PMMPPEFJOVEIPV-QWRGUYRKSA-N 1 0 313.379 1.309 20 5 DDBDRO [NH3+]CC[C@@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(F)F ZINC000383464053 418733074 /nfs/dbraw/zinc/73/30/74/418733074.db2.gz KHYVOVVSUIVYLO-MRVPVSSYSA-N 1 0 307.684 1.961 20 5 DDBDRO Cc1ccc(S(=O)(=O)N[C@H](CC[NH3+])C(F)F)cc1[N+](=O)[O-] ZINC000383336349 418733623 /nfs/dbraw/zinc/73/36/23/418733623.db2.gz WSAHRKUCHFANPR-SECBINFHSA-N 1 0 323.321 1.164 20 5 DDBDRO COc1ccc(CC(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)cc1[N+](=O)[O-] ZINC000571873950 304491806 /nfs/dbraw/zinc/49/18/06/304491806.db2.gz KVPMYNIBLQEXGA-PHIMTYICSA-N 1 0 307.350 1.355 20 5 DDBDRO COc1ccc(CNC(=O)[C@@H]2C[C@@H](C)CC[NH2+]2)cc1[N+](=O)[O-] ZINC000423055130 227329291 /nfs/dbraw/zinc/32/92/91/227329291.db2.gz CSWIQWSTCSROEK-JQWIXIFHSA-N 1 0 307.350 1.608 20 5 DDBDRO [NH3+][C@@H]1CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C[C@H]1c1ccccc1F ZINC000424026014 228221074 /nfs/dbraw/zinc/22/10/74/228221074.db2.gz JSYOQPVFHLDBJS-GXSJLCMTSA-N 1 0 319.296 1.024 20 5 DDBDRO COCC[NH2+]CCNC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000417860704 419359474 /nfs/dbraw/zinc/35/94/74/419359474.db2.gz YVLLNJVSTDWCFC-LBPRGKRZSA-N 1 0 324.381 1.499 20 5 DDBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)NCC[C@H]1CC[NH2+]C1 ZINC000417939087 419400452 /nfs/dbraw/zinc/40/04/52/419400452.db2.gz JYOLSAYYSWJUHM-CYBMUJFWSA-N 1 0 306.366 1.436 20 5 DDBDRO C[NH2+]C[C@@H]1CCCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000417945190 419407559 /nfs/dbraw/zinc/40/75/59/419407559.db2.gz QGNWZJHBTDQTIM-AWEZNQCLSA-N 1 0 320.393 1.778 20 5 DDBDRO CN(C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C[C@H]1CCC[N@@H+]1C ZINC000421000183 419431223 /nfs/dbraw/zinc/43/12/23/419431223.db2.gz KANZSJACSKSMHN-HUUCEWRRSA-N 1 0 323.393 1.361 20 5 DDBDRO Cc1c(CNC(=O)N2CC[NH2+][C@@H](C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000418082584 419521067 /nfs/dbraw/zinc/52/10/67/419521067.db2.gz QQILTMJZPHTKSP-RYUDHWBXSA-N 1 0 306.366 1.795 20 5 DDBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC[C@H]1CCC[NH2+]1 ZINC000418376586 419753581 /nfs/dbraw/zinc/75/35/81/419753581.db2.gz UWMHDHRAZFSNPU-CYBMUJFWSA-N 1 0 306.366 1.531 20 5 DDBDRO C[C@H]1CN(c2ccc([N+](=O)[O-])c3ncccc23)CC[N@@H+]1CCO ZINC000413254913 419775710 /nfs/dbraw/zinc/77/57/10/419775710.db2.gz ZVSUSFHVUSGVAJ-LBPRGKRZSA-N 1 0 316.361 1.646 20 5 DDBDRO CC[NH2+]Cc1ccccc1NC(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000428294863 419843121 /nfs/dbraw/zinc/84/31/21/419843121.db2.gz NUZWKUGWMOQHMF-UHFFFAOYSA-N 1 0 303.322 1.988 20 5 DDBDRO Cc1cc(OCC(=O)NC[C@H](C2CC2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000431711923 229051789 /nfs/dbraw/zinc/05/17/89/229051789.db2.gz MINSZUQNGHRKJO-OAHLLOKOSA-N 1 0 321.377 1.738 20 5 DDBDRO O=[N+]([O-])c1ccccc1-c1ccc(CNC[C@H]2C[NH2+]CCO2)o1 ZINC000415095185 419940219 /nfs/dbraw/zinc/94/02/19/419940219.db2.gz LRVNQKZYXDLGFH-CYBMUJFWSA-N 1 0 317.345 1.933 20 5 DDBDRO COC(=O)c1cc(C(=O)N[C@@](C)(C[NH3+])C2CC2)cc([N+](=O)[O-])c1 ZINC000422822496 419969979 /nfs/dbraw/zinc/96/99/79/419969979.db2.gz AZWVJVPKYHHUDP-HNNXBMFYSA-N 1 0 321.333 1.239 20 5 DDBDRO COc1cc(C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)cc([N+](=O)[O-])c1OC ZINC000429419467 420016939 /nfs/dbraw/zinc/01/69/39/420016939.db2.gz QZHZDEBQCHZHRZ-UWVGGRQHSA-N 1 0 323.349 1.434 20 5 DDBDRO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000429791487 420047474 /nfs/dbraw/zinc/04/74/74/420047474.db2.gz SOXAPRIDZJFWES-RYUDHWBXSA-N 1 0 307.350 1.478 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000415507139 420095380 /nfs/dbraw/zinc/09/53/80/420095380.db2.gz SMUZFLCAJLAZIJ-GHMZBOCLSA-N 1 0 320.349 1.677 20 5 DDBDRO Cc1cc(C(=O)NC[C@@](C)(O)CC[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000420029282 420099292 /nfs/dbraw/zinc/09/92/92/420099292.db2.gz DBELXCZCDCEYFF-HNNXBMFYSA-N 1 0 309.366 1.336 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@](C)(C[NH3+])C1CC1 ZINC000430550791 420133366 /nfs/dbraw/zinc/13/33/66/420133366.db2.gz KXYJWNQQGHXANB-HNNXBMFYSA-N 1 0 306.366 1.559 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCO[C@H](C[NH3+])C1 ZINC000415488777 420087551 /nfs/dbraw/zinc/08/75/51/420087551.db2.gz VXXFSNDSEZBBNF-LLVKDONJSA-N 1 0 308.338 1.403 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000415492381 420089068 /nfs/dbraw/zinc/08/90/68/420089068.db2.gz BTPSLEHTFAPISW-JQWIXIFHSA-N 1 0 320.349 1.819 20 5 DDBDRO COc1ccc(OCCN2CC[C@@H]([NH3+])[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000430942890 420216394 /nfs/dbraw/zinc/21/63/94/420216394.db2.gz FECVLBHKDMLODU-WCQYABFASA-N 1 0 309.366 1.651 20 5 DDBDRO Cc1c(CNC(=O)[C@@]23CCC[C@@H]2C[NH2+]C3)cccc1[N+](=O)[O-] ZINC000423807756 420198032 /nfs/dbraw/zinc/19/80/32/420198032.db2.gz KDIHOVFZYYFCJD-CZUORRHYSA-N 1 0 303.362 1.909 20 5 DDBDRO CC[C@@]1(C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)CCC[NH2+]1 ZINC000423822216 420206679 /nfs/dbraw/zinc/20/66/79/420206679.db2.gz FXEORHOOEBIUQJ-HNNXBMFYSA-N 1 0 304.350 1.407 20 5 DDBDRO CCCC[C@@H]([NH3+])C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000423828417 420213009 /nfs/dbraw/zinc/21/30/09/420213009.db2.gz QAQQOMYGFJJCPO-GFCCVEGCSA-N 1 0 309.370 1.472 20 5 DDBDRO C[NH2+]C[C@H](C)CNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000420185998 420145171 /nfs/dbraw/zinc/14/51/71/420145171.db2.gz CEADNGTUWZWYKS-VIFPVBQESA-N 1 0 301.368 1.266 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@](C)(C[NH3+])C(C)C ZINC000430591415 420148319 /nfs/dbraw/zinc/14/83/19/420148319.db2.gz FKEOXJHXWDRJBT-HNNXBMFYSA-N 1 0 308.382 1.805 20 5 DDBDRO C[NH2+][C@H]1CCN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000430613624 420158951 /nfs/dbraw/zinc/15/89/51/420158951.db2.gz XCJVAXZHQWSCTQ-NSHDSACASA-N 1 0 320.349 1.187 20 5 DDBDRO CCOC(=O)c1cc(NC[C@@H]2C[NH2+]CCN2C)ccc1[N+](=O)[O-] ZINC000420262255 420170908 /nfs/dbraw/zinc/17/09/08/420170908.db2.gz AKWSKNLVFYHWBE-LBPRGKRZSA-N 1 0 322.365 1.087 20 5 DDBDRO Cc1c(NC(=O)[C@H](C)N2CC[C@@H]([NH3+])[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000430953786 420221512 /nfs/dbraw/zinc/22/15/12/420221512.db2.gz ICXLOIUGAONZAX-KGYLQXTDSA-N 1 0 320.393 1.899 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000430954903 420222066 /nfs/dbraw/zinc/22/20/66/420222066.db2.gz YATKDAYAUJMULV-STQMWFEESA-N 1 0 320.393 1.914 20 5 DDBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420369126 420240025 /nfs/dbraw/zinc/24/00/25/420240025.db2.gz BRCSRGHAOQTKER-FRRDWIJNSA-N 1 0 320.393 1.839 20 5 DDBDRO C[NH2+]CCCN(C)[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000420391168 420256529 /nfs/dbraw/zinc/25/65/29/420256529.db2.gz RRAJBVNNVSFOSX-LLVKDONJSA-N 1 0 324.381 1.472 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)NC[C@@H](C2CC2)[NH+](C)C)c1[N+](=O)[O-] ZINC000433998710 420256651 /nfs/dbraw/zinc/25/66/51/420256651.db2.gz IEWRPJKGQLXCKW-JTQLQIEISA-N 1 0 309.370 1.511 20 5 DDBDRO C[NH2+][C@H]1CCN(S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)C1 ZINC000420405720 420266490 /nfs/dbraw/zinc/26/64/90/420266490.db2.gz PJKYHEWPGJTDSI-NSHDSACASA-N 1 0 313.379 1.194 20 5 DDBDRO C[C@H]1CN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)[C@@H](C)C[NH2+]1 ZINC000420406499 420267165 /nfs/dbraw/zinc/26/71/65/420267165.db2.gz UJEHXKMLNPLERA-QWRGUYRKSA-N 1 0 317.349 1.827 20 5 DDBDRO C[C@@H]1[NH2+]CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)[C@H]1C ZINC000436060328 420306143 /nfs/dbraw/zinc/30/61/43/420306143.db2.gz QVRSDLLMGPPMAC-QWRGUYRKSA-N 1 0 317.349 1.827 20 5 DDBDRO NC(=O)[C@@H]1CCCC[C@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444680609 230119076 /nfs/dbraw/zinc/11/90/76/230119076.db2.gz QIJOHFJRHDQHAL-GHMZBOCLSA-N 1 0 317.349 1.605 20 5 DDBDRO C[NH2+][C@@H]1CCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000417716721 420459139 /nfs/dbraw/zinc/45/91/39/420459139.db2.gz LWVXJRCEFYUKMI-CQSZACIVSA-N 1 0 320.393 1.921 20 5 DDBDRO CCC[N@@H+]1CC[C@@H](CNc2cccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000439107430 420480723 /nfs/dbraw/zinc/48/07/23/420480723.db2.gz LVLIBERHULWRML-NSHDSACASA-N 1 0 306.366 1.838 20 5 DDBDRO CC[N@@H+]1CCCC[C@@H]1CNc1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000439162718 420482968 /nfs/dbraw/zinc/48/29/68/420482968.db2.gz ZUOPFRSNRSMDFD-LLVKDONJSA-N 1 0 306.366 1.980 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1CCCC1(C)C ZINC000457077256 420602978 /nfs/dbraw/zinc/60/29/78/420602978.db2.gz OZAPUIUUIBJYBA-UHFFFAOYSA-N 1 0 306.366 1.902 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)NCC[N@@H+]2CCCC2(C)C)n1 ZINC000457064582 420599387 /nfs/dbraw/zinc/59/93/87/420599387.db2.gz XAGZYONSPGBJFU-UHFFFAOYSA-N 1 0 309.370 1.415 20 5 DDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCCC[N@H+]1CCO ZINC000452792474 420663370 /nfs/dbraw/zinc/66/33/70/420663370.db2.gz GFTCIJVEXMWCRO-HNNXBMFYSA-N 1 0 321.377 1.100 20 5 DDBDRO O=C(CC[NH2+][C@H](CO)[C@@H]1CCCO1)Nc1ccc([N+](=O)[O-])cc1 ZINC000447918604 420819174 /nfs/dbraw/zinc/81/91/74/420819174.db2.gz ZTNNTQHZZBYKID-KGLIPLIRSA-N 1 0 323.349 1.053 20 5 DDBDRO COc1ccc(NC(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000455096615 420967910 /nfs/dbraw/zinc/96/79/10/420967910.db2.gz HAGGLEROFMMCTQ-GXFFZTMASA-N 1 0 320.349 1.771 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CO)C1CCOCC1 ZINC000449232683 420974494 /nfs/dbraw/zinc/97/44/94/420974494.db2.gz ITOXGHVTTZUEHD-DOMZBBRYSA-N 1 0 308.378 1.903 20 5 DDBDRO COC(=O)c1cc(NC(=O)[C@H](C)[NH2+]C2CC2)cc([N+](=O)[O-])c1 ZINC000449248831 420974771 /nfs/dbraw/zinc/97/47/71/420974771.db2.gz HXWOOOVOYQJINQ-QMMMGPOBSA-N 1 0 307.306 1.460 20 5 DDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCN(CCCO)C1 ZINC000449395179 421006668 /nfs/dbraw/zinc/00/66/68/421006668.db2.gz IIPXGKGMECUDPS-HOCLYGCPSA-N 1 0 321.421 1.962 20 5 DDBDRO [NH3+]C[C@H]1CC[C@@H](NC(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000449713056 421066723 /nfs/dbraw/zinc/06/67/23/421066723.db2.gz VSDGZTFZGRBINJ-WDEREUQCSA-N 1 0 309.391 1.931 20 5 DDBDRO CCc1n[nH]c(C(=O)N2CC[N@H+](C)[C@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000489382640 421150429 /nfs/dbraw/zinc/15/04/29/421150429.db2.gz BQZFXQODBQHFQK-NSHDSACASA-N 1 0 309.370 1.293 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]Cc1cccnc1 ZINC000560260921 421241309 /nfs/dbraw/zinc/24/13/09/421241309.db2.gz DOJKIWYLADNETM-ZDUSSCGKSA-N 1 0 303.318 1.519 20 5 DDBDRO C[C@H](O)C[NH+]1CCN(c2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC000450455138 421199580 /nfs/dbraw/zinc/19/95/80/421199580.db2.gz UBVPXRKWEGQNIV-LBPRGKRZSA-N 1 0 316.361 1.646 20 5 DDBDRO [NH3+][C@@H]1CCCN(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000562797603 421413709 /nfs/dbraw/zinc/41/37/09/421413709.db2.gz DMNSWNWGPHLCFV-LLVKDONJSA-N 1 0 308.338 1.106 20 5 DDBDRO CC[N@@H+]1CC[C@H]2OCCN(c3cc(C)c([N+](=O)[O-])cn3)[C@H]2C1 ZINC000514720040 421448831 /nfs/dbraw/zinc/44/88/31/421448831.db2.gz ULTPMPXQKSTJSC-UONOGXRCSA-N 1 0 306.366 1.598 20 5 DDBDRO O=C(NCC1=CC[NH2+]CC1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000516634862 421558272 /nfs/dbraw/zinc/55/82/72/421558272.db2.gz MNMRYMOSKLLWLN-UHFFFAOYSA-N 1 0 316.361 1.582 20 5 DDBDRO C[C@@H]1C[C@H](C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@H](C)O1 ZINC000563952488 421559502 /nfs/dbraw/zinc/55/95/02/421559502.db2.gz IWQDVGVYADMGFN-COMQUAJESA-N 1 0 324.377 1.738 20 5 DDBDRO Cc1ccnc(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000516762651 421565718 /nfs/dbraw/zinc/56/57/18/421565718.db2.gz HIXSXWXKFFKJEL-AWEZNQCLSA-N 1 0 317.345 1.828 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000564075701 421567635 /nfs/dbraw/zinc/56/76/35/421567635.db2.gz NQRKZCJRSPJHAX-INIZCTEOSA-N 1 0 319.361 1.819 20 5 DDBDRO CS[C@@H](C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)(C)C ZINC000570509901 421650018 /nfs/dbraw/zinc/65/00/18/421650018.db2.gz LRRXVDZPCQEVMI-NEPJUHHUSA-N 1 0 316.427 1.520 20 5 DDBDRO CC[N@@H+]1CC[C@@H](CNC(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000518650471 421662236 /nfs/dbraw/zinc/66/22/36/421662236.db2.gz JPUXXUQMYFYGAT-ZDUSSCGKSA-N 1 0 321.377 1.604 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cn1 ZINC000538743388 421743030 /nfs/dbraw/zinc/74/30/30/421743030.db2.gz AHMXLJKDFCTQQV-ZIAGYGMSSA-N 1 0 306.366 1.415 20 5 DDBDRO COc1cc(C(=O)NC[C@@H](C)[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000522316566 421824425 /nfs/dbraw/zinc/82/44/25/421824425.db2.gz QNYWXWSGDWRBRC-LLVKDONJSA-N 1 0 307.350 1.818 20 5 DDBDRO C[NH+](C)C[C@H]1CCN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])C1 ZINC000558939298 421827648 /nfs/dbraw/zinc/82/76/48/421827648.db2.gz BNZKENYNNJPNDF-SNVBAGLBSA-N 1 0 317.349 1.632 20 5 DDBDRO C[N@@H+]1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000557334222 421768706 /nfs/dbraw/zinc/76/87/06/421768706.db2.gz DAFPTFBAUJWPAX-CQSZACIVSA-N 1 0 323.393 1.361 20 5 DDBDRO CC[C@@H]1C[N@H+](C)CCN1CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000580889236 421856493 /nfs/dbraw/zinc/85/64/93/421856493.db2.gz XSOLQUHBGXHIEP-CYBMUJFWSA-N 1 0 320.393 1.868 20 5 DDBDRO Cc1cc(NC(=O)CC[NH2+]CCc2ccc([N+](=O)[O-])cc2)no1 ZINC000581266712 421938078 /nfs/dbraw/zinc/93/80/78/421938078.db2.gz ISDNFUXBTOCLKM-UHFFFAOYSA-N 1 0 318.333 2.052 20 5 DDBDRO C[C@@H]([NH3+])[C@H](C)C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000582178821 422124551 /nfs/dbraw/zinc/12/45/51/422124551.db2.gz VJPXAPYZNKUBSE-DTWKUNHWSA-N 1 0 303.322 1.907 20 5 DDBDRO CC(C)([NH3+])CC(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000592070793 422329612 /nfs/dbraw/zinc/32/96/12/422329612.db2.gz XEDPYDXKFKXBGZ-UHFFFAOYSA-N 1 0 303.322 2.051 20 5 DDBDRO Cc1ccnc([C@@H]2CC[N@H+](CCn3ccc([N+](=O)[O-])n3)C2)c1 ZINC000575813473 422330705 /nfs/dbraw/zinc/33/07/05/422330705.db2.gz XPXNYBUXGBAPRK-CYBMUJFWSA-N 1 0 301.350 1.984 20 5 DDBDRO CNc1nccc(C(=O)N(C)CC[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000594373429 422348101 /nfs/dbraw/zinc/34/81/01/422348101.db2.gz TVOCDAWNRRAZFZ-UHFFFAOYSA-N 1 0 321.381 1.589 20 5 DDBDRO Cc1c(C[NH3+])c(NC(=O)c2ccc([N+](=O)[O-])cc2C)nn1C ZINC000595963021 422359541 /nfs/dbraw/zinc/35/95/41/422359541.db2.gz XVJNHSNIJMSHHU-UHFFFAOYSA-N 1 0 303.322 1.656 20 5 DDBDRO CS(=O)(=O)N1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000035251565 263254396 /nfs/dbraw/zinc/25/43/96/263254396.db2.gz NSYYTQBSNAQAGE-UHFFFAOYSA-N 1 0 313.379 1.108 20 5 DDBDRO CC[NH+](CC)C[C@@H](C)NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000341712102 271182102 /nfs/dbraw/zinc/18/21/02/271182102.db2.gz ZPKFHEDJFANHJI-GFCCVEGCSA-N 1 0 309.366 1.820 20 5 DDBDRO COC(=O)c1cc(C)nc(N2CC[N@H+](C)CC[C@@H]2C)c1[N+](=O)[O-] ZINC000342144137 271318317 /nfs/dbraw/zinc/31/83/17/271318317.db2.gz XDTNIHXUVWSWKU-NSHDSACASA-N 1 0 322.365 1.615 20 5 DDBDRO COC[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccc(F)cc1 ZINC000342319106 271374692 /nfs/dbraw/zinc/37/46/92/271374692.db2.gz BMDLJDCCWRPLTN-ZDUSSCGKSA-N 1 0 308.313 1.908 20 5 DDBDRO Cn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)n1 ZINC000345300448 272213211 /nfs/dbraw/zinc/21/32/11/272213211.db2.gz KAGSXLZTEIJZJU-LBPRGKRZSA-N 1 0 321.381 1.323 20 5 DDBDRO CCCc1n[nH]c(C(=O)NC[C@@H]2CCC[N@H+](CC)C2)c1[N+](=O)[O-] ZINC000345573943 272281871 /nfs/dbraw/zinc/28/18/71/272281871.db2.gz VNXGISYBOGFQRD-NSHDSACASA-N 1 0 323.397 1.732 20 5 DDBDRO C[NH2+]C[C@H]1CCCN1C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000414661849 273967585 /nfs/dbraw/zinc/96/75/85/273967585.db2.gz YFPTUDPAOAZXAG-LLVKDONJSA-N 1 0 308.338 1.819 20 5 DDBDRO COCC[NH+]1CCN(c2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC000450233765 274032042 /nfs/dbraw/zinc/03/20/42/274032042.db2.gz OTICUBQPSYDWMQ-UHFFFAOYSA-N 1 0 316.361 1.911 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)c1 ZINC000266326251 274118357 /nfs/dbraw/zinc/11/83/57/274118357.db2.gz GGUIRBWWCXXQEK-NWDGAFQWSA-N 1 0 309.366 1.495 20 5 DDBDRO O=[N+]([O-])c1ccc2nc(N3CCC[N@@H+](CCO)CC3)ccc2c1 ZINC000171506908 275038852 /nfs/dbraw/zinc/03/88/52/275038852.db2.gz VITJFANNHOVGGM-UHFFFAOYSA-N 1 0 316.361 1.647 20 5 DDBDRO CN(CC(=O)N[C@@H]1CCCC[C@H]1C[NH3+])c1ccccc1[N+](=O)[O-] ZINC000262621584 276918790 /nfs/dbraw/zinc/91/87/90/276918790.db2.gz JXMMHEMKBDXTIO-QWHCGFSZSA-N 1 0 320.393 1.665 20 5 DDBDRO CNC(=O)c1ccc(N2CCC([NH2+]C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000269270485 277016952 /nfs/dbraw/zinc/01/69/52/277016952.db2.gz GFEBJFDYXLIQQT-UHFFFAOYSA-N 1 0 318.377 1.675 20 5 DDBDRO COCCOC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000294741748 277535563 /nfs/dbraw/zinc/53/55/63/277535563.db2.gz HHXWTZNUGNFYJF-UHFFFAOYSA-N 1 0 324.377 1.897 20 5 DDBDRO C[C@@H](CC[NH3+])NC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000418521151 278229885 /nfs/dbraw/zinc/22/98/85/278229885.db2.gz IAANGWYTXQFTIP-LBPRGKRZSA-N 1 0 321.381 1.164 20 5 DDBDRO CCC(CC)(C[NH3+])NS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000109706050 278586326 /nfs/dbraw/zinc/58/63/26/278586326.db2.gz IYENUDPRETUUNU-UHFFFAOYSA-N 1 0 315.395 1.699 20 5 DDBDRO CCN(C)C(=O)C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000331351479 279020433 /nfs/dbraw/zinc/02/04/33/279020433.db2.gz WLYDIKJFUNJQGN-NWDGAFQWSA-N 1 0 309.370 1.343 20 5 DDBDRO C[C@H](CC[NH3+])NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000418083715 279260808 /nfs/dbraw/zinc/26/08/08/279260808.db2.gz MQDLAZPYHVLHNO-MRVPVSSYSA-N 1 0 306.326 1.008 20 5 DDBDRO C[C@]1(C[NH3+])CCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000261842094 280154490 /nfs/dbraw/zinc/15/44/90/280154490.db2.gz QSKUEUZKLMOVHC-GDBMZVCRSA-N 1 0 318.377 1.371 20 5 DDBDRO Cc1cc(N2CC[C@@H](NC(N)=O)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000272784614 280568958 /nfs/dbraw/zinc/56/89/58/280568958.db2.gz BCAVBHMKVIWLRE-SNVBAGLBSA-N 1 0 315.333 1.698 20 5 DDBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2c([N+](=O)[O-])cnn2C)C1 ZINC000126299593 281233518 /nfs/dbraw/zinc/23/35/18/281233518.db2.gz UJUFOSXWIRICRB-LLVKDONJSA-N 1 0 309.370 1.036 20 5 DDBDRO CC[NH+]1CCN(CCC(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000130568997 281385396 /nfs/dbraw/zinc/38/53/96/281385396.db2.gz KQQSCFUINZTDHU-UHFFFAOYSA-N 1 0 320.393 1.239 20 5 DDBDRO CN(C(=O)CCNc1ccccc1[N+](=O)[O-])C1(C[NH3+])CCC1 ZINC000449677498 281720604 /nfs/dbraw/zinc/72/06/04/281720604.db2.gz MSXUXDWZJXAFLA-UHFFFAOYSA-N 1 0 306.366 1.737 20 5 DDBDRO C[C@H]1Cc2ccccc2C[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000247347520 282047639 /nfs/dbraw/zinc/04/76/39/282047639.db2.gz GLQMLHMIUYTUQV-BLLLJJGKSA-N 1 0 316.361 1.599 20 5 DDBDRO C[N@@H+]1CC[C@H]2OCCN(c3ncc(Cl)cc3[N+](=O)[O-])[C@H]2C1 ZINC000284576034 290237921 /nfs/dbraw/zinc/23/79/21/290237921.db2.gz OUVMIJWTABCKFZ-NWDGAFQWSA-N 1 0 312.757 1.553 20 5 DDBDRO [NH3+]C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)CC12CCOCC2 ZINC000572761158 304553330 /nfs/dbraw/zinc/55/33/30/304553330.db2.gz ZVUOWTLYYFLMLJ-CYBMUJFWSA-N 1 0 319.361 1.422 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H](C)[C@H]1CCOC1 ZINC000162737683 298201864 /nfs/dbraw/zinc/20/18/64/298201864.db2.gz FWQJGMNMVNNYPT-RYUDHWBXSA-N 1 0 307.350 1.856 20 5 DDBDRO C[N@@H+]1CC[C@](O)(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000358038652 299053946 /nfs/dbraw/zinc/05/39/46/299053946.db2.gz BONMIRGURBLDBF-HNNXBMFYSA-N 1 0 319.317 1.137 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cccc([N+](=O)[O-])c3N)C[C@H]21 ZINC000362290460 300045159 /nfs/dbraw/zinc/04/51/59/300045159.db2.gz RVCCBSIBDURWLK-ZWNOBZJWSA-N 1 0 304.350 1.343 20 5 DDBDRO Cc1cc(C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc([N+](=O)[O-])c1 ZINC000363125569 300215770 /nfs/dbraw/zinc/21/57/70/300215770.db2.gz RFBOOHWYROVARE-ZFWWWQNUSA-N 1 0 319.361 1.496 20 5 DDBDRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccccc1[N+](=O)[O-] ZINC000363198072 300229631 /nfs/dbraw/zinc/22/96/31/300229631.db2.gz YZGJWVLRKDKTSD-NWDGAFQWSA-N 1 0 305.334 1.188 20 5 DDBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3N)C[C@H]21 ZINC000364307975 300373167 /nfs/dbraw/zinc/37/31/67/300373167.db2.gz NTTLXUNWYNSWHL-IINYFYTJSA-N 1 0 304.350 1.343 20 5 DDBDRO O=C(NCCNc1ccccc1[N+](=O)[O-])[C@H]1CCCCC[NH2+]1 ZINC000364461192 300400542 /nfs/dbraw/zinc/40/05/42/300400542.db2.gz ACHPPVIWTBMGDC-CYBMUJFWSA-N 1 0 306.366 1.655 20 5 DDBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000288590583 300421448 /nfs/dbraw/zinc/42/14/48/300421448.db2.gz YBGGPJKZVBMZRW-NWDGAFQWSA-N 1 0 318.377 1.876 20 5 DDBDRO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000366197112 300658607 /nfs/dbraw/zinc/65/86/07/300658607.db2.gz ANDOFKNPZGEIRV-ZDUSSCGKSA-N 1 0 319.361 1.578 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1CN1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000368217985 300979593 /nfs/dbraw/zinc/97/95/93/300979593.db2.gz CERWSIJGVAFDTG-DLBZAZTESA-N 1 0 319.405 1.934 20 5 DDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H]1CCCC[NH2+]C1 ZINC000070120651 301014503 /nfs/dbraw/zinc/01/45/03/301014503.db2.gz NMUSNGOXJQXTHF-NSHDSACASA-N 1 0 313.379 1.324 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000370376358 301326690 /nfs/dbraw/zinc/32/66/90/301326690.db2.gz ZJUWMOTYYHEUEM-OAHLLOKOSA-N 1 0 318.377 1.893 20 5 DDBDRO COc1cc(C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)ccc1[N+](=O)[O-] ZINC000372913001 301631617 /nfs/dbraw/zinc/63/16/17/301631617.db2.gz ZSCAJTGOTZSQEH-PWSUYJOCSA-N 1 0 305.334 1.427 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC(C[NH3+])CC1 ZINC000036296661 302042763 /nfs/dbraw/zinc/04/27/63/302042763.db2.gz MQEORHFWOZZSIB-UHFFFAOYSA-N 1 0 313.379 1.263 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000377566938 302193760 /nfs/dbraw/zinc/19/37/60/302193760.db2.gz WLEWZOORBOCOBA-INIZCTEOSA-N 1 0 319.361 1.819 20 5 DDBDRO O=[N+]([O-])c1ccn(CCN2CCC[C@H]([NH+]3CCCCC3)C2)n1 ZINC000377946115 302253670 /nfs/dbraw/zinc/25/36/70/302253670.db2.gz BJGSTLWOBTVUTK-AWEZNQCLSA-N 1 0 307.398 1.742 20 5 DDBDRO C[C@@H]1C[C@H](C)N(CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000397308536 302353242 /nfs/dbraw/zinc/35/32/42/302353242.db2.gz IBJROYVSOFDTPI-FRRDWIJNSA-N 1 0 320.393 1.839 20 5 DDBDRO CCc1ccccc1[C@H]([NH3+])CNC(=O)c1cc([N+](=O)[O-])cn1C ZINC000517356948 302811528 /nfs/dbraw/zinc/81/15/28/302811528.db2.gz UUUGYRIEWNMDGC-CQSZACIVSA-N 1 0 316.361 1.926 20 5 DDBDRO CNc1ccc(C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000532078036 303275003 /nfs/dbraw/zinc/27/50/03/303275003.db2.gz IJQDDULYVBYBNF-IINYFYTJSA-N 1 0 318.377 1.849 20 5 DDBDRO CC[NH+](CC)CC[C@H](CO)NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000537718839 303378501 /nfs/dbraw/zinc/37/85/01/303378501.db2.gz OSDPKESFWUGPNI-GFCCVEGCSA-N 1 0 324.381 1.121 20 5 DDBDRO C[NH+](C)[C@H]1CCCN(c2nccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000357699397 306907645 /nfs/dbraw/zinc/90/76/45/306907645.db2.gz CVHUYXCSENYMQT-JTQLQIEISA-N 1 0 307.354 1.009 20 5 DDBDRO C[C@@H](Cc1ccccc1F)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000559683092 303793686 /nfs/dbraw/zinc/79/36/86/303793686.db2.gz KWNGLCHEJVEOEH-FZMZJTMJSA-N 1 0 322.340 1.512 20 5 DDBDRO C[C@H]([NH3+])C[C@H](C)NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000563127286 303923981 /nfs/dbraw/zinc/92/39/81/303923981.db2.gz YVQUODGCNYXPHR-QWRGUYRKSA-N 1 0 315.395 1.183 20 5 DDBDRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])CC1 ZINC000364755330 307050461 /nfs/dbraw/zinc/05/04/61/307050461.db2.gz PSKYWIGMEZPYDL-WQVCFCJDSA-N 1 0 317.389 1.993 20 5 DDBDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1c1ncc([N+](=O)[O-])cn1 ZINC000364802578 307051674 /nfs/dbraw/zinc/05/16/74/307051674.db2.gz FVNKGXLQSHWPBB-NSHDSACASA-N 1 0 307.354 1.074 20 5 DDBDRO COC(=O)[C@@H]1C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000366655081 307078658 /nfs/dbraw/zinc/07/86/58/307078658.db2.gz PPHGCWNJCJYTCS-KBPBESRZSA-N 1 0 322.361 1.759 20 5 DDBDRO O=C1CC[C@@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)[C@H](C2CC2)N1 ZINC000367446258 307093662 /nfs/dbraw/zinc/09/36/62/307093662.db2.gz CPJNQAKSANIGRU-ZBFHGGJFSA-N 1 0 319.361 1.620 20 5 DDBDRO CCCc1n[nH]c(C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1[N+](=O)[O-] ZINC000368615219 307106491 /nfs/dbraw/zinc/10/64/91/307106491.db2.gz UBACVBSOXWMGML-HBNTYKKESA-N 1 0 321.381 1.470 20 5 DDBDRO Nc1c(C(=O)N2CCCC3(CC[NH2+]CC3)C2)cccc1[N+](=O)[O-] ZINC000368815832 307110310 /nfs/dbraw/zinc/11/03/10/307110310.db2.gz HMPADBOIYJXPOR-UHFFFAOYSA-N 1 0 318.377 1.783 20 5 DDBDRO O=C1OCCN1C[C@@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000496780943 307360877 /nfs/dbraw/zinc/36/08/77/307360877.db2.gz IQYMWXYBLBBDID-CQSZACIVSA-N 1 0 319.361 1.911 20 5 DDBDRO CNc1ccc(C(=O)N[C@H](CC[NH3+])C(F)F)cc1[N+](=O)[O-] ZINC000515648334 307407756 /nfs/dbraw/zinc/40/77/56/307407756.db2.gz RBLZCMGFBFNYOY-SECBINFHSA-N 1 0 302.281 1.349 20 5 DDBDRO COc1cc(C(=O)N2CC[C@@H]([NH3+])C[C@H]2C)cc([N+](=O)[O-])c1C ZINC000556705681 307852131 /nfs/dbraw/zinc/85/21/31/307852131.db2.gz IUVUHAYVVYPBSF-BXKDBHETSA-N 1 0 307.350 1.864 20 5 DDBDRO C[C@@H]1C[C@@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000562991954 307951959 /nfs/dbraw/zinc/95/19/59/307951959.db2.gz UAQHRRLWUBJNSR-CRWXNKLISA-N 1 0 324.377 1.880 20 5 DDBDRO C[C@@H]1CC([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000562991953 307951961 /nfs/dbraw/zinc/95/19/61/307951961.db2.gz UAQHRRLWUBJNSR-BZPMIXESSA-N 1 0 324.377 1.880 20 5 DDBDRO [NH3+]C[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 ZINC000563809604 307983042 /nfs/dbraw/zinc/98/30/42/307983042.db2.gz JQIALCOURBTWLL-SNVBAGLBSA-N 1 0 321.333 1.177 20 5 DDBDRO COc1ccc(CC(=O)N2CCC(CC[NH3+])CC2)cc1[N+](=O)[O-] ZINC000566569001 308057276 /nfs/dbraw/zinc/05/72/76/308057276.db2.gz ZDYLKKLIANOVSH-UHFFFAOYSA-N 1 0 321.377 1.733 20 5 DDBDRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000567667247 308088644 /nfs/dbraw/zinc/08/86/44/308088644.db2.gz UAMJKPXVHMBPAU-WCBMZHEXSA-N 1 0 307.306 1.051 20 5 DDBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000573203365 308233709 /nfs/dbraw/zinc/23/37/09/308233709.db2.gz BZOKRYKFOZSCCM-ZFWWWQNUSA-N 1 0 305.334 1.089 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@H]2CCc3ccccc32)c1 ZINC000576220012 308297844 /nfs/dbraw/zinc/29/78/44/308297844.db2.gz AFQGDVLSECLHPE-UKRRQHHQSA-N 1 0 316.361 1.472 20 5 DDBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCCN1CCOCC1 ZINC000582735930 337127959 /nfs/dbraw/zinc/12/79/59/337127959.db2.gz PVTBEXWGXYNTIO-HNNXBMFYSA-N 1 0 305.378 1.894 20 5 DDBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000584579702 337367770 /nfs/dbraw/zinc/36/77/70/337367770.db2.gz DNVOAZJBGAQQEH-GXTWGEPZSA-N 1 0 304.350 1.488 20 5 DDBDRO C[C@@H]1CC[NH2+][C@H](C(=O)NCCNc2ccccc2[N+](=O)[O-])C1 ZINC000422938770 534107412 /nfs/dbraw/zinc/10/74/12/534107412.db2.gz PYQDCQZTLZMJCR-YPMHNXCESA-N 1 0 306.366 1.511 20 5 DDBDRO COc1ccc(NC(=O)N[C@H]2CC[NH2+][C@@H](C)C2)cc1[N+](=O)[O-] ZINC000415452427 534138990 /nfs/dbraw/zinc/13/89/90/534138990.db2.gz YHFHQBXFRWJQRQ-ONGXEEELSA-N 1 0 308.338 1.865 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@@H](C)[C@H]([NH+](C)C)C1 ZINC000330637732 534340196 /nfs/dbraw/zinc/34/01/96/534340196.db2.gz CLBSXVQOFNXLGQ-IUODEOHRSA-N 1 0 320.393 1.724 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000332222873 534340993 /nfs/dbraw/zinc/34/09/93/534340993.db2.gz MFJAQAYMMKBIQS-VXGBXAGGSA-N 1 0 304.350 1.976 20 5 DDBDRO C[C@@H]1CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](C)C[N@@H+]1C ZINC000331338431 534460274 /nfs/dbraw/zinc/46/02/74/534460274.db2.gz JMEIXTJWSHQKBG-OLZOCXBDSA-N 1 0 320.393 1.948 20 5 DDBDRO CC(C)(C)[NH2+]CCNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000302156093 526332363 /nfs/dbraw/zinc/33/23/63/526332363.db2.gz ITEXKEJQPQBPMG-UHFFFAOYSA-N 1 0 321.424 1.860 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)N(C)[C@H]2C[NH+]3CCC2CC3)c1[N+](=O)[O-] ZINC000433757216 527998769 /nfs/dbraw/zinc/99/87/69/527998769.db2.gz IRFIDUWCZQBPRU-NSHDSACASA-N 1 0 321.381 1.608 20 5 DDBDRO CC[NH+](CC)[C@@H](C)CNC(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000299652054 528227435 /nfs/dbraw/zinc/22/74/35/528227435.db2.gz SSIRJOADHQBCFL-NSHDSACASA-N 1 0 311.386 1.336 20 5 DDBDRO CCOc1cc(N2CC[N@H+](CCO)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000302485922 528311381 /nfs/dbraw/zinc/31/13/81/528311381.db2.gz YKKMEMRJKHOSHX-LBPRGKRZSA-N 1 0 309.366 1.496 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000422832011 528691658 /nfs/dbraw/zinc/69/16/58/528691658.db2.gz XHBPNBUILYIJAG-QWRGUYRKSA-N 1 0 307.350 1.816 20 5 DDBDRO C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CC[N@@H+]1C ZINC000820664759 599589574 /nfs/dbraw/zinc/58/95/74/599589574.db2.gz BQDHMOSQSCXTNL-ZJUUUORDSA-N 1 0 317.353 1.670 20 5 DDBDRO C[NH+](C)C[C@@H]1CCCN1c1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000821582876 606857935 /nfs/dbraw/zinc/85/79/35/606857935.db2.gz AQYIUKWCGCOFFK-NSHDSACASA-N 1 0 317.353 1.305 20 5 DDBDRO C[NH2+]CCCNS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C ZINC000122989891 696727486 /nfs/dbraw/zinc/72/74/86/696727486.db2.gz ZBVKNSRTOAZOKV-UHFFFAOYSA-N 1 0 321.786 1.444 20 5 DDBDRO CNC(=O)[C@@]1(C)CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000797525087 700013160 /nfs/dbraw/zinc/01/31/60/700013160.db2.gz AKODOWSXMQAENN-ZFWWWQNUSA-N 1 0 307.350 1.086 20 5 DDBDRO C[NH+]1CCC2(CCN2C(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000747978207 700094447 /nfs/dbraw/zinc/09/44/47/700094447.db2.gz GLFZNZDMPFWYPS-UHFFFAOYSA-N 1 0 319.361 1.670 20 5 DDBDRO [NH3+][C@H](CC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)C1CC1 ZINC000123927551 696736588 /nfs/dbraw/zinc/73/65/88/696736588.db2.gz YESTYICYNHNZGI-OAHLLOKOSA-N 1 0 318.377 1.371 20 5 DDBDRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)C(F)F ZINC000982958969 697195565 /nfs/dbraw/zinc/19/55/65/697195565.db2.gz SOTLVDWXWJJIMK-XYPYZODXSA-N 1 0 313.304 1.844 20 5 DDBDRO O=C(C[C@@H]1CC[NH2+]C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000174017753 697383170 /nfs/dbraw/zinc/38/31/70/697383170.db2.gz AELOYUHHUDXEJC-ZDUSSCGKSA-N 1 0 318.377 1.243 20 5 DDBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](CO)C1CC1 ZINC000772986143 697701025 /nfs/dbraw/zinc/70/10/25/697701025.db2.gz AISFMWYJJZAJBT-HZMBPMFUSA-N 1 0 307.350 1.672 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H](CO)C3CC3)CC2)cc1 ZINC000772987949 697701757 /nfs/dbraw/zinc/70/17/57/697701757.db2.gz MYEBQOSMEKELCO-MRXNPFEDSA-N 1 0 305.378 1.924 20 5 DDBDRO CCN(CC)C(=O)C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000774142003 697847868 /nfs/dbraw/zinc/84/78/68/697847868.db2.gz WXPDNWQBLLPKEJ-STQMWFEESA-N 1 0 323.397 1.733 20 5 DDBDRO CC[C@@H](CO)[NH+]1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776589159 698123175 /nfs/dbraw/zinc/12/31/75/698123175.db2.gz PQXRKPRRYPZSIK-GOEBONIOSA-N 1 0 323.393 1.017 20 5 DDBDRO C[N@H+](CCc1cnccn1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776599212 698125574 /nfs/dbraw/zinc/12/55/74/698125574.db2.gz XDFSXOWFLUABFD-OAHLLOKOSA-N 1 0 302.334 1.593 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH+]2CCC(O)(C(F)F)CC2)cc1 ZINC000778309368 698260008 /nfs/dbraw/zinc/26/00/08/698260008.db2.gz UOICSLGXMDQLCS-LBPRGKRZSA-N 1 0 316.304 1.720 20 5 DDBDRO CC(C)N1CCO[C@@H](C(=[NH2+])NOCc2ccccc2[N+](=O)[O-])C1 ZINC000779654735 698449980 /nfs/dbraw/zinc/44/99/80/698449980.db2.gz QQQWUCJVDZYUNG-CQSZACIVSA-N 1 0 322.365 1.702 20 5 DDBDRO Cn1ccnc1[C@H](N[C@@H]1CC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000780765201 698558443 /nfs/dbraw/zinc/55/84/43/698558443.db2.gz WYDDVCKNDXLRGL-UKRRQHHQSA-N 1 0 315.377 1.711 20 5 DDBDRO CC[N@H+](CCNS(=O)(=O)c1csc([N+](=O)[O-])c1)C(C)C ZINC000780857627 698563642 /nfs/dbraw/zinc/56/36/42/698563642.db2.gz ZNLAVVICESVPQJ-UHFFFAOYSA-N 1 0 321.424 1.665 20 5 DDBDRO COc1cccc(C(=O)N2CC[C@]3(CCC[NH2+]3)C2)c1[N+](=O)[O-] ZINC000424026603 699147838 /nfs/dbraw/zinc/14/78/38/699147838.db2.gz KWIDMDXNVZTLHV-OAHLLOKOSA-N 1 0 305.334 1.572 20 5 DDBDRO O=[N+]([O-])c1c(N2CC[C@H]([NH+]3CCCC3)C2)nc2ccccn21 ZINC000727112915 699401502 /nfs/dbraw/zinc/40/15/02/699401502.db2.gz BPWLVCJHMCNYQO-LBPRGKRZSA-N 1 0 301.350 1.917 20 5 DDBDRO COCC[N@@H+]1CC[C@@H](Nc2nc3ccccn3c2[N+](=O)[O-])C1 ZINC000730806821 699516213 /nfs/dbraw/zinc/51/62/13/699516213.db2.gz MNKGRPPDMQMJOS-LLVKDONJSA-N 1 0 305.338 1.375 20 5 DDBDRO CN(c1nc2ccccn2c1[N+](=O)[O-])[C@H]1CC[N@@H+](C2CC2)C1 ZINC000733192176 699582827 /nfs/dbraw/zinc/58/28/27/699582827.db2.gz XFZXCUCSDDSDLF-LBPRGKRZSA-N 1 0 301.350 1.915 20 5 DDBDRO CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)CC(=O)NC ZINC000735870759 699707952 /nfs/dbraw/zinc/70/79/52/699707952.db2.gz YRTKZUWAYVBSLR-UHFFFAOYSA-N 1 0 322.365 1.300 20 5 DDBDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000794576988 699817553 /nfs/dbraw/zinc/81/75/53/699817553.db2.gz NEBYANBYLKXIPW-RDBSUJKOSA-N 1 0 307.350 1.133 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000742058396 699858964 /nfs/dbraw/zinc/85/89/64/699858964.db2.gz BDMDYHXZBOONGU-OLZOCXBDSA-N 1 0 319.361 1.496 20 5 DDBDRO COCCn1cc(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000742370089 699875970 /nfs/dbraw/zinc/87/59/70/699875970.db2.gz QVPRMSKUHQTVBP-HNNXBMFYSA-N 1 0 320.349 1.261 20 5 DDBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CC[C@H]2C[C@H]21 ZINC000761095491 700843264 /nfs/dbraw/zinc/84/32/64/700843264.db2.gz QPCZIXIBTXVFHD-CMPLNLGQSA-N 1 0 303.318 1.987 20 5 DDBDRO O=[N+]([O-])c1ccc(-c2nnc(C[NH2+][C@@H](CCO)C3CC3)o2)cc1 ZINC000763062322 700923330 /nfs/dbraw/zinc/92/33/30/700923330.db2.gz DHWBCMXOEMICFF-ZDUSSCGKSA-N 1 0 318.333 1.895 20 5 DDBDRO COc1ccc(NC(=O)CC[NH2+][C@@H](CO)C2CC2)c([N+](=O)[O-])c1 ZINC000763084125 700924880 /nfs/dbraw/zinc/92/48/80/700924880.db2.gz MVCIEAHKEHJSCU-ZDUSSCGKSA-N 1 0 323.349 1.293 20 5 DDBDRO CCNC(=O)[C@@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000764621173 700979096 /nfs/dbraw/zinc/97/90/96/700979096.db2.gz WVKKQPXEFHRXIE-GFCCVEGCSA-N 1 0 320.393 1.678 20 5 DDBDRO COC[C@@H](CCO)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000766107040 701037957 /nfs/dbraw/zinc/03/79/57/701037957.db2.gz HFMVPHWYCVHRSJ-CQSZACIVSA-N 1 0 323.393 1.551 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)N2CCC23CC[NH+](C)CC3)c1[N+](=O)[O-] ZINC000771585968 701324695 /nfs/dbraw/zinc/32/46/95/701324695.db2.gz QQEXYKSDWPMVFS-UHFFFAOYSA-N 1 0 321.381 1.752 20 5 DDBDRO CC[NH+](CC)CCS(=O)(=O)Oc1ccc([N+](=O)[O-])cc1F ZINC000810042282 701715812 /nfs/dbraw/zinc/71/58/12/701715812.db2.gz ZNKFADMQMWOULB-UHFFFAOYSA-N 1 0 320.342 1.784 20 5 DDBDRO COC(=O)CC(C)(C)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000839523211 701723612 /nfs/dbraw/zinc/72/36/12/701723612.db2.gz HTLQZRTYEVVVOM-UHFFFAOYSA-N 1 0 323.349 1.855 20 5 DDBDRO C[C@@H]1C[C@@H](O)CN1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839533244 701726946 /nfs/dbraw/zinc/72/69/46/701726946.db2.gz QOKSYPRJRSERCJ-PSASIEDQSA-N 1 0 313.741 1.642 20 5 DDBDRO C[C@@H]1C[C@H](O)CN1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839533245 701727021 /nfs/dbraw/zinc/72/70/21/701727021.db2.gz QOKSYPRJRSERCJ-SCZZXKLOSA-N 1 0 313.741 1.642 20 5 DDBDRO COC(=O)[C@@]1(C)CCC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000839668354 701773879 /nfs/dbraw/zinc/77/38/79/701773879.db2.gz ZRGXFQMRYHLJCZ-ZBFHGGJFSA-N 1 0 322.361 1.903 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)O[C@H]2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000810841889 701859847 /nfs/dbraw/zinc/85/98/47/701859847.db2.gz RCVGLIZQNKHORD-MNOVXSKESA-N 1 0 308.338 1.595 20 5 DDBDRO C[N@@H+]1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CCC1(C)C ZINC000866114275 706622164 /nfs/dbraw/zinc/62/21/64/706622164.db2.gz KIJKAZVPTXYQIG-UHFFFAOYSA-N 1 0 306.366 1.614 20 5 DDBDRO C[C@@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)C1CC[NH2+]CC1 ZINC000868001410 701884897 /nfs/dbraw/zinc/88/48/97/701884897.db2.gz BGMNUQDSMGVZJL-LLVKDONJSA-N 1 0 307.350 1.478 20 5 DDBDRO O=C1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)CCCCCCN1 ZINC000879254395 706630072 /nfs/dbraw/zinc/63/00/72/706630072.db2.gz YZRXKWUZRPFYIM-UHFFFAOYSA-N 1 0 309.370 1.174 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)CCc3cccc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC000812332782 702157440 /nfs/dbraw/zinc/15/74/40/702157440.db2.gz VWKCOQDWJIESLI-CABCVRRESA-N 1 0 317.389 1.938 20 5 DDBDRO C[N@@H+]1C[C@H]2CCN(C(=O)COc3ccc([N+](=O)[O-])c(F)c3)[C@@H]2C1 ZINC000816950099 702234413 /nfs/dbraw/zinc/23/44/13/702234413.db2.gz LVEWAWGJOSJTTG-QMTHXVAHSA-N 1 0 323.324 1.275 20 5 DDBDRO CN(CC[NH+]1CC2(C1)CCOCC2)c1ncc([N+](=O)[O-])cc1F ZINC000866258525 706659732 /nfs/dbraw/zinc/65/97/32/706659732.db2.gz USVLCTZZVYGQKK-UHFFFAOYSA-N 1 0 324.356 1.678 20 5 DDBDRO CN(C[C@@H]1CCC[N@@H+]1C)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000817377188 702363922 /nfs/dbraw/zinc/36/39/22/702363922.db2.gz IXJUWDHISPJXKR-AWEZNQCLSA-N 1 0 303.366 1.928 20 5 DDBDRO CO[C@](C)(CO)C[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866384619 706686635 /nfs/dbraw/zinc/68/66/35/706686635.db2.gz NECXOEOISHBPOZ-YGRLFVJLSA-N 1 0 300.330 1.652 20 5 DDBDRO O=[N+]([O-])c1ccc2[nH]nc(-c3nc([C@H]4CCC[NH2+]C4)no3)c2c1 ZINC000842665156 702753119 /nfs/dbraw/zinc/75/31/19/702753119.db2.gz KSQMQFRANSCUHO-QMMMGPOBSA-N 1 0 314.305 1.988 20 5 DDBDRO CC[C@H]([NH3+])CNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000842882301 702786589 /nfs/dbraw/zinc/78/65/89/702786589.db2.gz GDYQKJRHGNJGSZ-QMMMGPOBSA-N 1 0 307.759 1.264 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@H](CO)c2cccnc2)cc1 ZINC000843084210 702815902 /nfs/dbraw/zinc/81/59/02/702815902.db2.gz WEBYEZSARPOBQA-GDBMZVCRSA-N 1 0 317.345 1.389 20 5 DDBDRO Nc1ccc(-c2noc(C3(C[NH3+])CCCC3)n2)cc1[N+](=O)[O-] ZINC000843169705 702832164 /nfs/dbraw/zinc/83/21/64/702832164.db2.gz LHZBZIPUJJYVEV-UHFFFAOYSA-N 1 0 303.322 1.998 20 5 DDBDRO Cc1nc([N+](=O)[O-])c(-c2noc(CC3CC[NH2+]CC3)n2)n1C ZINC000843221069 702844748 /nfs/dbraw/zinc/84/47/48/702844748.db2.gz CEQKPDSZTYQSEZ-UHFFFAOYSA-N 1 0 306.326 1.229 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(Cc2noc([C@]3(C)CC[NH2+]C3)n2)c1 ZINC000843222220 702845014 /nfs/dbraw/zinc/84/50/14/702845014.db2.gz DXMPGHDJTIXPBM-OAHLLOKOSA-N 1 0 318.333 1.828 20 5 DDBDRO CC(C)[NH2+]CCCNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000843334867 702861535 /nfs/dbraw/zinc/86/15/35/702861535.db2.gz UHDAFLAOHYKEFG-UHFFFAOYSA-N 1 0 308.382 1.779 20 5 DDBDRO CN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@H]1CC[NH2+]C1 ZINC000843351041 702864456 /nfs/dbraw/zinc/86/44/56/702864456.db2.gz AWGQVFRBOBKDBW-NSHDSACASA-N 1 0 310.329 1.356 20 5 DDBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000843475155 702889116 /nfs/dbraw/zinc/88/91/16/702889116.db2.gz AIEBWQQXRLNBIU-XXAOINLKSA-N 1 0 307.325 1.766 20 5 DDBDRO Cc1nc([N+](=O)[O-])c(-c2noc([C@@H]3CC[C@@H](C4CC4)[NH2+]3)n2)n1C ZINC000844915018 703084390 /nfs/dbraw/zinc/08/43/90/703084390.db2.gz BEAKUTVJHJQWBP-UWVGGRQHSA-N 1 0 318.337 1.890 20 5 DDBDRO Cc1nn(CCC(=O)OCC[C@H]2CC[N@@H+](C)C2)c(C)c1[N+](=O)[O-] ZINC000847826196 703473616 /nfs/dbraw/zinc/47/36/16/703473616.db2.gz CBIKQEHPEWPSJU-CYBMUJFWSA-N 1 0 324.381 1.683 20 5 DDBDRO C[C@@H]([NH2+]C[C@H]1CN(C2CC2)C(=O)O1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000848569841 703563704 /nfs/dbraw/zinc/56/37/04/703563704.db2.gz HUZIMJTXFDCCDN-SKDRFNHKSA-N 1 0 320.349 1.811 20 5 DDBDRO C[NH+](C)CCNC(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000848579642 703564976 /nfs/dbraw/zinc/56/49/76/703564976.db2.gz KTDBUKHNJRGFPT-UHFFFAOYSA-N 1 0 303.265 1.244 20 5 DDBDRO CC(C)C[C@@H](C[NH3+])NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000818555159 703924721 /nfs/dbraw/zinc/92/47/21/703924721.db2.gz NKWRXMAVFXDYCT-LBPRGKRZSA-N 1 0 319.365 1.434 20 5 DDBDRO CC(=O)NC1CCC([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000818997556 704047326 /nfs/dbraw/zinc/04/73/26/704047326.db2.gz FISFJALITSPRAM-XUJLQICISA-N 1 0 321.377 1.665 20 5 DDBDRO COC(=O)N1CCC[C@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000819003040 704049722 /nfs/dbraw/zinc/04/97/22/704049722.db2.gz MUEGTGAEFJSYGL-JSGCOSHPSA-N 1 0 323.349 1.449 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CCOC[C@@H]2CCCO2)cc1 ZINC000819073507 704065379 /nfs/dbraw/zinc/06/53/79/704065379.db2.gz NGDYCEGKQPXTSD-GJZGRUSLSA-N 1 0 310.350 1.413 20 5 DDBDRO CC(C)(C)OC(=O)CC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819098507 704069783 /nfs/dbraw/zinc/06/97/83/704069783.db2.gz YZLSAKPEDCCMAO-CYBMUJFWSA-N 1 0 310.350 1.950 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)O[C@H](C[NH+](C)C)C(C)C ZINC000870571241 704077787 /nfs/dbraw/zinc/07/77/87/704077787.db2.gz XWHUCVDTLRITCD-GFCCVEGCSA-N 1 0 312.370 1.619 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)CC[NH2+]CC1CC1 ZINC000870870994 704151702 /nfs/dbraw/zinc/15/17/02/704151702.db2.gz SVEFOGGDDNPPKE-UHFFFAOYSA-N 1 0 307.350 1.609 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC2CC1(C[NH3+])C2 ZINC000852909781 704170252 /nfs/dbraw/zinc/17/02/52/704170252.db2.gz ZZDNJPXSTBZDSR-UHFFFAOYSA-N 1 0 304.350 1.224 20 5 DDBDRO C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])nc1Br)C1CC1 ZINC000853064643 704191239 /nfs/dbraw/zinc/19/12/39/704191239.db2.gz JVKOCKUBRMSBFY-QMMMGPOBSA-N 1 0 319.159 1.009 20 5 DDBDRO CCCc1n[nH]c(C(=O)N2CC[N@H+](C)C(C)(C)CC2)c1[N+](=O)[O-] ZINC000871153397 704232695 /nfs/dbraw/zinc/23/26/95/704232695.db2.gz FSDSSPZAPLYXHC-UHFFFAOYSA-N 1 0 323.397 1.827 20 5 DDBDRO CN(C)C(=O)CN(CC[NH+](C)C)c1ccc([N+](=O)[O-])cc1F ZINC000853833926 704323576 /nfs/dbraw/zinc/32/35/76/704323576.db2.gz QLPOMEPGPDWLNJ-UHFFFAOYSA-N 1 0 312.345 1.190 20 5 DDBDRO O=C1NCC[C@@H]1CC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000821343008 704393883 /nfs/dbraw/zinc/39/38/83/704393883.db2.gz TUBUIIKIQTWLQB-CYBMUJFWSA-N 1 0 318.377 1.243 20 5 DDBDRO Cc1c(C(=O)N(C)CC2C[NH+](C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000855639861 704494288 /nfs/dbraw/zinc/49/42/88/704494288.db2.gz OMGMRQKVJSMBOH-UHFFFAOYSA-N 1 0 322.321 1.445 20 5 DDBDRO Cc1ccc(O[C@@H]2CC[N@H+](CCn3cc([N+](=O)[O-])cn3)C2)nc1 ZINC000858036707 704660373 /nfs/dbraw/zinc/66/03/73/704660373.db2.gz QWVURIQTNVLWPE-CQSZACIVSA-N 1 0 317.349 1.648 20 5 DDBDRO CCc1ccc(S(=O)(=O)N(C)C[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000858639454 704738386 /nfs/dbraw/zinc/73/83/86/704738386.db2.gz ABVYXFSXZNKJOC-VIFPVBQESA-N 1 0 301.368 1.125 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2C[C@@H]3CCC[C@]3(CO)C2)c1 ZINC000859924850 705042839 /nfs/dbraw/zinc/04/28/39/705042839.db2.gz PRPXLECBBGWSOE-CWRNSKLLSA-N 1 0 306.362 1.723 20 5 DDBDRO CCCC[N@H+](C)CCNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825868754 705738497 /nfs/dbraw/zinc/73/84/97/705738497.db2.gz JQPSUFXAMOBOMK-AWEZNQCLSA-N 1 0 309.366 1.476 20 5 DDBDRO Cc1ccc([C@H](C)NC(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)cc1[N+](=O)[O-] ZINC000876701863 705826466 /nfs/dbraw/zinc/82/64/66/705826466.db2.gz YWVBVKHMQKVKQX-PEXQALLHSA-N 1 0 313.304 1.920 20 5 DDBDRO COc1ccc(NC(=O)CCN(C)C[C@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000863569075 705960394 /nfs/dbraw/zinc/96/03/94/705960394.db2.gz POVBIWCNOWCDES-JTQLQIEISA-N 1 0 310.354 1.211 20 5 DDBDRO CNc1nccc(C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000827252914 705960503 /nfs/dbraw/zinc/96/05/03/705960503.db2.gz ALTDZYPUZWNRQK-ZYHUDNBSSA-N 1 0 319.365 1.198 20 5 DDBDRO C[C@H]([C@H](C)[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)N1CCOCC1 ZINC000877025448 705963436 /nfs/dbraw/zinc/96/34/36/705963436.db2.gz KWLMATZWQIWLMB-MRFVTOPCSA-N 1 0 323.397 1.194 20 5 DDBDRO C[NH2+]CCOCCN(C)C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000877028157 705964439 /nfs/dbraw/zinc/96/44/39/705964439.db2.gz ZGTNHFMVXLAOQR-YVMONPNESA-N 1 0 307.350 1.302 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(F)cc3[N+](=O)[O-])CC[C@H]21 ZINC000827300689 705971716 /nfs/dbraw/zinc/97/17/16/705971716.db2.gz NCAPKWQUKMILIL-ZWNOBZJWSA-N 1 0 307.325 1.900 20 5 DDBDRO C[C@H](CC[S@@](C)=O)[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877088122 705979779 /nfs/dbraw/zinc/97/97/79/705979779.db2.gz BJKVUFLXRTULIC-SMPBRNSDSA-N 1 0 300.384 1.242 20 5 DDBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877285562 706048643 /nfs/dbraw/zinc/04/86/43/706048643.db2.gz VHIXTQZJONHTKJ-TZMCWYRMSA-N 1 0 318.377 1.750 20 5 DDBDRO Cn1c(C(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000877370582 706083762 /nfs/dbraw/zinc/08/37/62/706083762.db2.gz WNJKMZMQEQLDIR-YUMQZZPRSA-N 1 0 320.271 1.143 20 5 DDBDRO CC(C)(O)C[C@@H](O)C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000872201574 707323685 /nfs/dbraw/zinc/32/36/85/707323685.db2.gz AZNJNEIKWWFVBY-LLVKDONJSA-N 1 0 302.758 1.860 20 5 DDBDRO CC(C)c1ccc(C[N@@H+]2C[C@H](CO)[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000877764544 706201501 /nfs/dbraw/zinc/20/15/01/706201501.db2.gz HRWZSAUDWDBQQJ-OKILXGFUSA-N 1 0 308.378 1.751 20 5 DDBDRO C[C@@H](NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)C1=CC[N@H+](C)CC1 ZINC000828905411 706253409 /nfs/dbraw/zinc/25/34/09/706253409.db2.gz WPIPNMOQBOVGAA-ABAIWWIYSA-N 1 0 319.361 1.395 20 5 DDBDRO CC(C)CN(CC1CC[NH+](C)CC1)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000829589349 706362519 /nfs/dbraw/zinc/36/25/19/706362519.db2.gz XMKOIEGAUXZRAX-UHFFFAOYSA-N 1 0 323.397 1.758 20 5 DDBDRO O=[N+]([O-])c1cc(CO)c(N2CCC([NH2+]C3CC3)CC2)cc1F ZINC000865625157 706481079 /nfs/dbraw/zinc/48/10/79/706481079.db2.gz HHUJUORBMNTELR-UHFFFAOYSA-N 1 0 309.341 1.947 20 5 DDBDRO C[NH+](C)C[C@]1(O)CCCN(Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000878868698 706520830 /nfs/dbraw/zinc/52/08/30/706520830.db2.gz UVJXIFCJOCRVCH-OAHLLOKOSA-N 1 0 311.357 1.622 20 5 DDBDRO CC(C)[C@@H](C[NH+](C)C)NC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000865800980 706530772 /nfs/dbraw/zinc/53/07/72/706530772.db2.gz UVJNEJBFNLBNLZ-CYBMUJFWSA-N 1 0 311.357 1.979 20 5 DDBDRO NC(=O)[C@@H](F)C1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000879044768 706571366 /nfs/dbraw/zinc/57/13/66/706571366.db2.gz FYNCATUVCWIMFA-AWEZNQCLSA-N 1 0 309.341 1.673 20 5 DDBDRO CC(C)[NH2+]CCCNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000832611950 706949441 /nfs/dbraw/zinc/94/94/41/706949441.db2.gz DIVDJYOUVAVXGR-UHFFFAOYSA-N 1 0 319.365 1.449 20 5 DDBDRO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000832731426 706971498 /nfs/dbraw/zinc/97/14/98/706971498.db2.gz LCALPLJXDHKBIF-UFBFGSQYSA-N 1 0 308.294 1.312 20 5 DDBDRO Cc1c(C(=O)N2CCC(C)([NH3+])CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000834588494 707090364 /nfs/dbraw/zinc/09/03/64/707090364.db2.gz CPSXTYLSLIHXHZ-UHFFFAOYSA-N 1 0 322.321 1.765 20 5 DDBDRO C[N@@H+]1CC[C@H]2CN(Cn3ncc4ccc([N+](=O)[O-])cc43)CC[C@@H]21 ZINC000872726658 707573972 /nfs/dbraw/zinc/57/39/72/707573972.db2.gz UEAOAUKBONLFGV-ZFWWWQNUSA-N 1 0 315.377 1.928 20 5 DDBDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000837189581 707594457 /nfs/dbraw/zinc/59/44/57/707594457.db2.gz JOIGWQFQYMRZBX-GFCCVEGCSA-N 1 0 306.366 1.732 20 5 DDBDRO CC[N@@H+]1CC[C@H]1CNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000882486320 707657390 /nfs/dbraw/zinc/65/73/90/707657390.db2.gz QCEHBKSNMHRRRC-JTQLQIEISA-N 1 0 321.333 1.190 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC(C)([NH+]2CCC2)CC1 ZINC000882507386 707671775 /nfs/dbraw/zinc/67/17/75/707671775.db2.gz IWQTULRQQBZHJU-UHFFFAOYSA-N 1 0 307.354 1.029 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)OCC[N@H+](C)Cc1ccccc1 ZINC000837610702 707695036 /nfs/dbraw/zinc/69/50/36/707695036.db2.gz YUWJRNPWVGQDHG-UHFFFAOYSA-N 1 0 318.333 1.617 20 5 DDBDRO Cc1c(C[NH2+][C@@H](C)C2(S(C)(=O)=O)CC2)cccc1[N+](=O)[O-] ZINC000873124178 707741181 /nfs/dbraw/zinc/74/11/81/707741181.db2.gz CSNOKJLTGJBXDF-NSHDSACASA-N 1 0 312.391 1.959 20 5 DDBDRO C[C@]12C[NH2+]C[C@H]1CN(Cc1cc3c(cc1[N+](=O)[O-])OCCO3)C2 ZINC000873227664 707777230 /nfs/dbraw/zinc/77/72/30/707777230.db2.gz KPWYEUBCGIDCDS-BLLLJJGKSA-N 1 0 319.361 1.407 20 5 DDBDRO COc1ccc(C[NH2+][C@@H]2CCCC23OCCO3)cc1[N+](=O)[O-] ZINC000883178959 707948921 /nfs/dbraw/zinc/94/89/21/707948921.db2.gz JMDOFZWYYJVCEX-CQSZACIVSA-N 1 0 308.334 1.989 20 5 DDBDRO CC1(C)C[NH2+]C[C@H]1C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000884059448 708121554 /nfs/dbraw/zinc/12/15/54/708121554.db2.gz RYCRWUATSVRLTA-ZDUSSCGKSA-N 1 0 306.366 1.369 20 5 DDBDRO C[NH+]1CCC2(CCN2c2nc3ccccn3c2[N+](=O)[O-])CC1 ZINC000897137167 708237659 /nfs/dbraw/zinc/23/76/59/708237659.db2.gz USUUAHMIQLKYCF-UHFFFAOYSA-N 1 0 301.350 1.917 20 5 DDBDRO Cn1nccc1[C@H](O)C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000897302667 708284444 /nfs/dbraw/zinc/28/44/44/708284444.db2.gz TWHLLVVZPJDLGT-CYBMUJFWSA-N 1 0 310.741 1.805 20 5 DDBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]CC[C@H](O)C1CC1)OCCO2 ZINC000898206719 708572861 /nfs/dbraw/zinc/57/28/61/708572861.db2.gz UBKFIWWYVDTNFC-ZDUSSCGKSA-N 1 0 308.334 1.617 20 5 DDBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]CC[C@@H](O)C1CC1)OCCO2 ZINC000898206718 708572865 /nfs/dbraw/zinc/57/28/65/708572865.db2.gz UBKFIWWYVDTNFC-CYBMUJFWSA-N 1 0 308.334 1.617 20 5 DDBDRO CN(CC[N@H+](C)C1CCN(C)CC1)Cc1cccnc1[N+](=O)[O-] ZINC000886090484 708696661 /nfs/dbraw/zinc/69/66/61/708696661.db2.gz ZJQPKDGKRHEFGZ-UHFFFAOYSA-N 1 0 321.425 1.448 20 5 DDBDRO CCO[C@@H]1C[C@](CO)([NH2+]Cc2cccnc2[N+](=O)[O-])C1(C)C ZINC000886160272 708707983 /nfs/dbraw/zinc/70/79/83/708707983.db2.gz OWNXEWJDQWTJMV-IUODEOHRSA-N 1 0 309.366 1.646 20 5 DDBDRO [NH3+]C[C@H]1CN(Cc2cccnc2[N+](=O)[O-])C[C@@H]1C(F)(F)F ZINC000886841174 708859296 /nfs/dbraw/zinc/85/92/96/708859296.db2.gz DNMVZMRAUNDPDS-UWVGGRQHSA-N 1 0 304.272 1.559 20 5 DDBDRO O=[N+]([O-])c1ccc(CO)c(-c2ccc(C3(O)C[NH2+]C3)cc2)c1 ZINC000899323171 709058115 /nfs/dbraw/zinc/05/81/15/709058115.db2.gz ODZCVNOVKDMQSB-UHFFFAOYSA-N 1 0 300.314 1.545 20 5 DDBDRO CN(CC(C)(C)C[NH+](C)C)C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000890883993 710020850 /nfs/dbraw/zinc/02/08/50/710020850.db2.gz SVKHTZVIDYMFBH-UHFFFAOYSA-N 1 0 311.386 1.228 20 5 DDBDRO CCN1CC[NH+](C[C@@H](C)CNc2c([N+](=O)[O-])cnn2C)CC1 ZINC000891897639 710321089 /nfs/dbraw/zinc/32/10/89/710321089.db2.gz MFQKDOIZHORZBC-LBPRGKRZSA-N 1 0 310.402 1.014 20 5 DDBDRO O=[N+]([O-])c1cnc2ccc(F)cc2c1N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000891929035 710330535 /nfs/dbraw/zinc/33/05/35/710330535.db2.gz KXHJVIQDQHZCHI-UWVGGRQHSA-N 1 0 302.309 1.938 20 5 DDBDRO Cc1ccc(CNC(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000892077019 710367059 /nfs/dbraw/zinc/36/70/59/710367059.db2.gz DAZUMXQEFQDRMV-GXFFZTMASA-N 1 0 306.366 1.700 20 5 DDBDRO C[C@@H]1[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CC[N@@H+]1C ZINC000928455747 713204528 /nfs/dbraw/zinc/20/45/28/713204528.db2.gz UMMYINBGMWZOOQ-ZWNOBZJWSA-N 1 0 306.366 1.483 20 5 DDBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@H]1C[NH2+]CC1(C)C ZINC000902446348 710756832 /nfs/dbraw/zinc/75/68/32/710756832.db2.gz OGVQTRVYHKYBEY-FZMZJTMJSA-N 1 0 320.393 1.900 20 5 DDBDRO C[N@@H+]1C[C@@H]2CCN(c3cc4c(cc3[N+](=O)[O-])CCC(=O)N4)[C@@H]2C1 ZINC000893939090 710893135 /nfs/dbraw/zinc/89/31/35/710893135.db2.gz HFDVBUMDOKJOLS-XHDPSFHLSA-N 1 0 316.361 1.620 20 5 DDBDRO Cc1c([C@@H](C)[NH2+]C[C@]2(CO)COCCN2C)cccc1[N+](=O)[O-] ZINC000903281681 711087681 /nfs/dbraw/zinc/08/76/81/711087681.db2.gz QNELQHXXAUFZJM-CJNGLKHVSA-N 1 0 323.393 1.247 20 5 DDBDRO C[NH2+]CCCCC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000912000743 711110962 /nfs/dbraw/zinc/11/09/62/711110962.db2.gz JHCNWLIMGGSZED-UHFFFAOYSA-N 1 0 320.393 1.633 20 5 DDBDRO COc1c(O)ccc(C[N@@H+]2C[C@@H](C)C[C@H](CO)C2)c1[N+](=O)[O-] ZINC000894973828 711346340 /nfs/dbraw/zinc/34/63/40/711346340.db2.gz BECKRDUSKGUBBT-QWRGUYRKSA-N 1 0 310.350 1.759 20 5 DDBDRO C[N@@H+]1CC[C@H]1CNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000895776371 711604002 /nfs/dbraw/zinc/60/40/02/711604002.db2.gz HUNLXVVCAHWUHM-LBPRGKRZSA-N 1 0 304.350 1.603 20 5 DDBDRO Cc1ccc(CNC(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000896219978 711693524 /nfs/dbraw/zinc/69/35/24/711693524.db2.gz LAJSGXIPOIRIJI-OKILXGFUSA-N 1 0 318.377 1.606 20 5 DDBDRO COCC[C@@H]1C[NH2+]CCN1C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000904406764 711853682 /nfs/dbraw/zinc/85/36/82/711853682.db2.gz VWMSSXXJBADTDA-CYBMUJFWSA-N 1 0 322.365 1.745 20 5 DDBDRO O=[N+]([O-])CC[NH2+][C@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000905120081 711942134 /nfs/dbraw/zinc/94/21/34/711942134.db2.gz SWEKXGWGFBRKRG-JTQLQIEISA-N 1 0 301.293 1.733 20 5 DDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C[C@H]2C=CCC2)cc1 ZINC000905417440 712032579 /nfs/dbraw/zinc/03/25/79/712032579.db2.gz MCKRIZBLMGATPF-LBPRGKRZSA-N 1 0 310.375 1.924 20 5 DDBDRO CCO[C@@H](CNC[C@H](O)c1cccc([N+](=O)[O-])c1)C[NH+](C)C ZINC000905577777 712084172 /nfs/dbraw/zinc/08/41/72/712084172.db2.gz BOORPHKLJLUQNL-GJZGRUSLSA-N 1 0 311.382 1.185 20 5 DDBDRO C[C@H]1[C@@H](NC(=O)NCCNc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000913933882 713321939 /nfs/dbraw/zinc/32/19/39/713321939.db2.gz USZZDXSDUPAFSR-RYUDHWBXSA-N 1 0 321.381 1.399 20 5 DDBDRO C[NH+](C)C1CC(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000916955215 713476001 /nfs/dbraw/zinc/47/60/01/713476001.db2.gz GIIXAVGRGIZSRE-UHFFFAOYSA-N 1 0 317.342 1.105 20 5 DDBDRO CC(C)(C)OC(=O)CC[N@H+](CC[N+](=O)[O-])C1CCOCC1 ZINC000930808753 713925044 /nfs/dbraw/zinc/92/50/44/713925044.db2.gz KTEZDSFZXWEFLZ-UHFFFAOYSA-N 1 0 302.371 1.476 20 5 DDBDRO CN1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC[N@H+](C)CC1 ZINC000930882364 713949079 /nfs/dbraw/zinc/94/90/79/713949079.db2.gz KEVNGKOXQXQSKN-UHFFFAOYSA-N 1 0 321.381 1.306 20 5 DDBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@@H](C3OCCO3)C2)c1 ZINC000932009871 714233844 /nfs/dbraw/zinc/23/38/44/714233844.db2.gz IVQRCOOMWHDDAU-GFCCVEGCSA-N 1 0 308.334 1.668 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000923309204 714306553 /nfs/dbraw/zinc/30/65/53/714306553.db2.gz MVWXQHPPUFWHJQ-YPMHNXCESA-N 1 0 319.361 1.912 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)CN2C[C@H]3CCC[C@@H](C2)[NH2+]3)c1 ZINC000923365520 714329153 /nfs/dbraw/zinc/32/91/53/714329153.db2.gz WQVRZZXOXDHUFC-GUTXKFCHSA-N 1 0 321.377 1.161 20 5 DDBDRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000923371045 714331644 /nfs/dbraw/zinc/33/16/44/714331644.db2.gz URIYHHQVQCWIBF-BRXULGCHSA-N 1 0 323.393 1.311 20 5 DDBDRO O=[N+]([O-])c1cccc(OCCN2CCC[C@H]([NH2+]CCO)C2)c1 ZINC000923404986 714344763 /nfs/dbraw/zinc/34/47/63/714344763.db2.gz OHXYZNYJXVINCN-ZDUSSCGKSA-N 1 0 309.366 1.020 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000923417247 714349163 /nfs/dbraw/zinc/34/91/63/714349163.db2.gz WBHNKSWLOYIEBP-MGPQQGTHSA-N 1 0 321.377 1.161 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000923417248 714349412 /nfs/dbraw/zinc/34/94/12/714349412.db2.gz WBHNKSWLOYIEBP-RDBSUJKOSA-N 1 0 321.377 1.161 20 5 DDBDRO CCN(C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CC[NH2+]C1 ZINC000923426609 714352187 /nfs/dbraw/zinc/35/21/87/714352187.db2.gz UDVIGJDITSEODB-KBPBESRZSA-N 1 0 309.366 1.018 20 5 DDBDRO C[C@@H]1[C@H](C)[NH2+]C[C@H](C)N1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000923441732 714356928 /nfs/dbraw/zinc/35/69/28/714356928.db2.gz JUMRJNMTTWHIRF-RWMBFGLXSA-N 1 0 320.393 1.628 20 5 DDBDRO C[C@H]1[C@H](NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000925317524 714806886 /nfs/dbraw/zinc/80/68/86/714806886.db2.gz MCKAOCIKYMURRK-WCQYABFASA-N 1 0 306.366 1.829 20 5 DDBDRO Cn1cc(C[N@@H+]2CCCC[C@H]([C@@H]3CCOC3)C2)c([N+](=O)[O-])n1 ZINC000934832076 714912781 /nfs/dbraw/zinc/91/27/81/714912781.db2.gz NIFDRDMJQCTBSO-QWHCGFSZSA-N 1 0 308.382 1.967 20 5 DDBDRO Cc1[nH]ccc1C(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001125430109 733311242 /nfs/dbraw/zinc/31/12/42/733311242.db2.gz XPXAQHIOIUBIJV-UHFFFAOYSA-N 1 0 302.334 1.751 20 5 DDBDRO N=c1cc(C[NH3+])ccn1-c1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC001167689463 735975271 /nfs/dbraw/zinc/97/52/71/735975271.db2.gz HOAGHJHWCFJWGW-UHFFFAOYSA-N 1 0 313.239 1.737 20 5 DDBDRO COC(=O)[C@@H](CCC[NH3+])Nc1ccc(N(C)C)cc1[N+](=O)[O-] ZINC001167900456 739220280 /nfs/dbraw/zinc/22/02/80/739220280.db2.gz DYZNUJQDURTAEF-GFCCVEGCSA-N 1 0 310.354 1.353 20 5 DDBDRO Cc1ccc(CCC[NH2+]CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC001126936848 742843498 /nfs/dbraw/zinc/84/34/98/742843498.db2.gz UNSQJPMAUZPACJ-HUUCEWRRSA-N 1 0 305.378 1.299 20 5 DDBDRO O=[N+]([O-])c1cc(F)c(CN2C[C@H](CO)[C@@H](CCO)C2)c(F)c1 ZINC001198755108 747599961 /nfs/dbraw/zinc/59/99/61/747599961.db2.gz XKVFQBZOMOBVQL-VHSXEESVSA-N 1 0 316.304 1.296 20 5 DDBDRO CCCCOCC(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001125078294 748835285 /nfs/dbraw/zinc/83/52/85/748835285.db2.gz OATUFUJJZWJPLV-UHFFFAOYSA-N 1 0 309.366 1.617 20 5 DDBDRO CC(C)[N@H+](C)CC(=O)NC/C=C/CNc1ccc([N+](=O)[O-])cn1 ZINC001107234057 749663958 /nfs/dbraw/zinc/66/39/58/749663958.db2.gz WMEJFWXVVRDHJO-SNAWJCMRSA-N 1 0 321.381 1.414 20 5 DDBDRO C[NH+](C)CCC(=O)NC/C=C/CNc1ccc([N+](=O)[O-])cc1F ZINC001107489990 750045334 /nfs/dbraw/zinc/04/53/34/750045334.db2.gz OTUPCBUYVDYKEY-ONEGZZNKSA-N 1 0 324.356 1.770 20 5 DDBDRO CC(=O)NCC[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC001111309543 750443281 /nfs/dbraw/zinc/44/32/81/750443281.db2.gz RGUWXVZFCDPSJR-UHFFFAOYSA-N 1 0 324.356 1.746 20 5 DDBDRO O=C(NCC1([NH2+]C/C=C/Cl)CCCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001115530740 751045512 /nfs/dbraw/zinc/04/55/12/751045512.db2.gz OMBLSZZFJROUQF-KSOFABFVSA-N 1 0 315.801 1.813 20 5 DDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(C[NH2+]Cc2ccccc2)CC1 ZINC000997770906 751268540 /nfs/dbraw/zinc/26/85/40/751268540.db2.gz AVMGKEVYYMZGDY-HZPDHXFCSA-N 1 0 317.389 1.680 20 5 DDBDRO O=C1C[C@H]([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CN1Cc1ccccc1 ZINC001168968404 762158222 /nfs/dbraw/zinc/15/82/22/762158222.db2.gz YUTCLYLGAIBXSW-XHSDSOJGSA-N 1 0 317.389 1.823 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CC2CCN(c3ccncn3)CC2)C1 ZINC001168997453 762170217 /nfs/dbraw/zinc/17/02/17/762170217.db2.gz ZMZYGLPZQYAQLC-CABCVRRESA-N 1 0 319.409 1.728 20 5 DDBDRO [NH3+]Cc1ccc(-c2nnn([C@H]3CC[C@H](C[N+](=O)[O-])C3)n2)cc1 ZINC001169000728 762171728 /nfs/dbraw/zinc/17/17/28/762171728.db2.gz AROGXGKVBWOPEB-AAEUAGOBSA-N 1 0 302.338 1.417 20 5 DDBDRO O=C(C1CCCC1)N1CC[C@@H]([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168990709 762182228 /nfs/dbraw/zinc/18/22/28/762182228.db2.gz DMEYQZRXBQEQJN-VHDGCEQUSA-N 1 0 309.410 1.813 20 5 DDBDRO CCOC(=O)C1=C(O)CC[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169029688 762186234 /nfs/dbraw/zinc/18/62/34/762186234.db2.gz VFSCUCSJTKGPJQ-FRRDWIJNSA-N 1 0 312.366 1.276 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCC(Oc3ncccn3)CC2)C1 ZINC001169035295 762190800 /nfs/dbraw/zinc/19/08/00/762190800.db2.gz KDMUUJNZCPJGRC-OLZOCXBDSA-N 1 0 306.366 1.765 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCN(c3cccc(O)c3)CC2)C1 ZINC001169035861 762191801 /nfs/dbraw/zinc/19/18/01/762191801.db2.gz DMWYNGJJMXISHV-UKRRQHHQSA-N 1 0 305.378 1.960 20 5 DDBDRO COc1cccnc1O[C@@H]1CC[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169050669 762207220 /nfs/dbraw/zinc/20/72/20/762207220.db2.gz CHCYGVHIMOSZOM-MELADBBJSA-N 1 0 321.377 1.989 20 5 DDBDRO CCOC(=O)C1(Nc2nccc(N)c2[N+](=O)[O-])CC[NH+](C)CC1 ZINC001169490544 762478000 /nfs/dbraw/zinc/47/80/00/762478000.db2.gz ANJNWKYSAGMEMM-UHFFFAOYSA-N 1 0 323.353 1.011 20 5 DDBDRO COC(=O)c1ncc([N+](=O)[O-])cc1NCC12CC[NH+](CC1)CC2 ZINC001169800587 762666868 /nfs/dbraw/zinc/66/68/68/762666868.db2.gz YWTSNGICQROIJJ-UHFFFAOYSA-N 1 0 320.349 1.674 20 5 DDBDRO O=C(N[C@H]1C[C@H]([NH2+]CCc2ccccc2F)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001020139568 760613729 /nfs/dbraw/zinc/61/37/29/760613729.db2.gz GBZGEMRSJJVGIA-RGCMKSIDSA-N 1 0 321.352 1.270 20 5 DDBDRO C[NH+]1CC(CNc2nccc(Br)c2[N+](=O)[O-])C1 ZINC001170256639 766205513 /nfs/dbraw/zinc/20/55/13/766205513.db2.gz QSPMULXLVXQOPS-UHFFFAOYSA-N 1 0 301.144 1.726 20 5 DDBDRO COc1ccc(C[C@H](C)[NH2+][C@H]2CCCNC(=O)C2)c([N+](=O)[O-])c1 ZINC001170325888 766253098 /nfs/dbraw/zinc/25/30/98/766253098.db2.gz BQPILESMVJKSPW-AAEUAGOBSA-N 1 0 321.377 1.793 20 5 DDBDRO COc1ccc(C[C@H](C)[N@@H+]2C[C@@H](OC)[C@@H](OC)C2)c([N+](=O)[O-])c1 ZINC001170328654 766253862 /nfs/dbraw/zinc/25/38/62/766253862.db2.gz LAVBFPYZKLLBAD-KNXALSJPSA-N 1 0 324.377 1.880 20 5 DDBDRO COc1ccc(C[C@H](C)[NH2+]CC2(C)OCCO2)c([N+](=O)[O-])c1 ZINC001170308785 766259264 /nfs/dbraw/zinc/25/92/64/766259264.db2.gz OUCPSPBMXWCFOS-NSHDSACASA-N 1 0 310.350 1.887 20 5 DDBDRO C[C@@H]1CN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H](C)[N@H+]1CCO ZINC001170352517 766260701 /nfs/dbraw/zinc/26/07/01/766260701.db2.gz XNDMNPBVMDMQMM-DVOMOZLQSA-N 1 0 323.393 1.015 20 5 DDBDRO COc1ccc(C[C@@H](C)[N@H+](C)CCC(=O)N(C)C)c([N+](=O)[O-])c1 ZINC001170352040 766280065 /nfs/dbraw/zinc/28/00/65/766280065.db2.gz KFWLEMIZZBISDF-GFCCVEGCSA-N 1 0 323.393 1.945 20 5 DDBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C1(C2CC2)CC1 ZINC001130017195 767135754 /nfs/dbraw/zinc/13/57/54/767135754.db2.gz WBWRGECIKNQINQ-UHFFFAOYSA-N 1 0 303.362 1.991 20 5 DDBDRO Cc1nocc1C(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001133228182 769605952 /nfs/dbraw/zinc/60/59/52/769605952.db2.gz ZKAQWHASBSYBSW-UHFFFAOYSA-N 1 0 310.335 1.472 20 5 DDBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cnc(N)c([N+](=O)[O-])c2)C[C@@H]1C ZINC001147741598 773227710 /nfs/dbraw/zinc/22/77/10/773227710.db2.gz GEKCQQIFFCEZMA-CMPLNLGQSA-N 1 0 321.381 1.517 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(N(C)CCNC(=O)C[N@@H+](C)C(C)C)c1 ZINC001100149975 775735546 /nfs/dbraw/zinc/73/55/46/775735546.db2.gz XYRREWWZDXCJHE-UHFFFAOYSA-N 1 0 322.409 1.796 20 5 DDBDRO CC[N@H+](C)CCC(=O)NCCCNc1nc(C)ccc1[N+](=O)[O-] ZINC001094573775 776047572 /nfs/dbraw/zinc/04/75/72/776047572.db2.gz GSSDVRZTIVCRGR-UHFFFAOYSA-N 1 0 323.397 1.558 20 5 DDBDRO CCN(CCNC(=O)C[N@H+](C)C(C)C)c1ncccc1[N+](=O)[O-] ZINC001100546922 776292605 /nfs/dbraw/zinc/29/26/05/776292605.db2.gz YLCRJXGLDOYOPM-UHFFFAOYSA-N 1 0 323.397 1.273 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]CCCOCCO)CC2 ZINC001172901747 776916163 /nfs/dbraw/zinc/91/61/63/776916163.db2.gz KCALZAXKYCVIHS-OAHLLOKOSA-N 1 0 308.378 1.831 20 5 DDBDRO CCNC(=O)C[N@H+](C)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172907067 776918253 /nfs/dbraw/zinc/91/82/53/776918253.db2.gz CMEVWUXUCATIQF-AWEZNQCLSA-N 1 0 305.378 1.910 20 5 DDBDRO C[C@H](O)C[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173007654 776960320 /nfs/dbraw/zinc/96/03/20/776960320.db2.gz WMTJHPRYBFVQOA-VIFPVBQESA-N 1 0 315.320 1.812 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C(C)(CO)CO)c1F ZINC001173176661 777033929 /nfs/dbraw/zinc/03/39/29/777033929.db2.gz LHODTVIQLMOFOH-VIFPVBQESA-N 1 0 316.329 1.006 20 5 DDBDRO CCNC(=O)C[NH2+][C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173180656 777035570 /nfs/dbraw/zinc/03/55/70/777035570.db2.gz XZHLPPDTXJERMP-SECBINFHSA-N 1 0 313.329 1.399 20 5 DDBDRO CNC(=O)CC[NH2+][C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173192395 777036300 /nfs/dbraw/zinc/03/63/00/777036300.db2.gz PTYBGLUKQILWJW-SECBINFHSA-N 1 0 313.329 1.399 20 5 DDBDRO CNC(=O)NC1CC[NH+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173238478 777077267 /nfs/dbraw/zinc/07/72/67/777077267.db2.gz SXTUPXNODVWRQM-GFCCVEGCSA-N 1 0 320.393 1.919 20 5 DDBDRO Cc1ccnc(NCCN(C)C(=O)C[NH+]2CCCC2)c1[N+](=O)[O-] ZINC001101633286 777328491 /nfs/dbraw/zinc/32/84/91/777328491.db2.gz JIQAMTDBEDBWLL-UHFFFAOYSA-N 1 0 321.381 1.264 20 5 DDBDRO C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC001178202913 778941930 /nfs/dbraw/zinc/94/19/30/778941930.db2.gz KMIUVBGYKBKNRT-SNVBAGLBSA-N 1 0 316.321 1.064 20 5 DDBDRO CC(C)(C)[NH2+]CC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001116745057 780551528 /nfs/dbraw/zinc/55/15/28/780551528.db2.gz ZRYCXDNIROKSTE-UHFFFAOYSA-N 1 0 307.350 1.573 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)c1 ZINC001118089624 781023071 /nfs/dbraw/zinc/02/30/71/781023071.db2.gz XJUZIJDTALCUGC-MYPMTAMASA-N 1 0 308.334 1.244 20 5 DDBDRO Cc1cncc([N+](=O)[O-])c1N[C@@H](C)CN(C)CCC[NH+](C)C ZINC001118535865 781152857 /nfs/dbraw/zinc/15/28/57/781152857.db2.gz GSTFGBHLABZIIB-ZDUSSCGKSA-N 1 0 309.414 1.404 20 5 DDBDRO C[N@H+](CCNC(=O)c1ccccn1)Cc1ccc([N+](=O)[O-])cc1 ZINC001267182654 837487884 /nfs/dbraw/zinc/48/78/84/837487884.db2.gz MTNCDOUDKWEPPZ-UHFFFAOYSA-N 1 0 314.345 1.852 20 5 DDBDRO CN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)Cc1ccoc1 ZINC001266681847 836659460 /nfs/dbraw/zinc/65/94/60/836659460.db2.gz FOWQZZJWERCSMH-UHFFFAOYSA-N 1 0 317.345 1.979 20 5 DDBDRO C[NH2+][C@@H](C)CCNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC001326216325 861203142 /nfs/dbraw/zinc/20/31/42/861203142.db2.gz KCFIIJVOSZWPJH-JTQLQIEISA-N 1 0 301.368 1.012 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cnc(Cl)c(Cl)c1 ZINC001227226732 843379666 /nfs/dbraw/zinc/37/96/66/843379666.db2.gz WDQPIKZPYZXWBM-MRVPVSSYSA-N 1 0 308.185 1.751 20 5 DDBDRO O=C(COC1CC[NH2+]CC1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001326805743 861622297 /nfs/dbraw/zinc/62/22/97/861622297.db2.gz KYKHHEBUQKSHAW-UHFFFAOYSA-N 1 0 305.334 1.206 20 5 DDBDRO COCC[N@@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])cc(C)n2)CC1 ZINC001292190694 846474835 /nfs/dbraw/zinc/47/48/35/846474835.db2.gz ACCZSJFQZLGWJN-UHFFFAOYSA-N 1 0 322.365 1.093 20 5 DDBDRO O=[N+]([O-])c1cc(Cl)[n+]([O-])c(NC[C@]2(F)CCCC[NH2+]C2)c1 ZINC001155116943 861750616 /nfs/dbraw/zinc/75/06/16/861750616.db2.gz MUITUSRXEPACKM-LBPRGKRZSA-N 1 0 318.736 1.775 20 5 DDBDRO Cc1cnccc1CNc1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001155225546 861860758 /nfs/dbraw/zinc/86/07/58/861860758.db2.gz UOPQJISMAKRUCI-UHFFFAOYSA-N 1 0 300.322 1.387 20 5 DDBDRO O=C(NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccc(=O)[nH]c1 ZINC001149747151 861873166 /nfs/dbraw/zinc/87/31/66/861873166.db2.gz CDBUQQUJZNJTTA-UHFFFAOYSA-N 1 0 316.317 1.215 20 5 DDBDRO [NH3+][C@H]1COC[C@H]1Nc1cc2ccc(Cl)nc2cc1[N+](=O)[O-] ZINC001155354653 861989246 /nfs/dbraw/zinc/98/92/46/861989246.db2.gz OMAWBTIEYRPOGY-GZMMTYOYSA-N 1 0 308.725 1.934 20 5 DDBDRO Cc1nc(Cl)nc(NCc2noc3c2C[NH2+]CC3)c1[N+](=O)[O-] ZINC001155495032 862157532 /nfs/dbraw/zinc/15/75/32/862157532.db2.gz LBRZFMGYZHNOQJ-UHFFFAOYSA-N 1 0 324.728 1.592 20 5 DDBDRO O=[N+]([O-])c1ccc2ccc(N[C@@H]3C[NH2+][C@@H]4COC[C@H]34)nc2c1 ZINC001155502778 862167067 /nfs/dbraw/zinc/16/70/67/862167067.db2.gz MLKGAIFXZSZQAL-MRVWCRGKSA-N 1 0 300.318 1.542 20 5 DDBDRO COc1cnc(NC[C@H]2OC[C@H]3C[NH2+]CC[C@H]32)c([N+](=O)[O-])c1 ZINC001155523386 862190217 /nfs/dbraw/zinc/19/02/17/862190217.db2.gz QDILHZZNWIDCDE-IRUJWGPZSA-N 1 0 308.338 1.035 20 5 DDBDRO O=C1C[C@@H]2[NH2+]CC[C@]2(Nc2ccc3cccc([N+](=O)[O-])c3n2)N1 ZINC001155568977 862235782 /nfs/dbraw/zinc/23/57/82/862235782.db2.gz DAOYUGLYPJADRH-NHYWBVRUSA-N 1 0 313.317 1.133 20 5 DDBDRO CCn1c(C[N+](=O)[O-])nnc1N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@H]2C1 ZINC001121791969 858597403 /nfs/dbraw/zinc/59/74/03/858597403.db2.gz PFINGAMIHAJJDF-RWMBFGLXSA-N 1 0 322.413 1.241 20 5 DDBDRO C[C@@H]1C[NH2+]C[C@H]1NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC001122225865 858719560 /nfs/dbraw/zinc/71/95/60/858719560.db2.gz WILYRKLSCAFNCU-BXUZGUMPSA-N 1 0 303.362 1.741 20 5 DDBDRO COc1ccc(C(=O)NC[C@]23CCC[C@H]2[NH2+]CC3)cc1[N+](=O)[O-] ZINC001122281304 858737642 /nfs/dbraw/zinc/73/76/42/858737642.db2.gz KGSPCNJGQCTEDT-GDBMZVCRSA-N 1 0 319.361 1.865 20 5 DDBDRO CN(C(=O)/C=C\c1ccc([N+](=O)[O-])cc1)C1(C[NH3+])CCOCC1 ZINC001122356862 858775836 /nfs/dbraw/zinc/77/58/36/858775836.db2.gz NKPDVIYGXIXAMB-DAXSKMNVSA-N 1 0 319.361 1.574 20 5 DDBDRO C[C@H](NC(=O)[C@H]1C[N@@H+]2CCN1C[C@@H]2C)c1ccccc1[N+](=O)[O-] ZINC001123975897 859506809 /nfs/dbraw/zinc/50/68/09/859506809.db2.gz GUSQVLAMRAVGBN-SLEUVZQESA-N 1 0 318.377 1.160 20 5 DDBDRO CNc1ccc(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](C)C[C@@H]23)cc1[N+](=O)[O-] ZINC001124109341 859583932 /nfs/dbraw/zinc/58/39/32/859583932.db2.gz MLWUUPLRAARESF-JHJVBQTASA-N 1 0 318.377 1.707 20 5 DDBDRO Cc1cc(NC(=O)c2cnn(CC[NH+](C)C)c2)cc([N+](=O)[O-])c1 ZINC001124126479 859593092 /nfs/dbraw/zinc/59/30/92/859593092.db2.gz ONDGUFPLOLJBBH-UHFFFAOYSA-N 1 0 317.349 1.914 20 5 DDBDRO Cn1cc(C(=O)NCCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC001154510133 861158779 /nfs/dbraw/zinc/15/87/79/861158779.db2.gz GUIZCJHFBHAMJA-UHFFFAOYSA-N 1 0 317.349 1.238 20 5 DDBDRO Cn1ccc(C(=O)NCCC[NH2+]Cc2cccc([N+](=O)[O-])c2)c1 ZINC001156552889 863141167 /nfs/dbraw/zinc/14/11/67/863141167.db2.gz RFROKKDAMPJVFU-UHFFFAOYSA-N 1 0 316.361 1.843 20 5 DDBDRO CC[N@@H+]1C[C@H](NC(=O)c2ccnc(N)c2[N+](=O)[O-])C(C)(C)C1 ZINC001156836516 863384380 /nfs/dbraw/zinc/38/43/80/863384380.db2.gz KOPWEIPPPMRQDD-JTQLQIEISA-N 1 0 307.354 1.032 20 5 DDBDRO CC(C)[N@H+](C)[C@H]1CCN(c2c(Cl)[n+]([O-])ccc2[N+](=O)[O-])C1 ZINC001157009826 863515108 /nfs/dbraw/zinc/51/51/08/863515108.db2.gz NFFOXEFPSPGNTR-JTQLQIEISA-N 1 0 314.773 1.801 20 5 DDBDRO COC(=O)c1cnc(N2C[C@H]3[C@H](C2)CCC[N@@H+]3C)c([N+](=O)[O-])c1 ZINC001157266082 863694806 /nfs/dbraw/zinc/69/48/06/863694806.db2.gz NQEOHOJJWFQXQE-GWCFXTLKSA-N 1 0 320.349 1.307 20 5 DDBDRO O=[N+]([O-])c1cnc(NCC2(F)CCOCC2)nc1C1C[NH2+]C1 ZINC001157358382 863765713 /nfs/dbraw/zinc/76/57/13/863765713.db2.gz UKGDRYFUTAULGR-UHFFFAOYSA-N 1 0 311.317 1.002 20 5 DDBDRO CCOC(=O)c1ccnc(N2CCC[C@H]([NH3+])[C@H]2C)c1[N+](=O)[O-] ZINC001157748154 864100493 /nfs/dbraw/zinc/10/04/93/864100493.db2.gz SYVHBDNZPTXBEV-KOLCDFICSA-N 1 0 308.338 1.483 20 5 DDBDRO CCOC(=O)c1ccnc(N(C(C)C)[C@@H]2CC[NH2+]C2)c1[N+](=O)[O-] ZINC001158035217 864374842 /nfs/dbraw/zinc/37/48/42/864374842.db2.gz PUPXPMQKSQDWMY-LLVKDONJSA-N 1 0 322.365 1.743 20 5 DDBDRO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NCC[NH+]1CC=CC1 ZINC001330677813 864530048 /nfs/dbraw/zinc/53/00/48/864530048.db2.gz JGEILQUTTJKEKN-UHFFFAOYSA-N 1 0 314.345 1.538 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC2(CCNC2=O)CC1 ZINC001330719682 864549741 /nfs/dbraw/zinc/54/97/41/864549741.db2.gz XUILVEIZXMMRNZ-UHFFFAOYSA-N 1 0 319.361 1.706 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])c(NCc2ncn3c2C[NH2+]CCC3)n1 ZINC001158359811 864604049 /nfs/dbraw/zinc/60/40/49/864604049.db2.gz XIHOQLUGGHKMAR-UHFFFAOYSA-N 1 0 316.365 1.909 20 5 DDBDRO COc1ncnc(N2CC[N@H+](C)CC23CCCC3)c1[N+](=O)[O-] ZINC001158408905 864634473 /nfs/dbraw/zinc/63/44/73/864634473.db2.gz QWKORMOOEWOVLM-UHFFFAOYSA-N 1 0 307.354 1.458 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccccc1-c1ccno1 ZINC001225358933 881796597 /nfs/dbraw/zinc/79/65/97/881796597.db2.gz SDPJBZHOCMCXPK-GFCCVEGCSA-N 1 0 305.354 1.704 20 5 DDBDRO O=[N+]([O-])c1c(Cl)nc(Cl)nc1N1CCC2(C[NH2+]C2)CC1 ZINC001159042554 865066036 /nfs/dbraw/zinc/06/60/36/865066036.db2.gz XNMHAJGFDFRILN-UHFFFAOYSA-N 1 0 318.164 1.881 20 5 DDBDRO Cc1c(CC[NH3+])c(=O)[nH]n1-c1ncnc2ccc([N+](=O)[O-])cc21 ZINC001159293655 865206677 /nfs/dbraw/zinc/20/66/77/865206677.db2.gz LOZBHCBPPZKNCO-UHFFFAOYSA-N 1 0 314.305 1.239 20 5 DDBDRO CC1(C)[C@H]([NH3+])C[C@H]1C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001331690847 865247502 /nfs/dbraw/zinc/24/75/02/865247502.db2.gz CQSKBSFUMLZSAZ-UONOGXRCSA-N 1 0 303.362 1.853 20 5 DDBDRO CCOC(=O)C1C[NH2+]CCC1=Nc1nccc(C)c1[N+](=O)[O-] ZINC001159453031 865309220 /nfs/dbraw/zinc/30/92/20/865309220.db2.gz MVRAEVXEXLMSBK-UHFFFAOYSA-N 1 0 306.322 1.521 20 5 DDBDRO C[C@@H](Nc1cnc2ccc([N+](=O)[O-])cc2n1)[C@@H]1C[NH2+]CCO1 ZINC001159497452 865350558 /nfs/dbraw/zinc/35/05/58/865350558.db2.gz OAUOGJYFEDVDLK-RNCFNFMXSA-N 1 0 303.322 1.327 20 5 DDBDRO CC(C)Oc1nc(N[C@H](C)[C@@H]2C[NH2+]CCO2)ccc1[N+](=O)[O-] ZINC001159503183 865364626 /nfs/dbraw/zinc/36/46/26/865364626.db2.gz UOATVXOTJJDRHW-PWSUYJOCSA-N 1 0 310.354 1.566 20 5 DDBDRO CCOC(=O)CN(CC[NH3+])c1nc(C)cc(Cl)c1[N+](=O)[O-] ZINC001159864134 865566543 /nfs/dbraw/zinc/56/65/43/865566543.db2.gz LETFNFZZLVRMGH-UHFFFAOYSA-N 1 0 316.745 1.280 20 5 DDBDRO CC[N@H+](C)[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC001160152451 865702658 /nfs/dbraw/zinc/70/26/58/865702658.db2.gz BISZCSGSGMJCQC-GFCCVEGCSA-N 1 0 307.350 1.770 20 5 DDBDRO C[NH+](C)[C@H]1CCCC[C@H]1Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC001333699515 866947565 /nfs/dbraw/zinc/94/75/65/866947565.db2.gz KHYSQFJGCNWJPM-OCCSQVGLSA-N 1 0 306.366 1.978 20 5 DDBDRO C[NH+](C)[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])cnc2N)C1(C)C ZINC001162905185 867909773 /nfs/dbraw/zinc/90/97/73/867909773.db2.gz QIQYXLXZOMJYRT-MNOVXSKESA-N 1 0 307.354 1.031 20 5 DDBDRO COC(=O)[C@@H](Nc1cc2c(c([N+](=O)[O-])c1)NN(C)C2)C(C)(C)[NH3+] ZINC001162955240 867944253 /nfs/dbraw/zinc/94/42/53/867944253.db2.gz BFMVQVNUTPWCHU-GFCCVEGCSA-N 1 0 323.353 1.058 20 5 DDBDRO O=C1C[C@@H]2[NH2+]CC[C@]2(Nc2ncnc3cc4ccccc4cc32)N1 ZINC001163238454 868246750 /nfs/dbraw/zinc/24/67/50/868246750.db2.gz CJRXWBFCJRHMFO-MAUKXSAKSA-N 1 0 319.368 1.773 20 5 DDBDRO COc1cccc([C@@H](C[NH3+])Nc2ncc([N+](=O)[O-])c(OC)n2)c1 ZINC001163303438 868326874 /nfs/dbraw/zinc/32/68/74/868326874.db2.gz LSQMCQISJLVUIX-LLVKDONJSA-N 1 0 319.321 1.514 20 5 DDBDRO COc1cccc([C@H](C[NH3+])Nc2cc(N)c([N+](=O)[O-])cn2)c1 ZINC001163308287 868333701 /nfs/dbraw/zinc/33/37/01/868333701.db2.gz AKLPVHTVFXMUMI-LBPRGKRZSA-N 1 0 303.322 1.693 20 5 DDBDRO CC(C)(O)C[N@@H+]1CC[C@H](Nc2c3c(ccc2[N+](=O)[O-])NCC3)C1 ZINC001335513253 868353171 /nfs/dbraw/zinc/35/31/71/868353171.db2.gz URSDEHKPNPMUKT-NSHDSACASA-N 1 0 320.393 1.820 20 5 DDBDRO C[C@@H]1C[NH2+]C[C@H]1CNC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC001336176857 868772118 /nfs/dbraw/zinc/77/21/18/868772118.db2.gz XONOZYKASPWTHU-OCCSQVGLSA-N 1 0 320.393 1.634 20 5 DDBDRO C[NH+]1CCC2(CC1)C[C@H](NCC[N+](=O)[O-])c1ccccc1O2 ZINC001336733203 869114916 /nfs/dbraw/zinc/11/49/16/869114916.db2.gz KQBLOOAKHDJKJC-AWEZNQCLSA-N 1 0 305.378 1.841 20 5 DDBDRO C[N@@H+]1CCCC[C@H]1CNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC001336746989 869122180 /nfs/dbraw/zinc/12/21/80/869122180.db2.gz YVHFRIWNOPJHIM-ZDUSSCGKSA-N 1 0 321.377 1.964 20 5 DDBDRO COc1cc(C)nc(N2CC[C@@]3(C2)CCC[NH2+]C3)c1[N+](=O)[O-] ZINC001165236854 869455904 /nfs/dbraw/zinc/45/59/04/869455904.db2.gz NDUDARJHGQGNEL-HNNXBMFYSA-N 1 0 306.366 1.887 20 5 DDBDRO COc1nc(N2C[C@H](CF)[C@@H](C3([NH3+])CC3)C2)ccc1[N+](=O)[O-] ZINC001165429900 869593271 /nfs/dbraw/zinc/59/32/71/869593271.db2.gz KFPKEAOHUFMBSA-UWVGGRQHSA-N 1 0 310.329 1.512 20 5 DDBDRO COc1cc(-n2ccc([C@@H]3CCC[NH2+]3)nc2=N)ncc1[N+](=O)[O-] ZINC001166700242 870168918 /nfs/dbraw/zinc/16/89/18/870168918.db2.gz DAGRSLKXZDEIJZ-VIFPVBQESA-N 1 0 316.321 1.088 20 5 DDBDRO Cc1cnc(-n2ccc([C@@H]3CCC[NH2+]3)nc2=N)c([N+](=O)[O-])c1 ZINC001166702015 870170468 /nfs/dbraw/zinc/17/04/68/870170468.db2.gz XQAAGXAAEMDRKM-JTQLQIEISA-N 1 0 300.322 1.388 20 5 DDBDRO CCOCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC001317204933 870466835 /nfs/dbraw/zinc/46/68/35/870466835.db2.gz LSYUAGNYKOSGQI-VIKVFOODSA-N 1 0 319.361 1.178 20 5 DDBDRO CCn1c([C@H](C)[N+](=O)[O-])nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC001340878741 871404739 /nfs/dbraw/zinc/40/47/39/871404739.db2.gz QWFPXWOTZZRKTA-STQMWFEESA-N 1 0 324.429 1.804 20 5 DDBDRO C[C@@H]1[NH2+]C[C@H](C)N(C(=O)CN(C)c2ccccc2[N+](=O)[O-])[C@H]1C ZINC001341027335 871474403 /nfs/dbraw/zinc/47/44/03/871474403.db2.gz HTSJEZOJTFEXRF-AVGNSLFASA-N 1 0 320.393 1.628 20 5 DDBDRO CC(C)C[C@H](C[NH3+])NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC001341041224 871476897 /nfs/dbraw/zinc/47/68/97/871476897.db2.gz SJAKRMHIFKGELV-SNVBAGLBSA-N 1 0 323.349 1.469 20 5 DDBDRO COc1cc(C[NH2+][C@@H](CO)CC2CCC2)c([N+](=O)[O-])cc1O ZINC001308414097 871497107 /nfs/dbraw/zinc/49/71/07/871497107.db2.gz KECJVWPHPPVPKD-GFCCVEGCSA-N 1 0 310.350 1.950 20 5 DDBDRO C[C@@H](NC(=O)[C@]12C[NH2+]C[C@H]1CCOC2)c1ccc([N+](=O)[O-])cc1 ZINC001341110071 871509987 /nfs/dbraw/zinc/50/99/87/871509987.db2.gz VQVDMMBLSWXDNA-KFNAQCHYSA-N 1 0 319.361 1.398 20 5 DDBDRO O=C(CCc1cc(F)ccc1[N+](=O)[O-])N[C@]12CCC[C@H]1C[NH2+]C2 ZINC001341676930 871770130 /nfs/dbraw/zinc/77/01/30/871770130.db2.gz ZBMONXFYYQRQLT-LRDDRELGSA-N 1 0 321.352 1.925 20 5 DDBDRO C[C@H](C[N+](C)(C)C)Oc1ncnc2n[nH]c(Br)c21 ZINC001226667634 882575538 /nfs/dbraw/zinc/57/55/38/882575538.db2.gz BHXWDWOPAALPSM-SSDOTTSWSA-N 1 0 315.195 1.589 20 5 DDBDRO COc1cccc(C(=O)N2CC[C@@H](C[NH3+])[C@@H](C)C2)c1[N+](=O)[O-] ZINC001342646950 872314394 /nfs/dbraw/zinc/31/43/94/872314394.db2.gz WEPSXZULCBIVBK-QWRGUYRKSA-N 1 0 307.350 1.660 20 5 DDBDRO C[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC001343485358 872644310 /nfs/dbraw/zinc/64/43/10/872644310.db2.gz DAPQYMXOOBAOHM-WAZAZEMKSA-N 1 0 303.362 1.955 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc2ccc(=O)oc2c1 ZINC001226909161 882715286 /nfs/dbraw/zinc/71/52/86/882715286.db2.gz WERSWGHPBXSHMN-GFCCVEGCSA-N 1 0 306.338 1.156 20 5 DDBDRO COC1CCN(CC[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001346265024 873676397 /nfs/dbraw/zinc/67/63/97/873676397.db2.gz SAVZIGNOIOZKGU-MRXNPFEDSA-N 1 0 323.393 1.329 20 5 DDBDRO C[C@H](C(=O)OCc1cn(C)nc1[N+](=O)[O-])[N@H+]1[C@H](C)CC[C@@H]1C ZINC001349972671 875483278 /nfs/dbraw/zinc/48/32/78/875483278.db2.gz WZADWBDAQNETCY-OUAUKWLOSA-N 1 0 310.354 1.633 20 5 DDBDRO C[C@H]1CN(C(=O)c2c[nH]nc2[N+](=O)[O-])CC[N@@H+]1C1CCCC1 ZINC001352968521 877044829 /nfs/dbraw/zinc/04/48/29/877044829.db2.gz FUUSLODMHSUCAA-JTQLQIEISA-N 1 0 307.354 1.407 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC001353174050 877161524 /nfs/dbraw/zinc/16/15/24/877161524.db2.gz HIQGBUQLOMLDKH-HNNXBMFYSA-N 1 0 321.381 1.092 20 5 DDBDRO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1O[C@@H]1CCC[NH2+]C1 ZINC001218279907 877442367 /nfs/dbraw/zinc/44/23/67/877442367.db2.gz VAFNEEMNMCDTSX-SNVBAGLBSA-N 1 0 300.336 1.129 20 5 DDBDRO Cc1c(CNC(=O)[C@]23C[NH2+]C[C@H]2CCOC3)cccc1[N+](=O)[O-] ZINC001353748886 877529760 /nfs/dbraw/zinc/52/97/60/877529760.db2.gz JVTFQUXNNBKQSD-CJNGLKHVSA-N 1 0 319.361 1.146 20 5 DDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)NC1(C2CC[NH2+]CC2)CC1 ZINC001355462770 878567331 /nfs/dbraw/zinc/56/73/31/878567331.db2.gz AKBUOSFVEMURDT-UHFFFAOYSA-N 1 0 303.362 1.786 20 5 DDBDRO C[C@@H]([NH3+])[C@H]1CN(C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC001356532340 879091788 /nfs/dbraw/zinc/09/17/88/879091788.db2.gz JMIVGQNUJOKIOU-UHIISALHSA-N 1 0 322.365 1.413 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1CO[C@H]1C[C@@H]2CC(=O)C[C@H]1[N@@H+]2C ZINC001223943265 881156852 /nfs/dbraw/zinc/15/68/52/881156852.db2.gz KOBMOMQBNOBZLL-BJJXKVORSA-N 1 0 320.345 1.924 20 5 DDBDRO C[C@@H](OC(=O)C[C@@H](O)C[N+](C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC001224023682 881184649 /nfs/dbraw/zinc/18/46/49/881184649.db2.gz GYDDURQMWDAAOU-BXUZGUMPSA-N 1 0 311.358 1.656 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cnccc1C(F)(F)F ZINC001227706876 883140828 /nfs/dbraw/zinc/14/08/28/883140828.db2.gz LNXXBIGKJYALDL-SECBINFHSA-N 1 0 307.292 1.463 20 5 DDBDRO C[N@@H+]1CC[C@@H](Oc2cc(Br)cnc2[N+](=O)[O-])C1 ZINC001229562772 884049738 /nfs/dbraw/zinc/04/97/38/884049738.db2.gz IDAAMETVTURVOD-MRVPVSSYSA-N 1 0 302.128 1.835 20 5 DDBDRO COc1ncc(OC(=O)C[C@@H](O)C[N+](C)(C)C)cc1Cl ZINC001234042253 887586541 /nfs/dbraw/zinc/58/65/41/887586541.db2.gz FFVGJJIDEIILRI-SECBINFHSA-N 1 0 303.766 1.106 20 5 DDBDRO CC[NH+]1CCC(Oc2nc(NC(C)=O)nc(C)c2[N+](=O)[O-])CC1 ZINC001234912409 888245641 /nfs/dbraw/zinc/24/56/41/888245641.db2.gz UETFBGKOYWAGPE-UHFFFAOYSA-N 1 0 323.353 1.515 20 5 DDBDRO N[C@]12C[C@H]1C[N@@H+](C1CCN(c3ccc([N+](=O)[O-])cc3)CC1)C2 ZINC001246870272 892961647 /nfs/dbraw/zinc/96/16/47/892961647.db2.gz OGZWMFNJWQTFMJ-LRDDRELGSA-N 1 0 302.378 1.597 20 5 DDBDRO COC(=O)[C@@H]1C[C@@H]([NH3+])CN1[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001246903700 892979605 /nfs/dbraw/zinc/97/96/05/892979605.db2.gz KSRGJXOBTOSQII-SUHUHFCYSA-N 1 0 307.350 1.100 20 5 DDBDRO O=C1C[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CO1 ZINC001254466687 896453137 /nfs/dbraw/zinc/45/31/37/896453137.db2.gz LTLLIDDBMXIBPA-GFCCVEGCSA-N 1 0 305.334 1.469 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3CC[C@@H](CO)C3)CC2)cc1 ZINC001254479294 896457035 /nfs/dbraw/zinc/45/70/35/896457035.db2.gz WVTMAJSJBWWWSU-CYBMUJFWSA-N 1 0 305.378 1.878 20 5 DDBDRO COC(=O)CCC(=O)C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254538495 896494289 /nfs/dbraw/zinc/49/42/89/896494289.db2.gz WFJUHNBAXBCEII-LLVKDONJSA-N 1 0 308.334 1.638 20 5 DDBDRO CSCC[C@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])C(N)=O ZINC001254549480 896498652 /nfs/dbraw/zinc/49/86/52/896498652.db2.gz WYOHUVVWYQFNKZ-JQWIXIFHSA-N 1 0 311.407 1.722 20 5 DDBDRO CCOC(=O)C[C@@H]1CCC[N@@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC001262013464 899895906 /nfs/dbraw/zinc/89/59/06/899895906.db2.gz CVEFZZHVHQHGSJ-LBPRGKRZSA-N 1 0 310.354 1.517 20 5 DDBDRO C[C@@H](c1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1C)[N+](=O)[O-] ZINC001262863423 900400115 /nfs/dbraw/zinc/40/01/15/900400115.db2.gz FANFEPPHYWVPFI-LBPRGKRZSA-N 1 0 324.429 1.711 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)NCC[C@@H]2C[NH2+]C[C@H]2C)c1 ZINC001263188174 900526964 /nfs/dbraw/zinc/52/69/64/900526964.db2.gz JIGLXMWKDBOMIP-GHMZBOCLSA-N 1 0 307.350 1.579 20 5 DDBDRO CC(C)=CC(=O)N(CCO)CC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001279648012 903371833 /nfs/dbraw/zinc/37/18/33/903371833.db2.gz OIABKBCWCPWNOS-UHFFFAOYSA-N 1 0 321.377 1.472 20 5 DDBDRO Cc1c(CNC(=O)C[N@@H+](C)[C@@H]2CCC[C@H]2O)cccc1[N+](=O)[O-] ZINC001296421003 916402427 /nfs/dbraw/zinc/40/24/27/916402427.db2.gz PTDQZPDSWZMSPJ-HUUCEWRRSA-N 1 0 321.377 1.365 20 5 DDBDRO Cc1cc(N2CC[N@H+](C3CCOCC3)C[C@H]2C)ncc1[N+](=O)[O-] ZINC000278277167 214062848 /nfs/dbraw/zinc/06/28/48/214062848.db2.gz BHRYIJBITJOIGZ-CYBMUJFWSA-N 1 0 320.393 1.988 20 5 DDBDRO C[NH+](C)CCCOC1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000267220525 282087711 /nfs/dbraw/zinc/08/77/11/282087711.db2.gz SMGOKHISUTVZCA-UHFFFAOYSA-N 1 0 308.382 1.927 20 5 DDBDRO C[C@H]([NH2+][C@@H](CO)[C@@H]1CCCO1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000447920123 230507340 /nfs/dbraw/zinc/50/73/40/230507340.db2.gz GTNKNGKYGQVAOI-BPNCWPANSA-N 1 0 323.349 1.051 20 5 DDBDRO CCc1n[nH]c(C(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)c1[N+](=O)[O-] ZINC000278453614 214162357 /nfs/dbraw/zinc/16/23/57/214162357.db2.gz RDBVZNBEWGGPDU-MWLCHTKSSA-N 1 0 307.354 1.047 20 5 DDBDRO CO[C@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H]1C ZINC000451578513 231129906 /nfs/dbraw/zinc/12/99/06/231129906.db2.gz XKIGOQXZHCKPGW-HZMBPMFUSA-N 1 0 307.350 1.551 20 5 DDBDRO COC(=O)[C@@H](C)C[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083173249 185215686 /nfs/dbraw/zinc/21/56/86/185215686.db2.gz SUXVVMBZZPBTLA-VIFPVBQESA-N 1 0 307.306 1.977 20 5 DDBDRO CCC(CC)[N@H+](CCOC)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090525706 282184114 /nfs/dbraw/zinc/18/41/14/282184114.db2.gz OVSDLOUHPWRYTM-UHFFFAOYSA-N 1 0 311.382 1.894 20 5 DDBDRO O=C(Cc1ccccc1[N+](=O)[O-])NC[C@@H]1CCC[N@H+]1CCCO ZINC000452345771 231354527 /nfs/dbraw/zinc/35/45/27/231354527.db2.gz FTSXFBRLCFOOHM-AWEZNQCLSA-N 1 0 321.377 1.100 20 5 DDBDRO COC(=O)N1CC([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000181464638 199300443 /nfs/dbraw/zinc/30/04/43/199300443.db2.gz ZOIGPDPBIOYHFO-AWEZNQCLSA-N 1 0 319.361 1.956 20 5 DDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H](C)[C@H]([NH3+])C1 ZINC000447247123 529730816 /nfs/dbraw/zinc/73/08/16/529730816.db2.gz IHLHYYHOZPMMFB-JOYOIKCWSA-N 1 0 313.379 1.125 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CC[NH+](C2CC2)CC1 ZINC000181593972 199323966 /nfs/dbraw/zinc/32/39/66/199323966.db2.gz KFPTZLYKXZNTDX-AWEZNQCLSA-N 1 0 321.377 1.115 20 5 DDBDRO COC[C@@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000181579321 199321157 /nfs/dbraw/zinc/32/11/57/199321157.db2.gz RZXDPEUMVWNFFJ-UKRRQHHQSA-N 1 0 310.350 1.349 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000294959706 529785814 /nfs/dbraw/zinc/78/58/14/529785814.db2.gz WMILPWYYRKNQPS-GFCCVEGCSA-N 1 0 320.393 1.923 20 5 DDBDRO Cc1ccc(S(=O)(=O)N[C@@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000286697848 219114550 /nfs/dbraw/zinc/11/45/50/219114550.db2.gz MDMAPNNCKQWSFO-JTQLQIEISA-N 1 0 301.368 1.132 20 5 DDBDRO C[NH2+]C[C@H](C)CNC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000418361082 529995163 /nfs/dbraw/zinc/99/51/63/529995163.db2.gz ACTUOIAMCYATJD-LBPRGKRZSA-N 1 0 308.382 1.634 20 5 DDBDRO C[NH2+][C@@H]1CCCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000417224338 530043619 /nfs/dbraw/zinc/04/36/19/530043619.db2.gz HZPDVFMBCNKGQO-CYBMUJFWSA-N 1 0 306.366 1.531 20 5 DDBDRO C[NH2+][C@@H]1CCCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000414660682 530044414 /nfs/dbraw/zinc/04/44/14/530044414.db2.gz WALCUFJQRUSNKQ-SNVBAGLBSA-N 1 0 308.338 1.819 20 5 DDBDRO Cc1cc(NC(=O)c2c([N+](=O)[O-])cnn2C)ccc1C[NH+](C)C ZINC000458285916 232327675 /nfs/dbraw/zinc/32/76/75/232327675.db2.gz ONDDFMDQCYESQA-UHFFFAOYSA-N 1 0 317.349 1.951 20 5 DDBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC1CC[NH+](C)CC1 ZINC000286808351 219176270 /nfs/dbraw/zinc/17/62/70/219176270.db2.gz WNSGVLQIMSXMMG-UHFFFAOYSA-N 1 0 320.393 1.873 20 5 DDBDRO C[C@@H](O)C[C@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000279671845 215050585 /nfs/dbraw/zinc/05/05/85/215050585.db2.gz DLYXIGJOPYGWIV-CHWSQXEVSA-N 1 0 309.366 1.382 20 5 DDBDRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000487515346 233812424 /nfs/dbraw/zinc/81/24/24/233812424.db2.gz KHQTVVDCKUSRLE-WCQYABFASA-N 1 0 321.381 1.153 20 5 DDBDRO CC[NH+]1CCN(CCNc2ccc(C(C)=O)cc2[N+](=O)[O-])CC1 ZINC000029587290 352241847 /nfs/dbraw/zinc/24/18/47/352241847.db2.gz DMBXPSWJCUSJCH-UHFFFAOYSA-N 1 0 320.393 1.847 20 5 DDBDRO CC[NH+](CC)[C@H](C)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000032073281 352275282 /nfs/dbraw/zinc/27/52/82/352275282.db2.gz DGUOEQAAYMIKNL-LLVKDONJSA-N 1 0 315.395 1.603 20 5 DDBDRO CC[NH+](CC)[C@H](C)CNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000041925856 352318717 /nfs/dbraw/zinc/31/87/17/352318717.db2.gz UKJCGXVXUDFHNX-GFCCVEGCSA-N 1 0 309.366 1.820 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000033085302 352288610 /nfs/dbraw/zinc/28/86/10/352288610.db2.gz NAHPTJFBIBBWAP-UHFFFAOYSA-N 1 0 316.361 1.925 20 5 DDBDRO CN(C)C(=O)CC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000046502522 352455042 /nfs/dbraw/zinc/45/50/42/352455042.db2.gz LOSDOVUBQVBRCS-UHFFFAOYSA-N 1 0 306.366 1.195 20 5 DDBDRO CC(C)(C)[N@@H+]1CCCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000063722336 352921073 /nfs/dbraw/zinc/92/10/73/352921073.db2.gz UKHFZUSCKORFRR-UHFFFAOYSA-N 1 0 309.370 1.124 20 5 DDBDRO CCC[NH+]1CCC(NC(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000061030915 352883705 /nfs/dbraw/zinc/88/37/05/352883705.db2.gz HSQGHFWHLQAYSD-UHFFFAOYSA-N 1 0 321.377 1.964 20 5 DDBDRO CC[NH+]1CCC(CCNC(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000174130500 198295436 /nfs/dbraw/zinc/29/54/36/198295436.db2.gz MWSGXOZAIYFRKC-UHFFFAOYSA-N 1 0 309.370 1.030 20 5 DDBDRO C[C@@H]1CCC[N@H+](CCCCNc2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000076795579 353438723 /nfs/dbraw/zinc/43/87/23/353438723.db2.gz WEFVZGCJHSKCQN-LLVKDONJSA-N 1 0 308.386 1.891 20 5 DDBDRO Cc1cc(N2CCC(C[NH+]3CCOCC3)CC2)ncc1[N+](=O)[O-] ZINC000080598620 353617352 /nfs/dbraw/zinc/61/73/52/353617352.db2.gz ZQIGVGRTPVESTD-UHFFFAOYSA-N 1 0 320.393 1.847 20 5 DDBDRO C[NH+](C)[C@@H](CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-])C1CC1 ZINC000091481656 353828224 /nfs/dbraw/zinc/82/82/24/353828224.db2.gz FTXSYKKHBVIHGQ-AWEZNQCLSA-N 1 0 317.349 1.583 20 5 DDBDRO COC(=O)CC1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000090519085 353794594 /nfs/dbraw/zinc/79/45/94/353794594.db2.gz SNPCISGDSCXOOT-UHFFFAOYSA-N 1 0 323.349 1.032 20 5 DDBDRO Cc1cc([N+](=O)[O-])cnc1NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000092642215 353865117 /nfs/dbraw/zinc/86/51/17/353865117.db2.gz DJZBAPDACFDISL-GFCCVEGCSA-N 1 0 321.381 1.298 20 5 DDBDRO CC(C)(C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)n1cc([N+](=O)[O-])cn1 ZINC000102487495 353926187 /nfs/dbraw/zinc/92/61/87/353926187.db2.gz IXKCERWYBJYYAH-NSHDSACASA-N 1 0 321.381 1.127 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000125157866 354043951 /nfs/dbraw/zinc/04/39/51/354043951.db2.gz DBYPIYSMVTVBOM-MNOVXSKESA-N 1 0 313.379 1.451 20 5 DDBDRO CC[N@H+](CCO)CCNC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000617765322 363298148 /nfs/dbraw/zinc/29/81/48/363298148.db2.gz WDGNUOTXPCNLQC-GFCCVEGCSA-N 1 0 309.366 1.129 20 5 DDBDRO O=C(NCC[NH2+]C1CC1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000151544154 354184663 /nfs/dbraw/zinc/18/46/63/354184663.db2.gz LSLIIMDVYZZORP-UHFFFAOYSA-N 1 0 315.333 1.262 20 5 DDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)C[C@@H](O)C1CC1 ZINC000305729961 354471212 /nfs/dbraw/zinc/47/12/12/354471212.db2.gz KFAPPIXVFAAEFK-QMTHXVAHSA-N 1 0 307.350 1.625 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+](CCO)Cc1ccccc1 ZINC000309543141 354473147 /nfs/dbraw/zinc/47/31/47/354473147.db2.gz NDSLESPXSKKVEF-UHFFFAOYSA-N 1 0 304.350 1.594 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H]2CCc3ccccc3C2)c1 ZINC000321121502 354530865 /nfs/dbraw/zinc/53/08/65/354530865.db2.gz QGBONIXFCPISBI-ZBFHGGJFSA-N 1 0 316.361 1.299 20 5 DDBDRO COc1cc(NC[C@H]2C[N@H+](C)CCN2C)c([N+](=O)[O-])cc1C ZINC000320040907 354524916 /nfs/dbraw/zinc/52/49/16/354524916.db2.gz CNRKKNFNISJMAG-LBPRGKRZSA-N 1 0 308.382 1.570 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000584768288 354762515 /nfs/dbraw/zinc/76/25/15/354762515.db2.gz MNUYVJJXBFTKBS-LBPRGKRZSA-N 1 0 321.381 1.318 20 5 DDBDRO C[C@]1(CO)CCC[C@H]1[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000493652095 234890467 /nfs/dbraw/zinc/89/04/67/234890467.db2.gz FBDDAMUYLBAPMB-DAXOMENPSA-N 1 0 324.377 1.475 20 5 DDBDRO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000585814967 354852712 /nfs/dbraw/zinc/85/27/12/354852712.db2.gz NXZDGRCEYQNEED-STQMWFEESA-N 1 0 323.397 1.013 20 5 DDBDRO Nc1cc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc(CO)c1[N+](=O)[O-] ZINC000587309780 354881904 /nfs/dbraw/zinc/88/19/04/354881904.db2.gz QUGNMBCJONQTNA-YPMHNXCESA-N 1 0 306.366 1.708 20 5 DDBDRO CCc1ccc(C(=O)N[C@@H](CO)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000588867149 354944449 /nfs/dbraw/zinc/94/44/49/354944449.db2.gz KFWSZGFSNNZQKH-CQSZACIVSA-N 1 0 321.377 1.344 20 5 DDBDRO CC(C)[C@@H](CO)C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000588928613 354949304 /nfs/dbraw/zinc/94/93/04/354949304.db2.gz ZOMCXEWGYGIPQX-GFCCVEGCSA-N 1 0 310.350 1.720 20 5 DDBDRO C[NH+](C)C[C@@H](CO)Nc1ncc(Br)cc1[N+](=O)[O-] ZINC000589102066 354959483 /nfs/dbraw/zinc/95/94/83/354959483.db2.gz YCBLIQGVLVXAQK-QMMMGPOBSA-N 1 0 319.159 1.087 20 5 DDBDRO CNC(=O)[C@@H](C)C[N@H+](C)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589501665 354996929 /nfs/dbraw/zinc/99/69/29/354996929.db2.gz VPWQHTGZJGGUED-JTQLQIEISA-N 1 0 323.349 1.195 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@H]2CCO)c1 ZINC000589515070 354999116 /nfs/dbraw/zinc/99/91/16/354999116.db2.gz UVFMXQRKXNBBAP-ZDUSSCGKSA-N 1 0 308.334 1.728 20 5 DDBDRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000590566436 355114926 /nfs/dbraw/zinc/11/49/26/355114926.db2.gz IKSCRGYKJZFMSZ-WCQYABFASA-N 1 0 306.366 1.558 20 5 DDBDRO COc1cc(C(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000590442691 355096775 /nfs/dbraw/zinc/09/67/75/355096775.db2.gz ACHHCXYGGZBWPW-AAEUAGOBSA-N 1 0 305.334 1.380 20 5 DDBDRO C[N@@H+]1C[C@H]2CCN(C(=O)c3cc4c(c([N+](=O)[O-])c3)OCO4)[C@H]2C1 ZINC000590445623 355098719 /nfs/dbraw/zinc/09/87/19/355098719.db2.gz QZZRWDQHDMEHRP-SKDRFNHKSA-N 1 0 319.317 1.100 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](O)[C@H]1C ZINC000590759166 355168498 /nfs/dbraw/zinc/16/84/98/355168498.db2.gz ZPFWRVHBWHLIPB-RISCZKNCSA-N 1 0 307.350 1.687 20 5 DDBDRO C[N@H+](CCCCNc1cc(N)c([N+](=O)[O-])c(CO)c1)C1CC1 ZINC000591166369 355258310 /nfs/dbraw/zinc/25/83/10/355258310.db2.gz FUYFZWUIYUTVFG-UHFFFAOYSA-N 1 0 308.382 1.956 20 5 DDBDRO COc1ccc(OCCN2CC[C@@H]3CC[NH2+][C@H]3C2)c([N+](=O)[O-])c1 ZINC000591449334 355314353 /nfs/dbraw/zinc/31/43/53/355314353.db2.gz VNQANHSUAVVROG-JSGCOSHPSA-N 1 0 321.377 1.666 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CCc2nccs2)c1 ZINC000591728753 355373233 /nfs/dbraw/zinc/37/32/33/355373233.db2.gz CHFQGSISFWPOTE-GFCCVEGCSA-N 1 0 323.374 1.623 20 5 DDBDRO C[C@H](C[C@H]1CCOC1)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000591753903 355377364 /nfs/dbraw/zinc/37/73/64/355377364.db2.gz OMMWRTMBOZIBIW-UMVBOHGHSA-N 1 0 324.377 1.739 20 5 DDBDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000591682056 355361232 /nfs/dbraw/zinc/36/12/32/355361232.db2.gz SQPCHFWGONVZBX-GHMZBOCLSA-N 1 0 314.345 1.952 20 5 DDBDRO COc1ccc(NC(=O)[C@@H]2C[NH2+]CCC2(F)F)cc1[N+](=O)[O-] ZINC000591686575 355362660 /nfs/dbraw/zinc/36/26/60/355362660.db2.gz ZUTGRJXDMFYQQB-VIFPVBQESA-N 1 0 315.276 1.787 20 5 DDBDRO Cc1nc(N2CCOC3(CC[NH+](C)CC3)C2)ccc1[N+](=O)[O-] ZINC000591990795 355455252 /nfs/dbraw/zinc/45/52/52/355455252.db2.gz CUMKWHAEKYMKIX-UHFFFAOYSA-N 1 0 306.366 1.599 20 5 DDBDRO COc1cc(N2CCOC3(CC[NH+](C)CC3)C2)ccc1[N+](=O)[O-] ZINC000591990836 355455371 /nfs/dbraw/zinc/45/53/71/355455371.db2.gz DWVVSLBYKWNHAY-UHFFFAOYSA-N 1 0 321.377 1.904 20 5 DDBDRO Cc1cnc(N2CCOC3(CC[NH+](C)CC3)C2)c([N+](=O)[O-])c1 ZINC000591991624 355455946 /nfs/dbraw/zinc/45/59/46/355455946.db2.gz KBCPTDAGMSBSSR-UHFFFAOYSA-N 1 0 306.366 1.599 20 5 DDBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000592217244 355542580 /nfs/dbraw/zinc/54/25/80/355542580.db2.gz CWIXFPNMXWESHD-MNOVXSKESA-N 1 0 306.366 1.788 20 5 DDBDRO C[C@H]([NH3+])[C@@H]1CN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000592306639 355556287 /nfs/dbraw/zinc/55/62/87/355556287.db2.gz DLCQCRFUARTWSV-FZMZJTMJSA-N 1 0 321.377 1.447 20 5 DDBDRO Cc1ccccc1C1([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000592139336 355510062 /nfs/dbraw/zinc/51/00/62/355510062.db2.gz AIQKZJIHJJRXBQ-CQSZACIVSA-N 1 0 316.361 1.740 20 5 DDBDRO C[C@H]1CC2(C[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O)CCOCC2 ZINC000592184686 355528481 /nfs/dbraw/zinc/52/84/81/355528481.db2.gz SGBIOHBLPJDEMG-ZDUSSCGKSA-N 1 0 321.377 1.648 20 5 DDBDRO O=C(CC[NH2+]C[C@H]1CC[C@@H](O)C1)Nc1ccccc1[N+](=O)[O-] ZINC000592431328 355582018 /nfs/dbraw/zinc/58/20/18/355582018.db2.gz FONLQKUPBFJXGD-NWDGAFQWSA-N 1 0 307.350 1.674 20 5 DDBDRO COC(=O)[C@H]1C[NH2+]CCCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000592433437 355582791 /nfs/dbraw/zinc/58/27/91/355582791.db2.gz FPXLSGDBTDFNOZ-CYBMUJFWSA-N 1 0 311.313 1.071 20 5 DDBDRO COC(=O)[C@H]1C[NH2+]CCCN1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000592435276 355583906 /nfs/dbraw/zinc/58/39/06/355583906.db2.gz SFIHUCMJWXLWNN-IJVDHGTGSA-N 1 0 319.361 1.445 20 5 DDBDRO O=C(NC[C@@H]1CCCC[NH2+]1)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000592440785 355585256 /nfs/dbraw/zinc/58/52/56/355585256.db2.gz XFMYJOHLEGYASI-JTQLQIEISA-N 1 0 302.334 1.948 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000592477272 355593779 /nfs/dbraw/zinc/59/37/79/355593779.db2.gz USYKNYLEFWWDRN-MFKMUULPSA-N 1 0 323.349 1.182 20 5 DDBDRO CC[C@@H]1CN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000592486186 355596148 /nfs/dbraw/zinc/59/61/48/355596148.db2.gz YOUIANVAXQASEI-JMSVASOKSA-N 1 0 320.393 1.981 20 5 DDBDRO COC(=O)[C@H]1C[NH2+]CCCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000592489375 355598479 /nfs/dbraw/zinc/59/84/79/355598479.db2.gz RQDKADKEEQJXAX-CYBMUJFWSA-N 1 0 311.313 1.071 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1CN1CN(CC[NH+](C)C)C(=O)[C@H]1C ZINC000592524518 355611975 /nfs/dbraw/zinc/61/19/75/355611975.db2.gz YGUYREBACCKMKQ-CYBMUJFWSA-N 1 0 320.393 1.455 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000592428633 355580065 /nfs/dbraw/zinc/58/00/65/355580065.db2.gz JQPOTQULWKLUMS-IAQYHMDHSA-N 1 0 309.366 1.542 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592555244 355627215 /nfs/dbraw/zinc/62/72/15/355627215.db2.gz PIFGXLSEXYWLSL-OLZOCXBDSA-N 1 0 320.393 1.785 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[NH2+]C3(CCC3)C2)n1 ZINC000592567975 355631970 /nfs/dbraw/zinc/63/19/70/355631970.db2.gz HGLZYUKGPVBFTC-SNVBAGLBSA-N 1 0 307.354 1.216 20 5 DDBDRO Nc1c(C(=O)N[C@@H]2CC[NH2+]C3(CCC3)C2)cccc1[N+](=O)[O-] ZINC000592568570 355632472 /nfs/dbraw/zinc/63/24/72/355632472.db2.gz MUFNOSOVAZXLJO-SNVBAGLBSA-N 1 0 304.350 1.582 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000592570506 355632488 /nfs/dbraw/zinc/63/24/88/355632488.db2.gz LVGVPDUBFGYSRI-CYBMUJFWSA-N 1 0 304.350 1.703 20 5 DDBDRO CCCN(C(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-])[C@@H]1CC[N@H+](C)C1 ZINC000592829333 355705928 /nfs/dbraw/zinc/70/59/28/355705928.db2.gz NXKHYASARCWTQN-LLVKDONJSA-N 1 0 323.397 1.998 20 5 DDBDRO CCC[C@H](C)[C@H](CO)[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000593050199 355780629 /nfs/dbraw/zinc/78/06/29/355780629.db2.gz CUJBHKRQUCRSGD-GWCFXTLKSA-N 1 0 309.366 1.580 20 5 DDBDRO C[NH+]1CCC(CNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000593443995 355886929 /nfs/dbraw/zinc/88/69/29/355886929.db2.gz QBMSBXSEFLUALK-UHFFFAOYSA-N 1 0 309.341 1.734 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)CC[NH+]1CCCCC1 ZINC000593884622 356040646 /nfs/dbraw/zinc/04/06/46/356040646.db2.gz UHVHBLDWRDWBJJ-UHFFFAOYSA-N 1 0 306.366 1.856 20 5 DDBDRO [NH3+][C@@H]1CCC[C@H]1CC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000593906614 356052228 /nfs/dbraw/zinc/05/22/28/356052228.db2.gz KFGHKWASUGCHGU-WCQYABFASA-N 1 0 321.381 1.472 20 5 DDBDRO COc1ccc(CC(=O)NCCC2(C[NH3+])CC2)cc1[N+](=O)[O-] ZINC000593915028 356057396 /nfs/dbraw/zinc/05/73/96/356057396.db2.gz UHVCIEYFFKAQKN-UHFFFAOYSA-N 1 0 307.350 1.391 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NCc1ccc(C[NH3+])cc1F ZINC000593915305 356057900 /nfs/dbraw/zinc/05/79/00/356057900.db2.gz IJXWFNNSWNZFDM-UHFFFAOYSA-N 1 0 321.312 1.014 20 5 DDBDRO COc1cc(C(=O)N[C@@H](C[NH3+])C(F)(F)F)cc([N+](=O)[O-])c1C ZINC000594451109 356221917 /nfs/dbraw/zinc/22/19/17/356221917.db2.gz JHHVFNIKGRZIOJ-JTQLQIEISA-N 1 0 321.255 1.531 20 5 DDBDRO O=C(NCCNc1ccc([N+](=O)[O-])cc1)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000594425980 356207220 /nfs/dbraw/zinc/20/72/20/356207220.db2.gz NRVYPKBXYRVQHF-GDBMZVCRSA-N 1 0 318.377 1.513 20 5 DDBDRO O=C(NCCNc1ccccc1[N+](=O)[O-])[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000594426876 356208209 /nfs/dbraw/zinc/20/82/09/356208209.db2.gz STNOMQYJZKIDGO-LRDDRELGSA-N 1 0 318.377 1.513 20 5 DDBDRO CCC(C)(C)[NH+]1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000594594038 356259117 /nfs/dbraw/zinc/25/91/17/356259117.db2.gz IWYBNEFJQUTESJ-UHFFFAOYSA-N 1 0 318.381 1.948 20 5 DDBDRO C[C@@H]1CCC[C@H](C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)O1 ZINC000594733044 356300520 /nfs/dbraw/zinc/30/05/20/356300520.db2.gz PRGWMIFCSHNSBT-IVMMDQJWSA-N 1 0 324.377 1.882 20 5 DDBDRO C[N@@H+]1CC[C@H]2OCCN(c3ncc([N+](=O)[O-])cc3Cl)[C@@H]2C1 ZINC000284571803 283158549 /nfs/dbraw/zinc/15/85/49/283158549.db2.gz OKWSUCKTVFRBON-VXGBXAGGSA-N 1 0 312.757 1.553 20 5 DDBDRO O=C(Cn1cc([N+](=O)[O-])cn1)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000595226585 356411593 /nfs/dbraw/zinc/41/15/93/356411593.db2.gz VBTOHPNPLAAYII-JSGCOSHPSA-N 1 0 321.381 1.172 20 5 DDBDRO O=C(Cn1ccc([N+](=O)[O-])n1)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000595225856 356411656 /nfs/dbraw/zinc/41/16/56/356411656.db2.gz PAZUJKZDGKNOJK-STQMWFEESA-N 1 0 321.381 1.172 20 5 DDBDRO [NH3+]C[C@H]1Cc2ccccc2N(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000601336125 358504498 /nfs/dbraw/zinc/50/44/98/358504498.db2.gz XMNCBNBKFDBQKB-GFCCVEGCSA-N 1 0 301.350 1.429 20 5 DDBDRO C[C@H](O)C[N@@H+]1CCN(Cc2ccc(F)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000595446562 356496460 /nfs/dbraw/zinc/49/64/60/356496460.db2.gz MDDYBXVNNXUSEW-RYUDHWBXSA-N 1 0 311.357 1.621 20 5 DDBDRO CO[C@@H](C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)[C@@H]1CCOC1 ZINC000595479129 356509913 /nfs/dbraw/zinc/50/99/13/356509913.db2.gz COYKCNZOALZEOX-OCCSQVGLSA-N 1 0 324.381 1.480 20 5 DDBDRO COCC1(C)CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000358766146 299246792 /nfs/dbraw/zinc/24/67/92/299246792.db2.gz GZUSHONHEZBKTQ-UHFFFAOYSA-N 1 0 309.366 1.505 20 5 DDBDRO CO[C@]1(CO)CCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000595663088 356598073 /nfs/dbraw/zinc/59/80/73/356598073.db2.gz QXDWVMWWJTWTOY-MRXNPFEDSA-N 1 0 324.377 1.837 20 5 DDBDRO CC[NH2+]CCNC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000236927792 202075239 /nfs/dbraw/zinc/07/52/39/202075239.db2.gz NVBMCEFNEWQIJP-SECBINFHSA-N 1 0 315.757 1.741 20 5 DDBDRO CC[NH2+]CCNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000237017492 202123139 /nfs/dbraw/zinc/12/31/39/202123139.db2.gz BXVHFBMQWMGXNN-UHFFFAOYSA-N 1 0 307.759 1.136 20 5 DDBDRO COc1ccc(OCC[N@@H+]2C[C@H]3COC[C@]3(C)C2)c([N+](=O)[O-])c1 ZINC000595762096 356641764 /nfs/dbraw/zinc/64/17/64/356641764.db2.gz ZXPOWZPUZRFGGD-LRDDRELGSA-N 1 0 322.361 1.951 20 5 DDBDRO CN(CC(C)(C)[NH3+])C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000595949198 356719358 /nfs/dbraw/zinc/71/93/58/356719358.db2.gz ZAYAOQMOHQLZEN-UHFFFAOYSA-N 1 0 309.322 1.175 20 5 DDBDRO COC(=O)c1cc(NC(=O)[C@@H]([NH3+])C(C)(C)C)cc([N+](=O)[O-])c1 ZINC000237142387 202165067 /nfs/dbraw/zinc/16/50/67/202165067.db2.gz ROWCDDWHPVZTAD-LLVKDONJSA-N 1 0 309.322 1.693 20 5 DDBDRO CCCN1CC[C@@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000596066134 356759382 /nfs/dbraw/zinc/75/93/82/356759382.db2.gz PLQUGNHAFRHSRE-UKRRQHHQSA-N 1 0 323.393 1.408 20 5 DDBDRO CC[C@@H](CNc1ccc([N+](=O)[O-])c(C(N)=O)c1)[NH+]1CCCC1 ZINC000596074319 356762584 /nfs/dbraw/zinc/76/25/84/356762584.db2.gz QUMXMOFNNVMQCJ-LBPRGKRZSA-N 1 0 306.366 1.980 20 5 DDBDRO CC[NH+](CC)CCO[C@H]1CCN(c2ccc(N)c([N+](=O)[O-])n2)C1 ZINC000596153807 356793476 /nfs/dbraw/zinc/79/34/76/356793476.db2.gz XEMMLHMWUMEJJW-LBPRGKRZSA-N 1 0 323.397 1.509 20 5 DDBDRO CN(CC1C[NH+](C)C1)c1ncc(Br)cc1[N+](=O)[O-] ZINC000596452873 356883843 /nfs/dbraw/zinc/88/38/43/356883843.db2.gz HIKVRRMTUSJCKM-UHFFFAOYSA-N 1 0 315.171 1.750 20 5 DDBDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596308691 356852560 /nfs/dbraw/zinc/85/25/60/356852560.db2.gz KWWSHGQXBROTPH-LLVKDONJSA-N 1 0 306.366 1.978 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1NCC1CC[NH+](C2CCOCC2)CC1 ZINC000596314840 356855045 /nfs/dbraw/zinc/85/50/45/356855045.db2.gz SNSIZIRIOPXKMP-UHFFFAOYSA-N 1 0 323.397 1.631 20 5 DDBDRO C[NH2+]C[C@@H](C)N[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000596655013 356943391 /nfs/dbraw/zinc/94/33/91/356943391.db2.gz PKKJDMVYRKUIEP-BXUZGUMPSA-N 1 0 303.366 1.615 20 5 DDBDRO COc1cc(OCC(=O)NC[C@@H]2CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000237226453 202195488 /nfs/dbraw/zinc/19/54/88/202195488.db2.gz MYYLOACAXBWMAA-LLVKDONJSA-N 1 0 323.349 1.098 20 5 DDBDRO CC(C)C[NH+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000178150857 198823050 /nfs/dbraw/zinc/82/30/50/198823050.db2.gz UBIPRDSHLGRPCM-UHFFFAOYSA-N 1 0 306.366 1.591 20 5 DDBDRO C[C@H]1C[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@@]1(C)CO ZINC000597237040 357106004 /nfs/dbraw/zinc/10/60/04/357106004.db2.gz VZCDNDMKWCXXHT-ZBEGNZNMSA-N 1 0 322.361 1.816 20 5 DDBDRO Cc1nn(C)c(C(=O)NCC(C)(C)C[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000276851037 213133005 /nfs/dbraw/zinc/13/30/05/213133005.db2.gz KVERXGHFEMTPQH-UHFFFAOYSA-N 1 0 323.397 1.489 20 5 DDBDRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000597921919 357382961 /nfs/dbraw/zinc/38/29/61/357382961.db2.gz HVDYSPYKVXYHEZ-SNVBAGLBSA-N 1 0 306.366 1.780 20 5 DDBDRO COc1cc(C(=O)NCC[C@@H](C)[NH+](C)C)c([N+](=O)[O-])cc1F ZINC000597992018 357408184 /nfs/dbraw/zinc/40/81/84/357408184.db2.gz IMFRZEINAIIULS-SECBINFHSA-N 1 0 313.329 1.813 20 5 DDBDRO CCN(C(=O)COc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@H+](CC)C1 ZINC000598041440 357439574 /nfs/dbraw/zinc/43/95/74/357439574.db2.gz LWTAZKRMNMRNSJ-CQSZACIVSA-N 1 0 321.377 1.916 20 5 DDBDRO CN(CC1C[NH+](C)C1)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000598162951 357479039 /nfs/dbraw/zinc/47/90/39/357479039.db2.gz LHJOPYURQDOSIT-UHFFFAOYSA-N 1 0 318.377 1.803 20 5 DDBDRO CCC[N@@H+]1CC[C@H](NC(=O)CN(C)c2ccccc2[N+](=O)[O-])C1 ZINC000598343408 357546054 /nfs/dbraw/zinc/54/60/54/357546054.db2.gz ULIMWFNLZVIXGB-ZDUSSCGKSA-N 1 0 320.393 1.632 20 5 DDBDRO CC[C@@H]1CN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000598530938 357622629 /nfs/dbraw/zinc/62/26/29/357622629.db2.gz AFRVALUZYSJMPY-GXFFZTMASA-N 1 0 309.341 1.875 20 5 DDBDRO [NH3+][C@]12CCC[C@H]1CN(C(=O)CCOc1ccccc1[N+](=O)[O-])C2 ZINC000598669364 357678085 /nfs/dbraw/zinc/67/80/85/357678085.db2.gz IMOSMSFYSUGIOJ-LRDDRELGSA-N 1 0 319.361 1.704 20 5 DDBDRO COc1cc(C(=O)N2CCC([C@H](C)[NH3+])CC2)ccc1[N+](=O)[O-] ZINC000178832576 198938660 /nfs/dbraw/zinc/93/86/60/198938660.db2.gz YNHWQZMSRAKDEW-JTQLQIEISA-N 1 0 307.350 1.803 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)N2CC[NH2+][C@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000598569233 357635208 /nfs/dbraw/zinc/63/52/08/357635208.db2.gz BZBAGIBJHCTSKN-JTQLQIEISA-N 1 0 309.370 1.511 20 5 DDBDRO [NH3+][C@@]12CCC[C@@H]1CN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C2 ZINC000598682139 357685341 /nfs/dbraw/zinc/68/53/41/357685341.db2.gz MDEPJIBVZRUTRE-MLGOLLRUSA-N 1 0 318.377 1.737 20 5 DDBDRO CCC[NH2+]CCNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C ZINC000598715341 357701701 /nfs/dbraw/zinc/70/17/01/357701701.db2.gz ORKATDMBGOBUDQ-UHFFFAOYSA-N 1 0 315.395 1.490 20 5 DDBDRO Cc1ccc(S(=O)(=O)N2CCC([NH3+])CC2)c(C)c1[N+](=O)[O-] ZINC000598717133 357702605 /nfs/dbraw/zinc/70/26/05/357702605.db2.gz XWOKHSTYPNUVHL-UHFFFAOYSA-N 1 0 313.379 1.323 20 5 DDBDRO CCc1nn(C)c(N2CCc3[nH+]ccc(N)c3C2)c1[N+](=O)[O-] ZINC000598942245 357767954 /nfs/dbraw/zinc/76/79/54/357767954.db2.gz JQGQQASMFNBUHE-UHFFFAOYSA-N 1 0 302.338 1.431 20 5 DDBDRO CC(C)c1ccc(C[NH2+]CCN2CC[C@H](O)C2)cc1[N+](=O)[O-] ZINC000599018452 357795432 /nfs/dbraw/zinc/79/54/32/357795432.db2.gz INQOIJXUVVBFKY-AWEZNQCLSA-N 1 0 307.394 1.874 20 5 DDBDRO CN(C)C(=O)NCCNc1ccc2cnccc2c1[N+](=O)[O-] ZINC000599063609 357805840 /nfs/dbraw/zinc/80/58/40/357805840.db2.gz DUDSWTQEYBGAKN-UHFFFAOYSA-N 1 0 303.322 1.826 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000599102389 357816165 /nfs/dbraw/zinc/81/61/65/357816165.db2.gz FBQUFBQXGMKNDA-MNOVXSKESA-N 1 0 313.379 1.322 20 5 DDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CC[NH2+]C23CCC3)s1 ZINC000599106859 357817635 /nfs/dbraw/zinc/81/76/35/357817635.db2.gz JTSZMJCXCGCSMA-MRVPVSSYSA-N 1 0 317.392 1.219 20 5 DDBDRO CC(C)(CNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)C[NH+]1CCCC1 ZINC000276762563 213092880 /nfs/dbraw/zinc/09/28/80/213092880.db2.gz MMDRQCMULVPCNC-UHFFFAOYSA-N 1 0 322.365 1.547 20 5 DDBDRO CCOC(=O)c1ccnc(N2C[C@@H](C)[NH2+][C@@H](CC)C2)c1[N+](=O)[O-] ZINC000599182061 357841857 /nfs/dbraw/zinc/84/18/57/357841857.db2.gz XWGMLNGZVKBYIC-MNOVXSKESA-N 1 0 322.365 1.743 20 5 DDBDRO C[N@H+](CC1(C)COC1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000599571973 357979776 /nfs/dbraw/zinc/97/97/76/357979776.db2.gz ZADGJMCMQQVYHR-CQSZACIVSA-N 1 0 319.361 1.668 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@@H]3CC[C@@H](O)[C@@H]32)c1 ZINC000599684413 358024199 /nfs/dbraw/zinc/02/41/99/358024199.db2.gz OHTUIGMTBHQWEP-COLVAYQJSA-N 1 0 320.345 1.727 20 5 DDBDRO Cc1ccc([C@@H](C)NC(=O)NCCOCCC[NH3+])cc1[N+](=O)[O-] ZINC000599921372 358081357 /nfs/dbraw/zinc/08/13/57/358081357.db2.gz RIADOGRJFBUHRD-GFCCVEGCSA-N 1 0 324.381 1.629 20 5 DDBDRO C[C@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000599991125 358098048 /nfs/dbraw/zinc/09/80/48/358098048.db2.gz ANXFFXONNWUKEA-BSLXNSKLSA-N 1 0 303.362 1.717 20 5 DDBDRO CN(CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C)c1ccccc1[N+](=O)[O-] ZINC000599999551 358100439 /nfs/dbraw/zinc/10/04/39/358100439.db2.gz FGFCOVUYURDVBM-ATCWAGBWSA-N 1 0 318.377 1.049 20 5 DDBDRO C[C@@H]([NH2+]CCNC(=O)c1ccn[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000180215084 199131292 /nfs/dbraw/zinc/13/12/92/199131292.db2.gz NSGOTGYFKYGGLE-SNVBAGLBSA-N 1 0 303.322 1.399 20 5 DDBDRO COc1ccc(OCCN2CC[NH2+]C[C@H]2C(C)C)c([N+](=O)[O-])c1 ZINC000600714062 358292234 /nfs/dbraw/zinc/29/22/34/358292234.db2.gz OTNXVJWNTUTSKA-HNNXBMFYSA-N 1 0 323.393 1.912 20 5 DDBDRO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NCC[NH+]1CCCC1 ZINC000601099819 358401770 /nfs/dbraw/zinc/40/17/70/358401770.db2.gz APPIBQFAXZECHI-UHFFFAOYSA-N 1 0 307.276 1.855 20 5 DDBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000181176493 199260830 /nfs/dbraw/zinc/26/08/30/199260830.db2.gz LCAMYKUFQREMCD-LLVKDONJSA-N 1 0 324.381 1.264 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CC(Cc3cccs3)C2)c1 ZINC000601964842 358756002 /nfs/dbraw/zinc/75/60/02/358756002.db2.gz QCMPBLKZHKFSTQ-ZDUSSCGKSA-N 1 0 322.390 1.388 20 5 DDBDRO C[C@@](O)(C[C@H](O)C[NH2+]CCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000601964613 358756017 /nfs/dbraw/zinc/75/60/17/358756017.db2.gz JGKZOVOTVCSMMP-GOEBONIOSA-N 1 0 308.378 1.639 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@H]3CCCOC3)CC2)cn1 ZINC000602518845 359023103 /nfs/dbraw/zinc/02/31/03/359023103.db2.gz QZBYYPREAXEXBX-CYBMUJFWSA-N 1 0 320.393 1.975 20 5 DDBDRO CO[C@@H](CN(CC[NH3+])c1ccccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000602659883 359107194 /nfs/dbraw/zinc/10/71/94/359107194.db2.gz VAMVYPSEFQKRRY-DOMZBBRYSA-N 1 0 309.366 1.411 20 5 DDBDRO COC(=O)[C@H]1CCCC[C@]1(C)[NH2+]CCn1c(C)ncc1[N+](=O)[O-] ZINC000602794212 359196096 /nfs/dbraw/zinc/19/60/96/359196096.db2.gz IGYXTCLCGHBYJY-DOMZBBRYSA-N 1 0 324.381 1.811 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](CCO)c1ccccc1F ZINC000602852268 359238706 /nfs/dbraw/zinc/23/87/06/359238706.db2.gz ORHNIAQDCSAZNA-AWEZNQCLSA-N 1 0 322.340 1.952 20 5 DDBDRO CC(=O)NC1CCC([N@H+](C)CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000602804097 359203035 /nfs/dbraw/zinc/20/30/35/359203035.db2.gz HYOVDCKKDVUVTJ-UHFFFAOYSA-N 1 0 323.397 1.479 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000602813828 359209069 /nfs/dbraw/zinc/20/90/69/359209069.db2.gz ZXYVGOVKTLVXIL-CQSZACIVSA-N 1 0 308.382 1.991 20 5 DDBDRO CC[N@H+]1[C@H](C)CN(C(=O)CCn2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000603142351 359431481 /nfs/dbraw/zinc/43/14/81/359431481.db2.gz JQTKZYNRNGIDCI-TXEJJXNPSA-N 1 0 309.370 1.123 20 5 DDBDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000186848872 200022154 /nfs/dbraw/zinc/02/21/54/200022154.db2.gz UCLIUAABAZTJSR-VXGBXAGGSA-N 1 0 306.366 1.145 20 5 DDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000276309833 212792898 /nfs/dbraw/zinc/79/28/98/212792898.db2.gz OFYNUDMOKQMMHB-KBPBESRZSA-N 1 0 304.350 1.534 20 5 DDBDRO CNC(=O)c1ccc(N[C@@H]2CCC[C@H]2[NH+](C)C)c([N+](=O)[O-])c1 ZINC000603406628 359621481 /nfs/dbraw/zinc/62/14/81/359621481.db2.gz MZBYZYNSCPFMGW-DGCLKSJQSA-N 1 0 306.366 1.849 20 5 DDBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@]1(CCO)CCOC1 ZINC000579375918 422759129 /nfs/dbraw/zinc/75/91/29/422759129.db2.gz BDIXKEUFSNVROA-ZBFHGGJFSA-N 1 0 306.362 1.961 20 5 DDBDRO C[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C[C@@H]1CCCO1 ZINC000187810929 200160066 /nfs/dbraw/zinc/16/00/66/200160066.db2.gz KIHBIMCPHWAUKI-HIFRSBDPSA-N 1 0 310.350 1.445 20 5 DDBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3C[C@@H](O)C[C@H]3CO)o2)cc1 ZINC000187664225 200141362 /nfs/dbraw/zinc/14/13/62/200141362.db2.gz STXIZYIYLVVILL-KBPBESRZSA-N 1 0 318.329 1.782 20 5 DDBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]C[C@@H]1CCCOC1)OCCO2 ZINC000604532806 359761907 /nfs/dbraw/zinc/76/19/07/359761907.db2.gz KZJMPMDGGHNLDH-NSHDSACASA-N 1 0 308.334 1.882 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])c(=O)n(CCC[NH+]2CCCC2)c1 ZINC000188297165 200223256 /nfs/dbraw/zinc/22/32/56/200223256.db2.gz OTWSSQDIJUUNOY-UHFFFAOYSA-N 1 0 309.322 1.029 20 5 DDBDRO O=C(CCC1CC[NH2+]CC1)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000237956043 202403501 /nfs/dbraw/zinc/40/35/01/202403501.db2.gz YQWRZRRRYDNAST-UHFFFAOYSA-N 1 0 320.393 1.903 20 5 DDBDRO O=C(COc1cccc([N+](=O)[O-])c1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000609382553 360303008 /nfs/dbraw/zinc/30/30/08/360303008.db2.gz BZOAUEGMORXJOI-ZDUSSCGKSA-N 1 0 319.361 1.574 20 5 DDBDRO Cc1nn(C)c(NCC2([NH+]3CCCC3)CCOCC2)c1[N+](=O)[O-] ZINC000609193033 360270939 /nfs/dbraw/zinc/27/09/39/360270939.db2.gz YOXRNWGLMWOPLH-UHFFFAOYSA-N 1 0 323.397 1.694 20 5 DDBDRO O=[N+]([O-])c1cccc(F)c1CN1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000609572569 360326002 /nfs/dbraw/zinc/32/60/02/360326002.db2.gz FEGWCYYWDUTHFJ-CVEARBPZSA-N 1 0 323.368 1.765 20 5 DDBDRO CN(CCCC[NH+](C)C)C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000610111776 360383072 /nfs/dbraw/zinc/38/30/72/360383072.db2.gz CZYBBCUFPGMWSB-UHFFFAOYSA-N 1 0 309.366 1.774 20 5 DDBDRO CC(C)([NH2+]CCn1cc([N+](=O)[O-])cn1)C(=O)Nc1ccccc1 ZINC000610844511 360551350 /nfs/dbraw/zinc/55/13/50/360551350.db2.gz UEDCHGLDQVCTMX-UHFFFAOYSA-N 1 0 317.349 1.798 20 5 DDBDRO CC[N@@H+]1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000611092538 360620779 /nfs/dbraw/zinc/62/07/79/360620779.db2.gz YCXOVAUXQWYFGX-LBPRGKRZSA-N 1 0 306.366 1.559 20 5 DDBDRO C[N@@H+]1CCC[C@H](NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC000611195855 360656724 /nfs/dbraw/zinc/65/67/24/360656724.db2.gz YXFPSHHEEFAWTN-JTQLQIEISA-N 1 0 302.334 1.900 20 5 DDBDRO Nc1cc(N2CC[NH+](CC3CC3)CC2)cc(CO)c1[N+](=O)[O-] ZINC000611525452 360747045 /nfs/dbraw/zinc/74/70/45/360747045.db2.gz CUPMUZTVEIHABN-UHFFFAOYSA-N 1 0 306.366 1.201 20 5 DDBDRO C[C@@H]([NH3+])[C@H](C)NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000420450060 296026536 /nfs/dbraw/zinc/02/65/36/296026536.db2.gz XZMJJAJLIZMBDC-RQJHMYQMSA-N 1 0 307.759 1.262 20 5 DDBDRO [NH3+][C@H]1CCc2nc(NC(=O)c3ccc([N+](=O)[O-])[nH]3)sc2C1 ZINC000261675417 283641742 /nfs/dbraw/zinc/64/17/42/283641742.db2.gz LXHGWULICVKEMQ-LURJTMIESA-N 1 0 307.335 1.448 20 5 DDBDRO O=[N+]([O-])c1ccccc1OCCN1CCOC[C@]12CCOC2 ZINC000193723048 201111405 /nfs/dbraw/zinc/11/14/05/201111405.db2.gz UQOBLLRSSMZPCS-OAHLLOKOSA-N 1 0 308.334 1.465 20 5 DDBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000195326879 201378466 /nfs/dbraw/zinc/37/84/66/201378466.db2.gz UEOCNYZSSCMWGM-ZDUSSCGKSA-N 1 0 321.402 1.994 20 5 DDBDRO C[C@@H]([NH2+]CCCN1CCC[C@H]1C(N)=O)c1cccc([N+](=O)[O-])c1 ZINC000266820967 296123574 /nfs/dbraw/zinc/12/35/74/296123574.db2.gz ZDLAJTJCQAGOIE-DOMZBBRYSA-N 1 0 320.393 1.585 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000261649152 203087938 /nfs/dbraw/zinc/08/79/38/203087938.db2.gz FPDLWFGRLMSYBO-CQSZACIVSA-N 1 0 318.377 1.023 20 5 DDBDRO COCC1(CNC(=O)Cc2ccc([N+](=O)[O-])cc2)CC[NH2+]CC1 ZINC000261898667 203146773 /nfs/dbraw/zinc/14/67/73/203146773.db2.gz ONVOIFKPCKFXLP-UHFFFAOYSA-N 1 0 321.377 1.270 20 5 DDBDRO Cc1c(C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)cccc1[N+](=O)[O-] ZINC000261899986 203147883 /nfs/dbraw/zinc/14/78/83/203147883.db2.gz OSTOCKIYSFLFHE-CYBMUJFWSA-N 1 0 318.377 1.023 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000261953574 203160655 /nfs/dbraw/zinc/16/06/55/203160655.db2.gz WUILXNAGXRZOER-AWEZNQCLSA-N 1 0 318.377 1.023 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)NCC[C@@H]1CC[NH2+]C1 ZINC000262586970 203341865 /nfs/dbraw/zinc/34/18/65/203341865.db2.gz PETUOMHORJQXRJ-JTQLQIEISA-N 1 0 311.313 1.229 20 5 DDBDRO COc1ccc(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000264672160 204069209 /nfs/dbraw/zinc/06/92/09/204069209.db2.gz WWZKVJYWOFZCLG-NSHDSACASA-N 1 0 319.361 1.818 20 5 DDBDRO C[NH+](C)CCCCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000264874750 204228661 /nfs/dbraw/zinc/22/86/61/204228661.db2.gz HCNGPEHBXIFFML-UHFFFAOYSA-N 1 0 323.349 1.438 20 5 DDBDRO COC(=O)c1cc(C(=O)NCCCC[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000264897370 204249481 /nfs/dbraw/zinc/24/94/81/204249481.db2.gz KVFVGHXJIYLBGH-UHFFFAOYSA-N 1 0 323.349 1.453 20 5 DDBDRO CC(C)C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CC(N)=O ZINC000282685232 217175728 /nfs/dbraw/zinc/17/57/28/217175728.db2.gz NSTFAKWRKRZKIM-UHFFFAOYSA-N 1 0 322.365 1.367 20 5 DDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCn2ccnc2)n1 ZINC000351491441 284340993 /nfs/dbraw/zinc/34/09/93/284340993.db2.gz GXAHMTHUUKQDLM-CHWSQXEVSA-N 1 0 304.354 1.761 20 5 DDBDRO COc1ccccc1C[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266406676 205323709 /nfs/dbraw/zinc/32/37/09/205323709.db2.gz FXJNJFMBGAIFIZ-CQSZACIVSA-N 1 0 320.349 1.293 20 5 DDBDRO CCc1n[nH]c(C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000288490007 220175090 /nfs/dbraw/zinc/17/50/90/220175090.db2.gz ROIRPQDEJWBKOD-MNOVXSKESA-N 1 0 321.381 1.579 20 5 DDBDRO CCOc1cc(NCCN2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000336851945 249257169 /nfs/dbraw/zinc/25/71/69/249257169.db2.gz GPROQLSURSERRE-UHFFFAOYSA-N 1 0 308.382 1.653 20 5 DDBDRO CCCN(CC[NH+](C)C)C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000104530871 194014412 /nfs/dbraw/zinc/01/44/12/194014412.db2.gz RBOUUDOFKUVSJO-UHFFFAOYSA-N 1 0 309.366 1.774 20 5 DDBDRO CN(C[C@H]1CC[N@H+](C)C1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000104747481 194034008 /nfs/dbraw/zinc/03/40/08/194034008.db2.gz SZGLRKYDHLVHDU-NSHDSACASA-N 1 0 313.379 1.167 20 5 DDBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(C)cc([N+](=O)[O-])c1N ZINC000104831906 194044594 /nfs/dbraw/zinc/04/45/94/194044594.db2.gz LIDJXVVKQQSYNO-NSHDSACASA-N 1 0 306.366 1.700 20 5 DDBDRO C[NH+](C)C1(CNC(=O)c2cc([N+](=O)[O-])n[nH]2)CCCCCC1 ZINC000285048467 218269535 /nfs/dbraw/zinc/26/95/35/218269535.db2.gz QDXGIFPAHOWLBM-UHFFFAOYSA-N 1 0 309.370 1.702 20 5 DDBDRO C[C@@H]([NH2+]CC1(S(C)(=O)=O)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285140402 218306498 /nfs/dbraw/zinc/30/64/98/218306498.db2.gz LUPUZFQHWQQMLO-SECBINFHSA-N 1 0 313.379 1.405 20 5 DDBDRO CCCc1n[nH]c(C(=O)N[C@@H]2CCC[N@H+](CC)C2)c1[N+](=O)[O-] ZINC000109620155 194277858 /nfs/dbraw/zinc/27/78/58/194277858.db2.gz UPMFSWGECRFXRM-SNVBAGLBSA-N 1 0 309.370 1.485 20 5 DDBDRO Cc1n[nH]c(C(=O)N2CC[NH+](C3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000268999678 207155613 /nfs/dbraw/zinc/15/56/13/207155613.db2.gz UJVPTOPOFJQHKQ-UHFFFAOYSA-N 1 0 321.381 1.717 20 5 DDBDRO O=C(COc1ccccc1[N+](=O)[O-])NCCC[NH+]1CCCC1 ZINC000061547367 184174110 /nfs/dbraw/zinc/17/41/10/184174110.db2.gz CCMJCXOKSDMAOD-UHFFFAOYSA-N 1 0 307.350 1.576 20 5 DDBDRO O=C(NC1CC[NH2+]CC1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000269113040 207250633 /nfs/dbraw/zinc/25/06/33/207250633.db2.gz KXKUOKRFSVJGLN-UHFFFAOYSA-N 1 0 318.377 1.677 20 5 DDBDRO O=C(COc1ccccc1[N+](=O)[O-])N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000567672156 304232524 /nfs/dbraw/zinc/23/25/24/304232524.db2.gz IHSNMCGDYYBXPZ-INIZCTEOSA-N 1 0 319.361 1.576 20 5 DDBDRO C[N@H+](CCCNC(=O)c1[nH]ncc1[N+](=O)[O-])Cc1ccccc1 ZINC000159170416 197333244 /nfs/dbraw/zinc/33/32/44/197333244.db2.gz VHLVJAIBXNFLII-UHFFFAOYSA-N 1 0 317.349 1.570 20 5 DDBDRO CNc1nc(C(=O)NCC[NH+](C(C)C)C(C)C)ccc1[N+](=O)[O-] ZINC000454397885 533076408 /nfs/dbraw/zinc/07/64/08/533076408.db2.gz ZAGVNSCRVQJMSV-UHFFFAOYSA-N 1 0 323.397 1.880 20 5 DDBDRO O=C(N[C@H](CO)C[NH+]1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000288669905 220335876 /nfs/dbraw/zinc/33/58/76/220335876.db2.gz ZFCNQZIRMPSUQE-ZDUSSCGKSA-N 1 0 307.350 1.171 20 5 DDBDRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000156254269 197098897 /nfs/dbraw/zinc/09/88/97/197098897.db2.gz HSOCTKKPHPBHFF-VXGBXAGGSA-N 1 0 307.350 1.559 20 5 DDBDRO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CC[NH2+]1 ZINC000155064709 197018765 /nfs/dbraw/zinc/01/87/65/197018765.db2.gz LTZQTTCYJISGTA-LBPRGKRZSA-N 1 0 318.377 1.629 20 5 DDBDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2[nH]ncc2[N+](=O)[O-])C1 ZINC000154925230 197005942 /nfs/dbraw/zinc/00/59/42/197005942.db2.gz IYGCODNEPSMXDP-NSHDSACASA-N 1 0 323.397 1.948 20 5 DDBDRO C[NH+](C)CCN(c1nccc(C(N)=O)c1[N+](=O)[O-])C1CCCC1 ZINC000360076126 299589048 /nfs/dbraw/zinc/58/90/48/299589048.db2.gz WQAVHOCPMAMAFS-UHFFFAOYSA-N 1 0 321.381 1.399 20 5 DDBDRO C[C@H]1C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)CCC1(F)F ZINC000289664187 221138373 /nfs/dbraw/zinc/13/83/73/221138373.db2.gz FNCAMXUEVXLLEI-JTQLQIEISA-N 1 0 301.293 1.734 20 5 DDBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)Cn2ccnn2)cc1[N+](=O)[O-] ZINC000414178497 224309013 /nfs/dbraw/zinc/30/90/13/224309013.db2.gz KAWAWZJVGRTTIW-WCQYABFASA-N 1 0 305.338 1.206 20 5 DDBDRO C[C@H]1CCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)[C@H](C[NH3+])C1 ZINC000417236481 533609964 /nfs/dbraw/zinc/60/99/64/533609964.db2.gz ULPOHZBLPMLXQU-WFASDCNBSA-N 1 0 320.393 1.906 20 5 DDBDRO CCO[C@H]1C[C@@H]1[NH2+]Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000568588006 304299689 /nfs/dbraw/zinc/29/96/89/304299689.db2.gz FRRGOUAWZDBFKN-FZMZJTMJSA-N 1 0 324.333 1.414 20 5 DDBDRO CC[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000568646885 304303988 /nfs/dbraw/zinc/30/39/88/304303988.db2.gz KZWVLHYPJSESNW-LBPRGKRZSA-N 1 0 305.338 1.166 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2COCc3ccccc32)c1 ZINC000570626297 304417369 /nfs/dbraw/zinc/41/73/69/304417369.db2.gz FYDMNQLWBOJDDE-HIFRSBDPSA-N 1 0 318.333 1.013 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[NH2+]CC2)cc1C ZINC000021813433 406889323 /nfs/dbraw/zinc/88/93/23/406889323.db2.gz WCGDYSJHSRLSNY-UHFFFAOYSA-N 1 0 313.379 1.196 20 5 DDBDRO CO[C@@H]1CCC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000076345441 406964094 /nfs/dbraw/zinc/96/40/94/406964094.db2.gz NMZBZPAPDWCOTL-DZGCQCFKSA-N 1 0 310.350 1.445 20 5 DDBDRO COCCN(CC[NH+](C)C)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000078508370 407031399 /nfs/dbraw/zinc/03/13/99/407031399.db2.gz BVPBHQRPWSGVOZ-RMKNXTFCSA-N 1 0 321.377 1.645 20 5 DDBDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000053403975 407168671 /nfs/dbraw/zinc/16/86/71/407168671.db2.gz UYKFXYZSVLTIPU-GFCCVEGCSA-N 1 0 323.397 1.418 20 5 DDBDRO Cn1cc(C[NH2+]CCOCCO)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000067697501 407280507 /nfs/dbraw/zinc/28/05/07/407280507.db2.gz DFSINOXUWSWAEL-UHFFFAOYSA-N 1 0 320.349 1.094 20 5 DDBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000124500761 407359977 /nfs/dbraw/zinc/35/99/77/407359977.db2.gz YZFCDLXBUMBENU-CYBMUJFWSA-N 1 0 309.341 1.877 20 5 DDBDRO C[N@@H+]1CCC[C@@H]1CCN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000125223884 407382009 /nfs/dbraw/zinc/38/20/09/407382009.db2.gz IUDPJRCCILMRBC-UONOGXRCSA-N 1 0 319.409 1.960 20 5 DDBDRO CNC(=O)[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000111268394 407404335 /nfs/dbraw/zinc/40/43/35/407404335.db2.gz SRIISTRUSFWPRN-LLVKDONJSA-N 1 0 307.350 1.561 20 5 DDBDRO C[C@@H](C[S@](C)=O)[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000126468918 407413769 /nfs/dbraw/zinc/41/37/69/407413769.db2.gz LLGLWCJQYKMWLV-PRWKNARSSA-N 1 0 300.380 1.672 20 5 DDBDRO O=[N+]([O-])c1cc(CN2CC[NH+](C[C@H]3CCOC3)CC2)cs1 ZINC000178494923 407472348 /nfs/dbraw/zinc/47/23/48/407472348.db2.gz MJJIXVXEPSIWNF-GFCCVEGCSA-N 1 0 311.407 1.810 20 5 DDBDRO C[NH+](C)C1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000127986118 407485442 /nfs/dbraw/zinc/48/54/42/407485442.db2.gz PLPBRAIHPQNVFU-UHFFFAOYSA-N 1 0 306.366 1.220 20 5 DDBDRO C[NH+](C)C[C@@H]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000114199819 407552566 /nfs/dbraw/zinc/55/25/66/407552566.db2.gz RRUYMUSIOYQRSL-NSHDSACASA-N 1 0 306.366 1.077 20 5 DDBDRO C[C@H]1C[C@H](NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C[N@@H+]1C1CC1 ZINC000185820226 407510638 /nfs/dbraw/zinc/51/06/38/407510638.db2.gz QTDXWVQKRDJVPU-WPRPVWTQSA-N 1 0 306.322 1.050 20 5 DDBDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000170809393 407511831 /nfs/dbraw/zinc/51/18/31/407511831.db2.gz SQYLJKVUPSKUAM-GFCCVEGCSA-N 1 0 322.365 1.139 20 5 DDBDRO C[NH+](C)C[C@@H]1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000114148407 407545158 /nfs/dbraw/zinc/54/51/58/407545158.db2.gz ITIASNJQADYCOP-JTQLQIEISA-N 1 0 317.349 1.495 20 5 DDBDRO C[NH2+][C@H](C)Cc1noc(-c2n[nH]c3ccc([N+](=O)[O-])cc32)n1 ZINC000261749095 407601893 /nfs/dbraw/zinc/60/18/93/407601893.db2.gz LREXBCVUQUAUQW-SSDOTTSWSA-N 1 0 302.294 1.672 20 5 DDBDRO C[NH2+][C@H]1CCCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000261793626 407615894 /nfs/dbraw/zinc/61/58/94/407615894.db2.gz QRBZSMKWMXQBFU-ZDUSSCGKSA-N 1 0 306.366 1.607 20 5 DDBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C2(CO)CCOCC2)c1 ZINC000227213536 407629890 /nfs/dbraw/zinc/62/98/90/407629890.db2.gz QOTJRYKOLQZEJP-UHFFFAOYSA-N 1 0 300.742 1.879 20 5 DDBDRO C[NH2+]C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C1 ZINC000178979658 407679315 /nfs/dbraw/zinc/67/93/15/407679315.db2.gz WGMXJXPHSAORBI-LLVKDONJSA-N 1 0 306.366 1.342 20 5 DDBDRO CO[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(C)c2)[C@H](C[NH3+])C1 ZINC000262058974 407725604 /nfs/dbraw/zinc/72/56/04/407725604.db2.gz DTPZBJQSNHQNEV-STQMWFEESA-N 1 0 307.350 1.482 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000261900008 407661193 /nfs/dbraw/zinc/66/11/93/407661193.db2.gz OUAGZSDWIAVGGI-CYBMUJFWSA-N 1 0 318.377 1.023 20 5 DDBDRO COC(=O)[C@H]1CC12CC[NH+](CCn1ccc([N+](=O)[O-])n1)CC2 ZINC000267098760 407745970 /nfs/dbraw/zinc/74/59/70/407745970.db2.gz SRXHGUKFWSJMRP-LLVKDONJSA-N 1 0 308.338 1.066 20 5 DDBDRO COC(=O)[C@@H]1CCCC[C@@]1(C)[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000272036757 407748450 /nfs/dbraw/zinc/74/84/50/407748450.db2.gz NWKOEODDKDRIMA-SMDDNHRTSA-N 1 0 310.354 1.503 20 5 DDBDRO CC[C@@H]([NH3+])CN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000423472877 286864193 /nfs/dbraw/zinc/86/41/93/286864193.db2.gz QKDLOWJIUPBNEN-OCCSQVGLSA-N 1 0 303.366 1.745 20 5 DDBDRO CCc1n[nH]c(C(=O)NCC[N@H+](C)C2CCCC2)c1[N+](=O)[O-] ZINC000171809881 407771882 /nfs/dbraw/zinc/77/18/82/407771882.db2.gz QTQCYLXWQRNVGB-UHFFFAOYSA-N 1 0 309.370 1.485 20 5 DDBDRO C[C@@H](O)C[C@@H]1CCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000153191744 407773370 /nfs/dbraw/zinc/77/33/70/407773370.db2.gz WWPGNGLGERCYGL-MFKMUULPSA-N 1 0 307.350 1.429 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CCN(c3nc4sccn4c3[N+](=O)[O-])[C@H]2C1 ZINC000272209568 407818175 /nfs/dbraw/zinc/81/81/75/407818175.db2.gz PXRNYWMHVZGYGQ-ZJUUUORDSA-N 1 0 307.379 1.834 20 5 DDBDRO C[C@@]1(C(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC[NH2+]C1 ZINC000237566992 407829434 /nfs/dbraw/zinc/82/94/34/407829434.db2.gz QXRWROUEMSQDJN-IAQYHMDHSA-N 1 0 319.365 1.002 20 5 DDBDRO CC[NH2+][C@H](C)CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000262459193 407840233 /nfs/dbraw/zinc/84/02/33/407840233.db2.gz LXWFYZPKWVJPRH-MRVPVSSYSA-N 1 0 321.786 1.525 20 5 DDBDRO O=C(CNc1ccccc1[N+](=O)[O-])NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000237988338 407864008 /nfs/dbraw/zinc/86/40/08/407864008.db2.gz PLNDSXZNPFCDGL-FOSCPWQOSA-N 1 0 304.350 1.406 20 5 DDBDRO Cc1c(CC(=O)N[C@H](C)[C@@H]2CN(C)CCO2)cccc1[N+](=O)[O-] ZINC000133796536 407872628 /nfs/dbraw/zinc/87/26/28/407872628.db2.gz ZJVYPMFOOOKJHT-DOMZBBRYSA-N 1 0 321.377 1.281 20 5 DDBDRO [NH3+]C[C@H]1CCCN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000238050026 407878818 /nfs/dbraw/zinc/87/88/18/407878818.db2.gz KCKKLJATNXLKFE-CYBMUJFWSA-N 1 0 318.377 1.758 20 5 DDBDRO O=C(NCC[NH2+]C1CC1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000238110860 407889573 /nfs/dbraw/zinc/88/95/73/407889573.db2.gz RXVNERLOUYRUID-UHFFFAOYSA-N 1 0 315.333 1.262 20 5 DDBDRO CC(C)C[NH+]1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000180604971 407903941 /nfs/dbraw/zinc/90/39/41/407903941.db2.gz UNGNVLDPQAZIAQ-UHFFFAOYSA-N 1 0 306.366 1.591 20 5 DDBDRO CCC[C@@](C)([NH3+])C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000262720944 407911021 /nfs/dbraw/zinc/91/10/21/407911021.db2.gz ZOXFJDXJUBNQLO-XHDPSFHLSA-N 1 0 321.381 1.520 20 5 DDBDRO O=C(CN1CC[C@H]2[NH2+]CC[C@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000262480787 407844206 /nfs/dbraw/zinc/84/42/06/407844206.db2.gz JXSWEWJANCDZDF-NWDGAFQWSA-N 1 0 304.350 1.217 20 5 DDBDRO CC[NH2+][C@H](C)CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000262499895 407850595 /nfs/dbraw/zinc/85/05/95/407850595.db2.gz XYIBFKOVOYIGDX-LLVKDONJSA-N 1 0 317.349 1.508 20 5 DDBDRO CCN(CCn1cc([N+](=O)[O-])ccc1=O)C[C@@H](O)C(F)(F)F ZINC000189476139 408029683 /nfs/dbraw/zinc/02/96/83/408029683.db2.gz BUADHIKBPRBBMN-SNVBAGLBSA-N 1 0 323.271 1.002 20 5 DDBDRO CCCc1n[nH]c(C(=O)N(CCC)CC[NH+](C)C)c1[N+](=O)[O-] ZINC000154414949 408033506 /nfs/dbraw/zinc/03/35/06/408033506.db2.gz QFHGWUZIZICPIY-UHFFFAOYSA-N 1 0 311.386 1.684 20 5 DDBDRO NC(=O)[C@H]1CCCC[C@H]1[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000189454743 408022660 /nfs/dbraw/zinc/02/26/60/408022660.db2.gz CUALEYQIDVVIIV-BFHYXJOUSA-N 1 0 307.350 1.262 20 5 DDBDRO C[C@H]1CCC[C@H](CO)[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000136171010 408085516 /nfs/dbraw/zinc/08/55/16/408085516.db2.gz KNVDZKVPTDSYKV-CFVMTHIKSA-N 1 0 324.377 1.570 20 5 DDBDRO COCC[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccco1 ZINC000273222717 408114409 /nfs/dbraw/zinc/11/44/09/408114409.db2.gz DLOAQVXIOXOFFF-STQMWFEESA-N 1 0 324.337 1.113 20 5 DDBDRO CCC[N@H+](CC)CCNC(=O)c1cc(C)cc([N+](=O)[O-])c1N ZINC000175454083 408133757 /nfs/dbraw/zinc/13/37/57/408133757.db2.gz IHLHTXDICUVUHM-UHFFFAOYSA-N 1 0 308.382 1.947 20 5 DDBDRO C[NH+](C)CC(C)(C)CNC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000124507879 161837574 /nfs/dbraw/zinc/83/75/74/161837574.db2.gz KVXIDINQRVJQKM-UHFFFAOYSA-N 1 0 311.357 1.980 20 5 DDBDRO CCN1CCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1=O ZINC000190209239 408188087 /nfs/dbraw/zinc/18/80/87/408188087.db2.gz CVDBQCUJDOIRMO-AWEZNQCLSA-N 1 0 307.350 1.182 20 5 DDBDRO CCc1n[nH]c(C(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000175729275 408189472 /nfs/dbraw/zinc/18/94/72/408189472.db2.gz BYCCSKXKZZMPGR-BDAKNGLRSA-N 1 0 307.354 1.235 20 5 DDBDRO CC[NH+](CC)CCNC(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC000190209628 408191317 /nfs/dbraw/zinc/19/13/17/408191317.db2.gz QPQPEONQGVBUFW-UHFFFAOYSA-N 1 0 309.366 1.983 20 5 DDBDRO CCCC[C@H](C[NH3+])NS(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000150321515 408191963 /nfs/dbraw/zinc/19/19/63/408191963.db2.gz ZNKPZBUPRRXVHJ-LLVKDONJSA-N 1 0 315.395 1.699 20 5 DDBDRO C[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C[C@H]1CCC[C@H]1O ZINC000246425176 408251676 /nfs/dbraw/zinc/25/16/76/408251676.db2.gz IIQRPQSOFIXUDC-IVMMDQJWSA-N 1 0 324.377 1.427 20 5 DDBDRO Cc1c(C(=O)NC[C@H]([NH3+])C(C)C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000269303234 408258964 /nfs/dbraw/zinc/25/89/64/408258964.db2.gz YESCNIMMIRZYLP-NSHDSACASA-N 1 0 310.310 1.525 20 5 DDBDRO CCc1n[nH]c(C(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000263666831 408199159 /nfs/dbraw/zinc/19/91/59/408199159.db2.gz LCJKLHUCUXTDBR-MNOVXSKESA-N 1 0 323.397 1.731 20 5 DDBDRO COCC[N@H+](C)CCNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000263801187 408265097 /nfs/dbraw/zinc/26/50/97/408265097.db2.gz STCPGTSYFABXKM-UHFFFAOYSA-N 1 0 315.757 1.556 20 5 DDBDRO COc1ccc(OCC[N@H+](C)CCn2ccc([N+](=O)[O-])n2)cc1 ZINC000176195745 408307397 /nfs/dbraw/zinc/30/73/97/408307397.db2.gz QVWZSQPYKNTNCQ-UHFFFAOYSA-N 1 0 320.349 1.811 20 5 DDBDRO CC[C@@H](C)[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000264107097 408368113 /nfs/dbraw/zinc/36/81/13/408368113.db2.gz IOQNRHZNSKEPJL-LLVKDONJSA-N 1 0 315.395 1.603 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC3(C2)CCCCC3)c1 ZINC000173803693 162366459 /nfs/dbraw/zinc/36/64/59/162366459.db2.gz BUUVMMPNHJUKBP-AWEZNQCLSA-N 1 0 308.382 1.808 20 5 DDBDRO C[N@H+](CCNC(=O)Nc1ccncc1[N+](=O)[O-])C1CCCC1 ZINC000183582940 408447239 /nfs/dbraw/zinc/44/72/39/408447239.db2.gz FMZUZWLLAWCHDY-UHFFFAOYSA-N 1 0 307.354 1.986 20 5 DDBDRO Cc1c([C@H](C)[NH2+]CCn2cc([N+](=O)[O-])ccc2=O)cnn1C ZINC000183470505 408418940 /nfs/dbraw/zinc/41/89/40/408418940.db2.gz WOEZTRXRGSRXDP-JTQLQIEISA-N 1 0 305.338 1.149 20 5 DDBDRO COCCC[N@H+](C)CCNC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000183569953 408441844 /nfs/dbraw/zinc/44/18/44/408441844.db2.gz GLEJFVNLDVQJMQ-UHFFFAOYSA-N 1 0 311.342 1.080 20 5 DDBDRO Cc1cc(NC(=O)NC[C@@H]2C[N@@H+](C)CCN2C)ccc1[N+](=O)[O-] ZINC000274861409 408557583 /nfs/dbraw/zinc/55/75/83/408557583.db2.gz ZDQBSRZCUHXKPS-CYBMUJFWSA-N 1 0 321.381 1.271 20 5 DDBDRO COC[C@@](C)(CCO)[NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000184234037 408576731 /nfs/dbraw/zinc/57/67/31/408576731.db2.gz XAFRAIQAIFVHCT-CQSZACIVSA-N 1 0 316.329 1.620 20 5 DDBDRO Cc1ccc(C[NH+](C)C)cc1NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000177355483 408586500 /nfs/dbraw/zinc/58/65/00/408586500.db2.gz IGMQHFLEPVLTAN-UHFFFAOYSA-N 1 0 317.349 1.800 20 5 DDBDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000160874135 408534423 /nfs/dbraw/zinc/53/44/23/408534423.db2.gz AOMQAEYXTOARRG-RKDXNWHRSA-N 1 0 303.322 1.471 20 5 DDBDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000270763342 408671595 /nfs/dbraw/zinc/67/15/95/408671595.db2.gz NHDQNSUDHZQBON-LLVKDONJSA-N 1 0 323.397 1.569 20 5 DDBDRO CN(C1CC[NH+](C)CC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000192687574 408632899 /nfs/dbraw/zinc/63/28/99/408632899.db2.gz VPLZEDWGMMIYDM-UHFFFAOYSA-N 1 0 313.379 1.310 20 5 DDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C[C@@H](C)[C@@H]([NH+](C)C)C1 ZINC000270697579 408640926 /nfs/dbraw/zinc/64/09/26/408640926.db2.gz ZHLLTUYMEROURY-JMSVASOKSA-N 1 0 320.393 1.804 20 5 DDBDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000161979143 408657896 /nfs/dbraw/zinc/65/78/96/408657896.db2.gz UEKXWSFNNVYELS-CYBMUJFWSA-N 1 0 323.397 1.562 20 5 DDBDRO O=[N+]([O-])c1cc(C[N@@H+](CCO)C2CCC2)c2c(c1)COCO2 ZINC000275912896 408716194 /nfs/dbraw/zinc/71/61/94/408716194.db2.gz XPSXLRDRRMELEG-UHFFFAOYSA-N 1 0 308.334 1.808 20 5 DDBDRO COCc1cc([N+](=O)[O-])ccc1N1CC[NH+](C[C@@H](C)O)CC1 ZINC000275804159 408683569 /nfs/dbraw/zinc/68/35/69/408683569.db2.gz KRKJZHSPNNCZOV-GFCCVEGCSA-N 1 0 309.366 1.244 20 5 DDBDRO O=C(C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)N1CCOCC1 ZINC000193071935 408689021 /nfs/dbraw/zinc/68/90/21/408689021.db2.gz NUFYEDVKJVRXCW-OAHLLOKOSA-N 1 0 319.361 1.421 20 5 DDBDRO CC[C@@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@H]1O ZINC000270839071 408702483 /nfs/dbraw/zinc/70/24/83/408702483.db2.gz DUBCZFTUOQZMBS-IUODEOHRSA-N 1 0 321.377 1.935 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCCC[C@H]2CCO)c1 ZINC000250046720 408774046 /nfs/dbraw/zinc/77/40/46/408774046.db2.gz CXIGFPVFGCSJGP-DZGCQCFKSA-N 1 0 324.377 1.571 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000250945557 408779679 /nfs/dbraw/zinc/77/96/79/408779679.db2.gz BPBNUZPXEYORQG-KBPBESRZSA-N 1 0 319.361 1.496 20 5 DDBDRO C[NH+](C)[C@H]1CCC[C@H](Nc2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000290831997 408840122 /nfs/dbraw/zinc/84/01/22/408840122.db2.gz UTFYDLCFZGUVBO-UWVGGRQHSA-N 1 0 307.354 1.373 20 5 DDBDRO C[C@@H](NC(=O)c1cc([N+](=O)[O-])n[nH]1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000285746211 408855539 /nfs/dbraw/zinc/85/55/39/408855539.db2.gz HJXCSRZJABAVCB-MNOVXSKESA-N 1 0 321.381 1.701 20 5 DDBDRO Cc1cc(C(=O)N2CCO[C@H]3CC[N@@H+](C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000285780973 408863164 /nfs/dbraw/zinc/86/31/64/408863164.db2.gz NAVAKFBQSMKVFV-GJZGRUSLSA-N 1 0 319.361 1.448 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H]1CCOC[C@@H]1C ZINC000277410505 408935616 /nfs/dbraw/zinc/93/56/16/408935616.db2.gz JOPXCAYRUKQIMQ-AAEUAGOBSA-N 1 0 307.350 1.856 20 5 DDBDRO CCCC[C@@H]([NH3+])C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000236720354 163359871 /nfs/dbraw/zinc/35/98/71/163359871.db2.gz RABHPYKTJISMTQ-OAHLLOKOSA-N 1 0 320.393 1.761 20 5 DDBDRO O=C(NCCC[NH2+]Cc1cccnc1)c1cccc([N+](=O)[O-])c1 ZINC000238048551 163396545 /nfs/dbraw/zinc/39/65/45/163396545.db2.gz ZSFPRIVMVACJKD-UHFFFAOYSA-N 1 0 314.345 1.900 20 5 DDBDRO O=C(NC1CC1)c1ccc(NCC[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000292197358 408998843 /nfs/dbraw/zinc/99/88/43/408998843.db2.gz HIKMGIVTTXDLNG-UHFFFAOYSA-N 1 0 318.377 1.995 20 5 DDBDRO CC[N@H+](CCOCCO)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000282187780 409006755 /nfs/dbraw/zinc/00/67/55/409006755.db2.gz WJJHPSNWODJGFE-UHFFFAOYSA-N 1 0 309.322 1.567 20 5 DDBDRO O=C(CC[N@H+]1CCCC[C@H]1CO)Nc1ccccc1[N+](=O)[O-] ZINC000282193603 409008408 /nfs/dbraw/zinc/00/84/08/409008408.db2.gz BQTMJDQOCNJXHS-LBPRGKRZSA-N 1 0 307.350 1.770 20 5 DDBDRO CCOC1CC(O)(C[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000277807455 409015332 /nfs/dbraw/zinc/01/53/32/409015332.db2.gz YLVFNGSDWIXNSS-UHFFFAOYSA-N 1 0 310.350 1.623 20 5 DDBDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1c1ncccc1[N+](=O)[O-] ZINC000278811811 409093007 /nfs/dbraw/zinc/09/30/07/409093007.db2.gz OPSCMGPOXAVDLG-GFCCVEGCSA-N 1 0 306.366 1.679 20 5 DDBDRO CN(CC[N@H+](C)C1CC1)C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000283219419 409113861 /nfs/dbraw/zinc/11/38/61/409113861.db2.gz SESKLKPGKOQQLF-UHFFFAOYSA-N 1 0 310.329 1.482 20 5 DDBDRO CN(C(=O)C[NH2+][C@H]1CCC[C@H]1CCO)c1ccc([N+](=O)[O-])cc1 ZINC000279289306 409186495 /nfs/dbraw/zinc/18/64/95/409186495.db2.gz PGDBHBQBAJDXNR-WFASDCNBSA-N 1 0 321.377 1.698 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@@H](C)CN2CCOCC2)c1 ZINC000279073672 409144109 /nfs/dbraw/zinc/14/41/09/409144109.db2.gz FKZVHYLSNOOTCT-ZDUSSCGKSA-N 1 0 321.377 1.696 20 5 DDBDRO Cc1cc(N(C)CCC[N@@H+](C)CCN(C)C)ncc1[N+](=O)[O-] ZINC000289214387 409234361 /nfs/dbraw/zinc/23/43/61/409234361.db2.gz YQXSFDQUSPLJON-UHFFFAOYSA-N 1 0 309.414 1.618 20 5 DDBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000290134233 409308004 /nfs/dbraw/zinc/30/80/04/409308004.db2.gz MAUUQYMVTLSDBT-KBPBESRZSA-N 1 0 303.362 1.595 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@H]1CCN2CCO[C@H]1C2 ZINC000295099030 409319706 /nfs/dbraw/zinc/31/97/06/409319706.db2.gz KDAAVTVPAJMUMW-HOTGVXAUSA-N 1 0 305.378 1.808 20 5 DDBDRO CC[C@H]([NH3+])CNC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000295198988 409370482 /nfs/dbraw/zinc/37/04/82/409370482.db2.gz JZDDCPMPYFXMJO-VIFPVBQESA-N 1 0 310.310 1.587 20 5 DDBDRO C[C@@H](CCC[NH3+])NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000295199981 409370743 /nfs/dbraw/zinc/37/07/43/409370743.db2.gz KBGRDOJXRIEWFF-NSHDSACASA-N 1 0 317.349 1.638 20 5 DDBDRO Cc1sc(C(=O)N2CCNC[C@](C)(F)C2)cc1[N+](=O)[O-] ZINC000295240933 409394097 /nfs/dbraw/zinc/39/40/97/409394097.db2.gz PCNFOQOTHCRVEJ-LBPRGKRZSA-N 1 0 301.343 1.738 20 5 DDBDRO C[C@H]1CN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC[N@@H+](C2CC2)C1 ZINC000295268648 409406965 /nfs/dbraw/zinc/40/69/65/409406965.db2.gz GQWAHMGUYWWICI-GFCCVEGCSA-N 1 0 321.381 1.124 20 5 DDBDRO C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)[C@H]1CCN2CCO[C@H]1C2 ZINC000295281812 409412367 /nfs/dbraw/zinc/41/23/67/409412367.db2.gz DACTUVICCOTKAH-GJZGRUSLSA-N 1 0 309.341 1.639 20 5 DDBDRO O=c1nc(C2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)[nH][nH]1 ZINC000280719450 409426031 /nfs/dbraw/zinc/42/60/31/409426031.db2.gz BYSAHQFDHWXXNA-UHFFFAOYSA-N 1 0 303.322 1.386 20 5 DDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@](C)(C(N)=O)C1 ZINC000280750015 409436262 /nfs/dbraw/zinc/43/62/62/409436262.db2.gz NFEPVVZUZCMBAC-BMIGLBTASA-N 1 0 320.349 1.119 20 5 DDBDRO C[C@@H]([NH2+]C[C@H](C)CN1CCOCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293632755 287035405 /nfs/dbraw/zinc/03/54/05/287035405.db2.gz HPTKDHJTWIFOBU-QWHCGFSZSA-N 1 0 322.409 1.796 20 5 DDBDRO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)c1ccc([N+](=O)[O-])n1C ZINC000408182340 164253681 /nfs/dbraw/zinc/25/36/81/164253681.db2.gz JJSXAAJFPIDZKI-VXGBXAGGSA-N 1 0 306.366 1.632 20 5 DDBDRO CC(C)O[C@H]1C[C@H]([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)C1(C)C ZINC000296389167 409523922 /nfs/dbraw/zinc/52/39/22/409523922.db2.gz UEUBRADITYTABA-KBPBESRZSA-N 1 0 323.393 1.938 20 5 DDBDRO Cc1ccc(C[NH2+]C[C@](C)(O)CN2CCOCC2)cc1[N+](=O)[O-] ZINC000304355607 409614628 /nfs/dbraw/zinc/61/46/28/409614628.db2.gz SFDYOVZNCGHBCK-INIZCTEOSA-N 1 0 323.393 1.076 20 5 DDBDRO Cc1sc(S(=O)(=O)N[C@H](C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000342522624 409692869 /nfs/dbraw/zinc/69/28/69/409692869.db2.gz GXRVCWOXDVZJKS-MRVPVSSYSA-N 1 0 321.424 1.583 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC(C)(C)CCC[NH3+] ZINC000314129389 409823749 /nfs/dbraw/zinc/82/37/49/409823749.db2.gz FDGVIHNFRYYCLM-UHFFFAOYSA-N 1 0 315.395 1.699 20 5 DDBDRO CCOC(=O)CCC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000342717943 409841700 /nfs/dbraw/zinc/84/17/00/409841700.db2.gz DWZMWYDIWBSMDC-GFCCVEGCSA-N 1 0 322.365 1.819 20 5 DDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000332028732 409818871 /nfs/dbraw/zinc/81/88/71/409818871.db2.gz HUPLBMUBCXJNJY-GJZGRUSLSA-N 1 0 303.362 1.880 20 5 DDBDRO CNc1ccc(C(=O)N(C)C[C@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000317348115 409867278 /nfs/dbraw/zinc/86/72/78/409867278.db2.gz DUGCRXKJKYENGM-GFCCVEGCSA-N 1 0 306.366 1.803 20 5 DDBDRO C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])o2)C[C@@H](C)C1 ZINC000346229194 409871167 /nfs/dbraw/zinc/87/11/67/409871167.db2.gz ROXQSCVDGWXFEA-SDDRHHMPSA-N 1 0 307.350 1.990 20 5 DDBDRO COc1cccc(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000332238076 410003869 /nfs/dbraw/zinc/00/38/69/410003869.db2.gz HQWZMQHBXGCXIT-CHWSQXEVSA-N 1 0 319.361 1.960 20 5 DDBDRO COC(=O)c1cnc(N[C@@H](C)C[N@H+](C)C(C)C)c([N+](=O)[O-])c1 ZINC000357547950 410096123 /nfs/dbraw/zinc/09/61/23/410096123.db2.gz NRVRHVRJVRESIW-JTQLQIEISA-N 1 0 310.354 1.917 20 5 DDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000351857907 410292345 /nfs/dbraw/zinc/29/23/45/410292345.db2.gz CSHMVLIHIALLNO-TUAOUCFPSA-N 1 0 306.366 1.591 20 5 DDBDRO Cc1c(NC(=O)[C@@H](C)N2C[C@H]3C[NH2+]C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000359310567 410595367 /nfs/dbraw/zinc/59/53/67/410595367.db2.gz QQNMZQZJWQKPEI-UPJWGTAASA-N 1 0 318.377 1.381 20 5 DDBDRO COc1c(C(=O)NC[C@H](C)[N@H+](C)C2CC2)cccc1[N+](=O)[O-] ZINC000355639642 410622553 /nfs/dbraw/zinc/62/25/53/410622553.db2.gz ZGEHRGSFXXCANR-JTQLQIEISA-N 1 0 307.350 1.816 20 5 DDBDRO CCOc1cc(N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000301507760 410732225 /nfs/dbraw/zinc/73/22/25/410732225.db2.gz HMLKTWVJQWVXJL-OLZOCXBDSA-N 1 0 323.393 1.885 20 5 DDBDRO C[N@@H+]1CCO[C@H]2CN(c3ccc([N+](=O)[O-])c4cccnc43)C[C@H]21 ZINC000301692304 410772328 /nfs/dbraw/zinc/77/23/28/410772328.db2.gz ZDGNQSLMJRHHPY-CABCVRRESA-N 1 0 314.345 1.662 20 5 DDBDRO COc1cc(N2C[C@H]3OCC[N@H+](C)[C@H]3C2)c(F)cc1[N+](=O)[O-] ZINC000301943195 410832958 /nfs/dbraw/zinc/83/29/58/410832958.db2.gz XYMNQXUWVUXUFE-GXTWGEPZSA-N 1 0 311.313 1.262 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[N@@H+](C)C[C@@H]1C ZINC000330677818 410869677 /nfs/dbraw/zinc/86/96/77/410869677.db2.gz VSIMBSWOWKIZSH-LBPRGKRZSA-N 1 0 306.366 1.478 20 5 DDBDRO CCCC[N@H+](C)C[C@@H](C)Nc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000341149655 410896242 /nfs/dbraw/zinc/89/62/42/410896242.db2.gz UIZGBRUZJXSNFZ-LLVKDONJSA-N 1 0 306.370 2.170 20 5 DDBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1ccc([N+](=O)[O-])n1C ZINC000356300535 410952448 /nfs/dbraw/zinc/95/24/48/410952448.db2.gz OUKZSHYDNPETKN-NWDGAFQWSA-N 1 0 306.366 1.632 20 5 DDBDRO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3c([N+](=O)[O-])ncn3C)[C@@H]2C1 ZINC000344121222 410970126 /nfs/dbraw/zinc/97/01/26/410970126.db2.gz SROWEOZZHYDDFD-YNEHKIRRSA-N 1 0 321.381 1.065 20 5 DDBDRO C[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)CC1(O)CCC1 ZINC000353474767 411012988 /nfs/dbraw/zinc/01/29/88/411012988.db2.gz WIYNFRRKQXMRKW-CYBMUJFWSA-N 1 0 310.350 1.181 20 5 DDBDRO CN(C)C[C@H](O)C[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000338224835 306735635 /nfs/dbraw/zinc/73/56/35/306735635.db2.gz GTVPZKUMVAVMMM-IMJJTQAJSA-N 1 0 321.421 1.818 20 5 DDBDRO Cc1n[nH]c(C(=O)NC2CCC(C[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000331262504 411048173 /nfs/dbraw/zinc/04/81/73/411048173.db2.gz DMGJHFIJQGUWCR-UHFFFAOYSA-N 1 0 309.370 1.477 20 5 DDBDRO COCC[N@@H+]1CC[C@H](Nc2cc(C(=O)OC)ccc2[N+](=O)[O-])C1 ZINC000360137189 411068068 /nfs/dbraw/zinc/06/80/68/411068068.db2.gz YQXJKAZAERFWMC-LBPRGKRZSA-N 1 0 323.349 1.514 20 5 DDBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CC[C@@H](CO)C1 ZINC000348568596 411021367 /nfs/dbraw/zinc/02/13/67/411021367.db2.gz CDHHQECVRZDVKG-LLVKDONJSA-N 1 0 321.333 1.207 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000331216887 411022185 /nfs/dbraw/zinc/02/21/85/411022185.db2.gz PVNYOXLRRUJJDD-VHSXEESVSA-N 1 0 309.370 1.654 20 5 DDBDRO Cn1nc([N+](=O)[O-])cc1C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000356459640 411040224 /nfs/dbraw/zinc/04/02/24/411040224.db2.gz CCYSYHFZNZNSKL-NSHDSACASA-N 1 0 307.354 1.029 20 5 DDBDRO COc1ccc(CNC(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000417188877 225238131 /nfs/dbraw/zinc/23/81/31/225238131.db2.gz IBOFVYLOEGKVEE-ZYHUDNBSSA-N 1 0 322.365 1.482 20 5 DDBDRO O=C(NCCC[C@@H]1CCC[NH2+]1)NCCc1ccc([N+](=O)[O-])cc1 ZINC000417225597 225253682 /nfs/dbraw/zinc/25/36/82/225253682.db2.gz JQLCEWRNFQNOLK-AWEZNQCLSA-N 1 0 320.393 1.969 20 5 DDBDRO [NH3+]C[C@@H](NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000417717365 225409393 /nfs/dbraw/zinc/40/93/93/225409393.db2.gz KHMGNXCPVJKHTM-OAHLLOKOSA-N 1 0 320.393 1.954 20 5 DDBDRO [NH3+]C[C@H]1Cc2ccccc2N1C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000422629072 227080710 /nfs/dbraw/zinc/08/07/10/227080710.db2.gz WIXUJCJISPVMNW-GFCCVEGCSA-N 1 0 315.333 1.098 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N[C@H]1CC12CC[NH2+]CC2 ZINC000366570092 418492612 /nfs/dbraw/zinc/49/26/12/418492612.db2.gz POWNUIXWWGWOAH-ZDUSSCGKSA-N 1 0 323.324 1.371 20 5 DDBDRO [NH2+]=C(NO)[C@@H]1CCCCN1CCOc1ccccc1[N+](=O)[O-] ZINC000374170291 418499619 /nfs/dbraw/zinc/49/96/19/418499619.db2.gz AQIDMVMXGBGQON-LBPRGKRZSA-N 1 0 308.338 1.784 20 5 DDBDRO Cc1cc(OCC(=O)NCCCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000280449489 418570373 /nfs/dbraw/zinc/57/03/73/418570373.db2.gz DOMVIBGGISBFBY-UHFFFAOYSA-N 1 0 309.366 1.740 20 5 DDBDRO CC1(C)CN(c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])CC[NH2+]1 ZINC000212629407 418559054 /nfs/dbraw/zinc/55/90/54/418559054.db2.gz KOXXMUAOQCXPMU-UHFFFAOYSA-N 1 0 313.379 1.187 20 5 DDBDRO COCC[NH2+]C1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000571815001 304489250 /nfs/dbraw/zinc/48/92/50/304489250.db2.gz NDZCJMANRXGDIU-UHFFFAOYSA-N 1 0 321.377 1.364 20 5 DDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000361075670 418578081 /nfs/dbraw/zinc/57/80/81/418578081.db2.gz CQBZEACTWVTGIC-WDEREUQCSA-N 1 0 306.366 1.849 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)c1 ZINC000375011467 418587616 /nfs/dbraw/zinc/58/76/16/418587616.db2.gz FZGIKRQOISLMBE-UONOGXRCSA-N 1 0 308.382 1.930 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2nc(-c3ccccc3)c[nH]2)c1 ZINC000194376830 222175982 /nfs/dbraw/zinc/17/59/82/222175982.db2.gz HFEKPFALESLKIK-UHFFFAOYSA-N 1 0 312.333 1.971 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1CN1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000368217988 418706122 /nfs/dbraw/zinc/70/61/22/418706122.db2.gz CERWSIJGVAFDTG-SJORKVTESA-N 1 0 319.405 1.934 20 5 DDBDRO COc1ccc(C[N@H+](CCO)[C@@H]2CCO[C@H]2C)cc1[N+](=O)[O-] ZINC000361563859 418678826 /nfs/dbraw/zinc/67/88/26/418678826.db2.gz LMIMPQYUSNQCTM-WCQYABFASA-N 1 0 310.350 1.575 20 5 DDBDRO COc1cc(C[N@H+]2C[C@H](CO)[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000361662032 418697362 /nfs/dbraw/zinc/69/73/62/418697362.db2.gz PFSWXKMPMJJOFV-ZYHUDNBSSA-N 1 0 310.350 1.672 20 5 DDBDRO Cn1c(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000361707609 418699807 /nfs/dbraw/zinc/69/98/07/418699807.db2.gz WMAVSOZLDNEYQR-NWDGAFQWSA-N 1 0 306.366 1.490 20 5 DDBDRO C[C@H]([NH3+])[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000381458344 418728580 /nfs/dbraw/zinc/72/85/80/418728580.db2.gz IKAHYZYJRATJIA-BQBZGAKWSA-N 1 0 307.759 1.262 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CCO[C@H]3CC[N@@H+](C)C[C@H]32)n1 ZINC000408028732 418782739 /nfs/dbraw/zinc/78/27/39/418782739.db2.gz FMMSCEYJTUAKGG-OLZOCXBDSA-N 1 0 306.366 1.516 20 5 DDBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H](C2CC2)[C@H]2CNCCO2)cc1 ZINC000422733282 227142134 /nfs/dbraw/zinc/14/21/34/227142134.db2.gz AURLRQASOFLVHM-HZPDHXFCSA-N 1 0 305.378 1.494 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000371446958 418791956 /nfs/dbraw/zinc/79/19/56/418791956.db2.gz IENKFCGEZMSPCE-CHWSQXEVSA-N 1 0 308.382 1.967 20 5 DDBDRO C[C@@H]1[C@H]([NH3+])CCCN1C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000297462637 227201156 /nfs/dbraw/zinc/20/11/56/227201156.db2.gz XRNHRCWSTYFEIS-BXUZGUMPSA-N 1 0 316.361 1.888 20 5 DDBDRO NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000364924584 418822938 /nfs/dbraw/zinc/82/29/38/418822938.db2.gz AXJYWWQSPNTYKW-CFVMTHIKSA-N 1 0 303.362 1.723 20 5 DDBDRO Cc1nn(C)c(C(=O)NC2CC([NH+]3CCCCC3)C2)c1[N+](=O)[O-] ZINC000365417514 418858754 /nfs/dbraw/zinc/85/87/54/418858754.db2.gz CBOISTDAQQNOQI-UHFFFAOYSA-N 1 0 321.381 1.383 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCCO[C@H]2CCC[C@@H]21 ZINC000372352673 418860476 /nfs/dbraw/zinc/86/04/76/418860476.db2.gz ZYEKAFWAMKQYQB-KBPBESRZSA-N 1 0 307.350 1.400 20 5 DDBDRO O=C(COc1ccccc1[N+](=O)[O-])N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000373066530 418926428 /nfs/dbraw/zinc/92/64/28/418926428.db2.gz SBZRTVWBDUKOLN-NWDGAFQWSA-N 1 0 305.334 1.184 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000424003202 227851643 /nfs/dbraw/zinc/85/16/43/227851643.db2.gz DJHFGHQPXRSRNL-QWRGUYRKSA-N 1 0 307.350 1.660 20 5 DDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)C[C@H]1CCC[N@@H+]1C ZINC000421009411 419445763 /nfs/dbraw/zinc/44/57/63/419445763.db2.gz QAXQJPDJGVWYRK-IUODEOHRSA-N 1 0 320.393 1.948 20 5 DDBDRO CO[C@H]1c2ccccc2C[C@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000411895516 419453990 /nfs/dbraw/zinc/45/39/90/419453990.db2.gz WMYCQPZXKJCNDI-HIFRSBDPSA-N 1 0 302.334 1.693 20 5 DDBDRO O=C(N[C@H]1CC[NH2+]C1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000418382776 419760705 /nfs/dbraw/zinc/76/07/05/419760705.db2.gz MXHTZBILIDHWLP-LBPRGKRZSA-N 1 0 304.350 1.631 20 5 DDBDRO CC(C)[C@H]([NH3+])CNC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000418416392 419784977 /nfs/dbraw/zinc/78/49/77/419784977.db2.gz VLCLKEIQCOYLOO-CQSZACIVSA-N 1 0 308.382 1.762 20 5 DDBDRO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000418546136 419870532 /nfs/dbraw/zinc/87/05/32/419870532.db2.gz FDCRDCDEYSESPG-ABAIWWIYSA-N 1 0 318.377 1.803 20 5 DDBDRO O=C(CNc1ncccc1[N+](=O)[O-])NCC[NH+]1CCCCCC1 ZINC000431470093 229033428 /nfs/dbraw/zinc/03/34/28/229033428.db2.gz GINVJFNAIAJGMI-UHFFFAOYSA-N 1 0 321.381 1.394 20 5 DDBDRO COc1cc(CN[C@@H](CC[NH3+])C(F)F)c([N+](=O)[O-])cc1OC ZINC000414984133 419903200 /nfs/dbraw/zinc/90/32/00/419903200.db2.gz DANGXXXPOVXLQQ-VIFPVBQESA-N 1 0 319.308 1.684 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2ccc(-c3cc[nH]n3)o2)c1 ZINC000433340039 229188296 /nfs/dbraw/zinc/18/82/96/229188296.db2.gz NZLHQEKMLVVDLR-UHFFFAOYSA-N 1 0 302.294 1.564 20 5 DDBDRO COC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1)[C@H]1CCCO1 ZINC000434789243 229332344 /nfs/dbraw/zinc/33/23/44/229332344.db2.gz XAPVGKXRMKZGAW-TZMCWYRMSA-N 1 0 310.350 1.887 20 5 DDBDRO CC[C@H]([NH3+])CNC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000418717348 419947772 /nfs/dbraw/zinc/94/77/72/419947772.db2.gz HDQLPGVMYPUUKJ-LBPRGKRZSA-N 1 0 321.381 1.164 20 5 DDBDRO C[C@@H]1[C@H](C)[NH2+]CCN1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000436051727 229444594 /nfs/dbraw/zinc/44/45/94/229444594.db2.gz BHPWCIOIMSPPOU-NWDGAFQWSA-N 1 0 318.377 1.166 20 5 DDBDRO CC(C)[C@H]([NH3+])CN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000423276493 420002083 /nfs/dbraw/zinc/00/20/83/420002083.db2.gz OMFKJXDMEVWDEG-CABCVRRESA-N 1 0 317.393 1.991 20 5 DDBDRO Cn1ccnc1[C@@H](NC[C@H]([NH3+])C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000423317830 420011641 /nfs/dbraw/zinc/01/16/41/420011641.db2.gz KRJPNVPFUBXPNS-GJZGRUSLSA-N 1 0 315.377 1.745 20 5 DDBDRO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000429783452 420047159 /nfs/dbraw/zinc/04/71/59/420047159.db2.gz HRPNUGUWALCABE-STQMWFEESA-N 1 0 307.350 1.608 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000415507140 420095449 /nfs/dbraw/zinc/09/54/49/420095449.db2.gz SMUZFLCAJLAZIJ-MNOVXSKESA-N 1 0 320.349 1.677 20 5 DDBDRO COc1cc(C(=O)N2CC[C@@](C)(C[NH3+])C2)cc([N+](=O)[O-])c1C ZINC000423609207 420099190 /nfs/dbraw/zinc/09/91/90/420099190.db2.gz KTIGSCJSRWVYAF-HNNXBMFYSA-N 1 0 307.350 1.723 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@](C)(C[NH3+])C2)c1 ZINC000423614713 420100476 /nfs/dbraw/zinc/10/04/76/420100476.db2.gz TXHAZEMMNBRVQG-OAHLLOKOSA-N 1 0 307.350 1.804 20 5 DDBDRO Cc1c(NC(=O)C(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)cccc1[N+](=O)[O-] ZINC000415582529 420117404 /nfs/dbraw/zinc/11/74/04/420117404.db2.gz UNHUAYQTDAMERJ-MNOVXSKESA-N 1 0 320.349 1.037 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000423701660 420132703 /nfs/dbraw/zinc/13/27/03/420132703.db2.gz XAJLZIPXIOVPKL-FZMZJTMJSA-N 1 0 319.361 1.818 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000415659860 420139755 /nfs/dbraw/zinc/13/97/55/420139755.db2.gz WIBVXUFFMODQPM-GHMZBOCLSA-N 1 0 320.349 1.228 20 5 DDBDRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000415493759 420088994 /nfs/dbraw/zinc/08/89/94/420088994.db2.gz HGJPFYQYWHPDMU-NSHDSACASA-N 1 0 308.338 1.167 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCCC[C@H]1C(N)=O ZINC000430216876 420091676 /nfs/dbraw/zinc/09/16/76/420091676.db2.gz JKIWCDLJTOVJQE-OLZOCXBDSA-N 1 0 307.350 1.737 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000415499700 420092565 /nfs/dbraw/zinc/09/25/65/420092565.db2.gz KMKUSWUOHVEBOV-GFCCVEGCSA-N 1 0 308.338 1.403 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000415503381 420092985 /nfs/dbraw/zinc/09/29/85/420092985.db2.gz OEEIECSGKYUDAP-PHIMTYICSA-N 1 0 320.349 1.962 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000430578810 420146503 /nfs/dbraw/zinc/14/65/03/420146503.db2.gz FRQPCJCWWKIWLQ-OLZOCXBDSA-N 1 0 320.393 1.901 20 5 DDBDRO C[NH2+][C@H]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000430595562 420151856 /nfs/dbraw/zinc/15/18/56/420151856.db2.gz UVFYPYWNKUDJNX-LBPRGKRZSA-N 1 0 306.366 1.526 20 5 DDBDRO [NH3+]C[C@@H]1CCCC[C@@H]1Nc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000420210381 420152909 /nfs/dbraw/zinc/15/29/09/420152909.db2.gz WFRQRJIXPGCAQF-AAEUAGOBSA-N 1 0 317.349 2.574 20 5 DDBDRO C[C@H](N[C@@H]1[C@H](C)CC[NH2+][C@H]1C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000420363793 420237529 /nfs/dbraw/zinc/23/75/29/420237529.db2.gz JUBSTICJFLLSIG-OXJKWZBOSA-N 1 0 320.393 1.898 20 5 DDBDRO C[C@@H]1CN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@@H](C)C[NH2+]1 ZINC000420380522 420250724 /nfs/dbraw/zinc/25/07/24/420250724.db2.gz CBVIJQHCWGBNPS-MNOVXSKESA-N 1 0 317.349 1.827 20 5 DDBDRO [NH3+]CCC[C@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000423970443 420287757 /nfs/dbraw/zinc/28/77/57/420287757.db2.gz MYKIFOAFHQXSIU-AWEZNQCLSA-N 1 0 317.349 1.388 20 5 DDBDRO CCCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@H]1CC[NH2+]C1 ZINC000430947172 420219616 /nfs/dbraw/zinc/21/96/16/420219616.db2.gz ZPCITLGNEKBTKO-AWEZNQCLSA-N 1 0 320.393 1.916 20 5 DDBDRO CN(CC[NH3+])C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000424012310 420305445 /nfs/dbraw/zinc/30/54/45/420305445.db2.gz SMGQGWFPEZDIDA-UHFFFAOYSA-N 1 0 303.322 1.026 20 5 DDBDRO CC(C)[NH+]1CCC(Nc2c(C(N)=O)cccc2[N+](=O)[O-])CC1 ZINC000420577270 420321872 /nfs/dbraw/zinc/32/18/72/420321872.db2.gz AEDRLTDANCNGRM-UHFFFAOYSA-N 1 0 306.366 1.978 20 5 DDBDRO Cc1c(CC(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000424000799 420299967 /nfs/dbraw/zinc/29/99/67/420299967.db2.gz OQJCWNUNCOWWSB-FZMZJTMJSA-N 1 0 305.378 1.889 20 5 DDBDRO COc1cc(CN2C[C@H]3CCC[C@@H](C2)[NH2+]3)c([N+](=O)[O-])cc1OC ZINC000437771631 420423429 /nfs/dbraw/zinc/42/34/29/420423429.db2.gz IJEGTJACKNOSKO-BETUJISGSA-N 1 0 321.377 1.938 20 5 DDBDRO C[C@H]([NH3+])[C@@H]1CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000447247171 230348771 /nfs/dbraw/zinc/34/87/71/230348771.db2.gz QEKPGWDYONZUAD-CMPLNLGQSA-N 1 0 313.379 1.094 20 5 DDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]([NH3+])C(C)C ZINC000440401955 420573585 /nfs/dbraw/zinc/57/35/85/420573585.db2.gz BCFYFNCEXMDWAB-LBPRGKRZSA-N 1 0 315.395 1.419 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H]1CCC[C@@]1(C)CO ZINC000492894862 420702159 /nfs/dbraw/zinc/70/21/59/420702159.db2.gz SKBKKRBTIIOARZ-HOCLYGCPSA-N 1 0 321.377 1.982 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@H](C[NH3+])C[C@H]1C ZINC000442765259 420711884 /nfs/dbraw/zinc/71/18/84/420711884.db2.gz IVBCOTSUQSJOCM-MNOVXSKESA-N 1 0 322.365 1.211 20 5 DDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000453343487 420721772 /nfs/dbraw/zinc/72/17/72/420721772.db2.gz NMLMOYRBDSWCQH-CWRNSKLLSA-N 1 0 319.405 1.979 20 5 DDBDRO Cn1cnc(CC[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)n1 ZINC000447584094 420784305 /nfs/dbraw/zinc/78/43/05/420784305.db2.gz DQVRFEHWRJEUQE-CQSZACIVSA-N 1 0 301.350 1.933 20 5 DDBDRO CNc1nc(C(=O)NCC[NH+]2CCCCCC2)ccc1[N+](=O)[O-] ZINC000454648773 420901446 /nfs/dbraw/zinc/90/14/46/420901446.db2.gz CTMCSBYNILMHMP-UHFFFAOYSA-N 1 0 321.381 1.637 20 5 DDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC(=O)NCC(F)(F)F ZINC000449107261 420950571 /nfs/dbraw/zinc/95/05/71/420950571.db2.gz LZBWUPLFLNQIKC-VIFPVBQESA-N 1 0 319.283 1.794 20 5 DDBDRO CNc1nc(C(=O)N2CCC[N@@H+](C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000455387245 421005355 /nfs/dbraw/zinc/00/53/55/421005355.db2.gz IHUIRKKCGMKGJH-UHFFFAOYSA-N 1 0 321.381 1.588 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@H](CO)[C@H]1C ZINC000488767290 421114904 /nfs/dbraw/zinc/11/49/04/421114904.db2.gz VTVTVGZCRIXWSI-GHMZBOCLSA-N 1 0 323.349 1.245 20 5 DDBDRO Cc1sc(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)cc1[N+](=O)[O-] ZINC000449716002 421067580 /nfs/dbraw/zinc/06/75/80/421067580.db2.gz FUPJPWWAJZTAQA-QMMMGPOBSA-N 1 0 311.285 1.974 20 5 DDBDRO CC(C)[C@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC[N@@H+]1C ZINC000489333272 421146872 /nfs/dbraw/zinc/14/68/72/421146872.db2.gz GHHHQAAQLOGCRE-CYBMUJFWSA-N 1 0 324.356 1.728 20 5 DDBDRO Cc1sc(S(=O)(=O)NC[C@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000490027925 421185466 /nfs/dbraw/zinc/18/54/66/421185466.db2.gz BRSWMGHLEYJZAU-QMMMGPOBSA-N 1 0 321.424 1.441 20 5 DDBDRO C[C@H]1CC[N@H+](CCNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000525805300 421302568 /nfs/dbraw/zinc/30/25/68/421302568.db2.gz KFCSYMZHRNAVHR-JTQLQIEISA-N 1 0 321.333 1.395 20 5 DDBDRO CC[NH+](CC)[C@H](C)CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000525909229 421312404 /nfs/dbraw/zinc/31/24/04/421312404.db2.gz KLCUSNGPRHSGKV-SNVBAGLBSA-N 1 0 323.349 1.784 20 5 DDBDRO COC(=O)N1CCC([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000496473966 421260255 /nfs/dbraw/zinc/26/02/55/421260255.db2.gz BXCROCIGCDDCJO-CQSZACIVSA-N 1 0 323.349 1.449 20 5 DDBDRO C[C@@H](CNC(=O)c1ccnc(N)c1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC000548058508 421394942 /nfs/dbraw/zinc/39/49/42/421394942.db2.gz RIADYHQBPWQEQU-QWRGUYRKSA-N 1 0 321.381 1.422 20 5 DDBDRO COc1cc(S(=O)(=O)N[C@@H](C)C[C@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000516570505 421552984 /nfs/dbraw/zinc/55/29/84/421552984.db2.gz SIYNDRDGBPSOJB-IUCAKERBSA-N 1 0 317.367 1.008 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@H]1CC[C@H](O)CC1 ZINC000563805427 421543538 /nfs/dbraw/zinc/54/35/38/421543538.db2.gz GQPGMLMKZXLMGR-AVGNSLFASA-N 1 0 310.350 1.228 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000570279874 421635361 /nfs/dbraw/zinc/63/53/61/421635361.db2.gz PPJXDIYKSLTMBW-NXEZZACHSA-N 1 0 322.365 1.392 20 5 DDBDRO CNc1nccc(C(=O)N(C)CCC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000571224414 421698744 /nfs/dbraw/zinc/69/87/44/421698744.db2.gz XCTWXEAZMAMJPF-UHFFFAOYSA-N 1 0 321.381 1.589 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]Cc2cccnc2)c1 ZINC000556601364 421717821 /nfs/dbraw/zinc/71/78/21/421717821.db2.gz KOTQIFNZBKAFDL-CQSZACIVSA-N 1 0 303.318 1.519 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H]2CCC[C@@H](CO)C2)c1 ZINC000571524370 421723568 /nfs/dbraw/zinc/72/35/68/421723568.db2.gz YMALGZUYBKYVBG-UMVBOHGHSA-N 1 0 324.377 1.475 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)c1 ZINC000571552005 421725522 /nfs/dbraw/zinc/72/55/22/421725522.db2.gz MNJPDDRVAZSTQK-BPUTZDHNSA-N 1 0 316.361 1.546 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH+]1CCC(CCO)CC1 ZINC000542281481 421819948 /nfs/dbraw/zinc/81/99/48/421819948.db2.gz FBELECSINRXPQT-AWEZNQCLSA-N 1 0 324.377 1.429 20 5 DDBDRO COc1ccc(CC(=O)NCC2=CC[N@H+](C)CC2)cc1[N+](=O)[O-] ZINC000540542772 421766089 /nfs/dbraw/zinc/76/60/89/421766089.db2.gz KLSRBHYODQDTHZ-UHFFFAOYSA-N 1 0 319.361 1.524 20 5 DDBDRO CN(CCC[NH+](C)C)C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000573773486 422010530 /nfs/dbraw/zinc/01/05/30/422010530.db2.gz SKSCOAJTPFOJIV-UHFFFAOYSA-N 1 0 321.377 1.968 20 5 DDBDRO COCC[C@@H]1C[NH2+]CCN1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC001120582639 782037416 /nfs/dbraw/zinc/03/74/16/782037416.db2.gz JFTMOLXMBKJNIE-CQSZACIVSA-N 1 0 322.365 1.115 20 5 DDBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000574051880 422055685 /nfs/dbraw/zinc/05/56/85/422055685.db2.gz NSCRPIYAVYLYDA-SNVBAGLBSA-N 1 0 321.381 1.374 20 5 DDBDRO C[C@@H](NC(=O)NCC1CC[NH2+]CC1)c1ccccc1[N+](=O)[O-] ZINC000583430339 422162883 /nfs/dbraw/zinc/16/28/83/422162883.db2.gz JEQGDMYBTRHJDD-LLVKDONJSA-N 1 0 306.366 1.955 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCC[C@@H](CO)C1 ZINC000583500132 422173330 /nfs/dbraw/zinc/17/33/30/422173330.db2.gz NMNMCGNOQPODDP-MGPQQGTHSA-N 1 0 324.377 1.475 20 5 DDBDRO COc1ccc(C(=O)N2CC[C@]3(C2)CCC[NH2+]C3)cc1[N+](=O)[O-] ZINC000575052958 422246772 /nfs/dbraw/zinc/24/67/72/422246772.db2.gz VDKVOPRFVTVAKU-MRXNPFEDSA-N 1 0 319.361 1.819 20 5 DDBDRO O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000593905969 422343094 /nfs/dbraw/zinc/34/30/94/422343094.db2.gz FBWZEHBANPJNON-DGCLKSJQSA-N 1 0 315.333 1.940 20 5 DDBDRO CNc1nccc(C(=O)NC(C)(C)CCC[NH+](C)C)c1[N+](=O)[O-] ZINC000594370554 422346712 /nfs/dbraw/zinc/34/67/12/422346712.db2.gz ZVVQBLWYWJAGQS-UHFFFAOYSA-N 1 0 323.397 1.882 20 5 DDBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccnc(NC)c1[N+](=O)[O-] ZINC000576595433 422376319 /nfs/dbraw/zinc/37/63/19/422376319.db2.gz LBZFSGVJVDGOMG-NSHDSACASA-N 1 0 321.381 1.636 20 5 DDBDRO C[C@H](CNC(=O)c1ccnc(N)c1[N+](=O)[O-])[N@@H+]1CCCC[C@@H]1C ZINC000577294250 422383938 /nfs/dbraw/zinc/38/39/38/422383938.db2.gz MGMOGRLPXSVXFO-WDEREUQCSA-N 1 0 321.381 1.565 20 5 DDBDRO CC[N@H+]1[C@H](C)CN(C(=O)c2ccnc(NC)c2[N+](=O)[O-])C[C@@H]1C ZINC000603142272 422450705 /nfs/dbraw/zinc/45/07/05/422450705.db2.gz JHXCEXLEYVBUNO-PHIMTYICSA-N 1 0 321.381 1.586 20 5 DDBDRO Cc1ccc(CC[C@@H](C)[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)o1 ZINC000578759712 422641753 /nfs/dbraw/zinc/64/17/53/422641753.db2.gz FYHSCTMINAHACZ-BXUZGUMPSA-N 1 0 322.365 1.665 20 5 DDBDRO COc1cc(C[NH2+]CC2(CO)CCCC2)c([N+](=O)[O-])cc1O ZINC000185808343 263394115 /nfs/dbraw/zinc/39/41/15/263394115.db2.gz AFYMNCDTFJPISF-UHFFFAOYSA-N 1 0 310.350 1.951 20 5 DDBDRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000341799774 271215747 /nfs/dbraw/zinc/21/57/47/271215747.db2.gz CMSTVRJLDZLITJ-LLVKDONJSA-N 1 0 322.365 1.380 20 5 DDBDRO NC(=O)[C@@H]1CCC[N@H+](CCCNc2c(F)cccc2[N+](=O)[O-])C1 ZINC000342099182 271297062 /nfs/dbraw/zinc/29/70/62/271297062.db2.gz SXEGWLUYZOLEJK-LLVKDONJSA-N 1 0 324.356 1.733 20 5 DDBDRO CC[N@@H+]1CCC[C@H](NC(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000342221776 271345032 /nfs/dbraw/zinc/34/50/32/271345032.db2.gz DBMDCQFEXLCDPX-ZDUSSCGKSA-N 1 0 320.393 1.997 20 5 DDBDRO C[C@@H](CC(N)=O)[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000343103326 271644993 /nfs/dbraw/zinc/64/49/93/271644993.db2.gz OVOFIMBFHADCJU-UWVGGRQHSA-N 1 0 308.338 1.165 20 5 DDBDRO C[NH+](C)[C@H]1CCCN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])C1 ZINC000078617847 273816279 /nfs/dbraw/zinc/81/62/79/273816279.db2.gz UEYTXCDKXSWAEG-JTQLQIEISA-N 1 0 317.349 1.362 20 5 DDBDRO [NH3+]C1(CNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCC1 ZINC000230054015 274942616 /nfs/dbraw/zinc/94/26/16/274942616.db2.gz YUJHYAJYCGKZIT-UHFFFAOYSA-N 1 0 319.770 1.408 20 5 DDBDRO CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000237052434 276560330 /nfs/dbraw/zinc/56/03/30/276560330.db2.gz YUDKLWYGBPVINC-SWLSCSKDSA-N 1 0 320.393 1.617 20 5 DDBDRO C[NH+](C)C/C=C\C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000491641595 276764105 /nfs/dbraw/zinc/76/41/05/276764105.db2.gz LACTWLBHOFPJQT-YVMONPNESA-N 1 0 318.377 1.361 20 5 DDBDRO CN1CC[NH2+]C[C@@H]1CN[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000423522046 277116156 /nfs/dbraw/zinc/11/61/56/277116156.db2.gz RENADVVNARJTTA-CJNGLKHVSA-N 1 0 318.421 1.810 20 5 DDBDRO C[NH2+]C[C@@H]1CCCN1CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000430574616 277278587 /nfs/dbraw/zinc/27/85/87/277278587.db2.gz TWJQFNCHYKNRTB-LBPRGKRZSA-N 1 0 306.366 1.526 20 5 DDBDRO C[C@@H]([NH3+])[C@@H](C)NC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000418698109 278310368 /nfs/dbraw/zinc/31/03/68/278310368.db2.gz MQMISBAISOFTPU-VXGBXAGGSA-N 1 0 321.381 1.162 20 5 DDBDRO C[C@@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000050163262 278360913 /nfs/dbraw/zinc/36/09/13/278360913.db2.gz MYQVJFSRCOCQFD-GHMZBOCLSA-N 1 0 313.379 1.261 20 5 DDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@H](C[NH3+])C1 ZINC000044528895 280259468 /nfs/dbraw/zinc/25/94/68/280259468.db2.gz HQMFGYQBCDNDNK-LLVKDONJSA-N 1 0 313.379 1.263 20 5 DDBDRO CC[C@]1(C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)CCC[NH2+]1 ZINC000423822217 281300909 /nfs/dbraw/zinc/30/09/09/281300909.db2.gz FXEORHOOEBIUQJ-OAHLLOKOSA-N 1 0 304.350 1.407 20 5 DDBDRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000193492226 288849093 /nfs/dbraw/zinc/84/90/93/288849093.db2.gz BNHFNHXHMIKUBQ-RYUDHWBXSA-N 1 0 307.350 1.620 20 5 DDBDRO C[C@@H]1CC[N@H+](C)CCN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000354004236 298335899 /nfs/dbraw/zinc/33/58/99/298335899.db2.gz AVVLAZXEDVEDSC-GFCCVEGCSA-N 1 0 307.350 1.526 20 5 DDBDRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000261964068 300490418 /nfs/dbraw/zinc/49/04/18/300490418.db2.gz MQRHXPZOKGKOLF-VHSXEESVSA-N 1 0 321.333 1.175 20 5 DDBDRO Cc1nn(CCC(=O)N[C@@H]2CC23CC[NH2+]CC3)c(C)c1[N+](=O)[O-] ZINC000366577656 300719947 /nfs/dbraw/zinc/71/99/47/300719947.db2.gz YXGOIWRLMOOKRW-GFCCVEGCSA-N 1 0 321.381 1.057 20 5 DDBDRO CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000368222501 300980446 /nfs/dbraw/zinc/98/04/46/300980446.db2.gz KUWRLMNWVPIAED-CABCVRRESA-N 1 0 305.378 1.888 20 5 DDBDRO O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000368320904 301002262 /nfs/dbraw/zinc/00/22/62/301002262.db2.gz GQWIEGXQTJBUNM-GFCCVEGCSA-N 1 0 311.363 1.015 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]3CC[N@H+](C)[C@H]3C2)c1 ZINC000368590606 301060201 /nfs/dbraw/zinc/06/02/01/301060201.db2.gz KZNRBRWFFIZYPJ-ABAIWWIYSA-N 1 0 319.361 1.770 20 5 DDBDRO C[N@@H+]1CCC[C@H](N2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000369353099 301170210 /nfs/dbraw/zinc/17/02/10/301170210.db2.gz BLYCICCETVHSGG-KRWDZBQOSA-N 1 0 318.421 1.807 20 5 DDBDRO O=C1CCCCN1[C@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000370025039 301260571 /nfs/dbraw/zinc/26/05/71/301260571.db2.gz CFGITGFRIBQGQC-ZDUSSCGKSA-N 1 0 321.381 1.268 20 5 DDBDRO O=C(NC[C@@H]1CCC[N@@H+]1CCc1ccccc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000370217829 301296133 /nfs/dbraw/zinc/29/61/33/301296133.db2.gz BQENGVXURUUPII-ARFHVFGLSA-N 1 0 317.389 1.475 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000261653435 302045602 /nfs/dbraw/zinc/04/56/02/302045602.db2.gz JWTHHKIAMXQDIP-ZDUSSCGKSA-N 1 0 313.379 1.263 20 5 DDBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)COc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000376360920 302068086 /nfs/dbraw/zinc/06/80/86/302068086.db2.gz QMCJOIUBSJAJCA-TUKIKUTGSA-N 1 0 319.361 1.559 20 5 DDBDRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cccc([N+](=O)[O-])c1 ZINC000377468633 302182139 /nfs/dbraw/zinc/18/21/39/302182139.db2.gz CIDNPQDIYJATOW-KGLIPLIRSA-N 1 0 305.334 1.188 20 5 DDBDRO COc1ccc(S(=O)(=O)NC(C)(C)CC[NH3+])c([N+](=O)[O-])c1 ZINC000397159075 302352337 /nfs/dbraw/zinc/35/23/37/302352337.db2.gz AMRHVSWFGIDMJL-UHFFFAOYSA-N 1 0 317.367 1.009 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC(C)(C)CC[NH3+])cc1C ZINC000397183118 302352344 /nfs/dbraw/zinc/35/23/44/302352344.db2.gz KDJHUKPVPQGUFB-UHFFFAOYSA-N 1 0 315.395 1.617 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCc2cccc(Cl)c2)c1 ZINC000514932418 302755337 /nfs/dbraw/zinc/75/53/37/302755337.db2.gz VYTUWFDHVJUIBG-AWEZNQCLSA-N 1 0 324.768 1.638 20 5 DDBDRO COc1cccc(C(=O)N2CC[C@@H](OC)C[C@H]2C[NH3+])c1[N+](=O)[O-] ZINC000518756390 302829748 /nfs/dbraw/zinc/82/97/48/302829748.db2.gz HLJMEXBIANWYQQ-WDEREUQCSA-N 1 0 323.349 1.182 20 5 DDBDRO CC[NH+](CC)C[C@@H](C)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000522188808 302886020 /nfs/dbraw/zinc/88/60/20/302886020.db2.gz NZVJXFXIVVHBRY-SNVBAGLBSA-N 1 0 323.349 1.784 20 5 DDBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N1CC[NH+](C2CCC2)CC1 ZINC000523435228 302897071 /nfs/dbraw/zinc/89/70/71/302897071.db2.gz PCESIDRQQVSJLI-UHFFFAOYSA-N 1 0 318.377 1.975 20 5 DDBDRO CS[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cn2)C[C@H]1[NH+](C)C ZINC000535729419 303350044 /nfs/dbraw/zinc/35/00/44/303350044.db2.gz WIXVJABSVVLKLZ-VXGBXAGGSA-N 1 0 310.379 1.107 20 5 DDBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@@H](C2CC2)[C@@H]2CNCCO2)c1 ZINC000423009069 304804949 /nfs/dbraw/zinc/80/49/49/304804949.db2.gz BXYCWOZUNPSYJI-HOTGVXAUSA-N 1 0 305.378 1.494 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])c(N(C)C2CC[NH+](CCO)CC2)n1 ZINC000359104829 306950963 /nfs/dbraw/zinc/95/09/63/306950963.db2.gz VPBVJXPAJPEPRH-UHFFFAOYSA-N 1 0 308.382 1.500 20 5 DDBDRO Cc1cc(N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)ncc1[N+](=O)[O-] ZINC000361830405 307008243 /nfs/dbraw/zinc/00/82/43/307008243.db2.gz MHPPHEZUMKBNGB-JSGCOSHPSA-N 1 0 306.366 1.334 20 5 DDBDRO CCCc1n[nH]c(C(=O)N2CC[C@@H]3CC[N@H+](C)[C@@H]3C2)c1[N+](=O)[O-] ZINC000362254135 307015699 /nfs/dbraw/zinc/01/56/99/307015699.db2.gz BOCBYPWNTBCYJH-CMPLNLGQSA-N 1 0 321.381 1.437 20 5 DDBDRO C[NH+]1CCC2(CCCN2C(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000363998661 307039445 /nfs/dbraw/zinc/03/94/45/307039445.db2.gz LHAIYMIKLXUGBM-UHFFFAOYSA-N 1 0 319.365 1.272 20 5 DDBDRO O=[N+]([O-])c1ccc(F)cc1N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000364191283 307043154 /nfs/dbraw/zinc/04/31/54/307043154.db2.gz RTNHXBBSBOPFGP-UKRRQHHQSA-N 1 0 309.341 1.769 20 5 DDBDRO CCCc1n[nH]c(C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1[N+](=O)[O-] ZINC000368615213 307106460 /nfs/dbraw/zinc/10/64/60/307106460.db2.gz UBACVBSOXWMGML-AXFHLTTASA-N 1 0 321.381 1.470 20 5 DDBDRO CN(C(=O)[C@@H]1C[C@@H]1[N+](=O)[O-])C1CCN(c2cc[nH+]cc2)CC1 ZINC000368929737 307112924 /nfs/dbraw/zinc/11/29/24/307112924.db2.gz IUUBTYVEHXKFDL-KGLIPLIRSA-N 1 0 304.350 1.174 20 5 DDBDRO C[C@H]1CCC[N@@H+]1C1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000372086655 307162945 /nfs/dbraw/zinc/16/29/45/307162945.db2.gz NQSCZDULLJSWJT-LBPRGKRZSA-N 1 0 321.381 1.267 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000372893835 307175681 /nfs/dbraw/zinc/17/56/81/307175681.db2.gz WIQAPXKLZHSXNV-MFKMUULPSA-N 1 0 323.324 1.323 20 5 DDBDRO COc1ccc(CC(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000563102875 307957036 /nfs/dbraw/zinc/95/70/36/307957036.db2.gz GCXDXHPHPOADEK-DGCLKSJQSA-N 1 0 321.377 1.732 20 5 DDBDRO COCC[N@H+](C)C[C@@H](O)CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000565169270 308022808 /nfs/dbraw/zinc/02/28/08/308022808.db2.gz GBXMZLOQTJFXNC-WFASDCNBSA-N 1 0 311.382 1.185 20 5 DDBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3ncccc3O)C2)nc1 ZINC000565976312 308039891 /nfs/dbraw/zinc/03/98/91/308039891.db2.gz AWDCFFKUPHWXLH-LLVKDONJSA-N 1 0 315.333 1.777 20 5 DDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H]2[C@@H]3CCC[C@@H]32)cc1 ZINC000566124237 308044724 /nfs/dbraw/zinc/04/47/24/308044724.db2.gz VFMWWVUEFRKARX-BTTYYORXSA-N 1 0 310.375 1.757 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCN(C2CC2)C1 ZINC000570837484 308182333 /nfs/dbraw/zinc/18/23/33/308182333.db2.gz RYJUAJANIKBYFD-TZMCWYRMSA-N 1 0 321.377 1.161 20 5 DDBDRO Cc1ccc([C@H](C)C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000576749158 308336622 /nfs/dbraw/zinc/33/66/22/308336622.db2.gz NGNZRHMOQXJVHD-CZUORRHYSA-N 1 0 318.377 1.854 20 5 DDBDRO O=C(NCC[C@@H]1CC[NH2+]C1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000578970576 308497487 /nfs/dbraw/zinc/49/74/87/308497487.db2.gz LFWNNMLHFXWAQN-LBPRGKRZSA-N 1 0 318.377 1.662 20 5 DDBDRO COc1cc(C(=O)N2CC[C@H]([NH3+])[C@@H]2C)cc([N+](=O)[O-])c1OC ZINC000578979716 308498182 /nfs/dbraw/zinc/49/81/82/308498182.db2.gz JYENWVADQOHJPD-WPRPVWTQSA-N 1 0 309.322 1.174 20 5 DDBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@H]1C[NH2+]CC1(C)C ZINC001120668339 782085934 /nfs/dbraw/zinc/08/59/34/782085934.db2.gz ILBKEVGBIMBBHK-AWEZNQCLSA-N 1 0 320.393 1.777 20 5 DDBDRO COc1cc(C(=O)N[C@H](C)CCC[NH3+])c([N+](=O)[O-])cc1OC ZINC000389796603 325776746 /nfs/dbraw/zinc/77/67/46/325776746.db2.gz IONRWBYPSKWNEV-SECBINFHSA-N 1 0 311.338 1.469 20 5 DDBDRO CO[C@@H](C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C(C)C ZINC000581662073 325894597 /nfs/dbraw/zinc/89/45/97/325894597.db2.gz TWXFJXVDMINSKT-HIFRSBDPSA-N 1 0 312.366 1.595 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccccc2C[NH2+]C)n1 ZINC000582720074 337124822 /nfs/dbraw/zinc/12/48/22/337124822.db2.gz BVFJMSOMEBXJQA-UHFFFAOYSA-N 1 0 303.322 1.783 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C[C@@H](O)C2CCC2)c1 ZINC000582845953 337206433 /nfs/dbraw/zinc/20/64/33/337206433.db2.gz RMKYYWUNUJQXNJ-DZGCQCFKSA-N 1 0 310.350 1.085 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)NCC2CC[NH+](C3CC3)CC2)n1 ZINC000583791978 337333679 /nfs/dbraw/zinc/33/36/79/337333679.db2.gz PIWNHFDLNYPRLU-UHFFFAOYSA-N 1 0 321.381 1.415 20 5 DDBDRO O=C1N=NCN1C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000583847565 337341726 /nfs/dbraw/zinc/34/17/26/337341726.db2.gz JBOQLTGBQQUTHP-UHFFFAOYSA-N 1 0 303.322 1.729 20 5 DDBDRO COC(=O)c1cc(NC(=O)[C@H]2C[C@@H](C)CC[NH2+]2)cc([N+](=O)[O-])c1 ZINC000422998208 533885646 /nfs/dbraw/zinc/88/56/46/533885646.db2.gz CPCBBABHLKBHEW-TVQRCGJNSA-N 1 0 321.333 1.708 20 5 DDBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000417222652 534463180 /nfs/dbraw/zinc/46/31/80/534463180.db2.gz FPCPGLYWSIUBSN-ZFWWWQNUSA-N 1 0 318.377 1.531 20 5 DDBDRO NC(=O)c1ccc(C[N@@H+]2CC[C@@H](CCCO)C2)c([N+](=O)[O-])c1 ZINC000452132178 534480453 /nfs/dbraw/zinc/48/04/53/534480453.db2.gz QKFOHUREBNHZBC-LLVKDONJSA-N 1 0 307.350 1.288 20 5 DDBDRO CC(C)(C)C1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000173759738 534559262 /nfs/dbraw/zinc/55/92/62/534559262.db2.gz HBLLDKWUDKSSGA-AWEZNQCLSA-N 1 0 310.398 1.910 20 5 DDBDRO CN(CC(C)(C)C[NH3+])S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000157646395 522548355 /nfs/dbraw/zinc/54/83/55/522548355.db2.gz QPBRRZICQNWEBQ-UHFFFAOYSA-N 1 0 319.358 1.339 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[N@H+]2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)c1 ZINC000451341752 534889156 /nfs/dbraw/zinc/88/91/56/534889156.db2.gz LQYRKOANRNAYGL-RRFJBIMHSA-N 1 0 308.382 1.807 20 5 DDBDRO CC(C)(CC[NH3+])NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000424065766 527029038 /nfs/dbraw/zinc/02/90/38/527029038.db2.gz YAUVRNPHWVIXII-UHFFFAOYSA-N 1 0 318.337 1.033 20 5 DDBDRO CC(=O)[C@H](NC(=O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000451107551 527149843 /nfs/dbraw/zinc/14/98/43/527149843.db2.gz ZKXZZBFXICPLDB-MEDUHNTESA-N 1 0 321.377 1.975 20 5 DDBDRO CC(C)(C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)n1cc([N+](=O)[O-])cn1 ZINC000331663732 527530208 /nfs/dbraw/zinc/53/02/08/527530208.db2.gz OSTXSGJXVVBHRF-OLZOCXBDSA-N 1 0 321.381 1.269 20 5 DDBDRO CC1=CC[N@H+](CCNc2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000302139469 528119671 /nfs/dbraw/zinc/11/96/71/528119671.db2.gz GBQBAHRTQKBANK-UHFFFAOYSA-N 1 0 302.338 1.701 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000424027903 528691767 /nfs/dbraw/zinc/69/17/67/528691767.db2.gz WPYWHLAUKXNGMZ-NSHDSACASA-N 1 0 323.349 1.183 20 5 DDBDRO CC1(C)COC[C@@H]1[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000451808075 529133667 /nfs/dbraw/zinc/13/36/67/529133667.db2.gz ILCBGOZUEOEGSQ-ZDUSSCGKSA-N 1 0 307.350 1.938 20 5 DDBDRO COC(=O)Cc1ccc(N2CC[C@H](C[NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000297133826 536364762 /nfs/dbraw/zinc/36/47/62/536364762.db2.gz NFLWTHLVVBNMLB-CYBMUJFWSA-N 1 0 321.377 1.698 20 5 DDBDRO CC[N@@H+]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C[C@@H]1C ZINC000825465067 607821745 /nfs/dbraw/zinc/82/17/45/607821745.db2.gz HIGFCIVDFCAILP-JTQLQIEISA-N 1 0 317.353 1.305 20 5 DDBDRO CCC[N@H+](CC)CCNc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000821095056 606138597 /nfs/dbraw/zinc/13/85/97/606138597.db2.gz WFXSJCRFVVRBTB-UHFFFAOYSA-N 1 0 319.369 1.919 20 5 DDBDRO CCC[N@H+](CC)CCNc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000821094309 606138714 /nfs/dbraw/zinc/13/87/14/606138714.db2.gz GGBVMFKBZALNFN-UHFFFAOYSA-N 1 0 320.357 1.314 20 5 DDBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C[C@H]1[NH+](C)C ZINC000820774422 606803822 /nfs/dbraw/zinc/80/38/22/606803822.db2.gz CMGXGCBXXNLHJA-NOZJJQNGSA-N 1 0 317.353 1.161 20 5 DDBDRO CC1CCC([NH+]2CCN(Cn3cc([N+](=O)[O-])cn3)CC2)CC1 ZINC000115514794 696665399 /nfs/dbraw/zinc/66/53/99/696665399.db2.gz IZLQBHADSXMOJJ-UHFFFAOYSA-N 1 0 307.398 1.945 20 5 DDBDRO [NH3+][C@H](CC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)C1CC1 ZINC000123958759 696736885 /nfs/dbraw/zinc/73/68/85/696736885.db2.gz YVPVURPXTPBHQT-CYBMUJFWSA-N 1 0 318.377 1.371 20 5 DDBDRO Cc1cccc(C[N@@H+]2CCCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1 ZINC000981136674 697015227 /nfs/dbraw/zinc/01/52/27/697015227.db2.gz DNWNZQPKCISOQH-HZPDHXFCSA-N 1 0 317.389 1.695 20 5 DDBDRO C[C@H]1CCCN(CC[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000749678500 700176296 /nfs/dbraw/zinc/17/62/96/700176296.db2.gz SRUWIYVQWAKQAH-XJKSGUPXSA-N 1 0 307.394 1.950 20 5 DDBDRO CC1(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)OCCO1 ZINC000774265514 697860746 /nfs/dbraw/zinc/86/07/46/697860746.db2.gz FMAYIHYTDDOWNJ-NEPJUHHUSA-N 1 0 310.354 1.628 20 5 DDBDRO NC(=O)C[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000774863237 697936388 /nfs/dbraw/zinc/93/63/88/697936388.db2.gz LWUZPEYNYVDTKR-LLVKDONJSA-N 1 0 322.321 1.733 20 5 DDBDRO COc1ccc(OCC[NH2+]C2(C(N)=O)CCCC2)c([N+](=O)[O-])c1 ZINC000750051362 700200896 /nfs/dbraw/zinc/20/08/96/700200896.db2.gz XEPWBINTKDBFQR-UHFFFAOYSA-N 1 0 323.349 1.370 20 5 DDBDRO Cc1nn(CN2CC[C@H](Cc3cnn(C)c3)C2)cc1[N+](=O)[O-] ZINC000779865021 698476315 /nfs/dbraw/zinc/47/63/15/698476315.db2.gz KATDFXIVIBALIU-GFCCVEGCSA-N 1 0 304.354 1.355 20 5 DDBDRO O=[N+]([O-])c1ccc(Cl)c(CN2CCC[C@@](O)(CO)C2)c1 ZINC000314358509 698688682 /nfs/dbraw/zinc/68/86/82/698688682.db2.gz IXZJYIBXOKGINQ-ZDUSSCGKSA-N 1 0 300.742 1.567 20 5 DDBDRO C[C@H](C[C@H](C)[NH3+])NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000320019547 698717001 /nfs/dbraw/zinc/71/70/01/698717001.db2.gz AXCIYNFKWZQJCJ-JGVFFNPUSA-N 1 0 305.331 1.138 20 5 DDBDRO C[C@H]1CC[C@H]1[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000783252218 698825718 /nfs/dbraw/zinc/82/57/18/698825718.db2.gz OGFJDAAQFMYAJM-WDEREUQCSA-N 1 0 313.379 1.261 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)NCC[N@@H+]2CCC[C@H]2C)c1[N+](=O)[O-] ZINC000783918168 698892653 /nfs/dbraw/zinc/89/26/53/698892653.db2.gz DVGNYPLWAOJAQA-SNVBAGLBSA-N 1 0 309.370 1.655 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)NCC[N@@H+]2CCC[C@@H]2C)c1[N+](=O)[O-] ZINC000783918166 698892734 /nfs/dbraw/zinc/89/27/34/698892734.db2.gz DVGNYPLWAOJAQA-JTQLQIEISA-N 1 0 309.370 1.655 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000424034314 699147866 /nfs/dbraw/zinc/14/78/66/699147866.db2.gz ZVVQQKZDJQYYSV-HNNXBMFYSA-N 1 0 305.334 1.572 20 5 DDBDRO [NH3+]CC[C@@H](NC(=O)c1cccc(Cl)c1[N+](=O)[O-])C(F)F ZINC000706324506 699243468 /nfs/dbraw/zinc/24/34/68/699243468.db2.gz WKCLWVWVNSUUCW-MRVPVSSYSA-N 1 0 307.684 1.961 20 5 DDBDRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000731455912 699529165 /nfs/dbraw/zinc/52/91/65/699529165.db2.gz XGRXQMVBAAUZTA-TZMCWYRMSA-N 1 0 323.324 1.327 20 5 DDBDRO O=C(NC[C@H]1CCC[N@@H+](CC[N+](=O)[O-])C1)Nc1cccc(F)c1 ZINC000791055284 699609256 /nfs/dbraw/zinc/60/92/56/699609256.db2.gz RHVLJIFRZAPHGS-GFCCVEGCSA-N 1 0 324.356 1.936 20 5 DDBDRO C[NH+](C)CCCOC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000791793728 699654844 /nfs/dbraw/zinc/65/48/44/699654844.db2.gz DCNPIJUKCWSSRS-UHFFFAOYSA-N 1 0 300.286 1.608 20 5 DDBDRO O=[N+]([O-])c1ccnn1CN1CCC(CC[NH+]2CCOCC2)CC1 ZINC000738111757 699752627 /nfs/dbraw/zinc/75/26/27/699752627.db2.gz PVMRUZHXBOSFHF-UHFFFAOYSA-N 1 0 323.397 1.183 20 5 DDBDRO COC(C)(C)CN(C)Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000794631342 699820332 /nfs/dbraw/zinc/82/03/32/699820332.db2.gz LHBPQPGWDQADAF-UHFFFAOYSA-N 1 0 309.322 1.817 20 5 DDBDRO C[NH+](C)[C@H](CNC(=O)c1cc([N+](=O)[O-])c(F)cc1N)C1CC1 ZINC000801827160 700342676 /nfs/dbraw/zinc/34/26/76/700342676.db2.gz VUXOTYDHXHJZCL-CYBMUJFWSA-N 1 0 310.329 1.386 20 5 DDBDRO C/C(=C\C(=O)NC[C@@]1(O)CC[N@@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000762721749 700904892 /nfs/dbraw/zinc/90/48/92/700904892.db2.gz NKJAXMPIXPXARU-YHVDPYDOSA-N 1 0 319.361 1.181 20 5 DDBDRO C[C@H]([NH2+]C(C)(C)CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1ccccc1 ZINC000839648738 701765975 /nfs/dbraw/zinc/76/59/75/701765975.db2.gz RASSYBGZPSUVGH-IACUBPJLSA-N 1 0 305.378 1.897 20 5 DDBDRO C[C@@H]1C[C@@H](NC(=O)Cc2cccc(F)c2[N+](=O)[O-])CC[N@@H+]1C ZINC000866073872 706611211 /nfs/dbraw/zinc/61/12/11/706611211.db2.gz UVXIRYYAJSZOAI-PWSUYJOCSA-N 1 0 309.341 1.875 20 5 DDBDRO CC(C)(C(=O)O[C@H]1CC[N@@H+]2CCC[C@H]2C1)n1cc([N+](=O)[O-])cn1 ZINC000810839511 701859443 /nfs/dbraw/zinc/85/94/43/701859443.db2.gz BSOLGBGUNNNJDT-AAEUAGOBSA-N 1 0 322.365 1.696 20 5 DDBDRO CN(CC[NH+]1CC2(C1)CCOCC2)c1ccc([N+](=O)[O-])nc1 ZINC000866256166 706658965 /nfs/dbraw/zinc/65/89/65/706658965.db2.gz KONZLRVQBLVJOR-UHFFFAOYSA-N 1 0 306.366 1.538 20 5 DDBDRO CN(CC[NH+]1CC2(C1)CCOCC2)c1ccc(N)cc1[N+](=O)[O-] ZINC000866257540 706659140 /nfs/dbraw/zinc/65/91/40/706659140.db2.gz JKVVZENFUOHTAI-UHFFFAOYSA-N 1 0 320.393 1.726 20 5 DDBDRO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCC[C@@H](CO)[C@H]2CO)cc1 ZINC000879362335 706661414 /nfs/dbraw/zinc/66/14/14/706661414.db2.gz WCHAWJUTKZOFBA-XJKSGUPXSA-N 1 0 324.377 1.429 20 5 DDBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1CCCN(C)C1=O ZINC000866278898 706662942 /nfs/dbraw/zinc/66/29/42/706662942.db2.gz BSOJMJJWGZBFMD-MFKMUULPSA-N 1 0 309.341 1.875 20 5 DDBDRO CC[C@H]([NH3+])CNC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000841256131 702404098 /nfs/dbraw/zinc/40/40/98/702404098.db2.gz FTFRCDLTRMSLAQ-ZETCQYMHSA-N 1 0 314.729 1.040 20 5 DDBDRO C[NH+](C)CCOc1cccc(-c2noc([C@@H]3CC3[N+](=O)[O-])n2)c1 ZINC000842492985 702728695 /nfs/dbraw/zinc/72/86/95/702728695.db2.gz CHEJXPUZCSVSBU-CHWSQXEVSA-N 1 0 318.333 1.810 20 5 DDBDRO CC[NH2+]CCCNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000842691148 702757419 /nfs/dbraw/zinc/75/74/19/702757419.db2.gz CXZBTORSNWHRKC-UHFFFAOYSA-N 1 0 321.786 1.526 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CC[C@H](O)C(F)(F)F)cc1 ZINC000843074195 702814016 /nfs/dbraw/zinc/81/40/16/702814016.db2.gz XYAUCBUYVIMGBF-MNOVXSKESA-N 1 0 308.256 1.531 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(Cc2noc(C3(C[NH3+])CC3)n2)c1 ZINC000843222405 702844937 /nfs/dbraw/zinc/84/49/37/702844937.db2.gz HSKHUFWXFKFKGA-UHFFFAOYSA-N 1 0 304.306 1.568 20 5 DDBDRO O=C(NC[C@@H]1CCCC[NH2+]1)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000843257815 702850254 /nfs/dbraw/zinc/85/02/54/702850254.db2.gz VZXUXUSSYGCQKU-VIFPVBQESA-N 1 0 321.362 1.471 20 5 DDBDRO C[C@@H]1[C@H](C)[NH2+]CCN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000843377819 702869981 /nfs/dbraw/zinc/86/99/81/702869981.db2.gz UWAFOWYBDBCPIJ-WDEREUQCSA-N 1 0 324.356 1.745 20 5 DDBDRO C[C@@H]1[NH2+]CCN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)[C@H]1C ZINC000843472993 702888828 /nfs/dbraw/zinc/88/88/28/702888828.db2.gz UWVCXJPQQFRJDN-QWRGUYRKSA-N 1 0 317.349 1.153 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CC[NH2+]C(C)(C)C2)cc1[N+](=O)[O-] ZINC000843486006 702891197 /nfs/dbraw/zinc/89/11/97/702891197.db2.gz RIODMRRELVHCEK-UHFFFAOYSA-N 1 0 322.321 1.635 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N(C)[C@@H](C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000843498842 702894759 /nfs/dbraw/zinc/89/47/59/702894759.db2.gz URNYENCBGZDITO-ZDUSSCGKSA-N 1 0 322.321 1.621 20 5 DDBDRO CCCN(C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C)C1 ZINC000843987273 702949385 /nfs/dbraw/zinc/94/93/85/702949385.db2.gz DLDPBLSKNZATNL-HUUCEWRRSA-N 1 0 321.377 1.571 20 5 DDBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+][C@@H]1C[C@H]3CC[C@@H]1O3)OCCO2 ZINC000846073978 703234571 /nfs/dbraw/zinc/23/45/71/703234571.db2.gz UZZUIMQHQZAWPS-WZRBSPASSA-N 1 0 306.318 1.776 20 5 DDBDRO CON(C)CC[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000850480057 703733207 /nfs/dbraw/zinc/73/32/07/703733207.db2.gz JFLZQVUALJVQJK-LLVKDONJSA-N 1 0 310.354 1.395 20 5 DDBDRO C[NH2+]C[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C ZINC000850594570 703738796 /nfs/dbraw/zinc/73/87/96/703738796.db2.gz RVUZGDCTFUXEGV-QMMMGPOBSA-N 1 0 321.786 1.443 20 5 DDBDRO CCO[C@@H](CNC(=O)c1csc([N+](=O)[O-])c1)C[NH+](C)C ZINC000831758156 706773031 /nfs/dbraw/zinc/77/30/31/706773031.db2.gz WSQMGIRRBLTYGI-JTQLQIEISA-N 1 0 301.368 1.353 20 5 DDBDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000818579981 703929664 /nfs/dbraw/zinc/92/96/64/703929664.db2.gz YHUFNLIJKQKPPS-ZWNOBZJWSA-N 1 0 317.349 1.059 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000866720834 706775586 /nfs/dbraw/zinc/77/55/86/706775586.db2.gz OOJGJMIKEIVYSX-ZFWWWQNUSA-N 1 0 318.377 1.668 20 5 DDBDRO CN(C(=O)CN1CCC[C@H]2[NH2+]CC[C@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000866721840 706775869 /nfs/dbraw/zinc/77/58/69/706775869.db2.gz QASCHZMIVFENPH-HUUCEWRRSA-N 1 0 318.377 1.384 20 5 DDBDRO COC/C=C/C(=O)O[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000870377092 704014769 /nfs/dbraw/zinc/01/47/69/704014769.db2.gz GWKXIWXANVUAEG-VFQAQYNWSA-N 1 0 320.345 1.915 20 5 DDBDRO COC(=O)N1CCC[C@@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819002007 704048743 /nfs/dbraw/zinc/04/87/43/704048743.db2.gz HEIWUBUIZBFBSM-TZMCWYRMSA-N 1 0 323.349 1.449 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CCOC2CCC2)c1 ZINC000819121338 704072130 /nfs/dbraw/zinc/07/21/30/704072130.db2.gz VWMBEKUWDLIYRM-ZDUSSCGKSA-N 1 0 310.350 1.493 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[NH2+]C[C@H](O)c2cccc(Cl)c2)c1 ZINC000819176688 704081768 /nfs/dbraw/zinc/08/17/68/704081768.db2.gz MICSWRIVCIMVAG-ZDUSSCGKSA-N 1 0 310.741 1.768 20 5 DDBDRO Cc1ccc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)c(=O)n1C ZINC000819270410 704097871 /nfs/dbraw/zinc/09/78/71/704097871.db2.gz YOJZMXASWJFWAU-HNNXBMFYSA-N 1 0 317.345 1.425 20 5 DDBDRO O=[N+]([O-])c1ccc(CN2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1F ZINC000852708128 704103240 /nfs/dbraw/zinc/10/32/40/704103240.db2.gz RJDMDSLDLQJSJW-CQSZACIVSA-N 1 0 323.368 1.765 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@H]2CCN(CC(F)F)C2)c1 ZINC000819378179 704116625 /nfs/dbraw/zinc/11/66/25/704116625.db2.gz WBOZYNSYWAOEGC-AAEUAGOBSA-N 1 0 315.320 1.557 20 5 DDBDRO C[N@@H+]1C[C@H]2CCN(C(=O)CCc3cc(F)ccc3[N+](=O)[O-])[C@H]2C1 ZINC000820264838 704248760 /nfs/dbraw/zinc/24/87/60/704248760.db2.gz SNGZPRRJUHAGET-DOMZBBRYSA-N 1 0 321.352 1.829 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCCOCC[NH+](C)C ZINC000821742982 704437474 /nfs/dbraw/zinc/43/74/74/704437474.db2.gz LFIWFXFZLZPDSP-UHFFFAOYSA-N 1 0 309.366 1.520 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)NCC[C@H](C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000855418295 704484705 /nfs/dbraw/zinc/48/47/05/704484705.db2.gz YPXNZBDCLVWMTM-VIFPVBQESA-N 1 0 324.337 1.881 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(Cc2noc(C[C@H]3CC[NH2+]C3)n2)c1 ZINC000823088594 705135909 /nfs/dbraw/zinc/13/59/09/705135909.db2.gz LZMCLYUBIMALDT-SNVBAGLBSA-N 1 0 318.333 1.729 20 5 DDBDRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000874822359 705181369 /nfs/dbraw/zinc/18/13/69/705181369.db2.gz ARBBDDZLZGIVMT-KBPBESRZSA-N 1 0 321.352 1.972 20 5 DDBDRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000874834285 705191080 /nfs/dbraw/zinc/19/10/80/705191080.db2.gz QUSLQUKNTWVUOJ-QWRGUYRKSA-N 1 0 306.322 1.004 20 5 DDBDRO COc1cc(C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)ccc1[N+](=O)[O-] ZINC000874840448 705195496 /nfs/dbraw/zinc/19/54/96/705195496.db2.gz OBJVCMICRZAPKI-OLZOCXBDSA-N 1 0 319.361 1.912 20 5 DDBDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)Nc3ccc(N)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000823926513 705340348 /nfs/dbraw/zinc/34/03/48/705340348.db2.gz ABQFDOVWGGQBNN-IINYFYTJSA-N 1 0 319.365 1.735 20 5 DDBDRO CC[N@@H+]1CCCN(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000823997710 705351594 /nfs/dbraw/zinc/35/15/94/705351594.db2.gz GRPSLLPCRJZRMQ-UHFFFAOYSA-N 1 0 307.354 1.737 20 5 DDBDRO O=C(Cn1ccc([N+](=O)[O-])n1)OCC12CCC[NH+](CCC1)C2 ZINC000861356845 705445053 /nfs/dbraw/zinc/44/50/53/705445053.db2.gz BTVDDKBOOHIKLD-UHFFFAOYSA-N 1 0 308.338 1.211 20 5 DDBDRO CC1(C)[NH2+]CC[C@H]1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000825249910 705633490 /nfs/dbraw/zinc/63/34/90/705633490.db2.gz QUBJUTNLZDPTJG-LLVKDONJSA-N 1 0 308.294 1.373 20 5 DDBDRO C[N@@H+]1CCC[C@H](CNC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000825777199 705729756 /nfs/dbraw/zinc/72/97/56/705729756.db2.gz RFSZPCQOXBVXDG-RISCZKNCSA-N 1 0 307.350 1.086 20 5 DDBDRO CC(C)(NC(=O)[C@@H](F)[C@H]1CC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000876696239 705824006 /nfs/dbraw/zinc/82/40/06/705824006.db2.gz RAVWBIVPARGOKB-GWCFXTLKSA-N 1 0 309.341 1.894 20 5 DDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@@H](CO)c3ccc(F)cc3)C2)c1 ZINC000877040237 705969392 /nfs/dbraw/zinc/96/93/92/705969392.db2.gz BLBJCYUIRUFNJV-PIMMBPRGSA-N 1 0 320.324 1.957 20 5 DDBDRO CC1(C)[C@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)[C@@H]2CCO[C@H]21 ZINC000877058973 705974205 /nfs/dbraw/zinc/97/42/05/705974205.db2.gz HYLMAOQJCOBWRV-UDQDRUOESA-N 1 0 306.366 1.898 20 5 DDBDRO C[N@@H+]1CC[C@H]2CN(C(=O)COc3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000827346626 705982363 /nfs/dbraw/zinc/98/23/63/705982363.db2.gz PSBOFNCFIKVFKU-WFASDCNBSA-N 1 0 319.361 1.526 20 5 DDBDRO CCOC(=O)[C@@H](C)[C@@H](C)[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877322731 706063383 /nfs/dbraw/zinc/06/33/83/706063383.db2.gz COPJZWXTCKFCKO-DMOGRIERSA-N 1 0 310.354 1.672 20 5 DDBDRO CO[C@H](CN(CC[NH3+])c1ccc([N+](=O)[O-])cc1)[C@H]1CCOC1 ZINC000877521756 706131163 /nfs/dbraw/zinc/13/11/63/706131163.db2.gz CILPIXAUGNUVQJ-SWLSCSKDSA-N 1 0 309.366 1.411 20 5 DDBDRO CC(C)(C)N1CC[C@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000877621801 706162094 /nfs/dbraw/zinc/16/20/94/706162094.db2.gz AHJVXMOSMHHAIR-HIFPTAJRSA-N 1 0 307.398 1.957 20 5 DDBDRO O=C(Cc1cccc(F)c1[N+](=O)[O-])NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000864963738 706314059 /nfs/dbraw/zinc/31/40/59/706314059.db2.gz YMRGIHMPTXOJCM-NSHDSACASA-N 1 0 321.352 1.877 20 5 DDBDRO CC(C)[C@@H](O)CC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000878251193 706339008 /nfs/dbraw/zinc/33/90/08/706339008.db2.gz HPDSOKAPRYAFNY-JSGCOSHPSA-N 1 0 308.382 1.883 20 5 DDBDRO C[C@H]1[C@H](NC(=O)CCc2cc(F)ccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000830112626 706457059 /nfs/dbraw/zinc/45/70/59/706457059.db2.gz UIILPSNCEFOTFC-GXFFZTMASA-N 1 0 309.341 1.875 20 5 DDBDRO COCCN(CC1CC[NH+](C)CC1)c1ncccc1[N+](=O)[O-] ZINC000865996810 706588899 /nfs/dbraw/zinc/58/88/99/706588899.db2.gz QBCPSMWSRZIETH-UHFFFAOYSA-N 1 0 308.382 1.784 20 5 DDBDRO CC1([NH+]2CCCCC2)CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000832225271 706875008 /nfs/dbraw/zinc/87/50/08/706875008.db2.gz PPMAYCKUDQJJCG-UHFFFAOYSA-N 1 0 321.381 1.799 20 5 DDBDRO COCC[NH2+]CCc1cn(Cc2ccc([N+](=O)[O-])c(F)c2)nn1 ZINC000881213979 707155529 /nfs/dbraw/zinc/15/55/29/707155529.db2.gz WNPLDCHOEXWAPE-UHFFFAOYSA-N 1 0 323.328 1.152 20 5 DDBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H](O)c1ccnn1C ZINC000927125715 712944773 /nfs/dbraw/zinc/94/47/73/712944773.db2.gz FRHUSKGFQBRRMZ-BMIGLBTASA-N 1 0 322.340 1.722 20 5 DDBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000882486134 707657118 /nfs/dbraw/zinc/65/71/18/707657118.db2.gz ZHQWWFOHLHOBCH-CQSZACIVSA-N 1 0 316.361 1.760 20 5 DDBDRO CC1([NH+]2CCC2)CCN(C(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000882505832 707671242 /nfs/dbraw/zinc/67/12/42/707671242.db2.gz OXCDMBZLHBOCEU-UHFFFAOYSA-N 1 0 304.350 1.690 20 5 DDBDRO Cc1cc(NCC[N@@H+](C)CCOCCO)c([N+](=O)[O-])s1 ZINC000882950853 707866991 /nfs/dbraw/zinc/86/69/91/707866991.db2.gz CWLHQBOCHGASNW-UHFFFAOYSA-N 1 0 303.384 1.317 20 5 DDBDRO CC[N@@H+]1CC[C@H]1CNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000882961267 707874352 /nfs/dbraw/zinc/87/43/52/707874352.db2.gz JPTJIVQCRWTBJW-ZDUSSCGKSA-N 1 0 318.377 1.993 20 5 DDBDRO CC[N@@H+]1CC[C@H]1CNC(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000883167698 707945697 /nfs/dbraw/zinc/94/56/97/707945697.db2.gz FPMWESZPAHYUEF-ZDUSSCGKSA-N 1 0 322.365 1.497 20 5 DDBDRO O=[N+]([O-])c1cc(C[N@@H+](CCO)CCOCCO)ccc1Cl ZINC000839194291 708034776 /nfs/dbraw/zinc/03/47/76/708034776.db2.gz KDGFFKHAAJPNNH-UHFFFAOYSA-N 1 0 318.757 1.051 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)c1C ZINC000884042572 708115042 /nfs/dbraw/zinc/11/50/42/708115042.db2.gz CAJYGVPBBCBDIO-YPMHNXCESA-N 1 0 307.350 1.400 20 5 DDBDRO COCC[C@H]([NH3+])C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000884062186 708122490 /nfs/dbraw/zinc/12/24/90/708122490.db2.gz JBBQUMGCCQIXIU-LBPRGKRZSA-N 1 0 315.757 1.570 20 5 DDBDRO CCO[C@@H](C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)CN(C)C ZINC000896877224 708170213 /nfs/dbraw/zinc/17/02/13/708170213.db2.gz IBJLGODHNRYKHU-YIZWMMSDSA-N 1 0 311.386 1.051 20 5 DDBDRO COC(=O)c1cnc(N2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)c([N+](=O)[O-])c1 ZINC000896913151 708181286 /nfs/dbraw/zinc/18/12/86/708181286.db2.gz NKQUJXTXIQUTIY-XHDPSFHLSA-N 1 0 320.349 1.164 20 5 DDBDRO CN1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC[N@H+](C)CC1 ZINC000897093676 708227736 /nfs/dbraw/zinc/22/77/36/708227736.db2.gz CFTFHCYQSBBZIV-UHFFFAOYSA-N 1 0 312.801 1.932 20 5 DDBDRO Cc1cccc(N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)c1[N+](=O)[O-] ZINC000897220928 708258719 /nfs/dbraw/zinc/25/87/19/708258719.db2.gz ZSKMHWBJKIKQDQ-KBPBESRZSA-N 1 0 305.378 1.939 20 5 DDBDRO Nc1c(F)c(N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)ccc1[N+](=O)[O-] ZINC000897221448 708259183 /nfs/dbraw/zinc/25/91/83/708259183.db2.gz NBLFYSJHYRECOP-MNOVXSKESA-N 1 0 324.356 1.352 20 5 DDBDRO Cc1cc(Cl)c(C(=O)NCC[N@H+](C)CCO)cc1[N+](=O)[O-] ZINC000899738498 709184455 /nfs/dbraw/zinc/18/44/55/709184455.db2.gz DRULNSZFQPCTPM-UHFFFAOYSA-N 1 0 315.757 1.211 20 5 DDBDRO C[C@@H]1CN(C(=O)c2ccc(C[NH2+]CC[N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000899876185 709224661 /nfs/dbraw/zinc/22/46/61/709224661.db2.gz OYIOJVFLZUVFKG-BETUJISGSA-N 1 0 321.377 1.302 20 5 DDBDRO C[N@@H+]1CCC[C@](O)(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000900098995 709288573 /nfs/dbraw/zinc/28/85/73/709288573.db2.gz LMOVQGIJKTXQKY-INIZCTEOSA-N 1 0 319.361 1.331 20 5 DDBDRO C[NH+]1CCC2(CCN2C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC1 ZINC000889224528 709464293 /nfs/dbraw/zinc/46/42/93/709464293.db2.gz MKIVONRKKPRUKA-UHFFFAOYSA-N 1 0 321.381 1.223 20 5 DDBDRO O=C(COc1ccccc1[N+](=O)[O-])N1CCC([NH+]2CCC2)CC1 ZINC000912884393 713114167 /nfs/dbraw/zinc/11/41/67/713114167.db2.gz FTEDXSKCSWPVPR-UHFFFAOYSA-N 1 0 319.361 1.670 20 5 DDBDRO C[NH2+]C[C@H]1CCCCN1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000891447922 710204374 /nfs/dbraw/zinc/20/43/74/710204374.db2.gz DHNCQCTUNKKKPH-CQSZACIVSA-N 1 0 306.366 1.878 20 5 DDBDRO Cc1c(CNC(=O)N[C@@]23CCC[C@@H]2[NH2+]CC3)cccc1[N+](=O)[O-] ZINC000891848649 710308640 /nfs/dbraw/zinc/30/86/40/710308640.db2.gz KABYMDNKPGFSIO-GOEBONIOSA-N 1 0 318.377 1.987 20 5 DDBDRO C[N@@H+]1CC[C@](O)(CNc2c3cc(F)ccc3ncc2[N+](=O)[O-])C1 ZINC000893186701 710568340 /nfs/dbraw/zinc/56/83/40/710568340.db2.gz BBJCHRLMHFTBLK-HNNXBMFYSA-N 1 0 320.324 1.183 20 5 DDBDRO COc1cc(OCC(=O)N[C@H]2CC[N@H+](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000928442802 713197959 /nfs/dbraw/zinc/19/79/59/713197959.db2.gz CFFOFIPZLTVHGL-PWSUYJOCSA-N 1 0 323.349 1.191 20 5 DDBDRO C[C@H]1[C@@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC[N@@H+]1C ZINC000928448999 713201606 /nfs/dbraw/zinc/20/16/06/713201606.db2.gz DGOWJJVFLKARCK-WPRPVWTQSA-N 1 0 307.306 1.146 20 5 DDBDRO Cn1ccnc1[C@H](NCC1([NH3+])CC1)c1ccc([N+](=O)[O-])cc1 ZINC000902406554 710744138 /nfs/dbraw/zinc/74/41/38/710744138.db2.gz NXNJOGMOAWXSDL-CYBMUJFWSA-N 1 0 301.350 1.499 20 5 DDBDRO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CC[C@@H]2C[N@H+](C)C[C@H]21 ZINC000893936005 710892507 /nfs/dbraw/zinc/89/25/07/710892507.db2.gz TYNZPZWGTDGQJQ-HTQZYQBOSA-N 1 0 319.287 1.487 20 5 DDBDRO COC(=O)c1cc(C)nc(N2CC[C@@H]3C[N@H+](C)C[C@@H]32)c1[N+](=O)[O-] ZINC000893942028 710894792 /nfs/dbraw/zinc/89/47/92/710894792.db2.gz YQFCSHAPEIVHQU-PWSUYJOCSA-N 1 0 320.349 1.225 20 5 DDBDRO COC(=O)[C@H]1[C@H](C[NH2+]CCc2cccc([N+](=O)[O-])c2)C1(F)F ZINC000894365620 711089615 /nfs/dbraw/zinc/08/96/15/711089615.db2.gz DZVMKRYZHQGARA-NWDGAFQWSA-N 1 0 314.288 1.781 20 5 DDBDRO CCC[C@H]1CN(c2nc(C(=O)OC)ccc2[N+](=O)[O-])CC[NH2+]1 ZINC000895058179 711391013 /nfs/dbraw/zinc/39/10/13/711391013.db2.gz JAUBMHHIISQAHT-JTQLQIEISA-N 1 0 308.338 1.355 20 5 DDBDRO C[N@H+](CCO)CCNc1c2cccc(Cl)c2ncc1[N+](=O)[O-] ZINC000895241370 711462234 /nfs/dbraw/zinc/46/22/34/711462234.db2.gz RISFQZSIDDATSP-UHFFFAOYSA-N 1 0 324.768 1.554 20 5 DDBDRO CNC(=O)c1ccc(N2CC[C@H](CC[NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000895330775 711486535 /nfs/dbraw/zinc/48/65/35/711486535.db2.gz RDXNRGITKMIJCV-LBPRGKRZSA-N 1 0 320.393 1.732 20 5 DDBDRO [NH3+][C@H]1C[C@@H](CN2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)C1 ZINC000904335980 711842897 /nfs/dbraw/zinc/84/28/97/711842897.db2.gz KWPKWFZRCUXXLS-PHIMTYICSA-N 1 0 324.406 1.151 20 5 DDBDRO CCN1CC[C@H]1C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000905443289 712039238 /nfs/dbraw/zinc/03/92/38/712039238.db2.gz YVXJJAMSTGFJRV-STQMWFEESA-N 1 0 309.366 1.018 20 5 DDBDRO O=C(CN1C[C@@H]2C[NH2+]C[C@H]2C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000917198550 713486823 /nfs/dbraw/zinc/48/68/23/713486823.db2.gz FMJJGECXINBBRV-UWVGGRQHSA-N 1 0 324.768 1.338 20 5 DDBDRO C[N@H+](CCNC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000930651587 713887692 /nfs/dbraw/zinc/88/76/92/713887692.db2.gz YVXJTMNOYPWJIS-CABCVRRESA-N 1 0 303.362 1.909 20 5 DDBDRO O=C(N1C[C@@H]([NH2+]CC[N+](=O)[O-])Cc2ccccc21)C(F)(F)F ZINC000930971603 713971209 /nfs/dbraw/zinc/97/12/09/713971209.db2.gz SEWNFXJTGHSYMC-JTQLQIEISA-N 1 0 317.267 1.373 20 5 DDBDRO CN1CC[C@@H]1C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000922575517 714092229 /nfs/dbraw/zinc/09/22/29/714092229.db2.gz KGQLTPYNHKVURK-OAHLLOKOSA-N 1 0 315.377 1.789 20 5 DDBDRO COc1ccc(C[NH2+]CC2CC3(C2)OCCO3)cc1[N+](=O)[O-] ZINC000922800694 714151688 /nfs/dbraw/zinc/15/16/88/714151688.db2.gz SJCHYIADUBAENM-UHFFFAOYSA-N 1 0 308.334 1.846 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)CN2CC[NH2+]C[C@@H]2C(F)F)c1 ZINC000923350566 714323085 /nfs/dbraw/zinc/32/30/85/714323085.db2.gz CEAWSHLQXZGKIW-VXGBXAGGSA-N 1 0 301.293 1.167 20 5 DDBDRO CC(C)[C@H]1C[NH2+]CCN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000923397494 714341374 /nfs/dbraw/zinc/34/13/74/714341374.db2.gz COFIZBLGWKNYBG-DZGCQCFKSA-N 1 0 323.393 1.264 20 5 DDBDRO C[C@H]1COC[C@H]1[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000932494757 714346434 /nfs/dbraw/zinc/34/64/34/714346434.db2.gz QUUGWLWEMKGCHE-GXFFZTMASA-N 1 0 305.334 1.108 20 5 DDBDRO C[C@H]1C[NH2+][C@@H](C)[C@H](C)N1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000923440954 714356456 /nfs/dbraw/zinc/35/64/56/714356456.db2.gz JPQTUTZLNCJWAT-SRVKXCTJSA-N 1 0 306.366 1.604 20 5 DDBDRO C[C@@H]1C[NH2+][C@@H](C)[C@@H](C)N1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000923441731 714356663 /nfs/dbraw/zinc/35/66/63/714356663.db2.gz JUMRJNMTTWHIRF-FRRDWIJNSA-N 1 0 320.393 1.628 20 5 DDBDRO CCOC(=O)[C@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000932646328 714373918 /nfs/dbraw/zinc/37/39/18/714373918.db2.gz HWUZABZSHROYFM-LBPRGKRZSA-N 1 0 308.334 1.859 20 5 DDBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923520652 714388801 /nfs/dbraw/zinc/38/88/01/714388801.db2.gz HENOMAVZWNMDDD-RWMBFGLXSA-N 1 0 318.377 1.463 20 5 DDBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)Cn1c(C)ncc1[N+](=O)[O-] ZINC000932757590 714406901 /nfs/dbraw/zinc/40/69/01/714406901.db2.gz WWLQRKQZPKEUGI-CYBMUJFWSA-N 1 0 323.397 1.480 20 5 DDBDRO CC(C)[N@@H+]1CCC[C@@H]1C(=O)OCCn1cc([N+](=O)[O-])ccc1=O ZINC000923888148 714484841 /nfs/dbraw/zinc/48/48/41/714484841.db2.gz BYMHKKQBTGBGJV-CYBMUJFWSA-N 1 0 323.349 1.173 20 5 DDBDRO CCn1cnc2c1CCN(C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000933258846 714548272 /nfs/dbraw/zinc/54/82/72/714548272.db2.gz MFRKEHIDQAZLJJ-MRXNPFEDSA-N 1 0 316.361 1.903 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000933462828 714595631 /nfs/dbraw/zinc/59/56/31/714595631.db2.gz DMWKHLORDGAZPX-SNVBAGLBSA-N 1 0 311.386 1.192 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1C ZINC000925309435 714803159 /nfs/dbraw/zinc/80/31/59/714803159.db2.gz ZYLBKTMLDMCLLC-KOLCDFICSA-N 1 0 308.338 1.818 20 5 DDBDRO C[N@@H+]1CC[C@@H]1CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000925410424 714846628 /nfs/dbraw/zinc/84/66/28/714846628.db2.gz RNDCEQFXXKGJLE-OAHLLOKOSA-N 1 0 318.377 1.973 20 5 DDBDRO C[N@@H+]1CCO[C@@H]2CN(c3ccc4c(cccc4[N+](=O)[O-])n3)C[C@@H]21 ZINC001164666140 719391569 /nfs/dbraw/zinc/39/15/69/719391569.db2.gz JJVUPWXEAOJVJT-LSDHHAIUSA-N 1 0 314.345 1.662 20 5 DDBDRO CCOC(=O)COc1ncc(N[C@H]2CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC001167278825 732888854 /nfs/dbraw/zinc/88/88/54/732888854.db2.gz UILMBBAVVRSDNG-JTQLQIEISA-N 1 0 324.337 1.048 20 5 DDBDRO C[NH+](C)CCOc1cc(NCC(C)(C)C(N)=O)ccc1[N+](=O)[O-] ZINC001167605821 734811396 /nfs/dbraw/zinc/81/13/96/734811396.db2.gz JCYIYNKMOCXJFE-UHFFFAOYSA-N 1 0 324.381 1.459 20 5 DDBDRO Cn1c(-c2ccc([N+](=O)[O-])o2)nnc1N1CC[NH+](C2CC2)CC1 ZINC001121298132 782448236 /nfs/dbraw/zinc/44/82/36/782448236.db2.gz UUDFJNHYVACXAQ-UHFFFAOYSA-N 1 0 318.337 1.268 20 5 DDBDRO C[C@H](c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1C)[N+](=O)[O-] ZINC001121388797 782486879 /nfs/dbraw/zinc/48/68/79/782486879.db2.gz GTBLLUJGQLZLQR-LLVKDONJSA-N 1 0 310.402 1.463 20 5 DDBDRO [NH3+]CCc1ccn(-c2cc([N+](=O)[O-])cc(Br)n2)n1 ZINC001167730797 737206320 /nfs/dbraw/zinc/20/63/20/737206320.db2.gz SCJLVXZKOQFDDU-UHFFFAOYSA-N 1 0 312.127 1.439 20 5 DDBDRO CN(CCN(C)c1ccccc1[N+](=O)[O-])C(=O)C[NH+]1CCCC1 ZINC001105405029 740938896 /nfs/dbraw/zinc/93/88/96/740938896.db2.gz GYKOOEYUINVTIV-UHFFFAOYSA-N 1 0 320.393 1.585 20 5 DDBDRO Cc1ccc(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])nn1 ZINC001126925997 742678573 /nfs/dbraw/zinc/67/85/73/742678573.db2.gz BRNRYQFLHHUILD-UHFFFAOYSA-N 1 0 315.333 1.213 20 5 DDBDRO CC[NH+](CC)CC[C@H](C)NC(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001181653763 743286457 /nfs/dbraw/zinc/28/64/57/743286457.db2.gz LOTKWPVICCQJJN-JTQLQIEISA-N 1 0 309.370 1.422 20 5 DDBDRO CC(C)=CC[NH+]1CCC2(CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1 ZINC001040699192 744521257 /nfs/dbraw/zinc/52/12/57/744521257.db2.gz ADMAIQSJCSYLPH-HUUCEWRRSA-N 1 0 321.421 1.932 20 5 DDBDRO O=C(NCC1C[NH+](CCc2ccccc2F)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001031662845 747337720 /nfs/dbraw/zinc/33/77/20/747337720.db2.gz NNRAFEKEUCMLFF-UKRRQHHQSA-N 1 0 321.352 1.081 20 5 DDBDRO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@H](CO)[C@H](CCO)C2)c(Cl)c1 ZINC001198752042 747599105 /nfs/dbraw/zinc/59/91/05/747599105.db2.gz HZEKDJBMNMFTRD-ZYHUDNBSSA-N 1 0 314.769 1.671 20 5 DDBDRO CCN(CCNc1cc(C)c([N+](=O)[O-])cn1)C(=O)CC[NH+](C)C ZINC001106946201 748215376 /nfs/dbraw/zinc/21/53/76/748215376.db2.gz ABTKHHVXEDVVDP-UHFFFAOYSA-N 1 0 323.397 1.510 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])cc1N(CC[NH3+])c1cccnc1 ZINC001168835649 762061565 /nfs/dbraw/zinc/06/15/65/762061565.db2.gz ACVMEDJKZSCEED-UHFFFAOYSA-N 1 0 316.317 1.873 20 5 DDBDRO O=C(NCC1=CCN(Cc2cncs2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001000674147 762078788 /nfs/dbraw/zinc/07/87/88/762078788.db2.gz LZSCAIQFSGKVPT-CHWSQXEVSA-N 1 0 322.390 1.057 20 5 DDBDRO COCC(=O)N[C@H]1CC[C@H]([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168998907 762170542 /nfs/dbraw/zinc/17/05/42/762170542.db2.gz QYYKATHLOGJYNZ-XDQVBPFNSA-N 1 0 313.398 1.095 20 5 DDBDRO COC(=O)Cc1cccc(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001169003097 762173949 /nfs/dbraw/zinc/17/39/49/762173949.db2.gz NFPHNDCMBXWTMD-CABCVRRESA-N 1 0 306.362 1.937 20 5 DDBDRO Cc1cnc(C[NH3+])n1-c1ccc([N+](=O)[O-])c2c1CCN(C)C2 ZINC001169031019 762187685 /nfs/dbraw/zinc/18/76/85/762187685.db2.gz UWHYTTKDEXNYAN-UHFFFAOYSA-N 1 0 301.350 1.536 20 5 DDBDRO O=C(c1ccccn1)N1CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169050586 762206948 /nfs/dbraw/zinc/20/69/48/762206948.db2.gz BRDHNOPSFSZHKG-KGLIPLIRSA-N 1 0 318.377 1.285 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CC[C@H](Oc3ncc(F)cn3)C2)C1 ZINC001169054391 762209727 /nfs/dbraw/zinc/20/97/27/762209727.db2.gz LTEJMGNVMCYJCB-WXHSDQCUSA-N 1 0 310.329 1.514 20 5 DDBDRO CSc1nc(Cl)nc(N(C)CC[NH+](C)C)c1[N+](=O)[O-] ZINC001163590587 754161810 /nfs/dbraw/zinc/16/18/10/754161810.db2.gz ZNTOTUHKEXPCGR-UHFFFAOYSA-N 1 0 305.791 1.758 20 5 DDBDRO Cc1ncc(CC(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)o1 ZINC001129304135 754254061 /nfs/dbraw/zinc/25/40/61/754254061.db2.gz OMUNWVFWQYNHCR-UHFFFAOYSA-N 1 0 324.362 1.401 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])c(Cl)cc1-n1ccnc1CC[NH3+] ZINC001166382598 757038989 /nfs/dbraw/zinc/03/89/89/757038989.db2.gz GGPRUOHROLBCHP-UHFFFAOYSA-N 1 0 324.724 1.722 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(N2CCCc3ccc(C[NH3+])nc32)n1 ZINC001169584800 762545007 /nfs/dbraw/zinc/54/50/07/762545007.db2.gz RYWHEJUFAUKGJU-UHFFFAOYSA-N 1 0 315.333 1.936 20 5 DDBDRO COc1cc([N+](=O)[O-])c(-n2nnc3ccc(C[NH3+])cc32)cc1F ZINC001170023662 764099702 /nfs/dbraw/zinc/09/97/02/764099702.db2.gz KPMJOJDZRHMFJH-UHFFFAOYSA-N 1 0 317.280 1.935 20 5 DDBDRO CSc1nc(Cl)c([N+](=O)[O-])c(NC(=N)SCC[NH3+])n1 ZINC001157128093 764429201 /nfs/dbraw/zinc/42/92/01/764429201.db2.gz AAOBWJWWPOBUHS-UHFFFAOYSA-N 1 0 322.803 1.799 20 5 DDBDRO Cc1noc(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1C ZINC001130066149 767213661 /nfs/dbraw/zinc/21/36/61/767213661.db2.gz KCCSTRDCDMVBTB-UHFFFAOYSA-N 1 0 318.333 1.719 20 5 DDBDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001147155433 773054350 /nfs/dbraw/zinc/05/43/50/773054350.db2.gz ZPDKEMKPVFGQKL-SSDOTTSWSA-N 1 0 315.761 1.574 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@H+]1CCO[C@H](CO)C1)CC2 ZINC001172907080 776918119 /nfs/dbraw/zinc/91/81/19/776918119.db2.gz CRIBLMPUUYPQDC-ZBFHGGJFSA-N 1 0 306.362 1.535 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N2CCC(C)([NH+]3CCC3)CC2)n1 ZINC001175854516 777949416 /nfs/dbraw/zinc/94/94/16/777949416.db2.gz RIRFLRVDHCPQBX-UHFFFAOYSA-N 1 0 318.377 1.999 20 5 DDBDRO C[C@H]([NH2+]C[C@@H](O)C[C@]1(O)CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC001176036343 778008808 /nfs/dbraw/zinc/00/88/08/778008808.db2.gz JZVXUODQWUAAJZ-TUKIKUTGSA-N 1 0 310.350 1.148 20 5 DDBDRO CC[N@@H+]1C[C@H](NC(=O)c2cnc(N)c([N+](=O)[O-])c2)C(C)(C)C1 ZINC001178860299 779214787 /nfs/dbraw/zinc/21/47/87/779214787.db2.gz AAKIRMXOVBTIJT-NSHDSACASA-N 1 0 307.354 1.032 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)CN(C[C@@H](O)C[NH+]1CCCC1)CC2 ZINC001116248612 780488023 /nfs/dbraw/zinc/48/80/23/780488023.db2.gz BEIXMQYUQSYUGJ-INIZCTEOSA-N 1 0 305.378 1.410 20 5 DDBDRO C[C@@H]1CN(c2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC001120057624 781742087 /nfs/dbraw/zinc/74/20/87/781742087.db2.gz NAMXAOHXAIXESN-PHIMTYICSA-N 1 0 316.361 1.633 20 5 DDBDRO CCC[NH2+]CCN(Cc1ccccc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001271805483 844121562 /nfs/dbraw/zinc/12/15/62/844121562.db2.gz BHMPJJBBQZZFJG-HUUCEWRRSA-N 1 0 305.378 1.680 20 5 DDBDRO C[C@@H](C[N+](C)(C)C)Oc1cc(I)cnn1 ZINC001227815362 843808471 /nfs/dbraw/zinc/80/84/71/843808471.db2.gz HYPNPXNOAJVFOS-QMMMGPOBSA-N 1 0 322.170 1.555 20 5 DDBDRO CCCc1n[nH]c(C(=O)NCc2ccccc2C[NH3+])c1[N+](=O)[O-] ZINC001326582141 861460146 /nfs/dbraw/zinc/46/01/46/861460146.db2.gz MAKDUQGOHJEQCZ-UHFFFAOYSA-N 1 0 317.349 1.659 20 5 DDBDRO COC(=O)c1ccnc(NC[C@@H]2CCC[NH2+]C[C@@H]2C)c1[N+](=O)[O-] ZINC001155026824 861658997 /nfs/dbraw/zinc/65/89/97/861658997.db2.gz VUYOPCBWPZNKKN-QWRGUYRKSA-N 1 0 322.365 1.824 20 5 DDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](CC[NH3+])C(F)F ZINC001326906391 861703978 /nfs/dbraw/zinc/70/39/78/861703978.db2.gz FNOMZZRODWURRC-JTQLQIEISA-N 1 0 302.281 1.349 20 5 DDBDRO Cc1cc(C(=O)NCCC[NH2+]Cc2cccc([N+](=O)[O-])c2)[nH]n1 ZINC001155191298 861815447 /nfs/dbraw/zinc/81/54/47/861815447.db2.gz GPSLNZFVNDRWJW-UHFFFAOYSA-N 1 0 317.349 1.536 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)n1 ZINC001150120266 862099117 /nfs/dbraw/zinc/09/91/17/862099117.db2.gz UWVZJAYITBMNDV-YMTOWFKASA-N 1 0 304.350 1.511 20 5 DDBDRO O=[N+]([O-])c1cccc2ncnc(NC[C@]34C[NH2+]C[C@H]3COC4)c21 ZINC001155514399 862178493 /nfs/dbraw/zinc/17/84/93/862178493.db2.gz GGZJQXISSVTRFZ-BONVTDFDSA-N 1 0 315.333 1.186 20 5 DDBDRO O=[N+]([O-])c1cc(Cl)c(Cl)nc1N[C@H]1C[NH2+][C@@H]2CCO[C@@H]21 ZINC001155636673 862321027 /nfs/dbraw/zinc/32/10/27/862321027.db2.gz KWHSVILLJXZYPF-FJXKBIBVSA-N 1 0 319.148 1.838 20 5 DDBDRO CCOCCC(=O)NCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001155643217 862331916 /nfs/dbraw/zinc/33/19/16/862331916.db2.gz ANNOUKOPNZILHZ-UHFFFAOYSA-N 1 0 315.395 1.679 20 5 DDBDRO CCc1onc(C)c1C[NH2+]CCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001276001055 854124121 /nfs/dbraw/zinc/12/41/21/854124121.db2.gz DJIISVUGKYKAFT-DGCLKSJQSA-N 1 0 324.381 1.149 20 5 DDBDRO COCC[C@@H]1C[NH2+]CCN1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC001122311411 858747138 /nfs/dbraw/zinc/74/71/38/858747138.db2.gz AMFOGAVTODIWLG-NFBGWVBBSA-N 1 0 319.361 1.445 20 5 DDBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC001122492360 858850415 /nfs/dbraw/zinc/85/04/15/858850415.db2.gz MDPGTEOSGAWQOI-UHFFFAOYSA-N 1 0 307.350 1.227 20 5 DDBDRO Cc1cc(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])no1 ZINC001123187201 859121921 /nfs/dbraw/zinc/12/19/21/859121921.db2.gz XCGIPRYGRFCMLC-UHFFFAOYSA-N 1 0 304.306 1.411 20 5 DDBDRO C[C@@H]1C[C@@H]2CC[C@@H](C(=O)NCCn3cc([N+](=O)[O-])cn3)C[N@@H+]2C1 ZINC001123668800 859353190 /nfs/dbraw/zinc/35/31/90/859353190.db2.gz HIGHYNGCOLJXKA-UPJWGTAASA-N 1 0 321.381 1.028 20 5 DDBDRO Cc1c(C(=O)N2CC[C@](O)(C[NH+](C)C)C2)cccc1[N+](=O)[O-] ZINC001123854126 859441904 /nfs/dbraw/zinc/44/19/04/859441904.db2.gz WNUGFPGOQHERCI-HNNXBMFYSA-N 1 0 307.350 1.042 20 5 DDBDRO Cc1ncsc1C(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001124042529 859546170 /nfs/dbraw/zinc/54/61/70/859546170.db2.gz XCQIVCSAIBVYHP-UHFFFAOYSA-N 1 0 320.374 1.879 20 5 DDBDRO C[NH+]1CCC2(CCN(c3ccc([N+](=O)[O-])c(N)n3)CC2)CC1 ZINC001156576070 863159537 /nfs/dbraw/zinc/15/95/37/863159537.db2.gz JEFWUBWBJPUHEX-UHFFFAOYSA-N 1 0 305.382 1.884 20 5 DDBDRO CSc1nc(Cl)nc(N[C@H]2CC[N@H+](C)C2)c1[N+](=O)[O-] ZINC001156580762 863164872 /nfs/dbraw/zinc/16/48/72/863164872.db2.gz LKNQCYQVFPDFGI-LURJTMIESA-N 1 0 303.775 1.876 20 5 DDBDRO C[C@H]1CC[C@@H](NC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)C[NH2+]1 ZINC001328965486 863380407 /nfs/dbraw/zinc/38/04/07/863380407.db2.gz IQSSDTVSPLHKAA-GXFFZTMASA-N 1 0 304.350 1.761 20 5 DDBDRO CC/C(C)=C/C(=O)NCCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001157551035 863914848 /nfs/dbraw/zinc/91/48/48/863914848.db2.gz RGUMNSIWALUADS-DHZHZOJOSA-N 1 0 309.370 1.281 20 5 DDBDRO CC(F)(F)C(=O)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001154114604 864420808 /nfs/dbraw/zinc/42/08/08/864420808.db2.gz NNGJNPXFSPAQLE-UHFFFAOYSA-N 1 0 301.293 1.846 20 5 DDBDRO Cc1c[nH+]ccc1N1CCN(c2cc([N+](=O)[O-])cc[n+]2[O-])CC1 ZINC001158103901 864429555 /nfs/dbraw/zinc/42/95/55/864429555.db2.gz DVLPOHYMJZPFBS-UHFFFAOYSA-N 1 0 315.333 1.258 20 5 DDBDRO Cc1cnc(C[NH3+])n1-c1cc(/C=C/N(C)C)c([N+](=O)[O-])cn1 ZINC001158166525 864466092 /nfs/dbraw/zinc/46/60/92/864466092.db2.gz LYILZVCCYDHBQG-SNAWJCMRSA-N 1 0 302.338 1.475 20 5 DDBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CC[N@@H+]2CC[C@H]2C1 ZINC001158433927 864652172 /nfs/dbraw/zinc/65/21/72/864652172.db2.gz PUWMYHJYRPSINR-JTQLQIEISA-N 1 0 306.322 1.061 20 5 DDBDRO CCCCC(=O)[C@H](C)Nc1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001158619717 864762061 /nfs/dbraw/zinc/76/20/61/864762061.db2.gz MBYJBUXRBORADX-VIFPVBQESA-N 1 0 307.354 1.631 20 5 DDBDRO Cc1cc(N2C[C@@H]([NH3+])C3(COC3)C2)nc2ccc([N+](=O)[O-])cc12 ZINC001158765012 864890395 /nfs/dbraw/zinc/89/03/95/864890395.db2.gz RFIFVQRZKRNITH-CQSZACIVSA-N 1 0 314.345 1.615 20 5 DDBDRO C[C@@H](Nc1ccc2c(cccc2[N+](=O)[O-])n1)[C@H]1C[NH2+]CCO1 ZINC001159500681 865357093 /nfs/dbraw/zinc/35/70/93/865357093.db2.gz XBXPAYNVFKJOAW-QMTHXVAHSA-N 1 0 302.334 1.932 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]Cc2ccc3c(c2)CCC3)c1 ZINC001331962901 865464019 /nfs/dbraw/zinc/46/40/19/865464019.db2.gz PWGZGJWJTITTTK-INIZCTEOSA-N 1 0 316.361 1.431 20 5 DDBDRO COc1cnc(N[C@@H]2CC[NH2+]C[C@H]2C(F)(F)F)c([N+](=O)[O-])c1 ZINC001160743758 866093145 /nfs/dbraw/zinc/09/31/45/866093145.db2.gz YBXXXIWUMBSQRZ-RKDXNWHRSA-N 1 0 320.271 1.951 20 5 DDBDRO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1NC/C=C/C[NH3+] ZINC001160977355 866241888 /nfs/dbraw/zinc/24/18/88/866241888.db2.gz WIGKSSWIUCAZTJ-ONEGZZNKSA-N 1 0 314.729 1.747 20 5 DDBDRO C[C@@](CO)([NH2+]CC1CCC(O)CC1)c1cccc([N+](=O)[O-])c1 ZINC001333053553 866377509 /nfs/dbraw/zinc/37/75/09/866377509.db2.gz INEYITHPQWVXIK-MOQPWLNLSA-N 1 0 308.378 1.943 20 5 DDBDRO CCC1([NH3+])CCN(C(=O)c2cccc(OC)c2[N+](=O)[O-])CC1 ZINC001333253459 866563479 /nfs/dbraw/zinc/56/34/79/866563479.db2.gz BITJHNZUXNZFQE-UHFFFAOYSA-N 1 0 307.350 1.947 20 5 DDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@H]3CCn4ccnc4C3)C2)c1 ZINC001333372348 866680578 /nfs/dbraw/zinc/68/05/78/866680578.db2.gz VMXFUSOOOGKYGA-UNXYVOJBSA-N 1 0 302.338 1.296 20 5 DDBDRO CCN(CC[NH2+]CCC1=CCCCC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001320734381 866988971 /nfs/dbraw/zinc/98/89/71/866988971.db2.gz IHWAURWVEXUXCP-HUUCEWRRSA-N 1 0 309.410 1.980 20 5 DDBDRO O=[N+]([O-])c1cnc(N[C@@H]2C[C@]23CCCOC3)nc1C1C[NH2+]C1 ZINC001162380750 867501227 /nfs/dbraw/zinc/50/12/27/867501227.db2.gz LVGPZUMTMRPAMV-RISCZKNCSA-N 1 0 305.338 1.053 20 5 DDBDRO CC(=O)N1CCc2cc(-n3nccc3C[NH3+])cc([N+](=O)[O-])c21 ZINC001162597172 867668974 /nfs/dbraw/zinc/66/89/74/867668974.db2.gz FCKZLUUITTZSTG-UHFFFAOYSA-N 1 0 301.306 1.148 20 5 DDBDRO CCOC1(OCC)CC[NH2+]C[C@@H]1Nc1ccc([N+](=O)[O-])cn1 ZINC001162727306 867774266 /nfs/dbraw/zinc/77/42/66/867774266.db2.gz YSBJNJKXVJEBRP-LBPRGKRZSA-N 1 0 310.354 1.533 20 5 DDBDRO CC(C)(C)c1cnc(NC[C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)c([N+](=O)[O-])c1 ZINC001163094301 868087015 /nfs/dbraw/zinc/08/70/15/868087015.db2.gz KZCFMESPPCKKEW-MPKXVKKWSA-N 1 0 320.393 1.934 20 5 DDBDRO O=[N+]([O-])c1cnc2cccc(NCC[C@@H]3CCOC34C[NH2+]C4)n21 ZINC001163096049 868089616 /nfs/dbraw/zinc/08/96/16/868089616.db2.gz PFYWPCOSJHRVKV-LLVKDONJSA-N 1 0 317.349 1.423 20 5 DDBDRO CN1Cc2cc(NC[C@]34C[NH2+]C[C@H]3COC4)cc([N+](=O)[O-])c2N1 ZINC001163160267 868173873 /nfs/dbraw/zinc/17/38/73/868173873.db2.gz RLCIXUQCTVXGNV-NHYWBVRUSA-N 1 0 319.365 1.015 20 5 DDBDRO Cc1c[n+]([O-])c(N[C@@H]2C[NH2+]Cc3ccsc32)cc1[N+](=O)[O-] ZINC001163220747 868228718 /nfs/dbraw/zinc/22/87/18/868228718.db2.gz VFWIQPXLVIAHSZ-SNVBAGLBSA-N 1 0 306.347 1.855 20 5 DDBDRO COc1ncc([N+](=O)[O-])cc1NC[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001163278094 868301738 /nfs/dbraw/zinc/30/17/38/868301738.db2.gz GWCCPQZQYLNLOW-IAQYHMDHSA-N 1 0 322.365 1.569 20 5 DDBDRO C[C@H](C[N+](C)(C)C)Oc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC001226061701 882183542 /nfs/dbraw/zinc/18/35/42/882183542.db2.gz LKLXNDWQIGPHAZ-SNVBAGLBSA-N 1 0 317.387 1.472 20 5 DDBDRO COc1ncnc(N[C@@H]2CC[N@@H+](C(C)C)C[C@@H]2C)c1[N+](=O)[O-] ZINC001163361653 868396990 /nfs/dbraw/zinc/39/69/90/868396990.db2.gz JYHWABWIEFKTKG-WDEREUQCSA-N 1 0 309.370 1.924 20 5 DDBDRO C[C@@H](NC(=O)NC[C@@H]1CCC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC001335584274 868400620 /nfs/dbraw/zinc/40/06/20/868400620.db2.gz MPZOSDNIVVWPKM-VXGBXAGGSA-N 1 0 306.366 1.955 20 5 DDBDRO C[C@H](NC(=O)N[C@H]1C[NH2+]CC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC001336740678 869118561 /nfs/dbraw/zinc/11/85/61/869118561.db2.gz YCJZCUJQIKDWNZ-GWCFXTLKSA-N 1 0 306.366 1.953 20 5 DDBDRO O=C(NCCC1(C[NH2+]C/C=C\Cl)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001164494416 869231630 /nfs/dbraw/zinc/23/16/30/869231630.db2.gz IZDSWOIGSJHMTO-ZMYMIGOBSA-N 1 0 301.774 1.280 20 5 DDBDRO Cc1conc1C[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001164494840 869234429 /nfs/dbraw/zinc/23/44/29/869234429.db2.gz VEXGQEJPLMAYJB-DGCLKSJQSA-N 1 0 322.365 1.024 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC001337112010 869328901 /nfs/dbraw/zinc/32/89/01/869328901.db2.gz CGFKHVVRXFNWIU-SNVBAGLBSA-N 1 0 313.304 1.878 20 5 DDBDRO O=C(Cc1ccc(F)cc1[N+](=O)[O-])N[C@H]1C[NH+]2CCC1CC2 ZINC001337410121 869475955 /nfs/dbraw/zinc/47/59/55/869475955.db2.gz OLVXGUPMUOFCBY-ZDUSSCGKSA-N 1 0 307.325 1.487 20 5 DDBDRO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)COc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC001337836245 869651556 /nfs/dbraw/zinc/65/15/56/869651556.db2.gz OTYUDNUGSJGCBD-CQDKDKBSSA-N 1 0 319.361 1.430 20 5 DDBDRO O=C(N[C@H]1C[NH+]2CCC1CC2)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC001339140256 870364124 /nfs/dbraw/zinc/36/41/24/870364124.db2.gz HWASDFUWAQFSJD-HNNXBMFYSA-N 1 0 314.345 1.900 20 5 DDBDRO COc1cc2ncnc(N3C[C@@H]([NH3+])[C@@H](F)C3)c2cc1[N+](=O)[O-] ZINC001166928925 870389412 /nfs/dbraw/zinc/38/94/12/870389412.db2.gz YQNNFLYEAWLRJR-DTWKUNHWSA-N 1 0 307.285 1.032 20 5 DDBDRO COC(=O)c1cc(OC)c(O[C@H]2CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC001226431934 882429479 /nfs/dbraw/zinc/42/94/79/882429479.db2.gz VIXUEQXPOCFHKL-VIFPVBQESA-N 1 0 310.306 1.473 20 5 DDBDRO COCC[NH2+]CCNC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001340260500 870995165 /nfs/dbraw/zinc/99/51/65/870995165.db2.gz AJTKJZSINILHLO-ZIAGYGMSSA-N 1 0 307.350 1.051 20 5 DDBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)[C@H]3C[C@H]3F)c2)CC1 ZINC001340880124 871407780 /nfs/dbraw/zinc/40/77/80/871407780.db2.gz DHFLEJQMWDNEQQ-NWDGAFQWSA-N 1 0 322.340 1.643 20 5 DDBDRO COc1ccc(CC(=O)NCC[C@@H]2C[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC001341013186 871465051 /nfs/dbraw/zinc/46/50/51/871465051.db2.gz FYDJQNGODLUIOX-DGCLKSJQSA-N 1 0 321.377 1.508 20 5 DDBDRO COc1cc(C(=O)N2CCC[C@@H]3CC[C@]32C[NH3+])ccc1[N+](=O)[O-] ZINC001341439615 871661451 /nfs/dbraw/zinc/66/14/51/871661451.db2.gz IWVNQNBPNVFXKN-WBMJQRKESA-N 1 0 319.361 1.947 20 5 DDBDRO C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC001318454674 872065643 /nfs/dbraw/zinc/06/56/43/872065643.db2.gz TXOVAWXMLCACHB-OLZOCXBDSA-N 1 0 306.366 1.780 20 5 DDBDRO C[C@H](CNC(=O)C[NH2+]C[C@H]1CCCO1)c1ccccc1[N+](=O)[O-] ZINC001342831676 872404986 /nfs/dbraw/zinc/40/49/86/872404986.db2.gz HQZXVIXHYLNQKL-CHWSQXEVSA-N 1 0 321.377 1.583 20 5 DDBDRO CN1CC[NH+](CCCO[C@H](C[N+](=O)[O-])c2cccnc2)CC1 ZINC001206591221 872459646 /nfs/dbraw/zinc/45/96/46/872459646.db2.gz RCUIEJWSOZTIAU-OAHLLOKOSA-N 1 0 308.382 1.054 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@@H]3CCCC[C@H]3C2)c1 ZINC001319181581 872481717 /nfs/dbraw/zinc/48/17/17/872481717.db2.gz MKZCNYDJRIZNDQ-KCQAQPDRSA-N 1 0 308.382 1.664 20 5 DDBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001343074687 872491422 /nfs/dbraw/zinc/49/14/22/872491422.db2.gz YXNHKXCGWNZOAA-JIMOISOXSA-N 1 0 307.375 1.696 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCC2(C[NH2+]C2)CC1 ZINC001343945034 872816708 /nfs/dbraw/zinc/81/67/08/872816708.db2.gz KNXWDOKSQVYVNF-UHFFFAOYSA-N 1 0 318.377 1.486 20 5 DDBDRO CC(C)(C(=O)N1CC[C@]2(C1)CCCC[NH2+]2)n1cc([N+](=O)[O-])cn1 ZINC001345138712 873267700 /nfs/dbraw/zinc/26/77/00/873267700.db2.gz HZFYEDNAQPGUMO-HNNXBMFYSA-N 1 0 321.381 1.271 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cc(=O)oc2ccccc12 ZINC001227515839 883052149 /nfs/dbraw/zinc/05/21/49/883052149.db2.gz XCCVRZFQJKRMON-LLVKDONJSA-N 1 0 306.338 1.156 20 5 DDBDRO CCC1([NH3+])CCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])CC1 ZINC001353136281 877142104 /nfs/dbraw/zinc/14/21/04/877142104.db2.gz AWMVWPRHBCGFRH-UHFFFAOYSA-N 1 0 320.393 1.761 20 5 DDBDRO CC[N@@H+]1CC[C@H](N(C)c2nnc(CCC[N+](=O)[O-])n2C)[C@H](C)C1 ZINC001355391968 878533276 /nfs/dbraw/zinc/53/32/76/878533276.db2.gz NSEGMRIUYCCROB-OLZOCXBDSA-N 1 0 324.429 1.191 20 5 DDBDRO CCn1c([C@H](C)[N+](=O)[O-])nnc1N1CC[NH+](C(C)(C)CC)CC1 ZINC001356353198 879010250 /nfs/dbraw/zinc/01/02/50/879010250.db2.gz YLMMCRZHHMKNTM-LBPRGKRZSA-N 1 0 324.429 1.946 20 5 DDBDRO C[C@H](CC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)[S@@](C)=O ZINC001356627620 879136519 /nfs/dbraw/zinc/13/65/19/879136519.db2.gz ALGXWBFFVFDHMG-REWMRKHYSA-N 1 0 300.380 1.375 20 5 DDBDRO C[C@H](CC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)[S@](C)=O ZINC001356627618 879136660 /nfs/dbraw/zinc/13/66/60/879136660.db2.gz ALGXWBFFVFDHMG-MZJFNTNISA-N 1 0 300.380 1.375 20 5 DDBDRO C[C@H]1C[C@H](NC(=O)CCc2cc(F)ccc2[N+](=O)[O-])CC[NH2+]1 ZINC001357457704 879976201 /nfs/dbraw/zinc/97/62/01/879976201.db2.gz NZTWRPIGPVXBMS-GXFFZTMASA-N 1 0 309.341 1.923 20 5 DDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)NCC[C@@H]1CSCC[NH2+]1 ZINC001357658347 880123116 /nfs/dbraw/zinc/12/31/16/880123116.db2.gz AFJFIVBLMRSMQX-GFCCVEGCSA-N 1 0 309.391 1.349 20 5 DDBDRO COC(=O)c1c(CO[C@H](C)C[N+](C)(C)C)cccc1[N+](=O)[O-] ZINC001223294661 880909440 /nfs/dbraw/zinc/90/94/40/880909440.db2.gz NFRKFXDBFFSVTD-LLVKDONJSA-N 1 0 311.358 1.993 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1nnc(Cl)c2ccccc21 ZINC001228277830 883416849 /nfs/dbraw/zinc/41/68/49/883416849.db2.gz MKAACTYGJTXFLY-SNVBAGLBSA-N 1 0 324.788 1.646 20 5 DDBDRO COc1ccc2ncnc(OC(=O)C[C@@H](O)C[N+](C)(C)C)c2c1 ZINC001228865272 883705074 /nfs/dbraw/zinc/70/50/74/883705074.db2.gz RZZLYDSSESTPTI-LLVKDONJSA-N 1 0 320.369 1.001 20 5 DDBDRO C[NH+](C)Cc1ccccc1O[C@@H]1COc2nc([N+](=O)[O-])cn2C1 ZINC001229701680 884118122 /nfs/dbraw/zinc/11/81/22/884118122.db2.gz MAIOPZYFKHNFIF-LBPRGKRZSA-N 1 0 318.333 1.693 20 5 DDBDRO CO[C@@H]1CC[N@H+](CCOc2cc([N+](=O)[O-])ccc2NC(C)=O)C1 ZINC001230251452 884390385 /nfs/dbraw/zinc/39/03/85/884390385.db2.gz VDYGPZJGXWSNDD-CYBMUJFWSA-N 1 0 323.349 1.653 20 5 DDBDRO COc1cc2c(c(OC(=O)C[C@@H](O)C[N+](C)(C)C)c1)C(=O)CC2 ZINC001230540812 884555161 /nfs/dbraw/zinc/55/51/61/884555161.db2.gz FUIUVMYAEBQAAO-GFCCVEGCSA-N 1 0 322.381 1.187 20 5 DDBDRO C[C@@H](C[N+](C)(C)C)Oc1nc(=O)[nH]cc1[C@H]1CCCC(=O)C1 ZINC001231380618 885581403 /nfs/dbraw/zinc/58/14/03/885581403.db2.gz NDQUNVQDKGPASA-RYUDHWBXSA-O 1 0 308.402 1.882 20 5 DDBDRO CO[C@@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2[N+](=O)[O-])C1 ZINC001233579208 887122213 /nfs/dbraw/zinc/12/22/13/887122213.db2.gz ZYUMAINRKIEPRP-SNVBAGLBSA-N 1 0 311.294 1.603 20 5 DDBDRO [NH3+]CCS(=O)(=O)Nc1cc2cccnc2c2ncccc12 ZINC001237699756 889814412 /nfs/dbraw/zinc/81/44/12/889814412.db2.gz RQEDBHQNVITEIC-UHFFFAOYSA-N 1 0 302.359 1.483 20 5 DDBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@H]2C[C@@H]3CC[C@H]2[NH2+]3)n1 ZINC001247632298 893265914 /nfs/dbraw/zinc/26/59/14/893265914.db2.gz OLWBUDWKWSVMRG-XHNCKOQMSA-N 1 0 305.269 1.787 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3CCN4CC[C@@H]4C3)CC2)cc1 ZINC001254482430 896456537 /nfs/dbraw/zinc/45/65/37/896456537.db2.gz JBPJWJPOXQLQSU-QGZVFWFLSA-N 1 0 316.405 1.954 20 5 DDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1(N2CCCC2)COC1 ZINC001254538209 896494398 /nfs/dbraw/zinc/49/43/98/896494398.db2.gz RJQDKYSNXQAJHY-AWEZNQCLSA-N 1 0 319.405 1.980 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCC(NC(N)=O)CC1 ZINC001254550046 896498204 /nfs/dbraw/zinc/49/82/04/896498204.db2.gz BZAHDKMHPXKNTQ-LLVKDONJSA-N 1 0 306.366 1.659 20 5 DDBDRO CN(C)C(=O)C1([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCC1 ZINC001254588334 896519148 /nfs/dbraw/zinc/51/91/48/896519148.db2.gz DLBXKIYMASLWFF-CYBMUJFWSA-N 1 0 303.362 1.663 20 5 DDBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001262565529 900247264 /nfs/dbraw/zinc/24/72/64/900247264.db2.gz NZYLRGMYYDGQDB-KWCYVHTRSA-N 1 0 304.350 1.329 20 5 DDBDRO CC1(C)C[NH2+]C[C@H]1NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC001263240963 900546408 /nfs/dbraw/zinc/54/64/08/900546408.db2.gz YLLRVAJZUSCSOV-CYBMUJFWSA-N 1 0 306.366 1.511 20 5 DDBDRO CC[N@@H+]1CCN(c2nnc([C@H](C)[N+](=O)[O-])n2CC(C)C)C[C@@H]1C ZINC001263415598 900605219 /nfs/dbraw/zinc/60/52/19/900605219.db2.gz HFMFGEIQCCKOEG-STQMWFEESA-N 1 0 324.429 1.802 20 5 DDBDRO C[C@H](CC[NH+]1CCCC1)OC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC001263659089 900664100 /nfs/dbraw/zinc/66/41/00/900664100.db2.gz DSOZVGYRXHRNOJ-GFCCVEGCSA-N 1 0 310.354 1.599 20 5 DDBDRO C[N@H+](CCCNC(=O)c1ncc[nH]1)Cc1cccc([N+](=O)[O-])c1 ZINC001264983557 901390234 /nfs/dbraw/zinc/39/02/34/901390234.db2.gz GCQAULCVXOQKJP-UHFFFAOYSA-N 1 0 317.349 1.570 20 5 DDBDRO COCCC(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001316625588 907138437 /nfs/dbraw/zinc/13/84/37/907138437.db2.gz WEHXXDVGZGAPLM-HDJSIYSDSA-N 1 0 321.377 1.616 20 5 DDBDRO O=c1[nH]ccc(N2CCC[C@H]([NH2+]C3CCOCC3)C2)c1[N+](=O)[O-] ZINC001307199645 916086384 /nfs/dbraw/zinc/08/63/84/916086384.db2.gz YFGLQKNIALBUAA-LBPRGKRZSA-N 1 0 322.365 1.433 20 5 DDBDRO CCS(=O)(=O)CC[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000163496115 197634293 /nfs/dbraw/zinc/63/42/93/197634293.db2.gz BXRHUZJIFKILEP-NSHDSACASA-N 1 0 300.380 1.989 20 5 DDBDRO CCc1n[nH]c(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000278571655 214244671 /nfs/dbraw/zinc/24/46/71/214244671.db2.gz KNSRYTXLAWUNOK-VHSXEESVSA-N 1 0 309.370 1.435 20 5 DDBDRO Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2CCCO)cc1[N+](=O)[O-] ZINC000452351190 231356806 /nfs/dbraw/zinc/35/68/06/231356806.db2.gz PHCQTEBMJXTKMZ-CQSZACIVSA-N 1 0 321.377 1.480 20 5 DDBDRO C[N@@H+]1CCC[C@@H]2CN(CCn3cc([N+](=O)[O-])ccc3=O)CC[C@@H]21 ZINC000090552603 185303004 /nfs/dbraw/zinc/30/30/04/185303004.db2.gz IHEYZFTXTUANNS-HIFRSBDPSA-N 1 0 320.393 1.173 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1CN1CC[N@H+](CCO)C(C)(C)C1 ZINC000615140571 362170515 /nfs/dbraw/zinc/17/05/15/362170515.db2.gz XXQZPPDLHJYDPK-UHFFFAOYSA-N 1 0 307.394 1.792 20 5 DDBDRO CN(CC[N@H+](C)C1CC1)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444675804 529903298 /nfs/dbraw/zinc/90/32/98/529903298.db2.gz SBADEHDCSNDULX-UHFFFAOYSA-N 1 0 303.366 1.997 20 5 DDBDRO Cc1cc(C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)cc([N+](=O)[O-])c1 ZINC000106818124 185453529 /nfs/dbraw/zinc/45/35/29/185453529.db2.gz NWRMNEDIQQFKIQ-ZDUSSCGKSA-N 1 0 320.393 1.269 20 5 DDBDRO C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H](CO)CC(C)(C)C ZINC000451774889 529984322 /nfs/dbraw/zinc/98/43/22/529984322.db2.gz CBFYXXULPDIKRG-CYBMUJFWSA-N 1 0 323.393 1.923 20 5 DDBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000491889107 530057036 /nfs/dbraw/zinc/05/70/36/530057036.db2.gz UURSUSVHMRGDDF-VUDGCMKMSA-N 1 0 307.325 1.958 20 5 DDBDRO COc1cc(C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)cc([N+](=O)[O-])c1OC ZINC000277699224 213700156 /nfs/dbraw/zinc/70/01/56/213700156.db2.gz WAEKOBZPQUOKJO-MWLCHTKSSA-N 1 0 323.349 1.340 20 5 DDBDRO CC1(C)C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1O ZINC000279708060 215079365 /nfs/dbraw/zinc/07/93/65/215079365.db2.gz HRPSJSAVIJIJMO-JSGCOSHPSA-N 1 0 310.350 1.037 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000319936214 290819006 /nfs/dbraw/zinc/81/90/06/290819006.db2.gz AIPMETJSZZMNED-NXEZZACHSA-N 1 0 301.368 1.307 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[N@@H+](CCCO)Cc2ccccn2)c1 ZINC000287121229 219328682 /nfs/dbraw/zinc/32/86/82/219328682.db2.gz XGCLOARETBFHME-UHFFFAOYSA-N 1 0 305.338 1.071 20 5 DDBDRO CN(C(=O)CNc1ccccc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000171534864 186171361 /nfs/dbraw/zinc/17/13/61/186171361.db2.gz MZOKYMNTXWDSFJ-UHFFFAOYSA-N 1 0 306.366 1.559 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000617352630 363066908 /nfs/dbraw/zinc/06/69/08/363066908.db2.gz JAILZQAVGAUBSM-GFCCVEGCSA-N 1 0 319.361 1.818 20 5 DDBDRO C[NH+](C)[C@H](CNC(=O)Cn1ccc([N+](=O)[O-])n1)c1ccsc1 ZINC000043286506 352365042 /nfs/dbraw/zinc/36/50/42/352365042.db2.gz HLKWKDLIPXALJN-LLVKDONJSA-N 1 0 323.378 1.272 20 5 DDBDRO COCC[NH+]1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000051624967 352591186 /nfs/dbraw/zinc/59/11/86/352591186.db2.gz KJTTWRTWTYHIRA-UHFFFAOYSA-N 1 0 309.366 1.238 20 5 DDBDRO CC[NH+]1CCN(C[C@@H](C)CNc2ncccc2[N+](=O)[O-])CC1 ZINC000060380155 352870064 /nfs/dbraw/zinc/87/00/64/352870064.db2.gz QZPMGUFITOETSL-ZDUSSCGKSA-N 1 0 307.398 1.675 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000065892030 352967731 /nfs/dbraw/zinc/96/77/31/352967731.db2.gz KVLSOTTXTCJKNJ-VXGBXAGGSA-N 1 0 323.397 1.336 20 5 DDBDRO O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1cc([N+](=O)[O-])c[nH]1 ZINC000331899046 234252606 /nfs/dbraw/zinc/25/26/06/234252606.db2.gz YORRHUVEKZXGBW-NSHDSACASA-N 1 0 322.365 1.154 20 5 DDBDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000067633346 353059472 /nfs/dbraw/zinc/05/94/72/353059472.db2.gz KHKUUAABIIENTH-ZDUSSCGKSA-N 1 0 305.378 1.984 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000068486295 353115040 /nfs/dbraw/zinc/11/50/40/353115040.db2.gz PBGFSQMVGYBMMQ-GFCCVEGCSA-N 1 0 307.350 1.770 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C)[NH+]2CCCC2)c1 ZINC000068064380 353084713 /nfs/dbraw/zinc/08/47/13/353084713.db2.gz LYFIIYGDAITWQN-LLVKDONJSA-N 1 0 307.350 1.818 20 5 DDBDRO C[NH+](C)[C@H]1CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000277139937 213320766 /nfs/dbraw/zinc/32/07/66/213320766.db2.gz HNGLOUJPDSJASD-NSHDSACASA-N 1 0 324.356 1.872 20 5 DDBDRO CCc1ccc(C(=O)NCCN2CCOCC2)cc1[N+](=O)[O-] ZINC000174000381 198279856 /nfs/dbraw/zinc/27/98/56/198279856.db2.gz XEWZINCPUHBJOD-UHFFFAOYSA-N 1 0 307.350 1.219 20 5 DDBDRO Cc1n[nH]c(C(=O)NCCC[NH+](C(C)C)C(C)C)c1[N+](=O)[O-] ZINC000074334405 353307288 /nfs/dbraw/zinc/30/72/88/353307288.db2.gz CQQCGACIYPNVTB-UHFFFAOYSA-N 1 0 311.386 1.865 20 5 DDBDRO C[C@@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC000096693986 353916110 /nfs/dbraw/zinc/91/61/10/353916110.db2.gz MTCGYWQQGPMEME-NSHDSACASA-N 1 0 313.379 1.357 20 5 DDBDRO Cc1ccc(S(=O)(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000125098653 354043967 /nfs/dbraw/zinc/04/39/67/354043967.db2.gz XRQMKIILRMXRDT-WDEREUQCSA-N 1 0 313.379 1.451 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)NCCCn2ccnc2)c1 ZINC000145316622 354157050 /nfs/dbraw/zinc/15/70/50/354157050.db2.gz UYUVYMBTCZZEDA-UHFFFAOYSA-N 1 0 304.306 1.620 20 5 DDBDRO C[NH+](C)[C@H]1CC[C@H](NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000332233684 234685119 /nfs/dbraw/zinc/68/51/19/234685119.db2.gz NHRXSTNEJUEKCJ-QWRGUYRKSA-N 1 0 321.333 1.536 20 5 DDBDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000176898194 198634438 /nfs/dbraw/zinc/63/44/38/198634438.db2.gz GFVPFFSKOZBSQT-LBPRGKRZSA-N 1 0 324.381 1.264 20 5 DDBDRO CC[NH+]1CCC(CNc2nc(C(=O)OC)ccc2[N+](=O)[O-])CC1 ZINC000322638739 354538306 /nfs/dbraw/zinc/53/83/06/354538306.db2.gz UXIYYVYGIPKGBU-UHFFFAOYSA-N 1 0 322.365 1.920 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2CCCc3sccc32)c1 ZINC000315531645 354494797 /nfs/dbraw/zinc/49/47/97/354494797.db2.gz HDFADFVJGBEWIW-DGCLKSJQSA-N 1 0 322.390 1.881 20 5 DDBDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])n2C)C[C@@H](C)C1 ZINC000346231299 283035061 /nfs/dbraw/zinc/03/50/61/283035061.db2.gz OBROETMBQSTOQC-OBJOEFQTSA-N 1 0 320.393 1.736 20 5 DDBDRO O=[N+]([O-])c1cccc2c(N3CC[N@@H+]4C[C@H](O)C[C@H]4C3)ccnc21 ZINC000405214651 354677362 /nfs/dbraw/zinc/67/73/62/354677362.db2.gz JMRTZJZNIUVNND-NWDGAFQWSA-N 1 0 314.345 1.398 20 5 DDBDRO O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000493677389 234897375 /nfs/dbraw/zinc/89/73/75/234897375.db2.gz UNGKMRIQCAMURI-POFUSTEDSA-N 1 0 319.336 1.958 20 5 DDBDRO C[C@@H]1CCCC[N@@H+]1CCNc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000587224639 354881916 /nfs/dbraw/zinc/88/19/16/354881916.db2.gz VKJPLZDNZVKUQO-LLVKDONJSA-N 1 0 308.382 1.956 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000587390498 354882515 /nfs/dbraw/zinc/88/25/15/354882515.db2.gz YPOCXEICBDKQSK-QWRGUYRKSA-N 1 0 305.334 1.345 20 5 DDBDRO C[C@@H](NC(=O)c1c[nH]nc1[N+](=O)[O-])[C@H](c1ccccc1)[NH+](C)C ZINC000588683520 354928573 /nfs/dbraw/zinc/92/85/73/354928573.db2.gz KTJAEZAPSSJIGT-ZWNOBZJWSA-N 1 0 317.349 1.739 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)N[C@@H]2CCC[C@H]2[NH+](C)C)c1[N+](=O)[O-] ZINC000590335052 355073503 /nfs/dbraw/zinc/07/35/03/355073503.db2.gz SDCRTXJVPREDIJ-NXEZZACHSA-N 1 0 309.370 1.654 20 5 DDBDRO C[C@@H](CCCO)C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000590655157 355138659 /nfs/dbraw/zinc/13/86/59/355138659.db2.gz BAQCYBSOHLTTKE-NSHDSACASA-N 1 0 310.350 1.864 20 5 DDBDRO CN1C[C@H]2[C@@H](CC[N@@H+]2CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000591037767 355236733 /nfs/dbraw/zinc/23/67/33/355236733.db2.gz ZMZDFWANZDYMPK-WFASDCNBSA-N 1 0 318.377 1.559 20 5 DDBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000591348270 355294205 /nfs/dbraw/zinc/29/42/05/355294205.db2.gz IWVYMWGASUTKET-TZMCWYRMSA-N 1 0 304.350 1.488 20 5 DDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000591353346 355296532 /nfs/dbraw/zinc/29/65/32/355296532.db2.gz XHNRKZJBXVIWSW-OCCSQVGLSA-N 1 0 318.377 1.531 20 5 DDBDRO [NH3+]C1(CNC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)CCC1 ZINC000591360080 355301062 /nfs/dbraw/zinc/30/10/62/355301062.db2.gz IEIBGUQDVGOQSQ-UHFFFAOYSA-N 1 0 304.350 1.544 20 5 DDBDRO O=c1[nH]c(N2CC[C@H]3CC[NH2+][C@@H]3C2)nc2ccc([N+](=O)[O-])cc21 ZINC000591437391 355310581 /nfs/dbraw/zinc/31/05/81/355310581.db2.gz GYCKEXJKHRLMDY-NOZJJQNGSA-N 1 0 315.333 1.432 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]Cc2ccc(Cl)o2)c1 ZINC000591725343 355372207 /nfs/dbraw/zinc/37/22/07/355372207.db2.gz QZXBJARWKZRVRB-SECBINFHSA-N 1 0 300.702 1.188 20 5 DDBDRO C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C[C@H]1[NH+](C)C ZINC000332645762 235236317 /nfs/dbraw/zinc/23/63/17/235236317.db2.gz LHPXRXDDYHCSNC-RKDXNWHRSA-N 1 0 319.408 1.227 20 5 DDBDRO C[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CCCCO1 ZINC000591759272 355378724 /nfs/dbraw/zinc/37/87/24/355378724.db2.gz YOENJRLHGQOGNJ-JGGQBBKZSA-N 1 0 324.377 1.882 20 5 DDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000591669569 355357600 /nfs/dbraw/zinc/35/76/00/355357600.db2.gz ZECXHMHUBNHOSU-NSHDSACASA-N 1 0 313.304 1.798 20 5 DDBDRO CCc1nn(C)c(N2CCOC3(CC[NH+](C)CC3)C2)c1[N+](=O)[O-] ZINC000591990872 355455386 /nfs/dbraw/zinc/45/53/86/355455386.db2.gz FMPYSZXGVXGENN-UHFFFAOYSA-N 1 0 323.397 1.192 20 5 DDBDRO CC[C@@H]1CN(C(=O)COc2cccc([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000592332036 355560948 /nfs/dbraw/zinc/56/09/48/355560948.db2.gz SLVNUTXPHSMRMG-BXUZGUMPSA-N 1 0 307.350 1.559 20 5 DDBDRO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000592209140 355539452 /nfs/dbraw/zinc/53/94/52/355539452.db2.gz VKGULDRGKUIRCK-OUCADQQQSA-N 1 0 322.361 1.820 20 5 DDBDRO Cc1n[nH]c(C(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC000592256116 355548249 /nfs/dbraw/zinc/54/82/49/355548249.db2.gz ZJMFTGMECAGLEG-WDEREUQCSA-N 1 0 307.354 1.088 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C[C@@H](O)C1CCC1 ZINC000592432737 355582081 /nfs/dbraw/zinc/58/20/81/355582081.db2.gz UQJLDWJYTIWONV-GXTWGEPZSA-N 1 0 310.350 1.085 20 5 DDBDRO CCCc1n[nH]c(C(=O)N[C@@H]2CC[NH2+]C3(CCC3)C2)c1[N+](=O)[O-] ZINC000592567963 355631955 /nfs/dbraw/zinc/63/19/55/355631955.db2.gz GVOORJIUFLCFOR-SNVBAGLBSA-N 1 0 321.381 1.675 20 5 DDBDRO CN(CC[NH+]1CCCCC1)c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000593518050 355911764 /nfs/dbraw/zinc/91/17/64/355911764.db2.gz XEINWHWEKNOGMY-UHFFFAOYSA-N 1 0 304.354 1.560 20 5 DDBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000593679320 355964700 /nfs/dbraw/zinc/96/47/00/355964700.db2.gz KQCICCCUHHGJTF-SDSFWRRZSA-N 1 0 317.389 1.749 20 5 DDBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H](CO)CCF ZINC000593688611 355967292 /nfs/dbraw/zinc/96/72/92/355967292.db2.gz XHEHMHBZZILLLJ-PWSUYJOCSA-N 1 0 313.329 1.622 20 5 DDBDRO COc1cc(C[NH2+][C@H](CO)CCF)c([N+](=O)[O-])cc1OC ZINC000593688280 355967717 /nfs/dbraw/zinc/96/77/17/355967717.db2.gz FJKSTLCBENAQCV-JTQLQIEISA-N 1 0 302.302 1.422 20 5 DDBDRO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)COc1ccccc1[N+](=O)[O-])C2 ZINC000593914347 356057415 /nfs/dbraw/zinc/05/74/15/356057415.db2.gz JLZQQIXITAYXSF-LRDDRELGSA-N 1 0 319.361 1.561 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](C)[C@H]2CC[NH3+])n1 ZINC000593914219 356057489 /nfs/dbraw/zinc/05/74/89/356057489.db2.gz BEIQIFJPXFVLSR-GHMZBOCLSA-N 1 0 309.370 1.401 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C[NH3+])C(F)(F)F)c1 ZINC000594451323 356221643 /nfs/dbraw/zinc/22/16/43/356221643.db2.gz KGQYQLWZHIZOJB-VIFPVBQESA-N 1 0 307.228 1.223 20 5 DDBDRO [NH3+]C[C@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000594450693 356221707 /nfs/dbraw/zinc/22/17/07/356221707.db2.gz QDZZLPGFIDZMJQ-JTQLQIEISA-N 1 0 305.256 1.533 20 5 DDBDRO [NH3+]C[C@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)C(F)(F)F ZINC000594450986 356222018 /nfs/dbraw/zinc/22/20/18/356222018.db2.gz ANGCHWFKUNJMCV-JTQLQIEISA-N 1 0 317.223 1.960 20 5 DDBDRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000594404033 356199237 /nfs/dbraw/zinc/19/92/37/356199237.db2.gz QHMFGXAIARLARL-TXEJJXNPSA-N 1 0 306.366 1.463 20 5 DDBDRO C[C@H](NC(=O)N[C@@H](C[NH3+])C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000594524934 356243099 /nfs/dbraw/zinc/24/30/99/356243099.db2.gz NQKPAUOFJWAZCY-XVKPBYJWSA-N 1 0 320.271 1.845 20 5 DDBDRO C[C@@H](CCNS(=O)(=O)Cc1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000594821152 356327394 /nfs/dbraw/zinc/32/73/94/356327394.db2.gz JCDKKMYCCSDCFK-NSHDSACASA-N 1 0 315.395 1.354 20 5 DDBDRO CCC[N@H+](CC)CCNS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594760355 356309593 /nfs/dbraw/zinc/30/95/93/356309593.db2.gz MFKZGYNNQGLVDU-UHFFFAOYSA-N 1 0 316.383 1.000 20 5 DDBDRO COCCN(C)CC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595042032 356375996 /nfs/dbraw/zinc/37/59/96/356375996.db2.gz SKKCGTXMLCFPNS-GFCCVEGCSA-N 1 0 311.382 1.832 20 5 DDBDRO O=C1CC[C@@H](C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)N1 ZINC000595088777 356381252 /nfs/dbraw/zinc/38/12/52/356381252.db2.gz CYVOJQIGSRXLCY-UONOGXRCSA-N 1 0 303.362 1.784 20 5 DDBDRO CCOC[C@H]1CC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000081519637 192278011 /nfs/dbraw/zinc/27/80/11/192278011.db2.gz KPDAHCKUEZWXIY-ZDUSSCGKSA-N 1 0 321.377 1.916 20 5 DDBDRO O=[N+]([O-])c1cnc(N2CCC[C@@H]([NH+]3CCOCC3)CC2)c(F)c1 ZINC000565224596 304055020 /nfs/dbraw/zinc/05/50/20/304055020.db2.gz JJUYVJBNLGIRLB-GFCCVEGCSA-N 1 0 324.356 1.820 20 5 DDBDRO O=c1[n-]c([C@@H]2CCCN(Cc3ccc(F)cc3[N+](=O)[O-])C2)n[nH]1 ZINC000595496822 356518746 /nfs/dbraw/zinc/51/87/46/356518746.db2.gz IXNVZGKAHUJHOP-SNVBAGLBSA-N 1 0 321.312 1.937 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000595608365 356575332 /nfs/dbraw/zinc/57/53/32/356575332.db2.gz OJXSQDBYFBBZJM-GFCCVEGCSA-N 1 0 317.349 1.717 20 5 DDBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000595608845 356575731 /nfs/dbraw/zinc/57/57/31/356575731.db2.gz XJRAZMVJFXZACX-ZDUSSCGKSA-N 1 0 317.349 1.587 20 5 DDBDRO O=C1CC[C@H]2C[N@H+](CCc3ccc([N+](=O)[O-])cc3)CC[C@H]2N1 ZINC000595744987 356632373 /nfs/dbraw/zinc/63/23/73/356632373.db2.gz XPLWGVKCKBYEPX-DZGCQCFKSA-N 1 0 303.362 1.738 20 5 DDBDRO C[C@]12COC[C@H]1C[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C2 ZINC000595754986 356637465 /nfs/dbraw/zinc/63/74/65/356637465.db2.gz DOMQTFNESKNIKO-XPKDYRNWSA-N 1 0 322.361 1.303 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2C[C@@H]3COC[C@]3(C)C2)c1 ZINC000595761072 356642004 /nfs/dbraw/zinc/64/20/04/356642004.db2.gz WNUKVDSDRIPXAG-CJNGLKHVSA-N 1 0 320.345 1.850 20 5 DDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000595833836 356670427 /nfs/dbraw/zinc/67/04/27/356670427.db2.gz RZRUGRHRWBHWCM-UPJWGTAASA-N 1 0 319.361 1.890 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CC[C@H]3COC[C@H]3C2)c1 ZINC000595826596 356665884 /nfs/dbraw/zinc/66/58/84/356665884.db2.gz AWPAMPVMNJOSFM-GZBFAFLISA-N 1 0 322.361 1.303 20 5 DDBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CNC1(CO)CC[NH2+]CC1 ZINC000595897510 356695799 /nfs/dbraw/zinc/69/57/99/356695799.db2.gz ZTHJPVOYHCSUAD-UHFFFAOYSA-N 1 0 323.393 1.586 20 5 DDBDRO C[NH2+]C[C@H](C)NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000595983050 356735212 /nfs/dbraw/zinc/73/52/12/356735212.db2.gz MXZUHODBCWOIEG-JTQLQIEISA-N 1 0 303.322 1.118 20 5 DDBDRO NC(=O)c1cc(NC[C@H]2CC[N@@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000596078990 356765027 /nfs/dbraw/zinc/76/50/27/356765027.db2.gz HQGIEBOYCROUBX-SNVBAGLBSA-N 1 0 304.350 1.590 20 5 DDBDRO CC[N@@H+]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H]1C ZINC000618288413 363567600 /nfs/dbraw/zinc/56/76/00/363567600.db2.gz GFIDKOXNXDTACC-NSHDSACASA-N 1 0 303.366 1.997 20 5 DDBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596151944 356792676 /nfs/dbraw/zinc/79/26/76/356792676.db2.gz MYSZBNFUPDOZAV-MFKMUULPSA-N 1 0 306.366 1.470 20 5 DDBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2c2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596166796 356799514 /nfs/dbraw/zinc/79/95/14/356799514.db2.gz WQOGNJRHMGBWAQ-SMDDNHRTSA-N 1 0 318.377 1.614 20 5 DDBDRO C[NH+](C)C[C@@H](CO)Nc1c(Br)cccc1[N+](=O)[O-] ZINC000596240901 356829149 /nfs/dbraw/zinc/82/91/49/356829149.db2.gz BLKKDSKJUJWSMU-QMMMGPOBSA-N 1 0 318.171 1.692 20 5 DDBDRO C[NH+](C)CCC[C@H]1CN(c2ccc(N)c([N+](=O)[O-])n2)CCO1 ZINC000596564090 356917857 /nfs/dbraw/zinc/91/78/57/356917857.db2.gz BXHVKOYNIFZKBL-NSHDSACASA-N 1 0 309.370 1.119 20 5 DDBDRO Cc1ccnc(N2CCO[C@@H](CCC[NH+](C)C)C2)c1[N+](=O)[O-] ZINC000596565146 356918549 /nfs/dbraw/zinc/91/85/49/356918549.db2.gz BWBBIGXCMLADGT-ZDUSSCGKSA-N 1 0 308.382 1.845 20 5 DDBDRO COc1cc(OCC(=O)NC2(C[NH3+])CCCC2)ccc1[N+](=O)[O-] ZINC000237226112 202195602 /nfs/dbraw/zinc/19/56/02/202195602.db2.gz SVERNTQRNLNZJZ-UHFFFAOYSA-N 1 0 323.349 1.370 20 5 DDBDRO CCC[N@@H+]1CC[C@@H](Nc2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])C1 ZINC000596516252 356903431 /nfs/dbraw/zinc/90/34/31/356903431.db2.gz DEVOUTZVPPXMLU-LLVKDONJSA-N 1 0 322.365 1.981 20 5 DDBDRO CCCN(CC[NH+]1CCCC1)c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000291107093 283244191 /nfs/dbraw/zinc/24/41/91/283244191.db2.gz LBOBDKDUKOCGJR-UHFFFAOYSA-N 1 0 321.381 1.401 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000597716945 357300057 /nfs/dbraw/zinc/30/00/57/357300057.db2.gz UFHDEVMLWVCTPH-OAHLLOKOSA-N 1 0 306.366 1.491 20 5 DDBDRO CCc1n[nH]c(C(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000597853902 357357935 /nfs/dbraw/zinc/35/79/35/357357935.db2.gz DKUBLZWZMUGVEF-JTQLQIEISA-N 1 0 323.397 1.731 20 5 DDBDRO CCc1n[nH]c(C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000597923123 357384010 /nfs/dbraw/zinc/38/40/10/357384010.db2.gz LSLLQYBUENYKMR-SECBINFHSA-N 1 0 309.370 1.483 20 5 DDBDRO CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000598343342 357545127 /nfs/dbraw/zinc/54/51/27/357545127.db2.gz VEHOFCURLGNCHU-LBPRGKRZSA-N 1 0 307.350 1.818 20 5 DDBDRO Cc1c(C(=O)NC[C@H]2CCC[NH2+]2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000178760303 198926263 /nfs/dbraw/zinc/92/62/63/198926263.db2.gz FYIUUQNEVBDNTB-SNVBAGLBSA-N 1 0 322.321 1.602 20 5 DDBDRO COc1cc(C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)ccc1[N+](=O)[O-] ZINC000598669630 357679266 /nfs/dbraw/zinc/67/92/66/357679266.db2.gz KOHUZFQJEWBVJE-IAQYHMDHSA-N 1 0 305.334 1.557 20 5 DDBDRO O=C(NC[C@H]1CCC[N@H+](CC2CC2)C1)c1c[nH]nc1[N+](=O)[O-] ZINC000598559781 357631786 /nfs/dbraw/zinc/63/17/86/357631786.db2.gz ZJOCTPWOESIWRB-LLVKDONJSA-N 1 0 307.354 1.170 20 5 DDBDRO CC(=O)N1CC[C@@H]([NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000598679666 357684249 /nfs/dbraw/zinc/68/42/49/357684249.db2.gz KUVSOBHFGWOELM-MCIONIFRSA-N 1 0 321.381 1.485 20 5 DDBDRO C[NH+](C)C1CC(NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000598720346 357703317 /nfs/dbraw/zinc/70/33/17/357703317.db2.gz QDIZTZFOLKFBKS-RIXNLZLZSA-N 1 0 303.362 1.907 20 5 DDBDRO O=C(Nc1ccc([N+](=O)[O-])cc1F)N[C@@H]1CC12CC[NH2+]CC2 ZINC000598915935 357757522 /nfs/dbraw/zinc/75/75/22/357757522.db2.gz QVTLXDCVYDUXDB-GFCCVEGCSA-N 1 0 308.313 1.998 20 5 DDBDRO C[C@H](NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]C1 ZINC000598916403 357757720 /nfs/dbraw/zinc/75/77/20/357757720.db2.gz YBGMXLWKRWCNLC-WDEREUQCSA-N 1 0 320.349 1.038 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCN1CC[C@H](O)C1)CCC2 ZINC000599092067 357813657 /nfs/dbraw/zinc/81/36/57/357813657.db2.gz DVSJKNBTEGGDRS-GOEBONIOSA-N 1 0 305.378 1.628 20 5 DDBDRO CC[C@@H]1[NH2+]CC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000599100972 357815776 /nfs/dbraw/zinc/81/57/76/357815776.db2.gz LKUVPXNTEHFMAT-JGVFFNPUSA-N 1 0 305.381 1.075 20 5 DDBDRO CC(C)(C)OC(=O)[C@@]1(C)CCCN1CCn1ccc([N+](=O)[O-])n1 ZINC000599494465 357956340 /nfs/dbraw/zinc/95/63/40/357956340.db2.gz HUUGFWOOUUOASS-OAHLLOKOSA-N 1 0 324.381 1.988 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC1(C[NH3+])CCOCC1 ZINC000599603772 357990192 /nfs/dbraw/zinc/99/01/92/357990192.db2.gz IFNAZLJPLUBDIK-UHFFFAOYSA-N 1 0 322.365 1.841 20 5 DDBDRO COc1cccc2c1CN(CCn1cc([N+](=O)[O-])ccc1=O)C2 ZINC000599645611 358004522 /nfs/dbraw/zinc/00/45/22/358004522.db2.gz QXCCLJDOOGUYSB-UHFFFAOYSA-N 1 0 315.329 1.781 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1C[NH+]2CCC1CC2 ZINC000347978179 283314448 /nfs/dbraw/zinc/31/44/48/283314448.db2.gz HRLOOCUYULYVQI-AWEZNQCLSA-N 1 0 304.350 1.464 20 5 DDBDRO Cc1c(NC(=O)C(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)cccc1[N+](=O)[O-] ZINC000599895518 358076775 /nfs/dbraw/zinc/07/67/75/358076775.db2.gz GVDGPJCVWDGQJU-MWLCHTKSSA-N 1 0 320.349 1.098 20 5 DDBDRO CC(C)(NC(=O)NC[C@@H]1COCC[NH2+]1)c1ccccc1[N+](=O)[O-] ZINC000599939741 358086181 /nfs/dbraw/zinc/08/61/81/358086181.db2.gz MABJIEMIUUGCFQ-LLVKDONJSA-N 1 0 322.365 1.118 20 5 DDBDRO Cc1c([C@H](C)[NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])cnn1C ZINC000180691442 199197513 /nfs/dbraw/zinc/19/75/13/199197513.db2.gz ZRGSMSXDTAKNKY-JTQLQIEISA-N 1 0 317.349 1.926 20 5 DDBDRO C[NH2+]C1(CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CCC1 ZINC000600823457 358326272 /nfs/dbraw/zinc/32/62/72/358326272.db2.gz FFKRIEIIVYQCFE-UHFFFAOYSA-N 1 0 316.361 1.877 20 5 DDBDRO C[C@H]1C[C@@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000180854428 199218632 /nfs/dbraw/zinc/21/86/32/199218632.db2.gz XSNCBTBHPRGMNV-VHSXEESVSA-N 1 0 304.350 1.532 20 5 DDBDRO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000601109663 358405134 /nfs/dbraw/zinc/40/51/34/358405134.db2.gz WGIISJIPOZEVHZ-ZETCQYMHSA-N 1 0 319.287 1.996 20 5 DDBDRO O=[N+]([O-])c1cc(F)cnc1N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000601103271 358402823 /nfs/dbraw/zinc/40/28/23/358402823.db2.gz SJPJHGGVRWQZOW-ZDUSSCGKSA-N 1 0 324.356 1.820 20 5 DDBDRO C[NH+](C)CCC[C@@H]1CN(c2ncc(F)cc2[N+](=O)[O-])CCO1 ZINC000601199005 358444415 /nfs/dbraw/zinc/44/44/15/358444415.db2.gz MEFZWKJPAPKFFQ-GFCCVEGCSA-N 1 0 312.345 1.676 20 5 DDBDRO COc1cc(C(=O)N2CCC[C@H]3C[NH2+]CC[C@@H]32)ccc1[N+](=O)[O-] ZINC000601558685 358600558 /nfs/dbraw/zinc/60/05/58/358600558.db2.gz ROHIIXWQKMQQQV-STQMWFEESA-N 1 0 319.361 1.818 20 5 DDBDRO C[C@H](C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)[NH+](C)C ZINC000602151479 358848544 /nfs/dbraw/zinc/84/85/44/358848544.db2.gz IKEYUHWCMMIJTM-SNVBAGLBSA-N 1 0 304.350 1.685 20 5 DDBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N[C@H]1CC[NH2+]C12CCC2 ZINC000602530043 359029102 /nfs/dbraw/zinc/02/91/02/359029102.db2.gz GJMIRAPIWLQEBX-AWEZNQCLSA-N 1 0 318.377 1.798 20 5 DDBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000602572920 359050261 /nfs/dbraw/zinc/05/02/61/359050261.db2.gz UXCPHQYMNLQYDB-OUJBWJOFSA-N 1 0 309.391 1.942 20 5 DDBDRO C[C@H]1CC[C@H](NC(=O)CCNc2ccccc2[N+](=O)[O-])C[NH2+]1 ZINC000602557361 359043969 /nfs/dbraw/zinc/04/39/69/359043969.db2.gz ZQMUVPYPDMUBDZ-RYUDHWBXSA-N 1 0 306.366 1.654 20 5 DDBDRO Cn1cc(C[C@@H]2CC[N@H+](Cc3cn(C)nc3[N+](=O)[O-])C2)cn1 ZINC000602482230 359007909 /nfs/dbraw/zinc/00/79/09/359007909.db2.gz HPCQIYRYVSWEFT-NSHDSACASA-N 1 0 304.354 1.126 20 5 DDBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2nnnn2CC2CC2)cc1 ZINC000602620079 359079342 /nfs/dbraw/zinc/07/93/42/359079342.db2.gz UGDGCDJTAWOQRF-UHFFFAOYSA-N 1 0 302.338 1.324 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@@H]3CC[C@@H](O)C3)CC2)cn1 ZINC000602642140 359093796 /nfs/dbraw/zinc/09/37/96/359093796.db2.gz HPBJCMNYXNCTHA-IUODEOHRSA-N 1 0 320.393 1.709 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C[NH+]1C[C@]2(C)C(=O)NC(=O)[C@@]2(C)C1 ZINC000602724369 359150666 /nfs/dbraw/zinc/15/06/66/359150666.db2.gz KGKVDOUGHSENHS-HZPDHXFCSA-N 1 0 317.345 1.388 20 5 DDBDRO CC[C@H]1C[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000602823134 359216996 /nfs/dbraw/zinc/21/69/96/359216996.db2.gz YUGJCAGSRPPTMG-ZFWWWQNUSA-N 1 0 324.381 1.370 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@H]1c1ncccn1 ZINC000602896556 359279296 /nfs/dbraw/zinc/27/92/96/359279296.db2.gz DWIBYZYACDYYEW-ZDUSSCGKSA-N 1 0 315.333 1.384 20 5 DDBDRO CCOc1cc(C[N@@H+]2C[C@H](O)C[C@@]2(C)CO)ccc1[N+](=O)[O-] ZINC000602901550 359282789 /nfs/dbraw/zinc/28/27/89/359282789.db2.gz ZZASTAKXRNCCNN-DOMZBBRYSA-N 1 0 310.350 1.311 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@H](O)[C@@H]2CCCC[C@@H]21 ZINC000602997601 359346087 /nfs/dbraw/zinc/34/60/87/359346087.db2.gz NKDLRMNACFFHFG-RDBSUJKOSA-N 1 0 308.382 1.725 20 5 DDBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)CC[N@H+](C)C1CC1 ZINC000186782698 200009506 /nfs/dbraw/zinc/00/95/06/200009506.db2.gz GWFRCXGBMCTDBX-LBPRGKRZSA-N 1 0 320.393 1.948 20 5 DDBDRO Cc1c(C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000186835473 200018722 /nfs/dbraw/zinc/01/87/22/200018722.db2.gz KDGZSJCNVXEWGA-UFBFGSQYSA-N 1 0 322.321 1.539 20 5 DDBDRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000186931650 200033831 /nfs/dbraw/zinc/03/38/31/200033831.db2.gz HUDQTVUXGWQZQH-LBPRGKRZSA-N 1 0 321.377 1.512 20 5 DDBDRO COc1ccc(OCC[NH2+][C@@H]2C[C@H]([NH3+])C2(C)C)c([N+](=O)[O-])c1 ZINC000603430960 359635280 /nfs/dbraw/zinc/63/52/80/359635280.db2.gz DDEHABNBOZKNCT-UONOGXRCSA-N 1 0 309.366 1.698 20 5 DDBDRO CCO[C@H]1CCC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000604436835 359750491 /nfs/dbraw/zinc/75/04/91/359750491.db2.gz ASQVPBYQBVPZDN-ZBFHGGJFSA-N 1 0 324.377 1.835 20 5 DDBDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000604533251 359761977 /nfs/dbraw/zinc/76/19/77/359761977.db2.gz DYNCJTDNKHXWPX-CYBMUJFWSA-N 1 0 321.377 1.820 20 5 DDBDRO C[C@@H]1CN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000188478335 200253545 /nfs/dbraw/zinc/25/35/45/200253545.db2.gz SNYMMXNRPAXUIC-GFCCVEGCSA-N 1 0 306.366 1.607 20 5 DDBDRO [NH3+]CC1CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC1 ZINC000237816165 202362675 /nfs/dbraw/zinc/36/26/75/202362675.db2.gz XWTCGGCJJNVLGO-UHFFFAOYSA-N 1 0 318.377 1.980 20 5 DDBDRO Cn1cc(C(=O)N2CC[C@@H]([NH3+])C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237882556 202379770 /nfs/dbraw/zinc/37/97/70/202379770.db2.gz WBMXHEDDTQIWAX-LLVKDONJSA-N 1 0 315.333 1.169 20 5 DDBDRO O=C(N[C@H]1CCC[NH2+]C1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000237888366 202380746 /nfs/dbraw/zinc/38/07/46/202380746.db2.gz FDHXDBIUUMYJHH-ZDUSSCGKSA-N 1 0 318.377 1.677 20 5 DDBDRO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000157768458 283512563 /nfs/dbraw/zinc/51/25/63/283512563.db2.gz BUOQSIUVOYHJLS-PELKAZGASA-N 1 0 308.294 1.360 20 5 DDBDRO CCCN(CCC[NH+](C)C)C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000189268282 200373244 /nfs/dbraw/zinc/37/32/44/200373244.db2.gz MQJSHCMYMGVCTB-UHFFFAOYSA-N 1 0 308.382 1.981 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCC[C@H](CCO)C2)c1 ZINC000609204400 360273535 /nfs/dbraw/zinc/27/35/35/360273535.db2.gz MUQXDZKGYRNRMX-UKRRQHHQSA-N 1 0 324.377 1.429 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000609894012 360363032 /nfs/dbraw/zinc/36/30/32/360363032.db2.gz JECCIKZZLVPUMZ-LLVKDONJSA-N 1 0 309.370 1.241 20 5 DDBDRO C[C@@H](C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)[NH+](C)C ZINC000610541560 360464284 /nfs/dbraw/zinc/46/42/84/360464284.db2.gz HBOGYKALJWKCKD-LBPRGKRZSA-N 1 0 306.366 1.194 20 5 DDBDRO C[NH+](C)CCO[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000610764400 360531328 /nfs/dbraw/zinc/53/13/28/360531328.db2.gz GXGBJEBBASXECG-LLVKDONJSA-N 1 0 314.773 1.800 20 5 DDBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)Nc2ccncc2[N+](=O)[O-])C[C@H]1C ZINC000359027165 299310845 /nfs/dbraw/zinc/31/08/45/299310845.db2.gz NAHPDXIYIUGYBF-GHMZBOCLSA-N 1 0 307.354 1.358 20 5 DDBDRO O=C(Nc1ccncc1[N+](=O)[O-])N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000359028220 299311252 /nfs/dbraw/zinc/31/12/52/299311252.db2.gz PJPJJKMDNPUGDK-NWDGAFQWSA-N 1 0 305.338 1.160 20 5 DDBDRO Cc1nn(C)c(C(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)c1[N+](=O)[O-] ZINC000611480426 360728178 /nfs/dbraw/zinc/72/81/78/360728178.db2.gz PSJINUXLFWZMHL-LLVKDONJSA-N 1 0 309.370 1.239 20 5 DDBDRO CC(C)[C@@H]1CCC[C@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000565887607 304101084 /nfs/dbraw/zinc/10/10/84/304101084.db2.gz XIUHBCHRUULSTM-IPYPFGDCSA-N 1 0 310.398 1.957 20 5 DDBDRO Cc1ccccc1OCC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000565930519 304103982 /nfs/dbraw/zinc/10/39/82/304103982.db2.gz LRZPTSACJDMEOU-CQSZACIVSA-N 1 0 320.349 1.129 20 5 DDBDRO O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000292906898 223302870 /nfs/dbraw/zinc/30/28/70/223302870.db2.gz DVLVIHLFDOZEGU-BUHQSOCUSA-N 1 0 301.346 1.818 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000248653404 202755906 /nfs/dbraw/zinc/75/59/06/202755906.db2.gz VNIXVVYXNQXILX-XDTLVQLUSA-N 1 0 305.334 1.413 20 5 DDBDRO O=[N+]([O-])c1cccc(-c2noc(CN3C[C@@H]4C[NH2+]C[C@H]4C3)n2)c1 ZINC000359287610 299396434 /nfs/dbraw/zinc/39/64/34/299396434.db2.gz YHCDMWKSWDSGIO-RYUDHWBXSA-N 1 0 315.333 1.296 20 5 DDBDRO CCCc1n[nH]c(C(=O)N2CCC3(CC[NH2+]C3)CC2)c1[N+](=O)[O-] ZINC000261782987 203117062 /nfs/dbraw/zinc/11/70/62/203117062.db2.gz LHFVKDJCRAXLAY-UHFFFAOYSA-N 1 0 321.381 1.486 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)c1 ZINC000261937200 203156986 /nfs/dbraw/zinc/15/69/86/203156986.db2.gz UCRWQCFMCGXGOJ-ZDUSSCGKSA-N 1 0 318.377 1.023 20 5 DDBDRO [NH3+]CCCN(Cc1ccccc1)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000262452530 203298281 /nfs/dbraw/zinc/29/82/81/203298281.db2.gz KBGMYQDKBDMUOU-UHFFFAOYSA-N 1 0 317.349 1.169 20 5 DDBDRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000262711790 203390168 /nfs/dbraw/zinc/39/01/68/203390168.db2.gz CTYNBGLIUMBDBW-NWDGAFQWSA-N 1 0 307.350 1.478 20 5 DDBDRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000262711792 203390832 /nfs/dbraw/zinc/39/08/32/203390832.db2.gz CTYNBGLIUMBDBW-VXGBXAGGSA-N 1 0 307.350 1.478 20 5 DDBDRO C[C@@H](CCN1CCOCC1)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000350286200 284178168 /nfs/dbraw/zinc/17/81/68/284178168.db2.gz KLBHJZUTLYRPGC-LBPRGKRZSA-N 1 0 311.357 1.934 20 5 DDBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000265028009 204352100 /nfs/dbraw/zinc/35/21/00/204352100.db2.gz XAOGHFNITUKAIH-ZDUSSCGKSA-N 1 0 323.397 1.480 20 5 DDBDRO CN(C[C@@H]1CCC[N@H+](C)C1)c1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000266073817 205076162 /nfs/dbraw/zinc/07/61/62/205076162.db2.gz XMIBDSICGHPCCZ-LLVKDONJSA-N 1 0 306.366 1.472 20 5 DDBDRO CC[NH+]1CCC(N[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000266220814 205191797 /nfs/dbraw/zinc/19/17/97/205191797.db2.gz ZFBKHIOSZZSIPX-GFCCVEGCSA-N 1 0 320.393 1.996 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000036300135 248187523 /nfs/dbraw/zinc/18/75/23/248187523.db2.gz TUCUESSQJBHSLA-UHFFFAOYSA-N 1 0 313.379 1.276 20 5 DDBDRO Cc1ccc(CN2CCO[C@H]3CC[N@@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000284719168 218147615 /nfs/dbraw/zinc/14/76/15/218147615.db2.gz UTHHUGJRDMOMSA-HOTGVXAUSA-N 1 0 305.378 1.808 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CN1CCO[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000284923278 218235328 /nfs/dbraw/zinc/23/53/28/218235328.db2.gz UDBBXQCDVTWMIZ-GDBMZVCRSA-N 1 0 321.377 1.508 20 5 DDBDRO C[NH+](C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])[nH]1)Cc1ccccc1 ZINC000340467448 251069843 /nfs/dbraw/zinc/06/98/43/251069843.db2.gz PFMMSGWLGPCUTM-CYBMUJFWSA-N 1 0 316.361 1.826 20 5 DDBDRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000341106282 251384396 /nfs/dbraw/zinc/38/43/96/251384396.db2.gz WKAZQVMWPSDXQI-NEPJUHHUSA-N 1 0 306.366 1.321 20 5 DDBDRO C[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC[C@H]1[NH3+] ZINC000269221922 207341041 /nfs/dbraw/zinc/34/10/41/207341041.db2.gz RYVMYODYJHIEEW-TVQRCGJNSA-N 1 0 311.769 1.986 20 5 DDBDRO C[C@H]1CN(C(=O)CCNc2ccccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000269235766 207361306 /nfs/dbraw/zinc/36/13/06/207361306.db2.gz WSAGSUOXURVCOW-RYUDHWBXSA-N 1 0 306.366 1.593 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000567732714 304238262 /nfs/dbraw/zinc/23/82/62/304238262.db2.gz PTEADXDXNWCTJW-HAQNSBGRSA-N 1 0 306.366 1.793 20 5 DDBDRO C[NH2+][C@H](C)Cc1noc(CCC(=O)c2cccc([N+](=O)[O-])c2)n1 ZINC000567849980 304247771 /nfs/dbraw/zinc/24/77/71/304247771.db2.gz UHUWQOIYYKENDA-SNVBAGLBSA-N 1 0 318.333 1.944 20 5 DDBDRO COCC[NH2+]CCNC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000417146583 533024476 /nfs/dbraw/zinc/02/44/76/533024476.db2.gz YJARZEKTPTUEQJ-LLVKDONJSA-N 1 0 310.354 1.191 20 5 DDBDRO O=[N+]([O-])c1c(F)cccc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000267366349 285077214 /nfs/dbraw/zinc/07/72/14/285077214.db2.gz JBNYSVNWBPLNTA-LBPRGKRZSA-N 1 0 309.341 1.892 20 5 DDBDRO O=[N+]([O-])c1c2cccnc2ccc1N1CCC([NH2+]CCO)CC1 ZINC000181237285 285079243 /nfs/dbraw/zinc/07/92/43/285079243.db2.gz HYJRJGQHQYLVSO-UHFFFAOYSA-N 1 0 316.361 1.694 20 5 DDBDRO C[NH+](C)[C@@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])c1cccc(F)c1 ZINC000158952735 197314057 /nfs/dbraw/zinc/31/40/57/197314057.db2.gz NHKTZTMUXOCLBN-NSHDSACASA-N 1 0 321.312 1.490 20 5 DDBDRO Cn1cc(C[N@@H+]2CCC[C@H](O)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000158748956 197298004 /nfs/dbraw/zinc/29/80/04/197298004.db2.gz HHIRCFUHZUXURE-HNNXBMFYSA-N 1 0 316.361 1.952 20 5 DDBDRO O=[N+]([O-])c1ccc(OCC[N@@H+](CCO)Cc2cccnc2)cc1 ZINC000156766101 197139712 /nfs/dbraw/zinc/13/97/12/197139712.db2.gz BGUVURNETUTDFP-UHFFFAOYSA-N 1 0 317.345 1.863 20 5 DDBDRO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000289540721 221053588 /nfs/dbraw/zinc/05/35/88/221053588.db2.gz BQXURDDJKNKXQN-VHSXEESVSA-N 1 0 315.333 1.153 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CN[C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422718201 533223072 /nfs/dbraw/zinc/22/30/72/533223072.db2.gz PIEMKJNPXZSSRX-HOTGVXAUSA-N 1 0 321.377 1.460 20 5 DDBDRO CCS(=O)(=O)CCC[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000414546294 224351170 /nfs/dbraw/zinc/35/11/70/224351170.db2.gz SYCCNYFFXVZZMC-UHFFFAOYSA-N 1 0 300.380 1.818 20 5 DDBDRO COc1ccc(OCC[NH2+][C@@](C)(CO)C(C)C)c([N+](=O)[O-])c1 ZINC000352883037 285357586 /nfs/dbraw/zinc/35/75/86/285357586.db2.gz NHCBRJFYNYGYCS-HNNXBMFYSA-N 1 0 312.366 1.979 20 5 DDBDRO CC[N@@H+]1CC[C@@H]2OCCN(c3nc(C)cc(C)c3[N+](=O)[O-])[C@H]2C1 ZINC000338734567 285380807 /nfs/dbraw/zinc/38/08/07/285380807.db2.gz SZHZXKIUGRLADI-KBPBESRZSA-N 1 0 320.393 1.906 20 5 DDBDRO COc1cccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)c1[N+](=O)[O-] ZINC000422874423 533402366 /nfs/dbraw/zinc/40/23/66/533402366.db2.gz CVPILOYMUNACJI-MNOVXSKESA-N 1 0 305.334 1.570 20 5 DDBDRO C[C@@H](N[C@@H]1CCCC[C@H]1[NH3+])C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000424331857 533517744 /nfs/dbraw/zinc/51/77/44/533517744.db2.gz KBGPFEBIYCFEBS-LERXQTSPSA-N 1 0 306.366 1.781 20 5 DDBDRO COc1cc(C(=O)NC[C@@H]2CCC[N@@H+]2C)c([N+](=O)[O-])cc1F ZINC000294869979 533538843 /nfs/dbraw/zinc/53/88/43/533538843.db2.gz BVXZDLKSWYBXOS-VIFPVBQESA-N 1 0 311.313 1.567 20 5 DDBDRO COc1ccc(CNC(=O)N2C[C@H](C[NH3+])C[C@H]2C)cc1[N+](=O)[O-] ZINC000417183505 533605546 /nfs/dbraw/zinc/60/55/46/533605546.db2.gz BDGWBJBNMLYREZ-PWSUYJOCSA-N 1 0 322.365 1.482 20 5 DDBDRO C[C@@H]1C[C@@H](NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000418611624 533607787 /nfs/dbraw/zinc/60/77/87/533607787.db2.gz VCOBRPAQBKSBFP-OCCSQVGLSA-N 1 0 320.393 1.919 20 5 DDBDRO COc1ccc(CNC(=O)N[C@@H]2CC[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC000417179790 533627729 /nfs/dbraw/zinc/62/77/29/533627729.db2.gz FYBBPZNSOOVNRF-ZYHUDNBSSA-N 1 0 322.365 1.401 20 5 DDBDRO Cc1cc(S(=O)(=O)N2C[C@H](C)[NH2+]C[C@H]2C)ccc1[N+](=O)[O-] ZINC000353490659 285765642 /nfs/dbraw/zinc/76/56/42/285765642.db2.gz HYHVFASJZKBJSS-WDEREUQCSA-N 1 0 313.379 1.274 20 5 DDBDRO COc1cc(C(=O)N[C@H](C[NH3+])C2CC2)c([N+](=O)[O-])cc1OC ZINC000124293084 286202770 /nfs/dbraw/zinc/20/27/70/286202770.db2.gz ZRDWYCLHBMTGLP-SNVBAGLBSA-N 1 0 309.322 1.079 20 5 DDBDRO CC[C@@H](C)[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000007070660 406749715 /nfs/dbraw/zinc/74/97/15/406749715.db2.gz CPGSCBQEAZVNMW-SNVBAGLBSA-N 1 0 301.368 1.261 20 5 DDBDRO O=C1CC[C@@H](C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)N1 ZINC000076760054 406974140 /nfs/dbraw/zinc/97/41/40/406974140.db2.gz CVMLPHIAJFPTTH-VIFPVBQESA-N 1 0 315.276 1.564 20 5 DDBDRO Cc1ccc([C@H](C)[NH2+]CCCS(N)(=O)=O)cc1[N+](=O)[O-] ZINC000045067614 407039047 /nfs/dbraw/zinc/03/90/47/407039047.db2.gz ZPLYWBXQSRYQRC-JTQLQIEISA-N 1 0 301.368 1.232 20 5 DDBDRO C[NH+]1CCC(NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000077309740 406984843 /nfs/dbraw/zinc/98/48/43/406984843.db2.gz CIZWTCIKNUZAPY-UHFFFAOYSA-N 1 0 303.322 1.295 20 5 DDBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000079338047 407053984 /nfs/dbraw/zinc/05/39/84/407053984.db2.gz MTPFJCKOTWKOPH-CYBMUJFWSA-N 1 0 320.393 1.632 20 5 DDBDRO C[C@H]1C[C@@H](N(C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000123191846 407322514 /nfs/dbraw/zinc/32/25/14/407322514.db2.gz LUXHWLWXCDWBQL-FZMZJTMJSA-N 1 0 320.393 1.608 20 5 DDBDRO Cc1nn(C)c(C(=O)NCCC[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000098101361 407305959 /nfs/dbraw/zinc/30/59/59/407305959.db2.gz XIUSWDMLWABXKM-UHFFFAOYSA-N 1 0 323.397 1.489 20 5 DDBDRO Cc1cnc([C@H](C)[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)s1 ZINC000124395752 407357138 /nfs/dbraw/zinc/35/71/38/407357138.db2.gz GRRUOMOMMHTQQB-ONGXEEELSA-N 1 0 311.367 1.268 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCC[NH+](C)C)cc1C ZINC000125083538 407378469 /nfs/dbraw/zinc/37/84/69/407378469.db2.gz SUWGLHCPHUECPE-UHFFFAOYSA-N 1 0 301.368 1.052 20 5 DDBDRO CC[N@@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C1 ZINC000107894122 407381281 /nfs/dbraw/zinc/38/12/81/407381281.db2.gz YKPMVPRUJSFGPU-GFCCVEGCSA-N 1 0 320.393 1.732 20 5 DDBDRO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H]1CCOC1 ZINC000266192285 407533599 /nfs/dbraw/zinc/53/35/99/407533599.db2.gz ZBJITSIISFHXKH-QWRGUYRKSA-N 1 0 308.334 1.976 20 5 DDBDRO CC[C@@H]1CN(c2cc(OC)ccc2[N+](=O)[O-])CC[N@@H+]1C[C@H](C)O ZINC000266397156 407536669 /nfs/dbraw/zinc/53/66/69/407536669.db2.gz OXUDAIOITGXYOQ-QWHCGFSZSA-N 1 0 323.393 1.885 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[NH2+]C[C@H]1C ZINC000261758253 407604610 /nfs/dbraw/zinc/60/46/10/407604610.db2.gz LBXVGVCMLROJDH-GFCCVEGCSA-N 1 0 306.366 1.526 20 5 DDBDRO O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261809434 407621598 /nfs/dbraw/zinc/62/15/98/407621598.db2.gz ZPYSMRAABLTHCN-UWVGGRQHSA-N 1 0 309.753 1.930 20 5 DDBDRO Cc1ccc(C(=O)NCC2(O)CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000266772730 407628763 /nfs/dbraw/zinc/62/87/63/407628763.db2.gz QRURWFFLINSLCQ-UHFFFAOYSA-N 1 0 307.350 1.090 20 5 DDBDRO O=[N+]([O-])c1ccc(C[NH2+]C2(CO)CCOCC2)c(Cl)c1 ZINC000227981459 407640950 /nfs/dbraw/zinc/64/09/50/407640950.db2.gz XDSUZORVPFLLFO-UHFFFAOYSA-N 1 0 300.742 1.879 20 5 DDBDRO C[C@H]([NH3+])[C@H]1CCCCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000261930194 407678380 /nfs/dbraw/zinc/67/83/80/407678380.db2.gz JIVFGAKWZITOSO-GXFFZTMASA-N 1 0 306.366 1.395 20 5 DDBDRO C[C@H](O)C[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000267000400 407712103 /nfs/dbraw/zinc/71/21/03/407712103.db2.gz CTIGMPOTJVZJGK-NEPJUHHUSA-N 1 0 311.357 1.621 20 5 DDBDRO CC(C)[C@H]([NH3+])CCN(C)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000236655067 407740050 /nfs/dbraw/zinc/74/00/50/407740050.db2.gz DZHNRYUZKGCKAI-SECBINFHSA-N 1 0 321.424 1.650 20 5 DDBDRO CCc1n[nH]c(C(=O)N2CC[NH+](CC(C)C)CC2)c1[N+](=O)[O-] ZINC000171809655 407772961 /nfs/dbraw/zinc/77/29/61/407772961.db2.gz WJCSWCZKBBKLAZ-UHFFFAOYSA-N 1 0 309.370 1.294 20 5 DDBDRO C[NH2+]C[C@H](C)CNS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000237209736 407802310 /nfs/dbraw/zinc/80/23/10/407802310.db2.gz UGOFRURTVFZJSW-VIFPVBQESA-N 1 0 301.368 1.037 20 5 DDBDRO COc1ccc(CNC[C@H](O)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000237197020 407804899 /nfs/dbraw/zinc/80/48/99/407804899.db2.gz OQDKVVORJKOMPF-ZDUSSCGKSA-N 1 0 309.366 1.150 20 5 DDBDRO CCOc1cc(N2CC[NH+](CC(C)(C)O)CC2)ccc1[N+](=O)[O-] ZINC000117106954 407809139 /nfs/dbraw/zinc/80/91/39/407809139.db2.gz BLJGUIMSRCSIRH-UHFFFAOYSA-N 1 0 323.393 1.886 20 5 DDBDRO C[NH+](C)[C@H]1CCC[C@H](Nc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000267254396 407809193 /nfs/dbraw/zinc/80/91/93/407809193.db2.gz IYDORAZLGDDFQY-RYUDHWBXSA-N 1 0 306.366 1.978 20 5 DDBDRO COC[C@]1(C(=O)N(C)Cc2ccccc2[N+](=O)[O-])CC[NH2+]C1 ZINC000262544574 407863599 /nfs/dbraw/zinc/86/35/99/407863599.db2.gz RNOYNKOXIHLBKJ-HNNXBMFYSA-N 1 0 307.350 1.179 20 5 DDBDRO O=C(NCCNc1ccccc1[N+](=O)[O-])[C@H]1CC12CC[NH2+]CC2 ZINC000238131992 407892275 /nfs/dbraw/zinc/89/22/75/407892275.db2.gz ZVOSOVJXEDQURJ-GFCCVEGCSA-N 1 0 318.377 1.513 20 5 DDBDRO CC[N@@H+]1CCCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000118827271 407949490 /nfs/dbraw/zinc/94/94/90/407949490.db2.gz YYVYQUGVPDQCMG-ZDUSSCGKSA-N 1 0 320.393 1.949 20 5 DDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000262771284 407923156 /nfs/dbraw/zinc/92/31/56/407923156.db2.gz MDRUPCWAHUQULO-KOLCDFICSA-N 1 0 313.379 1.180 20 5 DDBDRO O=C(Cc1ccccc1[N+](=O)[O-])NCCC[NH+]1CCC(O)CC1 ZINC000118722484 407937502 /nfs/dbraw/zinc/93/75/02/407937502.db2.gz CYTGSXKEAUBJST-UHFFFAOYSA-N 1 0 321.377 1.100 20 5 DDBDRO O=C(NCCC[NH+]1CCC(O)CC1)c1ccccc1[N+](=O)[O-] ZINC000118721985 407938851 /nfs/dbraw/zinc/93/88/51/407938851.db2.gz LVRSGSQQVGRZGC-UHFFFAOYSA-N 1 0 307.350 1.171 20 5 DDBDRO C[C@H](O)[C@H]1CCCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181859068 408047999 /nfs/dbraw/zinc/04/79/99/408047999.db2.gz VJYJQXLRXJWSBF-MELADBBJSA-N 1 0 324.377 1.570 20 5 DDBDRO CC(C)C[N@@H+]1CCCC[C@H]1CNc1ncc([N+](=O)[O-])c(N)n1 ZINC000119079939 407990156 /nfs/dbraw/zinc/99/01/56/407990156.db2.gz XWHZHBWLBJNGKU-NSHDSACASA-N 1 0 308.386 1.889 20 5 DDBDRO C[C@H](O)[C@H]1CCC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000136330915 408097792 /nfs/dbraw/zinc/09/77/92/408097792.db2.gz GTLRIYNNDSIICG-YDHLFZDLSA-N 1 0 324.377 1.427 20 5 DDBDRO COCC[NH+]1CCC(NC(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000141473900 408180597 /nfs/dbraw/zinc/18/05/97/408180597.db2.gz VDJICGAGBWPOQD-UHFFFAOYSA-N 1 0 321.377 1.364 20 5 DDBDRO CCOC[C@@H]1CC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000246310963 408217118 /nfs/dbraw/zinc/21/71/18/408217118.db2.gz ZIRMKDXYAXURSF-UKRRQHHQSA-N 1 0 324.377 1.693 20 5 DDBDRO CC(C)[C@H]([NH3+])CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000269255023 408233121 /nfs/dbraw/zinc/23/31/21/408233121.db2.gz HIXBDTRRTGGOCA-SNVBAGLBSA-N 1 0 309.322 1.079 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000269459844 408317155 /nfs/dbraw/zinc/31/71/55/408317155.db2.gz HMGNVBZGGJFJQY-VHSXEESVSA-N 1 0 321.381 1.796 20 5 DDBDRO CCO[C@@H]1C[C@@H](O)C12CC[NH+](CCn1ccc([N+](=O)[O-])n1)CC2 ZINC000176261588 408327712 /nfs/dbraw/zinc/32/77/12/408327712.db2.gz WYFSTDWVBFYQJL-CHWSQXEVSA-N 1 0 324.381 1.043 20 5 DDBDRO O=C(/C=C/c1ccccc1[N+](=O)[O-])N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160147125 408460464 /nfs/dbraw/zinc/46/04/64/408460464.db2.gz XHEYENCQRFAXJR-DTEKQVELSA-N 1 0 301.346 1.961 20 5 DDBDRO O=C(COc1cccc([N+](=O)[O-])c1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159494928 408414468 /nfs/dbraw/zinc/41/44/68/408414468.db2.gz NOVYDLFJJLBBKT-TXEJJXNPSA-N 1 0 305.334 1.327 20 5 DDBDRO Cc1ccc(NCCCNC(=O)[C@@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000160485269 408486413 /nfs/dbraw/zinc/48/64/13/408486413.db2.gz OIFKHYMTEVESLH-GFCCVEGCSA-N 1 0 306.366 1.431 20 5 DDBDRO Cc1ccc(C(=O)N[C@H](C)CN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000264438529 408491491 /nfs/dbraw/zinc/49/14/91/408491491.db2.gz NQCKTUVFXSKVRJ-CYBMUJFWSA-N 1 0 320.393 1.269 20 5 DDBDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000160308197 408468303 /nfs/dbraw/zinc/46/83/03/408468303.db2.gz QNVSXVPTMMNNRV-GFCCVEGCSA-N 1 0 307.350 1.171 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160314837 408471062 /nfs/dbraw/zinc/47/10/62/408471062.db2.gz FBCLEPHQPGJFJB-PHIMTYICSA-N 1 0 305.334 1.570 20 5 DDBDRO Cc1cc(NC(=O)NCC2(O)CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000274802786 408537463 /nfs/dbraw/zinc/53/74/63/408537463.db2.gz KXKIQLBUBXPEKZ-UHFFFAOYSA-N 1 0 322.365 1.481 20 5 DDBDRO COCC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000264606081 408541398 /nfs/dbraw/zinc/54/13/98/408541398.db2.gz OLNPLLRKLCNINY-SNVBAGLBSA-N 1 0 310.310 1.636 20 5 DDBDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000177491634 408636013 /nfs/dbraw/zinc/63/60/13/408636013.db2.gz ABDLFMNWNOACRU-OCCSQVGLSA-N 1 0 321.377 1.963 20 5 DDBDRO CN(CC(=O)N1CC[N@H+](C)CC1(C)C)c1ccccc1[N+](=O)[O-] ZINC000270885488 408725388 /nfs/dbraw/zinc/72/53/88/408725388.db2.gz GLEGQADQRIJPOF-UHFFFAOYSA-N 1 0 320.393 1.584 20 5 DDBDRO Cc1ccc([C@@H](C)[NH2+]CCC(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000177833590 408725876 /nfs/dbraw/zinc/72/58/76/408725876.db2.gz GNEHRSYTCGQDJX-CYBMUJFWSA-N 1 0 321.377 1.803 20 5 DDBDRO C[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000162692588 408726122 /nfs/dbraw/zinc/72/61/22/408726122.db2.gz ZQVKMDVMTJCLNH-AVGNSLFASA-N 1 0 310.350 1.349 20 5 DDBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000270921549 408742483 /nfs/dbraw/zinc/74/24/83/408742483.db2.gz KBJMQWKYCNCAQE-LLVKDONJSA-N 1 0 320.393 1.979 20 5 DDBDRO Cc1nn(CCC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)c(C)c1[N+](=O)[O-] ZINC000162321956 408689005 /nfs/dbraw/zinc/68/90/05/408689005.db2.gz UORFVLFZLXKYMI-NWDGAFQWSA-N 1 0 309.370 1.184 20 5 DDBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)CC[C@H]21 ZINC000251496174 408781137 /nfs/dbraw/zinc/78/11/37/408781137.db2.gz DMBWAIRPECDWNB-CMPLNLGQSA-N 1 0 320.349 1.252 20 5 DDBDRO C[NH+](C)CCc1ccc(CNC(=O)c2[nH]ncc2[N+](=O)[O-])cc1 ZINC000276269721 408828308 /nfs/dbraw/zinc/82/83/08/408828308.db2.gz PZWNZURFTMGMGP-UHFFFAOYSA-N 1 0 317.349 1.352 20 5 DDBDRO O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3C[C@@H](O)C[C@H]3CO)o2)c1 ZINC000187666782 163025923 /nfs/dbraw/zinc/02/59/23/163025923.db2.gz HLDKAWJFYPQMRQ-KBPBESRZSA-N 1 0 318.329 1.782 20 5 DDBDRO C[N@@H+]1CC[C@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])cc3F)[C@@H]2C1 ZINC000285924749 408889744 /nfs/dbraw/zinc/88/97/44/408889744.db2.gz UPXWZPNTQUWKED-ZIAGYGMSSA-N 1 0 323.324 1.279 20 5 DDBDRO CCOc1ccc(C(=O)N2CC[NH+]3CCC2CC3)cc1[N+](=O)[O-] ZINC000188636798 163061861 /nfs/dbraw/zinc/06/18/61/163061861.db2.gz ILVMLLXWGLPOSE-UHFFFAOYSA-N 1 0 319.361 1.914 20 5 DDBDRO CCCN(CC[NH+]1CCCCC1)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000286179623 408937560 /nfs/dbraw/zinc/93/75/60/408937560.db2.gz KXHHRVQZZDPGIZ-UHFFFAOYSA-N 1 0 323.397 1.516 20 5 DDBDRO C[C@@H]1C[N@H+](CCCNC(=O)c2cccc([N+](=O)[O-])c2)CCCO1 ZINC000277396223 408933066 /nfs/dbraw/zinc/93/30/66/408933066.db2.gz DQDUQLOINNONDA-CYBMUJFWSA-N 1 0 321.377 1.826 20 5 DDBDRO C[C@H]1[NH2+]CCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)[C@@H]1C ZINC000277477096 408948476 /nfs/dbraw/zinc/94/84/76/408948476.db2.gz LKPPIFFVINVBSQ-NXEZZACHSA-N 1 0 311.313 1.322 20 5 DDBDRO NC(=O)c1cc([N+](=O)[O-])cnc1NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000277570282 408968241 /nfs/dbraw/zinc/96/82/41/408968241.db2.gz ZTERFYPKXJKZHP-LLVKDONJSA-N 1 0 319.365 1.518 20 5 DDBDRO COc1ccc(CN2CC[N@H+](C[C@@H](C)O)C[C@H]2C)cc1[N+](=O)[O-] ZINC000282209797 409010953 /nfs/dbraw/zinc/01/09/53/409010953.db2.gz XWAPLHJJVKLTEZ-CHWSQXEVSA-N 1 0 323.393 1.490 20 5 DDBDRO C[C@@H]1CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H](C)[N@H+]1C ZINC000293248190 409075542 /nfs/dbraw/zinc/07/55/42/409075542.db2.gz BJBBLKOFJMXOHP-PHIMTYICSA-N 1 0 306.366 1.218 20 5 DDBDRO CC[C@@H](C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[NH+](C)C ZINC000278227773 409077361 /nfs/dbraw/zinc/07/73/61/409077361.db2.gz VADWZDSXBLOZIW-LBPRGKRZSA-N 1 0 305.338 1.428 20 5 DDBDRO CC[N@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)[C@@H](C)CO ZINC000293390540 409104174 /nfs/dbraw/zinc/10/41/74/409104174.db2.gz KMURYAOGYULMAF-NSHDSACASA-N 1 0 309.366 1.935 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000293558968 409138077 /nfs/dbraw/zinc/13/80/77/409138077.db2.gz ZXIDNLPDTBWHKL-BETUJISGSA-N 1 0 320.393 1.866 20 5 DDBDRO C[C@H]1CN(C(=O)c2nn(C)cc2[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000293786027 409179236 /nfs/dbraw/zinc/17/92/36/409179236.db2.gz WMCLEHXZQJQFAY-LLVKDONJSA-N 1 0 321.381 1.275 20 5 DDBDRO O=[N+]([O-])c1cc(Cl)cnc1N[C@@H](CO)C[NH+]1CCCCC1 ZINC000289243449 409237904 /nfs/dbraw/zinc/23/79/04/409237904.db2.gz ZRABNOREAWBROC-LLVKDONJSA-N 1 0 314.773 1.902 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H](CO)[C@@H]1CCOC1 ZINC000280289010 409285729 /nfs/dbraw/zinc/28/57/29/409285729.db2.gz MLYKVLYAPJTEON-TZMCWYRMSA-N 1 0 324.377 1.728 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000280316346 409291234 /nfs/dbraw/zinc/29/12/34/409291234.db2.gz QAGXKCHPBMMAFW-OAHLLOKOSA-N 1 0 307.350 1.691 20 5 DDBDRO Cc1nc(NCCC[N@@H+]2CCCO[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000295083731 409315892 /nfs/dbraw/zinc/31/58/92/409315892.db2.gz RMVOBGIQMXOMLI-LLVKDONJSA-N 1 0 309.370 1.606 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@@H]1CCN2CCO[C@H]1C2 ZINC000295099028 409319610 /nfs/dbraw/zinc/31/96/10/409319610.db2.gz KDAAVTVPAJMUMW-CVEARBPZSA-N 1 0 305.378 1.808 20 5 DDBDRO Cc1ccc(C[N@@H+](C)[C@@H]2CCN3CCO[C@H]2C3)cc1[N+](=O)[O-] ZINC000295135111 409335907 /nfs/dbraw/zinc/33/59/07/409335907.db2.gz PAJALHKMOURMLX-ZBFHGGJFSA-N 1 0 305.378 1.808 20 5 DDBDRO C[C@@H]([N@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C(C)(C)O ZINC000295142830 409342891 /nfs/dbraw/zinc/34/28/91/409342891.db2.gz LDWJYJVEMNUJLV-LLVKDONJSA-N 1 0 321.377 1.575 20 5 DDBDRO O=C(N[C@H]1CCC[N@@H+](CCCO)C1)c1ccccc1[N+](=O)[O-] ZINC000295339795 409442564 /nfs/dbraw/zinc/44/25/64/409442564.db2.gz DPDKKVZKOWWJOO-LBPRGKRZSA-N 1 0 307.350 1.171 20 5 DDBDRO CNc1c(C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000317286339 164027352 /nfs/dbraw/zinc/02/73/52/164027352.db2.gz KMXJZRUAOOBCEG-GHMZBOCLSA-N 1 0 306.366 1.849 20 5 DDBDRO COc1ccc(C[NH+]2CCC(OCCO)CC2)cc1[N+](=O)[O-] ZINC000317719869 164028545 /nfs/dbraw/zinc/02/85/45/164028545.db2.gz LBVQZOISQBJCNA-UHFFFAOYSA-N 1 0 310.350 1.577 20 5 DDBDRO COC[C@@H](C)OC[C@@H](O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296870137 409678200 /nfs/dbraw/zinc/67/82/00/409678200.db2.gz ZMVNOKNCWLRJBS-XUJVJEKNSA-N 1 0 312.366 1.658 20 5 DDBDRO CC(C)(C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12)n1cc([N+](=O)[O-])cn1 ZINC000331663733 409747650 /nfs/dbraw/zinc/74/76/50/409747650.db2.gz OSTXSGJXVVBHRF-QWHCGFSZSA-N 1 0 321.381 1.269 20 5 DDBDRO CC(C)(C[NH+]1CCCC1)NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000308679342 409785805 /nfs/dbraw/zinc/78/58/05/409785805.db2.gz KPAOYRZQVOSSLF-UHFFFAOYSA-N 1 0 307.354 1.176 20 5 DDBDRO C[C@H](C[NH+](C)C)NC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000346131781 409806001 /nfs/dbraw/zinc/80/60/01/409806001.db2.gz HWWRAODQWMJBTG-GFCCVEGCSA-N 1 0 308.382 1.853 20 5 DDBDRO C[N@@H+]1CC[C@](O)(CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000331985271 409806360 /nfs/dbraw/zinc/80/63/60/409806360.db2.gz TZOSZQQBOBTPFZ-HOTGVXAUSA-N 1 0 305.378 1.628 20 5 DDBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1ccc([N+](=O)[O-])n1C ZINC000346142385 409818111 /nfs/dbraw/zinc/81/81/11/409818111.db2.gz XYLHAEYFOCHILB-NWDGAFQWSA-N 1 0 306.366 1.632 20 5 DDBDRO CCc1n[nH]c(C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000346144008 409819150 /nfs/dbraw/zinc/81/91/50/409819150.db2.gz UCIWFUGLJSCOKH-WDEREUQCSA-N 1 0 323.397 1.873 20 5 DDBDRO C[C@@H]([NH3+])C[C@@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000320698810 409906591 /nfs/dbraw/zinc/90/65/91/409906591.db2.gz RLRYJDLNEGYYAV-HTQZYQBOSA-N 1 0 321.786 1.652 20 5 DDBDRO C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C[C@@H](C)C1 ZINC000346229484 409870659 /nfs/dbraw/zinc/87/06/59/409870659.db2.gz MBNUOODYTMMJMR-JBLDHEPKSA-N 1 0 307.354 1.120 20 5 DDBDRO C[C@H](CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-])C[NH+](C)C ZINC000319533944 409896689 /nfs/dbraw/zinc/89/66/89/409896689.db2.gz DBZHIIZOALHHQV-SECBINFHSA-N 1 0 305.338 1.853 20 5 DDBDRO CCC(=O)N[C@@H]1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000354670546 410004908 /nfs/dbraw/zinc/00/49/08/410004908.db2.gz CESUBINIRMRZJW-CYBMUJFWSA-N 1 0 321.377 1.964 20 5 DDBDRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000346722356 410112278 /nfs/dbraw/zinc/11/22/78/410112278.db2.gz RCAKOFBZHAHCJJ-LLVKDONJSA-N 1 0 310.354 1.106 20 5 DDBDRO C[C@H](CC(N)=O)[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000343103328 410144733 /nfs/dbraw/zinc/14/47/33/410144733.db2.gz OVOFIMBFHADCJU-ZJUUUORDSA-N 1 0 308.338 1.165 20 5 DDBDRO C[C@H]1C[C@H](NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC[N@@H+]1C ZINC000332695025 410219535 /nfs/dbraw/zinc/21/95/35/410219535.db2.gz RJERJTBNEAAPTB-GXSJLCMTSA-N 1 0 321.333 1.536 20 5 DDBDRO CCOC(=O)c1ccnc(N2CCN(CC)C[C@@H]2C)c1[N+](=O)[O-] ZINC000343273048 410298105 /nfs/dbraw/zinc/29/81/05/410298105.db2.gz QTMKWJIMSCIMNO-NSHDSACASA-N 1 0 322.365 1.697 20 5 DDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CCC[N@H+](C)[C@H]1C ZINC000343457051 410466632 /nfs/dbraw/zinc/46/66/32/410466632.db2.gz KOYBYCNWNJOCKQ-GXFFZTMASA-N 1 0 306.366 1.849 20 5 DDBDRO O=[N+]([O-])c1cc(Cl)ccc1CN1[C@H](CO)CC[C@H]1CO ZINC000347329318 410474330 /nfs/dbraw/zinc/47/43/30/410474330.db2.gz IFNAJRGXBPLJCE-RYUDHWBXSA-N 1 0 300.742 1.566 20 5 DDBDRO CCC[C@H]([NH2+]C(C)C)C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000352044132 410437530 /nfs/dbraw/zinc/43/75/30/410437530.db2.gz FJFAWLRTNNYUAL-ZDUSSCGKSA-N 1 0 319.365 2.576 20 5 DDBDRO CCC[N@@H+]1CCC[C@@H]1CNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000343615844 410573150 /nfs/dbraw/zinc/57/31/50/410573150.db2.gz RTBLTUWHOUHKOP-CYBMUJFWSA-N 1 0 320.393 1.997 20 5 DDBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000343568387 410539814 /nfs/dbraw/zinc/53/98/14/410539814.db2.gz KRGJYNYPXXAZLV-NSHDSACASA-N 1 0 306.366 1.781 20 5 DDBDRO CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)C[C@H](C)O ZINC000352202812 410543491 /nfs/dbraw/zinc/54/34/91/410543491.db2.gz MNIPCFRGUJJXTF-LBPRGKRZSA-N 1 0 309.366 1.935 20 5 DDBDRO C[NH+](C)C[C@@](C)(O)CNc1nc2ccccc2cc1[N+](=O)[O-] ZINC000352361058 410648992 /nfs/dbraw/zinc/64/89/92/410648992.db2.gz PWRNSPCEXGQOKK-HNNXBMFYSA-N 1 0 304.350 1.868 20 5 DDBDRO CC[C@H]1[NH2+]CC[C@H]1C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000352951124 410696685 /nfs/dbraw/zinc/69/66/85/410696685.db2.gz ZTXZXUZMOVLIDN-HUUCEWRRSA-N 1 0 303.362 1.868 20 5 DDBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000343789509 410699481 /nfs/dbraw/zinc/69/94/81/410699481.db2.gz VXQTXAHTWVIBEU-YHWZYXNKSA-N 1 0 317.345 1.026 20 5 DDBDRO CC[C@@H](C(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1)[NH+](C)C ZINC000359615861 410773323 /nfs/dbraw/zinc/77/33/23/410773323.db2.gz MQLYJZCMOQCTNI-ZDUSSCGKSA-N 1 0 307.350 1.656 20 5 DDBDRO C[NH+](C)CCOCCNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000359633811 410782827 /nfs/dbraw/zinc/78/28/27/410782827.db2.gz KNMKWPZTXMJELO-UHFFFAOYSA-N 1 0 314.317 1.434 20 5 DDBDRO COc1cc(C(=O)N(C)[C@@H]2C[NH+]3CCC2CC3)ccc1[N+](=O)[O-] ZINC000347960375 410813746 /nfs/dbraw/zinc/81/37/46/410813746.db2.gz XIMXYCSZNQZIBV-CQSZACIVSA-N 1 0 319.361 1.770 20 5 DDBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2c2ccc3ncc([N+](=O)[O-])n3n2)C1 ZINC000302709283 410849568 /nfs/dbraw/zinc/84/95/68/410849568.db2.gz DDRCDJFGXZZMDV-NWDGAFQWSA-N 1 0 316.365 1.558 20 5 DDBDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1cc([N+](=O)[O-])nn1C ZINC000356142859 410861260 /nfs/dbraw/zinc/86/12/60/410861260.db2.gz AVRSMYMYTUOGGR-LBPRGKRZSA-N 1 0 323.397 1.713 20 5 DDBDRO COc1ccc(NC(=O)C[NH2+][C@@H](CO)C(C)C)c([N+](=O)[O-])c1 ZINC000359807183 410892019 /nfs/dbraw/zinc/89/20/19/410892019.db2.gz LFWUJEPMUAIAQA-LBPRGKRZSA-N 1 0 311.338 1.148 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H](C)c1cnn(C)c1 ZINC000348323853 410920921 /nfs/dbraw/zinc/92/09/21/410920921.db2.gz PQVGFUNUUZSPDA-NSHDSACASA-N 1 0 317.349 1.926 20 5 DDBDRO COC(=O)COc1ccc(C[NH2+]C[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000353736352 411120198 /nfs/dbraw/zinc/12/01/98/411120198.db2.gz JTMOQOHUNPKWSI-LBPRGKRZSA-N 1 0 324.333 1.273 20 5 DDBDRO Cc1ccc(S(=O)(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000132352920 196248237 /nfs/dbraw/zinc/24/82/37/196248237.db2.gz JVHYVGOZYPSKFB-GHMZBOCLSA-N 1 0 313.379 1.261 20 5 DDBDRO [NH3+][C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000133148987 196316497 /nfs/dbraw/zinc/31/64/97/196316497.db2.gz MTKOIRTWTQVSST-JTQLQIEISA-N 1 0 319.770 1.264 20 5 DDBDRO [NH3+][C@@H](CNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000133162518 196317195 /nfs/dbraw/zinc/31/71/95/196317195.db2.gz OEJXAFLARFWGNK-VIFPVBQESA-N 1 0 319.770 1.264 20 5 DDBDRO CN1CCO[C@H](CNc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000486939860 416555121 /nfs/dbraw/zinc/55/51/21/416555121.db2.gz OTWYBDNKMHXYKN-GFCCVEGCSA-N 1 0 319.321 1.387 20 5 DDBDRO CNc1nccc(C(=O)N(CC[NH+](C)C)C2CC2)c1[N+](=O)[O-] ZINC000517756132 416823663 /nfs/dbraw/zinc/82/36/63/416823663.db2.gz FUHJBONLNGBRTQ-UHFFFAOYSA-N 1 0 307.354 1.198 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@H](C)CCC[NH3+] ZINC000417187047 225236455 /nfs/dbraw/zinc/23/64/55/225236455.db2.gz ULLYIJMMSCSGDV-SNVBAGLBSA-N 1 0 310.354 1.530 20 5 DDBDRO C[C@@H](NC(=O)NCC1=CC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000417128083 225218613 /nfs/dbraw/zinc/21/86/13/225218613.db2.gz HSXWIMPMWXJCMF-LLVKDONJSA-N 1 0 304.350 1.875 20 5 DDBDRO [NH3+]CC[C@H]1CCCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000417239182 225260450 /nfs/dbraw/zinc/26/04/50/225260450.db2.gz ZUJBWKQCYWHJTH-CQSZACIVSA-N 1 0 320.393 1.908 20 5 DDBDRO C[C@@H](CO)[C@@H](C)[NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000295877181 225338754 /nfs/dbraw/zinc/33/87/54/225338754.db2.gz ZLTYKRRZFOLWKI-DTWKUNHWSA-N 1 0 315.757 1.793 20 5 DDBDRO Cc1ccc(S(=O)(=O)N(C)[C@@H](C[NH3+])C2CC2)c([N+](=O)[O-])c1 ZINC000359998636 306970114 /nfs/dbraw/zinc/97/01/14/306970114.db2.gz FIYXLQWJPOBYCT-LBPRGKRZSA-N 1 0 313.379 1.261 20 5 DDBDRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000417954159 225521326 /nfs/dbraw/zinc/52/13/26/225521326.db2.gz ZXZGAXQLMKDSPS-BXUZGUMPSA-N 1 0 306.366 1.435 20 5 DDBDRO CN(C(=O)CN(C)C1(C[NH3+])CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000420320325 226462522 /nfs/dbraw/zinc/46/25/22/226462522.db2.gz BIFHKWNDLFLZOD-UHFFFAOYSA-N 1 0 306.366 1.371 20 5 DDBDRO Cc1ccc(S(=O)(=O)NC(C)(C)CC[NH3+])c([N+](=O)[O-])c1 ZINC000422552884 227046681 /nfs/dbraw/zinc/04/66/81/227046681.db2.gz IOCLOCKSBHCQPC-UHFFFAOYSA-N 1 0 301.368 1.309 20 5 DDBDRO CCOC(=O)C[C@@](C)([NH2+]Cc1c([N+](=O)[O-])ncn1C)C(C)C ZINC000360677255 418490127 /nfs/dbraw/zinc/49/01/27/418490127.db2.gz XNHXGVBRQKWWPY-CQSZACIVSA-N 1 0 312.370 1.786 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[C@H]2C[NH2+]CCC[C@@H]21 ZINC000366840160 418525561 /nfs/dbraw/zinc/52/55/61/418525561.db2.gz IVWWRKPXVZYYAL-STQMWFEESA-N 1 0 321.381 1.090 20 5 DDBDRO C[C@H]([NH3+])CNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000194845346 418549766 /nfs/dbraw/zinc/54/97/66/418549766.db2.gz RNHBSEINRIDXCJ-LURJTMIESA-N 1 0 302.128 1.434 20 5 DDBDRO CO[C@H]1CCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000374679138 418554170 /nfs/dbraw/zinc/55/41/70/418554170.db2.gz MOMVAUZIIUYITG-ZDUSSCGKSA-N 1 0 307.350 1.695 20 5 DDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CCC[N@H+](CCOC)CC1 ZINC000360955724 418554531 /nfs/dbraw/zinc/55/45/31/418554531.db2.gz XTDQFJZUZRXRII-UHFFFAOYSA-N 1 0 311.386 1.278 20 5 DDBDRO C[C@@H]1C[N@@H+](C2CCN(c3ccc(N)cc3[N+](=O)[O-])CC2)CCO1 ZINC000367064700 418556818 /nfs/dbraw/zinc/55/68/18/418556818.db2.gz COGFSDCZGRDMTK-GFCCVEGCSA-N 1 0 320.393 1.867 20 5 DDBDRO C[C@H]1C[NH+](CCCCNc2ccncc2[N+](=O)[O-])C[C@H](C)O1 ZINC000361073602 418576903 /nfs/dbraw/zinc/57/69/03/418576903.db2.gz LTLZZBJOFALYQU-STQMWFEESA-N 1 0 308.382 1.713 20 5 DDBDRO C[C@H](C[NH+]1CCCCCC1)NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000194029894 222169374 /nfs/dbraw/zinc/16/93/74/222169374.db2.gz WWJXOVABXJYHRS-LLVKDONJSA-N 1 0 322.365 1.690 20 5 DDBDRO CC[N@H+](C[C@H](C)OC)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000291312706 222305498 /nfs/dbraw/zinc/30/54/98/222305498.db2.gz TWUHCQHEWCQJPF-STQMWFEESA-N 1 0 312.366 1.691 20 5 DDBDRO Cc1ccc(CN2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1[N+](=O)[O-] ZINC000367461259 418601515 /nfs/dbraw/zinc/60/15/15/418601515.db2.gz UBWYAPNUYYCMIM-RDJZCZTQSA-N 1 0 319.405 1.934 20 5 DDBDRO Cc1cc(C(=O)N2CC[C@@]3(CCC[C@H]3[NH3+])C2)c(N)c([N+](=O)[O-])c1 ZINC000375458998 418642115 /nfs/dbraw/zinc/64/21/15/418642115.db2.gz RXCADTMYOXMLAJ-CJNGLKHVSA-N 1 0 318.377 1.829 20 5 DDBDRO CC1(C)[C@@H](O)CC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000361422320 418650913 /nfs/dbraw/zinc/65/09/13/418650913.db2.gz ZRYGHMCAZPLXEI-ZDUSSCGKSA-N 1 0 307.350 1.769 20 5 DDBDRO CC[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000361593757 418689790 /nfs/dbraw/zinc/68/97/90/418689790.db2.gz HICVYHGTKJRNPY-ZIAGYGMSSA-N 1 0 310.350 1.445 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](CC[NH3+])C(F)F ZINC000383288871 418733590 /nfs/dbraw/zinc/73/35/90/418733590.db2.gz LCABASXLHUUBBJ-SECBINFHSA-N 1 0 323.321 1.164 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1CN1CCC[N@@H+]([C@H](C)CO)CC1 ZINC000364922021 418822525 /nfs/dbraw/zinc/82/25/25/418822525.db2.gz LUSBLPVFAFVWCZ-CQSZACIVSA-N 1 0 307.394 1.792 20 5 DDBDRO C[C@H](CO)[N@@H+]1CCCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000364932852 418824727 /nfs/dbraw/zinc/82/47/27/418824727.db2.gz KRYWPAUYNHKPAH-CYBMUJFWSA-N 1 0 321.377 1.052 20 5 DDBDRO C[N@@H+]1CC[C@H](CNc2ncc([N+](=O)[O-])cn2)[C@@H]1c1cccs1 ZINC000364961223 418827732 /nfs/dbraw/zinc/82/77/32/418827732.db2.gz YAOHNDLEYFUKHU-ZWNOBZJWSA-N 1 0 319.390 2.551 20 5 DDBDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411430316 418903322 /nfs/dbraw/zinc/90/33/22/418903322.db2.gz OALBNPRODBTTJM-QWHCGFSZSA-N 1 0 320.393 1.948 20 5 DDBDRO NC(=O)c1ccc(N2CCC[N@@H+]3CCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000372945099 418915329 /nfs/dbraw/zinc/91/53/29/418915329.db2.gz CXYOELFSFUQRHN-LBPRGKRZSA-N 1 0 304.350 1.368 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424424495 228269510 /nfs/dbraw/zinc/26/95/10/228269510.db2.gz WVXXNVPCPLUQCV-GHMZBOCLSA-N 1 0 308.338 1.995 20 5 DDBDRO Cc1ccc([C@@H](C)NC(=O)N2CC[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000417860078 419358520 /nfs/dbraw/zinc/35/85/20/419358520.db2.gz XPCIWLXMSRBYAC-NEPJUHHUSA-N 1 0 306.366 1.954 20 5 DDBDRO CCCC[C@H](C[NH3+])NC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000417948507 419410032 /nfs/dbraw/zinc/41/00/32/419410032.db2.gz TVAFADISZKEPBS-CYBMUJFWSA-N 1 0 308.382 1.954 20 5 DDBDRO Cc1cc(OCC(=O)N(C)C[C@@H]2CCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000421711530 419698584 /nfs/dbraw/zinc/69/85/84/419698584.db2.gz OOGHTXGXFTZLEY-ZDUSSCGKSA-N 1 0 321.377 1.835 20 5 DDBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@H](C[NH3+])C1CC1 ZINC000418414258 419785456 /nfs/dbraw/zinc/78/54/56/419785456.db2.gz ZONXWVMYEAZOHI-CYBMUJFWSA-N 1 0 306.366 1.516 20 5 DDBDRO C[NH2+]CCCNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000428120392 419814912 /nfs/dbraw/zinc/81/49/12/419814912.db2.gz RLXWKAKKMBCVLA-UHFFFAOYSA-N 1 0 316.155 1.697 20 5 DDBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000414932426 419877948 /nfs/dbraw/zinc/87/79/48/419877948.db2.gz RBXQHEKUBICHDF-LALPHHSUSA-N 1 0 320.393 1.900 20 5 DDBDRO C[C@H]1C[C@H](NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CC[NH2+]1 ZINC000418609014 419899014 /nfs/dbraw/zinc/89/90/14/419899014.db2.gz SEHJCSAIBOQTEW-SMDDNHRTSA-N 1 0 318.377 1.803 20 5 DDBDRO C[C@H]1C[C@@H](NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000418615689 419902006 /nfs/dbraw/zinc/90/20/06/419902006.db2.gz YEQLGWNXMMWLCB-JSGCOSHPSA-N 1 0 320.393 1.919 20 5 DDBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CNCCN1C ZINC000414981203 419904292 /nfs/dbraw/zinc/90/42/92/419904292.db2.gz XKFSDMNBLANJGQ-UKRRQHHQSA-N 1 0 306.410 1.409 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000434444370 229296782 /nfs/dbraw/zinc/29/67/82/229296782.db2.gz BZTWYNXXCIRIPR-NSHDSACASA-N 1 0 307.354 1.075 20 5 DDBDRO C[C@H](CCC[NH3+])NC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000418687468 419933876 /nfs/dbraw/zinc/93/38/76/419933876.db2.gz MBWGYOBTVSYPJS-LLVKDONJSA-N 1 0 322.365 1.495 20 5 DDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000418785828 419982927 /nfs/dbraw/zinc/98/29/27/419982927.db2.gz IGZNEJVZCNAXFW-AAEUAGOBSA-N 1 0 306.366 1.864 20 5 DDBDRO C[NH2+]C1CCN(C(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)CC1 ZINC000429401058 420014004 /nfs/dbraw/zinc/01/40/04/420014004.db2.gz AHKJUAMUEWHVCL-UHFFFAOYSA-N 1 0 323.349 1.436 20 5 DDBDRO CO[C@H]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2C)[C@H](C[NH3+])C1 ZINC000423497263 420062334 /nfs/dbraw/zinc/06/23/34/420062334.db2.gz GHUHVIAQJDJKLK-KBPBESRZSA-N 1 0 321.377 1.410 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000423645250 420111529 /nfs/dbraw/zinc/11/15/29/420111529.db2.gz QGSWJOGFZWBMPU-RYUDHWBXSA-N 1 0 319.361 1.675 20 5 DDBDRO COc1cc(C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc([N+](=O)[O-])c1C ZINC000423673798 420122842 /nfs/dbraw/zinc/12/28/42/420122842.db2.gz AKFRITHVQCCXMR-YPMHNXCESA-N 1 0 319.361 1.736 20 5 DDBDRO COc1ccc(NC(=O)C[NH2+]C[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000423718429 420141211 /nfs/dbraw/zinc/14/12/11/420141211.db2.gz CPNMPFZTVOMKOX-LLVKDONJSA-N 1 0 309.322 1.311 20 5 DDBDRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000415481450 420084326 /nfs/dbraw/zinc/08/43/26/420084326.db2.gz AQNAFACLLVSLDY-GFCCVEGCSA-N 1 0 320.349 1.052 20 5 DDBDRO COc1cc(C(=O)NCC[C@H]2CCC[NH2+]2)cc([N+](=O)[O-])c1C ZINC000423584920 420088266 /nfs/dbraw/zinc/08/82/66/420088266.db2.gz SLRYXVYRTXSCNY-GFCCVEGCSA-N 1 0 307.350 1.784 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(OCCO)CC1 ZINC000430205424 420090673 /nfs/dbraw/zinc/09/06/73/420090673.db2.gz MKQCVOCJVSSPSF-UHFFFAOYSA-N 1 0 310.350 1.577 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000423593176 420091563 /nfs/dbraw/zinc/09/15/63/420091563.db2.gz MKUZLTGVQUTUTD-QWRGUYRKSA-N 1 0 307.350 1.993 20 5 DDBDRO COC(=O)c1cc(C)nc(NC[C@H]2CCC[C@@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000420289430 420185470 /nfs/dbraw/zinc/18/54/70/420185470.db2.gz SUZZBZYDCVZKFG-WDEREUQCSA-N 1 0 322.365 2.014 20 5 DDBDRO CC(C)[C@@](C)(CN)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000420301704 420191315 /nfs/dbraw/zinc/19/13/15/420191315.db2.gz IUFZPBOSIQMUFZ-OAHLLOKOSA-N 1 0 308.382 1.886 20 5 DDBDRO [NH3+]C[C@@H]1CN(Cc2c(F)cccc2[N+](=O)[O-])CC12CCOCC2 ZINC000420320363 420206418 /nfs/dbraw/zinc/20/64/18/420206418.db2.gz BKIZZQUTNXLHBY-GFCCVEGCSA-N 1 0 323.368 1.921 20 5 DDBDRO C[NH2+]CC1CCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000430927960 420208016 /nfs/dbraw/zinc/20/80/16/420208016.db2.gz KAQSVTWKPVCXLE-LBPRGKRZSA-N 1 0 320.393 1.853 20 5 DDBDRO C[C@]1(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)CCCC[NH2+]1 ZINC000423723700 420143837 /nfs/dbraw/zinc/14/38/37/420143837.db2.gz MABOWZBLEVPGPP-CQSZACIVSA-N 1 0 303.322 1.942 20 5 DDBDRO C[C@@H]1CN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC[C@H]1[NH3+] ZINC000420180993 420143894 /nfs/dbraw/zinc/14/38/94/420143894.db2.gz DOBFBHPCIVTTJA-BXKDBHETSA-N 1 0 303.322 1.818 20 5 DDBDRO [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000415679666 420144736 /nfs/dbraw/zinc/14/47/36/420144736.db2.gz QDEDUPXAPIRGHB-NSHDSACASA-N 1 0 320.349 1.121 20 5 DDBDRO C[C@](C[NH3+])(NCc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1CC1 ZINC000430587673 420147755 /nfs/dbraw/zinc/14/77/55/420147755.db2.gz ABARLWHIDUGMRK-OAHLLOKOSA-N 1 0 317.349 1.862 20 5 DDBDRO C[C@H]([NH3+])[C@H]1CCCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000430597216 420151768 /nfs/dbraw/zinc/15/17/68/420151768.db2.gz QCILIPQIUMDNQH-STQMWFEESA-N 1 0 320.393 1.617 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CCC([NH3+])CC1 ZINC000430601179 420153448 /nfs/dbraw/zinc/15/34/48/420153448.db2.gz CVTQDYZTMYXGEH-SNVBAGLBSA-N 1 0 322.365 1.354 20 5 DDBDRO [NH3+]C1CCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000430607296 420155792 /nfs/dbraw/zinc/15/57/92/420155792.db2.gz YQRJIGOYCQNXOC-AWEZNQCLSA-N 1 0 304.350 1.123 20 5 DDBDRO [NH3+]C[C@@H]1CC[C@@H](Nc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000420264178 420173388 /nfs/dbraw/zinc/17/33/88/420173388.db2.gz CWXVVIMJCMLXLC-MWLCHTKSSA-N 1 0 303.322 2.184 20 5 DDBDRO O=C(CN1CC[C@@H]2C[NH2+]C[C@@H]21)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000420344228 420222234 /nfs/dbraw/zinc/22/22/34/420222234.db2.gz SERLZCMFQVYFBY-RNCFNFMXSA-N 1 0 324.768 1.480 20 5 DDBDRO O=[N+]([O-])c1ccc(-c2noc(CN3CC[C@@H]4C[NH2+]C[C@@H]43)n2)cc1 ZINC000420345369 420224206 /nfs/dbraw/zinc/22/42/06/420224206.db2.gz VZFMGMAULSKNOE-YPMHNXCESA-N 1 0 315.333 1.439 20 5 DDBDRO CC1(C)C[NH2+]CC[C@@H]1NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000420359620 420232738 /nfs/dbraw/zinc/23/27/38/420232738.db2.gz GFEOJMCCGGLOQI-ZDUSSCGKSA-N 1 0 306.366 1.511 20 5 DDBDRO Cc1ccc(S(=O)(=O)N[C@H]2CCC[NH2+][C@H]2C)c([N+](=O)[O-])c1 ZINC000420471915 420306936 /nfs/dbraw/zinc/30/69/36/420306936.db2.gz BWHVGSHNZXWRFZ-QWRGUYRKSA-N 1 0 313.379 1.322 20 5 DDBDRO C[C@@H]1C[C@H](C)N(C(=O)CCn2cc([N+](=O)[O-])cn2)C[C@@H]1C[NH3+] ZINC000424070280 420309889 /nfs/dbraw/zinc/30/98/89/420309889.db2.gz JSEBPXKJNJQEMZ-WOPDTQHZSA-N 1 0 309.370 1.013 20 5 DDBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1c1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420635550 420336715 /nfs/dbraw/zinc/33/67/15/420336715.db2.gz ZLDIJIYXCHTNNG-NWDGAFQWSA-N 1 0 318.377 1.757 20 5 DDBDRO Cc1cc(C)cc(C[N@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000444699055 230122602 /nfs/dbraw/zinc/12/26/02/230122602.db2.gz DQLPWOKCBDDLBB-MRXNPFEDSA-N 1 0 318.377 1.901 20 5 DDBDRO CN(CC1([NH+](C)C)CCC1)c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000302491068 230267201 /nfs/dbraw/zinc/26/72/01/230267201.db2.gz KAQJYFUJQORUEN-UHFFFAOYSA-N 1 0 304.354 1.558 20 5 DDBDRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000417771378 420473936 /nfs/dbraw/zinc/47/39/36/420473936.db2.gz UZDKWMHGMFLTQV-YPMHNXCESA-N 1 0 306.366 1.435 20 5 DDBDRO CCn1cncc1CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000417789200 420479954 /nfs/dbraw/zinc/47/99/54/420479954.db2.gz IZFBAWCODMNUHA-GFCCVEGCSA-N 1 0 316.365 1.893 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000450852623 420545158 /nfs/dbraw/zinc/54/51/58/420545158.db2.gz CYKWMOPOKZQZQM-UHTWSYAYSA-N 1 0 306.366 1.766 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[N@H+]2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)n1 ZINC000451345394 420596013 /nfs/dbraw/zinc/59/60/13/420596013.db2.gz QROGHMBOQHWSSC-MJBXVCDLSA-N 1 0 308.382 1.807 20 5 DDBDRO CCCc1n[nH]c(C(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000457114142 420619228 /nfs/dbraw/zinc/61/92/28/420619228.db2.gz KGGZXCAPRSYCHI-LLVKDONJSA-N 1 0 323.397 1.825 20 5 DDBDRO C[C@@H](CNC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)c1ccccc1[N+](=O)[O-] ZINC001120577574 782033206 /nfs/dbraw/zinc/03/32/06/782033206.db2.gz DOYMGRALKXHGCM-ZOWXZIJZSA-N 1 0 318.377 1.702 20 5 DDBDRO O=C(/C=C\c1cccc([N+](=O)[O-])c1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000493617475 420897947 /nfs/dbraw/zinc/89/79/47/420897947.db2.gz AXQFRQNDUSZPHG-QZDDGCDVSA-N 1 0 301.346 1.961 20 5 DDBDRO C[N@H+]1C[C@H]2CN(C(=O)/C=C\c3ccc(F)cc3[N+](=O)[O-])C[C@H]2C1 ZINC000493594427 420892825 /nfs/dbraw/zinc/89/28/25/420892825.db2.gz UCTFPLLMKMVFEG-VFWWJLHSSA-N 1 0 319.336 1.767 20 5 DDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000449201335 420969679 /nfs/dbraw/zinc/96/96/79/420969679.db2.gz IMHREPYVZUDMPX-HUUCEWRRSA-N 1 0 317.389 1.985 20 5 DDBDRO O=C(N[C@H]1C[NH2+]CCC1(F)F)c1cc(F)cc([N+](=O)[O-])c1 ZINC000449667182 421052619 /nfs/dbraw/zinc/05/26/19/421052619.db2.gz QQOHEDNYYBAZDV-JTQLQIEISA-N 1 0 303.240 1.461 20 5 DDBDRO CNc1nc(C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000455769099 421060071 /nfs/dbraw/zinc/06/00/71/421060071.db2.gz YUSJAPJMERAGML-UWVGGRQHSA-N 1 0 307.354 1.244 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)CNc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000456172229 421113000 /nfs/dbraw/zinc/11/30/00/421113000.db2.gz SFSADMINTCZGBD-RISCZKNCSA-N 1 0 304.350 1.169 20 5 DDBDRO CC(C)[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2N)CC[N@@H+]1C ZINC000489396197 421151732 /nfs/dbraw/zinc/15/17/32/421151732.db2.gz MJYDABSNKUOQSS-ZDUSSCGKSA-N 1 0 306.366 1.589 20 5 DDBDRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000456379834 421154846 /nfs/dbraw/zinc/15/48/46/421154846.db2.gz NISFKJVQZWTSBB-LLVKDONJSA-N 1 0 308.338 1.252 20 5 DDBDRO COCC[N@H+](C)CCCNc1nccc2c1cccc2[N+](=O)[O-] ZINC000450259203 421173903 /nfs/dbraw/zinc/17/39/03/421173903.db2.gz VPJJQMBKQSZEQQ-UHFFFAOYSA-N 1 0 318.377 2.523 20 5 DDBDRO C[C@H]1CC[N@H+](CCNC(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000524720014 421267305 /nfs/dbraw/zinc/26/73/05/421267305.db2.gz UQERUYDFQHVAER-LBPRGKRZSA-N 1 0 307.350 1.432 20 5 DDBDRO C[NH+](C)[C@@H](CNC(=O)c1c[nH]nc1[N+](=O)[O-])c1ccccc1 ZINC000547751501 421363499 /nfs/dbraw/zinc/36/34/99/421363499.db2.gz AHZYDULATWWANB-LBPRGKRZSA-N 1 0 303.322 1.351 20 5 DDBDRO C[C@H]1C[C@H](C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC[NH2+]1 ZINC000562743413 421409597 /nfs/dbraw/zinc/40/95/97/421409597.db2.gz VEZPKAWQRLHNDA-UONOGXRCSA-N 1 0 319.409 1.500 20 5 DDBDRO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1c[nH]nc1[N+](=O)[O-] ZINC000548408050 421435961 /nfs/dbraw/zinc/43/59/61/421435961.db2.gz FHXJSYIPSYCCTH-LBPRGKRZSA-N 1 0 315.333 1.322 20 5 DDBDRO C[NH+](C)C1CCC(NC(=O)c2ccnc(N)c2[N+](=O)[O-])CC1 ZINC000514739461 421451885 /nfs/dbraw/zinc/45/18/85/421451885.db2.gz QKEDRZDFCOAYLS-UHFFFAOYSA-N 1 0 307.354 1.175 20 5 DDBDRO CN1CCN(C)[C@@H](C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000563418846 421506545 /nfs/dbraw/zinc/50/65/45/421506545.db2.gz QINQVXDWMRYTBR-SWLSCSKDSA-N 1 0 304.394 1.418 20 5 DDBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)NCc3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC000516261606 421536891 /nfs/dbraw/zinc/53/68/91/421536891.db2.gz UDYDMTRQZTUEAK-BPLDGKMQSA-N 1 0 318.377 1.864 20 5 DDBDRO Cc1cc(C)cc(CC[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000517359715 421610526 /nfs/dbraw/zinc/61/05/26/421610526.db2.gz MUXGZEKLHHFCQN-INIZCTEOSA-N 1 0 318.377 1.601 20 5 DDBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1cc([N+](=O)[O-])cn1C ZINC000531477737 421634968 /nfs/dbraw/zinc/63/49/68/421634968.db2.gz YVXRACBKEQOCTQ-GFCCVEGCSA-N 1 0 312.370 1.020 20 5 DDBDRO C[C@H]1[NH2+]CC[C@H]1C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000519638695 421711226 /nfs/dbraw/zinc/71/12/26/421711226.db2.gz DDTMAMYBQZLVKI-BXKDBHETSA-N 1 0 315.333 1.921 20 5 DDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000571577374 421727881 /nfs/dbraw/zinc/72/78/81/421727881.db2.gz OWLBBQTYIFDNEC-MNOVXSKESA-N 1 0 318.377 1.992 20 5 DDBDRO C[N@@H+]1CC[C@@H](C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000522145310 421816458 /nfs/dbraw/zinc/81/64/58/421816458.db2.gz VLXFVGUEZLQMHT-CYBMUJFWSA-N 1 0 318.377 1.195 20 5 DDBDRO C[N@H+](CCNC(=O)NCCOc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000522142480 421817384 /nfs/dbraw/zinc/81/73/84/421817384.db2.gz BIBVSMGFAJOWON-UHFFFAOYSA-N 1 0 322.365 1.367 20 5 DDBDRO O=C([C@H]1CCn2ccnc2C1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000582403654 422146739 /nfs/dbraw/zinc/14/67/39/422146739.db2.gz HOHKFYHZVPFXQA-NSHDSACASA-N 1 0 312.329 1.943 20 5 DDBDRO O=C(NC1CC[NH+](C2CCC2)CC1)c1ccc([N+](=O)[O-])cn1 ZINC000584037475 422244669 /nfs/dbraw/zinc/24/46/69/422244669.db2.gz UTPNSWOVTLTJSB-UHFFFAOYSA-N 1 0 304.350 1.737 20 5 DDBDRO O=C([C@@H]1CCCCC[NH2+]1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000575060581 422248744 /nfs/dbraw/zinc/24/87/44/422248744.db2.gz FAVWTLDLXTUZCE-ZDUSSCGKSA-N 1 0 321.381 1.487 20 5 DDBDRO CC(C)C[N@H+](C)CCCNC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000594371567 422346296 /nfs/dbraw/zinc/34/62/96/422346296.db2.gz LSVCOVRIGBJCJF-UHFFFAOYSA-N 1 0 309.370 1.280 20 5 DDBDRO COc1cccc([N+](=O)[O-])c1N1CCN(CCO)C(C)(C)C1 ZINC000594572575 422350387 /nfs/dbraw/zinc/35/03/87/422350387.db2.gz NSJAALGSHZFCCZ-UHFFFAOYSA-N 1 0 309.366 1.496 20 5 DDBDRO Nc1ccc(N[C@@H]2CC[N@@H+](C3CCCCC3)C2)nc1[N+](=O)[O-] ZINC000596481101 422378049 /nfs/dbraw/zinc/37/80/49/422378049.db2.gz XIMMDSJEFSDMQS-LLVKDONJSA-N 1 0 305.382 2.391 20 5 DDBDRO Cc1nn(Cc2nc(C(C)(C)[NH3+])no2)c2ccc([N+](=O)[O-])cc12 ZINC000578354275 422554540 /nfs/dbraw/zinc/55/45/40/422554540.db2.gz VQVGJOSHUGZCBD-UHFFFAOYSA-N 1 0 316.321 1.878 20 5 DDBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC1(N(C)C)CC1 ZINC000417382824 533685886 /nfs/dbraw/zinc/68/58/86/533685886.db2.gz OIEVEBZGYNIFPC-GFCCVEGCSA-N 1 0 320.393 1.996 20 5 DDBDRO Cc1csc(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])n1 ZINC000578880417 422666663 /nfs/dbraw/zinc/66/66/63/422666663.db2.gz GMOYVQXYEOUUNR-NSHDSACASA-N 1 0 323.374 1.889 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000341583122 271127318 /nfs/dbraw/zinc/12/73/18/271127318.db2.gz UISULLXAWUIHOU-OCCSQVGLSA-N 1 0 307.350 1.257 20 5 DDBDRO COc1cc(C[NH2+][C@H]2CCC(=O)N[C@H]2C2CC2)ccc1[N+](=O)[O-] ZINC000342053281 271282905 /nfs/dbraw/zinc/28/29/05/271282905.db2.gz WFYXPUPVKGMKNU-LRDDRELGSA-N 1 0 319.361 1.750 20 5 DDBDRO C[NH+](C)CCc1ccc(CNC(=O)c2cc([N+](=O)[O-])c[nH]2)cc1 ZINC000342358034 271388044 /nfs/dbraw/zinc/38/80/44/271388044.db2.gz OJTBOGIEEMVKHG-UHFFFAOYSA-N 1 0 316.361 1.957 20 5 DDBDRO CCOc1cc(C(=O)NC[C@H]2CC[NH2+]C2)c([N+](=O)[O-])cc1OC ZINC000342732680 271493376 /nfs/dbraw/zinc/49/33/76/271493376.db2.gz KVIGJJYTOCVGSE-JTQLQIEISA-N 1 0 323.349 1.341 20 5 DDBDRO C[C@@H]1[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)CCC[N@@H+]1C ZINC000345321783 272219145 /nfs/dbraw/zinc/21/91/45/272219145.db2.gz OUQYRXIADAGGPE-LDYMZIIASA-N 1 0 310.329 1.529 20 5 DDBDRO Cc1ccc(NC(=O)NCCNc2cc[nH+]cc2)cc1[N+](=O)[O-] ZINC000345771710 272330471 /nfs/dbraw/zinc/33/04/71/272330471.db2.gz VYXVQSURCJKPDX-UHFFFAOYSA-N 1 0 315.333 1.954 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC000345883204 272356832 /nfs/dbraw/zinc/35/68/32/272356832.db2.gz YUHOHHCHOJRLKI-VXGBXAGGSA-N 1 0 323.397 1.479 20 5 DDBDRO C[C@@H]1CN(c2cc(N)ccc2[N+](=O)[O-])CC[N@@H+]1CC(C)(C)O ZINC000193522072 274362155 /nfs/dbraw/zinc/36/21/55/274362155.db2.gz YGXFCQYJZABWQZ-LLVKDONJSA-N 1 0 308.382 1.458 20 5 DDBDRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000277443159 274377357 /nfs/dbraw/zinc/37/73/57/274377357.db2.gz GYNQOFWQGFXNBY-PELKAZGASA-N 1 0 308.294 1.231 20 5 DDBDRO C[C@H](O)C[NH+]1CCN(c2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000294851513 274539012 /nfs/dbraw/zinc/53/90/12/274539012.db2.gz CFPHFDWKZKDQGD-LBPRGKRZSA-N 1 0 316.361 1.646 20 5 DDBDRO O=[N+]([O-])c1cnc2ccc(N3CCC[N@@H+](C4CC4)CC3)nn21 ZINC000179288331 275041582 /nfs/dbraw/zinc/04/15/82/275041582.db2.gz NJHCCKQIYBGAGP-UHFFFAOYSA-N 1 0 302.338 1.312 20 5 DDBDRO CC[N@H+](C)CCNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000158959721 276071382 /nfs/dbraw/zinc/07/13/82/276071382.db2.gz QETUVBIGLRJRSE-UHFFFAOYSA-N 1 0 315.395 1.008 20 5 DDBDRO CCOC[C@H](O)C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447538285 276333540 /nfs/dbraw/zinc/33/35/40/276333540.db2.gz BJDJPHWZMKHFNL-FRRDWIJNSA-N 1 0 312.370 1.262 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[C@H]2C[NH3+])c1 ZINC000422871550 276376626 /nfs/dbraw/zinc/37/66/26/276376626.db2.gz ZBUSCAJKXADDJF-GXFFZTMASA-N 1 0 307.350 1.851 20 5 DDBDRO C[N@@H+]1CCC[C@H]1CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000299289169 277081115 /nfs/dbraw/zinc/08/11/15/277081115.db2.gz PDDYQCIPQLDCLJ-JTQLQIEISA-N 1 0 321.333 1.190 20 5 DDBDRO C[NH2+]C[C@H]1CCCN1S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000124827735 277285759 /nfs/dbraw/zinc/28/57/59/277285759.db2.gz LPLMMJOJOQJVEV-SECBINFHSA-N 1 0 317.342 1.106 20 5 DDBDRO COC(=O)Cc1ccc(N2CCC[C@@H]([NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000295453619 277331529 /nfs/dbraw/zinc/33/15/29/277331529.db2.gz HHOPLSAHGVVFJQ-CYBMUJFWSA-N 1 0 321.377 1.841 20 5 DDBDRO COC[C@]1(CN[C@@H](C)Cc2ccccc2[N+](=O)[O-])CCC[NH2+]1 ZINC000423408910 277609473 /nfs/dbraw/zinc/60/94/73/277609473.db2.gz BBTVIQQMTUVADC-XJKSGUPXSA-N 1 0 307.394 1.884 20 5 DDBDRO CC(C)CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000137066038 278823709 /nfs/dbraw/zinc/82/37/09/278823709.db2.gz DOTFUUGCRIISRA-UHFFFAOYSA-N 1 0 309.370 1.510 20 5 DDBDRO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000418475546 279641825 /nfs/dbraw/zinc/64/18/25/279641825.db2.gz SPWVQVSCIPAEGV-SWLSCSKDSA-N 1 0 318.377 1.790 20 5 DDBDRO CC(C)[C@H]([NH3+])CN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000423278873 280286836 /nfs/dbraw/zinc/28/68/36/280286836.db2.gz RGKNPHUZOHIROR-CABCVRRESA-N 1 0 317.393 1.991 20 5 DDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000071397264 280369463 /nfs/dbraw/zinc/36/94/63/280369463.db2.gz VHOZPXHHIRVGHD-MRVPVSSYSA-N 1 0 319.770 1.279 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000452784243 281257652 /nfs/dbraw/zinc/25/76/52/281257652.db2.gz OETKDMTYJDSHDZ-ZDUSSCGKSA-N 1 0 321.377 1.480 20 5 DDBDRO Cc1oncc1CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000129081113 281331098 /nfs/dbraw/zinc/33/10/98/281331098.db2.gz RPQNKHORYFZPFY-LBPRGKRZSA-N 1 0 303.322 1.973 20 5 DDBDRO CCc1ccc(C(=O)N2CCCO[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000424015956 281394906 /nfs/dbraw/zinc/39/49/06/281394906.db2.gz DCJCWHWIQKVEQR-CYBMUJFWSA-N 1 0 307.350 1.347 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NCC[NH+](C)C ZINC000136442392 281617188 /nfs/dbraw/zinc/61/71/88/281617188.db2.gz PDQSDSZNABTOEU-UHFFFAOYSA-N 1 0 301.368 1.052 20 5 DDBDRO C[C@@H](c1ccccc1F)[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000246725805 282010472 /nfs/dbraw/zinc/01/04/72/282010472.db2.gz MHADJYQXKOJFQJ-WCQYABFASA-N 1 0 322.340 1.984 20 5 DDBDRO C[NH+](C)C1(CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000416293971 282042793 /nfs/dbraw/zinc/04/27/93/282042793.db2.gz WYXXTDBOBCCIEL-UHFFFAOYSA-N 1 0 321.333 1.190 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCCOCC[NH+](C)C ZINC000361436090 299867633 /nfs/dbraw/zinc/86/76/33/299867633.db2.gz ROEVDUKSGDTZQE-UHFFFAOYSA-N 1 0 324.381 1.911 20 5 DDBDRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000237978103 295266514 /nfs/dbraw/zinc/26/65/14/295266514.db2.gz LJUVQDJNHQLKMW-NEPJUHHUSA-N 1 0 306.366 1.640 20 5 DDBDRO COc1cccc(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)c1[N+](=O)[O-] ZINC000192572308 295287497 /nfs/dbraw/zinc/28/74/97/295287497.db2.gz OQQUABFCAZSULY-NWDGAFQWSA-N 1 0 319.361 1.912 20 5 DDBDRO CC[C@@H](CO)[NH+]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000353996833 298334191 /nfs/dbraw/zinc/33/41/91/298334191.db2.gz GHIUXUQVNRVYPE-WRLNGNIRSA-N 1 0 319.405 1.997 20 5 DDBDRO [NH3+]C[C@H]1c2ccccc2CCN1C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000573610662 304603538 /nfs/dbraw/zinc/60/35/38/304603538.db2.gz LNACTNFBKCCLNN-LBPRGKRZSA-N 1 0 301.306 1.016 20 5 DDBDRO Cn1cc([N+](=O)[O-])c(C(=O)NCCCCC[NH+]2CCCC2)n1 ZINC000357088111 298960200 /nfs/dbraw/zinc/96/02/00/298960200.db2.gz NNOVHJGXZJEHMQ-UHFFFAOYSA-N 1 0 309.370 1.324 20 5 DDBDRO CC(C)[C@H](CO)[NH2+]CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000362184632 300023646 /nfs/dbraw/zinc/02/36/46/300023646.db2.gz VOXRNSPYVJDFAX-LBPRGKRZSA-N 1 0 323.349 1.499 20 5 DDBDRO [NH3+][C@H]1CCC[C@@]12CCN(C(=O)COc1ccc([N+](=O)[O-])cc1)C2 ZINC000364262345 300364885 /nfs/dbraw/zinc/36/48/85/300364885.db2.gz VMWPPNKXSWBKNY-HOCLYGCPSA-N 1 0 319.361 1.704 20 5 DDBDRO O=C1CC[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)[C@@H](C2CC2)N1 ZINC000367465102 300849486 /nfs/dbraw/zinc/84/94/86/300849486.db2.gz YCRRMSWCFOQJDA-GDBMZVCRSA-N 1 0 303.362 1.784 20 5 DDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000367649497 300868439 /nfs/dbraw/zinc/86/84/39/300868439.db2.gz UBJDDDSJOLTPPO-ABAIWWIYSA-N 1 0 318.377 1.781 20 5 DDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000367649498 300868442 /nfs/dbraw/zinc/86/84/42/300868442.db2.gz UBJDDDSJOLTPPO-IAQYHMDHSA-N 1 0 318.377 1.781 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC(OC3CCOCC3)CC2)n1 ZINC000368736374 301082779 /nfs/dbraw/zinc/08/27/79/301082779.db2.gz QGZALLNXVJBIIU-UHFFFAOYSA-N 1 0 324.381 1.451 20 5 DDBDRO O=C1O[C@@H](C[N@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)CC12CC2 ZINC000369007171 301118246 /nfs/dbraw/zinc/11/82/46/301118246.db2.gz GRHCOKNDLRSWQB-WCQYABFASA-N 1 0 320.349 1.524 20 5 DDBDRO Cc1cc(C)c(S(=O)(=O)N[C@@H](C)[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000420447364 301198243 /nfs/dbraw/zinc/19/82/43/301198243.db2.gz VGBLYIANQHESIF-UWVGGRQHSA-N 1 0 301.368 1.226 20 5 DDBDRO Cc1cc([C@H]2CCCN(Cc3c([N+](=O)[O-])ncn3C)C2)n[nH]1 ZINC000370044645 301264761 /nfs/dbraw/zinc/26/47/61/301264761.db2.gz FYPOOOUBARLADY-NSHDSACASA-N 1 0 304.354 1.739 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1CN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000370045524 301265080 /nfs/dbraw/zinc/26/50/80/301265080.db2.gz MBKZBCNIERPKFC-ZDUSSCGKSA-N 1 0 307.398 1.779 20 5 DDBDRO CC(C)C[N@@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC1 ZINC000370063260 301268888 /nfs/dbraw/zinc/26/88/88/301268888.db2.gz ABDBLWGXTNEWFR-UHFFFAOYSA-N 1 0 322.365 1.499 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1CN1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000371826072 301503885 /nfs/dbraw/zinc/50/38/85/301503885.db2.gz CYXOEJPIQYUTLX-ZDUSSCGKSA-N 1 0 307.398 1.779 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000372917268 301632061 /nfs/dbraw/zinc/63/20/61/301632061.db2.gz YVDTZRRSQDHSSG-ZWNOBZJWSA-N 1 0 305.334 1.427 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000435246861 302041102 /nfs/dbraw/zinc/04/11/02/302041102.db2.gz TWXSEXMNPUCSSD-CYBMUJFWSA-N 1 0 318.377 1.668 20 5 DDBDRO COc1cc(OCC(=O)N[C@H]2CCC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000376385539 302069853 /nfs/dbraw/zinc/06/98/53/302069853.db2.gz LFAIINLVDBSKHS-NSHDSACASA-N 1 0 323.349 1.241 20 5 DDBDRO O=C(Cc1ccccc1[N+](=O)[O-])NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000377475390 302182680 /nfs/dbraw/zinc/18/26/80/302182680.db2.gz MBRLWJCLNUGEMC-KBPBESRZSA-N 1 0 319.361 1.117 20 5 DDBDRO C[C@@H]1C[C@H](C)N(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000397318192 302353169 /nfs/dbraw/zinc/35/31/69/302353169.db2.gz MCIQNUJOSRLGSM-UHIISALHSA-N 1 0 320.393 1.499 20 5 DDBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1ccc([N+](=O)[O-])n1C ZINC000356300537 306847098 /nfs/dbraw/zinc/84/70/98/306847098.db2.gz OUKZSHYDNPETKN-VXGBXAGGSA-N 1 0 306.366 1.632 20 5 DDBDRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000514668080 302737184 /nfs/dbraw/zinc/73/71/84/302737184.db2.gz QUBJIKFLLZMXHX-UWVGGRQHSA-N 1 0 321.333 1.175 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@@H]1CCCOC1 ZINC000519564611 302841432 /nfs/dbraw/zinc/84/14/32/302841432.db2.gz ZQPCMMFFIXAYOB-QWHCGFSZSA-N 1 0 310.350 1.351 20 5 DDBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000357526089 306891610 /nfs/dbraw/zinc/89/16/10/306891610.db2.gz DPOVCGGZMFRUEN-CMPLNLGQSA-N 1 0 319.365 1.152 20 5 DDBDRO CCO[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000362009976 307012378 /nfs/dbraw/zinc/01/23/78/307012378.db2.gz BQVQQWOWJMTAQA-SWLSCSKDSA-N 1 0 310.350 1.887 20 5 DDBDRO CNC(=O)c1ccc(N2CC[C@@H]3CC[N@H+](C)C[C@H]32)c([N+](=O)[O-])c1 ZINC000365018718 307056572 /nfs/dbraw/zinc/05/65/72/307056572.db2.gz ORTLMWBXFZELFR-XHDPSFHLSA-N 1 0 318.377 1.485 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC[N@@H+]([C@H](C)CO)CC1 ZINC000365194451 307061641 /nfs/dbraw/zinc/06/16/41/307061641.db2.gz DEBNVBQEPMUKSX-CYBMUJFWSA-N 1 0 321.377 1.432 20 5 DDBDRO O=[N+]([O-])c1c(F)cccc1N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000368532952 307104683 /nfs/dbraw/zinc/10/46/83/307104683.db2.gz RWSOHNZUHNJRJM-TZMCWYRMSA-N 1 0 309.341 1.769 20 5 DDBDRO O=[N+]([O-])c1cnn(CCN2CCC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000371194708 307144323 /nfs/dbraw/zinc/14/43/23/307144323.db2.gz FVUKCJWEENMVFT-OAHLLOKOSA-N 1 0 321.425 1.989 20 5 DDBDRO O=C(COc1ccccc1[N+](=O)[O-])N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000371518343 307152450 /nfs/dbraw/zinc/15/24/50/307152450.db2.gz PZSJGTPFBMPSGF-CYBMUJFWSA-N 1 0 319.361 1.670 20 5 DDBDRO O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000373972936 307198874 /nfs/dbraw/zinc/19/88/74/307198874.db2.gz KXMQDAHWEVVUBZ-ARFHVFGLSA-N 1 0 317.389 1.332 20 5 DDBDRO [NH2+]=C(NO)[C@H]1CCCCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000376079638 307237697 /nfs/dbraw/zinc/23/76/97/307237697.db2.gz GGYIKWWGQXMOBS-CHWSQXEVSA-N 1 0 308.338 1.439 20 5 DDBDRO CN1CC[NH2+]C[C@@H]1CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000394830334 307295695 /nfs/dbraw/zinc/29/56/95/307295695.db2.gz ZLCFYTJBZFNDSN-SNVBAGLBSA-N 1 0 318.299 1.929 20 5 DDBDRO [NH3+]C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CCCO1 ZINC000424017955 307301106 /nfs/dbraw/zinc/30/11/06/307301106.db2.gz HNTMRGZECVNULX-SNVBAGLBSA-N 1 0 313.741 1.438 20 5 DDBDRO CN1C(=O)CC[C@@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1=O ZINC000563419153 307969743 /nfs/dbraw/zinc/96/97/43/307969743.db2.gz SXAFPUZMEGDBQZ-NWDGAFQWSA-N 1 0 303.318 1.319 20 5 DDBDRO COc1ccc(CC(=O)N(C)C[C@@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000566731965 308062354 /nfs/dbraw/zinc/06/23/54/308062354.db2.gz UQKLHUILXNFELE-ZDUSSCGKSA-N 1 0 321.377 1.699 20 5 DDBDRO Cc1cc(S(=O)(=O)NC[C@H]2CCC[NH2+]2)c(C)cc1[N+](=O)[O-] ZINC000572016885 308208917 /nfs/dbraw/zinc/20/89/17/308208917.db2.gz OSHSPCAZRYGKBG-LLVKDONJSA-N 1 0 313.379 1.242 20 5 DDBDRO CNc1nc(C(=O)NC[C@@H]2CCC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000572358498 308218531 /nfs/dbraw/zinc/21/85/31/308218531.db2.gz DSXVNZXVUZORPD-JTQLQIEISA-N 1 0 307.354 1.103 20 5 DDBDRO CS(=O)(=O)C1(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000576649283 308330068 /nfs/dbraw/zinc/33/00/68/308330068.db2.gz ZSYXQEAKGPRYRG-GFCCVEGCSA-N 1 0 310.375 1.749 20 5 DDBDRO C[C@@H](C(=O)NCCNc1cc[nH+]cc1)c1cccc([N+](=O)[O-])c1 ZINC000576926468 308349650 /nfs/dbraw/zinc/34/96/50/308349650.db2.gz JVRKETQZLHATAJ-GFCCVEGCSA-N 1 0 314.345 1.744 20 5 DDBDRO C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CC[NH2+]1 ZINC000579590074 308543270 /nfs/dbraw/zinc/54/32/70/308543270.db2.gz GVHQTXZDTGWVKK-UWVGGRQHSA-N 1 0 321.333 1.236 20 5 DDBDRO CC(C)[C@@H](CO)C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000579592477 308543609 /nfs/dbraw/zinc/54/36/09/308543609.db2.gz VFZSCJXBGLHRPZ-TZMCWYRMSA-N 1 0 312.366 1.189 20 5 DDBDRO CC[NH+](CC)CCCCNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000195163751 325709340 /nfs/dbraw/zinc/70/93/40/325709340.db2.gz AYEZOHFVKKVYFH-UHFFFAOYSA-N 1 0 309.370 1.623 20 5 DDBDRO O=c1c2cc([N+](=O)[O-])cc(Cl)c2ncn1CC1CC[NH2+]CC1 ZINC000582299615 326007535 /nfs/dbraw/zinc/00/75/35/326007535.db2.gz WNHDRMSVJTUOSB-UHFFFAOYSA-N 1 0 322.752 1.958 20 5 DDBDRO C[C@]1(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)CCC[NH2+]C1 ZINC000584351772 336066979 /nfs/dbraw/zinc/06/69/79/336066979.db2.gz JFGDGSASYORRAB-HNNXBMFYSA-N 1 0 307.350 1.480 20 5 DDBDRO COc1ccc(CC(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000582419607 336971577 /nfs/dbraw/zinc/97/15/77/336971577.db2.gz VBQFOOIIVCDBBY-JQWIXIFHSA-N 1 0 307.350 1.342 20 5 DDBDRO C[NH2+]C[C@H]1CCCN(C(=O)c2cccc(OC)c2[N+](=O)[O-])C1 ZINC000583262348 337293817 /nfs/dbraw/zinc/29/38/17/337293817.db2.gz VNGLNDPSXLAVFQ-LLVKDONJSA-N 1 0 307.350 1.675 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CCCC2(O)CCC2)c1 ZINC000583867482 337361607 /nfs/dbraw/zinc/36/16/07/337361607.db2.gz MRSCIHWHMHTFGQ-AWEZNQCLSA-N 1 0 324.377 1.619 20 5 DDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CCO[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000584649408 337380546 /nfs/dbraw/zinc/38/05/46/337380546.db2.gz INEGSBQGXVAGSR-RYUDHWBXSA-N 1 0 309.370 1.029 20 5 DDBDRO O=C(CC[N@@H+]1CC[C@@]12CCOC2)Nc1ccccc1[N+](=O)[O-] ZINC000421019807 484111086 /nfs/dbraw/zinc/11/10/86/484111086.db2.gz MTVGBCRKWIIISR-HNNXBMFYSA-N 1 0 305.334 1.788 20 5 DDBDRO C[C@H]([NH2+]CC(=O)NC[C@@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000411776166 533821817 /nfs/dbraw/zinc/82/18/17/533821817.db2.gz ZNVFEPIDEWGOAV-FZMZJTMJSA-N 1 0 307.350 1.541 20 5 DDBDRO Cc1c(NC(=O)CC[N@H+]2CC[C@H](C)[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC000305766037 533901026 /nfs/dbraw/zinc/90/10/26/533901026.db2.gz RFDFFFVWCCRSRD-NHYWBVRUSA-N 1 0 321.377 1.935 20 5 DDBDRO C[C@@H](CNS(=O)(=O)CCc1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000451937461 534069890 /nfs/dbraw/zinc/06/98/90/534069890.db2.gz UNSHLGYCUSBWEW-NSHDSACASA-N 1 0 315.395 1.007 20 5 DDBDRO CCCC[C@@H]([NH3+])C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000154584559 521062911 /nfs/dbraw/zinc/06/29/11/521062911.db2.gz RPQBQYRNKOKQCC-DGCLKSJQSA-N 1 0 321.381 1.520 20 5 DDBDRO CCN(C)C(=O)C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000331351481 527726078 /nfs/dbraw/zinc/72/60/78/527726078.db2.gz WLYDIKJFUNJQGN-VXGBXAGGSA-N 1 0 309.370 1.343 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)NCC2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000434193667 527999596 /nfs/dbraw/zinc/99/95/96/527999596.db2.gz LTNNNZGGTUEHOS-UHFFFAOYSA-N 1 0 309.370 1.513 20 5 DDBDRO CCO[C@H]1COCC[C@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444680054 528067396 /nfs/dbraw/zinc/06/73/96/528067396.db2.gz CXSJKOHIEMCUQN-OCCSQVGLSA-N 1 0 320.349 1.755 20 5 DDBDRO CCOC(=O)c1cc(C(=O)NC[C@H]2CCC[NH2+]2)cc([N+](=O)[O-])c1 ZINC000422776433 528149684 /nfs/dbraw/zinc/14/96/84/528149684.db2.gz ANTMJIXEPHCVBT-GFCCVEGCSA-N 1 0 321.333 1.253 20 5 DDBDRO CCOC(=O)c1ccnc(NC(C)(C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000413351152 528272035 /nfs/dbraw/zinc/27/20/35/528272035.db2.gz AMSHKGFZDARXDI-UHFFFAOYSA-N 1 0 310.354 1.919 20 5 DDBDRO CCOc1cc(N2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000302456820 528311438 /nfs/dbraw/zinc/31/14/38/528311438.db2.gz QPDDJNDBRQPHQA-QWHCGFSZSA-N 1 0 323.393 1.885 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NCC2CC[NH2+]CC2)c1 ZINC000457390047 528611022 /nfs/dbraw/zinc/61/10/22/528611022.db2.gz WRIPNWVKUCHHDH-UHFFFAOYSA-N 1 0 307.350 1.723 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000422832006 528692204 /nfs/dbraw/zinc/69/22/04/528692204.db2.gz XHBPNBUILYIJAG-GHMZBOCLSA-N 1 0 307.350 1.816 20 5 DDBDRO CCC[C@@H](O)[C@H](CO)[NH2+]Cc1cc([N+](=O)[O-])ccc1OCC ZINC000419818089 529075665 /nfs/dbraw/zinc/07/56/65/529075665.db2.gz LBKFVUBDRQMUDR-UONOGXRCSA-N 1 0 312.366 1.605 20 5 DDBDRO CC(C)[N@@H+]1CC[C@H](N(C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000452112040 529077216 /nfs/dbraw/zinc/07/72/16/529077216.db2.gz DWAIDMQNVVWOFN-AWEZNQCLSA-N 1 0 320.393 1.608 20 5 DDBDRO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000424039724 529130889 /nfs/dbraw/zinc/13/08/89/529130889.db2.gz KISRJCWSDAKQRN-LBPRGKRZSA-N 1 0 307.354 1.168 20 5 DDBDRO CC[NH+]1CCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000057567493 536296688 /nfs/dbraw/zinc/29/66/88/536296688.db2.gz CSYJFAUVUGWFQM-LBPRGKRZSA-N 1 0 306.366 1.559 20 5 DDBDRO CC(C)[N@@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000735883092 598500229 /nfs/dbraw/zinc/50/02/29/598500229.db2.gz WFBNPWXTFCENPA-SECBINFHSA-N 1 0 318.341 1.065 20 5 DDBDRO CC[C@H](C)[N@H+](C)CCNc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000736328798 598500609 /nfs/dbraw/zinc/50/06/09/598500609.db2.gz YQWQMIRDBOXPPV-VIFPVBQESA-N 1 0 320.357 1.312 20 5 DDBDRO C[C@H]1C[C@@H](Nc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC[N@@H+]1C ZINC000820669007 606711906 /nfs/dbraw/zinc/71/19/06/606711906.db2.gz YKKPZWLSYHOSIN-IUCAKERBSA-N 1 0 318.341 1.065 20 5 DDBDRO CCCCNC(=O)[C@H]1CC[C@@H](C)N(Cn2nccc2[N+](=O)[O-])C1 ZINC000122592642 696723590 /nfs/dbraw/zinc/72/35/90/696723590.db2.gz QXUHNIGBYNJVIV-OLZOCXBDSA-N 1 0 323.397 1.766 20 5 DDBDRO C[N@@H+]1CCCN(C(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)CC1 ZINC000050693344 696234066 /nfs/dbraw/zinc/23/40/66/696234066.db2.gz NLPLIKGYQVTFAC-UHFFFAOYSA-N 1 0 312.757 1.608 20 5 DDBDRO C[C@@H](C(=O)OCCn1cc([N+](=O)[O-])cn1)[NH+]1[C@H](C)CC[C@H]1C ZINC000748128317 700101337 /nfs/dbraw/zinc/10/13/37/700101337.db2.gz DDXBBURXMYFOCY-UTUOFQBUSA-N 1 0 310.354 1.596 20 5 DDBDRO COc1cc(C[NH2+]C[C@](C)(O)c2ccco2)c([N+](=O)[O-])cc1O ZINC000174529559 697389749 /nfs/dbraw/zinc/38/97/49/697389749.db2.gz KDCRGVDVWHWIBT-HNNXBMFYSA-N 1 0 322.317 1.899 20 5 DDBDRO CCCc1n[nH]c(C(=O)NCC[N@@H+]2CCC[C@H]2C)c1[N+](=O)[O-] ZINC000773196440 697726427 /nfs/dbraw/zinc/72/64/27/697726427.db2.gz FFSIYVXBEIUUTA-SNVBAGLBSA-N 1 0 309.370 1.485 20 5 DDBDRO C[C@H]1CCC[N@@H+]1CCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000773199221 697727086 /nfs/dbraw/zinc/72/70/86/697727086.db2.gz QCFBCOJYYVXKSC-JTQLQIEISA-N 1 0 322.321 1.717 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@H](O)c2ccccc2)c1 ZINC000749644399 700174978 /nfs/dbraw/zinc/17/49/78/700174978.db2.gz FFWKWUOOPIWNJF-HOTGVXAUSA-N 1 0 302.330 1.951 20 5 DDBDRO Cc1cc(C(=O)NOC2CC[NH+](C)CC2)c(N)c([N+](=O)[O-])c1 ZINC000774292556 697864437 /nfs/dbraw/zinc/86/44/37/697864437.db2.gz VFCSQEHSBKEOPY-UHFFFAOYSA-N 1 0 308.338 1.241 20 5 DDBDRO COCC1(O)CC[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776594168 698124785 /nfs/dbraw/zinc/12/47/85/698124785.db2.gz XSYWWGPJOSJZPE-AWEZNQCLSA-N 1 0 310.350 1.102 20 5 DDBDRO CC1(C)CN(Cc2cc(F)ccc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000781961532 698666238 /nfs/dbraw/zinc/66/62/38/698666238.db2.gz URGTYJRRJVTGBP-UHFFFAOYSA-N 1 0 311.357 1.622 20 5 DDBDRO CO[C@@H]1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000782507895 698733170 /nfs/dbraw/zinc/73/31/70/698733170.db2.gz WHUIJTWJYRNJQD-LLVKDONJSA-N 1 0 311.313 1.783 20 5 DDBDRO COc1cccc(C(=O)N2CCC3(C2)CC[NH2+]CC3)c1[N+](=O)[O-] ZINC000423501287 699144954 /nfs/dbraw/zinc/14/49/54/699144954.db2.gz JHIXJPODAWYZPO-UHFFFAOYSA-N 1 0 319.361 1.819 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C3CCC3)CC2)c2nonc21 ZINC000733302442 699587876 /nfs/dbraw/zinc/58/78/76/699587876.db2.gz UWHATWMKKOTVPY-UHFFFAOYSA-N 1 0 303.322 1.806 20 5 DDBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000735923204 699711185 /nfs/dbraw/zinc/71/11/85/699711185.db2.gz DDBUKESDZHULRT-LBPRGKRZSA-N 1 0 306.366 1.781 20 5 DDBDRO O=[N+]([O-])c1c(N2CC[NH+](CCCCO)CC2)nc2ccccn21 ZINC000741750728 699850517 /nfs/dbraw/zinc/85/05/17/699850517.db2.gz ZLNAUOAZNPOCGB-UHFFFAOYSA-N 1 0 319.365 1.137 20 5 DDBDRO CC(C)[C@@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1nncn1C ZINC000796185098 699918229 /nfs/dbraw/zinc/91/82/29/699918229.db2.gz GCXOJIQGVOAQGQ-ZIAGYGMSSA-N 1 0 319.365 1.744 20 5 DDBDRO CC[NH+](CC)C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000801897052 700351226 /nfs/dbraw/zinc/35/12/26/700351226.db2.gz CXSRUFVTRIYPAZ-SECBINFHSA-N 1 0 312.345 1.776 20 5 DDBDRO COc1ccc(NC(=O)CN2CC[N@H+](C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000761068763 700838267 /nfs/dbraw/zinc/83/82/67/700838267.db2.gz JKEYCIQWFNGFHZ-NSHDSACASA-N 1 0 322.365 1.178 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](CO)C1CC1 ZINC000763089677 700925152 /nfs/dbraw/zinc/92/51/52/700925152.db2.gz ZUXFGJQIIDFJAM-AWEZNQCLSA-N 1 0 307.350 1.592 20 5 DDBDRO C[C@H]1C[C@@H](NS(=O)(=O)c2csc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000768843151 701208799 /nfs/dbraw/zinc/20/87/99/701208799.db2.gz RIAPOFMRZYXWAD-IUCAKERBSA-N 1 0 319.408 1.417 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@H](CCO)c2ccco2)cc1 ZINC000769223234 701237224 /nfs/dbraw/zinc/23/72/24/701237224.db2.gz SOJPSENLYUKFRH-KGLIPLIRSA-N 1 0 306.318 1.935 20 5 DDBDRO CC[NH+](CC)CCS(=O)(=O)Oc1cccnc1[N+](=O)[O-] ZINC000810032744 701714155 /nfs/dbraw/zinc/71/41/55/701714155.db2.gz HTPNNAFBYIICCP-UHFFFAOYSA-N 1 0 303.340 1.040 20 5 DDBDRO COc1cccc(C(=O)N[C@H](C)C2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC000868006236 701887614 /nfs/dbraw/zinc/88/76/14/701887614.db2.gz LKQWOMHYUINYIS-SNVBAGLBSA-N 1 0 307.350 1.721 20 5 DDBDRO C[C@H]([NH2+]CCN1CCO[C@@H](C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815575904 701898050 /nfs/dbraw/zinc/89/80/50/701898050.db2.gz DVCNVURCEVATPI-RYUDHWBXSA-N 1 0 308.382 1.548 20 5 DDBDRO C[C@@H]([NH2+]Cc1ccc(C(N)=O)nc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815587824 701900127 /nfs/dbraw/zinc/90/01/27/701900127.db2.gz UVRIXOSOVYFFLA-SECBINFHSA-N 1 0 315.333 1.522 20 5 DDBDRO CO[C@@H]1C[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@](C)(CO)C1 ZINC000879261388 706633036 /nfs/dbraw/zinc/63/30/36/706633036.db2.gz JMGVNWZFIXPNRL-ZNMIVQPWSA-N 1 0 310.350 1.100 20 5 DDBDRO C[N@@H+]1CC[C@]2(CCN(C(=O)Cc3cccc(F)c3[N+](=O)[O-])C2)C1 ZINC000868535303 702183244 /nfs/dbraw/zinc/18/32/44/702183244.db2.gz REFVXADOGIATRI-INIZCTEOSA-N 1 0 321.352 1.831 20 5 DDBDRO Cc1cc(C(=O)N2CC[C@@H]([NH+](C)C)[C@H]2C)c(N)c([N+](=O)[O-])c1 ZINC000816768408 702187944 /nfs/dbraw/zinc/18/79/44/702187944.db2.gz VIEMTDOJBBTODY-ZYHUDNBSSA-N 1 0 306.366 1.650 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)n1 ZINC000866209057 706649113 /nfs/dbraw/zinc/64/91/13/706649113.db2.gz PBMVOPDXBBHGPZ-PWSUYJOCSA-N 1 0 320.349 1.307 20 5 DDBDRO C[N@@H+]1C[C@@H]2CCN(C(=O)/C=C\c3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000816954085 702237196 /nfs/dbraw/zinc/23/71/96/702237196.db2.gz STGALXSLNNAYNT-NBVGUUKWSA-N 1 0 301.346 1.771 20 5 DDBDRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)Cc3cccc(F)c3[N+](=O)[O-])C[C@H]21 ZINC000868732484 702291699 /nfs/dbraw/zinc/29/16/99/702291699.db2.gz QILFOTPRDHYTSQ-HBYGRHMLSA-N 1 0 307.325 1.295 20 5 DDBDRO [NH3+]C[C@H]1CN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CCO1 ZINC000841011184 702309016 /nfs/dbraw/zinc/30/90/16/702309016.db2.gz MAMSIGCNOBROSJ-VIFPVBQESA-N 1 0 314.729 1.440 20 5 DDBDRO C[NH2+][C@H](C)Cc1noc(-c2cc([N+](=O)[O-])ccc2N(C)C)n1 ZINC000842626132 702745099 /nfs/dbraw/zinc/74/50/99/702745099.db2.gz UKKBNEOWFSAETL-SECBINFHSA-N 1 0 305.338 1.861 20 5 DDBDRO C[C@H](CC[NH3+])NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000842789574 702773971 /nfs/dbraw/zinc/77/39/71/702773971.db2.gz AGKKJICTJZHYRG-SSDOTTSWSA-N 1 0 307.759 1.264 20 5 DDBDRO [NH3+][C@H]1C[C@H](NS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000842800345 702776151 /nfs/dbraw/zinc/77/61/51/702776151.db2.gz UERPDKQIFCJNHY-ZKCHVHJHSA-N 1 0 305.743 1.016 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@H]2C[C@@H]([NH3+])C2)c1 ZINC000842802102 702776413 /nfs/dbraw/zinc/77/64/13/702776413.db2.gz WTTYIVTUHGLVDU-OCAPTIKFSA-N 1 0 319.770 1.325 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@H](CO)Cc2ccncc2)c1 ZINC000843110876 702820888 /nfs/dbraw/zinc/82/08/88/702820888.db2.gz OTAHYSSODHHPJC-HOCLYGCPSA-N 1 0 317.345 1.216 20 5 DDBDRO [NH3+]Cc1ccc2c(c1)CCCN2C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000843341045 702862882 /nfs/dbraw/zinc/86/28/82/702862882.db2.gz YOFMARSDWQKQJC-UHFFFAOYSA-N 1 0 300.318 1.975 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N[C@@](C)(C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000843344166 702863157 /nfs/dbraw/zinc/86/31/57/702863157.db2.gz RKDWLMFLWROGNK-AWEZNQCLSA-N 1 0 322.321 1.669 20 5 DDBDRO C[NH2+]C[C@H]1CCCN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000843352623 702864588 /nfs/dbraw/zinc/86/45/88/702864588.db2.gz IXJVUIXORUDJQB-GFCCVEGCSA-N 1 0 324.356 1.746 20 5 DDBDRO COC(=O)c1cc(NC(=O)C[C@H]([NH3+])C2CC2)cc([N+](=O)[O-])c1 ZINC000843384851 702870922 /nfs/dbraw/zinc/87/09/22/702870922.db2.gz CPPDNWXJAKEFQC-LBPRGKRZSA-N 1 0 307.306 1.447 20 5 DDBDRO Cc1cc(-c2noc([C@H](N)CC[NH+](C)C)n2)cc([N+](=O)[O-])c1 ZINC000844918761 703085185 /nfs/dbraw/zinc/08/51/85/703085185.db2.gz CYESHYDWQQSFQM-GFCCVEGCSA-N 1 0 305.338 1.905 20 5 DDBDRO Cc1cc(C(=O)N2CC[NH2+][C@@H](C(C)C)C2)c(N)c([N+](=O)[O-])c1 ZINC000831593211 706735588 /nfs/dbraw/zinc/73/55/88/706735588.db2.gz JDBFVVUFNILXCK-GFCCVEGCSA-N 1 0 306.366 1.555 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CC[C@@H]([NH3+])C[C@@H]2C)cc1[N+](=O)[O-] ZINC000846744186 703326222 /nfs/dbraw/zinc/32/62/22/703326222.db2.gz XVQOIARMYQWUBB-GZMMTYOYSA-N 1 0 322.321 1.763 20 5 DDBDRO CCN1C[C@H](C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)OC1=O ZINC000846893002 703347781 /nfs/dbraw/zinc/34/77/81/703347781.db2.gz DWEOHQXITBRUEZ-AWEZNQCLSA-N 1 0 307.350 1.910 20 5 DDBDRO CCN1C[C@H](C[N@H+](C)CCc2ccccc2[N+](=O)[O-])OC1=O ZINC000846901845 703349271 /nfs/dbraw/zinc/34/92/71/703349271.db2.gz QGCQXFQUDUPCOX-ZDUSSCGKSA-N 1 0 307.350 1.910 20 5 DDBDRO O=[N+]([O-])c1ccc(CN2CC[N@@H+]3C[C@H](O)C[C@H]3C2)cc1Cl ZINC000848925736 703604336 /nfs/dbraw/zinc/60/43/36/703604336.db2.gz FMQDGOQGAQRCRV-NWDGAFQWSA-N 1 0 311.769 1.499 20 5 DDBDRO COC(CC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)OC ZINC000851843886 703868904 /nfs/dbraw/zinc/86/89/04/703868904.db2.gz NYBWTXAJJLYTEE-LLVKDONJSA-N 1 0 310.354 1.485 20 5 DDBDRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000818579980 703929506 /nfs/dbraw/zinc/92/95/06/703929506.db2.gz YHUFNLIJKQKPPS-MFKMUULPSA-N 1 0 317.349 1.059 20 5 DDBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1ccnc(C[NH3+])c1)CC2 ZINC000818609113 703939894 /nfs/dbraw/zinc/93/98/94/703939894.db2.gz QGOPQYCMFSCHNO-UHFFFAOYSA-N 1 0 312.329 1.960 20 5 DDBDRO CCO[C@H](CNC(=O)c1ccc(C)c([N+](=O)[O-])c1)C[NH+](C)C ZINC000831776065 706777015 /nfs/dbraw/zinc/77/70/15/706777015.db2.gz DOZLBZAGDQWCNC-CYBMUJFWSA-N 1 0 309.366 1.600 20 5 DDBDRO CC(C)(C)C(=O)NCC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000818989902 704044547 /nfs/dbraw/zinc/04/45/47/704044547.db2.gz QYHSTLKVGXKHTB-ZDUSSCGKSA-N 1 0 309.366 1.380 20 5 DDBDRO CC1(C)COCCN1CC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819014637 704051672 /nfs/dbraw/zinc/05/16/72/704051672.db2.gz SDZIVVMVVNWRQL-OAHLLOKOSA-N 1 0 323.393 1.329 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]Cc2cccc(CO)c2)c1 ZINC000819148281 704076368 /nfs/dbraw/zinc/07/63/68/704076368.db2.gz RXOKVRPWFLEUIH-MRXNPFEDSA-N 1 0 302.330 1.910 20 5 DDBDRO CCN(CCC[NH+](C)C)c1ccc([N+](=O)[O-])cc1C(=O)NC ZINC000819931131 704187862 /nfs/dbraw/zinc/18/78/62/704187862.db2.gz JJGZPZVABORVRL-UHFFFAOYSA-N 1 0 308.382 1.732 20 5 DDBDRO Cc1nn(C[N@@H+]2CC[C@@H]3COC[C@H]3C2)c2ncc([N+](=O)[O-])cc12 ZINC000853587166 704276841 /nfs/dbraw/zinc/27/68/41/704276841.db2.gz FZHUKHOJHPWXHH-VXGBXAGGSA-N 1 0 317.349 1.574 20 5 DDBDRO C[NH+](C)CC1CN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1 ZINC000853651823 704293388 /nfs/dbraw/zinc/29/33/88/704293388.db2.gz QHMZZFOWIGZFBM-UHFFFAOYSA-N 1 0 304.350 1.477 20 5 DDBDRO C[N@@H+]1CC[C@@H](CC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)C1 ZINC000821339811 704393444 /nfs/dbraw/zinc/39/34/44/704393444.db2.gz IPBPFKCGURAISS-LBPRGKRZSA-N 1 0 303.362 1.821 20 5 DDBDRO CC[N@H+](C)C[C@@H](O)CN(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000821391163 704402819 /nfs/dbraw/zinc/40/28/19/704402819.db2.gz IMSRUJKUYJIPJF-CYBMUJFWSA-N 1 0 315.801 1.993 20 5 DDBDRO O=C(N[C@H]1CCC[NH2+]C1)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857762743 704621613 /nfs/dbraw/zinc/62/16/13/704621613.db2.gz AKKWWEBDTMMKRI-VIFPVBQESA-N 1 0 315.276 1.435 20 5 DDBDRO CCn1ncc(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)n1 ZINC000858444786 704711961 /nfs/dbraw/zinc/71/19/61/704711961.db2.gz RDYKDIZRJVWWFE-STQMWFEESA-N 1 0 319.369 1.676 20 5 DDBDRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000867526714 707028897 /nfs/dbraw/zinc/02/88/97/707028897.db2.gz VPTHGLAOWCOMPW-CHWSQXEVSA-N 1 0 309.341 1.875 20 5 DDBDRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000874828747 705187204 /nfs/dbraw/zinc/18/72/04/705187204.db2.gz HTYIKJFPUPURPI-CHWSQXEVSA-N 1 0 322.340 1.625 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3C)c1 ZINC000874845997 705200671 /nfs/dbraw/zinc/20/06/71/705200671.db2.gz XBZSUSUIASOXQE-GJZGRUSLSA-N 1 0 319.361 1.912 20 5 DDBDRO C[C@@H](NC(=O)Nc1ccc(N)c([N+](=O)[O-])c1)C1=CC[N@H+](C)CC1 ZINC000823968692 705347074 /nfs/dbraw/zinc/34/70/74/705347074.db2.gz YILNUUOTXZECBL-SNVBAGLBSA-N 1 0 319.365 1.949 20 5 DDBDRO CC(C)C[NH+]1CCN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000823970883 705347606 /nfs/dbraw/zinc/34/76/06/705347606.db2.gz HDUREEICAYQBHW-HNNXBMFYSA-N 1 0 321.377 1.428 20 5 DDBDRO Nc1ccc(NC(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)cc1[N+](=O)[O-] ZINC000823994246 705350767 /nfs/dbraw/zinc/35/07/67/705350767.db2.gz ORGMDZKJXOJPSI-GFCCVEGCSA-N 1 0 319.365 1.783 20 5 DDBDRO C[C@@H]1CCC[N@@H+]1CCNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000893877129 710870636 /nfs/dbraw/zinc/87/06/36/710870636.db2.gz UNAMCPZWJXPKNV-CYBMUJFWSA-N 1 0 320.393 1.921 20 5 DDBDRO Cc1c(C(=O)N[C@@H]2CC[NH2+]C2(C)C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000825249653 705633484 /nfs/dbraw/zinc/63/34/84/705633484.db2.gz MBSYXZBWGWLQMN-GFCCVEGCSA-N 1 0 322.321 1.682 20 5 DDBDRO CC(C)(CCC(=O)N1CCC([NH+]2CCOCC2)CC1)[N+](=O)[O-] ZINC000862214113 705679407 /nfs/dbraw/zinc/67/94/07/705679407.db2.gz GHCPPOKFHDRIOI-UHFFFAOYSA-N 1 0 313.398 1.145 20 5 DDBDRO O=C(/C=C\[C@@H]1CCC[NH2+]C1)NCCc1ccccc1[N+](=O)[O-] ZINC000876681664 705817109 /nfs/dbraw/zinc/81/71/09/705817109.db2.gz XEBXJSNCTGTHNM-WSROAFLRSA-N 1 0 303.362 1.809 20 5 DDBDRO C[NH2+]CCOCCNC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000877023807 705962943 /nfs/dbraw/zinc/96/29/43/705962943.db2.gz GCMNKISDRBWHIL-UHFFFAOYSA-N 1 0 317.345 1.714 20 5 DDBDRO C[C@H]([NH3+])CN(C)C(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000877099320 705983071 /nfs/dbraw/zinc/98/30/71/705983071.db2.gz KENVHAPGGLFJFT-IUCAKERBSA-N 1 0 315.757 1.821 20 5 DDBDRO COC(=O)[C@@H]1OCC[C@@H]1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000877725492 706190759 /nfs/dbraw/zinc/19/07/59/706190759.db2.gz DBYLDVUILZUGDZ-TZMCWYRMSA-N 1 0 308.334 1.305 20 5 DDBDRO CONC(=O)C1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000877786215 706211415 /nfs/dbraw/zinc/21/14/15/706211415.db2.gz ZNSHMOUDOUWWGQ-UHFFFAOYSA-N 1 0 307.350 1.527 20 5 DDBDRO Cn1cc(C[NH2+][C@H]2CCc3ccccc3OC2)c([N+](=O)[O-])n1 ZINC000878563660 706428933 /nfs/dbraw/zinc/42/89/33/706428933.db2.gz XUWVVIRUDZTNFG-ZDUSSCGKSA-N 1 0 302.334 1.812 20 5 DDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)s1 ZINC000866828340 706817221 /nfs/dbraw/zinc/81/72/21/706817221.db2.gz WESPMYYDWYDSMO-DTWKUNHWSA-N 1 0 317.392 1.171 20 5 DDBDRO Cc1c(C(=O)N[C@H](C)CC[NH3+])cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000834452766 707057517 /nfs/dbraw/zinc/05/75/17/707057517.db2.gz LQIPVZOVKPNOJT-SSDOTTSWSA-N 1 0 310.310 1.587 20 5 DDBDRO C[C@@H]1C[C@H](NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CC[NH2+]1 ZINC000834682803 707102205 /nfs/dbraw/zinc/10/22/05/707102205.db2.gz XQNKSPLTBDRRCN-ZYHUDNBSSA-N 1 0 317.349 1.201 20 5 DDBDRO O=C(N[C@H]1C[NH2+]CCC1(F)F)c1cccc(Cl)c1[N+](=O)[O-] ZINC000834846413 707136933 /nfs/dbraw/zinc/13/69/33/707136933.db2.gz VPNPNHHNXBICOB-VIFPVBQESA-N 1 0 319.695 1.975 20 5 DDBDRO Cc1ccc(Cn2cc(C[C@H]3CC[NH2+]C3)nn2)cc1[N+](=O)[O-] ZINC000881212143 707155006 /nfs/dbraw/zinc/15/50/06/707155006.db2.gz NJEXQVIUZKPZDO-GFCCVEGCSA-N 1 0 301.350 1.695 20 5 DDBDRO C[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@]12C[C@@H]1CCCC2 ZINC000872220533 707335444 /nfs/dbraw/zinc/33/54/44/707335444.db2.gz KHPBJZKSXVVAFI-NZBPQXDJSA-N 1 0 308.382 1.711 20 5 DDBDRO Cn1nnc2c1C[C@@H]([NH2+][C@@H]1CCc3c1cccc3[N+](=O)[O-])CC2 ZINC000927140089 712946550 /nfs/dbraw/zinc/94/65/50/712946550.db2.gz CHBLYBQIPJUPQJ-GXFFZTMASA-N 1 0 313.361 1.858 20 5 DDBDRO CC[C@@H](C)[NH+]1CCN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000837006305 707563312 /nfs/dbraw/zinc/56/33/12/707563312.db2.gz DCSRDGNOUXDCDR-IUODEOHRSA-N 1 0 321.377 1.571 20 5 DDBDRO CC[C@@H]1COCCN1CCNc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000872772270 707593538 /nfs/dbraw/zinc/59/35/38/707593538.db2.gz SABRUXSAYONFRD-LLVKDONJSA-N 1 0 320.353 1.160 20 5 DDBDRO COCCO[C@@H]1COCC[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000873109517 707734055 /nfs/dbraw/zinc/73/40/55/707734055.db2.gz VPKLWDDCLYOHNK-GOEBONIOSA-N 1 0 324.377 1.813 20 5 DDBDRO Cc1c(C[NH2+][C@H]2CCCN(CCCO)C2)cccc1[N+](=O)[O-] ZINC000873129308 707742542 /nfs/dbraw/zinc/74/25/42/707742542.db2.gz MEGMNSAYHYBULY-HNNXBMFYSA-N 1 0 307.394 1.840 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CCOC(=O)[C@H](C)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000873360994 707824603 /nfs/dbraw/zinc/82/46/03/707824603.db2.gz QOXJUIKWSRMXKM-SRVKXCTJSA-N 1 0 324.381 1.904 20 5 DDBDRO CC[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CC3[N+](=O)[O-])cc2)CC1 ZINC000839477050 708050606 /nfs/dbraw/zinc/05/06/06/708050606.db2.gz COVZBGDKJMVDQB-HUUCEWRRSA-N 1 0 318.377 1.432 20 5 DDBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]C[C@H]3C[C@@H]4COC[C@@H]4O3)nc2c1 ZINC000896859867 708166920 /nfs/dbraw/zinc/16/69/20/708166920.db2.gz VLKRSWPSQNHUAV-UDZFHETQSA-N 1 0 319.317 1.630 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](CC[NH3+])C(F)F)c1C ZINC000884296593 708231221 /nfs/dbraw/zinc/23/12/21/708231221.db2.gz BANMMKYGHIUDEK-VIFPVBQESA-N 1 0 301.293 1.924 20 5 DDBDRO O=[N+]([O-])c1cccnc1N1CC[NH+](C[C@@H]2C[C@@]23CCOC3)CC1 ZINC000886239281 708721975 /nfs/dbraw/zinc/72/19/75/708721975.db2.gz SWRKTWJWYWZMHB-XJKSGUPXSA-N 1 0 318.377 1.538 20 5 DDBDRO Cc1c(NC(=O)c2ccnn2CC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000899936085 709242948 /nfs/dbraw/zinc/24/29/48/709242948.db2.gz PVRDJGLMNPBAKU-UHFFFAOYSA-N 1 0 317.349 1.914 20 5 DDBDRO C[C@@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000912813477 713098752 /nfs/dbraw/zinc/09/87/52/713098752.db2.gz KOQGYJVXSIIJNE-STQMWFEESA-N 1 0 323.397 1.370 20 5 DDBDRO O=C(c1ccccc1[N+](=O)[O-])N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000889783129 709634073 /nfs/dbraw/zinc/63/40/73/709634073.db2.gz VLWISJJKFTVIRV-LSDHHAIUSA-N 1 0 319.361 1.266 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912925622 713126730 /nfs/dbraw/zinc/12/67/30/713126730.db2.gz NWIAIZPFRPZEKG-CYBMUJFWSA-N 1 0 305.334 1.280 20 5 DDBDRO Cc1ccc([C@H](C)NC(=O)[C@@]2(C)C[C@H](O)C[N@@H+]2C)cc1[N+](=O)[O-] ZINC000900968694 709854560 /nfs/dbraw/zinc/85/45/60/709854560.db2.gz WRMDPUMODKBGAS-DETPVDSQSA-N 1 0 321.377 1.536 20 5 DDBDRO CN(CC(C)(C)C[NH+](C)C)C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000890881970 710020140 /nfs/dbraw/zinc/02/01/40/710020140.db2.gz DQGPYCRMDQYHBP-UHFFFAOYSA-N 1 0 308.382 1.837 20 5 DDBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000891722326 710275711 /nfs/dbraw/zinc/27/57/11/710275711.db2.gz BZYUKMWPRFKYEE-HOCLYGCPSA-N 1 0 318.377 1.721 20 5 DDBDRO Cc1ccc(CNC(=O)NC[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000891978582 710344733 /nfs/dbraw/zinc/34/47/33/710344733.db2.gz DJHJAMSTBJHNJV-ZDUSSCGKSA-N 1 0 306.366 1.702 20 5 DDBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000892936688 710528254 /nfs/dbraw/zinc/52/82/54/710528254.db2.gz KTHDLWUHOGUACG-DGCLKSJQSA-N 1 0 312.391 1.550 20 5 DDBDRO COC(=O)c1ccc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)cc1C ZINC000893134867 710560009 /nfs/dbraw/zinc/56/00/09/710560009.db2.gz MXKDBXYDLYLEPC-UHFFFAOYSA-N 1 0 318.333 1.676 20 5 DDBDRO CN(C(=O)NCCc1ccccc1[N+](=O)[O-])[C@H]1CCC[N@H+](C)C1 ZINC000893264673 710582459 /nfs/dbraw/zinc/58/24/59/710582459.db2.gz GOSGQAVRVOXNNL-AWEZNQCLSA-N 1 0 320.393 1.873 20 5 DDBDRO C[C@@H]1CN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000911822538 711014460 /nfs/dbraw/zinc/01/44/60/711014460.db2.gz WQKJTILXCFPHDY-ZWNOBZJWSA-N 1 0 309.341 1.862 20 5 DDBDRO COc1cc([C@@H](C)[NH2+][C@H]2CCCN(C)C2=O)cc([N+](=O)[O-])c1 ZINC000903104665 711032650 /nfs/dbraw/zinc/03/26/50/711032650.db2.gz KUEWPWZBTDBBSP-YGRLFVJLSA-N 1 0 307.350 1.875 20 5 DDBDRO COc1cc([C@H](C)[NH2+]C[C@@H](O)[C@H]2CCCO2)cc([N+](=O)[O-])c1 ZINC000903206243 711064095 /nfs/dbraw/zinc/06/40/95/711064095.db2.gz PVTFKWKFYWEOQV-COLVAYQJSA-N 1 0 310.350 1.794 20 5 DDBDRO CC[C@H]([NH2+]C[C@]1(CO)COCCN1C)c1cccc([N+](=O)[O-])c1 ZINC000903277673 711084837 /nfs/dbraw/zinc/08/48/37/711084837.db2.gz BVFPSFZSRCQAMQ-HOTGVXAUSA-N 1 0 323.393 1.329 20 5 DDBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCN(C)[C@@H]1C ZINC000903302540 711094542 /nfs/dbraw/zinc/09/45/42/711094542.db2.gz CSCKRBILQNFLFH-JMSVASOKSA-N 1 0 320.393 1.994 20 5 DDBDRO Cn1nnnc1CCC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000903348653 711100035 /nfs/dbraw/zinc/10/00/35/711100035.db2.gz HYNODTFXKCMCIY-AWEZNQCLSA-N 1 0 316.365 1.718 20 5 DDBDRO Cc1c([C@H](C)[NH2+]CCCc2nnnn2C)cccc1[N+](=O)[O-] ZINC000903349301 711100355 /nfs/dbraw/zinc/10/03/55/711100355.db2.gz SUJCHVPHOWAGRB-NSHDSACASA-N 1 0 304.354 1.710 20 5 DDBDRO C[NH2+]C[C@@H]1CCCCN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000903529525 711172214 /nfs/dbraw/zinc/17/22/14/711172214.db2.gz HHVIEAPJJLDYPI-HNNXBMFYSA-N 1 0 320.393 1.632 20 5 DDBDRO CC1(C)CN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@@H]1[NH3+] ZINC000903553438 711189832 /nfs/dbraw/zinc/18/98/32/711189832.db2.gz UNYCQSLKHINZEE-AWEZNQCLSA-N 1 0 318.377 1.153 20 5 DDBDRO COc1cc([N+](=O)[O-])cnc1N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000894646291 711227979 /nfs/dbraw/zinc/22/79/79/711227979.db2.gz VOSQONOFKBJRHD-CYBMUJFWSA-N 1 0 324.381 1.545 20 5 DDBDRO C[NH+](C)C[C@]1(O)CCN(c2ncc([N+](=O)[O-])c3ccccc32)C1 ZINC000895010874 711366037 /nfs/dbraw/zinc/36/60/37/711366037.db2.gz XCOFYQIAFOJVQW-MRXNPFEDSA-N 1 0 316.361 1.646 20 5 DDBDRO CCC[C@H]1CN(c2nccc(C(=O)OC)c2[N+](=O)[O-])CC[NH2+]1 ZINC000895059686 711391386 /nfs/dbraw/zinc/39/13/86/711391386.db2.gz VTPSELASWPEEAW-JTQLQIEISA-N 1 0 308.338 1.355 20 5 DDBDRO COC(=O)[C@]1(O)CC[N@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000895701614 711581817 /nfs/dbraw/zinc/58/18/17/711581817.db2.gz AYAUYZQTIRRUQW-HNNXBMFYSA-N 1 0 308.334 1.321 20 5 DDBDRO COc1c(O)ccc(CN2CC[C@H]3[C@H](CC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000895844012 711623279 /nfs/dbraw/zinc/62/32/79/711623279.db2.gz QUPOVPYPHJETEN-YPMHNXCESA-N 1 0 321.377 1.835 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1N[C@@H](CC[NH+](C)C)c1cccnc1 ZINC000895891643 711639344 /nfs/dbraw/zinc/63/93/44/711639344.db2.gz KTUGUFFQTKIEFW-LBPRGKRZSA-N 1 0 304.354 1.828 20 5 DDBDRO Cc1ccc(CNC(=O)N2CC[C@H]3C[N@@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000896219942 711693534 /nfs/dbraw/zinc/69/35/34/711693534.db2.gz JMEWOKOFZXWPCK-ZFWWWQNUSA-N 1 0 318.377 1.749 20 5 DDBDRO CC1(C)O[C@@H]2C[C@@H]([NH2+]C[C@@H](O)c3ccc([N+](=O)[O-])cc3)C[C@@H]2O1 ZINC000905609170 712093694 /nfs/dbraw/zinc/09/36/94/712093694.db2.gz PBBWJVOWVOFSQZ-NGFQHRJXSA-N 1 0 322.361 1.900 20 5 DDBDRO C[C@@H](C[NH2+]C[C@H](C)S(C)(=O)=O)c1ccccc1[N+](=O)[O-] ZINC000905645452 712105490 /nfs/dbraw/zinc/10/54/90/712105490.db2.gz YLTNVURCMPBYSS-QWRGUYRKSA-N 1 0 300.380 1.721 20 5 DDBDRO O=[N+]([O-])c1ccc2c(cnn2C[N@@H+]2CC[C@@H](C3OCCO3)C2)c1 ZINC000905696097 712121747 /nfs/dbraw/zinc/12/17/47/712121747.db2.gz SYZMCVHPUZKARB-LLVKDONJSA-N 1 0 318.333 1.597 20 5 DDBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCN(C)C1 ZINC000906525208 712346768 /nfs/dbraw/zinc/34/67/68/712346768.db2.gz KYYLDKMQAIURTE-DGCLKSJQSA-N 1 0 306.366 1.606 20 5 DDBDRO C[C@@H]1CCN(C(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C[C@@H]1[NH3+] ZINC000906635753 712375410 /nfs/dbraw/zinc/37/54/10/712375410.db2.gz NQJCGCNQDVOLFN-KJEVXHAQSA-N 1 0 303.362 1.894 20 5 DDBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](CCO[C@@H]3CCOC3)C2)nc1 ZINC000929988916 713730007 /nfs/dbraw/zinc/73/00/07/713730007.db2.gz OOYWMASFHLUNNZ-TZMCWYRMSA-N 1 0 322.365 1.282 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000930190011 713775273 /nfs/dbraw/zinc/77/52/73/713775273.db2.gz MBJLVPPBXDQZAI-LLVKDONJSA-N 1 0 309.370 1.090 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000930190012 713775280 /nfs/dbraw/zinc/77/52/80/713775280.db2.gz MBJLVPPBXDQZAI-NSHDSACASA-N 1 0 309.370 1.090 20 5 DDBDRO C[NH+]1CCC(OCC(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000930492802 713848432 /nfs/dbraw/zinc/84/84/32/713848432.db2.gz IMYONYNPCWJGOM-UHFFFAOYSA-N 1 0 321.377 1.364 20 5 DDBDRO CC[N@H+](C)Cc1cc(O[C@@H]2CCN(CC[N+](=O)[O-])C2)ccn1 ZINC000931095198 714000374 /nfs/dbraw/zinc/00/03/74/714000374.db2.gz WYCXBPYDMUSYFA-OAHLLOKOSA-N 1 0 308.382 1.263 20 5 DDBDRO CC[C@@H](CN1CCOCC1)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000922589036 714094702 /nfs/dbraw/zinc/09/47/02/714094702.db2.gz GBIOCKIYWGUVNM-AWEZNQCLSA-N 1 0 323.393 1.804 20 5 DDBDRO CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2CC[N+](=O)[O-])C1 ZINC000931564208 714129236 /nfs/dbraw/zinc/12/92/36/714129236.db2.gz VINJQZMPGZQNOI-CHWSQXEVSA-N 1 0 313.398 1.985 20 5 DDBDRO CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2CC[N+](=O)[O-])C1 ZINC000931564211 714129326 /nfs/dbraw/zinc/12/93/26/714129326.db2.gz VINJQZMPGZQNOI-STQMWFEESA-N 1 0 313.398 1.985 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CC[C@H](C3OCCO3)C2)cc1 ZINC000932003464 714230774 /nfs/dbraw/zinc/23/07/74/714230774.db2.gz PWASTLKWPCSLRX-JSGCOSHPSA-N 1 0 308.334 1.323 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N(CC[NH+](C)C)CC(C)C ZINC000932032694 714242306 /nfs/dbraw/zinc/24/23/06/714242306.db2.gz VCEJSDJIHWLQBE-UHFFFAOYSA-N 1 0 311.386 1.146 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)CN(C2CC2)[C@H]2CC[NH2+]C2)c1 ZINC000923330208 714317225 /nfs/dbraw/zinc/31/72/25/714317225.db2.gz ZSULGVGORVRFMF-GJZGRUSLSA-N 1 0 321.377 1.161 20 5 DDBDRO C[C@@H]1C[NH2+]C[C@H](C)N1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000923332490 714317979 /nfs/dbraw/zinc/31/79/79/714317979.db2.gz KAYMNVZZFDTKMQ-XQQFMLRXSA-N 1 0 309.366 1.017 20 5 DDBDRO C[C@H]1COC[C@H]1[NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000932486306 714343386 /nfs/dbraw/zinc/34/33/86/714343386.db2.gz CQJYRLDFYXUJJC-CMPLNLGQSA-N 1 0 321.333 1.517 20 5 DDBDRO COC(=O)[C@@H]1CC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000933171384 714527279 /nfs/dbraw/zinc/52/72/79/714527279.db2.gz STKQZOXRRYPUAP-UXIGCNINSA-N 1 0 322.361 1.902 20 5 DDBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1C(=O)N[C@@H](C[NH+](C)C)C1=O ZINC000924528863 714604906 /nfs/dbraw/zinc/60/49/06/714604906.db2.gz JXSAHGVFMDWRHL-ONGXEEELSA-N 1 0 306.322 1.138 20 5 DDBDRO C[C@@H]1[C@H](NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000925345678 714822442 /nfs/dbraw/zinc/82/24/42/714822442.db2.gz XRTKDYAZUDWVDN-IUODEOHRSA-N 1 0 320.393 1.871 20 5 DDBDRO C[C@@H]1[C@@H](NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000925345677 714822452 /nfs/dbraw/zinc/82/24/52/714822452.db2.gz XRTKDYAZUDWVDN-DOMZBBRYSA-N 1 0 320.393 1.871 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCNCC[NH2+]CC1 ZINC000926092129 715004857 /nfs/dbraw/zinc/00/48/57/715004857.db2.gz XYQKHMXSSNRFIP-UHFFFAOYSA-N 1 0 321.381 1.238 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000935760747 715126702 /nfs/dbraw/zinc/12/67/02/715126702.db2.gz PVLDTUSIWWRWAY-UHFFFAOYSA-N 1 0 321.381 1.233 20 5 DDBDRO C[NH+](C)CC1CCN(c2c(Cl)[n+]([O-])ccc2[N+](=O)[O-])CC1 ZINC001165041726 721945791 /nfs/dbraw/zinc/94/57/91/721945791.db2.gz JJBAYIRLGXNBRB-UHFFFAOYSA-N 1 0 314.773 1.660 20 5 DDBDRO [NH3+]CCc1nnn(-c2ccc([N+](=O)[O-])cc2C(F)(F)F)n1 ZINC001167790866 738628615 /nfs/dbraw/zinc/62/86/15/738628615.db2.gz OEDJVUQKYVTBIK-UHFFFAOYSA-N 1 0 302.216 1.091 20 5 DDBDRO Cc1cc(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)ns1 ZINC001126372093 739550649 /nfs/dbraw/zinc/55/06/49/739550649.db2.gz NAOJUPNIGAQQQY-UHFFFAOYSA-N 1 0 320.374 1.879 20 5 DDBDRO CCC[N@H+](C)CC(=O)N(CC)CCNc1ccc([N+](=O)[O-])cn1 ZINC001106809502 746138266 /nfs/dbraw/zinc/13/82/66/746138266.db2.gz VJDMNECXCRCRHP-UHFFFAOYSA-N 1 0 323.397 1.592 20 5 DDBDRO Cc1cc(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])on1 ZINC001123424319 746509316 /nfs/dbraw/zinc/50/93/16/746509316.db2.gz VABFEISXNIYWEZ-UHFFFAOYSA-N 1 0 304.306 1.411 20 5 DDBDRO CC[NH+](CC)CCCCNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC001137167566 749374972 /nfs/dbraw/zinc/37/49/72/749374972.db2.gz NEDJVCUKGHPMPH-UHFFFAOYSA-N 1 0 310.354 1.547 20 5 DDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([NH+](CC2CC2)CC2CC2)CC1 ZINC001039485539 762071916 /nfs/dbraw/zinc/07/19/16/762071916.db2.gz DOAVHJBDCWIWRH-HZPDHXFCSA-N 1 0 321.421 1.765 20 5 DDBDRO CCCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC2 ZINC001035186648 751268993 /nfs/dbraw/zinc/26/89/93/751268993.db2.gz HXZBGWMOGAGPPK-ZIAGYGMSSA-N 1 0 309.410 1.766 20 5 DDBDRO [NH2+]=C(N[C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1cnc2ccc(F)cn21 ZINC001169003053 762173008 /nfs/dbraw/zinc/17/30/08/762173008.db2.gz MQCBIISIJJWBHE-GXSJLCMTSA-N 1 0 305.313 1.834 20 5 DDBDRO Cc1nc(CC[NH3+])nn1-c1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC001168987573 762180440 /nfs/dbraw/zinc/18/04/40/762180440.db2.gz RKEQDDWHGQDYGR-UHFFFAOYSA-N 1 0 316.243 1.399 20 5 DDBDRO COC[C@H]1Cn2nccc2C[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169026719 762203066 /nfs/dbraw/zinc/20/30/66/762203066.db2.gz NLIUFLOZFOOPOV-BFHYXJOUSA-N 1 0 308.382 1.407 20 5 DDBDRO COC(=O)c1cnc2c(c1)C[N@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169055914 762209767 /nfs/dbraw/zinc/20/97/67/762209767.db2.gz RFGKWGUWYYRBGX-FZMZJTMJSA-N 1 0 319.361 1.672 20 5 DDBDRO C[C@H]([NH3+])c1ccn(-c2ncnc3cc(F)c([N+](=O)[O-])cc32)n1 ZINC001169229536 762290419 /nfs/dbraw/zinc/29/04/19/762290419.db2.gz JXNYXDQFNGQQEG-ZETCQYMHSA-N 1 0 302.269 1.883 20 5 DDBDRO O=[N+]([O-])c1ccnc(Cl)c1NCc1ncn2c1C[NH2+]CCC2 ZINC001169239959 762305090 /nfs/dbraw/zinc/30/50/90/762305090.db2.gz FNGRINGZVONKHU-UHFFFAOYSA-N 1 0 322.756 1.945 20 5 DDBDRO CC[N@H+](C)CCC(=O)N[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001097212185 756980917 /nfs/dbraw/zinc/98/09/17/756980917.db2.gz NNGQLYHUSTYPQI-OKILXGFUSA-N 1 0 320.393 1.996 20 5 DDBDRO C[NH+](C)CCC(=O)N[C@H]1C[C@@H](Nc2ccccc2[N+](=O)[O-])C1 ZINC001097252037 757034679 /nfs/dbraw/zinc/03/46/79/757034679.db2.gz QSKDTIZITYDFOE-TXEJJXNPSA-N 1 0 306.366 1.606 20 5 DDBDRO CC1(C)CC(C[NH+]2CCC(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)C1 ZINC001001400321 762826350 /nfs/dbraw/zinc/82/63/50/762826350.db2.gz QJEQZWRQPXNIHA-HUUCEWRRSA-N 1 0 323.437 1.916 20 5 DDBDRO CN(C)/C=C/c1cc(-n2ccc(CC[NH3+])n2)ncc1[N+](=O)[O-] ZINC001156905208 764076412 /nfs/dbraw/zinc/07/64/12/764076412.db2.gz HTYQHPNYKCDZOJ-QPJJXVBHSA-N 1 0 302.338 1.209 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])c(NCC2C[NH+](C)C2)cc1OC ZINC001170256343 766205524 /nfs/dbraw/zinc/20/55/24/766205524.db2.gz HNWNZUYXPMQZOV-UHFFFAOYSA-N 1 0 309.322 1.364 20 5 DDBDRO COc1ccc(C[C@@H](C)N2CCO[C@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC001170311058 766244311 /nfs/dbraw/zinc/24/43/11/766244311.db2.gz ZBGNRGWILXNKPT-BXUZGUMPSA-N 1 0 309.366 1.194 20 5 DDBDRO COc1ccc(C[C@H](C)[NH2+][C@@H]2CCCNC(=O)C2)c([N+](=O)[O-])c1 ZINC001170325890 766253144 /nfs/dbraw/zinc/25/31/44/766253144.db2.gz BQPILESMVJKSPW-WCQYABFASA-N 1 0 321.377 1.793 20 5 DDBDRO COc1ccc(C[C@@H](C)[N@@H+]2CCOC[C@](C)(O)C2)c([N+](=O)[O-])c1 ZINC001170335726 766257377 /nfs/dbraw/zinc/25/73/77/766257377.db2.gz QPIBKPMOHIEPAV-MLGOLLRUSA-N 1 0 324.377 1.618 20 5 DDBDRO CCc1nocc1C(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001133484609 769902683 /nfs/dbraw/zinc/90/26/83/769902683.db2.gz DZZVWAHRYVBAGH-UHFFFAOYSA-N 1 0 324.362 1.726 20 5 DDBDRO [NH3+]Cc1ccc2cn(-c3c(F)c([N+](=O)[O-])cc[n+]3[O-])nc2c1 ZINC001171321060 773368503 /nfs/dbraw/zinc/36/85/03/773368503.db2.gz OTHQMJFHDVEXQJ-UHFFFAOYSA-N 1 0 303.253 1.165 20 5 DDBDRO C[NH+](C)CC1(C(=O)NCCNc2ccc([N+](=O)[O-])cc2F)CC1 ZINC001094089992 775423143 /nfs/dbraw/zinc/42/31/43/775423143.db2.gz RWFOAARDGSGSDF-UHFFFAOYSA-N 1 0 324.356 1.604 20 5 DDBDRO Cc1ccnc(NCCNC(=O)C[N@@H+](C)C2CCC2)c1[N+](=O)[O-] ZINC001094221356 775541086 /nfs/dbraw/zinc/54/10/86/775541086.db2.gz AUCIDWBYNJUIKI-UHFFFAOYSA-N 1 0 321.381 1.311 20 5 DDBDRO O=C1CC[C@H](C[NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)N1 ZINC001172898204 776913956 /nfs/dbraw/zinc/91/39/56/776913956.db2.gz HOXPPNHTLJUGMO-ZIAGYGMSSA-N 1 0 303.362 1.710 20 5 DDBDRO Cn1ccc(C(=O)NCCC[NH2+]Cc2cccc([N+](=O)[O-])c2)n1 ZINC001176072235 778013345 /nfs/dbraw/zinc/01/33/45/778013345.db2.gz NHGVZBAUBLDHDH-UHFFFAOYSA-N 1 0 317.349 1.238 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@H]1COC[C@@H]1C ZINC001176355945 778132949 /nfs/dbraw/zinc/13/29/49/778132949.db2.gz PSBGAQMNZOHFJL-KWBADKCTSA-N 1 0 323.349 1.555 20 5 DDBDRO O=C1OCC[C@@]12CCN(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C2 ZINC001177001139 778383657 /nfs/dbraw/zinc/38/36/57/778383657.db2.gz BZDITDKELZAOGV-CQSZACIVSA-N 1 0 321.289 1.642 20 5 DDBDRO Cc1nc[nH]c1C(=O)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001177564152 778649098 /nfs/dbraw/zinc/64/90/98/778649098.db2.gz MAOLKAGYNYLGQF-UHFFFAOYSA-N 1 0 317.349 1.536 20 5 DDBDRO Cc1nocc1C[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001178458354 779058473 /nfs/dbraw/zinc/05/84/73/779058473.db2.gz CKEDBJCRZMHPKM-ZIAGYGMSSA-N 1 0 324.381 1.414 20 5 DDBDRO CC(=O)NCC1([NH2+]Cc2c([N+](=O)[O-])ncn2C)CCCCC1 ZINC001115372024 780074349 /nfs/dbraw/zinc/07/43/49/780074349.db2.gz AKHPECGAOANMIP-UHFFFAOYSA-N 1 0 309.370 1.257 20 5 DDBDRO O=C(NC/C=C\C[NH2+]Cc1ccccc1[N+](=O)[O-])c1cnco1 ZINC001268578814 840478499 /nfs/dbraw/zinc/47/84/99/840478499.db2.gz YZHOBQODWYDNHN-ARJAWSKDSA-N 1 0 316.317 1.659 20 5 DDBDRO CCc1noc(C)c1C[NH2+]CCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001268791207 840818580 /nfs/dbraw/zinc/81/85/80/840818580.db2.gz MYVDLBULLGVAAX-BXUZGUMPSA-N 1 0 324.381 1.149 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H]2C[C@H]([NH+](C)C)C23CCC3)n1 ZINC001149204868 861486191 /nfs/dbraw/zinc/48/61/91/861486191.db2.gz IWIRVLJZSYVQLS-KBPBESRZSA-N 1 0 318.377 1.901 20 5 DDBDRO O=C(CCc1c[nH]cn1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC001326852446 861660111 /nfs/dbraw/zinc/66/01/11/861660111.db2.gz JEPSGXCDYSXXHG-UHFFFAOYSA-N 1 0 318.337 1.311 20 5 DDBDRO CCOC1(OCC)CC[NH2+]C[C@H]1Nc1ccc([N+](=O)[O-])c(C)n1 ZINC001155225254 861862837 /nfs/dbraw/zinc/86/28/37/861862837.db2.gz QAOGXAYLNLRUGI-CYBMUJFWSA-N 1 0 324.381 1.841 20 5 DDBDRO CC(C)Oc1nc(N[C@@H]2COCCC23C[NH2+]C3)ccc1[N+](=O)[O-] ZINC001155472626 862127779 /nfs/dbraw/zinc/12/77/79/862127779.db2.gz YIPUXNWZHRLBIM-GFCCVEGCSA-N 1 0 322.365 1.567 20 5 DDBDRO COc1ncnc2c1CC[N@@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169021298 850518350 /nfs/dbraw/zinc/51/83/50/850518350.db2.gz KLLPFFRQTUERTH-VXGBXAGGSA-N 1 0 306.366 1.331 20 5 DDBDRO O=[N+]([O-])c1c[nH]c2ccc(NC[C@@H]3CO[C@@H]4C[NH2+]C[C@H]34)nc21 ZINC001155483683 862146614 /nfs/dbraw/zinc/14/66/14/862146614.db2.gz QSSQXGCTKPONBD-KBVBSXBZSA-N 1 0 303.322 1.117 20 5 DDBDRO O=[N+]([O-])c1cc(NCc2noc3c2C[NH2+]CC3)nc2[nH]ccc21 ZINC001155497052 862161147 /nfs/dbraw/zinc/16/11/47/862161147.db2.gz CKZFUUXKOZEJOU-UHFFFAOYSA-N 1 0 314.305 1.717 20 5 DDBDRO C[NH+](C)C1(C)CCN(C(=O)c2cnc(N)c([N+](=O)[O-])c2)CC1 ZINC001150286800 862170338 /nfs/dbraw/zinc/17/03/38/862170338.db2.gz NJDSRMUYXCEFJW-UHFFFAOYSA-N 1 0 307.354 1.128 20 5 DDBDRO Cc1c(C)c(NC[C@H]2OC[C@H]3C[NH2+]CC[C@H]32)ncc1[N+](=O)[O-] ZINC001155527050 862194419 /nfs/dbraw/zinc/19/44/19/862194419.db2.gz IXHDJUOWYVVCIM-YRGRVCCFSA-N 1 0 306.366 1.643 20 5 DDBDRO Cc1c(C)c(N[C@H]2CCO[C@@]3(CC[NH2+]C3)C2)ncc1[N+](=O)[O-] ZINC001155624371 862307619 /nfs/dbraw/zinc/30/76/19/862307619.db2.gz WDBCQAFRUDLZNF-WFASDCNBSA-N 1 0 306.366 1.930 20 5 DDBDRO O=[N+]([O-])c1c[nH]c2ccc(N(c3ncccn3)C3C[NH2+]C3)nc21 ZINC001155872054 862527471 /nfs/dbraw/zinc/52/74/71/862527471.db2.gz XQBOOSJTQHOLIG-UHFFFAOYSA-N 1 0 311.305 1.371 20 5 DDBDRO CCn1cccc1C(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001151189757 862666328 /nfs/dbraw/zinc/66/63/28/862666328.db2.gz DLDZDHZFISZMOU-UHFFFAOYSA-N 1 0 316.361 1.936 20 5 DDBDRO C[N@@H+]1CCCC[C@@H]1CNC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC001121918265 858633104 /nfs/dbraw/zinc/63/31/04/858633104.db2.gz DEHUSFDCVPKUFH-CQSZACIVSA-N 1 0 306.366 1.878 20 5 DDBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCC[C@@H]1CSCC[NH2+]1 ZINC001122001891 858657549 /nfs/dbraw/zinc/65/75/49/858657549.db2.gz VKOXTLNYSLCUPT-VUUYWXRKSA-N 1 0 321.402 1.819 20 5 DDBDRO O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1ccccn1 ZINC001122578963 858896485 /nfs/dbraw/zinc/89/64/85/858896485.db2.gz HHEBJDDAYIMTKH-UHFFFAOYSA-N 1 0 306.347 1.571 20 5 DDBDRO COc1ncnc(NCC2CC[NH+](C(C)C)CC2)c1[N+](=O)[O-] ZINC001156501260 863106024 /nfs/dbraw/zinc/10/60/24/863106024.db2.gz HSHRCLLNQQRMTF-UHFFFAOYSA-N 1 0 309.370 1.926 20 5 DDBDRO [NH3+]Cc1cnc2c(ccn2-c2nc(Cl)ncc2[N+](=O)[O-])c1 ZINC001156593957 863174562 /nfs/dbraw/zinc/17/45/62/863174562.db2.gz RAATYJGFMHAALS-UHFFFAOYSA-N 1 0 304.697 1.836 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)CN(C[C@H](O)CC1(O)CCC1)CC2 ZINC001329224490 863546523 /nfs/dbraw/zinc/54/65/23/863546523.db2.gz YHXITANBWMPPBU-OAHLLOKOSA-N 1 0 306.362 1.619 20 5 DDBDRO N=C(Nc1nc(Cl)nc(Cl)c1[N+](=O)[O-])SCC[NH3+] ZINC001157128148 863589159 /nfs/dbraw/zinc/58/91/59/863589159.db2.gz CVNUFGRQRAYOJR-UHFFFAOYSA-N 1 0 311.154 1.730 20 5 DDBDRO COc1cc2ncnc(NC(=N)SCC[NH3+])c2cc1[N+](=O)[O-] ZINC001157129528 863601071 /nfs/dbraw/zinc/60/10/71/863601071.db2.gz NQORMMFPJGYFMK-UHFFFAOYSA-N 1 0 322.350 1.585 20 5 DDBDRO C[N@@H+]1CCC[C@@H]2CN(c3cc([N+](=O)[O-])cc(Cl)[n+]3[O-])C[C@H]21 ZINC001157271047 863700585 /nfs/dbraw/zinc/70/05/85/863700585.db2.gz HGXSPGPUIWXBTK-MWLCHTKSSA-N 1 0 312.757 1.412 20 5 DDBDRO CC[NH+](CC)CCOCCNC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001153842101 864149040 /nfs/dbraw/zinc/14/90/40/864149040.db2.gz ZAFRMYSBGPYIEW-UHFFFAOYSA-N 1 0 324.381 1.265 20 5 DDBDRO CC(C)OCCCNc1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001157867508 864205097 /nfs/dbraw/zinc/20/50/97/864205097.db2.gz MDOYKVKPOFCGOQ-UHFFFAOYSA-N 1 0 324.385 1.021 20 5 DDBDRO C[C@H](Nc1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-])C(C)(C)C ZINC001157872033 864210769 /nfs/dbraw/zinc/21/07/69/864210769.db2.gz HNXBRRFOGBFFDN-JTQLQIEISA-N 1 0 308.386 1.641 20 5 DDBDRO O=C(NCCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1ccncc1 ZINC001154139914 864442917 /nfs/dbraw/zinc/44/29/17/864442917.db2.gz HWASBWJTSJGQEL-UHFFFAOYSA-N 1 0 320.374 1.961 20 5 DDBDRO CCOC(=O)c1ccnc(N(CC)[C@H]2CCC[NH2+]C2)c1[N+](=O)[O-] ZINC001158205938 864488005 /nfs/dbraw/zinc/48/80/05/864488005.db2.gz XWWAUDQCKGJYJW-NSHDSACASA-N 1 0 322.365 1.745 20 5 DDBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@H]1O[C@@H](C(C)C)O[C@@H]1C[NH3+] ZINC001159238817 865178622 /nfs/dbraw/zinc/17/86/22/865178622.db2.gz SJSVYDSDRXLADP-BZPMIXESSA-N 1 0 310.354 1.435 20 5 DDBDRO O=C(Cc1ccccc1[N+](=O)[O-])NC[C@H]1C[NH2+]CCC1(F)F ZINC001333770781 866999712 /nfs/dbraw/zinc/99/97/12/866999712.db2.gz JKBAYFQLPHLAJU-LLVKDONJSA-N 1 0 313.304 1.498 20 5 DDBDRO O=[N+]([O-])c1cc(F)cc2ccc(NC[C@@]34C[NH2+][C@@H](CO3)C4)nc21 ZINC001163197027 868206096 /nfs/dbraw/zinc/20/60/96/868206096.db2.gz KWSJZCRCVVLZHL-IAQYHMDHSA-N 1 0 318.308 1.825 20 5 DDBDRO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C[C@H]2C1 ZINC001335370515 868255621 /nfs/dbraw/zinc/25/56/21/868255621.db2.gz LTLDTQDTHSMVEG-IJLUTSLNSA-N 1 0 306.366 1.725 20 5 DDBDRO Cc1nnc(C[NH3+])n1-c1nc(Cl)nc2ccc([N+](=O)[O-])cc21 ZINC001163346087 868381495 /nfs/dbraw/zinc/38/14/95/868381495.db2.gz JUKYZWSPBYUHKB-UHFFFAOYSA-N 1 0 319.712 1.539 20 5 DDBDRO Cn1cc(N[C@H]2CCCC[C@@]23C[NH2+]CCO3)cc([N+](=O)[O-])c1=O ZINC001163650767 868594485 /nfs/dbraw/zinc/59/44/85/868594485.db2.gz SFSAEAJYIIYZEX-DZGCQCFKSA-N 1 0 322.365 1.007 20 5 DDBDRO CNc1cc([N+](=O)[O-])cnc1NCC1([NH+](C)C)CCN(C)CC1 ZINC001164211877 869018704 /nfs/dbraw/zinc/01/87/04/869018704.db2.gz UUCICZSHICABNW-UHFFFAOYSA-N 1 0 322.413 1.469 20 5 DDBDRO CC1(C)CN(c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)[C@@](C)(CO)C1 ZINC001164363032 869154074 /nfs/dbraw/zinc/15/40/74/869154074.db2.gz UGZFNNUCKWOHEO-OAHLLOKOSA-N 1 0 321.381 1.059 20 5 DDBDRO C[C@H]1CC[C@@H](C[NH3+])CN1c1cc([N+](=O)[O-])cc(Cl)[n+]1[O-] ZINC001164469065 869215532 /nfs/dbraw/zinc/21/55/32/869215532.db2.gz WSSYHMKGAQSAIE-IUCAKERBSA-N 1 0 300.746 1.445 20 5 DDBDRO Cc1oncc1C[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001164494559 869232424 /nfs/dbraw/zinc/23/24/24/869232424.db2.gz MGKVCXDBEPLFOC-CHWSQXEVSA-N 1 0 322.365 1.024 20 5 DDBDRO COC(=O)Cc1ccc(OC2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC001226213565 882284153 /nfs/dbraw/zinc/28/41/53/882284153.db2.gz DUKJKZHCYHSLGW-UHFFFAOYSA-N 1 0 308.334 1.783 20 5 DDBDRO CCOC(=O)c1ccnc(N2C[C@H]3C[NH+](C)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001165151273 869410904 /nfs/dbraw/zinc/41/09/04/869410904.db2.gz QMKPPEHQOCXJAW-GHMZBOCLSA-N 1 0 320.349 1.164 20 5 DDBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N2CC[C@@H]3[NH2+]CCO[C@H]3C2)n1 ZINC001165269041 869480318 /nfs/dbraw/zinc/48/03/18/869480318.db2.gz BCKQLKCAJYGVQQ-QWRGUYRKSA-N 1 0 312.757 1.519 20 5 DDBDRO Nc1nc(N2C[C@H]3c4ccccc4C[NH2+][C@@H]3C2)ccc1[N+](=O)[O-] ZINC001165351555 869537325 /nfs/dbraw/zinc/53/73/25/869537325.db2.gz GGMXELKDWXHJOW-QWHCGFSZSA-N 1 0 311.345 1.648 20 5 DDBDRO Nc1cc([N+](=O)[O-])cnc1N1C[C@H]2c3ccccc3C[NH2+][C@@H]2C1 ZINC001165351009 869537587 /nfs/dbraw/zinc/53/75/87/869537587.db2.gz MRFOAQZPVDSHHL-DZGCQCFKSA-N 1 0 311.345 1.648 20 5 DDBDRO COc1cnc(-n2c(C)nc3c2CC[NH2+]CC3)c([N+](=O)[O-])c1 ZINC001165353582 869541870 /nfs/dbraw/zinc/54/18/70/869541870.db2.gz RPIVAHOJSZDDPP-UHFFFAOYSA-N 1 0 303.322 1.181 20 5 DDBDRO Cc1cc(C(=O)N[C@@H]2CC[C@H]3C[N@@H+](C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC001337837313 869653216 /nfs/dbraw/zinc/65/32/16/869653216.db2.gz ZXRKZUFYVVHDNO-MELADBBJSA-N 1 0 303.362 1.973 20 5 DDBDRO Cc1nocc1C(=O)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001165666469 869672811 /nfs/dbraw/zinc/67/28/11/869672811.db2.gz GGAMQNSUUUGJPN-UHFFFAOYSA-N 1 0 318.333 1.801 20 5 DDBDRO CC(C)[NH+]1CCN(c2nnc(-c3ccc([N+](=O)[O-])o3)n2C)CC1 ZINC001338057524 869773463 /nfs/dbraw/zinc/77/34/63/869773463.db2.gz QOPPRWUNNBCMDH-UHFFFAOYSA-N 1 0 320.353 1.514 20 5 DDBDRO Cc1cccc(NC[C@@]2(CO)COC[C@@H]3CCC[N@@H+]32)c1[N+](=O)[O-] ZINC001338162753 869842728 /nfs/dbraw/zinc/84/27/28/869842728.db2.gz MOWNPCGUQRPUCT-XJKSGUPXSA-N 1 0 321.377 1.541 20 5 DDBDRO CC(=CC(=O)OC(C)C)Nc1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-] ZINC001166748612 870219130 /nfs/dbraw/zinc/21/91/30/870219130.db2.gz ZQMCDUCHXOHHLK-WTKPLQERSA-N 1 0 321.337 1.339 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1nnc(-c2ccccc2)o1 ZINC001226382553 882398372 /nfs/dbraw/zinc/39/83/72/882398372.db2.gz MWODYCPCZUCELW-GFCCVEGCSA-N 1 0 306.342 1.099 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC001340119253 870901197 /nfs/dbraw/zinc/90/11/97/870901197.db2.gz OYXQNBSMQBWNHY-ZDUSSCGKSA-N 1 0 321.381 1.090 20 5 DDBDRO [NH3+]CC[C@H](NC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)C(F)F ZINC001340164149 870931414 /nfs/dbraw/zinc/93/14/14/870931414.db2.gz MZTXSPVZILWGAE-WOPDTQHZSA-N 1 0 313.304 1.797 20 5 DDBDRO COC[C@@](C)([NH3+])CNc1c2cc(Cl)ccc2ncc1[N+](=O)[O-] ZINC001306969822 871386485 /nfs/dbraw/zinc/38/64/85/871386485.db2.gz WBMDAWITNBQWEO-AWEZNQCLSA-N 1 0 324.768 1.994 20 5 DDBDRO COc1ccc(CC(=O)N2CC[C@@H](CC[NH3+])C2)cc1[N+](=O)[O-] ZINC001341125002 871515133 /nfs/dbraw/zinc/51/51/33/871515133.db2.gz WBZRFZODCFYVAO-LLVKDONJSA-N 1 0 307.350 1.343 20 5 DDBDRO COc1ccc(CC(=O)N2CCC3(C[NH2+]C3)CC2)cc1[N+](=O)[O-] ZINC001342069163 871984493 /nfs/dbraw/zinc/98/44/93/871984493.db2.gz MLAGGLVTJGCRAN-UHFFFAOYSA-N 1 0 319.361 1.358 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCCC[C@]12CCC[NH2+]C2 ZINC001342142691 872033730 /nfs/dbraw/zinc/03/37/30/872033730.db2.gz XGAWDIYAEOPTHP-CQSZACIVSA-N 1 0 307.354 1.077 20 5 DDBDRO [NH3+]C[C@@]12CC[C@@H]1CCN2C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC001342260974 872107275 /nfs/dbraw/zinc/10/72/75/872107275.db2.gz YNHJMASNQCJKBW-WBMJQRKESA-N 1 0 319.361 1.704 20 5 DDBDRO Cc1conc1C[NH2+]CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCC1 ZINC001318632818 872178886 /nfs/dbraw/zinc/17/88/86/872178886.db2.gz PKIMPZDDMYOTME-DGCLKSJQSA-N 1 0 322.365 1.167 20 5 DDBDRO C[C@@H]1CN(C(=O)COc2ccc([N+](=O)[O-])cc2)C[C@H]1CC[NH3+] ZINC001342531171 872249370 /nfs/dbraw/zinc/24/93/70/872249370.db2.gz WVLGPOBUCNRMMD-VXGBXAGGSA-N 1 0 307.350 1.417 20 5 DDBDRO C[C@@H](NC(=O)[C@]12C[NH2+]C[C@H]1COC2)c1ccc([N+](=O)[O-])cc1 ZINC001342592209 872281397 /nfs/dbraw/zinc/28/13/97/872281397.db2.gz QTABWYJHHOKJLE-GMXABZIVSA-N 1 0 305.334 1.008 20 5 DDBDRO COc1c(O)ccc(C[NH2+]CCC2(CO)CCC2)c1[N+](=O)[O-] ZINC001206516786 872403111 /nfs/dbraw/zinc/40/31/11/872403111.db2.gz DYTKCTRILOAUDC-UHFFFAOYSA-N 1 0 310.350 1.951 20 5 DDBDRO O=C(N[C@H]1C[NH2+]CC12CC2)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC001342865650 872418948 /nfs/dbraw/zinc/41/89/48/872418948.db2.gz JKKIUGILMXUGGS-AWEZNQCLSA-N 1 0 316.361 1.651 20 5 DDBDRO COc1cc(C(=O)NC[C@@H]2CCCCC[NH2+]2)ccc1[N+](=O)[O-] ZINC001343085724 872494476 /nfs/dbraw/zinc/49/44/76/872494476.db2.gz OTRUUSJDLYVDTQ-LBPRGKRZSA-N 1 0 307.350 1.865 20 5 DDBDRO C[C@H]1CCN(CC[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC001346265840 873676895 /nfs/dbraw/zinc/67/68/95/873676895.db2.gz XPHGRYSRTIXPAN-DZGCQCFKSA-N 1 0 323.393 1.266 20 5 DDBDRO O=C(CNc1ccccc1[N+](=O)[O-])NC[C@H]1CCC[NH2+]CC1 ZINC001346441067 873755018 /nfs/dbraw/zinc/75/50/18/873755018.db2.gz JKQDFTVVUVRVHM-LBPRGKRZSA-N 1 0 306.366 1.513 20 5 DDBDRO Cc1cc2nc(OC(=O)C[C@@H](O)C[N+](C)(C)C)[nH]c2cc1C ZINC001227236661 882924340 /nfs/dbraw/zinc/92/43/40/882924340.db2.gz XLHDFJJZELVKOY-GFCCVEGCSA-N 1 0 306.386 1.542 20 5 DDBDRO CCc1nccn1CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC001213722735 876029970 /nfs/dbraw/zinc/02/99/70/876029970.db2.gz MYBSOSMUNPXFEE-UHFFFAOYSA-N 1 0 324.362 1.332 20 5 DDBDRO C[C@@H]1C[NH2+]C[C@H]1CNC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001358070161 880314708 /nfs/dbraw/zinc/31/47/08/880314708.db2.gz HTGSPMOEDLXQQV-UEEZHKSASA-N 1 0 303.362 1.670 20 5 DDBDRO C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC001358082786 880319468 /nfs/dbraw/zinc/31/94/68/880319468.db2.gz BSLWMVHWKFFOLH-CHWSQXEVSA-N 1 0 320.393 1.393 20 5 DDBDRO CCOC(=O)c1ccccc1COC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001223081871 880818333 /nfs/dbraw/zinc/81/83/33/880818333.db2.gz YVSRXADKHWPTBI-CQSZACIVSA-N 1 0 324.397 1.364 20 5 DDBDRO COC(=O)[C@H](O[C@H]1CCC[N@H+](C)C1)c1ccccc1[N+](=O)[O-] ZINC001223644524 881038995 /nfs/dbraw/zinc/03/89/95/881038995.db2.gz VHJWCLKWPXEDKR-SMDDNHRTSA-N 1 0 308.334 1.920 20 5 DDBDRO COc1c(F)cc(OC(=O)C[C@@H](O)C[N+](C)(C)C)cc1F ZINC001227874490 883210948 /nfs/dbraw/zinc/21/09/48/883210948.db2.gz SVJUWGAZGRHKRS-SECBINFHSA-N 1 0 304.313 1.336 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cc(F)cc(F)c1Cl ZINC001228429780 883494574 /nfs/dbraw/zinc/49/45/74/883494574.db2.gz QNJYTJUHCSSQBY-SECBINFHSA-N 1 0 308.732 1.981 20 5 DDBDRO CCc1cc(Cl)nnc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001230535734 884550374 /nfs/dbraw/zinc/55/03/74/884550374.db2.gz IMOCBJNLLWJXMH-SNVBAGLBSA-N 1 0 302.782 1.055 20 5 DDBDRO C[N@H+](CCCNC(=O)c1ccn[nH]1)Cc1cccc([N+](=O)[O-])c1 ZINC001234243575 887783808 /nfs/dbraw/zinc/78/38/08/887783808.db2.gz JOLXFUBBRJHLPY-UHFFFAOYSA-N 1 0 317.349 1.570 20 5 DDBDRO COc1cc(F)c(OC(=O)C[C@@H](O)C[N+](C)(C)C)cc1Cl ZINC001234324562 887866590 /nfs/dbraw/zinc/86/65/90/887866590.db2.gz UFBHHQGCMXLYBS-SECBINFHSA-N 1 0 320.768 1.850 20 5 DDBDRO COCC[NH+]1CCC(Oc2nc(OC)ccc2[N+](=O)[O-])CC1 ZINC001234881931 888237274 /nfs/dbraw/zinc/23/72/74/888237274.db2.gz SSLVIIIGXUCLEH-UHFFFAOYSA-N 1 0 311.338 1.488 20 5 DDBDRO COC(=O)[C@H](CCCC[NH3+])N[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001246151655 892445306 /nfs/dbraw/zinc/44/53/06/892445306.db2.gz KODIAHCDIQIDPL-OCCSQVGLSA-N 1 0 323.393 1.786 20 5 DDBDRO COC(=O)[C@H](CCC[NH3+])N[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001246402426 892604205 /nfs/dbraw/zinc/60/42/05/892604205.db2.gz WFTADSCETGPCEY-AAEUAGOBSA-N 1 0 309.366 1.396 20 5 DDBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@]23CCC[C@H]2C[NH2+]C3)n1 ZINC001247898401 893463624 /nfs/dbraw/zinc/46/36/24/893463624.db2.gz PGUSZNZDHKBMMQ-RTHLEPHNSA-N 1 0 319.296 1.820 20 5 DDBDRO CC(=O)OCC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254472852 896455982 /nfs/dbraw/zinc/45/59/82/896455982.db2.gz RJTGEOWSAVTNGM-UHFFFAOYSA-N 1 0 307.350 1.716 20 5 DDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CC[C@@H](S(C)(=O)=O)C1 ZINC001254563470 896502782 /nfs/dbraw/zinc/50/27/82/896502782.db2.gz WVIWBXLZRWLGTB-WCQYABFASA-N 1 0 312.391 1.645 20 5 DDBDRO CCN(CC)C(=O)[C@H](C)[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254581439 896512919 /nfs/dbraw/zinc/51/29/19/896512919.db2.gz KHDRLJQSWUALOZ-SMDDNHRTSA-N 1 0 305.378 1.909 20 5 DDBDRO COCCOCCOCC[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254584765 896515267 /nfs/dbraw/zinc/51/52/67/896515267.db2.gz UAZCUGFLDDXEAF-HNNXBMFYSA-N 1 0 324.377 1.331 20 5 DDBDRO COC(=O)[C@H]1CC[C@H]([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254588854 896518858 /nfs/dbraw/zinc/51/88/58/896518858.db2.gz JAZOOGSZLODJCL-UBHSHLNASA-N 1 0 304.346 1.993 20 5 DDBDRO O=C1NCC[C@]12CC[N@@H+]([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254594363 896522207 /nfs/dbraw/zinc/52/22/07/896522207.db2.gz QIINQQHGKCDKHJ-GOEBONIOSA-N 1 0 301.346 1.274 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CC[C@H](N3CCOCC3)C1)C2 ZINC001254601424 896524819 /nfs/dbraw/zinc/52/48/19/896524819.db2.gz ZSBKLWOGNIYUIX-DLBZAZTESA-N 1 0 317.389 1.469 20 5 DDBDRO C[N@H+]([C@H]1Cc2ccc([N+](=O)[O-])cc2C1)C1CCS(=O)(=O)CC1 ZINC001254605065 896526438 /nfs/dbraw/zinc/52/64/38/896526438.db2.gz ZWYGSDCWJWULIC-HNNXBMFYSA-N 1 0 324.402 1.571 20 5 DDBDRO COCCC[NH+]1CCN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254602499 896527797 /nfs/dbraw/zinc/52/77/97/896527797.db2.gz FZULSZCSAKQINO-QGZVFWFLSA-N 1 0 319.405 1.716 20 5 DDBDRO COc1cc(N2CCC([NH2+][C@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC001256083285 897278649 /nfs/dbraw/zinc/27/86/49/897278649.db2.gz OHARZCZUXDMTII-ZDUSSCGKSA-N 1 0 321.377 1.951 20 5 DDBDRO Cc1nc(N2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001262377092 900138270 /nfs/dbraw/zinc/13/82/70/900138270.db2.gz LQWTTWOTCHUZSX-XQQFMLRXSA-N 1 0 305.382 1.860 20 5 DDBDRO C[NH+]1CCN(CCCn2cc([N+](=O)[O-])cc(Cl)c2=O)CC1 ZINC000272863891 210257544 /nfs/dbraw/zinc/25/75/44/210257544.db2.gz VBSDFGLEFNEDIP-UHFFFAOYSA-N 1 0 314.773 1.047 20 5 DDBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@]2(CCO)CCOC2)c1 ZINC000278500406 214193526 /nfs/dbraw/zinc/19/35/26/214193526.db2.gz NPUFPIHDNOMHRE-CYBMUJFWSA-N 1 0 300.742 1.879 20 5 DDBDRO CC(C)(C)[C@H](CO)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000278643481 214298472 /nfs/dbraw/zinc/29/84/72/214298472.db2.gz HBYZYSOVDHQBFM-RISCZKNCSA-N 1 0 312.366 1.331 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H]1CCOC1(C)C ZINC000451239990 231042831 /nfs/dbraw/zinc/04/28/31/231042831.db2.gz GFKIRIIIBBGTHD-GFCCVEGCSA-N 1 0 307.350 1.999 20 5 DDBDRO CCCc1n[nH]c(C(=O)N[C@@H]2CCC[C@H]2[NH+](C)C)c1[N+](=O)[O-] ZINC000614712417 361985845 /nfs/dbraw/zinc/98/58/45/361985845.db2.gz AWBINFDJBXJXHT-MWLCHTKSSA-N 1 0 309.370 1.483 20 5 DDBDRO C[C@H]1C[N@H+](CCO)CCN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000452113977 231306132 /nfs/dbraw/zinc/30/61/32/231306132.db2.gz JDDJVBZRAOBHFN-NSHDSACASA-N 1 0 313.785 1.747 20 5 DDBDRO C[C@H]([NH2+]CCN1CCCS1(=O)=O)c1ccccc1[N+](=O)[O-] ZINC000358125864 299083436 /nfs/dbraw/zinc/08/34/36/299083436.db2.gz IUEMODHUOCBDIA-NSHDSACASA-N 1 0 313.379 1.281 20 5 DDBDRO COCCC[N@H+](CCO)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000614996518 362111105 /nfs/dbraw/zinc/11/11/05/362111105.db2.gz HSIWVPUNRSAELF-UHFFFAOYSA-N 1 0 309.322 1.567 20 5 DDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H](C)C[NH2+]C ZINC000415415089 529730316 /nfs/dbraw/zinc/73/03/16/529730316.db2.gz QAVDOWLJOBHTSL-JTQLQIEISA-N 1 0 322.365 1.067 20 5 DDBDRO C[N@H+](CC(C)(C)CO)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000451260357 529848233 /nfs/dbraw/zinc/84/82/33/529848233.db2.gz ZKUVJAYKYVXOHT-CQSZACIVSA-N 1 0 321.377 1.650 20 5 DDBDRO CN(CC(=O)N(C)[C@@H]1CCC[N@H+](C)C1)c1ccccc1[N+](=O)[O-] ZINC000266333745 282339941 /nfs/dbraw/zinc/33/99/41/282339941.db2.gz WJELZZUJZGSIGL-CYBMUJFWSA-N 1 0 320.393 1.584 20 5 DDBDRO C[C@@H]1[NH2+]CCC[C@@H]1Nc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000229608077 201841972 /nfs/dbraw/zinc/84/19/72/201841972.db2.gz AXNKNLOZSJJULE-UWVGGRQHSA-N 1 0 313.379 1.551 20 5 DDBDRO C[N@H+](CCCCCO)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000279693286 215066543 /nfs/dbraw/zinc/06/65/43/215066543.db2.gz HYKHGVNOMJXLAN-UHFFFAOYSA-N 1 0 321.377 1.578 20 5 DDBDRO COC[C@H]1CCC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000181878947 186214429 /nfs/dbraw/zinc/21/44/29/186214429.db2.gz SIPZURBNOKEKJI-KBPBESRZSA-N 1 0 324.377 1.693 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)n1 ZINC000191854495 186264769 /nfs/dbraw/zinc/26/47/69/186264769.db2.gz VMXLUOKTKZIKBP-NEPJUHHUSA-N 1 0 321.381 1.368 20 5 DDBDRO C[NH+]1CCN(CCCNC(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000264264189 186332437 /nfs/dbraw/zinc/33/24/37/186332437.db2.gz JYRLDHQUUQARIH-UHFFFAOYSA-N 1 0 324.356 1.101 20 5 DDBDRO CNC(=O)[C@@]1(C)CC[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000281322773 186523825 /nfs/dbraw/zinc/52/38/25/186523825.db2.gz YECQAMMQYQKFMN-HNNXBMFYSA-N 1 0 307.350 1.561 20 5 DDBDRO Cc1cc(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])n(C)n1 ZINC000564869562 304021270 /nfs/dbraw/zinc/02/12/70/304021270.db2.gz ZNRPGKIUDJOZKW-ZDUSSCGKSA-N 1 0 320.349 1.166 20 5 DDBDRO CC(C)[N@H+](C)CCCNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000041926523 352318871 /nfs/dbraw/zinc/31/88/71/352318871.db2.gz FBFFEYAYICOISK-UHFFFAOYSA-N 1 0 309.366 1.820 20 5 DDBDRO CC(C)[NH+]1CCC(N(C)C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000044696416 352390863 /nfs/dbraw/zinc/39/08/63/352390863.db2.gz ZQIVNUNQGQJAQR-UHFFFAOYSA-N 1 0 309.370 1.123 20 5 DDBDRO O=[N+]([O-])c1ccccc1CN1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000061783200 352894133 /nfs/dbraw/zinc/89/41/33/352894133.db2.gz VOPOSEVBUBLQGE-HNNXBMFYSA-N 1 0 305.378 1.891 20 5 DDBDRO CC(=O)NC[C@@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000067413287 353047609 /nfs/dbraw/zinc/04/76/09/353047609.db2.gz WBUCLYVHMDQEET-HNNXBMFYSA-N 1 0 305.378 1.985 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)CN2CC[NH+](C)CC2)c1 ZINC000173592922 198230856 /nfs/dbraw/zinc/23/08/56/198230856.db2.gz HYJUFLKPXZTIMD-CYBMUJFWSA-N 1 0 320.393 1.269 20 5 DDBDRO CCc1n[nH]c(C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000174321503 198318893 /nfs/dbraw/zinc/31/88/93/198318893.db2.gz VBIKHVAJGDKCAG-LLVKDONJSA-N 1 0 321.381 1.438 20 5 DDBDRO CC[C@@H](CO)[NH+]1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000075959401 353387817 /nfs/dbraw/zinc/38/78/17/353387817.db2.gz DUJONDRQRMQHOK-HNNXBMFYSA-N 1 0 307.394 1.526 20 5 DDBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC000174705039 198372834 /nfs/dbraw/zinc/37/28/34/198372834.db2.gz CJIWUNZYYZCYRC-NSHDSACASA-N 1 0 323.349 1.246 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H](c2ccccc2)C2CC2)c1 ZINC000174705254 198373509 /nfs/dbraw/zinc/37/35/09/198373509.db2.gz LWZKXONHALUXAX-HOTGVXAUSA-N 1 0 316.361 1.893 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+](Cc2ccccc2)C2CC2)c1 ZINC000174715832 198373677 /nfs/dbraw/zinc/37/36/77/198373677.db2.gz BTRPZOLFKTVCCP-INIZCTEOSA-N 1 0 316.361 1.817 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(NC2CC[NH+]([C@@H]3CCOC3)CC2)n1 ZINC000089603049 353776312 /nfs/dbraw/zinc/77/63/12/353776312.db2.gz CNFQMYSLADVUPL-CYBMUJFWSA-N 1 0 306.366 1.963 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+](CCO)C1CCCCC1 ZINC000090565236 353795491 /nfs/dbraw/zinc/79/54/91/353795491.db2.gz LHDIJMYYDBPPFA-UHFFFAOYSA-N 1 0 309.366 1.384 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](C)[C@H](O)C1 ZINC000093343810 353897707 /nfs/dbraw/zinc/89/77/07/353897707.db2.gz KLMZZELQQXHDAC-SWLSCSKDSA-N 1 0 321.377 1.935 20 5 DDBDRO C[N@@H+]1CCC[C@@H](CNC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000108342753 353951331 /nfs/dbraw/zinc/95/13/31/353951331.db2.gz GILLHDNGKFHMJM-LBPRGKRZSA-N 1 0 307.350 1.432 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000125058921 354044360 /nfs/dbraw/zinc/04/43/60/354044360.db2.gz KJFZNEVUXOQYTB-GHMZBOCLSA-N 1 0 313.379 1.451 20 5 DDBDRO COCC[NH+]1CCN(c2ccc([N+](=O)[O-])c3cccnc32)CC1 ZINC000141178462 354138492 /nfs/dbraw/zinc/13/84/92/354138492.db2.gz AUFMXYPFGDXWFI-UHFFFAOYSA-N 1 0 316.361 1.911 20 5 DDBDRO CCCN(C(=O)COc1ccccc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000236794647 202011462 /nfs/dbraw/zinc/01/14/62/202011462.db2.gz HVNCKGVKXSQXLH-UHFFFAOYSA-N 1 0 321.377 1.964 20 5 DDBDRO CC[C@@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000251887472 354382884 /nfs/dbraw/zinc/38/28/84/354382884.db2.gz VSZWZMAESDDYCX-ZWNOBZJWSA-N 1 0 313.379 1.343 20 5 DDBDRO CNc1ccc(C(=O)N2CC[C@H]([NH+](C)C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000320273366 354526178 /nfs/dbraw/zinc/52/61/78/354526178.db2.gz YUTKUHPXPXVTAT-GWCFXTLKSA-N 1 0 306.366 1.801 20 5 DDBDRO Cn1c2cc(NC3CC[NH+](C)CC3)c([N+](=O)[O-])cc2n(C)c1=O ZINC000587019705 354878454 /nfs/dbraw/zinc/87/84/54/354878454.db2.gz FROWLSZBOPKDGL-UHFFFAOYSA-N 1 0 319.365 1.291 20 5 DDBDRO O=C(c1ccc([N+](=O)[O-])cc1F)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000588861873 354944150 /nfs/dbraw/zinc/94/41/50/354944150.db2.gz VTYRTBXSUPIVGC-NWDGAFQWSA-N 1 0 323.324 1.015 20 5 DDBDRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000236814282 202021602 /nfs/dbraw/zinc/02/16/02/202021602.db2.gz NHEYCCPWUXZKRK-GFCCVEGCSA-N 1 0 311.386 1.358 20 5 DDBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C1COCCOC1 ZINC000589949702 355034489 /nfs/dbraw/zinc/03/44/89/355034489.db2.gz IUKYDKIXYKERFU-LLVKDONJSA-N 1 0 323.349 1.317 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000590548467 355110948 /nfs/dbraw/zinc/11/09/48/355110948.db2.gz FBVBGUNVRJWQIY-QWHCGFSZSA-N 1 0 319.361 1.184 20 5 DDBDRO O=[N+]([O-])c1cncc(Cl)c1NC[C@H](O)C[NH+]1CCCCC1 ZINC000590573384 355117710 /nfs/dbraw/zinc/11/77/10/355117710.db2.gz YEJRSBDTYISLPG-JTQLQIEISA-N 1 0 314.773 1.324 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)N2CC[C@@H]([NH+](C)C)[C@@H]2C)c1[N+](=O)[O-] ZINC000590403651 355085617 /nfs/dbraw/zinc/08/56/17/355085617.db2.gz LLZRDAJUGYRHRW-VHSXEESVSA-N 1 0 309.370 1.606 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]([NH+](C)C)[C@@H]1C ZINC000590404318 355086571 /nfs/dbraw/zinc/08/65/71/355086571.db2.gz YOEACOYIIQRNHY-GWCFXTLKSA-N 1 0 307.350 1.768 20 5 DDBDRO CCC[NH2+]CCNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000236816437 202023672 /nfs/dbraw/zinc/02/36/72/202023672.db2.gz GWXINLUUJXXIIK-UHFFFAOYSA-N 1 0 318.333 1.166 20 5 DDBDRO CC1([NH3+])CCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 ZINC000591356139 355297892 /nfs/dbraw/zinc/29/78/92/355297892.db2.gz URDMUWUJSNKHGP-UHFFFAOYSA-N 1 0 306.366 1.660 20 5 DDBDRO CCOC(=O)c1ccnc(N2CC[C@H]3CC[NH2+][C@H]3C2)c1[N+](=O)[O-] ZINC000591439020 355311163 /nfs/dbraw/zinc/31/11/63/355311163.db2.gz QLDXNMAUESVDAC-PWSUYJOCSA-N 1 0 320.349 1.355 20 5 DDBDRO CCOCC[C@@H](O)C[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000591767619 355380877 /nfs/dbraw/zinc/38/08/77/355380877.db2.gz CGEZNIDEWJRDHM-CQSZACIVSA-N 1 0 321.377 1.996 20 5 DDBDRO CC1(C)C[NH2+][C@H]1C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000592028325 355470110 /nfs/dbraw/zinc/47/01/10/355470110.db2.gz YPOFDIBVEXILKO-AWEZNQCLSA-N 1 0 318.377 1.241 20 5 DDBDRO COC(=O)[C@@H]1C[C@H](O)C[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000592205585 355536997 /nfs/dbraw/zinc/53/69/97/355536997.db2.gz DBOWGBVAMPIWTL-QKCSRTOESA-N 1 0 308.334 1.512 20 5 DDBDRO CC(C)c1ccc(C(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000592310848 355557184 /nfs/dbraw/zinc/55/71/84/355557184.db2.gz YXSVXVKEHAHVNX-XHDPSFHLSA-N 1 0 321.377 1.906 20 5 DDBDRO CC1(C)C[NH2+][C@@H]1C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000592144801 355510449 /nfs/dbraw/zinc/51/04/49/355510449.db2.gz IXTKPTLXCYDJJQ-ZWNOBZJWSA-N 1 0 319.365 1.001 20 5 DDBDRO CC(C)(C[NH2+]Cc1csc([N+](=O)[O-])c1)[C@@]1(O)CCOC1 ZINC000592375029 355569298 /nfs/dbraw/zinc/56/92/98/355569298.db2.gz PDXQICSCNNSOKD-CYBMUJFWSA-N 1 0 300.380 1.924 20 5 DDBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000592544311 355622496 /nfs/dbraw/zinc/62/24/96/355622496.db2.gz BSYJFKVNWQRMDI-SMDDNHRTSA-N 1 0 321.402 1.897 20 5 DDBDRO CCCN(C(=O)COc1ccccc1[N+](=O)[O-])[C@H]1CC[N@H+](C)C1 ZINC000592832113 355707058 /nfs/dbraw/zinc/70/70/58/355707058.db2.gz QGQURPPYGOWQDV-ZDUSSCGKSA-N 1 0 321.377 1.916 20 5 DDBDRO C[NH+](C)[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000593448258 355888133 /nfs/dbraw/zinc/88/81/33/355888133.db2.gz LZUCCSOOGOIKPL-CYBMUJFWSA-N 1 0 309.341 1.829 20 5 DDBDRO CCC(C)(C)[NH+]1CCN(C(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000594083259 356107969 /nfs/dbraw/zinc/10/79/69/356107969.db2.gz WRJFRUBOOROTDA-UHFFFAOYSA-N 1 0 321.381 1.750 20 5 DDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000594429965 356210060 /nfs/dbraw/zinc/21/00/60/356210060.db2.gz XCJGBVPLIXDTHE-CJNGLKHVSA-N 1 0 303.362 1.943 20 5 DDBDRO O=C([C@H]1C[C@]12CCC[NH2+]C2)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000594445236 356219295 /nfs/dbraw/zinc/21/92/95/356219295.db2.gz IVPKVOAVSAXKPZ-CJNGLKHVSA-N 1 0 316.361 1.264 20 5 DDBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+][C@@H]1C[C@@H](O)C13CCC3)OCCO2 ZINC000594988250 356368096 /nfs/dbraw/zinc/36/80/96/356368096.db2.gz OHNBFUYNIAYLGN-HUUCEWRRSA-N 1 0 320.345 1.759 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H](C)CN1CCOCC1 ZINC000595013722 356372205 /nfs/dbraw/zinc/37/22/05/356372205.db2.gz RVAXBQZSETVYCC-CHWSQXEVSA-N 1 0 323.393 1.975 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC[C@@]1(O)CCOC1 ZINC000595048174 356376479 /nfs/dbraw/zinc/37/64/79/356376479.db2.gz VYDHPBPMIUOXEH-XHDPSFHLSA-N 1 0 310.350 1.796 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000595221810 356411281 /nfs/dbraw/zinc/41/12/81/356411281.db2.gz FWVIHARBMPIWKU-GFCCVEGCSA-N 1 0 321.381 1.180 20 5 DDBDRO C[C@@H]1CCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C[C@@H]1[NH3+] ZINC000595228595 356412118 /nfs/dbraw/zinc/41/21/18/356412118.db2.gz DFLDYBXAGPSAOV-RISCZKNCSA-N 1 0 316.361 1.745 20 5 DDBDRO Cc1c(NC(=O)C(=O)N(C)CC(C)(C)[NH3+])cccc1[N+](=O)[O-] ZINC000595240995 356415286 /nfs/dbraw/zinc/41/52/86/356415286.db2.gz ZKFIPZOOXFBFGV-UHFFFAOYSA-N 1 0 308.338 1.037 20 5 DDBDRO Cc1noc(CN2CC[NH+](CC3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000595319893 356448236 /nfs/dbraw/zinc/44/82/36/356448236.db2.gz DUKPMFXEBPRMBG-UHFFFAOYSA-N 1 0 324.381 1.435 20 5 DDBDRO CC(=O)NCC[C@H]1CCCN(Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595494871 356517855 /nfs/dbraw/zinc/51/78/55/356517855.db2.gz CMSZEHUVAJISER-GFCCVEGCSA-N 1 0 310.354 1.629 20 5 DDBDRO C[NH2+]C[C@H]1CCN(Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000347113933 283183046 /nfs/dbraw/zinc/18/30/46/283183046.db2.gz SQLKGQHINVFXJD-LLVKDONJSA-N 1 0 309.366 1.653 20 5 DDBDRO Cc1ccc2c(c1)C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CC2 ZINC000595657527 356594720 /nfs/dbraw/zinc/59/47/20/356594720.db2.gz MKNGNUAQGDWKRP-INIZCTEOSA-N 1 0 316.361 1.519 20 5 DDBDRO COc1ccc(NC(=O)C[NH2+][C@H](CO)C2CCC2)c([N+](=O)[O-])c1 ZINC000595618638 356579738 /nfs/dbraw/zinc/57/97/38/356579738.db2.gz YZQAQGKALZWKNU-CYBMUJFWSA-N 1 0 323.349 1.293 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H]1C[C@H](O)C12CCC2 ZINC000595780786 356649482 /nfs/dbraw/zinc/64/94/82/356649482.db2.gz IGENPKFQOMIVSG-KBPBESRZSA-N 1 0 319.361 1.735 20 5 DDBDRO O=C(CC[N@@H+]1CC[C@@]2(O)C[C@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000595759606 356640624 /nfs/dbraw/zinc/64/06/24/356640624.db2.gz XSWGROGHVLQOOZ-XHDPSFHLSA-N 1 0 305.334 1.380 20 5 DDBDRO Cc1ccc(S(=O)(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-] ZINC000601347657 358510132 /nfs/dbraw/zinc/51/01/32/358510132.db2.gz LBYWTDIJHAYMOC-PHIMTYICSA-N 1 0 311.363 1.028 20 5 DDBDRO O=[N+]([O-])c1cc(CN2CCC([N@@H+]3CC[C@H](O)C3)CC2)cs1 ZINC000595866385 356684178 /nfs/dbraw/zinc/68/41/78/356684178.db2.gz LFNAITSJJSULQB-ZDUSSCGKSA-N 1 0 311.407 1.687 20 5 DDBDRO Cc1c(NC(=O)CCN2CC[C@@H](F)[C@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000595906848 356700950 /nfs/dbraw/zinc/70/09/50/356700950.db2.gz OISAGILRIMBPST-VXGBXAGGSA-N 1 0 324.356 1.603 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC2CC1(C[NH3+])C2 ZINC000595910420 356701584 /nfs/dbraw/zinc/70/15/84/356701584.db2.gz PTLCEMXCYIDTGH-UHFFFAOYSA-N 1 0 304.350 1.265 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@@H]3CCCC[C@@H]32)c1 ZINC000595915181 356703493 /nfs/dbraw/zinc/70/34/93/356703493.db2.gz KWJAWZSCYDCDRB-QEJZJMRPSA-N 1 0 308.382 1.807 20 5 DDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)c1cnnn1C1CC[NH2+]CC1 ZINC000595924275 356706461 /nfs/dbraw/zinc/70/64/61/356706461.db2.gz KKKSZDKXPPLHGR-UHFFFAOYSA-N 1 0 316.321 1.363 20 5 DDBDRO CC[C@H]([NH2+]C)C(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-] ZINC000595925387 356707220 /nfs/dbraw/zinc/70/72/20/356707220.db2.gz QGNVGZPUSNIKGP-LBPRGKRZSA-N 1 0 308.382 1.819 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]1[NH2+]CCC1(C)C ZINC000595932193 356710140 /nfs/dbraw/zinc/71/01/40/356710140.db2.gz MPXFACUOOYGUPA-CYBMUJFWSA-N 1 0 307.350 1.608 20 5 DDBDRO [NH3+][C@@H]1CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[C@H]1F ZINC000595948265 356718235 /nfs/dbraw/zinc/71/82/35/356718235.db2.gz QAORNSSTIZOKPT-NXEZZACHSA-N 1 0 301.705 1.760 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595935449 356711770 /nfs/dbraw/zinc/71/17/70/356711770.db2.gz DDOIDGJILPIHJT-GFCCVEGCSA-N 1 0 321.381 1.180 20 5 DDBDRO C[C@@H]1C[N@@H+](CCCNc2cc[nH]c(=O)c2[N+](=O)[O-])C[C@H](C)O1 ZINC000596071068 356761882 /nfs/dbraw/zinc/76/18/82/356761882.db2.gz XIBSXZWNBDKMDX-PHIMTYICSA-N 1 0 310.354 1.607 20 5 DDBDRO C[C@@H](Nc1ccc([N+](=O)[O-])c(C(N)=O)c1)C1CC[NH+](C)CC1 ZINC000596125727 356782407 /nfs/dbraw/zinc/78/24/07/356782407.db2.gz FBTFPRIJJFTNBK-SNVBAGLBSA-N 1 0 306.366 1.836 20 5 DDBDRO CC[N@@H+]1CC[C@H](N(C)c2ccc([N+](=O)[O-])c(C(N)=O)c2)[C@H](C)C1 ZINC000596136092 356786451 /nfs/dbraw/zinc/78/64/51/356786451.db2.gz HCUIDCOHBPWMAQ-RISCZKNCSA-N 1 0 320.393 1.860 20 5 DDBDRO COc1cccc(NCCN(C)CCC[NH+](C)C)c1[N+](=O)[O-] ZINC000596424651 356875552 /nfs/dbraw/zinc/87/55/52/356875552.db2.gz IXYIEDABZSMCMZ-UHFFFAOYSA-N 1 0 310.398 1.899 20 5 DDBDRO C[C@H](CCNC(=O)NCCOc1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000596288881 356846318 /nfs/dbraw/zinc/84/63/18/356846318.db2.gz IVNTZICLLSZLEM-GFCCVEGCSA-N 1 0 324.381 1.613 20 5 DDBDRO Cc1cc(OCC(=O)NCC[C@@H](C)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000597992045 357408683 /nfs/dbraw/zinc/40/86/83/357408683.db2.gz IYBOTHVWGKCNRT-GFCCVEGCSA-N 1 0 309.366 1.738 20 5 DDBDRO CCN(C(=O)c1cccc([N+](=O)[O-])c1N)[C@@H]1CC[N@H+](CC)C1 ZINC000598042773 357439438 /nfs/dbraw/zinc/43/94/38/357439438.db2.gz YATPBODSMDUCKK-LLVKDONJSA-N 1 0 306.366 1.733 20 5 DDBDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000598261048 357511353 /nfs/dbraw/zinc/51/13/53/357511353.db2.gz DBENCIAMFDAXNT-LLVKDONJSA-N 1 0 309.370 1.179 20 5 DDBDRO [NH3+][C@@]12CCC[C@H]1CN(C(=O)c1cc3c(cc1[N+](=O)[O-])OCO3)C2 ZINC000598668961 357678209 /nfs/dbraw/zinc/67/82/09/357678209.db2.gz DQWIJHICBUYOTR-BJOHPYRUSA-N 1 0 319.317 1.277 20 5 DDBDRO Cc1nn(CCC(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)c(C)c1[N+](=O)[O-] ZINC000598669965 357678936 /nfs/dbraw/zinc/67/89/36/357678936.db2.gz ONFZOECPBQTNRK-DOMZBBRYSA-N 1 0 321.381 1.138 20 5 DDBDRO [NH3+][C@]12CCC[C@H]1CN(C(=O)COc1ccccc1[N+](=O)[O-])C2 ZINC000598666939 357677238 /nfs/dbraw/zinc/67/72/38/357677238.db2.gz CIVNXJRRIXBTND-NHYWBVRUSA-N 1 0 305.334 1.313 20 5 DDBDRO [NH3+][C@@]12CCC[C@@H]1CN(S(=O)(=O)c1ccccc1[N+](=O)[O-])C2 ZINC000598717997 357702593 /nfs/dbraw/zinc/70/25/93/357702593.db2.gz BAGUYQSXIVSKRY-ZWNOBZJWSA-N 1 0 311.363 1.097 20 5 DDBDRO [NH3+][C@@]12CCC[C@@H]1CN(Cc1cc3c(cc1[N+](=O)[O-])OCCO3)C2 ZINC000598720395 357703343 /nfs/dbraw/zinc/70/33/43/357703343.db2.gz QHYISLDVXVRTQH-MLGOLLRUSA-N 1 0 319.361 1.679 20 5 DDBDRO CC(C)C[C@](C)(C[NH3+])NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598914356 357757045 /nfs/dbraw/zinc/75/70/45/357757045.db2.gz BCMNQSLRBHJOOS-OAHLLOKOSA-N 1 0 322.365 1.413 20 5 DDBDRO O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000598916315 357757483 /nfs/dbraw/zinc/75/74/83/357757483.db2.gz XTMGUBIVIAKQMU-CABZTGNLSA-N 1 0 308.313 1.950 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H](O)[C@H]1CCCO1 ZINC000599067277 357806926 /nfs/dbraw/zinc/80/69/26/357806926.db2.gz YRUNIZCAOYPHDX-ZLKJLUDKSA-N 1 0 310.350 1.794 20 5 DDBDRO COC(=O)c1cc(C)nc(N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)c1[N+](=O)[O-] ZINC000599082242 357809841 /nfs/dbraw/zinc/80/98/41/357809841.db2.gz ACIAKWSFEFUGHZ-GDNZZTSVSA-N 1 0 320.349 1.081 20 5 DDBDRO Cn1cc(CC[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)nn1 ZINC000599333898 357897714 /nfs/dbraw/zinc/89/77/14/357897714.db2.gz BMHSWZKTGYKOGE-UHFFFAOYSA-N 1 0 301.350 1.930 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000599603206 357990131 /nfs/dbraw/zinc/99/01/31/357990131.db2.gz CCCPFFATTVAUGQ-GXSJLCMTSA-N 1 0 308.338 1.865 20 5 DDBDRO C/C=C/C[C@@H]1CCC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000599689904 358027141 /nfs/dbraw/zinc/02/71/41/358027141.db2.gz LLRZMWMUWOUTCZ-MZSZDEQASA-N 1 0 308.382 1.830 20 5 DDBDRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)COc3cccc([N+](=O)[O-])c3)C[C@@H]12 ZINC000185067944 199804695 /nfs/dbraw/zinc/80/46/95/199804695.db2.gz SKBVMJARGUXAIV-LERXQTSPSA-N 1 0 305.334 1.169 20 5 DDBDRO CCOc1ccc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)cc1[N+](=O)[O-] ZINC000599988801 358097166 /nfs/dbraw/zinc/09/71/66/358097166.db2.gz MQHCWBMWCBYFNQ-JYAVWHMHSA-N 1 0 319.361 1.626 20 5 DDBDRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)CSc3ccc([N+](=O)[O-])cc3)C[C@@H]12 ZINC000185153082 199817063 /nfs/dbraw/zinc/81/70/63/199817063.db2.gz JGNMCQXSXSFUFS-LERXQTSPSA-N 1 0 321.402 1.883 20 5 DDBDRO C[N@@H+]1CCCC[C@H](CNC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000600313120 358193435 /nfs/dbraw/zinc/19/34/35/358193435.db2.gz HXEYEHYAIFVWLX-GFCCVEGCSA-N 1 0 309.370 1.030 20 5 DDBDRO O=[N+]([O-])c1ccc(OC(F)F)c(CNC[C@@H]2COCC[NH2+]2)c1 ZINC000600677248 358280360 /nfs/dbraw/zinc/28/03/60/358280360.db2.gz CWZAPKYVJPKINT-SNVBAGLBSA-N 1 0 317.292 1.274 20 5 DDBDRO CC(C)(C)[C@@H](CO)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000180636198 199188416 /nfs/dbraw/zinc/18/84/16/199188416.db2.gz ZLCKTHVAHYCKNB-TZMCWYRMSA-N 1 0 312.366 1.331 20 5 DDBDRO COC(=O)c1cnc(N[C@H]2CC[N@@H+]3CCCC[C@H]23)c([N+](=O)[O-])c1 ZINC000276627922 213008996 /nfs/dbraw/zinc/00/89/96/213008996.db2.gz VRYGDUKREGRVPS-NWDGAFQWSA-N 1 0 320.349 1.815 20 5 DDBDRO C[NH2+]CCn1cc(-c2cc(C(=O)OC)cc([N+](=O)[O-])c2)cn1 ZINC000600788464 358314503 /nfs/dbraw/zinc/31/45/03/358314503.db2.gz MPXCUFTVKROEIV-UHFFFAOYSA-N 1 0 304.306 1.464 20 5 DDBDRO CC[NH+]1CCN([C@@H](C)CNc2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000601105311 358403605 /nfs/dbraw/zinc/40/36/05/358403605.db2.gz ZJGFONCONZHBPS-NSHDSACASA-N 1 0 311.361 1.567 20 5 DDBDRO C[C@@H](CN(C)CCC[NH+](C)C)Nc1ncc(F)cc1[N+](=O)[O-] ZINC000601191190 358440659 /nfs/dbraw/zinc/44/06/59/358440659.db2.gz JZYNVPRVGYUCIL-NSHDSACASA-N 1 0 313.377 1.813 20 5 DDBDRO C[C@@](O)(C[C@H](O)C[NH2+]CCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000601957262 358752945 /nfs/dbraw/zinc/75/29/45/358752945.db2.gz UXXCMWSILUOECM-JKSUJKDBSA-N 1 0 308.378 1.639 20 5 DDBDRO CCOc1ccc(C(=O)N[C@]23CCC[C@@H]2C[NH2+]C3)cc1[N+](=O)[O-] ZINC000601975306 358762134 /nfs/dbraw/zinc/76/21/34/358762134.db2.gz NITANWSANRFBEV-WBMJQRKESA-N 1 0 319.361 1.865 20 5 DDBDRO CC(C)[C@@H]1C[NH2+]CCN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000602530694 359030094 /nfs/dbraw/zinc/03/00/94/359030094.db2.gz SCDYAQFAGRAUQF-AWEZNQCLSA-N 1 0 307.350 1.430 20 5 DDBDRO COc1ccc(CC(=O)N2CC[NH2+]C[C@H]2C(C)C)cc1[N+](=O)[O-] ZINC000602530987 359030168 /nfs/dbraw/zinc/03/01/68/359030168.db2.gz UNJOTKKKRRWBDB-AWEZNQCLSA-N 1 0 321.377 1.602 20 5 DDBDRO COc1cc(C(=O)N[C@@H]2CC[NH2+]C23CCC3)ccc1[N+](=O)[O-] ZINC000602533645 359031683 /nfs/dbraw/zinc/03/16/83/359031683.db2.gz POFXGCLVFICIEK-CYBMUJFWSA-N 1 0 305.334 1.618 20 5 DDBDRO COc1ccc(CC(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)cc1[N+](=O)[O-] ZINC000602553364 359042263 /nfs/dbraw/zinc/04/22/63/359042263.db2.gz JUDCVXNBFFWJGX-CMPLNLGQSA-N 1 0 307.350 1.403 20 5 DDBDRO [NH3+]C[C@H]1CN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CCO1 ZINC000602485549 359009514 /nfs/dbraw/zinc/00/95/14/359009514.db2.gz NEJDQVCNWPOFIF-AWEZNQCLSA-N 1 0 319.361 1.203 20 5 DDBDRO O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000602605140 359068783 /nfs/dbraw/zinc/06/87/83/359068783.db2.gz UZVHVRLKYKULSP-QMTHXVAHSA-N 1 0 307.325 1.948 20 5 DDBDRO CC1(C)[C@H](O)C[C@@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602620238 359078422 /nfs/dbraw/zinc/07/84/22/359078422.db2.gz AAPVKGQMYUWFNR-UONOGXRCSA-N 1 0 320.393 1.708 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]3CCCC[C@@H]3O)CC2)cn1 ZINC000602624275 359081059 /nfs/dbraw/zinc/08/10/59/359081059.db2.gz LMYOFRXIUDOZDE-GJZGRUSLSA-N 1 0 320.393 1.852 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCCCCO)CC2)cn1 ZINC000602642612 359093683 /nfs/dbraw/zinc/09/36/83/359093683.db2.gz DAMJYWHNXWWPFI-UHFFFAOYSA-N 1 0 308.382 1.711 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@H](O)C3CC3)CC2)cn1 ZINC000602655181 359103979 /nfs/dbraw/zinc/10/39/79/359103979.db2.gz FIADYGYGIFATAX-AWEZNQCLSA-N 1 0 306.366 1.319 20 5 DDBDRO CC(C)(C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc([N+](=O)[O-])cc1 ZINC000602588883 359058138 /nfs/dbraw/zinc/05/81/38/359058138.db2.gz BEGCFERFRMXIKI-BETUJISGSA-N 1 0 303.362 1.835 20 5 DDBDRO CCC[C@H](C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1)OC ZINC000602687316 359126280 /nfs/dbraw/zinc/12/62/80/359126280.db2.gz KPKYTVPOMKRUKI-CYBMUJFWSA-N 1 0 308.382 1.927 20 5 DDBDRO COC(=O)[C@H]1CCCC[C@]1(C)[NH2+]Cc1cn(C)nc1[N+](=O)[O-] ZINC000602795106 359197380 /nfs/dbraw/zinc/19/73/80/359197380.db2.gz LIYBLNCIPSKAOQ-RISCZKNCSA-N 1 0 310.354 1.540 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000602795321 359198258 /nfs/dbraw/zinc/19/82/58/359198258.db2.gz HUHOLHMXOWNHJD-TZMCWYRMSA-N 1 0 318.381 1.879 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000602796884 359199488 /nfs/dbraw/zinc/19/94/88/359199488.db2.gz ALCHBFJFLALGSF-KBPBESRZSA-N 1 0 308.382 1.848 20 5 DDBDRO C[C@H](c1ccccc1[N+](=O)[O-])n1cc(CSCC[NH3+])nn1 ZINC000603220390 359491516 /nfs/dbraw/zinc/49/15/16/359491516.db2.gz UGSWSUVFKCOUHW-SNVBAGLBSA-N 1 0 307.379 1.988 20 5 DDBDRO Cc1c(C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000186835491 200019395 /nfs/dbraw/zinc/01/93/95/200019395.db2.gz KDGZSJCNVXEWGA-PRHODGIISA-N 1 0 322.321 1.539 20 5 DDBDRO C[N@H+](CCn1ccc(N)c([N+](=O)[O-])c1=O)Cc1ccccc1 ZINC000603419831 359629406 /nfs/dbraw/zinc/62/94/06/359629406.db2.gz AVPVZOHORCTNBO-UHFFFAOYSA-N 1 0 302.334 1.471 20 5 DDBDRO C[NH+](C)C(C)(C)CNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000281010677 216020667 /nfs/dbraw/zinc/02/06/67/216020667.db2.gz QVAXIURARKKSHG-UHFFFAOYSA-N 1 0 305.338 1.996 20 5 DDBDRO CC[C@H](C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)[NH+](C)C ZINC000188502316 200256971 /nfs/dbraw/zinc/25/69/71/200256971.db2.gz UFBHKMOMDQQITG-CQSZACIVSA-N 1 0 307.350 1.525 20 5 DDBDRO COCC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C1CCCC1 ZINC000611185703 360653422 /nfs/dbraw/zinc/65/34/22/360653422.db2.gz OJDAFRHPBZXCPS-UHFFFAOYSA-N 1 0 309.366 1.648 20 5 DDBDRO CC[N@@H+]1CCN(C(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)C[C@H]1C ZINC000611087359 360619074 /nfs/dbraw/zinc/61/90/74/360619074.db2.gz BOJVPDDJSCYCCG-GFCCVEGCSA-N 1 0 321.377 1.699 20 5 DDBDRO CC[N@@H+]1CCN([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000611092300 360621359 /nfs/dbraw/zinc/62/13/59/360621359.db2.gz ODQPXSBFMFBKHQ-QWHCGFSZSA-N 1 0 320.393 1.948 20 5 DDBDRO C[C@@H](O)C[NH+]1CCN(c2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000611709296 360800892 /nfs/dbraw/zinc/80/08/92/360800892.db2.gz HEMKCBCNCDMAOK-LLVKDONJSA-N 1 0 317.349 1.041 20 5 DDBDRO C[C@@H]([NH3+])[C@@H]1CCCCN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000063193849 296024557 /nfs/dbraw/zinc/02/45/57/296024557.db2.gz NXINKIYKZVQAEM-MNOVXSKESA-N 1 0 313.379 1.485 20 5 DDBDRO C[C@@H](CCNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000193960354 201152886 /nfs/dbraw/zinc/15/28/86/201152886.db2.gz BVLNAZXOCHRMLL-NSHDSACASA-N 1 0 322.365 1.690 20 5 DDBDRO C[NH+](C)C[C@]1(O)CCCN(C(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000618923313 363802339 /nfs/dbraw/zinc/80/23/39/363802339.db2.gz DVHVKMDSEWHSOP-MRXNPFEDSA-N 1 0 321.377 1.052 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000618923769 363804002 /nfs/dbraw/zinc/80/40/02/363804002.db2.gz KZPWZJGQZXZVBP-MRXNPFEDSA-N 1 0 321.377 1.432 20 5 DDBDRO CC[C@H]1C[N@H+](C)CCCN1C(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000619578851 364070698 /nfs/dbraw/zinc/07/06/98/364070698.db2.gz SAORSRHOXZELHL-NSHDSACASA-N 1 0 309.370 1.193 20 5 DDBDRO Cc1c(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)cnn1C ZINC000566111200 304119174 /nfs/dbraw/zinc/11/91/74/304119174.db2.gz ADYUSBKMKMCMPR-CQSZACIVSA-N 1 0 320.349 1.166 20 5 DDBDRO CN(CC(=O)N1CCC[C@@H](CC[NH3+])C1)c1ccccc1[N+](=O)[O-] ZINC000281982775 216676157 /nfs/dbraw/zinc/67/61/57/216676157.db2.gz OVNPOLHMLGGRJQ-ZDUSSCGKSA-N 1 0 320.393 1.618 20 5 DDBDRO C[C@H](CC[NH3+])NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000349936434 284111127 /nfs/dbraw/zinc/11/11/27/284111127.db2.gz LRMOTGUKDLEQOE-SNVBAGLBSA-N 1 0 303.322 1.248 20 5 DDBDRO CN1CCC[C@H]1C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000579465040 422771799 /nfs/dbraw/zinc/77/17/99/422771799.db2.gz HMVJNDGIOJLSLW-KBPBESRZSA-N 1 0 309.366 1.018 20 5 DDBDRO COc1ccc(C(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000261953413 203160333 /nfs/dbraw/zinc/16/03/33/203160333.db2.gz NKIXDSJBVMKDKW-ZYHUDNBSSA-N 1 0 307.350 1.721 20 5 DDBDRO COCC(=O)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000349975575 284124592 /nfs/dbraw/zinc/12/45/92/284124592.db2.gz YCIPSYFBENLCLW-UHFFFAOYSA-N 1 0 321.377 1.630 20 5 DDBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359297656 299401955 /nfs/dbraw/zinc/40/19/55/299401955.db2.gz DYPISXUQMGDSJI-SDDRHHMPSA-N 1 0 304.350 1.073 20 5 DDBDRO COc1cc(C(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000262351733 203270019 /nfs/dbraw/zinc/27/00/19/203270019.db2.gz VGGVBJGMGLGCAT-ZYHUDNBSSA-N 1 0 307.350 1.721 20 5 DDBDRO COCC1(CNC(=O)c2ccccc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000262557457 203328403 /nfs/dbraw/zinc/32/84/03/203328403.db2.gz UNVOOJNLLVEOLZ-UHFFFAOYSA-N 1 0 307.350 1.341 20 5 DDBDRO COc1ccc(C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1[N+](=O)[O-] ZINC000262580486 203338355 /nfs/dbraw/zinc/33/83/55/203338355.db2.gz YVWBGJHULNHREQ-RYUDHWBXSA-N 1 0 305.334 1.427 20 5 DDBDRO O=[N+]([O-])c1ccc(C[NH2+]CCC2CCS(=O)(=O)CC2)cc1 ZINC000350744119 284252920 /nfs/dbraw/zinc/25/29/20/284252920.db2.gz IKHYGFROOIVMCI-UHFFFAOYSA-N 1 0 312.391 1.899 20 5 DDBDRO O=C(CCn1cc([N+](=O)[O-])cn1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000264659543 204060349 /nfs/dbraw/zinc/06/03/49/204060349.db2.gz YNARHBKMRQBJGD-ZDUSSCGKSA-N 1 0 321.381 1.268 20 5 DDBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cccc([N+](=O)[O-])c1N ZINC000288249808 220043237 /nfs/dbraw/zinc/04/32/37/220043237.db2.gz GASRUOKISFDXLR-NWDGAFQWSA-N 1 0 318.377 1.876 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCCCN2CC[NH+](C)CC2)c1 ZINC000266012910 205026291 /nfs/dbraw/zinc/02/62/91/205026291.db2.gz IBYJCVBWDFYQOA-UHFFFAOYSA-N 1 0 320.393 1.271 20 5 DDBDRO CC[N@@H+]1CCN(C(=O)CCn2nc(C)c([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC000288317845 220081480 /nfs/dbraw/zinc/08/14/80/220081480.db2.gz HUTIERCHTYGXCI-NSHDSACASA-N 1 0 323.397 1.351 20 5 DDBDRO C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCc2ccccc21 ZINC000266419197 205333411 /nfs/dbraw/zinc/33/34/11/205333411.db2.gz IKDZKBBSJWMWAF-GDBMZVCRSA-N 1 0 316.361 1.772 20 5 DDBDRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000266464772 205366505 /nfs/dbraw/zinc/36/65/05/205366505.db2.gz ANTVJYIWWLQXLU-GHMZBOCLSA-N 1 0 307.354 1.325 20 5 DDBDRO CCc1n[nH]c(C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000288490008 220174851 /nfs/dbraw/zinc/17/48/51/220174851.db2.gz ROIRPQDEJWBKOD-QWRGUYRKSA-N 1 0 321.381 1.579 20 5 DDBDRO CC(C)Oc1nc(N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000566747420 304178759 /nfs/dbraw/zinc/17/87/59/304178759.db2.gz IFBVRYVHSXXVMH-WCQYABFASA-N 1 0 306.366 1.917 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@H]2CCCC[C@@H]2OC(F)F)c1 ZINC000337405674 249479650 /nfs/dbraw/zinc/47/96/50/249479650.db2.gz LRZPTENFRDZEAF-MNOVXSKESA-N 1 0 304.297 1.931 20 5 DDBDRO Cc1c(CN2CCO[C@@H]3CC[N@@H+](C)C[C@@H]32)cccc1[N+](=O)[O-] ZINC000284471389 218040584 /nfs/dbraw/zinc/04/05/84/218040584.db2.gz AGLHBCNXDNPPAF-JKSUJKDBSA-N 1 0 305.378 1.808 20 5 DDBDRO Cc1cc(C(=O)NCCC2CC[NH+](C)CC2)c(N)c([N+](=O)[O-])c1 ZINC000104877916 194049540 /nfs/dbraw/zinc/04/95/40/194049540.db2.gz YSJHKGXXGKQGKG-UHFFFAOYSA-N 1 0 320.393 1.947 20 5 DDBDRO COc1ccc(C[NH2+]C[C@H]2CN(C3CC3)CCO2)cc1[N+](=O)[O-] ZINC000106470082 194218279 /nfs/dbraw/zinc/21/82/79/194218279.db2.gz FVXRIDJRRDJBIX-AWEZNQCLSA-N 1 0 321.377 1.556 20 5 DDBDRO CSc1ccc(C(=O)NC[C@H]2CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000110653769 194346983 /nfs/dbraw/zinc/34/69/83/194346983.db2.gz VGIDGPZWWIGNEB-SNVBAGLBSA-N 1 0 309.391 1.998 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000055539532 183990451 /nfs/dbraw/zinc/99/04/51/183990451.db2.gz UNOZHHBIJXHMIZ-LLVKDONJSA-N 1 0 306.366 1.760 20 5 DDBDRO Cc1nn(C)c(C(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)c1[N+](=O)[O-] ZINC000341066156 251364607 /nfs/dbraw/zinc/36/46/07/251364607.db2.gz JNKQKMVXKGHYPJ-QWRGUYRKSA-N 1 0 323.397 1.629 20 5 DDBDRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000341106285 251384433 /nfs/dbraw/zinc/38/44/33/251384433.db2.gz WKAZQVMWPSDXQI-RYUDHWBXSA-N 1 0 306.366 1.321 20 5 DDBDRO Cc1c(NC(=O)[C@H](C)[NH2+]CCn2cccn2)cccc1[N+](=O)[O-] ZINC000112548228 194483531 /nfs/dbraw/zinc/48/35/31/194483531.db2.gz ZPGRFFFZNMNZAL-LBPRGKRZSA-N 1 0 317.349 1.717 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC000269173841 207295401 /nfs/dbraw/zinc/29/54/01/207295401.db2.gz HXNUHVJGERPXEM-AWEZNQCLSA-N 1 0 309.366 1.806 20 5 DDBDRO Cc1ccc(C)c(S(=O)(=O)N(C)CCC[NH3+])c1[N+](=O)[O-] ZINC000567851071 304247863 /nfs/dbraw/zinc/24/78/63/304247863.db2.gz DPDQLCWEVKAQPF-UHFFFAOYSA-N 1 0 301.368 1.181 20 5 DDBDRO CN(C(=O)C[N@H+](CCO)CC1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000352464933 285069956 /nfs/dbraw/zinc/06/99/56/285069956.db2.gz ZDIYOFUWLUYTJO-UHFFFAOYSA-N 1 0 307.350 1.262 20 5 DDBDRO C[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccc([S@](C)=O)cc1 ZINC000273021390 210401382 /nfs/dbraw/zinc/40/13/82/210401382.db2.gz SDAHYZZNKSPAQE-SAHAZLINSA-N 1 0 322.390 1.880 20 5 DDBDRO [NH3+]C[C@H]1CCC[C@H]1NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000157648944 197204872 /nfs/dbraw/zinc/20/48/72/197204872.db2.gz VWIVDVULCOCREJ-VXGBXAGGSA-N 1 0 306.366 1.640 20 5 DDBDRO COC[C@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000452078492 533134227 /nfs/dbraw/zinc/13/42/27/533134227.db2.gz DPBIPMVMPCERNM-ZDUSSCGKSA-N 1 0 309.366 1.505 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000430927409 533138353 /nfs/dbraw/zinc/13/83/53/533138353.db2.gz QKVINQKTRMKWJZ-CMPLNLGQSA-N 1 0 322.365 1.211 20 5 DDBDRO C[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCC[C@@H]1O ZINC000352657093 285201340 /nfs/dbraw/zinc/20/13/40/285201340.db2.gz FAMUJIGAQJNBMP-SCRDCRAPSA-N 1 0 310.350 1.180 20 5 DDBDRO C[N@@H+]([C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)[C@H]1CCC[C@H]1O ZINC000352668261 285211085 /nfs/dbraw/zinc/21/10/85/285211085.db2.gz QQJFICOFDACSCV-RRFJBIMHSA-N 1 0 319.361 1.545 20 5 DDBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](c2nc(=O)[nH][nH]2)C1 ZINC000289487175 221011786 /nfs/dbraw/zinc/01/17/86/221011786.db2.gz SGSYDSXLJWGPLF-WDEREUQCSA-N 1 0 317.349 1.947 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)C12CCC[NH+]1CCC2 ZINC000289591132 221088475 /nfs/dbraw/zinc/08/84/75/221088475.db2.gz NDLJCHFCJQYZIM-UHFFFAOYSA-N 1 0 319.361 1.848 20 5 DDBDRO O=C(C[NH2+][C@@H](CO)C1CCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000289597154 221093193 /nfs/dbraw/zinc/09/31/93/221093193.db2.gz RGRSBXDJZJVOSF-ZDUSSCGKSA-N 1 0 307.350 1.674 20 5 DDBDRO C[C@@H]1C[C@@H](NC(=O)NCCc2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000417949086 533622492 /nfs/dbraw/zinc/62/24/92/533622492.db2.gz UUWWHISDHBOVIW-YPMHNXCESA-N 1 0 306.366 1.577 20 5 DDBDRO COc1ccc(CNC(=O)N[C@H]2CC[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000417177975 533633783 /nfs/dbraw/zinc/63/37/83/533633783.db2.gz DFGOMBXRELFVBI-JQWIXIFHSA-N 1 0 322.365 1.530 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000361077414 299798776 /nfs/dbraw/zinc/79/87/76/299798776.db2.gz BELQKTPWSYPYEU-JSGCOSHPSA-N 1 0 319.361 1.721 20 5 DDBDRO CCc1cnccc1[C@H](C)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000361133265 299805350 /nfs/dbraw/zinc/80/53/50/299805350.db2.gz VYKSQWKOBJGQFY-SMDDNHRTSA-N 1 0 319.365 1.460 20 5 DDBDRO O=C(COc1ccccc1[N+](=O)[O-])NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000075848992 406943020 /nfs/dbraw/zinc/94/30/20/406943020.db2.gz KJGXXGOMSHIQDM-LBPRGKRZSA-N 1 0 319.361 1.574 20 5 DDBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NC[C@@H]1CCC[NH2+]1 ZINC000053254412 407165032 /nfs/dbraw/zinc/16/50/32/407165032.db2.gz WCBICELUQZQFPO-VIFPVBQESA-N 1 0 319.770 1.279 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC[C@@H]2CCC[NH2+]2)c1C ZINC000053254408 407165852 /nfs/dbraw/zinc/16/58/52/407165852.db2.gz JMRNSXWKKRADQJ-NSHDSACASA-N 1 0 313.379 1.242 20 5 DDBDRO CN(CCn1cc([N+](=O)[O-])ccc1=O)C[C@H]1CCC[N@H+](C)C1 ZINC000090550397 407170117 /nfs/dbraw/zinc/17/01/17/407170117.db2.gz YGDDNLZMJVOZLN-ZDUSSCGKSA-N 1 0 308.382 1.030 20 5 DDBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000055407960 407203175 /nfs/dbraw/zinc/20/31/75/407203175.db2.gz XOGZHPKFVRGPIG-NWDGAFQWSA-N 1 0 309.370 1.028 20 5 DDBDRO CC[NH+]1CCN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000057567497 407216184 /nfs/dbraw/zinc/21/61/84/407216184.db2.gz CSYJFAUVUGWFQM-GFCCVEGCSA-N 1 0 306.366 1.559 20 5 DDBDRO CN(C1CC[NH2+]CC1)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000123093059 407319015 /nfs/dbraw/zinc/31/90/15/407319015.db2.gz OCCVNEGDPONJOM-UHFFFAOYSA-N 1 0 317.342 1.106 20 5 DDBDRO CN(CC[NH+]1CCCC1)C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000103118460 407331793 /nfs/dbraw/zinc/33/17/93/407331793.db2.gz DDFQHMWXOPINEH-UHFFFAOYSA-N 1 0 320.393 1.951 20 5 DDBDRO CC(C)[NH+]1CCC(NC(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000124703468 407367533 /nfs/dbraw/zinc/36/75/33/407367533.db2.gz ACSOBPUHBIAWKC-UHFFFAOYSA-N 1 0 307.354 1.984 20 5 DDBDRO CC[N@@H+]1CC[C@@H](CNC(=O)c2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000107891945 407381269 /nfs/dbraw/zinc/38/12/69/407381269.db2.gz LGVYELJWZIYYQS-NSHDSACASA-N 1 0 307.350 1.675 20 5 DDBDRO CC[NH+]1CCC(N(C)C(=O)Cn2cc([N+](=O)[O-])nc2C)CC1 ZINC000128076946 407494252 /nfs/dbraw/zinc/49/42/52/407494252.db2.gz SESDVIUTIBPWBF-UHFFFAOYSA-N 1 0 309.370 1.042 20 5 DDBDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000185802875 407508849 /nfs/dbraw/zinc/50/88/49/407508849.db2.gz JHLOCUNSEWBDMT-WDEREUQCSA-N 1 0 308.338 1.298 20 5 DDBDRO COc1cc(C(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)cc([N+](=O)[O-])c1OC ZINC000261620143 407553073 /nfs/dbraw/zinc/55/30/73/407553073.db2.gz BTNQEQBZLJABIG-VHSXEESVSA-N 1 0 323.349 1.421 20 5 DDBDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000271177868 407556123 /nfs/dbraw/zinc/55/61/23/407556123.db2.gz YEXPEKQAYFVDTO-LLVKDONJSA-N 1 0 309.370 1.179 20 5 DDBDRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000266464778 407540002 /nfs/dbraw/zinc/54/00/02/407540002.db2.gz ANTVJYIWWLQXLU-QWRGUYRKSA-N 1 0 307.354 1.325 20 5 DDBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCC[NH+](C)C ZINC000129614222 407619059 /nfs/dbraw/zinc/61/90/59/407619059.db2.gz MIDXNFGOOPPLQI-VIFPVBQESA-N 1 0 315.757 1.693 20 5 DDBDRO CCCN(C(=O)CNc1ccccc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000178916281 407655088 /nfs/dbraw/zinc/65/50/88/407655088.db2.gz FUKGDIHEVIXBCU-LBPRGKRZSA-N 1 0 306.366 1.607 20 5 DDBDRO C[NH2+]C[C@H]1CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000179005602 407687692 /nfs/dbraw/zinc/68/76/92/407687692.db2.gz ITQFIFJODLVINR-CYBMUJFWSA-N 1 0 320.393 1.855 20 5 DDBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](CCn3ccnc3)C2)nc1 ZINC000131883847 407756044 /nfs/dbraw/zinc/75/60/44/407756044.db2.gz WXNDUIAWACCLGF-GFCCVEGCSA-N 1 0 302.338 1.373 20 5 DDBDRO CN(CC[N@H+](C)C1CC1)C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000186725914 407756948 /nfs/dbraw/zinc/75/69/48/407756948.db2.gz CDFAUYPTDDIWFH-UHFFFAOYSA-N 1 0 321.333 1.490 20 5 DDBDRO C[NH+](C)[C@]1(CNC(=O)c2ccc([N+](=O)[O-])s2)CCSC1 ZINC000267085558 407741957 /nfs/dbraw/zinc/74/19/57/407741957.db2.gz HJWFBYNBZHXAHA-LBPRGKRZSA-N 1 0 315.420 1.823 20 5 DDBDRO CC(C)(NC(=O)C[NH2+]C[C@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000236660386 407742424 /nfs/dbraw/zinc/74/24/24/407742424.db2.gz PZHMXMZEQWWKSP-CQSZACIVSA-N 1 0 321.377 1.715 20 5 DDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000179259060 407762769 /nfs/dbraw/zinc/76/27/69/407762769.db2.gz QLSVBUGEHUCIQH-CYBMUJFWSA-N 1 0 323.418 1.991 20 5 DDBDRO CN(CC(=O)NC[C@H]1CCCC[NH2+]1)c1ccccc1[N+](=O)[O-] ZINC000237065076 407792216 /nfs/dbraw/zinc/79/22/16/407792216.db2.gz HFGJZIHMXMFBKJ-GFCCVEGCSA-N 1 0 306.366 1.289 20 5 DDBDRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000237441407 407818255 /nfs/dbraw/zinc/81/82/55/407818255.db2.gz TVDXZADYHAEZKR-ZANVPECISA-N 1 0 317.349 1.813 20 5 DDBDRO C[NH2+]C[C@@H](C)CNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000133224170 407826338 /nfs/dbraw/zinc/82/63/38/407826338.db2.gz FTTFEXOUKZGMRE-SECBINFHSA-N 1 0 301.368 1.037 20 5 DDBDRO C[N@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)[C@H]1CCOC1 ZINC000117340444 407831834 /nfs/dbraw/zinc/83/18/34/407831834.db2.gz UCNYGTYKZYFNSY-LBPRGKRZSA-N 1 0 321.333 1.614 20 5 DDBDRO C[C@H]1CCCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])[C@@H]1C[NH3+] ZINC000237693450 407835947 /nfs/dbraw/zinc/83/59/47/407835947.db2.gz JWVFCLCOXLZJAS-SWLSCSKDSA-N 1 0 320.393 1.617 20 5 DDBDRO CCOc1ccc(C(=O)N2CCC[C@H]([NH2+]C)C2)cc1[N+](=O)[O-] ZINC000133536926 407856858 /nfs/dbraw/zinc/85/68/58/407856858.db2.gz YBQMIWVJEVDWRM-LBPRGKRZSA-N 1 0 307.350 1.818 20 5 DDBDRO CN(CC[NH+](C)C)C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272321045 407865429 /nfs/dbraw/zinc/86/54/29/407865429.db2.gz JSHSKCJQEPBDMC-UHFFFAOYSA-N 1 0 301.293 1.707 20 5 DDBDRO [NH3+]CCCCNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000238019353 407868986 /nfs/dbraw/zinc/86/89/86/407868986.db2.gz VXCOGUNJXQJJRS-UHFFFAOYSA-N 1 0 315.757 1.872 20 5 DDBDRO [NH3+]C[C@@H]1CCCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000238058459 407882270 /nfs/dbraw/zinc/88/22/70/407882270.db2.gz QAWFAWNCHYZDBL-ZDUSSCGKSA-N 1 0 320.393 1.984 20 5 DDBDRO O=C(C[C@H]1CSCC[NH2+]1)NCCc1ccccc1[N+](=O)[O-] ZINC000238087658 407885944 /nfs/dbraw/zinc/88/59/44/407885944.db2.gz FFWXUYXMLMOUTR-LBPRGKRZSA-N 1 0 309.391 1.349 20 5 DDBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000268233461 407960672 /nfs/dbraw/zinc/96/06/72/407960672.db2.gz SPFXCJDDDMBGAL-FZMZJTMJSA-N 1 0 318.377 1.606 20 5 DDBDRO C[C@@H]1C[C@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000262876057 407961193 /nfs/dbraw/zinc/96/11/93/407961193.db2.gz MWRMMWOAIQMUNM-VXGBXAGGSA-N 1 0 307.350 1.620 20 5 DDBDRO C[C@@H]1CN(C(=O)CCOc2ccccc2[N+](=O)[O-])[C@H](C)C[NH2+]1 ZINC000272548235 407975417 /nfs/dbraw/zinc/97/54/17/407975417.db2.gz KLNPVQDSCIRHCM-VXGBXAGGSA-N 1 0 307.350 1.573 20 5 DDBDRO CC[C@H](CSC)[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000245592727 408021270 /nfs/dbraw/zinc/02/12/70/408021270.db2.gz LXXCGKVFGDGFLH-ZYHUDNBSSA-N 1 0 302.400 1.226 20 5 DDBDRO Cc1c(C[NH2+][C@H](CC(N)=O)C2CCOCC2)cccc1[N+](=O)[O-] ZINC000181952675 408057085 /nfs/dbraw/zinc/05/70/85/408057085.db2.gz KZKLQXFHOUDSOW-CQSZACIVSA-N 1 0 321.377 1.663 20 5 DDBDRO CN(CCC[NH+](C)C)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000181989470 408062161 /nfs/dbraw/zinc/06/21/61/408062161.db2.gz SXHAALQCZYKEOL-UHFFFAOYSA-N 1 0 305.338 1.495 20 5 DDBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)CC1(O)CCOCC1 ZINC000189763240 408100678 /nfs/dbraw/zinc/10/06/78/408100678.db2.gz IRAYVXOATOCLPH-UHFFFAOYSA-N 1 0 310.350 1.447 20 5 DDBDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000182433728 408157049 /nfs/dbraw/zinc/15/70/49/408157049.db2.gz BTVMGJWGWAAJNK-TZMCWYRMSA-N 1 0 324.377 1.739 20 5 DDBDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000269284687 408252607 /nfs/dbraw/zinc/25/26/07/408252607.db2.gz MXPBYTSBNKWDRY-ZIAGYGMSSA-N 1 0 305.334 1.657 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)C[C@@H]1CCN(C(C)=O)C1 ZINC000156523109 408264158 /nfs/dbraw/zinc/26/41/58/408264158.db2.gz CXHYPRISOWDQAD-ZDUSSCGKSA-N 1 0 321.377 1.904 20 5 DDBDRO C[NH+](C)[C@@H]1CCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000263961455 408329426 /nfs/dbraw/zinc/32/94/26/408329426.db2.gz AKPIKZDHQNECBE-LLVKDONJSA-N 1 0 302.334 1.852 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000269333256 408274093 /nfs/dbraw/zinc/27/40/93/408274093.db2.gz AUCGKSRMPUCEEX-QWRGUYRKSA-N 1 0 323.397 1.900 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000246627074 408307394 /nfs/dbraw/zinc/30/73/94/408307394.db2.gz AQCXSAHEEAAVIC-KOLCDFICSA-N 1 0 322.287 1.427 20 5 DDBDRO COc1ccc(C(=O)N2CCC[C@H]2C[NH+](C)C)cc1[N+](=O)[O-] ZINC000263909279 408308887 /nfs/dbraw/zinc/30/88/87/408308887.db2.gz IYHNGKPUPVMERG-LBPRGKRZSA-N 1 0 307.350 1.770 20 5 DDBDRO C[NH+](C)[C@@H]1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000264030246 408349048 /nfs/dbraw/zinc/34/90/48/408349048.db2.gz RYTZDPNNIDMOCS-SNVBAGLBSA-N 1 0 313.379 1.139 20 5 DDBDRO NC(=O)c1ccc(C[N@@H+]2CC[C@H]3OCCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000246838140 408350471 /nfs/dbraw/zinc/35/04/71/408350471.db2.gz SUENZZMPOSULBG-DZGCQCFKSA-N 1 0 319.361 1.695 20 5 DDBDRO C[NH+](C)[C@H]1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000170867473 162196789 /nfs/dbraw/zinc/19/67/89/162196789.db2.gz ICOINSSJNGBAEL-JTQLQIEISA-N 1 0 303.322 1.247 20 5 DDBDRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000173118753 162322399 /nfs/dbraw/zinc/32/23/99/162322399.db2.gz VZKKAUQMUWBCIL-HNNXBMFYSA-N 1 0 305.378 1.936 20 5 DDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000173446211 162339219 /nfs/dbraw/zinc/33/92/19/162339219.db2.gz OPMLIPDBJWWVIX-OAHLLOKOSA-N 1 0 303.362 1.834 20 5 DDBDRO C[C@@H]1CC(O)C[C@@H](C)[NH+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000191190321 408383756 /nfs/dbraw/zinc/38/37/56/408383756.db2.gz ARTFGOJESFOSBV-BZPMIXESSA-N 1 0 324.377 1.568 20 5 DDBDRO Cc1c(CN2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000247080535 408403049 /nfs/dbraw/zinc/40/30/49/408403049.db2.gz HAKDHCBKAAFMLC-QWHCGFSZSA-N 1 0 307.394 1.790 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](CCO)C(C)C ZINC000177032494 408500043 /nfs/dbraw/zinc/50/00/43/408500043.db2.gz QBGIOHCKMIWCRC-UHFFFAOYSA-N 1 0 309.366 1.935 20 5 DDBDRO COc1cc(C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000177094036 408516594 /nfs/dbraw/zinc/51/65/94/408516594.db2.gz IWCMWSZXSGEZSB-CMPLNLGQSA-N 1 0 319.361 1.958 20 5 DDBDRO CC[N@H+](CCO)CCNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000183975307 408523501 /nfs/dbraw/zinc/52/35/01/408523501.db2.gz NJYIIIASKZCLQH-UHFFFAOYSA-N 1 0 315.757 1.292 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000160275439 408468486 /nfs/dbraw/zinc/46/84/86/408468486.db2.gz MYGUREPZZLBXPI-VIFPVBQESA-N 1 0 323.378 1.423 20 5 DDBDRO COc1cc(C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)ccc1[N+](=O)[O-] ZINC000248620042 408600012 /nfs/dbraw/zinc/60/00/12/408600012.db2.gz MUMKBEYOYZSZAO-SRVKXCTJSA-N 1 0 305.334 1.413 20 5 DDBDRO Cc1c(CC(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cccc1[N+](=O)[O-] ZINC000248666322 408613441 /nfs/dbraw/zinc/61/34/41/408613441.db2.gz WOASLLYZPFIJNQ-MELADBBJSA-N 1 0 303.362 1.641 20 5 DDBDRO C[C@@H](CNC(=O)c1nn(C)cc1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000270744240 408662225 /nfs/dbraw/zinc/66/22/25/408662225.db2.gz GRYALYBCFWIFKI-NSHDSACASA-N 1 0 309.370 1.180 20 5 DDBDRO CC[NH+]1CCN(CCNc2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000265479331 408666645 /nfs/dbraw/zinc/66/66/45/408666645.db2.gz CFNQJBRIZBYCIN-UHFFFAOYSA-N 1 0 313.789 1.693 20 5 DDBDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000185247999 408786896 /nfs/dbraw/zinc/78/68/96/408786896.db2.gz LJKCFSJDHWLBPH-UWVGGRQHSA-N 1 0 307.354 1.175 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@](C)(O)C1 ZINC000178003534 408754107 /nfs/dbraw/zinc/75/41/07/408754107.db2.gz KRZAXVZVOADKEB-HNNXBMFYSA-N 1 0 307.350 1.689 20 5 DDBDRO C[N@@H+]1CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])C(C)(C)C1 ZINC000270960227 408760182 /nfs/dbraw/zinc/76/01/82/408760182.db2.gz XNDGUKIVPDXASH-UHFFFAOYSA-N 1 0 321.377 1.916 20 5 DDBDRO C[N@@H+]1CC[C@H]2OCCN(C(=O)c3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000285704953 408847073 /nfs/dbraw/zinc/84/70/73/408847073.db2.gz IYVGSUYMFUFCBY-UONOGXRCSA-N 1 0 305.334 1.140 20 5 DDBDRO C[NH+]1CCC(Nc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CC1 ZINC000291697759 408908650 /nfs/dbraw/zinc/90/86/50/408908650.db2.gz UFAUCQFMBOPDFQ-UHFFFAOYSA-N 1 0 318.377 1.993 20 5 DDBDRO C[NH+](C)C[C@@](C)(O)CNc1c2ccccc2ncc1[N+](=O)[O-] ZINC000291964824 408954239 /nfs/dbraw/zinc/95/42/39/408954239.db2.gz OJWGNJQTFBWAHX-HNNXBMFYSA-N 1 0 304.350 1.868 20 5 DDBDRO C[N@@H+]1CC[C@]2(CCN(C(=O)c3ccc(F)cc3[N+](=O)[O-])C2)C1 ZINC000292058280 408971911 /nfs/dbraw/zinc/97/19/11/408971911.db2.gz APDXXZVHVVEUPZ-HNNXBMFYSA-N 1 0 307.325 1.902 20 5 DDBDRO [NH3+]CC[C@@H]1CCCN(C(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000282044336 408978480 /nfs/dbraw/zinc/97/84/80/408978480.db2.gz UYCRLOAGYKJSIA-LBPRGKRZSA-N 1 0 307.350 1.561 20 5 DDBDRO Cc1cc(N2CCO[C@H]3CC[N@@H+](C)C[C@@H]32)c(F)cc1[N+](=O)[O-] ZINC000292701780 409040198 /nfs/dbraw/zinc/04/01/98/409040198.db2.gz SBOMCNDSZACXGE-GJZGRUSLSA-N 1 0 309.341 1.952 20 5 DDBDRO Cc1ccc(C[NH+](C)C)cc1NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000287621575 409065275 /nfs/dbraw/zinc/06/52/75/409065275.db2.gz SZTKBZBOGTVSBK-UHFFFAOYSA-N 1 0 303.322 1.940 20 5 DDBDRO CC(C)[N@@H+]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000283166131 409102137 /nfs/dbraw/zinc/10/21/37/409102137.db2.gz PEGKEUIDFWGQTA-JTQLQIEISA-N 1 0 324.356 1.919 20 5 DDBDRO Nc1ccc(N2CC[NH+](C3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000288346040 409162090 /nfs/dbraw/zinc/16/20/90/409162090.db2.gz JZNIDIORLSCCIH-UHFFFAOYSA-N 1 0 306.366 1.478 20 5 DDBDRO O=C(C[NH2+][C@@H]1CCC[C@@H]1CCO)Nc1ccccc1[N+](=O)[O-] ZINC000279262735 409180950 /nfs/dbraw/zinc/18/09/50/409180950.db2.gz MLRCYSRFSASAGU-VXGBXAGGSA-N 1 0 307.350 1.674 20 5 DDBDRO C[C@@H]1CN(C(=O)COc2cccc([N+](=O)[O-])c2)C[C@H](C)[N@H+]1C ZINC000294059358 409233398 /nfs/dbraw/zinc/23/33/98/409233398.db2.gz UVRWKSQDRHSDCJ-TXEJJXNPSA-N 1 0 307.350 1.525 20 5 DDBDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000262026867 163751568 /nfs/dbraw/zinc/75/15/68/163751568.db2.gz RXSANMJQXBTPFS-MNOVXSKESA-N 1 0 309.391 1.883 20 5 DDBDRO C[NH2+]CCC1CCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC1 ZINC000262061362 163759979 /nfs/dbraw/zinc/75/99/79/163759979.db2.gz NZIRIMQFTFEXSK-UHFFFAOYSA-N 1 0 323.397 1.375 20 5 DDBDRO CCOc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-] ZINC000262633588 163859658 /nfs/dbraw/zinc/85/96/58/163859658.db2.gz NSFSPXVGVCDFMF-OLZOCXBDSA-N 1 0 319.361 1.960 20 5 DDBDRO COCCOC[C@H](O)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000295194383 409367721 /nfs/dbraw/zinc/36/77/21/409367721.db2.gz LTQMLPHXCKJHAP-GFCCVEGCSA-N 1 0 312.366 1.443 20 5 DDBDRO C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CCN2CCO[C@H]1C2 ZINC000295389149 409460614 /nfs/dbraw/zinc/46/06/14/409460614.db2.gz KZODMTYQMSYXRX-XHSDSOJGSA-N 1 0 321.377 1.033 20 5 DDBDRO CCc1ccc(C(=O)N2CC[C@H](OC)C[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000359217750 164143536 /nfs/dbraw/zinc/14/35/36/164143536.db2.gz OIJJRQQAVBIGTD-KBPBESRZSA-N 1 0 321.377 1.736 20 5 DDBDRO O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000290638178 409469919 /nfs/dbraw/zinc/46/99/19/409469919.db2.gz RBMHTCQPEXEJFO-UWVGGRQHSA-N 1 0 309.753 1.930 20 5 DDBDRO CNC(=O)[C@@H](CCSC)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000342302340 409567815 /nfs/dbraw/zinc/56/78/15/409567815.db2.gz CMFFAWHBUZHXEA-GFCCVEGCSA-N 1 0 311.407 1.861 20 5 DDBDRO COC(=O)COc1ccc(C[NH2+][C@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000342304966 409573664 /nfs/dbraw/zinc/57/36/64/409573664.db2.gz FXWIOZYJTRCKQC-LBPRGKRZSA-N 1 0 324.333 1.415 20 5 DDBDRO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000304290270 409599241 /nfs/dbraw/zinc/59/92/41/409599241.db2.gz CFDLHPLGNGUOLU-AYRXBEOTSA-N 1 0 308.382 1.805 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@@H]2c2ccccc2)c1 ZINC000304339054 409609858 /nfs/dbraw/zinc/60/98/58/409609858.db2.gz PGALAKOWPHARFT-HZPDHXFCSA-N 1 0 316.361 1.989 20 5 DDBDRO Cc1cc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(N)c([N+](=O)[O-])c1 ZINC000296835453 409659369 /nfs/dbraw/zinc/65/93/69/409659369.db2.gz DEFCPPMPBDAAFR-YOGCLGLASA-N 1 0 318.377 1.840 20 5 DDBDRO COc1ccc(NC(=O)CCN2CCC[C@@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000346100537 409782225 /nfs/dbraw/zinc/78/22/25/409782225.db2.gz SOUYGUKMPZTEIJ-LLVKDONJSA-N 1 0 322.365 1.355 20 5 DDBDRO Cn1cncc1C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000331668209 409750612 /nfs/dbraw/zinc/75/06/12/409750612.db2.gz UECADFFZUDNNAJ-QWHCGFSZSA-N 1 0 304.354 1.798 20 5 DDBDRO Cn1nc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000357050518 409821253 /nfs/dbraw/zinc/82/12/53/409821253.db2.gz IEFWAQRTZYFGEO-LBPRGKRZSA-N 1 0 321.381 1.132 20 5 DDBDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000357005052 409785631 /nfs/dbraw/zinc/78/56/31/409785631.db2.gz QQQNWFUNWPLTET-UMVBOHGHSA-N 1 0 323.393 1.359 20 5 DDBDRO [NH3+]C[C@H]1CN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CCCO1 ZINC000313351884 409808032 /nfs/dbraw/zinc/80/80/32/409808032.db2.gz KUKBJTHHHMHWFU-VIFPVBQESA-N 1 0 313.741 1.438 20 5 DDBDRO CCOC(=O)c1cc(C(=O)N[C@H](C)C[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000346136814 409809912 /nfs/dbraw/zinc/80/99/12/409809912.db2.gz LNIVXTCQCXZFKE-SNVBAGLBSA-N 1 0 323.349 1.451 20 5 DDBDRO COc1ccc(S(=O)(=O)N[C@H](C)C[C@@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000320480627 409906361 /nfs/dbraw/zinc/90/63/61/409906361.db2.gz GUNPGORFOJFVGK-RKDXNWHRSA-N 1 0 317.367 1.008 20 5 DDBDRO [NH3+]C[C@@H]1CCCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000297277627 409889538 /nfs/dbraw/zinc/88/95/38/409889538.db2.gz BKTWWGHTBFZXKT-NSHDSACASA-N 1 0 316.361 1.816 20 5 DDBDRO CN(c1ncc([N+](=O)[O-])cc1Cl)C1CC[NH+](CCO)CC1 ZINC000346405500 409955123 /nfs/dbraw/zinc/95/51/23/409955123.db2.gz IFYLWPQBJYVNQS-UHFFFAOYSA-N 1 0 314.773 1.536 20 5 DDBDRO COc1c(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cccc1[N+](=O)[O-] ZINC000332309876 410057016 /nfs/dbraw/zinc/05/70/16/410057016.db2.gz XCILZTUMELFCTK-STQMWFEESA-N 1 0 319.361 1.960 20 5 DDBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000357526117 410085095 /nfs/dbraw/zinc/08/50/95/410085095.db2.gz DPOVCGGZMFRUEN-PWSUYJOCSA-N 1 0 319.365 1.152 20 5 DDBDRO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H]1C ZINC000346691743 410086891 /nfs/dbraw/zinc/08/68/91/410086891.db2.gz WAZSXXSPSZRMFJ-JOYOIKCWSA-N 1 0 321.333 1.077 20 5 DDBDRO COc1c(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000354811979 410105355 /nfs/dbraw/zinc/10/53/55/410105355.db2.gz WVKSWVIVJNJVSM-NSHDSACASA-N 1 0 319.361 1.818 20 5 DDBDRO Cc1c(NC(=O)CC[N@@H+]2CCC[C@@H](CO)C2)cccc1[N+](=O)[O-] ZINC000298105659 410118396 /nfs/dbraw/zinc/11/83/96/410118396.db2.gz NRCMVBYGIWJKPK-CYBMUJFWSA-N 1 0 321.377 1.936 20 5 DDBDRO C[C@H]1CCC[N@H+](CCNc2ncc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000298691279 410351393 /nfs/dbraw/zinc/35/13/93/410351393.db2.gz CVJAFCSXMLHQPU-JTQLQIEISA-N 1 0 307.354 1.233 20 5 DDBDRO C[C@@H](CN1CCOCC1)Nc1ccc([N+](=O)[O-])c2nonc21 ZINC000298729041 410370669 /nfs/dbraw/zinc/37/06/69/410370669.db2.gz RLYVKAHHTWKOHJ-VIFPVBQESA-N 1 0 307.310 1.264 20 5 DDBDRO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000343411668 410430577 /nfs/dbraw/zinc/43/05/77/410430577.db2.gz FCIJPKNXKFRYIC-NHYWBVRUSA-N 1 0 303.362 1.868 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)NCC[N@H+]2CC=C(C)CC2)c1 ZINC000355323510 410441232 /nfs/dbraw/zinc/44/12/32/410441232.db2.gz SVIVOFDDLLXNJR-UHFFFAOYSA-N 1 0 319.361 1.985 20 5 DDBDRO CCC[N@@H+]1CCC[C@@H]1CNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000343572768 410542566 /nfs/dbraw/zinc/54/25/66/410542566.db2.gz PIVGJHPBUVPUPD-CQSZACIVSA-N 1 0 321.377 1.964 20 5 DDBDRO Cn1nncc1C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000352599014 410671320 /nfs/dbraw/zinc/67/13/20/410671320.db2.gz XDNONBZCJCEUSE-NWDGAFQWSA-N 1 0 305.342 1.193 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC[N@@H+](C3CCOCC3)CC2)nc1 ZINC000301353995 410705428 /nfs/dbraw/zinc/70/54/28/410705428.db2.gz KAKXNXGSRVMISM-UHFFFAOYSA-N 1 0 306.366 1.681 20 5 DDBDRO COCc1cc([N+](=O)[O-])ccc1N1CC[NH+](CC(C)(C)O)CC1 ZINC000301446437 410722916 /nfs/dbraw/zinc/72/29/16/410722916.db2.gz PXAJGPSLLMDUPQ-UHFFFAOYSA-N 1 0 323.393 1.634 20 5 DDBDRO Cc1ccnc(N2CC[NH+](C[C@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000301554386 410744582 /nfs/dbraw/zinc/74/45/82/410744582.db2.gz NAYMOWVFGBIWRJ-CYBMUJFWSA-N 1 0 306.366 1.457 20 5 DDBDRO Cc1c(NC(=O)CC[N@@H+](C)[C@H]2CCNC2=O)cccc1[N+](=O)[O-] ZINC000340224263 410772350 /nfs/dbraw/zinc/77/23/50/410772350.db2.gz ZCBLSISZOAKEQP-ZDUSSCGKSA-N 1 0 320.349 1.052 20 5 DDBDRO CN(C)S(=O)(=O)CC[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000353106158 410787567 /nfs/dbraw/zinc/78/75/67/410787567.db2.gz GLCZVGOTRYKJCS-ALCCZGGFSA-N 1 0 313.379 1.089 20 5 DDBDRO COC(=O)c1cnc(N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000302750019 410857645 /nfs/dbraw/zinc/85/76/45/410857645.db2.gz GWKLHYSZFDCPBI-ONGXEEELSA-N 1 0 320.349 1.814 20 5 DDBDRO CC[C@H](Cn1cncn1)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000353278731 410898335 /nfs/dbraw/zinc/89/83/35/410898335.db2.gz XIRZXHJSTQZFTC-GFCCVEGCSA-N 1 0 305.338 1.763 20 5 DDBDRO C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000348288526 410899078 /nfs/dbraw/zinc/89/90/78/410899078.db2.gz WMCXNNYDUBSTDS-MIMYLULJSA-N 1 0 322.287 1.425 20 5 DDBDRO C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000348288525 410900636 /nfs/dbraw/zinc/90/06/36/410900636.db2.gz WMCXNNYDUBSTDS-IEBDPFPHSA-N 1 0 322.287 1.425 20 5 DDBDRO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C1CCN(CCO)CC1 ZINC000353360736 410941623 /nfs/dbraw/zinc/94/16/23/410941623.db2.gz LIMSSPBDMGUYGM-GQCTYLIASA-N 1 0 319.405 1.997 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000356293976 410950913 /nfs/dbraw/zinc/95/09/13/410950913.db2.gz ITYNTFMXJRTQDJ-INIZCTEOSA-N 1 0 318.377 1.856 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)[C@@H](C[NH3+])C1CC1 ZINC000359987539 410986468 /nfs/dbraw/zinc/98/64/68/410986468.db2.gz WANPWGSRVVAIFW-AWEZNQCLSA-N 1 0 306.366 1.511 20 5 DDBDRO Cc1cc(N2CCC[N@@H+]([C@H](C)CO)CC2)c(F)cc1[N+](=O)[O-] ZINC000360054358 411023185 /nfs/dbraw/zinc/02/31/85/411023185.db2.gz SVEKSMPTHXNQPY-GFCCVEGCSA-N 1 0 311.357 1.935 20 5 DDBDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])nn2C)C1 ZINC000356444448 411034025 /nfs/dbraw/zinc/03/40/25/411034025.db2.gz IAEYKMDTXCHADH-LLVKDONJSA-N 1 0 309.370 1.179 20 5 DDBDRO Cc1ccc(NCCCNC(=O)[C@H]2CCC[N@H+]2C)c([N+](=O)[O-])c1 ZINC000129192762 196027762 /nfs/dbraw/zinc/02/77/62/196027762.db2.gz RGMMVGKBMSTYMA-CQSZACIVSA-N 1 0 320.393 1.916 20 5 DDBDRO Cc1ccc(NC(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000415649201 224685810 /nfs/dbraw/zinc/68/58/10/224685810.db2.gz PJMUTBQTAGAGEO-WDEREUQCSA-N 1 0 320.349 1.228 20 5 DDBDRO C[C@H](NC(=O)NCC[C@@H]1CC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000417138947 225221395 /nfs/dbraw/zinc/22/13/95/225221395.db2.gz OONCPFHHWHGBLL-RYUDHWBXSA-N 1 0 306.366 1.955 20 5 DDBDRO [NH3+]C[C@@H]1CC[C@H](NC(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000417232783 225256584 /nfs/dbraw/zinc/25/65/84/225256584.db2.gz NBCCQAFLZHBSGA-OLZOCXBDSA-N 1 0 306.366 1.564 20 5 DDBDRO CO[C@@H]1[C@H](C)[C@@H]([NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1(C)C ZINC000295936396 225395657 /nfs/dbraw/zinc/39/56/57/225395657.db2.gz IPFBYSKMJQZSTP-OWYVNGRQSA-N 1 0 321.377 1.843 20 5 DDBDRO Cc1c(CNC(=O)[C@@H](C)C[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000360540001 418459833 /nfs/dbraw/zinc/45/98/33/418459833.db2.gz KDIQXMWLPXXAEC-LBPRGKRZSA-N 1 0 321.377 1.488 20 5 DDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CC[N@H+](C[C@H](C)O)C[C@@H]1C ZINC000361006286 418564771 /nfs/dbraw/zinc/56/47/71/418564771.db2.gz CHBKAXGVKDLERS-QWRGUYRKSA-N 1 0 311.386 1.011 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)n1 ZINC000191840293 222110409 /nfs/dbraw/zinc/11/04/09/222110409.db2.gz YTMOVQFBUWUNFR-UWVGGRQHSA-N 1 0 307.354 1.166 20 5 DDBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2nn(CC)cc2[N+](=O)[O-])C1 ZINC000191830084 222110493 /nfs/dbraw/zinc/11/04/93/222110493.db2.gz CCIZMBWZRZSUGB-GFCCVEGCSA-N 1 0 323.397 1.615 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@@H](O)c3ccccc3C2)n1 ZINC000374923944 418580202 /nfs/dbraw/zinc/58/02/02/418580202.db2.gz FZOMWTIMBLQMSM-CQSZACIVSA-N 1 0 302.334 1.731 20 5 DDBDRO C[C@@H]1CN(C/C=C/c2ccccc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000190240515 222071529 /nfs/dbraw/zinc/07/15/29/222071529.db2.gz FYAIIRXUAMBPQI-YVARQFDVSA-N 1 0 305.378 1.606 20 5 DDBDRO CC[NH+]1CCN(C[C@H](C)CNc2ncc([N+](=O)[O-])s2)CC1 ZINC000195509809 222204161 /nfs/dbraw/zinc/20/41/61/222204161.db2.gz PCUFFKHEAXZSJI-LLVKDONJSA-N 1 0 313.427 1.737 20 5 DDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000375068864 418598945 /nfs/dbraw/zinc/59/89/45/418598945.db2.gz PSWWBSSWWJLRDV-CYBMUJFWSA-N 1 0 318.377 1.877 20 5 DDBDRO Cc1nc([N+](=O)[O-])c(-c2noc([C@H]3C[N@@H+](C)C[C@H]3C)n2)n1C ZINC000361248769 418612264 /nfs/dbraw/zinc/61/22/64/418612264.db2.gz CXVDLPKPCNYPOU-APPZFPTMSA-N 1 0 306.326 1.352 20 5 DDBDRO C[C@H](CO)[N@@H+]1CCCN(c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000375508593 418651695 /nfs/dbraw/zinc/65/16/95/418651695.db2.gz UDIQCSNIVLIHIX-SNVBAGLBSA-N 1 0 314.773 1.536 20 5 DDBDRO NC(=O)c1ccc(C[NH2+]C2(C3CC3)CCOCC2)c([N+](=O)[O-])c1 ZINC000375703641 418674750 /nfs/dbraw/zinc/67/47/50/418674750.db2.gz YAHFLQOXZHMYEA-UHFFFAOYSA-N 1 0 319.361 1.743 20 5 DDBDRO Cc1ccc(S(=O)(=O)N(C)C2(C[NH3+])CCC2)cc1[N+](=O)[O-] ZINC000385306858 418736717 /nfs/dbraw/zinc/73/67/17/418736717.db2.gz KVUZYORMPACWAS-UHFFFAOYSA-N 1 0 313.379 1.405 20 5 DDBDRO Cc1cc(NC[C@@H]2CCC[C@H]2[NH+]2CCOCC2)ncc1[N+](=O)[O-] ZINC000364885456 418821290 /nfs/dbraw/zinc/82/12/90/418821290.db2.gz CZKVHJPVTYOSEG-UONOGXRCSA-N 1 0 320.393 2.211 20 5 DDBDRO CC(=O)c1ccc(N2CCC[N@@H+]([C@@H](C)CO)CC2)c([N+](=O)[O-])c1 ZINC000364954054 418827716 /nfs/dbraw/zinc/82/77/16/418827716.db2.gz JEKBGCMVJPMVNY-LBPRGKRZSA-N 1 0 321.377 1.690 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000365305996 418850830 /nfs/dbraw/zinc/85/08/30/418850830.db2.gz QYSFOXGUOMWTCS-GFCCVEGCSA-N 1 0 306.366 1.855 20 5 DDBDRO CC(C)OC[C@@H](O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365890186 418920465 /nfs/dbraw/zinc/92/04/65/418920465.db2.gz ZLAJYLUMYXUUPE-ZDUSSCGKSA-N 1 0 312.370 1.214 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H]1CCO ZINC000426230005 419411583 /nfs/dbraw/zinc/41/15/83/419411583.db2.gz JTHPGXCFCIDNLL-CHWSQXEVSA-N 1 0 310.350 1.181 20 5 DDBDRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000417954161 419420808 /nfs/dbraw/zinc/42/08/08/419420808.db2.gz ZXZGAXQLMKDSPS-FZMZJTMJSA-N 1 0 306.366 1.435 20 5 DDBDRO Cc1c(CNC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000418081437 419518337 /nfs/dbraw/zinc/51/83/37/419518337.db2.gz ODOFUCBAPAIKRH-QWHCGFSZSA-N 1 0 306.366 1.972 20 5 DDBDRO Cc1c(CNC(=O)N2CC[C@](C)(C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000418083912 419519733 /nfs/dbraw/zinc/51/97/33/419519733.db2.gz UGWLAJUTQZSXHU-OAHLLOKOSA-N 1 0 306.366 1.784 20 5 DDBDRO C[C@@H](CCCC[NH3+])NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000427958707 419775345 /nfs/dbraw/zinc/77/53/45/419775345.db2.gz JVDBWGNTOKGFFO-QMMMGPOBSA-N 1 0 307.397 1.452 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000428031841 419794176 /nfs/dbraw/zinc/79/41/76/419794176.db2.gz IECGWHTZDLMULN-DOMZBBRYSA-N 1 0 318.377 1.526 20 5 DDBDRO CN(CC[NH3+])C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000414952787 419890344 /nfs/dbraw/zinc/89/03/44/419890344.db2.gz QYLMXIWOGYCTLB-UHFFFAOYSA-N 1 0 304.253 1.619 20 5 DDBDRO [NH3+]C[C@@H]1CCCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000428618301 419905099 /nfs/dbraw/zinc/90/50/99/419905099.db2.gz MMFXJNHDJJOALG-NSHDSACASA-N 1 0 318.377 1.980 20 5 DDBDRO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000415634507 420131253 /nfs/dbraw/zinc/13/12/53/420131253.db2.gz SLIZUOFTZOTMRK-UWVGGRQHSA-N 1 0 308.313 1.807 20 5 DDBDRO O=C(COC1C[NH2+]C1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423719674 420140931 /nfs/dbraw/zinc/14/09/31/420140931.db2.gz FZJDAFLDFUQYID-UHFFFAOYSA-N 1 0 305.334 1.074 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000423534128 420074567 /nfs/dbraw/zinc/07/45/67/420074567.db2.gz VGJKDKVYXAFTGH-QWRGUYRKSA-N 1 0 307.350 1.803 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](CO)C1CCOCC1 ZINC000430207141 420091040 /nfs/dbraw/zinc/09/10/40/420091040.db2.gz QFHQBMJUDVUHHO-AWEZNQCLSA-N 1 0 310.350 1.481 20 5 DDBDRO C[C@@H](C[NH3+])N(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000420286469 420183624 /nfs/dbraw/zinc/18/36/24/420183624.db2.gz GRCCNAZWOHWMKS-QMMMGPOBSA-N 1 0 300.746 1.466 20 5 DDBDRO [NH3+]C1(C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)CCCCC1 ZINC000423823037 420209357 /nfs/dbraw/zinc/20/93/57/420209357.db2.gz HAXCYROPAKIZHS-UHFFFAOYSA-N 1 0 304.350 1.536 20 5 DDBDRO COC(=O)c1cc(C)nc(NCC[C@H]2CCC[NH2+]C2)c1[N+](=O)[O-] ZINC000420196435 420147444 /nfs/dbraw/zinc/14/74/44/420147444.db2.gz LAPINCYZAOCOSL-LLVKDONJSA-N 1 0 322.365 1.886 20 5 DDBDRO C[NH2+]C[C@@H](C)CNc1c2ccc(OC)cc2ncc1[N+](=O)[O-] ZINC000420212193 420152087 /nfs/dbraw/zinc/15/20/87/420152087.db2.gz TVHPZTVUMQROIK-SNVBAGLBSA-N 1 0 304.350 1.841 20 5 DDBDRO [NH3+]CCNC(=O)[C@H]1CCCN(Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000430629056 420164904 /nfs/dbraw/zinc/16/49/04/420164904.db2.gz PLDQEIPQVLYTMX-NSHDSACASA-N 1 0 324.356 1.021 20 5 DDBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000420360490 420236635 /nfs/dbraw/zinc/23/66/35/420236635.db2.gz HERXQIOYHBHBDK-ISTVAULSSA-N 1 0 306.366 1.170 20 5 DDBDRO C[C@@H]1C[NH2+][C@@H](C)CN1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000420400650 420262996 /nfs/dbraw/zinc/26/29/96/420262996.db2.gz PDGKAJLSYKQBKS-NWDGAFQWSA-N 1 0 318.377 1.166 20 5 DDBDRO C[C@@H](CNc1c(C(N)=O)cccc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000420589968 420324582 /nfs/dbraw/zinc/32/45/82/420324582.db2.gz USAHFSCIUVXTMJ-NSHDSACASA-N 1 0 306.366 1.838 20 5 DDBDRO CC1(NS(=O)(=O)c2ccc([N+](=O)[O-])s2)CC[NH2+]CC1 ZINC000420444284 420292363 /nfs/dbraw/zinc/29/23/63/420292363.db2.gz CCHLWVUPBHZAJC-UHFFFAOYSA-N 1 0 305.381 1.077 20 5 DDBDRO C[NH2+]CCCN(C)S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000420468474 420305247 /nfs/dbraw/zinc/30/52/47/420305247.db2.gz GBPHWXURSOMNBV-UHFFFAOYSA-N 1 0 315.395 1.442 20 5 DDBDRO C[NH+](C)C1(CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)CCC1 ZINC000445739853 230192979 /nfs/dbraw/zinc/19/29/79/230192979.db2.gz DAEFVOGWDCDQFD-UHFFFAOYSA-N 1 0 319.408 1.419 20 5 DDBDRO C[C@@H](NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1)[C@H](C)[NH3+] ZINC000417716194 420459441 /nfs/dbraw/zinc/45/94/41/420459441.db2.gz JKAHVFLTBXNUED-NWDGAFQWSA-N 1 0 308.382 1.952 20 5 DDBDRO C[C@@H]1CN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H](C)[N@H+]1CCO ZINC000450790781 420532703 /nfs/dbraw/zinc/53/27/03/420532703.db2.gz HKHFICXGMZFXTI-PHIMTYICSA-N 1 0 319.365 1.362 20 5 DDBDRO C[C@@H]1[NH2+]CCN(C(=O)NCCc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000417766919 420472929 /nfs/dbraw/zinc/47/29/29/420472929.db2.gz PTUUTVIRGRDDJW-RYUDHWBXSA-N 1 0 306.366 1.529 20 5 DDBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NC[C@@H]1CC[NH2+]C1 ZINC000440838586 420613262 /nfs/dbraw/zinc/61/32/62/420613262.db2.gz SWFSWXJWMKREND-MRVPVSSYSA-N 1 0 319.770 1.136 20 5 DDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001120578798 782034949 /nfs/dbraw/zinc/03/49/49/782034949.db2.gz IAHDHBWLXUMTSC-FRRDWIJNSA-N 1 0 304.350 1.629 20 5 DDBDRO CC(C)[C@@H]1C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H]1C(C)C ZINC000453041965 420705441 /nfs/dbraw/zinc/70/54/41/420705441.db2.gz SBRBRONHRZNGNX-ILXRZTDVSA-N 1 0 310.398 1.765 20 5 DDBDRO [NH3+]C[C@@H]1CC[C@H](NC(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000492965773 420723435 /nfs/dbraw/zinc/72/34/35/420723435.db2.gz VDEQKASSJZMVNR-AJOUATDUSA-N 1 0 307.325 1.991 20 5 DDBDRO CCN1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1=O ZINC000453366478 420723824 /nfs/dbraw/zinc/72/38/24/420723824.db2.gz RCLBQMWVIMKUSQ-UPJWGTAASA-N 1 0 321.381 1.485 20 5 DDBDRO CN(C)C(=O)CC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447559610 420781770 /nfs/dbraw/zinc/78/17/70/420781770.db2.gz AEKGIIVRQDOAEW-RYUDHWBXSA-N 1 0 309.370 1.343 20 5 DDBDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000447994167 420831331 /nfs/dbraw/zinc/83/13/31/420831331.db2.gz TTWINYWTFATHKT-ZDUSSCGKSA-N 1 0 321.381 1.654 20 5 DDBDRO CNc1nc(C(=O)N2CCC[C@@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000455366546 421003134 /nfs/dbraw/zinc/00/31/34/421003134.db2.gz MKQNLBCBQZBOTA-SNVBAGLBSA-N 1 0 307.354 1.198 20 5 DDBDRO CC1(C)C[NH2+]CC[C@@H]1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000449695910 421061967 /nfs/dbraw/zinc/06/19/67/421061967.db2.gz JKNAFDIAOYMURA-ZDUSSCGKSA-N 1 0 307.350 1.478 20 5 DDBDRO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)C[C@H](C)[N@H+]1CCO ZINC000449533346 421024400 /nfs/dbraw/zinc/02/44/00/421024400.db2.gz KDANLARTCKARJR-TXEJJXNPSA-N 1 0 311.357 1.621 20 5 DDBDRO C[C@@H]1C[C@H]1C[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000488408846 421089273 /nfs/dbraw/zinc/08/92/73/421089273.db2.gz FYCBACAEWRSQJU-MNOVXSKESA-N 1 0 313.379 1.119 20 5 DDBDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000522811420 421225484 /nfs/dbraw/zinc/22/54/84/421225484.db2.gz PHXVLNXYJGYXJP-GFCCVEGCSA-N 1 0 309.370 1.028 20 5 DDBDRO C[C@@H]1CC[N@H+](CCNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000524775240 421271575 /nfs/dbraw/zinc/27/15/75/421271575.db2.gz AVQPTVZHVZSXRG-SNVBAGLBSA-N 1 0 317.349 1.543 20 5 DDBDRO CC(C)CN(C(=O)c1c[nH]nc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000547764300 421364700 /nfs/dbraw/zinc/36/47/00/421364700.db2.gz BUNJPIXDLKQHJP-UHFFFAOYSA-N 1 0 309.370 1.510 20 5 DDBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000563168985 421467236 /nfs/dbraw/zinc/46/72/36/421467236.db2.gz CWLGFNNJLPWWEP-DTWKUNHWSA-N 1 0 309.322 1.222 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H]1C[C@@H](O)C1(C)C ZINC000517244869 421604962 /nfs/dbraw/zinc/60/49/62/421604962.db2.gz NKLUJUQDKSVKTC-NWDGAFQWSA-N 1 0 307.350 1.591 20 5 DDBDRO COc1ccc(CC(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000571499080 421719796 /nfs/dbraw/zinc/71/97/96/421719796.db2.gz YZKKNRBNVDSAFZ-QWHCGFSZSA-N 1 0 319.361 1.214 20 5 DDBDRO O=C(CC[NH2+]C[C@@H]1CCCOC1)Nc1ccccc1[N+](=O)[O-] ZINC000558572752 421814591 /nfs/dbraw/zinc/81/45/91/421814591.db2.gz JKFQQBPUXVALRC-LBPRGKRZSA-N 1 0 307.350 1.940 20 5 DDBDRO CCOC(=O)c1cc(C(=O)N[C@H](C)C[C@H](C)[NH3+])cc([N+](=O)[O-])c1 ZINC000573002333 421897729 /nfs/dbraw/zinc/89/77/29/421897729.db2.gz HTRJMSONFVNSJO-VHSXEESVSA-N 1 0 323.349 1.627 20 5 DDBDRO CO[C@](C)(C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000581544308 421995722 /nfs/dbraw/zinc/99/57/22/421995722.db2.gz XGGMFTWVZUWOJW-XJKSGUPXSA-N 1 0 324.377 1.739 20 5 DDBDRO Cc1cc(OCC(=O)N2C[C@H]3CC[N@@H+](C)[C@H]3C2)ccc1[N+](=O)[O-] ZINC000574643732 422150449 /nfs/dbraw/zinc/15/04/49/422150449.db2.gz HWIWDHLLIUFLHH-DOMZBBRYSA-N 1 0 319.361 1.445 20 5 DDBDRO CC(C)[C@@H](C(=O)NCCOc1ccc([N+](=O)[O-])cc1)[C@H](C)[NH3+] ZINC000583434668 422162420 /nfs/dbraw/zinc/16/24/20/422162420.db2.gz ANABZEQRTXSUSG-SMDDNHRTSA-N 1 0 309.366 1.709 20 5 DDBDRO Nc1nc(NCCc2ccccc2[N+](=O)[O-])c2c([nH+]1)CCCC2 ZINC000591915514 422328584 /nfs/dbraw/zinc/32/85/84/422328584.db2.gz VFTGTIXQMOAPBR-UHFFFAOYSA-N 1 0 313.361 1.922 20 5 DDBDRO COC(=O)c1cc(NC(=O)[C@@H]2CC[NH2+][C@@H]2C)cc([N+](=O)[O-])c1 ZINC000579110486 422709055 /nfs/dbraw/zinc/70/90/55/422709055.db2.gz WUDLWROMDKAALL-PRHODGIISA-N 1 0 307.306 1.318 20 5 DDBDRO Cc1cc(S(=O)(=O)N2CC[C@@H]([NH3+])C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000237635484 263583124 /nfs/dbraw/zinc/58/31/24/263583124.db2.gz OGMRRVIDTRSJOW-WDEREUQCSA-N 1 0 313.379 1.404 20 5 DDBDRO CO[C@@H]1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)[C@@H](C[NH3+])C1 ZINC000322042559 271028428 /nfs/dbraw/zinc/02/84/28/271028428.db2.gz GVCIODDAZQPHJH-HYBGQWMJSA-N 1 0 319.361 1.573 20 5 DDBDRO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])nn2C)CC[N@@H+](C2CCC2)C1 ZINC000344696847 272093217 /nfs/dbraw/zinc/09/32/17/272093217.db2.gz HRXQGDQDDHDJHR-NSHDSACASA-N 1 0 321.381 1.275 20 5 DDBDRO COC(=O)c1cc(NC(=O)N[C@H](C)[C@@H](C)[NH3+])c(C)c([N+](=O)[O-])c1 ZINC000415606960 274000840 /nfs/dbraw/zinc/00/08/40/274000840.db2.gz ZGHWPLVJYDWUMN-RKDXNWHRSA-N 1 0 324.337 1.547 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)c1 ZINC000275432673 274118433 /nfs/dbraw/zinc/11/84/33/274118433.db2.gz FABGEWJWSNHHFD-LBPRGKRZSA-N 1 0 323.393 1.885 20 5 DDBDRO C[C@@H]1C[N@H+](C)CCN1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000332362967 274333171 /nfs/dbraw/zinc/33/31/71/274333171.db2.gz XAHNMFDKBGPYOB-GFCCVEGCSA-N 1 0 318.377 1.120 20 5 DDBDRO O=C1NCCCC[C@H]1[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000119973391 275022565 /nfs/dbraw/zinc/02/25/65/275022565.db2.gz KIGOKQIOSAHHMD-DGCLKSJQSA-N 1 0 319.365 1.145 20 5 DDBDRO O=[N+]([O-])c1cc2c(ncnc2N2CC[C@@H]3C[NH2+]C[C@H]3C2)s1 ZINC000261628364 275034076 /nfs/dbraw/zinc/03/40/76/275034076.db2.gz HJQZCTYQSFVECD-BDAKNGLRSA-N 1 0 305.363 1.645 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)[C@H](NC[C@@H]1C[NH2+]CCCO1)CCC2 ZINC000423492141 275038323 /nfs/dbraw/zinc/03/83/23/275038323.db2.gz LWOWDBGALJZDJX-GOEBONIOSA-N 1 0 305.378 1.940 20 5 DDBDRO CN(C(=O)CCOc1ccccc1[N+](=O)[O-])[C@H](C[NH3+])C1CC1 ZINC000423948335 276731856 /nfs/dbraw/zinc/73/18/56/276731856.db2.gz LPTFNYJDVZTCAJ-CYBMUJFWSA-N 1 0 307.350 1.559 20 5 DDBDRO C[N@@H+]1CCCC[C@@H]1CN1CCN(c2ccncc2[N+](=O)[O-])CC1 ZINC000337313358 277045448 /nfs/dbraw/zinc/04/54/48/277045448.db2.gz ADTGSDZSFSXCSZ-CQSZACIVSA-N 1 0 319.409 1.596 20 5 DDBDRO C[N@H+]1C[C@H]2CN(c3nc4ccc([N+](=O)[O-])cc4c(=O)[nH]3)C[C@H]2C1 ZINC000287617710 277199682 /nfs/dbraw/zinc/19/96/82/277199682.db2.gz GLVVIRZNQINCPS-AOOOYVTPSA-N 1 0 315.333 1.241 20 5 DDBDRO CC(C)(C)[C@H](C[NH3+])NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000261596218 277247999 /nfs/dbraw/zinc/24/79/99/277247999.db2.gz DXNVGRVUUBNBGW-NSHDSACASA-N 1 0 301.368 1.247 20 5 DDBDRO C[C@H](C[NH+]1CCCCC1)Nc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000301929022 279303814 /nfs/dbraw/zinc/30/38/14/279303814.db2.gz NPLBQHJIABNGOT-LLVKDONJSA-N 1 0 304.354 1.924 20 5 DDBDRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000423689282 280099761 /nfs/dbraw/zinc/09/97/61/280099761.db2.gz XNVYOESXPHMXCV-HZMBPMFUSA-N 1 0 315.333 1.342 20 5 DDBDRO C[C@]1(C(=O)NCCNc2ccccc2[N+](=O)[O-])CCCC[NH2+]1 ZINC000237758043 280147375 /nfs/dbraw/zinc/14/73/75/280147375.db2.gz KYMMVXWJMFYCOK-OAHLLOKOSA-N 1 0 306.366 1.655 20 5 DDBDRO O=C(CCN1CC[NH+](C2CC2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000126076783 281225624 /nfs/dbraw/zinc/22/56/24/281225624.db2.gz MTTQVBFXVFYYIK-UHFFFAOYSA-N 1 0 318.377 1.703 20 5 DDBDRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)c1c([N+](=O)[O-])cnn1C ZINC000128404602 281310336 /nfs/dbraw/zinc/31/03/36/281310336.db2.gz VRVFGXSYFFRFQA-LBPRGKRZSA-N 1 0 323.397 1.569 20 5 DDBDRO Cc1ccnc(N2CC[NH+](C[C@@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000301554395 281458043 /nfs/dbraw/zinc/45/80/43/281458043.db2.gz NAYMOWVFGBIWRJ-ZDUSSCGKSA-N 1 0 306.366 1.457 20 5 DDBDRO CC[NH+](CC)CC(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000135537199 281595521 /nfs/dbraw/zinc/59/55/21/281595521.db2.gz MXKWPCZGFMUDBT-LBPRGKRZSA-N 1 0 321.381 1.344 20 5 DDBDRO Cc1cnc(N2CC[NH+](C3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000267092824 281603643 /nfs/dbraw/zinc/60/36/43/281603643.db2.gz UXAKSEBGOUWMCD-UHFFFAOYSA-N 1 0 306.366 1.599 20 5 DDBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCC1C[NH2+]C1 ZINC000261927763 290181115 /nfs/dbraw/zinc/18/11/15/290181115.db2.gz BVASORKEGMNMEZ-QMMMGPOBSA-N 1 0 313.741 1.351 20 5 DDBDRO CC[C@H](O)[C@H](CC)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000572722072 304550860 /nfs/dbraw/zinc/55/08/60/304550860.db2.gz PEBRTPSRRZOKBQ-SNPRPXQTSA-N 1 0 312.366 1.474 20 5 DDBDRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000362444041 300064586 /nfs/dbraw/zinc/06/45/86/300064586.db2.gz BRXQEAZRXZLQIJ-SMDDNHRTSA-N 1 0 306.366 1.321 20 5 DDBDRO [NH3+][C@@H]1CCC[C@@]12CCN(C(=O)COc1ccc([N+](=O)[O-])cc1)C2 ZINC000364262346 300364903 /nfs/dbraw/zinc/36/49/03/300364903.db2.gz VMWPPNKXSWBKNY-ZBFHGGJFSA-N 1 0 319.361 1.704 20 5 DDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000368318289 301001345 /nfs/dbraw/zinc/00/13/45/301001345.db2.gz QNBOPDPMBLWAQS-GFCCVEGCSA-N 1 0 311.363 1.015 20 5 DDBDRO C[NH2+]C1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000575748675 304730456 /nfs/dbraw/zinc/73/04/56/304730456.db2.gz ROGRGCWIROZQDX-UHFFFAOYSA-N 1 0 307.306 1.148 20 5 DDBDRO C[N@@H+]1CCC[C@H](N2CCN(c3ccc(N)cc3[N+](=O)[O-])CC2)C1 ZINC000376176626 302045941 /nfs/dbraw/zinc/04/59/41/302045941.db2.gz YCGNTZGDKWVNME-AWEZNQCLSA-N 1 0 319.409 1.393 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000286120354 302645153 /nfs/dbraw/zinc/64/51/53/302645153.db2.gz OJYQQCSDOGYZAC-GFCCVEGCSA-N 1 0 309.370 1.220 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000517873591 302819809 /nfs/dbraw/zinc/81/98/09/302819809.db2.gz GGGRRKYCMSRPRQ-ZDUSSCGKSA-N 1 0 324.381 1.116 20 5 DDBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000357526126 306891672 /nfs/dbraw/zinc/89/16/72/306891672.db2.gz DPOVCGGZMFRUEN-ZYHUDNBSSA-N 1 0 319.365 1.152 20 5 DDBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC000532311600 303282193 /nfs/dbraw/zinc/28/21/93/303282193.db2.gz AYXOSJNZTDWXIW-GFCCVEGCSA-N 1 0 308.382 1.641 20 5 DDBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000532397553 303285071 /nfs/dbraw/zinc/28/50/71/303285071.db2.gz ZNQSPVRDGCOHNW-LBPRGKRZSA-N 1 0 306.366 1.698 20 5 DDBDRO Cc1cc(N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)ncc1[N+](=O)[O-] ZINC000361830404 307008302 /nfs/dbraw/zinc/00/83/02/307008302.db2.gz MHPPHEZUMKBNGB-GXTWGEPZSA-N 1 0 306.366 1.334 20 5 DDBDRO C[C@@H]1C[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@@H]1CO ZINC000362075628 307012960 /nfs/dbraw/zinc/01/29/60/307012960.db2.gz ISMIGBUSOBAZOO-DGCLKSJQSA-N 1 0 319.361 1.044 20 5 DDBDRO C[C@H]1C[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@H]1CO ZINC000362089713 307013899 /nfs/dbraw/zinc/01/38/99/307013899.db2.gz VLDCSMQGTXSQKD-JQWIXIFHSA-N 1 0 318.333 1.705 20 5 DDBDRO O=C(NC[C@@H]1CCC[N@H+](Cc2cccnc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000363398878 307027407 /nfs/dbraw/zinc/02/74/07/307027407.db2.gz QBJWAAMWMCFAND-RRFJBIMHSA-N 1 0 318.377 1.075 20 5 DDBDRO CN(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[C@H]1CCC[NH2+]CC1 ZINC000364640547 307049220 /nfs/dbraw/zinc/04/92/20/307049220.db2.gz IVEHGEOMSBDWOD-NSHDSACASA-N 1 0 322.321 1.717 20 5 DDBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)cc1 ZINC000364910979 307053801 /nfs/dbraw/zinc/05/38/01/307053801.db2.gz UMYSRMDQMIIRRT-OAHLLOKOSA-N 1 0 320.393 1.413 20 5 DDBDRO CCc1nn(C)c(N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000367750217 307103660 /nfs/dbraw/zinc/10/36/60/307103660.db2.gz ZWOQKBYIZDPVRL-RYUDHWBXSA-N 1 0 307.398 1.954 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C1CC1)C1CC[NH2+]CC1 ZINC000370793138 307136443 /nfs/dbraw/zinc/13/64/43/307136443.db2.gz IMIZYDAUAQAXCB-UHFFFAOYSA-N 1 0 321.381 1.233 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH+]1CC([C@@H]2CCOC2)C1 ZINC000373633736 307193098 /nfs/dbraw/zinc/19/30/98/307193098.db2.gz BWLFPKJQOWIUND-OCCSQVGLSA-N 1 0 322.361 1.303 20 5 DDBDRO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)[C@H]1CC1[N+](=O)[O-] ZINC000373798624 307195520 /nfs/dbraw/zinc/19/55/20/307195520.db2.gz SNAQHXUZKQFKST-SJXGUFTOSA-N 1 0 315.373 1.795 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1CN1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000373973972 307198733 /nfs/dbraw/zinc/19/87/33/307198733.db2.gz CLLMSHQCONJHFL-VZJVUDMVSA-N 1 0 319.361 1.689 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1CN1CCC[C@@]2(CNC(=O)O2)C1 ZINC000373973642 307198803 /nfs/dbraw/zinc/19/88/03/307198803.db2.gz BQERCNVJRSEYTG-OAHLLOKOSA-N 1 0 321.333 1.678 20 5 DDBDRO [NH3+][C@@H]1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000376118522 307239561 /nfs/dbraw/zinc/23/95/61/307239561.db2.gz RNXDEQSFFAJDMG-RTCCRHLQSA-N 1 0 311.363 1.238 20 5 DDBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000563562192 307975587 /nfs/dbraw/zinc/97/55/87/307975587.db2.gz RMVCSZNSAIODDI-INIZCTEOSA-N 1 0 318.377 1.880 20 5 DDBDRO C[C@@H](Cn1ccnc1)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000568621011 308124632 /nfs/dbraw/zinc/12/46/32/308124632.db2.gz KIQRXOYMCMWAJH-STQMWFEESA-N 1 0 320.349 1.209 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CCCC23CC[NH+](C)CC3)n1 ZINC000569185326 308135826 /nfs/dbraw/zinc/13/58/26/308135826.db2.gz CJVIDCZUKPTYFG-UHFFFAOYSA-N 1 0 321.381 1.512 20 5 DDBDRO C[C@]1(CO)CCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000570780248 308179416 /nfs/dbraw/zinc/17/94/16/308179416.db2.gz NAJRSLZYSBVGRY-OAHLLOKOSA-N 1 0 307.350 1.770 20 5 DDBDRO CC[NH2+]CCCNS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000573445039 308240355 /nfs/dbraw/zinc/24/03/55/308240355.db2.gz QYJRSJHVMYGHFC-UHFFFAOYSA-N 1 0 301.368 1.181 20 5 DDBDRO CC[C@H]1C[N@H+](C)CCN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000575384153 308276070 /nfs/dbraw/zinc/27/60/70/308276070.db2.gz GMFYCFXZOOUOFS-ZDUSSCGKSA-N 1 0 320.393 1.949 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1C[C@@H](O)C1(C)C ZINC000577742697 308411485 /nfs/dbraw/zinc/41/14/85/308411485.db2.gz DGFIWRXPWGPZIP-CHWSQXEVSA-N 1 0 307.350 1.591 20 5 DDBDRO C[C@@]1(C[NH3+])CCN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 ZINC000579101304 308506543 /nfs/dbraw/zinc/50/65/43/308506543.db2.gz DIKHZFAZNOJKEJ-HNNXBMFYSA-N 1 0 321.333 1.177 20 5 DDBDRO CC[C@@H]([NH3+])CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000579961777 308570147 /nfs/dbraw/zinc/57/01/47/308570147.db2.gz QPIFJGATCJVKOT-CYBMUJFWSA-N 1 0 320.393 1.665 20 5 DDBDRO CO[C@@H](C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C1CC1 ZINC000581187210 308659964 /nfs/dbraw/zinc/65/99/64/308659964.db2.gz LSCFSQHHLQTDPK-AWEZNQCLSA-N 1 0 306.366 1.537 20 5 DDBDRO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000582902499 337213413 /nfs/dbraw/zinc/21/34/13/337213413.db2.gz LORDYUKTYCXPKJ-GVXVVHGQSA-N 1 0 319.365 1.001 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@@H](CO)CC2CCC2)c1 ZINC000582905540 337213991 /nfs/dbraw/zinc/21/39/91/337213991.db2.gz RYPFBBZLGGCPSN-HIFRSBDPSA-N 1 0 324.377 1.475 20 5 DDBDRO COC(=O)C1(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)CC1 ZINC000583184948 337259898 /nfs/dbraw/zinc/25/98/98/337259898.db2.gz HISOCPDEATZVHD-UHFFFAOYSA-N 1 0 308.338 1.381 20 5 DDBDRO COC(=O)c1cc(C(=O)N[C@@H]2CCC[NH2+][C@H]2C)cc([N+](=O)[O-])c1 ZINC000423593077 533739376 /nfs/dbraw/zinc/73/93/76/533739376.db2.gz FQDMFXKAQNFTIS-TVQRCGJNSA-N 1 0 321.333 1.252 20 5 DDBDRO COC(=O)c1cc(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cc([N+](=O)[O-])c1 ZINC000423599653 533742323 /nfs/dbraw/zinc/74/23/23/533742323.db2.gz XQBTZLFIVPZYQW-NEPJUHHUSA-N 1 0 321.333 1.381 20 5 DDBDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000493316468 534090059 /nfs/dbraw/zinc/09/00/59/534090059.db2.gz HBAYMGHZMFRGEG-KMOZTTGJSA-N 1 0 307.325 1.861 20 5 DDBDRO C[C@@H]1OCC[C@]1(O)C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000433006680 534210315 /nfs/dbraw/zinc/21/03/15/534210315.db2.gz RGPFFYJQMKLAFU-ABHRYQDASA-N 1 0 324.381 1.405 20 5 DDBDRO C[C@@H]1CN(C(=O)CSc2ccc([N+](=O)[O-])cc2)C[C@@H](C)[NH2+]1 ZINC000153877796 518179908 /nfs/dbraw/zinc/17/99/08/518179908.db2.gz OAULAVTVVLSANB-GHMZBOCLSA-N 1 0 309.391 1.896 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000414650034 534342973 /nfs/dbraw/zinc/34/29/73/534342973.db2.gz ASDHRIASINTDLL-GFCCVEGCSA-N 1 0 308.338 1.403 20 5 DDBDRO O=[N+]([O-])c1ccc2[nH]c(NCCC[NH+]3CCC(O)CC3)nc2c1 ZINC000294802848 534883725 /nfs/dbraw/zinc/88/37/25/534883725.db2.gz CIEWMJZSEHSSNQ-UHFFFAOYSA-N 1 0 319.365 1.730 20 5 DDBDRO CC(C)([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(F)c1 ZINC000305774819 527293684 /nfs/dbraw/zinc/29/36/84/527293684.db2.gz MUOVQMAYKBPDPA-CQSZACIVSA-N 1 0 322.340 1.816 20 5 DDBDRO CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000423016981 527896870 /nfs/dbraw/zinc/89/68/70/527896870.db2.gz VFECZVZDHGWIMH-UONOGXRCSA-N 1 0 307.350 1.021 20 5 DDBDRO CC[N@H+](CC(C)(C)O)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000305721687 527954698 /nfs/dbraw/zinc/95/46/98/527954698.db2.gz ILSWDPWLMXLFFI-CQSZACIVSA-N 1 0 321.377 1.793 20 5 DDBDRO CC1(CNC(=O)NCCc2cccc([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000417936338 527956333 /nfs/dbraw/zinc/95/63/33/527956333.db2.gz HIHXEDSPXVJUOG-UHFFFAOYSA-N 1 0 320.393 1.826 20 5 DDBDRO CC[NH+](CC)CCN(CCOC)c1ncc([N+](=O)[O-])c(C)n1 ZINC000297469130 528125307 /nfs/dbraw/zinc/12/53/07/528125307.db2.gz KSNOYNVSOUPTTK-UHFFFAOYSA-N 1 0 311.386 1.488 20 5 DDBDRO CC[NH+](CC)[C@H]1CCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000330931257 528283435 /nfs/dbraw/zinc/28/34/35/528283435.db2.gz SQWJRHZIZFJMBQ-LBPRGKRZSA-N 1 0 323.397 1.469 20 5 DDBDRO CC[C@@H](C)[N@H+](C)CCNc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000736328796 598500403 /nfs/dbraw/zinc/50/04/03/598500403.db2.gz YQWQMIRDBOXPPV-SECBINFHSA-N 1 0 320.357 1.312 20 5 DDBDRO CC[N@@H+]1C[C@H](C)[C@H](Nc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC000821241150 606731306 /nfs/dbraw/zinc/73/13/06/606731306.db2.gz KGNQDKJJBORQJO-JOYOIKCWSA-N 1 0 317.353 1.527 20 5 DDBDRO Cc1nn(CN2CCC(C(N)=O)CC2)c2cc([N+](=O)[O-])ccc12 ZINC000121053695 696705746 /nfs/dbraw/zinc/70/57/46/696705746.db2.gz LLLOVTFLFSAVLA-UHFFFAOYSA-N 1 0 317.349 1.408 20 5 DDBDRO CC1CCC([NH+]2CCN(Cn3nccc3[N+](=O)[O-])CC2)CC1 ZINC000115514948 696665431 /nfs/dbraw/zinc/66/54/31/696665431.db2.gz SMEPPCJMXZDLDL-UHFFFAOYSA-N 1 0 307.398 1.945 20 5 DDBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](CCC3OCCO3)C2)nc1 ZINC000124994680 696748186 /nfs/dbraw/zinc/74/81/86/696748186.db2.gz YPVMMOLXMSUAON-LLVKDONJSA-N 1 0 308.338 1.239 20 5 DDBDRO [NH3+][C@@H]1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000125077369 696749367 /nfs/dbraw/zinc/74/93/67/696749367.db2.gz OJJXENMRXHXAOA-RKDXNWHRSA-N 1 0 317.342 1.282 20 5 DDBDRO C[C@H]([NH2+]CCOCCS(C)(=O)=O)c1ccc([N+](=O)[O-])cc1 ZINC000178658825 697427101 /nfs/dbraw/zinc/42/71/01/697427101.db2.gz XZISPNLMESUSET-NSHDSACASA-N 1 0 316.379 1.307 20 5 DDBDRO C[C@H]([NH3+])CCNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000178915167 697430822 /nfs/dbraw/zinc/43/08/22/697430822.db2.gz MWXSXMWFKNJIRJ-ZETCQYMHSA-N 1 0 307.759 1.264 20 5 DDBDRO C[C@@H]([NH2+]CC(=O)N1CCO[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000180442069 697448766 /nfs/dbraw/zinc/44/87/66/697448766.db2.gz DXPITZARENTOPK-VXGBXAGGSA-N 1 0 307.350 1.493 20 5 DDBDRO CCNS(=O)(=O)CC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000772979435 697700366 /nfs/dbraw/zinc/70/03/66/697700366.db2.gz RHKCXUWXPJUFKZ-LLVKDONJSA-N 1 0 315.395 1.493 20 5 DDBDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000775032273 697956258 /nfs/dbraw/zinc/95/62/58/697956258.db2.gz GJDKUCVKOVGYKY-NEPJUHHUSA-N 1 0 322.321 1.507 20 5 DDBDRO CCOC(=O)[C@H]1CCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776271807 698090094 /nfs/dbraw/zinc/09/00/94/698090094.db2.gz HKHOOXMNMGWFGO-ZFWWWQNUSA-N 1 0 322.361 1.903 20 5 DDBDRO Cc1ccc(C[NH2+][C@H](CC(N)=O)C2CCOCC2)cc1[N+](=O)[O-] ZINC000776934290 698147839 /nfs/dbraw/zinc/14/78/39/698147839.db2.gz GNSRSQSEJPJQOV-CQSZACIVSA-N 1 0 321.377 1.663 20 5 DDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCCS(=O)(=O)C2)cc1Cl ZINC000783636610 698863748 /nfs/dbraw/zinc/86/37/48/698863748.db2.gz VVJMSWOLSKIYKM-JTQLQIEISA-N 1 0 318.782 1.915 20 5 DDBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000420394112 699138898 /nfs/dbraw/zinc/13/88/98/699138898.db2.gz ABSWVUFZSMHLKD-WBMJQRKESA-N 1 0 318.377 1.750 20 5 DDBDRO C[NH+](C)C[C@@]1(O)CCN(c2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000713689341 699266715 /nfs/dbraw/zinc/26/67/15/699266715.db2.gz OTYYIJXSMZFFNG-LBPRGKRZSA-N 1 0 300.746 1.146 20 5 DDBDRO C[C@H]([NH2+][C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788665591 699332484 /nfs/dbraw/zinc/33/24/84/699332484.db2.gz PBVIHWKOZYBSKX-BQSGVUBFSA-N 1 0 318.377 1.837 20 5 DDBDRO O=C(NC[C@@H]1CCC[N@@H+](CC[N+](=O)[O-])C1)Nc1cccc(F)c1 ZINC000791055289 699609210 /nfs/dbraw/zinc/60/92/10/699609210.db2.gz RHVLJIFRZAPHGS-LBPRGKRZSA-N 1 0 324.356 1.936 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1CCC[C@H]1C ZINC000742237815 699868655 /nfs/dbraw/zinc/86/86/55/699868655.db2.gz PWVYBDFHSCSTBJ-LLVKDONJSA-N 1 0 307.350 1.818 20 5 DDBDRO CC(C)[N@H+](C)C[C@H](C)NC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000753030688 700402973 /nfs/dbraw/zinc/40/29/73/700402973.db2.gz VEYBTMWOQQVHLM-VIFPVBQESA-N 1 0 312.345 1.775 20 5 DDBDRO COC(=O)C[C@@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])C1CC1 ZINC000754541878 700510148 /nfs/dbraw/zinc/51/01/48/700510148.db2.gz UQOCHQAZLCUJPY-GFCCVEGCSA-N 1 0 308.334 1.905 20 5 DDBDRO COC(=O)/C=C\c1ccc(N[C@@H](CO)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000809341507 701659478 /nfs/dbraw/zinc/65/94/78/701659478.db2.gz SDYCSOQEHRRZKC-SMYYYNMVSA-N 1 0 323.349 1.115 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@H](CO)C1CC1 ZINC000763064214 700923513 /nfs/dbraw/zinc/92/35/13/700923513.db2.gz DTFUYKOBNATIQN-NOZJJQNGSA-N 1 0 323.349 1.291 20 5 DDBDRO CC[NH+]1CCN([C@@H](C)CNc2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000804348633 701181226 /nfs/dbraw/zinc/18/12/26/701181226.db2.gz CRIXYMCGXJWQIO-LBPRGKRZSA-N 1 0 307.398 1.615 20 5 DDBDRO C[NH+](C)CCOc1ccc(NC(=O)[C@@H]2CC2[N+](=O)[O-])cc1F ZINC000839796393 701829585 /nfs/dbraw/zinc/82/95/85/701829585.db2.gz DXEHRVXKUPOHIY-ZYHUDNBSSA-N 1 0 311.313 1.370 20 5 DDBDRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000830995903 706617522 /nfs/dbraw/zinc/61/75/22/706617522.db2.gz OEGRPIJZABAIEL-RDBSUJKOSA-N 1 0 308.334 1.560 20 5 DDBDRO COc1ccc(CC(=O)N[C@H](C)C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000868003005 701885785 /nfs/dbraw/zinc/88/57/85/701885785.db2.gz LTGDLMPQJVMMPP-LLVKDONJSA-N 1 0 321.377 1.650 20 5 DDBDRO COc1ccc(NC(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)cc1[N+](=O)[O-] ZINC000868145323 701962667 /nfs/dbraw/zinc/96/26/67/701962667.db2.gz PVENPKMKICIYEY-NWDGAFQWSA-N 1 0 320.349 1.962 20 5 DDBDRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000816767079 702187565 /nfs/dbraw/zinc/18/75/65/702187565.db2.gz ODLSTOPHTNDASM-TVQRCGJNSA-N 1 0 322.321 1.668 20 5 DDBDRO CNC(=O)c1ccc(N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)c([N+](=O)[O-])c1 ZINC000866205425 706647764 /nfs/dbraw/zinc/64/77/64/706647764.db2.gz LULDMJKBSFQFIX-OLZOCXBDSA-N 1 0 318.377 1.485 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(c3nc4sccn4c3[N+](=O)[O-])CC[C@@H]21 ZINC000866207488 706648989 /nfs/dbraw/zinc/64/89/89/706648989.db2.gz PMBFWAWYQMDZMM-ZJUUUORDSA-N 1 0 307.379 1.834 20 5 DDBDRO C[N@@H+]1CC[C@H]2CN(c3nc4sccn4c3[N+](=O)[O-])CC[C@@H]21 ZINC000866207486 706649199 /nfs/dbraw/zinc/64/91/99/706649199.db2.gz PMBFWAWYQMDZMM-UWVGGRQHSA-N 1 0 307.379 1.834 20 5 DDBDRO C[N@@H+]1CC[C@H]2CN(c3cc(N)c([N+](=O)[O-])c(CO)c3)CC[C@@H]21 ZINC000866210229 706649805 /nfs/dbraw/zinc/64/98/05/706649805.db2.gz ZTVKBWRTQQZKTQ-HZMBPMFUSA-N 1 0 306.366 1.200 20 5 DDBDRO Cc1cc(C(=O)N2CC[C@@H]3C[N@@H+](C)C[C@@H]32)c(N)c([N+](=O)[O-])c1 ZINC000816949336 702233143 /nfs/dbraw/zinc/23/31/43/702233143.db2.gz TUIPTCMYZSUVIR-MFKMUULPSA-N 1 0 304.350 1.262 20 5 DDBDRO CNC(=O)[C@H]1CC[N@H+](Cn2nc(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000817370098 702356583 /nfs/dbraw/zinc/35/65/83/702356583.db2.gz GTDSQGRWKGPMSZ-NSHDSACASA-N 1 0 317.349 1.278 20 5 DDBDRO C[NH2+]CCNC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000841162585 702371847 /nfs/dbraw/zinc/37/18/47/702371847.db2.gz WTGGPTIROHVFKM-UHFFFAOYSA-N 1 0 317.143 1.698 20 5 DDBDRO CS(=O)(=O)CC[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000841746876 702556246 /nfs/dbraw/zinc/55/62/46/702556246.db2.gz LVUOVEUTXHNBKU-CQSZACIVSA-N 1 0 312.391 1.997 20 5 DDBDRO CC(C)(CC[NH3+])NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000818020536 702556356 /nfs/dbraw/zinc/55/63/56/702556356.db2.gz BZLYISAKCGUMNU-UHFFFAOYSA-N 1 0 305.338 1.188 20 5 DDBDRO [NH3+]CCCCCCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000843050371 702808586 /nfs/dbraw/zinc/80/85/86/702808586.db2.gz JYGWSSPCJUSZQB-UHFFFAOYSA-N 1 0 308.338 1.169 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]Cc2ccccc2CO)cc1 ZINC000843069733 702812962 /nfs/dbraw/zinc/81/29/62/702812962.db2.gz RBBZSDFEOSTHTB-INIZCTEOSA-N 1 0 302.330 1.910 20 5 DDBDRO CSC[C@@H](CCO)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843082671 702815538 /nfs/dbraw/zinc/81/55/38/702815538.db2.gz DEOWRNDJDBHEKJ-DGCLKSJQSA-N 1 0 300.380 1.332 20 5 DDBDRO Cc1ccc(-c2noc(C[C@H]3C[NH2+]CCO3)n2)cc1[N+](=O)[O-] ZINC000843178438 702834515 /nfs/dbraw/zinc/83/45/15/702834515.db2.gz DADPPTXMJNPCEE-NSHDSACASA-N 1 0 304.306 1.484 20 5 DDBDRO [NH3+]C[C@@H]1CN(Cc2cc(F)ccc2[N+](=O)[O-])CC12CCOCC2 ZINC000843388617 702871424 /nfs/dbraw/zinc/87/14/24/702871424.db2.gz UIDAICMEYWSNPW-CYBMUJFWSA-N 1 0 323.368 1.921 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N[C@H]2CC[NH2+]C[C@@H]2C)cc1[N+](=O)[O-] ZINC000843471471 702888491 /nfs/dbraw/zinc/88/84/91/702888491.db2.gz VHUMNIQVEMIPPI-KWQFWETISA-N 1 0 322.321 1.539 20 5 DDBDRO CC[C@@H](CO)[NH2+]CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000844256660 703001540 /nfs/dbraw/zinc/00/15/40/703001540.db2.gz GACVHKTVKYCYPK-JTQLQIEISA-N 1 0 311.338 1.293 20 5 DDBDRO CC(C)(C)[N@@H+]1CC[C@H]1COC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000845741124 703195795 /nfs/dbraw/zinc/19/57/95/703195795.db2.gz RXVFZFAGAJTKQP-NSHDSACASA-N 1 0 310.354 1.597 20 5 DDBDRO CN(CC[NH+]1CCCCC1)C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000846612479 703303682 /nfs/dbraw/zinc/30/36/82/703303682.db2.gz VOGBHZOLEKMDMJ-OAHLLOKOSA-N 1 0 321.377 1.573 20 5 DDBDRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000848294117 703536948 /nfs/dbraw/zinc/53/69/48/703536948.db2.gz CTXZHNMPYJPUSD-DDTOSNHZSA-N 1 0 307.350 1.085 20 5 DDBDRO Cn1cc([C@H](O)C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])cn1 ZINC000848527951 703561246 /nfs/dbraw/zinc/56/12/46/703561246.db2.gz AUEMPUAATBJHMB-DZGCQCFKSA-N 1 0 302.334 1.639 20 5 DDBDRO [NH2+]=C(NCCNc1ccccc1[N+](=O)[O-])NC[C@H]1CCCO1 ZINC000848982716 703606402 /nfs/dbraw/zinc/60/64/02/703606402.db2.gz FNGOGZJDLBKBAP-LLVKDONJSA-N 1 0 307.354 1.300 20 5 DDBDRO COC[C@@H](C)NC(=[NH2+])NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000849081812 703616529 /nfs/dbraw/zinc/61/65/29/703616529.db2.gz NTBSAJLPRSEGSC-SNVBAGLBSA-N 1 0 319.365 1.767 20 5 DDBDRO COCC[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CCOCC1 ZINC000879710469 706767173 /nfs/dbraw/zinc/76/71/73/706767173.db2.gz ZEMDQNBFTMMEKG-MRXNPFEDSA-N 1 0 324.377 1.756 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[NH2+]CCC1(C)C ZINC000866700096 706768428 /nfs/dbraw/zinc/76/84/28/706768428.db2.gz RRUXSUQEZQHVJL-UHFFFAOYSA-N 1 0 320.393 1.916 20 5 DDBDRO CCO[C@H](CNC(=O)c1cc(C)ccc1[N+](=O)[O-])C[NH+](C)C ZINC000831745669 706769403 /nfs/dbraw/zinc/76/94/03/706769403.db2.gz UZUOAIIKYNYIRQ-GFCCVEGCSA-N 1 0 309.366 1.600 20 5 DDBDRO CCO[C@@H](CNC(=O)c1cc(C)cc([N+](=O)[O-])c1)C[NH+](C)C ZINC000831756742 706772436 /nfs/dbraw/zinc/77/24/36/706772436.db2.gz KVECYDKMMFLCPM-AWEZNQCLSA-N 1 0 309.366 1.600 20 5 DDBDRO CC1(C)OC[C@H](CC[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)O1 ZINC000851994690 703899433 /nfs/dbraw/zinc/89/94/33/703899433.db2.gz VZPZLEKYEVAIGI-ZDUSSCGKSA-N 1 0 324.381 1.970 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000818535993 703922099 /nfs/dbraw/zinc/92/20/99/703922099.db2.gz NCTKVULNHZSHRM-UHFFFAOYSA-N 1 0 314.345 1.729 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000818972940 704039189 /nfs/dbraw/zinc/03/91/89/704039189.db2.gz PHWLLUZTRRYJAF-BLLLJJGKSA-N 1 0 305.378 1.702 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@H]2CCN(CC3CC3)C2)c1 ZINC000819040288 704057233 /nfs/dbraw/zinc/05/72/33/704057233.db2.gz ZAQDOKWNMAOFQM-HOCLYGCPSA-N 1 0 305.378 1.702 20 5 DDBDRO CN(CC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC(F)(F)F ZINC000819053942 704060600 /nfs/dbraw/zinc/06/06/00/704060600.db2.gz IACHHPJGMIXSJS-GFCCVEGCSA-N 1 0 321.299 1.712 20 5 DDBDRO CC(C)(C)[S@@](=O)CC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819054794 704060677 /nfs/dbraw/zinc/06/06/77/704060677.db2.gz BOZXSKLQZYREFA-ZSEKCTLFSA-N 1 0 314.407 1.765 20 5 DDBDRO CCNC(=O)C(C)(C)C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819183100 704082798 /nfs/dbraw/zinc/08/27/98/704082798.db2.gz TZFSXKIDORIFEC-CYBMUJFWSA-N 1 0 309.366 1.380 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@H]1CCC=CO1 ZINC000819246696 704094509 /nfs/dbraw/zinc/09/45/09/704094509.db2.gz OYPRVTNZXDOLSC-CHWSQXEVSA-N 1 0 308.334 1.617 20 5 DDBDRO CS(=O)(=O)CCCC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819382653 704117836 /nfs/dbraw/zinc/11/78/36/704117836.db2.gz PRXGOMVGTWQOBD-ZDUSSCGKSA-N 1 0 316.379 1.043 20 5 DDBDRO COc1cccc(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)c1[N+](=O)[O-] ZINC000870974714 704187757 /nfs/dbraw/zinc/18/77/57/704187757.db2.gz OXGZXHTUUIERPH-ZSBIGDGJSA-N 1 0 319.361 1.864 20 5 DDBDRO CN(CC1C[NH+](C)C1)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000853553245 704267296 /nfs/dbraw/zinc/26/72/96/704267296.db2.gz LPRKALQKLOFHMC-UHFFFAOYSA-N 1 0 316.365 1.304 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(Cc2noc([C@H]3C[C@H]([NH3+])C3)n2)c1 ZINC000854153267 704362897 /nfs/dbraw/zinc/36/28/97/704362897.db2.gz JGKILLHIGCLHGN-MGCOHNPYSA-N 1 0 304.306 1.782 20 5 DDBDRO CCn1ncc(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)n1 ZINC000858444784 704711915 /nfs/dbraw/zinc/71/19/15/704711915.db2.gz RDYKDIZRJVWWFE-OLZOCXBDSA-N 1 0 319.369 1.676 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000874827079 705185453 /nfs/dbraw/zinc/18/54/53/705185453.db2.gz AXDOFSOVTYSJAD-ZIAGYGMSSA-N 1 0 319.361 1.912 20 5 DDBDRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000874828754 705187376 /nfs/dbraw/zinc/18/73/76/705187376.db2.gz HTYIKJFPUPURPI-STQMWFEESA-N 1 0 322.340 1.625 20 5 DDBDRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000874828752 705187447 /nfs/dbraw/zinc/18/74/47/705187447.db2.gz HTYIKJFPUPURPI-QWHCGFSZSA-N 1 0 322.340 1.625 20 5 DDBDRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000874850084 705202974 /nfs/dbraw/zinc/20/29/74/705202974.db2.gz NUJBKPZLAIGDOE-OLZOCXBDSA-N 1 0 304.350 1.486 20 5 DDBDRO O=C(NCCNc1ccc([N+](=O)[O-])cc1)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876564402 705760255 /nfs/dbraw/zinc/76/02/55/705760255.db2.gz SQBDWMGHFRJMIZ-MFKMUULPSA-N 1 0 310.329 1.071 20 5 DDBDRO C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000876657765 705805908 /nfs/dbraw/zinc/80/59/08/705805908.db2.gz JTIQSLAFKAYNMR-QADGWQRPSA-N 1 0 319.361 1.502 20 5 DDBDRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1c1ccc([N+](=O)[O-])cc1F ZINC000826677110 705843188 /nfs/dbraw/zinc/84/31/88/705843188.db2.gz IROUMKXSQYYWQK-SNVBAGLBSA-N 1 0 310.329 1.290 20 5 DDBDRO CC(C)(CCC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)[N+](=O)[O-] ZINC000826700619 705851121 /nfs/dbraw/zinc/85/11/21/705851121.db2.gz MIVGHCWDLTZTON-CYBMUJFWSA-N 1 0 313.398 1.003 20 5 DDBDRO O=C(c1c(F)cccc1[N+](=O)[O-])N1CCC2(C1)CC[NH2+]CC2 ZINC000876793029 705878860 /nfs/dbraw/zinc/87/88/60/705878860.db2.gz DPFQRURETRHGKR-UHFFFAOYSA-N 1 0 307.325 1.950 20 5 DDBDRO COc1ccc(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)cn1 ZINC000876919114 705923696 /nfs/dbraw/zinc/92/36/96/705923696.db2.gz QXTWVKPDFPOKHS-UHFFFAOYSA-N 1 0 303.322 1.688 20 5 DDBDRO COc1ncccc1C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000876925516 705926383 /nfs/dbraw/zinc/92/63/83/705926383.db2.gz JOADHKKZCXCSOU-UHFFFAOYSA-N 1 0 303.322 1.688 20 5 DDBDRO O=C1[C@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCN1C1CCC1 ZINC000863590169 705965509 /nfs/dbraw/zinc/96/55/09/705965509.db2.gz FFMSRUMXRBKZLE-HUUCEWRRSA-N 1 0 319.361 1.371 20 5 DDBDRO C[N@@H+]1CC[C@H]2CN(C(=O)c3c(N)cccc3[N+](=O)[O-])CC[C@H]21 ZINC000827290327 705969588 /nfs/dbraw/zinc/96/95/88/705969588.db2.gz SWEQCZYCCNCYMZ-CMPLNLGQSA-N 1 0 304.350 1.343 20 5 DDBDRO CC1(C)CC[C@@H](CNC(=O)COc2ccc([N+](=O)[O-])cc2)[NH2+]C1 ZINC000877157841 706001636 /nfs/dbraw/zinc/00/16/36/706001636.db2.gz VRWZVPIPEIWMPH-LBPRGKRZSA-N 1 0 321.377 1.868 20 5 DDBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000877167606 706004414 /nfs/dbraw/zinc/00/44/14/706004414.db2.gz DHKXLIMOFYQWMW-IUCAKERBSA-N 1 0 313.716 1.503 20 5 DDBDRO C[NH2+]C1(CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)CCC1 ZINC000863923311 706038687 /nfs/dbraw/zinc/03/86/87/706038687.db2.gz OJNABNMCPWYPNT-UHFFFAOYSA-N 1 0 322.321 1.683 20 5 DDBDRO COc1cc(C(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)ccc1[N+](=O)[O-] ZINC000877282329 706047334 /nfs/dbraw/zinc/04/73/34/706047334.db2.gz DBPFLVDSSMXUIJ-RYUDHWBXSA-N 1 0 305.334 1.570 20 5 DDBDRO CCO[C@@H]1COCC[C@H]1[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877344987 706073638 /nfs/dbraw/zinc/07/36/38/706073638.db2.gz SRUQEPWLEGRFJT-GVOSGWPFSA-N 1 0 310.354 1.278 20 5 DDBDRO [NH3+]C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C(F)(F)F ZINC000877371163 706083718 /nfs/dbraw/zinc/08/37/18/706083718.db2.gz MKILEYQDEWJFBC-KOLCDFICSA-N 1 0 317.267 1.804 20 5 DDBDRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)CNc1ccccc1[N+](=O)[O-])C2 ZINC000877377302 706086342 /nfs/dbraw/zinc/08/63/42/706086342.db2.gz GQXOSAXPUMNDND-XHDPSFHLSA-N 1 0 304.350 1.075 20 5 DDBDRO Cn1cc(CCCN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)cn1 ZINC000877522653 706131611 /nfs/dbraw/zinc/13/16/11/706131611.db2.gz RAONHTRTWMYTHY-UHFFFAOYSA-N 1 0 303.366 1.726 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)c1 ZINC000872218903 707334240 /nfs/dbraw/zinc/33/42/40/707334240.db2.gz BSMZLRMPDDGXBZ-GFBOILITSA-N 1 0 304.346 1.641 20 5 DDBDRO CC(C)(C)N1CC[C@@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000877621803 706162144 /nfs/dbraw/zinc/16/21/44/706162144.db2.gz AHJVXMOSMHHAIR-PNESKVBLSA-N 1 0 307.398 1.957 20 5 DDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]CC3SCCS3)C2)c1 ZINC000877638943 706166263 /nfs/dbraw/zinc/16/62/63/706166263.db2.gz SXNFAJOZJCUJGS-UHFFFAOYSA-N 1 0 300.409 1.891 20 5 DDBDRO Cc1ccc(O[C@@H]2CCN(Cc3cn(C)nc3[N+](=O)[O-])C2)nc1 ZINC000877657195 706172223 /nfs/dbraw/zinc/17/22/23/706172223.db2.gz ARPZARQTSYHPGZ-CYBMUJFWSA-N 1 0 317.349 1.685 20 5 DDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@H]3CCCn4nccc43)C2)c1 ZINC000877778389 706207845 /nfs/dbraw/zinc/20/78/45/706207845.db2.gz OBRNQNOULBGXDT-XIVSLSHWSA-N 1 0 302.338 1.816 20 5 DDBDRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000864616152 706213973 /nfs/dbraw/zinc/21/39/73/706213973.db2.gz LQTFEGCTXPKXNF-BDAKNGLRSA-N 1 0 315.276 1.515 20 5 DDBDRO C[N@H+](CCn1nc([N+](=O)[O-])cc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000829838046 706404893 /nfs/dbraw/zinc/40/48/93/706404893.db2.gz QXSQNMVHHPVJSL-UHFFFAOYSA-N 1 0 323.284 1.971 20 5 DDBDRO O=C1[C@@H]([N@@H+]2CC[C@H](CF)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000880296672 706932020 /nfs/dbraw/zinc/93/20/20/706932020.db2.gz FSVYVZSPYRBSOS-RISCZKNCSA-N 1 0 307.325 1.992 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@@H]1CCOC[C@H]1OC ZINC000880425999 706970276 /nfs/dbraw/zinc/97/02/76/706970276.db2.gz RFROUJYYEIGOJR-UKRRQHHQSA-N 1 0 310.350 1.839 20 5 DDBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000832976320 706998889 /nfs/dbraw/zinc/99/88/89/706998889.db2.gz ZHVXLQBETNKYLX-SWLSCSKDSA-N 1 0 323.393 1.865 20 5 DDBDRO O=C1NCC[C@@H]2CCC[N@@H+](CCc3ccc([N+](=O)[O-])cc3)[C@H]12 ZINC000880529348 707005686 /nfs/dbraw/zinc/00/56/86/707005686.db2.gz KXXXSLPMKUJTRF-ZFWWWQNUSA-N 1 0 303.362 1.738 20 5 DDBDRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000834637280 707097132 /nfs/dbraw/zinc/09/71/32/707097132.db2.gz XEAVGJIRXRFJRS-GXFFZTMASA-N 1 0 317.349 1.059 20 5 DDBDRO C[C@H]([NH2+]C[C@@H]1CCCN1CCCO)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834851559 707138780 /nfs/dbraw/zinc/13/87/80/707138780.db2.gz ZNSKQJCHWGVXDI-JSGCOSHPSA-N 1 0 322.409 1.674 20 5 DDBDRO C[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CCC1(C)C ZINC000881388045 707228113 /nfs/dbraw/zinc/22/81/13/707228113.db2.gz FINKBJCIBGHTNU-UHFFFAOYSA-N 1 0 308.338 1.252 20 5 DDBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](O)c1ccnn1C ZINC000927131445 712945707 /nfs/dbraw/zinc/94/57/07/712945707.db2.gz IPGPGDJRZJGGNP-MLGOLLRUSA-N 1 0 318.377 1.973 20 5 DDBDRO CC(C)[N@@H+]1CCCC[C@@H]1COC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000837414254 707641077 /nfs/dbraw/zinc/64/10/77/707641077.db2.gz RYZCAMDXZOZNTQ-GFCCVEGCSA-N 1 0 310.354 1.597 20 5 DDBDRO C[N@@H+]1C[C@@H]2CN(c3ccc([N+](=O)[O-])c(C(N)=O)c3)C[C@]2(C)C1 ZINC000896912391 708180470 /nfs/dbraw/zinc/18/04/70/708180470.db2.gz WDMFKQYQGRDSDI-BMIGLBTASA-N 1 0 304.350 1.082 20 5 DDBDRO Cn1nccc1[C@H](O)C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000897301426 708284294 /nfs/dbraw/zinc/28/42/94/708284294.db2.gz JBVWCQVFIBAVEH-CYBMUJFWSA-N 1 0 310.741 1.805 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@H]([NH+](C)C)C12CCC2 ZINC000912600347 713042864 /nfs/dbraw/zinc/04/28/64/713042864.db2.gz OZVIUWSFNXDKOV-STQMWFEESA-N 1 0 306.366 1.536 20 5 DDBDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2Cc1cccnc1[N+](=O)[O-] ZINC000886081776 708694553 /nfs/dbraw/zinc/69/45/53/708694553.db2.gz XNKANCAKXJRHQN-KFWWJZLASA-N 1 0 320.393 1.673 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H](c2ncccn2)C1 ZINC000886689774 708814458 /nfs/dbraw/zinc/81/44/58/708814458.db2.gz HNFJTXSIDPWHQV-CYBMUJFWSA-N 1 0 316.365 1.769 20 5 DDBDRO CC[N@@H+]1CCCN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000910269078 709853339 /nfs/dbraw/zinc/85/33/39/709853339.db2.gz DSOGJLVYQBLFKU-DOMZBBRYSA-N 1 0 321.377 1.571 20 5 DDBDRO C[NH+](C)C[C@H](O)CNc1c2cccc(Cl)c2ncc1[N+](=O)[O-] ZINC000891746318 710282881 /nfs/dbraw/zinc/28/28/81/710282881.db2.gz SNHLBKITKKAARP-SECBINFHSA-N 1 0 324.768 1.553 20 5 DDBDRO COc1cc([N+](=O)[O-])cnc1N1C[C@@H](SC)[C@@H]([NH+](C)C)C1 ZINC000893002881 710539859 /nfs/dbraw/zinc/53/98/59/710539859.db2.gz WLCUSIFNSSYSKK-CMPLNLGQSA-N 1 0 312.395 1.480 20 5 DDBDRO C[NH+](C)C1(C)CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000913392964 713207567 /nfs/dbraw/zinc/20/75/67/713207567.db2.gz HBYWYNDQEZPOAG-UHFFFAOYSA-N 1 0 308.338 1.252 20 5 DDBDRO COc1cc([C@@H](C)[NH2+][C@H](C)CN2CCOCC2)cc([N+](=O)[O-])c1 ZINC000903069461 711022846 /nfs/dbraw/zinc/02/28/46/711022846.db2.gz WCKLMBFPRFWKAI-CHWSQXEVSA-N 1 0 323.393 1.975 20 5 DDBDRO COc1cc([C@@H](C)[NH2+][C@H](C)Cn2cncn2)cc([N+](=O)[O-])c1 ZINC000903083152 711027033 /nfs/dbraw/zinc/02/70/33/711027033.db2.gz AEVWOLKCTHSYRO-GHMZBOCLSA-N 1 0 305.338 1.934 20 5 DDBDRO COc1cc([C@H](C)[NH2+]C[C@@]2(O)CCO[C@H]2C)cc([N+](=O)[O-])c1 ZINC000903160217 711051566 /nfs/dbraw/zinc/05/15/66/711051566.db2.gz VHPRNXRANOVTIK-PGUXBMHVSA-N 1 0 310.350 1.794 20 5 DDBDRO COc1cc([C@H](C)[NH2+]C[C@@H]2COCCN2C)cc([N+](=O)[O-])c1 ZINC000903205859 711064178 /nfs/dbraw/zinc/06/41/78/711064178.db2.gz GHJGRCVSMAXDFW-SMDDNHRTSA-N 1 0 309.366 1.585 20 5 DDBDRO [NH3+]CCN(Cc1cnn(CCF)c1)c1ccc([N+](=O)[O-])cc1 ZINC000894454401 711127973 /nfs/dbraw/zinc/12/79/73/711127973.db2.gz RXZUGXYDGMKCBO-UHFFFAOYSA-N 1 0 307.329 1.726 20 5 DDBDRO C[C@@H](N[C@@H]1CC[NH2+]C12CCC2)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000903465276 711134849 /nfs/dbraw/zinc/13/48/49/711134849.db2.gz GRZLTUQKGQCLKJ-BXUZGUMPSA-N 1 0 318.377 1.796 20 5 DDBDRO COc1ccc(OCCN2CC[C@@H]3CC[C@]32C[NH3+])c([N+](=O)[O-])c1 ZINC000903855082 711303958 /nfs/dbraw/zinc/30/39/58/711303958.db2.gz LGTDNVWTMXXQGX-LRDDRELGSA-N 1 0 321.377 1.795 20 5 DDBDRO CN1CCN(c2cccc(C(F)(F)F)c2[N+](=O)[O-])C[C@@H]1CO ZINC000894881214 711306980 /nfs/dbraw/zinc/30/69/80/711306980.db2.gz LMBMWOMIJGWTAN-SECBINFHSA-N 1 0 319.283 1.726 20 5 DDBDRO CN(CC(=O)N1[C@@H]2CC[C@H]1C[N@@H+](C)C2)c1ccccc1[N+](=O)[O-] ZINC000913536654 713248670 /nfs/dbraw/zinc/24/86/70/713248670.db2.gz GLRRQDHUBXUOGH-BETUJISGSA-N 1 0 318.377 1.336 20 5 DDBDRO C[C@@H](Nc1nc2sccn2c1[N+](=O)[O-])[C@H]1C[N@H+](C)CCN1C ZINC000895247160 711464779 /nfs/dbraw/zinc/46/47/79/711464779.db2.gz FEOHBFKRLSFPLT-NXEZZACHSA-N 1 0 324.410 1.350 20 5 DDBDRO COC(=O)c1ccnc(N2CC[C@H](CC[NH+](C)C)C2)c1[N+](=O)[O-] ZINC000895322111 711483796 /nfs/dbraw/zinc/48/37/96/711483796.db2.gz YTVVGLPBJURIBY-NSHDSACASA-N 1 0 322.365 1.554 20 5 DDBDRO COC[C@H]1C[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000895623389 711562409 /nfs/dbraw/zinc/56/24/09/711562409.db2.gz PXJPRXVTZGTMMT-XBXGTLAGSA-N 1 0 320.393 1.973 20 5 DDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C[C@@H]2C=CCC2)cc1 ZINC000905417438 712032610 /nfs/dbraw/zinc/03/26/10/712032610.db2.gz MCKRIZBLMGATPF-GFCCVEGCSA-N 1 0 310.375 1.924 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000905659808 712109610 /nfs/dbraw/zinc/10/96/10/712109610.db2.gz SBUQDSBEMCHFQO-OTSLLENHSA-N 1 0 320.345 1.100 20 5 DDBDRO O=[N+]([O-])c1ccc2c(cnn2C[N@@H+]2CC[C@H](C3OCCO3)C2)c1 ZINC000905696098 712121688 /nfs/dbraw/zinc/12/16/88/712121688.db2.gz SYZMCVHPUZKARB-NSHDSACASA-N 1 0 318.333 1.597 20 5 DDBDRO C[C@H](C[NH2+]C1CC[NH+](CC(=O)[O-])CC1)c1ccccc1[N+](=O)[O-] ZINC000905776201 712144344 /nfs/dbraw/zinc/14/43/44/712144344.db2.gz PUCAPPRCAZVFQM-GFCCVEGCSA-N 1 0 321.377 1.837 20 5 DDBDRO O=C(NC[C@@H]1CCCC[NH2+]1)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000906633012 712374851 /nfs/dbraw/zinc/37/48/51/712374851.db2.gz DAVNRKVWIAJUOJ-AEGPPILISA-N 1 0 303.362 1.957 20 5 DDBDRO C[N@@H+]1CCCN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000915278107 713415165 /nfs/dbraw/zinc/41/51/65/713415165.db2.gz KMQMPQQXHRXGIR-UHFFFAOYSA-N 1 0 317.349 1.109 20 5 DDBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](CCO[C@@H]3CCOC3)C2)nc1 ZINC000929988907 713730069 /nfs/dbraw/zinc/73/00/69/713730069.db2.gz OOYWMASFHLUNNZ-GXTWGEPZSA-N 1 0 322.365 1.282 20 5 DDBDRO C[N@@H+]1CC[C@H](CNC(=O)CCc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000930362937 713814300 /nfs/dbraw/zinc/81/43/00/713814300.db2.gz BRWGXFRXUQWHDD-LLVKDONJSA-N 1 0 309.341 1.734 20 5 DDBDRO O=[N+]([O-])CCN1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000930454231 713839369 /nfs/dbraw/zinc/83/93/69/713839369.db2.gz FLSUVLVKSSZZDJ-KRWDZBQOSA-N 1 0 318.421 1.155 20 5 DDBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000930619918 713879070 /nfs/dbraw/zinc/87/90/70/713879070.db2.gz ZPZWSVKSWRVXGZ-GFCCVEGCSA-N 1 0 321.381 1.607 20 5 DDBDRO COc1ccc(NC(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000930770128 713915985 /nfs/dbraw/zinc/91/59/85/713915985.db2.gz VUFUOCDWENYWIM-GWCFXTLKSA-N 1 0 320.349 1.771 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CC[N@@H+]1C ZINC000931261542 714050793 /nfs/dbraw/zinc/05/07/93/714050793.db2.gz BBMUBXWZNBGAGJ-LLVKDONJSA-N 1 0 308.338 1.819 20 5 DDBDRO C[NH2+]C1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000923285665 714297848 /nfs/dbraw/zinc/29/78/48/714297848.db2.gz CMTLHLMAZRGVRU-CYBMUJFWSA-N 1 0 309.366 1.018 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCN(CCC[NH2+]C3CC3)CC2)cn1 ZINC000923305623 714304679 /nfs/dbraw/zinc/30/46/79/714304679.db2.gz YPRJWKXESFSYFE-UHFFFAOYSA-N 1 0 305.382 1.254 20 5 DDBDRO C[C@@H]1C[NH2+]C[C@H](C)N1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000923335049 714319004 /nfs/dbraw/zinc/31/90/04/714319004.db2.gz ZZOPXIROPLDNSP-MBNYWOFBSA-N 1 0 309.366 1.017 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)CN2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000923365521 714329306 /nfs/dbraw/zinc/32/93/06/714329306.db2.gz FPXUHMOQXRDEPK-JKSUJKDBSA-N 1 0 305.378 1.704 20 5 DDBDRO O=[N+]([O-])c1ccccc1OCCN1CCC[C@@H]([NH2+]CCO)C1 ZINC000923403329 714344080 /nfs/dbraw/zinc/34/40/80/714344080.db2.gz DTDJRRWQCCTHSY-CYBMUJFWSA-N 1 0 309.366 1.020 20 5 DDBDRO COC(=O)[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@H](C)C1 ZINC000933171762 714527249 /nfs/dbraw/zinc/52/72/49/714527249.db2.gz YQOZCRGCNHZXQS-VXGBXAGGSA-N 1 0 323.349 1.030 20 5 DDBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Cn2c(C)ncc2[N+](=O)[O-])[C@@H](C)C1 ZINC000933440019 714589714 /nfs/dbraw/zinc/58/97/14/714589714.db2.gz XDMBIQLHULEGAH-AAEUAGOBSA-N 1 0 323.397 1.288 20 5 DDBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1C(=O)N[C@@H](C[NH+](C)C)C1=O ZINC000924528852 714604953 /nfs/dbraw/zinc/60/49/53/714604953.db2.gz JXSAHGVFMDWRHL-KOLCDFICSA-N 1 0 306.322 1.138 20 5 DDBDRO COc1ccc(NC(=O)CN(C)[C@@H]2CC[C@@H]2OC)c([N+](=O)[O-])c1 ZINC000934121147 714747261 /nfs/dbraw/zinc/74/72/61/714747261.db2.gz KOUPFODPQIFTKG-OCCSQVGLSA-N 1 0 323.349 1.651 20 5 DDBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@H]2CCOC23CCOCC3)cc1 ZINC000925382784 714836508 /nfs/dbraw/zinc/83/65/08/714836508.db2.gz NERRTSSYALPEIC-HNNXBMFYSA-N 1 0 322.361 1.901 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C2(C3CCCCC3)CC2)c1 ZINC000934786758 714901922 /nfs/dbraw/zinc/90/19/22/714901922.db2.gz DGBVXXGMCBYLHS-CQSZACIVSA-N 1 0 308.382 1.855 20 5 DDBDRO CC[N@@H+](Cc1c([N+](=O)[O-])ncn1C)CC1CCN(C(C)=O)CC1 ZINC000957654250 715986222 /nfs/dbraw/zinc/98/62/22/715986222.db2.gz PXCJKOWGFJOYLQ-UHFFFAOYSA-N 1 0 323.397 1.409 20 5 DDBDRO CC(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC[C@@H]2C1 ZINC000946589294 718844211 /nfs/dbraw/zinc/84/42/11/718844211.db2.gz QHIFIMVNWCLTGW-LXTVHRRPSA-N 1 0 309.410 1.478 20 5 DDBDRO C[N@@H+]1CCO[C@@H]2CN(c3nccc4ccc([N+](=O)[O-])cc43)C[C@H]21 ZINC001164674828 719426228 /nfs/dbraw/zinc/42/62/28/719426228.db2.gz XOBFLWRFKXMHKS-HUUCEWRRSA-N 1 0 314.345 1.662 20 5 DDBDRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1ncc(F)cc1[N+](=O)[O-] ZINC001164932538 721853741 /nfs/dbraw/zinc/85/37/41/721853741.db2.gz YWSUYKXQWMYCHI-CHWSQXEVSA-N 1 0 323.372 1.344 20 5 DDBDRO CC[NH+](CC)C1CCN(c2ncc([N+](=O)[O-])c(OC)n2)CC1 ZINC001165052604 722000181 /nfs/dbraw/zinc/00/01/81/722000181.db2.gz VUPCTPLKVZRWGY-UHFFFAOYSA-N 1 0 309.370 1.704 20 5 DDBDRO Cc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cc1F ZINC001022064073 734368607 /nfs/dbraw/zinc/36/86/07/734368607.db2.gz UPTUODPBIMLATB-QVHKTLOISA-N 1 0 321.352 1.536 20 5 DDBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2cccc(Cl)n2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001022064071 734368726 /nfs/dbraw/zinc/36/87/26/734368726.db2.gz UOBVKRAVOMEHDP-WRWGMCAJSA-N 1 0 324.768 1.137 20 5 DDBDRO O=C(C[NH+]1CCCC1)N[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC001059233483 740437996 /nfs/dbraw/zinc/43/79/96/740437996.db2.gz KPERUFGTAQNZOZ-HAQNSBGRSA-N 1 0 319.365 1.145 20 5 DDBDRO Cc1cn(C)nc1C(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001126948849 742988428 /nfs/dbraw/zinc/98/84/28/742988428.db2.gz JLWJKZJYZWKEJB-UHFFFAOYSA-N 1 0 317.349 1.156 20 5 DDBDRO Cc1ncc(C[NH+]2CCC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)s1 ZINC001002783480 743425077 /nfs/dbraw/zinc/42/50/77/743425077.db2.gz TYGHTTOVMWGGMR-CHWSQXEVSA-N 1 0 324.406 1.197 20 5 DDBDRO CC1(C)CCC(C[NH+]2CC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1 ZINC001030292302 744025306 /nfs/dbraw/zinc/02/53/06/744025306.db2.gz BXCXOFDGCMXJHC-ZIAGYGMSSA-N 1 0 309.410 1.668 20 5 DDBDRO COCCN(CCOC)C1CN(c2ncc(C)cc2[N+](=O)[O-])C1 ZINC001120943582 744569643 /nfs/dbraw/zinc/56/96/43/744569643.db2.gz IEIDTTQCLJQGQL-UHFFFAOYSA-N 1 0 324.381 1.082 20 5 DDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([NH2+]C/C(Cl)=C\Cl)CC1 ZINC001200470897 748264699 /nfs/dbraw/zinc/26/46/99/748264699.db2.gz AFTIQLZYHFMROL-AQKAQLFCSA-N 1 0 322.192 1.551 20 5 DDBDRO O=C(C[NH+]1CCCC1)NC/C=C\CNc1ccc([N+](=O)[O-])cc1 ZINC001107200293 749570351 /nfs/dbraw/zinc/57/03/51/749570351.db2.gz ITPAEVCLFCRKNC-UPHRSURJSA-N 1 0 318.377 1.775 20 5 DDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([NH2+]Cc2ccc(F)cc2)CC1 ZINC000996428423 749586001 /nfs/dbraw/zinc/58/60/01/749586001.db2.gz CFKDWLJEATUCFR-HUUCEWRRSA-N 1 0 321.352 1.572 20 5 DDBDRO CCOc1cc([N+](=O)[O-])ccc1-n1cc2c(n1)CC[C@H]([NH3+])C2 ZINC001168817595 762028589 /nfs/dbraw/zinc/02/85/89/762028589.db2.gz XUCLBXMJBUZYQI-NSHDSACASA-N 1 0 302.334 1.995 20 5 DDBDRO COc1cc(-n2cc3c(n2)CC[C@@H]([NH3+])C3)cc([N+](=O)[O-])c1C ZINC001168820140 762069581 /nfs/dbraw/zinc/06/95/81/762069581.db2.gz IQYZVDZCTWOACW-LLVKDONJSA-N 1 0 302.334 1.914 20 5 DDBDRO [NH3+]CCc1cnn(-c2ncc(F)c3cc([N+](=O)[O-])ccc32)c1 ZINC001168947597 762137023 /nfs/dbraw/zinc/13/70/23/762137023.db2.gz ZJMPXRKYWGSYAY-UHFFFAOYSA-N 1 0 301.281 1.969 20 5 DDBDRO [NH3+]Cc1cccc(-c2nnn([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)n2)c1 ZINC001168979190 762148048 /nfs/dbraw/zinc/14/80/48/762148048.db2.gz WZTWBBGHSASIQR-DGCLKSJQSA-N 1 0 302.338 1.417 20 5 DDBDRO COCCOc1ccc(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)cn1 ZINC001168984611 762152195 /nfs/dbraw/zinc/15/21/95/762152195.db2.gz PAQCKXFERDMNEX-JSGCOSHPSA-N 1 0 309.366 1.642 20 5 DDBDRO O=C(N1CCCC1)N1CCC([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168968071 762158543 /nfs/dbraw/zinc/15/85/43/762158543.db2.gz VGIMVFPXZKRMEW-DZGCQCFKSA-N 1 0 324.425 1.702 20 5 DDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CCN(CCc3ccccn3)CC2)C1 ZINC001169027421 762183458 /nfs/dbraw/zinc/18/34/58/762183458.db2.gz PKSRSXRYQWTLNO-RDJZCZTQSA-N 1 0 318.421 1.687 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H](N(c2cnccn2)C2CC[NH2+]CC2)C1 ZINC001169042151 762195825 /nfs/dbraw/zinc/19/58/25/762195825.db2.gz DENVFXDJJFDKFW-TZMCWYRMSA-N 1 0 305.382 1.480 20 5 DDBDRO CCN1CC[C@@]2(C[N@@H+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@@H]2C)C1=O ZINC001169025836 762203644 /nfs/dbraw/zinc/20/36/44/762203644.db2.gz ZGHNKMYSVBISMA-FQLMCAECSA-N 1 0 309.410 1.622 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CC[C@@H](Oc3ncc(F)cn3)C2)C1 ZINC001169054389 762210216 /nfs/dbraw/zinc/21/02/16/762210216.db2.gz LTEJMGNVMCYJCB-RAIGVLPGSA-N 1 0 310.329 1.514 20 5 DDBDRO O=[N+]([O-])c1ccc(C(F)(F)N2C[C@H]3C[NH2+][C@H]3C2)nc1Cl ZINC001165195294 756920469 /nfs/dbraw/zinc/92/04/69/756920469.db2.gz WVECEQISUIQWMY-RQJHMYQMSA-N 1 0 304.684 1.596 20 5 DDBDRO CC(C)c1ocnc1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001020138842 760613039 /nfs/dbraw/zinc/61/30/39/760613039.db2.gz DEMQSTDHLRWXOH-PRULPYPASA-N 1 0 322.365 1.200 20 5 DDBDRO CCCN(CCC)c1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001155179771 760769390 /nfs/dbraw/zinc/76/93/90/760769390.db2.gz TVQBKOMYISWXNT-UHFFFAOYSA-N 1 0 308.386 1.421 20 5 DDBDRO CCOc1cnc(-n2nnc3ccc(C[NH3+])cc32)c([N+](=O)[O-])c1 ZINC001170016554 763965501 /nfs/dbraw/zinc/96/55/01/763965501.db2.gz GMBOOQSMEOTMPJ-UHFFFAOYSA-N 1 0 314.305 1.581 20 5 DDBDRO COC(=O)c1c(C)c([N+](=O)[O-])ccc1NC[C@H]1COCC[NH2+]1 ZINC001170047547 764393297 /nfs/dbraw/zinc/39/32/97/764393297.db2.gz NGKAAMGZNDOZCX-JTQLQIEISA-N 1 0 309.322 1.090 20 5 DDBDRO COCCOCC[NH2+][C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170305511 766231193 /nfs/dbraw/zinc/23/11/93/766231193.db2.gz MDNMJTXYTIXRTN-GFCCVEGCSA-N 1 0 312.366 1.787 20 5 DDBDRO COc1ccc(C[C@H](C)[NH2+][C@H]2CCCN(C)C2=O)c([N+](=O)[O-])c1 ZINC001170312205 766244520 /nfs/dbraw/zinc/24/45/20/766244520.db2.gz DQADKCQGSPVJKT-FZMZJTMJSA-N 1 0 321.377 1.745 20 5 DDBDRO COc1ccc(C[C@@H](C)[NH2+][C@H]2CCC(=O)NC2)c([N+](=O)[O-])c1 ZINC001170307839 766259496 /nfs/dbraw/zinc/25/94/96/766259496.db2.gz ISDLGDMPPQKENN-PWSUYJOCSA-N 1 0 307.350 1.403 20 5 DDBDRO CCOC(=O)c1ccc(NCCN(C)CC[NH3+])c([N+](=O)[O-])c1 ZINC001170502954 767616146 /nfs/dbraw/zinc/61/61/46/767616146.db2.gz WDQZNLOBYVMICV-UHFFFAOYSA-N 1 0 310.354 1.074 20 5 DDBDRO CC(C)=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 ZINC001048525291 769492550 /nfs/dbraw/zinc/49/25/50/769492550.db2.gz SMBAJYRTAVVBNC-YIDVYQOGSA-N 1 0 321.421 1.977 20 5 DDBDRO O=C(CC1=CCOCC1)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001133398928 769769418 /nfs/dbraw/zinc/76/94/18/769769418.db2.gz UVHUHBSBURZHIY-UHFFFAOYSA-N 1 0 319.361 1.537 20 5 DDBDRO Cc1ccn(CC(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])n1 ZINC001134006271 770540843 /nfs/dbraw/zinc/54/08/43/770540843.db2.gz NNXUTYLCRYQVHE-UHFFFAOYSA-N 1 0 317.349 1.006 20 5 DDBDRO C[NH+](C)CCC(=O)NC[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC001091397704 772720962 /nfs/dbraw/zinc/72/09/62/772720962.db2.gz OXDDWJQEFOAEHF-TXEJJXNPSA-N 1 0 321.381 1.248 20 5 DDBDRO Cc1cc(NCCNC(=O)COCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC001093750359 775053205 /nfs/dbraw/zinc/05/32/05/775053205.db2.gz XMNINIWZTKOAGD-UHFFFAOYSA-N 1 0 324.381 1.010 20 5 DDBDRO CCC[N@H+](C)CC(=O)NCCNc1cc(C)c([N+](=O)[O-])cn1 ZINC001093787420 775078131 /nfs/dbraw/zinc/07/81/31/775078131.db2.gz CBCXAVPCXYAGOB-UHFFFAOYSA-N 1 0 309.370 1.168 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+]2CC[C@@H](CO)C2)c1F ZINC001173188881 777036327 /nfs/dbraw/zinc/03/63/27/777036327.db2.gz HPOYHAGYPWJTRD-GHMZBOCLSA-N 1 0 312.341 1.988 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CC[C@@H](CO)C2)c1F ZINC001173188892 777036741 /nfs/dbraw/zinc/03/67/41/777036741.db2.gz HPOYHAGYPWJTRD-WDEREUQCSA-N 1 0 312.341 1.988 20 5 DDBDRO COCC[NH+]1CCN([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173220665 777053527 /nfs/dbraw/zinc/05/35/27/777053527.db2.gz BTJQXFVHDRBTEV-AWEZNQCLSA-N 1 0 307.394 1.790 20 5 DDBDRO Cc1nc(NCCN(C)C(=O)CC[NH+](C)C)ccc1[N+](=O)[O-] ZINC001101926934 777688015 /nfs/dbraw/zinc/68/80/15/777688015.db2.gz GUOHVYVBNXSQEK-UHFFFAOYSA-N 1 0 309.370 1.120 20 5 DDBDRO Cc1c(CC(=O)NCc2cnc3n2CCC3)cccc1[N+](=O)[O-] ZINC001177740627 778718065 /nfs/dbraw/zinc/71/80/65/778718065.db2.gz WCDGMQMTDSRZQH-UHFFFAOYSA-N 1 0 314.345 1.905 20 5 DDBDRO C[N@@H+]1C[C@H](NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])C(C)(C)C1 ZINC001178709318 779154451 /nfs/dbraw/zinc/15/44/51/779154451.db2.gz MDOBQLYLOGHHHL-ZDUSSCGKSA-N 1 0 309.341 1.733 20 5 DDBDRO Cc1cc(C[N@@H+](CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C(C)C)on1 ZINC001267257758 837680450 /nfs/dbraw/zinc/68/04/50/837680450.db2.gz SSYPYHFWJUQHTC-ZIAGYGMSSA-N 1 0 324.381 1.365 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccccc1Br ZINC001225198282 840260798 /nfs/dbraw/zinc/26/07/98/840260798.db2.gz ZHJYZELIDPDOES-SNVBAGLBSA-N 1 0 317.203 1.812 20 5 DDBDRO CN(CCC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)c1cnon1 ZINC001268889414 840950718 /nfs/dbraw/zinc/95/07/18/840950718.db2.gz MXNMPLRIVRIPNG-UHFFFAOYSA-N 1 0 319.321 1.230 20 5 DDBDRO O=C(Cn1cccn1)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001154607660 861272422 /nfs/dbraw/zinc/27/24/22/861272422.db2.gz BCKYRPNXTOJHQX-UHFFFAOYSA-N 1 0 317.349 1.087 20 5 DDBDRO C[NH2+][C@H](C)CCNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000124264479 861278058 /nfs/dbraw/zinc/27/80/58/861278058.db2.gz YIUDHWCOQDMIHS-MRVPVSSYSA-N 1 0 305.331 1.010 20 5 DDBDRO C[NH+](C)CC[C@H]1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC001154643131 861314826 /nfs/dbraw/zinc/31/48/26/861314826.db2.gz JABWBQLQQFPSJT-NSHDSACASA-N 1 0 306.366 1.591 20 5 DDBDRO C[NH+](C)C[C@@H]1COCCN1c1cc(Cl)ncc1[N+](=O)[O-] ZINC001154970294 861611354 /nfs/dbraw/zinc/61/13/54/861611354.db2.gz VKSVCUKEMBOYSR-SECBINFHSA-N 1 0 300.746 1.410 20 5 DDBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC001154986570 861622288 /nfs/dbraw/zinc/62/22/88/861622288.db2.gz SUGANNQLZPZGIL-NXEZZACHSA-N 1 0 308.338 1.848 20 5 DDBDRO COC(=O)c1ccnc(NC[C@@H]2CCC[NH2+]C[C@H]2C)c1[N+](=O)[O-] ZINC001155026823 861658765 /nfs/dbraw/zinc/65/87/65/861658765.db2.gz VUYOPCBWPZNKKN-MNOVXSKESA-N 1 0 322.365 1.824 20 5 DDBDRO [NH3+]Cc1ccnn1-c1nc(Cl)nc2ccc([N+](=O)[O-])cc21 ZINC001155125484 861757491 /nfs/dbraw/zinc/75/74/91/861757491.db2.gz PKEGWAQGEGVEGF-UHFFFAOYSA-N 1 0 304.697 1.836 20 5 DDBDRO COC(=O)[C@@H]([NH3+])C1CCN(c2ncc(C)cc2[N+](=O)[O-])CC1 ZINC001155154300 861778640 /nfs/dbraw/zinc/77/86/40/861778640.db2.gz MLKXGYJCZNBFDP-LBPRGKRZSA-N 1 0 308.338 1.015 20 5 DDBDRO O=[N+]([O-])c1cc[n+]([O-])c(NCc2ccc3c(c2)CC[NH2+]C3)c1 ZINC001155267617 861915656 /nfs/dbraw/zinc/91/56/56/861915656.db2.gz JZYYBYYKADRPFE-UHFFFAOYSA-N 1 0 300.318 1.486 20 5 DDBDRO COC(=O)[C@@H](Nc1ncnc2ccc([N+](=O)[O-])cc21)C(C)(C)[NH3+] ZINC001155368306 862000432 /nfs/dbraw/zinc/00/04/32/862000432.db2.gz FTAKWAODEANDEQ-LLVKDONJSA-N 1 0 319.321 1.229 20 5 DDBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc(C)n2)C1 ZINC001148553841 850804817 /nfs/dbraw/zinc/80/48/17/850804817.db2.gz VYISZYGHLVRCAU-GFCCVEGCSA-N 1 0 306.366 1.712 20 5 DDBDRO COC(=O)c1ccnc(N[C@H]2CC[C@@H]3C[NH2+]C[C@@H]32)c1[N+](=O)[O-] ZINC001155586550 862257077 /nfs/dbraw/zinc/25/70/77/862257077.db2.gz YLDQXGNBWKIMBW-MIMYLULJSA-N 1 0 306.322 1.186 20 5 DDBDRO O=[N+]([O-])c1cc(Cl)cnc1N[C@H]1CCO[C@]2(CC[NH2+]C2)C1 ZINC001155619588 862299766 /nfs/dbraw/zinc/29/97/66/862299766.db2.gz QKZXQMIPGBJBIW-GXFFZTMASA-N 1 0 312.757 1.966 20 5 DDBDRO O=[N+]([O-])c1ccc2ccnc(N[C@H]3C[NH2+][C@@H]4CCO[C@@H]43)c2c1 ZINC001155638176 862323627 /nfs/dbraw/zinc/32/36/27/862323627.db2.gz GCDJBXGUWPGOBG-RDBSUJKOSA-N 1 0 300.318 1.684 20 5 DDBDRO CN1CCC(CNc2cc(N)c([N+](=O)[O-])cn2)([NH+](C)C)CC1 ZINC001156182353 862787421 /nfs/dbraw/zinc/78/74/21/862787421.db2.gz QOINSKXDNMQABT-UHFFFAOYSA-N 1 0 308.386 1.010 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCCNC(=O)CCC1CCC1 ZINC001156307980 862924221 /nfs/dbraw/zinc/92/42/21/862924221.db2.gz HDJIDXGFMHZQOW-UHFFFAOYSA-N 1 0 323.397 1.505 20 5 DDBDRO CSCC[C@H]([NH3+])CC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC001121854976 858613448 /nfs/dbraw/zinc/61/34/48/858613448.db2.gz VEVYFIXWDHCIRV-LBPRGKRZSA-N 1 0 311.407 1.724 20 5 DDBDRO CC(C)(NC(=O)[C@@H]1[C@@H]2CC[NH2+]C[C@@H]21)c1ccc([N+](=O)[O-])cc1 ZINC001121895762 858621870 /nfs/dbraw/zinc/62/18/70/858621870.db2.gz YAUPWXJAMDJVJC-HZSPNIEDSA-N 1 0 303.362 1.802 20 5 DDBDRO Cc1c(CC(=O)N2CC[C@H]3CC[C@]32C[NH3+])cccc1[N+](=O)[O-] ZINC001122321582 858751609 /nfs/dbraw/zinc/75/16/09/858751609.db2.gz WJXJNRLFGYJKOT-CJNGLKHVSA-N 1 0 303.362 1.786 20 5 DDBDRO Cc1c(CC(=O)N[C@@H]2C[C@H]([NH3+])C23CCC3)cccc1[N+](=O)[O-] ZINC001122342507 858765946 /nfs/dbraw/zinc/76/59/46/858765946.db2.gz XPOFHQJLSNFGSS-UONOGXRCSA-N 1 0 303.362 1.832 20 5 DDBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1C[NH2+]CC12CC2 ZINC001122497094 858852306 /nfs/dbraw/zinc/85/23/06/858852306.db2.gz ATYONCIXKQHXAV-GXFFZTMASA-N 1 0 321.402 1.944 20 5 DDBDRO O=C(COCC1CC1)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001124008921 859521879 /nfs/dbraw/zinc/52/18/79/859521879.db2.gz GOONUEZESVFLML-UHFFFAOYSA-N 1 0 307.350 1.227 20 5 DDBDRO O=C(NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1)C1=COCCO1 ZINC001154361729 861039244 /nfs/dbraw/zinc/03/92/44/861039244.db2.gz KQCFVZLQAWSTPG-UHFFFAOYSA-N 1 0 321.333 1.079 20 5 DDBDRO CC[N@@H+]1C[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C(C)(C)C1 ZINC001156827367 863372350 /nfs/dbraw/zinc/37/23/50/863372350.db2.gz CCFZCYYAUYSMGK-GFCCVEGCSA-N 1 0 324.356 1.776 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCCNC(=O)C1CC(C)(C)C1 ZINC001157413954 863801874 /nfs/dbraw/zinc/80/18/74/863801874.db2.gz DMZZCGWVQWHLLJ-UHFFFAOYSA-N 1 0 323.397 1.360 20 5 DDBDRO CSc1nc(Cl)c([N+](=O)[O-])c(-n2cc(C[NH3+])cn2)n1 ZINC001157472062 863847098 /nfs/dbraw/zinc/84/70/98/863847098.db2.gz VFEAPQPLVXFBRP-UHFFFAOYSA-N 1 0 300.731 1.405 20 5 DDBDRO CCC[NH+]1C[C@H]2CN(c3c(C)c([N+](=O)[O-])cc[n+]3[O-])C[C@@H]2C1 ZINC001157690359 864050310 /nfs/dbraw/zinc/05/03/10/864050310.db2.gz DDWXMWDIZRIWPX-STQMWFEESA-N 1 0 306.366 1.315 20 5 DDBDRO C[C@H](Nc1ncc([N+](=O)[O-])c2ccccc21)[C@@H]1C[NH2+]CCO1 ZINC001159497974 865351974 /nfs/dbraw/zinc/35/19/74/865351974.db2.gz PWVLVIOKFAXAHW-HZMBPMFUSA-N 1 0 302.334 1.932 20 5 DDBDRO C[NH2+][C@@H](C)CCNS(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC001332325814 865761222 /nfs/dbraw/zinc/76/12/22/865761222.db2.gz SRQCRLQYUGJTJZ-JTQLQIEISA-N 1 0 315.395 1.488 20 5 DDBDRO N=c1ncc(C[NH3+])cn1-c1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC001161420702 866652531 /nfs/dbraw/zinc/65/25/31/866652531.db2.gz IMRSJVLOFCTYIY-UHFFFAOYSA-N 1 0 322.328 1.781 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(OCC(N)=O)CC1 ZINC001323551028 866683023 /nfs/dbraw/zinc/68/30/23/866683023.db2.gz LGLHWRCZUHRYAE-GFCCVEGCSA-N 1 0 321.377 1.931 20 5 DDBDRO O=[N+]([O-])c1cc2c(cc1NCc1cn3cccnc3n1)C[NH2+]C2 ZINC001161904942 867087667 /nfs/dbraw/zinc/08/76/67/867087667.db2.gz YAXNNDGGUGHIKZ-UHFFFAOYSA-N 1 0 310.317 1.853 20 5 DDBDRO Cc1nc(Cl)nc(NC[C@H]2C[NH2+]CC(C)(C)O2)c1[N+](=O)[O-] ZINC001161950127 867131392 /nfs/dbraw/zinc/13/13/92/867131392.db2.gz AYJVFOSNVDGWND-MRVPVSSYSA-N 1 0 315.761 1.526 20 5 DDBDRO CC(=O)N1CCc2cc(-n3cnc(C[NH3+])c3)cc([N+](=O)[O-])c21 ZINC001162304864 867430553 /nfs/dbraw/zinc/43/05/53/867430553.db2.gz WKUJFOOWXCGRGO-UHFFFAOYSA-N 1 0 301.306 1.148 20 5 DDBDRO COc1nc(NC[C@@H]2CCC[NH2+]C[C@H]2C)nc(C)c1[N+](=O)[O-] ZINC001162452160 867544467 /nfs/dbraw/zinc/54/44/67/867544467.db2.gz BQXRIDDGTVGELG-KOLCDFICSA-N 1 0 309.370 1.749 20 5 DDBDRO CCOC(=O)c1ccnc(N[C@@H]2C=C[C@@H]3C[NH2+]C[C@@H]23)c1[N+](=O)[O-] ZINC001162802344 867836696 /nfs/dbraw/zinc/83/66/96/867836696.db2.gz MNBVBOVXUXWQQH-YUSALJHKSA-N 1 0 318.333 1.352 20 5 DDBDRO COc1ncc([N+](=O)[O-])c(N2C[C@@H]([NH3+])Cc3ccccc32)n1 ZINC001162845775 867863867 /nfs/dbraw/zinc/86/38/67/867863867.db2.gz VLYQAQMJUPOPRZ-JTQLQIEISA-N 1 0 301.306 1.415 20 5 DDBDRO O=[N+]([O-])c1cccc2c(N[C@H]3COCCC34C[NH2+]C4)ccnc21 ZINC001163078687 868061306 /nfs/dbraw/zinc/06/13/06/868061306.db2.gz DHVUNWKMWIENSG-AWEZNQCLSA-N 1 0 314.345 1.933 20 5 DDBDRO O=[N+]([O-])c1c(NC[C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)ccc2ncccc21 ZINC001163105333 868103369 /nfs/dbraw/zinc/10/33/69/868103369.db2.gz NOBFWWHDVFCBQQ-IXPVHAAZSA-N 1 0 314.345 1.789 20 5 DDBDRO COc1ccc([N+](=O)[O-])nc1NC[C@H]1OC[C@H]2C[NH2+]CC[C@H]21 ZINC001163169908 868181229 /nfs/dbraw/zinc/18/12/29/868181229.db2.gz APLKCOUVEDZOFZ-CKYFFXLPSA-N 1 0 308.338 1.035 20 5 DDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CCC(F)F)cc1 ZINC001335368534 868253818 /nfs/dbraw/zinc/25/38/18/868253818.db2.gz XTDOMUMMMVZBJO-UHFFFAOYSA-N 1 0 308.306 1.613 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@H]2C[C@@H]2c2ccccc2)c1 ZINC001335397185 868272244 /nfs/dbraw/zinc/27/22/44/868272244.db2.gz MNJPDDRVAZSTQK-FVQBIDKESA-N 1 0 316.361 1.546 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CC(O)(C2CC2)C2CC2)cc1 ZINC001335440667 868297322 /nfs/dbraw/zinc/29/73/22/868297322.db2.gz MZEDSRBGSNNYDS-HNNXBMFYSA-N 1 0 306.362 1.769 20 5 DDBDRO CC[C@H]1COCCN1CC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001335458050 868313288 /nfs/dbraw/zinc/31/32/88/868313288.db2.gz PPBNGXJHAHBSBH-HOCLYGCPSA-N 1 0 323.393 1.329 20 5 DDBDRO O=[N+]([O-])c1cc2c(ncnc2N[C@H]2C[NH2+][C@@H]3CCO[C@@H]32)s1 ZINC001163336390 868365927 /nfs/dbraw/zinc/36/59/27/868365927.db2.gz FPUMCABJNWSHPZ-WEDXCCLWSA-N 1 0 307.335 1.141 20 5 DDBDRO Cc1nnc(C[NH3+])n1C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1 ZINC001163345926 868379116 /nfs/dbraw/zinc/37/91/16/868379116.db2.gz IKKFZTUOCDZVHT-UHFFFAOYSA-N 1 0 318.671 1.599 20 5 DDBDRO C[C@@H](NC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1cccc([N+](=O)[O-])c1 ZINC001335943972 868637997 /nfs/dbraw/zinc/63/79/97/868637997.db2.gz ZTYNXCQWTXGHIQ-QIRAZROLSA-N 1 0 304.350 1.848 20 5 DDBDRO [NH3+][C@@H]1CCN(c2cnc(Oc3ccc([N+](=O)[O-])cc3)nc2)C1 ZINC001164281525 869083478 /nfs/dbraw/zinc/08/34/78/869083478.db2.gz GGIQLQCZFQABHC-SNVBAGLBSA-N 1 0 301.306 1.715 20 5 DDBDRO C[C@H](NC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1ccc([N+](=O)[O-])cc1 ZINC001336878376 869195216 /nfs/dbraw/zinc/19/52/16/869195216.db2.gz ZDUIRHGDLWJNSW-PCGAWMICSA-N 1 0 304.350 1.848 20 5 DDBDRO C[C@@H]1CC[C@H](C[NH3+])CN1c1cc([N+](=O)[O-])cc(Cl)[n+]1[O-] ZINC001164469066 869214864 /nfs/dbraw/zinc/21/48/64/869214864.db2.gz WSSYHMKGAQSAIE-RKDXNWHRSA-N 1 0 300.746 1.445 20 5 DDBDRO [NH3+]C[C@H]1CN(C(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)CCO1 ZINC001165121191 869389295 /nfs/dbraw/zinc/38/92/95/869389295.db2.gz NZBAVTYLXIRQMV-QMMMGPOBSA-N 1 0 322.699 1.352 20 5 DDBDRO C[NH+](C)C[C@]12C[C@H]1CN(c1ncnc3cccc([N+](=O)[O-])c31)C2 ZINC001165183566 869418439 /nfs/dbraw/zinc/41/84/39/869418439.db2.gz SOPUERNJDPSYLJ-ZBEGNZNMSA-N 1 0 313.361 1.926 20 5 DDBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N2CC[C@@]3(C2)CCC[NH2+]C3)n1 ZINC001165236109 869455578 /nfs/dbraw/zinc/45/55/78/869455578.db2.gz FKRQIMQVSDOMQH-ZDUSSCGKSA-N 1 0 311.773 1.927 20 5 DDBDRO [NH3+][C@]12C[C@H]1CN(c1cc3ncnc(Cl)c3cc1[N+](=O)[O-])C2 ZINC001165315556 869514411 /nfs/dbraw/zinc/51/44/11/869514411.db2.gz VJLWPNUJEOLWJX-CPFSXVBKSA-N 1 0 305.725 1.729 20 5 DDBDRO Cc1nc2c(n1-c1ncc([N+](=O)[O-])cc1Cl)CC[NH2+]CC2 ZINC001165351279 869538395 /nfs/dbraw/zinc/53/83/95/869538395.db2.gz ATYAPTYRSAYHSY-UHFFFAOYSA-N 1 0 307.741 1.826 20 5 DDBDRO CCOC(=O)c1ccnc(N2CCC[C@@H]3[NH2+]C[C@@H]32)c1[N+](=O)[O-] ZINC001165393125 869563578 /nfs/dbraw/zinc/56/35/78/869563578.db2.gz FDOCSYLLKYEZID-QWRGUYRKSA-N 1 0 306.322 1.107 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N1CCC(C2C[NH2+]C2)CC1 ZINC001165409197 869575440 /nfs/dbraw/zinc/57/54/40/869575440.db2.gz YYTJRQQABAOVOX-UHFFFAOYSA-N 1 0 320.349 1.212 20 5 DDBDRO CCC1([NH+]2CCC2)CCN(c2nnc([C@@H](C)[N+](=O)[O-])n2C)CC1 ZINC001339541414 870548401 /nfs/dbraw/zinc/54/84/01/870548401.db2.gz IRGDOFHQJHAKFF-GFCCVEGCSA-N 1 0 322.413 1.608 20 5 DDBDRO CCn1c([C@@H](C)[N+](=O)[O-])nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC001340877179 871404654 /nfs/dbraw/zinc/40/46/54/871404654.db2.gz CRXZWLLICMCJAS-SDDRHHMPSA-N 1 0 310.402 1.555 20 5 DDBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001340885002 871410236 /nfs/dbraw/zinc/41/02/36/871410236.db2.gz DYJRLBZVSORYDF-AOOOYVTPSA-N 1 0 307.375 1.893 20 5 DDBDRO CC(C)c1ccc(C(=O)N2CC[NH2+]C[C@H]2CO)cc1[N+](=O)[O-] ZINC001340951369 871439004 /nfs/dbraw/zinc/43/90/04/871439004.db2.gz CNLALDJMISXOIC-LBPRGKRZSA-N 1 0 307.350 1.125 20 5 DDBDRO C[NH2+]C[C@@H]1CCCCN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC001342481522 872229350 /nfs/dbraw/zinc/22/93/50/872229350.db2.gz KKLWZPVWJPRBHP-ZDUSSCGKSA-N 1 0 307.350 1.574 20 5 DDBDRO CO[C@@H]1C[NH2+][C@@](C)(C(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC001342594125 872285562 /nfs/dbraw/zinc/28/55/62/872285562.db2.gz ZDWLOAWFPFKNLC-RIEGTJTDSA-N 1 0 307.350 1.539 20 5 DDBDRO C[C@@H]1CN(C(=O)COc2ccccc2[N+](=O)[O-])CC[C@@H]1C[NH3+] ZINC001342740330 872362102 /nfs/dbraw/zinc/36/21/02/872362102.db2.gz LBOAMBJLCADRSF-VXGBXAGGSA-N 1 0 307.350 1.417 20 5 DDBDRO [NH3+]C[C@@]12CC[C@@H]1CCCN2C(=O)COc1cccc([N+](=O)[O-])c1 ZINC001342853599 872413525 /nfs/dbraw/zinc/41/35/25/872413525.db2.gz WANVQFPUSMNFPQ-LRDDRELGSA-N 1 0 319.361 1.704 20 5 DDBDRO [NH3+]C[C@H]1CN(Cc2ccc3ccc4cccnc4c3n2)C[C@@H]1O ZINC001206530924 872416548 /nfs/dbraw/zinc/41/65/48/872416548.db2.gz WWLNBBAMJJAXJL-HOCLYGCPSA-N 1 0 308.385 1.534 20 5 DDBDRO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCc1cccc([N+](=O)[O-])c1)C2 ZINC001343116817 872505742 /nfs/dbraw/zinc/50/57/42/872505742.db2.gz CLQZKXAXGOPAMC-GUTXKFCHSA-N 1 0 303.362 1.866 20 5 DDBDRO COC(=O)c1ccc(C)cc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001228196618 883385302 /nfs/dbraw/zinc/38/53/02/883385302.db2.gz MMAOWFGIKDOCQF-GFCCVEGCSA-N 1 0 310.370 1.144 20 5 DDBDRO Cc1cc(C(=O)N2CCC[C@H]([NH2+]CCO)C2)cc([N+](=O)[O-])c1 ZINC001344369602 872988985 /nfs/dbraw/zinc/98/89/85/872988985.db2.gz VIQUFLYVGIUDFB-ZDUSSCGKSA-N 1 0 307.350 1.090 20 5 DDBDRO Cc1cc(C(=O)N2CCC[C@@H]([NH2+]CCO)C2)cc([N+](=O)[O-])c1 ZINC001344369600 872989093 /nfs/dbraw/zinc/98/90/93/872989093.db2.gz VIQUFLYVGIUDFB-CYBMUJFWSA-N 1 0 307.350 1.090 20 5 DDBDRO C[C@@H](NC(=O)NCC[C@@H]1CC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC001346465022 873765246 /nfs/dbraw/zinc/76/52/46/873765246.db2.gz ZZGSJGJBCIYDIZ-NEPJUHHUSA-N 1 0 306.366 1.955 20 5 DDBDRO CC[N@@H+]1CCC[C@@H](CNc2cc(N)c([N+](=O)[O-])c(CO)c2)C1 ZINC001347181894 874044830 /nfs/dbraw/zinc/04/48/30/874044830.db2.gz PYCSMZQRQUPWOS-NSHDSACASA-N 1 0 308.382 1.813 20 5 DDBDRO COCCCCC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001227258592 882939017 /nfs/dbraw/zinc/93/90/17/882939017.db2.gz SYQWIIDBEYBIAK-ZIAGYGMSSA-N 1 0 313.398 1.049 20 5 DDBDRO C[N@@H+]1CCCC[C@H](CNC(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC001215998116 876839051 /nfs/dbraw/zinc/83/90/51/876839051.db2.gz UVDJMWPEBSDAIW-LLVKDONJSA-N 1 0 307.354 1.265 20 5 DDBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]CC[C@@]1(O)CCOC1 ZINC000404214105 877009570 /nfs/dbraw/zinc/00/95/70/877009570.db2.gz RYNCRIKVCXINGH-CYBMUJFWSA-N 1 0 300.742 1.879 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@]12C[C@H]1CCC[NH2+]2 ZINC001353202842 877181522 /nfs/dbraw/zinc/18/15/22/877181522.db2.gz YTQPEYDQCJBELV-ABAIWWIYSA-N 1 0 305.334 1.362 20 5 DDBDRO CN(C)c1ccccc1C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001353287555 877230230 /nfs/dbraw/zinc/23/02/30/877230230.db2.gz JUACWKJLKDODHJ-AWEZNQCLSA-N 1 0 319.365 1.008 20 5 DDBDRO Nc1ccc2n(C(=O)[C@@H]3C[C@@H]([NH3+])CN3)c3ccccc3cc-2c1=O ZINC001219255825 878060265 /nfs/dbraw/zinc/06/02/65/878060265.db2.gz LXNWDLSRBIMRFY-RISCZKNCSA-N 1 0 322.368 1.018 20 5 DDBDRO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)/C=C\c1ccc([N+](=O)[O-])cc1)C2 ZINC001355587600 878633561 /nfs/dbraw/zinc/63/35/61/878633561.db2.gz RNFHWEUFMLYROV-NEBYZUNGSA-N 1 0 301.346 1.946 20 5 DDBDRO CC(C)CCC[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001223114769 880835983 /nfs/dbraw/zinc/83/59/83/880835983.db2.gz RPYHXJWXSNHHOF-HUUCEWRRSA-N 1 0 311.426 1.916 20 5 DDBDRO COC(=O)c1c(CO[C@H]2CCC[N@H+](C)C2)cccc1[N+](=O)[O-] ZINC001223292873 880909333 /nfs/dbraw/zinc/90/93/33/880909333.db2.gz BEYTXJHGYXPQCT-LBPRGKRZSA-N 1 0 308.334 1.992 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)OCc1ccc(-c2ccon2)cc1 ZINC001223302737 880911554 /nfs/dbraw/zinc/91/15/54/880911554.db2.gz WXLDMYZLANGFHS-OAHLLOKOSA-N 1 0 319.381 1.842 20 5 DDBDRO COC(=O)c1ccc(COC(=O)C[C@@H](O)C[N+](C)(C)C)cc1C ZINC001224202291 881272710 /nfs/dbraw/zinc/27/27/10/881272710.db2.gz XJCIGCQRXXWALY-CQSZACIVSA-N 1 0 324.397 1.282 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cccc2c(O)cccc12 ZINC001228104094 883336342 /nfs/dbraw/zinc/33/63/42/883336342.db2.gz YVOKIIVVBQQLPW-GFCCVEGCSA-O 1 0 304.366 1.908 20 5 DDBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC001228662780 883604588 /nfs/dbraw/zinc/60/45/88/883604588.db2.gz BUEWRGPNUSMRTD-SNVBAGLBSA-N 1 0 317.387 1.472 20 5 DDBDRO Cc1cc2ccccc2c(OC(=O)C[C@@H](O)C[N+](C)(C)C)n1 ZINC001228734197 883646208 /nfs/dbraw/zinc/64/62/08/883646208.db2.gz DANKCUCYCJQLJC-CQSZACIVSA-N 1 0 303.382 1.906 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cc(Cl)c2cccnc2n1 ZINC001229510564 884023476 /nfs/dbraw/zinc/02/34/76/884023476.db2.gz SWBCITYAYAKBDF-SNVBAGLBSA-N 1 0 324.788 1.646 20 5 DDBDRO CN1[C@@H]2C[C@H](Oc3ccc([N+](=O)[O-])nc3Cl)[C@H]1CC(=O)C2 ZINC001229915117 884232392 /nfs/dbraw/zinc/23/23/92/884232392.db2.gz JOQKBICIICLQDR-NMLBEHRDSA-N 1 0 311.725 1.826 20 5 DDBDRO CC(C)C(=O)Nc1nc2[nH]cnc2c(O[C@H](C)C[N+](C)(C)C)n1 ZINC001230446754 884492908 /nfs/dbraw/zinc/49/29/08/884492908.db2.gz WFZDBACOGKHVGN-SNVBAGLBSA-O 1 0 321.405 1.421 20 5 DDBDRO C[C@@]1([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCS(=O)(=O)C1 ZINC001254578809 896511777 /nfs/dbraw/zinc/51/17/77/896511777.db2.gz NWABGOASHSSOBA-TZMCWYRMSA-N 1 0 310.375 1.229 20 5 DDBDRO COCCn1cnc(C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001254580052 896514199 /nfs/dbraw/zinc/51/41/99/896514199.db2.gz AFKAAUYJUNDIHQ-CQSZACIVSA-N 1 0 316.361 1.695 20 5 DDBDRO O=C(/C=C\[C@@H]1CCC[NH2+]C1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001262007620 899896211 /nfs/dbraw/zinc/89/62/11/899896211.db2.gz MBJMCLWBABGMDT-RYBZSIHZSA-N 1 0 301.346 1.993 20 5 DDBDRO O=C(N1CCC(n2ccc([N+](=O)[O-])n2)CC1)[C@]12C[C@H]1CCC[NH2+]2 ZINC001263118743 900506445 /nfs/dbraw/zinc/50/64/45/900506445.db2.gz MDLJEFFXAGYGIP-ABAIWWIYSA-N 1 0 319.365 1.097 20 5 DDBDRO CC[N@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1ccsc1 ZINC001266042800 902824362 /nfs/dbraw/zinc/82/43/62/902824362.db2.gz PDMSMCPMNDVPKU-CHWSQXEVSA-N 1 0 311.407 1.742 20 5 DDBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000278503522 214196443 /nfs/dbraw/zinc/19/64/43/214196443.db2.gz VVHBUINZYQHHKX-OAHLLOKOSA-N 1 0 303.362 1.880 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCCN2CC[NH+](C)CC2)c1 ZINC000360146400 306974493 /nfs/dbraw/zinc/97/44/93/306974493.db2.gz DAWNBIDVMQEAFH-UHFFFAOYSA-N 1 0 322.365 1.041 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)C(C)(C)C(N)=O ZINC000451138521 231017036 /nfs/dbraw/zinc/01/70/36/231017036.db2.gz ZMUFKIRGCSHSDZ-UHFFFAOYSA-N 1 0 322.365 1.428 20 5 DDBDRO Cc1cc(S(=O)(=O)NC[C@H](C)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000451933879 231240095 /nfs/dbraw/zinc/24/00/95/231240095.db2.gz QLXUUJQIPIWBRC-JTQLQIEISA-N 1 0 301.368 1.132 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1CN1CC[N@H+](CCO)C[C@@H]1C ZINC000452123110 231310228 /nfs/dbraw/zinc/31/02/28/231310228.db2.gz IAXXAPLDBIYJLB-LBPRGKRZSA-N 1 0 309.366 1.102 20 5 DDBDRO CC[C@@H]([NH3+])CNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000418080896 529563050 /nfs/dbraw/zinc/56/30/50/529563050.db2.gz DRVFWFNWRKCMBK-MRVPVSSYSA-N 1 0 306.326 1.008 20 5 DDBDRO CC[C@@H]([NH3+])CNC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000449607344 529566358 /nfs/dbraw/zinc/56/63/58/529566358.db2.gz XIFOSTYCZXRNNN-WCBMZHEXSA-N 1 0 315.757 1.869 20 5 DDBDRO COC(=O)N1CC([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000181464657 199301300 /nfs/dbraw/zinc/30/13/00/199301300.db2.gz ZOIGPDPBIOYHFO-CQSZACIVSA-N 1 0 319.361 1.956 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000294959709 529785788 /nfs/dbraw/zinc/78/57/88/529785788.db2.gz WMILPWYYRKNQPS-LBPRGKRZSA-N 1 0 320.393 1.923 20 5 DDBDRO C[N@H+](CCCCNc1cccc(C(N)=O)c1[N+](=O)[O-])C1CC1 ZINC000413348890 529884295 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DDBDRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000286837785 219190398 /nfs/dbraw/zinc/19/03/98/219190398.db2.gz XYCLGEQDXSBUFB-UHFFFAOYSA-N 1 0 321.337 1.505 20 5 DDBDRO C[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1[NH+](C)C ZINC000358390802 299140177 /nfs/dbraw/zinc/14/01/77/299140177.db2.gz HXORIESJQAWOCA-IINYFYTJSA-N 1 0 309.341 1.685 20 5 DDBDRO C[C@H]1C[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2F)CC[N@@H+]1C ZINC000358391862 299140322 /nfs/dbraw/zinc/14/03/22/299140322.db2.gz ITIQALUXLALPCD-CMPLNLGQSA-N 1 0 309.341 1.875 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)C[C@H]1CCC[C@@H]1O ZINC000159581685 186129240 /nfs/dbraw/zinc/12/92/40/186129240.db2.gz OOWAGRPRUYSLNB-DOMZBBRYSA-N 1 0 321.377 1.935 20 5 DDBDRO C[N@H+](CCn1cccn1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181868728 186212730 /nfs/dbraw/zinc/21/27/30/186212730.db2.gz AOPHEOIMUYJGTD-ZDUSSCGKSA-N 1 0 320.349 1.163 20 5 DDBDRO C[C@H]1CSCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000172590333 198118958 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C[NH+](C)[C@@H]1CCCN(C(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000068340850 353104673 /nfs/dbraw/zinc/10/46/73/353104673.db2.gz WZDOCGCBMSPXBI-CYBMUJFWSA-N 1 0 307.350 1.526 20 5 DDBDRO CC[N@@H+]1CCCC[C@H]1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000068520257 353116445 /nfs/dbraw/zinc/11/64/45/353116445.db2.gz BYDSONUEWRBGFN-HNNXBMFYSA-N 1 0 321.377 1.964 20 5 DDBDRO C[NH+](C)C/C=C/C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000491861385 234317359 /nfs/dbraw/zinc/31/73/59/234317359.db2.gz AMLVKVMXTDCNHG-AAOUONPWSA-N 1 0 319.365 1.120 20 5 DDBDRO COCCOC[C@@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000174104996 198292560 /nfs/dbraw/zinc/29/25/60/198292560.db2.gz MAQIPKSCXZQCPZ-CQSZACIVSA-N 1 0 324.377 1.959 20 5 DDBDRO CC[NH+]1CCN(CC(=O)N2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000073848779 353274429 /nfs/dbraw/zinc/27/44/29/353274429.db2.gz KODSVAMOVJTKPE-UHFFFAOYSA-N 1 0 318.377 1.121 20 5 DDBDRO COCCC[N@H+](C)CCNC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000174189028 198303230 /nfs/dbraw/zinc/30/32/30/198303230.db2.gz FSFSBNGSGJHRBV-UHFFFAOYSA-N 1 0 324.381 1.993 20 5 DDBDRO CC[NH+]1CCN([C@@H](C)CNc2cc(C)c([N+](=O)[O-])cn2)CC1 ZINC000074740648 353327679 /nfs/dbraw/zinc/32/76/79/353327679.db2.gz DUXKJGBZLYVYDF-ZDUSSCGKSA-N 1 0 307.398 1.736 20 5 DDBDRO COCCC[N@@H+]1CCCN(c2cc(C)c([N+](=O)[O-])cn2)CC1 ZINC000080605773 353617780 /nfs/dbraw/zinc/61/77/80/353617780.db2.gz ZVFNSHYMZHDVCO-UHFFFAOYSA-N 1 0 308.382 1.847 20 5 DDBDRO CC[N@H+](C)CCNc1ccc([N+](=O)[O-])cc1N1CCOC1=O ZINC000091461459 353827377 /nfs/dbraw/zinc/82/73/77/353827377.db2.gz GSSQTBBHMNQSAB-UHFFFAOYSA-N 1 0 308.338 1.915 20 5 DDBDRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1C[C@@H]1[N+](=O)[O-] ZINC000093064733 353884107 /nfs/dbraw/zinc/88/41/07/353884107.db2.gz SUAKRCKROVPJES-KGLIPLIRSA-N 1 0 304.350 1.079 20 5 DDBDRO O=C(COc1ccccc1[N+](=O)[O-])N1CCC[N@@H+](C2CC2)CC1 ZINC000149245095 354172267 /nfs/dbraw/zinc/17/22/67/354172267.db2.gz PRLPODPIQNDCPE-UHFFFAOYSA-N 1 0 319.361 1.670 20 5 DDBDRO CNc1ccc(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000143978993 354152093 /nfs/dbraw/zinc/15/20/93/354152093.db2.gz ICARADYTZUZCBE-NSHDSACASA-N 1 0 304.350 1.603 20 5 DDBDRO O=[N+]([O-])c1cnc2ccc(N3CC[NH+](CC4CC4)CC3)nn21 ZINC000158064934 354228374 /nfs/dbraw/zinc/22/83/74/354228374.db2.gz RAYXVUOKQUDXNV-UHFFFAOYSA-N 1 0 302.338 1.170 20 5 DDBDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000346192525 283017435 /nfs/dbraw/zinc/01/74/35/283017435.db2.gz NLMHDWPAINVCFG-HBNTYKKESA-N 1 0 307.354 1.120 20 5 DDBDRO COc1ccc(S(=O)(=O)N[C@H](C)C[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000320451112 354527108 /nfs/dbraw/zinc/52/71/08/354527108.db2.gz CIIKCJRNCKDAQT-DTWKUNHWSA-N 1 0 317.367 1.008 20 5 DDBDRO O=c1[nH]cnc2cc(N[C@H]3CC[N@@H+](C4CC4)C3)c([N+](=O)[O-])cc21 ZINC000320983901 354530446 /nfs/dbraw/zinc/53/04/46/354530446.db2.gz BNZSXYRURXVRHY-VIFPVBQESA-N 1 0 315.333 1.892 20 5 DDBDRO C[C@@H](NC(=O)NC[C@]1(O)CC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000358668487 299218163 /nfs/dbraw/zinc/21/81/63/299218163.db2.gz XNRIFYZIDPGCGH-IAQYHMDHSA-N 1 0 322.365 1.022 20 5 DDBDRO CNc1ccc(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000322570957 354537622 /nfs/dbraw/zinc/53/76/22/354537622.db2.gz FUMKGRKYHOUMSJ-CHWSQXEVSA-N 1 0 318.377 1.993 20 5 DDBDRO C[NH+](C)C/C=C\C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000493786426 234932586 /nfs/dbraw/zinc/93/25/86/234932586.db2.gz IVBWLCIHWKDCQR-ARJAWSKDSA-N 1 0 307.354 1.073 20 5 DDBDRO CC[N@@H+]1C[C@H](C)N(c2cc(N)c([N+](=O)[O-])c(CO)c2)C[C@H]1C ZINC000588009276 354893471 /nfs/dbraw/zinc/89/34/71/354893471.db2.gz DSMJUAXWGLCCQJ-MNOVXSKESA-N 1 0 308.382 1.588 20 5 DDBDRO CC[N@@H+]1CCC[C@H](Nc2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])C1 ZINC000587416339 354882732 /nfs/dbraw/zinc/88/27/32/354882732.db2.gz XSIYIENJPXOHHK-NSHDSACASA-N 1 0 322.365 1.981 20 5 DDBDRO C[N@@H+]1C[C@H]2CCN(C(=O)COc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000590044137 355042330 /nfs/dbraw/zinc/04/23/30/355042330.db2.gz HGHYQLITGDWLKP-YPMHNXCESA-N 1 0 305.334 1.136 20 5 DDBDRO O=C1NC2(CO1)CC[NH+](CCOc1ccc([N+](=O)[O-])cc1)CC2 ZINC000495291914 235158747 /nfs/dbraw/zinc/15/87/47/235158747.db2.gz NTILFCCKSBNZHC-UHFFFAOYSA-N 1 0 321.333 1.548 20 5 DDBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+][C@H]1CC[C@@H](CO)C1)OCCO2 ZINC000590656182 355139071 /nfs/dbraw/zinc/13/90/71/355139071.db2.gz MDMAXSVWPUWBKL-PWSUYJOCSA-N 1 0 308.334 1.617 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000591271647 355274611 /nfs/dbraw/zinc/27/46/11/355274611.db2.gz ATKOZYUKKNNAMM-GXFFZTMASA-N 1 0 308.338 1.483 20 5 DDBDRO CC[C@H]1CN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC[C@@H]1[NH3+] ZINC000591347045 355294553 /nfs/dbraw/zinc/29/45/53/355294553.db2.gz GRGKQIRXYVFXAB-ZFWWWQNUSA-N 1 0 320.393 1.906 20 5 DDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N[C@H]1CCC[NH2+]CC1 ZINC000591353343 355296611 /nfs/dbraw/zinc/29/66/11/355296611.db2.gz WZGUNXIFIOAYFU-ZDUSSCGKSA-N 1 0 306.366 1.579 20 5 DDBDRO [NH3+]C[C@@H](NC(=O)NCCOc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000591351703 355296653 /nfs/dbraw/zinc/29/66/53/355296653.db2.gz YDPNEXGFLABVRO-CYBMUJFWSA-N 1 0 308.338 1.010 20 5 DDBDRO Cc1c(CNC(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)cccc1[N+](=O)[O-] ZINC000591357039 355298503 /nfs/dbraw/zinc/29/85/03/355298503.db2.gz FIEHPVIUGQWQRR-TZMCWYRMSA-N 1 0 318.377 1.797 20 5 DDBDRO Cc1cc(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)ncn1 ZINC000591757276 355378075 /nfs/dbraw/zinc/37/80/75/355378075.db2.gz HVPXOVSCQAKSOY-CQSZACIVSA-N 1 0 318.333 1.223 20 5 DDBDRO COc1cccc(C(=O)N(C2CC2)C2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC000591681092 355361151 /nfs/dbraw/zinc/36/11/51/355361151.db2.gz RGERDZGTZVNPCT-UHFFFAOYSA-N 1 0 319.361 1.960 20 5 DDBDRO COC(=O)[C@H]1C[C@H](O)C[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000592196511 355533112 /nfs/dbraw/zinc/53/31/12/355533112.db2.gz CBXZXDGZKCIPFD-STQMWFEESA-N 1 0 308.334 1.259 20 5 DDBDRO COc1cc(C(=O)N2CC[NH2+][C@@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000592243083 355546167 /nfs/dbraw/zinc/54/61/67/355546167.db2.gz ZVMJBXAMVXXLRF-GFCCVEGCSA-N 1 0 307.350 1.673 20 5 DDBDRO CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2OC)CC[C@H]1[NH3+] ZINC000592331047 355560588 /nfs/dbraw/zinc/56/05/88/355560588.db2.gz HHGZJHALSYJHRJ-ZWNOBZJWSA-N 1 0 307.350 1.803 20 5 DDBDRO CC1(C)C[NH2+]CCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000592373006 355569192 /nfs/dbraw/zinc/56/91/92/355569192.db2.gz NHYRUOBRNXMVKN-UHFFFAOYSA-N 1 0 305.381 1.029 20 5 DDBDRO CC(C)(C(=O)N[C@H]1CC[NH2+]C2(CCC2)C1)n1cc([N+](=O)[O-])cn1 ZINC000592569061 355632726 /nfs/dbraw/zinc/63/27/26/355632726.db2.gz XSXNJLLFFUDUQG-NSHDSACASA-N 1 0 321.381 1.317 20 5 DDBDRO CCc1cccc(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000592998765 355765731 /nfs/dbraw/zinc/76/57/31/355765731.db2.gz VOJUBMWBSXHMAE-OAHLLOKOSA-N 1 0 304.350 1.504 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)[C@H](C)C(C)(C)O)c1 ZINC000593029601 355774736 /nfs/dbraw/zinc/77/47/36/355774736.db2.gz CTSLGAVMKAXGFX-SNVBAGLBSA-N 1 0 310.350 1.973 20 5 DDBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593573239 355930527 /nfs/dbraw/zinc/93/05/27/355930527.db2.gz VWKNNMAZCWBHRY-WDEREUQCSA-N 1 0 309.341 1.827 20 5 DDBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](CO)CCF ZINC000593688612 355967694 /nfs/dbraw/zinc/96/76/94/355967694.db2.gz XHEHMHBZZILLLJ-ZYHUDNBSSA-N 1 0 313.329 1.622 20 5 DDBDRO [NH3+]CC1(CCNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000593914990 356057483 /nfs/dbraw/zinc/05/74/83/356057483.db2.gz SBWWTLPEUQRFMB-UHFFFAOYSA-N 1 0 321.333 1.225 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000594103307 356114391 /nfs/dbraw/zinc/11/43/91/356114391.db2.gz ZSBJDFRGHKISHH-KLPPZKSPSA-N 1 0 307.350 1.673 20 5 DDBDRO C[C@@H](O)C[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000594055358 356101406 /nfs/dbraw/zinc/10/14/06/356101406.db2.gz KZDXKESHWMJTCX-BXUZGUMPSA-N 1 0 310.350 1.180 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594200385 356137909 /nfs/dbraw/zinc/13/79/09/356137909.db2.gz LRQWSSHZPJDCFR-OLZOCXBDSA-N 1 0 306.366 1.680 20 5 DDBDRO Cc1nn(C)c(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000594200417 356138354 /nfs/dbraw/zinc/13/83/54/356138354.db2.gz LVXPZTJKPOFQEM-NWDGAFQWSA-N 1 0 321.381 1.383 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[NH2+]C2CCN(C[C@@H]3CCCO3)CC2)c1 ZINC000594497731 356237425 /nfs/dbraw/zinc/23/74/25/356237425.db2.gz DYUZRYJFFBBHBC-HNNXBMFYSA-N 1 0 323.397 1.024 20 5 DDBDRO NC(=O)c1ccc(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])cn1 ZINC000594495590 356237716 /nfs/dbraw/zinc/23/77/16/356237716.db2.gz CKEROWANVGJNHZ-ZDUSSCGKSA-N 1 0 312.329 1.866 20 5 DDBDRO Cn1nnc2c1CC[C@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])C2 ZINC000594511941 356240464 /nfs/dbraw/zinc/24/04/64/356240464.db2.gz ALSMGBZAMHRVSM-BPJJOFIESA-N 1 0 313.361 1.884 20 5 DDBDRO COCCN1CC[C@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000595019557 356372810 /nfs/dbraw/zinc/37/28/10/356372810.db2.gz QXZWBVXBCNAQGA-STQMWFEESA-N 1 0 323.393 1.975 20 5 DDBDRO COC(=O)CC(C)(C)C[C@@H](C)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000595021814 356373750 /nfs/dbraw/zinc/37/37/50/356373750.db2.gz GECOMBAGPTWUJX-LLVKDONJSA-N 1 0 312.370 1.749 20 5 DDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)CC(C)(C)[NH3+] ZINC000595115495 356384673 /nfs/dbraw/zinc/38/46/73/356384673.db2.gz GMBHJAPPARHFMN-UHFFFAOYSA-N 1 0 315.395 1.515 20 5 DDBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000601330838 358501757 /nfs/dbraw/zinc/50/17/57/358501757.db2.gz YJWTVRSUSQTTHJ-WCFLWFBJSA-N 1 0 304.350 1.358 20 5 DDBDRO [NH3+][C@@H]1CN(C(=O)CSc2ccc([N+](=O)[O-])cc2)CC[C@H]1F ZINC000595261361 356424671 /nfs/dbraw/zinc/42/46/71/356424671.db2.gz XXGDDFYDQRFSKI-VXGBXAGGSA-N 1 0 313.354 1.585 20 5 DDBDRO Cc1c(CNC(=O)NCC2([NH3+])CCCC2)cccc1[N+](=O)[O-] ZINC000595273437 356428872 /nfs/dbraw/zinc/42/88/72/356428872.db2.gz CPJIBHWOXDCCJW-UHFFFAOYSA-N 1 0 306.366 1.974 20 5 DDBDRO CCNC(=O)N1CC[C@@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000565215525 304054176 /nfs/dbraw/zinc/05/41/76/304054176.db2.gz BDVNASIAICEPDM-BXUZGUMPSA-N 1 0 318.377 1.976 20 5 DDBDRO O=C(CC[N@@H+]1CCn2cncc2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000595491620 356516867 /nfs/dbraw/zinc/51/68/67/356516867.db2.gz SQGWFIWBVDPZTR-UHFFFAOYSA-N 1 0 315.333 1.636 20 5 DDBDRO Cc1noc(CN2CCC([N@H+]3CCOC[C@H]3C)CC2)c1[N+](=O)[O-] ZINC000595496403 356518912 /nfs/dbraw/zinc/51/89/12/356518912.db2.gz BLJIFNFYEVADKU-LLVKDONJSA-N 1 0 324.381 1.576 20 5 DDBDRO CCCC[C@H](C[NH3+])NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000236935457 202079467 /nfs/dbraw/zinc/07/94/67/202079467.db2.gz SUABWTKFUIIPQK-SECBINFHSA-N 1 0 305.338 1.718 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH+]2C[C@@H](C)C(O)[C@H](C)C2)c1 ZINC000595732268 356625971 /nfs/dbraw/zinc/62/59/71/356625971.db2.gz KTSCUFBGIORBSZ-GHMZBOCLSA-N 1 0 322.361 1.830 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC000595736345 356628327 /nfs/dbraw/zinc/62/83/27/356628327.db2.gz FAVGTCMYXPGLPT-SMDDNHRTSA-N 1 0 319.361 1.704 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@H]2C[C@@H](O)C23CCC3)c1 ZINC000595776981 356649160 /nfs/dbraw/zinc/64/91/60/356649160.db2.gz DRVOQMMOWITZCJ-VHDGCEQUSA-N 1 0 322.361 1.228 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)CC(C)(C)[NH3+] ZINC000595901339 356698343 /nfs/dbraw/zinc/69/83/43/356698343.db2.gz FDTCPNRWMNXGFZ-UHFFFAOYSA-N 1 0 308.382 1.901 20 5 DDBDRO Cc1noc(CN2CCO[C@H](CCC[NH+](C)C)C2)c1[N+](=O)[O-] ZINC000595905134 356699612 /nfs/dbraw/zinc/69/96/12/356699612.db2.gz KVCZIMMDGUIBNH-GFCCVEGCSA-N 1 0 312.370 1.434 20 5 DDBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC2CC1(C[NH3+])C2 ZINC000595910325 356701629 /nfs/dbraw/zinc/70/16/29/356701629.db2.gz OVJMMUGTAUEFPM-RWWNRMGGSA-N 1 0 304.350 1.345 20 5 DDBDRO CC1(C)CC[NH2+][C@H]1C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000595922560 356705603 /nfs/dbraw/zinc/70/56/03/356705603.db2.gz GYEWDXNTTOSQKQ-ZDUSSCGKSA-N 1 0 306.366 1.511 20 5 DDBDRO COc1cc(C(=O)NCC23CC(C2)C[NH2+]3)c([N+](=O)[O-])cc1OC ZINC000595949784 356719926 /nfs/dbraw/zinc/71/99/26/356719926.db2.gz ZQOWBMDNYJMAJV-UHFFFAOYSA-N 1 0 321.333 1.094 20 5 DDBDRO [NH3+][C@@H]1CN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC[C@H]1F ZINC000595946232 356717208 /nfs/dbraw/zinc/71/72/08/356717208.db2.gz BYFIOTGROWKGPQ-ZIAGYGMSSA-N 1 0 324.356 1.685 20 5 DDBDRO C[C@H]1C[NH+](C(C)(C)CNc2cc[nH]c(=O)c2[N+](=O)[O-])C[C@H](C)O1 ZINC000596065564 356759548 /nfs/dbraw/zinc/75/95/48/356759548.db2.gz SEFHZWKRBQUZDT-QWRGUYRKSA-N 1 0 324.381 1.995 20 5 DDBDRO CCn1nccc1C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000596070931 356761901 /nfs/dbraw/zinc/76/19/01/356761901.db2.gz VEJBZQXTKBQCKQ-CQSZACIVSA-N 1 0 320.349 1.341 20 5 DDBDRO Cc1cc(N2CCN(C(=O)C[NH+](C)C)CC2)c([N+](=O)[O-])s1 ZINC000596073698 356762677 /nfs/dbraw/zinc/76/26/77/356762677.db2.gz RMCQYCNWNRXBRE-UHFFFAOYSA-N 1 0 312.395 1.175 20 5 DDBDRO C[NH2+]C[C@@H](C)NCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000596104394 356772867 /nfs/dbraw/zinc/77/28/67/356772867.db2.gz DGFKUWVHTKHYOJ-LLVKDONJSA-N 1 0 303.366 1.693 20 5 DDBDRO CS[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)C[C@H]1[NH+](C)C ZINC000596176612 356803214 /nfs/dbraw/zinc/80/32/14/356803214.db2.gz CPMGULUYUJGDBS-CHWSQXEVSA-N 1 0 324.406 1.176 20 5 DDBDRO O=[N+]([O-])c1ccccc1N1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000596263685 356837365 /nfs/dbraw/zinc/83/73/65/356837365.db2.gz INRIJWIZTAMQBX-UHFFFAOYSA-N 1 0 305.378 1.926 20 5 DDBDRO COc1cc(OCC(=O)N2C[C@H](C)[NH2+]C[C@H]2C)ccc1[N+](=O)[O-] ZINC000237226069 202195384 /nfs/dbraw/zinc/19/53/84/202195384.db2.gz JHRVOPLUIPHMGD-WDEREUQCSA-N 1 0 323.349 1.191 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)n1 ZINC000597861453 357362588 /nfs/dbraw/zinc/36/25/88/357362588.db2.gz UNMKCFBFTRCDTL-NSHDSACASA-N 1 0 323.397 1.661 20 5 DDBDRO CCN(C(=O)c1cccc([N+](=O)[O-])c1N)[C@H]1CC[N@H+](CC)C1 ZINC000598042774 357439619 /nfs/dbraw/zinc/43/96/19/357439619.db2.gz YATPBODSMDUCKK-NSHDSACASA-N 1 0 306.366 1.733 20 5 DDBDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000598266449 357514629 /nfs/dbraw/zinc/51/46/29/357514629.db2.gz YAGVEUSRBPJKGZ-LBPRGKRZSA-N 1 0 308.382 1.784 20 5 DDBDRO C[C@@H]([NH3+])CCNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000178659001 198905686 /nfs/dbraw/zinc/90/56/86/198905686.db2.gz XSNZBXHQQLTCGX-SSDOTTSWSA-N 1 0 316.155 1.824 20 5 DDBDRO Cc1nn(CCC(=O)N2CCC([C@H](C)[NH3+])CC2)c(C)c1[N+](=O)[O-] ZINC000178869757 198944811 /nfs/dbraw/zinc/94/48/11/198944811.db2.gz NXLLXOLWVPAIGZ-JTQLQIEISA-N 1 0 323.397 1.384 20 5 DDBDRO Nc1c(C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)cc(F)cc1[N+](=O)[O-] ZINC000598668059 357678193 /nfs/dbraw/zinc/67/81/93/357678193.db2.gz OOYCRTMGTOPSOU-XLKFXECMSA-N 1 0 308.313 1.270 20 5 DDBDRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598915379 357757661 /nfs/dbraw/zinc/75/76/61/357757661.db2.gz KYPMEZBDTJHGNT-GWCFXTLKSA-N 1 0 320.349 1.167 20 5 DDBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCN1CC[C@H](O)C1 ZINC000599019678 357795668 /nfs/dbraw/zinc/79/56/68/357795668.db2.gz UBESDLMWCICDCP-WQMJKPAKSA-N 1 0 305.378 1.654 20 5 DDBDRO C[C@@H]1CC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])s2)C[NH2+]1 ZINC000599105760 357817316 /nfs/dbraw/zinc/81/73/16/357817316.db2.gz QBKRMRVODVZMOU-HTQZYQBOSA-N 1 0 305.381 1.075 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCCOCCC[NH3+] ZINC000599605934 357990658 /nfs/dbraw/zinc/99/06/58/357990658.db2.gz HZAQUVLZHCZZIQ-UHFFFAOYSA-N 1 0 310.354 1.699 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@H]1C[C@@H](C(N)=O)C1 ZINC000599643654 358003802 /nfs/dbraw/zinc/00/38/02/358003802.db2.gz BUJDNDFIDKKDMY-KLPPZKSPSA-N 1 0 320.349 1.037 20 5 DDBDRO COC(=O)[C@@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)[C@H]2CCC[C@H]21 ZINC000599661224 358013708 /nfs/dbraw/zinc/01/37/08/358013708.db2.gz TVCUSCRLCKCBBO-XQQFMLRXSA-N 1 0 322.365 1.455 20 5 DDBDRO CC(=O)NC[C@@H]1CCCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000599704830 358032957 /nfs/dbraw/zinc/03/29/57/358032957.db2.gz UVHWKCCOKKHLPY-AWEZNQCLSA-N 1 0 321.377 1.964 20 5 DDBDRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000599906348 358077887 /nfs/dbraw/zinc/07/78/87/358077887.db2.gz CKFQRNGPSHDGNQ-UONOGXRCSA-N 1 0 306.366 1.577 20 5 DDBDRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)CCc3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC000600000028 358100194 /nfs/dbraw/zinc/10/01/94/358100194.db2.gz KMVQHWINXVIQOH-FOLVSLTJSA-N 1 0 303.362 1.546 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000600205853 358156582 /nfs/dbraw/zinc/15/65/82/358156582.db2.gz XVFBOIYKQLTNCQ-IYBDPMFKSA-N 1 0 308.378 1.716 20 5 DDBDRO C[N@@H+]1CCCC[C@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000600312986 358192778 /nfs/dbraw/zinc/19/27/78/358192778.db2.gz WLZOLQLNSKIGLF-CQSZACIVSA-N 1 0 305.378 1.985 20 5 DDBDRO CC(C)[C@H]1C[NH2+]CCN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000600713541 358292135 /nfs/dbraw/zinc/29/21/35/358292135.db2.gz BSGRFNQNRRFDAZ-CQSZACIVSA-N 1 0 306.366 1.463 20 5 DDBDRO [NH3+]C[C@H]1CN(CCn2ccc([N+](=O)[O-])n2)CC[C@H]1C(F)(F)F ZINC000600724827 358296868 /nfs/dbraw/zinc/29/68/68/358296868.db2.gz IHNHOVYXUBTNRD-VHSXEESVSA-N 1 0 321.303 1.250 20 5 DDBDRO [NH3+]C[C@@H]1CN(CCn2ccc([N+](=O)[O-])n2)CC[C@H]1C(F)(F)F ZINC000600724817 358296976 /nfs/dbraw/zinc/29/69/76/358296976.db2.gz IHNHOVYXUBTNRD-NXEZZACHSA-N 1 0 321.303 1.250 20 5 DDBDRO O=[N+]([O-])c1cc(Cl)ccc1-n1cc(C[C@H]2CC[NH2+]C2)nn1 ZINC000600971142 358363677 /nfs/dbraw/zinc/36/36/77/358363677.db2.gz UUVPLQVAIRZTJF-SECBINFHSA-N 1 0 307.741 1.981 20 5 DDBDRO O=[N+]([O-])c1cc(F)cnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000601126584 358413587 /nfs/dbraw/zinc/41/35/87/358413587.db2.gz VCUJFQYFYTVOQU-LLVKDONJSA-N 1 0 310.329 1.287 20 5 DDBDRO O=[N+]([O-])c1sccc1N1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000601173012 358432857 /nfs/dbraw/zinc/43/28/57/358432857.db2.gz ORIDOBWCJWAFAG-UHFFFAOYSA-N 1 0 311.407 1.987 20 5 DDBDRO C[NH+](C)C[C@]1(O)CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000601188501 358439387 /nfs/dbraw/zinc/43/93/87/358439387.db2.gz HWAPIICZXSRJGT-OAHLLOKOSA-N 1 0 319.365 1.364 20 5 DDBDRO C[C@@H](NS(=O)(=O)CCC[NH+](C)C)c1ccccc1[N+](=O)[O-] ZINC000601387016 358529591 /nfs/dbraw/zinc/52/95/91/358529591.db2.gz LGSQRWVFSVBYHW-LLVKDONJSA-N 1 0 315.395 1.527 20 5 DDBDRO CCC1([NH+](C)C)CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000601791146 358696869 /nfs/dbraw/zinc/69/68/69/358696869.db2.gz HBCKGRWBDHVGEJ-UHFFFAOYSA-N 1 0 309.370 1.124 20 5 DDBDRO O=C(COc1cccc([N+](=O)[O-])c1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000602534947 359032395 /nfs/dbraw/zinc/03/23/95/359032395.db2.gz WHJZZHDGDLDULG-CYBMUJFWSA-N 1 0 305.334 1.374 20 5 DDBDRO COC[C@]1(C(=O)N(C)Cc2ccccc2[N+](=O)[O-])CCCC[NH2+]1 ZINC000602445471 358981315 /nfs/dbraw/zinc/98/13/15/358981315.db2.gz WCSMOZPTEPXAEM-INIZCTEOSA-N 1 0 321.377 1.712 20 5 DDBDRO C[C@@H](CCO)CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602672868 359117211 /nfs/dbraw/zinc/11/72/11/359117211.db2.gz RHGCVCQXXWBBQL-CYBMUJFWSA-N 1 0 322.409 1.957 20 5 DDBDRO C[N@@H+]1C[C@H]2CCN(Cc3nc4cc([N+](=O)[O-])ccc4o3)[C@H]2C1 ZINC000602673581 359118560 /nfs/dbraw/zinc/11/85/60/359118560.db2.gz WAVQSHPJGFRCTJ-MFKMUULPSA-N 1 0 302.334 1.872 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@H](Cc2cnn(C)c2)C1 ZINC000602778368 359185243 /nfs/dbraw/zinc/18/52/43/359185243.db2.gz AYXALHGQCISMIB-CYBMUJFWSA-N 1 0 318.381 1.398 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@H]1C(=O)OC(C)C ZINC000602792561 359195500 /nfs/dbraw/zinc/19/55/00/359195500.db2.gz BWXIRXGKCSLZNH-LBPRGKRZSA-N 1 0 310.354 1.516 20 5 DDBDRO CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1cn(C)nc1[N+](=O)[O-] ZINC000602839067 359229133 /nfs/dbraw/zinc/22/91/33/359229133.db2.gz HALNHDUFIDZKLD-NEPJUHHUSA-N 1 0 310.354 1.540 20 5 DDBDRO CCNC(=O)C[C@H]1CCCC[N@@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602829656 359222686 /nfs/dbraw/zinc/22/26/86/359222686.db2.gz WZUIXVGCQXCROH-GFCCVEGCSA-N 1 0 309.370 1.209 20 5 DDBDRO Cc1c(NC(=O)CC[NH2+]C(C)(C)CC(N)=O)cccc1[N+](=O)[O-] ZINC000186218044 199930278 /nfs/dbraw/zinc/93/02/78/199930278.db2.gz AMTALQDOEDOHQW-UHFFFAOYSA-N 1 0 322.365 1.475 20 5 DDBDRO CCN(C(=O)Nc1c(C)cncc1[N+](=O)[O-])[C@H]1CC[N@H+](CC)C1 ZINC000602961630 359325023 /nfs/dbraw/zinc/32/50/23/359325023.db2.gz XZMKUTDSPXHDIS-LBPRGKRZSA-N 1 0 321.381 1.668 20 5 DDBDRO CN(CC[N@H+](C)C1CC1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000186758478 200005261 /nfs/dbraw/zinc/00/52/61/200005261.db2.gz CMFKGAQTQTZNQR-HNNXBMFYSA-N 1 0 323.393 1.361 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[N@H+](CCO)[C@@H](C)C1 ZINC000187675240 200143045 /nfs/dbraw/zinc/14/30/45/200143045.db2.gz IIRBQNMORBKUNW-LBPRGKRZSA-N 1 0 309.366 1.102 20 5 DDBDRO COC(=O)C1CC[NH+](CCCNc2cccnc2[N+](=O)[O-])CC1 ZINC000603857714 359687996 /nfs/dbraw/zinc/68/79/96/359687996.db2.gz RUMPBORUFQZPJC-UHFFFAOYSA-N 1 0 322.365 1.677 20 5 DDBDRO CCN(CCC[NH+](C)C)C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000276243803 212750541 /nfs/dbraw/zinc/75/05/41/212750541.db2.gz PMUNYUSBVPMJJK-UHFFFAOYSA-N 1 0 322.409 1.831 20 5 DDBDRO C[NH+](C)CC1(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CCC1 ZINC000281118977 216091169 /nfs/dbraw/zinc/09/11/69/216091169.db2.gz SCCPXTISGZXLET-UHFFFAOYSA-N 1 0 322.321 1.717 20 5 DDBDRO Cc1cc(C(=O)NCC[C@@H]2CCC[NH2+]C2)c(N)c([N+](=O)[O-])c1 ZINC000237728812 202341568 /nfs/dbraw/zinc/34/15/68/202341568.db2.gz UVWQCPAOQBYPNR-NSHDSACASA-N 1 0 306.366 1.605 20 5 DDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCCn2cncn2)n1 ZINC000618572587 363678025 /nfs/dbraw/zinc/67/80/25/363678025.db2.gz AYJOLHBQMACQNB-CHWSQXEVSA-N 1 0 319.369 1.546 20 5 DDBDRO C[C@@H]1CN(CCNC(=O)c2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000608778025 360240804 /nfs/dbraw/zinc/24/08/04/360240804.db2.gz LXHJRYIMZJJBQP-SNVBAGLBSA-N 1 0 311.313 1.184 20 5 DDBDRO CCNC(=O)CN1CCCN(c2ccsc2[N+](=O)[O-])CC1 ZINC000608778996 360241409 /nfs/dbraw/zinc/24/14/09/360241409.db2.gz RQCVQABGMLKQSO-UHFFFAOYSA-N 1 0 312.395 1.305 20 5 DDBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000609399730 360304641 /nfs/dbraw/zinc/30/46/41/360304641.db2.gz MLENLWSTPZLRND-CQSZACIVSA-N 1 0 318.377 1.878 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH+]2CCC(CCO)CC2)c1 ZINC000609312330 360291696 /nfs/dbraw/zinc/29/16/96/360291696.db2.gz PBGIOXDMSBMEAY-HNNXBMFYSA-N 1 0 324.377 1.429 20 5 DDBDRO C[C@](O)(C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C1CC1 ZINC000609564547 360325595 /nfs/dbraw/zinc/32/55/95/360325595.db2.gz ZJKNKKJAHDVJMA-HNNXBMFYSA-N 1 0 308.334 1.617 20 5 DDBDRO CO[C@@H]1CCN(CCOc2cccc([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000359039823 299314093 /nfs/dbraw/zinc/31/40/93/299314093.db2.gz JNXJNAWNSZWZMA-UONOGXRCSA-N 1 0 309.366 1.412 20 5 DDBDRO C[C@H](O)[C@@H]1CCC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611564061 360760946 /nfs/dbraw/zinc/76/09/46/360760946.db2.gz VAXGEIWCBLSGSI-NWDGAFQWSA-N 1 0 322.361 1.959 20 5 DDBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000611598464 360775105 /nfs/dbraw/zinc/77/51/05/360775105.db2.gz BBQREICVURZLOB-NSHDSACASA-N 1 0 307.354 1.408 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292596647 223164858 /nfs/dbraw/zinc/16/48/58/223164858.db2.gz RIQXUGDPVHDKBY-HNNXBMFYSA-N 1 0 321.381 1.044 20 5 DDBDRO C[NH+](C)C1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000193813673 201127454 /nfs/dbraw/zinc/12/74/54/201127454.db2.gz AKWSYERLCVIWFJ-UHFFFAOYSA-N 1 0 321.377 1.987 20 5 DDBDRO O=C(CCc1cccc([N+](=O)[O-])c1)NC[C@@H]1C[NH2+]CCCO1 ZINC000449706570 283795778 /nfs/dbraw/zinc/79/57/78/283795778.db2.gz BFKRAUWFKRUDAH-AWEZNQCLSA-N 1 0 307.350 1.022 20 5 DDBDRO Cc1cc(C)c(S(=O)(=O)N(C)CCC[NH3+])cc1[N+](=O)[O-] ZINC000566215598 304130540 /nfs/dbraw/zinc/13/05/40/304130540.db2.gz GQRZCQUKPXNQMN-UHFFFAOYSA-N 1 0 301.368 1.181 20 5 DDBDRO CO[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000275247722 212222328 /nfs/dbraw/zinc/22/23/28/212222328.db2.gz POHPZIQMRCCLIF-OCCSQVGLSA-N 1 0 307.350 1.741 20 5 DDBDRO C[C@@H]1C[NH2+]CCN1C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000261992350 203168656 /nfs/dbraw/zinc/16/86/56/203168656.db2.gz MMXUZUPOUHPCRJ-LLVKDONJSA-N 1 0 315.333 1.214 20 5 DDBDRO COc1ccc(C(=O)N[C@@H]2[C@H](C)CC[NH2+][C@H]2C)cc1[N+](=O)[O-] ZINC000262566858 203332701 /nfs/dbraw/zinc/33/27/01/203332701.db2.gz WVTJRCHRBBCENU-ISTVAULSSA-N 1 0 307.350 1.720 20 5 DDBDRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000262711789 203390099 /nfs/dbraw/zinc/39/00/99/203390099.db2.gz CTYNBGLIUMBDBW-NEPJUHHUSA-N 1 0 307.350 1.478 20 5 DDBDRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000262777570 203403215 /nfs/dbraw/zinc/40/32/15/203403215.db2.gz LYRIIFNATYTJLB-GWCFXTLKSA-N 1 0 309.391 1.801 20 5 DDBDRO COc1ccc(NC(=O)C[NH2+][C@@H]2C[C@H](O)C2(C)C)c([N+](=O)[O-])c1 ZINC000566425514 304153972 /nfs/dbraw/zinc/15/39/72/304153972.db2.gz ZLTMHORCDGDHLJ-OLZOCXBDSA-N 1 0 323.349 1.291 20 5 DDBDRO COc1ccc(NC(=O)C[NH2+][C@H]2C[C@H](O)C2(C)C)c([N+](=O)[O-])c1 ZINC000566425518 304153994 /nfs/dbraw/zinc/15/39/94/304153994.db2.gz ZLTMHORCDGDHLJ-STQMWFEESA-N 1 0 323.349 1.291 20 5 DDBDRO C[C@H](Cn1cccn1)[NH2+][C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000264846014 204204747 /nfs/dbraw/zinc/20/47/47/204204747.db2.gz IDEXSSPUABKGQA-VXGBXAGGSA-N 1 0 317.349 1.797 20 5 DDBDRO C[C@@H](CC[NH+](C)C)NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000264929056 204277791 /nfs/dbraw/zinc/27/77/91/204277791.db2.gz RXJFJXDVGGYHQK-NSHDSACASA-N 1 0 323.349 1.243 20 5 DDBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@H](C[NH3+])C2)c1 ZINC000274800856 211945020 /nfs/dbraw/zinc/94/50/20/211945020.db2.gz OXTUTAZDJXFURD-SECBINFHSA-N 1 0 311.363 1.116 20 5 DDBDRO NC(=O)[C@H](Cc1ccccc1)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000351343861 284320327 /nfs/dbraw/zinc/32/03/27/284320327.db2.gz UTZBGOWGJBUHSK-INIZCTEOSA-N 1 0 313.357 1.824 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000351475870 284330690 /nfs/dbraw/zinc/33/06/90/284330690.db2.gz JTAHKEJNDTYVTP-FPMFFAJLSA-N 1 0 318.377 1.511 20 5 DDBDRO Cc1ccc(S(=O)(=O)N(C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000267148303 205844975 /nfs/dbraw/zinc/84/49/75/205844975.db2.gz MRRDYCDZDPXOMD-UHFFFAOYSA-N 1 0 301.368 1.085 20 5 DDBDRO COc1ccc(C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000334042163 249190627 /nfs/dbraw/zinc/19/06/27/249190627.db2.gz GZFYJTBZHWJYGS-PWSUYJOCSA-N 1 0 307.350 1.816 20 5 DDBDRO CC1CC[NH+](CCCCNC(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000285015349 218257528 /nfs/dbraw/zinc/25/75/28/218257528.db2.gz CTKRJLOXWFRMFF-UHFFFAOYSA-N 1 0 309.370 1.560 20 5 DDBDRO CC(C)[NH+]1CCC(O)(CNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000268480950 206744737 /nfs/dbraw/zinc/74/47/37/206744737.db2.gz OVRIJFDLCVEEHX-UHFFFAOYSA-N 1 0 321.377 1.560 20 5 DDBDRO CC[NH+](CC)[C@@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)c1ccco1 ZINC000285227374 218342387 /nfs/dbraw/zinc/34/23/87/218342387.db2.gz VILZJTYUMNOLSI-NSHDSACASA-N 1 0 321.337 1.724 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)C1(CO)CC1 ZINC000285350465 218392313 /nfs/dbraw/zinc/39/23/13/218392313.db2.gz AVSYZLMRVDHBHI-UHFFFAOYSA-N 1 0 307.350 1.689 20 5 DDBDRO C[N@@H+]1CC[C@H](Cn2nnnc2Sc2ccc([N+](=O)[O-])cc2)C1 ZINC000340745915 251189493 /nfs/dbraw/zinc/18/94/93/251189493.db2.gz SABCAHMFWCZGEE-JTQLQIEISA-N 1 0 320.378 1.684 20 5 DDBDRO CO[C@H]1C[NH2+][C@@H](C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000567649596 304231858 /nfs/dbraw/zinc/23/18/58/304231858.db2.gz CZDQGZRVBUMPFC-ZYHUDNBSSA-N 1 0 313.741 1.241 20 5 DDBDRO COc1cc(C(=O)N2CCC[C@@H]2C[NH3+])cc([N+](=O)[O-])c1OC ZINC000269197878 207317895 /nfs/dbraw/zinc/31/78/95/207317895.db2.gz TWBOWRUCEWEXIY-SNVBAGLBSA-N 1 0 309.322 1.175 20 5 DDBDRO COc1ccc(NC(=O)C[N@H+](CCO)CC2CC2)c([N+](=O)[O-])c1 ZINC000352458979 285063804 /nfs/dbraw/zinc/06/38/04/285063804.db2.gz RIJXQUJZUBMYNV-UHFFFAOYSA-N 1 0 323.349 1.246 20 5 DDBDRO C[C@H]1C[NH+](C)C[C@H](C)N1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000270045775 208100449 /nfs/dbraw/zinc/10/04/49/208100449.db2.gz BLNUWMBCSQLXOE-UWVGGRQHSA-N 1 0 317.349 1.636 20 5 DDBDRO C[NH2+]C[C@@H]1CCCN(C(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000159021288 197320219 /nfs/dbraw/zinc/32/02/19/197320219.db2.gz YHUYVBXHSYBJLJ-LBPRGKRZSA-N 1 0 306.366 1.465 20 5 DDBDRO CNc1nc(C(=O)NCC[C@@H]2CCC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000458216833 533076191 /nfs/dbraw/zinc/07/61/91/533076191.db2.gz VPLPULVINRFJCW-NSHDSACASA-N 1 0 321.381 1.493 20 5 DDBDRO CCCc1n[nH]c(C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC000158701264 197295245 /nfs/dbraw/zinc/29/52/45/197295245.db2.gz MVIZKTMFILADPE-CQSZACIVSA-N 1 0 307.354 1.096 20 5 DDBDRO [NH3+][C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C1 ZINC000157940764 197229159 /nfs/dbraw/zinc/22/91/59/197229159.db2.gz SFGSBSLIXSSPCN-GFCCVEGCSA-N 1 0 318.377 1.758 20 5 DDBDRO CNC(=O)CCC[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000155354028 197047409 /nfs/dbraw/zinc/04/74/09/197047409.db2.gz IPIWDDOHYMRRPW-NSHDSACASA-N 1 0 322.365 1.380 20 5 DDBDRO CC(C)([NH2+]CCn1ccc([N+](=O)[O-])n1)C(=O)NCC1CCCC1 ZINC000155197295 197031367 /nfs/dbraw/zinc/03/13/67/197031367.db2.gz MKIBLEWMMQFOLI-UHFFFAOYSA-N 1 0 323.397 1.466 20 5 DDBDRO CC[C@H]1[NH2+]CC[C@H]1C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000289734529 221188468 /nfs/dbraw/zinc/18/84/68/221188468.db2.gz VKQKPDCNHGUXMF-VXGBXAGGSA-N 1 0 306.366 1.511 20 5 DDBDRO COc1cc(C(=O)N[C@@](C)(C[NH3+])C2CC2)cc([N+](=O)[O-])c1C ZINC000422824260 533550741 /nfs/dbraw/zinc/55/07/41/533550741.db2.gz GTLCCVMAGUYTHU-HNNXBMFYSA-N 1 0 307.350 1.769 20 5 DDBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360565532 299691060 /nfs/dbraw/zinc/69/10/60/299691060.db2.gz VDSHMGHUJADGAH-BLLLJJGKSA-N 1 0 318.377 1.607 20 5 DDBDRO COC1CCC([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000570155935 304398902 /nfs/dbraw/zinc/39/89/02/304398902.db2.gz XNBDQQRCFXBKFX-HNFVBEJKSA-N 1 0 324.377 1.882 20 5 DDBDRO COc1ccc(C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000361118349 299803910 /nfs/dbraw/zinc/80/39/10/299803910.db2.gz UNZDUTFOWYLZBI-QWHCGFSZSA-N 1 0 319.361 1.721 20 5 DDBDRO CCC[N@@H+]1CCCN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000074290041 406908713 /nfs/dbraw/zinc/90/87/13/406908713.db2.gz RZEGDDBKIAYZDO-UHFFFAOYSA-N 1 0 320.393 1.951 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H]1CCCC[NH2+]1 ZINC000044492856 407024716 /nfs/dbraw/zinc/02/47/16/407024716.db2.gz QWBVCABEVBQHDU-LLVKDONJSA-N 1 0 313.379 1.324 20 5 DDBDRO CC[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccs1 ZINC000049530317 407121529 /nfs/dbraw/zinc/12/15/29/407121529.db2.gz NIWCOMNHPBCZJE-RYUDHWBXSA-N 1 0 310.379 1.955 20 5 DDBDRO Cc1csc([C@H](C)[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)n1 ZINC000080310828 407071351 /nfs/dbraw/zinc/07/13/51/407071351.db2.gz NQPAVCUZWRVERF-ONGXEEELSA-N 1 0 311.367 1.268 20 5 DDBDRO CC1CC[NH+](CC(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 ZINC000089304687 407129872 /nfs/dbraw/zinc/12/98/72/407129872.db2.gz HXWLQYQWLVLIPC-UHFFFAOYSA-N 1 0 305.378 1.985 20 5 DDBDRO COC(=O)[C@@H]1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000066832884 407260027 /nfs/dbraw/zinc/26/00/27/407260027.db2.gz JLMMPGPZUXHHML-GFCCVEGCSA-N 1 0 308.334 1.859 20 5 DDBDRO O=C(CNc1ccccc1[N+](=O)[O-])NCC[NH+]1CCCCC1 ZINC000065867510 407246105 /nfs/dbraw/zinc/24/61/05/407246105.db2.gz AMNFGIWPBQIMIZ-UHFFFAOYSA-N 1 0 306.366 1.609 20 5 DDBDRO C[C@H]1C[C@@H](N(C)C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC[N@@H+]1C ZINC000123247023 407323872 /nfs/dbraw/zinc/32/38/72/407323872.db2.gz WHTUENXVUYFUOZ-RYUDHWBXSA-N 1 0 323.397 1.468 20 5 DDBDRO CCOc1ccc(C(=O)N2CCC[N@H+](C)CC2)cc1[N+](=O)[O-] ZINC000098072430 407305402 /nfs/dbraw/zinc/30/54/02/407305402.db2.gz FQIMQUYBCXQOAU-UHFFFAOYSA-N 1 0 307.350 1.771 20 5 DDBDRO CC[NH+]1CCC(CCNC(=O)c2c([N+](=O)[O-])cnn2C)CC1 ZINC000125153936 407380680 /nfs/dbraw/zinc/38/06/80/407380680.db2.gz JGYDONWAENDQAX-UHFFFAOYSA-N 1 0 309.370 1.180 20 5 DDBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000126047937 407403586 /nfs/dbraw/zinc/40/35/86/407403586.db2.gz GDPPBWZYJCQJLZ-OCCSQVGLSA-N 1 0 320.393 1.805 20 5 DDBDRO CCC[N@@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC1 ZINC000127027912 407426178 /nfs/dbraw/zinc/42/61/78/407426178.db2.gz NISICDHMDTZEGH-UHFFFAOYSA-N 1 0 308.338 1.253 20 5 DDBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CCOCCO)cs2)c1 ZINC000113314490 407492820 /nfs/dbraw/zinc/49/28/20/407492820.db2.gz XHDMYECNTFTECL-UHFFFAOYSA-N 1 0 323.374 1.817 20 5 DDBDRO COC[C@@H]1CC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000265762648 407442913 /nfs/dbraw/zinc/44/29/13/407442913.db2.gz HISXIZFDRNSJKR-TZMCWYRMSA-N 1 0 310.350 1.303 20 5 DDBDRO Cn1cc([N+](=O)[O-])c(C(=O)N(CC[NH+](C)C)Cc2ccco2)n1 ZINC000270971966 407446516 /nfs/dbraw/zinc/44/65/16/407446516.db2.gz TYCUNKXBPAPVIT-UHFFFAOYSA-N 1 0 321.337 1.125 20 5 DDBDRO CN(CC(=O)N1CC[C@](C)(C[NH3+])C1)c1ccccc1[N+](=O)[O-] ZINC000261675674 407573962 /nfs/dbraw/zinc/57/39/62/407573962.db2.gz AJHOHVVZORXIQB-OAHLLOKOSA-N 1 0 306.366 1.228 20 5 DDBDRO CC[N@H+](CCNC(=O)Cc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000152172120 407576768 /nfs/dbraw/zinc/57/67/68/407576768.db2.gz ZDWORJDQPBYLPR-UHFFFAOYSA-N 1 0 309.341 1.877 20 5 DDBDRO CC[C@@H]1CN(c2ncc(C)cc2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000266216031 407533184 /nfs/dbraw/zinc/53/31/84/407533184.db2.gz OXRYOESIPHCNJY-CYBMUJFWSA-N 1 0 308.382 1.845 20 5 DDBDRO CC[C@H]1CN(c2ncc(C)cc2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000266216036 407535308 /nfs/dbraw/zinc/53/53/08/407535308.db2.gz OXRYOESIPHCNJY-ZDUSSCGKSA-N 1 0 308.382 1.845 20 5 DDBDRO C[C@H](CNC(=O)c1ccccc1[N+](=O)[O-])C[NH+]1CCN(C)CC1 ZINC000114140988 407545200 /nfs/dbraw/zinc/54/52/00/407545200.db2.gz JXTPSNHKTDHTHQ-CYBMUJFWSA-N 1 0 320.393 1.208 20 5 DDBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)N2CCNC2=O)cc1[N+](=O)[O-] ZINC000178689501 407548321 /nfs/dbraw/zinc/54/83/21/407548321.db2.gz OCOGTYXTYYDQTQ-QWRGUYRKSA-N 1 0 320.349 1.494 20 5 DDBDRO C[C@H]1c2ccccc2CC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266540034 407550917 /nfs/dbraw/zinc/55/09/17/407550917.db2.gz PRXSKKMKVQBXKL-SWLSCSKDSA-N 1 0 316.361 1.772 20 5 DDBDRO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCC2(CC[NH2+]C2)CC1 ZINC000261803791 407622898 /nfs/dbraw/zinc/62/28/98/407622898.db2.gz MTFQCQDBCRMMNF-UHFFFAOYSA-N 1 0 307.325 1.950 20 5 DDBDRO CCCc1n[nH]c(C(=O)N2CCC([C@H](C)[NH3+])CC2)c1[N+](=O)[O-] ZINC000178850790 407624450 /nfs/dbraw/zinc/62/44/50/407624450.db2.gz RBIVBPFDJCSFLE-VIFPVBQESA-N 1 0 309.370 1.470 20 5 DDBDRO Cc1cc(NCCS(C)(=O)=O)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000228484405 407645250 /nfs/dbraw/zinc/64/52/50/407645250.db2.gz RIKPFPLVGSQACU-UHFFFAOYSA-N 1 0 309.347 1.908 20 5 DDBDRO COCc1cc([N+](=O)[O-])ccc1NCCN1CC[NH+](C)CC1 ZINC000266946776 407685356 /nfs/dbraw/zinc/68/53/56/407685356.db2.gz CVWAVDJWKVJOHW-UHFFFAOYSA-N 1 0 308.382 1.401 20 5 DDBDRO CC[C@@H](CO)[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000186527495 407693040 /nfs/dbraw/zinc/69/30/40/407693040.db2.gz HZLZSBKYDJVYJE-ZDUSSCGKSA-N 1 0 304.350 1.856 20 5 DDBDRO COc1cc(C(=O)NC[C@H]([NH3+])C2CC2)cc([N+](=O)[O-])c1OC ZINC000261981005 407700846 /nfs/dbraw/zinc/70/08/46/407700846.db2.gz WJAUXLIMMFZUJW-JTQLQIEISA-N 1 0 309.322 1.079 20 5 DDBDRO O=[N+]([O-])c1cccc(N2CC[NH+](CC3(O)CCOCC3)CC2)c1 ZINC000152961565 407726258 /nfs/dbraw/zinc/72/62/58/407726258.db2.gz YIRWUYOORLGPOT-UHFFFAOYSA-N 1 0 321.377 1.258 20 5 DDBDRO CCO[C@H]1C[C@]([NH3+])(C(=O)NCc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000186716069 407752855 /nfs/dbraw/zinc/75/28/55/407752855.db2.gz DZXUCNXCRYHZGE-BBRMVZONSA-N 1 0 321.377 1.744 20 5 DDBDRO O=[N+]([O-])c1cnc2ccc(NC3CC[NH+](CC4CC4)CC3)nn21 ZINC000179274136 407765013 /nfs/dbraw/zinc/76/50/13/407765013.db2.gz YECWVYZLOBEQNB-UHFFFAOYSA-N 1 0 316.365 1.924 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCC[NH+]1CCCCCC1 ZINC000132548451 407791894 /nfs/dbraw/zinc/79/18/94/407791894.db2.gz YLHGIIWFFMVOLS-UHFFFAOYSA-N 1 0 323.397 1.482 20 5 DDBDRO CC[N@H+](C)C[C@H]1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000267214644 407793951 /nfs/dbraw/zinc/79/39/51/407793951.db2.gz IALYZZVJWWALTP-LLVKDONJSA-N 1 0 306.366 1.472 20 5 DDBDRO COC[C@]1(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)CC[NH2+]C1 ZINC000262442166 407836756 /nfs/dbraw/zinc/83/67/56/407836756.db2.gz GXCVFWBKJDWXOO-NHYWBVRUSA-N 1 0 307.350 1.398 20 5 DDBDRO CC1(C)CCC[NH2+][C@H]1CNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000262455143 407840250 /nfs/dbraw/zinc/84/02/50/407840250.db2.gz ICVLIGVCBISZDL-NSHDSACASA-N 1 0 307.354 1.279 20 5 DDBDRO [NH3+]C1(CC(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CCC1 ZINC000237990960 407864055 /nfs/dbraw/zinc/86/40/55/407864055.db2.gz CRINAQFVWIKCCU-LLVKDONJSA-N 1 0 319.365 1.274 20 5 DDBDRO COC[C@]1(CNC(=O)Cc2ccccc2[N+](=O)[O-])CCC[NH2+]1 ZINC000262556826 407865533 /nfs/dbraw/zinc/86/55/33/407865533.db2.gz UKQWFTJDCNVMAC-OAHLLOKOSA-N 1 0 307.350 1.022 20 5 DDBDRO C[N@@H+]1CCC[C@H]1CNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272336853 407873665 /nfs/dbraw/zinc/87/36/65/407873665.db2.gz MLXBGIVGXBNKDP-LBPRGKRZSA-N 1 0 313.304 1.897 20 5 DDBDRO O=C(CCNc1ccccc1[N+](=O)[O-])NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000238054324 407877706 /nfs/dbraw/zinc/87/77/06/407877706.db2.gz PXIWPNMVZRVWOO-FUNVUKJBSA-N 1 0 318.377 1.796 20 5 DDBDRO COc1ccc(C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000268242970 407965614 /nfs/dbraw/zinc/96/56/14/407965614.db2.gz VGABIQLVQBMZAW-MFKMUULPSA-N 1 0 319.361 1.816 20 5 DDBDRO C[C@@H](NC(=O)c1c(N)cccc1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000180810808 407920700 /nfs/dbraw/zinc/92/07/00/407920700.db2.gz UYELQKRZAARIAG-SNVBAGLBSA-N 1 0 308.382 1.883 20 5 DDBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000268177658 407928634 /nfs/dbraw/zinc/92/86/34/407928634.db2.gz KWSHIZRJLPPIEF-XHDPSFHLSA-N 1 0 319.361 1.573 20 5 DDBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1CCN([C@@H]2CCOC2)CC1 ZINC000268396961 408028086 /nfs/dbraw/zinc/02/80/86/408028086.db2.gz FFMGEBJLQCYPDE-CQSZACIVSA-N 1 0 305.334 1.142 20 5 DDBDRO O=C(Cn1ccc([N+](=O)[O-])n1)N1CC[NH+](C2CCCCC2)CC1 ZINC000154417517 408032424 /nfs/dbraw/zinc/03/24/24/408032424.db2.gz QFMIOXAPAVDZHZ-UHFFFAOYSA-N 1 0 321.381 1.268 20 5 DDBDRO CC[C@@H](c1ccncc1)[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000245714591 408048673 /nfs/dbraw/zinc/04/86/73/408048673.db2.gz PWTOXOXDNXDGBV-CABCVRRESA-N 1 0 319.365 1.630 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000154862961 408098393 /nfs/dbraw/zinc/09/83/93/408098393.db2.gz MPIRBIBVYGPGJR-OLZOCXBDSA-N 1 0 321.381 1.042 20 5 DDBDRO CCOC(=O)[C@H]1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000136806011 408127626 /nfs/dbraw/zinc/12/76/26/408127626.db2.gz UIODTKGWPISSPQ-ZFWWWQNUSA-N 1 0 322.361 1.903 20 5 DDBDRO CC[NH2+]CCCNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000138070479 408166039 /nfs/dbraw/zinc/16/60/39/408166039.db2.gz OJMOLNWVRPWPAP-UHFFFAOYSA-N 1 0 301.368 1.410 20 5 DDBDRO CN1CCC([NH+]2CCC(Nc3ncc([N+](=O)[O-])cn3)CC2)CC1 ZINC000273614532 408265398 /nfs/dbraw/zinc/26/53/98/408265398.db2.gz MYCPTWQBGJMPIR-UHFFFAOYSA-N 1 0 320.397 1.355 20 5 DDBDRO CCCNC(=O)[C@@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176221223 408315633 /nfs/dbraw/zinc/31/56/33/408315633.db2.gz SHWWDMWFIMONNO-GFCCVEGCSA-N 1 0 309.370 1.030 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CC[C@@]3(CCOC3)C2)c1 ZINC000246739043 408330039 /nfs/dbraw/zinc/33/00/39/408330039.db2.gz AWLGLJXJMURAHC-GOEBONIOSA-N 1 0 322.361 1.447 20 5 DDBDRO Cc1ccc(CN(CCO)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000269352950 408278275 /nfs/dbraw/zinc/27/82/75/408278275.db2.gz LCRZZTWPISHSKD-UHFFFAOYSA-N 1 0 307.394 1.792 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)N2CCC[C@@H]2C[NH+](C)C)c1[N+](=O)[O-] ZINC000269445295 408313364 /nfs/dbraw/zinc/31/33/64/408313364.db2.gz QIKWCFCULXJNDL-SNVBAGLBSA-N 1 0 309.370 1.608 20 5 DDBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000274244932 408340208 /nfs/dbraw/zinc/34/02/08/408340208.db2.gz SNWGRWSVIZJDAK-XJKSGUPXSA-N 1 0 323.393 1.281 20 5 DDBDRO CC(=O)NCCC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000164903924 162155073 /nfs/dbraw/zinc/15/50/73/162155073.db2.gz BQCFJMNTVDQDLJ-UHFFFAOYSA-N 1 0 306.366 1.243 20 5 DDBDRO CCCc1n[nH]c(C(=O)NCC2(C)CC[NH2+]CC2)c1[N+](=O)[O-] ZINC000183357258 408386746 /nfs/dbraw/zinc/38/67/46/408386746.db2.gz UDGOQINUNJCFJN-UHFFFAOYSA-N 1 0 309.370 1.390 20 5 DDBDRO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000246977515 408378916 /nfs/dbraw/zinc/37/89/16/408378916.db2.gz GFTGUXUIHIDTMX-DGCLKSJQSA-N 1 0 309.370 1.026 20 5 DDBDRO CN(CC[N@H+](C)C1CC1)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000274548927 408445715 /nfs/dbraw/zinc/44/57/15/408445715.db2.gz WQFMCJIZVLXLEM-UHFFFAOYSA-N 1 0 320.393 1.873 20 5 DDBDRO Cc1cccc(C(=O)NC[C@H](O)C[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000160075947 408453605 /nfs/dbraw/zinc/45/36/05/408453605.db2.gz KABXYEWZQGAWLH-ZDUSSCGKSA-N 1 0 321.377 1.480 20 5 DDBDRO C[C@H](CNC(=O)Nc1ccncc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000183630060 408459409 /nfs/dbraw/zinc/45/94/09/408459409.db2.gz HLBBGYAFKLOECW-LLVKDONJSA-N 1 0 307.354 1.843 20 5 DDBDRO COc1ccc(NC(=O)[C@H](C)N(C)C[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000159446022 408408658 /nfs/dbraw/zinc/40/86/58/408408658.db2.gz JEZKNLTWQLCCKI-ZJUUUORDSA-N 1 0 311.338 1.243 20 5 DDBDRO C[NH+](C)CCC1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000176668790 408414095 /nfs/dbraw/zinc/41/40/95/408414095.db2.gz QYPCHBNYVMONCR-UHFFFAOYSA-N 1 0 320.393 1.981 20 5 DDBDRO O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000264286479 408427762 /nfs/dbraw/zinc/42/77/62/408427762.db2.gz KTPNOWVTIIACPO-LBPRGKRZSA-N 1 0 314.345 1.996 20 5 DDBDRO COc1cc(C(=O)NC[C@@H]2CCC[N@H+](C)C2)cc([N+](=O)[O-])c1C ZINC000191482970 408431234 /nfs/dbraw/zinc/43/12/34/408431234.db2.gz BEMCXCLUPRJUKH-LBPRGKRZSA-N 1 0 321.377 1.983 20 5 DDBDRO C[C@H](O)[C@H]1CCCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000264410912 408480014 /nfs/dbraw/zinc/48/00/14/408480014.db2.gz JNOAHRHTJIKRKO-GXFFZTMASA-N 1 0 307.350 1.429 20 5 DDBDRO Cc1ccc(NCCCNC(=O)[C@@]2(C)CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000160483274 408486590 /nfs/dbraw/zinc/48/65/90/408486590.db2.gz BRBYYWHKEKEKMU-INIZCTEOSA-N 1 0 320.393 1.821 20 5 DDBDRO C[C@H](C(=O)NCCn1cc([N+](=O)[O-])cn1)[NH+]1[C@H](C)CC[C@H]1C ZINC000247560924 408494125 /nfs/dbraw/zinc/49/41/25/408494125.db2.gz RUTCSOCQJFSGIP-IJLUTSLNSA-N 1 0 309.370 1.169 20 5 DDBDRO Cc1nn(CCC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c(C)c1[N+](=O)[O-] ZINC000160649267 408508056 /nfs/dbraw/zinc/50/80/56/408508056.db2.gz BXENRDWGLBDWIR-BETUJISGSA-N 1 0 321.381 1.151 20 5 DDBDRO [NH3+][C@@H]1CC[C@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])s3)C[C@@H]12 ZINC000248594443 408592930 /nfs/dbraw/zinc/59/29/30/408592930.db2.gz HUWPRGGXOIASEA-DJLDLDEBSA-N 1 0 317.392 1.014 20 5 DDBDRO Cc1cc(C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c(N)c([N+](=O)[O-])c1 ZINC000177170865 408542609 /nfs/dbraw/zinc/54/26/09/408542609.db2.gz KREAXUGTWZHSSU-GHMZBOCLSA-N 1 0 318.377 1.840 20 5 DDBDRO O=[N+]([O-])c1ccc(OCC[N@@H+](CCO)C2CCOCC2)cc1 ZINC000275639882 408630217 /nfs/dbraw/zinc/63/02/17/408630217.db2.gz WBVGJPLEMFVSEY-UHFFFAOYSA-N 1 0 310.350 1.447 20 5 DDBDRO CC[N@H+](CCO)CCNCc1ccc([N+](=O)[O-])cc1Cl ZINC000184548209 408639568 /nfs/dbraw/zinc/63/95/68/408639568.db2.gz QEFMCFITFSTFMP-UHFFFAOYSA-N 1 0 301.774 1.652 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC[C@@H]1CCC[NH2+]1 ZINC000178917103 162700835 /nfs/dbraw/zinc/70/08/35/162700835.db2.gz QDNGNHRHPXKAJO-NSHDSACASA-N 1 0 313.379 1.242 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+](CCO)C1CCC1 ZINC000275920613 408719209 /nfs/dbraw/zinc/71/92/09/408719209.db2.gz ZHBWHZMZGCSSFV-CYBMUJFWSA-N 1 0 310.350 1.181 20 5 DDBDRO O=C(C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)NCC(F)F ZINC000280771442 408831788 /nfs/dbraw/zinc/83/17/88/408831788.db2.gz GEAHXLPMHFKPHB-GFCCVEGCSA-N 1 0 313.304 1.943 20 5 DDBDRO CC[N@@H+]1CC[C@H](N(C)c2nccc(C(N)=O)c2[N+](=O)[O-])[C@H](C)C1 ZINC000290814700 408838035 /nfs/dbraw/zinc/83/80/35/408838035.db2.gz RQZRQIRZHWGZRH-PWSUYJOCSA-N 1 0 321.381 1.255 20 5 DDBDRO C[NH+](C)[C@H]1CCCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C1 ZINC000281097938 408872018 /nfs/dbraw/zinc/87/20/18/408872018.db2.gz DVWAWHJGXSFMPT-NSHDSACASA-N 1 0 317.349 1.774 20 5 DDBDRO C[C@H](NC(=O)c1cc([N+](=O)[O-])n[nH]1)[C@@H](c1ccccc1)[NH+](C)C ZINC000285984755 408901543 /nfs/dbraw/zinc/90/15/43/408901543.db2.gz FZONWUZDTCOFLD-HZMBPMFUSA-N 1 0 317.349 1.739 20 5 DDBDRO O=[N+]([O-])c1cnc(NC2CC[NH+](C[C@H]3CCOC3)CC2)s1 ZINC000192458819 163224277 /nfs/dbraw/zinc/22/42/77/163224277.db2.gz ORQHFUPWGFVSQU-SNVBAGLBSA-N 1 0 312.395 1.964 20 5 DDBDRO C[C@H](O)C[C@H]1CCCCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000286166586 408936236 /nfs/dbraw/zinc/93/62/36/408936236.db2.gz WOIPALXJXAUSHJ-UONOGXRCSA-N 1 0 323.393 1.772 20 5 DDBDRO COC(=O)c1cc(C)nc(NCC[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000286176705 408936902 /nfs/dbraw/zinc/93/69/02/408936902.db2.gz PVNUUZTZCBHNNW-UHFFFAOYSA-N 1 0 322.365 1.983 20 5 DDBDRO C[C@H](c1ccccc1)[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)C(N)=O ZINC000292212652 409002375 /nfs/dbraw/zinc/00/23/75/409002375.db2.gz ONGKGDPNQNNWBJ-RISCZKNCSA-N 1 0 317.349 1.039 20 5 DDBDRO CC[N@@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000277620272 408978857 /nfs/dbraw/zinc/97/88/57/408978857.db2.gz QWLUVAZLLRKAGJ-UHFFFAOYSA-N 1 0 307.350 1.771 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000277638662 408982459 /nfs/dbraw/zinc/98/24/59/408982459.db2.gz TUHZCGDKHVQUOJ-YGRLFVJLSA-N 1 0 319.361 1.816 20 5 DDBDRO C[C@H]1C[C@@H](C(=O)NCCNc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000279165401 409161828 /nfs/dbraw/zinc/16/18/28/409161828.db2.gz IQFZFLPGDNRFQS-STQMWFEESA-N 1 0 320.393 1.853 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H]1CCC[C@H]1CCO ZINC000279281368 409183747 /nfs/dbraw/zinc/18/37/47/409183747.db2.gz OKBUTHFRCGWCCY-MJBXVCDLSA-N 1 0 324.377 1.475 20 5 DDBDRO Cc1sc(C(=O)Nc2ccnn2CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000293923023 409206738 /nfs/dbraw/zinc/20/67/38/409206738.db2.gz BBSDBAHAPZJBCV-UHFFFAOYSA-N 1 0 323.378 1.975 20 5 DDBDRO COc1ccc(C[NH2+]C[C@@H](CO)[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000280315854 409291356 /nfs/dbraw/zinc/29/13/56/409291356.db2.gz OUWUNENRQDNYLV-STQMWFEESA-N 1 0 310.350 1.338 20 5 DDBDRO CCC[N@H+](CC)CCNC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000284321180 409318231 /nfs/dbraw/zinc/31/82/31/409318231.db2.gz HXTDCEBXPSSCSQ-UHFFFAOYSA-N 1 0 312.345 1.778 20 5 DDBDRO COc1cc(C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000262700103 163867387 /nfs/dbraw/zinc/86/73/87/163867387.db2.gz AONNUUCDFOBRPB-MWLCHTKSSA-N 1 0 323.349 1.340 20 5 DDBDRO Cc1c(C(=O)N[C@@H](C)CCC[NH3+])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000295199009 409369995 /nfs/dbraw/zinc/36/99/95/409369995.db2.gz JZTOKODLBBCZRI-QMMMGPOBSA-N 1 0 310.310 1.669 20 5 DDBDRO C[N@H+](CCCN1CCOCC1)CCc1ccccc1[N+](=O)[O-] ZINC000285203258 409402867 /nfs/dbraw/zinc/40/28/67/409402867.db2.gz DCXRDXVZNIWGGI-UHFFFAOYSA-N 1 0 307.394 1.791 20 5 DDBDRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000408156402 164245358 /nfs/dbraw/zinc/24/53/58/164245358.db2.gz ZJLFGGFCYWXNAQ-RYUDHWBXSA-N 1 0 321.381 1.222 20 5 DDBDRO C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000295477679 409500214 /nfs/dbraw/zinc/50/02/14/409500214.db2.gz YXANKEPDCRYUFO-STQMWFEESA-N 1 0 321.377 1.740 20 5 DDBDRO Cn1cc([C@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)C(C)(C)C)cn1 ZINC000342343177 409581081 /nfs/dbraw/zinc/58/10/81/409581081.db2.gz RRFGSZHBBKZVFU-ZDUSSCGKSA-N 1 0 306.370 1.902 20 5 DDBDRO C[N@H+](CC[C@H]1CCCO1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000342609863 409762638 /nfs/dbraw/zinc/76/26/38/409762638.db2.gz WGULFFXXYIXQOS-LSDHHAIUSA-N 1 0 324.377 1.835 20 5 DDBDRO [NH3+][C@@H]1CCCN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000346097136 409780487 /nfs/dbraw/zinc/78/04/87/409780487.db2.gz PXPAPIKPSLTYHA-LLVKDONJSA-N 1 0 320.349 1.316 20 5 DDBDRO CCC(=O)N[C@H]1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000354670548 410005248 /nfs/dbraw/zinc/00/52/48/410005248.db2.gz CESUBINIRMRZJW-ZDUSSCGKSA-N 1 0 321.377 1.964 20 5 DDBDRO COC(=O)COc1ccc(C[N@@H+]2C[C@H](O)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000355043804 410262100 /nfs/dbraw/zinc/26/21/00/410262100.db2.gz SNXIWNUJOQSTQZ-CMPLNLGQSA-N 1 0 324.333 1.102 20 5 DDBDRO C[C@H]1CCNC(=O)[C@@H]1[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000298551620 410285998 /nfs/dbraw/zinc/28/59/98/410285998.db2.gz OFMXMHAFWFRBID-IINYFYTJSA-N 1 0 320.349 1.038 20 5 DDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C[C@H](C)[NH+](C)[C@@H](C)C1 ZINC000339614069 410329663 /nfs/dbraw/zinc/32/96/63/410329663.db2.gz JIIXDRMVULFSSF-RWMBFGLXSA-N 1 0 320.393 1.946 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000352013313 410413422 /nfs/dbraw/zinc/41/34/22/410413422.db2.gz IPRQUWYDWRMPJD-MNOVXSKESA-N 1 0 309.370 1.041 20 5 DDBDRO O=[N+]([O-])c1ccccc1OCC[NH+]1CCC(OCCO)CC1 ZINC000339783385 410459820 /nfs/dbraw/zinc/45/98/20/410459820.db2.gz QZBKHYVXYZXACL-UHFFFAOYSA-N 1 0 310.350 1.447 20 5 DDBDRO COc1cc(C(=O)N[C@@H]2CCC[N@H+](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000343462141 410471605 /nfs/dbraw/zinc/47/16/05/410471605.db2.gz SVSKYJSTVGPQLM-CMPLNLGQSA-N 1 0 307.350 1.816 20 5 DDBDRO C[N@@H+]1CC[C@@](O)(CNc2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000358295505 410441826 /nfs/dbraw/zinc/44/18/26/410441826.db2.gz BRBMLXOIMXDKGO-CYBMUJFWSA-N 1 0 317.292 1.675 20 5 DDBDRO COC(=O)[C@H]1CCCC[C@]1(C)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000343668658 410605692 /nfs/dbraw/zinc/60/56/92/410605692.db2.gz ONPCRWDZCPUQBO-OCCSQVGLSA-N 1 0 310.354 1.503 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])c(NCC2CC[NH+](CCO)CC2)n1 ZINC000359107295 410558835 /nfs/dbraw/zinc/55/88/35/410558835.db2.gz ZTTGJUZMQPXMED-UHFFFAOYSA-N 1 0 308.382 1.723 20 5 DDBDRO C[C@H](C[NH3+])NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000347667131 410666138 /nfs/dbraw/zinc/66/61/38/410666138.db2.gz KACGICHPKPYEDZ-HTQZYQBOSA-N 1 0 301.730 1.479 20 5 DDBDRO C[N@@H+]1CCC[C@@H](N2CCN(c3ncccc3[N+](=O)[O-])CC2)C1 ZINC000301301642 410695993 /nfs/dbraw/zinc/69/59/93/410695993.db2.gz RKKUVLFDLJKLEJ-CYBMUJFWSA-N 1 0 305.382 1.206 20 5 DDBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337310863 410707387 /nfs/dbraw/zinc/70/73/87/410707387.db2.gz BOQVATCONKFUIF-QWHCGFSZSA-N 1 0 320.393 1.948 20 5 DDBDRO CC[C@@H](C)[NH2+][C@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])c1ccco1 ZINC000359533381 410714938 /nfs/dbraw/zinc/71/49/38/410714938.db2.gz AFCSYKBEFBUAQV-NXEZZACHSA-N 1 0 321.337 1.770 20 5 DDBDRO C[N@@H+]1CCO[C@@H]2CN(c3ccc([N+](=O)[O-])c4cccnc43)C[C@@H]21 ZINC000301692307 410774024 /nfs/dbraw/zinc/77/40/24/410774024.db2.gz ZDGNQSLMJRHHPY-LSDHHAIUSA-N 1 0 314.345 1.662 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1CN1CC[N@H+](C[C@@H](C)O)C[C@H]1C ZINC000337427430 410777441 /nfs/dbraw/zinc/77/74/41/410777441.db2.gz SWWNABANKIRICT-CHWSQXEVSA-N 1 0 323.393 1.490 20 5 DDBDRO C[C@H]1[C@H](NC(=O)NCCc2ccccc2[N+](=O)[O-])CCC[N@@H+]1C ZINC000343851573 410748321 /nfs/dbraw/zinc/74/83/21/410748321.db2.gz DMPRQEQLFFAHNJ-GXTWGEPZSA-N 1 0 320.393 1.919 20 5 DDBDRO CCc1nn(C)c(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000301928576 410834223 /nfs/dbraw/zinc/83/42/23/410834223.db2.gz ITWBEZSZLFXIID-WCQYABFASA-N 1 0 307.398 1.811 20 5 DDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000344032847 410909333 /nfs/dbraw/zinc/90/93/33/410909333.db2.gz DXYADTZBPRABOV-BAESOJJISA-N 1 0 319.361 1.625 20 5 DDBDRO COc1c(C(=O)N2CCC[C@@H]([NH+](C)C)C2)cccc1[N+](=O)[O-] ZINC000331050556 410918926 /nfs/dbraw/zinc/91/89/26/410918926.db2.gz ICCAPDNXUJBVGD-LLVKDONJSA-N 1 0 307.350 1.770 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)[C@H](C[NH3+])C1CC1 ZINC000359901754 410943270 /nfs/dbraw/zinc/94/32/70/410943270.db2.gz AAEXEFCCKPVPTE-CQSZACIVSA-N 1 0 306.366 1.511 20 5 DDBDRO CCc1n[nH]c(C(=O)NCC[N@@H+]2CCCC(C)(C)C2)c1[N+](=O)[O-] ZINC000331300874 411066152 /nfs/dbraw/zinc/06/61/52/411066152.db2.gz QZAUCAPYJLHYBQ-UHFFFAOYSA-N 1 0 323.397 1.732 20 5 DDBDRO C[C@@H]1C[C@H](C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)CC[N@@H+]1C ZINC000344215504 411032693 /nfs/dbraw/zinc/03/26/93/411032693.db2.gz KVGSQMLKHXEROH-NXEZZACHSA-N 1 0 317.349 2.140 20 5 DDBDRO C[NH+](C)CCNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000131129650 196142741 /nfs/dbraw/zinc/14/27/41/196142741.db2.gz QMJSUMKIFGWZFY-UHFFFAOYSA-N 1 0 316.155 1.649 20 5 DDBDRO Cc1ccc([C@@H](C)NC(=O)N2CC[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000417860081 225472382 /nfs/dbraw/zinc/47/23/82/225472382.db2.gz XPCIWLXMSRBYAC-VXGBXAGGSA-N 1 0 306.366 1.954 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1CN1CC[NH2+]C[C@H]1c1ccccc1 ZINC000420401763 226484530 /nfs/dbraw/zinc/48/45/30/226484530.db2.gz JJRJORZEMBSVHZ-ZDUSSCGKSA-N 1 0 301.350 1.475 20 5 DDBDRO CN(C(=O)CN1CCC2(CC[NH2+]2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000422638318 227083470 /nfs/dbraw/zinc/08/34/70/227083470.db2.gz QCAHLDYPGSTULP-UHFFFAOYSA-N 1 0 318.377 1.386 20 5 DDBDRO C[C@H]1OCC[C@@]12C[N@H+](CCn1ccc([N+](=O)[O-])n1)C[C@@H](C)O2 ZINC000366085792 418428668 /nfs/dbraw/zinc/42/86/68/418428668.db2.gz HCLAASYLJSHRBE-YRGRVCCFSA-N 1 0 310.354 1.060 20 5 DDBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000366332969 418459441 /nfs/dbraw/zinc/45/94/41/418459441.db2.gz PNBADEOIFUWTCF-ADEWGFFLSA-N 1 0 303.318 1.250 20 5 DDBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])nn2C)[C@@H](C)C1 ZINC000360740318 418504107 /nfs/dbraw/zinc/50/41/07/418504107.db2.gz VZUDDLHQLRPBNV-WDEREUQCSA-N 1 0 309.370 1.131 20 5 DDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000192666801 418525387 /nfs/dbraw/zinc/52/53/87/418525387.db2.gz ASCCOTNTUORFTG-ZDUSSCGKSA-N 1 0 323.397 1.278 20 5 DDBDRO O=C(NC1CC[NH2+]CC1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000422687718 227115736 /nfs/dbraw/zinc/11/57/36/227115736.db2.gz BYUYWOWYBQJPJR-UHFFFAOYSA-N 1 0 300.318 1.625 20 5 DDBDRO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000374836177 418567858 /nfs/dbraw/zinc/56/78/58/418567858.db2.gz ZICQNKHAXYJCMX-VHSXEESVSA-N 1 0 322.340 1.673 20 5 DDBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000366969973 418544860 /nfs/dbraw/zinc/54/48/60/418544860.db2.gz PBYLICGHDOLFLL-QWRGUYRKSA-N 1 0 311.313 1.375 20 5 DDBDRO C[C@H]([NH3+])CNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000194943840 418551659 /nfs/dbraw/zinc/55/16/59/418551659.db2.gz YUIPQKSDMICQHS-QMMMGPOBSA-N 1 0 301.730 1.481 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)n1 ZINC000191655427 222106049 /nfs/dbraw/zinc/10/60/49/222106049.db2.gz QMPRDMSFWFMXNQ-QWRGUYRKSA-N 1 0 309.370 1.414 20 5 DDBDRO CC(C)(C(=O)N[C@H]1C[C@@H]1C1CC[NH2+]CC1)n1cc([N+](=O)[O-])cn1 ZINC000361099933 418583015 /nfs/dbraw/zinc/58/30/15/418583015.db2.gz XFPGPQWHELVMGI-OLZOCXBDSA-N 1 0 321.381 1.031 20 5 DDBDRO C[N@@H+]1CC[C@H]2CCN(CCOc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000375036892 418593116 /nfs/dbraw/zinc/59/31/16/418593116.db2.gz IJGGVTLPBJRZJV-XJKSGUPXSA-N 1 0 305.378 2.000 20 5 DDBDRO C[NH+](C)CCOc1cnccc1CNc1ncc([N+](=O)[O-])s1 ZINC000341041665 418624413 /nfs/dbraw/zinc/62/44/13/418624413.db2.gz OKUYRVRQRQDLSV-UHFFFAOYSA-N 1 0 323.378 1.999 20 5 DDBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(c2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000341798428 418626035 /nfs/dbraw/zinc/62/60/35/418626035.db2.gz KYDVACWGURZCKD-TUAOUCFPSA-N 1 0 320.397 1.809 20 5 DDBDRO COC(=O)C[C@]1([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)CCOC1 ZINC000361740498 418703988 /nfs/dbraw/zinc/70/39/88/418703988.db2.gz JENZIGDFTLQXRH-OAHLLOKOSA-N 1 0 308.334 1.715 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[N@@H+]([C@H](C)CO)CC1 ZINC000364933276 418825443 /nfs/dbraw/zinc/82/54/43/418825443.db2.gz MCAKHAHZJYAURR-CYBMUJFWSA-N 1 0 321.377 1.432 20 5 DDBDRO CN(CC(=O)N[C@H]1CCC[NH2+]CC1)c1ccccc1[N+](=O)[O-] ZINC000372420189 418867988 /nfs/dbraw/zinc/86/79/88/418867988.db2.gz GBVASBVFNLJFFF-LBPRGKRZSA-N 1 0 306.366 1.289 20 5 DDBDRO CC1(CNC(=O)[C@H]2C[C@H]2[N+](=O)[O-])C[NH+](Cc2ccccc2)C1 ZINC000365564747 418876421 /nfs/dbraw/zinc/87/64/21/418876421.db2.gz NQUKJWWCAIJFKQ-UONOGXRCSA-N 1 0 303.362 1.290 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H]1CCCC[C@H]1N1CCOCC1 ZINC000365595281 418879779 /nfs/dbraw/zinc/87/97/79/418879779.db2.gz CQNHHDLGTGPFLY-CHWSQXEVSA-N 1 0 323.397 1.061 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@H]2c3ccccc3CC[C@@H]2CO)n1 ZINC000365268470 418847968 /nfs/dbraw/zinc/84/79/68/418847968.db2.gz PMQOJHMPHHDWMM-CZUORRHYSA-N 1 0 316.361 1.677 20 5 DDBDRO C[N@H+](C[C@@H]1CC12CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC2)C1CC1 ZINC000372840209 418907697 /nfs/dbraw/zinc/90/76/97/418907697.db2.gz VWHYNTQPSQAING-IACUBPJLSA-N 1 0 307.394 1.375 20 5 DDBDRO C[C@H]1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000424027249 228221012 /nfs/dbraw/zinc/22/10/12/228221012.db2.gz YEZNNSXKIDUIJR-RYUDHWBXSA-N 1 0 307.350 1.417 20 5 DDBDRO CC(C)C[C@H](C[NH3+])NC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000417931160 419396478 /nfs/dbraw/zinc/39/64/78/419396478.db2.gz BQHKARKIZQZEED-CYBMUJFWSA-N 1 0 308.382 1.810 20 5 DDBDRO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCC[C@H]3CCO)n2)cc1 ZINC000426225412 419409528 /nfs/dbraw/zinc/40/95/28/419409528.db2.gz FBRYOVKMNVMLIP-LBPRGKRZSA-N 1 0 318.333 1.992 20 5 DDBDRO COc1ccc(OCC[N@@H+]2C[C@@H](C)C[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC000420943304 419374014 /nfs/dbraw/zinc/37/40/14/419374014.db2.gz POQPOECQNYKBRA-STQMWFEESA-N 1 0 324.377 1.933 20 5 DDBDRO CC[C@@H]([NH3+])CNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000417988924 419451181 /nfs/dbraw/zinc/45/11/81/419451181.db2.gz KOLLCPYATQYSEB-LLVKDONJSA-N 1 0 314.773 1.827 20 5 DDBDRO CCOc1cc(C[NH2+][C@@H](CO)[C@H]2CCCOC2)ccc1[N+](=O)[O-] ZINC000411993362 419553660 /nfs/dbraw/zinc/55/36/60/419553660.db2.gz ZAQUAJJIIIDPTO-KBPBESRZSA-N 1 0 324.377 1.871 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2C[C@@H](O)C[C@H]2c2ccccc2)c1 ZINC000411938079 419507165 /nfs/dbraw/zinc/50/71/65/419507165.db2.gz JOCWHSLPFUPVNQ-GJZGRUSLSA-N 1 0 302.334 1.599 20 5 DDBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NCC1([NH3+])CCC1 ZINC000418528047 419857101 /nfs/dbraw/zinc/85/71/01/419857101.db2.gz QSHSHUFCJZTYTK-UHFFFAOYSA-N 1 0 306.366 1.660 20 5 DDBDRO CC[NH2+][C@H](C)CNC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000418596872 419893722 /nfs/dbraw/zinc/89/37/22/419893722.db2.gz ZDBDUSMJYGXKOP-LLVKDONJSA-N 1 0 322.365 1.365 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000299292017 229031917 /nfs/dbraw/zinc/03/19/17/229031917.db2.gz KBGVBRQFGPRTBM-LBPRGKRZSA-N 1 0 323.397 1.338 20 5 DDBDRO Cn1cc(CN2CC[C@H]([NH3+])C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000435377049 229379782 /nfs/dbraw/zinc/37/97/82/229379782.db2.gz XNOZWMUPTKGFAN-ZDUSSCGKSA-N 1 0 301.350 1.528 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]CC1(OC)CCOCC1 ZINC000428847074 419940390 /nfs/dbraw/zinc/94/03/90/419940390.db2.gz FIAOXJIXNJYSBW-UHFFFAOYSA-N 1 0 310.350 1.889 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CCCO[C@@H](C[NH3+])C1 ZINC000415115635 419952453 /nfs/dbraw/zinc/95/24/53/419952453.db2.gz VCEQYNSZWVPSFP-AWEZNQCLSA-N 1 0 309.366 1.543 20 5 DDBDRO C[C@@H](C[NH3+])CN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000423314287 420009853 /nfs/dbraw/zinc/00/98/53/420009853.db2.gz XYKXZFKNRBAHMJ-FZMZJTMJSA-N 1 0 303.366 1.602 20 5 DDBDRO COc1ccc(NC(=O)N[C@H]2CC[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000415447767 420070513 /nfs/dbraw/zinc/07/05/13/420070513.db2.gz ULYGXTYEWRYIPP-UWVGGRQHSA-N 1 0 308.338 1.852 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000423516132 420069364 /nfs/dbraw/zinc/06/93/64/420069364.db2.gz ATPHVCOBQQVXIN-INIZCTEOSA-N 1 0 319.361 1.819 20 5 DDBDRO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000415386383 420045124 /nfs/dbraw/zinc/04/51/24/420045124.db2.gz OXHIDIZDAIBMJF-SNVBAGLBSA-N 1 0 320.349 1.119 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000415504196 420093713 /nfs/dbraw/zinc/09/37/13/420093713.db2.gz PCHCGHMPTIQXFU-VHSXEESVSA-N 1 0 308.338 1.995 20 5 DDBDRO COC(=O)c1cc(C(=O)N[C@H](C)CCCC[NH3+])cc([N+](=O)[O-])c1 ZINC000423648385 420112819 /nfs/dbraw/zinc/11/28/19/420112819.db2.gz DNZQYQXAHDUPDG-SNVBAGLBSA-N 1 0 323.349 1.629 20 5 DDBDRO O=C(CCN1CC[C@H]2CC[C@@H](C1)[NH2+]2)Nc1ccc([N+](=O)[O-])cc1 ZINC000430553063 420136524 /nfs/dbraw/zinc/13/65/24/420136524.db2.gz SXEMLOLAFZELOX-KGLIPLIRSA-N 1 0 318.377 1.750 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(C)C1CC([NH3+])C1 ZINC000415659747 420139873 /nfs/dbraw/zinc/13/98/73/420139873.db2.gz OZWDSZINBMWNIM-UHFFFAOYSA-N 1 0 308.338 1.947 20 5 DDBDRO COC(=O)c1cc(C(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)cc([N+](=O)[O-])c1 ZINC000423534938 420075171 /nfs/dbraw/zinc/07/51/71/420075171.db2.gz WTZKJVXKJPVCPJ-VHSXEESVSA-N 1 0 321.333 1.191 20 5 DDBDRO C[NH2+]C[C@@H]1CCCN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000420285650 420183528 /nfs/dbraw/zinc/18/35/28/420183528.db2.gz FHSBWZMYZUIKQQ-LBPRGKRZSA-N 1 0 306.366 1.607 20 5 DDBDRO Cc1cc(OCC(=O)N[C@H]2CCC[N@H+](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000430787131 420190328 /nfs/dbraw/zinc/19/03/28/420190328.db2.gz FFLGINURLBHFHV-OCCSQVGLSA-N 1 0 321.377 1.881 20 5 DDBDRO Cc1ccc(NC(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)cc1[N+](=O)[O-] ZINC000415682486 420145528 /nfs/dbraw/zinc/14/55/28/420145528.db2.gz BGJQRVOAIYQYHG-HNNXBMFYSA-N 1 0 320.349 1.039 20 5 DDBDRO C[NH2+][C@@H]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430588721 420148772 /nfs/dbraw/zinc/14/87/72/420148772.db2.gz AIPGPLDFMSIWEX-LLVKDONJSA-N 1 0 322.365 1.226 20 5 DDBDRO [NH3+]C[C@H]1CCCCN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000430600211 420153544 /nfs/dbraw/zinc/15/35/44/420153544.db2.gz AWMUVZQSIZACGR-CYBMUJFWSA-N 1 0 317.349 1.958 20 5 DDBDRO CCc1cc(N[C@@H](C)C[NH3+])nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000420251379 420169127 /nfs/dbraw/zinc/16/91/27/420169127.db2.gz WOHUGBAPAMPVIM-JTQLQIEISA-N 1 0 301.350 1.795 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000415790308 420177648 /nfs/dbraw/zinc/17/76/48/420177648.db2.gz RLWCQQMYWRVKSK-VHSXEESVSA-N 1 0 308.338 1.002 20 5 DDBDRO C[C@H]1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000420347817 420226846 /nfs/dbraw/zinc/22/68/46/420226846.db2.gz ZJDQWYMVYFRGNC-QWHCGFSZSA-N 1 0 320.393 1.983 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000420360444 420234989 /nfs/dbraw/zinc/23/49/89/420234989.db2.gz HDQOPAGQOPUWJY-TYNCELHUSA-N 1 0 320.393 1.818 20 5 DDBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000435243124 420263118 /nfs/dbraw/zinc/26/31/18/420263118.db2.gz QYSMAPWMFZRJHK-OAHLLOKOSA-N 1 0 303.362 1.880 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NCC[C@@H](C)[NH3+])c1 ZINC000420413578 420269319 /nfs/dbraw/zinc/26/93/19/420269319.db2.gz FHUFSGLIDRIENN-SECBINFHSA-N 1 0 301.368 1.227 20 5 DDBDRO COC(=O)c1cc(C)nc(N(C)C[C@@H]2CCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000420638582 420338258 /nfs/dbraw/zinc/33/82/58/420338258.db2.gz QQAWEXXOKDCXHM-NSHDSACASA-N 1 0 322.365 1.615 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000423997030 420298510 /nfs/dbraw/zinc/29/85/10/420298510.db2.gz KVLSNOMAWXMWSF-LBPRGKRZSA-N 1 0 307.350 1.238 20 5 DDBDRO C[NH+](C)[C@H]1CCC[C@@H](Nc2ccc3ncc([N+](=O)[O-])n3n2)C1 ZINC000301974694 230013431 /nfs/dbraw/zinc/01/34/31/230013431.db2.gz VNFJTEXNKUIQPA-MNOVXSKESA-N 1 0 304.354 1.922 20 5 DDBDRO C[C@H]1C[C@H](C[NH3+])CN1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000447249502 230349464 /nfs/dbraw/zinc/34/94/64/230349464.db2.gz UNFIOULFFBHPTJ-CMPLNLGQSA-N 1 0 313.379 1.094 20 5 DDBDRO C[C@]1(C[NH3+])CCN(C(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000493042060 420742030 /nfs/dbraw/zinc/74/20/30/420742030.db2.gz BCCSICBTCMRKCJ-SJDLMVEWSA-N 1 0 307.325 1.944 20 5 DDBDRO C[C@@H]1C[C@H](C[NH3+])CN1[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000442757058 420707591 /nfs/dbraw/zinc/70/75/91/420707591.db2.gz GAHNKSDHRVTHBP-JMSVASOKSA-N 1 0 318.377 1.369 20 5 DDBDRO COC[C@H](C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)OC ZINC000447598996 420783628 /nfs/dbraw/zinc/78/36/28/420783628.db2.gz JIFTYFZXKXPQNC-YNEHKIRRSA-N 1 0 312.370 1.526 20 5 DDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCCn2ccnn2)n1 ZINC000447596145 420784062 /nfs/dbraw/zinc/78/40/62/420784062.db2.gz BMXIXQIFUGDWRL-QWHCGFSZSA-N 1 0 319.369 1.546 20 5 DDBDRO Cn1nccc1[C@H](CO)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000459749135 420863446 /nfs/dbraw/zinc/86/34/46/420863446.db2.gz JMFWYKCMFSBXEL-ZDUSSCGKSA-N 1 0 306.322 1.030 20 5 DDBDRO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccn(C)n1 ZINC000459784913 420872458 /nfs/dbraw/zinc/87/24/58/420872458.db2.gz JTSPSTVCJFMJIY-NWDGAFQWSA-N 1 0 320.349 1.419 20 5 DDBDRO CO[C@@H]1COC[C@@H]1[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000459825794 420884927 /nfs/dbraw/zinc/88/49/27/420884927.db2.gz LRRYDWAXEPKXKP-UONOGXRCSA-N 1 0 323.349 1.235 20 5 DDBDRO COC(=O)COC[C@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000449130745 420956222 /nfs/dbraw/zinc/95/62/22/420956222.db2.gz HPHMNOXEFRECHY-JTQLQIEISA-N 1 0 312.322 1.271 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000449660831 421050470 /nfs/dbraw/zinc/05/04/70/421050470.db2.gz HCKIANHIPXPEAQ-NSHDSACASA-N 1 0 315.276 1.330 20 5 DDBDRO CNc1nc(C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000455769101 421060156 /nfs/dbraw/zinc/06/01/56/421060156.db2.gz YUSJAPJMERAGML-ZJUUUORDSA-N 1 0 307.354 1.244 20 5 DDBDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000487437508 421025626 /nfs/dbraw/zinc/02/56/26/421025626.db2.gz ILZZPABOALXJNE-NWDGAFQWSA-N 1 0 323.397 1.515 20 5 DDBDRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000449615605 421039045 /nfs/dbraw/zinc/03/90/45/421039045.db2.gz MQTFNSSAJFDXHR-FVGKDHOHSA-N 1 0 319.361 1.606 20 5 DDBDRO [NH3+][C@H]1CCC[C@@H](CNC(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000449637142 421041611 /nfs/dbraw/zinc/04/16/11/421041611.db2.gz GBDCHPZGADDFMF-OLZOCXBDSA-N 1 0 321.377 1.997 20 5 DDBDRO CCCc1n[nH]c(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)c1[N+](=O)[O-] ZINC000449714409 421066985 /nfs/dbraw/zinc/06/69/85/421066985.db2.gz BXMMYFQTGKTVNV-ZETCQYMHSA-N 1 0 323.275 1.280 20 5 DDBDRO CCC[NH+]1CCC(CNC(=O)c2cc([N+](=O)[O-])cn2C)CC1 ZINC000522789759 421226052 /nfs/dbraw/zinc/22/60/52/421226052.db2.gz XLMNMHJYABLFJN-UHFFFAOYSA-N 1 0 308.382 1.785 20 5 DDBDRO COC(=O)CN(Cc1cccc([N+](=O)[O-])c1)C1CCOCC1 ZINC000524752516 421269198 /nfs/dbraw/zinc/26/91/98/421269198.db2.gz OEEXXHPBKAIDKQ-UHFFFAOYSA-N 1 0 308.334 1.749 20 5 DDBDRO CNc1ccc(C(=O)N[C@H](CC[NH3+])C(F)(F)F)cc1[N+](=O)[O-] ZINC000562668018 421395397 /nfs/dbraw/zinc/39/53/97/421395397.db2.gz WHUWYNOPXLLFLK-SNVBAGLBSA-N 1 0 320.271 1.646 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)NCCc2cncn2C)c1[N+](=O)[O-] ZINC000548132538 421404592 /nfs/dbraw/zinc/40/45/92/421404592.db2.gz VDOZQBHDAOCUCU-UHFFFAOYSA-N 1 0 306.326 1.147 20 5 DDBDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC000548739583 421469401 /nfs/dbraw/zinc/46/94/01/421469401.db2.gz JJZNFXTYRBAOAV-PHIMTYICSA-N 1 0 323.397 1.804 20 5 DDBDRO Cc1ccc(NC(=O)N2CCN(C)C[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000564425685 421585198 /nfs/dbraw/zinc/58/51/98/421585198.db2.gz JSPSBBLWRJNZFK-LBPRGKRZSA-N 1 0 307.354 1.010 20 5 DDBDRO CC(C)(O)C[N@H+](CCn1ccc([N+](=O)[O-])n1)C1CCOCC1 ZINC000531416300 421633749 /nfs/dbraw/zinc/63/37/49/421633749.db2.gz ALYISWCLRQBIHA-UHFFFAOYSA-N 1 0 312.370 1.043 20 5 DDBDRO O=C(CC[NH2+]CCCn1cccn1)Nc1ccccc1[N+](=O)[O-] ZINC000554527191 421646521 /nfs/dbraw/zinc/64/65/21/421646521.db2.gz AFDOAFKYOWXABG-UHFFFAOYSA-N 1 0 317.349 1.800 20 5 DDBDRO COCC[C@]1([NH2+]Cc2cc([N+](=O)[O-])ccc2OC)CCOC1 ZINC000519623078 421708428 /nfs/dbraw/zinc/70/84/28/421708428.db2.gz ADIWWMUKBSOEQF-HNNXBMFYSA-N 1 0 310.350 1.889 20 5 DDBDRO COc1cc(C(=O)N2CC[C@H]([NH3+])C[C@@H]2C)cc([N+](=O)[O-])c1C ZINC000556705682 421725567 /nfs/dbraw/zinc/72/55/67/421725567.db2.gz IUVUHAYVVYPBSF-CABZTGNLSA-N 1 0 307.350 1.864 20 5 DDBDRO CNc1nccc(C(=O)N(CC[NH+](C)C)CC(C)C)c1[N+](=O)[O-] ZINC000571580323 421727804 /nfs/dbraw/zinc/72/78/04/421727804.db2.gz WPRQRINMXNWGOA-UHFFFAOYSA-N 1 0 323.397 1.691 20 5 DDBDRO COc1ccc(CNC[C@@H](O)C[N@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000571577280 421727945 /nfs/dbraw/zinc/72/79/45/421727945.db2.gz JTEHJVNBWYISEM-CYBMUJFWSA-N 1 0 309.366 1.148 20 5 DDBDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000570814537 421670415 /nfs/dbraw/zinc/67/04/15/421670415.db2.gz CPDHGYLPXCRLAM-NWDGAFQWSA-N 1 0 322.365 1.352 20 5 DDBDRO CC[N@@H+]1CCC[C@H](CNC(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000542651509 421826129 /nfs/dbraw/zinc/82/61/29/421826129.db2.gz GJAKEZXNICBHNP-CQSZACIVSA-N 1 0 305.378 1.985 20 5 DDBDRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000521041354 421769969 /nfs/dbraw/zinc/76/99/69/421769969.db2.gz DJNFNYWQAARDBG-SKDRFNHKSA-N 1 0 321.333 1.094 20 5 DDBDRO O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC3(CC[NH2+]3)CC2)c1 ZINC000521225623 421778286 /nfs/dbraw/zinc/77/82/86/421778286.db2.gz LIHRRQMBGIGYDS-UHFFFAOYSA-N 1 0 311.363 1.111 20 5 DDBDRO O=C(C[C@@H]1CCC[NH2+]C1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000572780830 421859956 /nfs/dbraw/zinc/85/99/56/421859956.db2.gz WNUIUMUWZTWVTK-LBPRGKRZSA-N 1 0 303.362 1.869 20 5 DDBDRO CN(C)C(=O)CCC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000574627811 422144290 /nfs/dbraw/zinc/14/42/90/422144290.db2.gz AWAUWAKPNDIPSF-LBPRGKRZSA-N 1 0 321.381 1.344 20 5 DDBDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000598259941 422394993 /nfs/dbraw/zinc/39/49/93/422394993.db2.gz GNMJIEVSGJPEBL-NSHDSACASA-N 1 0 321.381 1.422 20 5 DDBDRO CC(=O)NCC[N@@H+](C)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000578010672 422476334 /nfs/dbraw/zinc/47/63/34/422476334.db2.gz YEIYOTLCJAGHTF-UHFFFAOYSA-N 1 0 322.365 1.300 20 5 DDBDRO Cc1nn(CCC(=O)NCCC[NH2+]C2CC2)c(C)c1[N+](=O)[O-] ZINC000578751831 422638028 /nfs/dbraw/zinc/63/80/28/422638028.db2.gz VPIRZAAGDHPFHE-UHFFFAOYSA-N 1 0 309.370 1.057 20 5 DDBDRO NC(=O)c1cccc([N+](=O)[O-])c1N1CC[C@H]([NH+]2CCCC2)C1 ZINC000579217906 422725048 /nfs/dbraw/zinc/72/50/48/422725048.db2.gz WGTLCBDKIYKLSU-NSHDSACASA-N 1 0 304.350 1.368 20 5 DDBDRO CC[NH2+]CCCNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000036299419 263254069 /nfs/dbraw/zinc/25/40/69/263254069.db2.gz WSVKXRUGZUYAOC-UHFFFAOYSA-N 1 0 301.368 1.014 20 5 DDBDRO CNC(=O)[C@@H]([NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1C)C(C)C ZINC000183659084 263381881 /nfs/dbraw/zinc/38/18/81/263381881.db2.gz VPXYZTNNBAWENR-AWEZNQCLSA-N 1 0 322.365 1.202 20 5 DDBDRO COc1cc(C[NH2+]C[C@H](CO)C(C)C)c([N+](=O)[O-])cc1OC ZINC000342225462 271345529 /nfs/dbraw/zinc/34/55/29/271345529.db2.gz WVRORGIUBYMZMI-GFCCVEGCSA-N 1 0 312.366 1.966 20 5 DDBDRO C[N@@H+]1CCC[C@@H]2CN(c3cccc(C(N)=O)c3[N+](=O)[O-])CC[C@@H]21 ZINC000342706710 271483428 /nfs/dbraw/zinc/48/34/28/271483428.db2.gz ROVWMGGYPISMEF-YPMHNXCESA-N 1 0 318.377 1.614 20 5 DDBDRO CCCc1n[nH]c(C(=O)N[C@@H]2CCC[N@H+](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000345282719 272208343 /nfs/dbraw/zinc/20/83/43/272208343.db2.gz GQZPHLHXPBGOES-NXEZZACHSA-N 1 0 309.370 1.483 20 5 DDBDRO CC[C@@H](C)[N@H+](CCO)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000347479195 272703728 /nfs/dbraw/zinc/70/37/28/272703728.db2.gz RUFGDDGNJQTUAN-GFCCVEGCSA-N 1 0 309.366 1.935 20 5 DDBDRO CC[NH2+][C@H](C)CNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000262455760 273686920 /nfs/dbraw/zinc/68/69/20/273686920.db2.gz LBPMNCIVJDONQL-LLVKDONJSA-N 1 0 317.349 1.508 20 5 DDBDRO CCc1nn(C)c(N[C@H](CO)CC[NH+](CC)CC)c1[N+](=O)[O-] ZINC000340884830 276700304 /nfs/dbraw/zinc/70/03/04/276700304.db2.gz WINVFTHWWMQTBG-NSHDSACASA-N 1 0 313.402 1.395 20 5 DDBDRO C[NH2+]C1CCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000430935376 277263303 /nfs/dbraw/zinc/26/33/03/277263303.db2.gz PYJNXJBKEIZOCR-HNNXBMFYSA-N 1 0 318.377 1.384 20 5 DDBDRO COC(=O)Cc1ccc(N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000294851141 277331389 /nfs/dbraw/zinc/33/13/89/277331389.db2.gz CCSMJWSZMGLKRO-TXEJJXNPSA-N 1 0 321.377 1.839 20 5 DDBDRO COC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000136635651 277570485 /nfs/dbraw/zinc/57/04/85/277570485.db2.gz VXHBWNXNDLSSGK-IINYFYTJSA-N 1 0 307.350 1.936 20 5 DDBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C1CCS(=O)(=O)CC1 ZINC000187318111 278357876 /nfs/dbraw/zinc/35/78/76/278357876.db2.gz CFHSYCJNXQWZMP-LLVKDONJSA-N 1 0 312.391 1.898 20 5 DDBDRO Cc1ccc([C@@H](C)NC(=O)C[NH2+]C[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000237610446 278841708 /nfs/dbraw/zinc/84/17/08/278841708.db2.gz PYRVEXMZSZAJQT-TZMCWYRMSA-N 1 0 321.377 1.849 20 5 DDBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)C[C@@H]1CCC[N@@H+]1C ZINC000421002728 279237231 /nfs/dbraw/zinc/23/72/31/279237231.db2.gz MOXRGLXWLLBSRP-OLZOCXBDSA-N 1 0 320.393 1.948 20 5 DDBDRO C[C@@H]1CN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])[C@@H](C)C[NH2+]1 ZINC000156193786 288238540 /nfs/dbraw/zinc/23/85/40/288238540.db2.gz IMBPRTGYELLMQG-BDAKNGLRSA-N 1 0 317.342 1.105 20 5 DDBDRO CN(CCC(=O)Nc1ccccc1[N+](=O)[O-])CC[NH+]1CCCC1 ZINC000089898545 281027105 /nfs/dbraw/zinc/02/71/05/281027105.db2.gz FUZURQWGMOLQIL-UHFFFAOYSA-N 1 0 320.393 1.951 20 5 DDBDRO C[C@@H]1CCC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H]1CO ZINC000125231033 281204631 /nfs/dbraw/zinc/20/46/31/281204631.db2.gz TUCRKFAXGKSFBY-IVMMDQJWSA-N 1 0 324.377 1.427 20 5 DDBDRO C[NH+]1CCC(CNC(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000127397153 281273810 /nfs/dbraw/zinc/27/38/10/281273810.db2.gz XEHPMTOQMBIALP-UHFFFAOYSA-N 1 0 307.350 1.432 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N(CC[NH+](C)C)c1ccccc1 ZINC000165361640 298215975 /nfs/dbraw/zinc/21/59/75/298215975.db2.gz LMYCHZQGPZRUQB-UHFFFAOYSA-N 1 0 317.349 1.537 20 5 DDBDRO CC(C)(C)OC(=O)[C@](C)(O)C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000362107729 300007510 /nfs/dbraw/zinc/00/75/10/300007510.db2.gz XAUQQGVWKIVYDM-OAHLLOKOSA-N 1 0 310.350 1.777 20 5 DDBDRO C[C@@H](CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)[NH+](C)C ZINC000362501474 300079412 /nfs/dbraw/zinc/07/94/12/300079412.db2.gz VKJVDRUUTUIVOI-QMMMGPOBSA-N 1 0 301.293 1.482 20 5 DDBDRO O=C(N[C@H]1CCC[NH2+]CC1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000363999415 300334063 /nfs/dbraw/zinc/33/40/63/300334063.db2.gz NJHVJVSHYCMDTE-JTQLQIEISA-N 1 0 321.333 1.238 20 5 DDBDRO CC(C)C[N@@H+]1CCCN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000364208657 300357171 /nfs/dbraw/zinc/35/71/71/300357171.db2.gz CZGCCGFTJMGHDQ-UHFFFAOYSA-N 1 0 323.397 1.372 20 5 DDBDRO O=[N+]([O-])c1cccc(OCC[NH+]2CCC(n3cncn3)CC2)c1 ZINC000368847297 301095435 /nfs/dbraw/zinc/09/54/35/301095435.db2.gz WXLXGZNWOVYKIO-UHFFFAOYSA-N 1 0 317.349 1.902 20 5 DDBDRO CCc1n[nH]c(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)c1[N+](=O)[O-] ZINC000369136220 301135723 /nfs/dbraw/zinc/13/57/23/301135723.db2.gz ARLBGOKATIXBSH-SNVBAGLBSA-N 1 0 321.381 1.627 20 5 DDBDRO Cc1cc(C)c(S(=O)(=O)N[C@@H](C)[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000420447711 301198097 /nfs/dbraw/zinc/19/80/97/301198097.db2.gz VGBLYIANQHESIF-ZJUUUORDSA-N 1 0 301.368 1.226 20 5 DDBDRO CN(CC(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1)c1ccccc1[N+](=O)[O-] ZINC000373066283 301657892 /nfs/dbraw/zinc/65/78/92/301657892.db2.gz POWMVDQSMOAEID-STQMWFEESA-N 1 0 318.377 1.241 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000235361747 302048675 /nfs/dbraw/zinc/04/86/75/302048675.db2.gz LYXHXMCKXNASLG-GHMZBOCLSA-N 1 0 313.379 1.322 20 5 DDBDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000377058245 302138974 /nfs/dbraw/zinc/13/89/74/302138974.db2.gz VKAYDHXURRATFT-WDEREUQCSA-N 1 0 306.322 1.052 20 5 DDBDRO O=[N+]([O-])c1ccn(CCN2CCC[C@@H]([NH+]3CCCCC3)C2)n1 ZINC000377946119 302253954 /nfs/dbraw/zinc/25/39/54/302253954.db2.gz BJGSTLWOBTVUTK-CQSZACIVSA-N 1 0 307.398 1.742 20 5 DDBDRO CO[C@H]1C[C@@H]([NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1(C)C ZINC000451496039 302399951 /nfs/dbraw/zinc/39/99/51/302399951.db2.gz LOXNUFSAGVQUIQ-OLZOCXBDSA-N 1 0 307.350 1.597 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1C[C@H](O)C1(C)C ZINC000516192086 302786585 /nfs/dbraw/zinc/78/65/85/302786585.db2.gz RMZLJOUIVNHWQJ-OLZOCXBDSA-N 1 0 323.349 1.291 20 5 DDBDRO C[C@@H](C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])N(C)C1CC1 ZINC000517922110 302820395 /nfs/dbraw/zinc/82/03/95/302820395.db2.gz FGBIFWXECUZDIO-JSGCOSHPSA-N 1 0 323.393 1.407 20 5 DDBDRO C[C@H](C[NH3+])N(C)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000521877049 302882112 /nfs/dbraw/zinc/88/21/12/302882112.db2.gz UDFZVTUZAKLJCZ-GFCCVEGCSA-N 1 0 320.393 1.617 20 5 DDBDRO CCc1ccc(C(=O)NC[C@@]2(COC)CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000357298304 306874689 /nfs/dbraw/zinc/87/46/89/306874689.db2.gz ZNJZGLNSFKKEDD-MRXNPFEDSA-N 1 0 321.377 1.656 20 5 DDBDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532143142 303277121 /nfs/dbraw/zinc/27/71/21/303277121.db2.gz ILDQSLNUEIAVRC-GFCCVEGCSA-N 1 0 306.366 1.936 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C[C@H]2CCCCO2)c1 ZINC000560859177 303827010 /nfs/dbraw/zinc/82/70/10/303827010.db2.gz ULZCLFHGZZRMMZ-DZGCQCFKSA-N 1 0 310.350 1.493 20 5 DDBDRO C[C@H]1C[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@H]1CO ZINC000362090445 307013992 /nfs/dbraw/zinc/01/39/92/307013992.db2.gz NHQPITCKCCIFJK-AAEUAGOBSA-N 1 0 319.361 1.044 20 5 DDBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000362254293 307015641 /nfs/dbraw/zinc/01/56/41/307015641.db2.gz ZFTWMTJZXLPMRR-LBPRGKRZSA-N 1 0 308.382 1.737 20 5 DDBDRO C[C@H](CO)[N@@H+]1CCCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000364894536 307052829 /nfs/dbraw/zinc/05/28/29/307052829.db2.gz KJRYQMPIIXWBNE-CQSZACIVSA-N 1 0 323.393 1.362 20 5 DDBDRO COC(=O)c1cnc(N2CC[C@H]3CC[N@H+](C)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000365078312 307057930 /nfs/dbraw/zinc/05/79/30/307057930.db2.gz STZDXCWYRUIEIG-ZWNOBZJWSA-N 1 0 320.349 1.307 20 5 DDBDRO CC(=O)c1cc(N2CCC[N@@H+]([C@@H](C)CO)CC2)ccc1[N+](=O)[O-] ZINC000367450000 307093934 /nfs/dbraw/zinc/09/39/34/307093934.db2.gz GEAGKCHGIABNAW-LBPRGKRZSA-N 1 0 321.377 1.690 20 5 DDBDRO C[N@@H+]1CCCC12CCN(c1ccc(C(N)=O)cc1[N+](=O)[O-])CC2 ZINC000368881836 307112311 /nfs/dbraw/zinc/11/23/11/307112311.db2.gz IIJUCQDAIUJYCL-UHFFFAOYSA-N 1 0 318.377 1.758 20 5 DDBDRO COCC[C@]1(C(=O)NCCc2ccccc2[N+](=O)[O-])CC[NH2+]C1 ZINC000370778241 307136213 /nfs/dbraw/zinc/13/62/13/307136213.db2.gz DSJBAXGIBHKXAL-MRXNPFEDSA-N 1 0 321.377 1.270 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1CN1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000373973973 307198892 /nfs/dbraw/zinc/19/88/92/307198892.db2.gz CLLMSHQCONJHFL-XEGUGMAKSA-N 1 0 319.361 1.689 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc(F)ccc3[N+](=O)[O-])C[C@H]21 ZINC000378474493 307288790 /nfs/dbraw/zinc/28/87/90/307288790.db2.gz RBEOYIPRHRRNOW-QMTHXVAHSA-N 1 0 307.325 1.900 20 5 DDBDRO O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC000404007304 307297566 /nfs/dbraw/zinc/29/75/66/307297566.db2.gz OMFBZUTUEROVKZ-WFVIONGDSA-N 1 0 317.345 1.197 20 5 DDBDRO CC1(C)CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCS1 ZINC000434696157 307304457 /nfs/dbraw/zinc/30/44/57/307304457.db2.gz XBGHLPRKAPFRHF-LBPRGKRZSA-N 1 0 314.411 1.370 20 5 DDBDRO O=C1OCCN1C[C@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000496780942 307360908 /nfs/dbraw/zinc/36/09/08/307360908.db2.gz IQYMWXYBLBBDID-AWEZNQCLSA-N 1 0 319.361 1.911 20 5 DDBDRO CC[NH+](CC)CC[C@H](CO)NC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000535836238 307660831 /nfs/dbraw/zinc/66/08/31/307660831.db2.gz MLAWRFZXDZVNJN-CYBMUJFWSA-N 1 0 323.393 1.726 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H]1CC[C@H](CO)CC1 ZINC000563143546 307958302 /nfs/dbraw/zinc/95/83/02/307958302.db2.gz SJJFJWDOJHOEEL-MGPQQGTHSA-N 1 0 324.377 1.475 20 5 DDBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000566975264 308067486 /nfs/dbraw/zinc/06/74/86/308067486.db2.gz YPFVKQCJTJCNEP-GHMZBOCLSA-N 1 0 317.349 1.636 20 5 DDBDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000567667452 308088806 /nfs/dbraw/zinc/08/88/06/308088806.db2.gz LWHDKIQYGYDOLR-BXKDBHETSA-N 1 0 321.333 1.094 20 5 DDBDRO Cc1nn(C)c(C(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC000567828347 308096911 /nfs/dbraw/zinc/09/69/11/308096911.db2.gz LOBZUHOYQDBIGL-VXGBXAGGSA-N 1 0 321.381 1.098 20 5 DDBDRO CCCN(C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)[C@@H]1CC[NH2+]C1 ZINC000571039323 308189575 /nfs/dbraw/zinc/18/95/75/308189575.db2.gz XDQNIUAGGHFYFC-SNVBAGLBSA-N 1 0 321.333 1.538 20 5 DDBDRO C[C@@H]1CCCC[C@@H]1CC[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000573713509 308250235 /nfs/dbraw/zinc/25/02/35/308250235.db2.gz WRFJRCBDYQOAIN-NFAWXSAZSA-N 1 0 310.398 1.958 20 5 DDBDRO CC(C)(C(=O)NCC1CC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1 ZINC000576576652 308324254 /nfs/dbraw/zinc/32/42/54/308324254.db2.gz IQFQDKITRKKVQL-UHFFFAOYSA-N 1 0 305.378 1.988 20 5 DDBDRO C[NH2+]CCC1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC1 ZINC000579950770 308568916 /nfs/dbraw/zinc/56/89/16/308568916.db2.gz SELYZVKSRNQIRO-UHFFFAOYSA-N 1 0 308.338 1.157 20 5 DDBDRO CC(C)[C@@H]([NH3+])CNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000580324526 308596515 /nfs/dbraw/zinc/59/65/15/308596515.db2.gz XXBKDICHCIXUSJ-NSHDSACASA-N 1 0 309.322 1.079 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CC2(CO)CCCC2)c1 ZINC000580563738 308614831 /nfs/dbraw/zinc/61/48/31/308614831.db2.gz AREZLFKZUFMAFR-CQSZACIVSA-N 1 0 324.377 1.477 20 5 DDBDRO Cc1nnsc1C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000580829173 308634074 /nfs/dbraw/zinc/63/40/74/308634074.db2.gz BBPZMKMMLXTMSF-UHFFFAOYSA-N 1 0 321.362 1.873 20 5 DDBDRO CC(=O)N1CC([NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000583703537 337092243 /nfs/dbraw/zinc/09/22/43/337092243.db2.gz AKJOPORSDRFWTR-STQMWFEESA-N 1 0 307.354 1.095 20 5 DDBDRO C[C@]1(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CCCO1 ZINC000582901056 337213004 /nfs/dbraw/zinc/21/30/04/337213004.db2.gz XTJQTAZKHSLIPL-SWLSCSKDSA-N 1 0 310.350 1.493 20 5 DDBDRO O=C(C[C@@H]1C[NH2+]CCO1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000583087661 337234141 /nfs/dbraw/zinc/23/41/41/337234141.db2.gz ZRJJKRVMZKTDDQ-OAHLLOKOSA-N 1 0 319.361 1.464 20 5 DDBDRO [NH3+]CC[C@@H](NC(=O)c1ccc(F)cc1[N+](=O)[O-])C(F)(F)F ZINC000307807077 484376448 /nfs/dbraw/zinc/37/64/48/484376448.db2.gz DGHRLSOYKWZECF-SECBINFHSA-N 1 0 309.219 1.743 20 5 DDBDRO C[C@H]([NH2+]CCCN1C(=O)CNC1=O)c1ccc([N+](=O)[O-])cc1 ZINC000296699413 533846151 /nfs/dbraw/zinc/84/61/51/533846151.db2.gz KSMBKFIJHHYCKG-JTQLQIEISA-N 1 0 306.322 1.187 20 5 DDBDRO COC(=O)c1cc(NC(=O)N[C@@H](C)[C@@H](C)[NH3+])c(C)c([N+](=O)[O-])c1 ZINC000415606943 533876788 /nfs/dbraw/zinc/87/67/88/533876788.db2.gz ZGHWPLVJYDWUMN-BDAKNGLRSA-N 1 0 324.337 1.547 20 5 DDBDRO C[C@H](CC[NH+](C)C)NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000443787529 533892873 /nfs/dbraw/zinc/89/28/73/533892873.db2.gz XSUNFPOBYWFDNQ-LLVKDONJSA-N 1 0 315.395 1.354 20 5 DDBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000451634546 534298625 /nfs/dbraw/zinc/29/86/25/534298625.db2.gz RQCMMHGSWHRGIR-TYNCELHUSA-N 1 0 318.377 1.558 20 5 DDBDRO CC(C)(CC[NH3+])NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000424043198 527029267 /nfs/dbraw/zinc/02/92/67/527029267.db2.gz BFYXSGCJYVOHNW-UHFFFAOYSA-N 1 0 317.349 1.638 20 5 DDBDRO CCC[N@H+](C)CC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444643263 527819993 /nfs/dbraw/zinc/81/99/93/527819993.db2.gz YRJGMKAFYDDTGT-UHFFFAOYSA-N 1 0 305.338 1.429 20 5 DDBDRO CC[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@H](C)CO ZINC000292360272 527900938 /nfs/dbraw/zinc/90/09/38/527900938.db2.gz XYVYYICFYUNISA-LLVKDONJSA-N 1 0 307.350 1.187 20 5 DDBDRO CCC[NH+]1CCC(NC(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000317151819 528202643 /nfs/dbraw/zinc/20/26/43/528202643.db2.gz ROCSEENFXFYWGW-UHFFFAOYSA-N 1 0 306.366 1.781 20 5 DDBDRO CCOc1cc(N2CCN(CCC[NH3+])CC2)ccc1[N+](=O)[O-] ZINC000414741183 528310990 /nfs/dbraw/zinc/31/09/90/528310990.db2.gz DWMIPPKONLKXNU-UHFFFAOYSA-N 1 0 308.382 1.464 20 5 DDBDRO CC[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000444174250 528513306 /nfs/dbraw/zinc/51/33/06/528513306.db2.gz GIOUWSKVOHPOEV-UHFFFAOYSA-N 1 0 315.395 1.603 20 5 DDBDRO CC(C)[C@@H]([NH3+])CN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000423276499 528533941 /nfs/dbraw/zinc/53/39/41/528533941.db2.gz OMFKJXDMEVWDEG-LSDHHAIUSA-N 1 0 317.393 1.991 20 5 DDBDRO CC(C)[C@@H]1CN(C(=O)CNc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000490293376 528721937 /nfs/dbraw/zinc/72/19/37/528721937.db2.gz NPDLXRYBCATRJW-HNNXBMFYSA-N 1 0 320.393 1.805 20 5 DDBDRO CC[NH+]1CCC(N(C)C(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000317323264 528971920 /nfs/dbraw/zinc/97/19/20/528971920.db2.gz VBSMEBWKQLEYCX-UHFFFAOYSA-N 1 0 306.366 1.733 20 5 DDBDRO C[NH+](C)C[C@](C)(O)CNc1ccc2ncccc2c1[N+](=O)[O-] ZINC000133038921 535973239 /nfs/dbraw/zinc/97/32/39/535973239.db2.gz ZLFRMBGERXAIHX-OAHLLOKOSA-N 1 0 304.350 1.868 20 5 DDBDRO C[NH2+][C@@H]1CCCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000193335967 538550181 /nfs/dbraw/zinc/55/01/81/538550181.db2.gz PTVRIBPRFGHYRC-GFCCVEGCSA-N 1 0 313.379 1.108 20 5 DDBDRO CNC(=O)[C@@]1(C)CC[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000797415227 700008251 /nfs/dbraw/zinc/00/82/51/700008251.db2.gz SSYYQQVFUSXVGU-HNNXBMFYSA-N 1 0 317.349 1.360 20 5 DDBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1cccc(C(N)=O)c1 ZINC000746663627 700035546 /nfs/dbraw/zinc/03/55/46/700035546.db2.gz TVDPYSNPGOEGON-UHFFFAOYSA-N 1 0 303.322 1.022 20 5 DDBDRO CCC[NH+]1CCC(NC(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000061509802 696320400 /nfs/dbraw/zinc/32/04/00/696320400.db2.gz ISUMEUKGUKFQJA-UHFFFAOYSA-N 1 0 306.366 1.781 20 5 DDBDRO CC[N@H+](CCC(=O)OC)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000151983835 696893297 /nfs/dbraw/zinc/89/32/97/696893297.db2.gz OCHWVYLDKPGKCE-UHFFFAOYSA-N 1 0 306.322 1.787 20 5 DDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[N@H+](CCC2CCCC2)CC1 ZINC000981138004 697015708 /nfs/dbraw/zinc/01/57/08/697015708.db2.gz KNROTTZZSCRCFH-HUUCEWRRSA-N 1 0 309.410 1.766 20 5 DDBDRO CC(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@@]2(C)C1 ZINC000982278623 697082014 /nfs/dbraw/zinc/08/20/14/697082014.db2.gz LXVFFTZWPWGUEJ-XOUADPBQSA-N 1 0 309.410 1.478 20 5 DDBDRO Cc1cccnc1C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000983649845 697286498 /nfs/dbraw/zinc/28/64/98/697286498.db2.gz SRUAKYHHLJQYLC-RGCMKSIDSA-N 1 0 318.377 1.040 20 5 DDBDRO COC[C@@H](O)C[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000162182001 697326674 /nfs/dbraw/zinc/32/66/74/697326674.db2.gz FCIRURJAWDONRH-JTQLQIEISA-N 1 0 319.155 1.454 20 5 DDBDRO CCNS(=O)(=O)CC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000772979438 697700279 /nfs/dbraw/zinc/70/02/79/697700279.db2.gz RHKCXUWXPJUFKZ-NSHDSACASA-N 1 0 315.395 1.493 20 5 DDBDRO COC(=O)c1cnc(N2CCC[C@H](C[NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000790102071 699443086 /nfs/dbraw/zinc/44/30/86/699443086.db2.gz VXKVWFVZXQTDDE-LLVKDONJSA-N 1 0 322.365 1.554 20 5 DDBDRO Cn1cc(C[NH2+][C@@H]2CCN(C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000729682168 699484758 /nfs/dbraw/zinc/48/47/58/699484758.db2.gz OERIIDZTGDBVQR-CQSZACIVSA-N 1 0 315.377 1.789 20 5 DDBDRO COc1cc(C(=O)N[C@@H](C[NH+](C)C)C(C)C)ccc1[N+](=O)[O-] ZINC000733164903 699581737 /nfs/dbraw/zinc/58/17/37/699581737.db2.gz FDUWCBWPXNDJJY-LBPRGKRZSA-N 1 0 309.366 1.919 20 5 DDBDRO C[C@H]1CCC[N@@H+]1CCNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000742239767 699868938 /nfs/dbraw/zinc/86/89/38/699868938.db2.gz HDANIGSDQGSUQR-LBPRGKRZSA-N 1 0 307.350 1.574 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CCCCO)CC2)c2nonc21 ZINC000742411815 699877823 /nfs/dbraw/zinc/87/78/23/699877823.db2.gz WVUGMALKISVDSG-UHFFFAOYSA-N 1 0 321.337 1.026 20 5 DDBDRO C[NH+](C)C[C@@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000801876536 700349610 /nfs/dbraw/zinc/34/96/10/700349610.db2.gz PSFAEWKQWOTJBY-JTQLQIEISA-N 1 0 324.356 1.872 20 5 DDBDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)C[C@H]1C ZINC000801934920 700357180 /nfs/dbraw/zinc/35/71/80/700357180.db2.gz SSQPQBGYBXLIFK-ZJUUUORDSA-N 1 0 324.356 1.871 20 5 DDBDRO C[NH+]1CCC(NC(=S)NCCc2cccc([N+](=O)[O-])c2)CC1 ZINC000758268076 700695647 /nfs/dbraw/zinc/69/56/47/700695647.db2.gz LWMLMMKMWJWHNT-UHFFFAOYSA-N 1 0 322.434 1.696 20 5 DDBDRO CN(C(=O)Cc1cccc(F)c1[N+](=O)[O-])[C@H]1CCC[N@H+](C)C1 ZINC000866068641 706609792 /nfs/dbraw/zinc/60/97/92/706609792.db2.gz USDYQXYNGYMQJF-LBPRGKRZSA-N 1 0 309.341 1.829 20 5 DDBDRO C[NH+](C)[C@H]1CCOc2c(NC(=O)[C@@H]3CC3[N+](=O)[O-])cccc21 ZINC000839748201 701808715 /nfs/dbraw/zinc/80/87/15/701808715.db2.gz IMFZCFOWWIHWSR-KGYLQXTDSA-N 1 0 305.334 1.676 20 5 DDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000866204650 706648049 /nfs/dbraw/zinc/64/80/49/706648049.db2.gz FMUURESLXBONGC-BXUZGUMPSA-N 1 0 318.377 1.485 20 5 DDBDRO C[N@@H+]1CC[C@H]2CN(c3nc4ccccn4c3[N+](=O)[O-])CC[C@H]21 ZINC000866206014 706648488 /nfs/dbraw/zinc/64/84/88/706648488.db2.gz ICIDIQGBTCXJBY-NWDGAFQWSA-N 1 0 301.350 1.773 20 5 DDBDRO Cc1cc(N2CC[C@@H](O)[C@@H](O)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000866223874 706653475 /nfs/dbraw/zinc/65/34/75/706653475.db2.gz MAMCHQYRUVFZHM-CABCVRRESA-N 1 0 303.318 1.383 20 5 DDBDRO COC[C@@H](CCO)[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866270908 706662256 /nfs/dbraw/zinc/66/22/56/706662256.db2.gz XQPXEKTVFZQWTH-ZWNOBZJWSA-N 1 0 300.330 1.652 20 5 DDBDRO C[C@@H](NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl)[C@H](C)[NH3+] ZINC000841857892 702590843 /nfs/dbraw/zinc/59/08/43/702590843.db2.gz KMOVBVBIPYXRMO-JGVFFNPUSA-N 1 0 300.746 1.783 20 5 DDBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1CC[C@H](C(N)=O)C1 ZINC000866370000 706683206 /nfs/dbraw/zinc/68/32/06/706683206.db2.gz QWUVVIBUSBPCLE-XHVZSJERSA-N 1 0 309.341 1.909 20 5 DDBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1CCC(=O)N(C)C1=O ZINC000866378822 706685229 /nfs/dbraw/zinc/68/52/29/706685229.db2.gz CRFSDYHVEIOSKA-JOYOIKCWSA-N 1 0 323.324 1.402 20 5 DDBDRO CC[NH2+]CCNC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000841935752 702626082 /nfs/dbraw/zinc/62/60/82/702626082.db2.gz YLYVNNRCPLSXKC-UHFFFAOYSA-N 1 0 321.381 1.036 20 5 DDBDRO C[C@@H]1CN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@@H](C)C[NH2+]1 ZINC000842473778 702725026 /nfs/dbraw/zinc/72/50/26/702725026.db2.gz FOTNVKLJNKZPOC-MNOVXSKESA-N 1 0 324.356 1.745 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@@H](C)CC[NH3+])c1 ZINC000842790781 702774203 /nfs/dbraw/zinc/77/42/03/702774203.db2.gz NBSONHLCALXUSS-QMMMGPOBSA-N 1 0 321.786 1.572 20 5 DDBDRO CC[C@@H]([NH3+])CNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000842882299 702786567 /nfs/dbraw/zinc/78/65/67/702786567.db2.gz GDYQKJRHGNJGSZ-MRVPVSSYSA-N 1 0 307.759 1.264 20 5 DDBDRO O=[N+]([O-])c1ccc(Cc2noc(CC[C@@H]3CC[NH2+]C3)n2)nc1 ZINC000843191553 702837967 /nfs/dbraw/zinc/83/79/67/702837967.db2.gz JAWABHCREPYEKL-SNVBAGLBSA-N 1 0 303.322 1.506 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(Cc2noc([C@@]3(C)CC[NH2+]C3)n2)c1 ZINC000843222218 702844860 /nfs/dbraw/zinc/84/48/60/702844860.db2.gz DXMPGHDJTIXPBM-HNNXBMFYSA-N 1 0 318.333 1.828 20 5 DDBDRO C[C@@H](C[NH3+])N(C)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000843350406 702864441 /nfs/dbraw/zinc/86/44/41/702864441.db2.gz QGQYAICACSSKGB-QMMMGPOBSA-N 1 0 300.746 1.466 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N[C@H]2CC[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC000843471469 702888481 /nfs/dbraw/zinc/88/84/81/702888481.db2.gz VHUMNIQVEMIPPI-KCJUWKMLSA-N 1 0 322.321 1.539 20 5 DDBDRO Cc1nc([N+](=O)[O-])c(-c2noc([C@@H]3CC[C@H](C4CC4)[NH2+]3)n2)n1C ZINC000844915020 703084387 /nfs/dbraw/zinc/08/43/87/703084387.db2.gz BEAKUTVJHJQWBP-ZJUUUORDSA-N 1 0 318.337 1.890 20 5 DDBDRO Cc1cc(-c2noc([C@]34C[NH2+]C[C@H]3COC4)n2)cc([N+](=O)[O-])c1 ZINC000844920746 703085386 /nfs/dbraw/zinc/08/53/86/703085386.db2.gz WAKXMRAKQOUYRT-NHYWBVRUSA-N 1 0 316.317 1.441 20 5 DDBDRO Cn1ncc(CCC[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])n1 ZINC000848551288 703562599 /nfs/dbraw/zinc/56/25/99/703562599.db2.gz ISMOLKCUXPVHDS-CQSZACIVSA-N 1 0 301.350 1.933 20 5 DDBDRO [NH2+]=C(NCCNc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCCO1 ZINC000848982798 703606477 /nfs/dbraw/zinc/60/64/77/703606477.db2.gz SCWTXYWOFNSLCL-CYBMUJFWSA-N 1 0 307.354 1.300 20 5 DDBDRO O=[N+]([O-])c1ccccc1C[NH2+]CC[S@@](=O)CC(F)(F)F ZINC000850349273 703725992 /nfs/dbraw/zinc/72/59/92/703725992.db2.gz BNHNNFOIHIFKOB-HXUWFJFHSA-N 1 0 310.297 1.995 20 5 DDBDRO CC1(C)OC[C@H](C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)O1 ZINC000851992368 703899049 /nfs/dbraw/zinc/89/90/49/703899049.db2.gz FITSCPHHUDFVBR-LBPRGKRZSA-N 1 0 310.354 1.580 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000818564328 703926703 /nfs/dbraw/zinc/92/67/03/703926703.db2.gz WCUDVDFNLBJZRV-NSHDSACASA-N 1 0 323.324 1.466 20 5 DDBDRO COC[C@@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CCOCC1 ZINC000852321460 704012542 /nfs/dbraw/zinc/01/25/42/704012542.db2.gz OIVKOBWKZXLACW-HZPDHXFCSA-N 1 0 324.377 1.659 20 5 DDBDRO CN(C)c1ncccc1C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818958862 704035392 /nfs/dbraw/zinc/03/53/92/704035392.db2.gz YKIRRDUXHZVUGB-HNNXBMFYSA-N 1 0 316.361 1.879 20 5 DDBDRO Cc1c(C[N@@H+]2CC[C@H](N3CCOC3=O)C2)cccc1[N+](=O)[O-] ZINC000852431658 704044782 /nfs/dbraw/zinc/04/47/82/704044782.db2.gz JHGUHQFHJGPZCJ-ZDUSSCGKSA-N 1 0 305.334 1.930 20 5 DDBDRO CC(C)N1C[C@@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000818996651 704047521 /nfs/dbraw/zinc/04/75/21/704047521.db2.gz VAOOKCPVDMJBRM-GXTWGEPZSA-N 1 0 307.350 1.227 20 5 DDBDRO O=C1CC[C@@H]2C[N@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)CC[C@@H]2N1 ZINC000852495439 704062440 /nfs/dbraw/zinc/06/24/40/704062440.db2.gz KXFFXVZGFSMXHA-SNPRPXQTSA-N 1 0 319.361 1.229 20 5 DDBDRO C[C@@H]1C[C@@H]1N1C[C@@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1=O ZINC000819120953 704072061 /nfs/dbraw/zinc/07/20/61/704072061.db2.gz DKGYFUDZFQQUAN-WCUVEOEZSA-N 1 0 319.361 1.227 20 5 DDBDRO C[C@@H]1C[C@@H]1N1C[C@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1=O ZINC000819120947 704072172 /nfs/dbraw/zinc/07/21/72/704072172.db2.gz DKGYFUDZFQQUAN-DWZYQQQCSA-N 1 0 319.361 1.227 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[NH2+]C[C@H](O)c2ccc(F)c(F)c2)c1 ZINC000819178166 704082087 /nfs/dbraw/zinc/08/20/87/704082087.db2.gz ZOMWMWJNTBPPGP-ZDUSSCGKSA-N 1 0 312.276 1.393 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C[C@H]2CCC=CO2)c1 ZINC000819246956 704094493 /nfs/dbraw/zinc/09/44/93/704094493.db2.gz UEMLDKRIPHYHKD-DZGCQCFKSA-N 1 0 308.334 1.617 20 5 DDBDRO CO[C@@H]1COCC[C@@H]1C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819343726 704110580 /nfs/dbraw/zinc/11/05/80/704110580.db2.gz ATTXPRDJYJFKOI-VHDGCEQUSA-N 1 0 310.350 1.269 20 5 DDBDRO CCCN1C[C@H](C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1=O ZINC000819375362 704115741 /nfs/dbraw/zinc/11/57/41/704115741.db2.gz PMVWIIWKTNSQAP-WFASDCNBSA-N 1 0 321.377 1.476 20 5 DDBDRO [NH3+]C1(CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CCCC1 ZINC000852852653 704148537 /nfs/dbraw/zinc/14/85/37/704148537.db2.gz DMGLRUOLUGOOON-UHFFFAOYSA-N 1 0 308.294 1.504 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000821030225 704361744 /nfs/dbraw/zinc/36/17/44/704361744.db2.gz CPCSHHBHTPMPND-OAHLLOKOSA-N 1 0 321.381 1.044 20 5 DDBDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000855163133 704471604 /nfs/dbraw/zinc/47/16/04/704471604.db2.gz SYCVAGYSIKKEFR-ZIAGYGMSSA-N 1 0 321.377 1.617 20 5 DDBDRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000855163132 704471613 /nfs/dbraw/zinc/47/16/13/704471613.db2.gz SYCVAGYSIKKEFR-UONOGXRCSA-N 1 0 321.377 1.617 20 5 DDBDRO C[NH2+]CCCN(C)C(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857766979 704622780 /nfs/dbraw/zinc/62/27/80/704622780.db2.gz VGCIDDVVLDJRNY-UHFFFAOYSA-N 1 0 317.292 1.634 20 5 DDBDRO C[NH+](C)[C@@H]1CCc2ccccc2N(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000857925201 704643591 /nfs/dbraw/zinc/64/35/91/704643591.db2.gz INEZAMMXRZOKKB-UMVBOHGHSA-N 1 0 303.362 1.561 20 5 DDBDRO C[C@H]1CC[C@H](NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C[NH2+]1 ZINC000858631452 704737581 /nfs/dbraw/zinc/73/75/81/704737581.db2.gz DJMSRZVCLGMAQN-IUCAKERBSA-N 1 0 317.342 1.153 20 5 DDBDRO C[C@H]1C[NH+](CCCNC(=O)CCC(C)(C)[N+](=O)[O-])C[C@H](C)O1 ZINC000822314409 704914830 /nfs/dbraw/zinc/91/48/30/704914830.db2.gz UWHPIUFNYFSIGS-STQMWFEESA-N 1 0 315.414 1.437 20 5 DDBDRO COc1cc(Cc2noc(CC[C@@H](C)[NH3+])n2)ccc1[N+](=O)[O-] ZINC000822862950 705063655 /nfs/dbraw/zinc/06/36/55/705063655.db2.gz MWFYMPQWUHBXTL-SECBINFHSA-N 1 0 306.322 1.857 20 5 DDBDRO COCC[N@@H+]1CC[C@@H](NC(=O)c2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000874444554 705068629 /nfs/dbraw/zinc/06/86/29/705068629.db2.gz WTMKBNORHOWNLG-CYBMUJFWSA-N 1 0 321.377 1.662 20 5 DDBDRO Nc1ccc(NC(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000824003001 705352666 /nfs/dbraw/zinc/35/26/66/705352666.db2.gz LCFJYEHIXOROSD-RYUDHWBXSA-N 1 0 319.365 1.925 20 5 DDBDRO CO[C@H]1C[N@H+](C)[C@@](C)(COC(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000861345109 705436836 /nfs/dbraw/zinc/43/68/36/705436836.db2.gz YWBYYBNHHFWONT-QMTHXVAHSA-N 1 0 311.338 1.199 20 5 DDBDRO C[C@H](CNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)[N@H+](C)C1CC1 ZINC000825664409 705710546 /nfs/dbraw/zinc/71/05/46/705710546.db2.gz FAAVRXXHNGPZMH-YGRLFVJLSA-N 1 0 307.350 1.227 20 5 DDBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825987876 705754961 /nfs/dbraw/zinc/75/49/61/705754961.db2.gz PCOLIWSMFVSJDM-UKRRQHHQSA-N 1 0 321.377 1.619 20 5 DDBDRO C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000876564690 705760512 /nfs/dbraw/zinc/76/05/12/705760512.db2.gz UIYUFTNSJRKBNP-QADGWQRPSA-N 1 0 318.377 1.535 20 5 DDBDRO COc1ccc(CNC(=O)[C@H](F)[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000876612350 705783863 /nfs/dbraw/zinc/78/38/63/705783863.db2.gz JVLDHCWFWZOMPI-GXFFZTMASA-N 1 0 311.313 1.167 20 5 DDBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000826646702 705833590 /nfs/dbraw/zinc/83/35/90/705833590.db2.gz DRMGDQRVUIVVHS-SWLSCSKDSA-N 1 0 321.377 1.428 20 5 DDBDRO Cc1nn(CN2CCC(C)([NH+]3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000863314798 705898762 /nfs/dbraw/zinc/89/87/62/705898762.db2.gz YYBSIJBJHWHLDO-UHFFFAOYSA-N 1 0 323.397 1.244 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)c1 ZINC000827330868 705977351 /nfs/dbraw/zinc/97/73/51/705977351.db2.gz SKINIXDAJLKNPX-SMDDNHRTSA-N 1 0 319.361 1.770 20 5 DDBDRO COc1cc(C(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)cc([N+](=O)[O-])c1C ZINC000877277772 706045761 /nfs/dbraw/zinc/04/57/61/706045761.db2.gz OSAGTEQFZHLKJZ-QWHCGFSZSA-N 1 0 319.361 1.878 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCC(C)([NH+](C)C)CC1 ZINC000827778843 706066356 /nfs/dbraw/zinc/06/63/56/706066356.db2.gz DZCMPMSDDRYKKN-UHFFFAOYSA-N 1 0 309.370 1.042 20 5 DDBDRO [NH3+]C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])s2)C[C@H]1C(F)(F)F ZINC000877366532 706082363 /nfs/dbraw/zinc/08/23/63/706082363.db2.gz KVPZFHGVMRFWNN-RNFRBKRXSA-N 1 0 323.296 1.866 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000877401199 706096688 /nfs/dbraw/zinc/09/66/88/706096688.db2.gz ZBKABUDRIPWNFY-ZFWWWQNUSA-N 1 0 305.334 1.374 20 5 DDBDRO COc1cc(C(=O)N[C@@]23CCC[C@H]2[NH2+]CC3)ccc1[N+](=O)[O-] ZINC000877400712 706096920 /nfs/dbraw/zinc/09/69/20/706096920.db2.gz YGBQOIQCNMPIKY-UKRRQHHQSA-N 1 0 305.334 1.618 20 5 DDBDRO CN1CCN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C(C)(C)C1 ZINC000828145558 706127294 /nfs/dbraw/zinc/12/72/94/706127294.db2.gz MHRFTKIOLOPHNN-CYBMUJFWSA-N 1 0 307.350 1.181 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1CN1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000877618447 706160682 /nfs/dbraw/zinc/16/06/82/706160682.db2.gz UXKIYMDEQYBLBT-UONOGXRCSA-N 1 0 305.378 1.462 20 5 DDBDRO C[C@H]1CN(C(=O)CCC(C)(C)[N+](=O)[O-])CC[N@@H+]1CC(C)(C)O ZINC000829736425 706386069 /nfs/dbraw/zinc/38/60/69/706386069.db2.gz IKKYZFNWBMQDEL-LBPRGKRZSA-N 1 0 315.414 1.126 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)C[C@@](C)(O)c1ccccc1 ZINC000878728337 706482883 /nfs/dbraw/zinc/48/28/83/706482883.db2.gz LTSVJDSDYLHBRT-MRXNPFEDSA-N 1 0 318.377 1.939 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CN1C[C@@H]2CCC[N@@H+]2C[C@@H]1CO ZINC000880069017 706869348 /nfs/dbraw/zinc/86/93/48/706869348.db2.gz RJSQSBVHGKKOFC-LSDHHAIUSA-N 1 0 321.377 1.244 20 5 DDBDRO COCC1([N@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCC1 ZINC000880187366 706905351 /nfs/dbraw/zinc/90/53/51/706905351.db2.gz JUIIYNANDAUWEL-AWEZNQCLSA-N 1 0 324.377 1.835 20 5 DDBDRO [NH3+]C1CCC(NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000832520777 706930232 /nfs/dbraw/zinc/93/02/32/706930232.db2.gz VYQYMLZSRHJIDB-UHFFFAOYSA-N 1 0 317.349 1.331 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC[C@@H]1CNC(=O)C1 ZINC000926981740 712926572 /nfs/dbraw/zinc/92/65/72/712926572.db2.gz VKNSBDMXGQFSHG-MNOVXSKESA-N 1 0 307.350 1.780 20 5 DDBDRO C[C@@H]([NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000926945164 712921690 /nfs/dbraw/zinc/92/16/90/712921690.db2.gz UYNPOJBDDKJHMG-NYMYIZQJSA-N 1 0 307.350 1.632 20 5 DDBDRO C[C@@H]([NH2+]C[C@H]1CCCCN1CCO)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834850957 707138912 /nfs/dbraw/zinc/13/89/12/707138912.db2.gz RFZKTDLRDVPFTF-TZMCWYRMSA-N 1 0 322.409 1.674 20 5 DDBDRO C[C@H]([NH2+]C[C@H]1CCCCN1CCO)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834850952 707138972 /nfs/dbraw/zinc/13/89/72/707138972.db2.gz RFZKTDLRDVPFTF-GXTWGEPZSA-N 1 0 322.409 1.674 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000871673827 707164248 /nfs/dbraw/zinc/16/42/48/707164248.db2.gz OTGOLFWAGGOEOH-VXNVDRBHSA-N 1 0 320.271 1.143 20 5 DDBDRO C[C@@H]([NH2+]CCC1CS(=O)(=O)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872064705 707287118 /nfs/dbraw/zinc/28/71/18/707287118.db2.gz KFLCZQJRDIZYKY-SECBINFHSA-N 1 0 316.354 1.819 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2O ZINC000872263110 707354464 /nfs/dbraw/zinc/35/44/64/707354464.db2.gz WKQBXWBSGWPGDT-YUTCNCBUSA-N 1 0 308.382 1.581 20 5 DDBDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000837187659 707593548 /nfs/dbraw/zinc/59/35/48/707593548.db2.gz AWXNEKKIGZBJAS-LSDHHAIUSA-N 1 0 321.377 1.569 20 5 DDBDRO Cn1cc(C[NH2+]C[C@H]2C[C@H](O)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000873177512 707758769 /nfs/dbraw/zinc/75/87/69/707758769.db2.gz QJANVMKLKDWNCN-FUKZOUPISA-N 1 0 316.361 1.856 20 5 DDBDRO Nc1ccc(N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)c([N+](=O)[O-])c1 ZINC000897219935 708258018 /nfs/dbraw/zinc/25/80/18/708258018.db2.gz QIXSAFORLSYVGA-OLZOCXBDSA-N 1 0 306.366 1.212 20 5 DDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000897221371 708259251 /nfs/dbraw/zinc/25/92/51/708259251.db2.gz MBDSGDKSQTZXHM-QWHCGFSZSA-N 1 0 323.397 1.155 20 5 DDBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000886084240 708695420 /nfs/dbraw/zinc/69/54/20/708695420.db2.gz SZYGCJDRSKFNKL-GFCCVEGCSA-N 1 0 302.338 1.494 20 5 DDBDRO COC(=O)N1CCC[C@@H]([C@H](C)[NH2+]Cc2cccnc2[N+](=O)[O-])C1 ZINC000886142924 708704384 /nfs/dbraw/zinc/70/43/84/708704384.db2.gz OINSHCLYRQRISB-WCQYABFASA-N 1 0 322.365 1.946 20 5 DDBDRO C[N@@H+](CCc1ccc2c(c1)OCO2)CCn1ccc([N+](=O)[O-])n1 ZINC000887095275 708953969 /nfs/dbraw/zinc/95/39/69/708953969.db2.gz FTQPACRHJPKESK-UHFFFAOYSA-N 1 0 318.333 1.695 20 5 DDBDRO C[N@@H+]1C[C@@H]2CN(C(=O)c3c(N)cccc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000887929287 709168181 /nfs/dbraw/zinc/16/81/81/709168181.db2.gz QOGTZILIVRBPMD-BMIGLBTASA-N 1 0 304.350 1.201 20 5 DDBDRO C[C@@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000912806425 713097723 /nfs/dbraw/zinc/09/77/23/713097723.db2.gz FKHCKMXESGYAPO-CMPLNLGQSA-N 1 0 309.370 1.510 20 5 DDBDRO C[C@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)c1c([N+](=O)[O-])cnn1C ZINC000912808936 713098308 /nfs/dbraw/zinc/09/83/08/713098308.db2.gz BXOVKSVFTOCWPS-NEPJUHHUSA-N 1 0 323.397 1.521 20 5 DDBDRO CC1(C)CC[N@H+](CCNC(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000890078336 709737197 /nfs/dbraw/zinc/73/71/97/709737197.db2.gz AWLCOWBOFBJOEW-UHFFFAOYSA-N 1 0 320.393 1.855 20 5 DDBDRO CCN(C(=O)NCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[NH2+]C1 ZINC000891537653 710230599 /nfs/dbraw/zinc/23/05/99/710230599.db2.gz MSLJXFQJEAQQAJ-CYBMUJFWSA-N 1 0 322.365 1.367 20 5 DDBDRO C[C@@H]1[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1C ZINC000928440063 713197044 /nfs/dbraw/zinc/19/70/44/713197044.db2.gz AMGROLIEJPFZIE-RNCFNFMXSA-N 1 0 311.769 2.000 20 5 DDBDRO C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C[C@@H](C)[NH2+]1 ZINC000911799182 710998407 /nfs/dbraw/zinc/99/84/07/710998407.db2.gz FXWIXTQUJHXBHL-YIKOMLBNSA-N 1 0 303.362 1.907 20 5 DDBDRO COc1cc([C@H](C)[NH2+]C[C@H](CO)[C@H]2CCOC2)cc([N+](=O)[O-])c1 ZINC000903168221 711053460 /nfs/dbraw/zinc/05/34/60/711053460.db2.gz UWNIJWNYIBYSSL-SGMGOOAPSA-N 1 0 324.377 1.899 20 5 DDBDRO COc1ccc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)nc1 ZINC000894454399 711128054 /nfs/dbraw/zinc/12/80/54/711128054.db2.gz RUVXSFRHOMEVSU-UHFFFAOYSA-N 1 0 302.334 1.964 20 5 DDBDRO CC[N@H+]1[C@H](C)CN(C(=O)c2c(N)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000912025196 711129736 /nfs/dbraw/zinc/12/97/36/711129736.db2.gz ZKJWEAWMDPAOHM-PHIMTYICSA-N 1 0 306.366 1.732 20 5 DDBDRO O=[N+]([O-])c1sc(C[NH2+]C[C@@H]2COCO2)cc1Br ZINC000894886559 711308885 /nfs/dbraw/zinc/30/88/85/711308885.db2.gz WOSXCKVWWPIJNN-ZCFIWIBFSA-N 1 0 323.168 1.881 20 5 DDBDRO O=[N+]([O-])c1cccc2c1CCN(C[C@H]1CCC3(C[NH2+]C3)O1)C2 ZINC000903882801 711315966 /nfs/dbraw/zinc/31/59/66/711315966.db2.gz PVKQNWOUUQFGHT-CYBMUJFWSA-N 1 0 303.362 1.474 20 5 DDBDRO C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000913533341 713247624 /nfs/dbraw/zinc/24/76/24/713247624.db2.gz NPYDWDUXCWLTOI-TXEJJXNPSA-N 1 0 307.325 1.581 20 5 DDBDRO CC[C@@H](C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C(=O)OC ZINC000895121542 711423911 /nfs/dbraw/zinc/42/39/11/711423911.db2.gz ZCIHYHAHJCPBIS-JTQLQIEISA-N 1 0 324.333 1.655 20 5 DDBDRO CCO[C@H](CNc1ncnc2cccc([N+](=O)[O-])c21)C[NH+](C)C ZINC000896116845 711678528 /nfs/dbraw/zinc/67/85/28/711678528.db2.gz SUEIUZCSHZPOBY-LLVKDONJSA-N 1 0 319.365 1.917 20 5 DDBDRO CCO[C@@H](CNc1ccc2ncc([N+](=O)[O-])n2n1)C[NH+](C)C ZINC000896118279 711678777 /nfs/dbraw/zinc/67/87/77/711678777.db2.gz YUUSKCSJHPYUOM-JTQLQIEISA-N 1 0 308.342 1.016 20 5 DDBDRO O=C1C[C@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CN1CC1CC1 ZINC000905448188 712039801 /nfs/dbraw/zinc/03/98/01/712039801.db2.gz AKRYLCRVSQPVDO-DZGCQCFKSA-N 1 0 319.361 1.229 20 5 DDBDRO CN(CC[NH+](C)C)C(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC000906882149 712427059 /nfs/dbraw/zinc/42/70/59/712427059.db2.gz JAVUTHQXBMBPRZ-UHFFFAOYSA-N 1 0 323.349 1.390 20 5 DDBDRO C[C@@H]1[C@H](NC(=O)NCCNc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000913933883 713321844 /nfs/dbraw/zinc/32/18/44/713321844.db2.gz USZZDXSDUPAFSR-VXGBXAGGSA-N 1 0 321.381 1.399 20 5 DDBDRO C[C@H]([NH2+]C(C)(C)CO)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000916572822 713458553 /nfs/dbraw/zinc/45/85/53/713458553.db2.gz PHRNHZFNRISLBW-QMMMGPOBSA-N 1 0 315.757 1.936 20 5 DDBDRO O=[N+]([O-])c1cccc(C[N@@H+](C[C@@H](O)C2(O)CCC2)C2CC2)c1 ZINC000929853342 713707427 /nfs/dbraw/zinc/70/74/27/713707427.db2.gz LYDONWWDJYYHMX-OAHLLOKOSA-N 1 0 306.362 1.835 20 5 DDBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H]1C[C@H]2COC[C@@H]2O1 ZINC000930441066 713835921 /nfs/dbraw/zinc/83/59/21/713835921.db2.gz QXWKVHMGTLHOKI-DZKIICNBSA-N 1 0 306.362 1.873 20 5 DDBDRO C[C@@H]1[C@H](NC(=O)NCCc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000921681045 713841264 /nfs/dbraw/zinc/84/12/64/713841264.db2.gz PPKIZLWIFJQNTH-BXUZGUMPSA-N 1 0 306.366 1.529 20 5 DDBDRO C[C@H]1CC[N@H+](CC[N+](=O)[O-])C[C@@H]1CNC(=O)OC(C)(C)C ZINC000930684316 713895902 /nfs/dbraw/zinc/89/59/02/713895902.db2.gz OVJANDGHURFVPJ-RYUDHWBXSA-N 1 0 301.387 1.746 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(CC(=O)Nc3ccccc3[N+](=O)[O-])C[C@@H]2C1 ZINC000931434145 714096214 /nfs/dbraw/zinc/09/62/14/714096214.db2.gz NITZHVJCXGGUJL-OLZOCXBDSA-N 1 0 318.377 1.417 20 5 DDBDRO C[C@@](CO)([NH2+]C[C@H]1CCC2(COC2)O1)c1cccc([N+](=O)[O-])c1 ZINC000931468801 714104571 /nfs/dbraw/zinc/10/45/71/714104571.db2.gz FTCQXCMDLNPRGN-CABCVRRESA-N 1 0 322.361 1.340 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CC[C@@H](C3OCCO3)C2)cc1 ZINC000932003465 714230686 /nfs/dbraw/zinc/23/06/86/714230686.db2.gz PWASTLKWPCSLRX-OCCSQVGLSA-N 1 0 308.334 1.323 20 5 DDBDRO C[C@]1([C@@H]2CCC[N@H+](Cc3cccnc3[N+](=O)[O-])C2)COC(=O)N1 ZINC000932016807 714236005 /nfs/dbraw/zinc/23/60/05/714236005.db2.gz PLDAUXNTJOCUFG-IUODEOHRSA-N 1 0 320.349 1.700 20 5 DDBDRO C[C@@H]([NH2+]C[C@@H](O)COC1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000932178959 714279783 /nfs/dbraw/zinc/27/97/83/714279783.db2.gz COHKRLRGUDJPNG-IUODEOHRSA-N 1 0 324.377 1.802 20 5 DDBDRO COc1c(C(=O)N2[C@@H]3CC[C@H]2C[N@H+](C)CC3)cccc1[N+](=O)[O-] ZINC000923267392 714290195 /nfs/dbraw/zinc/29/01/95/714290195.db2.gz DVHVWZOLQDVEBN-NEPJUHHUSA-N 1 0 319.361 1.912 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)CN(C2CC2)C2CC[NH2+]CC2)c1 ZINC000923281175 714295615 /nfs/dbraw/zinc/29/56/15/714295615.db2.gz KUPBEMCOMHKZBS-INIZCTEOSA-N 1 0 305.378 1.845 20 5 DDBDRO CC(C)[C@H]1CN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000923345736 714321810 /nfs/dbraw/zinc/32/18/10/714321810.db2.gz MIZOITYPFNBFMI-GOEBONIOSA-N 1 0 323.393 1.264 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000932719509 714397578 /nfs/dbraw/zinc/39/75/78/714397578.db2.gz QDXLFSDLOJVRIA-UHFFFAOYSA-N 1 0 323.397 1.290 20 5 DDBDRO O=C1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)CCCCCN1 ZINC000934162294 714758368 /nfs/dbraw/zinc/75/83/68/714758368.db2.gz INORZFKVTLOGBZ-UHFFFAOYSA-N 1 0 321.377 1.966 20 5 DDBDRO O=[N+]([O-])c1ccc(OCCN[C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)cc1 ZINC000925598205 714896104 /nfs/dbraw/zinc/89/61/04/714896104.db2.gz QQFBYGDXQUAOIU-URLAMEQQSA-N 1 0 303.362 1.560 20 5 DDBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)n1 ZINC001164664952 719386520 /nfs/dbraw/zinc/38/65/20/719386520.db2.gz DCKYTSDPZIORCL-GHMZBOCLSA-N 1 0 312.757 1.471 20 5 DDBDRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2cc([N+](=O)[O-])ccn2)C1 ZINC001164729179 720506373 /nfs/dbraw/zinc/50/63/73/720506373.db2.gz IAEZPDFRSTVDOG-GFCCVEGCSA-N 1 0 316.365 1.384 20 5 DDBDRO COc1ncnc(N2CC3(C2)CC[N@H+](CC2CC2)C3)c1[N+](=O)[O-] ZINC001164774286 721288451 /nfs/dbraw/zinc/28/84/51/721288451.db2.gz YTFQGBHSECVVHY-UHFFFAOYSA-N 1 0 319.365 1.316 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CCC[C@H]([NH+](C)C)C2)n1 ZINC000281105184 721899312 /nfs/dbraw/zinc/89/93/12/721899312.db2.gz FSDCEYIMFAJIER-JTQLQIEISA-N 1 0 308.338 1.307 20 5 DDBDRO CN(CCNC(=O)C[N@H+](C)C1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC001100386793 732306064 /nfs/dbraw/zinc/30/60/64/732306064.db2.gz VWFPLRPTCGFDMG-UHFFFAOYSA-N 1 0 320.393 1.632 20 5 DDBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1)c1cnco1 ZINC001020447038 732385994 /nfs/dbraw/zinc/38/59/94/732385994.db2.gz DLJDAJFNMSNRIH-MGCOHNPYSA-N 1 0 322.346 1.695 20 5 DDBDRO [NH3+][C@H]1CN(c2nc3ccccc3c(Cl)c2[N+](=O)[O-])C[C@H]1O ZINC001167088999 732551527 /nfs/dbraw/zinc/55/15/27/732551527.db2.gz MBUZRPXIWIFGOH-WCBMZHEXSA-N 1 0 308.725 1.305 20 5 DDBDRO COC(=O)c1c(C)c([N+](=O)[O-])ccc1-n1ccc(CC[NH3+])n1 ZINC001167732177 737227581 /nfs/dbraw/zinc/22/75/81/737227581.db2.gz QHMTVRRWSFCEBK-UHFFFAOYSA-N 1 0 304.306 1.377 20 5 DDBDRO O=[N+]([O-])c1cc2c(cc1NC1CC3(C1)CS(=O)(=O)C3)C[NH2+]C2 ZINC001168208522 741825280 /nfs/dbraw/zinc/82/52/80/741825280.db2.gz ZVPAJEZKMKVGBD-UHFFFAOYSA-N 1 0 323.374 1.187 20 5 DDBDRO Cc1cnccc1C(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001126782724 742131008 /nfs/dbraw/zinc/13/10/08/742131008.db2.gz WSOOFNKAJBESPE-UHFFFAOYSA-N 1 0 314.345 1.818 20 5 DDBDRO COc1ncnc(N2CCC([NH3+])(CC3CCC3)CC2)c1[N+](=O)[O-] ZINC001161571847 742404110 /nfs/dbraw/zinc/40/41/10/742404110.db2.gz XEFIQYQGDSWFFH-UHFFFAOYSA-N 1 0 321.381 1.881 20 5 DDBDRO CC(C)c1cccc(C[NH2+]CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 ZINC001126932224 742776501 /nfs/dbraw/zinc/77/65/01/742776501.db2.gz NBZICUGFIAZPSR-TZMCWYRMSA-N 1 0 306.366 1.076 20 5 DDBDRO CCOC1CC(O)(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C1 ZINC001181256430 743144431 /nfs/dbraw/zinc/14/44/31/743144431.db2.gz OJMVFCRZLAPERY-UHFFFAOYSA-N 1 0 310.354 1.014 20 5 DDBDRO CC(C)[C@H]1C[C@H]([NH+]2CCCC2)CN1c1ncc([N+](=O)[O-])c(N)n1 ZINC001187870376 744629633 /nfs/dbraw/zinc/62/96/33/744629633.db2.gz AOHDTDGMGCSVGW-NWDGAFQWSA-N 1 0 320.397 1.666 20 5 DDBDRO CN(CCOCC[NH3+])C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000698874851 744764772 /nfs/dbraw/zinc/76/47/72/744764772.db2.gz DCSBVCITOWAEDE-UHFFFAOYSA-N 1 0 301.730 1.296 20 5 DDBDRO CC(C)COCCC(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001123981402 747334733 /nfs/dbraw/zinc/33/47/33/747334733.db2.gz SWZIODOZDKBGPS-UHFFFAOYSA-N 1 0 323.393 1.863 20 5 DDBDRO CC[N@H+](C)[C@H]1CCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC001198883807 747645394 /nfs/dbraw/zinc/64/53/94/747645394.db2.gz VJIJPXFAFVAJBI-HNNXBMFYSA-N 1 0 320.393 1.584 20 5 DDBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H]2COC3(CCOCC3)O2)c1 ZINC001201676332 748566027 /nfs/dbraw/zinc/56/60/27/748566027.db2.gz OLEPLZOYFUICNB-CQSZACIVSA-N 1 0 308.334 1.607 20 5 DDBDRO C[NH+](C)CCC(=O)NC/C=C/CNc1ccccc1[N+](=O)[O-] ZINC001107489288 750045695 /nfs/dbraw/zinc/04/56/95/750045695.db2.gz ASPUEONHPAYHJX-AATRIKPKSA-N 1 0 306.366 1.631 20 5 DDBDRO CCOC(=O)c1ccnc(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001168969487 762158594 /nfs/dbraw/zinc/15/85/94/762158594.db2.gz FBAIKTQMOAFMMM-WCQYABFASA-N 1 0 307.350 1.793 20 5 DDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2cccc(OC3COC3)c2)C1 ZINC001168974470 762163839 /nfs/dbraw/zinc/16/38/39/762163839.db2.gz QNRIMUYIGHOOJZ-UONOGXRCSA-N 1 0 306.362 1.999 20 5 DDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2cnn(CC(F)(F)F)c2)C1 ZINC001168993631 762166619 /nfs/dbraw/zinc/16/66/19/762166619.db2.gz NUYLFCUSWVPIFU-ONGXEEELSA-N 1 0 306.288 1.980 20 5 DDBDRO COc1cccc(CNC(=O)C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001168998329 762170942 /nfs/dbraw/zinc/17/09/42/762170942.db2.gz LHXIYOZZQMDNHZ-UONOGXRCSA-N 1 0 321.377 1.346 20 5 DDBDRO COc1cccc(C[C@H](CO)[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001168986799 762179381 /nfs/dbraw/zinc/17/93/81/762179381.db2.gz ZQNZYHAXIAHTBS-RBSFLKMASA-N 1 0 308.378 1.634 20 5 DDBDRO COC(=O)CC1([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CCOCC1 ZINC001168987758 762180329 /nfs/dbraw/zinc/18/03/29/762180329.db2.gz KARIXIUSIYKKPY-VXGBXAGGSA-N 1 0 300.355 1.134 20 5 DDBDRO CCN1C(=O)CCC12CC[NH+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169018973 762199192 /nfs/dbraw/zinc/19/91/92/762199192.db2.gz FVMGVSFYEZHVLY-UONOGXRCSA-N 1 0 309.410 1.909 20 5 DDBDRO COc1nc(SC)nc(-n2ccc([C@H](C)[NH3+])n2)c1[N+](=O)[O-] ZINC001169227752 762290072 /nfs/dbraw/zinc/29/00/72/762290072.db2.gz FDRYBLJWOAICJG-LURJTMIESA-N 1 0 310.339 1.321 20 5 DDBDRO C[C@@H](C[NH+](C)C)Nc1cc([N+](=O)[O-])cc(Br)[n+]1[O-] ZINC001163776511 755180408 /nfs/dbraw/zinc/18/04/08/755180408.db2.gz CBLKLSVZXOUWHS-ZETCQYMHSA-N 1 0 319.159 1.353 20 5 DDBDRO C[NH+](C)CCC(=O)N[C@@H]1[C@H]2CN(c3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC001097584758 757260003 /nfs/dbraw/zinc/26/00/03/757260003.db2.gz NYIIUUSPRSUACL-FOLVSLTJSA-N 1 0 318.377 1.097 20 5 DDBDRO [NH3+]CCc1cn(-c2ncnc3[nH]cc([N+](=O)[O-])c32)c2cccnc12 ZINC001169704634 762612869 /nfs/dbraw/zinc/61/28/69/762612869.db2.gz CGCOUGXPRUABFH-UHFFFAOYSA-N 1 0 323.316 1.706 20 5 DDBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)c1ccc[nH]1 ZINC001019983390 760382897 /nfs/dbraw/zinc/38/28/97/760382897.db2.gz XXBWBJDSNJQDRE-JOCQHMNTSA-N 1 0 314.345 1.974 20 5 DDBDRO Cc1cc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)sn1 ZINC001086084067 760944867 /nfs/dbraw/zinc/94/48/67/760944867.db2.gz AVCAZONRFHSKGR-LYIQGSDWSA-N 1 0 324.406 1.101 20 5 DDBDRO O=C(NC[C@H]1C[C@H]([NH2+]CC2CC3(CCC3)C2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001086363318 761493052 /nfs/dbraw/zinc/49/30/52/761493052.db2.gz NXMURTOLNLLCFA-NMFUWQPSSA-N 1 0 321.421 1.716 20 5 DDBDRO C[C@@H]([NH3+])c1ccn(-c2nc(Cl)nc(Cl)c2[N+](=O)[O-])n1 ZINC001158348488 768113864 /nfs/dbraw/zinc/11/38/64/768113864.db2.gz HTUJGYSWPPUXDZ-SCSAIBSYSA-N 1 0 303.109 1.897 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])cc1N[C@@H](C)[C@@H]1C[NH2+]CCO1 ZINC001170565695 768164873 /nfs/dbraw/zinc/16/48/73/768164873.db2.gz CXHRTORLTTZMKO-ZANVPECISA-N 1 0 309.322 1.170 20 5 DDBDRO CCOc1nc(N(CC[NH3+])c2cccnc2)ccc1[N+](=O)[O-] ZINC001158001020 767632178 /nfs/dbraw/zinc/63/21/78/767632178.db2.gz MKALCIDGIVPNGO-UHFFFAOYSA-N 1 0 303.322 1.880 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N(C(C)C)[C@@H]1CC[NH2+]C1 ZINC001158023704 767656667 /nfs/dbraw/zinc/65/66/67/767656667.db2.gz ZXCNGKFZUKTYDC-SNVBAGLBSA-N 1 0 308.338 1.353 20 5 DDBDRO CCc1ncoc1C(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001133583744 770013901 /nfs/dbraw/zinc/01/39/01/770013901.db2.gz FAHWMPSGJNKKQY-UHFFFAOYSA-N 1 0 318.333 1.665 20 5 DDBDRO CCn1ccc(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)n1 ZINC001134768463 771165952 /nfs/dbraw/zinc/16/59/52/771165952.db2.gz DCWIGNKNCQUICX-UHFFFAOYSA-N 1 0 317.349 1.331 20 5 DDBDRO O=[N+]([O-])c1ccc(N[C@H]2C[NH2+]C[C@@H]2CO)c(C(F)(F)F)c1 ZINC001170783629 771274809 /nfs/dbraw/zinc/27/48/09/771274809.db2.gz YNGZDILLRRZAKF-HQJQHLMTSA-N 1 0 305.256 1.606 20 5 DDBDRO CCc1cc(C(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)no1 ZINC001148337354 773440491 /nfs/dbraw/zinc/44/04/91/773440491.db2.gz RBOSEBHRNPDETN-UHFFFAOYSA-N 1 0 324.362 1.726 20 5 DDBDRO O=C(NCCCNc1ccccc1[N+](=O)[O-])C12CC[NH+](CC1)C2 ZINC001094506232 775952879 /nfs/dbraw/zinc/95/28/79/775952879.db2.gz ZQZDCZDABQODOP-UHFFFAOYSA-N 1 0 318.377 1.609 20 5 DDBDRO CN1C[C@H](C[NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1=O ZINC001172901178 776916277 /nfs/dbraw/zinc/91/62/77/776916277.db2.gz KJHLTDOHLGJESX-SWLSCSKDSA-N 1 0 317.389 1.910 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@H]1[C@H](O)CCC[C@@H]1O)CC2 ZINC001172907098 776918314 /nfs/dbraw/zinc/91/83/14/776918314.db2.gz CXDRSBBIAQEZFI-SIXLDLHFSA-N 1 0 320.389 1.706 20 5 DDBDRO CS(=O)(=O)CC[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172895714 776928230 /nfs/dbraw/zinc/92/82/30/776928230.db2.gz HWEOGBLZMTUYAE-CYBMUJFWSA-N 1 0 312.391 1.476 20 5 DDBDRO COC(=O)[C@@H](CCCC[NH3+])N[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173218966 777050764 /nfs/dbraw/zinc/05/07/64/777050764.db2.gz UWMGNGCIVXCVAW-IUODEOHRSA-N 1 0 323.393 1.786 20 5 DDBDRO CC(=O)N1CC[C@H](C[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173220479 777052529 /nfs/dbraw/zinc/05/25/29/777052529.db2.gz CJDDYWVILHTTQJ-SWLSCSKDSA-N 1 0 305.378 1.984 20 5 DDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCO[C@H](C[NH+](C)C)C1 ZINC001173221211 777053486 /nfs/dbraw/zinc/05/34/86/777053486.db2.gz GIQLIJCMEUEEAR-XJKSGUPXSA-N 1 0 307.394 1.788 20 5 DDBDRO C[NH+](C)CCC(=O)NCCN(c1ccc([N+](=O)[O-])cn1)C1CC1 ZINC001101437185 777139793 /nfs/dbraw/zinc/13/97/93/777139793.db2.gz HPXHUUSIYTVPPW-UHFFFAOYSA-N 1 0 321.381 1.027 20 5 DDBDRO C[NH+](C)CCC(=O)N1CCC(Nc2ccccc2[N+](=O)[O-])CC1 ZINC001095247616 777314642 /nfs/dbraw/zinc/31/46/42/777314642.db2.gz QWHZYRGNDJLTLI-UHFFFAOYSA-N 1 0 320.393 1.949 20 5 DDBDRO Cc1cccc(C(=O)NC[C@@H]2C[NH+]3CCC2CC3)c1[N+](=O)[O-] ZINC001179893169 779519615 /nfs/dbraw/zinc/51/96/15/779519615.db2.gz CYVOULGVZKLYSP-CYBMUJFWSA-N 1 0 303.362 1.975 20 5 DDBDRO CCn1cc([C@@H](O)CN(CC[N+](=O)[O-])Cc2ccccc2)cn1 ZINC001119767203 781600297 /nfs/dbraw/zinc/60/02/97/781600297.db2.gz QCIJWLLNMSEZPD-INIZCTEOSA-N 1 0 318.377 1.715 20 5 DDBDRO COc1cc([N+](=O)[O-])cnc1N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC001120040271 781734591 /nfs/dbraw/zinc/73/45/91/781734591.db2.gz CBVCMYYIFCQQCF-OAHLLOKOSA-N 1 0 306.366 1.921 20 5 DDBDRO CCC[NH2+]CCNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC001326324116 861279519 /nfs/dbraw/zinc/27/95/19/861279519.db2.gz XBZYVSXUFVUYAQ-UHFFFAOYSA-N 1 0 305.338 1.060 20 5 DDBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001326482966 861401161 /nfs/dbraw/zinc/40/11/61/861401161.db2.gz RPNNPAOIBDOEBH-BYCMXARLSA-N 1 0 321.377 1.427 20 5 DDBDRO CN(CC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cnon1 ZINC001272138810 844648413 /nfs/dbraw/zinc/64/84/13/844648413.db2.gz ZJPPQTNBUWAXCY-UHFFFAOYSA-N 1 0 319.321 1.182 20 5 DDBDRO Nc1cc([N+](=O)[O-])ccc1C(=O)NCC12CCC[NH+](CCC1)C2 ZINC001301840115 845994740 /nfs/dbraw/zinc/99/47/40/845994740.db2.gz XCMAQJJVGYQFMI-UHFFFAOYSA-N 1 0 318.377 1.783 20 5 DDBDRO O=[N+]([O-])c1cnc(NCc2nnn3c2C[NH2+]CCC3)c(Cl)c1 ZINC001155390046 862030106 /nfs/dbraw/zinc/03/01/06/862030106.db2.gz MUDSGMOGMUDBHL-UHFFFAOYSA-N 1 0 323.744 1.340 20 5 DDBDRO CC(C)Oc1nc(NC[C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)ccc1[N+](=O)[O-] ZINC001155484041 862145450 /nfs/dbraw/zinc/14/54/50/862145450.db2.gz AWGXORFJOYEIBQ-NQBHXWOUSA-N 1 0 322.365 1.423 20 5 DDBDRO O=C1C[C@@H]2[NH2+]CC[C@]2(Nc2nccc3cc([N+](=O)[O-])ccc32)N1 ZINC001155580677 862251606 /nfs/dbraw/zinc/25/16/06/862251606.db2.gz NUWQSFRZKKBBGO-SWLSCSKDSA-N 1 0 313.317 1.133 20 5 DDBDRO COc1cnc(NC[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)c([N+](=O)[O-])c1 ZINC001155596387 862274568 /nfs/dbraw/zinc/27/45/68/862274568.db2.gz IOJNWGMLYPMEES-ABAIWWIYSA-N 1 0 322.365 1.569 20 5 DDBDRO Cc1nc(NC[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)ncc1[N+](=O)[O-] ZINC001155601331 862278916 /nfs/dbraw/zinc/27/89/16/862278916.db2.gz JCBKMBWWVMUARV-BXUZGUMPSA-N 1 0 307.354 1.264 20 5 DDBDRO O=C(NCCC[NH2+]Cc1ccccc1[N+](=O)[O-])C1=COCCC1 ZINC001155601419 862278974 /nfs/dbraw/zinc/27/89/74/862278974.db2.gz AGOOJFAKNCWNFE-UHFFFAOYSA-N 1 0 319.361 1.885 20 5 DDBDRO COc1nc(N[C@H]2CCCC[C@@]23C[NH2+]CCO3)ncc1[N+](=O)[O-] ZINC001155824361 862478128 /nfs/dbraw/zinc/47/81/28/862478128.db2.gz PAGDAFZDZYWRQN-SMDDNHRTSA-N 1 0 323.353 1.107 20 5 DDBDRO Cc1cc(C[NH3+])nn1-c1cc(/C=C/N(C)C)c([N+](=O)[O-])cn1 ZINC001156042411 862668342 /nfs/dbraw/zinc/66/83/42/862668342.db2.gz JRYMEBKFGGWTPH-SNAWJCMRSA-N 1 0 302.338 1.475 20 5 DDBDRO COC[C@H]1C[NH2+]CCN1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC001122332207 858758488 /nfs/dbraw/zinc/75/84/88/858758488.db2.gz PMERHFNPJQNERC-BTKRWWFXSA-N 1 0 305.334 1.055 20 5 DDBDRO Cc1cccc(C(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)n1 ZINC001123726018 859381016 /nfs/dbraw/zinc/38/10/16/859381016.db2.gz OLGMLMVLYRZVFS-UHFFFAOYSA-N 1 0 320.374 1.879 20 5 DDBDRO O=C(NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)C1=COCCC1 ZINC001124656053 859770807 /nfs/dbraw/zinc/77/08/07/859770807.db2.gz LQDDRGZZRBHZBO-UHFFFAOYSA-N 1 0 305.334 1.495 20 5 DDBDRO C[N@H+]1CC=C(CNC(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)CC1 ZINC001137818863 859981444 /nfs/dbraw/zinc/98/14/44/859981444.db2.gz ABUDNXZKBIUBOK-UHFFFAOYSA-N 1 0 324.768 1.822 20 5 DDBDRO Cc1n[nH]c(C(=O)NCc2ccc3c[nH+]cn3c2)c1[N+](=O)[O-] ZINC001141947804 860977269 /nfs/dbraw/zinc/97/72/69/860977269.db2.gz IYRWCKCGJSAMDA-UHFFFAOYSA-N 1 0 300.278 1.204 20 5 DDBDRO CC(=O)N1CCC([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001326145972 861133784 /nfs/dbraw/zinc/13/37/84/861133784.db2.gz GSZUGYVVEMAGLM-OAHLLOKOSA-N 1 0 307.350 1.229 20 5 DDBDRO CS(=O)(=O)N(c1cccc(C[NH3+])c1)c1cc([N+](=O)[O-])ccn1 ZINC001156483692 863092244 /nfs/dbraw/zinc/09/22/44/863092244.db2.gz XPMMWZNJYITHGT-UHFFFAOYSA-N 1 0 322.346 1.546 20 5 DDBDRO C[C@@H](COCc1ccccc1)COC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001225005172 881632843 /nfs/dbraw/zinc/63/28/43/881632843.db2.gz ZYSSJLPLZIGECC-DOTOQJQBSA-N 1 0 324.441 1.840 20 5 DDBDRO CC(C)(C)C(=O)OCCCCOC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001225146016 881700985 /nfs/dbraw/zinc/70/09/85/881700985.db2.gz JMZMMZMDVFLLPO-CYBMUJFWSA-N 1 0 318.434 1.356 20 5 DDBDRO [NH3+]C[C@]1(F)CCN(c2ccc(-c3ccccc3[N+](=O)[O-])nn2)C1 ZINC001157817532 864167643 /nfs/dbraw/zinc/16/76/43/864167643.db2.gz XAFGKJMOWMKGQI-OAHLLOKOSA-N 1 0 317.324 1.929 20 5 DDBDRO C[NH2+]CCN(c1nccc(C(=O)OC)c1[N+](=O)[O-])C(C)(C)C ZINC001157830424 864175621 /nfs/dbraw/zinc/17/56/21/864175621.db2.gz VPFYQHAWFRJPNG-UHFFFAOYSA-N 1 0 310.354 1.601 20 5 DDBDRO COC(=O)Cc1ccc(NCC[NH+]2CC=CC2)c([N+](=O)[O-])c1 ZINC001330590350 864474437 /nfs/dbraw/zinc/47/44/37/864474437.db2.gz NRCRBWYBCRXZNI-UHFFFAOYSA-N 1 0 305.334 1.594 20 5 DDBDRO O=C(CCC12CC(C1)C[NH2+]2)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001330648300 864510444 /nfs/dbraw/zinc/51/04/44/864510444.db2.gz MSSYXDSKGKXAMP-UHFFFAOYSA-N 1 0 301.346 1.969 20 5 DDBDRO [NH3+][C@H]1CN(c2nccc3ccc([N+](=O)[O-])cc32)CC12COC2 ZINC001158765809 864890305 /nfs/dbraw/zinc/89/03/05/864890305.db2.gz LEDGGRIDHAIBIW-ZDUSSCGKSA-N 1 0 300.318 1.307 20 5 DDBDRO C[NH2+]C[C@@H](C)CNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC001331674851 865234482 /nfs/dbraw/zinc/23/44/82/865234482.db2.gz UGTGRQRIOHALEV-GFCCVEGCSA-N 1 0 305.378 1.988 20 5 DDBDRO C[C@H](Nc1cnc2cc([N+](=O)[O-])ccc2n1)[C@H]1C[NH2+]CCO1 ZINC001159495087 865344357 /nfs/dbraw/zinc/34/43/57/865344357.db2.gz CLQCOKRGAPASJU-TVQRCGJNSA-N 1 0 303.322 1.327 20 5 DDBDRO Cc1cc(N[C@@H]2C[NH2+]C[C@@H]2CO)nc2ccc([N+](=O)[O-])cc12 ZINC001159671299 865460128 /nfs/dbraw/zinc/46/01/28/865460128.db2.gz JFNQCZMYIUJROT-QMTHXVAHSA-N 1 0 302.334 1.444 20 5 DDBDRO O=C(CCn1cc([N+](=O)[O-])cn1)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC001332123890 865596689 /nfs/dbraw/zinc/59/66/89/865596689.db2.gz ZLRNINQNTWLHKQ-HNNXBMFYSA-N 1 0 321.381 1.174 20 5 DDBDRO COc1cc(N[C@@H]2CC[NH2+]C[C@@H]2C(F)(F)F)ncc1[N+](=O)[O-] ZINC001160735174 866085624 /nfs/dbraw/zinc/08/56/24/866085624.db2.gz CYGAKYYXOQRKDY-JGVFFNPUSA-N 1 0 320.271 1.951 20 5 DDBDRO Nc1cc([N+](=O)[O-])cnc1N1CCC([NH3+])(c2cccnc2)CC1 ZINC001161581725 866783515 /nfs/dbraw/zinc/78/35/15/866783515.db2.gz BJDKKBNLOOTYKO-UHFFFAOYSA-N 1 0 314.349 1.421 20 5 DDBDRO C[NH+](C)CCOCCNC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001320768403 867016659 /nfs/dbraw/zinc/01/66/59/867016659.db2.gz TZRJRBPOOGIZSS-UHFFFAOYSA-N 1 0 322.365 1.198 20 5 DDBDRO Nc1ccc(NC(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC001333885846 867116398 /nfs/dbraw/zinc/11/63/98/867116398.db2.gz QWQFOYYBYDPHQN-GFCCVEGCSA-N 1 0 319.365 1.879 20 5 DDBDRO COCCC1([NH3+])CCN(c2ccc3[nH]cc([N+](=O)[O-])c3n2)CC1 ZINC001162041577 867212232 /nfs/dbraw/zinc/21/22/32/867212232.db2.gz MKFFDCZGHSHVKX-UHFFFAOYSA-N 1 0 319.365 1.805 20 5 DDBDRO C[C@@H](CN1CC[NH2+]CC1)Nc1ccc2nc[nH]c2c1[N+](=O)[O-] ZINC001162098444 867251531 /nfs/dbraw/zinc/25/15/31/867251531.db2.gz SMHYKEAMZFFUGA-JTQLQIEISA-N 1 0 304.354 1.177 20 5 DDBDRO [NH3+]C[C@H](CO)c1ccc(Nc2cc([N+](=O)[O-])cc[n+]2[O-])cc1 ZINC001163050095 868036547 /nfs/dbraw/zinc/03/65/47/868036547.db2.gz KFKKIPVFGYYZEM-LLVKDONJSA-N 1 0 304.306 1.006 20 5 DDBDRO CNc1cc([N+](=O)[O-])cnc1NCC[C@@H]1CCOC12C[NH2+]C2 ZINC001163088422 868076513 /nfs/dbraw/zinc/07/65/13/868076513.db2.gz YZDCIKMWCRPQHN-SNVBAGLBSA-N 1 0 307.354 1.212 20 5 DDBDRO COc1ncc([N+](=O)[O-])cc1NCc1noc2c1C[NH2+]CC2 ZINC001163131951 868141550 /nfs/dbraw/zinc/14/15/50/868141550.db2.gz PUDCQJOMUSREDH-UHFFFAOYSA-N 1 0 305.294 1.244 20 5 DDBDRO CCOC(=O)c1ccc(N[C@@H]2C[NH2+][C@@H]3COC[C@H]23)c([N+](=O)[O-])c1 ZINC001163146537 868157623 /nfs/dbraw/zinc/15/76/23/868157623.db2.gz REPXLPLXTFKUAD-RAIGVLPGSA-N 1 0 321.333 1.170 20 5 DDBDRO COC(=O)c1c(C)c([N+](=O)[O-])ccc1N[C@@H]1C[NH2+][C@@H]2COC[C@H]12 ZINC001163147070 868157646 /nfs/dbraw/zinc/15/76/46/868157646.db2.gz FRGCCVPPUQUMPB-YUSALJHKSA-N 1 0 321.333 1.089 20 5 DDBDRO O=[N+]([O-])c1cccc2cnc(NC[C@]34C[NH2+]C[C@H]3COC4)nc21 ZINC001163154646 868167455 /nfs/dbraw/zinc/16/74/55/868167455.db2.gz YCSARBQRUCBGGI-NHYWBVRUSA-N 1 0 315.333 1.186 20 5 DDBDRO CC(C)[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccn1 ZINC001335337309 868234791 /nfs/dbraw/zinc/23/47/91/868234791.db2.gz MORAJLJQFHHBPO-HIFRSBDPSA-N 1 0 319.365 1.534 20 5 DDBDRO O=C1C[C@@H]2[NH2+]CC[C@@]2(Nc2cc3cccnc3c([N+](=O)[O-])c2)N1 ZINC001163252775 868262033 /nfs/dbraw/zinc/26/20/33/868262033.db2.gz IQKSIYPMIMWCPN-SWLSCSKDSA-N 1 0 313.317 1.133 20 5 DDBDRO COC1CCN(CC[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001335396204 868271033 /nfs/dbraw/zinc/27/10/33/868271033.db2.gz DLZWPIANDZHLIW-INIZCTEOSA-N 1 0 323.393 1.329 20 5 DDBDRO CN1Cc2cc(N[C@H]3CC[C@@H]4C[NH2+]C[C@@H]43)cc([N+](=O)[O-])c2N1 ZINC001163268699 868286919 /nfs/dbraw/zinc/28/69/19/868286919.db2.gz NCGBNBUUEHWXHV-ICCXJUOJSA-N 1 0 303.366 1.777 20 5 DDBDRO COc1ncc([N+](=O)[O-])cc1NC[C@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001163278096 868300853 /nfs/dbraw/zinc/30/08/53/868300853.db2.gz GWCCPQZQYLNLOW-XHDPSFHLSA-N 1 0 322.365 1.569 20 5 DDBDRO COc1cc(N[C@H]2CCO[C@]3(CC[NH2+]C3)C2)cnc1[N+](=O)[O-] ZINC001163327006 868358360 /nfs/dbraw/zinc/35/83/60/868358360.db2.gz IKYQKGAFEYUSJW-IINYFYTJSA-N 1 0 308.338 1.321 20 5 DDBDRO CC(C)(C)c1cnc(N[C@H]2C[NH2+][C@@H]3CCO[C@@H]32)c([N+](=O)[O-])c1 ZINC001163336043 868363224 /nfs/dbraw/zinc/36/32/24/868363224.db2.gz GWGIRNQWPQZSET-MDZLAQPJSA-N 1 0 306.366 1.829 20 5 DDBDRO CC(C)[N@H+](CCO)CC1CCN(c2ccncc2[N+](=O)[O-])CC1 ZINC001336713440 869105563 /nfs/dbraw/zinc/10/55/63/869105563.db2.gz VUENUJHHHXVCGB-UHFFFAOYSA-N 1 0 322.409 1.909 20 5 DDBDRO CC(C)[N@@H+]1CC[C@H](C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001336762923 869128208 /nfs/dbraw/zinc/12/82/08/869128208.db2.gz JQZIEUZWERRKAH-CJNGLKHVSA-N 1 0 307.394 1.948 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CC2(C3(O)CCC3)CC2)cc1 ZINC001336831184 869170505 /nfs/dbraw/zinc/17/05/05/869170505.db2.gz KHLPLPIYUWIXLG-CQSZACIVSA-N 1 0 306.362 1.913 20 5 DDBDRO CC(C)([NH3+])C(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC001337067907 869303436 /nfs/dbraw/zinc/30/34/36/869303436.db2.gz AGOYPPQFUMEDAF-UHFFFAOYSA-N 1 0 316.155 1.711 20 5 DDBDRO Nc1nc(N2CC[NH2+][C@@H](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC001164613166 869329201 /nfs/dbraw/zinc/32/92/01/869329201.db2.gz TWHRUOYAEPONSE-ZDUSSCGKSA-N 1 0 313.361 1.593 20 5 DDBDRO CC[NH+]1CCC(N(C)c2ncc([N+](=O)[O-])cc2C(=O)OC)CC1 ZINC001165068988 869360074 /nfs/dbraw/zinc/36/00/74/869360074.db2.gz QOYGGNULRUFMKU-UHFFFAOYSA-N 1 0 322.365 1.697 20 5 DDBDRO CO[C@H]1CN(C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)C[C@H]1[NH3+] ZINC001165204401 869426032 /nfs/dbraw/zinc/42/60/32/869426032.db2.gz HYWUHMWZHWSSMK-BDAKNGLRSA-N 1 0 322.699 1.350 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])cc(NCC[C@H]2CCC[N@H+](C)C2)n1 ZINC001165261588 869475350 /nfs/dbraw/zinc/47/53/50/869475350.db2.gz RPYSAYARJZOWGI-LLVKDONJSA-N 1 0 322.365 1.920 20 5 DDBDRO O=[N+]([O-])c1cnc(N2CCC3(CC(F)C3)CC2)nc1C1C[NH2+]C1 ZINC001165310807 869512396 /nfs/dbraw/zinc/51/23/96/869512396.db2.gz XNRNFDFOMDRFLV-UHFFFAOYSA-N 1 0 321.356 1.790 20 5 DDBDRO C[N@@H+]1CCCC[C@H]1CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001337536868 869530116 /nfs/dbraw/zinc/53/01/16/869530116.db2.gz YJEZRZSZXVNQQA-JTQLQIEISA-N 1 0 321.333 1.538 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CCC(C3C[NH2+]C3)CC2)n1 ZINC001165411711 869578185 /nfs/dbraw/zinc/57/81/85/869578185.db2.gz FUEOXJYSGKBDEN-UHFFFAOYSA-N 1 0 320.349 1.212 20 5 DDBDRO COC[C@H]1C[NH2+]CCN1C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC001338596990 870062907 /nfs/dbraw/zinc/06/29/07/870062907.db2.gz SDUSCHKGGXHXIQ-CYBMUJFWSA-N 1 0 322.365 1.033 20 5 DDBDRO O=[N+]([O-])c1cnc(N2CCC([C@H]3CCC[NH2+]3)CC2)c([N+](=O)[O-])c1 ZINC001166902242 870353671 /nfs/dbraw/zinc/35/36/71/870353671.db2.gz CKWUJXXDXPVROP-GFCCVEGCSA-N 1 0 321.337 1.866 20 5 DDBDRO [NH3+]C[C@H]1CN(c2cc(Cl)nc3ccc([N+](=O)[O-])cc32)CCO1 ZINC001166939499 870399917 /nfs/dbraw/zinc/39/99/17/870399917.db2.gz IKIBYECCCJDMDO-JTQLQIEISA-N 1 0 322.752 1.960 20 5 DDBDRO [NH3+]C[C@H]1CN(c2ccc3c(ccc(Cl)c3[N+](=O)[O-])n2)CCO1 ZINC001166940698 870400768 /nfs/dbraw/zinc/40/07/68/870400768.db2.gz MWZQXBAVCXFFMF-VIFPVBQESA-N 1 0 322.752 1.960 20 5 DDBDRO [NH3+][C@@H]1CCN(c2ncc([N+](=O)[O-])cc2[N+](=O)[O-])CC1(F)F ZINC001166962818 870427813 /nfs/dbraw/zinc/42/78/13/870427813.db2.gz YMGFEVCTGPREJE-MRVPVSSYSA-N 1 0 303.225 1.071 20 5 DDBDRO C[C@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC001339681528 870629892 /nfs/dbraw/zinc/62/98/92/870629892.db2.gz WYHVUPUZWKFWFI-PWSUYJOCSA-N 1 0 309.370 1.510 20 5 DDBDRO CC1(C)CN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])C[C@H]1[NH3+] ZINC001341711349 871790094 /nfs/dbraw/zinc/79/00/94/871790094.db2.gz IXCYCBOVCUSHEQ-CYBMUJFWSA-N 1 0 309.341 1.862 20 5 DDBDRO O=C([C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC001341799822 871830912 /nfs/dbraw/zinc/83/09/12/871830912.db2.gz WNUHSYYUKZMFFM-RZFFKMDDSA-N 1 0 301.346 1.519 20 5 DDBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N[C@@H]1C[NH2+]CC12CC2 ZINC001342201034 872067003 /nfs/dbraw/zinc/06/70/03/872067003.db2.gz MRGLPFOKWAGFEU-CQSZACIVSA-N 1 0 318.377 1.655 20 5 DDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC001318620815 872173529 /nfs/dbraw/zinc/17/35/29/872173529.db2.gz ONLWQHOXZZFHQX-LLVKDONJSA-N 1 0 318.377 1.851 20 5 DDBDRO C[NH2+][C@@H](C)CCNC(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC001345143354 873269700 /nfs/dbraw/zinc/26/97/00/873269700.db2.gz VGLPVLUCWVRPJY-JTQLQIEISA-N 1 0 310.354 1.401 20 5 DDBDRO C[C@@H](CNC(=O)[C@@H]1C[C@H]([NH3+])[C@H]2C[C@H]21)c1ccccc1[N+](=O)[O-] ZINC001345323401 873354893 /nfs/dbraw/zinc/35/48/93/873354893.db2.gz BRUDFACAHBSWIA-BQQXIIOZSA-N 1 0 303.362 1.798 20 5 DDBDRO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)COc1ccccc1[N+](=O)[O-])C2 ZINC001345592611 873448843 /nfs/dbraw/zinc/44/88/43/873448843.db2.gz OVPVOBJZFRUJMR-TUAOUCFPSA-N 1 0 305.334 1.312 20 5 DDBDRO Cn1c(C(=O)N2CCCC[C@@]3(CC[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC001349917784 875453566 /nfs/dbraw/zinc/45/35/66/875453566.db2.gz YFIORRAZICEYMM-HNNXBMFYSA-N 1 0 306.366 1.539 20 5 DDBDRO [NH3+]C[C@@H](O)c1nc(-c2ccc3ccc4cccnc4c3n2)no1 ZINC001211418234 875796902 /nfs/dbraw/zinc/79/69/02/875796902.db2.gz VCMHDYPYJLMYSS-GFCCVEGCSA-N 1 0 307.313 1.825 20 5 DDBDRO Nc1c(C(=O)NC[C@@]23CC[N@H+](C2)CCC3)cc(F)cc1[N+](=O)[O-] ZINC001300104021 876905468 /nfs/dbraw/zinc/90/54/68/876905468.db2.gz NCKKPFUXUJZKSY-OAHLLOKOSA-N 1 0 322.340 1.532 20 5 DDBDRO O=C([C@H]1[C@@H]2CC[NH2+]C[C@@H]21)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001353325911 877256469 /nfs/dbraw/zinc/25/64/69/877256469.db2.gz QOFLAKAUHAKQQV-ILXRZTDVSA-N 1 0 301.346 1.335 20 5 DDBDRO CC(=O)Nc1ccc(C(C)=O)c(O[C@@H]2CCC[NH2+]C2)c1[N+](=O)[O-] ZINC001218288439 877445629 /nfs/dbraw/zinc/44/56/29/877445629.db2.gz WQSULBJHROPTJX-LLVKDONJSA-N 1 0 321.333 1.887 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)CN[C@H]2C[C@@H]([NH+]3CCCC3)C2)c1 ZINC001357244260 879874622 /nfs/dbraw/zinc/87/46/22/879874622.db2.gz YTDHORQIBQHZKZ-VNQPRFMTSA-N 1 0 305.378 1.845 20 5 DDBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001357953632 880263145 /nfs/dbraw/zinc/26/31/45/880263145.db2.gz NOSOAKISWRGCDG-CQSZACIVSA-N 1 0 321.377 1.100 20 5 DDBDRO [NH3+]C[C@@]12CC[C@H]1CCCN2C(=O)Cc1ccccc1[N+](=O)[O-] ZINC001358393806 880420183 /nfs/dbraw/zinc/42/01/83/880420183.db2.gz LEJZHFFQKDLYKY-CJNGLKHVSA-N 1 0 303.362 1.867 20 5 DDBDRO C[N@H+](CCCNC(=O)c1cn[nH]c1)Cc1ccccc1[N+](=O)[O-] ZINC001234368201 887908079 /nfs/dbraw/zinc/90/80/79/887908079.db2.gz AABPBLUZQJQVPH-UHFFFAOYSA-N 1 0 317.349 1.570 20 5 DDBDRO CCOc1noc2cc(OC(=O)C[C@@H](O)C[N+](C)(C)C)ccc21 ZINC001234905301 888242813 /nfs/dbraw/zinc/24/28/13/888242813.db2.gz OYTATBFVAUUNLM-LLVKDONJSA-N 1 0 323.369 1.589 20 5 DDBDRO C[N@@H+]1CC[C@@H](CNC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001291881664 913591798 /nfs/dbraw/zinc/59/17/98/913591798.db2.gz DKWQVWFUMBYDOV-NSHDSACASA-N 1 0 311.769 1.859 20 5 DDBDRO [NH3+]C1CCN(Cc2nc(-c3ncc(F)cc3[N+](=O)[O-])no2)CC1 ZINC001248203449 893567077 /nfs/dbraw/zinc/56/70/77/893567077.db2.gz PKAWLAJGDFBQMA-UHFFFAOYSA-N 1 0 322.300 1.102 20 5 DDBDRO COC(=O)[C@@H]1COCC[C@@H]1[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254548119 896496296 /nfs/dbraw/zinc/49/62/96/896496296.db2.gz GRGMCWFLJPTRBW-BNOWGMLFSA-N 1 0 322.361 1.694 20 5 DDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+](C)CCN1CCOCC1 ZINC001254550953 896499453 /nfs/dbraw/zinc/49/94/53/896499453.db2.gz TZJBBPFQGGQJEH-AWEZNQCLSA-N 1 0 307.394 1.790 20 5 DDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H]2CCNC(=O)[C@@H]2C1 ZINC001254567614 896505252 /nfs/dbraw/zinc/50/52/52/896505252.db2.gz XSCGOVWJYXFGQZ-FPMFFAJLSA-N 1 0 303.362 1.594 20 5 DDBDRO COC(=O)C12CC([NH2+][C@H]3Cc4ccc([N+](=O)[O-])cc4C3)(C1)C2 ZINC001254571763 896507307 /nfs/dbraw/zinc/50/73/07/896507307.db2.gz BOLBBSBWSUVNEU-JQRITLKVSA-N 1 0 302.330 1.747 20 5 DDBDRO [NH3+][C@H]1CC[C@@H](C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001262006915 899893865 /nfs/dbraw/zinc/89/38/65/899893865.db2.gz MKSHKKPILNETQN-XBXGTLAGSA-N 1 0 303.362 1.997 20 5 DDBDRO C[C@H](NC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC001262558796 900243468 /nfs/dbraw/zinc/24/34/68/900243468.db2.gz QCQFWDFOIWIKBQ-ZWKOPEQDSA-N 1 0 310.329 1.737 20 5 DDBDRO O=C(NCc1cccc([N+](=O)[O-])c1)NC[C@H]1CCCCC[NH2+]1 ZINC001262597675 900267990 /nfs/dbraw/zinc/26/79/90/900267990.db2.gz VPKPCKDASYTLBM-CYBMUJFWSA-N 1 0 306.366 1.926 20 5 DDBDRO Cc1c(CC(=O)N[C@]23CCC[C@H]2C[NH2+]C3)cccc1[N+](=O)[O-] ZINC001263267049 900553607 /nfs/dbraw/zinc/55/36/07/900553607.db2.gz LKXGOMMHJUBJCH-BBRMVZONSA-N 1 0 303.362 1.704 20 5 DDBDRO CCC[N@H+](C)CC(=O)NCCN(C)c1nccc(C)c1[N+](=O)[O-] ZINC001316594027 903190371 /nfs/dbraw/zinc/19/03/71/903190371.db2.gz JDQIQTHMKXJNIF-UHFFFAOYSA-N 1 0 323.397 1.192 20 5 DDBDRO COC[C@H](C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)OC ZINC000447598993 230479447 /nfs/dbraw/zinc/47/94/47/230479447.db2.gz JIFTYFZXKXPQNC-AVGNSLFASA-N 1 0 312.370 1.526 20 5 DDBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CC(=O)N(C)C1 ZINC000358083231 299070641 /nfs/dbraw/zinc/07/06/41/299070641.db2.gz KFWPYUCGLUJDII-CMPLNLGQSA-N 1 0 320.349 1.132 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@]1(O)CCO[C@@H]1C ZINC000278632767 214290737 /nfs/dbraw/zinc/29/07/37/214290737.db2.gz KVMFACUMQRARQZ-IAQYHMDHSA-N 1 0 310.350 1.623 20 5 DDBDRO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cnc2N)CC[N@@H+](C2CC2)C1 ZINC000452178289 231326767 /nfs/dbraw/zinc/32/67/67/231326767.db2.gz YVKKASSXXHIJEY-SNVBAGLBSA-N 1 0 319.365 1.128 20 5 DDBDRO O=[N+]([O-])c1cc(Br)cnc1N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000090322807 185291154 /nfs/dbraw/zinc/29/11/54/185291154.db2.gz ROMUOEWJBPVXIU-HTQZYQBOSA-N 1 0 313.155 1.408 20 5 DDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NCCC[N@H+](C)CCOC ZINC000443429008 529932860 /nfs/dbraw/zinc/93/28/60/529932860.db2.gz PNMASNCBMCCSAY-UHFFFAOYSA-N 1 0 324.381 1.335 20 5 DDBDRO C[NH2+]CCNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000414945669 529977958 /nfs/dbraw/zinc/97/79/58/529977958.db2.gz IPNWEUQUZAAKEE-UHFFFAOYSA-N 1 0 304.253 1.537 20 5 DDBDRO C[NH2+]C[C@@H](C)CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000422825656 529984961 /nfs/dbraw/zinc/98/49/61/529984961.db2.gz KCGSPROTTYIPRZ-SNVBAGLBSA-N 1 0 302.334 1.728 20 5 DDBDRO COc1ccc(C[N@H+](C)[C@@H]2CCN3CCO[C@H]2C3)cc1[N+](=O)[O-] ZINC000295159549 282363732 /nfs/dbraw/zinc/36/37/32/282363732.db2.gz SAVKNRQRDNWELI-CJNGLKHVSA-N 1 0 321.377 1.508 20 5 DDBDRO C[NH+](C)CCN(Cc1ccsc1)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000458223826 232291478 /nfs/dbraw/zinc/29/14/78/232291478.db2.gz NITHGBOQVFGRPS-UHFFFAOYSA-N 1 0 323.378 1.583 20 5 DDBDRO Cc1ccc([C@H](C)[NH2+]C[C@H](O)Cn2cccn2)cc1[N+](=O)[O-] ZINC000181836752 199360041 /nfs/dbraw/zinc/36/00/41/199360041.db2.gz UTQSPQVKAGDAEM-JSGCOSHPSA-N 1 0 304.350 1.811 20 5 DDBDRO COCC1(C(=O)Nc2cc([N+](=O)[O-])ccc2C)CC[NH2+]CC1 ZINC000318778896 290816612 /nfs/dbraw/zinc/81/66/12/290816612.db2.gz XMIFUQDADDMNTD-UHFFFAOYSA-N 1 0 307.350 1.858 20 5 DDBDRO CC[NH+](CC)[C@H](C)CNC(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000279737480 215104365 /nfs/dbraw/zinc/10/43/65/215104365.db2.gz SSIRJOADHQBCFL-LLVKDONJSA-N 1 0 311.386 1.336 20 5 DDBDRO Cn1cc(C[NH+]2CC(CCO)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000459594175 233353020 /nfs/dbraw/zinc/35/30/20/233353020.db2.gz POYYQKGGVBISNI-UHFFFAOYSA-N 1 0 316.361 1.810 20 5 DDBDRO CO[C@H](C[NH3+])CC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000262887625 186319447 /nfs/dbraw/zinc/31/94/47/186319447.db2.gz OECHDSKKBWNOLD-AWEZNQCLSA-N 1 0 309.366 1.696 20 5 DDBDRO CN1CCC[C@@H]1C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000564857523 304020387 /nfs/dbraw/zinc/02/03/87/304020387.db2.gz UZJZFFIHFUNTII-OLZOCXBDSA-N 1 0 309.366 1.018 20 5 DDBDRO C[C@H]1C[C@H]1C[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000488427807 233876394 /nfs/dbraw/zinc/87/63/94/233876394.db2.gz YLUYGWGHQMLLDM-QWRGUYRKSA-N 1 0 313.379 1.119 20 5 DDBDRO Nc1ccc(C(=O)NCCC[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000010057200 352137686 /nfs/dbraw/zinc/13/76/86/352137686.db2.gz UULZEBDIOVXMCR-UHFFFAOYSA-N 1 0 306.366 1.783 20 5 DDBDRO COCC[N@H+](CCOc1ccccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000490047925 233989078 /nfs/dbraw/zinc/98/90/78/233989078.db2.gz UIAHOWLYCFDBOA-CYBMUJFWSA-N 1 0 310.350 1.711 20 5 DDBDRO CC[NH+]1CCN(CCNc2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000042098489 352329420 /nfs/dbraw/zinc/32/94/20/352329420.db2.gz BXVQCKCCEMJXCF-UHFFFAOYSA-N 1 0 324.410 1.353 20 5 DDBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](CC3CCOCC3)C2)nc1 ZINC000072665118 191211250 /nfs/dbraw/zinc/21/12/50/191211250.db2.gz XQCIZLYOJJRBTJ-CYBMUJFWSA-N 1 0 306.366 1.903 20 5 DDBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](CC3CCOCC3)C2)nc1 ZINC000072665119 191211684 /nfs/dbraw/zinc/21/16/84/191211684.db2.gz XQCIZLYOJJRBTJ-ZDUSSCGKSA-N 1 0 306.366 1.903 20 5 DDBDRO CC(=O)NC1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000050989823 352575355 /nfs/dbraw/zinc/57/53/55/352575355.db2.gz JVFLUJVQBSTKCW-UHFFFAOYSA-N 1 0 307.350 1.574 20 5 DDBDRO CC1CC[NH+](CCCNC(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000063667196 352918866 /nfs/dbraw/zinc/91/88/66/352918866.db2.gz XZELGYWJRSLQJI-UHFFFAOYSA-N 1 0 323.397 1.420 20 5 DDBDRO Cc1ccc(S(=O)(=O)NCC[N@@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000067717805 353063981 /nfs/dbraw/zinc/06/39/81/353063981.db2.gz BIAUOSLAQWMAGB-UHFFFAOYSA-N 1 0 313.379 1.276 20 5 DDBDRO COCC[N@H+](C)CCNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000067273256 353041698 /nfs/dbraw/zinc/04/16/98/353041698.db2.gz LFQCMKMOISSGNY-VMPITWQZSA-N 1 0 307.350 1.302 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)NCC[NH+]2CCCCC2)c1 ZINC000067548658 353055506 /nfs/dbraw/zinc/05/55/06/353055506.db2.gz PJRAWWHFEWGEID-UHFFFAOYSA-N 1 0 307.350 1.819 20 5 DDBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000174175803 198301536 /nfs/dbraw/zinc/30/15/36/198301536.db2.gz NAJCJXRJNNSCRY-CQSZACIVSA-N 1 0 321.377 1.916 20 5 DDBDRO COc1c(C(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)cccc1[N+](=O)[O-] ZINC000332012026 234386892 /nfs/dbraw/zinc/38/68/92/234386892.db2.gz SGHRPCRYVRAJPQ-BXUZGUMPSA-N 1 0 319.361 1.770 20 5 DDBDRO CCC[N@H+](CC)CCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000174655335 198365375 /nfs/dbraw/zinc/36/53/75/198365375.db2.gz IWTCXSTXISEBPA-UHFFFAOYSA-N 1 0 324.337 1.965 20 5 DDBDRO Cc1c(NC(=O)NCC2(O)CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000077660895 353481406 /nfs/dbraw/zinc/48/14/06/353481406.db2.gz BGFJMFAOLUAHPQ-UHFFFAOYSA-N 1 0 322.365 1.481 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N1CC[NH+](CC2CC2)CC1 ZINC000079000385 353545606 /nfs/dbraw/zinc/54/56/06/353545606.db2.gz QQOVXRWGKWSIAL-UHFFFAOYSA-N 1 0 319.361 1.528 20 5 DDBDRO Cn1ccnc1C(=O)c1ccc(NCC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000090998111 353801674 /nfs/dbraw/zinc/80/16/74/353801674.db2.gz AIZGOMJMAGRVLH-UHFFFAOYSA-N 1 0 317.349 1.533 20 5 DDBDRO C[C@@H](CCNC(=O)CCn1cc([N+](=O)[O-])cn1)[NH+]1CCCCC1 ZINC000182243934 199409463 /nfs/dbraw/zinc/40/94/63/199409463.db2.gz RREORFMBOFNJEQ-ZDUSSCGKSA-N 1 0 323.397 1.562 20 5 DDBDRO C[C@@]1(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCCS1 ZINC000122226141 354024853 /nfs/dbraw/zinc/02/48/53/354024853.db2.gz IKAOQVIBBZFOIT-NEPJUHHUSA-N 1 0 300.384 1.028 20 5 DDBDRO C[C@H]([NH3+])[C@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CCO1 ZINC000127794575 354068433 /nfs/dbraw/zinc/06/84/33/354068433.db2.gz MMJNJZOOERAXBM-QPUJVOFHSA-N 1 0 313.741 1.436 20 5 DDBDRO COc1cc(OCC(=O)N[C@H]2CCC[C@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000161938183 354244507 /nfs/dbraw/zinc/24/45/07/354244507.db2.gz DLZYRWHKOYFDDO-QWRGUYRKSA-N 1 0 323.349 1.368 20 5 DDBDRO NC(=O)c1ccnc(N[C@H]2CC[N@@H+](C3CCCC3)C2)c1[N+](=O)[O-] ZINC000357243405 291030038 /nfs/dbraw/zinc/03/00/38/291030038.db2.gz XEWZKHLHQUZTAC-JTQLQIEISA-N 1 0 319.365 1.518 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000319990581 354523732 /nfs/dbraw/zinc/52/37/32/354523732.db2.gz AEWBVOBGLPSXRO-IUCAKERBSA-N 1 0 317.367 1.008 20 5 DDBDRO Cc1cc(NCC[C@@]2(O)CCOC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000404224568 354675020 /nfs/dbraw/zinc/67/50/20/354675020.db2.gz KOOHTLQBYMDYGQ-MRXNPFEDSA-N 1 0 317.345 1.827 20 5 DDBDRO CCO[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC)C[C@H]1C[NH3+] ZINC000405726406 354679234 /nfs/dbraw/zinc/67/92/34/354679234.db2.gz VQSAVHPEASZJTN-IUODEOHRSA-N 1 0 309.366 1.399 20 5 DDBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601310471 358490199 /nfs/dbraw/zinc/49/01/99/358490199.db2.gz PMJFASSNPBLPCY-BXKDBHETSA-N 1 0 307.325 1.946 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000588862580 354944390 /nfs/dbraw/zinc/94/43/90/354944390.db2.gz GNUWJJLRWMGECZ-KGLIPLIRSA-N 1 0 319.361 1.184 20 5 DDBDRO Cc1cccc(C(=O)N2CC[C@H]([N@@H+]3CC[C@H](O)C3)C2)c1[N+](=O)[O-] ZINC000588863639 354944484 /nfs/dbraw/zinc/94/44/84/354944484.db2.gz SGMITZDFPYJMLW-STQMWFEESA-N 1 0 319.361 1.184 20 5 DDBDRO C[NH+](C)C[C@H](CO)Nc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000589101873 354959451 /nfs/dbraw/zinc/95/94/51/354959451.db2.gz OXDMXSKWGDJHSH-SECBINFHSA-N 1 0 305.281 1.531 20 5 DDBDRO CC[NH+]1CCN([C@H](C)CNc2ncc([N+](=O)[O-])cc2F)CC1 ZINC000591139826 355254196 /nfs/dbraw/zinc/25/41/96/355254196.db2.gz OXQQJEQMOKYPEI-LLVKDONJSA-N 1 0 311.361 1.567 20 5 DDBDRO CC1CC[NH+](C[C@@H](O)CNc2ncc([N+](=O)[O-])cc2F)CC1 ZINC000591146263 355255005 /nfs/dbraw/zinc/25/50/05/355255005.db2.gz REXRQGDRBPLKMQ-LBPRGKRZSA-N 1 0 312.345 1.634 20 5 DDBDRO O=C(NCCC[NH2+]C1CC1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000591358563 355299876 /nfs/dbraw/zinc/29/98/76/355299876.db2.gz HKHSQPMVSQXNAR-UHFFFAOYSA-N 1 0 318.377 1.805 20 5 DDBDRO COC1CCC([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000591770764 355381696 /nfs/dbraw/zinc/38/16/96/355381696.db2.gz WMGKJSRTMXVNRA-ROKHWSDSSA-N 1 0 324.377 1.882 20 5 DDBDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000591682057 355360795 /nfs/dbraw/zinc/36/07/95/355360795.db2.gz SQPCHFWGONVZBX-MNOVXSKESA-N 1 0 314.345 1.952 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(N2CN(CC[NH+](C)C)C(=O)[C@H]2C)c1 ZINC000591984429 355453253 /nfs/dbraw/zinc/45/32/53/355453253.db2.gz GQXMBRWEZLZTAF-GFCCVEGCSA-N 1 0 306.366 1.459 20 5 DDBDRO Cc1cc(N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)c(F)cc1[N+](=O)[O-] ZINC000591984801 355453303 /nfs/dbraw/zinc/45/33/03/355453303.db2.gz HXDJFDCWBIEWAK-NSHDSACASA-N 1 0 324.356 1.599 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CCC[C@@H]3CCOC3)CC2)cn1 ZINC000592058605 355479663 /nfs/dbraw/zinc/47/96/63/355479663.db2.gz HWSXTTHAJKWDSN-CQSZACIVSA-N 1 0 320.393 1.929 20 5 DDBDRO COc1cc(C(=O)N2CCC(C)([NH3+])CC2)cc([N+](=O)[O-])c1C ZINC000592331553 355561058 /nfs/dbraw/zinc/56/10/58/355561058.db2.gz WEUDBMYFQVPFHV-UHFFFAOYSA-N 1 0 307.350 1.865 20 5 DDBDRO CC(C)[C@H]1CN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000592485220 355596438 /nfs/dbraw/zinc/59/64/38/355596438.db2.gz RSZDULXWHAJBEI-SWLSCSKDSA-N 1 0 320.393 1.852 20 5 DDBDRO O=[N+]([O-])c1cc2c(cc1CN1CC[C@H]3CC[C@@H](C1)[NH2+]3)OCCO2 ZINC000592427839 355580014 /nfs/dbraw/zinc/58/00/14/355580014.db2.gz MYIUFYRKKMPTCG-OLZOCXBDSA-N 1 0 319.361 1.692 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592555245 355627277 /nfs/dbraw/zinc/62/72/77/355627277.db2.gz PIFGXLSEXYWLSL-QWHCGFSZSA-N 1 0 320.393 1.785 20 5 DDBDRO C[N@@H+]1CCC[C@@H]1CN1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000592999799 355765671 /nfs/dbraw/zinc/76/56/71/355765671.db2.gz DYTGWZCCXMRIIN-CQSZACIVSA-N 1 0 304.394 1.811 20 5 DDBDRO C[C@H](CNC(=O)Cc1ccc(F)cc1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000593448322 355888157 /nfs/dbraw/zinc/88/81/57/355888157.db2.gz QKGUPGHPFCHLQU-SNVBAGLBSA-N 1 0 309.341 1.875 20 5 DDBDRO C[NH+](C)CC[C@@H](N)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000593907449 356052997 /nfs/dbraw/zinc/05/29/97/356052997.db2.gz OYMUSYPDOWVYGD-CQSZACIVSA-N 1 0 320.393 1.365 20 5 DDBDRO COc1c(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)cccc1[N+](=O)[O-] ZINC000594101864 356113511 /nfs/dbraw/zinc/11/35/11/356113511.db2.gz CHBDLRRASHYTDL-PHIMTYICSA-N 1 0 307.350 1.673 20 5 DDBDRO Cc1ccc(NC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000594058110 356102520 /nfs/dbraw/zinc/10/25/20/356102520.db2.gz FMQVXXXFXKWDIX-QWHCGFSZSA-N 1 0 320.349 1.186 20 5 DDBDRO COc1cccc([N+](=O)[O-])c1N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000594548819 356247766 /nfs/dbraw/zinc/24/77/66/356247766.db2.gz HOMGAARDYQLDQT-TZMCWYRMSA-N 1 0 321.377 1.639 20 5 DDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000601330837 358501198 /nfs/dbraw/zinc/50/11/98/358501198.db2.gz YJWTVRSUSQTTHJ-RTXFEEFZSA-N 1 0 304.350 1.358 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]Cc2ccc3occc3c2)c1 ZINC000594718572 356295494 /nfs/dbraw/zinc/29/54/94/356295494.db2.gz SVLPRYMUBPPMEG-CQSZACIVSA-N 1 0 316.317 1.688 20 5 DDBDRO C[C@@]1(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1(F)F ZINC000594732765 356300750 /nfs/dbraw/zinc/30/07/50/356300750.db2.gz MWHJJMSWZNTFQN-YPMHNXCESA-N 1 0 316.304 1.969 20 5 DDBDRO C[C@@]1(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1(F)F ZINC000594732743 356300871 /nfs/dbraw/zinc/30/08/71/356300871.db2.gz MPMCHYGBSPZXKS-MFKMUULPSA-N 1 0 316.304 1.969 20 5 DDBDRO CCc1ccc(S(=O)(=O)N(C)CC(C)(C)[NH3+])cc1[N+](=O)[O-] ZINC000595115841 356384680 /nfs/dbraw/zinc/38/46/80/356384680.db2.gz LKDFZEVBVRAJGJ-UHFFFAOYSA-N 1 0 315.395 1.515 20 5 DDBDRO CCc1ccc(S(=O)(=O)N[C@H](C)C[NH2+]C)cc1[N+](=O)[O-] ZINC000595118849 356385364 /nfs/dbraw/zinc/38/53/64/356385364.db2.gz HIHXUGDYUGUPDH-SECBINFHSA-N 1 0 301.368 1.043 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NCC12CC(C1)C[NH2+]2 ZINC000595228787 356412312 /nfs/dbraw/zinc/41/23/12/356412312.db2.gz LTWTUMIWJMENQK-UHFFFAOYSA-N 1 0 306.322 1.477 20 5 DDBDRO Cc1c(NC(=O)C(=O)NCC[C@@H]([NH3+])C(C)C)cccc1[N+](=O)[O-] ZINC000595241605 356415049 /nfs/dbraw/zinc/41/50/49/356415049.db2.gz CXQYUYPYYYQKHE-LLVKDONJSA-N 1 0 322.365 1.331 20 5 DDBDRO C[NH2+]C[C@@H]1CCN(S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])C1 ZINC000601337605 358505626 /nfs/dbraw/zinc/50/56/26/358505626.db2.gz FBCGEVKZEGDYSV-VIFPVBQESA-N 1 0 319.408 1.195 20 5 DDBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000081362741 192256995 /nfs/dbraw/zinc/25/69/95/192256995.db2.gz NRFIZTDRRQFFAR-ZDUSSCGKSA-N 1 0 323.397 1.372 20 5 DDBDRO Cc1noc(CN2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)c1[N+](=O)[O-] ZINC000595469720 356504624 /nfs/dbraw/zinc/50/46/24/356504624.db2.gz XENPONFZGWMPRY-DRCTWCGVSA-N 1 0 311.338 1.660 20 5 DDBDRO COCC[N@H+](C)C[C@@H](O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000565224454 304055054 /nfs/dbraw/zinc/05/50/54/304055054.db2.gz JCUAANSZRLUIGI-CQSZACIVSA-N 1 0 314.407 1.767 20 5 DDBDRO CCCc1n[nH]c(C(=O)NC[C@@H]([NH3+])c2ccccc2)c1[N+](=O)[O-] ZINC000236884604 202051210 /nfs/dbraw/zinc/05/12/10/202051210.db2.gz AJNRBYYKFRIBRM-LLVKDONJSA-N 1 0 317.349 1.700 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](CO)C1CCC1 ZINC000595613693 356578114 /nfs/dbraw/zinc/57/81/14/356578114.db2.gz AFGBORGCIVNHDH-ZDUSSCGKSA-N 1 0 323.349 1.293 20 5 DDBDRO C[C@@]12COC[C@@H]1C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC000595759871 356640487 /nfs/dbraw/zinc/64/04/87/356640487.db2.gz QLCVJRQXWFAFMZ-BLLLJJGKSA-N 1 0 319.361 1.892 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H]2C[C@@H](O)C23CCC3)c1 ZINC000595785037 356651582 /nfs/dbraw/zinc/65/15/82/356651582.db2.gz VVVUHBVZNJFYME-ZIAGYGMSSA-N 1 0 320.345 1.775 20 5 DDBDRO C[N@@H+]1CCCC[C@H]1C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000618265119 363551158 /nfs/dbraw/zinc/55/11/58/363551158.db2.gz UWIUCVGCOZZTKY-ZDUSSCGKSA-N 1 0 317.349 1.572 20 5 DDBDRO Cn1c(C(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)ccc1[N+](=O)[O-] ZINC000595932981 356710793 /nfs/dbraw/zinc/71/07/93/356710793.db2.gz FRKVHHFTBGHGKF-ZDUSSCGKSA-N 1 0 320.393 1.785 20 5 DDBDRO C[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1nccn1C ZINC000596071054 356762181 /nfs/dbraw/zinc/76/21/81/356762181.db2.gz WXGPLUSIMUMSOR-RYUDHWBXSA-N 1 0 320.349 1.419 20 5 DDBDRO C[C@@H](CNc1ccc([N+](=O)[O-])c(C(N)=O)c1)C[NH+]1CCCC1 ZINC000596087417 356767185 /nfs/dbraw/zinc/76/71/85/356767185.db2.gz BSZDLOUHGPYAKX-NSHDSACASA-N 1 0 306.366 1.838 20 5 DDBDRO CC(C)[NH2+][C@H]1CCCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596099225 356771049 /nfs/dbraw/zinc/77/10/49/356771049.db2.gz PVIDZVQMXNIAQX-NSHDSACASA-N 1 0 306.366 1.661 20 5 DDBDRO CC(C)[C@H]1CN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CC[N@@H+]1C ZINC000596206013 356813399 /nfs/dbraw/zinc/81/33/99/356813399.db2.gz JWLIDHNVNHCMNZ-CQSZACIVSA-N 1 0 306.366 1.470 20 5 DDBDRO C[C@H](CNc1ccc([N+](=O)[O-])c(C(N)=O)c1)C[NH+]1CCOCC1 ZINC000596136171 356786268 /nfs/dbraw/zinc/78/62/68/356786268.db2.gz VLLLPVQXIHKWBF-LLVKDONJSA-N 1 0 322.365 1.074 20 5 DDBDRO Cc1ccnc(N2CCC(CO)([NH2+]CC3CC3)CC2)c1[N+](=O)[O-] ZINC000596264881 356838001 /nfs/dbraw/zinc/83/80/01/356838001.db2.gz LNWIZWWLMDJIEN-UHFFFAOYSA-N 1 0 320.393 1.629 20 5 DDBDRO C[N@@H+]1CCC[C@@H](CCNc2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596272242 356840136 /nfs/dbraw/zinc/84/01/36/356840136.db2.gz VHSIFWUFXKRTRJ-NSHDSACASA-N 1 0 306.366 1.838 20 5 DDBDRO COc1cc(C(=O)N2CCC[NH2+]CC2)c([N+](=O)[O-])cc1OC ZINC000237233487 202198816 /nfs/dbraw/zinc/19/88/16/202198816.db2.gz GRIPKUKLFXSVNS-UHFFFAOYSA-N 1 0 309.322 1.048 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1CN1CCC(CCC[NH+](C)C)CC1 ZINC000347572330 283231666 /nfs/dbraw/zinc/23/16/66/283231666.db2.gz SOKFIALDGAGRFY-UHFFFAOYSA-N 1 0 309.414 1.882 20 5 DDBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N[C@H]1CC12CC[NH2+]CC2 ZINC000597440944 357176858 /nfs/dbraw/zinc/17/68/58/357176858.db2.gz PQCOSIUHZQBNRW-AWEZNQCLSA-N 1 0 318.377 1.579 20 5 DDBDRO C[C@@H]1COCC[N@@H+]1C1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000597677978 357281383 /nfs/dbraw/zinc/28/13/83/357281383.db2.gz KIARSQNZOHAKBK-LLVKDONJSA-N 1 0 322.365 1.248 20 5 DDBDRO COc1c(C(=O)N2CC[C@@H]([NH+](C)C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000597701468 357292187 /nfs/dbraw/zinc/29/21/87/357292187.db2.gz UKCSSVNJSBLWFZ-ZYHUDNBSSA-N 1 0 307.350 1.768 20 5 DDBDRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000597922517 357382945 /nfs/dbraw/zinc/38/29/45/357382945.db2.gz FKLRSAUMPFVPJU-LBPRGKRZSA-N 1 0 321.377 1.963 20 5 DDBDRO CN(CCC[NH+](C)C)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000597989639 357407329 /nfs/dbraw/zinc/40/73/29/357407329.db2.gz HHVLMVRUNYQICT-UHFFFAOYSA-N 1 0 308.382 1.208 20 5 DDBDRO C[C@@H](CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)[NH+](C)C ZINC000597998096 357413721 /nfs/dbraw/zinc/41/37/21/357413721.db2.gz OZUWQHWSSHVYNH-VIFPVBQESA-N 1 0 309.322 1.394 20 5 DDBDRO CCC[N@@H+]1CC[C@H](NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000598342515 357545960 /nfs/dbraw/zinc/54/59/60/357545960.db2.gz OCWWWLZGKKAOOX-ZDUSSCGKSA-N 1 0 309.341 1.877 20 5 DDBDRO CCOc1ccc(C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)cc1[N+](=O)[O-] ZINC000598670571 357678929 /nfs/dbraw/zinc/67/89/29/357678929.db2.gz UWDMKZMOPITKKZ-LRDDRELGSA-N 1 0 319.361 1.947 20 5 DDBDRO C[C@@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H]1CO ZINC000598646918 357668763 /nfs/dbraw/zinc/66/87/63/357668763.db2.gz AVPAXNZJYHFJBK-ZWNOBZJWSA-N 1 0 307.350 1.144 20 5 DDBDRO C[C@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1CO ZINC000598648869 357670392 /nfs/dbraw/zinc/67/03/92/357670392.db2.gz IAHAZUMIZJXQCD-STQMWFEESA-N 1 0 321.377 1.874 20 5 DDBDRO [NH3+][C@@]12CCC[C@@H]1CN(C(=O)COc1ccc([N+](=O)[O-])cc1)C2 ZINC000598667441 357677525 /nfs/dbraw/zinc/67/75/25/357677525.db2.gz HIGMJPKHUJSQLL-IAQYHMDHSA-N 1 0 305.334 1.313 20 5 DDBDRO CC(C)[C@@H]1CN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC[NH2+]1 ZINC000598574794 357638148 /nfs/dbraw/zinc/63/81/48/357638148.db2.gz UNDZAAXYIPYIHO-NSHDSACASA-N 1 0 321.333 1.394 20 5 DDBDRO [NH3+][C@]12CCC[C@@H]1CN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C2 ZINC000598682141 357684968 /nfs/dbraw/zinc/68/49/68/357684968.db2.gz MDEPJIBVZRUTRE-WBMJQRKESA-N 1 0 318.377 1.737 20 5 DDBDRO C[C@@H]1CCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000598913294 357757001 /nfs/dbraw/zinc/75/70/01/357757001.db2.gz JGTJHCSKVWESHH-MFKMUULPSA-N 1 0 320.349 1.119 20 5 DDBDRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598915473 357757981 /nfs/dbraw/zinc/75/79/81/357757981.db2.gz MMRNBTGGDTUHCN-GXFFZTMASA-N 1 0 320.349 1.262 20 5 DDBDRO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000599625807 357997257 /nfs/dbraw/zinc/99/72/57/357997257.db2.gz PRNZPXQAMGHDAE-LFNDISMMSA-N 1 0 307.350 1.595 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000599779356 358057140 /nfs/dbraw/zinc/05/71/40/358057140.db2.gz HCSGWDYQEUDRRB-LBPRGKRZSA-N 1 0 308.338 1.091 20 5 DDBDRO CC(C)[C@H]1C[NH2+]CCN1C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000599919064 358080829 /nfs/dbraw/zinc/08/08/29/358080829.db2.gz BGQIPQFJFSPRKT-OAHLLOKOSA-N 1 0 320.393 1.777 20 5 DDBDRO O=C(NCC[N@H+]1CC[C@@H](O)C1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000600534614 358250794 /nfs/dbraw/zinc/25/07/94/358250794.db2.gz OYFCNKOISNKTEH-GFCCVEGCSA-N 1 0 313.741 1.045 20 5 DDBDRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000237424307 202260381 /nfs/dbraw/zinc/26/03/81/202260381.db2.gz WLSXNOCPFRHSCJ-UWVGGRQHSA-N 1 0 322.321 1.702 20 5 DDBDRO C[C@@H](O)C[NH+]1CCN(c2ccnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000601112999 358406213 /nfs/dbraw/zinc/40/62/13/358406213.db2.gz AOGIZRXDFQCHAN-GFCCVEGCSA-N 1 0 316.361 1.646 20 5 DDBDRO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000180931588 199228983 /nfs/dbraw/zinc/22/89/83/199228983.db2.gz DDQMAYLUHYSTNI-NSHDSACASA-N 1 0 306.366 1.781 20 5 DDBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]CC[C@@H](O)C(F)F)OCCO2 ZINC000601147350 358421430 /nfs/dbraw/zinc/42/14/30/358421430.db2.gz LEBUHNMEDSLTGT-SNVBAGLBSA-N 1 0 318.276 1.472 20 5 DDBDRO Cc1cc(S(=O)(=O)NC[C@H]2CC[N@@H+](C)C2)c([N+](=O)[O-])s1 ZINC000601434228 358551693 /nfs/dbraw/zinc/55/16/93/358551693.db2.gz NOIKOOXFYAHVGA-SECBINFHSA-N 1 0 319.408 1.195 20 5 DDBDRO Cc1c(CNS(=O)(=O)CCC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000601401333 358536592 /nfs/dbraw/zinc/53/65/92/358536592.db2.gz MVDGRYOUPMDLSQ-UHFFFAOYSA-N 1 0 315.395 1.274 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000601556412 358599121 /nfs/dbraw/zinc/59/91/21/358599121.db2.gz LEQTXPUBNFIWTC-RISCZKNCSA-N 1 0 319.361 1.818 20 5 DDBDRO C[C@@H]1C[C@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@@H](C)O1 ZINC000601967075 358756807 /nfs/dbraw/zinc/75/68/07/358756807.db2.gz FHUJUAFUCPGTPP-LPWJVIDDSA-N 1 0 310.350 1.490 20 5 DDBDRO Cc1c(C[NH2+][C@@H]2CCCS(=O)(=O)CC2)cccc1[N+](=O)[O-] ZINC000602017901 358778571 /nfs/dbraw/zinc/77/85/71/358778571.db2.gz UTGFSKSMXYWJEE-CYBMUJFWSA-N 1 0 312.391 1.960 20 5 DDBDRO C[NH2+][C@H]1CCN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC000602425908 358968719 /nfs/dbraw/zinc/96/87/19/358968719.db2.gz YAGVMKFLVKUYSK-ZDUSSCGKSA-N 1 0 303.362 1.837 20 5 DDBDRO COc1cc(C(=O)N[C@@H]2CC[NH2+]C23CCC3)cc([N+](=O)[O-])c1C ZINC000602532834 359030803 /nfs/dbraw/zinc/03/08/03/359030803.db2.gz MNSUHAGDFCKRHT-CQSZACIVSA-N 1 0 319.361 1.926 20 5 DDBDRO COC[C@@]1(C(=O)N(C)Cc2ccccc2[N+](=O)[O-])CCCC[NH2+]1 ZINC000602445473 358981675 /nfs/dbraw/zinc/98/16/75/358981675.db2.gz WCSMOZPTEPXAEM-MRXNPFEDSA-N 1 0 321.377 1.712 20 5 DDBDRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000602492042 359013545 /nfs/dbraw/zinc/01/35/45/359013545.db2.gz KSHCQFNSVNYIHL-FZMZJTMJSA-N 1 0 303.362 1.965 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CC3(CCO)CC3)CC2)cn1 ZINC000602624807 359081776 /nfs/dbraw/zinc/08/17/76/359081776.db2.gz OJXUDHXQOXBQDS-UHFFFAOYSA-N 1 0 320.393 1.711 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000602775666 359182593 /nfs/dbraw/zinc/18/25/93/359182593.db2.gz MAFJAVFFTSAAQN-KOLCDFICSA-N 1 0 322.287 1.487 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000602783087 359189164 /nfs/dbraw/zinc/18/91/64/359189164.db2.gz YESKUXVPIIDHBT-LBPRGKRZSA-N 1 0 324.381 1.763 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CCN1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000602840546 359230347 /nfs/dbraw/zinc/23/03/47/359230347.db2.gz NUEJYOOMXWADMU-CYBMUJFWSA-N 1 0 321.425 1.906 20 5 DDBDRO Cn1cc(C[NH2+][C@@H]2CCN(C)[C@H]2c2ccccc2)c([N+](=O)[O-])n1 ZINC000602822936 359217052 /nfs/dbraw/zinc/21/70/52/359217052.db2.gz HJXFEDOHUVNYHR-CABCVRRESA-N 1 0 315.377 1.863 20 5 DDBDRO Cn1cc(C[NH2+][C@@H]2CCO[C@H]2c2ccccc2)c([N+](=O)[O-])n1 ZINC000602918552 359294217 /nfs/dbraw/zinc/29/42/17/359294217.db2.gz SVTWROUKFMCZSN-KGLIPLIRSA-N 1 0 302.334 1.948 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CN1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000602877042 359260192 /nfs/dbraw/zinc/26/01/92/359260192.db2.gz KNIWWQQAVNLCFO-MRXNPFEDSA-N 1 0 323.393 1.492 20 5 DDBDRO Cc1cncc([N+](=O)[O-])c1NC(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000602961503 359324008 /nfs/dbraw/zinc/32/40/08/359324008.db2.gz UUKSYINBAUEHPO-HNNXBMFYSA-N 1 0 319.365 1.280 20 5 DDBDRO C[C@@H]1COCC[N@@H+]1C1CCN(c2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000603401261 359617823 /nfs/dbraw/zinc/61/78/23/359617823.db2.gz KPMNSPJOJHQTOA-LLVKDONJSA-N 1 0 324.356 1.818 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)CCCCO ZINC000276225932 212741666 /nfs/dbraw/zinc/74/16/66/212741666.db2.gz BTPRWVCDTMKMPH-UHFFFAOYSA-N 1 0 309.366 1.936 20 5 DDBDRO Cc1c(C(=O)N[C@H](C[NH3+])C2CC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000237841751 202367130 /nfs/dbraw/zinc/36/71/30/202367130.db2.gz QEGVOBZHFUCEFT-LLVKDONJSA-N 1 0 322.321 1.587 20 5 DDBDRO CCOC(=O)c1cc(C(=O)N2CC[NH2+][C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000189018413 200336571 /nfs/dbraw/zinc/33/65/71/200336571.db2.gz LEFLYJDILKXKBF-SNVBAGLBSA-N 1 0 321.333 1.205 20 5 DDBDRO COc1cc(C(=O)NCC2=CC[NH2+]CC2)c([N+](=O)[O-])cc1OC ZINC000189292871 200376747 /nfs/dbraw/zinc/37/67/47/200376747.db2.gz DPKRBXGXJRUJGC-UHFFFAOYSA-N 1 0 321.333 1.262 20 5 DDBDRO COc1ccc(CC(=O)N[C@@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000609044639 360258162 /nfs/dbraw/zinc/25/81/62/360258162.db2.gz NVQMWTQYHZDBMK-GFCCVEGCSA-N 1 0 307.350 1.356 20 5 DDBDRO CC[N@@H+]1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000609283851 360287037 /nfs/dbraw/zinc/28/70/37/360287037.db2.gz FREMKTLZMUTXFV-ZFWWWQNUSA-N 1 0 323.393 1.361 20 5 DDBDRO CC[NH+]1CCN([C@H]2CCN(c3ccc([N+](=O)[O-])s3)C2)CC1 ZINC000609288371 360288235 /nfs/dbraw/zinc/28/82/35/360288235.db2.gz ODOKBPRMNUJARU-LBPRGKRZSA-N 1 0 310.423 1.873 20 5 DDBDRO COc1ccc(CC(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000610208768 360390744 /nfs/dbraw/zinc/39/07/44/360390744.db2.gz KRPRCMCVDQXJMO-WCQYABFASA-N 1 0 321.377 1.745 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[NH+](C(C)(C)CO)CC1 ZINC000610481048 360446791 /nfs/dbraw/zinc/44/67/91/360446791.db2.gz FFBKEKMPQWUNEN-UHFFFAOYSA-N 1 0 323.393 1.492 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000610489245 360450175 /nfs/dbraw/zinc/45/01/75/360450175.db2.gz SJSUTGJFUDTYNE-GFCCVEGCSA-N 1 0 309.370 1.019 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)NC[C@H](C)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000610922159 360572545 /nfs/dbraw/zinc/57/25/45/360572545.db2.gz BCJMNSNUPSNQET-JTQLQIEISA-N 1 0 309.370 1.655 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC(=O)N1CCN(C)CC1 ZINC000610805644 360541473 /nfs/dbraw/zinc/54/14/73/360541473.db2.gz UPJUQNHYDGRIHS-ZDUSSCGKSA-N 1 0 320.393 1.328 20 5 DDBDRO CC(C)[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)C(=O)N1CCCC1 ZINC000611395112 360710253 /nfs/dbraw/zinc/71/02/53/360710253.db2.gz BSLQIWDKNZMWEQ-ZDUSSCGKSA-N 1 0 309.370 1.028 20 5 DDBDRO CC(C)[NH2+][C@H]1CCCN(C(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000611597555 360774175 /nfs/dbraw/zinc/77/41/75/360774175.db2.gz RYGUBTSEHLFRSS-NSHDSACASA-N 1 0 307.354 1.406 20 5 DDBDRO CCn1ncnc1C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000359072948 299320353 /nfs/dbraw/zinc/32/03/53/299320353.db2.gz SQFDEHBZBVMEBY-VXGBXAGGSA-N 1 0 319.369 1.676 20 5 DDBDRO C[C@@H](C[NH3+])N(C)S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000193280138 201018578 /nfs/dbraw/zinc/01/85/78/201018578.db2.gz UMHJSVCCNYWZRJ-VIFPVBQESA-N 1 0 324.362 1.111 20 5 DDBDRO C[C@H](c1ccccn1)[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000091704438 193094630 /nfs/dbraw/zinc/09/46/30/193094630.db2.gz QTHUBOOFELLQSQ-GFCCVEGCSA-N 1 0 302.334 1.845 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@H]2CC[C@@H](CO)C2)c1 ZINC000566235649 304131580 /nfs/dbraw/zinc/13/15/80/304131580.db2.gz ZWEUYZLFTPXDTF-DYEKYZERSA-N 1 0 310.350 1.085 20 5 DDBDRO COc1cc(OCC(=O)N[C@H](C)C[C@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000566258684 304134774 /nfs/dbraw/zinc/13/47/74/304134774.db2.gz ZXRCHWNXFXFJFS-VHSXEESVSA-N 1 0 311.338 1.224 20 5 DDBDRO C[C@H](CC[NH3+])NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000349932790 284109374 /nfs/dbraw/zinc/10/93/74/284109374.db2.gz CUFYYPGYROGLER-SNVBAGLBSA-N 1 0 303.322 1.248 20 5 DDBDRO C[C@H](CC[NH3+])NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000349955937 284118397 /nfs/dbraw/zinc/11/83/97/284118397.db2.gz AHRCJYJVHPUJMH-SSDOTTSWSA-N 1 0 316.155 1.824 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000261839273 203130999 /nfs/dbraw/zinc/13/09/99/203130999.db2.gz IOZMIAXBSRURAM-CQSZACIVSA-N 1 0 318.377 1.023 20 5 DDBDRO C[NH2+]CCC1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000262033390 203179566 /nfs/dbraw/zinc/17/95/66/203179566.db2.gz ZETDXBOUCXKRFP-UHFFFAOYSA-N 1 0 305.378 1.985 20 5 DDBDRO C[NH2+]CCC1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000262095328 203197158 /nfs/dbraw/zinc/19/71/58/203197158.db2.gz IFTDNIHEYMNBMF-UHFFFAOYSA-N 1 0 305.378 1.985 20 5 DDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)CC(C)(C)C[NH3+] ZINC000093873649 193320708 /nfs/dbraw/zinc/32/07/08/193320708.db2.gz QFRIEQYJKBXJPG-UHFFFAOYSA-N 1 0 315.395 1.509 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000264474199 203946543 /nfs/dbraw/zinc/94/65/43/203946543.db2.gz GTOBKDXKWCYUQI-CYBMUJFWSA-N 1 0 321.381 1.187 20 5 DDBDRO NC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000264577160 204006350 /nfs/dbraw/zinc/00/63/50/204006350.db2.gz ITHNVOLSRVZSMM-NSHDSACASA-N 1 0 319.365 1.153 20 5 DDBDRO Cc1nn(C)c(C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)c1[N+](=O)[O-] ZINC000264609551 204026377 /nfs/dbraw/zinc/02/63/77/204026377.db2.gz ZAUHTSUJIHPXLH-GFCCVEGCSA-N 1 0 321.381 1.337 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000264654992 204056109 /nfs/dbraw/zinc/05/61/09/204056109.db2.gz PRIQNDJQIGQCBE-CYBMUJFWSA-N 1 0 321.381 1.271 20 5 DDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000351478003 284331645 /nfs/dbraw/zinc/33/16/45/284331645.db2.gz OIQCYLRTANVBEA-BAESOJJISA-N 1 0 318.377 1.591 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000351479212 284331981 /nfs/dbraw/zinc/33/19/81/284331981.db2.gz QQARQOSUXSUHMY-XQQFMLRXSA-N 1 0 318.377 1.511 20 5 DDBDRO COCC[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(OC)c2)C[C@H]1C ZINC000266338977 205278050 /nfs/dbraw/zinc/27/80/50/205278050.db2.gz IAJOSKAXUPPWQB-GFCCVEGCSA-N 1 0 309.366 1.760 20 5 DDBDRO CC(C)[C@H](C(=O)NCCn1cc([N+](=O)[O-])cn1)[NH+]1CCCCC1 ZINC000156987653 248308828 /nfs/dbraw/zinc/30/88/28/248308828.db2.gz MPCFBHUOWFFMPQ-CQSZACIVSA-N 1 0 323.397 1.418 20 5 DDBDRO CNC(=O)c1ccc(N[C@H]2CC[N@H+](C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000336859132 249266763 /nfs/dbraw/zinc/26/67/63/249266763.db2.gz FIZDEHBJZDGWGA-JQWIXIFHSA-N 1 0 306.366 1.849 20 5 DDBDRO C[C@H](CO)[C@H](C)[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000274013357 211271199 /nfs/dbraw/zinc/27/11/99/211271199.db2.gz LZYDNRJLSWHIHR-ZJUUUORDSA-N 1 0 306.322 1.751 20 5 DDBDRO C[C@@H](CNc1ncc([N+](=O)[O-])cc1C(N)=O)[N@@H+]1CCCC[C@@H]1C ZINC000339003576 250241623 /nfs/dbraw/zinc/24/16/23/250241623.db2.gz OCJKYRYAEGHHQS-QWRGUYRKSA-N 1 0 321.381 1.764 20 5 DDBDRO CCOCC(C)(C)[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000339374141 250442838 /nfs/dbraw/zinc/44/28/38/250442838.db2.gz RFRMPCMPXFOGDR-UHFFFAOYSA-N 1 0 321.377 1.889 20 5 DDBDRO CCCN(CCN1CC[NH+](CC)CC1)c1ncc([N+](=O)[O-])cn1 ZINC000341041700 251350564 /nfs/dbraw/zinc/35/05/64/251350564.db2.gz OPFCESBDZRDWPT-UHFFFAOYSA-N 1 0 322.413 1.239 20 5 DDBDRO COc1cc(C[N@@H+]2C[C@@H](C(N)=O)CC[C@H]2C)ccc1[N+](=O)[O-] ZINC000352404119 285027815 /nfs/dbraw/zinc/02/78/15/285027815.db2.gz CGCLMCGKIYZDIR-PWSUYJOCSA-N 1 0 307.350 1.689 20 5 DDBDRO O=C1CN(CCCNc2ccc([N+](=O)[O-])cc2Cl)CCN1 ZINC000270004648 208058252 /nfs/dbraw/zinc/05/82/52/208058252.db2.gz ZJYGWRRPFFMNLN-UHFFFAOYSA-N 1 0 312.757 1.482 20 5 DDBDRO C[NH+]1CCC([C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)CC1 ZINC000270057665 208115251 /nfs/dbraw/zinc/11/52/51/208115251.db2.gz DMNCNOGMQYWNGP-GFCCVEGCSA-N 1 0 306.366 1.727 20 5 DDBDRO C[NH2+][C@H]1CCN(CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000430607147 533038359 /nfs/dbraw/zinc/03/83/59/533038359.db2.gz BJOSKKFHDBYKSE-NSHDSACASA-N 1 0 322.365 1.226 20 5 DDBDRO NC(=O)c1ccc(CN2CC[C@@]3(C2)CCC[NH2+]C3)c([N+](=O)[O-])c1 ZINC000567890083 304252684 /nfs/dbraw/zinc/25/26/84/304252684.db2.gz IMZWVCQPJJMYPT-INIZCTEOSA-N 1 0 318.377 1.269 20 5 DDBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]2CN2CCOCC2)cc1 ZINC000174014506 285112613 /nfs/dbraw/zinc/11/26/13/285112613.db2.gz ONTBZBJYOZXGOM-MRXNPFEDSA-N 1 0 305.378 1.891 20 5 DDBDRO Cc1cc(C(=O)NCCC[N@@H+](C)CCN(C)C)cc([N+](=O)[O-])c1 ZINC000288729580 220375805 /nfs/dbraw/zinc/37/58/05/220375805.db2.gz NLLSODWVHWMWBI-UHFFFAOYSA-N 1 0 322.409 1.517 20 5 DDBDRO Cc1nn(CCC(=O)N[C@H]2CCC[C@H]2C[NH3+])c(C)c1[N+](=O)[O-] ZINC000158069059 197240511 /nfs/dbraw/zinc/24/05/11/197240511.db2.gz VWUXJDQZDKNSSU-RYUDHWBXSA-N 1 0 309.370 1.042 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[NH2+][C@@H](C)[C@@H]1C ZINC000436059032 533138984 /nfs/dbraw/zinc/13/89/84/533138984.db2.gz JUSSJGLNJLAWOE-QWRGUYRKSA-N 1 0 322.365 1.224 20 5 DDBDRO CC[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000289530328 221043137 /nfs/dbraw/zinc/04/31/37/221043137.db2.gz JEHUEUKPTFXCEX-OLZOCXBDSA-N 1 0 321.333 1.708 20 5 DDBDRO C[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(C)CC1 ZINC000121848832 195360708 /nfs/dbraw/zinc/36/07/08/195360708.db2.gz DWVAZBZPNKPVMU-ZDUSSCGKSA-N 1 0 320.393 1.208 20 5 DDBDRO CC(C)[C@](C)(CO)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000352889893 285364715 /nfs/dbraw/zinc/36/47/15/285364715.db2.gz BJWQTSTWTNALSR-WFASDCNBSA-N 1 0 312.366 1.331 20 5 DDBDRO Cc1cc(NC(=O)NC[C@@]2(O)CC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000352903247 285376202 /nfs/dbraw/zinc/37/62/02/285376202.db2.gz SFNSZGXVBDUGHD-AWEZNQCLSA-N 1 0 308.338 1.091 20 5 DDBDRO C[C@@H]1C[C@@H](N(C)C(=O)COc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000124812084 195681534 /nfs/dbraw/zinc/68/15/34/195681534.db2.gz LLPVMHOMXAFNEL-OLZOCXBDSA-N 1 0 321.377 1.915 20 5 DDBDRO CN(C)C(=O)C[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000271627485 209072635 /nfs/dbraw/zinc/07/26/35/209072635.db2.gz NIDAZADDKSXVGQ-UHFFFAOYSA-N 1 0 306.366 1.559 20 5 DDBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000330738496 533389097 /nfs/dbraw/zinc/38/90/97/533389097.db2.gz NPJSRCNVEBUALW-NSHDSACASA-N 1 0 320.393 1.979 20 5 DDBDRO COc1cccc(C(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)c1[N+](=O)[O-] ZINC000422847499 533398237 /nfs/dbraw/zinc/39/82/37/533398237.db2.gz RLVAXRVAZLOMTR-GHMZBOCLSA-N 1 0 307.350 1.803 20 5 DDBDRO COc1ccc(CNC(=O)N2CC[NH2+]C(C)(C)C2)cc1[N+](=O)[O-] ZINC000417181152 533601057 /nfs/dbraw/zinc/60/10/57/533601057.db2.gz HVEWRLMYSPITBJ-UHFFFAOYSA-N 1 0 322.365 1.497 20 5 DDBDRO C[C@H](NC(=O)NC[C@@H]1C[NH2+]CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000417128079 533648063 /nfs/dbraw/zinc/64/80/63/533648063.db2.gz HSRSXUGECMBQAS-FZMZJTMJSA-N 1 0 322.365 1.334 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CCC[NH2+]C2)cc1C ZINC000071397253 291992519 /nfs/dbraw/zinc/99/25/19/291992519.db2.gz PQUIAJGUEUMIJX-NSHDSACASA-N 1 0 313.379 1.242 20 5 DDBDRO C[C@H](NC(=O)N[C@@H]1CC[NH2+]C[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000418232677 533673855 /nfs/dbraw/zinc/67/38/55/533673855.db2.gz NCJHVQFNGXBIAB-UHIISALHSA-N 1 0 306.366 1.953 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@H]2CC[C@H](O)CC2)c1 ZINC000579703962 422817369 /nfs/dbraw/zinc/81/73/69/422817369.db2.gz NXIIOCVVMZVTKG-UBHSHLNASA-N 1 0 310.350 1.228 20 5 DDBDRO CNc1ccc(C(=O)NC[C@H]2CCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000569926886 304384477 /nfs/dbraw/zinc/38/44/77/304384477.db2.gz YASKPGDCHTUPJX-JQWIXIFHSA-N 1 0 306.366 1.884 20 5 DDBDRO Cc1cccc(C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)c1[N+](=O)[O-] ZINC000261644756 407565372 /nfs/dbraw/zinc/56/53/72/407565372.db2.gz FFQYCIOTFGVPNR-ZDUSSCGKSA-N 1 0 318.377 1.023 20 5 DDBDRO CCCc1n[nH]c(C(=O)NC2CC[NH+](C(C)C)CC2)c1[N+](=O)[O-] ZINC000069082405 406679389 /nfs/dbraw/zinc/67/93/89/406679389.db2.gz KIXSBIWMRGOWPJ-UHFFFAOYSA-N 1 0 323.397 1.873 20 5 DDBDRO NC(=O)C1CC[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000026218751 406902963 /nfs/dbraw/zinc/90/29/63/406902963.db2.gz NUQZMRJHBRXMHA-UHFFFAOYSA-N 1 0 320.349 1.121 20 5 DDBDRO CCC[N@H+](CCO)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000076951554 406975523 /nfs/dbraw/zinc/97/55/23/406975523.db2.gz MABRLSLBUMBHOJ-UHFFFAOYSA-N 1 0 307.350 1.188 20 5 DDBDRO C[C@@H](CNC(=O)Cn1cc([N+](=O)[O-])cn1)[N@@H+]1CCC[C@H](C)C1 ZINC000046952150 407067470 /nfs/dbraw/zinc/06/74/70/407067470.db2.gz WKGPRRHWSMEWIA-RYUDHWBXSA-N 1 0 309.370 1.028 20 5 DDBDRO COc1ccc(C[NH+]2CCC(C(=O)N(C)C)CC2)cc1[N+](=O)[O-] ZINC000051230158 407137732 /nfs/dbraw/zinc/13/77/32/407137732.db2.gz HDPZLGCIECPAEY-UHFFFAOYSA-N 1 0 321.377 1.904 20 5 DDBDRO CC[C@@H]([NH2+]C[C@H](O)CN1CCCC1=O)c1cccc([N+](=O)[O-])c1 ZINC000089515125 407137974 /nfs/dbraw/zinc/13/79/74/407137974.db2.gz DUEYZMVZBTYISY-LSDHHAIUSA-N 1 0 321.377 1.619 20 5 DDBDRO Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000091081658 407177056 /nfs/dbraw/zinc/17/70/56/407177056.db2.gz JJCWLFCATOGALW-CYBMUJFWSA-N 1 0 304.354 1.968 20 5 DDBDRO CCC[NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000054266452 407181041 /nfs/dbraw/zinc/18/10/41/407181041.db2.gz YIIQMNJMFBAHRN-UHFFFAOYSA-N 1 0 321.786 1.526 20 5 DDBDRO C[NH+]1CCC(NC(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000054645732 407187941 /nfs/dbraw/zinc/18/79/41/407187941.db2.gz IWQWGADKLJZUNU-UHFFFAOYSA-N 1 0 306.366 1.531 20 5 DDBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)CCn1nc(C)c([N+](=O)[O-])c1C ZINC000102486967 407323552 /nfs/dbraw/zinc/32/35/52/407323552.db2.gz IDMTWLYJRKIHBE-ZDUSSCGKSA-N 1 0 323.397 1.399 20 5 DDBDRO C[C@@H]1C[C@@H](N(C)C(=O)COc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000124497760 407360385 /nfs/dbraw/zinc/36/03/85/407360385.db2.gz ANOYWGXQRWWUGK-OCCSQVGLSA-N 1 0 321.377 1.915 20 5 DDBDRO CN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@@H]1CCOC1 ZINC000106884387 407364799 /nfs/dbraw/zinc/36/47/99/407364799.db2.gz REPNAHPUHKSUBA-GFCCVEGCSA-N 1 0 304.306 1.866 20 5 DDBDRO C[N@H+](CCn1cccn1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000111283784 407406198 /nfs/dbraw/zinc/40/61/98/407406198.db2.gz MEZJVBQOJXDIDU-CQSZACIVSA-N 1 0 320.349 1.163 20 5 DDBDRO CC[C@@H](C)[N@H+](C)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000185766172 407497334 /nfs/dbraw/zinc/49/73/34/407497334.db2.gz DSLONXRDFORPEW-LLVKDONJSA-N 1 0 315.395 1.603 20 5 DDBDRO C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000185774876 407499583 /nfs/dbraw/zinc/49/95/83/407499583.db2.gz SLAFDLLXCGXMLA-LLVKDONJSA-N 1 0 313.379 1.215 20 5 DDBDRO C[NH+](C)[C@@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])c1ccsc1 ZINC000270978322 407449223 /nfs/dbraw/zinc/44/92/23/407449223.db2.gz ILIGBWHJUZJLIU-VIFPVBQESA-N 1 0 309.351 1.412 20 5 DDBDRO C[N@@H+]1CCC[C@H]1CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000170639936 407459458 /nfs/dbraw/zinc/45/94/58/407459458.db2.gz VNZGNYLUFWGRDA-NSHDSACASA-N 1 0 304.350 1.986 20 5 DDBDRO CC[N@H+](CC(=O)NCc1cc([N+](=O)[O-])ccc1OC)C1CC1 ZINC000151607644 407461841 /nfs/dbraw/zinc/46/18/41/407461841.db2.gz KUGKOFDVTOAAAR-UHFFFAOYSA-N 1 0 307.350 1.704 20 5 DDBDRO COC[C@H]1CC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000265807059 407463425 /nfs/dbraw/zinc/46/34/25/407463425.db2.gz PFCITIFFAKMQBN-LBPRGKRZSA-N 1 0 319.361 1.452 20 5 DDBDRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000261663411 407573190 /nfs/dbraw/zinc/57/31/90/407573190.db2.gz GJTOZUCEANNSOR-WDEREUQCSA-N 1 0 318.377 1.978 20 5 DDBDRO C[NH2+][C@@H]1CCCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000261771979 407610599 /nfs/dbraw/zinc/61/05/99/407610599.db2.gz ODJRTCRJLCWTDT-CYBMUJFWSA-N 1 0 318.377 1.168 20 5 DDBDRO O=C(NCC1=CC[NH2+]CC1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000186335487 407641267 /nfs/dbraw/zinc/64/12/67/407641267.db2.gz DSJKNCDVPIZFCI-UHFFFAOYSA-N 1 0 301.306 1.121 20 5 DDBDRO CC(C)C[C@H]1OCCC[C@H]1[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000186343775 407642599 /nfs/dbraw/zinc/64/25/99/407642599.db2.gz LTYJEVKYQKNHIN-HUUCEWRRSA-N 1 0 323.393 1.940 20 5 DDBDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000115436478 407679619 /nfs/dbraw/zinc/67/96/19/407679619.db2.gz MPUZIVRAPKGMKM-CYBMUJFWSA-N 1 0 321.377 1.774 20 5 DDBDRO CC(C)OCC[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000267002909 407710081 /nfs/dbraw/zinc/71/00/81/407710081.db2.gz OMYQYRMMKCBOCE-UHFFFAOYSA-N 1 0 324.381 1.542 20 5 DDBDRO CN(C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)[C@@H]1CC[NH2+]C1 ZINC000262013199 407711056 /nfs/dbraw/zinc/71/10/56/407711056.db2.gz CEWMFJRYDBROEF-LLVKDONJSA-N 1 0 315.333 1.214 20 5 DDBDRO [NH3+]C[C@@H]1CCC[C@H]1NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000130951776 407713673 /nfs/dbraw/zinc/71/36/73/407713673.db2.gz HQIAUMUAXIDYDT-WCQYABFASA-N 1 0 313.379 1.142 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)CC[N@H+](C)C1CC1 ZINC000186735233 407762812 /nfs/dbraw/zinc/76/28/12/407762812.db2.gz OQNMNVPVMCWNLU-UHFFFAOYSA-N 1 0 320.393 1.868 20 5 DDBDRO O=C(CN1CCc2c(cccc2[N+](=O)[O-])C1)NC1CCOCC1 ZINC000153335102 407804160 /nfs/dbraw/zinc/80/41/60/407804160.db2.gz HECSCOXEOIXXNT-UHFFFAOYSA-N 1 0 319.361 1.248 20 5 DDBDRO CO[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2C)[C@@H](C[NH3+])C1 ZINC000262372454 407814239 /nfs/dbraw/zinc/81/42/39/407814239.db2.gz XOSVRJKKIYQGSO-OLZOCXBDSA-N 1 0 307.350 1.482 20 5 DDBDRO CO[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)[C@H](C[NH3+])C1 ZINC000262366955 407814319 /nfs/dbraw/zinc/81/43/19/407814319.db2.gz XBAZHSDFASEXEN-QWRGUYRKSA-N 1 0 311.313 1.312 20 5 DDBDRO Cc1nn(C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000179858446 407837630 /nfs/dbraw/zinc/83/76/30/407837630.db2.gz IFLRJGCOLSEDER-HNNXBMFYSA-N 1 0 316.361 1.519 20 5 DDBDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C1 ZINC000272317950 407864923 /nfs/dbraw/zinc/86/49/23/407864923.db2.gz STESWZNKOXCDEY-QWRGUYRKSA-N 1 0 306.366 1.470 20 5 DDBDRO CCOc1ccc(C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)cc1[N+](=O)[O-] ZINC000153659251 407869688 /nfs/dbraw/zinc/86/96/88/407869688.db2.gz YXVLOXBYELDIFB-GHMZBOCLSA-N 1 0 307.350 1.816 20 5 DDBDRO C[C@@H]1CN(C(=O)CCOc2ccccc2[N+](=O)[O-])C[C@@H](C)[NH2+]1 ZINC000153798053 407905347 /nfs/dbraw/zinc/90/53/47/407905347.db2.gz LWARUEVJTSZSLC-VXGBXAGGSA-N 1 0 307.350 1.573 20 5 DDBDRO C[NH+](C)CC(C)(C)CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000180006778 407844525 /nfs/dbraw/zinc/84/45/25/407844525.db2.gz RTNWLPJTCFUBQI-UHFFFAOYSA-N 1 0 323.349 1.641 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)c1 ZINC000268213356 407953024 /nfs/dbraw/zinc/95/30/24/407953024.db2.gz AZOSRUCRJISFRS-GXTWGEPZSA-N 1 0 320.349 1.972 20 5 DDBDRO CCOc1cccc(N2CCC[N@H+](CCO)CC2)c1[N+](=O)[O-] ZINC000181213381 407968837 /nfs/dbraw/zinc/96/88/37/407968837.db2.gz ODWRHMHBTQNTAA-UHFFFAOYSA-N 1 0 309.366 1.498 20 5 DDBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C[C@@H]1CCCC[C@H]1O ZINC000272451898 407929366 /nfs/dbraw/zinc/92/93/66/407929366.db2.gz CHDQCEJBJNBSJL-GXTWGEPZSA-N 1 0 309.366 1.239 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[NH2+][C@@H](C)[C@@H]1C ZINC000262809453 407942593 /nfs/dbraw/zinc/94/25/93/407942593.db2.gz XSXFPVSNOJEBLT-QWRGUYRKSA-N 1 0 313.379 1.274 20 5 DDBDRO Cc1ccc(S(=O)(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)cc1[N+](=O)[O-] ZINC000262810738 407942820 /nfs/dbraw/zinc/94/28/20/407942820.db2.gz XZXNRAVCPKCHQE-CMPLNLGQSA-N 1 0 313.379 1.180 20 5 DDBDRO CCOC(=O)c1ccnc(N(C)[C@@H]2CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000175047675 408039300 /nfs/dbraw/zinc/03/93/00/408039300.db2.gz UFURRJWMHSDGLX-LLVKDONJSA-N 1 0 322.365 1.697 20 5 DDBDRO CCSCC[C@H](C)[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000245449879 407987500 /nfs/dbraw/zinc/98/75/00/407987500.db2.gz OCPWBMFZPPXVSR-WCQYABFASA-N 1 0 316.427 1.616 20 5 DDBDRO CC[C@]1(CO)CCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000189655498 408070587 /nfs/dbraw/zinc/07/05/87/408070587.db2.gz XXJNXROHGCNSKT-GOEBONIOSA-N 1 0 324.377 1.571 20 5 DDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC[C@@H]([NH+](C)C)C1 ZINC000245826290 408076370 /nfs/dbraw/zinc/07/63/70/408076370.db2.gz YYQLHLJZNNUQFA-IUODEOHRSA-N 1 0 320.393 1.948 20 5 DDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@](C)(O)C1 ZINC000245916108 408098354 /nfs/dbraw/zinc/09/83/54/408098354.db2.gz NBZYONFCINZDKK-ABAIWWIYSA-N 1 0 307.350 1.769 20 5 DDBDRO C[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])CC1(O)CCCC1 ZINC000182242286 408104188 /nfs/dbraw/zinc/10/41/88/408104188.db2.gz MXDVAMIGJIGSGO-ZDUSSCGKSA-N 1 0 324.377 1.571 20 5 DDBDRO COC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000136635594 408117409 /nfs/dbraw/zinc/11/74/09/408117409.db2.gz VXHBWNXNDLSSGK-HZMBPMFUSA-N 1 0 307.350 1.936 20 5 DDBDRO COc1cc(C[NH2+]CC2(CCO)CC2)c([N+](=O)[O-])cc1OC ZINC000190003556 408144754 /nfs/dbraw/zinc/14/47/54/408144754.db2.gz PWSXXIYGODTBON-UHFFFAOYSA-N 1 0 310.350 1.864 20 5 DDBDRO C[C@@H]1CN(C(C)(C)CNc2c([N+](=O)[O-])ncn2C)C[C@@H](C)O1 ZINC000140404439 408176761 /nfs/dbraw/zinc/17/67/61/408176761.db2.gz XYBBPFQOUZZIHP-GHMZBOCLSA-N 1 0 311.386 1.628 20 5 DDBDRO C[C@H]([NH3+])[C@H](C)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000182846141 408264349 /nfs/dbraw/zinc/26/43/49/408264349.db2.gz FBKIEEZEYRZMSW-RYUDHWBXSA-N 1 0 306.366 1.227 20 5 DDBDRO CCCCNC(=O)[C@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176221418 408314898 /nfs/dbraw/zinc/31/48/98/408314898.db2.gz CHWIDDVXVJJSMS-ZDUSSCGKSA-N 1 0 323.397 1.420 20 5 DDBDRO CCC[NH+](CCC)CCCNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000263928875 408318944 /nfs/dbraw/zinc/31/89/44/408318944.db2.gz GNUSNVWMTQQQJQ-UHFFFAOYSA-N 1 0 311.386 1.420 20 5 DDBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC2(CC1)NC(=O)NC2=O ZINC000263954676 408325849 /nfs/dbraw/zinc/32/58/49/408325849.db2.gz FYHSNOXEJKTKFC-JTQLQIEISA-N 1 0 318.333 1.330 20 5 DDBDRO Cc1nn(CCC(=O)NCC[N@@H+](C)C2CC2)c(C)c1[N+](=O)[O-] ZINC000263842596 408282699 /nfs/dbraw/zinc/28/26/99/408282699.db2.gz STVWGOXXIQWUBW-UHFFFAOYSA-N 1 0 309.370 1.009 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000171452840 162218607 /nfs/dbraw/zinc/21/86/07/162218607.db2.gz UDKNOEBOLUVLOP-GFCCVEGCSA-N 1 0 319.361 1.914 20 5 DDBDRO O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171584554 162225977 /nfs/dbraw/zinc/22/59/77/162225977.db2.gz TYDHVVOLCGIPTR-LFAOLKIESA-N 1 0 301.346 1.915 20 5 DDBDRO COc1cc[nH+]c(N2CCN(c3ccc([N+](=O)[O-])cn3)CC2)c1 ZINC000264108422 408369504 /nfs/dbraw/zinc/36/95/04/408369504.db2.gz MGGMLSXZDCVDEY-UHFFFAOYSA-N 1 0 315.333 1.720 20 5 DDBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000176858903 408460536 /nfs/dbraw/zinc/46/05/36/408460536.db2.gz MVKRULFYDZHQGY-CYBMUJFWSA-N 1 0 323.393 1.990 20 5 DDBDRO CC[C@@H]1CN(Cc2csc([N+](=O)[O-])c2)CC[N@@H+]1C[C@H](C)O ZINC000247392343 408460708 /nfs/dbraw/zinc/46/07/08/408460708.db2.gz XGBSDKIGFSONRA-WCQYABFASA-N 1 0 313.423 1.933 20 5 DDBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000176969490 408487083 /nfs/dbraw/zinc/48/70/83/408487083.db2.gz VRQWHMARDLKRGF-LLVKDONJSA-N 1 0 306.366 1.591 20 5 DDBDRO C[C@@H]1C[C@@H](NC(=O)COc2ccccc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000177198731 408550496 /nfs/dbraw/zinc/55/04/96/408550496.db2.gz SKEKEJPYNHMTPE-VXGBXAGGSA-N 1 0 319.361 1.715 20 5 DDBDRO [NH3+][C@@H]1CC[C@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])s3)C[C@H]12 ZINC000248594448 408592422 /nfs/dbraw/zinc/59/24/22/408592422.db2.gz HUWPRGGXOIASEA-XHNCKOQMSA-N 1 0 317.392 1.014 20 5 DDBDRO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000248620974 408599938 /nfs/dbraw/zinc/59/99/38/408599938.db2.gz MXOZXUWPJWJYAP-BXKDBHETSA-N 1 0 307.354 1.031 20 5 DDBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3ccc(N)c([N+](=O)[O-])c3)CC[C@H]21 ZINC000248067806 408532535 /nfs/dbraw/zinc/53/25/35/408532535.db2.gz ZXCFQFNQFWDPJU-TZMCWYRMSA-N 1 0 318.377 1.733 20 5 DDBDRO COCC[N@@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2C)C1 ZINC000264565780 408536498 /nfs/dbraw/zinc/53/64/98/408536498.db2.gz RJXAEXUGQGTIMW-GFCCVEGCSA-N 1 0 307.350 1.354 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000265354804 408623222 /nfs/dbraw/zinc/62/32/22/408623222.db2.gz CSOLSIFCWREYFP-UHFFFAOYSA-N 1 0 320.349 1.052 20 5 DDBDRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000270763343 408673218 /nfs/dbraw/zinc/67/32/18/408673218.db2.gz NHDQNSUDHZQBON-NSHDSACASA-N 1 0 323.397 1.569 20 5 DDBDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000177529610 408646446 /nfs/dbraw/zinc/64/64/46/408646446.db2.gz MFGGKAFBXJUWRE-OLZOCXBDSA-N 1 0 320.393 1.996 20 5 DDBDRO CC(C)[C@H]([NH3+])C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000161977417 408658415 /nfs/dbraw/zinc/65/84/15/408658415.db2.gz BUGFWOVZUSTSRK-HNNXBMFYSA-N 1 0 321.377 1.948 20 5 DDBDRO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)[NH+](C)C ZINC000270754988 408666972 /nfs/dbraw/zinc/66/69/72/408666972.db2.gz BLQLBDIPLIMJJU-SNVBAGLBSA-N 1 0 302.334 1.823 20 5 DDBDRO CC[C@H]([NH3+])C(=O)NCCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000177946027 408742885 /nfs/dbraw/zinc/74/28/85/408742885.db2.gz RZAHGSXIMQQIOA-JTQLQIEISA-N 1 0 311.338 1.008 20 5 DDBDRO Cn1cc([N+](=O)[O-])c(C(=O)N2CCC([NH+]3CCCCC3)CC2)n1 ZINC000270824696 408697544 /nfs/dbraw/zinc/69/75/44/408697544.db2.gz RYKJVAUIPNBQIW-UHFFFAOYSA-N 1 0 321.381 1.419 20 5 DDBDRO CC[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)N1CCOCC1 ZINC000165010694 408805706 /nfs/dbraw/zinc/80/57/06/408805706.db2.gz ZERSQGHYVZLELA-IUODEOHRSA-N 1 0 321.377 1.883 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@](C)(O)C1 ZINC000177973305 408747392 /nfs/dbraw/zinc/74/73/92/408747392.db2.gz XSHDEPCOTZIPCC-OAHLLOKOSA-N 1 0 323.349 1.389 20 5 DDBDRO [NH3+][C@H]1CC[C@H]2CN(C(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)C[C@H]21 ZINC000185130825 408763468 /nfs/dbraw/zinc/76/34/68/408763468.db2.gz NBERQTNIEKNCIX-AXTRIDKLSA-N 1 0 315.333 1.280 20 5 DDBDRO Cc1nn(C)c(C(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000249893491 408772515 /nfs/dbraw/zinc/77/25/15/408772515.db2.gz UMQOGJQANOALJJ-GHMZBOCLSA-N 1 0 323.397 1.487 20 5 DDBDRO Cc1nn(C)c(C(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000249893497 408772811 /nfs/dbraw/zinc/77/28/11/408772811.db2.gz UMQOGJQANOALJJ-MNOVXSKESA-N 1 0 323.397 1.487 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000250945566 408779848 /nfs/dbraw/zinc/77/98/48/408779848.db2.gz BPBNUZPXEYORQG-UONOGXRCSA-N 1 0 319.361 1.496 20 5 DDBDRO CCOCCOCC[N@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000276286604 408829083 /nfs/dbraw/zinc/82/90/83/408829083.db2.gz SJYWHWKXDLEOQW-OAHLLOKOSA-N 1 0 312.366 1.613 20 5 DDBDRO COC[C@H](CO)[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000280969526 408867152 /nfs/dbraw/zinc/86/71/52/408867152.db2.gz LFUBGLYCWDGWRW-SNPRPXQTSA-N 1 0 308.378 1.903 20 5 DDBDRO COCCN1CCCN(CCc2ccc([N+](=O)[O-])cc2)CC1=O ZINC000190784557 163158416 /nfs/dbraw/zinc/15/84/16/163158416.db2.gz CXFUVDWHJJTQBD-UHFFFAOYSA-N 1 0 321.377 1.318 20 5 DDBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H](C)[C@H](CO)C1 ZINC000190908379 163165119 /nfs/dbraw/zinc/16/51/19/163165119.db2.gz DKEPZBCAXYRCFU-WOPDTQHZSA-N 1 0 307.350 1.482 20 5 DDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCCN(C)CC1 ZINC000192850308 163239988 /nfs/dbraw/zinc/23/99/88/163239988.db2.gz SIZREYNOWLVWSR-UHFFFAOYSA-N 1 0 313.379 1.229 20 5 DDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCc3n[nH]cc3C2)c([N+](=O)[O-])c1 ZINC000194473369 163284158 /nfs/dbraw/zinc/28/41/58/163284158.db2.gz YUWPMZQNPFIRLY-LLVKDONJSA-N 1 0 317.305 1.873 20 5 DDBDRO C[C@H]1C[N@H+](CCCNC(=O)c2cccc([N+](=O)[O-])c2)CCCO1 ZINC000277396225 408933164 /nfs/dbraw/zinc/93/31/64/408933164.db2.gz DQDUQLOINNONDA-ZDUSSCGKSA-N 1 0 321.377 1.826 20 5 DDBDRO COc1ccc(NC(=O)C[NH2+][C@H]2CCOC[C@H]2C)c([N+](=O)[O-])c1 ZINC000277498268 408952588 /nfs/dbraw/zinc/95/25/88/408952588.db2.gz PGVOFMDADFKFJZ-PWSUYJOCSA-N 1 0 323.349 1.557 20 5 DDBDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)COc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000292149112 408989732 /nfs/dbraw/zinc/98/97/32/408989732.db2.gz IKAJFCQOXIRWOH-MRXNPFEDSA-N 1 0 319.361 1.528 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@H]2CCO[C@H](C(F)(F)F)C2)c1 ZINC000287311944 409017528 /nfs/dbraw/zinc/01/75/28/409017528.db2.gz CYYSMZCOMLRFQY-WPRPVWTQSA-N 1 0 308.260 1.491 20 5 DDBDRO COCCO[C@H]1C[C@H](CO)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000278037455 409055540 /nfs/dbraw/zinc/05/55/40/409055540.db2.gz BZOGZTXUHWQUBM-HOCLYGCPSA-N 1 0 324.377 1.441 20 5 DDBDRO O=C(COc1ccccc1[N+](=O)[O-])N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000293507964 409127413 /nfs/dbraw/zinc/12/74/13/409127413.db2.gz SVSYDSKKCRIDKS-NEPJUHHUSA-N 1 0 305.334 1.184 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]Cc2cccc(O)c2)c1 ZINC000571277576 304449472 /nfs/dbraw/zinc/44/94/72/304449472.db2.gz MANVRLMTCBTMDN-HNNXBMFYSA-N 1 0 318.329 1.830 20 5 DDBDRO COC[C@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000279155850 409160203 /nfs/dbraw/zinc/16/02/03/409160203.db2.gz ZHMWAYVNCCININ-JSGCOSHPSA-N 1 0 310.350 1.757 20 5 DDBDRO Cc1c(C[N@@H+]2CCC[C@H](c3nc(=O)[nH][nH]3)C2)cccc1[N+](=O)[O-] ZINC000289466458 409278177 /nfs/dbraw/zinc/27/81/77/409278177.db2.gz QPLPLBSECSBTNL-LBPRGKRZSA-N 1 0 317.349 1.694 20 5 DDBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@H](CC(N)=O)c1ccccc1 ZINC000280291608 409286377 /nfs/dbraw/zinc/28/63/77/409286377.db2.gz FFEQEONMFCTILK-CQSZACIVSA-N 1 0 317.349 1.340 20 5 DDBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@@H](CO)[C@@H]1CCOC1 ZINC000280326217 409292194 /nfs/dbraw/zinc/29/21/94/409292194.db2.gz PWLVSDZUFARKHE-SZWGIHMLSA-N 1 0 306.362 1.843 20 5 DDBDRO CC(C)[C@@](C)([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])C(N)=O ZINC000289423869 409268289 /nfs/dbraw/zinc/26/82/89/409268289.db2.gz UYKGWZXTLTUEFT-CQSZACIVSA-N 1 0 308.338 1.023 20 5 DDBDRO CCC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000285449895 409448588 /nfs/dbraw/zinc/44/85/88/409448588.db2.gz ZMDAXFCIGKAQGO-JQWIXIFHSA-N 1 0 306.366 1.839 20 5 DDBDRO CC1CC[NH+](CCNc2nccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000290589557 409453310 /nfs/dbraw/zinc/45/33/10/409453310.db2.gz XDUUTWFDXWQANI-UHFFFAOYSA-N 1 0 307.354 1.233 20 5 DDBDRO CC(C)[C@@H]([NH3+])CCN(C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000317235089 164026888 /nfs/dbraw/zinc/02/68/88/164026888.db2.gz LPHZAZLYIZTORW-LBPRGKRZSA-N 1 0 308.382 1.839 20 5 DDBDRO CCc1nn(C)c(NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c1[N+](=O)[O-] ZINC000317845295 164029251 /nfs/dbraw/zinc/02/92/51/164029251.db2.gz YAJXIMXGAIDACF-WDEREUQCSA-N 1 0 309.370 1.166 20 5 DDBDRO Cc1cc(N2CC[NH+](CC(C)(C)O)CC2)c(F)cc1[N+](=O)[O-] ZINC000320659734 164041793 /nfs/dbraw/zinc/04/17/93/164041793.db2.gz XRLCTJBBSITQSP-UHFFFAOYSA-N 1 0 311.357 1.935 20 5 DDBDRO COc1cc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000347017735 164097353 /nfs/dbraw/zinc/09/73/53/164097353.db2.gz UVAAOQWECWAIQV-CYBMUJFWSA-N 1 0 319.361 1.912 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)n1 ZINC000331520391 409595391 /nfs/dbraw/zinc/59/53/91/409595391.db2.gz FTFHCPNPHRYGIW-RYUDHWBXSA-N 1 0 321.381 1.510 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000342471209 409657963 /nfs/dbraw/zinc/65/79/63/409657963.db2.gz WUPHNLZKBSKSRV-IINYFYTJSA-N 1 0 319.361 1.816 20 5 DDBDRO C[C@H](NC(=O)[C@@H]1C[N@@H+]2CCN1CCC2)c1ccccc1[N+](=O)[O-] ZINC000342475253 409663148 /nfs/dbraw/zinc/66/31/48/409663148.db2.gz RNUSOYXKEITLHJ-WFASDCNBSA-N 1 0 318.377 1.162 20 5 DDBDRO C[C@@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000356867667 409677656 /nfs/dbraw/zinc/67/76/56/409677656.db2.gz MUOZBMXCIJRVAA-VXGBXAGGSA-N 1 0 307.350 1.938 20 5 DDBDRO COc1cc(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)ccc1[N+](=O)[O-] ZINC000307830168 409779745 /nfs/dbraw/zinc/77/97/45/409779745.db2.gz ZELVBLQXMRPVHC-JTQLQIEISA-N 1 0 321.255 1.613 20 5 DDBDRO CC(C)(C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1)n1cc([N+](=O)[O-])cn1 ZINC000342703418 409828067 /nfs/dbraw/zinc/82/80/67/409828067.db2.gz DTUNAMBWNDSJOS-UHTWSYAYSA-N 1 0 321.381 1.112 20 5 DDBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2c([N+](=O)[O-])c(C)nn2C)C[C@H]1C ZINC000354405384 409833319 /nfs/dbraw/zinc/83/33/19/409833319.db2.gz UQPXDKDFALEWRQ-ZYHUDNBSSA-N 1 0 323.397 1.582 20 5 DDBDRO COCC[N@@H+]1CC[C@H](Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000297169121 409836223 /nfs/dbraw/zinc/83/62/23/409836223.db2.gz PKYXVPFMHMMACH-JTQLQIEISA-N 1 0 305.338 1.604 20 5 DDBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Cn2ccc([N+](=O)[O-])n2)C[C@@H]1C ZINC000354379685 409809935 /nfs/dbraw/zinc/80/99/35/409809935.db2.gz CHBINFKHNOOXFL-NWDGAFQWSA-N 1 0 309.370 1.123 20 5 DDBDRO COC[C@]1(CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CCC[NH2+]1 ZINC000323707567 409920594 /nfs/dbraw/zinc/92/05/94/409920594.db2.gz HOXLITKQIATYCT-CDVVCGDMSA-N 1 0 319.361 1.493 20 5 DDBDRO O=[N+]([O-])c1ccc2oc(CN3CC[C@@H]4C[NH2+]C[C@@H]4C3)nc2c1 ZINC000357092307 409866249 /nfs/dbraw/zinc/86/62/49/409866249.db2.gz ULSOGNAPAMZSAT-GHMZBOCLSA-N 1 0 302.334 1.777 20 5 DDBDRO C[C@H](CNc1nccc(C(N)=O)c1[N+](=O)[O-])[N@@H+]1CCCC[C@@H]1C ZINC000357308685 409967649 /nfs/dbraw/zinc/96/76/49/409967649.db2.gz WQTOKLLVZUTBRL-WDEREUQCSA-N 1 0 321.381 1.764 20 5 DDBDRO CC[N@@H+]1CC[C@H]2OCCN(Cc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000339395814 410157993 /nfs/dbraw/zinc/15/79/93/410157993.db2.gz LYMRGMPUKVYWSK-HZPDHXFCSA-N 1 0 305.378 1.890 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)NC[C@@H](C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000298383059 410206875 /nfs/dbraw/zinc/20/68/75/410206875.db2.gz ZCFNMJIDSFQUBO-MRVPVSSYSA-N 1 0 310.310 1.491 20 5 DDBDRO COc1ccc(NC(=O)CC[N@@H+]2C[C@@H](C)[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000351826458 410267020 /nfs/dbraw/zinc/26/70/20/410267020.db2.gz KBFVHADWRBKBPM-QMTHXVAHSA-N 1 0 323.349 1.245 20 5 DDBDRO C[C@@H]1CN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@@H]1O ZINC000351779760 410229749 /nfs/dbraw/zinc/22/97/49/410229749.db2.gz KJRSNMHUEZBJHK-SKDRFNHKSA-N 1 0 304.306 1.457 20 5 DDBDRO C[C@@H]([NH3+])[C@@H]1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000351854869 410294474 /nfs/dbraw/zinc/29/44/74/410294474.db2.gz SADPEAIPIWQGCL-ZYHUDNBSSA-N 1 0 317.349 1.814 20 5 DDBDRO C[NH2+]C[C@@H]1CCCN1Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000347032202 410318792 /nfs/dbraw/zinc/31/87/92/410318792.db2.gz ZERORDGCVZGLPZ-LBPRGKRZSA-N 1 0 309.366 1.796 20 5 DDBDRO CC[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CCOCC1 ZINC000343394530 410421771 /nfs/dbraw/zinc/42/17/71/410421771.db2.gz ZYSOKLFMIGBHSC-AWEZNQCLSA-N 1 0 321.377 1.989 20 5 DDBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1COCCO1 ZINC000358230641 410414027 /nfs/dbraw/zinc/41/40/27/410414027.db2.gz YPSTUNXUZNRYJN-BXUZGUMPSA-N 1 0 323.349 1.317 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[N@H+](C)[C@H]2C)c1 ZINC000343511885 410502989 /nfs/dbraw/zinc/50/29/89/410502989.db2.gz JGHXPOMPNDTBTQ-GXFFZTMASA-N 1 0 307.350 1.816 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NCC1CCC(C[NH3+])CC1 ZINC000343672113 410611496 /nfs/dbraw/zinc/61/14/96/410611496.db2.gz PTEADXDXNWCTJW-UHFFFAOYSA-N 1 0 306.366 1.793 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H](C)CC[NH3+])cc1C ZINC000336836575 410635102 /nfs/dbraw/zinc/63/51/02/410635102.db2.gz WYNOHIHQUMOQIO-SNVBAGLBSA-N 1 0 301.368 1.227 20 5 DDBDRO Cc1nn(C)c(N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)c1[N+](=O)[O-] ZINC000301324762 410698273 /nfs/dbraw/zinc/69/82/73/410698273.db2.gz ACWCFPCQNVDJRL-XQQFMLRXSA-N 1 0 305.382 1.557 20 5 DDBDRO C[C@@H]1CC[C@@]2(CC[N@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)C1 ZINC000359555596 410726055 /nfs/dbraw/zinc/72/60/55/410726055.db2.gz KRSMRNGVPDYUGD-BPLDGKMQSA-N 1 0 308.382 1.664 20 5 DDBDRO COc1cc(C[NH2+]C[C@@H](CO)C2CC2)c([N+](=O)[O-])cc1OC ZINC000353078528 410774514 /nfs/dbraw/zinc/77/45/14/410774514.db2.gz HVSYPYHTGJKUGA-LBPRGKRZSA-N 1 0 310.350 1.720 20 5 DDBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000330579883 410794222 /nfs/dbraw/zinc/79/42/22/410794222.db2.gz IIXFFANDUBLSPZ-NWDGAFQWSA-N 1 0 307.350 1.525 20 5 DDBDRO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])n1C)[N@@H+]1CCC[C@H](C)C1 ZINC000330586040 410801873 /nfs/dbraw/zinc/80/18/73/410801873.db2.gz SIRJJKNKNLOYKY-NWDGAFQWSA-N 1 0 308.382 1.784 20 5 DDBDRO C[C@H]1[C@H](NC(=O)NCCc2cccc([N+](=O)[O-])c2)CCC[N@@H+]1C ZINC000343914971 410804318 /nfs/dbraw/zinc/80/43/18/410804318.db2.gz WJUIARQZKPMYLV-SWLSCSKDSA-N 1 0 320.393 1.919 20 5 DDBDRO CN(C(=O)c1ccc([N+](=O)[O-])cc1F)[C@@H]1C[NH+]2CCC1CC2 ZINC000347948306 410809743 /nfs/dbraw/zinc/80/97/43/410809743.db2.gz MFWQQZYRLPNUOG-CQSZACIVSA-N 1 0 307.325 1.900 20 5 DDBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000330599614 410814736 /nfs/dbraw/zinc/81/47/36/410814736.db2.gz ULMZLCIZBONOSL-NWDGAFQWSA-N 1 0 307.350 1.525 20 5 DDBDRO COC(=O)c1cc(N2CC[NH+]3CCC2CC3)cc(C)c1[N+](=O)[O-] ZINC000302763617 410860955 /nfs/dbraw/zinc/86/09/55/410860955.db2.gz KXNKQVMPCCAREU-UHFFFAOYSA-N 1 0 319.361 1.974 20 5 DDBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])nn1C)[N@@H+]1CCC[C@@H](C)C1 ZINC000356150100 410864324 /nfs/dbraw/zinc/86/43/24/410864324.db2.gz HTHWUJYCCXUDRA-MNOVXSKESA-N 1 0 309.370 1.179 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCC2CC[NH+](CCO)CC2)c1 ZINC000340281390 410819844 /nfs/dbraw/zinc/81/98/44/410819844.db2.gz VHEYECMKVZJLAE-UHFFFAOYSA-N 1 0 321.377 1.337 20 5 DDBDRO COc1c(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)cccc1[N+](=O)[O-] ZINC000356203258 410893988 /nfs/dbraw/zinc/89/39/88/410893988.db2.gz LLTGALCDHMZTNG-LLVKDONJSA-N 1 0 307.350 1.770 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](CO)C1CCOCC1 ZINC000359853589 410917453 /nfs/dbraw/zinc/91/74/53/410917453.db2.gz WHHIJMRVAUPCPW-AWEZNQCLSA-N 1 0 310.350 1.481 20 5 DDBDRO CC(C)[NH+](CCN(C)CCn1cc([N+](=O)[O-])ccc1=O)C(C)C ZINC000356389838 411005115 /nfs/dbraw/zinc/00/51/15/411005115.db2.gz PGRLJCLTBHGUIZ-UHFFFAOYSA-N 1 0 324.425 1.807 20 5 DDBDRO COc1ccc(NC(=O)[C@@H](C)N(C)C2CC(O)C2)c([N+](=O)[O-])c1 ZINC000353486021 411022835 /nfs/dbraw/zinc/02/28/35/411022835.db2.gz WDZXCXDZNJVFJL-KPPDAEKUSA-N 1 0 323.349 1.386 20 5 DDBDRO Cc1c(CNC(=O)N2CC[NH+]3CCC2CC3)cccc1[N+](=O)[O-] ZINC000341417082 411044140 /nfs/dbraw/zinc/04/41/40/411044140.db2.gz KGQRRRKJCYWIGN-UHFFFAOYSA-N 1 0 318.377 1.893 20 5 DDBDRO C[NH2+][C@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)C1 ZINC000133045887 196307299 /nfs/dbraw/zinc/30/72/99/196307299.db2.gz WTZXQBARJWNIFA-NSHDSACASA-N 1 0 313.379 1.194 20 5 DDBDRO CNc1nccc(C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)c1[N+](=O)[O-] ZINC000516313077 416721398 /nfs/dbraw/zinc/72/13/98/416721398.db2.gz JLFPRAAGGFUALY-SNVBAGLBSA-N 1 0 319.365 1.412 20 5 DDBDRO CCc1ccc(CC[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000571670984 304478993 /nfs/dbraw/zinc/47/89/93/304478993.db2.gz MKLWQZFYABHHCP-INIZCTEOSA-N 1 0 318.377 1.547 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NCC1([NH3+])CCC1 ZINC000417184966 225237381 /nfs/dbraw/zinc/23/73/81/225237381.db2.gz RMXGHTNVQYHJCA-UHFFFAOYSA-N 1 0 308.338 1.284 20 5 DDBDRO C[C@H](NC(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000417126125 225219490 /nfs/dbraw/zinc/21/94/90/225219490.db2.gz CUILLOBNCOTKEC-YUTCNCBUSA-N 1 0 318.377 1.907 20 5 DDBDRO C[C@H]([NH3+])C1CCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000417238712 225261291 /nfs/dbraw/zinc/26/12/91/225261291.db2.gz YXBBJGRIBKZVML-LBPRGKRZSA-N 1 0 320.393 1.906 20 5 DDBDRO COc1ccc(CNC(=O)N[C@H](C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000417195327 225239857 /nfs/dbraw/zinc/23/98/57/225239857.db2.gz OBBDNWTWOVHDCK-LLVKDONJSA-N 1 0 308.338 1.140 20 5 DDBDRO C[C@H](C[NH3+])CNC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000417720428 225411488 /nfs/dbraw/zinc/41/14/88/225411488.db2.gz ROUWYTBACLNEHZ-GFCCVEGCSA-N 1 0 308.382 1.812 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1CN1CCCN(C(N)=O)CC1 ZINC000373720244 418451321 /nfs/dbraw/zinc/45/13/21/418451321.db2.gz NYTHKCXYGRLARW-UHFFFAOYSA-N 1 0 308.338 1.190 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000373737046 418455215 /nfs/dbraw/zinc/45/52/15/418455215.db2.gz FMRWXBWBEOBUHG-QEJZJMRPSA-N 1 0 303.362 1.989 20 5 DDBDRO C[C@@H]1C[N@H+](C)C[C@@H]1c1nc(-c2ccc(N)c([N+](=O)[O-])c2)no1 ZINC000361027802 418569014 /nfs/dbraw/zinc/56/90/14/418569014.db2.gz ZUFJEMGAWFFTDD-SCZZXKLOSA-N 1 0 303.322 1.892 20 5 DDBDRO Cc1nn(CCC(=O)N2CCCC[C@H]2CC[NH3+])c(C)c1[N+](=O)[O-] ZINC000286042472 418573345 /nfs/dbraw/zinc/57/33/45/418573345.db2.gz KXDYOBCVSRPEFI-ZDUSSCGKSA-N 1 0 323.397 1.528 20 5 DDBDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000194599765 222178752 /nfs/dbraw/zinc/17/87/52/222178752.db2.gz UUVIWUXSZDYOLS-CYBMUJFWSA-N 1 0 321.377 1.744 20 5 DDBDRO COCCO[C@@H]1COCC[C@@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000362507282 300081722 /nfs/dbraw/zinc/08/17/22/300081722.db2.gz DPSHTBXLNPJEAJ-NWDGAFQWSA-N 1 0 316.379 1.566 20 5 DDBDRO C[C@H]1CCC[N@@H+]1C1CCN(C(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC000367563094 418611384 /nfs/dbraw/zinc/61/13/84/418611384.db2.gz KEGFLVVEXWMUCH-NSHDSACASA-N 1 0 321.381 1.417 20 5 DDBDRO Cc1cnn(C)c1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000368036995 418676987 /nfs/dbraw/zinc/67/69/87/418676987.db2.gz LBYSRRXWBGGKCC-UHFFFAOYSA-N 1 0 304.354 1.670 20 5 DDBDRO COc1ccc(C[N@H+](CCO)[C@@H]2CCO[C@@H]2C)cc1[N+](=O)[O-] ZINC000361563857 418678808 /nfs/dbraw/zinc/67/88/08/418678808.db2.gz LMIMPQYUSNQCTM-DGCLKSJQSA-N 1 0 310.350 1.575 20 5 DDBDRO C[N@@H+]1CCCC12CCN(C(=O)c1ccc([N+](=O)[O-])cn1)CC2 ZINC000368190756 418700700 /nfs/dbraw/zinc/70/07/00/418700700.db2.gz WLXGYWONQFVBCC-UHFFFAOYSA-N 1 0 304.350 1.690 20 5 DDBDRO Cn1c(C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000362054580 418746015 /nfs/dbraw/zinc/74/60/15/418746015.db2.gz DLPUGEMOZJGPGX-ZDUSSCGKSA-N 1 0 320.393 1.928 20 5 DDBDRO CC1CC[NH+](C2CCC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CC1 ZINC000370938556 418751813 /nfs/dbraw/zinc/75/18/13/418751813.db2.gz BFUBWUIXPRNQAS-NEXFUWMNSA-N 1 0 309.410 1.811 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1CN1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000371299475 418776955 /nfs/dbraw/zinc/77/69/55/418776955.db2.gz HFRMQDFDMVICMI-YRGRVCCFSA-N 1 0 323.397 1.012 20 5 DDBDRO CC(C)(NC(=O)[C@@H]1C[C@]12CC[NH2+]C2)c1ccc([N+](=O)[O-])cc1 ZINC000372436313 418870073 /nfs/dbraw/zinc/87/00/73/418870073.db2.gz IHMOVYYHCIXQJU-BBRMVZONSA-N 1 0 303.362 1.946 20 5 DDBDRO CCCc1n[nH]c(C(=O)N2[C@@H]3CC[C@H]2C[C@H]([NH3+])C3)c1[N+](=O)[O-] ZINC000372497088 418877941 /nfs/dbraw/zinc/87/79/41/418877941.db2.gz OLBHUZGBJYGCOS-OWUUHHOZSA-N 1 0 307.354 1.365 20 5 DDBDRO O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]1C[C@@H]1[N+](=O)[O-] ZINC000365587280 418878878 /nfs/dbraw/zinc/87/88/78/418878878.db2.gz KLXZKYVHNKTIBK-JYJNAYRXSA-N 1 0 317.389 1.680 20 5 DDBDRO Cn1ccnc1[C@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000365649780 418888888 /nfs/dbraw/zinc/88/88/88/418888888.db2.gz PKJXJYSQFHYCOI-LBPRGKRZSA-N 1 0 304.354 1.404 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)n1 ZINC000424073530 228224932 /nfs/dbraw/zinc/22/49/32/228224932.db2.gz MPISHBXUJXWGFG-AXFHLTTASA-N 1 0 309.370 1.257 20 5 DDBDRO C[C@H]1CCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000417931203 419396304 /nfs/dbraw/zinc/39/63/04/419396304.db2.gz BRJHBUQXONCRQT-WFASDCNBSA-N 1 0 320.393 1.906 20 5 DDBDRO [NH3+][C@H]1CCC[C@@H](CNC(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000417937804 419401200 /nfs/dbraw/zinc/40/12/00/419401200.db2.gz IZHATBSEHHLPEP-KGLIPLIRSA-N 1 0 320.393 1.954 20 5 DDBDRO [NH3+]C1(CNC(=O)NCCn2cc([N+](=O)[O-])cn2)CCCCCC1 ZINC000417907746 419382621 /nfs/dbraw/zinc/38/26/21/419382621.db2.gz HLNKKFROZLTRGA-UHFFFAOYSA-N 1 0 324.385 1.142 20 5 DDBDRO O=C(C[N@H+]1CCC[C@@H]1CCO)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000426257555 419421197 /nfs/dbraw/zinc/42/11/97/419421197.db2.gz QCADBUBMOBOXEN-CYBMUJFWSA-N 1 0 319.361 1.331 20 5 DDBDRO C[NH2+][C@H]1CCCN(C(=O)NCc2cccc([N+](=O)[O-])c2C)C1 ZINC000418075837 419514626 /nfs/dbraw/zinc/51/46/26/419514626.db2.gz FRJMTOJYSVJYGO-ZDUSSCGKSA-N 1 0 306.366 1.797 20 5 DDBDRO O=[N+]([O-])c1cccc2c(N3CCC([NH2+]CCO)CC3)ccnc21 ZINC000432335449 229095961 /nfs/dbraw/zinc/09/59/61/229095961.db2.gz MLQWCWKFFHKHRR-UHFFFAOYSA-N 1 0 316.361 1.694 20 5 DDBDRO Cn1cc(CN2CC[NH2+]CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000435386661 229380795 /nfs/dbraw/zinc/38/07/95/229380795.db2.gz UTDRMVPWTIIPQS-UHFFFAOYSA-N 1 0 301.350 1.401 20 5 DDBDRO [NH3+]C[C@H]1CC[C@H](NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000418767588 419973505 /nfs/dbraw/zinc/97/35/05/419973505.db2.gz ODEBOIRZUCNIIN-FZMZJTMJSA-N 1 0 318.377 1.790 20 5 DDBDRO [NH3+]C1(CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000415275414 420004926 /nfs/dbraw/zinc/00/49/26/420004926.db2.gz BAWYRCJGDXJHNT-UHFFFAOYSA-N 1 0 320.349 1.311 20 5 DDBDRO COCCNCC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000423326010 420013416 /nfs/dbraw/zinc/01/34/16/420013416.db2.gz IWSCJUDQULLFTD-QWHCGFSZSA-N 1 0 311.386 1.101 20 5 DDBDRO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000429766487 420045463 /nfs/dbraw/zinc/04/54/63/420045463.db2.gz YRPGZOUFRDRJCX-KBPBESRZSA-N 1 0 307.350 1.478 20 5 DDBDRO [NH3+]C1CC[NH+](CCCC(=O)Nc2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000423722492 420142003 /nfs/dbraw/zinc/14/20/03/420142003.db2.gz GDJFZMLFWAPCGJ-UHFFFAOYSA-N 1 0 322.365 1.442 20 5 DDBDRO [NH3+]CC[C@H](NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1)C(F)F ZINC000415635909 420131115 /nfs/dbraw/zinc/13/11/15/420131115.db2.gz VYWAZTBGDCPXGQ-VIFPVBQESA-N 1 0 306.244 1.838 20 5 DDBDRO CC[NH2+][C@H](C)CNC(=O)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000415657181 420138133 /nfs/dbraw/zinc/13/81/33/420138133.db2.gz NBSPFGXUKSIGFR-SNVBAGLBSA-N 1 0 322.365 1.264 20 5 DDBDRO C[C@@H]1CC[NH2+][C@@H](C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000423718607 420141004 /nfs/dbraw/zinc/14/10/04/420141004.db2.gz CXONXMCEQWOESY-PRHODGIISA-N 1 0 303.322 1.798 20 5 DDBDRO COC(=O)c1cc(C(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)cc([N+](=O)[O-])c1 ZINC000423534936 420074482 /nfs/dbraw/zinc/07/44/82/420074482.db2.gz WTZKJVXKJPVCPJ-NXEZZACHSA-N 1 0 321.333 1.191 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000423543775 420077972 /nfs/dbraw/zinc/07/79/72/420077972.db2.gz CALVDBOCHWOSPX-MRXNPFEDSA-N 1 0 319.361 1.819 20 5 DDBDRO COC(=O)c1cc(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000423574158 420085284 /nfs/dbraw/zinc/08/52/84/420085284.db2.gz WYHIKIHGLNVRCP-TVQRCGJNSA-N 1 0 321.333 1.109 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000415488778 420087064 /nfs/dbraw/zinc/08/70/64/420087064.db2.gz VXXFSNDSEZBBNF-NSHDSACASA-N 1 0 308.338 1.403 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[NH2+]C[C@@H]1C ZINC000420300671 420191062 /nfs/dbraw/zinc/19/10/62/420191062.db2.gz VCNYQJWCLYYVNW-NSHDSACASA-N 1 0 322.365 1.226 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[NH2+][C@H](C)C1 ZINC000420329932 420214200 /nfs/dbraw/zinc/21/42/00/420214200.db2.gz AMCZMZHOSBHCBP-LLVKDONJSA-N 1 0 322.365 1.226 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@](C)(C[NH3+])C(C)C ZINC000430574695 420144314 /nfs/dbraw/zinc/14/43/14/420144314.db2.gz JEJJCOSEFMCUJN-OAHLLOKOSA-N 1 0 324.381 1.505 20 5 DDBDRO C[NH2+]C[C@H]1CCCN1c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000420217861 420154915 /nfs/dbraw/zinc/15/49/15/420154915.db2.gz VQZKACWKZGLSHQ-GFCCVEGCSA-N 1 0 303.322 1.833 20 5 DDBDRO C[NH2+][C@@H]1CCN([C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000430607480 420156127 /nfs/dbraw/zinc/15/61/27/420156127.db2.gz YZDIHVHKTKGCAB-WDEREUQCSA-N 1 0 322.365 1.224 20 5 DDBDRO C[NH2+]C[C@@H]1CCCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000430625001 420162268 /nfs/dbraw/zinc/16/22/68/420162268.db2.gz JVJBXFWLJKOOES-STQMWFEESA-N 1 0 320.393 1.853 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)C1CC[NH2+]CC1 ZINC000430638454 420166701 /nfs/dbraw/zinc/16/67/01/420166701.db2.gz NGUHCDGPEBMBDU-UHFFFAOYSA-N 1 0 306.366 1.526 20 5 DDBDRO [NH3+][C@@H]1CCC[C@H](CNc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000420278370 420178552 /nfs/dbraw/zinc/17/85/52/420178552.db2.gz JDBCNGSBRKVCFN-CMPLNLGQSA-N 1 0 317.349 2.574 20 5 DDBDRO COc1ccc(OCCN[C@@H]2[C@H](C)CC[NH2+][C@@H]2C)c([N+](=O)[O-])c1 ZINC000420364686 420239066 /nfs/dbraw/zinc/23/90/66/420239066.db2.gz KLBYWHVIRVIXEP-XHBSWPGZSA-N 1 0 323.393 1.958 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@H](C)[NH2+]C[C@H]1C ZINC000420399276 420263794 /nfs/dbraw/zinc/26/37/94/420263794.db2.gz NRFZZOOBTVBRAN-NWDGAFQWSA-N 1 0 306.366 1.524 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000424075491 420311021 /nfs/dbraw/zinc/31/10/21/420311021.db2.gz PHKCZGKDTBOMTL-LOWVWBTDSA-N 1 0 323.397 1.322 20 5 DDBDRO CN(CC1([NH+](C)C)CCC1)c1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420608811 420330364 /nfs/dbraw/zinc/33/03/64/420330364.db2.gz FJGGTMIHGXPTKO-UHFFFAOYSA-N 1 0 306.366 1.614 20 5 DDBDRO NC(=O)c1cccc([N+](=O)[O-])c1NCC1CC[NH+](C2CC2)CC1 ZINC000420608937 420330441 /nfs/dbraw/zinc/33/04/41/420330441.db2.gz FTAVYMJBEBANOU-UHFFFAOYSA-N 1 0 318.377 1.980 20 5 DDBDRO C[C@@H]1CN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C[C@H]1[NH3+] ZINC000423989986 420294806 /nfs/dbraw/zinc/29/48/06/420294806.db2.gz YYBVIIDKJAFRQC-ZYHUDNBSSA-N 1 0 315.333 1.200 20 5 DDBDRO C[C@H]([NH3+])[C@H](C)NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000420450057 420295371 /nfs/dbraw/zinc/29/53/71/420295371.db2.gz XZMJJAJLIZMBDC-BQBZGAKWSA-N 1 0 307.759 1.262 20 5 DDBDRO Cc1c(CC(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000424000802 420300766 /nfs/dbraw/zinc/30/07/66/420300766.db2.gz OQJCWNUNCOWWSB-RISCZKNCSA-N 1 0 305.378 1.889 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000416497969 420394078 /nfs/dbraw/zinc/39/40/78/420394078.db2.gz VOBXNCRWIKHSCA-LLVKDONJSA-N 1 0 313.379 1.133 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000416497971 420395873 /nfs/dbraw/zinc/39/58/73/420395873.db2.gz VOBXNCRWIKHSCA-NSHDSACASA-N 1 0 313.379 1.133 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC[C@H](CC(F)(F)F)C2)c1 ZINC000444697969 230123059 /nfs/dbraw/zinc/12/30/59/230123059.db2.gz RIFCAGAKKRDMMC-KOLCDFICSA-N 1 0 322.287 1.427 20 5 DDBDRO C[NH+](C)C1(CNC(=O)COc2cccc([N+](=O)[O-])c2)CCC1 ZINC000438520697 420457081 /nfs/dbraw/zinc/45/70/81/420457081.db2.gz XIHHUFBBUYYOKT-UHFFFAOYSA-N 1 0 307.350 1.574 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000451635524 420605857 /nfs/dbraw/zinc/60/58/57/420605857.db2.gz RHUYMEFGDNFENO-TVYUQYBPSA-N 1 0 303.318 1.169 20 5 DDBDRO Cc1ccc(S(=O)(=O)N[C@H]2CC[NH2+]C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000440799999 420608515 /nfs/dbraw/zinc/60/85/15/420608515.db2.gz DFSJXNLOPOAKKV-QWRGUYRKSA-N 1 0 313.379 1.180 20 5 DDBDRO Cc1c(NC(=O)CC[N@@H+]2C[C@@H](C)C[C@H](O)C2)cccc1[N+](=O)[O-] ZINC000452068827 420619785 /nfs/dbraw/zinc/61/97/85/420619785.db2.gz PCPCWBCBKNHKGC-AAEUAGOBSA-N 1 0 321.377 1.935 20 5 DDBDRO C[N@H+](CCNC(=O)Nc1ccncc1[N+](=O)[O-])C1CCCCC1 ZINC000443609995 420754065 /nfs/dbraw/zinc/75/40/65/420754065.db2.gz XKJYBYUQPBHYHJ-UHFFFAOYSA-N 1 0 321.381 1.798 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@H](C[NH3+])C[C@@H]1C ZINC000442765165 420711417 /nfs/dbraw/zinc/71/14/17/420711417.db2.gz HBUUUYDIFZWWNT-RYUDHWBXSA-N 1 0 306.366 1.511 20 5 DDBDRO CC(C)NC(=O)C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447519667 420777968 /nfs/dbraw/zinc/77/79/68/420777968.db2.gz QYLUHBNOXHJWND-RYUDHWBXSA-N 1 0 309.370 1.389 20 5 DDBDRO COc1cc(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)c([N+](=O)[O-])cc1F ZINC000448795579 420898141 /nfs/dbraw/zinc/89/81/41/420898141.db2.gz PVCOYSPNGMSOIS-VIFPVBQESA-N 1 0 323.324 1.709 20 5 DDBDRO O=C(Cc1ccccc1[N+](=O)[O-])N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000449200092 420968397 /nfs/dbraw/zinc/96/83/97/420968397.db2.gz GTINYWKYDYISQK-CABCVRRESA-N 1 0 317.389 1.985 20 5 DDBDRO [NH3+]C1CCC(OCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000449196843 420968459 /nfs/dbraw/zinc/96/84/59/420968459.db2.gz ZICNUSGEVRXVGZ-UHFFFAOYSA-N 1 0 319.361 1.770 20 5 DDBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000493728790 420926604 /nfs/dbraw/zinc/92/66/04/420926604.db2.gz SIBMFFPBVSABTR-JDPNTUOHSA-N 1 0 301.346 1.961 20 5 DDBDRO C[C@@H]1[C@H](CO)CC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000488717125 421108175 /nfs/dbraw/zinc/10/81/75/421108175.db2.gz KGBTXMSTHOJIKE-PWSUYJOCSA-N 1 0 318.333 1.848 20 5 DDBDRO C[C@H]1[C@H](CO)CC[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000488724934 421108671 /nfs/dbraw/zinc/10/86/71/421108671.db2.gz AXHIHJCOCBBSEZ-QWRGUYRKSA-N 1 0 308.334 1.664 20 5 DDBDRO [NH3+]C[C@H]1CC[C@H](NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000449716771 421067507 /nfs/dbraw/zinc/06/75/07/421067507.db2.gz LYOUCWUVHBVEAY-IUCAKERBSA-N 1 0 303.322 1.328 20 5 DDBDRO Cc1nn(CCC(=O)NCC[N@H+]2CC[C@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000525291743 421284361 /nfs/dbraw/zinc/28/43/61/421284361.db2.gz PMBMTQZXEKMUEH-NSHDSACASA-N 1 0 323.397 1.256 20 5 DDBDRO COc1ccc(CC(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000563102876 421456671 /nfs/dbraw/zinc/45/66/71/421456671.db2.gz GCXDXHPHPOADEK-WCQYABFASA-N 1 0 321.377 1.732 20 5 DDBDRO Cc1ccc(NC(=O)N2CCN(C)C[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000564425682 421586051 /nfs/dbraw/zinc/58/60/51/421586051.db2.gz JSPSBBLWRJNZFK-GFCCVEGCSA-N 1 0 307.354 1.010 20 5 DDBDRO CO[C@@](C)(C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000564445232 421586192 /nfs/dbraw/zinc/58/61/92/421586192.db2.gz AERXPTJTDXPLJO-HOCLYGCPSA-N 1 0 324.377 1.739 20 5 DDBDRO C[C@H]1C[C@@H](C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCO1 ZINC000554446015 421640661 /nfs/dbraw/zinc/64/06/61/421640661.db2.gz WZZJRKOKFUQTTN-KBPBESRZSA-N 1 0 320.393 1.927 20 5 DDBDRO C[C@@H](C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1 ZINC000571364399 421707975 /nfs/dbraw/zinc/70/79/75/421707975.db2.gz SFSMNPGSDHTENI-XHDPSFHLSA-N 1 0 322.340 1.685 20 5 DDBDRO COc1ccc(CC(=O)NC[C@@H]2CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000521114779 421773622 /nfs/dbraw/zinc/77/36/22/421773622.db2.gz JMPCYWCIZJSTEI-LBPRGKRZSA-N 1 0 307.350 1.214 20 5 DDBDRO COc1ccc(CC(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000574749529 422171704 /nfs/dbraw/zinc/17/17/04/422171704.db2.gz IGNJQOPBROLCGB-CHWSQXEVSA-N 1 0 321.377 1.780 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CCOC(F)(F)F ZINC000582236591 422134767 /nfs/dbraw/zinc/13/47/67/422134767.db2.gz DKECQUQMBWAWAP-SECBINFHSA-N 1 0 324.255 1.461 20 5 DDBDRO C[C@@H]1C[C@@H](Nc2ccc3ncc([N+](=O)[O-])n3n2)C[N@@H+]1C1CC1 ZINC000584383764 422299286 /nfs/dbraw/zinc/29/92/86/422299286.db2.gz PEOQRFYKDGKYIK-NXEZZACHSA-N 1 0 302.338 1.675 20 5 DDBDRO CC(C)(C)[N@@H+]1CC[C@H](CNc2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000596306832 422374106 /nfs/dbraw/zinc/37/41/06/422374106.db2.gz IQHTWZRORSKDSO-SNVBAGLBSA-N 1 0 321.381 1.621 20 5 DDBDRO C[NH+](C)[C@@H](CNc1ccc(N)c([N+](=O)[O-])n1)c1ccccc1 ZINC000590569707 422320995 /nfs/dbraw/zinc/32/09/95/422320995.db2.gz NUZNAFHXPDDDHD-ZDUSSCGKSA-N 1 0 301.350 2.287 20 5 DDBDRO O=[N+]([O-])c1ccc(CN2CC[C@@H](CO)[C@@H](O)C2)c(Cl)c1 ZINC000578795618 422649119 /nfs/dbraw/zinc/64/91/19/422649119.db2.gz PHKJNEZFUAFJNO-GWCFXTLKSA-N 1 0 300.742 1.423 20 5 DDBDRO [NH3+]CC1CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000238036088 263594944 /nfs/dbraw/zinc/59/49/44/263594944.db2.gz NLSKNBXNNOKTCT-UHFFFAOYSA-N 1 0 313.379 1.095 20 5 DDBDRO [NH3+]C[C@@H]1CCCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000238062449 263596274 /nfs/dbraw/zinc/59/62/74/263596274.db2.gz MDACJHRMJGLEAP-NSHDSACASA-N 1 0 309.391 1.884 20 5 DDBDRO O=C(/C=C\c1cccc([N+](=O)[O-])c1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000316418493 271018244 /nfs/dbraw/zinc/01/82/44/271018244.db2.gz BUVNRXOOVDJGMC-ZVSVUTOMSA-N 1 0 301.346 1.961 20 5 DDBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000317469695 271022122 /nfs/dbraw/zinc/02/21/22/271022122.db2.gz XJADVCHYQOOCJJ-PPXSGIFESA-N 1 0 301.346 1.961 20 5 DDBDRO O=C(NCCNc1cc[nH+]cc1)c1ccc([N+](=O)[O-])cc1F ZINC000341873514 271228332 /nfs/dbraw/zinc/22/83/32/271228332.db2.gz ICKDGROSPFJKPL-UHFFFAOYSA-N 1 0 304.281 1.393 20 5 DDBDRO CCOc1ccc(C(=O)NCC2=CC[N@H+](C)CC2)cc1[N+](=O)[O-] ZINC000343257855 271704666 /nfs/dbraw/zinc/70/46/66/271704666.db2.gz ZPABDORABUNRBF-UHFFFAOYSA-N 1 0 319.361 1.985 20 5 DDBDRO C[C@H](CC(N)=O)[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000345848487 272349920 /nfs/dbraw/zinc/34/99/20/272349920.db2.gz JFYWHDLDAGTMID-SNVBAGLBSA-N 1 0 317.349 1.349 20 5 DDBDRO CCOC(=O)c1cc(C(=O)N2CCC[C@H]([NH3+])C2)cc([N+](=O)[O-])c1 ZINC000347499731 272709937 /nfs/dbraw/zinc/70/99/37/272709937.db2.gz OLQPLNXFQUCGGS-LBPRGKRZSA-N 1 0 321.333 1.335 20 5 DDBDRO C[NH2+]CCN(C)S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000440833062 273961462 /nfs/dbraw/zinc/96/14/62/273961462.db2.gz KUDGCIKHWBCJKH-UHFFFAOYSA-N 1 0 301.368 1.052 20 5 DDBDRO CCN(C)C(=O)C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000331351478 276067039 /nfs/dbraw/zinc/06/70/39/276067039.db2.gz WLYDIKJFUNJQGN-NEPJUHHUSA-N 1 0 309.370 1.343 20 5 DDBDRO CO[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])c(C)cc2C)[C@@H](C[NH3+])C1 ZINC000423504306 277339528 /nfs/dbraw/zinc/33/95/28/277339528.db2.gz GSXZHVQVPJTPGO-OLZOCXBDSA-N 1 0 321.377 1.790 20 5 DDBDRO CC(C)C[C@H](C[NH3+])NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000111829821 277483711 /nfs/dbraw/zinc/48/37/11/277483711.db2.gz UNTBSMVKFKXDQT-GFCCVEGCSA-N 1 0 315.395 1.388 20 5 DDBDRO COC[C@H](O)C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000130233775 277603162 /nfs/dbraw/zinc/60/31/62/277603162.db2.gz LANASAZDDMFUGR-BPLDGKMQSA-N 1 0 308.378 1.903 20 5 DDBDRO CO[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])c(C)cc2C)[C@H](C[NH3+])C1 ZINC000423504309 277741876 /nfs/dbraw/zinc/74/18/76/277741876.db2.gz GSXZHVQVPJTPGO-STQMWFEESA-N 1 0 321.377 1.790 20 5 DDBDRO C[C@H](C[NH3+])N(C)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000417990523 278182273 /nfs/dbraw/zinc/18/22/73/278182273.db2.gz MEQBXJJLHUZPOG-SECBINFHSA-N 1 0 314.773 1.779 20 5 DDBDRO CC[C@H]([NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)C(=O)NC ZINC000453408659 288088042 /nfs/dbraw/zinc/08/80/42/288088042.db2.gz QQJWYKVQPJGTJV-SDDRHHMPSA-N 1 0 309.370 1.389 20 5 DDBDRO [NH3+]C[C@H]1CCC[C@H]1NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000262594955 279654365 /nfs/dbraw/zinc/65/43/65/279654365.db2.gz UHMNWCISSBLVTR-VXGBXAGGSA-N 1 0 307.350 1.607 20 5 DDBDRO Cc1n[nH]c(C(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)c1[N+](=O)[O-] ZINC000286989446 280188621 /nfs/dbraw/zinc/18/86/21/280188621.db2.gz GXVHQJYVZHKGAX-QWRGUYRKSA-N 1 0 307.354 1.325 20 5 DDBDRO Cc1cc(N[C@H]2CC[S@@](=O)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000340777899 280301255 /nfs/dbraw/zinc/30/12/55/280301255.db2.gz MKYCEQMBTZXCKQ-CHNSCGDPSA-N 1 0 305.359 1.806 20 5 DDBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H](C2CC2)[C@@H]2CNCCO2)cc1 ZINC000422733283 280363419 /nfs/dbraw/zinc/36/34/19/280363419.db2.gz AURLRQASOFLVHM-JKSUJKDBSA-N 1 0 305.378 1.494 20 5 DDBDRO CC[NH+](CC)CCC[C@H](C)NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000123868794 281179182 /nfs/dbraw/zinc/17/91/82/281179182.db2.gz PBAXCOZDFZKRRH-LBPRGKRZSA-N 1 0 311.386 1.418 20 5 DDBDRO Cc1ccc(NCCCNC(=O)C[C@@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000129647076 281352536 /nfs/dbraw/zinc/35/25/36/281352536.db2.gz GAAIGWILAVMTBT-ZDUSSCGKSA-N 1 0 320.393 1.821 20 5 DDBDRO COc1ccc(C(=O)N2CC[N@H+](C)CC[C@H]2C)cc1[N+](=O)[O-] ZINC000354011360 298338209 /nfs/dbraw/zinc/33/82/09/298338209.db2.gz ZQSLJQRFUFYQMJ-LLVKDONJSA-N 1 0 307.350 1.770 20 5 DDBDRO CC[NH+](CC)CCO[C@H]1CCN(c2ncc([N+](=O)[O-])cn2)C1 ZINC000354581593 298471527 /nfs/dbraw/zinc/47/15/27/298471527.db2.gz VKPJOODQGCRFCO-ZDUSSCGKSA-N 1 0 309.370 1.322 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N(CC[NH+](C)C)C1CC1 ZINC000356279402 298750834 /nfs/dbraw/zinc/75/08/34/298750834.db2.gz LWJVFASFZNYXII-UHFFFAOYSA-N 1 0 309.370 1.042 20 5 DDBDRO COc1ccc(C(=O)N2CC[C@@H]3CC[N@H+](C)[C@H]3C2)cc1[N+](=O)[O-] ZINC000362287200 300044514 /nfs/dbraw/zinc/04/45/14/300044514.db2.gz OKAYVEIMXGJVHB-FZMZJTMJSA-N 1 0 319.361 1.770 20 5 DDBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000363052876 300204596 /nfs/dbraw/zinc/20/45/96/300204596.db2.gz BFFUIIZGLKHCMK-FVQBIDKESA-N 1 0 317.389 1.775 20 5 DDBDRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)Nc1ccc([N+](=O)[O-])cc1 ZINC000363094666 300209401 /nfs/dbraw/zinc/20/94/01/300209401.db2.gz GGYUPMQZFODIRT-UONOGXRCSA-N 1 0 320.349 1.580 20 5 DDBDRO COc1cc(C(=O)N2CC[C@@]3(CCC[C@@H]3[NH3+])C2)ccc1[N+](=O)[O-] ZINC000364196947 300356225 /nfs/dbraw/zinc/35/62/25/300356225.db2.gz CAFNZPCXDUMDLT-HOCLYGCPSA-N 1 0 319.361 1.947 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@H]2CCO[C@H]2C2CC2)c1 ZINC000365346335 300501476 /nfs/dbraw/zinc/50/14/76/300501476.db2.gz VPZBCMOIEPJINS-KBMXLJTQSA-N 1 0 322.361 1.492 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000368378585 301014664 /nfs/dbraw/zinc/01/46/64/301014664.db2.gz PHSIHFNYFDRQJE-IINYFYTJSA-N 1 0 304.350 1.095 20 5 DDBDRO COc1cccc(NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c1[N+](=O)[O-] ZINC000368486705 301038989 /nfs/dbraw/zinc/03/89/89/301038989.db2.gz OVOOCYZDYUSQDC-NWDGAFQWSA-N 1 0 307.350 1.879 20 5 DDBDRO CCc1n[nH]c(C(=O)N2CC[C@@H]3CC[N@H+](C)[C@@H]3C2)c1[N+](=O)[O-] ZINC000368587544 301058685 /nfs/dbraw/zinc/05/86/85/301058685.db2.gz DACMUPGTYLDVJN-GXSJLCMTSA-N 1 0 307.354 1.047 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H]2CCCC23CCOCC3)c1 ZINC000370296614 301311871 /nfs/dbraw/zinc/31/18/71/301311871.db2.gz HUDZEXALSWTALM-UONOGXRCSA-N 1 0 324.381 1.091 20 5 DDBDRO O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000377319563 302168382 /nfs/dbraw/zinc/16/83/82/302168382.db2.gz YDVHOENSQUWEDY-CTXXGXLOSA-N 1 0 301.346 1.676 20 5 DDBDRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000521041353 302869915 /nfs/dbraw/zinc/86/99/15/302869915.db2.gz DJNFNYWQAARDBG-JOYOIKCWSA-N 1 0 321.333 1.094 20 5 DDBDRO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000548955671 303600320 /nfs/dbraw/zinc/60/03/20/303600320.db2.gz NJUBMPWSVPJFRR-WCQYABFASA-N 1 0 323.397 1.948 20 5 DDBDRO Nc1c(C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc(F)cc1[N+](=O)[O-] ZINC000368613664 307106306 /nfs/dbraw/zinc/10/63/06/307106306.db2.gz NULJHQLIQYWKMX-UWJYBYFXSA-N 1 0 322.340 1.516 20 5 DDBDRO CCCc1n[nH]c(C(=O)N2CCC3(C2)CC[NH2+]CC3)c1[N+](=O)[O-] ZINC000373140637 307180273 /nfs/dbraw/zinc/18/02/73/307180273.db2.gz SGFOUCIBEMEBIX-UHFFFAOYSA-N 1 0 321.381 1.486 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@]2(CNC(=O)O2)C1 ZINC000375556966 307228031 /nfs/dbraw/zinc/22/80/31/307228031.db2.gz JOYQBGGLQJPEIC-OAHLLOKOSA-N 1 0 305.334 1.978 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000377645093 307275482 /nfs/dbraw/zinc/27/54/82/307275482.db2.gz BNGGDEYZRINVDP-HIFRSBDPSA-N 1 0 315.377 1.863 20 5 DDBDRO O=C(/C=C\c1cccc([N+](=O)[O-])c1)NC[C@@H]1C[NH2+]CCCO1 ZINC000390176678 307293649 /nfs/dbraw/zinc/29/36/49/307293649.db2.gz QTQQLPGZFDMILS-GXMNPTEKSA-N 1 0 305.334 1.103 20 5 DDBDRO Cc1c(NC(=O)[C@H](C)N2C[C@H](O)C[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000412036307 307298732 /nfs/dbraw/zinc/29/87/32/307298732.db2.gz MHNDMTOVROIHGC-WCFLWFBJSA-N 1 0 321.377 1.933 20 5 DDBDRO CNc1ccc(C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000516768245 307421867 /nfs/dbraw/zinc/42/18/67/307421867.db2.gz OQJDRJSTNKAIQU-NWDGAFQWSA-N 1 0 306.366 1.884 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@H]2CCCSC2)c1 ZINC000521994884 307473295 /nfs/dbraw/zinc/47/32/95/307473295.db2.gz ITCXUURDEDIJFF-WCQYABFASA-N 1 0 312.391 1.820 20 5 DDBDRO NC(=O)c1c[nH+]ccc1NCCOc1ccc([N+](=O)[O-])cc1 ZINC000545158810 307720801 /nfs/dbraw/zinc/72/08/01/307720801.db2.gz ZNUXYCMPMIZNRW-UHFFFAOYSA-N 1 0 302.290 1.002 20 5 DDBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2NC[C@H](O)C[NH+]1CCCC1 ZINC000563419477 307969718 /nfs/dbraw/zinc/96/97/18/307969718.db2.gz WQOABPKQSLKQTC-WFASDCNBSA-N 1 0 305.378 1.628 20 5 DDBDRO [NH3+]CCCNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000565716257 308038050 /nfs/dbraw/zinc/03/80/50/308038050.db2.gz BBBUFNXZAQFWEK-UHFFFAOYSA-N 1 0 306.366 1.276 20 5 DDBDRO Cc1cc(S(=O)(=O)N[C@@H]2CCC[NH2+]C2)c(C)cc1[N+](=O)[O-] ZINC000569987932 308155428 /nfs/dbraw/zinc/15/54/28/308155428.db2.gz AJPRGWKXMSQZSN-LLVKDONJSA-N 1 0 313.379 1.242 20 5 DDBDRO C[NH+](C)CCCCC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000570271028 308165514 /nfs/dbraw/zinc/16/55/14/308165514.db2.gz SODOGRLEABORGA-UHFFFAOYSA-N 1 0 319.365 1.819 20 5 DDBDRO COc1ccc(CC(=O)N2CC[C@](C)(C[NH3+])C2)cc1[N+](=O)[O-] ZINC000573597175 308246135 /nfs/dbraw/zinc/24/61/35/308246135.db2.gz YPWLKCVBSLJAEY-OAHLLOKOSA-N 1 0 307.350 1.343 20 5 DDBDRO O=[N+]([O-])c1cc2c(nc1NCC[NH+]1CCC(O)CC1)CCCC2 ZINC000578743751 308481940 /nfs/dbraw/zinc/48/19/40/308481940.db2.gz PJRTUSDPODOMSN-UHFFFAOYSA-N 1 0 320.393 1.737 20 5 DDBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCCC[NH2+]1 ZINC000584173349 331853222 /nfs/dbraw/zinc/85/32/22/331853222.db2.gz WBSKSXFTTUHOIM-AWEZNQCLSA-N 1 0 307.350 1.622 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CC1=CCOCC1 ZINC000582482118 337096693 /nfs/dbraw/zinc/09/66/93/337096693.db2.gz UQFYYHLSHMRCCN-CYBMUJFWSA-N 1 0 308.334 1.271 20 5 DDBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000583141047 337244778 /nfs/dbraw/zinc/24/47/78/337244778.db2.gz UUDTVRWKASHPGK-MLGOLLRUSA-N 1 0 319.361 1.480 20 5 DDBDRO C[C@@H]1CCC[C@@](CNc2ncc([N+](=O)[O-])c(N)n2)([NH+](C)C)C1 ZINC000301088633 533798107 /nfs/dbraw/zinc/79/81/07/533798107.db2.gz NBSGKKRZEWXFCT-QMTHXVAHSA-N 1 0 308.386 1.889 20 5 DDBDRO C[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C[NH+](C)C ZINC000292665645 534121586 /nfs/dbraw/zinc/12/15/86/534121586.db2.gz OTJBCUWMAYHKAA-SNVBAGLBSA-N 1 0 301.368 1.071 20 5 DDBDRO Cc1cc(C[NH3+])cc(NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)c1 ZINC000457379072 534172630 /nfs/dbraw/zinc/17/26/30/534172630.db2.gz OIQKCBHRHHZKLS-UHFFFAOYSA-N 1 0 317.349 1.932 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@H](C)CCC[NH3+] ZINC000415759240 534320629 /nfs/dbraw/zinc/32/06/29/534320629.db2.gz JVFDGLIXJZAXDW-SNVBAGLBSA-N 1 0 322.365 1.394 20 5 DDBDRO [NH3+]C[C@@H](NC(=O)CCOc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000423936385 534661609 /nfs/dbraw/zinc/66/16/09/534661609.db2.gz DBQTWTWHRSVQHZ-CYBMUJFWSA-N 1 0 321.377 1.997 20 5 DDBDRO CC[N@H+](C)CCNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000294983892 527795481 /nfs/dbraw/zinc/79/54/81/527795481.db2.gz SMEZGZBDECYNGT-UHFFFAOYSA-N 1 0 307.350 1.626 20 5 DDBDRO CCOC(=O)[C@H]1NCC[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000423069878 528090412 /nfs/dbraw/zinc/09/04/12/528090412.db2.gz FHFMFSZZQAGANI-JSGCOSHPSA-N 1 0 307.350 1.286 20 5 DDBDRO CCOC(=O)c1cc(C(=O)N[C@H]2CCC[NH2+]C2)cc([N+](=O)[O-])c1 ZINC000422729262 528154232 /nfs/dbraw/zinc/15/42/32/528154232.db2.gz KFPBFGQGBGQHPR-LBPRGKRZSA-N 1 0 321.333 1.253 20 5 DDBDRO CCOC(=O)c1ccnc(N[C@@H]2CCC[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000420234300 528273216 /nfs/dbraw/zinc/27/32/16/528273216.db2.gz HKUPPYQEDUDYCQ-VHSXEESVSA-N 1 0 308.338 1.848 20 5 DDBDRO CC[N@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)C1COC1 ZINC000451282151 528399569 /nfs/dbraw/zinc/39/95/69/528399569.db2.gz AYZZYFYRNRFGKW-UHFFFAOYSA-N 1 0 307.350 1.953 20 5 DDBDRO CCCC[NH+]1CCC(Nc2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000299263410 528463925 /nfs/dbraw/zinc/46/39/25/528463925.db2.gz IOIQGTKFYWSPLV-UHFFFAOYSA-N 1 0 321.381 1.765 20 5 DDBDRO CCCc1n[nH]c(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000331744406 528548279 /nfs/dbraw/zinc/54/82/79/528548279.db2.gz YFZFDLCICWNKPK-ZYHUDNBSSA-N 1 0 321.381 1.627 20 5 DDBDRO CC(C)[C@@H](C(=O)NCCn1cc([N+](=O)[O-])cn1)[NH+]1CCCCC1 ZINC000156987492 535138236 /nfs/dbraw/zinc/13/82/36/535138236.db2.gz MPCFBHUOWFFMPQ-AWEZNQCLSA-N 1 0 323.397 1.418 20 5 DDBDRO C[NH2+]C[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)C1 ZINC000071144801 696391425 /nfs/dbraw/zinc/39/14/25/696391425.db2.gz ZWFXLZCHXHKAMM-LLVKDONJSA-N 1 0 313.379 1.133 20 5 DDBDRO Cc1cc(C(=O)N2CCC(C[NH+](C)C)CC2)c(N)c([N+](=O)[O-])c1 ZINC000747980341 700094600 /nfs/dbraw/zinc/09/46/00/700094600.db2.gz QUJRVRAIEVMQPH-UHFFFAOYSA-N 1 0 320.393 1.899 20 5 DDBDRO CC(C)(C)C(=O)NC[C@H]1CCCN(Cn2nccc2[N+](=O)[O-])C1 ZINC000112695062 696652138 /nfs/dbraw/zinc/65/21/38/696652138.db2.gz ZPPDDOARHBXANR-GFCCVEGCSA-N 1 0 323.397 1.623 20 5 DDBDRO COCC[N@H+](CCC(=O)OC)Cc1cccc([N+](=O)[O-])c1C ZINC000113255358 696656515 /nfs/dbraw/zinc/65/65/15/696656515.db2.gz UWRWIGPCZBPAHP-UHFFFAOYSA-N 1 0 310.350 1.915 20 5 DDBDRO CC(C)(C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)S(C)(=O)=O ZINC000128681349 696781153 /nfs/dbraw/zinc/78/11/53/696781153.db2.gz UYRXRCSAUQYMQQ-LBPRGKRZSA-N 1 0 316.379 1.041 20 5 DDBDRO O=[N+]([O-])c1c(N2CCN(c3ccccn3)CC2)nc2ccccn21 ZINC000137633694 696858973 /nfs/dbraw/zinc/85/89/73/696858973.db2.gz IBZDDDHUDUQIRM-UHFFFAOYSA-N 1 0 324.344 1.964 20 5 DDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[N@H+](CCc2cccs2)CC1 ZINC000981137939 697015582 /nfs/dbraw/zinc/01/55/82/697015582.db2.gz HWCPNTWHDCNLJD-ZIAGYGMSSA-N 1 0 323.418 1.490 20 5 DDBDRO O=[N+]([O-])c1ccc2c(cnn2CN2CC[C@H]([NH+]3CC=CC3)C2)c1 ZINC000172932814 697373494 /nfs/dbraw/zinc/37/34/94/697373494.db2.gz ZUBIRGULHUCHQP-HNNXBMFYSA-N 1 0 313.361 1.848 20 5 DDBDRO Cc1c(C(=O)NCC[C@H]2CC[NH2+]C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000178952540 697431839 /nfs/dbraw/zinc/43/18/39/697431839.db2.gz XMEJWTNAMHKIOF-SNVBAGLBSA-N 1 0 322.321 1.541 20 5 DDBDRO Cc1cc(C(=O)NCC[N@H+]2CCC[C@@H]2C)c(N)c([N+](=O)[O-])c1 ZINC000773195913 697726600 /nfs/dbraw/zinc/72/66/00/697726600.db2.gz BZXFWLJCBHRVEO-NSHDSACASA-N 1 0 306.366 1.700 20 5 DDBDRO C[N@H+](C[C@@H]1CCOC1)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000749964876 700195266 /nfs/dbraw/zinc/19/52/66/700195266.db2.gz RIJQUABPNXJQET-LBPRGKRZSA-N 1 0 317.349 1.779 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCC[C@H](C3OCCO3)C2)cc1 ZINC000776582953 698121531 /nfs/dbraw/zinc/12/15/31/698121531.db2.gz XSCFOWVCVMUPSE-DZGCQCFKSA-N 1 0 322.361 1.713 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCC[C@@H](C3OCCO3)C2)cc1 ZINC000776582957 698121638 /nfs/dbraw/zinc/12/16/38/698121638.db2.gz XSCFOWVCVMUPSE-UKRRQHHQSA-N 1 0 322.361 1.713 20 5 DDBDRO O=[N+]([O-])c1ccc(F)cc1CN1CC[NH+](CCCCO)CC1 ZINC000750052398 700200943 /nfs/dbraw/zinc/20/09/43/700200943.db2.gz ANDPCKZUONCHCR-UHFFFAOYSA-N 1 0 311.357 1.624 20 5 DDBDRO CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000750066372 700202032 /nfs/dbraw/zinc/20/20/32/700202032.db2.gz ISYXXUOBHMDGHR-HOTGVXAUSA-N 1 0 305.378 1.797 20 5 DDBDRO O=[N+]([O-])c1ccc(Cl)c(CN2CCC[C@](O)(CO)C2)c1 ZINC000314358508 698688845 /nfs/dbraw/zinc/68/88/45/698688845.db2.gz IXZJYIBXOKGINQ-CYBMUJFWSA-N 1 0 300.742 1.567 20 5 DDBDRO O=C1NC2(CO1)CC[NH+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000784455202 698939964 /nfs/dbraw/zinc/93/99/64/698939964.db2.gz WKSMRHMRWFLYEY-CYBMUJFWSA-N 1 0 321.333 1.203 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@@]2(CCC[NH2+]2)C1 ZINC000420408001 699139606 /nfs/dbraw/zinc/13/96/06/699139606.db2.gz TZBFYZAGZCYLIA-INIZCTEOSA-N 1 0 318.377 1.670 20 5 DDBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]CCC1CS(=O)(=O)C1 ZINC000786825218 699171907 /nfs/dbraw/zinc/17/19/07/699171907.db2.gz QWNOVJLOAQMPAD-UHFFFAOYSA-N 1 0 318.782 1.773 20 5 DDBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CC(C(N)=O)=NO1 ZINC000789562073 699395898 /nfs/dbraw/zinc/39/58/98/699395898.db2.gz UZOUHWBADHPVIY-PRFOUVDFSA-N 1 0 318.333 1.218 20 5 DDBDRO COC(=O)C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CC1 ZINC000792877977 699720408 /nfs/dbraw/zinc/72/04/08/699720408.db2.gz YIRXIMGULIASNW-LBPRGKRZSA-N 1 0 323.305 1.934 20 5 DDBDRO COC[C@@H](CO)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000793325448 699750712 /nfs/dbraw/zinc/75/07/12/699750712.db2.gz RFPRJTQBRVLHCD-CYBMUJFWSA-N 1 0 309.366 1.161 20 5 DDBDRO C[C@@H]1CCC[N@@H+]1CCNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000742239766 699869113 /nfs/dbraw/zinc/86/91/13/699869113.db2.gz HDANIGSDQGSUQR-GFCCVEGCSA-N 1 0 307.350 1.574 20 5 DDBDRO CC[N@@H+](CCc1ccccn1)CCn1cc([N+](=O)[O-])ccc1=O ZINC000761672044 700866618 /nfs/dbraw/zinc/86/66/18/700866618.db2.gz DVSRUBLHHKRWRS-UHFFFAOYSA-N 1 0 316.361 1.716 20 5 DDBDRO O=C(C[NH2+][C@H](CO)C1CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000763070404 700924033 /nfs/dbraw/zinc/92/40/33/700924033.db2.gz PLZFDMNULXGPHM-LLVKDONJSA-N 1 0 313.741 1.547 20 5 DDBDRO NC(=O)c1csc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)c1 ZINC000809734807 701683667 /nfs/dbraw/zinc/68/36/67/701683667.db2.gz RCBSTUHVODBISL-UHFFFAOYSA-N 1 0 320.374 1.721 20 5 DDBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839699019 701788745 /nfs/dbraw/zinc/78/87/45/701788745.db2.gz UURHDVPYWKHEFK-DRPJVOAASA-N 1 0 317.389 1.678 20 5 DDBDRO Cc1ccc(CNC(=O)NC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000868351434 702076893 /nfs/dbraw/zinc/07/68/93/702076893.db2.gz VCZJNKPGMDBUMS-UHFFFAOYSA-N 1 0 306.366 1.797 20 5 DDBDRO COC(=O)c1ccnc(N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000866209646 706649818 /nfs/dbraw/zinc/64/98/18/706649818.db2.gz UOGOAHRHDBXVSX-ZYHUDNBSSA-N 1 0 320.349 1.307 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(C(=S)Nc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000840799352 702242014 /nfs/dbraw/zinc/24/20/14/702242014.db2.gz CNLRWCVZRRYAOT-MFKMUULPSA-N 1 0 306.391 1.928 20 5 DDBDRO CN(C)c1ncc(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)n1C ZINC000840894017 702273029 /nfs/dbraw/zinc/27/30/29/702273029.db2.gz MUJLCXCFVYXEHT-CQSZACIVSA-N 1 0 319.365 1.218 20 5 DDBDRO Cc1cc([N+](=O)[O-])cnc1N(C)CC[NH+]1CC2(C1)CCOCC2 ZINC000866256232 706658843 /nfs/dbraw/zinc/65/88/43/706658843.db2.gz MLWLNRAOJWRYOF-UHFFFAOYSA-N 1 0 320.393 1.847 20 5 DDBDRO CN(CCC[NH3+])C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000841855169 702588783 /nfs/dbraw/zinc/58/87/83/702588783.db2.gz HSXJDMFHNSSWIU-UHFFFAOYSA-N 1 0 300.746 1.738 20 5 DDBDRO C[NH2+]CCCNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000841856520 702589806 /nfs/dbraw/zinc/58/98/06/702589806.db2.gz RGIVMRRDBFHJLM-UHFFFAOYSA-N 1 0 300.746 1.657 20 5 DDBDRO CON(C)C(=O)[C@H](C)[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866400232 706689837 /nfs/dbraw/zinc/68/98/37/706689837.db2.gz ZSQVIDKZGWIFJR-ZJUUUORDSA-N 1 0 313.329 1.663 20 5 DDBDRO CC1(C)C[NH2+]CC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000842484240 702727663 /nfs/dbraw/zinc/72/76/63/702727663.db2.gz YMYCPUYOFPVWEJ-MRVPVSSYSA-N 1 0 319.408 1.323 20 5 DDBDRO CC(C)C[C@H](O)C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000843071253 702813453 /nfs/dbraw/zinc/81/34/53/702813453.db2.gz UQLGFJZNNQVSRN-QWHCGFSZSA-N 1 0 312.366 1.331 20 5 DDBDRO CN(CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CC([NH3+])C1 ZINC000843389342 702871875 /nfs/dbraw/zinc/87/18/75/702871875.db2.gz PGNHYRLRXKCXTH-UHFFFAOYSA-N 1 0 312.757 1.608 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N[C@H]2CC[NH2+][C@H](C)C2)cc1[N+](=O)[O-] ZINC000843471908 702888589 /nfs/dbraw/zinc/88/85/89/702888589.db2.gz PDECRQPCELBSGM-KCJUWKMLSA-N 1 0 322.321 1.682 20 5 DDBDRO CC[NH+](CC)[C@H](C)CNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000831494536 706719083 /nfs/dbraw/zinc/71/90/83/706719083.db2.gz BNASEDWJJYKBQD-RISCZKNCSA-N 1 0 309.366 1.475 20 5 DDBDRO Cc1c(OS(=O)(=O)CC2([NH+](C)C)CC2)cccc1[N+](=O)[O-] ZINC000866546445 706726406 /nfs/dbraw/zinc/72/64/06/706726406.db2.gz IJFNJASINUBIPR-UHFFFAOYSA-N 1 0 314.363 1.706 20 5 DDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000846680614 703315451 /nfs/dbraw/zinc/31/54/51/703315451.db2.gz SPUYUIVMKHSABO-UHFFFAOYSA-N 1 0 304.350 1.521 20 5 DDBDRO C[N@@H+]1CC[C@@H](CCOC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000847823020 703472800 /nfs/dbraw/zinc/47/28/00/703472800.db2.gz JJWQTJQZDWESGM-JTQLQIEISA-N 1 0 322.317 1.822 20 5 DDBDRO O=C1O[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)CN1C1CC1 ZINC000848576851 703564266 /nfs/dbraw/zinc/56/42/66/703564266.db2.gz DABHPJQVZRPGCH-LBPRGKRZSA-N 1 0 309.297 1.807 20 5 DDBDRO COC(=O)/C=C\c1ccc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)o1 ZINC000848900284 703600326 /nfs/dbraw/zinc/60/03/26/703600326.db2.gz ZXZLHLXRVOBWQP-PLNGDYQASA-N 1 0 320.305 1.360 20 5 DDBDRO COC(=O)COc1ccc(C[NH2+][C@H]2C=CCC2)cc1[N+](=O)[O-] ZINC000850359156 703727119 /nfs/dbraw/zinc/72/71/19/703727119.db2.gz YFRVKYGNVNQRNG-LBPRGKRZSA-N 1 0 306.318 1.955 20 5 DDBDRO CCO[C@@H](CNC(=O)c1ccc(NC)c([N+](=O)[O-])c1)C[NH+](C)C ZINC000831777034 706777845 /nfs/dbraw/zinc/77/78/45/706777845.db2.gz PGAQMOOLPYAAOH-LBPRGKRZSA-N 1 0 324.381 1.333 20 5 DDBDRO CC(C)(C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000819133127 704074339 /nfs/dbraw/zinc/07/43/39/704074339.db2.gz JIJAONKVGHXEOX-GFCCVEGCSA-N 1 0 316.379 1.041 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]Cc1cccnc1F ZINC000819276551 704099397 /nfs/dbraw/zinc/09/93/97/704099397.db2.gz OLWHXMSTSIHKOB-LBPRGKRZSA-N 1 0 321.308 1.658 20 5 DDBDRO CC(=O)N1CCC[C@@H](C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819276457 704099402 /nfs/dbraw/zinc/09/94/02/704099402.db2.gz LZNMRNDDTBPAGJ-XJKSGUPXSA-N 1 0 321.377 1.476 20 5 DDBDRO C[S@@](=O)C1(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCC1 ZINC000819286439 704101201 /nfs/dbraw/zinc/10/12/01/704101201.db2.gz OFXWKMNTEINTQK-LRTDBIEQSA-N 1 0 312.391 1.519 20 5 DDBDRO O=C(COc1cccc([N+](=O)[O-])c1)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000870976455 704188131 /nfs/dbraw/zinc/18/81/31/704188131.db2.gz FGNJIZAQXLAMLF-CLLJXQQHSA-N 1 0 319.361 1.620 20 5 DDBDRO COc1ccc(C[NH2+]C[C@@H](O)c2ccccn2)cc1[N+](=O)[O-] ZINC000853062239 704190943 /nfs/dbraw/zinc/19/09/43/704190943.db2.gz ODQQCXFNPDOKNM-CQSZACIVSA-N 1 0 303.318 1.822 20 5 DDBDRO O=[N+]([O-])c1ccc(OCC[NH2+]C[C@H](O)c2ccccn2)cc1 ZINC000853098483 704196430 /nfs/dbraw/zinc/19/64/30/704196430.db2.gz JWCJYUFKKDWBAT-HNNXBMFYSA-N 1 0 303.318 1.692 20 5 DDBDRO C[N@@H+]1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)CCC1(C)C ZINC000871153997 704232351 /nfs/dbraw/zinc/23/23/51/704232351.db2.gz YHKVOMYJXHTDJN-UHFFFAOYSA-N 1 0 309.370 1.124 20 5 DDBDRO C[NH+](C)[C@@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000853411610 704238842 /nfs/dbraw/zinc/23/88/42/704238842.db2.gz OSRXICZUWUTYNF-ZYHUDNBSSA-N 1 0 306.366 1.978 20 5 DDBDRO C[NH+](C)CC1CN(C(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000821009933 704358600 /nfs/dbraw/zinc/35/86/00/704358600.db2.gz HLEZDZSBHNBKBV-GJZGRUSLSA-N 1 0 303.362 1.718 20 5 DDBDRO CC(C)[C@H]1CN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000856490365 704531044 /nfs/dbraw/zinc/53/10/44/704531044.db2.gz JYIMVQMJAFEYMI-ZIAGYGMSSA-N 1 0 307.350 1.085 20 5 DDBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857767721 704622815 /nfs/dbraw/zinc/62/28/15/704622815.db2.gz GTEFLOAFKUIWDX-RKDXNWHRSA-N 1 0 317.292 1.808 20 5 DDBDRO O=[N+]([O-])c1cccc(N2CCN(c3cc[nH+]c(CO)c3)CC2)c1 ZINC000858350345 704698590 /nfs/dbraw/zinc/69/85/90/704698590.db2.gz GBESXIXDTGPNIA-UHFFFAOYSA-N 1 0 314.345 1.809 20 5 DDBDRO COC[C@@]1(c2nc(-c3ccc(C)c([N+](=O)[O-])c3)no2)CC[NH2+]C1 ZINC000822723563 705019855 /nfs/dbraw/zinc/01/98/55/705019855.db2.gz YDLQYCHBYIUTMK-OAHLLOKOSA-N 1 0 318.333 1.831 20 5 DDBDRO C[C@@H]1CN(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)C[C@H](C)[N@H+]1C ZINC000823932861 705340926 /nfs/dbraw/zinc/34/09/26/705340926.db2.gz GJWAVHLYRIVRFC-AOOOYVTPSA-N 1 0 307.354 1.733 20 5 DDBDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)Nc3ccc(N)c([N+](=O)[O-])c3)C2)C1 ZINC000823933353 705341800 /nfs/dbraw/zinc/34/18/00/705341800.db2.gz PIJNLFMEDBBLBV-OAHLLOKOSA-N 1 0 319.365 1.737 20 5 DDBDRO C[C@@H]([NH3+])CN(C)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000861608003 705519177 /nfs/dbraw/zinc/51/91/77/705519177.db2.gz HYMHCFYXLWTPCA-MRVPVSSYSA-N 1 0 300.746 1.737 20 5 DDBDRO [NH3+]C[C@H]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000825188189 705620030 /nfs/dbraw/zinc/62/00/30/705620030.db2.gz GZXVPSDZXUQZPM-WPRPVWTQSA-N 1 0 308.294 1.360 20 5 DDBDRO Cc1c(C(=O)N[C@H]2CC[NH2+]C2(C)C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000825249654 705633719 /nfs/dbraw/zinc/63/37/19/705633719.db2.gz MBSYXZBWGWLQMN-LBPRGKRZSA-N 1 0 322.321 1.682 20 5 DDBDRO CC1(C)[NH2+]CC[C@@H]1NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000825256574 705634408 /nfs/dbraw/zinc/63/44/08/705634408.db2.gz BBWBLMSSPBTYTC-ZDUSSCGKSA-N 1 0 317.349 1.201 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@@H]1C[C@@H]([NH+](C)C)C12CCC2 ZINC000825527932 705687846 /nfs/dbraw/zinc/68/78/46/705687846.db2.gz UPRSDUWCTDXDAC-VXGBXAGGSA-N 1 0 321.381 1.089 20 5 DDBDRO CCCC[N@H+](C)CCNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825868755 705738742 /nfs/dbraw/zinc/73/87/42/705738742.db2.gz JQPSUFXAMOBOMK-CQSZACIVSA-N 1 0 309.366 1.476 20 5 DDBDRO C[NH+](C)CC1CCN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000825887082 705741665 /nfs/dbraw/zinc/74/16/65/705741665.db2.gz LHDSCGBDCLZJOV-HNNXBMFYSA-N 1 0 321.377 1.428 20 5 DDBDRO [NH3+]CCN(Cc1cnc2n1CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000825903713 705743542 /nfs/dbraw/zinc/74/35/42/705743542.db2.gz PEQMDAUCAIQDCM-UHFFFAOYSA-N 1 0 301.350 1.703 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000876543718 705752670 /nfs/dbraw/zinc/75/26/70/705752670.db2.gz NLLOBAIPSGNCCY-AAEUAGOBSA-N 1 0 307.350 1.400 20 5 DDBDRO O=C(NC[C@H]1CCCC[N@@H+]1Cc1ccccc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000826574040 705818432 /nfs/dbraw/zinc/81/84/32/705818432.db2.gz KPTBXFIEPGQNKN-BZUAXINKSA-N 1 0 317.389 1.823 20 5 DDBDRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)c1cc([N+](=O)[O-])ccc1F ZINC000826867947 705887405 /nfs/dbraw/zinc/88/74/05/705887405.db2.gz NOKKPJLUBYUDKS-NSHDSACASA-N 1 0 307.325 1.948 20 5 DDBDRO CN(C)C1(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CCCC1 ZINC000876898454 705913458 /nfs/dbraw/zinc/91/34/58/705913458.db2.gz BFVRTGYTUWJRDM-UHFFFAOYSA-N 1 0 307.398 1.959 20 5 DDBDRO C[C@@H](NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)C1=CC[N@H+](C)CC1 ZINC000828905412 706253422 /nfs/dbraw/zinc/25/34/22/706253422.db2.gz WPIPNMOQBOVGAA-IAQYHMDHSA-N 1 0 319.361 1.395 20 5 DDBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)C[C@@]1(O)CCc2ccccc21 ZINC000829337405 706320827 /nfs/dbraw/zinc/32/08/27/706320827.db2.gz GTIXNJDWGJTBGY-INIZCTEOSA-N 1 0 316.361 1.557 20 5 DDBDRO C[C@@H]1[C@H](NC(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000830110208 706456580 /nfs/dbraw/zinc/45/65/80/706456580.db2.gz BQSDJGYEUARYBU-SDJAHQOYSA-N 1 0 303.362 1.907 20 5 DDBDRO C[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCN2CCO[C@H]1C2 ZINC000830292910 706491270 /nfs/dbraw/zinc/49/12/70/706491270.db2.gz UENYDHHNEJPHFK-XHSDSOJGSA-N 1 0 321.377 1.033 20 5 DDBDRO COC(=O)CC[C@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000880039117 706860265 /nfs/dbraw/zinc/86/02/65/706860265.db2.gz FSCFBCYKAPIKCZ-GFCCVEGCSA-N 1 0 310.354 1.457 20 5 DDBDRO C[NH+](C)C1(CS(=O)(=O)Oc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000866990083 706865987 /nfs/dbraw/zinc/86/59/87/706865987.db2.gz NYHPGHCLMZRZJS-UHFFFAOYSA-N 1 0 318.326 1.537 20 5 DDBDRO O=[N+]([O-])c1ccc(-c2ncn(C[N@@H+]3C[C@@H]4COC[C@@H]4C3)n2)cc1 ZINC000872784928 707599970 /nfs/dbraw/zinc/59/99/70/707599970.db2.gz IAKQUZKYOKJKJE-BETUJISGSA-N 1 0 315.333 1.389 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)OC[C@H]1CCCC[N@H+]1C(C)C ZINC000837475163 707658789 /nfs/dbraw/zinc/65/87/89/707658789.db2.gz HFUJIGSGAJZUNG-CYBMUJFWSA-N 1 0 324.381 1.906 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H](CO)[C@H]1CCOC1 ZINC000873119724 707738140 /nfs/dbraw/zinc/73/81/40/707738140.db2.gz OXTUNNSCOPLEGF-KBPBESRZSA-N 1 0 308.378 1.946 20 5 DDBDRO COc1cc(NC[C@@H]2CSCC[NH2+]2)c([N+](=O)[O-])cc1OC ZINC000882728755 707763888 /nfs/dbraw/zinc/76/38/88/707763888.db2.gz HJYDJEPBYMJMIF-SECBINFHSA-N 1 0 313.379 1.729 20 5 DDBDRO O=C(c1cc2c(cc1[N+](=O)[O-])OCCCO2)N1CCC[NH2+]CC1 ZINC000884009792 708100803 /nfs/dbraw/zinc/10/08/03/708100803.db2.gz HXNOZUDKUSBTQH-UHFFFAOYSA-N 1 0 321.333 1.192 20 5 DDBDRO CNC(=O)c1ccc(N2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)c([N+](=O)[O-])c1 ZINC000896915481 708181702 /nfs/dbraw/zinc/18/17/02/708181702.db2.gz YOBASGUYJRNKRT-BLLLJJGKSA-N 1 0 318.377 1.342 20 5 DDBDRO O=[N+]([O-])c1cnc(N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)c(F)c1 ZINC000897216831 708255989 /nfs/dbraw/zinc/25/59/89/708255989.db2.gz VTKMGRUDZGWOLA-STQMWFEESA-N 1 0 310.329 1.164 20 5 DDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000897221370 708259115 /nfs/dbraw/zinc/25/91/15/708259115.db2.gz MBDSGDKSQTZXHM-OLZOCXBDSA-N 1 0 323.397 1.155 20 5 DDBDRO C[C@@H](NC(=O)C1C[NH+]([C@@H]2CCOC2)C1)c1ccccc1[N+](=O)[O-] ZINC000897306973 708285859 /nfs/dbraw/zinc/28/58/59/708285859.db2.gz FICQEDFXOXOAJV-DGCLKSJQSA-N 1 0 319.361 1.493 20 5 DDBDRO CC(C)c1ccc(C(=O)N(C)CC[N@H+](C)CCO)cc1[N+](=O)[O-] ZINC000912605424 713045157 /nfs/dbraw/zinc/04/51/57/713045157.db2.gz SLWBSEULWMYDNE-UHFFFAOYSA-N 1 0 323.393 1.714 20 5 DDBDRO O=[N+]([O-])c1ncccc1C[NH2+][C@@H]1CCCC[C@H]1N1CCOCC1 ZINC000886164354 708708711 /nfs/dbraw/zinc/70/87/11/708708711.db2.gz IWZWRHSLSMJUPA-HUUCEWRRSA-N 1 0 320.393 1.723 20 5 DDBDRO O=[N+]([O-])c1ncccc1C[NH2+][C@H](C1CC1)[C@@]1(CO)CCCO1 ZINC000886220489 708717899 /nfs/dbraw/zinc/71/78/99/708717899.db2.gz IYLRSIPCUXLGHA-HIFRSBDPSA-N 1 0 307.350 1.400 20 5 DDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N1CCC([NH+]2CCC2)CC1 ZINC000912875523 713113141 /nfs/dbraw/zinc/11/31/41/713113141.db2.gz JFBCGTWMOYYLHM-UHFFFAOYSA-N 1 0 304.350 1.487 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1NC1CC[NH+](Cc2ccncc2)CC1 ZINC000891897650 710321429 /nfs/dbraw/zinc/32/14/29/710321429.db2.gz MMKGPRTVMBKDIJ-UHFFFAOYSA-N 1 0 316.365 1.800 20 5 DDBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC)[C@H]1OC ZINC000892939190 710529095 /nfs/dbraw/zinc/52/90/95/710529095.db2.gz NCYAKQAAMFIJBV-NWANDNLSSA-N 1 0 310.350 1.885 20 5 DDBDRO C[NH+](C)C1(C)CCN(C(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000913399672 713208391 /nfs/dbraw/zinc/20/83/91/713208391.db2.gz CIQXYNLWCBFOEE-UHFFFAOYSA-N 1 0 321.377 1.916 20 5 DDBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C[C@@H](CO)[C@@H]1CCOC1 ZINC000894189714 711007801 /nfs/dbraw/zinc/00/78/01/711007801.db2.gz LAQKEPQVMHWGMQ-NEPJUHHUSA-N 1 0 314.769 1.983 20 5 DDBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C[C@H](CO)[C@@H]1CCOC1 ZINC000894189917 711007895 /nfs/dbraw/zinc/00/78/95/711007895.db2.gz LAQKEPQVMHWGMQ-VXGBXAGGSA-N 1 0 314.769 1.983 20 5 DDBDRO COc1cc([C@H](C)[NH2+][C@H]2CCCCNC2=O)cc([N+](=O)[O-])c1 ZINC000903064553 711021429 /nfs/dbraw/zinc/02/14/29/711021429.db2.gz CLTVAILCAGIPNN-HZMBPMFUSA-N 1 0 307.350 1.923 20 5 DDBDRO CC[N@H+]1[C@H](C)CN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000912021302 711126502 /nfs/dbraw/zinc/12/65/02/711126502.db2.gz KCVDNBDOXQCWKG-TYNCELHUSA-N 1 0 321.377 1.569 20 5 DDBDRO C[C@@H](N[C@H]1CC[NH2+]C12CCC2)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000903465278 711135010 /nfs/dbraw/zinc/13/50/10/711135010.db2.gz GRZLTUQKGQCLKJ-RISCZKNCSA-N 1 0 318.377 1.796 20 5 DDBDRO CN(CC[N@H+](C)CCO)c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000894592610 711199024 /nfs/dbraw/zinc/19/90/24/711199024.db2.gz ZHDWVDQLUXHZTP-UHFFFAOYSA-N 1 0 321.299 1.974 20 5 DDBDRO C[C@@]1(NC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C[NH+]2CCC1CC2 ZINC000912374430 711299171 /nfs/dbraw/zinc/29/91/71/711299171.db2.gz NYHCKZRYFIPOGF-GOEBONIOSA-N 1 0 319.361 1.229 20 5 DDBDRO COc1c(O)ccc(C[N@@H+]2CC[C@@H](C)[C@H](CO)C2)c1[N+](=O)[O-] ZINC000895515980 711531401 /nfs/dbraw/zinc/53/14/01/711531401.db2.gz YRQDJJSKZNFNFG-PWSUYJOCSA-N 1 0 310.350 1.759 20 5 DDBDRO C[C@@H]1[C@H](Nc2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)CC[N@@H+]1C ZINC000895737459 711590677 /nfs/dbraw/zinc/59/06/77/711590677.db2.gz VRHXZQUCZAELLD-NXEZZACHSA-N 1 0 319.365 1.290 20 5 DDBDRO COc1c(O)ccc(C[N@@H+]2CC[C@@H](C(C)(C)O)C2)c1[N+](=O)[O-] ZINC000895952777 711654577 /nfs/dbraw/zinc/65/45/77/711654577.db2.gz JIYDAUGFZBETCU-LLVKDONJSA-N 1 0 310.350 1.902 20 5 DDBDRO CC[C@H](CO)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000916570892 713458268 /nfs/dbraw/zinc/45/82/68/713458268.db2.gz ZXHZYEJDCMXIAO-MRVPVSSYSA-N 1 0 301.730 1.547 20 5 DDBDRO O=C(NC12CC[NH+](CC1)C2)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000913626139 713271313 /nfs/dbraw/zinc/27/13/13/713271313.db2.gz CXOIAVBDNVNFAV-UHFFFAOYSA-N 1 0 300.318 1.654 20 5 DDBDRO COCC[C@@H]1C[NH2+]CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000904421115 711855754 /nfs/dbraw/zinc/85/57/54/711855754.db2.gz PANWJRCZHCJCCV-CYBMUJFWSA-N 1 0 322.365 1.745 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H]2COC3(CCC3)C2)c1 ZINC000905449530 712040477 /nfs/dbraw/zinc/04/04/77/712040477.db2.gz FBOVLEPTZVNXKX-GXTWGEPZSA-N 1 0 322.361 1.636 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]Cc2ccc(CCO)cc2)cc1 ZINC000905696539 712122292 /nfs/dbraw/zinc/12/22/92/712122292.db2.gz OYSWYTWKKZSLEM-KRWDZBQOSA-N 1 0 316.357 1.953 20 5 DDBDRO O=C(NC[C@@H]1CCC[NH2+]C1)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000906633975 712374718 /nfs/dbraw/zinc/37/47/18/712374718.db2.gz MTLPWYKIPWZGGB-KCPJHIHWSA-N 1 0 303.362 1.814 20 5 DDBDRO C[C@H]([NH2+]C(C)(C)CO)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000916572466 713458651 /nfs/dbraw/zinc/45/86/51/713458651.db2.gz JECNCXBHIIVXFL-QMMMGPOBSA-N 1 0 315.757 1.936 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000930283652 713793306 /nfs/dbraw/zinc/79/33/06/713793306.db2.gz XVLGRZXJZKMENL-LBPRGKRZSA-N 1 0 323.397 1.338 20 5 DDBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000930362848 713814101 /nfs/dbraw/zinc/81/41/01/713814101.db2.gz RDLFLNVSNMZAIS-JTQLQIEISA-N 1 0 309.391 1.998 20 5 DDBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H]1C[C@@H]2COC[C@H]2O1 ZINC000930441070 713835690 /nfs/dbraw/zinc/83/56/90/713835690.db2.gz QXWKVHMGTLHOKI-IJEWVQPXSA-N 1 0 306.362 1.873 20 5 DDBDRO O=[N+]([O-])c1ccccc1CC[NH2+]Cc1cnc2n1CCOC2 ZINC000921792344 713870792 /nfs/dbraw/zinc/87/07/92/713870792.db2.gz WOKQDWCGFQADBL-UHFFFAOYSA-N 1 0 302.334 1.654 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCC[N@@H+](C(C)C)CC1 ZINC000931795097 714187014 /nfs/dbraw/zinc/18/70/14/714187014.db2.gz QZCRANOYTXTXLS-UHFFFAOYSA-N 1 0 309.370 1.042 20 5 DDBDRO Cn1ccc(C2CC[NH+](CCn3cc([N+](=O)[O-])cn3)CC2)n1 ZINC000932144758 714270499 /nfs/dbraw/zinc/27/04/99/714270499.db2.gz VYMNDHJSGQJLOP-UHFFFAOYSA-N 1 0 304.354 1.404 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000923359563 714326726 /nfs/dbraw/zinc/32/67/26/714326726.db2.gz RXZAGXSIGIZTCF-BJJXKVORSA-N 1 0 321.377 1.018 20 5 DDBDRO C[C@@H]1CN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@H](C)C[NH2+]1 ZINC000923361727 714327582 /nfs/dbraw/zinc/32/75/82/714327582.db2.gz MCGBRDHTVHBLFL-YRGRVCCFSA-N 1 0 309.366 1.017 20 5 DDBDRO C[C@@H]1C[N@H+](CC[N+](=O)[O-])CC[C@@H]1CNC(=O)OC(C)(C)C ZINC000932710165 714394957 /nfs/dbraw/zinc/39/49/57/714394957.db2.gz LFXLZLXKEMBGPC-VXGBXAGGSA-N 1 0 301.387 1.746 20 5 DDBDRO COc1ccc(CN[C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)cc1[N+](=O)[O-] ZINC000925600639 714896910 /nfs/dbraw/zinc/89/69/10/714896910.db2.gz HQJPAMISDUIYHS-LTVHRWTQSA-N 1 0 303.362 1.689 20 5 DDBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)n1 ZINC001164664958 719386512 /nfs/dbraw/zinc/38/65/12/719386512.db2.gz DCKYTSDPZIORCL-WDEREUQCSA-N 1 0 312.757 1.471 20 5 DDBDRO C[N@@H+]1CCO[C@H]2CN(c3ncc([N+](=O)[O-])c4ccccc43)C[C@H]21 ZINC001164668056 719389128 /nfs/dbraw/zinc/38/91/28/719389128.db2.gz PUMXRXNIQFDKDI-CABCVRRESA-N 1 0 314.345 1.662 20 5 DDBDRO CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1C[NH+](CC2CC(C)(C)C2)C1 ZINC000950056132 720469864 /nfs/dbraw/zinc/46/98/64/720469864.db2.gz TZTPKWCRITZBMJ-ZIAGYGMSSA-N 1 0 309.410 1.621 20 5 DDBDRO COc1nc(C)c([N+](=O)[O-])c(-n2ccnc2[C@H]2CCC[NH2+]C2)n1 ZINC001167056914 732365535 /nfs/dbraw/zinc/36/55/35/732365535.db2.gz QSCAOSVGOQTODG-JTQLQIEISA-N 1 0 318.337 1.355 20 5 DDBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N2C[C@H]3COC[C@@H](C2)C3[NH3+])n1 ZINC001167186102 732812718 /nfs/dbraw/zinc/81/27/18/732812718.db2.gz VWLUCQZIQVSOOK-SLHIUPAKSA-N 1 0 312.757 1.362 20 5 DDBDRO C[N@@H+]1CC[C@H](Nc2cc([N+](=O)[O-])cc(Br)n2)C1 ZINC001167275579 732886078 /nfs/dbraw/zinc/88/60/78/732886078.db2.gz SRZDRVPMXBLYMH-ZETCQYMHSA-N 1 0 301.144 1.868 20 5 DDBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)c1ccc[nH]1 ZINC001021830777 733605716 /nfs/dbraw/zinc/60/57/16/733605716.db2.gz YJOADNBBULVNDS-BETUJISGSA-N 1 0 314.345 1.974 20 5 DDBDRO Cc1ccn(C)c1C(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001126254426 738776252 /nfs/dbraw/zinc/77/62/52/738776252.db2.gz DOMUMJFTFRXTLX-UHFFFAOYSA-N 1 0 322.390 1.823 20 5 DDBDRO O=C(N[C@@H]1[C@H]2C[N@H+](Cc3cccc(F)c3)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025776079 736853180 /nfs/dbraw/zinc/85/31/80/736853180.db2.gz WJMYQSCYHGAREQ-QMIVOQANSA-N 1 0 319.336 1.037 20 5 DDBDRO COC(=O)[C@@H](CCC[NH3+])Nc1cc2cc[nH]c2c([N+](=O)[O-])c1 ZINC001167899965 739214992 /nfs/dbraw/zinc/21/49/92/739214992.db2.gz VRUMTYZFJJFNFP-LLVKDONJSA-N 1 0 306.322 1.769 20 5 DDBDRO CC(C)(C)n1ncnc1C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC001181223634 743119281 /nfs/dbraw/zinc/11/92/81/743119281.db2.gz RDHJOQRTOPLFGU-UHFFFAOYSA-N 1 0 319.369 1.631 20 5 DDBDRO C[NH+](C)[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)C12CCC2 ZINC001187034859 744496476 /nfs/dbraw/zinc/49/64/76/744496476.db2.gz ORXLVERQVFKGFX-ZIAGYGMSSA-N 1 0 318.377 1.978 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCC[C@H]1CSCC[NH2+]1 ZINC001122083557 745124051 /nfs/dbraw/zinc/12/40/51/745124051.db2.gz RXZDKIICTBYVKC-NSHDSACASA-N 1 0 309.391 1.728 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1CC[C@H](NC(=O)C2CC2)CC1 ZINC001034574685 750582529 /nfs/dbraw/zinc/58/25/29/750582529.db2.gz KWJXLFPQJQRHEW-HAQNSBGRSA-N 1 0 321.381 1.255 20 5 DDBDRO O=C1Nc2ccccc2CC[C@@H]1[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168984365 762152252 /nfs/dbraw/zinc/15/22/52/762152252.db2.gz MKKWKUYFDPKKQT-ZLDLUXBVSA-N 1 0 303.362 1.975 20 5 DDBDRO O=C(c1ccco1)N1C[C@@H]2C[C@]2([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168964155 762157753 /nfs/dbraw/zinc/15/77/53/762157753.db2.gz RDHAJNZGBYERCS-IATRGZMQSA-N 1 0 319.361 1.529 20 5 DDBDRO CS(=O)(=O)c1ccc(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1 ZINC001168967327 762158611 /nfs/dbraw/zinc/15/86/11/762158611.db2.gz OQPLDBCIVCXQQH-CHWSQXEVSA-N 1 0 312.391 1.625 20 5 DDBDRO O=C(CC[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)NCc1ccccc1 ZINC001168972666 762161530 /nfs/dbraw/zinc/16/15/30/762161530.db2.gz APSRSEOLBRVIGA-CABCVRRESA-N 1 0 305.378 1.728 20 5 DDBDRO CN(C(=O)OC(C)(C)C)C1C[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169008184 762176841 /nfs/dbraw/zinc/17/68/41/762176841.db2.gz RQIOUSNGYQHUKJ-VXGBXAGGSA-N 1 0 313.398 1.983 20 5 DDBDRO O=C(C1CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1)N1CCCC1 ZINC001169027121 762183193 /nfs/dbraw/zinc/18/31/93/762183193.db2.gz PEBQPGODMQBGEL-UKRRQHHQSA-N 1 0 309.410 1.766 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@H](N(c2ncccn2)C2CC[NH2+]CC2)C1 ZINC001169035357 762190590 /nfs/dbraw/zinc/19/05/90/762190590.db2.gz KPROHFGCPPYQJZ-OCCSQVGLSA-N 1 0 305.382 1.480 20 5 DDBDRO O=C(c1ccco1)N1CCC[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169037073 762192709 /nfs/dbraw/zinc/19/27/09/762192709.db2.gz IOZMOAPQUFWNIL-KGLIPLIRSA-N 1 0 321.377 1.873 20 5 DDBDRO O=C1OCCCN1C1CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169048435 762205578 /nfs/dbraw/zinc/20/55/78/762205578.db2.gz VEKNHGVWGJSOMS-GXTWGEPZSA-N 1 0 311.382 1.739 20 5 DDBDRO Cc1cc(N([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)[C@H]2CC[NH2+]C2)ncn1 ZINC001169052522 762208145 /nfs/dbraw/zinc/20/81/45/762208145.db2.gz GWLUPOWYJZASGJ-MCIONIFRSA-N 1 0 305.382 1.399 20 5 DDBDRO COc1cnc(N2CC[NH+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)nc1 ZINC001169057680 762210846 /nfs/dbraw/zinc/21/08/46/762210846.db2.gz XAHYSNAJCRYHDG-CHWSQXEVSA-N 1 0 321.381 1.053 20 5 DDBDRO Cc1noc(C2(C)CCN(Cc3cn(C)nc3[N+](=O)[O-])CC2)n1 ZINC001169152038 762263144 /nfs/dbraw/zinc/26/31/44/762263144.db2.gz JDGKKIDNKXHPOD-UHFFFAOYSA-N 1 0 320.353 1.573 20 5 DDBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)c1ccc[nH]1 ZINC001019985210 760387081 /nfs/dbraw/zinc/38/70/81/760387081.db2.gz WBJOLBGUJCLRPB-JOCQHMNTSA-N 1 0 314.345 1.974 20 5 DDBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)c1cn[nH]c1 ZINC001020004660 760411848 /nfs/dbraw/zinc/41/18/48/760411848.db2.gz TZGKTODSTIFIPM-JOCQHMNTSA-N 1 0 315.333 1.369 20 5 DDBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)c1cc[nH]c1 ZINC001020182289 760658305 /nfs/dbraw/zinc/65/83/05/760658305.db2.gz LVVYCDXCCWHZAC-HDJSIYSDSA-N 1 0 314.345 1.974 20 5 DDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CC[NH+](CC1CCCC1)CC2 ZINC001050517455 763694214 /nfs/dbraw/zinc/69/42/14/763694214.db2.gz UJVXYQMJFJDOAS-HUUCEWRRSA-N 1 0 321.421 1.766 20 5 DDBDRO O=C(NC1CC[NH+](C2CC2)CC1)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001135939692 771796067 /nfs/dbraw/zinc/79/60/67/771796067.db2.gz LERSNBUZHHVWMO-UHFFFAOYSA-N 1 0 313.745 1.328 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)n1 ZINC001136342798 771942427 /nfs/dbraw/zinc/94/24/27/771942427.db2.gz DAPVWLKVVPPWIA-LLVKDONJSA-N 1 0 304.350 1.512 20 5 DDBDRO Cc1ncc([N+](=O)[O-])c(N[C@H]2CC[NH2+]C[C@@H]2C(F)(F)F)n1 ZINC001160738900 772678091 /nfs/dbraw/zinc/67/80/91/772678091.db2.gz VOZJWCRNSWWGBK-YUMQZZPRSA-N 1 0 305.260 1.646 20 5 DDBDRO [NH3+]C[C@H]1COc2ccccc2N1c1c[n+]([O-])ccc1[N+](=O)[O-] ZINC001171392568 774363367 /nfs/dbraw/zinc/36/33/67/774363367.db2.gz GDZYXUKFWLNVCU-JTQLQIEISA-N 1 0 302.290 1.086 20 5 DDBDRO C[NH+](C)CCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001093193232 774494354 /nfs/dbraw/zinc/49/43/54/774494354.db2.gz GJGGKMAFRBCGDM-UHFFFAOYSA-N 1 0 306.366 1.195 20 5 DDBDRO CCC[N@H+](C)CCC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC001093770969 775068137 /nfs/dbraw/zinc/06/81/37/775068137.db2.gz QZFFETPZNALTEG-UHFFFAOYSA-N 1 0 308.382 1.855 20 5 DDBDRO CC[NH+](CC)CC(=O)NCCN(C)c1cc(C)ccc1[N+](=O)[O-] ZINC001100125904 775711194 /nfs/dbraw/zinc/71/11/94/775711194.db2.gz UHCCFUGVGWIHAF-UHFFFAOYSA-N 1 0 322.409 1.797 20 5 DDBDRO C[NH+](C)CC1(C(=O)NCCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC001094736766 776239308 /nfs/dbraw/zinc/23/93/08/776239308.db2.gz QEIGEKQFWWMQRZ-UHFFFAOYSA-N 1 0 320.393 1.855 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@@H]1CCS(=O)(=O)C1)CC2 ZINC001172896311 776928937 /nfs/dbraw/zinc/92/89/37/776928937.db2.gz NWZAOTIEDXVLOB-ZIAGYGMSSA-N 1 0 324.402 1.619 20 5 DDBDRO C[C@H](CO)[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173007493 776960168 /nfs/dbraw/zinc/96/01/68/776960168.db2.gz RGTDNRHVFMTLGK-SECBINFHSA-N 1 0 315.320 1.812 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CCN2CCC2)c1F ZINC001173183860 777035224 /nfs/dbraw/zinc/03/52/24/777035224.db2.gz OABJCMPQLVNYOZ-NSHDSACASA-N 1 0 311.357 1.969 20 5 DDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@](C)(CO)[C@H](O)C1 ZINC001173223385 777057022 /nfs/dbraw/zinc/05/70/22/777057022.db2.gz ZNSRRHMZRJZCMO-DAXOMENPSA-N 1 0 308.378 1.591 20 5 DDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)CCN1CCOCC1 ZINC001173228943 777062474 /nfs/dbraw/zinc/06/24/74/777062474.db2.gz OEXVEUBSWGYNDO-AWEZNQCLSA-N 1 0 307.394 1.790 20 5 DDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1CCN(C2COC2)CC1 ZINC001173234926 777064482 /nfs/dbraw/zinc/06/44/82/777064482.db2.gz QUTRJSCPQJKLGI-ZDUSSCGKSA-N 1 0 319.405 1.979 20 5 DDBDRO C[NH+](C)CCC(=O)NCC1(Nc2ccccc2[N+](=O)[O-])CCC1 ZINC001111903375 779549576 /nfs/dbraw/zinc/54/95/76/779549576.db2.gz UNGSLFRGHZYCIF-UHFFFAOYSA-N 1 0 320.393 1.997 20 5 DDBDRO Cc1nc(NC2CC[NH+](C3CCOCC3)CC2)ncc1[N+](=O)[O-] ZINC001119288131 781394459 /nfs/dbraw/zinc/39/44/59/781394459.db2.gz XCMMXPGYYRVGGR-UHFFFAOYSA-N 1 0 321.381 1.749 20 5 DDBDRO Cc1cncc([N+](=O)[O-])c1NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC001119977755 781703633 /nfs/dbraw/zinc/70/36/33/781703633.db2.gz SPEDRLQKIIRGGA-CYBMUJFWSA-N 1 0 306.366 1.385 20 5 DDBDRO Cn1nnnc1CCC[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC001119983103 781708016 /nfs/dbraw/zinc/70/80/16/781708016.db2.gz PCIYKSNWHDDTID-UHFFFAOYSA-N 1 0 310.745 1.494 20 5 DDBDRO C[NH+](C)[C@@H]1CC[C@H]2CN(c3ccc(N)c([N+](=O)[O-])n3)C[C@@H]2C1 ZINC001119982021 781708036 /nfs/dbraw/zinc/70/80/36/781708036.db2.gz FQAINAKIIVACJJ-SDDRHHMPSA-N 1 0 305.382 1.739 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H]2C[C@@H]([NH+]3CCCC3)C2)n1 ZINC001142938465 861316010 /nfs/dbraw/zinc/31/60/10/861316010.db2.gz RUKKXDRRZJZYAT-TXEJJXNPSA-N 1 0 304.350 1.655 20 5 DDBDRO Cn1nccc1C(=O)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001155480612 862141175 /nfs/dbraw/zinc/14/11/75/862141175.db2.gz HRMYYYYZFGVRCN-UHFFFAOYSA-N 1 0 317.349 1.238 20 5 DDBDRO COc1cc(NC[C@@H]2OC[C@H]3C[NH2+]CC[C@H]32)ncc1[N+](=O)[O-] ZINC001155522212 862187601 /nfs/dbraw/zinc/18/76/01/862187601.db2.gz DPZIQLAQLQNEQW-BREBYQMCSA-N 1 0 308.338 1.035 20 5 DDBDRO CNc1nccc(C(=O)N[C@@H]2CCCC[C@@H]2[NH+](C)C)c1[N+](=O)[O-] ZINC001327618584 862323655 /nfs/dbraw/zinc/32/36/55/862323655.db2.gz FHZQQYIZPNRTBU-NEPJUHHUSA-N 1 0 321.381 1.634 20 5 DDBDRO COc1nc(N2CC[NH2+]C[C@H]2c2cccs2)ncc1[N+](=O)[O-] ZINC001156089491 862714606 /nfs/dbraw/zinc/71/46/06/862714606.db2.gz NJHQFLZBJLGELQ-VIFPVBQESA-N 1 0 321.362 1.606 20 5 DDBDRO Cc1ncc([N+](=O)[O-])c(N2CC[NH2+]C[C@H]2c2cccs2)n1 ZINC001156098433 862718844 /nfs/dbraw/zinc/71/88/44/862718844.db2.gz PTANBJPOHQSWRU-JTQLQIEISA-N 1 0 305.363 1.906 20 5 DDBDRO CCn1c(CCC[N+](=O)[O-])nnc1N1CC[NH+](C2CCC2)CC1 ZINC001121758274 858589889 /nfs/dbraw/zinc/58/98/89/858589889.db2.gz KVMXLDYVJPMJNM-UHFFFAOYSA-N 1 0 322.413 1.182 20 5 DDBDRO [NH3+][C@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])CC[C@H]1C(F)(F)F ZINC001122243864 858724136 /nfs/dbraw/zinc/72/41/36/858724136.db2.gz ZVINZEGSKRVRKY-ZJUUUORDSA-N 1 0 317.267 1.947 20 5 DDBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1C[NH2+]CC12CC2 ZINC001122497092 858852515 /nfs/dbraw/zinc/85/25/15/858852515.db2.gz ATYONCIXKQHXAV-GWCFXTLKSA-N 1 0 321.402 1.944 20 5 DDBDRO CC(=O)OCCCCCCOC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001224577987 881456771 /nfs/dbraw/zinc/45/67/71/881456771.db2.gz OFWLIQDFYABMME-CQSZACIVSA-N 1 0 304.407 1.110 20 5 DDBDRO O=C(NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C1=COCCO1 ZINC001154361894 861041152 /nfs/dbraw/zinc/04/11/52/861041152.db2.gz NWRLHZOMGYGXMF-UHFFFAOYSA-N 1 0 321.333 1.079 20 5 DDBDRO Cc1ccc(C(=O)NCCC[NH2+]Cc2c([N+](=O)[O-])ncn2C)o1 ZINC001154398955 861071774 /nfs/dbraw/zinc/07/17/74/861071774.db2.gz NAACGOGYWISOTE-UHFFFAOYSA-N 1 0 321.337 1.139 20 5 DDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC001326113062 861109298 /nfs/dbraw/zinc/10/92/98/861109298.db2.gz QULUZCSKZZYPRX-CYBMUJFWSA-N 1 0 304.350 1.508 20 5 DDBDRO CCOC(=O)c1ccnc(NCc2ccnc(N)c2)c1[N+](=O)[O-] ZINC001156763917 863329195 /nfs/dbraw/zinc/32/91/95/863329195.db2.gz JQECPOADRJVAHE-UHFFFAOYSA-N 1 0 317.305 1.756 20 5 DDBDRO COC(=O)c1cnc(N2CC[C@@H]([N@H+](C)C(C)C)C2)c([N+](=O)[O-])c1 ZINC001157010083 863514621 /nfs/dbraw/zinc/51/46/21/863514621.db2.gz OGRWJRGDKWLRNA-GFCCVEGCSA-N 1 0 322.365 1.695 20 5 DDBDRO O=C(NCCC[NH2+]C/C=C/c1ccccc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157761386 864111464 /nfs/dbraw/zinc/11/14/64/864111464.db2.gz QDNNXRARWMYTDP-GMLRFVCHSA-N 1 0 303.362 1.461 20 5 DDBDRO CCc1ccc(C[NH2+]CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC001157766807 864116149 /nfs/dbraw/zinc/11/61/49/864116149.db2.gz AAAJLQUIKCMBOK-HUUCEWRRSA-N 1 0 305.378 1.510 20 5 DDBDRO Cc1ccc(CCC[NH2+]CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC001157767042 864118553 /nfs/dbraw/zinc/11/85/53/864118553.db2.gz FAFZFFWAVWIUBP-HZPDHXFCSA-N 1 0 319.405 1.689 20 5 DDBDRO [NH3+][C@@H]1CCc2nn(-c3ncnc4ccc([N+](=O)[O-])cc43)cc2C1 ZINC001157988035 864335348 /nfs/dbraw/zinc/33/53/48/864335348.db2.gz JVRMEPSUUVFSOP-SNVBAGLBSA-N 1 0 310.317 1.540 20 5 DDBDRO COc1nc(N2CCCc3ccc(C[NH3+])nc32)ncc1[N+](=O)[O-] ZINC001158648173 864784881 /nfs/dbraw/zinc/78/48/81/864784881.db2.gz ZPDNGYZWLQCYGW-UHFFFAOYSA-N 1 0 316.321 1.331 20 5 DDBDRO Cc1nc(N2CCCc3ccc(C[NH3+])nc32)ncc1[N+](=O)[O-] ZINC001158656211 864794583 /nfs/dbraw/zinc/79/45/83/864794583.db2.gz VVGBPSLOTDGIOB-UHFFFAOYSA-N 1 0 300.322 1.631 20 5 DDBDRO [NH3+][C@@H]1CN(c2nccc3cc([N+](=O)[O-])ccc32)CC12COC2 ZINC001158768358 864892951 /nfs/dbraw/zinc/89/29/51/864892951.db2.gz BRRZBAAQIDHEFK-CYBMUJFWSA-N 1 0 300.318 1.307 20 5 DDBDRO Nc1nc(N[C@@H]2CC[NH2+]C[C@@H]2C(F)(F)F)ccc1[N+](=O)[O-] ZINC001160736626 866086078 /nfs/dbraw/zinc/08/60/78/866086078.db2.gz DIUZEOFOJNNSEX-NKWVEPMBSA-N 1 0 305.260 1.524 20 5 DDBDRO O=C(NCC[NH+]1CC=CC1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC001319744652 866266102 /nfs/dbraw/zinc/26/61/02/866266102.db2.gz BTMNUNUNGSUWJN-UHFFFAOYSA-N 1 0 312.329 1.745 20 5 DDBDRO C[C@@H]1CN(c2cc[nH+]cc2)CCN1Cn1nccc1[N+](=O)[O-] ZINC001333334156 866642933 /nfs/dbraw/zinc/64/29/33/866642933.db2.gz PXGSFBNKDFOIGZ-GFCCVEGCSA-N 1 0 302.338 1.355 20 5 DDBDRO CC(C)[N@H+](C)C[C@@H](O)CN1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001333586571 866860766 /nfs/dbraw/zinc/86/07/66/866860766.db2.gz JZVGQGLLYKGAGR-MRXNPFEDSA-N 1 0 307.394 1.654 20 5 DDBDRO CO[C@@H]1CC[N@H+](CCOc2cc(F)c(F)cc2[N+](=O)[O-])C1 ZINC001225780381 882022841 /nfs/dbraw/zinc/02/28/41/882022841.db2.gz ZUZVSHISHOXUMI-SECBINFHSA-N 1 0 302.277 1.973 20 5 DDBDRO C[C@]12COC[C@H]1CN(Cn1c(=O)oc3cccc([N+](=O)[O-])c31)C2 ZINC001333720824 866961785 /nfs/dbraw/zinc/96/17/85/866961785.db2.gz CIRLVRIYLLHSCQ-BMIGLBTASA-N 1 0 319.317 1.429 20 5 DDBDRO CN(C)c1cc[nH+]c(CNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)c1 ZINC001161797187 867000905 /nfs/dbraw/zinc/00/09/05/867000905.db2.gz KVBHHQGPOJDOGR-UHFFFAOYSA-N 1 0 317.305 1.086 20 5 DDBDRO COC(=O)c1ccc(C[NH3+])n1-c1ccc2[nH]cc([N+](=O)[O-])c2n1 ZINC001161934472 867112377 /nfs/dbraw/zinc/11/23/77/867112377.db2.gz SPTQUJNDBYOEAH-UHFFFAOYSA-N 1 0 315.289 1.507 20 5 DDBDRO CC1(C)C[NH2+]C[C@H](CNc2cc(Cl)cc([N+](=O)[O-])n2)O1 ZINC001161953903 867138163 /nfs/dbraw/zinc/13/81/63/867138163.db2.gz CDRZPDAGLSJISF-SECBINFHSA-N 1 0 300.746 1.822 20 5 DDBDRO CC1(C)C[NH2+]C[C@H](CNc2ccc3[nH]cc([N+](=O)[O-])c3n2)O1 ZINC001161955725 867140590 /nfs/dbraw/zinc/14/05/90/867140590.db2.gz IQKQQVDNVSNVIS-SECBINFHSA-N 1 0 305.338 1.650 20 5 DDBDRO COCCC1([NH3+])CCN(c2ncc([N+](=O)[O-])c(C)c2C)CC1 ZINC001162041181 867211855 /nfs/dbraw/zinc/21/18/55/867211855.db2.gz DJPKZYOUVUZBRX-UHFFFAOYSA-N 1 0 308.382 1.941 20 5 DDBDRO Cc1nc(N2CCC[N@H+](C[C@@H]3CCCO3)CC2)ncc1[N+](=O)[O-] ZINC001324417765 867267831 /nfs/dbraw/zinc/26/78/31/867267831.db2.gz QKPXDKGHJYWEIR-ZDUSSCGKSA-N 1 0 321.381 1.384 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001334111554 867304611 /nfs/dbraw/zinc/30/46/11/867304611.db2.gz VQFUAHYIAXTKMY-NEPJUHHUSA-N 1 0 323.397 1.336 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2C[N@@H+](C)CCN2C)c1C ZINC001334414896 867552985 /nfs/dbraw/zinc/55/29/85/867552985.db2.gz HROWKMAQGYJQLQ-ZDUSSCGKSA-N 1 0 320.393 1.187 20 5 DDBDRO CCOC(=O)c1c(C[NH3+])ncn1-c1ncc(F)c(C)c1[N+](=O)[O-] ZINC001162532524 867612518 /nfs/dbraw/zinc/61/25/18/867612518.db2.gz SZRDDUWAOFLDHZ-UHFFFAOYSA-N 1 0 323.284 1.258 20 5 DDBDRO C[C@@H]1C[C@@H](CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C[NH2+]1 ZINC001162564141 867644932 /nfs/dbraw/zinc/64/49/32/867644932.db2.gz ZTNZLKPYRHYPBR-NXEZZACHSA-N 1 0 313.379 1.408 20 5 DDBDRO O=[N+]([O-])c1cc(NC[C@]2(F)CCCC[NH2+]C2)cn2cnnc12 ZINC001162587465 867664295 /nfs/dbraw/zinc/66/42/95/867664295.db2.gz RMLGOGQFOGMGFA-ZDUSSCGKSA-N 1 0 308.317 1.531 20 5 DDBDRO CCOc1cc([N+](=O)[O-])ccc1N[C@H]1COCCC12C[NH2+]C2 ZINC001163072510 868054949 /nfs/dbraw/zinc/05/49/49/868054949.db2.gz JFXCXRDWCVLUQI-AWEZNQCLSA-N 1 0 307.350 1.784 20 5 DDBDRO O=[N+]([O-])c1c(N[C@@H]2C[NH2+][C@@H]3COC[C@H]23)ccc2cnccc21 ZINC001163145678 868156397 /nfs/dbraw/zinc/15/63/97/868156397.db2.gz AWQZAGDXRPTZKM-MRVWCRGKSA-N 1 0 300.318 1.542 20 5 DDBDRO Nc1cc(-n2cnc(-c3ccc(C[NH3+])cc3)c2)ncc1[N+](=O)[O-] ZINC001163217756 868225558 /nfs/dbraw/zinc/22/55/58/868225558.db2.gz BOMXJIZLCZLRTB-UHFFFAOYSA-N 1 0 310.317 1.883 20 5 DDBDRO Cc1cncc([N+](=O)[O-])c1NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001322552433 868243147 /nfs/dbraw/zinc/24/31/47/868243147.db2.gz CVSLKDAHLTWUPF-ZDUSSCGKSA-N 1 0 308.382 1.633 20 5 DDBDRO O=C1C[C@@H]2[NH2+]CC[C@]2(Nc2cc3cccnc3c([N+](=O)[O-])c2)N1 ZINC001163252777 868261287 /nfs/dbraw/zinc/26/12/87/868261287.db2.gz IQKSIYPMIMWCPN-WFASDCNBSA-N 1 0 313.317 1.133 20 5 DDBDRO O=C1C[C@H]2[NH2+]CC[C@@]2(Nc2ccnc3c2cccc3[N+](=O)[O-])N1 ZINC001163254964 868266016 /nfs/dbraw/zinc/26/60/16/868266016.db2.gz VZIHDMHNMGRQLX-IUODEOHRSA-N 1 0 313.317 1.133 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(N[C@@H]2CCO[C@]3(CC[NH2+]C3)C2)n1 ZINC001163305810 868330731 /nfs/dbraw/zinc/33/07/31/868330731.db2.gz OUPFAQQLNDCQOX-QMTHXVAHSA-N 1 0 308.338 1.321 20 5 DDBDRO O=[N+]([O-])c1ccc(Cl)nc1N[C@@H]1CCO[C@@]2(CC[NH2+]C2)C1 ZINC001163322304 868350412 /nfs/dbraw/zinc/35/04/12/868350412.db2.gz HWKRAVGJEQQWDI-RNCFNFMXSA-N 1 0 312.757 1.966 20 5 DDBDRO [NH3+]CCCC[C@H](Nc1cccc([N+](=O)[O-])n1)C(=O)N1CCCC1 ZINC001163456354 868465254 /nfs/dbraw/zinc/46/52/54/868465254.db2.gz YJGFYTBHOBJKSL-LBPRGKRZSA-N 1 0 321.381 1.522 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H]2CCc3cncn3C2)c1 ZINC001335889533 868598656 /nfs/dbraw/zinc/59/86/56/868598656.db2.gz FNXPQUZHJJAOFB-DOMZBBRYSA-N 1 0 302.334 1.429 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CCCC(F)F)c1 ZINC001336307760 868858160 /nfs/dbraw/zinc/85/81/60/868858160.db2.gz IZIIDLSTGQJFSK-LLVKDONJSA-N 1 0 304.293 1.969 20 5 DDBDRO CN(c1ccc(C(C)(C)C)cc1[N+](=O)[O-])S(=O)(=O)CC[NH3+] ZINC001164296254 869096790 /nfs/dbraw/zinc/09/67/90/869096790.db2.gz BWPZWBUHKIRCJX-UHFFFAOYSA-N 1 0 315.395 1.617 20 5 DDBDRO C[N@@H+]1CCCC[C@@H]1CNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC001336746988 869121853 /nfs/dbraw/zinc/12/18/53/869121853.db2.gz YVHFRIWNOPJHIM-CYBMUJFWSA-N 1 0 321.377 1.964 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2[C@H]3Cc4ccccc4[C@@H]23)c1 ZINC001336853819 869184851 /nfs/dbraw/zinc/18/48/51/869184851.db2.gz JCBUYYXSJGCNQN-SLBVQIDZSA-N 1 0 314.345 1.080 20 5 DDBDRO [NH3+][C@H]1CN(C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)C[C@@H]1F ZINC001165118527 869387045 /nfs/dbraw/zinc/38/70/45/869387045.db2.gz ICMSWAIZZQDBBM-WDSKDSINSA-N 1 0 310.663 1.674 20 5 DDBDRO CC(=O)c1ccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)c(Cl)c1 ZINC001226231431 882295891 /nfs/dbraw/zinc/29/58/91/882295891.db2.gz JKHAZJBAQCCWEP-GFCCVEGCSA-N 1 0 314.789 1.905 20 5 DDBDRO C[NH+](C)C[C@]12C[C@H]1CN(c1cnc3cc([N+](=O)[O-])ccc3n1)C2 ZINC001165180979 869417237 /nfs/dbraw/zinc/41/72/37/869417237.db2.gz IQSBSAROTUHWJB-ZBEGNZNMSA-N 1 0 313.361 1.926 20 5 DDBDRO C[N@H+](C1CN(c2ncc(Cl)cc2[N+](=O)[O-])C1)[C@@H]1CCOC1 ZINC001165203810 869423991 /nfs/dbraw/zinc/42/39/91/869423991.db2.gz HEKYPVHCSAVGHH-SNVBAGLBSA-N 1 0 312.757 1.553 20 5 DDBDRO Cn1cc(N2CC[C@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3F)C2)cn1 ZINC001337382015 869461244 /nfs/dbraw/zinc/46/12/44/869461244.db2.gz RSLZKGISZPJMRV-LBPRGKRZSA-N 1 0 319.340 1.836 20 5 DDBDRO O=[N+]([O-])c1cc2ccccc2nc1N1CC[C@@H]2[NH2+]CCO[C@H]2C1 ZINC001165271044 869482494 /nfs/dbraw/zinc/48/24/94/869482494.db2.gz ORZHXJYXPVDFJW-ZFWWWQNUSA-N 1 0 314.345 1.710 20 5 DDBDRO CSc1nc(Cl)nc(N2C[C@@H]3C[C@]3([NH3+])C2)c1[N+](=O)[O-] ZINC001165312771 869512777 /nfs/dbraw/zinc/51/27/77/869512777.db2.gz BLXJIMABEGAHMO-RRAGMBSWSA-N 1 0 301.759 1.298 20 5 DDBDRO CN(C)/C=C/c1cc(N2CCC[C@H]3[NH2+]C[C@H]32)ncc1[N+](=O)[O-] ZINC001165396258 869566588 /nfs/dbraw/zinc/56/65/88/869566588.db2.gz ZKDHVQWAIVMKLF-RCOIXESOSA-N 1 0 303.366 1.463 20 5 DDBDRO COCc1nn(-c2ncc(Cl)cc2[N+](=O)[O-])c2c1C[NH2+]C2 ZINC001165632133 869660751 /nfs/dbraw/zinc/66/07/51/869660751.db2.gz NTBNVKANFYRVJI-UHFFFAOYSA-N 1 0 309.713 1.579 20 5 DDBDRO CC(C)[N@H+](CCO)CC1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC001337971094 869722055 /nfs/dbraw/zinc/72/20/55/869722055.db2.gz PJBZTZDCUNQIQA-UHFFFAOYSA-N 1 0 322.409 1.909 20 5 DDBDRO CCC(C)(C)[NH+]1CCN(c2nnc(CCC[N+](=O)[O-])n2C)CC1 ZINC001338175302 869852247 /nfs/dbraw/zinc/85/22/47/869852247.db2.gz ZMRVKKMBNASVAO-UHFFFAOYSA-N 1 0 324.429 1.335 20 5 DDBDRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2N)C1 ZINC001166444186 870001317 /nfs/dbraw/zinc/00/13/17/870001317.db2.gz JRRINFJXYQBHHL-JTQLQIEISA-N 1 0 306.366 1.780 20 5 DDBDRO Cc1nc(-n2ccc([C@H]3CCC[NH2+]3)nc2=N)ccc1[N+](=O)[O-] ZINC001166700201 870168796 /nfs/dbraw/zinc/16/87/96/870168796.db2.gz JDNYFZIKDOLMKG-SNVBAGLBSA-N 1 0 300.322 1.388 20 5 DDBDRO COC(=O)C1(Nc2cccc(OC)c2[N+](=O)[O-])CC[NH2+]CC1 ZINC001166955301 870417563 /nfs/dbraw/zinc/41/75/63/870417563.db2.gz ZADPESPXBZWTCC-UHFFFAOYSA-N 1 0 309.322 1.311 20 5 DDBDRO CCOc1nc(N2CC[C@H]([NH3+])C(F)(F)C2)ccc1[N+](=O)[O-] ZINC001166958590 870419951 /nfs/dbraw/zinc/41/99/51/870419951.db2.gz GAVHYUDGIVUVTR-VIFPVBQESA-N 1 0 302.281 1.561 20 5 DDBDRO [NH3+][C@H]1CCN(c2ncnc3ccc([N+](=O)[O-])cc32)CC1(F)F ZINC001166962893 870427350 /nfs/dbraw/zinc/42/73/50/870427350.db2.gz ZIOLUZYGCFBYFM-NSHDSACASA-N 1 0 309.276 1.711 20 5 DDBDRO CSCC[C@H]([NH3+])CC(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC001339940686 870796961 /nfs/dbraw/zinc/79/69/61/870796961.db2.gz YZMZSWGXTWBPAJ-JTQLQIEISA-N 1 0 309.391 1.954 20 5 DDBDRO COC(=O)[C@]1(C[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)CCOC1 ZINC001204104217 870939155 /nfs/dbraw/zinc/93/91/55/870939155.db2.gz OYDRTIZDZBKBLX-HNNXBMFYSA-N 1 0 324.333 1.273 20 5 DDBDRO CC[C@H](CNS(C)(=O)=O)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC001308410533 871498631 /nfs/dbraw/zinc/49/86/31/871498631.db2.gz ROQRQCXYLWJSCZ-GFCCVEGCSA-N 1 0 315.395 1.321 20 5 DDBDRO NC(=O)[C@@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC001205614118 871660876 /nfs/dbraw/zinc/66/08/76/871660876.db2.gz CDIXNUDXOZOTSW-YIZWMMSDSA-N 1 0 315.333 1.311 20 5 DDBDRO Cc1c(CC(=O)N2CCC3(C[NH2+]C3)CC2)cccc1[N+](=O)[O-] ZINC001342078104 871992077 /nfs/dbraw/zinc/99/20/77/871992077.db2.gz SELLNFOWYJRAHB-UHFFFAOYSA-N 1 0 303.362 1.658 20 5 DDBDRO C[C@@H]1CN(C(=O)COc2ccccc2[N+](=O)[O-])CC[C@H]1C[NH3+] ZINC001342740315 872361730 /nfs/dbraw/zinc/36/17/30/872361730.db2.gz LBOAMBJLCADRSF-NEPJUHHUSA-N 1 0 307.350 1.417 20 5 DDBDRO COc1ccc(CC(=O)N[C@@H]2C[NH2+]CC2(C)C)cc1[N+](=O)[O-] ZINC001345382259 873382491 /nfs/dbraw/zinc/38/24/91/873382491.db2.gz UXLGJQYGECGYMS-CYBMUJFWSA-N 1 0 307.350 1.260 20 5 DDBDRO Cc1cc(NC(=O)[C@]23C[NH2+]C[C@H]2CCOC3)cc([N+](=O)[O-])c1 ZINC001346502990 873778640 /nfs/dbraw/zinc/77/86/40/873778640.db2.gz ALGFMHKDVKEOLP-ABAIWWIYSA-N 1 0 305.334 1.468 20 5 DDBDRO Cc1cncc([N+](=O)[O-])c1N1CCC([N@@H+]2CCCOCC2)CC1 ZINC001347251250 874071985 /nfs/dbraw/zinc/07/19/85/874071985.db2.gz CLVWMWZJPNUHDJ-UHFFFAOYSA-N 1 0 320.393 1.989 20 5 DDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C/C=C/C2CC2)cc1 ZINC001348972275 874902653 /nfs/dbraw/zinc/90/26/53/874902653.db2.gz ITADSDSUWLAXLJ-OWOJBTEDSA-N 1 0 310.375 1.924 20 5 DDBDRO CN1CCCC[C@@H]1C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC001353259718 877216163 /nfs/dbraw/zinc/21/61/63/877216163.db2.gz KJBICDVULAKXEJ-HUUCEWRRSA-N 1 0 323.393 1.408 20 5 DDBDRO O=C(CCc1c(Cl)cccc1[N+](=O)[O-])N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001357475158 879988349 /nfs/dbraw/zinc/98/83/49/879988349.db2.gz UPYPQELSZGOULS-MSRIBSCDSA-N 1 0 309.753 1.515 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC3(C[NH2+]C3)CC2)c1 ZINC001357811150 880210474 /nfs/dbraw/zinc/21/04/74/880210474.db2.gz PJBJWXWNAXQGAG-UHFFFAOYSA-N 1 0 305.334 1.429 20 5 DDBDRO CC1(C)CN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)C[C@H]1[NH3+] ZINC001358131256 880341521 /nfs/dbraw/zinc/34/15/21/880341521.db2.gz PANNQOGYONXJSB-GFCCVEGCSA-N 1 0 311.313 1.308 20 5 DDBDRO C[NH+]1CCC(O[C@@H](C[N+](=O)[O-])c2ccc3c(c2)OCO3)CC1 ZINC001222508885 880524102 /nfs/dbraw/zinc/52/41/02/880524102.db2.gz DWTQQGGBBQHDMT-HNNXBMFYSA-N 1 0 308.334 1.844 20 5 DDBDRO COC(=O)c1ccc(CO[C@@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC001223413080 880951193 /nfs/dbraw/zinc/95/11/93/880951193.db2.gz ILRIEJCUYIUGRM-CYBMUJFWSA-N 1 0 308.334 1.992 20 5 DDBDRO O=c1[nH]cnc(O[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC001228144380 883363802 /nfs/dbraw/zinc/36/38/02/883363802.db2.gz TVHKOZYBBPUDHK-GFCCVEGCSA-N 1 0 316.317 1.744 20 5 DDBDRO COc1cc(CC[N+](=O)[O-])ccc1O[C@@H]1C[NH+]2CCC1CC2 ZINC001233988618 887528158 /nfs/dbraw/zinc/52/81/58/887528158.db2.gz WCNQACMYFANGLO-MRXNPFEDSA-N 1 0 306.362 1.987 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc(F)c(Cl)c1F ZINC001234315279 887853777 /nfs/dbraw/zinc/85/37/77/887853777.db2.gz OWDWEWGNKMXREX-MRVPVSSYSA-N 1 0 308.732 1.981 20 5 DDBDRO CCOC(=O)C1=C(N[C@H](C)Cc2ccccc2[N+](=O)[O-])C[NH2+]C1 ZINC001246348394 892557627 /nfs/dbraw/zinc/55/76/27/892557627.db2.gz GTLOESVXTZWPAZ-LLVKDONJSA-N 1 0 319.361 1.536 20 5 DDBDRO CC(=O)NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CCOCC1 ZINC001278693829 895616072 /nfs/dbraw/zinc/61/60/72/895616072.db2.gz QUFTVPNBVXRBPI-UHFFFAOYSA-N 1 0 307.350 1.370 20 5 DDBDRO CCOC(=O)[C@H](CCC[NH3+])N[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254538212 896494322 /nfs/dbraw/zinc/49/43/22/896494322.db2.gz RKEKZAXINMJCHL-OCCSQVGLSA-N 1 0 323.393 1.786 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1C[C@@H](S(C)(=O)=O)C1 ZINC001254538079 896494609 /nfs/dbraw/zinc/49/46/09/896494609.db2.gz OLCLUILOAAKXLT-RTXFEEFZSA-N 1 0 312.391 1.691 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](O)[C@@](C)(CO)C1 ZINC001254553816 896499609 /nfs/dbraw/zinc/49/96/09/896499609.db2.gz ZQALIKTUIKTVQP-DAXOMENPSA-N 1 0 308.378 1.591 20 5 DDBDRO CNC(=O)NC1CC[NH+]([C@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001254568514 896505544 /nfs/dbraw/zinc/50/55/44/896505544.db2.gz GMLVTFWHANAZBH-GFCCVEGCSA-N 1 0 320.393 1.919 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N1CC[NH+](CC(C)(C)O)CC1 ZINC001254571308 896509388 /nfs/dbraw/zinc/50/93/88/896509388.db2.gz SDUAMFOHEJOOGL-CQSZACIVSA-N 1 0 321.421 1.914 20 5 DDBDRO O=C(NCCNc1ccc([N+](=O)[O-])cc1)C12CCC[NH+]1CCC2 ZINC000351788987 897357894 /nfs/dbraw/zinc/35/78/94/897357894.db2.gz DDEUBTHIMHNNRI-UHFFFAOYSA-N 1 0 318.377 1.751 20 5 DDBDRO Nc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001293153071 914284884 /nfs/dbraw/zinc/28/48/84/914284884.db2.gz CJAWGHWNUDPRGH-CYBMUJFWSA-N 1 0 318.377 1.877 20 5 DDBDRO CCn1c(CCC[N+](=O)[O-])nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001263008992 900466663 /nfs/dbraw/zinc/46/66/63/900466663.db2.gz NBBJSOMZAAYKHF-UHFFFAOYSA-N 1 0 324.429 1.428 20 5 DDBDRO C[N@@H+]1CCCC[C@H]1CNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC001263094412 900492996 /nfs/dbraw/zinc/49/29/96/900492996.db2.gz GFABFLMPVFRACR-HNNXBMFYSA-N 1 0 320.393 1.921 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001263213849 900536851 /nfs/dbraw/zinc/53/68/51/900536851.db2.gz DRSUWNBOXGTWMT-QWRGUYRKSA-N 1 0 307.350 1.660 20 5 DDBDRO O=C(c1ccccc1[N+](=O)[O-])N1CCC(OC2C[NH2+]C2)CC1 ZINC001263283306 900555166 /nfs/dbraw/zinc/55/51/66/900555166.db2.gz WGMRXQYUGHKFQT-UHFFFAOYSA-N 1 0 305.334 1.188 20 5 DDBDRO CC[N@@H+]1C[C@H](C)N(c2nnc(C[N+](=O)[O-])n2CC2CC2)C[C@H]1C ZINC001263676061 900668317 /nfs/dbraw/zinc/66/83/17/900668317.db2.gz FYMXXAPGPJEQQC-NEPJUHHUSA-N 1 0 322.413 1.384 20 5 DDBDRO O=C(Cc1ccccc1[N+](=O)[O-])NC[C@@]12CC[N@H+](C1)CCC2 ZINC001263859559 900776771 /nfs/dbraw/zinc/77/67/71/900776771.db2.gz QOHUUFBPXDIOBS-MRXNPFEDSA-N 1 0 303.362 1.739 20 5 DDBDRO CCC[N@H+](C)CC(=O)NCCN(C)c1ccccc1[N+](=O)[O-] ZINC001316594238 903194847 /nfs/dbraw/zinc/19/48/47/903194847.db2.gz SBGABSMXPSVUPI-UHFFFAOYSA-N 1 0 308.382 1.489 20 5 DDBDRO COc1ccc(NC(=O)C[C@]2(O)CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC001295474643 915832975 /nfs/dbraw/zinc/83/29/75/915832975.db2.gz GKDJMSGNEMXKBT-OAHLLOKOSA-N 1 0 323.349 1.389 20 5 DDBDRO C[NH+](C)CCN(Cc1ccccn1)c1ncccc1[N+](=O)[O-] ZINC000433425144 282097223 /nfs/dbraw/zinc/09/72/23/282097223.db2.gz VNLCAIGPWHGSQX-UHFFFAOYSA-N 1 0 301.350 1.953 20 5 DDBDRO C[N@@H+]1CCCC12CCN(C(=O)c1ccnc(N)c1[N+](=O)[O-])CC2 ZINC000579242789 422733095 /nfs/dbraw/zinc/73/30/95/422733095.db2.gz LZLWRZXPUDCIRL-UHFFFAOYSA-N 1 0 319.365 1.272 20 5 DDBDRO CC[NH+](CC)CCNS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000076825461 185045540 /nfs/dbraw/zinc/04/55/40/185045540.db2.gz ZVQTYFQTOKRVAB-UHFFFAOYSA-N 1 0 315.395 1.523 20 5 DDBDRO COc1ccc(C(=O)N[C@@H]2CCC[C@H]2[NH+](C)C)cc1[N+](=O)[O-] ZINC000614710979 361985995 /nfs/dbraw/zinc/98/59/95/361985995.db2.gz ASXFSYLJVURGIL-VXGBXAGGSA-N 1 0 307.350 1.816 20 5 DDBDRO COC[C@]1(CO)CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000451925624 231236636 /nfs/dbraw/zinc/23/66/36/231236636.db2.gz LDZHPZPYBIMJSJ-OAHLLOKOSA-N 1 0 310.350 1.304 20 5 DDBDRO CC[C@@H]1[C@H](CO)CC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000451250278 529485191 /nfs/dbraw/zinc/48/51/91/529485191.db2.gz DEJJOPRJGSIONL-SWLSCSKDSA-N 1 0 321.377 1.650 20 5 DDBDRO Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2CCCO)cc1[N+](=O)[O-] ZINC000452351189 231356703 /nfs/dbraw/zinc/35/67/03/231356703.db2.gz PHCQTEBMJXTKMZ-AWEZNQCLSA-N 1 0 321.377 1.480 20 5 DDBDRO CC[C@@]1(CO)CCC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000252013755 282208024 /nfs/dbraw/zinc/20/80/24/282208024.db2.gz XXJNXROHGCNSKT-ZBFHGGJFSA-N 1 0 324.377 1.571 20 5 DDBDRO CC[C@H]([NH2+]C[C@H](O)COCCOC)c1cccc([N+](=O)[O-])c1 ZINC000295006334 529618986 /nfs/dbraw/zinc/61/89/86/529618986.db2.gz OTMDUFWOXRYANU-GJZGRUSLSA-N 1 0 312.366 1.659 20 5 DDBDRO C[NH+](C)C[C@@H]1CN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)CCO1 ZINC000255880875 282283405 /nfs/dbraw/zinc/28/34/05/282283405.db2.gz RUSADUNWBDLOBQ-IDTUSYRASA-N 1 0 319.361 1.397 20 5 DDBDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)Cc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000425047011 529821933 /nfs/dbraw/zinc/82/19/33/529821933.db2.gz LWTXKYIIAAQFER-DZGCQCFKSA-N 1 0 303.362 1.690 20 5 DDBDRO Cc1ccc(S(=O)(=O)N2CC[C@H]([NH3+])C[C@@H]2C)cc1[N+](=O)[O-] ZINC000156135659 290707601 /nfs/dbraw/zinc/70/76/01/290707601.db2.gz UIUKHILBNQABIW-QWRGUYRKSA-N 1 0 313.379 1.404 20 5 DDBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCc1nnnn1C ZINC000615727261 362417588 /nfs/dbraw/zinc/41/75/88/362417588.db2.gz FSTTUWZZTBYBPD-DHZHZOJOSA-N 1 0 302.338 1.354 20 5 DDBDRO C[NH2+]C[C@H]1CCCN1C(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000417174771 530002697 /nfs/dbraw/zinc/00/26/97/530002697.db2.gz IIIJTGKFTMOHFS-CYBMUJFWSA-N 1 0 322.365 1.497 20 5 DDBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]Cc1ccn(C)n1 ZINC000358272058 299111945 /nfs/dbraw/zinc/11/19/45/299111945.db2.gz ZAHQUCSCTOCPFR-NSHDSACASA-N 1 0 317.349 1.835 20 5 DDBDRO C[NH+]1CCC(NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000294600185 530050094 /nfs/dbraw/zinc/05/00/94/530050094.db2.gz ZCYRCJIQQRKRCD-UHFFFAOYSA-N 1 0 319.361 1.768 20 5 DDBDRO C[N@@H+]1CCCN(C(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000491874425 530053139 /nfs/dbraw/zinc/05/31/39/530053139.db2.gz VODGKKADEZEMHZ-GQCTYLIASA-N 1 0 307.325 1.911 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000297137771 282369833 /nfs/dbraw/zinc/36/98/33/282369833.db2.gz UQFDSESQEWCHAB-YOGCLGLASA-N 1 0 319.361 1.958 20 5 DDBDRO Cc1nn(C)c(C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)c1[N+](=O)[O-] ZINC000330780625 232062090 /nfs/dbraw/zinc/06/20/90/232062090.db2.gz XEMGCJOGLCJIGR-SECBINFHSA-N 1 0 307.354 1.017 20 5 DDBDRO Cc1cc(NC(=O)c2nn(C)cc2[N+](=O)[O-])ccc1C[NH+](C)C ZINC000458278483 232323840 /nfs/dbraw/zinc/32/38/40/232323840.db2.gz IWDNMRRXJFYODN-UHFFFAOYSA-N 1 0 317.349 1.951 20 5 DDBDRO CC(C)C[C@@H](C[NH3+])NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000111830191 185639941 /nfs/dbraw/zinc/63/99/41/185639941.db2.gz IACDSGXYOXHCFX-JTQLQIEISA-N 1 0 301.368 1.247 20 5 DDBDRO CC(C)(C(=O)NCC1(C)CC[NH2+]CC1)n1cc([N+](=O)[O-])cn1 ZINC000342620948 282593565 /nfs/dbraw/zinc/59/35/65/282593565.db2.gz QEAQZIYJCDPNGN-UHFFFAOYSA-N 1 0 309.370 1.032 20 5 DDBDRO COCC[N@@H+]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000048428426 352539995 /nfs/dbraw/zinc/53/99/95/352539995.db2.gz MXIZDPGZYJTROG-UHFFFAOYSA-N 1 0 307.350 1.389 20 5 DDBDRO Nc1nc(N2CC[NH+](C3CCCCC3)CC2)ncc1[N+](=O)[O-] ZINC000152435955 186072406 /nfs/dbraw/zinc/07/24/06/186072406.db2.gz YKUQPAUJGSVQJQ-UHFFFAOYSA-N 1 0 306.370 1.422 20 5 DDBDRO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@@H](OCCO)C2)cc1 ZINC000172301748 198075185 /nfs/dbraw/zinc/07/51/85/198075185.db2.gz MQRJJVOQAJXYIA-OAHLLOKOSA-N 1 0 310.350 1.447 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NCC1=CC[N@H+](C)CC1 ZINC000277188957 213354297 /nfs/dbraw/zinc/35/42/97/213354297.db2.gz BGMLLOKHGIBPEC-UHFFFAOYSA-N 1 0 305.334 1.595 20 5 DDBDRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000032267687 352276786 /nfs/dbraw/zinc/27/67/86/352276786.db2.gz GOQUXCYIENCYNE-NSHDSACASA-N 1 0 311.338 1.274 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)n1 ZINC000331725255 234049087 /nfs/dbraw/zinc/04/90/87/234049087.db2.gz MPZRHBFUMSRBSC-QWRGUYRKSA-N 1 0 307.354 1.168 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@H]3CCCC[C@H]32)c1 ZINC000331773881 234107050 /nfs/dbraw/zinc/10/70/50/234107050.db2.gz KWJAWZSCYDCDRB-BPLDGKMQSA-N 1 0 308.382 1.807 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NCC[NH+]1CCCCC1 ZINC000046855576 352465746 /nfs/dbraw/zinc/46/57/46/352465746.db2.gz QAVDBQNBKBQUMN-UHFFFAOYSA-N 1 0 307.350 1.819 20 5 DDBDRO Cc1nn(C)c(C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000172831562 198155587 /nfs/dbraw/zinc/15/55/87/198155587.db2.gz OLTQPEBYUCUXOC-LBPRGKRZSA-N 1 0 323.397 1.583 20 5 DDBDRO C[C@@H]1CCC[N@H+](CCNC(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000047145553 352484215 /nfs/dbraw/zinc/48/42/15/352484215.db2.gz LLENYMKGDNZZHQ-LLVKDONJSA-N 1 0 306.366 1.639 20 5 DDBDRO C[C@H](CNC(=O)COc1cccc([N+](=O)[O-])c1)[N@H+](C)C1CC1 ZINC000057710414 352826028 /nfs/dbraw/zinc/82/60/28/352826028.db2.gz AVAGEZWSUPWORZ-LLVKDONJSA-N 1 0 307.350 1.573 20 5 DDBDRO C[C@@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC000173145219 198188618 /nfs/dbraw/zinc/18/86/18/198188618.db2.gz HPOHLJHUCGLPFR-ZDUSSCGKSA-N 1 0 305.378 1.985 20 5 DDBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000057159661 352802387 /nfs/dbraw/zinc/80/23/87/352802387.db2.gz XIYBSZJHIJRCLO-GFCCVEGCSA-N 1 0 307.350 1.818 20 5 DDBDRO CC[NH+](CC)CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000060553221 352875557 /nfs/dbraw/zinc/87/55/57/352875557.db2.gz PXGZXFNQODDURK-UHFFFAOYSA-N 1 0 323.349 1.438 20 5 DDBDRO CC[C@H](C)[N@H+](C)CCNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000066138049 352979035 /nfs/dbraw/zinc/97/90/35/352979035.db2.gz GUHNYHOFIIZCHO-LBPRGKRZSA-N 1 0 309.366 1.820 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCCCC[NH+]1CCOCC1 ZINC000067165634 353037235 /nfs/dbraw/zinc/03/72/35/353037235.db2.gz ZKPGVHYUIZWDGK-UHFFFAOYSA-N 1 0 321.377 1.745 20 5 DDBDRO O=[N+]([O-])c1ccccc1CN1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000066564580 353004525 /nfs/dbraw/zinc/00/45/25/353004525.db2.gz VOPOSEVBUBLQGE-OAHLLOKOSA-N 1 0 305.378 1.891 20 5 DDBDRO CC(C)[NH+]1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000067725776 353064869 /nfs/dbraw/zinc/06/48/69/353064869.db2.gz BJKMOTNADLAEHG-UHFFFAOYSA-N 1 0 306.366 1.830 20 5 DDBDRO CC(=O)NC[C@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000067413289 353047773 /nfs/dbraw/zinc/04/77/73/353047773.db2.gz WBUCLYVHMDQEET-OAHLLOKOSA-N 1 0 305.378 1.985 20 5 DDBDRO COC[C@](C)(O)C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000069912491 353175817 /nfs/dbraw/zinc/17/58/17/353175817.db2.gz WMZFYFNAWVUQDY-CYBMUJFWSA-N 1 0 320.292 1.683 20 5 DDBDRO C[NH+](C)CCn1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000072246938 353194897 /nfs/dbraw/zinc/19/48/97/353194897.db2.gz WSXDNFGTIOIHHF-UHFFFAOYSA-N 1 0 303.322 1.605 20 5 DDBDRO COc1cc(C(=O)N[C@@H](C)C[NH+](C)C)c([N+](=O)[O-])cc1OC ZINC000287256537 219410295 /nfs/dbraw/zinc/41/02/95/219410295.db2.gz RGZHUBRSKVGPBA-VIFPVBQESA-N 1 0 311.338 1.292 20 5 DDBDRO CCN1CC[NH+](C[C@H](C)CNc2cc(C)c([N+](=O)[O-])cn2)CC1 ZINC000074741738 353327706 /nfs/dbraw/zinc/32/77/06/353327706.db2.gz AFSOFAUEUNBHOT-CYBMUJFWSA-N 1 0 321.425 1.984 20 5 DDBDRO CCCNC(=O)C1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000174815388 198388394 /nfs/dbraw/zinc/38/83/94/198388394.db2.gz LLEYCADRVNWBCA-UHFFFAOYSA-N 1 0 309.370 1.030 20 5 DDBDRO O=C(c1ccc([N+](=O)[O-])o1)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000078203728 353505168 /nfs/dbraw/zinc/50/51/68/353505168.db2.gz DUQVIHZZTVSCAF-QJPTWQEYSA-N 1 0 305.334 1.744 20 5 DDBDRO CNc1ccc(C(=O)NC2CC[NH+](C3CC3)CC2)cc1[N+](=O)[O-] ZINC000078671329 353527259 /nfs/dbraw/zinc/52/72/59/353527259.db2.gz BFRFFYZTACNBFY-UHFFFAOYSA-N 1 0 318.377 1.993 20 5 DDBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC[N@@H+](C2CCOCC2)CC1 ZINC000077990383 353500491 /nfs/dbraw/zinc/50/04/91/353500491.db2.gz BCRVLCQVOBYTBJ-UHFFFAOYSA-N 1 0 320.393 1.989 20 5 DDBDRO NC(=O)C[C@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000083217007 353708328 /nfs/dbraw/zinc/70/83/28/353708328.db2.gz ZIBXUOZFOJZCET-SNVBAGLBSA-N 1 0 318.333 1.823 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000108298462 353949356 /nfs/dbraw/zinc/94/93/56/353949356.db2.gz MEFMCXJHEGMDSU-CYBMUJFWSA-N 1 0 321.381 1.090 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H]([NH3+])C[C@H]1C ZINC000228343091 354322473 /nfs/dbraw/zinc/32/24/73/354322473.db2.gz GFMGDZJFQSJEEN-MNOVXSKESA-N 1 0 313.379 1.404 20 5 DDBDRO [NH3+][C@H](CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)C1CC1 ZINC000261916120 354391096 /nfs/dbraw/zinc/39/10/96/354391096.db2.gz HYFNPFISRWSSSN-CQSZACIVSA-N 1 0 315.333 1.248 20 5 DDBDRO NC(=O)N[C@H]1CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000270623443 354408151 /nfs/dbraw/zinc/40/81/51/354408151.db2.gz KHPOTJDWTHBITP-NSHDSACASA-N 1 0 308.338 1.106 20 5 DDBDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000357244415 291030440 /nfs/dbraw/zinc/03/04/40/291030440.db2.gz ZZUAFFIVDWGYHY-GHMZBOCLSA-N 1 0 321.381 1.764 20 5 DDBDRO C[NH+](C)[C@@H]1CCCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000332285311 234752260 /nfs/dbraw/zinc/75/22/60/234752260.db2.gz YUKJSKRFHLFCSG-GFCCVEGCSA-N 1 0 303.366 1.997 20 5 DDBDRO C[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000320802880 354529322 /nfs/dbraw/zinc/52/93/22/354529322.db2.gz PTKUDCSIFGVFKT-OLZOCXBDSA-N 1 0 318.377 1.241 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(N2CC[NH+](CC(C)(C)O)CC2)c1 ZINC000316906787 354507011 /nfs/dbraw/zinc/50/70/11/354507011.db2.gz FEPDLELTSPLMBP-UHFFFAOYSA-N 1 0 309.366 1.496 20 5 DDBDRO CC(C)[NH2+][C@@H]1CCCN(c2cc(N)c([N+](=O)[O-])c(CO)c2)C1 ZINC000587626437 354884047 /nfs/dbraw/zinc/88/40/47/354884047.db2.gz RJCDXLBFAFEYIO-GFCCVEGCSA-N 1 0 308.382 1.636 20 5 DDBDRO CCn1c(C)nc([N+](=O)[O-])c1Nc1cnn(CC[NH+](C)C)c1 ZINC000588816422 354938507 /nfs/dbraw/zinc/93/85/07/354938507.db2.gz SAMKWIHZYNUERZ-UHFFFAOYSA-N 1 0 307.358 1.621 20 5 DDBDRO CC[C@@H](C[NH+]1CCCC1)Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000589573639 355002071 /nfs/dbraw/zinc/00/20/71/355002071.db2.gz ZEOGBJMDDMEFMR-JTQLQIEISA-N 1 0 307.354 1.375 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H]1CCO[C@@H]1C1CC1 ZINC000494470540 235039524 /nfs/dbraw/zinc/03/95/24/235039524.db2.gz FWWWWMUBQGVYTM-BLLLJJGKSA-N 1 0 319.361 1.999 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@H](CCO)C(C)C)c1 ZINC000589506566 354997872 /nfs/dbraw/zinc/99/78/72/354997872.db2.gz DEQQSRXZNYKLNR-CYBMUJFWSA-N 1 0 310.350 1.878 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@@H]([C@H](C)O)C2)c1 ZINC000589510629 354997952 /nfs/dbraw/zinc/99/79/52/354997952.db2.gz BIRNOFJFECCVKQ-WCQYABFASA-N 1 0 322.361 1.974 20 5 DDBDRO COc1ccc(OCCN2CC[C@@H]3C[N@H+](C)C[C@@H]32)c([N+](=O)[O-])c1 ZINC000590010308 355038896 /nfs/dbraw/zinc/03/88/96/355038896.db2.gz AUZNHXZRCRARHM-DOMZBBRYSA-N 1 0 321.377 1.618 20 5 DDBDRO CCCc1n[nH]c(C(=O)N2CC[C@H]([NH+](C)C)[C@H]2C)c1[N+](=O)[O-] ZINC000590403324 355085422 /nfs/dbraw/zinc/08/54/22/355085422.db2.gz KSBNHEGZLQRNQW-KOLCDFICSA-N 1 0 309.370 1.435 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]([NH+](C)C)[C@@H]2C)c1 ZINC000590566886 355114907 /nfs/dbraw/zinc/11/49/07/355114907.db2.gz RSCZECFOEAAQNN-GWCFXTLKSA-N 1 0 307.350 1.768 20 5 DDBDRO CC[N@H+](C)C[C@@H]1CCN(c2nccc(C(=O)OC)c2[N+](=O)[O-])C1 ZINC000590578390 355119599 /nfs/dbraw/zinc/11/95/99/355119599.db2.gz QGXVUBXBHPFXAY-NSHDSACASA-N 1 0 322.365 1.554 20 5 DDBDRO CCCc1n[nH]c(C(=O)N2CC[C@@H]3C[N@H+](C)C[C@H]32)c1[N+](=O)[O-] ZINC000590442882 355096366 /nfs/dbraw/zinc/09/63/66/355096366.db2.gz HRYNJIYFQBPIJK-MWLCHTKSSA-N 1 0 307.354 1.047 20 5 DDBDRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000590445470 355098900 /nfs/dbraw/zinc/09/89/00/355098900.db2.gz MYSYZPLZJCWVOV-BONVTDFDSA-N 1 0 314.345 1.852 20 5 DDBDRO C[C@H](CCCO)C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000590655156 355138764 /nfs/dbraw/zinc/13/87/64/355138764.db2.gz BAQCYBSOHLTTKE-LLVKDONJSA-N 1 0 310.350 1.864 20 5 DDBDRO CC(C)C[N@@H+]1CCO[C@@H](CNc2ncc([N+](=O)[O-])cc2F)C1 ZINC000591136852 355253439 /nfs/dbraw/zinc/25/34/39/355253439.db2.gz MCVCAIJETWOSNT-LBPRGKRZSA-N 1 0 312.345 1.898 20 5 DDBDRO C[C@H]([NH3+])[C@H]1CN(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000591344134 355293693 /nfs/dbraw/zinc/29/36/93/355293693.db2.gz JXMGJNJITJPWCT-COPLHBTASA-N 1 0 322.365 1.413 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000591298577 355283260 /nfs/dbraw/zinc/28/32/60/355283260.db2.gz FZJLKPFCDQTFIJ-FZMZJTMJSA-N 1 0 322.365 1.792 20 5 DDBDRO COc1ccc(NC(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000591297600 355283403 /nfs/dbraw/zinc/28/34/03/355283403.db2.gz ARAJHMRKGMICAG-RNCFNFMXSA-N 1 0 324.337 1.183 20 5 DDBDRO CO[C@@H](C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000591722883 355370966 /nfs/dbraw/zinc/37/09/66/355370966.db2.gz AOJFGLCJMMEANI-GJZGRUSLSA-N 1 0 320.349 1.130 20 5 DDBDRO Cc1n[nH]c(C(=O)N2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1[N+](=O)[O-] ZINC000591893465 355414782 /nfs/dbraw/zinc/41/47/82/355414782.db2.gz YKEJWFKTCDVTSV-WDEREUQCSA-N 1 0 307.354 1.231 20 5 DDBDRO Cc1cc(N2CN(CC[NH+](C)C)C(=O)[C@H]2C)ccc1[N+](=O)[O-] ZINC000591981537 355453310 /nfs/dbraw/zinc/45/33/10/355453310.db2.gz CFUGBCVTVDXIGT-GFCCVEGCSA-N 1 0 306.366 1.459 20 5 DDBDRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 ZINC000592331206 355560625 /nfs/dbraw/zinc/56/06/25/355560625.db2.gz OIONORLUAFVZCC-ZJUUUORDSA-N 1 0 321.333 1.366 20 5 DDBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000592528259 355614018 /nfs/dbraw/zinc/61/40/18/355614018.db2.gz HBCQOTQBTKLGOH-FICVDOATSA-N 1 0 303.362 1.499 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NCC[NH2+]C2CC2)c1 ZINC000592367027 355568656 /nfs/dbraw/zinc/56/86/56/355568656.db2.gz NONPFWAAJXPNIP-UHFFFAOYSA-N 1 0 313.379 1.242 20 5 DDBDRO [NH3+][C@H]1C[C@@H](NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000592382404 355571937 /nfs/dbraw/zinc/57/19/37/355571937.db2.gz RLJZRRYXKGPFHY-KNVOCYPGSA-N 1 0 305.743 1.016 20 5 DDBDRO COC[C@@H]1C[C@@H](O)C[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000593062201 355784036 /nfs/dbraw/zinc/78/40/36/355784036.db2.gz CDPHQUFCFPNGCX-NWDGAFQWSA-N 1 0 323.349 1.005 20 5 DDBDRO NC(=O)c1ccc(C[N@@H+]2CC[C@@]3(CC3(F)F)C2)c([N+](=O)[O-])c1 ZINC000593117431 355804642 /nfs/dbraw/zinc/80/46/42/355804642.db2.gz NEKHSHXTSGFEIB-CYBMUJFWSA-N 1 0 311.288 1.925 20 5 DDBDRO CN(C(=O)Cc1ccc(F)cc1[N+](=O)[O-])[C@H]1C[NH+]2CCC1CC2 ZINC000593461968 355892728 /nfs/dbraw/zinc/89/27/28/355892728.db2.gz WRDSXYRFASZFSX-HNNXBMFYSA-N 1 0 321.352 1.829 20 5 DDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CC[C@]2(O)CCOC2)n1 ZINC000593721311 355976422 /nfs/dbraw/zinc/97/64/22/355976422.db2.gz PCMOVEDCULEUNC-NFAWXSAZSA-N 1 0 324.381 1.406 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NCCC1(C[NH3+])CC1 ZINC000593758959 355989132 /nfs/dbraw/zinc/98/91/32/355989132.db2.gz QHNNWNNJTZZHBF-UHFFFAOYSA-N 1 0 308.338 1.854 20 5 DDBDRO O=C(COc1cccc([N+](=O)[O-])c1)NCCC1CC[NH2+]CC1 ZINC000593919083 356060223 /nfs/dbraw/zinc/06/02/23/356060223.db2.gz NPZNPNNPLDVVCR-UHFFFAOYSA-N 1 0 307.350 1.480 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)NCCC2CC[NH2+]CC2)c1 ZINC000593918432 356060608 /nfs/dbraw/zinc/06/06/08/356060608.db2.gz DEGWVUVGOALYFN-UHFFFAOYSA-N 1 0 307.350 1.723 20 5 DDBDRO C[C@@H](O)C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000594065805 356104096 /nfs/dbraw/zinc/10/40/96/356104096.db2.gz UZHSQUVKMKCUQO-LLVKDONJSA-N 1 0 307.350 1.769 20 5 DDBDRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000594226241 356145032 /nfs/dbraw/zinc/14/50/32/356145032.db2.gz JARPLPVMQQHBOY-XBXGTLAGSA-N 1 0 306.366 1.734 20 5 DDBDRO CC(C)([NH3+])c1nocc1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000594433359 356212115 /nfs/dbraw/zinc/21/21/15/356212115.db2.gz OJCWMZCZJQNIOJ-UHFFFAOYSA-N 1 0 318.333 1.749 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000236823964 202027388 /nfs/dbraw/zinc/02/73/88/202027388.db2.gz WFXKJSDZBRPZPI-GFCCVEGCSA-N 1 0 311.386 1.322 20 5 DDBDRO C[C@H](C[NH3+])n1cc(CNC(=O)Nc2ccccc2[N+](=O)[O-])nn1 ZINC000594651353 356275108 /nfs/dbraw/zinc/27/51/08/356275108.db2.gz CGZJFWUGJFVDGT-SECBINFHSA-N 1 0 319.325 1.028 20 5 DDBDRO Cn1nnc2c1CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)C2 ZINC000594517000 356241347 /nfs/dbraw/zinc/24/13/47/356241347.db2.gz TZMYZVQGFFONPQ-JTQLQIEISA-N 1 0 305.313 1.510 20 5 DDBDRO [NH3+]C[C@H](NC(=O)NCCc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000594525995 356243229 /nfs/dbraw/zinc/24/32/29/356243229.db2.gz ZLKWVKLYBYULGT-JTQLQIEISA-N 1 0 320.271 1.326 20 5 DDBDRO COc1cccc([N+](=O)[O-])c1N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000594548816 356248156 /nfs/dbraw/zinc/24/81/56/356248156.db2.gz HOMGAARDYQLDQT-GXTWGEPZSA-N 1 0 321.377 1.639 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](C)Cn1cncn1 ZINC000595016103 356372132 /nfs/dbraw/zinc/37/21/32/356372132.db2.gz PZTDHZKDOOUUKJ-MNOVXSKESA-N 1 0 305.338 1.934 20 5 DDBDRO C[C@@H]1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])C[C@@H]1[NH3+] ZINC000595228811 356412699 /nfs/dbraw/zinc/41/26/99/356412699.db2.gz MXYAJJKNIPYPRT-NEPJUHHUSA-N 1 0 306.366 1.593 20 5 DDBDRO Cc1noc(CN2CCC[N@H+](C[C@@H]3CCCO3)CC2)c1[N+](=O)[O-] ZINC000595299527 356439162 /nfs/dbraw/zinc/43/91/62/356439162.db2.gz TUYQJYCZMIRWKZ-ZDUSSCGKSA-N 1 0 324.381 1.578 20 5 DDBDRO CCOC[C@@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000081522083 192281334 /nfs/dbraw/zinc/28/13/34/192281334.db2.gz LURJJRARIKCLPW-LLVKDONJSA-N 1 0 307.350 1.552 20 5 DDBDRO C[C@@H]1CN(Cc2ccc(F)cc2[N+](=O)[O-])[C@@H](C)C[N@@H+]1CCO ZINC000595551445 356546738 /nfs/dbraw/zinc/54/67/38/356546738.db2.gz LZMGPXFKDXOHES-NEPJUHHUSA-N 1 0 311.357 1.621 20 5 DDBDRO O=C(C[NH2+][C@@H](CO)C1CCC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000595617470 356578804 /nfs/dbraw/zinc/57/88/04/356578804.db2.gz ULDVRZQIAPWILE-AWEZNQCLSA-N 1 0 319.361 1.235 20 5 DDBDRO Cc1c(NC(=O)CC[NH2+][C@H](CO)C2CCC2)cccc1[N+](=O)[O-] ZINC000595616018 356579379 /nfs/dbraw/zinc/57/93/79/356579379.db2.gz LCEVTNVXMNCVIF-CQSZACIVSA-N 1 0 321.377 1.982 20 5 DDBDRO CO[C@]1(CO)CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000595659801 356596563 /nfs/dbraw/zinc/59/65/63/356596563.db2.gz AOZLARFOVZVIAH-OAHLLOKOSA-N 1 0 310.350 1.447 20 5 DDBDRO Cn1cc(C[C@H]2CCC[C@@H]2[NH2+]CCn2ccc([N+](=O)[O-])n2)cn1 ZINC000595768662 356644685 /nfs/dbraw/zinc/64/46/85/356644685.db2.gz FZWSQGGVBDJWCR-KGLIPLIRSA-N 1 0 318.381 1.526 20 5 DDBDRO CCOc1cc(C(=O)NCCCC[NH3+])c([N+](=O)[O-])cc1OC ZINC000237035256 202129851 /nfs/dbraw/zinc/12/98/51/202129851.db2.gz SYTJCSBTSVYPCT-UHFFFAOYSA-N 1 0 311.338 1.471 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@@H](C3CCC3)C2)c1 ZINC000595838738 356673314 /nfs/dbraw/zinc/67/33/14/356673314.db2.gz VHVLNKQLXHPJTC-UKRRQHHQSA-N 1 0 308.382 1.664 20 5 DDBDRO [NH3+][C@@H]1CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC[C@H]1F ZINC000595907501 356701122 /nfs/dbraw/zinc/70/11/22/356701122.db2.gz WBOYCXSEPOGKJV-CHWSQXEVSA-N 1 0 310.329 1.295 20 5 DDBDRO COc1cc(C(=O)NCC2([NH3+])CCCC2)c([N+](=O)[O-])cc1OC ZINC000595952589 356720913 /nfs/dbraw/zinc/72/09/13/356720913.db2.gz FVVAKLLINSACNU-UHFFFAOYSA-N 1 0 323.349 1.613 20 5 DDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])C1([NH2+]C2CC2)CCC1 ZINC000595939241 356714425 /nfs/dbraw/zinc/71/44/25/356714425.db2.gz HUQZSRCLOQRKQR-UHFFFAOYSA-N 1 0 303.362 1.928 20 5 DDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@]1(C)CC[NH2+]C1 ZINC000596049090 356753043 /nfs/dbraw/zinc/75/30/43/356753043.db2.gz IGDLWLMEMTVCJC-CYBMUJFWSA-N 1 0 313.379 1.188 20 5 DDBDRO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1nccn1C ZINC000596071052 356762097 /nfs/dbraw/zinc/76/20/97/356762097.db2.gz WXGPLUSIMUMSOR-NWDGAFQWSA-N 1 0 320.349 1.419 20 5 DDBDRO NC(=O)c1cc(NCC[NH+]2CCSCC2)ccc1[N+](=O)[O-] ZINC000596121633 356780973 /nfs/dbraw/zinc/78/09/73/356780973.db2.gz GLQYKTSQGBHBFW-UHFFFAOYSA-N 1 0 310.379 1.154 20 5 DDBDRO NC(=O)c1cc(N2CC[C@H]([NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000596106616 356773748 /nfs/dbraw/zinc/77/37/48/356773748.db2.gz URRSTCFUHZSOGG-LBPRGKRZSA-N 1 0 304.350 1.368 20 5 DDBDRO CC[NH+](CC)CCN(CCOC)c1ccc(N)c([N+](=O)[O-])n1 ZINC000596159120 356796441 /nfs/dbraw/zinc/79/64/41/356796441.db2.gz LMFVVJOTILVLHV-UHFFFAOYSA-N 1 0 311.386 1.367 20 5 DDBDRO Cc1cc(N(CC[NH+](C)C)CC(=O)N(C)C)ccc1[N+](=O)[O-] ZINC000596461621 356888452 /nfs/dbraw/zinc/88/84/52/356888452.db2.gz GZHLSDDRPONJGR-UHFFFAOYSA-N 1 0 308.382 1.359 20 5 DDBDRO C[NH+](C)C1(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000597570164 357232952 /nfs/dbraw/zinc/23/29/52/357232952.db2.gz JATCSHGCMJEMOF-UHFFFAOYSA-N 1 0 303.322 1.182 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000597434026 357174855 /nfs/dbraw/zinc/17/48/55/357174855.db2.gz NSEGGSFBUVIMDB-AWEZNQCLSA-N 1 0 308.338 1.155 20 5 DDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000597438336 357175941 /nfs/dbraw/zinc/17/59/41/357175941.db2.gz DLIZZSRJZDAONH-CQSZACIVSA-N 1 0 318.377 1.878 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000597716752 357299883 /nfs/dbraw/zinc/29/98/83/357299883.db2.gz UBISLZBRIGFCEI-OAHLLOKOSA-N 1 0 321.381 1.044 20 5 DDBDRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000597859537 357361425 /nfs/dbraw/zinc/36/14/25/357361425.db2.gz FFAVXBWBFWLNAE-LLVKDONJSA-N 1 0 306.366 1.840 20 5 DDBDRO CCN(C(=O)CCOc1ccccc1[N+](=O)[O-])[C@H]1CC[N@H+](C)C1 ZINC000597945948 357394279 /nfs/dbraw/zinc/39/42/79/357394279.db2.gz KYAIOCCKIRDARM-ZDUSSCGKSA-N 1 0 321.377 1.916 20 5 DDBDRO Cc1nn(CCC(=O)NCC[C@@H](C)[NH+](C)C)c(C)c1[N+](=O)[O-] ZINC000597994507 357410737 /nfs/dbraw/zinc/41/07/37/357410737.db2.gz ZFVVZVMFISOZOX-SNVBAGLBSA-N 1 0 311.386 1.255 20 5 DDBDRO CCN(C(=O)c1c([N+](=O)[O-])c(C)nn1C)[C@@H]1CC[N@H+](CC)C1 ZINC000598041818 357439674 /nfs/dbraw/zinc/43/96/74/357439674.db2.gz NKCTVYMJVXRVRV-LLVKDONJSA-N 1 0 309.370 1.193 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000598220003 357497429 /nfs/dbraw/zinc/49/74/29/357497429.db2.gz NFWKKIKPUQUAJA-LLVKDONJSA-N 1 0 321.381 1.465 20 5 DDBDRO CC[C@@H]1CN(C(=O)COc2ccccc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000598536858 357624884 /nfs/dbraw/zinc/62/48/84/357624884.db2.gz ZYOVOJXCCSEGOV-NWDGAFQWSA-N 1 0 307.350 1.573 20 5 DDBDRO [NH3+][C@]12CCC[C@@H]1CN(CCC(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC000598682020 357685089 /nfs/dbraw/zinc/68/50/89/357685089.db2.gz KPQHPYXTMBVGDN-WBMJQRKESA-N 1 0 318.377 1.737 20 5 DDBDRO Cc1ccc(S(=O)(=O)N[C@H](C)C[C@H](C)[NH3+])c(C)c1[N+](=O)[O-] ZINC000598714705 357701073 /nfs/dbraw/zinc/70/10/73/357701073.db2.gz JAEIHTSEUTXNLN-VHSXEESVSA-N 1 0 315.395 1.616 20 5 DDBDRO C[NH2+]CCCN(C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C ZINC000598715040 357701851 /nfs/dbraw/zinc/70/18/51/357701851.db2.gz LTAXPNYOIOCRIA-UHFFFAOYSA-N 1 0 315.395 1.442 20 5 DDBDRO NC(=O)[C@@H]1CCCN1CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000598990166 357785457 /nfs/dbraw/zinc/78/54/57/357785457.db2.gz ITNGYXMCYNJBJL-AWEZNQCLSA-N 1 0 306.366 1.024 20 5 DDBDRO O=C(CC[N@H+]1CC[C@@H]2CC[C@@H](O)[C@@H]21)Nc1ccc([N+](=O)[O-])cc1 ZINC000599682010 358023090 /nfs/dbraw/zinc/02/30/90/358023090.db2.gz UZRNMGLGOOXPKT-SGIREYDYSA-N 1 0 319.361 1.769 20 5 DDBDRO C[C@H](NC(=O)NC1(C[NH3+])CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000599909749 358079026 /nfs/dbraw/zinc/07/90/26/358079026.db2.gz YVABLGPKBXYHLG-NSHDSACASA-N 1 0 322.365 1.463 20 5 DDBDRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000599916275 358079324 /nfs/dbraw/zinc/07/93/24/358079324.db2.gz DWWWVHCLTDGGSY-SWLSCSKDSA-N 1 0 320.393 1.967 20 5 DDBDRO CCN(C(=O)Cn1cc([N+](=O)[O-])nc1C)C1CC[NH+](C)CC1 ZINC000599986429 358096547 /nfs/dbraw/zinc/09/65/47/358096547.db2.gz RJSVZSSUONSOAR-UHFFFAOYSA-N 1 0 309.370 1.042 20 5 DDBDRO O=C(NC[C@@H]1CC[N@@H+]1C1CCCCC1)c1cc([N+](=O)[O-])n[nH]1 ZINC000600228808 358163247 /nfs/dbraw/zinc/16/32/47/358163247.db2.gz FQVFCKDQQLXMGG-NSHDSACASA-N 1 0 307.354 1.455 20 5 DDBDRO C[C@@H]([NH2+]CCN1C(=O)NC(C)(C)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000180404563 199154472 /nfs/dbraw/zinc/15/44/72/199154472.db2.gz TYULPZDQBYXWGJ-SNVBAGLBSA-N 1 0 320.349 1.576 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H]2C[C@H]2c2ccsc2)c1 ZINC000600754784 358309074 /nfs/dbraw/zinc/30/90/74/358309074.db2.gz IGHWXXXVELTFFE-RWMBFGLXSA-N 1 0 308.363 1.359 20 5 DDBDRO CO[C@H]1C[C@@H](C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000600758251 358309694 /nfs/dbraw/zinc/30/96/94/358309694.db2.gz CQGAHUUKNDOYAX-TXEJJXNPSA-N 1 0 307.350 1.938 20 5 DDBDRO C[NH2+]CCNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000237386361 202250901 /nfs/dbraw/zinc/25/09/01/202250901.db2.gz ZHNAZLZMDDLNEF-UHFFFAOYSA-N 1 0 301.730 1.353 20 5 DDBDRO C[N@@H+]1CCC[C@H]1CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000600694605 358284860 /nfs/dbraw/zinc/28/48/60/358284860.db2.gz JZBAJWASLKPXID-VIFPVBQESA-N 1 0 307.306 1.148 20 5 DDBDRO O=C(Cc1ccccc1[N+](=O)[O-])N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000601557415 358600084 /nfs/dbraw/zinc/60/00/84/358600084.db2.gz OVFXKEPMNFIIIW-KBPBESRZSA-N 1 0 303.362 1.738 20 5 DDBDRO Cc1cn(C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)nc1[N+](=O)[O-] ZINC000601956009 358752336 /nfs/dbraw/zinc/75/23/36/358752336.db2.gz CUHUQJRFIBYCII-INIZCTEOSA-N 1 0 316.361 1.737 20 5 DDBDRO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)COc1ccccc1[N+](=O)[O-])C2 ZINC000601978049 358763564 /nfs/dbraw/zinc/76/35/64/358763564.db2.gz WTSGFLJEZROPEL-IYBDPMFKSA-N 1 0 319.361 1.432 20 5 DDBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@H]2CCCS(=O)(=O)CC2)c1 ZINC000602014410 358776390 /nfs/dbraw/zinc/77/63/90/358776390.db2.gz CSGVLMNIMZRBOB-ZDUSSCGKSA-N 1 0 312.391 1.694 20 5 DDBDRO C[C@H]1CC[C@@H](NC(=O)CCNc2ccccc2[N+](=O)[O-])C[NH2+]1 ZINC000602557360 359043973 /nfs/dbraw/zinc/04/39/73/359043973.db2.gz ZQMUVPYPDMUBDZ-NWDGAFQWSA-N 1 0 306.366 1.654 20 5 DDBDRO [NH3+][C@@H]1CC=C(C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000602476825 359003643 /nfs/dbraw/zinc/00/36/43/359003643.db2.gz WUHOXABAXGDTHW-CYBMUJFWSA-N 1 0 316.361 1.291 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]Cc3ccno3)CC2)cn1 ZINC000602608648 359070437 /nfs/dbraw/zinc/07/04/37/359070437.db2.gz UYSUKGHZUPYGPO-UHFFFAOYSA-N 1 0 303.322 1.736 20 5 DDBDRO Cn1ccc(CC[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)n1 ZINC000602618166 359077881 /nfs/dbraw/zinc/07/78/81/359077881.db2.gz QFBHPDKYZJEMQC-UHFFFAOYSA-N 1 0 301.306 1.802 20 5 DDBDRO CN1CCOC[C@@H]1C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602726276 359151855 /nfs/dbraw/zinc/15/18/55/359151855.db2.gz PHCVSYMFGPUVLO-NSHDSACASA-N 1 0 306.322 1.156 20 5 DDBDRO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602770037 359177866 /nfs/dbraw/zinc/17/78/66/359177866.db2.gz SRYOTZMEKIPJKB-ZDUSSCGKSA-N 1 0 323.397 1.433 20 5 DDBDRO Cn1cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)c([N+](=O)[O-])n1 ZINC000602837062 359228021 /nfs/dbraw/zinc/22/80/21/359228021.db2.gz SSLCJSSRUCPKKP-BFHYXJOUSA-N 1 0 308.382 1.844 20 5 DDBDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602820572 359215921 /nfs/dbraw/zinc/21/59/21/359215921.db2.gz GTRVUIILGWYCTH-LBPRGKRZSA-N 1 0 323.397 1.013 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CCN1CCO[C@@H](CC(F)(F)F)C1 ZINC000602903551 359283799 /nfs/dbraw/zinc/28/37/99/359283799.db2.gz DXELWUHDBCQIIR-JTQLQIEISA-N 1 0 322.287 1.753 20 5 DDBDRO CN(CC[N@H+](C)C1CC1)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000186776642 200008254 /nfs/dbraw/zinc/00/82/54/200008254.db2.gz UTJPAYKJUOKOTB-UHFFFAOYSA-N 1 0 322.321 1.669 20 5 DDBDRO CC1(CO)CC[NH+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000186910231 200029781 /nfs/dbraw/zinc/02/97/81/200029781.db2.gz AQBUSYWZIRSGMM-UHFFFAOYSA-N 1 0 307.350 1.288 20 5 DDBDRO [NH3+]C[C@@H](NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)C1CC1 ZINC000237803584 283453574 /nfs/dbraw/zinc/45/35/74/283453574.db2.gz YWVIDEAEHRTQKX-CQSZACIVSA-N 1 0 315.333 1.248 20 5 DDBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@H]1C[NH2+]CCO1 ZINC000187496568 200119601 /nfs/dbraw/zinc/11/96/01/200119601.db2.gz OHCQDIGCMNYAAJ-CQSZACIVSA-N 1 0 307.350 1.320 20 5 DDBDRO CC[NH+]1CCC(NS(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000604399052 359747149 /nfs/dbraw/zinc/74/71/49/359747149.db2.gz CIUIEFZCTBWMCC-UHFFFAOYSA-N 1 0 319.408 1.419 20 5 DDBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)[C@H](C)C[NH3+] ZINC000237617834 202305985 /nfs/dbraw/zinc/30/59/85/202305985.db2.gz DUKIEDZAIVQRBJ-RKDXNWHRSA-N 1 0 315.757 1.821 20 5 DDBDRO C[C@H](C[NH3+])N(C)C(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000237623407 202308460 /nfs/dbraw/zinc/30/84/60/202308460.db2.gz DUKIEDZAIVQRBJ-BDAKNGLRSA-N 1 0 315.757 1.821 20 5 DDBDRO C[C@H](C[NH3+])N(C)C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000237648458 202317431 /nfs/dbraw/zinc/31/74/31/202317431.db2.gz XTWCRNMWIBXXJZ-SNVBAGLBSA-N 1 0 303.322 1.200 20 5 DDBDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000272179395 209556699 /nfs/dbraw/zinc/55/66/99/209556699.db2.gz DCLSFPXOJDZDGC-ZYHUDNBSSA-N 1 0 318.377 1.978 20 5 DDBDRO COCC[N@@H+]1CCC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000609279535 360285730 /nfs/dbraw/zinc/28/57/30/360285730.db2.gz FIPKBVPJLJVMKN-CYBMUJFWSA-N 1 0 322.365 1.827 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CCc3cccnc3)CC2)cn1 ZINC000609631353 360339352 /nfs/dbraw/zinc/33/93/52/360339352.db2.gz HZVFOSFCSVYPIV-UHFFFAOYSA-N 1 0 313.361 1.750 20 5 DDBDRO Cn1c(Sc2cccnc2[N+](=O)[O-])nnc1C1CC[NH2+]CC1 ZINC000609797254 360351626 /nfs/dbraw/zinc/35/16/26/360351626.db2.gz AIUWVPLZYOEGAQ-UHFFFAOYSA-N 1 0 320.378 1.737 20 5 DDBDRO C[NH+](C)CCCCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000609582990 360328927 /nfs/dbraw/zinc/32/89/27/360328927.db2.gz CLHBSVSAJSGJKF-UHFFFAOYSA-N 1 0 309.322 1.395 20 5 DDBDRO C[C@@H](NC(=O)COc1cccc([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000609583473 360329218 /nfs/dbraw/zinc/32/92/18/360329218.db2.gz KLSLPZKAJXTTMN-GFCCVEGCSA-N 1 0 321.377 1.820 20 5 DDBDRO CN(CCCC[NH+](C)C)C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000610111897 360383179 /nfs/dbraw/zinc/38/31/79/360383179.db2.gz IKJOHFLEWXYXBK-UHFFFAOYSA-N 1 0 309.366 1.774 20 5 DDBDRO CCn1cnnc1CC[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000609851495 360356275 /nfs/dbraw/zinc/35/62/75/360356275.db2.gz QCTPVJNMLPPTSL-UHFFFAOYSA-N 1 0 305.338 1.547 20 5 DDBDRO Cc1cnc(N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c([N+](=O)[O-])c1 ZINC000610284013 360408504 /nfs/dbraw/zinc/40/85/04/360408504.db2.gz YNDDSZDYEABKAX-CYBMUJFWSA-N 1 0 319.409 1.879 20 5 DDBDRO Nc1c(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)cccc1[N+](=O)[O-] ZINC000610522707 360460862 /nfs/dbraw/zinc/46/08/62/360460862.db2.gz RHCFFBOTYLBCPH-LLVKDONJSA-N 1 0 304.350 1.391 20 5 DDBDRO CCOC(=O)CCC1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000610996018 360595023 /nfs/dbraw/zinc/59/50/23/360595023.db2.gz NJQVSCSVXCHQJC-UHFFFAOYSA-N 1 0 324.381 1.847 20 5 DDBDRO CN(C(=O)C[NH2+]C1(CO)CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000611463114 360724400 /nfs/dbraw/zinc/72/44/00/360724400.db2.gz WVPKUJPXKOYKAH-UHFFFAOYSA-N 1 0 321.377 1.842 20 5 DDBDRO O=C(CNc1ccccc1[N+](=O)[O-])N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000292845602 223270861 /nfs/dbraw/zinc/27/08/61/223270861.db2.gz CPFJUJWFVYAXTP-RYUDHWBXSA-N 1 0 304.350 1.217 20 5 DDBDRO C[NH+](C)C[C@@](C)(O)CNc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000565947499 304106066 /nfs/dbraw/zinc/10/60/66/304106066.db2.gz RLXAIKUAGNZMKO-HNNXBMFYSA-N 1 0 308.382 1.593 20 5 DDBDRO C[NH+]1CC2(C1)CCN(C(=O)CCNc1ccccc1[N+](=O)[O-])C2 ZINC000618920846 363801471 /nfs/dbraw/zinc/80/14/71/363801471.db2.gz ANHDDORQIGSLQT-UHFFFAOYSA-N 1 0 318.377 1.561 20 5 DDBDRO CCOc1ccc(C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)cc1[N+](=O)[O-] ZINC000195215673 201359467 /nfs/dbraw/zinc/35/94/67/201359467.db2.gz KSZMEANEDQBYGT-TXEJJXNPSA-N 1 0 305.334 1.285 20 5 DDBDRO CCO[C@H]1COCC[C@H]1[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000362019181 299985943 /nfs/dbraw/zinc/98/59/43/299985943.db2.gz UPROJUMDANSDQS-CABCVRRESA-N 1 0 310.350 1.757 20 5 DDBDRO CCOc1cc(N2CC[NH+](C[C@H](C)CO)CC2)ccc1[N+](=O)[O-] ZINC000619511682 364045592 /nfs/dbraw/zinc/04/55/92/364045592.db2.gz UZSHQTZWTYRONP-ZDUSSCGKSA-N 1 0 323.393 1.744 20 5 DDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)NCC12CCC[NH+]1CCC2 ZINC000619573932 364067353 /nfs/dbraw/zinc/06/73/53/364067353.db2.gz FGNRDLHODRUHBZ-UHFFFAOYSA-N 1 0 303.362 1.882 20 5 DDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)NCC12CCC[NH+]1CCC2 ZINC000619573963 364067365 /nfs/dbraw/zinc/06/73/65/364067365.db2.gz GTUFHXZQOPQAMQ-UHFFFAOYSA-N 1 0 303.362 1.882 20 5 DDBDRO Cc1cccc(C(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)c1[N+](=O)[O-] ZINC000619874033 364170196 /nfs/dbraw/zinc/17/01/96/364170196.db2.gz WWHKUUKURIORCJ-ZDUSSCGKSA-N 1 0 318.377 1.023 20 5 DDBDRO COc1cc(N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000275457183 212347343 /nfs/dbraw/zinc/34/73/43/212347343.db2.gz HHUPTGOQJMQTIH-LBPRGKRZSA-N 1 0 323.393 1.885 20 5 DDBDRO CCC[C@H]1C[NH2+]CCN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000359219677 299361199 /nfs/dbraw/zinc/36/11/99/299361199.db2.gz BVHJYYRXGWYKLV-LBPRGKRZSA-N 1 0 307.350 1.574 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000566209292 304129304 /nfs/dbraw/zinc/12/93/04/304129304.db2.gz RRLQSZLXFSUHNJ-ZDUSSCGKSA-N 1 0 321.381 1.179 20 5 DDBDRO [NH3+]C[C@H]1CCN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000262046690 203183193 /nfs/dbraw/zinc/18/31/93/203183193.db2.gz GVYZPAWSLUIEPS-LLVKDONJSA-N 1 0 315.333 1.201 20 5 DDBDRO CCCc1n[nH]c(C(=O)N2CCC(CC[NH3+])CC2)c1[N+](=O)[O-] ZINC000566405767 304150735 /nfs/dbraw/zinc/15/07/35/304150735.db2.gz DKMBXOYKMPWNJV-UHFFFAOYSA-N 1 0 309.370 1.471 20 5 DDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCC[C@@H]1CC[NH2+]C1 ZINC000262577853 203335780 /nfs/dbraw/zinc/33/57/80/203335780.db2.gz KJZGHEYGXJBVDF-JTQLQIEISA-N 1 0 311.769 1.907 20 5 DDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000094341112 193361878 /nfs/dbraw/zinc/36/18/78/193361878.db2.gz YSSVQKKGFVRQNO-KOLCDFICSA-N 1 0 313.379 1.261 20 5 DDBDRO C[C@@H]1CN(C)[C@@H](C)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000350871361 284274454 /nfs/dbraw/zinc/27/44/54/284274454.db2.gz QAUNEPJNGGYQFU-WDEREUQCSA-N 1 0 313.379 1.308 20 5 DDBDRO C[C@@H]1CN(CC[N@H+](C)CCc2cccc([N+](=O)[O-])c2)CCO1 ZINC000282538873 217072641 /nfs/dbraw/zinc/07/26/41/217072641.db2.gz VWWODLAKRZJBRA-CQSZACIVSA-N 1 0 307.394 1.790 20 5 DDBDRO C[N@@H+]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)[C@H](c2ccccc2)C1 ZINC000351486887 284337188 /nfs/dbraw/zinc/33/71/88/284337188.db2.gz YJPGXAFELDWRIB-JSGCOSHPSA-N 1 0 314.345 1.751 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000351494187 284342826 /nfs/dbraw/zinc/34/28/26/284342826.db2.gz NTQKFTYUGUMKJM-YUTCNCBUSA-N 1 0 318.377 1.511 20 5 DDBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000266105827 205102425 /nfs/dbraw/zinc/10/24/25/205102425.db2.gz GQLVYCFXFFJJFY-ZDUSSCGKSA-N 1 0 323.397 1.514 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(NC[C@H](C)N2CC[NH+](C)CC2)c1 ZINC000266177582 205161698 /nfs/dbraw/zinc/16/16/98/205161698.db2.gz AEJJDPWZVLAZMB-LBPRGKRZSA-N 1 0 308.382 1.651 20 5 DDBDRO CC[NH+]1CCC(N[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000266220819 205192183 /nfs/dbraw/zinc/19/21/83/205192183.db2.gz ZFBKHIOSZZSIPX-LBPRGKRZSA-N 1 0 320.393 1.996 20 5 DDBDRO CC[N@@H+]1CCCC[C@H]1CNc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000267514991 206117873 /nfs/dbraw/zinc/11/78/73/206117873.db2.gz JZQMYRUNRYZSAO-LBPRGKRZSA-N 1 0 306.366 1.980 20 5 DDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@H](C)[NH2+]C[C@H]1C ZINC000250898940 291601495 /nfs/dbraw/zinc/60/14/95/291601495.db2.gz 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Cc1ccc(CN2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000284432067 218025109 /nfs/dbraw/zinc/02/51/09/218025109.db2.gz SBADETLVKFJRMB-KBPBESRZSA-N 1 0 307.394 1.790 20 5 DDBDRO CC(C)(C)OC(=O)[C@](C)(O)C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000362083371 300002489 /nfs/dbraw/zinc/00/24/89/300002489.db2.gz AAPUJRHYZIDFQL-OAHLLOKOSA-N 1 0 310.350 1.777 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O ZINC000285352549 218393811 /nfs/dbraw/zinc/39/38/11/218393811.db2.gz ACFUCHFWQHXUSX-CHWSQXEVSA-N 1 0 323.349 1.387 20 5 DDBDRO CN1C[C@H]([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1=O ZINC000268863047 207030398 /nfs/dbraw/zinc/03/03/98/207030398.db2.gz RVQXHFSIBMMEQM-ZIAGYGMSSA-N 1 0 303.362 1.736 20 5 DDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000110797402 194359138 /nfs/dbraw/zinc/35/91/38/194359138.db2.gz VWPKMLBFGUYBEK-NSHDSACASA-N 1 0 313.379 1.181 20 5 DDBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000110997427 194379799 /nfs/dbraw/zinc/37/97/99/194379799.db2.gz DROLEYLIEPHDLP-LBPRGKRZSA-N 1 0 306.366 1.902 20 5 DDBDRO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])[nH]1 ZINC000340590703 251127401 /nfs/dbraw/zinc/12/74/01/251127401.db2.gz GIXNUUIIVGICJX-ZDUSSCGKSA-N 1 0 314.345 1.927 20 5 DDBDRO O=[N+]([O-])c1cccc(C[N@H+](CCN2CCOCC2)C2CC2)c1 ZINC000269097511 207238173 /nfs/dbraw/zinc/23/81/73/207238173.db2.gz PCOUZQNYJMDOKW-UHFFFAOYSA-N 1 0 305.378 1.891 20 5 DDBDRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000341106287 251383313 /nfs/dbraw/zinc/38/33/13/251383313.db2.gz WKAZQVMWPSDXQI-VXGBXAGGSA-N 1 0 306.366 1.321 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](CC(N)=O)C(C)C ZINC000063483184 184282947 /nfs/dbraw/zinc/28/29/47/184282947.db2.gz ILCSLNAYCMLVCJ-UHFFFAOYSA-N 1 0 322.365 1.428 20 5 DDBDRO C[NH2+]C[C@@H]1CCN(C(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)C1 ZINC000269163480 207286295 /nfs/dbraw/zinc/28/62/95/207286295.db2.gz BGUJYHNIUOYHLH-JTQLQIEISA-N 1 0 323.349 1.294 20 5 DDBDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000065761226 184379075 /nfs/dbraw/zinc/37/90/75/184379075.db2.gz OZNOBUJGUHRTRN-XQQFMLRXSA-N 1 0 323.397 1.274 20 5 DDBDRO COc1cc(C(=O)N2CC[NH2+][C@@H](C)C2)cc([N+](=O)[O-])c1OC ZINC000269226889 207347801 /nfs/dbraw/zinc/34/78/01/207347801.db2.gz UJCGQFCMKOQRIZ-VIFPVBQESA-N 1 0 309.322 1.046 20 5 DDBDRO C[C@@H]1CN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000269222739 207342478 /nfs/dbraw/zinc/34/24/78/207342478.db2.gz SHBWTLLEIHJPEQ-NEPJUHHUSA-N 1 0 306.366 1.227 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)c1 ZINC000269243680 207374117 /nfs/dbraw/zinc/37/41/17/207374117.db2.gz YCISFPBIXRDNQF-WDEREUQCSA-N 1 0 307.350 1.721 20 5 DDBDRO CCCC[N@H+](C)CCNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000352436694 285049670 /nfs/dbraw/zinc/04/96/70/285049670.db2.gz IVIPMDGUAWXOQP-UHFFFAOYSA-N 1 0 323.349 1.785 20 5 DDBDRO COc1ccc(OCC[N@H+](C)CC(C)(C)CO)c([N+](=O)[O-])c1 ZINC000451251777 533014536 /nfs/dbraw/zinc/01/45/36/533014536.db2.gz WFJJIYDBKWWKAD-UHFFFAOYSA-N 1 0 312.366 1.933 20 5 DDBDRO CNc1nc(C(=O)NCC2([NH+](C)C)CCCC2)ccc1[N+](=O)[O-] ZINC000454776739 533075617 /nfs/dbraw/zinc/07/56/17/533075617.db2.gz QOXHHRCKHCWVFK-UHFFFAOYSA-N 1 0 321.381 1.636 20 5 DDBDRO Cc1nn(CCC(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])c(C)c1[N+](=O)[O-] ZINC000158684118 197293588 /nfs/dbraw/zinc/29/35/88/197293588.db2.gz UHESEHSVXBUGNG-CHWSQXEVSA-N 1 0 323.397 1.432 20 5 DDBDRO CCCc1n[nH]c(C(=O)NCCC[NH+](CC)CC)c1[N+](=O)[O-] ZINC000154733222 196987873 /nfs/dbraw/zinc/98/78/73/196987873.db2.gz KZYBRQYBZXXGGO-UHFFFAOYSA-N 1 0 311.386 1.732 20 5 DDBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](c2nc(=O)[nH][nH]2)C1 ZINC000289482051 221006170 /nfs/dbraw/zinc/00/61/70/221006170.db2.gz RVDLJZZBSPQZCO-PWSUYJOCSA-N 1 0 317.349 1.947 20 5 DDBDRO CC(C)(C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000289579500 221082360 /nfs/dbraw/zinc/08/23/60/221082360.db2.gz DSQPYRBOKPZWER-QWHCGFSZSA-N 1 0 317.389 1.940 20 5 DDBDRO Cc1cc(C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)c(N)c([N+](=O)[O-])c1 ZINC000290054752 221405712 /nfs/dbraw/zinc/40/57/12/221405712.db2.gz HIFORUNPKMLHSM-MNOVXSKESA-N 1 0 304.350 1.167 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC000414647680 533227073 /nfs/dbraw/zinc/22/70/73/533227073.db2.gz AADLLOWEMLLOQV-AWEZNQCLSA-N 1 0 308.338 1.852 20 5 DDBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@H](CO)[C@@H]1CCCOC1 ZINC000414568978 224355245 /nfs/dbraw/zinc/35/52/45/224355245.db2.gz ZDXJJPZZOIKQIH-VNGFFZMTSA-N 1 0 306.362 1.985 20 5 DDBDRO C[C@@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@H](C)CO ZINC000295634673 533372065 /nfs/dbraw/zinc/37/20/65/533372065.db2.gz BNGXOLLFNUTZCG-NXEZZACHSA-N 1 0 313.329 1.669 20 5 DDBDRO C[C@H](NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000417126716 533603081 /nfs/dbraw/zinc/60/30/81/533603081.db2.gz DUKVMVVKUHDTEE-IACUBPJLSA-N 1 0 318.377 1.907 20 5 DDBDRO C[C@H](NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000418235044 533603174 /nfs/dbraw/zinc/60/31/74/533603174.db2.gz RRRBXSXGZGKIEL-SUHUHFCYSA-N 1 0 304.350 1.659 20 5 DDBDRO COc1ccc(CNC(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)cc1[N+](=O)[O-] ZINC000417179787 533627117 /nfs/dbraw/zinc/62/71/17/533627117.db2.gz FYBBPZNSOOVNRF-CMPLNLGQSA-N 1 0 322.365 1.401 20 5 DDBDRO Cc1n[nH]c(C(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000299529276 533667161 /nfs/dbraw/zinc/66/71/61/533667161.db2.gz LJMHPMTVSDYRGR-UWVGGRQHSA-N 1 0 309.370 1.477 20 5 DDBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N[C@@H]1CCC[NH2+]C1 ZINC000071397246 296499696 /nfs/dbraw/zinc/49/96/96/296499696.db2.gz YXTZSHCNLIKJOA-SECBINFHSA-N 1 0 319.770 1.279 20 5 DDBDRO CO[C@](C)([C@@H](C)[NH2+]CCn1cc([N+](=O)[O-])ccc1=O)C1CC1 ZINC000411965475 286149103 /nfs/dbraw/zinc/14/91/03/286149103.db2.gz FNAZLTCPSWUVFV-IAQYHMDHSA-N 1 0 309.366 1.550 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000189324122 292294926 /nfs/dbraw/zinc/29/49/26/292294926.db2.gz LWANJYJESMICIL-JQWIXIFHSA-N 1 0 313.379 1.322 20 5 DDBDRO C[NH+](C)[C@H]1CCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000128722541 407566420 /nfs/dbraw/zinc/56/64/20/407566420.db2.gz NLIUCLIELUIJEF-ZDUSSCGKSA-N 1 0 316.361 1.781 20 5 DDBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000068338285 406634629 /nfs/dbraw/zinc/63/46/29/406634629.db2.gz VHQUPZQBELGFHM-SECBINFHSA-N 1 0 312.345 1.776 20 5 DDBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@H]2CCCS(=O)(=O)C2)cc1 ZINC000069144327 406685643 /nfs/dbraw/zinc/68/56/43/406685643.db2.gz WUHFMQRHNSDMTF-NSHDSACASA-N 1 0 314.363 1.140 20 5 DDBDRO C[NH2+]CCN(C)S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000070303963 406813998 /nfs/dbraw/zinc/81/39/98/406813998.db2.gz REGGOWKJDGMBRO-UHFFFAOYSA-N 1 0 301.368 1.052 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC[C@@H]([NH3+])C(C)C)c1C ZINC000070447626 406817289 /nfs/dbraw/zinc/81/72/89/406817289.db2.gz IAGLTCZXGGFWJE-GFCCVEGCSA-N 1 0 315.395 1.473 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]([NH3+])C(C)C ZINC000070447565 406817531 /nfs/dbraw/zinc/81/75/31/406817531.db2.gz DOPAJVKEPFDMNQ-NSHDSACASA-N 1 0 301.368 1.165 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[NH+](C(C)C)CC1 ZINC000075634871 406937957 /nfs/dbraw/zinc/93/79/57/406937957.db2.gz CUKONDCZYHTRNF-UHFFFAOYSA-N 1 0 320.393 1.868 20 5 DDBDRO [NH3+]CCCCNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000037714591 406992314 /nfs/dbraw/zinc/99/23/14/406992314.db2.gz XJGPQHZAENMQOG-UHFFFAOYSA-N 1 0 307.759 1.265 20 5 DDBDRO C[C@H](CC[NH+](C)C)Nc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000089620031 407141764 /nfs/dbraw/zinc/14/17/64/407141764.db2.gz XECWTERYHFFBFF-SNVBAGLBSA-N 1 0 315.395 1.750 20 5 DDBDRO COCC[N@H+](C)CCNC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC000094092972 407203480 /nfs/dbraw/zinc/20/34/80/407203480.db2.gz QNIBGXHAXHSODY-UHFFFAOYSA-N 1 0 323.393 1.828 20 5 DDBDRO C[C@H](CNC(=O)CNc1ccccc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000123860249 407341178 /nfs/dbraw/zinc/34/11/78/407341178.db2.gz ULHXVWKGPJGRAQ-CYBMUJFWSA-N 1 0 320.393 1.855 20 5 DDBDRO CC1CC[NH+](CCNC(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000124654112 407365631 /nfs/dbraw/zinc/36/56/31/407365631.db2.gz UJGPZFZSUXEBAZ-UHFFFAOYSA-N 1 0 307.354 1.843 20 5 DDBDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000261663407 407573248 /nfs/dbraw/zinc/57/32/48/407573248.db2.gz GJTOZUCEANNSOR-MNOVXSKESA-N 1 0 318.377 1.978 20 5 DDBDRO C[NH2+][C@H]1CCCN([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000261685140 407578037 /nfs/dbraw/zinc/57/80/37/407578037.db2.gz DNJAEUCGVGOYKA-NEPJUHHUSA-N 1 0 306.366 1.606 20 5 DDBDRO CC[N@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C(C)C ZINC000171057118 407581220 /nfs/dbraw/zinc/58/12/20/407581220.db2.gz LRUNNCWECWHQJY-UHFFFAOYSA-N 1 0 309.322 1.992 20 5 DDBDRO CN1CC[N@H+](C)C[C@@H]1CNCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000218989491 407525528 /nfs/dbraw/zinc/52/55/28/407525528.db2.gz RSLZBGNXMYPYJE-ZDUSSCGKSA-N 1 0 312.801 1.584 20 5 DDBDRO CC[N@H+](CCNC(=O)NCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000171157236 407614636 /nfs/dbraw/zinc/61/46/36/407614636.db2.gz GANBQKAXVOHQBM-UHFFFAOYSA-N 1 0 306.366 1.878 20 5 DDBDRO CCCN(C(=O)CCOc1ccccc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000178912319 407652209 /nfs/dbraw/zinc/65/22/09/407652209.db2.gz KQMAACUOCZYKFZ-ZDUSSCGKSA-N 1 0 321.377 1.964 20 5 DDBDRO COC(=O)[C@H]1CC12CC[NH+](CCn1cc([N+](=O)[O-])cn1)CC2 ZINC000266919045 407674342 /nfs/dbraw/zinc/67/43/42/407674342.db2.gz HKMRFLAMLRCQEK-GFCCVEGCSA-N 1 0 308.338 1.066 20 5 DDBDRO Cc1nn(CCC(=O)NC[C@@H]2CCC[N@H+]2C)c(C)c1[N+](=O)[O-] ZINC000171400807 407680844 /nfs/dbraw/zinc/68/08/44/407680844.db2.gz HWXXAUTWDDQSKM-LBPRGKRZSA-N 1 0 309.370 1.009 20 5 DDBDRO COCC1(CNC(=O)c2cc(C)ccc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000261942415 407682021 /nfs/dbraw/zinc/68/20/21/407682021.db2.gz UXTMQNGTBRPLCC-UHFFFAOYSA-N 1 0 321.377 1.649 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186498939 407683958 /nfs/dbraw/zinc/68/39/58/407683958.db2.gz SUGSMVWTABDJHR-LLVKDONJSA-N 1 0 304.350 1.655 20 5 DDBDRO C[NH2+]C[C@@H]1CCCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000261950958 407687544 /nfs/dbraw/zinc/68/75/44/407687544.db2.gz MXZAAYRADVPSBV-NSHDSACASA-N 1 0 306.366 1.125 20 5 DDBDRO COc1cc(C(=O)N2CC[C@@](C)(C[NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000261964692 407694394 /nfs/dbraw/zinc/69/43/94/407694394.db2.gz YETKGTVNXDFFAA-HNNXBMFYSA-N 1 0 323.349 1.423 20 5 DDBDRO CC[N@@H+]1CCC[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000152821544 407698883 /nfs/dbraw/zinc/69/88/83/407698883.db2.gz XVMUNMUJUVJSFZ-LBPRGKRZSA-N 1 0 309.341 1.877 20 5 DDBDRO COCC[NH2+]CC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000152878013 407705694 /nfs/dbraw/zinc/70/56/94/407705694.db2.gz XBAKHLIMUAMGHC-UHFFFAOYSA-N 1 0 309.366 1.568 20 5 DDBDRO Cc1ccc(S(=O)(=O)N(C)C2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000237124973 407797172 /nfs/dbraw/zinc/79/71/72/407797172.db2.gz KKFDHCINNIWHSR-UHFFFAOYSA-N 1 0 313.379 1.276 20 5 DDBDRO Cc1cnc(N2CC[NH+](C[C@@H]3CCOC3)CC2)c([N+](=O)[O-])c1 ZINC000267341204 407842503 /nfs/dbraw/zinc/84/25/03/407842503.db2.gz DMQDRURSBDKRLJ-ZDUSSCGKSA-N 1 0 306.366 1.457 20 5 DDBDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000272319180 407865232 /nfs/dbraw/zinc/86/52/32/407865232.db2.gz SZAJRQRVSBVLCF-ZJUUUORDSA-N 1 0 311.313 1.308 20 5 DDBDRO CN(CC(C)(C)C[NH3+])C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000262579747 407871650 /nfs/dbraw/zinc/87/16/50/407871650.db2.gz IPCADYLWNUVSPU-UHFFFAOYSA-N 1 0 313.329 1.556 20 5 DDBDRO CC(C)C[NH+]1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000153681623 407878630 /nfs/dbraw/zinc/87/86/30/407878630.db2.gz RBKDXSDAIJZYCG-INIZCTEOSA-N 1 0 307.394 1.902 20 5 DDBDRO C[N@H+](CCOCC1CC1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000268118590 407897897 /nfs/dbraw/zinc/89/78/97/407897897.db2.gz NKVCYIWJGIUSIX-HNNXBMFYSA-N 1 0 324.377 1.693 20 5 DDBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000268248141 407967519 /nfs/dbraw/zinc/96/75/19/407967519.db2.gz WKVDDGCYFPWOSJ-IAQYHMDHSA-N 1 0 303.362 1.736 20 5 DDBDRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000189431028 408014794 /nfs/dbraw/zinc/01/47/94/408014794.db2.gz HBKFPJNVPUCTFB-CQSZACIVSA-N 1 0 321.421 1.914 20 5 DDBDRO CN(CC(=O)NC[C@@]1(C)CCC[NH2+]C1)c1ccccc1[N+](=O)[O-] ZINC000272967210 408018065 /nfs/dbraw/zinc/01/80/65/408018065.db2.gz GSRNYIYPKQIJGT-INIZCTEOSA-N 1 0 320.393 1.537 20 5 DDBDRO COC[C@@H]([NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000136650444 408116556 /nfs/dbraw/zinc/11/65/56/408116556.db2.gz SMHOVADPEDMQJX-QMTHXVAHSA-N 1 0 307.350 1.936 20 5 DDBDRO CNC(=O)[C@H](C)C[N@H+](C)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000246250960 408192848 /nfs/dbraw/zinc/19/28/48/408192848.db2.gz SXDVPVAYEIDZFY-GHMZBOCLSA-N 1 0 322.365 1.236 20 5 DDBDRO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000246726278 408324903 /nfs/dbraw/zinc/32/49/03/408324903.db2.gz AHUMEXGWCLDOTE-BXKDBHETSA-N 1 0 324.356 1.775 20 5 DDBDRO CC(=O)N1CC[C@@H](C[N@H+](C)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000156657749 408269130 /nfs/dbraw/zinc/26/91/30/408269130.db2.gz XVVBGWZJJHHFBW-HNNXBMFYSA-N 1 0 305.378 1.938 20 5 DDBDRO Cc1c(Cl)cc(S(=O)(=O)N(C)CCC[NH3+])cc1[N+](=O)[O-] ZINC000156861467 408280782 /nfs/dbraw/zinc/28/07/82/408280782.db2.gz OHOQJHXKXIMTKW-UHFFFAOYSA-N 1 0 321.786 1.526 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000269432753 408307882 /nfs/dbraw/zinc/30/78/82/408307882.db2.gz CIWNUFWVEGQKAL-ONGXEEELSA-N 1 0 321.381 1.654 20 5 DDBDRO CC(C)(C)CC[NH+]1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176215251 408311504 /nfs/dbraw/zinc/31/15/04/408311504.db2.gz WOZNAAHXUHWUSO-UHFFFAOYSA-N 1 0 309.414 1.845 20 5 DDBDRO COc1ccc(OCC[N@@H+]2CC[C@@H]([C@@H](C)O)C2)c([N+](=O)[O-])c1 ZINC000183197074 408348917 /nfs/dbraw/zinc/34/89/17/408348917.db2.gz MVDYXJUNXOXCFN-VXGBXAGGSA-N 1 0 310.350 1.685 20 5 DDBDRO CS[C@H]1CCCC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000246849180 408353033 /nfs/dbraw/zinc/35/30/33/408353033.db2.gz OZUOWPPISNWEDN-OLZOCXBDSA-N 1 0 314.411 1.370 20 5 DDBDRO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)NCC[C@H]1CCC[NH2+]1 ZINC000166784633 162169155 /nfs/dbraw/zinc/16/91/55/162169155.db2.gz CONXWNMKFLOGIB-SECBINFHSA-N 1 0 317.342 1.154 20 5 DDBDRO CC(C)C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N)[NH+](C)C ZINC000191618904 408456855 /nfs/dbraw/zinc/45/68/55/408456855.db2.gz LXJNVPZLEVZGJX-GFCCVEGCSA-N 1 0 308.382 1.883 20 5 DDBDRO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000274642899 408479487 /nfs/dbraw/zinc/47/94/87/408479487.db2.gz ZQVKMDVMTJCLNH-YNEHKIRRSA-N 1 0 310.350 1.349 20 5 DDBDRO CCc1n[nH]c(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000176935082 408479523 /nfs/dbraw/zinc/47/95/23/408479523.db2.gz WLBDONHHXDRCQM-ONGXEEELSA-N 1 0 309.370 1.339 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCCN(c3ccccn3)CC2)c1 ZINC000183822879 408496327 /nfs/dbraw/zinc/49/63/27/408496327.db2.gz TZTPTFSNRTYHRA-UHFFFAOYSA-N 1 0 316.365 1.399 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000160311925 408470748 /nfs/dbraw/zinc/47/07/48/408470748.db2.gz LZJMLNDPTXBXTO-UHFFFAOYSA-N 1 0 309.370 1.323 20 5 DDBDRO C[N@H+](CCCO)C1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000265198927 408577817 /nfs/dbraw/zinc/57/78/17/408577817.db2.gz JEBJVJMMWMFVBJ-UHFFFAOYSA-N 1 0 307.394 1.873 20 5 DDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H]([C@H](C)O)C1 ZINC000248525012 408580774 /nfs/dbraw/zinc/58/07/74/408580774.db2.gz CMCIEMWMFLZBEV-GRYCIOLGSA-N 1 0 307.350 1.625 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000275543580 408596509 /nfs/dbraw/zinc/59/65/09/408596509.db2.gz QSMHCDNDPOAZEW-CYBMUJFWSA-N 1 0 321.381 1.271 20 5 DDBDRO C[C@H]1C[N@@H+](C2CCN(c3cc(N)ccc3[N+](=O)[O-])CC2)CCO1 ZINC000192782712 408646979 /nfs/dbraw/zinc/64/69/79/408646979.db2.gz LIAJAQUQUVLQKS-LBPRGKRZSA-N 1 0 320.393 1.867 20 5 DDBDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2[nH]ncc2[N+](=O)[O-])C1 ZINC000162614658 408718726 /nfs/dbraw/zinc/71/87/26/408718726.db2.gz VQSOVEMHNMHAQT-NSHDSACASA-N 1 0 309.370 1.416 20 5 DDBDRO COc1cc(CN2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c([N+](=O)[O-])cc1F ZINC000193631207 408734211 /nfs/dbraw/zinc/73/42/11/408734211.db2.gz UUCCKLGTUCMREL-TXEJJXNPSA-N 1 0 309.341 1.736 20 5 DDBDRO C[C@H](O)C[N@@H+]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000251842404 408786708 /nfs/dbraw/zinc/78/67/08/408786708.db2.gz OCWBEPSFWGQKRI-STQMWFEESA-N 1 0 321.377 1.051 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@](C)(O)C1 ZINC000177973288 408747431 /nfs/dbraw/zinc/74/74/31/408747431.db2.gz XSHDEPCOTZIPCC-HNNXBMFYSA-N 1 0 323.349 1.389 20 5 DDBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@](C)(O)C2)c([N+](=O)[O-])c1 ZINC000177980357 408750718 /nfs/dbraw/zinc/75/07/18/408750718.db2.gz GQFVRRIOOBUKTL-HNNXBMFYSA-N 1 0 323.349 1.389 20 5 DDBDRO C[C@H]1C[C@@H](N2CCOCC2)C[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000285857042 408877633 /nfs/dbraw/zinc/87/76/33/408877633.db2.gz IJSILTPKOHRNOT-XJKSGUPXSA-N 1 0 305.378 1.890 20 5 DDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000276309839 408832844 /nfs/dbraw/zinc/83/28/44/408832844.db2.gz OFYNUDMOKQMMHB-KGLIPLIRSA-N 1 0 304.350 1.534 20 5 DDBDRO CC[NH+](CC)CCNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000280914798 408857640 /nfs/dbraw/zinc/85/76/40/408857640.db2.gz FGOMLXUXMFDOCV-UHFFFAOYSA-N 1 0 305.338 1.997 20 5 DDBDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000285912851 408887797 /nfs/dbraw/zinc/88/77/97/408887797.db2.gz ZECFFXYIXNLSNO-NSHDSACASA-N 1 0 309.370 1.416 20 5 DDBDRO C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])cc3F)[C@H]2C1 ZINC000285924739 408889525 /nfs/dbraw/zinc/88/95/25/408889525.db2.gz UPXWZPNTQUWKED-KBPBESRZSA-N 1 0 323.324 1.279 20 5 DDBDRO COC(=O)c1cnc(NCC[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000276610483 408892946 /nfs/dbraw/zinc/89/29/46/408892946.db2.gz SOFFRFHIKUEHLC-UHFFFAOYSA-N 1 0 308.338 1.674 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N(C)[C@H]1CCC[N@H+](C)C1 ZINC000277362752 408926292 /nfs/dbraw/zinc/92/62/92/408926292.db2.gz CJCZBOOHZVEHTQ-LBPRGKRZSA-N 1 0 307.350 1.770 20 5 DDBDRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000277408772 408935268 /nfs/dbraw/zinc/93/52/68/408935268.db2.gz FFRJVSHJTNUYIC-SMDDNHRTSA-N 1 0 305.378 1.987 20 5 DDBDRO C[N@@H+]1CCC[C@H]1CNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000194712306 163293872 /nfs/dbraw/zinc/29/38/72/163293872.db2.gz PJYZLSJTGKKXSW-LBPRGKRZSA-N 1 0 306.366 1.607 20 5 DDBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000293315081 409087394 /nfs/dbraw/zinc/08/73/94/409087394.db2.gz FQJOTUBRKVGDKM-XQQFMLRXSA-N 1 0 320.393 1.946 20 5 DDBDRO COC[C@@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000279046105 409138651 /nfs/dbraw/zinc/13/86/51/409138651.db2.gz JZLWYVKJCWIUCT-TZMCWYRMSA-N 1 0 323.349 1.317 20 5 DDBDRO O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000289352434 409252114 /nfs/dbraw/zinc/25/21/14/409252114.db2.gz YDCGWDBLVUQBAP-HNNXBMFYSA-N 1 0 307.325 1.950 20 5 DDBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@H](CO)[C@H]2CCOC2)c1 ZINC000280251334 409277877 /nfs/dbraw/zinc/27/78/77/409277877.db2.gz IXLWRYUFORINKF-CMPLNLGQSA-N 1 0 314.769 1.983 20 5 DDBDRO Cc1cc(OCC(=O)N2CCC[C@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000280468409 409317123 /nfs/dbraw/zinc/31/71/23/409317123.db2.gz GGIVHMDNFRIOPS-ZDUSSCGKSA-N 1 0 321.377 1.835 20 5 DDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000296075452 409421089 /nfs/dbraw/zinc/42/10/89/409421089.db2.gz CYMPETPSDHLOHQ-CYBMUJFWSA-N 1 0 322.365 1.563 20 5 DDBDRO O=C(N[C@H]1CCC[N@@H+](CCCO)C1)c1cccc([N+](=O)[O-])c1 ZINC000295389570 409462593 /nfs/dbraw/zinc/46/25/93/409462593.db2.gz HMWSHXVDZWYLHV-ZDUSSCGKSA-N 1 0 307.350 1.171 20 5 DDBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000408068541 164216325 /nfs/dbraw/zinc/21/63/25/164216325.db2.gz IONRIVIXBLOTBE-UTUOFQBUSA-N 1 0 321.381 1.795 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1CN1CCC([NH+]2CCCCC2)CC1 ZINC000408310722 164293369 /nfs/dbraw/zinc/29/33/69/164293369.db2.gz UCKUWOIZXYQQNG-UHFFFAOYSA-N 1 0 307.398 1.779 20 5 DDBDRO Cc1nn(C)c(C(=O)N2CCC[C@H]([NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000408385693 164315167 /nfs/dbraw/zinc/31/51/67/164315167.db2.gz NOBLFQYVQNOQML-NSHDSACASA-N 1 0 309.370 1.193 20 5 DDBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000290690850 409488891 /nfs/dbraw/zinc/48/88/91/409488891.db2.gz UZRNJANFBAZVFL-GFCCVEGCSA-N 1 0 311.386 1.418 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@](O)(C(F)(F)F)CC2)n1 ZINC000285594903 409502729 /nfs/dbraw/zinc/50/27/29/409502729.db2.gz PGTGLWLFVMFPPE-LLVKDONJSA-N 1 0 322.287 1.571 20 5 DDBDRO Cn1ccnc1C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000331501778 409575258 /nfs/dbraw/zinc/57/52/58/409575258.db2.gz BOEKKKLSLQTLQZ-NWDGAFQWSA-N 1 0 304.354 1.798 20 5 DDBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)CCn2cc([N+](=O)[O-])nc2C)C1 ZINC000338073916 409696095 /nfs/dbraw/zinc/69/60/95/409696095.db2.gz RELNXQSOCGSKHP-ZDUSSCGKSA-N 1 0 323.397 1.338 20 5 DDBDRO CN(CC(=O)N1CCC(C[NH3+])CC1)c1ccccc1[N+](=O)[O-] ZINC000296831757 409652443 /nfs/dbraw/zinc/65/24/43/409652443.db2.gz BESMFXICESZSBF-UHFFFAOYSA-N 1 0 306.366 1.228 20 5 DDBDRO CC[C@H](C)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1 ZINC000296859383 409670645 /nfs/dbraw/zinc/67/06/45/409670645.db2.gz IBAJXNOANWRQJB-JTQLQIEISA-N 1 0 324.356 1.872 20 5 DDBDRO CC[C@@H](C)[NH+]1CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000297011630 409761375 /nfs/dbraw/zinc/76/13/75/409761375.db2.gz RBWIBTJHQNLGMX-SNVBAGLBSA-N 1 0 308.338 1.252 20 5 DDBDRO CCOCC[N@@H+]1CCN(c2ncc([N+](=O)[O-])c(C)n2)C[C@@H]1CC ZINC000297054974 409780577 /nfs/dbraw/zinc/78/05/77/409780577.db2.gz IQCSLXYDYAOSLT-ZDUSSCGKSA-N 1 0 323.397 1.630 20 5 DDBDRO CC[C@H](C)[NH+]1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000297123780 409813718 /nfs/dbraw/zinc/81/37/18/409813718.db2.gz YVBCXUMBMLDEEI-NSHDSACASA-N 1 0 306.366 1.733 20 5 DDBDRO COCCC[N@H+](C)CCNc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000297126082 409817413 /nfs/dbraw/zinc/81/74/13/409817413.db2.gz MUYPSMWXMWJPKZ-UHFFFAOYSA-N 1 0 307.354 1.851 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)n1 ZINC000332183398 409955498 /nfs/dbraw/zinc/95/54/98/409955498.db2.gz VZENQYBWDKPBHP-GFCCVEGCSA-N 1 0 321.381 1.512 20 5 DDBDRO C[C@@H]1C[C@@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000357425035 410033615 /nfs/dbraw/zinc/03/36/15/410033615.db2.gz RNABGSZGIMXGOO-OLZOCXBDSA-N 1 0 321.377 1.963 20 5 DDBDRO C[C@H]1C[C@@H](NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC[N@@H+]1C ZINC000332239812 410006715 /nfs/dbraw/zinc/00/67/15/410006715.db2.gz IOIPQZRZMLZKKB-UWVGGRQHSA-N 1 0 317.349 1.684 20 5 DDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1F)NCC[N@H+]1CC=CCC1 ZINC000357621986 410144019 /nfs/dbraw/zinc/14/40/19/410144019.db2.gz POCSZOWYGWNORM-UHFFFAOYSA-N 1 0 307.325 1.655 20 5 DDBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)CC(N)=O ZINC000343103327 410146040 /nfs/dbraw/zinc/14/60/40/410146040.db2.gz OVOFIMBFHADCJU-VHSXEESVSA-N 1 0 308.338 1.165 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])c(=O)n(CC[C@@H]2CCCC[N@@H+]2C)c1 ZINC000298505825 410263436 /nfs/dbraw/zinc/26/34/36/410263436.db2.gz KSAFKPCFOSDHRG-LBPRGKRZSA-N 1 0 323.349 1.418 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000351864491 410303453 /nfs/dbraw/zinc/30/34/53/410303453.db2.gz YIICHPTVCPBMDO-NEPJUHHUSA-N 1 0 306.366 1.511 20 5 DDBDRO CNC(=O)NC(=O)CC[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000298753733 410383345 /nfs/dbraw/zinc/38/33/45/410383345.db2.gz CLLLKMDTCPSKPZ-JTQLQIEISA-N 1 0 308.338 1.400 20 5 DDBDRO Cn1ccnc1[C@@H]1OCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000343388002 410413992 /nfs/dbraw/zinc/41/39/92/410413992.db2.gz NOPCJOVYQIPIIY-ZIAGYGMSSA-N 1 0 302.334 1.948 20 5 DDBDRO CCC[N@@H+]1CC[C@H](CNc2ncc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000299082761 410515014 /nfs/dbraw/zinc/51/50/14/410515014.db2.gz SJGDPFMKMXLCLH-SNVBAGLBSA-N 1 0 307.354 1.233 20 5 DDBDRO C[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CCCOC1 ZINC000352186865 410534760 /nfs/dbraw/zinc/53/47/60/410534760.db2.gz OJQDLPLIFVPMMG-KGLIPLIRSA-N 1 0 310.350 1.445 20 5 DDBDRO CCCc1n[nH]c(C(=O)NC[C@@H]2CCC[N@H+]2CCC)c1[N+](=O)[O-] ZINC000343631477 410581949 /nfs/dbraw/zinc/58/19/49/410581949.db2.gz QSWQWNMAIKWAQM-NSHDSACASA-N 1 0 323.397 1.875 20 5 DDBDRO Nc1c(C(=O)NCC2CCC(C[NH3+])CC2)cccc1[N+](=O)[O-] ZINC000343635565 410585214 /nfs/dbraw/zinc/58/52/14/410585214.db2.gz YFHOAYKPFMZENL-UHFFFAOYSA-N 1 0 306.366 1.672 20 5 DDBDRO CC1CC[NH+](CCNC(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000299168643 410552480 /nfs/dbraw/zinc/55/24/80/410552480.db2.gz SCZMJYQGZWDDRO-UHFFFAOYSA-N 1 0 309.370 1.030 20 5 DDBDRO CCS[C@@H]1CCC[C@@H]1[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000300659846 410647198 /nfs/dbraw/zinc/64/71/98/410647198.db2.gz MIZJMTCZHOMIQL-RWMBFGLXSA-N 1 0 314.411 1.416 20 5 DDBDRO O=[N+]([O-])c1cnccc1NC1CC[NH+](Cc2ccncc2)CC1 ZINC000340152114 410710661 /nfs/dbraw/zinc/71/06/61/410710661.db2.gz QHMUSUPHQRFLMS-UHFFFAOYSA-N 1 0 313.361 1.883 20 5 DDBDRO CS[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cnc2C)C[C@H]1[NH+](C)C ZINC000330500930 410732189 /nfs/dbraw/zinc/73/21/89/410732189.db2.gz RWYCROKTSOGYGG-OLZOCXBDSA-N 1 0 324.406 1.416 20 5 DDBDRO COc1cc(N[C@H](C)[C@H]2CN(C)CCO2)c(F)cc1[N+](=O)[O-] ZINC000301935491 410832842 /nfs/dbraw/zinc/83/28/42/410832842.db2.gz RLDRMVVBQWTPIS-YMTOWFKASA-N 1 0 313.329 1.874 20 5 DDBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2c2ccc3ncc([N+](=O)[O-])n3n2)C1 ZINC000302709285 410849441 /nfs/dbraw/zinc/84/94/41/410849441.db2.gz DDRCDJFGXZZMDV-VXGBXAGGSA-N 1 0 316.365 1.558 20 5 DDBDRO CS[C@@H]1CN(C(=O)c2c(N)cccc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000330747785 410888538 /nfs/dbraw/zinc/88/85/38/410888538.db2.gz GMCYGFRXFPYEME-NWDGAFQWSA-N 1 0 324.406 1.295 20 5 DDBDRO COc1c(C(=O)N2CCC[C@H]2C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000331059666 410924054 /nfs/dbraw/zinc/92/40/54/410924054.db2.gz NDOVMWFIORWHIE-NSHDSACASA-N 1 0 307.350 1.770 20 5 DDBDRO C[C@H]1CC[N@H+](C)CCN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000353765113 411125155 /nfs/dbraw/zinc/12/51/55/411125155.db2.gz GIJMQPCQSQUTCD-JTQLQIEISA-N 1 0 317.349 1.637 20 5 DDBDRO COc1ccc(C(=O)NCC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000129032521 196013450 /nfs/dbraw/zinc/01/34/50/196013450.db2.gz FATMVMZQEOYAIH-UHFFFAOYSA-N 1 0 307.350 1.675 20 5 DDBDRO [NH3+]C[C@H]1CCCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000580328809 422920367 /nfs/dbraw/zinc/92/03/67/422920367.db2.gz IYMWHKGOQVEIGE-GFCCVEGCSA-N 1 0 318.377 1.155 20 5 DDBDRO [NH3+]C[C@@H]1CC[C@H](NC(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000580539825 422939675 /nfs/dbraw/zinc/93/96/75/422939675.db2.gz UOBAVIMMQQTGGF-NEPJUHHUSA-N 1 0 322.365 1.400 20 5 DDBDRO CS[C@H](C)C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000580553739 422941216 /nfs/dbraw/zinc/94/12/16/422941216.db2.gz DRLRJNJBLXXMQG-PWSUYJOCSA-N 1 0 300.380 1.676 20 5 DDBDRO CN1CCC[C@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1=O ZINC000580709584 422949333 /nfs/dbraw/zinc/94/93/33/422949333.db2.gz GUASUWHLZAMMPV-LBPRGKRZSA-N 1 0 320.349 1.134 20 5 DDBDRO C[NH2+][C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000133070975 196309194 /nfs/dbraw/zinc/30/91/94/196309194.db2.gz LYRTWMKDLDHYOU-QMMMGPOBSA-N 1 0 319.770 1.231 20 5 DDBDRO C[N@@H+]1CCCC[C@@H](CNC(=O)c2ccnc(N)c2[N+](=O)[O-])C1 ZINC000600314884 416618197 /nfs/dbraw/zinc/61/81/97/416618197.db2.gz QHCJHOWBDQSUPR-JTQLQIEISA-N 1 0 307.354 1.034 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000417188105 225236914 /nfs/dbraw/zinc/23/69/14/225236914.db2.gz VLALHJLEJXCORB-GHMZBOCLSA-N 1 0 322.365 1.495 20 5 DDBDRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000417774100 225436019 /nfs/dbraw/zinc/43/60/19/225436019.db2.gz YQKMRWIYJUEFEY-DGCLKSJQSA-N 1 0 306.366 1.564 20 5 DDBDRO Cc1c(NC(=O)C(=O)NCC2([NH+](C)C)CC2)cccc1[N+](=O)[O-] ZINC000419821950 226383848 /nfs/dbraw/zinc/38/38/48/226383848.db2.gz WAEPGRBGTMARFW-UHFFFAOYSA-N 1 0 320.349 1.052 20 5 DDBDRO O=C(N[C@@H]1CC12CC[NH2+]CC2)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000366556504 418490107 /nfs/dbraw/zinc/49/01/07/418490107.db2.gz PODIHHXYWOPHCI-GFCCVEGCSA-N 1 0 315.333 1.343 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCCC[C@@H]1CO ZINC000194361042 418543287 /nfs/dbraw/zinc/54/32/87/418543287.db2.gz BZMPORYJMHIJSV-OLZOCXBDSA-N 1 0 310.350 1.181 20 5 DDBDRO C[C@H]([NH3+])CNC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000194869528 418549782 /nfs/dbraw/zinc/54/97/82/418549782.db2.gz YKAVGXWZJRTGEE-LBPRGKRZSA-N 1 0 320.393 1.908 20 5 DDBDRO O=[N+]([O-])c1cnccc1NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000360993454 418560981 /nfs/dbraw/zinc/56/09/81/418560981.db2.gz BKRQYTSNRGXBQX-LBPRGKRZSA-N 1 0 306.366 1.325 20 5 DDBDRO O=C(N[C@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1F ZINC000361098966 418583391 /nfs/dbraw/zinc/58/33/91/418583391.db2.gz UZGUNRCXRSXVBW-JSGCOSHPSA-N 1 0 307.325 1.852 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000361108874 418585778 /nfs/dbraw/zinc/58/57/78/418585778.db2.gz MOLTYCJMMJGYQE-UONOGXRCSA-N 1 0 304.350 1.416 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000375053879 418596027 /nfs/dbraw/zinc/59/60/27/418596027.db2.gz IJANSJJBAVLURK-SMDDNHRTSA-N 1 0 319.361 1.770 20 5 DDBDRO CON(C)C(=O)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000291247254 222255725 /nfs/dbraw/zinc/25/57/25/222255725.db2.gz LSUUBCRMGCZRCU-UHFFFAOYSA-N 1 0 307.350 1.827 20 5 DDBDRO C[C@H]1C[N@H+](C)C[C@H]1c1nc(Cc2ccc([N+](=O)[O-])cn2)no1 ZINC000361262702 418614639 /nfs/dbraw/zinc/61/46/39/418614639.db2.gz OOIHAIMKVUPMRK-JOYOIKCWSA-N 1 0 303.322 1.629 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000367811328 418637516 /nfs/dbraw/zinc/63/75/16/418637516.db2.gz CYHWRNKCNWUEDY-TXEJJXNPSA-N 1 0 319.361 1.688 20 5 DDBDRO COc1ccc(OCC[N@@H+]2CC[C@H](CC(N)=O)C2)c([N+](=O)[O-])c1 ZINC000367982415 418668061 /nfs/dbraw/zinc/66/80/61/418668061.db2.gz JEHRQCUPTWCVQO-LLVKDONJSA-N 1 0 323.349 1.180 20 5 DDBDRO Nc1c(C(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cccc1[N+](=O)[O-] ZINC000371020716 418756265 /nfs/dbraw/zinc/75/62/65/418756265.db2.gz YXJKUERKDKBUIM-DGCLKSJQSA-N 1 0 318.377 1.781 20 5 DDBDRO COc1cc(C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)cc([N+](=O)[O-])c1C ZINC000422818643 227197570 /nfs/dbraw/zinc/19/75/70/227197570.db2.gz GRJXGPMBIJVWHJ-UWVGGRQHSA-N 1 0 307.350 1.734 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)C[C@@H]21 ZINC000408465702 418804079 /nfs/dbraw/zinc/80/40/79/418804079.db2.gz KQRUTQQRNIPUHA-YGRLFVJLSA-N 1 0 314.345 1.852 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000423067526 227334352 /nfs/dbraw/zinc/33/43/52/227334352.db2.gz ZMQKOXFTVQYDSP-AWEZNQCLSA-N 1 0 321.377 1.998 20 5 DDBDRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000372839449 418907200 /nfs/dbraw/zinc/90/72/00/418907200.db2.gz OOYWVLVNBPGOQL-HUUCEWRRSA-N 1 0 318.377 1.422 20 5 DDBDRO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000372871597 418910826 /nfs/dbraw/zinc/91/08/26/418910826.db2.gz QSCUGXZZQZQJPX-RNCFNFMXSA-N 1 0 315.333 1.295 20 5 DDBDRO COc1cc(C(=O)NC(C)(C)CC[NH3+])cc([N+](=O)[O-])c1OC ZINC000424048609 228222892 /nfs/dbraw/zinc/22/28/92/228222892.db2.gz RKINPSGFORBOAY-UHFFFAOYSA-N 1 0 311.338 1.469 20 5 DDBDRO CN(C(=O)C[N@@H+]1CCC[C@H]1CCO)c1ccc([N+](=O)[O-])cc1 ZINC000426220770 419412693 /nfs/dbraw/zinc/41/26/93/419412693.db2.gz SZQQOKRWRSKUSJ-ZDUSSCGKSA-N 1 0 307.350 1.404 20 5 DDBDRO CNC(=O)[C@H](C)[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000426341282 419440311 /nfs/dbraw/zinc/44/03/11/419440311.db2.gz AVJRMKKUFWMPIA-UWVGGRQHSA-N 1 0 308.338 1.036 20 5 DDBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000426884616 419565722 /nfs/dbraw/zinc/56/57/22/419565722.db2.gz YWVACVDUXKFUDI-GFCCVEGCSA-N 1 0 307.350 1.818 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)NCC2([NH+](C)C)CCCCC2)n1 ZINC000427106621 228620281 /nfs/dbraw/zinc/62/02/81/228620281.db2.gz FQWBEQPALADCNP-UHFFFAOYSA-N 1 0 323.397 1.806 20 5 DDBDRO C[C@@H]1[C@@H](CO)CCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000412079917 419634474 /nfs/dbraw/zinc/63/44/74/419634474.db2.gz LKJRHFUZRYJXID-ZWNOBZJWSA-N 1 0 307.350 1.287 20 5 DDBDRO Cc1nnc([C@H]2CC[N@H+](CCOc3ccc([N+](=O)[O-])cc3)C2)[nH]1 ZINC000412023010 419570799 /nfs/dbraw/zinc/57/07/99/419570799.db2.gz BMFQKNTXCICOJY-LBPRGKRZSA-N 1 0 317.349 1.890 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)c1 ZINC000421706658 419692362 /nfs/dbraw/zinc/69/23/62/419692362.db2.gz VKMUPIMSJYAIFF-NSHDSACASA-N 1 0 307.350 1.770 20 5 DDBDRO CC[C@@H]1CN(CCNC(=O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000428073920 419804630 /nfs/dbraw/zinc/80/46/30/419804630.db2.gz GGGKHFWJGPYMKZ-CQSZACIVSA-N 1 0 307.350 1.435 20 5 DDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000428037166 419795752 /nfs/dbraw/zinc/79/57/52/419795752.db2.gz YJHAMCITFGMLPF-XUJVJEKNSA-N 1 0 318.377 1.606 20 5 DDBDRO O=[N+]([O-])c1cccnc1N1CCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000415101726 419944184 /nfs/dbraw/zinc/94/41/84/419944184.db2.gz ICBLQFUBHAMLQU-ZDUSSCGKSA-N 1 0 305.382 1.111 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)n1 ZINC000423600266 420094323 /nfs/dbraw/zinc/09/43/23/420094323.db2.gz CDZUGNFUYAISIW-NSHDSACASA-N 1 0 309.370 1.319 20 5 DDBDRO COc1cc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc([N+](=O)[O-])c1C ZINC000423600541 420094866 /nfs/dbraw/zinc/09/48/66/420094866.db2.gz YRNQDLZOKRIPQB-BETUJISGSA-N 1 0 319.361 1.878 20 5 DDBDRO Cc1c(NC(=O)C(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000415526481 420099762 /nfs/dbraw/zinc/09/97/62/420099762.db2.gz QDEMZFJMSGLANN-GXSJLCMTSA-N 1 0 320.349 1.037 20 5 DDBDRO Cc1c(NC(=O)C(=O)N2C[C@@H](C[NH3+])C[C@H]2C)cccc1[N+](=O)[O-] ZINC000415526483 420099917 /nfs/dbraw/zinc/09/99/17/420099917.db2.gz QDEMZFJMSGLANN-MWLCHTKSSA-N 1 0 320.349 1.037 20 5 DDBDRO CCOC(=O)c1cc(C(=O)N(C)C2CC([NH3+])C2)cc([N+](=O)[O-])c1 ZINC000423705836 420134095 /nfs/dbraw/zinc/13/40/95/420134095.db2.gz LYKMFQRLXQBVAU-UHFFFAOYSA-N 1 0 321.333 1.333 20 5 DDBDRO COc1ccc(NC(=O)N[C@H]2CC[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000415447772 420070649 /nfs/dbraw/zinc/07/06/49/420070649.db2.gz ULYGXTYEWRYIPP-ZJUUUORDSA-N 1 0 308.338 1.852 20 5 DDBDRO COc1cc(C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)cc([N+](=O)[O-])c1C ZINC000423543406 420078550 /nfs/dbraw/zinc/07/85/50/420078550.db2.gz BSZYTUPHNWJCBC-MRXNPFEDSA-N 1 0 319.361 1.737 20 5 DDBDRO COc1cc(C(=O)N[C@H]2CC[NH2+]C[C@@H]2C)cc([N+](=O)[O-])c1C ZINC000423588574 420091023 /nfs/dbraw/zinc/09/10/23/420091023.db2.gz GHXJXSKAPPVHNR-CABZTGNLSA-N 1 0 307.350 1.640 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000415506737 420093206 /nfs/dbraw/zinc/09/32/06/420093206.db2.gz RVGIHZQLLFCMJQ-ZJUUUORDSA-N 1 0 308.338 1.852 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000420328710 420212359 /nfs/dbraw/zinc/21/23/59/420212359.db2.gz FLJPCWOESYKFGW-RISCZKNCSA-N 1 0 320.393 1.901 20 5 DDBDRO C[C@@H]1CCCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@H]1C[NH3+] ZINC000430580073 420145886 /nfs/dbraw/zinc/14/58/86/420145886.db2.gz HGZIPLQILVOGLF-DOMZBBRYSA-N 1 0 320.393 1.617 20 5 DDBDRO Cc1c(NC(=O)CCN2CCC[C@@H]2C[NH3+])cccc1[N+](=O)[O-] ZINC000430591874 420150179 /nfs/dbraw/zinc/15/01/79/420150179.db2.gz PAOLSDKIWFJYBN-GFCCVEGCSA-N 1 0 306.366 1.655 20 5 DDBDRO C[C@@H]1CN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC[C@H]1[NH3+] ZINC000430974490 420230039 /nfs/dbraw/zinc/23/00/39/420230039.db2.gz ZZMFHEMVIZZMKC-BXUZGUMPSA-N 1 0 318.377 1.153 20 5 DDBDRO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000420360917 420236661 /nfs/dbraw/zinc/23/66/61/420236661.db2.gz HOUVAILUZICTIX-HSMVNMDESA-N 1 0 320.393 1.534 20 5 DDBDRO Cc1c(NC(=O)[C@H](C)N2CC[NH2+][C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000420339938 420219671 /nfs/dbraw/zinc/21/96/71/420219671.db2.gz RPSWZPRFZQSXTR-JQWIXIFHSA-N 1 0 306.366 1.524 20 5 DDBDRO C[NH2+]CCCN(C)S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000420474308 420308001 /nfs/dbraw/zinc/30/80/01/420308001.db2.gz XQLQTLKNFBFQJS-UHFFFAOYSA-N 1 0 315.395 1.008 20 5 DDBDRO CSc1ccc(C(=O)NC[C@@H]2C[NH2+]CCO2)cc1[N+](=O)[O-] ZINC000423989778 420292778 /nfs/dbraw/zinc/29/27/78/420292778.db2.gz ISWPADOUXIWFHK-JTQLQIEISA-N 1 0 311.363 1.035 20 5 DDBDRO O=C(N1CCc2ccc([N+](=O)[O-])cc2C1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000435900109 420294035 /nfs/dbraw/zinc/29/40/35/420294035.db2.gz ZGJPYEKDWKPZHJ-RHSMWYFYSA-N 1 0 315.373 1.869 20 5 DDBDRO Cc1cc(S(=O)(=O)NC[C@H](C)[NH+](C)C)c(C)cc1[N+](=O)[O-] ZINC000416499018 420396929 /nfs/dbraw/zinc/39/69/29/420396929.db2.gz XEGADGZABUDHCT-NSHDSACASA-N 1 0 315.395 1.440 20 5 DDBDRO Cc1cc(S(=O)(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000447248990 230348833 /nfs/dbraw/zinc/34/88/33/230348833.db2.gz VQUVYLNSXFZLEQ-WDEREUQCSA-N 1 0 313.379 1.261 20 5 DDBDRO O=[N+]([O-])c1cc(Cl)cnc1NC[C@@H]1CCCC[N@H+]1CCO ZINC000450619985 420499566 /nfs/dbraw/zinc/49/95/66/420499566.db2.gz UVUQPTZGNXVGQS-NSHDSACASA-N 1 0 314.773 1.902 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC000452784242 420661613 /nfs/dbraw/zinc/66/16/13/420661613.db2.gz OETKDMTYJDSHDZ-CYBMUJFWSA-N 1 0 321.377 1.480 20 5 DDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C[C@H](C[NH3+])C[C@H]1C ZINC000442759114 420708747 /nfs/dbraw/zinc/70/87/47/420708747.db2.gz KGJMNTNXFKZLLW-UTUOFQBUSA-N 1 0 306.366 1.591 20 5 DDBDRO CC[C@H]([NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)C(=O)NC ZINC000453408660 420724323 /nfs/dbraw/zinc/72/43/23/420724323.db2.gz QQJWYKVQPJGTJV-SRVKXCTJSA-N 1 0 309.370 1.389 20 5 DDBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2C[C@H](O)[C@@H](CO)C2)o1 ZINC000459712813 420855285 /nfs/dbraw/zinc/85/52/85/420855285.db2.gz RTXHBDLSVLIVMA-ABAIWWIYSA-N 1 0 318.329 1.640 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCN1CCC(O)CC1 ZINC000449651659 421045855 /nfs/dbraw/zinc/04/58/55/421045855.db2.gz OJKZDKPUCLFQTH-CYBMUJFWSA-N 1 0 307.394 1.572 20 5 DDBDRO Cc1ccc(C[NH2+]C[C@@H]2CCCN2CCCO)cc1[N+](=O)[O-] ZINC000449387359 421002565 /nfs/dbraw/zinc/00/25/65/421002565.db2.gz LDVDOKAWWRTBAU-HNNXBMFYSA-N 1 0 307.394 1.840 20 5 DDBDRO C[C@H]([NH3+])[C@H](C)NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000449585299 421031996 /nfs/dbraw/zinc/03/19/96/421031996.db2.gz FWYLQIBVOYJDNC-UWVGGRQHSA-N 1 0 303.322 1.246 20 5 DDBDRO C[C@H]([NH3+])[C@H](C)NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000449604974 421036855 /nfs/dbraw/zinc/03/68/55/421036855.db2.gz VHXUYBMDXZXLHW-UWVGGRQHSA-N 1 0 303.322 1.246 20 5 DDBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(NC)n2)C1 ZINC000455807386 421064432 /nfs/dbraw/zinc/06/44/32/421064432.db2.gz YXFBJLKAPHWNDJ-LLVKDONJSA-N 1 0 321.381 1.588 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CC[C@H](C(N)=O)C1 ZINC000449747228 421074140 /nfs/dbraw/zinc/07/41/40/421074140.db2.gz WEAMQRJZGPDAFW-CMPLNLGQSA-N 1 0 307.350 1.737 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CCCn2ccnc2)c1 ZINC000560267415 421242579 /nfs/dbraw/zinc/24/25/79/421242579.db2.gz CEESBBYVOYCUGR-AWEZNQCLSA-N 1 0 320.349 1.211 20 5 DDBDRO C[C@]1(CO)CCC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000546104471 421284541 /nfs/dbraw/zinc/28/45/41/421284541.db2.gz KHFGXGRUUMSMHX-UKRRQHHQSA-N 1 0 310.350 1.181 20 5 DDBDRO C[N@@H+]1CC[C@]2(CCN(C(=O)NCc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000562351221 421355024 /nfs/dbraw/zinc/35/50/24/421355024.db2.gz SBNFYAHJSSFMEV-INIZCTEOSA-N 1 0 318.377 1.832 20 5 DDBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[N@H+](C)C(C)(C)C1 ZINC000563665370 421533251 /nfs/dbraw/zinc/53/32/51/421533251.db2.gz DDKXGVLTBDEEOY-LBPRGKRZSA-N 1 0 320.393 1.948 20 5 DDBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000572882979 421877856 /nfs/dbraw/zinc/87/78/56/421877856.db2.gz WIOLGKUKJJTWTF-WDEREUQCSA-N 1 0 317.349 1.636 20 5 DDBDRO C[C@H](O)[C@H]1CCC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000543141264 421834132 /nfs/dbraw/zinc/83/41/32/421834132.db2.gz USEHCVPIPDLEBB-IHRRRGAJSA-N 1 0 324.377 1.427 20 5 DDBDRO CC[NH+](CC)CCOCCNC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000544587429 421845958 /nfs/dbraw/zinc/84/59/58/421845958.db2.gz DQUVAFYOCLRHFB-UHFFFAOYSA-N 1 0 323.393 1.991 20 5 DDBDRO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(c2ncc([N+](=O)[O-])cc2F)C1 ZINC000581297517 421942386 /nfs/dbraw/zinc/94/23/86/421942386.db2.gz UAWSPTVFDZKEPS-STQMWFEESA-N 1 0 324.356 1.818 20 5 DDBDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000594282473 422344996 /nfs/dbraw/zinc/34/49/96/422344996.db2.gz QGZDBNIXYIOQPE-PHIMTYICSA-N 1 0 321.381 1.565 20 5 DDBDRO Nc1ccc(NC[C@H]2CC[N@@H+]2Cc2ccccc2)nc1[N+](=O)[O-] ZINC000596559443 422379962 /nfs/dbraw/zinc/37/99/62/422379962.db2.gz YPNIWIAOKYUXQH-CYBMUJFWSA-N 1 0 313.361 2.258 20 5 DDBDRO C[NH2+]Cc1ccc(NC(=O)Cn2cc([N+](=O)[O-])nc2C)cc1 ZINC000577851795 422441665 /nfs/dbraw/zinc/44/16/65/422441665.db2.gz LHZICGINZVJJII-UHFFFAOYSA-N 1 0 303.322 1.458 20 5 DDBDRO COc1ccc(CC(=O)N2CC[C@@H]([NH3+])C[C@@H]2C)cc1[N+](=O)[O-] ZINC000577861555 422444619 /nfs/dbraw/zinc/44/46/19/422444619.db2.gz FGSCWLNBHMETGT-CMPLNLGQSA-N 1 0 307.350 1.484 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000577721617 422412754 /nfs/dbraw/zinc/41/27/54/422412754.db2.gz VSCQZTXEYUUGEJ-IMSIIYSGSA-N 1 0 307.350 1.720 20 5 DDBDRO [NH3+]CC[C@H]1CCCN(C(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000578121462 422500272 /nfs/dbraw/zinc/50/02/72/422500272.db2.gz GTOHSJDZNJJPMA-GFCCVEGCSA-N 1 0 306.366 1.865 20 5 DDBDRO C[C@@H]1CCCN(C(=O)COc2cccc([N+](=O)[O-])c2)[C@@H]1C[NH3+] ZINC000237502693 263579622 /nfs/dbraw/zinc/57/96/22/263579622.db2.gz DUEFTCHTZGMPKD-BXUZGUMPSA-N 1 0 307.350 1.559 20 5 DDBDRO CNc1ccc(C(=O)N2CCC[C@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000316314263 271016417 /nfs/dbraw/zinc/01/64/17/271016417.db2.gz KTQQFMPPLUUZLM-LBPRGKRZSA-N 1 0 306.366 1.803 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H](C2CC2)[NH+](C)C)n1 ZINC000342047814 271281617 /nfs/dbraw/zinc/28/16/17/271281617.db2.gz XUZTZPTZERFRME-GFCCVEGCSA-N 1 0 308.338 1.529 20 5 DDBDRO COc1cc(C[NH2+][C@@H]2CCC(=O)N[C@@H]2C2CC2)ccc1[N+](=O)[O-] ZINC000342053283 271283556 /nfs/dbraw/zinc/28/35/56/271283556.db2.gz WFYXPUPVKGMKNU-MLGOLLRUSA-N 1 0 319.361 1.750 20 5 DDBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@]1(O)CCN(C)C1 ZINC000344869419 272132609 /nfs/dbraw/zinc/13/26/09/272132609.db2.gz RSIKXSZJQXYRFY-LPDYGMJQSA-N 1 0 305.378 1.654 20 5 DDBDRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000345923100 272365760 /nfs/dbraw/zinc/36/57/60/272365760.db2.gz QJPUVYDDXVDPQP-BETUJISGSA-N 1 0 320.393 1.996 20 5 DDBDRO CC[C@@H](C)[NH+]1CCN(c2c(C(N)=O)cccc2[N+](=O)[O-])CC1 ZINC000420623869 273716386 /nfs/dbraw/zinc/71/63/86/273716386.db2.gz FVWULJNVRINEGQ-LLVKDONJSA-N 1 0 306.366 1.614 20 5 DDBDRO C[NH+](C)C[C@@H]1CN(c2nccc3c2cccc3[N+](=O)[O-])CCO1 ZINC000450321887 273799397 /nfs/dbraw/zinc/79/93/97/273799397.db2.gz VTMABRBLIDNMLW-GFCCVEGCSA-N 1 0 316.361 1.910 20 5 DDBDRO C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000155376734 274335875 /nfs/dbraw/zinc/33/58/75/274335875.db2.gz LHJAFAGRUYWANG-CHWSQXEVSA-N 1 0 320.393 1.582 20 5 DDBDRO CC1(CNC(=O)CCOc2ccccc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000183317006 276167528 /nfs/dbraw/zinc/16/75/28/276167528.db2.gz LDOWSIOLNSZBLS-UHFFFAOYSA-N 1 0 321.377 1.870 20 5 DDBDRO C[N@@H+]1CCC[C@H]2CN(c3nccc(C(N)=O)c3[N+](=O)[O-])CC[C@H]21 ZINC000290497368 277085109 /nfs/dbraw/zinc/08/51/09/277085109.db2.gz ALVTTYSONHAHAQ-CMPLNLGQSA-N 1 0 319.365 1.009 20 5 DDBDRO C[NH2+]C[C@H]1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000420186967 277286435 /nfs/dbraw/zinc/28/64/35/277286435.db2.gz LLFJZMDITROUCO-SNVBAGLBSA-N 1 0 303.322 1.691 20 5 DDBDRO CS[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])s2)C[C@@H]1[NH+](C)C ZINC000271019443 278165348 /nfs/dbraw/zinc/16/53/48/278165348.db2.gz HTLVLBULCOQFDK-WPRPVWTQSA-N 1 0 315.420 1.774 20 5 DDBDRO C[C@@H]([NH2+]CCCN1CCC[C@@H]1C(N)=O)c1ccc([N+](=O)[O-])cc1 ZINC000268966066 278345197 /nfs/dbraw/zinc/34/51/97/278345197.db2.gz YMDCZEFZDXGTBS-IUODEOHRSA-N 1 0 320.393 1.585 20 5 DDBDRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000193538440 279031285 /nfs/dbraw/zinc/03/12/85/279031285.db2.gz SQHKHLTWKSAQRO-RYUDHWBXSA-N 1 0 306.366 1.654 20 5 DDBDRO C[C@@H]1[C@H](N2CCOCC2)CC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000289813695 279118340 /nfs/dbraw/zinc/11/83/40/279118340.db2.gz NPUXYNTYOUQVMO-UKRRQHHQSA-N 1 0 305.378 1.890 20 5 DDBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1c([N+](=O)[O-])cnn1C ZINC000408121487 280115337 /nfs/dbraw/zinc/11/53/37/280115337.db2.gz ODBQZITVONVRHH-WDEREUQCSA-N 1 0 307.354 1.027 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCC[C@H](C)[NH3+])c1C ZINC000178914743 281015825 /nfs/dbraw/zinc/01/58/25/281015825.db2.gz AGBISDIDXJMKCX-VIFPVBQESA-N 1 0 301.368 1.227 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000420306758 281021107 /nfs/dbraw/zinc/02/11/07/281021107.db2.gz BBXJLPPCFDPGHN-HOCLYGCPSA-N 1 0 318.421 1.944 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC[NH+](C3CC3)CC2)c1 ZINC000125908896 281220153 /nfs/dbraw/zinc/22/01/53/281220153.db2.gz TZTXPNJNHDTIHG-OAHLLOKOSA-N 1 0 321.377 1.115 20 5 DDBDRO CNc1c(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000322068697 298259669 /nfs/dbraw/zinc/25/96/69/298259669.db2.gz WIDLFFWMHAHJKK-GFCCVEGCSA-N 1 0 318.377 1.947 20 5 DDBDRO NC(=O)c1ccc(C[N@@H+]2CCC[C@H]3COCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000362454460 300067550 /nfs/dbraw/zinc/06/75/50/300067550.db2.gz QNQJGKAMIONJMU-KBPBESRZSA-N 1 0 319.361 1.695 20 5 DDBDRO C[NH+]1C[C@@H]2CN(c3nc(-c4ccc([N+](=O)[O-])cc4)no3)C[C@H]2C1 ZINC000362663733 300113110 /nfs/dbraw/zinc/11/31/10/300113110.db2.gz LTNMMIIVEMAHKZ-VXGBXAGGSA-N 1 0 315.333 1.643 20 5 DDBDRO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC[NH+](Cc2ccccc2)CC1 ZINC000362985818 300194295 /nfs/dbraw/zinc/19/42/95/300194295.db2.gz JVZOOQBEOJIVBQ-HZPDHXFCSA-N 1 0 317.389 1.775 20 5 DDBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@H](N2CCOCC2)C1 ZINC000363111426 300213344 /nfs/dbraw/zinc/21/33/44/300213344.db2.gz SYSWOXCUPBZECE-AWEZNQCLSA-N 1 0 319.361 1.708 20 5 DDBDRO Cc1c(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cccc1[N+](=O)[O-] ZINC000363689699 300296323 /nfs/dbraw/zinc/29/63/23/300296323.db2.gz GWNPRVCFQTYLCF-QWHCGFSZSA-N 1 0 319.361 1.496 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCOCC3(CCCC3)C2)c1 ZINC000364322098 300375891 /nfs/dbraw/zinc/37/58/91/300375891.db2.gz DOKOMUQWSWULDN-CQSZACIVSA-N 1 0 324.381 1.045 20 5 DDBDRO COc1cc(C(=O)N2CCC3(CC[NH2+]3)CC2)ccc1[N+](=O)[O-] ZINC000574690612 304675520 /nfs/dbraw/zinc/67/55/20/304675520.db2.gz GEBYSCGQCBCHQS-UHFFFAOYSA-N 1 0 305.334 1.572 20 5 DDBDRO O=[N+]([O-])c1cccc(CN2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c1 ZINC000369234878 301147562 /nfs/dbraw/zinc/14/75/62/301147562.db2.gz GCSQBHFHGIFESZ-HOTGVXAUSA-N 1 0 305.378 1.626 20 5 DDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCc3c[nH]nc3C2)c([N+](=O)[O-])c1 ZINC000369326964 301165040 /nfs/dbraw/zinc/16/50/40/301165040.db2.gz MWAVGBSZASRDSF-NSHDSACASA-N 1 0 317.305 1.873 20 5 DDBDRO Cc1nn(CCC(=O)N(C)[C@@H]2CCC[NH2+]CC2)c(C)c1[N+](=O)[O-] ZINC000369750115 301220330 /nfs/dbraw/zinc/22/03/30/301220330.db2.gz LDMBHMISZHXZQY-CYBMUJFWSA-N 1 0 323.397 1.399 20 5 DDBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@H]1C[C@@H]1[N+](=O)[O-] ZINC000370163938 301286670 /nfs/dbraw/zinc/28/66/70/301286670.db2.gz UURHDVPYWKHEFK-OEAJRASXSA-N 1 0 317.389 1.678 20 5 DDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000375835322 302001774 /nfs/dbraw/zinc/00/17/74/302001774.db2.gz TTZKPXWQGSVKOK-TVYUQYBPSA-N 1 0 304.350 1.376 20 5 DDBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000375901063 302013270 /nfs/dbraw/zinc/01/32/70/302013270.db2.gz LCRMPXIPYXJENA-AAEUAGOBSA-N 1 0 304.350 1.689 20 5 DDBDRO O=C(Cn1cc([N+](=O)[O-])cn1)Nc1cccc2c1C[NH2+]CC2 ZINC000375986408 302019421 /nfs/dbraw/zinc/01/94/21/302019421.db2.gz DNAIEJASAQPIGY-UHFFFAOYSA-N 1 0 301.306 1.076 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000375994947 302021186 /nfs/dbraw/zinc/02/11/86/302021186.db2.gz OJLALPCUDGNNMF-BZPMIXESSA-N 1 0 308.382 1.844 20 5 DDBDRO C[C@@H]1[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000377079657 302140495 /nfs/dbraw/zinc/14/04/95/302140495.db2.gz CVGROMQSKOONJR-NMFUWQPSSA-N 1 0 303.362 1.431 20 5 DDBDRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc([N+](=O)[O-])cc1F ZINC000377510191 302187492 /nfs/dbraw/zinc/18/74/92/302187492.db2.gz FKHBQBSVJBESCW-RYUDHWBXSA-N 1 0 323.324 1.327 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC(C)(C)CC[NH3+])c1C ZINC000397182960 302352324 /nfs/dbraw/zinc/35/23/24/302352324.db2.gz JZPAKBMNIKUMEZ-UHFFFAOYSA-N 1 0 315.395 1.617 20 5 DDBDRO C[C@@H]1C[C@H](C)N(C(=O)Cc2cccc([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000397253177 302352851 /nfs/dbraw/zinc/35/28/51/302352851.db2.gz QBXNSBQWOKDVND-DYEKYZERSA-N 1 0 305.378 1.969 20 5 DDBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1cc([N+](=O)[O-])cn1C ZINC000515320427 302772178 /nfs/dbraw/zinc/77/21/78/302772178.db2.gz OWPDMEDIBZKLMK-AAEUAGOBSA-N 1 0 306.366 1.632 20 5 DDBDRO Cc1nn(CCC(=O)NC[C@@H](C2CC2)[NH+](C)C)c(C)c1[N+](=O)[O-] ZINC000102489556 302805295 /nfs/dbraw/zinc/80/52/95/302805295.db2.gz MCBASTTUZJBOLJ-ZDUSSCGKSA-N 1 0 323.397 1.255 20 5 DDBDRO C[C@H]([NH2+]C[C@@H](O)COC1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000519635713 302845819 /nfs/dbraw/zinc/84/58/19/302845819.db2.gz COHKRLRGUDJPNG-SWLSCSKDSA-N 1 0 324.377 1.802 20 5 DDBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000357526112 306891639 /nfs/dbraw/zinc/89/16/39/306891639.db2.gz DPOVCGGZMFRUEN-JQWIXIFHSA-N 1 0 319.365 1.152 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000533226805 303313923 /nfs/dbraw/zinc/31/39/23/303313923.db2.gz MECGHNAZOORVMU-NSHDSACASA-N 1 0 321.381 1.752 20 5 DDBDRO CN(CCN1CCCC1=O)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000533433766 303318386 /nfs/dbraw/zinc/31/83/86/303318386.db2.gz ZWFPYKOSIWNOEX-UHFFFAOYSA-N 1 0 320.349 1.088 20 5 DDBDRO CC[NH+](CC)CC[C@H](CO)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000537718946 303378404 /nfs/dbraw/zinc/37/84/04/303378404.db2.gz XAQVYZTYERHIQZ-CYBMUJFWSA-N 1 0 309.366 1.417 20 5 DDBDRO O=C(CCC1CC[NH2+]CC1)NCCNc1ccccc1[N+](=O)[O-] ZINC000237956090 303577298 /nfs/dbraw/zinc/57/72/98/303577298.db2.gz DGGRKVIMCOAEAX-UHFFFAOYSA-N 1 0 320.393 1.903 20 5 DDBDRO C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])c2ccccc2O1 ZINC000363880738 307037214 /nfs/dbraw/zinc/03/72/14/307037214.db2.gz XXUYILCFNCAXFZ-NQBHXWOUSA-N 1 0 305.334 1.007 20 5 DDBDRO COc1ccc(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000363939919 307038262 /nfs/dbraw/zinc/03/82/62/307038262.db2.gz VKHWGRNMCGBCGF-CHWSQXEVSA-N 1 0 319.361 1.960 20 5 DDBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N[C@@H]1CCC[NH2+]CC1 ZINC000363997210 307039321 /nfs/dbraw/zinc/03/93/21/307039321.db2.gz HUBKEIUUSADVQE-GFCCVEGCSA-N 1 0 306.366 1.655 20 5 DDBDRO O=C1CC[C@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)[C@H](C2CC2)N1 ZINC000367446257 307093782 /nfs/dbraw/zinc/09/37/82/307093782.db2.gz CPJNQAKSANIGRU-HOCLYGCPSA-N 1 0 319.361 1.620 20 5 DDBDRO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@H](O)CC(F)(F)F)CC2)n1 ZINC000369683550 307126720 /nfs/dbraw/zinc/12/67/20/307126720.db2.gz MQRGDGCYNWDLBA-SNVBAGLBSA-N 1 0 322.287 1.742 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000424018581 307301234 /nfs/dbraw/zinc/30/12/34/307301234.db2.gz ITKYODNKDSNIIP-ZDUSSCGKSA-N 1 0 321.377 1.710 20 5 DDBDRO CNC(=O)OC[C@@H]1CCCCN1Cc1c([N+](=O)[O-])ncn1C ZINC000495776503 307318057 /nfs/dbraw/zinc/31/80/57/307318057.db2.gz VZASSKLIIBMMGC-JTQLQIEISA-N 1 0 311.342 1.039 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CCC3CCOCC3)CC2)cn1 ZINC000567446018 308080855 /nfs/dbraw/zinc/08/08/55/308080855.db2.gz QBDDUYZKLNMYJF-UHFFFAOYSA-N 1 0 320.393 1.929 20 5 DDBDRO COc1ccc(CC(=O)N2CCC([C@@H](C)[NH3+])CC2)cc1[N+](=O)[O-] ZINC000569692067 308146068 /nfs/dbraw/zinc/14/60/68/308146068.db2.gz XTQSQLYNCCQEEX-LLVKDONJSA-N 1 0 321.377 1.732 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H]2CCCc3occc32)c1 ZINC000572952645 308228108 /nfs/dbraw/zinc/22/81/08/308228108.db2.gz BHSWZOSSEVAKCM-WCQYABFASA-N 1 0 306.322 1.412 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2CCCc3occc32)c1 ZINC000572952646 308228276 /nfs/dbraw/zinc/22/82/76/308228276.db2.gz BHSWZOSSEVAKCM-YPMHNXCESA-N 1 0 306.322 1.412 20 5 DDBDRO COc1cccc(C(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])c1[N+](=O)[O-] ZINC000580063573 308576797 /nfs/dbraw/zinc/57/67/97/308576797.db2.gz ODQDZGJOLWMZCI-ZYHUDNBSSA-N 1 0 307.350 1.945 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)n1 ZINC000581189426 308660115 /nfs/dbraw/zinc/66/01/15/308660115.db2.gz OUXHMGFMYNSKHH-LBPRGKRZSA-N 1 0 321.381 1.273 20 5 DDBDRO C[C@@H]1C[NH2+]C[C@H]1NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001120645662 782069919 /nfs/dbraw/zinc/06/99/19/782069919.db2.gz ZIZGCJMEHSNGRM-BXUZGUMPSA-N 1 0 318.377 1.877 20 5 DDBDRO CC(C)O[C@H]1C[C@@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000582057886 325961696 /nfs/dbraw/zinc/96/16/96/325961696.db2.gz IQYVGHDDFMREGD-XPKDYRNWSA-N 1 0 324.377 1.880 20 5 DDBDRO C[NH+](C)C[C@@H](O)CN[C@@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000584118271 331835756 /nfs/dbraw/zinc/83/57/56/331835756.db2.gz PHKUMBRGCQCDAC-RYUDHWBXSA-N 1 0 321.299 1.710 20 5 DDBDRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000583370913 332366460 /nfs/dbraw/zinc/36/64/60/332366460.db2.gz GSHVLXZLUAFJBE-FZMZJTMJSA-N 1 0 322.365 1.271 20 5 DDBDRO C[C@H](O)C[C@H](C)C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000582486214 337097485 /nfs/dbraw/zinc/09/74/85/337097485.db2.gz HVHRTTCSDCJQHK-AVGNSLFASA-N 1 0 312.366 1.331 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@@H]2CCC(F)(F)C2)c1 ZINC000584465691 337346852 /nfs/dbraw/zinc/34/68/52/337346852.db2.gz WVLQGTZEZLBKKD-MWLCHTKSSA-N 1 0 304.297 1.177 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CC[C@H](n3cncn3)C2)c1 ZINC000372370476 483932466 /nfs/dbraw/zinc/93/24/66/483932466.db2.gz UBSAKUIZRVSRHK-KBPBESRZSA-N 1 0 303.322 1.167 20 5 DDBDRO Cc1nc(NCCCN2CCC[N@@H+](C)CC2)ccc1[N+](=O)[O-] ZINC000610754767 483936531 /nfs/dbraw/zinc/93/65/31/483936531.db2.gz GUZLDHXIWKUECD-UHFFFAOYSA-N 1 0 307.398 1.738 20 5 DDBDRO CN(C)c1noc([C@H]2CCCN2CCn2cc([N+](=O)[O-])cn2)n1 ZINC000374529286 483941123 /nfs/dbraw/zinc/94/11/23/483941123.db2.gz IEDRGGFFDLALEG-LLVKDONJSA-N 1 0 321.341 1.077 20 5 DDBDRO Cc1c(CNC(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)cccc1[N+](=O)[O-] ZINC000418078419 533856433 /nfs/dbraw/zinc/85/64/33/533856433.db2.gz JHEWAKQMUWFDQN-WCQYABFASA-N 1 0 306.366 1.782 20 5 DDBDRO C[C@@H]1OCC[C@@]1(C)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000494281661 534187837 /nfs/dbraw/zinc/18/78/37/534187837.db2.gz HAJYXKUYNADSQQ-YWPYICTPSA-N 1 0 310.350 1.492 20 5 DDBDRO O=C(NCCNc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000444138908 534358270 /nfs/dbraw/zinc/35/82/70/534358270.db2.gz JNRAJXNGSNCDOG-DZGCQCFKSA-N 1 0 304.350 1.123 20 5 DDBDRO C[NH2+]C[C@H]1CCCN1S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000156615419 522087233 /nfs/dbraw/zinc/08/72/33/522087233.db2.gz JESDCFRWDCACTR-CYBMUJFWSA-N 1 0 313.379 1.108 20 5 DDBDRO CC(C)(C)[NH2+]CCNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000302632133 526332523 /nfs/dbraw/zinc/33/25/23/526332523.db2.gz JLRNPNJLDXNJJK-UHFFFAOYSA-N 1 0 315.395 1.798 20 5 DDBDRO CC(C)(C(=O)N1CCCO[C@@H](C[NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC000424025192 527504911 /nfs/dbraw/zinc/50/49/11/527504911.db2.gz ROPLLTDEEVNEDD-AWEZNQCLSA-N 1 0 321.377 1.449 20 5 DDBDRO CCOC(=O)c1cc(C(=O)NC(C)(C)CC[NH3+])cc([N+](=O)[O-])c1 ZINC000424046823 528143461 /nfs/dbraw/zinc/14/34/61/528143461.db2.gz MANAWKCOONKUIW-UHFFFAOYSA-N 1 0 323.349 1.629 20 5 DDBDRO CCOC(=O)c1cc(C(=O)NC[C@H](C)C[NH3+])cc([N+](=O)[O-])c1 ZINC000423463800 528147711 /nfs/dbraw/zinc/14/77/11/528147711.db2.gz VILYCVPTMMIYLX-SECBINFHSA-N 1 0 309.322 1.096 20 5 DDBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000330833961 528183268 /nfs/dbraw/zinc/18/32/68/528183268.db2.gz HUUCWVHFZQSFCU-LLVKDONJSA-N 1 0 321.381 1.376 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](C[NH3+])C2)c1 ZINC000297292477 528610596 /nfs/dbraw/zinc/61/05/96/528610596.db2.gz DDTHFJBSRWHZCN-NSHDSACASA-N 1 0 307.350 1.804 20 5 DDBDRO CC1(C)CN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000417213439 529085320 /nfs/dbraw/zinc/08/53/20/529085320.db2.gz CFYAKKJSJNLDIK-UHFFFAOYSA-N 1 0 306.366 1.531 20 5 DDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CC[NH+](CC(C)(C)O)CC1 ZINC000336868529 535969087 /nfs/dbraw/zinc/96/90/87/535969087.db2.gz WYBWDYZFEYMODK-UHFFFAOYSA-N 1 0 311.386 1.013 20 5 DDBDRO CC[N@H+](CCNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-])C(C)C ZINC000821213796 606706444 /nfs/dbraw/zinc/70/64/44/606706444.db2.gz DXIWRGPZGIZEEB-UHFFFAOYSA-N 1 0 320.357 1.312 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H](C[NH3+])C2)cc1C ZINC000050246575 696229749 /nfs/dbraw/zinc/22/97/49/696229749.db2.gz NGXDFCPUTONLOR-NSHDSACASA-N 1 0 313.379 1.181 20 5 DDBDRO CCCC[N@H+](C)CCNC(=O)c1cc(C)cc([N+](=O)[O-])c1N ZINC000112401299 696650511 /nfs/dbraw/zinc/65/05/11/696650511.db2.gz UOYVKRUXPUOUPF-UHFFFAOYSA-N 1 0 308.382 1.947 20 5 DDBDRO CC[NH+]1CCC(NS(=O)(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000119504355 696681431 /nfs/dbraw/zinc/68/14/31/696681431.db2.gz QHAWWFPBQLLIOD-UHFFFAOYSA-N 1 0 319.408 1.419 20 5 DDBDRO CCOC(C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)OCC ZINC000124994433 696748350 /nfs/dbraw/zinc/74/83/50/696748350.db2.gz VAUTUHLBYRFDBB-GFCCVEGCSA-N 1 0 324.381 1.875 20 5 DDBDRO Cc1n[nH]c(C(=O)N2CCCC3(CC[NH+](C)CC3)C2)c1[N+](=O)[O-] ZINC000799029182 700110940 /nfs/dbraw/zinc/11/09/40/700110940.db2.gz UMAQNSPUYNKVHA-UHFFFAOYSA-N 1 0 321.381 1.574 20 5 DDBDRO C[C@]12CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@@]1(C)C[N@H+](CCCF)C2 ZINC000982278677 697082003 /nfs/dbraw/zinc/08/20/03/697082003.db2.gz OAQCNKUBUYFGKM-GBOPCIDUSA-N 1 0 313.373 1.182 20 5 DDBDRO CCNS(=O)(=O)CC[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000221996695 697756000 /nfs/dbraw/zinc/75/60/00/697756000.db2.gz YIKXZZDLUIVHCH-LLVKDONJSA-N 1 0 315.395 1.493 20 5 DDBDRO COc1cc(C(=O)NC2CC([NH+](C)C)C2)c([N+](=O)[O-])cc1OC ZINC000773485235 697766918 /nfs/dbraw/zinc/76/69/18/697766918.db2.gz BQHCQBUZVXVNAR-UHFFFAOYSA-N 1 0 323.349 1.434 20 5 DDBDRO Cc1nn(C[N@H+](C)C[C@H]2CCOC2)c2ncc([N+](=O)[O-])cc12 ZINC000749964589 700195445 /nfs/dbraw/zinc/19/54/45/700195445.db2.gz QJWJZPYRTNKTPX-LLVKDONJSA-N 1 0 305.338 1.574 20 5 DDBDRO CCO[C@@H]1COCC[C@H]1[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776489099 698110841 /nfs/dbraw/zinc/11/08/41/698110841.db2.gz YQPQKKYKHPNWMO-RBSFLKMASA-N 1 0 310.350 1.412 20 5 DDBDRO CC(=O)NC[C@@H]1CCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776580555 698120515 /nfs/dbraw/zinc/12/05/15/698120515.db2.gz WJWWKQOYHIPELB-BBRMVZONSA-N 1 0 321.377 1.476 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)CN2CC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000776581385 698121105 /nfs/dbraw/zinc/12/11/05/698121105.db2.gz INGBFWKVJNLBTM-HOTGVXAUSA-N 1 0 305.378 1.798 20 5 DDBDRO COC[C@]1(CNC(=O)Nc2ccc([N+](=O)[O-])cc2)CCC[NH2+]1 ZINC000262505675 698472962 /nfs/dbraw/zinc/47/29/62/698472962.db2.gz MKKGWSXVPKSKKG-CQSZACIVSA-N 1 0 308.338 1.485 20 5 DDBDRO C[NH+](C)CCCNC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000781560859 698630880 /nfs/dbraw/zinc/63/08/80/698630880.db2.gz GJFNYNOXYNRMMR-UHFFFAOYSA-N 1 0 324.337 1.504 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@H]2CCc3ccccc3OC2)c1 ZINC000338323003 698781142 /nfs/dbraw/zinc/78/11/42/698781142.db2.gz LEGADTWNJNUTLJ-ZDUSSCGKSA-N 1 0 302.334 1.775 20 5 DDBDRO COc1cc(CN2CC[C@@]3(CCC[NH2+]3)C2)c([N+](=O)[O-])cc1OC ZINC000415141843 699129220 /nfs/dbraw/zinc/12/92/20/699129220.db2.gz XXGJISNHHYLQBO-INIZCTEOSA-N 1 0 321.377 1.940 20 5 DDBDRO COc1ccc(C(=O)N[C@H](C[NH+](C)C)C(C)C)cc1[N+](=O)[O-] ZINC000733168012 699581844 /nfs/dbraw/zinc/58/18/44/699581844.db2.gz QFAYVBIPTSIBLW-GFCCVEGCSA-N 1 0 309.366 1.919 20 5 DDBDRO COc1cc(C(=O)N2CCN(C)[C@H](C)C2)cc([N+](=O)[O-])c1C ZINC000790679152 699591509 /nfs/dbraw/zinc/59/15/09/699591509.db2.gz SWGWABALMOPUOZ-SNVBAGLBSA-N 1 0 307.350 1.688 20 5 DDBDRO CN(CCc1ccccc1[N+](=O)[O-])C[C@H](O)C[NH+]1CCCC1 ZINC000796112229 699913136 /nfs/dbraw/zinc/91/31/36/699913136.db2.gz INODRDDTPZBKFP-HNNXBMFYSA-N 1 0 307.394 1.526 20 5 DDBDRO CC(C)([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC1 ZINC000796583620 699941028 /nfs/dbraw/zinc/94/10/28/699941028.db2.gz GBSZSCBKEDUSJH-AWEZNQCLSA-N 1 0 321.377 1.619 20 5 DDBDRO COC(=O)C[C@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000754541721 700510209 /nfs/dbraw/zinc/51/02/09/700510209.db2.gz REZXWSYUAKWSCE-AWEZNQCLSA-N 1 0 308.334 1.905 20 5 DDBDRO COC(=O)/C=C\c1ccc(N[C@H](CO)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000809341505 701659534 /nfs/dbraw/zinc/65/95/34/701659534.db2.gz SDYCSOQEHRRZKC-HWPRWLFBSA-N 1 0 323.349 1.115 20 5 DDBDRO COC(=O)/C=C/c1ccc(N[C@@H](CO)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000809341504 701659568 /nfs/dbraw/zinc/65/95/68/701659568.db2.gz SDYCSOQEHRRZKC-HOSRBBHYSA-N 1 0 323.349 1.115 20 5 DDBDRO C[NH+](C)C[C@H](O)CNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000756940573 700649484 /nfs/dbraw/zinc/64/94/84/700649484.db2.gz OLDPMAZFFXKCDT-SECBINFHSA-N 1 0 307.272 1.948 20 5 DDBDRO NC(=O)c1cccc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)c1 ZINC000809734846 701683710 /nfs/dbraw/zinc/68/37/10/701683710.db2.gz MBXHSJWHRBZYJI-UHFFFAOYSA-N 1 0 314.345 1.659 20 5 DDBDRO O=C1[C@H]([NH2+][C@H](CO)C2CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000771812346 701332363 /nfs/dbraw/zinc/33/23/63/701332363.db2.gz HMLNNPYFCUEOOS-ZIAGYGMSSA-N 1 0 305.334 1.061 20 5 DDBDRO C[C@]12C[N@H+](Cc3cc(F)ccc3[N+](=O)[O-])C[C@@]1(C)C(=O)NC2=O ZINC000879157384 706602030 /nfs/dbraw/zinc/60/20/30/706602030.db2.gz IHSLXICEFONDCQ-GASCZTMLSA-N 1 0 321.308 1.219 20 5 DDBDRO NC(=O)C1([NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000839519337 701722665 /nfs/dbraw/zinc/72/26/65/701722665.db2.gz NAXXTAJCFLYBDT-UHFFFAOYSA-N 1 0 320.349 1.311 20 5 DDBDRO CC(C)(C(=O)O[C@H]1CC[N@@H+]2CCC[C@@H]2C1)n1cc([N+](=O)[O-])cn1 ZINC000810839516 701859291 /nfs/dbraw/zinc/85/92/91/701859291.db2.gz BSOLGBGUNNNJDT-YPMHNXCESA-N 1 0 322.365 1.696 20 5 DDBDRO CC[C@@H]1C[N@H+](C)CCN1Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000840092780 701965037 /nfs/dbraw/zinc/96/50/37/701965037.db2.gz XVAMOJCBFBQMRG-LLVKDONJSA-N 1 0 320.349 1.486 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)OCC[C@H]1CCCC[N@H+]1C ZINC000840223449 702034270 /nfs/dbraw/zinc/03/42/70/702034270.db2.gz JAIFDTPQFAWCRJ-GFCCVEGCSA-N 1 0 310.354 1.517 20 5 DDBDRO CC(C)[N@H+](C)Cc1cccc(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC000840333430 702073217 /nfs/dbraw/zinc/07/32/17/702073217.db2.gz BHIKTZWTEMYOQY-HUUCEWRRSA-N 1 0 305.378 1.808 20 5 DDBDRO COC(=O)[C@@H]1CN(c2ccc([N+](=O)[O-])cc2F)CC[N@H+](C)C1 ZINC000840358612 702083066 /nfs/dbraw/zinc/08/30/66/702083066.db2.gz CLUYPZUTCOJTAQ-JTQLQIEISA-N 1 0 311.313 1.275 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CC[N@H+](C)C[C@@H]3C2)c1 ZINC000812337727 702161823 /nfs/dbraw/zinc/16/18/23/702161823.db2.gz HDRUHPKOYFNNLE-NWDGAFQWSA-N 1 0 319.361 1.627 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@@H]2C[N@H+](C)CC[C@@H]2C1 ZINC000812338349 702162639 /nfs/dbraw/zinc/16/26/39/702162639.db2.gz NCEBCSCJBRHCCB-OLZOCXBDSA-N 1 0 303.362 1.927 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)n1 ZINC000866209059 706649164 /nfs/dbraw/zinc/64/91/64/706649164.db2.gz PBMVOPDXBBHGPZ-ZYHUDNBSSA-N 1 0 320.349 1.307 20 5 DDBDRO C[C@@H]([NH3+])[C@@H](C)NC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000841255894 702404635 /nfs/dbraw/zinc/40/46/35/702404635.db2.gz PQLBNQBXQHOXPH-RNFRBKRXSA-N 1 0 314.729 1.039 20 5 DDBDRO CNc1ccc([N+](=O)[O-])cc1NC(=O)/C=C\CN1CCOCC1 ZINC000869066067 702444079 /nfs/dbraw/zinc/44/40/79/702444079.db2.gz FNIZIOACODLSBN-IHWYPQMZSA-N 1 0 320.349 1.463 20 5 DDBDRO [NH3+]C[C@H]1CN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CCCO1 ZINC000818013207 702553657 /nfs/dbraw/zinc/55/36/57/702553657.db2.gz ZWIGRQLYHBBYLL-VIFPVBQESA-N 1 0 313.741 1.438 20 5 DDBDRO [NH3+]C[C@H]1CCN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000841856508 702589871 /nfs/dbraw/zinc/58/98/71/702589871.db2.gz QODKXOCKIKDIOW-SECBINFHSA-N 1 0 312.757 1.738 20 5 DDBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H]1COCCN1C ZINC000866398380 706689329 /nfs/dbraw/zinc/68/93/29/706689329.db2.gz ODOVGCXHSYRORB-BXUZGUMPSA-N 1 0 311.357 1.585 20 5 DDBDRO C[NH2+]C[C@H](C)c1noc(Cc2ccc(OC)c([N+](=O)[O-])c2)n1 ZINC000842584321 702736812 /nfs/dbraw/zinc/73/68/12/702736812.db2.gz TXSHTZQGBAYGJF-VIFPVBQESA-N 1 0 306.322 1.900 20 5 DDBDRO Cc1cc(S(=O)(=O)NCC2([NH3+])CCC2)cc([N+](=O)[O-])c1F ZINC000842759614 702768522 /nfs/dbraw/zinc/76/85/22/702768522.db2.gz VIMVSFXVPFFWMX-UHFFFAOYSA-N 1 0 317.342 1.202 20 5 DDBDRO C[C@H](CCC[NH3+])NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000842878351 702786271 /nfs/dbraw/zinc/78/62/71/702786271.db2.gz MJAGODQSQPFBBH-MRVPVSSYSA-N 1 0 321.786 1.654 20 5 DDBDRO C[C@H]([NH2+]CCCc1ncn(C)n1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000842904631 702789147 /nfs/dbraw/zinc/78/91/47/702789147.db2.gz VJBGKAXQGSCSOX-JTQLQIEISA-N 1 0 304.354 1.589 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@@H](CO)Cc2ccco2)cc1 ZINC000843059146 702810014 /nfs/dbraw/zinc/81/00/14/702810014.db2.gz GASXICPIUKTWAE-LRDDRELGSA-N 1 0 320.345 1.662 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)CNC[C@@H](O)C[NH+]2CCCCC2)c1 ZINC000843062694 702811083 /nfs/dbraw/zinc/81/10/83/702811083.db2.gz RERBHLNKBIXNKW-CVEARBPZSA-N 1 0 323.393 1.065 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@H]2CCCN2CCCO)cc1 ZINC000843086730 702816134 /nfs/dbraw/zinc/81/61/34/702816134.db2.gz HUUDLVPJKIQTBT-CVEARBPZSA-N 1 0 323.393 1.065 20 5 DDBDRO CC[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H](O)C(F)F ZINC000843116340 702822290 /nfs/dbraw/zinc/82/22/90/702822290.db2.gz WNFGJHJOFYIKAW-SRVKXCTJSA-N 1 0 304.293 1.622 20 5 DDBDRO [NH3+]C[C@H]1CCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000843346705 702863633 /nfs/dbraw/zinc/86/36/33/702863633.db2.gz PSIWDZDDNNPXTJ-SECBINFHSA-N 1 0 312.757 1.467 20 5 DDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)CO[C@H]1CCC[NH2+]C1 ZINC000843380785 702870537 /nfs/dbraw/zinc/87/05/37/702870537.db2.gz STEPRTYAJWGFBO-ZDUSSCGKSA-N 1 0 307.350 1.322 20 5 DDBDRO C[C@@H](NC(=O)CO[C@H]1CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000843380909 702870673 /nfs/dbraw/zinc/87/06/73/702870673.db2.gz GZILFYYWLKYMAY-RISCZKNCSA-N 1 0 307.350 1.541 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000843456225 702885834 /nfs/dbraw/zinc/88/58/34/702885834.db2.gz ZPFWLPPCOMWTJS-ZJUUUORDSA-N 1 0 322.321 1.621 20 5 DDBDRO CC[C@@H]([NH3+])CNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000843482859 702890590 /nfs/dbraw/zinc/89/05/90/702890590.db2.gz CQKOHWUHPQBDFS-MRVPVSSYSA-N 1 0 303.721 1.783 20 5 DDBDRO Cc1c(C(=O)N[C@@H](C)C[C@@H](C)[NH3+])cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000843509614 702896981 /nfs/dbraw/zinc/89/69/81/702896981.db2.gz ZNPAGHYWWXVKEW-SFYZADRCSA-N 1 0 324.337 1.975 20 5 DDBDRO Cc1ccc(-c2noc([C@]34C[NH2+]C[C@H]3COC4)n2)cc1[N+](=O)[O-] ZINC000844913222 703084210 /nfs/dbraw/zinc/08/42/10/703084210.db2.gz TZEIRKDOZKSQNG-NHYWBVRUSA-N 1 0 316.317 1.441 20 5 DDBDRO CNc1nccc(C(=O)N2CCC23CC[NH+](C)CC3)c1[N+](=O)[O-] ZINC000848371811 703544318 /nfs/dbraw/zinc/54/43/18/703544318.db2.gz XGLMKUJWSNPSER-UHFFFAOYSA-N 1 0 319.365 1.342 20 5 DDBDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000818564665 703927646 /nfs/dbraw/zinc/92/76/46/703927646.db2.gz KVPAWZPDQUFUJD-CMPLNLGQSA-N 1 0 317.349 1.140 20 5 DDBDRO CCN(CC)C(=O)CCC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818955723 704033882 /nfs/dbraw/zinc/03/38/82/704033882.db2.gz BXMFWQXVQZNRRG-OAHLLOKOSA-N 1 0 323.393 1.866 20 5 DDBDRO CC(=O)NC1CCC([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000818997557 704047501 /nfs/dbraw/zinc/04/75/01/704047501.db2.gz FISFJALITSPRAM-ZBCRRDGASA-N 1 0 321.377 1.665 20 5 DDBDRO CC(C)OC(=O)[C@H](C)C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819116497 704071804 /nfs/dbraw/zinc/07/18/04/704071804.db2.gz SDABQQGFFGJMNM-RISCZKNCSA-N 1 0 310.350 1.806 20 5 DDBDRO CCn1cccc(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1=O ZINC000819272386 704098476 /nfs/dbraw/zinc/09/84/76/704098476.db2.gz UHUXVGDJQCGLSP-OAHLLOKOSA-N 1 0 317.345 1.600 20 5 DDBDRO Cc1cnc(CC[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000819360582 704113238 /nfs/dbraw/zinc/11/32/38/704113238.db2.gz CUDGFGLPCDCZBF-OAHLLOKOSA-N 1 0 302.334 1.559 20 5 DDBDRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)CCc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000820264841 704248736 /nfs/dbraw/zinc/24/87/36/704248736.db2.gz SNGZPRRJUHAGET-WFASDCNBSA-N 1 0 321.352 1.829 20 5 DDBDRO Cc1nn(C[N@@H+]2CCC3(COC3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000853598238 704281588 /nfs/dbraw/zinc/28/15/88/704281588.db2.gz OYMJOLHJUVDCFC-UHFFFAOYSA-N 1 0 302.334 1.933 20 5 DDBDRO CCC[N@H+](C)CC(C)(C)NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000856281495 704521361 /nfs/dbraw/zinc/52/13/61/704521361.db2.gz DUBHUKORXSFAHV-AWEZNQCLSA-N 1 0 323.393 1.865 20 5 DDBDRO C[NH+](C)C1CC(NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C1 ZINC000857228282 704566468 /nfs/dbraw/zinc/56/64/68/704566468.db2.gz IWPUBTBPYDUVBX-UHFFFAOYSA-N 1 0 313.304 1.895 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2C[C@@H]3CCC[C@]3(CO)C2)c1 ZINC000859924851 705042923 /nfs/dbraw/zinc/04/29/23/705042923.db2.gz PRPXLECBBGWSOE-NUEKZKHPSA-N 1 0 306.362 1.723 20 5 DDBDRO CCCc1n[nH]c(C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3C)c1[N+](=O)[O-] ZINC000874836392 705193966 /nfs/dbraw/zinc/19/39/66/705193966.db2.gz CCQQCIVJAKQEKN-VXGBXAGGSA-N 1 0 321.381 1.579 20 5 DDBDRO Nc1ccc(NC(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000824003222 705353105 /nfs/dbraw/zinc/35/31/05/705353105.db2.gz SYPNBSUMTQFFHB-QWHCGFSZSA-N 1 0 319.365 1.925 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000824369052 705437545 /nfs/dbraw/zinc/43/75/45/705437545.db2.gz VANYXIZMURAWIG-CHWSQXEVSA-N 1 0 321.381 1.233 20 5 DDBDRO O=C(c1cc(F)ccc1[N+](=O)[O-])N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000861708572 705545294 /nfs/dbraw/zinc/54/52/94/705545294.db2.gz AZGKGERYDGYHCS-NWDGAFQWSA-N 1 0 323.324 1.015 20 5 DDBDRO CC[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C(=O)NC ZINC000825315467 705644280 /nfs/dbraw/zinc/64/42/80/705644280.db2.gz BIBJNQWJRJTUDJ-OAHLLOKOSA-N 1 0 320.393 1.678 20 5 DDBDRO O=C(NCC[N@H+]1CC[C@@H](O)C1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000863320121 705900223 /nfs/dbraw/zinc/90/02/23/705900223.db2.gz JMLCEEONKNTJDG-SNVBAGLBSA-N 1 0 313.741 1.045 20 5 DDBDRO Cn1ncc2c1CCC[C@H]2[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000876929570 705928249 /nfs/dbraw/zinc/92/82/49/705928249.db2.gz KKHDKROVCXDVAD-QIMFLAQGSA-N 1 0 316.365 1.896 20 5 DDBDRO C[C@@H]1C[C@H]([NH2+][C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)CS1 ZINC000877035784 705967380 /nfs/dbraw/zinc/96/73/80/705967380.db2.gz AHVAYUFIEBNYJL-QEGRKFQGSA-N 1 0 312.391 1.473 20 5 DDBDRO C[N@@H+]1CC[C@H]2CN(C(=O)CNc3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000827338667 705979456 /nfs/dbraw/zinc/97/94/56/705979456.db2.gz PZSGNMIGLFJPAO-JSGCOSHPSA-N 1 0 318.377 1.559 20 5 DDBDRO C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000877241474 706030493 /nfs/dbraw/zinc/03/04/93/706030493.db2.gz RHGYCVVXSFJHSN-JHZNUDOXSA-N 1 0 303.362 1.931 20 5 DDBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877285648 706049082 /nfs/dbraw/zinc/04/90/82/706049082.db2.gz WIMAONBKYJXQBK-OLZOCXBDSA-N 1 0 319.361 1.717 20 5 DDBDRO CCOc1ccc(C(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)cc1[N+](=O)[O-] ZINC000877288645 706049886 /nfs/dbraw/zinc/04/98/86/706049886.db2.gz OZWDSAQKGWJLIU-OLZOCXBDSA-N 1 0 319.361 1.960 20 5 DDBDRO Cn1cc(C[N@@H+]2CCC[C@H](C3(C)OCCO3)C2)c([N+](=O)[O-])n1 ZINC000877316031 706061195 /nfs/dbraw/zinc/06/11/95/706061195.db2.gz HBEABNBFTSWBIB-LBPRGKRZSA-N 1 0 310.354 1.303 20 5 DDBDRO [NH3+]C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C(F)(F)F ZINC000877371164 706083754 /nfs/dbraw/zinc/08/37/54/706083754.db2.gz MKILEYQDEWJFBC-MWLCHTKSSA-N 1 0 317.267 1.804 20 5 DDBDRO [NH3+]C[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)C[C@H]1C(F)(F)F ZINC000877371637 706083978 /nfs/dbraw/zinc/08/39/78/706083978.db2.gz UKGKKUXWDFVBTI-GXSJLCMTSA-N 1 0 317.267 1.804 20 5 DDBDRO CC(C)(O)CN1CC[C@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000872218980 707334282 /nfs/dbraw/zinc/33/42/82/707334282.db2.gz UISLHFGTCISWFC-ZFWWWQNUSA-N 1 0 323.393 1.063 20 5 DDBDRO COCC[N@@H+]1CC[C@@H](Nc2cc(F)c([N+](=O)[O-])cc2CO)C1 ZINC000865526844 706454862 /nfs/dbraw/zinc/45/48/62/706454862.db2.gz XBCURQBUPLKVAR-LLVKDONJSA-N 1 0 313.329 1.359 20 5 DDBDRO Cc1ccc(OS(=O)(=O)CCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000867011391 706871701 /nfs/dbraw/zinc/87/17/01/706871701.db2.gz OTRGLFCNSKOBJQ-UHFFFAOYSA-N 1 0 302.352 1.564 20 5 DDBDRO CC(C)(CCC(=O)N1CCCN(c2cc[nH+]cc2)CC1)[N+](=O)[O-] ZINC000880379365 706957145 /nfs/dbraw/zinc/95/71/45/706957145.db2.gz AAPWICOUVRUESI-UHFFFAOYSA-N 1 0 320.393 1.956 20 5 DDBDRO O=C(CC[N@H+]1C[C@@H]2C[C@]2(O)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000880419753 706968321 /nfs/dbraw/zinc/96/83/21/706968321.db2.gz PPJAXSIWPNHPSJ-XPTSAGLGSA-N 1 0 309.297 1.129 20 5 DDBDRO COC(=O)[C@]1(O)CC[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000880564954 707019952 /nfs/dbraw/zinc/01/99/52/707019952.db2.gz ALSKIPFRDOPQGH-NHYWBVRUSA-N 1 0 308.334 1.574 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)NCC(C)(C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000834763154 707111613 /nfs/dbraw/zinc/11/16/13/707111613.db2.gz TYQLCWLHYMSQEP-UHFFFAOYSA-N 1 0 324.337 1.881 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)OCC2C[C@H]3CC[C@@H](C2)[N@H+]3C)n1 ZINC000835603225 707290904 /nfs/dbraw/zinc/29/09/04/707290904.db2.gz PPGRAOSOYIYUBF-YOGCLGLASA-N 1 0 322.365 1.841 20 5 DDBDRO Cn1ccnc1[C@H](NC[C@H]1C[C@H]([NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC000873256456 707786604 /nfs/dbraw/zinc/78/66/04/707786604.db2.gz MUGHOABSVOTZIO-UXIGCNINSA-N 1 0 315.377 1.745 20 5 DDBDRO CCO[C@H](CNCc1nc2cc([N+](=O)[O-])ccc2o1)C[NH+](C)C ZINC000896879817 708171281 /nfs/dbraw/zinc/17/12/81/708171281.db2.gz HZKFEMUHJAJBGX-GFCCVEGCSA-N 1 0 322.365 1.792 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000897222769 708260559 /nfs/dbraw/zinc/26/05/59/708260559.db2.gz XMKVGCYVANMTET-KBPBESRZSA-N 1 0 305.378 1.939 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CC[C@H](O)C3CC3)CC2)cn1 ZINC000898199316 708571172 /nfs/dbraw/zinc/57/11/72/708571172.db2.gz LDLNQMYAZWBHSO-HNNXBMFYSA-N 1 0 320.393 1.709 20 5 DDBDRO CN(CC[N@H+](C)CCO)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000912606089 713045770 /nfs/dbraw/zinc/04/57/70/713045770.db2.gz KACSDRQYLZJXBE-UHFFFAOYSA-N 1 0 323.393 1.255 20 5 DDBDRO CN(CC[N@H+](C)CCO)C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000912608105 713047354 /nfs/dbraw/zinc/04/73/54/713047354.db2.gz QVZRMAATGMSDRJ-UHFFFAOYSA-N 1 0 315.757 1.244 20 5 DDBDRO C[C@@](O)(C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)C(F)F ZINC000886067227 708691342 /nfs/dbraw/zinc/69/13/42/708691342.db2.gz IPYOMZYTXVUBMZ-TVQRCGJNSA-N 1 0 316.308 1.492 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+]CC1(C2(O)CCC2)CCC1 ZINC000886982163 708912595 /nfs/dbraw/zinc/91/25/95/708912595.db2.gz HJYNYNNEEJNBIX-UHFFFAOYSA-N 1 0 308.382 1.775 20 5 DDBDRO O=[N+]([O-])CC[NH2+]C[C@H](O)COc1cccc(Cl)c1Cl ZINC000899876364 709224652 /nfs/dbraw/zinc/22/46/52/709224652.db2.gz RNYLAWMNRQLIAI-QMMMGPOBSA-N 1 0 309.149 1.599 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[C@]1(O)CCC[N@@H+](C)C1 ZINC000899911699 709234954 /nfs/dbraw/zinc/23/49/54/709234954.db2.gz VQEDLCSRTNIKNQ-OAHLLOKOSA-N 1 0 307.350 1.689 20 5 DDBDRO Cc1ccc(NC(=O)C[C@@]2(O)CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000899911121 709235102 /nfs/dbraw/zinc/23/51/02/709235102.db2.gz OAXNEZWABKTOKH-HNNXBMFYSA-N 1 0 307.350 1.689 20 5 DDBDRO C[C@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)c1c([N+](=O)[O-])cnn1C ZINC000912808939 713098149 /nfs/dbraw/zinc/09/81/49/713098149.db2.gz BXOVKSVFTOCWPS-VXGBXAGGSA-N 1 0 323.397 1.521 20 5 DDBDRO CC(C)(CCC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12)[N+](=O)[O-] ZINC000928084743 713122362 /nfs/dbraw/zinc/12/23/62/713122362.db2.gz XPRKLSFGLPZEPD-VXGBXAGGSA-N 1 0 315.439 1.518 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)OCC[C@H]1CCCC[N@H+]1C ZINC000910203563 709812665 /nfs/dbraw/zinc/81/26/65/709812665.db2.gz BGHHVUMTZIVGOT-GFCCVEGCSA-N 1 0 310.354 1.517 20 5 DDBDRO CC[N@@H+]1CCCN(C(=O)c2c([N+](=O)[O-])c(C)nn2C)[C@H](C)C1 ZINC000910286379 709867000 /nfs/dbraw/zinc/86/70/00/709867000.db2.gz AANMWWMHJDDIEK-SNVBAGLBSA-N 1 0 309.370 1.193 20 5 DDBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000891409579 710190213 /nfs/dbraw/zinc/19/02/13/710190213.db2.gz HVLAODLDPVTUCV-ZBFHGGJFSA-N 1 0 318.377 1.721 20 5 DDBDRO COc1c(O)ccc(C[NH+]2CCC(CCO)CC2)c1[N+](=O)[O-] ZINC000891570687 710238352 /nfs/dbraw/zinc/23/83/52/710238352.db2.gz CUKVLOZFSHLSQA-UHFFFAOYSA-N 1 0 310.350 1.903 20 5 DDBDRO COc1c(O)ccc(CNC[C@H]2CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000892946994 710530296 /nfs/dbraw/zinc/53/02/96/710530296.db2.gz WAVMPJARLWECHD-LLVKDONJSA-N 1 0 309.366 1.740 20 5 DDBDRO COc1cc([N+](=O)[O-])cnc1N1C[C@@H](SC)[C@H]([NH+](C)C)C1 ZINC000893002890 710539652 /nfs/dbraw/zinc/53/96/52/710539652.db2.gz WLCUSIFNSSYSKK-ZYHUDNBSSA-N 1 0 312.395 1.480 20 5 DDBDRO C[C@H]1[C@@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC[N@@H+]1C ZINC000928446196 713199933 /nfs/dbraw/zinc/19/99/33/713199933.db2.gz VCVPHJQOJPNRSR-ZANVPECISA-N 1 0 302.334 1.899 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC(C)([NH+](C)C)CC1 ZINC000913397954 713207948 /nfs/dbraw/zinc/20/79/48/713207948.db2.gz IXJMMXRYIHRRQI-UHFFFAOYSA-N 1 0 309.370 1.042 20 5 DDBDRO C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000911826919 711018110 /nfs/dbraw/zinc/01/81/10/711018110.db2.gz USWBERFPHHKJGT-KAOXEZKKSA-N 1 0 303.362 1.894 20 5 DDBDRO C[NH2+]C[C@@H]1CCCN1C(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC000911868808 711041554 /nfs/dbraw/zinc/04/15/54/711041554.db2.gz RQOUXBGRHBMXHL-ZDUSSCGKSA-N 1 0 309.341 1.877 20 5 DDBDRO COc1cc([C@@H](C)[NH2+]C[C@]2(C)CCC(=O)N2)cc([N+](=O)[O-])c1 ZINC000903183439 711057476 /nfs/dbraw/zinc/05/74/76/711057476.db2.gz ONIQFVCFKANMNF-BMIGLBTASA-N 1 0 307.350 1.923 20 5 DDBDRO Cc1c([C@H](C)[NH2+]C[C@]2(CO)COCCN2C)cccc1[N+](=O)[O-] ZINC000903281680 711087307 /nfs/dbraw/zinc/08/73/07/711087307.db2.gz QNELQHXXAUFZJM-BBRMVZONSA-N 1 0 323.393 1.247 20 5 DDBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CCN(C)[C@@H]1C ZINC000903302850 711094625 /nfs/dbraw/zinc/09/46/25/711094625.db2.gz GIECIXFYBSUOHV-JMSVASOKSA-N 1 0 320.393 1.994 20 5 DDBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1COC[C@H]1C ZINC000903400089 711114470 /nfs/dbraw/zinc/11/44/70/711114470.db2.gz MIDYNSQXEWVTBM-GYSYKLTISA-N 1 0 307.350 1.936 20 5 DDBDRO [NH3+][C@@H]1CN(CCn2ccc([N+](=O)[O-])n2)CC[C@@H]1C(F)(F)F ZINC000903540636 711179546 /nfs/dbraw/zinc/17/95/46/711179546.db2.gz XUVCHDMPOACHLC-DTWKUNHWSA-N 1 0 307.276 1.003 20 5 DDBDRO COC(=O)[C@H](C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)CC(C)C ZINC000894790901 711272958 /nfs/dbraw/zinc/27/29/58/711272958.db2.gz NPQRILDSUSEOBU-HIFPTAJRSA-N 1 0 324.381 1.920 20 5 DDBDRO C[NH+](C)CC1(O)CCN(c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000894955389 711337430 /nfs/dbraw/zinc/33/74/30/711337430.db2.gz PWNRZQZTQYVSQK-UHFFFAOYSA-N 1 0 314.773 1.536 20 5 DDBDRO C[NH+](C)C[C@@]1(O)CCN(c2c3ccccc3ncc2[N+](=O)[O-])C1 ZINC000895011088 711366598 /nfs/dbraw/zinc/36/65/98/711366598.db2.gz ZKNNZOJBFLPJGQ-INIZCTEOSA-N 1 0 316.361 1.646 20 5 DDBDRO C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000913537855 713249087 /nfs/dbraw/zinc/24/90/87/713249087.db2.gz SRDMSEURFUVDLV-TXEJJXNPSA-N 1 0 304.350 1.312 20 5 DDBDRO CC[N@H+]1[C@H](C)CN(c2nccc(C(=O)OC)c2[N+](=O)[O-])C[C@@H]1C ZINC000895101576 711411903 /nfs/dbraw/zinc/41/19/03/711411903.db2.gz HUUITOCQKVHLOZ-PHIMTYICSA-N 1 0 322.365 1.695 20 5 DDBDRO CCn1nc(C)c([N+](=O)[O-])c1N[C@@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC000895246340 711463835 /nfs/dbraw/zinc/46/38/35/711463835.db2.gz NBFHJVGEASGMPJ-JQWIXIFHSA-N 1 0 310.402 1.166 20 5 DDBDRO CCc1nn(C)c(NC[C@@H]2CC[N@@H+]2C2CCOCC2)c1[N+](=O)[O-] ZINC000896521584 711737663 /nfs/dbraw/zinc/73/76/63/711737663.db2.gz JZBBSBZQMRCDST-LBPRGKRZSA-N 1 0 323.397 1.556 20 5 DDBDRO Cc1cc(C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCN2C)cc([N+](=O)[O-])c1 ZINC000896568493 711754721 /nfs/dbraw/zinc/75/47/21/711754721.db2.gz NLSJDHOVGYFGJI-SWLSCSKDSA-N 1 0 320.393 1.267 20 5 DDBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC12CC[NH+](CC1)C2 ZINC000913633092 713273175 /nfs/dbraw/zinc/27/31/75/713273175.db2.gz LLIRSDZRYYXNBP-ZRDIBKRKSA-N 1 0 301.346 1.963 20 5 DDBDRO O=[N+]([O-])CC[NH2+]CCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000905274703 711988937 /nfs/dbraw/zinc/98/89/37/711988937.db2.gz PTTZAXNFCVFQSW-UHFFFAOYSA-N 1 0 306.771 1.370 20 5 DDBDRO CC(C)(C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CC(F)F ZINC000905422928 712034061 /nfs/dbraw/zinc/03/40/61/712034061.db2.gz LKABRVPNDFBQFH-SNVBAGLBSA-N 1 0 306.313 1.423 20 5 DDBDRO CC(C)(C)OC(=O)C1CC2(C1)CC[C@H](C[NH2+]CC[N+](=O)[O-])O2 ZINC000905589761 712087758 /nfs/dbraw/zinc/08/77/58/712087758.db2.gz ATXNZEBCQPGBNV-MQYJIDSJSA-N 1 0 314.382 1.522 20 5 DDBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CCN(C)C1 ZINC000906525845 712346995 /nfs/dbraw/zinc/34/69/95/712346995.db2.gz QBSISWZDSPWNJB-YPMHNXCESA-N 1 0 306.366 1.606 20 5 DDBDRO COc1ccc(CNC(=O)N[C@H]2CC[N@H+](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000914300032 713372978 /nfs/dbraw/zinc/37/29/78/713372978.db2.gz HTEHOWVAIWSVAU-JQWIXIFHSA-N 1 0 322.365 1.495 20 5 DDBDRO C[C@@H]([NH2+]C(C)(C)CO)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000916572821 713458610 /nfs/dbraw/zinc/45/86/10/713458610.db2.gz PHRNHZFNRISLBW-MRVPVSSYSA-N 1 0 315.757 1.936 20 5 DDBDRO O=[N+]([O-])c1ccc(OCC[NH2+]Cc2cnc3n2CCOC3)cc1 ZINC000921722371 713854034 /nfs/dbraw/zinc/85/40/34/713854034.db2.gz UHJOBIAUYRZBDQ-UHFFFAOYSA-N 1 0 318.333 1.490 20 5 DDBDRO C[N@H+]1C[C@H]2CC[C@@H](C1)N2CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000931389993 714081931 /nfs/dbraw/zinc/08/19/31/714081931.db2.gz NVUJFWVQUYBZAL-BETUJISGSA-N 1 0 318.377 1.702 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CN1CCC(O)(C[NH+](C)C)CC1 ZINC000931479817 714107481 /nfs/dbraw/zinc/10/74/81/714107481.db2.gz CLHVVVVZONBDLW-UHFFFAOYSA-N 1 0 323.393 1.492 20 5 DDBDRO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CC[C@@H](C4OCCO4)C3)nc2c1 ZINC000932005440 714231737 /nfs/dbraw/zinc/23/17/37/714231737.db2.gz RMOASYLIGZYUAN-SNVBAGLBSA-N 1 0 319.317 1.931 20 5 DDBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC[C@@H](C2OCCO2)C1 ZINC000932007805 714232822 /nfs/dbraw/zinc/23/28/22/714232822.db2.gz KDPLKWUHWJBEPQ-GFCCVEGCSA-N 1 0 308.334 1.668 20 5 DDBDRO CNc1nccc(C(=O)N2[C@@H]3CC[C@H]2C[N@H+](C)CC3)c1[N+](=O)[O-] ZINC000923266758 714290172 /nfs/dbraw/zinc/29/01/72/714290172.db2.gz RFOQVQVKQKBYQC-MNOVXSKESA-N 1 0 319.365 1.340 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000923275735 714293928 /nfs/dbraw/zinc/29/39/28/714293928.db2.gz UUKXBHMRMHRWMT-WDEREUQCSA-N 1 0 304.350 1.486 20 5 DDBDRO C[C@H]1COC[C@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000932493436 714345818 /nfs/dbraw/zinc/34/58/18/714345818.db2.gz FZWHDYDZVYWQMY-QPUJVOFHSA-N 1 0 313.741 1.811 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)CN2CCC[C@H]3C[NH2+]CC[C@H]32)c1 ZINC000923413770 714348150 /nfs/dbraw/zinc/34/81/50/714348150.db2.gz GZUSNTRYHHAZFG-NUEKZKHPSA-N 1 0 305.378 1.702 20 5 DDBDRO CCOC(=O)[C@@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000932646327 714374133 /nfs/dbraw/zinc/37/41/33/714374133.db2.gz HWUZABZSHROYFM-GFCCVEGCSA-N 1 0 308.334 1.859 20 5 DDBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Cn2c(C)ncc2[N+](=O)[O-])C[C@@H]1C ZINC000933372684 714574592 /nfs/dbraw/zinc/57/45/92/714574592.db2.gz UPNUBXYBWPCHSM-WCQYABFASA-N 1 0 323.397 1.431 20 5 DDBDRO C[N@@H+](Cc1cccc(=O)[nH]1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000933399079 714582105 /nfs/dbraw/zinc/58/21/05/714582105.db2.gz PMQMRNRXQQLHCO-CQSZACIVSA-N 1 0 303.318 1.861 20 5 DDBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1C(=O)N[C@H](C[NH+](C)C)C1=O ZINC000924528850 714604609 /nfs/dbraw/zinc/60/46/09/714604609.db2.gz JXSAHGVFMDWRHL-GXSJLCMTSA-N 1 0 306.322 1.138 20 5 DDBDRO CN1CCN(CCOc2cccc([N+](=O)[O-])c2)CC[N@H+](C)CC1 ZINC000933998555 714719239 /nfs/dbraw/zinc/71/92/39/714719239.db2.gz JRZGMIQMEOIZRM-UHFFFAOYSA-N 1 0 322.409 1.153 20 5 DDBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)NC3CC3)c2)CC1 ZINC000934046907 714731622 /nfs/dbraw/zinc/73/16/22/714731622.db2.gz DLTYOYUCBNHTBB-UHFFFAOYSA-N 1 0 319.365 1.631 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@H](Cc3nccs3)C2)n1 ZINC000934335270 714797734 /nfs/dbraw/zinc/79/77/34/714797734.db2.gz ZRWIMXSLZADQFF-LLVKDONJSA-N 1 0 307.379 1.812 20 5 DDBDRO O=[N+]([O-])c1cc2ccccc2nc1N1CCN2CC[NH2+]C[C@@H]2C1 ZINC001164399569 718836656 /nfs/dbraw/zinc/83/66/56/718836656.db2.gz ZXIDDCZUEBHQEY-CYBMUJFWSA-N 1 0 313.361 1.237 20 5 DDBDRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1cc([N+](=O)[O-])ccn1 ZINC001164923254 721849239 /nfs/dbraw/zinc/84/92/39/721849239.db2.gz UNHOKRDCMBXEFW-ZIAGYGMSSA-N 1 0 305.382 1.204 20 5 DDBDRO COc1nc(N2CC[NH+](C3CCCC3)CC2)ncc1[N+](=O)[O-] ZINC001165029335 721852257 /nfs/dbraw/zinc/85/22/57/721852257.db2.gz KORSFLBZFGDWDI-UHFFFAOYSA-N 1 0 307.354 1.458 20 5 DDBDRO O=C(Cc1cccnc1)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001125705309 735384639 /nfs/dbraw/zinc/38/46/39/735384639.db2.gz ALCNCDQQTTYKEI-UHFFFAOYSA-N 1 0 314.345 1.438 20 5 DDBDRO C[NH2+]Cc1c(C)nn(-c2ncc(C(=O)OC)cc2[N+](=O)[O-])c1C ZINC001167098148 732599602 /nfs/dbraw/zinc/59/96/02/732599602.db2.gz FJUSRANPPVQIBV-UHFFFAOYSA-N 1 0 319.321 1.298 20 5 DDBDRO CCN(CCNC(=O)C[N@H+](C)C(C)C)c1ccccc1[N+](=O)[O-] ZINC001100546830 734502381 /nfs/dbraw/zinc/50/23/81/734502381.db2.gz TXHZGEVJKPRDAT-UHFFFAOYSA-N 1 0 322.409 1.878 20 5 DDBDRO COC(=O)[C@@H](CCC[NH3+])Nc1cc([N+](=O)[O-])c(C)cc1OC ZINC001167899306 739208843 /nfs/dbraw/zinc/20/88/43/739208843.db2.gz JSGLXZBEWZGHKM-SNVBAGLBSA-N 1 0 311.338 1.604 20 5 DDBDRO CN(CCCN(C)c1ccc([N+](=O)[O-])cn1)C(=O)CC[NH+](C)C ZINC001112165420 740653310 /nfs/dbraw/zinc/65/33/10/740653310.db2.gz YVFDXBCLLNOGHH-UHFFFAOYSA-N 1 0 323.397 1.226 20 5 DDBDRO Cc1cccnc1C[NH2+][C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001183698213 743887914 /nfs/dbraw/zinc/88/79/14/743887914.db2.gz WDDLXPXZRNEKEI-HZPDHXFCSA-N 1 0 317.345 1.482 20 5 DDBDRO C[NH+](C)[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)C12CCC2 ZINC001187034857 744496185 /nfs/dbraw/zinc/49/61/85/744496185.db2.gz ORXLVERQVFKGFX-KGLIPLIRSA-N 1 0 318.377 1.978 20 5 DDBDRO CCC/C=C/CC[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001195762113 746689220 /nfs/dbraw/zinc/68/92/20/746689220.db2.gz WXKPLWGZYYENFC-DPOFCPOHSA-N 1 0 309.410 1.932 20 5 DDBDRO COc1nc(C)nc(-n2cnc3ccc(C[NH3+])cc32)c1[N+](=O)[O-] ZINC001168841032 762065633 /nfs/dbraw/zinc/06/56/33/762065633.db2.gz NPPQXDZWZQCVKR-UHFFFAOYSA-N 1 0 314.305 1.499 20 5 DDBDRO O=C(c1ccco1)N1CCC([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168977308 762147155 /nfs/dbraw/zinc/14/71/55/762147155.db2.gz JHMTYSFTIGIMDU-OCCSQVGLSA-N 1 0 321.377 1.919 20 5 DDBDRO O=C(NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cccnn1 ZINC001168983102 762150637 /nfs/dbraw/zinc/15/06/37/762150637.db2.gz YYHZDLXHXHWTAY-UHFFFAOYSA-N 1 0 315.333 1.295 20 5 DDBDRO CS(=O)(=O)c1cccc(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001168965565 762157676 /nfs/dbraw/zinc/15/76/76/762157676.db2.gz ARDTWVWPNLZQDM-QWHCGFSZSA-N 1 0 312.391 1.625 20 5 DDBDRO COc1ccc(OC[C@H](O)C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)cc1 ZINC001168968157 762158518 /nfs/dbraw/zinc/15/85/18/762158518.db2.gz WXDJQQDHYLOUGK-BFHYXJOUSA-N 1 0 324.377 1.470 20 5 DDBDRO NC1(c2cccnc2)CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168992057 762165785 /nfs/dbraw/zinc/16/57/85/762165785.db2.gz JFHAJNCAOBBSHF-DZGCQCFKSA-N 1 0 304.394 1.777 20 5 DDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2ccn(CC(F)(F)F)n2)C1 ZINC001168997518 762169896 /nfs/dbraw/zinc/16/98/96/762169896.db2.gz CVQWEQHSABONMZ-UWVGGRQHSA-N 1 0 306.288 1.980 20 5 DDBDRO Cc1cc(N2CCC([NH2+][C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)ncn1 ZINC001168999425 762171694 /nfs/dbraw/zinc/17/16/94/762171694.db2.gz SXUOIAJZQJCMCQ-UKRRQHHQSA-N 1 0 319.409 1.789 20 5 DDBDRO O=C(N1CCC([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1)C(F)(F)F ZINC001169001634 762172979 /nfs/dbraw/zinc/17/29/79/762172979.db2.gz HDCOZBYNJBMLSJ-GXSJLCMTSA-N 1 0 323.315 1.575 20 5 DDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CC2CCN(c3ncccn3)CC2)C1 ZINC001168990929 762182277 /nfs/dbraw/zinc/18/22/77/762182277.db2.gz FQJFBFUCCKRRCP-GJZGRUSLSA-N 1 0 319.409 1.728 20 5 DDBDRO O=C(c1ccco1)N1CCC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169037076 762192714 /nfs/dbraw/zinc/19/27/14/762192714.db2.gz IOZMOAPQUFWNIL-ZIAGYGMSSA-N 1 0 321.377 1.873 20 5 DDBDRO O=C1OCCCN1C1CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169048437 762205921 /nfs/dbraw/zinc/20/59/21/762205921.db2.gz VEKNHGVWGJSOMS-OCCSQVGLSA-N 1 0 311.382 1.739 20 5 DDBDRO COc1cc(N2CC[NH+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)ccn1 ZINC001169052520 762207905 /nfs/dbraw/zinc/20/79/05/762207905.db2.gz GWERHMZDROXNGH-ZIAGYGMSSA-N 1 0 320.393 1.658 20 5 DDBDRO [NH3+]Cc1cccc2c1cnn2-c1cc([N+](=O)[O-])c2nncn2c1 ZINC001169193507 762276044 /nfs/dbraw/zinc/27/60/44/762276044.db2.gz YXQMDGKBPKMCNQ-UHFFFAOYSA-N 1 0 309.289 1.435 20 5 DDBDRO [NH3+]Cc1cnnn1-c1ccc(OC(F)(F)F)c([N+](=O)[O-])c1 ZINC001169310265 762358413 /nfs/dbraw/zinc/35/84/13/762358413.db2.gz SMUFQVMGUYCORT-UHFFFAOYSA-N 1 0 303.200 1.533 20 5 DDBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N2C[C@@H]3C[C@]3([NH3+])C2)n1 ZINC001165315777 756942608 /nfs/dbraw/zinc/94/26/08/756942608.db2.gz XPWWUAOOKYPQQW-RRAGMBSWSA-N 1 0 301.759 1.298 20 5 DDBDRO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])s1)[C@H]1C[N@H+](C)CCN1C ZINC000829053679 759871778 /nfs/dbraw/zinc/87/17/78/759871778.db2.gz IYNZNMKFPPTZES-NXEZZACHSA-N 1 0 312.395 1.020 20 5 DDBDRO CCOC(=O)c1c(C[NH3+])ncn1-c1ncc(C)cc1[N+](=O)[O-] ZINC001155076482 760527988 /nfs/dbraw/zinc/52/79/88/760527988.db2.gz HGQLBBRBZNKNFZ-UHFFFAOYSA-N 1 0 305.294 1.119 20 5 DDBDRO Cc1nc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)sc1C ZINC001020139035 760612632 /nfs/dbraw/zinc/61/26/32/760612632.db2.gz NSSRMXONFGWAEN-DDHJBXDOSA-N 1 0 324.406 1.162 20 5 DDBDRO O=C(NC[C@H]1C[C@H]([NH2+]Cc2ccccc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001086363117 761493185 /nfs/dbraw/zinc/49/31/85/761493185.db2.gz CLPOAHRNWIBLGH-KBUPBQIOSA-N 1 0 303.362 1.336 20 5 DDBDRO CC[NH+](CC)CC(=O)N(C)CCCNc1ccc([N+](=O)[O-])cn1 ZINC001109452646 763722519 /nfs/dbraw/zinc/72/25/19/763722519.db2.gz ZIVSWIXRDDKLNF-UHFFFAOYSA-N 1 0 323.397 1.592 20 5 DDBDRO COC(=O)c1cc(N[C@H](C)[C@H]2C[NH2+]CCO2)cc([N+](=O)[O-])c1 ZINC001170568801 768181260 /nfs/dbraw/zinc/18/12/60/768181260.db2.gz HMUPSJRCDAZYLG-NOZJJQNGSA-N 1 0 309.322 1.170 20 5 DDBDRO C[C@@H](Nc1ccc2nsnc2c1[N+](=O)[O-])[C@H]1C[NH2+]CCO1 ZINC001170569545 768183197 /nfs/dbraw/zinc/18/31/97/768183197.db2.gz JOBMPRSXGLZGKS-GMSGAONNSA-N 1 0 309.351 1.388 20 5 DDBDRO C[C@@H](Nc1cc2c(c([N+](=O)[O-])c1)NN(C)C2)[C@@H]1C[NH2+]CCO1 ZINC001170576445 768253581 /nfs/dbraw/zinc/25/35/81/768253581.db2.gz VFRXBHGFRWQNBP-RNCFNFMXSA-N 1 0 307.354 1.156 20 5 DDBDRO COc1ccc(C[C@@H](C)[NH2+]C2CC(CO)(CO)C2)c([N+](=O)[O-])c1 ZINC001170308648 766259422 /nfs/dbraw/zinc/25/94/22/766259422.db2.gz NLDBHUOSQYRQSX-LLVKDONJSA-N 1 0 324.377 1.257 20 5 DDBDRO C[NH+](C)CCC(=O)N[C@H]1C[C@H](Nc2cccc(F)c2[N+](=O)[O-])C1 ZINC001097096098 771621909 /nfs/dbraw/zinc/62/19/09/771621909.db2.gz HHMCFZSBOUMYCO-XYPYZODXSA-N 1 0 324.356 1.745 20 5 DDBDRO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1cccc(OC)c1[N+](=O)[O-] ZINC001170872606 771795688 /nfs/dbraw/zinc/79/56/88/771795688.db2.gz SDNOAWPFFWQTIL-MWLCHTKSSA-N 1 0 309.322 1.166 20 5 DDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CC[N@H+](CCCCCF)C2 ZINC001147505957 773155171 /nfs/dbraw/zinc/15/51/71/773155171.db2.gz BNUDUOPTYNTCLH-CHWSQXEVSA-N 1 0 313.373 1.326 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(N2c3ccccc3OC[C@@H]2C[NH3+])n1 ZINC001171389642 774334494 /nfs/dbraw/zinc/33/44/94/774334494.db2.gz OEFVAVYRSBPKDK-JTQLQIEISA-N 1 0 316.317 1.856 20 5 DDBDRO CC1CC[NH+](CC(=O)NCCNc2ccc([N+](=O)[O-])cn2)CC1 ZINC001093823773 775107971 /nfs/dbraw/zinc/10/79/71/775107971.db2.gz PPUWTTYDVHRRJD-UHFFFAOYSA-N 1 0 321.381 1.250 20 5 DDBDRO CCC[N@H+](C)CCC(=O)NCCCNc1ncccc1[N+](=O)[O-] ZINC001094515380 775971884 /nfs/dbraw/zinc/97/18/84/775971884.db2.gz SLGJQUZJSGFOAL-UHFFFAOYSA-N 1 0 323.397 1.640 20 5 DDBDRO O=C1NCCC[C@H]1[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172900297 776914721 /nfs/dbraw/zinc/91/47/21/776914721.db2.gz SBOGYEFFKLFWFD-UKRRQHHQSA-N 1 0 303.362 1.710 20 5 DDBDRO CCNC(=O)C[N@H+](C)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172907068 776917802 /nfs/dbraw/zinc/91/78/02/776917802.db2.gz CMEVWUXUCATIQF-CQSZACIVSA-N 1 0 305.378 1.910 20 5 DDBDRO CC[C@@]([NH3+])(CO)N[C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173192859 777037354 /nfs/dbraw/zinc/03/73/54/777037354.db2.gz RPKAUCNWWRPPOZ-OTYXRUKQSA-N 1 0 315.345 1.320 20 5 DDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1CCN(CCO)CC1 ZINC001173235760 777065260 /nfs/dbraw/zinc/06/52/60/777065260.db2.gz UVBFHNMNBGMZPB-ZDUSSCGKSA-N 1 0 307.394 1.572 20 5 DDBDRO CC[N@H+](C)C(C)(C)C(=O)N(C)CCNc1ccc([N+](=O)[O-])cn1 ZINC001101829026 777574484 /nfs/dbraw/zinc/57/44/84/777574484.db2.gz BGLLZTFOMXKLKQ-UHFFFAOYSA-N 1 0 323.397 1.590 20 5 DDBDRO C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001178203011 778942159 /nfs/dbraw/zinc/94/21/59/778942159.db2.gz MBNXIUQXRJULPE-SNVBAGLBSA-N 1 0 316.321 1.064 20 5 DDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@H]3CCO[C@@]4(CCOC4)C3)C2)c1 ZINC001119300893 781398213 /nfs/dbraw/zinc/39/82/13/781398213.db2.gz JXPNFYWEBLQKPO-CLTVBZQCSA-N 1 0 322.365 1.423 20 5 DDBDRO CC[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1ccc(C)nc1C ZINC001267240863 837587341 /nfs/dbraw/zinc/58/73/41/837587341.db2.gz BBEUOLUZOCCQPG-HUUCEWRRSA-N 1 0 320.393 1.302 20 5 DDBDRO C[NH+](C)CC[C@H]1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC001154643824 861314649 /nfs/dbraw/zinc/31/46/49/861314649.db2.gz MWGQSXFRDPOFKD-NSHDSACASA-N 1 0 306.366 1.591 20 5 DDBDRO CCCN(C(=O)c1[nH]nc([N+](=O)[O-])c1Cl)[C@@H]1CC[N@H+](C)C1 ZINC001143030062 861347793 /nfs/dbraw/zinc/34/77/93/861347793.db2.gz XXPAUMJIWTYUJH-MRVPVSSYSA-N 1 0 315.761 1.528 20 5 DDBDRO C[NH+](C)C[C@@H]1COCCN1c1cc([N+](=O)[O-])cc(Cl)n1 ZINC001154962885 861604327 /nfs/dbraw/zinc/60/43/27/861604327.db2.gz WSQWPUGGZIRIOE-SNVBAGLBSA-N 1 0 300.746 1.410 20 5 DDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC001326815652 861628024 /nfs/dbraw/zinc/62/80/24/861628024.db2.gz AIZMGJDSUQHFGR-GXFFZTMASA-N 1 0 304.350 1.461 20 5 DDBDRO Cc1nc(C)c(C[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCC2)o1 ZINC001326823804 861633624 /nfs/dbraw/zinc/63/36/24/861633624.db2.gz ZKVNIKYXJZSANX-VXGBXAGGSA-N 1 0 322.365 1.085 20 5 DDBDRO O=C1C[C@H]2[NH2+]CC[C@]2(Nc2ccc3ccc([N+](=O)[O-])cc3n2)N1 ZINC001155572787 862241902 /nfs/dbraw/zinc/24/19/02/862241902.db2.gz XWHMTOHTORLMDW-DOMZBBRYSA-N 1 0 313.317 1.133 20 5 DDBDRO Cc1ncc([N+](=O)[O-])c(NC[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)n1 ZINC001155597071 862274057 /nfs/dbraw/zinc/27/40/57/862274057.db2.gz LAWPVQYABHKSAP-BXUZGUMPSA-N 1 0 307.354 1.264 20 5 DDBDRO Cc1ncc([N+](=O)[O-])c(N[C@H]2CCCC[C@@]23C[NH2+]CCO3)n1 ZINC001155826827 862480709 /nfs/dbraw/zinc/48/07/09/862480709.db2.gz UTUVNXWXQSTNHO-GXTWGEPZSA-N 1 0 307.354 1.406 20 5 DDBDRO COc1ncnc(N[C@H]2CCCC[C@@]23C[NH2+]CCO3)c1[N+](=O)[O-] ZINC001155826544 862481617 /nfs/dbraw/zinc/48/16/17/862481617.db2.gz LKZDMTIXAJUXLU-IINYFYTJSA-N 1 0 323.353 1.107 20 5 DDBDRO O=[N+]([O-])c1ccc2ncnc(N(c3ncccn3)C3C[NH2+]C3)c2c1 ZINC001155870199 862525716 /nfs/dbraw/zinc/52/57/16/862525716.db2.gz UXQPTNQRCSMHKT-UHFFFAOYSA-N 1 0 323.316 1.438 20 5 DDBDRO CN(C)/C=C/c1cc(N(C)C2CC[NH2+]CC2)ncc1[N+](=O)[O-] ZINC001156176097 862777059 /nfs/dbraw/zinc/77/70/59/862777059.db2.gz SCAIFBFMYYKUST-RMKNXTFCSA-N 1 0 305.382 1.710 20 5 DDBDRO C[NH+]1CC2(C1)CCN(C(=O)COc1ccc([N+](=O)[O-])c(F)c1)C2 ZINC001328360293 862923360 /nfs/dbraw/zinc/92/33/60/862923360.db2.gz LLAFUUPMXOMSFP-UHFFFAOYSA-N 1 0 323.324 1.277 20 5 DDBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCC[C@H]1CSCC[NH2+]1 ZINC001122001893 858657338 /nfs/dbraw/zinc/65/73/38/858657338.db2.gz VKOXTLNYSLCUPT-YIALFULDSA-N 1 0 321.402 1.819 20 5 DDBDRO COc1cccc(C(=O)N2CCC3(C[NH2+]C3)CC2)c1[N+](=O)[O-] ZINC001122129836 858693257 /nfs/dbraw/zinc/69/32/57/858693257.db2.gz RKILXECZLXAZIQ-UHFFFAOYSA-N 1 0 305.334 1.429 20 5 DDBDRO COc1ccc(C(=O)N2CCC[C@@]23CC[NH2+]C3)cc1[N+](=O)[O-] ZINC001122327830 858755343 /nfs/dbraw/zinc/75/53/43/858755343.db2.gz QQMUJPCXZWCWMQ-HNNXBMFYSA-N 1 0 305.334 1.572 20 5 DDBDRO COC[C@H]1C[NH2+]CCN1C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC001122332212 858758141 /nfs/dbraw/zinc/75/81/41/858758141.db2.gz PMERHFNPJQNERC-HJHHMULASA-N 1 0 305.334 1.055 20 5 DDBDRO C[C@@H]1C[C@H]2CC[C@@H](C(=O)NCCn3cc([N+](=O)[O-])cn3)C[N@@H+]2C1 ZINC001123668798 859352743 /nfs/dbraw/zinc/35/27/43/859352743.db2.gz HIGHYNGCOLJXKA-JHJVBQTASA-N 1 0 321.381 1.028 20 5 DDBDRO Cc1ccncc1C(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001125190459 859914736 /nfs/dbraw/zinc/91/47/36/859914736.db2.gz KAUWAKBNHTWFSA-UHFFFAOYSA-N 1 0 314.345 1.818 20 5 DDBDRO CC(C)[C@]1(CO)CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001325875295 860909853 /nfs/dbraw/zinc/90/98/53/860909853.db2.gz UILNHUPTGUHFSQ-JKSUJKDBSA-N 1 0 308.378 1.969 20 5 DDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001326087301 861092879 /nfs/dbraw/zinc/09/28/79/861092879.db2.gz JQOISYOWWCVKSV-MNOVXSKESA-N 1 0 304.350 1.603 20 5 DDBDRO Nc1cc([N+](=O)[O-])cnc1-n1cc(CC[NH3+])c2cc(O)ccc21 ZINC001157220500 863661758 /nfs/dbraw/zinc/66/17/58/863661758.db2.gz ONXBFVMUPPFYLJ-UHFFFAOYSA-N 1 0 313.317 1.723 20 5 DDBDRO CCC[NH+]1C[C@H]2CN(c3nc(Cl)ncc3[N+](=O)[O-])C[C@@H]2C1 ZINC001157688077 864046720 /nfs/dbraw/zinc/04/67/20/864046720.db2.gz FIQMUPCDVJMYFD-UWVGGRQHSA-N 1 0 311.773 1.816 20 5 DDBDRO CCCc1ccc(C[NH2+]CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC001157767815 864117580 /nfs/dbraw/zinc/11/75/80/864117580.db2.gz VTYCYFXRGXYZJZ-HZPDHXFCSA-N 1 0 319.405 1.900 20 5 DDBDRO Cc1cc(NCC(C)(C)N2CC[NH+](C)CC2)ncc1[N+](=O)[O-] ZINC001330377746 864285621 /nfs/dbraw/zinc/28/56/21/864285621.db2.gz MSQIJSUYANHRFW-UHFFFAOYSA-N 1 0 307.398 1.736 20 5 DDBDRO [NH3+]CCc1cnn(C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)c1 ZINC001158099799 864427602 /nfs/dbraw/zinc/42/76/02/864427602.db2.gz WMGDFSOPALRFMM-UHFFFAOYSA-N 1 0 317.683 1.939 20 5 DDBDRO CC1(C)CC[NH2+][C@@H]1C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001330592026 864474887 /nfs/dbraw/zinc/47/48/87/864474887.db2.gz NGQBHZGGCJLPMU-CQSZACIVSA-N 1 0 303.362 1.868 20 5 DDBDRO Cc1c(C)c(N2CCO[C@@H](C[NH+]3CCCC3)C2)ncc1[N+](=O)[O-] ZINC001158309140 864563980 /nfs/dbraw/zinc/56/39/80/864563980.db2.gz CAXWSQSDDISGKV-AWEZNQCLSA-N 1 0 320.393 1.908 20 5 DDBDRO COc1nc(C)c([N+](=O)[O-])c(N2CC[N@H+](C)CC23CCCC3)n1 ZINC001158408907 864634590 /nfs/dbraw/zinc/63/45/90/864634590.db2.gz RADYNNACBWBLKP-UHFFFAOYSA-N 1 0 321.381 1.766 20 5 DDBDRO CCOC(=O)c1ccnc(N2CC[N@@H+]3CC[C@@H]3C2)c1[N+](=O)[O-] ZINC001158432745 864653199 /nfs/dbraw/zinc/65/31/99/864653199.db2.gz YZFQCDXFSDWYIT-SNVBAGLBSA-N 1 0 306.322 1.061 20 5 DDBDRO CC[N@@H+]1CCN(c2ncc(C(=O)OC)cc2[N+](=O)[O-])C(C)(C)C1 ZINC001158563004 864728719 /nfs/dbraw/zinc/72/87/19/864728719.db2.gz RGQHOIKZWLFXGZ-UHFFFAOYSA-N 1 0 322.365 1.697 20 5 DDBDRO C[C@@H]([NH3+])C(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC001330980915 864751749 /nfs/dbraw/zinc/75/17/49/864751749.db2.gz DYBSNQGORFBCNB-ZCFIWIBFSA-N 1 0 302.128 1.321 20 5 DDBDRO CCN(C(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1)[C@@H]1CC[NH2+]C1 ZINC001331444940 865091097 /nfs/dbraw/zinc/09/10/97/865091097.db2.gz WQWRNTGPPYGWOC-GFCCVEGCSA-N 1 0 307.350 1.736 20 5 DDBDRO C[C@H](Nc1ccc2ccc([N+](=O)[O-])cc2n1)[C@@H]1C[NH2+]CCO1 ZINC001159499810 865354230 /nfs/dbraw/zinc/35/42/30/865354230.db2.gz VRFXRLTYBSYQKR-HZMBPMFUSA-N 1 0 302.334 1.932 20 5 DDBDRO CCOC(=O)CN(CC[NH3+])c1nccc2ccc([N+](=O)[O-])cc21 ZINC001159865001 865568553 /nfs/dbraw/zinc/56/85/53/865568553.db2.gz TXCZBQBCAHSFFQ-UHFFFAOYSA-N 1 0 318.333 1.471 20 5 DDBDRO [NH3+]CCCCNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC001332452984 865851763 /nfs/dbraw/zinc/85/17/63/865851763.db2.gz RBKBWIILOFRDPP-UHFFFAOYSA-N 1 0 303.721 1.785 20 5 DDBDRO C[NH+]1CCC(OCC(=O)NCc2ccccc2[N+](=O)[O-])CC1 ZINC001332912475 866245786 /nfs/dbraw/zinc/24/57/86/866245786.db2.gz WLOIYDRONWNZNO-UHFFFAOYSA-N 1 0 307.350 1.322 20 5 DDBDRO COc1nc(NC2CCN([C@H]3CC[NH2+]C3)CC2)ccc1[N+](=O)[O-] ZINC001161463630 866683899 /nfs/dbraw/zinc/68/38/99/866683899.db2.gz FPJVSKLHXIKGRE-LBPRGKRZSA-N 1 0 321.381 1.237 20 5 DDBDRO C[C@H](NC(=O)COC1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC001333459685 866765513 /nfs/dbraw/zinc/76/55/13/866765513.db2.gz ZWVYMGNJTJGOFM-LBPRGKRZSA-N 1 0 321.377 1.883 20 5 DDBDRO C[NH+](C)CC(=O)N[C@H]1CC[C@H](Nc2cc([N+](=O)[O-])ccn2)CC1 ZINC001161666118 866860546 /nfs/dbraw/zinc/86/05/46/866860546.db2.gz PDGNQMYKYZGMTQ-HAQNSBGRSA-N 1 0 321.381 1.391 20 5 DDBDRO C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)c3cc([N+](=O)[O-])n[nH]3)C[C@H]2C1 ZINC001333929371 867164535 /nfs/dbraw/zinc/16/45/35/867164535.db2.gz PVQYAGSAODEEBC-HBNTYKKESA-N 1 0 307.354 1.120 20 5 DDBDRO Cc1c(N[C@@H](C)CN2CC[NH2+]CC2)ccc([N+](=O)[O-])c1[N+](=O)[O-] ZINC001162097348 867251576 /nfs/dbraw/zinc/25/15/76/867251576.db2.gz NMQAHUFFGCHZAS-JTQLQIEISA-N 1 0 323.353 1.517 20 5 DDBDRO COC(=O)c1ccnc(N[C@@]2(C)CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC001162338155 867468763 /nfs/dbraw/zinc/46/87/63/867468763.db2.gz XCWWSNHXPHFJFD-AWEZNQCLSA-N 1 0 308.338 1.673 20 5 DDBDRO C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])cn3)C[C@@H]2C1 ZINC001334794522 867834675 /nfs/dbraw/zinc/83/46/75/867834675.db2.gz ALMDUVLAGDGJHQ-RWMBFGLXSA-N 1 0 318.377 1.792 20 5 DDBDRO COC(=O)[C@@H](Nc1ccc2cnccc2c1[N+](=O)[O-])C(C)(C)[NH3+] ZINC001162949758 867939643 /nfs/dbraw/zinc/93/96/43/867939643.db2.gz KUAIUOHURCAKSE-CYBMUJFWSA-N 1 0 318.333 1.834 20 5 DDBDRO COC(=O)c1ncc([N+](=O)[O-])cc1N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC001162988363 867975941 /nfs/dbraw/zinc/97/59/41/867975941.db2.gz WHWZSQGTORPTQY-SMDDNHRTSA-N 1 0 306.322 1.473 20 5 DDBDRO O=[N+]([O-])c1cc(F)ccc1N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC001335117119 868076230 /nfs/dbraw/zinc/07/62/30/868076230.db2.gz KNCAUYVTBUACJQ-QWHCGFSZSA-N 1 0 309.341 1.769 20 5 DDBDRO O=[N+]([O-])c1cnc(N[C@@H]2C[NH2+][C@@H]3COC[C@H]23)c(C(F)(F)F)c1 ZINC001163146504 868158494 /nfs/dbraw/zinc/15/84/94/868158494.db2.gz QKDDIEMZIGZTDU-SZEHBUNVSA-N 1 0 318.255 1.407 20 5 DDBDRO O=C1C[C@H]2[NH2+]CC[C@@]2(Nc2cc3cccnc3c3ncccc23)N1 ZINC001163254554 868266190 /nfs/dbraw/zinc/26/61/90/868266190.db2.gz SLDOTIKCQQLESQ-RDTXWAMCSA-N 1 0 319.368 1.773 20 5 DDBDRO C[C@@H]1CC[N@H+](CCNC(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC001335420939 868284881 /nfs/dbraw/zinc/28/48/81/868284881.db2.gz KFACAIAOJWPRQN-CYBMUJFWSA-N 1 0 320.393 1.778 20 5 DDBDRO C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC001322681417 868321628 /nfs/dbraw/zinc/32/16/28/868321628.db2.gz WCSHCHZBWHJZOG-CABCVRRESA-N 1 0 321.377 1.963 20 5 DDBDRO O=[N+]([O-])c1cncc(Cl)c1N[C@@H]1CCO[C@@]2(CC[NH2+]C2)C1 ZINC001163322276 868350312 /nfs/dbraw/zinc/35/03/12/868350312.db2.gz HKDUWSXVBSFTLG-RNCFNFMXSA-N 1 0 312.757 1.388 20 5 DDBDRO CC(C)(C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)n1cccn1 ZINC001336062766 868707468 /nfs/dbraw/zinc/70/74/68/868707468.db2.gz YUEQVRBBMQFGPN-CQSZACIVSA-N 1 0 304.350 1.850 20 5 DDBDRO C[C@@H](CNC(=O)N[C@@H]1CC[NH2+][C@H]1C)c1ccccc1[N+](=O)[O-] ZINC001336160647 868765270 /nfs/dbraw/zinc/76/52/70/868765270.db2.gz VZCPGTHVKVMWHH-GMXVVIOVSA-N 1 0 306.366 1.748 20 5 DDBDRO C[C@@H](NC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1ccccc1[N+](=O)[O-] ZINC001336165026 868766770 /nfs/dbraw/zinc/76/67/70/868766770.db2.gz XLCDKERLPJXFDQ-VCDKRKBESA-N 1 0 304.350 1.848 20 5 DDBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2C[C@H](C)CC[C@H]2C[NH3+])n1 ZINC001164079997 868928443 /nfs/dbraw/zinc/92/84/43/868928443.db2.gz XRBQATGWJITXOY-KCJUWKMLSA-N 1 0 322.369 1.215 20 5 DDBDRO C[NH+](C)CCOc1cc(NC[C@H]2CCC(=O)N2)ccc1[N+](=O)[O-] ZINC001164170448 868989672 /nfs/dbraw/zinc/98/96/72/868989672.db2.gz DOKLKERKKFYKPV-GFCCVEGCSA-N 1 0 322.365 1.226 20 5 DDBDRO COc1ccc(NCC2([NH+](C)C)CCN(C)CC2)nc1[N+](=O)[O-] ZINC001164206832 869014851 /nfs/dbraw/zinc/01/48/51/869014851.db2.gz GKWKHLZEKCISEW-UHFFFAOYSA-N 1 0 323.397 1.436 20 5 DDBDRO CCN1CCC[C@@H]1C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001336728334 869112098 /nfs/dbraw/zinc/11/20/98/869112098.db2.gz PURZKKARGYNLEZ-CYBMUJFWSA-N 1 0 320.393 1.997 20 5 DDBDRO O=[N+]([O-])c1c(Cl)nc(Cl)nc1-n1cnc2c1C[NH2+]CC2 ZINC001164313935 869118146 /nfs/dbraw/zinc/11/81/46/869118146.db2.gz XMNGXELHLTWVCV-UHFFFAOYSA-N 1 0 315.120 1.523 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@H]2c3ccccc3C[C@@H]2O)c1 ZINC001336785428 869141271 /nfs/dbraw/zinc/14/12/71/869141271.db2.gz ZRZVUVYTTVLQAP-ULQDDVLXSA-N 1 0 314.341 1.876 20 5 DDBDRO COC(=O)c1cnc(N2C[C@@H]3C[C@]3(C[NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC001165183930 869418635 /nfs/dbraw/zinc/41/86/35/869418635.db2.gz LBKBHIYRYRZAAQ-NHYWBVRUSA-N 1 0 320.349 1.164 20 5 DDBDRO Cc1cc(OCC(=O)N[C@@H]2C[NH+]3CCC2CC3)ccc1[N+](=O)[O-] ZINC001337315046 869431977 /nfs/dbraw/zinc/43/19/77/869431977.db2.gz BIHDGTLWNVAVED-CQSZACIVSA-N 1 0 319.361 1.492 20 5 DDBDRO O=C(CCc1cc(F)ccc1[N+](=O)[O-])N[C@H]1C[NH+]2CCC1CC2 ZINC001337408883 869474920 /nfs/dbraw/zinc/47/49/20/869474920.db2.gz IZAXLTZMIGUIHK-AWEZNQCLSA-N 1 0 321.352 1.877 20 5 DDBDRO O=[N+]([O-])c1ccc2ccnc(N3CCOCC34C[NH2+]C4)c2c1 ZINC001165289167 869498960 /nfs/dbraw/zinc/49/89/60/869498960.db2.gz ZBOMIVIIERIRHH-UHFFFAOYSA-N 1 0 300.318 1.322 20 5 DDBDRO Cc1ncc([N+](=O)[O-])c(N2C[C@H]3c4ccccc4C[NH2+][C@@H]3C2)n1 ZINC001165352215 869540692 /nfs/dbraw/zinc/54/06/92/869540692.db2.gz SUARVFPDWUQPSB-UONOGXRCSA-N 1 0 311.345 1.769 20 5 DDBDRO [NH3+][C@H]1[C@H]2CN(c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)nn3)C[C@@H]12 ZINC001165384364 869555754 /nfs/dbraw/zinc/55/57/54/869555754.db2.gz DOBFNDIAVYJMFG-KEODLESXSA-N 1 0 315.308 1.584 20 5 DDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC001337735042 869611512 /nfs/dbraw/zinc/61/15/12/869611512.db2.gz RRJVFKFRLHUQKX-HUUCEWRRSA-N 1 0 318.377 1.993 20 5 DDBDRO CS[C@H]1CN(c2cc(N)c([N+](=O)[O-])cn2)C[C@@H]1[NH+]1CCCC1 ZINC001337830210 869648705 /nfs/dbraw/zinc/64/87/05/869648705.db2.gz HSMNTUIHXQSRBR-STQMWFEESA-N 1 0 323.422 1.588 20 5 DDBDRO Cc1cc(C(=O)N[C@@H]2CC[C@@H]3C[N@@H+](C)C[C@@H]23)ccc1[N+](=O)[O-] ZINC001337837314 869652728 /nfs/dbraw/zinc/65/27/28/869652728.db2.gz ZXRKZUFYVVHDNO-MGPQQGTHSA-N 1 0 303.362 1.973 20 5 DDBDRO C[C@@H]1CCCN(c2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])[C@H]1C ZINC001166612050 870097045 /nfs/dbraw/zinc/09/70/45/870097045.db2.gz UXJKFXAYXYTPCM-NEPJUHHUSA-N 1 0 320.397 1.419 20 5 DDBDRO COc1cnc(-n2ccc([C@H]3CCC[NH2+]3)nc2=N)c([N+](=O)[O-])c1 ZINC001166700740 870168197 /nfs/dbraw/zinc/16/81/97/870168197.db2.gz LWVANBACHOVURJ-SNVBAGLBSA-N 1 0 316.321 1.088 20 5 DDBDRO [NH3+][C@@H]1CN(c2nc(Cl)nc3ccc([N+](=O)[O-])cc32)C[C@@H]1F ZINC001166928610 870389136 /nfs/dbraw/zinc/38/91/36/870389136.db2.gz HFWUSWAUCFRQTG-DTWKUNHWSA-N 1 0 311.704 1.677 20 5 DDBDRO Cc1ccc(-c2ccc(N3C[C@@H]([NH3+])[C@@H](F)C3)nn2)cc1[N+](=O)[O-] ZINC001166930356 870391399 /nfs/dbraw/zinc/39/13/99/870391399.db2.gz USWIGKROUUHXDW-NWDGAFQWSA-N 1 0 317.324 1.846 20 5 DDBDRO COc1ccc(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](C)C[C@H]23)cc1[N+](=O)[O-] ZINC001339318227 870444263 /nfs/dbraw/zinc/44/42/63/870444263.db2.gz SPVRSVWKEFGSQB-FRRDWIJNSA-N 1 0 319.361 1.673 20 5 DDBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+][C@@H]2C[C@@H](O)[C@@H](O)C2)c1 ZINC001203698902 870716034 /nfs/dbraw/zinc/71/60/34/870716034.db2.gz OSPVHUDREMWIML-UIKWRGBMSA-N 1 0 318.276 1.170 20 5 DDBDRO [NH3+][C@@H]1C[C@H](C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)[C@H]2C[C@H]21 ZINC001339933440 870791729 /nfs/dbraw/zinc/79/17/29/870791729.db2.gz CDZQMVDQAKHKLN-LJISPDSOSA-N 1 0 301.346 1.463 20 5 DDBDRO CCn1c([C@@H](C)[N+](=O)[O-])nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001340122133 870903817 /nfs/dbraw/zinc/90/38/17/870903817.db2.gz BLRDDWXEHTWSRL-LLVKDONJSA-N 1 0 310.402 1.603 20 5 DDBDRO CCn1c(C[N+](=O)[O-])nnc1N1CC[NH+](C(C)(C)CC)CC1 ZINC001340993635 871457789 /nfs/dbraw/zinc/45/77/89/871457789.db2.gz RUOLWQNCXFRHJI-UHFFFAOYSA-N 1 0 310.402 1.385 20 5 DDBDRO C[C@@H]1[C@H](C)[NH2+]C[C@H](C)N1C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC001341027341 871475165 /nfs/dbraw/zinc/47/51/65/871475165.db2.gz HTSJEZOJTFEXRF-RWMBFGLXSA-N 1 0 320.393 1.628 20 5 DDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC001341339885 871613408 /nfs/dbraw/zinc/61/34/08/871613408.db2.gz SUMFZTWUUIRTMJ-INIZCTEOSA-N 1 0 318.377 1.995 20 5 DDBDRO CCC1([NH+](C)C)CCN(c2nnc([C@@H](C)[N+](=O)[O-])n2C)CC1 ZINC001341358079 871620139 /nfs/dbraw/zinc/62/01/39/871620139.db2.gz CYGQXCFCOZXCDK-LLVKDONJSA-N 1 0 310.402 1.463 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCCC[C@@]12CCC[NH2+]C2 ZINC001342135233 872028155 /nfs/dbraw/zinc/02/81/55/872028155.db2.gz KVBKOOWJNOLVLR-HNNXBMFYSA-N 1 0 321.381 1.234 20 5 DDBDRO CCOc1ccc(C(=O)N2CC[C@H]3CC[C@@]32C[NH3+])cc1[N+](=O)[O-] ZINC001342260798 872106352 /nfs/dbraw/zinc/10/63/52/872106352.db2.gz WWMHXYYVIMXJPY-MLGOLLRUSA-N 1 0 319.361 1.947 20 5 DDBDRO COCC[C@H]1C[NH2+]CCN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC001342994684 872462909 /nfs/dbraw/zinc/46/29/09/872462909.db2.gz MUBJIDPQVPNKTC-HNNXBMFYSA-N 1 0 321.377 1.364 20 5 DDBDRO COc1ccc(C[NH+]2CCC(OCC(N)=O)CC2)cc1[N+](=O)[O-] ZINC001319457386 872642813 /nfs/dbraw/zinc/64/28/13/872642813.db2.gz KTKSXSSCYWAQAV-UHFFFAOYSA-N 1 0 323.349 1.070 20 5 DDBDRO O=C([C@H]1[C@@H]2CC[NH2+]C[C@@H]21)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001343528131 872660677 /nfs/dbraw/zinc/66/06/77/872660677.db2.gz XEJJMJRIJDMWJQ-PMPSAXMXSA-N 1 0 315.373 1.941 20 5 DDBDRO CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC001346923456 873937390 /nfs/dbraw/zinc/93/73/90/873937390.db2.gz WRWDTNGTGGNTHY-ZDUSSCGKSA-N 1 0 309.370 1.028 20 5 DDBDRO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC001346923455 873937423 /nfs/dbraw/zinc/93/74/23/873937423.db2.gz WRWDTNGTGGNTHY-CYBMUJFWSA-N 1 0 309.370 1.028 20 5 DDBDRO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccc([N+](=O)[O-])cc3[O-])[C@@H]2C1 ZINC001347597691 874205785 /nfs/dbraw/zinc/20/57/85/874205785.db2.gz RYERSXZWKPHXGH-BIMULSAOSA-N 1 0 305.334 1.370 20 5 DDBDRO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC001350089624 875530683 /nfs/dbraw/zinc/53/06/83/875530683.db2.gz VSHCNEHRKXSEJC-CFVMTHIKSA-N 1 0 303.362 1.594 20 5 DDBDRO Nc1ncc(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC001300131225 876970739 /nfs/dbraw/zinc/97/07/39/876970739.db2.gz ODWSCNNCXSVDSC-NWDGAFQWSA-N 1 0 319.365 1.319 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cccc2ccc(O)cc21 ZINC001227569799 883083702 /nfs/dbraw/zinc/08/37/02/883083702.db2.gz KVOISVMBIQKFRI-CQSZACIVSA-O 1 0 304.366 1.908 20 5 DDBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]CC[C@]1(O)CCOC1 ZINC000404221986 877013384 /nfs/dbraw/zinc/01/33/84/877013384.db2.gz YOULSLXWPCMCSL-ZDUSSCGKSA-N 1 0 300.742 1.879 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1C[C@@H](C)OC[C@@H]1C[C@@H]2CC[NH2+]C[C@@H]2O1 ZINC001217872989 877345480 /nfs/dbraw/zinc/34/54/80/877345480.db2.gz VZBDIXRHIAKZMR-SAXRGWBVSA-N 1 0 324.381 1.272 20 5 DDBDRO Cc1c(Br)cnc(O[C@H]2CC[NH2+]C2)c1[N+](=O)[O-] ZINC001218180709 877413492 /nfs/dbraw/zinc/41/34/92/877413492.db2.gz BBJTXWQNHCGJDV-ZETCQYMHSA-N 1 0 302.128 1.801 20 5 DDBDRO [NH3+]C[C@@]12CC[C@@H]1CCCN2C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC001355338613 878510461 /nfs/dbraw/zinc/51/04/61/878510461.db2.gz GQBAYJUWRQIJEU-LRDDRELGSA-N 1 0 319.361 1.704 20 5 DDBDRO O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[C@@H]1[NH2+]CC12CCCC2 ZINC001357151374 879819372 /nfs/dbraw/zinc/81/93/72/879819372.db2.gz SNUIRSPWJTWFMG-LBPRGKRZSA-N 1 0 315.333 1.942 20 5 DDBDRO COc1cc(C(=O)N2CC[C@H](C[NH3+])[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC001358249045 880380590 /nfs/dbraw/zinc/38/05/90/880380590.db2.gz BSWOZCCFWSFYTB-CMPLNLGQSA-N 1 0 307.350 1.660 20 5 DDBDRO O=C(N[C@@H]1C[NH+]2CCC1CC2)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC001358452813 880434996 /nfs/dbraw/zinc/43/49/96/880434996.db2.gz WIQQISMNYAKBCP-OAHLLOKOSA-N 1 0 314.345 1.900 20 5 DDBDRO CCOC(=O)c1cc(Cl)nnc1O[C@@H](C)C[N+](C)(C)C ZINC001227959629 883257962 /nfs/dbraw/zinc/25/79/62/883257962.db2.gz AGNXWJYCGQEONF-VIFPVBQESA-N 1 0 302.782 1.780 20 5 DDBDRO C[C@@H](C[N+](C)(C)C)Oc1ncc(I)cn1 ZINC001227978012 883265060 /nfs/dbraw/zinc/26/50/60/883265060.db2.gz YAZVFQXCPONQND-QMMMGPOBSA-N 1 0 322.170 1.555 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cc(Cl)cnc1[N+](=O)[O-] ZINC001233713539 887245318 /nfs/dbraw/zinc/24/53/18/887245318.db2.gz SRMNAIRXWNSKKN-SECBINFHSA-N 1 0 318.737 1.006 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2C[C@@H]3C[C@]3([NH3+])C2)c1F ZINC001246870322 892961735 /nfs/dbraw/zinc/96/17/35/892961735.db2.gz OJNOBAUKEKFIGN-YHAQOWFVSA-N 1 0 309.341 1.707 20 5 DDBDRO C[C@@]1(c2nc(-c3ncc(F)cc3[N+](=O)[O-])no2)CCC[NH2+]C1 ZINC001248305844 893594540 /nfs/dbraw/zinc/59/45/40/893594540.db2.gz AJALSNGMAVAEJC-CYBMUJFWSA-N 1 0 307.285 1.820 20 5 DDBDRO CC(C)(C)[NH+]1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC001251275991 894682034 /nfs/dbraw/zinc/68/20/34/894682034.db2.gz UOQNXAOKVMZHFZ-UHFFFAOYSA-N 1 0 309.370 1.124 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@]3(CO)CCOC3)CC2)cc1 ZINC001254472588 896456195 /nfs/dbraw/zinc/45/61/95/896456195.db2.gz FNCZTMQQGVGQEG-MRXNPFEDSA-N 1 0 321.377 1.305 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001254538795 896494480 /nfs/dbraw/zinc/49/44/80/896494480.db2.gz BRWBVFOPJCTUGK-NEPJUHHUSA-N 1 0 312.391 1.550 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCN1CCC[C@H](O)C1 ZINC001254539600 896494573 /nfs/dbraw/zinc/49/45/73/896494573.db2.gz FTXXPTZIQPAOTR-HIFRSBDPSA-N 1 0 307.394 1.572 20 5 DDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CCN(C2COC2)CC1 ZINC001254540917 896496028 /nfs/dbraw/zinc/49/60/28/896496028.db2.gz WOFUFVCTBWDQFW-ZDUSSCGKSA-N 1 0 319.405 1.979 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+][C@H]1CCN(C3COC3)C1)C2 ZINC001254573866 896508095 /nfs/dbraw/zinc/50/80/95/896508095.db2.gz DEAUCGXMAGPRPU-KBPBESRZSA-N 1 0 303.362 1.125 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]C1CC3(C1)CS(=O)(=O)C3)C2 ZINC001254575401 896511092 /nfs/dbraw/zinc/51/10/92/896511092.db2.gz QKWXUZFVANLTKR-GFCCVEGCSA-N 1 0 322.386 1.229 20 5 DDBDRO COc1ccc(C[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)nn1 ZINC001254576958 896511613 /nfs/dbraw/zinc/51/16/13/896511613.db2.gz BDQYLHSLBLGGAL-ZDUSSCGKSA-N 1 0 300.318 1.650 20 5 DDBDRO O=C1COC2(C1)CC[NH+]([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)CC2 ZINC001254592933 896521500 /nfs/dbraw/zinc/52/15/00/896521500.db2.gz HFSAJQNXQOOLDQ-OAHLLOKOSA-N 1 0 316.357 1.886 20 5 DDBDRO Cc1nc(CC[N@@H+](C)[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)no1 ZINC001254595037 896521580 /nfs/dbraw/zinc/52/15/80/896521580.db2.gz VDDPKVIDURHZNT-CQSZACIVSA-N 1 0 302.334 1.928 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CCOC3(CCOCC3)C1)C2 ZINC001254608184 896531127 /nfs/dbraw/zinc/53/11/27/896531127.db2.gz OZUVYJOOAOLJIR-MRXNPFEDSA-N 1 0 318.373 1.943 20 5 DDBDRO O=C1CCC2(CC[NH+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)CC2)N1 ZINC001254611756 896533799 /nfs/dbraw/zinc/53/37/99/896533799.db2.gz SOCZUBUCKJCTLY-HNNXBMFYSA-N 1 0 315.373 1.807 20 5 DDBDRO COc1cc(N2CCC([NH2+][C@H](C)CO)CC2)ccc1[N+](=O)[O-] ZINC001256081998 897276404 /nfs/dbraw/zinc/27/64/04/897276404.db2.gz HUIAEURGQPOGRB-LLVKDONJSA-N 1 0 309.366 1.543 20 5 DDBDRO COC1(OC)CC(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001262561302 900246270 /nfs/dbraw/zinc/24/62/70/900246270.db2.gz QZBFPAMEKMMJTC-CQSZACIVSA-N 1 0 310.350 1.617 20 5 DDBDRO C[C@@H]1C[NH2+]C[C@H]1CNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC001262578977 900257999 /nfs/dbraw/zinc/25/79/99/900257999.db2.gz DDCVYIVLNQYGMF-YPMHNXCESA-N 1 0 306.366 1.292 20 5 DDBDRO C[NH2+][C@@H](C)CCNC(=O)NC[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001262584841 900262384 /nfs/dbraw/zinc/26/23/84/900262384.db2.gz MOGNXYNRNTZHFU-NEPJUHHUSA-N 1 0 308.382 1.996 20 5 DDBDRO C[C@@H](CNC(=O)[C@]12C[NH2+]C[C@H]1COC2)c1ccccc1[N+](=O)[O-] ZINC001263236496 900544619 /nfs/dbraw/zinc/54/46/19/900544619.db2.gz ODOGHCJAGDXYBS-MKBNYLNASA-N 1 0 319.361 1.051 20 5 DDBDRO O=C(CCNc1ccccc1[N+](=O)[O-])NC[C@H]1CCC[NH2+]CC1 ZINC001263322952 900574906 /nfs/dbraw/zinc/57/49/06/900574906.db2.gz BLMQGGFFMIDUQY-ZDUSSCGKSA-N 1 0 320.393 1.903 20 5 DDBDRO Cc1cc(F)ccc1C[N@H+](C)CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001264985196 901392612 /nfs/dbraw/zinc/39/26/12/901392612.db2.gz PVZWVVJFLDQMHD-HUUCEWRRSA-N 1 0 323.368 1.737 20 5 DDBDRO C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000278308495 214081435 /nfs/dbraw/zinc/08/14/35/214081435.db2.gz STOHKIMXQWEDPU-WPRPVWTQSA-N 1 0 308.294 1.373 20 5 DDBDRO O=[N+]([O-])c1ncn(C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)n1 ZINC000278579115 214252400 /nfs/dbraw/zinc/25/24/00/214252400.db2.gz OMOXBIAOEHRDTD-CQSZACIVSA-N 1 0 317.349 1.477 20 5 DDBDRO C[C@H](CNc1nc2cc([N+](=O)[O-])ccc2[nH]1)[NH+]1CCN(C)CC1 ZINC000278597606 214265013 /nfs/dbraw/zinc/26/50/13/214265013.db2.gz ZHXSCGHKCBHKLD-LLVKDONJSA-N 1 0 318.381 1.519 20 5 DDBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1F ZINC000304943457 230939601 /nfs/dbraw/zinc/93/96/01/230939601.db2.gz PRJJUTPYHUILFK-RISCZKNCSA-N 1 0 322.340 1.951 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)C[C@H]1CCC[C@@H]1O ZINC000305361541 231003756 /nfs/dbraw/zinc/00/37/56/231003756.db2.gz UEYDNHKERNMGSR-DOMZBBRYSA-N 1 0 321.377 1.935 20 5 DDBDRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000614712443 361986086 /nfs/dbraw/zinc/98/60/86/361986086.db2.gz CRZDOLAAOSOBOM-GHMZBOCLSA-N 1 0 310.329 1.529 20 5 DDBDRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000614712484 361986174 /nfs/dbraw/zinc/98/61/74/361986174.db2.gz DTFKTXVCBZCNSA-ZIAGYGMSSA-N 1 0 307.350 1.573 20 5 DDBDRO COC[C@@H]1CCCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000452028473 231274453 /nfs/dbraw/zinc/27/44/53/231274453.db2.gz HFXUIFUSYPTRKX-GJZGRUSLSA-N 1 0 324.377 1.835 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1CN1CC[N@H+](CCO)C[C@H]1C ZINC000452123109 231310961 /nfs/dbraw/zinc/31/09/61/231310961.db2.gz IAXXAPLDBIYJLB-GFCCVEGCSA-N 1 0 309.366 1.102 20 5 DDBDRO O=C(NC[C@H]1CCC[N@H+]1CCCO)c1csc([N+](=O)[O-])c1 ZINC000452348120 231355284 /nfs/dbraw/zinc/35/52/84/231355284.db2.gz KOINODGLXODLFB-LLVKDONJSA-N 1 0 313.379 1.233 20 5 DDBDRO CCOC(=O)[C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090552550 185302602 /nfs/dbraw/zinc/30/26/02/185302602.db2.gz WWEADVNLVZWENF-GFCCVEGCSA-N 1 0 323.349 1.032 20 5 DDBDRO CC(C)[C@H]1C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)CCS1 ZINC000090551234 185302976 /nfs/dbraw/zinc/30/29/76/185302976.db2.gz KJWXBHPLYSUPIB-CYBMUJFWSA-N 1 0 311.407 1.830 20 5 DDBDRO C[NH2+]C[C@@H](C)CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000420191189 529986470 /nfs/dbraw/zinc/98/64/70/529986470.db2.gz HJSRSVPWNQISFH-SSDOTTSWSA-N 1 0 307.397 1.327 20 5 DDBDRO C[NH2+]C[C@@H]1CCCN1C(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000417174772 529989718 /nfs/dbraw/zinc/98/97/18/529989718.db2.gz IIIJTGKFTMOHFS-ZDUSSCGKSA-N 1 0 322.365 1.497 20 5 DDBDRO CN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CC([NH3+])C1 ZINC000420330016 530021051 /nfs/dbraw/zinc/02/10/51/530021051.db2.gz KXGXOGNHZPEEIR-UHFFFAOYSA-N 1 0 303.322 1.566 20 5 DDBDRO Cc1cc(S(=O)(=O)NC[C@H](C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000292740794 282357183 /nfs/dbraw/zinc/35/71/83/282357183.db2.gz TWSRIDKLGAPSMR-JTQLQIEISA-N 1 0 315.395 1.379 20 5 DDBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCN1CCC1 ZINC000358334451 299123842 /nfs/dbraw/zinc/12/38/42/299123842.db2.gz YTGLSDSTYHLHDY-GFCCVEGCSA-N 1 0 306.366 1.607 20 5 DDBDRO C[C@@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H]1[NH+](C)C ZINC000331409618 233358802 /nfs/dbraw/zinc/35/88/02/233358802.db2.gz CFIAKZBAMMFANJ-QMTHXVAHSA-N 1 0 303.366 1.853 20 5 DDBDRO Cc1nn(C)c(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000155768582 186111365 /nfs/dbraw/zinc/11/13/65/186111365.db2.gz KCTHFDRRDGIYLI-NWDGAFQWSA-N 1 0 321.381 1.193 20 5 DDBDRO O=C([C@H]1CCCC[NH2+]1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000194281202 186276140 /nfs/dbraw/zinc/27/61/40/186276140.db2.gz PYTOSZMIMRUJBG-OAHLLOKOSA-N 1 0 318.377 1.386 20 5 DDBDRO COc1ccc(CC(=O)N(C)CC(C)(C)C[NH3+])cc1[N+](=O)[O-] ZINC000564834865 304017642 /nfs/dbraw/zinc/01/76/42/304017642.db2.gz DLSRKBLMDSQTBP-UHFFFAOYSA-N 1 0 309.366 1.589 20 5 DDBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000617407244 363090556 /nfs/dbraw/zinc/09/05/56/363090556.db2.gz OLBYEDWAWRMKTG-NSHDSACASA-N 1 0 309.370 1.415 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)n1 ZINC000331584523 233862374 /nfs/dbraw/zinc/86/23/74/233862374.db2.gz MXTZUVSNLJZRQY-RYUDHWBXSA-N 1 0 321.381 1.510 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(O)CC1 ZINC000026227980 352207263 /nfs/dbraw/zinc/20/72/63/352207263.db2.gz JRERWFOOHRRYER-UHFFFAOYSA-N 1 0 323.349 1.389 20 5 DDBDRO CC[NH+](CC)[C@H](C)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000032073248 352275300 /nfs/dbraw/zinc/27/53/00/352275300.db2.gz MFQLHKPYKNGJNZ-LLVKDONJSA-N 1 0 315.395 1.603 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)CC(=O)N(C)C ZINC000041894462 352317642 /nfs/dbraw/zinc/31/76/42/352317642.db2.gz SGKMMFSVSNAMIU-UHFFFAOYSA-N 1 0 322.365 1.252 20 5 DDBDRO [NH3+][C@@H]1CC[C@H](C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000172818728 198152694 /nfs/dbraw/zinc/15/26/94/198152694.db2.gz IAJPFWCYNBKLKZ-QWHCGFSZSA-N 1 0 318.377 1.371 20 5 DDBDRO O=C(Cn1cc([N+](=O)[O-])cn1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000049074067 352550125 /nfs/dbraw/zinc/55/01/25/352550125.db2.gz BSCOMMYPHGTPJE-UHFFFAOYSA-N 1 0 321.381 1.126 20 5 DDBDRO CNC(=O)C1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000051505585 352588226 /nfs/dbraw/zinc/58/82/26/352588226.db2.gz YKNNHJYKFPWOFP-UHFFFAOYSA-N 1 0 307.350 1.432 20 5 DDBDRO CC[NH+]1CCC(NC(=O)CSc2ncccc2[N+](=O)[O-])CC1 ZINC000065693063 352958166 /nfs/dbraw/zinc/95/81/66/352958166.db2.gz OTPFWNZZEJPEQV-UHFFFAOYSA-N 1 0 324.406 1.682 20 5 DDBDRO C[C@@H]1C[N@@H+](C2CCN(c3c([N+](=O)[O-])ncn3C)CC2)CCO1 ZINC000078960990 353543011 /nfs/dbraw/zinc/54/30/11/353543011.db2.gz IHVKREMAINXHPQ-LLVKDONJSA-N 1 0 309.370 1.018 20 5 DDBDRO COCc1cc([N+](=O)[O-])ccc1NC[C@H](C)N1CC[NH+](C)CC1 ZINC000080611188 353617817 /nfs/dbraw/zinc/61/78/17/353617817.db2.gz IKWGTFMBAMGEAI-ZDUSSCGKSA-N 1 0 322.409 1.789 20 5 DDBDRO C[N@@H+](Cc1cn[nH]c1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000085825085 353736877 /nfs/dbraw/zinc/73/68/77/353736877.db2.gz ZUFGEVQMUHVSMM-ZDUSSCGKSA-N 1 0 306.322 1.190 20 5 DDBDRO CC[C@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000122684481 354027809 /nfs/dbraw/zinc/02/78/09/354027809.db2.gz VSZWZMAESDDYCX-GWCFXTLKSA-N 1 0 313.379 1.343 20 5 DDBDRO CC[N@H+](CCO)CCNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000617765323 363297223 /nfs/dbraw/zinc/29/72/23/363297223.db2.gz WDGNUOTXPCNLQC-LBPRGKRZSA-N 1 0 309.366 1.129 20 5 DDBDRO Nc1ccc(C(=O)N2CCC[N@@H+](C3CC3)CC2)cc1[N+](=O)[O-] ZINC000149247154 354172484 /nfs/dbraw/zinc/17/24/84/354172484.db2.gz IODKXKCYNYONGG-UHFFFAOYSA-N 1 0 304.350 1.487 20 5 DDBDRO C[C@@H]1CN(C(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000493414994 234806451 /nfs/dbraw/zinc/80/64/51/234806451.db2.gz GDWOMIQLKGBEBY-ZRIUIHNJSA-N 1 0 307.325 1.943 20 5 DDBDRO C[C@H](NC(=O)NC[C@@]1(O)CC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000358668488 299218453 /nfs/dbraw/zinc/21/84/53/299218453.db2.gz XNRIFYZIDPGCGH-NHYWBVRUSA-N 1 0 322.365 1.022 20 5 DDBDRO CCO[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(C)c2)C[C@H]1C[NH3+] ZINC000405333766 354678803 /nfs/dbraw/zinc/67/88/03/354678803.db2.gz IBUKBULPSRPLGI-TZMCWYRMSA-N 1 0 307.350 1.339 20 5 DDBDRO COC[C@@]1(CNC(=O)c2cc([N+](=O)[O-])ccc2OC)CCC[NH2+]1 ZINC000357272582 291042022 /nfs/dbraw/zinc/04/20/22/291042022.db2.gz NAJWMGLRXVIWDW-HNNXBMFYSA-N 1 0 323.349 1.102 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@@H]([C@@H](C)O)C2)c1 ZINC000589510628 354998129 /nfs/dbraw/zinc/99/81/29/354998129.db2.gz BIRNOFJFECCVKQ-DGCLKSJQSA-N 1 0 322.361 1.974 20 5 DDBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000590404098 355086468 /nfs/dbraw/zinc/08/64/68/355086468.db2.gz UDMITAKAVIXUSI-RISCZKNCSA-N 1 0 307.350 1.525 20 5 DDBDRO COCC1([NH2+]CCOc2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000590601094 355127209 /nfs/dbraw/zinc/12/72/09/355127209.db2.gz OGWANTVGFGBEEA-UHFFFAOYSA-N 1 0 310.350 1.759 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCCC[C@@H]1C1(O)CC1 ZINC000590969160 355226047 /nfs/dbraw/zinc/22/60/47/355226047.db2.gz RZEYIOYMBFCNRZ-CYBMUJFWSA-N 1 0 307.350 1.136 20 5 DDBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000591348267 355294448 /nfs/dbraw/zinc/29/44/48/355294448.db2.gz IWVYMWGASUTKET-GXTWGEPZSA-N 1 0 304.350 1.488 20 5 DDBDRO C[C@H]([NH3+])CNC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000591361371 355301763 /nfs/dbraw/zinc/30/17/63/355301763.db2.gz XLKYOOIFEUBCJD-WCQYABFASA-N 1 0 306.366 1.831 20 5 DDBDRO O=[N+]([O-])c1cnc2ccc(N3CCC([C@H]4CCC[NH2+]4)CC3)nn21 ZINC000591431631 355309692 /nfs/dbraw/zinc/30/96/92/355309692.db2.gz XIVUPOVPPDJPKP-GFCCVEGCSA-N 1 0 316.365 1.606 20 5 DDBDRO [NH3+]C/C=C/CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000591279342 355276973 /nfs/dbraw/zinc/27/69/73/355276973.db2.gz GZBLPRCZVSNTLG-OWOJBTEDSA-N 1 0 316.264 1.833 20 5 DDBDRO C[C@H]1CCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@@H]1C[NH3+] ZINC000591284730 355278882 /nfs/dbraw/zinc/27/88/82/355278882.db2.gz CMEHVFOSQNUROC-AAEUAGOBSA-N 1 0 321.377 1.783 20 5 DDBDRO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592255453 355547544 /nfs/dbraw/zinc/54/75/44/355547544.db2.gz PSMXJXYGQNUUHT-QWRGUYRKSA-N 1 0 307.354 1.170 20 5 DDBDRO CC[C@H]1CN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC[C@H]1[NH3+] ZINC000592330897 355560449 /nfs/dbraw/zinc/56/04/49/355560449.db2.gz DWZOGYRVIZXQNX-SMDDNHRTSA-N 1 0 307.350 1.559 20 5 DDBDRO COc1cc(C(=O)N[C@H]2CCC[NH2+]CC2)cc([N+](=O)[O-])c1C ZINC000592330200 355560489 /nfs/dbraw/zinc/56/04/89/355560489.db2.gz IJLXECJDKPCKNV-LBPRGKRZSA-N 1 0 307.350 1.784 20 5 DDBDRO CC(C)[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)C1(CO)CC=CC1 ZINC000592176394 355526172 /nfs/dbraw/zinc/52/61/72/355526172.db2.gz VNXLZRASKRUJFI-AWEZNQCLSA-N 1 0 308.382 1.734 20 5 DDBDRO [NH3+]C[C@@H]1CCCn2ncc(C(=O)Nc3cccc([N+](=O)[O-])c3)c21 ZINC000592477926 355594488 /nfs/dbraw/zinc/59/44/88/355594488.db2.gz LAZYBFZCOKDURC-JTQLQIEISA-N 1 0 315.333 1.880 20 5 DDBDRO O=C(c1ccc([N+](=O)[O-])s1)N1CCN(C[C@@H]2CC[NH2+]C2)CC1 ZINC000592477983 355594656 /nfs/dbraw/zinc/59/46/56/355594656.db2.gz PPKMEICQBHKEIS-LLVKDONJSA-N 1 0 324.406 1.024 20 5 DDBDRO C[N@@H+]1CC[C@@H](Cn2c(=O)onc2-c2cccc([N+](=O)[O-])c2)C1 ZINC000592349567 355564402 /nfs/dbraw/zinc/56/44/02/355564402.db2.gz GKUGKDQXDGANSV-SNVBAGLBSA-N 1 0 304.306 1.363 20 5 DDBDRO CCCN(C(=O)c1c([N+](=O)[O-])c(C)nn1C)[C@H]1CC[N@H+](C)C1 ZINC000592833287 355707642 /nfs/dbraw/zinc/70/76/42/355707642.db2.gz YDOAFEHLTXJVQI-NSHDSACASA-N 1 0 309.370 1.193 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(CNC(C)(C)C[NH+](C)C)c1 ZINC000593033117 355775525 /nfs/dbraw/zinc/77/55/25/355775525.db2.gz JIAAFICAVXISRO-UHFFFAOYSA-N 1 0 309.366 1.811 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000593915356 356057792 /nfs/dbraw/zinc/05/77/92/356057792.db2.gz JFAUESGBAQTXQU-YGRLFVJLSA-N 1 0 306.366 1.888 20 5 DDBDRO COc1cccc(C(=O)N[C@@H](C[NH3+])C(F)(F)F)c1[N+](=O)[O-] ZINC000594451153 356221967 /nfs/dbraw/zinc/22/19/67/356221967.db2.gz MSVLBKFJWVSWSK-QMMMGPOBSA-N 1 0 307.228 1.223 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000594451344 356222014 /nfs/dbraw/zinc/22/20/14/356222014.db2.gz ROEYNTWLVYUQSA-VIFPVBQESA-N 1 0 321.255 1.613 20 5 DDBDRO CCC(C)(C)[NH+]1CCN(C(=O)c2[nH]nc(C)c2[N+](=O)[O-])CC1 ZINC000594389102 356193760 /nfs/dbraw/zinc/19/37/60/356193760.db2.gz FIVBOJAPRGPQCP-UHFFFAOYSA-N 1 0 309.370 1.573 20 5 DDBDRO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NC[C@H]1CCC[NH2+]C1 ZINC000594626816 356268761 /nfs/dbraw/zinc/26/87/61/356268761.db2.gz SUFIJDUYZSYAEX-LBPRGKRZSA-N 1 0 316.361 1.665 20 5 DDBDRO Cc1ccc(C[NH2+][C@@H]2CC[C@@H](C)S(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000594973479 356366548 /nfs/dbraw/zinc/36/65/48/356366548.db2.gz CTJWHLMQYBFMJW-DGCLKSJQSA-N 1 0 312.391 1.959 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000601334323 358503004 /nfs/dbraw/zinc/50/30/04/358503004.db2.gz XOSABXSMGUQSRD-WBMJQRKESA-N 1 0 318.377 1.573 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H]1CCC(=O)N(C)C1 ZINC000595006489 356371415 /nfs/dbraw/zinc/37/14/15/356371415.db2.gz ASWZQFOAJUTKNV-GHMZBOCLSA-N 1 0 307.350 1.875 20 5 DDBDRO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000595241610 356415326 /nfs/dbraw/zinc/41/53/26/356415326.db2.gz DHWIKVMMAUPCHM-GFCCVEGCSA-N 1 0 308.338 1.023 20 5 DDBDRO O=C(C[C@H]1[NH2+]Cc2ccccc21)NCCn1cc([N+](=O)[O-])cn1 ZINC000595251865 356418511 /nfs/dbraw/zinc/41/85/11/356418511.db2.gz YNBBWEUNWZLROJ-CQSZACIVSA-N 1 0 315.333 1.142 20 5 DDBDRO C[NH2+]C[C@H](C)NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000595261724 356424809 /nfs/dbraw/zinc/42/48/09/356424809.db2.gz ANEIJYQAJHECKK-LBPRGKRZSA-N 1 0 308.382 1.825 20 5 DDBDRO CC(C)(CN1CCOCC1)[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595542512 356540635 /nfs/dbraw/zinc/54/06/35/356540635.db2.gz GHTXYTWUUDQNNA-UHFFFAOYSA-N 1 0 311.357 1.934 20 5 DDBDRO CCC[NH2+]CCNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000236851743 202037163 /nfs/dbraw/zinc/03/71/63/202037163.db2.gz MLQUMWQZRJKUBT-UHFFFAOYSA-N 1 0 317.349 1.510 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[C@@H]1[C@H](C)O ZINC000595766584 356643864 /nfs/dbraw/zinc/64/38/64/356643864.db2.gz QDPKINPPQGBTGK-NWDGAFQWSA-N 1 0 307.350 1.687 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1C[C@@H](O)C12CCC2 ZINC000595781112 356649988 /nfs/dbraw/zinc/64/99/88/356649988.db2.gz KDFDQMQMNQEODE-ZIAGYGMSSA-N 1 0 319.361 1.735 20 5 DDBDRO NC(=O)c1ccc(C[NH2+][C@H]2C[C@@H](O)C23CCC3)c([N+](=O)[O-])c1 ZINC000595780606 356650106 /nfs/dbraw/zinc/65/01/06/356650106.db2.gz IDDDQMSIYFKQLD-QWHCGFSZSA-N 1 0 305.334 1.087 20 5 DDBDRO NC(=O)c1ccc(C[N@@H+]2CCC[C@@](O)(C3CC3)C2)c([N+](=O)[O-])c1 ZINC000595751425 356636471 /nfs/dbraw/zinc/63/64/71/356636471.db2.gz QGXHRZNKKRZAFU-INIZCTEOSA-N 1 0 319.361 1.431 20 5 DDBDRO COC(=O)[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)[C@H]1C ZINC000347202607 283207192 /nfs/dbraw/zinc/20/71/92/283207192.db2.gz KTMUWLZPDKJMIW-CMPLNLGQSA-N 1 0 308.334 1.987 20 5 DDBDRO Cc1c(NC(=O)[C@H](C)N2CC[C@@H](F)[C@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000595906311 356700590 /nfs/dbraw/zinc/70/05/90/356700590.db2.gz JHROSMOHHHTELG-QJPTWQEYSA-N 1 0 324.356 1.601 20 5 DDBDRO CC(C)([NH3+])c1cc(C(=O)NCCc2ccccc2[N+](=O)[O-])on1 ZINC000595940163 356715221 /nfs/dbraw/zinc/71/52/21/356715221.db2.gz OHWILZQPAQVXCF-UHFFFAOYSA-N 1 0 318.333 1.749 20 5 DDBDRO Nc1ccc(N2CCC([C@H]3CCC[NH2+]C3)CC2)nc1[N+](=O)[O-] ZINC000596014423 356746673 /nfs/dbraw/zinc/74/66/73/356746673.db2.gz POBAFYDAGHAJAJ-LBPRGKRZSA-N 1 0 305.382 1.788 20 5 DDBDRO CN1CC[NH+](CCCCNc2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596077401 356764279 /nfs/dbraw/zinc/76/42/79/356764279.db2.gz QCGQDVCMWRHDIX-UHFFFAOYSA-N 1 0 309.370 1.135 20 5 DDBDRO NC(=O)c1cc(N2CC[NH+](CC3CC3)CC2)ccc1[N+](=O)[O-] ZINC000596088563 356768194 /nfs/dbraw/zinc/76/81/94/356768194.db2.gz QBUKQVSBLKIBRG-UHFFFAOYSA-N 1 0 304.350 1.226 20 5 DDBDRO CC[NH+](CC)[C@H]1CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596139982 356789249 /nfs/dbraw/zinc/78/92/49/356789249.db2.gz AZAZSJZRTDSMLG-LBPRGKRZSA-N 1 0 306.366 1.614 20 5 DDBDRO C[NH+](C)C[C@@H](CO)Nc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000596242940 356830692 /nfs/dbraw/zinc/83/06/92/356830692.db2.gz GNURUDXNVMQNKG-ZETCQYMHSA-N 1 0 308.260 1.343 20 5 DDBDRO NC(=O)c1cc(N2CC[C@@H](C[NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000596134986 356786487 /nfs/dbraw/zinc/78/64/87/356786487.db2.gz QUNLFSUZGNTVLJ-LBPRGKRZSA-N 1 0 318.377 1.616 20 5 DDBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC(CO)(CO)C1 ZINC000597218853 357098342 /nfs/dbraw/zinc/09/83/42/357098342.db2.gz LZYHZANPUFTNPA-QPEQYQDCSA-N 1 0 306.362 1.675 20 5 DDBDRO CC(=O)NCC[C@@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000347670951 283250840 /nfs/dbraw/zinc/25/08/40/283250840.db2.gz YDJLZRQJVRLCTL-ZDUSSCGKSA-N 1 0 309.370 1.030 20 5 DDBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](CO)C[NH+](C)C ZINC000597653279 357270251 /nfs/dbraw/zinc/27/02/51/357270251.db2.gz IQQHRJJOVGIIGO-ZIAGYGMSSA-N 1 0 323.393 1.202 20 5 DDBDRO Cn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)n1 ZINC000597860017 357362091 /nfs/dbraw/zinc/36/20/91/357362091.db2.gz JWJRPTUBTRLQBQ-JTQLQIEISA-N 1 0 309.370 1.179 20 5 DDBDRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000597922938 357382924 /nfs/dbraw/zinc/38/29/24/357382924.db2.gz HEHQTSLPPCTRTM-NSHDSACASA-N 1 0 309.370 1.170 20 5 DDBDRO CCC[N@@H+]1CC[C@@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000598343107 357545992 /nfs/dbraw/zinc/54/59/92/357545992.db2.gz SJZPIJJXQCXPCL-CYBMUJFWSA-N 1 0 321.377 1.964 20 5 DDBDRO COC(=O)c1ccnc(NC2CC[NH+](C3CC3)CC2)c1[N+](=O)[O-] ZINC000598586428 357641581 /nfs/dbraw/zinc/64/15/81/357641581.db2.gz UQQARVQAWFKPHB-UHFFFAOYSA-N 1 0 320.349 1.815 20 5 DDBDRO CCC[N@@H+]1CC[C@@H](Nc2nccc(C(=O)OC)c2[N+](=O)[O-])C1 ZINC000598632779 357662591 /nfs/dbraw/zinc/66/25/91/357662591.db2.gz AVHCHJVHDCCVPJ-SNVBAGLBSA-N 1 0 308.338 1.673 20 5 DDBDRO CC1(C)CC[C@H](CO)[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000598650038 357670071 /nfs/dbraw/zinc/67/00/71/357670071.db2.gz XLOPKFKOYCRIBN-CYBMUJFWSA-N 1 0 309.366 1.239 20 5 DDBDRO C[C@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1CO ZINC000598648867 357670385 /nfs/dbraw/zinc/67/03/85/357670385.db2.gz IAHAZUMIZJXQCD-QWHCGFSZSA-N 1 0 321.377 1.874 20 5 DDBDRO O=C(CC[C@H]1CCC[NH2+]C1)NCCNc1ccccc1[N+](=O)[O-] ZINC000598663584 357675976 /nfs/dbraw/zinc/67/59/76/357675976.db2.gz DOLKPFUXFTWQAH-CYBMUJFWSA-N 1 0 320.393 1.903 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000598671105 357680101 /nfs/dbraw/zinc/68/01/01/357680101.db2.gz ZFRZQMXCIOZVEQ-ZBEGNZNMSA-N 1 0 319.361 1.947 20 5 DDBDRO COc1cc(C(=O)NC2CC([NH+](C)C)C2)c([N+](=O)[O-])cc1F ZINC000598718096 357702424 /nfs/dbraw/zinc/70/24/24/357702424.db2.gz JNYSAZJZULIUKT-UHFFFAOYSA-N 1 0 311.313 1.565 20 5 DDBDRO CN(CCN1CCOCC1)c1ccc2cnccc2c1[N+](=O)[O-] ZINC000599038173 357799009 /nfs/dbraw/zinc/79/90/09/357799009.db2.gz OIUHNTXCMCAFQW-UHFFFAOYSA-N 1 0 316.361 1.911 20 5 DDBDRO O=[N+]([O-])c1c(N2CCN(CCCF)CC2)nc2sccn21 ZINC000599091591 357812904 /nfs/dbraw/zinc/81/29/04/357812904.db2.gz COAJJCMPFJDLNA-UHFFFAOYSA-N 1 0 313.358 1.786 20 5 DDBDRO CCc1ccc(S(=O)(=O)N(CC)CC[NH3+])cc1[N+](=O)[O-] ZINC000599099541 357814976 /nfs/dbraw/zinc/81/49/76/357814976.db2.gz ZAWDEPUXYFNKOY-UHFFFAOYSA-N 1 0 301.368 1.127 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CC[NH2+][C@H]2C)cc1C ZINC000599110390 357818271 /nfs/dbraw/zinc/81/82/71/357818271.db2.gz CPONHMWHSWPJRK-WDEREUQCSA-N 1 0 313.379 1.240 20 5 DDBDRO O=[N+]([O-])c1ccc(NCC[N@H+]2CC[C@@H](O)C2)c2ncccc12 ZINC000599175935 357840366 /nfs/dbraw/zinc/84/03/66/357840366.db2.gz JYDFTLPBNNFGCO-LLVKDONJSA-N 1 0 302.334 1.622 20 5 DDBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H](O)CC1(O)CCC1 ZINC000599412154 357925667 /nfs/dbraw/zinc/92/56/67/357925667.db2.gz GIKYEOLAKLQVRX-AWEZNQCLSA-N 1 0 308.378 1.735 20 5 DDBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)CC1(C)COC1 ZINC000599571545 357979246 /nfs/dbraw/zinc/97/92/46/357979246.db2.gz KUVUUMXVSGAJKM-NSHDSACASA-N 1 0 307.350 1.890 20 5 DDBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000599632392 357998665 /nfs/dbraw/zinc/99/86/65/357998665.db2.gz IIXWGNIOZSORMD-GPAUDHNESA-N 1 0 324.402 1.959 20 5 DDBDRO CCOc1cc(CN2CCO[C@H](CC(N)=O)C2)ccc1[N+](=O)[O-] ZINC000599665583 358015404 /nfs/dbraw/zinc/01/54/04/358015404.db2.gz UIBHEHMPNNDKFI-GFCCVEGCSA-N 1 0 323.349 1.070 20 5 DDBDRO COc1ccc(C(=O)N2C[C@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1[N+](=O)[O-] ZINC000185026646 199797573 /nfs/dbraw/zinc/79/75/73/199797573.db2.gz HQHBULNYJIEYDB-UTUOFQBUSA-N 1 0 305.334 1.413 20 5 DDBDRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)c3c[nH]c4ccc([N+](=O)[O-])cc34)C[C@H]21 ZINC000599999994 358100472 /nfs/dbraw/zinc/10/04/72/358100472.db2.gz JBJMDLYGOGYXOV-NHAGDIPZSA-N 1 0 314.345 1.708 20 5 DDBDRO Cc1ccc(C[N@H+]2C[C@](C)(CO)[C@](C)(CO)C2)cc1[N+](=O)[O-] ZINC000600204432 358155551 /nfs/dbraw/zinc/15/55/51/358155551.db2.gz PQAUFAYFBYIXJR-IYBDPMFKSA-N 1 0 308.378 1.716 20 5 DDBDRO Cc1nn(C)c(C(=O)NC[C@@H]2CCCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000600310389 358192193 /nfs/dbraw/zinc/19/21/93/358192193.db2.gz IOJHNJWVRZFUPI-NSHDSACASA-N 1 0 309.370 1.098 20 5 DDBDRO C[C@@H]([NH3+])CCC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000237332524 202235318 /nfs/dbraw/zinc/23/53/18/202235318.db2.gz CGZMYPURKKWIJK-GFCCVEGCSA-N 1 0 306.366 1.371 20 5 DDBDRO COC(=O)c1cnc(NCCC[N@H+](C)C(C)C)c([N+](=O)[O-])c1 ZINC000276635965 213015354 /nfs/dbraw/zinc/01/53/54/213015354.db2.gz WWTZWCLHIZEZJY-UHFFFAOYSA-N 1 0 310.354 1.919 20 5 DDBDRO CCN(CC[NH3+])Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000600718255 358294652 /nfs/dbraw/zinc/29/46/52/358294652.db2.gz WKHRUKVKGWMBHP-UHFFFAOYSA-N 1 0 319.308 1.985 20 5 DDBDRO O=[N+]([O-])c1ccc(CO)c(-c2cnn(C3CC[NH2+]CC3)c2)c1 ZINC000600782454 358313742 /nfs/dbraw/zinc/31/37/42/358313742.db2.gz LLBPTXOEIQHYTR-UHFFFAOYSA-N 1 0 302.334 1.875 20 5 DDBDRO CN(C(=O)C[NH2+][C@H](CO)C(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000180619353 199185892 /nfs/dbraw/zinc/18/58/92/199185892.db2.gz COZSFCRNZFWXSK-CYBMUJFWSA-N 1 0 309.366 1.554 20 5 DDBDRO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CC(C[NH+](C)C)C1 ZINC000601170711 358431592 /nfs/dbraw/zinc/43/15/92/358431592.db2.gz VKRZLAWUXAJSQH-UHFFFAOYSA-N 1 0 307.276 1.345 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000601957864 358752870 /nfs/dbraw/zinc/75/28/70/358752870.db2.gz KPTPRVJEWPQDPT-INIZCTEOSA-N 1 0 316.361 1.737 20 5 DDBDRO C[C@@H]1C[C@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@H](C)O1 ZINC000601967092 358756704 /nfs/dbraw/zinc/75/67/04/358756704.db2.gz FHUJUAFUCPGTPP-XQHKEYJVSA-N 1 0 310.350 1.490 20 5 DDBDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1OC ZINC000348154475 283393512 /nfs/dbraw/zinc/39/35/12/283393512.db2.gz WDBZPOIYIRJCJF-OLZOCXBDSA-N 1 0 307.350 1.608 20 5 DDBDRO Cc1nn(C)c(N2CCC(OCC[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000358932093 299284736 /nfs/dbraw/zinc/28/47/36/299284736.db2.gz ZSUWZGTTWDVLOF-UHFFFAOYSA-N 1 0 311.386 1.184 20 5 DDBDRO CCN(CC[NH3+])C(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000602533714 359032162 /nfs/dbraw/zinc/03/21/62/359032162.db2.gz AKSAWVPFIQAQCM-UHFFFAOYSA-N 1 0 316.155 1.778 20 5 DDBDRO CO[C@@H](C[NH2+]CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCOC1 ZINC000602538507 359034170 /nfs/dbraw/zinc/03/41/70/359034170.db2.gz FVFRKDWFWMLXLR-DOMZBBRYSA-N 1 0 310.350 1.615 20 5 DDBDRO C[C@@]1(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCOC1 ZINC000602551483 359041537 /nfs/dbraw/zinc/04/15/37/359041537.db2.gz OKPUVPMNTHHVPJ-INIZCTEOSA-N 1 0 320.393 1.975 20 5 DDBDRO C[NH2+]CCOCCNC(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000602564846 359047434 /nfs/dbraw/zinc/04/74/34/359047434.db2.gz PFBKAGJHKWBKIQ-UHFFFAOYSA-N 1 0 313.379 1.283 20 5 DDBDRO C/C=C/C[C@H](CO)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602620053 359078559 /nfs/dbraw/zinc/07/85/59/359078559.db2.gz SOWYUDOGMFTRKA-BAABZTOOSA-N 1 0 320.393 1.875 20 5 DDBDRO C[C@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)N(C)C ZINC000602594294 359060746 /nfs/dbraw/zinc/06/07/46/359060746.db2.gz RAQLUOOQOLKEPN-GFCCVEGCSA-N 1 0 307.398 1.498 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CCN(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000602787494 359191154 /nfs/dbraw/zinc/19/11/54/359191154.db2.gz ZBVQLZFQFFMRSK-AWEZNQCLSA-N 1 0 309.414 1.906 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CCN(C)CC[C@H]1CCCC[N@@H+]1C ZINC000602787499 359191514 /nfs/dbraw/zinc/19/15/14/359191514.db2.gz ZBVQLZFQFFMRSK-CQSZACIVSA-N 1 0 309.414 1.906 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+](CCCO)Cc1ccccn1 ZINC000602820272 359214440 /nfs/dbraw/zinc/21/44/40/359214440.db2.gz HRYIWIVQFPXFSK-UHFFFAOYSA-N 1 0 319.365 1.379 20 5 DDBDRO Cc1cncc([N+](=O)[O-])c1NC(=O)N1CCC[N@@H+](C(C)C)CC1 ZINC000602955994 359320925 /nfs/dbraw/zinc/32/09/25/359320925.db2.gz GVVUUTUSBUQGLO-UHFFFAOYSA-N 1 0 321.381 1.668 20 5 DDBDRO C[C@](CO)([NH2+]CCn1ccccc1=O)c1cccc([N+](=O)[O-])c1 ZINC000602961756 359325725 /nfs/dbraw/zinc/32/57/25/359325725.db2.gz CFORGUIVIUAPEQ-MRXNPFEDSA-N 1 0 317.345 1.254 20 5 DDBDRO C[C@](CO)([NH2+]CCN1CCCC1=O)c1cccc([N+](=O)[O-])c1 ZINC000602966113 359330673 /nfs/dbraw/zinc/33/06/73/359330673.db2.gz XHOMTASJTGHQFV-OAHLLOKOSA-N 1 0 307.350 1.014 20 5 DDBDRO C[C@H]([NH2+][C@H]1C[C@@H](O)C1(C)C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000565666775 304083108 /nfs/dbraw/zinc/08/31/08/304083108.db2.gz STZBYVURNRLREI-TVYUQYBPSA-N 1 0 307.350 1.671 20 5 DDBDRO COCC[NH2+]CCc1cn(CCc2ccc([N+](=O)[O-])cc2)nn1 ZINC000603196306 359472685 /nfs/dbraw/zinc/47/26/85/359472685.db2.gz LELPVVYGHYRODE-UHFFFAOYSA-N 1 0 319.365 1.208 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1Cn1cc([C@H]2CCC[NH2+]C2)nn1 ZINC000603243381 359509710 /nfs/dbraw/zinc/50/97/10/359509710.db2.gz LRXZMWOLYXTXHY-NSHDSACASA-N 1 0 317.349 1.710 20 5 DDBDRO C[NH2+]C(C)(C)c1cn(Cc2ccc([N+](=O)[O-])c(OC)c2)nn1 ZINC000603245164 359512095 /nfs/dbraw/zinc/51/20/95/359512095.db2.gz ZUICWSIBWNYWJV-UHFFFAOYSA-N 1 0 305.338 1.698 20 5 DDBDRO CN(CC[N@H+](C)C1CC1)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000186779009 200009365 /nfs/dbraw/zinc/00/93/65/200009365.db2.gz AOLWBDWEVYZBSN-UHFFFAOYSA-N 1 0 307.350 1.526 20 5 DDBDRO C[C@@H](CNC(=O)NCCOc1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000565700409 304084669 /nfs/dbraw/zinc/08/46/69/304084669.db2.gz XRNCUHJZTBMYQC-NSHDSACASA-N 1 0 310.354 1.223 20 5 DDBDRO COc1ccc(CNC(=O)NCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000604105413 359717578 /nfs/dbraw/zinc/71/75/78/359717578.db2.gz NILNBUGECLGUBR-UHFFFAOYSA-N 1 0 310.354 1.354 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000604300334 359733220 /nfs/dbraw/zinc/73/32/20/359733220.db2.gz WDOAGRRMZRCMTN-UHFFFAOYSA-N 1 0 316.361 1.795 20 5 DDBDRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000237580220 202291369 /nfs/dbraw/zinc/29/13/69/202291369.db2.gz GJQPYLVMNOGMGN-QWHCGFSZSA-N 1 0 320.393 1.996 20 5 DDBDRO O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1CCC[NH+]1CCCC1 ZINC000188211752 200209501 /nfs/dbraw/zinc/20/95/01/200209501.db2.gz WIEVIGWQPNRALE-UHFFFAOYSA-N 1 0 303.318 1.677 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCC1CS(=O)(=O)C1)CCC2 ZINC000618577394 363680027 /nfs/dbraw/zinc/68/00/27/363680027.db2.gz FRAVBPVXLITYOA-HNNXBMFYSA-N 1 0 324.402 1.997 20 5 DDBDRO Nc1c(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc(F)cc1[N+](=O)[O-] ZINC000237877223 202377176 /nfs/dbraw/zinc/37/71/76/202377176.db2.gz GJTPUFJMKCGQHV-ULKQDVFKSA-N 1 0 308.313 1.329 20 5 DDBDRO [NH3+][C@H]1CCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000237920251 202391752 /nfs/dbraw/zinc/39/17/52/202391752.db2.gz QNURDKRJTNEEPO-JTQLQIEISA-N 1 0 313.741 1.577 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[NH+](C[C@@H](C)O)CC1 ZINC000189388503 200391984 /nfs/dbraw/zinc/39/19/84/200391984.db2.gz RTVMLHFXDUKFTR-GFCCVEGCSA-N 1 0 309.366 1.102 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000189394644 200392854 /nfs/dbraw/zinc/39/28/54/200392854.db2.gz PHXGZZDDMLEMLS-KGLIPLIRSA-N 1 0 307.394 1.963 20 5 DDBDRO NC(=O)c1ccc(N2CC[C@@H]([NH+]3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000609350841 360301344 /nfs/dbraw/zinc/30/13/44/360301344.db2.gz QCHWVEQRMJMWJY-CYBMUJFWSA-N 1 0 318.377 1.758 20 5 DDBDRO COc1ccc(CC(=O)N2CCC[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000609213988 360273641 /nfs/dbraw/zinc/27/36/41/360273641.db2.gz NCDBNXDZWSWWOD-CYBMUJFWSA-N 1 0 321.377 1.699 20 5 DDBDRO Cn1c(Sc2cccnc2[N+](=O)[O-])nnc1[C@H]1CCC[NH2+]C1 ZINC000609797298 360351434 /nfs/dbraw/zinc/35/14/34/360351434.db2.gz FWDYKZXOTUEQST-VIFPVBQESA-N 1 0 320.378 1.737 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@@H](C)[NH+](C)C)c1 ZINC000281203525 216150588 /nfs/dbraw/zinc/15/05/88/216150588.db2.gz LBWVMPNCMVHERH-GFCCVEGCSA-N 1 0 309.366 1.738 20 5 DDBDRO COC[C@H]1CCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000610605354 360481398 /nfs/dbraw/zinc/48/13/98/360481398.db2.gz ZMHUPJLJGJBCGV-KGLIPLIRSA-N 1 0 310.350 1.445 20 5 DDBDRO O=C1C[C@H]2CC[C@@H](CN1)[N@H+]2CCCOc1ccc([N+](=O)[O-])cc1 ZINC000610506737 360456478 /nfs/dbraw/zinc/45/64/78/360456478.db2.gz SUKMTCVEUGOQOL-KGLIPLIRSA-N 1 0 319.361 1.717 20 5 DDBDRO COc1ccc(C[NH2+]C2(CCO)CCOCC2)cc1[N+](=O)[O-] ZINC000610771660 360534257 /nfs/dbraw/zinc/53/42/57/360534257.db2.gz PBCZABGEZRFYFZ-UHFFFAOYSA-N 1 0 310.350 1.625 20 5 DDBDRO CC[N@@H+]1CCN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000611092121 360621976 /nfs/dbraw/zinc/62/19/76/360621976.db2.gz JFIFQSJQYSRZOS-CHWSQXEVSA-N 1 0 320.393 1.948 20 5 DDBDRO O=[N+]([O-])c1cc2c(cc1C[NH+]1CCC(CCO)CC1)OCCO2 ZINC000611253802 360681416 /nfs/dbraw/zinc/68/14/16/360681416.db2.gz HTJYKUCHMBYAHE-UHFFFAOYSA-N 1 0 322.361 1.960 20 5 DDBDRO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CCC[C@H](CCO)C1)OCCO2 ZINC000611268914 360684159 /nfs/dbraw/zinc/68/41/59/360684159.db2.gz FAIQNSNPZRQYAD-GFCCVEGCSA-N 1 0 322.361 1.960 20 5 DDBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]CC1(CO)CCC1)OCCO2 ZINC000612204266 360941885 /nfs/dbraw/zinc/94/18/85/360941885.db2.gz TWNOLVIVNINCGG-UHFFFAOYSA-N 1 0 308.334 1.618 20 5 DDBDRO CN(C)c1cc[nH+]c(NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)c1 ZINC000612345134 360978558 /nfs/dbraw/zinc/97/85/58/360978558.db2.gz BGBMTQIHPZUZHG-UHFFFAOYSA-N 1 0 318.337 1.626 20 5 DDBDRO CCn1ncnc1C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000359072508 299320613 /nfs/dbraw/zinc/32/06/13/299320613.db2.gz SQFDEHBZBVMEBY-NEPJUHHUSA-N 1 0 319.369 1.676 20 5 DDBDRO C[NH+](C)C[C@](C)(O)CNc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000565947500 304106211 /nfs/dbraw/zinc/10/62/11/304106211.db2.gz RLXAIKUAGNZMKO-OAHLLOKOSA-N 1 0 308.382 1.593 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@](O)(C[NH+](C)C)C1 ZINC000618923765 363803957 /nfs/dbraw/zinc/80/39/57/363803957.db2.gz KZPWZJGQZXZVBP-INIZCTEOSA-N 1 0 321.377 1.432 20 5 DDBDRO C[NH+](C)C1(CNC(=O)c2c[nH]nc2[N+](=O)[O-])CCCCCC1 ZINC000618926650 363805037 /nfs/dbraw/zinc/80/50/37/363805037.db2.gz USARDMUHKIADRF-UHFFFAOYSA-N 1 0 309.370 1.702 20 5 DDBDRO C[C@](O)(CO)C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000619464345 364023693 /nfs/dbraw/zinc/02/36/93/364023693.db2.gz WHINNNMJVRUMQN-GFCCVEGCSA-N 1 0 306.265 1.029 20 5 DDBDRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000619566960 364063794 /nfs/dbraw/zinc/06/37/94/364063794.db2.gz CVSMLBILXDBGDK-CYBMUJFWSA-N 1 0 321.377 1.916 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@@H]2CCC[N@H+]2C)c1 ZINC000281735322 216510208 /nfs/dbraw/zinc/51/02/08/216510208.db2.gz XUPJVOLNZOUNRI-ZDUSSCGKSA-N 1 0 321.377 1.883 20 5 DDBDRO CCC[C@@H]1C[NH2+]CCN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000359198903 299354368 /nfs/dbraw/zinc/35/43/68/299354368.db2.gz OQSGDLWSAFSXBI-CYBMUJFWSA-N 1 0 321.377 1.964 20 5 DDBDRO CN(C1CCC([NH3+])CC1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000091846252 193117196 /nfs/dbraw/zinc/11/71/96/193117196.db2.gz RBASTVPVOYMEOW-UHFFFAOYSA-N 1 0 313.379 1.485 20 5 DDBDRO Nc1ccc(N2CC[NH+]([C@@H]3CCSC3)CC2)c([N+](=O)[O-])c1 ZINC000376454134 307244420 /nfs/dbraw/zinc/24/44/20/307244420.db2.gz JIJXEKVGWHTDOO-GFCCVEGCSA-N 1 0 308.407 1.805 20 5 DDBDRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000275109357 212126562 /nfs/dbraw/zinc/12/65/62/212126562.db2.gz FSUBJSPSFSLVOE-JOYOIKCWSA-N 1 0 311.313 1.227 20 5 DDBDRO C[NH2+][C@@H]1CCN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000262167717 203217171 /nfs/dbraw/zinc/21/71/71/203217171.db2.gz JVQYNYYORJITDY-LLVKDONJSA-N 1 0 315.333 1.214 20 5 DDBDRO COc1ccc(C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000262438954 203294310 /nfs/dbraw/zinc/29/43/10/203294310.db2.gz GQADQCDIFNCWIP-NWDGAFQWSA-N 1 0 305.334 1.285 20 5 DDBDRO Nc1c(C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc(F)cc1[N+](=O)[O-] ZINC000262607560 203349693 /nfs/dbraw/zinc/34/96/93/203349693.db2.gz SYZBSDYWSUADKI-ZJUUUORDSA-N 1 0 308.313 1.283 20 5 DDBDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)[C@@H](C)N1CCOCC1 ZINC000293572040 296150485 /nfs/dbraw/zinc/15/04/85/296150485.db2.gz DNAICQGLVKKJFV-FRRDWIJNSA-N 1 0 322.409 1.937 20 5 DDBDRO O=C(N[C@H]1C[NH2+]CCC1(F)F)c1c(Cl)cccc1[N+](=O)[O-] ZINC000423693383 284245627 /nfs/dbraw/zinc/24/56/27/284245627.db2.gz GVCRLRWINOMJNG-VIFPVBQESA-N 1 0 319.695 1.975 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000264592874 204014508 /nfs/dbraw/zinc/01/45/08/204014508.db2.gz ANYJFTCOCQQRFU-GFCCVEGCSA-N 1 0 319.361 1.574 20 5 DDBDRO C[NH+](C)C1(CNc2ccc([N+](=O)[O-])c3nonc32)CCOCC1 ZINC000265020985 204347995 /nfs/dbraw/zinc/34/79/95/204347995.db2.gz HEWIJGRVQHTUDF-UHFFFAOYSA-N 1 0 321.337 1.654 20 5 DDBDRO CCC[N@H+](CC)CCNc1nc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000288304775 220073408 /nfs/dbraw/zinc/07/34/08/220073408.db2.gz IFZVHKUEBHTYBD-UHFFFAOYSA-N 1 0 310.354 1.920 20 5 DDBDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000266268659 205227046 /nfs/dbraw/zinc/22/70/46/205227046.db2.gz AZILPVGSHVAWJW-GRYCIOLGSA-N 1 0 307.350 1.936 20 5 DDBDRO C[C@]1(CO)CCC[C@H]1[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000351523503 284361129 /nfs/dbraw/zinc/36/11/29/284361129.db2.gz LVRGDMVLICARAH-UKRRQHHQSA-N 1 0 307.350 1.334 20 5 DDBDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1cnccn1 ZINC001120469438 781965359 /nfs/dbraw/zinc/96/53/59/781965359.db2.gz XKMUXUUPVUCYFD-VXGBXAGGSA-N 1 0 318.333 1.475 20 5 DDBDRO COc1cccc(C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000334103050 249215183 /nfs/dbraw/zinc/21/51/83/249215183.db2.gz IAGMSTNGCWECQK-QWRGUYRKSA-N 1 0 307.350 1.816 20 5 DDBDRO Cc1cc(NC[C@H]2COCCO2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000336860669 249268756 /nfs/dbraw/zinc/26/87/56/249268756.db2.gz UBDYBYQKASALJI-LBPRGKRZSA-N 1 0 303.318 1.701 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1CN1CCO[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000284715652 218146065 /nfs/dbraw/zinc/14/60/65/218146065.db2.gz ULZRFXDBGTWFQS-HZPDHXFCSA-N 1 0 305.378 1.808 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](CCOCCO)C(C)C ZINC000338592192 250046842 /nfs/dbraw/zinc/04/68/42/250046842.db2.gz KXYOMPJKGYOVSM-UHFFFAOYSA-N 1 0 312.366 1.823 20 5 DDBDRO C[C@@H]([NH2+][C@@H](C)C(=O)N1CCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285134879 218304732 /nfs/dbraw/zinc/30/47/32/218304732.db2.gz LPPBVGVKNHNTOJ-MNOVXSKESA-N 1 0 306.366 1.839 20 5 DDBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000285202319 218330576 /nfs/dbraw/zinc/33/05/76/218330576.db2.gz OVLGHGZQVVSING-GHMZBOCLSA-N 1 0 309.370 1.416 20 5 DDBDRO Cc1c(NC(=O)[C@@H](C)[NH2+]CCn2cccn2)cccc1[N+](=O)[O-] ZINC000112548226 194484640 /nfs/dbraw/zinc/48/46/40/194484640.db2.gz ZPGRFFFZNMNZAL-GFCCVEGCSA-N 1 0 317.349 1.717 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@H]1CN2CCC1CC2 ZINC001120480802 781973798 /nfs/dbraw/zinc/97/37/98/781973798.db2.gz DTEJDTVXYSJXLR-KBPBESRZSA-N 1 0 321.377 1.018 20 5 DDBDRO CNC(=O)[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000352426392 285042376 /nfs/dbraw/zinc/04/23/76/285042376.db2.gz UCGREUOOKJKWSW-LBPRGKRZSA-N 1 0 307.350 1.561 20 5 DDBDRO CC[N@H+](CCNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)C(C)C ZINC000352439580 285051352 /nfs/dbraw/zinc/05/13/52/285051352.db2.gz XMTSDQFYQNQWDC-UHFFFAOYSA-N 1 0 323.349 1.784 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CC=C(C(F)(F)F)CC2)c1 ZINC000270158591 208218251 /nfs/dbraw/zinc/21/82/51/208218251.db2.gz ICQMSCSCKCBVID-NSHDSACASA-N 1 0 320.271 1.347 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](CCO)CC1CC1 ZINC000352492352 285088842 /nfs/dbraw/zinc/08/88/42/285088842.db2.gz XFXNMFVJXCREFJ-UHFFFAOYSA-N 1 0 323.349 1.246 20 5 DDBDRO Cc1c(C(=O)N[C@@H](C[NH3+])C2CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000159211220 197336657 /nfs/dbraw/zinc/33/66/57/197336657.db2.gz RBHUEJAKNARHJT-NSHDSACASA-N 1 0 308.294 1.279 20 5 DDBDRO CCc1ccc(C(=O)N2CC[C@]3(CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000158342773 197264648 /nfs/dbraw/zinc/26/46/48/197264648.db2.gz ZFLUPUTWCUGMQX-INIZCTEOSA-N 1 0 303.362 1.983 20 5 DDBDRO Cc1nn(CCC(=O)N[C@H]2CCC[C@@H]2C[NH3+])c(C)c1[N+](=O)[O-] ZINC000158068767 197240885 /nfs/dbraw/zinc/24/08/85/197240885.db2.gz VWUXJDQZDKNSSU-NEPJUHHUSA-N 1 0 309.370 1.042 20 5 DDBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)[C@@H]1CCC[C@@H]1O ZINC000352659751 285204032 /nfs/dbraw/zinc/20/40/32/285204032.db2.gz LDZFEUSGPDYADK-HONMWMINSA-N 1 0 307.350 1.767 20 5 DDBDRO C[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@H]1CCC[C@H]1O ZINC000352660114 285204591 /nfs/dbraw/zinc/20/45/91/285204591.db2.gz MJJOEPKTTUQPIO-DZGCQCFKSA-N 1 0 319.361 1.329 20 5 DDBDRO C[N@H+](CCNC(=O)NCCNc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000352662458 285206113 /nfs/dbraw/zinc/20/61/13/285206113.db2.gz ACFKPKYRLCRANP-UHFFFAOYSA-N 1 0 321.381 1.400 20 5 DDBDRO CNC(=O)CCC[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000155242409 197035756 /nfs/dbraw/zinc/03/57/56/197035756.db2.gz QALOFRAAOAHGHO-UHFFFAOYSA-N 1 0 306.322 1.694 20 5 DDBDRO CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000289479414 221005440 /nfs/dbraw/zinc/00/54/40/221005440.db2.gz BRTYTJQVNWPLHX-DZGCQCFKSA-N 1 0 305.378 1.888 20 5 DDBDRO COC[C@@](C)(CC(=O)OC)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000428769659 285314817 /nfs/dbraw/zinc/31/48/17/285314817.db2.gz QTDKTVDUGCYEAQ-OAHLLOKOSA-N 1 0 310.350 1.695 20 5 DDBDRO COc1ccc(CNC(=O)[C@@H]2CC[NH2+][C@@H]2C(C)C)cc1[N+](=O)[O-] ZINC000289855102 221270606 /nfs/dbraw/zinc/27/06/06/221270606.db2.gz GBWDYVAKHBLVDO-IUODEOHRSA-N 1 0 321.377 1.854 20 5 DDBDRO CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000289925537 221322167 /nfs/dbraw/zinc/32/21/67/221322167.db2.gz KQRORCKXMZIGGW-NWDGAFQWSA-N 1 0 307.350 1.608 20 5 DDBDRO C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000414666860 224370115 /nfs/dbraw/zinc/37/01/15/224370115.db2.gz WYBHRPPZINGZNI-BXKDBHETSA-N 1 0 308.338 1.829 20 5 DDBDRO Cc1cc(NC(=O)N2CCCO[C@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000415419555 224575860 /nfs/dbraw/zinc/57/58/60/224575860.db2.gz QPJDXZNYAICPDF-GFCCVEGCSA-N 1 0 308.338 1.485 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@](C)(CO)C(C)C ZINC000352893057 285367228 /nfs/dbraw/zinc/36/72/28/285367228.db2.gz NNZINIIEZMEYJC-HNNXBMFYSA-N 1 0 309.366 1.838 20 5 DDBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Cn2cc([N+](=O)[O-])nc2C)[C@H](C)C1 ZINC000122321680 195434103 /nfs/dbraw/zinc/43/41/03/195434103.db2.gz QUFUXUDOBALSOL-YPMHNXCESA-N 1 0 323.397 1.288 20 5 DDBDRO C[C@@H]([NH2+][C@@H]1COCC1(C)C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000451807305 533527919 /nfs/dbraw/zinc/52/79/19/533527919.db2.gz GPHIZSWFNGDIKB-ZWNOBZJWSA-N 1 0 307.350 1.936 20 5 DDBDRO CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CC[NH2+]C1 ZINC000568392589 304290986 /nfs/dbraw/zinc/29/09/86/304290986.db2.gz LXNVLHVNJQKJBQ-SNVBAGLBSA-N 1 0 312.757 1.480 20 5 DDBDRO CON1CCC([NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000421866518 285535349 /nfs/dbraw/zinc/53/53/49/285535349.db2.gz AMWAAEDOSUMTDZ-UONOGXRCSA-N 1 0 323.397 1.890 20 5 DDBDRO CC[C@H]1[NH2+]CC[C@H]1C(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000353177803 285574015 /nfs/dbraw/zinc/57/40/15/285574015.db2.gz IKZFHIRUGWATOH-CHWSQXEVSA-N 1 0 307.350 1.608 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1CCCC(C)(C)C1 ZINC000568700184 304306394 /nfs/dbraw/zinc/30/63/94/304306394.db2.gz MHKPWOSIWYCFJV-UHFFFAOYSA-N 1 0 308.382 1.785 20 5 DDBDRO Cc1cc(NC(=O)CC[NH2+]CCc2ccccc2[N+](=O)[O-])no1 ZINC000579704365 422817351 /nfs/dbraw/zinc/81/73/51/422817351.db2.gz SKEASLAUJMONFU-UHFFFAOYSA-N 1 0 318.333 2.052 20 5 DDBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360565539 299691272 /nfs/dbraw/zinc/69/12/72/299691272.db2.gz VDSHMGHUJADGAH-MLGOLLRUSA-N 1 0 318.377 1.607 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1c2ccccc2C[C@@H]1C[NH3+] ZINC000569566548 304363778 /nfs/dbraw/zinc/36/37/78/304363778.db2.gz RFIXXALDNQVEEO-LLVKDONJSA-N 1 0 300.318 1.464 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC000068410433 406640394 /nfs/dbraw/zinc/64/03/94/406640394.db2.gz FAVJCNWSSKMZCU-LBPRGKRZSA-N 1 0 323.397 1.480 20 5 DDBDRO COc1ccc(C(=O)N2CC[C@@H]3CC[C@H](C2)[N@@H+]3C)cc1[N+](=O)[O-] ZINC000073996089 406899662 /nfs/dbraw/zinc/89/96/62/406899662.db2.gz DRDMZFMXXVAUEF-QWHCGFSZSA-N 1 0 319.361 1.912 20 5 DDBDRO CN(C1CC[NH2+]CC1)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000036300016 406978469 /nfs/dbraw/zinc/97/84/69/406978469.db2.gz QWNCEHCBUOVWCP-UHFFFAOYSA-N 1 0 313.379 1.108 20 5 DDBDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000078644202 407038541 /nfs/dbraw/zinc/03/85/41/407038541.db2.gz YCOCNYWGLCMUSA-CQSZACIVSA-N 1 0 322.365 1.827 20 5 DDBDRO C[C@@H]([NH2+]C[C@H](C)CS(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000180438395 306694854 /nfs/dbraw/zinc/69/48/54/306694854.db2.gz CLCDQUCPVLTIQT-WDEREUQCSA-N 1 0 300.380 1.926 20 5 DDBDRO Cc1nn(CCC(=O)NCC2CC[NH+](C)CC2)c(C)c1[N+](=O)[O-] ZINC000102356655 407322084 /nfs/dbraw/zinc/32/20/84/407322084.db2.gz IJRWESHQTXMGOK-UHFFFAOYSA-N 1 0 323.397 1.256 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123492972 407330203 /nfs/dbraw/zinc/33/02/03/407330203.db2.gz CFWJLSFMUFSWES-PWSUYJOCSA-N 1 0 309.370 1.041 20 5 DDBDRO C[NH+](C)[C@@H]1CCCN(C(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000067044585 407266396 /nfs/dbraw/zinc/26/63/96/407266396.db2.gz HUFPOGDJLPGIMA-CYBMUJFWSA-N 1 0 321.377 1.916 20 5 DDBDRO [NH3+][C@@H]1CCCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000122384741 407299250 /nfs/dbraw/zinc/29/92/50/407299250.db2.gz ADLZTHLQPXBABC-MRVPVSSYSA-N 1 0 319.770 1.360 20 5 DDBDRO C[C@@]1(O)CCC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000124481186 407359822 /nfs/dbraw/zinc/35/98/22/407359822.db2.gz DBZZVXKEZWXKQB-DZGCQCFKSA-N 1 0 310.350 1.181 20 5 DDBDRO CN(Cc1nccn1C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000124624260 407364403 /nfs/dbraw/zinc/36/44/03/407364403.db2.gz VJACJFALJALWKF-CYBMUJFWSA-N 1 0 320.349 1.200 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+](Cc2cccnc2)C2CC2)c1 ZINC000124704591 407367562 /nfs/dbraw/zinc/36/75/62/407367562.db2.gz DNSUTKAYVXEZRN-HNNXBMFYSA-N 1 0 317.349 1.212 20 5 DDBDRO O=C(Cn1ccc([N+](=O)[O-])n1)N1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000107628481 407376824 /nfs/dbraw/zinc/37/68/24/407376824.db2.gz NITPQRRINUPAJJ-CYBMUJFWSA-N 1 0 321.381 1.268 20 5 DDBDRO CC[N@@H+]1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000107890892 407381122 /nfs/dbraw/zinc/38/11/22/407381122.db2.gz MMEWSCYBWIFWLI-NSHDSACASA-N 1 0 307.350 1.675 20 5 DDBDRO COc1cc(C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000109066004 407394479 /nfs/dbraw/zinc/39/44/79/407394479.db2.gz DZZDZKZGGHNRDV-UWVGGRQHSA-N 1 0 323.349 1.434 20 5 DDBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)C[NH+]1CCCC1 ZINC000125790927 407398022 /nfs/dbraw/zinc/39/80/22/407398022.db2.gz PSERGQPIQXPYSG-SNVBAGLBSA-N 1 0 308.338 1.157 20 5 DDBDRO COc1cc(CN2CC[C@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])cc1OC ZINC000261692603 407581546 /nfs/dbraw/zinc/58/15/46/407581546.db2.gz AZDNQAFKTJTSDJ-INIZCTEOSA-N 1 0 321.377 1.797 20 5 DDBDRO CCN(C)C(=O)CC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000130055586 407650795 /nfs/dbraw/zinc/65/07/95/407650795.db2.gz BRFAQRBOQOYWIJ-UHFFFAOYSA-N 1 0 320.393 1.585 20 5 DDBDRO CC[NH+]1CCN([C@H]2CCN(c3cc(C)c([N+](=O)[O-])cn3)C2)CC1 ZINC000266849202 407652561 /nfs/dbraw/zinc/65/25/61/407652561.db2.gz QLNZZVLQAASNNO-AWEZNQCLSA-N 1 0 319.409 1.514 20 5 DDBDRO Cc1cc(C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)cc([N+](=O)[O-])c1 ZINC000261910885 407667222 /nfs/dbraw/zinc/66/72/22/407667222.db2.gz QFGNFSWFDFPDJF-CQSZACIVSA-N 1 0 318.377 1.023 20 5 DDBDRO C[C@@H]1CCCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H]1C[NH3+] ZINC000261915702 407668879 /nfs/dbraw/zinc/66/88/79/407668879.db2.gz GWQGCPYNBDTZJY-YGRLFVJLSA-N 1 0 306.366 1.253 20 5 DDBDRO C[NH2+]C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000178986261 407683183 /nfs/dbraw/zinc/68/31/83/407683183.db2.gz QXDRGYRDPSZGJS-SECBINFHSA-N 1 0 308.294 1.185 20 5 DDBDRO C[C@H](O)C[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000267000402 407710681 /nfs/dbraw/zinc/71/06/81/407710681.db2.gz CTIGMPOTJVZJGK-RYUDHWBXSA-N 1 0 311.357 1.621 20 5 DDBDRO CC(C)([NH3+])CNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000262182517 407759021 /nfs/dbraw/zinc/75/90/21/407759021.db2.gz LEBOZSNGOAQEIY-UHFFFAOYSA-N 1 0 303.322 1.248 20 5 DDBDRO Cc1nn(C)c(C(=O)NCC[C@@H](C)[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000182253949 306703400 /nfs/dbraw/zinc/70/34/00/306703400.db2.gz HHGXNGSLDXRDFX-LLVKDONJSA-N 1 0 323.397 1.631 20 5 DDBDRO COC[C@@]1(CNC(=O)c2cc(C)ccc2[N+](=O)[O-])CCC[NH2+]1 ZINC000262546787 407863032 /nfs/dbraw/zinc/86/30/32/407863032.db2.gz RVQHUILGWAETDJ-HNNXBMFYSA-N 1 0 307.350 1.402 20 5 DDBDRO O=C(CCNc1ccccc1[N+](=O)[O-])NCC[C@@H]1CCC[NH2+]C1 ZINC000238054564 407878551 /nfs/dbraw/zinc/87/85/51/407878551.db2.gz BRIBXFGYCRGZBN-ZDUSSCGKSA-N 1 0 320.393 1.903 20 5 DDBDRO CC[NH+](CC)CCCNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000179906533 407842821 /nfs/dbraw/zinc/84/28/21/407842821.db2.gz LDLUUROYSPIHEW-UHFFFAOYSA-N 1 0 323.349 1.785 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H]([C@@H](C)O)C1 ZINC000272527312 407965914 /nfs/dbraw/zinc/96/59/14/407965914.db2.gz IAQOFUNTCFSODX-CHWSQXEVSA-N 1 0 321.377 1.935 20 5 DDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[NH2+][C@@H](C)[C@H]1C ZINC000262741498 407915160 /nfs/dbraw/zinc/91/51/60/407915160.db2.gz CHQOIWJCQSWVSN-WDEREUQCSA-N 1 0 313.379 1.274 20 5 DDBDRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000262777571 407928280 /nfs/dbraw/zinc/92/82/80/407928280.db2.gz LYRIIFNATYTJLB-GXFFZTMASA-N 1 0 309.391 1.801 20 5 DDBDRO CC1CC[NH+](CC(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000134850012 407940170 /nfs/dbraw/zinc/94/01/70/407940170.db2.gz XPFHSYKZZPFASL-UHFFFAOYSA-N 1 0 305.378 1.985 20 5 DDBDRO C[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccc([S@@](C)=O)cc1 ZINC000273021379 408021586 /nfs/dbraw/zinc/02/15/86/408021586.db2.gz SDAHYZZNKSPAQE-KPWVOAKYSA-N 1 0 322.390 1.880 20 5 DDBDRO C[C@@]1(CNC(=O)COc2cccc([N+](=O)[O-])c2)CCC[NH2+]C1 ZINC000273026490 408023238 /nfs/dbraw/zinc/02/32/38/408023238.db2.gz RJJGIAKDBXPXCR-OAHLLOKOSA-N 1 0 307.350 1.480 20 5 DDBDRO CC(C)[C@@H]([NH3+])CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000269259243 408234974 /nfs/dbraw/zinc/23/49/74/408234974.db2.gz ITUDCCOPHGPRJB-LBPRGKRZSA-N 1 0 306.366 1.882 20 5 DDBDRO CC(C)[N@H+]1C[C@H](NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000158853369 408364769 /nfs/dbraw/zinc/36/47/69/408364769.db2.gz PRPHRYSDOXCDLX-AAEUAGOBSA-N 1 0 323.397 1.371 20 5 DDBDRO CCC[NH+]1CCC(N(C)C(=O)c2[nH]nc(C)c2[N+](=O)[O-])CC1 ZINC000264151135 408383018 /nfs/dbraw/zinc/38/30/18/408383018.db2.gz HXBWEUOCZOBLEF-UHFFFAOYSA-N 1 0 309.370 1.573 20 5 DDBDRO C[N@H+](CCNC(=O)COc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000264233223 408414770 /nfs/dbraw/zinc/41/47/70/408414770.db2.gz YJSXGPDWGRBQKU-UHFFFAOYSA-N 1 0 321.377 1.964 20 5 DDBDRO COCC[N@@H+]1CC[C@H](NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000264432112 408487331 /nfs/dbraw/zinc/48/73/31/408487331.db2.gz AUCYFVYQMMMMJI-LBPRGKRZSA-N 1 0 323.349 1.054 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](O)C[NH+]2CCCCC2)c1 ZINC000160555623 408494255 /nfs/dbraw/zinc/49/42/55/408494255.db2.gz TWRVFZJTUDOVHN-ZDUSSCGKSA-N 1 0 321.377 1.480 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N(C)CC2CC[NH+](C)CC2)n1 ZINC000191802749 408495877 /nfs/dbraw/zinc/49/58/77/408495877.db2.gz ZOHOWQYDZBPQOP-UHFFFAOYSA-N 1 0 309.370 1.225 20 5 DDBDRO Cc1ccc(C(=O)NCC2CC[NH+](CCO)CC2)cc1[N+](=O)[O-] ZINC000160676052 408511316 /nfs/dbraw/zinc/51/13/16/408511316.db2.gz ILJPPYLEQAWMKC-UHFFFAOYSA-N 1 0 321.377 1.337 20 5 DDBDRO COCC1(O)CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000270392898 408515276 /nfs/dbraw/zinc/51/52/76/408515276.db2.gz SWFAHANYISLZHM-UHFFFAOYSA-N 1 0 310.350 1.447 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCC(c2ncc[nH]2)CC1 ZINC000270477151 408544635 /nfs/dbraw/zinc/54/46/35/408544635.db2.gz DSXNXIPBRBYBQI-UHFFFAOYSA-N 1 0 317.349 1.359 20 5 DDBDRO CCOC[C@H]1CC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000248450127 408568470 /nfs/dbraw/zinc/56/84/70/408568470.db2.gz ILUOZQZLESQXEL-UONOGXRCSA-N 1 0 324.377 1.693 20 5 DDBDRO CC[N@@H+]1CCCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 ZINC000270594450 408595869 /nfs/dbraw/zinc/59/58/69/408595869.db2.gz YRQLOPYVVBJRBC-UHFFFAOYSA-N 1 0 320.393 1.875 20 5 DDBDRO COc1cc(N2CC[N@H+](C[C@H](C)O)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000248666711 408614218 /nfs/dbraw/zinc/61/42/18/408614218.db2.gz OHIPZHYPJABUSW-NEPJUHHUSA-N 1 0 309.366 1.495 20 5 DDBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000184458914 408622350 /nfs/dbraw/zinc/62/23/50/408622350.db2.gz QZKNUEHXTUHXSL-SNVBAGLBSA-N 1 0 307.354 1.176 20 5 DDBDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000177457927 408624618 /nfs/dbraw/zinc/62/46/18/408624618.db2.gz KPFZTRZEKRSGDB-QWRGUYRKSA-N 1 0 306.366 1.780 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000192777578 408647662 /nfs/dbraw/zinc/64/76/62/408647662.db2.gz JEGQJXVINRUCSG-LLVKDONJSA-N 1 0 306.366 1.902 20 5 DDBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000270761446 408669525 /nfs/dbraw/zinc/66/95/25/408669525.db2.gz MTKAFFZOLWEBHW-QWRGUYRKSA-N 1 0 309.370 1.179 20 5 DDBDRO C[C@H](CNC(=O)c1nn(C)cc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000270847509 408707058 /nfs/dbraw/zinc/70/70/58/408707058.db2.gz XENUILWEIIWGMG-LLVKDONJSA-N 1 0 309.370 1.179 20 5 DDBDRO C[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CC[C@H](O)CC1 ZINC000275905572 408715520 /nfs/dbraw/zinc/71/55/20/408715520.db2.gz SOEQNLYZTVVHCH-QEJZJMRPSA-N 1 0 324.377 1.570 20 5 DDBDRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)CCOc3ccccc3[N+](=O)[O-])C[C@@H]12 ZINC000184948907 408722923 /nfs/dbraw/zinc/72/29/23/408722923.db2.gz XMQUSZXBTXSXTH-JHJVBQTASA-N 1 0 319.361 1.559 20 5 DDBDRO COc1ccc(C(=O)N2C[C@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1[N+](=O)[O-] ZINC000185026682 408739486 /nfs/dbraw/zinc/73/94/86/408739486.db2.gz HQHBULNYJIEYDB-IJLUTSLNSA-N 1 0 305.334 1.413 20 5 DDBDRO Nc1c(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000178174432 408783181 /nfs/dbraw/zinc/78/31/81/408783181.db2.gz KTRYHNZXIQNUHN-JTQLQIEISA-N 1 0 304.350 1.391 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000164563995 408801115 /nfs/dbraw/zinc/80/11/15/408801115.db2.gz DWCUXHPOLMRTLQ-CHWSQXEVSA-N 1 0 321.381 1.042 20 5 DDBDRO C[C@H]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000253182792 408810597 /nfs/dbraw/zinc/81/05/97/408810597.db2.gz GDOXYHFJIFJLGZ-WDEREUQCSA-N 1 0 313.379 1.200 20 5 DDBDRO C[NH+](C)C1(CNC(=O)COc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000276007707 408747931 /nfs/dbraw/zinc/74/79/31/408747931.db2.gz PLSQOVQNZIQXQQ-UHFFFAOYSA-N 1 0 307.350 1.574 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C)[C@H]1CCOC1 ZINC000163082248 408760098 /nfs/dbraw/zinc/76/00/98/408760098.db2.gz ZZURGYUHBOKZDX-NEPJUHHUSA-N 1 0 307.350 1.856 20 5 DDBDRO Nc1c(C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc(F)cc1[N+](=O)[O-] ZINC000185148663 408769302 /nfs/dbraw/zinc/76/93/02/408769302.db2.gz LZJPOPJNFNXNNE-XROYCOCOSA-N 1 0 308.313 1.125 20 5 DDBDRO CCc1n[nH]c(C(=O)N(C)CC2([NH+](C)C)CCC2)c1[N+](=O)[O-] ZINC000276130358 408822427 /nfs/dbraw/zinc/82/24/27/408822427.db2.gz ZXISGEUAZHTCGY-UHFFFAOYSA-N 1 0 309.370 1.437 20 5 DDBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3N)[C@@H]2C1 ZINC000276337654 408838975 /nfs/dbraw/zinc/83/89/75/408838975.db2.gz HOPWYXVSVWSKNP-IINYFYTJSA-N 1 0 304.350 1.343 20 5 DDBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000285999979 408904947 /nfs/dbraw/zinc/90/49/47/408904947.db2.gz IQXKSOBOAOSTHP-JRPNMDOOSA-N 1 0 306.366 1.509 20 5 DDBDRO CC[N@H+](C)CCNC(=O)CCOc1cc(C)ccc1[N+](=O)[O-] ZINC000281695391 408911435 /nfs/dbraw/zinc/91/14/35/408911435.db2.gz VQLAJFMEKIPYKF-UHFFFAOYSA-N 1 0 309.366 1.740 20 5 DDBDRO CN(CCC[NH+]1CCCC1)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000281783773 408928610 /nfs/dbraw/zinc/92/86/10/408928610.db2.gz RSRGUVLEIXKVOG-UHFFFAOYSA-N 1 0 321.377 1.918 20 5 DDBDRO CCOc1ccc(C(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC000236903148 163366317 /nfs/dbraw/zinc/36/63/17/163366317.db2.gz SZCLCAYXTZHWTQ-GHMZBOCLSA-N 1 0 307.350 1.816 20 5 DDBDRO C[NH2+]C[C@@H](C)CNC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000237326596 163376002 /nfs/dbraw/zinc/37/60/02/163376002.db2.gz TVDTXQUJIKXNSW-SECBINFHSA-N 1 0 311.338 1.197 20 5 DDBDRO CC(=O)c1cc(NC[C@@H]2CN(C)CCN2C)ccc1[N+](=O)[O-] ZINC000287520507 409049097 /nfs/dbraw/zinc/04/90/97/409049097.db2.gz VFWMDQAQLAUZGM-CYBMUJFWSA-N 1 0 306.366 1.455 20 5 DDBDRO CC(C)(CO)[C@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000293143482 409057513 /nfs/dbraw/zinc/05/75/13/409057513.db2.gz TVVKBJPDPABXRG-OAHLLOKOSA-N 1 0 321.377 1.920 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@@](C)(C[NH3+])C1 ZINC000261663094 163680464 /nfs/dbraw/zinc/68/04/64/163680464.db2.gz IKEFGWDZGAOUTI-HNNXBMFYSA-N 1 0 306.366 1.512 20 5 DDBDRO COc1ccc(CNC(=O)[C@H]2CC[NH2+][C@@H](C)C2)cc1[N+](=O)[O-] ZINC000279830944 409249119 /nfs/dbraw/zinc/24/91/19/409249119.db2.gz FEJWMQVXCGLVPD-JQWIXIFHSA-N 1 0 307.350 1.608 20 5 DDBDRO Cc1cc(C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)c(N)c([N+](=O)[O-])c1 ZINC000289366059 409254880 /nfs/dbraw/zinc/25/48/80/409254880.db2.gz ZTOQVCAGCXSRAN-HAQNSBGRSA-N 1 0 320.393 1.980 20 5 DDBDRO COC(=O)c1cnc(NCCN2CC=CCC2)c([N+](=O)[O-])c1 ZINC000280167580 409261995 /nfs/dbraw/zinc/26/19/95/409261995.db2.gz GXCXRLFHUDYHAO-UHFFFAOYSA-N 1 0 306.322 1.450 20 5 DDBDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)CC2 ZINC000284108255 409277067 /nfs/dbraw/zinc/27/70/67/409277067.db2.gz NFLCIBYGDZCHFD-SKDRFNHKSA-N 1 0 316.365 1.743 20 5 DDBDRO C[C@@H]([NH2+]CCCS(C)(=O)=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284980600 409389003 /nfs/dbraw/zinc/38/90/03/409389003.db2.gz GDEVYLMHVNGOFL-SECBINFHSA-N 1 0 301.368 1.262 20 5 DDBDRO CS[C@H]1CN(c2ncc([N+](=O)[O-])c(C)n2)C[C@H]1[NH+]1CCCC1 ZINC000295117241 409330557 /nfs/dbraw/zinc/33/05/57/409330557.db2.gz WGFDHTBDAIMQEO-OLZOCXBDSA-N 1 0 323.422 1.709 20 5 DDBDRO Cc1cc(N[C@@H]2COC[C@H]2O)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000296123068 409437388 /nfs/dbraw/zinc/43/73/88/409437388.db2.gz WCASESNXOBLCAF-CHWSQXEVSA-N 1 0 316.317 1.532 20 5 DDBDRO C[N@@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])n[nH]2)[C@@H]1c1ccccc1 ZINC000285492502 409466920 /nfs/dbraw/zinc/46/69/20/409466920.db2.gz AMVVQRPHEXNCQG-RISCZKNCSA-N 1 0 315.333 1.493 20 5 DDBDRO COc1cccc([C@@H](C)[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000322156804 164046152 /nfs/dbraw/zinc/04/61/52/164046152.db2.gz IWVYPYURAVWQPT-RISCZKNCSA-N 1 0 320.349 1.512 20 5 DDBDRO Cn1c(C(=O)N(CCC[NH3+])CC2CCCC2)ccc1[N+](=O)[O-] ZINC000357381619 164140745 /nfs/dbraw/zinc/14/07/45/164140745.db2.gz SRTNTDWREDFIBJ-UHFFFAOYSA-N 1 0 308.382 1.915 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@H](C)C[NH+](C)C)c1C ZINC000344939028 409568863 /nfs/dbraw/zinc/56/88/63/409568863.db2.gz MQNGNRKTJZTXHR-SNVBAGLBSA-N 1 0 315.395 1.440 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCC2([NH3+])CCC2)c1C ZINC000342532221 409702448 /nfs/dbraw/zinc/70/24/48/409702448.db2.gz UPGMGFBSLWVJRE-UHFFFAOYSA-N 1 0 313.379 1.371 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[N@@H+](C)[C@H](C)[C@@H]1C ZINC000356897304 409703713 /nfs/dbraw/zinc/70/37/13/409703713.db2.gz ZNHDCVPMNGTDII-MNOVXSKESA-N 1 0 309.370 1.041 20 5 DDBDRO C[C@@H]1[C@H](C)N(C(=O)COc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000356853674 409664957 /nfs/dbraw/zinc/66/49/57/409664957.db2.gz OCQLLPAPJFTRSG-NEPJUHHUSA-N 1 0 307.350 1.525 20 5 DDBDRO C[C@@H]([NH3+])C[C@@H](C)Nc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000320314221 409902791 /nfs/dbraw/zinc/90/27/91/409902791.db2.gz KGAGXQLINUQDQH-RKDXNWHRSA-N 1 0 301.368 1.536 20 5 DDBDRO C[C@@H](CNc1nccc(C(N)=O)c1[N+](=O)[O-])[N@@H+]1CCCC[C@@H]1C ZINC000357308675 409966539 /nfs/dbraw/zinc/96/65/39/409966539.db2.gz WQTOKLLVZUTBRL-QWRGUYRKSA-N 1 0 321.381 1.764 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000332222860 409991479 /nfs/dbraw/zinc/99/14/79/409991479.db2.gz MFJAQAYMMKBIQS-RYUDHWBXSA-N 1 0 304.350 1.976 20 5 DDBDRO COc1ccc(C[NH2+][C@@H]2CCC(=O)NC2(C)C)cc1[N+](=O)[O-] ZINC000338476110 410015774 /nfs/dbraw/zinc/01/57/74/410015774.db2.gz GDMFUKWQWRDUJB-CYBMUJFWSA-N 1 0 307.350 1.750 20 5 DDBDRO C[NH+](C)C1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000332270082 410029956 /nfs/dbraw/zinc/02/99/56/410029956.db2.gz VAAVAGARJJBCLV-UHFFFAOYSA-N 1 0 303.366 1.997 20 5 DDBDRO COc1cc(C[NH2+]CCc2ccn(C)n2)c([N+](=O)[O-])cc1O ZINC000354658129 409998748 /nfs/dbraw/zinc/99/87/48/409998748.db2.gz RUSKEACTIYPWNG-UHFFFAOYSA-N 1 0 306.322 1.375 20 5 DDBDRO Cc1c(NC(=O)CC[N@@H+]2CCC[C@H](CO)C2)cccc1[N+](=O)[O-] ZINC000298105662 410117665 /nfs/dbraw/zinc/11/76/65/410117665.db2.gz NRCMVBYGIWJKPK-ZDUSSCGKSA-N 1 0 321.377 1.936 20 5 DDBDRO C[C@H](C[NH+]1CCCCC1)Nc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000298464497 410242516 /nfs/dbraw/zinc/24/25/16/410242516.db2.gz MYVWVQBHOZLPJL-LLVKDONJSA-N 1 0 306.366 1.980 20 5 DDBDRO COC(=O)[C@H]1CCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000298777749 410393944 /nfs/dbraw/zinc/39/39/44/410393944.db2.gz DIIBZXMFQSDFJR-MNOVXSKESA-N 1 0 321.333 1.417 20 5 DDBDRO CCC[NH+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000358398785 410460768 /nfs/dbraw/zinc/46/07/68/410460768.db2.gz SRMVOROGTWEDHV-UHFFFAOYSA-N 1 0 309.341 1.831 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[N@H+](C)[C@@H]2C)c1 ZINC000343511886 410502360 /nfs/dbraw/zinc/50/23/60/410502360.db2.gz JGHXPOMPNDTBTQ-MFKMUULPSA-N 1 0 307.350 1.816 20 5 DDBDRO CC[N@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)C[C@H](C)O ZINC000352188386 410534451 /nfs/dbraw/zinc/53/44/51/410534451.db2.gz YJVZYJUWKHEQOF-NSHDSACASA-N 1 0 323.349 1.596 20 5 DDBDRO Cc1nn(C)c(C(=O)N(C)C2CC[NH+](C(C)C)CC2)c1[N+](=O)[O-] ZINC000299179497 410558663 /nfs/dbraw/zinc/55/86/63/410558663.db2.gz ZYWCZZQAYBMJIR-UHFFFAOYSA-N 1 0 323.397 1.582 20 5 DDBDRO COc1ccc(CNC(=O)N(C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000355981339 410760166 /nfs/dbraw/zinc/76/01/66/410760166.db2.gz GLRRYBSZNNVIFF-UHFFFAOYSA-N 1 0 310.354 1.306 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@H]2CCCC[C@H]2OC(F)F)c1 ZINC000337405673 410761879 /nfs/dbraw/zinc/76/18/79/410761879.db2.gz LRZPTENFRDZEAF-GHMZBOCLSA-N 1 0 304.297 1.931 20 5 DDBDRO COc1ccc(CNC(=O)NCC[NH+]2CCC2)cc1[N+](=O)[O-] ZINC000337420463 410770079 /nfs/dbraw/zinc/77/00/79/410770079.db2.gz QTGPNQNQOJAKBU-UHFFFAOYSA-N 1 0 308.338 1.108 20 5 DDBDRO CCO[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000353128940 410800480 /nfs/dbraw/zinc/80/04/80/410800480.db2.gz LZJUUXQXAOOKLS-IUODEOHRSA-N 1 0 310.350 1.887 20 5 DDBDRO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCC[NH+]1CCC1 ZINC000340301980 410837189 /nfs/dbraw/zinc/83/71/89/410837189.db2.gz JAMOGBVOMGVFCI-UHFFFAOYSA-N 1 0 302.334 1.441 20 5 DDBDRO CC(C)[C@H](CO)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000359787158 410880253 /nfs/dbraw/zinc/88/02/53/410880253.db2.gz CXFDYAXIACACIB-LBPRGKRZSA-N 1 0 315.757 1.793 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000344068251 410935661 /nfs/dbraw/zinc/93/56/61/410935661.db2.gz QIRRRIFZUGCELZ-KYEXWDHISA-N 1 0 322.361 1.037 20 5 DDBDRO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@H](O)C(F)(F)F)CC2)n1 ZINC000331112470 410954159 /nfs/dbraw/zinc/95/41/59/410954159.db2.gz CEUQAMRXQIPPFN-VIFPVBQESA-N 1 0 308.260 1.351 20 5 DDBDRO C[C@@H]1C[C@H](CO)CC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000344117201 410966370 /nfs/dbraw/zinc/96/63/70/410966370.db2.gz BLLUILYXXDOUDF-NFAWXSAZSA-N 1 0 324.377 1.427 20 5 DDBDRO CC1CC[NH+](CC2CCN(C(=O)[C@@H]3C[C@@H]3[N+](=O)[O-])CC2)CC1 ZINC000360108657 411051241 /nfs/dbraw/zinc/05/12/41/411051241.db2.gz XYHZISKHQJGHOX-CABCVRRESA-N 1 0 309.410 1.622 20 5 DDBDRO COc1ccc(OCCN2CC[N@H+](C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000331279234 411053823 /nfs/dbraw/zinc/05/38/23/411053823.db2.gz SRXRHTHBRZYIOX-GFCCVEGCSA-N 1 0 309.366 1.618 20 5 DDBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H](O)C(F)F ZINC000341378144 411031204 /nfs/dbraw/zinc/03/12/04/411031204.db2.gz ZXQFLXCTMANMRG-LDYMZIIASA-N 1 0 317.292 1.528 20 5 DDBDRO O=[N+]([O-])c1cc(CN2CC[C@@H](C[NH+]3CCOCC3)C2)cs1 ZINC000129480428 196051992 /nfs/dbraw/zinc/05/19/92/196051992.db2.gz NAXQNTKGOAVSGW-LBPRGKRZSA-N 1 0 311.407 1.810 20 5 DDBDRO C[NH+](C)CCNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000130826099 196113045 /nfs/dbraw/zinc/11/30/45/196113045.db2.gz MKIOCEZAJQZMJP-UHFFFAOYSA-N 1 0 316.155 1.649 20 5 DDBDRO CC(=O)N1CC([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000580724331 422950855 /nfs/dbraw/zinc/95/08/55/422950855.db2.gz CLLFOUUKVBGAGW-HNNXBMFYSA-N 1 0 303.362 1.736 20 5 DDBDRO CCOC(=O)c1ccnc(NCC2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000133882361 196342542 /nfs/dbraw/zinc/34/25/42/196342542.db2.gz SSQVJOIUWFTGKM-UHFFFAOYSA-N 1 0 322.365 1.920 20 5 DDBDRO C[C@H](NC(=O)NCC12CC(C1)C[NH2+]2)c1ccc([N+](=O)[O-])cc1 ZINC001120561655 782022961 /nfs/dbraw/zinc/02/29/61/782022961.db2.gz QWMHEQGQKLWNRJ-NLTNOIMHSA-N 1 0 304.350 1.707 20 5 DDBDRO COC[C@@]1(C)CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000296640435 226077049 /nfs/dbraw/zinc/07/70/49/226077049.db2.gz IHGSEAOATIQFKW-HNNXBMFYSA-N 1 0 307.350 1.552 20 5 DDBDRO O=C([C@H]1C[C@@H]1[N+](=O)[O-])N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000373933509 418474830 /nfs/dbraw/zinc/47/48/30/418474830.db2.gz MPPRPDAPADBXQF-GJZGRUSLSA-N 1 0 303.362 1.386 20 5 DDBDRO COc1cccc(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000192498476 418524261 /nfs/dbraw/zinc/52/42/61/418524261.db2.gz RAYPNUNWYODWPH-LBPRGKRZSA-N 1 0 319.361 1.914 20 5 DDBDRO C[C@H]([NH3+])CNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000194891778 418550804 /nfs/dbraw/zinc/55/08/04/418550804.db2.gz NUUYOBZZOJUTJE-LURJTMIESA-N 1 0 302.128 1.434 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000374647262 418551230 /nfs/dbraw/zinc/55/12/30/418551230.db2.gz TUKUTNPNBPZKCB-ZLKJLUDKSA-N 1 0 319.361 1.803 20 5 DDBDRO CCn1c(C)nc([N+](=O)[O-])c1NCCCC[NH+]1CCOCC1 ZINC000360959134 418554302 /nfs/dbraw/zinc/55/43/02/418554302.db2.gz FWUTZFZGALBGQP-UHFFFAOYSA-N 1 0 311.386 1.644 20 5 DDBDRO Cc1cnc(N2CCC(OCC[NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000361274420 299832947 /nfs/dbraw/zinc/83/29/47/299832947.db2.gz XQYYUGUKGQIQGC-UHFFFAOYSA-N 1 0 308.382 1.845 20 5 DDBDRO Cc1nc([N+](=O)[O-])c(-c2noc([C@@H]3C[N@@H+](C)C[C@H]3C)n2)n1C ZINC000361248776 418611730 /nfs/dbraw/zinc/61/17/30/418611730.db2.gz CXVDLPKPCNYPOU-VXNVDRBHSA-N 1 0 306.326 1.352 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCc2ccc(F)cc2)c1 ZINC000386847473 418741069 /nfs/dbraw/zinc/74/10/69/418741069.db2.gz XKMLLMNBYSCAPB-AWEZNQCLSA-N 1 0 308.313 1.124 20 5 DDBDRO C[N@@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])cn2)[C@@H]1c1cccnc1 ZINC000370308931 418742435 /nfs/dbraw/zinc/74/24/35/418742435.db2.gz QJBNFLMFWHVIBF-BBRMVZONSA-N 1 0 313.361 2.490 20 5 DDBDRO C[C@@H](CCc1ccccc1)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000390883247 418756365 /nfs/dbraw/zinc/75/63/65/418756365.db2.gz VLXKJZOLQGSXAN-XJKSGUPXSA-N 1 0 318.377 1.763 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)Nc2cc(C)cc(C[NH3+])c2)n1 ZINC000424234890 228249433 /nfs/dbraw/zinc/24/94/33/228249433.db2.gz HLKMQGSIRBMERJ-UHFFFAOYSA-N 1 0 303.322 1.831 20 5 DDBDRO Cc1c(CNC(=O)N[C@@H]2CCCC[C@H]2[NH3+])cccc1[N+](=O)[O-] ZINC000424467454 228278803 /nfs/dbraw/zinc/27/88/03/228278803.db2.gz WAKOWTBSWLDCEZ-CHWSQXEVSA-N 1 0 306.366 1.972 20 5 DDBDRO CCCN(C(=O)NCCc1cccc([N+](=O)[O-])c1)[C@@H]1CC[NH2+]C1 ZINC000417943189 419408318 /nfs/dbraw/zinc/40/83/18/419408318.db2.gz OLKCILBMQWLWGA-OAHLLOKOSA-N 1 0 320.393 1.921 20 5 DDBDRO CC(=O)N[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000420961018 419387543 /nfs/dbraw/zinc/38/75/43/419387543.db2.gz SCKCXUKQBYWHBT-LBPRGKRZSA-N 1 0 320.349 1.134 20 5 DDBDRO COc1cc(CN2CC[N@H+](CCO)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000426484130 419480679 /nfs/dbraw/zinc/48/06/79/419480679.db2.gz KZIDLFIZJLALFQ-LBPRGKRZSA-N 1 0 309.366 1.102 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](C(=O)N(C)C)C1 ZINC000411943426 419515712 /nfs/dbraw/zinc/51/57/12/419515712.db2.gz QOZXWQUDZGHPBC-NSHDSACASA-N 1 0 307.350 1.514 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)NCC[N@H+]2CC=C(C)CC2)n1 ZINC000427689845 419715726 /nfs/dbraw/zinc/71/57/26/419715726.db2.gz QZBFCCOBYZHWSJ-UHFFFAOYSA-N 1 0 307.354 1.193 20 5 DDBDRO CC(C)(NC(=O)NC[C@H]1CCC[NH2+]1)c1ccccc1[N+](=O)[O-] ZINC000418382322 419760916 /nfs/dbraw/zinc/76/09/16/419760916.db2.gz YNTQSOBRIVQVNV-LLVKDONJSA-N 1 0 306.366 1.881 20 5 DDBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000422018759 419808637 /nfs/dbraw/zinc/80/86/37/419808637.db2.gz JMNGYKSFCSONKP-LBPRGKRZSA-N 1 0 306.366 1.559 20 5 DDBDRO O=C(NCC1C[NH2+]C1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000418488800 419830389 /nfs/dbraw/zinc/83/03/89/419830389.db2.gz NJJBVWVGFPMKLS-AWEZNQCLSA-N 1 0 318.377 1.703 20 5 DDBDRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000418588949 419890390 /nfs/dbraw/zinc/89/03/90/419890390.db2.gz IIHJHNIZPDYVKW-JSGCOSHPSA-N 1 0 320.393 1.777 20 5 DDBDRO CC[C@@H]([NH3+])CNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000414976593 419902409 /nfs/dbraw/zinc/90/24/09/419902409.db2.gz IHWSBXLZWGOZNW-CYBMUJFWSA-N 1 0 303.366 1.822 20 5 DDBDRO Cn1ccnc1[C@@H](NC[C@@H]1CCC[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC000423234575 419993000 /nfs/dbraw/zinc/99/30/00/419993000.db2.gz LZFSVUJJGNJKJC-ZFWWWQNUSA-N 1 0 315.377 1.759 20 5 DDBDRO COc1ccc(NC(=O)N[C@H]2C[NH2+]CC[C@H]2C)cc1[N+](=O)[O-] ZINC000415431070 420062999 /nfs/dbraw/zinc/06/29/99/420062999.db2.gz DJMKPGMSTZXPPG-KOLCDFICSA-N 1 0 308.338 1.723 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NCC[C@H]1CC[NH2+]C1 ZINC000415509585 420094470 /nfs/dbraw/zinc/09/44/70/420094470.db2.gz WVULDBJRHXFOCN-SNVBAGLBSA-N 1 0 308.338 1.725 20 5 DDBDRO COc1cccc(C(=O)N2CCC3(CC[NH2+]C3)CC2)c1[N+](=O)[O-] ZINC000423674817 420122198 /nfs/dbraw/zinc/12/21/98/420122198.db2.gz HXEAFNIPSCMWJA-UHFFFAOYSA-N 1 0 319.361 1.819 20 5 DDBDRO COC(=O)c1cc(NC(=O)N[C@H](C)C[NH3+])c(C)c([N+](=O)[O-])c1 ZINC000415602056 420122392 /nfs/dbraw/zinc/12/23/92/420122392.db2.gz QSEUADRGZYRVLY-SSDOTTSWSA-N 1 0 310.310 1.159 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCCC[C@@H]1C(N)=O ZINC000430216878 420092655 /nfs/dbraw/zinc/09/26/55/420092655.db2.gz JKIWCDLJTOVJQE-STQMWFEESA-N 1 0 307.350 1.737 20 5 DDBDRO O=C(CCN(C1CC1)[C@H]1CC[NH2+]C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000420325407 420210106 /nfs/dbraw/zinc/21/01/06/420210106.db2.gz WDJHCQSQIQCRSY-HNNXBMFYSA-N 1 0 318.377 1.750 20 5 DDBDRO COc1ccc(OCCN2C[C@H](C)[NH2+][C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000430931413 420213380 /nfs/dbraw/zinc/21/33/80/420213380.db2.gz CSRIPMNEPDYNFJ-RYUDHWBXSA-N 1 0 309.366 1.664 20 5 DDBDRO CN(C(=O)CN1CC[NH2+]C[C@@](C)(F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000420330002 420214163 /nfs/dbraw/zinc/21/41/63/420214163.db2.gz KVDGYCIDYCEKMD-OAHLLOKOSA-N 1 0 324.356 1.191 20 5 DDBDRO CC(C)[C@@H](C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1)[C@@H](C)[NH3+] ZINC000423833019 420215056 /nfs/dbraw/zinc/21/50/56/420215056.db2.gz ZJDBCFZFCDUPIE-QMTHXVAHSA-N 1 0 306.366 1.494 20 5 DDBDRO CC1(C)CCC[NH2+][C@@H]1CNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000420247219 420168314 /nfs/dbraw/zinc/16/83/14/420168314.db2.gz UFQRWYIPQHTZLA-SNVBAGLBSA-N 1 0 307.354 1.279 20 5 DDBDRO CN(C(=O)CN1CCC[C@H]2C[NH2+]C[C@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000420342008 420223146 /nfs/dbraw/zinc/22/31/46/420223146.db2.gz PFYZBUJRGQYGPC-SWLSCSKDSA-N 1 0 318.377 1.241 20 5 DDBDRO C[NH2+]C1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000430968826 420228864 /nfs/dbraw/zinc/22/88/64/420228864.db2.gz XNXRCGUVLZWKDY-UHFFFAOYSA-N 1 0 320.393 1.916 20 5 DDBDRO CC1(C)C[NH2+]CC[C@H]1NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000420359619 420233528 /nfs/dbraw/zinc/23/35/28/420233528.db2.gz GFEOJMCCGGLOQI-CYBMUJFWSA-N 1 0 306.366 1.511 20 5 DDBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420369066 420242034 /nfs/dbraw/zinc/24/20/34/420242034.db2.gz BJCKKAYQLJGNOG-JHJVBQTASA-N 1 0 320.393 1.839 20 5 DDBDRO CCOc1ccc(NC(=O)CN(C)CCC[NH2+]C)c([N+](=O)[O-])c1 ZINC000420390795 420257543 /nfs/dbraw/zinc/25/75/43/420257543.db2.gz QVLDLFUQBFBRHR-UHFFFAOYSA-N 1 0 324.381 1.473 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)[C@H]1CCC[NH2+]CC1 ZINC000435621902 420268075 /nfs/dbraw/zinc/26/80/75/420268075.db2.gz OUTFQXGUJBPBNE-ZDUSSCGKSA-N 1 0 320.393 1.916 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC[C@@H]2CCC[NH2+]2)c1 ZINC000420426507 420278514 /nfs/dbraw/zinc/27/85/14/420278514.db2.gz WACYFNPIYYPEHN-NSHDSACASA-N 1 0 313.379 1.242 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NCCCC[NH3+])c1 ZINC000420428199 420280065 /nfs/dbraw/zinc/28/00/65/420280065.db2.gz SKUJBEXVSUFZLX-UHFFFAOYSA-N 1 0 301.368 1.229 20 5 DDBDRO COC(=O)c1cc(C(=O)N[C@@H](C[NH3+])C(C)(C)C)cc([N+](=O)[O-])c1 ZINC000423962799 420286071 /nfs/dbraw/zinc/28/60/71/420286071.db2.gz VHRZQKOZUKZOKS-LBPRGKRZSA-N 1 0 323.349 1.485 20 5 DDBDRO C[NH2+]Cc1cccc(NC(=O)NCCn2cc([N+](=O)[O-])cn2)c1 ZINC000415942066 420219591 /nfs/dbraw/zinc/21/95/91/420219591.db2.gz ILBXOPZKZHXXQD-UHFFFAOYSA-N 1 0 318.337 1.332 20 5 DDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000430948662 420219632 /nfs/dbraw/zinc/21/96/32/420219632.db2.gz KVJXABQFMLJCTF-IJLUTSLNSA-N 1 0 306.366 1.604 20 5 DDBDRO COc1ccc(OCCN2CC[NH2+][C@@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000436063062 420305548 /nfs/dbraw/zinc/30/55/48/420305548.db2.gz STYGGAGQMKUMDL-NWDGAFQWSA-N 1 0 309.366 1.664 20 5 DDBDRO COc1ccc(OCCN2CC[NH2+][C@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000436063059 420306304 /nfs/dbraw/zinc/30/63/04/420306304.db2.gz STYGGAGQMKUMDL-NEPJUHHUSA-N 1 0 309.366 1.664 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H](CO)C(C)(C)C ZINC000444687273 230121169 /nfs/dbraw/zinc/12/11/69/230121169.db2.gz GDAVPVPEBRBFRG-GFCCVEGCSA-N 1 0 309.366 1.838 20 5 DDBDRO Cc1cc(N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000302487351 230264950 /nfs/dbraw/zinc/26/49/50/230264950.db2.gz IVJGABCLFKNWML-GFCCVEGCSA-N 1 0 308.382 1.580 20 5 DDBDRO CC(C)c1ccc(C(=O)NC[C@]2(O)CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000439715100 420532939 /nfs/dbraw/zinc/53/29/39/420532939.db2.gz DDFKINXTFFLAEJ-MRXNPFEDSA-N 1 0 321.377 1.515 20 5 DDBDRO CCOc1cc(N2CC[NH+](CC[C@H](C)O)CC2)ccc1[N+](=O)[O-] ZINC000450895468 420552305 /nfs/dbraw/zinc/55/23/05/420552305.db2.gz XUYZATGGLJJEOG-ZDUSSCGKSA-N 1 0 323.393 1.886 20 5 DDBDRO CC[NH+]1CCN(CC(C)(C)NC(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000456908927 420567131 /nfs/dbraw/zinc/56/71/31/420567131.db2.gz XPUDLABNOIAXJB-UHFFFAOYSA-N 1 0 323.397 1.069 20 5 DDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N(C2CC2)[C@H]2CC[NH2+]C2)cc1 ZINC000440431108 420575529 /nfs/dbraw/zinc/57/55/29/420575529.db2.gz HDXVUSLLOGSOLS-LBPRGKRZSA-N 1 0 311.363 1.110 20 5 DDBDRO C[C@H]1C[C@@H](C[NH3+])CN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000442767552 420711364 /nfs/dbraw/zinc/71/13/64/420711364.db2.gz RDEUJZQRJZFPCM-RYUDHWBXSA-N 1 0 306.366 1.227 20 5 DDBDRO COc1cc(C[NH2+]C[C@@]2(C)CCC(=O)N2)c([N+](=O)[O-])cc1OC ZINC000453591993 420733501 /nfs/dbraw/zinc/73/35/01/420733501.db2.gz SCPIEEUPXKWYOX-OAHLLOKOSA-N 1 0 323.349 1.370 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)/C=C\c3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000493186308 420780543 /nfs/dbraw/zinc/78/05/43/420780543.db2.gz GYTLTOQBZAIMRF-YTELKSAQSA-N 1 0 301.346 1.771 20 5 DDBDRO CC(C)c1ccc(C[NH2+]C[C@H](O)Cn2ccnn2)cc1[N+](=O)[O-] ZINC000459690446 420846640 /nfs/dbraw/zinc/84/66/40/420846640.db2.gz FIURRWPUDHMGMG-ZDUSSCGKSA-N 1 0 319.365 1.460 20 5 DDBDRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)Nc1ccc([N+](=O)[O-])cc1 ZINC000454276410 420828457 /nfs/dbraw/zinc/82/84/57/420828457.db2.gz ORRBBUICXQUKKD-AWEZNQCLSA-N 1 0 322.365 1.563 20 5 DDBDRO C[C@@H]1CN(CCO)CCN1C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000493392995 420836450 /nfs/dbraw/zinc/83/64/50/420836450.db2.gz RGDQNIDBGATEGH-LLPBQKLSSA-N 1 0 319.361 1.133 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+]C1(CO)CCSCC1 ZINC000459704147 420850757 /nfs/dbraw/zinc/85/07/57/420850757.db2.gz SYJLPZDNSWLKRJ-UHFFFAOYSA-N 1 0 312.391 1.951 20 5 DDBDRO O=C(/C=C/c1ccccc1[N+](=O)[O-])N[C@@H]1C[NH2+]CCC1(F)F ZINC000493447392 420852546 /nfs/dbraw/zinc/85/25/46/420852546.db2.gz GJUJRMDRXBGXKC-BTDICHCPSA-N 1 0 311.288 1.721 20 5 DDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCNC(=O)c1ccn[nH]1 ZINC000449231777 420974416 /nfs/dbraw/zinc/97/44/16/420974416.db2.gz QSNPQJDUKRKLPR-NSHDSACASA-N 1 0 317.349 1.269 20 5 DDBDRO CNc1nc(C(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000455613541 421044889 /nfs/dbraw/zinc/04/48/89/421044889.db2.gz NMCYNRGQIZQYGM-NSHDSACASA-N 1 0 319.365 1.340 20 5 DDBDRO CNc1nc(C(=O)N2C[C@H](C)[C@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000455775771 421060657 /nfs/dbraw/zinc/06/06/57/421060657.db2.gz RSJZIEFQIAWEQC-JOYOIKCWSA-N 1 0 307.354 1.054 20 5 DDBDRO CCOC(=O)[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC12COC2 ZINC000449366759 420998562 /nfs/dbraw/zinc/99/85/62/420998562.db2.gz SMXGFTDZHPSRAM-AWEZNQCLSA-N 1 0 320.345 1.606 20 5 DDBDRO CCOC(=O)[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC12COC2 ZINC000449366760 420998648 /nfs/dbraw/zinc/99/86/48/420998648.db2.gz SMXGFTDZHPSRAM-CQSZACIVSA-N 1 0 320.345 1.606 20 5 DDBDRO CC(C)[C@@H]1CN(c2ccc3ncc([N+](=O)[O-])n3n2)CC[N@@H+]1C ZINC000487084097 421001454 /nfs/dbraw/zinc/00/14/54/421001454.db2.gz JDARCFMHSUJSTC-NSHDSACASA-N 1 0 304.354 1.414 20 5 DDBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCCCN2CCO)c(F)c1 ZINC000449394344 421004146 /nfs/dbraw/zinc/00/41/46/421004146.db2.gz NTLPDSHHHAJCSZ-CQSZACIVSA-N 1 0 311.357 1.670 20 5 DDBDRO O=[N+]([O-])c1cccc(C[N@@H+]2C[C@H](O)C[C@H]2[C@H]2CCCOC2)c1 ZINC000449433160 421011169 /nfs/dbraw/zinc/01/11/69/421011169.db2.gz LASCQXKMVCSYIC-IMJJTQAJSA-N 1 0 306.362 1.957 20 5 DDBDRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000449715273 421066746 /nfs/dbraw/zinc/06/67/46/421066746.db2.gz IRXYJPCYWCQGQO-VXGBXAGGSA-N 1 0 307.350 1.607 20 5 DDBDRO CC[C@@H](C)[NH+]1CCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC1 ZINC000456532849 421179434 /nfs/dbraw/zinc/17/94/34/421179434.db2.gz PZLFBJQFAMXFBV-GFCCVEGCSA-N 1 0 323.397 1.469 20 5 DDBDRO C[C@@H]1COCCN1CCNc1nccc2cc([N+](=O)[O-])ccc21 ZINC000450310923 421180525 /nfs/dbraw/zinc/18/05/25/421180525.db2.gz CBZRTBADRNLGMI-GFCCVEGCSA-N 1 0 316.361 2.276 20 5 DDBDRO CC[NH+](CC)CCOCCN=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1 ZINC000450441943 421198534 /nfs/dbraw/zinc/19/85/34/421198534.db2.gz RISPQMOBVGADGP-UHFFFAOYSA-N 1 0 321.381 1.663 20 5 DDBDRO CC[N@@H+](Cc1ccc(C)cc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000524753474 421268919 /nfs/dbraw/zinc/26/89/19/421268919.db2.gz JDNNQPZMJDOJPX-MRXNPFEDSA-N 1 0 318.377 1.983 20 5 DDBDRO CCN(CCC[NH+](C)C)C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000527058774 421352782 /nfs/dbraw/zinc/35/27/82/421352782.db2.gz TZMJXIRXPCZUGQ-UHFFFAOYSA-N 1 0 323.349 1.737 20 5 DDBDRO CNc1ccc(C(=O)N[C@@H](CC[NH3+])C(F)F)cc1[N+](=O)[O-] ZINC000515648335 421513470 /nfs/dbraw/zinc/51/34/70/421513470.db2.gz RBLZCMGFBFNYOY-VIFPVBQESA-N 1 0 302.281 1.349 20 5 DDBDRO CON1CCC([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000563617840 421528741 /nfs/dbraw/zinc/52/87/41/421528741.db2.gz JPGLAPODVIOCJC-UHFFFAOYSA-N 1 0 322.365 1.539 20 5 DDBDRO Cc1c(NC(=O)CCN(C)[C@H]2CC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000563153035 421464422 /nfs/dbraw/zinc/46/44/22/421464422.db2.gz NSONFGGTAYMSHL-LBPRGKRZSA-N 1 0 306.366 1.526 20 5 DDBDRO CNc1nc(C(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000515130797 421480878 /nfs/dbraw/zinc/48/08/78/421480878.db2.gz MLQQIIPQAFRTSB-NSHDSACASA-N 1 0 321.381 1.492 20 5 DDBDRO CC(C)(C)[N@@H+]1CCCN(C(=O)c2ccnc(N)c2[N+](=O)[O-])CC1 ZINC000563374315 421494403 /nfs/dbraw/zinc/49/44/03/421494403.db2.gz ODGSCIFUQGEDAB-UHFFFAOYSA-N 1 0 321.381 1.518 20 5 DDBDRO CO[C@@H]1CC[C@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000564442312 421586652 /nfs/dbraw/zinc/58/66/52/421586652.db2.gz DSLOVBQAEAAWDT-RWMBFGLXSA-N 1 0 310.350 1.492 20 5 DDBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000516379331 421542317 /nfs/dbraw/zinc/54/23/17/421542317.db2.gz IAYHNTOFSBYVOH-JTQLQIEISA-N 1 0 321.333 1.538 20 5 DDBDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])cn2C)C[C@@H](C)C1 ZINC000554128839 421632727 /nfs/dbraw/zinc/63/27/27/421632727.db2.gz SWZXXCGQGZBWGH-OBJOEFQTSA-N 1 0 320.393 1.736 20 5 DDBDRO Cc1c(CC(=O)N2CC[N@@H+](C)C(C)(C)C2)cccc1[N+](=O)[O-] ZINC000571302463 421704541 /nfs/dbraw/zinc/70/45/41/421704541.db2.gz PBIANFHOIRTEGL-UHFFFAOYSA-N 1 0 305.378 1.998 20 5 DDBDRO O=c1c(Br)cc([N+](=O)[O-])cn1CC[C@@H]1CC[NH2+]C1 ZINC000519820352 421731740 /nfs/dbraw/zinc/73/17/40/421731740.db2.gz GCOCACZEMAYGNZ-QMMMGPOBSA-N 1 0 316.155 1.519 20 5 DDBDRO CSCCC[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000521031203 421770735 /nfs/dbraw/zinc/77/07/35/421770735.db2.gz VDRNEJCBALAJHW-NSHDSACASA-N 1 0 300.380 1.677 20 5 DDBDRO CC1(NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CC[NH2+]CC1 ZINC000575244817 422279331 /nfs/dbraw/zinc/27/93/31/422279331.db2.gz CAMWBROMUOCNJL-UHFFFAOYSA-N 1 0 321.333 1.238 20 5 DDBDRO CN(CC(=O)NCC1([NH3+])CCCC1)c1ccccc1[N+](=O)[O-] ZINC000595966444 422359300 /nfs/dbraw/zinc/35/93/00/422359300.db2.gz GEDUZGSFLKTDNP-UHFFFAOYSA-N 1 0 306.366 1.419 20 5 DDBDRO C[C@@H]1C[C@H](C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000576030017 422359424 /nfs/dbraw/zinc/35/94/24/422359424.db2.gz KEPADCQMSPWHOU-MGPQQGTHSA-N 1 0 324.377 1.739 20 5 DDBDRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1c(N)cccc1[N+](=O)[O-])C2 ZINC000597710151 422389860 /nfs/dbraw/zinc/38/98/60/422389860.db2.gz IJXUXVJQJFKMKS-INIZCTEOSA-N 1 0 318.377 1.735 20 5 DDBDRO O=[N+]([O-])c1ccc2nc(NCC[N@H+]3CC[C@@H](O)C3)ccc2c1 ZINC000599175510 422404417 /nfs/dbraw/zinc/40/44/17/422404417.db2.gz DKRKSDKCRMYNMU-CYBMUJFWSA-N 1 0 302.334 1.622 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCCC[C@H]2C[NH3+])c1 ZINC000577721409 422412666 /nfs/dbraw/zinc/41/26/66/422412666.db2.gz DGSURIJJEWMYDQ-NSHDSACASA-N 1 0 307.350 1.947 20 5 DDBDRO CC[C@@H]1C[N@H+](C)CCN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000578589559 422600936 /nfs/dbraw/zinc/60/09/36/422600936.db2.gz ZVUCRLSZDBDBCQ-HIFRSBDPSA-N 1 0 323.393 1.361 20 5 DDBDRO Cc1c(C(=O)NCC[NH+]2CCC(O)CC2)cccc1[N+](=O)[O-] ZINC000321255727 271026516 /nfs/dbraw/zinc/02/65/16/271026516.db2.gz LEPIUXYPQXAGLX-UHFFFAOYSA-N 1 0 307.350 1.090 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)NCCNc1cc[nH+]cc1 ZINC000341870168 271226922 /nfs/dbraw/zinc/22/69/22/271226922.db2.gz BCIKNLUPAOSXFB-UHFFFAOYSA-N 1 0 316.317 1.019 20 5 DDBDRO COC(=O)c1cc(C)nc(N2CC[N@H+](C)CC[C@H]2C)c1[N+](=O)[O-] ZINC000342144136 271318794 /nfs/dbraw/zinc/31/87/94/271318794.db2.gz XDTNIHXUVWSWKU-LLVKDONJSA-N 1 0 322.365 1.615 20 5 DDBDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000344621520 272072646 /nfs/dbraw/zinc/07/26/46/272072646.db2.gz SWJUAFZLFKQCJF-LBPRGKRZSA-N 1 0 321.381 1.422 20 5 DDBDRO CCCc1n[nH]c(C(=O)N[C@@H]2CCC[N@H+](C)[C@H]2C)c1[N+](=O)[O-] ZINC000345282722 272208291 /nfs/dbraw/zinc/20/82/91/272208291.db2.gz GQZPHLHXPBGOES-VHSXEESVSA-N 1 0 309.370 1.483 20 5 DDBDRO CCCc1n[nH]c(C(=O)NCC[NH+]2CCCCCC2)c1[N+](=O)[O-] ZINC000345501391 272267268 /nfs/dbraw/zinc/26/72/68/272267268.db2.gz HJBNJCUXMFNHPH-UHFFFAOYSA-N 1 0 323.397 1.876 20 5 DDBDRO COC(=O)c1cc(NC(=O)[C@@H]([NH3+])CC(F)F)cc([N+](=O)[O-])c1 ZINC000345717105 272313076 /nfs/dbraw/zinc/31/30/76/272313076.db2.gz RRHPYUCAUSDQIV-VIFPVBQESA-N 1 0 317.248 1.302 20 5 DDBDRO CC(C)(C)[C@@H](O)C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000264366114 273501156 /nfs/dbraw/zinc/50/11/56/273501156.db2.gz VXTGSXYWLCGKBH-ZDUSSCGKSA-N 1 0 308.382 1.519 20 5 DDBDRO C[NH2+]CCN(C)C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000120571537 273961454 /nfs/dbraw/zinc/96/14/54/273961454.db2.gz PTIZNFJQQXWNPZ-UHFFFAOYSA-N 1 0 303.322 1.072 20 5 DDBDRO COC(=O)c1cc(N2CC[C@@H]3C[NH2+]C[C@H]3C2)cc(C)c1[N+](=O)[O-] ZINC000420253966 274000150 /nfs/dbraw/zinc/00/01/50/274000150.db2.gz FNPQQVLJZMPFSC-NEPJUHHUSA-N 1 0 319.361 1.736 20 5 DDBDRO CC[NH+]1CCN([C@H]2CCN(c3ccccc3[N+](=O)[O-])C2)CC1 ZINC000106479488 276201847 /nfs/dbraw/zinc/20/18/47/276201847.db2.gz PHKMNBAUCMERIT-AWEZNQCLSA-N 1 0 304.394 1.811 20 5 DDBDRO C[N@@H+]1CCO[C@H]2CCN(c3ncc([N+](=O)[O-])cc3Cl)C[C@H]21 ZINC000284414796 277130108 /nfs/dbraw/zinc/13/01/08/277130108.db2.gz BUPBFPSAYNBTBK-NEPJUHHUSA-N 1 0 312.757 1.553 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(c3nc(-c4ccc([N+](=O)[O-])cc4)no3)C[C@@H]21 ZINC000450782297 277150068 /nfs/dbraw/zinc/15/00/68/277150068.db2.gz WZZBLNKKMZIJBT-YPMHNXCESA-N 1 0 315.333 1.785 20 5 DDBDRO C[C@@H](C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1)c1ccc([N+](=O)[O-])cc1F ZINC000192464654 278200653 /nfs/dbraw/zinc/20/06/53/278200653.db2.gz OLQVQBQVYJPGRG-UTUOFQBUSA-N 1 0 321.352 1.857 20 5 DDBDRO C[C@@H]1[NH2+]CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)[C@H]1C ZINC000262741873 279037581 /nfs/dbraw/zinc/03/75/81/279037581.db2.gz DXTLNTSYLSMOFW-IUCAKERBSA-N 1 0 303.322 1.294 20 5 DDBDRO C[C@H]1C[C@@H](C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)CCO1 ZINC000453573020 279948267 /nfs/dbraw/zinc/94/82/67/279948267.db2.gz GENXLWGGUFECMX-KBPBESRZSA-N 1 0 320.393 1.927 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N(C)[C@@H](C)C[NH3+])c1C ZINC000237487382 281015783 /nfs/dbraw/zinc/01/57/83/281015783.db2.gz MKXOQOCFHADPAL-VIFPVBQESA-N 1 0 301.368 1.179 20 5 DDBDRO C[N@H+](CC(=O)NCc1cccc([N+](=O)[O-])c1)[C@@H]1CCSC1 ZINC000122739634 281160591 /nfs/dbraw/zinc/16/05/91/281160591.db2.gz IYBYMRQMYUVXHS-CYBMUJFWSA-N 1 0 309.391 1.648 20 5 DDBDRO C[NH2+][C@H]1CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000122771478 281161184 /nfs/dbraw/zinc/16/11/84/281161184.db2.gz CODBYMKNUGYTTI-QMMMGPOBSA-N 1 0 319.770 1.231 20 5 DDBDRO C[NH2+][C@H]1CCN(S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])C1 ZINC000122798120 281161771 /nfs/dbraw/zinc/16/17/71/281161771.db2.gz PQNSOGIUUZFSHH-NSHDSACASA-N 1 0 313.379 1.194 20 5 DDBDRO C[NH2+]C[C@@H]1CCCN1S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000124848558 281195926 /nfs/dbraw/zinc/19/59/26/281195926.db2.gz BCHQHFZJXJGVMR-NSHDSACASA-N 1 0 313.379 1.276 20 5 DDBDRO [NH3+]C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000087384052 295243683 /nfs/dbraw/zinc/24/36/83/295243683.db2.gz VWYZPGZSZKQAKO-SECBINFHSA-N 1 0 319.770 1.264 20 5 DDBDRO C[NH+](C)[C@H]1CCC[C@@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000572482954 304531413 /nfs/dbraw/zinc/53/14/13/304531413.db2.gz HXRCTGOUFHZOEE-STQMWFEESA-N 1 0 313.379 1.356 20 5 DDBDRO O=C([C@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1)N1CCCC1 ZINC000357937511 299025733 /nfs/dbraw/zinc/02/57/33/299025733.db2.gz WYPILQZYANJAFS-ZDUSSCGKSA-N 1 0 321.381 1.126 20 5 DDBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000363020488 300199110 /nfs/dbraw/zinc/19/91/10/300199110.db2.gz LKXOZSDBLTUORI-NXEZZACHSA-N 1 0 306.322 1.052 20 5 DDBDRO CN(C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)C(=O)[C@H]1C[C@H]1[N+](=O)[O-] ZINC000364173984 300353693 /nfs/dbraw/zinc/35/36/93/300353693.db2.gz KKHOUPHJNCJFPF-XQLPTFJDSA-N 1 0 318.377 1.198 20 5 DDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N1CCC(OCCC[NH3+])CC1 ZINC000574637893 304670556 /nfs/dbraw/zinc/67/05/56/304670556.db2.gz KXZKJCDZIIIQDA-UHFFFAOYSA-N 1 0 322.365 1.147 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]3CC[N@H+](C)[C@@H]3C2)c1 ZINC000368590607 301060000 /nfs/dbraw/zinc/06/00/00/301060000.db2.gz KZNRBRWFFIZYPJ-IAQYHMDHSA-N 1 0 319.361 1.770 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCC23CCOCC3)c1 ZINC000368893131 301102295 /nfs/dbraw/zinc/10/22/95/301102295.db2.gz AQHOFBBJLJFWFB-AWEZNQCLSA-N 1 0 322.361 1.589 20 5 DDBDRO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000368976932 301116317 /nfs/dbraw/zinc/11/63/17/301116317.db2.gz ZVOQIXYJCRFJCJ-RZFFKMDDSA-N 1 0 319.361 1.214 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000372917266 301632094 /nfs/dbraw/zinc/63/20/94/301632094.db2.gz YVDTZRRSQDHSSG-GXFFZTMASA-N 1 0 305.334 1.427 20 5 DDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000376512277 302087835 /nfs/dbraw/zinc/08/78/35/302087835.db2.gz JDHRWABTFYZNIQ-LBPRGKRZSA-N 1 0 304.350 1.487 20 5 DDBDRO CC(C)(CC[NH3+])NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000397203635 302352398 /nfs/dbraw/zinc/35/23/98/302352398.db2.gz XTXYAVRJZDFWKR-UHFFFAOYSA-N 1 0 321.786 1.654 20 5 DDBDRO C[C@@H](CNc1ccc([N+](=O)[O-])cc1N1CCOC1=O)[NH+](C)C ZINC000496885323 302641103 /nfs/dbraw/zinc/64/11/03/302641103.db2.gz QMMLBZCWSCMTCQ-JTQLQIEISA-N 1 0 308.338 1.913 20 5 DDBDRO Cn1nc([N+](=O)[O-])cc1C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000356433320 306851490 /nfs/dbraw/zinc/85/14/90/306851490.db2.gz WVFGYDZSYPOAGP-UHFFFAOYSA-N 1 0 309.370 1.323 20 5 DDBDRO C[NH+](C)CC(C)(C)NC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000519583631 302842247 /nfs/dbraw/zinc/84/22/47/302842247.db2.gz CGTFKQXOKDEDRN-UHFFFAOYSA-N 1 0 324.381 1.613 20 5 DDBDRO Cc1c(C[NH2+]C[C@@H](O)COC2CCOCC2)cccc1[N+](=O)[O-] ZINC000521031133 302869748 /nfs/dbraw/zinc/86/97/48/302869748.db2.gz RIDUMRRKTLWQQC-CQSZACIVSA-N 1 0 324.377 1.549 20 5 DDBDRO Cn1c(Cl)cnc1CN(CC[NH3+])c1ccccc1[N+](=O)[O-] ZINC000289948921 302896043 /nfs/dbraw/zinc/89/60/43/302896043.db2.gz XSBRATFGHQNWKV-UHFFFAOYSA-N 1 0 309.757 1.947 20 5 DDBDRO CCN(CCC[NH+]1CCCC1)C(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000357099616 306871377 /nfs/dbraw/zinc/87/13/77/306871377.db2.gz LVVICTPTNBEKTM-UHFFFAOYSA-N 1 0 323.397 1.759 20 5 DDBDRO C[C@H](Cc1ccccc1F)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000559683093 303793543 /nfs/dbraw/zinc/79/35/43/303793543.db2.gz KWNGLCHEJVEOEH-RISCZKNCSA-N 1 0 322.340 1.512 20 5 DDBDRO C[C@H]([NH3+])C[C@H](C)NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000563127200 303924022 /nfs/dbraw/zinc/92/40/22/303924022.db2.gz WKVHUGRZGZTWME-UWVGGRQHSA-N 1 0 301.368 1.140 20 5 DDBDRO COc1cc(C[NH2+]C[C@]2(OC)CCOC2)c([N+](=O)[O-])cc1O ZINC000359622480 306958250 /nfs/dbraw/zinc/95/82/50/306958250.db2.gz GYWHKZLILUTZTA-CQSZACIVSA-N 1 0 312.322 1.204 20 5 DDBDRO O=C([C@H]1C[NH+]2CCC1CC2)N1CCc2c1cccc2[N+](=O)[O-] ZINC000370645298 307131415 /nfs/dbraw/zinc/13/14/15/307131415.db2.gz UXBXKKCQSRIRBC-ZDUSSCGKSA-N 1 0 301.346 1.826 20 5 DDBDRO O=[N+]([O-])c1cnn([C@@H]2CCCN(CCC[NH+]3CCCC3)C2)c1 ZINC000372279711 307167271 /nfs/dbraw/zinc/16/72/71/307167271.db2.gz APZFUQOTTBUFEZ-CQSZACIVSA-N 1 0 307.398 1.914 20 5 DDBDRO O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)[C@@H]1C[C@@H]1[N+](=O)[O-] ZINC000373972941 307198742 /nfs/dbraw/zinc/19/87/42/307198742.db2.gz KXMQDAHWEVVUBZ-XHSDSOJGSA-N 1 0 317.389 1.332 20 5 DDBDRO O=C(CC[N@@H+]1CCCOCC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000375366178 307224523 /nfs/dbraw/zinc/22/45/23/307224523.db2.gz JGPTYVNGPRPYQD-UHFFFAOYSA-N 1 0 311.313 1.785 20 5 DDBDRO O=[N+]([O-])c1cc(F)ccc1N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000375778866 307230814 /nfs/dbraw/zinc/23/08/14/307230814.db2.gz UBJOGKGEBOELMI-ZFWWWQNUSA-N 1 0 309.341 1.769 20 5 DDBDRO Cc1nc(N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)ccc1[N+](=O)[O-] ZINC000376666744 307252573 /nfs/dbraw/zinc/25/25/73/307252573.db2.gz VKKXJNTYBVKYAW-ZDUSSCGKSA-N 1 0 319.409 1.879 20 5 DDBDRO O=C(CC[NH2+][C@H]1CC[S@@](=O)C1)Nc1ccccc1[N+](=O)[O-] ZINC000564848256 308008401 /nfs/dbraw/zinc/00/84/01/308008401.db2.gz DTCFSVSCUYNWST-CHNSCGDPSA-N 1 0 311.363 1.034 20 5 DDBDRO O=C(CC[NH2+][C@H]1CC[S@](=O)C1)Nc1ccccc1[N+](=O)[O-] ZINC000564848264 308008441 /nfs/dbraw/zinc/00/84/41/308008441.db2.gz DTCFSVSCUYNWST-CWKPULSASA-N 1 0 311.363 1.034 20 5 DDBDRO CC[NH2+]CCCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1CC ZINC000566561118 308056878 /nfs/dbraw/zinc/05/68/78/308056878.db2.gz QUWREUXRRSRHGA-UHFFFAOYSA-N 1 0 315.395 1.435 20 5 DDBDRO COc1ccc(CNC(=O)C[N@@H+]2CCC(C)(C)C2)cc1[N+](=O)[O-] ZINC000567364716 308079096 /nfs/dbraw/zinc/07/90/96/308079096.db2.gz SAXSIVFHVKHUCL-UHFFFAOYSA-N 1 0 321.377 1.952 20 5 DDBDRO CNc1nc(C(=O)N2CCCC[C@H]2C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000576355493 308309120 /nfs/dbraw/zinc/30/91/20/308309120.db2.gz YMSNZDHNICDVAR-NSHDSACASA-N 1 0 321.381 1.588 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CC(C)(C(N)=O)C1 ZINC000576820635 308342071 /nfs/dbraw/zinc/34/20/71/308342071.db2.gz UVWIGPNBMURBJK-UHFFFAOYSA-N 1 0 320.349 1.039 20 5 DDBDRO CC[NH2+][C@H](C)CNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000387480400 325765899 /nfs/dbraw/zinc/76/58/99/325765899.db2.gz VUYZANWVWLCPHJ-SECBINFHSA-N 1 0 301.368 1.408 20 5 DDBDRO CC[NH+]1C[C@H](C)N(C(=O)CNc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000581894551 325932679 /nfs/dbraw/zinc/93/26/79/325932679.db2.gz WRTQKEZMAAOIMR-STQMWFEESA-N 1 0 320.393 1.948 20 5 DDBDRO C[C@]1([NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CCO[C@H]1C1CC1 ZINC000273089674 490716413 /nfs/dbraw/zinc/71/64/13/490716413.db2.gz SGROLSBFJMCHEM-HOCLYGCPSA-N 1 0 319.361 1.741 20 5 DDBDRO COC(=O)c1cc(C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000422827557 533729776 /nfs/dbraw/zinc/72/97/76/533729776.db2.gz SFRSPYXWWSTVOB-AOOOYVTPSA-N 1 0 321.333 1.204 20 5 DDBDRO C[C@@H]1C[C@H](C)N(C(=O)CCn2cc([N+](=O)[O-])cn2)C[C@H]1C[NH3+] ZINC000424070271 533811282 /nfs/dbraw/zinc/81/12/82/533811282.db2.gz JSEBPXKJNJQEMZ-GRYCIOLGSA-N 1 0 309.370 1.013 20 5 DDBDRO Cc1c(CN2C[C@H](C)[N@@H+](CCO)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000419331796 533847917 /nfs/dbraw/zinc/84/79/17/533847917.db2.gz RUTJOXPZBVJYDN-QWHCGFSZSA-N 1 0 307.394 1.790 20 5 DDBDRO C[C@@H]1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000424027250 533950728 /nfs/dbraw/zinc/95/07/28/533950728.db2.gz YEZNNSXKIDUIJR-VXGBXAGGSA-N 1 0 307.350 1.417 20 5 DDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](CO)C1CCOCC1 ZINC000449232685 534254155 /nfs/dbraw/zinc/25/41/55/534254155.db2.gz ITOXGHVTTZUEHD-SWLSCSKDSA-N 1 0 308.378 1.903 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H](C)c1cn[nH]c1 ZINC000494643314 534339709 /nfs/dbraw/zinc/33/97/09/534339709.db2.gz PQTWRXHMGRZDMD-JTQLQIEISA-N 1 0 303.322 1.916 20 5 DDBDRO [NH3+]C1CCC(OCC(=O)NCCc2ccccc2[N+](=O)[O-])CC1 ZINC000449140015 534563428 /nfs/dbraw/zinc/56/34/28/534563428.db2.gz BRMPKGWIKXBDFZ-UHFFFAOYSA-N 1 0 321.377 1.540 20 5 DDBDRO O=C(COC1C[NH2+]C1)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000430108091 534611062 /nfs/dbraw/zinc/61/10/62/534611062.db2.gz ZAXOJDWCFGHMQW-UHFFFAOYSA-N 1 0 307.350 1.022 20 5 DDBDRO [NH3+]CCCNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000422703294 534611579 /nfs/dbraw/zinc/61/15/79/534611579.db2.gz HMWAZQOYAQPXKH-UHFFFAOYSA-N 1 0 303.771 1.805 20 5 DDBDRO CCOC(=O)c1cc(C(=O)NC[C@H](C)C[NH2+]C)cc([N+](=O)[O-])c1 ZINC000422827853 528147687 /nfs/dbraw/zinc/14/76/87/528147687.db2.gz NSENMUBRIKCGCW-SNVBAGLBSA-N 1 0 323.349 1.357 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H](C[NH2+]C)C2)c1 ZINC000422802785 528610811 /nfs/dbraw/zinc/61/08/11/528610811.db2.gz DSZVWXRRHGKFDY-LLVKDONJSA-N 1 0 307.350 1.675 20 5 DDBDRO CC[N@@H+]1CCC[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000736571073 598499176 /nfs/dbraw/zinc/49/91/76/598499176.db2.gz PHRRYZCGNLGANA-SECBINFHSA-N 1 0 318.341 1.066 20 5 DDBDRO CC[N@@H+]1CCCN(c2ccc(-c3nn[nH]n3)c([N+](=O)[O-])c2)CC1 ZINC000821266709 606645514 /nfs/dbraw/zinc/64/55/14/606645514.db2.gz GLUHOHHVDHQSRG-UHFFFAOYSA-N 1 0 317.353 1.307 20 5 DDBDRO CC[NH+]1CCC(N(C)C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000122884627 696726320 /nfs/dbraw/zinc/72/63/20/696726320.db2.gz FKQYXXYGBCCMHG-UHFFFAOYSA-N 1 0 306.366 1.733 20 5 DDBDRO CC(C)(C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)S(C)(=O)=O ZINC000128681590 696781002 /nfs/dbraw/zinc/78/10/02/696781002.db2.gz UYRXRCSAUQYMQQ-GFCCVEGCSA-N 1 0 316.379 1.041 20 5 DDBDRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2ccc(F)cc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000983649727 697286481 /nfs/dbraw/zinc/28/64/81/697286481.db2.gz QUGMIYUTLJXSGW-NMFUWQPSSA-N 1 0 321.352 1.475 20 5 DDBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NCC[C@H](C)[NH3+] ZINC000178912390 697430627 /nfs/dbraw/zinc/43/06/27/697430627.db2.gz FYKGWZDXPVLCKU-QMMMGPOBSA-N 1 0 321.786 1.572 20 5 DDBDRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000195157969 697732764 /nfs/dbraw/zinc/73/27/64/697732764.db2.gz CDONLMAPKWWTGA-LLVKDONJSA-N 1 0 306.366 1.781 20 5 DDBDRO CCS(=O)(=O)C[C@H](C)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000775385535 697990911 /nfs/dbraw/zinc/99/09/11/697990911.db2.gz LMLROAXRKAFHRA-GWCFXTLKSA-N 1 0 316.379 1.041 20 5 DDBDRO CC[N@H+](C)C[C@H]1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776588827 698122969 /nfs/dbraw/zinc/12/29/69/698122969.db2.gz CFHPUYIXBYEGLS-CZUORRHYSA-N 1 0 307.394 1.902 20 5 DDBDRO C[C@@H]1CCC[N@@H+]1CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000780864926 698564545 /nfs/dbraw/zinc/56/45/45/698564545.db2.gz HCWFWBSYDGOKMP-LLVKDONJSA-N 1 0 313.379 1.357 20 5 DDBDRO C[NH+](C)C[C@]1(O)CCN(c2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000713690495 699266712 /nfs/dbraw/zinc/26/67/12/699266712.db2.gz UGVFHLVQWHBJSZ-GFCCVEGCSA-N 1 0 300.746 1.146 20 5 DDBDRO COCC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788526261 699321431 /nfs/dbraw/zinc/32/14/31/699321431.db2.gz ONTOHIGVDKCQEX-GFCCVEGCSA-N 1 0 310.398 1.796 20 5 DDBDRO C[NH+]1CCN(CCNc2nc3ccc([N+](=O)[O-])cc3s2)CC1 ZINC000731205662 699524266 /nfs/dbraw/zinc/52/42/66/699524266.db2.gz GPIWSQLKWGBHHL-UHFFFAOYSA-N 1 0 321.406 1.864 20 5 DDBDRO C[NH+](C)C[C@H]1CCN(Cn2c(=O)oc3cccc([N+](=O)[O-])c32)C1 ZINC000794631408 699820123 /nfs/dbraw/zinc/82/01/23/699820123.db2.gz CWPNZSUBGUJTNH-LLVKDONJSA-N 1 0 320.349 1.344 20 5 DDBDRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000801542029 700318755 /nfs/dbraw/zinc/31/87/55/700318755.db2.gz XKKQAQLSBXQVRE-GYSYKLTISA-N 1 0 310.350 1.806 20 5 DDBDRO CCCC[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000801893265 700351048 /nfs/dbraw/zinc/35/10/48/700351048.db2.gz UKUWOTYFXNCDKV-UHFFFAOYSA-N 1 0 312.345 1.778 20 5 DDBDRO CC[NH+](CC)CCOC(=O)c1cc([N+](=O)[O-])c(N)cc1OC ZINC000753458986 700436057 /nfs/dbraw/zinc/43/60/57/700436057.db2.gz ZSNWJGFBTWGEMH-UHFFFAOYSA-N 1 0 311.338 1.684 20 5 DDBDRO CNC(=O)CCC[N@H+](C)Cn1nc(C)c2cc([N+](=O)[O-])cnc21 ZINC000753803832 700458190 /nfs/dbraw/zinc/45/81/90/700458190.db2.gz ARBVAMVTDIZXLW-UHFFFAOYSA-N 1 0 320.353 1.063 20 5 DDBDRO C[C@@H]1CN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC[N@@H+]1C ZINC000761080656 700841189 /nfs/dbraw/zinc/84/11/89/700841189.db2.gz VBJCBSXPSPIZPJ-LLVKDONJSA-N 1 0 317.349 1.781 20 5 DDBDRO CC(C)OC[C@H](CO)[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000763876569 700951470 /nfs/dbraw/zinc/95/14/70/700951470.db2.gz UYGFDXFLXQIWBJ-GJZGRUSLSA-N 1 0 312.366 1.346 20 5 DDBDRO C[C@H]1C[C@H](NS(=O)(=O)c2csc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000768843149 701208771 /nfs/dbraw/zinc/20/87/71/701208771.db2.gz RIAPOFMRZYXWAD-DTWKUNHWSA-N 1 0 319.408 1.417 20 5 DDBDRO O=[N+]([O-])c1ccc([O-])cc1C[N@@H+]1CCC[C@H](C2OCCO2)C1 ZINC000769304780 701240155 /nfs/dbraw/zinc/24/01/55/701240155.db2.gz FJQHKLCQISVZRD-NSHDSACASA-N 1 0 308.334 1.885 20 5 DDBDRO O=C(CCCC[NH+]1CCCC1)NCCn1cc([N+](=O)[O-])cn1 ZINC000769599143 701249869 /nfs/dbraw/zinc/24/98/69/701249869.db2.gz HPFACAOLWGQVGP-UHFFFAOYSA-N 1 0 309.370 1.174 20 5 DDBDRO O=C(C[NH2+][C@@H](CO)C1CC1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000771812833 701332376 /nfs/dbraw/zinc/33/23/76/701332376.db2.gz KCRRUKMQBZOBCV-NSHDSACASA-N 1 0 313.741 1.547 20 5 DDBDRO O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839502368 701718829 /nfs/dbraw/zinc/71/88/29/701718829.db2.gz IIVNKZHHWDBSJX-RBSFLKMASA-N 1 0 303.362 1.605 20 5 DDBDRO COc1ccc(C(=O)N[C@H](C)C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000868000672 701884881 /nfs/dbraw/zinc/88/48/81/701884881.db2.gz VOJOEYNSYHQUGE-SNVBAGLBSA-N 1 0 307.350 1.721 20 5 DDBDRO C[C@@H]1CN(Cn2c3cc([N+](=O)[O-])ccc3oc2=O)C[C@H](C)[N@H+]1C ZINC000840090254 701963131 /nfs/dbraw/zinc/96/31/31/701963131.db2.gz NVMDEWZEJMIFTH-PHIMTYICSA-N 1 0 320.349 1.485 20 5 DDBDRO O=[N+]([O-])c1ccc2c(cnn2CN2CC[C@@](O)(C(F)F)C2)c1 ZINC000840114813 701975241 /nfs/dbraw/zinc/97/52/41/701975241.db2.gz UGNOLZIVDVIJFG-ZDUSSCGKSA-N 1 0 312.276 1.604 20 5 DDBDRO C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000840458602 702116894 /nfs/dbraw/zinc/11/68/94/702116894.db2.gz CVGROMQSKOONJR-REBRKWNGSA-N 1 0 303.362 1.431 20 5 DDBDRO NC[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CC1 ZINC000841027962 702315895 /nfs/dbraw/zinc/31/58/95/702315895.db2.gz HVIRJFHOPAWWKQ-INIZCTEOSA-N 1 0 304.394 1.891 20 5 DDBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCCS(C)(=O)=O ZINC000866258628 706659918 /nfs/dbraw/zinc/65/99/18/706659918.db2.gz WFPPJYYXKYSIBZ-SNVBAGLBSA-N 1 0 318.370 1.689 20 5 DDBDRO O=C1N[C@H](C[NH+]2CCCCC2)C(=O)N1c1ccc([N+](=O)[O-])cc1 ZINC000813355528 702336485 /nfs/dbraw/zinc/33/64/85/702336485.db2.gz LGFXWXSHIJBHHN-CYBMUJFWSA-N 1 0 318.333 1.506 20 5 DDBDRO COC[C@H](O)CC[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866312389 706671224 /nfs/dbraw/zinc/67/12/24/706671224.db2.gz MOUXNHLUZSVVEJ-GXFFZTMASA-N 1 0 300.330 1.652 20 5 DDBDRO C[NH2+]CCCN(C)C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000818014398 702553640 /nfs/dbraw/zinc/55/36/40/702553640.db2.gz TWSJCPCGBZIIJD-UHFFFAOYSA-N 1 0 324.337 1.801 20 5 DDBDRO [NH3+]C[C@@H]1CN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CCCO1 ZINC000818013206 702553928 /nfs/dbraw/zinc/55/39/28/702553928.db2.gz ZWIGRQLYHBBYLL-SECBINFHSA-N 1 0 313.741 1.438 20 5 DDBDRO C[NH2+][C@H]1CCN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000842684342 702756155 /nfs/dbraw/zinc/75/61/55/702756155.db2.gz ZZTDCPJVOLHTFF-VIFPVBQESA-N 1 0 319.770 1.231 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H](CO)[C@@H]2CCCOC2)cc1 ZINC000843116604 702822118 /nfs/dbraw/zinc/82/21/18/702822118.db2.gz QYMHUGFSOZLKIH-VHDGCEQUSA-N 1 0 310.350 1.005 20 5 DDBDRO C[NH2+]CCCc1nc(Cc2ccc([N+](=O)[O-])c(OC)c2)no1 ZINC000843191075 702837907 /nfs/dbraw/zinc/83/79/07/702837907.db2.gz BVEFTROSEKLBNO-UHFFFAOYSA-N 1 0 306.322 1.729 20 5 DDBDRO C[C@H]([NH3+])CCNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000843330854 702861076 /nfs/dbraw/zinc/86/10/76/702861076.db2.gz FBURLWQZTOXJIY-ZETCQYMHSA-N 1 0 303.721 1.783 20 5 DDBDRO [NH3+][C@H](CNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000843452692 702885396 /nfs/dbraw/zinc/88/53/96/702885396.db2.gz ODRUISSXOBFGNG-LLVKDONJSA-N 1 0 315.732 1.783 20 5 DDBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)C[C@H]1C[NH2+]CCO1)CC2 ZINC000843492905 702892853 /nfs/dbraw/zinc/89/28/53/702892853.db2.gz AFAOZOXZEQLZIO-LBPRGKRZSA-N 1 0 305.334 1.171 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000879564388 706718638 /nfs/dbraw/zinc/71/86/38/706718638.db2.gz ZQNKABISTZYTBL-RYUDHWBXSA-N 1 0 309.391 1.441 20 5 DDBDRO C[C@@H]([NH2+]C[C@]12COC(=O)N1CCOC2)c1ccc([N+](=O)[O-])cc1 ZINC000866519811 706719837 /nfs/dbraw/zinc/71/98/37/706719837.db2.gz WTBPJKOPTYDKGZ-ABAIWWIYSA-N 1 0 321.333 1.467 20 5 DDBDRO CC(C)[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000831599888 706736318 /nfs/dbraw/zinc/73/63/18/706736318.db2.gz VDLYFUZSAOTJGX-CYBMUJFWSA-N 1 0 322.321 1.573 20 5 DDBDRO Nc1ccc(N2CCC[C@H]([NH+]3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000848795507 703590698 /nfs/dbraw/zinc/59/06/98/703590698.db2.gz INTLVECDPUBMMJ-AWEZNQCLSA-N 1 0 320.393 1.868 20 5 DDBDRO [NH2+]=C(NCCNc1ccccc1[N+](=O)[O-])NC[C@@H]1CCCO1 ZINC000848982717 703606545 /nfs/dbraw/zinc/60/65/45/703606545.db2.gz FNGOGZJDLBKBAP-NSHDSACASA-N 1 0 307.354 1.300 20 5 DDBDRO COC[C@H](C)NC(=[NH2+])NCc1cc([N+](=O)[O-])ccc1Cl ZINC000849012702 703610700 /nfs/dbraw/zinc/61/07/00/703610700.db2.gz RZZKQUURWZLYFT-QMMMGPOBSA-N 1 0 300.746 1.897 20 5 DDBDRO COC(=O)N(C)CC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000850545328 703735899 /nfs/dbraw/zinc/73/58/99/703735899.db2.gz BFGDJHFJKPCCCA-JTQLQIEISA-N 1 0 311.338 1.952 20 5 DDBDRO CCO[C@H](CNC(=O)c1cc(C)cc([N+](=O)[O-])c1)C[NH+](C)C ZINC000831756743 706772746 /nfs/dbraw/zinc/77/27/46/706772746.db2.gz KVECYDKMMFLCPM-CQSZACIVSA-N 1 0 309.366 1.600 20 5 DDBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NC[C@@H]1CCC[NH2+]1 ZINC000818540866 703922394 /nfs/dbraw/zinc/92/23/94/703922394.db2.gz IJYFQYHVAFBTMW-VIFPVBQESA-N 1 0 315.732 1.798 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000818593823 703933683 /nfs/dbraw/zinc/93/36/83/703933683.db2.gz OQBNMROKAXLCQO-OAHLLOKOSA-N 1 0 306.366 1.472 20 5 DDBDRO CCc1cc(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000819054618 704060795 /nfs/dbraw/zinc/06/07/95/704060795.db2.gz QTYXTNLMYZOXNL-AWEZNQCLSA-N 1 0 320.349 1.410 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CCOC1CCC1 ZINC000819119829 704072135 /nfs/dbraw/zinc/07/21/35/704072135.db2.gz DAXBQMUQOSUGNW-LBPRGKRZSA-N 1 0 310.350 1.493 20 5 DDBDRO C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819154177 704077727 /nfs/dbraw/zinc/07/77/27/704077727.db2.gz ORLMRMPOLGCRNY-XFBWCDHKSA-N 1 0 305.378 1.701 20 5 DDBDRO CNC(=O)C1CCC([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000819230755 704091073 /nfs/dbraw/zinc/09/10/73/704091073.db2.gz YNMQJNRZGWEQND-HGMXIMQMSA-N 1 0 321.377 1.523 20 5 DDBDRO CO[C@@H]1COCC[C@H]1C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819345160 704111020 /nfs/dbraw/zinc/11/10/20/704111020.db2.gz XGMREHDZOFPXHD-AEGPPILISA-N 1 0 310.350 1.269 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H]2CCN(CC(F)F)C2)c1 ZINC000819378182 704116662 /nfs/dbraw/zinc/11/66/62/704116662.db2.gz WBOZYNSYWAOEGC-YPMHNXCESA-N 1 0 315.320 1.557 20 5 DDBDRO C[NH+](C)[C@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000853411609 704238965 /nfs/dbraw/zinc/23/89/65/704238965.db2.gz OSRXICZUWUTYNF-PWSUYJOCSA-N 1 0 306.366 1.978 20 5 DDBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](CO)C[NH+](C)C ZINC000854465637 704401860 /nfs/dbraw/zinc/40/18/60/704401860.db2.gz RYRHXYFXJGLKNV-RUNBWSAHSA-N 1 0 307.350 1.037 20 5 DDBDRO COc1ccc(C[N@H+]2C[C@H]3CN(C(C)=O)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000880308701 706935634 /nfs/dbraw/zinc/93/56/34/706935634.db2.gz KZZWHPIHHJNYSI-OKILXGFUSA-N 1 0 319.361 1.514 20 5 DDBDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823968185 705347101 /nfs/dbraw/zinc/34/71/01/705347101.db2.gz MNTNISDNQSXLPM-NXEZZACHSA-N 1 0 307.354 1.733 20 5 DDBDRO C[NH+](C)[C@H](CNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000825364001 705655362 /nfs/dbraw/zinc/65/53/62/705655362.db2.gz LQOAIOUASJMVEX-KGLIPLIRSA-N 1 0 307.350 1.085 20 5 DDBDRO Nc1ccc(C(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)cc1[N+](=O)[O-] ZINC000863033757 705853432 /nfs/dbraw/zinc/85/34/32/705853432.db2.gz MFORKNSZYOBRSN-CYBMUJFWSA-N 1 0 318.377 1.924 20 5 DDBDRO O=C(N[C@H]1C[NH2+]CCC1(F)F)c1c(F)cccc1[N+](=O)[O-] ZINC000876866757 705898508 /nfs/dbraw/zinc/89/85/08/705898508.db2.gz WWJAYAPUCMEHDV-VIFPVBQESA-N 1 0 303.240 1.461 20 5 DDBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@H](F)[C@H]1CC[NH2+]C1)CC2 ZINC000876904750 705917478 /nfs/dbraw/zinc/91/74/78/705917478.db2.gz JSLQJZXVBZDHCV-SMDDNHRTSA-N 1 0 307.325 1.740 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000827328346 705976171 /nfs/dbraw/zinc/97/61/71/705976171.db2.gz DWTPPJCEGZMBLM-QWHCGFSZSA-N 1 0 321.381 1.042 20 5 DDBDRO C[N@@H+]1CC[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3F)CC[C@H]21 ZINC000827339434 705979913 /nfs/dbraw/zinc/97/99/13/705979913.db2.gz TUPMZCUBSQPLLA-IINYFYTJSA-N 1 0 307.325 1.900 20 5 DDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@@H]3COC4(CCCC4)O3)C2)c1 ZINC000877133861 705993286 /nfs/dbraw/zinc/99/32/86/705993286.db2.gz JHJVHUYVYHDOPJ-ORHYLEIMSA-N 1 0 322.365 1.770 20 5 DDBDRO C[NH2+]C1(CNC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CCC1 ZINC000863923488 706038750 /nfs/dbraw/zinc/03/87/50/706038750.db2.gz VTCDNVSPLKQREK-UHFFFAOYSA-N 1 0 317.349 1.203 20 5 DDBDRO CCO[C@@H]1C[C@@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)[C@H]1OC ZINC000877350977 706076156 /nfs/dbraw/zinc/07/61/56/706076156.db2.gz IJAOMCUXNOIKDL-CLYBQGAHSA-N 1 0 310.354 1.277 20 5 DDBDRO Cn1cc(C[N@@H+]2CCC[C@@H](c3nccn3C)C2)c([N+](=O)[O-])n1 ZINC000877481125 706119006 /nfs/dbraw/zinc/11/90/06/706119006.db2.gz VSUMMNRUUWXCCA-LLVKDONJSA-N 1 0 304.354 1.441 20 5 DDBDRO CC(C)(C)N1CC[C@@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C1=O ZINC000877603445 706156192 /nfs/dbraw/zinc/15/61/92/706156192.db2.gz NIMSIKYHQSXAAP-GCZXYKMCSA-N 1 0 321.381 1.484 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1CN1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000877611813 706159247 /nfs/dbraw/zinc/15/92/47/706159247.db2.gz ATMDAGAZLQVYMH-CQSZACIVSA-N 1 0 305.378 1.462 20 5 DDBDRO C[NH+]1CCC(C)(CNC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000828812430 706236737 /nfs/dbraw/zinc/23/67/37/706236737.db2.gz ZMLYAFMPSWUUAH-AWEZNQCLSA-N 1 0 321.377 1.476 20 5 DDBDRO COC(=O)Cc1ccc(N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000828991247 706269475 /nfs/dbraw/zinc/26/94/75/706269475.db2.gz JILOIGGWCUXALI-SWLSCSKDSA-N 1 0 319.361 1.451 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCC(C)([NH+]2CCC2)CC1 ZINC000829455251 706336722 /nfs/dbraw/zinc/33/67/22/706336722.db2.gz NETPTQMWBQERHV-UHFFFAOYSA-N 1 0 321.381 1.187 20 5 DDBDRO C[NH+](C)CCn1cc(Nc2cc(F)c([N+](=O)[O-])cc2CO)cn1 ZINC000865484179 706443529 /nfs/dbraw/zinc/44/35/29/706443529.db2.gz UMUBPAVXMVIKQB-UHFFFAOYSA-N 1 0 323.328 1.728 20 5 DDBDRO CC(C)(O)C[N@@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000865998593 706589606 /nfs/dbraw/zinc/58/96/06/706589606.db2.gz NZBNKLIETQHDBD-VIFPVBQESA-N 1 0 314.773 1.900 20 5 DDBDRO O=C1[C@@H]([N@@H+]2CC[C@@H](CF)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000880296670 706931744 /nfs/dbraw/zinc/93/17/44/706931744.db2.gz FSVYVZSPYRBSOS-FZMZJTMJSA-N 1 0 307.325 1.992 20 5 DDBDRO O=[N+]([O-])c1ccccc1C[N@H+]1C[C@@H](O)CC2(CCOCC2)C1 ZINC000880584088 707027103 /nfs/dbraw/zinc/02/71/03/707027103.db2.gz DWHFYUYSASOAIF-AWEZNQCLSA-N 1 0 306.362 1.958 20 5 DDBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC[C@H]1CNC(=O)C1 ZINC000926976363 712925424 /nfs/dbraw/zinc/92/54/24/712925424.db2.gz CFJKBMCQVKRXMT-GHMZBOCLSA-N 1 0 309.341 1.781 20 5 DDBDRO O=[N+]([O-])c1ccc(Cn2cc(C[C@H]3CCC[NH2+]C3)nn2)cc1F ZINC000881214105 707155609 /nfs/dbraw/zinc/15/56/09/707155609.db2.gz XDNAKHDQHQNABN-LLVKDONJSA-N 1 0 319.340 1.916 20 5 DDBDRO O=[N+]([O-])c1ccc(F)cc1Cn1cc(CN2CCCC2)nn1 ZINC000881226502 707158759 /nfs/dbraw/zinc/15/87/59/707158759.db2.gz PHDNOTBNBQASNW-UHFFFAOYSA-N 1 0 305.313 1.970 20 5 DDBDRO COC(C)(C)CC[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000872226735 707337995 /nfs/dbraw/zinc/33/79/95/707337995.db2.gz UDSLXKXRDYPCQM-GFCCVEGCSA-N 1 0 312.366 1.739 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H]2CCCn3nccc32)c1 ZINC000872243128 707345408 /nfs/dbraw/zinc/34/54/08/707345408.db2.gz SRULVIGMQFMBDL-HIFRSBDPSA-N 1 0 302.334 1.949 20 5 DDBDRO CC[C@H]1COCCN1CCNc1ccc([N+](=O)[O-])c(N)c1F ZINC000872772482 707593433 /nfs/dbraw/zinc/59/34/33/707593433.db2.gz WAXSKZXFJZUJPR-JTQLQIEISA-N 1 0 312.345 1.839 20 5 DDBDRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2c1ccc([N+](=O)[O-])c2nonc21 ZINC000872780111 707596668 /nfs/dbraw/zinc/59/66/68/707596668.db2.gz JPCLUSJEILYYIA-NXEZZACHSA-N 1 0 303.322 1.804 20 5 DDBDRO CC(C)[N@@H+]1CCCC[C@H]1COC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000837478087 707659558 /nfs/dbraw/zinc/65/95/58/707659558.db2.gz SNEBUNMUULEAOB-ZDUSSCGKSA-N 1 0 324.381 1.988 20 5 DDBDRO CC[N@@H+]1CC[C@H]1CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000882489927 707660036 /nfs/dbraw/zinc/66/00/36/707660036.db2.gz HKEQPIFGYNFZRC-JTQLQIEISA-N 1 0 307.306 1.148 20 5 DDBDRO CC1([NH+]2CCC2)CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000882500250 707668277 /nfs/dbraw/zinc/66/82/77/707668277.db2.gz ZMGRAOGNIPIFEK-UHFFFAOYSA-N 1 0 318.377 1.877 20 5 DDBDRO CCN1CC[C@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000882766714 707782844 /nfs/dbraw/zinc/78/28/44/707782844.db2.gz OUYFGCWXQUEIIH-JTQLQIEISA-N 1 0 317.342 1.106 20 5 DDBDRO CC[NH+](CC)Cc1ccc(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC000839472360 708050205 /nfs/dbraw/zinc/05/02/05/708050205.db2.gz OWZLTZNEBMFMTJ-HUUCEWRRSA-N 1 0 305.378 1.810 20 5 DDBDRO C[C@@H](CNC(=O)NC[C@H]1CC[N@@H+]1C)c1ccccc1[N+](=O)[O-] ZINC000896619910 708098911 /nfs/dbraw/zinc/09/89/11/708098911.db2.gz OMGMOUBJDIKLFS-NWDGAFQWSA-N 1 0 306.366 1.702 20 5 DDBDRO C[NH2+][C@@H](CC(C)C)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000884133769 708154659 /nfs/dbraw/zinc/15/46/59/708154659.db2.gz KRDWEDAFKVANLG-AWEZNQCLSA-N 1 0 309.366 1.724 20 5 DDBDRO C[N@@H+]1C[C@@H]2CN(c3c(C(N)=O)cccc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000896912145 708180659 /nfs/dbraw/zinc/18/06/59/708180659.db2.gz OWFPWHPIMGVQTQ-BMIGLBTASA-N 1 0 304.350 1.082 20 5 DDBDRO CN1CCN(c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC[N@H+](C)CC1 ZINC000897093357 708227850 /nfs/dbraw/zinc/22/78/50/708227850.db2.gz MDOWZSZRUAYKFM-UHFFFAOYSA-N 1 0 323.353 1.187 20 5 DDBDRO Cn1nccc1[C@@H](O)C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000897301427 708284392 /nfs/dbraw/zinc/28/43/92/708284392.db2.gz JBVWCQVFIBAVEH-ZDUSSCGKSA-N 1 0 310.741 1.805 20 5 DDBDRO CC(=O)NC1CCC([N@H+](C)Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886125301 708702310 /nfs/dbraw/zinc/70/23/10/708702310.db2.gz NLOXSPSGUFWJMB-UHFFFAOYSA-N 1 0 306.366 1.869 20 5 DDBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@H](n2ccnn2)CC1 ZINC000886281193 708735087 /nfs/dbraw/zinc/73/50/87/708735087.db2.gz UOLBDRODCAYVDC-ZDUSSCGKSA-N 1 0 302.338 1.809 20 5 DDBDRO CN1CCO[C@H](C(=O)N2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000912652380 713061046 /nfs/dbraw/zinc/06/10/46/713061046.db2.gz FWDQSFHZGFSHRE-HNNXBMFYSA-N 1 0 319.361 1.595 20 5 DDBDRO [NH3+]CCN(CCc1ccccc1)Cc1cccnc1[N+](=O)[O-] ZINC000886838139 708859035 /nfs/dbraw/zinc/85/90/35/708859035.db2.gz RRKRYNBYQXIGEB-UHFFFAOYSA-N 1 0 300.362 1.993 20 5 DDBDRO Cc1cccc(C(=O)N2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)c1[N+](=O)[O-] ZINC000887936630 709172162 /nfs/dbraw/zinc/17/21/62/709172162.db2.gz RAORHTCUYVMZRZ-WBMJQRKESA-N 1 0 303.362 1.927 20 5 DDBDRO CC(C)(C)OC(=O)N1CC2(C1)CC[C@H](C[NH2+]CC[N+](=O)[O-])O2 ZINC000899891006 709228724 /nfs/dbraw/zinc/22/87/24/709228724.db2.gz GARICRANURZUHM-LLVKDONJSA-N 1 0 315.370 1.021 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC12CC[NH+](C)CC2 ZINC000889225841 709464431 /nfs/dbraw/zinc/46/44/31/709464431.db2.gz HRFUJHATCHSYRD-UHFFFAOYSA-N 1 0 319.361 1.914 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@]1(C)C[NH+]2CCC1CC2 ZINC000892774917 710496562 /nfs/dbraw/zinc/49/65/62/710496562.db2.gz VJGORPLBZLXVBW-MRXNPFEDSA-N 1 0 319.361 1.818 20 5 DDBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@H]1CCS(=O)(=O)C1 ZINC000892936687 710528187 /nfs/dbraw/zinc/52/81/87/710528187.db2.gz KTHDLWUHOGUACG-AAEUAGOBSA-N 1 0 312.391 1.550 20 5 DDBDRO Cc1nn(C)c(C(=O)N2C[C@]3(C)C[NH+](C)C[C@@]3(C)C2)c1[N+](=O)[O-] ZINC000913288607 713192098 /nfs/dbraw/zinc/19/20/98/713192098.db2.gz FLADYISAEAXMBG-GJZGRUSLSA-N 1 0 321.381 1.051 20 5 DDBDRO C[C@H]1[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000928430892 713192309 /nfs/dbraw/zinc/19/23/09/713192309.db2.gz JUQJTQLZXFDYKF-BSLXNSKLSA-N 1 0 303.362 1.907 20 5 DDBDRO C[C@H]1C[N@H+](CCCOC(=O)c2cc([N+](=O)[O-])cn2C)CCO1 ZINC000893390499 710631388 /nfs/dbraw/zinc/63/13/88/710631388.db2.gz GXCKKOTVHSKIJJ-NSHDSACASA-N 1 0 311.338 1.201 20 5 DDBDRO C[C@@H]1[C@@H](NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC[N@@H+]1C ZINC000928447858 713201293 /nfs/dbraw/zinc/20/12/93/713201293.db2.gz AHXPGXYLZZGPRL-RNCFNFMXSA-N 1 0 302.334 1.899 20 5 DDBDRO C[C@H]1[C@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC[N@@H+]1C ZINC000928448993 713201515 /nfs/dbraw/zinc/20/15/15/713201515.db2.gz DGOWJJVFLKARCK-WCBMZHEXSA-N 1 0 307.306 1.146 20 5 DDBDRO CC[C@@H](C(=O)NCc1cc([N+](=O)[O-])c(F)cc1F)[NH+](C)C ZINC000911469750 710811890 /nfs/dbraw/zinc/81/18/90/710811890.db2.gz IMTHZDPREASGDQ-NSHDSACASA-N 1 0 301.293 1.829 20 5 DDBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1CCN1C ZINC000903321975 711095809 /nfs/dbraw/zinc/09/58/09/711095809.db2.gz FEMHYJLDJDQLNK-FZMZJTMJSA-N 1 0 306.366 1.606 20 5 DDBDRO C[C@H](N[C@H]1CC[NH2+]C12CCC2)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000903466614 711135567 /nfs/dbraw/zinc/13/55/67/711135567.db2.gz XFVNFXFQSHJABF-FZMZJTMJSA-N 1 0 318.377 1.796 20 5 DDBDRO Cc1cnc(N2CC[NH+](CCCCCO)CC2)c([N+](=O)[O-])c1 ZINC000894964120 711341581 /nfs/dbraw/zinc/34/15/81/711341581.db2.gz JVNGGQVHSKQLQL-UHFFFAOYSA-N 1 0 308.382 1.583 20 5 DDBDRO O=[N+]([O-])c1ccc(CN[C@H]2C[NH2+]CC3(CCOCC3)C2)c(F)c1 ZINC000903974982 711353898 /nfs/dbraw/zinc/35/38/98/711353898.db2.gz XYCCEJRCYWIQIL-CYBMUJFWSA-N 1 0 323.368 1.982 20 5 DDBDRO COCC[N@H+](C)CCNC(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000896096664 711675474 /nfs/dbraw/zinc/67/54/74/711675474.db2.gz CBRXXGYNUOADOP-UHFFFAOYSA-N 1 0 309.366 1.520 20 5 DDBDRO CCO[C@H](CNc1ccnc2ccc([N+](=O)[O-])cc21)C[NH+](C)C ZINC000896108557 711677253 /nfs/dbraw/zinc/67/72/53/711677253.db2.gz HGGZXSWOOYCAKC-CYBMUJFWSA-N 1 0 318.377 1.944 20 5 DDBDRO CCO[C@@H](CNc1c2ccccc2ncc1[N+](=O)[O-])C[NH+](C)C ZINC000896110703 711677823 /nfs/dbraw/zinc/67/78/23/711677823.db2.gz AZNJSYCLQLTUAQ-LBPRGKRZSA-N 1 0 318.377 1.944 20 5 DDBDRO CCO[C@H](CNc1nc2sccn2c1[N+](=O)[O-])C[NH+](C)C 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1 0 319.361 1.229 20 5 DDBDRO CN1C[C@@H](CC[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000905534641 712068938 /nfs/dbraw/zinc/06/89/38/712068938.db2.gz ZWOADPZNBUKPLD-SMDDNHRTSA-N 1 0 307.350 1.086 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CC2CC3(C2)OCCO3)cc1 ZINC000905593807 712088807 /nfs/dbraw/zinc/08/88/07/712088807.db2.gz RTSNZKRJWQSEOA-CQSZACIVSA-N 1 0 308.334 1.371 20 5 DDBDRO C[N@@H+]1CC[C@@H]1CNC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000913931063 713321468 /nfs/dbraw/zinc/32/14/68/713321468.db2.gz QGRFUOVZSOMDMA-CYBMUJFWSA-N 1 0 307.354 1.010 20 5 DDBDRO Cc1c(CNC(=O)C[C@@]2(O)CCC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC000907695767 712615171 /nfs/dbraw/zinc/61/51/71/712615171.db2.gz PMMQYGUPWOKQPD-INIZCTEOSA-N 1 0 321.377 1.366 20 5 DDBDRO Cc1nn(C)c(C(=O)NC[C@@H](C)[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000920005705 713645737 /nfs/dbraw/zinc/64/57/37/713645737.db2.gz MRJSOHAPGBDTOG-SNVBAGLBSA-N 1 0 309.370 1.241 20 5 DDBDRO O=C(Nc1ccc(Cl)cn1)[C@@H]1CCC[N@@H+](CC[N+](=O)[O-])C1 ZINC000929887084 713713372 /nfs/dbraw/zinc/71/33/72/713713372.db2.gz JPVSZFVDWYBHOW-SNVBAGLBSA-N 1 0 312.757 1.662 20 5 DDBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](CCO[C@H]3CCOC3)C2)nc1 ZINC000929988913 713729769 /nfs/dbraw/zinc/72/97/69/713729769.db2.gz OOYWMASFHLUNNZ-OCCSQVGLSA-N 1 0 322.365 1.282 20 5 DDBDRO COc1cccc([C@@H]2[C@@H]([NH2+]CC[N+](=O)[O-])CCN2C2CC2)c1 ZINC000930353779 713812077 /nfs/dbraw/zinc/81/20/77/713812077.db2.gz KGWLYTVHIBTOOE-JKSUJKDBSA-N 1 0 305.378 1.839 20 5 DDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@@H]([NH+](C)C)[C@H]1C ZINC000931047114 713990527 /nfs/dbraw/zinc/99/05/27/713990527.db2.gz XPXHTXONMTUPQS-LALPHHSUSA-N 1 0 320.393 1.946 20 5 DDBDRO CC1(C)CC(=O)NCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000931207612 714036685 /nfs/dbraw/zinc/03/66/85/714036685.db2.gz MOEHFMARTWZVBV-UHFFFAOYSA-N 1 0 307.350 1.574 20 5 DDBDRO C[C@](CO)([NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1)c1cccc([N+](=O)[O-])c1 ZINC000931471464 714105392 /nfs/dbraw/zinc/10/53/92/714105392.db2.gz RMQKSAPTBHZMMB-IPOQPSJVSA-N 1 0 322.361 1.196 20 5 DDBDRO Cn1nnc2c1C[C@@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])CC2 ZINC000922993528 714206875 /nfs/dbraw/zinc/20/68/75/714206875.db2.gz LRGJTHBAJXAKAR-AGLBCWCQSA-N 1 0 313.361 1.884 20 5 DDBDRO O=[N+]([O-])c1ccc(Br)c(CN2C[C@@H]3C[C@H]2C[NH2+]3)c1 ZINC000923412228 714347560 /nfs/dbraw/zinc/34/75/60/714347560.db2.gz VGRIBWHCHDOYSH-ONGXEEELSA-N 1 0 312.167 1.903 20 5 DDBDRO O=[N+]([O-])c1ccc(Cl)c(CN2CCC[C@@H]([NH2+]CCO)C2)c1 ZINC000923406153 714345278 /nfs/dbraw/zinc/34/52/78/714345278.db2.gz CFWSJRPUMYYBSO-GFCCVEGCSA-N 1 0 313.785 1.795 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@@H](CC(C)C)[NH+](C)C ZINC000932692841 714389825 /nfs/dbraw/zinc/38/98/25/714389825.db2.gz FROWHHFDQWOBSE-GFCCVEGCSA-N 1 0 311.386 1.192 20 5 DDBDRO CC(C)[N@@H+]1CCC[C@H]1C(=O)OCCn1cc([N+](=O)[O-])ccc1=O ZINC000923888152 714484832 /nfs/dbraw/zinc/48/48/32/714484832.db2.gz BYMHKKQBTGBGJV-ZDUSSCGKSA-N 1 0 323.349 1.173 20 5 DDBDRO C[NH+](C)CC1(c2nc(Cc3ccc([N+](=O)[O-])cn3)no2)CC1 ZINC000923949935 714493446 /nfs/dbraw/zinc/49/34/46/714493446.db2.gz HXXXITHYKBQVFI-UHFFFAOYSA-N 1 0 303.322 1.557 20 5 DDBDRO C[C@]12C[N@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C[C@H]1[C@H]1CC[C@@H]2C1 ZINC000933709696 714652887 /nfs/dbraw/zinc/65/28/87/714652887.db2.gz UMDLCUOOHJWRKQ-PTNZTPPNSA-N 1 0 320.393 1.520 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@@H](Cc3nccs3)C2)c1 ZINC000934333747 714797001 /nfs/dbraw/zinc/79/70/01/714797001.db2.gz QVYVEUAYTZZXPY-NSHDSACASA-N 1 0 307.379 1.812 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H]1CCOC12CCOCC2 ZINC000934400687 714811340 /nfs/dbraw/zinc/81/13/40/714811340.db2.gz YMTKLFJUUVTOFN-GFCCVEGCSA-N 1 0 310.354 1.027 20 5 DDBDRO C[NH+](C)C[C@](C)(O)CNC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000935052683 714964505 /nfs/dbraw/zinc/96/45/05/714964505.db2.gz ODNHCXGRKJLULM-SQWLQELKSA-N 1 0 321.377 1.127 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000935978267 715141241 /nfs/dbraw/zinc/14/12/41/715141241.db2.gz VZNJIIHDOOQQRN-WCQYABFASA-N 1 0 321.381 1.185 20 5 DDBDRO Cc1nc(C)c(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)s1 ZINC001022063734 734368137 /nfs/dbraw/zinc/36/81/37/734368137.db2.gz KGEPOXCWYXWQBL-WRWGMCAJSA-N 1 0 324.406 1.162 20 5 DDBDRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(CCC[N+](=O)[O-])n2C)C1 ZINC001121288399 782442653 /nfs/dbraw/zinc/44/26/53/782442653.db2.gz CYDDJYPFDMKZFX-CYBMUJFWSA-N 1 0 324.429 1.193 20 5 DDBDRO C[C@@H](c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1C)[N+](=O)[O-] ZINC001121388798 782486836 /nfs/dbraw/zinc/48/68/36/782486836.db2.gz GTBLLUJGQLZLQR-NSHDSACASA-N 1 0 310.402 1.463 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])cc1-n1ccc(C[NH3+])cc1=N ZINC001167690138 736010465 /nfs/dbraw/zinc/01/04/65/736010465.db2.gz PBDHCJYYEMKGHN-UHFFFAOYSA-N 1 0 302.290 1.110 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(-n2ccc(C[NH3+])cc2=N)c1 ZINC001167693417 736210988 /nfs/dbraw/zinc/21/09/88/736210988.db2.gz MKMXOUKWHPDVQF-UHFFFAOYSA-N 1 0 302.290 1.110 20 5 DDBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1)c1cocn1 ZINC001020025392 736980429 /nfs/dbraw/zinc/98/04/29/736980429.db2.gz NCPYJVQMHYWGGV-MGCOHNPYSA-N 1 0 322.346 1.695 20 5 DDBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)c1cocn1 ZINC001020025566 736981674 /nfs/dbraw/zinc/98/16/74/736981674.db2.gz SZXNWFUJQDDMJF-HAQNSBGRSA-N 1 0 316.317 1.633 20 5 DDBDRO CCOC(=O)c1cnc(N[C@H]2C[NH2+]CC[C@H]2F)c([N+](=O)[O-])c1 ZINC001168228184 741832628 /nfs/dbraw/zinc/83/26/28/741832628.db2.gz OOVOCVAULXPTRU-ZJUUUORDSA-N 1 0 312.301 1.278 20 5 DDBDRO Cc1ccnc(N(C)CCN(C)C(=O)CC[NH+](C)C)c1[N+](=O)[O-] ZINC001105553686 742112378 /nfs/dbraw/zinc/11/23/78/742112378.db2.gz DWDFNBNFPOCTJF-UHFFFAOYSA-N 1 0 323.397 1.145 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@H]([C@@H]2CCCO2)C2(CO)CCC2)c1 ZINC001195580121 746645488 /nfs/dbraw/zinc/64/54/88/746645488.db2.gz ZXGYBQBHRHSLRT-UONOGXRCSA-N 1 0 324.381 1.091 20 5 DDBDRO [NH3+]CCc1nc(-c2ccccc2)nn1-c1ccc([N+](=O)[O-])cn1 ZINC001168708636 747204798 /nfs/dbraw/zinc/20/47/98/747204798.db2.gz PFNFSPZOQQIUPS-UHFFFAOYSA-N 1 0 310.317 1.739 20 5 DDBDRO Cc1nc(Cl)c([N+](=O)[O-])c(NCCN2CCC([NH3+])CC2)n1 ZINC001161866993 748216300 /nfs/dbraw/zinc/21/63/00/748216300.db2.gz ISZDFAYJBXTNIE-UHFFFAOYSA-N 1 0 314.777 1.182 20 5 DDBDRO CC(=O)NCC[NH+]1CCC(Nc2ccc([N+](=O)[O-])cn2)CC1 ZINC001111309300 750443354 /nfs/dbraw/zinc/44/33/54/750443354.db2.gz JEQKPERWNYHVMS-UHFFFAOYSA-N 1 0 307.354 1.002 20 5 DDBDRO CCC1(Nc2cc([N+](=O)[O-])cc(Br)[n+]2[O-])C[NH2+]C1 ZINC001168583671 751146677 /nfs/dbraw/zinc/14/66/77/751146677.db2.gz QFDLPGULZZDPFY-UHFFFAOYSA-N 1 0 317.143 1.155 20 5 DDBDRO O=C(NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1cccnn1 ZINC001168981969 762150661 /nfs/dbraw/zinc/15/06/61/762150661.db2.gz NZNZVENLNKCKNU-UHFFFAOYSA-N 1 0 315.333 1.295 20 5 DDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2ccc(OC3COC3)cc2)C1 ZINC001168971951 762161460 /nfs/dbraw/zinc/16/14/60/762161460.db2.gz MALQJKOYQZKOJP-UONOGXRCSA-N 1 0 306.362 1.999 20 5 DDBDRO O=C(N1CCC([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1)C(F)(F)F ZINC001169001640 762172776 /nfs/dbraw/zinc/17/27/76/762172776.db2.gz HDCOZBYNJBMLSJ-ONGXEEELSA-N 1 0 323.315 1.575 20 5 DDBDRO Cc1cc(C)nc(N2CC[NH+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)n1 ZINC001169029657 762186658 /nfs/dbraw/zinc/18/66/58/762186658.db2.gz UXIWZTVSETUUEQ-LSDHHAIUSA-N 1 0 319.409 1.661 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CC[C@@]3(CCN3c3ncccn3)C2)C1 ZINC001169019737 762199942 /nfs/dbraw/zinc/19/99/42/762199942.db2.gz JEJZIQYLZAAPHA-IIAWOOMASA-N 1 0 317.393 1.577 20 5 DDBDRO O=C(N1CCCC1)C12CC(C1)C[N@H+]2[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169026250 762203270 /nfs/dbraw/zinc/20/32/70/762203270.db2.gz WOEASBNNHKOJIK-ILTLLKDXSA-N 1 0 307.394 1.519 20 5 DDBDRO O=C(c1ccncc1)N1CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169046999 762204259 /nfs/dbraw/zinc/20/42/59/762204259.db2.gz PKCZCCZQHOGNPX-UKRRQHHQSA-N 1 0 318.377 1.285 20 5 DDBDRO CC(C)NC(=O)N[C@H]1CCC[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169052514 762207882 /nfs/dbraw/zinc/20/78/82/762207882.db2.gz GSFVCUQYRVUDRY-IHRRRGAJSA-N 1 0 312.414 1.604 20 5 DDBDRO COc1cccc(O[C@@H]2CC[N@@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C2)n1 ZINC001169053577 762208613 /nfs/dbraw/zinc/20/86/13/762208613.db2.gz IZFUONYPSVFUIN-BFHYXJOUSA-N 1 0 321.377 1.989 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CC[C@@H](N3CCOCC3)[C@@H](F)C2)C1 ZINC001169055292 762210048 /nfs/dbraw/zinc/21/00/48/762210048.db2.gz PBRGGDSERKFASP-CBBWQLFWSA-N 1 0 315.389 1.176 20 5 DDBDRO CC(=O)N1CCc2cc(-n3ccc([C@H](C)[NH3+])n3)cc([N+](=O)[O-])c21 ZINC001169235102 762282485 /nfs/dbraw/zinc/28/24/85/762282485.db2.gz QBJCFQZKIBLNCF-VIFPVBQESA-N 1 0 315.333 1.709 20 5 DDBDRO CC(=O)N1CCc2cc(-n3ccc([C@@H](C)[NH3+])n3)cc([N+](=O)[O-])c21 ZINC001169235101 762295822 /nfs/dbraw/zinc/29/58/22/762295822.db2.gz QBJCFQZKIBLNCF-SECBINFHSA-N 1 0 315.333 1.709 20 5 DDBDRO CCCC[NH+]1CCC2(CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1 ZINC001040699197 762652771 /nfs/dbraw/zinc/65/27/71/762652771.db2.gz AERZAWWZMZNDRA-ZIAGYGMSSA-N 1 0 309.410 1.766 20 5 DDBDRO CCC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])cc2C1 ZINC001054265664 759369193 /nfs/dbraw/zinc/36/91/93/759369193.db2.gz VBZBMNTVFUXNHS-HUUCEWRRSA-N 1 0 303.362 1.694 20 5 DDBDRO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001086082441 760940169 /nfs/dbraw/zinc/94/01/69/760940169.db2.gz OBRLJHJUKFVBDN-FAAHXZRKSA-N 1 0 321.352 1.475 20 5 DDBDRO O=C(NC[C@H]1C[C@@H]([NH2+]CCc2cccs2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001086084072 760945165 /nfs/dbraw/zinc/94/51/65/760945165.db2.gz BIVXXNVEPIQHQK-ZMJPVWNMSA-N 1 0 323.418 1.440 20 5 DDBDRO CCCOCC(=O)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001155408728 761136319 /nfs/dbraw/zinc/13/63/19/761136319.db2.gz XQEYRHNYOUFSNX-UHFFFAOYSA-N 1 0 309.366 1.617 20 5 DDBDRO Cc1csc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)n1 ZINC001086363383 761492679 /nfs/dbraw/zinc/49/26/79/761492679.db2.gz QUHXRIIMRORRRN-DDHJBXDOSA-N 1 0 324.406 1.101 20 5 DDBDRO Cc1cnoc1C(=O)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001170037298 764285674 /nfs/dbraw/zinc/28/56/74/764285674.db2.gz KPGKQJARDDUWPI-UHFFFAOYSA-N 1 0 318.333 1.801 20 5 DDBDRO [NH3+]Cc1cnnn1-c1nc2ccccc2c(Cl)c1[N+](=O)[O-] ZINC001158420292 768209566 /nfs/dbraw/zinc/20/95/66/768209566.db2.gz LZTZVKCZPZWGFR-UHFFFAOYSA-N 1 0 304.697 1.836 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])cnc1-n1ccc2c1CC[NH2+]C2 ZINC001157443459 765191424 /nfs/dbraw/zinc/19/14/24/765191424.db2.gz WDBOMWDNLBNSJQ-UHFFFAOYSA-N 1 0 302.290 1.213 20 5 DDBDRO COc1ccc(C[C@@H](C)[NH2+][C@H]2CCCNC(=O)C2)c([N+](=O)[O-])c1 ZINC001170325891 766252517 /nfs/dbraw/zinc/25/25/17/766252517.db2.gz BQPILESMVJKSPW-YPMHNXCESA-N 1 0 321.377 1.793 20 5 DDBDRO CCn1c(C[N+](=O)[O-])nnc1N(C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC001121698267 782631934 /nfs/dbraw/zinc/63/19/34/782631934.db2.gz FMIPUTPRBXVRJO-NWDGAFQWSA-N 1 0 310.402 1.241 20 5 DDBDRO Cc1cc(Cl)nc(-n2cc3c(n2)CC[C@@H]([NH3+])C3)c1[N+](=O)[O-] ZINC001157988127 767614120 /nfs/dbraw/zinc/61/41/20/767614120.db2.gz KYQKVYIFXNEQEW-SECBINFHSA-N 1 0 307.741 1.953 20 5 DDBDRO O=C(Cc1ccco1)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001135593888 771596559 /nfs/dbraw/zinc/59/65/59/771596559.db2.gz VTQQMJLMTWBCPV-UHFFFAOYSA-N 1 0 309.347 1.698 20 5 DDBDRO CCC[N@H+](C)CC(=O)N[C@H]1C[C@H](Nc2ncccc2[N+](=O)[O-])C1 ZINC001097052858 771599294 /nfs/dbraw/zinc/59/92/94/771599294.db2.gz BJVVSZGWKOOAHD-HAQNSBGRSA-N 1 0 321.381 1.391 20 5 DDBDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001135813381 771731763 /nfs/dbraw/zinc/73/17/63/771731763.db2.gz DGQGAANPVMIXPO-LLVKDONJSA-N 1 0 321.381 1.566 20 5 DDBDRO COCCC(C)(C)C(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001146221650 772823372 /nfs/dbraw/zinc/82/33/72/772823372.db2.gz DPHJGVDUQHQJKY-UHFFFAOYSA-N 1 0 323.393 1.863 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(NCCNC(=O)COCC[NH+](C)C)c1 ZINC001093750334 775053023 /nfs/dbraw/zinc/05/30/23/775053023.db2.gz WRIZXZXCTUAQKY-UHFFFAOYSA-N 1 0 324.381 1.010 20 5 DDBDRO CC[N@H+](C)C(C)(C)C(=O)NCCN(C)c1ncccc1[N+](=O)[O-] ZINC001100203974 775816570 /nfs/dbraw/zinc/81/65/70/775816570.db2.gz OAVMLNPRNCQVPO-UHFFFAOYSA-N 1 0 323.397 1.273 20 5 DDBDRO Cc1ccnc(NCCCNC(=O)C[N@@H+](C)C(C)C)c1[N+](=O)[O-] ZINC001094456815 775894882 /nfs/dbraw/zinc/89/48/82/775894882.db2.gz SBNBSFCNYFLIGA-UHFFFAOYSA-N 1 0 323.397 1.557 20 5 DDBDRO Cc1cnc(N(C)CCNC(=O)CCC[NH+](C)C)c([N+](=O)[O-])c1 ZINC001100286716 775941718 /nfs/dbraw/zinc/94/17/18/775941718.db2.gz KXIWTMGHBIODEI-UHFFFAOYSA-N 1 0 323.397 1.192 20 5 DDBDRO N=c1ncc(C[NH3+])cn1[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172905647 776916833 /nfs/dbraw/zinc/91/68/33/776916833.db2.gz TUHSTYNDXLVDQL-CQSZACIVSA-N 1 0 313.361 1.850 20 5 DDBDRO CCCN(CCNC(=O)CC[NH+](C)C)c1ncccc1[N+](=O)[O-] ZINC001101228856 776999745 /nfs/dbraw/zinc/99/97/45/776999745.db2.gz WSAUFNOGTWYMTM-UHFFFAOYSA-N 1 0 323.397 1.274 20 5 DDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=[NH2+])N1CCN(C)CC1 ZINC001173232145 777063757 /nfs/dbraw/zinc/06/37/57/777063757.db2.gz DAGJSCWXHGZBBH-GFCCVEGCSA-N 1 0 305.382 1.298 20 5 DDBDRO CC[N@H+](C)CCC(=O)N(C)CCNc1ncc(C)cc1[N+](=O)[O-] ZINC001101756588 777479151 /nfs/dbraw/zinc/47/91/51/777479151.db2.gz FLJUHOZOPPDCNI-UHFFFAOYSA-N 1 0 323.397 1.510 20 5 DDBDRO O=C1OCC[C@]12CCN(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C2 ZINC001177001138 778383696 /nfs/dbraw/zinc/38/36/96/778383696.db2.gz BZDITDKELZAOGV-AWEZNQCLSA-N 1 0 321.289 1.642 20 5 DDBDRO Cc1cncc([N+](=O)[O-])c1N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001119984891 781709510 /nfs/dbraw/zinc/70/95/10/781709510.db2.gz WZNLULNCDVLPPQ-STQMWFEESA-N 1 0 306.366 1.334 20 5 DDBDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])cc3N)[C@@H]2C1 ZINC001142701853 861237243 /nfs/dbraw/zinc/23/72/43/861237243.db2.gz GNQQVCJPBOJEIQ-IINYFYTJSA-N 1 0 304.350 1.343 20 5 DDBDRO Cc1cc(C(=O)N2CC[C@@H](CC[NH+](C)C)C2)c(N)c([N+](=O)[O-])c1 ZINC001154643148 861315210 /nfs/dbraw/zinc/31/52/10/861315210.db2.gz JMJGKHKJQQCPTP-GFCCVEGCSA-N 1 0 320.393 1.899 20 5 DDBDRO CC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[NH+](C/C=C\Cl)CC1 ZINC001270878955 843004690 /nfs/dbraw/zinc/00/46/90/843004690.db2.gz GTCFZSIPJWVKDQ-YNNXIKFZSA-N 1 0 315.801 1.622 20 5 DDBDRO [NH3+]CC1(CCNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001326532265 861430164 /nfs/dbraw/zinc/43/01/64/861430164.db2.gz ABXBRZHVBPFXTE-UHFFFAOYSA-N 1 0 318.377 1.792 20 5 DDBDRO C[NH+](C)C[C@@H]1COCCN1c1nc2ccccc2cc1[N+](=O)[O-] ZINC001154977934 861616299 /nfs/dbraw/zinc/61/62/99/861616299.db2.gz PGDBOPQGGVAGCT-CYBMUJFWSA-N 1 0 316.361 1.910 20 5 DDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC001326815648 861628304 /nfs/dbraw/zinc/62/83/04/861628304.db2.gz AIZMGJDSUQHFGR-GWCFXTLKSA-N 1 0 304.350 1.461 20 5 DDBDRO CSc1nc(Cl)c([N+](=O)[O-])c(-n2nccc2C[NH3+])n1 ZINC001155124435 861755469 /nfs/dbraw/zinc/75/54/69/861755469.db2.gz WRBNKSGGOSNYPU-UHFFFAOYSA-N 1 0 300.731 1.405 20 5 DDBDRO Cc1cc(N[C@@H]2CC[NH2+][C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001155188508 861813278 /nfs/dbraw/zinc/81/32/78/861813278.db2.gz KSSTXFLJINZDQC-BXUZGUMPSA-N 1 0 313.361 1.944 20 5 DDBDRO [NH3+][C@H]1COC[C@H]1Nc1ccc(-c2ccc([N+](=O)[O-])cc2)nn1 ZINC001155353413 861986582 /nfs/dbraw/zinc/98/65/82/861986582.db2.gz PBUBKMFLSVUVSK-WCQYABFASA-N 1 0 301.306 1.190 20 5 DDBDRO COC(=O)[C@@H](Nc1ncnc2cc([N+](=O)[O-])ccc21)C(C)(C)[NH3+] ZINC001155368331 861999852 /nfs/dbraw/zinc/99/98/52/861999852.db2.gz GGWMMDQIHIVVMB-LLVKDONJSA-N 1 0 319.321 1.229 20 5 DDBDRO Cc1cc(Cl)nc(N[C@@H]2COCCC23C[NH2+]C3)c1[N+](=O)[O-] ZINC001155462657 862113542 /nfs/dbraw/zinc/11/35/42/862113542.db2.gz RSXBYWHOOFVIEF-SECBINFHSA-N 1 0 312.757 1.742 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])c(NCC[C@@H]2CCOC23C[NH2+]C3)n1 ZINC001155477714 862134550 /nfs/dbraw/zinc/13/45/50/862134550.db2.gz OFVFVCBDDKYKSD-GFCCVEGCSA-N 1 0 306.366 1.787 20 5 DDBDRO O=[N+]([O-])c1ccc2ccc(NC[C@@H]3CO[C@@H]4C[NH2+]C[C@H]34)nc2c1 ZINC001155482735 862143108 /nfs/dbraw/zinc/14/31/08/862143108.db2.gz BALWDKWWUSACTG-UXIGCNINSA-N 1 0 314.345 1.789 20 5 DDBDRO CC[N@@H+]1C[C@@H](NC(=O)c2ccnc(N)c2[N+](=O)[O-])C(C)(C)C1 ZINC001156836517 863384506 /nfs/dbraw/zinc/38/45/06/863384506.db2.gz KOPWEIPPPMRQDD-SNVBAGLBSA-N 1 0 307.354 1.032 20 5 DDBDRO O=[N+]([O-])c1ccc2ncc(NC[C@@]34C[NH2+][C@@H](CO3)C4)nc2c1 ZINC001155537438 862204370 /nfs/dbraw/zinc/20/43/70/862204370.db2.gz LVHFCQZOMMVQHC-YMTOWFKASA-N 1 0 301.306 1.081 20 5 DDBDRO O=C1C[C@@H]2[NH2+]CC[C@]2(Nc2ccc3ccc([N+](=O)[O-])cc3n2)N1 ZINC001155572790 862241636 /nfs/dbraw/zinc/24/16/36/862241636.db2.gz XWHMTOHTORLMDW-WFASDCNBSA-N 1 0 313.317 1.133 20 5 DDBDRO COC(=O)c1ccnc(N[C@H]2C[NH+]3CCC2CC3)c1[N+](=O)[O-] ZINC001155667864 862360299 /nfs/dbraw/zinc/36/02/99/862360299.db2.gz PYFOUKKHHBOHJE-NSHDSACASA-N 1 0 306.322 1.283 20 5 DDBDRO O=C(Cc1ccc[nH]1)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001151782247 862964933 /nfs/dbraw/zinc/96/49/33/862964933.db2.gz RJUQQPPFHJJEIT-UHFFFAOYSA-N 1 0 302.334 1.371 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC001119931871 858573529 /nfs/dbraw/zinc/57/35/29/858573529.db2.gz OEMLOKRSABYEEK-UHFFFAOYSA-N 1 0 321.381 1.090 20 5 DDBDRO CC1(NC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC001121938404 858639518 /nfs/dbraw/zinc/63/95/18/858639518.db2.gz VBCFDLQUHIIQNE-ZIAGYGMSSA-N 1 0 303.362 1.957 20 5 DDBDRO C[NH2+]C[C@H](O)CN(C)C(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC001122101187 858686396 /nfs/dbraw/zinc/68/63/96/858686396.db2.gz XYIWGZBWQZCRLG-LBPRGKRZSA-N 1 0 309.366 1.172 20 5 DDBDRO COc1cc(C(=O)N2CCC3(C[NH2+]C3)CC2)cc([N+](=O)[O-])c1C ZINC001122128588 858691834 /nfs/dbraw/zinc/69/18/34/858691834.db2.gz CAECGGKZTWBLSX-UHFFFAOYSA-N 1 0 319.361 1.737 20 5 DDBDRO O=C(CCc1cc(F)ccc1[N+](=O)[O-])N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001122216299 858716555 /nfs/dbraw/zinc/71/65/55/858716555.db2.gz OXASWEFCPYWPCQ-QWHCGFSZSA-N 1 0 321.352 1.734 20 5 DDBDRO Cc1c(C(=O)N(C)C2(C[NH3+])CCOCC2)cccc1[N+](=O)[O-] ZINC001122278180 858736180 /nfs/dbraw/zinc/73/61/80/858736180.db2.gz KDDMUNJSMADJGX-UHFFFAOYSA-N 1 0 307.350 1.483 20 5 DDBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1C[NH2+]CC12CC2 ZINC001122497095 858852623 /nfs/dbraw/zinc/85/26/23/858852623.db2.gz ATYONCIXKQHXAV-MFKMUULPSA-N 1 0 321.402 1.944 20 5 DDBDRO CCOC(=O)CCCCCCOC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001224392026 881365828 /nfs/dbraw/zinc/36/58/28/881365828.db2.gz CIEISUCDKKQHFX-CQSZACIVSA-N 1 0 318.434 1.500 20 5 DDBDRO CC[N@@H+]1C[C@H](NC(=O)CNc2ccccc2[N+](=O)[O-])C(C)(C)C1 ZINC001156828108 863372139 /nfs/dbraw/zinc/37/21/39/863372139.db2.gz JTIAZRBHDDXRMB-AWEZNQCLSA-N 1 0 320.393 1.853 20 5 DDBDRO COC(=O)[C@@H](CCC[NH3+])Nc1ccc2c(cccc2[N+](=O)[O-])n1 ZINC001157115856 863593012 /nfs/dbraw/zinc/59/30/12/863593012.db2.gz AZEYXDADNPRZJM-GFCCVEGCSA-N 1 0 318.333 1.835 20 5 DDBDRO O=C(CO[C@@H]1CCC[NH2+]C1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001329513691 863705189 /nfs/dbraw/zinc/70/51/89/863705189.db2.gz JDYFXGKVQZLGEN-CQSZACIVSA-N 1 0 305.334 1.206 20 5 DDBDRO CCOC(=O)c1ccnc(N2CCC[C@@H]([NH3+])[C@H]2C)c1[N+](=O)[O-] ZINC001157748156 864098699 /nfs/dbraw/zinc/09/86/99/864098699.db2.gz SYVHBDNZPTXBEV-MWLCHTKSSA-N 1 0 308.338 1.483 20 5 DDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC001330701228 864540862 /nfs/dbraw/zinc/54/08/62/864540862.db2.gz HQZKTQZZADLJIW-IYBDPMFKSA-N 1 0 318.377 1.708 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CCO[C@H](C[NH+]3CCCC3)C2)n1 ZINC001158309795 864565684 /nfs/dbraw/zinc/56/56/84/864565684.db2.gz UCJXKIGQPAOJBI-CQSZACIVSA-N 1 0 320.393 1.908 20 5 DDBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CC[N@@H+](C)CC12CCCC2 ZINC001158409835 864635982 /nfs/dbraw/zinc/63/59/82/864635982.db2.gz BTWSTAGCMHQKLS-UHFFFAOYSA-N 1 0 306.366 1.601 20 5 DDBDRO C[N@@H+]1CCC[C@H]1CNC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001330963588 864740747 /nfs/dbraw/zinc/74/07/47/864740747.db2.gz FOGSMMGTFHWSNE-AWEZNQCLSA-N 1 0 304.350 1.714 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC(C)(C)CC[NH+](C)C)n1 ZINC001158760314 864884103 /nfs/dbraw/zinc/88/41/03/864884103.db2.gz PSZHWLFKJWHNGT-UHFFFAOYSA-N 1 0 310.354 1.919 20 5 DDBDRO [NH3+][C@H]1CN(c2ccc3ccc4cccnc4c3n2)CC12COC2 ZINC001158762820 864886366 /nfs/dbraw/zinc/88/63/66/864886366.db2.gz CMKAYHADBISZTK-AWEZNQCLSA-N 1 0 306.369 1.947 20 5 DDBDRO O=[N+]([O-])c1cc(F)ccc1Cn1cc(C[NH2+]CC2CC2)nn1 ZINC001331886050 865413054 /nfs/dbraw/zinc/41/30/54/865413054.db2.gz WVVFNIAMPVBKMZ-UHFFFAOYSA-N 1 0 305.313 1.873 20 5 DDBDRO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1nccc(Cl)c1[N+](=O)[O-] ZINC001159750564 865501669 /nfs/dbraw/zinc/50/16/69/865501669.db2.gz MYPRNXFUTCGNOR-VXNVDRBHSA-N 1 0 314.729 1.206 20 5 DDBDRO Nc1cc(N2c3ccccc3OC[C@@H]2C[NH3+])ncc1[N+](=O)[O-] ZINC001160199999 865724839 /nfs/dbraw/zinc/72/48/39/865724839.db2.gz MZJAEJNKJSWEMM-VIFPVBQESA-N 1 0 301.306 1.430 20 5 DDBDRO [NH3+]C[C@@]1(Nc2nccc(Cl)c2[N+](=O)[O-])CN2CCC1CC2 ZINC001160509105 865891116 /nfs/dbraw/zinc/89/11/16/865891116.db2.gz NMOKDACUEJLDGJ-CYBMUJFWSA-N 1 0 311.773 1.478 20 5 DDBDRO CC(=O)O[C@H]1C[C@@H]2C[C@H](Oc3cccnc3[N+](=O)[O-])C[C@H]1[N@@H+]2C ZINC001225629919 881944396 /nfs/dbraw/zinc/94/43/96/881944396.db2.gz SUPDTKQTLZJECC-FMSGJZPZSA-N 1 0 321.333 1.535 20 5 DDBDRO C[NH+](C)C1CN(c2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)C1 ZINC001333128135 866442380 /nfs/dbraw/zinc/44/23/80/866442380.db2.gz RKSPSGKQEPNIIK-UHFFFAOYSA-N 1 0 304.350 1.237 20 5 DDBDRO O=[N+]([O-])c1ccn(Cc2nc([C@@H]3C[NH+]4CCC3CC4)no2)n1 ZINC001320496909 866778423 /nfs/dbraw/zinc/77/84/23/866778423.db2.gz TTZSRSGFQDRCOS-SNVBAGLBSA-N 1 0 304.310 1.032 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ncccc1C(F)(F)F ZINC001225838256 882061225 /nfs/dbraw/zinc/06/12/25/882061225.db2.gz MJKWXJXUZJDIMR-SECBINFHSA-N 1 0 307.292 1.463 20 5 DDBDRO COc1cc([N+](=O)[O-])c(N[C@@H](C)CN2CC[NH2+]CC2)cc1F ZINC001162097321 867248117 /nfs/dbraw/zinc/24/81/17/867248117.db2.gz MOZXEMPKKVZPPK-JTQLQIEISA-N 1 0 312.345 1.448 20 5 DDBDRO O=C([C@H](O)c1cccc([N+](=O)[O-])c1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001324437770 867279600 /nfs/dbraw/zinc/27/96/00/867279600.db2.gz BXZIUFYWYHXUNM-HUUCEWRRSA-N 1 0 319.361 1.325 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001334111557 867303378 /nfs/dbraw/zinc/30/33/78/867303378.db2.gz VQFUAHYIAXTKMY-RYUDHWBXSA-N 1 0 323.397 1.336 20 5 DDBDRO COc1nc(C)nc(NC[C@H]2CCC[NH2+]C[C@@H]2C)c1[N+](=O)[O-] ZINC001162456861 867548677 /nfs/dbraw/zinc/54/86/77/867548677.db2.gz ZLADNJACCMHLJX-GXSJLCMTSA-N 1 0 309.370 1.749 20 5 DDBDRO COCC(C)(C)C(=O)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001162507922 867598037 /nfs/dbraw/zinc/59/80/37/867598037.db2.gz JINKRTJLIYZORA-UHFFFAOYSA-N 1 0 323.393 1.863 20 5 DDBDRO Cc1nc(NCCCN2CCC[N@@H+](C)CC2)ncc1[N+](=O)[O-] ZINC001325179654 867844686 /nfs/dbraw/zinc/84/46/86/867844686.db2.gz HJIRTYBQDJLLBN-UHFFFAOYSA-N 1 0 308.386 1.133 20 5 DDBDRO CNc1ccc([N+](=O)[O-])cc1NC(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC001163063114 868047512 /nfs/dbraw/zinc/04/75/12/868047512.db2.gz YFDYYDWDWYESQF-HNNXBMFYSA-N 1 0 322.365 1.422 20 5 DDBDRO COc1ccc(NCc2noc3c2C[NH2+]CC3)nc1[N+](=O)[O-] ZINC001163125937 868131148 /nfs/dbraw/zinc/13/11/48/868131148.db2.gz ISRZCGDOPPLYIS-UHFFFAOYSA-N 1 0 305.294 1.244 20 5 DDBDRO COc1ccnc(NC[C@@H]2OC[C@H]3C[NH2+]CC[C@H]32)c1[N+](=O)[O-] ZINC001163164284 868177619 /nfs/dbraw/zinc/17/76/19/868177619.db2.gz SHOWMYUHVZBXQJ-FOGDFJRCSA-N 1 0 308.338 1.035 20 5 DDBDRO Cc1cc(Cl)c(N[C@]23CC[NH2+][C@H]2CC(=O)N3)c([N+](=O)[O-])c1 ZINC001163253150 868264171 /nfs/dbraw/zinc/26/41/71/868264171.db2.gz CWURMNUPGHHEII-GXFFZTMASA-N 1 0 310.741 1.547 20 5 DDBDRO COc1c(O)ccc(CN[C@@H]2CC[N@H+](CC3CC3)C2)c1[N+](=O)[O-] ZINC001335442052 868299190 /nfs/dbraw/zinc/29/91/90/868299190.db2.gz VWJSTCPDWTWLGM-CYBMUJFWSA-N 1 0 321.377 1.883 20 5 DDBDRO COc1cccc([C@H](C[NH3+])Nc2ncnc(OC)c2[N+](=O)[O-])c1 ZINC001163306035 868331786 /nfs/dbraw/zinc/33/17/86/868331786.db2.gz JVKGFJRMOOSWSF-NSHDSACASA-N 1 0 319.321 1.514 20 5 DDBDRO COc1nc(N[C@@H]2CCO[C@]3(CC[NH2+]C3)C2)nc(C)c1[N+](=O)[O-] ZINC001163312899 868342230 /nfs/dbraw/zinc/34/22/30/868342230.db2.gz WHLXBTXBLZXRFA-QMTHXVAHSA-N 1 0 323.353 1.025 20 5 DDBDRO C[NH+](C)[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)C1(C)C ZINC001163572512 868541833 /nfs/dbraw/zinc/54/18/33/868541833.db2.gz WBVHIRAYNUAMCP-STQMWFEESA-N 1 0 306.366 1.834 20 5 DDBDRO Cc1cc(C[NH3+])nn1-c1ccc([N+](=O)[O-])c2c1CCN(C)C2 ZINC001163986050 868848073 /nfs/dbraw/zinc/84/80/73/868848073.db2.gz PYNFOMFYBONTMU-UHFFFAOYSA-N 1 0 301.350 1.536 20 5 DDBDRO C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@@H]2Oc1ccc([N+](=O)[O-])cc1C(N)=O ZINC001226173994 882251503 /nfs/dbraw/zinc/25/15/03/882251503.db2.gz VTTMPCGUKWSSCR-QHBPRCKVSA-N 1 0 319.361 1.803 20 5 DDBDRO Cc1cc(NCC2([NH+](C)C)CCN(C)CC2)ncc1[N+](=O)[O-] ZINC001164210350 869017330 /nfs/dbraw/zinc/01/73/30/869017330.db2.gz BRIGVIIICLNFRW-UHFFFAOYSA-N 1 0 307.398 1.736 20 5 DDBDRO Cc1cncc([N+](=O)[O-])c1N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC001336836578 869174082 /nfs/dbraw/zinc/17/40/82/869174082.db2.gz IOTRVKKINRNRJA-DGCLKSJQSA-N 1 0 308.407 1.712 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2C[C@H]3CCC[C@@H](C2)C3O)cc1 ZINC001337289147 869417623 /nfs/dbraw/zinc/41/76/23/869417623.db2.gz MJAGDDMYRLENJR-CSOLROPVSA-N 1 0 306.362 1.721 20 5 DDBDRO C[N@@H+]1CCC[C@@H](CCNc2ccc([N+](=O)[O-])c(C(N)=O)n2)C1 ZINC001165260875 869475293 /nfs/dbraw/zinc/47/52/93/869475293.db2.gz KMLSVRJIOOCEGR-JTQLQIEISA-N 1 0 307.354 1.233 20 5 DDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC001337735048 869611060 /nfs/dbraw/zinc/61/10/60/869611060.db2.gz RRJVFKFRLHUQKX-LSDHHAIUSA-N 1 0 318.377 1.993 20 5 DDBDRO C[C@@H](CNC(=O)N[C@@]1(C)CC[NH2+]C1)c1ccccc1[N+](=O)[O-] ZINC001338755179 870152596 /nfs/dbraw/zinc/15/25/96/870152596.db2.gz OSISCGBGWWHVAF-NHYWBVRUSA-N 1 0 306.366 1.750 20 5 DDBDRO Cc1c(C)c(-n2c(=N)sc3c2CC[NH2+]C3)ncc1[N+](=O)[O-] ZINC001166860818 870326361 /nfs/dbraw/zinc/32/63/61/870326361.db2.gz RSDNTWGDZORVRZ-UHFFFAOYSA-N 1 0 305.363 1.584 20 5 DDBDRO CCn1c(CCC[N+](=O)[O-])nnc1N1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC001340012696 870838223 /nfs/dbraw/zinc/83/82/23/870838223.db2.gz TVFQQSITVPWUBU-CHWSQXEVSA-N 1 0 324.429 1.426 20 5 DDBDRO O=C(NC[C@H]1C[NH+]2CCC1CC2)c1cc(F)ccc1[N+](=O)[O-] ZINC001304523583 871221236 /nfs/dbraw/zinc/22/12/36/871221236.db2.gz ACUSTPLRZDFEGD-NSHDSACASA-N 1 0 307.325 1.806 20 5 DDBDRO CC(C)(C)c1ccc(C(=O)N2CC[NH2+]C[C@@H]2CO)cc1[N+](=O)[O-] ZINC001340843460 871385582 /nfs/dbraw/zinc/38/55/82/871385582.db2.gz AUSSNSSORVAVGL-GFCCVEGCSA-N 1 0 321.377 1.299 20 5 DDBDRO COc1cc(C[NH2+][C@H](CO)CC2CCC2)c([N+](=O)[O-])cc1O ZINC001308414101 871498414 /nfs/dbraw/zinc/49/84/14/871498414.db2.gz KECJVWPHPPVPKD-LBPRGKRZSA-N 1 0 310.350 1.950 20 5 DDBDRO C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC001341153053 871530575 /nfs/dbraw/zinc/53/05/75/871530575.db2.gz MAVRDYDTKUSMBL-PZTHBURQSA-N 1 0 303.362 1.752 20 5 DDBDRO COC(=O)N(C)CC[NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC001308864771 871534624 /nfs/dbraw/zinc/53/46/24/871534624.db2.gz ODGBCGIPMVYIFW-UHFFFAOYSA-N 1 0 313.310 1.097 20 5 DDBDRO [NH3+]CC1(CCNC(=O)CCc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC001341307648 871600485 /nfs/dbraw/zinc/60/04/85/871600485.db2.gz XWPMMNGPOPWIDD-UHFFFAOYSA-N 1 0 309.341 1.912 20 5 DDBDRO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)NCc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC001341343888 871614721 /nfs/dbraw/zinc/61/47/21/871614721.db2.gz JFYXXXOYBVLAAJ-QEJZJMRPSA-N 1 0 318.377 1.734 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1C[NH2+]CC1(C)C ZINC001341464295 871668628 /nfs/dbraw/zinc/66/86/28/871668628.db2.gz CSBBBOIYXNHXFF-LBPRGKRZSA-N 1 0 307.350 1.721 20 5 DDBDRO CCCN(C(=O)Cn1c(C)ncc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC001341516253 871690585 /nfs/dbraw/zinc/69/05/85/871690585.db2.gz RIVMNJFKKPAQHO-UHFFFAOYSA-N 1 0 309.370 1.090 20 5 DDBDRO O=C(N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001342186782 872056491 /nfs/dbraw/zinc/05/64/91/872056491.db2.gz HBQHYRFJYWFRFQ-XFZHLKPQSA-N 1 0 301.346 1.707 20 5 DDBDRO C[NH2+]CCOCCNC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001342303897 872138208 /nfs/dbraw/zinc/13/82/08/872138208.db2.gz XUWUOLOICBIKKK-UONOGXRCSA-N 1 0 307.350 1.051 20 5 DDBDRO [NH3+][C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)CC[C@@H]1C(F)(F)F ZINC001342564713 872266511 /nfs/dbraw/zinc/26/65/11/872266511.db2.gz HRAVUCXQEGCCKW-WDEREUQCSA-N 1 0 317.267 1.947 20 5 DDBDRO CO[C@H]1C[NH2+][C@](C)(C(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC001342594134 872285964 /nfs/dbraw/zinc/28/59/64/872285964.db2.gz ZDWLOAWFPFKNLC-YVLXSGLVSA-N 1 0 307.350 1.539 20 5 DDBDRO CC(C)CC[NH+]1CCC(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001319019243 872399709 /nfs/dbraw/zinc/39/97/09/872399709.db2.gz QQDHQIDUQZRYSY-HUUCEWRRSA-N 1 0 311.426 1.916 20 5 DDBDRO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001342940845 872445147 /nfs/dbraw/zinc/44/51/47/872445147.db2.gz HBQHYRFJYWFRFQ-DVLUHMITSA-N 1 0 301.346 1.707 20 5 DDBDRO COCC[C@@H]1C[NH2+]CCN1C(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC001342993433 872462840 /nfs/dbraw/zinc/46/28/40/872462840.db2.gz JIWJWHKULKUPFN-CYBMUJFWSA-N 1 0 321.377 1.662 20 5 DDBDRO CC(C)CNC(=O)C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC001343912728 872803848 /nfs/dbraw/zinc/80/38/48/872803848.db2.gz GWLQHGCONQYNOO-STQMWFEESA-N 1 0 323.397 1.637 20 5 DDBDRO COc1ccc(CC(=O)NC[C@H]2CCCCC[NH2+]2)cc1[N+](=O)[O-] ZINC001345536127 873433995 /nfs/dbraw/zinc/43/39/95/873433995.db2.gz KXOQOBCVEXSRHD-CYBMUJFWSA-N 1 0 321.377 1.794 20 5 DDBDRO C[C@@H](C(=O)N1CC[C@](O)(C[NH+](C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC001347175679 874043885 /nfs/dbraw/zinc/04/38/85/874043885.db2.gz SRVGBWWOPLWLET-WBMJQRKESA-N 1 0 321.377 1.223 20 5 DDBDRO CNc1nccc(C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC001349784650 875365834 /nfs/dbraw/zinc/36/58/34/875365834.db2.gz LENVALQPGXSWMK-NSHDSACASA-N 1 0 319.365 1.342 20 5 DDBDRO CN1CC[C@@H](Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001227498051 883046860 /nfs/dbraw/zinc/04/68/60/883046860.db2.gz KPKOBEHVNDUHIT-MRVPVSSYSA-N 1 0 312.238 1.494 20 5 DDBDRO Cc1cc(NC(=O)c2ccn(CC[NH+](C)C)n2)cc([N+](=O)[O-])c1 ZINC001353486314 877367510 /nfs/dbraw/zinc/36/75/10/877367510.db2.gz QFFFEVGFIUFOGO-UHFFFAOYSA-N 1 0 317.349 1.914 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2C[C@H]2Cc2ccccc2)c1 ZINC001356609914 879130044 /nfs/dbraw/zinc/13/00/44/879130044.db2.gz UJLGBXAJKVGVQR-FVQBIDKESA-N 1 0 316.361 1.373 20 5 DDBDRO CC[N@@H+]1CC[C@@H](OCc2c(C(=O)OC)cccc2[N+](=O)[O-])C1 ZINC001222773192 880693046 /nfs/dbraw/zinc/69/30/46/880693046.db2.gz IJHJJMAVWWEDCR-LLVKDONJSA-N 1 0 308.334 1.992 20 5 DDBDRO CC[N@@H+]1CC[C@H](O[C@@H](C(=O)OC)c2ccccc2[N+](=O)[O-])C1 ZINC001223641647 881038214 /nfs/dbraw/zinc/03/82/14/881038214.db2.gz BWAWFJWQFFSOLE-SMDDNHRTSA-N 1 0 308.334 1.920 20 5 DDBDRO COc1ccc(COC(=O)C[C@@H](O)C[N+](C)(C)C)c(C)c1C ZINC001224212569 881274340 /nfs/dbraw/zinc/27/43/40/881274340.db2.gz BRDYZDBPANCUJX-OAHLLOKOSA-N 1 0 310.414 1.812 20 5 DDBDRO COC(=O)c1c(C)cc(OC(=O)C[C@@H](O)C[N+](C)(C)C)cc1C ZINC001230303523 884416411 /nfs/dbraw/zinc/41/64/11/884416411.db2.gz AMCIGBCEEKNIHK-CYBMUJFWSA-N 1 0 324.397 1.453 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1nccc(-c2ccccc2)n1 ZINC001230548599 884567516 /nfs/dbraw/zinc/56/75/16/884567516.db2.gz IDVJDRAHFNPLNG-CQSZACIVSA-N 1 0 316.381 1.506 20 5 DDBDRO CCOc1ccc(F)cc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001234230318 887772260 /nfs/dbraw/zinc/77/22/60/887772260.db2.gz BCZNALHLHBSRDT-GFCCVEGCSA-N 1 0 300.350 1.587 20 5 DDBDRO C[C@@H](C[N+](C)(C)C)Oc1ncnc2c(Br)cnn21 ZINC001234862137 888230712 /nfs/dbraw/zinc/23/07/12/888230712.db2.gz MQCXGURDZNMEFS-QMMMGPOBSA-N 1 0 315.195 1.360 20 5 DDBDRO COc1ccc(C[C@@H](C)N(C2CC2)C2C[NH2+]C2)c([N+](=O)[O-])c1 ZINC001246864430 892951733 /nfs/dbraw/zinc/95/17/33/892951733.db2.gz OZZRVMUZBYGDNK-LLVKDONJSA-N 1 0 305.378 1.971 20 5 DDBDRO Cc1ccc(CNC(=O)NC[C@@](C)(O)C[NH+](C)C)cc1[N+](=O)[O-] ZINC001254240408 896311458 /nfs/dbraw/zinc/31/14/58/896311458.db2.gz HVJLRVUNZULPCH-OAHLLOKOSA-N 1 0 324.381 1.015 20 5 DDBDRO C[C@H]1C[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@H]1O ZINC001254474693 896456669 /nfs/dbraw/zinc/45/66/69/896456669.db2.gz SVXRQHSQOFNNGX-BLLLJJGKSA-N 1 0 305.378 1.876 20 5 DDBDRO CNC(=O)NC1CC[NH+]([C@@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001254568515 896506251 /nfs/dbraw/zinc/50/62/51/896506251.db2.gz GMLVTFWHANAZBH-LBPRGKRZSA-N 1 0 320.393 1.919 20 5 DDBDRO COC(=O)[C@@]1(C)CC[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254612476 896532969 /nfs/dbraw/zinc/53/29/69/896532969.db2.gz WTGHAYFTYDWFBV-ZBFHGGJFSA-N 1 0 304.346 1.947 20 5 DDBDRO CC(C)Cn1c([C@H](C)[N+](=O)[O-])nnc1N1CC[NH+](C(C)C)CC1 ZINC001263415996 900605369 /nfs/dbraw/zinc/60/53/69/900605369.db2.gz SUIPIUMAQMGLPG-ZDUSSCGKSA-N 1 0 324.429 1.802 20 5 DDBDRO NC(=O)[C@@H]1CCCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000079192529 185161289 /nfs/dbraw/zinc/16/12/89/185161289.db2.gz JJDJNAUJKCBEJH-AWEZNQCLSA-N 1 0 307.350 1.704 20 5 DDBDRO O=[N+]([O-])c1ccccc1OCC[N@H+]1CC[C@@](O)(C(F)F)C1 ZINC000451432902 231093515 /nfs/dbraw/zinc/09/35/15/231093515.db2.gz OPRWQZOGZCNAHA-ZDUSSCGKSA-N 1 0 302.277 1.676 20 5 DDBDRO CO[C@@]1(C)C[C@H]([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)C1(C)C ZINC000451485164 231109197 /nfs/dbraw/zinc/10/91/97/231109197.db2.gz IDTKWUHGDIQRKX-WFASDCNBSA-N 1 0 309.366 1.550 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CC[C@@H](CCCO)C2)c1 ZINC000452135389 231316451 /nfs/dbraw/zinc/31/64/51/231316451.db2.gz VWWUZLUEUSBKAP-HIFRSBDPSA-N 1 0 324.377 1.429 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CC[C@@H](CCCO)C2)c1 ZINC000452135390 231316591 /nfs/dbraw/zinc/31/65/91/231316591.db2.gz VWWUZLUEUSBKAP-UKRRQHHQSA-N 1 0 324.377 1.429 20 5 DDBDRO C[C@H]1[NH2+]CCC[C@H]1NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000278219135 214031617 /nfs/dbraw/zinc/03/16/17/214031617.db2.gz JDYHICWFCBXLAF-BXKDBHETSA-N 1 0 311.313 1.369 20 5 DDBDRO CCOC[C@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090549243 185302538 /nfs/dbraw/zinc/30/25/38/185302538.db2.gz TUJQOAGNSNJDSH-ZDUSSCGKSA-N 1 0 309.366 1.505 20 5 DDBDRO C[NH2+]CCNC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000429098622 290669746 /nfs/dbraw/zinc/66/97/46/290669746.db2.gz ZYZJHOMXLXIJMU-LBPRGKRZSA-N 1 0 320.393 1.780 20 5 DDBDRO COCCC[N@H+](C)CCNC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000255113671 282233354 /nfs/dbraw/zinc/23/33/54/282233354.db2.gz BDECBPOLLZTWIK-FPLPWBNLSA-N 1 0 321.377 1.693 20 5 DDBDRO COCC(C)(C)[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000154862904 290680733 /nfs/dbraw/zinc/68/07/33/290680733.db2.gz CTPDRLUJSRTKPS-UHFFFAOYSA-N 1 0 307.350 1.499 20 5 DDBDRO C[NH+](C)[C@@]1(CNC(=O)c2c(N)cccc2[N+](=O)[O-])CCSC1 ZINC000272655675 282318064 /nfs/dbraw/zinc/31/80/64/282318064.db2.gz NTIFXEMOFJXATK-CQSZACIVSA-N 1 0 324.406 1.344 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)n1 ZINC000457082139 231982531 /nfs/dbraw/zinc/98/25/31/231982531.db2.gz DOWWDCGNNOAHGB-LLVKDONJSA-N 1 0 309.370 1.366 20 5 DDBDRO C[NH2+]C[C@H](C)CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000422825655 529998503 /nfs/dbraw/zinc/99/85/03/529998503.db2.gz KCGSPROTTYIPRZ-JTQLQIEISA-N 1 0 302.334 1.728 20 5 DDBDRO C[NH2+][C@@H](C)Cc1noc(-c2cc(OC)c(F)cc2[N+](=O)[O-])n1 ZINC000414640352 530041366 /nfs/dbraw/zinc/04/13/66/530041366.db2.gz GQHXLLBJCSCBQQ-ZETCQYMHSA-N 1 0 310.285 1.943 20 5 DDBDRO CC[NH+]1CCC(NC(=O)CSc2ccc([N+](=O)[O-])cn2)CC1 ZINC000159695226 290761273 /nfs/dbraw/zinc/76/12/73/290761273.db2.gz YERSVMDCOQXYFA-UHFFFAOYSA-N 1 0 324.406 1.682 20 5 DDBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)N2CCNC2=O)cc1[N+](=O)[O-] ZINC000181817133 199357336 /nfs/dbraw/zinc/35/73/36/199357336.db2.gz ADHVYGHKIFTEQN-SNVBAGLBSA-N 1 0 306.322 1.106 20 5 DDBDRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000272646696 210051430 /nfs/dbraw/zinc/05/14/30/210051430.db2.gz YLZWUTVXZBBIOA-VHSXEESVSA-N 1 0 311.313 1.322 20 5 DDBDRO CC[NH+](CC)CC[C@H](CO)NC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000564353098 303995471 /nfs/dbraw/zinc/99/54/71/303995471.db2.gz ZBHZNBLNTACIGQ-CYBMUJFWSA-N 1 0 323.393 1.726 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000564794233 304013577 /nfs/dbraw/zinc/01/35/77/304013577.db2.gz ZQMAIFXKVSTFIB-HNNXBMFYSA-N 1 0 321.381 1.092 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](C(N)=O)C(C)(C)C ZINC000173342857 186178301 /nfs/dbraw/zinc/17/83/01/186178301.db2.gz GLKFXPQJPUGLLK-ZDUSSCGKSA-N 1 0 322.365 1.331 20 5 DDBDRO CC(C)(O)C[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000189945979 186253133 /nfs/dbraw/zinc/25/31/33/186253133.db2.gz BSFBPXXAWMFSMN-ZDUSSCGKSA-N 1 0 324.377 1.570 20 5 DDBDRO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000262885724 186318945 /nfs/dbraw/zinc/31/89/45/186318945.db2.gz WLDMWPAYTZXIRS-NWDGAFQWSA-N 1 0 307.350 1.573 20 5 DDBDRO CC[C@@H]1CN(c2cc(C)c([N+](=O)[O-])cn2)CC[N@@H+]1C[C@H](C)O ZINC000266849092 186358405 /nfs/dbraw/zinc/35/84/05/186358405.db2.gz QBOPVBYYCFYYRJ-QWHCGFSZSA-N 1 0 308.382 1.580 20 5 DDBDRO C[NH+](C)C[C@H]1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000172077159 198036180 /nfs/dbraw/zinc/03/61/80/198036180.db2.gz VGYCFOOLXLPGNU-LLVKDONJSA-N 1 0 313.379 1.167 20 5 DDBDRO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@@H](OCCO)C2)c1 ZINC000172298880 198073679 /nfs/dbraw/zinc/07/36/79/198073679.db2.gz QHRMWKLIQDYILM-OAHLLOKOSA-N 1 0 310.350 1.447 20 5 DDBDRO CC(C)[NH+]1CCN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CC1 ZINC000026712592 352210405 /nfs/dbraw/zinc/21/04/05/352210405.db2.gz COFUGLUIALAWQA-UHFFFAOYSA-N 1 0 317.349 1.362 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]Cc2ccc(Cl)cc2)c1 ZINC000037883626 352297821 /nfs/dbraw/zinc/29/78/21/352297821.db2.gz RMRNTJYNADSOGY-CYBMUJFWSA-N 1 0 310.741 1.595 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NC1CC[NH+](C)CC1 ZINC000043126984 352362052 /nfs/dbraw/zinc/36/20/52/352362052.db2.gz JGZQTYZLJYULNS-UHFFFAOYSA-N 1 0 308.338 1.819 20 5 DDBDRO CC[NH+]1CCC(NC(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000044019978 352378983 /nfs/dbraw/zinc/37/89/83/352378983.db2.gz BUSFKODFJPSRDJ-UHFFFAOYSA-N 1 0 320.393 1.997 20 5 DDBDRO O=C(COc1ccccc1[N+](=O)[O-])N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000046995086 352475416 /nfs/dbraw/zinc/47/54/16/352475416.db2.gz DHVZYKURDPKTGB-CHWSQXEVSA-N 1 0 319.361 1.717 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[N@@H+](C)C1CC1 ZINC000067717839 353064060 /nfs/dbraw/zinc/06/40/60/353064060.db2.gz HSVGKVAMVXBPOD-UHFFFAOYSA-N 1 0 313.379 1.276 20 5 DDBDRO C[C@H](O)CC[N@H+](C)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000072714446 353210676 /nfs/dbraw/zinc/21/06/76/353210676.db2.gz JRSVQZPDZCJNEG-SMDDNHRTSA-N 1 0 307.350 1.403 20 5 DDBDRO CC[NH+]1CCC(CCNC(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000174126542 198295179 /nfs/dbraw/zinc/29/51/79/198295179.db2.gz HQSJTARMZIMLEA-UHFFFAOYSA-N 1 0 309.370 1.030 20 5 DDBDRO CN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@@H]1CC[NH2+]C1 ZINC000564988168 304033211 /nfs/dbraw/zinc/03/32/11/304033211.db2.gz VERHOXIORCDRNV-GFCCVEGCSA-N 1 0 303.322 1.439 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)NCC[NH+]1CCCCCC1 ZINC000076250031 353408713 /nfs/dbraw/zinc/40/87/13/353408713.db2.gz KLYIBZNMTFXLEB-UHFFFAOYSA-N 1 0 321.377 1.966 20 5 DDBDRO CCC[N@H+](CC)CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000174643868 198364827 /nfs/dbraw/zinc/36/48/27/198364827.db2.gz KLZHNMDTAZWZQP-UHFFFAOYSA-N 1 0 312.345 1.778 20 5 DDBDRO C[N@H+](CCCc1ccccc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174732915 198376952 /nfs/dbraw/zinc/37/69/52/198376952.db2.gz LYTPRIKMITZHMW-INIZCTEOSA-N 1 0 318.377 1.717 20 5 DDBDRO C[C@H](c1cccs1)[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174752891 198379869 /nfs/dbraw/zinc/37/98/69/198379869.db2.gz JXKPKNZWVOZHHW-PWSUYJOCSA-N 1 0 310.379 1.907 20 5 DDBDRO CCc1nn(C)c(N2CC[NH+](C[C@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000091733958 353835378 /nfs/dbraw/zinc/83/53/78/353835378.db2.gz ABZBUZUEWNHQDL-GFCCVEGCSA-N 1 0 323.397 1.049 20 5 DDBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1COC[C@@H]1O ZINC000601292055 358481471 /nfs/dbraw/zinc/48/14/71/358481471.db2.gz QHEBJQCMLXXVOP-WZRBSPASSA-N 1 0 312.391 1.815 20 5 DDBDRO [NH3+][C@H]1CCC[C@H](NS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000125088090 354044493 /nfs/dbraw/zinc/04/44/93/354044493.db2.gz HBHUGBOQLIRJGN-RYUDHWBXSA-N 1 0 313.379 1.284 20 5 DDBDRO CN(CCC[NH3+])C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000158800503 354232026 /nfs/dbraw/zinc/23/20/26/354232026.db2.gz NGCDZFLBBLSOHK-UHFFFAOYSA-N 1 0 315.757 1.824 20 5 DDBDRO Cc1nn(CCC(=O)N2CC[C@H]([NH3+])C[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000237473632 354342479 /nfs/dbraw/zinc/34/24/79/354342479.db2.gz XXNPOHHBURCGFE-SKDRFNHKSA-N 1 0 309.370 1.136 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000319449812 354521564 /nfs/dbraw/zinc/52/15/64/354521564.db2.gz SNSADAZOXRNHLB-UHFFFAOYSA-N 1 0 306.366 1.539 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000320005020 354524896 /nfs/dbraw/zinc/52/48/96/354524896.db2.gz ICOCKBFWNPAOSG-NXEZZACHSA-N 1 0 301.368 1.307 20 5 DDBDRO CN1C[C@@H]([N@H+](C)CCOc2ccc([N+](=O)[O-])cc2)CCC1=O ZINC000584787607 354770037 /nfs/dbraw/zinc/77/00/37/354770037.db2.gz GCSDLYHWRCYLRO-ZDUSSCGKSA-N 1 0 307.350 1.526 20 5 DDBDRO CNC(=O)[C@H]1CCC[C@H]1[NH2+]CCCOc1ccc([N+](=O)[O-])cc1 ZINC000585816776 354853225 /nfs/dbraw/zinc/85/32/25/354853225.db2.gz FQUODIMFSXFVFH-LSDHHAIUSA-N 1 0 321.377 1.868 20 5 DDBDRO C[C@H](CNc1cc(N)c([N+](=O)[O-])c(CO)c1)C[NH+]1CCCC1 ZINC000587352988 354881881 /nfs/dbraw/zinc/88/18/81/354881881.db2.gz GZJFMFBPPVMGPT-LLVKDONJSA-N 1 0 308.382 1.813 20 5 DDBDRO CCc1nn(C)cc1CN(CC[NH3+])c1ccccc1[N+](=O)[O-] ZINC000589190859 354970438 /nfs/dbraw/zinc/97/04/38/354970438.db2.gz JIZJVWNIJIBGRH-UHFFFAOYSA-N 1 0 303.366 1.856 20 5 DDBDRO CN(C(=O)CN1CC[C@@H]2C[N@H+](C)C[C@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000590012325 355040259 /nfs/dbraw/zinc/04/02/59/355040259.db2.gz QWZXLAMFDMQCFV-IUODEOHRSA-N 1 0 318.377 1.194 20 5 DDBDRO C[N@H+]1C[C@H]2[C@@H](CCN2Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000590012853 355041265 /nfs/dbraw/zinc/04/12/65/355041265.db2.gz ZWWMMEGCKZHOJH-HZMBPMFUSA-N 1 0 301.350 1.607 20 5 DDBDRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000590752358 355165388 /nfs/dbraw/zinc/16/53/88/355165388.db2.gz RCDPRQMTSXEUBM-NEPJUHHUSA-N 1 0 308.334 1.905 20 5 DDBDRO CC[C@H]1[C@@H](CO)CC[N@@H+]1Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000590655895 355139120 /nfs/dbraw/zinc/13/91/20/355139120.db2.gz CRLUBNDLXSHCSK-OCCSQVGLSA-N 1 0 322.361 1.974 20 5 DDBDRO Cn1nnnc1CC[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000591347932 355294558 /nfs/dbraw/zinc/29/45/58/355294558.db2.gz GDPOMDJUHBUBLZ-CQSZACIVSA-N 1 0 316.365 1.718 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2C[C@H](CO)C[C@H](C)C2)c1 ZINC000591505240 355322113 /nfs/dbraw/zinc/32/21/13/355322113.db2.gz TUHUIZSJGQFRAO-NWDGAFQWSA-N 1 0 322.361 1.832 20 5 DDBDRO COc1cc(CN[C@@H]2CCC[NH2+]CC2)c([N+](=O)[O-])cc1OC ZINC000591278621 355276857 /nfs/dbraw/zinc/27/68/57/355276857.db2.gz ZEVPLCUQOZOTNW-GFCCVEGCSA-N 1 0 309.366 1.844 20 5 DDBDRO C[C@@H]([NH3+])CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000591279378 355276919 /nfs/dbraw/zinc/27/69/19/355276919.db2.gz XCZIOYJEFXUCCT-ZCFIWIBFSA-N 1 0 304.253 1.665 20 5 DDBDRO COc1cccc(C(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])c1[N+](=O)[O-] ZINC000591676319 355360153 /nfs/dbraw/zinc/36/01/53/355360153.db2.gz MBNIXPIXLQSJSE-ZYHUDNBSSA-N 1 0 307.350 1.803 20 5 DDBDRO CC(C)(C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC000591686256 355362393 /nfs/dbraw/zinc/36/23/93/355362393.db2.gz YTJANGCQESIGAE-RYUDHWBXSA-N 1 0 309.341 1.689 20 5 DDBDRO C[C@@H]1C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC2(CCCC2)O1 ZINC000592196861 355533402 /nfs/dbraw/zinc/53/34/02/355533402.db2.gz ZBTSKBUMEQDYDC-TZMCWYRMSA-N 1 0 324.381 1.186 20 5 DDBDRO CC[C@H]1CN(C(=O)CCn2cc([N+](=O)[O-])nc2C)CC[C@@H]1[NH3+] ZINC000592332188 355561039 /nfs/dbraw/zinc/56/10/39/355561039.db2.gz FNQAYWROTDVBCH-RYUDHWBXSA-N 1 0 309.370 1.076 20 5 DDBDRO CC[C@H]1CN(C(=O)c2cccc(OC)c2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000592331318 355561114 /nfs/dbraw/zinc/56/11/14/355561114.db2.gz IEXYUHHPMWAAQH-JQWIXIFHSA-N 1 0 307.350 1.803 20 5 DDBDRO COC(=O)[C@@H]1C[C@H](O)C[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000592209141 355539053 /nfs/dbraw/zinc/53/90/53/355539053.db2.gz VKGULDRGKUIRCK-SCRDCRAPSA-N 1 0 322.361 1.820 20 5 DDBDRO CCC[C@](C)([NH3+])C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000592276966 355551333 /nfs/dbraw/zinc/55/13/33/355551333.db2.gz KFJSFFYQWWEFEY-AWEZNQCLSA-N 1 0 309.370 1.472 20 5 DDBDRO O=C(N[C@H]1CCC[NH2+]CC1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000592328450 355560515 /nfs/dbraw/zinc/56/05/15/355560515.db2.gz HKSOYBUWLRBAGV-JTQLQIEISA-N 1 0 321.333 1.238 20 5 DDBDRO COC(=O)[C@@H]1C[NH2+]CCCN1Cc1ccc([N+](=O)[O-])cc1C ZINC000592433421 355583133 /nfs/dbraw/zinc/58/31/33/355583133.db2.gz FFYWAJHPCMPVDV-AWEZNQCLSA-N 1 0 307.350 1.240 20 5 DDBDRO CC(C)[NH2+]CCCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000592467940 355591856 /nfs/dbraw/zinc/59/18/56/355591856.db2.gz FNOLQWITFSVJKC-UHFFFAOYSA-N 1 0 309.322 1.441 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000592477271 355593573 /nfs/dbraw/zinc/59/35/73/355593573.db2.gz USYKNYLEFWWDRN-GXFFZTMASA-N 1 0 323.349 1.182 20 5 DDBDRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1Cc1ccccc1[N+](=O)[O-] ZINC000592526257 355612600 /nfs/dbraw/zinc/61/26/00/355612600.db2.gz WNDSTZYSZGXDLO-GFCCVEGCSA-N 1 0 306.366 1.147 20 5 DDBDRO O=[N+]([O-])c1cc2c(cc1-c1nc([C@H]3CCC[NH2+]3)no1)OCO2 ZINC000592356730 355565856 /nfs/dbraw/zinc/56/58/56/355565856.db2.gz GVWITVCSVFKFCV-MRVPVSSYSA-N 1 0 304.262 1.798 20 5 DDBDRO CC[C@H]1CN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC[C@@H]1[NH3+] ZINC000592427699 355580116 /nfs/dbraw/zinc/58/01/16/355580116.db2.gz QPTDJXKCBYRWML-AAEUAGOBSA-N 1 0 321.377 1.925 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@H]1CC[C@@H](CO)CC1 ZINC000592430950 355580939 /nfs/dbraw/zinc/58/09/39/355580939.db2.gz SJJFJWDOJHOEEL-MJBXVCDLSA-N 1 0 324.377 1.475 20 5 DDBDRO COC(=O)CC1([NH2+]Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])CC1 ZINC000593057955 355782488 /nfs/dbraw/zinc/78/24/88/355782488.db2.gz ZZQMUXWOJISEEN-UHFFFAOYSA-N 1 0 322.317 1.567 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)nccc2N1CC[NH+](CCO)CC1 ZINC000593459667 355891642 /nfs/dbraw/zinc/89/16/42/355891642.db2.gz SXHDZTXIICCTOV-UHFFFAOYSA-N 1 0 302.334 1.257 20 5 DDBDRO Cn1cc(C[NH2+][C@@H](CO)CCF)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000593688385 355967142 /nfs/dbraw/zinc/96/71/42/355967142.db2.gz HTGWWHCAUVZEMV-CYBMUJFWSA-N 1 0 322.340 1.805 20 5 DDBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@H](N)CC[NH+](C)C ZINC000593903792 356050813 /nfs/dbraw/zinc/05/08/13/356050813.db2.gz NYDIHOMRPJPNSJ-OAHLLOKOSA-N 1 0 322.409 1.611 20 5 DDBDRO CC(C)(C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1)n1cc([N+](=O)[O-])cn1 ZINC000593912397 356056340 /nfs/dbraw/zinc/05/63/40/356056340.db2.gz NDNGQCNZGJFAHB-NHYWBVRUSA-N 1 0 321.381 1.114 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@H](OC3CCC3)C2)c1 ZINC000594027794 356094142 /nfs/dbraw/zinc/09/41/42/356094142.db2.gz ZVFYKPXMTXZKLD-ZFWWWQNUSA-N 1 0 324.381 1.186 20 5 DDBDRO C[C@H](O)C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000594065806 356103494 /nfs/dbraw/zinc/10/34/94/356103494.db2.gz UZHSQUVKMKCUQO-NSHDSACASA-N 1 0 307.350 1.769 20 5 DDBDRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000594210632 356140240 /nfs/dbraw/zinc/14/02/40/356140240.db2.gz ATBWTFPJPIXNAP-XBXGTLAGSA-N 1 0 306.366 1.734 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000601329411 358500814 /nfs/dbraw/zinc/50/08/14/358500814.db2.gz IDOIRAQZTNITNM-BETUJISGSA-N 1 0 318.377 1.668 20 5 DDBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC000594489826 356235955 /nfs/dbraw/zinc/23/59/55/356235955.db2.gz FDZWDKHFPJWBPJ-ZWNOBZJWSA-N 1 0 310.375 1.606 20 5 DDBDRO CCC(C)(C)[NH+]1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000594389219 356193772 /nfs/dbraw/zinc/19/37/72/356193772.db2.gz GVKXOLPTNKCVQH-UHFFFAOYSA-N 1 0 323.397 1.514 20 5 DDBDRO O=C(NCCNc1ccc([N+](=O)[O-])cc1)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000594425983 356207193 /nfs/dbraw/zinc/20/71/93/356207193.db2.gz NRVYPKBXYRVQHF-ZBFHGGJFSA-N 1 0 318.377 1.513 20 5 DDBDRO Cn1nnc2c1CC[C@@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])C2 ZINC000594511949 356240471 /nfs/dbraw/zinc/24/04/71/356240471.db2.gz ALSMGBZAMHRVSM-RYWCDNDXSA-N 1 0 313.361 1.884 20 5 DDBDRO [NH3+]C[C@H](NC(=O)NCCc1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000594523950 356242543 /nfs/dbraw/zinc/24/25/43/356242543.db2.gz FOZXAIIGYQTUNN-JTQLQIEISA-N 1 0 320.271 1.326 20 5 DDBDRO C[C@H](CCNS(=O)(=O)c1ccc([N+](=O)[O-])s1)[NH+](C)C ZINC000594818694 356326977 /nfs/dbraw/zinc/32/69/77/356326977.db2.gz YHAYEHBXTFFDTD-MRVPVSSYSA-N 1 0 307.397 1.275 20 5 DDBDRO C[C@H]1C[C@H](C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H](C)C1 ZINC000594716227 356294639 /nfs/dbraw/zinc/29/46/39/356294639.db2.gz MLMJGFWHHIAGSK-UKTARXLSSA-N 1 0 310.398 1.814 20 5 DDBDRO C[C@@H]1CCC[C@@H](C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)O1 ZINC000594733043 356301052 /nfs/dbraw/zinc/30/10/52/356301052.db2.gz PRGWMIFCSHNSBT-INWMFGNUSA-N 1 0 324.377 1.882 20 5 DDBDRO Cn1nc(C(F)(F)F)cc1C[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000594930700 356357874 /nfs/dbraw/zinc/35/78/74/356357874.db2.gz HHJLDPIFVBQJQR-UHFFFAOYSA-N 1 0 318.259 1.333 20 5 DDBDRO C[NH2+]C[C@H](C)NS(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC000595119172 356385468 /nfs/dbraw/zinc/38/54/68/356385468.db2.gz ONAVNQSJEVGNIT-JTQLQIEISA-N 1 0 301.368 1.098 20 5 DDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC[C@@H]([NH3+])C(C)C ZINC000595121783 356385969 /nfs/dbraw/zinc/38/59/69/356385969.db2.gz RKJLLKUARRGTTG-LLVKDONJSA-N 1 0 315.395 1.555 20 5 DDBDRO CC(C)[C@H]([NH3+])CCNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000595265070 356426096 /nfs/dbraw/zinc/42/60/96/356426096.db2.gz XNNAHZVOXNMALF-CQSZACIVSA-N 1 0 308.382 1.810 20 5 DDBDRO CCC[N@@H+]1CC[C@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000595357114 356463070 /nfs/dbraw/zinc/46/30/70/356463070.db2.gz YNHHWJOUKPHQHY-NSHDSACASA-N 1 0 313.379 1.357 20 5 DDBDRO C[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1nccn1C ZINC000595382083 356473088 /nfs/dbraw/zinc/47/30/88/356473088.db2.gz CYRPUXNAFKPVAH-VIFPVBQESA-N 1 0 310.335 1.368 20 5 DDBDRO CO[C@H](C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)[C@@H]1CCOC1 ZINC000595479131 356509711 /nfs/dbraw/zinc/50/97/11/356509711.db2.gz COYKCNZOALZEOX-TZMCWYRMSA-N 1 0 324.381 1.480 20 5 DDBDRO O=C1C[C@@H](C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CN1 ZINC000595521969 356532163 /nfs/dbraw/zinc/53/21/63/356532163.db2.gz HHNSATOMPDZWQN-OCCSQVGLSA-N 1 0 303.362 1.910 20 5 DDBDRO CC[N@@H+]1CCCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000595536898 356539181 /nfs/dbraw/zinc/53/91/81/356539181.db2.gz XAMZZABQUBYAQY-GFCCVEGCSA-N 1 0 320.393 1.610 20 5 DDBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](Cn3ccnn3)C2)c(F)c1 ZINC000595608462 356575919 /nfs/dbraw/zinc/57/59/19/356575919.db2.gz QOCXKCFXVNPXGE-LLVKDONJSA-N 1 0 305.313 1.848 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](CO)C1CCC1 ZINC000595616896 356578824 /nfs/dbraw/zinc/57/88/24/356578824.db2.gz OXZJMDPFUFLOJJ-HNNXBMFYSA-N 1 0 321.377 1.982 20 5 DDBDRO CC[NH2+]CCNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000236970282 202100077 /nfs/dbraw/zinc/10/00/77/202100077.db2.gz RHOBDUDOGDDASY-UHFFFAOYSA-N 1 0 316.155 1.697 20 5 DDBDRO C[C@@H]1CC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000595783355 356650790 /nfs/dbraw/zinc/65/07/90/356650790.db2.gz MWDYWEXGRXMKMX-VNHYZAJKSA-N 1 0 324.377 1.834 20 5 DDBDRO Cc1c(NC(=O)CC[N@@H+]2CC[C@@]3(O)C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000595755968 356637498 /nfs/dbraw/zinc/63/74/98/356637498.db2.gz AIKUTPIQUQCJRW-BLLLJJGKSA-N 1 0 319.361 1.689 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC2(COC2)C1 ZINC000595835711 356671376 /nfs/dbraw/zinc/67/13/76/356671376.db2.gz XBKCYAWIPLJJGY-GFCCVEGCSA-N 1 0 308.334 1.057 20 5 DDBDRO CN(CC(=O)N[C@H]1CCC[C@@H]1C[NH3+])c1ccccc1[N+](=O)[O-] ZINC000237075684 202144687 /nfs/dbraw/zinc/14/46/87/202144687.db2.gz UPUIWYODXLAWRJ-NEPJUHHUSA-N 1 0 306.366 1.275 20 5 DDBDRO C[C@H]([NH3+])[C@H](C)Nc1ccc([N+](=O)[O-])c(N2CCOCC2)c1F ZINC000596014651 356746785 /nfs/dbraw/zinc/74/67/85/356746785.db2.gz UMDNNMHPDDLOBF-UWVGGRQHSA-N 1 0 312.345 1.718 20 5 DDBDRO COc1cc(NC[C@H](C)N2CC[NH+](C)CC2)c([N+](=O)[O-])cc1C ZINC000596103294 356772581 /nfs/dbraw/zinc/77/25/81/356772581.db2.gz CZSRNBNOFLGYDA-ZDUSSCGKSA-N 1 0 322.409 1.960 20 5 DDBDRO COCCC[N@H+](C)CCNc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596143228 356789896 /nfs/dbraw/zinc/78/98/96/356789896.db2.gz ZWSIVLBAYHYKJW-UHFFFAOYSA-N 1 0 310.354 1.074 20 5 DDBDRO Cc1nc(N2CCC(CO)([NH2+]CC(C)C)CC2)ccc1[N+](=O)[O-] ZINC000596252939 356833899 /nfs/dbraw/zinc/83/38/99/356833899.db2.gz ODZDLPALESNAHL-UHFFFAOYSA-N 1 0 322.409 1.875 20 5 DDBDRO C[C@@H](CCNC(=O)NCCc1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000596187508 356806259 /nfs/dbraw/zinc/80/62/59/356806259.db2.gz PAKMDQBCLSSMDE-LBPRGKRZSA-N 1 0 308.382 1.777 20 5 DDBDRO C[NH+](C)C[C@@H](CO)Nc1ccc([N+](=O)[O-])cc1Br ZINC000596242335 356829787 /nfs/dbraw/zinc/82/97/87/356829787.db2.gz DNBJGPMBTDIZPA-QMMMGPOBSA-N 1 0 318.171 1.692 20 5 DDBDRO C[C@@H]1C[C@@H](N(C)c2ccc([N+](=O)[O-])c(C(N)=O)c2)CC[N@@H+]1C ZINC000596137026 356787427 /nfs/dbraw/zinc/78/74/27/356787427.db2.gz OCOUWMXJLSARGC-PWSUYJOCSA-N 1 0 306.366 1.613 20 5 DDBDRO C[C@@H](CCNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-])[NH+](C)C ZINC000596423783 356874470 /nfs/dbraw/zinc/87/44/70/356874470.db2.gz BSWPRFFSJLOJCB-VIFPVBQESA-N 1 0 305.338 1.996 20 5 DDBDRO C[NH2+]C[C@@H](C)N[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000596655016 356943457 /nfs/dbraw/zinc/94/34/57/356943457.db2.gz PKKJDMVYRKUIEP-RISCZKNCSA-N 1 0 303.366 1.615 20 5 DDBDRO COc1cc(C(=O)N2CCC[C@@H](C[NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000237235442 202200611 /nfs/dbraw/zinc/20/06/11/202200611.db2.gz SBIYCNRBIQQZTN-JTQLQIEISA-N 1 0 323.349 1.423 20 5 DDBDRO COc1cc(OCC(=O)N2CCC(C[NH3+])CC2)ccc1[N+](=O)[O-] ZINC000237224980 202195393 /nfs/dbraw/zinc/19/53/93/202195393.db2.gz NHMAWWKMMOSEJI-UHFFFAOYSA-N 1 0 323.349 1.180 20 5 DDBDRO CCN(C(=O)c1ccc([N+](=O)[O-])cc1OC)[C@H]1CC[N@H+](C)C1 ZINC000597943990 357393081 /nfs/dbraw/zinc/39/30/81/357393081.db2.gz BMJVVPBLGFJEHV-LBPRGKRZSA-N 1 0 307.350 1.770 20 5 DDBDRO CCN(C(=O)CCn1cc([N+](=O)[O-])cn1)[C@@H]1CC[N@H+](CC)C1 ZINC000598040870 357438395 /nfs/dbraw/zinc/43/83/95/357438395.db2.gz IEBRLNFSCDHNGY-GFCCVEGCSA-N 1 0 309.370 1.124 20 5 DDBDRO CCC[N@@H+]1CC[C@H](NC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000598341646 357544573 /nfs/dbraw/zinc/54/45/73/357544573.db2.gz FFOHHSVQAUMUMV-LBPRGKRZSA-N 1 0 307.350 1.574 20 5 DDBDRO CCC[N@@H+]1CC[C@H](NC(=O)c2cc(OC)ccc2[N+](=O)[O-])C1 ZINC000598342278 357545372 /nfs/dbraw/zinc/54/53/72/357545372.db2.gz LMGHEJPVDZDDOA-NSHDSACASA-N 1 0 307.350 1.818 20 5 DDBDRO COc1cc(C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)ccc1[N+](=O)[O-] ZINC000598669631 357679015 /nfs/dbraw/zinc/67/90/15/357679015.db2.gz KOHUZFQJEWBVJE-NHYWBVRUSA-N 1 0 305.334 1.557 20 5 DDBDRO [NH3+][C@]12CCC[C@@H]1CN(CC(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC000598681818 357684859 /nfs/dbraw/zinc/68/48/59/357684859.db2.gz JRLLNZVYQASBDT-ABAIWWIYSA-N 1 0 304.350 1.347 20 5 DDBDRO Cc1ccc(S(=O)(=O)N(C)[C@H](C)C[NH3+])c(C)c1[N+](=O)[O-] ZINC000598716507 357701932 /nfs/dbraw/zinc/70/19/32/357701932.db2.gz KFTGMIRSMJPVHP-SECBINFHSA-N 1 0 301.368 1.179 20 5 DDBDRO C[NH+](C)C1CC(NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC000598716882 357702530 /nfs/dbraw/zinc/70/25/30/357702530.db2.gz UMGSZNNOQMIEAG-UHFFFAOYSA-N 1 0 302.334 1.899 20 5 DDBDRO C[C@H](Nc1cc(N)c([N+](=O)[O-])c(CO)c1)C1CC[NH+](C)CC1 ZINC000599042342 357800987 /nfs/dbraw/zinc/80/09/87/357800987.db2.gz CPKVLJJAXVKSEW-JTQLQIEISA-N 1 0 308.382 1.812 20 5 DDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000599106138 357817433 /nfs/dbraw/zinc/81/74/33/357817433.db2.gz SIWULRROSSDRNZ-KOLCDFICSA-N 1 0 313.379 1.322 20 5 DDBDRO C[C@H]1CC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])s2)C[NH2+]1 ZINC000599105761 357817680 /nfs/dbraw/zinc/81/76/80/357817680.db2.gz QBKRMRVODVZMOU-JGVFFNPUSA-N 1 0 305.381 1.075 20 5 DDBDRO Cc1nc(N2CCC(C)([NH+]3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000599161056 357833552 /nfs/dbraw/zinc/83/35/52/357833552.db2.gz VTXAKEOHNJKZFX-UHFFFAOYSA-N 1 0 320.393 1.989 20 5 DDBDRO C[NH2+]CCOCCN(C)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000599584627 357984337 /nfs/dbraw/zinc/98/43/37/357984337.db2.gz BEEJXZQZUUAEJK-UHFFFAOYSA-N 1 0 310.354 1.603 20 5 DDBDRO COc1ccc(NC(=O)C[N@H+](C)C[C@H]2C[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC000599671895 358018335 /nfs/dbraw/zinc/01/83/35/358018335.db2.gz KJARKPSPVAHVRM-PHIMTYICSA-N 1 0 323.349 1.245 20 5 DDBDRO Cc1c(NC(=O)NCC[N@@H+]2CC[C@H](O)C2)cccc1[N+](=O)[O-] ZINC000599701487 358032248 /nfs/dbraw/zinc/03/22/48/358032248.db2.gz IZSQLHGKCQSNQV-NSHDSACASA-N 1 0 308.338 1.091 20 5 DDBDRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000599917854 358080096 /nfs/dbraw/zinc/08/00/96/358080096.db2.gz KQTROFGLFREBED-WCBMZHEXSA-N 1 0 318.337 1.021 20 5 DDBDRO COc1cc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)ccc1[N+](=O)[O-] ZINC000600000170 358100947 /nfs/dbraw/zinc/10/09/47/358100947.db2.gz QHRIFTSLDZRMGG-YABSGUDNSA-N 1 0 305.334 1.235 20 5 DDBDRO C[C@@H]([NH2+]CCNC(=O)c1ccn[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000180210138 199130794 /nfs/dbraw/zinc/13/07/94/199130794.db2.gz GRFFODFDBKHRAN-SNVBAGLBSA-N 1 0 303.322 1.399 20 5 DDBDRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)COc3ccccc3[N+](=O)[O-])C[C@@H]12 ZINC000185155316 199816558 /nfs/dbraw/zinc/81/65/58/199816558.db2.gz ZFGGMUVZNQRZTM-IJLUTSLNSA-N 1 0 305.334 1.169 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000600315546 358193729 /nfs/dbraw/zinc/19/37/29/358193729.db2.gz UVTQJTUPOHPTQF-CYBMUJFWSA-N 1 0 323.397 1.338 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000565536242 304074402 /nfs/dbraw/zinc/07/44/02/304074402.db2.gz ZHMCQXDVINCFCV-MJBXVCDLSA-N 1 0 306.362 1.970 20 5 DDBDRO CC(C)(C(=O)NCC[N@@H+]1CC[C@@H](O)C1)c1ccccc1[N+](=O)[O-] ZINC000600531629 358250043 /nfs/dbraw/zinc/25/00/43/358250043.db2.gz HGSVJSABEVBWLB-GFCCVEGCSA-N 1 0 321.377 1.055 20 5 DDBDRO C[NH2+]CCOCCN(C)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000600729810 358299322 /nfs/dbraw/zinc/29/93/22/358299322.db2.gz IEOZBPSGXVGQHJ-LBPRGKRZSA-N 1 0 324.381 1.090 20 5 DDBDRO C[C@H]([NH3+])CCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000237411905 202257849 /nfs/dbraw/zinc/25/78/49/202257849.db2.gz HJIIAFCVKDSMSS-LBPRGKRZSA-N 1 0 306.366 1.371 20 5 DDBDRO O=[N+]([O-])c1ccc2[nH]c(CNC[C@H](O)C[NH+]3CCCC3)nc2c1 ZINC000600734931 358301277 /nfs/dbraw/zinc/30/12/77/358301277.db2.gz RJPCAYKETVGEPU-LBPRGKRZSA-N 1 0 319.365 1.017 20 5 DDBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)C1(C[NH+](C)C)CC1 ZINC000602151903 358850015 /nfs/dbraw/zinc/85/00/15/358850015.db2.gz RIWAMEIXIJIABD-UHFFFAOYSA-N 1 0 305.378 1.938 20 5 DDBDRO CO[C@](C)(C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C1CC1 ZINC000602440497 358977981 /nfs/dbraw/zinc/97/79/81/358977981.db2.gz USXDSKUTIPQBHS-MRXNPFEDSA-N 1 0 320.393 1.927 20 5 DDBDRO CN(CCOCC[NH3+])C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000602559764 359045108 /nfs/dbraw/zinc/04/51/08/359045108.db2.gz QQFRWWAGRKBQFT-UHFFFAOYSA-N 1 0 313.379 1.121 20 5 DDBDRO C[C@@]1(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C[NH2+]CCO1 ZINC000602452268 358986383 /nfs/dbraw/zinc/98/63/83/358986383.db2.gz IBCMWMQHPDQLHP-INIZCTEOSA-N 1 0 321.377 1.412 20 5 DDBDRO O=C(CNc1ccccc1[N+](=O)[O-])N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000602604268 359068237 /nfs/dbraw/zinc/06/82/37/359068237.db2.gz NRZWPOTWQKHNTB-OCCSQVGLSA-N 1 0 318.377 1.607 20 5 DDBDRO CS(=O)(=O)CCCCC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602619458 359077934 /nfs/dbraw/zinc/07/79/34/359077934.db2.gz HVCDNXGSUFTJEU-UHFFFAOYSA-N 1 0 314.407 1.942 20 5 DDBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@@H](CO)c2cccnc2)cc1 ZINC000602663075 359109826 /nfs/dbraw/zinc/10/98/26/359109826.db2.gz SSILPZHVXZLVER-HNNXBMFYSA-N 1 0 301.346 1.898 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CCCCC[C@@H]([NH3+])C2)c1 ZINC000602578625 359053648 /nfs/dbraw/zinc/05/36/48/359053648.db2.gz OSTWJPVPWCTTSU-LLVKDONJSA-N 1 0 307.350 1.947 20 5 DDBDRO O=C(N1C[C@H]2CC[C@@H](C1)[NH2+]2)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000602594708 359060948 /nfs/dbraw/zinc/06/09/48/359060948.db2.gz CLOMRRMHTLVZQE-OKILXGFUSA-N 1 0 315.373 1.979 20 5 DDBDRO C[C@]12C[NH+](Cc3csc([N+](=O)[O-])c3)C[C@]1(C)C(=O)NC2=O ZINC000602733716 359155356 /nfs/dbraw/zinc/15/53/56/359155356.db2.gz YJQCFZDDWMOBKZ-CHWSQXEVSA-N 1 0 309.347 1.141 20 5 DDBDRO Cn1cc(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)c([N+](=O)[O-])n1 ZINC000602822349 359217532 /nfs/dbraw/zinc/21/75/32/359217532.db2.gz RUFPZLWNHUPWMO-JHJVBQTASA-N 1 0 306.366 1.766 20 5 DDBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H]1CCc2ncnn21 ZINC000602832341 359223325 /nfs/dbraw/zinc/22/33/25/359223325.db2.gz UPMLFLLCGUVUBB-ZDUSSCGKSA-N 1 0 301.350 1.848 20 5 DDBDRO Cn1cncc1CC[NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602962519 359325517 /nfs/dbraw/zinc/32/55/17/359325517.db2.gz LPFOBNCXCUNODW-HNNXBMFYSA-N 1 0 304.350 1.368 20 5 DDBDRO CO[C@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@](C)(CO)C1 ZINC000602964529 359327772 /nfs/dbraw/zinc/32/77/72/359327772.db2.gz QZKMVBBUWMCDFW-CABCVRRESA-N 1 0 310.350 1.445 20 5 DDBDRO CO[C@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)[C@@](C)(CO)C1 ZINC000602965035 359329154 /nfs/dbraw/zinc/32/91/54/359329154.db2.gz YDDXYAJCFPXIQG-HUUCEWRRSA-N 1 0 310.350 1.445 20 5 DDBDRO COCC[NH2+]CCc1cn(Cc2c(F)cccc2[N+](=O)[O-])nn1 ZINC000603201054 359476499 /nfs/dbraw/zinc/47/64/99/359476499.db2.gz FALLHEMVWBDCMG-UHFFFAOYSA-N 1 0 323.328 1.152 20 5 DDBDRO C[C@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC[C@@H]1O ZINC000186879230 200026314 /nfs/dbraw/zinc/02/63/14/200026314.db2.gz FJBBQDJVHUNRMA-FZMZJTMJSA-N 1 0 307.350 1.626 20 5 DDBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000187007392 200046235 /nfs/dbraw/zinc/04/62/35/200046235.db2.gz LGRKVBSWWMXUKK-GHMZBOCLSA-N 1 0 322.365 1.546 20 5 DDBDRO Cn1cc(CN(CC[NH3+])CCc2ccccc2)c([N+](=O)[O-])n1 ZINC000603429202 359634887 /nfs/dbraw/zinc/63/48/87/359634887.db2.gz MMVOQHKLHUGENK-UHFFFAOYSA-N 1 0 303.366 1.332 20 5 DDBDRO Cc1cc(OCC(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000281095453 216076893 /nfs/dbraw/zinc/07/68/93/216076893.db2.gz RXINFMKIJCYETJ-BETUJISGSA-N 1 0 319.361 1.302 20 5 DDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000188366640 200234939 /nfs/dbraw/zinc/23/49/39/200234939.db2.gz GHONSLBDJQMUBV-UHFFFAOYSA-N 1 0 315.333 1.236 20 5 DDBDRO Cc1cc(OCC(=O)N(C)CC[N@H+](C)C2CC2)ccc1[N+](=O)[O-] ZINC000281121435 216093173 /nfs/dbraw/zinc/09/31/73/216093173.db2.gz ULBQKCWDMTVKFE-UHFFFAOYSA-N 1 0 321.377 1.835 20 5 DDBDRO [NH3+]C1CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC1 ZINC000237847906 202368933 /nfs/dbraw/zinc/36/89/33/202368933.db2.gz SBLDIJVDEBMKJK-UHFFFAOYSA-N 1 0 304.350 1.732 20 5 DDBDRO Cn1nnnc1CC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000618571445 363678011 /nfs/dbraw/zinc/67/80/11/363678011.db2.gz QVLPNELOVBZJRV-CYBMUJFWSA-N 1 0 302.338 1.328 20 5 DDBDRO [NH3+]C[C@@H]1CCCCN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000237825730 202364050 /nfs/dbraw/zinc/36/40/50/202364050.db2.gz OTAUJAUPTFOKNP-LBPRGKRZSA-N 1 0 306.366 1.737 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH+]2CCC(CCO)CC2)c1 ZINC000609312331 360291846 /nfs/dbraw/zinc/29/18/46/360291846.db2.gz PBGIOXDMSBMEAY-OAHLLOKOSA-N 1 0 324.377 1.429 20 5 DDBDRO O=C1N[C@H]2CC[N@@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)C[C@@H]2CO1 ZINC000281201897 216150794 /nfs/dbraw/zinc/15/07/94/216150794.db2.gz CLXHUEQMRUVWRN-KWCYVHTRSA-N 1 0 321.333 1.059 20 5 DDBDRO COCC[N@@H+]1CC[C@H](NC(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000609919667 360364700 /nfs/dbraw/zinc/36/47/00/360364700.db2.gz WWQNTAJVGAJIJP-ZDUSSCGKSA-N 1 0 322.365 1.115 20 5 DDBDRO O=C([C@@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1)N1CCCC1 ZINC000610453353 360440624 /nfs/dbraw/zinc/44/06/24/360440624.db2.gz XFYNYNWNQLZZJA-CYBMUJFWSA-N 1 0 321.381 1.126 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c1 ZINC000610677393 360501996 /nfs/dbraw/zinc/50/19/96/360501996.db2.gz AEQYLHVPPQVUET-GOEBONIOSA-N 1 0 305.378 1.939 20 5 DDBDRO CC[N@@H+]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H]1C ZINC000611092457 360620694 /nfs/dbraw/zinc/62/06/94/360620694.db2.gz UQRMQOSOMUEWKW-LLVKDONJSA-N 1 0 306.366 1.220 20 5 DDBDRO CC[N@@H+]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@H]1C ZINC000611092425 360621900 /nfs/dbraw/zinc/62/19/00/360621900.db2.gz UESDFZPNADHCDF-CYBMUJFWSA-N 1 0 320.393 1.868 20 5 DDBDRO C[NH2+]C[C@@H]1CCN([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000430932429 283571271 /nfs/dbraw/zinc/57/12/71/283571271.db2.gz GMXMCQJDPABRRH-RYUDHWBXSA-N 1 0 306.366 1.463 20 5 DDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000611528070 360749158 /nfs/dbraw/zinc/74/91/58/360749158.db2.gz BPJFSVPSCRHTDX-NSHDSACASA-N 1 0 304.350 1.391 20 5 DDBDRO C[C@@H]([NH3+])[C@@H]1CCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000063193845 296024213 /nfs/dbraw/zinc/02/42/13/296024213.db2.gz ODGFFQLLJPKTHC-MFKMUULPSA-N 1 0 313.379 1.485 20 5 DDBDRO Cc1cc([N+](=O)[O-])nn1C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000612605180 361079287 /nfs/dbraw/zinc/07/92/87/361079287.db2.gz IELZJPXQHKJIQA-AWEZNQCLSA-N 1 0 304.350 1.593 20 5 DDBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@]1(O)CCOC1)C1CC1 ZINC000090848505 192937756 /nfs/dbraw/zinc/93/77/56/192937756.db2.gz PVKFMZQYTAHQQW-GOEBONIOSA-N 1 0 306.362 1.657 20 5 DDBDRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000619566995 364063609 /nfs/dbraw/zinc/06/36/09/364063609.db2.gz GUILFSCCCUILBY-CYBMUJFWSA-N 1 0 321.377 1.916 20 5 DDBDRO Nc1c(C(=O)NCC23CCC[NH+]2CCC3)cc(F)cc1[N+](=O)[O-] ZINC000619574159 364067109 /nfs/dbraw/zinc/06/71/09/364067109.db2.gz WGMLFCRPUDIULP-UHFFFAOYSA-N 1 0 322.340 1.674 20 5 DDBDRO O=C(CC[N@@H+](CCCO)C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000619718055 364129458 /nfs/dbraw/zinc/12/94/58/364129458.db2.gz SIVFEZHQNBNKAV-UHFFFAOYSA-N 1 0 307.350 1.770 20 5 DDBDRO CNc1ccc(C(=O)NC[C@@]2(COC)CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000566204611 304128496 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ZINC000264954366 204300819 /nfs/dbraw/zinc/30/08/19/204300819.db2.gz VCLHFWKWQWDHLX-LLVKDONJSA-N 1 0 323.397 1.875 20 5 DDBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000265028007 204351815 /nfs/dbraw/zinc/35/18/15/204351815.db2.gz XAOGHFNITUKAIH-CYBMUJFWSA-N 1 0 323.397 1.480 20 5 DDBDRO CC[N@@H+]1CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000288205036 220016988 /nfs/dbraw/zinc/01/69/88/220016988.db2.gz CAXGOXISPFUSLE-ZDUSSCGKSA-N 1 0 321.377 1.916 20 5 DDBDRO COc1ccc(NC(=O)NC[C@@H]2CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000274879553 212003972 /nfs/dbraw/zinc/00/39/72/212003972.db2.gz HTFCEOYJEXLGRG-JTQLQIEISA-N 1 0 308.338 1.677 20 5 DDBDRO COC(=O)CC[C@H]([NH3+])C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000288507485 220187285 /nfs/dbraw/zinc/18/72/85/220187285.db2.gz BQLGDWCWDQEJKD-PWSUYJOCSA-N 1 0 323.349 1.361 20 5 DDBDRO COc1cc(C(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000390191489 307293549 /nfs/dbraw/zinc/29/35/49/307293549.db2.gz 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ZINC000567648393 304231983 /nfs/dbraw/zinc/23/19/83/304231983.db2.gz LEOQPGVDCADQEK-CHWSQXEVSA-N 1 0 309.366 1.330 20 5 DDBDRO CNC(=O)NC(=O)CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000064349999 184295552 /nfs/dbraw/zinc/29/55/52/184295552.db2.gz QNFGPBZLBHPTDR-UHFFFAOYSA-N 1 0 322.365 1.651 20 5 DDBDRO C[C@@H](NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[C@H]1CCC[NH2+]C1 ZINC000269159272 207284420 /nfs/dbraw/zinc/28/44/20/207284420.db2.gz APJHZENUJBSFQX-ZJUUUORDSA-N 1 0 317.349 1.589 20 5 DDBDRO C[C@@H](NC(=O)CNc1ccccc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000269175478 207295801 /nfs/dbraw/zinc/29/58/01/207295801.db2.gz GVNVKTRCLLPAPA-NEPJUHHUSA-N 1 0 306.366 1.511 20 5 DDBDRO C[C@@H](NC(=O)CN(C)c1ccccc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000269220427 207339937 /nfs/dbraw/zinc/33/99/37/207339937.db2.gz SESODGJQQUNSRU-OLZOCXBDSA-N 1 0 320.393 1.535 20 5 DDBDRO C[NH2+][C@H](C)Cc1noc(-c2cc(OC)c(OC)cc2[N+](=O)[O-])n1 ZINC000261697194 207366102 /nfs/dbraw/zinc/36/61/02/207366102.db2.gz 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285444135 /nfs/dbraw/zinc/44/41/35/285444135.db2.gz NMTMXRSHNCYARC-UHFFFAOYSA-N 1 0 321.333 1.609 20 5 DDBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H](CO)C1CC1 ZINC000353486759 285762693 /nfs/dbraw/zinc/76/26/93/285762693.db2.gz YUXIRQTWEHESFD-WCQYABFASA-N 1 0 321.377 1.920 20 5 DDBDRO Cc1ccnc([C@@H]2CC[N@H+](CCn3cc([N+](=O)[O-])cn3)C2)c1 ZINC000569739209 304376165 /nfs/dbraw/zinc/37/61/65/304376165.db2.gz LHQSCHXQXSSHPZ-CYBMUJFWSA-N 1 0 301.350 1.984 20 5 DDBDRO C[C@H](Cc1cccc(O)c1)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000570081524 304394571 /nfs/dbraw/zinc/39/45/71/304394571.db2.gz CUQCHTWOSNIWOY-ABAIWWIYSA-N 1 0 320.349 1.079 20 5 DDBDRO C[C@@]1(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CCC(=O)N1 ZINC000570564442 304415123 /nfs/dbraw/zinc/41/51/23/304415123.db2.gz QJKDNYJLAVNVGR-HNNXBMFYSA-N 1 0 320.349 1.182 20 5 DDBDRO C[N@H+](CCNC(=O)Cn1ccc([N+](=O)[O-])n1)C1CCCCC1 ZINC000068899947 406669853 /nfs/dbraw/zinc/66/98/53/406669853.db2.gz USPRWOBORLEFDZ-UHFFFAOYSA-N 1 0 309.370 1.172 20 5 DDBDRO CC(C)[C@@H](CNc1ncccc1[N+](=O)[O-])[NH+]1CCN(C)CC1 ZINC000045851952 407049601 /nfs/dbraw/zinc/04/96/01/407049601.db2.gz CMFBKZHZJSNQHI-CQSZACIVSA-N 1 0 307.398 1.674 20 5 DDBDRO O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CC[NH2+]CC1 ZINC000082086296 407080504 /nfs/dbraw/zinc/08/05/04/407080504.db2.gz AZUBVSJICMGCOP-UHFFFAOYSA-N 1 0 318.358 1.764 20 5 DDBDRO CNC(=O)C1CC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000055900455 407208077 /nfs/dbraw/zinc/20/80/77/407208077.db2.gz NBLJTMGVBNQUOB-UHFFFAOYSA-N 1 0 321.377 1.822 20 5 DDBDRO CN(CC[NH+]1CCCC1)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000103117963 407331480 /nfs/dbraw/zinc/33/14/80/407331480.db2.gz AMRMNIGIDNNIIY-UHFFFAOYSA-N 1 0 317.349 1.639 20 5 DDBDRO C[NH+](C)C1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000068079699 407294412 /nfs/dbraw/zinc/29/44/12/407294412.db2.gz IQJQLTBJSQHBPL-UHFFFAOYSA-N 1 0 317.349 1.637 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)NCC2CC[NH+](C)CC2)c1 ZINC000101522445 407309790 /nfs/dbraw/zinc/30/97/90/407309790.db2.gz QHCWVHFKBFNNPD-UHFFFAOYSA-N 1 0 307.350 1.675 20 5 DDBDRO Cc1cc(C(=O)NC2CC[NH+](C3CC3)CC2)c(N)c([N+](=O)[O-])c1 ZINC000104139683 407347982 /nfs/dbraw/zinc/34/79/82/407347982.db2.gz JLEAEANDIFHCQP-UHFFFAOYSA-N 1 0 318.377 1.842 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](C[NH3+])CC(C)C ZINC000109705704 407397618 /nfs/dbraw/zinc/39/76/18/407397618.db2.gz BLHQMJKUUADTEA-NSHDSACASA-N 1 0 315.395 1.555 20 5 DDBDRO CNC(=O)[C@@H]1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000111262950 407402925 /nfs/dbraw/zinc/40/29/25/407402925.db2.gz QWIJDSXXOHTKFC-GFCCVEGCSA-N 1 0 307.350 1.432 20 5 DDBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH2+]C[C@@H]1C ZINC000126199959 407407464 /nfs/dbraw/zinc/40/74/64/407407464.db2.gz ANUZUVLFGFOMBW-WDEREUQCSA-N 1 0 309.391 1.896 20 5 DDBDRO O=C(NC1CC[NH+](C2CCCCC2)CC1)c1[nH]ncc1[N+](=O)[O-] ZINC000127330617 407433967 /nfs/dbraw/zinc/43/39/67/407433967.db2.gz QSMOMDWADOKXPB-UHFFFAOYSA-N 1 0 321.381 1.845 20 5 DDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](C[NH3+])C2)cc1OC ZINC000178538023 407483600 /nfs/dbraw/zinc/48/36/00/407483600.db2.gz RKJBSLZOMXJJPZ-SNVBAGLBSA-N 1 0 323.349 1.423 20 5 DDBDRO C[C@@H](C[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000266541449 407552115 /nfs/dbraw/zinc/55/21/15/407552115.db2.gz QCHAPEJHYKOPMU-BBRMVZONSA-N 1 0 318.377 1.888 20 5 DDBDRO C[NH2+][C@@H]1CCCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000261671294 407574329 /nfs/dbraw/zinc/57/43/29/407574329.db2.gz CAWIQRAQJAPZNI-DGCLKSJQSA-N 1 0 306.366 1.606 20 5 DDBDRO COc1cc(CN2CC[C@@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])cc1OC ZINC000261692606 407580141 /nfs/dbraw/zinc/58/01/41/407580141.db2.gz AZDNQAFKTJTSDJ-MRXNPFEDSA-N 1 0 321.377 1.797 20 5 DDBDRO C[NH2+]CC1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000152210389 407586808 /nfs/dbraw/zinc/58/68/08/407586808.db2.gz FKJNBMNDSVKAIE-UHFFFAOYSA-N 1 0 307.350 1.432 20 5 DDBDRO C[NH+](C)[C@@H]1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000170863850 407534845 /nfs/dbraw/zinc/53/48/45/407534845.db2.gz OQTWPIKJNXMVOU-LLVKDONJSA-N 1 0 302.334 1.852 20 5 DDBDRO C[N@H+](C[C@@H]1CCOC1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000178780309 407598255 /nfs/dbraw/zinc/59/82/55/407598255.db2.gz FHUVDBOOGVKANM-SWLSCSKDSA-N 1 0 319.361 1.668 20 5 DDBDRO CC(C)([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000266752273 407622098 /nfs/dbraw/zinc/62/20/98/407622098.db2.gz QEARNLYGKFXSAA-AWEZNQCLSA-N 1 0 304.350 1.677 20 5 DDBDRO CCCc1n[nH]c(C(=O)N2CCC([C@@H](C)[NH3+])CC2)c1[N+](=O)[O-] ZINC000178850782 407624667 /nfs/dbraw/zinc/62/46/67/407624667.db2.gz RBIVBPFDJCSFLE-SECBINFHSA-N 1 0 309.370 1.470 20 5 DDBDRO NC(=O)c1ccc(CN2CCCC[C@@H]2CC[NH3+])c([N+](=O)[O-])c1 ZINC000261841849 407637443 /nfs/dbraw/zinc/63/74/43/407637443.db2.gz CRKLHYXGYFRAKE-CYBMUJFWSA-N 1 0 306.366 1.397 20 5 DDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000261967435 407696687 /nfs/dbraw/zinc/69/66/87/407696687.db2.gz YMPFYPFMMPIDDU-CQSZACIVSA-N 1 0 319.365 1.106 20 5 DDBDRO Cc1c(CNC(=O)COC2CC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000261980427 407697749 /nfs/dbraw/zinc/69/77/49/407697749.db2.gz AIFCWHYWJWZXRA-UHFFFAOYSA-N 1 0 307.350 1.288 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N[C@H](C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000267195602 407783916 /nfs/dbraw/zinc/78/39/16/407783916.db2.gz KTIKWOCDGBQLOF-SECBINFHSA-N 1 0 324.337 1.881 20 5 DDBDRO CCN(C)C(=O)CC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000153512032 407841177 /nfs/dbraw/zinc/84/11/77/407841177.db2.gz BBJXIGPASNABMT-GFCCVEGCSA-N 1 0 321.381 1.344 20 5 DDBDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000272232698 407827254 /nfs/dbraw/zinc/82/72/54/407827254.db2.gz JYJXBDIBTAVRIM-NWDGAFQWSA-N 1 0 306.366 1.593 20 5 DDBDRO CC[NH2+][C@H](C)CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1CC ZINC000262429952 407834931 /nfs/dbraw/zinc/83/49/31/407834931.db2.gz DTHLVDMJPKPRTQ-SNVBAGLBSA-N 1 0 315.395 1.434 20 5 DDBDRO Cc1ccc(NCCCNC(=O)[C@@H]2CCC[C@@H]2[NH3+])c([N+](=O)[O-])c1 ZINC000237667653 407835247 /nfs/dbraw/zinc/83/52/47/407835247.db2.gz SDZQHSRIGKQWEM-OLZOCXBDSA-N 1 0 320.393 1.949 20 5 DDBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272336842 407873352 /nfs/dbraw/zinc/87/33/52/407873352.db2.gz MLXBGIVGXBNKDP-GFCCVEGCSA-N 1 0 313.304 1.897 20 5 DDBDRO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000238068278 407880003 /nfs/dbraw/zinc/88/00/03/407880003.db2.gz OXIPQQVHZJAGPQ-SKDRFNHKSA-N 1 0 311.313 1.356 20 5 DDBDRO CC(C)NC(=O)CC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173470802 407882448 /nfs/dbraw/zinc/88/24/48/407882448.db2.gz XFEOEDCLGOGLQS-LBPRGKRZSA-N 1 0 321.381 1.391 20 5 DDBDRO C[C@H]1CN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000153714540 407884433 /nfs/dbraw/zinc/88/44/33/407884433.db2.gz SNBFZVITXNTYRK-RYUDHWBXSA-N 1 0 306.366 1.240 20 5 DDBDRO CC[N@@H+]1CCCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000118827024 407948382 /nfs/dbraw/zinc/94/83/82/407948382.db2.gz HFVOEAYYINJYEI-ZDUSSCGKSA-N 1 0 320.393 1.949 20 5 DDBDRO Cc1c(CC(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)cccc1[N+](=O)[O-] ZINC000272520980 407961575 /nfs/dbraw/zinc/96/15/75/407961575.db2.gz PWWGFRJQIGPQFO-BBRMVZONSA-N 1 0 317.389 1.998 20 5 DDBDRO COc1ccc(C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000268242968 407964126 /nfs/dbraw/zinc/96/41/26/407964126.db2.gz VGABIQLVQBMZAW-GWCFXTLKSA-N 1 0 319.361 1.816 20 5 DDBDRO COc1cc(OCC(=O)N[C@H]2CC[NH2+]C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000262920800 407970086 /nfs/dbraw/zinc/97/00/86/407970086.db2.gz ZHQPLIUYPOLVMH-JQWIXIFHSA-N 1 0 323.349 1.096 20 5 DDBDRO Cc1nn(CCC(=O)N[C@H]2CC[NH2+][C@@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000262922783 407972262 /nfs/dbraw/zinc/97/22/62/407972262.db2.gz RWJUXQIAHWZZJQ-CABZTGNLSA-N 1 0 309.370 1.055 20 5 DDBDRO Cc1cc(S(=O)(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000262747782 407914687 /nfs/dbraw/zinc/91/46/87/407914687.db2.gz AXKPAAXWGNLUPK-WDEREUQCSA-N 1 0 313.379 1.322 20 5 DDBDRO CCCc1n[nH]c(C(=O)N2CC[C@H]([NH+](CC)CC)C2)c1[N+](=O)[O-] ZINC000174120546 407918670 /nfs/dbraw/zinc/91/86/70/407918670.db2.gz NAWNDYRJJGMMJQ-NSHDSACASA-N 1 0 323.397 1.827 20 5 DDBDRO C[C@H]1C[NH2+]CC[C@H]1NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000262769014 407923221 /nfs/dbraw/zinc/92/32/21/407923221.db2.gz LQIVWENWIVMEMN-WCBMZHEXSA-N 1 0 317.342 1.010 20 5 DDBDRO CN(CC1([NH+](C)C)CCC1)C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000189513842 408039770 /nfs/dbraw/zinc/03/97/70/408039770.db2.gz NZZYSQPYRZPJDH-UHFFFAOYSA-N 1 0 306.366 1.733 20 5 DDBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)CN2CCOCC2)cc1[N+](=O)[O-] ZINC000181830941 408043916 /nfs/dbraw/zinc/04/39/16/408043916.db2.gz XGFWDNLRUCQRMJ-UKRRQHHQSA-N 1 0 323.393 1.247 20 5 DDBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CCCOCCO)C1CC1 ZINC000272590335 407998709 /nfs/dbraw/zinc/99/87/09/407998709.db2.gz RWWQMAVDZVEKTO-HNNXBMFYSA-N 1 0 308.378 1.905 20 5 DDBDRO Cc1nc(N2CC[NH+](C[C@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000268458888 408052794 /nfs/dbraw/zinc/05/27/94/408052794.db2.gz HHYYZGPELYVOJU-CYBMUJFWSA-N 1 0 306.366 1.457 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(N)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000272596237 408001686 /nfs/dbraw/zinc/00/16/86/408001686.db2.gz IMISXLNLOUTTKI-YGRLFVJLSA-N 1 0 304.350 1.343 20 5 DDBDRO CC[C@@H]1C[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000273121061 408065057 /nfs/dbraw/zinc/06/50/57/408065057.db2.gz HMMOILAFVIHNSM-YRGRVCCFSA-N 1 0 310.350 1.037 20 5 DDBDRO C[C@@H](O)CN(C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000245778838 408068176 /nfs/dbraw/zinc/06/81/76/408068176.db2.gz LWQMDCPVJAABLM-RKDXNWHRSA-N 1 0 315.757 1.888 20 5 DDBDRO CC(C)(O)[C@H]1CCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182224872 408100147 /nfs/dbraw/zinc/10/01/47/408100147.db2.gz BXARNSSQBODSOK-SWLSCSKDSA-N 1 0 324.377 1.570 20 5 DDBDRO C[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCSC1 ZINC000182259727 408111112 /nfs/dbraw/zinc/11/11/12/408111112.db2.gz RLDNYIMREMTOMM-NEPJUHHUSA-N 1 0 312.391 1.772 20 5 DDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000246206935 408176772 /nfs/dbraw/zinc/17/67/72/408176772.db2.gz AARMECHHBSQGDS-DOMZBBRYSA-N 1 0 318.377 1.702 20 5 DDBDRO CCc1n[nH]c(C(=O)NCCC[N@@H+]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000263650788 408189052 /nfs/dbraw/zinc/18/90/52/408189052.db2.gz GTNLQRBKMGYRHH-NSHDSACASA-N 1 0 323.397 1.875 20 5 DDBDRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000269297254 408256670 /nfs/dbraw/zinc/25/66/70/408256670.db2.gz WLSXNOCPFRHSCJ-NXEZZACHSA-N 1 0 322.321 1.702 20 5 DDBDRO CCOC(=O)C[C@@H](C)[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000182625916 408208895 /nfs/dbraw/zinc/20/88/95/408208895.db2.gz QOBRXDPWTZDNBD-LLVKDONJSA-N 1 0 311.338 1.030 20 5 DDBDRO C[C@H](Cn1cccn1)[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000263709817 408217448 /nfs/dbraw/zinc/21/74/48/408217448.db2.gz TVWUMNMDNVKRJG-LLVKDONJSA-N 1 0 318.333 1.836 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)NCC[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000269342842 408276551 /nfs/dbraw/zinc/27/65/51/408276551.db2.gz DMALOXSSVQAFDH-UHFFFAOYSA-N 1 0 323.397 1.903 20 5 DDBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)C1(CO)CCOCC1 ZINC000191027638 408361558 /nfs/dbraw/zinc/36/15/58/408361558.db2.gz MXISDSAKSDEWLF-UHFFFAOYSA-N 1 0 310.350 1.447 20 5 DDBDRO COc1cc(OCC(=O)NCC[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000172126695 162259129 /nfs/dbraw/zinc/25/91/29/162259129.db2.gz VLSBVMJSVHVTBQ-UHFFFAOYSA-N 1 0 323.349 1.194 20 5 DDBDRO C[C@H](C[NH3+])NC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1 ZINC000274379564 408384683 /nfs/dbraw/zinc/38/46/83/408384683.db2.gz ALHFLXGYQDYVMA-GFCCVEGCSA-N 1 0 320.393 1.908 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1CN1CCc2nn(C)c(=O)cc2C1 ZINC000183376735 408393796 /nfs/dbraw/zinc/39/37/96/408393796.db2.gz WKOCYRFOOGVRMF-UHFFFAOYSA-N 1 0 314.345 1.555 20 5 DDBDRO Nc1nc(NCC2([NH+]3CCCC3)CCOCC2)ncc1[N+](=O)[O-] ZINC000264295107 408432828 /nfs/dbraw/zinc/43/28/28/408432828.db2.gz QSEVTANYQARAPK-UHFFFAOYSA-N 1 0 322.369 1.024 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(C)[C@@H](C[NH3+])C1CC1 ZINC000159915114 408444629 /nfs/dbraw/zinc/44/46/29/408444629.db2.gz WFYARWVJRQFHFJ-LBPRGKRZSA-N 1 0 313.379 1.261 20 5 DDBDRO COc1cc(C(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000177094004 408516504 /nfs/dbraw/zinc/51/65/04/408516504.db2.gz IWCMWSZXSGEZSB-JQWIXIFHSA-N 1 0 319.361 1.958 20 5 DDBDRO COc1cc(C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000177094021 408517162 /nfs/dbraw/zinc/51/71/62/408517162.db2.gz IWCMWSZXSGEZSB-ZYHUDNBSSA-N 1 0 319.361 1.958 20 5 DDBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C[C@@H](O)C1CC1 ZINC000160834784 408530002 /nfs/dbraw/zinc/53/00/02/408530002.db2.gz QVYJPWWUFGRZFH-CQSZACIVSA-N 1 0 307.350 1.626 20 5 DDBDRO O=[N+]([O-])c1cccc(C[N@H+](CCO)CCOCC(F)(F)F)c1 ZINC000264891203 408549160 /nfs/dbraw/zinc/54/91/60/408549160.db2.gz SNMYGTPWJNZLSD-UHFFFAOYSA-N 1 0 322.283 1.968 20 5 DDBDRO C[NH+](C)[C@@H]1CCCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000270518379 408560063 /nfs/dbraw/zinc/56/00/63/408560063.db2.gz MJRUOGDJLOLILC-OAHLLOKOSA-N 1 0 320.393 1.873 20 5 DDBDRO C[C@@H]([NH3+])[C@@H](C)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000192068427 408538574 /nfs/dbraw/zinc/53/85/74/408538574.db2.gz BHUQWGFFWLIKHJ-VXGBXAGGSA-N 1 0 321.377 1.948 20 5 DDBDRO C[NH+](C)CCc1ccccc1NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000275656361 408634058 /nfs/dbraw/zinc/63/40/58/408634058.db2.gz NPEAPVYCFQWRKO-UHFFFAOYSA-N 1 0 317.349 1.534 20 5 DDBDRO C[C@@H](CN1CC[NH+](C)CC1)Nc1ncc([N+](=O)[O-])cc1Cl ZINC000265483971 408668250 /nfs/dbraw/zinc/66/82/50/408668250.db2.gz DUJMAUFVWZUTQI-JTQLQIEISA-N 1 0 313.789 1.691 20 5 DDBDRO C[NH+](C)C1(CNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CCC1 ZINC000275960502 408731021 /nfs/dbraw/zinc/73/10/21/408731021.db2.gz KMMVXPTWCPYICJ-UHFFFAOYSA-N 1 0 321.333 1.538 20 5 DDBDRO C[C@@H]1CCC[C@@](CNC(=O)Cn2cc([N+](=O)[O-])cn2)([NH+](C)C)C1 ZINC000193675679 408736336 /nfs/dbraw/zinc/73/63/36/408736336.db2.gz UXYFPKYBNSMFJM-IUODEOHRSA-N 1 0 323.397 1.418 20 5 DDBDRO Cn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)n1 ZINC000270781356 408679466 /nfs/dbraw/zinc/67/94/66/408679466.db2.gz KDFTXSWPYINPDK-LBPRGKRZSA-N 1 0 321.381 1.276 20 5 DDBDRO COc1ccc(OCC[NH2+][C@H](CO)C(C)(C)C)c([N+](=O)[O-])c1 ZINC000193098993 408695452 /nfs/dbraw/zinc/69/54/52/408695452.db2.gz MHDODNFPHICTMR-CQSZACIVSA-N 1 0 312.366 1.979 20 5 DDBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000249146435 408698306 /nfs/dbraw/zinc/69/83/06/408698306.db2.gz ULPXXBLXQSENTR-MWLCHTKSSA-N 1 0 308.338 1.108 20 5 DDBDRO CC(C)CN(C(=O)c1nn(C)cc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000270833290 408699127 /nfs/dbraw/zinc/69/91/27/408699127.db2.gz UDEKHJOYBXUBSD-UHFFFAOYSA-N 1 0 323.397 1.521 20 5 DDBDRO C[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1N)C[NH+]1CCCC1 ZINC000178171353 408782875 /nfs/dbraw/zinc/78/28/75/408782875.db2.gz BMVFYNDHSMHTPV-NSHDSACASA-N 1 0 306.366 1.639 20 5 DDBDRO CC[N@H+](C)CCNC(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000194837169 408801029 /nfs/dbraw/zinc/80/10/29/408801029.db2.gz TWVSMOBYVKFRDO-UHFFFAOYSA-N 1 0 310.354 1.354 20 5 DDBDRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)CCc3cccc([N+](=O)[O-])c3)C[C@@H]12 ZINC000185094533 408756999 /nfs/dbraw/zinc/75/69/99/408756999.db2.gz ZZHCKZGKVHNMDS-BPLDGKMQSA-N 1 0 303.362 1.723 20 5 DDBDRO C[C@@H]1C[C@H](Nc2ccc(C(N)=O)cc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000290839174 408841196 /nfs/dbraw/zinc/84/11/96/408841196.db2.gz VQPLXSDNOHAHHA-KOLCDFICSA-N 1 0 304.350 1.731 20 5 DDBDRO O=C(NC1CC1)[C@@H]1CCCN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000276351151 408841386 /nfs/dbraw/zinc/84/13/86/408841386.db2.gz WKHKNXVXGVCJMN-AWEZNQCLSA-N 1 0 307.325 1.977 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC([NH+](C)C)C2)c1 ZINC000281492042 408887549 /nfs/dbraw/zinc/88/75/49/408887549.db2.gz HMXZNQBNCPVODR-UHFFFAOYSA-N 1 0 307.350 1.445 20 5 DDBDRO CC[NH+]1CCN([C@H]2CCN(c3ncc([N+](=O)[O-])s3)C2)CC1 ZINC000192451927 163223955 /nfs/dbraw/zinc/22/39/55/163223955.db2.gz DNVLLAIVPWHWKA-NSHDSACASA-N 1 0 311.411 1.268 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000216062590 163330668 /nfs/dbraw/zinc/33/06/68/163330668.db2.gz YBVKTISMRWDWFC-WDEREUQCSA-N 1 0 313.379 1.261 20 5 DDBDRO C[C@@H]1C[C@H](C[NH3+])CN1S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000215999904 163331193 /nfs/dbraw/zinc/33/11/93/163331193.db2.gz ZFXVKFKEXZZXFU-ZYHUDNBSSA-N 1 0 313.379 1.094 20 5 DDBDRO O=[N+]([O-])c1ccc(CS(=O)(=O)N[C@H]2CCC[NH2+]CC2)cc1 ZINC000226461906 163336432 /nfs/dbraw/zinc/33/64/32/163336432.db2.gz PYXAFCOKEPEBNC-LBPRGKRZSA-N 1 0 313.379 1.156 20 5 DDBDRO O=[N+]([O-])c1cccc(Cl)c1C[NH2+]C1(CO)CCOCC1 ZINC000230936526 163348164 /nfs/dbraw/zinc/34/81/64/163348164.db2.gz OFMMYEFBQADOBV-UHFFFAOYSA-N 1 0 300.742 1.879 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NCC1([NH3+])CCCCCC1 ZINC000237576086 163382860 /nfs/dbraw/zinc/38/28/60/163382860.db2.gz KFHHQJPWYRISDA-UHFFFAOYSA-N 1 0 309.370 1.268 20 5 DDBDRO CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@H](C)CO ZINC000292037211 408966077 /nfs/dbraw/zinc/96/60/77/408966077.db2.gz ACLJBZCRDILFNY-GFCCVEGCSA-N 1 0 309.366 1.935 20 5 DDBDRO C[N@@H+]1CCN(c2ncc([N+](=O)[O-])cn2)C[C@H]1Cc1ccccc1 ZINC000286374315 408972301 /nfs/dbraw/zinc/97/23/01/408972301.db2.gz DGSYFXIGSBEANE-CQSZACIVSA-N 1 0 313.361 1.748 20 5 DDBDRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000292074132 408974584 /nfs/dbraw/zinc/97/45/84/408974584.db2.gz LPHPESPCPLEAQY-GFCCVEGCSA-N 1 0 308.382 1.852 20 5 DDBDRO Cc1nn(CCC(=O)N[C@@H](C)CCCC[NH3+])c(C)c1[N+](=O)[O-] ZINC000292079660 408975369 /nfs/dbraw/zinc/97/53/69/408975369.db2.gz LYJRIKRHQLBGFO-JTQLQIEISA-N 1 0 311.386 1.432 20 5 DDBDRO CCOCC[C@H](O)C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000277612929 408978098 /nfs/dbraw/zinc/97/80/98/408978098.db2.gz YDRQNADTABZAQJ-AWEZNQCLSA-N 1 0 323.393 1.504 20 5 DDBDRO CC(C)([NH2+]CCN1C(=O)CCC1=O)c1ccccc1[N+](=O)[O-] ZINC000292227768 409005176 /nfs/dbraw/zinc/00/51/76/409005176.db2.gz VLACWTXCYRLNLP-UHFFFAOYSA-N 1 0 305.334 1.569 20 5 DDBDRO C[C@H](O)C[N@@H+]1CCN(c2ccc([N+](=O)[O-])c3nonc32)[C@@H](C)C1 ZINC000277791495 409012822 /nfs/dbraw/zinc/01/28/22/409012822.db2.gz NJIXGLTXAXHXQR-UWVGGRQHSA-N 1 0 321.337 1.022 20 5 DDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCC[NH+](C)C ZINC000293131864 409055092 /nfs/dbraw/zinc/05/50/92/409055092.db2.gz VZEUXGZFLCTBPI-UHFFFAOYSA-N 1 0 315.395 1.387 20 5 DDBDRO COC[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCCO1 ZINC000279046001 409138424 /nfs/dbraw/zinc/13/84/24/409138424.db2.gz JXKYMGWNARTYRY-KKUMJFAQSA-N 1 0 310.350 1.412 20 5 DDBDRO C[C@H](CN1CCOCC1)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293592119 409144049 /nfs/dbraw/zinc/14/40/49/409144049.db2.gz FMOSVVVOJTYZON-NEPJUHHUSA-N 1 0 308.382 1.548 20 5 DDBDRO C[C@@H]1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000261732664 163693752 /nfs/dbraw/zinc/69/37/52/163693752.db2.gz HUVGEYGTZZCUTC-YPMHNXCESA-N 1 0 307.350 1.559 20 5 DDBDRO O=C(C[NH2+][C@@H]1CCC[C@H]1CCO)Nc1ccccc1[N+](=O)[O-] ZINC000279262731 409180923 /nfs/dbraw/zinc/18/09/23/409180923.db2.gz MLRCYSRFSASAGU-NWDGAFQWSA-N 1 0 307.350 1.674 20 5 DDBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])c(F)cc1N)C[NH+]1CCCC1 ZINC000279262784 409180997 /nfs/dbraw/zinc/18/09/97/409180997.db2.gz UFSJZFDHEWIZDW-SNVBAGLBSA-N 1 0 324.356 1.778 20 5 DDBDRO C[NH2+][C@@H]1CCCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000261739372 163694267 /nfs/dbraw/zinc/69/42/67/163694267.db2.gz KJUGFDBHYYXLRP-WCQYABFASA-N 1 0 306.366 1.606 20 5 DDBDRO Cc1n[nH]c(C(=O)NCCCCC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000293907589 409205283 /nfs/dbraw/zinc/20/52/83/409205283.db2.gz KTTKSIXSXHKEDU-UHFFFAOYSA-N 1 0 309.370 1.622 20 5 DDBDRO COc1ccc(C[NH2+]C[C@H](CO)[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000280315852 409290853 /nfs/dbraw/zinc/29/08/53/409290853.db2.gz OUWUNENRQDNYLV-QWHCGFSZSA-N 1 0 310.350 1.338 20 5 DDBDRO Cc1cc(OCC(=O)N2CCC[C@@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000280468408 409316824 /nfs/dbraw/zinc/31/68/24/409316824.db2.gz GGIVHMDNFRIOPS-CYBMUJFWSA-N 1 0 321.377 1.835 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000295498739 409318280 /nfs/dbraw/zinc/31/82/80/409318280.db2.gz PBGBMBXMUBAYGJ-ZDUSSCGKSA-N 1 0 321.377 1.480 20 5 DDBDRO COc1cc(C(=O)N(C)[C@H]2CCC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000262464489 163832598 /nfs/dbraw/zinc/83/25/98/163832598.db2.gz ITYIOJFZKFCMQM-LBPRGKRZSA-N 1 0 307.350 1.818 20 5 DDBDRO O=[N+]([O-])c1ccc(NCC[NH+]2CCC(O)CC2)c([N+](=O)[O-])c1 ZINC000295997780 409393569 /nfs/dbraw/zinc/39/35/69/409393569.db2.gz MKVRSKPFXCRUHF-UHFFFAOYSA-N 1 0 310.310 1.372 20 5 DDBDRO O=C(NCC[C@H]1CC[NH2+]C1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000579834791 422841623 /nfs/dbraw/zinc/84/16/23/422841623.db2.gz SICXKPSKUQTWAF-SNVBAGLBSA-N 1 0 321.333 1.095 20 5 DDBDRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000290458406 409408829 /nfs/dbraw/zinc/40/88/29/409408829.db2.gz YBFNZIPHZFTLKE-LLVKDONJSA-N 1 0 322.365 1.378 20 5 DDBDRO CC[C@@H](C)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000318794679 164033110 /nfs/dbraw/zinc/03/31/10/164033110.db2.gz ZXMHEYXTZYHEQL-SNVBAGLBSA-N 1 0 307.354 1.128 20 5 DDBDRO O=C(NCC[NH+]1CCC(O)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000296410549 409535833 /nfs/dbraw/zinc/53/58/33/409535833.db2.gz RRXNOMNCBQFLFR-UHFFFAOYSA-N 1 0 308.338 1.173 20 5 DDBDRO Cc1ccc([C@H](C)NC(=O)CCOC2C[NH2+]C2)cc1[N+](=O)[O-] ZINC000349001644 409641893 /nfs/dbraw/zinc/64/18/93/409641893.db2.gz OIBSPBAIOHTFRC-NSHDSACASA-N 1 0 307.350 1.459 20 5 DDBDRO C[C@H]1C[N@@H+](C2CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CC2)CCO1 ZINC000345051014 409606730 /nfs/dbraw/zinc/60/67/30/409606730.db2.gz JFTCDUUAMAJHTE-NSHDSACASA-N 1 0 322.365 1.248 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000342471211 409659841 /nfs/dbraw/zinc/65/98/41/409659841.db2.gz WUPHNLZKBSKSRV-YGRLFVJLSA-N 1 0 319.361 1.816 20 5 DDBDRO CC[C@H](C)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000297019745 409762542 /nfs/dbraw/zinc/76/25/42/409762542.db2.gz RKUYCISJJGOIML-NSHDSACASA-N 1 0 306.366 1.733 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[N@@H+](C)[C@H](C)[C@@H]1C ZINC000356979642 409765718 /nfs/dbraw/zinc/76/57/18/409765718.db2.gz DMPQLUPTUSTFHT-OLZOCXBDSA-N 1 0 320.393 1.866 20 5 DDBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1ccc([N+](=O)[O-])n1C ZINC000346142388 409819719 /nfs/dbraw/zinc/81/97/19/409819719.db2.gz XYLHAEYFOCHILB-VXGBXAGGSA-N 1 0 306.366 1.632 20 5 DDBDRO CCCN(CC[NH+]1CCCCC1)C(=O)c1cc([N+](=O)[O-])nn1C ZINC000342802633 409916550 /nfs/dbraw/zinc/91/65/50/409916550.db2.gz ONMKBBUACPJKTA-UHFFFAOYSA-N 1 0 323.397 1.666 20 5 DDBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCC1C[NH2+]C1 ZINC000261927762 287119610 /nfs/dbraw/zinc/11/96/10/287119610.db2.gz BVASORKEGMNMEZ-MRVPVSSYSA-N 1 0 313.741 1.351 20 5 DDBDRO C[C@@H]1CCCC[N@@H+]1CCCNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000298288921 410166706 /nfs/dbraw/zinc/16/67/06/410166706.db2.gz IFPWOMWYPSKKFA-LLVKDONJSA-N 1 0 321.381 1.765 20 5 DDBDRO C[C@H]1CN(CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H](C)[NH+]1C ZINC000339621224 410338199 /nfs/dbraw/zinc/33/81/99/410338199.db2.gz HINDBIVOZCRWTN-RYUDHWBXSA-N 1 0 306.366 1.558 20 5 DDBDRO Cc1n[nH]c(C(=O)N2CCC3(CC[NH2+]CC3)CC2)c1[N+](=O)[O-] ZINC000357849205 410293202 /nfs/dbraw/zinc/29/32/02/410293202.db2.gz BHKVKDNENYZMGY-UHFFFAOYSA-N 1 0 307.354 1.232 20 5 DDBDRO C[C@H]([NH3+])[C@H]1CCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000351863467 410301679 /nfs/dbraw/zinc/30/16/79/410301679.db2.gz UBBGRBRRDFTNMU-HUBLWGQQSA-N 1 0 318.377 1.369 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000347015245 410315517 /nfs/dbraw/zinc/31/55/17/410315517.db2.gz VYWVSPFFUUZRQY-LBPRGKRZSA-N 1 0 304.350 1.607 20 5 DDBDRO NC(=O)c1cc([N+](=O)[O-])cnc1N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000298729431 410370176 /nfs/dbraw/zinc/37/01/76/410370176.db2.gz SEKVNJQCBGUXCF-NWDGAFQWSA-N 1 0 305.338 1.127 20 5 DDBDRO C[C@@H](CNc1ncc([N+](=O)[O-])cc1C(N)=O)C[NH+]1CCCCC1 ZINC000298742228 410376723 /nfs/dbraw/zinc/37/67/23/410376723.db2.gz QWEQPXACNQGQSV-NSHDSACASA-N 1 0 321.381 1.623 20 5 DDBDRO O=C(Cn1cc([N+](=O)[O-])cn1)N1CCC([NH+]2CCCCC2)CC1 ZINC000298953520 410460868 /nfs/dbraw/zinc/46/08/68/410460868.db2.gz AQBMLZBMTFOPCO-UHFFFAOYSA-N 1 0 321.381 1.268 20 5 DDBDRO C[C@H]1[C@H](NC(=O)CN(C)c2ccccc2[N+](=O)[O-])CCC[N@@H+]1C ZINC000343472010 410476749 /nfs/dbraw/zinc/47/67/49/410476749.db2.gz ZGDWPQBAXGHDIO-QWHCGFSZSA-N 1 0 320.393 1.630 20 5 DDBDRO CCOc1cc(C[N@@H+]2[C@@H](CO)CC[C@H]2CO)ccc1[N+](=O)[O-] ZINC000347335132 410479685 /nfs/dbraw/zinc/47/96/85/410479685.db2.gz NKQHOKHAALBMNA-BETUJISGSA-N 1 0 310.350 1.311 20 5 DDBDRO COC(=O)COc1ccc(C[N@H+](CCO)C2CC2)cc1[N+](=O)[O-] ZINC000355589742 410594630 /nfs/dbraw/zinc/59/46/30/410594630.db2.gz YBFKIOBCFGJSOJ-UHFFFAOYSA-N 1 0 324.333 1.103 20 5 DDBDRO CC[N@H+](C[C@@H](C)O)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000352202911 410543220 /nfs/dbraw/zinc/54/32/20/410543220.db2.gz NLQALLCWHRECLO-PWSUYJOCSA-N 1 0 309.366 1.933 20 5 DDBDRO CC(C)(C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1)n1cc([N+](=O)[O-])cn1 ZINC000343697165 410627449 /nfs/dbraw/zinc/62/74/49/410627449.db2.gz XDZVQBJRVHENRY-HNNXBMFYSA-N 1 0 321.381 1.129 20 5 DDBDRO C[C@@H]1CN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H](C)C[N@@H+]1C ZINC000330585669 410802397 /nfs/dbraw/zinc/80/23/97/410802397.db2.gz LMJAWGNPQMDSOE-IPYPFGDCSA-N 1 0 323.393 1.359 20 5 DDBDRO C[C@@H]([NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)C(=O)NCCF ZINC000337502575 410828716 /nfs/dbraw/zinc/82/87/16/410828716.db2.gz LYZYGLSHINKFSQ-BXUZGUMPSA-N 1 0 323.368 1.980 20 5 DDBDRO COC[C@@H](C)[NH2+]Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000353209171 410855165 /nfs/dbraw/zinc/85/51/65/410855165.db2.gz RKCHTUGXEAEXIW-SNVBAGLBSA-N 1 0 312.322 1.271 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[N@@H+](C)C[C@H]1C ZINC000330663418 410858663 /nfs/dbraw/zinc/85/86/63/410858663.db2.gz FCCVQLYOJRHALH-GFCCVEGCSA-N 1 0 306.366 1.478 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)n1 ZINC000356253897 410922375 /nfs/dbraw/zinc/92/23/75/410922375.db2.gz NKZSBITVCYXNFV-OAHLLOKOSA-N 1 0 321.381 1.369 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)C1CC(O)C1 ZINC000353473737 411011832 /nfs/dbraw/zinc/01/18/32/411011832.db2.gz VBFUAKJVPXNERP-UHFFFAOYSA-N 1 0 307.350 1.687 20 5 DDBDRO CN(C(=O)C[N@H+](C)CC1(O)CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000353488483 411022662 /nfs/dbraw/zinc/02/26/62/411022662.db2.gz HOWGHRJPRRNSHX-UHFFFAOYSA-N 1 0 307.350 1.404 20 5 DDBDRO CNc1ccc(C(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000580644182 422946203 /nfs/dbraw/zinc/94/62/03/422946203.db2.gz NPLMUFDSGGWHIR-CMPLNLGQSA-N 1 0 306.366 1.836 20 5 DDBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H]([NH3+])C2)cc1SC ZINC000132308813 196244838 /nfs/dbraw/zinc/24/48/38/196244838.db2.gz ZCEJMPVOOPZRGQ-MRVPVSSYSA-N 1 0 311.363 1.499 20 5 DDBDRO C[NH+](C)C[C@@](C)(O)CNc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000132974212 196300927 /nfs/dbraw/zinc/30/09/27/196300927.db2.gz JERQMTMKCBHJNN-HNNXBMFYSA-N 1 0 304.350 1.868 20 5 DDBDRO C[NH2+][C@H]1CCCN(C(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000133065469 196309236 /nfs/dbraw/zinc/30/92/36/196309236.db2.gz DWINNQCZOWMTOM-LBPRGKRZSA-N 1 0 306.366 1.607 20 5 DDBDRO O=C(NCCCCC[NH+]1CCCC1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000295661736 225097232 /nfs/dbraw/zinc/09/72/32/225097232.db2.gz SNJUNCNANAOCJD-UHFFFAOYSA-N 1 0 322.365 1.691 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC1CC[NH2+]CC1 ZINC000417175424 225233085 /nfs/dbraw/zinc/23/30/85/225233085.db2.gz IVHHRKCJYZHGGC-UHFFFAOYSA-N 1 0 308.338 1.155 20 5 DDBDRO CN(C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CC([NH3+])C1 ZINC000418084404 225576783 /nfs/dbraw/zinc/57/67/83/225576783.db2.gz PPHZKRJTEPTTNY-UHFFFAOYSA-N 1 0 318.337 1.102 20 5 DDBDRO CN1CCC([N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000361035522 418571363 /nfs/dbraw/zinc/57/13/63/418571363.db2.gz NWHVANVFSOLSMD-GFCCVEGCSA-N 1 0 305.382 1.570 20 5 DDBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)COc3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000374625652 418547114 /nfs/dbraw/zinc/54/71/14/418547114.db2.gz UBDIAJNHDMHCSS-BYCMXARLSA-N 1 0 319.361 1.559 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)c1 ZINC000361081290 418579585 /nfs/dbraw/zinc/57/95/85/418579585.db2.gz QQNSVGOTLNXFSP-GXTWGEPZSA-N 1 0 319.361 1.721 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)n1 ZINC000191825671 222109605 /nfs/dbraw/zinc/10/96/05/222109605.db2.gz DTMISEAKRAUBBZ-JTQLQIEISA-N 1 0 311.386 1.517 20 5 DDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N[C@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000361083376 418580170 /nfs/dbraw/zinc/58/01/70/418580170.db2.gz XXNLZYURXWSJLE-GJZGRUSLSA-N 1 0 303.362 1.642 20 5 DDBDRO Cc1cc(NC(=O)N2CCN(CCO)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000189309505 222042353 /nfs/dbraw/zinc/04/23/53/222042353.db2.gz PAIVTQZEVCATCD-LBPRGKRZSA-N 1 0 322.365 1.434 20 5 DDBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000291018244 222075485 /nfs/dbraw/zinc/07/54/85/222075485.db2.gz SGASAAWLOGLQLG-LLVKDONJSA-N 1 0 311.386 1.336 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CCN(Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C[C@@H]21 ZINC000375015951 418588311 /nfs/dbraw/zinc/58/83/11/418588311.db2.gz DHABDNAWXQEBJG-ABAIWWIYSA-N 1 0 318.377 1.220 20 5 DDBDRO Cc1ccc(C[NH+](C)C)cc1NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000361207878 418605909 /nfs/dbraw/zinc/60/59/09/418605909.db2.gz BRLLMFUPNCMDTB-UHFFFAOYSA-N 1 0 318.337 1.195 20 5 DDBDRO CNc1c(C(=O)N[C@@H]2CC[N@H+](CCOC)C2)cccc1[N+](=O)[O-] ZINC000361213209 418607271 /nfs/dbraw/zinc/60/72/71/418607271.db2.gz QCHLAQITNSQUEA-LLVKDONJSA-N 1 0 322.365 1.087 20 5 DDBDRO O=[N+]([O-])c1cnn([C@H]2CCCN(c3ncnc4[nH]ccc43)C2)c1 ZINC000375381725 418632531 /nfs/dbraw/zinc/63/25/31/418632531.db2.gz TZOBATKCRUQYNJ-JTQLQIEISA-N 1 0 313.321 1.904 20 5 DDBDRO Cc1c(C(=O)N2CC[C@H]3C[NH2+]C[C@H]32)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000368194358 418701591 /nfs/dbraw/zinc/70/15/91/418701591.db2.gz QEFPZWUYROCION-TVQRCGJNSA-N 1 0 320.305 1.245 20 5 DDBDRO COc1ccc(C[N@H+](C)C2(CO)CCOCC2)cc1[N+](=O)[O-] ZINC000362023312 418740722 /nfs/dbraw/zinc/74/07/22/418740722.db2.gz HYJRROFQCXCXPI-UHFFFAOYSA-N 1 0 310.350 1.577 20 5 DDBDRO C[N@@H+]1CC[C@@H](CNc2ncc([N+](=O)[O-])cn2)[C@@H]1c1cccs1 ZINC000364961221 418827723 /nfs/dbraw/zinc/82/77/23/418827723.db2.gz YAOHNDLEYFUKHU-GXFFZTMASA-N 1 0 319.390 2.551 20 5 DDBDRO CC(C)(NC(=O)[C@H]1C[C@@]12CC[NH2+]C2)c1ccc([N+](=O)[O-])cc1 ZINC000372436316 418869688 /nfs/dbraw/zinc/86/96/88/418869688.db2.gz IHMOVYYHCIXQJU-CZUORRHYSA-N 1 0 303.362 1.946 20 5 DDBDRO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000365631936 418884778 /nfs/dbraw/zinc/88/47/78/418884778.db2.gz RUARDFNILZLJGN-NSHDSACASA-N 1 0 320.349 1.442 20 5 DDBDRO Cc1ccc([C@H](C)NC(=O)NC[C@H]2C[NH2+]CCO2)cc1[N+](=O)[O-] ZINC000417822249 419342614 /nfs/dbraw/zinc/34/26/14/419342614.db2.gz FJFLUCYWYMXEQC-WCQYABFASA-N 1 0 322.365 1.252 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCC(=O)N(C)C1=O ZINC000424311801 228257131 /nfs/dbraw/zinc/25/71/31/228257131.db2.gz FTKWPPZEHRPAPT-ZYHUDNBSSA-N 1 0 305.334 1.263 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H]1CCCC[C@H]1[NH3+] ZINC000424338634 228259566 /nfs/dbraw/zinc/25/95/66/228259566.db2.gz URKODBQHPLOQOU-VXGBXAGGSA-N 1 0 306.366 1.701 20 5 DDBDRO Cc1nn(C)c(-c2nc(C3([NH3+])CCCCC3)no2)c1[N+](=O)[O-] ZINC000424351753 228259621 /nfs/dbraw/zinc/25/96/21/228259621.db2.gz ZRFFHTVWGKOSOY-UHFFFAOYSA-N 1 0 306.326 1.805 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC[C@H](C3CCCC3)C2)c1 ZINC000420966309 419388226 /nfs/dbraw/zinc/38/82/26/419388226.db2.gz VBLOFDOAZGSXIY-ZFWWWQNUSA-N 1 0 308.382 1.664 20 5 DDBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000417931710 419395955 /nfs/dbraw/zinc/39/59/55/419395955.db2.gz CEHLUWWOVIGDOS-ZIAGYGMSSA-N 1 0 318.377 1.388 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](CO)[C@H]1CCCOC1 ZINC000411991893 419547433 /nfs/dbraw/zinc/54/74/33/419547433.db2.gz YMMBJGMKIQLKSO-SMDDNHRTSA-N 1 0 310.350 1.481 20 5 DDBDRO CCC[NH2+]CCNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000418080003 419515671 /nfs/dbraw/zinc/51/56/71/419515671.db2.gz BHDAWKGXLZFSGI-UHFFFAOYSA-N 1 0 320.353 1.270 20 5 DDBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000421705316 419690445 /nfs/dbraw/zinc/69/04/45/419690445.db2.gz QZLAUXLJRUMRJM-ZDUSSCGKSA-N 1 0 320.393 1.584 20 5 DDBDRO O=C(NC[C@H]1CCC[NH2+]1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000418376523 419753412 /nfs/dbraw/zinc/75/34/12/419753412.db2.gz UTFBSDOACTXNEX-CYBMUJFWSA-N 1 0 304.350 1.415 20 5 DDBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000428042017 419799944 /nfs/dbraw/zinc/79/99/44/419799944.db2.gz KKNTVZBNEQBNJN-JHJVBQTASA-N 1 0 318.377 1.606 20 5 DDBDRO COC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1OC)[C@@H]1CCCO1 ZINC000430228700 228886136 /nfs/dbraw/zinc/88/61/36/228886136.db2.gz DSGJRMCTSCUTRC-KGLIPLIRSA-N 1 0 310.350 1.887 20 5 DDBDRO CC(C)(NC(=O)NC[C@@H]1C[NH2+]CCO1)c1ccccc1[N+](=O)[O-] ZINC000418777866 419978974 /nfs/dbraw/zinc/97/89/74/419978974.db2.gz YXSMNODEDHHKPF-NSHDSACASA-N 1 0 322.365 1.118 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000415504152 420093299 /nfs/dbraw/zinc/09/32/99/420093299.db2.gz OZDDGYCAXURSDW-AOOOYVTPSA-N 1 0 306.322 1.287 20 5 DDBDRO O=C(C[C@H]1C[NH2+]CCO1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423724263 420142248 /nfs/dbraw/zinc/14/22/48/420142248.db2.gz MQRKSRVTDLWOHP-AWEZNQCLSA-N 1 0 319.361 1.464 20 5 DDBDRO Cc1c(NC(=O)C(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000415567867 420114063 /nfs/dbraw/zinc/11/40/63/420114063.db2.gz QMGZFMMTMJKQMK-UWVGGRQHSA-N 1 0 320.349 1.051 20 5 DDBDRO [NH3+]CC1(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)CCCC1 ZINC000423722650 420142955 /nfs/dbraw/zinc/14/29/55/420142955.db2.gz KKFOYHBYRBMANI-UHFFFAOYSA-N 1 0 303.322 1.929 20 5 DDBDRO COc1ccc(NC(=O)N(C2CC2)[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000415452151 420071893 /nfs/dbraw/zinc/07/18/93/420071893.db2.gz XZXZVEATWPMXLA-LBPRGKRZSA-N 1 0 320.349 1.962 20 5 DDBDRO COc1cc(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc([N+](=O)[O-])c1C ZINC000423531692 420075182 /nfs/dbraw/zinc/07/51/82/420075182.db2.gz TWHISUNRKXCRSD-WCFLWFBJSA-N 1 0 319.361 1.721 20 5 DDBDRO C[C@@H](C[NH3+])NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000423589867 420090111 /nfs/dbraw/zinc/09/01/11/420090111.db2.gz HVVXBIZFRCDXQG-ZETCQYMHSA-N 1 0 303.771 1.804 20 5 DDBDRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000415501831 420091228 /nfs/dbraw/zinc/09/12/28/420091228.db2.gz UXIFOADATXCZAQ-NSHDSACASA-N 1 0 320.349 1.052 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000430920879 420206579 /nfs/dbraw/zinc/20/65/79/420206579.db2.gz QTDHAGXQUKMVOW-AAEUAGOBSA-N 1 0 306.366 1.511 20 5 DDBDRO CN(C(=O)CN1CC[NH2+]C[C@](C)(F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000420330001 420214098 /nfs/dbraw/zinc/21/40/98/420214098.db2.gz KVDGYCIDYCEKMD-HNNXBMFYSA-N 1 0 324.356 1.191 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000430596436 420151500 /nfs/dbraw/zinc/15/15/00/420151500.db2.gz OBMYWHJGIOMPCP-RISCZKNCSA-N 1 0 320.393 1.901 20 5 DDBDRO C[C@@H]1C[C@@H](C[NH3+])CN1c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000420211841 420152290 /nfs/dbraw/zinc/15/22/90/420152290.db2.gz FWGNFMRXWYJERP-ZJUUUORDSA-N 1 0 303.322 1.818 20 5 DDBDRO CCOC(=O)c1ccnc(NCC[C@H]2CCC[NH2+]C2)c1[N+](=O)[O-] ZINC000420212936 420152689 /nfs/dbraw/zinc/15/26/89/420152689.db2.gz UMFCFHKOMBMWBC-LLVKDONJSA-N 1 0 322.365 1.968 20 5 DDBDRO [NH3+]CC1CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000430632029 420165576 /nfs/dbraw/zinc/16/55/76/420165576.db2.gz WRBZCQLCWWVRBL-UHFFFAOYSA-N 1 0 318.377 1.155 20 5 DDBDRO C[NH2+]C[C@H]1CCCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000430643308 420170248 /nfs/dbraw/zinc/17/02/48/420170248.db2.gz XACJAMWTXDPJDH-CHWSQXEVSA-N 1 0 320.393 1.853 20 5 DDBDRO C[C@@H]1CN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC[C@@H]1[NH3+] ZINC000430954096 420222528 /nfs/dbraw/zinc/22/25/28/420222528.db2.gz IPBNPHHNOCVDET-UGFHNGPFSA-N 1 0 318.377 1.369 20 5 DDBDRO CCOc1ccc(NC(=O)CN2CC[C@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000430966505 420225687 /nfs/dbraw/zinc/22/56/87/420225687.db2.gz ODTKSUWOABKYCZ-LLVKDONJSA-N 1 0 322.365 1.213 20 5 DDBDRO C[NH+](C)C1CCC(Nc2c(C(N)=O)cccc2[N+](=O)[O-])CC1 ZINC000420620136 420333146 /nfs/dbraw/zinc/33/31/46/420333146.db2.gz BDOBILPCHKCOMS-UHFFFAOYSA-N 1 0 306.366 1.978 20 5 DDBDRO Cc1c(CC(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000424000804 420300774 /nfs/dbraw/zinc/30/07/74/420300774.db2.gz OQJCWNUNCOWWSB-SMDDNHRTSA-N 1 0 305.378 1.889 20 5 DDBDRO Cc1ccc(C[NH+]2CCC3(CNC(=O)N3C)CC2)cc1[N+](=O)[O-] ZINC000425373895 420365711 /nfs/dbraw/zinc/36/57/11/420365711.db2.gz QRXIGCGNMFLPSZ-UHFFFAOYSA-N 1 0 318.377 1.893 20 5 DDBDRO Cc1ccc(NCCCNC(=O)N(C)[C@@H](C)C[NH3+])c([N+](=O)[O-])c1 ZINC000417714876 420458794 /nfs/dbraw/zinc/45/87/94/420458794.db2.gz JAJXYVLVGLCTJG-LBPRGKRZSA-N 1 0 323.397 1.694 20 5 DDBDRO C[NH2+]CCCNC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000417724906 420461314 /nfs/dbraw/zinc/46/13/14/420461314.db2.gz ZPJQOLHWYRZBEB-UHFFFAOYSA-N 1 0 308.382 1.826 20 5 DDBDRO CC(C)C[C@@H](C[NH3+])NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000417769274 420474070 /nfs/dbraw/zinc/47/40/70/420474070.db2.gz SGZAXPCCEMIIOH-ZDUSSCGKSA-N 1 0 308.382 1.810 20 5 DDBDRO [NH3+][C@@H]1CCC[C@H](NC(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000417774546 420474986 /nfs/dbraw/zinc/47/49/86/420474986.db2.gz ZJBQHIRKLAUZQP-OLZOCXBDSA-N 1 0 306.366 1.706 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)n1 ZINC000444830514 420759525 /nfs/dbraw/zinc/75/95/25/420759525.db2.gz WNTPDWJZGCATNH-STQMWFEESA-N 1 0 308.382 1.498 20 5 DDBDRO C[C@@H]1C[C@@H](C[NH3+])CN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000442767547 420711266 /nfs/dbraw/zinc/71/12/66/420711266.db2.gz RDEUJZQRJZFPCM-NEPJUHHUSA-N 1 0 306.366 1.227 20 5 DDBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CCC[C@H]1O ZINC000453404046 420725328 /nfs/dbraw/zinc/72/53/28/420725328.db2.gz HGLAEEMIRKMYIQ-ZLKJLUDKSA-N 1 0 307.350 1.815 20 5 DDBDRO C[C@@H]1CN(C(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])[C@@H](C)C[NH2+]1 ZINC000493269288 420805182 /nfs/dbraw/zinc/80/51/82/420805182.db2.gz QBRLMXRXHKWRGY-FPNIURKZSA-N 1 0 307.325 1.956 20 5 DDBDRO CO[C@@H]1COC[C@@H]1[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000459759598 420867199 /nfs/dbraw/zinc/86/71/99/420867199.db2.gz RFPTUJFJPCYXDQ-LEWSCRJBSA-N 1 0 323.349 1.315 20 5 DDBDRO CC[N@H+](CCNC(=O)c1ccc([N+](=O)[O-])c(NC)n1)C(C)C ZINC000455662337 421052120 /nfs/dbraw/zinc/05/21/20/421052120.db2.gz KQTKSPFEUQTLGY-UHFFFAOYSA-N 1 0 309.370 1.492 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2C[NH2+]CCC2(F)F)c1 ZINC000449667937 421054943 /nfs/dbraw/zinc/05/49/43/421054943.db2.gz VWNBERPHACDJKS-NSHDSACASA-N 1 0 315.276 1.330 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCCCN1CCO ZINC000449398917 421007676 /nfs/dbraw/zinc/00/76/76/421007676.db2.gz WYNKDZYNDPHJBG-GDBMZVCRSA-N 1 0 321.421 1.962 20 5 DDBDRO C[C@H]1[C@@H](CO)CC[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000488724936 421108730 /nfs/dbraw/zinc/10/87/30/421108730.db2.gz AXHIHJCOCBBSEZ-WDEREUQCSA-N 1 0 308.334 1.664 20 5 DDBDRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)c1cccc([N+](=O)[O-])c1N ZINC000456387420 421157930 /nfs/dbraw/zinc/15/79/30/421157930.db2.gz SNBOMWFWQRXTGI-LLVKDONJSA-N 1 0 306.366 1.733 20 5 DDBDRO COC(=O)CN(Cc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000524752866 421269107 /nfs/dbraw/zinc/26/91/07/421269107.db2.gz YNIRPRHVCZXBHD-UHFFFAOYSA-N 1 0 308.334 1.749 20 5 DDBDRO CC(C)[C@@H](CNC(=O)c1c[nH]nc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000562401021 421361511 /nfs/dbraw/zinc/36/15/11/421361511.db2.gz PLDVONYQIYKHDE-CYBMUJFWSA-N 1 0 323.397 1.804 20 5 DDBDRO Nc1nccc(C(=O)NCCC[NH+]2CCCCCC2)c1[N+](=O)[O-] ZINC000548079127 421397632 /nfs/dbraw/zinc/39/76/32/421397632.db2.gz POTRWKRDARGSRB-UHFFFAOYSA-N 1 0 321.381 1.568 20 5 DDBDRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000514668081 421444698 /nfs/dbraw/zinc/44/46/98/421444698.db2.gz QUBJIKFLLZMXHX-VHSXEESVSA-N 1 0 321.333 1.175 20 5 DDBDRO Cc1cc(S(=O)(=O)N[C@@H](C)C[C@@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000519646057 421713373 /nfs/dbraw/zinc/71/33/73/421713373.db2.gz AKIGIFUNNQPQEL-ZJUUUORDSA-N 1 0 301.368 1.307 20 5 DDBDRO COc1ccc(CC(=O)NC[C@@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000557467807 421772484 /nfs/dbraw/zinc/77/24/84/421772484.db2.gz XGQQQYFKBNGYKF-LLVKDONJSA-N 1 0 309.366 1.460 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCNC(=O)c1ccn[nH]1 ZINC000540953243 421778210 /nfs/dbraw/zinc/77/82/10/421778210.db2.gz QDHFQDWUKJGBCA-NSHDSACASA-N 1 0 317.349 1.707 20 5 DDBDRO Nc1c(C(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)cccc1[N+](=O)[O-] ZINC000573803575 422017244 /nfs/dbraw/zinc/01/72/44/422017244.db2.gz BGLITHCZYBVSMK-HNNXBMFYSA-N 1 0 304.350 1.393 20 5 DDBDRO NC(=O)NC(=O)CC[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000581939146 422070097 /nfs/dbraw/zinc/07/00/97/422070097.db2.gz MQPLGFDGQYUJDN-UHFFFAOYSA-N 1 0 308.338 1.092 20 5 DDBDRO CCc1nn(C)c(N2CC[N@@H+](C3CC3)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000574898175 422209142 /nfs/dbraw/zinc/20/91/42/422209142.db2.gz HEASUWOBIJBEAC-NSHDSACASA-N 1 0 307.398 1.811 20 5 DDBDRO COC(=O)c1cc(NC(=O)CC[NH2+]C2CC2)cc([N+](=O)[O-])c1 ZINC000574926579 422218195 /nfs/dbraw/zinc/21/81/95/422218195.db2.gz HPXYGFBKOXRNMB-UHFFFAOYSA-N 1 0 307.306 1.462 20 5 DDBDRO Cc1c(C[NH3+])c(NC(=O)c2cc(C)cc([N+](=O)[O-])c2)nn1C ZINC000595961923 422359709 /nfs/dbraw/zinc/35/97/09/422359709.db2.gz MVNVDIYOVHCJSJ-UHFFFAOYSA-N 1 0 303.322 1.656 20 5 DDBDRO O=[N+]([O-])c1cnc2ccc(N3CCC[C@]4(CC[NH2+]C4)C3)nn21 ZINC000577845548 422440198 /nfs/dbraw/zinc/44/01/98/422440198.db2.gz OXZUYUARWNOQFA-CQSZACIVSA-N 1 0 302.338 1.217 20 5 DDBDRO O=[N+]([O-])c1ccc2nc(NCC[N@H+]3CC[C@H](O)C3)ccc2c1 ZINC000599198979 422404708 /nfs/dbraw/zinc/40/47/08/422404708.db2.gz DKRKSDKCRMYNMU-ZDUSSCGKSA-N 1 0 302.334 1.622 20 5 DDBDRO CC(C)[NH2+]CCCNS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000578625875 422611579 /nfs/dbraw/zinc/61/15/79/422611579.db2.gz QQDALBFWCROXAC-UHFFFAOYSA-N 1 0 307.397 1.323 20 5 DDBDRO CCc1ccc(S(=O)(=O)NCCCC[NH3+])cc1[N+](=O)[O-] ZINC000578988164 422682513 /nfs/dbraw/zinc/68/25/13/422682513.db2.gz MPDMYMHRVIJSME-UHFFFAOYSA-N 1 0 301.368 1.174 20 5 DDBDRO CO[C@@H]1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000322281643 271029325 /nfs/dbraw/zinc/02/93/25/271029325.db2.gz VDMXUNSAZRUJJP-JLVOYYQZSA-N 1 0 319.361 1.573 20 5 DDBDRO COC1(C)CC[NH+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000342127777 271308939 /nfs/dbraw/zinc/30/89/39/271308939.db2.gz AKROPIOVPPFCNS-CQSZACIVSA-N 1 0 324.377 1.835 20 5 DDBDRO Cn1c(C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000344603834 272069339 /nfs/dbraw/zinc/06/93/39/272069339.db2.gz KILAGCKQFWADIH-LBPRGKRZSA-N 1 0 306.366 1.634 20 5 DDBDRO Cn1cc(C[NH2+]CCN2CCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000344845506 272129095 /nfs/dbraw/zinc/12/90/95/272129095.db2.gz JSLJERPIKYVGCV-UHFFFAOYSA-N 1 0 315.377 1.791 20 5 DDBDRO Cc1ccc(C)c(S(=O)(=O)N[C@H](C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000344954896 272146271 /nfs/dbraw/zinc/14/62/71/272146271.db2.gz SFYNYEOCCJSAOA-LLVKDONJSA-N 1 0 315.395 1.440 20 5 DDBDRO CC(C)(NC(=O)[C@H]([NH3+])CC(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000345704456 272309322 /nfs/dbraw/zinc/30/93/22/272309322.db2.gz DNNPZLVQLNGRPD-SNVBAGLBSA-N 1 0 301.293 1.929 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](CO)[C@H]1CCOC1 ZINC000449303787 274498596 /nfs/dbraw/zinc/49/85/96/274498596.db2.gz YYCUQFDQMPOWHF-VHDGCEQUSA-N 1 0 308.378 1.760 20 5 DDBDRO O=[N+]([O-])c1ccc2c(ccnc2N2CC[NH+](CCCO)CC2)c1 ZINC000295577711 275038811 /nfs/dbraw/zinc/03/88/11/275038811.db2.gz RUTCFRFLQNPLEP-UHFFFAOYSA-N 1 0 316.361 1.647 20 5 DDBDRO CC(C)(C(=O)N[C@H](C[NH3+])C1CCCCC1)n1cc([N+](=O)[O-])cn1 ZINC000236719893 275508637 /nfs/dbraw/zinc/50/86/37/275508637.db2.gz PWTISQMLLGOXGW-CYBMUJFWSA-N 1 0 323.397 1.550 20 5 DDBDRO CC[N@H+](CCO)CCNCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000274461100 276132832 /nfs/dbraw/zinc/13/28/32/276132832.db2.gz XNFKKKDLNKHGGG-UHFFFAOYSA-N 1 0 301.774 1.652 20 5 DDBDRO CNC(=O)C[C@H](C)[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000453342750 277233198 /nfs/dbraw/zinc/23/31/98/277233198.db2.gz CTCMAVIBSSRCMD-SRVKXCTJSA-N 1 0 309.370 1.389 20 5 DDBDRO C[C@@H]1CCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000261731392 277737844 /nfs/dbraw/zinc/73/78/44/277737844.db2.gz HRJJGYYRORBMSB-CHWSQXEVSA-N 1 0 320.393 1.617 20 5 DDBDRO Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000091081889 279057386 /nfs/dbraw/zinc/05/73/86/279057386.db2.gz XRRSZGRJULLEGD-GFCCVEGCSA-N 1 0 304.354 1.968 20 5 DDBDRO Cc1c(C(=O)N2CC([NH+](C)C)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000135042093 280204511 /nfs/dbraw/zinc/20/45/11/280204511.db2.gz SNZZBBXFBIECSW-UHFFFAOYSA-N 1 0 322.321 1.506 20 5 DDBDRO Cc1ccc(NCCCNC(=O)C[C@H]2CCC[NH2+]2)c([N+](=O)[O-])c1 ZINC000160485129 280915564 /nfs/dbraw/zinc/91/55/64/280915564.db2.gz BZODOYAICJCVPR-CYBMUJFWSA-N 1 0 320.393 1.964 20 5 DDBDRO C[N@@H+]1CC[C@@H]2OCCN(c3ncc(Cl)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000284576030 290169840 /nfs/dbraw/zinc/16/98/40/290169840.db2.gz OUVMIJWTABCKFZ-NEPJUHHUSA-N 1 0 312.757 1.553 20 5 DDBDRO C[NH+](C)CC1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000354379038 298417344 /nfs/dbraw/zinc/41/73/44/298417344.db2.gz DDYDXRGQJOMHNX-UHFFFAOYSA-N 1 0 320.393 1.807 20 5 DDBDRO O=C([C@H]1C[C@@H]1[N+](=O)[O-])N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000363295550 300246267 /nfs/dbraw/zinc/24/62/67/300246267.db2.gz HVUGFFZWCLUJPT-GJZGRUSLSA-N 1 0 309.410 1.766 20 5 DDBDRO Cn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)n1 ZINC000367281387 300821283 /nfs/dbraw/zinc/82/12/83/300821283.db2.gz XHIZPZWRNYMNMZ-LLVKDONJSA-N 1 0 307.354 1.029 20 5 DDBDRO CC(C)OC[C@H](O)C[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369012210 301119096 /nfs/dbraw/zinc/11/90/96/301119096.db2.gz UMXJYJZBBXLXBR-TZMCWYRMSA-N 1 0 312.370 1.214 20 5 DDBDRO C[C@@H](CN1CCOCC1)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000369494864 301190905 /nfs/dbraw/zinc/19/09/05/301190905.db2.gz VHHITHKQHGVRQI-ZDUSSCGKSA-N 1 0 323.397 1.149 20 5 DDBDRO CCOCC[C@@H](O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000369681409 301211748 /nfs/dbraw/zinc/21/17/48/301211748.db2.gz LKUQNKXXSNEADO-CYBMUJFWSA-N 1 0 312.370 1.216 20 5 DDBDRO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000370491588 301350327 /nfs/dbraw/zinc/35/03/27/301350327.db2.gz MNKLKPZHCSWZLX-SNVBAGLBSA-N 1 0 322.340 1.626 20 5 DDBDRO Nc1c(C(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cccc1[N+](=O)[O-] ZINC000371020719 301413839 /nfs/dbraw/zinc/41/38/39/301413839.db2.gz YXJKUERKDKBUIM-YPMHNXCESA-N 1 0 318.377 1.781 20 5 DDBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000372869316 301626434 /nfs/dbraw/zinc/62/64/34/301626434.db2.gz JSDNADVHCXRRJJ-CHWSQXEVSA-N 1 0 319.361 1.574 20 5 DDBDRO COc1cc(N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)ccc1[N+](=O)[O-] ZINC000375901681 302012836 /nfs/dbraw/zinc/01/28/36/302012836.db2.gz CRIOCWMJSJGTAX-UKRRQHHQSA-N 1 0 321.377 1.639 20 5 DDBDRO CN(c1ccc2ncc([N+](=O)[O-])n2n1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000376236463 302054397 /nfs/dbraw/zinc/05/43/97/302054397.db2.gz GVLHRFWZKGSTSX-FOSCPWQOSA-N 1 0 316.365 1.699 20 5 DDBDRO O=[N+]([O-])c1ccn(CCN2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)n1 ZINC000377963507 302257804 /nfs/dbraw/zinc/25/78/04/302257804.db2.gz UYDKLOYVNBJCGI-MGPQQGTHSA-N 1 0 305.382 1.207 20 5 DDBDRO O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000378188363 302288620 /nfs/dbraw/zinc/28/86/20/302288620.db2.gz CZFBQRCXYOEGNH-MNOVXSKESA-N 1 0 320.305 1.470 20 5 DDBDRO C[NH+]1CCC(O)(CNC(=O)/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000397526922 302355061 /nfs/dbraw/zinc/35/50/61/302355061.db2.gz IWKLIUQWPZXLRO-SREVYHEPSA-N 1 0 319.361 1.181 20 5 DDBDRO COC(=O)N1CCC([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000496473965 302579731 /nfs/dbraw/zinc/57/97/31/302579731.db2.gz BXCROCIGCDDCJO-AWEZNQCLSA-N 1 0 323.349 1.449 20 5 DDBDRO Cc1cc(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])ccn1 ZINC000516965659 302803530 /nfs/dbraw/zinc/80/35/30/302803530.db2.gz GKGVXUSFMVPYDV-AWEZNQCLSA-N 1 0 317.345 1.828 20 5 DDBDRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000521041351 302869961 /nfs/dbraw/zinc/86/99/61/302869961.db2.gz DJNFNYWQAARDBG-BXKDBHETSA-N 1 0 321.333 1.094 20 5 DDBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000532397205 303284926 /nfs/dbraw/zinc/28/49/26/303284926.db2.gz AZCIKGZNLDMMBM-ZDUSSCGKSA-N 1 0 318.377 1.794 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000532873516 303300099 /nfs/dbraw/zinc/30/00/99/303300099.db2.gz PCRBDDJMHNKITI-DGCLKSJQSA-N 1 0 306.366 1.490 20 5 DDBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](C)S(C)(=O)=O ZINC000537940348 303381459 /nfs/dbraw/zinc/38/14/59/303381459.db2.gz FTRDFASDVJBZJN-RYUDHWBXSA-N 1 0 314.407 1.939 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@H]2c3ccccc3CC[C@H]2CO)c1 ZINC000364584064 307048585 /nfs/dbraw/zinc/04/85/85/307048585.db2.gz PDMIDWNIPQNKLQ-BBRMVZONSA-N 1 0 316.361 1.677 20 5 DDBDRO CNC(=O)c1ccc(N2CC[C@H]3CC[N@H+](C)C[C@H]32)c([N+](=O)[O-])c1 ZINC000365018716 307056523 /nfs/dbraw/zinc/05/65/23/307056523.db2.gz ORTLMWBXFZELFR-IAQYHMDHSA-N 1 0 318.377 1.485 20 5 DDBDRO CSC[C@H](O)C[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000372294468 307167655 /nfs/dbraw/zinc/16/76/55/307167655.db2.gz JNMAYJPFDUZMTI-ZYHUDNBSSA-N 1 0 300.384 1.152 20 5 DDBDRO CCOC(=O)CCC[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000373587933 307190793 /nfs/dbraw/zinc/19/07/93/307190793.db2.gz ZLPALCRXDDSVGM-LBPRGKRZSA-N 1 0 310.354 1.772 20 5 DDBDRO C[C@H]1[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)CCC12CCOCC2 ZINC000375243276 307219514 /nfs/dbraw/zinc/21/95/14/307219514.db2.gz WICBLJBSSBMTMH-CYBMUJFWSA-N 1 0 321.377 1.648 20 5 DDBDRO COc1cc(C(=O)N2CC[C@H]3CC[N@H+](C)[C@H]3C2)ccc1[N+](=O)[O-] ZINC000376642890 307251187 /nfs/dbraw/zinc/25/11/87/307251187.db2.gz MLLUEUZLLUSESB-RISCZKNCSA-N 1 0 319.361 1.770 20 5 DDBDRO O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC000404007305 307297634 /nfs/dbraw/zinc/29/76/34/307297634.db2.gz OMFBZUTUEROVKZ-YJQVQVLHSA-N 1 0 317.345 1.197 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000517024695 307428206 /nfs/dbraw/zinc/42/82/06/307428206.db2.gz CVMLXPOGZHKCSU-VXGBXAGGSA-N 1 0 309.370 1.124 20 5 DDBDRO CC[NH+](CC)CCCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000517994824 307439122 /nfs/dbraw/zinc/43/91/22/307439122.db2.gz LMLUIIBDCPIWKP-UHFFFAOYSA-N 1 0 323.349 1.785 20 5 DDBDRO CCS(=O)(=O)C[C@@H](C)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000537059374 307668647 /nfs/dbraw/zinc/66/86/47/307668647.db2.gz FJUXHRUHSGBWQA-LLVKDONJSA-N 1 0 316.379 1.386 20 5 DDBDRO O=C(c1ccc([N+](=O)[O-])cc1F)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000566562506 308056985 /nfs/dbraw/zinc/05/69/85/308056985.db2.gz OVYLPYOWHQLEPK-OAHLLOKOSA-N 1 0 307.325 1.950 20 5 DDBDRO CN(C)C1(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCC1 ZINC000566792769 308063318 /nfs/dbraw/zinc/06/33/18/308063318.db2.gz PHPZPBYQXLAWKA-CYBMUJFWSA-N 1 0 323.393 1.408 20 5 DDBDRO C[C@@H](Cn1ccnc1)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000568621010 308124517 /nfs/dbraw/zinc/12/45/17/308124517.db2.gz KIQRXOYMCMWAJH-QWHCGFSZSA-N 1 0 320.349 1.209 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H]2CCCc3occc32)c1 ZINC000572952643 308228266 /nfs/dbraw/zinc/22/82/66/308228266.db2.gz BHSWZOSSEVAKCM-AAEUAGOBSA-N 1 0 306.322 1.412 20 5 DDBDRO CCS(=O)(=O)NCC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000573266095 308235165 /nfs/dbraw/zinc/23/51/65/308235165.db2.gz SPLBYJXTWIGHOW-GFCCVEGCSA-N 1 0 313.379 1.111 20 5 DDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000578192349 308444269 /nfs/dbraw/zinc/44/42/69/308444269.db2.gz NJTRBOHMMLXOOS-NXEZZACHSA-N 1 0 322.365 1.338 20 5 DDBDRO O=C(CC[NH2+]CCc1cn[nH]c1)Nc1ccccc1[N+](=O)[O-] ZINC000578995933 308499861 /nfs/dbraw/zinc/49/98/61/308499861.db2.gz DTGMIMPJSLAMBP-UHFFFAOYSA-N 1 0 303.322 1.479 20 5 DDBDRO CNc1c(C(=O)NC[C@H](C)[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000387757887 325767237 /nfs/dbraw/zinc/76/72/37/325767237.db2.gz FALUGZNETGBXEO-NSHDSACASA-N 1 0 306.366 1.851 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCCOC2CCCC2)c1 ZINC000581305739 325826972 /nfs/dbraw/zinc/82/69/72/325826972.db2.gz WSANRFJKUCJWBS-CYBMUJFWSA-N 1 0 312.370 1.091 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H](C[NH3+])C1 ZINC000582772813 337145024 /nfs/dbraw/zinc/14/50/24/337145024.db2.gz FFGKGGWSAAFCFS-SNVBAGLBSA-N 1 0 308.338 1.806 20 5 DDBDRO Cc1nn(C)c(N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000488736631 484216854 /nfs/dbraw/zinc/21/68/54/484216854.db2.gz VIZKZPOXXSEUNP-NTZNESFSSA-N 1 0 307.398 1.803 20 5 DDBDRO [NH3+]CC[C@H](NC(=O)c1ccc(F)cc1[N+](=O)[O-])C(F)(F)F ZINC000307807110 484376378 /nfs/dbraw/zinc/37/63/78/484376378.db2.gz DGHRLSOYKWZECF-VIFPVBQESA-N 1 0 309.219 1.743 20 5 DDBDRO C[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C[NH+](C)C ZINC000292812999 534075689 /nfs/dbraw/zinc/07/56/89/534075689.db2.gz YGNGIIUNEOIWOU-VIFPVBQESA-N 1 0 319.358 1.210 20 5 DDBDRO COc1ccc(NC(=O)C[NH2+][C@@]2(C)CCO[C@H]2C)c([N+](=O)[O-])c1 ZINC000494242318 534082161 /nfs/dbraw/zinc/08/21/61/534082161.db2.gz RMXAXPQPAWAFPW-BONVTDFDSA-N 1 0 323.349 1.699 20 5 DDBDRO COc1ccc(NC(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)cc1[N+](=O)[O-] ZINC000415452422 534133431 /nfs/dbraw/zinc/13/34/31/534133431.db2.gz YHFHQBXFRWJQRQ-GXSJLCMTSA-N 1 0 308.338 1.865 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H]1CCOC[C@H]1C ZINC000433179289 534339999 /nfs/dbraw/zinc/33/99/99/534339999.db2.gz WEUKLLXZUAUHFM-YPMHNXCESA-N 1 0 307.350 1.856 20 5 DDBDRO [NH3+]CC1CCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000417236267 534595643 /nfs/dbraw/zinc/59/56/43/534595643.db2.gz TXDUKNHEYNYZFX-UHFFFAOYSA-N 1 0 306.366 1.518 20 5 DDBDRO CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000423069877 527899512 /nfs/dbraw/zinc/89/95/12/527899512.db2.gz FHFMFSZZQAGANI-GXTWGEPZSA-N 1 0 307.350 1.286 20 5 DDBDRO CC[NH+](CC)CC[C@H](CO)N=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1 ZINC000450505109 528166749 /nfs/dbraw/zinc/16/67/49/528166749.db2.gz XRBFGMOWNXCPKX-LLVKDONJSA-N 1 0 321.381 1.398 20 5 DDBDRO CCOC(=O)c1ccnc(N2CC[NH+]3CCC2CC3)c1[N+](=O)[O-] ZINC000302610160 528272481 /nfs/dbraw/zinc/27/24/81/528272481.db2.gz ALEHLGPMHMTJEO-UHFFFAOYSA-N 1 0 320.349 1.451 20 5 DDBDRO CC(C)[N@@H+]1CC[C@@H](Nc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 ZINC000820127058 606702769 /nfs/dbraw/zinc/70/27/69/606702769.db2.gz ICWANCVJOOSPGO-SECBINFHSA-N 1 0 318.341 1.065 20 5 DDBDRO C[C@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C[C@H]1[NH+](C)C ZINC000820774424 606804247 /nfs/dbraw/zinc/80/42/47/606804247.db2.gz CMGXGCBXXNLHJA-TVQRCGJNSA-N 1 0 317.353 1.161 20 5 DDBDRO O=[N+]([O-])c1cccc(-c2noc(C[C@H]3CSCC[NH2+]3)n2)c1 ZINC000091128915 696586028 /nfs/dbraw/zinc/58/60/28/696586028.db2.gz XAVBPRGQCAZVIR-JTQLQIEISA-N 1 0 306.347 1.892 20 5 DDBDRO C[NH2+][C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)C1 ZINC000133873529 696831050 /nfs/dbraw/zinc/83/10/50/696831050.db2.gz FSQCFWHXVFTODK-SNVBAGLBSA-N 1 0 322.321 1.635 20 5 DDBDRO C[N@@H+]1CCCC[C@@H]1CCOC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000748487044 700121334 /nfs/dbraw/zinc/12/13/34/700121334.db2.gz VQYUPMJHXWLPSM-GFCCVEGCSA-N 1 0 323.349 1.174 20 5 DDBDRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CCO1 ZINC000156430987 696962826 /nfs/dbraw/zinc/96/28/26/696962826.db2.gz GMXGCFCCKREMFH-PELKAZGASA-N 1 0 313.741 1.436 20 5 DDBDRO CN(CC(F)F)C1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000749846092 700189649 /nfs/dbraw/zinc/18/96/49/700189649.db2.gz JKYYYCORNFKBPD-UHFFFAOYSA-N 1 0 317.340 1.453 20 5 DDBDRO CC[N@H+](C[C@H]1CCOC1)Cn1nc(C)c2cc([N+](=O)[O-])cnc21 ZINC000749953224 700194434 /nfs/dbraw/zinc/19/44/34/700194434.db2.gz CJFAQWQAHJMRJY-GFCCVEGCSA-N 1 0 319.365 1.964 20 5 DDBDRO CC(=O)N(C)C1CC[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776578617 698120185 /nfs/dbraw/zinc/12/01/85/698120185.db2.gz GZCJVMZPJMRTNG-MRXNPFEDSA-N 1 0 321.377 1.571 20 5 DDBDRO COCC1(O)CC[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776594169 698124688 /nfs/dbraw/zinc/12/46/88/698124688.db2.gz XSYWWGPJOSJZPE-CQSZACIVSA-N 1 0 310.350 1.102 20 5 DDBDRO O=C(NCC1C[NH2+]C1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000261916204 698444862 /nfs/dbraw/zinc/44/48/62/698444862.db2.gz IEGBPPPKGCHEIY-UHFFFAOYSA-N 1 0 304.350 1.144 20 5 DDBDRO C[C@]1(C[NH3+])CCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000261934137 698445910 /nfs/dbraw/zinc/44/59/10/698445910.db2.gz IUQGBJVFKNKURY-CQSZACIVSA-N 1 0 311.313 1.310 20 5 DDBDRO O=[N+]([O-])c1ccc(CN2CC[C@H](N3CC[NH2+]CC3)C2)c(Cl)c1 ZINC000262409440 698468650 /nfs/dbraw/zinc/46/86/50/698468650.db2.gz DAAYNPBOQJKJSD-AWEZNQCLSA-N 1 0 324.812 1.728 20 5 DDBDRO CN(CC[NH+](C)C)C(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000782001674 698672172 /nfs/dbraw/zinc/67/21/72/698672172.db2.gz JUUOZMFQKXMHOY-UHFFFAOYSA-N 1 0 324.337 1.456 20 5 DDBDRO COC(=O)[C@@H]1CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000787326588 699206175 /nfs/dbraw/zinc/20/61/75/699206175.db2.gz IMCGWWXDCBCSOX-GDLCADMTSA-N 1 0 308.334 1.512 20 5 DDBDRO C[C@H]([NH2+][C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788665596 699332575 /nfs/dbraw/zinc/33/25/75/699332575.db2.gz PBVIHWKOZYBSKX-JCRCQARHSA-N 1 0 318.377 1.837 20 5 DDBDRO CN(CCc1ccccc1[N+](=O)[O-])C[C@@H](O)C[NH+]1CCCC1 ZINC000796112232 699913259 /nfs/dbraw/zinc/91/32/59/699913259.db2.gz INODRDDTPZBKFP-OAHLLOKOSA-N 1 0 307.394 1.526 20 5 DDBDRO C[C@@H]1CC[N@H+](CCNC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C1 ZINC000744800164 699961340 /nfs/dbraw/zinc/96/13/40/699961340.db2.gz UIPAULPENBVXKW-GFCCVEGCSA-N 1 0 320.393 1.732 20 5 DDBDRO CC1(C)NC(=O)CC[C@@H]1[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000801975366 700361556 /nfs/dbraw/zinc/36/15/56/700361556.db2.gz FTPXRNVVNSNGPA-OLZOCXBDSA-N 1 0 307.350 1.275 20 5 DDBDRO CCOc1cc(C[NH2+]C2(C(N)=O)CCCC2)ccc1[N+](=O)[O-] ZINC000755061919 700547501 /nfs/dbraw/zinc/54/75/01/700547501.db2.gz AGRRXMDVTAMHBL-UHFFFAOYSA-N 1 0 307.350 1.881 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CCC(OCCO)CC2)c1 ZINC000757130660 700658687 /nfs/dbraw/zinc/65/86/87/700658687.db2.gz MEDJCZXKCYWLBY-OAHLLOKOSA-N 1 0 310.350 1.102 20 5 DDBDRO O=[N+]([O-])c1cccc2c1CCN(C[C@H](O)C[NH+]1CCCC1)C2 ZINC000757149466 700659286 /nfs/dbraw/zinc/65/92/86/700659286.db2.gz RSAYRCOYULUWTH-CQSZACIVSA-N 1 0 305.378 1.410 20 5 DDBDRO COc1ccc(OCCN2CC[N@H+](C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000761075299 700839699 /nfs/dbraw/zinc/83/96/99/700839699.db2.gz DODGVOIISCJACE-LBPRGKRZSA-N 1 0 309.366 1.618 20 5 DDBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CC[C@@H]2C[C@@H]21 ZINC000761095495 700843201 /nfs/dbraw/zinc/84/32/01/700843201.db2.gz QPCZIXIBTXVFHD-PWSUYJOCSA-N 1 0 303.318 1.987 20 5 DDBDRO C/C(=C/C(=O)NC[C@@]1(O)CC[N@@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000762721491 700904531 /nfs/dbraw/zinc/90/45/31/700904531.db2.gz NKJAXMPIXPXARU-CKDIWJPDSA-N 1 0 319.361 1.181 20 5 DDBDRO CC(C)[N@@H+]1CCO[C@@H](COC(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000763268524 700932611 /nfs/dbraw/zinc/93/26/11/700932611.db2.gz SXNFQVWGTYCFOX-GFCCVEGCSA-N 1 0 323.349 1.443 20 5 DDBDRO CC[NH+](CC)CCOC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000772063654 701342615 /nfs/dbraw/zinc/34/26/15/701342615.db2.gz JDIQOZVWOFQXHL-UHFFFAOYSA-N 1 0 314.313 1.998 20 5 DDBDRO Cn1nncc1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000806659807 701444931 /nfs/dbraw/zinc/44/49/31/701444931.db2.gz FYFXIPRFANTXMC-UHFFFAOYSA-N 1 0 316.365 1.482 20 5 DDBDRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000807987421 701493421 /nfs/dbraw/zinc/49/34/21/701493421.db2.gz LHVZBCVGBFYGEC-SNVBAGLBSA-N 1 0 324.356 1.872 20 5 DDBDRO COC(C)(C)CN(C)C(=O)[C@@](C)(N)c1cccc([N+](=O)[O-])c1 ZINC000867927186 701834991 /nfs/dbraw/zinc/83/49/91/701834991.db2.gz CQMKMTHSYLNHSQ-HNNXBMFYSA-N 1 0 309.366 1.652 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000868088447 701934369 /nfs/dbraw/zinc/93/43/69/701934369.db2.gz AXDNCFXKSBGNCE-DGCLKSJQSA-N 1 0 320.349 1.962 20 5 DDBDRO Cc1cc(F)cc(C(=O)N2CC[C@H]3C[N@@H+](C)C[C@H]32)c1[N+](=O)[O-] ZINC000816953611 702237953 /nfs/dbraw/zinc/23/79/53/702237953.db2.gz KJWUOKUPMYUVMQ-GXFFZTMASA-N 1 0 307.325 1.818 20 5 DDBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CCS(=O)(=O)C1CC1 ZINC000840963623 702294704 /nfs/dbraw/zinc/29/47/04/702294704.db2.gz BBOYIHGHLMMUTQ-HWKANZROSA-N 1 0 310.375 1.775 20 5 DDBDRO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@@H](CO)[C@H]2CO)c1 ZINC000879362636 706661363 /nfs/dbraw/zinc/66/13/63/706661363.db2.gz XXLHLULSCNVKOX-SWLSCSKDSA-N 1 0 310.350 1.039 20 5 DDBDRO CCC[N@@H+]1CC[C@H](NC(=O)Cc2cccc(F)c2[N+](=O)[O-])C1 ZINC000869284010 702552773 /nfs/dbraw/zinc/55/27/73/702552773.db2.gz CCJDNDGOUJSJKJ-LBPRGKRZSA-N 1 0 309.341 1.877 20 5 DDBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC1(CC(N)=O)CC1 ZINC000866377889 706684854 /nfs/dbraw/zinc/68/48/54/706684854.db2.gz KRZLJFCYYVTTAG-JTQLQIEISA-N 1 0 309.341 1.910 20 5 DDBDRO CON(C)C(=O)[C@@H](C)[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866400229 706689776 /nfs/dbraw/zinc/68/97/76/706689776.db2.gz ZSQVIDKZGWIFJR-NXEZZACHSA-N 1 0 313.329 1.663 20 5 DDBDRO CO[C@](C)(CO)C[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866384613 706686698 /nfs/dbraw/zinc/68/66/98/706686698.db2.gz NECXOEOISHBPOZ-HZMBPMFUSA-N 1 0 300.330 1.652 20 5 DDBDRO CC(=O)N1CC[C@@H]([NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000866392818 706688218 /nfs/dbraw/zinc/68/82/18/706688218.db2.gz HXXWWGYBKJXMNQ-IINYFYTJSA-N 1 0 309.341 1.875 20 5 DDBDRO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(F)c2)[C@@H](C)C[N@@H+]1CCO ZINC000842163525 702678644 /nfs/dbraw/zinc/67/86/44/702678644.db2.gz PEVFRQXIONNIRI-NEPJUHHUSA-N 1 0 311.357 1.621 20 5 DDBDRO O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[C@@]3(CCC[NH2+]3)C2)c1 ZINC000842484747 702727691 /nfs/dbraw/zinc/72/76/91/702727691.db2.gz RBBRGSLKQAKRKU-ZDUSSCGKSA-N 1 0 311.363 1.111 20 5 DDBDRO O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCC2(CC[NH2+]2)CC1 ZINC000842511647 702730308 /nfs/dbraw/zinc/73/03/08/702730308.db2.gz BIACAUPZWLFTRD-UHFFFAOYSA-N 1 0 320.305 1.471 20 5 DDBDRO O=[N+]([O-])c1cc(-c2nc([C@@H]3CCC[NH2+]3)no2)cc([N+](=O)[O-])c1 ZINC000842645863 702749162 /nfs/dbraw/zinc/74/91/62/702749162.db2.gz NIEYZXLFYVMQFV-JTQLQIEISA-N 1 0 305.250 1.978 20 5 DDBDRO Cc1cc(S(=O)(=O)N[C@@H](C)[C@@H](C)[NH3+])cc([N+](=O)[O-])c1F ZINC000842882506 702786645 /nfs/dbraw/zinc/78/66/45/702786645.db2.gz QRPPQBPULQDFDA-SFYZADRCSA-N 1 0 305.331 1.056 20 5 DDBDRO CC[C@@H]([NH3+])CNS(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 ZINC000842886709 702787170 /nfs/dbraw/zinc/78/71/70/702787170.db2.gz HNKLEBDFBXYOIK-MRVPVSSYSA-N 1 0 305.331 1.058 20 5 DDBDRO C[C@@H]([NH3+])C[C@@H](C)NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000842913886 702790954 /nfs/dbraw/zinc/79/09/54/702790954.db2.gz JMDRIQQKFORBNU-HTQZYQBOSA-N 1 0 321.786 1.652 20 5 DDBDRO Cc1ccc(S(=O)(=O)NCCCCCC[NH3+])cc1[N+](=O)[O-] ZINC000842923297 702791394 /nfs/dbraw/zinc/79/13/94/702791394.db2.gz VZXWGUSPPFFYSW-UHFFFAOYSA-N 1 0 315.395 1.701 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@H]2c3ccccc3C[C@H]2O)c1 ZINC000843071381 702813431 /nfs/dbraw/zinc/81/34/31/702813431.db2.gz ZRZVUVYTTVLQAP-IKGGRYGDSA-N 1 0 314.341 1.876 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H](CO)Cc2ccccc2)c1 ZINC000843072958 702813802 /nfs/dbraw/zinc/81/38/02/702813802.db2.gz HUNSSXLCGYJNLN-NVXWUHKLSA-N 1 0 316.357 1.821 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@@]2(CCO)CCOC2)cc1 ZINC000843102298 702819310 /nfs/dbraw/zinc/81/93/10/702819310.db2.gz VUOZYJMYGYITCA-HUUCEWRRSA-N 1 0 310.350 1.007 20 5 DDBDRO [NH3+]CC1(c2nc(CCNc3ccccc3[N+](=O)[O-])no2)CC1 ZINC000843184648 702835929 /nfs/dbraw/zinc/83/59/29/702835929.db2.gz GQARGSMGMVZLOY-UHFFFAOYSA-N 1 0 303.322 1.623 20 5 DDBDRO COc1cc(Cc2noc(COCC[NH3+])n2)ccc1[N+](=O)[O-] ZINC000843192763 702838595 /nfs/dbraw/zinc/83/85/95/702838595.db2.gz YYJDTUJYEXJHPW-UHFFFAOYSA-N 1 0 308.294 1.053 20 5 DDBDRO Cc1cc(-c2noc(C[C@@H]3C[NH2+]CCO3)n2)cc([N+](=O)[O-])c1 ZINC000843239012 702847730 /nfs/dbraw/zinc/84/77/30/702847730.db2.gz CUUWGLHMLXDXOS-GFCCVEGCSA-N 1 0 304.306 1.484 20 5 DDBDRO O=C(CO[C@H]1CCC[NH2+]C1)NCCc1ccc([N+](=O)[O-])cc1 ZINC000843396905 702873758 /nfs/dbraw/zinc/87/37/58/702873758.db2.gz BYCKXPWCFKBWJF-AWEZNQCLSA-N 1 0 307.350 1.022 20 5 DDBDRO CN(CC(=O)NCCCCCC[NH3+])c1ccccc1[N+](=O)[O-] ZINC000843512520 702897760 /nfs/dbraw/zinc/89/77/60/702897760.db2.gz NXFMRZOTWSQLTB-UHFFFAOYSA-N 1 0 308.382 1.666 20 5 DDBDRO O=C1CC[C@H]([N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C(=O)N1 ZINC000831538570 706727882 /nfs/dbraw/zinc/72/78/82/706727882.db2.gz FEQNXDSZNFNWOX-OCCSQVGLSA-N 1 0 317.345 1.579 20 5 DDBDRO CCON(C)C(=O)C[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000846064980 703233266 /nfs/dbraw/zinc/23/32/66/703233266.db2.gz PGOIWTSFYAAPLR-WQLSENKSSA-N 1 0 307.350 1.998 20 5 DDBDRO [NH3+]C[C@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(F)(F)F ZINC000848438163 703550452 /nfs/dbraw/zinc/55/04/52/703550452.db2.gz BHAHTOLOGJXTFL-QMMMGPOBSA-N 1 0 322.199 1.122 20 5 DDBDRO C[NH2+]C(C)(C)CNC(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000848585745 703565841 /nfs/dbraw/zinc/56/58/41/703565841.db2.gz OMMGQBMBRBWBNH-UHFFFAOYSA-N 1 0 317.292 1.681 20 5 DDBDRO O=[N+]([O-])c1ccc(Cc2noc([C@@H]3C[C@@]34CCC[NH2+]C4)n2)nc1 ZINC000848624185 703569475 /nfs/dbraw/zinc/56/94/75/703569475.db2.gz RKYRFWMMZQJDSW-SWLSCSKDSA-N 1 0 315.333 1.821 20 5 DDBDRO CO[C@H](C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCOC1 ZINC000849328412 703635796 /nfs/dbraw/zinc/63/57/96/703635796.db2.gz ZMEBIKTUBPBNTK-AEGPPILISA-N 1 0 310.350 1.269 20 5 DDBDRO [NH3+]CCOc1cccc(NC(=O)CCn2cc([N+](=O)[O-])cn2)c1 ZINC000818543279 703923249 /nfs/dbraw/zinc/92/32/49/703923249.db2.gz ODMAFVVDUDVDSA-UHFFFAOYSA-N 1 0 319.321 1.158 20 5 DDBDRO CC[S@@](=O)CC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000819047612 704058447 /nfs/dbraw/zinc/05/84/47/704058447.db2.gz NEJWMBNCHPWBOS-OAQYLSRUSA-N 1 0 313.379 1.282 20 5 DDBDRO CC(C)(C)[S@@](=O)CC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819054789 704060827 /nfs/dbraw/zinc/06/08/27/704060827.db2.gz BOZXSKLQZYREFA-ASSNKEHSSA-N 1 0 314.407 1.765 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2CCc3c[nH]nc3C2)c1 ZINC000819155070 704077601 /nfs/dbraw/zinc/07/76/01/704077601.db2.gz OKXGSMGTSRQLQO-IUODEOHRSA-N 1 0 302.334 1.498 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)O[C@@H](C[NH+](C)C)C(C)C ZINC000870571242 704077797 /nfs/dbraw/zinc/07/77/97/704077797.db2.gz XWHUCVDTLRITCD-LBPRGKRZSA-N 1 0 312.370 1.619 20 5 DDBDRO CN(C)c1cccc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC000819188924 704083790 /nfs/dbraw/zinc/08/37/90/704083790.db2.gz BSTMLJBRYIWHSD-HNNXBMFYSA-N 1 0 316.361 1.879 20 5 DDBDRO CCOC(=O)N1CC[C@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000819240035 704092771 /nfs/dbraw/zinc/09/27/71/704092771.db2.gz ZBCJQGUZDWSKED-GXTWGEPZSA-N 1 0 323.349 1.449 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CCC2(O)CCOCC2)cc1 ZINC000819304000 704104064 /nfs/dbraw/zinc/10/40/64/704104064.db2.gz PTDNAJQNJCDPPD-AWEZNQCLSA-N 1 0 310.350 1.149 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H]2CCc3nc[nH]c3C2)c1 ZINC000819323309 704107233 /nfs/dbraw/zinc/10/72/33/704107233.db2.gz ZIBAMQBWSVVNRL-ABAIWWIYSA-N 1 0 302.334 1.498 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCC12CC(C1)C[NH2+]2 ZINC000852917592 704171767 /nfs/dbraw/zinc/17/17/67/704171767.db2.gz NDVUIPKAGYGVKJ-UHFFFAOYSA-N 1 0 304.350 1.143 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000870977350 704188486 /nfs/dbraw/zinc/18/84/86/704188486.db2.gz KPPLTCZPZUNFFP-ZSBIGDGJSA-N 1 0 319.361 1.864 20 5 DDBDRO COc1cc(N2CC[N@H+](CCO)C(C)(C)C2)c([N+](=O)[O-])cc1C ZINC000853511758 704255371 /nfs/dbraw/zinc/25/53/71/704255371.db2.gz TXRZNSURDDSKTH-UHFFFAOYSA-N 1 0 323.393 1.805 20 5 DDBDRO CN(CC1C[NH+](C)C1)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000853553395 704267144 /nfs/dbraw/zinc/26/71/44/704267144.db2.gz NXIHQQYHERNTGV-UHFFFAOYSA-N 1 0 318.175 1.005 20 5 DDBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000820502655 704291330 /nfs/dbraw/zinc/29/13/30/704291330.db2.gz BEJVOKYTSMJXLK-RISCZKNCSA-N 1 0 320.393 1.825 20 5 DDBDRO Cc1noc(COC(=O)CN(C)[C@@H]2CCSC2)c1[N+](=O)[O-] ZINC000853908122 704333581 /nfs/dbraw/zinc/33/35/81/704333581.db2.gz VQGXAPRBAIWVQL-SECBINFHSA-N 1 0 315.351 1.372 20 5 DDBDRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000855285677 704477459 /nfs/dbraw/zinc/47/74/59/704477459.db2.gz ICYWRCVLKSVKJF-SECBINFHSA-N 1 0 324.356 1.919 20 5 DDBDRO [NH3+]C/C=C\CNC(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857765705 704622136 /nfs/dbraw/zinc/62/21/36/704622136.db2.gz UMPXHJWONOSYPA-UPHRSURJSA-N 1 0 301.249 1.198 20 5 DDBDRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857765740 704622265 /nfs/dbraw/zinc/62/22/65/704622265.db2.gz JXWYJKCCMUEFJQ-KWQFWETISA-N 1 0 315.276 1.515 20 5 DDBDRO [NH3+]C[C@H](NC(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000857765969 704622299 /nfs/dbraw/zinc/62/22/99/704622299.db2.gz WAGCQYAPBHWSLS-NSHDSACASA-N 1 0 315.276 1.420 20 5 DDBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857767258 704622797 /nfs/dbraw/zinc/62/27/97/704622797.db2.gz BCGOPJHOGUNSLR-BDAKNGLRSA-N 1 0 317.292 1.808 20 5 DDBDRO Cc1ccc(O[C@H]2CC[N@H+](CCn3cc([N+](=O)[O-])cn3)C2)nc1 ZINC000858036706 704660606 /nfs/dbraw/zinc/66/06/06/704660606.db2.gz QWVURIQTNVLWPE-AWEZNQCLSA-N 1 0 317.349 1.648 20 5 DDBDRO C[C@H](NS(=O)(=O)CCC[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000867316804 706958390 /nfs/dbraw/zinc/95/83/90/706958390.db2.gz WYANODNCXZNYBF-NSHDSACASA-N 1 0 315.395 1.527 20 5 DDBDRO Nc1ccc(-c2noc([C@@H]3C[C@@]34CC[NH2+]C4)n2)cc1[N+](=O)[O-] ZINC000822640149 704994590 /nfs/dbraw/zinc/99/45/90/704994590.db2.gz LRVGTDKCSJEYPF-LKFCYVNXSA-N 1 0 301.306 1.694 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)cc1 ZINC000859888694 705031030 /nfs/dbraw/zinc/03/10/30/705031030.db2.gz JJPXQCLLLDAOGW-SGRMJCNGSA-N 1 0 324.402 1.614 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)cc1 ZINC000859888697 705031152 /nfs/dbraw/zinc/03/11/52/705031152.db2.gz JJPXQCLLLDAOGW-DQMOJMCFSA-N 1 0 324.402 1.614 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000874845027 705199236 /nfs/dbraw/zinc/19/92/36/705199236.db2.gz FFHMFTMKXKPHGU-KBPBESRZSA-N 1 0 319.361 1.912 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCC[C@H](n3ccnn3)C2)c1 ZINC000823469100 705250265 /nfs/dbraw/zinc/25/02/65/705250265.db2.gz OQPLJUWJXPHQFP-GJZGRUSLSA-N 1 0 317.349 1.557 20 5 DDBDRO COCC[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000823993472 705350739 /nfs/dbraw/zinc/35/07/39/705350739.db2.gz GITGJJPHZOYQIY-LLVKDONJSA-N 1 0 323.353 1.019 20 5 DDBDRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825379944 705658445 /nfs/dbraw/zinc/65/84/45/705658445.db2.gz UECFAZGVPIEYPG-XHDPSFHLSA-N 1 0 319.361 1.229 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000876863465 705896843 /nfs/dbraw/zinc/89/68/43/705896843.db2.gz GDVDGGDQWNWWLR-VIFPVBQESA-N 1 0 301.293 1.924 20 5 DDBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000827035607 705916204 /nfs/dbraw/zinc/91/62/04/705916204.db2.gz RPHTYFSOPSWULA-ONERCXAPSA-N 1 0 319.361 1.227 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)C[C@@H](C)[NH3+] ZINC000863566930 705959617 /nfs/dbraw/zinc/95/96/17/705959617.db2.gz AMVPQCOMOPBVGS-SNVBAGLBSA-N 1 0 310.354 1.211 20 5 DDBDRO CCCc1n[nH]c(C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000827321180 705974886 /nfs/dbraw/zinc/97/48/86/705974886.db2.gz USKDPSJOXSECDK-JQWIXIFHSA-N 1 0 321.381 1.437 20 5 DDBDRO CN(C(=O)CN1CC[C@@H]2CC[C@]21C[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000903858669 711305478 /nfs/dbraw/zinc/30/54/78/711305478.db2.gz XQQHKLUJDYMUGN-LRDDRELGSA-N 1 0 318.377 1.371 20 5 DDBDRO [NH3+]C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])s2)C[C@H]1C(F)(F)F ZINC000877366529 706082603 /nfs/dbraw/zinc/08/26/03/706082603.db2.gz KVPZFHGVMRFWNN-NKWVEPMBSA-N 1 0 323.296 1.866 20 5 DDBDRO COc1cc(C(=O)N[C@]23CCC[C@@H]2[NH2+]CC3)cc([N+](=O)[O-])c1C ZINC000877388900 706091589 /nfs/dbraw/zinc/09/15/89/706091589.db2.gz HHMLNGJKRSJVOW-HOCLYGCPSA-N 1 0 319.361 1.926 20 5 DDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@H]3[C@@H]4OC[C@H]5C[C@H]3C[C@H]45)C2)c1 ZINC000877681086 706178496 /nfs/dbraw/zinc/17/84/96/706178496.db2.gz DNKLFMPWBQKNNT-KJFYRARASA-N 1 0 304.350 1.508 20 5 DDBDRO COC(=O)CN1CCC([NH2+][C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000877827916 706226053 /nfs/dbraw/zinc/22/60/53/706226053.db2.gz ZXRZZYNXMKHCNX-GFCCVEGCSA-N 1 0 321.377 1.883 20 5 DDBDRO C[C@H](NC(=O)COC1CC[NH+](C)CC1)c1ccccc1[N+](=O)[O-] ZINC000828902694 706252959 /nfs/dbraw/zinc/25/29/59/706252959.db2.gz RUXCUZWCTQCBAP-LBPRGKRZSA-N 1 0 321.377 1.883 20 5 DDBDRO CC(=O)c1c([N+](=O)[O-])cccc1N1CCC[N@H+](CCO)CC1 ZINC000881923541 707427058 /nfs/dbraw/zinc/42/70/58/707427058.db2.gz BVSHHMJZNZDBDG-UHFFFAOYSA-N 1 0 307.350 1.302 20 5 DDBDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000867147790 706909342 /nfs/dbraw/zinc/90/93/42/706909342.db2.gz OJTOCWCQVJXYPU-QWRGUYRKSA-N 1 0 309.341 1.827 20 5 DDBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000867147788 706909432 /nfs/dbraw/zinc/90/94/32/706909432.db2.gz OJTOCWCQVJXYPU-GHMZBOCLSA-N 1 0 309.341 1.827 20 5 DDBDRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CCO1 ZINC000834316676 707029266 /nfs/dbraw/zinc/02/92/66/707029266.db2.gz JYRZZLSRKLUXMU-KCJUWKMLSA-N 1 0 313.741 1.436 20 5 DDBDRO Cc1cc(C(=O)NCC23CCC[NH+]2CCC3)c(N)c([N+](=O)[O-])c1 ZINC000834752286 707110076 /nfs/dbraw/zinc/11/00/76/707110076.db2.gz LLHUAHSTPRJFNL-UHFFFAOYSA-N 1 0 318.377 1.844 20 5 DDBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000926945092 712921821 /nfs/dbraw/zinc/92/18/21/712921821.db2.gz SXWODINYEMKDHY-AZLWOZFGSA-N 1 0 304.346 1.976 20 5 DDBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872149164 707302776 /nfs/dbraw/zinc/30/27/76/707302776.db2.gz MKRRJWKLQGEKCZ-MQIPJXDCSA-N 1 0 318.377 1.463 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@]23CCC[C@H]2OCC3)c1 ZINC000872310334 707375265 /nfs/dbraw/zinc/37/52/65/707375265.db2.gz WVEZOAUOVXMFAI-IMJJTQAJSA-N 1 0 322.361 1.636 20 5 DDBDRO C[C@H]1C[C@H](N2CCOCC2)CN1c1ccnc(F)c1[N+](=O)[O-] ZINC000882351395 707597018 /nfs/dbraw/zinc/59/70/18/707597018.db2.gz RQZXJOFLJBQHOP-QWRGUYRKSA-N 1 0 310.329 1.428 20 5 DDBDRO Cc1cc(F)cc(C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1[N+](=O)[O-] ZINC000837307072 707617754 /nfs/dbraw/zinc/61/77/54/707617754.db2.gz XYQCWTAPSBBZGP-GHMZBOCLSA-N 1 0 307.325 1.724 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H](O)c1cnn(C)c1 ZINC000873061306 707714099 /nfs/dbraw/zinc/71/40/99/707714099.db2.gz RJGVWCHKYBGZQT-OAHLLOKOSA-N 1 0 304.350 1.768 20 5 DDBDRO O=[N+]([O-])c1cc(CO)c(NC[C@H]2CSCC[NH2+]2)cc1F ZINC000882728103 707764045 /nfs/dbraw/zinc/76/40/45/707764045.db2.gz OACUVWLWTLIPQK-VIFPVBQESA-N 1 0 301.343 1.343 20 5 DDBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000883896427 708078245 /nfs/dbraw/zinc/07/82/45/708078245.db2.gz PDJDVDXFZOORNF-CYBMUJFWSA-N 1 0 318.377 1.757 20 5 DDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@@H]3C=C[C@H]4C[C@@H]3CO4)C2)c1 ZINC000896851884 708164739 /nfs/dbraw/zinc/16/47/39/708164739.db2.gz XOYAEVCMNHAKFJ-XILHMQAWSA-N 1 0 304.350 1.676 20 5 DDBDRO CC(C)[NH2+]C1(CO)CCN(Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886226305 708719245 /nfs/dbraw/zinc/71/92/45/708719245.db2.gz KSUAXPLSMHEKKN-UHFFFAOYSA-N 1 0 308.382 1.315 20 5 DDBDRO O=[N+]([O-])c1cccnc1N1CC[NH+](C[C@@H]2C[C@]23CCOC3)CC1 ZINC000886239278 708722019 /nfs/dbraw/zinc/72/20/19/708722019.db2.gz SWRKTWJWYWZMHB-BBRMVZONSA-N 1 0 318.377 1.538 20 5 DDBDRO C[C@@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000912651653 713060772 /nfs/dbraw/zinc/06/07/72/713060772.db2.gz XQYLJZKSJJCBME-MNOVXSKESA-N 1 0 309.370 1.653 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000886823104 708854042 /nfs/dbraw/zinc/85/40/42/708854042.db2.gz ZAIWXAMQLVNYLE-GXTWGEPZSA-N 1 0 307.350 1.257 20 5 DDBDRO Cc1noc(CN2CCN(c3cc[nH+]cc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000887135149 708968828 /nfs/dbraw/zinc/96/88/28/708968828.db2.gz WZUYIXZBHMPDHW-NSHDSACASA-N 1 0 317.349 1.997 20 5 DDBDRO Cn1c2ccccc2c(N2CCC[N@H+](C)CC2)c([N+](=O)[O-])c1=O ZINC000891439004 710201242 /nfs/dbraw/zinc/20/12/42/710201242.db2.gz YYIHCOFHNKQYSY-UHFFFAOYSA-N 1 0 316.361 1.589 20 5 DDBDRO C[NH2+]CCOCCN(C)C(=O)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000892536925 710454036 /nfs/dbraw/zinc/45/40/36/710454036.db2.gz MIDXQTZEYPSJDY-UHFFFAOYSA-N 1 0 324.381 1.281 20 5 DDBDRO C[C@@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000893015488 710541567 /nfs/dbraw/zinc/54/15/67/710541567.db2.gz SSZIEWKEXDUYBI-NEPJUHHUSA-N 1 0 323.397 1.663 20 5 DDBDRO C[C@@H]1[C@@H](NC(=O)CCNc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000928453564 713204271 /nfs/dbraw/zinc/20/42/71/713204271.db2.gz OWSUDWXEZYAJAP-NEPJUHHUSA-N 1 0 306.366 1.606 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC(C)([NH+](C)C)CC1 ZINC000913399201 713208268 /nfs/dbraw/zinc/20/82/68/713208268.db2.gz WGXOLVBDMBATNY-UHFFFAOYSA-N 1 0 323.397 1.433 20 5 DDBDRO Cc1c(OC(=O)COC2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000902719929 710877650 /nfs/dbraw/zinc/87/76/50/710877650.db2.gz ZRSITCYWJPVHJC-UHFFFAOYSA-N 1 0 308.334 1.919 20 5 DDBDRO COc1cc([C@H](C)[NH2+]CCN2CCO[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000903090395 711029407 /nfs/dbraw/zinc/02/94/07/711029407.db2.gz ABFQZIFQZAACOO-STQMWFEESA-N 1 0 323.393 1.975 20 5 DDBDRO Cc1c([C@@H](C)[NH2+]C[C@@]2(CO)COCCN2C)cccc1[N+](=O)[O-] ZINC000903281682 711087673 /nfs/dbraw/zinc/08/76/73/711087673.db2.gz QNELQHXXAUFZJM-CZUORRHYSA-N 1 0 323.393 1.247 20 5 DDBDRO COCC[C@@H]1C[NH2+]CCN1Cc1cc([N+](=O)[O-])ccc1OC ZINC000903831232 711294538 /nfs/dbraw/zinc/29/45/38/711294538.db2.gz QAMAGPKILRXCPV-CQSZACIVSA-N 1 0 309.366 1.414 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(N2CC[NH+](CCCCCO)CC2)n1 ZINC000894964149 711341589 /nfs/dbraw/zinc/34/15/89/711341589.db2.gz LGGMVZCOBRFCEK-UHFFFAOYSA-N 1 0 308.382 1.583 20 5 DDBDRO O=[N+]([O-])c1ccc(CN[C@@H]2C[NH2+]CC3(CCOCC3)C2)cc1 ZINC000903973428 711353252 /nfs/dbraw/zinc/35/32/52/711353252.db2.gz CXPIJESCRINKIT-AWEZNQCLSA-N 1 0 305.378 1.843 20 5 DDBDRO C[C@H]1[C@@H](Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC[N@@H+]1C ZINC000895737879 711591293 /nfs/dbraw/zinc/59/12/93/711591293.db2.gz GDCHUZWKTVPIMR-ONGXEEELSA-N 1 0 304.350 1.984 20 5 DDBDRO C[C@@H]1[C@H](Nc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC[N@@H+]1C ZINC000895739555 711591880 /nfs/dbraw/zinc/59/18/80/711591880.db2.gz GWAMZUUMLUEGIS-RKDXNWHRSA-N 1 0 306.322 1.430 20 5 DDBDRO O=C(NC12CC[NH+](CC1)C2)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000913637318 713274016 /nfs/dbraw/zinc/27/40/16/713274016.db2.gz DZECRFCHRZSECX-UHFFFAOYSA-N 1 0 315.373 1.981 20 5 DDBDRO O=[N+]([O-])c1c(F)nccc1NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000896526573 711738964 /nfs/dbraw/zinc/73/89/64/711738964.db2.gz YXEGEJLLAPNSRL-LLVKDONJSA-N 1 0 310.329 1.794 20 5 DDBDRO CN(C)c1ccnc(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000905524619 712064480 /nfs/dbraw/zinc/06/44/80/712064480.db2.gz KFIUFXKJNNRSSA-MRXNPFEDSA-N 1 0 316.361 1.879 20 5 DDBDRO C[C@]1(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCCCO1 ZINC000905592419 712088640 /nfs/dbraw/zinc/08/86/40/712088640.db2.gz YXPCYLDMRHDKIQ-GOEBONIOSA-N 1 0 324.377 1.883 20 5 DDBDRO C[C@@H](C[NH2+]C[C@@H](O)CN(C)C1CC1)c1ccccc1[N+](=O)[O-] ZINC000905641478 712104144 /nfs/dbraw/zinc/10/41/44/712104144.db2.gz CABSFQQWJAYODW-GXTWGEPZSA-N 1 0 307.394 1.743 20 5 DDBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@@H]2COC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000905864734 712169140 /nfs/dbraw/zinc/16/91/40/712169140.db2.gz FTAJOIXJCNTKFP-XHVZSJERSA-N 1 0 307.350 1.855 20 5 DDBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000908123563 712693386 /nfs/dbraw/zinc/69/33/86/712693386.db2.gz CUROJBWGSDJAMX-CZUORRHYSA-N 1 0 321.377 1.051 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C[C@H](O)c2ccco2)c1 ZINC000915223426 713413527 /nfs/dbraw/zinc/41/35/27/713413527.db2.gz JIVUAODLYVAKII-JSGCOSHPSA-N 1 0 322.317 1.251 20 5 DDBDRO C[C@H]1[C@@H](NC(=O)NCCc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000920599391 713682118 /nfs/dbraw/zinc/68/21/18/713682118.db2.gz TUYFZWKSOOISLL-AAEUAGOBSA-N 1 0 306.366 1.529 20 5 DDBDRO Cc1cc(NC(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000930732764 713905958 /nfs/dbraw/zinc/90/59/58/713905958.db2.gz VEPRLZDDTHALIN-TXEJJXNPSA-N 1 0 304.350 1.929 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC[C@@H]1CC(=O)N(C)C1 ZINC000922487812 714068414 /nfs/dbraw/zinc/06/84/14/714068414.db2.gz FEHITYKRTZONJK-GFCCVEGCSA-N 1 0 321.377 1.952 20 5 DDBDRO CCOc1cc(C[NH2+][C@@H]2C(=O)NCC2(C)C)ccc1[N+](=O)[O-] ZINC000931655230 714150731 /nfs/dbraw/zinc/15/07/31/714150731.db2.gz ORFINLDGLRKPNY-CYBMUJFWSA-N 1 0 307.350 1.608 20 5 DDBDRO C[NH2+]C[C@H]1CCCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000923282762 714296798 /nfs/dbraw/zinc/29/67/98/714296798.db2.gz QDOUDZIFZOLSPF-KGLIPLIRSA-N 1 0 323.393 1.266 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)CN(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000923328770 714316187 /nfs/dbraw/zinc/31/61/87/714316187.db2.gz CTUGFSJHHURMDF-ZIAGYGMSSA-N 1 0 321.377 1.161 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000923361415 714327619 /nfs/dbraw/zinc/32/76/19/714327619.db2.gz RASRQCFTUJGZMY-KCQAQPDRSA-N 1 0 321.377 1.018 20 5 DDBDRO O=C1NC[C@H](O)CC12CC[NH+](Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC000932838714 714423477 /nfs/dbraw/zinc/42/34/77/714423477.db2.gz CMTVUWYZNSKGBX-CQSZACIVSA-N 1 0 319.361 1.058 20 5 DDBDRO C[C@@H](c1ccc([N+](=O)[O-])cc1)N1C(=O)N[C@@H](C[NH+](C)C)C1=O ZINC000924902046 714692576 /nfs/dbraw/zinc/69/25/76/714692576.db2.gz VTEBIXBOFNECRJ-CABZTGNLSA-N 1 0 306.322 1.138 20 5 DDBDRO O=[N+]([O-])c1cccc(CN2CC[C@H]3[C@H]2CCC[N@H+]3CCO)c1 ZINC000934255649 714776602 /nfs/dbraw/zinc/77/66/02/714776602.db2.gz UYKMPXXWQJCOLF-CVEARBPZSA-N 1 0 305.378 1.626 20 5 DDBDRO O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@@H]3[C@H]2CCCN3CCO)cc1 ZINC000934259195 714778411 /nfs/dbraw/zinc/77/84/11/714778411.db2.gz HHRNWSJIZRUSNC-IAGOWNOFSA-N 1 0 319.405 1.668 20 5 DDBDRO C[C@@H](C[C@@H]1CCC(=O)N1)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000925382650 714836692 /nfs/dbraw/zinc/83/66/92/714836692.db2.gz MHTAKUHZWJZBLH-RYUDHWBXSA-N 1 0 307.350 1.620 20 5 DDBDRO C[N@@H+]1CCO[C@@H]2CN(c3nccc4ccc([N+](=O)[O-])cc43)C[C@@H]21 ZINC000591186751 719426851 /nfs/dbraw/zinc/42/68/51/719426851.db2.gz XOBFLWRFKXMHKS-LSDHHAIUSA-N 1 0 314.345 1.662 20 5 DDBDRO COC(=O)c1cnc(N2CCC[C@@H]([NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000276626181 721888784 /nfs/dbraw/zinc/88/87/84/721888784.db2.gz VJXIZCICROXMTR-LLVKDONJSA-N 1 0 308.338 1.307 20 5 DDBDRO COc1nc(C)c([N+](=O)[O-])c(N2CCC(C[NH+](C)C)CC2)n1 ZINC001165042185 721945472 /nfs/dbraw/zinc/94/54/72/721945472.db2.gz QIRJBHAABJGFDS-UHFFFAOYSA-N 1 0 309.370 1.480 20 5 DDBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccccc2F)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001022061530 734366919 /nfs/dbraw/zinc/36/69/19/734366919.db2.gz MJSXMQJWAVVYHF-GFQSEFKGSA-N 1 0 307.325 1.228 20 5 DDBDRO O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1cc[nH]c(=O)c1 ZINC001125606211 734767787 /nfs/dbraw/zinc/76/77/87/734767787.db2.gz XANRXZYNZMZENL-UHFFFAOYSA-N 1 0 322.346 1.277 20 5 DDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@H]2CCC[C@@H](C1)[N@H+]2CC1CCCC1 ZINC001039583171 735103527 /nfs/dbraw/zinc/10/35/27/735103527.db2.gz FRPVYODUZSDOOJ-QKPAOTATSA-N 1 0 321.421 1.907 20 5 DDBDRO O=C(NCC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)C1CC1 ZINC001167778647 738255249 /nfs/dbraw/zinc/25/52/49/738255249.db2.gz JZEUDNPHWHDTPD-GFCCVEGCSA-N 1 0 319.365 1.002 20 5 DDBDRO O=[N+]([O-])c1cc2c(cc1NCCN1CCSCC1)C[NH2+]C2 ZINC001167837570 738998555 /nfs/dbraw/zinc/99/85/55/738998555.db2.gz SAPPMTPCCCUNQU-UHFFFAOYSA-N 1 0 308.407 1.659 20 5 DDBDRO COC1(CC(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)CCC1 ZINC001126312655 739029444 /nfs/dbraw/zinc/02/94/44/739029444.db2.gz RXGRMUYXOYUADV-UHFFFAOYSA-N 1 0 321.377 1.760 20 5 DDBDRO N=C(Nc1nccc(Br)c1[N+](=O)[O-])SCC[NH3+] ZINC001167912022 739311335 /nfs/dbraw/zinc/31/13/35/739311335.db2.gz JGTWJHSCFTZJJQ-UHFFFAOYSA-N 1 0 320.172 1.791 20 5 DDBDRO O=C(NCC[NH2+]CCCCc1ccccc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126936819 742839040 /nfs/dbraw/zinc/83/90/40/742839040.db2.gz SNFLAFUVRHQKHK-HUUCEWRRSA-N 1 0 305.378 1.380 20 5 DDBDRO O=[N+]([O-])c1cccnc1-c1nc(-c2ccc3c(n2)CC[NH2+]C3)no1 ZINC001213201676 744025901 /nfs/dbraw/zinc/02/59/01/744025901.db2.gz OXTSWJINLKRRKU-UHFFFAOYSA-N 1 0 324.300 1.748 20 5 DDBDRO C[C@@H](O)[C@H](C)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001194723994 746450133 /nfs/dbraw/zinc/45/01/33/746450133.db2.gz PKXDHVRPLYZCIT-NWDGAFQWSA-N 1 0 307.350 1.122 20 5 DDBDRO O=C(NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccc(F)nc1 ZINC001124937316 748679270 /nfs/dbraw/zinc/67/92/70/748679270.db2.gz UHCQYMGNXJHFFD-UHFFFAOYSA-N 1 0 318.308 1.649 20 5 DDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([NH2+]Cc2ccsc2)CC1 ZINC000996442558 749576602 /nfs/dbraw/zinc/57/66/02/749576602.db2.gz XSKZWOTYJJZVFO-CHWSQXEVSA-N 1 0 309.391 1.494 20 5 DDBDRO CCOc1ccc([C@@H](CO)[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)cn1 ZINC001168961691 762156246 /nfs/dbraw/zinc/15/62/46/762156246.db2.gz JQHIDOGZZRBOAJ-KWCYVHTRSA-N 1 0 309.366 1.549 20 5 DDBDRO O=C(c1ccccc1)N1CC[C@@H]([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168994087 762167841 /nfs/dbraw/zinc/16/78/41/762167841.db2.gz OXBJRBWPMOGJKW-VNQPRFMTSA-N 1 0 317.389 1.936 20 5 DDBDRO COC(=O)C[C@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccccn1 ZINC001168996536 762168741 /nfs/dbraw/zinc/16/87/41/762168741.db2.gz VOYNGRVKLICQBV-SCRDCRAPSA-N 1 0 307.350 1.721 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CC[C@]3(CCN3c3ncccn3)C2)C1 ZINC001169019739 762199853 /nfs/dbraw/zinc/19/98/53/762199853.db2.gz JEJZIQYLZAAPHA-YCPHGPKFSA-N 1 0 317.393 1.577 20 5 DDBDRO CCN1CCC2(CC[NH+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)C1=O ZINC001169046355 762205058 /nfs/dbraw/zinc/20/50/58/762205058.db2.gz KYGBJOQIKMRWJD-KGLIPLIRSA-N 1 0 309.410 1.766 20 5 DDBDRO [NH3+][C@@H](CO)Cc1cncn1-c1cc2cccnc2c([N+](=O)[O-])c1 ZINC001169073735 762221314 /nfs/dbraw/zinc/22/13/14/762221314.db2.gz BETPUZBDRMKWTL-LLVKDONJSA-N 1 0 313.317 1.191 20 5 DDBDRO O=[N+]([O-])c1cncc(Cl)c1NCc1ncn2c1C[NH2+]CCC2 ZINC001169242317 762306956 /nfs/dbraw/zinc/30/69/56/762306956.db2.gz HNQRHNTYTYXDQY-UHFFFAOYSA-N 1 0 322.756 1.367 20 5 DDBDRO O=C(N[C@H]1C[C@H]([NH2+]CC2CC3(CCC3)C2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001020139988 760614017 /nfs/dbraw/zinc/61/40/17/760614017.db2.gz RXJYMGCZGUEGKS-AAVRWANBSA-N 1 0 307.394 1.469 20 5 DDBDRO O=C(NC[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)C1CC1 ZINC001086288342 761296318 /nfs/dbraw/zinc/29/63/18/761296318.db2.gz REGOTPNLBJNBLZ-MQMHXKEQSA-N 1 0 303.362 1.989 20 5 DDBDRO Cc1ccncc1C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001086363099 761492466 /nfs/dbraw/zinc/49/24/66/761492466.db2.gz BNZXKZNVSYMNQE-NMFUWQPSSA-N 1 0 318.377 1.040 20 5 DDBDRO O=C(NC[C@H]1C[C@H]([NH2+]CCc2cccs2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001086363573 761499416 /nfs/dbraw/zinc/49/94/16/761499416.db2.gz BIVXXNVEPIQHQK-HBJVGIJOSA-N 1 0 323.418 1.440 20 5 DDBDRO COCC(C)(C)CC(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001131725191 768293548 /nfs/dbraw/zinc/29/35/48/768293548.db2.gz CTYMMPXDSKFTNT-UHFFFAOYSA-N 1 0 323.393 1.863 20 5 DDBDRO COc1ccc(C[C@H](C)[NH2+][C@H]2CCC(=O)N(C)C2)c([N+](=O)[O-])c1 ZINC001170308792 766259645 /nfs/dbraw/zinc/25/96/45/766259645.db2.gz PCCCETFXJDWKER-AAEUAGOBSA-N 1 0 321.377 1.745 20 5 DDBDRO Cc1c(CC[NH3+])c(=O)[nH]n1-c1ncc(C(C)(C)C)cc1[N+](=O)[O-] ZINC001170339525 766273017 /nfs/dbraw/zinc/27/30/17/766273017.db2.gz CTUYAJZHDZABKP-UHFFFAOYSA-N 1 0 319.365 1.988 20 5 DDBDRO [NH3+]Cc1ccc2c(n1)N(c1nc(Cl)ncc1[N+](=O)[O-])CCC2 ZINC001158647157 768955100 /nfs/dbraw/zinc/95/51/00/768955100.db2.gz INNGCXKUCOAVQR-UHFFFAOYSA-N 1 0 320.740 1.976 20 5 DDBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@H]1C[C@H]2C[C@H]2C1 ZINC001132678687 769086645 /nfs/dbraw/zinc/08/66/45/769086645.db2.gz HBIRBTCGEWXNGT-WDNDVIMCSA-N 1 0 303.362 1.847 20 5 DDBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C1(CF)CCC1 ZINC001134040839 770579368 /nfs/dbraw/zinc/57/93/68/770579368.db2.gz WBWKHRJYRUUBDP-UHFFFAOYSA-N 1 0 309.341 1.940 20 5 DDBDRO COC(=O)COc1c(C)cc(NCC[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC001170893730 771895480 /nfs/dbraw/zinc/89/54/80/771895480.db2.gz DMZLKMUKIMRHFZ-SNVBAGLBSA-N 1 0 311.338 1.604 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC001136342456 771942465 /nfs/dbraw/zinc/94/24/65/771942465.db2.gz RAUSYUYVGUBVAY-NSHDSACASA-N 1 0 307.350 1.675 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])c(NC[C@H]2CCCC[NH2+]2)cc1OC ZINC001171336187 773582880 /nfs/dbraw/zinc/58/28/80/773582880.db2.gz YNEUFPVVJKQBCB-SNVBAGLBSA-N 1 0 323.349 1.944 20 5 DDBDRO Cc1ccc(NCCNC(=O)COCC[NH+](C)C)c([N+](=O)[O-])c1 ZINC001093750415 775052948 /nfs/dbraw/zinc/05/29/48/775052948.db2.gz YZBOBLYHPJKZNP-UHFFFAOYSA-N 1 0 324.381 1.010 20 5 DDBDRO Cc1ccnc(NCCCNC(=O)C[NH+]2CCCC2)c1[N+](=O)[O-] ZINC001094434872 775860403 /nfs/dbraw/zinc/86/04/03/775860403.db2.gz WIVWQNVQTBZDNF-UHFFFAOYSA-N 1 0 321.381 1.312 20 5 DDBDRO CCN(CCNC(=O)CCC[NH+](C)C)c1ncccc1[N+](=O)[O-] ZINC001100706847 776456163 /nfs/dbraw/zinc/45/61/63/776456163.db2.gz BPOBNTFCNNEHIA-UHFFFAOYSA-N 1 0 323.397 1.274 20 5 DDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1COCCC12OCCO2 ZINC001173216288 777048145 /nfs/dbraw/zinc/04/81/45/777048145.db2.gz IFAQVLHGRDXTGB-SWLSCSKDSA-N 1 0 322.361 1.647 20 5 DDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@]1(C)CCC(=O)NC1=O ZINC001173218509 777050385 /nfs/dbraw/zinc/05/03/85/777050385.db2.gz KGSOYYMSSVODBU-BONVTDFDSA-N 1 0 305.334 1.311 20 5 DDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1CN(c2ccncn2)C1 ZINC001173225553 777061476 /nfs/dbraw/zinc/06/14/76/777061476.db2.gz RRIGXTPIOZPDBV-LBPRGKRZSA-N 1 0 313.361 1.794 20 5 DDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC2(CNC(=O)N2)CC1 ZINC001173233838 777064965 /nfs/dbraw/zinc/06/49/65/777064965.db2.gz ZPGGWBGUWARNPU-GFCCVEGCSA-N 1 0 318.377 1.673 20 5 DDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCCc1c[nH][nH]c1=O ZINC001173214232 777068195 /nfs/dbraw/zinc/06/81/95/777068195.db2.gz NRJILVNRLSXEAK-AAEUAGOBSA-N 1 0 304.350 1.627 20 5 DDBDRO CC[N@H+](C)CCC(=O)N(C)CCNc1ccc([N+](=O)[O-])cn1 ZINC001101757067 777479785 /nfs/dbraw/zinc/47/97/85/777479785.db2.gz YDOHQROQQUKOGN-UHFFFAOYSA-N 1 0 309.370 1.202 20 5 DDBDRO CN(CCNc1ccc([N+](=O)[O-])cn1)C(=O)CCC[NH+](C)C ZINC001101938734 777702423 /nfs/dbraw/zinc/70/24/23/777702423.db2.gz DEMBCVUVSUSCLY-UHFFFAOYSA-N 1 0 309.370 1.202 20 5 DDBDRO NC(=O)[C@]12CCC[C@H]1C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC001176556450 778180516 /nfs/dbraw/zinc/18/05/16/778180516.db2.gz YDQDVIGRLOOVNS-BJJXKVORSA-N 1 0 319.361 1.216 20 5 DDBDRO CCc1nccn1CCNC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001177513636 778629785 /nfs/dbraw/zinc/62/97/85/778629785.db2.gz GEHYSYZMAPZTPR-UHFFFAOYSA-N 1 0 303.322 1.366 20 5 DDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC001177879695 778790278 /nfs/dbraw/zinc/79/02/78/778790278.db2.gz LRMQPRZYZVIHOM-WCQYABFASA-N 1 0 318.377 1.945 20 5 DDBDRO C[NH+](C)C1CN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C1 ZINC001119531743 781498147 /nfs/dbraw/zinc/49/81/47/781498147.db2.gz CPAZTWXORVDVED-UHFFFAOYSA-N 1 0 301.705 1.773 20 5 DDBDRO CC(C)[N@H+](C)CC(=O)NCCN(C)Cc1ccccc1[N+](=O)[O-] ZINC001267232729 837574715 /nfs/dbraw/zinc/57/47/15/837574715.db2.gz LKBSCJFDHXQLMX-UHFFFAOYSA-N 1 0 322.409 1.483 20 5 DDBDRO CCCN(C(=O)c1[nH]nc([N+](=O)[O-])c1Cl)[C@H]1CC[N@H+](C)C1 ZINC001143030063 861347033 /nfs/dbraw/zinc/34/70/33/861347033.db2.gz XXPAUMJIWTYUJH-QMMMGPOBSA-N 1 0 315.761 1.528 20 5 DDBDRO Cc1c(C(=O)Nc2c([N+](=O)[O-])ncn2C)ccc2c[nH+]cn21 ZINC001128883203 848121974 /nfs/dbraw/zinc/12/19/74/848121974.db2.gz YHBXZKSQALJJCM-UHFFFAOYSA-N 1 0 300.278 1.537 20 5 DDBDRO O=[N+]([O-])c1ccc2nc(N[C@@H]3COCCC34C[NH2+]C4)cnc2c1 ZINC001155461015 862111752 /nfs/dbraw/zinc/11/17/52/862111752.db2.gz GQOMLHJSOADBNM-CYBMUJFWSA-N 1 0 315.333 1.328 20 5 DDBDRO O=[N+]([O-])c1c[nH]c2ccc(NCC[C@@H]3CCOC34C[NH2+]C4)nc21 ZINC001155478078 862137040 /nfs/dbraw/zinc/13/70/40/862137040.db2.gz RPDQFJQVFKIUQS-SNVBAGLBSA-N 1 0 317.349 1.652 20 5 DDBDRO O=[N+]([O-])c1cnc(Cl)nc1NCc1noc2c1C[NH2+]CC2 ZINC001155495170 862158208 /nfs/dbraw/zinc/15/82/08/862158208.db2.gz OEMJFBILDKAUEU-UHFFFAOYSA-N 1 0 310.701 1.284 20 5 DDBDRO Nc1nc(NC[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)ccc1[N+](=O)[O-] ZINC001155595352 862272051 /nfs/dbraw/zinc/27/20/51/862272051.db2.gz CGTSKFFXUJSARD-IINYFYTJSA-N 1 0 307.354 1.143 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N(C)CCCn2ccnc2)n1 ZINC001150511253 862288654 /nfs/dbraw/zinc/28/86/54/862288654.db2.gz RCEZMURNGXLDOV-UHFFFAOYSA-N 1 0 303.322 1.657 20 5 DDBDRO COc1nc(N[C@H]2CCO[C@@]3(CC[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC001155618917 862299237 /nfs/dbraw/zinc/29/92/37/862299237.db2.gz NEDPDDGRXXLSIQ-HZMBPMFUSA-N 1 0 308.338 1.321 20 5 DDBDRO Cc1nc(N2CCO[C@@H](CCC[NH+](C)C)C2)ncc1[N+](=O)[O-] ZINC001328070390 862674671 /nfs/dbraw/zinc/67/46/71/862674671.db2.gz BBMUQYVDLAFORP-LBPRGKRZSA-N 1 0 309.370 1.240 20 5 DDBDRO Nc1nc(N2CC[NH2+]C[C@@H]2c2cccs2)ccc1[N+](=O)[O-] ZINC001156097361 862719080 /nfs/dbraw/zinc/71/90/80/862719080.db2.gz HXZDEJJSCLKXQG-SNVBAGLBSA-N 1 0 305.363 1.784 20 5 DDBDRO CCOC(=O)c1ccnc(N(CCC[NH3+])C(C)C)c1[N+](=O)[O-] ZINC001156124728 862739834 /nfs/dbraw/zinc/73/98/34/862739834.db2.gz TZXXGIFTTRXURA-UHFFFAOYSA-N 1 0 310.354 1.730 20 5 DDBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NCC[C@H]1CSCC[NH2+]1 ZINC001122001890 858657401 /nfs/dbraw/zinc/65/74/01/858657401.db2.gz VKOXTLNYSLCUPT-RJNRQISESA-N 1 0 321.402 1.819 20 5 DDBDRO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)COc1cccc([N+](=O)[O-])c1)C2 ZINC001122318062 858750238 /nfs/dbraw/zinc/75/02/38/858750238.db2.gz XJQKJFFHZVKHTN-GVXVVHGQSA-N 1 0 305.334 1.312 20 5 DDBDRO CC(C)Cn1c(C[N+](=O)[O-])nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001122729752 858951605 /nfs/dbraw/zinc/95/16/05/858951605.db2.gz BTFWSJPXJCJCJN-UHFFFAOYSA-N 1 0 324.429 1.678 20 5 DDBDRO Cc1cc(CC(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)no1 ZINC001124999397 859866334 /nfs/dbraw/zinc/86/63/34/859866334.db2.gz RYXAVBHAGOQQRD-UHFFFAOYSA-N 1 0 318.333 1.340 20 5 DDBDRO COCCC(=O)NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001276986181 881478001 /nfs/dbraw/zinc/47/80/01/881478001.db2.gz RVADKOBJWMVKJW-UHFFFAOYSA-N 1 0 307.350 1.370 20 5 DDBDRO CC(C)OC(=O)C[C@@H](OCC[N+](C)(C)C)C(=O)OC(C)C ZINC001224771772 881526873 /nfs/dbraw/zinc/52/68/73/881526873.db2.gz RXRQBAWYDTYVKE-CYBMUJFWSA-N 1 0 304.407 1.371 20 5 DDBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N2C[C@H]3CCC[N@@H+](C)[C@@H]3C2)n1 ZINC001157260241 863688650 /nfs/dbraw/zinc/68/86/50/863688650.db2.gz INIQPVVXJDNMCV-NXEZZACHSA-N 1 0 311.773 1.877 20 5 DDBDRO O=[N+]([O-])c1cnc(N(c2cnccn2)C2CC[NH2+]CC2)c(F)c1 ZINC001157538214 863899130 /nfs/dbraw/zinc/89/91/30/863899130.db2.gz XIHPGFXIMHBAMY-UHFFFAOYSA-N 1 0 318.312 1.809 20 5 DDBDRO O=C(NCCC[NH2+]CC/C=C\c1ccccc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157767503 864117700 /nfs/dbraw/zinc/11/77/00/864117700.db2.gz PCNYGMQTINUUFC-JKUHXPQUSA-N 1 0 317.389 1.851 20 5 DDBDRO Cc1ccc(C[NH2+]CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1F ZINC001157767504 864118148 /nfs/dbraw/zinc/11/81/48/864118148.db2.gz PDYYKCLHVQPLHF-TZMCWYRMSA-N 1 0 309.341 1.395 20 5 DDBDRO C[C@@H](NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)C1=CC[N@H+](C)CC1 ZINC001154042474 864352582 /nfs/dbraw/zinc/35/25/82/864352582.db2.gz ISWWEGZOYGYSBU-SECBINFHSA-N 1 0 306.322 1.076 20 5 DDBDRO CCOC(=O)c1ccnc(-n2ccc([C@@H](C)[NH3+])n2)c1[N+](=O)[O-] ZINC001158354864 864598781 /nfs/dbraw/zinc/59/87/81/864598781.db2.gz DGVJEAHCACKHKH-MRVPVSSYSA-N 1 0 305.294 1.372 20 5 DDBDRO CCOc1ccc(C(=O)N(CC)[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC001331004679 864771359 /nfs/dbraw/zinc/77/13/59/864771359.db2.gz VHQJMCGMZVVTCM-GFCCVEGCSA-N 1 0 307.350 1.818 20 5 DDBDRO O=[N+]([O-])c1ccccc1-c1ccc(NC[C@H]2COCC[NH2+]2)nn1 ZINC001159046446 865073355 /nfs/dbraw/zinc/07/33/55/865073355.db2.gz JJTGUWPUARTBIP-NSHDSACASA-N 1 0 315.333 1.452 20 5 DDBDRO O=C(NC[C@H]1CCCC[NH2+]1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001331458126 865097656 /nfs/dbraw/zinc/09/76/56/865097656.db2.gz ZSTOKOOSRKFSLI-CYBMUJFWSA-N 1 0 304.350 1.762 20 5 DDBDRO C[C@@H](Nc1cc(/C=C/N(C)C)c([N+](=O)[O-])cn1)[C@@H]1C[NH2+]CCO1 ZINC001159499418 865353735 /nfs/dbraw/zinc/35/37/35/865353735.db2.gz PXUDDCGYDIRBIR-OZAOCKQISA-N 1 0 321.381 1.311 20 5 DDBDRO CC(C)Oc1nc(N[C@@H](C)[C@H]2C[NH2+]CCO2)ccc1[N+](=O)[O-] ZINC001159503181 865365705 /nfs/dbraw/zinc/36/57/05/865365705.db2.gz UOATVXOTJJDRHW-CMPLNLGQSA-N 1 0 310.354 1.566 20 5 DDBDRO O=[N+]([O-])c1c(Cl)c2ccccc2nc1N[C@@H]1C[NH2+]C[C@@H]1CO ZINC001159674702 865463361 /nfs/dbraw/zinc/46/33/61/865463361.db2.gz ALVKCVPKGHMUQV-LDYMZIIASA-N 1 0 322.752 1.789 20 5 DDBDRO Nc1cc(N[C@H]2CC[NH2+]C[C@H]2C(F)(F)F)ncc1[N+](=O)[O-] ZINC001160738845 866088569 /nfs/dbraw/zinc/08/85/69/866088569.db2.gz KVOWUJQMTTZNLZ-SVRRBLITSA-N 1 0 305.260 1.524 20 5 DDBDRO COCCC1(CNc2nc(C)ncc2[N+](=O)[O-])CC[NH2+]CC1 ZINC001161503524 866722330 /nfs/dbraw/zinc/72/23/30/866722330.db2.gz MIGZTVFTWDDPBP-UHFFFAOYSA-N 1 0 309.370 1.511 20 5 DDBDRO COc1cc([N+](=O)[O-])cnc1N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC001333710525 866954644 /nfs/dbraw/zinc/95/46/44/866954644.db2.gz LHTNYPBFYRVNIE-YPMHNXCESA-N 1 0 306.366 1.919 20 5 DDBDRO C[NH+](C)[C@@H]1CC[C@H]2CN(c3cc[nH]c(=O)c3[N+](=O)[O-])C[C@H]2C1 ZINC001333874921 867101071 /nfs/dbraw/zinc/10/10/71/867101071.db2.gz DCHXNAOIEJINDD-QJPTWQEYSA-N 1 0 306.366 1.862 20 5 DDBDRO COCCC1([NH3+])CCN(c2nc(C)cc(OC)c2[N+](=O)[O-])CC1 ZINC001162041670 867211506 /nfs/dbraw/zinc/21/15/06/867211506.db2.gz OSLBPRZQCQDCSJ-UHFFFAOYSA-N 1 0 324.381 1.641 20 5 DDBDRO COCCC1([NH3+])CCN(c2cc([N+](=O)[O-])c3cc[nH]c3n2)CC1 ZINC001162041890 867211940 /nfs/dbraw/zinc/21/19/40/867211940.db2.gz RRFSGOFZUXUCPA-UHFFFAOYSA-N 1 0 319.365 1.805 20 5 DDBDRO CCOc1cc(N[C@@H](C)CN2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC001162098026 867251667 /nfs/dbraw/zinc/25/16/67/867251667.db2.gz AMBLJDODXHOWIG-LBPRGKRZSA-N 1 0 308.382 1.699 20 5 DDBDRO [NH3+]Cc1cn(-c2nc3cc([N+](=O)[O-])ccc3nc2Cl)cn1 ZINC001162297198 867420896 /nfs/dbraw/zinc/42/08/96/867420896.db2.gz WLVDFLYSBCBWMQ-UHFFFAOYSA-N 1 0 304.697 1.836 20 5 DDBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N[C@@]2(C)CCC[N@@H+](C)C2)n1 ZINC001162339565 867472009 /nfs/dbraw/zinc/47/20/09/867472009.db2.gz LYYOFRQKBGDFTQ-AWEZNQCLSA-N 1 0 322.369 1.548 20 5 DDBDRO COC(=O)c1ncc([N+](=O)[O-])c(C)c1N[C@@H]1CCC[C@H]([NH3+])C1 ZINC001162397620 867513030 /nfs/dbraw/zinc/51/30/30/867513030.db2.gz WZFABLRWSCXIQI-VHSXEESVSA-N 1 0 308.338 1.767 20 5 DDBDRO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CC[C@](O)(C3CC3)C1)OCCO2 ZINC001321356383 867524124 /nfs/dbraw/zinc/52/41/24/867524124.db2.gz FGHNWRITLOPFIH-MRXNPFEDSA-N 1 0 320.345 1.713 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])cc(NC[C@H]2CCC[NH2+]C[C@@H]2C)n1 ZINC001162452498 867543922 /nfs/dbraw/zinc/54/39/22/867543922.db2.gz FOYUQHMDJYDMHP-WDEREUQCSA-N 1 0 322.365 1.824 20 5 DDBDRO C[C@H]1[NH2+]CC[C@H]1Nc1cc([N+](=O)[O-])cc(Br)n1 ZINC001162677512 867718145 /nfs/dbraw/zinc/71/81/45/867718145.db2.gz LYUPMJWFYWQYCI-HTRCEHHLSA-N 1 0 301.144 1.915 20 5 DDBDRO O=[N+]([O-])c1ncccc1NC[C@@H]1CCC2(CC[NH2+]CC2)CO1 ZINC001162964994 867953551 /nfs/dbraw/zinc/95/35/51/867953551.db2.gz DXCSCRGFDGEXAJ-LBPRGKRZSA-N 1 0 306.366 1.951 20 5 DDBDRO O=[N+]([O-])c1cc(Cl)ncc1NCc1nnc2n1CCC[NH2+]C2 ZINC001163016381 868003183 /nfs/dbraw/zinc/00/31/83/868003183.db2.gz CCJCGDHLJVUTNE-UHFFFAOYSA-N 1 0 323.744 1.340 20 5 DDBDRO CCOc1cc(NC[C@]23C[NH2+]C[C@H]2COC3)ccc1[N+](=O)[O-] ZINC001163158353 868171395 /nfs/dbraw/zinc/17/13/95/868171395.db2.gz KDDNAUNOBXXJOI-NHYWBVRUSA-N 1 0 307.350 1.641 20 5 DDBDRO O=[N+]([O-])c1cnc2cccc(NC[C@H]3OC[C@H]4C[NH2+]CC[C@H]43)n21 ZINC001163178340 868193228 /nfs/dbraw/zinc/19/32/28/868193228.db2.gz XOIYMMGCHBFHEV-IJLUTSLNSA-N 1 0 317.349 1.279 20 5 DDBDRO O=C(NCC[NH2+]C1CC1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001325680599 868248214 /nfs/dbraw/zinc/24/82/14/868248214.db2.gz LRXMPPGMMCTFLB-UHFFFAOYSA-N 1 0 304.350 1.415 20 5 DDBDRO C[C@H]1CC[N@H+](CCNC(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC001335420940 868286340 /nfs/dbraw/zinc/28/63/40/868286340.db2.gz KFACAIAOJWPRQN-ZDUSSCGKSA-N 1 0 320.393 1.778 20 5 DDBDRO COc1ncnc(NC[C@@H]2Cc3ccccc3C[NH2+]2)c1[N+](=O)[O-] ZINC001163272729 868293603 /nfs/dbraw/zinc/29/36/03/868293603.db2.gz RHWRQGPRUIIHTK-LBPRGKRZSA-N 1 0 315.333 1.520 20 5 DDBDRO COc1ccc([N+](=O)[O-])nc1N[C@H]1CCO[C@]2(CC[NH2+]C2)C1 ZINC001163325717 868356000 /nfs/dbraw/zinc/35/60/00/868356000.db2.gz XPNGUBYDVSFCAQ-IINYFYTJSA-N 1 0 308.338 1.321 20 5 DDBDRO CN(C)c1ccc(N[C@@H]2CCO[C@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC001163327493 868358313 /nfs/dbraw/zinc/35/83/13/868358313.db2.gz JZDNSUSESSVUFL-MLGOLLRUSA-N 1 0 320.393 1.984 20 5 DDBDRO CN1Cc2cc(N[C@H]3C[NH+]4CCC3CC4)cc([N+](=O)[O-])c2N1 ZINC001163394225 868414213 /nfs/dbraw/zinc/41/42/13/868414213.db2.gz CQTUKFCPMSQEHH-ZDUSSCGKSA-N 1 0 303.366 1.873 20 5 DDBDRO CCN(Cc1ccncc1)c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001163612751 868566555 /nfs/dbraw/zinc/56/65/55/868566555.db2.gz RAILFTYURZAJGW-UHFFFAOYSA-N 1 0 314.349 1.493 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H]1COC[C@@H]1C1CC1 ZINC001336067222 868711467 /nfs/dbraw/zinc/71/14/67/868711467.db2.gz SAZWLKJOXMEKBU-MCIONIFRSA-N 1 0 322.361 1.349 20 5 DDBDRO O=C(CC[N@H+]1C2CCC1(CO)CC2)Nc1ccc([N+](=O)[O-])cc1 ZINC001336287333 868842784 /nfs/dbraw/zinc/84/27/84/868842784.db2.gz MHOCLGFGASOSGQ-UHFFFAOYSA-N 1 0 319.361 1.913 20 5 DDBDRO COC(=O)c1cnc(N2C[C@@H](C)CC[C@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC001164070075 868923877 /nfs/dbraw/zinc/92/38/77/868923877.db2.gz MZXHHPPQQPOKQP-ONGXEEELSA-N 1 0 308.338 1.340 20 5 DDBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1ccc([N+](=O)[O-])cc1C(N)=O)C2 ZINC001226165629 882242247 /nfs/dbraw/zinc/24/22/47/882242247.db2.gz MLHFNFXEIRIIJO-PEGIJTEDSA-N 1 0 305.334 1.698 20 5 DDBDRO CN(c1cc(Cl)ccc1/C=C/[N+](=O)[O-])S(=O)(=O)CC[NH3+] ZINC001164296984 869099280 /nfs/dbraw/zinc/09/92/80/869099280.db2.gz FRIFVANPRIYHIX-GQCTYLIASA-N 1 0 319.770 1.312 20 5 DDBDRO O=[N+]([O-])c1ccccc1NCC[NH2+]C[C@@H](O)CC(F)(F)F ZINC001336728002 869111885 /nfs/dbraw/zinc/11/18/85/869111885.db2.gz RLGXSAAFAKUTPF-VIFPVBQESA-N 1 0 307.272 1.910 20 5 DDBDRO COC(=O)c1cnc(N2CCC3(CC([NH3+])C3)CC2)c([N+](=O)[O-])c1 ZINC001165243891 869460462 /nfs/dbraw/zinc/46/04/62/869460462.db2.gz UIYVZDCEDYSZHX-UHFFFAOYSA-N 1 0 320.349 1.484 20 5 DDBDRO O=C(CCc1cc(F)ccc1[N+](=O)[O-])N[C@@H]1C[NH+]2CCC1CC2 ZINC001337408884 869474590 /nfs/dbraw/zinc/47/45/90/869474590.db2.gz IZAXLTZMIGUIHK-CQSZACIVSA-N 1 0 321.352 1.877 20 5 DDBDRO COc1ncnc(N2CCCC[C@H]2C2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001165323065 869516937 /nfs/dbraw/zinc/51/69/37/869516937.db2.gz IHUKQLBXQLPLKA-LBPRGKRZSA-N 1 0 321.381 1.752 20 5 DDBDRO COCc1nn(-c2nc(C)cc(OC)c2[N+](=O)[O-])c2c1C[NH2+]C2 ZINC001165633503 869661643 /nfs/dbraw/zinc/66/16/43/869661643.db2.gz STELSUHOYIQVNO-UHFFFAOYSA-N 1 0 319.321 1.242 20 5 DDBDRO C[C@H](NC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC001338425333 869974718 /nfs/dbraw/zinc/97/47/18/869974718.db2.gz YNDVFFLRRVJVMM-DETPVDSQSA-N 1 0 318.377 1.907 20 5 DDBDRO CS(=O)(=O)N(c1cccc(C[NH3+])c1)c1ncccc1[N+](=O)[O-] ZINC001166462555 870010331 /nfs/dbraw/zinc/01/03/31/870010331.db2.gz COFFJZXJRPUJMZ-UHFFFAOYSA-N 1 0 322.346 1.546 20 5 DDBDRO O=C(N[C@@H]1C[NH+]2CCC1CC2)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC001339140257 870364624 /nfs/dbraw/zinc/36/46/24/870364624.db2.gz HWASDFUWAQFSJD-OAHLLOKOSA-N 1 0 314.345 1.900 20 5 DDBDRO COC(=O)C1(Nc2cc(F)cc(F)c2[N+](=O)[O-])CC[NH2+]CC1 ZINC001166954318 870415376 /nfs/dbraw/zinc/41/53/76/870415376.db2.gz IQWVIRVIYPMEHP-UHFFFAOYSA-N 1 0 315.276 1.580 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@@H]2CCCC[N@@H+](C)C2)n1 ZINC001300873793 870965258 /nfs/dbraw/zinc/96/52/58/870965258.db2.gz NCZBGSBASOPRTO-LBPRGKRZSA-N 1 0 306.366 1.760 20 5 DDBDRO COCC[NH2+]CCNC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001340260494 870994882 /nfs/dbraw/zinc/99/48/82/870994882.db2.gz AJTKJZSINILHLO-KBPBESRZSA-N 1 0 307.350 1.051 20 5 DDBDRO O=C(N[C@@H]1CC12CC[NH2+]CC2)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001340298953 871018496 /nfs/dbraw/zinc/01/84/96/871018496.db2.gz JGWBLNOEUSPESK-RRFJBIMHSA-N 1 0 315.373 1.957 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCC[N@@H+]1C ZINC001340856772 871389513 /nfs/dbraw/zinc/38/95/13/871389513.db2.gz JXJSOYXBNJLVIS-ZDUSSCGKSA-N 1 0 320.393 1.875 20 5 DDBDRO C[C@H]1CN(c2cc[nH+]cc2)CCN1c1ncc([N+](=O)[O-])c(N)n1 ZINC001307213591 871411448 /nfs/dbraw/zinc/41/14/48/871411448.db2.gz JGGDPCYIBKBFDQ-JTQLQIEISA-N 1 0 315.337 1.077 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)[NH2+]Cc2ccns2)cc1 ZINC001308511788 871507273 /nfs/dbraw/zinc/50/72/73/871507273.db2.gz DOIHFLFZIXGMQS-CHWSQXEVSA-N 1 0 309.347 1.235 20 5 DDBDRO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)NCc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC001341343880 871615904 /nfs/dbraw/zinc/61/59/04/871615904.db2.gz JFYXXXOYBVLAAJ-AEGPPILISA-N 1 0 318.377 1.734 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001341374420 871626949 /nfs/dbraw/zinc/62/69/49/871626949.db2.gz ZVFZZOZLLPUAQI-CYZMBNFOSA-N 1 0 305.334 1.360 20 5 DDBDRO CCCn1cc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)nn1 ZINC001205667141 871684280 /nfs/dbraw/zinc/68/42/80/871684280.db2.gz IEPFKJJEFBUSRN-UHFFFAOYSA-N 1 0 304.354 1.562 20 5 DDBDRO C[NH+](C)[C@@H]1CCCC[C@H]1Nc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC001318371608 871966619 /nfs/dbraw/zinc/96/66/19/871966619.db2.gz PPQNVFBSLSVCPW-DGCLKSJQSA-N 1 0 306.366 1.978 20 5 DDBDRO O=C(CCc1cc(F)ccc1[N+](=O)[O-])NCC[NH+]1CC=CC1 ZINC001342232660 872093805 /nfs/dbraw/zinc/09/38/05/872093805.db2.gz KGHAFSMKTXCYBN-UHFFFAOYSA-N 1 0 307.325 1.655 20 5 DDBDRO C[C@@H]1CC[N@H+](CCNC(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC001318815850 872286311 /nfs/dbraw/zinc/28/63/11/872286311.db2.gz UEHBQLRXBUXWOK-CYBMUJFWSA-N 1 0 321.377 1.822 20 5 DDBDRO O=C(NCC[NH+]1CC=CC1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC001319036571 872408584 /nfs/dbraw/zinc/40/85/84/872408584.db2.gz ROJRTRFEQJBWIS-UHFFFAOYSA-N 1 0 300.318 1.678 20 5 DDBDRO COC[C@H]1C[NH2+]CCN1C(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC001343054071 872483310 /nfs/dbraw/zinc/48/33/10/872483310.db2.gz KZSGWBRANYVYIE-CYBMUJFWSA-N 1 0 321.377 1.779 20 5 DDBDRO [NH3+][C@@H]1CCCC[C@@H]1C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC001346017129 873592435 /nfs/dbraw/zinc/59/24/35/873592435.db2.gz JYSRIXMCLVCOKG-UONOGXRCSA-N 1 0 306.366 1.640 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCCC[C@]12CCC[NH2+]C2 ZINC001346505711 873781453 /nfs/dbraw/zinc/78/14/53/873781453.db2.gz RKJIYFWAWDCUDR-OAHLLOKOSA-N 1 0 306.366 1.682 20 5 DDBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1Nc1ccc2ncc([N+](=O)[O-])n2n1 ZINC001348031230 874340280 /nfs/dbraw/zinc/34/02/80/874340280.db2.gz IQROKTLJSHSKOU-ONGXEEELSA-N 1 0 302.338 1.532 20 5 DDBDRO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CNc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC001348747745 874758259 /nfs/dbraw/zinc/75/82/59/874758259.db2.gz PBKDVQJZQYUTPO-RWMBFGLXSA-N 1 0 318.377 1.463 20 5 DDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC001348969842 874902536 /nfs/dbraw/zinc/90/25/36/874902536.db2.gz JICKUAJEBJEVGG-NHYWBVRUSA-N 1 0 318.377 1.803 20 5 DDBDRO CCOC(=O)c1ccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)cc1 ZINC001227441976 883023485 /nfs/dbraw/zinc/02/34/85/883023485.db2.gz JIWOOSKRFMAHFN-CYBMUJFWSA-N 1 0 310.370 1.226 20 5 DDBDRO Cc1ccc(C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)cc1[N+](=O)[O-] ZINC001353173596 877161859 /nfs/dbraw/zinc/16/18/59/877161859.db2.gz FKFJLGHRSAIVNX-NSHDSACASA-N 1 0 313.304 1.878 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCCOC[C@@H]2CCOC2)c1 ZINC001353317188 877250518 /nfs/dbraw/zinc/25/05/18/877250518.db2.gz TXMDRUKTWNMBBT-XJKSGUPXSA-N 1 0 324.377 1.661 20 5 DDBDRO Cc1nc(O[C@H]2CC[NH2+]C2)c(Br)cc1[N+](=O)[O-] ZINC001218182798 877414401 /nfs/dbraw/zinc/41/44/01/877414401.db2.gz ICQCFBYESMDBGS-ZETCQYMHSA-N 1 0 302.128 1.801 20 5 DDBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[NH2+]CC12CC2 ZINC001356482748 879072045 /nfs/dbraw/zinc/07/20/45/879072045.db2.gz DUMSYXOMEOYVCS-GFCCVEGCSA-N 1 0 307.375 1.799 20 5 DDBDRO CCC(=O)c1ccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)c(OC)c1 ZINC001228875402 883708157 /nfs/dbraw/zinc/70/81/57/883708157.db2.gz NOMLYEHXIOMFFG-CYBMUJFWSA-N 1 0 324.397 1.651 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc2c(c1)C(=O)CCO2 ZINC001229117150 883830144 /nfs/dbraw/zinc/83/01/44/883830144.db2.gz LGQYNEAFWNABIQ-LLVKDONJSA-N 1 0 308.354 1.014 20 5 DDBDRO Cc1cc(OC(=O)C[C@@H](O)C[N+](C)(C)C)cc([N+](=O)[O-])c1C ZINC001230471560 884505960 /nfs/dbraw/zinc/50/59/60/884505960.db2.gz KNQVXEOFULSDNK-GFCCVEGCSA-N 1 0 311.358 1.574 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc(-c2ncc[nH]2)cc1 ZINC001231080303 885195548 /nfs/dbraw/zinc/19/55/48/885195548.db2.gz BGOQCUMSBDEMNF-CYBMUJFWSA-N 1 0 304.370 1.439 20 5 DDBDRO CN(C)c1ccc(N=O)c(OC(=O)C[C@@H](O)C[N+](C)(C)C)c1 ZINC001231286670 885470295 /nfs/dbraw/zinc/47/02/95/885470295.db2.gz GXUGAKZVCJIVHE-GFCCVEGCSA-N 1 0 310.374 1.513 20 5 DDBDRO COc1cc(CC[N+](=O)[O-])ccc1O[C@H]1C[NH+]2CCC1CC2 ZINC001233988338 887528537 /nfs/dbraw/zinc/52/85/37/887528537.db2.gz WCNQACMYFANGLO-INIZCTEOSA-N 1 0 306.362 1.987 20 5 DDBDRO CSc1ccc(F)c(OC(=O)C[C@@H](O)C[N+](C)(C)C)c1 ZINC001234242543 887783301 /nfs/dbraw/zinc/78/33/01/887783301.db2.gz BVFKJAZPTNAMIH-SNVBAGLBSA-N 1 0 302.391 1.910 20 5 DDBDRO C[C@@H](C[N+](C)(C)C)Oc1cc(N2CCOCC2)ccc1[N+](=O)[O-] ZINC001234364147 887907416 /nfs/dbraw/zinc/90/74/16/887907416.db2.gz PRRDUUAKZHPADJ-ZDUSSCGKSA-N 1 0 324.401 1.905 20 5 DDBDRO COc1ccc(C[C@@H](C)N2CC[C@@H]3[NH2+]CC[C@H]32)c([N+](=O)[O-])c1 ZINC001246633581 892756135 /nfs/dbraw/zinc/75/61/35/892756135.db2.gz LITTZHVDVQHUPI-BYCMXARLSA-N 1 0 305.378 1.971 20 5 DDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1C[C@H](S(C)(=O)=O)C1 ZINC001254538077 896494626 /nfs/dbraw/zinc/49/46/26/896494626.db2.gz OLCLUILOAAKXLT-DRZSPHRISA-N 1 0 312.391 1.691 20 5 DDBDRO COCCOCCOCC[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254584766 896516519 /nfs/dbraw/zinc/51/65/19/896516519.db2.gz UAZCUGFLDDXEAF-OAHLLOKOSA-N 1 0 324.377 1.331 20 5 DDBDRO CN1CCO[C@H]2C[N@@H+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C[C@H]21 ZINC001254593922 896520344 /nfs/dbraw/zinc/52/03/44/896520344.db2.gz BULMUPHZKPLLIM-XHSDSOJGSA-N 1 0 303.362 1.077 20 5 DDBDRO C[NH+](C)C[C@@H]1CN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCO1 ZINC001254593180 896522011 /nfs/dbraw/zinc/52/20/11/896522011.db2.gz JOYLAIHKOCGSSM-HZPDHXFCSA-N 1 0 305.378 1.324 20 5 DDBDRO O=C1NCC2(CC[NH+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)CC2)N1 ZINC001254609583 896531359 /nfs/dbraw/zinc/53/13/59/896531359.db2.gz XWNGVECXHVAKDS-CQSZACIVSA-N 1 0 316.361 1.209 20 5 DDBDRO COc1cc(N2CCC([NH+]3CC(C)(O)C3)CC2)ccc1[N+](=O)[O-] ZINC001256093311 897281514 /nfs/dbraw/zinc/28/15/14/897281514.db2.gz JSFDFLJUVMLJBV-UHFFFAOYSA-N 1 0 321.377 1.639 20 5 DDBDRO CC[N@@H+]1CC[C@H]1CNC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001262033212 899904066 /nfs/dbraw/zinc/90/40/66/899904066.db2.gz SLPDYLGTSXGEPB-AWEZNQCLSA-N 1 0 304.350 1.714 20 5 DDBDRO CC(C)=CC(=O)N(CCO)CC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001279648286 903373120 /nfs/dbraw/zinc/37/31/20/903373120.db2.gz YRTPNFWUJADVJA-UHFFFAOYSA-N 1 0 321.377 1.472 20 5 DDBDRO C[C@H](C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])N1CCOCC1 ZINC000449068597 230576791 /nfs/dbraw/zinc/57/67/91/230576791.db2.gz CAOCEBBSASZRQM-UONOGXRCSA-N 1 0 307.394 1.836 20 5 DDBDRO Nc1c(C(=O)NCC2CC[NH+](C3CC3)CC2)cccc1[N+](=O)[O-] ZINC000278427651 214144060 /nfs/dbraw/zinc/14/40/60/214144060.db2.gz CFSZEPGYVRELTO-UHFFFAOYSA-N 1 0 318.377 1.781 20 5 DDBDRO C[C@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000305768955 231046622 /nfs/dbraw/zinc/04/66/22/231046622.db2.gz VJXIKCWAOIZXTL-SMDDNHRTSA-N 1 0 307.350 1.626 20 5 DDBDRO C[C@@]12C[N@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000451378525 231081341 /nfs/dbraw/zinc/08/13/41/231081341.db2.gz YCSRAVJDXLUOAI-IVCRCZCHSA-N 1 0 318.377 1.296 20 5 DDBDRO O=[N+]([O-])c1ccccc1OCC[N@H+]1CC[C@](O)(C(F)F)C1 ZINC000451432901 231093097 /nfs/dbraw/zinc/09/30/97/231093097.db2.gz OPRWQZOGZCNAHA-CYBMUJFWSA-N 1 0 302.277 1.676 20 5 DDBDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000181163071 282190767 /nfs/dbraw/zinc/19/07/67/282190767.db2.gz NHYMCDWLAQBFAY-GHMZBOCLSA-N 1 0 306.366 1.780 20 5 DDBDRO COc1ccccc1C[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090512176 185299637 /nfs/dbraw/zinc/29/96/37/185299637.db2.gz MQSMDVRJERHWGH-UHFFFAOYSA-N 1 0 317.345 1.897 20 5 DDBDRO CN(C(=O)C[NH2+][C@@H]1CCC[C@H]1CCO)c1ccc([N+](=O)[O-])cc1 ZINC000279289299 214765553 /nfs/dbraw/zinc/76/55/53/214765553.db2.gz PGDBHBQBAJDXNR-SWLSCSKDSA-N 1 0 321.377 1.698 20 5 DDBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090550847 185302256 /nfs/dbraw/zinc/30/22/56/185302256.db2.gz ZULAFDQXPPPVQS-AWEZNQCLSA-N 1 0 322.409 1.563 20 5 DDBDRO O=[N+]([O-])c1cc(F)c(CN2CCC[C@H](OCCO)C2)c(F)c1 ZINC000286614725 219083868 /nfs/dbraw/zinc/08/38/68/219083868.db2.gz YMXCGTYVYQPPCX-NSHDSACASA-N 1 0 316.304 1.846 20 5 DDBDRO Cn1cc(C[N@@H+]2CC[C@H](CO)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000092763118 185338473 /nfs/dbraw/zinc/33/84/73/185338473.db2.gz URAFSQWVMZKADY-LBPRGKRZSA-N 1 0 316.361 1.810 20 5 DDBDRO CC(C)(C)[C@H](CCO)[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000181457051 199299808 /nfs/dbraw/zinc/29/98/08/199299808.db2.gz ONRRAPUALLODMY-ZDUSSCGKSA-N 1 0 309.366 1.580 20 5 DDBDRO CC(C)(C)[C@@H](CCO)[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000181457030 199300255 /nfs/dbraw/zinc/30/02/55/199300255.db2.gz ONRRAPUALLODMY-CYBMUJFWSA-N 1 0 309.366 1.580 20 5 DDBDRO CC[C@H]([NH2+]CCCN1C(=O)CNC1=O)c1cccc([N+](=O)[O-])c1 ZINC000181547470 199314784 /nfs/dbraw/zinc/31/47/84/199314784.db2.gz JOZYEQJNYLJPPE-ZDUSSCGKSA-N 1 0 320.349 1.577 20 5 DDBDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)COc3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000425047900 529821860 /nfs/dbraw/zinc/82/18/60/529821860.db2.gz AHUHGPNRBPEALX-SWLSCSKDSA-N 1 0 319.361 1.526 20 5 DDBDRO O=[N+]([O-])c1ccc(C[NH2+]CCC2CS(=O)(=O)C2)c(F)c1 ZINC000615728187 362418000 /nfs/dbraw/zinc/41/80/00/362418000.db2.gz PHCLMOWVFAXLQY-UHFFFAOYSA-N 1 0 302.327 1.258 20 5 DDBDRO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1(CO)CCOCC1 ZINC000444701071 530022787 /nfs/dbraw/zinc/02/27/87/530022787.db2.gz HAGBSYKPKBDTTB-UHFFFAOYSA-N 1 0 320.349 1.444 20 5 DDBDRO C[N@@H+]1CCC[C@H]1CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000299295495 530063495 /nfs/dbraw/zinc/06/34/95/530063495.db2.gz CREWJXFWCYRLIL-AWEZNQCLSA-N 1 0 316.361 1.760 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000119218486 185709267 /nfs/dbraw/zinc/70/92/67/185709267.db2.gz SHJWTOBXZVXIQS-UHFFFAOYSA-N 1 0 317.349 1.685 20 5 DDBDRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000601226080 358455294 /nfs/dbraw/zinc/45/52/94/358455294.db2.gz QAYWITMWSUUMMM-HNNXBMFYSA-N 1 0 322.365 1.515 20 5 DDBDRO CCc1n[nH]c(C(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)c1[N+](=O)[O-] ZINC000287100140 219311864 /nfs/dbraw/zinc/31/18/64/219311864.db2.gz LIENOEOBFRFOQW-JQWIXIFHSA-N 1 0 321.381 1.579 20 5 DDBDRO C[C@@H](C[NH+](C)C)NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000287182617 219365082 /nfs/dbraw/zinc/36/50/82/219365082.db2.gz LQOWJTWRYWVIEY-JTQLQIEISA-N 1 0 304.350 1.685 20 5 DDBDRO COC[C@@H](C[NH2+]Cc1cc(OC)c(OC)cc1[N+](=O)[O-])OC ZINC000358486252 299169476 /nfs/dbraw/zinc/16/94/76/299169476.db2.gz PZOSKKONOIQZPK-LLVKDONJSA-N 1 0 314.338 1.363 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)n1 ZINC000191854519 186264764 /nfs/dbraw/zinc/26/47/64/186264764.db2.gz VMXLUOKTKZIKBP-RYUDHWBXSA-N 1 0 321.381 1.368 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H](C)CC[NH+](C)C ZINC000265986221 186349009 /nfs/dbraw/zinc/34/90/09/186349009.db2.gz HJIOODRXCAGHPJ-NSHDSACASA-N 1 0 315.395 1.522 20 5 DDBDRO Cc1nn(CCC(=O)N2CC[C@@H](C[NH+](C)C)C2)c(C)c1[N+](=O)[O-] ZINC000172171518 198051492 /nfs/dbraw/zinc/05/14/92/198051492.db2.gz IYVLMDTWXMSHNM-ZDUSSCGKSA-N 1 0 323.397 1.208 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H]([NH2+]C(C)C)C2)n1 ZINC000617422564 363098327 /nfs/dbraw/zinc/09/83/27/363098327.db2.gz SVOQIUMIDWSDMF-NSHDSACASA-N 1 0 309.370 1.414 20 5 DDBDRO C[NH+](C)[C@@H](CNC(=O)Cn1cc([N+](=O)[O-])cn1)c1ccsc1 ZINC000025816277 352202011 /nfs/dbraw/zinc/20/20/11/352202011.db2.gz PPGLGEFWOLNKIW-LBPRGKRZSA-N 1 0 323.378 1.272 20 5 DDBDRO CC[NH+]1CCN([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000043304256 352365072 /nfs/dbraw/zinc/36/50/72/352365072.db2.gz JCJSYVHRFNBIIZ-GFCCVEGCSA-N 1 0 306.366 1.559 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000123795927 282825305 /nfs/dbraw/zinc/82/53/05/282825305.db2.gz RFZNTJAYCYNULI-GFCCVEGCSA-N 1 0 321.381 1.419 20 5 DDBDRO COc1ccc(C(=O)NCC[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000047139914 352482866 /nfs/dbraw/zinc/48/28/66/352482866.db2.gz DZGGUWVFVLTZMV-UHFFFAOYSA-N 1 0 307.350 1.819 20 5 DDBDRO O=C(/C=C\c1cccc([N+](=O)[O-])c1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000491236702 234111738 /nfs/dbraw/zinc/11/17/38/234111738.db2.gz LFLATDWQKVCQAT-LLPBQKLSSA-N 1 0 301.346 1.961 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC(C[NH+]3CCOCC3)CC2)nc1 ZINC000052325984 352608084 /nfs/dbraw/zinc/60/80/84/352608084.db2.gz NVQOVGJZXXNYPG-UHFFFAOYSA-N 1 0 306.366 1.538 20 5 DDBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000057553761 352820530 /nfs/dbraw/zinc/82/05/30/352820530.db2.gz AUURCQFOPPDLOT-LBPRGKRZSA-N 1 0 318.377 1.750 20 5 DDBDRO COCC[N@H+](C)CCCNC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000067724508 353064981 /nfs/dbraw/zinc/06/49/81/353064981.db2.gz YXFVCFUBMZTSRV-UHFFFAOYSA-N 1 0 324.381 1.362 20 5 DDBDRO C[NH+](C)[C@H]1CCCN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000277139575 213320170 /nfs/dbraw/zinc/32/01/70/213320170.db2.gz HIRJDLOSZUUOJJ-NSHDSACASA-N 1 0 306.366 1.733 20 5 DDBDRO O=C(Cn1ccc([N+](=O)[O-])n1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000068132787 353091326 /nfs/dbraw/zinc/09/13/26/353091326.db2.gz RDYOAALCHSTVFC-CYBMUJFWSA-N 1 0 321.381 1.268 20 5 DDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[N@@H+](C)CC ZINC000068960811 353138805 /nfs/dbraw/zinc/13/88/05/353138805.db2.gz ITXXTWMNPGGOMY-UHFFFAOYSA-N 1 0 315.395 1.387 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000277110814 213299099 /nfs/dbraw/zinc/29/90/99/213299099.db2.gz DHDRICYUCSNJIK-ZDUSSCGKSA-N 1 0 323.397 1.433 20 5 DDBDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1csc([N+](=O)[O-])c1 ZINC000076002451 353390024 /nfs/dbraw/zinc/39/00/24/353390024.db2.gz WMEJLPXMBQAWOM-NSHDSACASA-N 1 0 313.379 1.497 20 5 DDBDRO C[C@H](c1ccccc1)[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174663749 198367348 /nfs/dbraw/zinc/36/73/48/198367348.db2.gz AWSBLIBGLYVMAC-DOMZBBRYSA-N 1 0 304.350 1.845 20 5 DDBDRO Cc1ncc(C[N@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)s1 ZINC000174738281 198378311 /nfs/dbraw/zinc/37/83/11/198378311.db2.gz OKLAZSYZRVYCJF-LLVKDONJSA-N 1 0 311.367 1.049 20 5 DDBDRO C[NH+](C)[C@@H](CNc1ncc([N+](=O)[O-])c(N)n1)c1ccsc1 ZINC000076651406 353430806 /nfs/dbraw/zinc/43/08/06/353430806.db2.gz ATNRXSMXGLOMHP-VIFPVBQESA-N 1 0 308.367 1.743 20 5 DDBDRO Cc1n[nH]c(C(=O)N(CC[NH+](C)C)Cc2ccco2)c1[N+](=O)[O-] ZINC000088348546 353754172 /nfs/dbraw/zinc/75/41/72/353754172.db2.gz YTXDAZNQGNKKFT-UHFFFAOYSA-N 1 0 321.337 1.423 20 5 DDBDRO C[C@H]([NH2+]CCN1CCCS1(=O)=O)c1ccc([N+](=O)[O-])cc1 ZINC000089520075 353774539 /nfs/dbraw/zinc/77/45/39/353774539.db2.gz OFUGOOBCDQZDKI-NSHDSACASA-N 1 0 313.379 1.281 20 5 DDBDRO Cc1cc(NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)ccc1[N+](=O)[O-] ZINC000092642226 353865037 /nfs/dbraw/zinc/86/50/37/353865037.db2.gz LFLQMISBZFBRNX-ZDUSSCGKSA-N 1 0 320.393 1.903 20 5 DDBDRO C[C@@H]1CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1O ZINC000093332711 353895660 /nfs/dbraw/zinc/89/56/60/353895660.db2.gz JELPDOFQFIXSMW-ZLDLUXBVSA-N 1 0 310.350 1.037 20 5 DDBDRO CCSCC[C@H](C)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000160128593 354236679 /nfs/dbraw/zinc/23/66/79/354236679.db2.gz UAKOYUMNECOVND-CMPLNLGQSA-N 1 0 302.400 1.274 20 5 DDBDRO C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])nn2C)C[C@@H](C)C1 ZINC000346178542 283014301 /nfs/dbraw/zinc/01/43/01/283014301.db2.gz LLZLRWIMXJCWIV-SDDRHHMPSA-N 1 0 321.381 1.131 20 5 DDBDRO COc1cc(C(=O)N[C@@H](C[NH3+])C(F)(F)F)ccc1[N+](=O)[O-] ZINC000401760289 354667098 /nfs/dbraw/zinc/66/70/98/354667098.db2.gz URTZXFXMDHMRTN-VIFPVBQESA-N 1 0 307.228 1.223 20 5 DDBDRO Cc1cc(C(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)cc([N+](=O)[O-])c1 ZINC000588830348 354940294 /nfs/dbraw/zinc/94/02/94/354940294.db2.gz XXOSGUDASVGQJY-OAHLLOKOSA-N 1 0 318.377 1.023 20 5 DDBDRO CN(C)CC[N@H+](C)CCCN(C)c1sccc1[N+](=O)[O-] ZINC000588858285 354943421 /nfs/dbraw/zinc/94/34/21/354943421.db2.gz XKYLBTCLKBGEMH-UHFFFAOYSA-N 1 0 300.428 1.976 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C[C@@H](C)O)C(C)C)c1 ZINC000589499610 354997040 /nfs/dbraw/zinc/99/70/40/354997040.db2.gz XOWVQSIBVRXKSP-LLVKDONJSA-N 1 0 310.350 1.973 20 5 DDBDRO Cn1c(C(=O)N2CCC3(C2)CC[NH+](C)CC3)ccc1[N+](=O)[O-] ZINC000590375509 355078268 /nfs/dbraw/zinc/07/82/68/355078268.db2.gz DAYOGZJKHVDTNI-UHFFFAOYSA-N 1 0 306.366 1.491 20 5 DDBDRO CNC(=O)c1ccc(N2CC[C@H]([NH+](C)C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000590570411 355116391 /nfs/dbraw/zinc/11/63/91/355116391.db2.gz YSEPOVNBSFRPEP-PWSUYJOCSA-N 1 0 306.366 1.483 20 5 DDBDRO COc1cc(C(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000590442695 355096724 /nfs/dbraw/zinc/09/67/24/355096724.db2.gz ACHHCXYGGZBWPW-WCQYABFASA-N 1 0 305.334 1.380 20 5 DDBDRO CCCC[C@@H](C[NH3+])NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000236818524 202024787 /nfs/dbraw/zinc/02/47/87/202024787.db2.gz WJZJKLRFDSYPGJ-JTQLQIEISA-N 1 0 313.329 1.746 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC000590445087 355098888 /nfs/dbraw/zinc/09/88/88/355098888.db2.gz MZZOLIKOZFCJBD-WCQYABFASA-N 1 0 319.361 1.770 20 5 DDBDRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000590446510 355099708 /nfs/dbraw/zinc/09/97/08/355099708.db2.gz WBWYIZYCOOEZEF-FZMZJTMJSA-N 1 0 323.780 1.953 20 5 DDBDRO CCC([NH3+])(CC)CNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000591275484 355275312 /nfs/dbraw/zinc/27/53/12/355275312.db2.gz IKVOAZJOAMMHMF-UHFFFAOYSA-N 1 0 309.366 1.973 20 5 DDBDRO CC(C)C[C@@H](C[NH3+])NC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000591351687 355296513 /nfs/dbraw/zinc/29/65/13/355296513.db2.gz VYNHHDZABVQWLP-LBPRGKRZSA-N 1 0 324.381 1.646 20 5 DDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000591358641 355299885 /nfs/dbraw/zinc/29/98/85/355299885.db2.gz PUPYGYIFWRORTE-CYBMUJFWSA-N 1 0 306.366 1.878 20 5 DDBDRO C[C@@H]1CN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])[C@@H](C)C[NH2+]1 ZINC000591433895 355310639 /nfs/dbraw/zinc/31/06/39/355310639.db2.gz HNDNGGKRFUIHHW-SFYZADRCSA-N 1 0 319.408 1.246 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000591299355 355283463 /nfs/dbraw/zinc/28/34/63/355283463.db2.gz JAMHLJPUYNFOSH-GXFFZTMASA-N 1 0 320.349 1.819 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H]2CCOC3(CCCC3)C2)c1 ZINC000591756001 355378119 /nfs/dbraw/zinc/37/81/19/355378119.db2.gz IKKPGZURRNPYKQ-OCCSQVGLSA-N 1 0 324.381 1.234 20 5 DDBDRO CCn1cc(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)cn1 ZINC000591766642 355380906 /nfs/dbraw/zinc/38/09/06/355380906.db2.gz RBHCUWKKAOWFTF-AWEZNQCLSA-N 1 0 320.349 1.341 20 5 DDBDRO CO[C@@H]([C@@H](C)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000591770596 355381893 /nfs/dbraw/zinc/38/18/93/355381893.db2.gz QFPJFPXKOHLTEX-WPGHFRTFSA-N 1 0 324.377 1.738 20 5 DDBDRO COc1cccc(C(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])c1[N+](=O)[O-] ZINC000591676317 355360021 /nfs/dbraw/zinc/36/00/21/355360021.db2.gz MBNIXPIXLQSJSE-JQWIXIFHSA-N 1 0 307.350 1.803 20 5 DDBDRO COc1cccc(C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)c1[N+](=O)[O-] ZINC000592244271 355545964 /nfs/dbraw/zinc/54/59/64/355545964.db2.gz GOAZRFDOKSUSEL-PWSUYJOCSA-N 1 0 305.334 1.427 20 5 DDBDRO COC(=O)c1cc(C(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000592296646 355553923 /nfs/dbraw/zinc/55/39/23/355553923.db2.gz FGNRGZSDXZIGAH-ZANVPECISA-N 1 0 321.333 1.191 20 5 DDBDRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)CCO1 ZINC000592307410 355556402 /nfs/dbraw/zinc/55/64/02/355556402.db2.gz HWTFZZLWOPYUCE-RISCZKNCSA-N 1 0 307.350 1.102 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@H](CCO)c2ccccc2F)n1 ZINC000592160287 355522004 /nfs/dbraw/zinc/52/20/04/355522004.db2.gz ITUZPFGPXNHYQR-CYBMUJFWSA-N 1 0 308.313 1.644 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@@H]2CC[C@@H](O)C2)c1 ZINC000592431308 355581742 /nfs/dbraw/zinc/58/17/42/355581742.db2.gz BBCLDBHNVLIECF-MRVWCRGKSA-N 1 0 310.350 1.085 20 5 DDBDRO [NH3+]C[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000592366848 355568733 /nfs/dbraw/zinc/56/87/33/355568733.db2.gz FFBXDKFHAOTTLZ-MRVPVSSYSA-N 1 0 305.381 1.016 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000592544680 355622358 /nfs/dbraw/zinc/62/23/58/355622358.db2.gz HADXXBMJBAOKHV-NWDGAFQWSA-N 1 0 319.361 1.818 20 5 DDBDRO CC[N@H+](C)C[C@H](O)CN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000565159466 304047732 /nfs/dbraw/zinc/04/77/32/304047732.db2.gz YVFNQMVCYPTKCR-INIZCTEOSA-N 1 0 307.394 1.872 20 5 DDBDRO CC[C@@H](C)[N@H+](CCO)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000593029221 355774377 /nfs/dbraw/zinc/77/43/77/355774377.db2.gz RPAJQNRKIOGVPE-LLVKDONJSA-N 1 0 310.350 1.974 20 5 DDBDRO C[NH+](C)CCn1ccc(C(=O)NCc2ccc([N+](=O)[O-])cc2)n1 ZINC000565178892 304048271 /nfs/dbraw/zinc/04/82/71/304048271.db2.gz CUFIYPGIBYFABO-UHFFFAOYSA-N 1 0 317.349 1.283 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1[C@H](C)C[N@H+](C)[C@@H](C)[C@H]1C ZINC000593188341 355820943 /nfs/dbraw/zinc/82/09/43/355820943.db2.gz DHWAWRGMLVUYSP-GRYCIOLGSA-N 1 0 323.397 1.429 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CCC([NH2+]CCO)CC1 ZINC000601328635 358499266 /nfs/dbraw/zinc/49/92/66/358499266.db2.gz UXVUTNHOJOVQAD-UHFFFAOYSA-N 1 0 323.393 1.540 20 5 DDBDRO O=C(Cc1ccc(F)cc1[N+](=O)[O-])N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000593455560 355890653 /nfs/dbraw/zinc/89/06/53/355890653.db2.gz WEWXEMXIJMKCMV-AWEZNQCLSA-N 1 0 321.352 1.877 20 5 DDBDRO CCO[C@@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1C[NH3+] ZINC000593737311 355982227 /nfs/dbraw/zinc/98/22/27/355982227.db2.gz VDFFFVVNUBHVHJ-IUODEOHRSA-N 1 0 309.366 1.269 20 5 DDBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[NH2+]CC1 ZINC000593903467 356049749 /nfs/dbraw/zinc/04/97/49/356049749.db2.gz BPDSKNMDKFOOEK-LBPRGKRZSA-N 1 0 307.350 1.480 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]1CCC[NH2+]CC1 ZINC000593903754 356050735 /nfs/dbraw/zinc/05/07/35/356050735.db2.gz MXQRGRBEOXMHRF-NSHDSACASA-N 1 0 307.350 1.609 20 5 DDBDRO CCO[C@@H]1CN(C(=O)c2cc(OC)ccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000593916933 356058600 /nfs/dbraw/zinc/05/86/00/356058600.db2.gz RTWTXPRKAYHCRR-QMTHXVAHSA-N 1 0 323.349 1.039 20 5 DDBDRO CCc1n[nH]c(C(=O)N2[C@@H]3CC[C@H]2CC[N@@H+](C)C3)c1[N+](=O)[O-] ZINC000594360318 356182904 /nfs/dbraw/zinc/18/29/04/356182904.db2.gz QUUMHVCVHMDJCX-VHSXEESVSA-N 1 0 307.354 1.189 20 5 DDBDRO [NH3+]C[C@H](NCc1cc2c(cc1[N+](=O)[O-])OCCO2)C(F)(F)F ZINC000594583462 356256219 /nfs/dbraw/zinc/25/62/19/356256219.db2.gz NMULVFFZCXSFLR-NSHDSACASA-N 1 0 321.255 1.345 20 5 DDBDRO COc1cc(CNCC2([NH3+])CCCC2)c([N+](=O)[O-])cc1OC ZINC000594738108 356302385 /nfs/dbraw/zinc/30/23/85/356302385.db2.gz HLYAJBQWYOAHAL-UHFFFAOYSA-N 1 0 309.366 1.973 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000347028643 283155496 /nfs/dbraw/zinc/15/54/96/283155496.db2.gz CIHJWLDUZBGESX-UHFFFAOYSA-N 1 0 323.397 1.713 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2ccc(F)c(F)c2F)c1 ZINC000594930449 356357940 /nfs/dbraw/zinc/35/79/40/356357940.db2.gz FYSUEUKXPBASSX-UHFFFAOYSA-N 1 0 300.240 1.998 20 5 DDBDRO Cc1ccc(C[NH2+][C@H]2CC[C@@H](C)S(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000594973481 356366473 /nfs/dbraw/zinc/36/64/73/356366473.db2.gz CTJWHLMQYBFMJW-YPMHNXCESA-N 1 0 312.391 1.959 20 5 DDBDRO COCCN1CC[C@H]([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000595019555 356372961 /nfs/dbraw/zinc/37/29/61/356372961.db2.gz QXZWBVXBCNAQGA-OLZOCXBDSA-N 1 0 323.393 1.975 20 5 DDBDRO Cc1ccc([C@@H](C)[NH2+]C[C@]2(OCCO)CCOC2)cc1[N+](=O)[O-] ZINC000595078284 356378812 /nfs/dbraw/zinc/37/88/12/356378812.db2.gz OLYZNZJLIJNNSY-CZUORRHYSA-N 1 0 324.377 1.722 20 5 DDBDRO CN(CC(C)(C)[NH3+])C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000595265335 356425631 /nfs/dbraw/zinc/42/56/31/356425631.db2.gz HDGXNVOVJTYRSY-UHFFFAOYSA-N 1 0 310.354 1.352 20 5 DDBDRO O=[N+]([O-])c1cc(F)ccc1CN1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000595328535 356450692 /nfs/dbraw/zinc/45/06/92/356450692.db2.gz WMNDGZHOEHCGJF-CYBMUJFWSA-N 1 0 323.368 1.888 20 5 DDBDRO CC(C)(O)C[NH+]1CCN(Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595307442 356442635 /nfs/dbraw/zinc/44/26/35/356442635.db2.gz WGPVPAPRENVGSY-UHFFFAOYSA-N 1 0 311.357 1.622 20 5 DDBDRO COCC1([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCOCC1 ZINC000595502576 356521391 /nfs/dbraw/zinc/52/13/91/356521391.db2.gz ZSXSPOSTNXLYFJ-UHFFFAOYSA-N 1 0 320.349 1.756 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C2(CCO)CCCC2)c1 ZINC000595509340 356525036 /nfs/dbraw/zinc/52/50/36/356525036.db2.gz RFTBGZVCRBNNAZ-AWEZNQCLSA-N 1 0 324.377 1.619 20 5 DDBDRO Cc1noc(CN2CCOC3(CC[NH+](C)CC3)C2)c1[N+](=O)[O-] ZINC000595558843 356550175 /nfs/dbraw/zinc/55/01/75/356550175.db2.gz QOLCBFPIXIUGSU-UHFFFAOYSA-N 1 0 310.354 1.188 20 5 DDBDRO O=C1CC[C@@H]2C[N@H+](CCOc3cccc([N+](=O)[O-])c3)CC[C@H]2N1 ZINC000595744232 356632723 /nfs/dbraw/zinc/63/27/23/356632723.db2.gz UUBOYUKBTWJOIP-IUODEOHRSA-N 1 0 319.361 1.574 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H]1C[C@H](O)C12CCC2 ZINC000595781109 356649526 /nfs/dbraw/zinc/64/95/26/356649526.db2.gz KDFDQMQMNQEODE-KBPBESRZSA-N 1 0 319.361 1.735 20 5 DDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@H]2COC[C@@]2(C)C1 ZINC000595755459 356637408 /nfs/dbraw/zinc/63/74/08/356637408.db2.gz ARLLWCNSJQONHQ-BFQNTYOBSA-N 1 0 319.361 1.890 20 5 DDBDRO C[C@@H]1COC2(CCCC2)C[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000595816420 356661839 /nfs/dbraw/zinc/66/18/39/356661839.db2.gz WZMKQJBKGLOCLA-TZMCWYRMSA-N 1 0 324.381 1.186 20 5 DDBDRO C[NH2+]C1CCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000237070906 202142410 /nfs/dbraw/zinc/14/24/10/202142410.db2.gz BCRCWPSUOODWFL-UHFFFAOYSA-N 1 0 311.313 1.323 20 5 DDBDRO [NH3+]CC12CC(C1)CN2C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000595942113 356715972 /nfs/dbraw/zinc/71/59/72/356715972.db2.gz GVJQIVLEPFBRSJ-UHFFFAOYSA-N 1 0 312.329 1.706 20 5 DDBDRO CCCN1CC[C@@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000596067271 356759976 /nfs/dbraw/zinc/75/99/76/356759976.db2.gz YGPNBXUNMFOTCT-ZIAGYGMSSA-N 1 0 323.393 1.408 20 5 DDBDRO CC[NH+]1CCN(CCNc2ccc([N+](=O)[O-])c(C(C)=O)c2)CC1 ZINC000596073091 356762806 /nfs/dbraw/zinc/76/28/06/356762806.db2.gz FNOBDCPYSOUEDD-UHFFFAOYSA-N 1 0 320.393 1.847 20 5 DDBDRO CCC[C@@H]1CN(c2ccc(N)c([N+](=O)[O-])n2)CC[N@@H+]1CCOC ZINC000596177473 356802740 /nfs/dbraw/zinc/80/27/40/356802740.db2.gz LWRWWDDXJOWOTF-GFCCVEGCSA-N 1 0 323.397 1.509 20 5 DDBDRO CCN(C(=O)NCCc1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C)C1 ZINC000596517249 356903475 /nfs/dbraw/zinc/90/34/75/356903475.db2.gz FYLUBQKUVKETCW-OAHLLOKOSA-N 1 0 320.393 1.873 20 5 DDBDRO CC(C)(C(=O)NCC12CCC[NH+]1CCC2)n1cc([N+](=O)[O-])cn1 ZINC000597587408 357239893 /nfs/dbraw/zinc/23/98/93/357239893.db2.gz SRBQMFUONMTNHS-UHFFFAOYSA-N 1 0 321.381 1.271 20 5 DDBDRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1ccc([N+](=O)[O-])cn1)C2 ZINC000597716681 357300180 /nfs/dbraw/zinc/30/01/80/357300180.db2.gz RREHIXCMCPSYTH-HNNXBMFYSA-N 1 0 304.350 1.548 20 5 DDBDRO CCc1n[nH]c(C(=O)N(CC)[C@@H]2CC[N@H+](CC)C2)c1[N+](=O)[O-] ZINC000598043929 357440400 /nfs/dbraw/zinc/44/04/00/357440400.db2.gz XMIBSJMATBSRNC-SNVBAGLBSA-N 1 0 309.370 1.437 20 5 DDBDRO C[C@@H]1CC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H]1CO ZINC000598643500 357666354 /nfs/dbraw/zinc/66/63/54/357666354.db2.gz LMUYIPKAVOKOKM-VNHYZAJKSA-N 1 0 324.377 1.285 20 5 DDBDRO Cn1c(C(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000598562522 357633586 /nfs/dbraw/zinc/63/35/86/357633586.db2.gz VRYZBSYCVJXJEH-CYBMUJFWSA-N 1 0 320.393 1.785 20 5 DDBDRO CNC(=O)C(C)(C)C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000331002869 283281179 /nfs/dbraw/zinc/28/11/79/283281179.db2.gz KLRQNQXEIJFRNC-NWDGAFQWSA-N 1 0 323.397 1.637 20 5 DDBDRO CN1CCOC[C@@H]1C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000599076787 357808068 /nfs/dbraw/zinc/80/80/68/357808068.db2.gz GBEPAPUMBMAZCN-MJBXVCDLSA-N 1 0 323.397 1.195 20 5 DDBDRO O=[N+]([O-])c1cc2c(nc1NCC[N@H+]1CC[C@@H](O)C1)CCCC2 ZINC000599176743 357840090 /nfs/dbraw/zinc/84/00/90/357840090.db2.gz WBICNJDUHNCKKS-GFCCVEGCSA-N 1 0 306.366 1.347 20 5 DDBDRO O=[N+]([O-])c1ccc(NCC[N@H+]2CC[C@H](O)C2)c2ncccc12 ZINC000599199413 357847731 /nfs/dbraw/zinc/84/77/31/357847731.db2.gz JYDFTLPBNNFGCO-NSHDSACASA-N 1 0 302.334 1.622 20 5 DDBDRO CC(C)(C)OC(=O)[C@]1(C)CCCN1CCn1ccc([N+](=O)[O-])n1 ZINC000599494464 357956206 /nfs/dbraw/zinc/95/62/06/357956206.db2.gz HUUGFWOOUUOASS-HNNXBMFYSA-N 1 0 324.381 1.988 20 5 DDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)CC1(C)COC1 ZINC000599571634 357979527 /nfs/dbraw/zinc/97/95/27/357979527.db2.gz OKMJQLAWSBIYKR-LLVKDONJSA-N 1 0 307.350 1.890 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NC1(C[NH3+])CCOCC1 ZINC000599587130 357984205 /nfs/dbraw/zinc/98/42/05/357984205.db2.gz CSSQZBWWSBCNJM-UHFFFAOYSA-N 1 0 324.337 1.233 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N(C)CCOCC[NH3+] ZINC000599607504 357991363 /nfs/dbraw/zinc/99/13/63/357991363.db2.gz ZEDFGUMEAZQZFY-UHFFFAOYSA-N 1 0 310.354 1.651 20 5 DDBDRO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000599624508 357996970 /nfs/dbraw/zinc/99/69/70/357996970.db2.gz FOQATVXTUNJZKU-LVYCXYHQSA-N 1 0 324.377 1.736 20 5 DDBDRO CN(C(=O)C[N@H+](C)C[C@H]1C[C@@H](O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000599673175 358019511 /nfs/dbraw/zinc/01/95/11/358019511.db2.gz QOIMTLDORXYMSN-VDISTLRHSA-N 1 0 307.350 1.260 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000599894971 358076585 /nfs/dbraw/zinc/07/65/85/358076585.db2.gz ALYVWSKKGTVNLS-MNOVXSKESA-N 1 0 320.349 1.098 20 5 DDBDRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000599998967 358100450 /nfs/dbraw/zinc/10/04/50/358100450.db2.gz CMKPIZKIAYRZTC-FICVDOATSA-N 1 0 317.389 1.891 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000600228488 358162359 /nfs/dbraw/zinc/16/23/59/358162359.db2.gz BTAJWUXRCXLZFL-GFCCVEGCSA-N 1 0 321.381 1.465 20 5 DDBDRO C[NH2+]CC1CCN(C(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000237351267 202241974 /nfs/dbraw/zinc/24/19/74/202241974.db2.gz QNWGBNMEXQGXPT-UHFFFAOYSA-N 1 0 307.350 1.675 20 5 DDBDRO C[NH2+]CCN(C)C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000237365438 202244733 /nfs/dbraw/zinc/24/47/33/202244733.db2.gz VHGLFXMZNJWVIR-UHFFFAOYSA-N 1 0 303.322 1.072 20 5 DDBDRO C[NH2+]C1(CNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CCC1 ZINC000600826311 358326662 /nfs/dbraw/zinc/32/66/62/358326662.db2.gz ZYPXTEFHTFWMJS-UHFFFAOYSA-N 1 0 316.361 1.808 20 5 DDBDRO C[NH2+]C1(CNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CCC1 ZINC000600824818 358326832 /nfs/dbraw/zinc/32/68/32/358326832.db2.gz QNWGZGGPLWJCGW-UHFFFAOYSA-N 1 0 302.334 1.948 20 5 DDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000601973313 358760323 /nfs/dbraw/zinc/76/03/23/358760323.db2.gz JVXPQFJQNQMZCG-UTUOFQBUSA-N 1 0 305.334 1.500 20 5 DDBDRO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000348160656 283396251 /nfs/dbraw/zinc/39/62/51/283396251.db2.gz LTLVMHNZCCAKDJ-QWRGUYRKSA-N 1 0 317.349 1.475 20 5 DDBDRO CC[C@@](C)(C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1)OC ZINC000602439880 358977972 /nfs/dbraw/zinc/97/79/72/358977972.db2.gz PZXVSGCPZSPMIT-HNNXBMFYSA-N 1 0 308.382 1.927 20 5 DDBDRO CN(CCOCC[NH3+])C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000602559755 359045086 /nfs/dbraw/zinc/04/50/86/359045086.db2.gz QKHVCPUVWZBDBO-UHFFFAOYSA-N 1 0 301.730 1.296 20 5 DDBDRO CO[C@]1(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)CCOC1 ZINC000602472615 359002064 /nfs/dbraw/zinc/00/20/64/359002064.db2.gz JBTCOSOISMCYIR-WFASDCNBSA-N 1 0 322.365 1.282 20 5 DDBDRO CO[C@H]1C[NH2+][C@](C)(C(=O)NCc2cccc([N+](=O)[O-])c2C)C1 ZINC000602499633 359015236 /nfs/dbraw/zinc/01/52/36/359015236.db2.gz RMDSHQKKRRENMY-DOMZBBRYSA-N 1 0 307.350 1.286 20 5 DDBDRO CO[C@@]1(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)CCOC1 ZINC000602641989 359093943 /nfs/dbraw/zinc/09/39/43/359093943.db2.gz WTTWDSVEBIBMOW-CQSZACIVSA-N 1 0 310.354 1.234 20 5 DDBDRO O=C(NCc1cccc2c1CC[NH2+]C2)c1ccc([N+](=O)[O-])o1 ZINC000602585437 359056889 /nfs/dbraw/zinc/05/68/89/359056889.db2.gz REZNWPRZWDVDOF-UHFFFAOYSA-N 1 0 301.302 1.764 20 5 DDBDRO Cc1nn(C)cc1[C@H]1CCC[N@@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602789276 359192949 /nfs/dbraw/zinc/19/29/49/359192949.db2.gz UAVWXWIIFLQZOG-CQSZACIVSA-N 1 0 318.381 1.979 20 5 DDBDRO C[C@@]1(O)C[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000602695808 359130861 /nfs/dbraw/zinc/13/08/61/359130861.db2.gz OGEVHMKUASTFJT-JNSHFYNHSA-N 1 0 306.366 1.462 20 5 DDBDRO C[C@H](O)C1([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1 ZINC000602717892 359146915 /nfs/dbraw/zinc/14/69/15/359146915.db2.gz JTVLMFTZRSSPBX-NSHDSACASA-N 1 0 306.366 1.462 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H]([C@H](CO)C1CC1)C1CC1 ZINC000602840112 359230162 /nfs/dbraw/zinc/23/01/62/359230162.db2.gz IVKNFFZYVZKNPI-UKRRQHHQSA-N 1 0 308.382 1.486 20 5 DDBDRO COC1([C@@H](C)[NH2+]CCn2c(C)ncc2[N+](=O)[O-])CCOCC1 ZINC000602848894 359236698 /nfs/dbraw/zinc/23/66/98/359236698.db2.gz XRNXHNACSCEUFJ-LLVKDONJSA-N 1 0 312.370 1.273 20 5 DDBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCO[C@H](Cn2ccnn2)C1 ZINC000602903570 359284586 /nfs/dbraw/zinc/28/45/86/359284586.db2.gz RFJYVRZZAWRKEY-WFASDCNBSA-N 1 0 317.349 1.648 20 5 DDBDRO C[NH+](C)C[C@]1(O)CCCN(Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000602892436 359275981 /nfs/dbraw/zinc/27/59/81/359275981.db2.gz RIOWLRZMYFNZFZ-OAHLLOKOSA-N 1 0 311.357 1.622 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@H]1c1ncccn1 ZINC000602896778 359279362 /nfs/dbraw/zinc/27/93/62/359279362.db2.gz GXFGSMFBKBZNRE-LBPRGKRZSA-N 1 0 302.338 1.727 20 5 DDBDRO C[C@@](CO)([NH2+]CCO[C@H]1CCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000602962378 359325012 /nfs/dbraw/zinc/32/50/12/359325012.db2.gz KCLKSMMDDYETHZ-HOTGVXAUSA-N 1 0 324.377 1.935 20 5 DDBDRO C[C@](CO)([NH2+]CCOCC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000602965498 359329019 /nfs/dbraw/zinc/32/90/19/359329019.db2.gz HBDWYINPLFCTGF-GFCCVEGCSA-N 1 0 322.283 1.971 20 5 DDBDRO CCC1([NH+](C)C)CCN(CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000602966623 359330179 /nfs/dbraw/zinc/33/01/79/359330179.db2.gz MAIMTIOHTXINKF-UHFFFAOYSA-N 1 0 309.414 1.906 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2C[C@H]([NH+](C)C)C2(C)C)n1 ZINC000603405036 359621010 /nfs/dbraw/zinc/62/10/10/359621010.db2.gz GGNPWHILHRZWIJ-NEPJUHHUSA-N 1 0 322.365 1.917 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NCC[NH2+]C1CCCCCC1 ZINC000237576332 202290026 /nfs/dbraw/zinc/29/00/26/202290026.db2.gz HWJSVCVXRMVPAR-UHFFFAOYSA-N 1 0 323.397 1.528 20 5 DDBDRO Cc1ccc(C(=O)Nc2cnn(CC[NH+](C)C)c2)cc1[N+](=O)[O-] ZINC000604511302 359759149 /nfs/dbraw/zinc/75/91/49/359759149.db2.gz RCDVZJZZNOUGBM-UHFFFAOYSA-N 1 0 317.349 1.914 20 5 DDBDRO C[C@H]1CN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC[NH2+]1 ZINC000237586372 202293585 /nfs/dbraw/zinc/29/35/85/202293585.db2.gz JZQXMKNNARIQKJ-NSHDSACASA-N 1 0 315.333 1.214 20 5 DDBDRO C[C@@H]1CN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)[C@H](C)C[NH2+]1 ZINC000237639833 202313652 /nfs/dbraw/zinc/31/36/52/202313652.db2.gz PYIISFVIGGMCLO-RKDXNWHRSA-N 1 0 303.322 1.294 20 5 DDBDRO COCC[C@]1([NH2+]CCOc2cccc([N+](=O)[O-])c2)CCOC1 ZINC000618550995 363669058 /nfs/dbraw/zinc/66/90/58/363669058.db2.gz JQGTUIVRMXPDJY-HNNXBMFYSA-N 1 0 310.350 1.759 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C[C@@H]1CCCCO1 ZINC000565797164 304093197 /nfs/dbraw/zinc/09/31/97/304093197.db2.gz MYXRJFFPHGAXRO-STQMWFEESA-N 1 0 310.350 1.493 20 5 DDBDRO COCC[N@@H+]1CCC[C@H](NC(=O)c2cc(C)cc([N+](=O)[O-])c2)C1 ZINC000609269114 360286043 /nfs/dbraw/zinc/28/60/43/360286043.db2.gz LFKIQEROWAIKGK-AWEZNQCLSA-N 1 0 321.377 1.744 20 5 DDBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000609833338 360354031 /nfs/dbraw/zinc/35/40/31/360354031.db2.gz HKMOJIVLIQOMGF-ZDUSSCGKSA-N 1 0 323.397 1.480 20 5 DDBDRO C[C@H](CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)C[NH+](C)C ZINC000292408691 223057902 /nfs/dbraw/zinc/05/79/02/223057902.db2.gz OZDDRWQNZMVFOD-GFCCVEGCSA-N 1 0 318.377 1.863 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[N@H+]2CCc3ccc(O)cc3CC2)c1 ZINC000610447706 360438751 /nfs/dbraw/zinc/43/87/51/360438751.db2.gz AYHDJQWYARHRNY-UHFFFAOYSA-N 1 0 302.334 1.598 20 5 DDBDRO Cc1c([C@H](C)[NH2+]CC(=O)N2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000610805631 360541458 /nfs/dbraw/zinc/54/14/58/360541458.db2.gz LKNVKQLSDCNLQC-ZDUSSCGKSA-N 1 0 320.393 1.328 20 5 DDBDRO CC[N@@H+]1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000611088143 360618877 /nfs/dbraw/zinc/61/88/77/360618877.db2.gz FKWWNQUYKBKUQE-GFCCVEGCSA-N 1 0 307.350 1.526 20 5 DDBDRO CC[N@@H+]1CCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000611092116 360621480 /nfs/dbraw/zinc/62/14/80/360621480.db2.gz JAESPISAXNWFTR-STQMWFEESA-N 1 0 320.393 1.948 20 5 DDBDRO O=[N+]([O-])c1cc2c(cc1C[N@H+](CCO)CC1CC1)OCCO2 ZINC000611265547 360684029 /nfs/dbraw/zinc/68/40/29/360684029.db2.gz NOYMTJOKMJEQLM-UHFFFAOYSA-N 1 0 308.334 1.570 20 5 DDBDRO C[NH+](C)CCOc1cc(CNc2cccnc2[N+](=O)[O-])ccn1 ZINC000611193918 360656759 /nfs/dbraw/zinc/65/67/59/360656759.db2.gz PJTIFGGTYDOPSZ-UHFFFAOYSA-N 1 0 317.349 1.937 20 5 DDBDRO C[NH2+]C[C@H]1CCCN1C(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000493760673 283591365 /nfs/dbraw/zinc/59/13/65/283591365.db2.gz SZBVBDFHGYQFHJ-SCXUMTSISA-N 1 0 307.325 1.958 20 5 DDBDRO C[C@H](CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-])C[NH+](C)C ZINC000292569776 223153459 /nfs/dbraw/zinc/15/34/59/223153459.db2.gz IRAAMZBPUKEVSI-LLVKDONJSA-N 1 0 315.395 1.212 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1CN1CC[C@H](CS(C)(=O)=O)C1 ZINC000292722159 223217095 /nfs/dbraw/zinc/21/70/95/223217095.db2.gz FLBCNCXHAWIYLY-LBPRGKRZSA-N 1 0 312.391 1.770 20 5 DDBDRO Cc1c(C(=O)N2CCC[C@](O)(C[NH+](C)C)C2)cccc1[N+](=O)[O-] ZINC000618924279 363804105 /nfs/dbraw/zinc/80/41/05/363804105.db2.gz VATOCSUHPJFVHM-INIZCTEOSA-N 1 0 321.377 1.432 20 5 DDBDRO CN(CC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1)c1ccccc1[N+](=O)[O-] ZINC000248615201 202751200 /nfs/dbraw/zinc/75/12/00/202751200.db2.gz LVEHTOYLEDQQOZ-AVGNSLFASA-N 1 0 318.377 1.227 20 5 DDBDRO C[C@H](C[N@H+](C)Cc1ccccc1)Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000271813579 209237127 /nfs/dbraw/zinc/23/71/27/209237127.db2.gz MKEXWSMFUKTXEF-LLVKDONJSA-N 1 0 316.365 1.899 20 5 DDBDRO C[C@@H](c1ccncc1)[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000091990462 193138280 /nfs/dbraw/zinc/13/82/80/193138280.db2.gz HVYPQZMUUUXEHI-LBPRGKRZSA-N 1 0 302.334 1.845 20 5 DDBDRO COc1c(C(=O)NCCNc2cc[nH+]cc2)cccc1[N+](=O)[O-] ZINC000359275320 299390300 /nfs/dbraw/zinc/39/03/00/299390300.db2.gz URZDOQYENIWPRD-UHFFFAOYSA-N 1 0 316.317 1.262 20 5 DDBDRO COCC1(CNC(=O)c2csc([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000261748642 203107857 /nfs/dbraw/zinc/10/78/57/203107857.db2.gz SVJVNEYSYDYUMS-UHFFFAOYSA-N 1 0 313.379 1.402 20 5 DDBDRO C[C@H](CC[NH3+])NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000349955957 284118415 /nfs/dbraw/zinc/11/84/15/284118415.db2.gz AMCXBZIABVVPEH-LLVKDONJSA-N 1 0 306.366 1.662 20 5 DDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H]([NH3+])C1CCOCC1 ZINC000261877137 203141396 /nfs/dbraw/zinc/14/13/96/203141396.db2.gz UEUUHNHJJDWEBI-AWEZNQCLSA-N 1 0 307.350 1.307 20 5 DDBDRO COc1cc(C(=O)N2CCC[C@@H](CC[NH3+])C2)ccc1[N+](=O)[O-] ZINC000262359835 203271679 /nfs/dbraw/zinc/27/16/79/203271679.db2.gz WFPJHUFKWZKWNY-NSHDSACASA-N 1 0 307.350 1.804 20 5 DDBDRO Nc1c(C(=O)N[C@H](C[NH3+])C2CCCCC2)cccc1[N+](=O)[O-] ZINC000262602891 203347626 /nfs/dbraw/zinc/34/76/26/203347626.db2.gz QUAPUWPFFDGHFY-GFCCVEGCSA-N 1 0 306.366 1.814 20 5 DDBDRO C[C@H]1C[C@H](NC(=O)CCNc2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000262795765 203406434 /nfs/dbraw/zinc/40/64/34/203406434.db2.gz DOZXMIJDXYOBLK-NWDGAFQWSA-N 1 0 306.366 1.654 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[C@@H]([NH+](C)C)C1 ZINC000093986099 193334798 /nfs/dbraw/zinc/33/47/98/193334798.db2.gz HHIDMBHLRMVLFU-GHMZBOCLSA-N 1 0 307.350 1.816 20 5 DDBDRO COc1ccc(NC(=O)C[NH2+][C@@H]2C[C@@H](O)C2(C)C)c([N+](=O)[O-])c1 ZINC000566425509 304153839 /nfs/dbraw/zinc/15/38/39/304153839.db2.gz ZLTMHORCDGDHLJ-CHWSQXEVSA-N 1 0 323.349 1.291 20 5 DDBDRO COc1ccc(CNC(=O)NCC[N@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000264771335 204144748 /nfs/dbraw/zinc/14/47/48/204144748.db2.gz AHEXFYQYLMJDAP-UHFFFAOYSA-N 1 0 322.365 1.497 20 5 DDBDRO C[NH+](C)C1(CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)CCOCC1 ZINC000265038280 204358214 /nfs/dbraw/zinc/35/82/14/204358214.db2.gz PUSXTUPCYKGOAP-UHFFFAOYSA-N 1 0 322.365 1.018 20 5 DDBDRO CC[N@@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000282747788 217223497 /nfs/dbraw/zinc/22/34/97/217223497.db2.gz BTUQGLAJMYNEDE-VIFPVBQESA-N 1 0 310.329 1.388 20 5 DDBDRO CC[N@@H+](Cc1ccccc1C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266444641 205350926 /nfs/dbraw/zinc/35/09/26/205350926.db2.gz NLRRXMNCEAWPAB-INIZCTEOSA-N 1 0 318.377 1.983 20 5 DDBDRO CO[C@@H]1CCC[C@H]1C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000566673509 304175150 /nfs/dbraw/zinc/17/51/50/304175150.db2.gz PAWLVBMOPRIOTH-KCQAQPDRSA-N 1 0 324.377 1.739 20 5 DDBDRO C[NH+](C)CCn1ccc(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)n1 ZINC000566804808 304182563 /nfs/dbraw/zinc/18/25/63/304182563.db2.gz AFLNAIQEJRJEEK-UHFFFAOYSA-N 1 0 321.312 1.744 20 5 DDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000086468896 291600925 /nfs/dbraw/zinc/60/09/25/291600925.db2.gz YKOOAPQPAYAPLN-ZJUUUORDSA-N 1 0 313.379 1.274 20 5 DDBDRO COC(=O)c1cc(C)nc(N2CC[NH2+]C(C)(C)C2)c1[N+](=O)[O-] ZINC000420281838 284524885 /nfs/dbraw/zinc/52/48/85/284524885.db2.gz RUAAZHNPOBOSTN-UHFFFAOYSA-N 1 0 308.338 1.273 20 5 DDBDRO CO[C@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000267867247 206311181 /nfs/dbraw/zinc/31/11/81/206311181.db2.gz ZFLIWQIZMPODAU-ZDUSSCGKSA-N 1 0 307.350 1.953 20 5 DDBDRO [NH3+]C[C@@H]1CN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CCCO1 ZINC000313351882 248840887 /nfs/dbraw/zinc/84/08/87/248840887.db2.gz KUKBJTHHHMHWFU-SECBINFHSA-N 1 0 313.741 1.438 20 5 DDBDRO C[C@@H]([NH2+]CCCN1CCCC1=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284191427 217923381 /nfs/dbraw/zinc/92/33/81/217923381.db2.gz RRDVYAOFUNZIRI-LLVKDONJSA-N 1 0 306.366 1.840 20 5 DDBDRO CC1(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC[NH2+]CC1 ZINC000579581790 422795368 /nfs/dbraw/zinc/79/53/68/422795368.db2.gz IDGZNCFKMAZTHE-UHFFFAOYSA-N 1 0 307.306 1.195 20 5 DDBDRO C[NH+](C)[C@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)c1cccc(F)c1 ZINC000284837649 218200537 /nfs/dbraw/zinc/20/05/37/218200537.db2.gz BSDWAFCFNXCJCZ-GFCCVEGCSA-N 1 0 321.312 1.490 20 5 DDBDRO C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CC[NH2+]1 ZINC000579590073 422796474 /nfs/dbraw/zinc/79/64/74/422796474.db2.gz GVHQTXZDTGWVKK-NXEZZACHSA-N 1 0 321.333 1.236 20 5 DDBDRO C[C@H]([NH2+]CCNC(=O)c1ccco1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285181656 218322765 /nfs/dbraw/zinc/32/27/65/218322765.db2.gz NHSBSLHECUKDBA-JTQLQIEISA-N 1 0 318.333 1.851 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000052950872 183881739 /nfs/dbraw/zinc/88/17/39/183881739.db2.gz SZIDLLOCHSFRNV-UHFFFAOYSA-N 1 0 306.366 1.901 20 5 DDBDRO Cc1cc(NC[C@@H](O)[C@@H]2CCOC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000340780829 251208304 /nfs/dbraw/zinc/20/83/04/251208304.db2.gz QGBXFZBCISOBRY-BDJLRTHQSA-N 1 0 317.345 1.683 20 5 DDBDRO Cc1c(NC(=O)CC[N@H+]2C[C@H](O)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000340982364 251318125 /nfs/dbraw/zinc/31/81/25/251318125.db2.gz YTDXEHQHVMOBQV-ZYHUDNBSSA-N 1 0 307.350 1.687 20 5 DDBDRO C[C@H]1C[C@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000341009069 251333066 /nfs/dbraw/zinc/33/30/66/251333066.db2.gz AHJGRHFAVIKMMT-WCQYABFASA-N 1 0 306.366 1.877 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CCC3(CC2)OCCO3)c1 ZINC000062351199 184231622 /nfs/dbraw/zinc/23/16/22/184231622.db2.gz DCRVZGUGXDQJFQ-CQSZACIVSA-N 1 0 308.334 1.467 20 5 DDBDRO C[C@H](NC(=O)COc1cccc([N+](=O)[O-])c1)[C@H]1CCC[NH2+]C1 ZINC000269229314 207349689 /nfs/dbraw/zinc/34/96/89/207349689.db2.gz VMQUUZQUDIXMRQ-RYUDHWBXSA-N 1 0 307.350 1.478 20 5 DDBDRO CC1(C)SC[C@H]1[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000567708855 304236129 /nfs/dbraw/zinc/23/61/29/304236129.db2.gz XXRSJUBJDJCURR-WCQYABFASA-N 1 0 312.391 1.818 20 5 DDBDRO CC(C)[C@H]([NH3+])CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000269250218 207390115 /nfs/dbraw/zinc/39/01/15/207390115.db2.gz GDWUDPCSEHCJFB-CYBMUJFWSA-N 1 0 320.393 1.908 20 5 DDBDRO C[NH2+]CCS[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000567809002 304244435 /nfs/dbraw/zinc/24/44/35/304244435.db2.gz FWRNHGXKJOGJQL-VIFPVBQESA-N 1 0 313.379 1.883 20 5 DDBDRO O=C1OCC[C@@H]1CC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000119986926 195075031 /nfs/dbraw/zinc/07/50/31/195075031.db2.gz ROMKRKPMMAGSMA-ZDUSSCGKSA-N 1 0 319.361 1.670 20 5 DDBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000158581480 197285369 /nfs/dbraw/zinc/28/53/69/197285369.db2.gz LWQMEHQHBXWMOC-MRXNPFEDSA-N 1 0 318.377 1.609 20 5 DDBDRO CCCc1n[nH]c(C(=O)NC[C@H]2CC[N@H+](CC)C2)c1[N+](=O)[O-] ZINC000156765842 197138966 /nfs/dbraw/zinc/13/89/66/197138966.db2.gz QLIJATHJUDVXAK-SNVBAGLBSA-N 1 0 309.370 1.342 20 5 DDBDRO CC(C)C[C@H](C[NH3+])NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000155466038 197057286 /nfs/dbraw/zinc/05/72/86/197057286.db2.gz YLZPMZKIGSYZER-SNVBAGLBSA-N 1 0 310.310 1.606 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1[C@@H](C)C[NH+](C)C[C@@H]1C ZINC000155115220 197023468 /nfs/dbraw/zinc/02/34/68/197023468.db2.gz OYFPSVZFWGBIMF-QWRGUYRKSA-N 1 0 309.370 1.041 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H](CO)C1CCCC1 ZINC000352706352 285242136 /nfs/dbraw/zinc/24/21/36/285242136.db2.gz MXIXZSSZJQYGDH-OAHLLOKOSA-N 1 0 321.377 1.982 20 5 DDBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000289809745 221241664 /nfs/dbraw/zinc/24/16/64/221241664.db2.gz PIMIVFVGQKPQQH-VXGBXAGGSA-N 1 0 321.402 1.755 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCOC[C@@H]1[C@H](C)[NH3+] ZINC000422720927 533222739 /nfs/dbraw/zinc/22/27/39/533222739.db2.gz UFTMFVYNVCUXSD-ZLKJLUDKSA-N 1 0 309.366 1.445 20 5 DDBDRO CN(CC[NH+](C)C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000289947166 221335018 /nfs/dbraw/zinc/33/50/18/221335018.db2.gz XPWOLZOOLMSFAX-UHFFFAOYSA-N 1 0 317.393 1.989 20 5 DDBDRO COc1cc(C[NH2+]CCO)c([N+](=O)[O-])cc1OCC(F)F ZINC000352849539 285334407 /nfs/dbraw/zinc/33/44/07/285334407.db2.gz POXXZXPITMRUEY-UHFFFAOYSA-N 1 0 306.265 1.329 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000414656100 224369352 /nfs/dbraw/zinc/36/93/52/224369352.db2.gz MITRFUYOGRUCKY-VHSXEESVSA-N 1 0 308.338 1.995 20 5 DDBDRO Cc1cc(C(=O)NCCCN2CC[NH+](C)CC2)cc([N+](=O)[O-])c1 ZINC000121897484 195370991 /nfs/dbraw/zinc/37/09/91/195370991.db2.gz FOBNYAOVNULNOU-UHFFFAOYSA-N 1 0 320.393 1.271 20 5 DDBDRO COC(=O)[C@@H]1CN(c2ccc([N+](=O)[O-])c(OC)c2)CC[N@H+](C)C1 ZINC000413503517 533490686 /nfs/dbraw/zinc/49/06/86/533490686.db2.gz SJFOYMIULPJFII-NSHDSACASA-N 1 0 323.349 1.144 20 5 DDBDRO COc1cc(C(=O)N[C@@H](C)CC[NH+](C)C)c([N+](=O)[O-])cc1F ZINC000295021593 533543135 /nfs/dbraw/zinc/54/31/35/533543135.db2.gz ZJYKPMGLHQFPQM-VIFPVBQESA-N 1 0 313.329 1.813 20 5 DDBDRO COc1ccc(CNC(=O)[C@@H]2C[C@]23CC[NH2+]C3)cc1[N+](=O)[O-] ZINC000444156172 533641235 /nfs/dbraw/zinc/64/12/35/533641235.db2.gz KVWWWBRARKELAB-NHYWBVRUSA-N 1 0 305.334 1.219 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@H](C)CC[NH3+])c1C ZINC000336834396 291994785 /nfs/dbraw/zinc/99/47/85/291994785.db2.gz QVYKIGVCPPVUKM-SECBINFHSA-N 1 0 301.368 1.227 20 5 DDBDRO O=C(NCC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ccn[nH]1 ZINC000568647056 304303850 /nfs/dbraw/zinc/30/38/50/304303850.db2.gz JSEDINYBVVHRJY-GFCCVEGCSA-N 1 0 315.333 1.325 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)[C@@H](C[NH3+])C1CC1 ZINC000359901748 306966792 /nfs/dbraw/zinc/96/67/92/306966792.db2.gz AAEXEFCCKPVPTE-AWEZNQCLSA-N 1 0 306.366 1.511 20 5 DDBDRO CCCC[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593544567 397388446 /nfs/dbraw/zinc/38/84/46/397388446.db2.gz IBVWTUOMHBEQFY-UHFFFAOYSA-N 1 0 316.383 1.000 20 5 DDBDRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000261641794 407566757 /nfs/dbraw/zinc/56/67/57/407566757.db2.gz DQIRUNGMKCDTKJ-RYUDHWBXSA-N 1 0 307.350 1.559 20 5 DDBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@@H]2CCCS(=O)(=O)C2)cc1 ZINC000069144326 406687268 /nfs/dbraw/zinc/68/72/68/406687268.db2.gz WUHFMQRHNSDMTF-LLVKDONJSA-N 1 0 314.363 1.140 20 5 DDBDRO CC[NH+](CC)CCNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000007612566 406762089 /nfs/dbraw/zinc/76/20/89/406762089.db2.gz BYJKBCLZRDTAAI-UHFFFAOYSA-N 1 0 315.395 1.523 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC([NH3+])CC2)cc1C ZINC000021021560 406888585 /nfs/dbraw/zinc/88/85/85/406888585.db2.gz OGMYWCYCRIEMOI-UHFFFAOYSA-N 1 0 313.379 1.323 20 5 DDBDRO CC(C)[NH+]1CCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000075635295 406938240 /nfs/dbraw/zinc/93/82/40/406938240.db2.gz UNCYKVVPTIBNFE-UHFFFAOYSA-N 1 0 320.393 1.584 20 5 DDBDRO COCCOC[C@@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000075953152 406946949 /nfs/dbraw/zinc/94/69/49/406946949.db2.gz QNUFABHOTHLJPT-CQSZACIVSA-N 1 0 324.377 1.959 20 5 DDBDRO O=C(CN1CC[NH+](CC2CC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000053237032 407165521 /nfs/dbraw/zinc/16/55/21/407165521.db2.gz SLXFYNXXZSJNLH-UHFFFAOYSA-N 1 0 318.377 1.561 20 5 DDBDRO CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000056196724 407208822 /nfs/dbraw/zinc/20/88/22/407208822.db2.gz HFFCFZRIZQLSFV-GHMZBOCLSA-N 1 0 322.365 1.868 20 5 DDBDRO COCC[NH+]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000122984501 407316043 /nfs/dbraw/zinc/31/60/43/407316043.db2.gz JGQZWXLEGYIQDS-GQCTYLIASA-N 1 0 305.378 1.872 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+](Cc2cccnc2)C2CC2)c1 ZINC000124704860 407367183 /nfs/dbraw/zinc/36/71/83/407367183.db2.gz DNSUTKAYVXEZRN-OAHLLOKOSA-N 1 0 317.349 1.212 20 5 DDBDRO [NH3+][C@@H]1CCC[C@@H]1C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000126286353 407410327 /nfs/dbraw/zinc/41/03/27/407410327.db2.gz XQQRBGRLLJPGJO-LSDHHAIUSA-N 1 0 318.377 1.371 20 5 DDBDRO O=[N+]([O-])c1ccc(CCN2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000178495756 407473620 /nfs/dbraw/zinc/47/36/20/407473620.db2.gz RQHGUMCBPVAGQK-MRXNPFEDSA-N 1 0 319.405 1.791 20 5 DDBDRO CN(C(=O)CN1CCC([NH+](C)C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000127898770 407474973 /nfs/dbraw/zinc/47/49/73/407474973.db2.gz XHRNPMRGKNNTGM-UHFFFAOYSA-N 1 0 320.393 1.584 20 5 DDBDRO C[C@@H]1CN(CCn2cc([N+](=O)[O-])cn2)CCN1CC(F)(F)F ZINC000127957736 407480875 /nfs/dbraw/zinc/48/08/75/407480875.db2.gz DAJKZMCVQHIQSW-SNVBAGLBSA-N 1 0 321.303 1.360 20 5 DDBDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000178558630 407489995 /nfs/dbraw/zinc/48/99/95/407489995.db2.gz PIEJMUAPMZUYCT-CYBMUJFWSA-N 1 0 323.397 1.276 20 5 DDBDRO C[NH+](C)[C@@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000185778374 407500313 /nfs/dbraw/zinc/50/03/13/407500313.db2.gz KZGUYKVWWGFSOU-GFCCVEGCSA-N 1 0 313.379 1.310 20 5 DDBDRO C[NH2+][C@@H]1CCCN([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000261685145 407577407 /nfs/dbraw/zinc/57/74/07/407577407.db2.gz DNJAEUCGVGOYKA-VXGBXAGGSA-N 1 0 306.366 1.606 20 5 DDBDRO Cn1ccnc1[C@H]1C[NH2+]CCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000261689186 407580793 /nfs/dbraw/zinc/58/07/93/407580793.db2.gz DXWTWMHPMNPJFK-CQSZACIVSA-N 1 0 301.350 1.475 20 5 DDBDRO COC(=O)[C@@H](C)CN(C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000114063337 407536589 /nfs/dbraw/zinc/53/65/89/407536589.db2.gz XQOHHALUYCLOSM-NSHDSACASA-N 1 0 323.349 1.583 20 5 DDBDRO CC[C@@H]1CN(c2cc(OC)ccc2[N+](=O)[O-])CC[N@@H+]1C[C@@H](C)O ZINC000266397149 407538139 /nfs/dbraw/zinc/53/81/39/407538139.db2.gz OXUDAIOITGXYOQ-CHWSQXEVSA-N 1 0 323.393 1.885 20 5 DDBDRO CC(C)C1(C)CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000186187834 407599353 /nfs/dbraw/zinc/59/93/53/407599353.db2.gz MVYIAIJHNJTFAM-CQSZACIVSA-N 1 0 310.398 1.910 20 5 DDBDRO C[C@@H]([NH3+])[C@@H]1CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000261778995 407613002 /nfs/dbraw/zinc/61/30/02/407613002.db2.gz WSBAVBLLEQVHFI-RKDXNWHRSA-N 1 0 317.342 1.092 20 5 DDBDRO NC(=O)CCC1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000271246339 407594476 /nfs/dbraw/zinc/59/44/76/407594476.db2.gz QOACMYKZJMJTRX-HNNXBMFYSA-N 1 0 321.377 1.606 20 5 DDBDRO C[NH2+]C[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000178942381 407666395 /nfs/dbraw/zinc/66/63/95/407666395.db2.gz XBDVCFKKOAKLAN-NSHDSACASA-N 1 0 313.379 1.133 20 5 DDBDRO O=C(NCC[C@H]1CC[NH2+]C1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000178946831 407667593 /nfs/dbraw/zinc/66/75/93/407667593.db2.gz HPYZLJGOQXSIMN-SECBINFHSA-N 1 0 308.294 1.232 20 5 DDBDRO Cc1ccc(CN2CC[NH2+]C[C@H]2c2nccn2C)cc1[N+](=O)[O-] ZINC000261931313 407677267 /nfs/dbraw/zinc/67/72/67/407677267.db2.gz CTIYCEXXFZNOFA-HNNXBMFYSA-N 1 0 315.377 1.783 20 5 DDBDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000115437990 407679565 /nfs/dbraw/zinc/67/95/65/407679565.db2.gz PEUCKJHWAOFQQQ-NSHDSACASA-N 1 0 306.366 1.591 20 5 DDBDRO CC(C)(C)OC(=O)C1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000266935254 407683799 /nfs/dbraw/zinc/68/37/99/407683799.db2.gz UQFXJALGLWXVJR-UHFFFAOYSA-N 1 0 324.381 1.845 20 5 DDBDRO CC(C)[C@@H]([NH3+])C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000261980902 407702072 /nfs/dbraw/zinc/70/20/72/407702072.db2.gz RIORSBAWQBHSOE-CQSZACIVSA-N 1 0 306.366 1.227 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[C@@H](OC)C[C@H]1C[NH3+] ZINC000262038365 407719554 /nfs/dbraw/zinc/71/95/54/407719554.db2.gz BOWAUCFDNVXDHN-UONOGXRCSA-N 1 0 309.366 1.542 20 5 DDBDRO Cc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc1[N+](=O)[O-] ZINC000262181173 407759431 /nfs/dbraw/zinc/75/94/31/407759431.db2.gz WRBRRBSBVDKNSR-OAHLLOKOSA-N 1 0 304.394 1.383 20 5 DDBDRO C[N@H+]1CC=C(CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000272125009 407785362 /nfs/dbraw/zinc/78/53/62/407785362.db2.gz USCZAKFHNHWPDF-UHFFFAOYSA-N 1 0 318.377 1.698 20 5 DDBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000272124843 407785539 /nfs/dbraw/zinc/78/55/39/407785539.db2.gz ACKFBYGOXNLQCR-JTQLQIEISA-N 1 0 309.370 1.131 20 5 DDBDRO C[C@H]1CCCN(C(=O)CNc2ccccc2[N+](=O)[O-])[C@@H]1C[NH3+] ZINC000237695768 407836341 /nfs/dbraw/zinc/83/63/41/407836341.db2.gz PMSRMDXEKXSURK-SMDDNHRTSA-N 1 0 306.366 1.593 20 5 DDBDRO O=[N+]([O-])c1cc(Cl)cnc1NC[C@@H](O)C[NH+]1CCCCC1 ZINC000153584880 407857854 /nfs/dbraw/zinc/85/78/54/407857854.db2.gz BEAHXVWGHZGLCV-LLVKDONJSA-N 1 0 314.773 1.902 20 5 DDBDRO O=C(CN1CC[C@H]2C[NH2+]C[C@@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000262577563 407870786 /nfs/dbraw/zinc/87/07/86/407870786.db2.gz YLAVKEZZWSJXDF-NWDGAFQWSA-N 1 0 304.350 1.075 20 5 DDBDRO CC[NH+](CC)CCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000118095388 407887100 /nfs/dbraw/zinc/88/71/00/407887100.db2.gz AZVMWKILDOOZNI-UHFFFAOYSA-N 1 0 322.365 1.300 20 5 DDBDRO C[NH+]1CCC(C)(CNC(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000272495001 407946380 /nfs/dbraw/zinc/94/63/80/407946380.db2.gz CVTYBNJNHQBVGL-UHFFFAOYSA-N 1 0 305.378 1.985 20 5 DDBDRO C[NH+](C)C[C@H]1CCCN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000268203318 407946609 /nfs/dbraw/zinc/94/66/09/407946609.db2.gz UJPZUFOVKFJFGS-LLVKDONJSA-N 1 0 322.321 1.669 20 5 DDBDRO COCC[N@H+](C)CCNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000118993930 407973653 /nfs/dbraw/zinc/97/36/53/407973653.db2.gz CRTZNJCPAXSAND-UHFFFAOYSA-N 1 0 324.381 1.015 20 5 DDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000262771287 407922264 /nfs/dbraw/zinc/92/22/64/407922264.db2.gz MDRUPCWAHUQULO-MWLCHTKSSA-N 1 0 313.379 1.180 20 5 DDBDRO CC[C@@]1(C(=O)Nc2cc(C(=O)OC)cc([N+](=O)[O-])c2)CC[NH2+]C1 ZINC000119324825 408037628 /nfs/dbraw/zinc/03/76/28/408037628.db2.gz JUKJCDIPBCBHQM-OAHLLOKOSA-N 1 0 321.333 1.710 20 5 DDBDRO C[NH+](C)C1CN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C1 ZINC000135641385 408044467 /nfs/dbraw/zinc/04/44/67/408044467.db2.gz QCZTUBJDMMFLJM-UHFFFAOYSA-N 1 0 318.377 1.581 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC000245571841 408019048 /nfs/dbraw/zinc/01/90/48/408019048.db2.gz BWRJNKKFBHSNNV-JSGCOSHPSA-N 1 0 307.350 1.257 20 5 DDBDRO C[NH2+]CC(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000263273550 408084943 /nfs/dbraw/zinc/08/49/43/408084943.db2.gz XNQPSJUTBGOSIK-UHFFFAOYSA-N 1 0 320.271 1.361 20 5 DDBDRO C[C@@](C[NH3+])(NC(=O)CCNc1ccccc1[N+](=O)[O-])C1CC1 ZINC000154836761 408091191 /nfs/dbraw/zinc/09/11/91/408091191.db2.gz NGXFJBBZDMSVNA-HNNXBMFYSA-N 1 0 306.366 1.640 20 5 DDBDRO COCC[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccco1 ZINC000273222715 408114431 /nfs/dbraw/zinc/11/44/31/408114431.db2.gz DLOAQVXIOXOFFF-OLZOCXBDSA-N 1 0 324.337 1.113 20 5 DDBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1N)C(C)(C)C[NH+](C)C ZINC000155052037 408121437 /nfs/dbraw/zinc/12/14/37/408121437.db2.gz JHPCERUUMZIOGU-JTQLQIEISA-N 1 0 308.382 1.883 20 5 DDBDRO Cn1cccc1C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000273372853 408171530 /nfs/dbraw/zinc/17/15/30/408171530.db2.gz FOAMDIWKOVPJDM-UHFFFAOYSA-N 1 0 323.374 1.497 20 5 DDBDRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000269284686 408252716 /nfs/dbraw/zinc/25/27/16/408252716.db2.gz MXPBYTSBNKWDRY-UONOGXRCSA-N 1 0 305.334 1.657 20 5 DDBDRO CC(=O)N1CC[C@H](C[N@H+](C)CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000156455135 408260555 /nfs/dbraw/zinc/26/05/55/408260555.db2.gz HQVGIXBUAWPYII-CQSZACIVSA-N 1 0 321.377 1.774 20 5 DDBDRO Cc1n[nH]c(C(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)c1[N+](=O)[O-] ZINC000269506952 408332722 /nfs/dbraw/zinc/33/27/22/408332722.db2.gz GHGOPHHIADWGQF-LBPRGKRZSA-N 1 0 323.397 1.724 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000156660351 408269216 /nfs/dbraw/zinc/26/92/16/408269216.db2.gz YUBNZKXZQOKQEE-JQWIXIFHSA-N 1 0 309.370 1.076 20 5 DDBDRO CC[C@H](CO)[NH+]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000269438933 408310456 /nfs/dbraw/zinc/31/04/56/408310456.db2.gz CZUXVKRZEGQURJ-CQSZACIVSA-N 1 0 321.377 1.052 20 5 DDBDRO C[NH2+]C[C@@H](C)CNS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000133192638 162052247 /nfs/dbraw/zinc/05/22/47/162052247.db2.gz LEIUIXLUIQCSQC-SECBINFHSA-N 1 0 315.395 1.345 20 5 DDBDRO C[NH2+]C[C@@H](C)CNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000138081703 162129184 /nfs/dbraw/zinc/12/91/84/162129184.db2.gz RSXCZYWFMLREHA-SECBINFHSA-N 1 0 301.368 1.266 20 5 DDBDRO COc1cc(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000171454558 162218805 /nfs/dbraw/zinc/21/88/05/162218805.db2.gz DUBMGPZSYOSIEV-CYBMUJFWSA-N 1 0 319.361 1.914 20 5 DDBDRO CC[N@H+](C)C[C@@H]1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269629453 408368876 /nfs/dbraw/zinc/36/88/76/408368876.db2.gz FAGUJVBMSMTZCX-BBRMVZONSA-N 1 0 307.394 1.902 20 5 DDBDRO CC[C@@H](CO)[NH+]1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000269645966 408373463 /nfs/dbraw/zinc/37/34/63/408373463.db2.gz KZSWYXZWCNFPMO-HOCLYGCPSA-N 1 0 323.393 1.017 20 5 DDBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2N)[C@H](C)C1 ZINC000176868032 408461948 /nfs/dbraw/zinc/46/19/48/408461948.db2.gz PJIQFBCQLYHMJI-YPMHNXCESA-N 1 0 320.393 1.979 20 5 DDBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC2(CC1)NC(=O)NC2=O ZINC000270555722 408577566 /nfs/dbraw/zinc/57/75/66/408577566.db2.gz VVQBYWQUZFWDCZ-SNVBAGLBSA-N 1 0 318.333 1.330 20 5 DDBDRO Cn1cc(C[NH2+]C[C@H](O)C2CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000265213156 408580294 /nfs/dbraw/zinc/58/02/94/408580294.db2.gz DSKWLCKTFQAVTF-HNNXBMFYSA-N 1 0 316.361 1.856 20 5 DDBDRO COc1cccc(C(=O)N2CCC[C@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000192501248 408599249 /nfs/dbraw/zinc/59/92/49/408599249.db2.gz YBGQMYZHAYWPRN-NSHDSACASA-N 1 0 307.350 1.770 20 5 DDBDRO CCc1ccc(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1[N+](=O)[O-] ZINC000248631604 408603595 /nfs/dbraw/zinc/60/35/95/408603595.db2.gz PEJVLHIDVPTZOP-MELADBBJSA-N 1 0 303.362 1.967 20 5 DDBDRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)COc3ccccc3[N+](=O)[O-])C[C@H]12 ZINC000248698613 408618714 /nfs/dbraw/zinc/61/87/14/408618714.db2.gz ZFGGMUVZNQRZTM-GRYCIOLGSA-N 1 0 305.334 1.169 20 5 DDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1CCC[NH2+]1 ZINC000178921905 162700940 /nfs/dbraw/zinc/70/09/40/162700940.db2.gz SCZVFZQSPLKYSU-NSHDSACASA-N 1 0 313.379 1.188 20 5 DDBDRO C[C@@H]1C[C@@H](O)C[C@H](C)[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000248886874 408653055 /nfs/dbraw/zinc/65/30/55/408653055.db2.gz AIDGIAZWFVAULW-DDFAGTSDSA-N 1 0 307.350 1.427 20 5 DDBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000184857678 408705192 /nfs/dbraw/zinc/70/51/92/408705192.db2.gz MHPIDPCBYKVJNI-NSHDSACASA-N 1 0 321.381 1.518 20 5 DDBDRO CC[C@@H]1C[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1O ZINC000270840115 408701433 /nfs/dbraw/zinc/70/14/33/408701433.db2.gz DXEKGTVXRFHTLQ-KYOSRNDESA-N 1 0 310.350 1.037 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(NC2CCN(CC[NH+](C)C)CC2)n1 ZINC000178170285 408783413 /nfs/dbraw/zinc/78/34/13/408783413.db2.gz JKMZVEXMPBJXRT-UHFFFAOYSA-N 1 0 307.398 1.736 20 5 DDBDRO COc1cc(C[NH2+][C@@H]2C[C@H]3OCCC[C@@H]23)c([N+](=O)[O-])cc1O ZINC000249769189 408765382 /nfs/dbraw/zinc/76/53/82/408765382.db2.gz JFQXKNXAVCUNMB-MISXGVKJSA-N 1 0 308.334 1.966 20 5 DDBDRO Cn1nccc1CC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000276267742 408828478 /nfs/dbraw/zinc/82/84/78/408828478.db2.gz CDETXBADKWGCRH-UHFFFAOYSA-N 1 0 315.377 1.693 20 5 DDBDRO C[N@@H+]1CC[C@H]2OCCN(C(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000285704957 408847484 /nfs/dbraw/zinc/84/74/84/408847484.db2.gz IYVGSUYMFUFCBY-ZIAGYGMSSA-N 1 0 305.334 1.140 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000285754057 408856833 /nfs/dbraw/zinc/85/68/33/408856833.db2.gz KCJBPZNPLNBSJG-AAEUAGOBSA-N 1 0 321.381 1.185 20 5 DDBDRO [NH3+]CC[C@H]1CCCN(C(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000281879895 408947095 /nfs/dbraw/zinc/94/70/95/408947095.db2.gz GALXNSXJOWADAG-GFCCVEGCSA-N 1 0 306.366 1.594 20 5 DDBDRO CCNC(=O)C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000236885772 163365953 /nfs/dbraw/zinc/36/59/53/163365953.db2.gz QZAVHAIIKMIPCB-UHFFFAOYSA-N 1 0 317.349 1.221 20 5 DDBDRO Cc1nn(Cc2ccc(C(=O)NCC[NH3+])cc2)c(C)c1[N+](=O)[O-] ZINC000237877310 163391334 /nfs/dbraw/zinc/39/13/34/163391334.db2.gz GPQRRAAOGOHQSX-UHFFFAOYSA-N 1 0 317.349 1.145 20 5 DDBDRO C[N@@H+]1CCCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CC1 ZINC000287110121 409004316 /nfs/dbraw/zinc/00/43/16/409004316.db2.gz VXFIPRICUXRIBY-UHFFFAOYSA-N 1 0 303.322 1.386 20 5 DDBDRO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000286392093 408976998 /nfs/dbraw/zinc/97/69/98/408976998.db2.gz IXYXBNLIGTXOSM-UHFFFAOYSA-N 1 0 307.354 1.408 20 5 DDBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000286647702 408992176 /nfs/dbraw/zinc/99/21/76/408992176.db2.gz BOHVDUBEHJGORS-NHYWBVRUSA-N 1 0 318.377 1.876 20 5 DDBDRO CCOc1cc(C[N@H+](CC)CCOCCO)ccc1[N+](=O)[O-] ZINC000282185875 409007344 /nfs/dbraw/zinc/00/73/44/409007344.db2.gz WDSBZFIPXGASIR-UHFFFAOYSA-N 1 0 312.366 1.824 20 5 DDBDRO Cc1cc(OCC(=O)NC[C@@H]2CC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000280410254 409307838 /nfs/dbraw/zinc/30/78/38/409307838.db2.gz AUNVCCRQXZPVQZ-LBPRGKRZSA-N 1 0 307.350 1.350 20 5 DDBDRO CC[C@H]([NH3+])CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000295186036 409362528 /nfs/dbraw/zinc/36/25/28/409362528.db2.gz IFWVLEFWBYCBDA-NSHDSACASA-N 1 0 303.322 1.248 20 5 DDBDRO C[N@@H+]1CCO[C@H]2CCN(c3ccc([N+](=O)[O-])c(N)c3F)C[C@@H]21 ZINC000285018801 409394444 /nfs/dbraw/zinc/39/44/44/409394444.db2.gz MRVRPDUFEFIHCA-RYUDHWBXSA-N 1 0 310.329 1.225 20 5 DDBDRO C[C@@]1(C(N)=O)CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000280684776 409408114 /nfs/dbraw/zinc/40/81/14/409408114.db2.gz HALQIVSWMVINKV-OAHLLOKOSA-N 1 0 320.349 1.121 20 5 DDBDRO Cc1c(NC(=O)CC[N@@H+](C)C2(CO)CC2)cccc1[N+](=O)[O-] ZINC000285384092 409421095 /nfs/dbraw/zinc/42/10/95/409421095.db2.gz CZVJQRXTKXGIEX-UHFFFAOYSA-N 1 0 307.350 1.689 20 5 DDBDRO CC(C)N(CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1COC1 ZINC000295319558 409433394 /nfs/dbraw/zinc/43/33/94/409433394.db2.gz GQQLWIGWIJBWOO-UHFFFAOYSA-N 1 0 319.361 1.593 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](C)CCC[NH3+] ZINC000313820164 164011411 /nfs/dbraw/zinc/01/14/11/164011411.db2.gz KKORZNLXBAFDGE-SECBINFHSA-N 1 0 317.367 1.009 20 5 DDBDRO Nc1ccc(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000317235061 164027247 /nfs/dbraw/zinc/02/72/47/164027247.db2.gz LOVKYIJEMQTMMS-NWDGAFQWSA-N 1 0 304.350 1.534 20 5 DDBDRO CNC(=O)c1ccc(N2CC[N@H+](C)CC[C@H]2C)c([N+](=O)[O-])c1 ZINC000354079115 409636334 /nfs/dbraw/zinc/63/63/34/409636334.db2.gz CGFQSLWDYSOOCC-LLVKDONJSA-N 1 0 306.366 1.485 20 5 DDBDRO C[N@H+](CC[C@H]1CCCO1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000342602194 409757032 /nfs/dbraw/zinc/75/70/32/409757032.db2.gz LWWGOVZWSFESCM-ZIAGYGMSSA-N 1 0 324.377 1.835 20 5 DDBDRO [NH3+][C@H]1CCCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000346107431 409790628 /nfs/dbraw/zinc/79/06/28/409790628.db2.gz ZIBJCZVGQVFUPI-NSHDSACASA-N 1 0 303.322 1.568 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000313353944 409806472 /nfs/dbraw/zinc/80/64/72/409806472.db2.gz MNIKOGGIGBCMBD-OAHLLOKOSA-N 1 0 314.345 1.720 20 5 DDBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000354441807 409858512 /nfs/dbraw/zinc/85/85/12/409858512.db2.gz WXDPGXVXYTWESE-RYUDHWBXSA-N 1 0 309.370 1.123 20 5 DDBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCS(=O)(=O)C1 ZINC000354450205 409863552 /nfs/dbraw/zinc/86/35/52/409863552.db2.gz JXTMVVOUERYFPW-ZDUSSCGKSA-N 1 0 312.391 1.504 20 5 DDBDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)c2nn(C)cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000346254945 409878021 /nfs/dbraw/zinc/87/80/21/409878021.db2.gz HSTLVKNXIPQTTC-SRVKXCTJSA-N 1 0 321.381 1.131 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(Cc2noc([C@H]3CC[N@H+](C)C3)n2)c1 ZINC000350277002 409937026 /nfs/dbraw/zinc/93/70/26/409937026.db2.gz QSJVBQPPPVXNMJ-JTQLQIEISA-N 1 0 318.333 1.996 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC3(CCC3)[C@@H]2C2CC2)c1 ZINC000357457083 410051012 /nfs/dbraw/zinc/05/10/12/410051012.db2.gz VAALKWLSJYAIDC-KGLIPLIRSA-N 1 0 306.366 1.417 20 5 DDBDRO [NH3+][C@@H]1CCC[C@H]2CN(c3ccc4ncc([N+](=O)[O-])n4n3)C[C@@H]21 ZINC000571423404 304460878 /nfs/dbraw/zinc/46/08/78/304460878.db2.gz SKPHKPNRBWVQNX-GARJFASQSA-N 1 0 302.338 1.201 20 5 DDBDRO CC(C)(C)C1=CC[N@H+](CCNC(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000354920200 410172982 /nfs/dbraw/zinc/17/29/82/410172982.db2.gz XIOAKYIJVPREQO-UHFFFAOYSA-N 1 0 321.381 1.726 20 5 DDBDRO C[C@H]1CCC[N@H+](CCNC(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000343161009 410196255 /nfs/dbraw/zinc/19/62/55/410196255.db2.gz ARDURVMAHMORDV-ZDUSSCGKSA-N 1 0 305.378 1.985 20 5 DDBDRO C[C@@H]1CN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@@H](C)[NH+]1C ZINC000339616196 410330620 /nfs/dbraw/zinc/33/06/20/410330620.db2.gz YRGMMGYWMMWTJV-CHWSQXEVSA-N 1 0 320.393 1.582 20 5 DDBDRO Cc1ccc(C[NH2+]C(C)(C)CS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000358251512 410419359 /nfs/dbraw/zinc/41/93/59/410419359.db2.gz CBYFPYYYOSHWMN-UHFFFAOYSA-N 1 0 300.380 1.816 20 5 DDBDRO Cc1ccc([C@H](C)[NH2+]C[C@H](C)S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000358261602 410425297 /nfs/dbraw/zinc/42/52/97/410425297.db2.gz YPNBANBJPROIGD-QWRGUYRKSA-N 1 0 300.380 1.987 20 5 DDBDRO CC[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)C1CCOCC1 ZINC000343432362 410448091 /nfs/dbraw/zinc/44/80/91/410448091.db2.gz SIUMICXSHNQDRV-AWEZNQCLSA-N 1 0 309.366 1.551 20 5 DDBDRO CO[C@H]1CCN(CCOc2ccc([N+](=O)[O-])cc2)[C@H](C[NH3+])C1 ZINC000359048196 410549864 /nfs/dbraw/zinc/54/98/64/410549864.db2.gz VIUKLIRXIZQZDM-ZFWWWQNUSA-N 1 0 309.366 1.412 20 5 DDBDRO C[N@@H+]1CCC[C@@H](N2CCN(c3ccc([N+](=O)[O-])cn3)CC2)C1 ZINC000301304598 410696318 /nfs/dbraw/zinc/69/63/18/410696318.db2.gz TWCAOSZMGJVBRK-CQSZACIVSA-N 1 0 305.382 1.206 20 5 DDBDRO CCOc1cc(N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000301507761 410731490 /nfs/dbraw/zinc/73/14/90/410731490.db2.gz HMLKTWVJQWVXJL-QWHCGFSZSA-N 1 0 323.393 1.885 20 5 DDBDRO COCC[N@@H+]1CC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2OC)C1 ZINC000355824087 410688285 /nfs/dbraw/zinc/68/82/85/410688285.db2.gz GSTXLWVEXGRNQB-LLVKDONJSA-N 1 0 323.349 1.054 20 5 DDBDRO CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000353145037 410812343 /nfs/dbraw/zinc/81/23/43/410812343.db2.gz JHCYICZQIJQXKF-CABCVRRESA-N 1 0 320.393 1.757 20 5 DDBDRO CC(C)[C@H](C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)[NH+](C)C ZINC000348195208 410849571 /nfs/dbraw/zinc/84/95/71/410849571.db2.gz LJOHLCBDJUVMDP-OAHLLOKOSA-N 1 0 321.377 1.771 20 5 DDBDRO COc1cc(C(=O)N(CC[NH+](C)C)C2CC2)ccc1[N+](=O)[O-] ZINC000356273073 410936359 /nfs/dbraw/zinc/93/63/59/410936359.db2.gz DNNNAFDATRQNEK-UHFFFAOYSA-N 1 0 307.350 1.770 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000344068249 410934260 /nfs/dbraw/zinc/93/42/60/410934260.db2.gz QIRRRIFZUGCELZ-JLNYLFASSA-N 1 0 322.361 1.037 20 5 DDBDRO CCCc1n[nH]c(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000348517845 410994582 /nfs/dbraw/zinc/99/45/82/410994582.db2.gz YSFNXIDFZDVPPO-LLVKDONJSA-N 1 0 321.381 1.579 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C1CCN(C(N)=O)CC1 ZINC000344205588 411027463 /nfs/dbraw/zinc/02/74/63/411027463.db2.gz CXVHSCGNBXNKEY-UHFFFAOYSA-N 1 0 308.338 1.236 20 5 DDBDRO [NH3+]C[C@@H]1CCCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000580328810 422921244 /nfs/dbraw/zinc/92/12/44/422921244.db2.gz IYMWHKGOQVEIGE-LBPRGKRZSA-N 1 0 318.377 1.155 20 5 DDBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@@H]2C[C@@H](O)C2(C)C)cccc1[N+](=O)[O-] ZINC000580446427 422933590 /nfs/dbraw/zinc/93/35/90/422933590.db2.gz LDMKTLBFGMTLTP-ZLKJLUDKSA-N 1 0 321.377 1.979 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000132307094 196244447 /nfs/dbraw/zinc/24/44/47/196244447.db2.gz VGFZLXKIPBNYBW-UHFFFAOYSA-N 1 0 323.397 1.522 20 5 DDBDRO CC1(C)C[C@@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C(C)(C)O1 ZINC000132618159 196270597 /nfs/dbraw/zinc/27/05/97/196270597.db2.gz ZQMSTLSGPYAFRJ-VXGBXAGGSA-N 1 0 312.370 1.088 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000415573003 224656890 /nfs/dbraw/zinc/65/68/90/224656890.db2.gz BUNXSUPQULROAI-NSHDSACASA-N 1 0 308.338 1.403 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@H]([NH3+])C(C)C ZINC000417167899 225231333 /nfs/dbraw/zinc/23/13/33/225231333.db2.gz AACWFBYSKAZPKH-LBPRGKRZSA-N 1 0 310.354 1.386 20 5 DDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000417773176 225434276 /nfs/dbraw/zinc/43/42/76/225434276.db2.gz WLUKYKZDEKWPBX-KBPBESRZSA-N 1 0 318.377 1.388 20 5 DDBDRO O=C(NC1CC[NH2+]CC1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000418306986 225673793 /nfs/dbraw/zinc/67/37/93/225673793.db2.gz LAKHUDYQEMNYRO-UHFFFAOYSA-N 1 0 320.349 1.119 20 5 DDBDRO Cn1ccnc1[C@@H](N[C@@H]1CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000423178630 227391146 /nfs/dbraw/zinc/39/11/46/227391146.db2.gz CGLWDTBKRYKZDT-HIFRSBDPSA-N 1 0 315.377 1.759 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000194923770 418550047 /nfs/dbraw/zinc/55/00/47/418550047.db2.gz VSIVQVZQJVIWIY-UHFFFAOYSA-N 1 0 321.381 1.090 20 5 DDBDRO Cc1cc(N2CCN(C(=O)C[NH+](C)C)CC2)c(F)cc1[N+](=O)[O-] ZINC000290902787 222006606 /nfs/dbraw/zinc/00/66/06/222006606.db2.gz FHKRPLGUAWMEAH-UHFFFAOYSA-N 1 0 324.356 1.253 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H](CC(C)C)[NH+](C)C)n1 ZINC000191813192 222110176 /nfs/dbraw/zinc/11/01/76/222110176.db2.gz NVEQGJYPGPGFEA-LLVKDONJSA-N 1 0 311.386 1.517 20 5 DDBDRO CC1(C)[C@@H](O)CC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000361403211 418645902 /nfs/dbraw/zinc/64/59/02/418645902.db2.gz NFYCZFSURSATDG-OCCSQVGLSA-N 1 0 310.350 1.180 20 5 DDBDRO C[C@@H](CO)[N@@H+]1CCCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000375501772 418649960 /nfs/dbraw/zinc/64/99/60/418649960.db2.gz OBACNHVLBCEETH-AWEZNQCLSA-N 1 0 307.394 1.526 20 5 DDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC000367648133 418619538 /nfs/dbraw/zinc/61/95/38/418619538.db2.gz FPEZHUNUGVHGIS-UHFFFAOYSA-N 1 0 318.377 1.783 20 5 DDBDRO CC(C)(C)[C@H]1CCC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000361541721 418674246 /nfs/dbraw/zinc/67/42/46/418674246.db2.gz SBZNMBKUDJMXJB-GXTWGEPZSA-N 1 0 310.398 1.910 20 5 DDBDRO C[C@@H]1C[C@H](CNC(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000370990175 418754966 /nfs/dbraw/zinc/75/49/66/418754966.db2.gz BZKUJDSQYWJIFQ-MIGQKNRLSA-N 1 0 317.389 1.678 20 5 DDBDRO C[C@@H]1CN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)[C@@H](C)C[N@@H+]1C ZINC000408106244 418788799 /nfs/dbraw/zinc/78/87/99/418788799.db2.gz XBISAYXQOTZOKR-ZJUUUORDSA-N 1 0 317.349 1.772 20 5 DDBDRO O=C(NCCC[NH2+]C1CC1)NCCc1cccc([N+](=O)[O-])c1 ZINC000417944601 419408872 /nfs/dbraw/zinc/40/88/72/419408872.db2.gz PNXKJWPTYYZTQZ-UHFFFAOYSA-N 1 0 306.366 1.579 20 5 DDBDRO COC(=O)[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2)CC[N@H+](C)C1 ZINC000411906157 419463922 /nfs/dbraw/zinc/46/39/22/419463922.db2.gz NMPRTDKMENSEHL-CYBMUJFWSA-N 1 0 307.350 1.131 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](CO)[C@@H]1CCCOC1 ZINC000411983752 419543244 /nfs/dbraw/zinc/54/32/44/419543244.db2.gz GKXWJNAINXSZHY-TZMCWYRMSA-N 1 0 310.350 1.481 20 5 DDBDRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1Cc1ccc([N+](=O)[O-])cc1F ZINC000418118630 419545577 /nfs/dbraw/zinc/54/55/77/419545577.db2.gz TVCCGWBNOQIJHB-RYUDHWBXSA-N 1 0 311.357 1.621 20 5 DDBDRO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)[C@@H](C)C[N@@H+]1CCO ZINC000418118624 419548020 /nfs/dbraw/zinc/54/80/20/419548020.db2.gz TVCCGWBNOQIJHB-NEPJUHHUSA-N 1 0 311.357 1.621 20 5 DDBDRO Cc1c(CNC(=O)N[C@H]2CCC[C@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000418081438 419516393 /nfs/dbraw/zinc/51/63/93/419516393.db2.gz ODOFUCBAPAIKRH-STQMWFEESA-N 1 0 306.366 1.972 20 5 DDBDRO C[C@@H]1[C@H](CO)CCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000412061856 419608903 /nfs/dbraw/zinc/60/89/03/419608903.db2.gz AKLXPLBKYVCOIC-HZSPNIEDSA-N 1 0 324.377 1.427 20 5 DDBDRO C[C@H]1[C@H](CO)CCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000412079904 419631423 /nfs/dbraw/zinc/63/14/23/419631423.db2.gz LKJRHFUZRYJXID-GWCFXTLKSA-N 1 0 307.350 1.287 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC[N@H+](CC)C2)n1 ZINC000427468312 419665086 /nfs/dbraw/zinc/66/50/86/419665086.db2.gz BGVXPIBDPLHFAU-NSHDSACASA-N 1 0 309.370 1.273 20 5 DDBDRO C[NH2+]CCCNC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000418282161 419672877 /nfs/dbraw/zinc/67/28/77/419672877.db2.gz WVFVTMVKHFIIKU-UHFFFAOYSA-N 1 0 321.381 1.036 20 5 DDBDRO C[NH+](C)C[C@@H]1CN(c2ccc([N+](=O)[O-])c3ncccc23)CCO1 ZINC000413132350 419770167 /nfs/dbraw/zinc/77/01/67/419770167.db2.gz UAPVZYUPQLPEIK-GFCCVEGCSA-N 1 0 316.361 1.910 20 5 DDBDRO COCC[C@@]1(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)CC[NH2+]C1 ZINC000429984616 228863585 /nfs/dbraw/zinc/86/35/85/228863585.db2.gz NEWUPBFNEHRGBZ-WBMJQRKESA-N 1 0 321.377 1.788 20 5 DDBDRO COC[C@]1(CNC/C=C/c2ccccc2[N+](=O)[O-])CCC[NH2+]1 ZINC000414945943 419887417 /nfs/dbraw/zinc/88/74/17/419887417.db2.gz RORGJJMGLKWGMW-IEXSPKMKSA-N 1 0 305.378 1.966 20 5 DDBDRO COc1cc(CNCCC[NH2+]C2CC2)c([N+](=O)[O-])cc1OC ZINC000415065266 419928987 /nfs/dbraw/zinc/92/89/87/419928987.db2.gz FTIPGYUWKSBRSM-UHFFFAOYSA-N 1 0 309.366 1.844 20 5 DDBDRO C[C@@H](CCC[NH3+])NC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000418687479 419934142 /nfs/dbraw/zinc/93/41/42/419934142.db2.gz MBWGYOBTVSYPJS-NSHDSACASA-N 1 0 322.365 1.495 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000429181752 419983872 /nfs/dbraw/zinc/98/38/72/419983872.db2.gz BDRJLVNPKOMQNT-PWSUYJOCSA-N 1 0 309.370 1.076 20 5 DDBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000418803088 419987221 /nfs/dbraw/zinc/98/72/21/419987221.db2.gz YOWRGFQFXHDLHS-KBPBESRZSA-N 1 0 320.393 1.906 20 5 DDBDRO C[NH+](C)C1(CNc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000419001271 420042416 /nfs/dbraw/zinc/04/24/16/420042416.db2.gz ADPYWUWKZBDBJC-UHFFFAOYSA-N 1 0 303.322 2.151 20 5 DDBDRO COc1ccc(NC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)cc1[N+](=O)[O-] ZINC000415428631 420061512 /nfs/dbraw/zinc/06/15/12/420061512.db2.gz AJJBMAINQKLWMJ-SKDRFNHKSA-N 1 0 306.322 1.429 20 5 DDBDRO CNC(=O)[C@]1(C)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430285043 420102077 /nfs/dbraw/zinc/10/20/77/420102077.db2.gz QHLGQCIPZHWLAN-OAHLLOKOSA-N 1 0 307.350 1.561 20 5 DDBDRO COc1cccc(C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC000423637496 420107959 /nfs/dbraw/zinc/10/79/59/420107959.db2.gz HHJCCFJRHJBSNU-MRXNPFEDSA-N 1 0 319.361 1.819 20 5 DDBDRO CC(C)c1ccc(C(=O)NC[C@H]2C[NH2+]CCN2C)cc1[N+](=O)[O-] ZINC000423693735 420129734 /nfs/dbraw/zinc/12/97/34/420129734.db2.gz AAPBGDJJHOZMDA-CYBMUJFWSA-N 1 0 320.393 1.352 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000415657283 420136971 /nfs/dbraw/zinc/13/69/71/420136971.db2.gz MBHJTUHMIAMAOZ-JTQLQIEISA-N 1 0 308.338 1.867 20 5 DDBDRO [NH3+]C[C@H]1CCCN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000430562904 420139733 /nfs/dbraw/zinc/13/97/33/420139733.db2.gz SRFNUSHTTYFCKN-GFCCVEGCSA-N 1 0 303.322 1.568 20 5 DDBDRO CO[C@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)[C@H](C[NH3+])C1 ZINC000415448122 420070614 /nfs/dbraw/zinc/07/06/14/420070614.db2.gz XLMRGZJIOPNYGB-STQMWFEESA-N 1 0 322.365 1.873 20 5 DDBDRO COc1cc(C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)cc([N+](=O)[O-])c1C ZINC000423560579 420080947 /nfs/dbraw/zinc/08/09/47/420080947.db2.gz VBXXLLHXPVGBAU-CABZTGNLSA-N 1 0 307.350 1.640 20 5 DDBDRO C[C@H]1CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC[NH2+]1 ZINC000420296132 420188903 /nfs/dbraw/zinc/18/89/03/420188903.db2.gz PXOOESBTJJUGCI-VIFPVBQESA-N 1 0 312.757 1.480 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430927412 420208364 /nfs/dbraw/zinc/20/83/64/420208364.db2.gz QKVINQKTRMKWJZ-ZYHUDNBSSA-N 1 0 322.365 1.211 20 5 DDBDRO [NH3+][C@@H](C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000423826746 420211016 /nfs/dbraw/zinc/21/10/16/420211016.db2.gz MSRWYWCTVDMZOV-OAHLLOKOSA-N 1 0 312.329 1.575 20 5 DDBDRO C[NH2+]C[C@H]1CCCN(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000430619035 420159898 /nfs/dbraw/zinc/15/98/98/420159898.db2.gz YQJZWUCXBAJKAB-CYBMUJFWSA-N 1 0 320.393 1.773 20 5 DDBDRO Cc1c(NC(=O)CCN2CC[C@@H]3C[NH2+]C[C@@H]32)cccc1[N+](=O)[O-] ZINC000420344082 420222885 /nfs/dbraw/zinc/22/28/85/420222885.db2.gz RZAFVSFNAXPKSM-DOMZBBRYSA-N 1 0 318.377 1.526 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC([C@@H](C)[NH3+])CC1 ZINC000430968651 420228873 /nfs/dbraw/zinc/22/88/73/420228873.db2.gz ZBPRHLPXLTZDCY-GFCCVEGCSA-N 1 0 320.393 1.901 20 5 DDBDRO C[NH2+]C1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000430973480 420230228 /nfs/dbraw/zinc/23/02/28/420230228.db2.gz XLOHXYTZLNRTDS-UHFFFAOYSA-N 1 0 317.349 1.829 20 5 DDBDRO CN(C(=O)CN[C@H](C[NH3+])C(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000420359719 420234577 /nfs/dbraw/zinc/23/45/77/420234577.db2.gz KFEWDEOAXNNFLU-CYBMUJFWSA-N 1 0 308.382 1.521 20 5 DDBDRO [NH3+][C@H](CC1CCCCC1)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000423891136 420245812 /nfs/dbraw/zinc/24/58/12/420245812.db2.gz BGGCRLQQTCXASO-CYBMUJFWSA-N 1 0 309.370 1.205 20 5 DDBDRO C[NH+](C)C[C@@H](O)CN[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433124558 420248873 /nfs/dbraw/zinc/24/88/73/420248873.db2.gz DFUFHWRUKBKWQV-WFASDCNBSA-N 1 0 307.394 1.829 20 5 DDBDRO C[NH2+]CCCN(C)S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000420471011 420306834 /nfs/dbraw/zinc/30/68/34/420306834.db2.gz OWNJCPKTURGPLM-UHFFFAOYSA-N 1 0 315.395 1.442 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N(C)[C@@H](C)C[NH3+])c1 ZINC000420457972 420299795 /nfs/dbraw/zinc/29/97/95/420299795.db2.gz PJYCWPKZVIZIJI-VIFPVBQESA-N 1 0 301.368 1.179 20 5 DDBDRO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000424011867 420304752 /nfs/dbraw/zinc/30/47/52/420304752.db2.gz ZJOCKNCJZXYHDD-LBPRGKRZSA-N 1 0 301.306 1.105 20 5 DDBDRO CC(C)[C@H]1C[N@H+](C)CCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000425482002 420395587 /nfs/dbraw/zinc/39/55/87/420395587.db2.gz QOPBZUXPMDCMDY-CQSZACIVSA-N 1 0 308.382 1.029 20 5 DDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000417758694 420469644 /nfs/dbraw/zinc/46/96/44/420469644.db2.gz CPLJXBIZLMORIY-AWEZNQCLSA-N 1 0 318.377 1.673 20 5 DDBDRO CCC[N@@H+]1CC[C@H](CNc2cccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000439107429 420480524 /nfs/dbraw/zinc/48/05/24/420480524.db2.gz LVLIBERHULWRML-LLVKDONJSA-N 1 0 306.366 1.838 20 5 DDBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000450619109 420499507 /nfs/dbraw/zinc/49/95/07/420499507.db2.gz UJAOLWPIBIHIGE-GFCCVEGCSA-N 1 0 311.386 1.378 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@@H](C[NH3+])C[C@@H]1C ZINC000442755891 420707159 /nfs/dbraw/zinc/70/71/59/420707159.db2.gz JNCUANNMBPDUTE-NWDGAFQWSA-N 1 0 306.366 1.511 20 5 DDBDRO CC1(C)C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000447871588 420808750 /nfs/dbraw/zinc/80/87/50/420808750.db2.gz LGEIZJGWYHECBI-CYBMUJFWSA-N 1 0 307.350 1.626 20 5 DDBDRO CNc1nc(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)ccc1[N+](=O)[O-] ZINC000454747710 420919131 /nfs/dbraw/zinc/91/91/31/420919131.db2.gz CAXAUMQMJWENAA-JQWIXIFHSA-N 1 0 319.365 1.388 20 5 DDBDRO COCCNC(=O)C1([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000459759658 420866982 /nfs/dbraw/zinc/86/69/82/420866982.db2.gz RNLPLMDQEPHTOB-GQCTYLIASA-N 1 0 319.361 1.493 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2C[C@@H]3C[C@H]2CS3)c1 ZINC000459784535 420872901 /nfs/dbraw/zinc/87/29/01/420872901.db2.gz ACAXREOGHXPCAM-OBJOEFQTSA-N 1 0 310.375 1.524 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](CO)C1CCOCC1 ZINC000449232684 420973589 /nfs/dbraw/zinc/97/35/89/420973589.db2.gz ITOXGHVTTZUEHD-IUODEOHRSA-N 1 0 308.378 1.903 20 5 DDBDRO COC[C@@]1(CO)CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000449696755 421061566 /nfs/dbraw/zinc/06/15/66/421061566.db2.gz LDYWPVXYQBURSA-LEXSJLIMSA-N 1 0 306.362 1.939 20 5 DDBDRO CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(NC)n2)C1 ZINC000455480939 421021660 /nfs/dbraw/zinc/02/16/60/421021660.db2.gz QNMQDQJNUZWJNU-SNVBAGLBSA-N 1 0 307.354 1.246 20 5 DDBDRO CNc1nc(C(=O)NC(C)(C)CCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000456182112 421115164 /nfs/dbraw/zinc/11/51/64/421115164.db2.gz DUGSZUYWSYTJHV-UHFFFAOYSA-N 1 0 323.397 1.882 20 5 DDBDRO C[C@@]1(CO)CCC[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000545396209 421256249 /nfs/dbraw/zinc/25/62/49/421256249.db2.gz BSJYGZDLRXBXRY-HNNXBMFYSA-N 1 0 318.333 1.992 20 5 DDBDRO C[C@@H]1CC[N@H+](CCNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000524775294 421271815 /nfs/dbraw/zinc/27/18/15/421271815.db2.gz DJGNFEGJRVSCJP-SECBINFHSA-N 1 0 310.329 1.388 20 5 DDBDRO C[NH2+]C[C@@H](C)CNc1ccc([N+](=O)[O-])cc1N1CCOC1=O ZINC000496997207 421349686 /nfs/dbraw/zinc/34/96/86/421349686.db2.gz ADMUQBJMWQQRRK-SNVBAGLBSA-N 1 0 308.338 1.819 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccccc1C[NH+](C)C ZINC000561303837 421321226 /nfs/dbraw/zinc/32/12/26/421321226.db2.gz GINCJWOLTBBELJ-UHFFFAOYSA-N 1 0 317.349 1.800 20 5 DDBDRO CNc1nccc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000563547529 421520618 /nfs/dbraw/zinc/52/06/18/421520618.db2.gz VNYFWYKXLQCKLU-MNOVXSKESA-N 1 0 321.381 1.586 20 5 DDBDRO C[N@@H+]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1(C)C ZINC000551040238 421526644 /nfs/dbraw/zinc/52/66/44/421526644.db2.gz CPVGZHLVSLGKFJ-UHFFFAOYSA-N 1 0 306.366 1.220 20 5 DDBDRO Cc1cnc(N2CCC[C@@H]([NH+]3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000563424078 421507458 /nfs/dbraw/zinc/50/74/58/421507458.db2.gz QLJLBPAMQRVKFF-CQSZACIVSA-N 1 0 320.393 1.989 20 5 DDBDRO CC1(C)C[NH2+]CC[C@H]1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000517071524 421593823 /nfs/dbraw/zinc/59/38/23/421593823.db2.gz MXZQZHUXLINLGF-CYBMUJFWSA-N 1 0 321.333 1.441 20 5 DDBDRO Cc1ncsc1C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000516175121 421531081 /nfs/dbraw/zinc/53/10/81/421531081.db2.gz DZGXWEWBJGTZEJ-LLVKDONJSA-N 1 0 323.374 1.889 20 5 DDBDRO COc1ccc(CC(=O)N[C@H](C)C[N@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000518454231 421653244 /nfs/dbraw/zinc/65/32/44/421653244.db2.gz ZSDIMKXQFQKWIE-GFCCVEGCSA-N 1 0 323.393 1.991 20 5 DDBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000565726637 421599501 /nfs/dbraw/zinc/59/95/01/421599501.db2.gz PXGFYAPSGWAFCG-JTQLQIEISA-N 1 0 309.370 1.422 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@H]2CCC[C@H](CO)C2)c1 ZINC000571524369 421723440 /nfs/dbraw/zinc/72/34/40/421723440.db2.gz YMALGZUYBKYVBG-KCQAQPDRSA-N 1 0 324.377 1.475 20 5 DDBDRO Cc1nn(C)c(N2CCC[C@H]([NH+]3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000571581005 421728705 /nfs/dbraw/zinc/72/87/05/421728705.db2.gz GJTXWNQPDLWFPG-ZDUSSCGKSA-N 1 0 323.397 1.328 20 5 DDBDRO C[C@H]([NH2+]C1CC1)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000520578172 421757031 /nfs/dbraw/zinc/75/70/31/421757031.db2.gz XSNLUKSWYICQGY-JTQLQIEISA-N 1 0 307.354 1.095 20 5 DDBDRO CC(C)OC(=O)CC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000572195076 421768394 /nfs/dbraw/zinc/76/83/94/421768394.db2.gz ACGVJYQRNVFOJE-UHFFFAOYSA-N 1 0 323.349 1.855 20 5 DDBDRO C[C@H](c1ccccc1)[C@H](O)C[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000574912019 422213519 /nfs/dbraw/zinc/21/35/19/422213519.db2.gz MIOLFICQGGIFCV-IUODEOHRSA-N 1 0 304.350 1.546 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@H]([NH3+])C[C@H]1C ZINC000584180617 422276866 /nfs/dbraw/zinc/27/68/66/422276866.db2.gz WKLPAHMINBSXIB-NEPJUHHUSA-N 1 0 306.366 1.653 20 5 DDBDRO CC(C)[NH2+][C@H]1CCCN(C(=O)c2ccnc(N)c2[N+](=O)[O-])C1 ZINC000594419937 422347746 /nfs/dbraw/zinc/34/77/46/422347746.db2.gz GFPUXGJLNKKTHR-JTQLQIEISA-N 1 0 307.354 1.175 20 5 DDBDRO Cc1c(C[NH3+])c(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)nn1C ZINC000595961047 422359391 /nfs/dbraw/zinc/35/93/91/422359391.db2.gz ILODEDPCTWBLHD-UHFFFAOYSA-N 1 0 303.322 1.656 20 5 DDBDRO CC(C)[C@@H](CNc1ccc2ncc([N+](=O)[O-])n2n1)[NH+]1CCCC1 ZINC000596070507 422363401 /nfs/dbraw/zinc/36/34/01/422363401.db2.gz QILGXPPFOQMSIV-GFCCVEGCSA-N 1 0 318.381 2.170 20 5 DDBDRO Nc1ccc(NCC[N@@H+]2CCc3sccc3C2)nc1[N+](=O)[O-] ZINC000596086799 422365508 /nfs/dbraw/zinc/36/55/08/422365508.db2.gz BMVWGJGDXZQPSA-UHFFFAOYSA-N 1 0 319.390 2.104 20 5 DDBDRO COCC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])c(OC(C)C)n2)C1 ZINC000576767206 422378138 /nfs/dbraw/zinc/37/81/38/422378138.db2.gz IADUOLKKZAONQL-GFCCVEGCSA-N 1 0 324.381 1.910 20 5 DDBDRO CC(C)(C)C1=CC[N@H+](CCNc2ncc([N+](=O)[O-])cn2)CC1 ZINC000591161786 422325264 /nfs/dbraw/zinc/32/52/64/422325264.db2.gz GCFHRIBNUJQJJZ-UHFFFAOYSA-N 1 0 305.382 2.475 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000578100575 422498793 /nfs/dbraw/zinc/49/87/93/422498793.db2.gz SPQQVRIWSJLROJ-QWHCGFSZSA-N 1 0 321.381 1.185 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000341682531 271167086 /nfs/dbraw/zinc/16/70/86/271167086.db2.gz CRDNIDLTWVSBOY-KBPBESRZSA-N 1 0 321.377 1.505 20 5 DDBDRO CSCC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)N(C)C ZINC000342294591 271370021 /nfs/dbraw/zinc/37/00/21/271370021.db2.gz QJKPMNPPCFZNRR-ZDUSSCGKSA-N 1 0 311.407 1.894 20 5 DDBDRO COc1ccc(C[NH2+]C[C@H](CO)c2cccnc2)cc1[N+](=O)[O-] ZINC000342313447 271372966 /nfs/dbraw/zinc/37/29/66/271372966.db2.gz XGZZMHQUNMFDSZ-CQSZACIVSA-N 1 0 317.345 1.864 20 5 DDBDRO COC(=O)c1cc(C)nc(N[C@H]2CCC[C@@H]2[NH+](C)C)c1[N+](=O)[O-] ZINC000342999350 271607984 /nfs/dbraw/zinc/60/79/84/271607984.db2.gz YZCYHXPLAOJDSU-RYUDHWBXSA-N 1 0 322.365 1.979 20 5 DDBDRO COCCN(CC[NH+](C)C)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344273671 271987331 /nfs/dbraw/zinc/98/73/31/271987331.db2.gz LUCQQMHCSANWFN-UHFFFAOYSA-N 1 0 313.329 1.384 20 5 DDBDRO CC[NH+]1CCN([C@H]2CCN(c3ccc([N+](=O)[O-])nc3)C2)CC1 ZINC000344409671 272017877 /nfs/dbraw/zinc/01/78/77/272017877.db2.gz ABZIDKBACRDFQP-AWEZNQCLSA-N 1 0 305.382 1.206 20 5 DDBDRO [NH3+][C@@H](CC(F)F)C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000345747589 272322995 /nfs/dbraw/zinc/32/29/95/272322995.db2.gz AVIZUDLMJVNHOT-JTQLQIEISA-N 1 0 302.281 1.105 20 5 DDBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)CCn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000345933152 272369004 /nfs/dbraw/zinc/36/90/04/272369004.db2.gz AJOUXZLKUHILBL-VXGBXAGGSA-N 1 0 309.370 1.123 20 5 DDBDRO CC[N@@H+]1CCCN(c2ccc(C(=O)NC)cc2[N+](=O)[O-])CC1 ZINC000264788961 276165010 /nfs/dbraw/zinc/16/50/10/276165010.db2.gz RXLOFRPSABKZOX-UHFFFAOYSA-N 1 0 306.366 1.486 20 5 DDBDRO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000181151825 276181294 /nfs/dbraw/zinc/18/12/94/276181294.db2.gz KJFQPMGMTFAQBS-NSHDSACASA-N 1 0 306.366 1.733 20 5 DDBDRO CCCNC(=O)C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447517673 276264717 /nfs/dbraw/zinc/26/47/17/276264717.db2.gz LWZUVJXAYLCMCZ-NEPJUHHUSA-N 1 0 309.370 1.391 20 5 DDBDRO CC[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000112926984 276305573 /nfs/dbraw/zinc/30/55/73/276305573.db2.gz FBELEGJZMGOCDK-UHFFFAOYSA-N 1 0 320.393 1.877 20 5 DDBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000299289171 277064381 /nfs/dbraw/zinc/06/43/81/277064381.db2.gz PDDYQCIPQLDCLJ-SNVBAGLBSA-N 1 0 321.333 1.190 20 5 DDBDRO C[NH2+]C[C@@H]1CCCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000430596445 277278513 /nfs/dbraw/zinc/27/85/13/277278513.db2.gz ODDVEOUSCUOKOX-ZDUSSCGKSA-N 1 0 306.366 1.526 20 5 DDBDRO COC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)C1CC1 ZINC000178682092 277569956 /nfs/dbraw/zinc/56/99/56/277569956.db2.gz WXBDTTJGAPALCH-CQSZACIVSA-N 1 0 308.334 1.976 20 5 DDBDRO C[C@@H](C[NH+](C)C)NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000286828723 278239725 /nfs/dbraw/zinc/23/97/25/278239725.db2.gz VTCCTCGWYOBRPW-QMMMGPOBSA-N 1 0 321.786 1.477 20 5 DDBDRO C[C@H](C[NH3+])CNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237585432 279289176 /nfs/dbraw/zinc/28/91/76/279289176.db2.gz BCIXHKWTPRSROX-SNVBAGLBSA-N 1 0 303.322 1.105 20 5 DDBDRO CC[NH+]1CCN([C@@H]2CCN(c3ncccc3[N+](=O)[O-])C2)CC1 ZINC000106479018 279369918 /nfs/dbraw/zinc/36/99/18/279369918.db2.gz CUIUWXCYPOWBRB-CYBMUJFWSA-N 1 0 305.382 1.206 20 5 DDBDRO [NH3+]CC1(NS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000111832637 279623698 /nfs/dbraw/zinc/62/36/98/279623698.db2.gz FHAQIRCOPFZTNK-UHFFFAOYSA-N 1 0 313.379 1.286 20 5 DDBDRO CCS(=O)(=O)NCC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296697968 280026265 /nfs/dbraw/zinc/02/62/65/280026265.db2.gz KOLYDGQMEGACFS-JTQLQIEISA-N 1 0 301.368 1.185 20 5 DDBDRO C[C@H]1[NH2+]CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])[C@H]1C ZINC000262784094 280051147 /nfs/dbraw/zinc/05/11/47/280051147.db2.gz PSIXVCLJSBNUDH-BDAKNGLRSA-N 1 0 317.342 1.105 20 5 DDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H](C)C[NH+](C)C ZINC000286534212 280259326 /nfs/dbraw/zinc/25/93/26/280259326.db2.gz BTYNMPVXGIWMRL-VIFPVBQESA-N 1 0 301.368 1.132 20 5 DDBDRO Cc1ccc(NCCCNC(=O)/C=C\C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000491845785 280915445 /nfs/dbraw/zinc/91/54/45/280915445.db2.gz KDRNHZCAMUDQFT-XQRVVYSFSA-N 1 0 320.393 1.939 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)c1 ZINC000450790740 295254389 /nfs/dbraw/zinc/25/43/89/295254389.db2.gz HAUTWCKEKMGCEL-TXEJJXNPSA-N 1 0 309.366 1.495 20 5 DDBDRO CC(C)[N@H+](C)C[C@@H](O)Cn1cnc2ccc([N+](=O)[O-])cc2c1=O ZINC000324328584 298263038 /nfs/dbraw/zinc/26/30/38/298263038.db2.gz ZUPOSDWQEPGQOV-GFCCVEGCSA-N 1 0 320.349 1.006 20 5 DDBDRO CC(C)[N@H+](C)C[C@H](O)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000324470663 298263087 /nfs/dbraw/zinc/26/30/87/298263087.db2.gz ZULXCEYWTXMRFQ-AWEZNQCLSA-N 1 0 319.365 1.554 20 5 DDBDRO C[NH+](C)CCN(C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)C1CC1 ZINC000356307003 298758853 /nfs/dbraw/zinc/75/88/53/298758853.db2.gz XYCLWIGBSRRSNX-UHFFFAOYSA-N 1 0 321.333 1.490 20 5 DDBDRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000356391909 298779146 /nfs/dbraw/zinc/77/91/46/298779146.db2.gz QLVJZVCGSGUPQH-NWDGAFQWSA-N 1 0 306.366 1.240 20 5 DDBDRO Cn1nc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000356717556 298857975 /nfs/dbraw/zinc/85/79/75/298857975.db2.gz WKPAIOOLRDFJHL-UHFFFAOYSA-N 1 0 321.381 1.465 20 5 DDBDRO Cc1nn(CCC(=O)N[C@@H]2[C@@H](C)CC[NH2+][C@H]2C)c(C)c1[N+](=O)[O-] ZINC000357292865 299003759 /nfs/dbraw/zinc/00/37/59/299003759.db2.gz GZIPJAHUIFKSCD-PKFCDNJMSA-N 1 0 323.397 1.301 20 5 DDBDRO C[C@H]1C[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H]1CO ZINC000362100561 300005706 /nfs/dbraw/zinc/00/57/06/300005706.db2.gz XSZMJBSKTGDBPE-CMPLNLGQSA-N 1 0 318.333 1.705 20 5 DDBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000362659646 300111440 /nfs/dbraw/zinc/11/14/40/300111440.db2.gz WTTCJOJSTVKTHB-GFCCVEGCSA-N 1 0 308.382 1.641 20 5 DDBDRO CCC[N@@H+]1CCCN(C(=O)CCn2cc([N+](=O)[O-])nc2C)CC1 ZINC000363379792 300260284 /nfs/dbraw/zinc/26/02/84/300260284.db2.gz XFZACLHDQBWRRX-UHFFFAOYSA-N 1 0 323.397 1.434 20 5 DDBDRO CO[C@@H]1CCC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000363651025 300292753 /nfs/dbraw/zinc/29/27/53/300292753.db2.gz JNNXLBTWHYODGB-UONOGXRCSA-N 1 0 324.377 1.835 20 5 DDBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000368493139 301039871 /nfs/dbraw/zinc/03/98/71/301039871.db2.gz AIEBWQQXRLNBIU-YNDZIGPTSA-N 1 0 307.325 1.766 20 5 DDBDRO O=C1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)[C@H](C2CC2)N1 ZINC000368501064 301042342 /nfs/dbraw/zinc/04/23/42/301042342.db2.gz ZPULKHCNVIASRR-WFASDCNBSA-N 1 0 307.325 1.881 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3F)C[C@@H]21 ZINC000368596851 301062133 /nfs/dbraw/zinc/06/21/33/301062133.db2.gz WFOKGLZMQIUMCF-YGRLFVJLSA-N 1 0 307.325 1.900 20 5 DDBDRO COc1cc(C(=O)N2[C@@H]3CC[C@H]2C[C@@H]([NH3+])C3)ccc1[N+](=O)[O-] ZINC000368819879 301092356 /nfs/dbraw/zinc/09/23/56/301092356.db2.gz YSDFSGBXYUXVLR-ZSBIGDGJSA-N 1 0 305.334 1.698 20 5 DDBDRO C[C@@H](CO)[N@@H+]1CCCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000368966167 301112631 /nfs/dbraw/zinc/11/26/31/301112631.db2.gz NLCHNDLEPWJAMO-XJKSGUPXSA-N 1 0 323.393 1.017 20 5 DDBDRO Cc1c(CC(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)cccc1[N+](=O)[O-] ZINC000370158906 301285966 /nfs/dbraw/zinc/28/59/66/301285966.db2.gz HIOFOTMKIUVBLL-JSGCOSHPSA-N 1 0 303.362 1.656 20 5 DDBDRO Cc1c(CC(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)cccc1[N+](=O)[O-] ZINC000370158908 301286028 /nfs/dbraw/zinc/28/60/28/301286028.db2.gz HIOFOTMKIUVBLL-TZMCWYRMSA-N 1 0 303.362 1.656 20 5 DDBDRO Cc1ccc(S(=O)(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000447243751 302395803 /nfs/dbraw/zinc/39/58/03/302395803.db2.gz JMRQFEVMJCEYJT-WDEREUQCSA-N 1 0 313.379 1.322 20 5 DDBDRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)c1cc([N+](=O)[O-])nn1C ZINC000356472355 306852543 /nfs/dbraw/zinc/85/25/43/306852543.db2.gz ZQFJVRPMILOPNV-QWRGUYRKSA-N 1 0 309.370 1.321 20 5 DDBDRO COc1cc(CN(C)C2C[NH2+]C2)c([N+](=O)[O-])cc1OC(F)F ZINC000357045724 306868195 /nfs/dbraw/zinc/86/81/95/306868195.db2.gz IATUXIRNZKKLES-UHFFFAOYSA-N 1 0 317.292 1.608 20 5 DDBDRO C[C@H]1CC[N@H+](CCNC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000531506001 303247736 /nfs/dbraw/zinc/24/77/36/303247736.db2.gz BBDFBTLFIRGBNT-ZDUSSCGKSA-N 1 0 305.378 1.985 20 5 DDBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000532397552 303284964 /nfs/dbraw/zinc/28/49/64/303284964.db2.gz ZNQSPVRDGCOHNW-GFCCVEGCSA-N 1 0 306.366 1.698 20 5 DDBDRO CS[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cn2C)C[C@@H]1[NH+](C)C ZINC000537924109 303381259 /nfs/dbraw/zinc/38/12/59/303381259.db2.gz OXSAQPAMUYJVCA-NWDGAFQWSA-N 1 0 312.395 1.051 20 5 DDBDRO [NH3+]C[C@H]1CC[C@H](NC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)C1 ZINC000562820782 303897743 /nfs/dbraw/zinc/89/77/43/303897743.db2.gz JFCSXEVLXQGEJP-AAEUAGOBSA-N 1 0 318.377 1.790 20 5 DDBDRO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000363593317 307032322 /nfs/dbraw/zinc/03/23/22/307032322.db2.gz XYTZNWXWUQWIMD-UONOGXRCSA-N 1 0 321.381 1.267 20 5 DDBDRO COC(=O)c1cnc(N2CC[C@@H]3CC[N@H+](C)[C@H]3C2)c([N+](=O)[O-])c1 ZINC000365078309 307057909 /nfs/dbraw/zinc/05/79/09/307057909.db2.gz STZDXCWYRUIEIG-GWCFXTLKSA-N 1 0 320.349 1.307 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@@H](c3nnc[nH]3)C2)c1 ZINC000366652340 307078655 /nfs/dbraw/zinc/07/86/55/307078655.db2.gz KMPDFEYWEMVKTL-TZMCWYRMSA-N 1 0 317.349 1.626 20 5 DDBDRO NC(=O)c1ccc(C[N@@H+]2CCC[C@]23CCOC3)c([N+](=O)[O-])c1 ZINC000367456782 307094619 /nfs/dbraw/zinc/09/46/19/307094619.db2.gz CUTNCKHFIMSVJN-OAHLLOKOSA-N 1 0 305.334 1.449 20 5 DDBDRO Cc1cc(N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)ccc1[N+](=O)[O-] ZINC000368532646 307104556 /nfs/dbraw/zinc/10/45/56/307104556.db2.gz JTZYGJSRWYPFPJ-JKSUJKDBSA-N 1 0 305.378 1.939 20 5 DDBDRO CN(C(=O)CNc1ccccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]CC1 ZINC000369747780 307127716 /nfs/dbraw/zinc/12/77/16/307127716.db2.gz CAKMAZRHFNJHIG-GFCCVEGCSA-N 1 0 306.366 1.607 20 5 DDBDRO Cc1nn(C)c(C(=O)N2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1[N+](=O)[O-] ZINC000371226768 307145403 /nfs/dbraw/zinc/14/54/03/307145403.db2.gz CKRJXSXAYPGWJR-NWDGAFQWSA-N 1 0 321.381 1.241 20 5 DDBDRO O=[N+]([O-])c1cnn([C@H]2CCCN(CC[NH+]3CCCCC3)C2)c1 ZINC000372284315 307167384 /nfs/dbraw/zinc/16/73/84/307167384.db2.gz YSYVJOMVSZYUKD-AWEZNQCLSA-N 1 0 307.398 1.914 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000376570242 307248085 /nfs/dbraw/zinc/24/80/85/307248085.db2.gz SQIINZYZULKSMD-AAEUAGOBSA-N 1 0 321.381 1.185 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000378489999 307289492 /nfs/dbraw/zinc/28/94/92/307289492.db2.gz CEJKPQKVTXHWNH-FZMZJTMJSA-N 1 0 304.350 1.464 20 5 DDBDRO COC(=O)N1CC([NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000496075709 307325236 /nfs/dbraw/zinc/32/52/36/307325236.db2.gz HWBHWEQLOOFITM-NWDGAFQWSA-N 1 0 323.353 1.315 20 5 DDBDRO C[C@H]1CC[C@@H](C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)O1 ZINC000530443445 307597608 /nfs/dbraw/zinc/59/76/08/307597608.db2.gz DYRKYTWFBMHKPS-JSGCOSHPSA-N 1 0 306.366 1.679 20 5 DDBDRO CO[C@](C)(C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000564445227 307997253 /nfs/dbraw/zinc/99/72/53/307997253.db2.gz AERXPTJTDXPLJO-GDBMZVCRSA-N 1 0 324.377 1.739 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CCC1(CO)CC1 ZINC000566068317 308042325 /nfs/dbraw/zinc/04/23/25/308042325.db2.gz CNJMNWYTGSVYPD-GFCCVEGCSA-N 1 0 310.350 1.087 20 5 DDBDRO [NH3+]CC12CCC(CC1)CN2C(=O)COc1ccccc1[N+](=O)[O-] ZINC000570171985 308161662 /nfs/dbraw/zinc/16/16/62/308161662.db2.gz YGEHFIMBJFDMNL-UHFFFAOYSA-N 1 0 319.361 1.704 20 5 DDBDRO CC[C@@](C)(C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])OC ZINC000576150637 308292530 /nfs/dbraw/zinc/29/25/30/308292530.db2.gz WIKJJVHAMHLPCS-DOMZBBRYSA-N 1 0 312.366 1.739 20 5 DDBDRO COc1ccc(CC(=O)NCCC[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000576458304 308315931 /nfs/dbraw/zinc/31/59/31/308315931.db2.gz SIANEZPEHGASBZ-CYBMUJFWSA-N 1 0 321.377 1.794 20 5 DDBDRO COc1ccc(CNC(=O)N[C@H](C)C[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000576872354 308345871 /nfs/dbraw/zinc/34/58/71/308345871.db2.gz ZOCHBJTYTLTYLI-NXEZZACHSA-N 1 0 310.354 1.528 20 5 DDBDRO C[C@H](C(=O)NCCNc1cc[nH+]cc1)c1cccc([N+](=O)[O-])c1 ZINC000576926469 308349682 /nfs/dbraw/zinc/34/96/82/308349682.db2.gz JVRKETQZLHATAJ-LBPRGKRZSA-N 1 0 314.345 1.744 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@H]2CCSC2)c1 ZINC000576980369 308354118 /nfs/dbraw/zinc/35/41/18/308354118.db2.gz XXSKPYSPKBMRQL-DGCLKSJQSA-N 1 0 312.391 1.677 20 5 DDBDRO COCC[NH2+]C1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000577621193 308402799 /nfs/dbraw/zinc/40/27/99/308402799.db2.gz NMTFTDKVXOVLAW-UHFFFAOYSA-N 1 0 313.379 1.497 20 5 DDBDRO O=C([C@H]1CC12CC[NH2+]CC2)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000579713117 308552525 /nfs/dbraw/zinc/55/25/25/308552525.db2.gz BIRWYXLSGRNYRG-CYBMUJFWSA-N 1 0 316.361 1.264 20 5 DDBDRO C[C@@H]([NH3+])[C@@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000381458356 325741806 /nfs/dbraw/zinc/74/18/06/325741806.db2.gz IKAHYZYJRATJIA-RNFRBKRXSA-N 1 0 307.759 1.262 20 5 DDBDRO [NH3+]C[C@H]1c2ccccc2CCN1CCn1cc([N+](=O)[O-])cn1 ZINC000582789373 337166426 /nfs/dbraw/zinc/16/64/26/337166426.db2.gz XSLZRBZNEGTKRX-HNNXBMFYSA-N 1 0 301.350 1.349 20 5 DDBDRO CC(C)[NH2+]CCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000034186751 337317516 /nfs/dbraw/zinc/31/75/16/337317516.db2.gz PQOXQWKVFGJHAM-UHFFFAOYSA-N 1 0 301.368 1.261 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000415388667 534320304 /nfs/dbraw/zinc/32/03/04/534320304.db2.gz YOSMIYPPKNZBJI-NSHDSACASA-N 1 0 320.349 1.018 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[NH+]2CCC3(CCC(O)CC3)CC2)c1 ZINC000451146684 534889334 /nfs/dbraw/zinc/88/93/34/534889334.db2.gz OSQXCRJAZDCWLK-UHFFFAOYSA-N 1 0 308.382 1.808 20 5 DDBDRO CC(C)(C)OC(=O)[C@]1(C)CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000459581337 526526319 /nfs/dbraw/zinc/52/63/19/526526319.db2.gz KXWRZPFJMFAOIP-OAHLLOKOSA-N 1 0 324.381 1.845 20 5 DDBDRO CC1(C)[C@H]([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)[C@@H]2CCO[C@H]21 ZINC000451473505 527870220 /nfs/dbraw/zinc/87/02/20/527870220.db2.gz WNOIRKOTCSUYDF-IACUBPJLSA-N 1 0 307.350 1.160 20 5 DDBDRO CC[NH+]1CCN(CC(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000452185044 529138268 /nfs/dbraw/zinc/13/82/68/529138268.db2.gz XGSUYZIFQNHYMG-ZDUSSCGKSA-N 1 0 320.393 1.410 20 5 DDBDRO C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1)C1CC1 ZINC000736761849 598382915 /nfs/dbraw/zinc/38/29/15/598382915.db2.gz UYZIPMDQXSDRIR-ZDUSSCGKSA-N 1 0 317.353 1.527 20 5 DDBDRO CC[NH+](CC)[C@@H](C)CNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC000821182738 606697923 /nfs/dbraw/zinc/69/79/23/606697923.db2.gz YIVDQPWEVRIJMM-VIFPVBQESA-N 1 0 320.357 1.312 20 5 DDBDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000824860828 608197413 /nfs/dbraw/zinc/19/74/13/608197413.db2.gz YAPUCZCGSRQXSM-VHSXEESVSA-N 1 0 317.353 1.304 20 5 DDBDRO C[NH+]1CCN(CCNC(=S)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000017514464 696065487 /nfs/dbraw/zinc/06/54/87/696065487.db2.gz ACGJUQHKSHEZDO-UHFFFAOYSA-N 1 0 323.422 1.129 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@H](c3ccccn3)C2)c1 ZINC000799191554 700127720 /nfs/dbraw/zinc/12/77/20/700127720.db2.gz NAELIFJNSVYBRE-GXTWGEPZSA-N 1 0 317.349 1.037 20 5 DDBDRO COC[C@H](O)C[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000162181879 697326764 /nfs/dbraw/zinc/32/67/64/697326764.db2.gz FCIRURJAWDONRH-SNVBAGLBSA-N 1 0 319.155 1.454 20 5 DDBDRO CC[NH+](CC)CCCNC(=O)c1cc(C)cc([N+](=O)[O-])c1N ZINC000749331095 700156652 /nfs/dbraw/zinc/15/66/52/700156652.db2.gz DMSUEARFKMIIKC-UHFFFAOYSA-N 1 0 308.382 1.947 20 5 DDBDRO COCC(=O)N1CCC([N@H+](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000985188835 697464943 /nfs/dbraw/zinc/46/49/43/697464943.db2.gz IXQUHIANRSKNHO-UHFFFAOYSA-N 1 0 321.377 1.664 20 5 DDBDRO C[N@H+](Cc1ccsc1)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000985432939 697510341 /nfs/dbraw/zinc/51/03/41/697510341.db2.gz HCAMSSOXPLRRKP-ZIAGYGMSSA-N 1 0 323.418 1.836 20 5 DDBDRO NC(=O)C[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000774863244 697936282 /nfs/dbraw/zinc/93/62/82/697936282.db2.gz LWUZPEYNYVDTKR-NSHDSACASA-N 1 0 322.321 1.733 20 5 DDBDRO CN(C)C(=O)C1CC[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776574517 698119742 /nfs/dbraw/zinc/11/97/42/698119742.db2.gz IKUNLTIRNRNAOF-HNNXBMFYSA-N 1 0 321.377 1.428 20 5 DDBDRO COC(=O)[C@H]1CCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776581558 698120917 /nfs/dbraw/zinc/12/09/17/698120917.db2.gz JZJBJXXZAGHWJI-JSGCOSHPSA-N 1 0 308.334 1.513 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCSC[C@H]2CCO)c1 ZINC000750095184 700203581 /nfs/dbraw/zinc/20/35/81/700203581.db2.gz WHGSUHRSMZVIKW-ZIAGYGMSSA-N 1 0 312.391 1.428 20 5 DDBDRO CC(C)[C@H](C[NH+](C)C)NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000778736717 698363593 /nfs/dbraw/zinc/36/35/93/698363593.db2.gz PSRKSBZUVARAEB-NSHDSACASA-N 1 0 323.349 1.640 20 5 DDBDRO COCC1(CNC(=O)Nc2cccc([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000261913080 698444723 /nfs/dbraw/zinc/44/47/23/698444723.db2.gz QKYHCGKNKPEOBL-UHFFFAOYSA-N 1 0 322.365 1.733 20 5 DDBDRO CCOC(=O)CCN(CC1CC1)Cn1cc([N+](=O)[O-])c(C)n1 ZINC000779859729 698476302 /nfs/dbraw/zinc/47/63/02/698476302.db2.gz YLJPDBSGIGHMHS-UHFFFAOYSA-N 1 0 310.354 1.722 20 5 DDBDRO C[NH+](C)C1(CNS(=O)(=O)c2csc([N+](=O)[O-])c2)CCC1 ZINC000782487066 698729085 /nfs/dbraw/zinc/72/90/85/698729085.db2.gz BEBQQXWVLRAOBG-UHFFFAOYSA-N 1 0 319.408 1.419 20 5 DDBDRO COC[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000783239622 698823618 /nfs/dbraw/zinc/82/36/18/698823618.db2.gz LJWQGLGAHFQAHY-JKSUJKDBSA-N 1 0 324.377 1.659 20 5 DDBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCS(=O)(=O)C2)cc1Cl ZINC000783598416 698855451 /nfs/dbraw/zinc/85/54/51/698855451.db2.gz ROECRMYULBMFNL-SNVBAGLBSA-N 1 0 318.782 1.773 20 5 DDBDRO CNc1ccc(C(=O)NCC[N@@H+]2CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000783922775 698892507 /nfs/dbraw/zinc/89/25/07/698892507.db2.gz WCZYZGALKKWMBX-NSHDSACASA-N 1 0 306.366 1.851 20 5 DDBDRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)OCCn1cc([N+](=O)[O-])ccc1=O ZINC000785728513 699095810 /nfs/dbraw/zinc/09/58/10/699095810.db2.gz IDNPGBUMOUGYRG-VXGBXAGGSA-N 1 0 323.349 1.173 20 5 DDBDRO O=C(CN1CC[C@]2(CCC[NH2+]2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000420412236 699139577 /nfs/dbraw/zinc/13/95/77/699139577.db2.gz YLOWHGSIVUTPEH-OAHLLOKOSA-N 1 0 304.350 1.361 20 5 DDBDRO CCc1nncn1CC[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788749418 699337710 /nfs/dbraw/zinc/33/77/10/699337710.db2.gz FPVLMRTXXGTQEW-SNVBAGLBSA-N 1 0 304.354 1.682 20 5 DDBDRO O=[N+]([O-])c1ccc(NCCC[NH+]2CCC(O)CC2)c2nonc21 ZINC000728050572 699435971 /nfs/dbraw/zinc/43/59/71/699435971.db2.gz MQGHAMJJBBOJEA-UHFFFAOYSA-N 1 0 321.337 1.390 20 5 DDBDRO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)c(N)c([N+](=O)[O-])c1 ZINC000729285983 699475778 /nfs/dbraw/zinc/47/57/78/699475778.db2.gz VUCIOSRFKZBLCH-SNVBAGLBSA-N 1 0 304.350 1.452 20 5 DDBDRO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792865489 699719787 /nfs/dbraw/zinc/71/97/87/699719787.db2.gz CALJQEVQJMMQGM-GXSJLCMTSA-N 1 0 322.321 1.589 20 5 DDBDRO COCCn1cc(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000742370090 699875614 /nfs/dbraw/zinc/87/56/14/699875614.db2.gz QVPRMSKUHQTVBP-OAHLLOKOSA-N 1 0 320.349 1.261 20 5 DDBDRO CC(C)[N@@H+]1CCO[C@@H](COC(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC000802140572 700372509 /nfs/dbraw/zinc/37/25/09/700372509.db2.gz KOQVTHRDOPPZEZ-GFCCVEGCSA-N 1 0 311.338 1.199 20 5 DDBDRO C[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@]1(CO)CCOC1 ZINC000763888909 700952068 /nfs/dbraw/zinc/95/20/68/700952068.db2.gz SXROIFLSPMYZPG-ZDUSSCGKSA-N 1 0 300.742 1.831 20 5 DDBDRO CC(C)(C)n1cc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)nn1 ZINC000809734874 701683638 /nfs/dbraw/zinc/68/36/38/701683638.db2.gz MXYBHDOHCFTWMG-UHFFFAOYSA-N 1 0 318.381 1.907 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)OCC[NH+]1CCCCC1 ZINC000770361581 701275241 /nfs/dbraw/zinc/27/52/41/701275241.db2.gz VVANDJMKTHPPSW-UHFFFAOYSA-N 1 0 310.354 1.519 20 5 DDBDRO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](CO)C2CC2)c([N+](=O)[O-])c1 ZINC000771817608 701332913 /nfs/dbraw/zinc/33/29/13/701332913.db2.gz HQVJPHLQMNBDML-RNCFNFMXSA-N 1 0 323.349 1.291 20 5 DDBDRO Cn1ncc(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)n1 ZINC000806166869 701428501 /nfs/dbraw/zinc/42/85/01/701428501.db2.gz CODOUYPOEBYLFG-RYUDHWBXSA-N 1 0 305.342 1.193 20 5 DDBDRO Cc1nn(C[N@@H+]2CC[C@H](CC(N)=O)C2)c2cc([N+](=O)[O-])ccc12 ZINC000808229338 701509607 /nfs/dbraw/zinc/50/96/07/701509607.db2.gz QGKRQZFIDXWJKF-LLVKDONJSA-N 1 0 317.349 1.408 20 5 DDBDRO C[C@@H]([NH2+][C@H]1CC(=O)N(C2CC2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815594888 701901997 /nfs/dbraw/zinc/90/19/97/701901997.db2.gz AYSMIFFJSBSHFP-KOLCDFICSA-N 1 0 304.350 1.591 20 5 DDBDRO CC[N@@H+]1CCN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])[C@H](C)C1 ZINC000868269140 702032668 /nfs/dbraw/zinc/03/26/68/702032668.db2.gz CPAIYSSDHUWKSK-LLVKDONJSA-N 1 0 309.341 1.829 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(c3ccc([N+](=O)[O-])c(C(N)=O)c3)CC[C@@H]21 ZINC000866208678 706649215 /nfs/dbraw/zinc/64/92/15/706649215.db2.gz KJNKXKOGPUMAFU-MFKMUULPSA-N 1 0 304.350 1.224 20 5 DDBDRO COC(=O)c1ccnc(N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000866209626 706649772 /nfs/dbraw/zinc/64/97/72/706649772.db2.gz UOGOAHRHDBXVSX-CMPLNLGQSA-N 1 0 320.349 1.307 20 5 DDBDRO Nc1ccc(C(=O)N2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000818002359 702549336 /nfs/dbraw/zinc/54/93/36/702549336.db2.gz XEBIYCRYFWVYEU-GXTWGEPZSA-N 1 0 318.377 1.781 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000818018235 702555759 /nfs/dbraw/zinc/55/57/59/702555759.db2.gz UHZCBCPZIYGRSF-INIZCTEOSA-N 1 0 318.377 1.629 20 5 DDBDRO C[C@@H]1CN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@H](C)C[NH2+]1 ZINC000842473777 702724979 /nfs/dbraw/zinc/72/49/79/702724979.db2.gz FOTNVKLJNKZPOC-GHMZBOCLSA-N 1 0 324.356 1.745 20 5 DDBDRO CC[NH2+]CCCNS(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 ZINC000842690906 702757352 /nfs/dbraw/zinc/75/73/52/702757352.db2.gz FWFYTPJFSMPXTF-UHFFFAOYSA-N 1 0 319.358 1.320 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@H](CO)Cc2ccco2)cc1 ZINC000843059147 702809882 /nfs/dbraw/zinc/80/98/82/702809882.db2.gz GASXICPIUKTWAE-MLGOLLRUSA-N 1 0 320.345 1.662 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@@H](CO)Cc2ccco2)c1 ZINC000843059781 702810295 /nfs/dbraw/zinc/81/02/95/702810295.db2.gz NOZGXEKNRANQIR-LRDDRELGSA-N 1 0 320.345 1.662 20 5 DDBDRO CC[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H](O)C(F)F ZINC000843114563 702821824 /nfs/dbraw/zinc/82/18/24/702821824.db2.gz KWFPNWHYNIERHJ-QJPTWQEYSA-N 1 0 304.293 1.622 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1-c1noc(C[C@H]2C[NH2+]CCO2)n1 ZINC000843187153 702836896 /nfs/dbraw/zinc/83/68/96/702836896.db2.gz MBQBCGPJFKSDGI-NSHDSACASA-N 1 0 304.306 1.484 20 5 DDBDRO Cc1c(Cc2noc(C[C@@H]3C[NH2+]CCO3)n2)cccc1[N+](=O)[O-] ZINC000843191098 702837850 /nfs/dbraw/zinc/83/78/50/702837850.db2.gz CQJRZVIJEMQKLX-GFCCVEGCSA-N 1 0 318.333 1.408 20 5 DDBDRO COc1cc(Cc2noc([C@]3(F)CC[NH2+]C3)n2)ccc1[N+](=O)[O-] ZINC000843191106 702837943 /nfs/dbraw/zinc/83/79/43/702837943.db2.gz CSDOSWRVZJSTNW-AWEZNQCLSA-N 1 0 322.296 1.735 20 5 DDBDRO C[NH2+][C@H]1CCN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000843344560 702863425 /nfs/dbraw/zinc/86/34/25/702863425.db2.gz LGHOBLJOKUNELM-JTQLQIEISA-N 1 0 312.757 1.480 20 5 DDBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CC[C@@H]([NH3+])C1 ZINC000843345258 702863497 /nfs/dbraw/zinc/86/34/97/702863497.db2.gz OJEODOLGUZGSMP-RKDXNWHRSA-N 1 0 312.757 1.608 20 5 DDBDRO O=[N+]([O-])c1ccc(Cl)cc1CN1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000843421202 702877317 /nfs/dbraw/zinc/87/73/17/702877317.db2.gz DGYRGVRMVTWFQK-CYBMUJFWSA-N 1 0 311.769 1.499 20 5 DDBDRO [NH3+][C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)C1CC1 ZINC000843452997 702885347 /nfs/dbraw/zinc/88/53/47/702885347.db2.gz JTVZOJMYCLMVRS-CQSZACIVSA-N 1 0 318.377 1.662 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N(C)C2(C[NH3+])CCC2)cc1[N+](=O)[O-] ZINC000843485520 702890909 /nfs/dbraw/zinc/89/09/09/702890909.db2.gz RIGIXFVUCGMSMZ-UHFFFAOYSA-N 1 0 322.321 1.765 20 5 DDBDRO CCCN(C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C)C1 ZINC000843987033 702949297 /nfs/dbraw/zinc/94/92/97/702949297.db2.gz DLDPBLSKNZATNL-CABCVRRESA-N 1 0 321.377 1.571 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@]3(CC3(F)F)C2)c1 ZINC000844435301 703031337 /nfs/dbraw/zinc/03/13/37/703031337.db2.gz BWQDBZZCPDJUCQ-NEPJUHHUSA-N 1 0 316.308 1.273 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000845634796 703185352 /nfs/dbraw/zinc/18/53/52/703185352.db2.gz LHFIDLZBTRBFEF-UHFFFAOYSA-N 1 0 306.366 1.113 20 5 DDBDRO Cc1nn(CCC(=O)OC[C@@H]2CC[N@H+](C)[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000845816120 703205893 /nfs/dbraw/zinc/20/58/93/703205893.db2.gz PYHDKAQZPLRYLM-YPMHNXCESA-N 1 0 324.381 1.682 20 5 DDBDRO [NH3+]CC1(CCNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000846690964 703318379 /nfs/dbraw/zinc/31/83/79/703318379.db2.gz HKQQJYXCSLJWEY-UHFFFAOYSA-N 1 0 308.294 1.362 20 5 DDBDRO CCNS(=O)(=O)CC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000848534641 703561688 /nfs/dbraw/zinc/56/16/88/703561688.db2.gz SZCHWYSBNJVPIH-LBPRGKRZSA-N 1 0 313.379 1.111 20 5 DDBDRO C[C@@H]1CN(C(=[NH2+])NCCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000849007490 703609914 /nfs/dbraw/zinc/60/99/14/703609914.db2.gz SHDQZKGUIDVAFH-LLVKDONJSA-N 1 0 308.338 1.219 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@@H]2CCCn3nccc32)cc1 ZINC000850432431 703731000 /nfs/dbraw/zinc/73/10/00/703731000.db2.gz BQOHYKHQMFZVDD-HIFRSBDPSA-N 1 0 302.334 1.949 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@H]2CCCn3nccc32)cc1 ZINC000850432433 703731025 /nfs/dbraw/zinc/73/10/25/703731025.db2.gz BQOHYKHQMFZVDD-ZFWWWQNUSA-N 1 0 302.334 1.949 20 5 DDBDRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000869780623 703850941 /nfs/dbraw/zinc/85/09/41/703850941.db2.gz MRNZYKYZJCXRJB-ZDUSSCGKSA-N 1 0 321.377 1.099 20 5 DDBDRO O=C1CC[C@H](C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)O1 ZINC000851844326 703868718 /nfs/dbraw/zinc/86/87/18/703868718.db2.gz VVWGGNHIXBTEKE-CMPLNLGQSA-N 1 0 306.322 1.182 20 5 DDBDRO CC(C)[C@H]1CN(S(=O)(=O)c2csc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000851895512 703879957 /nfs/dbraw/zinc/87/99/57/703879957.db2.gz CPDGRQJICRRPGA-SNVBAGLBSA-N 1 0 319.408 1.275 20 5 DDBDRO CCO[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1C)C[NH+](C)C ZINC000831777012 706777818 /nfs/dbraw/zinc/77/78/18/706777818.db2.gz ORYSEGYVBDDCTI-LBPRGKRZSA-N 1 0 309.366 1.600 20 5 DDBDRO C[C@@H](C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)Cn1cccn1 ZINC000818960803 704035267 /nfs/dbraw/zinc/03/52/67/704035267.db2.gz KVZPMSXPJSTHTQ-WFASDCNBSA-N 1 0 304.350 1.751 20 5 DDBDRO NC(=O)C1CCC([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000819016410 704052081 /nfs/dbraw/zinc/05/20/81/704052081.db2.gz KRJLKSWYFLLSRQ-MMWSSPAHSA-N 1 0 307.350 1.262 20 5 DDBDRO CC(=O)N1CCC(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000819019048 704052623 /nfs/dbraw/zinc/05/26/23/704052623.db2.gz FQFMHCJMQBOUQV-INIZCTEOSA-N 1 0 321.377 1.476 20 5 DDBDRO CC(C)(C)N1C[C@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1=O ZINC000819127599 704072977 /nfs/dbraw/zinc/07/29/77/704072977.db2.gz UYNWJHZBBBLZCP-TZMCWYRMSA-N 1 0 321.377 1.617 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2CCc3nc[nH]c3C2)c1 ZINC000819323310 704107415 /nfs/dbraw/zinc/10/74/15/704107415.db2.gz ZIBAMQBWSVVNRL-IAQYHMDHSA-N 1 0 302.334 1.498 20 5 DDBDRO C[C@H](Cc1cnn(C)c1)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819353140 704111951 /nfs/dbraw/zinc/11/19/51/704111951.db2.gz MIJWPPPUZMZNME-IAQYHMDHSA-N 1 0 304.350 1.583 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCC1([NH3+])CCCC1 ZINC000852906079 704168999 /nfs/dbraw/zinc/16/89/99/704168999.db2.gz NZBHPINJCVRSEE-UHFFFAOYSA-N 1 0 306.366 1.662 20 5 DDBDRO COC(=O)N(C)CC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000853120114 704200929 /nfs/dbraw/zinc/20/09/29/704200929.db2.gz RLPCYTZTROWXBA-UHFFFAOYSA-N 1 0 324.337 1.211 20 5 DDBDRO O=c1[nH]ccc(NC2CC[NH+](C[C@H]3CCCO3)CC2)c1[N+](=O)[O-] ZINC000853160738 704206883 /nfs/dbraw/zinc/20/68/83/704206883.db2.gz SAIJFUDWIGOCOM-GFCCVEGCSA-N 1 0 322.365 1.751 20 5 DDBDRO C[NH+](C)CC1CN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000854723108 704444411 /nfs/dbraw/zinc/44/44/11/704444411.db2.gz RAWDQYFTVDYKCQ-UHFFFAOYSA-N 1 0 308.294 1.137 20 5 DDBDRO [NH3+]CCCCCC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000832021405 706827606 /nfs/dbraw/zinc/82/76/06/706827606.db2.gz OGUXDKJJHRMDTQ-UHFFFAOYSA-N 1 0 309.370 1.474 20 5 DDBDRO [NH3+][C@@H](CNC(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000857762943 704621712 /nfs/dbraw/zinc/62/17/12/704621712.db2.gz JHNANNYQNLWRHW-NSHDSACASA-N 1 0 315.276 1.420 20 5 DDBDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000822237612 704895956 /nfs/dbraw/zinc/89/59/56/704895956.db2.gz BLSXKQJMFCOXKK-CYBMUJFWSA-N 1 0 315.414 1.295 20 5 DDBDRO O=C(C[NH+]1CCCC1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000822334844 704920874 /nfs/dbraw/zinc/92/08/74/704920874.db2.gz PLPIAPGAOWZFNY-UHFFFAOYSA-N 1 0 305.334 1.280 20 5 DDBDRO C[C@H]1CCCC[N@@H+]1CCNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825099414 705599421 /nfs/dbraw/zinc/59/94/21/705599421.db2.gz ZCLTXVLJADWJHE-SWLSCSKDSA-N 1 0 321.377 1.619 20 5 DDBDRO Nc1ccc(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)cc1[N+](=O)[O-] ZINC000825200187 705623009 /nfs/dbraw/zinc/62/30/09/705623009.db2.gz BFUNZHWVULYKPA-VIFPVBQESA-N 1 0 306.244 1.187 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1CN1CCN2C(=O)OC[C@@H]2C1 ZINC000876766082 705865400 /nfs/dbraw/zinc/86/54/00/705865400.db2.gz APKGMWPDHXLNSZ-LBPRGKRZSA-N 1 0 305.334 1.848 20 5 DDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]Cc3cn4ccccc4n3)C2)c1 ZINC000876895881 705912586 /nfs/dbraw/zinc/91/25/86/705912586.db2.gz NWSGLWSDZUQWAW-UHFFFAOYSA-N 1 0 312.333 1.932 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+](C)CCNC(=O)N(C)C ZINC000877140086 705994359 /nfs/dbraw/zinc/99/43/59/705994359.db2.gz MJCHPPLFAOVXRV-UHFFFAOYSA-N 1 0 308.382 1.915 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000877156588 706000850 /nfs/dbraw/zinc/00/08/50/706000850.db2.gz DAZSARGYNFEVDK-NSHDSACASA-N 1 0 306.366 1.806 20 5 DDBDRO [NH3+]CC12CCC(CC1)N2C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000877191509 706012466 /nfs/dbraw/zinc/01/24/66/706012466.db2.gz YDWPOSJIMCRDIZ-UHFFFAOYSA-N 1 0 305.334 1.456 20 5 DDBDRO Cc1c(CC(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)cccc1[N+](=O)[O-] ZINC000877277820 706045754 /nfs/dbraw/zinc/04/57/54/706045754.db2.gz PDFGUWFMSHTTTB-UKRRQHHQSA-N 1 0 303.362 1.799 20 5 DDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]CC3(CF)CCOCC3)C2)c1 ZINC000877565562 706144433 /nfs/dbraw/zinc/14/44/33/706144433.db2.gz JVFBUGXPLVIFLC-UHFFFAOYSA-N 1 0 312.345 1.851 20 5 DDBDRO C[C@@H]1CN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@H](C)CN1C ZINC000828249342 706146373 /nfs/dbraw/zinc/14/63/73/706146373.db2.gz ZZZUWWDCXBVOAY-GYSYKLTISA-N 1 0 307.350 1.179 20 5 DDBDRO CC[NH+]1CCC(NC(=O)Cc2cccc(F)c2[N+](=O)[O-])CC1 ZINC000864609655 706211404 /nfs/dbraw/zinc/21/14/04/706211404.db2.gz BGZIUYOCLKPYQK-UHFFFAOYSA-N 1 0 309.341 1.877 20 5 DDBDRO O=C(N1C[C@@H]2C[C@H]1C[NH2+]2)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000864617664 706214657 /nfs/dbraw/zinc/21/46/57/706214657.db2.gz YGYNTDJECWTMFB-WPRPVWTQSA-N 1 0 313.260 1.139 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)[NH2+][C@@H]2CC[C@H]2C2CC2)cc1 ZINC000877831433 706226990 /nfs/dbraw/zinc/22/69/90/706226990.db2.gz TULPHMWIMWXSKU-ZJIFWQFVSA-N 1 0 306.362 1.767 20 5 DDBDRO CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000829281307 706313516 /nfs/dbraw/zinc/31/35/16/706313516.db2.gz ZDEUXLRFJZIKDN-UHFFFAOYSA-N 1 0 322.365 1.107 20 5 DDBDRO C[NH+](C)C1CCN(CCNc2ccnc(F)c2[N+](=O)[O-])CC1 ZINC000882055149 707480731 /nfs/dbraw/zinc/48/07/31/707480731.db2.gz GCXOZGKAXXWACO-UHFFFAOYSA-N 1 0 311.361 1.567 20 5 DDBDRO Cc1c(NC(=O)CC[N@@H+]2CC=C[C@@H]2CO)cccc1[N+](=O)[O-] ZINC000880490158 706993043 /nfs/dbraw/zinc/99/30/43/706993043.db2.gz MLQWBORTPHWEPB-GFCCVEGCSA-N 1 0 305.334 1.465 20 5 DDBDRO O=C1NCC[C@@H]2CCC[N@@H+](CCc3ccc([N+](=O)[O-])cc3)[C@@H]12 ZINC000880529337 707005936 /nfs/dbraw/zinc/00/59/36/707005936.db2.gz KXXXSLPMKUJTRF-DZGCQCFKSA-N 1 0 303.362 1.738 20 5 DDBDRO CN1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)Cc2cccnc21 ZINC000872318671 707380383 /nfs/dbraw/zinc/38/03/83/707380383.db2.gz NECAHDHYNFJCKU-UHFFFAOYSA-N 1 0 302.338 1.138 20 5 DDBDRO CCc1nn(C)c(NCCN2CCOC[C@@H]2CC)c1[N+](=O)[O-] ZINC000872771862 707593504 /nfs/dbraw/zinc/59/35/04/707593504.db2.gz MBDIZBZIYOSFRW-NSHDSACASA-N 1 0 311.386 1.413 20 5 DDBDRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2c1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000872778978 707596691 /nfs/dbraw/zinc/59/66/91/707596691.db2.gz BWLWHGHHTQWBSK-VXGBXAGGSA-N 1 0 304.350 1.367 20 5 DDBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000882482575 707653306 /nfs/dbraw/zinc/65/33/06/707653306.db2.gz RZPZWZJWYIJTRY-GFCCVEGCSA-N 1 0 306.366 1.607 20 5 DDBDRO CC[N@@H+]1CC[C@H]1CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000882961772 707875038 /nfs/dbraw/zinc/87/50/38/707875038.db2.gz XGWODFVGPYBEOF-NSHDSACASA-N 1 0 304.350 1.986 20 5 DDBDRO O=[N+]([O-])c1cnc(N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)c(F)c1 ZINC000897216829 708255930 /nfs/dbraw/zinc/25/59/30/708255930.db2.gz VTKMGRUDZGWOLA-OLZOCXBDSA-N 1 0 310.329 1.164 20 5 DDBDRO Nc1ccc([N+](=O)[O-])c(N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)c1 ZINC000897221123 708258508 /nfs/dbraw/zinc/25/85/08/708258508.db2.gz HMEGXJYBBURCKT-CHWSQXEVSA-N 1 0 306.366 1.212 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000897222770 708260671 /nfs/dbraw/zinc/26/06/71/708260671.db2.gz XMKVGCYVANMTET-KGLIPLIRSA-N 1 0 305.378 1.939 20 5 DDBDRO Cn1nnc2c1C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)CC2 ZINC000897347569 708300389 /nfs/dbraw/zinc/30/03/89/708300389.db2.gz PCFOXCZPEDNUBM-GFCCVEGCSA-N 1 0 301.350 1.413 20 5 DDBDRO C[C@H]1C[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000897683209 708418565 /nfs/dbraw/zinc/41/85/65/708418565.db2.gz ATSMIWYWIBSXOU-NHYWBVRUSA-N 1 0 316.361 1.808 20 5 DDBDRO C[N@@H+]1CCC[C@](O)(CC(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000900403527 709579444 /nfs/dbraw/zinc/57/94/44/709579444.db2.gz RFHAVMKGCNMNPB-HNNXBMFYSA-N 1 0 307.350 1.058 20 5 DDBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N1CC[C@H]([NH+]2CCC2)C1 ZINC000912918554 713124255 /nfs/dbraw/zinc/12/42/55/713124255.db2.gz FTYMVPNCXLFSQP-ZDUSSCGKSA-N 1 0 319.361 1.670 20 5 DDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000891608376 710247177 /nfs/dbraw/zinc/24/71/77/710247177.db2.gz VTSFWKVMRAYIHK-ZFWWWQNUSA-N 1 0 318.377 1.673 20 5 DDBDRO COc1cc([N+](=O)[O-])cnc1NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000891674214 710262997 /nfs/dbraw/zinc/26/29/97/710262997.db2.gz FYWWGKNWMNLPQK-VXGBXAGGSA-N 1 0 324.381 1.910 20 5 DDBDRO C[C@H](CNc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-])[NH+](C)C ZINC000891755783 710286123 /nfs/dbraw/zinc/28/61/23/710286123.db2.gz KYDHGOOFJYGPHH-SNVBAGLBSA-N 1 0 304.350 1.809 20 5 DDBDRO Cc1c(CNC(=O)N[C@]23CCC[C@@H]2[NH2+]CC3)cccc1[N+](=O)[O-] ZINC000891848651 710308781 /nfs/dbraw/zinc/30/87/81/710308781.db2.gz KABYMDNKPGFSIO-HOCLYGCPSA-N 1 0 318.377 1.987 20 5 DDBDRO C[C@@]1(NC(=O)Cc2ccccc2[N+](=O)[O-])C[NH+]2CCC1CC2 ZINC000892801419 710502707 /nfs/dbraw/zinc/50/27/07/710502707.db2.gz SDLVBQYWFMLIKG-MRXNPFEDSA-N 1 0 303.362 1.738 20 5 DDBDRO C[NH+]1C[C@]2(C)CN(C(=O)c3ccc([N+](=O)[O-])cn3)C[C@@]2(C)C1 ZINC000913285498 713191827 /nfs/dbraw/zinc/19/18/27/713191827.db2.gz YFLHFAKEXCOMIP-HUUCEWRRSA-N 1 0 304.350 1.404 20 5 DDBDRO COc1cc(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2C)cc([N+](=O)[O-])c1C ZINC000928438766 713195795 /nfs/dbraw/zinc/19/57/95/713195795.db2.gz GVCNLTZQIVFTAR-CMPLNLGQSA-N 1 0 307.350 1.734 20 5 DDBDRO C[C@@H]1[C@@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC[N@@H+]1C ZINC000928446192 713199860 /nfs/dbraw/zinc/19/98/60/713199860.db2.gz VCVPHJQOJPNRSR-RNCFNFMXSA-N 1 0 302.334 1.899 20 5 DDBDRO C[C@@H]1[C@H](NC(=O)CSc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000928452785 713203820 /nfs/dbraw/zinc/20/38/20/713203820.db2.gz JKDBAAREQHFQDM-ZWNOBZJWSA-N 1 0 309.391 1.896 20 5 DDBDRO CN(C(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000911693191 710933853 /nfs/dbraw/zinc/93/38/53/710933853.db2.gz FQHVGHZIEPAGMA-HUUCEWRRSA-N 1 0 303.362 1.909 20 5 DDBDRO C[C@@H]1C[NH2+]C[C@H]1CN1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000903442698 711128445 /nfs/dbraw/zinc/12/84/45/711128445.db2.gz YWQGZKRIDVVFHQ-KGLIPLIRSA-N 1 0 304.394 1.572 20 5 DDBDRO CSCC[C@H]([NH3+])CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000912182465 711207055 /nfs/dbraw/zinc/20/70/55/711207055.db2.gz HJRCZOMTSUQWSU-NSHDSACASA-N 1 0 309.391 1.954 20 5 DDBDRO CC[C@H]1[C@H](CO)CC[N@@H+]1Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000894686701 711238374 /nfs/dbraw/zinc/23/83/74/711238374.db2.gz ARUBDDFGDXGKMP-RYUDHWBXSA-N 1 0 310.350 1.902 20 5 DDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000894803455 711276745 /nfs/dbraw/zinc/27/67/45/711276745.db2.gz YXBQDSBACCSYMK-HUUCEWRRSA-N 1 0 307.398 1.898 20 5 DDBDRO CN1CCN(c2ccc3cnccc3c2[N+](=O)[O-])C[C@H]1CO ZINC000894881681 711306864 /nfs/dbraw/zinc/30/68/64/711306864.db2.gz OTSUZLLBFPBHOR-LBPRGKRZSA-N 1 0 302.334 1.256 20 5 DDBDRO CCC[C@@H]1CN(c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)CC[NH2+]1 ZINC000895058488 711391536 /nfs/dbraw/zinc/39/15/36/711391536.db2.gz LUDKPPBOYIGRGU-MRVPVSSYSA-N 1 0 321.303 1.925 20 5 DDBDRO CC[N@H+]1[C@H](C)CN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)C[C@@H]1C ZINC000895102130 711412884 /nfs/dbraw/zinc/41/28/84/711412884.db2.gz SDTRSFTXENMWOK-PHIMTYICSA-N 1 0 306.366 1.613 20 5 DDBDRO C[C@@H]1[C@@H](Nc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC[N@@H+]1C ZINC000895739552 711591844 /nfs/dbraw/zinc/59/18/44/711591844.db2.gz GWAMZUUMLUEGIS-BDAKNGLRSA-N 1 0 306.322 1.430 20 5 DDBDRO COc1c(O)ccc(C[NH2+][C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)c1[N+](=O)[O-] ZINC000895746346 711594348 /nfs/dbraw/zinc/59/43/48/711594348.db2.gz WFMXFRMPVZFVEU-WCPYMQEGSA-N 1 0 320.345 1.822 20 5 DDBDRO C[NH+](C)CC1(O)CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000913679482 713279768 /nfs/dbraw/zinc/27/97/68/713279768.db2.gz CWMBEKBTMSCBLV-UHFFFAOYSA-N 1 0 321.377 1.052 20 5 DDBDRO O=[N+]([O-])CC[NH2+][C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000905095802 711935071 /nfs/dbraw/zinc/93/50/71/711935071.db2.gz GFGRXRCYLZXBIY-NSHDSACASA-N 1 0 314.183 1.894 20 5 DDBDRO O=[N+]([O-])c1ccccc1CC[NH2+]C[C@H](O)CC1(O)CCCC1 ZINC000905132929 711946741 /nfs/dbraw/zinc/94/67/41/711946741.db2.gz CKZWUVUYKAMGGM-CQSZACIVSA-N 1 0 308.378 1.783 20 5 DDBDRO O=[N+]([O-])CC[NH2+]C[C@H](O)c1cc(Cl)c2c(c1)OCCO2 ZINC000905355720 712013115 /nfs/dbraw/zinc/01/31/15/712013115.db2.gz ZHOCVBCELJXILX-JTQLQIEISA-N 1 0 302.714 1.011 20 5 DDBDRO O=[N+]([O-])CC[NH2+]C[C@@H](CO)Cc1ccccc1Br ZINC000905364906 712016639 /nfs/dbraw/zinc/01/66/39/712016639.db2.gz HDDMKGXUCPGBBX-JTQLQIEISA-N 1 0 317.183 1.466 20 5 DDBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CCN(C)C1 ZINC000906525842 712346839 /nfs/dbraw/zinc/34/68/39/712346839.db2.gz QBSISWZDSPWNJB-AAEUAGOBSA-N 1 0 306.366 1.606 20 5 DDBDRO C[N@@H+]1C[C@H]2CCN(C(=O)c3cc(Cl)c(N)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000908350608 712749436 /nfs/dbraw/zinc/74/94/36/712749436.db2.gz ZUTSADOXPZLUGX-PELKAZGASA-N 1 0 324.768 1.607 20 5 DDBDRO C[C@H](CN1C(=O)N[C@H](C[NH+](C)C)C1=O)c1ccccc1[N+](=O)[O-] ZINC000928999995 713522795 /nfs/dbraw/zinc/52/27/95/713522795.db2.gz AFGVDBPSUDNFHG-ZYHUDNBSSA-N 1 0 320.349 1.180 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000929095230 713544805 /nfs/dbraw/zinc/54/48/05/713544805.db2.gz SLTSOTZPMVTBPP-PHIMTYICSA-N 1 0 320.349 1.629 20 5 DDBDRO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000918698148 713557458 /nfs/dbraw/zinc/55/74/58/713557458.db2.gz XQBANNQWTRXQPD-LBPRGKRZSA-N 1 0 322.365 1.296 20 5 DDBDRO CC[C@H](NCC[N+](=O)[O-])c1ccccc1OCC(=O)N(C)C ZINC000930202513 713777222 /nfs/dbraw/zinc/77/72/22/713777222.db2.gz WTNVJOJQWGVIEH-ZDUSSCGKSA-N 1 0 309.366 1.471 20 5 DDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]([NH+](C)C)[C@@H]1C ZINC000931043511 713989494 /nfs/dbraw/zinc/98/94/94/713989494.db2.gz KQVFMJNVKQMAAN-YWPYICTPSA-N 1 0 320.393 1.946 20 5 DDBDRO COC1(OC)CCN(Cc2ccc(C)c([N+](=O)[O-])c2)C[C@@H]1O ZINC000931631374 714143153 /nfs/dbraw/zinc/14/31/53/714143153.db2.gz DPCXFXYSHJYKNR-AWEZNQCLSA-N 1 0 310.350 1.459 20 5 DDBDRO COC(C)(C)[C@H](C)[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000932368744 714318826 /nfs/dbraw/zinc/31/88/26/714318826.db2.gz AJGLSZNLLFCQHD-NSHDSACASA-N 1 0 321.377 1.887 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)CN2CC[NH2+]C[C@H]2C(F)F)c1 ZINC000923350565 714323153 /nfs/dbraw/zinc/32/31/53/714323153.db2.gz CEAWSHLQXZGKIW-RYUDHWBXSA-N 1 0 301.293 1.167 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CC[C@]2(CCC[NH2+]2)C1 ZINC000923382443 714335455 /nfs/dbraw/zinc/33/54/55/714335455.db2.gz YUIGCLXFOQPYRB-XJKSGUPXSA-N 1 0 321.377 1.162 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1[C@H](C)C[NH2+][C@@H](C)[C@H]1C ZINC000923442172 714356768 /nfs/dbraw/zinc/35/67/68/714356768.db2.gz NINHJKPPAXLQAK-FRRDWIJNSA-N 1 0 320.393 1.912 20 5 DDBDRO Cc1ccc(CNC(=O)N[C@@H]2CC[N@H+](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000923910123 714488229 /nfs/dbraw/zinc/48/82/29/714488229.db2.gz JLDIKBRDZCQZHY-WCQYABFASA-N 1 0 306.366 1.795 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000933438648 714589322 /nfs/dbraw/zinc/58/93/22/714589322.db2.gz BGSBDSMFPFMONP-JQWIXIFHSA-N 1 0 309.370 1.041 20 5 DDBDRO CC[NH+](CC)[C@H]1CCN(C(=O)Cn2c(C)ncc2[N+](=O)[O-])C1 ZINC000933796325 714671835 /nfs/dbraw/zinc/67/18/35/714671835.db2.gz KEVIDJIPZMWKIY-LBPRGKRZSA-N 1 0 309.370 1.042 20 5 DDBDRO Cc1c(CN2CCN(C)CC[N@@H+](C)CC2)cccc1[N+](=O)[O-] ZINC000933995673 714718219 /nfs/dbraw/zinc/71/82/19/714718219.db2.gz GCBQFPAOBUVMLI-UHFFFAOYSA-N 1 0 306.410 1.582 20 5 DDBDRO CN1CCN(Cc2ccc([N+](=O)[O-])cc2F)CC[N@H+](C)CC1 ZINC000933995750 714718240 /nfs/dbraw/zinc/71/82/40/714718240.db2.gz JVZAQAQPRZCCPG-UHFFFAOYSA-N 1 0 310.373 1.413 20 5 DDBDRO C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@@H]3c3cccc([N+](=O)[O-])c3)C[C@H]2C1 ZINC000935693904 715118358 /nfs/dbraw/zinc/11/83/58/715118358.db2.gz DRRDRDRBMWDWKK-OCVGTWLNSA-N 1 0 315.373 1.718 20 5 DDBDRO O=[N+]([O-])c1ccc2ccc(N3CCN4CC[NH2+]C[C@@H]4C3)nc2c1 ZINC001164399148 718832422 /nfs/dbraw/zinc/83/24/22/718832422.db2.gz OZXKNOJQYNJSJV-CQSZACIVSA-N 1 0 313.361 1.237 20 5 DDBDRO COc1cnc(N2CC3(C2)CC[N@H+](CC2CC2)C3)c([N+](=O)[O-])c1 ZINC001164773430 721287537 /nfs/dbraw/zinc/28/75/37/721287537.db2.gz ORUXNORWJISRBF-UHFFFAOYSA-N 1 0 318.377 1.921 20 5 DDBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)c1cnon1 ZINC001020785652 732676094 /nfs/dbraw/zinc/67/60/94/732676094.db2.gz HVSXAMIWBRXAAK-XYPYZODXSA-N 1 0 317.305 1.028 20 5 DDBDRO O=C(/C=C/c1ccc[nH]1)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001126238620 738743955 /nfs/dbraw/zinc/74/39/55/738743955.db2.gz NWFKMXKHWOLJKM-VMPITWQZSA-N 1 0 314.345 1.842 20 5 DDBDRO O=C(N[C@H]1C[C@@H]([NH2+]CCc2ccccc2F)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001022063615 734368215 /nfs/dbraw/zinc/36/82/15/734368215.db2.gz GBZGEMRSJJVGIA-QVHKTLOISA-N 1 0 321.352 1.270 20 5 DDBDRO C[C@@H](c1nnc(N2CCC(C)([NH+]3CCCC3)CC2)n1C)[N+](=O)[O-] ZINC001121296336 782447472 /nfs/dbraw/zinc/44/74/72/782447472.db2.gz HRHCYSRFMBZCJW-LBPRGKRZSA-N 1 0 322.413 1.608 20 5 DDBDRO O=C(NCC[NH2+]CCCc1cccc(F)c1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126936236 742830646 /nfs/dbraw/zinc/83/06/46/742830646.db2.gz CCRLXNSSCSXZTK-ZIAGYGMSSA-N 1 0 309.341 1.129 20 5 DDBDRO COc1c(O)ccc(CN[C@@H]2CC[C@H]3C[N@H+](C)C[C@H]32)c1[N+](=O)[O-] ZINC001184387310 744031355 /nfs/dbraw/zinc/03/13/55/744031355.db2.gz IVUBZHDSDNQJDB-YNEHKIRRSA-N 1 0 321.377 1.739 20 5 DDBDRO CC(C)C[C@@H](C[NH+](C)C)Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC001187823936 744613174 /nfs/dbraw/zinc/61/31/74/744613174.db2.gz KYUCTTKKSGSSHS-JTQLQIEISA-N 1 0 309.370 1.477 20 5 DDBDRO C[NH2+]C[C@H](O)CN(C)C(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC001122180763 745223423 /nfs/dbraw/zinc/22/34/23/745223423.db2.gz FHYCVDZIHBZOLG-LBPRGKRZSA-N 1 0 309.366 1.371 20 5 DDBDRO C[C@H](CCCC(C)(C)O)Nc1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-] ZINC001168712974 747314355 /nfs/dbraw/zinc/31/43/55/747314355.db2.gz WUTLWDVQDVGQCR-SNVBAGLBSA-N 1 0 323.397 1.813 20 5 DDBDRO Cc1cc(F)ccc1C[NH+]1CC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001031662526 747337347 /nfs/dbraw/zinc/33/73/47/747337347.db2.gz GFGCFGYESMHAQJ-HUUCEWRRSA-N 1 0 321.352 1.347 20 5 DDBDRO O=C(NCC1C[NH+](CC2CCCCCC2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001031663297 747338432 /nfs/dbraw/zinc/33/84/32/747338432.db2.gz WDGZWYFVDJTBQO-HUUCEWRRSA-N 1 0 309.410 1.670 20 5 DDBDRO COCCCCC(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001124573427 748335305 /nfs/dbraw/zinc/33/53/05/748335305.db2.gz UNPYJSOCOGWUSQ-UHFFFAOYSA-N 1 0 309.366 1.617 20 5 DDBDRO O=C(c1c(F)cccc1[N+](=O)[O-])N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000876841086 749336104 /nfs/dbraw/zinc/33/61/04/749336104.db2.gz JXQWNRKYKQWWPV-HNNXBMFYSA-N 1 0 307.325 1.950 20 5 DDBDRO C[NH+](C)CCC(=O)NC/C=C/CNc1cccc(F)c1[N+](=O)[O-] ZINC001107490148 750046430 /nfs/dbraw/zinc/04/64/30/750046430.db2.gz TXXALFNVZRGGQZ-ONEGZZNKSA-N 1 0 324.356 1.770 20 5 DDBDRO COCCC[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCCC1 ZINC001115530510 751046327 /nfs/dbraw/zinc/04/63/27/751046327.db2.gz AZJFGDPXJAKAQR-CHWSQXEVSA-N 1 0 313.398 1.097 20 5 DDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@H]2CCC[C@@H](C1)[N@H+]2CC1CCC1 ZINC001039583647 762128762 /nfs/dbraw/zinc/12/87/62/762128762.db2.gz UDMRMHLXVALUHN-LXTVHRRPSA-N 1 0 307.394 1.517 20 5 DDBDRO O=C(c1ccco1)N1C[C@@H]2C[C@]2([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168964156 762157747 /nfs/dbraw/zinc/15/77/47/762157747.db2.gz RDHAJNZGBYERCS-JFILPPLUSA-N 1 0 319.361 1.529 20 5 DDBDRO O=C1COc2ccc(C[NH2+][C@H]3CC[C@H](C[N+](=O)[O-])C3)cc2N1 ZINC001169003036 762172588 /nfs/dbraw/zinc/17/25/88/762172588.db2.gz MNNSVTJKPOSIQT-RYUDHWBXSA-N 1 0 305.334 1.553 20 5 DDBDRO COC(=O)[C@H]1C2CCC(CC2)[C@@H]1[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169001245 762172721 /nfs/dbraw/zinc/17/27/21/762172721.db2.gz DXSVZDZGDRFSPP-GVGCQQLMSA-N 1 0 310.394 1.999 20 5 DDBDRO C[N@H+](CCNC(=O)OC(C)(C)C)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169006732 762175084 /nfs/dbraw/zinc/17/50/84/762175084.db2.gz JFUJKXQMEJKKLJ-VXGBXAGGSA-N 1 0 301.387 1.888 20 5 DDBDRO CCOC[C@@H]1C[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)Cc2c1cnn2C ZINC001169019489 762199878 /nfs/dbraw/zinc/19/98/78/762199878.db2.gz ISKAINDYZWOEGU-IHRRRGAJSA-N 1 0 322.409 1.801 20 5 DDBDRO O=C([C@@H]1CCC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1)N1CCCC1 ZINC001169022488 762201198 /nfs/dbraw/zinc/20/11/98/762201198.db2.gz CEVKWGRZQQAQID-RBSFLKMASA-N 1 0 309.410 1.766 20 5 DDBDRO Cc1cc(N([C@H]2CC[NH2+]C2)[C@H]2CC[C@@H](C[N+](=O)[O-])C2)ncn1 ZINC001169052524 762207955 /nfs/dbraw/zinc/20/79/55/762207955.db2.gz GWLUPOWYJZASGJ-RDBSUJKOSA-N 1 0 305.382 1.399 20 5 DDBDRO COc1cc(N2CC[NH+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)ccn1 ZINC001169052519 762207986 /nfs/dbraw/zinc/20/79/86/762207986.db2.gz GWERHMZDROXNGH-UONOGXRCSA-N 1 0 320.393 1.658 20 5 DDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2CC[C@@H](N3CCOCC3)[C@@H](F)C2)C1 ZINC001169055294 762209618 /nfs/dbraw/zinc/20/96/18/762209618.db2.gz PBRGGDSERKFASP-ZQDZILKHSA-N 1 0 315.389 1.176 20 5 DDBDRO COC(=O)c1ncc([N+](=O)[O-])c(C)c1-n1ccc([C@@H](C)[NH3+])n1 ZINC001169231904 762293215 /nfs/dbraw/zinc/29/32/15/762293215.db2.gz WBSZSRLMWCQGMC-MRVPVSSYSA-N 1 0 305.294 1.290 20 5 DDBDRO O=[N+]([O-])c1cnc(NC[C@H]2COCC[NH2+]2)c(C(F)(F)F)c1 ZINC001170042204 764333144 /nfs/dbraw/zinc/33/31/44/764333144.db2.gz ALVMRWRFCWXSCO-ZETCQYMHSA-N 1 0 306.244 1.409 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@H](C)[C@H]2C[NH2+]CCO2)c1 ZINC001170575828 768241097 /nfs/dbraw/zinc/24/10/97/768241097.db2.gz SBGFBYORSCKABM-NOZJJQNGSA-N 1 0 309.322 1.170 20 5 DDBDRO COc1ccc(C[C@H](C)[NH2+]C[C@@H]2CCNC(=O)C2)c([N+](=O)[O-])c1 ZINC001170299760 766228114 /nfs/dbraw/zinc/22/81/14/766228114.db2.gz WLWONTQNMPIPMX-NWDGAFQWSA-N 1 0 321.377 1.650 20 5 DDBDRO COCC(COC)[NH2+][C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170304518 766230213 /nfs/dbraw/zinc/23/02/13/766230213.db2.gz DDYWNCHVFVPPCI-LLVKDONJSA-N 1 0 312.366 1.785 20 5 DDBDRO COc1ccc(C[C@@H](C)[NH2+][C@H]2CCC(=O)N(C)C2)c([N+](=O)[O-])c1 ZINC001170308795 766259304 /nfs/dbraw/zinc/25/93/04/766259304.db2.gz PCCCETFXJDWKER-YPMHNXCESA-N 1 0 321.377 1.745 20 5 DDBDRO CN(CC[NH3+])CCNc1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001170502454 767619493 /nfs/dbraw/zinc/61/94/93/767619493.db2.gz XGEVIUZHNGHGAI-UHFFFAOYSA-N 1 0 306.288 1.916 20 5 DDBDRO [NH3+]CCOCCOCCNc1ccc([N+](=O)[O-])c2cnccc12 ZINC001170508423 767653318 /nfs/dbraw/zinc/65/33/18/767653318.db2.gz STQZYXHVJXZARI-UHFFFAOYSA-N 1 0 320.349 1.547 20 5 DDBDRO O=C(CCc1cn[nH]c1)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001135045808 771297680 /nfs/dbraw/zinc/29/76/80/771297680.db2.gz KTSJUPCXCRBKTF-UHFFFAOYSA-N 1 0 317.349 1.157 20 5 DDBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N[C@@H]1CC[NH2+]C[C@H]1C(F)(F)F ZINC001160738171 772674941 /nfs/dbraw/zinc/67/49/41/772674941.db2.gz JTQNDBVKHVBVOJ-RKDXNWHRSA-N 1 0 320.271 1.489 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(NCCCNC(=O)C[NH+]2CCCC2)n1 ZINC001094434377 775858534 /nfs/dbraw/zinc/85/85/34/775858534.db2.gz GCERXGANFAMVEP-UHFFFAOYSA-N 1 0 321.381 1.312 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@@H](CO)[C@@H]1CCOC1)CC2 ZINC001172901049 776915030 /nfs/dbraw/zinc/91/50/30/776915030.db2.gz FVYKNQMFYWRFEV-INMHGKMJSA-N 1 0 320.389 1.829 20 5 DDBDRO [NH3+]CCc1nnn([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)n1 ZINC001172902025 776915672 /nfs/dbraw/zinc/91/56/72/776915672.db2.gz TWXSQQFHGQDBIB-GFCCVEGCSA-N 1 0 302.338 1.203 20 5 DDBDRO O=C1C[C@@H](C[NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCN1 ZINC001172896701 776928971 /nfs/dbraw/zinc/92/89/71/776928971.db2.gz RHDIVAMLJCACMJ-WFASDCNBSA-N 1 0 317.389 1.958 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CCOC(C)=O)c1F ZINC001173186793 777035307 /nfs/dbraw/zinc/03/53/07/777035307.db2.gz UTHAMSRYNLRUDS-SECBINFHSA-N 1 0 314.313 1.826 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)n2cnc(CC[NH3+])n2)c1F ZINC001173180188 777035672 /nfs/dbraw/zinc/03/56/72/777035672.db2.gz UCZCQPYEHNAHJG-VIFPVBQESA-N 1 0 323.328 1.639 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CC(=O)CCO)c1F ZINC001173192535 777037645 /nfs/dbraw/zinc/03/76/45/777037645.db2.gz QNCAKHNJVRAPEM-VIFPVBQESA-N 1 0 314.313 1.215 20 5 DDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CC(=O)N2CCC[C@H]2C1 ZINC001173235335 777064947 /nfs/dbraw/zinc/06/49/47/777064947.db2.gz WEURANYEBVCLFG-WFASDCNBSA-N 1 0 303.362 1.832 20 5 DDBDRO CC[N@H+](C)[C@H]1CCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001177044219 778406459 /nfs/dbraw/zinc/40/64/59/778406459.db2.gz PYRMDUIGBRRLBD-DOMZBBRYSA-N 1 0 320.393 1.948 20 5 DDBDRO Cc1cncc([N+](=O)[O-])c1NC1CCN(CC[NH+](C)C)CC1 ZINC001326359615 861303876 /nfs/dbraw/zinc/30/38/76/861303876.db2.gz QERUEJLQAUKVQA-UHFFFAOYSA-N 1 0 307.398 1.158 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H]2CCC[NH2+]C[C@H]2C)n1 ZINC001155030739 861661589 /nfs/dbraw/zinc/66/15/89/861661589.db2.gz RLXKRUKRAXQXGC-GHMZBOCLSA-N 1 0 322.365 1.824 20 5 DDBDRO Cc1cc(C(=O)N2CC([NH2+]C3CCOCC3)C2)cc([N+](=O)[O-])c1 ZINC001155332180 861971287 /nfs/dbraw/zinc/97/12/87/861971287.db2.gz RWWKUCFNGFXLHD-UHFFFAOYSA-N 1 0 319.361 1.496 20 5 DDBDRO Nc1cc([N+](=O)[O-])cnc1NC[C@@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001155595783 862272509 /nfs/dbraw/zinc/27/25/09/862272509.db2.gz CYUDLUADJQQKNM-YGRLFVJLSA-N 1 0 307.354 1.143 20 5 DDBDRO CC(C)(C)C(=O)C(=O)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001155899530 862540598 /nfs/dbraw/zinc/54/05/98/862540598.db2.gz PNWLWKMBLNZLHS-UHFFFAOYSA-N 1 0 321.377 1.806 20 5 DDBDRO Cc1c[nH]cc1C(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001151025805 862581856 /nfs/dbraw/zinc/58/18/56/862581856.db2.gz SOEILHJRBLIBOJ-UHFFFAOYSA-N 1 0 308.363 1.812 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCCNC(=O)CCC1CC1 ZINC001155958107 862595561 /nfs/dbraw/zinc/59/55/61/862595561.db2.gz PHOOCEOGYJDJKE-UHFFFAOYSA-N 1 0 309.370 1.114 20 5 DDBDRO CCN(C(=O)CCn1cc([N+](=O)[O-])nc1C)C1CC[NH2+]CC1 ZINC001122496531 858852711 /nfs/dbraw/zinc/85/27/11/858852711.db2.gz XOJJRXLFBRPYAD-UHFFFAOYSA-N 1 0 309.370 1.090 20 5 DDBDRO Cc1ccc(NC(=O)[C@@H]2C[N@H+]3CCN2C[C@H]3C)cc1[N+](=O)[O-] ZINC001123474146 859251397 /nfs/dbraw/zinc/25/13/97/859251397.db2.gz YRWUPTCNQVKGHP-RISCZKNCSA-N 1 0 304.350 1.230 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC(C)(C)[NH2+]C(C)(C)C1 ZINC001124023502 859532215 /nfs/dbraw/zinc/53/22/15/859532215.db2.gz QTGLLEXMSQMCJO-UHFFFAOYSA-N 1 0 309.370 1.321 20 5 DDBDRO C[N+](C)(C)CCCO[C@H]1CCn2c1nc1ccccc1c2=O ZINC001224622180 881476150 /nfs/dbraw/zinc/47/61/50/881476150.db2.gz GENGAIWXWDJPRL-HNNXBMFYSA-N 1 0 302.398 1.954 20 5 DDBDRO C[NH2+][C@H](C)CCNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC001326074965 861084041 /nfs/dbraw/zinc/08/40/41/861084041.db2.gz MVMLQLPCLSPDBM-SNVBAGLBSA-N 1 0 305.338 1.059 20 5 DDBDRO COC(=O)[C@@H](CCC[NH3+])Nc1ccc2ccc([N+](=O)[O-])cc2n1 ZINC001157115071 863591993 /nfs/dbraw/zinc/59/19/93/863591993.db2.gz VUIDKGNLPPEKTL-GFCCVEGCSA-N 1 0 318.333 1.835 20 5 DDBDRO COC(=O)[C@@H](CO[C@H](C)C[N+](C)(C)C)NC(=O)OC(C)(C)C ZINC001225129869 881696468 /nfs/dbraw/zinc/69/64/68/881696468.db2.gz ZMTLTTIMHHPSTG-VXGBXAGGSA-O 1 0 319.422 1.164 20 5 DDBDRO COc1cc2ncnc(N3CC[C@](F)(C[NH3+])C3)c2cc1[N+](=O)[O-] ZINC001157813025 864164253 /nfs/dbraw/zinc/16/42/53/864164253.db2.gz OCRUNZWLFJLAJF-AWEZNQCLSA-N 1 0 321.312 1.424 20 5 DDBDRO CCOC(=O)c1ccnc(N2CC[C@@](F)(C[NH3+])C2)c1[N+](=O)[O-] ZINC001157816069 864167917 /nfs/dbraw/zinc/16/79/17/864167917.db2.gz AWQSWMIYMUEGLK-CYBMUJFWSA-N 1 0 312.301 1.044 20 5 DDBDRO CN1CCN(C(=[NH2+])Nc2cc([N+](=O)[O-])c3cc[nH]c3n2)CC1 ZINC001157914888 864253998 /nfs/dbraw/zinc/25/39/98/864253998.db2.gz GLBMGCPTVLOUIT-UHFFFAOYSA-N 1 0 303.326 1.065 20 5 DDBDRO [NH3+][C@@H]1CN(c2ncc([N+](=O)[O-])c3ccccc32)CC12COC2 ZINC001158762163 864885467 /nfs/dbraw/zinc/88/54/67/864885467.db2.gz KRXLVBGBFJPPLN-CYBMUJFWSA-N 1 0 300.318 1.307 20 5 DDBDRO CC(C)CC[N@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001160090426 865675818 /nfs/dbraw/zinc/67/58/18/865675818.db2.gz FRDWGGPXWKBBCP-HUUCEWRRSA-N 1 0 309.410 1.836 20 5 DDBDRO C[NH2+][C@H](C)CCNS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC001332325761 865760921 /nfs/dbraw/zinc/76/09/21/865760921.db2.gz RRELGCHGHJUBDR-SNVBAGLBSA-N 1 0 315.395 1.488 20 5 DDBDRO C[C@@]12COC[C@@H]1CN(Cn1c(=O)oc3cccc([N+](=O)[O-])c31)C2 ZINC001333720832 866962536 /nfs/dbraw/zinc/96/25/36/866962536.db2.gz CIRLVRIYLLHSCQ-ZUZCIYMTSA-N 1 0 319.317 1.429 20 5 DDBDRO CC(C)Oc1nc(NC[C@H]2C[NH2+]CC(C)(C)O2)ccc1[N+](=O)[O-] ZINC001161956621 867141684 /nfs/dbraw/zinc/14/16/84/867141684.db2.gz MQHXDUTZJBAWAE-LLVKDONJSA-N 1 0 324.381 1.956 20 5 DDBDRO C[C@@H](CN1CC[NH2+]CC1)Nc1ncnc2sc([N+](=O)[O-])cc21 ZINC001162092607 867243189 /nfs/dbraw/zinc/24/31/89/867243189.db2.gz ISZFRUATPNCURG-VIFPVBQESA-N 1 0 322.394 1.305 20 5 DDBDRO COC(=O)c1cc(C)ccc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001225878569 882083329 /nfs/dbraw/zinc/08/33/29/882083329.db2.gz OEXVEVGSPFYPNS-GFCCVEGCSA-N 1 0 310.370 1.144 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])cc(NC[C@H]2CCC[NH2+]C[C@H]2C)n1 ZINC001162452495 867544217 /nfs/dbraw/zinc/54/42/17/867544217.db2.gz FOYUQHMDJYDMHP-GHMZBOCLSA-N 1 0 322.365 1.824 20 5 DDBDRO CS(=O)(=O)c1ccc(NC[C@@H]2C[C@H](F)C[NH2+]2)c([N+](=O)[O-])c1 ZINC001162481088 867564719 /nfs/dbraw/zinc/56/47/19/867564719.db2.gz HCGQDXZFDCCHDT-IUCAKERBSA-N 1 0 317.342 1.110 20 5 DDBDRO O=[N+]([O-])c1cc(Cl)ncc1NCc1nnn2c1C[NH2+]CCC2 ZINC001162973885 867962732 /nfs/dbraw/zinc/96/27/32/867962732.db2.gz PZMSOAJXQQQMLW-UHFFFAOYSA-N 1 0 323.744 1.340 20 5 DDBDRO O=[N+]([O-])c1cc(NC[C@@]23C[NH2+][C@@H](CO2)C3)cc2cccnc21 ZINC001163203559 868211144 /nfs/dbraw/zinc/21/11/44/868211144.db2.gz YRFPVTCRFZYZAZ-DOMZBBRYSA-N 1 0 300.318 1.686 20 5 DDBDRO O=[N+]([O-])c1cccc2c1ccnc2N[C@H]1C[NH2+][C@@H]2CCO[C@@H]21 ZINC001163335972 868363271 /nfs/dbraw/zinc/36/32/71/868363271.db2.gz FWLZFPGMNLIQKS-DYEKYZERSA-N 1 0 300.318 1.684 20 5 DDBDRO O=C(NCCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1csnn1 ZINC001163452406 868460689 /nfs/dbraw/zinc/46/06/89/868460689.db2.gz YAMINZVAPIFTRU-UHFFFAOYSA-N 1 0 321.362 1.356 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N1CCC[C@](C)(C[NH3+])CC1 ZINC001164242869 869051438 /nfs/dbraw/zinc/05/14/38/869051438.db2.gz SLRZRTSOPHZORE-HNNXBMFYSA-N 1 0 322.365 1.732 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@H]1CC12CCOCC2 ZINC001336822268 869164534 /nfs/dbraw/zinc/16/45/34/869164534.db2.gz XOXRUKZVIIDVON-WFASDCNBSA-N 1 0 322.361 1.493 20 5 DDBDRO Cc1cncc([N+](=O)[O-])c1N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC001336836580 869174398 /nfs/dbraw/zinc/17/43/98/869174398.db2.gz IOTRVKKINRNRJA-YPMHNXCESA-N 1 0 308.407 1.712 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001165236882 869455473 /nfs/dbraw/zinc/45/54/73/869455473.db2.gz ODUZPUTUXXNTTK-HNNXBMFYSA-N 1 0 320.349 1.356 20 5 DDBDRO O=[N+]([O-])c1cccc2ncnc(N3CCC(C4C[NH2+]C4)CC3)c21 ZINC001165411057 869577163 /nfs/dbraw/zinc/57/71/63/869577163.db2.gz BTKOGOAUSCSOPI-UHFFFAOYSA-N 1 0 313.361 1.974 20 5 DDBDRO [NH3+]C1([C@H]2CN(c3cc([N+](=O)[O-])c4cc[nH]c4n3)C[C@@H]2CF)CC1 ZINC001165434731 869597993 /nfs/dbraw/zinc/59/79/93/869597993.db2.gz SAUMGWPVKMIKOQ-ONGXEEELSA-N 1 0 319.340 1.984 20 5 DDBDRO COC(C)(C)[C@@H]1CCCN1c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001166792982 870250618 /nfs/dbraw/zinc/25/06/18/870250618.db2.gz XNOWEGKEWHXFHZ-LBPRGKRZSA-N 1 0 321.381 1.465 20 5 DDBDRO Cn1c(C[N+](=O)[O-])nnc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC001339553459 870552519 /nfs/dbraw/zinc/55/25/19/870552519.db2.gz OKRCWAWNDRWBSE-DGCLKSJQSA-N 1 0 320.397 1.045 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2CC[C@@H]3C[N@H+](C)C[C@@H]23)n1 ZINC001339997511 870830690 /nfs/dbraw/zinc/83/06/90/870830690.db2.gz CPOXNOCVLVEBJF-GMTAPVOTSA-N 1 0 320.349 1.529 20 5 DDBDRO CN(C)c1cc[nH+]c(CNC(=O)c2ccc([N+](=O)[O-])cc2N)c1 ZINC001303681366 871148909 /nfs/dbraw/zinc/14/89/09/871148909.db2.gz ZKMPAJRFBOPHTQ-UHFFFAOYSA-N 1 0 315.333 1.568 20 5 DDBDRO Cc1cc(C(=O)NCC[C@@H]2CSCC[NH2+]2)ccc1[N+](=O)[O-] ZINC001340530531 871176662 /nfs/dbraw/zinc/17/66/62/871176662.db2.gz YTLDFLCIWQJVAK-GFCCVEGCSA-N 1 0 309.391 1.728 20 5 DDBDRO C[C@@H]1CC[C@H](NC(=O)CCc2cc(F)ccc2[N+](=O)[O-])C[NH2+]1 ZINC001340716689 871304353 /nfs/dbraw/zinc/30/43/53/871304353.db2.gz DVZPWGOBLDVEAH-MFKMUULPSA-N 1 0 309.341 1.923 20 5 DDBDRO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3cccc([N+](=O)[O-])c3N)[C@H]2C1 ZINC001305873756 871307144 /nfs/dbraw/zinc/30/71/44/871307144.db2.gz KQCIQNDXWBBDPU-DLOVCJGASA-N 1 0 304.350 1.247 20 5 DDBDRO C[C@@H]1CN(c2cc[nH+]cc2)CCN1c1ncc([N+](=O)[O-])c(N)n1 ZINC001307213594 871410358 /nfs/dbraw/zinc/41/03/58/871410358.db2.gz JGGDPCYIBKBFDQ-SNVBAGLBSA-N 1 0 315.337 1.077 20 5 DDBDRO [NH3+]CC[C@@H]1CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC001341121320 871511409 /nfs/dbraw/zinc/51/14/09/871511409.db2.gz FTNPBACXTCNIQS-LLVKDONJSA-N 1 0 309.391 1.884 20 5 DDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001341232179 871569459 /nfs/dbraw/zinc/56/94/59/871569459.db2.gz IYBZZWHPFSANBM-MRXNPFEDSA-N 1 0 303.362 1.882 20 5 DDBDRO CSCC[C@@H]([NH3+])C(=O)NC[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001341428328 871656995 /nfs/dbraw/zinc/65/69/95/871656995.db2.gz INHYQIYMLYYXDW-CMPLNLGQSA-N 1 0 311.407 1.895 20 5 DDBDRO C[NH+](C)[C@H]1CCCC[C@H]1Nc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC001318371611 871966563 /nfs/dbraw/zinc/96/65/63/871966563.db2.gz PPQNVFBSLSVCPW-YPMHNXCESA-N 1 0 306.366 1.978 20 5 DDBDRO CC(C)(C(=O)NCC[NH+]1CC=CC1)c1ccc([N+](=O)[O-])cc1 ZINC001318891110 872329917 /nfs/dbraw/zinc/32/99/17/872329917.db2.gz SMSXESSEJWHKGS-UHFFFAOYSA-N 1 0 303.362 1.860 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]([NH2+]CCO)C2)c1 ZINC001344368952 872988302 /nfs/dbraw/zinc/98/83/02/872988302.db2.gz OOTTZFFCUUXVTG-GFCCVEGCSA-N 1 0 307.350 1.090 20 5 DDBDRO CN(C(=O)Cc1ccccc1[N+](=O)[O-])C1(C[NH3+])CCOCC1 ZINC001345360282 873373641 /nfs/dbraw/zinc/37/36/41/873373641.db2.gz RPBSBQDGVCWRQT-UHFFFAOYSA-N 1 0 307.350 1.104 20 5 DDBDRO [NH3+][C@H]1CCCC[C@@H]1C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC001345992764 873585888 /nfs/dbraw/zinc/58/58/88/873585888.db2.gz JWYIJOUYNGBHLK-RYUDHWBXSA-N 1 0 306.366 1.640 20 5 DDBDRO C[N@@H+]1CCCC[C@H]1CNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001347505018 874165553 /nfs/dbraw/zinc/16/55/53/874165553.db2.gz UOOJJDVBKDPNPE-UONOGXRCSA-N 1 0 307.350 1.229 20 5 DDBDRO CC[N@@H+]1CC[C@@H](Oc2cc([N+](=O)[O-])sc2C(=O)OC)C1 ZINC001227541852 883070327 /nfs/dbraw/zinc/07/03/27/883070327.db2.gz PPPLISHBSWPJGD-MRVPVSSYSA-N 1 0 300.336 1.916 20 5 DDBDRO O=C(NC[C@@H]1C[NH2+]CCC1(F)F)c1cc(F)ccc1[N+](=O)[O-] ZINC001353175369 877161889 /nfs/dbraw/zinc/16/18/89/877161889.db2.gz OYQNRGWHLXEWEF-QMMMGPOBSA-N 1 0 317.267 1.709 20 5 DDBDRO COC(=O)c1cc(OC)c(O[C@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001218279915 877441843 /nfs/dbraw/zinc/44/18/43/877441843.db2.gz VLQVCCOLIVTKOT-JTQLQIEISA-N 1 0 310.306 1.521 20 5 DDBDRO CCOC(=O)Cc1ccc([N+](=O)[O-])c(O[C@H]2CCC[NH2+]C2)c1 ZINC001218286327 877444892 /nfs/dbraw/zinc/44/48/92/877444892.db2.gz FYZWFYOILNULOY-LBPRGKRZSA-N 1 0 308.334 1.831 20 5 DDBDRO CNC(=O)c1ccc(N[C@@H]2CC[C@H]3C[N@H+](C)C[C@@H]32)c([N+](=O)[O-])c1 ZINC001354400839 877953318 /nfs/dbraw/zinc/95/33/18/877953318.db2.gz LZAATGFZRANWCD-RWMBFGLXSA-N 1 0 318.377 1.707 20 5 DDBDRO O=[N+]([O-])c1cnc(N2CCC([NH2+]C3CCOCC3)CC2)nc1 ZINC001354484214 878009890 /nfs/dbraw/zinc/00/98/90/878009890.db2.gz BPQVGNOGNUGDFH-UHFFFAOYSA-N 1 0 307.354 1.122 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC001355200745 878460378 /nfs/dbraw/zinc/46/03/78/878460378.db2.gz YKTRHPQRFHRZGL-INIZCTEOSA-N 1 0 319.361 1.962 20 5 DDBDRO C[C@@H]1CCC[N@@H+]1CCNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC001355313201 878496124 /nfs/dbraw/zinc/49/61/24/878496124.db2.gz QILVMVUTVYXPOD-CYBMUJFWSA-N 1 0 320.393 1.921 20 5 DDBDRO O=C(COc1cccc([N+](=O)[O-])c1)NC1(C2CC[NH2+]CC2)CC1 ZINC001355462755 878566505 /nfs/dbraw/zinc/56/65/05/878566505.db2.gz ABUWSLZKLDPMCF-UHFFFAOYSA-N 1 0 319.361 1.622 20 5 DDBDRO C[C@@H](OC(=O)C[C@@H](O)C[N+](C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC001223430362 880959778 /nfs/dbraw/zinc/95/97/78/880959778.db2.gz OPZFVQPTJILBLH-BXUZGUMPSA-N 1 0 311.358 1.656 20 5 DDBDRO COc1ccc(COCC[N@H+]2CC[C@@H](OC)C2)cc1[N+](=O)[O-] ZINC001223647546 881044015 /nfs/dbraw/zinc/04/40/15/881044015.db2.gz CYUFTEZVJWTGQK-CYBMUJFWSA-N 1 0 310.350 1.841 20 5 DDBDRO COc1ccc(CO[C@@H](C)CN2CCOCC2)cc1[N+](=O)[O-] ZINC001223651404 881044574 /nfs/dbraw/zinc/04/45/74/881044574.db2.gz WXZNVYDRWRTFNU-LBPRGKRZSA-N 1 0 310.350 1.841 20 5 DDBDRO CC(C)Cc1cc(O)ccc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001230207317 884375810 /nfs/dbraw/zinc/37/58/10/884375810.db2.gz GJQSIPPLPBICBL-OAHLLOKOSA-O 1 0 310.414 1.953 20 5 DDBDRO COc1ccc(C[C@@H](C)N[C@@H]2C[NH2+]CC23CC3)c([N+](=O)[O-])c1 ZINC001246136298 892432935 /nfs/dbraw/zinc/43/29/35/892432935.db2.gz WGQKOCHSBURVSX-IAQYHMDHSA-N 1 0 305.378 1.876 20 5 DDBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)NC[C@@H]1CCCCC[NH2+]1 ZINC001262578910 900258690 /nfs/dbraw/zinc/25/86/90/900258690.db2.gz BMGKHLUABHVAME-AWEZNQCLSA-N 1 0 320.393 1.969 20 5 DDBDRO C[C@@H](CNC(=O)NC[C@H]1CCC[NH2+]C1)c1ccccc1[N+](=O)[O-] ZINC001262583697 900261786 /nfs/dbraw/zinc/26/17/86/900261786.db2.gz GTEULCNBQXGXEY-STQMWFEESA-N 1 0 320.393 1.997 20 5 DDBDRO CO[C@@H]1C[C@@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1(C)C ZINC000451511606 231115177 /nfs/dbraw/zinc/11/51/77/231115177.db2.gz WSFDJDANLDWEBA-KCPJHIHWSA-N 1 0 324.377 1.738 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCCC[C@H]1CCO ZINC000249524703 282166437 /nfs/dbraw/zinc/16/64/37/282166437.db2.gz RRXQJFBHQZREMB-KBPBESRZSA-N 1 0 324.377 1.571 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCCC[C@H]1CCO ZINC000249524706 282166443 /nfs/dbraw/zinc/16/64/43/282166443.db2.gz RRXQJFBHQZREMB-UONOGXRCSA-N 1 0 324.377 1.571 20 5 DDBDRO O=C(NC[C@H]1CCC[N@H+]1CCCO)c1cccc([N+](=O)[O-])c1 ZINC000452343751 231353427 /nfs/dbraw/zinc/35/34/27/231353427.db2.gz BPJNGAHNVUZXLA-CQSZACIVSA-N 1 0 307.350 1.171 20 5 DDBDRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000278219137 214030666 /nfs/dbraw/zinc/03/06/66/214030666.db2.gz JDYHICWFCBXLAF-CABZTGNLSA-N 1 0 311.313 1.369 20 5 DDBDRO CC[C@H](C)[NH+]1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000450863837 529701010 /nfs/dbraw/zinc/70/10/10/529701010.db2.gz UJCZCUOEESVMTA-NSHDSACASA-N 1 0 304.354 1.558 20 5 DDBDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000177507524 282257180 /nfs/dbraw/zinc/25/71/80/282257180.db2.gz ZTPRUXFADNMRPW-OLZOCXBDSA-N 1 0 321.377 1.963 20 5 DDBDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000177507493 282258690 /nfs/dbraw/zinc/25/86/90/282258690.db2.gz ZTPRUXFADNMRPW-STQMWFEESA-N 1 0 321.377 1.963 20 5 DDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000450823685 529932712 /nfs/dbraw/zinc/93/27/12/529932712.db2.gz CVJDUTMZJDVWLJ-YOGCLGLASA-N 1 0 318.377 1.992 20 5 DDBDRO C[N@@H+]1CCC[C@@H](CCNC(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000458204265 530054633 /nfs/dbraw/zinc/05/46/33/530054633.db2.gz YUJPZSKCYIOVJJ-AWEZNQCLSA-N 1 0 305.378 1.985 20 5 DDBDRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000299536853 530055724 /nfs/dbraw/zinc/05/57/24/530055724.db2.gz UMPSGJMTUYRJJO-OAHLLOKOSA-N 1 0 318.377 1.338 20 5 DDBDRO COC[C@@H](CO)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000279615458 215007884 /nfs/dbraw/zinc/00/78/84/215007884.db2.gz AGLBAJPOFRLEFT-LLVKDONJSA-N 1 0 306.318 1.952 20 5 DDBDRO Cc1cc(S(=O)(=O)N2CCC[C@@H]([NH3+])C2)c(C)cc1[N+](=O)[O-] ZINC000579258946 422738083 /nfs/dbraw/zinc/73/80/83/422738083.db2.gz DZLQDSHLOSYGRC-LLVKDONJSA-N 1 0 313.379 1.323 20 5 DDBDRO C[C@@H](CN1CCOCC1)[N@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000279785215 215143367 /nfs/dbraw/zinc/14/33/67/215143367.db2.gz UWXOSIBUIBNCBP-XJKSGUPXSA-N 1 0 323.393 1.281 20 5 DDBDRO CCC([NH3+])(CC)CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000133479967 185988860 /nfs/dbraw/zinc/98/88/60/185988860.db2.gz XNURNDMWYSMLSF-UHFFFAOYSA-N 1 0 315.395 1.532 20 5 DDBDRO COCC[N@H+](C)CCNC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000149221623 186048569 /nfs/dbraw/zinc/04/85/69/186048569.db2.gz GWQXEOJATVVJEF-UHFFFAOYSA-N 1 0 315.757 1.556 20 5 DDBDRO Cc1nn(C)c(C(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)c1[N+](=O)[O-] ZINC000287136199 219337598 /nfs/dbraw/zinc/33/75/98/219337598.db2.gz MZVULMCHDULCAI-RYUDHWBXSA-N 1 0 321.381 1.336 20 5 DDBDRO CC[N@@H+]1CCC[C@H]1CNc1nc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000287185896 219366705 /nfs/dbraw/zinc/36/67/05/219366705.db2.gz ZTZHNFFVWLFDRG-JTQLQIEISA-N 1 0 308.338 1.673 20 5 DDBDRO C[C@@]1(C(=O)NCCNc2ccccc2[N+](=O)[O-])CCCC[NH2+]1 ZINC000237498260 186297686 /nfs/dbraw/zinc/29/76/86/186297686.db2.gz KYMMVXWJMFYCOK-HNNXBMFYSA-N 1 0 306.366 1.655 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H](C)CC[NH+](C)C ZINC000265986219 186349181 /nfs/dbraw/zinc/34/91/81/186349181.db2.gz HJIOODRXCAGHPJ-LLVKDONJSA-N 1 0 315.395 1.522 20 5 DDBDRO COc1cc(C(=O)NCC[N@H+](C)C2CC2)cc([N+](=O)[O-])c1OC ZINC000265984245 186348154 /nfs/dbraw/zinc/34/81/54/186348154.db2.gz ZVCIUCOKGDOOSH-UHFFFAOYSA-N 1 0 323.349 1.436 20 5 DDBDRO C[C@@H](CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)[NH+](C)C ZINC000033092950 352288624 /nfs/dbraw/zinc/28/86/24/352288624.db2.gz BRZWZHKLYZWGAN-LBPRGKRZSA-N 1 0 320.393 1.875 20 5 DDBDRO O=C(c1ccc([N+](=O)[O-])o1)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000047633010 352505647 /nfs/dbraw/zinc/50/56/47/352505647.db2.gz NBJFFDBPROBEAA-LBPRGKRZSA-N 1 0 323.349 1.515 20 5 DDBDRO C[C@H](C[NH+](C)C)NC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000358535543 299190412 /nfs/dbraw/zinc/19/04/12/299190412.db2.gz XFPUTYGKXKDZGB-LLVKDONJSA-N 1 0 324.385 1.088 20 5 DDBDRO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000051870778 352595361 /nfs/dbraw/zinc/59/53/61/352595361.db2.gz KLZHIPBVCYPNMJ-UHFFFAOYSA-N 1 0 301.306 1.280 20 5 DDBDRO CC[N@H+](C)C[C@@H]1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000072860137 191242244 /nfs/dbraw/zinc/24/22/44/191242244.db2.gz WSLXWTJMPNKUCC-ZDUSSCGKSA-N 1 0 320.393 1.807 20 5 DDBDRO CCN1CC[NH+](C[C@H](C)CNc2ccc([N+](=O)[O-])cn2)CC1 ZINC000060380146 352869438 /nfs/dbraw/zinc/86/94/38/352869438.db2.gz MDJQUGRPNNZXJH-CYBMUJFWSA-N 1 0 307.398 1.675 20 5 DDBDRO CCN1CC[NH+](C[C@H](C)CNc2ccncc2[N+](=O)[O-])CC1 ZINC000060380152 352870036 /nfs/dbraw/zinc/87/00/36/352870036.db2.gz MMESHNQJVOFVTO-CYBMUJFWSA-N 1 0 307.398 1.675 20 5 DDBDRO O=[N+]([O-])c1cccc(CN2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000057885871 352833415 /nfs/dbraw/zinc/83/34/15/352833415.db2.gz HZWYXTSAWXEEJM-MRXNPFEDSA-N 1 0 305.378 1.891 20 5 DDBDRO CC(C)(C)[N@@H+]1CCCN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000063728188 352922094 /nfs/dbraw/zinc/92/20/94/352922094.db2.gz BOVGXUJBHNQFPN-UHFFFAOYSA-N 1 0 323.397 1.514 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCC[N@@H+](C)C1CC1 ZINC000067717798 353064142 /nfs/dbraw/zinc/06/41/42/353064142.db2.gz QAGYCYQQJVQWRE-UHFFFAOYSA-N 1 0 313.379 1.276 20 5 DDBDRO CNC(=O)c1ccc(NC[C@@H](C)[N@H+](C)C2CC2)c([N+](=O)[O-])c1 ZINC000068913122 353135973 /nfs/dbraw/zinc/13/59/73/353135973.db2.gz SLBSGDPENHYJTQ-SNVBAGLBSA-N 1 0 306.366 1.849 20 5 DDBDRO C[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[N@H+](C)C1CC1 ZINC000069129501 353147390 /nfs/dbraw/zinc/14/73/90/353147390.db2.gz BJPWJCGPAOEENQ-JTQLQIEISA-N 1 0 313.379 1.356 20 5 DDBDRO O=C1C[C@]2(CN1)CCC[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C2 ZINC000072830761 353219847 /nfs/dbraw/zinc/21/98/47/353219847.db2.gz UACFNEQOGLDTFM-INIZCTEOSA-N 1 0 319.361 1.576 20 5 DDBDRO COC(=O)CC[N@@H+]1CCN(Cc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000182091130 199385822 /nfs/dbraw/zinc/38/58/22/199385822.db2.gz NUHDTCQNKPTBHW-CYBMUJFWSA-N 1 0 321.377 1.664 20 5 DDBDRO C[N@H+](CCNC(=O)NCCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000074200506 353299961 /nfs/dbraw/zinc/29/99/61/353299961.db2.gz ZFCPAHZZTKXJPG-UHFFFAOYSA-N 1 0 306.366 1.531 20 5 DDBDRO C[N@@H+](Cc1ccccc1Cl)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174656049 198366347 /nfs/dbraw/zinc/36/63/47/198366347.db2.gz GUFHNYOGXLDHRP-ZDUSSCGKSA-N 1 0 324.768 1.938 20 5 DDBDRO O=[N+]([O-])c1cnn(CCN2CCCN(CC(F)(F)F)CC2)c1 ZINC000174869830 198394764 /nfs/dbraw/zinc/39/47/64/198394764.db2.gz QPKVSCBVFLIXSN-UHFFFAOYSA-N 1 0 321.303 1.361 20 5 DDBDRO CC[NH+](CC)[C@@H]1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000078575641 353522502 /nfs/dbraw/zinc/52/25/02/353522502.db2.gz TVPUECYWZGFMPN-GFCCVEGCSA-N 1 0 306.366 1.614 20 5 DDBDRO CCc1nn(C)c(NCC[NH+]2CCC(OC)CC2)c1[N+](=O)[O-] ZINC000091735019 353835394 /nfs/dbraw/zinc/83/53/94/353835394.db2.gz KELRPDBHZILPBE-UHFFFAOYSA-N 1 0 311.386 1.413 20 5 DDBDRO C[NH+](C)[C@H]1CC[C@@H](NC(=O)NCc2ccccc2[N+](=O)[O-])C1 ZINC000093290632 353891908 /nfs/dbraw/zinc/89/19/08/353891908.db2.gz PFLSHQFDYVVVOE-OLZOCXBDSA-N 1 0 306.366 1.877 20 5 DDBDRO C[NH+](C)C[C@H]1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000129760864 354085752 /nfs/dbraw/zinc/08/57/52/354085752.db2.gz VPOOHMNYFJNRTI-CYBMUJFWSA-N 1 0 306.366 1.688 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000125058751 354044090 /nfs/dbraw/zinc/04/40/90/354044090.db2.gz KJFZNEVUXOQYTB-QWRGUYRKSA-N 1 0 313.379 1.451 20 5 DDBDRO CCOc1ccc(C(=O)N2CC[C@@H]([NH3+])C[C@@H]2C)cc1[N+](=O)[O-] ZINC000154219218 354205237 /nfs/dbraw/zinc/20/52/37/354205237.db2.gz AIBZMWGWIDBMCF-CMPLNLGQSA-N 1 0 307.350 1.945 20 5 DDBDRO C[C@H](O)CC[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000304131407 354465066 /nfs/dbraw/zinc/46/50/66/354465066.db2.gz QPBNPSBPGZNRGC-NSHDSACASA-N 1 0 304.350 1.856 20 5 DDBDRO CNc1ccc(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000322570959 354537323 /nfs/dbraw/zinc/53/73/23/354537323.db2.gz FUMKGRKYHOUMSJ-OLZOCXBDSA-N 1 0 318.377 1.993 20 5 DDBDRO CN(CCC[NH3+])Cc1cn(Cc2ccc([N+](=O)[O-])cc2)nn1 ZINC000328131667 354544104 /nfs/dbraw/zinc/54/41/04/354544104.db2.gz WPPWFIOWFHFQEB-UHFFFAOYSA-N 1 0 304.354 1.015 20 5 DDBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)c1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000587986645 354888979 /nfs/dbraw/zinc/88/89/79/354888979.db2.gz FLIKTCIWMYSKKA-ZDUSSCGKSA-N 1 0 322.409 1.980 20 5 DDBDRO Cn1c2cc(NCC[N@H+](C)C3CC3)c([N+](=O)[O-])cc2n(C)c1=O ZINC000587473004 354882980 /nfs/dbraw/zinc/88/29/80/354882980.db2.gz FEZNVYVEDONSGH-UHFFFAOYSA-N 1 0 319.365 1.291 20 5 DDBDRO Cc1cc(C(=O)N2CC[C@@H]([N@@H+]3CC[C@H](O)C3)C2)ccc1[N+](=O)[O-] ZINC000588863061 354944324 /nfs/dbraw/zinc/94/43/24/354944324.db2.gz OOFINFKFHLTVEX-KGLIPLIRSA-N 1 0 319.361 1.184 20 5 DDBDRO Cc1cc(C(=O)N[C@@H](CO)C[NH+]2CCCC2)cc([N+](=O)[O-])c1 ZINC000588870156 354945316 /nfs/dbraw/zinc/94/53/16/354945316.db2.gz VEALBGQLXKBQMC-CYBMUJFWSA-N 1 0 307.350 1.090 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H]1CCO[C@@H]1C1CC1 ZINC000494470544 235039730 /nfs/dbraw/zinc/03/97/30/235039730.db2.gz FWWWWMUBQGVYTM-MLGOLLRUSA-N 1 0 319.361 1.999 20 5 DDBDRO COc1cc(CN2CC[C@H]3C[N@H+](C)C[C@@H]32)c([N+](=O)[O-])cc1F ZINC000590011037 355040328 /nfs/dbraw/zinc/04/03/28/355040328.db2.gz GHOUWWSSBDIVIL-HZMBPMFUSA-N 1 0 309.341 1.878 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)N2CC[C@@H]3C[N@H+](C)C[C@H]32)c1[N+](=O)[O-] ZINC000590443477 355097355 /nfs/dbraw/zinc/09/73/55/355097355.db2.gz KMXMLCYFLYROCA-NXEZZACHSA-N 1 0 307.354 1.217 20 5 DDBDRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000590443434 355097707 /nfs/dbraw/zinc/09/77/07/355097707.db2.gz IRCCTHOBQYUGRL-FZMZJTMJSA-N 1 0 305.334 1.136 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21 ZINC000590445086 355098549 /nfs/dbraw/zinc/09/85/49/355098549.db2.gz MZZOLIKOZFCJBD-DGCLKSJQSA-N 1 0 319.361 1.770 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000332581157 235139408 /nfs/dbraw/zinc/13/94/08/235139408.db2.gz APPNWQPTCLKPJE-CHWSQXEVSA-N 1 0 303.362 1.893 20 5 DDBDRO [NH3+]C/C=C\CNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000591356409 355298246 /nfs/dbraw/zinc/29/82/46/355298246.db2.gz VQJKQXIGMKLMHU-UPHRSURJSA-N 1 0 312.757 1.605 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000591534393 355324676 /nfs/dbraw/zinc/32/46/76/355324676.db2.gz AHTTUCVQQBOUDM-SWLSCSKDSA-N 1 0 303.362 1.988 20 5 DDBDRO C[C@@H]1C[C@H](NCc2cc3c(cc2[N+](=O)[O-])OCCO3)CC[NH2+]1 ZINC000591278412 355276845 /nfs/dbraw/zinc/27/68/45/355276845.db2.gz ZEJUKCQGVSCWFB-ZYHUDNBSSA-N 1 0 307.350 1.596 20 5 DDBDRO COc1ccc(NC(=O)NC[C@H]2CCCC[NH2+]2)cc1[N+](=O)[O-] ZINC000591297611 355283249 /nfs/dbraw/zinc/28/32/49/355283249.db2.gz DYVFHBNCTDDKHA-LLVKDONJSA-N 1 0 308.338 1.867 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC(C)([NH3+])CC1 ZINC000591299498 355283547 /nfs/dbraw/zinc/28/35/47/355283547.db2.gz MVAJMOGOYIFLQQ-UHFFFAOYSA-N 1 0 308.338 1.949 20 5 DDBDRO CO[C@@H](C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000591722881 355371010 /nfs/dbraw/zinc/37/10/10/355371010.db2.gz AOJFGLCJMMEANI-CABCVRRESA-N 1 0 320.349 1.130 20 5 DDBDRO O=C(CC[NH2+]C[C@H]1CCCNC1=O)Nc1ccccc1[N+](=O)[O-] ZINC000591735146 355374886 /nfs/dbraw/zinc/37/48/86/355374886.db2.gz VDNXHZUQGKCZAG-LLVKDONJSA-N 1 0 320.349 1.039 20 5 DDBDRO CC(C)OCC[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000591760491 355379466 /nfs/dbraw/zinc/37/94/66/355379466.db2.gz MHEOEBRGEZLASQ-UHFFFAOYSA-N 1 0 316.379 1.383 20 5 DDBDRO Cc1n[nH]c(C(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1[N+](=O)[O-] ZINC000591893461 355414568 /nfs/dbraw/zinc/41/45/68/355414568.db2.gz YKEJWFKTCDVTSV-MNOVXSKESA-N 1 0 307.354 1.231 20 5 DDBDRO CNc1ccc(C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)cc1[N+](=O)[O-] ZINC000592247087 355547150 /nfs/dbraw/zinc/54/71/50/355547150.db2.gz OURCBNYECPIEKR-ZWNOBZJWSA-N 1 0 304.350 1.461 20 5 DDBDRO [NH3+]C[C@H]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC1 ZINC000592336838 355561766 /nfs/dbraw/zinc/56/17/66/355561766.db2.gz NJBXJIKZRRGQCL-MGCOHNPYSA-N 1 0 308.338 1.190 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000592477273 355593797 /nfs/dbraw/zinc/59/37/97/355593797.db2.gz USYKNYLEFWWDRN-ZWNOBZJWSA-N 1 0 323.349 1.182 20 5 DDBDRO CC[C@H]1CN(CC(=O)Nc2c(C)cccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000592485582 355596498 /nfs/dbraw/zinc/59/64/98/355596498.db2.gz IWPWZQIQDAVJDH-QWHCGFSZSA-N 1 0 320.393 1.901 20 5 DDBDRO C[C@H]1C[C@@H]([NH3+])CCN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000565157959 304047257 /nfs/dbraw/zinc/04/72/57/304047257.db2.gz RHOHQERMQIUALE-RYUDHWBXSA-N 1 0 306.366 1.369 20 5 DDBDRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1Cc1csc([N+](=O)[O-])c1 ZINC000592523755 355611928 /nfs/dbraw/zinc/61/19/28/355611928.db2.gz ASWXZXBSOQNROH-JTQLQIEISA-N 1 0 312.395 1.208 20 5 DDBDRO C[C@H]1C[C@H]([NH3+])CCN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000565157956 304047078 /nfs/dbraw/zinc/04/70/78/304047078.db2.gz RHOHQERMQIUALE-NWDGAFQWSA-N 1 0 306.366 1.369 20 5 DDBDRO CN(CC(=O)N1CCC(C)([NH3+])CC1)c1ccccc1[N+](=O)[O-] ZINC000592543786 355622383 /nfs/dbraw/zinc/62/23/83/355622383.db2.gz JUIIWAYZOGZIFG-UHFFFAOYSA-N 1 0 306.366 1.371 20 5 DDBDRO COc1ccc(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000592751256 355675109 /nfs/dbraw/zinc/67/51/09/355675109.db2.gz LACDHLOPJIJRKG-ZYHUDNBSSA-N 1 0 307.350 1.560 20 5 DDBDRO C[N@@H+]1CC[C@H](CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000264724734 283115138 /nfs/dbraw/zinc/11/51/38/283115138.db2.gz YIZGJJHDQTZMRV-SNVBAGLBSA-N 1 0 321.333 1.048 20 5 DDBDRO CC[C@H](C)[N@H+](CCO)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000593029222 355774508 /nfs/dbraw/zinc/77/45/08/355774508.db2.gz RPAJQNRKIOGVPE-NSHDSACASA-N 1 0 310.350 1.974 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+]C2(CO)CCCC2)c1 ZINC000593022462 355771999 /nfs/dbraw/zinc/77/19/99/355771999.db2.gz GTFCJLMUQMAXOK-UHFFFAOYSA-N 1 0 308.334 1.776 20 5 DDBDRO CC[N@@H+]1CCN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000593697765 355970743 /nfs/dbraw/zinc/97/07/43/355970743.db2.gz FBROVNKPKXYXAB-LLVKDONJSA-N 1 0 309.341 1.829 20 5 DDBDRO O=C(NCCNc1ccccc1[N+](=O)[O-])[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000593902841 356049751 /nfs/dbraw/zinc/04/97/51/356049751.db2.gz YLLBRTYBXFURBL-OCCSQVGLSA-N 1 0 318.377 1.654 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)NCc2ccccc2C[NH2+]C)n1 ZINC000593913718 356057510 /nfs/dbraw/zinc/05/75/10/356057510.db2.gz CZEFHIRQBCHTQH-UHFFFAOYSA-N 1 0 317.349 1.461 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)NCc2ccc(C[NH3+])cc2F)n1 ZINC000593915306 356057734 /nfs/dbraw/zinc/05/77/34/356057734.db2.gz IOMZVEKWKAGVJZ-UHFFFAOYSA-N 1 0 321.312 1.339 20 5 DDBDRO Nc1c(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)cccc1[N+](=O)[O-] ZINC000594419172 356204724 /nfs/dbraw/zinc/20/47/24/356204724.db2.gz OJMRLSQAHZWMIK-QWHCGFSZSA-N 1 0 318.377 1.924 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[C@H](C)[NH+](C)C ZINC000594816234 356326261 /nfs/dbraw/zinc/32/62/61/356326261.db2.gz FRIDNIHKJYYTJN-NSHDSACASA-N 1 0 315.395 1.522 20 5 DDBDRO C[C@@H](CC[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])[NH+](C)C ZINC000594817380 356326503 /nfs/dbraw/zinc/32/65/03/356326503.db2.gz QLSSNXZGFXLQKX-VIFPVBQESA-N 1 0 319.358 1.352 20 5 DDBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2C[C@H](O)C23CCC3)c2c(c1)COCO2 ZINC000594986384 356368588 /nfs/dbraw/zinc/36/85/88/356368588.db2.gz DWQIMKNHAGPGJK-KGLIPLIRSA-N 1 0 320.345 1.854 20 5 DDBDRO COC[C@@H](CC[NH2+]Cc1cc(OC)c(O)cc1[N+](=O)[O-])OC ZINC000594954323 356364184 /nfs/dbraw/zinc/36/41/84/356364184.db2.gz FRCCAJGRDABVRI-LLVKDONJSA-N 1 0 314.338 1.450 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@]1(C)CCC(=O)N1 ZINC000595053471 356376977 /nfs/dbraw/zinc/37/69/77/356376977.db2.gz VLUPIYDSIXKWSJ-MEBBXXQBSA-N 1 0 307.350 1.923 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@]1(O)CCO[C@H]1C ZINC000595053511 356377005 /nfs/dbraw/zinc/37/70/05/356377005.db2.gz KOXAJRMDEOYMEV-PGUXBMHVSA-N 1 0 310.350 1.794 20 5 DDBDRO CN(CC(C)(C)[NH3+])S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000595115892 356384685 /nfs/dbraw/zinc/38/46/85/356384685.db2.gz MVHGRBQVDHRPCE-UHFFFAOYSA-N 1 0 321.786 1.606 20 5 DDBDRO C[NH2+]C[C@@H](C)NS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000595122462 356386728 /nfs/dbraw/zinc/38/67/28/356386728.db2.gz SVEIHWOKJWTIGS-SSDOTTSWSA-N 1 0 321.786 1.443 20 5 DDBDRO O=C(Cn1cc([N+](=O)[O-])cn1)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000595226584 356411428 /nfs/dbraw/zinc/41/14/28/356411428.db2.gz VBTOHPNPLAAYII-GXTWGEPZSA-N 1 0 321.381 1.172 20 5 DDBDRO COc1ccc(CNC(=O)NCC23CC(C2)C[NH2+]3)cc1[N+](=O)[O-] ZINC000595262740 356425309 /nfs/dbraw/zinc/42/53/09/356425309.db2.gz CKGGBMQRHGGEKN-UHFFFAOYSA-N 1 0 320.349 1.155 20 5 DDBDRO Cc1nn(C)c(C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000177562285 198746257 /nfs/dbraw/zinc/74/62/57/198746257.db2.gz VCXHOQUJMXJPHR-QWRGUYRKSA-N 1 0 309.370 1.239 20 5 DDBDRO Cc1noc(C[NH2+][C@H]2CCCC[C@@H]2N2CCOCC2)c1[N+](=O)[O-] ZINC000595457374 356500566 /nfs/dbraw/zinc/50/05/66/356500566.db2.gz WSOSFQUZLOYMPX-STQMWFEESA-N 1 0 324.381 1.624 20 5 DDBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000595608766 356574967 /nfs/dbraw/zinc/57/49/67/356574967.db2.gz VQSYUPMGLBXCAZ-NSHDSACASA-N 1 0 305.313 1.848 20 5 DDBDRO CCOc1ccc(C(=O)NC2CCC([NH3+])CC2)cc1[N+](=O)[O-] ZINC000236903911 202063994 /nfs/dbraw/zinc/06/39/94/202063994.db2.gz XPSOJSUJVRZYFB-UHFFFAOYSA-N 1 0 307.350 1.993 20 5 DDBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@@H]3C[C@H](O)C34CCC4)nc2c1 ZINC000595785526 356651042 /nfs/dbraw/zinc/65/10/42/356651042.db2.gz XGWLBFASWBKIKX-OLZOCXBDSA-N 1 0 302.334 1.864 20 5 DDBDRO COc1ccc(NC(=O)CN2CCC[C@@H]2[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000595767179 356644335 /nfs/dbraw/zinc/64/43/35/356644335.db2.gz WGFUHBJRZXHLJN-ZWNOBZJWSA-N 1 0 323.349 1.387 20 5 DDBDRO COc1ccc(OCC[N@H+]2CCC(=O)N(C)CC2)c([N+](=O)[O-])c1 ZINC000595786618 356652227 /nfs/dbraw/zinc/65/22/27/356652227.db2.gz UURUDWUTAINUIM-UHFFFAOYSA-N 1 0 323.349 1.146 20 5 DDBDRO O=C(CC[N@@H+]1CC[C@H]2COC[C@@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000595828158 356666666 /nfs/dbraw/zinc/66/66/66/356666666.db2.gz UVRPHTWSXSOHRE-STQMWFEESA-N 1 0 319.361 1.892 20 5 DDBDRO CN(C(=O)CSc1ccc([N+](=O)[O-])cc1)C1CC[NH2+]CC1 ZINC000237081078 202147178 /nfs/dbraw/zinc/14/71/78/202147178.db2.gz ONXVHOYAPMEVTG-UHFFFAOYSA-N 1 0 309.391 1.897 20 5 DDBDRO COc1ccc(OCC[N@@H+]2C[C@H](C)[C@@](C)(CO)C2)c([N+](=O)[O-])c1 ZINC000595872662 356686758 /nfs/dbraw/zinc/68/67/58/356686758.db2.gz KLOYHUHEBMQXKW-BLLLJJGKSA-N 1 0 324.377 1.933 20 5 DDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)c1cn[nH]c1[C@H]1CC[NH2+]C1 ZINC000595925115 356706962 /nfs/dbraw/zinc/70/69/62/356706962.db2.gz VIXAVSMASGUWGK-VIFPVBQESA-N 1 0 301.306 1.647 20 5 DDBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CC[NH2+]CC2)cc1SC ZINC000237121071 202158370 /nfs/dbraw/zinc/15/83/70/202158370.db2.gz KJLSSWOUUMRENL-UHFFFAOYSA-N 1 0 311.363 1.371 20 5 DDBDRO [NH3+]C1(CNC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CCCC1 ZINC000595941938 356715219 /nfs/dbraw/zinc/71/52/19/356715219.db2.gz UUAHQXJOKCQYQW-UHFFFAOYSA-N 1 0 321.333 1.367 20 5 DDBDRO Nc1ccc(N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)nc1[N+](=O)[O-] ZINC000596014439 356746752 /nfs/dbraw/zinc/74/67/52/356746752.db2.gz QAQANBHIWGNIAY-NEPJUHHUSA-N 1 0 305.382 1.788 20 5 DDBDRO C[C@@H](C[NH+]1CCCCC1)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596075552 356763614 /nfs/dbraw/zinc/76/36/14/356763614.db2.gz HARCSIZYMPSRDH-NSHDSACASA-N 1 0 306.366 1.980 20 5 DDBDRO C[C@@H]1CCC[N@H+](CCNc2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596076292 356764300 /nfs/dbraw/zinc/76/43/00/356764300.db2.gz OULWAEAKJVESDO-LLVKDONJSA-N 1 0 306.366 1.838 20 5 DDBDRO CSc1ccc(C(=O)N2CCOC3(C[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000596097774 356770688 /nfs/dbraw/zinc/77/06/88/356770688.db2.gz LDOCFWGXGVHGJZ-UHFFFAOYSA-N 1 0 323.374 1.131 20 5 DDBDRO COc1cc(OCC(=O)N[C@H]2CCC[C@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000237226799 202197446 /nfs/dbraw/zinc/19/74/46/202197446.db2.gz HWFLDTWBPGNENP-JQWIXIFHSA-N 1 0 323.349 1.226 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000596537534 356910212 /nfs/dbraw/zinc/91/02/12/356910212.db2.gz HIVYXBZFNYIVTN-AWEZNQCLSA-N 1 0 305.378 1.939 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NCC12CCC[NH+]1CCC2 ZINC000597589149 357240591 /nfs/dbraw/zinc/24/05/91/357240591.db2.gz UCTOGZXBTDWGHD-UHFFFAOYSA-N 1 0 319.361 1.962 20 5 DDBDRO CCN(C(=O)c1ccc(NC)c([N+](=O)[O-])c1)[C@H]1CC[N@H+](C)C1 ZINC000597943904 357393068 /nfs/dbraw/zinc/39/30/68/357393068.db2.gz ASTZXXGEDFTUMA-LBPRGKRZSA-N 1 0 306.366 1.803 20 5 DDBDRO CSc1ccc(C(=O)N(C)CC2C[NH+](C)C2)cc1[N+](=O)[O-] ZINC000598162965 357478802 /nfs/dbraw/zinc/47/88/02/357478802.db2.gz LMXRLGYSRLYOBU-UHFFFAOYSA-N 1 0 309.391 1.950 20 5 DDBDRO CCCc1n[nH]c(C(=O)N[C@@H]2CC[N@@H+](CCC)C2)c1[N+](=O)[O-] ZINC000598341877 357543802 /nfs/dbraw/zinc/54/38/02/357543802.db2.gz HOLNBPDFYTWOGA-SNVBAGLBSA-N 1 0 309.370 1.485 20 5 DDBDRO O=C(Cn1cc([N+](=O)[O-])cn1)NCC1CC[NH+](CC2CC2)CC1 ZINC000598537446 357624907 /nfs/dbraw/zinc/62/49/07/357624907.db2.gz FEHKHPYIVIKAQS-UHFFFAOYSA-N 1 0 321.381 1.030 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC000598569698 357635709 /nfs/dbraw/zinc/63/57/09/357635709.db2.gz CSKIYBCLTANCEI-CYBMUJFWSA-N 1 0 307.350 1.673 20 5 DDBDRO COc1cc(C(=O)N2CC[NH2+][C@H](C(C)C)C2)cc([N+](=O)[O-])c1C ZINC000598575746 357638002 /nfs/dbraw/zinc/63/80/02/357638002.db2.gz WSQSJWXQWQIHSV-ZDUSSCGKSA-N 1 0 321.377 1.982 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000598671103 357680297 /nfs/dbraw/zinc/68/02/97/357680297.db2.gz ZFRZQMXCIOZVEQ-BZNIZROVSA-N 1 0 319.361 1.947 20 5 DDBDRO COc1ccc(OCCN2C[C@H]3CCC[C@]3([NH3+])C2)c([N+](=O)[O-])c1 ZINC000598681750 357685357 /nfs/dbraw/zinc/68/53/57/357685357.db2.gz JIJPDRJQEQHHBW-WBMJQRKESA-N 1 0 321.377 1.795 20 5 DDBDRO Cc1cc(OCC(=O)NC2CC([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000598721688 357704424 /nfs/dbraw/zinc/70/44/24/357704424.db2.gz VWYHXNCUVBANNE-UHFFFAOYSA-N 1 0 307.350 1.491 20 5 DDBDRO CC1(C)C[NH2+]CC[C@H]1NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598915421 357757455 /nfs/dbraw/zinc/75/74/55/357757455.db2.gz LSTHUYNDFFVSFC-GFCCVEGCSA-N 1 0 320.349 1.038 20 5 DDBDRO O=C(NC[C@@H]1C[NH2+]CCO1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000598916234 357757601 /nfs/dbraw/zinc/75/76/01/357757601.db2.gz TYBOVUISEAKGOH-VIFPVBQESA-N 1 0 314.729 1.358 20 5 DDBDRO COC(=O)c1ccnc(NC[C@@H]2CCCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000599142322 357828163 /nfs/dbraw/zinc/82/81/63/357828163.db2.gz UQCYPHJXQPYMID-NSHDSACASA-N 1 0 322.365 1.920 20 5 DDBDRO CC[C@@H]1CN(c2nccc(C(=O)OC)c2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000599178914 357841108 /nfs/dbraw/zinc/84/11/08/357841108.db2.gz NEUXJJHSDREKDC-VHSXEESVSA-N 1 0 308.338 1.353 20 5 DDBDRO COC(=O)[C@]1(OC)CC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000599567327 357976602 /nfs/dbraw/zinc/97/66/02/357976602.db2.gz NTFUNVIYEXXJJH-HNNXBMFYSA-N 1 0 308.334 1.667 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000599604881 357990870 /nfs/dbraw/zinc/99/08/70/357990870.db2.gz UTBMQKQBFCNUFX-SNVBAGLBSA-N 1 0 324.337 1.103 20 5 DDBDRO COc1ccc(OCC[N@H+](C)C[C@H]2C[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC000599674128 358019709 /nfs/dbraw/zinc/01/97/09/358019709.db2.gz YVPVTRXHICGZDZ-TXEJJXNPSA-N 1 0 310.350 1.685 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000599894972 358076751 /nfs/dbraw/zinc/07/67/51/358076751.db2.gz ALYVWSKKGTVNLS-QWRGUYRKSA-N 1 0 320.349 1.098 20 5 DDBDRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000599909735 358078845 /nfs/dbraw/zinc/07/88/45/358078845.db2.gz YFZFNZOZGABTBR-NWDGAFQWSA-N 1 0 322.365 1.543 20 5 DDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N[C@H]1CC[NH2+]C12CCC2 ZINC000599921398 358081487 /nfs/dbraw/zinc/08/14/87/358081487.db2.gz ZJTRSUWAYFORJZ-AWEZNQCLSA-N 1 0 318.377 1.721 20 5 DDBDRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000599940356 358086068 /nfs/dbraw/zinc/08/60/68/358086068.db2.gz MTFVNRVHSGUVQO-SMDDNHRTSA-N 1 0 306.366 1.529 20 5 DDBDRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)CCNc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000599988997 358097219 /nfs/dbraw/zinc/09/72/19/358097219.db2.gz QXJSOZPDMNBOHG-ATCWAGBWSA-N 1 0 318.377 1.415 20 5 DDBDRO O=C(NC[C@@H]1CC[N@@H+]1C1CCCCC1)c1c[nH]nc1[N+](=O)[O-] ZINC000600228817 358163752 /nfs/dbraw/zinc/16/37/52/358163752.db2.gz GCFURIBEROCQMH-NSHDSACASA-N 1 0 307.354 1.455 20 5 DDBDRO O=[N+]([O-])c1ccc(OCCNC[C@H](O)C[NH+]2CCCC2)cc1 ZINC000600723676 358296860 /nfs/dbraw/zinc/29/68/60/358296860.db2.gz DESRZXMMXWFVSZ-AWEZNQCLSA-N 1 0 309.366 1.020 20 5 DDBDRO C[NH2+]CCOCCN(C)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000600729809 358299674 /nfs/dbraw/zinc/29/96/74/358299674.db2.gz IEOZBPSGXVGQHJ-GFCCVEGCSA-N 1 0 324.381 1.090 20 5 DDBDRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000601127585 358413743 /nfs/dbraw/zinc/41/37/43/358413743.db2.gz KEZONFAMSSULCA-LLVKDONJSA-N 1 0 307.325 1.948 20 5 DDBDRO NC(=O)c1ccc(N2CC[NH+](C3CCC3)CC2)c([N+](=O)[O-])c1 ZINC000264896335 283378776 /nfs/dbraw/zinc/37/87/76/283378776.db2.gz AQKTUIKBQLLURY-UHFFFAOYSA-N 1 0 304.350 1.368 20 5 DDBDRO Cc1nn(C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000601956663 358752975 /nfs/dbraw/zinc/75/29/75/358752975.db2.gz GWJCLDUZARHMCY-MRXNPFEDSA-N 1 0 316.361 1.737 20 5 DDBDRO CC1(C)C[NH2+]CC[C@@H](NC(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000601971682 358759738 /nfs/dbraw/zinc/75/97/38/358759738.db2.gz DRWVDVAHSSIPFX-GFCCVEGCSA-N 1 0 321.377 1.868 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000601974134 358761281 /nfs/dbraw/zinc/76/12/81/358761281.db2.gz MMHTZRSWLJDVRU-ABAIWWIYSA-N 1 0 305.334 1.232 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000601975933 358762126 /nfs/dbraw/zinc/76/21/26/358762126.db2.gz NVSDAOPHLBPTOQ-LLVKDONJSA-N 1 0 306.366 1.806 20 5 DDBDRO C[N@@H+]1CC[C@H](CC(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000602099668 358812905 /nfs/dbraw/zinc/81/29/05/358812905.db2.gz ZALUZIINPTYMBR-GFCCVEGCSA-N 1 0 307.350 1.432 20 5 DDBDRO O=[N+]([O-])c1cccc(N2CCN(CC34CC(C3)C[NH2+]4)CC2)c1 ZINC000602018006 358778384 /nfs/dbraw/zinc/77/83/84/358778384.db2.gz WTHWTHAPTVTGDW-UHFFFAOYSA-N 1 0 302.378 1.469 20 5 DDBDRO CC[NH+](CC)CCOCCNC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000348160238 283395932 /nfs/dbraw/zinc/39/59/32/283395932.db2.gz UKHWEFQRWCMVAU-UHFFFAOYSA-N 1 0 323.393 1.991 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[NH2+]C23CCC3)c1 ZINC000602535312 359032975 /nfs/dbraw/zinc/03/29/75/359032975.db2.gz XHWNYBPDMJKZBA-ZDUSSCGKSA-N 1 0 305.334 1.618 20 5 DDBDRO C[C@H](CC(N)=O)[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602569166 359048615 /nfs/dbraw/zinc/04/86/15/359048615.db2.gz OJQRJYMYGKXXFZ-SSDOTTSWSA-N 1 0 305.256 1.967 20 5 DDBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@H]2CCCCN2CCO)cc1 ZINC000602675564 359119680 /nfs/dbraw/zinc/11/96/80/359119680.db2.gz ULCKIYQEKUYOAC-MRXNPFEDSA-N 1 0 307.394 1.574 20 5 DDBDRO C[C@@H](O)C[C@@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602604556 359067743 /nfs/dbraw/zinc/06/77/43/359067743.db2.gz YURQEXQSQSUTAT-VXGBXAGGSA-N 1 0 308.382 1.708 20 5 DDBDRO C[C@H](CC[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)[S@](C)=O ZINC000602595359 359061192 /nfs/dbraw/zinc/06/11/92/359061192.db2.gz WMFUEXPDRHUGFH-BTKVJGODSA-N 1 0 311.363 1.983 20 5 DDBDRO COCC(COC)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602681717 359123490 /nfs/dbraw/zinc/12/34/90/359123490.db2.gz KZVCHTMPZIJLDE-UHFFFAOYSA-N 1 0 324.381 1.210 20 5 DDBDRO CO[C@@](C)(C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1)C1CC1 ZINC000602686174 359124893 /nfs/dbraw/zinc/12/48/93/359124893.db2.gz BEWUDDBKOVZXAG-INIZCTEOSA-N 1 0 320.393 1.927 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(c2ccncn2)CC1 ZINC000602839833 359229310 /nfs/dbraw/zinc/22/93/10/359229310.db2.gz JBFJDWLDUKXCFZ-UHFFFAOYSA-N 1 0 316.365 1.769 20 5 DDBDRO CNC(=O)CC[C@@H]1CCCC[N@@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602831420 359223148 /nfs/dbraw/zinc/22/31/48/359223148.db2.gz XMCZMSJOYGJBJU-LBPRGKRZSA-N 1 0 309.370 1.209 20 5 DDBDRO CCCN(CCn1c(C)ncc1[N+](=O)[O-])CC[NH+]1CCCC1 ZINC000602832142 359223247 /nfs/dbraw/zinc/22/32/47/359223247.db2.gz RCZSONKQLFXLMI-UHFFFAOYSA-N 1 0 309.414 1.908 20 5 DDBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000602938985 359307552 /nfs/dbraw/zinc/30/75/52/359307552.db2.gz ZSBZFHCTLPYWRT-CIISACIHSA-N 1 0 317.345 1.640 20 5 DDBDRO COCC[N@@H+]1CCC[C@H](NC(=O)c2c(C)cccc2[N+](=O)[O-])C1 ZINC000618455659 363637486 /nfs/dbraw/zinc/63/74/86/363637486.db2.gz COYVSBXIRZPIJP-ZDUSSCGKSA-N 1 0 321.377 1.744 20 5 DDBDRO COc1ccc(C[N@H+]2C[C@@H](OC)C[C@@]2(C)CO)cc1[N+](=O)[O-] ZINC000602963874 359327810 /nfs/dbraw/zinc/32/78/10/359327810.db2.gz JLEQPQOAGDOFCA-WFASDCNBSA-N 1 0 310.350 1.575 20 5 DDBDRO COC(=O)c1cnc(NCC23CCC[NH+]2CCC3)c([N+](=O)[O-])c1 ZINC000280955644 215988703 /nfs/dbraw/zinc/98/87/03/215988703.db2.gz KEWPDNFWLCHTFI-UHFFFAOYSA-N 1 0 320.349 1.817 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](O)[C@H](C)C1 ZINC000186858871 200023051 /nfs/dbraw/zinc/02/30/51/200023051.db2.gz XQEUANFUPUBRKP-IUODEOHRSA-N 1 0 321.377 1.935 20 5 DDBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000187091476 200060218 /nfs/dbraw/zinc/06/02/18/200060218.db2.gz DXCIILOFYYGNSQ-LBPRGKRZSA-N 1 0 322.365 1.690 20 5 DDBDRO CC1(C)CC(NC(=O)Cn2ccc([N+](=O)[O-])n2)CC(C)(C)[NH2+]1 ZINC000603832877 359684947 /nfs/dbraw/zinc/68/49/47/359684947.db2.gz HEAHREQAAQTJIY-UHFFFAOYSA-N 1 0 309.370 1.217 20 5 DDBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000188324977 200228693 /nfs/dbraw/zinc/22/86/93/200228693.db2.gz CJZIBOSUASZQNZ-GFCCVEGCSA-N 1 0 320.393 1.885 20 5 DDBDRO [NH3+]C[C@H]1CCC[C@H]1NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000237819324 202362569 /nfs/dbraw/zinc/36/25/69/202362569.db2.gz OXIPQQVHZJAGPQ-BXKDBHETSA-N 1 0 311.313 1.356 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CC[NH+](C[C@@H](C)O)CC1 ZINC000189375417 200390022 /nfs/dbraw/zinc/39/00/22/200390022.db2.gz JGMAMIROTLVRHW-CYBMUJFWSA-N 1 0 323.393 1.492 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[N@@H+](CCO)CCc2ccccc2)c1 ZINC000610453360 360440865 /nfs/dbraw/zinc/44/08/65/360440865.db2.gz ZYQXMJJPVMCOBU-UHFFFAOYSA-N 1 0 304.350 1.328 20 5 DDBDRO CC1(C)CC[N@H+](CC(=O)NCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000610394587 360425169 /nfs/dbraw/zinc/42/51/69/360425169.db2.gz FNFMFPRJDGIPDU-UHFFFAOYSA-N 1 0 320.393 1.855 20 5 DDBDRO CC(C)[NH2+][C@@H]1CCCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000611185915 360653341 /nfs/dbraw/zinc/65/33/41/360653341.db2.gz JDVYBTHRMSWGCM-CYBMUJFWSA-N 1 0 308.382 1.219 20 5 DDBDRO CC[C@H]1C[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@@H]1O ZINC000611287538 360689805 /nfs/dbraw/zinc/68/98/05/360689805.db2.gz HFCOGYMXJSLJBM-GWCFXTLKSA-N 1 0 308.334 1.569 20 5 DDBDRO CC[NH+]1CCN([C@@H]2CCN(c3sccc3[N+](=O)[O-])C2)CC1 ZINC000611412644 360714518 /nfs/dbraw/zinc/71/45/18/360714518.db2.gz KBQUDMSRBITYPV-GFCCVEGCSA-N 1 0 310.423 1.873 20 5 DDBDRO COc1cc(CN2CC[NH+](C(C)(C)CO)CC2)ccc1[N+](=O)[O-] ZINC000611516669 360744648 /nfs/dbraw/zinc/74/46/48/360744648.db2.gz LLYZVAGTQQSEAK-UHFFFAOYSA-N 1 0 323.393 1.492 20 5 DDBDRO CC[N@H+](C)C[C@@H]1CCN(c2cc(N)c([N+](=O)[O-])c(CO)c2)C1 ZINC000611525984 360748005 /nfs/dbraw/zinc/74/80/05/360748005.db2.gz WQLDQAXWSHYPJC-NSHDSACASA-N 1 0 308.382 1.447 20 5 DDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CCC[NH2+]C1 ZINC000193350581 201035500 /nfs/dbraw/zinc/03/55/00/201035500.db2.gz JZRXDIVWIJFJCX-NSHDSACASA-N 1 0 313.379 1.188 20 5 DDBDRO Cc1nn(C)c(C(=O)NC[C@@H](C)C[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000194206116 201197312 /nfs/dbraw/zinc/19/73/12/201197312.db2.gz VYKJNRHSHXGXQS-SNVBAGLBSA-N 1 0 309.370 1.098 20 5 DDBDRO COCCC[N@H+](C)CCNC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000194757358 201284359 /nfs/dbraw/zinc/28/43/59/201284359.db2.gz RQPBALBOEJAOJL-UHFFFAOYSA-N 1 0 309.366 1.601 20 5 DDBDRO COCC[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000195020118 201328245 /nfs/dbraw/zinc/32/82/45/201328245.db2.gz BNDXTKSYDUANNQ-UHFFFAOYSA-N 1 0 313.379 1.497 20 5 DDBDRO Cc1c(C(=O)N2CCC[C@@](O)(C[NH+](C)C)C2)cccc1[N+](=O)[O-] ZINC000618924280 363803882 /nfs/dbraw/zinc/80/38/82/363803882.db2.gz VATOCSUHPJFVHM-MRXNPFEDSA-N 1 0 321.377 1.432 20 5 DDBDRO C[NH+](C)C1CC(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000619873060 364170542 /nfs/dbraw/zinc/17/05/42/364170542.db2.gz XQLCSBLIAYKHRY-UHFFFAOYSA-N 1 0 318.377 1.992 20 5 DDBDRO C[C@@H](CC[NH3+])NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000349955958 284118325 /nfs/dbraw/zinc/11/83/25/284118325.db2.gz AMCXBZIABVVPEH-NSHDSACASA-N 1 0 306.366 1.662 20 5 DDBDRO Cc1cccc(C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)c1[N+](=O)[O-] ZINC000261972444 203165729 /nfs/dbraw/zinc/16/57/29/203165729.db2.gz ZDCDNLVXOUBAJV-CYBMUJFWSA-N 1 0 318.377 1.023 20 5 DDBDRO CCc1n[nH]c(C(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000275067546 212101983 /nfs/dbraw/zinc/10/19/83/212101983.db2.gz AHXMBWQYVPLIHR-ONGXEEELSA-N 1 0 309.370 1.293 20 5 DDBDRO COc1cc(C(=O)N2CC[C@H](C)C[C@@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000262514318 203315495 /nfs/dbraw/zinc/31/54/95/203315495.db2.gz NFHBLRSAPHUTAX-CMPLNLGQSA-N 1 0 307.350 1.803 20 5 DDBDRO CC[C@H]1CCCC[N@@H+]1CCNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000264941507 204288097 /nfs/dbraw/zinc/28/80/97/204288097.db2.gz IJLZPCCPXSAWTO-NSHDSACASA-N 1 0 321.381 1.765 20 5 DDBDRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000274880642 212004095 /nfs/dbraw/zinc/00/40/95/212004095.db2.gz IHIYNZCBZHDCGN-SNVBAGLBSA-N 1 0 308.338 1.300 20 5 DDBDRO CN(CC(=O)NC[C@@H]1CCC[N@@H+]1C)c1ccccc1[N+](=O)[O-] ZINC000266336294 205276971 /nfs/dbraw/zinc/27/69/71/205276971.db2.gz UCKVFLUBEUGLAV-LBPRGKRZSA-N 1 0 306.366 1.241 20 5 DDBDRO CC[NH2+]CCCNC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000566668402 304174475 /nfs/dbraw/zinc/17/44/75/304174475.db2.gz OFRZFXWGOUENGE-UHFFFAOYSA-N 1 0 308.382 1.778 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360552891 306985379 /nfs/dbraw/zinc/98/53/79/306985379.db2.gz PQMKSDSSOZXTAL-MRXNPFEDSA-N 1 0 318.377 1.527 20 5 DDBDRO C[NH+](C)[C@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])c1cccs1 ZINC000158986728 248311183 /nfs/dbraw/zinc/31/11/83/248311183.db2.gz VOYFWODXDZUECJ-MRVPVSSYSA-N 1 0 309.351 1.412 20 5 DDBDRO CCC[C@@H]1C[NH2+]CCN1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000567222359 304204687 /nfs/dbraw/zinc/20/46/87/304204687.db2.gz MVCDTDHNVYUECQ-CQSZACIVSA-N 1 0 306.366 1.878 20 5 DDBDRO C[C@H](CCCC[NH3+])Nc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000336848317 249254809 /nfs/dbraw/zinc/25/48/09/249254809.db2.gz IZHNYHLWFOJPNY-SNVBAGLBSA-N 1 0 315.395 1.928 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H](O)C1 ZINC000041886251 183223525 /nfs/dbraw/zinc/22/35/25/183223525.db2.gz SKILIFDVMAGIDN-LBPRGKRZSA-N 1 0 323.349 1.389 20 5 DDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NCC[N@H+]1CC=CCC1 ZINC000338710460 250100493 /nfs/dbraw/zinc/10/04/93/250100493.db2.gz HWVOKRUWAAQTMM-UHFFFAOYSA-N 1 0 304.350 1.628 20 5 DDBDRO CC[N@H+](CCNC(=O)COc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000338769348 250128777 /nfs/dbraw/zinc/12/87/77/250128777.db2.gz WLDLKYLRCBMEPZ-UHFFFAOYSA-N 1 0 309.366 1.820 20 5 DDBDRO O=C(NC[C@@H](O)C[NH+]1CCCC1)Nc1cccc([N+](=O)[O-])c1 ZINC000339044964 250267649 /nfs/dbraw/zinc/26/76/49/250267649.db2.gz RXQSXOBSVNDNGQ-CYBMUJFWSA-N 1 0 308.338 1.173 20 5 DDBDRO CC(C)N1C[C@H]([NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1=O ZINC000285057011 218272771 /nfs/dbraw/zinc/27/27/71/218272771.db2.gz IRPGCLITZKDWPO-CMPLNLGQSA-N 1 0 306.366 1.837 20 5 DDBDRO Cc1nc(N2CC[C@@H](C[NH+]3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000268479683 206743989 /nfs/dbraw/zinc/74/39/89/206743989.db2.gz LCJDGWCPENDRTR-ZDUSSCGKSA-N 1 0 306.366 1.457 20 5 DDBDRO CC(C)[C@@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1nncn1C ZINC000285416006 218425401 /nfs/dbraw/zinc/42/54/01/218425401.db2.gz PWTFPMTXVCHTAM-ZIAGYGMSSA-N 1 0 319.365 1.744 20 5 DDBDRO COCCN(C)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000061378260 184169807 /nfs/dbraw/zinc/16/98/07/184169807.db2.gz WNMRUHQSGIXMHA-UHFFFAOYSA-N 1 0 301.774 1.916 20 5 DDBDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000341064910 251364604 /nfs/dbraw/zinc/36/46/04/251364604.db2.gz HKNBFJXEHZCWPL-VXGBXAGGSA-N 1 0 308.382 1.926 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CCOC1CCCC1 ZINC000567679058 304233793 /nfs/dbraw/zinc/23/37/93/304233793.db2.gz JHWLEEORDVLQQF-ZDUSSCGKSA-N 1 0 324.377 1.883 20 5 DDBDRO C[C@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[NH2+]C1 ZINC000269193558 207311856 /nfs/dbraw/zinc/31/18/56/207311856.db2.gz KYARYOXBDWDNIM-NWDGAFQWSA-N 1 0 307.350 1.478 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H]2C[C@H]2c2cccc(F)c2)c1 ZINC000567699596 304234256 /nfs/dbraw/zinc/23/42/56/304234256.db2.gz UGFDVTAXDMHSFZ-SOUVJXGZSA-N 1 0 320.324 1.437 20 5 DDBDRO C[C@@H]1CN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC[C@H]1[NH3+] ZINC000269252529 207391368 /nfs/dbraw/zinc/39/13/68/207391368.db2.gz GSAMDSGFPBBEPA-IUODEOHRSA-N 1 0 320.393 1.983 20 5 DDBDRO COc1cc(N2C[C@@H](C)[N@H+](CCO)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000418996555 532958687 /nfs/dbraw/zinc/95/86/87/532958687.db2.gz FJSNLTQUGGGNER-VXGBXAGGSA-N 1 0 309.366 1.495 20 5 DDBDRO C[NH2+][C@H]1CCCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000417942553 533018466 /nfs/dbraw/zinc/01/84/66/533018466.db2.gz OJSCPEAFWRXAKK-ZDUSSCGKSA-N 1 0 306.366 1.531 20 5 DDBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](CCO)CC1CC1 ZINC000352458684 285063960 /nfs/dbraw/zinc/06/39/60/285063960.db2.gz NSMWTTMUZFJJFM-NSHDSACASA-N 1 0 307.350 1.626 20 5 DDBDRO C[C@@]1(CNC(=O)CNc2ccccc2[N+](=O)[O-])CCC[NH2+]C1 ZINC000273001215 210380316 /nfs/dbraw/zinc/38/03/16/210380316.db2.gz MYRGQXZQPNPDOX-OAHLLOKOSA-N 1 0 306.366 1.513 20 5 DDBDRO CC[N@@H+]1CCCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000272964683 210349593 /nfs/dbraw/zinc/34/95/93/210349593.db2.gz UBHVTBYMRUXXHE-CQSZACIVSA-N 1 0 323.393 1.362 20 5 DDBDRO COc1cc(OCC(=O)NC(C)(C)CC[NH3+])ccc1[N+](=O)[O-] ZINC000424049799 533090758 /nfs/dbraw/zinc/09/07/58/533090758.db2.gz ZBUWJLYFBVGRGW-UHFFFAOYSA-N 1 0 311.338 1.226 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000415498171 533140012 /nfs/dbraw/zinc/14/00/12/533140012.db2.gz IOQQENIUVLYUBN-QWRGUYRKSA-N 1 0 320.349 1.677 20 5 DDBDRO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000289525852 221040481 /nfs/dbraw/zinc/04/04/81/221040481.db2.gz AYSMATPTFCEYOJ-ZJUUUORDSA-N 1 0 309.753 1.930 20 5 DDBDRO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000289540716 221052640 /nfs/dbraw/zinc/05/26/40/221052640.db2.gz BQXURDDJKNKXQN-NXEZZACHSA-N 1 0 315.333 1.153 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CN1C[C@@H](C)[N@H+](CCO)C[C@@H]1C ZINC000419317799 533220898 /nfs/dbraw/zinc/22/08/98/533220898.db2.gz APMDUYWKCNIWBP-OLZOCXBDSA-N 1 0 323.393 1.490 20 5 DDBDRO C[C@H]([NH2+]CCCn1cc(CO)nn1)c1ccc([N+](=O)[O-])cc1 ZINC000289778672 221219187 /nfs/dbraw/zinc/21/91/87/221219187.db2.gz MORWUAYDTQUPMI-NSHDSACASA-N 1 0 305.338 1.420 20 5 DDBDRO C[C@@H]([NH2+]CCCn1cc(CO)nn1)c1cccc([N+](=O)[O-])c1 ZINC000289791684 221227853 /nfs/dbraw/zinc/22/78/53/221227853.db2.gz NHSBACRDQMBIPJ-LLVKDONJSA-N 1 0 305.338 1.420 20 5 DDBDRO COc1ccc(C(=O)NCCC[C@@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000294945834 224329334 /nfs/dbraw/zinc/32/93/34/224329334.db2.gz VQNVXDJKEHSAPE-LBPRGKRZSA-N 1 0 307.350 1.865 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N(C)[C@@H](C[NH3+])C1CC1 ZINC000414649316 533224539 /nfs/dbraw/zinc/22/45/39/533224539.db2.gz CIEJHGRTGSSYKC-LBPRGKRZSA-N 1 0 308.338 1.804 20 5 DDBDRO CSc1ccc(C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1[N+](=O)[O-] ZINC000290039656 221395703 /nfs/dbraw/zinc/39/57/03/221395703.db2.gz GMLGEMNIKHYDHU-NEPJUHHUSA-N 1 0 321.402 1.998 20 5 DDBDRO CN(CC[NH+](C)C)C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000295001701 224371602 /nfs/dbraw/zinc/37/16/02/224371602.db2.gz CBUXYSKBTNWKEP-UHFFFAOYSA-N 1 0 317.349 1.619 20 5 DDBDRO Cc1cc(NC(=O)NC[C@]2(O)CC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000352903249 285376265 /nfs/dbraw/zinc/37/62/65/285376265.db2.gz SFNSZGXVBDUGHD-CQSZACIVSA-N 1 0 308.338 1.091 20 5 DDBDRO COc1cc(C(=O)N2CC[C@H](C)[C@H]([NH3+])[C@@H]2C)ccc1[N+](=O)[O-] ZINC000297361105 533523944 /nfs/dbraw/zinc/52/39/44/533523944.db2.gz KQGDYHJFLUDFKW-BHDSKKPTSA-N 1 0 307.350 1.801 20 5 DDBDRO COc1ccc(CNC(=O)N2C[C@H](C)[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC000417199859 533604725 /nfs/dbraw/zinc/60/47/25/533604725.db2.gz ZGJWATASVFFTFV-WDEREUQCSA-N 1 0 322.365 1.495 20 5 DDBDRO CN(CC[NH+](C)C)C(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000272790907 289129259 /nfs/dbraw/zinc/12/92/59/289129259.db2.gz JRSMJYVKWFEGQQ-AWEZNQCLSA-N 1 0 320.349 1.108 20 5 DDBDRO CC[C@@H]1CN(C)CCN1C(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000569162471 304339292 /nfs/dbraw/zinc/33/92/92/304339292.db2.gz UGNJRLYFKNZICO-CYBMUJFWSA-N 1 0 321.377 1.835 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@@H]2CCN(C3CC3)C2)c1 ZINC000569449370 304354733 /nfs/dbraw/zinc/35/47/33/304354733.db2.gz KFDGLYZOTWJZRL-DOMZBBRYSA-N 1 0 321.377 1.161 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CCc1ccco1 ZINC000569594453 304367622 /nfs/dbraw/zinc/36/76/22/304367622.db2.gz AMAVMFZMFPPRDN-LBPRGKRZSA-N 1 0 306.318 1.760 20 5 DDBDRO CCc1n[nH]c(C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000579748978 422827332 /nfs/dbraw/zinc/82/73/32/422827332.db2.gz IRQNMSJGVRAZMA-UHFFFAOYSA-N 1 0 323.397 1.827 20 5 DDBDRO CCC[NH2+][C@H](C)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000569967355 304388443 /nfs/dbraw/zinc/38/84/43/304388443.db2.gz LEKPGIVMXIMIQF-LLVKDONJSA-N 1 0 309.370 1.343 20 5 DDBDRO CC(C)C[C@@H](CNC(=O)c1ccc(N)c([N+](=O)[O-])c1)[NH+](C)C ZINC000114377202 407566296 /nfs/dbraw/zinc/56/62/96/407566296.db2.gz FZHADTMJNIBYJD-LBPRGKRZSA-N 1 0 308.382 1.883 20 5 DDBDRO COCCOC[C@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000075953149 406946982 /nfs/dbraw/zinc/94/69/82/406946982.db2.gz VHEQOXDIMDCIKB-AWEZNQCLSA-N 1 0 324.377 1.959 20 5 DDBDRO C[NH+](C)[C@H](CNC(=O)Cn1cc([N+](=O)[O-])cn1)c1cccs1 ZINC000044669345 407029030 /nfs/dbraw/zinc/02/90/30/407029030.db2.gz MFYSPLBOKJSRAC-LLVKDONJSA-N 1 0 323.378 1.272 20 5 DDBDRO CC[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccs1 ZINC000049530320 407122223 /nfs/dbraw/zinc/12/22/23/407122223.db2.gz NIWCOMNHPBCZJE-VXGBXAGGSA-N 1 0 310.379 1.955 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@@H](n2cccn2)C1 ZINC000090524933 407168734 /nfs/dbraw/zinc/16/87/34/407168734.db2.gz OUDCIMBOEZKJMN-CYBMUJFWSA-N 1 0 317.349 1.290 20 5 DDBDRO C[C@H]([NH3+])[C@@H]1CCCCN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000063193848 407231661 /nfs/dbraw/zinc/23/16/61/407231661.db2.gz NXINKIYKZVQAEM-QWRGUYRKSA-N 1 0 313.379 1.485 20 5 DDBDRO CC[NH+](CC)[C@H]1CCN(C(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000124644897 407365193 /nfs/dbraw/zinc/36/51/93/407365193.db2.gz DNLMFGOGOQEGFI-NSHDSACASA-N 1 0 307.354 1.938 20 5 DDBDRO C[N@@H+]1CCC[C@H](CNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000108343036 407384829 /nfs/dbraw/zinc/38/48/29/407384829.db2.gz NWWYVTHUXKMEJE-SNVBAGLBSA-N 1 0 317.349 1.543 20 5 DDBDRO COc1cc(C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000109066002 407394391 /nfs/dbraw/zinc/39/43/91/407394391.db2.gz DZZDZKZGGHNRDV-AOOOYVTPSA-N 1 0 323.349 1.434 20 5 DDBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000111635721 407413052 /nfs/dbraw/zinc/41/30/52/407413052.db2.gz ZZFBIHIIUYUCKB-SNVBAGLBSA-N 1 0 308.338 1.300 20 5 DDBDRO C[NH2+]CCCN(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000127194206 407430471 /nfs/dbraw/zinc/43/04/71/407430471.db2.gz YMJXLZXDKNMEQC-UHFFFAOYSA-N 1 0 301.368 1.133 20 5 DDBDRO Cn1c(=O)c2ccc([N+](=O)[O-])cc2nc1SCC[NH+](C)C ZINC000185751992 407493114 /nfs/dbraw/zinc/49/31/14/407493114.db2.gz XZWLOGFCKPHZNI-UHFFFAOYSA-N 1 0 308.363 1.495 20 5 DDBDRO CC[C@H]1C[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@@H]1O ZINC000270968071 407442540 /nfs/dbraw/zinc/44/25/40/407442540.db2.gz VTOGBQOVBXQCDG-WFASDCNBSA-N 1 0 321.377 1.935 20 5 DDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@@](C)(C[NH3+])C1 ZINC000261674110 407574043 /nfs/dbraw/zinc/57/40/43/407574043.db2.gz JHVASLIZNCZIAG-ABAIWWIYSA-N 1 0 306.366 1.593 20 5 DDBDRO CS[C@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)C[C@H]1[NH+](C)C ZINC000271122573 407526580 /nfs/dbraw/zinc/52/65/80/407526580.db2.gz LBYGTYVTOWNOMU-ZJUUUORDSA-N 1 0 315.420 1.774 20 5 DDBDRO CCOc1ccc(NC(=O)CN2CCC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000261742301 407598745 /nfs/dbraw/zinc/59/87/45/407598745.db2.gz OAHFFTCHFXYHOE-UHFFFAOYSA-N 1 0 322.365 1.227 20 5 DDBDRO CC(C)C[C@@H]1OCCC[C@H]1[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000186343794 407639936 /nfs/dbraw/zinc/63/99/36/407639936.db2.gz LTYJEVKYQKNHIN-CABCVRRESA-N 1 0 323.393 1.940 20 5 DDBDRO C[C@@H]([NH3+])[C@@H]1CCCN(CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000261850773 407641690 /nfs/dbraw/zinc/64/16/90/407641690.db2.gz DLJGIGAKBCLUHQ-VXGBXAGGSA-N 1 0 306.366 1.593 20 5 DDBDRO C[C@@H](C(=O)NCCn1cc([N+](=O)[O-])cn1)[NH+]1CCCCCC1 ZINC000130003104 407642281 /nfs/dbraw/zinc/64/22/81/407642281.db2.gz VADHSQPRJIGAKF-LBPRGKRZSA-N 1 0 309.370 1.172 20 5 DDBDRO C[NH2+]C[C@@H]1CCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000178999732 407688536 /nfs/dbraw/zinc/68/85/36/407688536.db2.gz IFWWHTJRJKQEKV-JTQLQIEISA-N 1 0 311.313 1.181 20 5 DDBDRO CC[C@@H]1CN(c2nccc(C)c2[N+](=O)[O-])CC[N@@H+]1C[C@@H](C)O ZINC000115517062 407690210 /nfs/dbraw/zinc/69/02/10/407690210.db2.gz LHWXDKDBNPZDAD-CHWSQXEVSA-N 1 0 308.382 1.580 20 5 DDBDRO CCc1n[nH]c(C(=O)NC2CCC(C[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000179010527 407691073 /nfs/dbraw/zinc/69/10/73/407691073.db2.gz AOTXUXLMCBVRBA-UHFFFAOYSA-N 1 0 323.397 1.731 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@H]2OCCN(C)[C@@H]2C1 ZINC000152949304 407722193 /nfs/dbraw/zinc/72/21/93/407722193.db2.gz HEEIWRLBZOCLHE-ZIAGYGMSSA-N 1 0 305.334 1.058 20 5 DDBDRO C[NH2+][C@H](C)Cc1noc(CN(C)c2ccccc2[N+](=O)[O-])n1 ZINC000261906212 407663078 /nfs/dbraw/zinc/66/30/78/407663078.db2.gz ZCJBCIVGBZUNOP-SNVBAGLBSA-N 1 0 305.338 1.765 20 5 DDBDRO COc1ccc(C[NH2+]CCN2CCOC(C)(C)C2)cc1[N+](=O)[O-] ZINC000171676140 407739518 /nfs/dbraw/zinc/73/95/18/407739518.db2.gz WGHMNEXUMYWQGS-UHFFFAOYSA-N 1 0 323.393 1.804 20 5 DDBDRO COCC[N@H+]1[C@H](C)CN(c2nccc(C)c2[N+](=O)[O-])C[C@@H]1C ZINC000131924625 407759480 /nfs/dbraw/zinc/75/94/80/407759480.db2.gz JUINSWVWQSQZOM-BETUJISGSA-N 1 0 308.382 1.844 20 5 DDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NCC[NH2+]C2CC2)cc1OC ZINC000237050366 407792077 /nfs/dbraw/zinc/79/20/77/407792077.db2.gz RQONEPYLFPDYAL-UHFFFAOYSA-N 1 0 323.349 1.484 20 5 DDBDRO C[NH2+]C[C@@H](C)CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000237347185 407816672 /nfs/dbraw/zinc/81/66/72/407816672.db2.gz MDKWAGXZOYSZOG-LLVKDONJSA-N 1 0 317.349 1.366 20 5 DDBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2nn(C)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000272467534 407935664 /nfs/dbraw/zinc/93/56/64/407935664.db2.gz WIABJMJPDXLUSI-GHMZBOCLSA-N 1 0 309.370 1.131 20 5 DDBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CC[NH2+]C1 ZINC000273038524 408030967 /nfs/dbraw/zinc/03/09/67/408030967.db2.gz OKYTXWCYBOADJB-MNOVXSKESA-N 1 0 309.391 1.801 20 5 DDBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)COc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000272570170 407987857 /nfs/dbraw/zinc/98/78/57/407987857.db2.gz FTCDKOMRRXAYDK-WFASDCNBSA-N 1 0 319.361 1.526 20 5 DDBDRO COCCN1CCN(c2ccc([N+](=O)[O-])cc2COC)CC1 ZINC000174968322 408017770 /nfs/dbraw/zinc/01/77/70/408017770.db2.gz ISKMXEVKISLVMG-UHFFFAOYSA-N 1 0 309.366 1.510 20 5 DDBDRO C[NH+](C)C1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000182243889 408102716 /nfs/dbraw/zinc/10/27/16/408102716.db2.gz NNRMCZCZWCUUIC-AWEZNQCLSA-N 1 0 323.393 1.361 20 5 DDBDRO COCC[N@H+](C)CCNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000136858162 408130493 /nfs/dbraw/zinc/13/04/93/408130493.db2.gz FWCFWOSESWZJHA-UHFFFAOYSA-N 1 0 315.757 1.556 20 5 DDBDRO C[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])CC1(CO)CC1 ZINC000190009714 408145714 /nfs/dbraw/zinc/14/57/14/408145714.db2.gz AHZFOKCVOXAIOA-GFCCVEGCSA-N 1 0 310.350 1.039 20 5 DDBDRO O=[N+]([O-])c1cnc(N2CCN(Cc3ccccn3)CC2)s1 ZINC000190309289 408216813 /nfs/dbraw/zinc/21/68/13/408216813.db2.gz XPOWSLQAXNNDGB-UHFFFAOYSA-N 1 0 305.363 1.769 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000274202107 408322958 /nfs/dbraw/zinc/32/29/58/408322958.db2.gz UHEWCWQMPJTZKE-OAHLLOKOSA-N 1 0 323.324 1.325 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000269333249 408272545 /nfs/dbraw/zinc/27/25/45/408272545.db2.gz ATGZKHRKRVHBSG-WDEREUQCSA-N 1 0 323.397 1.996 20 5 DDBDRO C[C@@H](O)[C@@H]1CC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000183182425 408345679 /nfs/dbraw/zinc/34/56/79/408345679.db2.gz UVZJBTZZAIWLEJ-ZYHUDNBSSA-N 1 0 318.333 1.848 20 5 DDBDRO Cn1cc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cn1 ZINC000173466646 162340300 /nfs/dbraw/zinc/34/03/00/162340300.db2.gz ARMXDQKYESMEPD-GFCCVEGCSA-N 1 0 302.338 1.410 20 5 DDBDRO CC(C)C[C@H](CNC(=O)c1cc([N+](=O)[O-])cnc1N)[NH+](C)C ZINC000183622866 408456897 /nfs/dbraw/zinc/45/68/97/408456897.db2.gz PUUGHSJVIADMGX-SNVBAGLBSA-N 1 0 309.370 1.278 20 5 DDBDRO COCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000264544052 408529719 /nfs/dbraw/zinc/52/97/19/408529719.db2.gz OFBOKHXSEIYRIR-CYBMUJFWSA-N 1 0 307.350 1.354 20 5 DDBDRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)Cc3ccc([N+](=O)[O-])cc3Cl)C[C@H]12 ZINC000248562531 408587459 /nfs/dbraw/zinc/58/74/59/408587459.db2.gz BCFCMYZCXMFWNT-SCDSUCTJSA-N 1 0 323.780 1.986 20 5 DDBDRO Cc1c(CC(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000192464469 408591374 /nfs/dbraw/zinc/59/13/74/408591374.db2.gz PFQUEZNWFWUFMR-OKILXGFUSA-N 1 0 303.362 1.466 20 5 DDBDRO O=[N+]([O-])c1cnc(N2CCC([NH2+]CCO)CC2)c(Cl)c1 ZINC000270595895 408594906 /nfs/dbraw/zinc/59/49/06/408594906.db2.gz WXJXGBFJVONEPI-UHFFFAOYSA-N 1 0 300.746 1.194 20 5 DDBDRO CCn1nc(C)c([N+](=O)[O-])c1NCC1([NH+](C)C)CCOCC1 ZINC000192595810 408616042 /nfs/dbraw/zinc/61/60/42/408616042.db2.gz VVKZXOMWIWZTMC-UHFFFAOYSA-N 1 0 311.386 1.642 20 5 DDBDRO CC(C)OC(=O)C[C@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000184498499 408629749 /nfs/dbraw/zinc/62/97/49/408629749.db2.gz OCSHAEYGQLDDFB-CYBMUJFWSA-N 1 0 324.381 1.845 20 5 DDBDRO CCCc1n[nH]c(C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000177562498 408657201 /nfs/dbraw/zinc/65/72/01/408657201.db2.gz HRIBHUNEUYLXSH-GHMZBOCLSA-N 1 0 323.397 1.873 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NCC1(O)CC[NH+](C)CC1 ZINC000275811343 408684967 /nfs/dbraw/zinc/68/49/67/408684967.db2.gz UZDUDZJZPQJBSJ-UHFFFAOYSA-N 1 0 322.365 1.481 20 5 DDBDRO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000185215778 408781614 /nfs/dbraw/zinc/78/16/14/408781614.db2.gz UYTKYHJSMOFMBR-JTQLQIEISA-N 1 0 307.354 1.128 20 5 DDBDRO CNC(=O)[C@]1(C)CC[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000281322777 408881117 /nfs/dbraw/zinc/88/11/17/408881117.db2.gz YECQAMMQYQKFMN-OAHLLOKOSA-N 1 0 307.350 1.561 20 5 DDBDRO CC(C)[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000291730409 408913972 /nfs/dbraw/zinc/91/39/72/408913972.db2.gz JNQUXPVYRWGIOO-CABCVRRESA-N 1 0 324.377 1.834 20 5 DDBDRO CCOC[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C(C)C ZINC000286073083 408918384 /nfs/dbraw/zinc/91/83/84/408918384.db2.gz JRSVCAYAWYVUKT-ZDUSSCGKSA-N 1 0 309.366 1.844 20 5 DDBDRO COc1cc(C(=O)N2CC[NH+]3CCC2CC3)cc([N+](=O)[O-])c1C ZINC000190854965 163161011 /nfs/dbraw/zinc/16/10/11/163161011.db2.gz MYEKWYTVFOVMDW-UHFFFAOYSA-N 1 0 319.361 1.832 20 5 DDBDRO CCN1CCC[C@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000194394030 163281905 /nfs/dbraw/zinc/28/19/05/163281905.db2.gz BNZLDCNPGHZDNI-VIFPVBQESA-N 1 0 319.408 1.419 20 5 DDBDRO C[C@@H](O)C[N@@H+]1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H]1C ZINC000277482210 408948770 /nfs/dbraw/zinc/94/87/70/408948770.db2.gz CPGBAXREHGDQDY-WDEREUQCSA-N 1 0 319.365 1.362 20 5 DDBDRO C[C@@H]1COCC[C@@H]1[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000277568191 408966447 /nfs/dbraw/zinc/96/64/47/408966447.db2.gz UWPAPSVWFHZQEM-NEPJUHHUSA-N 1 0 307.350 1.938 20 5 DDBDRO C[C@@H]1C[N@H+](CCCNC(=O)c2ccc([N+](=O)[O-])[nH]2)CCCO1 ZINC000277619718 408978577 /nfs/dbraw/zinc/97/85/77/408978577.db2.gz QWGAUCABUBPVER-LLVKDONJSA-N 1 0 310.354 1.154 20 5 DDBDRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@@H+]2CCn1cc([N+](=O)[O-])ccc1=O ZINC000286435533 408985857 /nfs/dbraw/zinc/98/58/57/408985857.db2.gz JBFVOYUNKKICJH-XNHOIOAFSA-N 1 0 319.361 1.112 20 5 DDBDRO Nc1ccc(N2CC[NH+](CC3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000287335616 409021246 /nfs/dbraw/zinc/02/12/46/409021246.db2.gz ONFNJNQNLGWRFV-UHFFFAOYSA-N 1 0 320.393 1.726 20 5 DDBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000287394633 409030189 /nfs/dbraw/zinc/03/01/89/409030189.db2.gz YNUFGQIQFMWUOL-OCCSQVGLSA-N 1 0 321.381 1.267 20 5 DDBDRO [NH3+][C@@H]1CC[C@@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])s3)C[C@H]12 ZINC000248594445 163600712 /nfs/dbraw/zinc/60/07/12/163600712.db2.gz HUWPRGGXOIASEA-HRDYMLBCSA-N 1 0 317.392 1.014 20 5 DDBDRO Cc1c(C(=O)N2CC[C@@H]([N@H+](C)CCO)[C@H]2C)cccc1[N+](=O)[O-] ZINC000293605947 409146300 /nfs/dbraw/zinc/14/63/00/409146300.db2.gz HELXVIAYJIZCAN-IUODEOHRSA-N 1 0 321.377 1.430 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[NH2+]C[C@@H]1C ZINC000261758255 163697619 /nfs/dbraw/zinc/69/76/19/163697619.db2.gz LBXVGVCMLROJDH-LBPRGKRZSA-N 1 0 306.366 1.526 20 5 DDBDRO C[NH2+][C@@H]1CCCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000261783810 163703104 /nfs/dbraw/zinc/70/31/04/163703104.db2.gz POVRXUULELZDKF-QWHCGFSZSA-N 1 0 320.393 1.914 20 5 DDBDRO C[NH+](C)CCn1nccc1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000294163311 409251833 /nfs/dbraw/zinc/25/18/33/409251833.db2.gz SCBGLCMYJSLLCW-UHFFFAOYSA-N 1 0 309.351 1.667 20 5 DDBDRO COc1cc(OCC(=O)N2CC[C@](C)(C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000262185257 163782554 /nfs/dbraw/zinc/78/25/54/163782554.db2.gz ZJOXBMLHOARARU-OAHLLOKOSA-N 1 0 323.349 1.180 20 5 DDBDRO COC(=O)CC1([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)CCCC1 ZINC000280319938 409291201 /nfs/dbraw/zinc/29/12/01/409291201.db2.gz GRMGOSZZYBSVIL-UHFFFAOYSA-N 1 0 323.349 1.222 20 5 DDBDRO C[C@@H]1CN(CCOc2cccc([N+](=O)[O-])c2)C[C@@]2(CCOC2)O1 ZINC000280507076 409332249 /nfs/dbraw/zinc/33/22/49/409332249.db2.gz NINIUUHUPPEYNQ-CZUORRHYSA-N 1 0 322.361 1.853 20 5 DDBDRO C[N@H+](C[C@@H](O)CN1CC(Oc2ccc([N+](=O)[O-])cc2)C1)C1CC1 ZINC000290493134 409421498 /nfs/dbraw/zinc/42/14/98/409421498.db2.gz ABHJPSJNCPVFDR-CQSZACIVSA-N 1 0 321.377 1.113 20 5 DDBDRO O=C(NCCCCC[NH+]1CCCCC1)c1cc([N+](=O)[O-])n[nH]1 ZINC000285390712 409422770 /nfs/dbraw/zinc/42/27/70/409422770.db2.gz AKUYFJKLPGHBTQ-UHFFFAOYSA-N 1 0 309.370 1.704 20 5 DDBDRO CS[C@@H]1CCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000296120948 409437221 /nfs/dbraw/zinc/43/72/21/409437221.db2.gz FNKLHGLBFALPDJ-CYBMUJFWSA-N 1 0 309.391 1.995 20 5 DDBDRO CC[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000295379009 409456721 /nfs/dbraw/zinc/45/67/21/409456721.db2.gz XLGZSNQKOKEZQW-UHFFFAOYSA-N 1 0 312.345 1.481 20 5 DDBDRO CNc1c(C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000317286344 164026962 /nfs/dbraw/zinc/02/69/62/164026962.db2.gz KMXJZRUAOOBCEG-QWRGUYRKSA-N 1 0 306.366 1.849 20 5 DDBDRO C[NH+]1CCN(CCNc2ccnc3c2cccc3[N+](=O)[O-])CC1 ZINC000322031388 164046298 /nfs/dbraw/zinc/04/62/98/164046298.db2.gz KWVNEHVLSVFOBR-UHFFFAOYSA-N 1 0 315.377 1.802 20 5 DDBDRO CC[C@@H](CO)N(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000295387692 409462354 /nfs/dbraw/zinc/46/23/54/409462354.db2.gz BCBKJRAIKRZMMJ-VIFPVBQESA-N 1 0 315.757 1.889 20 5 DDBDRO C[NH+](C)Cc1cccc(CNC(=O)c2cc([N+](=O)[O-])n[nH]2)c1 ZINC000285487634 409464702 /nfs/dbraw/zinc/46/47/02/409464702.db2.gz OTODZHABPGLYGE-UHFFFAOYSA-N 1 0 303.322 1.310 20 5 DDBDRO CS[C@@H]1CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000296233472 409473494 /nfs/dbraw/zinc/47/34/94/409473494.db2.gz KTIWJEMKZCPREF-NWDGAFQWSA-N 1 0 312.391 1.772 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000408051932 164210027 /nfs/dbraw/zinc/21/00/27/164210027.db2.gz MFPFTYCRTRILTN-UHFFFAOYSA-N 1 0 321.381 1.419 20 5 DDBDRO CC1(C)CN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC[NH2+]1 ZINC000408321862 164296505 /nfs/dbraw/zinc/29/65/05/164296505.db2.gz WCCGPKIJHQYGHG-UHFFFAOYSA-N 1 0 302.334 1.900 20 5 DDBDRO O=C1NC(=O)C2(CCC([NH2+]Cc3csc([N+](=O)[O-])c3)CC2)N1 ZINC000285595642 409501650 /nfs/dbraw/zinc/50/16/50/409501650.db2.gz WHLWWDNKNISSMO-UHFFFAOYSA-N 1 0 324.362 1.267 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)n1 ZINC000331452804 409524422 /nfs/dbraw/zinc/52/44/22/409524422.db2.gz XUBURZRITRORJU-NSHDSACASA-N 1 0 321.381 1.558 20 5 DDBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCNS(C)(=O)=O ZINC000344841948 409526291 /nfs/dbraw/zinc/52/62/91/409526291.db2.gz FBYPKXALMYYOLW-FLIBITNWSA-N 1 0 313.379 1.137 20 5 DDBDRO CC[C@H](C)[NH+]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000296792656 409641062 /nfs/dbraw/zinc/64/10/62/409641062.db2.gz DLIPKCUPYCVPCA-JTQLQIEISA-N 1 0 324.356 1.872 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@@H]2c2ccccc2)c1 ZINC000304339056 409611103 /nfs/dbraw/zinc/61/11/03/409611103.db2.gz PGALAKOWPHARFT-JKSUJKDBSA-N 1 0 316.361 1.989 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)n1 ZINC000331584514 409663569 /nfs/dbraw/zinc/66/35/69/409663569.db2.gz MXTZUVSNLJZRQY-NEPJUHHUSA-N 1 0 321.381 1.510 20 5 DDBDRO COCCCNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296848565 409666534 /nfs/dbraw/zinc/66/65/34/409666534.db2.gz XUCPFWQWDNTLLS-RYUDHWBXSA-N 1 0 309.366 1.787 20 5 DDBDRO C[N@@H+]1CC[C@H]2OCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)[C@@H]2C1 ZINC000296854760 409669449 /nfs/dbraw/zinc/66/94/49/409669449.db2.gz UMCMRHATTRNQIO-ZIAGYGMSSA-N 1 0 317.349 1.380 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[N@@H+](C)[C@@H](C)[C@@H]1C ZINC000356979644 409763705 /nfs/dbraw/zinc/76/37/05/409763705.db2.gz DMPQLUPTUSTFHT-STQMWFEESA-N 1 0 320.393 1.866 20 5 DDBDRO COC(=O)Cc1ccc(N2CC[C@@H](C[NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000297133838 409820345 /nfs/dbraw/zinc/82/03/45/409820345.db2.gz NFLWTHLVVBNMLB-ZDUSSCGKSA-N 1 0 321.377 1.698 20 5 DDBDRO CC[N@@H+]1CCC[C@@H]1CN(C)c1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000342788902 409907620 /nfs/dbraw/zinc/90/76/20/409907620.db2.gz NYJOYXYCWNNUIR-LLVKDONJSA-N 1 0 306.366 1.614 20 5 DDBDRO C[C@H](C[NH+](C)C)NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000346229933 409870477 /nfs/dbraw/zinc/87/04/77/409870477.db2.gz SOBAOSOLUBAVQR-LLVKDONJSA-N 1 0 317.349 1.460 20 5 DDBDRO C[C@@H](CNc1nccc(C(N)=O)c1[N+](=O)[O-])[N@@H+]1CCCC[C@H]1C ZINC000357308665 409967834 /nfs/dbraw/zinc/96/78/34/409967834.db2.gz WQTOKLLVZUTBRL-MNOVXSKESA-N 1 0 321.381 1.764 20 5 DDBDRO CCC[NH+]1CCC(CNC(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000354558533 409940736 /nfs/dbraw/zinc/94/07/36/409940736.db2.gz YXABAACALKWGKP-UHFFFAOYSA-N 1 0 323.397 1.420 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1-c1nc(-c2ccn3c[nH+]cc3c2)no1 ZINC000351085940 410034676 /nfs/dbraw/zinc/03/46/76/410034676.db2.gz LGAUDFKHNOQODJ-UHFFFAOYSA-N 1 0 311.261 1.693 20 5 DDBDRO CNC(=O)CCOC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000355136122 410333932 /nfs/dbraw/zinc/33/39/32/410333932.db2.gz OYVLSWZCXPHLNA-UHFFFAOYSA-N 1 0 321.377 1.712 20 5 DDBDRO CCCC[N@H+](CCO)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000298664502 410336939 /nfs/dbraw/zinc/33/69/39/410336939.db2.gz GDRARNLCCGADTO-CQSZACIVSA-N 1 0 312.366 1.429 20 5 DDBDRO C[NH+](C)CC1(NS(=O)(=O)c2ccc([N+](=O)[O-])s2)CCC1 ZINC000355293705 410424068 /nfs/dbraw/zinc/42/40/68/410424068.db2.gz FONZRPPJAVIVDZ-UHFFFAOYSA-N 1 0 319.408 1.419 20 5 DDBDRO CCOC(=O)CC[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000343401965 410424526 /nfs/dbraw/zinc/42/45/26/410424526.db2.gz VZCYOANGYJWCQX-UHFFFAOYSA-N 1 0 323.349 1.808 20 5 DDBDRO O=[N+]([O-])c1ccc(OCC[N@H+]2CCSC[C@@H]2CCO)cc1 ZINC000347365396 410498640 /nfs/dbraw/zinc/49/86/40/410498640.db2.gz HHYXYJZJVPNADN-ZDUSSCGKSA-N 1 0 312.391 1.773 20 5 DDBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CC[NH+](C[C@H](C)O)CC1 ZINC000347364613 410499771 /nfs/dbraw/zinc/49/97/71/410499771.db2.gz BWSPQGYBANTEDV-LTBFUDJGSA-N 1 0 319.405 1.997 20 5 DDBDRO C[C@H]1C[C@@H](C(=O)NCCNc2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000358674461 410514482 /nfs/dbraw/zinc/51/44/82/410514482.db2.gz AKXHOMNDQODHKV-RYUDHWBXSA-N 1 0 306.366 1.511 20 5 DDBDRO CC[NH+]1CCN(CCC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000352191210 410535859 /nfs/dbraw/zinc/53/58/59/410535859.db2.gz SQYRFZYWKZHZOP-UHFFFAOYSA-N 1 0 324.356 1.700 20 5 DDBDRO C[C@@H]1[C@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2)CCC[N@@H+]1C ZINC000343612222 410571653 /nfs/dbraw/zinc/57/16/53/410571653.db2.gz VNXXGSLPKKRKBI-BXUZGUMPSA-N 1 0 306.366 1.877 20 5 DDBDRO CC[N@H+](CCNC(=O)c1cccc([N+](=O)[O-])c1OC)C1CC1 ZINC000355631193 410616704 /nfs/dbraw/zinc/61/67/04/410616704.db2.gz DKWZRWXHBPOJMQ-UHFFFAOYSA-N 1 0 307.350 1.818 20 5 DDBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)C1(CCO)CCOCC1 ZINC000352998533 410725391 /nfs/dbraw/zinc/72/53/91/410725391.db2.gz RSFITBVQCOPNBF-UHFFFAOYSA-N 1 0 324.377 1.837 20 5 DDBDRO C[C@@H](CNC(=O)c1nn(C)cc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC000330560761 410779058 /nfs/dbraw/zinc/77/90/58/410779058.db2.gz HVPLTSJTTGJUNV-MNOVXSKESA-N 1 0 309.370 1.179 20 5 DDBDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000330579884 410794367 /nfs/dbraw/zinc/79/43/67/410794367.db2.gz IIXFFANDUBLSPZ-RYUDHWBXSA-N 1 0 307.350 1.525 20 5 DDBDRO CC1CC[NH+](CCNc2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000301825377 410806463 /nfs/dbraw/zinc/80/64/63/410806463.db2.gz DQWDJUHSWCDKLJ-UHFFFAOYSA-N 1 0 304.354 1.781 20 5 DDBDRO CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000353177805 410832562 /nfs/dbraw/zinc/83/25/62/410832562.db2.gz IKZFHIRUGWATOH-OLZOCXBDSA-N 1 0 307.350 1.608 20 5 DDBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])n2C)[C@H](C)C1 ZINC000356284385 410944173 /nfs/dbraw/zinc/94/41/73/410944173.db2.gz PBYBKJYFDVZRCO-NEPJUHHUSA-N 1 0 308.382 1.736 20 5 DDBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@H](CN3CCOCC3)C2)cc1 ZINC000129539778 196056200 /nfs/dbraw/zinc/05/62/00/196056200.db2.gz WDNFHIONDOKXGO-INIZCTEOSA-N 1 0 319.405 1.791 20 5 DDBDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(c2ncc([N+](=O)[O-])c(N)n2)C[C@@H](C)C1 ZINC000488756840 416560747 /nfs/dbraw/zinc/56/07/47/416560747.db2.gz WXUHWAPJSSCJHP-AXFHLTTASA-N 1 0 306.370 1.134 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000417172966 225232512 /nfs/dbraw/zinc/23/25/12/225232512.db2.gz GPFKPCORINCVJP-GHMZBOCLSA-N 1 0 322.365 1.482 20 5 DDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC2(CC[NH2+]2)CC1 ZINC000422631853 227081563 /nfs/dbraw/zinc/08/15/63/227081563.db2.gz FZZAOCTXQSZZHZ-GFCCVEGCSA-N 1 0 318.377 1.750 20 5 DDBDRO C[C@@H]1OCC[C@@]12CN(Cc1c([N+](=O)[O-])ncn1C)C[C@@H](C)O2 ZINC000366085782 418428616 /nfs/dbraw/zinc/42/86/16/418428616.db2.gz HBWCOSCTKYTGRL-UHIISALHSA-N 1 0 310.354 1.097 20 5 DDBDRO CC(C)OC[C@H](O)C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000192989092 418528517 /nfs/dbraw/zinc/52/85/17/418528517.db2.gz HHPNSTAWAUIELR-MRXNPFEDSA-N 1 0 323.393 1.503 20 5 DDBDRO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000374821517 418566126 /nfs/dbraw/zinc/56/61/26/418566126.db2.gz FRFKWPNRJQVBRI-JTQLQIEISA-N 1 0 322.340 1.626 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000374639956 418550010 /nfs/dbraw/zinc/55/00/10/418550010.db2.gz BRGWIPCZFIQQRY-BPNCWPANSA-N 1 0 304.350 1.498 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)n1 ZINC000191632772 222106464 /nfs/dbraw/zinc/10/64/64/222106464.db2.gz PDMPXYUYXRYKGZ-WDEREUQCSA-N 1 0 309.370 1.223 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](C[N@H+](C)CC)C2)n1 ZINC000191830405 222109610 /nfs/dbraw/zinc/10/96/10/222109610.db2.gz WQTYDVDRZAXOKV-LLVKDONJSA-N 1 0 309.370 1.225 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CCN(Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C[C@H]21 ZINC000375015953 418588910 /nfs/dbraw/zinc/58/89/10/418588910.db2.gz DHABDNAWXQEBJG-IAQYHMDHSA-N 1 0 318.377 1.220 20 5 DDBDRO C[N@@H+]1CC[C@H]2CCN(c3ccc(C(N)=O)cc3[N+](=O)[O-])C[C@H]21 ZINC000375052761 418595810 /nfs/dbraw/zinc/59/58/10/418595810.db2.gz ZLZVUUFUZYGOEC-IINYFYTJSA-N 1 0 304.350 1.224 20 5 DDBDRO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000367648940 418619334 /nfs/dbraw/zinc/61/93/34/418619334.db2.gz NZAAIPWNFNBBKP-BTOWRCTQSA-N 1 0 319.361 1.936 20 5 DDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@]2(CCC[C@H]2[NH3+])C1 ZINC000367647651 418619511 /nfs/dbraw/zinc/61/95/11/418619511.db2.gz CDJGMAQVXPWQGN-HIFRSBDPSA-N 1 0 304.350 1.521 20 5 DDBDRO C[C@@H]1C[C@H](Nc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CC[N@@H+]1C ZINC000342362607 418627779 /nfs/dbraw/zinc/62/77/79/418627779.db2.gz QRSDBNNVDMDYND-NXEZZACHSA-N 1 0 317.349 2.138 20 5 DDBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1c([N+](=O)[O-])cnn1C ZINC000408103124 418788640 /nfs/dbraw/zinc/78/86/40/418788640.db2.gz KREGURGQMXYBNQ-MNOVXSKESA-N 1 0 307.354 1.027 20 5 DDBDRO COc1cc(C(=O)NC(C)(C)C[NH+](C)C)c([N+](=O)[O-])cc1F ZINC000411104469 418868981 /nfs/dbraw/zinc/86/89/81/418868981.db2.gz YAPBILPIWZIROB-UHFFFAOYSA-N 1 0 313.329 1.813 20 5 DDBDRO C[N@@H+]1CCC[C@@H](N2CCN(c3cc(F)ccc3[N+](=O)[O-])CC2)C1 ZINC000365100676 418837553 /nfs/dbraw/zinc/83/75/53/418837553.db2.gz PPFUCTDQZMEIDH-CQSZACIVSA-N 1 0 322.384 1.950 20 5 DDBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000372912198 418913868 /nfs/dbraw/zinc/91/38/68/418913868.db2.gz OCULTKJFPDOKMD-YYAKZPHOSA-N 1 0 301.346 1.818 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000424003199 227851592 /nfs/dbraw/zinc/85/15/92/227851592.db2.gz DJHFGHQPXRSRNL-MNOVXSKESA-N 1 0 307.350 1.660 20 5 DDBDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000417934697 419398686 /nfs/dbraw/zinc/39/86/86/419398686.db2.gz FWJKHLNLULMJSY-DGCLKSJQSA-N 1 0 306.366 1.516 20 5 DDBDRO C[NH+](C)C1CCC(NC(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000421089276 419482373 /nfs/dbraw/zinc/48/23/73/419482373.db2.gz SLIBXQBFCVHMOF-UHFFFAOYSA-N 1 0 307.354 1.406 20 5 DDBDRO C[C@@H]1CC[C@H](O)C[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000421002940 419436608 /nfs/dbraw/zinc/43/66/08/419436608.db2.gz BYHULHAPJANSOQ-XBFCOCLRSA-N 1 0 310.350 1.180 20 5 DDBDRO CCOc1cc(C[NH2+][C@H](CO)[C@H]2CCCOC2)ccc1[N+](=O)[O-] ZINC000411993364 419554011 /nfs/dbraw/zinc/55/40/11/419554011.db2.gz ZAQUAJJIIIDPTO-UONOGXRCSA-N 1 0 324.377 1.871 20 5 DDBDRO Cc1c(CNC(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000418079075 419515445 /nfs/dbraw/zinc/51/54/45/419515445.db2.gz KGEVHWVYHCAJJO-KBPBESRZSA-N 1 0 318.377 1.654 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000427074819 419590425 /nfs/dbraw/zinc/59/04/25/419590425.db2.gz QHBMZTFDJSHHTF-UHFFFAOYSA-N 1 0 319.361 1.985 20 5 DDBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000418388661 419766852 /nfs/dbraw/zinc/76/68/52/419766852.db2.gz STJLOFBTCIDHJT-CYBMUJFWSA-N 1 0 306.366 1.877 20 5 DDBDRO CC(C)([NH3+])CNC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000418412111 419783386 /nfs/dbraw/zinc/78/33/86/419783386.db2.gz HAFQIERFZMQBNJ-UHFFFAOYSA-N 1 0 308.338 1.236 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000421771474 419721498 /nfs/dbraw/zinc/72/14/98/419721498.db2.gz WYWOSGIIOWRLGR-CYBMUJFWSA-N 1 0 320.393 1.187 20 5 DDBDRO C[NH+](C)C1CCC(NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC1 ZINC000422130604 419852592 /nfs/dbraw/zinc/85/25/92/419852592.db2.gz LEQSWQWHNCAADC-UHFFFAOYSA-N 1 0 308.338 1.298 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000299263966 229016196 /nfs/dbraw/zinc/01/61/96/229016196.db2.gz WMZWNTVRDGMPQO-LLVKDONJSA-N 1 0 308.338 1.819 20 5 DDBDRO COCC[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCCSC1 ZINC000433189202 229169536 /nfs/dbraw/zinc/16/95/36/229169536.db2.gz DJOVJRQYTUDSDG-GFCCVEGCSA-N 1 0 314.411 1.635 20 5 DDBDRO C[C@@H](NC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1)[C@H](C)[NH3+] ZINC000418690628 419936898 /nfs/dbraw/zinc/93/68/98/419936898.db2.gz CZRHGYAMVNCNIC-VHSXEESVSA-N 1 0 308.338 1.235 20 5 DDBDRO CCC[N@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)CC(N)=O ZINC000429168398 419980297 /nfs/dbraw/zinc/98/02/97/419980297.db2.gz PESBKGIIIQBHGU-UHFFFAOYSA-N 1 0 322.365 1.429 20 5 DDBDRO COc1ccc(NC(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)cc1[N+](=O)[O-] ZINC000415443195 420067895 /nfs/dbraw/zinc/06/78/95/420067895.db2.gz QTWLMTDAZIQLTQ-QWRGUYRKSA-N 1 0 320.349 1.677 20 5 DDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000423441025 420051958 /nfs/dbraw/zinc/05/19/58/420051958.db2.gz IYAPVIFFRZIBMV-ZDUSSCGKSA-N 1 0 318.377 1.781 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000415507717 420094577 /nfs/dbraw/zinc/09/45/77/420094577.db2.gz TXHYDJSBCJSAPM-LLVKDONJSA-N 1 0 324.337 1.103 20 5 DDBDRO C[NH2+]C[C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000415507862 420095285 /nfs/dbraw/zinc/09/52/85/420095285.db2.gz UITQNNKUQDJSDP-JTQLQIEISA-N 1 0 308.338 1.677 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000415508111 420095431 /nfs/dbraw/zinc/09/54/31/420095431.db2.gz ULQKNQRRQJYYGU-ZJUUUORDSA-N 1 0 308.338 1.818 20 5 DDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000423644805 420111794 /nfs/dbraw/zinc/11/17/94/420111794.db2.gz PNLYNVPHBVTYMZ-GFCCVEGCSA-N 1 0 318.377 1.639 20 5 DDBDRO Cc1c(NC(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)cccc1[N+](=O)[O-] ZINC000415567865 420114386 /nfs/dbraw/zinc/11/43/86/420114386.db2.gz QMGZFMMTMJKQMK-NXEZZACHSA-N 1 0 320.349 1.051 20 5 DDBDRO C[C@@]1([NH3+])CCCC[C@@H]1C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000423723666 420142516 /nfs/dbraw/zinc/14/25/16/420142516.db2.gz LWWISPLUSXMARP-IAQYHMDHSA-N 1 0 317.349 2.317 20 5 DDBDRO COc1ccc(NC(=O)N[C@H]2CC[NH2+]C2(C)C)cc1[N+](=O)[O-] ZINC000415448596 420071462 /nfs/dbraw/zinc/07/14/62/420071462.db2.gz VDQYSPMYUKEBBQ-LBPRGKRZSA-N 1 0 308.338 1.865 20 5 DDBDRO C[NH2+]CC1CCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000430941925 420216525 /nfs/dbraw/zinc/21/65/25/420216525.db2.gz AGMRYHIIOMDZAM-LBPRGKRZSA-N 1 0 320.393 1.853 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000420328706 420213585 /nfs/dbraw/zinc/21/35/85/420213585.db2.gz FLJPCWOESYKFGW-BXUZGUMPSA-N 1 0 320.393 1.901 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000415678978 420144287 /nfs/dbraw/zinc/14/42/87/420144287.db2.gz ORQNDIXUCYVVCW-JQWIXIFHSA-N 1 0 320.349 1.098 20 5 DDBDRO CCOC(=O)c1ccnc(N[C@H]2CCC[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000420234298 420159876 /nfs/dbraw/zinc/15/98/76/420159876.db2.gz HKUPPYQEDUDYCQ-UWVGGRQHSA-N 1 0 308.338 1.848 20 5 DDBDRO O=C(CCN1C[C@H]2CCC[C@@H](C1)[NH2+]2)Nc1ccc([N+](=O)[O-])cc1 ZINC000420346287 420224706 /nfs/dbraw/zinc/22/47/06/420224706.db2.gz CQFARUXPSWRLQJ-OKILXGFUSA-N 1 0 318.377 1.750 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000430969209 420228524 /nfs/dbraw/zinc/22/85/24/420228524.db2.gz YVGXIRYZTCTHOJ-TXEJJXNPSA-N 1 0 306.366 1.524 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000420370823 420242914 /nfs/dbraw/zinc/24/29/14/420242914.db2.gz CXARTFMMCYLMSP-AAEUAGOBSA-N 1 0 320.393 1.758 20 5 DDBDRO O=C(COc1cccc([N+](=O)[O-])c1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000435228650 420264067 /nfs/dbraw/zinc/26/40/67/420264067.db2.gz BRFNVLNTKXOLDI-CYBMUJFWSA-N 1 0 305.334 1.327 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@H](C)CC[NH3+])c1 ZINC000420420841 420275552 /nfs/dbraw/zinc/27/55/52/420275552.db2.gz KIKUYKPMWPRORA-SECBINFHSA-N 1 0 301.368 1.227 20 5 DDBDRO NC(=O)c1cccc([N+](=O)[O-])c1N1CC[NH+](C2CCC2)CC1 ZINC000420593844 420325570 /nfs/dbraw/zinc/32/55/70/420325570.db2.gz CJSBBBMNTQTOIK-UHFFFAOYSA-N 1 0 304.350 1.368 20 5 DDBDRO C[NH+](C)CC(C)(C)NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000416506107 420399944 /nfs/dbraw/zinc/39/99/44/420399944.db2.gz FDQADTJIDYQIBN-UHFFFAOYSA-N 1 0 315.395 1.354 20 5 DDBDRO O=[N+]([O-])c1cnc(N2CCC(OCC[NH+]3CCCC3)CC2)nc1 ZINC000302169072 230138523 /nfs/dbraw/zinc/13/85/23/230138523.db2.gz SZPCFDQZODCZRI-UHFFFAOYSA-N 1 0 321.381 1.466 20 5 DDBDRO C[NH+](C)C1(CNC(=O)CCOc2ccccc2[N+](=O)[O-])CCC1 ZINC000438511529 420457069 /nfs/dbraw/zinc/45/70/69/420457069.db2.gz CXZSJPKPOZEJGQ-UHFFFAOYSA-N 1 0 321.377 1.964 20 5 DDBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N[C@H]1CCC[NH2+]C1 ZINC000417724393 420461627 /nfs/dbraw/zinc/46/16/27/420461627.db2.gz YNXORSSSCQKOBH-AWEZNQCLSA-N 1 0 320.393 1.969 20 5 DDBDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000457093337 420609389 /nfs/dbraw/zinc/60/93/89/420609389.db2.gz NYPGJWSLKWAJLB-LLVKDONJSA-N 1 0 308.338 1.250 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)n1 ZINC000450865647 420548145 /nfs/dbraw/zinc/54/81/45/420548145.db2.gz SJMYVXLANPDAQL-BNOWGMLFSA-N 1 0 306.366 1.729 20 5 DDBDRO CCOc1cc(N2CC[NH+](CC[C@@H](C)O)CC2)ccc1[N+](=O)[O-] ZINC000450895466 420553088 /nfs/dbraw/zinc/55/30/88/420553088.db2.gz XUYZATGGLJJEOG-CYBMUJFWSA-N 1 0 323.393 1.886 20 5 DDBDRO C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])s1)[C@H]1CCC[NH2+]C1 ZINC000440359561 420569618 /nfs/dbraw/zinc/56/96/18/420569618.db2.gz PMEFFEJJDGDBOQ-IUCAKERBSA-N 1 0 319.408 1.323 20 5 DDBDRO Cc1cc(S(=O)(=O)N2CC[C@H]([NH3+])[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000440441131 420576527 /nfs/dbraw/zinc/57/65/27/420576527.db2.gz NJOZHUYGCVZUDQ-PWSUYJOCSA-N 1 0 313.379 1.261 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)c1C ZINC000447256535 420768417 /nfs/dbraw/zinc/76/84/17/420768417.db2.gz NURDHIJMOLGABD-KOLCDFICSA-N 1 0 313.379 1.179 20 5 DDBDRO C[C@H]1C[C@H](C[NH3+])CN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000442767550 420711766 /nfs/dbraw/zinc/71/17/66/420711766.db2.gz RDEUJZQRJZFPCM-NWDGAFQWSA-N 1 0 306.366 1.227 20 5 DDBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](O)Cn1ccnn1 ZINC000459689385 420846420 /nfs/dbraw/zinc/84/64/20/420846420.db2.gz DKLAERNJGSAXKL-JSGCOSHPSA-N 1 0 319.365 1.158 20 5 DDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CN(C2CC2)CCO1 ZINC000449127038 420955081 /nfs/dbraw/zinc/95/50/81/420955081.db2.gz VOMQHAACEMMLCN-BBRMVZONSA-N 1 0 319.405 1.979 20 5 DDBDRO [NH3+]CC[C@H](NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)C(F)F ZINC000449612553 421038464 /nfs/dbraw/zinc/03/84/64/421038464.db2.gz MXCUSGYKMXGTCJ-VIFPVBQESA-N 1 0 313.264 1.183 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3ccc([N+](=O)[O-])cc3Cl)C[C@@H]21 ZINC000456167595 421111968 /nfs/dbraw/zinc/11/19/68/421111968.db2.gz NFZCZLLVQOBGHK-RISCZKNCSA-N 1 0 323.780 1.953 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@@H](CO)[C@@H]1C ZINC000488767293 421114437 /nfs/dbraw/zinc/11/44/37/421114437.db2.gz VTVTVGZCRIXWSI-QWRGUYRKSA-N 1 0 323.349 1.245 20 5 DDBDRO COCC[N@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000490043248 421187402 /nfs/dbraw/zinc/18/74/02/421187402.db2.gz BFCPJTYOEJVIHJ-ZDUSSCGKSA-N 1 0 310.350 1.841 20 5 DDBDRO C[N@@H+]1CC[C@](O)(CNc2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000450442790 421198503 /nfs/dbraw/zinc/19/85/03/421198503.db2.gz YOSLQIFGEUMMFE-HNNXBMFYSA-N 1 0 302.334 1.622 20 5 DDBDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000525670436 421292967 /nfs/dbraw/zinc/29/29/67/421292967.db2.gz SRLYMIRLCGSBTC-CQSZACIVSA-N 1 0 305.378 1.984 20 5 DDBDRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC000547756409 421363392 /nfs/dbraw/zinc/36/33/92/421363392.db2.gz NXUNFNWRTOLOIB-JTQLQIEISA-N 1 0 309.370 1.558 20 5 DDBDRO Nc1nccc(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)c1[N+](=O)[O-] ZINC000514610809 421440602 /nfs/dbraw/zinc/44/06/02/421440602.db2.gz ACZKGXLGTSFFTK-JTQLQIEISA-N 1 0 319.365 1.319 20 5 DDBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[N@H+](C)C(C)(C)C1 ZINC000550657231 421520896 /nfs/dbraw/zinc/52/08/96/421520896.db2.gz NUPLIUBDDAHHOH-LBPRGKRZSA-N 1 0 320.393 1.948 20 5 DDBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N[C@H]1C[NH2+]CCC1(F)F ZINC000563562124 421521110 /nfs/dbraw/zinc/52/11/10/421521110.db2.gz OOGUMCXYUYTDNL-NSHDSACASA-N 1 0 314.292 1.391 20 5 DDBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cc([N+](=O)[O-])cn1C ZINC000552041290 421570729 /nfs/dbraw/zinc/57/07/29/421570729.db2.gz HHPRWCOVBJIQAV-RYUDHWBXSA-N 1 0 306.366 1.632 20 5 DDBDRO CNc1nccc(C(=O)NC(C)(C)C[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000566464206 421605933 /nfs/dbraw/zinc/60/59/33/421605933.db2.gz CRTUUTGJANZMBI-UHFFFAOYSA-N 1 0 321.381 1.636 20 5 DDBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1C[C@@](C)(O)C1 ZINC000417351004 533685121 /nfs/dbraw/zinc/68/51/21/533685121.db2.gz BNYPYUDZPXOYGR-HCKVZZMMSA-N 1 0 307.350 1.815 20 5 DDBDRO CC(C)[C@@H](CO)C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000570396564 421643907 /nfs/dbraw/zinc/64/39/07/421643907.db2.gz LRRQZCVGGGDPEL-CHWSQXEVSA-N 1 0 312.366 1.189 20 5 DDBDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000554868329 421663935 /nfs/dbraw/zinc/66/39/35/421663935.db2.gz FBHGZEISKJLLHI-LLVKDONJSA-N 1 0 309.370 1.702 20 5 DDBDRO COCCNC(=O)C1([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000581022063 421886133 /nfs/dbraw/zinc/88/61/33/421886133.db2.gz JWYONKGTBSCANI-CYBMUJFWSA-N 1 0 319.361 1.467 20 5 DDBDRO CC[NH+](CC)CCCNc1nccc(C(=O)OC)c1[N+](=O)[O-] ZINC000598584797 422398278 /nfs/dbraw/zinc/39/82/78/422398278.db2.gz VZUZOYDTEHFEGA-UHFFFAOYSA-N 1 0 310.354 1.920 20 5 DDBDRO CCOC[C@H](O)C[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000578351165 422553414 /nfs/dbraw/zinc/55/34/14/422553414.db2.gz JVFRIXKZVYJGGY-CYBMUJFWSA-N 1 0 307.350 1.606 20 5 DDBDRO C[N@@H+]1CC[C@H](C(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000578587014 422602289 /nfs/dbraw/zinc/60/22/89/422602289.db2.gz QWSQTLNOEYRZNS-NSHDSACASA-N 1 0 305.334 1.268 20 5 DDBDRO CC1(C[NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000579064417 422695298 /nfs/dbraw/zinc/69/52/98/422695298.db2.gz RMGCWFBYEAXQKA-UHFFFAOYSA-N 1 0 313.379 1.263 20 5 DDBDRO C[C@@H]1C[C@@H]([NH3+])CCN1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000578903699 422674035 /nfs/dbraw/zinc/67/40/35/422674035.db2.gz SRWYXPNYDZOJJZ-YPMHNXCESA-N 1 0 318.377 1.296 20 5 DDBDRO O=C(/C=C\c1cccc([N+](=O)[O-])c1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000320268977 271024673 /nfs/dbraw/zinc/02/46/73/271024673.db2.gz YDVHOENSQUWEDY-VSVUCHCSSA-N 1 0 301.346 1.676 20 5 DDBDRO CCCC[N@H+](C)CCNc1nc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000342162187 271324917 /nfs/dbraw/zinc/32/49/17/271324917.db2.gz NTYQWADGWSLFJQ-UHFFFAOYSA-N 1 0 310.354 1.920 20 5 DDBDRO COC(=O)COc1ccc(C[NH2+][C@H](C)CF)cc1[N+](=O)[O-] ZINC000342209765 271340936 /nfs/dbraw/zinc/34/09/36/271340936.db2.gz WRDWKALECQMZHE-SECBINFHSA-N 1 0 300.286 1.594 20 5 DDBDRO C[C@@H](Cn1cccn1)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000342361267 271389988 /nfs/dbraw/zinc/38/99/88/271389988.db2.gz SLDXVQHPEXUSQZ-QWHCGFSZSA-N 1 0 320.349 1.209 20 5 DDBDRO C[C@@H](O)C[NH+]1CCN(c2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000286601110 274272991 /nfs/dbraw/zinc/27/29/91/274272991.db2.gz IIWRXJOQOLPZHQ-SECBINFHSA-N 1 0 323.378 1.102 20 5 DDBDRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000262878592 274377208 /nfs/dbraw/zinc/37/72/08/274377208.db2.gz VRYIFOJOOFWTRW-KCJUWKMLSA-N 1 0 303.322 1.199 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1C[C@H]([NH3+])Cc2ccccc21 ZINC000424071154 274845811 /nfs/dbraw/zinc/84/58/11/274845811.db2.gz DRSBBFDVELPVEG-GFCCVEGCSA-N 1 0 315.333 1.016 20 5 DDBDRO O=C1CC[C@@H]([NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)CCN1 ZINC000450895390 275017680 /nfs/dbraw/zinc/01/76/80/275017680.db2.gz XNHPEFOFCFKFMX-CYBMUJFWSA-N 1 0 318.377 1.386 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC[N@@H+](CCO)CC2)c([N+](=O)[O-])c1 ZINC000171506810 275035998 /nfs/dbraw/zinc/03/59/98/275035998.db2.gz NCIXJWJKBJTSEY-UHFFFAOYSA-N 1 0 310.310 1.007 20 5 DDBDRO CC(C)(C)[C@H](C[NH3+])NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000423965307 275529881 /nfs/dbraw/zinc/52/98/81/275529881.db2.gz YBXFFVSLSAAKDU-ZDUSSCGKSA-N 1 0 308.382 1.886 20 5 DDBDRO CCCN(CCC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])c(NC)n1 ZINC000456023219 276253115 /nfs/dbraw/zinc/25/31/15/276253115.db2.gz KANRUXJLDYXOCZ-UHFFFAOYSA-N 1 0 323.397 1.835 20 5 DDBDRO CCOc1cc(C(=O)NC[C@H]2CCC[NH2+]2)c([N+](=O)[O-])cc1OC ZINC000178728369 276492444 /nfs/dbraw/zinc/49/24/44/276492444.db2.gz RGYIBFBMKBOKRX-SNVBAGLBSA-N 1 0 323.349 1.484 20 5 DDBDRO CN(C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)[C@H]1CC[NH2+]C1 ZINC000179090592 276748404 /nfs/dbraw/zinc/74/84/04/276748404.db2.gz DWYDIKQNUNNPFP-AWEZNQCLSA-N 1 0 315.333 1.214 20 5 DDBDRO C[NH+](C)[C@@H]1CCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC000331616753 276783055 /nfs/dbraw/zinc/78/30/55/276783055.db2.gz PTMRPQWCFVBETP-SNVBAGLBSA-N 1 0 302.334 1.852 20 5 DDBDRO C[C@@H](CO)[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000447685988 278290120 /nfs/dbraw/zinc/29/01/20/278290120.db2.gz OGRWHYLGZOVMER-NSHDSACASA-N 1 0 319.365 1.364 20 5 DDBDRO C[C@@]1(F)C[NH2+]CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000420266492 279168153 /nfs/dbraw/zinc/16/81/53/279168153.db2.gz QSTBSFVYJPTDMH-CQSZACIVSA-N 1 0 321.312 1.783 20 5 DDBDRO [NH3+]C[C@@H]1CCC[C@@H]1NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000130952017 281399934 /nfs/dbraw/zinc/39/99/34/281399934.db2.gz HQIAUMUAXIDYDT-AAEUAGOBSA-N 1 0 313.379 1.142 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](OC)C[C@H]1C[NH3+] ZINC000572833900 304558879 /nfs/dbraw/zinc/55/88/79/304558879.db2.gz QLQQEKIMSQQLPW-NWDGAFQWSA-N 1 0 323.349 1.182 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000162737425 298202089 /nfs/dbraw/zinc/20/20/89/298202089.db2.gz FWQJGMNMVNNYPT-NWDGAFQWSA-N 1 0 307.350 1.856 20 5 DDBDRO C[C@H]1CC[N@H+](C)CCN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000354005116 298336784 /nfs/dbraw/zinc/33/67/84/298336784.db2.gz FBRLTGKWFHQBBU-LBPRGKRZSA-N 1 0 307.350 1.526 20 5 DDBDRO Cn1c(C(=O)NCCCCC[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000357112596 298965427 /nfs/dbraw/zinc/96/54/27/298965427.db2.gz CUYJYNKLQGXGCA-UHFFFAOYSA-N 1 0 308.382 1.929 20 5 DDBDRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)Nc1ccc([N+](=O)[O-])cc1 ZINC000363094667 300209664 /nfs/dbraw/zinc/20/96/64/300209664.db2.gz GGYUPMQZFODIRT-ZIAGYGMSSA-N 1 0 320.349 1.580 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000363103383 300211537 /nfs/dbraw/zinc/21/15/37/300211537.db2.gz HVEBEGFFEYNWLO-ZIAGYGMSSA-N 1 0 319.361 1.496 20 5 DDBDRO O=C(Cc1ccccc1[N+](=O)[O-])N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000363324524 300251824 /nfs/dbraw/zinc/25/18/24/300251824.db2.gz PQZHIGBGNIIQGF-UONOGXRCSA-N 1 0 303.362 1.880 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCOCC3(CCCC3)C2)c1 ZINC000364322097 300376054 /nfs/dbraw/zinc/37/60/54/300376054.db2.gz DOKOMUQWSWULDN-AWEZNQCLSA-N 1 0 324.381 1.045 20 5 DDBDRO CC[N@H+](CC(=O)N1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1)C1CC1 ZINC000364325929 300376790 /nfs/dbraw/zinc/37/67/90/300376790.db2.gz SJTXKJWATKGJJN-CYBMUJFWSA-N 1 0 321.381 1.439 20 5 DDBDRO C[C@H]1C[C@H](C)CN(c2ccc(C(=O)NCC[NH3+])cc2[N+](=O)[O-])C1 ZINC000237557764 300484611 /nfs/dbraw/zinc/48/46/11/300484611.db2.gz QOOOEVAZLQJDJN-RYUDHWBXSA-N 1 0 320.393 1.766 20 5 DDBDRO CC[NH+](CC)CC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365914524 300607276 /nfs/dbraw/zinc/60/72/76/300607276.db2.gz BTFUQFSGBNMVCG-UHFFFAOYSA-N 1 0 309.370 1.297 20 5 DDBDRO COc1ccc(C[NH2+][C@@H]2CCC(=O)N[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC000367062030 300794899 /nfs/dbraw/zinc/79/48/99/300794899.db2.gz JESCTCWKCPULCO-MLGOLLRUSA-N 1 0 319.361 1.750 20 5 DDBDRO O=C1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)[C@@H](C2CC2)N1 ZINC000368501063 301042116 /nfs/dbraw/zinc/04/21/16/301042116.db2.gz ZPULKHCNVIASRR-SWLSCSKDSA-N 1 0 307.325 1.881 20 5 DDBDRO CC1(C)C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]2CCC[C@H]2O1 ZINC000368521639 301047831 /nfs/dbraw/zinc/04/78/31/301047831.db2.gz HJUXUHPKLRDUOJ-MGPQQGTHSA-N 1 0 324.381 1.184 20 5 DDBDRO COc1ccc(CN2CCC[N@@H+]([C@H](C)CO)CC2)cc1[N+](=O)[O-] ZINC000368953015 301109647 /nfs/dbraw/zinc/10/96/47/301109647.db2.gz ZGYQZQFTUINXQY-CYBMUJFWSA-N 1 0 323.393 1.492 20 5 DDBDRO NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000368952731 301109653 /nfs/dbraw/zinc/10/96/53/301109653.db2.gz XEMHFXPZGJHAJE-CQDKDKBSSA-N 1 0 319.361 1.559 20 5 DDBDRO C[N@@H+]1CCC[C@H]1CC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000369685061 301212776 /nfs/dbraw/zinc/21/27/76/301212776.db2.gz ZJRIUZJZJFHHPP-ZDUSSCGKSA-N 1 0 307.398 1.913 20 5 DDBDRO CCCc1n[nH]c(C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)c1[N+](=O)[O-] ZINC000370166707 301287269 /nfs/dbraw/zinc/28/72/69/301287269.db2.gz ZQLKEXBMJOHHLD-GXSJLCMTSA-N 1 0 307.354 1.094 20 5 DDBDRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000355341118 306796150 /nfs/dbraw/zinc/79/61/50/306796150.db2.gz OQQITCHXZGDIMO-HNNXBMFYSA-N 1 0 321.377 1.778 20 5 DDBDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1Cc1c([N+](=O)[O-])ncn1C ZINC000376032860 302028020 /nfs/dbraw/zinc/02/80/20/302028020.db2.gz AKOLYITZDHWXEC-GFCCVEGCSA-N 1 0 323.397 1.013 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC(OCCC[NH3+])CC1 ZINC000322306593 302037251 /nfs/dbraw/zinc/03/72/51/302037251.db2.gz XHKXQAKOARRILD-UHFFFAOYSA-N 1 0 321.377 1.873 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000227064994 302045127 /nfs/dbraw/zinc/04/51/27/302045127.db2.gz ALWACQNCIQOHCD-WDEREUQCSA-N 1 0 313.379 1.261 20 5 DDBDRO C[C@H]([NH3+])[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000447244196 302395774 /nfs/dbraw/zinc/39/57/74/302395774.db2.gz CKURTMLFCAVFRD-YUMQZZPRSA-N 1 0 305.381 1.014 20 5 DDBDRO Cc1ccc(S(=O)(=O)N[C@@H]2CC[NH2+][C@H](C)C2)c([N+](=O)[O-])c1 ZINC000447243748 302395779 /nfs/dbraw/zinc/39/57/79/302395779.db2.gz JMRQFEVMJCEYJT-GHMZBOCLSA-N 1 0 313.379 1.322 20 5 DDBDRO C[C@H](C[NH3+])CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000514728041 302742148 /nfs/dbraw/zinc/74/21/48/302742148.db2.gz HHCRSPQBLYKWHG-GFCCVEGCSA-N 1 0 320.393 1.522 20 5 DDBDRO COc1cc(C[NH2+]CCN2CCCC2=O)c([N+](=O)[O-])cc1OC ZINC000519165866 302835248 /nfs/dbraw/zinc/83/52/48/302835248.db2.gz GTMSQIVJCWSSHK-UHFFFAOYSA-N 1 0 323.349 1.324 20 5 DDBDRO C[NH+](C)C1(CNC(=O)c2ccc([N+](=O)[O-])cn2)CCCCC1 ZINC000531881513 303263223 /nfs/dbraw/zinc/26/32/23/303263223.db2.gz IGQYPRISTJRWTH-UHFFFAOYSA-N 1 0 306.366 1.984 20 5 DDBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532144139 303277306 /nfs/dbraw/zinc/27/73/06/303277306.db2.gz VLECMQNOCKQMFL-GFCCVEGCSA-N 1 0 310.354 1.076 20 5 DDBDRO C[NH+](C)CCN(C(=O)c1ccc([N+](=O)[O-])cn1)C1CCCC1 ZINC000532398526 303285061 /nfs/dbraw/zinc/28/50/61/303285061.db2.gz GWLCANVYCIKDIT-UHFFFAOYSA-N 1 0 306.366 1.936 20 5 DDBDRO [NH3+]C[C@@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000192027893 303394015 /nfs/dbraw/zinc/39/40/15/303394015.db2.gz JPSUJEIWACZTJA-LLVKDONJSA-N 1 0 313.379 1.391 20 5 DDBDRO CC(C)n1cc([C@H](C)[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cn1 ZINC000544469405 303472587 /nfs/dbraw/zinc/47/25/87/303472587.db2.gz RTQZRYZBVFWPGC-FZMZJTMJSA-N 1 0 322.369 1.280 20 5 DDBDRO CNc1ccc(C(=O)N2CC[C@H](OC)C[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000563159832 303927312 /nfs/dbraw/zinc/92/73/12/303927312.db2.gz UBQSUTFCWAVGLY-NEPJUHHUSA-N 1 0 322.365 1.215 20 5 DDBDRO [NH3+][C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)C[C@H]1c1ccc(F)cc1 ZINC000364164729 307042517 /nfs/dbraw/zinc/04/25/17/307042517.db2.gz BSTTUAHIMLLDOI-NWDGAFQWSA-N 1 0 319.292 1.894 20 5 DDBDRO [NH3+][C@@H]1CCC[C@]12CCN(C(=O)COc1ccccc1[N+](=O)[O-])C2 ZINC000364182024 307043038 /nfs/dbraw/zinc/04/30/38/307043038.db2.gz DECOGRSFLYXSJR-GDBMZVCRSA-N 1 0 319.361 1.704 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000372893834 307175729 /nfs/dbraw/zinc/17/57/29/307175729.db2.gz WIQAPXKLZHSXNV-GXFFZTMASA-N 1 0 323.324 1.323 20 5 DDBDRO C[C@@H]1C[C@@]2(CCO1)C[N@@H+](CCn1ccc([N+](=O)[O-])n1)C[C@H](C)O2 ZINC000374013396 307199381 /nfs/dbraw/zinc/19/93/81/307199381.db2.gz HRJSDBHLFONXHR-IPYPFGDCSA-N 1 0 324.381 1.450 20 5 DDBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000376262276 307241813 /nfs/dbraw/zinc/24/18/13/307241813.db2.gz NYAURZKPGWFYEY-NWDGAFQWSA-N 1 0 316.365 1.701 20 5 DDBDRO C[N@@H+]1CC[C@H]2CCN(c3ccc4ncc([N+](=O)[O-])n4n3)[C@@H]2C1 ZINC000378507650 307290569 /nfs/dbraw/zinc/29/05/69/307290569.db2.gz WPDYHAQXBHKEEU-WDEREUQCSA-N 1 0 302.338 1.168 20 5 DDBDRO O=C(c1c[nH]nc1[N+](=O)[O-])N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000548419908 307768011 /nfs/dbraw/zinc/76/80/11/307768011.db2.gz IWVZJBDEJNRILK-NSHDSACASA-N 1 0 307.354 1.266 20 5 DDBDRO COc1ccc(CC(=O)N2[C@H](C)C[NH+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000559320870 307901490 /nfs/dbraw/zinc/90/14/90/307901490.db2.gz PEQZPSRRGIIQBX-VXGBXAGGSA-N 1 0 321.377 1.697 20 5 DDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@H]2CC[C@H](F)C2)cc1 ZINC000566131430 308045707 /nfs/dbraw/zinc/04/57/07/308045707.db2.gz ZBFXMEYRPUUXND-QWRGUYRKSA-N 1 0 316.354 1.849 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1C[C@H]2OCCC[C@@H]12 ZINC000566132639 308046013 /nfs/dbraw/zinc/04/60/13/308046013.db2.gz VSHYWFGZVGAGHK-OQMKEHIESA-N 1 0 322.361 1.492 20 5 DDBDRO O=C(C[C@H]1CCC[NH2+]1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000569102762 308133198 /nfs/dbraw/zinc/13/31/98/308133198.db2.gz OXIANWHMQUGZHT-LLVKDONJSA-N 1 0 307.354 1.097 20 5 DDBDRO Cc1cc(OCC(=O)N2CC[N@@H+](C)C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000571819529 308203006 /nfs/dbraw/zinc/20/30/06/308203006.db2.gz CIRSDCTXCJENQD-UHFFFAOYSA-N 1 0 321.377 1.835 20 5 DDBDRO O=C(CC[NH2+]C[C@@H](CO)C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000576703677 308333717 /nfs/dbraw/zinc/33/37/17/308333717.db2.gz MFZXOJGBTYSRLS-LBPRGKRZSA-N 1 0 307.350 1.532 20 5 DDBDRO CCc1ccc(S(=O)(=O)N[C@H](C)[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000576755140 308337275 /nfs/dbraw/zinc/33/72/75/308337275.db2.gz QWFJSIGEYPGQSO-DTWKUNHWSA-N 1 0 301.368 1.171 20 5 DDBDRO C[N@@H+]1CC[C@H](C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000577101048 308362949 /nfs/dbraw/zinc/36/29/49/308362949.db2.gz UVGUXUJVGCOSMU-LBPRGKRZSA-N 1 0 316.361 1.687 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000578995495 308499872 /nfs/dbraw/zinc/49/98/72/308499872.db2.gz LCWRRHVNKHTLPA-LLVKDONJSA-N 1 0 321.381 1.090 20 5 DDBDRO CC1(C)[C@H](O)C[C@H]1[NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000579975481 308571399 /nfs/dbraw/zinc/57/13/99/308571399.db2.gz UIMBLYCKSOVTDS-BFHYXJOUSA-N 1 0 319.361 1.449 20 5 DDBDRO CN(CC1CC1)C(=O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000582277028 326002077 /nfs/dbraw/zinc/00/20/77/326002077.db2.gz XYTHPIUYZUYDHZ-UHFFFAOYSA-N 1 0 321.381 1.297 20 5 DDBDRO CC1(C)[C@H](O)C[C@@H]1[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000584002017 331558795 /nfs/dbraw/zinc/55/87/95/331558795.db2.gz IVIMEYYKTNBHAW-UONOGXRCSA-N 1 0 319.361 1.233 20 5 DDBDRO C[N@H+]1CC=C(CNc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CC1 ZINC000392885989 337079217 /nfs/dbraw/zinc/07/92/17/337079217.db2.gz KPOZSUOFVATBST-UHFFFAOYSA-N 1 0 315.333 1.917 20 5 DDBDRO Cc1cc(S(=O)(=O)N[C@@H](C[NH3+])C2CC2)c(C)cc1[N+](=O)[O-] ZINC000582498536 337102628 /nfs/dbraw/zinc/10/26/28/337102628.db2.gz PNPFBNBHKCEMCP-NSHDSACASA-N 1 0 313.379 1.227 20 5 DDBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000584579703 337367775 /nfs/dbraw/zinc/36/77/75/337367775.db2.gz DNVOAZJBGAQQEH-JSGCOSHPSA-N 1 0 304.350 1.488 20 5 DDBDRO Cc1c(CN2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000424295074 533845650 /nfs/dbraw/zinc/84/56/50/533845650.db2.gz PQPJQKMUUWWAQC-LSDHHAIUSA-N 1 0 315.377 1.563 20 5 DDBDRO COC(=O)c1cc(NC(=O)[C@H](C(C)C)[C@@H](C)[NH3+])cc([N+](=O)[O-])c1 ZINC000422999035 533882009 /nfs/dbraw/zinc/88/20/09/533882009.db2.gz DNCPWVSBFSOHSK-NOZJJQNGSA-N 1 0 323.349 1.939 20 5 DDBDRO COc1cc(C[NH2+][C@H]2CCC[C@H](CO)C2)c([N+](=O)[O-])cc1O ZINC000414572657 533905534 /nfs/dbraw/zinc/90/55/34/533905534.db2.gz LODZMVCTYDMASO-JQWIXIFHSA-N 1 0 310.350 1.950 20 5 DDBDRO C[C@H]1[NH2+]CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000420308579 534121834 /nfs/dbraw/zinc/12/18/34/534121834.db2.gz KOPUZIOJRBVIPJ-VXGBXAGGSA-N 1 0 306.366 1.606 20 5 DDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCS(C)(=O)=O ZINC000449131609 534253997 /nfs/dbraw/zinc/25/39/97/534253997.db2.gz OEVFHRYBGVOAFQ-NSHDSACASA-N 1 0 300.380 1.550 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000415441740 534320078 /nfs/dbraw/zinc/32/00/78/534320078.db2.gz ASFGGJXRUJVRQC-LLVKDONJSA-N 1 0 320.349 1.004 20 5 DDBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)NCC[C@H]1CCC[NH2+]C1 ZINC000417224753 534461831 /nfs/dbraw/zinc/46/18/31/534461831.db2.gz IEUKWNPUCFANNU-CQSZACIVSA-N 1 0 320.393 1.826 20 5 DDBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)NCC[C@@H]1CCC[NH2+]C1 ZINC000417224750 534462954 /nfs/dbraw/zinc/46/29/54/534462954.db2.gz IEUKWNPUCFANNU-AWEZNQCLSA-N 1 0 320.393 1.826 20 5 DDBDRO [NH3+]CC[C@@H](NC(=O)NCCc1ccc([N+](=O)[O-])cc1)C(F)F ZINC000417238379 534641490 /nfs/dbraw/zinc/64/14/90/534641490.db2.gz YKDYFUKAYXMOQF-LLVKDONJSA-N 1 0 316.308 1.419 20 5 DDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000422836715 534673882 /nfs/dbraw/zinc/67/38/82/534673882.db2.gz RVLOMRNSYAKIQJ-GFCCVEGCSA-N 1 0 306.366 1.814 20 5 DDBDRO CC(C)(CC[NH3+])NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000422555642 527030431 /nfs/dbraw/zinc/03/04/31/527030431.db2.gz QPSZHPLANCMLGN-UHFFFAOYSA-N 1 0 321.786 1.654 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000157291069 527312348 /nfs/dbraw/zinc/31/23/48/527312348.db2.gz RWEKLBAYMSAYKS-WFASDCNBSA-N 1 0 318.377 1.855 20 5 DDBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C[C@H]1C ZINC000445132745 527929889 /nfs/dbraw/zinc/92/98/89/527929889.db2.gz GYHZMFCAICFXRB-NXEZZACHSA-N 1 0 308.338 1.250 20 5 DDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@@H](C)[NH3+])cc1OC ZINC000449589599 528335350 /nfs/dbraw/zinc/33/53/50/528335350.db2.gz JZYWARKBRSTYMB-RKDXNWHRSA-N 1 0 311.338 1.468 20 5 DDBDRO CCCc1n[nH]c(C(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000449649993 528546569 /nfs/dbraw/zinc/54/65/69/528546569.db2.gz SVOBCYAZAWZXPY-ZJUUUORDSA-N 1 0 309.370 1.518 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000423645244 528692272 /nfs/dbraw/zinc/69/22/72/528692272.db2.gz QGSWJOGFZWBMPU-NEPJUHHUSA-N 1 0 319.361 1.675 20 5 DDBDRO CC1(C)C[NH2+]CC[C@@H]1NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000449696137 529130015 /nfs/dbraw/zinc/13/00/15/529130015.db2.gz JSSOYJMYNWXGNN-ZDUSSCGKSA-N 1 0 307.350 1.478 20 5 DDBDRO CC[C@@H](C)[NH+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000296778240 529354243 /nfs/dbraw/zinc/35/42/43/529354243.db2.gz CTZQQCPZTXLCSA-LLVKDONJSA-N 1 0 306.366 1.733 20 5 DDBDRO C[C@@H](CNc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000736024924 598522906 /nfs/dbraw/zinc/52/29/06/598522906.db2.gz CIPURFGQGBRUNO-VIFPVBQESA-N 1 0 317.353 1.670 20 5 DDBDRO Cc1nn(CN2CC[NH+](C3CC3)CC2)c2cc([N+](=O)[O-])ccc12 ZINC000121147461 696706356 /nfs/dbraw/zinc/70/63/56/696706356.db2.gz PNHAAZWCUZVBHY-UHFFFAOYSA-N 1 0 315.377 1.990 20 5 DDBDRO Cc1cc(Cl)c(S(=O)(=O)N[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000123206145 696729666 /nfs/dbraw/zinc/72/96/66/696729666.db2.gz OUAFHPLPHKPYKL-MRVPVSSYSA-N 1 0 319.770 1.197 20 5 DDBDRO C[NH+](C)CCNC(=S)NCCNc1ccccc1[N+](=O)[O-] ZINC000018162186 696067157 /nfs/dbraw/zinc/06/71/57/696067157.db2.gz FGSVNQWBGPMZTK-UHFFFAOYSA-N 1 0 311.411 1.032 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CCn3cccn3)CC2)cc1 ZINC000049982695 696227311 /nfs/dbraw/zinc/22/73/11/696227311.db2.gz XMSHMBYSYROZBL-UHFFFAOYSA-N 1 0 301.350 1.614 20 5 DDBDRO C[NH2+]C[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)C1 ZINC000071144803 696391540 /nfs/dbraw/zinc/39/15/40/696391540.db2.gz ZWFXLZCHXHKAMM-NSHDSACASA-N 1 0 313.379 1.133 20 5 DDBDRO Cc1c(C(=O)NCC[NH2+]C(C)(C)C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000174239434 697386312 /nfs/dbraw/zinc/38/63/12/697386312.db2.gz KLTJGGDFLOBAFD-UHFFFAOYSA-N 1 0 324.337 1.929 20 5 DDBDRO C[C@@H]1OCC[C@]1(O)C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000227145462 697768736 /nfs/dbraw/zinc/76/87/36/697768736.db2.gz HRPFRCOQOSCAJW-ZANVPECISA-N 1 0 300.742 1.878 20 5 DDBDRO CC(=O)NCC1CC[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776278804 698091264 /nfs/dbraw/zinc/09/12/64/698091264.db2.gz VYJIFRCRSKOKCU-INIZCTEOSA-N 1 0 321.377 1.476 20 5 DDBDRO COC(=O)[C@H]1CC12CCN(Cn1cc([N+](=O)[O-])c(C)n1)CC2 ZINC000779860590 698476512 /nfs/dbraw/zinc/47/65/12/698476512.db2.gz CRFKXPHKRVNZRO-LLVKDONJSA-N 1 0 308.338 1.332 20 5 DDBDRO Cc1ccc(C[NH+]2CCC3(CNC(=O)O3)CC2)cc1[N+](=O)[O-] ZINC000783722133 698871013 /nfs/dbraw/zinc/87/10/13/698871013.db2.gz VVYDHNNOGLORMM-UHFFFAOYSA-N 1 0 305.334 1.978 20 5 DDBDRO O=c1c([N+](=O)[O-])cn(CCC[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000786055798 699121119 /nfs/dbraw/zinc/12/11/19/699121119.db2.gz JPXBIKYNUQMYEQ-UHFFFAOYSA-N 1 0 310.310 1.541 20 5 DDBDRO CCOc1ccc(C(=O)N2CC[C@]3(CCC[NH2+]3)C2)cc1[N+](=O)[O-] ZINC000424022833 699147353 /nfs/dbraw/zinc/14/73/53/699147353.db2.gz DVOVAAFDJAMAOF-MRXNPFEDSA-N 1 0 319.361 1.962 20 5 DDBDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2cc([N+](=O)[O-])ccc2N)C[C@@H]1C ZINC000787187633 699194928 /nfs/dbraw/zinc/19/49/28/699194928.db2.gz TUFJOXFXHPPYAT-QWRGUYRKSA-N 1 0 306.366 1.732 20 5 DDBDRO COc1ccc(C[N@@H+]2CC[C@H](C3OCCO3)C2)cc1[N+](=O)[O-] ZINC000719003849 699297456 /nfs/dbraw/zinc/29/74/56/699297456.db2.gz ZFUJIOJXNFAUNP-LBPRGKRZSA-N 1 0 308.334 1.798 20 5 DDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)cc1 ZINC000725373219 699331275 /nfs/dbraw/zinc/33/12/75/699331275.db2.gz CZPZIHPFRGEJST-STQMWFEESA-N 1 0 311.363 1.110 20 5 DDBDRO O=[N+]([O-])c1cccc(CN2CC[NH+](CCCCCO)CC2)c1 ZINC000727025934 699395273 /nfs/dbraw/zinc/39/52/73/699395273.db2.gz OTNHDIUJEULGIL-UHFFFAOYSA-N 1 0 307.394 1.875 20 5 DDBDRO CC(C)[C@@H](C[NH+](C)C)NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000733167338 699581912 /nfs/dbraw/zinc/58/19/12/699581912.db2.gz VYUHPNFAYVPREV-CQSZACIVSA-N 1 0 309.366 1.676 20 5 DDBDRO O=C(OCCn1ccc([N+](=O)[O-])n1)c1ccc2c[nH+]cn2c1 ZINC000792550863 699703028 /nfs/dbraw/zinc/70/30/28/699703028.db2.gz KPWWYJYWFSFTAH-UHFFFAOYSA-N 1 0 301.262 1.296 20 5 DDBDRO C[N@@H+]1CC[C@]2(CCN(Cn3ncc4ccc([N+](=O)[O-])cc43)C2)C1 ZINC000793745382 699776242 /nfs/dbraw/zinc/77/62/42/699776242.db2.gz ODFUBEHFDMJXGN-INIZCTEOSA-N 1 0 315.377 1.930 20 5 DDBDRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(Cn2nccc2[N+](=O)[O-])C1 ZINC000743376181 699909935 /nfs/dbraw/zinc/90/99/35/699909935.db2.gz JURUDDJACITOQS-OAHLLOKOSA-N 1 0 315.377 1.955 20 5 DDBDRO C[C@@H]1CC[N@H+](CCNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000744798670 699961303 /nfs/dbraw/zinc/96/13/03/699961303.db2.gz MRSVODITQNWBTA-SNVBAGLBSA-N 1 0 322.321 1.575 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@@H](C(F)(F)F)C2)c1 ZINC000761056542 700837189 /nfs/dbraw/zinc/83/71/89/700837189.db2.gz YADKAXYKHMQBIA-PSASIEDQSA-N 1 0 308.260 1.036 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H](CCO)C2CCOCC2)c1 ZINC000763903471 700952570 /nfs/dbraw/zinc/95/25/70/700952570.db2.gz SCZYJXLMYWLZHH-JKSUJKDBSA-N 1 0 324.377 1.395 20 5 DDBDRO C[C@@H](Cc1cnn(C)c1)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000768404132 701174841 /nfs/dbraw/zinc/17/48/41/701174841.db2.gz VPKVRQVTBPYCQP-NHYWBVRUSA-N 1 0 304.350 1.583 20 5 DDBDRO C[NH+](C)C[C@@H]1CCCN1S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768857337 701211007 /nfs/dbraw/zinc/21/10/07/701211007.db2.gz JJVQWAUWYGAMIA-VIFPVBQESA-N 1 0 319.408 1.371 20 5 DDBDRO COC(=O)[C@@]1(C)C[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000879133813 706595946 /nfs/dbraw/zinc/59/59/46/706595946.db2.gz JGSYVNZEKIQZKM-PEYYIBSZSA-N 1 0 322.361 1.759 20 5 DDBDRO Cc1ccc([C@@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[NH+]2CCCC2)cc1 ZINC000839605674 701751695 /nfs/dbraw/zinc/75/16/95/701751695.db2.gz YTLBMLLLEOTEMF-BZUAXINKSA-N 1 0 317.389 1.913 20 5 DDBDRO C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000839700197 701789662 /nfs/dbraw/zinc/78/96/62/701789662.db2.gz CUEOTLHVBXFTEC-SPWCGHHHSA-N 1 0 303.362 1.431 20 5 DDBDRO C[C@@H](NC(=O)COc1ccccc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000868000689 701884571 /nfs/dbraw/zinc/88/45/71/701884571.db2.gz WKRRTOXPPMOISN-LLVKDONJSA-N 1 0 307.350 1.478 20 5 DDBDRO C[C@@H](NC(=O)COc1cccc([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000868003450 701886371 /nfs/dbraw/zinc/88/63/71/701886371.db2.gz FUUFIXUNFZGYLZ-LLVKDONJSA-N 1 0 307.350 1.478 20 5 DDBDRO CO[C@@H]1CCN(Cn2c3cc([N+](=O)[O-])ccc3oc2=O)C[C@@H]1C ZINC000840121597 701980669 /nfs/dbraw/zinc/98/06/69/701980669.db2.gz AWGWMDUQEXIDBA-GXFFZTMASA-N 1 0 321.333 1.817 20 5 DDBDRO C[C@](CO)([NH2+]CCC(=O)N1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000879271649 706636117 /nfs/dbraw/zinc/63/61/17/706636117.db2.gz HROVDVPJGQBEOM-MRXNPFEDSA-N 1 0 321.377 1.404 20 5 DDBDRO C[NH+]1CCN(C2CCN(c3ncc([N+](=O)[O-])s3)CC2)CC1 ZINC000866212047 706650435 /nfs/dbraw/zinc/65/04/35/706650435.db2.gz BWZWKGVDRNCXTG-UHFFFAOYSA-N 1 0 311.411 1.268 20 5 DDBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H](O)c1cnn(C)c1 ZINC000866274271 706662670 /nfs/dbraw/zinc/66/26/70/706662670.db2.gz YXFUMPRYXVHJOC-BONVTDFDSA-N 1 0 322.340 1.722 20 5 DDBDRO COC[C@@]1(CN[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)CCC[NH2+]1 ZINC000817973980 702541038 /nfs/dbraw/zinc/54/10/38/702541038.db2.gz HWAJKCWEQSUUAB-NHYWBVRUSA-N 1 0 308.382 1.596 20 5 DDBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1CC[C@H](C(N)=O)C1 ZINC000866369999 706683255 /nfs/dbraw/zinc/68/32/55/706683255.db2.gz QWUVVIBUSBPCLE-SUZMYJTESA-N 1 0 309.341 1.909 20 5 DDBDRO C[C@@H]1CC2(CN1C(=O)c1cc([N+](=O)[O-])ccc1N)CC[NH2+]CC2 ZINC000818291961 702625081 /nfs/dbraw/zinc/62/50/81/702625081.db2.gz XMSITYHFSJOLTL-LLVKDONJSA-N 1 0 318.377 1.781 20 5 DDBDRO O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)NC[C@@H]1CCC[NH2+]C1 ZINC000818532381 702661484 /nfs/dbraw/zinc/66/14/84/702661484.db2.gz KSOBTNXGJAZGRF-LLVKDONJSA-N 1 0 317.349 1.060 20 5 DDBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N(C)CC[NH3+] ZINC000842485888 702728407 /nfs/dbraw/zinc/72/84/07/702728407.db2.gz PHWCIBSQFPQFKE-UHFFFAOYSA-N 1 0 307.759 1.136 20 5 DDBDRO Cc1cc(OS(=O)(=O)CC2([NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000866426713 706696284 /nfs/dbraw/zinc/69/62/84/706696284.db2.gz GBVPDSAMCULPFN-UHFFFAOYSA-N 1 0 314.363 1.706 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H]2CCCC(F)(F)[C@H]2O)c1 ZINC000843113904 702821567 /nfs/dbraw/zinc/82/15/67/702821567.db2.gz BDOFLOWOEBCMMN-AGIUHOORSA-N 1 0 316.304 1.767 20 5 DDBDRO O=[N+]([O-])c1ccc(Cc2noc(CCC3CC[NH2+]CC3)n2)nc1 ZINC000843191511 702838021 /nfs/dbraw/zinc/83/80/21/702838021.db2.gz HMIYSVPTTFJNBJ-UHFFFAOYSA-N 1 0 317.349 1.896 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1-c1noc(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)n1 ZINC000843222095 702845028 /nfs/dbraw/zinc/84/50/28/702845028.db2.gz DNEDDYINIAKVPU-PBINXNQUSA-N 1 0 318.337 1.451 20 5 DDBDRO CC(C)(CCc1noc(C[C@@H]2CSCC[NH2+]2)n1)[N+](=O)[O-] ZINC000843232765 702847009 /nfs/dbraw/zinc/84/70/09/702847009.db2.gz BULDXLUMLDSABB-SECBINFHSA-N 1 0 300.384 1.305 20 5 DDBDRO O=C(N(Cc1ccccc1[N+](=O)[O-])C1CC1)[C@]1(F)CC[NH2+]C1 ZINC000831425506 706703811 /nfs/dbraw/zinc/70/38/11/706703811.db2.gz CBLAQHBHDYMASF-HNNXBMFYSA-N 1 0 307.325 1.787 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CC[C@H]([C@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000843456222 702885946 /nfs/dbraw/zinc/88/59/46/702885946.db2.gz ZPFWLPPCOMWTJS-UWVGGRQHSA-N 1 0 322.321 1.621 20 5 DDBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)CO[C@@H]1CCC[NH2+]C1)CC2 ZINC000843495429 702893539 /nfs/dbraw/zinc/89/35/39/702893539.db2.gz RHAKVDIUDDNIFP-CYBMUJFWSA-N 1 0 319.361 1.561 20 5 DDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[NH2+]C12CCCC2 ZINC000843514691 702898122 /nfs/dbraw/zinc/89/81/22/702898122.db2.gz SXADXHJRQUFBRC-ZDUSSCGKSA-N 1 0 304.350 1.582 20 5 DDBDRO CCN1C[C@@H](C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1=O ZINC000846210590 703251256 /nfs/dbraw/zinc/25/12/56/703251256.db2.gz ZILPNMVLRJLBNA-WDEREUQCSA-N 1 0 306.366 1.696 20 5 DDBDRO C[C@@H]([NH2+]CC[C@]1(O)CCCOC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000846215266 703251924 /nfs/dbraw/zinc/25/19/24/703251924.db2.gz ZSGZMETWKWCRQV-IAQYHMDHSA-N 1 0 309.366 1.759 20 5 DDBDRO CN(CC[NH+]1CCCCC1)C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000846614489 703304020 /nfs/dbraw/zinc/30/40/20/703304020.db2.gz PNIQHIWBRBFBRH-UHFFFAOYSA-N 1 0 307.354 1.130 20 5 DDBDRO Cc1cc(C(=O)NCCC2CC[NH2+]CC2)c(N)c([N+](=O)[O-])c1 ZINC000846698985 703320182 /nfs/dbraw/zinc/32/01/82/703320182.db2.gz FJIGWIMQLFDDEV-UHFFFAOYSA-N 1 0 306.366 1.605 20 5 DDBDRO Cn1ccnc1[C@@H]1CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000846835477 703339361 /nfs/dbraw/zinc/33/93/61/703339361.db2.gz BNPNHWSHEGRTGA-UKRRQHHQSA-N 1 0 316.361 1.851 20 5 DDBDRO CNc1nccc(C(=O)N[C@@H](C[NH+](C)C)C(C)C)c1[N+](=O)[O-] ZINC000847489773 703426505 /nfs/dbraw/zinc/42/65/05/703426505.db2.gz SMOJBLHGHVNSRX-NSHDSACASA-N 1 0 309.370 1.348 20 5 DDBDRO COCCNC(=[NH2+])NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000849029462 703612885 /nfs/dbraw/zinc/61/28/85/703612885.db2.gz XVXSAXOXPCJYBD-UHFFFAOYSA-N 1 0 305.338 1.379 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCN2CCSCC2)c1 ZINC000819054593 704060521 /nfs/dbraw/zinc/06/05/21/704060521.db2.gz QGKYLDOOPZLDAR-AWEZNQCLSA-N 1 0 311.407 1.267 20 5 DDBDRO CC(C)OC(=O)[C@@H](C)C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819116720 704071835 /nfs/dbraw/zinc/07/18/35/704071835.db2.gz XYMXENNFQIHFLM-SMDDNHRTSA-N 1 0 310.350 1.806 20 5 DDBDRO CC(C)OC(=O)[C@@H](C)C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819116496 704071855 /nfs/dbraw/zinc/07/18/55/704071855.db2.gz SDABQQGFFGJMNM-FZMZJTMJSA-N 1 0 310.350 1.806 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@H]2CCc3nc[nH]c3C2)c1 ZINC000819323311 704107299 /nfs/dbraw/zinc/10/72/99/704107299.db2.gz ZIBAMQBWSVVNRL-NHYWBVRUSA-N 1 0 302.334 1.498 20 5 DDBDRO CCCN1C[C@@H](C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1=O ZINC000819375353 704115857 /nfs/dbraw/zinc/11/58/57/704115857.db2.gz PMVWIIWKTNSQAP-DOMZBBRYSA-N 1 0 321.377 1.476 20 5 DDBDRO C[C@@H](C[C@@H]1CCCC[N@@H+]1C)OC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000870786399 704132069 /nfs/dbraw/zinc/13/20/69/704132069.db2.gz WHMOJTVPMRIXPL-QWRGUYRKSA-N 1 0 310.354 1.748 20 5 DDBDRO C[C@@H](C[C@H]1CCCC[N@@H+]1C)OC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000870789516 704132564 /nfs/dbraw/zinc/13/25/64/704132564.db2.gz HFZLOLUEBLJUSD-QWHCGFSZSA-N 1 0 324.381 1.988 20 5 DDBDRO CCN1CCCC[C@@H]1C(=O)OC1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000870828431 704137880 /nfs/dbraw/zinc/13/78/80/704137880.db2.gz QRQPRUWLHZBPDX-UXUKBGGZSA-N 1 0 322.365 1.912 20 5 DDBDRO C[N@@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)CCC1(C)C ZINC000871155475 704233185 /nfs/dbraw/zinc/23/31/85/704233185.db2.gz RNVLVMSVMWIXIK-UHFFFAOYSA-N 1 0 306.366 1.733 20 5 DDBDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000855165882 704471772 /nfs/dbraw/zinc/47/17/72/704471772.db2.gz ZRWHDRQNQODKHJ-SECBINFHSA-N 1 0 307.354 1.175 20 5 DDBDRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000855284602 704477290 /nfs/dbraw/zinc/47/72/90/704477290.db2.gz WDBKTWSLNQZIFM-TZMCWYRMSA-N 1 0 321.377 1.617 20 5 DDBDRO CCC[N@H+](C)CC(C)(C)NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000856281498 704521416 /nfs/dbraw/zinc/52/14/16/704521416.db2.gz DUBHUKORXSFAHV-CQSZACIVSA-N 1 0 323.393 1.865 20 5 DDBDRO Cc1ccc(O[C@H]2CC[N@H+](CCn3ccc([N+](=O)[O-])n3)C2)nc1 ZINC000858035952 704660678 /nfs/dbraw/zinc/66/06/78/704660678.db2.gz MPTUIGCQDTTXOF-ZDUSSCGKSA-N 1 0 317.349 1.648 20 5 DDBDRO CCON(CC)C(=O)C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000858219450 704680228 /nfs/dbraw/zinc/68/02/28/704680228.db2.gz NAPCDCWIDJYYOI-VQHVLOKHSA-N 1 0 307.350 1.998 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCCN1CC[NH+](C)CC1 ZINC000873875709 704878935 /nfs/dbraw/zinc/87/89/35/704878935.db2.gz HRJIQLSEAKEFSZ-UHFFFAOYSA-N 1 0 320.393 1.189 20 5 DDBDRO CC[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CCCOC1 ZINC000880468411 706983620 /nfs/dbraw/zinc/98/36/20/706983620.db2.gz CZJRPFFBUYWIKS-OCCSQVGLSA-N 1 0 309.366 1.551 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)C[C@@H]21 ZINC000834315306 707028564 /nfs/dbraw/zinc/02/85/64/707028564.db2.gz YQPGRBNZXNVGTP-RNCFNFMXSA-N 1 0 320.305 1.279 20 5 DDBDRO Cc1nc([N+](=O)[O-])c(-c2noc([C@H]3C[C@@]34CC[NH2+]C4)n2)n1C ZINC000823094652 705138037 /nfs/dbraw/zinc/13/80/37/705138037.db2.gz SIJUTGBHZNHXKZ-AMIZOPFISA-N 1 0 304.310 1.154 20 5 DDBDRO CC(C)[C@H]1C[N@H+](C)CCN1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000823179372 705163386 /nfs/dbraw/zinc/16/33/86/705163386.db2.gz MMGGOYZBLMYHMD-CVEARBPZSA-N 1 0 307.394 1.900 20 5 DDBDRO COc1c(C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3C)cccc1[N+](=O)[O-] ZINC000874830374 705189335 /nfs/dbraw/zinc/18/93/35/705189335.db2.gz RGOXYZHZWPMWFB-CHWSQXEVSA-N 1 0 319.361 1.912 20 5 DDBDRO O=[N+]([O-])c1ccc(/C=C/c2nc(N3CC[NH2+]CC3)no2)cc1 ZINC000823353822 705218103 /nfs/dbraw/zinc/21/81/03/705218103.db2.gz ULGBQCUJKSWDGA-ZZXKWVIFSA-N 1 0 301.306 1.558 20 5 DDBDRO CC[NH+]1CCN(c2ccc(C(=O)OCCC[N+](=O)[O-])cc2)CC1 ZINC000860919505 705319491 /nfs/dbraw/zinc/31/94/91/705319491.db2.gz LBCWSXAZUHAWEW-UHFFFAOYSA-N 1 0 321.377 1.652 20 5 DDBDRO C[C@H]([NH2+][C@@H]1C[C@H]2CCCCN2C1=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834916450 707147770 /nfs/dbraw/zinc/14/77/70/707147770.db2.gz YVVOELBNSGXLJH-ZKYQVNSYSA-N 1 0 318.377 1.981 20 5 DDBDRO Cn1c(C(=O)OCC23CCC[NH+](CCC2)C3)ccc1[N+](=O)[O-] ZINC000861358452 705445900 /nfs/dbraw/zinc/44/59/00/705445900.db2.gz YFYANHNDOHPCTJ-UHFFFAOYSA-N 1 0 307.350 1.966 20 5 DDBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000824969644 705569284 /nfs/dbraw/zinc/56/92/84/705569284.db2.gz HQAMCANBYBNADM-DOMZBBRYSA-N 1 0 321.377 1.619 20 5 DDBDRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000861908885 705601419 /nfs/dbraw/zinc/60/14/19/705601419.db2.gz XZPFVHFHIWGNEC-MGJOHWMYSA-N 1 0 301.346 1.626 20 5 DDBDRO C[NH+](C)C[C@@H]1CCCCN1C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825699418 705717628 /nfs/dbraw/zinc/71/76/28/705717628.db2.gz BGBALPRMKRPKPP-GJZGRUSLSA-N 1 0 321.377 1.571 20 5 DDBDRO CC[NH2+][C@H](C)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000876551618 705755120 /nfs/dbraw/zinc/75/51/20/705755120.db2.gz UTTUNEHNEHDMKD-GFCCVEGCSA-N 1 0 306.366 1.241 20 5 DDBDRO COCC[NH2+]CCNC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000876790659 705877928 /nfs/dbraw/zinc/87/79/28/705877928.db2.gz APWCNNNQZPXHPS-UHFFFAOYSA-N 1 0 317.345 1.714 20 5 DDBDRO C[C@@H]([NH3+])CN(C)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000863565382 705959022 /nfs/dbraw/zinc/95/90/22/705959022.db2.gz IFRNJVVDJCWTOO-MRVPVSSYSA-N 1 0 300.746 1.466 20 5 DDBDRO CC(C)N1CC[C@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C1=O ZINC000877047011 705971371 /nfs/dbraw/zinc/97/13/71/705971371.db2.gz RYQUJBXMTPFFQK-XIVSLSHWSA-N 1 0 307.354 1.094 20 5 DDBDRO COc1cc(C(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000827329454 705977060 /nfs/dbraw/zinc/97/70/60/705977060.db2.gz GPTJISULARIDQJ-OLZOCXBDSA-N 1 0 319.361 1.770 20 5 DDBDRO Nc1ccc(-c2noc([C@@H](F)[C@H]3CC[NH2+]C3)n2)cc1[N+](=O)[O-] ZINC000863658024 705978765 /nfs/dbraw/zinc/97/87/65/705978765.db2.gz INQVNBGECCNZIX-KWQFWETISA-N 1 0 307.285 1.847 20 5 DDBDRO O=[N+]([O-])c1ccc(Cc2noc([C@H](F)[C@H]3CC[NH2+]C3)n2)nc1 ZINC000863663640 705980824 /nfs/dbraw/zinc/98/08/24/705980824.db2.gz GMYSEWXPBTWAQZ-QPUJVOFHSA-N 1 0 307.285 1.584 20 5 DDBDRO COc1ccc(C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000827375175 705989287 /nfs/dbraw/zinc/98/92/87/705989287.db2.gz TYKVNXYNKGPWBD-QWHCGFSZSA-N 1 0 319.361 1.770 20 5 DDBDRO CCOC(=O)[C@H](C)C1CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000871993203 707272716 /nfs/dbraw/zinc/27/27/16/707272716.db2.gz MQTQIZYNXVNXQL-ABAIWWIYSA-N 1 0 322.361 1.759 20 5 DDBDRO C[NH2+]C1(CNC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000863922311 706038532 /nfs/dbraw/zinc/03/85/32/706038532.db2.gz PWOLCNCZQJVRQP-UHFFFAOYSA-N 1 0 313.304 1.945 20 5 DDBDRO O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000877265926 706040866 /nfs/dbraw/zinc/04/08/66/706040866.db2.gz LPTHKOYCYIZZHJ-GWCFXTLKSA-N 1 0 307.325 1.948 20 5 DDBDRO COc1ccc(C(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)cc1[N+](=O)[O-] ZINC000877289596 706050624 /nfs/dbraw/zinc/05/06/24/706050624.db2.gz VKOXVKQQCXPXOY-NEPJUHHUSA-N 1 0 305.334 1.570 20 5 DDBDRO Cc1c(CC(=O)N[C@]23CCC[C@H]2[NH2+]CC3)cccc1[N+](=O)[O-] ZINC000877389489 706092124 /nfs/dbraw/zinc/09/21/24/706092124.db2.gz MNYGZMSOLLDZLM-ZBFHGGJFSA-N 1 0 303.362 1.847 20 5 DDBDRO CCCN1CCC[C@H]1C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877520626 706131012 /nfs/dbraw/zinc/13/10/12/706131012.db2.gz CTBARXJTGHHRKQ-MOKVOYLWSA-N 1 0 307.398 1.959 20 5 DDBDRO CC(=O)c1ccc(N2C[C@@H](C)N(CCO)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000829015295 706273620 /nfs/dbraw/zinc/27/36/20/706273620.db2.gz FVZZAZLPBLLAOW-TXEJJXNPSA-N 1 0 321.377 1.689 20 5 DDBDRO CCC(=O)c1ccc(N2CCN(CCO)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000829576235 706359631 /nfs/dbraw/zinc/35/96/31/706359631.db2.gz BUDGZAUAYZJANO-LBPRGKRZSA-N 1 0 321.377 1.690 20 5 DDBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000830015880 706437977 /nfs/dbraw/zinc/43/79/77/706437977.db2.gz GFDYBIMLQOTUNX-YMTOWFKASA-N 1 0 307.325 1.946 20 5 DDBDRO Cn1nccc1[C@H](CO)NCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000878702470 706473387 /nfs/dbraw/zinc/47/33/87/706473387.db2.gz KZXIGUDTYVVTDZ-NSHDSACASA-N 1 0 310.741 1.805 20 5 DDBDRO COC(=O)CC[C@@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000880039119 706860294 /nfs/dbraw/zinc/86/02/94/706860294.db2.gz FSCFBCYKAPIKCZ-LBPRGKRZSA-N 1 0 310.354 1.457 20 5 DDBDRO COC(=O)CC[C@H]1CCC[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000880042639 706861896 /nfs/dbraw/zinc/86/18/96/706861896.db2.gz FOEFXJZKMMDECH-CYBMUJFWSA-N 1 0 324.381 1.765 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1CN1C[C@@H]2CCC[N@@H+]2C[C@@H]1CO ZINC000880072652 706870994 /nfs/dbraw/zinc/87/09/94/706870994.db2.gz GDLCPRYKSIGVEM-LSDHHAIUSA-N 1 0 321.377 1.244 20 5 DDBDRO O=[N+]([O-])c1ccc(CN2C[C@@H]3CCC[N@H+]3C[C@@H]2CO)cc1F ZINC000880071915 706871151 /nfs/dbraw/zinc/87/11/51/706871151.db2.gz QEIAMTGIXSQGRB-QWHCGFSZSA-N 1 0 309.341 1.375 20 5 DDBDRO O=C(N[C@@H]1C[NH2+]CCC1(F)F)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000834841056 707135234 /nfs/dbraw/zinc/13/52/34/707135234.db2.gz JQZZLUIWUUZWPP-SNVBAGLBSA-N 1 0 319.695 1.975 20 5 DDBDRO Cc1ccc(Cn2cc(CSCC[NH3+])nn2)cc1[N+](=O)[O-] ZINC000881213141 707155278 /nfs/dbraw/zinc/15/52/78/707155278.db2.gz WSABWMCQCHVPMH-UHFFFAOYSA-N 1 0 307.379 1.735 20 5 DDBDRO CC(C)(C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)(F)F ZINC000872231234 707339850 /nfs/dbraw/zinc/33/98/50/707339850.db2.gz FAEJEDLTFKVXQL-JTQLQIEISA-N 1 0 306.313 1.423 20 5 DDBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@]13C[C@H]1C[C@H]([NH3+])C3)CC2 ZINC000872297246 707370390 /nfs/dbraw/zinc/37/03/90/707370390.db2.gz KTUVJJUFXSVEHC-WQGACYEGSA-N 1 0 301.346 1.920 20 5 DDBDRO O=[N+]([O-])c1ccc2[nH]c(N3C[C@@H]4CCC[N@H+]4C[C@@H]3CO)nc2c1 ZINC000872757604 707586735 /nfs/dbraw/zinc/58/67/35/707586735.db2.gz GVBVSNHGCLCONV-NWDGAFQWSA-N 1 0 317.349 1.116 20 5 DDBDRO Cn1nc2c(c1C[NH2+]CCn1cc([N+](=O)[O-])cn1)CSCC2 ZINC000883051238 707913623 /nfs/dbraw/zinc/91/36/23/707913623.db2.gz SKCCOIADDKRMTH-UHFFFAOYSA-N 1 0 322.394 1.104 20 5 DDBDRO CON1CCC([N@H+](C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000839131965 708028708 /nfs/dbraw/zinc/02/87/08/708028708.db2.gz SDERXQQMHXIZHO-OAHLLOKOSA-N 1 0 309.366 1.586 20 5 DDBDRO C[N@@H+]1C[C@@H]2CN(c3ccc(C(N)=O)cc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000896914341 708181294 /nfs/dbraw/zinc/18/12/94/708181294.db2.gz AUXRYRYCAGCLTM-ABAIWWIYSA-N 1 0 304.350 1.082 20 5 DDBDRO COc1cc(N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)ccc1[N+](=O)[O-] ZINC000897221297 708259341 /nfs/dbraw/zinc/25/93/41/708259341.db2.gz KYGCWZGFLOFPIZ-UONOGXRCSA-N 1 0 321.377 1.639 20 5 DDBDRO CN(C(=O)C[N@@H+]1C[C@@H]2CSC[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000886564338 708777610 /nfs/dbraw/zinc/77/76/10/708777610.db2.gz TVMWWVOBDNJOHV-TXEJJXNPSA-N 1 0 321.402 1.852 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCN1CCNC1=O ZINC000886747270 708834466 /nfs/dbraw/zinc/83/44/66/708834466.db2.gz PHUNWTYJZDHRRA-JTQLQIEISA-N 1 0 308.338 1.279 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@](CO)(C(F)(F)F)C2)c1 ZINC000886799100 708847125 /nfs/dbraw/zinc/84/71/25/708847125.db2.gz MNCIPYHHMWJSHF-JTQLQIEISA-N 1 0 308.260 1.038 20 5 DDBDRO C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](O)c3cccc([N+](=O)[O-])c3)C[C@]2(C)C1 ZINC000887924530 709164763 /nfs/dbraw/zinc/16/47/63/709164763.db2.gz OSNCCZIYIKOEGD-INWMFGNUSA-N 1 0 319.361 1.038 20 5 DDBDRO C[C@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000912809656 713098193 /nfs/dbraw/zinc/09/81/93/713098193.db2.gz JVDYPLDOJAOQQZ-MNOVXSKESA-N 1 0 309.370 1.510 20 5 DDBDRO O=[N+]([O-])c1ccccc1N1CCN(c2cc[nH+]cc2CO)CC1 ZINC000891472250 710210950 /nfs/dbraw/zinc/21/09/50/710210950.db2.gz XREYLAFRUVXQAO-UHFFFAOYSA-N 1 0 314.345 1.809 20 5 DDBDRO COc1cc([N+](=O)[O-])cnc1NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000891572209 710238604 /nfs/dbraw/zinc/23/86/04/710238604.db2.gz RLTGVEJXPWKFAX-ZDUSSCGKSA-N 1 0 324.381 1.767 20 5 DDBDRO COc1cc([N+](=O)[O-])cnc1NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000891674212 710263059 /nfs/dbraw/zinc/26/30/59/710263059.db2.gz FYWWGKNWMNLPQK-RYUDHWBXSA-N 1 0 324.381 1.910 20 5 DDBDRO CC[N@H+](C)C[C@H]1CCN(c2ccc3nonc3c2[N+](=O)[O-])C1 ZINC000892730836 710489305 /nfs/dbraw/zinc/48/93/05/710489305.db2.gz KBINOXDTZGLVPR-SNVBAGLBSA-N 1 0 305.338 1.909 20 5 DDBDRO C[C@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000893015489 710541633 /nfs/dbraw/zinc/54/16/33/710541633.db2.gz SSZIEWKEXDUYBI-NWDGAFQWSA-N 1 0 323.397 1.663 20 5 DDBDRO C[N@@H+]1C[C@@]2(C)CN(C(=O)c3ccc([N+](=O)[O-])cn3)C[C@@]2(C)C1 ZINC000913285496 713191768 /nfs/dbraw/zinc/19/17/68/713191768.db2.gz YFLHFAKEXCOMIP-GASCZTMLSA-N 1 0 304.350 1.404 20 5 DDBDRO C[C@@H]1[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1C ZINC000928440062 713197010 /nfs/dbraw/zinc/19/70/10/713197010.db2.gz AMGROLIEJPFZIE-NOZJJQNGSA-N 1 0 311.769 2.000 20 5 DDBDRO C[C@@H]1[C@H](NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CC[N@@H+]1C ZINC000928450120 713202263 /nfs/dbraw/zinc/20/22/63/713202263.db2.gz SHNDEZSYVZZIEP-BXKDBHETSA-N 1 0 321.333 1.188 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1N1CC[N@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000893743758 710803356 /nfs/dbraw/zinc/80/33/56/710803356.db2.gz IOQHOZZKSVJOSO-AWEZNQCLSA-N 1 0 315.377 1.691 20 5 DDBDRO CC[C@H](C(=O)NCc1cc([N+](=O)[O-])c(F)cc1F)[NH+](C)C ZINC000911469749 710811903 /nfs/dbraw/zinc/81/19/03/710811903.db2.gz IMTHZDPREASGDQ-LLVKDONJSA-N 1 0 301.293 1.829 20 5 DDBDRO CCOC(=O)c1ccnc(N2CC[C@H]3C[N@H+](C)C[C@@H]32)c1[N+](=O)[O-] ZINC000893941813 710894822 /nfs/dbraw/zinc/89/48/22/710894822.db2.gz WWXPVMKHDVDUOZ-JQWIXIFHSA-N 1 0 320.349 1.307 20 5 DDBDRO C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000911826918 711017970 /nfs/dbraw/zinc/01/79/70/711017970.db2.gz USWBERFPHHKJGT-JUDXGUMMSA-N 1 0 303.362 1.894 20 5 DDBDRO COc1cc([C@H](C)[NH2+][C@@H]2CCN(C(C)=O)C2)cc([N+](=O)[O-])c1 ZINC000903207104 711064823 /nfs/dbraw/zinc/06/48/23/711064823.db2.gz VJFPJZCVBUZOAW-GXFFZTMASA-N 1 0 307.350 1.875 20 5 DDBDRO COCC[C@H]1C[NH2+]CCN1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000903831976 711295200 /nfs/dbraw/zinc/29/52/00/711295200.db2.gz YBBNTFKTQOMJIL-ZDUSSCGKSA-N 1 0 309.366 1.414 20 5 DDBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]C[C@H]2COCO2)c1 ZINC000894874047 711304186 /nfs/dbraw/zinc/30/41/86/711304186.db2.gz VGNYZKCTPXVUCL-JTQLQIEISA-N 1 0 304.249 1.659 20 5 DDBDRO C[N@H+](CCO)CCNc1c2cc(F)ccc2ncc1[N+](=O)[O-] ZINC000895240943 711462214 /nfs/dbraw/zinc/46/22/14/711462214.db2.gz PLDUGUWGYGSOBH-UHFFFAOYSA-N 1 0 308.313 1.040 20 5 DDBDRO COC(=O)[C@@]1(O)CC[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000895703734 711583007 /nfs/dbraw/zinc/58/30/07/711583007.db2.gz ONLYQPWFAWEBAX-IYCSXQJISA-N 1 0 320.345 1.608 20 5 DDBDRO CCO[C@H](CNc1c2ccccc2ncc1[N+](=O)[O-])C[NH+](C)C ZINC000896110702 711677817 /nfs/dbraw/zinc/67/78/17/711677817.db2.gz AZNJSYCLQLTUAQ-GFCCVEGCSA-N 1 0 318.377 1.944 20 5 DDBDRO C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)[C@@H]1C[N@H+](C)CCN1C ZINC000896570055 711755141 /nfs/dbraw/zinc/75/51/41/711755141.db2.gz XCFKTFONGULAJX-HZMBPMFUSA-N 1 0 324.356 1.098 20 5 DDBDRO CCS(=O)(=O)CC[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000905644560 712105368 /nfs/dbraw/zinc/10/53/68/712105368.db2.gz RQUORDVNMBUYRA-NSHDSACASA-N 1 0 300.380 1.723 20 5 DDBDRO COCC(COC)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000929988949 713730082 /nfs/dbraw/zinc/73/00/82/713730082.db2.gz PAMZKIPXVYTZKU-NSHDSACASA-N 1 0 310.354 1.137 20 5 DDBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000930441078 713836037 /nfs/dbraw/zinc/83/60/37/713836037.db2.gz QXWKVHMGTLHOKI-YCPHGPKFSA-N 1 0 306.362 1.873 20 5 DDBDRO CON1CC[C@@H]([N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1=O ZINC000930636366 713883814 /nfs/dbraw/zinc/88/38/14/713883814.db2.gz GAKYIBRVBFDQKW-UKRRQHHQSA-N 1 0 319.361 1.937 20 5 DDBDRO C[N@H+](CCNC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000930651590 713887733 /nfs/dbraw/zinc/88/77/33/713887733.db2.gz YVXJTMNOYPWJIS-LSDHHAIUSA-N 1 0 303.362 1.909 20 5 DDBDRO [NH3+]CCN(CCO)Cc1cc([N+](=O)[O-])ccc1Br ZINC000923332634 714318230 /nfs/dbraw/zinc/31/82/30/714318230.db2.gz UBXGYUDZTIFZGA-UHFFFAOYSA-N 1 0 318.171 1.110 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)CN2CC[NH2+]C[C@@H]2C(F)F)c1 ZINC000923350563 714323236 /nfs/dbraw/zinc/32/32/36/714323236.db2.gz CEAWSHLQXZGKIW-NEPJUHHUSA-N 1 0 301.293 1.167 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)CN2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000923365514 714329277 /nfs/dbraw/zinc/32/92/77/714329277.db2.gz FPXUHMOQXRDEPK-CVEARBPZSA-N 1 0 305.378 1.704 20 5 DDBDRO CN(Cc1cc([N+](=O)[O-])ccc1Br)C[C@H](O)C[NH3+] ZINC000923367768 714329643 /nfs/dbraw/zinc/32/96/43/714329643.db2.gz XIPQCRUEEZYWLU-SNVBAGLBSA-N 1 0 318.171 1.109 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)CN[C@H]1CC[NH2+]C12CCC2 ZINC000923398771 714342067 /nfs/dbraw/zinc/34/20/67/714342067.db2.gz LVSYQTIXVZGIER-WFASDCNBSA-N 1 0 321.377 1.209 20 5 DDBDRO COc1ccc(CN2CCC[C@@H]([NH2+]CCO)C2)cc1[N+](=O)[O-] ZINC000923406681 714345205 /nfs/dbraw/zinc/34/52/05/714345205.db2.gz XQHZSVLKMOHHAO-CYBMUJFWSA-N 1 0 309.366 1.150 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H]1COC[C@H]1C ZINC000932495195 714346582 /nfs/dbraw/zinc/34/65/82/714346582.db2.gz VWDBQJPFLAFNPR-RISCZKNCSA-N 1 0 307.350 1.856 20 5 DDBDRO C[C@@](CO)(Cc1ccc(Br)cc1)[NH2+]CC[N+](=O)[O-] ZINC000933443629 714590394 /nfs/dbraw/zinc/59/03/94/714590394.db2.gz YJTYFUPHOYMTGU-LBPRGKRZSA-N 1 0 317.183 1.609 20 5 DDBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1C(=O)N[C@@H](C[NH+](C)C)C1=O ZINC000924474627 714590357 /nfs/dbraw/zinc/59/03/57/714590357.db2.gz MMJQGVYNEAVGDW-SKDRFNHKSA-N 1 0 306.322 1.138 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCCC[C@H]([C@H]3CCOC3)C2)c1 ZINC000934832310 714912685 /nfs/dbraw/zinc/91/26/85/714912685.db2.gz AXMPUKYQDCYDRH-KBPBESRZSA-N 1 0 308.382 1.930 20 5 DDBDRO CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000925827287 714945168 /nfs/dbraw/zinc/94/51/68/714945168.db2.gz REGYUECCCZQGQV-DDTOSNHZSA-N 1 0 307.350 1.539 20 5 DDBDRO CCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC[C@@H]2C1 ZINC000946589309 718844338 /nfs/dbraw/zinc/84/43/38/718844338.db2.gz RESZYICNQIRDSN-LXTVHRRPSA-N 1 0 309.410 1.622 20 5 DDBDRO CCC[C@@H]1CN(c2cc(N)c([N+](=O)[O-])cn2)CC[N@@H+]1CCOC ZINC001120913541 782230820 /nfs/dbraw/zinc/23/08/20/782230820.db2.gz RMVCOPPSEZGDGI-GFCCVEGCSA-N 1 0 323.397 1.509 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1NC1CCN(c2cc[nH+]cc2)CC1 ZINC001120923974 782237872 /nfs/dbraw/zinc/23/78/72/782237872.db2.gz NPXSXULYBUKPLP-UHFFFAOYSA-N 1 0 302.338 1.804 20 5 DDBDRO O=[N+]([O-])c1cnc(N2CC(c3cccnc3)C2)nc1C1C[NH2+]C1 ZINC001167072826 732453031 /nfs/dbraw/zinc/45/30/31/732453031.db2.gz ZLXIRBPBQHBWLS-UHFFFAOYSA-N 1 0 312.333 1.070 20 5 DDBDRO CC(C)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1)CS(C)(=O)=O ZINC000693053639 732861665 /nfs/dbraw/zinc/86/16/65/732861665.db2.gz XOCKLOJMVBMCRR-UHFFFAOYSA-N 1 0 300.380 1.755 20 5 DDBDRO Cc1[nH]ccc1C(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001125429566 733308475 /nfs/dbraw/zinc/30/84/75/733308475.db2.gz GNLAXFGOQKHCHN-UHFFFAOYSA-N 1 0 302.334 1.751 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@@H](NC(=O)C=C2CCC2)C1 ZINC001021952841 733680212 /nfs/dbraw/zinc/68/02/12/733680212.db2.gz MXWUPOGYGRNCJE-TXEJJXNPSA-N 1 0 319.365 1.175 20 5 DDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000891607098 734424089 /nfs/dbraw/zinc/42/40/89/734424089.db2.gz LZYQZUGHYFXDCC-BETUJISGSA-N 1 0 304.350 1.283 20 5 DDBDRO COC(=O)c1cc(C)nc(NC(=N)SCC[NH3+])c1[N+](=O)[O-] ZINC001167912814 734870605 /nfs/dbraw/zinc/87/06/05/734870605.db2.gz HJHWAEQZGRUGJK-UHFFFAOYSA-N 1 0 313.339 1.123 20 5 DDBDRO Cc1ccc(CC(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)o1 ZINC001125858646 736799303 /nfs/dbraw/zinc/79/93/03/736799303.db2.gz LSEIFHWJMFNDTD-UHFFFAOYSA-N 1 0 317.345 1.945 20 5 DDBDRO Cc1c(CC(=O)N[C@@H](CO)c2cncn2C)cccc1[N+](=O)[O-] ZINC001168348523 742210394 /nfs/dbraw/zinc/21/03/94/742210394.db2.gz DHQMHYAMIGXMRO-LBPRGKRZSA-N 1 0 318.333 1.029 20 5 DDBDRO O=C(NCC[NH2+]Cc1ccc(C(F)F)cc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126936453 742840567 /nfs/dbraw/zinc/84/05/67/742840567.db2.gz IQSCIKRWZJIVIB-VXGBXAGGSA-N 1 0 313.304 1.495 20 5 DDBDRO C[C@@H]1CN(CCn2ccc([N+](=O)[O-])n2)CC[N@@H+]1C1CCCC1 ZINC001197798467 747268009 /nfs/dbraw/zinc/26/80/09/747268009.db2.gz MRXIVLYEKUMLCD-CYBMUJFWSA-N 1 0 307.398 1.740 20 5 DDBDRO CCOCC(=O)N1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001199195346 747736677 /nfs/dbraw/zinc/73/66/77/747736677.db2.gz USGLGEGUODOUST-UHFFFAOYSA-N 1 0 321.377 1.712 20 5 DDBDRO O=C(c1c(F)cccc1[N+](=O)[O-])N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000876841087 749336422 /nfs/dbraw/zinc/33/64/22/749336422.db2.gz JXQWNRKYKQWWPV-OAHLLOKOSA-N 1 0 307.325 1.950 20 5 DDBDRO CC(C)[N@H+](C)CC(=O)NC/C=C\CNc1ncccc1[N+](=O)[O-] ZINC001107232698 749661886 /nfs/dbraw/zinc/66/18/86/749661886.db2.gz GBHNXZNCGKAPSW-PLNGDYQASA-N 1 0 321.381 1.414 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(NC/C=C\CNC(=O)CC[NH+](C)C)n1 ZINC001107489883 750045247 /nfs/dbraw/zinc/04/52/47/750045247.db2.gz LLQGWXDKZDHCHW-PLNGDYQASA-N 1 0 321.381 1.334 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])ncc1N(CC[NH3+])c1cccnc1 ZINC001168837393 762062553 /nfs/dbraw/zinc/06/25/53/762062553.db2.gz HCQYLCBLKIYNJC-UHFFFAOYSA-N 1 0 317.305 1.268 20 5 DDBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)Nc2cccnn2)cc1[N+](=O)[O-] ZINC001168552317 750814362 /nfs/dbraw/zinc/81/43/62/750814362.db2.gz DDOAROGSPZWTJJ-NSHDSACASA-N 1 0 315.333 1.983 20 5 DDBDRO O=C(NCC1([NH2+]C/C=C\Cl)CCCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001115530741 751045752 /nfs/dbraw/zinc/04/57/52/751045752.db2.gz OMBLSZZFJROUQF-MGNMTHHWSA-N 1 0 315.801 1.813 20 5 DDBDRO CN1CCc2c(-n3cc(CC[NH3+])cn3)ccc([N+](=O)[O-])c2C1 ZINC001168952101 762141475 /nfs/dbraw/zinc/14/14/75/762141475.db2.gz DXHAOSYCKJOLJS-UHFFFAOYSA-N 1 0 301.350 1.270 20 5 DDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2ncc(Br)cn2)C1 ZINC001168979937 762148388 /nfs/dbraw/zinc/14/83/88/762148388.db2.gz CHVUXHMQJTWHHQ-WCBMZHEXSA-N 1 0 315.171 1.774 20 5 DDBDRO COc1ccc(C[C@H](CO)[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)cc1 ZINC001168983708 762151375 /nfs/dbraw/zinc/15/13/75/762151375.db2.gz KVMVPPQLRHWWDB-RRFJBIMHSA-N 1 0 308.378 1.634 20 5 DDBDRO [NH3+]Cc1cccc(-c2nnn([C@@H]3CC[C@H](C[N+](=O)[O-])C3)n2)c1 ZINC001168979191 762148173 /nfs/dbraw/zinc/14/81/73/762148173.db2.gz WZTWBBGHSASIQR-WCQYABFASA-N 1 0 302.338 1.417 20 5 DDBDRO O=C1C=CC(=O)N1CCCCC[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168974429 762163632 /nfs/dbraw/zinc/16/36/32/762163632.db2.gz QGQPJQZYRPXDBG-STQMWFEESA-N 1 0 309.366 1.117 20 5 DDBDRO CC(C)NC(=O)N1CCC([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168991551 762166085 /nfs/dbraw/zinc/16/60/85/762166085.db2.gz HISNSTPZWMPBIS-JSGCOSHPSA-N 1 0 312.414 1.604 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2ccn(CC(F)(F)F)n2)C1 ZINC001168997517 762169689 /nfs/dbraw/zinc/16/96/89/762169689.db2.gz CVQWEQHSABONMZ-NXEZZACHSA-N 1 0 306.288 1.980 20 5 DDBDRO Cc1cc(N2CC[C@@H]([NH2+][C@@H]3CC[C@H](C[N+](=O)[O-])C3)C2)ncn1 ZINC001168997200 762169883 /nfs/dbraw/zinc/16/98/83/762169883.db2.gz YDKKOLVKTZIQDI-BFHYXJOUSA-N 1 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Cc1n[nH]c(C(=O)NCC23CCC[NH+](CCC2)C3)c1[N+](=O)[O-] ZINC001169392229 762408385 /nfs/dbraw/zinc/40/83/85/762408385.db2.gz ALHLPYBYAHGZPV-UHFFFAOYSA-N 1 0 307.354 1.232 20 5 DDBDRO C[C@H](Nc1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-])c1cnccn1 ZINC001169529651 762489220 /nfs/dbraw/zinc/48/92/20/762489220.db2.gz ODWWMHOWQFQHBU-QMMMGPOBSA-N 1 0 301.310 1.035 20 5 DDBDRO CCN(c1ncc(C(=O)OC)cc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC001158201068 767853900 /nfs/dbraw/zinc/85/39/00/767853900.db2.gz SPTIHSXZEYEWKG-NSHDSACASA-N 1 0 308.338 1.355 20 5 DDBDRO [NH3+][C@@H]1CCN(C2CCN(c3ncc([N+](=O)[O-])cc3F)CC2)C1 ZINC001158258874 767906857 /nfs/dbraw/zinc/90/68/57/767906857.db2.gz KXLGRHQUAIQYKR-SNVBAGLBSA-N 1 0 309.345 1.131 20 5 DDBDRO O=C(NCCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1cnsn1 ZINC001155091658 760573300 /nfs/dbraw/zinc/57/33/00/760573300.db2.gz SXLQLKGHWJQGQG-UHFFFAOYSA-N 1 0 321.362 1.356 20 5 DDBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1)c1ncc[nH]1 ZINC001020133200 760606221 /nfs/dbraw/zinc/60/62/21/760606221.db2.gz IZOBMPIGNMQJRC-MGCOHNPYSA-N 1 0 321.362 1.430 20 5 DDBDRO Cc1cncn1CC(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001131376955 768102331 /nfs/dbraw/zinc/10/23/31/768102331.db2.gz DYPMQHUQSMRIOU-UHFFFAOYSA-N 1 0 317.349 1.006 20 5 DDBDRO Cc1cncn1CC(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001131380696 768105242 /nfs/dbraw/zinc/10/52/42/768105242.db2.gz WWTLKHDKYCEVML-UHFFFAOYSA-N 1 0 317.349 1.006 20 5 DDBDRO [NH3+]Cc1ccc2nnn(-c3cc([N+](=O)[O-])c4nccn4c3)c2c1 ZINC001170024045 764094854 /nfs/dbraw/zinc/09/48/54/764094854.db2.gz SWTNDLGIKKPCJK-UHFFFAOYSA-N 1 0 309.289 1.435 20 5 DDBDRO COc1ccc(C[C@@H](C)[NH2+][C@H]2CCCN(C)C2=O)c([N+](=O)[O-])c1 ZINC001170312206 766244339 /nfs/dbraw/zinc/24/43/39/766244339.db2.gz DQADKCQGSPVJKT-RISCZKNCSA-N 1 0 321.377 1.745 20 5 DDBDRO COc1ccc(C[C@H](C)[NH2+]C[C@@H]2CNC(=O)O2)c([N+](=O)[O-])c1 ZINC001170326032 766252858 /nfs/dbraw/zinc/25/28/58/766252858.db2.gz CMJOIAUDDBUVCL-JOYOIKCWSA-N 1 0 309.322 1.232 20 5 DDBDRO COc1ccc(C[C@H](C)[N@@H+]2CC[C@H](O)[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC001170334411 766256919 /nfs/dbraw/zinc/25/69/19/766256919.db2.gz DGUXSSZQEXHVRR-RBOXIYTFSA-N 1 0 324.377 1.210 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(NCCNC(=O)C[N@@H+](C)C(C)C)n1 ZINC001093674450 774989199 /nfs/dbraw/zinc/98/91/99/774989199.db2.gz XVWYAFLFGJEFCH-UHFFFAOYSA-N 1 0 309.370 1.167 20 5 DDBDRO C[NH+](C)C1(C(=O)NCCNc2ccc(F)cc2[N+](=O)[O-])CCC1 ZINC001093927769 775220921 /nfs/dbraw/zinc/22/09/21/775220921.db2.gz NHEGOBUDJDJYKR-UHFFFAOYSA-N 1 0 324.356 1.746 20 5 DDBDRO Cc1ccnc(N(C)CCNC(=O)C[N@@H+](C)C(C)C)c1[N+](=O)[O-] ZINC001100149752 775735708 /nfs/dbraw/zinc/73/57/08/775735708.db2.gz OXALVMOZLQHFJL-UHFFFAOYSA-N 1 0 323.397 1.191 20 5 DDBDRO C[N@H+](CC(=O)NCCCNc1ncccc1[N+](=O)[O-])C1CCC1 ZINC001094853295 776502464 /nfs/dbraw/zinc/50/24/64/776502464.db2.gz JFYDPGVKWRPNIP-UHFFFAOYSA-N 1 0 321.381 1.392 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]CCN1CCOCC1)CC2 ZINC001172899419 776915198 /nfs/dbraw/zinc/91/51/98/776915198.db2.gz XLAAUNIWFGCACR-INIZCTEOSA-N 1 0 319.405 1.764 20 5 DDBDRO CN1CC[C@H]([NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1=O ZINC001172899755 776915219 /nfs/dbraw/zinc/91/52/19/776915219.db2.gz PDIDZFJFOPQTKF-HIFRSBDPSA-N 1 0 303.362 1.663 20 5 DDBDRO O=C1NC[C@H](C[NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)O1 ZINC001172909222 776925696 /nfs/dbraw/zinc/92/56/96/776925696.db2.gz RBLIVRLKEGVZNA-OCCSQVGLSA-N 1 0 305.334 1.540 20 5 DDBDRO NC(=O)[C@@H]1CC[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172914846 776929328 /nfs/dbraw/zinc/92/93/28/776929328.db2.gz KJMHWUHIHLIMFU-ZIAGYGMSSA-N 1 0 303.362 1.649 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@@H]2CNC(=O)C2)c1F ZINC001173181457 777035098 /nfs/dbraw/zinc/03/50/98/777035098.db2.gz WNERCXYGXCGZHM-IUCAKERBSA-N 1 0 311.313 1.152 20 5 DDBDRO CC[N@H+](C)CCC(=O)N(C)CCNc1ncccc1[N+](=O)[O-] ZINC001101756608 777479139 /nfs/dbraw/zinc/47/91/39/777479139.db2.gz FZBPKXIZNHYDQZ-UHFFFAOYSA-N 1 0 309.370 1.202 20 5 DDBDRO CC[N@H+](C)C(C)(C)C(=O)N(C)CCNc1ncccc1[N+](=O)[O-] ZINC001101829475 777575914 /nfs/dbraw/zinc/57/59/14/777575914.db2.gz NHECTEQEHALQAG-UHFFFAOYSA-N 1 0 323.397 1.590 20 5 DDBDRO Cc1cc([N+](=O)[O-])cnc1NCCN(C)C(=O)CCC[NH+](C)C ZINC001101938784 777702871 /nfs/dbraw/zinc/70/28/71/777702871.db2.gz HBHKKEFWKKROJI-UHFFFAOYSA-N 1 0 323.397 1.510 20 5 DDBDRO CC[NH+](CC)C1CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC1 ZINC001116795248 780560328 /nfs/dbraw/zinc/56/03/28/780560328.db2.gz KBEMWIBOTOAKTM-UHFFFAOYSA-N 1 0 322.365 1.642 20 5 DDBDRO Cc1cncc([N+](=O)[O-])c1N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC001117290504 780707413 /nfs/dbraw/zinc/70/74/13/780707413.db2.gz YYKQXDFZZJGGIN-JSGCOSHPSA-N 1 0 306.366 1.334 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1CCCC[C@H]1[NH3+] ZINC001118144244 781041063 /nfs/dbraw/zinc/04/10/63/781041063.db2.gz RUBMOYVBKZALMU-CHWSQXEVSA-N 1 0 307.350 1.737 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1[C@@H]2CCC[NH2+][C@H]2C1(C)C ZINC001119304679 781399763 /nfs/dbraw/zinc/39/97/63/781399763.db2.gz RYJIFXHQDNICGI-MRVWCRGKSA-N 1 0 318.377 1.805 20 5 DDBDRO C[C@@H]1CN(c2cc[nH+]cc2)CCN1Cn1cc([N+](=O)[O-])cn1 ZINC001119337600 781411194 /nfs/dbraw/zinc/41/11/94/781411194.db2.gz IZLZAHZHUNPWLJ-GFCCVEGCSA-N 1 0 302.338 1.355 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H]3CC[N@@H+](C)[C@H]3C2)c1C ZINC001119403813 781439049 /nfs/dbraw/zinc/43/90/49/781439049.db2.gz NPMWQPVKZJZAHO-OCCSQVGLSA-N 1 0 303.362 1.988 20 5 DDBDRO Cc1nn(C)c(N2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)c1[N+](=O)[O-] ZINC001119983129 781708257 /nfs/dbraw/zinc/70/82/57/781708257.db2.gz PRQPDOYVZVWPMJ-RWMBFGLXSA-N 1 0 307.398 1.803 20 5 DDBDRO CN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)c1cnccn1 ZINC001267341359 837863249 /nfs/dbraw/zinc/86/32/49/837863249.db2.gz DYYHPLFHMGRSAZ-UHFFFAOYSA-N 1 0 315.333 1.247 20 5 DDBDRO CN(CC[NH2+]Cc1c([N+](=O)[O-])ncn1C)C(=O)CC1CCC1 ZINC001267359813 837907038 /nfs/dbraw/zinc/90/70/38/837907038.db2.gz UVHBAHIJCLAUBG-UHFFFAOYSA-N 1 0 309.370 1.067 20 5 DDBDRO CC(C)c1cnc(C[NH2+]CCCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])o1 ZINC001268791798 840820427 /nfs/dbraw/zinc/82/04/27/840820427.db2.gz RBXYNLPWNOGQOA-VXGBXAGGSA-N 1 0 324.381 1.401 20 5 DDBDRO CC(C)(CNC(=O)c1ccc([N+](=O)[O-])cc1N)n1ccnc1 ZINC001149212960 861489502 /nfs/dbraw/zinc/48/95/02/861489502.db2.gz GPCTVZKUSJKJFO-UHFFFAOYSA-N 1 0 303.322 1.539 20 5 DDBDRO CC(C)(C)OC(=O)N1C[C@H](OCCC[N+](C)(C)C)CC1=O ZINC001224624180 844923623 /nfs/dbraw/zinc/92/36/23/844923623.db2.gz VGQZTAZILVFOOU-GFCCVEGCSA-N 1 0 301.407 1.635 20 5 DDBDRO Cc1cncc([N+](=O)[O-])c1N1CCOC2(CC[NH+](C)CC2)C1 ZINC001326766477 861599690 /nfs/dbraw/zinc/59/96/90/861599690.db2.gz IPQGPUFHAFQCNZ-UHFFFAOYSA-N 1 0 306.366 1.599 20 5 DDBDRO COc1cc(C)nc(N2CCOC[C@H]2C[NH+](C)C)c1[N+](=O)[O-] ZINC001154967691 861609583 /nfs/dbraw/zinc/60/95/83/861609583.db2.gz KTTUFWXQJYWKKM-LLVKDONJSA-N 1 0 310.354 1.074 20 5 DDBDRO CCOc1cc(OC(=O)C[C@@H](O)C[N+](C)(C)C)c(Cl)cn1 ZINC001234929380 846375937 /nfs/dbraw/zinc/37/59/37/846375937.db2.gz CXXRYSFBAVCQJO-SNVBAGLBSA-N 1 0 317.793 1.496 20 5 DDBDRO O=C(NCCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1cncs1 ZINC001155207761 861841083 /nfs/dbraw/zinc/84/10/83/861841083.db2.gz BITCPVGOHZAUPL-UHFFFAOYSA-N 1 0 320.374 1.961 20 5 DDBDRO [NH3+][C@H]1COC[C@H]1NC(F)(F)c1cc([N+](=O)[O-])cnc1Cl ZINC001155345898 861979540 /nfs/dbraw/zinc/97/95/40/861979540.db2.gz MWUPEAADZZOGHG-JGVFFNPUSA-N 1 0 308.672 1.008 20 5 DDBDRO COc1nc(N[C@@]23CCC[C@@H]2[NH2+]CC3)nc(OC)c1[N+](=O)[O-] ZINC001155402697 862048743 /nfs/dbraw/zinc/04/87/43/862048743.db2.gz BDYOHZCGPXCYCE-ISVAXAHUSA-N 1 0 309.326 1.099 20 5 DDBDRO Nc1nc(NCC[C@H]2C[NH2+]Cc3cccn3C2)ccc1[N+](=O)[O-] ZINC001155459482 862109667 /nfs/dbraw/zinc/10/96/67/862109667.db2.gz SGQOCPFTZYBGDB-NSHDSACASA-N 1 0 316.365 1.595 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)ncnc2NC[C@@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001155482762 862143863 /nfs/dbraw/zinc/14/38/63/862143863.db2.gz CNNAIHQEXYDGMP-GAJTVXKRSA-N 1 0 315.333 1.184 20 5 DDBDRO C[NH2+][C@@H](C)CCNC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001327485080 862207579 /nfs/dbraw/zinc/20/75/79/862207579.db2.gz CXPPOSQXZBGEDK-NSHDSACASA-N 1 0 322.365 1.365 20 5 DDBDRO O=[N+]([O-])c1ccc2c(ccnc2NC[C@@]23C[NH2+][C@@H](CO2)C3)c1 ZINC001155545210 862212076 /nfs/dbraw/zinc/21/20/76/862212076.db2.gz NSVGAOSHSREQIN-IAQYHMDHSA-N 1 0 300.318 1.686 20 5 DDBDRO O=C1C[C@@H]2[NH2+]CC[C@]2(Nc2ccc3c(cccc3[N+](=O)[O-])n2)N1 ZINC001155568661 862233402 /nfs/dbraw/zinc/23/34/02/862233402.db2.gz AUIJNMQAHQGXFO-WFASDCNBSA-N 1 0 313.317 1.133 20 5 DDBDRO Cc1nc(NC[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)ncc1[N+](=O)[O-] ZINC001155601333 862278755 /nfs/dbraw/zinc/27/87/55/862278755.db2.gz JCBKMBWWVMUARV-RISCZKNCSA-N 1 0 307.354 1.264 20 5 DDBDRO O=[N+]([O-])c1cc(Cl)nc(N(c2ncccn2)C2C[NH2+]C2)c1 ZINC001155862929 862517853 /nfs/dbraw/zinc/51/78/53/862517853.db2.gz WUHZMYPRHIEELT-UHFFFAOYSA-N 1 0 306.713 1.543 20 5 DDBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)c1 ZINC001122300339 858743614 /nfs/dbraw/zinc/74/36/14/858743614.db2.gz PIVYQXHGNZPPMM-XXILOJSOSA-N 1 0 307.375 1.939 20 5 DDBDRO CC[C@@H](C)[NH+]1CCN(c2nnc(C[N+](=O)[O-])n2CC(C)C)CC1 ZINC001122817780 858978853 /nfs/dbraw/zinc/97/88/53/858978853.db2.gz PROATEBWRFEKHO-CYBMUJFWSA-N 1 0 324.429 1.631 20 5 DDBDRO CCOC(=O)c1ccccc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC000201162639 881383529 /nfs/dbraw/zinc/38/35/29/881383529.db2.gz WKHUJHYUOVTIGP-GFCCVEGCSA-N 1 0 310.370 1.226 20 5 DDBDRO Cc1ocnc1C(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001124375730 859697060 /nfs/dbraw/zinc/69/70/60/859697060.db2.gz NKEAZLYLUCMVFT-UHFFFAOYSA-N 1 0 304.306 1.411 20 5 DDBDRO C[N@@H+]1[C@@H]2C[C@@H](OCCOc3ccc([N+](=O)[O-])cc3)[C@H]1CC(=O)C2 ZINC001224777296 881529348 /nfs/dbraw/zinc/52/93/48/881529348.db2.gz RGBKRGZQSWYYDY-APHBMKBZSA-N 1 0 320.345 1.794 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)ncnc2NCC[NH+]1CCSCC1 ZINC001157043241 863534092 /nfs/dbraw/zinc/53/40/92/863534092.db2.gz HAWQASJDOHALBB-UHFFFAOYSA-N 1 0 319.390 1.999 20 5 DDBDRO CCOC(=O)c1ccnc(NC(=N)SCC[NH3+])c1[N+](=O)[O-] ZINC001157130658 863602727 /nfs/dbraw/zinc/60/27/27/863602727.db2.gz JKCBFKSRAUBKJC-UHFFFAOYSA-N 1 0 313.339 1.205 20 5 DDBDRO CCc1ccc(S(=O)(=O)NCC[C@H](C)[NH2+]C)cc1[N+](=O)[O-] ZINC001329414754 863655016 /nfs/dbraw/zinc/65/50/16/863655016.db2.gz PJOQASNLNGDQSR-JTQLQIEISA-N 1 0 315.395 1.434 20 5 DDBDRO Cc1nc[nH]c1C(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001153820028 864130658 /nfs/dbraw/zinc/13/06/58/864130658.db2.gz IKBGURWKZHVRSW-UHFFFAOYSA-N 1 0 303.322 1.146 20 5 DDBDRO CC(C)CN(CC1CC[NH+](C)CC1)C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC001330280977 864209492 /nfs/dbraw/zinc/20/94/92/864209492.db2.gz ILSBFOIBMOKEEP-UHFFFAOYSA-N 1 0 323.397 1.758 20 5 DDBDRO CC(C)Oc1nc(-n2cc3c(n2)CC[C@@H]([NH3+])C3)ccc1[N+](=O)[O-] ZINC001157985459 864332717 /nfs/dbraw/zinc/33/27/17/864332717.db2.gz TVODNDZFAAMQKH-LLVKDONJSA-N 1 0 317.349 1.779 20 5 DDBDRO O=C(NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccccn1 ZINC001154132384 864434306 /nfs/dbraw/zinc/43/43/06/864434306.db2.gz GYASSDNMGRCRRN-UHFFFAOYSA-N 1 0 314.345 1.900 20 5 DDBDRO COc1cc2ncnc(-n3c(C)cnc3C[NH3+])c2cc1[N+](=O)[O-] ZINC001158164590 864464690 /nfs/dbraw/zinc/46/46/90/864464690.db2.gz NPVUBAMGUULIKO-UHFFFAOYSA-N 1 0 314.305 1.499 20 5 DDBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N2C[C@@H](C)[NH2+][C@@H](C)C2)n1 ZINC001158173779 864469397 /nfs/dbraw/zinc/46/93/97/864469397.db2.gz WFIQDKAHECPQPW-KNVOCYPGSA-N 1 0 317.802 1.947 20 5 DDBDRO C[NH+]1CCC(n2cc(NC(=O)CCC(C)(C)[N+](=O)[O-])cn2)CC1 ZINC001330650762 864510998 /nfs/dbraw/zinc/51/09/98/864510998.db2.gz GHFHQJLLYZZQCC-UHFFFAOYSA-N 1 0 323.397 1.924 20 5 DDBDRO CC[N@@H+]1CCN(c2ncc([N+](=O)[O-])cc2C(=O)OC)C(C)(C)C1 ZINC001158561102 864728662 /nfs/dbraw/zinc/72/86/62/864728662.db2.gz HVUSGBYZTUDFIV-UHFFFAOYSA-N 1 0 322.365 1.697 20 5 DDBDRO C[C@@]1(C[NH3+])CCCN(c2c([N+](=O)[O-])cc[n+]([O-])c2Cl)C1 ZINC001158678223 864805368 /nfs/dbraw/zinc/80/53/68/864805368.db2.gz FCBCARSHTADWIM-LBPRGKRZSA-N 1 0 300.746 1.447 20 5 DDBDRO CC1(C)C[NH2+]C[C@H]1C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001331959374 865462237 /nfs/dbraw/zinc/46/22/37/865462237.db2.gz ZDOXZHVDIFRIBA-AWEZNQCLSA-N 1 0 303.362 1.725 20 5 DDBDRO O=[N+]([O-])c1c(Cl)cc(Cl)nc1N[C@H]1C[NH2+]C[C@@H]1CO ZINC001159677613 865465649 /nfs/dbraw/zinc/46/56/49/865465649.db2.gz LFEDJCJXSFPZKA-VDTYLAMSSA-N 1 0 307.137 1.289 20 5 DDBDRO O=[N+]([O-])c1ccc2nc(Cl)cc(N[C@H]3C[NH2+]C[C@@H]3CO)c2c1 ZINC001159683324 865469241 /nfs/dbraw/zinc/46/92/41/865469241.db2.gz VCHGQQBBTUSGIU-OQPBUACISA-N 1 0 322.752 1.789 20 5 DDBDRO C[NH+](C)CC(C)(C)C1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC001332097878 865575456 /nfs/dbraw/zinc/57/54/56/865575456.db2.gz SQPBSKWQXZTOEC-UHFFFAOYSA-N 1 0 323.397 1.758 20 5 DDBDRO COC(=O)c1ccnc(NCc2ccccc2C[NH3+])c1[N+](=O)[O-] ZINC001160907428 866180752 /nfs/dbraw/zinc/18/07/52/866180752.db2.gz QFPXXLOCRZFMLG-UHFFFAOYSA-N 1 0 316.317 1.847 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)CN(C[C@H](O)CC1(O)CCOCC1)C2 ZINC001333020105 866345701 /nfs/dbraw/zinc/34/57/01/866345701.db2.gz VZHWTGZVFSFECG-OAHLLOKOSA-N 1 0 322.361 1.203 20 5 DDBDRO CC(C)(C)[NH+]1CCN(C(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC001319965846 866406530 /nfs/dbraw/zinc/40/65/30/866406530.db2.gz KFKOSHYQHNHWJM-UHFFFAOYSA-N 1 0 307.354 1.360 20 5 DDBDRO CN1CC[NH+](CCCNc2ccc3ncc([N+](=O)[O-])n3c2)CC1 ZINC001161708453 866919788 /nfs/dbraw/zinc/91/97/88/866919788.db2.gz KPDKDRMIRXVNSM-UHFFFAOYSA-N 1 0 318.381 1.292 20 5 DDBDRO COC(=O)c1ccc(C[NH3+])n1-c1cc(OC)c([N+](=O)[O-])cn1 ZINC001161934026 867112165 /nfs/dbraw/zinc/11/21/65/867112165.db2.gz GOQFVPOWOKBSMD-UHFFFAOYSA-N 1 0 306.278 1.034 20 5 DDBDRO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001324694477 867456098 /nfs/dbraw/zinc/45/60/98/867456098.db2.gz WXQUPNVSIHNCKJ-RRFJBIMHSA-N 1 0 321.377 1.617 20 5 DDBDRO COc1nc(SC)nc(N[C@@H]2CCC[C@@H]([NH3+])C2)c1[N+](=O)[O-] ZINC001162393476 867509050 /nfs/dbraw/zinc/50/90/50/867509050.db2.gz VWULPYJOJLAQKN-HTQZYQBOSA-N 1 0 313.383 1.797 20 5 DDBDRO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cn3)C[C@H]2C1 ZINC001334794521 867834293 /nfs/dbraw/zinc/83/42/93/867834293.db2.gz ALMDUVLAGDGJHQ-JHJVBQTASA-N 1 0 318.377 1.792 20 5 DDBDRO O=[N+]([O-])c1c[nH]c2nc(N[C@H]3COCCC34C[NH2+]C4)ccc12 ZINC001163067890 868052964 /nfs/dbraw/zinc/05/29/64/868052964.db2.gz DFADTNYGZAMQIE-NSHDSACASA-N 1 0 303.322 1.262 20 5 DDBDRO CCOc1cc([N+](=O)[O-])ccc1N[C@@H]1COCCC12C[NH2+]C2 ZINC001163072513 868054987 /nfs/dbraw/zinc/05/49/87/868054987.db2.gz JFXCXRDWCVLUQI-CQSZACIVSA-N 1 0 307.350 1.784 20 5 DDBDRO Nc1cc([N+](=O)[O-])cnc1N1CCC(C2=CC=C(N)C[NH2+]2)CC1 ZINC001163134470 868144518 /nfs/dbraw/zinc/14/45/18/868144518.db2.gz WLECLFKVHBHKHM-UHFFFAOYSA-N 1 0 316.365 1.118 20 5 DDBDRO COC(=O)c1ccnc(N[C@H](C[NH3+])c2ccccc2)c1[N+](=O)[O-] ZINC001163294699 868319355 /nfs/dbraw/zinc/31/93/55/868319355.db2.gz YRNRPOOSXYXKTA-GFCCVEGCSA-N 1 0 316.317 1.888 20 5 DDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])NC[C@@H]1CCCCC[NH2+]1 ZINC001335515929 868354653 /nfs/dbraw/zinc/35/46/53/868354653.db2.gz XQEILSIZWCPHIF-AWEZNQCLSA-N 1 0 320.393 1.969 20 5 DDBDRO O=C(NCCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1cnco1 ZINC001163528798 868511019 /nfs/dbraw/zinc/51/10/19/868511019.db2.gz JTXPDLCPPFWYKJ-UHFFFAOYSA-N 1 0 304.306 1.493 20 5 DDBDRO COc1cc2ncnc(N(C)CCC[NH+](C)C)c2cc1[N+](=O)[O-] ZINC001163595599 868557396 /nfs/dbraw/zinc/55/73/96/868557396.db2.gz KOYUNDXOUHLSGG-UHFFFAOYSA-N 1 0 319.365 1.935 20 5 DDBDRO C[C@H]1CC[C@@H](C[NH3+])N(c2cc([N+](=O)[O-])cc(Cl)[n+]2[O-])C1 ZINC001164073639 868925438 /nfs/dbraw/zinc/92/54/38/868925438.db2.gz NKJGMDKQNIRWOE-IUCAKERBSA-N 1 0 300.746 1.445 20 5 DDBDRO Cc1c(Cl)[nH]c(-c2ccc([N+](=O)[O-])cc2)nc1=NOCC[NH3+] ZINC001164423912 869187126 /nfs/dbraw/zinc/18/71/26/869187126.db2.gz NFHJWUAKIZSIHT-UHFFFAOYSA-N 1 0 323.740 1.738 20 5 DDBDRO COC(=O)c1ccnc(N2CCC[C@H]2C[NH+](C)C)c1[N+](=O)[O-] ZINC001165078436 869365477 /nfs/dbraw/zinc/36/54/77/869365477.db2.gz XFBGHDMNGAOPPG-JTQLQIEISA-N 1 0 308.338 1.307 20 5 DDBDRO C[NH+](C)C[C@@H]1CCCN1c1c(Cl)[n+]([O-])ccc1[N+](=O)[O-] ZINC001165077471 869365355 /nfs/dbraw/zinc/36/53/55/869365355.db2.gz ONFIOQMPVDAXTR-VIFPVBQESA-N 1 0 300.746 1.412 20 5 DDBDRO [NH3+][C@H]1CN(C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)C[C@H]1F ZINC001165116961 869385688 /nfs/dbraw/zinc/38/56/88/869385688.db2.gz LIQYIWXYVPGDBS-SFYZADRCSA-N 1 0 310.663 1.674 20 5 DDBDRO C[C@H]1CN(C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)CC[NH2+]1 ZINC001165187070 869419484 /nfs/dbraw/zinc/41/94/84/869419484.db2.gz ICYBEFHRUIYHMR-ZETCQYMHSA-N 1 0 306.700 1.986 20 5 DDBDRO O=[N+]([O-])c1c(Cl)ccnc1N1CCO[C@@H]2C[NH2+]CC[C@@H]2C1 ZINC001165287085 869497623 /nfs/dbraw/zinc/49/76/23/869497623.db2.gz NQQGZXFZVDTDQG-MWLCHTKSSA-N 1 0 312.757 1.458 20 5 DDBDRO COc1nc(N2CCCC[C@H]2C2CC[NH2+]CC2)ncc1[N+](=O)[O-] ZINC001165320727 869516704 /nfs/dbraw/zinc/51/67/04/869516704.db2.gz SFUPTEDBWVHPGF-LBPRGKRZSA-N 1 0 321.381 1.752 20 5 DDBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001165325051 869518673 /nfs/dbraw/zinc/51/86/73/869518673.db2.gz WEAWWYQGZHRJIM-OAHLLOKOSA-N 1 0 320.393 1.895 20 5 DDBDRO CCOC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1O[C@@H](C)C[NH+](C)C ZINC001226310753 882342297 /nfs/dbraw/zinc/34/22/97/882342297.db2.gz QJHKBRGXVGJDAJ-QMMMGPOBSA-N 1 0 313.310 1.201 20 5 DDBDRO CC[C@H](C)NC(=O)[C@@H](C)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001338421329 869971760 /nfs/dbraw/zinc/97/17/60/869971760.db2.gz BZAVBYXQDHWIJG-WDMOLILDSA-N 1 0 309.366 1.521 20 5 DDBDRO O=C([O-])C[NH+]1CCC([NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001339169240 870384420 /nfs/dbraw/zinc/38/44/20/870384420.db2.gz UOFWAWCGDUAZNS-UHFFFAOYSA-N 1 0 307.350 1.276 20 5 DDBDRO COc1cccc(C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC001339177416 870387716 /nfs/dbraw/zinc/38/77/16/870387716.db2.gz YXOIZOKHOHPASY-LBPRGKRZSA-N 1 0 319.361 1.914 20 5 DDBDRO COC(=O)c1ccnc(N[C@@H]2CC[C@@H]3C[N@H+](C)C[C@@H]23)c1[N+](=O)[O-] ZINC001339998977 870830440 /nfs/dbraw/zinc/83/04/40/870830440.db2.gz LEMQLKCQLXUNRB-YUSALJHKSA-N 1 0 320.349 1.529 20 5 DDBDRO CN(CC(C)(C)C[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001304682564 871235741 /nfs/dbraw/zinc/23/57/41/871235741.db2.gz KCKNDXJSYSYYSB-UHFFFAOYSA-N 1 0 308.382 1.837 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H](C)[C@H]1CN(C)CCN1C ZINC001308948984 871536505 /nfs/dbraw/zinc/53/65/05/871536505.db2.gz UWLVGWGTOVMINN-RHSMWYFYSA-N 1 0 320.437 1.936 20 5 DDBDRO O=C(N[C@@H]1COC2(C[NH2+]C2)C1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC001341366705 871622170 /nfs/dbraw/zinc/62/21/70/871622170.db2.gz GGVMFMVVNDYECP-VIFPVBQESA-N 1 0 311.725 1.109 20 5 DDBDRO CN(CC(=O)N[C@H]1C[NH2+]CC1(C)C)c1ccccc1[N+](=O)[O-] ZINC001341467774 871670495 /nfs/dbraw/zinc/67/04/95/871670495.db2.gz TWAKOFDFGGIIBH-ZDUSSCGKSA-N 1 0 306.366 1.145 20 5 DDBDRO Cc1cncc([N+](=O)[O-])c1NCC1([NH+]2CCCC2)CCOCC1 ZINC001341765421 871814279 /nfs/dbraw/zinc/81/42/79/871814279.db2.gz BUCDYDGDJPHSPQ-UHFFFAOYSA-N 1 0 320.393 1.777 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N(C)CC2CC[NH2+]CC2)c1 ZINC001342010581 871950879 /nfs/dbraw/zinc/95/08/79/871950879.db2.gz JPRNJOILSMZGDG-UHFFFAOYSA-N 1 0 307.350 1.675 20 5 DDBDRO C[C@@H](CNC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F)c1ccccc1[N+](=O)[O-] ZINC001342075217 871992284 /nfs/dbraw/zinc/99/22/84/871992284.db2.gz UUFHXQCTPAIFFR-PEXQALLHSA-N 1 0 313.304 1.655 20 5 DDBDRO Nc1cc(O[C@@H](C[N+](=O)[O-])c2ccc3c(c2)OCO3)cc[nH+]1 ZINC001226653787 882570084 /nfs/dbraw/zinc/57/00/84/882570084.db2.gz POBNLMIBUOKGOH-ZDUSSCGKSA-N 1 0 303.274 1.789 20 5 DDBDRO C[C@@H](CNC(=O)C[NH2+]C[C@@H]1CCCO1)c1ccccc1[N+](=O)[O-] ZINC001342831681 872405433 /nfs/dbraw/zinc/40/54/33/872405433.db2.gz HQZXVIXHYLNQKL-STQMWFEESA-N 1 0 321.377 1.583 20 5 DDBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001342944936 872446301 /nfs/dbraw/zinc/44/63/01/872446301.db2.gz YXNHKXCGWNZOAA-ZWKOPEQDSA-N 1 0 307.375 1.696 20 5 DDBDRO COc1c(O)ccc(C[NH2+]CCc2cncc(C)n2)c1[N+](=O)[O-] ZINC001206692158 872512706 /nfs/dbraw/zinc/51/27/06/872512706.db2.gz YPWDZZNVLKLTTD-UHFFFAOYSA-N 1 0 318.333 1.740 20 5 DDBDRO O=C(N[C@@H]1C[NH2+]CC12CC2)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001343641236 872698028 /nfs/dbraw/zinc/69/80/28/872698028.db2.gz NYPLPZVVHTZETM-MELADBBJSA-N 1 0 301.346 1.567 20 5 DDBDRO C[C@H](NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)C(C)(C)C[NH+](C)C ZINC001344111697 872858267 /nfs/dbraw/zinc/85/82/67/872858267.db2.gz NTRWKWBIYMFHTR-SMDDNHRTSA-N 1 0 323.393 1.721 20 5 DDBDRO CC(C)(C(=O)N1CC[C@@]2(C1)CCCC[NH2+]2)n1cc([N+](=O)[O-])cn1 ZINC001345138714 873267931 /nfs/dbraw/zinc/26/79/31/873267931.db2.gz HZFYEDNAQPGUMO-OAHLLOKOSA-N 1 0 321.381 1.271 20 5 DDBDRO CCOC(OCC)[C@H](C)[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC001207870070 873628212 /nfs/dbraw/zinc/62/82/12/873628212.db2.gz ZMRYZOBWOGUYOP-UNXYVOJBSA-N 1 0 312.370 1.872 20 5 DDBDRO CN(CC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)CC(F)F ZINC001346213926 873649998 /nfs/dbraw/zinc/64/99/98/873649998.db2.gz RIWQMVCGQPPJTN-LBPRGKRZSA-N 1 0 303.309 1.415 20 5 DDBDRO O=C(N[C@@H]1C[NH+]2CCC1CC2)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC001347292503 874087184 /nfs/dbraw/zinc/08/71/84/874087184.db2.gz PBALRSWWLLBTSQ-LLVKDONJSA-N 1 0 319.317 1.148 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc2c(c1)CCC(=O)C2 ZINC001227051949 882796498 /nfs/dbraw/zinc/79/64/98/882796498.db2.gz UAZUQWRYTVXMBK-OAHLLOKOSA-N 1 0 306.382 1.107 20 5 DDBDRO [NH3+]CCCOCCNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001351547051 876317401 /nfs/dbraw/zinc/31/74/01/876317401.db2.gz XNNBPOAQQIUMDR-UHFFFAOYSA-N 1 0 322.365 1.028 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H](OC[C@@H]1C[C@H]3CC[NH2+]C[C@@H]3O1)C2 ZINC001217788171 877325014 /nfs/dbraw/zinc/32/50/14/877325014.db2.gz GZLJKVMEHCDJPM-VZEFYGNVSA-N 1 0 318.373 1.846 20 5 DDBDRO O=C(N[C@]12CCC[C@H]1C[NH2+]C2)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001355730100 878694657 /nfs/dbraw/zinc/69/46/57/878694657.db2.gz MLIBLPCJNFTSQM-CRNXPOROSA-N 1 0 315.373 1.957 20 5 DDBDRO CCOc1ccc(C(=O)N[C@H]2C[NH2+]CC23CC3)cc1[N+](=O)[O-] ZINC001356473211 879071313 /nfs/dbraw/zinc/07/13/13/879071313.db2.gz NONWMSYEFVMLIQ-ZDUSSCGKSA-N 1 0 305.334 1.475 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1COC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001223536188 880996421 /nfs/dbraw/zinc/99/64/21/880996421.db2.gz UEKHTHOFBFLFNR-GFCCVEGCSA-N 1 0 311.358 1.404 20 5 DDBDRO COC(=O)c1cc(O[C@H](C)C[NH+](C)C)c(F)cc1[N+](=O)[O-] ZINC001229944453 884243444 /nfs/dbraw/zinc/24/34/44/884243444.db2.gz YPYCHBHONGMMNP-MRVPVSSYSA-N 1 0 300.286 1.849 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001229962353 884252081 /nfs/dbraw/zinc/25/20/81/884252081.db2.gz XBSHYHGYDZRFHN-SECBINFHSA-N 1 0 317.749 1.611 20 5 DDBDRO CCC[N@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1cccnc1 ZINC001230763170 884846383 /nfs/dbraw/zinc/84/63/83/884846383.db2.gz SRISCYGWKOBDGW-HUUCEWRRSA-N 1 0 320.393 1.465 20 5 DDBDRO O=C1CCNC[C@@H]1[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001246297299 892519086 /nfs/dbraw/zinc/51/90/86/892519086.db2.gz YZHHXQSTXOOHKA-HIFRSBDPSA-N 1 0 303.362 1.363 20 5 DDBDRO CNC(=O)[C@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254468213 896453660 /nfs/dbraw/zinc/45/36/60/896453660.db2.gz IOWLKHXAUNHXAK-NSHDSACASA-N 1 0 306.366 1.288 20 5 DDBDRO COC(=O)C1C[NH+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254473531 896456686 /nfs/dbraw/zinc/45/66/86/896456686.db2.gz DRIOMJZLEASFGM-UHFFFAOYSA-N 1 0 319.361 1.668 20 5 DDBDRO CC(C)C(=O)N1CC[C@H]([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254586599 896517871 /nfs/dbraw/zinc/51/78/71/896517871.db2.gz QUOWUTRIHPUMSY-GJZGRUSLSA-N 1 0 317.389 1.909 20 5 DDBDRO COc1cc(N2CCC([NH2+]CC(C)(C)O)CC2)ccc1[N+](=O)[O-] ZINC001256084318 897278780 /nfs/dbraw/zinc/27/87/80/897278780.db2.gz ZHPCRDICKPQZKU-UHFFFAOYSA-N 1 0 323.393 1.933 20 5 DDBDRO O=C(NCC[NH2+]CC[N+](=O)[O-])c1ccccc1C(F)(F)F ZINC001262490439 900195266 /nfs/dbraw/zinc/19/52/66/900195266.db2.gz WKKWTPBWMCXZIE-UHFFFAOYSA-N 1 0 305.256 1.302 20 5 DDBDRO C[C@@H]1C[NH2+][C@@H](C)[C@H](C)N1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC001263202033 900531437 /nfs/dbraw/zinc/53/14/37/900531437.db2.gz QGIIAOGPNKBQOE-WOPDTQHZSA-N 1 0 307.350 1.571 20 5 DDBDRO CCCCCC(=O)N[C@H]1C[C@H]([NH2+]Cc2c([N+](=O)[O-])ncn2C)C1 ZINC001265466511 902044850 /nfs/dbraw/zinc/04/48/50/902044850.db2.gz XUAFUELFKQNXIY-HAQNSBGRSA-N 1 0 323.397 1.645 20 5 DDBDRO C[C@@H]1C[C@H](NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC[NH2+]1 ZINC000278284368 214066879 /nfs/dbraw/zinc/06/68/79/214066879.db2.gz QGOJKWJYNUSYAN-NXEZZACHSA-N 1 0 311.313 1.369 20 5 DDBDRO COc1cc(C(=O)N[C@H]2CC[NH2+][C@@H](C)C2)cc([N+](=O)[O-])c1OC ZINC000278314974 214084920 /nfs/dbraw/zinc/08/49/20/214084920.db2.gz UHKUCJHXIQMMGY-ONGXEEELSA-N 1 0 323.349 1.482 20 5 DDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000449201336 230588251 /nfs/dbraw/zinc/58/82/51/230588251.db2.gz IMHREPYVZUDMPX-LSDHHAIUSA-N 1 0 317.389 1.985 20 5 DDBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3C[C@H](O)[C@@H](O)C3)s2)cc1 ZINC000278435395 214151290 /nfs/dbraw/zinc/15/12/90/214151290.db2.gz UQKGWDYLRUQTNG-KBPBESRZSA-N 1 0 320.370 1.861 20 5 DDBDRO CO[C@@H]1C[C@@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000451475445 231107139 /nfs/dbraw/zinc/10/71/39/231107139.db2.gz CNVVDTUHSYRUNS-BPLDGKMQSA-N 1 0 324.377 1.738 20 5 DDBDRO CC[C@]1(O)CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000495209185 529442235 /nfs/dbraw/zinc/44/22/35/529442235.db2.gz APFPIHFKAFOCKW-WFASDCNBSA-N 1 0 310.350 1.181 20 5 DDBDRO CC(C)[N@@H+](C)C[C@H](C)NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000358133232 299085296 /nfs/dbraw/zinc/08/52/96/299085296.db2.gz PZYMWISOBPTRID-NSHDSACASA-N 1 0 311.386 1.371 20 5 DDBDRO C[N@H+](CCCCNC(=O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000457168358 529882962 /nfs/dbraw/zinc/88/29/62/529882962.db2.gz DSRZEYJSQPAFLW-UHFFFAOYSA-N 1 0 321.377 1.964 20 5 DDBDRO C[N@H+](CCCCNC(=O)c1c(N)cccc1[N+](=O)[O-])C1CC1 ZINC000457175416 529883416 /nfs/dbraw/zinc/88/34/16/529883416.db2.gz XWJJOYGPKCYKDJ-UHFFFAOYSA-N 1 0 306.366 1.781 20 5 DDBDRO CNC(=O)[C@H](C)[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000426341283 529917647 /nfs/dbraw/zinc/91/76/47/529917647.db2.gz AVJRMKKUFWMPIA-ZJUUUORDSA-N 1 0 308.338 1.036 20 5 DDBDRO C[NH2+]C[C@@H](C)CNC(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000417201581 529983315 /nfs/dbraw/zinc/98/33/15/529983315.db2.gz WQZBVYUNNOOKFX-SNVBAGLBSA-N 1 0 310.354 1.258 20 5 DDBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000299354234 530057302 /nfs/dbraw/zinc/05/73/02/530057302.db2.gz AOZNWOHJBHBWPG-SNVBAGLBSA-N 1 0 311.313 1.323 20 5 DDBDRO C[C@H]1[NH2+]CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000262843952 186312113 /nfs/dbraw/zinc/31/21/13/186312113.db2.gz YBCAWQWSRYSDHL-NEPJUHHUSA-N 1 0 306.366 1.606 20 5 DDBDRO CC[NH2+]CCCNS(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000036299408 352295085 /nfs/dbraw/zinc/29/50/85/352295085.db2.gz OVXHSWWPCZJWJA-UHFFFAOYSA-N 1 0 315.395 1.490 20 5 DDBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](CCn3cccn3)C2)nc1 ZINC000072665273 191211461 /nfs/dbraw/zinc/21/14/61/191211461.db2.gz PRXSNYSNMXZKBT-GFCCVEGCSA-N 1 0 302.338 1.373 20 5 DDBDRO CC[N@@H+]1CCC[C@H](CNC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000058274231 352841213 /nfs/dbraw/zinc/84/12/13/352841213.db2.gz SIHCLXMCGFJCCX-GFCCVEGCSA-N 1 0 309.370 1.030 20 5 DDBDRO CC(C)[C@@H](CNc1ccncc1[N+](=O)[O-])[NH+]1CCN(C)CC1 ZINC000064620260 352940542 /nfs/dbraw/zinc/94/05/42/352940542.db2.gz ZFZJIULWDLHROF-CQSZACIVSA-N 1 0 307.398 1.674 20 5 DDBDRO CC[N@@H+]1CCC[C@H](CNC(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000069137814 353147441 /nfs/dbraw/zinc/14/74/41/353147441.db2.gz VXMYXAHCMPQJNL-CYBMUJFWSA-N 1 0 305.378 1.985 20 5 DDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1csc(CC[NH3+])n1 ZINC000173666103 198238071 /nfs/dbraw/zinc/23/80/71/198238071.db2.gz PUHNGCUWISSFSA-UHFFFAOYSA-N 1 0 320.374 1.825 20 5 DDBDRO O=C1C[C@@]2(CN1)CCC[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C2 ZINC000072829658 353218590 /nfs/dbraw/zinc/21/85/90/353218590.db2.gz CSMAPWHZDNIVAB-MRXNPFEDSA-N 1 0 319.361 1.576 20 5 DDBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000075625223 353371982 /nfs/dbraw/zinc/37/19/82/353371982.db2.gz JHGMIESSBOBYFC-CYBMUJFWSA-N 1 0 320.393 1.362 20 5 DDBDRO C[N@@H+](Cc1ccccc1Cl)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174656068 198366608 /nfs/dbraw/zinc/36/66/08/198366608.db2.gz GUFHNYOGXLDHRP-CYBMUJFWSA-N 1 0 324.768 1.938 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1NCC1([NH+]2CCCCC2)CCOCC1 ZINC000076688351 353432716 /nfs/dbraw/zinc/43/27/16/353432716.db2.gz GTBYMLHOIDJAFC-UHFFFAOYSA-N 1 0 323.397 1.775 20 5 DDBDRO COC1CC[NH+](CCNC(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000079681015 353572955 /nfs/dbraw/zinc/57/29/55/353572955.db2.gz SUIBMJKOQYWUSH-UHFFFAOYSA-N 1 0 321.377 1.364 20 5 DDBDRO CCCN(C(=O)Cn1cc([N+](=O)[O-])nc1C)C1CC[NH2+]CC1 ZINC000236807029 202018353 /nfs/dbraw/zinc/01/83/53/202018353.db2.gz BSZBUZQFNVVUAP-UHFFFAOYSA-N 1 0 309.370 1.090 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@H]([NH3+])C[C@H]1C ZINC000228341745 354322620 /nfs/dbraw/zinc/32/26/20/354322620.db2.gz DIWPTWGFPOLLPZ-MNOVXSKESA-N 1 0 313.379 1.404 20 5 DDBDRO CC[C@@H](C)[C@H]([NH3+])C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000320278151 354526609 /nfs/dbraw/zinc/52/66/09/354526609.db2.gz VSEUGRUFITZYBJ-RISCZKNCSA-N 1 0 321.381 1.012 20 5 DDBDRO COc1ccc(S(=O)(=O)N[C@H](C)C[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000320451114 354527336 /nfs/dbraw/zinc/52/73/36/354527336.db2.gz CIIKCJRNCKDAQT-RKDXNWHRSA-N 1 0 317.367 1.008 20 5 DDBDRO C[C@@]1(C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)CCC[NH2+]1 ZINC000321990731 354535038 /nfs/dbraw/zinc/53/50/38/354535038.db2.gz LJJMKEHBXMDTOS-INIZCTEOSA-N 1 0 318.377 1.386 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@@H]3CC[N@H+](C)C[C@@H]3C2)c1 ZINC000323787884 354541742 /nfs/dbraw/zinc/54/17/42/354541742.db2.gz CKJYBQODNNIXBW-QWHCGFSZSA-N 1 0 319.361 1.769 20 5 DDBDRO CC[N@H+](C)C[C@@H](O)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000319518173 354521626 /nfs/dbraw/zinc/52/16/26/354521626.db2.gz JGLLNJUTMKWCOV-CYBMUJFWSA-N 1 0 305.338 1.166 20 5 DDBDRO COc1cc(NC[C@@H]2C[N@H+](C)CCN2C)c([N+](=O)[O-])cc1C ZINC000320040905 354524594 /nfs/dbraw/zinc/52/45/94/354524594.db2.gz CNRKKNFNISJMAG-GFCCVEGCSA-N 1 0 308.382 1.570 20 5 DDBDRO C[C@@H]1CCCN(CC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]1CC[NH3+] ZINC000404307953 354676053 /nfs/dbraw/zinc/67/60/53/354676053.db2.gz IYDBJMZNRLOARJ-OCCSQVGLSA-N 1 0 320.393 1.983 20 5 DDBDRO O=C(/C=C/c1cccc([N+](=O)[O-])c1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000493617477 234879217 /nfs/dbraw/zinc/87/92/17/234879217.db2.gz AXQFRQNDUSZPHG-SZTZYQKNSA-N 1 0 301.346 1.961 20 5 DDBDRO CC[N@H+](Cc1cc(C(=O)OC)ccc1[N+](=O)[O-])CC(C)(C)O ZINC000589500108 354996723 /nfs/dbraw/zinc/99/67/23/354996723.db2.gz XFFWMYGEGFLHOR-UHFFFAOYSA-N 1 0 310.350 1.974 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(CN2CCC[C@H]([NH+](C)C)C2)c1 ZINC000589497169 354996782 /nfs/dbraw/zinc/99/67/82/354996782.db2.gz WELNLYITRPQUKG-AWEZNQCLSA-N 1 0 321.377 1.907 20 5 DDBDRO Cc1nn(CCC(=O)N2CC[C@@H]([NH+](C)C)[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000590402888 355085501 /nfs/dbraw/zinc/08/55/01/355085501.db2.gz KGESMIYIAPGYRC-DGCLKSJQSA-N 1 0 323.397 1.349 20 5 DDBDRO CC(C)c1ccc(C(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000590554670 355112664 /nfs/dbraw/zinc/11/26/64/355112664.db2.gz YTNQJRALZHTWSQ-GJZGRUSLSA-N 1 0 321.377 1.465 20 5 DDBDRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000590444720 355098194 /nfs/dbraw/zinc/09/81/94/355098194.db2.gz KEKZHHWPPQVFME-BONVTDFDSA-N 1 0 314.345 1.852 20 5 DDBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000291227837 291063553 /nfs/dbraw/zinc/06/35/53/291063553.db2.gz WLLPQRIILGESLJ-WDEREUQCSA-N 1 0 319.365 1.152 20 5 DDBDRO O=C(NCC[NH2+]C1CC1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000591359228 355300313 /nfs/dbraw/zinc/30/03/13/355300313.db2.gz XBFOPDVJTBYSMR-UHFFFAOYSA-N 1 0 320.349 1.119 20 5 DDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000591360333 355301121 /nfs/dbraw/zinc/30/11/21/355301121.db2.gz LLUKJILIRAEJGA-CYBMUJFWSA-N 1 0 306.366 1.878 20 5 DDBDRO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)NC1C[NH2+]C1 ZINC000591306400 355285878 /nfs/dbraw/zinc/28/58/78/355285878.db2.gz LHGFKTLQXIDBJE-UHFFFAOYSA-N 1 0 315.127 1.451 20 5 DDBDRO O=C(CC[NH2+]C[C@@H]1CCCC(=O)N1)Nc1ccccc1[N+](=O)[O-] ZINC000591764176 355380087 /nfs/dbraw/zinc/38/00/87/355380087.db2.gz VJSFHWUVJMTDKX-NSHDSACASA-N 1 0 320.349 1.182 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)c1 ZINC000591984430 355453065 /nfs/dbraw/zinc/45/30/65/355453065.db2.gz GQXMBRWEZLZTAF-LBPRGKRZSA-N 1 0 306.366 1.459 20 5 DDBDRO COc1ccc(CC(=O)N[C@H]2CC[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC000592332286 355560980 /nfs/dbraw/zinc/56/09/80/355560980.db2.gz UXDCJCMKAWIXJZ-PWSUYJOCSA-N 1 0 307.350 1.260 20 5 DDBDRO [NH3+]C1CCC(NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CC1 ZINC000592292629 355554213 /nfs/dbraw/zinc/55/42/13/355554213.db2.gz UAQNHMPYMIOXOC-UHFFFAOYSA-N 1 0 321.333 1.366 20 5 DDBDRO CC[C@H]1CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC[C@@H]1[NH3+] ZINC000592486137 355596177 /nfs/dbraw/zinc/59/61/77/355596177.db2.gz SLZRBMANGZMYBE-JSGCOSHPSA-N 1 0 320.393 1.901 20 5 DDBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000592501898 355603770 /nfs/dbraw/zinc/60/37/70/355603770.db2.gz PVUNLCNPNGMFAH-FICVDOATSA-N 1 0 303.362 1.797 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000592428632 355580087 /nfs/dbraw/zinc/58/00/87/355580087.db2.gz JQPOTQULWKLUMS-ABAIWWIYSA-N 1 0 309.366 1.542 20 5 DDBDRO C[C@H](CCO)[N@H+](C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000593108101 355800902 /nfs/dbraw/zinc/80/09/02/355800902.db2.gz MZZHQWYAIUEPIB-LLVKDONJSA-N 1 0 323.349 1.596 20 5 DDBDRO CN(CC[NH+]1CCCCC1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000593112614 355802948 /nfs/dbraw/zinc/80/29/48/355802948.db2.gz RBYRKJNWIZIIBH-UHFFFAOYSA-N 1 0 320.393 1.611 20 5 DDBDRO C[C@@H]1C[N@H+](C)[C@H](C)[C@H](C)N1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000593186968 355819876 /nfs/dbraw/zinc/81/98/76/355819876.db2.gz BMIJCOFGDXPBLU-UPJWGTAASA-N 1 0 321.377 1.913 20 5 DDBDRO C[C@@H]1C[N@H+](C)[C@H](C)[C@@H](C)N1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000593187543 355820103 /nfs/dbraw/zinc/82/01/03/355820103.db2.gz LQYORTDHMSBWMH-JHJVBQTASA-N 1 0 321.377 1.913 20 5 DDBDRO O=C(Cc1ccc(F)cc1[N+](=O)[O-])NCC[NH+]1CCCCC1 ZINC000593408168 355876207 /nfs/dbraw/zinc/87/62/07/355876207.db2.gz RWSANOAIDIJDML-UHFFFAOYSA-N 1 0 309.341 1.879 20 5 DDBDRO COCCN1CCN(C(=O)c2ccc([N+](=O)[O-])o2)C(C)(C)C1 ZINC000593338992 355857567 /nfs/dbraw/zinc/85/75/67/355857567.db2.gz MEFBOCYIBFVVEA-UHFFFAOYSA-N 1 0 311.338 1.371 20 5 DDBDRO C[NH+](C)C[C@H]1CCCN1C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593448896 355888219 /nfs/dbraw/zinc/88/82/19/355888219.db2.gz QSLCCTRXGCSRJR-CYBMUJFWSA-N 1 0 309.341 1.829 20 5 DDBDRO C[C@@H]1CN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])C[C@H](C)[N@H+]1C ZINC000593731626 355978926 /nfs/dbraw/zinc/97/89/26/355978926.db2.gz FQDGPWCLFZFIJT-PHIMTYICSA-N 1 0 309.341 1.827 20 5 DDBDRO CCO[C@@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@H]1C[NH3+] ZINC000593737333 355982174 /nfs/dbraw/zinc/98/21/74/355982174.db2.gz WRULADYVWOFYGR-QMTHXVAHSA-N 1 0 320.349 1.532 20 5 DDBDRO Cc1ccc([C@H](C)NC(=O)[C@]23C[NH2+]C[C@H]2COC3)cc1[N+](=O)[O-] ZINC000593905946 356051685 /nfs/dbraw/zinc/05/16/85/356051685.db2.gz PJPKIYOMLWFISG-RBOXIYTFSA-N 1 0 319.361 1.316 20 5 DDBDRO Cc1ccc([C@@H](C)NC(=O)[C@]23C[NH2+]C[C@H]2COC3)cc1[N+](=O)[O-] ZINC000593905945 356051751 /nfs/dbraw/zinc/05/17/51/356051751.db2.gz PJPKIYOMLWFISG-FFSVYQOJSA-N 1 0 319.361 1.316 20 5 DDBDRO C[NH+](C)CC[C@@H](N)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000593907393 356053447 /nfs/dbraw/zinc/05/34/47/356053447.db2.gz RDHBXPPPAXNOAJ-OAHLLOKOSA-N 1 0 320.393 1.365 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000593914861 356057435 /nfs/dbraw/zinc/05/74/35/356057435.db2.gz OCSVLLIHXICEAC-NHYWBVRUSA-N 1 0 304.350 1.499 20 5 DDBDRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2C(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000593919073 356060478 /nfs/dbraw/zinc/06/04/78/356060478.db2.gz NMMJDDGWJATEJY-LERXQTSPSA-N 1 0 322.365 1.424 20 5 DDBDRO CNc1ccc(C(=O)N[C@@H](C[NH3+])C(F)(F)F)cc1[N+](=O)[O-] ZINC000594450979 356221919 /nfs/dbraw/zinc/22/19/19/356221919.db2.gz AKKKVJYHOOTNAI-VIFPVBQESA-N 1 0 306.244 1.256 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CCc1ccoc1 ZINC000594733592 356300617 /nfs/dbraw/zinc/30/06/17/356300617.db2.gz ZAHVRRDIFYJARL-CYBMUJFWSA-N 1 0 306.318 1.760 20 5 DDBDRO CC[NH+](CC)CCCNS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594743986 356304866 /nfs/dbraw/zinc/30/48/66/356304866.db2.gz DZSVBXKYJYQDQD-UHFFFAOYSA-N 1 0 316.383 1.000 20 5 DDBDRO O=C1NCC[C@@H]1[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000595054270 356376657 /nfs/dbraw/zinc/37/66/57/356376657.db2.gz OTRYKCALMVFXKM-UBHSHLNASA-N 1 0 303.362 1.784 20 5 DDBDRO C[C@H](Cn1cncn1)[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000595049891 356376870 /nfs/dbraw/zinc/37/68/70/356376870.db2.gz KHRWJTLVGYFRQO-LLVKDONJSA-N 1 0 314.349 1.888 20 5 DDBDRO CCN(C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C)C1 ZINC000595102947 356382616 /nfs/dbraw/zinc/38/26/16/356382616.db2.gz KSLSSVLEDBGOJJ-CYBMUJFWSA-N 1 0 320.349 1.086 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC1([NH3+])CCCC1 ZINC000595119531 356385480 /nfs/dbraw/zinc/38/54/80/356385480.db2.gz FCRDRGKAZDEKNP-UHFFFAOYSA-N 1 0 313.379 1.453 20 5 DDBDRO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000595222483 356411613 /nfs/dbraw/zinc/41/16/13/356411613.db2.gz JFSQMNXPDLULLD-LBPRGKRZSA-N 1 0 306.366 1.775 20 5 DDBDRO C[NH2+]C[C@@H](C)NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000595227787 356412712 /nfs/dbraw/zinc/41/27/12/356412712.db2.gz JAVHZZIWQPBYDA-SSDOTTSWSA-N 1 0 318.280 1.926 20 5 DDBDRO CCN1CC[C@@H]([NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1=O ZINC000595484389 356512874 /nfs/dbraw/zinc/51/28/74/356512874.db2.gz ZTRPCCZFUUWCTR-GFCCVEGCSA-N 1 0 307.354 1.049 20 5 DDBDRO CCc1n[nH]c(C(=O)N[C@H](C)C2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000618214249 363515706 /nfs/dbraw/zinc/51/57/06/363515706.db2.gz YKVPPNLFMUHCCR-SECBINFHSA-N 1 0 309.370 1.340 20 5 DDBDRO C[C@@H](CO)[C@@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000595679068 356607088 /nfs/dbraw/zinc/60/70/88/356607088.db2.gz UTICLVPURXOESR-JSGCOSHPSA-N 1 0 309.366 1.239 20 5 DDBDRO C[C@@H]1C[NH+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H](C)C1O ZINC000595744151 356632715 /nfs/dbraw/zinc/63/27/15/356632715.db2.gz TVXJDOXJUXFWST-UPJWGTAASA-N 1 0 324.377 1.283 20 5 DDBDRO O=C(CC[N@@H+]1CC[C@@H]2COC[C@@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000595828152 356666746 /nfs/dbraw/zinc/66/67/46/356666746.db2.gz UVRPHTWSXSOHRE-OLZOCXBDSA-N 1 0 319.361 1.892 20 5 DDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H](C)[C@@](C)(CO)C1 ZINC000595869415 356686101 /nfs/dbraw/zinc/68/61/01/356686101.db2.gz CWGFIAOHWNAVAQ-XHBSWPGZSA-N 1 0 321.377 1.872 20 5 DDBDRO CN(CC(C)(C)[NH3+])[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000595899702 356696708 /nfs/dbraw/zinc/69/67/08/356696708.db2.gz STNDQEGDMOHAJX-ZDUSSCGKSA-N 1 0 306.366 1.369 20 5 DDBDRO Cc1c(NC(=O)CCN2CC3CC2(C[NH3+])C3)cccc1[N+](=O)[O-] ZINC000595909368 356701594 /nfs/dbraw/zinc/70/15/94/356701594.db2.gz MAVQFSKOFPJTEW-UHFFFAOYSA-N 1 0 318.377 1.655 20 5 DDBDRO [NH3+]CC12CC(C1)CN2[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000595908268 356701721 /nfs/dbraw/zinc/70/17/21/356701721.db2.gz HCFSYHHQDASOSA-OFWKBQFLSA-N 1 0 316.361 1.123 20 5 DDBDRO C[NH2+]C[C@H](C)NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000595984606 356736215 /nfs/dbraw/zinc/73/62/15/356736215.db2.gz WUWUICOGAHLTCQ-JTQLQIEISA-N 1 0 303.322 1.118 20 5 DDBDRO CC(C)(C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CC(F)(F)F ZINC000596070877 356760876 /nfs/dbraw/zinc/76/08/76/356760876.db2.gz UJFWOFCQUFXWQH-SNVBAGLBSA-N 1 0 324.303 1.720 20 5 DDBDRO C[C@H](C[NH+]1CCCCC1)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596075551 356763636 /nfs/dbraw/zinc/76/36/36/356763636.db2.gz HARCSIZYMPSRDH-LLVKDONJSA-N 1 0 306.366 1.980 20 5 DDBDRO COCC[N@@H+]1CCC[C@@H]1CNc1c(Cl)cncc1[N+](=O)[O-] ZINC000596110549 356775231 /nfs/dbraw/zinc/77/52/31/356775231.db2.gz OXHSCCJOCOIMOL-SNVBAGLBSA-N 1 0 314.773 1.588 20 5 DDBDRO C[C@H]1C[N@H+](CCCNc2cc[nH]c(=O)c2[N+](=O)[O-])CCCO1 ZINC000596207349 356814382 /nfs/dbraw/zinc/81/43/82/356814382.db2.gz DGYLAORCNIALFP-NSHDSACASA-N 1 0 310.354 1.608 20 5 DDBDRO C[NH+](C)CCOC1CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596123867 356781644 /nfs/dbraw/zinc/78/16/44/356781644.db2.gz GGDZCPLQJHMDFE-UHFFFAOYSA-N 1 0 310.354 1.242 20 5 DDBDRO C[C@H](CCNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])[NH+](C)C ZINC000596430875 356877984 /nfs/dbraw/zinc/87/79/84/356877984.db2.gz LGXZETAKIIISOJ-MRVPVSSYSA-N 1 0 321.424 1.812 20 5 DDBDRO COc1ccc(-c2ccc(C[NH2+]C[C@@H](O)CO)o2)c([N+](=O)[O-])c1 ZINC000347527393 283225461 /nfs/dbraw/zinc/22/54/61/283225461.db2.gz RJQVDMGCRQUUFQ-SNVBAGLBSA-N 1 0 322.317 1.306 20 5 DDBDRO COc1cc(OCC(=O)N[C@@H]2CCC[C@@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000237226674 202197607 /nfs/dbraw/zinc/19/76/07/202197607.db2.gz HWFLDTWBPGNENP-ZYHUDNBSSA-N 1 0 323.349 1.226 20 5 DDBDRO Cc1cnc(N2CCC([N@@H+]3CC[C@H](O)C3)CC2)c([N+](=O)[O-])c1 ZINC000596538617 356911036 /nfs/dbraw/zinc/91/10/36/356911036.db2.gz MVFIBNKFMPAREO-ZDUSSCGKSA-N 1 0 306.366 1.334 20 5 DDBDRO CCOC(=O)[C@H](C)[C@H](C)[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000358786059 299254112 /nfs/dbraw/zinc/25/41/12/299254112.db2.gz BIEGJPJPHPJGFY-MNOVXSKESA-N 1 0 323.349 1.711 20 5 DDBDRO COc1cc(OCC(=O)N2CCC[C@@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000237225355 202195415 /nfs/dbraw/zinc/19/54/15/202195415.db2.gz ISUHNXVYKWKSFW-NSHDSACASA-N 1 0 323.349 1.180 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000596496902 356897838 /nfs/dbraw/zinc/89/78/38/356897838.db2.gz PTSJLPGWDAMNKJ-UHFFFAOYSA-N 1 0 320.393 1.785 20 5 DDBDRO CNc1ccc(C(=O)N[C@@H]2CCC[C@H]2[NH+](C)C)cc1[N+](=O)[O-] ZINC000597535292 357213896 /nfs/dbraw/zinc/21/38/96/357213896.db2.gz WGXRUYJQZUGYJC-CHWSQXEVSA-N 1 0 306.366 1.849 20 5 DDBDRO Cc1c(CNC(=O)N[C@H]2CC23CC[NH2+]CC3)cccc1[N+](=O)[O-] ZINC000597440039 357176255 /nfs/dbraw/zinc/17/62/55/357176255.db2.gz LIHROAYRUSKYLN-AWEZNQCLSA-N 1 0 318.377 1.845 20 5 DDBDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000597858480 357361502 /nfs/dbraw/zinc/36/15/02/357361502.db2.gz LZKQSOBDPCJBGC-GFCCVEGCSA-N 1 0 321.377 1.963 20 5 DDBDRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000597925917 357385354 /nfs/dbraw/zinc/38/53/54/357385354.db2.gz YEQHDPLILCGKNW-SNVBAGLBSA-N 1 0 308.338 1.298 20 5 DDBDRO CC[C@@H]1CN(C(=O)COc2ccc([N+](=O)[O-])cc2)C[C@H](C)[NH2+]1 ZINC000598535343 357624310 /nfs/dbraw/zinc/62/43/10/357624310.db2.gz BXULQDFRWILPJY-NWDGAFQWSA-N 1 0 307.350 1.573 20 5 DDBDRO CC[C@@H]1CN(C(=O)c2ccc(OC)c([N+](=O)[O-])c2)C[C@H](C)[NH2+]1 ZINC000598535928 357624850 /nfs/dbraw/zinc/62/48/50/357624850.db2.gz LOPNGLMURMKJBK-CMPLNLGQSA-N 1 0 307.350 1.816 20 5 DDBDRO C[NH+](C)CCC[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000598547547 357629348 /nfs/dbraw/zinc/62/93/48/357629348.db2.gz YGJNXEVKJMDEJJ-HNNXBMFYSA-N 1 0 321.377 1.778 20 5 DDBDRO CC[N@@H+]1CCC[C@@H]1CNc1nccc(C(=O)OC)c1[N+](=O)[O-] ZINC000598588080 357642167 /nfs/dbraw/zinc/64/21/67/357642167.db2.gz YWWYDNQTDWJAFD-SNVBAGLBSA-N 1 0 308.338 1.673 20 5 DDBDRO Cn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)n1 ZINC000598563067 357634389 /nfs/dbraw/zinc/63/43/89/357634389.db2.gz ZXLLAWLYSUKOFZ-GFCCVEGCSA-N 1 0 321.381 1.180 20 5 DDBDRO O=[N+]([O-])c1c2ccncc2ccc1N1CC[C@H](O)[C@@H](CO)C1 ZINC000599091060 357812515 /nfs/dbraw/zinc/81/25/15/357812515.db2.gz OBVPPFQSTINYSP-RISCZKNCSA-N 1 0 303.318 1.323 20 5 DDBDRO CCn1nncc1CNCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000598985130 357783959 /nfs/dbraw/zinc/78/39/59/357783959.db2.gz AWKURWMSMYZAON-UHFFFAOYSA-N 1 0 321.337 1.513 20 5 DDBDRO NC(=O)NC(=O)CCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000179521605 283301451 /nfs/dbraw/zinc/30/14/51/283301451.db2.gz HWOAWTKQBOBLHJ-UHFFFAOYSA-N 1 0 320.349 1.534 20 5 DDBDRO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H]3CC[C@@H](O)[C@@H]32)c2c(c1)COCO2 ZINC000599680513 358022630 /nfs/dbraw/zinc/02/26/30/358022630.db2.gz DMAGHPZHXICSHS-COLVAYQJSA-N 1 0 320.345 1.807 20 5 DDBDRO CCc1ccc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)cc1[N+](=O)[O-] ZINC000599999635 358100061 /nfs/dbraw/zinc/10/00/61/358100061.db2.gz HCAJSTSFJLYWBO-NHAGDIPZSA-N 1 0 303.362 1.789 20 5 DDBDRO Cc1nn(C)c(C(=O)NC[C@H]2CCCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000600310387 358192054 /nfs/dbraw/zinc/19/20/54/358192054.db2.gz IOJHNJWVRZFUPI-LLVKDONJSA-N 1 0 309.370 1.098 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCCC[N@H+](C)C2)n1 ZINC000600315272 358194211 /nfs/dbraw/zinc/19/42/11/358194211.db2.gz QVWDRXAJJYEMJL-NSHDSACASA-N 1 0 309.370 1.273 20 5 DDBDRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C1 ZINC000237322352 202231359 /nfs/dbraw/zinc/23/13/59/202231359.db2.gz HHFRQIROOMJCKM-NEPJUHHUSA-N 1 0 320.393 1.860 20 5 DDBDRO Cc1ccc(CNCc2nc(C[NH3+])cc(=O)[nH]2)cc1[N+](=O)[O-] ZINC000600776100 358312883 /nfs/dbraw/zinc/31/28/83/358312883.db2.gz OUTDJDFWVNRFQW-UHFFFAOYSA-N 1 0 303.322 1.147 20 5 DDBDRO NC(=O)c1cc([N+](=O)[O-])cnc1N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000298729424 283367941 /nfs/dbraw/zinc/36/79/41/283367941.db2.gz SEKVNJQCBGUXCF-NEPJUHHUSA-N 1 0 305.338 1.127 20 5 DDBDRO CN(c1c([N+](=O)[O-])c(C(F)(F)F)nn1C)[C@H]1CCC[N@H+](C)C1 ZINC000601119850 358409889 /nfs/dbraw/zinc/40/98/89/358409889.db2.gz XQYMOFLRNWMYCT-QMMMGPOBSA-N 1 0 321.303 1.878 20 5 DDBDRO O=[N+]([O-])c1cc2c(ncnc2N2CC([NH+]3CCCC3)C2)s1 ZINC000601194235 358441163 /nfs/dbraw/zinc/44/11/63/358441163.db2.gz VTNZVVDOLLACMT-UHFFFAOYSA-N 1 0 305.363 1.884 20 5 DDBDRO C[C@@H]1[C@H](C(=O)N[C@](C)(CO)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000601774748 358690040 /nfs/dbraw/zinc/69/00/40/358690040.db2.gz DJZOKPUHORONQY-DJSGYFEHSA-N 1 0 321.377 1.259 20 5 DDBDRO C[N@@H+]1CCC[C@@H]1C(=O)N[C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000601777815 358691409 /nfs/dbraw/zinc/69/14/09/358691409.db2.gz LMZMPZYIYWHGGL-HIFRSBDPSA-N 1 0 307.350 1.013 20 5 DDBDRO C[C@@](O)(C[C@@H](O)C[NH2+]CCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000601964698 358755843 /nfs/dbraw/zinc/75/58/43/358755843.db2.gz LNTDLACITWQJTD-HZPDHXFCSA-N 1 0 308.378 1.639 20 5 DDBDRO C[NH+](C)[C@@H]1C[C@@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)C1(C)C ZINC000602169744 358861174 /nfs/dbraw/zinc/86/11/74/358861174.db2.gz HAUWRNYJKXOEOR-VXGBXAGGSA-N 1 0 309.370 1.026 20 5 DDBDRO CO[C@@H](C[NH2+]CCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCOC1 ZINC000602538535 359034283 /nfs/dbraw/zinc/03/42/83/359034283.db2.gz FVFRKDWFWMLXLR-WFASDCNBSA-N 1 0 310.350 1.615 20 5 DDBDRO C[C@@]12C[NH+](CCc3ccc([N+](=O)[O-])cc3)C[C@@]1(C)C(=O)NC2=O ZINC000602723833 359150689 /nfs/dbraw/zinc/15/06/89/359150689.db2.gz HPZGOCSCMMDSBB-HOTGVXAUSA-N 1 0 317.345 1.122 20 5 DDBDRO CCCNC(=O)[C@H]1CCC[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602767113 359177007 /nfs/dbraw/zinc/17/70/07/359177007.db2.gz VZCKVANTSDTRQW-ZDUSSCGKSA-N 1 0 323.397 1.338 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000602841119 359229951 /nfs/dbraw/zinc/22/99/51/359229951.db2.gz MZGUCXZOGXSYFV-BNOWGMLFSA-N 1 0 306.366 1.647 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@@H](C(C)(C)C)[C@@H](O)C1 ZINC000602801072 359201168 /nfs/dbraw/zinc/20/11/68/359201168.db2.gz LFFDODLLVLXTAS-OLZOCXBDSA-N 1 0 310.398 1.829 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](CO)c1cccc(F)c1 ZINC000602805300 359203213 /nfs/dbraw/zinc/20/32/13/359203213.db2.gz JHRLJROMWZQMFQ-CYBMUJFWSA-N 1 0 308.313 1.562 20 5 DDBDRO C[NH+](C)C[C@@]1(O)CCCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000602894639 359278525 /nfs/dbraw/zinc/27/85/25/359278525.db2.gz YLHVSLIXWVEWRW-INIZCTEOSA-N 1 0 323.393 1.362 20 5 DDBDRO C[C@H]([NH2+][C@@H](CC(N)=O)C1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000348279099 283447876 /nfs/dbraw/zinc/44/78/76/283447876.db2.gz OJMNHGMZKROUJL-FZMZJTMJSA-N 1 0 321.377 1.916 20 5 DDBDRO CN(CCC[N@H+](C)Cc1ccncc1)c1ncc([N+](=O)[O-])cn1 ZINC000603399575 359616704 /nfs/dbraw/zinc/61/67/04/359616704.db2.gz GSKAOSFFXWHWIP-UHFFFAOYSA-N 1 0 316.365 1.738 20 5 DDBDRO CCOc1ccc(C(=O)N[C@H]2C[NH2+]CC[C@H]2C)cc1[N+](=O)[O-] ZINC000186862761 200023280 /nfs/dbraw/zinc/02/32/80/200023280.db2.gz HCBIZRHSYGVBTD-PWSUYJOCSA-N 1 0 307.350 1.721 20 5 DDBDRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000186876344 200025755 /nfs/dbraw/zinc/02/57/55/200025755.db2.gz NUSJTKOBZCILRL-WFASDCNBSA-N 1 0 320.393 1.901 20 5 DDBDRO Cc1c(NC(=O)C(=O)N[C@@H]2CCC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC000604227532 359728472 /nfs/dbraw/zinc/72/84/72/359728472.db2.gz NSABEUPHBJDGNU-LLVKDONJSA-N 1 0 320.349 1.052 20 5 DDBDRO CN(C)C(=O)CCC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000618566842 363676306 /nfs/dbraw/zinc/67/63/06/363676306.db2.gz HJTMZXDEGJNIRU-STQMWFEESA-N 1 0 323.397 1.733 20 5 DDBDRO [NH3+]C[C@H](NC(=O)CCCNc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000237854860 202371432 /nfs/dbraw/zinc/37/14/32/202371432.db2.gz FKYFUTMSQZYXQY-AWEZNQCLSA-N 1 0 306.366 1.640 20 5 DDBDRO [NH3+]C[C@H]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000237856995 202371905 /nfs/dbraw/zinc/37/19/05/202371905.db2.gz CVKIDVITOIQDGE-SNVBAGLBSA-N 1 0 311.769 1.988 20 5 DDBDRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000189406241 200396087 /nfs/dbraw/zinc/39/60/87/200396087.db2.gz QIEIOELOTMEHPY-ZDUSSCGKSA-N 1 0 307.394 1.872 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000609135398 360264279 /nfs/dbraw/zinc/26/42/79/360264279.db2.gz IIENKXAVRMEUNC-GFCCVEGCSA-N 1 0 309.370 1.089 20 5 DDBDRO CC[N@@H+]1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000609283850 360286512 /nfs/dbraw/zinc/28/65/12/360286512.db2.gz FREMKTLZMUTXFV-UKRRQHHQSA-N 1 0 323.393 1.361 20 5 DDBDRO CN1CCC([N@@H+]2CC[C@H](Nc3cccnc3[N+](=O)[O-])C2)CC1 ZINC000609571064 360326221 /nfs/dbraw/zinc/32/62/21/360326221.db2.gz MPRYIBUDMAUPJL-LBPRGKRZSA-N 1 0 305.382 1.570 20 5 DDBDRO CN(C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)[C@@H]1CCC[N@H+](C)C1 ZINC000610187912 360389512 /nfs/dbraw/zinc/38/95/12/360389512.db2.gz XBMCJZUORWAQMV-SNVBAGLBSA-N 1 0 321.333 1.490 20 5 DDBDRO C[C@@H]1C[C@H](NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C[N@@H+]1C1CC1 ZINC000610654056 360492636 /nfs/dbraw/zinc/49/26/36/360492636.db2.gz GVVMHBIWPJJXLJ-MNOVXSKESA-N 1 0 321.381 1.268 20 5 DDBDRO CC(C)[NH+]1CCN([C@H]2CCN(c3cccnc3[N+](=O)[O-])C2)CC1 ZINC000610726090 360518463 /nfs/dbraw/zinc/51/84/63/360518463.db2.gz PPNANKGEHGEGOW-AWEZNQCLSA-N 1 0 319.409 1.595 20 5 DDBDRO COCC[N@@H+]1CCC[C@@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000611528148 360749145 /nfs/dbraw/zinc/74/91/45/360749145.db2.gz HSKNWXBCPKTFMS-LLVKDONJSA-N 1 0 322.365 1.018 20 5 DDBDRO COCC[N@@H+]1CCC[C@H](NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000611556116 360759218 /nfs/dbraw/zinc/75/92/18/360759218.db2.gz IEUMILWRLSRWIU-LBPRGKRZSA-N 1 0 323.349 1.141 20 5 DDBDRO Cc1c(CC(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000292453039 223091030 /nfs/dbraw/zinc/09/10/30/223091030.db2.gz KZTJBJIGEQKDPR-ZIAGYGMSSA-N 1 0 303.362 1.656 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CC[C@H](C(F)F)C1 ZINC000612110346 360922955 /nfs/dbraw/zinc/92/29/55/360922955.db2.gz DLVXILPDBGJFGS-WDEREUQCSA-N 1 0 316.304 1.922 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NCCC[NH3+])c1 ZINC000193230289 201009632 /nfs/dbraw/zinc/00/96/32/201009632.db2.gz NBNHRIBCFLFSRF-UHFFFAOYSA-N 1 0 307.759 1.184 20 5 DDBDRO Cc1cc(C)c(S(=O)(=O)N(C)[C@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000193280343 201019326 /nfs/dbraw/zinc/01/93/26/201019326.db2.gz YAFHEERXRKNGPL-SNVBAGLBSA-N 1 0 301.368 1.179 20 5 DDBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H](C)CC[NH3+] ZINC000349984381 284126444 /nfs/dbraw/zinc/12/64/44/284126444.db2.gz DJNYQINELRSERP-DTWKUNHWSA-N 1 0 315.757 1.869 20 5 DDBDRO C[C@H](CC[NH3+])NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000349988951 284128100 /nfs/dbraw/zinc/12/81/00/284128100.db2.gz NRMGLRVQLFSJJC-SNVBAGLBSA-N 1 0 303.322 1.248 20 5 DDBDRO [NH3+]C[C@@H]1CCCN1C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000262186214 203223411 /nfs/dbraw/zinc/22/34/11/203223411.db2.gz LOCXBDNPQJJBPK-NSHDSACASA-N 1 0 315.333 1.344 20 5 DDBDRO COc1cc(OCC(=O)NCC[C@@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000262574648 203336293 /nfs/dbraw/zinc/33/62/93/203336293.db2.gz IVIIZCDHWUVDIG-NSHDSACASA-N 1 0 323.349 1.098 20 5 DDBDRO C[C@H](CC[NH+](C)C)NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000264864803 204221467 /nfs/dbraw/zinc/22/14/67/204221467.db2.gz FSMLWIYLNGAXKI-GFCCVEGCSA-N 1 0 309.366 1.820 20 5 DDBDRO C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCc2ccccc21 ZINC000266419209 205332810 /nfs/dbraw/zinc/33/28/10/205332810.db2.gz IKDZKBBSJWMWAF-ZBFHGGJFSA-N 1 0 316.361 1.772 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160063697 197382798 /nfs/dbraw/zinc/38/27/98/197382798.db2.gz DIBGUOGZXZQAIE-AWEZNQCLSA-N 1 0 321.377 1.480 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000566970901 304190630 /nfs/dbraw/zinc/19/06/30/304190630.db2.gz FTBPAXBKLFNIOO-UKRRQHHQSA-N 1 0 321.377 1.648 20 5 DDBDRO C[C@H]([NH2+]CC1(N(C)C)CCOCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283884244 217796740 /nfs/dbraw/zinc/79/67/40/217796740.db2.gz CFNAEXQJGOIBRD-LBPRGKRZSA-N 1 0 322.409 1.938 20 5 DDBDRO O=[N+]([O-])c1cccc(N2CC[NH+](CCC3OCCCO3)CC2)c1 ZINC000267977124 206371909 /nfs/dbraw/zinc/37/19/09/206371909.db2.gz XAOBNQNNUCKCIR-UHFFFAOYSA-N 1 0 321.377 1.870 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@@H]2CCCC[C@@H]2OC(F)F)n1 ZINC000337403913 249480131 /nfs/dbraw/zinc/48/01/31/249480131.db2.gz KYHMKVJBZUVHEM-ZJUUUORDSA-N 1 0 304.297 1.931 20 5 DDBDRO CN(C[C@@H]1CC[N@H+](C)C1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000104747414 194034094 /nfs/dbraw/zinc/03/40/94/194034094.db2.gz UXYNTEYXEOSPTL-LLVKDONJSA-N 1 0 313.379 1.167 20 5 DDBDRO CC(C)[C@H](C(=O)NCCNc1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000106408616 194209967 /nfs/dbraw/zinc/20/99/67/194209967.db2.gz WLIKWYUTQKXVRZ-CQSZACIVSA-N 1 0 308.382 1.709 20 5 DDBDRO C[C@@H](CC[NH+](C)C)NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000273716041 211000168 /nfs/dbraw/zinc/00/01/68/211000168.db2.gz QWPLJYSDGDZFKN-NSHDSACASA-N 1 0 315.395 1.354 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCO[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000285326943 218383102 /nfs/dbraw/zinc/38/31/02/218383102.db2.gz RWOZACUMANJVNN-CABCVRRESA-N 1 0 319.361 1.448 20 5 DDBDRO CCCc1n[nH]c(C(=O)N(C)CC2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000109627640 194278822 /nfs/dbraw/zinc/27/88/22/194278822.db2.gz CEFPXMCMPQNQFO-UHFFFAOYSA-N 1 0 323.397 1.684 20 5 DDBDRO COc1cc(C(=O)NC[C@H]2CC[N@H+](C)C2)c([N+](=O)[O-])cc1OC ZINC000109992238 194302665 /nfs/dbraw/zinc/30/26/65/194302665.db2.gz YGICHSORFYNEOZ-SNVBAGLBSA-N 1 0 323.349 1.294 20 5 DDBDRO CC1CC[NH+](CCNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000057213451 184029642 /nfs/dbraw/zinc/02/96/42/184029642.db2.gz AEFSQXKPCGPDOB-UHFFFAOYSA-N 1 0 324.356 1.778 20 5 DDBDRO O=C(CN1CCC[NH2+]CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000061270494 184167401 /nfs/dbraw/zinc/16/74/01/184167401.db2.gz HOOMEXRFTOHTAT-UHFFFAOYSA-N 1 0 312.757 1.482 20 5 DDBDRO Nc1c(C(=O)NCC2([NH3+])CCCCC2)cc(F)cc1[N+](=O)[O-] ZINC000269101179 207239804 /nfs/dbraw/zinc/23/98/04/207239804.db2.gz CVNJUFVYXUMJGM-UHFFFAOYSA-N 1 0 310.329 1.708 20 5 DDBDRO C[C@H]1CN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC[C@@H]1[NH3+] ZINC000269186512 207307146 /nfs/dbraw/zinc/30/71/46/207307146.db2.gz FXRSGZMNWZRUEU-CABZTGNLSA-N 1 0 311.313 1.308 20 5 DDBDRO CN(C(=O)CN1CCCC[C@H]1CC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000352516929 285108402 /nfs/dbraw/zinc/10/84/02/285108402.db2.gz ATYWYCGHWBTPQR-AWEZNQCLSA-N 1 0 320.393 1.761 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@@H]2CCCC[C@H]2n2cccn2)n1 ZINC000128602009 285168545 /nfs/dbraw/zinc/16/85/45/285168545.db2.gz AGBONTVSNPWVOC-CHWSQXEVSA-N 1 0 304.354 1.761 20 5 DDBDRO Cn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)n1 ZINC000271449960 208922077 /nfs/dbraw/zinc/92/20/77/208922077.db2.gz VLEUHCLNFLCGNR-LLVKDONJSA-N 1 0 307.354 1.029 20 5 DDBDRO C[C@@H](NC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000417126739 533141259 /nfs/dbraw/zinc/14/12/59/533141259.db2.gz DZOWEPOGTCGEDA-RTXFEEFZSA-N 1 0 304.350 1.517 20 5 DDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)[C@H]1CCC[C@@H]1O ZINC000352659459 285203825 /nfs/dbraw/zinc/20/38/25/285203825.db2.gz JQPMKXHCGYSHGD-SWHYSGLUSA-N 1 0 307.350 1.767 20 5 DDBDRO C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000155319722 197043823 /nfs/dbraw/zinc/04/38/23/197043823.db2.gz DKHJMEZFAGKRKW-CHWSQXEVSA-N 1 0 320.393 1.948 20 5 DDBDRO Cc1ccc(CN2CCN([C@H]3CC[NH2+]C3)CC2)cc1[N+](=O)[O-] ZINC000352701208 285238937 /nfs/dbraw/zinc/23/89/37/285238937.db2.gz GHKNJDYRXAUWBB-HNNXBMFYSA-N 1 0 304.394 1.383 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H](CO)C1CCCC1 ZINC000352706351 285242271 /nfs/dbraw/zinc/24/22/71/285242271.db2.gz MXIXZSSZJQYGDH-HNNXBMFYSA-N 1 0 321.377 1.982 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000449638823 533212373 /nfs/dbraw/zinc/21/23/73/533212373.db2.gz MIKWELODSUOCGW-GHMZBOCLSA-N 1 0 307.350 1.851 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000289767375 221211900 /nfs/dbraw/zinc/21/19/00/221211900.db2.gz NFSZWVPBKYCOLL-NEPJUHHUSA-N 1 0 318.377 1.342 20 5 DDBDRO C[C@@H]1CSC[C@@H]1[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000352813297 285317852 /nfs/dbraw/zinc/31/78/52/285317852.db2.gz AVQIKMUWDLTGJZ-MFKMUULPSA-N 1 0 309.391 1.899 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000444156523 533223428 /nfs/dbraw/zinc/22/34/28/533223428.db2.gz LVHQSGVXYPZDRR-IUODEOHRSA-N 1 0 305.334 1.219 20 5 DDBDRO CCc1ccc(C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1[N+](=O)[O-] ZINC000290019715 221383928 /nfs/dbraw/zinc/38/39/28/221383928.db2.gz ZZUHBEUBFHZCLQ-KGLIPLIRSA-N 1 0 303.362 1.839 20 5 DDBDRO O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000290224204 221501918 /nfs/dbraw/zinc/50/19/18/221501918.db2.gz UBNOSHUXSVWCQH-QAMKJQMISA-N 1 0 301.346 1.676 20 5 DDBDRO Cc1ccc(NC(=O)NC[C@@H]2C[NH2+]CCCO2)cc1[N+](=O)[O-] ZINC000414655379 224368731 /nfs/dbraw/zinc/36/87/31/224368731.db2.gz HGWGLXUOCLLESC-LBPRGKRZSA-N 1 0 308.338 1.403 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CC(O)(C2CC2)C2CC2)c1 ZINC001120495857 781984243 /nfs/dbraw/zinc/98/42/43/781984243.db2.gz UVFLHXXTSGDWKB-OAHLLOKOSA-N 1 0 306.362 1.769 20 5 DDBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H](CN)C1CC1 ZINC000414798986 533449010 /nfs/dbraw/zinc/44/90/10/533449010.db2.gz CXHDBHARIOVZSI-IINYFYTJSA-N 1 0 306.366 1.639 20 5 DDBDRO C[C@@H]1C[C@@H](NC(=O)CNc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000330915845 533603527 /nfs/dbraw/zinc/60/35/27/533603527.db2.gz URUDUWLRVLFSNW-NEPJUHHUSA-N 1 0 306.366 1.606 20 5 DDBDRO COc1ccc(CNC(=O)N[C@H]2C[NH2+]CC[C@H]2C)cc1[N+](=O)[O-] ZINC000417177109 533633774 /nfs/dbraw/zinc/63/37/74/533633774.db2.gz CQNKBYYLXUNGBK-PWSUYJOCSA-N 1 0 322.365 1.401 20 5 DDBDRO COc1ccc(C[NH2+]C[C@H]2CCOC[C@@H]2OC)cc1[N+](=O)[O-] ZINC000449457392 533671473 /nfs/dbraw/zinc/67/14/73/533671473.db2.gz NOMALOMINLZZGT-DOMZBBRYSA-N 1 0 310.350 1.745 20 5 DDBDRO C[C@@H](CCS(C)(=O)=O)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000569000665 304329230 /nfs/dbraw/zinc/32/92/30/304329230.db2.gz MKCKPMAFMXHUEK-GXFFZTMASA-N 1 0 312.391 1.995 20 5 DDBDRO O=[N+]([O-])c1cccc(Cl)c1CN1CC[C@H](CO)[C@@H](O)C1 ZINC000569167159 304339167 /nfs/dbraw/zinc/33/91/67/304339167.db2.gz QUENTRCVUDZEGQ-RNCFNFMXSA-N 1 0 300.742 1.423 20 5 DDBDRO CCOC(=O)C[C@](C)([NH2+]Cc1c([N+](=O)[O-])ncn1C)C(C)C ZINC000360677254 299717796 /nfs/dbraw/zinc/71/77/96/299717796.db2.gz XNHXGVBRQKWWPY-AWEZNQCLSA-N 1 0 312.370 1.786 20 5 DDBDRO Cc1ccnc([C@H]2CC[N@H+](CCn3cc([N+](=O)[O-])cn3)C2)c1 ZINC000569739210 304376218 /nfs/dbraw/zinc/37/62/18/304376218.db2.gz LHQSCHXQXSSHPZ-ZDUSSCGKSA-N 1 0 301.350 1.984 20 5 DDBDRO Cc1cc(S(=O)(=O)N2CC[C@](C)(C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000261630806 407561283 /nfs/dbraw/zinc/56/12/83/407561283.db2.gz FJJHNCXCCJLBTJ-CYBMUJFWSA-N 1 0 313.379 1.263 20 5 DDBDRO COc1cccc(C(=O)N[C@@H](C[NH3+])C2CCCC2)c1[N+](=O)[O-] ZINC000423961909 286444294 /nfs/dbraw/zinc/44/42/94/286444294.db2.gz OEOLVWZHYJXOJJ-LBPRGKRZSA-N 1 0 307.350 1.851 20 5 DDBDRO COc1cc(C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000261646968 407567085 /nfs/dbraw/zinc/56/70/85/407567085.db2.gz FLQUDRKRDDTFRQ-XQQFMLRXSA-N 1 0 319.361 1.803 20 5 DDBDRO Cc1cc(C(=O)NCC[NH+]2CCCCC2)c(N)c([N+](=O)[O-])c1 ZINC000068516426 406647984 /nfs/dbraw/zinc/64/79/84/406647984.db2.gz YECTYJWQSGQSOK-UHFFFAOYSA-N 1 0 306.366 1.701 20 5 DDBDRO C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)CNc1ccccc1[N+](=O)[O-])C2 ZINC000073992363 406899536 /nfs/dbraw/zinc/89/95/36/406899536.db2.gz FSLITHSRTDWSPD-QWHCGFSZSA-N 1 0 318.377 1.702 20 5 DDBDRO CN(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000075221603 406926796 /nfs/dbraw/zinc/92/67/96/406926796.db2.gz AFQSQBSALHQKAQ-UHFFFAOYSA-N 1 0 322.321 1.669 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000044492854 407024530 /nfs/dbraw/zinc/02/45/30/407024530.db2.gz QWBVCABEVBQHDU-NSHDSACASA-N 1 0 313.379 1.324 20 5 DDBDRO O=C(c1cccc([N+](=O)[O-])c1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000050964926 407132888 /nfs/dbraw/zinc/13/28/88/407132888.db2.gz NXBQTDPVMFZCIU-ZDUSSCGKSA-N 1 0 319.361 1.389 20 5 DDBDRO CC(C)(C[NH2+]Cc1cccc([N+](=O)[O-])c1)NS(C)(=O)=O ZINC000067005729 407265827 /nfs/dbraw/zinc/26/58/27/407265827.db2.gz NHVUNNPQMHTDKN-UHFFFAOYSA-N 1 0 301.368 1.012 20 5 DDBDRO C[C@@H](CNC(=O)Cn1ccc([N+](=O)[O-])n1)[N@@H+]1CCC[C@@H](C)C1 ZINC000068084339 407294534 /nfs/dbraw/zinc/29/45/34/407294534.db2.gz STEKDNZZAHAXKO-NEPJUHHUSA-N 1 0 309.370 1.028 20 5 DDBDRO CC[N@@H+]1CC[C@H](CNC(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000107894248 407381127 /nfs/dbraw/zinc/38/11/27/407381127.db2.gz BDRMFZCXPUSGFH-GFCCVEGCSA-N 1 0 307.350 1.432 20 5 DDBDRO CN(CC[NH+]1CCCC1)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000112745556 407438710 /nfs/dbraw/zinc/43/87/10/407438710.db2.gz USASYMILWLEEKU-UHFFFAOYSA-N 1 0 320.393 1.875 20 5 DDBDRO O=C(CC[N@H+]1[C@@H]2CC[C@H]1CC(O)C2)Nc1ccccc1[N+](=O)[O-] ZINC000111319339 407407477 /nfs/dbraw/zinc/40/74/77/407407477.db2.gz PNRBYEPIAVRGDN-FUNVUKJBSA-N 1 0 319.361 1.911 20 5 DDBDRO CC(C)[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2 ZINC000126328553 407410677 /nfs/dbraw/zinc/41/06/77/407410677.db2.gz MRKAKARDLYILJQ-WDEREUQCSA-N 1 0 307.354 1.405 20 5 DDBDRO CCCC[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000112364059 407427691 /nfs/dbraw/zinc/42/76/91/407427691.db2.gz VIUUMVXFHZZCTI-UHFFFAOYSA-N 1 0 315.395 1.605 20 5 DDBDRO C[NH+](C)[C@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000185778393 407498771 /nfs/dbraw/zinc/49/87/71/407498771.db2.gz KZGUYKVWWGFSOU-LBPRGKRZSA-N 1 0 313.379 1.310 20 5 DDBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@@](C)(C[NH3+])C1 ZINC000261663147 407571642 /nfs/dbraw/zinc/57/16/42/407571642.db2.gz IKXDHGZTFKZTPR-NHYWBVRUSA-N 1 0 306.366 1.593 20 5 DDBDRO Cc1c(C(=O)NC[C@@H]2CCC[NH2+]2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000178760295 407590275 /nfs/dbraw/zinc/59/02/75/407590275.db2.gz FYIUUQNEVBDNTB-JTQLQIEISA-N 1 0 322.321 1.602 20 5 DDBDRO C[NH+](C)[C@@H]1CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000170860679 407534515 /nfs/dbraw/zinc/53/45/15/407534515.db2.gz SRLMYIJBFLKAIS-CYBMUJFWSA-N 1 0 318.377 1.945 20 5 DDBDRO C[NH+](C)CCCNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000114674758 407596941 /nfs/dbraw/zinc/59/69/41/407596941.db2.gz UFURGFLVENGABM-UHFFFAOYSA-N 1 0 317.349 1.462 20 5 DDBDRO C[C@]1(C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)CC[NH2+]C1 ZINC000261769546 407607483 /nfs/dbraw/zinc/60/74/83/407607483.db2.gz QPUQQXIDNGLADT-INIZCTEOSA-N 1 0 318.377 1.243 20 5 DDBDRO Cc1c(C(=O)NC[C@@H]2CCC[NH2+]C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000130038898 407647586 /nfs/dbraw/zinc/64/75/86/407647586.db2.gz XLLLEPMOLFJTHA-SNVBAGLBSA-N 1 0 322.321 1.541 20 5 DDBDRO CN1CCO[C@H](CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000171287025 407649833 /nfs/dbraw/zinc/64/98/33/407649833.db2.gz IIAZSZALOFHSIS-LLVKDONJSA-N 1 0 318.333 1.137 20 5 DDBDRO [NH3+][C@H](CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)C1CC1 ZINC000261943204 407681326 /nfs/dbraw/zinc/68/13/26/407681326.db2.gz NXVXDJZMYRLPPM-GFCCVEGCSA-N 1 0 315.333 1.248 20 5 DDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)NCC1([NH3+])CCCCCC1 ZINC000262046762 407723383 /nfs/dbraw/zinc/72/33/83/407723383.db2.gz GWOQWZCWMXBJKK-UHFFFAOYSA-N 1 0 306.366 1.959 20 5 DDBDRO CCn1c(CC[NH3+])nnc1Sc1ccc(F)cc1[N+](=O)[O-] ZINC000267053327 407730674 /nfs/dbraw/zinc/73/06/74/407730674.db2.gz AFEVNNRQVNGKAE-UHFFFAOYSA-N 1 0 311.342 1.998 20 5 DDBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H](CCO)c1ccccc1 ZINC000267043198 407727245 /nfs/dbraw/zinc/72/72/45/407727245.db2.gz DMIYLMLUYPJDOX-AWEZNQCLSA-N 1 0 304.350 1.847 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000186726374 407758858 /nfs/dbraw/zinc/75/88/58/407758858.db2.gz HXBOZKPDGGJZCE-UHFFFAOYSA-N 1 0 320.393 1.827 20 5 DDBDRO [NH3+]CCNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000237969130 407860267 /nfs/dbraw/zinc/86/02/67/407860267.db2.gz XXIIGBDBALYIBM-UHFFFAOYSA-N 1 0 307.228 1.224 20 5 DDBDRO COC[C@@]1(CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)CCC[NH2+]1 ZINC000262544595 407863229 /nfs/dbraw/zinc/86/32/29/407863229.db2.gz RONMDNQDGHEGQN-HNNXBMFYSA-N 1 0 307.350 1.402 20 5 DDBDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000272322420 407867622 /nfs/dbraw/zinc/86/76/22/407867622.db2.gz UFHNIGDFGWXXFR-VXGBXAGGSA-N 1 0 307.350 1.559 20 5 DDBDRO CC(C)CNC(=O)NC(=O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180426861 407889720 /nfs/dbraw/zinc/88/97/20/407889720.db2.gz SHCIRDNRSPZXPR-NSHDSACASA-N 1 0 322.365 1.727 20 5 DDBDRO COc1cc(C[NH2+][C@@H](C)CO)c([N+](=O)[O-])cc1OCC(F)F ZINC000272384978 407894698 /nfs/dbraw/zinc/89/46/98/407894698.db2.gz IFYLXOOKZYIMJF-QMMMGPOBSA-N 1 0 320.292 1.718 20 5 DDBDRO Cc1cc(S(=O)(=O)N[C@@H]2CC[NH2+][C@H](C)C2)ccc1[N+](=O)[O-] ZINC000262747773 407914323 /nfs/dbraw/zinc/91/43/23/407914323.db2.gz AXKPAAXWGNLUPK-GHMZBOCLSA-N 1 0 313.379 1.322 20 5 DDBDRO Cc1nn(CCC(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000154242803 408002944 /nfs/dbraw/zinc/00/29/44/408002944.db2.gz DYYGNPWHRFYZHN-AOOOYVTPSA-N 1 0 309.370 1.007 20 5 DDBDRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1c([N+](=O)[O-])cnn1C ZINC000245854044 408080802 /nfs/dbraw/zinc/08/08/02/408080802.db2.gz DHDIXYGCFMVVKX-MNOVXSKESA-N 1 0 307.354 1.027 20 5 DDBDRO CC(=O)NCCCN1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000150103523 408193351 /nfs/dbraw/zinc/19/33/51/408193351.db2.gz SOJYVZZJYDSPMG-UHFFFAOYSA-N 1 0 306.366 1.243 20 5 DDBDRO C[C@@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1cnn(C)c1 ZINC000273308895 408146448 /nfs/dbraw/zinc/14/64/48/408146448.db2.gz OPSKSRBUNHAMHT-RISCZKNCSA-N 1 0 320.349 1.419 20 5 DDBDRO CC[C@H](C)NC(=O)CC[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000121456619 408215967 /nfs/dbraw/zinc/21/59/67/408215967.db2.gz NCKHCBNXOPJDID-NSHDSACASA-N 1 0 309.366 1.998 20 5 DDBDRO C[C@H]1CC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@@H]1CO ZINC000190365696 408228793 /nfs/dbraw/zinc/22/87/93/408228793.db2.gz IXZDEASTPPHPHQ-SMDDNHRTSA-N 1 0 307.350 1.260 20 5 DDBDRO CN(C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)[C@@H]1CCC[N@H+](C)C1 ZINC000151202718 408274330 /nfs/dbraw/zinc/27/43/30/408274330.db2.gz BKBXLAJITTYLKI-LLVKDONJSA-N 1 0 309.370 1.079 20 5 DDBDRO COc1cc(C(=O)N2CC[C@@H]([NH+](C)C)C2)c([N+](=O)[O-])cc1OC ZINC000170856120 162195132 /nfs/dbraw/zinc/19/51/32/162195132.db2.gz IPYNRHBTCILKRG-SNVBAGLBSA-N 1 0 323.349 1.388 20 5 DDBDRO COc1ccc(CN2CC[NH+](CC(C)(C)O)CC2)cc1[N+](=O)[O-] ZINC000171149362 162206292 /nfs/dbraw/zinc/20/62/92/162206292.db2.gz RVLAJZXIOCVNPZ-UHFFFAOYSA-N 1 0 323.393 1.492 20 5 DDBDRO CCOCCN1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000173657314 162352785 /nfs/dbraw/zinc/35/27/85/162352785.db2.gz KPBFWPWMOHZGJW-UHFFFAOYSA-N 1 0 321.377 1.318 20 5 DDBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000247369727 408459314 /nfs/dbraw/zinc/45/93/14/408459314.db2.gz KRXSLTVHWKYVIE-QWHCGFSZSA-N 1 0 321.377 1.772 20 5 DDBDRO COCCN(CC[NH+](C)C)C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000264203564 408402184 /nfs/dbraw/zinc/40/21/84/408402184.db2.gz RLPNJZKCSAASMK-UHFFFAOYSA-N 1 0 309.366 1.553 20 5 DDBDRO COC[C@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000183448765 408413649 /nfs/dbraw/zinc/41/36/49/408413649.db2.gz XAMSXLPQWYPZTQ-AWEZNQCLSA-N 1 0 319.361 1.499 20 5 DDBDRO C[NH+](C)C[C@H]1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000247532683 408489469 /nfs/dbraw/zinc/48/94/69/408489469.db2.gz XQLUZGQFTJQJEH-UKRRQHHQSA-N 1 0 323.393 1.218 20 5 DDBDRO C[C@@H]1C[C@@H](NC(=O)CNc2ccccc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000177033686 408503190 /nfs/dbraw/zinc/50/31/90/408503190.db2.gz SMCLSNVZAAOGAC-VXGBXAGGSA-N 1 0 318.377 1.748 20 5 DDBDRO COc1cc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)ccc1[N+](=O)[O-] ZINC000160679457 408513049 /nfs/dbraw/zinc/51/30/49/408513049.db2.gz IPNFDIQDVAZPQP-TXEJJXNPSA-N 1 0 305.334 1.570 20 5 DDBDRO CC[C@H]1CN(Cc2ccccc2[N+](=O)[O-])CC[N@@H+]1C[C@H](C)O ZINC000247392448 408462922 /nfs/dbraw/zinc/46/29/22/408462922.db2.gz XGLYJJYLFLZQPJ-ZFWWWQNUSA-N 1 0 307.394 1.872 20 5 DDBDRO C[NH+](C)[C@H]1CCCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000248455185 408570679 /nfs/dbraw/zinc/57/06/79/408570679.db2.gz KUGGJRGCWGRGGD-UONOGXRCSA-N 1 0 323.393 1.361 20 5 DDBDRO CC(C)[N@H+]1C[C@H](NC(=O)c2cccc([N+](=O)[O-])c2N)[C@@H](C)C1 ZINC000161297884 408584013 /nfs/dbraw/zinc/58/40/13/408584013.db2.gz DGQAWKPSBNGHOA-JQWIXIFHSA-N 1 0 306.366 1.636 20 5 DDBDRO COc1cccc2c1CC[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)C2 ZINC000192445874 408589110 /nfs/dbraw/zinc/58/91/10/408589110.db2.gz USEAOXVWHDBFGU-ZDUSSCGKSA-N 1 0 316.361 1.947 20 5 DDBDRO Cc1nn(C)c(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000161403914 408600653 /nfs/dbraw/zinc/60/06/53/408600653.db2.gz MIJYZYZAUUQHTQ-ONGXEEELSA-N 1 0 309.370 1.095 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000177556684 408656780 /nfs/dbraw/zinc/65/67/80/408656780.db2.gz QNFDTHMXUSLCRB-RYUDHWBXSA-N 1 0 306.366 1.901 20 5 DDBDRO CCn1ncnc1CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000193429353 408718597 /nfs/dbraw/zinc/71/85/97/408718597.db2.gz JUCKSPZDRFEXFM-NSHDSACASA-N 1 0 317.353 1.288 20 5 DDBDRO O=C1CCCN1[C@@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000270872993 408719194 /nfs/dbraw/zinc/71/91/94/408719194.db2.gz JLEMJKCGSARHGN-CYBMUJFWSA-N 1 0 319.361 1.670 20 5 DDBDRO C[C@@H](NC(=O)c1cc([N+](=O)[O-])cnc1N)C(C)(C)C[NH+](C)C ZINC000180572411 162764113 /nfs/dbraw/zinc/76/41/13/162764113.db2.gz URWWKBVINXVAQT-SECBINFHSA-N 1 0 309.370 1.278 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H](O)[C@@H](C)C1 ZINC000249536715 408738354 /nfs/dbraw/zinc/73/83/54/408738354.db2.gz CQJOBKLCANJOJP-WFASDCNBSA-N 1 0 321.377 1.935 20 5 DDBDRO COc1cc(C(=O)N2C[C@H]3CC[C@@H]([NH3+])[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000185037527 408741819 /nfs/dbraw/zinc/74/18/19/408741819.db2.gz MUMKBEYOYZSZAO-IJLUTSLNSA-N 1 0 305.334 1.413 20 5 DDBDRO Cc1nccn1CC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000270805589 408688203 /nfs/dbraw/zinc/68/82/03/408688203.db2.gz GGMUYYHPQGLAJA-UHFFFAOYSA-N 1 0 315.377 1.922 20 5 DDBDRO CC[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)N1CCOCC1 ZINC000165157000 408807463 /nfs/dbraw/zinc/80/74/63/408807463.db2.gz FNDACBRCNFJHLN-WFASDCNBSA-N 1 0 321.377 1.883 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@](C)(O)C1 ZINC000177980402 408750102 /nfs/dbraw/zinc/75/01/02/408750102.db2.gz IDWPOWZMNKULKY-OAHLLOKOSA-N 1 0 323.349 1.389 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000185085239 408753628 /nfs/dbraw/zinc/75/36/28/408753628.db2.gz GXBMAHHIWXGXLP-UHFFFAOYSA-N 1 0 309.370 1.180 20 5 DDBDRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)CCc3cccc([N+](=O)[O-])c3)C[C@@H]12 ZINC000185094515 408756884 /nfs/dbraw/zinc/75/68/84/408756884.db2.gz ZZHCKZGKVHNMDS-NWANDNLSSA-N 1 0 303.362 1.723 20 5 DDBDRO COCC[NH+]1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000195196193 408815477 /nfs/dbraw/zinc/81/54/77/408815477.db2.gz WWZSJJVZMJATNB-UHFFFAOYSA-N 1 0 309.366 1.238 20 5 DDBDRO C[C@@H](C[NH+](C)C)Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000168940017 408819050 /nfs/dbraw/zinc/81/90/50/408819050.db2.gz JRQZXXLIIDIWBV-VIFPVBQESA-N 1 0 301.368 1.360 20 5 DDBDRO C[C@H]1C[C@@H](Nc2ccc(C(N)=O)cc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000290839172 408841241 /nfs/dbraw/zinc/84/12/41/408841241.db2.gz VQPLXSDNOHAHHA-GXSJLCMTSA-N 1 0 304.350 1.731 20 5 DDBDRO C[NH+](C)[C@@H]1CCCN(C(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000277121471 408905806 /nfs/dbraw/zinc/90/58/06/408905806.db2.gz FMJLKKGFSRBXHR-CYBMUJFWSA-N 1 0 320.393 1.949 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)CN2CCC(F)(F)[C@H](CO)C2)c1 ZINC000291749675 408916599 /nfs/dbraw/zinc/91/65/99/408916599.db2.gz KLEZNGPASRVKMM-WCQYABFASA-N 1 0 316.304 1.578 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@@H](C)[C@H](CO)C1 ZINC000190860858 163162294 /nfs/dbraw/zinc/16/22/94/163162294.db2.gz XNAXAFUMIYSNRX-NEPJUHHUSA-N 1 0 307.350 1.402 20 5 DDBDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000277385935 408931192 /nfs/dbraw/zinc/93/11/92/408931192.db2.gz WWDYHSQRJNIEMV-LLVKDONJSA-N 1 0 306.366 1.733 20 5 DDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCCn1ccnc1 ZINC000192849555 163239872 /nfs/dbraw/zinc/23/98/72/163239872.db2.gz QIEOVBVNCRYKEJ-UHFFFAOYSA-N 1 0 324.362 1.468 20 5 DDBDRO COC(=O)c1cnc(N(C)CCC[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000281950474 408959691 /nfs/dbraw/zinc/95/96/91/408959691.db2.gz SCYPHCORHBADBC-UHFFFAOYSA-N 1 0 322.365 1.699 20 5 DDBDRO Cc1c(C(=O)N[C@H]2CC[NH2+]C[C@@H]2C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000277672553 408989338 /nfs/dbraw/zinc/98/93/38/408989338.db2.gz UTDVNBURHSUPHP-UFBFGSQYSA-N 1 0 322.321 1.539 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@H](OCc3ccncc3)C2)c1 ZINC000287726290 409083311 /nfs/dbraw/zinc/08/33/11/409083311.db2.gz KJHLIVVVWZCAFS-HNNXBMFYSA-N 1 0 317.349 1.477 20 5 DDBDRO C[C@@H](NC[C@@H](O)C[NH+]1CCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293607213 409147473 /nfs/dbraw/zinc/14/74/73/409147473.db2.gz GIUCNAASJYYCCI-DGCLKSJQSA-N 1 0 308.382 1.284 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@](C)(C[NH3+])C1 ZINC000261663098 163680521 /nfs/dbraw/zinc/68/05/21/163680521.db2.gz IKEFGWDZGAOUTI-OAHLLOKOSA-N 1 0 306.366 1.512 20 5 DDBDRO CC(C)(CCC[NH3+])NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000293765932 409176491 /nfs/dbraw/zinc/17/64/91/409176491.db2.gz YBRSEQDBJJWKRC-UHFFFAOYSA-N 1 0 309.366 1.997 20 5 DDBDRO CN1CC[C@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)[C@@H]1c1ccccc1 ZINC000289367129 409256010 /nfs/dbraw/zinc/25/60/10/409256010.db2.gz JONPTHJYQBQGFJ-HOTGVXAUSA-N 1 0 315.377 1.826 20 5 DDBDRO COc1ccc(C(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000262475054 163834439 /nfs/dbraw/zinc/83/44/39/163834439.db2.gz JNNMJHLGIQCYHA-CMPLNLGQSA-N 1 0 307.350 1.660 20 5 DDBDRO CNc1c(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cccc1[N+](=O)[O-] ZINC000321723613 164045339 /nfs/dbraw/zinc/04/53/39/164045339.db2.gz ZXTUUSQAZQLYMG-CHWSQXEVSA-N 1 0 318.377 1.993 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000408055365 164211324 /nfs/dbraw/zinc/21/13/24/164211324.db2.gz XJTSFUXEVPDZAC-NSHDSACASA-N 1 0 307.354 1.029 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000331536068 409611026 /nfs/dbraw/zinc/61/10/26/409611026.db2.gz PWWSKSKGHUIPHR-JTQLQIEISA-N 1 0 305.334 1.570 20 5 DDBDRO O=C(C[NH2+]C1(CO)CCCC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000305195567 409723950 /nfs/dbraw/zinc/72/39/50/409723950.db2.gz DPGXFIARXVJCRS-UHFFFAOYSA-N 1 0 319.361 1.379 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@H]([NH3+])C1 ZINC000346087014 409770945 /nfs/dbraw/zinc/77/09/45/409770945.db2.gz VDWOOKUSHHUDAG-NSHDSACASA-N 1 0 322.365 1.355 20 5 DDBDRO CC[N@@H+]1CC[C@H]2OCCN(c3nc(C)cc(C)c3[N+](=O)[O-])[C@H]2C1 ZINC000338734768 410033332 /nfs/dbraw/zinc/03/33/32/410033332.db2.gz SZHZXKIUGRLADI-UONOGXRCSA-N 1 0 320.393 1.906 20 5 DDBDRO Cc1n[nH]c(C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000354664320 410003068 /nfs/dbraw/zinc/00/30/68/410003068.db2.gz QLWMGJWPHVGUCC-NXEZZACHSA-N 1 0 309.370 1.619 20 5 DDBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)C1CCN(CCO)CC1 ZINC000357643743 410157255 /nfs/dbraw/zinc/15/72/55/410157255.db2.gz BIFQVUKBLQGNKA-UHFFFAOYSA-N 1 0 307.394 1.526 20 5 DDBDRO CC[NH+](CC)[C@@H](C)CNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000298469961 410246827 /nfs/dbraw/zinc/24/68/27/410246827.db2.gz ZLFOGVQQQJCTIT-LBPRGKRZSA-N 1 0 309.366 1.820 20 5 DDBDRO CCOc1ccc(C(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000351831225 410270779 /nfs/dbraw/zinc/27/07/79/410270779.db2.gz VXYTUTSDYNIOPR-CMPLNLGQSA-N 1 0 307.350 1.803 20 5 DDBDRO C[C@@H]1C[N@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C[C@@H]1O ZINC000351774895 410225167 /nfs/dbraw/zinc/22/51/67/410225167.db2.gz PGFPHEDEWSVUPT-MFKMUULPSA-N 1 0 321.333 1.205 20 5 DDBDRO C[C@@H](c1nncn1C)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000346993222 410296403 /nfs/dbraw/zinc/29/64/03/410296403.db2.gz IRDFXTRYNRDOCV-QWRGUYRKSA-N 1 0 317.353 1.366 20 5 DDBDRO C[NH+](C)C1(CNC(=O)Cn2ccc([N+](=O)[O-])n2)CCCCC1 ZINC000298774350 410393478 /nfs/dbraw/zinc/39/34/78/410393478.db2.gz JYDNNYIVAMUIST-UHFFFAOYSA-N 1 0 309.370 1.172 20 5 DDBDRO C[C@@H]1[C@H](NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CCC[N@@H+]1C ZINC000343427198 410440850 /nfs/dbraw/zinc/44/08/50/410440850.db2.gz DQVDDGJGHLUTHY-ZYHUDNBSSA-N 1 0 309.370 1.125 20 5 DDBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)Nc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000299079969 410511706 /nfs/dbraw/zinc/51/17/06/410511706.db2.gz HAPSXFFRIPEXDP-GHMZBOCLSA-N 1 0 321.381 1.621 20 5 DDBDRO CCn1cc(CN(CCO)Cc2ccccc2[N+](=O)[O-])cn1 ZINC000355576259 410590449 /nfs/dbraw/zinc/59/04/49/410590449.db2.gz ZRXRVBPVQDUJDI-UHFFFAOYSA-N 1 0 304.350 1.806 20 5 DDBDRO CC[C@]1(C(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)CCC[NH2+]1 ZINC000343790770 410701549 /nfs/dbraw/zinc/70/15/49/410701549.db2.gz WVNXCBJDZDWALW-OAHLLOKOSA-N 1 0 307.350 1.752 20 5 DDBDRO C[N@H+](CCCO)C1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000330492131 410725160 /nfs/dbraw/zinc/72/51/60/410725160.db2.gz PEFMTWDGYOOPNH-UHFFFAOYSA-N 1 0 311.338 1.107 20 5 DDBDRO O=[N+]([O-])c1cccnc1N1CCC[C@H]1C[N@H+]1CCC[C@H]1CO ZINC000301530277 410739240 /nfs/dbraw/zinc/73/92/40/410739240.db2.gz KWBFAPNDMVVBMY-STQMWFEESA-N 1 0 306.366 1.415 20 5 DDBDRO CO[C@H]1C[C@@H](CN(C)C(=O)c2cc([N+](=O)[O-])cnc2C)[N@H+](C)C1 ZINC000330515443 410743514 /nfs/dbraw/zinc/74/35/14/410743514.db2.gz FKGTWVYANKUJCM-STQMWFEESA-N 1 0 322.365 1.089 20 5 DDBDRO COC(=O)c1cnc(NCCC2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000302780983 410864199 /nfs/dbraw/zinc/86/41/99/410864199.db2.gz RUPGOLOREJIURG-UHFFFAOYSA-N 1 0 322.365 1.920 20 5 DDBDRO COC(=O)COc1ccc(C[NH2+][C@H](C)CCO)cc1[N+](=O)[O-] ZINC000353242524 410873385 /nfs/dbraw/zinc/87/33/85/410873385.db2.gz ZDGFRAWAGDPASS-SNVBAGLBSA-N 1 0 312.322 1.007 20 5 DDBDRO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CCn3cc([N+](=O)[O-])cn3)[C@@H]2C1 ZINC000344031150 410907391 /nfs/dbraw/zinc/90/73/91/410907391.db2.gz CMILMANXQZXGGA-NWANDNLSSA-N 1 0 321.381 1.028 20 5 DDBDRO C[C@](O)(C[NH2+]CCOc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000579948186 422861590 /nfs/dbraw/zinc/86/15/90/422861590.db2.gz TYTVFIXVSUUPPS-NSHDSACASA-N 1 0 308.256 1.877 20 5 DDBDRO NC(=O)c1cccc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000341722580 411052830 /nfs/dbraw/zinc/05/28/30/411052830.db2.gz OLOKNUXTFQUVRJ-GHMZBOCLSA-N 1 0 304.350 1.732 20 5 DDBDRO C[C@]1(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCC[NH2+]C1 ZINC000129208963 196029152 /nfs/dbraw/zinc/02/91/52/196029152.db2.gz BEYGTMQWFUNQLJ-ZDUSSCGKSA-N 1 0 313.379 1.263 20 5 DDBDRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)Nc3cc(F)cc([N+](=O)[O-])c3)C[C@@H]12 ZINC000415636723 224679590 /nfs/dbraw/zinc/67/95/90/224679590.db2.gz YJEOYJUVYJTGQF-ZEGGKSINSA-N 1 0 308.313 1.935 20 5 DDBDRO C[C@H](NC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000417126740 225219261 /nfs/dbraw/zinc/21/92/61/225219261.db2.gz DZOWEPOGTCGEDA-WCFLWFBJSA-N 1 0 304.350 1.517 20 5 DDBDRO [NH3+]C1(CNC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)CCC1 ZINC000418529351 225783296 /nfs/dbraw/zinc/78/32/96/225783296.db2.gz SXLDCNOJBQCYJG-UHFFFAOYSA-N 1 0 320.349 1.380 20 5 DDBDRO C[C@H]1C[C@H](NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000418594449 225817876 /nfs/dbraw/zinc/81/78/76/225817876.db2.gz FOHIFNMWGFQJKM-WCQYABFASA-N 1 0 306.366 1.877 20 5 DDBDRO Cn1c(C(=O)NCCC[NH2+]C2CCCCC2)ccc1[N+](=O)[O-] ZINC000419913183 226396115 /nfs/dbraw/zinc/39/61/15/226396115.db2.gz YMHYDMNYUBCRGY-UHFFFAOYSA-N 1 0 308.382 1.976 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000420360442 226473337 /nfs/dbraw/zinc/47/33/37/226473337.db2.gz HDQOPAGQOPUWJY-SLEUVZQESA-N 1 0 320.393 1.818 20 5 DDBDRO COc1ccc(OCCN2CC[C@@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC000360572296 418468861 /nfs/dbraw/zinc/46/88/61/418468861.db2.gz XDRJEJKWRMGZOE-MRXNPFEDSA-N 1 0 321.377 1.668 20 5 DDBDRO Cc1[nH]nc(C(=O)Nc2cc(C[NH+](C)C)ccn2)c1[N+](=O)[O-] ZINC000361076742 418578653 /nfs/dbraw/zinc/57/86/53/418578653.db2.gz RNQLSUVUHFFUSE-UHFFFAOYSA-N 1 0 304.310 1.335 20 5 DDBDRO Cc1nn(CCC(=O)NC2(C)CC[NH2+]CC2)c(C)c1[N+](=O)[O-] ZINC000193372106 222153135 /nfs/dbraw/zinc/15/31/35/222153135.db2.gz IERJIZKCZYUNTG-UHFFFAOYSA-N 1 0 309.370 1.057 20 5 DDBDRO C[NH+]1CCC(CNc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000362574525 418756898 /nfs/dbraw/zinc/75/68/98/418756898.db2.gz FROYSZCCYQHWHZ-UHFFFAOYSA-N 1 0 317.349 2.399 20 5 DDBDRO O=C(NC[C@H]1CCC[NH2+]C1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000422765074 227164493 /nfs/dbraw/zinc/16/44/93/227164493.db2.gz QDEIUGGWTXCMSK-NSHDSACASA-N 1 0 314.345 1.872 20 5 DDBDRO Cc1cc(C(=O)N2CCC[N@@H+]([C@@H](C)CO)CC2)ccc1[N+](=O)[O-] ZINC000364937291 418824652 /nfs/dbraw/zinc/82/46/52/418824652.db2.gz QHHFNVAXVFZYLV-ZDUSSCGKSA-N 1 0 321.377 1.432 20 5 DDBDRO O=[N+]([O-])c1ccn(C2CC[NH+](CCO[C@@H]3CCCCO3)CC2)n1 ZINC000365866544 418917393 /nfs/dbraw/zinc/91/73/93/418917393.db2.gz CAOUAOJSMYBBSA-OAHLLOKOSA-N 1 0 324.381 1.971 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCC[C@H]2CCO)c1 ZINC000426254576 419423537 /nfs/dbraw/zinc/42/35/37/419423537.db2.gz DZLRASKILOYYJZ-JSGCOSHPSA-N 1 0 310.350 1.181 20 5 DDBDRO C[NH2+]CCN(C)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000417997817 419460538 /nfs/dbraw/zinc/46/05/38/419460538.db2.gz UJHSPGSCBBHEPK-UHFFFAOYSA-N 1 0 314.773 1.652 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[N@@H+](C(C)C)CC2)n1 ZINC000427448149 419661702 /nfs/dbraw/zinc/66/17/02/419661702.db2.gz FLTHHCVNGUQSHS-UHFFFAOYSA-N 1 0 309.370 1.368 20 5 DDBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000421699027 419685173 /nfs/dbraw/zinc/68/51/73/419685173.db2.gz ABSJOZTUKWHEMM-CYBMUJFWSA-N 1 0 307.350 1.526 20 5 DDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)s1 ZINC000427946455 419772854 /nfs/dbraw/zinc/77/28/54/419772854.db2.gz ORMWJILBIJDMIP-RKDXNWHRSA-N 1 0 317.392 1.029 20 5 DDBDRO [NH3+][C@@H](CNC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)C1CC1 ZINC000418496436 419834432 /nfs/dbraw/zinc/83/44/32/419834432.db2.gz HYUBPUYFBZNXOW-AWEZNQCLSA-N 1 0 320.349 1.105 20 5 DDBDRO COC[C@]1(CNCc2ccc(OC)c([N+](=O)[O-])c2)CCC[NH2+]1 ZINC000414949214 419886232 /nfs/dbraw/zinc/88/62/32/419886232.db2.gz ZEARYYNYGNQRLK-OAHLLOKOSA-N 1 0 309.366 1.462 20 5 DDBDRO C[C@H]1CCC[C@](CNC(=O)Cn2ccc([N+](=O)[O-])n2)([NH+](C)C)C1 ZINC000299271429 229020633 /nfs/dbraw/zinc/02/06/33/229020633.db2.gz JMJZIKCLXXNMLM-WFASDCNBSA-N 1 0 323.397 1.418 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000299470089 229137230 /nfs/dbraw/zinc/13/72/30/229137230.db2.gz BHEQUHMMTZGVCE-CHWSQXEVSA-N 1 0 321.381 1.233 20 5 DDBDRO C[NH+](C)CCNC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000428978320 419957338 /nfs/dbraw/zinc/95/73/38/419957338.db2.gz OMMITUALNUVGDE-UHFFFAOYSA-N 1 0 318.333 1.200 20 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ZINC000415667381 420142498 /nfs/dbraw/zinc/14/24/98/420142498.db2.gz YFCQMGGTEJEYJG-SNVBAGLBSA-N 1 0 308.338 1.819 20 5 DDBDRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000423670445 420120296 /nfs/dbraw/zinc/12/02/96/420120296.db2.gz MHNWXDSBQRCZEL-GWCFXTLKSA-N 1 0 315.333 1.342 20 5 DDBDRO C[C@H]([NH3+])[C@@H]1CCCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000430549474 420133350 /nfs/dbraw/zinc/13/33/50/420133350.db2.gz XUPOKQQAHXXOBS-RWMBFGLXSA-N 1 0 320.393 1.981 20 5 DDBDRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000415487457 420086813 /nfs/dbraw/zinc/08/68/13/420086813.db2.gz GSSPDXBWQOZUQV-LBPRGKRZSA-N 1 0 320.349 1.052 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1CN1CC[N@H+](CCO)[C@@H](C)C1 ZINC000430220352 420091920 /nfs/dbraw/zinc/09/19/20/420091920.db2.gz PONVLIBKROVKEB-LBPRGKRZSA-N 1 0 309.366 1.102 20 5 DDBDRO C[C@@H]1CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H](C)[NH2+]1 ZINC000430922974 420207508 /nfs/dbraw/zinc/20/75/08/420207508.db2.gz BQEUSRRAINNYAC-VXGBXAGGSA-N 1 0 306.366 1.606 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](C)CCCC[NH3+] ZINC000415744020 420160326 /nfs/dbraw/zinc/16/03/26/420160326.db2.gz PCCOGLQLVKGSCS-NSHDSACASA-N 1 0 322.365 1.475 20 5 DDBDRO O=[N+]([O-])c1ccc(-c2noc(NCC[C@H]3CCC[NH2+]3)n2)cc1 ZINC000420239365 420163538 /nfs/dbraw/zinc/16/35/38/420163538.db2.gz OPTJHBAINOFPOO-LLVKDONJSA-N 1 0 303.322 2.199 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000420342577 420222422 /nfs/dbraw/zinc/22/24/22/420222422.db2.gz PPVCPWNJYJZZOW-YPMHNXCESA-N 1 0 304.350 1.135 20 5 DDBDRO C[C@@H]1C[NH2+][C@@H](C)CN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000420406500 420266682 /nfs/dbraw/zinc/26/66/82/420266682.db2.gz UJEHXKMLNPLERA-WDEREUQCSA-N 1 0 317.349 1.827 20 5 DDBDRO Cc1cc(S(=O)(=O)NCC[C@H]2CCC[NH2+]2)ccc1[N+](=O)[O-] ZINC000440796075 229836239 /nfs/dbraw/zinc/83/62/39/229836239.db2.gz BJNKJPUCVQTILX-LLVKDONJSA-N 1 0 313.379 1.324 20 5 DDBDRO COc1ccc(OCCN2C[C@@H](C)[NH2+]C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000420408988 420267838 /nfs/dbraw/zinc/26/78/38/420267838.db2.gz WPNASBKAICUVFO-NEPJUHHUSA-N 1 0 309.366 1.664 20 5 DDBDRO C[C@H](CCC[NH3+])NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000420433280 420282225 /nfs/dbraw/zinc/28/22/25/420282225.db2.gz CMZBIWRMSKSDNY-MRVPVSSYSA-N 1 0 321.786 1.654 20 5 DDBDRO Cc1n[nH]c(C(=O)N[C@H](CCC[NH3+])c2ccccc2)c1[N+](=O)[O-] ZINC000423977001 420288201 /nfs/dbraw/zinc/28/82/01/420288201.db2.gz VIBFOIRICOISME-GFCCVEGCSA-N 1 0 317.349 1.836 20 5 DDBDRO C[NH2+]C[C@H]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430943418 420218050 /nfs/dbraw/zinc/21/80/50/420218050.db2.gz IBAUKWHDANUZTA-LLVKDONJSA-N 1 0 322.365 1.083 20 5 DDBDRO CCc1ccccc1[C@H]([NH3+])CNC(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000423973144 420288900 /nfs/dbraw/zinc/28/89/00/420288900.db2.gz JIXSGQJHFUGMPZ-GFCCVEGCSA-N 1 0 317.349 1.619 20 5 DDBDRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000416296424 420312556 /nfs/dbraw/zinc/31/25/56/420312556.db2.gz NVKSLGUSTQTOLW-QWHCGFSZSA-N 1 0 321.377 1.051 20 5 DDBDRO Nc1c(C(=O)N2CCC[C@H](CC[NH3+])C2)cc(F)cc1[N+](=O)[O-] ZINC000442603882 229928308 /nfs/dbraw/zinc/92/83/08/229928308.db2.gz WRKDEUDWGUTWTD-SECBINFHSA-N 1 0 310.329 1.517 20 5 DDBDRO COc1cc(C(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)cc([N+](=O)[O-])c1C ZINC000424003504 420301447 /nfs/dbraw/zinc/30/14/47/420301447.db2.gz RGTHCTQTSQDOEP-ZWNOBZJWSA-N 1 0 321.377 1.969 20 5 DDBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000420802936 420396564 /nfs/dbraw/zinc/39/65/64/420396564.db2.gz SMTSJETYNHFPAC-AWEZNQCLSA-N 1 0 320.393 1.873 20 5 DDBDRO Cc1ccc(S(=O)(=O)NC[C@@H]2CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000416498437 420396591 /nfs/dbraw/zinc/39/65/91/420396591.db2.gz XHHJLIYHAAYOQX-NSHDSACASA-N 1 0 313.379 1.133 20 5 DDBDRO Cc1ccc(NCCCNC(=O)NCCC[NH3+])c([N+](=O)[O-])c1 ZINC000417719399 420460304 /nfs/dbraw/zinc/46/03/04/420460304.db2.gz PZXVDASLEWHCPH-UHFFFAOYSA-N 1 0 309.370 1.353 20 5 DDBDRO C[C@H]1C[N@H+](CCO)CCN1c1ncnc2sc([N+](=O)[O-])cc21 ZINC000450950243 420569019 /nfs/dbraw/zinc/56/90/19/420569019.db2.gz CHNONMDLMHPDDN-VIFPVBQESA-N 1 0 323.378 1.102 20 5 DDBDRO CC(C)C[C@@H](C[NH3+])NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000440411658 420574661 /nfs/dbraw/zinc/57/46/61/420574661.db2.gz SYRZVBHNXIMOHU-QMMMGPOBSA-N 1 0 307.397 1.308 20 5 DDBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000440450720 420577112 /nfs/dbraw/zinc/57/71/12/420577112.db2.gz YXTZMEAWVWYYBA-LLVKDONJSA-N 1 0 311.363 1.110 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H]2CC[NH2+]C2)c1C ZINC000440841226 420612602 /nfs/dbraw/zinc/61/26/02/420612602.db2.gz CGOLWILLYHMYFW-LLVKDONJSA-N 1 0 313.379 1.099 20 5 DDBDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000457120163 420621518 /nfs/dbraw/zinc/62/15/18/420621518.db2.gz NTUJWDPMLKJMSV-LLVKDONJSA-N 1 0 324.356 1.871 20 5 DDBDRO COCC[C@]1([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCOC1 ZINC000447395726 420770590 /nfs/dbraw/zinc/77/05/90/420770590.db2.gz UCWAVNNUBYFMEA-HNNXBMFYSA-N 1 0 320.349 1.756 20 5 DDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000442767505 420712064 /nfs/dbraw/zinc/71/20/64/420712064.db2.gz RASQXNCCOZMIMB-IJLUTSLNSA-N 1 0 306.366 1.591 20 5 DDBDRO Cc1c(NC(=O)[C@H](C)N2C[C@@H](C[NH3+])C[C@H]2C)cccc1[N+](=O)[O-] ZINC000442792759 420714952 /nfs/dbraw/zinc/71/49/52/420714952.db2.gz QWGUKDPEHZIYHJ-KGYLQXTDSA-N 1 0 320.393 1.899 20 5 DDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCCOCCO)n1 ZINC000447596708 420784725 /nfs/dbraw/zinc/78/47/25/420784725.db2.gz RBJMQKZSPBYTGM-CHWSQXEVSA-N 1 0 312.370 1.264 20 5 DDBDRO CNS(=O)(=O)c1ccc(SCC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000447649354 420790614 /nfs/dbraw/zinc/79/06/14/420790614.db2.gz HNYGWMYMYAUFQQ-UHFFFAOYSA-N 1 0 319.408 1.157 20 5 DDBDRO COc1cc(C[NH2+][C@H](CO)[C@H]2CCCO2)c([N+](=O)[O-])cc1F ZINC000447904353 420812620 /nfs/dbraw/zinc/81/26/20/420812620.db2.gz JVKJTOAYCAUCQW-DGCLKSJQSA-N 1 0 314.313 1.372 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000448058398 420835285 /nfs/dbraw/zinc/83/52/85/420835285.db2.gz NECSRGCREKQWFY-WCQYABFASA-N 1 0 305.382 1.781 20 5 DDBDRO CNc1nc(C(=O)NCC[N@@H+]2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000454735380 420917213 /nfs/dbraw/zinc/91/72/13/420917213.db2.gz KHAWYYBNRWHFIJ-NSHDSACASA-N 1 0 321.381 1.636 20 5 DDBDRO COCCN1CC[C@@H]([NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000449153226 420961807 /nfs/dbraw/zinc/96/18/07/420961807.db2.gz JAPCSHRSDIPTFP-UKRRQHHQSA-N 1 0 307.394 1.836 20 5 DDBDRO [NH3+][C@H]1C[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000479763844 420985701 /nfs/dbraw/zinc/98/57/01/420985701.db2.gz KBKPLPSWMWGZDE-LJGSYFOKSA-N 1 0 305.743 1.016 20 5 DDBDRO C[NH+](C)CCOCCNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000471636418 420936100 /nfs/dbraw/zinc/93/61/00/420936100.db2.gz NAOBWBBDWKHQPS-UHFFFAOYSA-N 1 0 324.381 1.015 20 5 DDBDRO [NH3+]C1CCC(OCC(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000449095949 420948993 /nfs/dbraw/zinc/94/89/93/420948993.db2.gz CUSYVWKYFJUJGS-UHFFFAOYSA-N 1 0 307.350 1.498 20 5 DDBDRO C[C@H]1CN(c2c3ccccc3ncc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000487740064 421047699 /nfs/dbraw/zinc/04/76/99/421047699.db2.gz OISMXIVUYPDMPC-LBPRGKRZSA-N 1 0 316.361 1.646 20 5 DDBDRO CNc1nc(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)ccc1[N+](=O)[O-] ZINC000455657472 421050343 /nfs/dbraw/zinc/05/03/43/421050343.db2.gz MFEZJUZEXLUVAZ-GHMZBOCLSA-N 1 0 319.365 1.340 20 5 DDBDRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000487494259 421030957 /nfs/dbraw/zinc/03/09/57/421030957.db2.gz DDJFZZMCEULKSW-KOLCDFICSA-N 1 0 317.349 1.285 20 5 DDBDRO CNc1nc(C(=O)N2CC[N@H+](C)[C@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000456039694 421092165 /nfs/dbraw/zinc/09/21/65/421092165.db2.gz MVBYDWHFLRVSQS-ZDUSSCGKSA-N 1 0 321.381 1.444 20 5 DDBDRO C[C@@H](C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)S(C)(=O)=O ZINC000560002324 421232723 /nfs/dbraw/zinc/23/27/23/421232723.db2.gz CLGXWSIKABQEAG-HZMBPMFUSA-N 1 0 312.391 1.995 20 5 DDBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NCC[NH+]1CCSCC1 ZINC000491867603 421204436 /nfs/dbraw/zinc/20/44/36/421204436.db2.gz NIIYRKYFRRFZEZ-UTCJRWHESA-N 1 0 321.402 1.773 20 5 DDBDRO Cc1cccc(C(=O)NC[C@]2(O)C[NH+]3CCC2CC3)c1[N+](=O)[O-] ZINC000560508758 421276389 /nfs/dbraw/zinc/27/63/89/421276389.db2.gz WDXVUVDYWIXAHA-INIZCTEOSA-N 1 0 319.361 1.090 20 5 DDBDRO CC(C)[C@H]([NH3+])CNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000561207809 421313777 /nfs/dbraw/zinc/31/37/77/421313777.db2.gz TWSZDXPIEMFKEC-CYBMUJFWSA-N 1 0 306.366 1.646 20 5 DDBDRO Nc1nccc(C(=O)N2CC[NH+](C3CCCC3)CC2)c1[N+](=O)[O-] ZINC000547731129 421360608 /nfs/dbraw/zinc/36/06/08/421360608.db2.gz DYQBCILTTPRQPI-UHFFFAOYSA-N 1 0 319.365 1.272 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000548403849 421433707 /nfs/dbraw/zinc/43/37/07/421433707.db2.gz HDWYBMFEWHFEPW-ZDUSSCGKSA-N 1 0 308.382 1.784 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCC[C@H]2CCCCO2)c1 ZINC000563014137 421440005 /nfs/dbraw/zinc/44/00/05/421440005.db2.gz PSQRPIAVBBPAGC-UONOGXRCSA-N 1 0 312.370 1.091 20 5 DDBDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2ccnc(N)c2[N+](=O)[O-])C1 ZINC000548747913 421469395 /nfs/dbraw/zinc/46/93/95/421469395.db2.gz SSKNYCCSOXBNGV-VHSXEESVSA-N 1 0 307.354 1.175 20 5 DDBDRO C[NH+](C)CCN(Cc1ccccc1)C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000549153396 421496366 /nfs/dbraw/zinc/49/63/66/421496366.db2.gz LPDKMYMXSSZSKE-UHFFFAOYSA-N 1 0 317.349 1.522 20 5 DDBDRO O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)c1c[nH]nc1[N+](=O)[O-] ZINC000549370670 421500356 /nfs/dbraw/zinc/50/03/56/421500356.db2.gz ZYFYAQRZTCAJNI-LBPRGKRZSA-N 1 0 321.381 1.845 20 5 DDBDRO O=C(Nc1ccncc1[N+](=O)[O-])N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000516424829 421545255 /nfs/dbraw/zinc/54/52/55/421545255.db2.gz JRHFIQKLHJMKNE-AWEZNQCLSA-N 1 0 305.338 1.019 20 5 DDBDRO CC[NH+]1C[C@H](C)N(C(=O)c2ccnc(NC)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000566689356 421608232 /nfs/dbraw/zinc/60/82/32/421608232.db2.gz QYSZAEUKNIXCJL-QWRGUYRKSA-N 1 0 321.381 1.586 20 5 DDBDRO C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)C[C@@H](C)C1 ZINC000553785426 421625915 /nfs/dbraw/zinc/62/59/15/421625915.db2.gz ZEFLTRVISQPIRV-SLEUVZQESA-N 1 0 318.377 1.792 20 5 DDBDRO Cc1cc(S(=O)(=O)N2CC[C@H]([NH3+])C[C@H]2C)ccc1[N+](=O)[O-] ZINC000517956402 421634158 /nfs/dbraw/zinc/63/41/58/421634158.db2.gz OGMRRVIDTRSJOW-MNOVXSKESA-N 1 0 313.379 1.404 20 5 DDBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[N@H+](C)C(C)(C)C1 ZINC000556084582 421700244 /nfs/dbraw/zinc/70/02/44/421700244.db2.gz GIGQFUGPQATWFN-LBPRGKRZSA-N 1 0 320.393 1.948 20 5 DDBDRO C[C@H]([NH2+]C[C@H](O)COC1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000519635715 421711605 /nfs/dbraw/zinc/71/16/05/421711605.db2.gz COHKRLRGUDJPNG-WFASDCNBSA-N 1 0 324.377 1.802 20 5 DDBDRO COC(=O)c1cnc(NC[C@H]2CC[N@@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000572090481 421764023 /nfs/dbraw/zinc/76/40/23/421764023.db2.gz LEQJCYNAQOXHNM-SNVBAGLBSA-N 1 0 320.349 1.673 20 5 DDBDRO CC(C)[N@@H+]1CC[C@H](CNc2ccc3ncc([N+](=O)[O-])n3n2)C1 ZINC000572185640 421768663 /nfs/dbraw/zinc/76/86/63/421768663.db2.gz VEGHCHGOZMSKAC-LLVKDONJSA-N 1 0 304.354 1.780 20 5 DDBDRO CCC[N@@H+]1CCC[C@H]1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000521884217 421805064 /nfs/dbraw/zinc/80/50/64/421805064.db2.gz GPNFUUKHNFTCNT-HNNXBMFYSA-N 1 0 321.377 1.964 20 5 DDBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000572882977 421876021 /nfs/dbraw/zinc/87/60/21/421876021.db2.gz WIOLGKUKJJTWTF-MNOVXSKESA-N 1 0 317.349 1.636 20 5 DDBDRO CCOC(=O)c1cc(C(=O)N[C@H](C)C[C@@H](C)[NH3+])cc([N+](=O)[O-])c1 ZINC000573002331 421896902 /nfs/dbraw/zinc/89/69/02/421896902.db2.gz HTRJMSONFVNSJO-NXEZZACHSA-N 1 0 323.349 1.627 20 5 DDBDRO CC(C)(CO)CC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000574400279 422101379 /nfs/dbraw/zinc/10/13/79/422101379.db2.gz OSZMDCNYHADYLD-UHFFFAOYSA-N 1 0 309.366 1.922 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CCC[C@@H]2CCOC2)c1 ZINC000574512523 422122977 /nfs/dbraw/zinc/12/29/77/422122977.db2.gz PRILWZPTDBFIDI-HIFRSBDPSA-N 1 0 324.377 1.741 20 5 DDBDRO CC(C)C[C@H](CNC(=O)c1ccnc(N)c1[N+](=O)[O-])[NH+](C)C ZINC000594295006 422344413 /nfs/dbraw/zinc/34/44/13/422344413.db2.gz ITBXASOCNWFDAS-SNVBAGLBSA-N 1 0 309.370 1.278 20 5 DDBDRO CCCN(C(=O)c1ccnc(NC)c1[N+](=O)[O-])[C@H]1CC[N@H+](C)C1 ZINC000594373842 422347671 /nfs/dbraw/zinc/34/76/71/422347671.db2.gz INSAVPVLOLSJBK-NSHDSACASA-N 1 0 321.381 1.588 20 5 DDBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000577851667 422440748 /nfs/dbraw/zinc/44/07/48/422440748.db2.gz HOZYMJCROVSTPF-IUCAKERBSA-N 1 0 318.333 1.704 20 5 DDBDRO COC(=O)c1ccnc(NCC[C@H]2CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000598629751 422398058 /nfs/dbraw/zinc/39/80/58/422398058.db2.gz PGKAKMFMFBLYJS-LLVKDONJSA-N 1 0 322.365 1.920 20 5 DDBDRO C[C@@H](C[NH+]1CCCCC1)Nc1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000341548208 271114822 /nfs/dbraw/zinc/11/48/22/271114822.db2.gz NBKJRDFWMWFBHI-NSHDSACASA-N 1 0 306.366 1.980 20 5 DDBDRO CCN(CCO)CC[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000344788821 272118789 /nfs/dbraw/zinc/11/87/89/272118789.db2.gz RRZJZMFXZBWULU-SDNWHVSQSA-N 1 0 307.394 1.902 20 5 DDBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@]1(O)CCN(C)C1 ZINC000344869431 272132472 /nfs/dbraw/zinc/13/24/72/272132472.db2.gz RSIKXSZJQXYRFY-WDBUWWRISA-N 1 0 305.378 1.654 20 5 DDBDRO CCCc1n[nH]c(C(=O)N[C@H]2CCC[N@H+](C)[C@H]2C)c1[N+](=O)[O-] ZINC000345282721 272208287 /nfs/dbraw/zinc/20/82/87/272208287.db2.gz GQZPHLHXPBGOES-UWVGGRQHSA-N 1 0 309.370 1.483 20 5 DDBDRO Cn1c(C(=O)N2CCC(C[NH+]3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000345887972 272358522 /nfs/dbraw/zinc/35/85/22/272358522.db2.gz VKRWOBQBMMSDDP-UHFFFAOYSA-N 1 0 320.393 1.881 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000285989939 274004481 /nfs/dbraw/zinc/00/44/81/274004481.db2.gz CPFDUMKQNWKDJJ-SNVBAGLBSA-N 1 0 306.322 1.061 20 5 DDBDRO COC[C@]1(CNC(=O)c2ccc(F)cc2[N+](=O)[O-])CCC[NH2+]1 ZINC000262449778 274052835 /nfs/dbraw/zinc/05/28/35/274052835.db2.gz HQGDANZFYHGHIM-CQSZACIVSA-N 1 0 311.313 1.232 20 5 DDBDRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000286183475 274309277 /nfs/dbraw/zinc/30/92/77/274309277.db2.gz RMHDNWKLRNCMEP-JRKPZEMJSA-N 1 0 322.321 1.619 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCC[NH2+]CC1 ZINC000178891174 274722912 /nfs/dbraw/zinc/72/29/12/274722912.db2.gz BTKKPYBMBPVHEL-UHFFFAOYSA-N 1 0 313.379 1.196 20 5 DDBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1C[C@@](C)(O)C1 ZINC000417358426 533689349 /nfs/dbraw/zinc/68/93/49/533689349.db2.gz TVFYFAKRZAKTFZ-HCKVZZMMSA-N 1 0 307.350 1.815 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCS(=O)(=O)C1)CCC2 ZINC000278354971 275037956 /nfs/dbraw/zinc/03/79/56/275037956.db2.gz ZRIGKXQSKBSKEY-NHYWBVRUSA-N 1 0 324.402 1.997 20 5 DDBDRO CC(C)(C)[C@H]([NH3+])C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000236682265 275530257 /nfs/dbraw/zinc/53/02/57/275530257.db2.gz INLSKGKPXRLJJC-CQSZACIVSA-N 1 0 320.393 1.617 20 5 DDBDRO CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H]1CCNC1=O ZINC000411692357 276121991 /nfs/dbraw/zinc/12/19/91/276121991.db2.gz JZVUSVAGNACHDM-ZDUSSCGKSA-N 1 0 320.349 1.134 20 5 DDBDRO CC[NH+]1CCN([C@H]2CCN(c3nc(C)ccc3[N+](=O)[O-])C2)CC1 ZINC000178217027 276387717 /nfs/dbraw/zinc/38/77/17/276387717.db2.gz GDZHXOQZQJUXPW-AWEZNQCLSA-N 1 0 319.409 1.514 20 5 DDBDRO C[C@@H]1CN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@H](C)[NH2+]1 ZINC000429367433 288021711 /nfs/dbraw/zinc/02/17/11/288021711.db2.gz UCPJFMFJHCHBTR-AOOOYVTPSA-N 1 0 321.333 1.188 20 5 DDBDRO C[C@H](NC(=O)NC[C@](C)(O)C[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000297814665 278244456 /nfs/dbraw/zinc/24/44/56/278244456.db2.gz YXEJHAFIPDPYGS-NHYWBVRUSA-N 1 0 324.381 1.268 20 5 DDBDRO C[C@@H]([NH2+]CCn1cccn1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000112548135 278348937 /nfs/dbraw/zinc/34/89/37/278348937.db2.gz JNXAVZLTFCRBLY-LLVKDONJSA-N 1 0 303.322 1.408 20 5 DDBDRO Cc1noc(CC[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)n1 ZINC000447579928 279252513 /nfs/dbraw/zinc/25/25/13/279252513.db2.gz MNDDHEJLDUTTMX-NEPJUHHUSA-N 1 0 320.353 1.799 20 5 DDBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424299274 279614746 /nfs/dbraw/zinc/61/47/46/279614746.db2.gz SMMXDKLKXLQIPL-BYCMXARLSA-N 1 0 315.377 1.816 20 5 DDBDRO C[NH+](C)[C@@H](CNC(=O)COc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000079694494 280997089 /nfs/dbraw/zinc/99/70/89/280997089.db2.gz LXFCDOJMGMWUPA-AWEZNQCLSA-N 1 0 307.350 1.430 20 5 DDBDRO COC[C@H](CCO)[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447543163 293100957 /nfs/dbraw/zinc/10/09/57/293100957.db2.gz REDOMVRZCDVRCW-XQQFMLRXSA-N 1 0 312.370 1.262 20 5 DDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](C)C[NH+](C)C ZINC000354439000 298438891 /nfs/dbraw/zinc/43/88/91/298438891.db2.gz UUHBKCYQXSVESF-SNVBAGLBSA-N 1 0 322.365 1.162 20 5 DDBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000573611511 304603914 /nfs/dbraw/zinc/60/39/14/304603914.db2.gz TYJUKWAQCCUXMY-NXEZZACHSA-N 1 0 318.337 1.031 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000363097356 300209995 /nfs/dbraw/zinc/20/99/95/300209995.db2.gz STQZSNUHRLPRCE-CYBMUJFWSA-N 1 0 318.377 1.999 20 5 DDBDRO Cc1cc(N2CC[NH+]([C@H]3CCSC3)CC2)ncc1[N+](=O)[O-] ZINC000363925459 300327037 /nfs/dbraw/zinc/32/70/37/300327037.db2.gz XBPSNBGZIUAQFE-LBPRGKRZSA-N 1 0 308.407 1.926 20 5 DDBDRO CCC1(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)COC1 ZINC000574983391 304702546 /nfs/dbraw/zinc/70/25/46/304702546.db2.gz IVVXKVKJAGKYAP-CYBMUJFWSA-N 1 0 310.350 1.351 20 5 DDBDRO O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000368104217 300954464 /nfs/dbraw/zinc/95/44/64/300954464.db2.gz CPHBPCHFANCPHN-ONGXEEELSA-N 1 0 320.305 1.185 20 5 DDBDRO Nc1c(C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cccc1[N+](=O)[O-] ZINC000368484770 301038384 /nfs/dbraw/zinc/03/83/84/301038384.db2.gz ZJPVZJSGECIPBZ-DLOVCJGASA-N 1 0 304.350 1.376 20 5 DDBDRO C[C@H](c1cnccn1)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000369681555 301212182 /nfs/dbraw/zinc/21/21/82/301212182.db2.gz NFDVPRKXKOICIC-LLVKDONJSA-N 1 0 302.338 1.979 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1CN1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000371826071 301503975 /nfs/dbraw/zinc/50/39/75/301503975.db2.gz CYXOEJPIQYUTLX-CYBMUJFWSA-N 1 0 307.398 1.779 20 5 DDBDRO Cc1ccc(C)c(S(=O)(=O)N[C@H](C)[C@@H](C)[NH3+])c1[N+](=O)[O-] ZINC000420435416 301557226 /nfs/dbraw/zinc/55/72/26/301557226.db2.gz GSRNSLLHCNDJBK-NXEZZACHSA-N 1 0 301.368 1.226 20 5 DDBDRO CCN(CC)C(=O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000373241400 301679222 /nfs/dbraw/zinc/67/92/22/301679222.db2.gz FUSBTNYGQURRKR-UHFFFAOYSA-N 1 0 309.370 1.297 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000374601325 301824285 /nfs/dbraw/zinc/82/42/85/301824285.db2.gz FKYYGQGPMWJTNY-ZLKJLUDKSA-N 1 0 319.361 1.803 20 5 DDBDRO COc1cc(C[NH2+][C@H]2CCc3c[nH]nc3C2)c([N+](=O)[O-])cc1O ZINC000376196746 302049501 /nfs/dbraw/zinc/04/95/01/302049501.db2.gz OYZWCNZACRZEHG-NSHDSACASA-N 1 0 318.333 1.679 20 5 DDBDRO CN1CCN(C(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])C[C@@H]1c1ccccc1Cl ZINC000377123228 302146054 /nfs/dbraw/zinc/14/60/54/302146054.db2.gz OPKBEFNHOBRNLD-KWCYVHTRSA-N 1 0 323.780 1.820 20 5 DDBDRO COc1ccc(NC(=O)[C@H](C)N2CC[NH2+][C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000420340587 302383316 /nfs/dbraw/zinc/38/33/16/302383316.db2.gz SVOQWHSFZOKCJM-QWRGUYRKSA-N 1 0 322.365 1.224 20 5 DDBDRO [NH3+]C[C@H]1CC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000420443063 302384979 /nfs/dbraw/zinc/38/49/79/302384979.db2.gz ABKCXAYLASLLTK-JGVFFNPUSA-N 1 0 305.381 1.062 20 5 DDBDRO O=C(CCn1cc([N+](=O)[O-])cn1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000515058824 302763950 /nfs/dbraw/zinc/76/39/50/302763950.db2.gz BWXMJKRIFFOIDZ-STQMWFEESA-N 1 0 321.381 1.030 20 5 DDBDRO C[NH2+]C1CCN(C(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)CC1 ZINC000519640510 302846387 /nfs/dbraw/zinc/84/63/87/302846387.db2.gz CUJGJQSNTKTBTL-UHFFFAOYSA-N 1 0 307.350 1.736 20 5 DDBDRO CC(C)OC1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000534870130 303337753 /nfs/dbraw/zinc/33/77/53/303337753.db2.gz AIQZMHZAENMCQC-UHFFFAOYSA-N 1 0 309.366 1.646 20 5 DDBDRO O=C(c1c[nH]nc1[N+](=O)[O-])N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000548941726 303599597 /nfs/dbraw/zinc/59/95/97/303599597.db2.gz GHMZPOGAGKXWKT-NSHDSACASA-N 1 0 307.354 1.408 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](CO)C(C)C ZINC000359788350 306963440 /nfs/dbraw/zinc/96/34/40/306963440.db2.gz DDPWYHBNZKMKQH-AWEZNQCLSA-N 1 0 309.366 1.838 20 5 DDBDRO C[NH+](C)C[C@@H]1CN(C(=O)[C@H]2CC2[N+](=O)[O-])c2ccccc2O1 ZINC000363880739 307037333 /nfs/dbraw/zinc/03/73/33/307037333.db2.gz XXUYILCFNCAXFZ-NTZNESFSSA-N 1 0 305.334 1.007 20 5 DDBDRO COc1cccc(N2CCC[N@@H+]([C@H](C)CO)CC2)c1[N+](=O)[O-] ZINC000364976288 307055750 /nfs/dbraw/zinc/05/57/50/307055750.db2.gz DNDLKTBZEIFXGP-GFCCVEGCSA-N 1 0 309.366 1.496 20 5 DDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]2C[NH2+]CCC[C@@H]21 ZINC000367654447 307100442 /nfs/dbraw/zinc/10/04/42/307100442.db2.gz WOTQXLMBWBEPCB-NHYWBVRUSA-N 1 0 318.377 1.781 20 5 DDBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1[C@H]2COC[C@H]21 ZINC000367689144 307102298 /nfs/dbraw/zinc/10/22/98/307102298.db2.gz OSHGITIMJCKBHU-FBUXBERBSA-N 1 0 319.361 1.794 20 5 DDBDRO CN(C(=O)[C@H]1C[C@@H]1[N+](=O)[O-])C1CCN(c2cc[nH+]cc2)CC1 ZINC000368929735 307112986 /nfs/dbraw/zinc/11/29/86/307112986.db2.gz IUUBTYVEHXKFDL-KBPBESRZSA-N 1 0 304.350 1.174 20 5 DDBDRO Nc1ccc(C(=O)Nc2cnc3c(c2)C[NH2+]CC3)cc1[N+](=O)[O-] ZINC000378408540 307287775 /nfs/dbraw/zinc/28/77/75/307287775.db2.gz XGENPNFRGKOMBI-UHFFFAOYSA-N 1 0 313.317 1.470 20 5 DDBDRO O=C(c1ccc([N+](=O)[O-])cn1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000378502236 307290159 /nfs/dbraw/zinc/29/01/59/307290159.db2.gz VDMJLARRSVYWDA-CYBMUJFWSA-N 1 0 304.350 1.594 20 5 DDBDRO O=C(Nc1ccncc1[N+](=O)[O-])N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000516424830 307415695 /nfs/dbraw/zinc/41/56/95/307415695.db2.gz JRHFIQKLHJMKNE-CQSZACIVSA-N 1 0 305.338 1.019 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N(C)[C@H]2CC[NH2+]C2)c1 ZINC000522000190 307473888 /nfs/dbraw/zinc/47/38/88/307473888.db2.gz LBSRPTOJNVDBKL-NSHDSACASA-N 1 0 313.379 1.194 20 5 DDBDRO CC[NH+](CC)CCN(CC(C)C)C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000548411971 307767558 /nfs/dbraw/zinc/76/75/58/307767558.db2.gz UREXJNYLHJVVJS-UHFFFAOYSA-N 1 0 311.386 1.758 20 5 DDBDRO CCC([NH3+])(CC)CNC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000564186846 307993243 /nfs/dbraw/zinc/99/32/43/307993243.db2.gz AICNEZJSBQJKLS-UHFFFAOYSA-N 1 0 324.381 1.790 20 5 DDBDRO C[C@@H](CCCO)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000564500264 307998339 /nfs/dbraw/zinc/99/83/39/307998339.db2.gz ZGAPFUKTSFSKPX-NSHDSACASA-N 1 0 316.379 1.119 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000565711099 308037684 /nfs/dbraw/zinc/03/76/84/308037684.db2.gz INODQHCKJUNDKM-SNVBAGLBSA-N 1 0 315.333 1.397 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@H]2CCC[C@@H](O)C2)c1 ZINC000565893120 308038449 /nfs/dbraw/zinc/03/84/49/308038449.db2.gz WNRUSISXCNBULR-NWANDNLSSA-N 1 0 324.377 1.475 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CCC1(CO)CC1 ZINC000566068318 308042315 /nfs/dbraw/zinc/04/23/15/308042315.db2.gz CNJMNWYTGSVYPD-LBPRGKRZSA-N 1 0 310.350 1.087 20 5 DDBDRO COc1ccc(CC(=O)N(C)C[C@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000566731964 308062348 /nfs/dbraw/zinc/06/23/48/308062348.db2.gz UQKLHUILXNFELE-CYBMUJFWSA-N 1 0 321.377 1.699 20 5 DDBDRO O=C(CC[NH2+]CCn1cc([N+](=O)[O-])cn1)Nc1ccccc1 ZINC000567687757 308090481 /nfs/dbraw/zinc/09/04/81/308090481.db2.gz AYYBHCYXRZJHMQ-UHFFFAOYSA-N 1 0 303.322 1.410 20 5 DDBDRO COc1ccc(C(=O)N2[C@@H]3CC[C@H]2CC[N@@H+](C)C3)cc1[N+](=O)[O-] ZINC000567718523 308092227 /nfs/dbraw/zinc/09/22/27/308092227.db2.gz DJVZJGAIECRGOF-QWHCGFSZSA-N 1 0 319.361 1.912 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000567925948 308100265 /nfs/dbraw/zinc/10/02/65/308100265.db2.gz YKWCWOVYDGZCKM-AWEZNQCLSA-N 1 0 320.393 1.784 20 5 DDBDRO O=C(c1c[nH]nc1[N+](=O)[O-])N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000571263526 308192809 /nfs/dbraw/zinc/19/28/09/308192809.db2.gz FLZDGTPQOAMEIC-MFKMUULPSA-N 1 0 319.365 1.407 20 5 DDBDRO C[C@H](C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)Oc1ccccc1 ZINC000574033906 308259248 /nfs/dbraw/zinc/25/92/48/308259248.db2.gz UPEHZCCUJSBVAU-TZMCWYRMSA-N 1 0 320.349 1.209 20 5 DDBDRO O=C(NCCC[C@H]1CCC[NH2+]1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000576458429 308315904 /nfs/dbraw/zinc/31/59/04/308315904.db2.gz YJBSXLWVJJWNPH-SNVBAGLBSA-N 1 0 321.333 1.586 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CC1CCOCC1 ZINC000577741709 308411213 /nfs/dbraw/zinc/41/12/13/308411213.db2.gz XVPVYUNWFVSRLH-CYBMUJFWSA-N 1 0 310.350 1.351 20 5 DDBDRO CNC(=O)CCC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000579430650 308530111 /nfs/dbraw/zinc/53/01/11/308530111.db2.gz PATFYSMCNGXZIM-UHFFFAOYSA-N 1 0 306.366 1.243 20 5 DDBDRO CC1(C)CN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC[NH2+]1 ZINC000580639009 308619492 /nfs/dbraw/zinc/61/94/92/308619492.db2.gz BATXLAWYAPJZKK-UHFFFAOYSA-N 1 0 307.306 1.148 20 5 DDBDRO O=C(CC[NH2+][C@H](CO)CC(F)F)Nc1ccccc1[N+](=O)[O-] ZINC000582122764 325975047 /nfs/dbraw/zinc/97/50/47/325975047.db2.gz YXZMVHUGQQZLHZ-VIFPVBQESA-N 1 0 317.292 1.529 20 5 DDBDRO COCCN1CC[C@@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000582795785 337169039 /nfs/dbraw/zinc/16/90/39/337169039.db2.gz AYEUKEDAFNURSV-DOMZBBRYSA-N 1 0 305.378 1.892 20 5 DDBDRO C[C@@]1(CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CCC[NH2+]C1 ZINC000584405144 337320049 /nfs/dbraw/zinc/32/00/49/337320049.db2.gz CKVYBQSLYLYICZ-OAHLLOKOSA-N 1 0 321.333 1.443 20 5 DDBDRO C[C@@]1(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC[NH2+]C1 ZINC000230736226 484170192 /nfs/dbraw/zinc/17/01/92/484170192.db2.gz ZHLHDLVBGVJRKT-LLVKDONJSA-N 1 0 319.770 1.279 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H](CO)[C@H]1C ZINC000488805474 484218368 /nfs/dbraw/zinc/21/83/68/484218368.db2.gz SUJWOHPLVDOQEA-OLZOCXBDSA-N 1 0 321.377 1.935 20 5 DDBDRO C[C@H]1CN(CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@]1(C)CO ZINC000595875515 490372148 /nfs/dbraw/zinc/37/21/48/490372148.db2.gz QIPYMBLZMCVMNE-XHDPSFHLSA-N 1 0 307.350 1.484 20 5 DDBDRO C[C@H]([NH2+]CCN1C(=O)N[C@H](C)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000459481247 533857512 /nfs/dbraw/zinc/85/75/12/533857512.db2.gz APDKVXYWDNWQSC-VHSXEESVSA-N 1 0 306.322 1.186 20 5 DDBDRO Cc1ccc(C[NH+]2CCC3(COC(=O)N3)CC2)cc1[N+](=O)[O-] ZINC000495048061 533919733 /nfs/dbraw/zinc/91/97/33/533919733.db2.gz MTLHPRJCNRZHRQ-UHFFFAOYSA-N 1 0 305.334 1.978 20 5 DDBDRO C[C@@H]1CCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)C[C@@H]1C[NH3+] ZINC000417233227 533967247 /nfs/dbraw/zinc/96/72/47/533967247.db2.gz NXJQMCQVDADLAD-OCCSQVGLSA-N 1 0 320.393 1.764 20 5 DDBDRO C[C@@H](CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)C[NH+](C)C ZINC000292712068 534070595 /nfs/dbraw/zinc/07/05/95/534070595.db2.gz RHYUTXMTFQVKNC-NSHDSACASA-N 1 0 315.395 1.212 20 5 DDBDRO NC(=O)c1cccc([N+](=O)[O-])c1NCCC[NH+]1CCCCC1 ZINC000420586898 534500979 /nfs/dbraw/zinc/50/09/79/534500979.db2.gz OTKBTUIGVOKVRE-UHFFFAOYSA-N 1 0 306.366 1.982 20 5 DDBDRO [NH3+][C@H]1CCC[C@H](CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000417212704 534725582 /nfs/dbraw/zinc/72/55/82/534725582.db2.gz BFCZVMRUAVAYRO-KBPBESRZSA-N 1 0 320.393 1.954 20 5 DDBDRO CC1(C)OCC[C@@H]1[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000295218713 527802865 /nfs/dbraw/zinc/80/28/65/527802865.db2.gz MXRIYJCDWKSVCI-RISCZKNCSA-N 1 0 310.350 1.492 20 5 DDBDRO CCO[C@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C[C@@H]1C ZINC000451522228 528060779 /nfs/dbraw/zinc/06/07/79/528060779.db2.gz AWNKHJSKUMDDHU-JSGCOSHPSA-N 1 0 309.366 1.503 20 5 DDBDRO CC(C)c1ccc([C@@H]([NH3+])CNC(=O)c2cc([N+](=O)[O-])n[nH]2)cc1 ZINC000422798391 528134561 /nfs/dbraw/zinc/13/45/61/528134561.db2.gz QXBIFSDJYYNWKX-LBPRGKRZSA-N 1 0 317.349 1.871 20 5 DDBDRO CC[NH2+]CCNC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000418329746 528309421 /nfs/dbraw/zinc/30/94/21/528309421.db2.gz VCYMJXISTUGBJJ-UHFFFAOYSA-N 1 0 321.381 1.036 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000457384852 528610361 /nfs/dbraw/zinc/61/03/61/528610361.db2.gz UQQWEPFFLQJYGD-NWDGAFQWSA-N 1 0 319.361 1.675 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]([NH3+])[C@H]2C)c1 ZINC000297331155 528611132 /nfs/dbraw/zinc/61/11/32/528611132.db2.gz HTFWPIINSQPNTM-ZWNOBZJWSA-N 1 0 307.350 1.945 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000422871551 528611901 /nfs/dbraw/zinc/61/19/01/528611901.db2.gz ZBUSCAJKXADDJF-MFKMUULPSA-N 1 0 307.350 1.851 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@@H]([NH2+]C)C1 ZINC000422773685 528691793 /nfs/dbraw/zinc/69/17/93/528691793.db2.gz UPAXFPYAUOBGQK-LLVKDONJSA-N 1 0 307.350 1.818 20 5 DDBDRO CC1(C)CCC[N@H+](CCNC(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000330956730 528934077 /nfs/dbraw/zinc/93/40/77/528934077.db2.gz HTCGXLBRVDLEHQ-UHFFFAOYSA-N 1 0 309.370 1.030 20 5 DDBDRO C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CC[N@@H+]1C ZINC000820664756 599589640 /nfs/dbraw/zinc/58/96/40/599589640.db2.gz BQDHMOSQSCXTNL-UWVGGRQHSA-N 1 0 317.353 1.670 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[C@H](C[NH3+])C2)c1C ZINC000050246564 696229744 /nfs/dbraw/zinc/22/97/44/696229744.db2.gz GUDQDHXNTHEJCQ-LLVKDONJSA-N 1 0 313.379 1.181 20 5 DDBDRO CC(C)C[NH+]1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000054104975 696272698 /nfs/dbraw/zinc/27/26/98/696272698.db2.gz JKSXTNUKJLBFIT-UHFFFAOYSA-N 1 0 306.366 1.591 20 5 DDBDRO CC(C)N1CC[C@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000747815152 700087573 /nfs/dbraw/zinc/08/75/73/700087573.db2.gz GIZBCLYQPFHWNH-UONOGXRCSA-N 1 0 307.350 1.227 20 5 DDBDRO COc1ccc(CN(C)[C@@H]2CCCCNC2=O)cc1[N+](=O)[O-] ZINC000105613015 696624051 /nfs/dbraw/zinc/62/40/51/696624051.db2.gz HAYSAKDHCRWCPX-GFCCVEGCSA-N 1 0 307.350 1.704 20 5 DDBDRO COC[C@@H](O)C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000130233978 696796171 /nfs/dbraw/zinc/79/61/71/696796171.db2.gz LANASAZDDMFUGR-VHDGCEQUSA-N 1 0 308.378 1.903 20 5 DDBDRO C[NH+]1CCC(ONC(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000773546586 697777145 /nfs/dbraw/zinc/77/71/45/697777145.db2.gz NMCUVAJXWHMSEE-UHFFFAOYSA-N 1 0 312.301 1.072 20 5 DDBDRO O=C(CC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)N1CCCCC1 ZINC000749678302 700176286 /nfs/dbraw/zinc/17/62/86/700176286.db2.gz RDFHMZXFSCECDB-OAHLLOKOSA-N 1 0 321.377 1.620 20 5 DDBDRO C[C@H]1C[C@H](NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC[NH2+]1 ZINC000235671090 697794174 /nfs/dbraw/zinc/79/41/74/697794174.db2.gz JFFYUFIRNHYFPD-DTWKUNHWSA-N 1 0 317.342 1.153 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)OCCC[NH+]1CCCCC1 ZINC000800151931 700194873 /nfs/dbraw/zinc/19/48/73/700194873.db2.gz UBNOVTSHGCIPCV-UHFFFAOYSA-N 1 0 324.381 1.909 20 5 DDBDRO C[C@H](CN1CCCC1=O)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776278215 698091580 /nfs/dbraw/zinc/09/15/80/698091580.db2.gz SJBCAGWSNDFKAS-BXUZGUMPSA-N 1 0 307.350 1.229 20 5 DDBDRO CC[C@H](CO)[NH+]1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776589156 698123002 /nfs/dbraw/zinc/12/30/02/698123002.db2.gz PQXRKPRRYPZSIK-GDBMZVCRSA-N 1 0 323.393 1.017 20 5 DDBDRO COC(=O)C[C@@H]1CCC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776590913 698123627 /nfs/dbraw/zinc/12/36/27/698123627.db2.gz MFRSJDQBNAWYMN-UONOGXRCSA-N 1 0 308.334 1.656 20 5 DDBDRO COC(=O)[C@@H]1C[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000776590436 698123828 /nfs/dbraw/zinc/12/38/28/698123828.db2.gz DNNCWUIJMPFJST-LERXQTSPSA-N 1 0 308.334 1.369 20 5 DDBDRO COCCO[C@H]1CCC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776594004 698124368 /nfs/dbraw/zinc/12/43/68/698124368.db2.gz QQMCHLJJVMRAAH-JKSUJKDBSA-N 1 0 324.377 1.756 20 5 DDBDRO Cn1ccnc1[C@@H]1C[NH2+]CCN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000261714261 698434152 /nfs/dbraw/zinc/43/41/52/698434152.db2.gz HPXUHBAGJZVRQP-AWEZNQCLSA-N 1 0 319.340 1.614 20 5 DDBDRO C[C@@]1(CO)C[C@H](O)CN1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000704676951 699237946 /nfs/dbraw/zinc/23/79/46/699237946.db2.gz BLUNENGNZDEQNR-GWCFXTLKSA-N 1 0 300.742 1.566 20 5 DDBDRO CC(C)c1ccc(C[NH2+]C[C@H]2CC(C(N)=O)=NO2)cc1[N+](=O)[O-] ZINC000788434861 699313720 /nfs/dbraw/zinc/31/37/20/699313720.db2.gz UTFNUTTVNUHDOQ-LLVKDONJSA-N 1 0 320.349 1.438 20 5 DDBDRO C[C@H]([NH2+]C[C@]1(CCO)CCOC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788630900 699329025 /nfs/dbraw/zinc/32/90/25/699329025.db2.gz JPAGVYZOXREPCO-NHYWBVRUSA-N 1 0 309.366 1.617 20 5 DDBDRO C[C@H]([NH2+][C@@H](C)[C@H]1CN(C)CCO1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788670292 699332992 /nfs/dbraw/zinc/33/29/92/699332992.db2.gz IPOLCOBCHILGPV-ZIBATOQPSA-N 1 0 308.382 1.547 20 5 DDBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000801902831 700351472 /nfs/dbraw/zinc/35/14/72/700351472.db2.gz KHVPYZPFEOGGCR-JTQLQIEISA-N 1 0 324.356 1.920 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[N@H+](C)[C@@H](C)C1 ZINC000761076617 700840169 /nfs/dbraw/zinc/84/01/69/700840169.db2.gz HXNGGVZQCFUJEI-ZDUSSCGKSA-N 1 0 320.393 1.868 20 5 DDBDRO Cc1c(NC(=O)CC[NH2+][C@H](CO)C2CC2)cccc1[N+](=O)[O-] ZINC000763089596 700925182 /nfs/dbraw/zinc/92/51/82/700925182.db2.gz YVPZFSRMRCMYHO-CYBMUJFWSA-N 1 0 307.350 1.592 20 5 DDBDRO CN(C)c1ncccc1C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000808386559 701516131 /nfs/dbraw/zinc/51/61/31/701516131.db2.gz AUXKKGNPTHLJRX-HNNXBMFYSA-N 1 0 316.361 1.879 20 5 DDBDRO C[C@@H](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC000839695428 701787964 /nfs/dbraw/zinc/78/79/64/701787964.db2.gz GJWILUUPBGGFFF-NWANDNLSSA-N 1 0 305.378 1.678 20 5 DDBDRO C[C@H](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC000839695426 701788028 /nfs/dbraw/zinc/78/80/28/701788028.db2.gz GJWILUUPBGGFFF-BPLDGKMQSA-N 1 0 305.378 1.678 20 5 DDBDRO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000839703453 701790460 /nfs/dbraw/zinc/79/04/60/701790460.db2.gz DLTNIGJPYKEMCF-RRFJBIMHSA-N 1 0 303.362 1.385 20 5 DDBDRO C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC1 ZINC000839728003 701799686 /nfs/dbraw/zinc/79/96/86/701799686.db2.gz GPRRFFZZKPYYDM-OAGGEKHMSA-N 1 0 317.389 1.678 20 5 DDBDRO C[C@]([NH3+])(C(=O)NC[C@]1(C)CC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000867984663 701874312 /nfs/dbraw/zinc/87/43/12/701874312.db2.gz MYWYKBUTQKZUJV-QWHCGFSZSA-N 1 0 313.304 1.930 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000868149073 701965353 /nfs/dbraw/zinc/96/53/53/701965353.db2.gz SWIGQOZYYJLNSN-WCQYABFASA-N 1 0 320.349 1.962 20 5 DDBDRO COC[C@]1(C)CC[N@H+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C1 ZINC000840104485 701970091 /nfs/dbraw/zinc/97/00/91/701970091.db2.gz MXELWQHNTFIAFV-OAHLLOKOSA-N 1 0 319.365 1.964 20 5 DDBDRO C[C@](CO)([NH2+]CCC1OCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000879274638 706637060 /nfs/dbraw/zinc/63/70/60/706637060.db2.gz SFWMKRJDCWKVIT-OAHLLOKOSA-N 1 0 310.350 1.545 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NOC1CC[NH+](C)CC1 ZINC000816533835 702108441 /nfs/dbraw/zinc/10/84/41/702108441.db2.gz LJMGGAWMOINJEM-UHFFFAOYSA-N 1 0 309.322 1.359 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000817492517 702391144 /nfs/dbraw/zinc/39/11/44/702391144.db2.gz XTECNXXHWMGKQT-ZDUSSCGKSA-N 1 0 320.393 1.827 20 5 DDBDRO [NH3+][C@@H]1CCCN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000841856135 702589900 /nfs/dbraw/zinc/58/99/00/702589900.db2.gz NTMLCROKZOIPAO-SNVBAGLBSA-N 1 0 312.757 1.881 20 5 DDBDRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1c1ccc([N+](=O)[O-])c2nonc21 ZINC000842046639 702663426 /nfs/dbraw/zinc/66/34/26/702663426.db2.gz FTNOBBLOPYTYCA-UWVGGRQHSA-N 1 0 321.337 1.022 20 5 DDBDRO C[NH2+]CCN(C)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000842473988 702725051 /nfs/dbraw/zinc/72/50/51/702725051.db2.gz ZGZQULJHCZZVQP-UHFFFAOYSA-N 1 0 300.746 1.338 20 5 DDBDRO Cc1c(NC(=O)C(=O)NCCCCCC[NH3+])cccc1[N+](=O)[O-] ZINC000843051070 702808442 /nfs/dbraw/zinc/80/84/42/702808442.db2.gz XGBMWDHCXFCTHE-UHFFFAOYSA-N 1 0 322.365 1.477 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@H]2CCCCN2CCO)cc1 ZINC000843091206 702817234 /nfs/dbraw/zinc/81/72/34/702817234.db2.gz AJAIEGNGVUMJEQ-HZPDHXFCSA-N 1 0 323.393 1.065 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@H](O)c2ccccn2)cc1 ZINC000843096795 702818473 /nfs/dbraw/zinc/81/84/73/702818473.db2.gz VCJHHXXQZZVSNR-CABCVRRESA-N 1 0 303.318 1.346 20 5 DDBDRO COc1cc(Cc2noc(C[C@H]3CCC[NH2+]3)n2)ccc1[N+](=O)[O-] ZINC000843192482 702838304 /nfs/dbraw/zinc/83/83/04/702838304.db2.gz WBHUCFMFMIXFDM-LLVKDONJSA-N 1 0 318.333 1.872 20 5 DDBDRO Nc1ccc(C(=O)N[C@@H]2CC[NH2+]C3(CCC3)C2)cc1[N+](=O)[O-] ZINC000843505316 702896655 /nfs/dbraw/zinc/89/66/55/702896655.db2.gz JLOJMLVMOQBGHN-LLVKDONJSA-N 1 0 304.350 1.582 20 5 DDBDRO C[N@@H+]1CCN(Cn2cc([N+](=O)[O-])cn2)[C@@H](Cc2ccccc2)C1 ZINC000844740157 703066597 /nfs/dbraw/zinc/06/65/97/703066597.db2.gz INNXDEZEDNUMSC-HNNXBMFYSA-N 1 0 315.377 1.608 20 5 DDBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@@H](N)CC[NH+](C)C)CC2 ZINC000846682970 703316285 /nfs/dbraw/zinc/31/62/85/703316285.db2.gz VOZALBGXFCBKIO-LBPRGKRZSA-N 1 0 306.366 1.071 20 5 DDBDRO Nc1ccc(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000848350703 703541843 /nfs/dbraw/zinc/54/18/43/703541843.db2.gz SJYDPIRJNICHTI-KBPBESRZSA-N 1 0 318.377 1.924 20 5 DDBDRO Nc1ccc(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000848350707 703541857 /nfs/dbraw/zinc/54/18/57/703541857.db2.gz SJYDPIRJNICHTI-UONOGXRCSA-N 1 0 318.377 1.924 20 5 DDBDRO Nc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000848353159 703542303 /nfs/dbraw/zinc/54/23/03/703542303.db2.gz YIITWRMBONOIPY-CHWSQXEVSA-N 1 0 319.365 1.319 20 5 DDBDRO O=[N+]([O-])c1ccc2[nH]cc(CCNC3=[NH+]CCCCN3)c2c1 ZINC000849216593 703625237 /nfs/dbraw/zinc/62/52/37/703625237.db2.gz LPCHCTKYSCTXNI-UHFFFAOYSA-N 1 0 301.350 1.948 20 5 DDBDRO O=[N+]([O-])c1cccc(C[NH2+]CC[S@@](=O)CC(F)(F)F)c1 ZINC000850349458 703726172 /nfs/dbraw/zinc/72/61/72/703726172.db2.gz FQWZYVWCTHLULS-HXUWFJFHSA-N 1 0 310.297 1.995 20 5 DDBDRO COC(=O)N(C)CC[NH2+]Cc1cc(OC)c(O)cc1[N+](=O)[O-] ZINC000850389974 703729014 /nfs/dbraw/zinc/72/90/14/703729014.db2.gz MNJZJJLATLGPAW-UHFFFAOYSA-N 1 0 313.310 1.097 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H](O)c1cnn(C)c1 ZINC000850438084 703731200 /nfs/dbraw/zinc/73/12/00/703731200.db2.gz SMQKRVHHXJMUOR-YGRLFVJLSA-N 1 0 320.349 1.721 20 5 DDBDRO CCO[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1F)C[NH+](C)C ZINC000831719756 706761949 /nfs/dbraw/zinc/76/19/49/706761949.db2.gz UGUDMXBPSCTGQQ-LLVKDONJSA-N 1 0 313.329 1.430 20 5 DDBDRO Cc1c(C(=O)N2C[C@H](C[NH3+])C[C@@H]2C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000818563455 703926638 /nfs/dbraw/zinc/92/66/38/703926638.db2.gz MJNYUULYAYUBAD-WPRPVWTQSA-N 1 0 322.321 1.621 20 5 DDBDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000818564232 703927092 /nfs/dbraw/zinc/92/70/92/703927092.db2.gz YHECSAOEUUFXTE-BDAKNGLRSA-N 1 0 308.294 1.312 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000818972941 704039194 /nfs/dbraw/zinc/03/91/94/704039194.db2.gz PHWLLUZTRRYJAF-LRDDRELGSA-N 1 0 305.378 1.702 20 5 DDBDRO CC(C)N1CC[C@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1=O ZINC000819072431 704065304 /nfs/dbraw/zinc/06/53/04/704065304.db2.gz LIWLAENWAZPNHM-UONOGXRCSA-N 1 0 307.350 1.227 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2CCc3n[nH]cc3C2)c1 ZINC000819169608 704080269 /nfs/dbraw/zinc/08/02/69/704080269.db2.gz NICZOIJKJJZWJR-IUODEOHRSA-N 1 0 302.334 1.498 20 5 DDBDRO CN(C)c1cccc(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC000819188926 704083778 /nfs/dbraw/zinc/08/37/78/704083778.db2.gz BSTMLJBRYIWHSD-OAHLLOKOSA-N 1 0 316.361 1.879 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H]2CCN(CC(F)F)C2)cc1 ZINC000819378251 704116829 /nfs/dbraw/zinc/11/68/29/704116829.db2.gz XWMUMQGURHXTRV-WCQYABFASA-N 1 0 315.320 1.557 20 5 DDBDRO [NH3+]C[C@H]1CC(C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)=NO1 ZINC000852895143 704164520 /nfs/dbraw/zinc/16/45/20/704164520.db2.gz YGJHIEGCJIBKAE-CYBMUJFWSA-N 1 0 318.333 1.189 20 5 DDBDRO C[N@H+](C[C@@H]1CCOC1)Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853501844 704251743 /nfs/dbraw/zinc/25/17/43/704251743.db2.gz LOFQJDJTPMISRR-LBPRGKRZSA-N 1 0 317.349 1.779 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(N2CCC(CO)([NH2+]CC(C)C)CC2)n1 ZINC000853661119 704295010 /nfs/dbraw/zinc/29/50/10/704295010.db2.gz PSUZVZSNTZRLCD-UHFFFAOYSA-N 1 0 322.409 1.875 20 5 DDBDRO CC(C)C[C@H](C[NH3+])Cc1nc(-c2c([N+](=O)[O-])ncn2C)no1 ZINC000854153404 704363065 /nfs/dbraw/zinc/36/30/65/704363065.db2.gz LAWYAUAJPPRWTO-VIFPVBQESA-N 1 0 308.342 1.542 20 5 DDBDRO C[N@@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000854643237 704431909 /nfs/dbraw/zinc/43/19/09/704431909.db2.gz SEOIQYUICYJEOH-STQMWFEESA-N 1 0 313.398 1.144 20 5 DDBDRO [NH3+]C1(CNC(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000857765520 704622139 /nfs/dbraw/zinc/62/21/39/704622139.db2.gz BOJJRTOOTZVOFX-UHFFFAOYSA-N 1 0 315.276 1.564 20 5 DDBDRO O=C(CC[N@@H+]1C[C@@H]2COC(=O)[C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000860162489 705120289 /nfs/dbraw/zinc/12/02/89/705120289.db2.gz ZLBSPXZDPYIECW-ZWNOBZJWSA-N 1 0 319.317 1.028 20 5 DDBDRO CC(=O)NC[C@@H]1CCCC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000860176336 705123346 /nfs/dbraw/zinc/12/33/46/705123346.db2.gz CWPPCGXTUCIRBD-JKSUJKDBSA-N 1 0 321.377 1.619 20 5 DDBDRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000874843456 705198639 /nfs/dbraw/zinc/19/86/39/705198639.db2.gz NMZLDTOULMOHFI-CABCVRRESA-N 1 0 318.377 1.702 20 5 DDBDRO CC[NH+](CC)CCCNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000823591050 705274369 /nfs/dbraw/zinc/27/43/69/705274369.db2.gz KXJPYVHPLKTWTD-AWEZNQCLSA-N 1 0 309.366 1.476 20 5 DDBDRO C[NH+](C)C[C@H]1CCN(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000823962288 705345819 /nfs/dbraw/zinc/34/58/19/705345819.db2.gz QUJRISVCZYZCPB-SNVBAGLBSA-N 1 0 307.354 1.592 20 5 DDBDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823994003 705350647 /nfs/dbraw/zinc/35/06/47/705350647.db2.gz MXFJQKBJVQPSCA-NSHDSACASA-N 1 0 321.381 1.983 20 5 DDBDRO C[C@H]1C[N@H+](CCO)CCN1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000825338834 705649478 /nfs/dbraw/zinc/64/94/78/705649478.db2.gz VEKDLSISGNKVHT-NSHDSACASA-N 1 0 313.785 1.747 20 5 DDBDRO CN(CC[N@H+](C)CCO)C(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000825526993 705687872 /nfs/dbraw/zinc/68/78/72/705687872.db2.gz KVCMCOYSMUXBHL-GJZGRUSLSA-N 1 0 321.377 1.081 20 5 DDBDRO C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000876564688 705760173 /nfs/dbraw/zinc/76/01/73/705760173.db2.gz UIYUFTNSJRKBNP-FKZRYSJHSA-N 1 0 318.377 1.535 20 5 DDBDRO C[C@@H](CN1CCCCC1)[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000876926925 705927251 /nfs/dbraw/zinc/92/72/51/705927251.db2.gz LFEGAPDSTYYHFX-HSBZDZAISA-N 1 0 307.398 1.959 20 5 DDBDRO C[C@H]([NH3+])CN(C)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000863565795 705959076 /nfs/dbraw/zinc/95/90/76/705959076.db2.gz VCPKRYUDHQQLNZ-QMMMGPOBSA-N 1 0 300.746 1.466 20 5 DDBDRO CN1CC[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000877020022 705960728 /nfs/dbraw/zinc/96/07/28/705960728.db2.gz WFSKDRYKHFWNPC-CYBMUJFWSA-N 1 0 305.382 1.252 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc([N+](=O)[O-])c3N)CC[C@@H]21 ZINC000827313254 705973339 /nfs/dbraw/zinc/97/33/39/705973339.db2.gz YVPSQBRDAZHKJP-PWSUYJOCSA-N 1 0 304.350 1.343 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000827320515 705974981 /nfs/dbraw/zinc/97/49/81/705974981.db2.gz RZBLQYDYIYZJMY-YGRLFVJLSA-N 1 0 307.325 1.900 20 5 DDBDRO C[N@@H+]1CC[C@H]2CN(C(=O)c3cc(F)cc([N+](=O)[O-])c3N)CC[C@@H]21 ZINC000827338033 705979537 /nfs/dbraw/zinc/97/95/37/705979537.db2.gz NADCRRXYAWFPCD-CABZTGNLSA-N 1 0 322.340 1.482 20 5 DDBDRO O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)c1ccc([N+](=O)[O-])cc1 ZINC000877335259 706068270 /nfs/dbraw/zinc/06/82/70/706068270.db2.gz AHSWUHJNCWISSK-AWEZNQCLSA-N 1 0 319.361 1.483 20 5 DDBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CC[C@@H](O)[C@@H](O)C2)o1 ZINC000877748515 706197734 /nfs/dbraw/zinc/19/77/34/706197734.db2.gz DHTBBFVJWPXXHM-CABCVRRESA-N 1 0 318.329 1.782 20 5 DDBDRO C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000864616153 706214074 /nfs/dbraw/zinc/21/40/74/706214074.db2.gz LQTFEGCTXPKXNF-DTWKUNHWSA-N 1 0 315.276 1.515 20 5 DDBDRO C[C@@H]1CN(c2nc3ccccn3c2[N+](=O)[O-])C[C@H](C)[N@H+]1CCO ZINC000829015417 706273630 /nfs/dbraw/zinc/27/36/30/706273630.db2.gz INIBNUVSZLCLKS-TXEJJXNPSA-N 1 0 319.365 1.134 20 5 DDBDRO CC(C)[N@@H+]1CCC[C@@H](NC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000829539153 706352720 /nfs/dbraw/zinc/35/27/20/706352720.db2.gz MXOCGPIHAFEPJC-HIFRSBDPSA-N 1 0 321.377 1.617 20 5 DDBDRO CCO[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1)C[NH+](C)C ZINC000926822278 712907287 /nfs/dbraw/zinc/90/72/87/712907287.db2.gz KHHDPKYCDWEMFQ-ZDUSSCGKSA-N 1 0 310.354 1.683 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@H]2CN(C(C)=O)C[C@H]2C1 ZINC000880312618 706937947 /nfs/dbraw/zinc/93/79/47/706937947.db2.gz RLSRURLQPFRQII-OKILXGFUSA-N 1 0 319.361 1.514 20 5 DDBDRO COc1ccc(C[N@@H+](C)[C@H]2CCOC[C@@H]2OC)cc1[N+](=O)[O-] ZINC000880425587 706970300 /nfs/dbraw/zinc/97/03/00/706970300.db2.gz GHAWSLYHBHVUPG-WFASDCNBSA-N 1 0 310.350 1.839 20 5 DDBDRO CC[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H](CO)c1ccccc1 ZINC000880461949 706982468 /nfs/dbraw/zinc/98/24/68/706982468.db2.gz NXQWNTOQBIQXIC-AWEZNQCLSA-N 1 0 304.350 1.847 20 5 DDBDRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000836948106 707553134 /nfs/dbraw/zinc/55/31/34/707553134.db2.gz XYOZIVQWMZZCNK-GFCCVEGCSA-N 1 0 306.366 1.733 20 5 DDBDRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2c1nc2sccn2c1[N+](=O)[O-] ZINC000872779840 707597077 /nfs/dbraw/zinc/59/70/77/707597077.db2.gz IWZUHWKZZBEOFM-UWVGGRQHSA-N 1 0 307.379 1.977 20 5 DDBDRO CC[N@@H+]1CC[C@H]1CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000882484578 707655242 /nfs/dbraw/zinc/65/52/42/707655242.db2.gz HLJRZXVTMUKJNQ-NSHDSACASA-N 1 0 302.334 1.900 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CCOC(=O)[C@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000873360995 707824611 /nfs/dbraw/zinc/82/46/11/707824611.db2.gz QOXJUIKWSRMXKM-TUAOUCFPSA-N 1 0 324.381 1.904 20 5 DDBDRO O=C(CN1CC[NH2+]CCC12CCC2)Nc1ccccc1[N+](=O)[O-] ZINC000883457033 708006585 /nfs/dbraw/zinc/00/65/85/708006585.db2.gz RAAQZXPAPVOJBH-UHFFFAOYSA-N 1 0 318.377 1.751 20 5 DDBDRO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839463511 708049380 /nfs/dbraw/zinc/04/93/80/708049380.db2.gz IOWFRQCHDKBTCD-UPJWGTAASA-N 1 0 307.350 1.588 20 5 DDBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]C1CC(CCO)C1)OCCO2 ZINC000898007303 708518005 /nfs/dbraw/zinc/51/80/05/708518005.db2.gz AUSYJCSEXAISKT-UHFFFAOYSA-N 1 0 308.334 1.617 20 5 DDBDRO O=C1C[C@]2([NH2+]CCc3ccc([N+](=O)[O-])cc3)CCCC[C@@H]2N1 ZINC000898463087 708648156 /nfs/dbraw/zinc/64/81/56/708648156.db2.gz OWTNHOQUCBYUDG-GOEBONIOSA-N 1 0 303.362 1.928 20 5 DDBDRO O=[N+]([O-])c1ncccc1C[NH2+][C@H](C1CC1)[C@]1(CO)CCCO1 ZINC000886220490 708717878 /nfs/dbraw/zinc/71/78/78/708717878.db2.gz IYLRSIPCUXLGHA-UKRRQHHQSA-N 1 0 307.350 1.400 20 5 DDBDRO O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CC([NH+]2CCCC2)C1 ZINC000898606023 708808450 /nfs/dbraw/zinc/80/84/50/708808450.db2.gz NUMKABDSDYEWFM-UHFFFAOYSA-N 1 0 319.317 1.244 20 5 DDBDRO Cn1c(C(=O)N[C@@H]2C[C@@H]([NH+](C)C)C23CCC3)ccc1[N+](=O)[O-] ZINC000898843786 708887144 /nfs/dbraw/zinc/88/71/44/708887144.db2.gz AWEVDMMZXFCKIT-VXGBXAGGSA-N 1 0 306.366 1.536 20 5 DDBDRO CNC(=O)C1([NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)CCOCC1 ZINC000887089567 708952232 /nfs/dbraw/zinc/95/22/32/708952232.db2.gz IFYVFERVHHIIQW-UHFFFAOYSA-N 1 0 311.313 1.119 20 5 DDBDRO CCC1([NH+]2CCC2)CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000899563296 709113105 /nfs/dbraw/zinc/11/31/05/709113105.db2.gz BJXJTTCAZCMIFP-UHFFFAOYSA-N 1 0 321.381 1.268 20 5 DDBDRO O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912902606 713118519 /nfs/dbraw/zinc/11/85/19/713118519.db2.gz MKYOYTBUYXJNQT-CYBMUJFWSA-N 1 0 307.325 1.583 20 5 DDBDRO O=C(c1ccccc1[N+](=O)[O-])N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889783126 709634358 /nfs/dbraw/zinc/63/43/58/709634358.db2.gz VLWISJJKFTVIRV-CABCVRRESA-N 1 0 319.361 1.266 20 5 DDBDRO Cc1ccc([C@H](C)NC(=O)[C@]2(C)C[C@@H](O)C[N@@H+]2C)cc1[N+](=O)[O-] ZINC000900968695 709854533 /nfs/dbraw/zinc/85/45/33/709854533.db2.gz WRMDPUMODKBGAS-GHJWDPDVSA-N 1 0 321.377 1.536 20 5 DDBDRO C[C@H](NC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1)c1ccccc1[N+](=O)[O-] ZINC000891747996 710283323 /nfs/dbraw/zinc/28/33/23/710283323.db2.gz BONCQRMYAPIKER-MQIPJXDCSA-N 1 0 318.377 1.907 20 5 DDBDRO Cc1c(CNC(=O)N[C@@]23CCC[C@H]2[NH2+]CC3)cccc1[N+](=O)[O-] ZINC000891848647 710308676 /nfs/dbraw/zinc/30/86/76/710308676.db2.gz KABYMDNKPGFSIO-GDBMZVCRSA-N 1 0 318.377 1.987 20 5 DDBDRO COc1cc([N+](=O)[O-])cnc1NC[C@H](C)N1CC[NH+](C)CC1 ZINC000892280442 710408969 /nfs/dbraw/zinc/40/89/69/710408969.db2.gz JKWZAEAPRIQEJS-NSHDSACASA-N 1 0 309.370 1.046 20 5 DDBDRO C[C@@]1(NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])C[NH+]2CCC1CC2 ZINC000892766639 710494826 /nfs/dbraw/zinc/49/48/26/710494826.db2.gz MFKDTCDFTVNVFA-MRXNPFEDSA-N 1 0 321.352 1.877 20 5 DDBDRO C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000893069431 710550192 /nfs/dbraw/zinc/55/01/92/710550192.db2.gz STPVRIJJNJQWJF-DGCLKSJQSA-N 1 0 312.391 1.550 20 5 DDBDRO C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000928430894 713192426 /nfs/dbraw/zinc/19/24/26/713192426.db2.gz JUQJTQLZXFDYKF-KAOXEZKKSA-N 1 0 303.362 1.907 20 5 DDBDRO C[NH2+]C1CCN(C(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC000911788004 710988269 /nfs/dbraw/zinc/98/82/69/710988269.db2.gz YSZJWUDAMFELRN-GJZGRUSLSA-N 1 0 303.362 1.909 20 5 DDBDRO COc1cc([C@@H](C)[NH2+]CCNC(=O)C2CC2)cc([N+](=O)[O-])c1 ZINC000903057672 711018780 /nfs/dbraw/zinc/01/87/80/711018780.db2.gz KIAYBKLCXUMRLZ-SNVBAGLBSA-N 1 0 307.350 1.780 20 5 DDBDRO Cc1cc(C(=O)N(CCO)C2CC[NH+](C)CC2)cc([N+](=O)[O-])c1 ZINC000911935997 711076760 /nfs/dbraw/zinc/07/67/60/711076760.db2.gz AOMBXHKZIKVTRD-UHFFFAOYSA-N 1 0 321.377 1.432 20 5 DDBDRO CC[C@H](CN1CCOCC1)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000903342257 711098030 /nfs/dbraw/zinc/09/80/30/711098030.db2.gz CJLYBYCXHVJGHR-TZMCWYRMSA-N 1 0 322.409 1.938 20 5 DDBDRO C[C@@H]1[NH2+]CCn2c(C(=O)NCc3ccc([N+](=O)[O-])cc3)ccc21 ZINC000912272238 711253635 /nfs/dbraw/zinc/25/36/35/711253635.db2.gz KEANOFVVIVWNNU-NSHDSACASA-N 1 0 314.345 1.991 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CN(C)C1(C[NH3+])CCOCC1 ZINC000903805908 711286238 /nfs/dbraw/zinc/28/62/38/711286238.db2.gz SDFVNAZBPDWVID-UHFFFAOYSA-N 1 0 309.366 1.543 20 5 DDBDRO Cn1cc(CN2CCCC[C@H]2C2(C[NH3+])CCC2)c([N+](=O)[O-])n1 ZINC000903812490 711288812 /nfs/dbraw/zinc/28/88/12/711288812.db2.gz ULDIFFKTPRDCTG-ZDUSSCGKSA-N 1 0 307.398 1.812 20 5 DDBDRO C[N@@H+]1CCN(c2nccc3ccc([N+](=O)[O-])cc32)C[C@@H]1CO ZINC000894884680 711307666 /nfs/dbraw/zinc/30/76/66/711307666.db2.gz ILWHZOSWLIMZQZ-CYBMUJFWSA-N 1 0 302.334 1.256 20 5 DDBDRO Cc1cnc(NC[C@@H]2CC[N@@H+]2C2CCOCC2)c([N+](=O)[O-])c1 ZINC000896524598 711738212 /nfs/dbraw/zinc/73/82/12/711738212.db2.gz XIJIHDNOJCLHGN-ZDUSSCGKSA-N 1 0 306.366 1.963 20 5 DDBDRO COC[C@H]1C[NH2+]CCN1C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000904370637 711847992 /nfs/dbraw/zinc/84/79/92/711847992.db2.gz CKLDQLCRRUFQBO-GFCCVEGCSA-N 1 0 322.365 1.664 20 5 DDBDRO COC[C@H]1C[NH2+]CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000904420831 711855780 /nfs/dbraw/zinc/85/57/80/711855780.db2.gz HTXLIQLMNQDUOD-GFCCVEGCSA-N 1 0 308.338 1.355 20 5 DDBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]C[C@H](O)C2(O)CCC2)cc1 ZINC000905136818 711947840 /nfs/dbraw/zinc/94/78/40/711947840.db2.gz RLCIFNXHUVXZLY-HNNXBMFYSA-N 1 0 308.378 1.783 20 5 DDBDRO CC[C@@H]([NH2+]CC[N+](=O)[O-])[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000905170609 711958369 /nfs/dbraw/zinc/95/83/69/711958369.db2.gz RBHWBQFOHKUCEV-CVEARBPZSA-N 1 0 307.394 1.532 20 5 DDBDRO C[C@H](C[NH2+]C[C@@H](O)CN(C)C1CC1)c1ccccc1[N+](=O)[O-] ZINC000905641482 712104228 /nfs/dbraw/zinc/10/42/28/712104228.db2.gz CABSFQQWJAYODW-TZMCWYRMSA-N 1 0 307.394 1.743 20 5 DDBDRO C[C@@H](C[NH2+]C[C@H](O)C1(O)CCCC1)c1ccccc1[N+](=O)[O-] ZINC000905645406 712105435 /nfs/dbraw/zinc/10/54/35/712105435.db2.gz YBSSZDVTUXFQAV-WFASDCNBSA-N 1 0 308.378 1.954 20 5 DDBDRO Cc1n[nH]c(C(=O)N2[C@H](C)CCC[C@@H]2CC[NH+](C)C)c1[N+](=O)[O-] ZINC000914444060 713396302 /nfs/dbraw/zinc/39/63/02/713396302.db2.gz OVIGKETXHXVVDD-ZYHUDNBSSA-N 1 0 323.397 1.961 20 5 DDBDRO COC(=O)/C=C/c1ccc(NC[C@H](O)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000915213771 713412838 /nfs/dbraw/zinc/41/28/38/713412838.db2.gz NDYFTWGVMMJXBI-PZBABLGHSA-N 1 0 323.349 1.115 20 5 DDBDRO C[NH+](C)[C@H](CNC(=O)Cn1ccnc1[N+](=O)[O-])c1ccccc1 ZINC000918342119 713538060 /nfs/dbraw/zinc/53/80/60/713538060.db2.gz BCQXTDQCMZJMAQ-CYBMUJFWSA-N 1 0 317.349 1.210 20 5 DDBDRO C[N@@H+]1CC[C@H]1CNC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000919801727 713635748 /nfs/dbraw/zinc/63/57/48/713635748.db2.gz GOVQGUVSABXBIU-HNNXBMFYSA-N 1 0 320.393 1.921 20 5 DDBDRO CC[NH+](CC)C[C@H](C)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000921077782 713712086 /nfs/dbraw/zinc/71/20/86/713712086.db2.gz LZGUUBVJWFCTPK-JTQLQIEISA-N 1 0 324.337 1.963 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[C@@H]([NH+](C)C)[C@H]2C)c1 ZINC000931038711 713988242 /nfs/dbraw/zinc/98/82/42/713988242.db2.gz RYDILZWRALGNMK-BXUZGUMPSA-N 1 0 321.377 1.906 20 5 DDBDRO C[C@H]1CC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000932348336 714315876 /nfs/dbraw/zinc/31/58/76/714315876.db2.gz MVJBYCKZTWJVDC-GXTWGEPZSA-N 1 0 310.350 1.445 20 5 DDBDRO CN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H](C[NH3+])C(F)(F)F ZINC000923397640 714341384 /nfs/dbraw/zinc/34/13/84/714341384.db2.gz NQJYPHIGQLQQQR-GHMZBOCLSA-N 1 0 307.272 1.450 20 5 DDBDRO CC1(C)CN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])CC[NH2+]1 ZINC000934056044 714732929 /nfs/dbraw/zinc/73/29/29/714732929.db2.gz JJWUDBKNXDJNGU-UHFFFAOYSA-N 1 0 309.341 1.877 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2C[C@@H](Cc3ccccc3)[C@H](O)C2)n1 ZINC000934438828 714822235 /nfs/dbraw/zinc/82/22/35/714822235.db2.gz SORYPBWDPRNWKG-HUUCEWRRSA-N 1 0 316.361 1.327 20 5 DDBDRO CCN(CCNC(=O)CC[NH+](C)C)c1ccccc1[N+](=O)[O-] ZINC001100700902 736178943 /nfs/dbraw/zinc/17/89/43/736178943.db2.gz SXEPIKCQDIWHNX-UHFFFAOYSA-N 1 0 308.382 1.489 20 5 DDBDRO CC(C)(C)OCC(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001125957015 737932859 /nfs/dbraw/zinc/93/28/59/737932859.db2.gz RSAIIORDOPHOJK-UHFFFAOYSA-N 1 0 309.366 1.616 20 5 DDBDRO COc1cc(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)on1 ZINC001126032671 738143213 /nfs/dbraw/zinc/14/32/13/738143213.db2.gz MXMIEHOORKYUGX-UHFFFAOYSA-N 1 0 320.305 1.111 20 5 DDBDRO CCC(=O)N1CCC(CN(C)Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC001029922655 741591037 /nfs/dbraw/zinc/59/10/37/741591037.db2.gz WXLVNJLNTAJMBK-UHFFFAOYSA-N 1 0 323.397 1.409 20 5 DDBDRO CC[NH+](CC)CC[C@@H](C)NC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC001184482552 744052196 /nfs/dbraw/zinc/05/21/96/744052196.db2.gz QDKVJVVFNJXVOT-SNVBAGLBSA-N 1 0 310.354 1.546 20 5 DDBDRO [NH3+]C[C@@]12CC[C@H]1CCN2C(=O)COc1ccccc1[N+](=O)[O-] ZINC001122321739 745370242 /nfs/dbraw/zinc/37/02/42/745370242.db2.gz YIBWKHUJBBQBSS-NHYWBVRUSA-N 1 0 305.334 1.313 20 5 DDBDRO Cc1cc(C(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)nn1C ZINC001124277368 747895911 /nfs/dbraw/zinc/89/59/11/747895911.db2.gz GLBZDSKKBODSRC-UHFFFAOYSA-N 1 0 323.378 1.218 20 5 DDBDRO O=C(CC(F)(F)F)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001124425148 748218475 /nfs/dbraw/zinc/21/84/75/748218475.db2.gz URDHDRIWFPUOPP-UHFFFAOYSA-N 1 0 305.256 1.753 20 5 DDBDRO Cc1[nH]nc(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])c1C ZINC001125039412 748808494 /nfs/dbraw/zinc/80/84/94/748808494.db2.gz IHIJMIPULATVKE-UHFFFAOYSA-N 1 0 317.349 1.454 20 5 DDBDRO Cc1cc(C[NH2+]C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)sn1 ZINC000996439025 749574230 /nfs/dbraw/zinc/57/42/30/749574230.db2.gz AEEMXEXFMJNGPO-CHWSQXEVSA-N 1 0 324.406 1.197 20 5 DDBDRO COCC(=O)N1CCC(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000997454330 750934826 /nfs/dbraw/zinc/93/48/26/750934826.db2.gz VNCFYPPROLHJOE-UHFFFAOYSA-N 1 0 321.377 1.569 20 5 DDBDRO O=C1C[C@H]([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CN1Cc1ccccc1 ZINC001168968401 762158692 /nfs/dbraw/zinc/15/86/92/762158692.db2.gz YUTCLYLGAIBXSW-JYJNAYRXSA-N 1 0 317.389 1.823 20 5 DDBDRO CCOC(=O)CN1CCC([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168992962 762166522 /nfs/dbraw/zinc/16/65/22/762166522.db2.gz LWDBXBCEQFGLHQ-GXTWGEPZSA-N 1 0 313.398 1.049 20 5 DDBDRO O=C(C1CCC1)N1CCC([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168996557 762169133 /nfs/dbraw/zinc/16/91/33/762169133.db2.gz WAFSIWGBVMGHIX-DOMZBBRYSA-N 1 0 309.410 1.813 20 5 DDBDRO CC(=O)N1CCC2(C1)CC[NH+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169010119 762177881 /nfs/dbraw/zinc/17/78/81/762177881.db2.gz BFMORDFQNXKUHC-LSDHHAIUSA-N 1 0 309.410 1.766 20 5 DDBDRO COc1cccc(C[C@H](CO)[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001168986798 762179543 /nfs/dbraw/zinc/17/95/43/762179543.db2.gz ZQNZYHAXIAHTBS-QLFBSQMISA-N 1 0 308.378 1.634 20 5 DDBDRO O=C(c1cccnc1)N1CC[C@@H]([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168990638 762182446 /nfs/dbraw/zinc/18/24/46/762182446.db2.gz CWJMAFLTZGNNPT-NWANDNLSSA-N 1 0 318.377 1.331 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H](N(c2ncccn2)C2CC[NH2+]CC2)C1 ZINC001169035360 762190925 /nfs/dbraw/zinc/19/09/25/762190925.db2.gz KPROHFGCPPYQJZ-TZMCWYRMSA-N 1 0 305.382 1.480 20 5 DDBDRO CCN1CC[C@]2(CCC[N@@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)C1=O ZINC001169019201 762199519 /nfs/dbraw/zinc/19/95/19/762199519.db2.gz FNZDXYVVUCRQKA-FMKPAKJESA-N 1 0 309.410 1.766 20 5 DDBDRO O=C1[C@H]2C[N@H+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@H]2CN1CC1CC1 ZINC001169025220 762203110 /nfs/dbraw/zinc/20/31/10/762203110.db2.gz YDZUWGPWPFHOBM-QPSCCSFWSA-N 1 0 307.394 1.232 20 5 DDBDRO COc1ccnc(O[C@@H]2CC[N@@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)n1 ZINC001169057455 762210652 /nfs/dbraw/zinc/21/06/52/762210652.db2.gz VKUNMPJXBZNVAU-JHJVBQTASA-N 1 0 322.365 1.384 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC000829037761 759863378 /nfs/dbraw/zinc/86/33/78/759863378.db2.gz JFKOHHXKLXJHJS-WFASDCNBSA-N 1 0 320.393 1.267 20 5 DDBDRO Cc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cc1F ZINC001020140015 760613763 /nfs/dbraw/zinc/61/37/63/760613763.db2.gz UPTUODPBIMLATB-RGCMKSIDSA-N 1 0 321.352 1.536 20 5 DDBDRO Cc1cccc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c1 ZINC001086082382 760940793 /nfs/dbraw/zinc/94/07/93/760940793.db2.gz MATZITRMXOLEOR-QKPAOTATSA-N 1 0 317.389 1.645 20 5 DDBDRO O=C(NC[C@H]1C[C@H]([NH2+]Cc2ccsc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001086363357 761493176 /nfs/dbraw/zinc/49/31/76/761493176.db2.gz PLQBNRGMWGWLGR-FDYHWXHSSA-N 1 0 309.391 1.398 20 5 DDBDRO C[C@H](Nc1ccnc2c1cccc2[N+](=O)[O-])[C@H]1C[NH2+]CCO1 ZINC001170566445 768172727 /nfs/dbraw/zinc/17/27/27/768172727.db2.gz ANTHGHFSAJIDBD-IINYFYTJSA-N 1 0 302.334 1.932 20 5 DDBDRO O=[N+]([O-])c1cc(F)cc2ccc(NC[C@H]3COCC[NH2+]3)nc21 ZINC001170041689 764323698 /nfs/dbraw/zinc/32/36/98/764323698.db2.gz KFJCGZIFZBJCCQ-NSHDSACASA-N 1 0 306.297 1.682 20 5 DDBDRO COc1ccc(C[C@H](C)N2CCO[C@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC001170311063 766244383 /nfs/dbraw/zinc/24/43/83/766244383.db2.gz ZBGNRGWILXNKPT-SMDDNHRTSA-N 1 0 309.366 1.194 20 5 DDBDRO COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2CCC(=O)NC2)c([N+](=O)[O-])c1 ZINC001170308778 766259671 /nfs/dbraw/zinc/25/96/71/766259671.db2.gz ORTMJDRZQIWXGU-NEPJUHHUSA-N 1 0 321.377 1.650 20 5 DDBDRO [NH3+]CCOCCOCCNc1ccc2cnccc2c1[N+](=O)[O-] ZINC001170511259 767691979 /nfs/dbraw/zinc/69/19/79/767691979.db2.gz PJBFSPIHZSWLII-UHFFFAOYSA-N 1 0 320.349 1.547 20 5 DDBDRO Cc1ncccc1C(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001133105641 769502277 /nfs/dbraw/zinc/50/22/77/769502277.db2.gz CCJBMMMYURPEJJ-UHFFFAOYSA-N 1 0 314.345 1.818 20 5 DDBDRO Cc1nc(C)c(C(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)[nH]1 ZINC001133989886 770530577 /nfs/dbraw/zinc/53/05/77/770530577.db2.gz XWMUAKKPXSNOEG-UHFFFAOYSA-N 1 0 323.378 1.516 20 5 DDBDRO CC[C@@]([NH3+])(CO)Nc1cc(Cl)c([N+](=O)[O-])cc1C(=O)OC ZINC001170865807 771786881 /nfs/dbraw/zinc/78/68/81/771786881.db2.gz JDTOJQORSHKFMI-LBPRGKRZSA-N 1 0 317.729 1.504 20 5 DDBDRO C[C@@H]([NH3+])CCNc1cc([N+](=O)[O-])cc(Br)[n+]1[O-] ZINC001170891369 771894763 /nfs/dbraw/zinc/89/47/63/771894763.db2.gz VMLDDKXDLSHWCA-ZCFIWIBFSA-N 1 0 305.132 1.140 20 5 DDBDRO Cc1cnc(NCCNC(=O)C2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC001093700862 775021007 /nfs/dbraw/zinc/02/10/07/775021007.db2.gz KSKDTISOHQBYAE-UHFFFAOYSA-N 1 0 321.381 1.168 20 5 DDBDRO O=C(C[NH+]1CCCC1)NCC1(Nc2ccc([N+](=O)[O-])cn2)CC1 ZINC001110150135 775124393 /nfs/dbraw/zinc/12/43/93/775124393.db2.gz RXOYSAROKKHSIW-UHFFFAOYSA-N 1 0 319.365 1.146 20 5 DDBDRO CN(CCNC(=O)C1([NH+](C)C)CCC1)c1ccc([N+](=O)[O-])cc1 ZINC001100195760 775801098 /nfs/dbraw/zinc/80/10/98/775801098.db2.gz GXLBDCBFOIECNZ-UHFFFAOYSA-N 1 0 320.393 1.632 20 5 DDBDRO CCN(CCNC(=O)CC[N@H+](C)CC)c1ccc([N+](=O)[O-])cc1 ZINC001100607382 776359505 /nfs/dbraw/zinc/35/95/05/776359505.db2.gz YICCQIXPGWBBKW-UHFFFAOYSA-N 1 0 322.409 1.879 20 5 DDBDRO CCN(CCNC(=O)CCC[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC001100707236 776457189 /nfs/dbraw/zinc/45/71/89/776457189.db2.gz VECANPIVSQKSRX-UHFFFAOYSA-N 1 0 322.409 1.879 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CCOCCO)c1F ZINC001173174803 777034239 /nfs/dbraw/zinc/03/42/39/777034239.db2.gz CGHYDYSHLZDQMI-JTQLQIEISA-N 1 0 316.329 1.272 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@H](CO)[C@@H](C)O)c1F ZINC001173174891 777034374 /nfs/dbraw/zinc/03/43/74/777034374.db2.gz FKAACXCDHPGREV-FXPVBKGRSA-N 1 0 316.329 1.005 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+]2C[C@H](O)[C@@H](C)C2)c1F ZINC001173181330 777035317 /nfs/dbraw/zinc/03/53/17/777035317.db2.gz OQGPBRHMPRPQTN-KWBADKCTSA-N 1 0 312.341 1.986 20 5 DDBDRO CC[C@@]([NH3+])(CO)N[C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173192861 777037796 /nfs/dbraw/zinc/03/77/96/777037796.db2.gz RPKAUCNWWRPPOZ-XPTSAGLGSA-N 1 0 315.345 1.320 20 5 DDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N(CCC[NH2+]CCF)CC1CCCC1 ZINC001177314063 778534629 /nfs/dbraw/zinc/53/46/29/778534629.db2.gz YVYGJPITFWVNIF-ZIAGYGMSSA-N 1 0 315.389 1.620 20 5 DDBDRO CNc1ccc(C(=O)N2CCCC[C@@H]2C[NH2+]C)cc1[N+](=O)[O-] ZINC001119366735 781423375 /nfs/dbraw/zinc/42/33/75/781423375.db2.gz JFODWVGWKGZPCU-GFCCVEGCSA-N 1 0 306.366 1.851 20 5 DDBDRO O=C1C[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CN1CC1CC1 ZINC001119451008 781457931 /nfs/dbraw/zinc/45/79/31/781457931.db2.gz SNTWSTGNNXANCG-CQSZACIVSA-N 1 0 303.362 1.738 20 5 DDBDRO C[N@@H+]1CC[C@@H]1CNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC001119630960 781542790 /nfs/dbraw/zinc/54/27/90/781542790.db2.gz LMLDAPXQSBCHST-CYBMUJFWSA-N 1 0 306.366 1.833 20 5 DDBDRO O=C(CCCF)N[C@@H]1[C@H]2C[N@@H+](Cc3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC001266903730 837034662 /nfs/dbraw/zinc/03/46/62/837034662.db2.gz UDVYRFXTDMVAQD-FOLVSLTJSA-N 1 0 321.352 1.891 20 5 DDBDRO CCc1nc(C)c(C[NH2+]CCCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])o1 ZINC001268792048 840813096 /nfs/dbraw/zinc/81/30/96/840813096.db2.gz UTLAXFJEMGPBSI-VXGBXAGGSA-N 1 0 324.381 1.149 20 5 DDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC001326306541 861268518 /nfs/dbraw/zinc/26/85/18/861268518.db2.gz QZBOGMSCDXSMES-UHFFFAOYSA-N 1 0 318.377 1.783 20 5 DDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC001326815656 861627790 /nfs/dbraw/zinc/62/77/90/861627790.db2.gz AIZMGJDSUQHFGR-MFKMUULPSA-N 1 0 304.350 1.461 20 5 DDBDRO COc1ncnc(-n2cncc2C2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001155058382 861689988 /nfs/dbraw/zinc/68/99/88/861689988.db2.gz ZTKYMQJGZWGILN-UHFFFAOYSA-N 1 0 304.310 1.046 20 5 DDBDRO COc1ncnc(N2C[C@H]([NH3+])Cc3ccccc32)c1[N+](=O)[O-] ZINC001155298248 861944388 /nfs/dbraw/zinc/94/43/88/861944388.db2.gz CQUSURZPUDZRHC-SNVBAGLBSA-N 1 0 301.306 1.415 20 5 DDBDRO O=[N+]([O-])c1cc(Cl)nc(NCC[C@H]2CCOC23C[NH2+]C3)c1 ZINC001155469308 862119758 /nfs/dbraw/zinc/11/97/58/862119758.db2.gz GYEPOKBSXDVYDI-VIFPVBQESA-N 1 0 312.757 1.824 20 5 DDBDRO Cc1c(C)c(NCC[C@H]2CCOC23C[NH2+]C3)ncc1[N+](=O)[O-] ZINC001155475757 862132616 /nfs/dbraw/zinc/13/26/16/862132616.db2.gz CIMLIWGWRKGPTO-LBPRGKRZSA-N 1 0 306.366 1.787 20 5 DDBDRO O=[N+]([O-])c1c(Cl)cc(Cl)nc1N[C@@H]1C[NH2+][C@@H]2COC[C@H]12 ZINC001155505171 862170385 /nfs/dbraw/zinc/17/03/85/862170385.db2.gz GCBNMLNMARLWHV-LPBLVHEISA-N 1 0 319.148 1.695 20 5 DDBDRO CCOc1nc(NC[C@@H]2OC[C@H]3C[NH2+]CC[C@H]32)ccc1[N+](=O)[O-] ZINC001155526105 862194089 /nfs/dbraw/zinc/19/40/89/862194089.db2.gz CCRGPFRIAKLQKI-WZRBSPASSA-N 1 0 322.365 1.425 20 5 DDBDRO O=[N+]([O-])c1cnc(NC[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)c(F)c1 ZINC001155599870 862276847 /nfs/dbraw/zinc/27/68/47/862276847.db2.gz UZZNZSQPRYGWDC-YGRLFVJLSA-N 1 0 310.329 1.700 20 5 DDBDRO CC(C)(O)CC(=O)NC/C=C/C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001273990667 851787257 /nfs/dbraw/zinc/78/72/57/851787257.db2.gz JLWWCNDPVDVWNZ-ONEGZZNKSA-N 1 0 321.377 1.518 20 5 DDBDRO CC(C)Oc1nc(N[C@H]2C[NH2+][C@@H]3CCO[C@@H]32)ccc1[N+](=O)[O-] ZINC001155642849 862331292 /nfs/dbraw/zinc/33/12/92/862331292.db2.gz VWUBCTABNCQNGI-NRUUGDAUSA-N 1 0 308.338 1.318 20 5 DDBDRO Cc1nccc(C(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)n1 ZINC001151306621 862722485 /nfs/dbraw/zinc/72/24/85/862722485.db2.gz NAJYAHKPLDUSJY-UHFFFAOYSA-N 1 0 321.362 1.274 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(C)cc1-c1noc(C[C@H]2C[NH2+]CCO2)n1 ZINC001328413067 862959572 /nfs/dbraw/zinc/95/95/72/862959572.db2.gz OKULHSVCJXVPMJ-NSHDSACASA-N 1 0 318.333 1.793 20 5 DDBDRO O=C(NCC[C@@H]1CSCC[NH2+]1)c1csc([N+](=O)[O-])c1 ZINC001122000983 858657859 /nfs/dbraw/zinc/65/78/59/858657859.db2.gz JCLNAEMMUDIAFY-SECBINFHSA-N 1 0 301.393 1.481 20 5 DDBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1C[NH2+]C[C@H]1C ZINC001122139558 858694643 /nfs/dbraw/zinc/69/46/43/858694643.db2.gz COSBAMCOJRTDPV-GIPNMCIBSA-N 1 0 309.391 1.800 20 5 DDBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1C[NH2+]C[C@H]1C ZINC001122139557 858694962 /nfs/dbraw/zinc/69/49/62/858694962.db2.gz COSBAMCOJRTDPV-GBIKHYSHSA-N 1 0 309.391 1.800 20 5 DDBDRO COc1cc(C(=O)N2CC[C@@H]3CC[C@@]32C[NH3+])ccc1[N+](=O)[O-] ZINC001122412885 858797510 /nfs/dbraw/zinc/79/75/10/858797510.db2.gz YVTJVIHXMHMXGS-XHDPSFHLSA-N 1 0 305.334 1.557 20 5 DDBDRO Cc1ncncc1C(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001124118928 859589182 /nfs/dbraw/zinc/58/91/82/859589182.db2.gz FCYOXXPHABJYOR-UHFFFAOYSA-N 1 0 315.333 1.213 20 5 DDBDRO [NH3+]CCc1nccn1-c1nc(Cl)nc2ccc([N+](=O)[O-])cc21 ZINC001156477778 863084385 /nfs/dbraw/zinc/08/43/85/863084385.db2.gz LISGXHVCUNPIPS-UHFFFAOYSA-N 1 0 318.724 1.878 20 5 DDBDRO [NH3+][C@@]12CCC[C@H]1CN(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C2 ZINC001328588079 863089913 /nfs/dbraw/zinc/08/99/13/863089913.db2.gz FBSLXRDKTBLHFL-IINYFYTJSA-N 1 0 320.305 1.456 20 5 DDBDRO CC(C)(O)CC(=O)NCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001157292269 863716284 /nfs/dbraw/zinc/71/62/84/863716284.db2.gz ZOTWGMJHRHIOMQ-UHFFFAOYSA-N 1 0 315.395 1.413 20 5 DDBDRO COc1nc(C)c([N+](=O)[O-])c(N2CCCC[C@]23CCC[NH2+]C3)n1 ZINC001157470956 863844840 /nfs/dbraw/zinc/84/48/40/863844840.db2.gz ACAQAQCTPSZDDX-OAHLLOKOSA-N 1 0 321.381 1.814 20 5 DDBDRO C[NH2+]CCN(c1ncc(C(=O)OC)cc1[N+](=O)[O-])C(C)(C)C ZINC001157825329 864173841 /nfs/dbraw/zinc/17/38/41/864173841.db2.gz COBOHBSGQKCCSR-UHFFFAOYSA-N 1 0 310.354 1.601 20 5 DDBDRO O=C(NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccncc1 ZINC001154139764 864442155 /nfs/dbraw/zinc/44/21/55/864442155.db2.gz BMIYWCCITZKRDE-UHFFFAOYSA-N 1 0 314.345 1.900 20 5 DDBDRO CC[C@@H](C)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2N)CC1 ZINC001158144619 864454476 /nfs/dbraw/zinc/45/44/76/864454476.db2.gz HXJMGLWNAFBRDF-LLVKDONJSA-N 1 0 306.366 1.733 20 5 DDBDRO CCOC(=O)c1ccnc(-n2ccc([C@H](C)[NH3+])n2)c1[N+](=O)[O-] ZINC001158354865 864598706 /nfs/dbraw/zinc/59/87/06/864598706.db2.gz DGVJEAHCACKHKH-QMMMGPOBSA-N 1 0 305.294 1.372 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[NH2+]CCC23CCC3)n1 ZINC001330942597 864723105 /nfs/dbraw/zinc/72/31/05/864723105.db2.gz UTLDPDCAUZWDAJ-UHFFFAOYSA-N 1 0 307.354 1.169 20 5 DDBDRO CC[N@@H+]1CCN(c2nccc(C(=O)OC)c2[N+](=O)[O-])C(C)(C)C1 ZINC001158561424 864728333 /nfs/dbraw/zinc/72/83/33/864728333.db2.gz DEKXZMZEAFXQQR-UHFFFAOYSA-N 1 0 322.365 1.697 20 5 DDBDRO CCOc1nc(N2CC([N@H+](C)[C@H]3CCOC3)C2)ccc1[N+](=O)[O-] ZINC001158735427 864871038 /nfs/dbraw/zinc/87/10/38/864871038.db2.gz DEPJQLUSCRCXQX-NSHDSACASA-N 1 0 322.365 1.298 20 5 DDBDRO [NH3+]CCOCCOCCNc1ncc([N+](=O)[O-])c2ccccc21 ZINC001159444526 865297791 /nfs/dbraw/zinc/29/77/91/865297791.db2.gz ILSJSVJUPBZVHL-UHFFFAOYSA-N 1 0 320.349 1.547 20 5 DDBDRO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1nc(C)cc(C)c1[N+](=O)[O-] ZINC001159755250 865506403 /nfs/dbraw/zinc/50/64/03/865506403.db2.gz NODYNUSUQIIXFK-GHMZBOCLSA-N 1 0 308.338 1.170 20 5 DDBDRO COc1nc(C)c([N+](=O)[O-])c(-n2cc3ccc(C[NH3+])cc3n2)n1 ZINC001160141016 865695689 /nfs/dbraw/zinc/69/56/89/865695689.db2.gz ULNOOYXFKNPBBF-UHFFFAOYSA-N 1 0 314.305 1.499 20 5 DDBDRO [NH3+]Cc1ccc2cn(-c3cc([N+](=O)[O-])cc(Cl)[n+]3[O-])nc2c1 ZINC001160140226 865695762 /nfs/dbraw/zinc/69/57/62/865695762.db2.gz KSZLRKRSPFSVAJ-UHFFFAOYSA-N 1 0 319.708 1.679 20 5 DDBDRO C[NH+](C)CCn1cc(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)cn1 ZINC001160702326 866049344 /nfs/dbraw/zinc/04/93/44/866049344.db2.gz JPYKKUGAQLWEFD-UHFFFAOYSA-N 1 0 318.337 1.187 20 5 DDBDRO [NH3+][C@H]1CC[C@H](N(c2ncc(F)cc2[N+](=O)[O-])C2COC2)CC1 ZINC001161277292 866486443 /nfs/dbraw/zinc/48/64/43/866486443.db2.gz UXCMTEUZEBKIPB-XYPYZODXSA-N 1 0 310.329 1.604 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cc2ccccc2cc1O ZINC001225737368 882001646 /nfs/dbraw/zinc/00/16/46/882001646.db2.gz JXUDAXCDMPDXQK-CQSZACIVSA-O 1 0 304.366 1.908 20 5 DDBDRO Nc1nc(N2CCC([NH3+])(c3cccnc3)CC2)ccc1[N+](=O)[O-] ZINC001161582367 866784134 /nfs/dbraw/zinc/78/41/34/866784134.db2.gz PRKZNCDKAWAZQN-UHFFFAOYSA-N 1 0 314.349 1.421 20 5 DDBDRO COc1cc([N+](=O)[O-])cnc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC001333710519 866955764 /nfs/dbraw/zinc/95/57/64/866955764.db2.gz LHTNYPBFYRVNIE-AAEUAGOBSA-N 1 0 306.366 1.919 20 5 DDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1CCC[C@H]1C ZINC001320704251 866963337 /nfs/dbraw/zinc/96/33/37/866963337.db2.gz YLMDGTYJFGHKCM-LLVKDONJSA-N 1 0 306.366 1.851 20 5 DDBDRO COc1cc(C)nc(NC[C@H]2C[NH2+]CC(C)(C)O2)c1[N+](=O)[O-] ZINC001161954282 867138930 /nfs/dbraw/zinc/13/89/30/867138930.db2.gz RDWUEMRGTYOLTO-SNVBAGLBSA-N 1 0 310.354 1.486 20 5 DDBDRO CN1CCN(Cc2cc(-c3ccccc3[N+](=O)[O-])no2)CC1 ZINC001334006470 867228200 /nfs/dbraw/zinc/22/82/00/867228200.db2.gz WWEQVUSZCIBMAV-UHFFFAOYSA-N 1 0 302.334 1.997 20 5 DDBDRO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC001321047843 867259287 /nfs/dbraw/zinc/25/92/87/867259287.db2.gz AEOFCOMMVLIQFH-NWDGAFQWSA-N 1 0 307.354 1.175 20 5 DDBDRO C[C@@H]1C[NH2+]CCC[C@@H]1CNc1ncnc2[nH]cc([N+](=O)[O-])c21 ZINC001162462589 867552075 /nfs/dbraw/zinc/55/20/75/867552075.db2.gz WOFJJHZOXHEMSZ-NXEZZACHSA-N 1 0 304.354 1.865 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])c(NC[C@H]2C[NH2+][C@H](C)C2)cc1OC ZINC001162556785 867638695 /nfs/dbraw/zinc/63/86/95/867638695.db2.gz VLHIUJYCNHGLLL-NXEZZACHSA-N 1 0 323.349 1.800 20 5 DDBDRO Cc1ccc2c(ccnc2N[C@@H]2C[NH2+][C@@H]3COC[C@H]23)c1[N+](=O)[O-] ZINC001163138110 868149649 /nfs/dbraw/zinc/14/96/49/868149649.db2.gz YBCSPIUGHMZGAT-MGPQQGTHSA-N 1 0 314.345 1.850 20 5 DDBDRO O=[N+]([O-])/C=C/c1ccc(Cl)cc1N[C@@H]1C[NH2+][C@@H]2COC[C@H]12 ZINC001163146730 868157571 /nfs/dbraw/zinc/15/75/71/868157571.db2.gz YHMBZYOSMZAZBY-RJJQSZRUSA-N 1 0 309.753 1.986 20 5 DDBDRO CC(=O)Nc1ccc(NC[C@@]23C[NH2+][C@@H](CO2)C3)cc1[N+](=O)[O-] ZINC001163203468 868211542 /nfs/dbraw/zinc/21/15/42/868211542.db2.gz WDJWLQAWCYABOY-RISCZKNCSA-N 1 0 306.322 1.096 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CCN1CC=CCC1 ZINC001335379143 868259979 /nfs/dbraw/zinc/25/99/79/868259979.db2.gz ALVDHNFZIVGFCL-CQSZACIVSA-N 1 0 321.377 1.186 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N[C@H](C[NH3+])c1ccccc1 ZINC001163291799 868317061 /nfs/dbraw/zinc/31/70/61/868317061.db2.gz GDOFXTKHGRZXBM-CYBMUJFWSA-N 1 0 316.317 1.888 20 5 DDBDRO O=[N+]([O-])c1c[nH]c2nc(N[C@H]3CCO[C@@]4(CC[NH2+]C4)C3)ccc12 ZINC001163305035 868329630 /nfs/dbraw/zinc/32/96/30/868329630.db2.gz KZPUMSNGKVGWIQ-BONVTDFDSA-N 1 0 317.349 1.794 20 5 DDBDRO CSc1nc(Cl)nc(-n2c(C)nnc2C[NH3+])c1[N+](=O)[O-] ZINC001163348725 868383186 /nfs/dbraw/zinc/38/31/86/868383186.db2.gz PEZAGGMYSWDAFK-UHFFFAOYSA-N 1 0 315.746 1.108 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])ncc1N[C@H]1C[NH+]2CCC1CC2 ZINC001163394939 868414495 /nfs/dbraw/zinc/41/44/95/868414495.db2.gz NCTQSDGXEIPFTB-LBPRGKRZSA-N 1 0 306.322 1.283 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])c(-n2nc(C[NH3+])cc2C)cc1OC ZINC001163986159 868847983 /nfs/dbraw/zinc/84/79/83/868847983.db2.gz VYPWAYWNSNEPTE-UHFFFAOYSA-N 1 0 320.305 1.343 20 5 DDBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@H](C)CC[C@@H]1C[NH3+] ZINC001164074317 868927725 /nfs/dbraw/zinc/92/77/25/868927725.db2.gz RZQFLTJDSNWFJC-GHMZBOCLSA-N 1 0 322.365 1.730 20 5 DDBDRO CC1CC(N(C)c2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])C1 ZINC001164195271 869004163 /nfs/dbraw/zinc/00/41/63/869004163.db2.gz NLZFMLNZEDQFPN-UHFFFAOYSA-N 1 0 306.370 1.029 20 5 DDBDRO CC(C)[N@H+](CCO)CC1CCN(c2cccnc2[N+](=O)[O-])CC1 ZINC001336711721 869104066 /nfs/dbraw/zinc/10/40/66/869104066.db2.gz RXNBDUDQSSHCNI-UHFFFAOYSA-N 1 0 322.409 1.909 20 5 DDBDRO C[C@H](C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)Cn1ccnc1 ZINC001336739788 869118196 /nfs/dbraw/zinc/11/81/96/869118196.db2.gz QYDVVHICMAQXNM-IUODEOHRSA-N 1 0 304.350 1.751 20 5 DDBDRO COc1cncc(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC001336817355 869163113 /nfs/dbraw/zinc/16/31/13/869163113.db2.gz CUVQRQQRIDQCSC-OAHLLOKOSA-N 1 0 303.318 1.822 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N(C)CC[NH+]1CCCC1 ZINC001165139406 869404332 /nfs/dbraw/zinc/40/43/32/869404332.db2.gz IGHLCMGAIYDFKA-UHFFFAOYSA-N 1 0 308.338 1.308 20 5 DDBDRO COC(=O)c1ncc([N+](=O)[O-])cc1NCC[C@H]1CCC[N@H+](C)C1 ZINC001165300382 869506589 /nfs/dbraw/zinc/50/65/89/869506589.db2.gz NECLSNOBVCLYKB-LLVKDONJSA-N 1 0 322.365 1.920 20 5 DDBDRO [NH3+][C@]12C[C@H]1CN(c1ccc(-c3ccc(F)c([N+](=O)[O-])c3)nn1)C2 ZINC001165315158 869514061 /nfs/dbraw/zinc/51/40/61/869514061.db2.gz FVESSSISKDZBPV-BONVTDFDSA-N 1 0 315.308 1.728 20 5 DDBDRO O=[N+]([O-])c1ccccc1-c1ccc(N2CCC[C@@H]3[NH2+]C[C@@H]32)nn1 ZINC001165392363 869563554 /nfs/dbraw/zinc/56/35/54/869563554.db2.gz BVKHXINEINTBOU-ZFWWWQNUSA-N 1 0 311.345 1.992 20 5 DDBDRO Cn1c(C[N+](=O)[O-])nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001338205812 869868337 /nfs/dbraw/zinc/86/83/37/869868337.db2.gz NRENEUJRYAHHJH-UHFFFAOYSA-N 1 0 308.386 1.047 20 5 DDBDRO Cc1cnc(-n2ccc([C@H]3CCC[NH2+]3)nc2=N)c([N+](=O)[O-])c1 ZINC001166702016 870169884 /nfs/dbraw/zinc/16/98/84/870169884.db2.gz XQAAGXAAEMDRKM-SNVBAGLBSA-N 1 0 300.322 1.388 20 5 DDBDRO COC(=O)C1(Nc2cnc(Cl)cc2[N+](=O)[O-])CC[NH2+]CC1 ZINC001166932755 870393473 /nfs/dbraw/zinc/39/34/73/870393473.db2.gz WPJLTQDOMFYDAJ-UHFFFAOYSA-N 1 0 314.729 1.350 20 5 DDBDRO C[C@H](O)[C@@H](O)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC001203276194 870522805 /nfs/dbraw/zinc/52/28/05/870522805.db2.gz JRDAFSQBWLBKGN-HZMBPMFUSA-N 1 0 306.318 1.686 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NCCN1CC[NH+](C)CC1 ZINC001203716578 870724578 /nfs/dbraw/zinc/72/45/78/870724578.db2.gz NGLUQIXMWYRUGB-UHFFFAOYSA-N 1 0 321.381 1.272 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2CC[C@H]3C[N@H+](C)C[C@H]32)n1 ZINC001339997514 870829500 /nfs/dbraw/zinc/82/95/00/870829500.db2.gz CPOXNOCVLVEBJF-HBNTYKKESA-N 1 0 320.349 1.529 20 5 DDBDRO COc1ccc(CNC(=O)[C@]23C[C@H]2CCC[NH2+]3)cc1[N+](=O)[O-] ZINC001340619893 871240067 /nfs/dbraw/zinc/24/00/67/871240067.db2.gz CTZMXBHIGRIIJM-ABAIWWIYSA-N 1 0 305.334 1.362 20 5 DDBDRO [NH3+][C@@H]1CN(C(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC[C@H]1F ZINC001340659562 871264260 /nfs/dbraw/zinc/26/42/60/871264260.db2.gz HDWDBSGBOPZFHI-XJFOESAGSA-N 1 0 307.325 1.596 20 5 DDBDRO C[C@](CO)([NH2+]C[C@@H]1CCc2ncnn21)c1cccc([N+](=O)[O-])c1 ZINC001308000379 871462837 /nfs/dbraw/zinc/46/28/37/871462837.db2.gz UFLZTXFQVUARMK-DZGCQCFKSA-N 1 0 317.349 1.171 20 5 DDBDRO COc1cc(C(=O)N2CC[C@H](CC[NH3+])C2)cc([N+](=O)[O-])c1C ZINC001341235174 871568548 /nfs/dbraw/zinc/56/85/48/871568548.db2.gz HWXDFDRPNHPUTL-NSHDSACASA-N 1 0 307.350 1.723 20 5 DDBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)[C@]12CC[C@H]1C[NH2+]C2 ZINC001341513904 871690624 /nfs/dbraw/zinc/69/06/24/871690624.db2.gz FFHXOKCDMCRIPA-HZMBPMFUSA-N 1 0 309.753 1.864 20 5 DDBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001341537162 871700326 /nfs/dbraw/zinc/70/03/26/871700326.db2.gz OLVVPQHLOZDXSY-NWANDNLSSA-N 1 0 318.377 1.796 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCCC[NH2+]2)c1 ZINC001342959791 872451600 /nfs/dbraw/zinc/45/16/00/872451600.db2.gz GNLCCJVZGRYYHF-LLVKDONJSA-N 1 0 307.350 1.865 20 5 DDBDRO COCC[C@@H]1C[NH2+]CCN1C(=O)c1ccc([N+](=O)[O-])cc1C ZINC001343102257 872500743 /nfs/dbraw/zinc/50/07/43/872500743.db2.gz FNWZIPCGRVRQHG-CYBMUJFWSA-N 1 0 307.350 1.354 20 5 DDBDRO O=C(CCc1cc(F)ccc1[N+](=O)[O-])NCC1=CC[NH2+]CC1 ZINC001343473394 872639124 /nfs/dbraw/zinc/63/91/24/872639124.db2.gz JFYKBCGEQHPRLM-UHFFFAOYSA-N 1 0 307.325 1.702 20 5 DDBDRO CC(C)CNC(=O)C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC001343912725 872803167 /nfs/dbraw/zinc/80/31/67/872803167.db2.gz GWLQHGCONQYNOO-OLZOCXBDSA-N 1 0 323.397 1.637 20 5 DDBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1nnnn1C ZINC001207732612 873512714 /nfs/dbraw/zinc/51/27/14/873512714.db2.gz MEVZKIIHWBTRAQ-MNOVXSKESA-N 1 0 304.354 1.790 20 5 DDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC001347938569 874310722 /nfs/dbraw/zinc/31/07/22/874310722.db2.gz CATJOWPRPUGPHY-ZUZCIYMTSA-N 1 0 304.350 1.590 20 5 DDBDRO CC1CC[NH+](CCc2nnc(-c3nn(C)cc3[N+](=O)[O-])o2)CC1 ZINC001348891528 874858435 /nfs/dbraw/zinc/85/84/35/874858435.db2.gz JVDMSANNWQNAMZ-UHFFFAOYSA-N 1 0 320.353 1.653 20 5 DDBDRO COc1ccc(F)c(OC(=O)C[C@@H](O)C[N+](C)(C)C)c1Cl ZINC001227353748 882983221 /nfs/dbraw/zinc/98/32/21/882983221.db2.gz JJLFKWIMSUZPEC-SECBINFHSA-N 1 0 320.768 1.850 20 5 DDBDRO C[C@@H]1CN(Cn2cc([N+](=O)[O-])cn2)CCN1c1cc[nH+]cc1 ZINC001353196933 877177192 /nfs/dbraw/zinc/17/71/92/877177192.db2.gz URIJMTWRHNJGKJ-GFCCVEGCSA-N 1 0 302.338 1.355 20 5 DDBDRO O=C(CC[NH2+][C@H]1COC[C@@H]1C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC001353375816 877286575 /nfs/dbraw/zinc/28/65/75/877286575.db2.gz HUXOAUBULSHEOV-OCCSQVGLSA-N 1 0 319.361 1.938 20 5 DDBDRO CNc1ccc(C(=O)NC2(C3CC[NH2+]CC3)CC2)cc1[N+](=O)[O-] ZINC001355463872 878568989 /nfs/dbraw/zinc/56/89/89/878568989.db2.gz LNYUVRJOMLTURA-UHFFFAOYSA-N 1 0 318.377 1.899 20 5 DDBDRO COC(=O)c1ccc(CO[C@H](C)C[N+](C)(C)C)c([N+](=O)[O-])c1 ZINC001223414402 880951890 /nfs/dbraw/zinc/95/18/90/880951890.db2.gz DOPYWHXXQCTNOK-LLVKDONJSA-N 1 0 311.358 1.993 20 5 DDBDRO CC[N@@H+]1CC[C@@H](O[C@H](C(=O)OC)c2ccccc2[N+](=O)[O-])C1 ZINC001223641645 881037878 /nfs/dbraw/zinc/03/78/78/881037878.db2.gz BWAWFJWQFFSOLE-RISCZKNCSA-N 1 0 308.334 1.920 20 5 DDBDRO CSCC(=O)NCCC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001233631055 887172662 /nfs/dbraw/zinc/17/26/62/887172662.db2.gz ZWHPSRMUGFENNG-UHFFFAOYSA-N 1 0 311.407 1.896 20 5 DDBDRO C[C@](N)(CO)c1nc(-c2ccc3ccc4cccnc4c3n2)no1 ZINC001247618660 893252624 /nfs/dbraw/zinc/25/26/24/893252624.db2.gz OHIVPLMINJQFKN-KRWDZBQOSA-N 1 0 321.340 1.999 20 5 DDBDRO C[C@]1(c2nc(-c3ncc(F)cc3[N+](=O)[O-])no2)CCC[NH2+]C1 ZINC001248305845 893593492 /nfs/dbraw/zinc/59/34/92/893593492.db2.gz AJALSNGMAVAEJC-ZDUSSCGKSA-N 1 0 307.285 1.820 20 5 DDBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc(C23CC[NH+](CC2)CC3)n1 ZINC001248895020 893764282 /nfs/dbraw/zinc/76/42/82/893764282.db2.gz VBTVUHHACGMUCH-UHFFFAOYSA-N 1 0 319.296 1.916 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3CC[C@H](CO)C3)CC2)cc1 ZINC001254479295 896455659 /nfs/dbraw/zinc/45/56/59/896455659.db2.gz WVTMAJSJBWWWSU-ZDUSSCGKSA-N 1 0 305.378 1.878 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])NC(=[NH2+])N1CCN(C)CC1 ZINC001254541252 896496876 /nfs/dbraw/zinc/49/68/76/896496876.db2.gz ZSRGBVOTPSRVKO-GFCCVEGCSA-N 1 0 305.382 1.298 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N1CC[C@H](S(C)(=O)=O)C1 ZINC001254563471 896500983 /nfs/dbraw/zinc/50/09/83/896500983.db2.gz WVIWBXLZRWLGTB-YPMHNXCESA-N 1 0 312.391 1.645 20 5 DDBDRO CC(=O)N1CCC(C[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254574563 896507942 /nfs/dbraw/zinc/50/79/42/896507942.db2.gz IUUDPZIRUYRKOQ-INIZCTEOSA-N 1 0 317.389 1.910 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]CCN1CCC(F)(F)C1)C2 ZINC001254581953 896512885 /nfs/dbraw/zinc/51/28/85/896512885.db2.gz QQDKMCUMIKTIAY-CYBMUJFWSA-N 1 0 311.332 1.993 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]CCN1CCSCC1)C2 ZINC001254581738 896513378 /nfs/dbraw/zinc/51/33/78/896513378.db2.gz LVAXDNPULGNFMG-CQSZACIVSA-N 1 0 307.419 1.700 20 5 DDBDRO O=C(C[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)NCC(F)(F)F ZINC001254589051 896518707 /nfs/dbraw/zinc/51/87/07/896518707.db2.gz MBTTXEXIRMLNMG-JTQLQIEISA-N 1 0 317.267 1.330 20 5 DDBDRO C[NH+](C)C[C@H]1CN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCO1 ZINC001254593179 896521253 /nfs/dbraw/zinc/52/12/53/896521253.db2.gz JOYLAIHKOCGSSM-HOTGVXAUSA-N 1 0 305.378 1.324 20 5 DDBDRO CC[C@H](CO)[NH2+]C1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC001256082903 897277824 /nfs/dbraw/zinc/27/78/24/897277824.db2.gz NAJNZBNIQZMFFI-GFCCVEGCSA-N 1 0 323.393 1.933 20 5 DDBDRO [NH3+]C[C@@]12CC[C@H]1CCCN2C(=O)COc1ccccc1[N+](=O)[O-] ZINC001263237919 900544317 /nfs/dbraw/zinc/54/43/17/900544317.db2.gz WROJBZQSVMHMFD-WBMJQRKESA-N 1 0 319.361 1.704 20 5 DDBDRO CCCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC001265709854 902329991 /nfs/dbraw/zinc/32/99/91/902329991.db2.gz LORURNYOVXANLC-FOLVSLTJSA-N 1 0 303.362 1.941 20 5 DDBDRO CC/C=C/CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@H]2C1 ZINC001279363794 903236411 /nfs/dbraw/zinc/23/64/11/903236411.db2.gz WJYMGNMLWXXJKS-HIHDZCPBSA-N 1 0 307.394 1.398 20 5 DDBDRO CO[C@H]1C[C@H]([NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])C1(C)C ZINC000451501303 231112803 /nfs/dbraw/zinc/11/28/03/231112803.db2.gz OUPNUIOZHNVEDD-STQMWFEESA-N 1 0 307.350 1.936 20 5 DDBDRO C[C@@H]1C[N@H+](CCCNC(=O)c2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000278770458 214388686 /nfs/dbraw/zinc/38/86/86/214388686.db2.gz XVMYURDGSUSPBS-CYBMUJFWSA-N 1 0 321.377 1.826 20 5 DDBDRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)c1ccccc1[N+](=O)[O-] ZINC000452391453 231375185 /nfs/dbraw/zinc/37/51/85/231375185.db2.gz QBKHTUIDYDBQRK-LBPRGKRZSA-N 1 0 307.350 1.171 20 5 DDBDRO Cc1cc(N(C)CC(C)(CO)CO)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000272830211 210228533 /nfs/dbraw/zinc/22/85/33/210228533.db2.gz KTELJQYCXMANFM-UHFFFAOYSA-N 1 0 319.361 1.879 20 5 DDBDRO CC[C@H](C)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC1 ZINC000298529099 529699828 /nfs/dbraw/zinc/69/98/28/529699828.db2.gz VJSIOMCLOQAQGW-JTQLQIEISA-N 1 0 308.338 1.252 20 5 DDBDRO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@H](O)COCC(F)(F)F ZINC000292578925 530004639 /nfs/dbraw/zinc/00/46/39/530004639.db2.gz ZINUWOFZKQWCRU-NSHDSACASA-N 1 0 322.283 1.966 20 5 DDBDRO C[N@@H+](Cc1cccnc1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000299352071 530006296 /nfs/dbraw/zinc/00/62/96/530006296.db2.gz AHLWKJXPERRNTK-HNNXBMFYSA-N 1 0 317.345 1.862 20 5 DDBDRO C[C@H](CNc1cccc(C(N)=O)c1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000341724031 282472660 /nfs/dbraw/zinc/47/26/60/282472660.db2.gz UXRCBAAAKDCFMW-LLVKDONJSA-N 1 0 306.366 1.838 20 5 DDBDRO COC(=O)COc1ccc(C[NH2+]C[C@@H]2C[C@@H]2C)cc1[N+](=O)[O-] ZINC000353782935 290831860 /nfs/dbraw/zinc/83/18/60/290831860.db2.gz WHGHFZINIZZBCZ-JQWIXIFHSA-N 1 0 308.334 1.892 20 5 DDBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000170812589 197828756 /nfs/dbraw/zinc/82/87/56/197828756.db2.gz CFWSVVYTILGCBC-GFCCVEGCSA-N 1 0 306.366 1.733 20 5 DDBDRO C[C@]1(O)CCC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000280018156 215315996 /nfs/dbraw/zinc/31/59/96/215315996.db2.gz KGJLCEAQBQMINA-CJNGLKHVSA-N 1 0 324.377 1.571 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@H](CCCO)c2ccccc2)c1 ZINC000179727609 186211174 /nfs/dbraw/zinc/21/11/74/186211174.db2.gz KTVKCPNOCDVZKH-OAHLLOKOSA-N 1 0 304.350 1.895 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCC2CC(F)(F)C2)c1 ZINC000564859612 304020367 /nfs/dbraw/zinc/02/03/67/304020367.db2.gz HKLILVDDEHXDFB-NSHDSACASA-N 1 0 304.297 1.177 20 5 DDBDRO CC[NH+]1CCC(NC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)CC1 ZINC000029606173 352241330 /nfs/dbraw/zinc/24/13/30/352241330.db2.gz KMMIKUQGOFRNMQ-UHFFFAOYSA-N 1 0 309.370 1.009 20 5 DDBDRO CC[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000029606546 352242516 /nfs/dbraw/zinc/24/25/16/352242516.db2.gz LIKUEGRKJUDROQ-UHFFFAOYSA-N 1 0 322.321 1.717 20 5 DDBDRO O=C(Cc1ccccc1[N+](=O)[O-])N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000046992557 352474825 /nfs/dbraw/zinc/47/48/25/352474825.db2.gz HYJWIIMMGVFQRA-UKRRQHHQSA-N 1 0 303.362 1.880 20 5 DDBDRO O=C(NCC[NH+]1CCCCC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000047139857 352483100 /nfs/dbraw/zinc/48/31/00/352483100.db2.gz CTSPTEZPLMINQT-UHFFFAOYSA-N 1 0 322.321 1.719 20 5 DDBDRO CSCC[C@H](C)[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000072665978 191212135 /nfs/dbraw/zinc/21/21/35/191212135.db2.gz OZRLKRWEXGKIDH-JQWIXIFHSA-N 1 0 302.400 1.226 20 5 DDBDRO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000049073648 352550060 /nfs/dbraw/zinc/55/00/60/352550060.db2.gz HQLMNFVGRQAUAY-UHFFFAOYSA-N 1 0 306.366 1.871 20 5 DDBDRO CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000056197228 352763643 /nfs/dbraw/zinc/76/36/43/352763643.db2.gz JPLGOUNJJVOJPT-ZJUUUORDSA-N 1 0 308.338 1.480 20 5 DDBDRO CC[NH+]1CCN(C[C@H](C)CNc2ncccc2[N+](=O)[O-])CC1 ZINC000060380156 352869471 /nfs/dbraw/zinc/86/94/71/352869471.db2.gz QZPMGUFITOETSL-CYBMUJFWSA-N 1 0 307.398 1.675 20 5 DDBDRO C[C@H]1CCC[C@](CNc2ncc([N+](=O)[O-])c(N)n2)([NH+](C)C)C1 ZINC000060452322 352873253 /nfs/dbraw/zinc/87/32/53/352873253.db2.gz NBSGKKRZEWXFCT-HZMBPMFUSA-N 1 0 308.386 1.889 20 5 DDBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)[NH+](C)C ZINC000066611840 353007640 /nfs/dbraw/zinc/00/76/40/353007640.db2.gz IXIWCJUPPBEODR-VIFPVBQESA-N 1 0 309.322 1.046 20 5 DDBDRO COC(=O)c1cc(C(=O)NCC[N@H+](C)C2CC2)cc([N+](=O)[O-])c1 ZINC000067701828 353062566 /nfs/dbraw/zinc/06/25/66/353062566.db2.gz IOKCSYNTYBIFQQ-UHFFFAOYSA-N 1 0 321.333 1.205 20 5 DDBDRO O=C(/C=C/c1cccc([N+](=O)[O-])c1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000067703545 353063670 /nfs/dbraw/zinc/06/36/70/353063670.db2.gz LFLATDWQKVCQAT-LVDDQXARSA-N 1 0 301.346 1.961 20 5 DDBDRO CC[NH+](CC)CCNC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000069373115 353158669 /nfs/dbraw/zinc/15/86/69/353158669.db2.gz AQUFTGGEBJOILD-UHFFFAOYSA-N 1 0 309.366 1.604 20 5 DDBDRO C[C@H](CC[NH+](C)C)NC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000069425917 353161053 /nfs/dbraw/zinc/16/10/53/353161053.db2.gz KZYKNEBMOHCDNO-GFCCVEGCSA-N 1 0 324.381 1.613 20 5 DDBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000074326553 353307322 /nfs/dbraw/zinc/30/73/22/353307322.db2.gz YYKDLXVOEFZACD-LBPRGKRZSA-N 1 0 307.350 1.992 20 5 DDBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000174530672 198347606 /nfs/dbraw/zinc/34/76/06/198347606.db2.gz DVLPVZRDZMXOQH-JTQLQIEISA-N 1 0 324.356 1.730 20 5 DDBDRO C[N@@H+](Cc1ccccc1F)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174655799 198365265 /nfs/dbraw/zinc/36/52/65/198365265.db2.gz ASKIYJOPALFYLA-CYBMUJFWSA-N 1 0 308.313 1.423 20 5 DDBDRO C[N@H+](CCCc1ccccc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174732929 198377560 /nfs/dbraw/zinc/37/75/60/198377560.db2.gz LYTPRIKMITZHMW-MRXNPFEDSA-N 1 0 318.377 1.717 20 5 DDBDRO C[NH+](C)CC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174803999 198387598 /nfs/dbraw/zinc/38/75/98/198387598.db2.gz VYWUHNWASWYBHP-UHFFFAOYSA-N 1 0 307.350 1.526 20 5 DDBDRO COC1CC[NH+](CCNC(=O)c2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000079998273 353586659 /nfs/dbraw/zinc/58/66/59/353586659.db2.gz ZBVGVZBITZJYSY-UHFFFAOYSA-N 1 0 321.377 1.744 20 5 DDBDRO CC(C)(C(=O)NC1CC[NH+](C2CC2)CC1)n1cc([N+](=O)[O-])cn1 ZINC000102325812 353925425 /nfs/dbraw/zinc/92/54/25/353925425.db2.gz KOJWBKKSHLNDSE-UHFFFAOYSA-N 1 0 321.381 1.269 20 5 DDBDRO CC[NH+]1CCN([C@H](C)CNc2nc(C)ccc2[N+](=O)[O-])CC1 ZINC000121346430 354018377 /nfs/dbraw/zinc/01/83/77/354018377.db2.gz ZXVWCIISXXONCB-CYBMUJFWSA-N 1 0 307.398 1.736 20 5 DDBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000176864444 198630406 /nfs/dbraw/zinc/63/04/06/198630406.db2.gz YWHVZKCOPASHET-OAHLLOKOSA-N 1 0 323.393 1.610 20 5 DDBDRO O=C(NCc1cccc([N+](=O)[O-])c1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000315422018 354494311 /nfs/dbraw/zinc/49/43/11/354494311.db2.gz MLHBBZJVOBKFMS-LBPRGKRZSA-N 1 0 317.267 1.753 20 5 DDBDRO CCOc1cc(N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000405744744 354679195 /nfs/dbraw/zinc/67/91/95/354679195.db2.gz ZXKFHATWCXWXTK-QWHCGFSZSA-N 1 0 307.350 1.249 20 5 DDBDRO O=C(/C=C\c1ccccc1[N+](=O)[O-])N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000493768940 234926777 /nfs/dbraw/zinc/92/67/77/234926777.db2.gz FFXNYCFDPKHBHS-BMWLXYDHSA-N 1 0 301.346 1.961 20 5 DDBDRO CC(C)[NH+]1CCC(Nc2cc(N)c([N+](=O)[O-])c(CO)c2)CC1 ZINC000587019702 354878420 /nfs/dbraw/zinc/87/84/20/354878420.db2.gz DDUQUQIOBCUAAD-UHFFFAOYSA-N 1 0 308.382 1.954 20 5 DDBDRO C[N@@H+]1C[C@H]2CCN(Cc3cc([N+](=O)[O-])cc4c3OCOC4)[C@H]2C1 ZINC000590010673 355040036 /nfs/dbraw/zinc/04/00/36/355040036.db2.gz OSRDJTJXTLYSJK-ABAIWWIYSA-N 1 0 319.361 1.597 20 5 DDBDRO CCC[N@@H+]1CC[C@H](CNc2nccc(C(=O)OC)c2[N+](=O)[O-])C1 ZINC000590573553 355117348 /nfs/dbraw/zinc/11/73/48/355117348.db2.gz BPHVGQOIJOKFTG-LLVKDONJSA-N 1 0 322.365 1.920 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](O)[C@H]1C ZINC000590762147 355170112 /nfs/dbraw/zinc/17/01/12/355170112.db2.gz HYUMIZBGACTLRZ-ZWNOBZJWSA-N 1 0 323.349 1.387 20 5 DDBDRO [NH3+][C@@H]1CCC[C@H](NC(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000591351671 355296019 /nfs/dbraw/zinc/29/60/19/355296019.db2.gz OMXPOIPBPCOEQN-NEPJUHHUSA-N 1 0 322.365 1.543 20 5 DDBDRO COC(=O)c1cc(N2CC[C@@H]3CC[NH2+][C@@H]3C2)cc(C)c1[N+](=O)[O-] ZINC000591438181 355311115 /nfs/dbraw/zinc/31/11/15/355311115.db2.gz MONQPICCPFSTGW-SMDDNHRTSA-N 1 0 319.361 1.878 20 5 DDBDRO CN(C[C@H]1CCC[N@@H+]1C)c1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000591464148 355317359 /nfs/dbraw/zinc/31/73/59/355317359.db2.gz AVSXBHWGDRRQFX-SNVBAGLBSA-N 1 0 317.349 1.774 20 5 DDBDRO Cn1ccnc1[C@H](NCC[NH2+]C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000591577225 355329531 /nfs/dbraw/zinc/32/95/31/355329531.db2.gz CXTYFICCDQHZEN-OAHLLOKOSA-N 1 0 315.377 1.759 20 5 DDBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCC[NH2+]C1CC1 ZINC000591577325 355330139 /nfs/dbraw/zinc/33/01/39/355330139.db2.gz PYJGXWIMAUFJFJ-NSHDSACASA-N 1 0 306.366 1.654 20 5 DDBDRO [NH3+]CC[C@@H](NCc1cc2c(cc1[N+](=O)[O-])OCCO2)C(F)F ZINC000591281392 355277011 /nfs/dbraw/zinc/27/70/11/355277011.db2.gz FYRPFTUTZBDEHW-SECBINFHSA-N 1 0 317.292 1.438 20 5 DDBDRO O=[N+]([O-])c1cc(CN2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)cs1 ZINC000591284965 355278898 /nfs/dbraw/zinc/27/88/98/355278898.db2.gz FYADLGDPINMJKM-OLZOCXBDSA-N 1 0 323.418 1.857 20 5 DDBDRO COc1cc(OCC(=O)N2CC[NH2+]CC2(C)C)ccc1[N+](=O)[O-] ZINC000591678577 355360072 /nfs/dbraw/zinc/36/00/72/355360072.db2.gz ZNZSDJBVQJPPPA-UHFFFAOYSA-N 1 0 323.349 1.193 20 5 DDBDRO COc1ccc(CC(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000591676548 355360492 /nfs/dbraw/zinc/36/04/92/355360492.db2.gz WYSNIRUSAURUBQ-FZMZJTMJSA-N 1 0 321.377 1.732 20 5 DDBDRO COc1cc(C(=O)N[C@@H]2CC23CC[NH2+]CC3)cc([N+](=O)[O-])c1C ZINC000591685895 355361919 /nfs/dbraw/zinc/36/19/19/355361919.db2.gz XEHRNSVYQMTQGK-CQSZACIVSA-N 1 0 319.361 1.784 20 5 DDBDRO O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000591892238 355413813 /nfs/dbraw/zinc/41/38/13/355413813.db2.gz HKVFEEWOWGQGHJ-ZWNOBZJWSA-N 1 0 320.349 1.300 20 5 DDBDRO CC[C@H]1CN(C(=O)COc2cccc([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000592332039 355561003 /nfs/dbraw/zinc/56/10/03/355561003.db2.gz SLVNUTXPHSMRMG-SMDDNHRTSA-N 1 0 307.350 1.559 20 5 DDBDRO COC(=O)[C@H]1C[NH2+]CCCN1Cc1ccc([N+](=O)[O-])cc1C ZINC000592433422 355582818 /nfs/dbraw/zinc/58/28/18/355582818.db2.gz FFYWAJHPCMPVDV-CQSZACIVSA-N 1 0 307.350 1.240 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(C)CCN1CC[NH2+]CC1 ZINC000592469386 355591818 /nfs/dbraw/zinc/59/18/18/355591818.db2.gz MMVMVDSZNGAMKD-UHFFFAOYSA-N 1 0 320.393 1.189 20 5 DDBDRO C[C@]1(C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)CCC[NH2+]C1 ZINC000592563387 355630345 /nfs/dbraw/zinc/63/03/45/355630345.db2.gz WGDKRYXMZJKUFB-HNNXBMFYSA-N 1 0 321.381 1.345 20 5 DDBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1C[C@@H](C(N)=O)C1 ZINC000593670473 355962354 /nfs/dbraw/zinc/96/23/54/355962354.db2.gz RADHKWKUURERCG-FOGDFJRCSA-N 1 0 320.349 1.165 20 5 DDBDRO CN(CC[NH+]1CCCCC1)C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000593883489 356040063 /nfs/dbraw/zinc/04/00/63/356040063.db2.gz PDIFAWHYDKKTIK-UHFFFAOYSA-N 1 0 306.366 1.735 20 5 DDBDRO Cc1c(CC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)cccc1[N+](=O)[O-] ZINC000594103053 356113950 /nfs/dbraw/zinc/11/39/50/356113950.db2.gz UPWWTWOQFPNRFF-XBXGTLAGSA-N 1 0 305.378 1.902 20 5 DDBDRO Cn1c(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)ccc1[N+](=O)[O-] ZINC000594204725 356139160 /nfs/dbraw/zinc/13/91/60/356139160.db2.gz XSYHNFBNPQEGOI-NEPJUHHUSA-N 1 0 306.366 1.680 20 5 DDBDRO Cc1nn(C)c(NC[C@H](C)N2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000594591216 356258436 /nfs/dbraw/zinc/25/84/36/356258436.db2.gz IBHMZRGCXNYTHM-GARJFASQSA-N 1 0 311.386 1.546 20 5 DDBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000594613780 356266179 /nfs/dbraw/zinc/26/61/79/356266179.db2.gz UORWFRXNXYLKQP-QIDGOZRWSA-N 1 0 317.389 1.749 20 5 DDBDRO O=C(NC[C@@H]1CCC[NH2+]C1)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000594627463 356269243 /nfs/dbraw/zinc/26/92/43/356269243.db2.gz YACLMCVEBIRCNC-SNVBAGLBSA-N 1 0 302.334 1.806 20 5 DDBDRO Cn1ncc(C2CCC2)c1C[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000594931820 356357912 /nfs/dbraw/zinc/35/79/12/356357912.db2.gz RWAOCFTUBRFQIJ-UHFFFAOYSA-N 1 0 304.354 1.582 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCc1nnnn1C ZINC000595014304 356372066 /nfs/dbraw/zinc/37/20/66/356372066.db2.gz NSMQDJPQKSEGME-VIFPVBQESA-N 1 0 306.326 1.020 20 5 DDBDRO Cc1noc(C[N@H+]2CC[C@@H](Cc3cnn(C)c3)C2)c1[N+](=O)[O-] ZINC000595339545 356454725 /nfs/dbraw/zinc/45/47/25/356454725.db2.gz YHLPEDCALJQYKN-NSHDSACASA-N 1 0 305.338 1.689 20 5 DDBDRO C[NH2+]C[C@H]1CCN(S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])C1 ZINC000601337604 358505646 /nfs/dbraw/zinc/50/56/46/358505646.db2.gz FBCGEVKZEGDYSV-SECBINFHSA-N 1 0 319.408 1.195 20 5 DDBDRO C[C@@H](NC(=O)N(C)CC1C[NH+](C)C1)c1ccccc1[N+](=O)[O-] ZINC000595583019 356562285 /nfs/dbraw/zinc/56/22/85/356562285.db2.gz ULSQDJBDEIKXNK-LLVKDONJSA-N 1 0 306.366 1.859 20 5 DDBDRO C[C@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@H]1CCO ZINC000595706886 356616822 /nfs/dbraw/zinc/61/68/22/356616822.db2.gz YEYWJSSLLYJQPZ-JSGCOSHPSA-N 1 0 309.366 1.239 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC000595728810 356624934 /nfs/dbraw/zinc/62/49/34/356624934.db2.gz PGGNRDWJKMDCQK-BXUZGUMPSA-N 1 0 319.361 1.704 20 5 DDBDRO C[C@]12COC[C@H]1C[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C2 ZINC000595758427 356640121 /nfs/dbraw/zinc/64/01/21/356640121.db2.gz MYBJAFYYLDLOPZ-WWGRRREGSA-N 1 0 322.361 1.303 20 5 DDBDRO COc1ccc(OCC[NH2+][C@H]2C[C@@H](O)C23CCC3)c([N+](=O)[O-])c1 ZINC000595786038 356652177 /nfs/dbraw/zinc/65/21/77/356652177.db2.gz YXASLTWUHCVFRH-LSDHHAIUSA-N 1 0 322.361 1.875 20 5 DDBDRO C[NH2+]C[C@@H]1CCCN1C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000237073481 202142937 /nfs/dbraw/zinc/14/29/37/202142937.db2.gz YISGRVZSWZBBHA-HNNXBMFYSA-N 1 0 320.393 1.997 20 5 DDBDRO C[NH2+]C[C@@H]1CCCN1C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000237084728 202148576 /nfs/dbraw/zinc/14/85/76/202148576.db2.gz ZOVGRMRYHSROEA-LBPRGKRZSA-N 1 0 306.366 1.241 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2C[C@@H](C)[C@](C)(CO)C2)c1 ZINC000595860918 356681317 /nfs/dbraw/zinc/68/13/17/356681317.db2.gz NBEQAVFLSDIWMR-BZNIZROVSA-N 1 0 322.361 1.832 20 5 DDBDRO O=[N+]([O-])c1ccc(CCN2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000595867570 356684923 /nfs/dbraw/zinc/68/49/23/356684923.db2.gz OUZSTERCCBGRBX-QGZVFWFLSA-N 1 0 319.405 1.668 20 5 DDBDRO COc1ccc(C(=O)NCC[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000237139704 202163713 /nfs/dbraw/zinc/16/37/13/202163713.db2.gz KMPREUYVRLMBDC-NSHDSACASA-N 1 0 307.350 1.723 20 5 DDBDRO C[C@]1(NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC[NH2+]C1 ZINC000595992876 356739419 /nfs/dbraw/zinc/73/94/19/356739419.db2.gz TXPRDXMPNBAMIS-HNNXBMFYSA-N 1 0 315.333 1.262 20 5 DDBDRO COC(=O)c1cc(NC(=O)[C@]2(C)CCC[NH2+]C2)cc([N+](=O)[O-])c1 ZINC000237187265 202179847 /nfs/dbraw/zinc/17/98/47/202179847.db2.gz ZHCBYXPKDOQRGC-OAHLLOKOSA-N 1 0 321.333 1.710 20 5 DDBDRO COC(=O)c1cc(NC(=O)C2([NH3+])CCCC2)cc([N+](=O)[O-])c1 ZINC000237184665 202181143 /nfs/dbraw/zinc/18/11/43/202181143.db2.gz ITCWHTODMWIYDV-UHFFFAOYSA-N 1 0 307.306 1.591 20 5 DDBDRO O=[N+]([O-])c1cncc(Cl)c1NC[C@H]1CCC[N@H+]1CCCO ZINC000596257490 356834928 /nfs/dbraw/zinc/83/49/28/356834928.db2.gz LFEYKXUUZSAYNM-SNVBAGLBSA-N 1 0 314.773 1.324 20 5 DDBDRO CC(C)(C[NH+]1CCCC1)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596266928 356838979 /nfs/dbraw/zinc/83/89/79/356838979.db2.gz ZHUZNDXDHPDPIY-UHFFFAOYSA-N 1 0 306.366 1.980 20 5 DDBDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000596308412 356852666 /nfs/dbraw/zinc/85/26/66/356852666.db2.gz RUHOIJJSXNYRRL-GFCCVEGCSA-N 1 0 308.382 1.954 20 5 DDBDRO Cn1ncc2c1CC(C)(C)C[N@H+](CCn1ccc([N+](=O)[O-])n1)C2 ZINC000596598799 356930035 /nfs/dbraw/zinc/93/00/35/356930035.db2.gz KSBBCAZKMKCOTJ-UHFFFAOYSA-N 1 0 318.381 1.609 20 5 DDBDRO C[NH+]1CC2(C1)CCN(C(=O)c1cc3c(cc1[N+](=O)[O-])OCO3)C2 ZINC000597572318 357232935 /nfs/dbraw/zinc/23/29/35/357232935.db2.gz PLAQHCPVOXUCCZ-UHFFFAOYSA-N 1 0 319.317 1.101 20 5 DDBDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000597857376 357360477 /nfs/dbraw/zinc/36/04/77/357360477.db2.gz FRVXFSMESXVEAB-SNVBAGLBSA-N 1 0 306.366 1.780 20 5 DDBDRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000597924423 357383425 /nfs/dbraw/zinc/38/34/25/357383425.db2.gz REYRUZZVKXTJLI-JTQLQIEISA-N 1 0 306.366 1.780 20 5 DDBDRO COc1cc(C(=O)N(C)CC2C[NH+](C)C2)c([N+](=O)[O-])cc1F ZINC000598162624 357478978 /nfs/dbraw/zinc/47/89/78/357478978.db2.gz XDCZSWZFJDJGPK-UHFFFAOYSA-N 1 0 311.313 1.376 20 5 DDBDRO CCC[N@@H+]1CC[C@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000598342912 357545014 /nfs/dbraw/zinc/54/50/14/357545014.db2.gz OUHWMDXRELPQTR-LBPRGKRZSA-N 1 0 307.350 1.574 20 5 DDBDRO O=C(CC[C@@H]1CCC[NH2+]C1)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000598665167 357676703 /nfs/dbraw/zinc/67/67/03/357676703.db2.gz TZGJEQFJMHJXBA-ZDUSSCGKSA-N 1 0 320.393 1.903 20 5 DDBDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000598747072 357713893 /nfs/dbraw/zinc/71/38/93/357713893.db2.gz VLLRTFUFDZCMRX-SECBINFHSA-N 1 0 308.338 1.298 20 5 DDBDRO C[NH2+]C[C@@H](C)NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C ZINC000598721138 357703365 /nfs/dbraw/zinc/70/33/65/357703365.db2.gz STZJWBZMEHYEBB-SECBINFHSA-N 1 0 301.368 1.098 20 5 DDBDRO CCNc1ccc(C(=O)N(C)CC2C[NH+](C)C2)cc1[N+](=O)[O-] ZINC000598868373 357747358 /nfs/dbraw/zinc/74/73/58/357747358.db2.gz SEWDOHPHDUZSDB-UHFFFAOYSA-N 1 0 306.366 1.660 20 5 DDBDRO [NH3+]C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1F)C(F)(F)F ZINC000598914066 357756904 /nfs/dbraw/zinc/75/69/04/357756904.db2.gz WUZJSTKGYYMQCA-QMMMGPOBSA-N 1 0 310.207 1.745 20 5 DDBDRO COc1ccc(C[NH2+][C@@H]2CCN(C3CCC3)C2=O)cc1[N+](=O)[O-] ZINC000599020794 357796237 /nfs/dbraw/zinc/79/62/37/357796237.db2.gz USSRSCPRVNEVKI-CYBMUJFWSA-N 1 0 319.361 1.846 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@H]1COCCN1C ZINC000599081680 357809013 /nfs/dbraw/zinc/80/90/13/357809013.db2.gz UFEMJGUYRREWOU-DGCLKSJQSA-N 1 0 309.366 1.585 20 5 DDBDRO CC1([NH+]2CCOCC2)CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000599160993 357833603 /nfs/dbraw/zinc/83/36/03/357833603.db2.gz SCXZJFLRHYUBKE-UHFFFAOYSA-N 1 0 306.366 1.681 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000599602957 357989699 /nfs/dbraw/zinc/98/96/99/357989699.db2.gz BCERRQIHNJKOJF-VHSXEESVSA-N 1 0 308.338 1.865 20 5 DDBDRO COc1ccc(NC(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)cc1[N+](=O)[O-] ZINC000599603041 357989927 /nfs/dbraw/zinc/98/99/27/357989927.db2.gz DDEDVORQHZBGPF-KOLCDFICSA-N 1 0 308.338 1.865 20 5 DDBDRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)c3ccc(Cl)cc3[N+](=O)[O-])C[C@H]21 ZINC000599988475 358097187 /nfs/dbraw/zinc/09/71/87/358097187.db2.gz FKJSVNHKMCAPLQ-PJXYFTJBSA-N 1 0 309.753 1.880 20 5 DDBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@H]2COCCN2)cc1[N+](=O)[O-] ZINC000600710236 358290778 /nfs/dbraw/zinc/29/07/78/358290778.db2.gz MUAJAHXTJXTOAZ-YPMHNXCESA-N 1 0 309.366 1.633 20 5 DDBDRO CN(CCOCC[NH3+])Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000600736784 358301779 /nfs/dbraw/zinc/30/17/79/358301779.db2.gz SCZWZUAJKFMCHN-UHFFFAOYSA-N 1 0 321.337 1.052 20 5 DDBDRO Cc1ccccc1[C@@H]1C[C@H]1[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000600756189 358308838 /nfs/dbraw/zinc/30/88/38/358308838.db2.gz FPTQWISSEOULMX-CWRNSKLLSA-N 1 0 316.361 1.606 20 5 DDBDRO COc1cc(CN(C)CCOCC[NH3+])c([N+](=O)[O-])cc1OC ZINC000600775393 358312321 /nfs/dbraw/zinc/31/23/21/358312321.db2.gz NOMWHQWIXKNGBU-UHFFFAOYSA-N 1 0 313.354 1.019 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000600809432 358320879 /nfs/dbraw/zinc/32/08/79/358320879.db2.gz YKIXVSXAOKRTAY-LBPRGKRZSA-N 1 0 307.350 1.008 20 5 DDBDRO COC(=O)c1cnc(N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c([N+](=O)[O-])c1 ZINC000276627920 213009879 /nfs/dbraw/zinc/00/98/79/213009879.db2.gz VRYGDUKREGRVPS-NEPJUHHUSA-N 1 0 320.349 1.815 20 5 DDBDRO CC[N@@H+]1C[C@H](C)N(c2ccc3ncc([N+](=O)[O-])n3n2)C[C@H]1C ZINC000348109422 283372844 /nfs/dbraw/zinc/37/28/44/283372844.db2.gz VLXMWIGSXGNZTM-MNOVXSKESA-N 1 0 304.354 1.556 20 5 DDBDRO C[NH+](C)C[C@@H](CO)NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601591062 358615382 /nfs/dbraw/zinc/61/53/82/358615382.db2.gz ZDLIFMJONYVQPU-ZDUSSCGKSA-N 1 0 321.377 1.055 20 5 DDBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000601973090 358760669 /nfs/dbraw/zinc/76/06/69/358760669.db2.gz HCSGNEXPSCBAAN-CJNGLKHVSA-N 1 0 303.362 1.786 20 5 DDBDRO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)c1ccc(F)cc1[N+](=O)[O-])C2 ZINC000601976153 358761935 /nfs/dbraw/zinc/76/19/35/358761935.db2.gz NQZAXGOGPMYOEW-GASCZTMLSA-N 1 0 307.325 1.806 20 5 DDBDRO O=[N+]([O-])c1cc(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)c2c(c1)COCO2 ZINC000601976983 358762747 /nfs/dbraw/zinc/76/27/47/358762747.db2.gz SFQHIDJEFSUMJK-BETUJISGSA-N 1 0 306.318 1.540 20 5 DDBDRO COc1ccc(CNC(=O)C[C@H]2CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000602080587 358804060 /nfs/dbraw/zinc/80/40/60/358804060.db2.gz PYFUYWQILCYTSC-GFCCVEGCSA-N 1 0 307.350 1.561 20 5 DDBDRO COC[C@@]1(C(=O)NCc2ccc([N+](=O)[O-])cc2)CCCC[NH2+]1 ZINC000602441867 358979139 /nfs/dbraw/zinc/97/91/39/358979139.db2.gz ZHZRRGPRAAKEDN-OAHLLOKOSA-N 1 0 307.350 1.370 20 5 DDBDRO O=C(NC[C@H]1CCC[NH2+]1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000602429106 358971049 /nfs/dbraw/zinc/97/10/49/358971049.db2.gz RWAUUFSHGSMBCQ-CYBMUJFWSA-N 1 0 303.362 1.885 20 5 DDBDRO Cn1cc(CN2CCN(c3cc[nH+]cc3)CC2)c([N+](=O)[O-])n1 ZINC000602434894 358974072 /nfs/dbraw/zinc/97/40/72/358974072.db2.gz GKNVBEXJIHMTGG-UHFFFAOYSA-N 1 0 302.338 1.046 20 5 DDBDRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000602542933 359035252 /nfs/dbraw/zinc/03/52/52/359035252.db2.gz BANGHVQJDYDAFX-NWDGAFQWSA-N 1 0 306.366 1.288 20 5 DDBDRO C[C@H]1CC[C@H](NC(=O)CSc2ccc([N+](=O)[O-])cc2)C[NH2+]1 ZINC000602551741 359041134 /nfs/dbraw/zinc/04/11/34/359041134.db2.gz DSLRCRHZVLTDBP-QWRGUYRKSA-N 1 0 309.391 1.944 20 5 DDBDRO CC(=O)NC1CCC([N@@H+](C)Cc2cn(C)nc2[N+](=O)[O-])CC1 ZINC000602606192 359069563 /nfs/dbraw/zinc/06/95/63/359069563.db2.gz BRJXBLPVZFWQQG-UHFFFAOYSA-N 1 0 309.370 1.207 20 5 DDBDRO O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000602590405 359058865 /nfs/dbraw/zinc/05/88/65/359058865.db2.gz HFTOLNSFDNGXDI-PHIMTYICSA-N 1 0 312.329 1.719 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)[C@H](CO)c1ccccc1 ZINC000602772816 359179727 /nfs/dbraw/zinc/17/97/27/359179727.db2.gz KTPUANCEKGVTNH-CQSZACIVSA-N 1 0 304.350 1.765 20 5 DDBDRO CCN(C)C(=O)[C@@H]([NH2+]CCn1c(C)ncc1[N+](=O)[O-])C(C)C ZINC000602834850 359226249 /nfs/dbraw/zinc/22/62/49/359226249.db2.gz FDVLFTWLPWIEEH-ZDUSSCGKSA-N 1 0 311.386 1.192 20 5 DDBDRO O=[N+]([O-])c1ccc(CCN2CCN(Cc3nc[nH]n3)CC2)cc1 ZINC000602866212 359250017 /nfs/dbraw/zinc/25/00/17/359250017.db2.gz NJJKSQKVQDDNGH-UHFFFAOYSA-N 1 0 316.365 1.073 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(Cn2cncn2)CC1 ZINC000602810144 359206775 /nfs/dbraw/zinc/20/67/75/359206775.db2.gz DWRCQUJIFDUWOB-UHFFFAOYSA-N 1 0 319.369 1.103 20 5 DDBDRO CCOC(=O)CC[N@H+](CCn1c(C)ncc1[N+](=O)[O-])C(C)C ZINC000602873896 359257215 /nfs/dbraw/zinc/25/72/15/359257215.db2.gz TXKQMCQMMCLAIG-UHFFFAOYSA-N 1 0 312.370 1.763 20 5 DDBDRO CO[C@@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@](C)(CO)C1 ZINC000602964530 359327879 /nfs/dbraw/zinc/32/78/79/359327879.db2.gz QZKMVBBUWMCDFW-GJZGRUSLSA-N 1 0 310.350 1.445 20 5 DDBDRO CCOc1cc(C[N@@H+]2C[C@H](OC)C[C@]2(C)CO)ccc1[N+](=O)[O-] ZINC000602964945 359328832 /nfs/dbraw/zinc/32/88/32/359328832.db2.gz WNRYUACUJOVMMJ-CZUORRHYSA-N 1 0 324.377 1.965 20 5 DDBDRO C[C@](CO)([NH2+]CCCN1CCCC1=O)c1cccc([N+](=O)[O-])c1 ZINC000602965583 359328883 /nfs/dbraw/zinc/32/88/83/359328883.db2.gz IZJNYXFBFATKRW-MRXNPFEDSA-N 1 0 321.377 1.404 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@H](O)[C@@H]2CCCC[C@H]21 ZINC000602997599 359345841 /nfs/dbraw/zinc/34/58/41/359345841.db2.gz NKDLRMNACFFHFG-MCIONIFRSA-N 1 0 308.382 1.725 20 5 DDBDRO CC[N@H+]1[C@H](C)CN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000603145780 359434268 /nfs/dbraw/zinc/43/42/68/359434268.db2.gz POAGGNBRCMOASI-AOOOYVTPSA-N 1 0 308.338 1.250 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1Cn1cc([C@@H]2CCC[NH2+]C2)nn1 ZINC000603243379 359509960 /nfs/dbraw/zinc/50/99/60/359509960.db2.gz LRXZMWOLYXTXHY-LLVKDONJSA-N 1 0 317.349 1.710 20 5 DDBDRO C[C@H]1COCC[N@@H+]1C1CCN(c2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000603401263 359617880 /nfs/dbraw/zinc/61/78/80/359617880.db2.gz KPMNSPJOJHQTOA-NSHDSACASA-N 1 0 324.356 1.818 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccccc1 ZINC000603417408 359627008 /nfs/dbraw/zinc/62/70/08/359627008.db2.gz YWZCXFVUXJBQHM-KBPBESRZSA-N 1 0 313.361 1.791 20 5 DDBDRO Cn1cc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c([N+](=O)[O-])n1 ZINC000603430022 359635190 /nfs/dbraw/zinc/63/51/90/359635190.db2.gz QIVYWIIUNRJICL-OLZOCXBDSA-N 1 0 307.398 1.540 20 5 DDBDRO C[C@@H](O)C[N@@H+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000186963124 200038885 /nfs/dbraw/zinc/03/88/85/200038885.db2.gz UGLQOHGLRDBMOI-CHWSQXEVSA-N 1 0 321.377 1.051 20 5 DDBDRO CN1CC[NH+](CC2CCN(c3cccnc3[N+](=O)[O-])CC2)CC1 ZINC000604379705 359743071 /nfs/dbraw/zinc/74/30/71/359743071.db2.gz JPLZLEIQFPXBEI-UHFFFAOYSA-N 1 0 319.409 1.454 20 5 DDBDRO C[C@H](C[NH3+])N(C)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000237639960 202314165 /nfs/dbraw/zinc/31/41/65/202314165.db2.gz BMYQTLGLZOKYDO-LLVKDONJSA-N 1 0 306.366 1.614 20 5 DDBDRO COC1(CO)CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000618550820 363667575 /nfs/dbraw/zinc/66/75/75/363667575.db2.gz HDVIYERIPHTQDA-UHFFFAOYSA-N 1 0 310.350 1.447 20 5 DDBDRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000237876234 202375256 /nfs/dbraw/zinc/37/52/56/202375256.db2.gz VJPULZMUMWDYHV-FZMZJTMJSA-N 1 0 307.350 1.607 20 5 DDBDRO C[C@@H](O)C[NH+]1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000189349296 200385683 /nfs/dbraw/zinc/38/56/83/200385683.db2.gz MCDVECOVRBUNRR-LLVKDONJSA-N 1 0 313.785 1.747 20 5 DDBDRO O=C(NCc1ccccc1[N+](=O)[O-])N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000609399723 360304512 /nfs/dbraw/zinc/30/45/12/360304512.db2.gz LPUNLAYTAOWHFE-AWEZNQCLSA-N 1 0 318.377 1.878 20 5 DDBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCCOCC1 ZINC000609766439 360349698 /nfs/dbraw/zinc/34/96/98/360349698.db2.gz YPWOTSABSGARNR-UHFFFAOYSA-N 1 0 321.333 1.615 20 5 DDBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccncc2[N+](=O)[O-])C[C@@H]1C ZINC000359020301 299308333 /nfs/dbraw/zinc/30/83/33/299308333.db2.gz PUAGKZAOZTWVGH-NWDGAFQWSA-N 1 0 321.381 1.748 20 5 DDBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000609878513 360360670 /nfs/dbraw/zinc/36/06/70/360360670.db2.gz WUXAVDLXFJQYRZ-ZDUSSCGKSA-N 1 0 320.393 1.997 20 5 DDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000610240094 360395360 /nfs/dbraw/zinc/39/53/60/360395360.db2.gz VJKUAIPGGHSDKO-CQSZACIVSA-N 1 0 303.362 1.738 20 5 DDBDRO CC[C@H](C[NH+]1CCCC1)Nc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000610715969 360514577 /nfs/dbraw/zinc/51/45/77/360514577.db2.gz OOFRVNRURQWMMP-GFCCVEGCSA-N 1 0 306.366 1.980 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC000610798380 360540017 /nfs/dbraw/zinc/54/00/17/360540017.db2.gz YNEGUSPLHCJQFX-VXGBXAGGSA-N 1 0 312.391 1.989 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CC[C@H](C(F)F)C2)c1 ZINC000611180227 360652170 /nfs/dbraw/zinc/65/21/70/360652170.db2.gz VGILWVDWTVSJCA-CMPLNLGQSA-N 1 0 316.304 1.922 20 5 DDBDRO CC[N@@H+]1CCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000611087626 360618631 /nfs/dbraw/zinc/61/86/31/360618631.db2.gz ZIBMCHZCLUYAHO-CYBMUJFWSA-N 1 0 320.393 1.584 20 5 DDBDRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(c2ccsc2[N+](=O)[O-])CC1 ZINC000611242539 360676858 /nfs/dbraw/zinc/67/68/58/360676858.db2.gz SJOZWHXHZDQLTC-LLVKDONJSA-N 1 0 324.406 1.575 20 5 DDBDRO Cc1cc(C(=O)NCC2=CC[N@H+](C)CC2)c(N)c([N+](=O)[O-])c1 ZINC000272021038 209391820 /nfs/dbraw/zinc/39/18/20/209391820.db2.gz VFZFEAOEQBGEPW-UHFFFAOYSA-N 1 0 304.350 1.477 20 5 DDBDRO CC[NH2+]CCNS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000193255617 201014958 /nfs/dbraw/zinc/01/49/58/201014958.db2.gz LAIIRMCOWMIEBA-UHFFFAOYSA-N 1 0 301.368 1.099 20 5 DDBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000193574215 201078250 /nfs/dbraw/zinc/07/82/50/201078250.db2.gz QMGNXXBZDBUEON-LLVKDONJSA-N 1 0 308.338 1.300 20 5 DDBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000174392653 306685669 /nfs/dbraw/zinc/68/56/69/306685669.db2.gz NKJCCSBUYDDGCX-HNNXBMFYSA-N 1 0 316.361 1.751 20 5 DDBDRO CC(C)(C)[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC1 ZINC000194334458 201204501 /nfs/dbraw/zinc/20/45/01/201204501.db2.gz BLKHCUUSUNDMQT-UHFFFAOYSA-N 1 0 322.365 1.688 20 5 DDBDRO C[C@H]1[C@@H]([NH3+])CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000261717202 291281546 /nfs/dbraw/zinc/28/15/46/291281546.db2.gz JWVNIDIIAKEJCP-XVKPBYJWSA-N 1 0 319.770 1.358 20 5 DDBDRO NC(=O)c1cc([N+](=O)[O-])cnc1NCCCCC[NH+]1CCCC1 ZINC000292887459 223293402 /nfs/dbraw/zinc/29/34/02/223293402.db2.gz VLGUNSGYSLRXJE-UHFFFAOYSA-N 1 0 321.381 1.767 20 5 DDBDRO CCCc1n[nH]c(C(=O)N(C)CCC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000281577050 216394864 /nfs/dbraw/zinc/39/48/64/216394864.db2.gz BGJXDBRLCVATFV-UHFFFAOYSA-N 1 0 323.397 1.828 20 5 DDBDRO C[C@@](O)(CO)C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000619464228 364023591 /nfs/dbraw/zinc/02/35/91/364023591.db2.gz BHCCZPKKPOFVSJ-HNNXBMFYSA-N 1 0 306.318 1.688 20 5 DDBDRO COc1cc(C(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000261804106 203121381 /nfs/dbraw/zinc/12/13/81/203121381.db2.gz FYIMOLUPRZZPLT-VHSXEESVSA-N 1 0 323.349 1.421 20 5 DDBDRO Cc1nn(CCC(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)c(C)c1[N+](=O)[O-] ZINC000293262982 223471291 /nfs/dbraw/zinc/47/12/91/223471291.db2.gz GFVFLYWDUJWQAQ-STQMWFEESA-N 1 0 321.381 1.009 20 5 DDBDRO C[C@H](O)C[NH+]1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000275050494 212094307 /nfs/dbraw/zinc/09/43/07/212094307.db2.gz KXUBNYGQIJGIBK-NSHDSACASA-N 1 0 313.785 1.747 20 5 DDBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cccc([N+](=O)[O-])c1N ZINC000288249809 220042418 /nfs/dbraw/zinc/04/24/18/220042418.db2.gz GASRUOKISFDXLR-RYUDHWBXSA-N 1 0 318.377 1.876 20 5 DDBDRO CC[N@@H+]1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000288285867 220063062 /nfs/dbraw/zinc/06/30/62/220063062.db2.gz GOGRYCBOZDYJQB-LBPRGKRZSA-N 1 0 306.366 1.559 20 5 DDBDRO COCCN(CC[NH+](C)C)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000266096168 205093089 /nfs/dbraw/zinc/09/30/89/205093089.db2.gz JSOJNVWOKPDBEJ-UHFFFAOYSA-N 1 0 309.366 1.174 20 5 DDBDRO CC[N@@H+]1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000288496021 220180527 /nfs/dbraw/zinc/18/05/27/220180527.db2.gz QAFYQCBWQHZQEH-LBPRGKRZSA-N 1 0 307.350 1.526 20 5 DDBDRO COc1cc(N2CC[NH+](C[C@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000267356178 206005934 /nfs/dbraw/zinc/00/59/34/206005934.db2.gz HGBHLZHVZGJBTF-CYBMUJFWSA-N 1 0 321.377 1.762 20 5 DDBDRO Cc1cc(C)c(S(=O)(=O)NC[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000440835472 229842341 /nfs/dbraw/zinc/84/23/41/229842341.db2.gz DABVZLORFCCYES-NSHDSACASA-N 1 0 313.379 1.099 20 5 DDBDRO COCC[N@@H+]1CC[C@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000267998218 206384883 /nfs/dbraw/zinc/38/48/83/206384883.db2.gz ULCWXUVLZJZGPS-AWEZNQCLSA-N 1 0 321.377 1.364 20 5 DDBDRO C[NH+](C)[C@H](CNC(=O)CNc1ccccc1[N+](=O)[O-])C1CC1 ZINC000105596429 194113261 /nfs/dbraw/zinc/11/32/61/194113261.db2.gz JIWZQIMZUNFLTR-CQSZACIVSA-N 1 0 306.366 1.463 20 5 DDBDRO C[NH+](C)[C@H]1CCCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000109805556 194287880 /nfs/dbraw/zinc/28/78/80/194287880.db2.gz IIJQUVHRQCYENK-ZDUSSCGKSA-N 1 0 320.393 1.949 20 5 DDBDRO COc1ccc(CNC(=O)[C@@H]([NH3+])CCSC)cc1[N+](=O)[O-] ZINC000269052132 207201480 /nfs/dbraw/zinc/20/14/80/207201480.db2.gz SGVDKMICXXKXQN-JTQLQIEISA-N 1 0 313.379 1.300 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])c(N(C)CCC[N@@H+](C)CCN(C)C)n1 ZINC000341043012 251352203 /nfs/dbraw/zinc/35/22/03/251352203.db2.gz IABZHJKXOQTEAW-UHFFFAOYSA-N 1 0 323.441 1.926 20 5 DDBDRO CO[C@@H]1C[C@H]([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)C12CCC2 ZINC000459763585 532963630 /nfs/dbraw/zinc/96/36/30/532963630.db2.gz OHERJIIKKGESTF-QWHCGFSZSA-N 1 0 307.350 1.304 20 5 DDBDRO O=[N+]([O-])c1c(N2CC[C@@H]([NH+]3CC=CC3)C2)nc2sccn21 ZINC000266280188 285077624 /nfs/dbraw/zinc/07/76/24/285077624.db2.gz TVXVWPHEZOIZOI-SNVBAGLBSA-N 1 0 305.363 1.755 20 5 DDBDRO C[C@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C[C@@H]1n1ccnc1 ZINC000120202156 195118574 /nfs/dbraw/zinc/11/85/74/195118574.db2.gz XHRZIOTYENHYSJ-JSGCOSHPSA-N 1 0 304.354 1.571 20 5 DDBDRO CCS(=O)(=O)NCC[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000158354105 197265586 /nfs/dbraw/zinc/26/55/86/197265586.db2.gz IFPSHDUDBAMOFS-NSHDSACASA-N 1 0 315.395 1.493 20 5 DDBDRO CCOCCO[C@H]1CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000157625651 197202497 /nfs/dbraw/zinc/20/24/97/197202497.db2.gz FYOWEKCVPFTZSZ-HOTGVXAUSA-N 1 0 324.377 1.756 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1CN1C[C@H](C)[N@H+](CCO)C[C@H]1C ZINC000419350880 533137356 /nfs/dbraw/zinc/13/73/56/533137356.db2.gz ZYWFAGMMRKAWIR-QWHCGFSZSA-N 1 0 323.393 1.490 20 5 DDBDRO COCC[NH2+]C1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000568051436 304264737 /nfs/dbraw/zinc/26/47/37/304264737.db2.gz MEVGAXMJPVGVNP-UHFFFAOYSA-N 1 0 323.393 1.674 20 5 DDBDRO C[C@@H](CCC[NH3+])NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000294694481 224172860 /nfs/dbraw/zinc/17/28/60/224172860.db2.gz AIPSGUOIUGRMOW-NSHDSACASA-N 1 0 317.349 1.638 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CN1C[C@H](C)[N@H+](CCO)C[C@@H]1C ZINC000419317803 533221333 /nfs/dbraw/zinc/22/13/33/533221333.db2.gz APMDUYWKCNIWBP-STQMWFEESA-N 1 0 323.393 1.490 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000289714512 221173846 /nfs/dbraw/zinc/17/38/46/221173846.db2.gz KYTZOJULBXRASL-MNOVXSKESA-N 1 0 323.324 1.181 20 5 DDBDRO COc1cccc(C(=O)N2CCC[C@@H](CC[NH3+])C2)c1[N+](=O)[O-] ZINC000423613151 533396918 /nfs/dbraw/zinc/39/69/18/533396918.db2.gz OWEBZURKMVKDFG-NSHDSACASA-N 1 0 307.350 1.804 20 5 DDBDRO COc1cccc(C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)c1[N+](=O)[O-] ZINC000422847501 533398644 /nfs/dbraw/zinc/39/86/44/533398644.db2.gz RLVAXRVAZLOMTR-QWRGUYRKSA-N 1 0 307.350 1.803 20 5 DDBDRO CO[C@@H]1CC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000451578802 533414676 /nfs/dbraw/zinc/41/46/76/533414676.db2.gz XRDYSKLTIYLPEE-GZBFAFLISA-N 1 0 324.377 1.691 20 5 DDBDRO COC(=O)[C@@H]1CN(c2ccc([N+](=O)[O-])c(C)c2)CC[N@H+](C)C1 ZINC000413511425 533491312 /nfs/dbraw/zinc/49/13/12/533491312.db2.gz ZPPXCCZZAOLRPI-LBPRGKRZSA-N 1 0 307.350 1.444 20 5 DDBDRO C[C@H]1CCN(C(=O)NCCc2ccccc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000417774762 533609451 /nfs/dbraw/zinc/60/94/51/533609451.db2.gz ZUCQQVCDYXRIMW-GXTWGEPZSA-N 1 0 320.393 1.906 20 5 DDBDRO COc1ccc(CNC(=O)NC[C@@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000417193959 533616169 /nfs/dbraw/zinc/61/61/69/533616169.db2.gz PQTDNVUKQGXYAA-NSHDSACASA-N 1 0 308.338 1.155 20 5 DDBDRO C[C@@H]1C[C@@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000330897375 533603990 /nfs/dbraw/zinc/60/39/90/533603990.db2.gz HLLLYKIXJRLJSP-NEPJUHHUSA-N 1 0 307.350 1.573 20 5 DDBDRO C[C@H](NC(=O)NCCc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[NH2+]C1 ZINC000417212693 533644379 /nfs/dbraw/zinc/64/43/79/533644379.db2.gz BEJIYIZOWOPIEV-JSGCOSHPSA-N 1 0 320.393 1.825 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H]1C[C@@H](O)C1(C)C ZINC000568897700 304320575 /nfs/dbraw/zinc/32/05/75/304320575.db2.gz CSIDEBVWGQYKGG-QWHCGFSZSA-N 1 0 307.350 1.591 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H]1C[C@H](O)C1(C)C ZINC000568897701 304320549 /nfs/dbraw/zinc/32/05/49/304320549.db2.gz CSIDEBVWGQYKGG-STQMWFEESA-N 1 0 307.350 1.591 20 5 DDBDRO Cc1ccc(NC(=O)C(=O)N2CCC[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000568963698 304324522 /nfs/dbraw/zinc/32/45/22/304324522.db2.gz KBZLCFDRYYRATN-NSHDSACASA-N 1 0 320.349 1.039 20 5 DDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCc2cn[nH]c2)n1 ZINC000353627031 285835292 /nfs/dbraw/zinc/83/52/92/285835292.db2.gz JMRAWMHXOILSQO-CHWSQXEVSA-N 1 0 304.354 1.830 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@H]2CCN(C3CC3)C2)c1 ZINC000569449373 304354555 /nfs/dbraw/zinc/35/45/55/304354555.db2.gz KFDGLYZOTWJZRL-WFASDCNBSA-N 1 0 321.377 1.161 20 5 DDBDRO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(c2ncc(C)cc2[N+](=O)[O-])C1 ZINC000286539035 286095269 /nfs/dbraw/zinc/09/52/69/286095269.db2.gz WJJPRDCSMMZYAM-KBPBESRZSA-N 1 0 320.393 1.988 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000569502915 304359230 /nfs/dbraw/zinc/35/92/30/304359230.db2.gz MELFLOVCSBXRAM-WHOFXGATSA-N 1 0 318.377 1.208 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000237240919 286381128 /nfs/dbraw/zinc/38/11/28/286381128.db2.gz WFOPGQMRIXWBIR-GHMZBOCLSA-N 1 0 307.350 1.803 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000158584939 286381322 /nfs/dbraw/zinc/38/13/22/286381322.db2.gz KDUUSBDCRIHEIS-OAHLLOKOSA-N 1 0 305.334 1.429 20 5 DDBDRO O=C(NC[C@H]1CCC[NH2+]1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000178716055 407561434 /nfs/dbraw/zinc/56/14/34/407561434.db2.gz MHNYYRAUDKYNPC-GFCCVEGCSA-N 1 0 315.333 1.262 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000073995422 406899198 /nfs/dbraw/zinc/89/91/98/406899198.db2.gz ACIMKQBBZOCNOL-OLZOCXBDSA-N 1 0 321.381 1.185 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+](Cc2cccs2)C2CC2)c1 ZINC000075597180 406935749 /nfs/dbraw/zinc/93/57/49/406935749.db2.gz VWJMOCYLQUUBMO-CYBMUJFWSA-N 1 0 322.390 1.878 20 5 DDBDRO O=[N+]([O-])c1ccc(CS(=O)(=O)NCC2CC[NH2+]CC2)cc1 ZINC000044509083 407025018 /nfs/dbraw/zinc/02/50/18/407025018.db2.gz HPRCZVBEZOKIHZ-UHFFFAOYSA-N 1 0 313.379 1.014 20 5 DDBDRO CNC(=O)c1ccc(NCC[N@H+](C)CCCOC)c([N+](=O)[O-])c1 ZINC000078372757 407026042 /nfs/dbraw/zinc/02/60/42/407026042.db2.gz TYFVNIAAQDCIDY-UHFFFAOYSA-N 1 0 324.381 1.335 20 5 DDBDRO C[C@@H](CNC(=O)Cn1cc([N+](=O)[O-])cn1)[N@@H+]1CCC[C@@H](C)C1 ZINC000046952149 407067249 /nfs/dbraw/zinc/06/72/49/407067249.db2.gz WKGPRRHWSMEWIA-NEPJUHHUSA-N 1 0 309.370 1.028 20 5 DDBDRO COC(=O)[C@H]1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000066832296 407260459 /nfs/dbraw/zinc/26/04/59/407260459.db2.gz DWCNBGDYVBCNCA-LBPRGKRZSA-N 1 0 308.334 1.859 20 5 DDBDRO C[NH+](C)[C@H]1CCN(c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C1 ZINC000122341900 407298833 /nfs/dbraw/zinc/29/88/33/407298833.db2.gz ANCFJHPGNSFOHC-JTQLQIEISA-N 1 0 313.379 1.139 20 5 DDBDRO COc1ccc(C[NH2+]CCCN2CCOCC2)cc1[N+](=O)[O-] ZINC000122823566 407311910 /nfs/dbraw/zinc/31/19/10/407311910.db2.gz RRHACTDEWOQTGB-UHFFFAOYSA-N 1 0 309.366 1.415 20 5 DDBDRO C[NH+](C)CCNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000123626063 407334742 /nfs/dbraw/zinc/33/47/42/407334742.db2.gz DYCNPCYUWQHIFP-UHFFFAOYSA-N 1 0 305.256 1.905 20 5 DDBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH2+]C[C@H]1C ZINC000125095146 407378426 /nfs/dbraw/zinc/37/84/26/407378426.db2.gz ANUZUVLFGFOMBW-MNOVXSKESA-N 1 0 309.391 1.896 20 5 DDBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2c([N+](=O)[O-])cnn2C)C1 ZINC000125323735 407385349 /nfs/dbraw/zinc/38/53/49/407385349.db2.gz ANQPYLWKAOELEE-NSHDSACASA-N 1 0 309.370 1.132 20 5 DDBDRO C[N@@H+]1CCC[C@H]1CCN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000125224100 407381881 /nfs/dbraw/zinc/38/18/81/407381881.db2.gz IUDPJRCCILMRBC-KBPBESRZSA-N 1 0 319.409 1.960 20 5 DDBDRO C[C@H]1C[C@@H](NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C[N@@H+]1C1CC1 ZINC000185820261 407512392 /nfs/dbraw/zinc/51/23/92/407512392.db2.gz QTDXWVQKRDJVPU-WCBMZHEXSA-N 1 0 306.322 1.050 20 5 DDBDRO CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000178681762 407545096 /nfs/dbraw/zinc/54/50/96/407545096.db2.gz MSNIGJCLHUWQKQ-UWVGGRQHSA-N 1 0 308.338 1.398 20 5 DDBDRO Cn1c(C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)ccc1[N+](=O)[O-] ZINC000261841856 407638896 /nfs/dbraw/zinc/63/88/96/407638896.db2.gz CROIPGJCQQHYPB-GFCCVEGCSA-N 1 0 306.366 1.538 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[NH2+]C[C@H]1C ZINC000261874128 407649214 /nfs/dbraw/zinc/64/92/14/407649214.db2.gz PNSWTHTXHYQMDW-LLVKDONJSA-N 1 0 322.365 1.226 20 5 DDBDRO CCOc1ccc(C(=O)N2CC[C@@H](C[NH2+]C)C2)cc1[N+](=O)[O-] ZINC000178990120 407681768 /nfs/dbraw/zinc/68/17/68/407681768.db2.gz BRHUHRAJTDGDLZ-NSHDSACASA-N 1 0 307.350 1.675 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N(C)CC[NH+](C)C ZINC000267050706 407730409 /nfs/dbraw/zinc/73/04/09/407730409.db2.gz NTCUJGYNCYBQEN-UHFFFAOYSA-N 1 0 310.354 1.306 20 5 DDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000235671155 407719589 /nfs/dbraw/zinc/71/95/89/407719589.db2.gz OKNRATRWQDDADT-GXSJLCMTSA-N 1 0 313.379 1.322 20 5 DDBDRO CC(C)([NH3+])CC(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000236834888 407776686 /nfs/dbraw/zinc/77/66/86/407776686.db2.gz AGAZHKBLJWEFLA-JTQLQIEISA-N 1 0 307.354 1.130 20 5 DDBDRO C[NH+](C)[C@@]1(CNC(=O)Cc2ccc([N+](=O)[O-])cc2)CCSC1 ZINC000267200094 407786308 /nfs/dbraw/zinc/78/63/08/407786308.db2.gz DUQXDFMPOOYORP-OAHLLOKOSA-N 1 0 323.418 1.691 20 5 DDBDRO CC(C)COC[C@@H](O)CN1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000132588054 407792935 /nfs/dbraw/zinc/79/29/35/407792935.db2.gz CVLDVYXBMWXZNX-INIZCTEOSA-N 1 0 308.378 1.986 20 5 DDBDRO [NH3+]CC1CCN(C(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000238033207 407872719 /nfs/dbraw/zinc/87/27/19/407872719.db2.gz NNSGFTUCMHQRJC-DUXPYHPUSA-N 1 0 307.325 1.944 20 5 DDBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000262587163 407873987 /nfs/dbraw/zinc/87/39/87/407873987.db2.gz ZWRWMYPKOMWTMG-CJNGLKHVSA-N 1 0 304.394 1.635 20 5 DDBDRO CCOc1ccc(C(=O)NCC[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000262593209 407877638 /nfs/dbraw/zinc/87/76/38/407877638.db2.gz SGRUFDZQSKLLFW-LLVKDONJSA-N 1 0 307.350 1.723 20 5 DDBDRO [NH3+]C[C@@H]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000238062906 407880932 /nfs/dbraw/zinc/88/09/32/407880932.db2.gz CVKIDVITOIQDGE-JTQLQIEISA-N 1 0 311.769 1.988 20 5 DDBDRO C[NH+]1CCC(C)(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000272500055 407950121 /nfs/dbraw/zinc/95/01/21/407950121.db2.gz GUMJUNLZSOHSGS-UHFFFAOYSA-N 1 0 324.356 1.778 20 5 DDBDRO CC[N@@H+]1CCCN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000118826162 407950680 /nfs/dbraw/zinc/95/06/80/407950680.db2.gz FDAKXGZFGYJZFM-UHFFFAOYSA-N 1 0 306.366 1.561 20 5 DDBDRO COc1cc(C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000268162941 407923526 /nfs/dbraw/zinc/92/35/26/407923526.db2.gz ILSBHFSSDNCDSJ-ZWNOBZJWSA-N 1 0 319.361 1.816 20 5 DDBDRO CNC(=O)[C@H]1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000154218847 407996660 /nfs/dbraw/zinc/99/66/60/407996660.db2.gz UOCAXOXNHFMONH-JSGCOSHPSA-N 1 0 307.350 1.086 20 5 DDBDRO CN(C)C[C@@H](O)C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000154254448 408002091 /nfs/dbraw/zinc/00/20/91/408002091.db2.gz GSVGOAPKFCQTPI-GJZGRUSLSA-N 1 0 307.394 1.428 20 5 DDBDRO COC[C@H]([NH2+][C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000136636374 408116413 /nfs/dbraw/zinc/11/64/13/408116413.db2.gz ZDQKPOXMCPOTRL-MFKMUULPSA-N 1 0 307.350 1.936 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCC[N@@H+](C)C(C)C ZINC000155588014 408182863 /nfs/dbraw/zinc/18/28/63/408182863.db2.gz QKPAAGLLYACPRG-UHFFFAOYSA-N 1 0 315.395 1.522 20 5 DDBDRO COc1cc(C(=O)N2CCC[N@H+](C)CC2)cc([N+](=O)[O-])c1C ZINC000190428057 408242168 /nfs/dbraw/zinc/24/21/68/408242168.db2.gz SCVZYNANTSOCBN-UHFFFAOYSA-N 1 0 307.350 1.690 20 5 DDBDRO CSCC[N@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000151155711 408266366 /nfs/dbraw/zinc/26/63/66/408266366.db2.gz VGJZMZOSDGGPAH-LBPRGKRZSA-N 1 0 300.380 1.629 20 5 DDBDRO C[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1nnc2ccccn21 ZINC000182670484 408218647 /nfs/dbraw/zinc/21/86/47/408218647.db2.gz NZJGTOFKMPUWNL-SNVBAGLBSA-N 1 0 301.310 1.185 20 5 DDBDRO CC[NH2+]CCNC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000151392351 408304238 /nfs/dbraw/zinc/30/42/38/408304238.db2.gz QKLVJKHCNWKSKY-UHFFFAOYSA-N 1 0 310.310 1.459 20 5 DDBDRO C[NH2+]C[C@H](C)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000133215664 162054230 /nfs/dbraw/zinc/05/42/30/162054230.db2.gz LIUIKCAZWYPGGX-QMMMGPOBSA-N 1 0 321.786 1.382 20 5 DDBDRO C[N@@H+]1CCCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000264037778 408351961 /nfs/dbraw/zinc/35/19/61/408351961.db2.gz BFYGFRZCPLXPQT-UHFFFAOYSA-N 1 0 316.361 1.714 20 5 DDBDRO O=C([C@@H]1CCC[NH2+]C1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000169185642 162184353 /nfs/dbraw/zinc/18/43/53/162184353.db2.gz IMOWFAPTZKIDFF-VXGBXAGGSA-N 1 0 319.365 1.002 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)CN2CC[NH+](C3CCC3)CC2)c1 ZINC000269645884 408373265 /nfs/dbraw/zinc/37/32/65/408373265.db2.gz KXRXFGRTHLNFQQ-MRXNPFEDSA-N 1 0 305.378 1.798 20 5 DDBDRO Cc1c(CC(=O)N2CCC[C@H]2C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000269658969 408381121 /nfs/dbraw/zinc/38/11/21/408381121.db2.gz FVBIENKADCZFPY-AWEZNQCLSA-N 1 0 305.378 1.998 20 5 DDBDRO Cc1cc(S(=O)(=O)NCC[N@@H+](C)C2CC2)ccc1[N+](=O)[O-] ZINC000265186355 408573637 /nfs/dbraw/zinc/57/36/37/408573637.db2.gz GBDPJRBPPBUQKH-UHFFFAOYSA-N 1 0 313.379 1.276 20 5 DDBDRO C[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C[C@@H]1CCCOC1 ZINC000248462285 408573914 /nfs/dbraw/zinc/57/39/14/408573914.db2.gz PTSJNEOHNTWFTD-UONOGXRCSA-N 1 0 324.377 1.693 20 5 DDBDRO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@@H+](CCCO)CC3)nc2c1 ZINC000274797946 408535180 /nfs/dbraw/zinc/53/51/80/408535180.db2.gz DPTQOSTVNDJNLS-UHFFFAOYSA-N 1 0 319.365 1.366 20 5 DDBDRO COc1cc(N2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000192795138 408649878 /nfs/dbraw/zinc/64/98/78/408649878.db2.gz OHIPZHYPJABUSW-NWDGAFQWSA-N 1 0 309.366 1.495 20 5 DDBDRO CNC(=O)CC[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000265679975 408743470 /nfs/dbraw/zinc/74/34/70/408743470.db2.gz ZSGRMGYKJDFKTO-UHFFFAOYSA-N 1 0 317.349 1.221 20 5 DDBDRO CNS(=O)(=O)CC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000193330557 408714341 /nfs/dbraw/zinc/71/43/41/408714341.db2.gz HZWBOSIUMQRJSR-CYBMUJFWSA-N 1 0 313.379 1.111 20 5 DDBDRO CC[C@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@@H]1O ZINC000270900181 408731691 /nfs/dbraw/zinc/73/16/91/408731691.db2.gz MKEAOHQIRUNWSD-WFASDCNBSA-N 1 0 321.377 1.935 20 5 DDBDRO C[NH+]1CCN(CCCNc2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000265505784 408674860 /nfs/dbraw/zinc/67/48/60/408674860.db2.gz JISRLFJHXDZYBD-UHFFFAOYSA-N 1 0 313.789 1.693 20 5 DDBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@@](C)(O)C2)c([N+](=O)[O-])c1 ZINC000177980367 408750376 /nfs/dbraw/zinc/75/03/76/408750376.db2.gz GQFVRRIOOBUKTL-OAHLLOKOSA-N 1 0 323.349 1.389 20 5 DDBDRO CCOc1ccc(NC(=O)CN2CC[C@](C)(O)C2)c([N+](=O)[O-])c1 ZINC000178000917 408754469 /nfs/dbraw/zinc/75/44/69/408754469.db2.gz MLKOVDYZEDJMIM-HNNXBMFYSA-N 1 0 323.349 1.389 20 5 DDBDRO C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N)C1=CC[N@H+](C)CC1 ZINC000276297583 408830595 /nfs/dbraw/zinc/83/05/95/408830595.db2.gz WPCZZJZFXJHZOQ-JTQLQIEISA-N 1 0 304.350 1.557 20 5 DDBDRO COc1ccc(C[NH2+]CCC2(O)CCOCC2)cc1[N+](=O)[O-] ZINC000285671388 408839304 /nfs/dbraw/zinc/83/93/04/408839304.db2.gz ZTYWJZAUTYHWMM-UHFFFAOYSA-N 1 0 310.350 1.625 20 5 DDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186496708 162978486 /nfs/dbraw/zinc/97/84/86/162978486.db2.gz CWBDIPOKWBLIHZ-CYBMUJFWSA-N 1 0 303.362 1.880 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCC([C@@H]3CCCO3)CC2)c1 ZINC000189162888 163086642 /nfs/dbraw/zinc/08/66/42/163086642.db2.gz VOWSWOGUPFORNH-GJZGRUSLSA-N 1 0 324.381 1.043 20 5 DDBDRO C[C@H]1C(=O)NCCC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000189288571 163093020 /nfs/dbraw/zinc/09/30/20/163093020.db2.gz WTVBNGWAVQMUIL-LBPRGKRZSA-N 1 0 307.350 1.574 20 5 DDBDRO C[C@@H]1C[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@H]1CO ZINC000190926518 163164593 /nfs/dbraw/zinc/16/45/93/163164593.db2.gz AWVJWLBRHGXFAU-TYNCELHUSA-N 1 0 319.361 1.260 20 5 DDBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@H](C)N1CC[NH+](CC)CC1 ZINC000192496778 163224774 /nfs/dbraw/zinc/22/47/74/163224774.db2.gz BDFQCTXDGYIFAO-LBPRGKRZSA-N 1 0 324.429 1.558 20 5 DDBDRO CCn1nc(C)c([N+](=O)[O-])c1NCCCC[NH+]1CCOCC1 ZINC000192501175 163225502 /nfs/dbraw/zinc/22/55/02/163225502.db2.gz YJOHIPUQXADYBY-UHFFFAOYSA-N 1 0 311.386 1.644 20 5 DDBDRO C[NH+](C)[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000277390328 408932052 /nfs/dbraw/zinc/93/20/52/408932052.db2.gz XJZFSPGWBQIDMN-NSHDSACASA-N 1 0 306.366 1.733 20 5 DDBDRO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000277477100 408948531 /nfs/dbraw/zinc/94/85/31/408948531.db2.gz LKPPIFFVINVBSQ-VHSXEESVSA-N 1 0 311.313 1.322 20 5 DDBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1c1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000286307712 408960314 /nfs/dbraw/zinc/96/03/14/408960314.db2.gz JYJKLUOAKVASTO-DGCLKSJQSA-N 1 0 318.377 1.757 20 5 DDBDRO C[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C1(CO)CCC1 ZINC000292081881 408977473 /nfs/dbraw/zinc/97/74/73/408977473.db2.gz FWJGLIOOHGKMMN-UHFFFAOYSA-N 1 0 308.334 1.808 20 5 DDBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]Cc1cnnn1C ZINC000287304099 409016039 /nfs/dbraw/zinc/01/60/39/409016039.db2.gz KWFQTHJVKDQPRT-SNVBAGLBSA-N 1 0 318.337 1.230 20 5 DDBDRO COC[C@@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000279046103 409138180 /nfs/dbraw/zinc/13/81/80/409138180.db2.gz JZLWYVKJCWIUCT-OCCSQVGLSA-N 1 0 323.349 1.317 20 5 DDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000280720576 409425300 /nfs/dbraw/zinc/42/53/00/409425300.db2.gz FPRYJTSZJMAUNN-CZUORRHYSA-N 1 0 303.362 1.643 20 5 DDBDRO COC[C@@]1(C(=O)OC)CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000296094282 409426629 /nfs/dbraw/zinc/42/66/29/409426629.db2.gz DEEQKEVEFOYANT-MRXNPFEDSA-N 1 0 322.361 1.649 20 5 DDBDRO C[N@H+](C[C@@H](O)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1)C1CC1 ZINC000290537588 409436085 /nfs/dbraw/zinc/43/60/85/409436085.db2.gz DTQIQFVJXBSAIV-MRXNPFEDSA-N 1 0 316.361 1.913 20 5 DDBDRO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CCN1C(=O)CCC1=O ZINC000285449341 409449987 /nfs/dbraw/zinc/44/99/87/409449987.db2.gz YJNIOMNYZAZTML-UHFFFAOYSA-N 1 0 305.334 1.218 20 5 DDBDRO CC(C)[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000318043567 164030075 /nfs/dbraw/zinc/03/00/75/164030075.db2.gz JITTYCOZUNRPLA-ILXRZTDVSA-N 1 0 310.398 1.957 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1NCC1CC[NH+](CCO)CC1)CCN2 ZINC000302908047 409519318 /nfs/dbraw/zinc/51/93/18/409519318.db2.gz XYIJKHFDIGVYQC-UHFFFAOYSA-N 1 0 320.393 1.679 20 5 DDBDRO C[C@@H]1CS(=O)(=O)C[C@H]1[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000342431188 409626143 /nfs/dbraw/zinc/62/61/43/409626143.db2.gz RJVICLHKDOJXOI-DMBZQDCGSA-N 1 0 310.375 1.631 20 5 DDBDRO CNC(=O)c1ccc(N(C)[C@@H]2CC[N@@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000354080688 409635323 /nfs/dbraw/zinc/63/53/23/409635323.db2.gz WVVQOHZKOIOJKM-CYBMUJFWSA-N 1 0 318.377 1.627 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](C)C[NH+](C)C ZINC000344962477 409573648 /nfs/dbraw/zinc/57/36/48/409573648.db2.gz WPWPXTQEKILCKD-SNVBAGLBSA-N 1 0 301.368 1.132 20 5 DDBDRO COc1ccc(C[NH2+][C@@H]2CS(=O)(=O)C[C@H]2C)cc1[N+](=O)[O-] ZINC000342415680 409612956 /nfs/dbraw/zinc/61/29/56/409612956.db2.gz KMSMUTMUQPPHCI-MWLCHTKSSA-N 1 0 314.363 1.126 20 5 DDBDRO CN1CCO[C@H](C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000332065473 409848255 /nfs/dbraw/zinc/84/82/55/409848255.db2.gz SIYOUSUVHHXXFI-HZSPNIEDSA-N 1 0 323.397 1.195 20 5 DDBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1cc([N+](=O)[O-])nn1C ZINC000346123379 409800512 /nfs/dbraw/zinc/80/05/12/409800512.db2.gz AULNMSJGZPKEHD-QWRGUYRKSA-N 1 0 307.354 1.027 20 5 DDBDRO C[N@@H+]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])n[nH]2)[C@@H](c2ccccc2)C1 ZINC000354521308 409915008 /nfs/dbraw/zinc/91/50/08/409915008.db2.gz NHZDAZDFWUSWHK-DGCLKSJQSA-N 1 0 315.333 1.146 20 5 DDBDRO COc1cc(CN2CC[C@@H]3C[NH2+]C[C@@H]3C2)c([N+](=O)[O-])cc1OC ZINC000357098425 409872776 /nfs/dbraw/zinc/87/27/76/409872776.db2.gz BGCBEDMASDXYOH-DGCLKSJQSA-N 1 0 321.377 1.653 20 5 DDBDRO C[C@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@@H](C)CN1C ZINC000354616827 409970589 /nfs/dbraw/zinc/97/05/89/409970589.db2.gz BCLHDPSIBCVIIU-QWRGUYRKSA-N 1 0 313.379 1.308 20 5 DDBDRO CC(C)[N@H+](C)CCNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000338419293 409971889 /nfs/dbraw/zinc/97/18/89/409971889.db2.gz LTUBMUNATQXNQT-UHFFFAOYSA-N 1 0 308.382 1.853 20 5 DDBDRO CCC[C@@H]1CN(c2c([N+](=O)[O-])ncn2C)CC[N@@H+]1CCOC ZINC000346659759 410065018 /nfs/dbraw/zinc/06/50/18/410065018.db2.gz RILQGZCMTBFTIG-GFCCVEGCSA-N 1 0 311.386 1.265 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@H]([C@H](C)[NH3+])C1 ZINC000351860633 410297798 /nfs/dbraw/zinc/29/77/98/410297798.db2.gz GXRSMCQNTIQCFS-RYUDHWBXSA-N 1 0 306.366 1.511 20 5 DDBDRO C[C@@H]([NH3+])[C@H]1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000351862000 410300541 /nfs/dbraw/zinc/30/05/41/410300541.db2.gz MZPVXINJKRBZMT-PWSUYJOCSA-N 1 0 317.349 1.814 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H](C)[C@H](O)C1 ZINC000351945778 410356114 /nfs/dbraw/zinc/35/61/14/410356114.db2.gz ULEJACICEDUGJC-ZWNOBZJWSA-N 1 0 323.349 1.245 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C)CC[N@H+](C)C1CC1 ZINC000351962455 410376089 /nfs/dbraw/zinc/37/60/89/410376089.db2.gz WYLMOBUAXRUMGH-UHFFFAOYSA-N 1 0 320.393 1.868 20 5 DDBDRO Cc1nccn1CCCNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000298919410 410449648 /nfs/dbraw/zinc/44/96/48/410449648.db2.gz DGYCMHYMJZSAEU-UHFFFAOYSA-N 1 0 305.294 1.020 20 5 DDBDRO CCC[N@@H+]1CC[C@@H](CNc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000299069159 410505637 /nfs/dbraw/zinc/50/56/37/410505637.db2.gz OISGJUWUXRNRDP-NSHDSACASA-N 1 0 306.366 1.838 20 5 DDBDRO C[C@H]1C[N@@H+](C2CCN(c3ncccc3[N+](=O)[O-])CC2)CCO1 ZINC000301117294 410657833 /nfs/dbraw/zinc/65/78/33/410657833.db2.gz WWHHFCPAILHPDO-LBPRGKRZSA-N 1 0 306.366 1.679 20 5 DDBDRO CCOc1cc(N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000301507759 410733217 /nfs/dbraw/zinc/73/32/17/410733217.db2.gz HMLKTWVJQWVXJL-CHWSQXEVSA-N 1 0 323.393 1.885 20 5 DDBDRO Cn1cc([N+](=O)[O-])c(C(=O)N2CCC([NH+]3CCCC3)CC2)n1 ZINC000347705720 410679878 /nfs/dbraw/zinc/67/98/78/410679878.db2.gz UZQYIJFRVJUJLF-UHFFFAOYSA-N 1 0 307.354 1.029 20 5 DDBDRO C[C@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1CO ZINC000337476469 410815294 /nfs/dbraw/zinc/81/52/94/410815294.db2.gz SJWHAPYXTZMOCF-RYUDHWBXSA-N 1 0 307.350 1.484 20 5 DDBDRO Cc1nc(N2CCC[C@H]2C[N@@H+]2CCC[C@@H]2CO)ccc1[N+](=O)[O-] ZINC000301662801 410765594 /nfs/dbraw/zinc/76/55/94/410765594.db2.gz NDSWHYVPUMRNEH-UONOGXRCSA-N 1 0 320.393 1.724 20 5 DDBDRO Cc1nc(NCCN2CCC([NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000301661723 410767371 /nfs/dbraw/zinc/76/73/71/410767371.db2.gz MULUYLMEVSGGLR-UHFFFAOYSA-N 1 0 307.398 1.736 20 5 DDBDRO C[C@@H]([NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)C(=O)NCCF ZINC000337502577 410828760 /nfs/dbraw/zinc/82/87/60/410828760.db2.gz LYZYGLSHINKFSQ-RISCZKNCSA-N 1 0 323.368 1.980 20 5 DDBDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000330647658 410847279 /nfs/dbraw/zinc/84/72/79/410847279.db2.gz ZRWQHQLOOIBENL-VXGBXAGGSA-N 1 0 307.350 1.525 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[N@H+](C)C[C@H]1C ZINC000330664888 410858480 /nfs/dbraw/zinc/85/84/80/410858480.db2.gz GSBIUPYNXNFQJF-LLVKDONJSA-N 1 0 322.365 1.178 20 5 DDBDRO CC[C@@H](Cn1cncn1)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000353278732 410898300 /nfs/dbraw/zinc/89/83/00/410898300.db2.gz XIRZXHJSTQZFTC-LBPRGKRZSA-N 1 0 305.338 1.763 20 5 DDBDRO O=[N+]([O-])c1ccc2oc(C[N@H+]3C[C@@H]4CC[C@@H](O)[C@@H]4C3)nc2c1 ZINC000344041291 410914640 /nfs/dbraw/zinc/91/46/40/410914640.db2.gz IEIFVKSIBZPONF-UFGOTCBOSA-N 1 0 303.318 1.939 20 5 DDBDRO C[C@@H]1C[C@@H](CO)CC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000344133175 410978968 /nfs/dbraw/zinc/97/89/68/410978968.db2.gz PVXWHSINWAOKJG-HZSPNIEDSA-N 1 0 324.377 1.427 20 5 DDBDRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344239097 411046313 /nfs/dbraw/zinc/04/63/13/411046313.db2.gz BKCSELOCUWGQRR-NSHDSACASA-N 1 0 324.356 1.100 20 5 DDBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cc([N+](=O)[O-])nn1C ZINC000356464312 411042888 /nfs/dbraw/zinc/04/28/88/411042888.db2.gz JQELRXYHYOSWSK-LLVKDONJSA-N 1 0 309.370 1.323 20 5 DDBDRO C[NH+](C)C[C@@H]1CCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000129689264 196068258 /nfs/dbraw/zinc/06/82/58/196068258.db2.gz XNUYUWCWJOJNPG-AWEZNQCLSA-N 1 0 320.393 1.730 20 5 DDBDRO C[NH+](C)C[C@](C)(O)CNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000133071231 196309517 /nfs/dbraw/zinc/30/95/17/196309517.db2.gz AMZHGGPKLLTCED-OAHLLOKOSA-N 1 0 304.350 1.868 20 5 DDBDRO Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CC2 ZINC001120560711 782022663 /nfs/dbraw/zinc/02/26/63/782022663.db2.gz HRSDDWLYFMGWOE-ZBFHGGJFSA-N 1 0 316.361 1.738 20 5 DDBDRO COc1ccc(CNC(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC000417199856 225242787 /nfs/dbraw/zinc/24/27/87/225242787.db2.gz ZGJWATASVFFTFV-GHMZBOCLSA-N 1 0 322.365 1.495 20 5 DDBDRO [NH3+]CC[C@@H]1CCCN(C(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000417773479 225434865 /nfs/dbraw/zinc/43/48/65/225434865.db2.gz XEUFHMJEWMSFDL-ZDUSSCGKSA-N 1 0 320.393 1.908 20 5 DDBDRO Cc1c(CNC(=O)N[C@@H]2CC[NH2+][C@H](C)C2)cccc1[N+](=O)[O-] ZINC000418086212 225576613 /nfs/dbraw/zinc/57/66/13/225576613.db2.gz ZHQUEQIELGGMNK-ZWNOBZJWSA-N 1 0 306.366 1.843 20 5 DDBDRO O=C1NC[C@@H]2[C@H]1CCC[N@H+]2CCCOc1ccc([N+](=O)[O-])cc1 ZINC000366908553 418534765 /nfs/dbraw/zinc/53/47/65/418534765.db2.gz DKOHKXVIYFDQCA-HUUCEWRRSA-N 1 0 319.361 1.574 20 5 DDBDRO O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[C@H]1C[NH+]2CCC1CC2 ZINC000366975347 418546484 /nfs/dbraw/zinc/54/64/84/418546484.db2.gz AWFIJQPAIINASV-LBPRGKRZSA-N 1 0 315.333 1.751 20 5 DDBDRO CC(C)CN1CCO[C@H](CNc2ncc([N+](=O)[O-])s2)C1 ZINC000195506416 222203918 /nfs/dbraw/zinc/20/39/18/222203918.db2.gz DVYBRKMCUOAFOQ-SNVBAGLBSA-N 1 0 300.384 1.820 20 5 DDBDRO CCCC[N@H+](C)C[C@@H](C)Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000291190123 222208140 /nfs/dbraw/zinc/20/81/40/222208140.db2.gz SRLAKKSUEBRMHP-SNVBAGLBSA-N 1 0 309.370 1.621 20 5 DDBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)Cc3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000375053031 418596224 /nfs/dbraw/zinc/59/62/24/418596224.db2.gz DWUBOMYXJFZFGQ-ZFWWWQNUSA-N 1 0 303.362 1.690 20 5 DDBDRO CC1(C)[C@H](O)CC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000361414272 418648499 /nfs/dbraw/zinc/64/84/99/418648499.db2.gz ILSFYHKNTIMSRU-SMDDNHRTSA-N 1 0 310.350 1.180 20 5 DDBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CC[C@H](n3cncn3)C2)cc1 ZINC000375316547 418627554 /nfs/dbraw/zinc/62/75/54/418627554.db2.gz DRSMKMMDGJHUDN-ZDUSSCGKSA-N 1 0 303.322 1.512 20 5 DDBDRO CCn1cc(CC[N@@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)cn1 ZINC000375726087 418677404 /nfs/dbraw/zinc/67/74/04/418677404.db2.gz GMYGQDAHZAFVSA-AWEZNQCLSA-N 1 0 318.381 1.887 20 5 DDBDRO C[C@@H]1OCC[C@@H]1[N@H+](CCO)CCOc1ccc([N+](=O)[O-])cc1 ZINC000361583631 418686657 /nfs/dbraw/zinc/68/66/57/418686657.db2.gz LPGOJQURIIQLMF-WFASDCNBSA-N 1 0 310.350 1.445 20 5 DDBDRO COc1cc(C[N@@H+]2C[C@H](C)[C@H](CO)C2)c([N+](=O)[O-])cc1OC ZINC000361662031 418697030 /nfs/dbraw/zinc/69/70/30/418697030.db2.gz PFSWXKMPMJJOFV-JQWIXIFHSA-N 1 0 310.350 1.672 20 5 DDBDRO Cn1c(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000361707615 418699676 /nfs/dbraw/zinc/69/96/76/418699676.db2.gz WMAVSOZLDNEYQR-RYUDHWBXSA-N 1 0 306.366 1.490 20 5 DDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)COC1CC[NH2+]CC1 ZINC000387148753 418742870 /nfs/dbraw/zinc/74/28/70/418742870.db2.gz RAKJEGJYIWUCNI-UHFFFAOYSA-N 1 0 307.350 1.322 20 5 DDBDRO Cc1c(CC(=O)NCC[C@@H]2CCC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000422810208 227191301 /nfs/dbraw/zinc/19/13/01/227191301.db2.gz MZAUIQUGUOWKBT-ZDUSSCGKSA-N 1 0 305.378 1.952 20 5 DDBDRO CN(C(=O)CCNc1ccccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]CC1 ZINC000364667637 418797544 /nfs/dbraw/zinc/79/75/44/418797544.db2.gz UAYQMHCSUVCSRB-CYBMUJFWSA-N 1 0 320.393 1.997 20 5 DDBDRO Cc1cc(C(=O)N2CCC[N@@H+]([C@@H](C)CO)CC2)cc([N+](=O)[O-])c1 ZINC000364922268 418823062 /nfs/dbraw/zinc/82/30/62/418823062.db2.gz MQEUVYRMDRSAOZ-ZDUSSCGKSA-N 1 0 321.377 1.432 20 5 DDBDRO NC(=O)[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411153224 418874116 /nfs/dbraw/zinc/87/41/16/418874116.db2.gz IESOLRNITRKAHF-CYBMUJFWSA-N 1 0 320.349 1.263 20 5 DDBDRO CCCc1n[nH]c(C(=O)N2CC[C@]3(CCC[C@@H]3[NH3+])C2)c1[N+](=O)[O-] ZINC000372788097 418902474 /nfs/dbraw/zinc/90/24/74/418902474.db2.gz TXJCABZQDQUKNR-XHDPSFHLSA-N 1 0 321.381 1.614 20 5 DDBDRO C[C@@H](C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)C1C[NH2+]C1 ZINC000423717337 227633575 /nfs/dbraw/zinc/63/35/75/227633575.db2.gz AQKUUHRDACDEEV-LLVKDONJSA-N 1 0 303.362 1.941 20 5 DDBDRO Cc1c(CC(=O)N2CCCO[C@@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000424024775 228220926 /nfs/dbraw/zinc/22/09/26/228220926.db2.gz RHQHSPLHTXWLDN-ZDUSSCGKSA-N 1 0 307.350 1.022 20 5 DDBDRO Cc1ccc([C@H](C)NC(=O)N2CCO[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000417842962 419350981 /nfs/dbraw/zinc/35/09/81/419350981.db2.gz GRBFIHLMFKQOOL-AAEUAGOBSA-N 1 0 322.365 1.333 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424456200 228276851 /nfs/dbraw/zinc/27/68/51/228276851.db2.gz WBBGCPJETJSYFO-CHWSQXEVSA-N 1 0 322.365 1.673 20 5 DDBDRO [NH3+]CC[C@@H]1CCCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000417944623 419406369 /nfs/dbraw/zinc/40/63/69/419406369.db2.gz PPNSECLQIKVUAN-AWEZNQCLSA-N 1 0 320.393 1.908 20 5 DDBDRO C[C@]1(CNC(=O)NCCc2cccc([N+](=O)[O-])c2)CCC[NH2+]C1 ZINC000417945237 419407665 /nfs/dbraw/zinc/40/76/65/419407665.db2.gz QOEFHZHEQVJRIC-INIZCTEOSA-N 1 0 320.393 1.826 20 5 DDBDRO CN(C[C@@H](O)COc1ccccc1[N+](=O)[O-])C[C@H]1CCC[N@@H+]1C ZINC000421011088 419449316 /nfs/dbraw/zinc/44/93/16/419449316.db2.gz RSQCCCUXZSVORW-ZIAGYGMSSA-N 1 0 323.393 1.361 20 5 DDBDRO Cc1c(CNC(=O)N2CC[NH2+][C@H](C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000418082582 419519915 /nfs/dbraw/zinc/51/99/15/419519915.db2.gz QQILTMJZPHTKSP-NEPJUHHUSA-N 1 0 306.366 1.795 20 5 DDBDRO COC1([C@@H](C)[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCC1 ZINC000412023628 419568090 /nfs/dbraw/zinc/56/80/90/419568090.db2.gz XZXQWMQJULOZJB-OCCSQVGLSA-N 1 0 324.377 1.882 20 5 DDBDRO C[C@H](NC(=O)NC[C@@H]1C[NH2+]CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000418236121 419636561 /nfs/dbraw/zinc/63/65/61/419636561.db2.gz UHDHONUDTYVOSQ-FZMZJTMJSA-N 1 0 322.365 1.334 20 5 DDBDRO O=C(N[C@@H]1CC[NH2+]C1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000418386690 419763871 /nfs/dbraw/zinc/76/38/71/419763871.db2.gz QHAZFDZQGWHIJS-ZIAGYGMSSA-N 1 0 318.377 1.846 20 5 DDBDRO COCCNC(=O)C1([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000414209476 419810590 /nfs/dbraw/zinc/81/05/90/419810590.db2.gz MPYVUCJBALZODB-GFCCVEGCSA-N 1 0 321.377 1.849 20 5 DDBDRO COC[C@@]1(CNCc2ccc(OC)c([N+](=O)[O-])c2)CCC[NH2+]1 ZINC000414949212 419887990 /nfs/dbraw/zinc/88/79/90/419887990.db2.gz ZEARYYNYGNQRLK-HNNXBMFYSA-N 1 0 309.366 1.462 20 5 DDBDRO Cc1c(NC(=O)[C@H](C)N2CCC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000430964774 228992151 /nfs/dbraw/zinc/99/21/51/228992151.db2.gz GEVGZYPYTDXMDN-LBPRGKRZSA-N 1 0 306.366 1.526 20 5 DDBDRO COc1cc(CN[C@@H]2CC[NH2+]C[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000414962918 419895997 /nfs/dbraw/zinc/89/59/97/419895997.db2.gz SYSCDVJLGFCTJI-CMPLNLGQSA-N 1 0 309.366 1.700 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000299293157 229033079 /nfs/dbraw/zinc/03/30/79/229033079.db2.gz KVLSOTTXTCJKNJ-NEPJUHHUSA-N 1 0 323.397 1.336 20 5 DDBDRO Cn1cc(CN2CC[C@@H]([NH3+])C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000435377048 229379446 /nfs/dbraw/zinc/37/94/46/229379446.db2.gz XNOZWMUPTKGFAN-CYBMUJFWSA-N 1 0 301.350 1.528 20 5 DDBDRO CC[C@@H]([NH3+])CNC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000418732605 419956141 /nfs/dbraw/zinc/95/61/41/419956141.db2.gz QTKQFZZDUKKVPU-SNVBAGLBSA-N 1 0 308.338 1.105 20 5 DDBDRO Cc1ccc([C@@H](C)NC(=O)COC2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000423279880 420001954 /nfs/dbraw/zinc/00/19/54/420001954.db2.gz RXYYIXHBBUAYEL-GFCCVEGCSA-N 1 0 321.377 1.849 20 5 DDBDRO COc1cc(C(=O)N2CC[C@](C)(C[NH3+])C2)cc([N+](=O)[O-])c1C ZINC000423609208 420098140 /nfs/dbraw/zinc/09/81/40/420098140.db2.gz KTIGSCJSRWVYAF-OAHLLOKOSA-N 1 0 307.350 1.723 20 5 DDBDRO C[NH2+]CCN(C)C(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1C ZINC000415591934 420121518 /nfs/dbraw/zinc/12/15/18/420121518.db2.gz BJRANIJDJFHWOD-UHFFFAOYSA-N 1 0 324.337 1.373 20 5 DDBDRO CC[C@H]([NH3+])CNC(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1C ZINC000415595494 420121561 /nfs/dbraw/zinc/12/15/61/420121561.db2.gz HGQFROBQEVQLRD-JTQLQIEISA-N 1 0 324.337 1.549 20 5 DDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000423724575 420142903 /nfs/dbraw/zinc/14/29/03/420142903.db2.gz RTDJFAMUWBSEQZ-NEPJUHHUSA-N 1 0 318.377 1.639 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H](C[NH3+])C1 ZINC000415657811 420138422 /nfs/dbraw/zinc/13/84/22/420138422.db2.gz MUUMWNOMSUAQLM-JTQLQIEISA-N 1 0 308.338 1.806 20 5 DDBDRO C[NH2+]C[C@H]1CCCN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000430564814 420140996 /nfs/dbraw/zinc/14/09/96/420140996.db2.gz NFQVLCSCBIRMKO-CQSZACIVSA-N 1 0 306.366 1.241 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000423544328 420077704 /nfs/dbraw/zinc/07/77/04/420077704.db2.gz IRGBDFICVGYNDK-GXFFZTMASA-N 1 0 307.350 1.721 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000415469933 420080263 /nfs/dbraw/zinc/08/02/63/420080263.db2.gz XLHARWUYXXWYRY-ZYHUDNBSSA-N 1 0 320.349 1.037 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000420298198 420190194 /nfs/dbraw/zinc/19/01/94/420190194.db2.gz RVYZLHUKONSBFL-CYBMUJFWSA-N 1 0 320.393 1.328 20 5 DDBDRO C[C@H]([NH3+])C1CCN([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000430921133 420206748 /nfs/dbraw/zinc/20/67/48/420206748.db2.gz XDKWZGBCBCWHOF-RYUDHWBXSA-N 1 0 320.393 1.981 20 5 DDBDRO COc1ccc(OCCN2C[C@@H](C)[NH2+][C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000430931414 420212861 /nfs/dbraw/zinc/21/28/61/420212861.db2.gz CSRIPMNEPDYNFJ-TXEJJXNPSA-N 1 0 309.366 1.664 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000423745744 420156746 /nfs/dbraw/zinc/15/67/46/420156746.db2.gz OGAAKWWIVWGWLY-ZDUSSCGKSA-N 1 0 321.377 1.628 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000420270527 420174484 /nfs/dbraw/zinc/17/44/84/420174484.db2.gz ZEXKRFWJCDAWRQ-NEPJUHHUSA-N 1 0 319.361 1.736 20 5 DDBDRO [NH3+][C@H]1CCC[C@@H](CNc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000420278372 420179023 /nfs/dbraw/zinc/17/90/23/420179023.db2.gz JDBCNGSBRKVCFN-PWSUYJOCSA-N 1 0 317.349 2.574 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CC[C@H]([NH3+])[C@@H]1C ZINC000420352490 420229136 /nfs/dbraw/zinc/22/91/36/420229136.db2.gz ALCRZJPSGDEYBD-UMNHJUIQSA-N 1 0 322.365 1.352 20 5 DDBDRO C[C@@H]1CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H](C)C[NH2+]1 ZINC000420408963 420267829 /nfs/dbraw/zinc/26/78/29/420267829.db2.gz WNOVHPMYGWNTGP-VXGBXAGGSA-N 1 0 306.366 1.606 20 5 DDBDRO CCc1ccccc1[C@@H]([NH3+])CNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000423939041 420276694 /nfs/dbraw/zinc/27/66/94/420276694.db2.gz LIWPDFZNYCPDDO-NSHDSACASA-N 1 0 303.322 1.310 20 5 DDBDRO [NH3+][C@@H]1Cc2ccccc2N(C(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000424080587 420310719 /nfs/dbraw/zinc/31/07/19/420310719.db2.gz ULNCIKNPHGKYLK-GFCCVEGCSA-N 1 0 315.333 1.098 20 5 DDBDRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000416303858 420320646 /nfs/dbraw/zinc/32/06/46/420320646.db2.gz HMXGOVLBYDOHJA-CHWSQXEVSA-N 1 0 321.377 1.051 20 5 DDBDRO Nc1c(C(=O)N2CCC[C@@H](CC[NH3+])C2)cc(F)cc1[N+](=O)[O-] ZINC000442603883 229928634 /nfs/dbraw/zinc/92/86/34/229928634.db2.gz WRKDEUDWGUTWTD-VIFPVBQESA-N 1 0 310.329 1.517 20 5 DDBDRO CN(C[C@H]1CCC[N@@H+]1C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000420740718 420374674 /nfs/dbraw/zinc/37/46/74/420374674.db2.gz RVLJXDFMYDXACA-GFCCVEGCSA-N 1 0 313.379 1.310 20 5 DDBDRO Cc1cc(S(=O)(=O)NC[C@H]2CC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000416496927 420395575 /nfs/dbraw/zinc/39/55/75/420395575.db2.gz RJGVDSLQRXMUDW-LLVKDONJSA-N 1 0 313.379 1.133 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000417175936 420443938 /nfs/dbraw/zinc/44/39/38/420443938.db2.gz JQOJLNXMKURJBD-PWSUYJOCSA-N 1 0 322.365 1.530 20 5 DDBDRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000417223395 420445546 /nfs/dbraw/zinc/44/55/46/420445546.db2.gz GQFDDXZPOFCMEW-ZFWWWQNUSA-N 1 0 320.393 1.954 20 5 DDBDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000417765913 420472704 /nfs/dbraw/zinc/47/27/04/420472704.db2.gz OSXISQVDUIRSMO-AAEUAGOBSA-N 1 0 306.366 1.516 20 5 DDBDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000457092333 420609270 /nfs/dbraw/zinc/60/92/70/420609270.db2.gz XIGCBLCKNDSHMI-ZDUSSCGKSA-N 1 0 321.377 1.915 20 5 DDBDRO C[C@H]1C[N@H+](CCO)CCN1c1nccc2cc([N+](=O)[O-])ccc21 ZINC000450953399 420569294 /nfs/dbraw/zinc/56/92/94/420569294.db2.gz KSILNOSYEAUHGU-LBPRGKRZSA-N 1 0 316.361 1.646 20 5 DDBDRO CC[N@H+](CCO)CCNC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000492626801 420610487 /nfs/dbraw/zinc/61/04/87/420610487.db2.gz ZPGWGILPUQLABY-FPLPWBNLSA-N 1 0 307.350 1.038 20 5 DDBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1C[C@H](C[NH3+])C[C@H]1C ZINC000442765055 420711025 /nfs/dbraw/zinc/71/10/25/420711025.db2.gz ITKCSJFJZJSVFG-UTUOFQBUSA-N 1 0 306.366 1.591 20 5 DDBDRO C[C@H]1C[C@@H](C[NH3+])CN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000442784643 420715655 /nfs/dbraw/zinc/71/56/55/420715655.db2.gz SFDVHKHNJODMRN-QWRGUYRKSA-N 1 0 317.349 1.814 20 5 DDBDRO CCOC[C@@H]1CCCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000459706767 420852692 /nfs/dbraw/zinc/85/26/92/420852692.db2.gz JEAHJLPCSPMOSU-JSGCOSHPSA-N 1 0 312.370 1.043 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)/C=C/c3ccc(F)cc3[N+](=O)[O-])C[C@@H]21 ZINC000493524282 420872912 /nfs/dbraw/zinc/87/29/12/420872912.db2.gz OYGBROONABWOPQ-MOEUOMFESA-N 1 0 319.336 1.910 20 5 DDBDRO C[C@H](C[N@H+](C)CCn1ccc([N+](=O)[O-])n1)C(=O)OC(C)(C)C ZINC000459810178 420879945 /nfs/dbraw/zinc/87/99/45/420879945.db2.gz PZORAKJDBIUKFV-LLVKDONJSA-N 1 0 312.370 1.701 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)NCCc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000454570944 420884862 /nfs/dbraw/zinc/88/48/62/420884862.db2.gz DYKDRLVYYJBRJR-HIFRSBDPSA-N 1 0 318.377 1.483 20 5 DDBDRO CNc1nc(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000454790630 420925176 /nfs/dbraw/zinc/92/51/76/420925176.db2.gz CSQSASTUJPHKQR-MNOVXSKESA-N 1 0 319.365 1.388 20 5 DDBDRO C[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000488717126 421107329 /nfs/dbraw/zinc/10/73/29/421107329.db2.gz KGBTXMSTHOJIKE-ZYHUDNBSSA-N 1 0 318.333 1.848 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000449714651 421066776 /nfs/dbraw/zinc/06/67/76/421066776.db2.gz COQBLNYLMOJMGQ-SNVBAGLBSA-N 1 0 321.255 1.613 20 5 DDBDRO CN(CC(=O)N[C@@H]1CC[NH2+]C1(C)C)c1ccccc1[N+](=O)[O-] ZINC000449749752 421074885 /nfs/dbraw/zinc/07/48/85/421074885.db2.gz GXWSESDHMBDXMH-CYBMUJFWSA-N 1 0 306.366 1.288 20 5 DDBDRO COCC[N@@H+]1CCC[C@@H]1CN=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1 ZINC000450305626 421179574 /nfs/dbraw/zinc/17/95/74/421179574.db2.gz AXQOTBOCMYUPKD-GFCCVEGCSA-N 1 0 319.365 1.416 20 5 DDBDRO C[C@@H](CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)C[NH+](C)C ZINC000490032312 421185610 /nfs/dbraw/zinc/18/56/10/421185610.db2.gz KQQDKWQGVTXUPE-NSHDSACASA-N 1 0 315.395 1.212 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]Cc1cccnc1 ZINC000560260920 421240564 /nfs/dbraw/zinc/24/05/64/421240564.db2.gz DOJKIWYLADNETM-CYBMUJFWSA-N 1 0 303.318 1.519 20 5 DDBDRO CCCN(CCN1CC[NH+](CC)CC1)c1ccc([N+](=O)[O-])nc1 ZINC000450530074 421206929 /nfs/dbraw/zinc/20/69/29/421206929.db2.gz BWEBKNDIIPZFGR-UHFFFAOYSA-N 1 0 321.425 1.844 20 5 DDBDRO O=C(c1ccc([N+](=O)[O-])cn1)N1CCC[N@H+](CC2CCC2)CC1 ZINC000560452886 421266844 /nfs/dbraw/zinc/26/68/44/421266844.db2.gz NCDPRYZFZFRTIE-UHFFFAOYSA-N 1 0 318.377 1.938 20 5 DDBDRO O=C1OCCN1C[C@@H]1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000497293697 421402781 /nfs/dbraw/zinc/40/27/81/421402781.db2.gz AMIBHPJJIUYUTH-GFCCVEGCSA-N 1 0 305.334 1.869 20 5 DDBDRO C[NH+](C)[C@@H](CNC(=O)c1c[nH]nc1[N+](=O)[O-])c1cccs1 ZINC000548408204 421435218 /nfs/dbraw/zinc/43/52/18/421435218.db2.gz FBZYZGSUGMUSJZ-VIFPVBQESA-N 1 0 309.351 1.412 20 5 DDBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2ccnc(N)c2[N+](=O)[O-])C1 ZINC000548714448 421466015 /nfs/dbraw/zinc/46/60/15/421466015.db2.gz JUGKHPHISIVVFY-LLVKDONJSA-N 1 0 321.381 1.280 20 5 DDBDRO Cc1ccc(S(=O)(=O)N2CC[C@@H]([NH3+])C[C@H]2C)c([N+](=O)[O-])c1 ZINC000516310353 421541129 /nfs/dbraw/zinc/54/11/29/421541129.db2.gz QVNWFSCSXOUMKT-GHMZBOCLSA-N 1 0 313.379 1.404 20 5 DDBDRO CC[NH+](CC)CCOCCNC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000542681610 421827854 /nfs/dbraw/zinc/82/78/54/421827854.db2.gz NXRYKPCEQFCRCO-UHFFFAOYSA-N 1 0 310.354 1.078 20 5 DDBDRO CC1(C)[C@@H](O)C[C@@H]1[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000582189290 422127699 /nfs/dbraw/zinc/12/76/99/422127699.db2.gz LPPQYHQVQZUOND-STQMWFEESA-N 1 0 307.350 1.672 20 5 DDBDRO COc1ccc(CC(=O)N[C@H](C[NH3+])CC(C)C)cc1[N+](=O)[O-] ZINC000584345761 422296506 /nfs/dbraw/zinc/29/65/06/422296506.db2.gz YKXCPPKMJZBIGI-LBPRGKRZSA-N 1 0 309.366 1.636 20 5 DDBDRO C[NH+](C)C[C@@H](CO)Nc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000589101731 422316746 /nfs/dbraw/zinc/31/67/46/422316746.db2.gz JBUIFNTVZQZLKV-ZDUSSCGKSA-N 1 0 316.361 1.991 20 5 DDBDRO CSC1(CNc2ccc(N)c([N+](=O)[O-])n2)CC[NH+](C)CC1 ZINC000596238510 422372486 /nfs/dbraw/zinc/37/24/86/422372486.db2.gz MVXHRFNCZYKIKY-UHFFFAOYSA-N 1 0 311.411 1.811 20 5 DDBDRO CC(C)(C)[NH2+]CCN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000579095379 422703637 /nfs/dbraw/zinc/70/36/37/422703637.db2.gz PRZWERDAYTWUTD-UHFFFAOYSA-N 1 0 307.398 1.500 20 5 DDBDRO O=[N+]([O-])c1cnc2ccc(N3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)nn21 ZINC000579093989 422703912 /nfs/dbraw/zinc/70/39/12/422703912.db2.gz KPAXPBMBRHNFLW-NEPJUHHUSA-N 1 0 316.365 1.463 20 5 DDBDRO Nc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000323185158 271030107 /nfs/dbraw/zinc/03/01/07/271030107.db2.gz AXUAVHNOPDCALK-NSHDSACASA-N 1 0 319.365 1.272 20 5 DDBDRO COC(=O)c1cc(C)nc(N[C@H]2CC[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000341847520 271221235 /nfs/dbraw/zinc/22/12/35/271221235.db2.gz XYORYLQZPCGIJR-JTQLQIEISA-N 1 0 320.349 1.733 20 5 DDBDRO CC(C)(C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1)n1cc([N+](=O)[O-])cn1 ZINC000342703419 271481424 /nfs/dbraw/zinc/48/14/24/271481424.db2.gz DTUNAMBWNDSJOS-WCFLWFBJSA-N 1 0 321.381 1.112 20 5 DDBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC(=O)N1CCOCC1 ZINC000344833982 272126383 /nfs/dbraw/zinc/12/63/83/272126383.db2.gz PHUPBKQQEGGKBA-LCYFTJDESA-N 1 0 319.361 1.447 20 5 DDBDRO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1cc(OC)c(O)cc1[N+](=O)[O-] ZINC000345850560 272349600 /nfs/dbraw/zinc/34/96/00/272349600.db2.gz LEXQMVQLYDZXLS-QWRGUYRKSA-N 1 0 323.349 1.313 20 5 DDBDRO CC[N@@H+]1C[C@H](C)N(C(=O)CCn2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000345933149 272369163 /nfs/dbraw/zinc/36/91/63/272369163.db2.gz AJOUXZLKUHILBL-RYUDHWBXSA-N 1 0 309.370 1.123 20 5 DDBDRO CC[C@H](C)[NH+]1CCN(c2nc(C(=O)OC)ccc2[N+](=O)[O-])CC1 ZINC000295932264 273744227 /nfs/dbraw/zinc/74/42/27/273744227.db2.gz HFWMAWHPTCQIBH-NSHDSACASA-N 1 0 322.365 1.697 20 5 DDBDRO C[NH+](C)[C@H]1CN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)C[C@@H]1O ZINC000413309129 273819604 /nfs/dbraw/zinc/81/96/04/273819604.db2.gz KYUDNMSPGRMQKW-UWVGGRQHSA-N 1 0 320.271 1.120 20 5 DDBDRO Cc1c(C(=O)N(C)[C@H]2CC[NH2+]C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000179096487 274659345 /nfs/dbraw/zinc/65/93/45/274659345.db2.gz KTHQIPMGRRTUDJ-VIFPVBQESA-N 1 0 308.294 1.245 20 5 DDBDRO CCC[N@@H+]1CCCN(c2ncc(C(=O)OC)cc2[N+](=O)[O-])CC1 ZINC000302791605 276006122 /nfs/dbraw/zinc/00/61/22/276006122.db2.gz YVKRSYVHGKEBJY-UHFFFAOYSA-N 1 0 322.365 1.699 20 5 DDBDRO CC[NH+]1CCN([C@@H]2CCN(c3cccc(F)c3[N+](=O)[O-])C2)CC1 ZINC000106479086 276386701 /nfs/dbraw/zinc/38/67/01/276386701.db2.gz DFNLNDYSMQEIOD-CYBMUJFWSA-N 1 0 322.384 1.950 20 5 DDBDRO C[N@@H+]1CCO[C@H]2CN(c3c4c(ccc3[N+](=O)[O-])NCC4)C[C@@H]21 ZINC000408404817 277131027 /nfs/dbraw/zinc/13/10/27/277131027.db2.gz JWRRITFUDABSQC-KBPBESRZSA-N 1 0 304.350 1.082 20 5 DDBDRO C[C@@H](C[NH3+])CNC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000441611283 277569936 /nfs/dbraw/zinc/56/99/36/277569936.db2.gz OHTSYGFLKXKPOJ-IUCAKERBSA-N 1 0 315.757 1.727 20 5 DDBDRO C[C@@H]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000261600533 277756099 /nfs/dbraw/zinc/75/60/99/277756099.db2.gz YPWSCNAXRGULMR-PWSUYJOCSA-N 1 0 313.379 1.343 20 5 DDBDRO C[C@H]([NH2+][C@@H](CO)[C@@H]1CCCO1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000447917357 278268848 /nfs/dbraw/zinc/26/88/48/278268848.db2.gz QVUFAMOQWOPFKH-JKOKRWQUSA-N 1 0 323.349 1.051 20 5 DDBDRO C[C@H]1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000163778034 279726419 /nfs/dbraw/zinc/72/64/19/279726419.db2.gz BDKQAWZRDPVTRO-QWRGUYRKSA-N 1 0 313.379 1.200 20 5 DDBDRO Cc1cc(N[C@H]2CC[S@](=O)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000340777948 280301265 /nfs/dbraw/zinc/30/12/65/280301265.db2.gz MKYCEQMBTZXCKQ-CWKPULSASA-N 1 0 305.359 1.806 20 5 DDBDRO C[NH2+]C[C@H](C)CNS(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000124104929 281183943 /nfs/dbraw/zinc/18/39/43/281183943.db2.gz KALSYIVHGRIOSJ-JTQLQIEISA-N 1 0 301.368 1.037 20 5 DDBDRO O=C(C[C@H]1CC[NH2+]C1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000130819101 281395127 /nfs/dbraw/zinc/39/51/27/281395127.db2.gz AOHKSIFYMLRTJT-NEPJUHHUSA-N 1 0 319.365 1.002 20 5 DDBDRO C[C@@]1([NH3+])CCCC[C@@H]1C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000423820638 289189728 /nfs/dbraw/zinc/18/97/28/289189728.db2.gz CGBSYTURPKYOQP-CZUORRHYSA-N 1 0 318.377 1.782 20 5 DDBDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)c3c(N)cccc3[N+](=O)[O-])C2)C1 ZINC000294031677 290187299 /nfs/dbraw/zinc/18/72/99/290187299.db2.gz ZWHBSYHXYCVVBH-OAHLLOKOSA-N 1 0 304.350 1.345 20 5 DDBDRO [NH3+]C[C@H]1CC[C@@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000573000059 304569079 /nfs/dbraw/zinc/56/90/79/304569079.db2.gz KRMLSCXMIKFFDZ-VHSXEESVSA-N 1 0 321.333 1.223 20 5 DDBDRO CC(C)[C@H](CO)[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000362192058 300025764 /nfs/dbraw/zinc/02/57/64/300025764.db2.gz SPSORBXCQDOGTN-ZDUSSCGKSA-N 1 0 307.350 1.090 20 5 DDBDRO C[C@@H]1CCN(C(=O)[C@H]2C[C@H]2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000363124900 300215433 /nfs/dbraw/zinc/21/54/33/300215433.db2.gz DHMOEQNNMWIJQT-VNQPRFMTSA-N 1 0 317.389 1.775 20 5 DDBDRO Cc1cc([C@@H]2CCC[N@H+](CCn3cc([N+](=O)[O-])cn3)C2)[nH]n1 ZINC000363171561 300225991 /nfs/dbraw/zinc/22/59/91/300225991.db2.gz ZSEVUGJGSZWQSE-GFCCVEGCSA-N 1 0 304.354 1.702 20 5 DDBDRO O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000363304924 300248030 /nfs/dbraw/zinc/24/80/30/300248030.db2.gz MBOLJWVVDLJXAC-RBSFLKMASA-N 1 0 303.362 1.432 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000364020017 300335411 /nfs/dbraw/zinc/33/54/11/300335411.db2.gz XKXIWJXPHMZODY-VXGBXAGGSA-N 1 0 319.361 1.960 20 5 DDBDRO C[NH+]1CCC(N(Cc2ccco2)C(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])CC1 ZINC000364457668 300399848 /nfs/dbraw/zinc/39/98/48/300399848.db2.gz ORULYDCSLJEWTM-KGLIPLIRSA-N 1 0 307.350 1.368 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000368349415 301008184 /nfs/dbraw/zinc/00/81/84/301008184.db2.gz RPMWBJHMAZTQPZ-HNNXBMFYSA-N 1 0 304.350 1.466 20 5 DDBDRO C[NH+]1CCC(C(=O)N2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000368410322 301021888 /nfs/dbraw/zinc/02/18/88/301021888.db2.gz BBWRPWMVTCECQF-CYBMUJFWSA-N 1 0 321.381 1.297 20 5 DDBDRO C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2C[C@H]2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000368497262 301040984 /nfs/dbraw/zinc/04/09/84/301040984.db2.gz XBSQUIIMJXFIBB-QKPAOTATSA-N 1 0 317.389 1.851 20 5 DDBDRO CCc1n[nH]c(C(=O)N2CC[C@H]3CC[N@H+](C)[C@@H]3C2)c1[N+](=O)[O-] ZINC000368587547 301058673 /nfs/dbraw/zinc/05/86/73/301058673.db2.gz DACMUPGTYLDVJN-MWLCHTKSSA-N 1 0 307.354 1.047 20 5 DDBDRO [NH3+][C@H]1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000369327191 301165411 /nfs/dbraw/zinc/16/54/11/301165411.db2.gz PHDKBHVWCPDAHX-JGPRNRPPSA-N 1 0 311.363 1.238 20 5 DDBDRO COC(=O)c1cc(C(=O)N2CC[C@H]([NH3+])C[C@H]2C)cc([N+](=O)[O-])c1 ZINC000575134218 304718130 /nfs/dbraw/zinc/71/81/30/304718130.db2.gz PJXYJOKKJFOTIQ-SKDRFNHKSA-N 1 0 321.333 1.333 20 5 DDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000370192286 301292217 /nfs/dbraw/zinc/29/22/17/301292217.db2.gz GPAZRJVLNMHSHE-UHFFFAOYSA-N 1 0 318.377 1.924 20 5 DDBDRO Nc1ccc(N2CCC(C[NH+]3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000370593978 301370153 /nfs/dbraw/zinc/37/01/53/301370153.db2.gz QIJPMSHXCKPDMO-UHFFFAOYSA-N 1 0 320.393 1.726 20 5 DDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N(C1CC1)C1CC[NH2+]CC1 ZINC000370786403 301392614 /nfs/dbraw/zinc/39/26/14/301392614.db2.gz JJQPYOWMFQKRAL-UHFFFAOYSA-N 1 0 303.362 1.880 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000228074896 302046811 /nfs/dbraw/zinc/04/68/11/302046811.db2.gz CJYOCTUATPMQSR-MNOVXSKESA-N 1 0 313.379 1.261 20 5 DDBDRO Cc1cc(N2CC[C@H](O)[C@H](CO)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000396825625 302349940 /nfs/dbraw/zinc/34/99/40/302349940.db2.gz BOZBDUUJFOXXOP-ZBEGNZNMSA-N 1 0 317.345 1.631 20 5 DDBDRO COc1ccc(NC(=O)[C@H](C)N2CC[NH2+][C@H](C)C2)c([N+](=O)[O-])c1 ZINC000420340586 302383380 /nfs/dbraw/zinc/38/33/80/302383380.db2.gz SVOQWHSFZOKCJM-MNOVXSKESA-N 1 0 322.365 1.224 20 5 DDBDRO Cn1cncc1C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000518520656 302827032 /nfs/dbraw/zinc/82/70/32/302827032.db2.gz ZEDKOUFBLJYAAK-UHFFFAOYSA-N 1 0 303.322 1.447 20 5 DDBDRO C[NH+](C)CCCCNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000523655330 302898971 /nfs/dbraw/zinc/89/89/71/302898971.db2.gz GOAHJNIERCSCQD-UHFFFAOYSA-N 1 0 323.349 1.438 20 5 DDBDRO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cn1)C[NH+]1CCCCC1 ZINC000531885475 303263488 /nfs/dbraw/zinc/26/34/88/303263488.db2.gz QWTMYDPTYQXVHX-LBPRGKRZSA-N 1 0 306.366 1.842 20 5 DDBDRO CC[NH+](CC)CC[C@@H](CO)NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000537718969 303378441 /nfs/dbraw/zinc/37/84/41/303378441.db2.gz SREGDUOWBGHYEY-AWEZNQCLSA-N 1 0 323.393 1.346 20 5 DDBDRO CC[NH+](CC)CC[C@H](CO)NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000537718971 303378484 /nfs/dbraw/zinc/37/84/84/303378484.db2.gz SREGDUOWBGHYEY-CQSZACIVSA-N 1 0 323.393 1.346 20 5 DDBDRO COC[C@@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C(C)C ZINC000541593391 303424168 /nfs/dbraw/zinc/42/41/68/303424168.db2.gz GZQYUWDLZMESCL-CQSZACIVSA-N 1 0 321.377 1.745 20 5 DDBDRO Cc1ccc(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1[N+](=O)[O-] ZINC000364060015 307040824 /nfs/dbraw/zinc/04/08/24/307040824.db2.gz JYAQKKUFFJESKE-UONOGXRCSA-N 1 0 319.361 1.496 20 5 DDBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)COc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000368610470 307106329 /nfs/dbraw/zinc/10/63/29/307106329.db2.gz FKZDBNQLPDBHIP-YNEHKIRRSA-N 1 0 319.361 1.559 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@@H](Cc3ccncc3)C2)n1 ZINC000368632496 307106744 /nfs/dbraw/zinc/10/67/44/307106744.db2.gz NHEJXEFCZAXYGV-AWEZNQCLSA-N 1 0 301.350 1.751 20 5 DDBDRO Cn1nccc1[C@H]1CCC[C@@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)C1 ZINC000369562727 307124336 /nfs/dbraw/zinc/12/43/36/307124336.db2.gz VBXHRXSRYXSPBS-QWHCGFSZSA-N 1 0 318.381 1.841 20 5 DDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC000370669849 307132034 /nfs/dbraw/zinc/13/20/34/307132034.db2.gz RRZWYTJXECRSKX-CQSZACIVSA-N 1 0 303.362 1.895 20 5 DDBDRO Cc1nn(C)cc1[C@H]1CCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000372737044 307174109 /nfs/dbraw/zinc/17/41/09/307174109.db2.gz CTUOIWSJGGSPOE-CYBMUJFWSA-N 1 0 304.354 1.670 20 5 DDBDRO CCn1ncnc1CN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000373299514 307183729 /nfs/dbraw/zinc/18/37/29/307183729.db2.gz OBECOEOAUIHKIC-UHFFFAOYSA-N 1 0 305.342 1.240 20 5 DDBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@]1(F)CC[NH2+]C1 ZINC000376789805 307256658 /nfs/dbraw/zinc/25/66/58/307256658.db2.gz MQGGLDNXFUIKLW-ZDUSSCGKSA-N 1 0 315.732 1.908 20 5 DDBDRO COc1ccc(NC(=O)CN[C@@H]2CCCC[C@H]2[NH3+])c([N+](=O)[O-])c1 ZINC000424337469 307301342 /nfs/dbraw/zinc/30/13/42/307301342.db2.gz RVTOWRCABJOZGY-VXGBXAGGSA-N 1 0 322.365 1.401 20 5 DDBDRO [NH3+][C@@H]1CCCC[C@H]1N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000424338221 307301424 /nfs/dbraw/zinc/30/14/24/307301424.db2.gz UHAVSCMPEMIFGW-RBSFLKMASA-N 1 0 318.377 1.560 20 5 DDBDRO O=C(NC1CC[NH+](CC2CC2)CC1)c1ccc([N+](=O)[O-])cn1 ZINC000532387918 307630544 /nfs/dbraw/zinc/63/05/44/307630544.db2.gz NPCFEELMZGOZAP-UHFFFAOYSA-N 1 0 304.350 1.594 20 5 DDBDRO C[C@@H](CCNC(=O)c1cc([N+](=O)[O-])cn1C)[NH+]1CCCCC1 ZINC000544337517 307715169 /nfs/dbraw/zinc/71/51/69/307715169.db2.gz VOCOTXDMEUBSKI-LBPRGKRZSA-N 1 0 308.382 1.928 20 5 DDBDRO C[C@@H]([NH3+])C1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000565706210 308037401 /nfs/dbraw/zinc/03/74/01/308037401.db2.gz YKNIBRVTZWUDTI-LLVKDONJSA-N 1 0 306.366 1.864 20 5 DDBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000569225946 308137338 /nfs/dbraw/zinc/13/73/38/308137338.db2.gz QGUNLAZOPUWEIU-UWVGGRQHSA-N 1 0 302.334 1.999 20 5 DDBDRO O=C(CC1CC[NH2+]CC1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000576037134 308285587 /nfs/dbraw/zinc/28/55/87/308285587.db2.gz NBGKGVAJPIRKJP-UHFFFAOYSA-N 1 0 321.381 1.345 20 5 DDBDRO CSC[C@@H](C)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000578499756 308465951 /nfs/dbraw/zinc/46/59/51/308465951.db2.gz YXYSPUWNPBWRPB-SNVBAGLBSA-N 1 0 318.420 1.710 20 5 DDBDRO O=C(C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)NCC1CC1 ZINC000580991459 308645668 /nfs/dbraw/zinc/64/56/68/308645668.db2.gz GWYONRVRHDTWNW-OLZOCXBDSA-N 1 0 321.381 1.391 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](CC[NH3+])C(F)F ZINC000383288876 325748979 /nfs/dbraw/zinc/74/89/79/325748979.db2.gz LCABASXLHUUBBJ-VIFPVBQESA-N 1 0 323.321 1.164 20 5 DDBDRO CC1(C)CC[N@H+](CC(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000584300310 332230169 /nfs/dbraw/zinc/23/01/69/332230169.db2.gz NMOZXNXUBJFUFD-UHFFFAOYSA-N 1 0 305.378 1.985 20 5 DDBDRO O=[N+]([O-])c1cccc2ncnc(NC[C@@H]3CSCC[NH2+]3)c21 ZINC000603420237 483934087 /nfs/dbraw/zinc/93/40/87/483934087.db2.gz QZZYZDLNBNWZQZ-SECBINFHSA-N 1 0 305.363 1.655 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@]2(C)CC[NH2+]C2)cc1C ZINC000230734950 484169432 /nfs/dbraw/zinc/16/94/32/484169432.db2.gz WRWKFFOGGJFIKN-CYBMUJFWSA-N 1 0 313.379 1.242 20 5 DDBDRO COCC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CCC[C@@H]1C ZINC000487986704 484212300 /nfs/dbraw/zinc/21/23/00/484212300.db2.gz JZFOEXLZWYEGIN-DZGCQCFKSA-N 1 0 323.393 1.894 20 5 DDBDRO C[C@@H]1[C@@H](CO)CC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000488736787 484217333 /nfs/dbraw/zinc/21/73/33/484217333.db2.gz QYWDMGOFQQFENW-UPJWGTAASA-N 1 0 310.350 1.037 20 5 DDBDRO COc1cc(CN2C[C@@H](C)[N@H+](CCO)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000419344559 533826868 /nfs/dbraw/zinc/82/68/68/533826868.db2.gz SAOSHEOHHYWYNH-OLZOCXBDSA-N 1 0 323.393 1.490 20 5 DDBDRO C[C@H]([NH2+]CCN1C(=O)N[C@H](C)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000459399594 533857736 /nfs/dbraw/zinc/85/77/36/533857736.db2.gz VNELZJINRDDBPP-VHSXEESVSA-N 1 0 306.322 1.186 20 5 DDBDRO C[C@H]1[C@@H]([NH3+])CCN1Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000414766015 534140058 /nfs/dbraw/zinc/14/00/58/534140058.db2.gz HCXJIMRUKWZBBR-NHYWBVRUSA-N 1 0 315.377 1.917 20 5 DDBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCC[NH2+]C1 ZINC000417234433 534462164 /nfs/dbraw/zinc/46/21/64/534462164.db2.gz PSHRMTIJYFCDPT-CYBMUJFWSA-N 1 0 306.366 1.436 20 5 DDBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000417224353 534462397 /nfs/dbraw/zinc/46/23/97/534462397.db2.gz IBIIQKNRWFTFGE-KGLIPLIRSA-N 1 0 318.377 1.673 20 5 DDBDRO O=[N+]([O-])c1ccc2c(ccnc2N2CCC([NH2+]CCO)CC2)c1 ZINC000297540956 534884239 /nfs/dbraw/zinc/88/42/39/534884239.db2.gz PYWFFXSKCGIJRQ-UHFFFAOYSA-N 1 0 316.361 1.694 20 5 DDBDRO CC(C)(C)[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C(N)=O ZINC000298757314 526708452 /nfs/dbraw/zinc/70/84/52/526708452.db2.gz WXWSKIUBXGSMPG-CYBMUJFWSA-N 1 0 322.365 1.413 20 5 DDBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])cnc2N)[C@H](C)C1 ZINC000330832858 527750580 /nfs/dbraw/zinc/75/05/80/527750580.db2.gz VKJCIBVOVSVOEE-ZWNOBZJWSA-N 1 0 321.381 1.374 20 5 DDBDRO CCOC(=O)[C@H]1NCC[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000422747685 528088902 /nfs/dbraw/zinc/08/89/02/528088902.db2.gz ZJJNHARPLCVGQU-KBPBESRZSA-N 1 0 307.350 1.021 20 5 DDBDRO CCOc1cc(C[NH2+][C@@](C)(C(N)=O)C(C)C)ccc1[N+](=O)[O-] ZINC000297627814 528283561 /nfs/dbraw/zinc/28/35/61/528283561.db2.gz LTDDIZSRPBCMAA-OAHLLOKOSA-N 1 0 309.366 1.983 20 5 DDBDRO CCCc1n[nH]c(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000331744403 528549657 /nfs/dbraw/zinc/54/96/57/528549657.db2.gz YFZFDLCICWNKPK-CMPLNLGQSA-N 1 0 321.381 1.627 20 5 DDBDRO CC1(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)C[NH2+]C1 ZINC000423226484 528848404 /nfs/dbraw/zinc/84/84/04/528848404.db2.gz QWLYLWRJNCSHDM-UHFFFAOYSA-N 1 0 319.361 1.574 20 5 DDBDRO CC[NH+](CC)C[C@@H](C)Nc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000736533758 598498862 /nfs/dbraw/zinc/49/88/62/598498862.db2.gz KMBKYTWNCNGPNP-SECBINFHSA-N 1 0 320.357 1.312 20 5 DDBDRO 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1.750 20 5 DDBDRO [NH3+]C1(CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CCC1 ZINC000843453841 702885368 /nfs/dbraw/zinc/88/53/68/702885368.db2.gz HUOIJAPKSQWULB-UHFFFAOYSA-N 1 0 318.377 1.806 20 5 DDBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@@H]1C[C@]13CC[NH2+]C3)CC2 ZINC000843495391 702893672 /nfs/dbraw/zinc/89/36/72/702893672.db2.gz QTYLMBNLVZOSIN-LRDDRELGSA-N 1 0 301.346 1.792 20 5 DDBDRO Cc1cncc(CC[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC000849332053 703636150 /nfs/dbraw/zinc/63/61/50/703636150.db2.gz ZNUHOIGVOKTRNQ-OAHLLOKOSA-N 1 0 302.334 1.559 20 5 DDBDRO O=[N+]([O-])c1ccccc1C[NH2+]CC[S@](=O)CC(F)(F)F ZINC000850349265 703725999 /nfs/dbraw/zinc/72/59/99/703725999.db2.gz BNHNNFOIHIFKOB-FQEVSTJZSA-N 1 0 310.297 1.995 20 5 DDBDRO CCO[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1)C[NH+](C)C ZINC000831777374 706777892 /nfs/dbraw/zinc/77/78/92/706777892.db2.gz YCOHLIQTMOHBGP-CQSZACIVSA-N 1 0 309.366 1.220 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C2CCN(C3CC3)CC2)c1 ZINC000818945631 704031294 /nfs/dbraw/zinc/03/12/94/704031294.db2.gz MRTZXUVISOYHOA-INIZCTEOSA-N 1 0 305.378 1.845 20 5 DDBDRO O=C1OCCN1[C@H]1CC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000852437436 704048248 /nfs/dbraw/zinc/04/82/48/704048248.db2.gz YCCMXDFGUWEPCD-UONOGXRCSA-N 1 0 321.333 1.155 20 5 DDBDRO CC(C)(C)N1C[C@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000819126073 704073081 /nfs/dbraw/zinc/07/30/81/704073081.db2.gz IAQNRBCJLKSHPQ-OCCSQVGLSA-N 1 0 321.377 1.617 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H]2CCc3n[nH]cc3C2)c1 ZINC000819169607 704080288 /nfs/dbraw/zinc/08/02/88/704080288.db2.gz NICZOIJKJJZWJR-DOMZBBRYSA-N 1 0 302.334 1.498 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000819175906 704081545 /nfs/dbraw/zinc/08/15/45/704081545.db2.gz CYOFZXPXVDMJBY-CYBMUJFWSA-N 1 0 321.293 1.023 20 5 DDBDRO CS(=O)(=O)CC[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000819212202 704087521 /nfs/dbraw/zinc/08/75/21/704087521.db2.gz JROIAJCDQLPSOL-UHFFFAOYSA-N 1 0 306.771 1.425 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CC2(CF)CCOCC2)cc1 ZINC000819350231 704111262 /nfs/dbraw/zinc/11/12/62/704111262.db2.gz ZWFJGBPCKFQIKU-AWEZNQCLSA-N 1 0 312.341 1.984 20 5 DDBDRO O=C1[C@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]2CCCCN12 ZINC000819359053 704112612 /nfs/dbraw/zinc/11/26/12/704112612.db2.gz SSAQMTYEPHMMDG-BPLDGKMQSA-N 1 0 319.361 1.371 20 5 DDBDRO [NH3+][C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CC[C@H]1F ZINC000852870059 704155248 /nfs/dbraw/zinc/15/52/48/704155248.db2.gz OUTPSIRLESPLAO-GHMZBOCLSA-N 1 0 301.705 1.760 20 5 DDBDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)c3cc([N+](=O)[O-])c(F)cc3N)[C@@H]2C1 ZINC000819719204 704164439 /nfs/dbraw/zinc/16/44/39/704164439.db2.gz PCGPZBZOUGTDOW-LKFCYVNXSA-N 1 0 322.340 1.482 20 5 DDBDRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC000821756820 704439014 /nfs/dbraw/zinc/43/90/14/704439014.db2.gz AWFYBCSQAVMDPY-ZVDSWSACSA-N 1 0 315.373 1.717 20 5 DDBDRO CCN(C(=O)c1ccc(N)c([N+](=O)[O-])c1)[C@@H]1CC[N@H+](CC)C1 ZINC000855489990 704487576 /nfs/dbraw/zinc/48/75/76/704487576.db2.gz FGRNCESYXZIEMV-GFCCVEGCSA-N 1 0 306.366 1.733 20 5 DDBDRO CC(C)[C@@H]([NH3+])CNC(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857765575 704622234 /nfs/dbraw/zinc/62/22/34/704622234.db2.gz RHNSQPFYIKSOHH-NSHDSACASA-N 1 0 317.292 1.666 20 5 DDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)C[C@@H](C)[NH3+] ZINC000858642449 704738842 /nfs/dbraw/zinc/73/88/42/704738842.db2.gz LHYBSBBOOFOXRE-SECBINFHSA-N 1 0 301.368 1.125 20 5 DDBDRO COc1cc(Cc2noc(C[C@@H]3CC[NH2+]C3)n2)ccc1[N+](=O)[O-] ZINC000822861323 705062735 /nfs/dbraw/zinc/06/27/35/705062735.db2.gz CAIFGFZOWFDSNQ-NSHDSACASA-N 1 0 318.333 1.729 20 5 DDBDRO Cc1c(C(=O)N[C@H](C)CCC[NH3+])cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000834813887 707127415 /nfs/dbraw/zinc/12/74/15/707127415.db2.gz YZVMJDRQFUTNOB-MRVPVSSYSA-N 1 0 324.337 1.977 20 5 DDBDRO Cc1ccc(CNC(=O)NCCOCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000875523637 705418388 /nfs/dbraw/zinc/41/83/88/705418388.db2.gz DSDISTIQYZWDLT-UHFFFAOYSA-N 1 0 324.381 1.281 20 5 DDBDRO CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825410970 705665506 /nfs/dbraw/zinc/66/55/06/705665506.db2.gz CAKMEGQLFGBHHP-DZGCQCFKSA-N 1 0 323.393 1.721 20 5 DDBDRO CC(C)[C@@H](C[NH+](C)C)NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825891917 705742721 /nfs/dbraw/zinc/74/27/21/705742721.db2.gz XKAFJGXRSNXFSW-ZIAGYGMSSA-N 1 0 309.366 1.331 20 5 DDBDRO COCC[NH+]1CCN(Cc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000876556098 705756539 /nfs/dbraw/zinc/75/65/39/705756539.db2.gz IATUCSBAUUVSBP-UHFFFAOYSA-N 1 0 307.394 1.976 20 5 DDBDRO C/C(=C/C(=O)NCC[N@@H+]1CC[C@@H](O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000863319834 705900176 /nfs/dbraw/zinc/90/01/76/705900176.db2.gz PIANAICXVPDSEJ-KUGGDMIFSA-N 1 0 319.361 1.181 20 5 DDBDRO CCC1([NH+]2CCOCC2)CCN(Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000863327279 705903037 /nfs/dbraw/zinc/90/30/37/705903037.db2.gz BGKKVRPKUULTQP-UHFFFAOYSA-N 1 0 323.397 1.326 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000876919680 705924161 /nfs/dbraw/zinc/92/41/61/705924161.db2.gz XJRRWYGOHGTGEI-GFCCVEGCSA-N 1 0 307.350 1.401 20 5 DDBDRO C[C@@H]1CCCN(CC[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000876931312 705928976 /nfs/dbraw/zinc/92/89/76/705928976.db2.gz LITSSAIEPWGUCU-IYXRBSQSSA-N 1 0 307.398 1.816 20 5 DDBDRO CCN(CC[NH3+])CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000863550575 705954742 /nfs/dbraw/zinc/95/47/42/705954742.db2.gz APJOQZKMIIBBPT-UHFFFAOYSA-N 1 0 300.746 1.467 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N[C@H]1CC[NH2+]C12CCC2 ZINC000877003550 705955135 /nfs/dbraw/zinc/95/51/35/705955135.db2.gz WRLKUIJZBPTEEA-ZDUSSCGKSA-N 1 0 323.324 1.514 20 5 DDBDRO COC(=O)C1=CC[C@@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000863572506 705961376 /nfs/dbraw/zinc/96/13/76/705961376.db2.gz OYMWQPCXRFEQBN-OCCSQVGLSA-N 1 0 306.318 1.480 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3cccc([N+](=O)[O-])c3)CC[C@H]21 ZINC000827310043 705972685 /nfs/dbraw/zinc/97/26/85/705972685.db2.gz JJKDZNCTCYJWRH-UKRRQHHQSA-N 1 0 303.362 1.690 20 5 DDBDRO CNc1ccc(C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000827366710 705986585 /nfs/dbraw/zinc/98/65/85/705986585.db2.gz OHOYIEYVMKANON-JSGCOSHPSA-N 1 0 318.377 1.803 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC000877485244 706120340 /nfs/dbraw/zinc/12/03/40/706120340.db2.gz NNQOUNWGBJULCG-INIZCTEOSA-N 1 0 303.362 1.924 20 5 DDBDRO C[N@H+]1CC=C(CNC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000828544880 706197033 /nfs/dbraw/zinc/19/70/33/706197033.db2.gz IEXSMBSTXJTECC-AWEZNQCLSA-N 1 0 305.334 1.006 20 5 DDBDRO C[C@H]1C[C@H]([NH2+][C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)CS1 ZINC000877829918 706226264 /nfs/dbraw/zinc/22/62/64/706226264.db2.gz AHVAYUFIEBNYJL-BNQQVVLKSA-N 1 0 312.391 1.473 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)[NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)cc1 ZINC000877830099 706226597 /nfs/dbraw/zinc/22/65/97/706226597.db2.gz CFRQOZZSHPABJB-OKKJVPACSA-N 1 0 306.362 1.625 20 5 DDBDRO C[N@@H+]1CC[C@@H]1CN1C(=O)N[C@](C)(c2cccc([N+](=O)[O-])c2)C1=O ZINC000877875787 706230560 /nfs/dbraw/zinc/23/05/60/706230560.db2.gz RQLYKLFSRBTRLW-IUODEOHRSA-N 1 0 318.333 1.066 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(n2cccn2)CC1 ZINC000878090159 706289736 /nfs/dbraw/zinc/28/97/36/706289736.db2.gz SEFJFQYMTXODFP-UHFFFAOYSA-N 1 0 304.354 1.633 20 5 DDBDRO C[C@H](CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2)[NH+](C)C ZINC000878199221 706324424 /nfs/dbraw/zinc/32/44/24/706324424.db2.gz ZKPCDOLQAOXYTH-SNVBAGLBSA-N 1 0 323.349 1.436 20 5 DDBDRO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000832731422 706971618 /nfs/dbraw/zinc/97/16/18/706971618.db2.gz LCALPLJXDHKBIF-PRHODGIISA-N 1 0 308.294 1.312 20 5 DDBDRO COC(C)(C)CC[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000872226632 707337972 /nfs/dbraw/zinc/33/79/72/707337972.db2.gz QQFIPLJBLQOPPR-ZDUSSCGKSA-N 1 0 312.366 1.739 20 5 DDBDRO C[NH+](C)CC(C)(C)NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000837240558 707602647 /nfs/dbraw/zinc/60/26/47/707602647.db2.gz AEAORHYYHIYOBK-UHFFFAOYSA-N 1 0 319.365 1.401 20 5 DDBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000882478846 707649848 /nfs/dbraw/zinc/64/98/48/707649848.db2.gz GXFJHHPTFRUOPC-CYBMUJFWSA-N 1 0 318.377 1.993 20 5 DDBDRO CC[N@@H+]1CC[C@H]1CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000882486133 707656809 /nfs/dbraw/zinc/65/68/09/707656809.db2.gz ZHQWWFOHLHOBCH-AWEZNQCLSA-N 1 0 316.361 1.760 20 5 DDBDRO CC[N@@H+]1CC[C@H]1CNC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000882492288 707662910 /nfs/dbraw/zinc/66/29/10/707662910.db2.gz PETMYVCDQZIWBC-JTQLQIEISA-N 1 0 324.356 1.624 20 5 DDBDRO CCS(=O)(=O)C1(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000873139076 707745950 /nfs/dbraw/zinc/74/59/50/707745950.db2.gz SONPYWBDGOBFDH-UHFFFAOYSA-N 1 0 312.391 1.960 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CCOC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000873384795 707832110 /nfs/dbraw/zinc/83/21/10/707832110.db2.gz QMBXOKUHDJXVGI-GHMZBOCLSA-N 1 0 310.354 1.516 20 5 DDBDRO O=[N+]([O-])c1ncccc1CN1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000885953833 708670486 /nfs/dbraw/zinc/67/04/86/708670486.db2.gz GXGJSLYWTGMXSY-OAHLLOKOSA-N 1 0 320.393 1.677 20 5 DDBDRO O=[N+]([O-])c1ncccc1CN1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000886190169 708711861 /nfs/dbraw/zinc/71/18/61/708711861.db2.gz DIAAXUMHCBEPEN-AWEZNQCLSA-N 1 0 320.393 1.534 20 5 DDBDRO CN(CC[N@H+](C)CCO)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000912611533 713049678 /nfs/dbraw/zinc/04/96/78/713049678.db2.gz DZSGBZSKQYYLJD-UHFFFAOYSA-N 1 0 315.757 1.244 20 5 DDBDRO C[C@](CO)([NH2+]C[C@H]1C[C@]12CCOC2)c1cccc([N+](=O)[O-])c1 ZINC000886307015 708739497 /nfs/dbraw/zinc/73/94/97/708739497.db2.gz HZBYSUPPZUVXOC-BMFZPTHFSA-N 1 0 306.362 1.819 20 5 DDBDRO Cn1c(C(=O)N[C@@H]2C[C@H]([NH+](C)C)C23CCC3)ccc1[N+](=O)[O-] ZINC000898843780 708887093 /nfs/dbraw/zinc/88/70/93/708887093.db2.gz AWEVDMMZXFCKIT-NEPJUHHUSA-N 1 0 306.366 1.536 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H](C)C[NH+](C)C ZINC000887984714 709186861 /nfs/dbraw/zinc/18/68/61/709186861.db2.gz OKKHFAZPVFJZPG-SNVBAGLBSA-N 1 0 310.354 1.923 20 5 DDBDRO Nc1c(C(=O)N2CCC([NH+]3CCC3)CC2)cccc1[N+](=O)[O-] ZINC000912878356 713113209 /nfs/dbraw/zinc/11/32/09/713113209.db2.gz STBLLPZVTHXCRF-UHFFFAOYSA-N 1 0 304.350 1.487 20 5 DDBDRO CC[N@@H+]1CCCN(C(=O)Cn2cc([N+](=O)[O-])nc2C)[C@H](C)C1 ZINC000910289182 709869009 /nfs/dbraw/zinc/86/90/09/709869009.db2.gz QFHRXHJMZUCYSU-LLVKDONJSA-N 1 0 309.370 1.042 20 5 DDBDRO CCN(C(=O)NCCc1ccccc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000891605839 710246790 /nfs/dbraw/zinc/24/67/90/710246790.db2.gz AAMFKEOFAJVRIZ-ZDUSSCGKSA-N 1 0 306.366 1.531 20 5 DDBDRO C[N@@H+]1C[C@@]2(C)CN(C(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)C[C@@]2(C)C1 ZINC000913281467 713190630 /nfs/dbraw/zinc/19/06/30/713190630.db2.gz QQLLHTBEJQXZAF-GASCZTMLSA-N 1 0 320.349 1.109 20 5 DDBDRO C[C@@H]1[C@H](NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC[N@@H+]1C ZINC000928438670 713196018 /nfs/dbraw/zinc/19/60/18/713196018.db2.gz GVYAKOOSOLDLNT-ZWNOBZJWSA-N 1 0 314.345 1.965 20 5 DDBDRO C[C@H]1[C@H](NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC[N@@H+]1C ZINC000928444035 713198491 /nfs/dbraw/zinc/19/84/91/713198491.db2.gz IJXRACWCVXEBRK-JOYOIKCWSA-N 1 0 311.313 1.322 20 5 DDBDRO Cc1nn(CCC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000928448252 713200922 /nfs/dbraw/zinc/20/09/22/713200922.db2.gz NDLDEHRKIAFMMD-ZYHUDNBSSA-N 1 0 309.370 1.007 20 5 DDBDRO Cc1nn(CCC(=O)N[C@H]2CC[N@H+](C)[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000928448250 713201050 /nfs/dbraw/zinc/20/10/50/713201050.db2.gz NDLDEHRKIAFMMD-JQWIXIFHSA-N 1 0 309.370 1.007 20 5 DDBDRO COC(=O)[C@@H]1[C@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])C1(F)F ZINC000894187953 711006808 /nfs/dbraw/zinc/00/68/08/711006808.db2.gz PLZPLDMDQAALLC-ONGXEEELSA-N 1 0 300.261 1.739 20 5 DDBDRO COc1cc([C@H](C)[NH2+]C[C@]2(O)CCO[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000903160216 711051118 /nfs/dbraw/zinc/05/11/18/711051118.db2.gz VHPRNXRANOVTIK-FIXISWKDSA-N 1 0 310.350 1.794 20 5 DDBDRO COc1cc([C@H](C)[NH2+]CCN2CCC(O)CC2)cc([N+](=O)[O-])c1 ZINC000903188127 711059010 /nfs/dbraw/zinc/05/90/10/711059010.db2.gz YXICICNVKGYXOV-LBPRGKRZSA-N 1 0 323.393 1.711 20 5 DDBDRO COc1cc([C@H](C)[NH2+]C[C@@H](O)[C@@H]2CCCO2)cc([N+](=O)[O-])c1 ZINC000903206246 711064011 /nfs/dbraw/zinc/06/40/11/711064011.db2.gz PVTFKWKFYWEOQV-VQISRLSMSA-N 1 0 310.350 1.794 20 5 DDBDRO C[C@@H]1C[NH2+]C[C@H]1CN1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000903427575 711122769 /nfs/dbraw/zinc/12/27/69/711122769.db2.gz YFFCDRPRIDZMDF-KGLIPLIRSA-N 1 0 304.394 1.572 20 5 DDBDRO C[NH2+]C[C@@H]1CCCCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000903529961 711172248 /nfs/dbraw/zinc/17/22/48/711172248.db2.gz FCZPWWZEIZKDMY-AWEZNQCLSA-N 1 0 320.393 1.916 20 5 DDBDRO COCC[C@H]1C[NH2+]CCN1Cc1cc([N+](=O)[O-])ccc1OC ZINC000903831231 711294521 /nfs/dbraw/zinc/29/45/21/711294521.db2.gz QAMAGPKILRXCPV-AWEZNQCLSA-N 1 0 309.366 1.414 20 5 DDBDRO C[NH+](C)C[C@]1(O)CCN(c2ccc([N+](=O)[O-])c3cnccc32)C1 ZINC000895009672 711365640 /nfs/dbraw/zinc/36/56/40/711365640.db2.gz YYPJJXOOEKCJPQ-MRXNPFEDSA-N 1 0 316.361 1.646 20 5 DDBDRO C[N@@H+]1CC[C@H]2CN(c3ccc4nonc4c3[N+](=O)[O-])CC[C@H]21 ZINC000895021671 711372655 /nfs/dbraw/zinc/37/26/55/711372655.db2.gz HUOXPPDSBAEUGC-GXSJLCMTSA-N 1 0 303.322 1.661 20 5 DDBDRO COCC[C@H]1C[NH2+]CCN1C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000904276990 711422810 /nfs/dbraw/zinc/42/28/10/711422810.db2.gz DFSKUBMKHAWCIR-LBPRGKRZSA-N 1 0 322.365 1.745 20 5 DDBDRO COC[C@H]1C[C@@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000905431034 712035971 /nfs/dbraw/zinc/03/59/71/712035971.db2.gz SAOLHKNBNMJWQJ-TXEJJXNPSA-N 1 0 307.350 1.938 20 5 DDBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@@H](O)CCC2(O)CCC2)cc1 ZINC000905922603 712187326 /nfs/dbraw/zinc/18/73/26/712187326.db2.gz XIOFGKOMYPVEBO-HNNXBMFYSA-N 1 0 308.378 1.783 20 5 DDBDRO CCC[N@@H+]1CCC[C@@H](C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000907066049 712478701 /nfs/dbraw/zinc/47/87/01/712478701.db2.gz SVJUWFDOOKEETD-GFCCVEGCSA-N 1 0 309.370 1.030 20 5 DDBDRO Cc1cccc(C[NH+]2CCN(Cn3cc([N+](=O)[O-])cn3)CC2)c1 ZINC000914566757 713397333 /nfs/dbraw/zinc/39/73/33/713397333.db2.gz XWBOQIRCIPWFGD-UHFFFAOYSA-N 1 0 315.377 1.875 20 5 DDBDRO C[NH+]1CCC(NC(=O)CCc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000929433974 713609662 /nfs/dbraw/zinc/60/96/62/713609662.db2.gz QXTQIZMPSBCFBJ-UHFFFAOYSA-N 1 0 309.341 1.877 20 5 DDBDRO NC(=O)C1(NCc2cc([N+](=O)[O-])ccc2Br)CC1 ZINC000930242910 713785256 /nfs/dbraw/zinc/78/52/56/713785256.db2.gz BSMJIYLMYFXVDR-UHFFFAOYSA-N 1 0 314.139 1.465 20 5 DDBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000930362850 713814071 /nfs/dbraw/zinc/81/40/71/713814071.db2.gz RDLFLNVSNMZAIS-SNVBAGLBSA-N 1 0 309.391 1.998 20 5 DDBDRO COc1ccc(NC(=O)N[C@H]2CC[N@H+](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000930770390 713916131 /nfs/dbraw/zinc/91/61/31/713916131.db2.gz WOJZUFSSDSCPJA-ONGXEEELSA-N 1 0 308.338 1.818 20 5 DDBDRO Cc1cncc([N+](=O)[O-])c1NC(=O)N(C)[C@H]1CCC[N@H+](C)C1 ZINC000930877567 713947922 /nfs/dbraw/zinc/94/79/22/713947922.db2.gz VOARABLXKHBRDW-NSHDSACASA-N 1 0 307.354 1.278 20 5 DDBDRO COC(=O)[C@@](C)(NCC[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000931262264 714051235 /nfs/dbraw/zinc/05/12/35/714051235.db2.gz PSAKJZKNUUFVLI-INIZCTEOSA-N 1 0 321.377 1.668 20 5 DDBDRO CCC[NH+]1CCC(CNC(=O)Cn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000931284574 714057443 /nfs/dbraw/zinc/05/74/43/714057443.db2.gz YXTZURAQXQEVGW-UHFFFAOYSA-N 1 0 323.397 1.338 20 5 DDBDRO C[NH2+][C@H]1CCCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000923284309 714297308 /nfs/dbraw/zinc/29/73/08/714297308.db2.gz LPKMIQAESRSSKO-QWHCGFSZSA-N 1 0 309.366 1.018 20 5 DDBDRO C[C@@H]1CN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H](C)[NH2+]1 ZINC000923286790 714297605 /nfs/dbraw/zinc/29/76/05/714297605.db2.gz PCZABFKHFGRYKO-BZPMIXESSA-N 1 0 309.366 1.017 20 5 DDBDRO O=[N+]([O-])c1cccc(N2CCN(CCC[NH2+]C3CC3)CC2)c1 ZINC000923321199 714312554 /nfs/dbraw/zinc/31/25/54/714312554.db2.gz ABGIIOQXUTVKDL-UHFFFAOYSA-N 1 0 304.394 1.859 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1[C@H](C)C[NH2+][C@H](C)[C@@H]1C ZINC000923443374 714357428 /nfs/dbraw/zinc/35/74/28/714357428.db2.gz QUGZMAPDUURDLG-UPJWGTAASA-N 1 0 320.393 1.912 20 5 DDBDRO [NH3+]CC[C@@H]1CN(CCn2cc([N+](=O)[O-])cn2)c2ccccc21 ZINC000923555074 714400391 /nfs/dbraw/zinc/40/03/91/714400391.db2.gz MZNVDAWAYFAXMV-GFCCVEGCSA-N 1 0 301.350 1.744 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[NH+]2CCC(CO)(C(F)(F)F)CC2)c1 ZINC000932825114 714420261 /nfs/dbraw/zinc/42/02/61/714420261.db2.gz KOPTZFWJGAXPML-UHFFFAOYSA-N 1 0 322.287 1.428 20 5 DDBDRO O=[N+]([O-])c1ncccc1C[NH+]1CCC2(CC1)C[C@H](O)CCO2 ZINC000933052599 714507549 /nfs/dbraw/zinc/50/75/49/714507549.db2.gz IYMPWUWLGUFNJR-CYBMUJFWSA-N 1 0 307.350 1.496 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@]23C[C@H]2COC32CCC2)cc1 ZINC000933389077 714579749 /nfs/dbraw/zinc/57/97/49/714579749.db2.gz OBOAKNQAGOAZOZ-JGGQBBKZSA-N 1 0 304.346 1.929 20 5 DDBDRO COc1ccc(C[NH2+][C@H](C)C[C@H]2CCC(=O)N2)cc1[N+](=O)[O-] ZINC000924842635 714677175 /nfs/dbraw/zinc/67/71/75/714677175.db2.gz SPEAWGQXVYVROR-ZYHUDNBSSA-N 1 0 307.350 1.750 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCCCCNC(=O)CC1 ZINC000934153420 714755726 /nfs/dbraw/zinc/75/57/26/714755726.db2.gz GIZKRRJFMQDVTC-UHFFFAOYSA-N 1 0 309.370 1.092 20 5 DDBDRO O=[N+]([O-])c1ncccc1CN1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000934275912 714784191 /nfs/dbraw/zinc/78/41/91/714784191.db2.gz RXEXAESRAXJRFJ-KBPBESRZSA-N 1 0 306.366 1.021 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000934951503 714937000 /nfs/dbraw/zinc/93/70/00/714937000.db2.gz OUSWEQNSECMHQU-OLZOCXBDSA-N 1 0 321.381 1.042 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N(C)CC2CC[NH+](C)CC2)n1 ZINC000287998377 721939165 /nfs/dbraw/zinc/93/91/65/721939165.db2.gz RYXUPIREPYJVLY-UHFFFAOYSA-N 1 0 322.365 1.554 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N1CCC(C[NH+](C)C)CC1 ZINC001165041801 721942889 /nfs/dbraw/zinc/94/28/89/721942889.db2.gz DWSQSPRTWWOXPJ-UHFFFAOYSA-N 1 0 322.365 1.554 20 5 DDBDRO O=[N+]([O-])c1cc(Cl)[n+]([O-])c(-n2ccnc2[C@@H]2CCC[NH2+]C2)c1 ZINC001167055624 732358540 /nfs/dbraw/zinc/35/85/40/732358540.db2.gz JZTLJCFKDPFJDC-SECBINFHSA-N 1 0 323.740 1.534 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CC[C@@H]2C[N@H+](C)C[C@H]12 ZINC001121197458 782403844 /nfs/dbraw/zinc/40/38/44/782403844.db2.gz ASSVUBAEDOONDS-DDTOSNHZSA-N 1 0 319.361 1.673 20 5 DDBDRO Cc1cc[nH]c1C(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001126514470 740529707 /nfs/dbraw/zinc/52/97/07/740529707.db2.gz SGWAKBRNHDJLDH-UHFFFAOYSA-N 1 0 302.334 1.751 20 5 DDBDRO O=C(NCC[NH2+]Cc1cccc2cccnc21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126943660 742940002 /nfs/dbraw/zinc/94/00/02/742940002.db2.gz REBVFRRIMKGESQ-ZIAGYGMSSA-N 1 0 314.345 1.106 20 5 DDBDRO O=C(NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1)C(F)F ZINC001002198402 742948689 /nfs/dbraw/zinc/94/86/89/742948689.db2.gz LYINUCKUKXNWCA-UHFFFAOYSA-N 1 0 313.304 1.941 20 5 DDBDRO C[C@H](Cc1cnccn1)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001181264840 743130692 /nfs/dbraw/zinc/13/06/92/743130692.db2.gz AQDRQWDUECOUPJ-SNVBAGLBSA-N 1 0 312.333 1.982 20 5 DDBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc(CC[C@@H]2COCC[NH2+]2)n1 ZINC001212189461 744340357 /nfs/dbraw/zinc/34/03/57/744340357.db2.gz FYPDXTHRAULGOZ-SECBINFHSA-N 1 0 323.284 1.100 20 5 DDBDRO CCN(CCNc1ncccc1[N+](=O)[O-])C(=O)CCC[NH+](C)C ZINC001106926361 748154302 /nfs/dbraw/zinc/15/43/02/748154302.db2.gz FXBNCYAUUVBCLW-UHFFFAOYSA-N 1 0 323.397 1.592 20 5 DDBDRO CCOCCC(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001124709537 748440908 /nfs/dbraw/zinc/44/09/08/748440908.db2.gz BTYHTXJIVSMAGU-UHFFFAOYSA-N 1 0 301.368 1.289 20 5 DDBDRO CN1CCN(C(=[NH2+])Nc2ccc3cnccc3c2[N+](=O)[O-])CC1 ZINC001168736606 748466416 /nfs/dbraw/zinc/46/64/16/748466416.db2.gz JGQURGRLNURZMX-UHFFFAOYSA-N 1 0 314.349 1.737 20 5 DDBDRO O=C(C[NH+]1CCCC1)NC/C=C\CNc1ccccc1[N+](=O)[O-] ZINC001107199778 749569507 /nfs/dbraw/zinc/56/95/07/749569507.db2.gz GAAYYSFDWNDYSD-ARJAWSKDSA-N 1 0 318.377 1.775 20 5 DDBDRO CC[NH+](CC)CC(=O)NCCN(C)c1ncc(C)cc1[N+](=O)[O-] ZINC001100125849 762024222 /nfs/dbraw/zinc/02/42/22/762024222.db2.gz QKPIYYCKUJMGCJ-UHFFFAOYSA-N 1 0 323.397 1.192 20 5 DDBDRO CN(C)C(=O)c1ccc(CC[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1 ZINC001169003998 762173988 /nfs/dbraw/zinc/17/39/88/762173988.db2.gz OWZWDYNKQGFNRH-GDBMZVCRSA-N 1 0 319.405 1.966 20 5 DDBDRO CCOC(=O)c1nn([C@H]2CC[C@@H](C[N+](=O)[O-])C2)c2c1C[NH2+]CC2 ZINC001169041621 762195523 /nfs/dbraw/zinc/19/55/23/762195523.db2.gz BNRUUASZTMPUMU-MNOVXSKESA-N 1 0 322.365 1.323 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@H](N(c2cnccn2)C2CC[NH2+]CC2)C1 ZINC001169042150 762195529 /nfs/dbraw/zinc/19/55/29/762195529.db2.gz DENVFXDJJFDKFW-OCCSQVGLSA-N 1 0 305.382 1.480 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N(C(C)C)C(C)(C)C[NH3+] ZINC001163186419 753221738 /nfs/dbraw/zinc/22/17/38/753221738.db2.gz DBMHFCULRQMLAR-UHFFFAOYSA-N 1 0 310.354 1.729 20 5 DDBDRO O=[N+]([O-])c1ccc(-c2nc(-c3ccc4c(n3)CC[NH2+]C4)no2)o1 ZINC001212570834 754013320 /nfs/dbraw/zinc/01/33/20/754013320.db2.gz GYFGBGZWFUJFIN-UHFFFAOYSA-N 1 0 313.273 1.946 20 5 DDBDRO CSc1nc(Cl)nc(N2CC(C)([NH+](C)C)C2)c1[N+](=O)[O-] ZINC001165118202 756878072 /nfs/dbraw/zinc/87/80/72/756878072.db2.gz QBHYMMAOOPINGO-UHFFFAOYSA-N 1 0 317.802 1.900 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])c(-n2ccc(C[NH3+])c2)cc1OC ZINC001169725226 762609230 /nfs/dbraw/zinc/60/92/30/762609230.db2.gz BYZGHZXQNLDRLD-UHFFFAOYSA-N 1 0 305.290 1.639 20 5 DDBDRO COc1cc2ncnc(-n3nccc3C[NH3+])c2cc1[N+](=O)[O-] ZINC001155125004 760654974 /nfs/dbraw/zinc/65/49/74/760654974.db2.gz IUCBTYRXSSEMFB-UHFFFAOYSA-N 1 0 300.278 1.191 20 5 DDBDRO COc1ccc(C[C@H](C)[NH2+]CC(=O)NC2CCC2)c([N+](=O)[O-])c1 ZINC001170318169 766248436 /nfs/dbraw/zinc/24/84/36/766248436.db2.gz NPRZSZUUZLNFNY-NSHDSACASA-N 1 0 321.377 1.793 20 5 DDBDRO COc1ccc(C[C@H](C)[NH2+][C@H]2COCC[C@@H]2O)c([N+](=O)[O-])c1 ZINC001170306750 766258888 /nfs/dbraw/zinc/25/88/88/766258888.db2.gz BHRHLBQBWCJAJN-XEGUGMAKSA-N 1 0 310.350 1.274 20 5 DDBDRO COc1ccc(C[C@H](C)[NH2+][C@H]2CCNC(=O)C2)c([N+](=O)[O-])c1 ZINC001170309407 766259318 /nfs/dbraw/zinc/25/93/18/766259318.db2.gz QGVCKRWBLQTFCB-JQWIXIFHSA-N 1 0 307.350 1.403 20 5 DDBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1cc([N+](=O)[O-])cc(C)n1 ZINC001137489468 766337097 /nfs/dbraw/zinc/33/70/97/766337097.db2.gz DPCLFLLJPOHXHX-CYBMUJFWSA-N 1 0 324.381 1.385 20 5 DDBDRO Cc1cnn(C)c1C(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001132548197 768973397 /nfs/dbraw/zinc/97/33/97/768973397.db2.gz GFRBLGRNYWEAEL-UHFFFAOYSA-N 1 0 317.349 1.156 20 5 DDBDRO O=[N+]([O-])c1cc(N[C@H]2C[NH2+]C[C@H]2CO)ccc1C(F)(F)F ZINC001170776129 771199738 /nfs/dbraw/zinc/19/97/38/771199738.db2.gz ADBLOTCUYIJPQM-XVKPBYJWSA-N 1 0 305.256 1.606 20 5 DDBDRO CC1(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC001135357095 771460954 /nfs/dbraw/zinc/46/09/54/771460954.db2.gz SVBFVGAXGJBMJB-UHFFFAOYSA-N 1 0 321.377 1.617 20 5 DDBDRO O=C(Cc1ccco1)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001135587124 771589695 /nfs/dbraw/zinc/58/96/95/771589695.db2.gz MOPOPCPBBUMYGB-UHFFFAOYSA-N 1 0 303.318 1.636 20 5 DDBDRO C[NH+](C)CCC(=O)N[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC001097095723 771621817 /nfs/dbraw/zinc/62/18/17/771621817.db2.gz CQWALTWICBZECM-XYPYZODXSA-N 1 0 307.354 1.001 20 5 DDBDRO COc1nc(SC)nc(NC[C@H]2CCCC[NH2+]2)c1[N+](=O)[O-] ZINC001171328153 773415209 /nfs/dbraw/zinc/41/52/09/773415209.db2.gz LYLHOIJRMSBYLP-MRVPVSSYSA-N 1 0 313.383 1.669 20 5 DDBDRO O=C(NCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1cc(Cl)no1 ZINC001148648699 773548765 /nfs/dbraw/zinc/54/87/65/773548765.db2.gz MBGZHCIFDVPMQU-UHFFFAOYSA-N 1 0 324.724 1.756 20 5 DDBDRO Nc1ccnc(N2c3ccccc3OC[C@H]2C[NH3+])c1[N+](=O)[O-] ZINC001171401702 774515266 /nfs/dbraw/zinc/51/52/66/774515266.db2.gz XUNIHOIAMVYDMT-SECBINFHSA-N 1 0 301.306 1.430 20 5 DDBDRO Cc1ccnc(NCCNC(=O)C[N@@H+](C)C(C)C)c1[N+](=O)[O-] ZINC001093674044 774988319 /nfs/dbraw/zinc/98/83/19/774988319.db2.gz LKVPFTLVMBPCAG-UHFFFAOYSA-N 1 0 309.370 1.167 20 5 DDBDRO C[NH+]1CCC(CC(=O)NCCNc2ncccc2[N+](=O)[O-])CC1 ZINC001093874468 775171007 /nfs/dbraw/zinc/17/10/07/775171007.db2.gz YSMJDCVANHKWMD-UHFFFAOYSA-N 1 0 321.381 1.250 20 5 DDBDRO CC1(C)CC[N@H+](CC(=O)NCCNc2ccc([N+](=O)[O-])cn2)C1 ZINC001094140687 775474818 /nfs/dbraw/zinc/47/48/18/775474818.db2.gz RMXHMYOJUQNSFB-UHFFFAOYSA-N 1 0 321.381 1.250 20 5 DDBDRO CN(CCNC(=O)C1([NH+](C)C)CCC1)c1ccccc1[N+](=O)[O-] ZINC001100195913 775801002 /nfs/dbraw/zinc/80/10/02/775801002.db2.gz OAQYPXYCTBZJJQ-UHFFFAOYSA-N 1 0 320.393 1.632 20 5 DDBDRO Cc1ccc(NCCCNC(=O)CC[NH+](C)C)c([N+](=O)[O-])c1 ZINC001094751082 776246629 /nfs/dbraw/zinc/24/66/29/776246629.db2.gz BVHFQABGKCHFTB-UHFFFAOYSA-N 1 0 308.382 1.773 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3N)CC[C@@H]21 ZINC001171815429 776482661 /nfs/dbraw/zinc/48/26/61/776482661.db2.gz VUEBVRQGQAEVSM-YGRLFVJLSA-N 1 0 304.350 1.343 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@H+]1CC[C@H](O)[C@@H](CO)C1)CC2 ZINC001172903301 776915724 /nfs/dbraw/zinc/91/57/24/776915724.db2.gz GNVMATFAQXNDJV-INMHGKMJSA-N 1 0 320.389 1.517 20 5 DDBDRO COC(=O)CC[NH2+][C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173187701 777036423 /nfs/dbraw/zinc/03/64/23/777036423.db2.gz FPXDMJRQXVVHDK-SECBINFHSA-N 1 0 314.313 1.826 20 5 DDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCN1CCC[C@H](O)C1 ZINC001173219534 777051802 /nfs/dbraw/zinc/05/18/02/777051802.db2.gz NQRVFSDXAHCBGX-BBRMVZONSA-N 1 0 307.394 1.572 20 5 DDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC001173221727 777054346 /nfs/dbraw/zinc/05/43/46/777054346.db2.gz LIXCXCXNMVUHFH-CJNGLKHVSA-N 1 0 305.378 1.542 20 5 DDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[NH+](CCCO)CC1 ZINC001173221941 777054986 /nfs/dbraw/zinc/05/49/86/777054986.db2.gz NOYHUXCRNYOVNZ-CQSZACIVSA-N 1 0 307.394 1.526 20 5 DDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1(C(N)=O)CCOCC1 ZINC001173232813 777064020 /nfs/dbraw/zinc/06/40/20/777064020.db2.gz FZYNHSRSWWVOIS-NSHDSACASA-N 1 0 307.350 1.150 20 5 DDBDRO Cc1nc[nH]c1C(=O)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001177564379 778649575 /nfs/dbraw/zinc/64/95/75/778649575.db2.gz RWMXSVKNYCVCOA-UHFFFAOYSA-N 1 0 317.349 1.536 20 5 DDBDRO CC[N@H+](C)CCC(=O)NCC1(Nc2ncccc2[N+](=O)[O-])CC1 ZINC001110227732 779264954 /nfs/dbraw/zinc/26/49/54/779264954.db2.gz KBMWWFBQHFRQKT-UHFFFAOYSA-N 1 0 321.381 1.392 20 5 DDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[C@@H](C)[NH2+]C ZINC001118176034 781053490 /nfs/dbraw/zinc/05/34/90/781053490.db2.gz GRHVGYFGZVZQNV-SNVBAGLBSA-N 1 0 315.395 1.434 20 5 DDBDRO O=C(NC/C=C/C[NH2+]Cc1ccncc1Cl)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001268540552 840417392 /nfs/dbraw/zinc/41/73/92/840417392.db2.gz DRJMVBTUZBBRAL-BUQROOPJSA-N 1 0 324.768 1.162 20 5 DDBDRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001154923208 861572279 /nfs/dbraw/zinc/57/22/79/861572279.db2.gz UXODNCPNRQGLIE-RNFRBKRXSA-N 1 0 301.734 1.184 20 5 DDBDRO O=C(NCC1([NH2+]Cc2ccccc2)CCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001273084110 847885628 /nfs/dbraw/zinc/88/56/28/847885628.db2.gz BPJBHDSTQPNYSN-ZIAGYGMSSA-N 1 0 303.362 1.480 20 5 DDBDRO O=C(NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cncs1 ZINC001155208191 861843105 /nfs/dbraw/zinc/84/31/05/861843105.db2.gz KHNNOIDKLVIOCR-UHFFFAOYSA-N 1 0 320.374 1.961 20 5 DDBDRO CCC1([NH2+]CCCF)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001327449907 862184158 /nfs/dbraw/zinc/18/41/58/862184158.db2.gz UYKCMNHHQLXBKU-VXGBXAGGSA-N 1 0 301.362 1.372 20 5 DDBDRO CN1CCC(CNc2ccc([N+](=O)[O-])c(N)n2)([NH+](C)C)CC1 ZINC001156184813 862785818 /nfs/dbraw/zinc/78/58/18/862785818.db2.gz DKZGNRYAKMJHNM-UHFFFAOYSA-N 1 0 308.386 1.010 20 5 DDBDRO C[NH+](C)C[C@@]12C[C@@H]1CN(c1ncnc3ccc([N+](=O)[O-])cc31)C2 ZINC001156385659 862997312 /nfs/dbraw/zinc/99/73/12/862997312.db2.gz PDLGHYJYQHGPFI-BDJLRTHQSA-N 1 0 313.361 1.926 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC001328522389 863030475 /nfs/dbraw/zinc/03/04/75/863030475.db2.gz LQRASNNQJUBSBV-UHFFFAOYSA-N 1 0 306.366 1.539 20 5 DDBDRO O=C(CCc1ccc([N+](=O)[O-])cc1Cl)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC001122103755 858686966 /nfs/dbraw/zinc/68/69/66/858686966.db2.gz RMQPGPISGVNFAM-JQWIXIFHSA-N 1 0 309.753 1.754 20 5 DDBDRO O=C(NC1(C2CC[NH2+]CC2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC001122296128 858741462 /nfs/dbraw/zinc/74/14/62/858741462.db2.gz JYJLHRNAJAUSHF-UHFFFAOYSA-N 1 0 307.325 1.996 20 5 DDBDRO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CC[C@@H]1C[NH3+] ZINC001122296419 858741619 /nfs/dbraw/zinc/74/16/19/858741619.db2.gz SRIDCQUCLFAJFR-VXGBXAGGSA-N 1 0 320.393 1.718 20 5 DDBDRO C[N+](C)(C)CCCO[C@@H](C[N+](=O)[O-])c1ccc2c(c1)OCO2 ZINC001224621205 881476089 /nfs/dbraw/zinc/47/60/89/881476089.db2.gz NCGDPFDYWVLHFQ-HNNXBMFYSA-N 1 0 311.358 1.846 20 5 DDBDRO CC(C)[C@@]1(CO)CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001325875291 860910269 /nfs/dbraw/zinc/91/02/69/860910269.db2.gz UILNHUPTGUHFSQ-HOTGVXAUSA-N 1 0 308.378 1.969 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N2CCC3(CCC[N@H+]3C)CC2)n1 ZINC001152578248 863441909 /nfs/dbraw/zinc/44/19/09/863441909.db2.gz UDQOIRIWWATDSS-UHFFFAOYSA-N 1 0 318.377 1.999 20 5 DDBDRO Nc1nc(N(c2cnccn2)C2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC001157541772 863902285 /nfs/dbraw/zinc/90/22/85/863902285.db2.gz QHLNBWCQFISNCF-UHFFFAOYSA-N 1 0 315.337 1.252 20 5 DDBDRO COc1cc2ncnc(N3CCC[C@@H]([NH3+])[C@H]3C)c2cc1[N+](=O)[O-] ZINC001157739627 864090776 /nfs/dbraw/zinc/09/07/76/864090776.db2.gz DFHGMROEKMKXQR-MWLCHTKSSA-N 1 0 317.349 1.863 20 5 DDBDRO O=C(NCCC[NH2+]Cc1ncc(Cl)s1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157767346 864118368 /nfs/dbraw/zinc/11/83/68/864118368.db2.gz LNOBJPDSAWBSJJ-HTQZYQBOSA-N 1 0 318.786 1.058 20 5 DDBDRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001154022539 864327992 /nfs/dbraw/zinc/32/79/92/864327992.db2.gz LBJNKABUFLTMNJ-JGVFFNPUSA-N 1 0 313.745 1.280 20 5 DDBDRO CC(C)=CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2c([N+](=O)[O-])ncn2C)C1 ZINC001330557006 864450807 /nfs/dbraw/zinc/45/08/07/864450807.db2.gz ONCOZAADMPPIQL-HAQNSBGRSA-N 1 0 321.381 1.279 20 5 DDBDRO COc1cc(N2CCC(N3CC[C@@H]([NH3+])C3)CC2)ncc1[N+](=O)[O-] ZINC001158258619 864520958 /nfs/dbraw/zinc/52/09/58/864520958.db2.gz DVPRPZYPVGPOTG-LLVKDONJSA-N 1 0 321.381 1.000 20 5 DDBDRO CCN(C(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1)[C@H]1CC[NH2+]C1 ZINC001331444946 865091044 /nfs/dbraw/zinc/09/10/44/865091044.db2.gz WQWRNTGPPYGWOC-LBPRGKRZSA-N 1 0 307.350 1.736 20 5 DDBDRO COc1cc(C)nc(-n2[nH]c(=O)c(CC[NH3+])c2C)c1[N+](=O)[O-] ZINC001159293885 865205999 /nfs/dbraw/zinc/20/59/99/865205999.db2.gz RXFYZLSXRIYTLA-UHFFFAOYSA-N 1 0 307.310 1.008 20 5 DDBDRO CCOc1nc(-n2[nH]c(=O)c(CC[NH3+])c2C)ccc1[N+](=O)[O-] ZINC001159300002 865209998 /nfs/dbraw/zinc/20/99/98/865209998.db2.gz KLLCAGQDXOVPGW-UHFFFAOYSA-N 1 0 307.310 1.089 20 5 DDBDRO O=C(NCCC1=CC[N@H+](C/C=C/Cl)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001160090790 865675448 /nfs/dbraw/zinc/67/54/48/865675448.db2.gz PMWAANBWUGSHNT-RFJNLHAASA-N 1 0 313.785 1.543 20 5 DDBDRO CC(C)[C@H](C(=O)OCc1cn(C)nc1[N+](=O)[O-])[NH+]1CCCC1 ZINC001333346701 866656681 /nfs/dbraw/zinc/65/66/81/866656681.db2.gz MGRYXXRLVMAXTR-GFCCVEGCSA-N 1 0 310.354 1.492 20 5 DDBDRO COCCC1(CNc2ncc([N+](=O)[O-])cc2N)CC[NH2+]CC1 ZINC001161502506 866719579 /nfs/dbraw/zinc/71/95/79/866719579.db2.gz BNFUDFVNHQXOPX-UHFFFAOYSA-N 1 0 309.370 1.390 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@@H]1CCCC[C@H]1[NH+](C)C ZINC001333790974 867012972 /nfs/dbraw/zinc/01/29/72/867012972.db2.gz NJKWKGQVQYPTEJ-VXGBXAGGSA-N 1 0 309.370 1.089 20 5 DDBDRO Cc1cc(Cl)c([N+](=O)[O-])c(NCCN2CCC([NH3+])CC2)n1 ZINC001161867393 867047594 /nfs/dbraw/zinc/04/75/94/867047594.db2.gz GWNWZCXFJKQZNW-UHFFFAOYSA-N 1 0 313.789 1.787 20 5 DDBDRO CS(=O)(=O)N(CC[NH3+])c1cc2cccnc2c2ncccc12 ZINC001162130811 867275760 /nfs/dbraw/zinc/27/57/60/867275760.db2.gz IFQIGHRJUIEWAD-UHFFFAOYSA-N 1 0 316.386 1.508 20 5 DDBDRO Cc1nnc(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)n1C ZINC001321282526 867459709 /nfs/dbraw/zinc/45/97/09/867459709.db2.gz KFJMGKGBHCNKEN-RYUDHWBXSA-N 1 0 319.369 1.502 20 5 DDBDRO C[C@H]([NH3+])c1nc2ccccc2n1-c1cc([N+](=O)[O-])c2nncn2c1 ZINC001162777016 867813126 /nfs/dbraw/zinc/81/31/26/867813126.db2.gz IWFUFDQQKBCGNI-VIFPVBQESA-N 1 0 323.316 1.996 20 5 DDBDRO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])o3)C[C@H]2C1 ZINC001334831289 867851627 /nfs/dbraw/zinc/85/16/27/867851627.db2.gz HEHPUGQJSGQTQP-IJLUTSLNSA-N 1 0 307.350 1.990 20 5 DDBDRO O=[N+]([O-])c1c(F)cc(F)cc1NCc1nnn2c1C[NH2+]CCC2 ZINC001162972567 867962924 /nfs/dbraw/zinc/96/29/24/867962924.db2.gz YDRJUZIRYCDKGV-UHFFFAOYSA-N 1 0 324.291 1.570 20 5 DDBDRO O=[N+]([O-])c1nccnc1NCC[C@@H]1C[NH2+]Cc2cccn2C1 ZINC001163050049 868037818 /nfs/dbraw/zinc/03/78/18/868037818.db2.gz OGRUJDMSDKVBCN-LLVKDONJSA-N 1 0 302.338 1.408 20 5 DDBDRO Nc1nc(Nc2ccc([C@H](C[NH3+])CO)cc2)ccc1[N+](=O)[O-] ZINC001163052664 868040148 /nfs/dbraw/zinc/04/01/48/868040148.db2.gz JRMWUBAFXXMXNE-SNVBAGLBSA-N 1 0 303.322 1.350 20 5 DDBDRO O=[N+]([O-])c1ccc2nc(N[C@@H]3COCCC34C[NH2+]C4)ccc2c1 ZINC001163065359 868050911 /nfs/dbraw/zinc/05/09/11/868050911.db2.gz MSOXHGFLDGFCJI-CQSZACIVSA-N 1 0 314.345 1.933 20 5 DDBDRO CCOc1cnc(N[C@@H]2COCCC23C[NH2+]C3)c([N+](=O)[O-])c1 ZINC001163069973 868053058 /nfs/dbraw/zinc/05/30/58/868053058.db2.gz SECNVWNQLNMQDK-GFCCVEGCSA-N 1 0 308.338 1.179 20 5 DDBDRO O=C(CC[N@H+]1C2CCC1(CO)CC2)Nc1ccccc1[N+](=O)[O-] ZINC001335132057 868085942 /nfs/dbraw/zinc/08/59/42/868085942.db2.gz SSXCNESLOZTQOB-UHFFFAOYSA-N 1 0 319.361 1.913 20 5 DDBDRO O=[N+]([O-])c1ccnc(Cl)c1NCc1noc2c1C[NH2+]CC2 ZINC001163125629 868127278 /nfs/dbraw/zinc/12/72/78/868127278.db2.gz CJKKTVBENUGVBC-UHFFFAOYSA-N 1 0 309.713 1.889 20 5 DDBDRO O=[N+]([O-])c1cccc2c(N[C@@H]3C[NH2+][C@@H]4COC[C@H]34)ccnc21 ZINC001163147019 868157947 /nfs/dbraw/zinc/15/79/47/868157947.db2.gz CKMUCBAWCNCDHB-RAIGVLPGSA-N 1 0 300.318 1.542 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])cc1NC[C@]12C[NH2+]C[C@H]1COC2 ZINC001163155085 868167465 /nfs/dbraw/zinc/16/74/65/868167465.db2.gz XEPMMUCJVGYHBM-BONVTDFDSA-N 1 0 321.333 1.029 20 5 DDBDRO O=C(c1ccc([N+](=O)[O-])o1)N1CC[NH2+]CCC12CCOCC2 ZINC001335298910 868210887 /nfs/dbraw/zinc/21/08/87/868210887.db2.gz FJVKMYCBKTZKIZ-UHFFFAOYSA-N 1 0 309.322 1.173 20 5 DDBDRO C[C@H](CC[S@@](C)=O)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001335445872 868305166 /nfs/dbraw/zinc/30/51/66/868305166.db2.gz ULJCRIVRAFKPLA-LITPITGPSA-N 1 0 300.380 1.375 20 5 DDBDRO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC001322735655 868354690 /nfs/dbraw/zinc/35/46/90/868354690.db2.gz DXRWRSORJXVRST-STQMWFEESA-N 1 0 324.356 1.919 20 5 DDBDRO O=[N+]([O-])c1cnc2cccc(N[C@H]3CCO[C@]4(CC[NH2+]C4)C3)n21 ZINC001163333362 868363375 /nfs/dbraw/zinc/36/33/75/868363375.db2.gz RCXHHYGSIMFATC-XHDPSFHLSA-N 1 0 317.349 1.566 20 5 DDBDRO COc1nc(N[C@H]2CC[N@@H+](C(C)C)C[C@@H]2C)ncc1[N+](=O)[O-] ZINC001163357055 868390278 /nfs/dbraw/zinc/39/02/78/868390278.db2.gz ITRMAYHJJDYVSA-QWRGUYRKSA-N 1 0 309.370 1.924 20 5 DDBDRO COc1nc(N[C@@H]2CC[N@@H+](C(C)C)C[C@H]2C)ncc1[N+](=O)[O-] ZINC001163357052 868391281 /nfs/dbraw/zinc/39/12/81/868391281.db2.gz ITRMAYHJJDYVSA-GHMZBOCLSA-N 1 0 309.370 1.924 20 5 DDBDRO CC[NH2+][C@H](C)CNC(=O)NC[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001335596125 868409133 /nfs/dbraw/zinc/40/91/33/868409133.db2.gz RCOUOUMTWOKQFG-NWDGAFQWSA-N 1 0 308.382 1.996 20 5 DDBDRO CCOC(=O)CC1([NH3+])CCN(c2ncc(C)cc2[N+](=O)[O-])CC1 ZINC001163528027 868509049 /nfs/dbraw/zinc/50/90/49/868509049.db2.gz QMARWTRIGCSPRB-UHFFFAOYSA-N 1 0 322.365 1.549 20 5 DDBDRO COc1cccc(CC[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)n1 ZINC001335893278 868602797 /nfs/dbraw/zinc/60/27/97/868602797.db2.gz UJNZKPQFSGRUQU-HNNXBMFYSA-N 1 0 317.345 1.864 20 5 DDBDRO O=C(CNc1ccccc1[N+](=O)[O-])N[C@@H]1C[NH+]2CCC1CC2 ZINC001336628741 869057498 /nfs/dbraw/zinc/05/74/98/869057498.db2.gz OECFSBDXOZROAL-CYBMUJFWSA-N 1 0 304.350 1.217 20 5 DDBDRO O=C1OCC[C@H]1CCC[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC001336758856 869126758 /nfs/dbraw/zinc/12/67/58/869126758.db2.gz VGKNQOPOLKDLBC-VOMCLLRMSA-N 1 0 308.338 1.428 20 5 DDBDRO O=c1[nH][nH]cc1CCCNc1cc2c(cc1[N+](=O)[O-])C[NH2+]C2 ZINC001164381960 869170875 /nfs/dbraw/zinc/17/08/75/869170875.db2.gz IQQOSMHTHOEANO-SECBINFHSA-N 1 0 303.322 1.122 20 5 DDBDRO CCC(CC)C[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001164494392 869231810 /nfs/dbraw/zinc/23/18/10/869231810.db2.gz ICUPPVMRTFEXAJ-ZIAGYGMSSA-N 1 0 311.426 1.964 20 5 DDBDRO O=C(NCCC1(C[NH2+]CCCCCF)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001164494398 869232958 /nfs/dbraw/zinc/23/29/58/869232958.db2.gz ILIBHQWPSUFCGY-CHWSQXEVSA-N 1 0 315.389 1.668 20 5 DDBDRO CC[NH+]1CCC(N(C)c2nccc(C(=O)OC)c2[N+](=O)[O-])CC1 ZINC001165068110 869360998 /nfs/dbraw/zinc/36/09/98/869360998.db2.gz OVYFQNGZJMMRFH-UHFFFAOYSA-N 1 0 322.365 1.697 20 5 DDBDRO Cc1cc(Cl)nc(N2CC[C@@H]3[NH2+]CCO[C@H]3C2)c1[N+](=O)[O-] ZINC001165269297 869479785 /nfs/dbraw/zinc/47/97/85/869479785.db2.gz IEUJIEMSBPQJQH-UWVGGRQHSA-N 1 0 312.757 1.519 20 5 DDBDRO CCOc1nc(N2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001165292717 869500813 /nfs/dbraw/zinc/50/08/13/869500813.db2.gz QVABBPCHBRFNCV-DGCLKSJQSA-N 1 0 322.365 1.203 20 5 DDBDRO [NH3+][C@@]12C[C@@H]1CCN(c1ccc(-c3ccc([N+](=O)[O-])cc3)nn1)C2 ZINC001165326913 869518410 /nfs/dbraw/zinc/51/84/10/869518410.db2.gz LPHISJINVMMMIY-BLLLJJGKSA-N 1 0 311.345 1.979 20 5 DDBDRO Cc1nc2c(n1-c1ncc([N+](=O)[O-])c(C)c1C)CC[NH2+]CC2 ZINC001165353326 869541662 /nfs/dbraw/zinc/54/16/62/869541662.db2.gz OVRHJGHAQCLRJA-UHFFFAOYSA-N 1 0 301.350 1.789 20 5 DDBDRO COc1nc(N2C[C@H](CF)[C@H](C3([NH3+])CC3)C2)ccc1[N+](=O)[O-] ZINC001165429902 869593777 /nfs/dbraw/zinc/59/37/77/869593777.db2.gz KFPKEAOHUFMBSA-VHSXEESVSA-N 1 0 310.329 1.512 20 5 DDBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1C[C@H](C2([NH3+])CC2)[C@H](CF)C1 ZINC001165433601 869596450 /nfs/dbraw/zinc/59/64/50/869596450.db2.gz OOWROQRQYQEZFC-MNOVXSKESA-N 1 0 310.329 1.050 20 5 DDBDRO O=[N+]([O-])c1c(NCCCc2ccncc2)ncnc1C1C[NH2+]C1 ZINC001165524559 869628570 /nfs/dbraw/zinc/62/85/70/869628570.db2.gz HVIXROKRMWCTME-UHFFFAOYSA-N 1 0 314.349 1.511 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)CN(C[C@@H]1C[C@]3(CC[NH2+]C3)CO1)C2 ZINC001337823812 869644842 /nfs/dbraw/zinc/64/48/42/869644842.db2.gz FAXIKXRJJSBIHJ-HOTGVXAUSA-N 1 0 303.362 1.679 20 5 DDBDRO COCC[NH+](CCOC)C1CN(c2ccc([N+](=O)[O-])c(C)n2)C1 ZINC001338028139 869752413 /nfs/dbraw/zinc/75/24/13/869752413.db2.gz NCJWXKWIUBFVOJ-UHFFFAOYSA-N 1 0 324.381 1.082 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@H]2CC23CCOCC3)c1 ZINC001338518476 870025270 /nfs/dbraw/zinc/02/52/70/870025270.db2.gz JFMRGWKFRRPTBB-ZFWWWQNUSA-N 1 0 322.361 1.493 20 5 DDBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001338759787 870154930 /nfs/dbraw/zinc/15/49/30/870154930.db2.gz SYDWPFWZTUCBCS-BFHYXJOUSA-N 1 0 318.377 1.672 20 5 DDBDRO O=[N+]([O-])c1cnc(N2CCC[C@@H](C(F)F)C2)nc1C1C[NH2+]C1 ZINC001166776315 870241096 /nfs/dbraw/zinc/24/10/96/870241096.db2.gz GQSFVFDKPBTRMS-MRVPVSSYSA-N 1 0 313.308 1.553 20 5 DDBDRO [NH3+]CC[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)C(F)F ZINC001340164144 870931094 /nfs/dbraw/zinc/93/10/94/870931094.db2.gz MZTXSPVZILWGAE-TUAOUCFPSA-N 1 0 313.304 1.797 20 5 DDBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)[C@H]1[NH2+]CC12CCCC2 ZINC001340530141 871178029 /nfs/dbraw/zinc/17/80/29/871178029.db2.gz MIHRFFTYYRHNGN-CQSZACIVSA-N 1 0 319.361 1.622 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC001341372050 871627266 /nfs/dbraw/zinc/62/72/66/871627266.db2.gz GAZFCKBHTJRHRL-DYEKYZERSA-N 1 0 305.334 1.075 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCCC[NH2+]1 ZINC001341438915 871661209 /nfs/dbraw/zinc/66/12/09/871661209.db2.gz UCJUCZDVUIDZQA-LLVKDONJSA-N 1 0 307.350 1.865 20 5 DDBDRO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Nc3ccc(N)c([N+](=O)[O-])c3)[C@H]2C1 ZINC001310993118 871667362 /nfs/dbraw/zinc/66/73/62/871667362.db2.gz WWHAWJNIEZZPSV-GAFUQQFSSA-N 1 0 319.365 1.639 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCCC[NH2+]C1CC1 ZINC001341908108 871890775 /nfs/dbraw/zinc/89/07/75/871890775.db2.gz MQVNAZITVIXHKM-UHFFFAOYSA-N 1 0 306.366 1.533 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCCC[C@@]12CCC[NH2+]C2 ZINC001342140427 872030436 /nfs/dbraw/zinc/03/04/36/872030436.db2.gz NXMKPXFSOPAWJX-HNNXBMFYSA-N 1 0 321.381 1.234 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001342251534 872103163 /nfs/dbraw/zinc/10/31/63/872103163.db2.gz WCBCENPDXYOFBP-CYBMUJFWSA-N 1 0 321.377 1.398 20 5 DDBDRO CCOc1ccc(C(=O)N(C)[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1[N+](=O)[O-] ZINC001342798685 872388171 /nfs/dbraw/zinc/38/81/71/872388171.db2.gz VJWFNIWQBJBQGU-YABSGUDNSA-N 1 0 305.334 1.283 20 5 DDBDRO O=C(c1csc([N+](=O)[O-])c1)N1CCC2(CC1)C[NH2+]CCO2 ZINC001342823155 872402788 /nfs/dbraw/zinc/40/27/88/872402788.db2.gz LWKWJMDQMGHPPF-UHFFFAOYSA-N 1 0 311.363 1.251 20 5 DDBDRO [NH3+][C@H]1C[C@H](NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC001342831711 872407089 /nfs/dbraw/zinc/40/70/89/872407089.db2.gz ZFAGIXOVPOWXHO-ZKCHVHJHSA-N 1 0 301.705 1.536 20 5 DDBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(OCC(N)=O)CC1 ZINC001319045633 872411919 /nfs/dbraw/zinc/41/19/19/872411919.db2.gz YZSHSDJTKAVXFC-NSHDSACASA-N 1 0 307.350 1.622 20 5 DDBDRO C[C@@H]1C[C@H](NC(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC001343485353 872643384 /nfs/dbraw/zinc/64/33/84/872643384.db2.gz DAPQYMXOOBAOHM-LTZCYQRMSA-N 1 0 303.362 1.955 20 5 DDBDRO C[NH2+]CCCCC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC001343595487 872682359 /nfs/dbraw/zinc/68/23/59/872682359.db2.gz YZAXXVNVVKNLGM-UHFFFAOYSA-N 1 0 309.370 1.345 20 5 DDBDRO O=C(N[C@@H]1C[NH2+]CC12CC2)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001343641232 872697683 /nfs/dbraw/zinc/69/76/83/872697683.db2.gz NYPLPZVVHTZETM-BFHYXJOUSA-N 1 0 301.346 1.567 20 5 DDBDRO O=C(N[C@H]1C[NH2+]CC2(CCOCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC001344643562 873063831 /nfs/dbraw/zinc/06/38/31/873063831.db2.gz VASVTEOCXMXOAR-CYBMUJFWSA-N 1 0 319.361 1.483 20 5 DDBDRO COc1c(O)ccc(CNC[C@@H]2C[NH+]3CCC2CC3)c1[N+](=O)[O-] ZINC001207724258 873506336 /nfs/dbraw/zinc/50/63/36/873506336.db2.gz VUQJJKQSPJXKFQ-CYBMUJFWSA-N 1 0 321.377 1.740 20 5 DDBDRO COc1c(C(=O)N[C@@H]2CC[C@H]3C[N@H+](C)C[C@@H]32)cccc1[N+](=O)[O-] ZINC001353285490 877228669 /nfs/dbraw/zinc/22/86/69/877228669.db2.gz NQVUXIRYFZSNKY-WCFLWFBJSA-N 1 0 319.361 1.673 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCOCC2)cc1O[C@H]1CCC[NH2+]C1 ZINC001218287748 877444859 /nfs/dbraw/zinc/44/48/59/877444859.db2.gz OWZWSFWTLFVXHF-ZDUSSCGKSA-N 1 0 307.350 1.562 20 5 DDBDRO C[C@H]1CC[C@@H](Oc2[nH]c(=O)nc3cc([N+](=O)[O-])ccc32)C[NH2+]1 ZINC001218396897 877474618 /nfs/dbraw/zinc/47/46/18/877474618.db2.gz DSECNVJWXJWBTF-WCBMZHEXSA-N 1 0 304.306 1.763 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCC[C@@H]2CSCC[NH2+]2)c1 ZINC001357660035 880122619 /nfs/dbraw/zinc/12/26/19/880122619.db2.gz LNGDSFKPYJNWIY-LLVKDONJSA-N 1 0 309.391 1.728 20 5 DDBDRO C[C@@H]1C[NH2+]C[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC001358070460 880313370 /nfs/dbraw/zinc/31/33/70/880313370.db2.gz MRXKEPIQSNGGAI-MNOVXSKESA-N 1 0 314.345 1.728 20 5 DDBDRO C[NH+]1CCC(O[C@H]2CCN(c3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC001222508905 880524022 /nfs/dbraw/zinc/52/40/22/880524022.db2.gz FRDXMILKRPCQQF-AWEZNQCLSA-N 1 0 306.366 1.679 20 5 DDBDRO CCOC(=O)[C@@H](OC(=O)C[C@@H](O)C[N+](C)(C)C)c1ccccc1 ZINC001223620885 881036101 /nfs/dbraw/zinc/03/61/01/881036101.db2.gz KTFBXFGWXHTBFR-ZBFHGGJFSA-N 1 0 324.397 1.291 20 5 DDBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ncc([N+](=O)[O-])c3nc[nH]c31)C2 ZINC001227692959 883135211 /nfs/dbraw/zinc/13/52/11/883135211.db2.gz HLHDHJXAVAEUKP-MYJAWHEDSA-N 1 0 303.322 1.870 20 5 DDBDRO COC(=O)c1cccc(O[C@H]2C[NH+]3CCC2CC3)c1[N+](=O)[O-] ZINC001227891589 883217217 /nfs/dbraw/zinc/21/72/17/883217217.db2.gz CMMJJQNASPMBBO-ZDUSSCGKSA-N 1 0 306.318 1.854 20 5 DDBDRO COc1ccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)c(C(C)=O)c1 ZINC001228136166 883356945 /nfs/dbraw/zinc/35/69/45/883356945.db2.gz KYAQLQQAMBVKKC-GFCCVEGCSA-N 1 0 310.370 1.260 20 5 DDBDRO COC(=O)c1ccc2c(c1)ncnc2O[C@H](C)C[N+](C)(C)C ZINC001228881447 883712703 /nfs/dbraw/zinc/71/27/03/883712703.db2.gz LCQLWCZIFXPUNS-LLVKDONJSA-N 1 0 304.370 1.890 20 5 DDBDRO CCOC(=O)Cc1ccc([N+](=O)[O-])c(O[C@@H]2CC[N@H+](C)C2)c1 ZINC001234408463 887946739 /nfs/dbraw/zinc/94/67/39/887946739.db2.gz MSBUGPKDTXEPGK-GFCCVEGCSA-N 1 0 308.334 1.783 20 5 DDBDRO [NH3+]C[C@H]1CN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCC1(F)F ZINC001246556729 892693902 /nfs/dbraw/zinc/69/39/02/892693902.db2.gz FXGISZZZJXYNPZ-GXTWGEPZSA-N 1 0 311.332 1.978 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC(N3C[C@H]4C[NH2+]C[C@@H]43)CC2)cc1 ZINC001246922199 892988871 /nfs/dbraw/zinc/98/88/71/892988871.db2.gz UTQRHQJNZPOJKC-WBMJQRKESA-N 1 0 302.378 1.467 20 5 DDBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@@H]2C[C@]23CC[NH2+]C3)n1 ZINC001247930247 893483276 /nfs/dbraw/zinc/48/32/76/893483276.db2.gz ZTCXWRFAFYWITB-SDBXPKJASA-N 1 0 305.269 1.646 20 5 DDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])n1cncc1C[C@@H]([NH3+])CO ZINC001254539036 896494417 /nfs/dbraw/zinc/49/44/17/896494417.db2.gz DLAHUUSOBONXOK-WCQYABFASA-N 1 0 304.350 1.457 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH+]1CCC3(CC1)OCCO3)C2 ZINC001254593981 896521446 /nfs/dbraw/zinc/52/14/46/896521446.db2.gz ORTKVLWDODVVKC-HNNXBMFYSA-N 1 0 304.346 1.901 20 5 DDBDRO CN(C)C(=O)[C@H]1CCC[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254597369 896524296 /nfs/dbraw/zinc/52/42/96/896524296.db2.gz CTQRIKUNHMFCLN-XJKSGUPXSA-N 1 0 317.389 1.862 20 5 DDBDRO CN(C(=O)c1cc2cc([N+](=O)[O-])ccc2o1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001263315935 900570858 /nfs/dbraw/zinc/57/08/58/900570858.db2.gz JXUFVSHCVPDFNH-YABSGUDNSA-N 1 0 301.302 1.631 20 5 DDBDRO CC[N@@H+]1C[C@@H](C)N(c2nnc(C[N+](=O)[O-])n2CC2CC2)C[C@H]1C ZINC001263676064 900667603 /nfs/dbraw/zinc/66/76/03/900667603.db2.gz FYMXXAPGPJEQQC-VXGBXAGGSA-N 1 0 322.413 1.384 20 5 DDBDRO C/C=C(/C)C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2c([N+](=O)[O-])ncn2C)C1 ZINC001263829525 900744393 /nfs/dbraw/zinc/74/43/93/900744393.db2.gz QQPAZJWPVGDSER-FACJSSNHSA-N 1 0 321.381 1.279 20 5 DDBDRO [NH3+]C[C@@H]1CC[C@H](NC(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000449713054 230637305 /nfs/dbraw/zinc/63/73/05/230637305.db2.gz VSDGZTFZGRBINJ-MNOVXSKESA-N 1 0 309.391 1.931 20 5 DDBDRO CC[C@]1(O)CC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000495197631 529444566 /nfs/dbraw/zinc/44/45/66/529444566.db2.gz YJPOVWAXXCQHNF-ZBFHGGJFSA-N 1 0 319.361 1.547 20 5 DDBDRO CC[C@H]([NH3+])CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000294708246 529452072 /nfs/dbraw/zinc/45/20/72/529452072.db2.gz BHRBSTFGJQAGRT-LBPRGKRZSA-N 1 0 306.366 1.662 20 5 DDBDRO Cc1c(C(=O)NC[C@@H]2CCCC[N@@H+]2CCO)cccc1[N+](=O)[O-] ZINC000452391798 231375360 /nfs/dbraw/zinc/37/53/60/231375360.db2.gz QKEFCNSDQXJTLT-ZDUSSCGKSA-N 1 0 321.377 1.480 20 5 DDBDRO CC(C)COC1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000090518953 185300017 /nfs/dbraw/zinc/30/00/17/185300017.db2.gz FANAMJRRQMLZTE-UHFFFAOYSA-N 1 0 323.393 1.894 20 5 DDBDRO C[N@@H+](CCc1cccs1)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090550982 185302389 /nfs/dbraw/zinc/30/23/89/185302389.db2.gz KHQMWRROOJTPNL-UHFFFAOYSA-N 1 0 307.375 1.993 20 5 DDBDRO CS[C@H]1CCCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090564468 185303987 /nfs/dbraw/zinc/30/39/87/185303987.db2.gz AUBHMNFJFBKWOJ-ZDUSSCGKSA-N 1 0 311.407 1.974 20 5 DDBDRO CNC(=O)CC[C@H]1CCCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000286603600 219077045 /nfs/dbraw/zinc/07/70/45/219077045.db2.gz WSOYJRHYSVGXPD-GFCCVEGCSA-N 1 0 309.370 1.172 20 5 DDBDRO C[NH2+]CCCN(C)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000424038887 529963712 /nfs/dbraw/zinc/96/37/12/529963712.db2.gz YZLGQYBFPDPTKG-UHFFFAOYSA-N 1 0 311.338 1.050 20 5 DDBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000330860127 232119262 /nfs/dbraw/zinc/11/92/62/232119262.db2.gz VWMOXXFDSLBUBO-MGPQQGTHSA-N 1 0 323.393 1.359 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000330909831 232155174 /nfs/dbraw/zinc/15/51/74/232155174.db2.gz PCAOEXHMXVKKFG-JQWIXIFHSA-N 1 0 309.370 1.089 20 5 DDBDRO CCNC(=O)NC(=O)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181830067 199358430 /nfs/dbraw/zinc/35/84/30/199358430.db2.gz HIDWHYGGLLADSB-JTQLQIEISA-N 1 0 308.338 1.400 20 5 DDBDRO C[C@@H]1C[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2F)CC[N@@H+]1C ZINC000358391865 299140412 /nfs/dbraw/zinc/14/04/12/299140412.db2.gz ITIQALUXLALPCD-PWSUYJOCSA-N 1 0 309.341 1.875 20 5 DDBDRO C[NH2+]CCCNC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000121407311 185794829 /nfs/dbraw/zinc/79/48/29/185794829.db2.gz LHALKBVVFUSUQY-UHFFFAOYSA-N 1 0 310.310 1.459 20 5 DDBDRO CC[C@@]1([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCOC1 ZINC000616866080 362852981 /nfs/dbraw/zinc/85/29/81/362852981.db2.gz LTRDYARFJVQDRP-IUODEOHRSA-N 1 0 310.350 1.493 20 5 DDBDRO CC[C@]1([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCOC1 ZINC000616866185 362853571 /nfs/dbraw/zinc/85/35/71/362853571.db2.gz URWPUUWDORTDAA-HIFRSBDPSA-N 1 0 310.350 1.493 20 5 DDBDRO CC[NH+]1CCN(CC(=O)Nc2c(C)cccc2[N+](=O)[O-])CC1 ZINC000048418569 352538417 /nfs/dbraw/zinc/53/84/17/352538417.db2.gz HMBOFBBWQOUUAA-UHFFFAOYSA-N 1 0 306.366 1.479 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CNC(C)(C)C[NH+](C)C ZINC000459543062 233297929 /nfs/dbraw/zinc/29/79/29/233297929.db2.gz BKQAYUJHYDKSOA-UHFFFAOYSA-N 1 0 308.382 1.772 20 5 DDBDRO Cc1ncsc1C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000564844694 304018846 /nfs/dbraw/zinc/01/88/46/304018846.db2.gz OSAPGBDTNPQUAL-GFCCVEGCSA-N 1 0 323.374 1.889 20 5 DDBDRO Cc1n[nH]c(C(=O)N(CCC[NH3+])Cc2ccccc2)c1[N+](=O)[O-] ZINC000280110753 215384345 /nfs/dbraw/zinc/38/43/45/215384345.db2.gz NPCPUKIOVLRZKD-UHFFFAOYSA-N 1 0 317.349 1.618 20 5 DDBDRO CC[NH+](CC)[C@@H](C)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000032073244 352275119 /nfs/dbraw/zinc/27/51/19/352275119.db2.gz MFQLHKPYKNGJNZ-NSHDSACASA-N 1 0 315.395 1.603 20 5 DDBDRO CC[NH+](CC)[C@@H](C)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000032073278 352275129 /nfs/dbraw/zinc/27/51/29/352275129.db2.gz DGUOEQAAYMIKNL-NSHDSACASA-N 1 0 315.395 1.603 20 5 DDBDRO CC[NH+]1CCC(N(C)C(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000043065857 352359308 /nfs/dbraw/zinc/35/93/08/352359308.db2.gz WBNHUUILNIXRHH-UHFFFAOYSA-N 1 0 321.377 1.916 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)[NH+]1CCCC1 ZINC000046408672 352451694 /nfs/dbraw/zinc/45/16/94/352451694.db2.gz DTFJYIDVPMWLSF-LLVKDONJSA-N 1 0 307.350 1.818 20 5 DDBDRO CC(C)[C@H](CNc1c([N+](=O)[O-])ncn1C)[NH+]1CCN(C)CC1 ZINC000046551958 352456021 /nfs/dbraw/zinc/45/60/21/352456021.db2.gz SODDSCDXGBUEKV-LBPRGKRZSA-N 1 0 310.402 1.012 20 5 DDBDRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000046858786 352465446 /nfs/dbraw/zinc/46/54/46/352465446.db2.gz YZUAWMVPFIWOMA-CYBMUJFWSA-N 1 0 321.377 1.964 20 5 DDBDRO C[NH+](C)C1(CNC(=O)CNc2ccccc2[N+](=O)[O-])CCCC1 ZINC000065868461 352967000 /nfs/dbraw/zinc/96/70/00/352967000.db2.gz GGTBTMBJGPYAJZ-UHFFFAOYSA-N 1 0 320.393 1.997 20 5 DDBDRO COc1ccc(CC(=O)NCC(C)(C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000067900234 353073635 /nfs/dbraw/zinc/07/36/35/353073635.db2.gz SJFSVDLNCWPLIP-UHFFFAOYSA-N 1 0 309.366 1.602 20 5 DDBDRO NC(=O)[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000068951208 353138232 /nfs/dbraw/zinc/13/82/32/353138232.db2.gz KYAUAAITAULFSU-HNNXBMFYSA-N 1 0 315.329 1.790 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000068575518 353121349 /nfs/dbraw/zinc/12/13/49/353121349.db2.gz LBKDMAXGXIILGW-LBPRGKRZSA-N 1 0 323.397 1.338 20 5 DDBDRO NC(=O)C[C@@H]1CCCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083169809 353706413 /nfs/dbraw/zinc/70/64/13/353706413.db2.gz POKNSRRWZDGIAX-JTQLQIEISA-N 1 0 318.333 1.966 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H](C)[C@H](O)C1 ZINC000093343811 353897859 /nfs/dbraw/zinc/89/78/59/353897859.db2.gz KLMZZELQQXHDAC-IUODEOHRSA-N 1 0 321.377 1.935 20 5 DDBDRO CC[NH+]1CCN([C@@H](C)CNc2nc(C)ccc2[N+](=O)[O-])CC1 ZINC000121346299 354018233 /nfs/dbraw/zinc/01/82/33/354018233.db2.gz ZXVWCIISXXONCB-ZDUSSCGKSA-N 1 0 307.398 1.736 20 5 DDBDRO C[C@H]([NH3+])[C@H]1CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000127802026 354068537 /nfs/dbraw/zinc/06/85/37/354068537.db2.gz WGGJAJTUUOGUBK-QPUJVOFHSA-N 1 0 313.741 1.436 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC1(C(N)=O)CCOCC1 ZINC000153157404 354197726 /nfs/dbraw/zinc/19/77/26/354197726.db2.gz XCZXDHRDPBCLAD-LBPRGKRZSA-N 1 0 321.377 1.836 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)C[C@@H](O)C1CC1 ZINC000156601022 354220042 /nfs/dbraw/zinc/22/00/42/354220042.db2.gz ZCZYNHCFKYJDMU-OAHLLOKOSA-N 1 0 321.377 1.935 20 5 DDBDRO O=C(C[NH2+]C1CC1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000238156585 354350758 /nfs/dbraw/zinc/35/07/58/354350758.db2.gz RBRSICGAVGUTCH-UHFFFAOYSA-N 1 0 319.361 1.717 20 5 DDBDRO CC[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCNC1=O ZINC000281637672 354426726 /nfs/dbraw/zinc/42/67/26/354426726.db2.gz IKFUQXXBJXCVJS-CQSZACIVSA-N 1 0 307.350 1.574 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@@H](CO)CC1 ZINC000293056323 354453436 /nfs/dbraw/zinc/45/34/36/354453436.db2.gz IFHQJXOLRKTUPR-KGLIPLIRSA-N 1 0 324.377 1.429 20 5 DDBDRO Cn1c(C(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)ccc1[N+](=O)[O-] ZINC000314578276 354486150 /nfs/dbraw/zinc/48/61/50/354486150.db2.gz PCNUMQPQKIYAJL-VXGBXAGGSA-N 1 0 306.366 1.538 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]Cc2ccc(F)c(F)c2)c1 ZINC000314981647 354489803 /nfs/dbraw/zinc/48/98/03/354489803.db2.gz PCNMRGNALWIBMF-LLVKDONJSA-N 1 0 312.276 1.220 20 5 DDBDRO CCOC(=O)C1CC[NH+](CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000315391158 354493325 /nfs/dbraw/zinc/49/33/25/354493325.db2.gz IOFRYGSYCDAXBA-UHFFFAOYSA-N 1 0 310.354 1.375 20 5 DDBDRO COC(=O)c1cc(C)nc(N2CCC([NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000585703225 354830145 /nfs/dbraw/zinc/83/01/45/354830145.db2.gz SOWBGXHJZRCLOV-UHFFFAOYSA-N 1 0 322.365 1.615 20 5 DDBDRO CC[NH+](CC)[C@@H]1CCN(c2cc(N)c([N+](=O)[O-])c(CO)c2)C1 ZINC000587988135 354889826 /nfs/dbraw/zinc/88/98/26/354889826.db2.gz GBINSNPZIJUFJV-GFCCVEGCSA-N 1 0 308.382 1.590 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@H](CCO)C1CCCCC1 ZINC000183727615 199635768 /nfs/dbraw/zinc/63/57/68/199635768.db2.gz IRZBWNVEOXOYDO-OAHLLOKOSA-N 1 0 323.393 1.677 20 5 DDBDRO C[C@H]1OCC[C@@]1(C)[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000494204867 235006331 /nfs/dbraw/zinc/00/63/31/235006331.db2.gz MKRLRWMSHVIMRZ-BDJLRTHQSA-N 1 0 319.361 1.641 20 5 DDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000588838645 354941239 /nfs/dbraw/zinc/94/12/39/354941239.db2.gz XHSOQWCGNKXCOZ-RYUDHWBXSA-N 1 0 309.370 1.029 20 5 DDBDRO C[N@@H+]1C[C@H]2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3F)[C@H]2C1 ZINC000589941439 355033843 /nfs/dbraw/zinc/03/38/43/355033843.db2.gz INYUWYGNPWEOTJ-RNCFNFMXSA-N 1 0 308.313 1.902 20 5 DDBDRO COc1cc(C(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)cc([N+](=O)[O-])c1C ZINC000590047189 355044792 /nfs/dbraw/zinc/04/47/92/355044792.db2.gz XDJJTURWRTUFNN-FZMZJTMJSA-N 1 0 319.361 1.688 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)C[C@@H]1CCOC1 ZINC000494946034 235105879 /nfs/dbraw/zinc/10/58/79/235105879.db2.gz HFSZKYQSPVZLLK-LBPRGKRZSA-N 1 0 307.350 1.810 20 5 DDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CCO[C@@H]2CC[N@H+](CC)C[C@@H]21 ZINC000590141610 355053354 /nfs/dbraw/zinc/05/33/54/355053354.db2.gz RMGPBZMPKQHRNW-QWHCGFSZSA-N 1 0 323.397 1.419 20 5 DDBDRO C[N@@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000590561797 355115072 /nfs/dbraw/zinc/11/50/72/355115072.db2.gz GVVWGHBUWDPENZ-GHMZBOCLSA-N 1 0 309.322 1.123 20 5 DDBDRO CCOC(=O)c1ccnc(N2CC[C@@H]([NH+](C)C)[C@@H]2C)c1[N+](=O)[O-] ZINC000590568548 355115744 /nfs/dbraw/zinc/11/57/44/355115744.db2.gz FQNUMBXLRXNJPN-CMPLNLGQSA-N 1 0 322.365 1.695 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000591271648 355274476 /nfs/dbraw/zinc/27/44/76/355274476.db2.gz ATKOZYUKKNNAMM-MFKMUULPSA-N 1 0 308.338 1.483 20 5 DDBDRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000591348235 355294551 /nfs/dbraw/zinc/29/45/51/355294551.db2.gz GBZBDRLIDFUBLC-JSGCOSHPSA-N 1 0 306.366 1.912 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000591448701 355314552 /nfs/dbraw/zinc/31/45/52/355314552.db2.gz ONWMHQNRCMECMZ-DOMZBBRYSA-N 1 0 318.377 1.526 20 5 DDBDRO C[C@@H]1CN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@@]1(C)C[NH3+] ZINC000591282579 355277497 /nfs/dbraw/zinc/27/74/97/355277497.db2.gz OVJGLOWHVCOKCE-BDJLRTHQSA-N 1 0 321.377 1.783 20 5 DDBDRO CN1CCC[C@@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000591734050 355374036 /nfs/dbraw/zinc/37/40/36/355374036.db2.gz YOUWVZCMHGXUGN-TZMCWYRMSA-N 1 0 309.366 1.018 20 5 DDBDRO COc1ccc(CC(=O)NC[C@H]2CCCC[NH2+]2)cc1[N+](=O)[O-] ZINC000591677887 355360473 /nfs/dbraw/zinc/36/04/73/355360473.db2.gz WWYAXPJKOYLJAY-GFCCVEGCSA-N 1 0 307.350 1.404 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)n1 ZINC000591893112 355414841 /nfs/dbraw/zinc/41/48/41/355414841.db2.gz SWDNBBAXUYUAPQ-VXGBXAGGSA-N 1 0 321.381 1.415 20 5 DDBDRO [NH3+]Cc1ccc2c(c1)N(CCn1ccc([N+](=O)[O-])n1)CCO2 ZINC000601324928 358496373 /nfs/dbraw/zinc/49/63/73/358496373.db2.gz QVEYSRZVWJHEDE-UHFFFAOYSA-N 1 0 303.322 1.149 20 5 DDBDRO O=C(CC[C@@H]1CCC[NH2+]1)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000592136365 355509976 /nfs/dbraw/zinc/50/99/76/355509976.db2.gz LGBJBDDZVMOKNL-LBPRGKRZSA-N 1 0 307.350 1.622 20 5 DDBDRO O=[N+]([O-])c1cc2c(cc1CN1CC[C@@H]3[NH2+]CC[C@H]3C1)OCCO2 ZINC000592433583 355583012 /nfs/dbraw/zinc/58/30/12/355583012.db2.gz DMMFYKHSHYPMEQ-AAEUAGOBSA-N 1 0 319.361 1.550 20 5 DDBDRO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CC[C@@H]3OCC[C@@H]3C1)OCCO2 ZINC000592520435 355611074 /nfs/dbraw/zinc/61/10/74/355611074.db2.gz MWCITIGWQHCEGE-RISCZKNCSA-N 1 0 320.345 1.977 20 5 DDBDRO O=[N+]([O-])c1ccc2[nH]nc(-c3nc([C@@H]4CCC[NH2+]4)no3)c2c1 ZINC000592356639 355565665 /nfs/dbraw/zinc/56/56/65/355565665.db2.gz BURQAHASVRWNBF-JTQLQIEISA-N 1 0 300.278 1.946 20 5 DDBDRO CCc1ccc(S(=O)(=O)N2CC[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000592367089 355568334 /nfs/dbraw/zinc/56/83/34/355568334.db2.gz NQKVUPKAWMTZHG-SNVBAGLBSA-N 1 0 313.379 1.127 20 5 DDBDRO Cc1nn(C)c(C(=O)N[C@@H]2CC[NH2+]C23CCCC3)c1[N+](=O)[O-] ZINC000592570746 355632586 /nfs/dbraw/zinc/63/25/86/355632586.db2.gz QBJLJLNWAWGTAP-SNVBAGLBSA-N 1 0 307.354 1.041 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[NH2+]C23CCCC3)n1 ZINC000592569733 355632787 /nfs/dbraw/zinc/63/27/87/355632787.db2.gz CLBVDFKAABGGME-LLVKDONJSA-N 1 0 307.354 1.216 20 5 DDBDRO CN(C(=O)Cc1ccc(F)cc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000593029638 355774548 /nfs/dbraw/zinc/77/45/48/355774548.db2.gz WVDPJKDJZNAPKU-UHFFFAOYSA-N 1 0 309.341 1.829 20 5 DDBDRO COCCN1CCN(C(=O)c2cccc([N+](=O)[O-])c2)C(C)(C)C1 ZINC000593338362 355857641 /nfs/dbraw/zinc/85/76/41/355857641.db2.gz HYDVNZXLBKNPEG-UHFFFAOYSA-N 1 0 321.377 1.778 20 5 DDBDRO C[N@@H+]1C[C@H]2CCN(C(=O)Cc3ccc(F)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000593720277 355976244 /nfs/dbraw/zinc/97/62/44/355976244.db2.gz JPMZGUOOVYVVRN-BXUZGUMPSA-N 1 0 307.325 1.439 20 5 DDBDRO [NH3+][C@@H]1CCC[C@H]1CC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000593904031 356050769 /nfs/dbraw/zinc/05/07/69/356050769.db2.gz PUZQIQQRSSMRKN-SMDDNHRTSA-N 1 0 307.350 1.607 20 5 DDBDRO Cc1c(CC(=O)N[C@H](C[NH3+])C(F)(F)F)cccc1[N+](=O)[O-] ZINC000594451122 356221555 /nfs/dbraw/zinc/22/15/55/356221555.db2.gz KROZWUHWZWNJIZ-SNVBAGLBSA-N 1 0 305.256 1.452 20 5 DDBDRO C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000594474552 356229439 /nfs/dbraw/zinc/22/94/39/356229439.db2.gz IGSWMADEFSNANQ-DTORHVGOSA-N 1 0 319.408 1.275 20 5 DDBDRO O=[N+]([O-])c1ccc(CC[NH2+]C2CCN([C@H]3CCOC3)CC2)cc1 ZINC000594496081 356237775 /nfs/dbraw/zinc/23/77/75/356237775.db2.gz ZKVNFFACRKIWAR-KRWDZBQOSA-N 1 0 319.405 1.980 20 5 DDBDRO C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1)C1CC1 ZINC000594732464 356300625 /nfs/dbraw/zinc/30/06/25/356300625.db2.gz LDWPHHRFYIJBHA-LBPRGKRZSA-N 1 0 317.349 1.308 20 5 DDBDRO COCc1n[nH]c(C[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])n1 ZINC000595068468 356377971 /nfs/dbraw/zinc/37/79/71/356377971.db2.gz PHRPFVUTBWXLDV-LLVKDONJSA-N 1 0 319.365 1.970 20 5 DDBDRO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3onc(C)c3[N+](=O)[O-])[C@@H]2C1 ZINC000595489277 356514695 /nfs/dbraw/zinc/51/46/95/356514695.db2.gz LQCWKDHTAMQVLL-YNEHKIRRSA-N 1 0 322.365 1.628 20 5 DDBDRO O=[N+]([O-])c1ccc(-c2noc(C[NH2+][C@H](CO)C3CCC3)n2)cc1 ZINC000595615491 356577857 /nfs/dbraw/zinc/57/78/57/356577857.db2.gz HOMRRJRIWGJKPL-CYBMUJFWSA-N 1 0 318.333 1.895 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@H](CO)C2CCC2)c1 ZINC000595616298 356578929 /nfs/dbraw/zinc/57/89/29/356578929.db2.gz MKCOTCIGDOCUDP-DZGCQCFKSA-N 1 0 310.350 1.085 20 5 DDBDRO C[C@H]1CCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H]1CCO ZINC000595695907 356612228 /nfs/dbraw/zinc/61/22/28/356612228.db2.gz JBFUFRFUZJUKGA-SMDDNHRTSA-N 1 0 321.377 1.677 20 5 DDBDRO C[C@H]1c2ccccc2C[C@H]1[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000595709204 356617781 /nfs/dbraw/zinc/61/77/81/356617781.db2.gz XPHLOVXCJAQZET-HZUKXOBISA-N 1 0 316.361 1.470 20 5 DDBDRO CC[NH2+]CCNS(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000237017162 202123845 /nfs/dbraw/zinc/12/38/45/202123845.db2.gz OFOOETLQBLRJHY-UHFFFAOYSA-N 1 0 301.368 1.099 20 5 DDBDRO C[C@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@]1(C)CO ZINC000595868947 356684723 /nfs/dbraw/zinc/68/47/23/356684723.db2.gz CNXFAHGXXPBUCR-BLLLJJGKSA-N 1 0 321.377 1.874 20 5 DDBDRO CN(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])CC(C)(C)[NH3+] ZINC000595902079 356697889 /nfs/dbraw/zinc/69/78/89/356697889.db2.gz ODACMBROCVCTEU-UHFFFAOYSA-N 1 0 314.773 1.856 20 5 DDBDRO NC(=O)c1cc(N[C@@H]2CC[N@H+](CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000596118908 356780187 /nfs/dbraw/zinc/78/01/87/356780187.db2.gz GHBNKOQQOLPNDN-GFCCVEGCSA-N 1 0 304.350 1.590 20 5 DDBDRO COc1cccc([N+](=O)[O-])c1NCCN(C)CCC[NH+](C)C ZINC000596424665 356875534 /nfs/dbraw/zinc/87/55/34/356875534.db2.gz JUNNKPKGVXONTR-UHFFFAOYSA-N 1 0 310.398 1.899 20 5 DDBDRO CC(C)NC(=O)c1ccc(N(C)CC2C[NH+](C)C2)c([N+](=O)[O-])c1 ZINC000596453018 356884339 /nfs/dbraw/zinc/88/43/39/356884339.db2.gz HZIRTLZCPPUVRZ-UHFFFAOYSA-N 1 0 320.393 1.731 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(N2CCC([N@@H+]3CC[C@H](O)C3)CC2)c1 ZINC000596539343 356911433 /nfs/dbraw/zinc/91/14/33/356911433.db2.gz OWZYBHRZVFBSHM-AWEZNQCLSA-N 1 0 305.378 1.939 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000596580577 356923669 /nfs/dbraw/zinc/92/36/69/356923669.db2.gz OLRJIMBTLBNFQT-UHFFFAOYSA-N 1 0 319.361 1.334 20 5 DDBDRO CN(CC[NH+](C)C)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597104664 357061755 /nfs/dbraw/zinc/06/17/55/357061755.db2.gz ULQYQJNYYDEYOS-UHFFFAOYSA-N 1 0 315.761 1.856 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC2(C[NH+](C)C2)C1 ZINC000597570744 357233006 /nfs/dbraw/zinc/23/30/06/357233006.db2.gz CAWRQRNMOMPHAZ-UHFFFAOYSA-N 1 0 305.334 1.381 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000597434027 357174891 /nfs/dbraw/zinc/17/48/91/357174891.db2.gz NSEGGSFBUVIMDB-CQSZACIVSA-N 1 0 308.338 1.155 20 5 DDBDRO Cn1c(C(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000597855012 357358668 /nfs/dbraw/zinc/35/86/68/357358668.db2.gz OXIYLKXZGDFKGS-NSHDSACASA-N 1 0 308.382 1.784 20 5 DDBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000178536112 198884638 /nfs/dbraw/zinc/88/46/38/198884638.db2.gz ZHPFZXJMWLESDR-WDEREUQCSA-N 1 0 309.391 1.883 20 5 DDBDRO COC(=O)c1ccnc(NC[C@@H](C)[N@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000598592661 357644699 /nfs/dbraw/zinc/64/46/99/357644699.db2.gz LHCKTVBCJOSSDF-SECBINFHSA-N 1 0 308.338 1.671 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CCc2ccco2)c1 ZINC000598763005 357721067 /nfs/dbraw/zinc/72/10/67/357721067.db2.gz HQCYRXXEUJSTTA-ZDUSSCGKSA-N 1 0 306.318 1.760 20 5 DDBDRO COc1ccc(CC(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)cc1[N+](=O)[O-] ZINC000598671100 357679639 /nfs/dbraw/zinc/67/96/39/357679639.db2.gz YQNLAMCCDKSCAE-MLGOLLRUSA-N 1 0 319.361 1.486 20 5 DDBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1C[C@H](C(N)=O)C1 ZINC000599071261 357807902 /nfs/dbraw/zinc/80/79/02/357807902.db2.gz RADHKWKUURERCG-CKYFFXLPSA-N 1 0 320.349 1.165 20 5 DDBDRO CCN(CC[NH3+])S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000599108882 357818468 /nfs/dbraw/zinc/81/84/68/357818468.db2.gz ZNJQUUZPMVJHQY-UHFFFAOYSA-N 1 0 307.759 1.218 20 5 DDBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1COCCN1C ZINC000599004986 357790759 /nfs/dbraw/zinc/79/07/59/357790759.db2.gz YATGMOHDEXZOOO-OIQJVACTSA-N 1 0 305.378 1.918 20 5 DDBDRO O=[N+]([O-])c1ccc2ccnc(NCC[N@H+]3CC[C@H](O)C3)c2c1 ZINC000599199381 357847498 /nfs/dbraw/zinc/84/74/98/357847498.db2.gz IZONVQPXFMCKKW-ZDUSSCGKSA-N 1 0 302.334 1.622 20 5 DDBDRO CCOC(=O)C[C@H](O)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000599353588 357905723 /nfs/dbraw/zinc/90/57/23/357905723.db2.gz JQVZWORFZLATKR-AAEUAGOBSA-N 1 0 310.350 1.868 20 5 DDBDRO C[C@H]1CC(F)(F)CC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000599621811 357995395 /nfs/dbraw/zinc/99/53/95/357995395.db2.gz GMMIYEWWQGWWLA-JTQLQIEISA-N 1 0 301.293 1.876 20 5 DDBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)cc1 ZINC000599632451 357999343 /nfs/dbraw/zinc/99/93/43/357999343.db2.gz ONPCRWOVEQCUCL-ZCCHDVMBSA-N 1 0 324.402 1.959 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C)[C@H]1C[C@@H](C(N)=O)C1 ZINC000599645749 358004460 /nfs/dbraw/zinc/00/44/60/358004460.db2.gz WDNXEIBRWATCRT-PHIMTYICSA-N 1 0 320.349 1.037 20 5 DDBDRO C[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@H]1C[C@@H](O)C1 ZINC000599672350 358019088 /nfs/dbraw/zinc/01/90/88/358019088.db2.gz MCFNKVBWYRBUMR-GSJFWJNXSA-N 1 0 318.333 1.848 20 5 DDBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000599919599 358080638 /nfs/dbraw/zinc/08/06/38/358080638.db2.gz FDQGDGQBNSPAFV-CQSZACIVSA-N 1 0 318.377 1.721 20 5 DDBDRO C[NH2+]CCOCCNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000599934930 358085186 /nfs/dbraw/zinc/08/51/86/358085186.db2.gz HHWBWSUDYSQSQC-UHFFFAOYSA-N 1 0 324.381 1.365 20 5 DDBDRO CCN(C(=O)COc1cccc([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000599986087 358096433 /nfs/dbraw/zinc/09/64/33/358096433.db2.gz NKRGMQDSJRWYNB-UHFFFAOYSA-N 1 0 321.377 1.916 20 5 DDBDRO CCc1ccc(S(=O)(=O)N2CCC([NH3+])CC2)cc1[N+](=O)[O-] ZINC000565537702 304074754 /nfs/dbraw/zinc/07/47/54/304074754.db2.gz FBYUBELOKLGIDS-UHFFFAOYSA-N 1 0 313.379 1.269 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC[C@H](O)C[NH+]1CCCC1 ZINC000600717850 358293223 /nfs/dbraw/zinc/29/32/23/358293223.db2.gz CQWDLKWJOGUXDP-AWEZNQCLSA-N 1 0 309.366 1.150 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@H]2CO[C@@H](C3CC3)C2)c1 ZINC000600756097 358309000 /nfs/dbraw/zinc/30/90/00/358309000.db2.gz MFDHSBNFFFKHTD-XNRPHZJLSA-N 1 0 322.361 1.492 20 5 DDBDRO C[C@H](CNc1c([N+](=O)[O-])c(C(F)(F)F)nn1C)C[NH+](C)C ZINC000601167971 358430870 /nfs/dbraw/zinc/43/08/70/358430870.db2.gz KAWQDTCZYIREPN-SSDOTTSWSA-N 1 0 309.292 1.957 20 5 DDBDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)c3c(F)cccc3[N+](=O)[O-])C2)C1 ZINC000601596468 358617730 /nfs/dbraw/zinc/61/77/30/358617730.db2.gz ONZFQMSWXOKCIQ-OAHLLOKOSA-N 1 0 307.325 1.902 20 5 DDBDRO Cc1c(C[NH2+][C@H]2CCCS(=O)(=O)CC2)cccc1[N+](=O)[O-] ZINC000602017902 358778641 /nfs/dbraw/zinc/77/86/41/358778641.db2.gz UTGFSKSMXYWJEE-ZDUSSCGKSA-N 1 0 312.391 1.960 20 5 DDBDRO C[N@@H+]1CC[C@H](CC(=O)N[C@@](C)(CO)c2cccc([N+](=O)[O-])c2)C1 ZINC000602195466 358876285 /nfs/dbraw/zinc/87/62/85/358876285.db2.gz LSUJJTKVKJUDQE-WBMJQRKESA-N 1 0 321.377 1.260 20 5 DDBDRO C[NH2+][C@@H]1CCN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC000602425907 358968458 /nfs/dbraw/zinc/96/84/58/358968458.db2.gz YAGVMKFLVKUYSK-CYBMUJFWSA-N 1 0 303.362 1.837 20 5 DDBDRO CO[C@H]1C[NH2+][C@](C)(C(=O)N(C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000602444542 358980324 /nfs/dbraw/zinc/98/03/24/358980324.db2.gz PCJSAIXLTNEXJQ-DOMZBBRYSA-N 1 0 307.350 1.320 20 5 DDBDRO CO[C@H](CN(CC[NH3+])c1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000602659271 359107023 /nfs/dbraw/zinc/10/70/23/359107023.db2.gz LDZZRXFYUDCOPH-MRXNPFEDSA-N 1 0 323.393 1.802 20 5 DDBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@H](CO)c2cccnc2)cc1 ZINC000602663077 359109290 /nfs/dbraw/zinc/10/92/90/359109290.db2.gz SSILPZHVXZLVER-OAHLLOKOSA-N 1 0 301.346 1.898 20 5 DDBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000602588483 359057772 /nfs/dbraw/zinc/05/77/72/359057772.db2.gz AKLSGMBTGONGAM-AOOOYVTPSA-N 1 0 307.375 1.893 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CCN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000602782907 359187927 /nfs/dbraw/zinc/18/79/27/359187927.db2.gz YFAAWIPWPMGSBV-CQSZACIVSA-N 1 0 307.398 1.517 20 5 DDBDRO C[C@H]1C[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CO1 ZINC000602705080 359135960 /nfs/dbraw/zinc/13/59/60/359135960.db2.gz ZOTGZAIQVOKGEK-WCQYABFASA-N 1 0 306.366 1.726 20 5 DDBDRO Cc1cnn([C@@H]2CC[N@H+](CCn3c(C)ncc3[N+](=O)[O-])C2)c1 ZINC000602836780 359227934 /nfs/dbraw/zinc/22/79/34/359227934.db2.gz ISGUJEIBPDHLCZ-CYBMUJFWSA-N 1 0 304.354 1.552 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CCN1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000602830352 359222707 /nfs/dbraw/zinc/22/27/07/359222707.db2.gz DEIURDBUBAQLQJ-HNNXBMFYSA-N 1 0 307.398 1.517 20 5 DDBDRO Cc1cncc([N+](=O)[O-])c1NC(=O)N(CC[NH+](C)C)C(C)C ZINC000602953288 359318750 /nfs/dbraw/zinc/31/87/50/359318750.db2.gz RUJBTFYYVUZVTJ-UHFFFAOYSA-N 1 0 309.370 1.524 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@H](n3ccnn3)CC2)c1 ZINC000602888611 359272446 /nfs/dbraw/zinc/27/24/46/359272446.db2.gz OVNARVNHWWNYAF-LBPRGKRZSA-N 1 0 305.342 1.110 20 5 DDBDRO C[N@@H+]1CCC[C@H]1CCN[C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602963068 359326671 /nfs/dbraw/zinc/32/66/71/359326671.db2.gz SUXQZCXHFSPJPB-GOEBONIOSA-N 1 0 307.394 1.876 20 5 DDBDRO C[C@@](CO)([NH2+]CCOC[C@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000602965404 359329029 /nfs/dbraw/zinc/32/90/29/359329029.db2.gz FBGNILKLJHXNBB-CVEARBPZSA-N 1 0 324.377 1.588 20 5 DDBDRO C[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)CC1(CO)CC1 ZINC000186803697 200013555 /nfs/dbraw/zinc/01/35/55/200013555.db2.gz IWNDJGNSFCVDBK-ZDUSSCGKSA-N 1 0 310.350 1.039 20 5 DDBDRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000186899341 200028869 /nfs/dbraw/zinc/02/88/69/200028869.db2.gz MYQCKBMQOHNILS-MFKMUULPSA-N 1 0 309.391 1.801 20 5 DDBDRO Cc1n[nH]c(C(=O)N(C)CCCC[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000603406225 359620704 /nfs/dbraw/zinc/62/07/04/359620704.db2.gz IMJVDGYEVVWTAO-UHFFFAOYSA-N 1 0 323.397 1.964 20 5 DDBDRO O=C(NCC[N@@H+]1CCCOCC1)Nc1cccc([N+](=O)[O-])c1 ZINC000187405736 200107913 /nfs/dbraw/zinc/10/79/13/200107913.db2.gz HEXQXBPDAJHPGZ-UHFFFAOYSA-N 1 0 308.338 1.439 20 5 DDBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])cn1C)C[NH+]1CCCCC1 ZINC000604266972 359730570 /nfs/dbraw/zinc/73/05/70/359730570.db2.gz AYBDPMKNSWIELG-GFCCVEGCSA-N 1 0 308.382 1.785 20 5 DDBDRO C[N@@H+]1CCC[C@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000604546959 359763925 /nfs/dbraw/zinc/76/39/25/359763925.db2.gz NQVAYVQBWIFMED-JTQLQIEISA-N 1 0 302.334 1.900 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(C)[C@H](C)C[NH3+])c1C ZINC000237656348 202320448 /nfs/dbraw/zinc/32/04/48/202320448.db2.gz AFKJCFVLHINRRR-SECBINFHSA-N 1 0 301.368 1.179 20 5 DDBDRO Cc1c(Cl)cc(S(=O)(=O)N(C)[C@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000237656040 202320673 /nfs/dbraw/zinc/32/06/73/202320673.db2.gz FLSPMEFBIBLEPC-SSDOTTSWSA-N 1 0 321.786 1.524 20 5 DDBDRO C[NH+](C)CCn1cc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)cn1 ZINC000609442644 360307834 /nfs/dbraw/zinc/30/78/34/360307834.db2.gz OUIRLBRZHTYYKM-UHFFFAOYSA-N 1 0 321.312 1.744 20 5 DDBDRO C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)CCN1CCCC1=O ZINC000609578216 360327267 /nfs/dbraw/zinc/32/72/67/360327267.db2.gz ZEAUYFFQCVDHMX-UHFFFAOYSA-N 1 0 321.377 1.918 20 5 DDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CCCCF)cc1 ZINC000565829361 304095688 /nfs/dbraw/zinc/09/56/88/304095688.db2.gz KWJNJCYCSFYTNA-UHFFFAOYSA-N 1 0 304.343 1.708 20 5 DDBDRO CCN(CCC[NH+](CC)CC)c1ncc([N+](=O)[O-])cc1C(N)=O ZINC000190966956 200610262 /nfs/dbraw/zinc/61/02/62/200610262.db2.gz QKTAHBONAQTBQE-UHFFFAOYSA-N 1 0 323.397 1.647 20 5 DDBDRO Nc1cc(NCC[NH+]2CCCCCC2)cc(CO)c1[N+](=O)[O-] ZINC000611525090 360747053 /nfs/dbraw/zinc/74/70/53/360747053.db2.gz CDKBXIKCAJBMLT-UHFFFAOYSA-N 1 0 308.382 1.957 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@@H](CCO)C1 ZINC000612070173 360908854 /nfs/dbraw/zinc/90/88/54/360908854.db2.gz DAYJUXDTKYMMGY-KBPBESRZSA-N 1 0 324.377 1.429 20 5 DDBDRO C[C@@H](O)C[N@@H+]1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H](C)C1 ZINC000281389977 216266651 /nfs/dbraw/zinc/26/66/51/216266651.db2.gz GGBLTGDWLZNXDJ-WDEREUQCSA-N 1 0 319.365 1.362 20 5 DDBDRO CCn1ncnc1C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000359072510 299320721 /nfs/dbraw/zinc/32/07/21/299320721.db2.gz SQFDEHBZBVMEBY-NWDGAFQWSA-N 1 0 319.369 1.676 20 5 DDBDRO C[NH2+][C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000193329123 201030971 /nfs/dbraw/zinc/03/09/71/201030971.db2.gz IRWQYPPRXJWDJG-MRVPVSSYSA-N 1 0 305.381 1.029 20 5 DDBDRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000193443519 201051976 /nfs/dbraw/zinc/05/19/76/201051976.db2.gz UJNDEUGVKQVKOL-NSHDSACASA-N 1 0 324.381 1.936 20 5 DDBDRO CC[NH+](CC)[C@H]1CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000193651230 201094902 /nfs/dbraw/zinc/09/49/02/201094902.db2.gz ASGNZPLRUXXUFV-NSHDSACASA-N 1 0 308.338 1.252 20 5 DDBDRO C[C@H](c1ccccc1)[C@@H](CO)[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000613390053 361401964 /nfs/dbraw/zinc/40/19/64/361401964.db2.gz VOHUMETYJRRBLN-TZMCWYRMSA-N 1 0 304.350 1.546 20 5 DDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CCC[N@H+](CCOC)CC1 ZINC000619476678 364028128 /nfs/dbraw/zinc/02/81/28/364028128.db2.gz ZLLQIEOOBTUUAZ-UHFFFAOYSA-N 1 0 311.386 1.278 20 5 DDBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000619759467 364143422 /nfs/dbraw/zinc/14/34/22/364143422.db2.gz MPAXTROGFFDLEH-CQSZACIVSA-N 1 0 320.393 1.873 20 5 DDBDRO C[NH+](C)C1CC(NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000619872741 364170602 /nfs/dbraw/zinc/17/06/02/364170602.db2.gz IZKTWYVAQCMQDA-UHFFFAOYSA-N 1 0 320.393 1.996 20 5 DDBDRO Cc1ccc(NCCCNC(=O)[C@@H]2CC[NH2+][C@H]2C)c([N+](=O)[O-])c1 ZINC000566185784 304125848 /nfs/dbraw/zinc/12/58/48/304125848.db2.gz SCEVGDDYLGCEGG-QWHCGFSZSA-N 1 0 320.393 1.819 20 5 DDBDRO CCC[C@@H]1C[NH2+]CCN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000359225173 299364699 /nfs/dbraw/zinc/36/46/99/299364699.db2.gz SXAVOWNSWKKEKL-CYBMUJFWSA-N 1 0 307.350 1.574 20 5 DDBDRO CCCc1n[nH]c(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)c1[N+](=O)[O-] ZINC000261751922 203110764 /nfs/dbraw/zinc/11/07/64/203110764.db2.gz JADWUZQNCRGLJO-PHIMTYICSA-N 1 0 321.381 1.342 20 5 DDBDRO Cc1ccc(C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)cc1[N+](=O)[O-] ZINC000261821033 203126738 /nfs/dbraw/zinc/12/67/38/203126738.db2.gz HGMPKQZJBUZUEQ-AWEZNQCLSA-N 1 0 318.377 1.023 20 5 DDBDRO COc1ccc(C(=O)NC[C@@]2(C)CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000262344773 203268619 /nfs/dbraw/zinc/26/86/19/203268619.db2.gz USXRZKGELNZUQL-HNNXBMFYSA-N 1 0 307.350 1.723 20 5 DDBDRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000262733285 203395205 /nfs/dbraw/zinc/39/52/05/203395205.db2.gz IFCCNRHITWPUDR-RYUDHWBXSA-N 1 0 306.366 1.145 20 5 DDBDRO C[C@H]1CN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC[C@@H]1[NH3+] ZINC000094340809 193361477 /nfs/dbraw/zinc/36/14/77/193361477.db2.gz WNHDRGJZKHPCCH-GWCFXTLKSA-N 1 0 313.379 1.094 20 5 DDBDRO Cc1ccc(S(=O)(=O)N2CC[C@H]([NH3+])[C@H](C)C2)cc1[N+](=O)[O-] ZINC000094340766 193361635 /nfs/dbraw/zinc/36/16/35/193361635.db2.gz FJMXKRRSUCGGCA-PWSUYJOCSA-N 1 0 313.379 1.261 20 5 DDBDRO CN(CC1CC[NH+](C)CC1)c1ccc([N+](=O)[O-])c2nonc21 ZINC000264223372 203784206 /nfs/dbraw/zinc/78/42/06/203784206.db2.gz PQMAZGXVRYAXCJ-UHFFFAOYSA-N 1 0 305.338 1.909 20 5 DDBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000264757886 204134212 /nfs/dbraw/zinc/13/42/12/204134212.db2.gz TYWZJGXZSHAIFF-ZDUSSCGKSA-N 1 0 321.377 1.964 20 5 DDBDRO C[C@H](Cn1cccn1)[NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000264846009 204204656 /nfs/dbraw/zinc/20/46/56/204204656.db2.gz IDEXSSPUABKGQA-NEPJUHHUSA-N 1 0 317.349 1.797 20 5 DDBDRO CC(C)C(=O)NC1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000266063376 205067417 /nfs/dbraw/zinc/06/74/17/205067417.db2.gz ZJMRMALONLZVJH-UHFFFAOYSA-N 1 0 309.370 1.028 20 5 DDBDRO CC[N@@H+]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2C)[C@H](C)C1 ZINC000288380844 220120302 /nfs/dbraw/zinc/12/03/02/220120302.db2.gz KGSLTQCMLSUTCD-GFCCVEGCSA-N 1 0 305.378 1.998 20 5 DDBDRO CC(C)[NH+]1CCC(Nc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000017281463 182081028 /nfs/dbraw/zinc/08/10/28/182081028.db2.gz FBSYEFGGHATHSO-UHFFFAOYSA-N 1 0 306.366 1.978 20 5 DDBDRO Cc1cc(S(=O)(=O)NCCC[NH+](C)C)c(C)cc1[N+](=O)[O-] ZINC000416364000 307299456 /nfs/dbraw/zinc/29/94/56/307299456.db2.gz SPMRIMBBSAOVEZ-UHFFFAOYSA-N 1 0 315.395 1.442 20 5 DDBDRO C[C@H](c1ccco1)[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000267947291 206353911 /nfs/dbraw/zinc/35/39/11/206353911.db2.gz SLEXFAUXMWGPQQ-RISCZKNCSA-N 1 0 320.349 1.971 20 5 DDBDRO CC[C@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@H]1O ZINC000270839073 248691071 /nfs/dbraw/zinc/69/10/71/248691071.db2.gz DUBCZFTUOQZMBS-SWLSCSKDSA-N 1 0 321.377 1.935 20 5 DDBDRO C[C@@H](CCCC[NH3+])NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000336829540 249241566 /nfs/dbraw/zinc/24/15/66/249241566.db2.gz CPMDVWAOXRVVLT-JTQLQIEISA-N 1 0 301.368 1.391 20 5 DDBDRO C[C@@H]1C[N@H+](C)CCN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337193872 249383363 /nfs/dbraw/zinc/38/33/63/249383363.db2.gz YMVZCMNTSQGRSA-GFCCVEGCSA-N 1 0 306.366 1.559 20 5 DDBDRO CC(C)[C@@H](CCO)[NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000274011497 211271520 /nfs/dbraw/zinc/27/15/20/211271520.db2.gz LUVRRVYQLQVSPY-SMDDNHRTSA-N 1 0 309.366 1.918 20 5 DDBDRO C[N@H+](CCNC(=O)COc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000104571573 194016294 /nfs/dbraw/zinc/01/62/94/194016294.db2.gz XNHIBNFYSWVJIW-UHFFFAOYSA-N 1 0 321.377 1.964 20 5 DDBDRO Cc1cc(C2CC[NH+](CCn3cc([N+](=O)[O-])cn3)CC2)[nH]n1 ZINC000271664258 209106874 /nfs/dbraw/zinc/10/68/74/209106874.db2.gz VTUBTOSDDQNUJJ-UHFFFAOYSA-N 1 0 304.354 1.702 20 5 DDBDRO CC(C)[C@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)[NH+]1CCC(C)CC1 ZINC000285126428 218299939 /nfs/dbraw/zinc/29/99/39/218299939.db2.gz KQEJUEYFWMCEBY-ZDUSSCGKSA-N 1 0 323.397 1.804 20 5 DDBDRO C[NH+](C)CCN(C(=O)c1cc([N+](=O)[O-])n[nH]1)c1ccccc1 ZINC000285230411 218341658 /nfs/dbraw/zinc/34/16/58/218341658.db2.gz QNWFRJQBDXMDEO-UHFFFAOYSA-N 1 0 303.322 1.526 20 5 DDBDRO COc1cc(OCC(=O)NCCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000114674971 194677986 /nfs/dbraw/zinc/67/79/86/194677986.db2.gz IQPGMOPNMSZHDW-UHFFFAOYSA-N 1 0 311.338 1.050 20 5 DDBDRO COCC[N@@H+]1CC[C@@H](NC(=O)/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000491559441 532975850 /nfs/dbraw/zinc/97/58/50/532975850.db2.gz ALRYNXZWEOXSGJ-LMVHVUTASA-N 1 0 319.361 1.445 20 5 DDBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000567820633 304246435 /nfs/dbraw/zinc/24/64/35/304246435.db2.gz NEDKEHHWOLBKJR-GHMZBOCLSA-N 1 0 322.365 1.625 20 5 DDBDRO O=[N+]([O-])c1ccc2nc(N3CC[NH+](CCCO)CC3)ccc2c1 ZINC000270288964 208362448 /nfs/dbraw/zinc/36/24/48/208362448.db2.gz NOFDHBHKHSPWQX-UHFFFAOYSA-N 1 0 316.361 1.647 20 5 DDBDRO COc1ccc(OCC[N@@H+]2CCC[C@]2(C)CO)c([N+](=O)[O-])c1 ZINC000567971135 304256960 /nfs/dbraw/zinc/25/69/60/304256960.db2.gz URLGPLUNBSFDTR-OAHLLOKOSA-N 1 0 310.350 1.829 20 5 DDBDRO COc1cc(C(=O)N2CC[C@]3(CC[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC000158233159 197255520 /nfs/dbraw/zinc/25/55/20/197255520.db2.gz XANFWUZTAAFYRN-HNNXBMFYSA-N 1 0 305.334 1.429 20 5 DDBDRO Cc1c(CC(=O)N(C)C2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000158119785 197245522 /nfs/dbraw/zinc/24/55/22/197245522.db2.gz UQNMTRXUFGFAPB-UHFFFAOYSA-N 1 0 305.378 1.998 20 5 DDBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CCn2cccn2)n1 ZINC000447584369 285169820 /nfs/dbraw/zinc/16/98/20/285169820.db2.gz FJMJYAHTTDXSRB-OLZOCXBDSA-N 1 0 304.354 1.761 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N(C)[C@H](C[NH3+])C1CC1 ZINC000415507793 533139709 /nfs/dbraw/zinc/13/97/09/533139709.db2.gz UEKWPSXDXITWAV-GFCCVEGCSA-N 1 0 308.338 1.804 20 5 DDBDRO C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000155085989 197021103 /nfs/dbraw/zinc/02/11/03/197021103.db2.gz RENGXNFUOGPKPP-KGLIPLIRSA-N 1 0 306.410 1.881 20 5 DDBDRO COC[C@]1(C(=O)OC)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000294997041 533218157 /nfs/dbraw/zinc/21/81/57/533218157.db2.gz ICPANZFRHYLRRN-INIZCTEOSA-N 1 0 322.361 1.915 20 5 DDBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](c2nc(=O)[nH][nH]2)C1 ZINC000289482050 221006660 /nfs/dbraw/zinc/00/66/60/221006660.db2.gz RVDLJZZBSPQZCO-JQWIXIFHSA-N 1 0 317.349 1.947 20 5 DDBDRO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000289525847 221039657 /nfs/dbraw/zinc/03/96/57/221039657.db2.gz AYSMATPTFCEYOJ-VHSXEESVSA-N 1 0 309.753 1.930 20 5 DDBDRO O=[N+]([O-])c1cnc(N[C@@H]2CCC[N@@H+](CCCO)C2)c(Cl)c1 ZINC000294871082 224276636 /nfs/dbraw/zinc/27/66/36/224276636.db2.gz DFSOBMKSQLIENO-SNVBAGLBSA-N 1 0 314.773 1.902 20 5 DDBDRO C[C@@H]1CSC[C@H]1[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000352813285 285317834 /nfs/dbraw/zinc/31/78/34/285317834.db2.gz AVCUTAIXRPCQSW-GRYCIOLGSA-N 1 0 312.391 1.676 20 5 DDBDRO COCCC1(C)C[NH+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000289994066 221367243 /nfs/dbraw/zinc/36/72/43/221367243.db2.gz DMIOORWPVLEMKH-ZDUSSCGKSA-N 1 0 324.377 1.693 20 5 DDBDRO O=C1NCCN1CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000290015862 221380349 /nfs/dbraw/zinc/38/03/49/221380349.db2.gz SNDKBJDBOKLQDX-UHFFFAOYSA-N 1 0 304.350 1.584 20 5 DDBDRO Cn1cc(CN[C@H]2CC[NH2+]C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000414879677 224411988 /nfs/dbraw/zinc/41/19/88/224411988.db2.gz IWMGVLMEMMOZJQ-ZDUSSCGKSA-N 1 0 301.350 1.447 20 5 DDBDRO C[N@H+](CCc1ccncc1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000121609868 195315868 /nfs/dbraw/zinc/31/58/68/195315868.db2.gz JAELRMGOTMXGIS-UHFFFAOYSA-N 1 0 314.345 1.763 20 5 DDBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)C[C@@H]1CCOC1 ZINC000494957216 533327740 /nfs/dbraw/zinc/32/77/40/533327740.db2.gz NSWXHYMFZIQFRE-RYUDHWBXSA-N 1 0 307.350 1.890 20 5 DDBDRO C[C@@H]1C[C@@H](NC(=O)NCCc2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000417757644 533622972 /nfs/dbraw/zinc/62/29/72/533622972.db2.gz BLHILOJGJAZCKP-YPMHNXCESA-N 1 0 306.366 1.577 20 5 DDBDRO Cc1ccc(C)c(S(=O)(=O)NC[C@H](C)C[NH3+])c1[N+](=O)[O-] ZINC000440846444 292087511 /nfs/dbraw/zinc/08/75/11/292087511.db2.gz QTQBWIJODKQTAK-MRVPVSSYSA-N 1 0 301.368 1.085 20 5 DDBDRO Cc1ccc(C(C)(C)[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cn1 ZINC000353634653 285839968 /nfs/dbraw/zinc/83/99/68/285839968.db2.gz MCBBHDITTPYCIE-CQSZACIVSA-N 1 0 319.365 1.381 20 5 DDBDRO CC(C)(C)[NH2+]CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000353742449 285902431 /nfs/dbraw/zinc/90/24/31/285902431.db2.gz VSKLEGVVPMHHAU-UHFFFAOYSA-N 1 0 323.349 1.484 20 5 DDBDRO Nc1ncc([N+](=O)[O-])cc1C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000570513713 304413308 /nfs/dbraw/zinc/41/33/08/304413308.db2.gz WGYGSHXIUSBRML-UHFFFAOYSA-N 1 0 319.365 1.176 20 5 DDBDRO C[C@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)C[NH+]1CCCC1 ZINC000068179843 406621825 /nfs/dbraw/zinc/62/18/25/406621825.db2.gz XLRHGYBXEJLJSW-SNVBAGLBSA-N 1 0 324.356 1.778 20 5 DDBDRO CC[NH+](CC)CCNC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000015339716 406881082 /nfs/dbraw/zinc/88/10/82/406881082.db2.gz RWLGZSXFAPTHJE-UHFFFAOYSA-N 1 0 323.349 1.453 20 5 DDBDRO CCC[N@@H+]1CCCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000074290023 406908158 /nfs/dbraw/zinc/90/81/58/406908158.db2.gz MJYOTEUKDHDRFE-UHFFFAOYSA-N 1 0 320.393 1.611 20 5 DDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCC[NH2+]C1CC1 ZINC000036267423 406978535 /nfs/dbraw/zinc/97/85/35/406978535.db2.gz MKTKPQINSUSNSH-UHFFFAOYSA-N 1 0 313.379 1.324 20 5 DDBDRO COC(=O)C1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000078297412 407024447 /nfs/dbraw/zinc/02/44/47/407024447.db2.gz OZGADYCHVUXBPH-UHFFFAOYSA-N 1 0 308.334 1.859 20 5 DDBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000046132934 407055606 /nfs/dbraw/zinc/05/56/06/407055606.db2.gz WECJUHNPQVOIPM-CYBMUJFWSA-N 1 0 307.350 1.574 20 5 DDBDRO C[NH+](C)Cc1cccc(NC(=O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000047454124 407074349 /nfs/dbraw/zinc/07/43/49/407074349.db2.gz AEKMLURTIPFTHE-UHFFFAOYSA-N 1 0 303.322 1.492 20 5 DDBDRO C[N@H+](CCC(=O)N1CCOCC1)Cc1ccccc1[N+](=O)[O-] ZINC000051383331 407139763 /nfs/dbraw/zinc/13/97/63/407139763.db2.gz PEPRWWLZKPOXEC-UHFFFAOYSA-N 1 0 307.350 1.276 20 5 DDBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@@]1(O)CCOC1)C1CC1 ZINC000090848507 407171816 /nfs/dbraw/zinc/17/18/16/407171816.db2.gz PVKFMZQYTAHQQW-HOCLYGCPSA-N 1 0 306.362 1.657 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)CC[NH+]1CCCC1 ZINC000103115661 407331141 /nfs/dbraw/zinc/33/11/41/407331141.db2.gz DYGJWCJDBSLUOA-UHFFFAOYSA-N 1 0 309.370 1.044 20 5 DDBDRO Cc1ccc(C[NH2+]CC(C)(C)NS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000067005668 407265942 /nfs/dbraw/zinc/26/59/42/407265942.db2.gz WDFFHNBMIKKKHU-UHFFFAOYSA-N 1 0 315.395 1.321 20 5 DDBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000123713926 407337231 /nfs/dbraw/zinc/33/72/31/407337231.db2.gz HUUXPAMJXZTEMC-CYBMUJFWSA-N 1 0 320.393 1.997 20 5 DDBDRO Cc1cccc(C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000106819198 407361197 /nfs/dbraw/zinc/36/11/97/407361197.db2.gz KDNWDBCLQKTUBQ-ZDUSSCGKSA-N 1 0 320.393 1.269 20 5 DDBDRO NC(=O)CC[C@H]1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000170731154 407483503 /nfs/dbraw/zinc/48/35/03/407483503.db2.gz JLQIOGVKYFKFOT-CYBMUJFWSA-N 1 0 321.377 1.951 20 5 DDBDRO CCOC(=O)CCN(C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000178558079 407491809 /nfs/dbraw/zinc/49/18/09/407491809.db2.gz YZRLKGAEFPCNCX-UHFFFAOYSA-N 1 0 323.349 1.727 20 5 DDBDRO CNC(=O)CC[N@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000170782845 407502203 /nfs/dbraw/zinc/50/22/03/407502203.db2.gz SMJDWJYNUCIBBU-LLVKDONJSA-N 1 0 322.365 1.298 20 5 DDBDRO COCC(C)(C)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000178601213 407504191 /nfs/dbraw/zinc/50/41/91/407504191.db2.gz AZBSHPNTYDUZME-UHFFFAOYSA-N 1 0 311.338 1.557 20 5 DDBDRO C[C@H]1C[C@@H](N(C)C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC[N@@H+]1C ZINC000127574989 407442766 /nfs/dbraw/zinc/44/27/66/407442766.db2.gz HOTGFEGXIAZZMS-ONGXEEELSA-N 1 0 324.356 1.871 20 5 DDBDRO CC[N@H+](CCNC(=O)CNc1ccccc1[N+](=O)[O-])C(C)C ZINC000112928324 407448597 /nfs/dbraw/zinc/44/85/97/407448597.db2.gz CCXQATCFCDMCLE-UHFFFAOYSA-N 1 0 308.382 1.853 20 5 DDBDRO C[NH2+][C@@H]1CCCN([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000261685142 407577710 /nfs/dbraw/zinc/57/77/10/407577710.db2.gz DNJAEUCGVGOYKA-NWDGAFQWSA-N 1 0 306.366 1.606 20 5 DDBDRO C[NH+](C)C[C@H]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000114199822 407550363 /nfs/dbraw/zinc/55/03/63/407550363.db2.gz RRUYMUSIOYQRSL-LLVKDONJSA-N 1 0 306.366 1.077 20 5 DDBDRO CC[NH2+]CC1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000261781895 407614498 /nfs/dbraw/zinc/61/44/98/407614498.db2.gz RWPGISHGNIJJRC-UHFFFAOYSA-N 1 0 320.393 1.855 20 5 DDBDRO [NH3+][C@@H]1CN(CCn2cc([N+](=O)[O-])cn2)C[C@H]1c1ccccc1 ZINC000261852855 407641367 /nfs/dbraw/zinc/64/13/67/407641367.db2.gz VPUDTUQRXFXPFW-LSDHHAIUSA-N 1 0 301.350 1.218 20 5 DDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000228073092 407641713 /nfs/dbraw/zinc/64/17/13/407641713.db2.gz AIONDRURXAQLQI-KOLCDFICSA-N 1 0 313.379 1.261 20 5 DDBDRO Cc1c(C(=O)NCC2=CC[NH2+]CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000186367278 407651295 /nfs/dbraw/zinc/65/12/95/407651295.db2.gz PHHAMMUHJOCHCG-UHFFFAOYSA-N 1 0 320.305 1.461 20 5 DDBDRO CCOc1ccc(C(=O)NCC2=CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000186379814 407654332 /nfs/dbraw/zinc/65/43/32/407654332.db2.gz QACOMZVYXHMKBQ-UHFFFAOYSA-N 1 0 305.334 1.643 20 5 DDBDRO CC(=O)N1CCN(CC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000266903038 407669108 /nfs/dbraw/zinc/66/91/08/407669108.db2.gz UPZBACYICVSAGX-CYBMUJFWSA-N 1 0 320.393 1.410 20 5 DDBDRO C[C@H](O)C[C@@H]1CCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000152879306 407710700 /nfs/dbraw/zinc/71/07/00/407710700.db2.gz PTXFMOQIANTXKX-YDHLFZDLSA-N 1 0 324.377 1.570 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCc3c(F)cccc3C2)c1 ZINC000152912732 407712604 /nfs/dbraw/zinc/71/26/04/407712604.db2.gz DBQKFHXHLXHPHO-ZDUSSCGKSA-N 1 0 320.324 1.350 20 5 DDBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@H](CCO)c1ccccc1 ZINC000267043202 407727827 /nfs/dbraw/zinc/72/78/27/407727827.db2.gz DMIYLMLUYPJDOX-CQSZACIVSA-N 1 0 304.350 1.847 20 5 DDBDRO C[NH+](C)C[C@@](C)(O)CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000153024016 407739467 /nfs/dbraw/zinc/73/94/67/407739467.db2.gz UDIJOUIMVYSALH-PPYMECGQSA-N 1 0 307.350 1.037 20 5 DDBDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000272187725 407810705 /nfs/dbraw/zinc/81/07/05/407810705.db2.gz DWSIVUVGDMEUFY-IUCAKERBSA-N 1 0 308.294 1.312 20 5 DDBDRO O=[N+]([O-])c1ccc(CN2CCN([C@@H]3CC[NH2+]C3)CC2)c(F)c1 ZINC000262532263 407858518 /nfs/dbraw/zinc/85/85/18/407858518.db2.gz PTVRZKOMQPPTIN-CQSZACIVSA-N 1 0 308.357 1.213 20 5 DDBDRO C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C[N@@H+]1C1CC1 ZINC000133592208 407863327 /nfs/dbraw/zinc/86/33/27/407863327.db2.gz BIXNSZRZIVMUNB-IUCAKERBSA-N 1 0 306.322 1.050 20 5 DDBDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C1 ZINC000272317952 407864167 /nfs/dbraw/zinc/86/41/67/407864167.db2.gz STESWZNKOXCDEY-WDEREUQCSA-N 1 0 306.366 1.470 20 5 DDBDRO [NH3+]CC1(NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)CCCC1 ZINC000238016244 407869109 /nfs/dbraw/zinc/86/91/09/407869109.db2.gz KFBFOUWNPZNRHS-UHFFFAOYSA-N 1 0 311.313 1.500 20 5 DDBDRO Cc1nn(C)c(N2CC[C@@H](C)[C@H](n3ccnc3)C2)c1[N+](=O)[O-] ZINC000134081608 407883255 /nfs/dbraw/zinc/88/32/55/407883255.db2.gz UVBXXKSLHYUDRZ-ZYHUDNBSSA-N 1 0 304.354 1.921 20 5 DDBDRO C[NH+](C)CCCCNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000272414576 407910118 /nfs/dbraw/zinc/91/01/18/407910118.db2.gz ZTILJNPRCZFNQK-UHFFFAOYSA-N 1 0 309.322 1.395 20 5 DDBDRO CCN1CC[NH+](C[C@@H](C)CNc2ccc([N+](=O)[O-])c(C)n2)CC1 ZINC000268431893 408042225 /nfs/dbraw/zinc/04/22/25/408042225.db2.gz BGJRRIPLDLQPCI-ZDUSSCGKSA-N 1 0 321.425 1.984 20 5 DDBDRO COc1cc(C(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)cc([N+](=O)[O-])c1OC ZINC000272589902 407997885 /nfs/dbraw/zinc/99/78/85/407997885.db2.gz PJBRRXIBHNBZRP-ZJUUUORDSA-N 1 0 323.349 1.434 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C1(CO)CCCC1 ZINC000182207964 408092439 /nfs/dbraw/zinc/09/24/39/408092439.db2.gz ZGHFWTLLCNSVDR-GFCCVEGCSA-N 1 0 310.350 1.229 20 5 DDBDRO COc1ccc(NC(=O)C[C@H]2CSCC[NH2+]2)cc1[N+](=O)[O-] ZINC000136481931 408105890 /nfs/dbraw/zinc/10/58/90/408105890.db2.gz PVJRZHLWCDQCMX-JTQLQIEISA-N 1 0 311.363 1.637 20 5 DDBDRO C[C@H]1CCC[C@](CNC(=O)c2[nH]ncc2[N+](=O)[O-])([NH+](C)C)C1 ZINC000137899265 408161936 /nfs/dbraw/zinc/16/19/36/408161936.db2.gz DDEKFQDNLRUUOJ-HZMBPMFUSA-N 1 0 309.370 1.558 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C)c1cnn(C)c1 ZINC000273414068 408188614 /nfs/dbraw/zinc/18/86/14/408188614.db2.gz UCHMGUNKCIMBGE-LLVKDONJSA-N 1 0 317.349 1.926 20 5 DDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1F)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000151012934 408239428 /nfs/dbraw/zinc/23/94/28/408239428.db2.gz OBHTUIMKLSEFMG-CQSZACIVSA-N 1 0 321.352 1.973 20 5 DDBDRO C[C@H]([NH2+]CCCN1CCC[C@@H]1C(N)=O)c1ccc([N+](=O)[O-])cc1 ZINC000268966067 408221990 /nfs/dbraw/zinc/22/19/90/408221990.db2.gz YMDCZEFZDXGTBS-SWLSCSKDSA-N 1 0 320.393 1.585 20 5 DDBDRO CCC[C@](C)([NH3+])C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000269197008 408230868 /nfs/dbraw/zinc/23/08/68/408230868.db2.gz TVJSBIOBCVJSHA-INIZCTEOSA-N 1 0 320.393 1.761 20 5 DDBDRO CCC[N@H+](CC)CCNC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000269524545 408340833 /nfs/dbraw/zinc/34/08/33/408340833.db2.gz QVNXSTAZZIUDBJ-UHFFFAOYSA-N 1 0 311.386 1.903 20 5 DDBDRO C[NH2+]C[C@@H](C)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000133230691 162054325 /nfs/dbraw/zinc/05/43/25/162054325.db2.gz MUMDSUIDBKZQNS-SECBINFHSA-N 1 0 301.368 1.037 20 5 DDBDRO C[NH2+]C[C@H](C)CNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000138081624 162129329 /nfs/dbraw/zinc/12/93/29/162129329.db2.gz RSXCZYWFMLREHA-VIFPVBQESA-N 1 0 301.368 1.266 20 5 DDBDRO COCC[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000138550490 162130744 /nfs/dbraw/zinc/13/07/44/162130744.db2.gz YVYSRGRYUKLEJR-UHFFFAOYSA-N 1 0 321.377 1.744 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC3(C2)CCCCC3)c1 ZINC000173803680 162366697 /nfs/dbraw/zinc/36/66/97/162366697.db2.gz BUUVMMPNHJUKBP-CQSZACIVSA-N 1 0 308.382 1.808 20 5 DDBDRO CC[C@@H](CO)[NH+]1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000269645963 408373548 /nfs/dbraw/zinc/37/35/48/408373548.db2.gz KZSWYXZWCNFPMO-GOEBONIOSA-N 1 0 323.393 1.017 20 5 DDBDRO COC[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C1CC1 ZINC000183437846 408411382 /nfs/dbraw/zinc/41/13/82/408411382.db2.gz IRTWYZRPNTWRGC-ZDUSSCGKSA-N 1 0 323.349 1.557 20 5 DDBDRO CC(C)[N@@H+]1CCC[C@H](NC(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000274472958 408419992 /nfs/dbraw/zinc/41/99/92/408419992.db2.gz LMBIUZJERMMEHH-ZDUSSCGKSA-N 1 0 320.393 1.996 20 5 DDBDRO O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000264286478 408426658 /nfs/dbraw/zinc/42/66/58/408426658.db2.gz KTPNOWVTIIACPO-GFCCVEGCSA-N 1 0 314.345 1.996 20 5 DDBDRO C[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@H]1CO ZINC000191729994 408480560 /nfs/dbraw/zinc/48/05/60/408480560.db2.gz XEWVWXRPWDWGSL-MFKMUULPSA-N 1 0 308.334 1.522 20 5 DDBDRO CCc1n[nH]c(C(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)c1[N+](=O)[O-] ZINC000176943941 408481867 /nfs/dbraw/zinc/48/18/67/408481867.db2.gz OYOLABUSISJQGD-LLVKDONJSA-N 1 0 323.397 1.588 20 5 DDBDRO C[C@@H](O)C[N@@H+]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000192029880 408531049 /nfs/dbraw/zinc/53/10/49/408531049.db2.gz AHOPVGYJAVIQDY-VXGBXAGGSA-N 1 0 322.365 1.514 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000247382259 408461478 /nfs/dbraw/zinc/46/14/78/408461478.db2.gz LMOXTLVGWZTGPC-YGRLFVJLSA-N 1 0 306.366 1.710 20 5 DDBDRO Cc1cc(C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c(N)c([N+](=O)[O-])c1 ZINC000248618625 408597115 /nfs/dbraw/zinc/59/71/15/408597115.db2.gz MMEPNFUTSRUTHG-DLOVCJGASA-N 1 0 304.350 1.295 20 5 DDBDRO C[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C[C@@H]1CCC[C@@H]1O ZINC000162490735 408708073 /nfs/dbraw/zinc/70/80/73/408708073.db2.gz IIQRPQSOFIXUDC-NOLJZWGESA-N 1 0 324.377 1.427 20 5 DDBDRO C[NH2+]C[C@H](C)CNS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000193276500 408708825 /nfs/dbraw/zinc/70/88/25/408708825.db2.gz OQVOJMJYFDIHSU-VIFPVBQESA-N 1 0 315.395 1.345 20 5 DDBDRO C[C@H]1CN(c2cc(N)ccc2[N+](=O)[O-])CC[N@@H+]1CC(C)(C)O ZINC000193522084 408725602 /nfs/dbraw/zinc/72/56/02/408725602.db2.gz YGXFCQYJZABWQZ-NSHDSACASA-N 1 0 308.382 1.458 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000162188322 408676909 /nfs/dbraw/zinc/67/69/09/408676909.db2.gz XPSONIUHPPLVKG-CYBMUJFWSA-N 1 0 323.397 1.194 20 5 DDBDRO C[C@H](O)CN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000251714141 408785670 /nfs/dbraw/zinc/78/56/70/408785670.db2.gz KVAYODZSJMPBNN-RYUDHWBXSA-N 1 0 307.350 1.122 20 5 DDBDRO COC(=O)C(C)(C)C[NH2+]Cc1cc(OC)c(O)cc1[N+](=O)[O-] ZINC000281606422 408895400 /nfs/dbraw/zinc/89/54/00/408895400.db2.gz GHTGWPWZIPXQSG-UHFFFAOYSA-N 1 0 312.322 1.598 20 5 DDBDRO CCc1n[nH]c(C(=O)N(C)CCC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000281621460 408898585 /nfs/dbraw/zinc/89/85/85/408898585.db2.gz FUYDCMVLINWAFK-UHFFFAOYSA-N 1 0 309.370 1.438 20 5 DDBDRO CN(CCC[NH+]1CCCC1)C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000281662670 408906688 /nfs/dbraw/zinc/90/66/88/408906688.db2.gz JBYJLYIUNDEKFW-UHFFFAOYSA-N 1 0 308.338 1.253 20 5 DDBDRO C[NH+](C)CC1(NC(=O)CNc2ccccc2[N+](=O)[O-])CCC1 ZINC000281672849 408907986 /nfs/dbraw/zinc/90/79/86/408907986.db2.gz JYBHHCHLJXKKGM-UHFFFAOYSA-N 1 0 306.366 1.607 20 5 DDBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000285902568 408886286 /nfs/dbraw/zinc/88/62/86/408886286.db2.gz CYTNPKTUJGWSKR-ZETOZRRWSA-N 1 0 307.350 1.476 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH+]3CCC2CC3)c1 ZINC000188863141 163074345 /nfs/dbraw/zinc/07/43/45/163074345.db2.gz RJCVUOSJTUWPKB-UHFFFAOYSA-N 1 0 305.334 1.524 20 5 DDBDRO C[C@H](O)C[C@@H]1CCCCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000286166584 408935672 /nfs/dbraw/zinc/93/56/72/408935672.db2.gz WOIPALXJXAUSHJ-KBPBESRZSA-N 1 0 323.393 1.772 20 5 DDBDRO C[C@H]1C[C@H](N2CCOCC2)C[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000286174133 408936871 /nfs/dbraw/zinc/93/68/71/408936871.db2.gz WXNUBHGNSABBKV-YOEHRIQHSA-N 1 0 319.405 1.932 20 5 DDBDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)NCc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000291991089 408957889 /nfs/dbraw/zinc/95/78/89/408957889.db2.gz QNWIQZFCGPSMDA-MRXNPFEDSA-N 1 0 318.377 1.832 20 5 DDBDRO C[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]1CO ZINC000281952719 408960714 /nfs/dbraw/zinc/96/07/14/408960714.db2.gz FQKFDWBHJKQAIU-SMDDNHRTSA-N 1 0 307.350 1.626 20 5 DDBDRO Cc1cc(OCC(=O)N(C)C2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000282014507 408972210 /nfs/dbraw/zinc/97/22/10/408972210.db2.gz PUVLJJRAOCYXFK-UHFFFAOYSA-N 1 0 321.377 1.835 20 5 DDBDRO C[C@@H](O)C[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000282094579 408989757 /nfs/dbraw/zinc/98/97/57/408989757.db2.gz OWOJEYKSQXETGV-VXGBXAGGSA-N 1 0 311.357 1.621 20 5 DDBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000287309705 409017418 /nfs/dbraw/zinc/01/74/18/409017418.db2.gz UQXVOSVOEOHPIQ-RISCZKNCSA-N 1 0 318.377 1.876 20 5 DDBDRO Cc1nc(N2CC[N@H+](C3CCOCC3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000278682204 409086134 /nfs/dbraw/zinc/08/61/34/409086134.db2.gz DKSIJIXMLYTYAB-GFCCVEGCSA-N 1 0 320.393 1.988 20 5 DDBDRO COC(=O)c1cc(C)nc(NC[C@@H]2CC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000287821943 409098691 /nfs/dbraw/zinc/09/86/91/409098691.db2.gz KGLCXQVXCABPHW-JTQLQIEISA-N 1 0 308.338 1.448 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000293570085 409140240 /nfs/dbraw/zinc/14/02/40/409140240.db2.gz XXRXQBQXABXXDO-ZWNOBZJWSA-N 1 0 305.334 1.427 20 5 DDBDRO Nc1ccc(N2CC[NH+](C[C@@H]3CCOC3)CC2)c([N+](=O)[O-])c1 ZINC000283436303 409156381 /nfs/dbraw/zinc/15/63/81/409156381.db2.gz CASMBRXZXPVNDB-LBPRGKRZSA-N 1 0 306.366 1.336 20 5 DDBDRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000293967864 409217048 /nfs/dbraw/zinc/21/70/48/409217048.db2.gz ULJOLMVAHWISJQ-LSDHHAIUSA-N 1 0 319.361 1.530 20 5 DDBDRO COc1cc(C[N@@H+]2CC[C@](C)(C(N)=O)C2)c([N+](=O)[O-])cc1OC ZINC000280278896 409284609 /nfs/dbraw/zinc/28/46/09/409284609.db2.gz NDXFOGUXZVXWEV-HNNXBMFYSA-N 1 0 323.349 1.309 20 5 DDBDRO C[C@@H]([NH2+]CCN1CCC(O)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000296044765 409410327 /nfs/dbraw/zinc/41/03/27/409410327.db2.gz UQTJJBMHZVJXME-LLVKDONJSA-N 1 0 308.382 1.284 20 5 DDBDRO NC(=O)c1ccnc(NC2CC[NH+](C3CC3)CC2)c1[N+](=O)[O-] ZINC000290538243 409436439 /nfs/dbraw/zinc/43/64/39/409436439.db2.gz OZBXZTQQMJJFCY-UHFFFAOYSA-N 1 0 305.338 1.127 20 5 DDBDRO C[C@H]1CCOCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000373280178 164169332 /nfs/dbraw/zinc/16/93/32/164169332.db2.gz JMGOGFHUOUVIAQ-STQMWFEESA-N 1 0 310.350 1.445 20 5 DDBDRO O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000408024753 164201865 /nfs/dbraw/zinc/20/18/65/164201865.db2.gz GTRPCSFAZFIBLZ-NSHDSACASA-N 1 0 314.345 1.996 20 5 DDBDRO COc1ccc(C[NH2+][C@@H]2CS(=O)(=O)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000342415676 409612569 /nfs/dbraw/zinc/61/25/69/409612569.db2.gz KMSMUTMUQPPHCI-GXSJLCMTSA-N 1 0 314.363 1.126 20 5 DDBDRO O=C(COc1cccc([N+](=O)[O-])c1)NCCNc1cc[nH+]cc1 ZINC000338071200 409696338 /nfs/dbraw/zinc/69/63/38/409696338.db2.gz RXAZRAHGPBGWSD-UHFFFAOYSA-N 1 0 316.317 1.019 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H](c2cccs2)C2CC2)c1 ZINC000342469163 409655508 /nfs/dbraw/zinc/65/55/08/409655508.db2.gz DMQLCJKELLMAPP-GXTWGEPZSA-N 1 0 322.390 1.955 20 5 DDBDRO C[C@H](NC(=O)[C@H]1C[N@@H+]2CCN1CCC2)c1ccccc1[N+](=O)[O-] ZINC000342475251 409663984 /nfs/dbraw/zinc/66/39/84/409663984.db2.gz RNUSOYXKEITLHJ-SWLSCSKDSA-N 1 0 318.377 1.162 20 5 DDBDRO C[C@H](C[C@H](C)[NH3+])NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000320698813 409907947 /nfs/dbraw/zinc/90/79/47/409907947.db2.gz RLRYJDLNEGYYAV-JGVFFNPUSA-N 1 0 321.786 1.652 20 5 DDBDRO C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)[C@@H](C)[C@H]1[NH3+] ZINC000297321124 409911210 /nfs/dbraw/zinc/91/12/10/409911210.db2.gz GUHIZRWTAQRBOG-PGUXBMHVSA-N 1 0 320.393 1.859 20 5 DDBDRO Cc1cccc(OCC[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000321203354 409911373 /nfs/dbraw/zinc/91/13/73/409911373.db2.gz WNZQSUNCGHSSAJ-AWEZNQCLSA-N 1 0 320.349 1.129 20 5 DDBDRO C[C@H]1[NH2+]CCC[C@@H]1C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000342750481 409872754 /nfs/dbraw/zinc/87/27/54/409872754.db2.gz MEVKBQYNAZRZQV-RISCZKNCSA-N 1 0 306.366 1.511 20 5 DDBDRO O=C(NC1CC[NH+](C2CCC2)CC1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000298093784 410110217 /nfs/dbraw/zinc/11/02/17/410110217.db2.gz BHZZMIYOLDRNCF-UHFFFAOYSA-N 1 0 320.349 1.442 20 5 DDBDRO CC[N@@H+]1CC[C@@H]2OCCN(Cc3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000339399026 410161906 /nfs/dbraw/zinc/16/19/06/410161906.db2.gz YNBATDFBURBILB-HOTGVXAUSA-N 1 0 305.378 1.890 20 5 DDBDRO C[C@@H]1C[C@@H](NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC[N@@H+]1C ZINC000332695030 410218864 /nfs/dbraw/zinc/21/88/64/410218864.db2.gz RJERJTBNEAAPTB-KOLCDFICSA-N 1 0 321.333 1.536 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NCC1=CC[N@H+](C)CC1 ZINC000343265537 410291876 /nfs/dbraw/zinc/29/18/76/410291876.db2.gz OEBDJCUHHZGPAZ-UHFFFAOYSA-N 1 0 305.334 1.595 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1CCC[N@H+](C)[C@@H]1C ZINC000343444153 410459259 /nfs/dbraw/zinc/45/92/59/410459259.db2.gz BACASZCRRBFRGP-PWSUYJOCSA-N 1 0 309.370 1.089 20 5 DDBDRO Cc1nn(CCC(=O)N[C@@H]2CCC[N@H+](C)[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000343459881 410471359 /nfs/dbraw/zinc/47/13/59/410471359.db2.gz WTJNRUXNCSIALK-DGCLKSJQSA-N 1 0 323.397 1.397 20 5 DDBDRO COc1cc(C(=O)N[C@H]2CCC[N@H+](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000343462143 410471687 /nfs/dbraw/zinc/47/16/87/410471687.db2.gz SVSKYJSTVGPQLM-PWSUYJOCSA-N 1 0 307.350 1.816 20 5 DDBDRO C[C@]12CCC[N@@H+]1C[C@@H](c1noc(-c3cc([N+](=O)[O-])c[nH]3)n1)OC2 ZINC000347332783 410478675 /nfs/dbraw/zinc/47/86/75/410478675.db2.gz IGYRQWBFOHNGPN-SMDDNHRTSA-N 1 0 319.321 1.899 20 5 DDBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC[NH+](C[C@@H](C)O)CC1 ZINC000347364615 410499877 /nfs/dbraw/zinc/49/98/77/410499877.db2.gz BWSPQGYBANTEDV-YVGNARHYSA-N 1 0 319.405 1.997 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[N@H+](C)[C@@H]2C)c1 ZINC000343511887 410502957 /nfs/dbraw/zinc/50/29/57/410502957.db2.gz JGHXPOMPNDTBTQ-ZWNOBZJWSA-N 1 0 307.350 1.816 20 5 DDBDRO CNC(=O)c1ccc(N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c([N+](=O)[O-])c1 ZINC000299101131 410521641 /nfs/dbraw/zinc/52/16/41/410521641.db2.gz ZPXWNKGSSDBAKB-KBPBESRZSA-N 1 0 318.377 1.993 20 5 DDBDRO CC[N@H+](C)CCNS(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000299653694 410601420 /nfs/dbraw/zinc/60/14/20/410601420.db2.gz TZZZJDXHZLSLBH-UHFFFAOYSA-N 1 0 315.395 1.442 20 5 DDBDRO COC(=O)COc1ccc(C[N@H+](C)CC2CC2)cc1[N+](=O)[O-] ZINC000355603343 410603740 /nfs/dbraw/zinc/60/37/40/410603740.db2.gz XQRWPYRAHKESBU-UHFFFAOYSA-N 1 0 308.334 1.988 20 5 DDBDRO NC(=O)[C@H]1CCC[N@H+](CCCNc2ccccc2[N+](=O)[O-])C1 ZINC000301150818 410667152 /nfs/dbraw/zinc/66/71/52/410667152.db2.gz MWZFBDRWHZCUPS-LBPRGKRZSA-N 1 0 306.366 1.594 20 5 DDBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1C[C@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000352988837 410719472 /nfs/dbraw/zinc/71/94/72/410719472.db2.gz PKLCPKDDVYVZOE-MPKXVKKWSA-N 1 0 310.375 1.775 20 5 DDBDRO CC[N@H+](C)C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC)C1 ZINC000301539796 410742422 /nfs/dbraw/zinc/74/24/22/410742422.db2.gz NOGWPNLHSPYBIG-GFCCVEGCSA-N 1 0 320.393 1.732 20 5 DDBDRO COc1cc(CN2CC[N@H+](C[C@H](C)O)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000337375113 410745445 /nfs/dbraw/zinc/74/54/45/410745445.db2.gz ZVPPBUKJRAWFPF-STQMWFEESA-N 1 0 323.393 1.490 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC[C@@H]2Cc2ccccc2)c1 ZINC000353040146 410751873 /nfs/dbraw/zinc/75/18/73/410751873.db2.gz NIBAZDMKTGMDLQ-ZBFHGGJFSA-N 1 0 316.361 1.469 20 5 DDBDRO CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000353152361 410814978 /nfs/dbraw/zinc/81/49/78/410814978.db2.gz PPGZBKGVKMIZEU-UONOGXRCSA-N 1 0 306.366 1.511 20 5 DDBDRO CC(C)[NH+](CCN(C)C(=O)Cn1ccc([N+](=O)[O-])n1)C(C)C ZINC000356176412 410879450 /nfs/dbraw/zinc/87/94/50/410879450.db2.gz KVXSYBLJFZMWIL-UHFFFAOYSA-N 1 0 311.386 1.369 20 5 DDBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000359809571 410894995 /nfs/dbraw/zinc/89/49/95/410894995.db2.gz QLVCZUSGVSTSNL-JTQLQIEISA-N 1 0 309.370 1.422 20 5 DDBDRO C[N@H+](Cc1ccccc1)C1CN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000353351825 410934232 /nfs/dbraw/zinc/93/42/32/410934232.db2.gz NPWGYNHMXZYNTH-UHFFFAOYSA-N 1 0 314.345 1.879 20 5 DDBDRO C[NH+](C)[C@@H]1CCN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000331098619 410943922 /nfs/dbraw/zinc/94/39/22/410943922.db2.gz BUOCLCVFXNKHPT-SECBINFHSA-N 1 0 313.304 1.578 20 5 DDBDRO C[C@H](CO)[C@H](C)[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000295769892 225215820 /nfs/dbraw/zinc/21/58/20/225215820.db2.gz PUCZKQHHYOAYLL-MNOVXSKESA-N 1 0 307.350 1.090 20 5 DDBDRO C[C@H](NC(=O)N[C@H](CC[NH3+])C(F)F)c1cccc([N+](=O)[O-])c1 ZINC000417144821 225223201 /nfs/dbraw/zinc/22/32/01/225223201.db2.gz WKKMHKACXIPZIJ-GZMMTYOYSA-N 1 0 316.308 1.938 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@H]1CCC[NH2+]1 ZINC000417195317 225240188 /nfs/dbraw/zinc/24/01/88/225240188.db2.gz NZLPJJLSJZMSGK-LLVKDONJSA-N 1 0 308.338 1.155 20 5 DDBDRO C[C@@H]1CN(C(=O)NCCc2cccc([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000417950587 225520036 /nfs/dbraw/zinc/52/00/36/225520036.db2.gz WKLUUHDIGIZTQV-BXUZGUMPSA-N 1 0 306.366 1.516 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000420348868 226470955 /nfs/dbraw/zinc/47/09/55/226470955.db2.gz NCBHHJCWYREKBR-BETUJISGSA-N 1 0 318.377 1.668 20 5 DDBDRO O=[N+]([O-])c1cccc(S(=O)(=O)NCCC[C@H]2CCC[NH2+]2)c1 ZINC000420455210 226500747 /nfs/dbraw/zinc/50/07/47/226500747.db2.gz ZDFKQMVSJWCDJX-LLVKDONJSA-N 1 0 313.379 1.405 20 5 DDBDRO CC1(C)CC(Nc2nccc(C(N)=O)c2[N+](=O)[O-])CC(C)(C)[NH2+]1 ZINC000290434763 221651203 /nfs/dbraw/zinc/65/12/03/221651203.db2.gz BEECMXYMJCAHJJ-UHFFFAOYSA-N 1 0 321.381 1.810 20 5 DDBDRO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000366199895 418442406 /nfs/dbraw/zinc/44/24/06/418442406.db2.gz XFPFSTZVZUGDHS-OAHLLOKOSA-N 1 0 319.361 1.578 20 5 DDBDRO CC[C@@H]1CN(CCn2cc([N+](=O)[O-])cn2)C[C@]2(CCOC2)O1 ZINC000373805510 418461905 /nfs/dbraw/zinc/46/19/05/418461905.db2.gz ODQZJDFEPCJMAA-KGLIPLIRSA-N 1 0 310.354 1.061 20 5 DDBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@]2(CC[NH2+]C2)C1 ZINC000360565542 418465697 /nfs/dbraw/zinc/46/56/97/418465697.db2.gz VDSHMGHUJADGAH-WBMJQRKESA-N 1 0 318.377 1.607 20 5 DDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000192666817 418525453 /nfs/dbraw/zinc/52/54/53/418525453.db2.gz ASCCOTNTUORFTG-CYBMUJFWSA-N 1 0 323.397 1.278 20 5 DDBDRO O=[N+]([O-])c1ccc(F)cc1CN1CCN([C@H]2CCOC2)CC1 ZINC000366953777 418542416 /nfs/dbraw/zinc/54/24/16/418542416.db2.gz GTUHCMIFSDNHGS-AWEZNQCLSA-N 1 0 309.341 1.640 20 5 DDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)CC[NH+](C)C ZINC000290894871 222001988 /nfs/dbraw/zinc/00/19/88/222001988.db2.gz VCURIEXIYYYHHO-UHFFFAOYSA-N 1 0 322.365 1.116 20 5 DDBDRO C[C@@H](O)C[NH+]1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000189369283 222044114 /nfs/dbraw/zinc/04/41/14/222044114.db2.gz MEZVHMZQMZLENX-LLVKDONJSA-N 1 0 313.785 1.747 20 5 DDBDRO Cn1cc(N2CC[C@@H]([NH2+]Cc3ccccc3[N+](=O)[O-])C2)cn1 ZINC000367702507 418621873 /nfs/dbraw/zinc/62/18/73/418621873.db2.gz WLFBMAZJWUSNTC-CYBMUJFWSA-N 1 0 301.350 1.697 20 5 DDBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@H]1C[C@H]1[N+](=O)[O-] ZINC000368133901 418694249 /nfs/dbraw/zinc/69/42/49/418694249.db2.gz IDLDZDDNNXPULU-UQOMUDLDSA-N 1 0 303.362 1.288 20 5 DDBDRO C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@@]1(C)C[NH3+] ZINC000385778575 418737163 /nfs/dbraw/zinc/73/71/63/418737163.db2.gz YOYCXAXWELPOTQ-ZWNOBZJWSA-N 1 0 313.379 1.200 20 5 DDBDRO CC(C)(C)[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000411372044 418897950 /nfs/dbraw/zinc/89/79/50/418897950.db2.gz ZQDSTEGFEQMMQM-CYBMUJFWSA-N 1 0 322.365 1.413 20 5 DDBDRO C[NH2+]C[C@H]1CCCN1C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000417929369 419393673 /nfs/dbraw/zinc/39/36/73/419393673.db2.gz AAPTZDYPYOCBLI-CQSZACIVSA-N 1 0 306.366 1.531 20 5 DDBDRO C[C@H]1CN(C(=O)NCCc2cccc([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000417950588 419414781 /nfs/dbraw/zinc/41/47/81/419414781.db2.gz WKLUUHDIGIZTQV-FZMZJTMJSA-N 1 0 306.366 1.516 20 5 DDBDRO C[C@H]1[C@@H](CO)CC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411656131 419372653 /nfs/dbraw/zinc/37/26/53/419372653.db2.gz PJPSQIHSGCPQHB-NWDGAFQWSA-N 1 0 307.350 1.626 20 5 DDBDRO Cc1c(CNC(=O)N[C@H]2C[NH2+]CC[C@H]2C)cccc1[N+](=O)[O-] ZINC000418084549 419520009 /nfs/dbraw/zinc/52/00/09/419520009.db2.gz VPDYWKDICYTDAJ-MFKMUULPSA-N 1 0 306.366 1.700 20 5 DDBDRO CC(C)[C@H]([NH3+])CNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000418083311 419521094 /nfs/dbraw/zinc/52/10/94/419521094.db2.gz LHKOZKPSLYROTF-SNVBAGLBSA-N 1 0 320.353 1.254 20 5 DDBDRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1Cc1ccc([N+](=O)[O-])cc1F ZINC000418118627 419547668 /nfs/dbraw/zinc/54/76/68/419547668.db2.gz TVCCGWBNOQIJHB-NWDGAFQWSA-N 1 0 311.357 1.621 20 5 DDBDRO Cc1c(CNC(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)cccc1[N+](=O)[O-] ZINC000418078422 419514000 /nfs/dbraw/zinc/51/40/00/419514000.db2.gz JHEWAKQMUWFDQN-YPMHNXCESA-N 1 0 306.366 1.782 20 5 DDBDRO C[C@@H]1[C@@H](CO)CCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000412061857 419611472 /nfs/dbraw/zinc/61/14/72/419611472.db2.gz AKLXPLBKYVCOIC-MCIONIFRSA-N 1 0 324.377 1.427 20 5 DDBDRO CN(C(=O)CN1CC[C@H]2[NH2+]CC[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000428036271 228695125 /nfs/dbraw/zinc/69/51/25/228695125.db2.gz GWZBKVACERVMPD-SWLSCSKDSA-N 1 0 318.377 1.241 20 5 DDBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000421706855 419691710 /nfs/dbraw/zinc/69/17/10/419691710.db2.gz VYWZMLRPSXHEID-CYBMUJFWSA-N 1 0 320.393 1.949 20 5 DDBDRO CC[C@@H](O)C[NH2+]Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000422123307 419850465 /nfs/dbraw/zinc/85/04/65/419850465.db2.gz RLAXHZHVHZQPJI-LLVKDONJSA-N 1 0 312.322 1.007 20 5 DDBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H]1C[NH2+]CC[C@H]1C ZINC000414932425 419879356 /nfs/dbraw/zinc/87/93/56/419879356.db2.gz RBXQHEKUBICHDF-JMSVASOKSA-N 1 0 320.393 1.900 20 5 DDBDRO O=C(NCC1C[NH2+]C1)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000414945171 419888062 /nfs/dbraw/zinc/88/80/62/419888062.db2.gz HZMRWIMQFJHBHK-UHFFFAOYSA-N 1 0 316.264 1.537 20 5 DDBDRO Cc1cc(OCC(=O)N[C@H]2CC[N@@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000431832376 229061455 /nfs/dbraw/zinc/06/14/55/229061455.db2.gz GASWBTRWRKLIQC-LBPRGKRZSA-N 1 0 319.361 1.635 20 5 DDBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CNCCN1C ZINC000414981205 419903720 /nfs/dbraw/zinc/90/37/20/419903720.db2.gz XKFSDMNBLANJGQ-ZFWWWQNUSA-N 1 0 306.410 1.409 20 5 DDBDRO CN(C(=O)CN(C1CC1)[C@@H]1CC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000435246190 229367302 /nfs/dbraw/zinc/36/73/02/229367302.db2.gz GAWGLGMWQIORRH-OAHLLOKOSA-N 1 0 318.377 1.384 20 5 DDBDRO Cc1c(NC(=O)C(=O)N2C[C@H](C[NH3+])C[C@H]2C)cccc1[N+](=O)[O-] ZINC000415526482 420099519 /nfs/dbraw/zinc/09/95/19/420099519.db2.gz QDEMZFJMSGLANN-KOLCDFICSA-N 1 0 320.349 1.037 20 5 DDBDRO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000415627289 420128294 /nfs/dbraw/zinc/12/82/94/420128294.db2.gz BBHCPWCOCCOMSA-NOZJJQNGSA-N 1 0 308.313 1.950 20 5 DDBDRO COc1cccc(C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)c1[N+](=O)[O-] ZINC000423697939 420130879 /nfs/dbraw/zinc/13/08/79/420130879.db2.gz OBBLJJOQYRDXCY-JQWIXIFHSA-N 1 0 305.334 1.427 20 5 DDBDRO COc1cccc(C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1[N+](=O)[O-] ZINC000423530162 420073116 /nfs/dbraw/zinc/07/31/16/420073116.db2.gz WNOLXHFYULTVGA-WCFLWFBJSA-N 1 0 319.361 1.803 20 5 DDBDRO COc1ccc(NC(=O)COC2CCC([NH3+])CC2)cc1[N+](=O)[O-] ZINC000423720526 420141187 /nfs/dbraw/zinc/14/11/87/420141187.db2.gz HLERPUOCSDBEEY-UHFFFAOYSA-N 1 0 323.349 1.828 20 5 DDBDRO COc1cc(C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc([N+](=O)[O-])c1C ZINC000423531690 420074490 /nfs/dbraw/zinc/07/44/90/420074490.db2.gz TWHISUNRKXCRSD-UHTWSYAYSA-N 1 0 319.361 1.721 20 5 DDBDRO COc1ccc(NC(=O)CCN(C)[C@@H](C)C[NH3+])c([N+](=O)[O-])c1 ZINC000420293663 420187498 /nfs/dbraw/zinc/18/74/98/420187498.db2.gz ROGZOCVIYXAGRO-JTQLQIEISA-N 1 0 310.354 1.211 20 5 DDBDRO Cc1ccc(NC(=O)C(=O)NCCC[NH2+]C2CC2)cc1[N+](=O)[O-] ZINC000415861614 420201642 /nfs/dbraw/zinc/20/16/42/420201642.db2.gz QYTKIXPZVSLRBO-UHFFFAOYSA-N 1 0 320.349 1.100 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)[C@H](C)C[NH3+] ZINC000430929559 420211322 /nfs/dbraw/zinc/21/13/22/420211322.db2.gz PEHPXTFTACBPTN-SNVBAGLBSA-N 1 0 310.354 1.211 20 5 DDBDRO CO[C@@H](C[NH3+])CC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000423857725 420230177 /nfs/dbraw/zinc/23/01/77/420230177.db2.gz YZBMPBRZKLKWCT-SNVBAGLBSA-N 1 0 301.730 1.228 20 5 DDBDRO C[C@H](C(=O)NCCn1cc([N+](=O)[O-])cn1)[C@@H]([NH3+])c1ccccc1 ZINC000423891763 420248022 /nfs/dbraw/zinc/24/80/22/420248022.db2.gz BUURMTVJKPAEPY-SMDDNHRTSA-N 1 0 317.349 1.244 20 5 DDBDRO CN(C(=O)c1nn(C)cc1[N+](=O)[O-])C(C)(C)C[NH+]1CCCC1 ZINC000416104948 420248254 /nfs/dbraw/zinc/24/82/54/420248254.db2.gz KHNVNWIADYFTGN-UHFFFAOYSA-N 1 0 309.370 1.275 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](C)CCC[NH3+])c1C ZINC000420442168 420289947 /nfs/dbraw/zinc/28/99/47/420289947.db2.gz PNSZETDMRDICEI-JTQLQIEISA-N 1 0 315.395 1.617 20 5 DDBDRO O=C(C[C@@H]1COCC[NH2+]1)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000423841257 420220848 /nfs/dbraw/zinc/22/08/48/420220848.db2.gz JMXNIHJMJGKEAW-SNVBAGLBSA-N 1 0 313.741 1.243 20 5 DDBDRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1Cc1ccccc1[N+](=O)[O-] ZINC000436068835 420306344 /nfs/dbraw/zinc/30/63/44/420306344.db2.gz XDBQYXRFMHKDRI-AWEZNQCLSA-N 1 0 320.393 1.414 20 5 DDBDRO C[C@@H]1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)C[C@@H]1C[NH3+] ZINC000424016177 420307328 /nfs/dbraw/zinc/30/73/28/420307328.db2.gz NPDJSFJAUUBPDM-NEPJUHHUSA-N 1 0 307.350 1.417 20 5 DDBDRO C[NH+](C)C1(CNC(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000416289171 420308283 /nfs/dbraw/zinc/30/82/83/420308283.db2.gz IVBVKUJIAGRQDY-UHFFFAOYSA-N 1 0 306.366 1.607 20 5 DDBDRO C[C@@H]1CN(C(=O)COc2ccccc2[N+](=O)[O-])C[C@@]1(C)C[NH3+] ZINC000423998443 420300590 /nfs/dbraw/zinc/30/05/90/420300590.db2.gz ZOYXQNOYIPFONH-IAQYHMDHSA-N 1 0 307.350 1.417 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[NH2+][C@H](C)[C@H]1C ZINC000436059839 420303994 /nfs/dbraw/zinc/30/39/94/420303994.db2.gz LVTUKMPBCIIGQE-CHWSQXEVSA-N 1 0 320.393 1.914 20 5 DDBDRO CC[C@H]([NH3+])CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000420464655 420304336 /nfs/dbraw/zinc/30/43/36/420304336.db2.gz KENHRDCIVOURLL-ZETCQYMHSA-N 1 0 307.759 1.264 20 5 DDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC(C)(C)C[NH+](C)C ZINC000416506526 420400687 /nfs/dbraw/zinc/40/06/87/420400687.db2.gz GTTUNHJHTVXZON-UHFFFAOYSA-N 1 0 315.395 1.522 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCC[N@@H+]2CCC[C@H](C)C2)n1 ZINC000439102215 420479227 /nfs/dbraw/zinc/47/92/27/420479227.db2.gz SLOOTAAGRDMNBY-NSHDSACASA-N 1 0 322.365 1.920 20 5 DDBDRO CC[N@H+](CCO)CCNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000492592903 420600570 /nfs/dbraw/zinc/60/05/70/420600570.db2.gz JCDCBLURZXKSJR-YVMONPNESA-N 1 0 307.350 1.038 20 5 DDBDRO O=C(CC[NH2+]C1(CO)CCCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000441048345 420627637 /nfs/dbraw/zinc/62/76/37/420627637.db2.gz RJNIFHHNUKXRRI-UHFFFAOYSA-N 1 0 307.350 1.818 20 5 DDBDRO O=C(NC[C@H]1CCCC[N@H+]1CCO)Nc1cccc([N+](=O)[O-])c1 ZINC000454139319 420805781 /nfs/dbraw/zinc/80/57/81/420805781.db2.gz DQGFJQJNTNLXHH-CQSZACIVSA-N 1 0 322.365 1.563 20 5 DDBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@H](CO)[C@@H]1CCCO1 ZINC000447912097 420816858 /nfs/dbraw/zinc/81/68/58/420816858.db2.gz JJFCBEKHCUQREI-YPMHNXCESA-N 1 0 300.742 1.878 20 5 DDBDRO C[NH+](C)CCN(CC1CCCCC1)c1ncc([N+](=O)[O-])c(N)n1 ZINC000448127275 420838132 /nfs/dbraw/zinc/83/81/32/420838132.db2.gz GWBXAAUMCSYXBS-UHFFFAOYSA-N 1 0 322.413 1.915 20 5 DDBDRO Cn1nccc1[C@@H](CO)[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000459758232 420866621 /nfs/dbraw/zinc/86/66/21/420866621.db2.gz OWVUJOHNGWNTPW-CYBMUJFWSA-N 1 0 306.322 1.030 20 5 DDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1nnc2n1CCC2 ZINC000449073483 420945182 /nfs/dbraw/zinc/94/51/82/420945182.db2.gz NKKKZWKPKOSSJP-NSHDSACASA-N 1 0 301.350 1.853 20 5 DDBDRO O=C(COc1cccc([N+](=O)[O-])c1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000449667138 421053061 /nfs/dbraw/zinc/05/30/61/421053061.db2.gz UHQJOUVSBUWXKO-LLVKDONJSA-N 1 0 315.276 1.087 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000449714647 421066496 /nfs/dbraw/zinc/06/64/96/421066496.db2.gz COQBLNYLMOJMGQ-JTQLQIEISA-N 1 0 321.255 1.613 20 5 DDBDRO [NH3+]C[C@@H]1CC[C@H](NC(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000449719913 421067641 /nfs/dbraw/zinc/06/76/41/421067641.db2.gz RJSIFBYUTIWQCF-NEPJUHHUSA-N 1 0 306.366 1.640 20 5 DDBDRO C[C@@H]1CC[N@H+](CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000524790867 421272438 /nfs/dbraw/zinc/27/24/38/421272438.db2.gz WRLFAJGOGRHBOQ-LLVKDONJSA-N 1 0 313.379 1.215 20 5 DDBDRO O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1CC[C@H]1CC[NH2+]C1 ZINC000563528770 421516901 /nfs/dbraw/zinc/51/69/01/421516901.db2.gz FNWFEEFLMAYRCP-GFCCVEGCSA-N 1 0 314.345 1.818 20 5 DDBDRO COc1ccc(OCC[NH2+][C@H]2C[C@@H](O)C2(C)C)c([N+](=O)[O-])c1 ZINC000515495042 421506651 /nfs/dbraw/zinc/50/66/51/421506651.db2.gz CSSQZVSVGCQBIE-UONOGXRCSA-N 1 0 310.350 1.731 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[NH2+]C[C@@H](O)Cc2cccc(Cl)c2)c1 ZINC000564442250 421587195 /nfs/dbraw/zinc/58/71/95/421587195.db2.gz CRGOHOIUHSVBGJ-AWEZNQCLSA-N 1 0 324.768 1.638 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H]1C[C@@H](O)C1(C)C ZINC000516192087 421533114 /nfs/dbraw/zinc/53/31/14/421533114.db2.gz RMZLJOUIVNHWQJ-QWHCGFSZSA-N 1 0 323.349 1.291 20 5 DDBDRO COCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000516225689 421535067 /nfs/dbraw/zinc/53/50/67/421535067.db2.gz ATCQPMDXXIVKGQ-JSGCOSHPSA-N 1 0 321.377 1.535 20 5 DDBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])cn1C)[N@@H+]1CCC[C@H](C)C1 ZINC000518772205 421666473 /nfs/dbraw/zinc/66/64/73/421666473.db2.gz ZYNLXLMVKZXSSG-RYUDHWBXSA-N 1 0 308.382 1.784 20 5 DDBDRO CC[NH+]1C[C@@H](C)N(C(=O)c2ccnc(NC)c2[N+](=O)[O-])[C@H](C)C1 ZINC000566689353 421608003 /nfs/dbraw/zinc/60/80/03/421608003.db2.gz QYSZAEUKNIXCJL-GHMZBOCLSA-N 1 0 321.381 1.586 20 5 DDBDRO C[C@H]1CCC[N@H+](CCCCNC(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC000571118408 421690006 /nfs/dbraw/zinc/69/00/06/421690006.db2.gz NUUCVMQRZSRSHH-NSHDSACASA-N 1 0 309.370 1.560 20 5 DDBDRO COc1ccc(CC(=O)N2CC[N@H+](C)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000571223240 421698557 /nfs/dbraw/zinc/69/85/57/421698557.db2.gz BLAPEJBFKITMJD-UHFFFAOYSA-N 1 0 321.377 1.699 20 5 DDBDRO COc1ccc(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1F ZINC000571245185 421699673 /nfs/dbraw/zinc/69/96/73/421699673.db2.gz UZZNKUHMXLLSHS-GFCCVEGCSA-N 1 0 324.312 1.090 20 5 DDBDRO COc1ccc(CC(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)cc1[N+](=O)[O-] ZINC000571499081 421720046 /nfs/dbraw/zinc/72/00/46/421720046.db2.gz YZKKNRBNVDSAFZ-STQMWFEESA-N 1 0 319.361 1.214 20 5 DDBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])C1 ZINC000542652056 421826157 /nfs/dbraw/zinc/82/61/57/421826157.db2.gz UXGAFUVQZIOMTL-NSHDSACASA-N 1 0 323.397 1.903 20 5 DDBDRO C[C@@H](Cc1ccccc1F)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000559683094 421837160 /nfs/dbraw/zinc/83/71/60/421837160.db2.gz KWNGLCHEJVEOEH-SMDDNHRTSA-N 1 0 322.340 1.512 20 5 DDBDRO CC(C)([NH3+])c1noc(Cn2cc([N+](=O)[O-])cc(Cl)c2=O)n1 ZINC000581665276 422024491 /nfs/dbraw/zinc/02/44/91/422024491.db2.gz DVTHZNAWOFAUQS-UHFFFAOYSA-N 1 0 313.701 1.035 20 5 DDBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000574383969 422098954 /nfs/dbraw/zinc/09/89/54/422098954.db2.gz YETDZEQCOVXRMV-QWHCGFSZSA-N 1 0 304.350 1.346 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@@H](C[NH3+])C1 ZINC000574917396 422214519 /nfs/dbraw/zinc/21/45/19/422214519.db2.gz XCNLQXGXRQIFTQ-LBPRGKRZSA-N 1 0 306.366 1.512 20 5 DDBDRO CC(C)Oc1nc(N[C@@H](C)[C@@H]2CN(C)CCO2)ccc1[N+](=O)[O-] ZINC000594565848 422350149 /nfs/dbraw/zinc/35/01/49/422350149.db2.gz ISIVTQRRTQGGBC-AAEUAGOBSA-N 1 0 324.381 1.908 20 5 DDBDRO CCC[NH+]1CCC(CNc2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000589568989 422317927 /nfs/dbraw/zinc/31/79/27/422317927.db2.gz NMUGLBUWZHDAFQ-UHFFFAOYSA-N 1 0 318.381 2.171 20 5 DDBDRO COC(=O)c1ccnc(NCCC2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000598597338 422397728 /nfs/dbraw/zinc/39/77/28/422397728.db2.gz XFLAUWPBMCFZRL-UHFFFAOYSA-N 1 0 322.365 1.920 20 5 DDBDRO Nc1ccc(NC[C@@H]2CC[N@@H+]2C2CCCCC2)nc1[N+](=O)[O-] ZINC000599126993 422402605 /nfs/dbraw/zinc/40/26/05/422402605.db2.gz KUXAFLKRKZNFMN-LBPRGKRZSA-N 1 0 305.382 2.391 20 5 DDBDRO Cc1ccnc(NCCCN2CCC[N@@H+](C)CC2)c1[N+](=O)[O-] ZINC000609669781 422464559 /nfs/dbraw/zinc/46/45/59/422464559.db2.gz BEESEJDLDCNETP-UHFFFAOYSA-N 1 0 307.398 1.738 20 5 DDBDRO C[C@H](CNC(=O)Cn1cc([N+](=O)[O-])cn1)C[NH+]1CCCCC1 ZINC000193645774 263492974 /nfs/dbraw/zinc/49/29/74/263492974.db2.gz LWKRTLMJXNXDLX-GFCCVEGCSA-N 1 0 309.370 1.030 20 5 DDBDRO C[C@H]1[NH2+]CCC[C@H]1C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000342750477 271501421 /nfs/dbraw/zinc/50/14/21/271501421.db2.gz MEVKBQYNAZRZQV-BXUZGUMPSA-N 1 0 306.366 1.511 20 5 DDBDRO C[NH+](C)Cc1ccc(CNC(=O)c2ccc([N+](=O)[O-])[nH]2)cc1 ZINC000342927386 271572156 /nfs/dbraw/zinc/57/21/56/271572156.db2.gz QLKUKJNJKGFUEB-UHFFFAOYSA-N 1 0 302.334 1.915 20 5 DDBDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2cccc([N+](=O)[O-])c2N)C[C@H]1C ZINC000345962905 272377139 /nfs/dbraw/zinc/37/71/39/272377139.db2.gz PTDVYNBGDNIVOT-MNOVXSKESA-N 1 0 306.366 1.732 20 5 DDBDRO COc1cc(CN2C[C@@H](C)[NH2+][C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000347207130 272629223 /nfs/dbraw/zinc/62/92/23/272629223.db2.gz MJRGBXCTGOQPDK-GHMZBOCLSA-N 1 0 309.366 1.794 20 5 DDBDRO C[NH+](C)[C@@H]1CCCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000277173580 273807060 /nfs/dbraw/zinc/80/70/60/273807060.db2.gz MVIKUOJDLRARDK-GFCCVEGCSA-N 1 0 306.366 1.614 20 5 DDBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])c3ncccc23)CC[N@@H+]1CCO ZINC000413254912 274364287 /nfs/dbraw/zinc/36/42/87/274364287.db2.gz ZVSUSFHVUSGVAJ-GFCCVEGCSA-N 1 0 316.361 1.646 20 5 DDBDRO Cc1cccc(N2CC[NH+](CCC(=O)N(C)C)CC2)c1[N+](=O)[O-] ZINC000338679791 274793852 /nfs/dbraw/zinc/79/38/52/274793852.db2.gz FAYWZWRXFLBUAC-UHFFFAOYSA-N 1 0 320.393 1.504 20 5 DDBDRO O=[N+]([O-])c1cc2c(ncnc2N2CCC[N@@H+](CCO)CC2)s1 ZINC000287853726 275034079 /nfs/dbraw/zinc/03/40/79/275034079.db2.gz LSGQJTRJSUBEKF-UHFFFAOYSA-N 1 0 323.378 1.104 20 5 DDBDRO C[NH+](C)C[C@@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000268810119 276765077 /nfs/dbraw/zinc/76/50/77/276765077.db2.gz RAPYRJTZRAMIFW-LBPRGKRZSA-N 1 0 313.379 1.310 20 5 DDBDRO CN([C@H]1CC[NH2+]C1)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000178946609 277002232 /nfs/dbraw/zinc/00/22/32/277002232.db2.gz MJSVSHAWDJPPHW-QMMMGPOBSA-N 1 0 319.770 1.231 20 5 DDBDRO COc1ccc(NC(=O)NCC[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000415451576 277420278 /nfs/dbraw/zinc/42/02/78/277420278.db2.gz XMSWAILLROWUIT-SNVBAGLBSA-N 1 0 308.338 1.867 20 5 DDBDRO C[C@H]1[NH2+]CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[C@@H]1C ZINC000277500205 280050307 /nfs/dbraw/zinc/05/03/07/280050307.db2.gz PAAIEGIWZIAWKD-RKDXNWHRSA-N 1 0 308.294 1.325 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(N2CC[NH+](CC3CCOCC3)CC2)n1 ZINC000178233173 281012129 /nfs/dbraw/zinc/01/21/29/281012129.db2.gz QOKGJRNWVSQQDJ-UHFFFAOYSA-N 1 0 320.393 1.847 20 5 DDBDRO CN1CCN(CCCOc2ccc([N+](=O)[O-])cc2)C(C)(C)C1=O ZINC000129858481 281359764 /nfs/dbraw/zinc/35/97/64/281359764.db2.gz PSXWLAHKZBBEAT-UHFFFAOYSA-N 1 0 321.377 1.916 20 5 DDBDRO NC(=O)[C@@H]1CCCC[C@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000130924582 281398819 /nfs/dbraw/zinc/39/88/19/281398819.db2.gz XBMFHWUFSCGBHQ-ZIAGYGMSSA-N 1 0 307.350 1.607 20 5 DDBDRO [NH3+][C@@H]1CCC[C@@H]1C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000246288696 281970532 /nfs/dbraw/zinc/97/05/32/281970532.db2.gz NBEGRLZQGIMDFQ-WCFLWFBJSA-N 1 0 319.365 1.130 20 5 DDBDRO C[C@H](c1ccccc1F)[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000246725786 282010418 /nfs/dbraw/zinc/01/04/18/282010418.db2.gz MHADJYQXKOJFQJ-DGCLKSJQSA-N 1 0 322.340 1.984 20 5 DDBDRO Cc1nn(C)c(C(=O)N2CCC[C@H]2C[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000263783305 293697934 /nfs/dbraw/zinc/69/79/34/293697934.db2.gz HGEOLLYQZYOTCD-LBPRGKRZSA-N 1 0 321.381 1.337 20 5 DDBDRO Nc1c(C(=O)N2CCCC[C@H]2[C@H]2CC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000423955983 295345054 /nfs/dbraw/zinc/34/50/54/295345054.db2.gz AAZFLAAMYSQRKW-AAEUAGOBSA-N 1 0 318.377 1.781 20 5 DDBDRO O=C(N1CCc2ncc([N+](=O)[O-])cc2C1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000423827033 295584464 /nfs/dbraw/zinc/58/44/64/295584464.db2.gz NEQREBJRPFSPHS-MLGOLLRUSA-N 1 0 316.361 1.264 20 5 DDBDRO Cc1nc(N2CC[C@H](C3CC[NH+](C)CC3)C2)ncc1[N+](=O)[O-] ZINC000573416012 304593202 /nfs/dbraw/zinc/59/32/02/304593202.db2.gz QWJLWMBFPUKZSK-ZDUSSCGKSA-N 1 0 305.382 1.861 20 5 DDBDRO CCOC(=O)c1coc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)c1 ZINC000354419860 298432983 /nfs/dbraw/zinc/43/29/83/298432983.db2.gz QZYPJHKGZYIVHM-UHFFFAOYSA-N 1 0 308.294 1.351 20 5 DDBDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000357933504 299024849 /nfs/dbraw/zinc/02/48/49/299024849.db2.gz JFCQDHXWHVBZKG-GFCCVEGCSA-N 1 0 323.397 1.569 20 5 DDBDRO C[NH+]1CCC(Oc2cc(NC(=O)[C@H]3CC3[N+](=O)[O-])ccn2)CC1 ZINC000364174337 300353550 /nfs/dbraw/zinc/35/35/50/300353550.db2.gz UXVIKTFDKCUKBA-QWHCGFSZSA-N 1 0 320.349 1.158 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N[C@@H]1CCC[NH2+]CC1 ZINC000364186285 300354593 /nfs/dbraw/zinc/35/45/93/300354593.db2.gz YGSRFRHNFVZANW-SNVBAGLBSA-N 1 0 311.313 1.371 20 5 DDBDRO CC(C)(O)C[N@@H+]1CCCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000364272391 300366520 /nfs/dbraw/zinc/36/65/20/300366520.db2.gz UYYHJIVZLAAHBZ-UHFFFAOYSA-N 1 0 307.394 1.873 20 5 DDBDRO Nc1c(C(=O)N2CCC3(C2)CC[NH2+]CC3)cc(F)cc1[N+](=O)[O-] ZINC000364312048 300373874 /nfs/dbraw/zinc/37/38/74/300373874.db2.gz YQFOQRJMVMUINL-UHFFFAOYSA-N 1 0 322.340 1.532 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCO[C@@H]1C1CC1 ZINC000365340749 300500705 /nfs/dbraw/zinc/50/07/05/300500705.db2.gz BZKBEVUTNJOURW-XJKCOSOUSA-N 1 0 322.361 1.492 20 5 DDBDRO O=C(COc1cccc([N+](=O)[O-])c1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000365364242 300501950 /nfs/dbraw/zinc/50/19/50/300501950.db2.gz XPDXTUUKYSASDB-RISCZKNCSA-N 1 0 305.334 1.184 20 5 DDBDRO Cc1ccc(NCCCNC(=O)CC[NH2+]C2CC2)c([N+](=O)[O-])c1 ZINC000574704062 304677265 /nfs/dbraw/zinc/67/72/65/304677265.db2.gz TUFZKQZTIDFMJV-UHFFFAOYSA-N 1 0 320.393 1.964 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000368349416 301008280 /nfs/dbraw/zinc/00/82/80/301008280.db2.gz RPMWBJHMAZTQPZ-OAHLLOKOSA-N 1 0 304.350 1.466 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000368925810 301106684 /nfs/dbraw/zinc/10/66/84/301106684.db2.gz LXFRYONGVBKFMC-CYBMUJFWSA-N 1 0 321.381 1.187 20 5 DDBDRO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@](O)(C3CC3)C2)c2c(c1)COCO2 ZINC000370084983 301273224 /nfs/dbraw/zinc/27/32/24/301273224.db2.gz QNLUVWAHOREORB-INIZCTEOSA-N 1 0 320.345 1.808 20 5 DDBDRO Cc1nc(N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)ccc1[N+](=O)[O-] ZINC000370531118 301357954 /nfs/dbraw/zinc/35/79/54/301357954.db2.gz LTLVIPTULPZNOD-KGLIPLIRSA-N 1 0 306.366 1.334 20 5 DDBDRO O=C(NC[C@@H]1CCC[C@@H]1[NH+]1CCOCC1)c1ccc([N+](=O)[O-])o1 ZINC000370759173 301386526 /nfs/dbraw/zinc/38/65/26/301386526.db2.gz MGZRZMIQMHCJHH-RYUDHWBXSA-N 1 0 323.349 1.419 20 5 DDBDRO Cc1ccc(C)c(S(=O)(=O)N2C[C@@H](C)[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000440845350 301554255 /nfs/dbraw/zinc/55/42/55/301554255.db2.gz KBTGEFIAWMJXAM-GHMZBOCLSA-N 1 0 313.379 1.179 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+]C1(C2CC2)CCOCC1 ZINC000375707686 301982944 /nfs/dbraw/zinc/98/29/44/301982944.db2.gz YDJVWDFUCJTNFQ-UHFFFAOYSA-N 1 0 307.350 1.305 20 5 DDBDRO Cc1cc(NC[C@H]2CNC(=O)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000398274434 302358022 /nfs/dbraw/zinc/35/80/22/302358022.db2.gz ADDMAMGNOHNCNS-JTQLQIEISA-N 1 0 300.318 1.421 20 5 DDBDRO O=[N+]([O-])c1cccnc1N1CC[NH+](C[C@@H]2CCCC[C@@H]2O)CC1 ZINC000517376151 302812257 /nfs/dbraw/zinc/81/22/57/302812257.db2.gz JAOKSGDUEQFAAW-ZFWWWQNUSA-N 1 0 320.393 1.663 20 5 DDBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532140706 303276564 /nfs/dbraw/zinc/27/65/64/303276564.db2.gz RZPWBCMYSSKWNN-NWDGAFQWSA-N 1 0 306.366 1.840 20 5 DDBDRO COc1ccc(CC(=O)N2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000534338943 303331937 /nfs/dbraw/zinc/33/19/37/303331937.db2.gz GVUNNXQILANMBS-NEPJUHHUSA-N 1 0 321.377 1.697 20 5 DDBDRO C[C@H]1C[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@H]1CO ZINC000362075627 307013039 /nfs/dbraw/zinc/01/30/39/307013039.db2.gz ISMIGBUSOBAZOO-AAEUAGOBSA-N 1 0 319.361 1.044 20 5 DDBDRO CC1CCC([NH+]2CCC(NC(=O)[C@H]3C[C@@H]3[N+](=O)[O-])CC2)CC1 ZINC000363673368 307032916 /nfs/dbraw/zinc/03/29/16/307032916.db2.gz CBDKHKHILKBMRE-MOQPVCNJSA-N 1 0 309.410 1.811 20 5 DDBDRO O=[N+]([O-])c1ccc(CCN2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1 ZINC000363733871 307034434 /nfs/dbraw/zinc/03/44/34/307034434.db2.gz UIEPAPWYMWVXIT-IAGOWNOFSA-N 1 0 319.405 1.668 20 5 DDBDRO CN(C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)[C@H]1CCC[NH2+]CC1 ZINC000364643457 307049325 /nfs/dbraw/zinc/04/93/25/307049325.db2.gz VWMWPULNOURMIP-JTQLQIEISA-N 1 0 317.349 1.685 20 5 DDBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000364800929 307051505 /nfs/dbraw/zinc/05/15/05/307051505.db2.gz VAQDHQJEYFUBOG-JSGCOSHPSA-N 1 0 318.377 1.607 20 5 DDBDRO O=C1OCCC12CC[NH+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC2 ZINC000366657588 307078899 /nfs/dbraw/zinc/07/88/99/307078899.db2.gz VOKIUMABOGXXJR-CQSZACIVSA-N 1 0 320.345 1.657 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000367142502 307087041 /nfs/dbraw/zinc/08/70/41/307087041.db2.gz XKUSYUFGUVJORP-OLZOCXBDSA-N 1 0 307.350 1.115 20 5 DDBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000368532933 307104587 /nfs/dbraw/zinc/10/45/87/307104587.db2.gz RNWZKSJSNFMRTF-ZIAGYGMSSA-N 1 0 306.366 1.334 20 5 DDBDRO Cc1ccc(CN2CCC[C@@]3(CNC(=O)O3)C2)cc1[N+](=O)[O-] ZINC000372747321 307174606 /nfs/dbraw/zinc/17/46/06/307174606.db2.gz XVKUTRLIRWYKEN-OAHLLOKOSA-N 1 0 305.334 1.978 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@H]2CCCC[C@@H]2N2CCOCC2)n1 ZINC000373115928 307179382 /nfs/dbraw/zinc/17/93/82/307179382.db2.gz PQROPSKTTCWIIV-KBPBESRZSA-N 1 0 323.397 1.024 20 5 DDBDRO CC[NH2+]CCCNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000515645461 307407835 /nfs/dbraw/zinc/40/78/35/307407835.db2.gz CIYXTGJRSLGIRH-UHFFFAOYSA-N 1 0 309.322 1.095 20 5 DDBDRO CCCc1n[nH]c(C(=O)NCC2CC[NH+](CC)CC2)c1[N+](=O)[O-] ZINC000562875055 307946677 /nfs/dbraw/zinc/94/66/77/307946677.db2.gz WPMVVLFQVAPFOY-UHFFFAOYSA-N 1 0 323.397 1.732 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CC1(CO)CCCC1 ZINC000563139252 307957619 /nfs/dbraw/zinc/95/76/19/307957619.db2.gz XDJQEHRKXKKOHD-CYBMUJFWSA-N 1 0 324.377 1.477 20 5 DDBDRO Cc1noc(CC[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])n1 ZINC000564849014 308008443 /nfs/dbraw/zinc/00/84/43/308008443.db2.gz PKOZIUMOBDZBKQ-UHFFFAOYSA-N 1 0 319.321 1.447 20 5 DDBDRO Cc1c(NC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+])cccc1[N+](=O)[O-] ZINC000566227940 308050042 /nfs/dbraw/zinc/05/00/42/308050042.db2.gz QVWVMMOUOOOTQP-IUCAKERBSA-N 1 0 308.338 1.084 20 5 DDBDRO CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000567302117 308077394 /nfs/dbraw/zinc/07/73/94/308077394.db2.gz CMERLAUOJYZDDP-LLVKDONJSA-N 1 0 309.370 1.573 20 5 DDBDRO C[N@@H+]1CC[C@@](O)(CNc2nc3c(cc2[N+](=O)[O-])CCCC3)C1 ZINC000567607892 308086623 /nfs/dbraw/zinc/08/66/23/308086623.db2.gz IHXIBKHIUSHURJ-OAHLLOKOSA-N 1 0 306.366 1.347 20 5 DDBDRO CCc1noc(CC)c1C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000567684638 308089841 /nfs/dbraw/zinc/08/98/41/308089841.db2.gz NDHBTNYPCZFNKW-NSHDSACASA-N 1 0 323.353 1.055 20 5 DDBDRO O=C(CC[NH2+][C@@H]1CCCC[C@H]1O)Nc1ccccc1[N+](=O)[O-] ZINC000573723952 308251126 /nfs/dbraw/zinc/25/11/26/308251126.db2.gz HZWGXMZHBLMEHN-TZMCWYRMSA-N 1 0 307.350 1.817 20 5 DDBDRO C[C@H](C[C@H](C)[NH3+])NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000576942769 308351305 /nfs/dbraw/zinc/35/13/05/308351305.db2.gz JIEQYUYTGWGZOA-WDEREUQCSA-N 1 0 315.395 1.183 20 5 DDBDRO Nc1c(C(=O)N2CCC3(CC[NH2+]3)CC2)cc(F)cc1[N+](=O)[O-] ZINC000577849024 308418474 /nfs/dbraw/zinc/41/84/74/308418474.db2.gz SDGVQEIAGWPEBR-UHFFFAOYSA-N 1 0 308.313 1.284 20 5 DDBDRO CC[NH+]1CCC(CNc2cccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000578536209 308469680 /nfs/dbraw/zinc/46/96/80/308469680.db2.gz YTTSUGVIDYFAOI-UHFFFAOYSA-N 1 0 306.366 1.838 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@@H]1CCC[C@@H](O)C1 ZINC000578892428 308493282 /nfs/dbraw/zinc/49/32/82/308493282.db2.gz VDAXYXWGFPQSKM-MGPQQGTHSA-N 1 0 324.377 1.475 20 5 DDBDRO O=C(C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)NC1CCCCC1 ZINC001120658826 782078452 /nfs/dbraw/zinc/07/84/52/782078452.db2.gz VCPBQZKPZXNYAR-OAHLLOKOSA-N 1 0 321.377 1.667 20 5 DDBDRO CO[C@@](C)(C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000581544305 325871775 /nfs/dbraw/zinc/87/17/75/325871775.db2.gz XGGMFTWVZUWOJW-BBRMVZONSA-N 1 0 324.377 1.739 20 5 DDBDRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000583370912 332366515 /nfs/dbraw/zinc/36/65/15/332366515.db2.gz GSHVLXZLUAFJBE-BXUZGUMPSA-N 1 0 322.365 1.271 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000582661741 337117384 /nfs/dbraw/zinc/11/73/84/337117384.db2.gz XXOMUSWVUFJNFN-INIZCTEOSA-N 1 0 319.361 1.576 20 5 DDBDRO C[C@@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1C[NH3+] ZINC000070177397 500894904 /nfs/dbraw/zinc/89/49/04/500894904.db2.gz JBBCRFAJZKKPPQ-ZWNOBZJWSA-N 1 0 313.379 1.343 20 5 DDBDRO COC(=O)c1cc(C)nc(NC(C)(C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000413353162 533769669 /nfs/dbraw/zinc/76/96/69/533769669.db2.gz DUKCIFPUZICLIA-UHFFFAOYSA-N 1 0 310.354 1.837 20 5 DDBDRO Cc1c(C(=O)NC[C@H](C)[NH+](C)C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000299479212 533793519 /nfs/dbraw/zinc/79/35/19/533793519.db2.gz DWWCQAVWYNBCQB-QMMMGPOBSA-N 1 0 324.337 1.800 20 5 DDBDRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000419338959 533949230 /nfs/dbraw/zinc/94/92/30/533949230.db2.gz ZPGZCUBKBBVYRX-RYUDHWBXSA-N 1 0 311.357 1.621 20 5 DDBDRO C[C@@H]1OCC[C@]1(C)[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000494204870 534205357 /nfs/dbraw/zinc/20/53/57/534205357.db2.gz MKRLRWMSHVIMRZ-ZBEGNZNMSA-N 1 0 319.361 1.641 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@H](C[NH+](C)C)C2)c1 ZINC000302068105 534244479 /nfs/dbraw/zinc/24/44/79/534244479.db2.gz DHANYZBBIPOPSB-LLVKDONJSA-N 1 0 307.350 1.769 20 5 DDBDRO C[C@@H]([N@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1)C(C)(C)O ZINC000451357595 534284928 /nfs/dbraw/zinc/28/49/28/534284928.db2.gz DPHARPFYCGAPOD-YPMHNXCESA-N 1 0 312.366 1.426 20 5 DDBDRO Cc1nc(N(C)CC2CC[NH+](C[C@H](C)O)CC2)ccc1[N+](=O)[O-] ZINC000301629397 534437318 /nfs/dbraw/zinc/43/73/18/534437318.db2.gz ILSILDWESGNFQN-LBPRGKRZSA-N 1 0 322.409 1.827 20 5 DDBDRO [NH3+]C1(c2noc(CCn3cc([N+](=O)[O-])cn3)n2)CCCCC1 ZINC000424340385 534553359 /nfs/dbraw/zinc/55/33/59/534553359.db2.gz GSQXVGQFFWURSO-UHFFFAOYSA-N 1 0 306.326 1.535 20 5 DDBDRO [NH3+]CCNC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000418296239 534631204 /nfs/dbraw/zinc/63/12/04/534631204.db2.gz LPRKSWJEFVSEOX-UHFFFAOYSA-N 1 0 308.338 1.106 20 5 DDBDRO CC(=O)N(C)C1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000299429287 526461127 /nfs/dbraw/zinc/46/11/27/526461127.db2.gz BODSKHPGGVWYRS-UHFFFAOYSA-N 1 0 321.377 1.916 20 5 DDBDRO CC(C)(CC[NH2+]Cc1ccccc1[N+](=O)[O-])S(C)(=O)=O ZINC000414518077 527048152 /nfs/dbraw/zinc/04/81/52/527048152.db2.gz RPSYKNQYGVQXSK-UHFFFAOYSA-N 1 0 300.380 1.898 20 5 DDBDRO CC1(C)[C@H]([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)[C@H]2CCO[C@H]21 ZINC000451473506 527869928 /nfs/dbraw/zinc/86/99/28/527869928.db2.gz WNOIRKOTCSUYDF-MRVWCRGKSA-N 1 0 307.350 1.160 20 5 DDBDRO CCCc1n[nH]c(C(=O)NCC[C@H]2CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000458170297 528545730 /nfs/dbraw/zinc/54/57/30/528545730.db2.gz OYNHISMMELOEER-LLVKDONJSA-N 1 0 323.397 1.732 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000457384851 528610672 /nfs/dbraw/zinc/61/06/72/528610672.db2.gz UQQWEPFFLQJYGD-NEPJUHHUSA-N 1 0 319.361 1.675 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCCO[C@@H](C[NH3+])C2)c1 ZINC000424015922 528610753 /nfs/dbraw/zinc/61/07/53/528610753.db2.gz CYSAQBWIJNPHEO-LBPRGKRZSA-N 1 0 323.349 1.183 20 5 DDBDRO CNC(=O)c1ccc(N[C@@H]2CC[N@H+](C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000336859134 536434797 /nfs/dbraw/zinc/43/47/97/536434797.db2.gz FIZDEHBJZDGWGA-ZYHUDNBSSA-N 1 0 306.366 1.849 20 5 DDBDRO C[N@@H+]1CCC[C@H](CNc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC000736857421 598503853 /nfs/dbraw/zinc/50/38/53/598503853.db2.gz NKLATWDFVYFBAW-SNVBAGLBSA-N 1 0 317.353 1.529 20 5 DDBDRO CC[C@H](C)[N@H+](C)CCNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC000820877007 606706020 /nfs/dbraw/zinc/70/60/20/606706020.db2.gz XZXURUGLDJSLBQ-VIFPVBQESA-N 1 0 320.357 1.312 20 5 DDBDRO C[C@@H]1[C@H](C)N(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CC[N@H+]1C ZINC000824860766 608196939 /nfs/dbraw/zinc/19/69/39/608196939.db2.gz XSOQJIDPFURYPR-ZJUUUORDSA-N 1 0 317.353 1.304 20 5 DDBDRO CC(C)CN(CC[NH+](C)C)C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000064963285 696342971 /nfs/dbraw/zinc/34/29/71/696342971.db2.gz FCVFDVDHKRSKIK-UHFFFAOYSA-N 1 0 308.382 1.837 20 5 DDBDRO CC(C)[C@H](C(=O)OCCn1cc([N+](=O)[O-])cn1)[NH+]1CCCC1 ZINC000748129137 700101452 /nfs/dbraw/zinc/10/14/52/700101452.db2.gz OLOKWWGNVASYSC-CYBMUJFWSA-N 1 0 310.354 1.455 20 5 DDBDRO [NH3+]C[C@H]1CCN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000178908671 697430666 /nfs/dbraw/zinc/43/06/66/697430666.db2.gz GMWHRDRSKHEUPY-MRVPVSSYSA-N 1 0 319.770 1.218 20 5 DDBDRO COCC[C@@]1([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCOC1 ZINC000773949568 697826388 /nfs/dbraw/zinc/82/63/88/697826388.db2.gz XOFUDTFBHMZTSC-HUUCEWRRSA-N 1 0 310.350 1.413 20 5 DDBDRO CC[S@](=O)CC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000774182039 697852335 /nfs/dbraw/zinc/85/23/35/697852335.db2.gz HRFRKVYWMXKQFI-OABGYEMISA-N 1 0 314.411 1.633 20 5 DDBDRO Cc1nn(CN2CCC[C@@H]([NH+](C)C)C2)c2ncc([N+](=O)[O-])cc12 ZINC000749955537 700194859 /nfs/dbraw/zinc/19/48/59/700194859.db2.gz RDEQNHGLMLQYDI-GFCCVEGCSA-N 1 0 318.381 1.631 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCSC[C@@H]2CCO)cc1 ZINC000776585903 698122136 /nfs/dbraw/zinc/12/21/36/698122136.db2.gz CTBGIDVLTUBFEA-KBPBESRZSA-N 1 0 312.391 1.428 20 5 DDBDRO C[NH2+][C@@H](C)Cc1noc(COc2ccc([N+](=O)[O-])c(F)c2)n1 ZINC000261806177 698438446 /nfs/dbraw/zinc/43/84/46/698438446.db2.gz PNIBTFWHLHURGZ-QMMMGPOBSA-N 1 0 310.285 1.846 20 5 DDBDRO O=C(NCC1C[NH2+]C1)c1ccc([N+](=O)[O-])cc1Br ZINC000261947879 698446552 /nfs/dbraw/zinc/44/65/52/698446552.db2.gz OUMFDRUVVJZIKE-UHFFFAOYSA-N 1 0 314.139 1.307 20 5 DDBDRO CS[C@@H]1CC[C@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000300662599 698600452 /nfs/dbraw/zinc/60/04/52/698600452.db2.gz YWSGYEKHCXZCKI-ZMLRMANQSA-N 1 0 300.384 1.026 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@H](CO)C2CCOCC2)cc1 ZINC000782530368 698734828 /nfs/dbraw/zinc/73/48/28/698734828.db2.gz UWXWQKMJOIAMAU-CABCVRRESA-N 1 0 310.350 1.005 20 5 DDBDRO CC[NH+](CC)CCS(=O)(=O)Oc1ccc([N+](=O)[O-])cc1 ZINC000786932751 699181044 /nfs/dbraw/zinc/18/10/44/699181044.db2.gz BBNIOEGNPLMMRO-UHFFFAOYSA-N 1 0 302.352 1.645 20 5 DDBDRO O=C1C[C@@]2(CC[N@@H+](Cn3ncc4cc([N+](=O)[O-])ccc43)C2)CN1 ZINC000788385346 699310571 /nfs/dbraw/zinc/31/05/71/699310571.db2.gz YZLDFMJUXSNOPB-HNNXBMFYSA-N 1 0 315.333 1.114 20 5 DDBDRO C[C@@H]([NH2+]CCN1CCOC[C@@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788590914 699326100 /nfs/dbraw/zinc/32/61/00/699326100.db2.gz WZLNIUQIRPNINZ-NWDGAFQWSA-N 1 0 308.382 1.548 20 5 DDBDRO Cc1cnn(CC[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000730086581 699499628 /nfs/dbraw/zinc/49/96/28/699499628.db2.gz RLBWAMXAQCAXTD-UHFFFAOYSA-N 1 0 315.377 1.922 20 5 DDBDRO C[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C(=O)N(C)C ZINC000790740797 699595156 /nfs/dbraw/zinc/59/51/56/699595156.db2.gz FEMPFVDNFVYCJU-LBPRGKRZSA-N 1 0 320.393 1.630 20 5 DDBDRO C[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1(CO)CCOCC1 ZINC000792409828 699695841 /nfs/dbraw/zinc/69/58/41/699695841.db2.gz QRHZVSKVOJLVKB-AWEZNQCLSA-N 1 0 310.350 1.102 20 5 DDBDRO COC[C@@H]1CC[N@H+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000739873055 699781536 /nfs/dbraw/zinc/78/15/36/699781536.db2.gz ROSULBUHVMKFBW-GFCCVEGCSA-N 1 0 317.349 1.779 20 5 DDBDRO C[NH+](C)Cc1ccc(NC(=O)Cn2cnc([N+](=O)[O-])n2)cc1F ZINC000754873753 700534955 /nfs/dbraw/zinc/53/49/55/700534955.db2.gz WFMBEEARVHHSHM-UHFFFAOYSA-N 1 0 322.300 1.026 20 5 DDBDRO C[NH+](C)Cc1ccc(NC(=O)Cn2ccc([N+](=O)[O-])n2)cc1F ZINC000754874887 700535233 /nfs/dbraw/zinc/53/52/33/700535233.db2.gz JUWLIONEWAPMQG-UHFFFAOYSA-N 1 0 321.312 1.631 20 5 DDBDRO Cc1nn(C[N@@H+]2CC[C@@]3(CCOC3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000756861340 700646218 /nfs/dbraw/zinc/64/62/18/700646218.db2.gz CDYMXTXKMQGXLA-OAHLLOKOSA-N 1 0 317.349 1.718 20 5 DDBDRO NC(=O)c1c[nH+]ccc1NCc1cc([N+](=O)[O-])ccc1Cl ZINC000762806139 700907924 /nfs/dbraw/zinc/90/79/24/700907924.db2.gz PGWRQQGCVRNSDZ-UHFFFAOYSA-N 1 0 306.709 1.776 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)[NH2+]C2CC(C(F)F)C2)cc1 ZINC000769516902 701247997 /nfs/dbraw/zinc/24/79/97/701247997.db2.gz KSOBIYHLTOYHCR-IOCWDNCASA-N 1 0 316.304 1.622 20 5 DDBDRO CCOc1ccc(NC(=O)C[NH2+][C@H](CO)C2CC2)c([N+](=O)[O-])c1 ZINC000771814750 701332643 /nfs/dbraw/zinc/33/26/43/701332643.db2.gz UBMKZHZVRFHSCR-CYBMUJFWSA-N 1 0 323.349 1.293 20 5 DDBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839724438 701797969 /nfs/dbraw/zinc/79/79/69/701797969.db2.gz IDLDZDDNNXPULU-PMOUVXMZSA-N 1 0 303.362 1.288 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)O[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000810839422 701859804 /nfs/dbraw/zinc/85/98/04/701859804.db2.gz AYZLUZILNCPNHH-STQMWFEESA-N 1 0 322.365 1.660 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NCC1([NH+](C)C)CC1 ZINC000879231071 706622707 /nfs/dbraw/zinc/62/27/07/706622707.db2.gz RZDFXDGWYOAOSG-UHFFFAOYSA-N 1 0 308.338 1.819 20 5 DDBDRO Cc1cc(C(=O)N2CC[C@H]([NH+](C)C)[C@@H]2C)c(N)c([N+](=O)[O-])c1 ZINC000816768406 702187989 /nfs/dbraw/zinc/18/79/89/702187989.db2.gz VIEMTDOJBBTODY-JQWIXIFHSA-N 1 0 306.366 1.650 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(c3nc4ccccn4c3[N+](=O)[O-])CC[C@H]21 ZINC000866206016 706648437 /nfs/dbraw/zinc/64/84/37/706648437.db2.gz ICIDIQGBTCXJBY-VXGBXAGGSA-N 1 0 301.350 1.773 20 5 DDBDRO C[C@@H]([NH3+])[C@H](C)NC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000841255895 702404563 /nfs/dbraw/zinc/40/45/63/702404563.db2.gz PQLBNQBXQHOXPH-RQJHMYQMSA-N 1 0 314.729 1.039 20 5 DDBDRO Cn1cc([C@@H]2CN(Cc3cc(F)ccc3[N+](=O)[O-])C[C@H]2[NH3+])cn1 ZINC000818340438 702638648 /nfs/dbraw/zinc/63/86/48/702638648.db2.gz MGACTDLEHUTIJK-UONOGXRCSA-N 1 0 319.340 1.394 20 5 DDBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(C)CC[NH3+] ZINC000842477985 702725610 /nfs/dbraw/zinc/72/56/10/702725610.db2.gz DAFRCYGCFHNXNL-MRVPVSSYSA-N 1 0 300.746 1.466 20 5 DDBDRO [NH3+]C[C@@H]1CCCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000843046814 702808014 /nfs/dbraw/zinc/80/80/14/702808014.db2.gz BFVKNQZHJBDALU-NSHDSACASA-N 1 0 307.350 1.537 20 5 DDBDRO C[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H](O)C(F)(F)F ZINC000843060021 702810455 /nfs/dbraw/zinc/81/04/55/702810455.db2.gz QSJZRVXVQATLRC-XROYCOCOSA-N 1 0 308.256 1.530 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CCCN2CCC(O)CC2)cc1 ZINC000843062798 702811291 /nfs/dbraw/zinc/81/12/91/702811291.db2.gz SHTBRKSEGNNHND-INIZCTEOSA-N 1 0 323.393 1.065 20 5 DDBDRO CSC[C@H](CCO)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843082673 702815487 /nfs/dbraw/zinc/81/54/87/702815487.db2.gz DEOWRNDJDBHEKJ-WCQYABFASA-N 1 0 300.380 1.332 20 5 DDBDRO CC[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@H](O)C(F)(F)F ZINC000843090521 702816862 /nfs/dbraw/zinc/81/68/62/702816862.db2.gz YIIPTUIKWHBWPV-SRVKXCTJSA-N 1 0 322.283 1.920 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@H]2CCCCN2CCO)c1 ZINC000843092760 702817475 /nfs/dbraw/zinc/81/74/75/702817475.db2.gz KSVAURCNLAHBQQ-HZPDHXFCSA-N 1 0 323.393 1.065 20 5 DDBDRO CC(C)([NH3+])Cc1nc(CCNc2ccccc2[N+](=O)[O-])no1 ZINC000843183953 702835435 /nfs/dbraw/zinc/83/54/35/702835435.db2.gz AIIXDPADZSMRHC-UHFFFAOYSA-N 1 0 305.338 1.912 20 5 DDBDRO O=[N+]([O-])c1ccc(Cc2noc(CC[C@H]3CC[NH2+]C3)n2)nc1 ZINC000843191552 702837901 /nfs/dbraw/zinc/83/79/01/702837901.db2.gz JAWABHCREPYEKL-JTQLQIEISA-N 1 0 303.322 1.506 20 5 DDBDRO O=[N+]([O-])c1ccc(Cc2noc(CC[C@@H]3CCC[NH2+]3)n2)nc1 ZINC000843191343 702837988 /nfs/dbraw/zinc/83/79/88/702837988.db2.gz DWDOPEWVAMTMPG-JTQLQIEISA-N 1 0 303.322 1.648 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)NCC[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000843338412 702862120 /nfs/dbraw/zinc/86/21/20/702862120.db2.gz UDWUMGSLLKFUSW-JTQLQIEISA-N 1 0 322.321 1.541 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1-c1noc([C@H](N)CC[NH+](C)C)n1 ZINC000844907869 703083276 /nfs/dbraw/zinc/08/32/76/703083276.db2.gz BJXSEELPCYVLCE-GFCCVEGCSA-N 1 0 305.338 1.905 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(CCOc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000879571937 706722118 /nfs/dbraw/zinc/72/21/18/706722118.db2.gz USADZQFHIBHPLU-CJNGLKHVSA-N 1 0 305.378 2.000 20 5 DDBDRO C[N@@H+]1CC[C@H]2CN(Cc3ccc(C(N)=O)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000879574458 706723726 /nfs/dbraw/zinc/72/37/26/706723726.db2.gz AAQVEZOWIHEPMO-KBPBESRZSA-N 1 0 318.377 1.220 20 5 DDBDRO C[C@@H]([NH2+]C[C@@H]1CC(=O)N(C2CC2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000846206653 703250931 /nfs/dbraw/zinc/25/09/31/703250931.db2.gz RTDWELPSLZJXEF-MNOVXSKESA-N 1 0 318.377 1.839 20 5 DDBDRO Cc1cc(C(=O)N2CCC(CC[NH3+])CC2)c(N)c([N+](=O)[O-])c1 ZINC000846696812 703319125 /nfs/dbraw/zinc/31/91/25/703319125.db2.gz XDCICJMICUBGJL-UHFFFAOYSA-N 1 0 306.366 1.686 20 5 DDBDRO O=C(CCN1CCC[C@H]2[NH2+]CC[C@@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000866722333 706775799 /nfs/dbraw/zinc/77/57/99/706775799.db2.gz XFHPCHRHWZGYIG-OCCSQVGLSA-N 1 0 318.377 1.750 20 5 DDBDRO COCCN1CCC([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000818974931 704039689 /nfs/dbraw/zinc/03/96/89/704039689.db2.gz ICUFDBVSYKDCOW-MRXNPFEDSA-N 1 0 323.393 1.329 20 5 DDBDRO CCOC(=O)CC[C@H](C)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819195234 704084895 /nfs/dbraw/zinc/08/48/95/704084895.db2.gz YQIJYKSVBDHFNR-SMDDNHRTSA-N 1 0 310.350 1.950 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H]2CCn3ccnc3C2)c1 ZINC000819244902 704094160 /nfs/dbraw/zinc/09/41/60/704094160.db2.gz PNMPPRZEINLNDW-GXTWGEPZSA-N 1 0 302.334 1.429 20 5 DDBDRO CCNC(=O)C1(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000819260649 704096122 /nfs/dbraw/zinc/09/61/22/704096122.db2.gz VCBMQEZCQHBDDA-AWEZNQCLSA-N 1 0 321.377 1.524 20 5 DDBDRO NC(=O)[C@H]1CC[C@H](C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000819376087 704116521 /nfs/dbraw/zinc/11/65/21/704116521.db2.gz WJYURMMZKFYTBW-UXIGCNINSA-N 1 0 321.377 1.510 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC000871153140 704232479 /nfs/dbraw/zinc/23/24/79/704232479.db2.gz HZIFMDOWJRLKQJ-UHFFFAOYSA-N 1 0 323.397 1.433 20 5 DDBDRO C[NH+](C)C1(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000854200608 704366222 /nfs/dbraw/zinc/36/62/22/704366222.db2.gz KMUGLHNBHUBGPP-UHFFFAOYSA-N 1 0 318.377 1.338 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC[C@](C)(O)C[NH+](C)C ZINC000821235663 704382944 /nfs/dbraw/zinc/38/29/44/704382944.db2.gz GYHAZGLZCLWHTQ-HNNXBMFYSA-N 1 0 309.366 1.254 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC(C[NH+](C)C)C1 ZINC000854722796 704444278 /nfs/dbraw/zinc/44/42/78/704444278.db2.gz LOLXAFHPYDKALH-UHFFFAOYSA-N 1 0 306.366 1.294 20 5 DDBDRO C[NH+](C)CC1CN(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C1 ZINC000854724598 704444359 /nfs/dbraw/zinc/44/43/59/704444359.db2.gz RSDJTRMTOXNCSQ-UHFFFAOYSA-N 1 0 313.304 1.707 20 5 DDBDRO C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000855733404 704499738 /nfs/dbraw/zinc/49/97/38/704499738.db2.gz SANVXIRGHJJKMT-ARFHVFGLSA-N 1 0 317.389 1.427 20 5 DDBDRO CC[C@H]1C[N@H+](CC)CCN1C(=O)Cn1c(C)ncc1[N+](=O)[O-] ZINC000821782350 704806231 /nfs/dbraw/zinc/80/62/31/704806231.db2.gz XIOQGUOYTKPXFP-LBPRGKRZSA-N 1 0 309.370 1.042 20 5 DDBDRO COC(=O)c1cc(NC(=O)N(C)C[C@@H](C)[NH3+])c(C)c([N+](=O)[O-])c1 ZINC000859681414 704972243 /nfs/dbraw/zinc/97/22/43/704972243.db2.gz LZNWZTHXNJJRNP-MRVPVSSYSA-N 1 0 324.337 1.501 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3C)n1 ZINC000874827016 705185539 /nfs/dbraw/zinc/18/55/39/705185539.db2.gz AGNBGIWHFWJHRN-QWRGUYRKSA-N 1 0 307.354 1.120 20 5 DDBDRO CN(CC[NH+]1CCCC1)C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823994495 705351519 /nfs/dbraw/zinc/35/15/19/705351519.db2.gz UGIWFCKOYXGKSH-UHFFFAOYSA-N 1 0 307.354 1.737 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876611655 705783350 /nfs/dbraw/zinc/78/33/50/705783350.db2.gz NOPDRPQJBIIRAM-NOZJJQNGSA-N 1 0 311.313 1.167 20 5 DDBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876649684 705801883 /nfs/dbraw/zinc/80/18/83/705801883.db2.gz CEUATXPPTYPLEC-DZGCQCFKSA-N 1 0 323.368 1.981 20 5 DDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876681742 705816837 /nfs/dbraw/zinc/81/68/37/705816837.db2.gz ZHIWZNKOOPVPAZ-ZBFHGGJFSA-N 1 0 303.362 1.786 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)c1 ZINC000827330866 705977269 /nfs/dbraw/zinc/97/72/69/705977269.db2.gz SKINIXDAJLKNPX-FZMZJTMJSA-N 1 0 319.361 1.770 20 5 DDBDRO CC(C)[C@H]1CN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000827490929 706013248 /nfs/dbraw/zinc/01/32/48/706013248.db2.gz JHPDJJNHUFAHQB-HUUCEWRRSA-N 1 0 321.377 1.427 20 5 DDBDRO O=C(COc1cccc([N+](=O)[O-])c1)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877284640 706048616 /nfs/dbraw/zinc/04/86/16/706048616.db2.gz OFGSNOCNCGUATB-KGLIPLIRSA-N 1 0 305.334 1.327 20 5 DDBDRO O=C(COc1ccccc1[N+](=O)[O-])N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000877400896 706096647 /nfs/dbraw/zinc/09/66/47/706096647.db2.gz XZWFUGCDOLKJTF-UKRRQHHQSA-N 1 0 305.334 1.374 20 5 DDBDRO C[N@@H+]1CCCC[C@@H](C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000877654212 706171190 /nfs/dbraw/zinc/17/11/90/706171190.db2.gz WTOSNECHGRFQPG-HSBZDZAISA-N 1 0 307.398 1.816 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@H](c2nccn2C)C1 ZINC000878518886 706414392 /nfs/dbraw/zinc/41/43/92/706414392.db2.gz VBSMKYTXPBZVOR-ZDUSSCGKSA-N 1 0 318.381 1.713 20 5 DDBDRO COc1cc(C[NH2+][C@@H]2[C@H]3C[C@H]4CO[C@H]2[C@H]4C3)c([N+](=O)[O-])cc1O ZINC000865691534 706498061 /nfs/dbraw/zinc/49/80/61/706498061.db2.gz BNJKIPJPABTPAJ-FADURIOFSA-N 1 0 320.345 1.822 20 5 DDBDRO CCc1nn(C)c(N[C@H]2CC[N@H+](CC(C)(C)O)C2)c1[N+](=O)[O-] ZINC000865998261 706589377 /nfs/dbraw/zinc/58/93/77/706589377.db2.gz AKNLEVFUKWVFIT-JTQLQIEISA-N 1 0 311.386 1.148 20 5 DDBDRO C[NH+](C)CCCS(=O)(=O)Oc1cc(F)cc([N+](=O)[O-])c1 ZINC000866990154 706866097 /nfs/dbraw/zinc/86/60/97/706866097.db2.gz RAXACZXVVZJKAH-UHFFFAOYSA-N 1 0 306.315 1.394 20 5 DDBDRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000880136794 706887912 /nfs/dbraw/zinc/88/79/12/706887912.db2.gz SGDINAJZXIAXOI-ARFHVFGLSA-N 1 0 305.378 1.797 20 5 DDBDRO O=C1CC2(CCC2)[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCN1 ZINC000880169331 706899448 /nfs/dbraw/zinc/89/94/48/706899448.db2.gz QVCSXPIJVQBBTG-AWEZNQCLSA-N 1 0 319.361 1.373 20 5 DDBDRO C[NH2+][C@@H]1CCCN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000832566411 706941590 /nfs/dbraw/zinc/94/15/90/706941590.db2.gz ZTAXHVNUMXZYEX-GFCCVEGCSA-N 1 0 317.349 1.155 20 5 DDBDRO C[C@@H]1CN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CC[C@H]1[NH3+] ZINC000832736753 706972608 /nfs/dbraw/zinc/97/26/08/706972608.db2.gz BDGDIMJOQJDPLC-ZWNOBZJWSA-N 1 0 317.349 1.140 20 5 DDBDRO Cc1c(C(=O)N[C@@H](C)[C@H](C)[NH3+])cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000834821137 707129294 /nfs/dbraw/zinc/12/92/94/707129294.db2.gz KTBYEAMSVYRAHC-IUCAKERBSA-N 1 0 310.310 1.585 20 5 DDBDRO CC(C)(C[NH+]1CCCC1)NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000837175198 707592079 /nfs/dbraw/zinc/59/20/79/707592079.db2.gz ZZFSHUREMZHPHD-AWEZNQCLSA-N 1 0 321.377 1.619 20 5 DDBDRO CN(CCCC[NH+]1CCCCC1)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000882624432 707721444 /nfs/dbraw/zinc/72/14/44/707721444.db2.gz SFRJGLDMJBBKMV-UHFFFAOYSA-N 1 0 323.397 1.516 20 5 DDBDRO Cc1c(C[NH2+][C@H](C)CCS(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000873078932 707722061 /nfs/dbraw/zinc/72/20/61/707722061.db2.gz UPTWWVYKEDJVLP-SNVBAGLBSA-N 1 0 300.380 1.816 20 5 DDBDRO C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CC3[N+](=O)[O-])cc2)CC1 ZINC000839480078 708050789 /nfs/dbraw/zinc/05/07/89/708050789.db2.gz YPPIEPJNCGKVTL-ZIAGYGMSSA-N 1 0 304.350 1.042 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](CO)C[NH+]2CCCC2)c1C ZINC000897766612 708443827 /nfs/dbraw/zinc/44/38/27/708443827.db2.gz QIMVBKHVCOIRKR-CYBMUJFWSA-N 1 0 321.377 1.398 20 5 DDBDRO O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000885857333 708640878 /nfs/dbraw/zinc/64/08/78/708640878.db2.gz AYCWYMOOHKFWBY-CYBMUJFWSA-N 1 0 319.361 1.578 20 5 DDBDRO Cc1ccccc1[C@@H](CO)[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000886433767 708760332 /nfs/dbraw/zinc/76/03/32/708760332.db2.gz UBURAXQXCCBFIJ-CQSZACIVSA-N 1 0 304.350 1.765 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@H](c2ncccn2)C1 ZINC000886689775 708814477 /nfs/dbraw/zinc/81/44/77/708814477.db2.gz HNFJTXSIDPWHQV-ZDUSSCGKSA-N 1 0 316.365 1.769 20 5 DDBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCN1CCNC1=O ZINC000886746936 708834525 /nfs/dbraw/zinc/83/45/25/708834525.db2.gz GJBRYZOPHQPHCV-SNVBAGLBSA-N 1 0 310.329 1.280 20 5 DDBDRO CN1CCO[C@@H](C(=O)N2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000912652381 713061133 /nfs/dbraw/zinc/06/11/33/713061133.db2.gz FWDQSFHZGFSHRE-OAHLLOKOSA-N 1 0 319.361 1.595 20 5 DDBDRO O=C(NC[C@H]1C[NH2+]CCC1(F)F)Nc1ccc([N+](=O)[O-])cc1 ZINC000886944725 708899864 /nfs/dbraw/zinc/89/98/64/708899864.db2.gz VGTVWLJFHMOFLE-SECBINFHSA-N 1 0 314.292 1.961 20 5 DDBDRO C[NH+](C)CCn1nccc1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000899911633 709235178 /nfs/dbraw/zinc/23/51/78/709235178.db2.gz SSNVQIFHTXPMGG-UHFFFAOYSA-N 1 0 303.322 1.605 20 5 DDBDRO COc1cccc(C(=O)N2CCC([NH+]3CCC3)CC2)c1[N+](=O)[O-] ZINC000912873771 713112609 /nfs/dbraw/zinc/11/26/09/713112609.db2.gz UOMSILNZMYCYSY-UHFFFAOYSA-N 1 0 319.361 1.914 20 5 DDBDRO CC(C)[NH+](Cc1cn(CCn2ccc([N+](=O)[O-])n2)nn1)C(C)C ZINC000900536335 709641251 /nfs/dbraw/zinc/64/12/51/709641251.db2.gz GGEGMXQJKDPPLZ-UHFFFAOYSA-N 1 0 321.385 1.702 20 5 DDBDRO CNc1c(C(=O)N2CC[C@@H]([NH+]3CCC3)C2)cccc1[N+](=O)[O-] ZINC000912909966 713121123 /nfs/dbraw/zinc/12/11/23/713121123.db2.gz KWPGFMKIUYRUBR-LLVKDONJSA-N 1 0 304.350 1.557 20 5 DDBDRO CC1(C)CC[N@H+](CCNC(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000890081680 709740426 /nfs/dbraw/zinc/74/04/26/709740426.db2.gz KMPZNMOYTMYZBC-UHFFFAOYSA-N 1 0 305.378 1.985 20 5 DDBDRO C[C@H]1CC[N@H+](CCNC(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000892418318 710434073 /nfs/dbraw/zinc/43/40/73/710434073.db2.gz OSNFMOFLKVKIJN-LBPRGKRZSA-N 1 0 306.366 1.736 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@]2(C)C[NH+]3CCC2CC3)n1 ZINC000892773963 710496575 /nfs/dbraw/zinc/49/65/75/710496575.db2.gz LZUBVZYXPKZCJP-AWEZNQCLSA-N 1 0 307.354 1.025 20 5 DDBDRO CS[C@@H]1CN(c2ccc3nonc3c2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000893002893 710539668 /nfs/dbraw/zinc/53/96/68/710539668.db2.gz WOSXNUWBRNXENM-GHMZBOCLSA-N 1 0 323.378 1.613 20 5 DDBDRO C[N@@H+]1C[C@H]2CCN(C(=O)NCCc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000893266689 710583041 /nfs/dbraw/zinc/58/30/41/710583041.db2.gz SQKMOQGANXGWNB-UKRRQHHQSA-N 1 0 318.377 1.483 20 5 DDBDRO C[C@H]1CCC[N@@H+]1CCNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000893267419 710583073 /nfs/dbraw/zinc/58/30/73/710583073.db2.gz YWGHRFYNGJDSBJ-ZDUSSCGKSA-N 1 0 320.393 1.921 20 5 DDBDRO COc1cc(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2C)cc([N+](=O)[O-])c1C ZINC000928438768 713195830 /nfs/dbraw/zinc/19/58/30/713195830.db2.gz GVCNLTZQIVFTAR-PWSUYJOCSA-N 1 0 307.350 1.734 20 5 DDBDRO C[C@@H]1[C@H](NC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)CC[N@@H+]1C ZINC000928438583 713195872 /nfs/dbraw/zinc/19/58/72/713195872.db2.gz GIDSEGYKKFEHRN-BXKDBHETSA-N 1 0 324.356 1.622 20 5 DDBDRO C[C@H]1[C@@H](NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC[N@@H+]1C ZINC000928445236 713199502 /nfs/dbraw/zinc/19/95/02/713199502.db2.gz PQLCXAPPUCZAIA-FZMZJTMJSA-N 1 0 316.361 1.758 20 5 DDBDRO C[NH+]1CCC(C(=O)NCc2cc([N+](=O)[O-])c(F)cc2F)CC1 ZINC000911470003 710811498 /nfs/dbraw/zinc/81/14/98/710811498.db2.gz MQJJMNPANDUECK-UHFFFAOYSA-N 1 0 313.304 1.831 20 5 DDBDRO [NH3+][C@H]1CN(Cc2cccnc2[N+](=O)[O-])CC[C@@H]1C(F)(F)F ZINC000903541638 711180261 /nfs/dbraw/zinc/18/02/61/711180261.db2.gz NFBHNXACHBAVKC-UWVGGRQHSA-N 1 0 304.272 1.701 20 5 DDBDRO CN(CC[N@H+](C)CCO)c1nccc2ccc([N+](=O)[O-])cc21 ZINC000894590333 711198452 /nfs/dbraw/zinc/19/84/52/711198452.db2.gz DDUBPOFKJDHRHH-UHFFFAOYSA-N 1 0 304.350 1.503 20 5 DDBDRO C[NH2+]C[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000903577452 711204737 /nfs/dbraw/zinc/20/47/37/711204737.db2.gz LISTZPNTNAJVTR-VIFPVBQESA-N 1 0 319.408 1.419 20 5 DDBDRO C[C@@]1(NC(=O)CNc2ccccc2[N+](=O)[O-])C[NH+]2CCC1CC2 ZINC000912381244 711302625 /nfs/dbraw/zinc/30/26/25/711302625.db2.gz XQWUWLQUJZKDCJ-MRXNPFEDSA-N 1 0 318.377 1.607 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC[C@@]23CC[NH2+]C3)c1 ZINC000903869060 711309432 /nfs/dbraw/zinc/30/94/32/711309432.db2.gz AHBZRWWXGOCKKO-HOCLYGCPSA-N 1 0 321.377 1.162 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@@H](CC[NH+](C)C)C2)n1 ZINC000895324997 711484072 /nfs/dbraw/zinc/48/40/72/711484072.db2.gz MYDNOWYMDMKVPO-LLVKDONJSA-N 1 0 322.365 1.554 20 5 DDBDRO C[C@@H]1[C@H](Nc2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])CC[N@@H+]1C ZINC000895737553 711590755 /nfs/dbraw/zinc/59/07/55/711590755.db2.gz BJCXSFDWTZCKML-ZYHUDNBSSA-N 1 0 316.361 1.951 20 5 DDBDRO C[N@H+](CC(=O)N[C@@](C)(CO)c1cccc([N+](=O)[O-])c1)C1CCC1 ZINC000913660237 713276796 /nfs/dbraw/zinc/27/67/96/713276796.db2.gz SAQZRWNBKYIWDX-INIZCTEOSA-N 1 0 321.377 1.403 20 5 DDBDRO CSc1ccc(C(=O)NC23CC[NH+](CC2)C3)cc1[N+](=O)[O-] ZINC000913625293 713271502 /nfs/dbraw/zinc/27/15/02/713271502.db2.gz IQQKQFFALHAPNJ-UHFFFAOYSA-N 1 0 307.375 1.895 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCN2C)c1 ZINC000896558122 711751663 /nfs/dbraw/zinc/75/16/63/711751663.db2.gz YDZHAUNCFOVBHJ-IUODEOHRSA-N 1 0 320.393 1.267 20 5 DDBDRO COC[C@H]1C[NH2+]CCN1C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000904406413 711853575 /nfs/dbraw/zinc/85/35/75/711853575.db2.gz SMFCXMMIDFMKLK-GFCCVEGCSA-N 1 0 308.338 1.355 20 5 DDBDRO Cc1cccc(N2CCN(CCC[NH2+]CC[N+](=O)[O-])CC2)c1 ZINC000905034365 711914688 /nfs/dbraw/zinc/91/46/88/711914688.db2.gz KPGIIMMPLUVABS-UHFFFAOYSA-N 1 0 306.410 1.373 20 5 DDBDRO CC(=O)Nc1ccc(CN2CCC([NH2+]CC[N+](=O)[O-])CC2)cc1 ZINC000905277595 711989665 /nfs/dbraw/zinc/98/96/65/711989665.db2.gz BLGHDTNXHJUGTL-UHFFFAOYSA-N 1 0 320.393 1.476 20 5 DDBDRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NCC[N+](=O)[O-] ZINC000905328455 712003724 /nfs/dbraw/zinc/00/37/24/712003724.db2.gz LODJOWMNNBFNOE-UHFFFAOYSA-N 1 0 308.382 1.526 20 5 DDBDRO CC(C)(C)OC(=O)C1CC2(C1)CC[C@@H](C[NH2+]CC[N+](=O)[O-])O2 ZINC000905589759 712087885 /nfs/dbraw/zinc/08/78/85/712087885.db2.gz ATXNZEBCQPGBNV-AVERBVTBSA-N 1 0 314.382 1.522 20 5 DDBDRO O=C(NCC1CC[NH2+]CC1)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000906626969 712373789 /nfs/dbraw/zinc/37/37/89/712373789.db2.gz IJFMKSZEEBREOP-GJZGRUSLSA-N 1 0 303.362 1.814 20 5 DDBDRO C[NH+](C)C[C@H](CO)NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000908201518 712708677 /nfs/dbraw/zinc/70/86/77/712708677.db2.gz QBAFOCKHDHEZBL-MRVPVSSYSA-N 1 0 319.720 1.040 20 5 DDBDRO CCO[C@@H](CNC(=O)NCc1cccc([N+](=O)[O-])c1)C[NH+](C)C ZINC000915089888 713409302 /nfs/dbraw/zinc/40/93/02/713409302.db2.gz NOMMOFAYPKJCBH-AWEZNQCLSA-N 1 0 324.381 1.361 20 5 DDBDRO C[NH+](C)C1CC(NS(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000916956593 713475819 /nfs/dbraw/zinc/47/58/19/713475819.db2.gz UWDZBNBJEGTXIC-UHFFFAOYSA-N 1 0 305.381 1.027 20 5 DDBDRO C[C@H](CNC(=O)CCn1cc([N+](=O)[O-])cn1)[NH+]1CCCCC1 ZINC000920741647 713691084 /nfs/dbraw/zinc/69/10/84/713691084.db2.gz PLTNQFODOVDTQQ-GFCCVEGCSA-N 1 0 309.370 1.172 20 5 DDBDRO C[C@H]1Cc2cc(C[NH2+]CCn3cc([N+](=O)[O-])cn3)ccc2O1 ZINC000921862940 713889391 /nfs/dbraw/zinc/88/93/91/713889391.db2.gz ROLMMKLZRNCJNY-NSHDSACASA-N 1 0 302.334 1.905 20 5 DDBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000931043710 713989408 /nfs/dbraw/zinc/98/94/08/713989408.db2.gz RMDLRZCPRIZZNO-XPKDYRNWSA-N 1 0 323.393 1.359 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@H]([NH+](C)C)[C@H]1C ZINC000931044355 713989650 /nfs/dbraw/zinc/98/96/50/713989650.db2.gz MMXVVMJWKISDHX-DOMZBBRYSA-N 1 0 320.393 1.866 20 5 DDBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000931043933 713989752 /nfs/dbraw/zinc/98/97/52/713989752.db2.gz RSFAHQQADZNCLV-HZMBPMFUSA-N 1 0 303.366 1.996 20 5 DDBDRO C[C@H]1[C@@H]([NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CCN1C ZINC000922556754 714088026 /nfs/dbraw/zinc/08/80/26/714088026.db2.gz JKTKCGRYKMGLSF-JQWIXIFHSA-N 1 0 307.350 1.548 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)NCC[N@@H+](C)C1CCCC1 ZINC000932046867 714245680 /nfs/dbraw/zinc/24/56/80/714245680.db2.gz RQLMURXGHKVIFY-UHFFFAOYSA-N 1 0 309.370 1.090 20 5 DDBDRO C[C@@H]1C[NH2+][C@@H](C)[C@@H](C)N1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000923445693 714358055 /nfs/dbraw/zinc/35/80/55/714358055.db2.gz WEUWYWUSBAYTSC-FRRDWIJNSA-N 1 0 320.393 1.994 20 5 DDBDRO C[C@](CO)(Cc1ccc(F)cc1)[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000933438262 714589196 /nfs/dbraw/zinc/58/91/96/714589196.db2.gz ILHZJMHRIKFUAC-OAHLLOKOSA-N 1 0 322.340 1.514 20 5 DDBDRO O=C1OCCCN1C1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000933616721 714632281 /nfs/dbraw/zinc/63/22/81/714632281.db2.gz LNIRJPSZNJBKTK-UHFFFAOYSA-N 1 0 323.353 1.098 20 5 DDBDRO Cc1ccc(CN2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)cc1[N+](=O)[O-] ZINC000934271837 714782369 /nfs/dbraw/zinc/78/23/69/714782369.db2.gz HFENQDOAEIMLST-HZPDHXFCSA-N 1 0 319.405 1.934 20 5 DDBDRO O=[N+]([O-])c1cnc(N2CCN3CC[NH2+]C[C@H]3C2)c2ccccc21 ZINC001164398934 718833003 /nfs/dbraw/zinc/83/30/03/718833003.db2.gz MKGLQRLHDHYDBT-LBPRGKRZSA-N 1 0 313.361 1.237 20 5 DDBDRO C[N@@H+]1CCO[C@H]2CN(c3cnc4cc([N+](=O)[O-])ccc4n3)C[C@H]21 ZINC001164669125 719379301 /nfs/dbraw/zinc/37/93/01/719379301.db2.gz QBKCUQXSDZXWPF-KGLIPLIRSA-N 1 0 315.333 1.057 20 5 DDBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)c1cnon1 ZINC001020786225 732676255 /nfs/dbraw/zinc/67/62/55/732676255.db2.gz TVUPIZIBDPHGSL-XYPYZODXSA-N 1 0 317.305 1.028 20 5 DDBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc(F)cn1 ZINC001126066367 738222252 /nfs/dbraw/zinc/22/22/52/738222252.db2.gz HJXVKTJUUIAVSP-UHFFFAOYSA-N 1 0 318.308 1.649 20 5 DDBDRO CN(CCCN(C)c1ncccc1[N+](=O)[O-])C(=O)CC[NH+](C)C ZINC001112165196 740651039 /nfs/dbraw/zinc/65/10/39/740651039.db2.gz VAJKNISXHYRBJP-UHFFFAOYSA-N 1 0 323.397 1.226 20 5 DDBDRO COc1nc(SC)nc(N[C@H]2C[NH2+]CC[C@H]2F)c1[N+](=O)[O-] ZINC001168226974 741832160 /nfs/dbraw/zinc/83/21/60/741832160.db2.gz IVHIXFIXYXATAA-RQJHMYQMSA-N 1 0 317.346 1.227 20 5 DDBDRO O=C(NCC[NH2+]Cc1ccccc1C1CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126936424 742832409 /nfs/dbraw/zinc/83/24/09/742832409.db2.gz HAYXVRXGCRYTEJ-HUUCEWRRSA-N 1 0 303.362 1.435 20 5 DDBDRO C[NH+](C)CCCC(=O)NCC1(Nc2ccc([N+](=O)[O-])cn2)CC1 ZINC001110317111 743662472 /nfs/dbraw/zinc/66/24/72/743662472.db2.gz CRMGYCVPTBVTKT-UHFFFAOYSA-N 1 0 321.381 1.392 20 5 DDBDRO C[NH+](C)CCCC(=O)NCC1(Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC001110320133 743695107 /nfs/dbraw/zinc/69/51/07/743695107.db2.gz BVNLHUHFEHZZBK-UHFFFAOYSA-N 1 0 320.393 1.997 20 5 DDBDRO CC(C)Oc1cc(C(=O)N2CC[N@@H+]3CC[C@H]2C3)ccc1[N+](=O)[O-] ZINC000597709119 745136679 /nfs/dbraw/zinc/13/66/79/745136679.db2.gz VBWCQNRBDOEEKW-ZDUSSCGKSA-N 1 0 319.361 1.912 20 5 DDBDRO O=C(NCC1C[NH+](CC2CC3(CCC3)C2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001031662763 747337120 /nfs/dbraw/zinc/33/71/20/747337120.db2.gz LOQGMIAVLGMTBG-ZIAGYGMSSA-N 1 0 307.394 1.280 20 5 DDBDRO CC[N@H+](CCC(=O)NC)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001198362458 747464508 /nfs/dbraw/zinc/46/45/08/747464508.db2.gz GATRMTNVZVDJGO-LLVKDONJSA-N 1 0 322.365 1.380 20 5 DDBDRO CCCSCC(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001124197178 747716430 /nfs/dbraw/zinc/71/64/30/747716430.db2.gz HWSSYQMNJJIFMY-UHFFFAOYSA-N 1 0 311.407 1.944 20 5 DDBDRO CCOc1cc(NC(=[NH2+])N2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC001168740010 748699044 /nfs/dbraw/zinc/69/90/44/748699044.db2.gz AIYKJZJNMRRKJD-UHFFFAOYSA-N 1 0 307.354 1.588 20 5 DDBDRO O=C(Cc1ccon1)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001125103753 748862023 /nfs/dbraw/zinc/86/20/23/748862023.db2.gz NBEPDBIFUWFEQS-UHFFFAOYSA-N 1 0 304.306 1.031 20 5 DDBDRO CC(C)[N@H+](C)CC(=O)NCCCN(C)c1ccccc1[N+](=O)[O-] ZINC001095574670 750050823 /nfs/dbraw/zinc/05/08/23/750050823.db2.gz IGMXLGUHRWMHCL-UHFFFAOYSA-N 1 0 322.409 1.878 20 5 DDBDRO [NH3+][C@H]1CCc2nn(-c3ncnc4sc([N+](=O)[O-])cc43)cc2C1 ZINC001168816720 762027773 /nfs/dbraw/zinc/02/77/73/762027773.db2.gz SHEJWRCLWRSMHN-QMMMGPOBSA-N 1 0 316.346 1.601 20 5 DDBDRO [NH3+][C@H]1CCc2nn(-c3nc4c(cc3[N+](=O)[O-])CCCC4)cc2C1 ZINC001168811697 762045275 /nfs/dbraw/zinc/04/52/75/762045275.db2.gz MSZZRRVTVJVBRR-LBPRGKRZSA-N 1 0 313.361 1.870 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2ncc(Br)cn2)C1 ZINC001168979936 762148810 /nfs/dbraw/zinc/14/88/10/762148810.db2.gz CHVUXHMQJTWHHQ-SCZZXKLOSA-N 1 0 315.171 1.774 20 5 DDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2ccc(OC3COC3)cc2)C1 ZINC001168971943 762161466 /nfs/dbraw/zinc/16/14/66/762161466.db2.gz MALQJKOYQZKOJP-KBPBESRZSA-N 1 0 306.362 1.999 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2ccnc(OC3CCC3)n2)C1 ZINC001168994618 762168039 /nfs/dbraw/zinc/16/80/39/762168039.db2.gz QNAKDNIQRGRGGL-NEPJUHHUSA-N 1 0 306.366 1.943 20 5 DDBDRO COc1cccc(C2([NH2+][C@@H]3CC[C@@H](C[N+](=O)[O-])C3)COC2)c1 ZINC001168997070 762169678 /nfs/dbraw/zinc/16/96/78/762169678.db2.gz XEWQXJSPZZLDCW-TZMCWYRMSA-N 1 0 306.362 1.956 20 5 DDBDRO O=C([C@@H]1CCC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1)N1CCCC1 ZINC001169022489 762200936 /nfs/dbraw/zinc/20/09/36/762200936.db2.gz CEVKWGRZQQAQID-RRFJBIMHSA-N 1 0 309.410 1.766 20 5 DDBDRO C[C@@H]([NH3+])c1ccn(-c2cc([N+](=O)[O-])cc(Br)n2)n1 ZINC001169231943 762293310 /nfs/dbraw/zinc/29/33/10/762293310.db2.gz WXQRMTYDIGLZKU-ZCFIWIBFSA-N 1 0 312.127 1.958 20 5 DDBDRO CCC(CC)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001017544484 758011783 /nfs/dbraw/zinc/01/17/83/758011783.db2.gz UILYABSQUWHERR-LXTVHRRPSA-N 1 0 309.410 1.763 20 5 DDBDRO C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1F)[C@H]1C[N@H+](C)CCN1C ZINC000829037764 759864822 /nfs/dbraw/zinc/86/48/22/759864822.db2.gz MIXZTHJYWZHKFB-IINYFYTJSA-N 1 0 324.356 1.098 20 5 DDBDRO COc1nc(C)c(-n2nnc3ccc(C[NH3+])cc32)cc1[N+](=O)[O-] ZINC001170023880 764106751 /nfs/dbraw/zinc/10/67/51/764106751.db2.gz PUFVAIATWFLGEZ-UHFFFAOYSA-N 1 0 314.305 1.499 20 5 DDBDRO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1C[NH+](CCC2CCCCC2)C1 ZINC001042704947 764373092 /nfs/dbraw/zinc/37/30/92/764373092.db2.gz CTVQQJOOTJHPLU-HUUCEWRRSA-N 1 0 309.410 1.765 20 5 DDBDRO CCC[N@@H+]1CCc2c(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])cccc2C1 ZINC001051291494 764719191 /nfs/dbraw/zinc/71/91/91/764719191.db2.gz RPXWXGRXIQZDCO-HZPDHXFCSA-N 1 0 317.389 1.736 20 5 DDBDRO COc1ccc(C[C@H](C)[N@@H+]2CC[C@@H](CO)[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC001170334314 766256823 /nfs/dbraw/zinc/25/68/23/766256823.db2.gz CAJBUYDAPHSDCN-RBOXIYTFSA-N 1 0 324.377 1.210 20 5 DDBDRO COc1ccc(C[C@@H](C)[NH2+][C@@H]2CCC(=O)N(C)C2)c([N+](=O)[O-])c1 ZINC001170308793 766259452 /nfs/dbraw/zinc/25/94/52/766259452.db2.gz PCCCETFXJDWKER-DGCLKSJQSA-N 1 0 321.377 1.745 20 5 DDBDRO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001048525498 769492626 /nfs/dbraw/zinc/49/26/26/769492626.db2.gz XJYNOKISQGBGIL-YIDVYQOGSA-N 1 0 321.421 1.811 20 5 DDBDRO C[C@H](Nc1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-])c1cccc(N)c1 ZINC001170733016 770699948 /nfs/dbraw/zinc/69/99/48/770699948.db2.gz BSFYZTQWFXCXSH-VIFPVBQESA-N 1 0 314.349 1.827 20 5 DDBDRO Cc1nc(C(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)c(C)o1 ZINC001135669289 771643268 /nfs/dbraw/zinc/64/32/68/771643268.db2.gz HYBIXELTGJIJAA-UHFFFAOYSA-N 1 0 324.362 1.781 20 5 DDBDRO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1ccc2nc[nH]c2c1[N+](=O)[O-] ZINC001170874150 771808243 /nfs/dbraw/zinc/80/82/43/771808243.db2.gz DMFQARUFWANRBU-LDYMZIIASA-N 1 0 319.321 1.034 20 5 DDBDRO COc1cc(C(=O)NC[C@H]2CC[N@H+](C)C2)c([N+](=O)[O-])cc1F ZINC001136342058 771942661 /nfs/dbraw/zinc/94/26/61/771942661.db2.gz BPLGQPXBJKAXBL-SECBINFHSA-N 1 0 311.313 1.424 20 5 DDBDRO Cc1cc([N+](=O)[O-])cnc1NCCCNC(=O)C[N@@H+](C)C(C)C ZINC001094456730 775894678 /nfs/dbraw/zinc/89/46/78/775894678.db2.gz PJGREBYEXITNDC-UHFFFAOYSA-N 1 0 323.397 1.557 20 5 DDBDRO CN(CCNC(=O)CCC[NH+](C)C)c1ccccc1[N+](=O)[O-] ZINC001100286521 775940505 /nfs/dbraw/zinc/94/05/05/775940505.db2.gz BTQLDSMNVARIAQ-UHFFFAOYSA-N 1 0 308.382 1.489 20 5 DDBDRO O=C1CC[C@@H]([NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C(=O)N1 ZINC001172900356 776915187 /nfs/dbraw/zinc/91/51/87/776915187.db2.gz SOAAQHCHRDQCHO-TZMCWYRMSA-N 1 0 317.345 1.237 20 5 DDBDRO O=C1C[C@H](C[NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CN1 ZINC001172901422 776916184 /nfs/dbraw/zinc/91/61/84/776916184.db2.gz NCLNKTYUAWABHZ-RISCZKNCSA-N 1 0 303.362 1.568 20 5 DDBDRO O=C1OCCN1CC[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172901340 776916239 /nfs/dbraw/zinc/91/62/39/776916239.db2.gz MCMUYPPAGRIZQR-CQSZACIVSA-N 1 0 319.361 1.884 20 5 DDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCN(C2COC2)C1 ZINC001173218886 777050889 /nfs/dbraw/zinc/05/08/89/777050889.db2.gz SICUZWJMVOBOBR-OCCSQVGLSA-N 1 0 305.378 1.589 20 5 DDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@]2(CCNC2=O)C1 ZINC001173221010 777053142 /nfs/dbraw/zinc/05/31/42/777053142.db2.gz FGARWIVFGRAKBR-BLLLJJGKSA-N 1 0 303.362 1.738 20 5 DDBDRO CN(CCNc1ccc([N+](=O)[O-])cn1)C(=O)CCCC[NH+](C)C ZINC001101709024 777419843 /nfs/dbraw/zinc/41/98/43/777419843.db2.gz LCFUBIJXJTZLHK-UHFFFAOYSA-N 1 0 323.397 1.592 20 5 DDBDRO C[C@](CO)([NH2+]C[C@H](O)CC1(O)CCC1)c1cccc([N+](=O)[O-])c1 ZINC001175324027 777751226 /nfs/dbraw/zinc/75/12/26/777751226.db2.gz ROUYJTCSAVZIPI-HUUCEWRRSA-N 1 0 324.377 1.058 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@@H]1COC[C@H]1C ZINC001176355935 778132590 /nfs/dbraw/zinc/13/25/90/778132590.db2.gz PSBGAQMNZOHFJL-GBIKHYSHSA-N 1 0 323.349 1.555 20 5 DDBDRO C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC001178202912 778942033 /nfs/dbraw/zinc/94/20/33/778942033.db2.gz KMIUVBGYKBKNRT-JTQLQIEISA-N 1 0 316.321 1.064 20 5 DDBDRO C[NH+](C)CC[C@H](NC(=O)c1c[nH]nc1[N+](=O)[O-])c1cccnc1 ZINC001178401148 779016225 /nfs/dbraw/zinc/01/62/25/779016225.db2.gz RHONATZWPCRLGE-LBPRGKRZSA-N 1 0 318.337 1.136 20 5 DDBDRO O=C([C@@H](F)[C@H]1CC[NH2+]C1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001119236798 781373568 /nfs/dbraw/zinc/37/35/68/781373568.db2.gz DEXPPEYOVARPBJ-FZMZJTMJSA-N 1 0 307.325 1.427 20 5 DDBDRO CCc1ccc(C[N@H+](C)CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC001267194776 837511892 /nfs/dbraw/zinc/51/18/92/837511892.db2.gz XYIRKRURHOKGOJ-HUUCEWRRSA-N 1 0 305.378 1.462 20 5 DDBDRO [NH3+][C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC001356442300 843769011 /nfs/dbraw/zinc/76/90/11/843769011.db2.gz LLFCMFDNYYNZDE-KNVOCYPGSA-N 1 0 314.139 1.577 20 5 DDBDRO Cc1ncc(CNc2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)s1 ZINC001154799182 861467213 /nfs/dbraw/zinc/46/72/13/861467213.db2.gz GZGQESUOHMAUHS-UHFFFAOYSA-N 1 0 306.351 1.449 20 5 DDBDRO Cc1ccc(S(=O)(=O)N2CC(OCC[N+](C)(C)C)C2)cc1 ZINC001224772866 845648738 /nfs/dbraw/zinc/64/87/38/845648738.db2.gz CLFJJVFKSUCWFS-UHFFFAOYSA-N 1 0 313.443 1.091 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])cnc1NC[C@H]1CCC[NH2+]C[C@H]1C ZINC001155020992 861653705 /nfs/dbraw/zinc/65/37/05/861653705.db2.gz SAGCVWYSLQQOEB-GHMZBOCLSA-N 1 0 322.365 1.824 20 5 DDBDRO CSc1nc(Cl)nc(NC[C@@H]2C[C@H](F)C[NH2+]2)c1[N+](=O)[O-] ZINC001155038475 861667364 /nfs/dbraw/zinc/66/73/64/861667364.db2.gz SEYSAUOQXDCUQJ-WDSKDSINSA-N 1 0 321.765 1.872 20 5 DDBDRO COC(=O)[C@@H](Nc1ncnc2cccc([N+](=O)[O-])c21)C(C)(C)[NH3+] ZINC001155370886 862004458 /nfs/dbraw/zinc/00/44/58/862004458.db2.gz VEGGLSBWPNPLIO-LLVKDONJSA-N 1 0 319.321 1.229 20 5 DDBDRO Cc1ncc([N+](=O)[O-])c(NC[C@H]2CCC3(CC[NH2+]CC3)CO2)n1 ZINC001155381530 862018541 /nfs/dbraw/zinc/01/85/41/862018541.db2.gz CGLIDUDLEVYJTI-GFCCVEGCSA-N 1 0 321.381 1.654 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])c(NCc2nnn3c2C[NH2+]CCC3)n1 ZINC001155398008 862043200 /nfs/dbraw/zinc/04/32/00/862043200.db2.gz QLBXLZZLGJHEMC-UHFFFAOYSA-N 1 0 317.353 1.304 20 5 DDBDRO O=[N+]([O-])c1cnc(NC[C@H]2OC[C@H]3C[NH2+]CC[C@H]32)c(Cl)c1 ZINC001155514097 862178645 /nfs/dbraw/zinc/17/86/45/862178645.db2.gz BRPKBWZGWOOBKD-HLUHBDAQSA-N 1 0 312.757 1.680 20 5 DDBDRO O=[N+]([O-])c1cnc(NC[C@@]23C[NH2+][C@@H](CO2)C3)c2ccccc21 ZINC001155541573 862209006 /nfs/dbraw/zinc/20/90/06/862209006.db2.gz KGXZWNYXPLSRDS-MEBBXXQBSA-N 1 0 300.318 1.686 20 5 DDBDRO COc1cc(N[C@H]2CCO[C@@]3(CC[NH2+]C3)C2)ncc1[N+](=O)[O-] ZINC001155618319 862296721 /nfs/dbraw/zinc/29/67/21/862296721.db2.gz CWDYIFUYECKSQO-HZMBPMFUSA-N 1 0 308.338 1.321 20 5 DDBDRO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC001327673758 862373527 /nfs/dbraw/zinc/37/35/27/862373527.db2.gz MHOYFYNWNVZOBW-KBPBESRZSA-N 1 0 320.393 1.996 20 5 DDBDRO CC(C)(C)C(=O)C(=O)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001155899895 862540477 /nfs/dbraw/zinc/54/04/77/862540477.db2.gz ZZBKJQYDZGNLEZ-UHFFFAOYSA-N 1 0 321.377 1.806 20 5 DDBDRO O=[N+]([O-])c1ccn(C2CC[NH+](CC3CCC(O)CC3)CC2)n1 ZINC001328409128 862955176 /nfs/dbraw/zinc/95/51/76/862955176.db2.gz ADXGCMVKNXVFHA-UHFFFAOYSA-N 1 0 308.382 1.979 20 5 DDBDRO CCn1c([C@@H](C)[N+](=O)[O-])nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001121794116 858597966 /nfs/dbraw/zinc/59/79/66/858597966.db2.gz WMZWWXYOIOLOHX-GFCCVEGCSA-N 1 0 310.402 1.556 20 5 DDBDRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)CCc2cc(F)ccc2[N+](=O)[O-])C1 ZINC001121945374 858642026 /nfs/dbraw/zinc/64/20/26/858642026.db2.gz WSRLGFZLLZYIOX-ZWNOBZJWSA-N 1 0 309.341 1.910 20 5 DDBDRO C[C@@H]([NH3+])CONC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001122100577 858686302 /nfs/dbraw/zinc/68/63/02/858686302.db2.gz XICBPLADEWQQKL-ZCFIWIBFSA-N 1 0 307.228 1.622 20 5 DDBDRO C[C@@H]1CC[C@H](NC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C[NH2+]1 ZINC001122171349 858702548 /nfs/dbraw/zinc/70/25/48/858702548.db2.gz JMPLVOJNYBNEII-DZGBDDFRSA-N 1 0 303.362 1.955 20 5 DDBDRO C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC001122230559 858719126 /nfs/dbraw/zinc/71/91/26/858719126.db2.gz DZHRUPFBRPOJDE-OWOXYTMYSA-N 1 0 303.362 1.970 20 5 DDBDRO C[C@H](CNC(=O)[C@H](F)[C@@H]1CC[NH2+]C1)c1ccccc1[N+](=O)[O-] ZINC001122353763 858774446 /nfs/dbraw/zinc/77/44/46/858774446.db2.gz KOGJYPHWBRMKLZ-JTNHKYCSSA-N 1 0 309.341 1.762 20 5 DDBDRO O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1ccncc1 ZINC001122590932 858901434 /nfs/dbraw/zinc/90/14/34/858901434.db2.gz YKRWOUROCJUYAS-UHFFFAOYSA-N 1 0 306.347 1.571 20 5 DDBDRO Cc1cc(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)n(C)n1 ZINC001124256870 859655190 /nfs/dbraw/zinc/65/51/90/859655190.db2.gz ILAZCFGRYNVWPR-UHFFFAOYSA-N 1 0 317.349 1.156 20 5 DDBDRO CCCCOCC(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001125077885 859890194 /nfs/dbraw/zinc/89/01/94/859890194.db2.gz HTGYHTXUVCSLNV-UHFFFAOYSA-N 1 0 315.395 1.679 20 5 DDBDRO CC(C)OC(=O)C[C@@H](OCCC[N+](C)(C)C)C(=O)OC(C)C ZINC001224623636 881475405 /nfs/dbraw/zinc/47/54/05/881475405.db2.gz OMKXGPMBQKONGX-CQSZACIVSA-N 1 0 318.434 1.761 20 5 DDBDRO COc1nc(C)c([N+](=O)[O-])c(N2C[C@H]3CCC[N@H+](C)[C@@H]3C2)n1 ZINC001157263706 863691500 /nfs/dbraw/zinc/69/15/00/863691500.db2.gz BLGDZVAIBDNVEI-GHMZBOCLSA-N 1 0 307.354 1.232 20 5 DDBDRO [NH3+]Cc1cnn(-c2ccc(-c3ccc(F)c([N+](=O)[O-])c3)nn2)c1 ZINC001157478274 863852727 /nfs/dbraw/zinc/85/27/27/863852727.db2.gz NIBHYYRTPAJRPT-UHFFFAOYSA-N 1 0 314.280 1.835 20 5 DDBDRO CSC1(CNc2c(C)cncc2[N+](=O)[O-])CC[NH+](C)CC1 ZINC001330042607 864040842 /nfs/dbraw/zinc/04/08/42/864040842.db2.gz UYJIXWJLVQWMRT-UHFFFAOYSA-N 1 0 310.423 1.959 20 5 DDBDRO O=C(NCCC[NH2+]Cc1cc2ccccc2o1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157761598 864110676 /nfs/dbraw/zinc/11/06/76/864110676.db2.gz SUIGWNLBLYOIJV-ZIAGYGMSSA-N 1 0 317.345 1.694 20 5 DDBDRO O=C(NCCC[NH2+]Cc1ccc(C2CC2)cc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157767040 864118036 /nfs/dbraw/zinc/11/80/36/864118036.db2.gz DWVUGRSSCQYQDG-HZPDHXFCSA-N 1 0 317.389 1.825 20 5 DDBDRO CC(C)(C)c1cnc(C[NH2+]CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])o1 ZINC001157775629 864130937 /nfs/dbraw/zinc/13/09/37/864130937.db2.gz SNENOHRQDORGGT-GHMZBOCLSA-N 1 0 324.381 1.233 20 5 DDBDRO C[NH2+]CCN(c1cc([N+](=O)[O-])cc(Cl)[n+]1[O-])C(C)(C)C ZINC001157830425 864175994 /nfs/dbraw/zinc/17/59/94/864175994.db2.gz VPRJBALUBVEYIP-UHFFFAOYSA-N 1 0 302.762 1.706 20 5 DDBDRO [NH3+][C@@H]1CCc2nn(-c3ncnc4cc([N+](=O)[O-])ccc43)cc2C1 ZINC001157986871 864332707 /nfs/dbraw/zinc/33/27/07/864332707.db2.gz BDHHIHJBEGJJNJ-SNVBAGLBSA-N 1 0 310.317 1.540 20 5 DDBDRO CCN(c1c(Cl)[n+]([O-])ccc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC001158204509 864487274 /nfs/dbraw/zinc/48/72/74/864487274.db2.gz FVXUTFPWUWPJEN-VIFPVBQESA-N 1 0 300.746 1.460 20 5 DDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)C1CC[NH2+]CC1 ZINC001331027350 864786958 /nfs/dbraw/zinc/78/69/58/864786958.db2.gz LKIDKGMARSUHQO-SNVBAGLBSA-N 1 0 306.366 1.754 20 5 DDBDRO CO[C@@H]1CN(C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)C[C@@H]1[NH3+] ZINC001158705302 864828818 /nfs/dbraw/zinc/82/88/18/864828818.db2.gz HYWUHMWZHWSSMK-DTWKUNHWSA-N 1 0 322.699 1.350 20 5 DDBDRO C[N@H+](C1CN(c2ccc3[nH]cc([N+](=O)[O-])c3n2)C1)[C@H]1CCOC1 ZINC001158736465 864871003 /nfs/dbraw/zinc/87/10/03/864871003.db2.gz NBWQIINVNBNXDG-JTQLQIEISA-N 1 0 317.349 1.380 20 5 DDBDRO COC(=O)c1ccnc(NC(C)(C)CC[NH+](C)C)c1[N+](=O)[O-] ZINC001158760627 864883193 /nfs/dbraw/zinc/88/31/93/864883193.db2.gz GAVRVTLBSVGZGX-UHFFFAOYSA-N 1 0 310.354 1.919 20 5 DDBDRO [NH3+]CCOCCOCCNc1nccc2ccc([N+](=O)[O-])cc21 ZINC001159445262 865301188 /nfs/dbraw/zinc/30/11/88/865301188.db2.gz IHHDKXKOMCVORW-UHFFFAOYSA-N 1 0 320.349 1.547 20 5 DDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC001332401690 865814321 /nfs/dbraw/zinc/81/43/21/865814321.db2.gz KHYRDRSRDPNIIW-GJZGRUSLSA-N 1 0 318.377 1.945 20 5 DDBDRO COc1nc(Nc2cccc(CC[NH3+])c2)nc(OC)c1[N+](=O)[O-] ZINC001161079041 866356945 /nfs/dbraw/zinc/35/69/45/866356945.db2.gz NNUCDACVKMZOJF-UHFFFAOYSA-N 1 0 319.321 1.647 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(OCC(N)=O)CC1 ZINC001323551044 866683091 /nfs/dbraw/zinc/68/30/91/866683091.db2.gz LGLHWRCZUHRYAE-LBPRGKRZSA-N 1 0 321.377 1.931 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cc(F)c(F)cc1[N+](=O)[O-] ZINC001225780158 882021957 /nfs/dbraw/zinc/02/19/57/882021957.db2.gz WISGYWCQVMTYMY-MRVPVSSYSA-N 1 0 319.284 1.236 20 5 DDBDRO C[NH2+]C(C)(C)CNc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC001333686168 866936928 /nfs/dbraw/zinc/93/69/28/866936928.db2.gz WFWCDRYSXXAYQM-UHFFFAOYSA-N 1 0 304.350 1.857 20 5 DDBDRO C[C@@H]1CC[N@H+](CCNC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001333874568 867101774 /nfs/dbraw/zinc/10/17/74/867101774.db2.gz BCYJXLWQOYJSRJ-GFCCVEGCSA-N 1 0 318.377 1.962 20 5 DDBDRO NC(=O)c1ccnc(N2C[C@@H]([NH3+])Cc3ccccc32)c1[N+](=O)[O-] ZINC001162847192 867863347 /nfs/dbraw/zinc/86/33/47/867863347.db2.gz JPSKDEUWWHRWDX-JTQLQIEISA-N 1 0 313.317 1.110 20 5 DDBDRO O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1NC1CC2(C1)CCC[NH2+]C2 ZINC001162982040 867972302 /nfs/dbraw/zinc/97/23/02/867972302.db2.gz KFDXNWDEKIMHRY-UHFFFAOYSA-N 1 0 312.757 1.826 20 5 DDBDRO CNc1ccc([N+](=O)[O-])cc1NC(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC001163063115 868048449 /nfs/dbraw/zinc/04/84/49/868048449.db2.gz YFDYYDWDWYESQF-OAHLLOKOSA-N 1 0 322.365 1.422 20 5 DDBDRO CCOc1cnc(NC[C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)c([N+](=O)[O-])c1 ZINC001163093992 868083807 /nfs/dbraw/zinc/08/38/07/868083807.db2.gz DLCCEWINFBLMMA-IRUJWGPZSA-N 1 0 308.338 1.035 20 5 DDBDRO O=[N+]([O-])c1c2[nH]cnc2ccc1NC[C@@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001163108185 868106851 /nfs/dbraw/zinc/10/68/51/868106851.db2.gz LSEKUFROPIWNSI-KBVBSXBZSA-N 1 0 303.322 1.117 20 5 DDBDRO COc1cnc(NC[C@H]2CO[C@]3(C2)CCC[NH2+]C3)cc1[N+](=O)[O-] ZINC001163277389 868299948 /nfs/dbraw/zinc/29/99/48/868299948.db2.gz FNGSKQAGGBCWTE-NHYWBVRUSA-N 1 0 322.365 1.569 20 5 DDBDRO CCOc1cnc(N[C@@H]2CCO[C@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC001163310394 868338917 /nfs/dbraw/zinc/33/89/17/868338917.db2.gz LIHQCZOCPXFVFL-IAQYHMDHSA-N 1 0 322.365 1.712 20 5 DDBDRO COc1nc(C)nc(N[C@@H]2CCO[C@]3(CC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC001163314272 868344750 /nfs/dbraw/zinc/34/47/50/868344750.db2.gz ZHJUZCWUEQHIFJ-QMTHXVAHSA-N 1 0 323.353 1.025 20 5 DDBDRO O=[N+]([O-])c1cc(N[C@H]2CCO[C@]3(CC[NH2+]C3)C2)cn2ccnc12 ZINC001163320887 868349990 /nfs/dbraw/zinc/34/99/90/868349990.db2.gz AIKHUCSLHYGIKK-XHDPSFHLSA-N 1 0 317.349 1.566 20 5 DDBDRO Cc1nnc(C[NH3+])n1-c1ccc(-c2ccccc2[N+](=O)[O-])nn1 ZINC001163351219 868386327 /nfs/dbraw/zinc/38/63/27/868386327.db2.gz MTPHMJTZPQAHND-UHFFFAOYSA-N 1 0 311.305 1.400 20 5 DDBDRO COc1ccc([N+](=O)[O-])nc1NCC1([NH+](C)C)CCN(C)CC1 ZINC001164212003 869017943 /nfs/dbraw/zinc/01/79/43/869017943.db2.gz VDKNDEFCWPNRJW-UHFFFAOYSA-N 1 0 323.397 1.436 20 5 DDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N1CCC[C@]12CC[NH2+]C2 ZINC001336839815 869175307 /nfs/dbraw/zinc/17/53/07/869175307.db2.gz OOTPZNWIKOJJCV-MRXNPFEDSA-N 1 0 318.377 1.675 20 5 DDBDRO Cc1nc(Cl)nc(N2CC[C@]3(C2)CCC[NH2+]C3)c1[N+](=O)[O-] ZINC001165236197 869455094 /nfs/dbraw/zinc/45/50/94/869455094.db2.gz JTLNEIRCLAPUKW-CYBMUJFWSA-N 1 0 311.773 1.927 20 5 DDBDRO O=[N+]([O-])c1ccc2ncc(N3CC[C@@H]4[NH2+]CCO[C@H]4C3)nc2c1 ZINC001165270045 869481818 /nfs/dbraw/zinc/48/18/18/869481818.db2.gz VSGSWXWGCMPZON-JSGCOSHPSA-N 1 0 315.333 1.105 20 5 DDBDRO COc1nc(C)c([N+](=O)[O-])c(N2CCC(C3C[NH2+]C3)CC2)n1 ZINC001165410575 869576524 /nfs/dbraw/zinc/57/65/24/869576524.db2.gz JVMHFJSWCFCUOU-UHFFFAOYSA-N 1 0 307.354 1.138 20 5 DDBDRO O=C(C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)NCc1ccco1 ZINC001338408579 869964923 /nfs/dbraw/zinc/96/49/23/869964923.db2.gz QZLIMGZTQMZGOC-AWEZNQCLSA-N 1 0 319.317 1.127 20 5 DDBDRO COC(=O)c1cc(OC)c(OC2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC001226362666 882388382 /nfs/dbraw/zinc/38/83/82/882388382.db2.gz XSKXLKLEJBQNAG-UHFFFAOYSA-N 1 0 324.333 1.863 20 5 DDBDRO N=c1sc2c(n1-c1nccc(Cl)c1[N+](=O)[O-])CC[NH2+]C2 ZINC001166859425 870321148 /nfs/dbraw/zinc/32/11/48/870321148.db2.gz FNUZINNGRYEOEB-UHFFFAOYSA-N 1 0 311.754 1.621 20 5 DDBDRO [NH3+]C[C@H]1CN(c2nc(Cl)c(Cl)cc2[N+](=O)[O-])CCO1 ZINC001166938150 870399539 /nfs/dbraw/zinc/39/95/39/870399539.db2.gz RAOLGZCIMQDBIN-LURJTMIESA-N 1 0 307.137 1.461 20 5 DDBDRO [NH3+][C@H]1CCN(c2cnc3ccc([N+](=O)[O-])cc3n2)CC1(F)F ZINC001166960327 870422327 /nfs/dbraw/zinc/42/23/27/870422327.db2.gz OPZPKNJQSOCMDH-NSHDSACASA-N 1 0 309.276 1.711 20 5 DDBDRO CC[N@@H+]1CC[C@@H](Oc2cc([N+](=O)[O-])c(C(=O)OC)cc2OC)C1 ZINC001226431668 882426492 /nfs/dbraw/zinc/42/64/92/882426492.db2.gz QAKZBNILOSUARI-SNVBAGLBSA-N 1 0 324.333 1.863 20 5 DDBDRO C[N@@H+]1C[C@@H]2CC[C@H](Nc3ccc([N+](=O)[O-])c4nonc43)[C@@H]2C1 ZINC001339997588 870830813 /nfs/dbraw/zinc/83/08/13/870830813.db2.gz DRMXPZKIRXRUST-AEJSXWLSSA-N 1 0 303.322 1.883 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC2(C[NH2+]C2)CC1 ZINC001340574605 871203904 /nfs/dbraw/zinc/20/39/04/871203904.db2.gz WBWMKWUKDZGDOO-UHFFFAOYSA-N 1 0 305.334 1.429 20 5 DDBDRO NC(=O)c1cc(NC[C@H]2C[NH+]3CCC2CC3)ccc1[N+](=O)[O-] ZINC001307230420 871413000 /nfs/dbraw/zinc/41/30/00/871413000.db2.gz QQLOOXDPEXPITM-NSHDSACASA-N 1 0 304.350 1.447 20 5 DDBDRO CC(C)[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C(C)(C)O ZINC001307751257 871451250 /nfs/dbraw/zinc/45/12/50/871451250.db2.gz FTKYITRSJFYLOC-ZDUSSCGKSA-N 1 0 309.366 1.579 20 5 DDBDRO C[C@@](CO)([NH2+]C[C@H]1CCc2ncnn21)c1cccc([N+](=O)[O-])c1 ZINC001308000380 871461561 /nfs/dbraw/zinc/46/15/61/871461561.db2.gz UFLZTXFQVUARMK-HIFRSBDPSA-N 1 0 317.349 1.171 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCCC[C@@]23CCCOC3)c1 ZINC001308171581 871478271 /nfs/dbraw/zinc/47/82/71/871478271.db2.gz VKCLWKIADIORFB-CABCVRRESA-N 1 0 324.381 1.187 20 5 DDBDRO [NH3+]C[C@@H]1CC2(CO1)CCN(C(=O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC001341096577 871499978 /nfs/dbraw/zinc/49/99/78/871499978.db2.gz PDAMKDHDOGOLIZ-AWEZNQCLSA-N 1 0 319.361 1.565 20 5 DDBDRO C[C@@H]1C[NH2+][C@@H](C)[C@H](C)N1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC001341141123 871524558 /nfs/dbraw/zinc/52/45/58/871524558.db2.gz PWTLZCCQOQFRSO-AGIUHOORSA-N 1 0 320.393 1.994 20 5 DDBDRO O=C(NCC[C@H]1CSCC[NH2+]1)c1cc(F)ccc1[N+](=O)[O-] ZINC001341146489 871526775 /nfs/dbraw/zinc/52/67/75/871526775.db2.gz DCWJGYFEYBFKQK-JTQLQIEISA-N 1 0 313.354 1.559 20 5 DDBDRO CC1(C)C[NH2+]C[C@@H]1NC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001341347955 871617954 /nfs/dbraw/zinc/61/79/54/871617954.db2.gz RYPUAJYLINNFAZ-MJBXVCDLSA-N 1 0 303.362 1.813 20 5 DDBDRO COc1cc(C(=O)N2CCC[C@@H]3CC[C@@]32C[NH3+])ccc1[N+](=O)[O-] ZINC001341439524 871660865 /nfs/dbraw/zinc/66/08/65/871660865.db2.gz IWVNQNBPNVFXKN-MLGOLLRUSA-N 1 0 319.361 1.947 20 5 DDBDRO [NH3+]C[C@@H]1CC[C@H](NC(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC001341797820 871830864 /nfs/dbraw/zinc/83/08/64/871830864.db2.gz NRBRUFOQKYLUOA-WCUVEOEZSA-N 1 0 303.362 1.942 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N1CCC2(C[NH2+]C2)CC1 ZINC001342071843 871986845 /nfs/dbraw/zinc/98/68/45/871986845.db2.gz UEASMHOWXCTGEK-UHFFFAOYSA-N 1 0 305.334 1.186 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCCC[C@]12CCC[NH2+]C2 ZINC001342135234 872028684 /nfs/dbraw/zinc/02/86/84/872028684.db2.gz KVBKOOWJNOLVLR-OAHLLOKOSA-N 1 0 321.381 1.234 20 5 DDBDRO COc1cc(C(=O)N[C@H]2C[NH2+]CC23CC3)cc([N+](=O)[O-])c1C ZINC001342201887 872065485 /nfs/dbraw/zinc/06/54/85/872065485.db2.gz RHSBYTDLNLRYQQ-ZDUSSCGKSA-N 1 0 305.334 1.394 20 5 DDBDRO CC(C)(CCC(=O)OC[C@H]1CC[N@@H+]1C1CCOCC1)[N+](=O)[O-] ZINC001345667587 873470253 /nfs/dbraw/zinc/47/02/53/873470253.db2.gz ZNGWXXBCZRJNRW-CYBMUJFWSA-N 1 0 314.382 1.618 20 5 DDBDRO [NH3+][C@@H]1CCCC[C@@H]1C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC001345992763 873585189 /nfs/dbraw/zinc/58/51/89/873585189.db2.gz JWYIJOUYNGBHLK-NWDGAFQWSA-N 1 0 306.366 1.640 20 5 DDBDRO C[C@H](CNC(=O)N1CCC[NH2+]CC1)c1ccccc1[N+](=O)[O-] ZINC001346674569 873845213 /nfs/dbraw/zinc/84/52/13/873845213.db2.gz CTTBXKPGDKELGN-GFCCVEGCSA-N 1 0 306.366 1.703 20 5 DDBDRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC001348998645 874915161 /nfs/dbraw/zinc/91/51/61/874915161.db2.gz MLTKTYAHMOTCFZ-NEPJUHHUSA-N 1 0 322.340 1.625 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ncc(Cl)cc1Cl ZINC001227180093 882896104 /nfs/dbraw/zinc/89/61/04/882896104.db2.gz DQHUHLXCHSWTBW-SECBINFHSA-N 1 0 308.185 1.751 20 5 DDBDRO C[C@H](C(=O)OCc1cn(C)nc1[N+](=O)[O-])[NH+]1[C@H](C)CC[C@H]1C ZINC001349972668 875483084 /nfs/dbraw/zinc/48/30/84/875483084.db2.gz WZADWBDAQNETCY-GMTAPVOTSA-N 1 0 310.354 1.633 20 5 DDBDRO CCC[NH+]1CCC(N(C)c2nnc([C@H](C)[N+](=O)[O-])n2C)CC1 ZINC001350588502 875772573 /nfs/dbraw/zinc/77/25/73/875772573.db2.gz OVJVAHLKEIDPRE-NSHDSACASA-N 1 0 310.402 1.463 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@H]2COC[C@H]2C2CC2)c1 ZINC001353379126 877288520 /nfs/dbraw/zinc/28/85/20/877288520.db2.gz ZKIZCELQAUFULP-KBMXLJTQSA-N 1 0 322.361 1.349 20 5 DDBDRO Cc1cc(O[C@@H]2C[C@H]3C[NH2+]CCN3C2)c(C)c(C)c1[N+](=O)[O-] ZINC001218108009 877400540 /nfs/dbraw/zinc/40/05/40/877400540.db2.gz YVPSQBGJBGEAPU-UONOGXRCSA-N 1 0 305.378 1.945 20 5 DDBDRO C[C@H]1CN(C(=O)CCOc2ccccc2[N+](=O)[O-])CC[C@H]1C[NH3+] ZINC001355063674 878406158 /nfs/dbraw/zinc/40/61/58/878406158.db2.gz AATJMWVQFVKBHI-STQMWFEESA-N 1 0 321.377 1.807 20 5 DDBDRO CCOc1ccc(C(=O)N[C@@H]2C[NH2+]CC23CC3)cc1[N+](=O)[O-] ZINC001356473210 879071233 /nfs/dbraw/zinc/07/12/33/879071233.db2.gz NONWMSYEFVMLIQ-CYBMUJFWSA-N 1 0 305.334 1.475 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CO[C@H]1C[C@@H]2CC(=O)C[C@H]1[N@@H+]2C ZINC001223103957 880831370 /nfs/dbraw/zinc/83/13/70/880831370.db2.gz ISTDGUCOHHKEAT-BJJXKVORSA-N 1 0 320.345 1.924 20 5 DDBDRO COC(=O)c1cc(CO[C@H](C)C[N+](C)(C)C)cc(C(=O)OC)c1 ZINC001224108930 881219694 /nfs/dbraw/zinc/21/96/94/881219694.db2.gz GJJWYPMQJYHSQX-GFCCVEGCSA-N 1 0 324.397 1.871 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cnc2ccc(F)cc2c1 ZINC001230593505 884629464 /nfs/dbraw/zinc/62/94/64/884629464.db2.gz UFFWRFRAVGWVPN-CYBMUJFWSA-N 1 0 307.345 1.737 20 5 DDBDRO Cc1ccc2nc(C)nc(OC(=O)C[C@@H](O)C[N+](C)(C)C)c2c1 ZINC001233998559 887537695 /nfs/dbraw/zinc/53/76/95/887537695.db2.gz LSBFPEKPKDXOLQ-CYBMUJFWSA-N 1 0 318.397 1.609 20 5 DDBDRO COc1ccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)cc1Cl ZINC001234218893 887760103 /nfs/dbraw/zinc/76/01/03/887760103.db2.gz ZFKVDXUVQVLVDP-SNVBAGLBSA-N 1 0 302.778 1.711 20 5 DDBDRO CC[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C(N)=O ZINC001254464413 896454335 /nfs/dbraw/zinc/45/43/35/896454335.db2.gz ASYHUPQCKBTYLV-AWEZNQCLSA-N 1 0 306.366 1.417 20 5 DDBDRO O=C1NC[C@H](C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)O1 ZINC001254472693 896455884 /nfs/dbraw/zinc/45/58/84/896455884.db2.gz KFUBSFXJRGXVQD-AWEZNQCLSA-N 1 0 320.349 1.262 20 5 DDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@]1(CN)CN2CCC1CC2 ZINC001254548204 896499430 /nfs/dbraw/zinc/49/94/30/896499430.db2.gz LFQGIEMRFGUBKI-GUYCJALGSA-N 1 0 318.421 1.539 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N1CC[C@@H](S(C)(=O)=O)C1 ZINC001254563360 896502169 /nfs/dbraw/zinc/50/21/69/896502169.db2.gz WVIWBXLZRWLGTB-DGCLKSJQSA-N 1 0 312.391 1.645 20 5 DDBDRO O=c1[nH][nH]cc1CCC[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254573339 896507914 /nfs/dbraw/zinc/50/79/14/896507914.db2.gz XYVDBFLKCMEKNX-WCQYABFASA-N 1 0 302.334 1.164 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]C1CCN(C3COC3)CC1)C2 ZINC001254577746 896511279 /nfs/dbraw/zinc/51/12/79/896511279.db2.gz GSQHBKKXUPMBOO-OAHLLOKOSA-N 1 0 317.389 1.515 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]C1CCS(=O)(=O)CC1)C2 ZINC001254580531 896513422 /nfs/dbraw/zinc/51/34/22/896513422.db2.gz DNXWUDHMXKHMIB-CYBMUJFWSA-N 1 0 310.375 1.229 20 5 DDBDRO CN1CCC2(C[NH+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)C1=O ZINC001254611074 896529844 /nfs/dbraw/zinc/52/98/44/896529844.db2.gz UMBTVJBJPUROBV-AWEZNQCLSA-N 1 0 301.346 1.226 20 5 DDBDRO COc1cc(N2CCC([NH2+]CC[C@H](C)O)CC2)ccc1[N+](=O)[O-] ZINC001256101655 897285753 /nfs/dbraw/zinc/28/57/53/897285753.db2.gz ODDZBOWAAMYJHE-LBPRGKRZSA-N 1 0 323.393 1.933 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]1CCC[N@@H+]1C1CC1 ZINC000278361394 214115901 /nfs/dbraw/zinc/11/59/01/214115901.db2.gz AWAZFSUSKFNMHZ-CQSZACIVSA-N 1 0 319.361 1.846 20 5 DDBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3C[C@@H](O)[C@H](O)C3)s2)cc1 ZINC000278435396 214151742 /nfs/dbraw/zinc/15/17/42/214151742.db2.gz UQKGWDYLRUQTNG-ZIAGYGMSSA-N 1 0 320.370 1.861 20 5 DDBDRO Cc1n[nH]c(C(=O)NCC2CC[NH+](C3CC3)CC2)c1[N+](=O)[O-] ZINC000278589151 214257586 /nfs/dbraw/zinc/25/75/86/214257586.db2.gz UIZFUVMSIPZVRF-UHFFFAOYSA-N 1 0 307.354 1.231 20 5 DDBDRO C[C@H]([NH2+]CCCS(=O)(=O)N(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000451109818 231011446 /nfs/dbraw/zinc/01/14/46/231011446.db2.gz ZGBUYCQCDFKLHP-NSHDSACASA-N 1 0 315.395 1.527 20 5 DDBDRO O=C(NC[C@H]1CCCC[N@H+]1CCO)c1ccccc1[N+](=O)[O-] ZINC000452391451 231375616 /nfs/dbraw/zinc/37/56/16/231375616.db2.gz QBKHTUIDYDBQRK-GFCCVEGCSA-N 1 0 307.350 1.171 20 5 DDBDRO C[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C[C@@H]1CCCO1 ZINC000181562071 199317457 /nfs/dbraw/zinc/31/74/57/199317457.db2.gz ZGOFVNJCMWRHLN-STQMWFEESA-N 1 0 310.350 1.445 20 5 DDBDRO COC[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000181579301 199321626 /nfs/dbraw/zinc/32/16/26/199321626.db2.gz RZXDPEUMVWNFFJ-HIFRSBDPSA-N 1 0 310.350 1.349 20 5 DDBDRO C[N@@H+]1CC[C@@H](CNC(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000491745139 529792321 /nfs/dbraw/zinc/79/23/21/529792321.db2.gz NTIKCVAUNSIPHG-TZNOJPMFSA-N 1 0 307.325 1.815 20 5 DDBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000286647706 219102103 /nfs/dbraw/zinc/10/21/03/219102103.db2.gz BOHVDUBEHJGORS-XHDPSFHLSA-N 1 0 318.377 1.876 20 5 DDBDRO CN(CC(=O)N[C@@H](C[NH3+])C1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000423972681 529836204 /nfs/dbraw/zinc/83/62/04/529836204.db2.gz ZZJUCVVMPVUWCJ-ZDUSSCGKSA-N 1 0 320.393 1.665 20 5 DDBDRO C[N@H+](CCCCNC(=O)COc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000457203335 529882893 /nfs/dbraw/zinc/88/28/93/529882893.db2.gz OLWOPFMMUGWSKS-UHFFFAOYSA-N 1 0 321.377 1.964 20 5 DDBDRO C[N@@H+]1CCCN(C(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000491874426 530053177 /nfs/dbraw/zinc/05/31/77/530053177.db2.gz VODGKKADEZEMHZ-XQRVVYSFSA-N 1 0 307.325 1.911 20 5 DDBDRO CN1CC[NH+](CCC(C)(C)Nc2ncccc2[N+](=O)[O-])CC1 ZINC000302265131 530072209 /nfs/dbraw/zinc/07/22/09/530072209.db2.gz QODOCUDEQVIYQL-UHFFFAOYSA-N 1 0 307.398 1.818 20 5 DDBDRO C[C@@H]1C[C@H](NC(=O)CNc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000330915848 232160993 /nfs/dbraw/zinc/16/09/93/232160993.db2.gz URUDUWLRVLFSNW-VXGBXAGGSA-N 1 0 306.366 1.606 20 5 DDBDRO CC[N@@H+]1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000286770072 219157119 /nfs/dbraw/zinc/15/71/19/219157119.db2.gz ZUBHWUABKQBPCV-UONOGXRCSA-N 1 0 323.393 1.361 20 5 DDBDRO COC[C@@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)OC ZINC000272639975 210043947 /nfs/dbraw/zinc/04/39/47/210043947.db2.gz CKKKPUPSEDPZTQ-LLVKDONJSA-N 1 0 320.292 1.947 20 5 DDBDRO Cn1cncc1CC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000459379233 233147268 /nfs/dbraw/zinc/14/72/68/233147268.db2.gz PDLGEGNAELSWTK-GFCCVEGCSA-N 1 0 316.365 1.452 20 5 DDBDRO C[N@@H+]1CCC[C@H]1CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000181883895 186214848 /nfs/dbraw/zinc/21/48/48/186214848.db2.gz HQTWBPQFXXAAQZ-JTQLQIEISA-N 1 0 307.306 1.148 20 5 DDBDRO COCC[N@H+](C)CCCNC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000041423263 352307324 /nfs/dbraw/zinc/30/73/24/352307324.db2.gz ZWTYRUDJNXFZED-UHFFFAOYSA-N 1 0 309.366 1.601 20 5 DDBDRO C[C@@H](CNC(=O)Cn1cc([N+](=O)[O-])cn1)[N@@H+]1CCCC[C@@H]1C ZINC000043085834 352360268 /nfs/dbraw/zinc/36/02/68/352360268.db2.gz FKWORRPFEYYIDH-RYUDHWBXSA-N 1 0 309.370 1.170 20 5 DDBDRO O=C(NCC1([NH+]2CCSCC2)CCCC1)[C@@H]1C[C@@H]1[N+](=O)[O-] ZINC000044521418 352387495 /nfs/dbraw/zinc/38/74/95/352387495.db2.gz FNIXITJXMUASFJ-NEPJUHHUSA-N 1 0 313.423 1.129 20 5 DDBDRO Cc1cccc(C[NH+]2CCC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1 ZINC000053506618 352659235 /nfs/dbraw/zinc/65/92/35/352659235.db2.gz DXIBHCWGSSQEQO-HZPDHXFCSA-N 1 0 317.389 1.741 20 5 DDBDRO C[C@H]1C[N@H+](C)CCN1C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000491577356 234207354 /nfs/dbraw/zinc/20/73/54/234207354.db2.gz VRKSHLLSOWRYBQ-MALLOTDXSA-N 1 0 307.325 1.910 20 5 DDBDRO O=[N+]([O-])c1c(NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)nc2sccn21 ZINC000064337432 352934268 /nfs/dbraw/zinc/93/42/68/352934268.db2.gz XYHZFJRXEWLBRM-UWVGGRQHSA-N 1 0 323.378 1.579 20 5 DDBDRO CCOc1ccc(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000067703310 353063755 /nfs/dbraw/zinc/06/37/55/353063755.db2.gz DPLVMRLCLLUMMM-GFCCVEGCSA-N 1 0 319.361 1.960 20 5 DDBDRO CC[C@H]1C(=O)NCCN1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000173778018 198250705 /nfs/dbraw/zinc/25/07/05/198250705.db2.gz QIFZCGMVMVJJLQ-LBPRGKRZSA-N 1 0 323.349 1.193 20 5 DDBDRO COc1c(C(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)cccc1[N+](=O)[O-] ZINC000332012028 234386673 /nfs/dbraw/zinc/38/66/73/234386673.db2.gz SGHRPCRYVRAJPQ-RISCZKNCSA-N 1 0 319.361 1.770 20 5 DDBDRO NS(=O)(=O)C[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000074288475 353304981 /nfs/dbraw/zinc/30/49/81/353304981.db2.gz LXODERJXTFFJAO-LBPRGKRZSA-N 1 0 313.379 1.095 20 5 DDBDRO CC[NH+]1CCC(N(C)C(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000075604573 353370760 /nfs/dbraw/zinc/37/07/60/353370760.db2.gz CORZJJUINLBQNP-UHFFFAOYSA-N 1 0 321.377 1.916 20 5 DDBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCc1ncn(C)n1 ZINC000345042723 282905353 /nfs/dbraw/zinc/90/53/53/282905353.db2.gz AXVCQKFUIKZZSD-XYOKQWHBSA-N 1 0 301.350 1.959 20 5 DDBDRO Cn1c(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000345078490 282918282 /nfs/dbraw/zinc/91/82/82/282918282.db2.gz UTRGWQCULUWIKD-AWEZNQCLSA-N 1 0 316.361 1.966 20 5 DDBDRO C[C@@H]1C[N@@H+](C2CCN(C(=O)c3cc([N+](=O)[O-])c[nH]3)CC2)CCO1 ZINC000079427309 353560623 /nfs/dbraw/zinc/56/06/23/353560623.db2.gz DRTZLMWKWCLPDI-LLVKDONJSA-N 1 0 322.365 1.248 20 5 DDBDRO C[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@@H]1CCC[C@@H]1O ZINC000080466981 353609511 /nfs/dbraw/zinc/60/95/11/353609511.db2.gz MJJOEPKTTUQPIO-HIFRSBDPSA-N 1 0 319.361 1.329 20 5 DDBDRO COCCC[N@H+](C)CCNC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000175171686 198438928 /nfs/dbraw/zinc/43/89/28/198438928.db2.gz NQEDNZDSGCMDOJ-UHFFFAOYSA-N 1 0 324.381 1.362 20 5 DDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000124942362 354043254 /nfs/dbraw/zinc/04/32/54/354043254.db2.gz IUWWQPUVIIVHSU-MNOVXSKESA-N 1 0 313.379 1.451 20 5 DDBDRO C[NH+](C)CCn1cc(NC(=O)c2ccc(F)cc2[N+](=O)[O-])cn1 ZINC000127455845 354064748 /nfs/dbraw/zinc/06/47/48/354064748.db2.gz UQOMYRXZEHONAQ-UHFFFAOYSA-N 1 0 321.312 1.744 20 5 DDBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)C[C@H](O)C1CC1 ZINC000305730642 354471189 /nfs/dbraw/zinc/47/11/89/354471189.db2.gz KIYQMCRENGQLKC-HZMBPMFUSA-N 1 0 307.350 1.625 20 5 DDBDRO CNc1ccc(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000320902353 354530060 /nfs/dbraw/zinc/53/00/60/354530060.db2.gz OIMZLUVEUPDCJB-CYBMUJFWSA-N 1 0 318.377 1.947 20 5 DDBDRO Cc1nc(C)c(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)s1 ZINC000315061517 354490242 /nfs/dbraw/zinc/49/02/42/354490242.db2.gz DKMSAKMRPQLTEV-LLVKDONJSA-N 1 0 311.367 1.015 20 5 DDBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000407313191 354679632 /nfs/dbraw/zinc/67/96/32/354679632.db2.gz OKEBRJUTZMTFFW-HUUCEWRRSA-N 1 0 303.362 1.784 20 5 DDBDRO CCc1ccc(S(=O)(=O)NC[C@H](C)C[NH2+]C)cc1[N+](=O)[O-] ZINC000584719866 354752888 /nfs/dbraw/zinc/75/28/88/354752888.db2.gz PUYQKPXBFDFEPX-SNVBAGLBSA-N 1 0 315.395 1.291 20 5 DDBDRO C[C@@H](NS(=O)(=O)CCC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000601309846 358490567 /nfs/dbraw/zinc/49/05/67/358490567.db2.gz JFAOTZYQTMJTEG-LLVKDONJSA-N 1 0 315.395 1.527 20 5 DDBDRO CO[C@H]1C[C@@H](CN(C)c2nc(C)cc(C)c2[N+](=O)[O-])[N@H+](C)C1 ZINC000585783472 354842275 /nfs/dbraw/zinc/84/22/75/354842275.db2.gz CXDXLTLPIXUHOA-STQMWFEESA-N 1 0 308.382 1.762 20 5 DDBDRO C[C@H](CNc1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C)[NH+](C)C ZINC000587519530 354883352 /nfs/dbraw/zinc/88/33/52/354883352.db2.gz GRUNWJAQRDBWDI-SECBINFHSA-N 1 0 307.354 1.147 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000588862578 354944007 /nfs/dbraw/zinc/94/40/07/354944007.db2.gz GNUWJJLRWMGECZ-KBPBESRZSA-N 1 0 319.361 1.184 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](CO)C[NH+]1CCCC1 ZINC000588867059 354944385 /nfs/dbraw/zinc/94/43/85/354944385.db2.gz IFPMTKKDUBVSPO-GFCCVEGCSA-N 1 0 307.350 1.090 20 5 DDBDRO CCCC[C@@H](C[NH3+])NC(=O)CCn1nc(C)c([N+](=O)[O-])c1C ZINC000236812969 202022183 /nfs/dbraw/zinc/02/21/83/202022183.db2.gz SSKBXOXSKJQUFP-LBPRGKRZSA-N 1 0 311.386 1.432 20 5 DDBDRO C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3N)[C@@H]2C1 ZINC000590444457 355098116 /nfs/dbraw/zinc/09/81/16/355098116.db2.gz LZJTWHXXBUCMKJ-QPUJVOFHSA-N 1 0 308.313 1.092 20 5 DDBDRO O=C(CC[N@@H+](CCCO)C1CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000591014561 355232341 /nfs/dbraw/zinc/23/23/41/355232341.db2.gz QNLUWORAVHPQRK-UHFFFAOYSA-N 1 0 307.350 1.770 20 5 DDBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@H]1CCC[NH2+]CC1 ZINC000591347077 355294427 /nfs/dbraw/zinc/29/44/27/355294427.db2.gz SDLLITFIKDLABF-ZDUSSCGKSA-N 1 0 306.366 1.579 20 5 DDBDRO COc1ccc(CNC(=O)N[C@@H]2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000591346341 355294435 /nfs/dbraw/zinc/29/44/35/355294435.db2.gz MPVCAXCROABKRR-GFCCVEGCSA-N 1 0 322.365 1.545 20 5 DDBDRO [NH3+]C/C=C/CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000591360859 355301023 /nfs/dbraw/zinc/30/10/23/355301023.db2.gz ARXYXDDXJBKDGU-OWOJBTEDSA-N 1 0 304.350 1.784 20 5 DDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000591444762 355313125 /nfs/dbraw/zinc/31/31/25/355313125.db2.gz QXHPDLGJTYIEHJ-OLZOCXBDSA-N 1 0 307.398 1.946 20 5 DDBDRO CN1CCC[C@@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000591733951 355374068 /nfs/dbraw/zinc/37/40/68/355374068.db2.gz QGBIGTMTRCBOTH-GFCCVEGCSA-N 1 0 306.366 1.607 20 5 DDBDRO C[C@]1(c2ccccc2)C[C@H]1[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000591744229 355376393 /nfs/dbraw/zinc/37/63/93/355376393.db2.gz GQVWIPRTKIVGGM-BZUAXINKSA-N 1 0 316.361 1.472 20 5 DDBDRO C[C@H](C[C@@H]1CCOC1)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000591753905 355377358 /nfs/dbraw/zinc/37/73/58/355377358.db2.gz OMMWRTMBOZIBIW-VNHYZAJKSA-N 1 0 324.377 1.739 20 5 DDBDRO CCn1cc(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])cn1 ZINC000591766525 355380931 /nfs/dbraw/zinc/38/09/31/355380931.db2.gz CNGGHEWEIDLNMT-UHFFFAOYSA-N 1 0 317.349 1.930 20 5 DDBDRO CN(CCC[NH3+])C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000591678594 355360422 /nfs/dbraw/zinc/36/04/22/355360422.db2.gz BEUKJGZXYOQQFT-UHFFFAOYSA-N 1 0 306.366 1.616 20 5 DDBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000592217839 355542330 /nfs/dbraw/zinc/54/23/30/355542330.db2.gz YPQFLRPSFWZWQO-MNOVXSKESA-N 1 0 324.385 1.264 20 5 DDBDRO CC(C)[C@H]1CN(C(=O)COc2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000592246378 355546666 /nfs/dbraw/zinc/54/66/66/355546666.db2.gz KVIIJKZTDXOYTA-CQSZACIVSA-N 1 0 307.350 1.430 20 5 DDBDRO Cn1c(C(=O)N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC000592253686 355547682 /nfs/dbraw/zinc/54/76/82/355547682.db2.gz KWOJTHZTBFZVFI-STQMWFEESA-N 1 0 320.393 1.785 20 5 DDBDRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1Cc1cccc([N+](=O)[O-])c1 ZINC000592523768 355611780 /nfs/dbraw/zinc/61/17/80/355611780.db2.gz BJHYJOLYUQYSMX-GFCCVEGCSA-N 1 0 306.366 1.147 20 5 DDBDRO CC[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC[C@@H]1[NH3+] ZINC000592382078 355571188 /nfs/dbraw/zinc/57/11/88/355571188.db2.gz HTUVUAPRPZWZCZ-BDAKNGLRSA-N 1 0 319.408 1.404 20 5 DDBDRO C[C@@H]1CN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC[C@@H]1[NH3+] ZINC000592427678 355580124 /nfs/dbraw/zinc/58/01/24/355580124.db2.gz PPRAOPDABQAEGX-PWSUYJOCSA-N 1 0 307.350 1.535 20 5 DDBDRO CC[C@H]1CN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC[C@H]1[NH3+] ZINC000592545817 355623324 /nfs/dbraw/zinc/62/33/24/355623324.db2.gz XUVXVRKKZKUZEJ-CMPLNLGQSA-N 1 0 309.370 1.112 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[N@H+](C)[C@H](C)[C@@H]2C)c1 ZINC000593019056 355771473 /nfs/dbraw/zinc/77/14/73/355771473.db2.gz DGQLKQOJIFOPFB-NEPJUHHUSA-N 1 0 321.377 1.906 20 5 DDBDRO CC[C@H]1C[N@H+](C)CCN1Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000593032353 355775180 /nfs/dbraw/zinc/77/51/80/355775180.db2.gz YVZCVTSPRQAEBC-AWEZNQCLSA-N 1 0 321.377 1.907 20 5 DDBDRO CCC[C@@H](C)[C@@H](CO)[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000593050202 355780431 /nfs/dbraw/zinc/78/04/31/355780431.db2.gz CUJBHKRQUCRSGD-ZWNOBZJWSA-N 1 0 309.366 1.580 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCC3(CC3(F)F)CC2)c1 ZINC000593077857 355788207 /nfs/dbraw/zinc/78/82/07/355788207.db2.gz UOTPHCZTZAYQJF-NSHDSACASA-N 1 0 316.308 1.273 20 5 DDBDRO C[C@@H]1C[N@H+](C)[C@H](C)[C@@H](C)N1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000593187718 355820071 /nfs/dbraw/zinc/82/00/71/355820071.db2.gz OIVRHKYZESLSSV-JHJVBQTASA-N 1 0 321.377 1.913 20 5 DDBDRO C[NH+](C)C[C@@](C)(O)CNc1ccnc2cc([N+](=O)[O-])ccc21 ZINC000593464360 355893237 /nfs/dbraw/zinc/89/32/37/355893237.db2.gz FCOARRJTINOSER-HNNXBMFYSA-N 1 0 304.350 1.868 20 5 DDBDRO C[C@H]1C[N@H+](CCO)CCN1c1ccnc2cc([N+](=O)[O-])ccc21 ZINC000593483545 355899760 /nfs/dbraw/zinc/89/97/60/355899760.db2.gz ZWHRDRQQQKASHO-LBPRGKRZSA-N 1 0 316.361 1.646 20 5 DDBDRO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])n1C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000594108049 356115399 /nfs/dbraw/zinc/11/53/99/356115399.db2.gz PHOHVBGMMQJNRU-SDDRHHMPSA-N 1 0 324.381 1.161 20 5 DDBDRO C[C@@H](C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)[NH+]1CC(C)C1 ZINC000594346434 356179728 /nfs/dbraw/zinc/17/97/28/356179728.db2.gz MEBOPBYEGKTXHV-LBPRGKRZSA-N 1 0 321.381 1.295 20 5 DDBDRO CO[C@](C)(CO)C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000594507205 356239391 /nfs/dbraw/zinc/23/93/91/356239391.db2.gz AWUJZUKSHMPBSR-SCRDCRAPSA-N 1 0 312.370 1.262 20 5 DDBDRO [NH3+]C1(CNCc2cc3c(cc2[N+](=O)[O-])OCCO3)CCCC1 ZINC000594738025 356302424 /nfs/dbraw/zinc/30/24/24/356302424.db2.gz AFTVCXRCYNHIKI-UHFFFAOYSA-N 1 0 307.350 1.727 20 5 DDBDRO COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000594921134 356355280 /nfs/dbraw/zinc/35/52/80/356355280.db2.gz BURXXYZZIIOFKF-ZLKJLUDKSA-N 1 0 308.334 1.761 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CC[C@H](C)S(=O)(=O)C1 ZINC000594973952 356366953 /nfs/dbraw/zinc/36/69/53/356366953.db2.gz IANVZVCVBCLAKB-AAEUAGOBSA-N 1 0 312.391 1.959 20 5 DDBDRO C[NH2+]C[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000595121110 356386004 /nfs/dbraw/zinc/38/60/04/356386004.db2.gz GXSDNRRVZHQJMF-SECBINFHSA-N 1 0 301.368 1.098 20 5 DDBDRO CS[C@@H]1CN(Cc2onc(C)c2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000595403919 356480517 /nfs/dbraw/zinc/48/05/17/356480517.db2.gz NHAPSZBTMISFLL-GXSJLCMTSA-N 1 0 300.384 1.369 20 5 DDBDRO CC(C)CNC(=O)CCCN1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000595423286 356486900 /nfs/dbraw/zinc/48/69/00/356486900.db2.gz LIGGHILXMBBKFW-UHFFFAOYSA-N 1 0 320.393 1.900 20 5 DDBDRO CC(C)[N@H+](C)C[C@H](O)CN1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000595425005 356487589 /nfs/dbraw/zinc/48/75/89/356487589.db2.gz QUUPAXKJVJIZLP-AWEZNQCLSA-N 1 0 308.382 1.049 20 5 DDBDRO Cc1cc(=O)[nH]c(C(C)(C)[NH2+]CCn2ccc([N+](=O)[O-])n2)n1 ZINC000595516689 356528700 /nfs/dbraw/zinc/52/87/00/356528700.db2.gz AEKUXGRFQSPGOI-UHFFFAOYSA-N 1 0 306.326 1.120 20 5 DDBDRO C[C@@H]1C[C@H]([NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)CCO1 ZINC000595524666 356532979 /nfs/dbraw/zinc/53/29/79/356532979.db2.gz ZWQMZVNLEVZGNJ-CHWSQXEVSA-N 1 0 306.366 1.679 20 5 DDBDRO CNC(=O)[C@@H](C)C[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000081555455 192291066 /nfs/dbraw/zinc/29/10/66/192291066.db2.gz UDQQFZHOAYQJST-NSHDSACASA-N 1 0 322.365 1.156 20 5 DDBDRO CCC[C@H]([NH3+])C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000236828726 202030104 /nfs/dbraw/zinc/03/01/04/202030104.db2.gz VQMCZWYFMGOJPN-AWEZNQCLSA-N 1 0 306.366 1.371 20 5 DDBDRO CCOC(=O)[C@@H]1CC[C@H](C)[N@H+](CCn2ccc([N+](=O)[O-])n2)[C@@H]1C ZINC000595553971 356548149 /nfs/dbraw/zinc/54/81/49/356548149.db2.gz CCCADMYHOMOIBQ-YNEHKIRRSA-N 1 0 324.381 1.843 20 5 DDBDRO CCCc1n[nH]c(C(=O)NC[C@H]([NH3+])c2ccccc2)c1[N+](=O)[O-] ZINC000236884746 202050875 /nfs/dbraw/zinc/05/08/75/202050875.db2.gz AJNRBYYKFRIBRM-NSHDSACASA-N 1 0 317.349 1.700 20 5 DDBDRO O=C1CC[C@H]2C[N@H+](CCOc3cccc([N+](=O)[O-])c3)CC[C@H]2N1 ZINC000595744233 356632259 /nfs/dbraw/zinc/63/22/59/356632259.db2.gz UUBOYUKBTWJOIP-SWLSCSKDSA-N 1 0 319.361 1.574 20 5 DDBDRO C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)C[C@H]1COCCO1 ZINC000595738480 356629492 /nfs/dbraw/zinc/62/94/92/356629492.db2.gz JDHDEEUXBNLMOU-HNNXBMFYSA-N 1 0 310.350 1.711 20 5 DDBDRO C[C@H](O)[C@H]1CCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000595767449 356644653 /nfs/dbraw/zinc/64/46/53/356644653.db2.gz XKZTXERIGOUDCY-YNEHKIRRSA-N 1 0 310.350 1.180 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@H]2C[C@H](O)C23CCC3)c1 ZINC000595776980 356649062 /nfs/dbraw/zinc/64/90/62/356649062.db2.gz DRVOQMMOWITZCJ-SNPRPXQTSA-N 1 0 322.361 1.228 20 5 DDBDRO C[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@]1(C)CO ZINC000595876239 356688603 /nfs/dbraw/zinc/68/86/03/356688603.db2.gz RCSWIXFKNAAHQK-WBMJQRKESA-N 1 0 321.377 1.874 20 5 DDBDRO [NH3+]CC12CC(C1)CN2C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000595945851 356717555 /nfs/dbraw/zinc/71/75/55/356717555.db2.gz PENVVYLOXQWICV-UHFFFAOYSA-N 1 0 316.361 1.732 20 5 DDBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000595991843 356738584 /nfs/dbraw/zinc/73/85/84/356738584.db2.gz LYDXHKGLLHAAOY-YGRLFVJLSA-N 1 0 309.391 1.944 20 5 DDBDRO CCCN1CC[C@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000596067268 356760308 /nfs/dbraw/zinc/76/03/08/356760308.db2.gz YGPNBXUNMFOTCT-KBPBESRZSA-N 1 0 323.393 1.408 20 5 DDBDRO CC[NH+]1CCN(CCNc2cccc(OC)c2[N+](=O)[O-])CC1 ZINC000596074104 356762818 /nfs/dbraw/zinc/76/28/18/356762818.db2.gz RDSUFTVSGQHQNK-UHFFFAOYSA-N 1 0 308.382 1.653 20 5 DDBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCOC2(C[NH2+]C2)C1 ZINC000596097840 356770245 /nfs/dbraw/zinc/77/02/45/356770245.db2.gz HLFXJDDYKAGLOA-UHFFFAOYSA-N 1 0 317.301 1.155 20 5 DDBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000596268993 356838677 /nfs/dbraw/zinc/83/86/77/356838677.db2.gz PRGRALJEKOAPHZ-UHFFFAOYSA-N 1 0 320.393 1.989 20 5 DDBDRO C[C@@H](NCc1nc(C[NH3+])cc(=O)[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000596652052 356942499 /nfs/dbraw/zinc/94/24/99/356942499.db2.gz FQBNJEKXMZKEQX-SECBINFHSA-N 1 0 303.322 1.400 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H]([NH+](C)C)[C@@H]1C ZINC000597699304 357291097 /nfs/dbraw/zinc/29/10/97/357291097.db2.gz JMBXFRHYHGJWHX-GXFFZTMASA-N 1 0 307.350 1.768 20 5 DDBDRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000597858578 357361168 /nfs/dbraw/zinc/36/11/68/357361168.db2.gz NOXNVAOGPGTAPD-LBPRGKRZSA-N 1 0 320.393 1.996 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000597923778 357383762 /nfs/dbraw/zinc/38/37/62/357383762.db2.gz POQMNVMFRCGDEP-NSHDSACASA-N 1 0 309.370 1.089 20 5 DDBDRO Cc1cc(C(=O)NCCN(C)CCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000597989324 357407291 /nfs/dbraw/zinc/40/72/91/357407291.db2.gz CXYWNOKQZPWEDU-UHFFFAOYSA-N 1 0 322.409 1.517 20 5 DDBDRO COC(=O)c1cc(C(=O)NCC[C@@H](C)[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000597995357 357411090 /nfs/dbraw/zinc/41/10/90/357411090.db2.gz FEXQKFMGJVSGMA-SNVBAGLBSA-N 1 0 323.349 1.451 20 5 DDBDRO CCC[N@@H+]1CC[C@@H](NC(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000598342229 357545036 /nfs/dbraw/zinc/54/50/36/357545036.db2.gz KVKWQOOGZHPOQW-CYBMUJFWSA-N 1 0 321.377 1.746 20 5 DDBDRO CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000598343341 357545672 /nfs/dbraw/zinc/54/56/72/357545672.db2.gz VEHOFCURLGNCHU-GFCCVEGCSA-N 1 0 307.350 1.818 20 5 DDBDRO CC(C)(C)[NH2+]CCNc1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC000598593573 357645235 /nfs/dbraw/zinc/64/52/35/357645235.db2.gz SZPTZBUHAZOFJM-UHFFFAOYSA-N 1 0 324.385 1.021 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC([C@@H](C)[NH3+])CC2)c1 ZINC000178810821 198934849 /nfs/dbraw/zinc/93/48/49/198934849.db2.gz JEGWYSNTPVJZOF-SNVBAGLBSA-N 1 0 307.350 1.803 20 5 DDBDRO O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000598561308 357633073 /nfs/dbraw/zinc/63/30/73/357633073.db2.gz PQCAJDRDFZKVKD-CYBMUJFWSA-N 1 0 321.381 1.030 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000598680815 357685457 /nfs/dbraw/zinc/68/54/57/357685457.db2.gz DNGBIDSMYZNJBH-LRDDRELGSA-N 1 0 318.377 1.655 20 5 DDBDRO Cc1ccc(S(=O)(=O)N[C@H](C)[C@@H](C)[NH3+])c(C)c1[N+](=O)[O-] ZINC000598713290 357700996 /nfs/dbraw/zinc/70/09/96/357700996.db2.gz AHPTXWJQXNBLEO-NXEZZACHSA-N 1 0 301.368 1.226 20 5 DDBDRO CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598914554 357757427 /nfs/dbraw/zinc/75/74/27/357757427.db2.gz HERJGSGEWQUWRV-ZDUSSCGKSA-N 1 0 320.349 1.134 20 5 DDBDRO O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000598914405 357758006 /nfs/dbraw/zinc/75/80/06/357758006.db2.gz CIXZUUCNXASCOP-CQSZACIVSA-N 1 0 308.313 1.951 20 5 DDBDRO CCN(CC[NH3+])S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC000599098590 357815271 /nfs/dbraw/zinc/81/52/71/357815271.db2.gz MSLBRSBJOLZHOD-UHFFFAOYSA-N 1 0 301.368 1.181 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCCOCCC[NH3+] ZINC000599601492 357989320 /nfs/dbraw/zinc/98/93/20/357989320.db2.gz WBYOBTCRJAWQCQ-UHFFFAOYSA-N 1 0 310.354 1.699 20 5 DDBDRO C[NH2+]CCOCCNC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000599607416 357991451 /nfs/dbraw/zinc/99/14/51/357991451.db2.gz WVLITDCFOLEYGP-UHFFFAOYSA-N 1 0 310.354 1.569 20 5 DDBDRO C[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H]1C[C@@H](C(N)=O)C1 ZINC000599644994 358005105 /nfs/dbraw/zinc/00/51/05/358005105.db2.gz OGAVPRUOVCDADS-WVSHTKLVSA-N 1 0 321.333 1.157 20 5 DDBDRO COC(=O)[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)[C@H]2CCC[C@H]21 ZINC000599659046 358012824 /nfs/dbraw/zinc/01/28/24/358012824.db2.gz OAXNDBFFFKBLNB-MJBXVCDLSA-N 1 0 322.365 1.455 20 5 DDBDRO COC(=O)c1cnc(N(C)C[C@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC000276712126 213061473 /nfs/dbraw/zinc/06/14/73/213061473.db2.gz JJYVVRSKWQBJCY-NSHDSACASA-N 1 0 322.365 1.554 20 5 DDBDRO Cc1cc(NC(=O)NCC[N@@H+]2CC[C@H](O)C2)ccc1[N+](=O)[O-] ZINC000599772475 358054168 /nfs/dbraw/zinc/05/41/68/358054168.db2.gz RCANJDFDSYHLSC-LBPRGKRZSA-N 1 0 308.338 1.091 20 5 DDBDRO CC(C)[C@@H]1C[NH2+]CCN1C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000599919063 358080667 /nfs/dbraw/zinc/08/06/67/358080667.db2.gz BGQIPQFJFSPRKT-HNNXBMFYSA-N 1 0 320.393 1.777 20 5 DDBDRO CCCc1n[nH]c(C(=O)NC[C@@H]2CCCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000600313105 358193325 /nfs/dbraw/zinc/19/33/25/358193325.db2.gz HSYQTXBGBBZRPR-NSHDSACASA-N 1 0 323.397 1.732 20 5 DDBDRO C[NH2+]CCOCCN(C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000600729089 358298622 /nfs/dbraw/zinc/29/86/22/358298622.db2.gz DDQACZJCRZLHRA-LBPRGKRZSA-N 1 0 324.381 1.090 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H]2CO[C@H](C3CC3)C2)c1 ZINC000600756093 358309144 /nfs/dbraw/zinc/30/91/44/358309144.db2.gz MFDHSBNFFFKHTD-BJJXKVORSA-N 1 0 322.361 1.492 20 5 DDBDRO C[N@H+](CC(=O)NCCNc1ccccc1[N+](=O)[O-])C1CCC1 ZINC000600814435 358322794 /nfs/dbraw/zinc/32/27/94/358322794.db2.gz GLCZPDHNOLXLSG-UHFFFAOYSA-N 1 0 306.366 1.607 20 5 DDBDRO COc1ccc(CNC(=O)C[N@H+](C)C2CCC2)cc1[N+](=O)[O-] ZINC000600816787 358323605 /nfs/dbraw/zinc/32/36/05/358323605.db2.gz SEEOZOVVDLCQIJ-UHFFFAOYSA-N 1 0 307.350 1.704 20 5 DDBDRO CN(CC1C[NH+](C)C1)c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601195024 358442225 /nfs/dbraw/zinc/44/22/25/358442225.db2.gz ZWIWIGSMDOUTDU-UHFFFAOYSA-N 1 0 307.276 1.345 20 5 DDBDRO C[NH+](C)CCC1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000181078406 199250401 /nfs/dbraw/zinc/25/04/01/199250401.db2.gz HMNMUFYUSWTLPZ-UHFFFAOYSA-N 1 0 320.393 1.981 20 5 DDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000601554906 358599472 /nfs/dbraw/zinc/59/94/72/358599472.db2.gz AVPICYKOMSFZFL-UKRRQHHQSA-N 1 0 303.362 1.738 20 5 DDBDRO C[NH+](C)[C@H]1CCN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000181200252 199264668 /nfs/dbraw/zinc/26/46/68/199264668.db2.gz CMRTUFXBWUWMDY-JTQLQIEISA-N 1 0 307.306 1.100 20 5 DDBDRO CN1CCCC[C@@H]([N@H+](C)CCOc2ccccc2[N+](=O)[O-])C1=O ZINC000601970241 358758907 /nfs/dbraw/zinc/75/89/07/358758907.db2.gz NFMIIZAHHPQZOI-CQSZACIVSA-N 1 0 321.377 1.916 20 5 DDBDRO CC[NH+](CC)CCOCCNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000348156312 283394303 /nfs/dbraw/zinc/39/43/03/283394303.db2.gz BAZDSHMWWIMMGD-UHFFFAOYSA-N 1 0 312.370 1.022 20 5 DDBDRO C[NH+](C)[C@@H]1C[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000602170149 358861388 /nfs/dbraw/zinc/86/13/88/358861388.db2.gz IKTXFVYMAOAQJL-ZIAGYGMSSA-N 1 0 305.378 1.982 20 5 DDBDRO CCOC(=O)c1ccnc(N(CC[NH+](C)C)C(C)C)c1[N+](=O)[O-] ZINC000185440968 199853460 /nfs/dbraw/zinc/85/34/60/199853460.db2.gz UDPKBFUSJLCUDB-UHFFFAOYSA-N 1 0 324.381 1.943 20 5 DDBDRO CC[C@@](C)(O)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602511553 359019958 /nfs/dbraw/zinc/01/99/58/359019958.db2.gz OBBBQSPHVIYYKI-OAHLLOKOSA-N 1 0 308.382 1.709 20 5 DDBDRO C[NH2+]CCOCCN(C)C(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC000602544232 359036392 /nfs/dbraw/zinc/03/63/92/359036392.db2.gz GJHOGTJDCIQEHS-UHFFFAOYSA-N 1 0 323.393 1.828 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H](OC)[C@H]1CCOC1 ZINC000602547147 359038585 /nfs/dbraw/zinc/03/85/85/359038585.db2.gz AIYXGUUQWJEITO-NHYWBVRUSA-N 1 0 310.350 1.745 20 5 DDBDRO C[C@@H](CCS(C)(=O)=O)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602565842 359047218 /nfs/dbraw/zinc/04/72/18/359047218.db2.gz ARDZFIULROPMJI-NSHDSACASA-N 1 0 300.380 1.550 20 5 DDBDRO CCNC(=O)N1CC[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000602568468 359048295 /nfs/dbraw/zinc/04/82/95/359048295.db2.gz NMGRNOWGNVWTBI-CYBMUJFWSA-N 1 0 306.366 1.531 20 5 DDBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@@H]2CCCCS2(=O)=O)cc1 ZINC000602603552 359067097 /nfs/dbraw/zinc/06/70/97/359067097.db2.gz CPJNFJOZJOVFBZ-AWEZNQCLSA-N 1 0 312.391 1.694 20 5 DDBDRO CO[C@@H](CN(CC[NH3+])c1ccccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000602659887 359106946 /nfs/dbraw/zinc/10/69/46/359106946.db2.gz VAMVYPSEFQKRRY-WFASDCNBSA-N 1 0 309.366 1.411 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)[C@@H](CO)c1ccccc1 ZINC000602772813 359179203 /nfs/dbraw/zinc/17/92/03/359179203.db2.gz KTPUANCEKGVTNH-AWEZNQCLSA-N 1 0 304.350 1.765 20 5 DDBDRO C[C@@H]1C[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CO1 ZINC000602705081 359135752 /nfs/dbraw/zinc/13/57/52/359135752.db2.gz ZOTGZAIQVOKGEK-YPMHNXCESA-N 1 0 306.366 1.726 20 5 DDBDRO CN(C)C(=O)CN(CCc1ccc([N+](=O)[O-])cc1)CC[NH+](C)C ZINC000602710359 359139784 /nfs/dbraw/zinc/13/97/84/359139784.db2.gz SYYJSONZSXWPIL-UHFFFAOYSA-N 1 0 322.409 1.089 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCC[C@@H]1N1CC[C@@H](O)C1 ZINC000602733360 359155238 /nfs/dbraw/zinc/15/52/38/359155238.db2.gz BGKQDYINYQPCSE-ZACQAIPSSA-N 1 0 319.405 1.981 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](CO)c1ccc(F)cc1 ZINC000602804825 359202868 /nfs/dbraw/zinc/20/28/68/359202868.db2.gz GSHPAJVKUWNPRS-CYBMUJFWSA-N 1 0 308.313 1.562 20 5 DDBDRO CC[C@H]1C[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000602823128 359216847 /nfs/dbraw/zinc/21/68/47/359216847.db2.gz YUGJCAGSRPPTMG-DZGCQCFKSA-N 1 0 324.381 1.370 20 5 DDBDRO O=[N+]([O-])c1ccccc1OCCn1cc([C@@H]2CCC[NH2+]C2)nn1 ZINC000603202738 359477980 /nfs/dbraw/zinc/47/79/80/359477980.db2.gz YEPJPDALUQMPAH-GFCCVEGCSA-N 1 0 317.349 1.732 20 5 DDBDRO C[C@@H](c1ccccc1[N+](=O)[O-])n1cc(CN2CC[NH2+]CC2)nn1 ZINC000603218914 359491084 /nfs/dbraw/zinc/49/10/84/359491084.db2.gz NOHQJHAGSWDQLO-LBPRGKRZSA-N 1 0 316.365 1.201 20 5 DDBDRO C[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC[C@@H]1O ZINC000186879206 200025708 /nfs/dbraw/zinc/02/57/08/200025708.db2.gz FJBBQDJVHUNRMA-RISCZKNCSA-N 1 0 307.350 1.626 20 5 DDBDRO C[N@@H+]1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000603428534 359633873 /nfs/dbraw/zinc/63/38/73/359633873.db2.gz OKMCDSNOJNYIQG-UHFFFAOYSA-N 1 0 306.366 1.830 20 5 DDBDRO Cn1cc(CN2CCCc3cccc(C[NH3+])c32)c([N+](=O)[O-])n1 ZINC000603427669 359633985 /nfs/dbraw/zinc/63/39/85/359633985.db2.gz CVRGXUFWMKBIGW-UHFFFAOYSA-N 1 0 301.350 1.740 20 5 DDBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1CCCS(=O)(=O)C1 ZINC000565726348 304087109 /nfs/dbraw/zinc/08/71/09/304087109.db2.gz RRMSMFCROGRZGY-FZMZJTMJSA-N 1 0 324.402 1.997 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCC1([NH3+])CCCCC1 ZINC000237579825 202290210 /nfs/dbraw/zinc/29/02/10/202290210.db2.gz LJIJJVICOHLFHZ-UHFFFAOYSA-N 1 0 309.370 1.268 20 5 DDBDRO CC(C)[N@H+](C)CC1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000604266912 359731202 /nfs/dbraw/zinc/73/12/02/359731202.db2.gz NQDZZGWHHYJEFP-UHFFFAOYSA-N 1 0 323.397 1.370 20 5 DDBDRO CC(C)[N@H+](C)CC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000188524330 200261863 /nfs/dbraw/zinc/26/18/63/200261863.db2.gz FKZITVRSUYUZRD-UHFFFAOYSA-N 1 0 307.350 1.525 20 5 DDBDRO [NH3+]C1(C(=O)NCCNc2ccccc2[N+](=O)[O-])CCCCC1 ZINC000237792648 202355623 /nfs/dbraw/zinc/35/56/23/202355623.db2.gz CFWRYVNPHRFDBW-UHFFFAOYSA-N 1 0 306.366 1.785 20 5 DDBDRO C[C@]1(O)CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000189071995 200344193 /nfs/dbraw/zinc/34/41/93/200344193.db2.gz ZOATZZNGEBCZKP-AWEZNQCLSA-N 1 0 311.313 1.519 20 5 DDBDRO COc1cc(C(=O)N[C@H]2CCC[NH2+][C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000189312591 200380604 /nfs/dbraw/zinc/38/06/04/200380604.db2.gz ZEXVSURBIVQQFU-KOLCDFICSA-N 1 0 323.349 1.482 20 5 DDBDRO C[NH+](C)C[C@@H]1CCCCN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000609154022 360268196 /nfs/dbraw/zinc/26/81/96/360268196.db2.gz QXTHTYDUXXOUGY-AWEZNQCLSA-N 1 0 321.377 1.916 20 5 DDBDRO CC[NH+](CC)CCO[C@H]1CCN(c2cccnc2[N+](=O)[O-])C1 ZINC000610469528 360443447 /nfs/dbraw/zinc/44/34/47/360443447.db2.gz FYTPWNJGASIVFO-ZDUSSCGKSA-N 1 0 308.382 1.927 20 5 DDBDRO C[C@@H]1C[C@H](NCc2cc3c(cc2[N+](=O)[O-])OCCO3)CC[N@@H+]1C ZINC000610271196 360404862 /nfs/dbraw/zinc/40/48/62/360404862.db2.gz JWMXABVBMAZRSW-DGCLKSJQSA-N 1 0 321.377 1.938 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000610276235 360406645 /nfs/dbraw/zinc/40/66/45/360406645.db2.gz FPEBRRXHRXZSLL-DZGCQCFKSA-N 1 0 305.378 1.939 20 5 DDBDRO Cc1nc(N2CCC[N@H+](C[C@H]3CCCO3)CC2)ccc1[N+](=O)[O-] ZINC000610754537 360528098 /nfs/dbraw/zinc/52/80/98/360528098.db2.gz YEBMANHUYWRSSV-CQSZACIVSA-N 1 0 320.393 1.989 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)NC[C@@H](C)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000610922160 360572775 /nfs/dbraw/zinc/57/27/75/360572775.db2.gz BCJMNSNUPSNQET-SNVBAGLBSA-N 1 0 309.370 1.655 20 5 DDBDRO NC(=O)c1ccc(C[NH2+]C2(CO)CCCCC2)c([N+](=O)[O-])c1 ZINC000611463072 360724694 /nfs/dbraw/zinc/72/46/94/360724694.db2.gz SOAGKBFXZFAZKM-UHFFFAOYSA-N 1 0 307.350 1.479 20 5 DDBDRO CN(C)c1cc[nH+]c(NC(=O)CCn2cc([N+](=O)[O-])cn2)c1 ZINC000612346551 360978468 /nfs/dbraw/zinc/97/84/68/360978468.db2.gz KEBVFAOBVHIDNQ-UHFFFAOYSA-N 1 0 304.310 1.281 20 5 DDBDRO Cc1ccc(S(=O)(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000193415293 201049031 /nfs/dbraw/zinc/04/90/31/201049031.db2.gz IBFCZTBOKJUCHB-JOYOIKCWSA-N 1 0 313.379 1.180 20 5 DDBDRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)c1cc([N+](=O)[O-])cnc1C ZINC000619578934 364070791 /nfs/dbraw/zinc/07/07/91/364070791.db2.gz UZDOEUORQHKZIL-GFCCVEGCSA-N 1 0 306.366 1.855 20 5 DDBDRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000619567162 364063212 /nfs/dbraw/zinc/06/32/12/364063212.db2.gz XVGGKCDPTSOELF-GFCCVEGCSA-N 1 0 309.370 1.124 20 5 DDBDRO COc1ccc(C(=O)NCC23CCC[NH+]2CCC3)cc1[N+](=O)[O-] ZINC000619574095 364067495 /nfs/dbraw/zinc/06/74/95/364067495.db2.gz OEOWRCDWDYIXNM-UHFFFAOYSA-N 1 0 319.361 1.962 20 5 DDBDRO Cc1ccc(NCCCNC(=O)[C@H]2CC[NH2+][C@H]2C)c([N+](=O)[O-])c1 ZINC000566185785 304125830 /nfs/dbraw/zinc/12/58/30/304125830.db2.gz SCEVGDDYLGCEGG-STQMWFEESA-N 1 0 320.393 1.819 20 5 DDBDRO CCC[C@H]1C[NH2+]CCN1C(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000359224602 299364067 /nfs/dbraw/zinc/36/40/67/299364067.db2.gz LBZHOEXLLZOILN-LBPRGKRZSA-N 1 0 309.370 1.090 20 5 DDBDRO CO[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000275183188 212180276 /nfs/dbraw/zinc/18/02/76/212180276.db2.gz DTWXXFHNZAQYET-CWRNSKLLSA-N 1 0 324.377 1.882 20 5 DDBDRO C[C@@H](C[NH3+])N(C)C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000262009921 203173962 /nfs/dbraw/zinc/17/39/62/203173962.db2.gz BVWCBSBSVJLBKG-JTQLQIEISA-N 1 0 303.322 1.200 20 5 DDBDRO CN(CC(=O)NCC[C@H]1CC[NH2+]C1)c1ccccc1[N+](=O)[O-] ZINC000262579088 203338717 /nfs/dbraw/zinc/33/87/17/203338717.db2.gz LEEYOCIOQLJNCL-GFCCVEGCSA-N 1 0 306.366 1.147 20 5 DDBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)NCC[C@@H]1CC[NH2+]C1 ZINC000262596161 203343865 /nfs/dbraw/zinc/34/38/65/203343865.db2.gz VCBGYJDVERHIMN-NSHDSACASA-N 1 0 309.391 1.803 20 5 DDBDRO O=C(N[C@H]1CC[NH2+]C1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000126126417 284205076 /nfs/dbraw/zinc/20/50/76/284205076.db2.gz NOKMXFHTGDDRJJ-QMMMGPOBSA-N 1 0 314.139 1.449 20 5 DDBDRO Cc1nn(C)c(C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)c1[N+](=O)[O-] ZINC000264609552 204025207 /nfs/dbraw/zinc/02/52/07/204025207.db2.gz ZAUHTSUJIHPXLH-LBPRGKRZSA-N 1 0 321.381 1.337 20 5 DDBDRO CN1CC[N@H+](C)C[C@@H]1CNc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000264731179 204112282 /nfs/dbraw/zinc/11/22/82/204112282.db2.gz IYRXYMWVFITABX-AWEZNQCLSA-N 1 0 315.377 1.801 20 5 DDBDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000266105824 205101872 /nfs/dbraw/zinc/10/18/72/205101872.db2.gz GQLVYCFXFFJJFY-CYBMUJFWSA-N 1 0 323.397 1.514 20 5 DDBDRO CN(CC(=O)N1CC[C@H](C[NH+](C)C)C1)c1ccccc1[N+](=O)[O-] ZINC000266292232 205241252 /nfs/dbraw/zinc/24/12/52/205241252.db2.gz IRHKUKSXTNITOZ-CYBMUJFWSA-N 1 0 320.393 1.441 20 5 DDBDRO COc1ccc(OCC[NH2+][C@H](CCO)C(C)C)c([N+](=O)[O-])c1 ZINC000161730470 197514584 /nfs/dbraw/zinc/51/45/84/197514584.db2.gz OKKBEIVFVZBFJW-CYBMUJFWSA-N 1 0 312.366 1.979 20 5 DDBDRO CO[C@@H]1CCC[C@H]1C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000566673508 304174997 /nfs/dbraw/zinc/17/49/97/304174997.db2.gz PAWLVBMOPRIOTH-GZBFAFLISA-N 1 0 324.377 1.739 20 5 DDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000189320351 291601447 /nfs/dbraw/zinc/60/14/47/291601447.db2.gz UKOPEZOZKVDRPP-QWRGUYRKSA-N 1 0 313.379 1.322 20 5 DDBDRO C[N@H+](CCNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)C1CCCC1 ZINC000104927948 194053553 /nfs/dbraw/zinc/05/35/53/194053553.db2.gz HQYIZPWOUBOBJG-UHFFFAOYSA-N 1 0 308.338 1.300 20 5 DDBDRO C[C@H]1CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCC1=O ZINC000338564707 250032751 /nfs/dbraw/zinc/03/27/51/250032751.db2.gz JMYVMABBGFMYJF-NSHDSACASA-N 1 0 305.334 1.834 20 5 DDBDRO CC(C)[N@H+](C)CCCNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000338675399 250085963 /nfs/dbraw/zinc/08/59/63/250085963.db2.gz DKCBUDMNOYBBCC-UHFFFAOYSA-N 1 0 311.386 1.373 20 5 DDBDRO CCNC(=O)C[C@@H]1CCCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000284864694 218212702 /nfs/dbraw/zinc/21/27/02/218212702.db2.gz SHEDHWYPUGOGLT-LBPRGKRZSA-N 1 0 309.370 1.172 20 5 DDBDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000285007078 218253601 /nfs/dbraw/zinc/25/36/01/218253601.db2.gz CUQFTWPTKMWMAR-SNVBAGLBSA-N 1 0 309.370 1.558 20 5 DDBDRO CCNC(=O)C(C)(C)C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285115362 218296154 /nfs/dbraw/zinc/29/61/54/218296154.db2.gz KXRMZIVWDOCFKV-SNVBAGLBSA-N 1 0 308.382 1.990 20 5 DDBDRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000285202325 218331351 /nfs/dbraw/zinc/33/13/51/218331351.db2.gz OVLGHGZQVVSING-QWRGUYRKSA-N 1 0 309.370 1.416 20 5 DDBDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000285242592 218348298 /nfs/dbraw/zinc/34/82/98/218348298.db2.gz YTCZNHNAMAGKDY-OUAUKWLOSA-N 1 0 309.370 1.414 20 5 DDBDRO CCCc1n[nH]c(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000109429002 194262853 /nfs/dbraw/zinc/26/28/53/194262853.db2.gz LIKPIUCJYGJAEN-JTQLQIEISA-N 1 0 321.381 1.485 20 5 DDBDRO [NH3+]C1CCC(NS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000051693446 183834308 /nfs/dbraw/zinc/83/43/08/183834308.db2.gz DYSMGXCQPZZATE-UHFFFAOYSA-N 1 0 313.379 1.284 20 5 DDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@H](C[NH+](C)C)C1 ZINC000114198586 194638481 /nfs/dbraw/zinc/63/84/81/194638481.db2.gz LJYISSVNYGBVAT-CHWSQXEVSA-N 1 0 320.393 1.805 20 5 DDBDRO C[C@@H]([NH3+])[C@@H](C)NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000418084955 532971692 /nfs/dbraw/zinc/97/16/92/532971692.db2.gz SWOZSWLKMFODMQ-HTQZYQBOSA-N 1 0 306.326 1.006 20 5 DDBDRO C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)C1=CC[N@H+](C)CC1 ZINC000273000415 210380031 /nfs/dbraw/zinc/38/00/31/210380031.db2.gz REUVRNAYUIJANC-LBPRGKRZSA-N 1 0 303.362 1.904 20 5 DDBDRO CCCc1n[nH]c(C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)c1[N+](=O)[O-] ZINC000272994084 210373810 /nfs/dbraw/zinc/37/38/10/210373810.db2.gz QJPWEGMZMBLCHK-JTQLQIEISA-N 1 0 321.381 1.651 20 5 DDBDRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000286510309 219028174 /nfs/dbraw/zinc/02/81/74/219028174.db2.gz MUPSXNNOVVJIHE-CFAIKTRFSA-N 1 0 318.373 1.983 20 5 DDBDRO CC[NH+](CC)CCNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000271299228 208791827 /nfs/dbraw/zinc/79/18/27/208791827.db2.gz HXUGGEGNAFABKQ-UHFFFAOYSA-N 1 0 323.378 1.671 20 5 DDBDRO O=[N+]([O-])c1cccnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC000265480152 285165685 /nfs/dbraw/zinc/16/56/85/285165685.db2.gz HATUJOSRYDPIAU-UHFFFAOYSA-N 1 0 306.366 1.538 20 5 DDBDRO CN(Cc1ccc([N+](=O)[O-])cc1F)C1CC[NH+](CCO)CC1 ZINC000352691090 285231233 /nfs/dbraw/zinc/23/12/33/285231233.db2.gz IOPQPCYDHWLQCK-UHFFFAOYSA-N 1 0 311.357 1.622 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCO)CC2)c2cccnc21 ZINC000413200635 224153333 /nfs/dbraw/zinc/15/33/33/224153333.db2.gz FFOVAXXBTMQYOB-UHFFFAOYSA-N 1 0 316.361 1.694 20 5 DDBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000289509047 221028199 /nfs/dbraw/zinc/02/81/99/221028199.db2.gz AFDVZLDJIPBGEQ-STQMWFEESA-N 1 0 319.361 1.432 20 5 DDBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3F)[C@H]2C1 ZINC000352802447 285311190 /nfs/dbraw/zinc/31/11/90/285311190.db2.gz DVDCZMFZFCWYNN-NHYWBVRUSA-N 1 0 321.352 1.829 20 5 DDBDRO C[C@H]1CSC[C@@H]1[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000352813295 285317555 /nfs/dbraw/zinc/31/75/55/285317555.db2.gz AVQIKMUWDLTGJZ-GWCFXTLKSA-N 1 0 309.391 1.899 20 5 DDBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000289883279 221290087 /nfs/dbraw/zinc/29/00/87/221290087.db2.gz WWLUOOFPPSIGFJ-NSHDSACASA-N 1 0 311.386 1.336 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414651149 533226689 /nfs/dbraw/zinc/22/66/89/533226689.db2.gz FGKZCGMGOSOWBX-UWVGGRQHSA-N 1 0 308.338 1.865 20 5 DDBDRO COC[C@@]1(CNC/C=C/c2ccccc2[N+](=O)[O-])CCC[NH2+]1 ZINC000414945945 224424552 /nfs/dbraw/zinc/42/45/52/224424552.db2.gz RORGJJMGLKWGMW-RRGWEWPQSA-N 1 0 305.378 1.966 20 5 DDBDRO COc1cccc(C(=O)N2CCC([C@@H](C)[NH3+])CC2)c1[N+](=O)[O-] ZINC000422796630 533397358 /nfs/dbraw/zinc/39/73/58/533397358.db2.gz YTDYIGXQLQYKGQ-SNVBAGLBSA-N 1 0 307.350 1.803 20 5 DDBDRO COc1ccc(CNC(=O)N[C@H]2CC[NH2+]C[C@@H]2C)cc1[N+](=O)[O-] ZINC000417179788 533633646 /nfs/dbraw/zinc/63/36/46/533633646.db2.gz FYBBPZNSOOVNRF-JQWIXIFHSA-N 1 0 322.365 1.401 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@@H](C[NH3+])C2CC2)c1C ZINC000087384192 291994787 /nfs/dbraw/zinc/99/47/87/291994787.db2.gz QJGZSIVOHASDRT-LBPRGKRZSA-N 1 0 313.379 1.227 20 5 DDBDRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000569095424 304336722 /nfs/dbraw/zinc/33/67/22/304336722.db2.gz VTYGGIBUDDFUBT-ZIAGYGMSSA-N 1 0 322.365 1.543 20 5 DDBDRO Cc1cc(C[NH+](C)C)cc(NC(=O)c2cc([N+](=O)[O-])nn2C)c1 ZINC000360656149 299713951 /nfs/dbraw/zinc/71/39/51/299713951.db2.gz GFGIJNRKXNIMMA-UHFFFAOYSA-N 1 0 317.349 1.951 20 5 DDBDRO C[C@@H]1C[C@@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CS1 ZINC000570563834 304414984 /nfs/dbraw/zinc/41/49/84/304414984.db2.gz BYFPPYVNCDTZDI-UTUOFQBUSA-N 1 0 312.391 1.818 20 5 DDBDRO CC[NH+](CC)CCNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000012141570 406835394 /nfs/dbraw/zinc/83/53/94/406835394.db2.gz CCEXJKBBOCVPEK-UHFFFAOYSA-N 1 0 315.395 1.356 20 5 DDBDRO C[C@@H](CN1CC[NH+](C)CC1)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000078543712 407033690 /nfs/dbraw/zinc/03/36/90/407033690.db2.gz QGTHRVOMLWVASF-NSHDSACASA-N 1 0 323.353 1.551 20 5 DDBDRO CC[NH+](CC)CCNC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000045544981 407044982 /nfs/dbraw/zinc/04/49/82/407044982.db2.gz YMVUEROOBWGXKS-UHFFFAOYSA-N 1 0 323.397 1.648 20 5 DDBDRO Cc1ccc([C@@H](C)[NH2+]CCCS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000038047396 406998514 /nfs/dbraw/zinc/99/85/14/406998514.db2.gz PEESOXUXMLHNOD-LLVKDONJSA-N 1 0 300.380 1.989 20 5 DDBDRO CC[NH+](CC)CCCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000048668999 407104320 /nfs/dbraw/zinc/10/43/20/407104320.db2.gz CGUODGHIZBSOOP-UHFFFAOYSA-N 1 0 322.365 1.381 20 5 DDBDRO C[C@H](CC[NH+](C)C)Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000049558542 407122855 /nfs/dbraw/zinc/12/28/55/407122855.db2.gz XTQRXFZTRMEURX-SNVBAGLBSA-N 1 0 315.395 1.750 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[NH+]2CCC(OC[C@@H]3CCCO3)CC2)c1 ZINC000083406341 407082402 /nfs/dbraw/zinc/08/24/02/407082402.db2.gz WZLDGDILAHZJCX-HNNXBMFYSA-N 1 0 324.381 1.451 20 5 DDBDRO O=C(c1cccc([N+](=O)[O-])c1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000050964927 407132732 /nfs/dbraw/zinc/13/27/32/407132732.db2.gz NXBQTDPVMFZCIU-CYBMUJFWSA-N 1 0 319.361 1.389 20 5 DDBDRO CCC[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000054266461 407181112 /nfs/dbraw/zinc/18/11/12/407181112.db2.gz IMMDVDGEZUSWKX-UHFFFAOYSA-N 1 0 321.786 1.526 20 5 DDBDRO CN(CC1CC[NH+](C)CC1)C(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000103451304 407339595 /nfs/dbraw/zinc/33/95/95/407339595.db2.gz BEKZNHDVCGTNLY-UHFFFAOYSA-N 1 0 324.356 1.730 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C[C@H](C)O)C(C)C ZINC000107043110 407368296 /nfs/dbraw/zinc/36/82/96/407368296.db2.gz RWWHFUCXUNISPY-LBPRGKRZSA-N 1 0 309.366 1.933 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC1(C[NH3+])CCCC1 ZINC000111832802 407417650 /nfs/dbraw/zinc/41/76/50/407417650.db2.gz ZFHPWWUSNQEJDH-UHFFFAOYSA-N 1 0 313.379 1.453 20 5 DDBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000271042073 407483377 /nfs/dbraw/zinc/48/33/77/407483377.db2.gz RCYKWEAFCAQJEY-GFCCVEGCSA-N 1 0 323.397 1.370 20 5 DDBDRO [NH3+]C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C1 ZINC000178535430 407485145 /nfs/dbraw/zinc/48/51/45/407485145.db2.gz JLDSONUTTPGXJK-LBPRGKRZSA-N 1 0 318.377 1.616 20 5 DDBDRO CC[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C ZINC000112926043 407448231 /nfs/dbraw/zinc/44/82/31/407448231.db2.gz DFCRFQKHCCEZLN-UHFFFAOYSA-N 1 0 310.310 1.493 20 5 DDBDRO C[C@@H]1CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000261676111 407575911 /nfs/dbraw/zinc/57/59/11/407575911.db2.gz CYVRCMXUPTZOFI-OLZOCXBDSA-N 1 0 321.377 1.950 20 5 DDBDRO [NH3+][C@@H]1CN(CCn2ccc([N+](=O)[O-])n2)C[C@H]1c1ccccc1 ZINC000261698238 407583539 /nfs/dbraw/zinc/58/35/39/407583539.db2.gz CURWOHCWUFLZSU-UONOGXRCSA-N 1 0 301.350 1.218 20 5 DDBDRO C[NH+](C)[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000152200301 407584321 /nfs/dbraw/zinc/58/43/21/407584321.db2.gz IKGUCWPWFGOIED-LLVKDONJSA-N 1 0 314.345 1.919 20 5 DDBDRO CS[C@@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)C[C@@H]1[NH+](C)C ZINC000271122567 407525960 /nfs/dbraw/zinc/52/59/60/407525960.db2.gz LBYGTYVTOWNOMU-VHSXEESVSA-N 1 0 315.420 1.774 20 5 DDBDRO NC(=O)c1ccc(CN2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000261818991 407624462 /nfs/dbraw/zinc/62/44/62/407624462.db2.gz HFCPXORFWQMPAC-IACUBPJLSA-N 1 0 318.377 1.253 20 5 DDBDRO C[C@H]1OCC[C@@]1(O)C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000227977221 407642648 /nfs/dbraw/zinc/64/26/48/407642648.db2.gz JYKBOZVLCMESBX-NOZJJQNGSA-N 1 0 300.742 1.878 20 5 DDBDRO Cc1c(NC(=O)[C@H](C)N2CC[C@@](C)(C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000261737538 407594940 /nfs/dbraw/zinc/59/49/40/407594940.db2.gz OWNJBAIEDSUWDC-LRDDRELGSA-N 1 0 320.393 1.901 20 5 DDBDRO [NH3+]CCC(=O)NC[C@H]1CCCCN1Cc1cccc([N+](=O)[O-])c1 ZINC000261978954 407698766 /nfs/dbraw/zinc/69/87/66/407698766.db2.gz IYUWYVKWUHRLHC-OAHLLOKOSA-N 1 0 320.393 1.414 20 5 DDBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)c3cc(F)ccc3[N+](=O)[O-])C[C@@H]21 ZINC000262041423 407720247 /nfs/dbraw/zinc/72/02/47/407720247.db2.gz BXBIDYOROUCOBG-TVYUQYBPSA-N 1 0 307.325 1.933 20 5 DDBDRO COC(=O)[C@@H]1CCCC[C@]1(C)[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000272036751 407747062 /nfs/dbraw/zinc/74/70/62/407747062.db2.gz NWKOEODDKDRIMA-FZMZJTMJSA-N 1 0 310.354 1.503 20 5 DDBDRO CCCC[C@@H](C[NH3+])NS(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000236677468 407750695 /nfs/dbraw/zinc/75/06/95/407750695.db2.gz VUQHGIHRKNCPEN-NSHDSACASA-N 1 0 315.395 1.699 20 5 DDBDRO Cc1cnc(NCCN2CCC([NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000267208377 407789266 /nfs/dbraw/zinc/78/92/66/407789266.db2.gz QAMHIMUGXQEUMO-UHFFFAOYSA-N 1 0 307.398 1.736 20 5 DDBDRO Nc1c(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cccc1[N+](=O)[O-] ZINC000267248821 407806789 /nfs/dbraw/zinc/80/67/89/407806789.db2.gz GFBSVEKXBJOHPB-NEPJUHHUSA-N 1 0 304.350 1.534 20 5 DDBDRO CN(CCC[NH3+])S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000133773013 407870134 /nfs/dbraw/zinc/87/01/34/407870134.db2.gz QSSJLIAESBEYJC-UHFFFAOYSA-N 1 0 307.759 1.218 20 5 DDBDRO C[C@H]([NH2+]CC(=O)N1C[C@@H](C)O[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000180412908 407886528 /nfs/dbraw/zinc/88/65/28/407886528.db2.gz RYCBUHZMEQVJRW-XQQFMLRXSA-N 1 0 321.377 1.881 20 5 DDBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000174534931 407960159 /nfs/dbraw/zinc/96/01/59/407960159.db2.gz IEHDCIOWMCGJID-CYBMUJFWSA-N 1 0 321.377 1.774 20 5 DDBDRO Cc1c(CC(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)cccc1[N+](=O)[O-] ZINC000272520983 407962187 /nfs/dbraw/zinc/96/21/87/407962187.db2.gz PWWGFRJQIGPQFO-CJNGLKHVSA-N 1 0 317.389 1.998 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000174672430 407975152 /nfs/dbraw/zinc/97/51/52/407975152.db2.gz NWMDFRFEOYCTFL-NEPJUHHUSA-N 1 0 304.350 1.607 20 5 DDBDRO CCOc1ccc(C(=O)N2CC[NH2+][C@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000262782433 407928357 /nfs/dbraw/zinc/92/83/57/407928357.db2.gz LSRKCOPXCLNIDQ-GHMZBOCLSA-N 1 0 307.350 1.816 20 5 DDBDRO COc1ccc(CNC(=O)[C@@H](C(C)C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000268379361 408017821 /nfs/dbraw/zinc/01/78/21/408017821.db2.gz YGRVTTVVBYPTNO-CQSZACIVSA-N 1 0 309.366 1.806 20 5 DDBDRO CC(C)(O)[C@@H]1CCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000136253829 408093310 /nfs/dbraw/zinc/09/33/10/408093310.db2.gz NLYGOXXKLVNOLB-ZFWWWQNUSA-N 1 0 324.377 1.570 20 5 DDBDRO CCc1n[nH]c(C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000175444880 408133807 /nfs/dbraw/zinc/13/38/07/408133807.db2.gz ATXCHLFKKPOIFI-UWVGGRQHSA-N 1 0 309.370 1.483 20 5 DDBDRO COc1ccc([C@@H](CCO)[NH2+]CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000182379359 408140679 /nfs/dbraw/zinc/14/06/79/408140679.db2.gz MUBZOJQVIJKMIC-OAHLLOKOSA-N 1 0 320.349 1.513 20 5 DDBDRO C[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1cnn(C)c1 ZINC000273308893 408146853 /nfs/dbraw/zinc/14/68/53/408146853.db2.gz OPSKSRBUNHAMHT-FZMZJTMJSA-N 1 0 320.349 1.419 20 5 DDBDRO CN(C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)[C@@H]1CCC[N@H+](C)C1 ZINC000151105476 408257137 /nfs/dbraw/zinc/25/71/37/408257137.db2.gz AKIAJQADTDQWAD-LLVKDONJSA-N 1 0 317.349 1.637 20 5 DDBDRO C[C@H](O)[C@@H]1CCCC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000246311437 408215884 /nfs/dbraw/zinc/21/58/84/408215884.db2.gz GPYKWJJWLXWZFD-BJJXKVORSA-N 1 0 324.377 1.570 20 5 DDBDRO CC(C)[C@@H]([NH3+])CCN(C)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000156735655 408273958 /nfs/dbraw/zinc/27/39/58/408273958.db2.gz HIALHJHDLOKBGH-NSHDSACASA-N 1 0 315.395 1.589 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC2(CC1)NC(=O)NC2=O ZINC000273694624 408289772 /nfs/dbraw/zinc/28/97/72/408289772.db2.gz BXKWJSWGXIBAQH-UHFFFAOYSA-N 1 0 318.333 1.077 20 5 DDBDRO O=[N+]([O-])c1ccn(CCN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC000134893601 162089796 /nfs/dbraw/zinc/08/97/96/162089796.db2.gz IPUKQCNMPHFQGS-UKRRQHHQSA-N 1 0 319.409 1.740 20 5 DDBDRO C[C@@H](O)[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000183202377 408352844 /nfs/dbraw/zinc/35/28/44/408352844.db2.gz UVHSEDUHHAFEIX-MNOVXSKESA-N 1 0 308.334 1.664 20 5 DDBDRO CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C[C@H](C)O ZINC000246824872 408346641 /nfs/dbraw/zinc/34/66/41/408346641.db2.gz LNEYDDZGKZERDH-GXTWGEPZSA-N 1 0 321.377 1.512 20 5 DDBDRO CS(=O)(=O)c1ccc(NCC[C@H]2CCC[NH2+]2)c([N+](=O)[O-])c1 ZINC000166887533 162170139 /nfs/dbraw/zinc/17/01/39/162170139.db2.gz FUDQOSOZNRZTLV-SNVBAGLBSA-N 1 0 313.379 1.552 20 5 DDBDRO CN(C(=O)C[N@H+](C)C[C@@H]1CCC[C@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000246907625 408364252 /nfs/dbraw/zinc/36/42/52/408364252.db2.gz ROTUHNCMSRZPLI-SWLSCSKDSA-N 1 0 321.377 1.650 20 5 DDBDRO [NH3+]C[C@H](NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)C1CC1 ZINC000159189532 408387282 /nfs/dbraw/zinc/38/72/82/408387282.db2.gz XEBHEOMFCHDUBB-AWEZNQCLSA-N 1 0 315.333 1.248 20 5 DDBDRO CC(C)([NH3+])CNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000159946617 408446524 /nfs/dbraw/zinc/44/65/24/408446524.db2.gz FIGRXENPNQHCTE-UHFFFAOYSA-N 1 0 316.155 1.824 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H]1CN(C2CC2)CCO1 ZINC000183463266 408419107 /nfs/dbraw/zinc/41/91/07/408419107.db2.gz NDBDURPREKAWMZ-MRXNPFEDSA-N 1 0 305.378 1.856 20 5 DDBDRO C[N@H+](CCNC(=O)NCCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000264823087 408547500 /nfs/dbraw/zinc/54/75/00/408547500.db2.gz HRKHUMNYGPVTJM-UHFFFAOYSA-N 1 0 306.366 1.531 20 5 DDBDRO C[C@H]1C[C@@H](NC(=O)COc2ccccc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000177198746 408549049 /nfs/dbraw/zinc/54/90/49/408549049.db2.gz SKEKEJPYNHMTPE-NWDGAFQWSA-N 1 0 319.361 1.715 20 5 DDBDRO CCOCC[N@H+](CC)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000264579254 408539795 /nfs/dbraw/zinc/53/97/95/408539795.db2.gz JFEHPWVBFJPQJM-CQSZACIVSA-N 1 0 312.366 1.693 20 5 DDBDRO Cc1nc(N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000275774970 408672118 /nfs/dbraw/zinc/67/21/18/408672118.db2.gz HMYJBLCTNJLTIO-LLVKDONJSA-N 1 0 308.382 1.580 20 5 DDBDRO CCCc1n[nH]c(C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000177562481 408657148 /nfs/dbraw/zinc/65/71/48/408657148.db2.gz HRIBHUNEUYLXSH-QWRGUYRKSA-N 1 0 323.397 1.873 20 5 DDBDRO C[C@H]1CC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@H]1CO ZINC000248919311 408661035 /nfs/dbraw/zinc/66/10/35/408661035.db2.gz KMNGYYFUMPTGDA-NHYWBVRUSA-N 1 0 319.361 1.187 20 5 DDBDRO COc1ccc(OCC[NH2+][C@@H](C)[C@@H]2CCOC2)c([N+](=O)[O-])c1 ZINC000162659039 408723646 /nfs/dbraw/zinc/72/36/46/408723646.db2.gz PLGQJVZHMPQJNP-NWDGAFQWSA-N 1 0 310.350 1.997 20 5 DDBDRO COC1(C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000162839645 408738609 /nfs/dbraw/zinc/73/86/09/408738609.db2.gz WMQMKUGLLKKXGW-LBPRGKRZSA-N 1 0 321.377 1.849 20 5 DDBDRO C[C@@H](C[NH+]1CCOCC1)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000270923029 408741302 /nfs/dbraw/zinc/74/13/02/408741302.db2.gz JKBNAZIFIMTEIP-ZDUSSCGKSA-N 1 0 321.377 1.222 20 5 DDBDRO Cc1cnc([C@H](C)[NH2+]CCn2cc([N+](=O)[O-])ccc2=O)s1 ZINC000185040969 408744357 /nfs/dbraw/zinc/74/43/57/408744357.db2.gz SEVLCGJWDXFCOA-JTQLQIEISA-N 1 0 308.363 1.872 20 5 DDBDRO O=[N+]([O-])c1ccc(-c2nnc(CN(CCO)C3CCC3)o2)cc1 ZINC000275788917 408677842 /nfs/dbraw/zinc/67/78/42/408677842.db2.gz DLCPCVQPFXPHRO-UHFFFAOYSA-N 1 0 318.333 1.992 20 5 DDBDRO C[C@H](O)C[N@@H+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000251946760 408790617 /nfs/dbraw/zinc/79/06/17/408790617.db2.gz UGLQOHGLRDBMOI-OLZOCXBDSA-N 1 0 321.377 1.051 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@](C)(O)CN1CCOCC1 ZINC000183479393 306711331 /nfs/dbraw/zinc/71/13/31/306711331.db2.gz NQJLQMWIGAOYOK-INIZCTEOSA-N 1 0 323.393 1.076 20 5 DDBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3N)[C@H]2C1 ZINC000276337650 408838102 /nfs/dbraw/zinc/83/81/02/408838102.db2.gz HOPWYXVSVWSKNP-HZMBPMFUSA-N 1 0 304.350 1.343 20 5 DDBDRO CNC(=O)c1ccc(NCC23CCC[NH+]2CCC3)c([N+](=O)[O-])c1 ZINC000280819677 408840898 /nfs/dbraw/zinc/84/08/98/408840898.db2.gz DQNCXQSOAAYLGZ-UHFFFAOYSA-N 1 0 318.377 1.995 20 5 DDBDRO CC[NH+]1CCC(Nc2ncc(C(=O)OC)cc2[N+](=O)[O-])CC1 ZINC000276505703 408871813 /nfs/dbraw/zinc/87/18/13/408871813.db2.gz CXELNLUNRBFCFD-UHFFFAOYSA-N 1 0 308.338 1.673 20 5 DDBDRO O=C(CC[C@@H]1CCC[NH2+]1)NCCNc1ccccc1[N+](=O)[O-] ZINC000291681372 408906165 /nfs/dbraw/zinc/90/61/65/408906165.db2.gz CKMQFSKFCYQUOI-LBPRGKRZSA-N 1 0 306.366 1.655 20 5 DDBDRO O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000187067919 163003254 /nfs/dbraw/zinc/00/32/54/163003254.db2.gz CFMRLKSZFJLMNL-LLVKDONJSA-N 1 0 306.322 1.006 20 5 DDBDRO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000285923627 408889576 /nfs/dbraw/zinc/88/95/76/408889576.db2.gz FBLDNOZTYGSUEU-HSMVNMDESA-N 1 0 320.393 1.534 20 5 DDBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000285923621 408889653 /nfs/dbraw/zinc/88/96/53/408889653.db2.gz FBLDNOZTYGSUEU-BFQNTYOBSA-N 1 0 320.393 1.534 20 5 DDBDRO C[NH+](C)[C@H]1CCCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000277303313 408916116 /nfs/dbraw/zinc/91/61/16/408916116.db2.gz UHOVVTSSGYBWLX-ZDUSSCGKSA-N 1 0 308.382 1.173 20 5 DDBDRO CCN1CCC[C@@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000194394013 163282028 /nfs/dbraw/zinc/28/20/28/163282028.db2.gz BNZLDCNPGHZDNI-SECBINFHSA-N 1 0 319.408 1.419 20 5 DDBDRO C[N@@H+]1CCN(CCNC(=O)c2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000281872231 408944913 /nfs/dbraw/zinc/94/49/13/408944913.db2.gz WJOGMIQPKBERTI-UHFFFAOYSA-N 1 0 320.393 1.351 20 5 DDBDRO CN(CCC[N@H+](C)Cc1ccco1)c1c([N+](=O)[O-])ncn1C ZINC000286256912 408950912 /nfs/dbraw/zinc/95/09/12/408950912.db2.gz DVHSDNKEQLQEGB-UHFFFAOYSA-N 1 0 307.354 1.880 20 5 DDBDRO CN1CC[N@H+](C)C[C@H]1CNc1c2ccccc2ncc1[N+](=O)[O-] ZINC000292005910 408962134 /nfs/dbraw/zinc/96/21/34/408962134.db2.gz RSKOLPSAYMEGEH-GFCCVEGCSA-N 1 0 315.377 1.801 20 5 DDBDRO C[C@@H](C[NH+](C)C)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000287334776 409021494 /nfs/dbraw/zinc/02/14/94/409021494.db2.gz YFWPONMKJCHZQQ-LBPRGKRZSA-N 1 0 320.393 1.875 20 5 DDBDRO CCN(Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H]1CCNC1=O ZINC000282399183 409047442 /nfs/dbraw/zinc/04/74/42/409047442.db2.gz PMLUBYJGUZBMIT-ZDUSSCGKSA-N 1 0 321.333 1.172 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@H](O)CC2)c1 ZINC000293288059 409083295 /nfs/dbraw/zinc/08/32/95/409083295.db2.gz VURYUIXGWSLYMN-UONOGXRCSA-N 1 0 310.350 1.181 20 5 DDBDRO O=C(COc1cccc([N+](=O)[O-])c1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000293584288 409142765 /nfs/dbraw/zinc/14/27/65/409142765.db2.gz YTKDAURPXRKHQZ-FZMZJTMJSA-N 1 0 305.334 1.184 20 5 DDBDRO C[C@H](C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)CN1CCOCC1 ZINC000293632754 409150855 /nfs/dbraw/zinc/15/08/55/409150855.db2.gz HPTKDHJTWIFOBU-OLZOCXBDSA-N 1 0 322.409 1.796 20 5 DDBDRO Cc1c(C(=O)NC[C@@H](C)C[NH+](C)C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000293750174 409173426 /nfs/dbraw/zinc/17/34/26/409173426.db2.gz MDCDNYMLWQGSPR-SECBINFHSA-N 1 0 324.337 1.739 20 5 DDBDRO C[NH+](C)CCn1nccc1NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000293954351 409214039 /nfs/dbraw/zinc/21/40/39/409214039.db2.gz DQYDBTJIYSWONE-UHFFFAOYSA-N 1 0 321.312 1.744 20 5 DDBDRO CCOc1ccc(C(=O)N2C[C@H](C[NH3+])C[C@@H]2C)cc1[N+](=O)[O-] ZINC000261804294 163706011 /nfs/dbraw/zinc/70/60/11/163706011.db2.gz MBEJFZZOEGIULO-QWRGUYRKSA-N 1 0 307.350 1.803 20 5 DDBDRO Cc1cc(OCC(=O)NCC2([NH+](C)C)CCC2)ccc1[N+](=O)[O-] ZINC000280467093 409316603 /nfs/dbraw/zinc/31/66/03/409316603.db2.gz AWWIHIIYSWPKGF-UHFFFAOYSA-N 1 0 321.377 1.883 20 5 DDBDRO CCn1nc(C)c(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])n1 ZINC000296062825 409416289 /nfs/dbraw/zinc/41/62/89/409416289.db2.gz PJXJFOICSKNGQC-UHFFFAOYSA-N 1 0 304.354 1.480 20 5 DDBDRO C[N@@H+]1CC[C@H]2OCCN(C(=O)c3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000285380475 409421665 /nfs/dbraw/zinc/42/16/65/409421665.db2.gz WLXVHSFMWGBZFQ-UONOGXRCSA-N 1 0 305.334 1.140 20 5 DDBDRO C[C@@H](C[NH+](C)C)NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000295337425 409440291 /nfs/dbraw/zinc/44/02/91/409440291.db2.gz NFJOVYBBJPXGCQ-JTQLQIEISA-N 1 0 317.349 1.665 20 5 DDBDRO [NH3+]CCCOC1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000321758843 164044899 /nfs/dbraw/zinc/04/48/99/164044899.db2.gz WNEZDZUAKLUVMX-UHFFFAOYSA-N 1 0 322.365 1.957 20 5 DDBDRO C[N@@H+]1CC[C@H]2OCCN(C(=O)c3csc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000285592920 409502933 /nfs/dbraw/zinc/50/29/33/409502933.db2.gz CALDFNMWFSPXNF-GHMZBOCLSA-N 1 0 311.363 1.201 20 5 DDBDRO C[C@H]1CC[N@H+](C)CCN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000354008303 409596192 /nfs/dbraw/zinc/59/61/92/409596192.db2.gz SCCRHAYUKZANOH-ZDUSSCGKSA-N 1 0 321.377 1.916 20 5 DDBDRO CC[N@@H+]1C[C@@H](C)N(c2ccc(C(=O)NC)cc2[N+](=O)[O-])C[C@@H]1C ZINC000345167195 409652260 /nfs/dbraw/zinc/65/22/60/409652260.db2.gz XVMKPUBDQJDZCV-NWDGAFQWSA-N 1 0 320.393 1.873 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@H]([NH3+])C1 ZINC000346068461 409753318 /nfs/dbraw/zinc/75/33/18/409753318.db2.gz MCHUNNRLQBVXPI-LBPRGKRZSA-N 1 0 306.366 1.655 20 5 DDBDRO COc1cc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)ccc1[N+](=O)[O-] ZINC000297142115 409822707 /nfs/dbraw/zinc/82/27/07/409822707.db2.gz UVRSKHGFGXEAPP-YHWZYXNKSA-N 1 0 319.361 1.958 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC000342718722 409841911 /nfs/dbraw/zinc/84/19/11/409841911.db2.gz FSLQJROABMQSTM-GXFFZTMASA-N 1 0 307.350 1.608 20 5 DDBDRO COc1cc(OCC(=O)N[C@H](C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000346140345 409814320 /nfs/dbraw/zinc/81/43/20/409814320.db2.gz PDTYBDYVCSCXQZ-SNVBAGLBSA-N 1 0 311.338 1.049 20 5 DDBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000354441787 409860356 /nfs/dbraw/zinc/86/03/56/409860356.db2.gz WXDPGXVXYTWESE-NEPJUHHUSA-N 1 0 309.370 1.123 20 5 DDBDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])o2)C[C@@H](C)C1 ZINC000346229196 409871228 /nfs/dbraw/zinc/87/12/28/409871228.db2.gz ROXQSCVDGWXFEA-TUAOUCFPSA-N 1 0 307.350 1.990 20 5 DDBDRO C[C@H]1[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCCN1C ZINC000354548072 409929917 /nfs/dbraw/zinc/92/99/17/409929917.db2.gz RRUWPZCROHOOCK-GXFFZTMASA-N 1 0 313.379 1.356 20 5 DDBDRO C[C@H]1[C@H](Nc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CCC[N@@H+]1C ZINC000342829723 409931236 /nfs/dbraw/zinc/93/12/36/409931236.db2.gz FZSGAHHQWCSJPU-JOYOIKCWSA-N 1 0 317.349 2.138 20 5 DDBDRO C[C@@H]1[C@@H](Nc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CCC[N@@H+]1C ZINC000342829724 409932245 /nfs/dbraw/zinc/93/22/45/409932245.db2.gz FZSGAHHQWCSJPU-SKDRFNHKSA-N 1 0 317.349 2.138 20 5 DDBDRO CC[N@H+](C)CCNC(=O)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000298038396 410087815 /nfs/dbraw/zinc/08/78/15/410087815.db2.gz GMIGIUUWSBORGX-UHFFFAOYSA-N 1 0 322.365 1.218 20 5 DDBDRO COc1cc(C[N@H+](C)C2(CCO)CCOCC2)ccc1[N+](=O)[O-] ZINC000355012546 410239044 /nfs/dbraw/zinc/23/90/44/410239044.db2.gz MVKQWOIJJVVIQE-UHFFFAOYSA-N 1 0 324.377 1.967 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H](C)[C@@H](O)C1 ZINC000351776428 410225938 /nfs/dbraw/zinc/22/59/38/410225938.db2.gz BAXXJDIMACJHPG-MFKMUULPSA-N 1 0 323.349 1.245 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@@H]2c2cccnc2)c1 ZINC000346999103 410298622 /nfs/dbraw/zinc/29/86/22/410298622.db2.gz PCXYUSDBCOKDFI-HUUCEWRRSA-N 1 0 317.349 1.384 20 5 DDBDRO C[C@H]([NH3+])[C@@H]1CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000351863124 410301162 /nfs/dbraw/zinc/30/11/62/410301162.db2.gz RVYTWQJRFSMWHJ-WCQYABFASA-N 1 0 318.377 1.153 20 5 DDBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1COCCO1 ZINC000358230651 410413587 /nfs/dbraw/zinc/41/35/87/410413587.db2.gz YPSTUNXUZNRYJN-SMDDNHRTSA-N 1 0 323.349 1.317 20 5 DDBDRO C[C@H]1[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2F)CCC[N@@H+]1C ZINC000343437272 410452344 /nfs/dbraw/zinc/45/23/44/410452344.db2.gz KYKOCKJMZVDLRB-HZMBPMFUSA-N 1 0 309.341 1.875 20 5 DDBDRO COc1ccc(CNC(=O)NC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000298937130 410456554 /nfs/dbraw/zinc/45/65/54/410456554.db2.gz OTLPYSYOFKNAKE-UHFFFAOYSA-N 1 0 322.365 1.497 20 5 DDBDRO O=[N+]([O-])c1cccc2ncnc(NCCC[NH+]3CCCC3)c21 ZINC000347402621 410523416 /nfs/dbraw/zinc/52/34/16/410523416.db2.gz UKBDUDKNHPDNCO-UHFFFAOYSA-N 1 0 301.350 2.436 20 5 DDBDRO CC1=CC[N@H+](CCNC(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000355547726 410573330 /nfs/dbraw/zinc/57/33/30/410573330.db2.gz QCGANYGEESEOIU-UHFFFAOYSA-N 1 0 304.350 1.559 20 5 DDBDRO COC(=O)COc1ccc(C[N@@H+]2CCC[C@@H]2CO)cc1[N+](=O)[O-] ZINC000355595389 410598865 /nfs/dbraw/zinc/59/88/65/410598865.db2.gz HAKOXHIFFBCXNF-GFCCVEGCSA-N 1 0 324.333 1.103 20 5 DDBDRO CC[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C[C@@H](C)O ZINC000352224155 410562792 /nfs/dbraw/zinc/56/27/92/410562792.db2.gz ZGONITMWYMWADH-LLVKDONJSA-N 1 0 307.350 1.187 20 5 DDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC([NH+](C)C)CC1 ZINC000301163733 410669697 /nfs/dbraw/zinc/66/96/97/410669697.db2.gz CDXQCXUOXXGDRU-UHFFFAOYSA-N 1 0 306.366 1.485 20 5 DDBDRO C[C@H](CNC(=O)c1nn(C)cc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC000330560763 410777598 /nfs/dbraw/zinc/77/75/98/410777598.db2.gz HVPLTSJTTGJUNV-WDEREUQCSA-N 1 0 309.370 1.179 20 5 DDBDRO Cc1c(CC(=O)N2C[C@@H](C)[N@@H+](C)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000330581324 410796614 /nfs/dbraw/zinc/79/66/14/410796614.db2.gz JBGSCRZQYMPNPB-VXGBXAGGSA-N 1 0 305.378 1.997 20 5 DDBDRO C[N@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)C1(CO)CC1 ZINC000353143352 410807047 /nfs/dbraw/zinc/80/70/47/410807047.db2.gz HMSQHUJWRHOGJJ-UHFFFAOYSA-N 1 0 321.333 1.350 20 5 DDBDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000330612441 410825980 /nfs/dbraw/zinc/82/59/80/410825980.db2.gz QVYINUJPTYCPJK-RYUDHWBXSA-N 1 0 306.366 1.558 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000356113237 410842124 /nfs/dbraw/zinc/84/21/24/410842124.db2.gz MKIFJXYZQVSACO-UHFFFAOYSA-N 1 0 324.300 2.131 20 5 DDBDRO C[C@@H]1[C@H](C)N(C(=O)COc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000330647655 410847146 /nfs/dbraw/zinc/84/71/46/410847146.db2.gz ZRWQHQLOOIBENL-NEPJUHHUSA-N 1 0 307.350 1.525 20 5 DDBDRO COc1cc(C[NH2+]CCc2cnccn2)c([N+](=O)[O-])cc1O ZINC000341264171 410970787 /nfs/dbraw/zinc/97/07/87/410970787.db2.gz GWHWNJRVHXITDB-UHFFFAOYSA-N 1 0 304.306 1.431 20 5 DDBDRO C[C@@H]1C[C@H](C(=O)NCCNc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000353580633 411073029 /nfs/dbraw/zinc/07/30/29/411073029.db2.gz IQFZFLPGDNRFQS-CHWSQXEVSA-N 1 0 320.393 1.853 20 5 DDBDRO COC(=O)COc1ccc(C[NH2+]C[C@@H]2C[C@H]2C)cc1[N+](=O)[O-] ZINC000353782937 411129543 /nfs/dbraw/zinc/12/95/43/411129543.db2.gz WHGHFZINIZZBCZ-PWSUYJOCSA-N 1 0 308.334 1.892 20 5 DDBDRO Cc1c(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cnn1C ZINC000353727400 411118555 /nfs/dbraw/zinc/11/85/55/411118555.db2.gz ZNSGQIXYOJSAFM-ZDUSSCGKSA-N 1 0 316.365 1.718 20 5 DDBDRO C[C@@]1(CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CCC[NH2+]C1 ZINC000129163656 196024436 /nfs/dbraw/zinc/02/44/36/196024436.db2.gz VJHOMNOWNJQNGE-CYBMUJFWSA-N 1 0 313.379 1.263 20 5 DDBDRO C[C@@]1(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCC[NH2+]C1 ZINC000129209185 196029090 /nfs/dbraw/zinc/02/90/90/196029090.db2.gz BEYGTMQWFUNQLJ-CYBMUJFWSA-N 1 0 313.379 1.263 20 5 DDBDRO Cc1ccc(NCCCNC(=O)N2CC[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000417708900 225407561 /nfs/dbraw/zinc/40/75/61/225407561.db2.gz ALGGATWCPPKRHS-LBPRGKRZSA-N 1 0 321.381 1.448 20 5 DDBDRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000417934691 225509226 /nfs/dbraw/zinc/50/92/26/225509226.db2.gz FWJKHLNLULMJSY-AAEUAGOBSA-N 1 0 306.366 1.516 20 5 DDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CC[N@H+](C[C@H](C)O)C[C@H]1C ZINC000361006285 418563859 /nfs/dbraw/zinc/56/38/59/418563859.db2.gz CHBKAXGVKDLERS-MNOVXSKESA-N 1 0 311.386 1.011 20 5 DDBDRO C[C@H]1CC[NH2+]C[C@H]1NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000193417959 222154106 /nfs/dbraw/zinc/15/41/06/222154106.db2.gz GLTHVDOABQGWFK-GXFFZTMASA-N 1 0 313.379 1.012 20 5 DDBDRO Nc1ccc(N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c([N+](=O)[O-])c1 ZINC000367417695 418599283 /nfs/dbraw/zinc/59/92/83/418599283.db2.gz IGQNSSOVPQGSOY-HIFRSBDPSA-N 1 0 306.366 1.212 20 5 DDBDRO Nc1cc(N)[nH+]c(SCc2nc3cc([N+](=O)[O-])ccc3[nH]2)n1 ZINC000352928285 418645787 /nfs/dbraw/zinc/64/57/87/418645787.db2.gz CBWMKZRQSRBHMF-UHFFFAOYSA-N 1 0 317.334 1.718 20 5 DDBDRO O=C1CC[C@H]([NH2+]CCOc2cccc([N+](=O)[O-])c2)[C@@H](C2CC2)N1 ZINC000375341620 418631041 /nfs/dbraw/zinc/63/10/41/418631041.db2.gz MMNPJZPVUPBEOC-GOEBONIOSA-N 1 0 319.361 1.620 20 5 DDBDRO [NH3+][C@H]1CCC[C@@H](C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000346284214 418637191 /nfs/dbraw/zinc/63/71/91/418637191.db2.gz MFJMEQMDYXMQOU-BDAKNGLRSA-N 1 0 303.322 1.927 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@@H](O)c3ccccc3C2)c1 ZINC000368224470 418706487 /nfs/dbraw/zinc/70/64/87/418706487.db2.gz UHJFAIAKTIKXIE-OAHLLOKOSA-N 1 0 302.334 1.731 20 5 DDBDRO Cc1cc(C(=O)N[C@@H]2CC23CC[NH2+]CC3)c(N)c([N+](=O)[O-])c1 ZINC000368184769 418699786 /nfs/dbraw/zinc/69/97/86/418699786.db2.gz LSRHKKFUBIQKAE-GFCCVEGCSA-N 1 0 304.350 1.357 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000382470656 418730246 /nfs/dbraw/zinc/73/02/46/418730246.db2.gz PMMPPEFJOVEIPV-GHMZBOCLSA-N 1 0 313.379 1.309 20 5 DDBDRO COc1cc(C(=O)N[C@@H](CC[NH3+])C(F)F)ccc1[N+](=O)[O-] ZINC000383521856 418733231 /nfs/dbraw/zinc/73/32/31/418733231.db2.gz VPPUFBKYCHIXAO-QMMMGPOBSA-N 1 0 303.265 1.316 20 5 DDBDRO C[C@@H]1C[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@@H]1CO ZINC000362067898 418747504 /nfs/dbraw/zinc/74/75/04/418747504.db2.gz RHVBBMQRZZTPEB-ZYHUDNBSSA-N 1 0 318.333 1.705 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1C[C@@H](C)CC[NH2+]1 ZINC000423062423 227331945 /nfs/dbraw/zinc/33/19/45/227331945.db2.gz NADBCYNSAMDKEY-GWCFXTLKSA-N 1 0 307.350 1.608 20 5 DDBDRO CC1(CNC(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])C[NH+](Cc2ccccc2)C1 ZINC000365564746 418876604 /nfs/dbraw/zinc/87/66/04/418876604.db2.gz NQUKJWWCAIJFKQ-KGLIPLIRSA-N 1 0 303.362 1.290 20 5 DDBDRO CCOc1ccc(C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)cc1[N+](=O)[O-] ZINC000372918049 418913778 /nfs/dbraw/zinc/91/37/78/418913778.db2.gz QTOUNWAHAQIAKE-YPMHNXCESA-N 1 0 319.361 1.818 20 5 DDBDRO O=C1CCCN1C[C@H]1CCCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000365833394 418914391 /nfs/dbraw/zinc/91/43/91/418914391.db2.gz FSSZVOCZGFZNQM-CYBMUJFWSA-N 1 0 321.381 1.268 20 5 DDBDRO Cc1c(CNC(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000418079082 419516140 /nfs/dbraw/zinc/51/61/40/419516140.db2.gz KGEVHWVYHCAJJO-UONOGXRCSA-N 1 0 318.377 1.654 20 5 DDBDRO C[C@H](NC(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000418232971 419633524 /nfs/dbraw/zinc/63/35/24/419633524.db2.gz NEJCUJWXSBSLKU-FPMFFAJLSA-N 1 0 318.377 1.907 20 5 DDBDRO C[C@H](NC(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000418232973 419634434 /nfs/dbraw/zinc/63/44/34/419634434.db2.gz NEJCUJWXSBSLKU-UBHSHLNASA-N 1 0 318.377 1.907 20 5 DDBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000426996320 419577706 /nfs/dbraw/zinc/57/77/06/419577706.db2.gz ZHQCRMQLSDOWCQ-OAHLLOKOSA-N 1 0 303.362 1.880 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CC[N@H+](CC)[C@@H](C)C2)n1 ZINC000427844432 419751555 /nfs/dbraw/zinc/75/15/55/419751555.db2.gz CUKBEFAKMNOQFE-NWDGAFQWSA-N 1 0 323.397 1.756 20 5 DDBDRO Cn1cc(CNC[C@H]2CCC[NH2+]2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000414845725 419836176 /nfs/dbraw/zinc/83/61/76/419836176.db2.gz MLFVGDCZMDYXKV-CQSZACIVSA-N 1 0 315.377 1.837 20 5 DDBDRO O=C(CCN1CC[C@@H]2[NH2+]CC[C@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000428036910 419796773 /nfs/dbraw/zinc/79/67/73/419796773.db2.gz RXFMPHXYENDRFA-WFASDCNBSA-N 1 0 318.377 1.607 20 5 DDBDRO C[C@@H](C[NH3+])NC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000418567754 419881230 /nfs/dbraw/zinc/88/12/30/419881230.db2.gz OGVJKMLFJMVWPH-WCQYABFASA-N 1 0 306.366 1.831 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1N(CC[NH+](C)C)Cc1ccccn1 ZINC000433425723 229207213 /nfs/dbraw/zinc/20/72/13/229207213.db2.gz STIKMLKPKHPOST-UHFFFAOYSA-N 1 0 304.354 1.292 20 5 DDBDRO CC[C@H]([NH3+])CNC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000418707884 419944471 /nfs/dbraw/zinc/94/44/71/419944471.db2.gz GQQJJXQNMZCRKO-LBPRGKRZSA-N 1 0 321.381 1.164 20 5 DDBDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(CCn2ccc([N+](=O)[O-])n2)C[C@@H](C)C1 ZINC000429027299 419963009 /nfs/dbraw/zinc/96/30/09/419963009.db2.gz DRMGBCUDPQHEQX-MGPQQGTHSA-N 1 0 307.398 1.453 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000422870286 419972649 /nfs/dbraw/zinc/97/26/49/419972649.db2.gz XOMPBTWXVLVMOJ-GHMZBOCLSA-N 1 0 307.350 1.851 20 5 DDBDRO C[NH2+][C@@H]1CCCN(C(=O)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000415356799 420033871 /nfs/dbraw/zinc/03/38/71/420033871.db2.gz HWYOHIUVGFVBHJ-GFCCVEGCSA-N 1 0 320.349 1.052 20 5 DDBDRO COC(=O)c1cc(C)nc(NCC2([NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000419012902 420043064 /nfs/dbraw/zinc/04/30/64/420043064.db2.gz XSBRULVGPYBPIR-UHFFFAOYSA-N 1 0 308.338 1.591 20 5 DDBDRO COc1cc(C(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)cc([N+](=O)[O-])c1C ZINC000423503970 420063669 /nfs/dbraw/zinc/06/36/69/420063669.db2.gz NFRKKDUUSLZMFN-NXEZZACHSA-N 1 0 307.350 1.734 20 5 DDBDRO COc1ccc(NC(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1[N+](=O)[O-] ZINC000415436130 420064960 /nfs/dbraw/zinc/06/49/60/420064960.db2.gz JHNDUDIWGNYRJZ-JQWIXIFHSA-N 1 0 320.349 1.819 20 5 DDBDRO COc1ccc(NC(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)cc1[N+](=O)[O-] ZINC000415447315 420070424 /nfs/dbraw/zinc/07/04/24/420070424.db2.gz UGSXCQXZCSKBDD-MNOVXSKESA-N 1 0 320.349 1.677 20 5 DDBDRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000423654252 420114996 /nfs/dbraw/zinc/11/49/96/420114996.db2.gz SISASLMNMZASMM-QWRGUYRKSA-N 1 0 315.333 1.342 20 5 DDBDRO COc1cccc(C(=O)NCCC[C@H]2CCC[NH2+]2)c1[N+](=O)[O-] ZINC000423704197 420133719 /nfs/dbraw/zinc/13/37/19/420133719.db2.gz MBTWJLSZMDZDNU-LLVKDONJSA-N 1 0 307.350 1.865 20 5 DDBDRO CC[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000423719026 420141563 /nfs/dbraw/zinc/14/15/63/420141563.db2.gz DUVLTZLWOIJGLT-KOLCDFICSA-N 1 0 303.322 1.798 20 5 DDBDRO C[NH2+]C[C@@H]1CCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000430925093 420208924 /nfs/dbraw/zinc/20/89/24/420208924.db2.gz KDQRVQKSYATVKZ-SWLSCSKDSA-N 1 0 318.377 1.241 20 5 DDBDRO C[C@]1([NH3+])CCCC[C@@H]1C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000423723660 420143849 /nfs/dbraw/zinc/14/38/49/420143849.db2.gz LWWISPLUSXMARP-ABAIWWIYSA-N 1 0 317.349 2.317 20 5 DDBDRO O=C(CCN1CC[C@H]2CC[C@@H](C1)[NH2+]2)Nc1ccccc1[N+](=O)[O-] ZINC000430587993 420148783 /nfs/dbraw/zinc/14/87/83/420148783.db2.gz YCONSFHDGJALJD-OLZOCXBDSA-N 1 0 318.377 1.750 20 5 DDBDRO C[NH2+]CC1CCN([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000430951785 420221465 /nfs/dbraw/zinc/22/14/65/420221465.db2.gz NGFPGQAXQGQJHW-GFCCVEGCSA-N 1 0 320.393 1.853 20 5 DDBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420382010 420249987 /nfs/dbraw/zinc/24/99/87/420249987.db2.gz PKOALTIUWNKQKX-AGIUHOORSA-N 1 0 320.393 1.839 20 5 DDBDRO C[C@@H]1CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](C)C[NH2+]1 ZINC000420406985 420266040 /nfs/dbraw/zinc/26/60/40/420266040.db2.gz VAUHPIGYQRXYMU-VXGBXAGGSA-N 1 0 306.366 1.606 20 5 DDBDRO Cc1cc(S(=O)(=O)N[C@H](C)CCC[NH3+])ccc1[N+](=O)[O-] ZINC000420435473 420285438 /nfs/dbraw/zinc/28/54/38/420285438.db2.gz GYAQZXBSOFXICR-SNVBAGLBSA-N 1 0 301.368 1.309 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC[C@@H]2CC[NH2+]C2)c1 ZINC000420441269 420288447 /nfs/dbraw/zinc/28/84/47/420288447.db2.gz VNDNTIHGJLBVNA-LLVKDONJSA-N 1 0 313.379 1.099 20 5 DDBDRO CC[C@@H]([NH3+])CNS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000420473912 420307032 /nfs/dbraw/zinc/30/70/32/420307032.db2.gz VGRPYXLBUDSTRV-SNVBAGLBSA-N 1 0 301.368 1.227 20 5 DDBDRO COCC[N@H+](C)CCCNc1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420588026 420324483 /nfs/dbraw/zinc/32/44/83/420324483.db2.gz QSOFGUKUWKYUSG-UHFFFAOYSA-N 1 0 310.354 1.074 20 5 DDBDRO Cc1cc(S(=O)(=O)NCCC[NH2+]C2CC2)ccc1[N+](=O)[O-] ZINC000420447069 420293420 /nfs/dbraw/zinc/29/34/20/420293420.db2.gz IYDLXUVBIHVBCH-UHFFFAOYSA-N 1 0 313.379 1.324 20 5 DDBDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000437754627 420422875 /nfs/dbraw/zinc/42/28/75/420422875.db2.gz DPIIPXIXXBXLIR-RTXFEEFZSA-N 1 0 322.365 1.247 20 5 DDBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1CCC[N@H+](CCCO)C1 ZINC000450619110 420499617 /nfs/dbraw/zinc/49/96/17/420499617.db2.gz UJAOLWPIBIHIGE-LBPRGKRZSA-N 1 0 311.386 1.378 20 5 DDBDRO Cc1ccc(C)c(S(=O)(=O)NC[C@H]([NH3+])C(C)C)c1[N+](=O)[O-] ZINC000440758539 420605583 /nfs/dbraw/zinc/60/55/83/420605583.db2.gz VZIPWBULFZGPIV-NSHDSACASA-N 1 0 315.395 1.473 20 5 DDBDRO CC1(C)CCC[N@@H+]1CCNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000457052135 420596962 /nfs/dbraw/zinc/59/69/62/420596962.db2.gz ILXRGGVRTLOKSZ-UHFFFAOYSA-N 1 0 306.366 1.781 20 5 DDBDRO CC1(C)CCC[N@@H+]1CCNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000457054865 420597792 /nfs/dbraw/zinc/59/77/92/420597792.db2.gz MBWJLSCROORSOK-UHFFFAOYSA-N 1 0 306.366 1.781 20 5 DDBDRO Cc1ccc(S(=O)(=O)N2C[C@H](C[NH3+])C[C@H]2C)c([N+](=O)[O-])c1 ZINC000447252172 420767892 /nfs/dbraw/zinc/76/78/92/420767892.db2.gz ZYWHTZATHYFXPK-MNOVXSKESA-N 1 0 313.379 1.261 20 5 DDBDRO C[C@H]1C[C@H](C[NH3+])CN1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000442767205 420712341 /nfs/dbraw/zinc/71/23/41/420712341.db2.gz QFOQTKFETMIELU-NWDGAFQWSA-N 1 0 318.377 1.153 20 5 DDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCN2CCCC2)n1 ZINC000447522444 420778816 /nfs/dbraw/zinc/77/88/16/420778816.db2.gz YRSXBJKYRKTBIX-ZIAGYGMSSA-N 1 0 307.398 1.960 20 5 DDBDRO C[N@H+]1C[C@H]2CN(C(=O)/C=C\c3cccc([N+](=O)[O-])c3)C[C@H]2C1 ZINC000493514359 420869719 /nfs/dbraw/zinc/86/97/19/420869719.db2.gz HIUKNSOIEMBULV-YOQOKRQFSA-N 1 0 301.346 1.628 20 5 DDBDRO C[C@@H]([NH2+]C1CC1)C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000449124477 420955145 /nfs/dbraw/zinc/95/51/45/420955145.db2.gz GMNIKAIVZHQXSM-ZYHUDNBSSA-N 1 0 319.365 1.143 20 5 DDBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000493788485 420942291 /nfs/dbraw/zinc/94/22/91/420942291.db2.gz MZWQRWFQWCUXHW-SYFOGONKSA-N 1 0 301.346 1.818 20 5 DDBDRO CCCc1n[nH]c(C(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000449649990 421046009 /nfs/dbraw/zinc/04/60/09/421046009.db2.gz SVOBCYAZAWZXPY-NXEZZACHSA-N 1 0 309.370 1.518 20 5 DDBDRO CCc1ccc(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)cc1[N+](=O)[O-] ZINC000449664700 421052424 /nfs/dbraw/zinc/05/24/24/421052424.db2.gz LPJIEGGGOPEFNN-GFCCVEGCSA-N 1 0 313.304 1.884 20 5 DDBDRO C[C@@H](NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)[C@H](C)[NH3+] ZINC000449589095 421033529 /nfs/dbraw/zinc/03/35/29/421033529.db2.gz MAWOXYZVGUEUGN-VHSXEESVSA-N 1 0 317.349 1.461 20 5 DDBDRO CC[C@H]1C[N@H+](CC)CCN1C(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000456342928 421145649 /nfs/dbraw/zinc/14/56/49/421145649.db2.gz GFBRLGPRYXDJKX-LBPRGKRZSA-N 1 0 309.370 1.042 20 5 DDBDRO C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccc(=O)[nH]n1 ZINC000560521313 421277559 /nfs/dbraw/zinc/27/75/59/421277559.db2.gz CNXCXTMTLYNNGU-SNVBAGLBSA-N 1 0 304.306 1.820 20 5 DDBDRO COc1cc(CN2CC[C@@H](OC(=O)N(C)C)C2)ccc1[N+](=O)[O-] ZINC000496973502 421345095 /nfs/dbraw/zinc/34/50/95/421345095.db2.gz JQVMYKXLTXAPDV-GFCCVEGCSA-N 1 0 323.349 1.876 20 5 DDBDRO COc1c(C(=O)NC[C@@H]2CCC[N@H+](C)C2)cccc1[N+](=O)[O-] ZINC000527245581 421369477 /nfs/dbraw/zinc/36/94/77/421369477.db2.gz VHMZTUXBQIELQR-NSHDSACASA-N 1 0 307.350 1.675 20 5 DDBDRO Nc1nccc(C(=O)NCC[NH+]2CCCCCC2)c1[N+](=O)[O-] ZINC000548059232 421394516 /nfs/dbraw/zinc/39/45/16/421394516.db2.gz QOEFCMMGDHEKHN-UHFFFAOYSA-N 1 0 307.354 1.178 20 5 DDBDRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000562980057 421434356 /nfs/dbraw/zinc/43/43/56/421434356.db2.gz HPPNRWAUYADTIM-NXEZZACHSA-N 1 0 321.333 1.571 20 5 DDBDRO Nc1nccc(C(=O)NC2CC[NH+](CC3CC3)CC2)c1[N+](=O)[O-] ZINC000548714243 421465316 /nfs/dbraw/zinc/46/53/16/421465316.db2.gz NWIPIJHZHZARKL-UHFFFAOYSA-N 1 0 319.365 1.176 20 5 DDBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000548713602 421465718 /nfs/dbraw/zinc/46/57/18/421465718.db2.gz XGRDLNXIXCWBCH-SNVBAGLBSA-N 1 0 307.354 1.176 20 5 DDBDRO CN1CC[NH2+]C[C@H]1CNc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000563957734 421561291 /nfs/dbraw/zinc/56/12/91/421561291.db2.gz HZLPLEQUAVKWKT-LBPRGKRZSA-N 1 0 305.382 1.184 20 5 DDBDRO CNc1nccc(C(=O)N[C@H]2CCC[N@@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000566923425 421610086 /nfs/dbraw/zinc/61/00/86/421610086.db2.gz IAPSDPPAUXJFHE-NSHDSACASA-N 1 0 321.381 1.634 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H]1CCC[C@H]1CO ZINC000571523949 421723412 /nfs/dbraw/zinc/72/34/12/421723412.db2.gz PDYQVLKTFVGZRK-XQQFMLRXSA-N 1 0 310.350 1.085 20 5 DDBDRO COc1ccc(CC(=O)N[C@@H](C)C[N@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000519041593 421677122 /nfs/dbraw/zinc/67/71/22/421677122.db2.gz ZSDIMKXQFQKWIE-LBPRGKRZSA-N 1 0 323.393 1.991 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NCC[N@H+](C)C1CCCCC1 ZINC000519068934 421678330 /nfs/dbraw/zinc/67/83/30/421678330.db2.gz HXLZIOWEANQNOY-UHFFFAOYSA-N 1 0 308.382 1.928 20 5 DDBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000581000825 421879112 /nfs/dbraw/zinc/87/91/12/421879112.db2.gz FTOVVVNDXKOZRG-CHWSQXEVSA-N 1 0 304.350 1.346 20 5 DDBDRO Nc1c(C(=O)N2CC[C@]3(C2)CCC[NH2+]C3)cccc1[N+](=O)[O-] ZINC000573803578 422018954 /nfs/dbraw/zinc/01/89/54/422018954.db2.gz BGLITHCZYBVSMK-OAHLLOKOSA-N 1 0 304.350 1.393 20 5 DDBDRO CCc1ccc(S(=O)(=O)N[C@@H](C)C[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000574277238 422087682 /nfs/dbraw/zinc/08/76/82/422087682.db2.gz TVOJYZNGHFNVGM-ZJUUUORDSA-N 1 0 315.395 1.561 20 5 DDBDRO COc1ccc(CC(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)cc1[N+](=O)[O-] ZINC000582419609 422150404 /nfs/dbraw/zinc/15/04/04/422150404.db2.gz VBQFOOIIVCDBBY-ZYHUDNBSSA-N 1 0 307.350 1.342 20 5 DDBDRO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000583908102 422214799 /nfs/dbraw/zinc/21/47/99/422214799.db2.gz PQPNPDDMFYFZAG-SNVBAGLBSA-N 1 0 323.349 1.782 20 5 DDBDRO CC[N@@H+]1CC[C@H](N(C)CCn2cc([N+](=O)[O-])ccc2=O)C[C@H]1C ZINC000341577687 271126665 /nfs/dbraw/zinc/12/66/65/271126665.db2.gz RYVFUWJXDHBKGM-KGLIPLIRSA-N 1 0 322.409 1.561 20 5 DDBDRO C[C@@H](NC(=O)[C@@H](C)C[NH+]1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000341921017 271248835 /nfs/dbraw/zinc/24/88/35/271248835.db2.gz HYCOTNQHSADIBJ-QWHCGFSZSA-N 1 0 321.377 1.740 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000342718716 271487275 /nfs/dbraw/zinc/48/72/75/271487275.db2.gz FSLQJROABMQSTM-GWCFXTLKSA-N 1 0 307.350 1.608 20 5 DDBDRO O=C(NC[C@@H]1CC[NH2+]C1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000342752325 271501426 /nfs/dbraw/zinc/50/14/26/271501426.db2.gz HFHSRPGTQZNDJZ-SNVBAGLBSA-N 1 0 304.350 1.508 20 5 DDBDRO CCCN(CC[NH+](C)C)C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000344869463 272132676 /nfs/dbraw/zinc/13/26/76/272132676.db2.gz GVCYNSFMFPIOFW-UHFFFAOYSA-N 1 0 322.409 1.831 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)N[C@H]2CCC[N@H+](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000345308426 272215875 /nfs/dbraw/zinc/21/58/75/272215875.db2.gz WZBOILMMRLHXGD-ZJUUUORDSA-N 1 0 309.370 1.654 20 5 DDBDRO CC[N@@H+]1C[C@H](C)N(C(=O)COc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000346053867 272399950 /nfs/dbraw/zinc/39/99/50/272399950.db2.gz UJAWROYQPHOHLL-OLZOCXBDSA-N 1 0 321.377 1.915 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CCC[C@H]([NH3+])C1 ZINC000346085896 272408945 /nfs/dbraw/zinc/40/89/45/272408945.db2.gz HULBAQWKFWWMNN-MNOVXSKESA-N 1 0 322.365 1.354 20 5 DDBDRO COCCC[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000171137955 274019807 /nfs/dbraw/zinc/01/98/07/274019807.db2.gz IFJAYTYGHBUUIA-UHFFFAOYSA-N 1 0 311.338 1.419 20 5 DDBDRO C[C@@H](O)C[NH+]1CCN(c2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000291781427 274270636 /nfs/dbraw/zinc/27/06/36/274270636.db2.gz COPCQMBWPGNMOB-GFCCVEGCSA-N 1 0 316.361 1.646 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)CS(C)(=O)=O ZINC000449148624 274498735 /nfs/dbraw/zinc/49/87/35/274498735.db2.gz UBHBUDCAZWKHJU-GHMZBOCLSA-N 1 0 300.380 1.549 20 5 DDBDRO CC[NH+]1CCN([C@H]2CCN(c3ccc([N+](=O)[O-])cc3F)C2)CC1 ZINC000106478493 276201902 /nfs/dbraw/zinc/20/19/02/276201902.db2.gz RPWKGAUENWWNGY-AWEZNQCLSA-N 1 0 322.384 1.950 20 5 DDBDRO C[N@@H+]1CCC[C@@]2(CCN(c3c(C(N)=O)cccc3[N+](=O)[O-])C2)C1 ZINC000420645861 277072526 /nfs/dbraw/zinc/07/25/26/277072526.db2.gz ZMHJPEYGBHLERZ-MRXNPFEDSA-N 1 0 318.377 1.616 20 5 DDBDRO C[NH2+][C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000422772632 277294895 /nfs/dbraw/zinc/29/48/95/277294895.db2.gz SPXOBHSPTSFIBG-LLVKDONJSA-N 1 0 314.345 1.967 20 5 DDBDRO C[C@@H]([NH3+])CCC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000237332570 277597130 /nfs/dbraw/zinc/59/71/30/277597130.db2.gz YVHOFRBGJYEAOF-GFCCVEGCSA-N 1 0 306.366 1.371 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000426852260 277840128 /nfs/dbraw/zinc/84/01/28/277840128.db2.gz YHAAPTASMXIVQT-CYBMUJFWSA-N 1 0 307.350 1.673 20 5 DDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCS(=O)(=O)C1 ZINC000449164926 278298863 /nfs/dbraw/zinc/29/88/63/278298863.db2.gz RXWMUNHHIRDBJG-AAEUAGOBSA-N 1 0 312.391 1.693 20 5 DDBDRO C[C@H]([NH2+]C1CC1)C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000449124358 279452031 /nfs/dbraw/zinc/45/20/31/279452031.db2.gz GMNIKAIVZHQXSM-CMPLNLGQSA-N 1 0 319.365 1.143 20 5 DDBDRO Cc1cc(C)c(S(=O)(=O)N[C@H](C)CC[NH3+])cc1[N+](=O)[O-] ZINC000440853656 280396026 /nfs/dbraw/zinc/39/60/26/280396026.db2.gz BVMJWWBUOXPHQF-SNVBAGLBSA-N 1 0 301.368 1.227 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC[C@H]([NH3+])C2CC2)c1C ZINC000194730906 281015718 /nfs/dbraw/zinc/01/57/18/281015718.db2.gz FNLJTPZXGYXZAZ-NSHDSACASA-N 1 0 313.379 1.227 20 5 DDBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](CC3(O)CCOCC3)C2)nc1 ZINC000122284013 281153786 /nfs/dbraw/zinc/15/37/86/281153786.db2.gz KDAXKWINGSMUPZ-GFCCVEGCSA-N 1 0 322.365 1.018 20 5 DDBDRO [NH3+][C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000123244098 281167970 /nfs/dbraw/zinc/16/79/70/281167970.db2.gz NYNUZLQKAIOHSS-HTQZYQBOSA-N 1 0 305.381 1.205 20 5 DDBDRO C[NH+]1CCC(NC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)CC1 ZINC000125193439 281203648 /nfs/dbraw/zinc/20/36/48/281203648.db2.gz ARVVVIYUNBBVRI-UHFFFAOYSA-N 1 0 318.377 1.757 20 5 DDBDRO C[C@H](O)C[C@@H]1CCC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000246745549 282011946 /nfs/dbraw/zinc/01/19/46/282011946.db2.gz PTXFMOQIANTXKX-KCQAQPDRSA-N 1 0 324.377 1.570 20 5 DDBDRO C[NH+](C)[C@H]1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000264003217 289384852 /nfs/dbraw/zinc/38/48/52/289384852.db2.gz SXQKQZLATBERRL-JTQLQIEISA-N 1 0 321.333 1.142 20 5 DDBDRO C[C@H]([NH3+])[C@H](C)NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000449594084 289788819 /nfs/dbraw/zinc/78/88/19/289788819.db2.gz XEXQQKWNBXDWOE-BQBZGAKWSA-N 1 0 316.155 1.823 20 5 DDBDRO COCCN(CC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])ccc1C ZINC000355212669 298675186 /nfs/dbraw/zinc/67/51/86/298675186.db2.gz OUTWHGCVWXCHBD-UHFFFAOYSA-N 1 0 309.366 1.553 20 5 DDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1C[C@H](CO)[C@H](C)C1 ZINC000362096547 300004177 /nfs/dbraw/zinc/00/41/77/300004177.db2.gz MWQTVAKGOCOSDS-IJLUTSLNSA-N 1 0 307.350 1.482 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cccc([N+](=O)[O-])c3N)C[C@@H]21 ZINC000362290459 300045099 /nfs/dbraw/zinc/04/50/99/300045099.db2.gz RVCCBSIBDURWLK-MFKMUULPSA-N 1 0 304.350 1.343 20 5 DDBDRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000362444039 300064615 /nfs/dbraw/zinc/06/46/15/300064615.db2.gz BRXQEAZRXZLQIJ-FZMZJTMJSA-N 1 0 306.366 1.321 20 5 DDBDRO O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)[C@@H]1C[C@@H]1[N+](=O)[O-] ZINC000363616938 300288093 /nfs/dbraw/zinc/28/80/93/300288093.db2.gz YRKJPJBDRCESJV-CABCVRRESA-N 1 0 321.352 1.572 20 5 DDBDRO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1ccc([N+](=O)[O-])cn1 ZINC000363874436 300319708 /nfs/dbraw/zinc/31/97/08/300319708.db2.gz JESNGQPTZPVPSG-LLVKDONJSA-N 1 0 304.350 1.737 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@]2(CCC[C@H]2[NH3+])C1 ZINC000364265329 300364742 /nfs/dbraw/zinc/36/47/42/300364742.db2.gz ZZZACXGYOADSTL-IUODEOHRSA-N 1 0 321.381 1.220 20 5 DDBDRO Cc1nn(CCC(=O)N[C@H]2CC23CC[NH2+]CC3)c(C)c1[N+](=O)[O-] ZINC000366577662 300720079 /nfs/dbraw/zinc/72/00/79/300720079.db2.gz YXGOIWRLMOOKRW-LBPRGKRZSA-N 1 0 321.381 1.057 20 5 DDBDRO O=C1CC[C@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@@H](C2CC2)N1 ZINC000367459754 300847838 /nfs/dbraw/zinc/84/78/38/300847838.db2.gz VRYWVAQQALLLRV-SQWLQELKSA-N 1 0 319.361 1.275 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCC(=O)N[C@@H]1C1CC1 ZINC000368504817 301043273 /nfs/dbraw/zinc/04/32/73/301043273.db2.gz SDICCRDUEXHITK-XJKSGUPXSA-N 1 0 319.361 1.750 20 5 DDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](CC(N)=O)C1 ZINC000368579787 301056464 /nfs/dbraw/zinc/05/64/64/301056464.db2.gz UIIKPGDLXUFWMH-MNOVXSKESA-N 1 0 320.349 1.119 20 5 DDBDRO COc1ccc(CN2CCC[N@@H+]([C@@H](C)CO)CC2)cc1[N+](=O)[O-] ZINC000368953016 301109339 /nfs/dbraw/zinc/10/93/39/301109339.db2.gz ZGYQZQFTUINXQY-ZDUSSCGKSA-N 1 0 323.393 1.492 20 5 DDBDRO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000368957645 301109979 /nfs/dbraw/zinc/10/99/79/301109979.db2.gz FAFWREAWUAHILJ-DFBGVHRSSA-N 1 0 319.361 1.559 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1CCCCC[NH2+]1 ZINC000575313093 304724553 /nfs/dbraw/zinc/72/45/53/304724553.db2.gz XXTKDEXFFCXAOO-ZDUSSCGKSA-N 1 0 307.350 1.752 20 5 DDBDRO NC(=O)c1ccc(C[N@@H+]2CCCO[C@@H]3CCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000369473837 301189526 /nfs/dbraw/zinc/18/95/26/301189526.db2.gz UFPJXCZFQYOQHD-DZGCQCFKSA-N 1 0 319.361 1.837 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)n1 ZINC000408025349 301204827 /nfs/dbraw/zinc/20/48/27/301204827.db2.gz BCEFJGYNIBODNU-OLZOCXBDSA-N 1 0 306.366 1.516 20 5 DDBDRO O=C(COc1ccccc1[N+](=O)[O-])N(C1CC1)C1CC[NH2+]CC1 ZINC000370790097 301393129 /nfs/dbraw/zinc/39/31/29/301393129.db2.gz YWLVOWHJDBRHBD-UHFFFAOYSA-N 1 0 319.361 1.717 20 5 DDBDRO C[N@@H+]1CCCC12CCN(C(=O)c1c(N)cccc1[N+](=O)[O-])CC2 ZINC000376829089 302109659 /nfs/dbraw/zinc/10/96/59/302109659.db2.gz RPKPEZVSFQFNRQ-UHFFFAOYSA-N 1 0 318.377 1.877 20 5 DDBDRO NC(=O)c1cc([N+](=O)[O-])cnc1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000377362857 302172741 /nfs/dbraw/zinc/17/27/41/302172741.db2.gz QSSHTEFZDMSRPO-NXEZZACHSA-N 1 0 305.338 1.127 20 5 DDBDRO Cc1cnc(NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)c([N+](=O)[O-])c1 ZINC000266213274 302363532 /nfs/dbraw/zinc/36/35/32/302363532.db2.gz NOYSATCSJBRHAJ-HNNXBMFYSA-N 1 0 321.425 1.982 20 5 DDBDRO C[C@@H]([NH2+][C@@H]1CCN(S(C)(=O)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000400235861 302369032 /nfs/dbraw/zinc/36/90/32/302369032.db2.gz UVTZACQIVOIASB-ZYHUDNBSSA-N 1 0 313.379 1.279 20 5 DDBDRO Cn1nc([N+](=O)[O-])cc1C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000356482632 306852899 /nfs/dbraw/zinc/85/28/99/306852899.db2.gz PVCPBZJSURDLRU-UHFFFAOYSA-N 1 0 309.370 1.323 20 5 DDBDRO C[NH+](C)[C@@H](CNC(=O)c1c[nH]nc1[N+](=O)[O-])c1cccc(F)c1 ZINC000547751990 303551424 /nfs/dbraw/zinc/55/14/24/303551424.db2.gz LXLWSZLNOBVGQS-LBPRGKRZSA-N 1 0 321.312 1.490 20 5 DDBDRO O=C(CCNc1ccccc1[N+](=O)[O-])NCCC[NH2+]C1CC1 ZINC000563168042 303928235 /nfs/dbraw/zinc/92/82/35/303928235.db2.gz VLFWJBMUCSTELI-UHFFFAOYSA-N 1 0 306.366 1.655 20 5 DDBDRO C[C@H]1CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC12CCC2 ZINC000371440808 307149768 /nfs/dbraw/zinc/14/97/68/307149768.db2.gz UIFZCKVGGOWFDQ-GXTWGEPZSA-N 1 0 308.382 1.664 20 5 DDBDRO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)[C@H]1C[C@@H]1[N+](=O)[O-] ZINC000371659989 307155571 /nfs/dbraw/zinc/15/55/71/307155571.db2.gz KIQXWXCHRLSYGX-UNQGMJICSA-N 1 0 318.377 1.073 20 5 DDBDRO O=C1O[C@H](C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)CC12CC2 ZINC000373220279 307181979 /nfs/dbraw/zinc/18/19/79/307181979.db2.gz NDBYWDFLMSNLEM-LBPRGKRZSA-N 1 0 320.349 1.524 20 5 DDBDRO CC(C)[C@H](C)NC(=O)CN1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000373587712 307190799 /nfs/dbraw/zinc/19/07/99/307190799.db2.gz YNTGQCUXBOJRLX-QWHCGFSZSA-N 1 0 323.397 1.589 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCCC[C@H](CO)C2)c1 ZINC000374047163 307200578 /nfs/dbraw/zinc/20/05/78/307200578.db2.gz ANYIWNKVDZIZNQ-ZFWWWQNUSA-N 1 0 324.377 1.429 20 5 DDBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000376561813 307247740 /nfs/dbraw/zinc/24/77/40/307247740.db2.gz JVNMMLWPZZGIOK-FZMZJTMJSA-N 1 0 304.350 1.689 20 5 DDBDRO O=C(c1ccc([N+](=O)[O-])cn1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000378141183 307282823 /nfs/dbraw/zinc/28/28/23/307282823.db2.gz KCZGOMWOGAISCO-ZDUSSCGKSA-N 1 0 318.377 1.938 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CCC2(CO)CC2)c1 ZINC000564977284 308015286 /nfs/dbraw/zinc/01/52/86/308015286.db2.gz ZQECEUOIZUBRTK-CYBMUJFWSA-N 1 0 310.350 1.087 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@@H]2CCCC[C@H]2O)c1 ZINC000566797741 308063843 /nfs/dbraw/zinc/06/38/43/308063843.db2.gz NLTGLWFLHLYCSQ-JGGQBBKZSA-N 1 0 324.377 1.475 20 5 DDBDRO C[C@H](Cn1cncn1)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000567680710 308089184 /nfs/dbraw/zinc/08/91/84/308089184.db2.gz CUYZILOEFMQMSF-LLVKDONJSA-N 1 0 318.337 1.193 20 5 DDBDRO C[C@@H]1CN(CCN=c2[nH]c3ccc([N+](=O)[O-])cc3[nH]2)CCO1 ZINC000571627103 308198852 /nfs/dbraw/zinc/19/88/52/308198852.db2.gz UHUHWIMXFNCOPC-SNVBAGLBSA-N 1 0 305.338 1.026 20 5 DDBDRO CC[C@H]1[NH2+]CC[C@H]1C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000573484717 308243499 /nfs/dbraw/zinc/24/34/99/308243499.db2.gz FQRVTTYVRMGKEO-CHWSQXEVSA-N 1 0 321.381 1.343 20 5 DDBDRO CC[NH2+]CCCNC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000576134026 308291456 /nfs/dbraw/zinc/29/14/56/308291456.db2.gz CDURVPBVBKOFSP-UHFFFAOYSA-N 1 0 310.354 1.272 20 5 DDBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000576755632 308337253 /nfs/dbraw/zinc/33/72/53/308337253.db2.gz SWYNDOFTKMAAOD-HBNTYKKESA-N 1 0 322.365 1.014 20 5 DDBDRO CC[C@H](C)[C@@H](O)C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000577280349 308376393 /nfs/dbraw/zinc/37/63/93/308376393.db2.gz ODXNTWYSVJTGQK-OBJOEFQTSA-N 1 0 312.366 1.331 20 5 DDBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@@H](CO)[C@@H]1CCOC1 ZINC000580724571 308626784 /nfs/dbraw/zinc/62/67/84/308626784.db2.gz GPUGBHHLLVHXOX-XUJVJEKNSA-N 1 0 306.362 1.817 20 5 DDBDRO O=C(N[C@@H]1C[NH+]2CCC1CC2)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC001120690956 782094985 /nfs/dbraw/zinc/09/49/85/782094985.db2.gz JUORJCVUXOHGIK-CYBMUJFWSA-N 1 0 314.345 1.900 20 5 DDBDRO C[C@H](CCc1ccccc1)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000390883238 483981215 /nfs/dbraw/zinc/98/12/15/483981215.db2.gz VLXKJZOLQGSXAN-CJNGLKHVSA-N 1 0 318.377 1.763 20 5 DDBDRO COC(=O)c1cc(C(=O)N[C@@H](C[NH3+])CC(C)C)cc([N+](=O)[O-])c1 ZINC000422834998 533739919 /nfs/dbraw/zinc/73/99/19/533739919.db2.gz OOCCQZLEXIXQFQ-GFCCVEGCSA-N 1 0 323.349 1.485 20 5 DDBDRO C[C@@H]1C[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])s2)CC[NH2+]1 ZINC000447252654 533960314 /nfs/dbraw/zinc/96/03/14/533960314.db2.gz SIOJVNDIUXRVSU-HTQZYQBOSA-N 1 0 305.381 1.075 20 5 DDBDRO C[C@H]1COCC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000331926358 534024636 /nfs/dbraw/zinc/02/46/36/534024636.db2.gz CUZOQUDSTBRKHI-TZMCWYRMSA-N 1 0 310.350 1.303 20 5 DDBDRO NC(=O)c1c[nH+]ccc1NCCNc1ccccc1[N+](=O)[O-] ZINC000302028040 534510533 /nfs/dbraw/zinc/51/05/33/534510533.db2.gz LYDLPYDDVKDICU-UHFFFAOYSA-N 1 0 301.306 1.613 20 5 DDBDRO C[C@@H]1CN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])[C@H](C)C[NH2+]1 ZINC000156193674 525047269 /nfs/dbraw/zinc/04/72/69/525047269.db2.gz IMBPRTGYELLMQG-RKDXNWHRSA-N 1 0 317.342 1.105 20 5 DDBDRO CCO[C@@H]1C[C@@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C12CCC2 ZINC000451471832 527834569 /nfs/dbraw/zinc/83/45/69/527834569.db2.gz IWZWLCAQDFVSQL-BFHYXJOUSA-N 1 0 324.381 1.090 20 5 DDBDRO CC[N@H+]1C[C@@H](C)N(CCn2cc([N+](=O)[O-])ccc2=O)[C@@H](C)C1 ZINC000459478307 527930439 /nfs/dbraw/zinc/93/04/39/527930439.db2.gz MZXGJZARRJVXGU-BETUJISGSA-N 1 0 308.382 1.171 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)NCC[C@@H]2CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000458182401 527999693 /nfs/dbraw/zinc/99/96/93/527999693.db2.gz DWBJNCARIAEUDQ-NSHDSACASA-N 1 0 323.397 1.903 20 5 DDBDRO CCOc1ccc(C(=O)N2CCC[C@@H]([NH3+])[C@H]2C)cc1[N+](=O)[O-] ZINC000457359507 528392241 /nfs/dbraw/zinc/39/22/41/528392241.db2.gz QPZIJINPHBRENN-ZYHUDNBSSA-N 1 0 307.350 1.945 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC1CC[NH2+]CC1 ZINC000415655873 528613732 /nfs/dbraw/zinc/61/37/32/528613732.db2.gz KPURIGCOETZOBI-UHFFFAOYSA-N 1 0 308.338 1.867 20 5 DDBDRO CC1(C)CCC[NH2+][C@H]1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000430694422 528952243 /nfs/dbraw/zinc/95/22/43/528952243.db2.gz DNTLKOPMEFTWLH-LBPRGKRZSA-N 1 0 324.356 1.824 20 5 DDBDRO C[C@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C[C@@H]1[NH+](C)C ZINC000820774425 606803771 /nfs/dbraw/zinc/80/37/71/606803771.db2.gz CMGXGCBXXNLHJA-ZANVPECISA-N 1 0 317.353 1.161 20 5 DDBDRO C[C@@H](CC[NH+](C)C)NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000157250399 696975462 /nfs/dbraw/zinc/97/54/62/696975462.db2.gz PLVBGPYVWGUFKY-VIFPVBQESA-N 1 0 319.358 1.352 20 5 DDBDRO COCCOC[C@@H]1CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776590326 698123855 /nfs/dbraw/zinc/12/38/55/698123855.db2.gz ZNRKORDBTXXAMA-CZUORRHYSA-N 1 0 324.377 1.613 20 5 DDBDRO COC(=O)N1CCC([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000777446142 698191382 /nfs/dbraw/zinc/19/13/82/698191382.db2.gz VTLMFKOHXQFMNB-AWEZNQCLSA-N 1 0 323.349 1.449 20 5 DDBDRO O=C1OCC[C@@H]1CC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000246983624 698359001 /nfs/dbraw/zinc/35/90/01/698359001.db2.gz QAGWSUMBXJLCBW-RYUDHWBXSA-N 1 0 320.349 1.429 20 5 DDBDRO Cn1ccnc1[C@H](N[C@H]1CC[N@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000780764749 698558456 /nfs/dbraw/zinc/55/84/56/698558456.db2.gz PVXHBMAJFBIZAR-DZGCQCFKSA-N 1 0 315.377 1.711 20 5 DDBDRO CN(Cc1ccc(Br)c([N+](=O)[O-])c1)C[C@H](O)C[NH3+] ZINC000310833649 698671784 /nfs/dbraw/zinc/67/17/84/698671784.db2.gz MFJYVAHSTPSEBR-SECBINFHSA-N 1 0 318.171 1.109 20 5 DDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000420413673 699139935 /nfs/dbraw/zinc/13/99/35/699139935.db2.gz ZWCGWUGTIRDENY-WBMJQRKESA-N 1 0 318.377 1.750 20 5 DDBDRO C[N@@H+]1CCCC[C@@H]1C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000757643439 700667259 /nfs/dbraw/zinc/66/72/59/700667259.db2.gz RLQRXNODJSVCMK-OAHLLOKOSA-N 1 0 303.362 1.964 20 5 DDBDRO Cc1cc(N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)nc(N)[nH+]1 ZINC000757993158 700679789 /nfs/dbraw/zinc/67/97/89/700679789.db2.gz CTZQBMNKTQWXSN-SNVBAGLBSA-N 1 0 315.337 1.361 20 5 DDBDRO C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000809732649 701683698 /nfs/dbraw/zinc/68/36/98/701683698.db2.gz INMLHECDSNINDW-XFBWCDHKSA-N 1 0 305.378 1.701 20 5 DDBDRO C[C@@H]1C[C@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CN1C1CC1 ZINC000765847422 701028802 /nfs/dbraw/zinc/02/88/02/701028802.db2.gz CHICXOHPGOLBCJ-PVXIVEMSSA-N 1 0 305.378 1.843 20 5 DDBDRO CC[C@H](C(=O)OCCn1c(C)ncc1[N+](=O)[O-])[NH+](CC)CC ZINC000765968361 701032615 /nfs/dbraw/zinc/03/26/15/701032615.db2.gz XRLIHRNXGXJIPG-GFCCVEGCSA-N 1 0 312.370 1.763 20 5 DDBDRO O=[N+]([O-])c1cccc([N+](=O)[O-])c1NC[C@@H](O)C[NH+]1CCCCC1 ZINC000804348664 701181286 /nfs/dbraw/zinc/18/12/86/701181286.db2.gz DMTIFWNHLVOBKK-LLVKDONJSA-N 1 0 324.337 1.762 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@@H]2[C@@H](O)c2ccccc2)n1 ZINC000879244226 706627197 /nfs/dbraw/zinc/62/71/97/706627197.db2.gz PHSWNPLSDZTMLH-ZBFHGGJFSA-N 1 0 316.361 1.989 20 5 DDBDRO C[C@H](NC(=O)CN(C)c1ccccc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000868012577 701891138 /nfs/dbraw/zinc/89/11/38/701891138.db2.gz RCROEHNCEOZPLO-LBPRGKRZSA-N 1 0 320.393 1.535 20 5 DDBDRO C[C@@](CO)([NH2+]CC[C@@H]1COC(C)(C)O1)c1cccc([N+](=O)[O-])c1 ZINC000879271091 706636139 /nfs/dbraw/zinc/63/61/39/706636139.db2.gz CXXQIIJIAHJCCC-ZBFHGGJFSA-N 1 0 324.377 1.934 20 5 DDBDRO CN1CC[NH+](C2CCN(c3ncc([N+](=O)[O-])cc3F)CC2)CC1 ZINC000866213802 706650979 /nfs/dbraw/zinc/65/09/79/706650979.db2.gz YWBCMMZBURHZDI-UHFFFAOYSA-N 1 0 323.372 1.345 20 5 DDBDRO Cc1cc(F)cc(C(=O)N2CC[C@H]3C[N@@H+](C)C[C@@H]32)c1[N+](=O)[O-] ZINC000816953610 702237259 /nfs/dbraw/zinc/23/72/59/702237259.db2.gz KJWUOKUPMYUVMQ-GWCFXTLKSA-N 1 0 307.325 1.818 20 5 DDBDRO CCc1ncc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)cn1 ZINC000840945716 702289707 /nfs/dbraw/zinc/28/97/07/702289707.db2.gz AFFSUTJXWFQPHE-UHFFFAOYSA-N 1 0 301.350 1.913 20 5 DDBDRO CC[C@H]([NH3+])CNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000841257783 702405148 /nfs/dbraw/zinc/40/51/48/702405148.db2.gz WHGLVRRNNCMOHC-ZETCQYMHSA-N 1 0 314.729 1.040 20 5 DDBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H](CO)c1cnn(C)c1 ZINC000866310962 706670789 /nfs/dbraw/zinc/67/07/89/706670789.db2.gz HPIAFCDOPFTEGC-HZMBPMFUSA-N 1 0 322.340 1.722 20 5 DDBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H](C)S(C)(=O)=O ZINC000866311143 706671036 /nfs/dbraw/zinc/67/10/36/706671036.db2.gz QWRCFRPGHZJDRE-ZJUUUORDSA-N 1 0 318.370 1.688 20 5 DDBDRO Cc1cc(C(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)c(N)c([N+](=O)[O-])c1 ZINC000818009612 702552294 /nfs/dbraw/zinc/55/22/94/702552294.db2.gz WNWZVJGZVYHNAR-WDEREUQCSA-N 1 0 306.366 1.542 20 5 DDBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@]1(C)CCC(=O)N1 ZINC000866370217 706683138 /nfs/dbraw/zinc/68/31/38/706683138.db2.gz UKLAFXHASBFIMR-BMIGLBTASA-N 1 0 309.341 1.923 20 5 DDBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1CCC(=O)N(C)C1=O ZINC000866378821 706685198 /nfs/dbraw/zinc/68/51/98/706685198.db2.gz CRFSDYHVEIOSKA-CABZTGNLSA-N 1 0 323.324 1.402 20 5 DDBDRO C[C@H]([NH3+])[C@H](C)NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000842008047 702654153 /nfs/dbraw/zinc/65/41/53/702654153.db2.gz VCSZUMJJSJFPPZ-RYUDHWBXSA-N 1 0 321.381 1.162 20 5 DDBDRO C[NH2+][C@@H]1CCN(S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)C1 ZINC000842683808 702756073 /nfs/dbraw/zinc/75/60/73/702756073.db2.gz RXFYFPQXEAIPKH-SECBINFHSA-N 1 0 317.342 1.025 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@H](O)COCC2CC2)c1 ZINC000843068202 702812834 /nfs/dbraw/zinc/81/28/34/702812834.db2.gz LAZJXAYWBFJVEE-GJZGRUSLSA-N 1 0 310.350 1.005 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]Cc2ccc(CO)cc2)c1 ZINC000843076922 702814633 /nfs/dbraw/zinc/81/46/33/702814633.db2.gz ZYVVPOWSVHTVBP-MRXNPFEDSA-N 1 0 302.330 1.910 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@@H](O)c2ccccn2)cc1 ZINC000843096797 702818475 /nfs/dbraw/zinc/81/84/75/702818475.db2.gz VCJHHXXQZZVSNR-HUUCEWRRSA-N 1 0 303.318 1.346 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H](CO)[C@H]2CCCOC2)cc1 ZINC000843116601 702822186 /nfs/dbraw/zinc/82/21/86/702822186.db2.gz QYMHUGFSOZLKIH-AEGPPILISA-N 1 0 310.350 1.005 20 5 DDBDRO C[NH2+][C@H]1CCN(C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)C1 ZINC000843293545 702855375 /nfs/dbraw/zinc/85/53/75/702855375.db2.gz JFCOLIDVBJTHOM-JTQLQIEISA-N 1 0 308.294 1.245 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)NC[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000843334621 702861295 /nfs/dbraw/zinc/86/12/95/702861295.db2.gz JPGDPNQLMRCIAD-SNVBAGLBSA-N 1 0 308.294 1.293 20 5 DDBDRO CC[NH2+][C@H](C)CNC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000843475003 702889301 /nfs/dbraw/zinc/88/93/01/702889301.db2.gz VOQIYLSIGKLXGQ-MRVPVSSYSA-N 1 0 310.310 1.539 20 5 DDBDRO [NH3+]CC[C@@H](NC(=O)COc1ccc([N+](=O)[O-])c(F)c1)C(F)F ZINC000843484088 702890961 /nfs/dbraw/zinc/89/09/61/702890961.db2.gz MDZLDXQZQICUAM-SECBINFHSA-N 1 0 321.255 1.211 20 5 DDBDRO COC(=O)CC[C@@H]([NH3+])C(=O)N1CCc2cc(C)c([N+](=O)[O-])cc21 ZINC000843495468 702893708 /nfs/dbraw/zinc/89/37/08/702893708.db2.gz SDCSDMYQQGYODU-LLVKDONJSA-N 1 0 321.333 1.073 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CCC(C3(O)CC3)CC2)c1 ZINC000844363060 703019780 /nfs/dbraw/zinc/01/97/80/703019780.db2.gz NFGAHKSZAMESFD-HNNXBMFYSA-N 1 0 306.362 1.865 20 5 DDBDRO Cc1cc(Cc2noc([C@@H](N)CC[NH+](C)C)n2)ccc1[N+](=O)[O-] ZINC000844913836 703084253 /nfs/dbraw/zinc/08/42/53/703084253.db2.gz VWUPLHLOJJPCPR-LBPRGKRZSA-N 1 0 319.365 1.829 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3ccc(F)cc3[N+](=O)[O-])C[C@@H]2C1 ZINC000846190385 703248853 /nfs/dbraw/zinc/24/88/53/703248853.db2.gz XOJDAHSSVIYFIU-OLZOCXBDSA-N 1 0 321.352 1.687 20 5 DDBDRO COCC[NH2+]C1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000846686972 703317564 /nfs/dbraw/zinc/31/75/64/703317564.db2.gz KKIJEHNEDBYHQU-UHFFFAOYSA-N 1 0 322.365 1.018 20 5 DDBDRO COCC[NH+]1CCC(OC(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC000847886990 703481358 /nfs/dbraw/zinc/48/13/58/703481358.db2.gz WLHLBOQIBXYKIT-UHFFFAOYSA-N 1 0 302.371 1.476 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000866719767 706775307 /nfs/dbraw/zinc/77/53/07/706775307.db2.gz CXEZKNNSBATZOY-HUUCEWRRSA-N 1 0 318.377 1.668 20 5 DDBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)CCOC1C[NH2+]C1)CC2 ZINC000818608417 703939161 /nfs/dbraw/zinc/93/91/61/703939161.db2.gz CPFOKJHOOBXIQJ-UHFFFAOYSA-N 1 0 305.334 1.171 20 5 DDBDRO CO[C@@H](C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000819070659 704065175 /nfs/dbraw/zinc/06/51/75/704065175.db2.gz YTMYXMXSGXXBFE-QWRGUYRKSA-N 1 0 308.256 1.795 20 5 DDBDRO CC(C)[C@H](C[NH+](C)C)OC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000870570244 704077494 /nfs/dbraw/zinc/07/74/94/704077494.db2.gz MJLLIYQQNGTHSG-LBPRGKRZSA-N 1 0 312.370 1.656 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CCOc2ncccc2F)cc1 ZINC000819183003 704083085 /nfs/dbraw/zinc/08/30/85/704083085.db2.gz LACWSJCRLIWRFR-CQSZACIVSA-N 1 0 321.308 1.831 20 5 DDBDRO COC(=O)[C@@H]1CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000852651393 704092411 /nfs/dbraw/zinc/09/24/11/704092411.db2.gz BDZORCBHIRHVRE-NILFDRSVSA-N 1 0 322.361 1.759 20 5 DDBDRO CCn1cccc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)c1=O ZINC000819272416 704098431 /nfs/dbraw/zinc/09/84/31/704098431.db2.gz VEQLNKLFWUAPHO-HNNXBMFYSA-N 1 0 317.345 1.600 20 5 DDBDRO CC[C@H]([NH2+]C)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000852771104 704120090 /nfs/dbraw/zinc/12/00/90/704120090.db2.gz BLINSVHUBSJWAV-AWEZNQCLSA-N 1 0 306.366 1.241 20 5 DDBDRO CC[C@@H]([NH2+]C)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000852771105 704120206 /nfs/dbraw/zinc/12/02/06/704120206.db2.gz BLINSVHUBSJWAV-CQSZACIVSA-N 1 0 306.366 1.241 20 5 DDBDRO [NH3+]C1(CNC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CCCC1 ZINC000852852823 704148312 /nfs/dbraw/zinc/14/83/12/704148312.db2.gz KIKNGTBZEZPBDE-UHFFFAOYSA-N 1 0 317.349 1.332 20 5 DDBDRO C[N@@H+]1C[C@H]2CCN(C(=O)CCc3cc(F)ccc3[N+](=O)[O-])[C@@H]2C1 ZINC000820264839 704248724 /nfs/dbraw/zinc/24/87/24/704248724.db2.gz SNGZPRRJUHAGET-IUODEOHRSA-N 1 0 321.352 1.829 20 5 DDBDRO CN(C[C@@H]1CCCO1)Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853497003 704250680 /nfs/dbraw/zinc/25/06/80/704250680.db2.gz NQWBNRWQEUNEMW-LBPRGKRZSA-N 1 0 317.349 1.922 20 5 DDBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000820504302 704291713 /nfs/dbraw/zinc/29/17/13/704291713.db2.gz SXRIVKNIPZKBNM-PRHODGIISA-N 1 0 310.329 1.481 20 5 DDBDRO CC(C)(CCc1noc(-c2c[nH]nc2[C@@H]2CC[NH2+]C2)n1)[N+](=O)[O-] ZINC000854158592 704363306 /nfs/dbraw/zinc/36/33/06/704363306.db2.gz XWHCAPNMINVIGH-SECBINFHSA-N 1 0 320.353 1.525 20 5 DDBDRO C[NH2+][C@H]1CCN(C(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)C1 ZINC000857762985 704621573 /nfs/dbraw/zinc/62/15/73/704621573.db2.gz KTVHLCKNLXEZAO-VIFPVBQESA-N 1 0 315.276 1.387 20 5 DDBDRO O=C(N[C@H]1CC[NH2+]C1)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857763096 704621792 /nfs/dbraw/zinc/62/17/92/704621792.db2.gz PFHLJTOWJKUWHF-QMMMGPOBSA-N 1 0 301.249 1.045 20 5 DDBDRO C[C@@H]1C[NH2+]CCN1C(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857764695 704621974 /nfs/dbraw/zinc/62/19/74/704621974.db2.gz XQAQIZGDIRWZCE-SECBINFHSA-N 1 0 315.276 1.387 20 5 DDBDRO [NH3+]CCN(CCO)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000857765535 704622332 /nfs/dbraw/zinc/62/23/32/704622332.db2.gz CASCMBVZUHJVSE-UHFFFAOYSA-N 1 0 302.718 1.033 20 5 DDBDRO CC[C@H](C)[NH+]1CCN(C(=O)Cn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000821847783 704825005 /nfs/dbraw/zinc/82/50/05/704825005.db2.gz IZRSJJVDQBVNOT-NSHDSACASA-N 1 0 309.370 1.042 20 5 DDBDRO CC(=O)NC[C@H]1CCCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000860176333 705123518 /nfs/dbraw/zinc/12/35/18/705123518.db2.gz CWPPCGXTUCIRBD-CVEARBPZSA-N 1 0 321.377 1.619 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1-c1noc([C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)n1 ZINC000823089792 705136248 /nfs/dbraw/zinc/13/62/48/705136248.db2.gz YEGQGTHUSLYRQZ-GUBZILKMSA-N 1 0 318.337 1.972 20 5 DDBDRO COc1cc(Cc2noc([C@@H](C)C[NH3+])n2)c([N+](=O)[O-])c(OC)c1 ZINC000823145903 705152503 /nfs/dbraw/zinc/15/25/03/705152503.db2.gz LAWCPYCQTSPGBD-QMMMGPOBSA-N 1 0 322.321 1.648 20 5 DDBDRO CC(C)(c1nc(N2CC[NH2+]CC2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000823309734 705203239 /nfs/dbraw/zinc/20/32/39/705203239.db2.gz LHSOHFMZIIZSQU-UHFFFAOYSA-N 1 0 317.349 1.713 20 5 DDBDRO CO[C@@H]1C[N@H+](C)[C@](C)(COC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000861338953 705433170 /nfs/dbraw/zinc/43/31/70/705433170.db2.gz KMKMRHBCANVRCQ-ZFWWWQNUSA-N 1 0 308.334 1.861 20 5 DDBDRO O=C(/C=C/[C@H]1CCC[NH2+]C1)NCCc1ccc([N+](=O)[O-])cc1 ZINC000876613494 705784544 /nfs/dbraw/zinc/78/45/44/705784544.db2.gz PWHIAQWLMDPUBQ-LHRNQBEKSA-N 1 0 303.362 1.809 20 5 DDBDRO CNc1c(C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)cccc1[N+](=O)[O-] ZINC000827278611 705967140 /nfs/dbraw/zinc/96/71/40/705967140.db2.gz XLANGEAKKQFEIA-DGCLKSJQSA-N 1 0 318.377 1.803 20 5 DDBDRO C[C@H]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C[NH2+]1 ZINC000877050072 705972043 /nfs/dbraw/zinc/97/20/43/705972043.db2.gz XSSANNGFRAOPMJ-QWRGUYRKSA-N 1 0 306.366 1.531 20 5 DDBDRO CCc1n[nH]c(C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000827328914 705976251 /nfs/dbraw/zinc/97/62/51/705976251.db2.gz FTMIGKANZPNMFK-GXSJLCMTSA-N 1 0 307.354 1.047 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)COc3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000827374767 705988865 /nfs/dbraw/zinc/98/88/65/705988865.db2.gz PUIPHAFKSICHDQ-OLZOCXBDSA-N 1 0 319.361 1.526 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000877373749 706085015 /nfs/dbraw/zinc/08/50/15/706085015.db2.gz HRLUESVJZLEYSO-MEDUHNTESA-N 1 0 319.361 1.675 20 5 DDBDRO O=C(CNc1ccccc1[N+](=O)[O-])N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000877395652 706094535 /nfs/dbraw/zinc/09/45/35/706094535.db2.gz LRBSVMRGDGUVIA-DZGCQCFKSA-N 1 0 304.350 1.408 20 5 DDBDRO COCC1(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CCOCC1 ZINC000877544250 706137850 /nfs/dbraw/zinc/13/78/50/706137850.db2.gz UJQWOVJNAFRADC-UHFFFAOYSA-N 1 0 324.381 1.528 20 5 DDBDRO Cn1ncc(C2CC2)c1C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877631171 706164948 /nfs/dbraw/zinc/16/49/48/706164948.db2.gz PPIAJLUFBRDBET-UHFFFAOYSA-N 1 0 316.365 1.896 20 5 DDBDRO C[C@@H]([NH3+])CN(C)C(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000864616299 706214111 /nfs/dbraw/zinc/21/41/11/706214111.db2.gz HTDFIDRDDQBVNB-MRVPVSSYSA-N 1 0 303.265 1.372 20 5 DDBDRO O=C(Cc1cccc(F)c1[N+](=O)[O-])N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000865006259 706323843 /nfs/dbraw/zinc/32/38/43/706323843.db2.gz HGPWXLSHZCGZIP-LLVKDONJSA-N 1 0 307.325 1.629 20 5 DDBDRO O=[N+]([O-])c1cc(CO)c(N2CC[C@@H]([NH+]3CC=CC3)C2)cc1F ZINC000865561579 706464099 /nfs/dbraw/zinc/46/40/99/706464099.db2.gz NRMFZUFMGNGRRU-GFCCVEGCSA-N 1 0 307.325 1.677 20 5 DDBDRO C[C@@H]1C(=O)N(C)[C@H](C)[C@H](C)N1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000878752276 706488845 /nfs/dbraw/zinc/48/88/45/706488845.db2.gz KKMOKANWXVFEFM-ZAZJYDDPSA-N 1 0 321.377 1.568 20 5 DDBDRO NC(=O)[C@H](F)C1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000879044769 706571427 /nfs/dbraw/zinc/57/14/27/706571427.db2.gz FYNCATUVCWIMFA-CQSZACIVSA-N 1 0 309.341 1.673 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@@H](c2nccs2)C1 ZINC000880320732 706939809 /nfs/dbraw/zinc/93/98/09/706939809.db2.gz XKZZAWVFFHOCTR-LLVKDONJSA-N 1 0 320.374 1.703 20 5 DDBDRO C[C@@H]1CC[C@H](CO)[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000880442927 706978002 /nfs/dbraw/zinc/97/80/02/706978002.db2.gz YGCZCILROIFFOZ-BNOWGMLFSA-N 1 0 310.350 1.180 20 5 DDBDRO O=[N+]([O-])c1ccc(Cn2cc(C[C@@H]3CCC[NH2+]C3)nn2)cc1F ZINC000881214107 707155358 /nfs/dbraw/zinc/15/53/58/707155358.db2.gz XDNAKHDQHQNABN-NSHDSACASA-N 1 0 319.340 1.916 20 5 DDBDRO CC(C)C[N@@H+]1CCO[C@H](COC(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000835158558 707185352 /nfs/dbraw/zinc/18/53/52/707185352.db2.gz HXYIFZXVUJOUEI-ZDUSSCGKSA-N 1 0 316.398 1.722 20 5 DDBDRO C[C@H]([NH2+]C[C@H](O)c1cnn(C)c1)c1c(F)cccc1[N+](=O)[O-] ZINC000872039691 707284469 /nfs/dbraw/zinc/28/44/69/707284469.db2.gz UFKMKYKHPJEMKM-ZANVPECISA-N 1 0 308.313 1.852 20 5 DDBDRO C[C@@H]1CN(c2ccnc(F)c2[N+](=O)[O-])CC[N@@H+]1CC(C)(C)O ZINC000882232816 707550963 /nfs/dbraw/zinc/55/09/63/707550963.db2.gz AVKLDDQLKJYEPD-SNVBAGLBSA-N 1 0 312.345 1.410 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H]1CCS(=O)(=O)[C@@H]1C ZINC000873148318 707749538 /nfs/dbraw/zinc/74/95/38/707749538.db2.gz LEXYFGMYAPQFFW-DGCLKSJQSA-N 1 0 312.391 1.877 20 5 DDBDRO O=C(OCC[NH+]1CCCCC1)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000838287674 707888574 /nfs/dbraw/zinc/88/85/74/707888574.db2.gz ZXZJIBXHTOLACW-AWEZNQCLSA-N 1 0 308.334 1.657 20 5 DDBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000883598518 708034598 /nfs/dbraw/zinc/03/45/98/708034598.db2.gz JNDRGSAELUHLSG-CYBMUJFWSA-N 1 0 306.366 1.797 20 5 DDBDRO C[C@H](CNC(=O)NCC[NH+]1CCC1)c1ccccc1[N+](=O)[O-] ZINC000897060706 708219691 /nfs/dbraw/zinc/21/96/91/708219691.db2.gz CTIXYYWOJWLOHH-GFCCVEGCSA-N 1 0 306.366 1.703 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCC[N@@H+]2CCC(C)(C)C2)n1 ZINC000897249654 708268505 /nfs/dbraw/zinc/26/85/05/708268505.db2.gz YNPKDLJBANSSHQ-UHFFFAOYSA-N 1 0 322.365 1.920 20 5 DDBDRO C[C@@H]1CN(c2cc[nH+]cc2)CCN1c1ncc([N+](=O)[O-])cn1 ZINC000884856038 708395845 /nfs/dbraw/zinc/39/58/45/708395845.db2.gz YLMSOCMOYUMWLY-LLVKDONJSA-N 1 0 300.322 1.495 20 5 DDBDRO CC1([C@H]2CCC[N@H+](Cc3cccnc3[N+](=O)[O-])C2)OCCO1 ZINC000886125270 708702198 /nfs/dbraw/zinc/70/21/98/708702198.db2.gz MUXMJKGTYSRWGA-ZDUSSCGKSA-N 1 0 307.350 1.965 20 5 DDBDRO Cc1ccccc1[C@H](CO)[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000886433799 708760411 /nfs/dbraw/zinc/76/04/11/708760411.db2.gz UXPBEQRZQBPZRZ-HNNXBMFYSA-N 1 0 304.350 1.765 20 5 DDBDRO O=C(NC[C@@H]1C[NH2+]CCC1(F)F)Nc1ccc([N+](=O)[O-])cc1 ZINC000886944726 708899699 /nfs/dbraw/zinc/89/96/99/708899699.db2.gz VGTVWLJFHMOFLE-VIFPVBQESA-N 1 0 314.292 1.961 20 5 DDBDRO COc1ccc(NC(=O)NC[C@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000887961348 709181143 /nfs/dbraw/zinc/18/11/43/709181143.db2.gz MIMIZWSRHBRMET-JTQLQIEISA-N 1 0 310.354 1.923 20 5 DDBDRO Cc1ccc(NC(=O)C[C@]2(O)CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000899911122 709235245 /nfs/dbraw/zinc/23/52/45/709235245.db2.gz OAXNEZWABKTOKH-OAHLLOKOSA-N 1 0 307.350 1.689 20 5 DDBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000891446118 710203404 /nfs/dbraw/zinc/20/34/04/710203404.db2.gz LZCRJVVLSYBFHV-KGLIPLIRSA-N 1 0 304.350 1.631 20 5 DDBDRO CC(C)[C@@H](CNc1c([N+](=O)[O-])cnn1C)[NH+]1CCN(C)CC1 ZINC000891681525 710265046 /nfs/dbraw/zinc/26/50/46/710265046.db2.gz VYXNXLMCRPVRRD-GFCCVEGCSA-N 1 0 310.402 1.012 20 5 DDBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000891722325 710275680 /nfs/dbraw/zinc/27/56/80/710275680.db2.gz BZYUKMWPRFKYEE-GOEBONIOSA-N 1 0 318.377 1.721 20 5 DDBDRO CCN(C(=O)NCCc1cccc([N+](=O)[O-])c1)[C@H]1CC[NH2+]C1 ZINC000891724047 710276141 /nfs/dbraw/zinc/27/61/41/710276141.db2.gz XHAHIKUJTZIVCI-AWEZNQCLSA-N 1 0 306.366 1.531 20 5 DDBDRO Cn1c2ccccc2c(NC[C@@H]2CC[N@H+](C)C2)c([N+](=O)[O-])c1=O ZINC000892319591 710416021 /nfs/dbraw/zinc/41/60/21/710416021.db2.gz MNCIJCGEFCJRDV-NSHDSACASA-N 1 0 316.361 1.810 20 5 DDBDRO CCN(C(=O)NCc1ccc(C)c([N+](=O)[O-])c1)[C@H]1CC[NH2+]C1 ZINC000892537231 710454041 /nfs/dbraw/zinc/45/40/41/710454041.db2.gz PTGIGWPOYCRFHQ-ZDUSSCGKSA-N 1 0 306.366 1.797 20 5 DDBDRO CN(CC[NH+](C)C)c1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC000892777781 710497198 /nfs/dbraw/zinc/49/71/98/710497198.db2.gz SBZAJCXULDEGBP-UHFFFAOYSA-N 1 0 304.350 1.445 20 5 DDBDRO COc1c(O)ccc(CN2C[C@@H](C)[N@H+](C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000893668092 710770064 /nfs/dbraw/zinc/77/00/64/710770064.db2.gz CXBDJEYSERJQBN-MNOVXSKESA-N 1 0 309.366 1.833 20 5 DDBDRO COc1cc([C@@H](C)[NH2+][C@@H](C)CN2CCOCC2)cc([N+](=O)[O-])c1 ZINC000903069463 711022777 /nfs/dbraw/zinc/02/27/77/711022777.db2.gz WCKLMBFPRFWKAI-QWHCGFSZSA-N 1 0 323.393 1.975 20 5 DDBDRO COc1cc([C@@H](C)[NH2+]CC[C@]2(O)CCOC2)cc([N+](=O)[O-])c1 ZINC000903194144 711060355 /nfs/dbraw/zinc/06/03/55/711060355.db2.gz JFWGPUGNWGUEGM-ABAIWWIYSA-N 1 0 310.350 1.796 20 5 DDBDRO COc1cc([C@@H](C)[NH2+]CCN2CC[C@@H](O)C2)cc([N+](=O)[O-])c1 ZINC000903206667 711064794 /nfs/dbraw/zinc/06/47/94/711064794.db2.gz LWSCCXWDWCMLQL-BXUZGUMPSA-N 1 0 309.366 1.321 20 5 DDBDRO C[N@@H+]1CC[C@H]1CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000928564231 713229205 /nfs/dbraw/zinc/22/92/05/713229205.db2.gz VOBQATULNRAPTI-ZDUSSCGKSA-N 1 0 302.334 1.370 20 5 DDBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(C[C@H]2CCC[NH2+]2)CC1 ZINC000903439500 711126948 /nfs/dbraw/zinc/12/69/48/711126948.db2.gz IOLZNGCMIVMKPV-CQSZACIVSA-N 1 0 318.377 1.105 20 5 DDBDRO C[C@@H]1C[C@H](C(=O)NCCNc2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000912113296 711178522 /nfs/dbraw/zinc/17/85/22/711178522.db2.gz OERZPVPLQBQRDI-VXGBXAGGSA-N 1 0 306.366 1.511 20 5 DDBDRO C[NH2+]CCN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000903572381 711202673 /nfs/dbraw/zinc/20/26/73/711202673.db2.gz MWSDWRKOHKKLAE-UHFFFAOYSA-N 1 0 308.382 1.853 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC[C@@]12CC[NH2+]C2 ZINC000903871324 711310702 /nfs/dbraw/zinc/31/07/02/711310702.db2.gz SEZCWAQMGMFFHO-BBRMVZONSA-N 1 0 321.377 1.162 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC[C@]12CC[NH2+]C2 ZINC000903871328 711310713 /nfs/dbraw/zinc/31/07/13/711310713.db2.gz SEZCWAQMGMFFHO-CZUORRHYSA-N 1 0 321.377 1.162 20 5 DDBDRO COC[C@@H]1C[NH2+]CCN1Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000903876895 711313451 /nfs/dbraw/zinc/31/34/51/711313451.db2.gz OWQRBLYWHDPTQN-HNNXBMFYSA-N 1 0 323.393 1.802 20 5 DDBDRO C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000913537963 713249314 /nfs/dbraw/zinc/24/93/14/713249314.db2.gz TWHQQTOKYJFTAF-BETUJISGSA-N 1 0 319.361 1.669 20 5 DDBDRO COC(=O)c1cnc(N2CC[C@@H](CC[NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000895323879 711484334 /nfs/dbraw/zinc/48/43/34/711484334.db2.gz AVQMOPJTPYSXBV-LLVKDONJSA-N 1 0 322.365 1.554 20 5 DDBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NC23CC[NH+](CC2)C3)c1 ZINC000913626329 713271468 /nfs/dbraw/zinc/27/14/68/713271468.db2.gz NQWGXWWNYSSTNR-UHFFFAOYSA-N 1 0 307.375 1.895 20 5 DDBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000896523832 711738084 /nfs/dbraw/zinc/73/80/84/711738084.db2.gz QYPQENCWBGYVEF-ZDUSSCGKSA-N 1 0 323.397 1.785 20 5 DDBDRO CO[C@@]1(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CCSC1 ZINC000896567525 711754235 /nfs/dbraw/zinc/75/42/35/711754235.db2.gz KCDYZPFONCBNBK-GCZXYKMCSA-N 1 0 312.395 1.607 20 5 DDBDRO C[NH+](C)CC1(O)CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000913682146 713280254 /nfs/dbraw/zinc/28/02/54/713280254.db2.gz QBORCIAOQPSHLF-UHFFFAOYSA-N 1 0 307.350 1.124 20 5 DDBDRO CO[C@]1(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CCSC1 ZINC000905546838 712072996 /nfs/dbraw/zinc/07/29/96/712072996.db2.gz PJSKYNNNMQHWTF-KBPBESRZSA-N 1 0 312.391 1.740 20 5 DDBDRO O=[N+]([O-])c1ncccc1COc1cccc(N2CC[NH2+]CC2)c1 ZINC000905612544 712094749 /nfs/dbraw/zinc/09/47/49/712094749.db2.gz FVCMJWYYJDVUNV-UHFFFAOYSA-N 1 0 314.345 1.978 20 5 DDBDRO C[C@H]1[C@H](NC(=O)NCCNc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000913933881 713321861 /nfs/dbraw/zinc/32/18/61/713321861.db2.gz USZZDXSDUPAFSR-NWDGAFQWSA-N 1 0 321.381 1.399 20 5 DDBDRO Cc1nn(C)c(C(=O)NC[C@H](C)[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000920005704 713645725 /nfs/dbraw/zinc/64/57/25/713645725.db2.gz MRJSOHAPGBDTOG-JTQLQIEISA-N 1 0 309.370 1.241 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H]1CCc2nnn(C)c2C1 ZINC000922992449 714206650 /nfs/dbraw/zinc/20/66/50/714206650.db2.gz PRRAKYAROWDGCF-LBPRGKRZSA-N 1 0 315.377 1.987 20 5 DDBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NCC1([NH+](C)C)CC1 ZINC000922993869 714207374 /nfs/dbraw/zinc/20/73/74/714207374.db2.gz NEUNBEFKXNWRGN-UHFFFAOYSA-N 1 0 320.393 1.873 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](C2OCCO2)C1 ZINC000932000208 714229271 /nfs/dbraw/zinc/22/92/71/714229271.db2.gz AMOUFJXVZRMOCT-GFCCVEGCSA-N 1 0 308.334 1.798 20 5 DDBDRO C[C@@H]([NH2+]CC(=O)NC[C@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000932184137 714281251 /nfs/dbraw/zinc/28/12/51/714281251.db2.gz ZNVFEPIDEWGOAV-BXUZGUMPSA-N 1 0 307.350 1.541 20 5 DDBDRO CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923329699 714316746 /nfs/dbraw/zinc/31/67/46/714316746.db2.gz XOJDFIGHORHMEZ-AMFJVREVSA-N 1 0 305.378 1.843 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)CN(C2CC2)[C@@H]2CC[NH2+]C2)c1 ZINC000923330209 714317189 /nfs/dbraw/zinc/31/71/89/714317189.db2.gz ZSULGVGORVRFMF-HUUCEWRRSA-N 1 0 321.377 1.161 20 5 DDBDRO COC(C)(C)[C@H](C)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000932371066 714319233 /nfs/dbraw/zinc/31/92/33/714319233.db2.gz SPJSNRVHWOZBKJ-RYUDHWBXSA-N 1 0 312.366 1.738 20 5 DDBDRO CC(C)[C@H]1CN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000923344614 714321383 /nfs/dbraw/zinc/32/13/83/714321383.db2.gz GAVJGANLLIDLBV-UONOGXRCSA-N 1 0 323.393 1.264 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)CN[C@H]2CC[NH2+]C23CCCC3)c1 ZINC000923428766 714353280 /nfs/dbraw/zinc/35/32/80/714353280.db2.gz QYNFWHRMOKHZJD-GJZGRUSLSA-N 1 0 305.378 1.893 20 5 DDBDRO CC[C@@H]1C(=O)NCCCN1CCOc1ccccc1[N+](=O)[O-] ZINC000933220741 714539758 /nfs/dbraw/zinc/53/97/58/714539758.db2.gz JMFNDMSMCYKMTC-GFCCVEGCSA-N 1 0 307.350 1.574 20 5 DDBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Cn2c(C)ncc2[N+](=O)[O-])[C@H](C)C1 ZINC000933440020 714589695 /nfs/dbraw/zinc/58/96/95/714589695.db2.gz XDMBIQLHULEGAH-DGCLKSJQSA-N 1 0 323.397 1.288 20 5 DDBDRO NC(=O)[C@]12CCC[C@H]1C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C2 ZINC000933762184 714667364 /nfs/dbraw/zinc/66/73/64/714667364.db2.gz RUYBYDUMFSHRLF-NHYWBVRUSA-N 1 0 307.325 1.821 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@H](CCO)C1CCCC1 ZINC000934009955 714721551 /nfs/dbraw/zinc/72/15/51/714721551.db2.gz BYXYWJFEEDQESY-CQSZACIVSA-N 1 0 309.366 1.287 20 5 DDBDRO [NH3+][C@@H]1[C@H]2CN(C(F)(F)c3ccc([N+](=O)[O-])c(Cl)n3)C[C@H]21 ZINC001164440685 718983632 /nfs/dbraw/zinc/98/36/32/718983632.db2.gz QJBFYPVEAHDWJY-KPCSLPGQSA-N 1 0 304.684 1.581 20 5 DDBDRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1ncc(F)cc1[N+](=O)[O-] ZINC001164932540 721853847 /nfs/dbraw/zinc/85/38/47/721853847.db2.gz YWSUYKXQWMYCHI-QWHCGFSZSA-N 1 0 323.372 1.344 20 5 DDBDRO COc1cc(C)c([N+](=O)[O-])cc1-n1c(C)ncc(C[NH3+])c1=N ZINC001167674673 735341103 /nfs/dbraw/zinc/34/11/03/735341103.db2.gz UQTWKUYJHNASEB-UHFFFAOYSA-N 1 0 303.322 1.344 20 5 DDBDRO COc1cnc(-n2ccnc2[C@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001167057172 732366636 /nfs/dbraw/zinc/36/66/36/732366636.db2.gz RXBSYHIFCFCFCQ-JTQLQIEISA-N 1 0 303.322 1.651 20 5 DDBDRO CCc1cccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c1 ZINC001022063428 734368681 /nfs/dbraw/zinc/36/86/81/734368681.db2.gz BKXSLBWOTFKFFI-QKPAOTATSA-N 1 0 317.389 1.651 20 5 DDBDRO CCN(CCNC(=O)C[NH+](CC)CC)c1ccc([N+](=O)[O-])cc1 ZINC001100543145 734492941 /nfs/dbraw/zinc/49/29/41/734492941.db2.gz SCPZOZJEFUQPJA-UHFFFAOYSA-N 1 0 322.409 1.879 20 5 DDBDRO CC(F)(F)C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001019931354 736944151 /nfs/dbraw/zinc/94/41/51/736944151.db2.gz NLIURIIIFBLUEH-XYPYZODXSA-N 1 0 313.304 1.987 20 5 DDBDRO C[NH2+]CCNc1ncccc1NC(=O)c1ccccc1[N+](=O)[O-] ZINC001167721734 737034845 /nfs/dbraw/zinc/03/48/45/737034845.db2.gz OIICYPGNEXKAPL-UHFFFAOYSA-N 1 0 315.333 1.873 20 5 DDBDRO O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1ccc(F)cn1 ZINC001126066922 738223733 /nfs/dbraw/zinc/22/37/33/738223733.db2.gz PRBHQJHDUGGVMT-UHFFFAOYSA-N 1 0 324.337 1.710 20 5 DDBDRO COC(=O)[C@@H](CCC[NH3+])Nc1cc2c(c([N+](=O)[O-])c1)NN(C)C2 ZINC001167901477 739234786 /nfs/dbraw/zinc/23/47/86/739234786.db2.gz MRGJUCVIDZHZSB-LLVKDONJSA-N 1 0 323.353 1.060 20 5 DDBDRO COC(=O)Cc1ccc(NC(=N)SCC[NH3+])cc1[N+](=O)[O-] ZINC001167911646 739307245 /nfs/dbraw/zinc/30/72/45/739307245.db2.gz BYMUUSKUIGZZCO-UHFFFAOYSA-N 1 0 312.351 1.349 20 5 DDBDRO CS(=O)(=O)[C@H]1C[C@@H](Nc2cc3c(cc2[N+](=O)[O-])C[NH2+]C3)C1 ZINC001168254027 741848822 /nfs/dbraw/zinc/84/88/22/741848822.db2.gz QPFORDDAXRQMLH-PHIMTYICSA-N 1 0 311.363 1.186 20 5 DDBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1C[C@H](CO)[C@@H](CCO)C1 ZINC001184364204 744019711 /nfs/dbraw/zinc/01/97/11/744019711.db2.gz OOJSGTIPHGIZPV-NVSXCDJOSA-N 1 0 320.389 1.921 20 5 DDBDRO CN(CCC[N@H+](C)Cc1ccco1)c1nn(C)cc1[N+](=O)[O-] ZINC001186380806 744394615 /nfs/dbraw/zinc/39/46/15/744394615.db2.gz NJFSGRSPUBOINO-UHFFFAOYSA-N 1 0 307.354 1.880 20 5 DDBDRO COc1cccc(NCCCN2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC001161708634 745601384 /nfs/dbraw/zinc/60/13/84/745601384.db2.gz PBAVJKYRDHGLRD-UHFFFAOYSA-N 1 0 308.382 1.653 20 5 DDBDRO CC(C)([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCCCO1 ZINC001197114414 747070668 /nfs/dbraw/zinc/07/06/68/747070668.db2.gz GWSCPHFMFPKJOA-CHWSQXEVSA-N 1 0 312.370 1.090 20 5 DDBDRO Cc1cc(C(=O)N2CCC[C@@H]([NH+](C)C)C2)c(N)c([N+](=O)[O-])c1 ZINC000106363694 748676434 /nfs/dbraw/zinc/67/64/34/748676434.db2.gz UBJDOSZTDQFMRH-LLVKDONJSA-N 1 0 306.366 1.652 20 5 DDBDRO COc1c(F)cc(-n2cc3c(n2)CC[C@H]([NH3+])C3)cc1[N+](=O)[O-] ZINC001168822597 762054389 /nfs/dbraw/zinc/05/43/89/762054389.db2.gz XEDWFQGZVYURKB-VIFPVBQESA-N 1 0 306.297 1.744 20 5 DDBDRO O=C(NCC1=CC[N@H+](CC2=CCCCC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001000673700 762077276 /nfs/dbraw/zinc/07/72/76/762077276.db2.gz JKUPDYGEVDRIMS-HZPDHXFCSA-N 1 0 319.405 1.900 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2ccnc(OCC3CC3)n2)C1 ZINC001168998100 762170016 /nfs/dbraw/zinc/17/00/16/762170016.db2.gz IFLZVWHBWLISMT-OLZOCXBDSA-N 1 0 306.366 1.800 20 5 DDBDRO Cc1cc(N2CCC([NH2+][C@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)ncn1 ZINC001168999426 762172066 /nfs/dbraw/zinc/17/20/66/762172066.db2.gz SXUOIAJZQJCMCQ-ZFWWWQNUSA-N 1 0 319.409 1.789 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2cncn2C2CCOCC2)C1 ZINC001169002302 762172737 /nfs/dbraw/zinc/17/27/37/762172737.db2.gz KJHCYSFANBOIDA-OLZOCXBDSA-N 1 0 308.382 1.770 20 5 DDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CCN(Cc3cccnc3)CC2)C1 ZINC001169009699 762177777 /nfs/dbraw/zinc/17/77/77/762177777.db2.gz XHNXMEIAZKBSRF-GOEBONIOSA-N 1 0 304.394 1.645 20 5 DDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CCN(CCc3ccncc3)CC2)C1 ZINC001169030245 762186284 /nfs/dbraw/zinc/18/62/84/762186284.db2.gz XHQLMKDKPBVSFI-IRXDYDNUSA-N 1 0 318.421 1.687 20 5 DDBDRO COc1cccnc1N1CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169040193 762194605 /nfs/dbraw/zinc/19/46/05/762194605.db2.gz YPIAALPEGWSNQR-ZIAGYGMSSA-N 1 0 320.393 1.658 20 5 DDBDRO COc1cnc(O[C@@H]2CC[N@@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C2)nc1 ZINC001169054639 762209707 /nfs/dbraw/zinc/20/97/07/762209707.db2.gz NBNGEQKJJFLVTF-YNEHKIRRSA-N 1 0 322.365 1.384 20 5 DDBDRO CCOC(=O)C1(Nc2cccnc2[N+](=O)[O-])CC[NH+](C)CC1 ZINC001169491675 762479828 /nfs/dbraw/zinc/47/98/28/762479828.db2.gz MGCKFNMGTXSESC-UHFFFAOYSA-N 1 0 308.338 1.429 20 5 DDBDRO CCOC(=O)COc1ncc(-n2ccc(C[NH3+])c2)cc1[N+](=O)[O-] ZINC001169726349 762609143 /nfs/dbraw/zinc/60/91/43/762609143.db2.gz UCQSAUBXUWQGRU-UHFFFAOYSA-N 1 0 320.305 1.181 20 5 DDBDRO [NH3+]CCc1cn(-c2c(F)c([N+](=O)[O-])cc[n+]2[O-])c2cccnc12 ZINC001169702908 762610606 /nfs/dbraw/zinc/61/06/06/762610606.db2.gz LPOSHAZGCXGGHF-UHFFFAOYSA-N 1 0 317.280 1.207 20 5 DDBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccccc2F)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001020139013 760612827 /nfs/dbraw/zinc/61/28/27/760612827.db2.gz MJSXMQJWAVVYHF-HKUMRIAESA-N 1 0 307.325 1.228 20 5 DDBDRO O=C(CCC(F)F)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001131394063 768111340 /nfs/dbraw/zinc/11/13/40/768111340.db2.gz GIBNEULOPRCTHD-UHFFFAOYSA-N 1 0 301.293 1.846 20 5 DDBDRO CN(CCCNc1ccc([N+](=O)[O-])cn1)C(=O)CCC[NH+](C)C ZINC001109597971 763855985 /nfs/dbraw/zinc/85/59/85/763855985.db2.gz DEPPJQVVOMCOIK-UHFFFAOYSA-N 1 0 323.397 1.592 20 5 DDBDRO Cc1ncoc1C[NH+]1CCC(C)(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001045437094 766306476 /nfs/dbraw/zinc/30/64/76/766306476.db2.gz CZSGDERAWJCTIP-VXGBXAGGSA-N 1 0 322.365 1.119 20 5 DDBDRO CN(CCNC(=O)C1(C[NH+](C)C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC001100287858 775943002 /nfs/dbraw/zinc/94/30/02/775943002.db2.gz GXWAFXKZWDUSES-UHFFFAOYSA-N 1 0 320.393 1.489 20 5 DDBDRO Cc1nc(NCCCNC(=O)CC[NH+](C)C)ccc1[N+](=O)[O-] ZINC001094752441 776249010 /nfs/dbraw/zinc/24/90/10/776249010.db2.gz UZUJMSPYHCMADB-UHFFFAOYSA-N 1 0 309.370 1.168 20 5 DDBDRO CNc1c(C(=O)NC[C@@H]2C[NH+]3CCC2CC3)cccc1[N+](=O)[O-] ZINC001179899887 779524282 /nfs/dbraw/zinc/52/42/82/779524282.db2.gz NFGXIZWVYDLKIW-GFCCVEGCSA-N 1 0 318.377 1.708 20 5 DDBDRO CC(C)(C)[NH+]1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC001115877187 780459307 /nfs/dbraw/zinc/45/93/07/780459307.db2.gz BZHCSPKTUBJGER-UHFFFAOYSA-N 1 0 321.377 1.916 20 5 DDBDRO COC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC001116836105 780565120 /nfs/dbraw/zinc/56/51/20/780565120.db2.gz ZXIJHMAIQXQPAH-NWDGAFQWSA-N 1 0 321.333 1.125 20 5 DDBDRO COC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001117341060 780727493 /nfs/dbraw/zinc/72/74/93/780727493.db2.gz SMFVNOUKEFSWQF-RYUDHWBXSA-N 1 0 323.305 1.934 20 5 DDBDRO Cn1c(C(=O)N[C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)ccc1[N+](=O)[O-] ZINC001119363620 781420872 /nfs/dbraw/zinc/42/08/72/781420872.db2.gz QTIOBBRUIINADF-JIMOISOXSA-N 1 0 306.366 1.440 20 5 DDBDRO CC[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1ccc(C)cc1C ZINC001267240882 837587093 /nfs/dbraw/zinc/58/70/93/837587093.db2.gz BKXTWDDBPSLULB-HZPDHXFCSA-N 1 0 319.405 1.907 20 5 DDBDRO C[N@H+](CCNC(=O)c1cc(F)c[nH]1)Cc1ccc([N+](=O)[O-])cc1 ZINC001266298721 836076421 /nfs/dbraw/zinc/07/64/21/836076421.db2.gz NOKDJSOEJSBIFA-UHFFFAOYSA-N 1 0 320.324 1.924 20 5 DDBDRO CN(CC[NH2+]Cc1cc2ccccc2o1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001266696340 836683883 /nfs/dbraw/zinc/68/38/83/836683883.db2.gz FPFYFGKJDHBECE-ZIAGYGMSSA-N 1 0 317.345 1.646 20 5 DDBDRO CCOCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC001266898497 837023874 /nfs/dbraw/zinc/02/38/74/837023874.db2.gz MYVOXTQGTMOSAZ-FOLVSLTJSA-N 1 0 319.361 1.178 20 5 DDBDRO Cc1cc(C(=O)N2CC[C@H](CC[NH+](C)C)C2)c(N)c([N+](=O)[O-])c1 ZINC001154643149 861314993 /nfs/dbraw/zinc/31/49/93/861314993.db2.gz JMJGKHKJQQCPTP-LBPRGKRZSA-N 1 0 320.393 1.899 20 5 DDBDRO O=C(COCC1CC1)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001154981375 861618450 /nfs/dbraw/zinc/61/84/50/861618450.db2.gz IRAMRQLEJRBABI-UHFFFAOYSA-N 1 0 321.377 1.617 20 5 DDBDRO COC(=O)c1ccnc(NC[C@H]2CCC[NH2+]C[C@@H]2C)c1[N+](=O)[O-] ZINC001155026825 861659659 /nfs/dbraw/zinc/65/96/59/861659659.db2.gz VUYOPCBWPZNKKN-WDEREUQCSA-N 1 0 322.365 1.824 20 5 DDBDRO COC(=O)[C@@H](Nc1nc(Cl)c(C)cc1[N+](=O)[O-])C(C)(C)[NH3+] ZINC001155369464 862001890 /nfs/dbraw/zinc/00/18/90/862001890.db2.gz WJXXLTQBWWLUGV-MRVPVSSYSA-N 1 0 316.745 1.642 20 5 DDBDRO O=[N+]([O-])c1cnc(NCC[C@@H]2CCOC23C[NH2+]C3)c(Cl)c1 ZINC001155470385 862123375 /nfs/dbraw/zinc/12/33/75/862123375.db2.gz LFFVAPHWIABSES-SECBINFHSA-N 1 0 312.757 1.824 20 5 DDBDRO O=[N+]([O-])c1cnc(N[C@@H]2CCO[C@]3(CC[NH2+]C3)C2)c(Cl)c1 ZINC001155619102 862297776 /nfs/dbraw/zinc/29/77/76/862297776.db2.gz NRWDTCOSEGSZBF-NOZJJQNGSA-N 1 0 312.757 1.966 20 5 DDBDRO Cc1nn(C)c(NCC(C)(C)N2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC001328389912 862945205 /nfs/dbraw/zinc/94/52/05/862945205.db2.gz NWVMCFITVJOILH-UHFFFAOYSA-N 1 0 310.402 1.075 20 5 DDBDRO COc1ccc(CNC(=O)C[C@@H]2C[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC001121850443 858612765 /nfs/dbraw/zinc/61/27/65/858612765.db2.gz AVHXTKUDJLZOAQ-ZYHUDNBSSA-N 1 0 307.350 1.465 20 5 DDBDRO C[NH2+]C[C@@H]1CCCCN1C(=O)CCn1cc([N+](=O)[O-])nc1C ZINC001122240316 858723062 /nfs/dbraw/zinc/72/30/62/858723062.db2.gz PRTPKJYNMOTUOF-LBPRGKRZSA-N 1 0 309.370 1.090 20 5 DDBDRO Cc1c(CC(=O)N[C@@H]2C[C@@H]([NH3+])C23CCC3)cccc1[N+](=O)[O-] ZINC001122342509 858765690 /nfs/dbraw/zinc/76/56/90/858765690.db2.gz XPOFHQJLSNFGSS-ZIAGYGMSSA-N 1 0 303.362 1.832 20 5 DDBDRO C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H]1C[N@H+](C)CCN1C ZINC001123318756 859173106 /nfs/dbraw/zinc/17/31/06/859173106.db2.gz SGLIXIFVRFAHAZ-FZMZJTMJSA-N 1 0 321.381 1.351 20 5 DDBDRO C[N@@H+]1CCC[C@H]1CO[C@H]1CCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC001224828359 881549736 /nfs/dbraw/zinc/54/97/36/881549736.db2.gz CRRDUYBXVDAKHN-KBPBESRZSA-N 1 0 306.366 1.679 20 5 DDBDRO CSCCC(=O)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001154438273 861106602 /nfs/dbraw/zinc/10/66/02/861106602.db2.gz QZWAOVGAWMUBIV-UHFFFAOYSA-N 1 0 311.407 1.944 20 5 DDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC001326113066 861109248 /nfs/dbraw/zinc/10/92/48/861109248.db2.gz QULUZCSKZZYPRX-ZDUSSCGKSA-N 1 0 304.350 1.508 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cccc(Br)c1 ZINC001225224823 881730624 /nfs/dbraw/zinc/73/06/24/881730624.db2.gz GMMPCKGPTHILKB-LLVKDONJSA-N 1 0 317.203 1.812 20 5 DDBDRO C[C@H]([NH3+])c1ccn(-c2cc(/C=C/N(C)C)c([N+](=O)[O-])cn2)n1 ZINC001158351063 864596892 /nfs/dbraw/zinc/59/68/92/864596892.db2.gz SNPZHBNDICTOCG-RWCYGVJQSA-N 1 0 302.338 1.728 20 5 DDBDRO O=C(NC1CCN(c2cc[nH+]cc2)CC1)c1cc([N+](=O)[O-])n[nH]1 ZINC001159426373 865284839 /nfs/dbraw/zinc/28/48/39/865284839.db2.gz MDTUKUSWJKRDEH-UHFFFAOYSA-N 1 0 316.321 1.112 20 5 DDBDRO C[C@@](O)(C[C@@H](O)CN1Cc2ccc([N+](=O)[O-])cc2C1)C1CC1 ZINC001331756876 865299276 /nfs/dbraw/zinc/29/92/76/865299276.db2.gz CEEXVAWXQWBVPF-HZPDHXFCSA-N 1 0 306.362 1.822 20 5 DDBDRO C[C@@H](Nc1ncnc2cccc([N+](=O)[O-])c21)[C@@H]1C[NH2+]CCO1 ZINC001159502433 865361694 /nfs/dbraw/zinc/36/16/94/865361694.db2.gz MXEPXAAQTURTNR-SKDRFNHKSA-N 1 0 303.322 1.327 20 5 DDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@@H]3CCn4ccnc4C3)C2)c1 ZINC001333372352 866680669 /nfs/dbraw/zinc/68/06/69/866680669.db2.gz VMXFUSOOOGKYGA-VOMCLLRMSA-N 1 0 302.338 1.296 20 5 DDBDRO CC[NH+](CC)C1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC001320603035 866877711 /nfs/dbraw/zinc/87/77/11/866877711.db2.gz ZPKNZTHCVCIHIK-UHFFFAOYSA-N 1 0 318.381 1.948 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1c(F)c(F)cc(F)c1F ZINC001225882328 882085941 /nfs/dbraw/zinc/08/59/41/882085941.db2.gz RIKMCMYRELHBDN-SSDOTTSWSA-N 1 0 310.267 1.606 20 5 DDBDRO COc1ncc([N+](=O)[O-])c(NCc2ccc3c(c2)CC[NH2+]C3)n1 ZINC001162802603 867836138 /nfs/dbraw/zinc/83/61/38/867836138.db2.gz LPYCIZQNEKMONZ-UHFFFAOYSA-N 1 0 315.333 1.651 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1c(F)c(F)ccc1[N+](=O)[O-] ZINC001225959487 882130894 /nfs/dbraw/zinc/13/08/94/882130894.db2.gz LYSMXZPTLJQKRB-MRVPVSSYSA-N 1 0 319.284 1.236 20 5 DDBDRO O=[N+]([O-])c1c(F)cccc1N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC001335116693 868075352 /nfs/dbraw/zinc/07/53/52/868075352.db2.gz JMWMXWUYEKKRKK-OLZOCXBDSA-N 1 0 309.341 1.769 20 5 DDBDRO O=[N+]([O-])c1c[nH]c2nc(NC[C@@H]3CO[C@@H]4C[NH2+]C[C@H]34)ccc12 ZINC001163094465 868086412 /nfs/dbraw/zinc/08/64/12/868086412.db2.gz MXOAADKMJAITEG-HLUHBDAQSA-N 1 0 303.322 1.117 20 5 DDBDRO CN(CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cocn1 ZINC001322440229 868170130 /nfs/dbraw/zinc/17/01/30/868170130.db2.gz LPYYOSDHRCAOSD-UHFFFAOYSA-N 1 0 318.333 1.835 20 5 DDBDRO COc1ccc(N[C@H]2CCO[C@@]3(CC[NH2+]C3)C2)nc1[N+](=O)[O-] ZINC001163305024 868328220 /nfs/dbraw/zinc/32/82/20/868328220.db2.gz KTKKJZPDAJBUNJ-HZMBPMFUSA-N 1 0 308.338 1.321 20 5 DDBDRO Cc1nnc(C[NH3+])n1C(F)(F)c1cc([N+](=O)[O-])cnc1Cl ZINC001163346211 868381234 /nfs/dbraw/zinc/38/12/34/868381234.db2.gz KQJIDYNPNJSHPG-UHFFFAOYSA-N 1 0 318.671 1.599 20 5 DDBDRO COc1c(C(=O)N[C@@H]2C[NH+]3CCC2CC3)cccc1[N+](=O)[O-] ZINC001336077780 868717592 /nfs/dbraw/zinc/71/75/92/868717592.db2.gz AXKPEGDWHJVRJB-GFCCVEGCSA-N 1 0 305.334 1.427 20 5 DDBDRO COC1(C)CCN(c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)CC1 ZINC001163949308 868817424 /nfs/dbraw/zinc/81/74/24/868817424.db2.gz TYEYFRFZWPOBGC-UHFFFAOYSA-N 1 0 307.354 1.077 20 5 DDBDRO COC(=O)c1cnc(N2CCC[C@](C)(C[NH3+])CC2)c([N+](=O)[O-])c1 ZINC001164241309 869049005 /nfs/dbraw/zinc/04/90/05/869049005.db2.gz BZBUBRFLMFYBJI-HNNXBMFYSA-N 1 0 322.365 1.732 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cc([N+](=O)[O-])c(F)cc1F ZINC001226191475 882263719 /nfs/dbraw/zinc/26/37/19/882263719.db2.gz NKALPNLGJGWLGS-MRVPVSSYSA-N 1 0 319.284 1.236 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1CC12CCOCC2 ZINC001336822266 869164849 /nfs/dbraw/zinc/16/48/49/869164849.db2.gz XOXRUKZVIIDVON-IUODEOHRSA-N 1 0 322.361 1.493 20 5 DDBDRO O=[N+]([O-])c1ccc2nccc(N3C[C@H](CO)[C@H](CCO)C3)c2c1 ZINC001336870503 869192310 /nfs/dbraw/zinc/19/23/10/869192310.db2.gz VJABJNMPJXLLOD-VXGBXAGGSA-N 1 0 317.345 1.570 20 5 DDBDRO C[C@@H]1C[NH2+]C[C@H]1NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001336922079 869220754 /nfs/dbraw/zinc/22/07/54/869220754.db2.gz ATYCTIJEKQOTQZ-IAQYHMDHSA-N 1 0 318.377 1.877 20 5 DDBDRO CN(C)/C=C/c1cc(N2CC[C@@H]3[NH2+]CC[C@H]32)ncc1[N+](=O)[O-] ZINC001165298656 869505548 /nfs/dbraw/zinc/50/55/48/869505548.db2.gz VMQOROQTPYVVOY-KVOPJGFESA-N 1 0 303.366 1.463 20 5 DDBDRO O=[N+]([O-])c1ccccc1-c1ccc(N2CC[C@@H]3[NH2+]CC[C@H]32)nn1 ZINC001165298677 869506041 /nfs/dbraw/zinc/50/60/41/869506041.db2.gz WOMDYIJLRKNBGN-DZGCQCFKSA-N 1 0 311.345 1.992 20 5 DDBDRO Cc1nc2c(n1-c1cc([N+](=O)[O-])c3cc[nH]c3n1)CC[NH2+]CC2 ZINC001165354515 869542143 /nfs/dbraw/zinc/54/21/43/869542143.db2.gz CDYOJKYFACNPIM-UHFFFAOYSA-N 1 0 312.333 1.653 20 5 DDBDRO COCCC(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001337580346 869548616 /nfs/dbraw/zinc/54/86/16/869548616.db2.gz OKDUUGHBRXRGAI-UHFFFAOYSA-N 1 0 322.365 1.322 20 5 DDBDRO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3c(F)cccc3[N+](=O)[O-])[C@@H]2C1 ZINC001338463878 869993238 /nfs/dbraw/zinc/99/32/38/869993238.db2.gz NPNWPZZTTRJZBA-HOSYDEDBSA-N 1 0 307.325 1.804 20 5 DDBDRO [NH3+][C@H]1CCN(c2ncc([N+](=O)[O-])cc2[N+](=O)[O-])CC1(F)F ZINC001166962820 870427559 /nfs/dbraw/zinc/42/75/59/870427559.db2.gz YMGFEVCTGPREJE-QMMMGPOBSA-N 1 0 303.225 1.071 20 5 DDBDRO CC(C)[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC001305225368 871267799 /nfs/dbraw/zinc/26/77/99/871267799.db2.gz OFESGJMIPQEYKB-DGCLKSJQSA-N 1 0 321.381 1.653 20 5 DDBDRO C[N@H+](CCCNC(=O)c1cnon1)Cc1ccccc1[N+](=O)[O-] ZINC001316856037 871356285 /nfs/dbraw/zinc/35/62/85/871356285.db2.gz YTUPVGANODEGRE-UHFFFAOYSA-N 1 0 319.321 1.230 20 5 DDBDRO C[C@@H]([NH3+])CONC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC001341238484 871570992 /nfs/dbraw/zinc/57/09/92/871570992.db2.gz IMQGVHVWXLZGOY-ZCFIWIBFSA-N 1 0 318.127 1.366 20 5 DDBDRO COc1ccc(CC(=O)N[C@@H]2C[NH2+]CC23CC3)cc1[N+](=O)[O-] ZINC001342101409 872004854 /nfs/dbraw/zinc/00/48/54/872004854.db2.gz YXXGISCKMNHHAZ-CYBMUJFWSA-N 1 0 305.334 1.014 20 5 DDBDRO C[NH2+]CCN(C(=O)CCOc1ccccc1[N+](=O)[O-])C(C)C ZINC001342612731 872295461 /nfs/dbraw/zinc/29/54/61/872295461.db2.gz HVJSFGHAGLQXJF-UHFFFAOYSA-N 1 0 309.366 1.820 20 5 DDBDRO Cc1c(CC(=O)NC[C@H]2CCC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC001343629716 872692605 /nfs/dbraw/zinc/69/26/05/872692605.db2.gz XXZHXQNLEAFBFU-ZDUSSCGKSA-N 1 0 305.378 1.952 20 5 DDBDRO CC(C)Cn1c(C[N+](=O)[O-])nnc1N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC001343630182 872693624 /nfs/dbraw/zinc/69/36/24/872693624.db2.gz ILMRVLKOMZTDBB-CYBMUJFWSA-N 1 0 324.429 1.487 20 5 DDBDRO O=C(C[NH2+]C[C@H]1CCCO1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001345597262 873450397 /nfs/dbraw/zinc/45/03/97/873450397.db2.gz LFTOJJLIOUFMCU-CQSZACIVSA-N 1 0 305.334 1.206 20 5 DDBDRO CC[N@@H+]1CC[C@H]1CNC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC001349920773 875457442 /nfs/dbraw/zinc/45/74/42/875457442.db2.gz KODXTBOHCLHUTD-JTQLQIEISA-N 1 0 308.338 1.819 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1nc2c(cccc2F)s1 ZINC001227352177 882982485 /nfs/dbraw/zinc/98/24/85/882982485.db2.gz DRUXSDXSOBCAMP-SECBINFHSA-N 1 0 313.374 1.798 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1nc2ccc(F)cc2s1 ZINC001227393712 882995699 /nfs/dbraw/zinc/99/56/99/882995699.db2.gz VKBRXTZHXMGWGC-SNVBAGLBSA-N 1 0 313.374 1.798 20 5 DDBDRO O=C(CC[NH2+][C@H]1COC[C@H]1C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC001353375815 877285447 /nfs/dbraw/zinc/28/54/47/877285447.db2.gz HUXOAUBULSHEOV-JSGCOSHPSA-N 1 0 319.361 1.938 20 5 DDBDRO O=[N+]([O-])c1ncc(Br)cc1O[C@@H]1CCC[NH2+]C1 ZINC001218283776 877445012 /nfs/dbraw/zinc/44/50/12/877445012.db2.gz NJACQOIXMPLEBS-MRVPVSSYSA-N 1 0 302.128 1.883 20 5 DDBDRO C[C@@]1(NC(=O)c2ccc([N+](=O)[O-])cc2N)C[NH+]2CCC1CC2 ZINC001300609006 877972929 /nfs/dbraw/zinc/97/29/29/877972929.db2.gz DATUVGCAMNLADV-OAHLLOKOSA-N 1 0 304.350 1.391 20 5 DDBDRO COC[C@@]1(C(=O)NC[C@@H](C)c2ccccc2[N+](=O)[O-])CC[NH2+]C1 ZINC001355315467 878496514 /nfs/dbraw/zinc/49/65/14/878496514.db2.gz GJMQPNBQCIOIJC-MLGOLLRUSA-N 1 0 321.377 1.441 20 5 DDBDRO O=C(COc1ccccc1[N+](=O)[O-])N[C@]12CCC[C@H]1C[NH2+]C2 ZINC001355728500 878694547 /nfs/dbraw/zinc/69/45/47/878694547.db2.gz BLWKKPUHCAWDIH-NHYWBVRUSA-N 1 0 305.334 1.232 20 5 DDBDRO CC(C)(C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)n1cccn1 ZINC001357260634 879879461 /nfs/dbraw/zinc/87/94/61/879879461.db2.gz QPKIAWPJJHQRNI-AWEZNQCLSA-N 1 0 304.350 1.850 20 5 DDBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001358277778 880388478 /nfs/dbraw/zinc/38/84/78/880388478.db2.gz WDVODEGKEGLVMP-WDEREUQCSA-N 1 0 321.402 1.998 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cc2c[nH]nc2cc1Cl ZINC001227784126 883170651 /nfs/dbraw/zinc/17/06/51/883170651.db2.gz XZNQSMZXCRKOAG-SNVBAGLBSA-N 1 0 312.777 1.579 20 5 DDBDRO Cc1ccc2ncc(OC(=O)C[C@@H](O)C[N+](C)(C)C)cc2c1 ZINC001230524642 884540076 /nfs/dbraw/zinc/54/00/76/884540076.db2.gz RZJIOTPFNSHKPK-CQSZACIVSA-N 1 0 303.382 1.906 20 5 DDBDRO [NH3+][C@@H]1CN([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC[C@H]1O ZINC001246570257 892703969 /nfs/dbraw/zinc/70/39/69/892703969.db2.gz FODGUVSEYDJIPZ-NUEKZKHPSA-N 1 0 305.378 1.236 20 5 DDBDRO COc1ccc(C[C@H](C)N2CC[C@@H]3[NH2+]CC[C@H]32)c([N+](=O)[O-])c1 ZINC001246633601 892755522 /nfs/dbraw/zinc/75/55/22/892755522.db2.gz LITTZHVDVQHUPI-TUKIKUTGSA-N 1 0 305.378 1.971 20 5 DDBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@]2(F)CCC[NH2+]C2)n1 ZINC001247880724 893457592 /nfs/dbraw/zinc/45/75/92/893457592.db2.gz VYYHGBUDYDLYGR-LBPRGKRZSA-N 1 0 311.248 1.727 20 5 DDBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc(C[C@@H]2CCC[NH2+]C2)n1 ZINC001248218460 893573492 /nfs/dbraw/zinc/57/34/92/893573492.db2.gz UCPUTNXSNKYMCT-QMMMGPOBSA-N 1 0 307.285 1.721 20 5 DDBDRO O=C(CCOc1ccccc1[N+](=O)[O-])NCC[NH+]1CC=CC1 ZINC001252482138 895199888 /nfs/dbraw/zinc/19/98/88/895199888.db2.gz LFAQVXISJPADBO-UHFFFAOYSA-N 1 0 305.334 1.352 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CC3OCCO3)CC2)cc1 ZINC001254469194 896454115 /nfs/dbraw/zinc/45/41/15/896454115.db2.gz YDKQONNANBNAKA-UHFFFAOYSA-N 1 0 307.350 1.526 20 5 DDBDRO COC(C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)OC ZINC001254466558 896454456 /nfs/dbraw/zinc/45/44/56/896454456.db2.gz CEFOYBGHLJNDNR-UHFFFAOYSA-N 1 0 309.366 1.772 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CN(c2cnccn2)C1 ZINC001254542066 896496672 /nfs/dbraw/zinc/49/66/72/896496672.db2.gz LHBUOKKQHNYHFV-GFCCVEGCSA-N 1 0 313.361 1.794 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CCN(C2COC2)CC1 ZINC001254540915 896496947 /nfs/dbraw/zinc/49/69/47/896496947.db2.gz WOFUFVCTBWDQFW-CYBMUJFWSA-N 1 0 319.405 1.979 20 5 DDBDRO CNC(=O)[C@@H]([NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)C(C)(C)C ZINC001254582708 896516456 /nfs/dbraw/zinc/51/64/56/896516456.db2.gz VQRMGKRPLYODNE-GXTWGEPZSA-N 1 0 305.378 1.812 20 5 DDBDRO COCc1nn([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)c2c1C[NH2+]C2 ZINC001254597485 896524071 /nfs/dbraw/zinc/52/40/71/896524071.db2.gz SNTMLDBCJNOZOR-CYBMUJFWSA-N 1 0 314.345 1.881 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH+]1CCC(n3cnnc3)CC1)C2 ZINC001254604034 896526384 /nfs/dbraw/zinc/52/63/84/896526384.db2.gz SVAXHYUPQYBQKA-MRXNPFEDSA-N 1 0 313.361 1.991 20 5 DDBDRO COc1cc(N2CCC([NH2+]C3(C)COC3)CC2)ccc1[N+](=O)[O-] ZINC001256085418 897278666 /nfs/dbraw/zinc/27/86/66/897278666.db2.gz OKZUDLKRPQPJNE-UHFFFAOYSA-N 1 0 321.377 1.951 20 5 DDBDRO Cc1nc(N2CCN(c3cc[nH+]cc3)C[C@H]2C)ncc1[N+](=O)[O-] ZINC001262071311 899931303 /nfs/dbraw/zinc/93/13/03/899931303.db2.gz WUROHRVCYBWRCD-LLVKDONJSA-N 1 0 314.349 1.803 20 5 DDBDRO C[NH2+][C@H](C)CCNC(=O)NC[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001262584842 900261616 /nfs/dbraw/zinc/26/16/16/900261616.db2.gz MOGNXYNRNTZHFU-NWDGAFQWSA-N 1 0 308.382 1.996 20 5 DDBDRO O=C([C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC001263108544 900502636 /nfs/dbraw/zinc/50/26/36/900502636.db2.gz APWRISDKAWYQRN-DTZQCDIJSA-N 1 0 315.373 1.909 20 5 DDBDRO CC(C)=CC(=O)NC[C@H]1C[C@H]([NH2+]Cc2c([N+](=O)[O-])ncn2C)C1 ZINC001316627413 907416877 /nfs/dbraw/zinc/41/68/77/907416877.db2.gz WUXWGUXCKPMHJH-HAQNSBGRSA-N 1 0 321.381 1.279 20 5 DDBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)CS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000081902069 192337040 /nfs/dbraw/zinc/33/70/40/192337040.db2.gz KNUZDDZCJKMIJF-MNOVXSKESA-N 1 0 300.380 1.987 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H](C)[C@H]1CO ZINC000248900362 282116552 /nfs/dbraw/zinc/11/65/52/282116552.db2.gz HFPRSXBPTVQTSU-IUODEOHRSA-N 1 0 321.377 1.935 20 5 DDBDRO C[C@@H](CO)[C@@H](C)[NH2+]CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000450739309 230785307 /nfs/dbraw/zinc/78/53/07/230785307.db2.gz QCAWYICBSMSIDI-WDEREUQCSA-N 1 0 323.349 1.499 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H]1COCC1(C)C ZINC000451805031 231198777 /nfs/dbraw/zinc/19/87/77/231198777.db2.gz AMDGBOYZIMWPDR-ZDUSSCGKSA-N 1 0 307.350 1.856 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000452348653 231355875 /nfs/dbraw/zinc/35/58/75/231355875.db2.gz LIZUDGYTNRJYCZ-AWEZNQCLSA-N 1 0 321.377 1.480 20 5 DDBDRO CC[C@@]1(CO)CCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000251499129 282201455 /nfs/dbraw/zinc/20/14/55/282201455.db2.gz BLJGYCRDLPDMAZ-CJNGLKHVSA-N 1 0 324.377 1.571 20 5 DDBDRO C[N@@H+]1CC[C@H](CNC(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000491745123 529803287 /nfs/dbraw/zinc/80/32/87/529803287.db2.gz NTIKCVAUNSIPHG-JOAKQRRISA-N 1 0 307.325 1.815 20 5 DDBDRO CN(CC(C)(C)C[NH3+])C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000417941255 529845093 /nfs/dbraw/zinc/84/50/93/529845093.db2.gz MTULLYDCLMEQLF-UHFFFAOYSA-N 1 0 308.382 1.764 20 5 DDBDRO C[NH2+]C[C@H](C)CNC(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000417201580 529996884 /nfs/dbraw/zinc/99/68/84/529996884.db2.gz WQZBVYUNNOOKFX-JTQLQIEISA-N 1 0 310.354 1.258 20 5 DDBDRO C[NH2+]C[C@H]1CCN(CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000430918887 530005310 /nfs/dbraw/zinc/00/53/10/530005310.db2.gz OKJFGRKBIFXUHA-GFCCVEGCSA-N 1 0 309.366 1.524 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NCCCC[N@@H+](C)C1CC1 ZINC000457212802 232015026 /nfs/dbraw/zinc/01/50/26/232015026.db2.gz XZGITOILEUTDNS-UHFFFAOYSA-N 1 0 306.366 1.902 20 5 DDBDRO C[N@@H+]1CCC[C@H]1CNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000294909803 530063075 /nfs/dbraw/zinc/06/30/75/530063075.db2.gz ISZNDJHFPILPBG-AWEZNQCLSA-N 1 0 319.361 1.768 20 5 DDBDRO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CC[NH+](C2CCCCC2)CC1 ZINC000286872865 219203347 /nfs/dbraw/zinc/20/33/47/219203347.db2.gz ZBPXHPCCQVWDQA-UHFFFAOYSA-N 1 0 307.354 1.408 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cccc([N+](=O)[O-])c3N)[C@H]2C1 ZINC000272616696 210015702 /nfs/dbraw/zinc/01/57/02/210015702.db2.gz LHZIWVGJOXKKOY-MFKMUULPSA-N 1 0 304.350 1.343 20 5 DDBDRO C[C@H](CCCC[NH3+])NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000292005346 222773435 /nfs/dbraw/zinc/77/34/35/222773435.db2.gz CPVLXPNMTNPTJG-SNVBAGLBSA-N 1 0 323.349 1.613 20 5 DDBDRO C[NH2+]C[C@@H]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C)C1 ZINC000071144319 190937014 /nfs/dbraw/zinc/93/70/14/190937014.db2.gz TVVCJMSYMGFKAX-NSHDSACASA-N 1 0 313.379 1.133 20 5 DDBDRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)c2[nH]ncc2[N+](=O)[O-])C1 ZINC000138208871 186015322 /nfs/dbraw/zinc/01/53/22/186015322.db2.gz KZAPWKHISZXBMY-QWRGUYRKSA-N 1 0 323.397 1.804 20 5 DDBDRO COc1ccc(CC(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000564838123 304018011 /nfs/dbraw/zinc/01/80/11/304018011.db2.gz GLINOOQYLYAOKA-PWSUYJOCSA-N 1 0 307.350 1.342 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@@H]2CCCC(F)(F)C2)c1 ZINC000564868881 304021259 /nfs/dbraw/zinc/02/12/59/304021259.db2.gz JZLGUVKXDMDDIK-PWSUYJOCSA-N 1 0 318.324 1.567 20 5 DDBDRO C[C@H](C[NH+](C)C)NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000358518316 299182086 /nfs/dbraw/zinc/18/20/86/299182086.db2.gz JTKSQMYHHSLIOP-LLVKDONJSA-N 1 0 306.366 1.613 20 5 DDBDRO CC1(C)CC[C@@H](C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)O1 ZINC000564874359 304022331 /nfs/dbraw/zinc/02/23/31/304022331.db2.gz YTIYCHPTVUZRES-HIFRSBDPSA-N 1 0 324.377 1.882 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H](C)C[NH+](C)C ZINC000490047754 233990037 /nfs/dbraw/zinc/99/00/37/233990037.db2.gz KFYNKHPPNHZJHE-SNVBAGLBSA-N 1 0 315.395 1.379 20 5 DDBDRO C[C@H]1C[NH+](CCCNC(=O)c2cc([N+](=O)[O-])c[nH]2)C[C@H](C)O1 ZINC000042811742 352352856 /nfs/dbraw/zinc/35/28/56/352352856.db2.gz FDKCRWQXRKBTMK-QWRGUYRKSA-N 1 0 310.354 1.152 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000331719397 234042489 /nfs/dbraw/zinc/04/24/89/234042489.db2.gz QXIRWGVNCCZTAQ-CABCVRRESA-N 1 0 319.361 1.717 20 5 DDBDRO CC(C)C[N@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000065962278 352972857 /nfs/dbraw/zinc/97/28/57/352972857.db2.gz DFGWXAWSBTTXJM-UHFFFAOYSA-N 1 0 309.322 1.850 20 5 DDBDRO CCS(=O)(=O)NCCC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173366147 198207451 /nfs/dbraw/zinc/20/74/51/198207451.db2.gz OIHMBNRYOLKMBC-NSHDSACASA-N 1 0 315.395 1.575 20 5 DDBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000066138046 352979451 /nfs/dbraw/zinc/97/94/51/352979451.db2.gz GUHNYHOFIIZCHO-GFCCVEGCSA-N 1 0 309.366 1.820 20 5 DDBDRO CC(=O)NC[C@@H]1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000067412504 353047528 /nfs/dbraw/zinc/04/75/28/353047528.db2.gz SANZDKMMPVOXTM-AWEZNQCLSA-N 1 0 321.377 1.822 20 5 DDBDRO CC[NH+]1CCC(NC(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000069371639 353158817 /nfs/dbraw/zinc/15/88/17/353158817.db2.gz SKGVRTPZYVSRGW-UHFFFAOYSA-N 1 0 321.377 1.746 20 5 DDBDRO CC[N@@H+]1CCCN(C(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000069575847 353168542 /nfs/dbraw/zinc/16/85/42/353168542.db2.gz YKANNILNMTTXLV-UHFFFAOYSA-N 1 0 321.377 1.700 20 5 DDBDRO C[NH+]1CCC(NC(=O)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000174021366 198282326 /nfs/dbraw/zinc/28/23/26/198282326.db2.gz BXFNABKTUDGXSK-UHFFFAOYSA-N 1 0 307.350 1.574 20 5 DDBDRO C[C@H](C[NH3+])NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000564993155 304034473 /nfs/dbraw/zinc/03/44/73/304034473.db2.gz OWZQBLVXXHQHHL-LLVKDONJSA-N 1 0 306.366 1.275 20 5 DDBDRO CC[C@@H](CO)[NH+]1CCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000075960329 353388047 /nfs/dbraw/zinc/38/80/47/353388047.db2.gz LXIJQPGZXIPSTH-LBPRGKRZSA-N 1 0 311.357 1.622 20 5 DDBDRO CCOC(=O)c1ccnc(NC[C@@H]2CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000077965669 353498175 /nfs/dbraw/zinc/49/81/75/353498175.db2.gz DVFNYKCSQLALLL-NSHDSACASA-N 1 0 322.365 1.920 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000125059151 354044510 /nfs/dbraw/zinc/04/45/10/354044510.db2.gz KJFZNEVUXOQYTB-MNOVXSKESA-N 1 0 313.379 1.451 20 5 DDBDRO Cc1ccc(S(=O)(=O)N2CC[C@H]([NH3+])C[C@H]2C)cc1[N+](=O)[O-] ZINC000228342554 354322541 /nfs/dbraw/zinc/32/25/41/354322541.db2.gz UIUKHILBNQABIW-MNOVXSKESA-N 1 0 313.379 1.404 20 5 DDBDRO C[C@@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000182433689 199437793 /nfs/dbraw/zinc/43/77/93/199437793.db2.gz BTVMGJWGWAAJNK-OCCSQVGLSA-N 1 0 324.377 1.739 20 5 DDBDRO Cc1nn(C[C@@H](O)C[N@@H+](C)Cc2ccccc2)c(C)c1[N+](=O)[O-] ZINC000303369520 354462147 /nfs/dbraw/zinc/46/21/47/354462147.db2.gz JTWTWUWOEDDCMG-HNNXBMFYSA-N 1 0 318.377 1.901 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000303989240 354463164 /nfs/dbraw/zinc/46/31/64/354463164.db2.gz RCJQVJHCPQWZJI-UHFFFAOYSA-N 1 0 316.361 1.925 20 5 DDBDRO Cn1c(C(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)ccc1[N+](=O)[O-] ZINC000314578265 354486226 /nfs/dbraw/zinc/48/62/26/354486226.db2.gz PCNUMQPQKIYAJL-NEPJUHHUSA-N 1 0 306.366 1.538 20 5 DDBDRO C[NH+](C)CCOCCNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000318686445 354517245 /nfs/dbraw/zinc/51/72/45/354517245.db2.gz MLWURPCAIPXNIO-UHFFFAOYSA-N 1 0 305.338 1.528 20 5 DDBDRO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1)C2 ZINC000319344654 354520972 /nfs/dbraw/zinc/52/09/72/354520972.db2.gz RILNBQKKEOFTIB-NHYWBVRUSA-N 1 0 307.325 1.935 20 5 DDBDRO COC[C@H](C)OC[C@@H](O)C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000319763479 354523371 /nfs/dbraw/zinc/52/33/71/354523371.db2.gz QJOPVSBWLQNYOX-FZMZJTMJSA-N 1 0 312.366 1.405 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000320116858 354524962 /nfs/dbraw/zinc/52/49/62/354524962.db2.gz OOMXOIHKIISLFJ-UWVGGRQHSA-N 1 0 301.368 1.307 20 5 DDBDRO CC[C@H](C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CC(F)(F)F ZINC000402662914 354668906 /nfs/dbraw/zinc/66/89/06/354668906.db2.gz VELBCWXLUJVPBC-ONGXEEELSA-N 1 0 324.303 1.720 20 5 DDBDRO C[C@@H]1CCCN(CC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]1CC[NH3+] ZINC000404307955 354676010 /nfs/dbraw/zinc/67/60/10/354676010.db2.gz IYDBJMZNRLOARJ-TZMCWYRMSA-N 1 0 320.393 1.983 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1CC[NH2+][C@H](C)C1 ZINC000358687803 299220523 /nfs/dbraw/zinc/22/05/23/299220523.db2.gz JWTXFXJBYSIPQX-GHMZBOCLSA-N 1 0 307.350 1.608 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1[C@H](C)C[NH2+]C[C@@H]1C ZINC000493735927 234914602 /nfs/dbraw/zinc/91/46/02/234914602.db2.gz JMDZGOHRIMXTGV-TXEJJXNPSA-N 1 0 306.366 1.524 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@@H]([C@@H](C)O)C2)c1 ZINC000589510903 354997903 /nfs/dbraw/zinc/99/79/03/354997903.db2.gz UNJXPNISUIDLIX-ZYHUDNBSSA-N 1 0 308.334 1.584 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[C@H]1[NH+](C)C ZINC000590334134 355072630 /nfs/dbraw/zinc/07/26/30/355072630.db2.gz FEXUDRORZRSCPH-CHWSQXEVSA-N 1 0 307.350 1.816 20 5 DDBDRO C[NH+]1CCC2(CCN(C(=O)c3c(N)cccc3[N+](=O)[O-])C2)CC1 ZINC000590548140 355110999 /nfs/dbraw/zinc/11/09/99/355110999.db2.gz SMPKBFHWAHNMGV-UHFFFAOYSA-N 1 0 318.377 1.735 20 5 DDBDRO COC(=O)c1cc(C)nc(N2CC[C@H]([NH+](C)C)[C@@H]2C)c1[N+](=O)[O-] ZINC000590568142 355115674 /nfs/dbraw/zinc/11/56/74/355115674.db2.gz AZBXAKVCZPKTHY-JQWIXIFHSA-N 1 0 322.365 1.614 20 5 DDBDRO CCOC(=O)c1ccnc(N2CC[C@H]([NH+](C)C)[C@@H]2C)c1[N+](=O)[O-] ZINC000590568550 355115700 /nfs/dbraw/zinc/11/57/00/355115700.db2.gz FQNUMBXLRXNJPN-JQWIXIFHSA-N 1 0 322.365 1.695 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC000590445085 355098780 /nfs/dbraw/zinc/09/87/80/355098780.db2.gz MZZOLIKOZFCJBD-AAEUAGOBSA-N 1 0 319.361 1.770 20 5 DDBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]C[C@H]1CCC[C@@H]1O)OCCO2 ZINC000590781541 355176712 /nfs/dbraw/zinc/17/67/12/355176712.db2.gz KZEKDVGBXLDXGR-MFKMUULPSA-N 1 0 308.334 1.617 20 5 DDBDRO O=[N+]([O-])c1cc2c(cc1CNC[C@@H]1CCCC[NH2+]1)OCCO2 ZINC000591275552 355275190 /nfs/dbraw/zinc/27/51/90/355275190.db2.gz AGENYFZBBJFXGU-LBPRGKRZSA-N 1 0 307.350 1.598 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NCC[NH2+]C1CC1 ZINC000591346295 355293725 /nfs/dbraw/zinc/29/37/25/355293725.db2.gz ZONVGDGWUXZIPY-UHFFFAOYSA-N 1 0 308.338 1.155 20 5 DDBDRO C[NH2+]C[C@H]1CCCN1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000591351628 355295822 /nfs/dbraw/zinc/29/58/22/355295822.db2.gz BTLBLWPPJNEPMM-CYBMUJFWSA-N 1 0 322.365 1.367 20 5 DDBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]C[C@@H]2C[C@H](F)CN2)n1 ZINC000591579926 355330121 /nfs/dbraw/zinc/33/01/21/355330121.db2.gz ABDSFLNUEPOZJV-CYDGBPFRSA-N 1 0 311.361 1.565 20 5 DDBDRO Cc1cc(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])[nH]n1 ZINC000591740953 355375556 /nfs/dbraw/zinc/37/55/56/355375556.db2.gz NMDMILVFAFLSIK-LBPRGKRZSA-N 1 0 306.322 1.156 20 5 DDBDRO COc1cc(C(=O)N[C@H]2CC23CC[NH2+]CC3)cc([N+](=O)[O-])c1C ZINC000591685894 355361810 /nfs/dbraw/zinc/36/18/10/355361810.db2.gz XEHRNSVYQMTQGK-AWEZNQCLSA-N 1 0 319.361 1.784 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@H]1CC[C@H](O)C1 ZINC000592431399 355581844 /nfs/dbraw/zinc/58/18/44/355581844.db2.gz LRDICTDUITYCHP-RWMBFGLXSA-N 1 0 310.350 1.085 20 5 DDBDRO CC1(C)C[NH2+]CCN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000592473594 355592874 /nfs/dbraw/zinc/59/28/74/355592874.db2.gz FAXYOOVVKFGKTN-UHFFFAOYSA-N 1 0 317.349 1.829 20 5 DDBDRO O=C(Nc1ccncc1[N+](=O)[O-])N[C@@H]1CC[NH2+]C12CCCC2 ZINC000592425553 355579385 /nfs/dbraw/zinc/57/93/85/355579385.db2.gz CUCRWDARPTXHND-GFCCVEGCSA-N 1 0 305.338 1.208 20 5 DDBDRO C[C@@H]([NH3+])[C@@H]1CCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000592428829 355580199 /nfs/dbraw/zinc/58/01/99/355580199.db2.gz ZJFIWVQHBZUGDD-GHMZBOCLSA-N 1 0 307.350 1.535 20 5 DDBDRO Cc1ccc(NCCCNC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)c([N+](=O)[O-])c1 ZINC000592535133 355620341 /nfs/dbraw/zinc/62/03/41/355620341.db2.gz NWYSXBSMFAVXPW-JYAVWHMHSA-N 1 0 318.377 1.287 20 5 DDBDRO CC[C@@H]1CN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000592544942 355623588 /nfs/dbraw/zinc/62/35/88/355623588.db2.gz KNFOCADXOGYYNG-CHWSQXEVSA-N 1 0 320.393 1.617 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000592567925 355631777 /nfs/dbraw/zinc/63/17/77/355631777.db2.gz FKTGPQFUUDDLLQ-NSHDSACASA-N 1 0 304.350 1.703 20 5 DDBDRO Cc1cc(N[C@H]2C[C@@H](C(N)=O)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000593494707 355902539 /nfs/dbraw/zinc/90/25/39/355902539.db2.gz HBPLJIVNZUWVJS-AOOOYVTPSA-N 1 0 300.318 1.549 20 5 DDBDRO CN(CC[NH+]1CCCCC1)c1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000593514942 355909560 /nfs/dbraw/zinc/90/95/60/355909560.db2.gz HEVZCDQDDUDOND-UHFFFAOYSA-N 1 0 306.366 1.616 20 5 DDBDRO COC(=O)c1cnc(N(C)CC[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000593515283 355909853 /nfs/dbraw/zinc/90/98/53/355909853.db2.gz FGHPXVGHMLIWJT-UHFFFAOYSA-N 1 0 322.365 1.699 20 5 DDBDRO Cc1cc(S(=O)(=O)NCCC2(C[NH3+])CC2)ccc1[N+](=O)[O-] ZINC000593730509 355977913 /nfs/dbraw/zinc/97/79/13/355977913.db2.gz JUJIDKYIVLOYMP-UHFFFAOYSA-N 1 0 313.379 1.311 20 5 DDBDRO CN(CC[NH+]1CCCCC1)C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000593883990 356040472 /nfs/dbraw/zinc/04/04/72/356040472.db2.gz PONBUUIECYDYGF-UHFFFAOYSA-N 1 0 321.377 1.918 20 5 DDBDRO O=C(NCCNc1ccccc1[N+](=O)[O-])[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000593902839 356049735 /nfs/dbraw/zinc/04/97/35/356049735.db2.gz YLLBRTYBXFURBL-GXTWGEPZSA-N 1 0 318.377 1.654 20 5 DDBDRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000593918476 356060566 /nfs/dbraw/zinc/06/05/66/356060566.db2.gz DWXWWRUMZQNCTR-RAIGVLPGSA-N 1 0 322.365 1.424 20 5 DDBDRO O=C(CCNc1ccccc1[N+](=O)[O-])NCCC1CC[NH2+]CC1 ZINC000593920103 356061433 /nfs/dbraw/zinc/06/14/33/356061433.db2.gz XJWVBMGXKQTLJV-UHFFFAOYSA-N 1 0 320.393 1.903 20 5 DDBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])cn1C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000594108076 356115354 /nfs/dbraw/zinc/11/53/54/356115354.db2.gz PUIAGCNXCKWMTJ-UTUOFQBUSA-N 1 0 324.381 1.161 20 5 DDBDRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000594106475 356115482 /nfs/dbraw/zinc/11/54/82/356115482.db2.gz YMIAEXFLOKIIGQ-TXEJJXNPSA-N 1 0 307.350 1.430 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000594451342 356221942 /nfs/dbraw/zinc/22/19/42/356221942.db2.gz ROEYNTWLVYUQSA-SECBINFHSA-N 1 0 321.255 1.613 20 5 DDBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C[NH3+])C(F)(F)F)c1 ZINC000594451997 356222646 /nfs/dbraw/zinc/22/26/46/356222646.db2.gz WLMYJRGCTZZERF-SECBINFHSA-N 1 0 323.296 1.936 20 5 DDBDRO C[C@H](C[NH3+])n1cc(CNC(=O)Nc2cccc([N+](=O)[O-])c2)nn1 ZINC000594651675 356274921 /nfs/dbraw/zinc/27/49/21/356274921.db2.gz FRKKDOGXYNNWOH-SECBINFHSA-N 1 0 319.325 1.028 20 5 DDBDRO C[C@H]([NH2+]C[C@]1(OCCO)CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000595078208 356378884 /nfs/dbraw/zinc/37/88/84/356378884.db2.gz MVYXKAKWNRVNLJ-SWLSCSKDSA-N 1 0 310.350 1.413 20 5 DDBDRO Cc1cc(S(=O)(=O)NCC2([NH3+])CCCC2)ccc1[N+](=O)[O-] ZINC000595120218 356386027 /nfs/dbraw/zinc/38/60/27/356386027.db2.gz SARFOQYTDLHPOX-UHFFFAOYSA-N 1 0 313.379 1.453 20 5 DDBDRO O=C(CN[C@]12CCC[C@@H]1C[NH2+]C2)Nc1ccccc1[N+](=O)[O-] ZINC000601331890 358502147 /nfs/dbraw/zinc/50/21/47/358502147.db2.gz IBQBXMVFDKDXAJ-ABAIWWIYSA-N 1 0 304.350 1.265 20 5 DDBDRO O=C(c1ccc([N+](=O)[O-])cn1)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000595224880 356411300 /nfs/dbraw/zinc/41/13/00/356411300.db2.gz JEIRUCFESFONGK-SWLSCSKDSA-N 1 0 318.377 1.984 20 5 DDBDRO C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C[C@@H]1[NH3+] ZINC000595229433 356412504 /nfs/dbraw/zinc/41/25/04/356412504.db2.gz YQQGNTQGNAKJRD-MFKMUULPSA-N 1 0 314.345 1.952 20 5 DDBDRO C[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])n2C)[C@@H]1CCC[NH3+] ZINC000595258751 356423177 /nfs/dbraw/zinc/42/31/77/356423177.db2.gz TUAJJZVSUAXTNP-VXGBXAGGSA-N 1 0 308.382 1.913 20 5 DDBDRO C[NH2+]C[C@@H](C)NC(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-] ZINC000595262058 356424425 /nfs/dbraw/zinc/42/44/25/356424425.db2.gz HTXRYUUQCOKMHO-GFCCVEGCSA-N 1 0 323.397 1.612 20 5 DDBDRO Cc1cc(S(=O)(=O)N(C)[C@@H]2CC[NH2+]C2)c(F)cc1[N+](=O)[O-] ZINC000601338116 358505522 /nfs/dbraw/zinc/50/55/22/358505522.db2.gz OFDVZIUIXCROHP-SECBINFHSA-N 1 0 317.342 1.025 20 5 DDBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000081333194 192252718 /nfs/dbraw/zinc/25/27/18/192252718.db2.gz NLTNKQRVMHQPIA-CYBMUJFWSA-N 1 0 323.397 1.372 20 5 DDBDRO O=c1[n-]c(C2CC[NH+](Cc3ccc(F)cc3[N+](=O)[O-])CC2)n[nH]1 ZINC000595465666 356503372 /nfs/dbraw/zinc/50/33/72/356503372.db2.gz PVNTVXZTLPZPLQ-UHFFFAOYSA-N 1 0 321.312 1.937 20 5 DDBDRO NC(=O)c1ccc(C[N@H+](C2CC2)C2(CO)CCC2)c([N+](=O)[O-])c1 ZINC000595533895 356536850 /nfs/dbraw/zinc/53/68/50/356536850.db2.gz PPHJLETVCDFYPZ-UHFFFAOYSA-N 1 0 319.361 1.573 20 5 DDBDRO CC[N@@H+]1CCCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000595536899 356538698 /nfs/dbraw/zinc/53/86/98/356538698.db2.gz XAMZZABQUBYAQY-LBPRGKRZSA-N 1 0 320.393 1.610 20 5 DDBDRO C[NH2+]C[C@@H](C)CNS(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC000565247398 304057695 /nfs/dbraw/zinc/05/76/95/304057695.db2.gz WDZLDFLEMVWNGK-SECBINFHSA-N 1 0 315.395 1.345 20 5 DDBDRO CC[C@@H](C)[C@H]([NH3+])C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000236905519 202062944 /nfs/dbraw/zinc/06/29/44/202062944.db2.gz JKSBZNFYNNBZHD-DOMZBBRYSA-N 1 0 320.393 1.617 20 5 DDBDRO C[C@]12COC[C@@H]1C[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C2 ZINC000595758438 356639914 /nfs/dbraw/zinc/63/99/14/356639914.db2.gz MYBJAFYYLDLOPZ-XEZPLFJOSA-N 1 0 322.361 1.303 20 5 DDBDRO C[C@@]12COC[C@H]1C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C2 ZINC000595761675 356642290 /nfs/dbraw/zinc/64/22/90/356642290.db2.gz ZBHXHELHKJDLTN-IUODEOHRSA-N 1 0 305.334 1.162 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@H]2C[C@@H](O)C23CCC3)c1 ZINC000595785036 356651496 /nfs/dbraw/zinc/65/14/96/356651496.db2.gz VVVUHBVZNJFYME-UONOGXRCSA-N 1 0 320.345 1.775 20 5 DDBDRO COC(=O)[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)[C@@H]1C ZINC000347202616 283207049 /nfs/dbraw/zinc/20/70/49/283207049.db2.gz KTMUWLZPDKJMIW-ZYHUDNBSSA-N 1 0 308.334 1.987 20 5 DDBDRO C[NH2+]CCNC(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000237093904 202152309 /nfs/dbraw/zinc/15/23/09/202152309.db2.gz LDAIOVOTNAKIOZ-UHFFFAOYSA-N 1 0 319.264 1.154 20 5 DDBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC2CC1(C[NH3+])C2 ZINC000595910409 356701579 /nfs/dbraw/zinc/70/15/79/356701579.db2.gz PQRSQMVEROGIQT-NLTNOIMHSA-N 1 0 304.350 1.345 20 5 DDBDRO CC1(C)CC[NH2+][C@H]1C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000595923468 356706054 /nfs/dbraw/zinc/70/60/54/356706054.db2.gz WIYKGONXOAEREI-ZDUSSCGKSA-N 1 0 306.366 1.511 20 5 DDBDRO CC(C)([NH3+])c1cc(C(=O)NCCc2ccc([N+](=O)[O-])cc2)on1 ZINC000595930637 356709054 /nfs/dbraw/zinc/70/90/54/356709054.db2.gz BDVSXYORSJPAIU-UHFFFAOYSA-N 1 0 318.333 1.749 20 5 DDBDRO C[NH2+]C[C@H](C)NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000595983072 356735207 /nfs/dbraw/zinc/73/52/07/356735207.db2.gz NINGDTZKFUOFER-IUCAKERBSA-N 1 0 315.757 1.740 20 5 DDBDRO CN(CC(C)(C)[NH3+])C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000595943262 356715664 /nfs/dbraw/zinc/71/56/64/356715664.db2.gz IOOZZIJIWKBGKJ-UHFFFAOYSA-N 1 0 308.382 1.983 20 5 DDBDRO C[C@H]1CCC[N@H+](CCNc2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596076294 356764054 /nfs/dbraw/zinc/76/40/54/356764054.db2.gz OULWAEAKJVESDO-NSHDSACASA-N 1 0 306.366 1.838 20 5 DDBDRO CN(C)CC[NH+]1CCC(Nc2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596078317 356765232 /nfs/dbraw/zinc/76/52/32/356765232.db2.gz WGWBZPVCNPCISO-UHFFFAOYSA-N 1 0 309.370 1.133 20 5 DDBDRO COc1cccc(NCCC[NH+]2CCC(O)CC2)c1[N+](=O)[O-] ZINC000596085064 356766464 /nfs/dbraw/zinc/76/64/64/356766464.db2.gz HFINCACFSLAOSZ-UHFFFAOYSA-N 1 0 309.366 1.862 20 5 DDBDRO CC[N@@H+]1CCC[C@H](CNc2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596094036 356769948 /nfs/dbraw/zinc/76/99/48/356769948.db2.gz HFGMNVJPRANCOI-LLVKDONJSA-N 1 0 306.366 1.838 20 5 DDBDRO C[C@@H](CNc1c(Cl)cncc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000596104796 356772909 /nfs/dbraw/zinc/77/29/09/356772909.db2.gz NKWGVFNMWBWDLN-JTQLQIEISA-N 1 0 313.789 1.113 20 5 DDBDRO Cc1ccnc(N2CCC(CO)([NH2+]CC(C)C)CC2)c1[N+](=O)[O-] ZINC000596253543 356833971 /nfs/dbraw/zinc/83/39/71/356833971.db2.gz VMOBVTCNLWBMJP-UHFFFAOYSA-N 1 0 322.409 1.875 20 5 DDBDRO CC(C)(C)[N@@H+]1CC[C@H]1CNc1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000596308734 356852746 /nfs/dbraw/zinc/85/27/46/356852746.db2.gz MKOOVOQOIUEZDU-JTQLQIEISA-N 1 0 306.366 1.978 20 5 DDBDRO Cc1ccnc(N[C@@H](C)CN(C)CCC[NH+](C)C)c1[N+](=O)[O-] ZINC000596362397 356864463 /nfs/dbraw/zinc/86/44/63/356864463.db2.gz ZWXIMVVZCQNTCI-ZDUSSCGKSA-N 1 0 309.414 1.982 20 5 DDBDRO COc1cc(C(=O)NCC[C@H]2CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000237256271 202207567 /nfs/dbraw/zinc/20/75/67/202207567.db2.gz LPVONMSTVCYPFB-LLVKDONJSA-N 1 0 307.350 1.723 20 5 DDBDRO CN(C)C(=O)CN(CC[NH+](C)C)Cc1csc([N+](=O)[O-])c1 ZINC000597206531 357092389 /nfs/dbraw/zinc/09/23/89/357092389.db2.gz UPAXGJVTWSIRPO-UHFFFAOYSA-N 1 0 314.411 1.108 20 5 DDBDRO CCOc1cc(C[N@@H+]2CC[C@H](C(=O)OC)C2)ccc1[N+](=O)[O-] ZINC000276854796 213135619 /nfs/dbraw/zinc/13/56/19/213135619.db2.gz FIEIYECCZRHPFC-LBPRGKRZSA-N 1 0 308.334 1.988 20 5 DDBDRO CCc1n[nH]c(C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)c1[N+](=O)[O-] ZINC000597858575 357360724 /nfs/dbraw/zinc/36/07/24/357360724.db2.gz NMNLIYCAWSXPGD-SECBINFHSA-N 1 0 309.370 1.483 20 5 DDBDRO C[C@H](CCNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)[NH+](C)C ZINC000597992961 357409932 /nfs/dbraw/zinc/40/99/32/357409932.db2.gz QFIQWPLINZEIMU-SNVBAGLBSA-N 1 0 323.349 1.436 20 5 DDBDRO CCN(C(=O)CNc1ccccc1[N+](=O)[O-])[C@H]1CC[N@H+](CC)C1 ZINC000598040929 357438819 /nfs/dbraw/zinc/43/88/19/357438819.db2.gz JKFYCCIUYZAVBY-ZDUSSCGKSA-N 1 0 320.393 1.949 20 5 DDBDRO CCN(C(=O)COc1ccccc1[N+](=O)[O-])[C@H]1CC[N@H+](CC)C1 ZINC000598042567 357439596 /nfs/dbraw/zinc/43/95/96/357439596.db2.gz PSFJWMCSRNONPV-ZDUSSCGKSA-N 1 0 321.377 1.916 20 5 DDBDRO O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1cc([N+](=O)[O-])n[nH]1 ZINC000598218999 357497277 /nfs/dbraw/zinc/49/72/77/357497277.db2.gz KKOYTSMLHQAABP-SNVBAGLBSA-N 1 0 307.354 1.455 20 5 DDBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N(C)CC2C[NH+](C)C2)c1 ZINC000598162992 357478763 /nfs/dbraw/zinc/47/87/63/357478763.db2.gz LWGSLURUNGTWKX-UHFFFAOYSA-N 1 0 309.391 1.950 20 5 DDBDRO COc1ccc(OCC[N@@H+]2CC[C@H](C)[C@@H](CO)C2)c([N+](=O)[O-])c1 ZINC000598647127 357669287 /nfs/dbraw/zinc/66/92/87/357669287.db2.gz BUTVSAKFMWVEFV-QWHCGFSZSA-N 1 0 324.377 1.933 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH2+][C@H](C(C)C)C2)c1 ZINC000598572010 357637169 /nfs/dbraw/zinc/63/71/69/357637169.db2.gz JXXCZOKYCOZHSI-ZDUSSCGKSA-N 1 0 307.350 1.673 20 5 DDBDRO Cc1ccc(S(=O)(=O)NC[C@@H]([NH3+])C(C)C)c(C)c1[N+](=O)[O-] ZINC000598716204 357701617 /nfs/dbraw/zinc/70/16/17/357701617.db2.gz AEDUTOVLBDGXHN-LLVKDONJSA-N 1 0 315.395 1.473 20 5 DDBDRO Cc1ccc(S(=O)(=O)NCC2([NH3+])CCC2)c(C)c1[N+](=O)[O-] ZINC000598716933 357702188 /nfs/dbraw/zinc/70/21/88/357702188.db2.gz XACZHUVOMNDNBZ-UHFFFAOYSA-N 1 0 313.379 1.371 20 5 DDBDRO COc1cc(CN2C[C@H]3CCC[C@]3([NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000598720719 357703443 /nfs/dbraw/zinc/70/34/43/357703443.db2.gz RKSYDBKDLHQUFX-WBMJQRKESA-N 1 0 321.377 1.925 20 5 DDBDRO C[C@@H](Nc1cc(N)c([N+](=O)[O-])c(CO)c1)C1CC[NH+](C)CC1 ZINC000599042343 357800822 /nfs/dbraw/zinc/80/08/22/357800822.db2.gz CPKVLJJAXVKSEW-SNVBAGLBSA-N 1 0 308.382 1.812 20 5 DDBDRO Cc1cc(NC[C@@H](O)[C@H]2CCCO2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000599131718 357825054 /nfs/dbraw/zinc/82/50/54/357825054.db2.gz BDEVOHNTQIVHNA-HZPDHXFCSA-N 1 0 317.345 1.825 20 5 DDBDRO C[N@@H+]1CCCC[C@H](CNc2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000599141813 357828046 /nfs/dbraw/zinc/82/80/46/357828046.db2.gz RLWFQJQDZDEQIY-LLVKDONJSA-N 1 0 306.366 1.838 20 5 DDBDRO COc1ccc(NC(=O)N(C)CCOCC[NH3+])cc1[N+](=O)[O-] ZINC000599604202 357989563 /nfs/dbraw/zinc/98/95/63/357989563.db2.gz MAPQPXPAIQVQJV-UHFFFAOYSA-N 1 0 312.326 1.042 20 5 DDBDRO C[NH2+]CCOCCN(C)C(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000599606960 357991227 /nfs/dbraw/zinc/99/12/27/357991227.db2.gz SCCBYHSJYOXMLR-UHFFFAOYSA-N 1 0 324.381 1.911 20 5 DDBDRO C[C@@H]1CC[C@H](NC(=O)NCCc2cccc([N+](=O)[O-])c2)C[NH2+]1 ZINC000599922034 358081440 /nfs/dbraw/zinc/08/14/40/358081440.db2.gz XKTZXBLBUFMAOG-YPMHNXCESA-N 1 0 306.366 1.577 20 5 DDBDRO CC[C@@H]([NH3+])CNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000565539312 304075179 /nfs/dbraw/zinc/07/51/79/304075179.db2.gz UJTNVTWICYEUGJ-MRVPVSSYSA-N 1 0 304.306 1.316 20 5 DDBDRO Cn1ccnc1[C@@H](N[C@@H]1CC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000600713706 358291702 /nfs/dbraw/zinc/29/17/02/358291702.db2.gz KYPBVWDIZDZRCC-OCCSQVGLSA-N 1 0 301.350 1.369 20 5 DDBDRO [NH3+]C[C@@H]1CN(CCn2cc([N+](=O)[O-])cn2)CC[C@@H]1C(F)(F)F ZINC000600724830 358297246 /nfs/dbraw/zinc/29/72/46/358297246.db2.gz IITNUTNBIJGGJC-KOLCDFICSA-N 1 0 321.303 1.250 20 5 DDBDRO O=[N+]([O-])c1ccc(N2C[C@@H]3C[C@H]2C[NH2+]3)c(F)c1N1CCOCC1 ZINC000600884932 358338465 /nfs/dbraw/zinc/33/84/65/358338465.db2.gz GPLMYESNOQRLNR-QWRGUYRKSA-N 1 0 322.340 1.121 20 5 DDBDRO C[NH+](C)C[C@]1(O)CCCN(c2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000601188203 358439405 /nfs/dbraw/zinc/43/94/05/358439405.db2.gz DHSOANJTELOWBC-CYBMUJFWSA-N 1 0 314.773 1.536 20 5 DDBDRO CC(C)(C[NH+]1CCOCC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000602026924 358782573 /nfs/dbraw/zinc/78/25/73/358782573.db2.gz PPTDEBJVGIVOCO-UHFFFAOYSA-N 1 0 307.350 1.892 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@H]3CCOC3)CC2)cn1 ZINC000602510070 359020165 /nfs/dbraw/zinc/02/01/65/359020165.db2.gz IYDOWSOABARRSZ-GFCCVEGCSA-N 1 0 306.366 1.585 20 5 DDBDRO CC(C)C[C@@H](CO)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602523719 359025008 /nfs/dbraw/zinc/02/50/08/359025008.db2.gz HMPZKXHPEHZRRE-AWEZNQCLSA-N 1 0 322.409 1.955 20 5 DDBDRO CS(=O)(=O)CC1(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000602571199 359049616 /nfs/dbraw/zinc/04/96/16/359049616.db2.gz FNPVFWAUYCAKPF-UHFFFAOYSA-N 1 0 312.391 1.552 20 5 DDBDRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000602543052 359035555 /nfs/dbraw/zinc/03/55/55/359035555.db2.gz FZHBLTKZNYZFQG-NWDGAFQWSA-N 1 0 307.350 1.403 20 5 DDBDRO C[C@@H]1CC[C@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])C[NH2+]1 ZINC000602554661 359042647 /nfs/dbraw/zinc/04/26/47/359042647.db2.gz NKXPPSKCVAPMGU-NEPJUHHUSA-N 1 0 307.350 1.620 20 5 DDBDRO C[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[C@@H]1CCOC1 ZINC000602559647 359044897 /nfs/dbraw/zinc/04/48/97/359044897.db2.gz VVBAVYTVYIVADB-QWHCGFSZSA-N 1 0 320.393 1.973 20 5 DDBDRO C[C@@H]1C[C@@H]1N1C[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1=O ZINC000602560459 359045733 /nfs/dbraw/zinc/04/57/33/359045733.db2.gz ZSBSGUNAZDOFJD-KYOSRNDESA-N 1 0 303.362 1.736 20 5 DDBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000602600412 359065049 /nfs/dbraw/zinc/06/50/49/359065049.db2.gz JACXBHTYFXHNDS-ONGXEEELSA-N 1 0 303.343 1.996 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CCN1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000602774804 359180676 /nfs/dbraw/zinc/18/06/76/359180676.db2.gz BMPJEZQZTWDNMY-CQSZACIVSA-N 1 0 307.398 1.660 20 5 DDBDRO C[C@]12C[N@H+](Cc3ccc([N+](=O)[O-])cc3F)C[C@@]1(C)C(=O)NC2=O ZINC000602723865 359150564 /nfs/dbraw/zinc/15/05/64/359150564.db2.gz HQZFBZJCIZSPEC-GASCZTMLSA-N 1 0 321.308 1.219 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@@H](O)C[C@H]1c1ccccc1 ZINC000602839809 359228349 /nfs/dbraw/zinc/22/83/49/359228349.db2.gz IVAMJXIHFUMBNX-GJZGRUSLSA-N 1 0 316.361 1.908 20 5 DDBDRO COC(=O)[C@@H]1C[C@@H](C)[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])[C@@H](C)C1 ZINC000602915309 359291942 /nfs/dbraw/zinc/29/19/42/359291942.db2.gz AIFPATSDKNWKKY-PTEHBNRSSA-N 1 0 324.381 1.762 20 5 DDBDRO Cc1cncc([N+](=O)[O-])c1NC(=O)N1CC[N@@H+](C)C[C@H]1C(C)C ZINC000602953292 359318270 /nfs/dbraw/zinc/31/82/70/359318270.db2.gz RYHVPARUNMUBBW-ZDUSSCGKSA-N 1 0 321.381 1.524 20 5 DDBDRO CCCN(CCC[NH+](C)C)C(=O)Nc1c(C)cncc1[N+](=O)[O-] ZINC000602950506 359316610 /nfs/dbraw/zinc/31/66/10/359316610.db2.gz FOEVOCPXWBVPGW-UHFFFAOYSA-N 1 0 323.397 1.916 20 5 DDBDRO C[NH+](C)C[C@@]1(O)CCCN(Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000602893873 359276917 /nfs/dbraw/zinc/27/69/17/359276917.db2.gz WRZTZCWOLGHZHF-HNNXBMFYSA-N 1 0 311.357 1.622 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@@H]1c1ncccn1 ZINC000602896773 359279329 /nfs/dbraw/zinc/27/93/29/359279329.db2.gz GXFGSMFBKBZNRE-GFCCVEGCSA-N 1 0 302.338 1.727 20 5 DDBDRO C[C@](CO)([NH2+]C[C@@H](O)CC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000602963451 359326196 /nfs/dbraw/zinc/32/61/96/359326196.db2.gz VTUMVNLTHRAUEQ-NWDGAFQWSA-N 1 0 322.283 1.705 20 5 DDBDRO CO[C@@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@@](C)(CO)C1 ZINC000602964532 359327795 /nfs/dbraw/zinc/32/77/95/359327795.db2.gz QZKMVBBUWMCDFW-LSDHHAIUSA-N 1 0 310.350 1.445 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H](OC)C[C@@]1(C)CO ZINC000602965140 359329263 /nfs/dbraw/zinc/32/92/63/359329263.db2.gz ZRSBCKOQALTQTI-ZFWWWQNUSA-N 1 0 310.350 1.575 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@H](O)[C@H]2CCCC[C@H]21 ZINC000602997845 359346750 /nfs/dbraw/zinc/34/67/50/359346750.db2.gz RXEPSEKECZRDHI-ZNMIVQPWSA-N 1 0 321.377 1.382 20 5 DDBDRO O=[N+]([O-])c1ccccc1Cn1cc(C[C@H]2CCC[NH2+]C2)nn1 ZINC000603187307 359466598 /nfs/dbraw/zinc/46/65/98/359466598.db2.gz RCDXJKCBVDHCPR-GFCCVEGCSA-N 1 0 301.350 1.777 20 5 DDBDRO C[C@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC[C@@H]1O ZINC000186900510 200028776 /nfs/dbraw/zinc/02/87/76/200028776.db2.gz HPDTXANIZJCYTP-FZMZJTMJSA-N 1 0 307.350 1.626 20 5 DDBDRO Cn1cc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c([N+](=O)[O-])n1 ZINC000603430023 359635249 /nfs/dbraw/zinc/63/52/49/359635249.db2.gz QIVYWIIUNRJICL-QWHCGFSZSA-N 1 0 307.398 1.540 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000604229147 359728689 /nfs/dbraw/zinc/72/86/89/359728689.db2.gz DRQVBEICLPUGJU-SNVBAGLBSA-N 1 0 308.338 1.819 20 5 DDBDRO [NH3+]CCCOC1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000237825171 202364322 /nfs/dbraw/zinc/36/43/22/202364322.db2.gz BLYMIBOUZKACSA-UHFFFAOYSA-N 1 0 307.350 1.565 20 5 DDBDRO CCC[N@H+](CC)CCNc1ncc(C(=O)OC)cc1[N+](=O)[O-] ZINC000189335973 200383769 /nfs/dbraw/zinc/38/37/69/200383769.db2.gz DQHRYCUTOCWIAT-UHFFFAOYSA-N 1 0 310.354 1.920 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@H]1CCC[C@@H]1OC(F)F ZINC000348519903 283540772 /nfs/dbraw/zinc/54/07/72/283540772.db2.gz GPBIHJBUDPGTPY-QWRGUYRKSA-N 1 0 317.292 1.506 20 5 DDBDRO COCC[N@@H+]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000609269713 360286120 /nfs/dbraw/zinc/28/61/20/360286120.db2.gz VXNSBHDCOFPKOV-ZDUSSCGKSA-N 1 0 321.377 1.744 20 5 DDBDRO COc1ccc(CNC(=O)[C@H]2CCCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000609547383 360323014 /nfs/dbraw/zinc/32/30/14/360323014.db2.gz BNJDYCAMEJLDJG-GFCCVEGCSA-N 1 0 307.350 1.704 20 5 DDBDRO C[C@H]1CC[N@H+](CCNCc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000610395585 360425038 /nfs/dbraw/zinc/42/50/38/360425038.db2.gz JTBJGWDGXNKHMQ-LBPRGKRZSA-N 1 0 321.377 1.797 20 5 DDBDRO Cc1nc(N2CCC[N@H+](C[C@@H]3CCCO3)CC2)ccc1[N+](=O)[O-] ZINC000610754536 360527799 /nfs/dbraw/zinc/52/77/99/360527799.db2.gz YEBMANHUYWRSSV-AWEZNQCLSA-N 1 0 320.393 1.989 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(NC[C@@H](O)C[NH+]2CCC(C)CC2)n1 ZINC000610806952 360541552 /nfs/dbraw/zinc/54/15/52/360541552.db2.gz BFLGXSKCLLEYOE-CYBMUJFWSA-N 1 0 308.382 1.803 20 5 DDBDRO C[C@@H](CO)CCC[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611146493 360637008 /nfs/dbraw/zinc/63/70/08/360637008.db2.gz QFTYRKHSWDWUAU-LLVKDONJSA-N 1 0 310.350 1.864 20 5 DDBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCc1nnnn1C ZINC000611327900 360699813 /nfs/dbraw/zinc/69/98/13/360699813.db2.gz ZOQKZLMWVBIBPR-LLVKDONJSA-N 1 0 304.354 1.272 20 5 DDBDRO CN(CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1F)S(C)(=O)=O ZINC000611497713 360736937 /nfs/dbraw/zinc/73/69/37/360736937.db2.gz UOIBJQXGMQFARQ-UHFFFAOYSA-N 1 0 319.358 1.105 20 5 DDBDRO [NH3+][C@@H]1CCCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000191351702 200677166 /nfs/dbraw/zinc/67/71/66/200677166.db2.gz LIAFSXBXPUWYGZ-CYBMUJFWSA-N 1 0 318.377 1.758 20 5 DDBDRO C[C@H]1COCCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000612104200 360921175 /nfs/dbraw/zinc/92/11/75/360921175.db2.gz QTMCVEQIGXTUJV-QWHCGFSZSA-N 1 0 310.350 1.445 20 5 DDBDRO Cc1ccc(S(=O)(=O)NC[C@@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000292537495 223133643 /nfs/dbraw/zinc/13/36/43/223133643.db2.gz GSNKYQLUVYQPMX-SNVBAGLBSA-N 1 0 315.395 1.379 20 5 DDBDRO O=[N+]([O-])c1cccc(CN2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000195198604 201358625 /nfs/dbraw/zinc/35/86/25/201358625.db2.gz RRGVGUMAVNWAEA-OAHLLOKOSA-N 1 0 305.378 1.749 20 5 DDBDRO Cc1cc(OCC(=O)N[C@H]2CCC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000619536091 364051427 /nfs/dbraw/zinc/05/14/27/364051427.db2.gz IQOMHTJAJVKRLU-LBPRGKRZSA-N 1 0 307.350 1.492 20 5 DDBDRO O=C(Cn1ccc([N+](=O)[O-])n1)N1CCC[N@H+](CC2CCC2)CC1 ZINC000619868429 364167472 /nfs/dbraw/zinc/16/74/72/364167472.db2.gz CUEOGIOYYZPKSQ-UHFFFAOYSA-N 1 0 321.381 1.126 20 5 DDBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000359223197 299363447 /nfs/dbraw/zinc/36/34/47/299363447.db2.gz HRHVIYOEYKUGJY-GFCCVEGCSA-N 1 0 304.350 1.631 20 5 DDBDRO CC(C)[C@H]([NH3+])CCN(C)C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000566244206 304132401 /nfs/dbraw/zinc/13/24/01/304132401.db2.gz JTJULOOKQCXWIB-LLVKDONJSA-N 1 0 323.349 1.769 20 5 DDBDRO C[C@@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1cn[nH]c1 ZINC000275152049 212153528 /nfs/dbraw/zinc/15/35/28/212153528.db2.gz GYDRHMQVTUXUPW-SNVBAGLBSA-N 1 0 315.333 1.558 20 5 DDBDRO C[C@@H](CC[NH3+])NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000349951376 284116603 /nfs/dbraw/zinc/11/66/03/284116603.db2.gz LKESLQXDNIYQIB-VIFPVBQESA-N 1 0 315.757 1.871 20 5 DDBDRO COCC1(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000261880909 203142922 /nfs/dbraw/zinc/14/29/22/203142922.db2.gz MKWQENDWLZTISQ-LBPRGKRZSA-N 1 0 321.377 1.788 20 5 DDBDRO COCC1(CNC(=O)c2cc([N+](=O)[O-])ccc2C)CC[NH2+]CC1 ZINC000261963194 203162347 /nfs/dbraw/zinc/16/23/47/203162347.db2.gz YALBEJHAZYGRHQ-UHFFFAOYSA-N 1 0 321.377 1.649 20 5 DDBDRO COCC1(C(=O)NCc2ccc([N+](=O)[O-])cc2)CC[NH2+]CC1 ZINC000262409127 203286998 /nfs/dbraw/zinc/28/69/98/203286998.db2.gz CWYVOSAIQQASLZ-UHFFFAOYSA-N 1 0 307.350 1.227 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000094340913 193361998 /nfs/dbraw/zinc/36/19/98/193361998.db2.gz UJSQUHFPOFUUQO-PWSUYJOCSA-N 1 0 313.379 1.261 20 5 DDBDRO CCCc1n[nH]c(C(=O)NCC2([NH+](C)C)CCCC2)c1[N+](=O)[O-] ZINC000264608424 204025225 /nfs/dbraw/zinc/02/52/25/204025225.db2.gz JMFVBASKEWMCSG-UHFFFAOYSA-N 1 0 323.397 1.875 20 5 DDBDRO C[NH+](C)CCCCNC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000264895669 204246469 /nfs/dbraw/zinc/24/64/69/204246469.db2.gz KNKFNNATCSIBOH-UHFFFAOYSA-N 1 0 313.329 1.571 20 5 DDBDRO O=C(COc1ccccc1[N+](=O)[O-])N1CC[NH+](C2CCC2)CC1 ZINC000264965015 204308908 /nfs/dbraw/zinc/30/89/08/204308908.db2.gz MVIKPDPQCKERJX-UHFFFAOYSA-N 1 0 319.361 1.670 20 5 DDBDRO COc1cc(C(=O)N2CC[C@H]([NH+](C)C)C2)cc([N+](=O)[O-])c1OC ZINC000265960783 205000582 /nfs/dbraw/zinc/00/05/82/205000582.db2.gz QHDBBTJLIUNHHB-NSHDSACASA-N 1 0 323.349 1.388 20 5 DDBDRO CNC(=O)c1ccc(N2CC[C@H]([NH+]3CC=CC3)C2)c([N+](=O)[O-])c1 ZINC000266206661 205183175 /nfs/dbraw/zinc/18/31/75/205183175.db2.gz FGBURIHPYPQFGD-ZDUSSCGKSA-N 1 0 316.361 1.405 20 5 DDBDRO C[C@@H](O)C[C@@H](C)C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000566620696 304172162 /nfs/dbraw/zinc/17/21/62/304172162.db2.gz QJXQCAIHDKQBKU-VXGBXAGGSA-N 1 0 309.366 1.920 20 5 DDBDRO COC(=O)CC[C@@H]([NH3+])C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000288507488 220186554 /nfs/dbraw/zinc/18/65/54/220186554.db2.gz BQLGDWCWDQEJKD-ZYHUDNBSSA-N 1 0 323.349 1.361 20 5 DDBDRO C[NH+](C)[C@@H]1CCC[C@H](Nc2ncc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000267266619 205937815 /nfs/dbraw/zinc/93/78/15/205937815.db2.gz LKTGPDKAFMGZAF-VHSXEESVSA-N 1 0 307.354 1.373 20 5 DDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000159926848 197374213 /nfs/dbraw/zinc/37/42/13/197374213.db2.gz PCZAWUJCESYYMS-OAHLLOKOSA-N 1 0 321.377 1.100 20 5 DDBDRO COc1ccc(NC(=O)CC[N@H+]2CC[C@H](OC)C2)c([N+](=O)[O-])c1 ZINC000267767609 206268634 /nfs/dbraw/zinc/26/86/34/206268634.db2.gz GBAIXFMVJSLITO-LBPRGKRZSA-N 1 0 323.349 1.653 20 5 DDBDRO [NH3+]CC1CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000567351088 304213739 /nfs/dbraw/zinc/21/37/39/304213739.db2.gz VHMCTLRHZCKBGM-UHFFFAOYSA-N 1 0 314.345 1.954 20 5 DDBDRO C[N@@H+]1CC[C@@H]2OCCN(CCOc3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000284740397 218157775 /nfs/dbraw/zinc/15/77/75/218157775.db2.gz DJIMXOKRVHQONB-CVEARBPZSA-N 1 0 321.377 1.379 20 5 DDBDRO Cc1c([C@@H](C)[NH2+]C[C@@H]2CCS(=O)(=O)C2)cccc1[N+](=O)[O-] ZINC000268733121 206934371 /nfs/dbraw/zinc/93/43/71/206934371.db2.gz CSJVQZHHOHTWMV-NEPJUHHUSA-N 1 0 312.391 1.989 20 5 DDBDRO CCc1n[nH]c(C(=O)NCC2(C[NH+](C)C)CCCC2)c1[N+](=O)[O-] ZINC000273572929 210881765 /nfs/dbraw/zinc/88/17/65/210881765.db2.gz DMOBJJGIQXLFLB-UHFFFAOYSA-N 1 0 323.397 1.732 20 5 DDBDRO CC[N@@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000110815578 194360566 /nfs/dbraw/zinc/36/05/66/194360566.db2.gz VOXFRBIDUQPLND-UHFFFAOYSA-N 1 0 307.350 1.771 20 5 DDBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C)[N@H+](C)C1CC1 ZINC000057716083 184049789 /nfs/dbraw/zinc/04/97/89/184049789.db2.gz DJPKKWJZXHLVKP-LLVKDONJSA-N 1 0 320.393 1.873 20 5 DDBDRO CCn1nc(C)c([N+](=O)[O-])c1NCCC[N@H+](C)CCN(C)C ZINC000341089953 251375085 /nfs/dbraw/zinc/37/50/85/251375085.db2.gz QYLUIKDUUNTLON-UHFFFAOYSA-N 1 0 312.418 1.415 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](CCO)CC1CC1 ZINC000352467070 285071621 /nfs/dbraw/zinc/07/16/21/285071621.db2.gz IEHZFRSHZASNFS-UHFFFAOYSA-N 1 0 321.377 1.936 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000415496877 533139570 /nfs/dbraw/zinc/13/95/70/533139570.db2.gz HGHNPFDBTJKMEF-UWVGGRQHSA-N 1 0 308.338 1.804 20 5 DDBDRO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[C@H]1O ZINC000352657691 285201821 /nfs/dbraw/zinc/20/18/21/285201821.db2.gz BYTRMFTTXVUSFK-UONOGXRCSA-N 1 0 307.350 1.769 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1[C@H](C)C[NH+](C)C[C@H]1C ZINC000155115328 197023650 /nfs/dbraw/zinc/02/36/50/197023650.db2.gz OYFPSVZFWGBIMF-GHMZBOCLSA-N 1 0 309.370 1.041 20 5 DDBDRO CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000289670652 221143348 /nfs/dbraw/zinc/14/33/48/221143348.db2.gz RLPXWKXWKTVESU-DOMZBBRYSA-N 1 0 320.393 1.757 20 5 DDBDRO CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000289734521 221188052 /nfs/dbraw/zinc/18/80/52/221188052.db2.gz VKQKPDCNHGUXMF-NEPJUHHUSA-N 1 0 306.366 1.511 20 5 DDBDRO COC[C@@]1(C(=O)OC)CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000294923312 224313705 /nfs/dbraw/zinc/31/37/05/224313705.db2.gz BBTMVMZGDDWETL-OAHLLOKOSA-N 1 0 308.334 1.606 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000414659852 533225519 /nfs/dbraw/zinc/22/55/19/533225519.db2.gz UGKFNGXEUFFOQN-NSHDSACASA-N 1 0 324.337 1.185 20 5 DDBDRO CSc1ccc(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)cc1[N+](=O)[O-] ZINC000290039667 221394720 /nfs/dbraw/zinc/39/47/20/221394720.db2.gz GMLGEMNIKHYDHU-RYUDHWBXSA-N 1 0 321.402 1.998 20 5 DDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NCCC[NH2+]C)cc1OC ZINC000121155952 195301030 /nfs/dbraw/zinc/30/10/30/195301030.db2.gz UUAOJRLWGKPZKG-UHFFFAOYSA-N 1 0 311.338 1.341 20 5 DDBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH2+]C[C@H]1C ZINC000125094933 195711551 /nfs/dbraw/zinc/71/15/51/195711551.db2.gz ANUZUVLFGFOMBW-GHMZBOCLSA-N 1 0 309.391 1.896 20 5 DDBDRO CS(=O)(=O)CCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000424166827 533349898 /nfs/dbraw/zinc/34/98/98/533349898.db2.gz BMCOXUPTVIARKN-UHFFFAOYSA-N 1 0 304.343 1.648 20 5 DDBDRO Cc1n[nH]c(C(=O)NCCC[N@H+]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000299565069 533665649 /nfs/dbraw/zinc/66/56/49/533665649.db2.gz USMLODAVLKIVJP-JTQLQIEISA-N 1 0 309.370 1.621 20 5 DDBDRO Cc1n[nH]c(C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000299580597 533665929 /nfs/dbraw/zinc/66/59/29/533665929.db2.gz OUIPJXMXWLYCHY-SNVBAGLBSA-N 1 0 309.370 1.477 20 5 DDBDRO CCO[C@H]1C[C@H]1[NH2+]Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000568588007 304299622 /nfs/dbraw/zinc/29/96/22/304299622.db2.gz FRRGOUAWZDBFKN-RISCZKNCSA-N 1 0 324.333 1.414 20 5 DDBDRO Cc1ccc(S(=O)(=O)N[C@H]2C[NH2+]CC[C@H]2C)c([N+](=O)[O-])c1 ZINC000440833255 292184928 /nfs/dbraw/zinc/18/49/28/292184928.db2.gz NWEYRIULSOJAML-MNOVXSKESA-N 1 0 313.379 1.180 20 5 DDBDRO COC(=O)c1cc(C(=O)N2CC[C@](C)(C[NH3+])C2)cc([N+](=O)[O-])c1 ZINC000569360823 304351337 /nfs/dbraw/zinc/35/13/37/304351337.db2.gz UANLCVJHIIKZAT-OAHLLOKOSA-N 1 0 321.333 1.192 20 5 DDBDRO C[C@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1C[NH3+] ZINC000070177398 406812833 /nfs/dbraw/zinc/81/28/33/406812833.db2.gz JBBCRFAJZKKPPQ-GXFFZTMASA-N 1 0 313.379 1.343 20 5 DDBDRO CC[NH+]1CCN(CC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000076425108 406967521 /nfs/dbraw/zinc/96/75/21/406967521.db2.gz AHLYSXXTWKWDJN-CYBMUJFWSA-N 1 0 320.393 1.410 20 5 DDBDRO CN1CC[N@H+](C)C[C@H]1CNCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000084440146 407088792 /nfs/dbraw/zinc/08/87/92/407088792.db2.gz RSLZBGNXMYPYJE-CYBMUJFWSA-N 1 0 312.801 1.584 20 5 DDBDRO C[NH+](C)C(C)(C)CNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000089620064 407141705 /nfs/dbraw/zinc/14/17/05/407141705.db2.gz VLHOFZBSTKUYCV-UHFFFAOYSA-N 1 0 315.395 1.750 20 5 DDBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc2c(c1)OCO2 ZINC000090539701 407170525 /nfs/dbraw/zinc/17/05/25/407170525.db2.gz FNWLMXDOYDCKLM-SNVBAGLBSA-N 1 0 304.306 1.871 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000057700545 407217251 /nfs/dbraw/zinc/21/72/51/407217251.db2.gz HCZBRRPWHKGVRK-JTQLQIEISA-N 1 0 309.370 1.089 20 5 DDBDRO COc1cc(C(=O)N(C)CC[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000103116746 407331701 /nfs/dbraw/zinc/33/17/01/407331701.db2.gz QGDYIROEYQFSRX-UHFFFAOYSA-N 1 0 307.350 1.771 20 5 DDBDRO CC[NH+](CC)[C@H](C)CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000068080097 407294321 /nfs/dbraw/zinc/29/43/21/407294321.db2.gz WXTYRLFGAHKYBI-SNVBAGLBSA-N 1 0 319.365 1.931 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000122659638 407307551 /nfs/dbraw/zinc/30/75/51/407307551.db2.gz KSYSPVSSVAQZLG-NSHDSACASA-N 1 0 309.370 1.090 20 5 DDBDRO CC[C@@H]1CN(c2nc(C)ccc2[N+](=O)[O-])CC[N@@H+]1C[C@@H](C)O ZINC000124696605 407366274 /nfs/dbraw/zinc/36/62/74/407366274.db2.gz BQBKKBGKQQEUEE-CHWSQXEVSA-N 1 0 308.382 1.580 20 5 DDBDRO C[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C[C@@H]1CCCOC1 ZINC000107691356 407378448 /nfs/dbraw/zinc/37/84/48/407378448.db2.gz SHGDFBZQJXMXSR-NSHDSACASA-N 1 0 307.350 1.552 20 5 DDBDRO CC[C@H](C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)[NH+](C)C ZINC000125263645 407383018 /nfs/dbraw/zinc/38/30/18/407383018.db2.gz FNHHSCWJWNPDRP-DGCLKSJQSA-N 1 0 321.381 1.343 20 5 DDBDRO CC[N@@H+]1CC[C@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000107895221 407381246 /nfs/dbraw/zinc/38/12/46/407381246.db2.gz PSFMFOGZAHXEII-SECBINFHSA-N 1 0 310.329 1.388 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000125900811 407401028 /nfs/dbraw/zinc/40/10/28/407401028.db2.gz NCACZJOAUVPENH-UHFFFAOYSA-N 1 0 321.381 1.465 20 5 DDBDRO CC[C@@H]([NH3+])CNS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000111304207 407406724 /nfs/dbraw/zinc/40/67/24/407406724.db2.gz TVEVLOMKUMQQAN-SNVBAGLBSA-N 1 0 301.368 1.227 20 5 DDBDRO CCCC[N@H+](C)CCNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000112309914 407425911 /nfs/dbraw/zinc/42/59/11/407425911.db2.gz BYARJJALHKYELY-UHFFFAOYSA-N 1 0 308.382 1.855 20 5 DDBDRO C[N@@H+]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C(C)(C)C1 ZINC000271010062 407467742 /nfs/dbraw/zinc/46/77/42/407467742.db2.gz HRPAKSSVAWNYND-UHFFFAOYSA-N 1 0 306.366 1.220 20 5 DDBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000271042075 407485311 /nfs/dbraw/zinc/48/53/11/407485311.db2.gz RCYKWEAFCAQJEY-LBPRGKRZSA-N 1 0 323.397 1.370 20 5 DDBDRO COC[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000265802579 407460974 /nfs/dbraw/zinc/46/09/74/407460974.db2.gz OGFHGEREPAZNLK-GFCCVEGCSA-N 1 0 307.350 1.892 20 5 DDBDRO CC(C)OC(=O)C[C@@H](NC(=O)[C@H](C)[NH3+])c1ccccc1[N+](=O)[O-] ZINC000151857077 407513639 /nfs/dbraw/zinc/51/36/39/407513639.db2.gz BWAXXYVZYFQEFT-CMPLNLGQSA-N 1 0 323.349 1.441 20 5 DDBDRO COc1cc(C(=O)NC[C@H]2CC[N@H+](C)C2)cc([N+](=O)[O-])c1OC ZINC000265950218 407521686 /nfs/dbraw/zinc/52/16/86/407521686.db2.gz MGSWJNOHXVJWLC-SNVBAGLBSA-N 1 0 323.349 1.294 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C2(c3ccccc3)CC2)c1 ZINC000266730802 407613254 /nfs/dbraw/zinc/61/32/54/407613254.db2.gz KMMHIKBNHPJQJN-AWEZNQCLSA-N 1 0 302.334 1.431 20 5 DDBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000261846263 407638129 /nfs/dbraw/zinc/63/81/29/407638129.db2.gz ZFQDQPMLGOXDSQ-QWHCGFSZSA-N 1 0 320.393 1.443 20 5 DDBDRO CCCN(C(=O)COc1ccc([N+](=O)[O-])cc1)[C@H]1CC[NH2+]C1 ZINC000178896340 407645536 /nfs/dbraw/zinc/64/55/36/407645536.db2.gz CUHSNIOPEPMWER-ZDUSSCGKSA-N 1 0 307.350 1.574 20 5 DDBDRO CCCN(C(=O)CN(C)c1ccccc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000178908151 407650917 /nfs/dbraw/zinc/65/09/17/407650917.db2.gz YSVILDSASKLWQV-ZDUSSCGKSA-N 1 0 320.393 1.632 20 5 DDBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)Cc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000262077421 407732147 /nfs/dbraw/zinc/73/21/47/407732147.db2.gz GRWUBYKGVHNMQD-VHDGCEQUSA-N 1 0 303.362 1.723 20 5 DDBDRO CC(C)([NH3+])CC(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000236834505 407775273 /nfs/dbraw/zinc/77/52/73/407775273.db2.gz AGAZHKBLJWEFLA-SNVBAGLBSA-N 1 0 307.354 1.130 20 5 DDBDRO CN(CC(=O)N[C@@H]1CCC[C@@H]1C[NH3+])c1ccccc1[N+](=O)[O-] ZINC000237070830 407793054 /nfs/dbraw/zinc/79/30/54/407793054.db2.gz UPUIWYODXLAWRJ-VXGBXAGGSA-N 1 0 306.366 1.275 20 5 DDBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)Cc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000262360993 407812678 /nfs/dbraw/zinc/81/26/78/407812678.db2.gz WKIQAJVFMBZLIS-HZSPNIEDSA-N 1 0 303.362 1.723 20 5 DDBDRO O=[N+]([O-])c1cccc(Br)c1OC[C@@H]1C[NH2+]CCO1 ZINC000133526651 407853821 /nfs/dbraw/zinc/85/38/21/407853821.db2.gz UFDBQKZHQXKAPR-QMMMGPOBSA-N 1 0 317.139 1.725 20 5 DDBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)NCC[NH2+]C1CC1 ZINC000237999702 407865340 /nfs/dbraw/zinc/86/53/40/407865340.db2.gz XKTRYXVWCMAMAJ-UHFFFAOYSA-N 1 0 306.366 1.655 20 5 DDBDRO COC(=O)c1cc(C(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000272501718 407949666 /nfs/dbraw/zinc/94/96/66/407949666.db2.gz DUIFYYWDEUADPF-ZJUUUORDSA-N 1 0 321.333 1.204 20 5 DDBDRO CC[N@H+](C)CCNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272426292 407914880 /nfs/dbraw/zinc/91/48/80/407914880.db2.gz YHJWFARBMPTXDI-UHFFFAOYSA-N 1 0 301.293 1.755 20 5 DDBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000268151144 407916643 /nfs/dbraw/zinc/91/66/43/407916643.db2.gz UQUPASLZXMTSEW-ABAIWWIYSA-N 1 0 318.377 1.877 20 5 DDBDRO Cn1ncc2c1CCC[C@H]2[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000135560702 408030636 /nfs/dbraw/zinc/03/06/36/408030636.db2.gz WFJNOHUDNMQRMV-CYBMUJFWSA-N 1 0 304.354 1.534 20 5 DDBDRO COCC(C)(C)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000181726442 408031133 /nfs/dbraw/zinc/03/11/33/408031133.db2.gz HVGUAIYVMZEJJF-UHFFFAOYSA-N 1 0 316.379 1.383 20 5 DDBDRO C[C@@H](O)C[N@@H+]1CCN(CCOc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000189553189 408050115 /nfs/dbraw/zinc/05/01/15/408050115.db2.gz CFVYQIUFZHGWTD-ZIAGYGMSSA-N 1 0 323.393 1.361 20 5 DDBDRO CC[C@@H]([NH2+][C@@H](C)C(=O)NCC(=O)OC)c1cccc([N+](=O)[O-])c1 ZINC000181540047 408007804 /nfs/dbraw/zinc/00/78/04/408007804.db2.gz QBVYPUYIAJSENU-GXFFZTMASA-N 1 0 323.349 1.313 20 5 DDBDRO CC[C@@H](CSC)[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000245592724 408023045 /nfs/dbraw/zinc/02/30/45/408023045.db2.gz LXXCGKVFGDGFLH-CMPLNLGQSA-N 1 0 302.400 1.226 20 5 DDBDRO Cc1sc(S(=O)(=O)NCC[N@@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000155611625 408187707 /nfs/dbraw/zinc/18/77/07/408187707.db2.gz BGNYHJOITJAGGS-UHFFFAOYSA-N 1 0 321.424 1.583 20 5 DDBDRO C[C@@H]([NH3+])[C@@H](C)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000182846122 408263855 /nfs/dbraw/zinc/26/38/55/408263855.db2.gz FBKIEEZEYRZMSW-VXGBXAGGSA-N 1 0 306.366 1.227 20 5 DDBDRO CCOC(=O)C[C@@H](C)[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000182671669 408217388 /nfs/dbraw/zinc/21/73/88/408217388.db2.gz SLBYCEBCTTZCBM-SNVBAGLBSA-N 1 0 323.349 1.467 20 5 DDBDRO O=[N+]([O-])c1ccn(CCN2CC[C@@H](C[NH+]3CCCCC3)C2)n1 ZINC000176267100 408326095 /nfs/dbraw/zinc/32/60/95/408326095.db2.gz PEQSENMIMZMMRF-AWEZNQCLSA-N 1 0 307.398 1.599 20 5 DDBDRO COCC[N@H+](C)CCNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000263820622 408274579 /nfs/dbraw/zinc/27/45/79/408274579.db2.gz ZWUMBIIVXOLVSI-UHFFFAOYSA-N 1 0 324.381 1.091 20 5 DDBDRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000151263306 408286832 /nfs/dbraw/zinc/28/68/32/408286832.db2.gz YKOPIYRYUANKRR-HNNXBMFYSA-N 1 0 320.393 1.805 20 5 DDBDRO CC[C@@H](CO)[NH+]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000269438930 408310370 /nfs/dbraw/zinc/31/03/70/408310370.db2.gz CZUXVKRZEGQURJ-AWEZNQCLSA-N 1 0 321.377 1.052 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@@H](C)[C@H](CO)C1 ZINC000190884724 408335095 /nfs/dbraw/zinc/33/50/95/408335095.db2.gz YGRBIKKXWWFXOJ-OLZOCXBDSA-N 1 0 321.377 1.792 20 5 DDBDRO C[NH+](C)[C@H]1CCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000264005786 408343468 /nfs/dbraw/zinc/34/34/68/408343468.db2.gz IWRBFDFKUWHPOV-AWEZNQCLSA-N 1 0 316.361 1.712 20 5 DDBDRO Cc1c(C(=O)N[C@@H](C)[C@H](C)N2CCOCC2)cccc1[N+](=O)[O-] ZINC000264222954 408409917 /nfs/dbraw/zinc/40/99/17/408409917.db2.gz HFQVFXXGIZSUJH-STQMWFEESA-N 1 0 321.377 1.742 20 5 DDBDRO Cc1c(C(=O)N[C@@H](C)[C@@H](C)N2CCOCC2)cccc1[N+](=O)[O-] ZINC000264222952 408410888 /nfs/dbraw/zinc/41/08/88/408410888.db2.gz HFQVFXXGIZSUJH-QWHCGFSZSA-N 1 0 321.377 1.742 20 5 DDBDRO COCC[N@@H+]1CC[C@H](NC(=O)/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000264429799 408486738 /nfs/dbraw/zinc/48/67/38/408486738.db2.gz ALRYNXZWEOXSGJ-UZYOAWRESA-N 1 0 319.361 1.445 20 5 DDBDRO Cc1c(NC(=O)CC[N@@H+](CCO)C(C)C)cccc1[N+](=O)[O-] ZINC000177032803 408502297 /nfs/dbraw/zinc/50/22/97/408502297.db2.gz MJUZPIIYSFVBAG-UHFFFAOYSA-N 1 0 309.366 1.935 20 5 DDBDRO C[C@@H]1C[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C[N@@H+]1C1CC1 ZINC000177081882 408514136 /nfs/dbraw/zinc/51/41/36/408514136.db2.gz XZISOKHRSOTQCL-SCZZXKLOSA-N 1 0 322.340 1.671 20 5 DDBDRO C[C@@H]1C[C@@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)C[N@@H+]1C1CC1 ZINC000177088008 408516658 /nfs/dbraw/zinc/51/66/58/408516658.db2.gz LOLMANGLGOBSRZ-VXGBXAGGSA-N 1 0 319.361 1.715 20 5 DDBDRO COc1ccc(C[N@H+](C)CCn2cc([N+](=O)[O-])cn2)cc1O ZINC000177215241 408555613 /nfs/dbraw/zinc/55/56/13/408555613.db2.gz JFCZYNDWRPGUJD-UHFFFAOYSA-N 1 0 306.322 1.638 20 5 DDBDRO COc1cccc(C(=O)N2CC[C@H](C[NH+](C)C)C2)c1[N+](=O)[O-] ZINC000192572841 408610766 /nfs/dbraw/zinc/61/07/66/408610766.db2.gz UYIIKPDWEYMOEU-LLVKDONJSA-N 1 0 307.350 1.627 20 5 DDBDRO COC[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(C)o1 ZINC000184641385 408659923 /nfs/dbraw/zinc/65/99/23/408659923.db2.gz PXIJZLONADHUBA-OLZOCXBDSA-N 1 0 324.337 1.031 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC[N@@H+](C)CC1 ZINC000162084155 408669759 /nfs/dbraw/zinc/66/97/59/408669759.db2.gz XQRACQGORZGOBV-UHFFFAOYSA-N 1 0 320.349 1.006 20 5 DDBDRO COCC[N@H+](C)CCCNC(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000193709929 408740790 /nfs/dbraw/zinc/74/07/90/408740790.db2.gz HOLFWBJAPVQVAC-UHFFFAOYSA-N 1 0 324.381 1.993 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC(O)(c3ccccc3)CC2)n1 ZINC000185486263 408813214 /nfs/dbraw/zinc/81/32/14/408813214.db2.gz NIYVZXLQVDMNRN-UHFFFAOYSA-N 1 0 316.361 1.775 20 5 DDBDRO CC(C)[C@H](C)[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000177999873 408753715 /nfs/dbraw/zinc/75/37/15/408753715.db2.gz UMVZDBZNCNBHMN-NSHDSACASA-N 1 0 315.395 1.507 20 5 DDBDRO C[C@H](C[S@](C)=O)[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000185126357 408765147 /nfs/dbraw/zinc/76/51/47/408765147.db2.gz NDDLCHFPWBEEST-GIPWTMENSA-N 1 0 300.380 1.672 20 5 DDBDRO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000178106823 408775491 /nfs/dbraw/zinc/77/54/91/408775491.db2.gz SKEFTMPORJEMPY-CYBMUJFWSA-N 1 0 319.361 1.389 20 5 DDBDRO C[N@@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 ZINC000276134217 408822177 /nfs/dbraw/zinc/82/21/77/408822177.db2.gz BQFQEEXKUPHLOA-JTQLQIEISA-N 1 0 313.379 1.362 20 5 DDBDRO CCN(CCC[NH+](C)C)C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000276227825 408826291 /nfs/dbraw/zinc/82/62/91/408826291.db2.gz NNRUTSKGOQKRFT-UHFFFAOYSA-N 1 0 309.366 1.774 20 5 DDBDRO C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N)C1=CC[N@H+](C)CC1 ZINC000276297587 408830927 /nfs/dbraw/zinc/83/09/27/408830927.db2.gz WPCZZJZFXJHZOQ-SNVBAGLBSA-N 1 0 304.350 1.557 20 5 DDBDRO C[NH+](C)[C@H]1CCC[C@@H](Nc2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000290832003 408840304 /nfs/dbraw/zinc/84/03/04/408840304.db2.gz UTFYDLCFZGUVBO-ZJUUUORDSA-N 1 0 307.354 1.373 20 5 DDBDRO COc1ccc(OCC[N@@H+]2CC[C@@](C)(C(N)=O)C2)c([N+](=O)[O-])c1 ZINC000280832182 408843177 /nfs/dbraw/zinc/84/31/77/408843177.db2.gz WCHXAFPVEILBNA-OAHLLOKOSA-N 1 0 323.349 1.180 20 5 DDBDRO Cc1c(NC(=O)[C@H](C)[N@H+](C)CCCCO)cccc1[N+](=O)[O-] ZINC000276460247 408863224 /nfs/dbraw/zinc/86/32/24/408863224.db2.gz XINHBMSGMLQHOB-LBPRGKRZSA-N 1 0 309.366 1.935 20 5 DDBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC(=O)NCC(F)F ZINC000280971105 408866863 /nfs/dbraw/zinc/86/68/63/408866863.db2.gz VLGKZNZSEPLIMM-SNVBAGLBSA-N 1 0 315.320 1.887 20 5 DDBDRO CC[NH+](CC)[C@@H](C)CNc1nc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000285981375 408902152 /nfs/dbraw/zinc/90/21/52/408902152.db2.gz BZPSPKQCKSZUEJ-JTQLQIEISA-N 1 0 310.354 1.919 20 5 DDBDRO CCc1ccc(C(=O)N2CCN(CCO)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000188742014 163065382 /nfs/dbraw/zinc/06/53/82/163065382.db2.gz XLSTUWRODIBOIX-LBPRGKRZSA-N 1 0 321.377 1.296 20 5 DDBDRO C[C@@H](CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])C[NH+](C)C ZINC000291754080 408917492 /nfs/dbraw/zinc/91/74/92/408917492.db2.gz GBDPCWPNDCNNHJ-QMMMGPOBSA-N 1 0 321.424 1.669 20 5 DDBDRO C[C@@H](O)C[N@@H+]1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H]1C ZINC000277482158 408948818 /nfs/dbraw/zinc/94/88/18/408948818.db2.gz CPGBAXREHGDQDY-GHMZBOCLSA-N 1 0 319.365 1.362 20 5 DDBDRO C[C@@H](C[NH+](C)C)NC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000286859540 409000919 /nfs/dbraw/zinc/00/09/19/409000919.db2.gz CAODNBWOGZVZFX-VIFPVBQESA-N 1 0 312.345 1.480 20 5 DDBDRO C[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]1CO ZINC000281952718 408959840 /nfs/dbraw/zinc/95/98/40/408959840.db2.gz FQKFDWBHJKQAIU-RISCZKNCSA-N 1 0 307.350 1.626 20 5 DDBDRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000277583554 408969748 /nfs/dbraw/zinc/96/97/48/408969748.db2.gz OQRVEHSICMQCPY-BXKDBHETSA-N 1 0 311.313 1.227 20 5 DDBDRO Cn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)n1 ZINC000277598568 408974456 /nfs/dbraw/zinc/97/44/56/408974456.db2.gz TYSQBFBYEIGVPS-LLVKDONJSA-N 1 0 307.354 1.075 20 5 DDBDRO CC[N@@H+]1CCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000286428182 408982905 /nfs/dbraw/zinc/98/29/05/408982905.db2.gz IRGUNVOBFGSNHB-CYBMUJFWSA-N 1 0 320.393 1.584 20 5 DDBDRO CCCN(CC[NH+]1CCCC1)C(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000287631401 409067858 /nfs/dbraw/zinc/06/78/58/409067858.db2.gz ZPRFPSPKEAEOKC-UHFFFAOYSA-N 1 0 323.397 1.434 20 5 DDBDRO CCC[C@]1(CO)CCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000277755322 409005513 /nfs/dbraw/zinc/00/55/13/409005513.db2.gz LULBGMZOUHTLOJ-OAHLLOKOSA-N 1 0 309.366 1.384 20 5 DDBDRO CS[C@@H]1CN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H]1[NH+](C)C ZINC000278165317 409076104 /nfs/dbraw/zinc/07/61/04/409076104.db2.gz ASWWARPGLORLCY-QWHCGFSZSA-N 1 0 321.406 1.953 20 5 DDBDRO O=[N+]([O-])c1cnc(NC2CC[NH+](Cc3cccnc3)CC2)nc1 ZINC000287822860 409098654 /nfs/dbraw/zinc/09/86/54/409098654.db2.gz QMFMURPMKZQGKA-UHFFFAOYSA-N 1 0 314.349 1.856 20 5 DDBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000293399284 409105313 /nfs/dbraw/zinc/10/53/13/409105313.db2.gz MHVPSGUIQWWEOP-OLZOCXBDSA-N 1 0 319.361 1.574 20 5 DDBDRO C[N@@H+]1CC[C@]2(CCN(C(=O)c3cc(F)ccc3[N+](=O)[O-])C2)C1 ZINC000293584202 409142816 /nfs/dbraw/zinc/14/28/16/409142816.db2.gz ANVNIKKECDORLQ-HNNXBMFYSA-N 1 0 307.325 1.902 20 5 DDBDRO C[NH+](C)CCNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000279160331 409161224 /nfs/dbraw/zinc/16/12/24/409161224.db2.gz PSEAGHWAGAGADK-UHFFFAOYSA-N 1 0 303.721 1.608 20 5 DDBDRO C[NH2+][C@@H]1CCCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000261675971 163683606 /nfs/dbraw/zinc/68/36/06/163683606.db2.gz COPNQTUAKUTSLC-LLVKDONJSA-N 1 0 322.365 1.226 20 5 DDBDRO [NH3+]C[C@H]1CC[C@H](CNC(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000289358675 409253935 /nfs/dbraw/zinc/25/39/35/409253935.db2.gz YXPAKQIQMYQJSL-JOCQHMNTSA-N 1 0 320.393 1.888 20 5 DDBDRO CN(C)CC[N@H+](C)CCCN(C)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000290164629 409312305 /nfs/dbraw/zinc/31/23/05/409312305.db2.gz PRIYBDUWNMHPCV-UHFFFAOYSA-N 1 0 322.409 1.550 20 5 DDBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000280463449 409315494 /nfs/dbraw/zinc/31/54/94/409315494.db2.gz FUVYPUHMVFLARJ-CYBMUJFWSA-N 1 0 321.377 1.883 20 5 DDBDRO CC[NH2+][C@H](C)CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000262506196 163840565 /nfs/dbraw/zinc/84/05/65/163840565.db2.gz ZXHACTKINUUGQJ-SNVBAGLBSA-N 1 0 306.366 1.897 20 5 DDBDRO CNC(=O)[C@]1(C)CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000280518736 409338535 /nfs/dbraw/zinc/33/85/35/409338535.db2.gz CEZIJUVUBXTCQB-OAHLLOKOSA-N 1 0 307.350 1.561 20 5 DDBDRO C[C@@H](CN1CCOCC1)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285176786 409402950 /nfs/dbraw/zinc/40/29/50/409402950.db2.gz BLASBPBJJFAWBI-AWEZNQCLSA-N 1 0 307.394 1.790 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H]1CCOC1(C)C ZINC000295270328 409406129 /nfs/dbraw/zinc/40/61/29/409406129.db2.gz RZYSPHYYSLCUGK-ZDUSSCGKSA-N 1 0 323.349 1.699 20 5 DDBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])[C@@H]1CCN2CCO[C@H]1C2 ZINC000295379977 409455981 /nfs/dbraw/zinc/45/59/81/409455981.db2.gz KJENQXSYSJNPIO-CJNGLKHVSA-N 1 0 321.377 1.379 20 5 DDBDRO Cc1ccc(S(=O)(=O)N[C@@H](C)CCCC[NH3+])cc1[N+](=O)[O-] ZINC000314630838 164015515 /nfs/dbraw/zinc/01/55/15/164015515.db2.gz FDNUEXAQJLNOJV-NSHDSACASA-N 1 0 315.395 1.699 20 5 DDBDRO Cc1ccc(S(=O)(=O)N[C@H](C)CCCC[NH3+])cc1[N+](=O)[O-] ZINC000314630833 164015701 /nfs/dbraw/zinc/01/57/01/164015701.db2.gz FDNUEXAQJLNOJV-LLVKDONJSA-N 1 0 315.395 1.699 20 5 DDBDRO Nc1c(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000317417110 164027068 /nfs/dbraw/zinc/02/70/68/164027068.db2.gz YIWQBNGOTMTALC-GHMZBOCLSA-N 1 0 304.350 1.534 20 5 DDBDRO C[N@H+](C[C@@H](O)COc1ccc([N+](=O)[O-])c2ncccc12)C1CC1 ZINC000324467570 164051187 /nfs/dbraw/zinc/05/11/87/164051187.db2.gz ZFTVOBTWXUSMDM-GFCCVEGCSA-N 1 0 317.345 1.977 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000408055362 164211591 /nfs/dbraw/zinc/21/15/91/164211591.db2.gz XJTSFUXEVPDZAC-LLVKDONJSA-N 1 0 307.354 1.029 20 5 DDBDRO CC1CCC([NH+]2CCN(C(=O)c3cc([N+](=O)[O-])n[nH]3)CC2)CC1 ZINC000408069538 164216756 /nfs/dbraw/zinc/21/67/56/164216756.db2.gz CEHMIAGEPLJUOA-UHFFFAOYSA-N 1 0 321.381 1.654 20 5 DDBDRO Cc1nn(C)c(C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000408130120 164237333 /nfs/dbraw/zinc/23/73/33/164237333.db2.gz SVISMLNEOMLWSX-KOLCDFICSA-N 1 0 309.370 1.191 20 5 DDBDRO Cc1c(NC(=O)[C@@H](C)NCC2([NH3+])CCC2)cccc1[N+](=O)[O-] ZINC000342094222 409561934 /nfs/dbraw/zinc/56/19/34/409561934.db2.gz FBAONUNGAWUJCY-LLVKDONJSA-N 1 0 306.366 1.701 20 5 DDBDRO CC[N@H+](CCO)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000304230910 409580117 /nfs/dbraw/zinc/58/01/17/409580117.db2.gz NKTYONTXSMKXNX-UHFFFAOYSA-N 1 0 309.322 1.207 20 5 DDBDRO C[C@H]1CC[N@H+](C)CCN1C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000354008343 409596772 /nfs/dbraw/zinc/59/67/72/409596772.db2.gz SINDALPGBYZFNW-NSHDSACASA-N 1 0 309.370 1.079 20 5 DDBDRO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000354139156 409689822 /nfs/dbraw/zinc/68/98/22/409689822.db2.gz PKAFJUXRTVJWJH-OAHLLOKOSA-N 1 0 320.393 1.997 20 5 DDBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000354374214 409806937 /nfs/dbraw/zinc/80/69/37/409806937.db2.gz YUWDZAUKWJWKTG-GFCCVEGCSA-N 1 0 308.382 1.928 20 5 DDBDRO CC(C)[NH2+]CCC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000320376975 409903321 /nfs/dbraw/zinc/90/33/21/409903321.db2.gz QDFYVIYVDDJEFZ-UHFFFAOYSA-N 1 0 320.393 1.632 20 5 DDBDRO Cc1n[nH]c(C(=O)N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000346244103 409869654 /nfs/dbraw/zinc/86/96/54/409869654.db2.gz UNHIFFSBEGBRHS-JBLDHEPKSA-N 1 0 321.381 1.429 20 5 DDBDRO COc1c(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cccc1[N+](=O)[O-] ZINC000332309870 410056732 /nfs/dbraw/zinc/05/67/32/410056732.db2.gz XCILZTUMELFCTK-OLZOCXBDSA-N 1 0 319.361 1.960 20 5 DDBDRO COC(=O)c1cnc(N[C@@H]2CC[N@H+](C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000357701778 410194895 /nfs/dbraw/zinc/19/48/95/410194895.db2.gz XSIILHYNWIWGGS-MWLCHTKSSA-N 1 0 308.338 1.671 20 5 DDBDRO CC(C)[N@H+](C)CCCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000298461487 410238862 /nfs/dbraw/zinc/23/88/62/410238862.db2.gz WRACWMVSJASPBO-UHFFFAOYSA-N 1 0 324.337 1.963 20 5 DDBDRO C[NH+](C)[C@H]1CCCN(c2cccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000343203213 410231901 /nfs/dbraw/zinc/23/19/01/410231901.db2.gz IEKSEDCINQTWBW-NSHDSACASA-N 1 0 306.366 1.614 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@H](C)[C@H](O)C1 ZINC000351787264 410235257 /nfs/dbraw/zinc/23/52/57/410235257.db2.gz YTGXOEZMEGSNIZ-SMDDNHRTSA-N 1 0 307.350 1.544 20 5 DDBDRO Cc1c(NC(=O)[C@H](C)N2CC[C@@H]([C@H](C)[NH3+])C2)cccc1[N+](=O)[O-] ZINC000351858435 410298586 /nfs/dbraw/zinc/29/85/86/410298586.db2.gz DCEQAXYPQPQYLO-RWMBFGLXSA-N 1 0 320.393 1.899 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N(CC[NH+](C)C)CC(C)C ZINC000355300268 410425016 /nfs/dbraw/zinc/42/50/16/410425016.db2.gz BJVFPVKUIBHGRS-UHFFFAOYSA-N 1 0 308.382 1.958 20 5 DDBDRO C[C@@H]1CN(c2ccncc2[N+](=O)[O-])CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000343425655 410442287 /nfs/dbraw/zinc/44/22/87/410442287.db2.gz LOMMRCJCGHTIIF-KGLIPLIRSA-N 1 0 319.409 1.452 20 5 DDBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1[nH]nc(CC)c1[N+](=O)[O-] ZINC000343538594 410516131 /nfs/dbraw/zinc/51/61/31/410516131.db2.gz CHXKJNGNBQDXCA-JTQLQIEISA-N 1 0 309.370 1.485 20 5 DDBDRO CC[N@H+](C[C@H](C)O)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000352187446 410532505 /nfs/dbraw/zinc/53/25/05/410532505.db2.gz RVSQBMIKZPBOPA-FZMZJTMJSA-N 1 0 307.350 1.403 20 5 DDBDRO CCC[NH+]1CCC(NC(=O)c2c([N+](=O)[O-])c(C)nn2C)CC1 ZINC000330644805 410848525 /nfs/dbraw/zinc/84/85/25/410848525.db2.gz FSKPQPFLOHKZDA-UHFFFAOYSA-N 1 0 309.370 1.241 20 5 DDBDRO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CCn3cc([N+](=O)[O-])cn3)[C@H]2C1 ZINC000344031145 410909813 /nfs/dbraw/zinc/90/98/13/410909813.db2.gz CMILMANXQZXGGA-AEGPPILISA-N 1 0 321.381 1.028 20 5 DDBDRO Cc1ccc([C@@H](C)NC(=O)NCC[NH+]2CCC2)cc1[N+](=O)[O-] ZINC000337661070 410926314 /nfs/dbraw/zinc/92/63/14/410926314.db2.gz QJPLWCBEUWVFOX-GFCCVEGCSA-N 1 0 306.366 1.969 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000356293979 410949615 /nfs/dbraw/zinc/94/96/15/410949615.db2.gz ITYNTFMXJRTQDJ-MRXNPFEDSA-N 1 0 318.377 1.856 20 5 DDBDRO C[C@@H]1C[C@@H](CO)CC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000344117198 410968134 /nfs/dbraw/zinc/96/81/34/410968134.db2.gz BLLUILYXXDOUDF-IPYPFGDCSA-N 1 0 324.377 1.427 20 5 DDBDRO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC1(O)CCC1 ZINC000353480851 411021353 /nfs/dbraw/zinc/02/13/53/411021353.db2.gz JLJKAWZFHVOMAS-UHFFFAOYSA-N 1 0 307.350 1.770 20 5 DDBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H](O)C(F)F ZINC000341365971 411024709 /nfs/dbraw/zinc/02/47/09/411024709.db2.gz RRAYGEDYLFSVET-KWQFWETISA-N 1 0 317.292 1.528 20 5 DDBDRO C[C@H]([NH3+])[C@H]1CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000132306441 196244037 /nfs/dbraw/zinc/24/40/37/196244037.db2.gz CNHQHZXSZWEREE-IUCAKERBSA-N 1 0 317.342 1.092 20 5 DDBDRO Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CC2 ZINC001120560708 782023272 /nfs/dbraw/zinc/02/32/72/782023272.db2.gz HRSDDWLYFMGWOE-HOCLYGCPSA-N 1 0 316.361 1.738 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NCC[C@H]1CCC[NH2+]1 ZINC000417184165 225234888 /nfs/dbraw/zinc/23/48/88/225234888.db2.gz QZBWHTYVJVNDFV-GFCCVEGCSA-N 1 0 322.365 1.545 20 5 DDBDRO C[C@@H](NC(=O)N1CCO[C@H](C[NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC000417127829 225218895 /nfs/dbraw/zinc/21/88/95/225218895.db2.gz HAFBFVVFLLUPKP-ZWNOBZJWSA-N 1 0 308.338 1.025 20 5 DDBDRO Cc1ccc(NCCCNC(=O)NCC2C[NH2+]C2)c([N+](=O)[O-])c1 ZINC000417718570 225410785 /nfs/dbraw/zinc/41/07/85/225410785.db2.gz ONWRFAVEPMCHGF-UHFFFAOYSA-N 1 0 321.381 1.224 20 5 DDBDRO Nc1c(C(=O)NC2CC[NH+](C3CCC3)CC2)cccc1[N+](=O)[O-] ZINC000296800595 226227500 /nfs/dbraw/zinc/22/75/00/226227500.db2.gz CCHNCZKAGFZLNV-UHFFFAOYSA-N 1 0 318.377 1.924 20 5 DDBDRO [NH3+]C[C@@H]1CCCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000420295570 226455239 /nfs/dbraw/zinc/45/52/39/226455239.db2.gz VOMHHBUIOPTDKL-JTQLQIEISA-N 1 0 312.757 1.610 20 5 DDBDRO COCCCNC(=O)CN(C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255262924 418566225 /nfs/dbraw/zinc/56/62/25/418566225.db2.gz GKAWAXLKCGRPOL-YVMONPNESA-N 1 0 321.377 1.693 20 5 DDBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000191814554 222110568 /nfs/dbraw/zinc/11/05/68/222110568.db2.gz TXVVSNCAUGSNFM-LBPRGKRZSA-N 1 0 323.397 1.806 20 5 DDBDRO C[C@H](c1nncn1C)N1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000367881544 418651408 /nfs/dbraw/zinc/65/14/08/418651408.db2.gz SDLZOKVFIWHHNH-GHMZBOCLSA-N 1 0 305.342 1.318 20 5 DDBDRO O=[N+]([O-])c1ccc(-c2noc(NCC[N@H+]3CC=CCC3)n2)cc1 ZINC000338711414 418620169 /nfs/dbraw/zinc/62/01/69/418620169.db2.gz KNMXFMMAZKGAOR-UHFFFAOYSA-N 1 0 315.333 2.319 20 5 DDBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000361293308 418620528 /nfs/dbraw/zinc/62/05/28/418620528.db2.gz WNBCFRFCADELGR-FZMZJTMJSA-N 1 0 304.350 1.546 20 5 DDBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N1CCC[N@@H+]([C@@H](C)CO)CC1 ZINC000367825321 418639623 /nfs/dbraw/zinc/63/96/23/418639623.db2.gz JJGLHMIUEKDREC-LBPRGKRZSA-N 1 0 321.377 1.690 20 5 DDBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000368220036 418705785 /nfs/dbraw/zinc/70/57/85/418705785.db2.gz DMGRNWMJEKHBMQ-JKSUJKDBSA-N 1 0 317.389 1.889 20 5 DDBDRO COC(=O)C[C@]1([NH2+]CCOc2ccccc2[N+](=O)[O-])CCOC1 ZINC000362263729 418751332 /nfs/dbraw/zinc/75/13/32/418751332.db2.gz WMTBORSYNBTHII-OAHLLOKOSA-N 1 0 324.333 1.285 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)NCC[NH2+]C2CCCCCC2)n1 ZINC000422854505 227221621 /nfs/dbraw/zinc/22/16/21/227221621.db2.gz AXBOQUJQGCDAOZ-UHFFFAOYSA-N 1 0 323.397 1.853 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000364762702 418809782 /nfs/dbraw/zinc/80/97/82/418809782.db2.gz RXIOGFKFZNGYIS-CYBMUJFWSA-N 1 0 301.350 1.788 20 5 DDBDRO CN(c1ccc([N+](=O)[O-])cn1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000372604712 418886608 /nfs/dbraw/zinc/88/66/08/418886608.db2.gz CLCJHQLCKBNRMP-OAHLLOKOSA-N 1 0 319.409 1.595 20 5 DDBDRO NC(=O)c1ccc(C[N@@H+]2CC[C@H]([C@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC000372155908 418840580 /nfs/dbraw/zinc/84/05/80/418840580.db2.gz HVBCRMVCOPUPMB-JSGCOSHPSA-N 1 0 319.361 1.552 20 5 DDBDRO Nc1c(C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)cc(F)cc1[N+](=O)[O-] ZINC000365252307 418845850 /nfs/dbraw/zinc/84/58/50/418845850.db2.gz VTONBAKPRCVPRS-GZMMTYOYSA-N 1 0 308.313 1.140 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CC[C@](O)(C2CC2)C1 ZINC000365839608 418914636 /nfs/dbraw/zinc/91/46/36/418914636.db2.gz RWJVSIRUOVHXNT-CZUORRHYSA-N 1 0 322.361 1.181 20 5 DDBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000423947566 227820167 /nfs/dbraw/zinc/82/01/67/227820167.db2.gz JEZBQYNQNRFBOX-GBIKHYSHSA-N 1 0 309.391 1.881 20 5 DDBDRO Cc1nn(CCC(=O)N[C@H](C[NH3+])C2CCCC2)c(C)c1[N+](=O)[O-] ZINC000423965804 227829245 /nfs/dbraw/zinc/82/92/45/227829245.db2.gz RDOCOVQHQCODRX-CYBMUJFWSA-N 1 0 323.397 1.432 20 5 DDBDRO C[C@H]1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000424027247 228221066 /nfs/dbraw/zinc/22/10/66/228221066.db2.gz YEZNNSXKIDUIJR-NWDGAFQWSA-N 1 0 307.350 1.417 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCCS(C)(=O)=O ZINC000424292769 228255339 /nfs/dbraw/zinc/25/53/39/228255339.db2.gz HGUBZSJNHARVJW-GFCCVEGCSA-N 1 0 314.407 1.940 20 5 DDBDRO C[C@@H]1C[C@H](CO)C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000420930637 419362265 /nfs/dbraw/zinc/36/22/65/419362265.db2.gz CRRPVFNDTKNSIB-OLZOCXBDSA-N 1 0 321.377 1.874 20 5 DDBDRO CC(C)[C@](C)([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000411729133 419390714 /nfs/dbraw/zinc/39/07/14/419390714.db2.gz UVCJWVLBVFCCJM-HNNXBMFYSA-N 1 0 322.365 1.413 20 5 DDBDRO C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000411622367 419362530 /nfs/dbraw/zinc/36/25/30/419362530.db2.gz SSPCSOVGJBWALQ-SOUVJXGZSA-N 1 0 303.362 1.909 20 5 DDBDRO COC(=O)[C@H]1CN(Cc2cccc([N+](=O)[O-])c2C)CC[N@H+](C)C1 ZINC000411915464 419486064 /nfs/dbraw/zinc/48/60/64/419486064.db2.gz ZHDQRJLCOIWNPI-CQSZACIVSA-N 1 0 321.377 1.440 20 5 DDBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])NCC1C[NH2+]C1 ZINC000417981876 419444996 /nfs/dbraw/zinc/44/49/96/419444996.db2.gz DCUNZHHHYUKFFJ-UHFFFAOYSA-N 1 0 312.757 1.309 20 5 DDBDRO Cc1c(CNC(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000418082296 419519807 /nfs/dbraw/zinc/51/98/07/419519807.db2.gz PXCZOQDJZMPBQE-KGLIPLIRSA-N 1 0 318.377 1.797 20 5 DDBDRO C[C@H](Cn1cccn1)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000298481795 228573100 /nfs/dbraw/zinc/57/31/00/228573100.db2.gz GCOSNYAXIDPCFM-TZMCWYRMSA-N 1 0 320.349 1.209 20 5 DDBDRO Cc1ccc(C[NH2+][C@@H]2CCc3nnnn3CC2)cc1[N+](=O)[O-] ZINC000421398692 419597780 /nfs/dbraw/zinc/59/77/80/419597780.db2.gz OMUSFQCPXXFFHP-GFCCVEGCSA-N 1 0 302.338 1.384 20 5 DDBDRO COc1ccc(C(=O)N(C)C[C@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000421700062 419682976 /nfs/dbraw/zinc/68/29/76/419682976.db2.gz CXXJNMBQJPLKPC-GFCCVEGCSA-N 1 0 307.350 1.770 20 5 DDBDRO CC(C)(NC(=O)NC1CC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1 ZINC000418308091 419692961 /nfs/dbraw/zinc/69/29/61/419692961.db2.gz LZJKKGBGTZUCJY-UHFFFAOYSA-N 1 0 306.366 1.881 20 5 DDBDRO C[N@@H+]1CCO[C@@H]2CN(c3nccc4c3cccc4[N+](=O)[O-])C[C@@H]21 ZINC000413468571 419786193 /nfs/dbraw/zinc/78/61/93/419786193.db2.gz HUHDAXRSLLDTNV-LSDHHAIUSA-N 1 0 314.345 1.662 20 5 DDBDRO CNc1nc(C(=O)N(CC[NH+](C)C)C2CC2)ccc1[N+](=O)[O-] ZINC000412248329 419744483 /nfs/dbraw/zinc/74/44/83/419744483.db2.gz AXARCBSGGYPEQV-UHFFFAOYSA-N 1 0 307.354 1.198 20 5 DDBDRO O=C(CCN1CC[C@@H]2[NH2+]CC[C@@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000428035319 419795157 /nfs/dbraw/zinc/79/51/57/419795157.db2.gz PMQMAVSBABTACJ-OLZOCXBDSA-N 1 0 318.377 1.607 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C1CC1)[C@H]1CC[NH2+]C1 ZINC000435238638 229366334 /nfs/dbraw/zinc/36/63/34/229366334.db2.gz GAJZQKONXVROSA-AWEZNQCLSA-N 1 0 318.377 1.668 20 5 DDBDRO COc1cccc(C(=O)NCC2(C)CC[NH2+]CC2)c1[N+](=O)[O-] ZINC000423514030 420068187 /nfs/dbraw/zinc/06/81/87/420068187.db2.gz CTMCJJWPWQBBDP-UHFFFAOYSA-N 1 0 307.350 1.723 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC(OCCC[NH3+])CC1 ZINC000429608713 420029064 /nfs/dbraw/zinc/02/90/64/420029064.db2.gz GSAYWTXSSVGZJW-UHFFFAOYSA-N 1 0 322.365 1.268 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000415504194 420093294 /nfs/dbraw/zinc/09/32/94/420093294.db2.gz PCHCGHMPTIQXFU-NXEZZACHSA-N 1 0 308.338 1.995 20 5 DDBDRO COc1cc(C(=O)N2CC[NH2+][C@H](C)[C@@H]2C)cc([N+](=O)[O-])c1C ZINC000423606358 420097524 /nfs/dbraw/zinc/09/75/24/420097524.db2.gz KCVYIMWSWXVXJH-MNOVXSKESA-N 1 0 307.350 1.734 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1CN1CC[NH+](C[C@H](C)O)CC1 ZINC000430212962 420091899 /nfs/dbraw/zinc/09/18/99/420091899.db2.gz RNYBDYPZDGZABA-LBPRGKRZSA-N 1 0 309.366 1.102 20 5 DDBDRO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000423836277 420216532 /nfs/dbraw/zinc/21/65/32/420216532.db2.gz FLBISQARVDTEBK-SMDDNHRTSA-N 1 0 309.753 1.864 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000420298205 420190249 /nfs/dbraw/zinc/19/02/49/420190249.db2.gz RVYZLHUKONSBFL-ZDUSSCGKSA-N 1 0 320.393 1.328 20 5 DDBDRO CC(C)[C@@](C)(CN)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000420320491 420204432 /nfs/dbraw/zinc/20/44/32/420204432.db2.gz QJOCRPSINRXTSA-OAHLLOKOSA-N 1 0 308.382 1.886 20 5 DDBDRO Cc1c(NC(=O)[C@@H](C)N2C[C@@H](C)[NH2+][C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000430928404 420210091 /nfs/dbraw/zinc/21/00/91/420210091.db2.gz LIVVSEGQJKQHJI-NTZNESFSSA-N 1 0 320.393 1.912 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[NH2+][C@@H](C)C1 ZINC000420329933 420215285 /nfs/dbraw/zinc/21/52/85/420215285.db2.gz AMCZMZHOSBHCBP-NSHDSACASA-N 1 0 322.365 1.226 20 5 DDBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC[C@@H](C[NH3+])C1 ZINC000430605983 420155004 /nfs/dbraw/zinc/15/50/04/420155004.db2.gz UCUVPKWSSUWJQE-NEPJUHHUSA-N 1 0 306.366 1.593 20 5 DDBDRO C[C@@H]([NH3+])[C@@H]1CCCCN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000430646228 420168850 /nfs/dbraw/zinc/16/88/50/420168850.db2.gz DRNWBZMVZHUZLP-DOMZBBRYSA-N 1 0 320.393 1.759 20 5 DDBDRO COC(=O)c1cnc(NC[C@@H]2CCC[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000420282862 420180937 /nfs/dbraw/zinc/18/09/37/420180937.db2.gz NJZPPVXYKLVQHJ-KOLCDFICSA-N 1 0 308.338 1.706 20 5 DDBDRO COc1ccc(NC(=O)[C@H](C)N2CC[C@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000430965441 420227155 /nfs/dbraw/zinc/22/71/55/420227155.db2.gz JKWVNHPMLGVLRU-WDEREUQCSA-N 1 0 322.365 1.211 20 5 DDBDRO COc1ccc(NC(=O)CN[C@@H](C[NH3+])C(C)(C)C)c([N+](=O)[O-])c1 ZINC000420356378 420234145 /nfs/dbraw/zinc/23/41/45/420234145.db2.gz GIHVBPLRWJTJNT-ZDUSSCGKSA-N 1 0 324.381 1.505 20 5 DDBDRO CC(C)(C)[C@H](CN)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000420360306 420235073 /nfs/dbraw/zinc/23/50/73/420235073.db2.gz LACLCCRHBGYHNP-ZDUSSCGKSA-N 1 0 308.382 1.886 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@H]([NH3+])[C@@H]1C ZINC000420362435 420236457 /nfs/dbraw/zinc/23/64/57/420236457.db2.gz YZHHLQIOHZFYNJ-AAEUAGOBSA-N 1 0 306.366 1.653 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H]1CC[NH2+]CC1(C)C ZINC000420376260 420245479 /nfs/dbraw/zinc/24/54/79/420245479.db2.gz UXDCQVJMDJIPIQ-AWEZNQCLSA-N 1 0 320.393 1.819 20 5 DDBDRO C[C@@H](C(=O)NCCn1cc([N+](=O)[O-])cn1)[C@H]([NH3+])c1ccccc1 ZINC000423891761 420247482 /nfs/dbraw/zinc/24/74/82/420247482.db2.gz BUURMTVJKPAEPY-RISCZKNCSA-N 1 0 317.349 1.244 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@@H](C)[NH2+]C[C@H]1C ZINC000420410549 420267756 /nfs/dbraw/zinc/26/77/56/420267756.db2.gz XXJSQPGXSWHEOB-GHMZBOCLSA-N 1 0 322.365 1.224 20 5 DDBDRO C[C@H]1CN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC[NH2+]1 ZINC000420335620 420219108 /nfs/dbraw/zinc/21/91/08/420219108.db2.gz KPGILSKJJCQTFV-JTQLQIEISA-N 1 0 303.322 1.439 20 5 DDBDRO NC(=O)c1cccc([N+](=O)[O-])c1N1CCC([NH+]2CCCC2)CC1 ZINC000420591181 420324796 /nfs/dbraw/zinc/32/47/96/420324796.db2.gz WZTZPCVKCDKCED-UHFFFAOYSA-N 1 0 318.377 1.758 20 5 DDBDRO C[C@H]1C[C@@H](Nc2c(C(N)=O)cccc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000420600833 420327901 /nfs/dbraw/zinc/32/79/01/420327901.db2.gz MTBCDJAUEDAGPE-VHSXEESVSA-N 1 0 304.350 1.731 20 5 DDBDRO CN1C(=O)NCC12CC[NH+](Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC000425377313 420365544 /nfs/dbraw/zinc/36/55/44/420365544.db2.gz ZTSLPBQUAUSEJG-UHFFFAOYSA-N 1 0 304.350 1.584 20 5 DDBDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444688244 230121427 /nfs/dbraw/zinc/12/14/27/230121427.db2.gz IXNNWQYUAJKGKC-GHMZBOCLSA-N 1 0 303.366 1.996 20 5 DDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])NCC[C@H]1CCC[NH2+]C1 ZINC000417765743 420473246 /nfs/dbraw/zinc/47/32/46/420473246.db2.gz OMTRTPPNWFPFNR-CYBMUJFWSA-N 1 0 320.393 1.826 20 5 DDBDRO CCc1n[nH]c(C(=O)NCC[N@@H+]2CCCC2(C)C)c1[N+](=O)[O-] ZINC000457080687 420604224 /nfs/dbraw/zinc/60/42/24/420604224.db2.gz URPUAIUUIPFCJE-UHFFFAOYSA-N 1 0 309.370 1.485 20 5 DDBDRO Cc1ccc(S(=O)(=O)NC[C@@H]([NH3+])C(C)C)c([N+](=O)[O-])c1 ZINC000440431173 420575276 /nfs/dbraw/zinc/57/52/76/420575276.db2.gz HRRREWGOCJENMZ-SNVBAGLBSA-N 1 0 301.368 1.165 20 5 DDBDRO C[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC[C@H]1[NH3+] ZINC000440442037 420576843 /nfs/dbraw/zinc/57/68/43/420576843.db2.gz KYHORKBJKWHMPX-JGVFFNPUSA-N 1 0 305.381 1.014 20 5 DDBDRO Cc1ccc(C)c(S(=O)(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000440845353 420613105 /nfs/dbraw/zinc/61/31/05/420613105.db2.gz KBTGEFIAWMJXAM-MNOVXSKESA-N 1 0 313.379 1.179 20 5 DDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@@H]2COCCO2)n1 ZINC000447534753 420780684 /nfs/dbraw/zinc/78/06/84/420780684.db2.gz ZQIMCSXMLMXYNO-FRRDWIJNSA-N 1 0 310.354 1.280 20 5 DDBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@H](CO)[C@H]1CCCO1 ZINC000447912095 420816783 /nfs/dbraw/zinc/81/67/83/420816783.db2.gz JJFCBEKHCUQREI-DGCLKSJQSA-N 1 0 300.742 1.878 20 5 DDBDRO CC[C@@H]1OCC[C@H]1[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000459768488 420868396 /nfs/dbraw/zinc/86/83/96/420868396.db2.gz GGVXBLHHYVGBNM-HIFRSBDPSA-N 1 0 319.361 1.641 20 5 DDBDRO CCOc1cc(CN2CC[NH+](C[C@@H](C)O)CC2)ccc1[N+](=O)[O-] ZINC000493543919 420878032 /nfs/dbraw/zinc/87/80/32/420878032.db2.gz KRRMBPIXTDFBJB-CYBMUJFWSA-N 1 0 323.393 1.492 20 5 DDBDRO O=C(/C=C\c1cccc([N+](=O)[O-])c1)N[C@H]1C[NH2+]CCC1(F)F ZINC000493599520 420894336 /nfs/dbraw/zinc/89/43/36/420894336.db2.gz SYNWPIRHXVPXKH-RXNFCKPNSA-N 1 0 311.288 1.721 20 5 DDBDRO CC(C)c1cc(NCCn2cc([N+](=O)[O-])cn2)nc(N(C)C)[nH+]1 ZINC000493824653 420950064 /nfs/dbraw/zinc/95/00/64/420950064.db2.gz TWTBTPIFJAGWRI-UHFFFAOYSA-N 1 0 319.369 1.883 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCC(=O)N1CCOCC1 ZINC000449091609 420947465 /nfs/dbraw/zinc/94/74/65/420947465.db2.gz QSBYFCWATFGYKB-CYBMUJFWSA-N 1 0 321.377 1.364 20 5 DDBDRO COc1cc(C(=O)NC[C@H]2CCC[C@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000449641865 421042726 /nfs/dbraw/zinc/04/27/26/421042726.db2.gz WBZUINBOBHJJBG-JQWIXIFHSA-N 1 0 307.350 1.851 20 5 DDBDRO CC(C)(C(=O)NCCC[C@@H]1CCC[NH2+]1)n1cc([N+](=O)[O-])cn1 ZINC000449682337 421057599 /nfs/dbraw/zinc/05/75/99/421057599.db2.gz NRIZNCYRPMQAIO-NSHDSACASA-N 1 0 309.370 1.175 20 5 DDBDRO COCC[N@H+](C)CCCNc1c2ccccc2ncc1[N+](=O)[O-] ZINC000487933134 421058334 /nfs/dbraw/zinc/05/83/34/421058334.db2.gz SYMCNWSXKCGOBG-UHFFFAOYSA-N 1 0 318.377 1.945 20 5 DDBDRO COc1ccc(C[NH2+]C[C@H]2CCOC[C@H]2OC)cc1[N+](=O)[O-] ZINC000449457393 421015404 /nfs/dbraw/zinc/01/54/04/421015404.db2.gz NOMALOMINLZZGT-IUODEOHRSA-N 1 0 310.350 1.745 20 5 DDBDRO C[C@@H](CNC(=O)NCCNc1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000455447041 421016167 /nfs/dbraw/zinc/01/61/67/421016167.db2.gz YNAKXYHRFPTALE-NSHDSACASA-N 1 0 309.370 1.256 20 5 DDBDRO COC(=O)C1(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000450557147 421210108 /nfs/dbraw/zinc/21/01/08/421210108.db2.gz BMMNJAXMSMMXJE-NSHDSACASA-N 1 0 320.349 1.429 20 5 DDBDRO CC[C@H]1CN(C)CCN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000514750070 421451184 /nfs/dbraw/zinc/45/11/84/421451184.db2.gz KJGBNWAJACZZEB-LBPRGKRZSA-N 1 0 307.350 1.526 20 5 DDBDRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000548059750 421394168 /nfs/dbraw/zinc/39/41/68/421394168.db2.gz XDWMFJIXXWSKNJ-SNVBAGLBSA-N 1 0 307.354 1.176 20 5 DDBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000548714398 421465409 /nfs/dbraw/zinc/46/54/09/421465409.db2.gz WCSAKWJXGXBNQQ-NSHDSACASA-N 1 0 321.381 1.566 20 5 DDBDRO C[C@@H]1C[C@@H](C)C[NH+](CCSc2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000565243510 421597448 /nfs/dbraw/zinc/59/74/48/421597448.db2.gz YWSBREKYFUVBDA-NXEZZACHSA-N 1 0 311.411 2.037 20 5 DDBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000531634630 421641599 /nfs/dbraw/zinc/64/15/99/421641599.db2.gz BSILMQBNOYCVHL-FZMZJTMJSA-N 1 0 306.366 1.792 20 5 DDBDRO C[NH+](C)Cc1ccc(CNC(=O)c2c[nH]nc2[N+](=O)[O-])cc1 ZINC000554833192 421662724 /nfs/dbraw/zinc/66/27/24/421662724.db2.gz HRBWKMSPGNTNKF-UHFFFAOYSA-N 1 0 303.322 1.310 20 5 DDBDRO Cc1[nH]nc(C(=O)Nc2cccc3c2CC[NH2+]C3)c1[N+](=O)[O-] ZINC000571796549 421745904 /nfs/dbraw/zinc/74/59/04/421745904.db2.gz BFGPGKXRFXZFRG-UHFFFAOYSA-N 1 0 301.306 1.524 20 5 DDBDRO O=C(C[C@H]1CCC[NH2+]C1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000572780829 421859769 /nfs/dbraw/zinc/85/97/69/421859769.db2.gz WNUIUMUWZTWVTK-GFCCVEGCSA-N 1 0 303.362 1.869 20 5 DDBDRO CCc1nn(C)c(N2CCC([C@H]3CC[NH2+]C3)CC2)c1[N+](=O)[O-] ZINC000581300808 421941190 /nfs/dbraw/zinc/94/11/90/421941190.db2.gz DGRHQQHPTQICMO-LBPRGKRZSA-N 1 0 307.398 1.717 20 5 DDBDRO CC[C@@H](C)[NH+]1CCN(C(=O)c2ccnc(NC)c2[N+](=O)[O-])CC1 ZINC000574100782 422064095 /nfs/dbraw/zinc/06/40/95/422064095.db2.gz ZVXCNRHEJHZICC-LLVKDONJSA-N 1 0 321.381 1.588 20 5 DDBDRO Cc1ccc(C)c(S(=O)(=O)N[C@H](C)C[C@@H](C)[NH3+])c1[N+](=O)[O-] ZINC000582002825 422085499 /nfs/dbraw/zinc/08/54/99/422085499.db2.gz HNQTXEPPQRPPPT-GHMZBOCLSA-N 1 0 315.395 1.616 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CC2(C(F)(F)F)CC2)c1 ZINC000575117402 422262408 /nfs/dbraw/zinc/26/24/08/422262408.db2.gz MVENSUNBRYCKQB-SECBINFHSA-N 1 0 308.260 1.084 20 5 DDBDRO CNc1ccc(C(=O)NCC2(C)CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000584230952 422290515 /nfs/dbraw/zinc/29/05/15/422290515.db2.gz LRJFSCMNEKUCEP-UHFFFAOYSA-N 1 0 306.366 1.756 20 5 DDBDRO Nc1ccc(NC2CC[NH+](C3CCCC3)CC2)nc1[N+](=O)[O-] ZINC000596153556 422366267 /nfs/dbraw/zinc/36/62/67/422366267.db2.gz HLXLCZFXLDRJFO-UHFFFAOYSA-N 1 0 305.382 2.391 20 5 DDBDRO C[N@@H+]1CC[C@H](Nc2ccc(N)c([N+](=O)[O-])n2)[C@H]1c1ccccc1 ZINC000590582371 422319733 /nfs/dbraw/zinc/31/97/33/422319733.db2.gz QUYRIZTUSIZDHK-DZGCQCFKSA-N 1 0 313.361 2.429 20 5 DDBDRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)c2ccnc(N)c2[N+](=O)[O-])C1 ZINC000597860252 422391861 /nfs/dbraw/zinc/39/18/61/422391861.db2.gz MPLWMPYVUURLNL-SNVBAGLBSA-N 1 0 321.381 1.422 20 5 DDBDRO COC(=O)c1ccnc(NCCCC[N@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000598630887 422397750 /nfs/dbraw/zinc/39/77/50/422397750.db2.gz IFLPBDJGUOXIDJ-UHFFFAOYSA-N 1 0 322.365 2.063 20 5 DDBDRO Cc1cc(NCCCN2CCC[N@@H+](C)CC2)ncc1[N+](=O)[O-] ZINC000610430875 422466715 /nfs/dbraw/zinc/46/67/15/422466715.db2.gz SBVPORAMDYBERG-UHFFFAOYSA-N 1 0 307.398 1.738 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N(CC[NH3+])Cc1ccccc1 ZINC000184208740 263386611 /nfs/dbraw/zinc/38/66/11/263386611.db2.gz COYZXFPUBRFTRF-UHFFFAOYSA-N 1 0 314.345 1.899 20 5 DDBDRO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H]1CCOC1 ZINC000266192282 263611781 /nfs/dbraw/zinc/61/17/81/263611781.db2.gz ZBJITSIISFHXKH-MNOVXSKESA-N 1 0 308.334 1.976 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000341583123 271128026 /nfs/dbraw/zinc/12/80/26/271128026.db2.gz UISULLXAWUIHOU-TZMCWYRMSA-N 1 0 307.350 1.257 20 5 DDBDRO Cc1n[nH]c(C(=O)N(CC[NH3+])Cc2ccccc2)c1[N+](=O)[O-] ZINC000343790710 271872156 /nfs/dbraw/zinc/87/21/56/271872156.db2.gz WKKANZHQXWNJDP-UHFFFAOYSA-N 1 0 303.322 1.227 20 5 DDBDRO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC[N@@H+](C2CCC2)C1 ZINC000344730678 272102589 /nfs/dbraw/zinc/10/25/89/272102589.db2.gz PHXNXZCKVRYQAQ-LLVKDONJSA-N 1 0 306.366 1.869 20 5 DDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)C[NH+](C)C ZINC000344914579 272139850 /nfs/dbraw/zinc/13/98/50/272139850.db2.gz OVCYOSCDFNBHIA-SNVBAGLBSA-N 1 0 315.395 1.386 20 5 DDBDRO CC(C)(NC(=O)[C@@H]([NH3+])CC(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000345704455 272308896 /nfs/dbraw/zinc/30/88/96/272308896.db2.gz DNNPZLVQLNGRPD-JTQLQIEISA-N 1 0 301.293 1.929 20 5 DDBDRO COc1ccc(CNC(=O)[C@@H]([NH3+])CC(F)F)cc1[N+](=O)[O-] ZINC000345727854 272316210 /nfs/dbraw/zinc/31/62/10/272316210.db2.gz VJRCEICPSDBXQG-QMMMGPOBSA-N 1 0 303.265 1.202 20 5 DDBDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2cc([N+](=O)[O-])cnc2C)C[C@H]1C ZINC000345924844 272366471 /nfs/dbraw/zinc/36/64/71/272366471.db2.gz SAIMDUFOGUAZRS-MNOVXSKESA-N 1 0 306.366 1.853 20 5 DDBDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2cccc([N+](=O)[O-])c2N)C[C@@H]1C ZINC000345962907 272376967 /nfs/dbraw/zinc/37/69/67/272376967.db2.gz PTDVYNBGDNIVOT-QWRGUYRKSA-N 1 0 306.366 1.732 20 5 DDBDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)c1c([N+](=O)[O-])cnn1C ZINC000347231566 272636739 /nfs/dbraw/zinc/63/67/39/272636739.db2.gz ROYRXYWWWGKZLH-GHMZBOCLSA-N 1 0 309.370 1.321 20 5 DDBDRO CC[C@H](C)[NH+]1CCN(c2c(C(N)=O)cccc2[N+](=O)[O-])CC1 ZINC000420623874 273744295 /nfs/dbraw/zinc/74/42/95/273744295.db2.gz FVWULJNVRINEGQ-NSHDSACASA-N 1 0 306.366 1.614 20 5 DDBDRO C[C@@H](O)C[NH+]1CCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000275744759 274271449 /nfs/dbraw/zinc/27/14/49/274271449.db2.gz CIJXRSIVSUPKLH-GFCCVEGCSA-N 1 0 316.361 1.646 20 5 DDBDRO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CC[NH2+]1 ZINC000155064610 274330472 /nfs/dbraw/zinc/33/04/72/274330472.db2.gz LTZQTTCYJISGTA-GFCCVEGCSA-N 1 0 318.377 1.629 20 5 DDBDRO CC[N@H+](C)CCNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000264892474 276070861 /nfs/dbraw/zinc/07/08/61/276070861.db2.gz KAAZGGWJJHKLIY-UHFFFAOYSA-N 1 0 320.393 1.877 20 5 DDBDRO C[C@@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000050163264 278360881 /nfs/dbraw/zinc/36/08/81/278360881.db2.gz MYQVJFSRCOCQFD-MNOVXSKESA-N 1 0 313.379 1.261 20 5 DDBDRO C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000293021109 278362127 /nfs/dbraw/zinc/36/21/27/278362127.db2.gz AJDRSOBPJVVJSL-ZANVPECISA-N 1 0 322.321 1.702 20 5 DDBDRO Cc1cc(N2CC(=O)N[C@H](C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000295723151 278706421 /nfs/dbraw/zinc/70/64/21/278706421.db2.gz LEWDGWWQBPPNMR-SNVBAGLBSA-N 1 0 300.318 1.776 20 5 DDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)C[C@H]1CCC[N@@H+]1C ZINC000420993406 279236215 /nfs/dbraw/zinc/23/62/15/279236215.db2.gz ATBYJVMNQOVPLL-IUODEOHRSA-N 1 0 320.393 1.948 20 5 DDBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000125963391 281221640 /nfs/dbraw/zinc/22/16/40/281221640.db2.gz HCUHFPIWISGYEL-SNVBAGLBSA-N 1 0 324.356 1.920 20 5 DDBDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000177491620 289298215 /nfs/dbraw/zinc/29/82/15/289298215.db2.gz ABDLFMNWNOACRU-TZMCWYRMSA-N 1 0 321.377 1.963 20 5 DDBDRO CCC[NH+]1CCC(N(C)C(=O)c2cc([N+](=O)[O-])nn2C)CC1 ZINC000356454105 298794982 /nfs/dbraw/zinc/79/49/82/298794982.db2.gz DLTLXBBIYUKINV-UHFFFAOYSA-N 1 0 309.370 1.275 20 5 DDBDRO COC(=O)C[C@]1([NH2+]CCOc2cccc([N+](=O)[O-])c2)CCOC1 ZINC000362276965 300042267 /nfs/dbraw/zinc/04/22/67/300042267.db2.gz DGICKLBTLCXYMN-OAHLLOKOSA-N 1 0 324.333 1.285 20 5 DDBDRO Cc1ccnc(C2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)n1 ZINC000363805850 300310082 /nfs/dbraw/zinc/31/00/82/300310082.db2.gz ZBJJDRLTQBXWBM-UHFFFAOYSA-N 1 0 316.365 1.769 20 5 DDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000364452439 300399084 /nfs/dbraw/zinc/39/90/84/300399084.db2.gz FFKIFNHVHFXAQD-NSHDSACASA-N 1 0 318.377 1.924 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000368595211 301061176 /nfs/dbraw/zinc/06/11/76/301061176.db2.gz SIERBSLNASWEIP-CHWSQXEVSA-N 1 0 321.381 1.042 20 5 DDBDRO Nc1ccc(C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1[N+](=O)[O-] ZINC000368611927 301063584 /nfs/dbraw/zinc/06/35/84/301063584.db2.gz JNAWVVSVMCUDSH-TUAOUCFPSA-N 1 0 304.350 1.376 20 5 DDBDRO CC[C@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)C[C@@]2(CCOC2)O1 ZINC000369546953 301196547 /nfs/dbraw/zinc/19/65/47/301196547.db2.gz RCXPJEHGLQOKPW-GXTWGEPZSA-N 1 0 310.354 1.061 20 5 DDBDRO COc1ccc(CC(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)cc1[N+](=O)[O-] ZINC000575398929 304726857 /nfs/dbraw/zinc/72/68/57/304726857.db2.gz FRRQNOFWUYOZFC-MNOVXSKESA-N 1 0 307.350 1.355 20 5 DDBDRO CS(=O)(=O)C1(C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000355425565 306799687 /nfs/dbraw/zinc/79/96/87/306799687.db2.gz VNEKCVNJTJSPPE-XQRVVYSFSA-N 1 0 310.375 1.775 20 5 DDBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)COc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000376360917 302068275 /nfs/dbraw/zinc/06/82/75/302068275.db2.gz QMCJOIUBSJAJCA-BYCMXARLSA-N 1 0 319.361 1.559 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCOC3(CCOCC3)CC2)c1 ZINC000377276722 302163616 /nfs/dbraw/zinc/16/36/16/302163616.db2.gz IIFYLFLEPSKFCN-UHFFFAOYSA-N 1 0 310.354 1.063 20 5 DDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000377481814 302184061 /nfs/dbraw/zinc/18/40/61/302184061.db2.gz OPIPQXOXQITNGV-HUUCEWRRSA-N 1 0 319.361 1.117 20 5 DDBDRO O=C1NC[C@@H]2CN(Cc3ccc(Cl)cc3[N+](=O)[O-])CC[C@@H]12 ZINC000377656188 302205730 /nfs/dbraw/zinc/20/57/30/302205730.db2.gz RCVKYVSHQWBVNC-ZYHUDNBSSA-N 1 0 309.753 1.816 20 5 DDBDRO Cc1nn(C)c(C(=O)N2CCCC23CC[NH+](C)CC3)c1[N+](=O)[O-] ZINC000378351657 302316408 /nfs/dbraw/zinc/31/64/08/302316408.db2.gz WZYLVSIAZGBENU-UHFFFAOYSA-N 1 0 321.381 1.337 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@H]1CCCOC1 ZINC000519564596 302841489 /nfs/dbraw/zinc/84/14/89/302841489.db2.gz ZQPCMMFFIXAYOB-CHWSQXEVSA-N 1 0 310.350 1.351 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000531366051 303242649 /nfs/dbraw/zinc/24/26/49/303242649.db2.gz HNKXJGAIPWGSTC-ZDUSSCGKSA-N 1 0 312.395 1.100 20 5 DDBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000531804459 303257765 /nfs/dbraw/zinc/25/77/65/303257765.db2.gz ZPGCKLGGYGKRCB-XHDPSFHLSA-N 1 0 318.377 1.877 20 5 DDBDRO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cn1)[N@@H+]1CCCC[C@@H]1C ZINC000532134479 303276220 /nfs/dbraw/zinc/27/62/20/303276220.db2.gz ZCMFMQXNBZBRBK-RYUDHWBXSA-N 1 0 306.366 1.983 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)NC[C@@H]2CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000533230221 303314337 /nfs/dbraw/zinc/31/43/37/303314337.db2.gz YNSCCJALPQTSGY-JTQLQIEISA-N 1 0 309.370 1.513 20 5 DDBDRO NC(=O)c1cccc([N+](=O)[O-])c1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000420589981 303347761 /nfs/dbraw/zinc/34/77/61/303347761.db2.gz UUCBADTZKPTJKQ-LBPRGKRZSA-N 1 0 318.377 1.758 20 5 DDBDRO CN1CCC[C@@H]([N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1=O ZINC000538712079 303389887 /nfs/dbraw/zinc/38/98/87/303389887.db2.gz PLRAFLFAFQYICM-DGCLKSJQSA-N 1 0 319.365 1.097 20 5 DDBDRO C[C@H]([NH2+]C[C@H]1CS(=O)(=O)CCO1)c1ccc([N+](=O)[O-])cc1 ZINC000358306745 306939139 /nfs/dbraw/zinc/93/91/39/306939139.db2.gz PXCPMHXRPKVUMB-GWCFXTLKSA-N 1 0 314.363 1.059 20 5 DDBDRO O=C(c1ccc([N+](=O)[O-])cn1)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000364978740 307055828 /nfs/dbraw/zinc/05/58/28/307055828.db2.gz IVFQZDURTNVURQ-YPMHNXCESA-N 1 0 304.350 1.594 20 5 DDBDRO CCn1cc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)cn1 ZINC000365117600 307059265 /nfs/dbraw/zinc/05/92/65/307059265.db2.gz QNQVLAFPNGXOLW-UHFFFAOYSA-N 1 0 304.354 1.845 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@H](c3nnc[nH]3)C2)c1 ZINC000366652337 307078785 /nfs/dbraw/zinc/07/87/85/307078785.db2.gz KMPDFEYWEMVKTL-GXTWGEPZSA-N 1 0 317.349 1.626 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000367075220 307084751 /nfs/dbraw/zinc/08/47/51/307084751.db2.gz SZKFUXDBSCDRJF-HNNXBMFYSA-N 1 0 307.350 1.259 20 5 DDBDRO O=C(NC1CC[NH+](Cc2ccsc2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000371664637 307155743 /nfs/dbraw/zinc/15/57/43/307155743.db2.gz WJSVTCAFOVYNQP-CHWSQXEVSA-N 1 0 309.391 1.494 20 5 DDBDRO O=C(NCCNc1ccccc1[N+](=O)[O-])[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000372499564 307168929 /nfs/dbraw/zinc/16/89/29/307168929.db2.gz BJGCUVSMWCGULR-XHDPSFHLSA-N 1 0 304.350 1.123 20 5 DDBDRO O=C(CCn1cc([N+](=O)[O-])cn1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000374434444 307208150 /nfs/dbraw/zinc/20/81/50/307208150.db2.gz AYNJSYSVPYPWSR-AWEZNQCLSA-N 1 0 321.381 1.172 20 5 DDBDRO O=C(/C=C\c1ccccc1[N+](=O)[O-])NC[C@@H]1C[NH2+]CCCO1 ZINC000390113438 307293384 /nfs/dbraw/zinc/29/33/84/307293384.db2.gz CNBDTCCHQAEMEO-FWWRYZNZSA-N 1 0 305.334 1.103 20 5 DDBDRO C[C@@]1(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCOC1 ZINC000517732488 307436140 /nfs/dbraw/zinc/43/61/40/307436140.db2.gz JMOQZTCGCZTDOA-DOMZBBRYSA-N 1 0 310.350 1.351 20 5 DDBDRO CC1CC[NH+](CC(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000531628848 307620627 /nfs/dbraw/zinc/62/06/27/307620627.db2.gz TWWRQFCLFWTTHC-UHFFFAOYSA-N 1 0 321.377 1.822 20 5 DDBDRO CNC(=O)C[C@H](C)[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000558167084 307890526 /nfs/dbraw/zinc/89/05/26/307890526.db2.gz PRCBSAUQWAHQKU-JTQLQIEISA-N 1 0 304.350 1.733 20 5 DDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC(CC[NH3+])CC1 ZINC000565096712 308019878 /nfs/dbraw/zinc/01/98/78/308019878.db2.gz XMVRGPLXWOTPDG-GFCCVEGCSA-N 1 0 320.393 1.983 20 5 DDBDRO COc1ccc(CC(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1[N+](=O)[O-] ZINC000567658420 308088027 /nfs/dbraw/zinc/08/80/27/308088027.db2.gz GJFQGGJRRRRTCY-BDJLRTHQSA-N 1 0 321.377 1.589 20 5 DDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CCCCCO)cc1 ZINC000570451732 308170047 /nfs/dbraw/zinc/17/00/47/308170047.db2.gz UNKZEQTWGSJJRF-UHFFFAOYSA-N 1 0 316.379 1.121 20 5 DDBDRO CSC[C@@H](O)C[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000572954371 308228445 /nfs/dbraw/zinc/22/84/45/308228445.db2.gz UWUZZRMKCHTGJQ-LBPRGKRZSA-N 1 0 309.391 1.932 20 5 DDBDRO C[NH2+]C[C@H]1CCCN(C(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000574320853 308267986 /nfs/dbraw/zinc/26/79/86/308267986.db2.gz JNBMQDYICCYCPL-CYBMUJFWSA-N 1 0 321.377 1.604 20 5 DDBDRO C[C@@H](O)C[C@H](C)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000576992241 308354728 /nfs/dbraw/zinc/35/47/28/308354728.db2.gz HNBQUBUWMUBQSS-WDEREUQCSA-N 1 0 316.379 1.118 20 5 DDBDRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)c1c[nH]nc1[N+](=O)[O-])c1ccco1 ZINC000578788956 308486331 /nfs/dbraw/zinc/48/63/31/308486331.db2.gz PHGHCSNBFKAFKK-KOLCDFICSA-N 1 0 321.337 1.770 20 5 DDBDRO C[C@H](NC(=O)NCC1CC[NH2+]CC1)c1ccccc1[N+](=O)[O-] ZINC000583430340 332403373 /nfs/dbraw/zinc/40/33/73/332403373.db2.gz JEQGDMYBTRHJDD-NSHDSACASA-N 1 0 306.366 1.955 20 5 DDBDRO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000582706658 337127053 /nfs/dbraw/zinc/12/70/53/337127053.db2.gz QUAGSZNPGUAKCI-TVQRCGJNSA-N 1 0 315.333 1.295 20 5 DDBDRO CC[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccncc1 ZINC000582778295 337153619 /nfs/dbraw/zinc/15/36/19/337153619.db2.gz PZTLDDIQPKLLLL-KBPBESRZSA-N 1 0 305.338 1.288 20 5 DDBDRO COCC(C)(C)C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000583258762 337292296 /nfs/dbraw/zinc/29/22/96/337292296.db2.gz SQEMSYWTUVHDHN-CYBMUJFWSA-N 1 0 312.366 1.597 20 5 DDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCC[NH2+]C(C)C ZINC000036299843 337352810 /nfs/dbraw/zinc/35/28/10/337352810.db2.gz GOWWLNIYACYWAL-UHFFFAOYSA-N 1 0 315.395 1.570 20 5 DDBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000584579705 337367836 /nfs/dbraw/zinc/36/78/36/337367836.db2.gz DNVOAZJBGAQQEH-TZMCWYRMSA-N 1 0 304.350 1.488 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1CN1CCC[C@]12CCNC2=O ZINC000583880299 337375690 /nfs/dbraw/zinc/37/56/90/337375690.db2.gz SWVUMNHCLKXIRK-OAHLLOKOSA-N 1 0 305.334 1.458 20 5 DDBDRO Cc1cc(NC(=O)Cn2ccc([N+](=O)[O-])n2)ccc1C[NH+](C)C ZINC000458296400 533954827 /nfs/dbraw/zinc/95/48/27/533954827.db2.gz XGFBVDANNXVMGY-UHFFFAOYSA-N 1 0 317.349 1.800 20 5 DDBDRO C[C@@H]1C[C@H](NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000447250488 533959436 /nfs/dbraw/zinc/95/94/36/533959436.db2.gz WJBIGQDMGXKJJW-ZYHUDNBSSA-N 1 0 313.379 1.155 20 5 DDBDRO C[C@@H](CNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000451927770 534069990 /nfs/dbraw/zinc/06/99/90/534069990.db2.gz JTEGTDITPRCCBI-NSHDSACASA-N 1 0 315.395 1.007 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000332631020 534340603 /nfs/dbraw/zinc/34/06/03/534340603.db2.gz DPJDROJSZVTDIR-RYUDHWBXSA-N 1 0 304.350 1.976 20 5 DDBDRO CC(C)[C@H]([NH3+])CCN(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000156726369 519817688 /nfs/dbraw/zinc/81/76/88/519817688.db2.gz JGLRDFNWXOCHNU-CYBMUJFWSA-N 1 0 315.395 1.589 20 5 DDBDRO NC(=O)c1ccc(C[N@@H+]2CC[C@@H](O)C23CCCC3)c([N+](=O)[O-])c1 ZINC000292587739 534481632 /nfs/dbraw/zinc/48/16/32/534481632.db2.gz CSOCDEPWPDQTHH-CQSZACIVSA-N 1 0 319.361 1.573 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000292834266 534627659 /nfs/dbraw/zinc/62/76/59/534627659.db2.gz BSQJNIRPVKXCQA-BXUZGUMPSA-N 1 0 305.334 1.184 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000157291218 527312178 /nfs/dbraw/zinc/31/21/78/527312178.db2.gz RWEKLBAYMSAYKS-DOMZBBRYSA-N 1 0 318.377 1.855 20 5 DDBDRO CC1(C)[C@H]([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)[C@H]2CCCO[C@@H]21 ZINC000451475148 527870212 /nfs/dbraw/zinc/87/02/12/527870212.db2.gz BTTURNWTMUYMJM-YUELXQCFSA-N 1 0 321.377 1.550 20 5 DDBDRO CC(C)[C@@H]([NH3+])CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000422845068 528530298 /nfs/dbraw/zinc/53/02/98/528530298.db2.gz AWLYCHUQSJPDBV-LBPRGKRZSA-N 1 0 302.334 1.856 20 5 DDBDRO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000424024501 529130375 /nfs/dbraw/zinc/13/03/75/529130375.db2.gz AKJNNOBZJJSVAR-CQSZACIVSA-N 1 0 321.381 1.028 20 5 DDBDRO CN(c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])[C@@H]1CCC[N@H+](C)C1 ZINC000736859242 599119675 /nfs/dbraw/zinc/11/96/75/599119675.db2.gz XVELZNCXMDJXKQ-LLVKDONJSA-N 1 0 317.353 1.305 20 5 DDBDRO C[C@H]1CCC[N@@H+]1CCNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC000820717103 606713719 /nfs/dbraw/zinc/71/37/19/606713719.db2.gz NWDGKZDQGZWYJG-VIFPVBQESA-N 1 0 318.341 1.066 20 5 DDBDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1c1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000824860763 608196963 /nfs/dbraw/zinc/19/69/63/608196963.db2.gz XSOQJIDPFURYPR-VHSXEESVSA-N 1 0 317.353 1.304 20 5 DDBDRO CN(CC[NH+](C)C)c1ccc([N+](=O)[O-])cc1C(=O)NC1CC1 ZINC000747227007 700060708 /nfs/dbraw/zinc/06/07/08/700060708.db2.gz UJZRRTJDQRFTSR-UHFFFAOYSA-N 1 0 306.366 1.485 20 5 DDBDRO CC[N@H+](CCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(C)C ZINC000102481180 696610772 /nfs/dbraw/zinc/61/07/72/696610772.db2.gz URTAIDKUQYNRJR-UHFFFAOYSA-N 1 0 324.337 1.963 20 5 DDBDRO CCC[C@H]1CN(Cn2cc([N+](=O)[O-])cn2)CC[N@@H+]1CCOC ZINC000159791557 697312339 /nfs/dbraw/zinc/31/23/39/697312339.db2.gz NZUSGTMLNJSVBV-ZDUSSCGKSA-N 1 0 311.386 1.182 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@@H](C[NH3+])C1CC1 ZINC000159930236 697313383 /nfs/dbraw/zinc/31/33/83/697313383.db2.gz JGWGTZWIKXDTKO-LBPRGKRZSA-N 1 0 313.379 1.261 20 5 DDBDRO CCC([NH3+])(CC)CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000160467282 697317814 /nfs/dbraw/zinc/31/78/14/697317814.db2.gz RXNBCMQGHLYKKK-UHFFFAOYSA-N 1 0 310.310 1.750 20 5 DDBDRO C[C@H]([NH2+]CC(=O)N1CCO[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000180442050 697448827 /nfs/dbraw/zinc/44/88/27/697448827.db2.gz DXPITZARENTOPK-RYUDHWBXSA-N 1 0 307.350 1.493 20 5 DDBDRO Cc1nocc1C[N@@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000985431710 697510149 /nfs/dbraw/zinc/51/01/49/697510149.db2.gz SGJWIIJBAYPTAU-ZIAGYGMSSA-N 1 0 322.365 1.071 20 5 DDBDRO C[NH+]1CCC(ONC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000773548541 697777565 /nfs/dbraw/zinc/77/75/65/697777565.db2.gz YMJMKDZOGGEMTM-UHFFFAOYSA-N 1 0 324.293 1.259 20 5 DDBDRO COC[C@@]1(CNC(=O)Nc2cccc([N+](=O)[O-])c2)CCC[NH2+]1 ZINC000262429638 698469189 /nfs/dbraw/zinc/46/91/89/698469189.db2.gz FROPJXIIKYHKDA-AWEZNQCLSA-N 1 0 308.338 1.485 20 5 DDBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=S)NCCC[NH+](C)C ZINC000800828145 700247447 /nfs/dbraw/zinc/24/74/47/700247447.db2.gz KIUNVSLZVPKWIY-UHFFFAOYSA-N 1 0 324.450 1.895 20 5 DDBDRO CC(C)CC(=O)N1CCC([NH2+]Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000989872165 698811404 /nfs/dbraw/zinc/81/14/04/698811404.db2.gz DRRNAZBOGKRKRZ-UHFFFAOYSA-N 1 0 323.397 1.455 20 5 DDBDRO C[C@H]1CC[C@H](C)[NH+]1CC(=O)OCCn1cc([N+](=O)[O-])ccc1=O ZINC000785728511 699095929 /nfs/dbraw/zinc/09/59/29/699095929.db2.gz IDNPGBUMOUGYRG-RYUDHWBXSA-N 1 0 323.349 1.173 20 5 DDBDRO [NH3+]C[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(F)(F)F ZINC000700608480 699221863 /nfs/dbraw/zinc/22/18/63/699221863.db2.gz ITLSICLVLUYHNV-MRVPVSSYSA-N 1 0 311.647 1.868 20 5 DDBDRO C[C@@H](CN1CCOCC1)[N@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000789334031 699378033 /nfs/dbraw/zinc/37/80/33/699378033.db2.gz FUTRFFVAIWCMTP-BBRMVZONSA-N 1 0 323.393 1.281 20 5 DDBDRO C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000741720101 699849091 /nfs/dbraw/zinc/84/90/91/699849091.db2.gz DZIJVNBNCURBSR-GXSJLCMTSA-N 1 0 322.321 1.716 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000742058397 699858836 /nfs/dbraw/zinc/85/88/36/699858836.db2.gz BDMDYHXZBOONGU-QWHCGFSZSA-N 1 0 319.361 1.496 20 5 DDBDRO C[NH+](C)Cc1ccc(NC(=O)Cn2cc([N+](=O)[O-])cn2)cc1F ZINC000754870181 700534618 /nfs/dbraw/zinc/53/46/18/700534618.db2.gz AMRDVOLSHXZBMM-UHFFFAOYSA-N 1 0 321.312 1.631 20 5 DDBDRO Cc1c(NC(=O)[C@@H](C)N2CC[N@H+](C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000761076319 700840356 /nfs/dbraw/zinc/84/03/56/700840356.db2.gz NRRLOSOLCXRHFT-DGCLKSJQSA-N 1 0 320.393 1.866 20 5 DDBDRO C[C@@H]([NH2+][C@@H](CCO)C1CC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000763061422 700923081 /nfs/dbraw/zinc/92/30/81/700923081.db2.gz XSAUBWGVUXZJEO-YGRLFVJLSA-N 1 0 307.350 1.672 20 5 DDBDRO Cc1c(NC(=O)CC[NH2+][C@@H](CO)C2CC2)cccc1[N+](=O)[O-] ZINC000763089597 700925085 /nfs/dbraw/zinc/92/50/85/700925085.db2.gz YVPZFSRMRCMYHO-ZDUSSCGKSA-N 1 0 307.350 1.592 20 5 DDBDRO C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000809732648 701683577 /nfs/dbraw/zinc/68/35/77/701683577.db2.gz INMLHECDSNINDW-RLCCDNCMSA-N 1 0 305.378 1.701 20 5 DDBDRO COC(=O)[C@@]1(C)C[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000879133289 706595866 /nfs/dbraw/zinc/59/58/66/706595866.db2.gz CVQMMJVAEOFLSY-PEYYIBSZSA-N 1 0 322.361 1.759 20 5 DDBDRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000807924596 701491470 /nfs/dbraw/zinc/49/14/70/701491470.db2.gz OKFRENXALCAFMN-VXGBXAGGSA-N 1 0 310.329 1.529 20 5 DDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CC[NH+](CCCCO)CC1 ZINC000807986385 701493286 /nfs/dbraw/zinc/49/32/86/701493286.db2.gz WUSXEOKBGAOFTR-UHFFFAOYSA-N 1 0 311.386 1.014 20 5 DDBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C[C@H](O)C[N@@H+](C)C1CC1)CC2 ZINC000809970535 701707705 /nfs/dbraw/zinc/70/77/05/701707705.db2.gz CBKZUOAUHXFUFF-CQSZACIVSA-N 1 0 305.378 1.721 20 5 DDBDRO CN(C)C(=O)[C@@H]1CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000839636458 701761397 /nfs/dbraw/zinc/76/13/97/701761397.db2.gz SJTBTCKHEMACLK-OCCSQVGLSA-N 1 0 307.350 1.038 20 5 DDBDRO O=C1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)CCCCCCN1 ZINC000879254424 706630101 /nfs/dbraw/zinc/63/01/01/706630101.db2.gz ZZXUQMGHMUTAEC-UHFFFAOYSA-N 1 0 309.370 1.174 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(Cn3ncc4ccc([N+](=O)[O-])cc43)C[C@@H]21 ZINC000840133829 701989478 /nfs/dbraw/zinc/98/94/78/701989478.db2.gz UHRIWYQOIAGHOC-DOMZBBRYSA-N 1 0 301.350 1.538 20 5 DDBDRO COC(=O)[C@H]1CN(c2cccc(F)c2[N+](=O)[O-])CC[N@H+](C)C1 ZINC000840357418 702082240 /nfs/dbraw/zinc/08/22/40/702082240.db2.gz DSRUGQIBLKGFCK-SNVBAGLBSA-N 1 0 311.313 1.275 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CC[C@](O)(C(F)F)C2)cc1 ZINC000831175543 706650621 /nfs/dbraw/zinc/65/06/21/706650621.db2.gz LMYQXBGVAGAOLT-DGCLKSJQSA-N 1 0 302.277 1.330 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CC[C@H](n3cccn3)C2)cc1 ZINC000812876675 702256722 /nfs/dbraw/zinc/25/67/22/702256722.db2.gz OGRVMWVDKNDWRN-LSDHHAIUSA-N 1 0 302.334 1.772 20 5 DDBDRO COC1([C@@H](C)[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000817295941 702333650 /nfs/dbraw/zinc/33/36/50/702333650.db2.gz ADRKGGAIOWYJSS-DOMZBBRYSA-N 1 0 324.377 1.802 20 5 DDBDRO COC[C@@](C)(O)C[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866266207 706661210 /nfs/dbraw/zinc/66/12/10/706661210.db2.gz XXFMIJSHPHTMFJ-HZMBPMFUSA-N 1 0 300.330 1.652 20 5 DDBDRO Cc1c(CO)cc([N+](=O)[O-])c(NCC2([NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000842047002 702663524 /nfs/dbraw/zinc/66/35/24/702663524.db2.gz JDTZQASQLRIHRJ-UHFFFAOYSA-N 1 0 324.337 1.810 20 5 DDBDRO CC(C)[N@@H+]1CCC[C@@H](COC(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000842829380 702781112 /nfs/dbraw/zinc/78/11/12/702781112.db2.gz HNSAFYVJSPCOQQ-LLVKDONJSA-N 1 0 310.354 1.606 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@@H](CO)c2ccccc2)c1 ZINC000843078440 702814678 /nfs/dbraw/zinc/81/46/78/702814678.db2.gz YVAHCRCCJQFBHK-RDJZCZTQSA-N 1 0 316.357 1.994 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@H](CO)c2cccnc2)c1 ZINC000843083491 702815483 /nfs/dbraw/zinc/81/54/83/702815483.db2.gz PKACGWLCIMALGS-ZBFHGGJFSA-N 1 0 317.345 1.389 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@@H]2CCCCN2CCO)cc1 ZINC000843091207 702817364 /nfs/dbraw/zinc/81/73/64/702817364.db2.gz AJAIEGNGVUMJEQ-JKSUJKDBSA-N 1 0 323.393 1.065 20 5 DDBDRO Cc1c(Cc2noc([C@@H]3C[NH2+]CCO3)n2)cccc1[N+](=O)[O-] ZINC000843191319 702837998 /nfs/dbraw/zinc/83/79/98/702837998.db2.gz DFFTWRZDZFSHPE-LBPRGKRZSA-N 1 0 304.306 1.538 20 5 DDBDRO COc1cc(Cc2noc(CCC[NH3+])n2)c([N+](=O)[O-])c(OC)c1 ZINC000843226224 702846161 /nfs/dbraw/zinc/84/61/61/702846161.db2.gz WRDURYNOFUYUSS-UHFFFAOYSA-N 1 0 322.321 1.477 20 5 DDBDRO C[NH2+][C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)C1 ZINC000843293546 702855320 /nfs/dbraw/zinc/85/53/20/702855320.db2.gz JFCOLIDVBJTHOM-SNVBAGLBSA-N 1 0 308.294 1.245 20 5 DDBDRO [NH3+]C[C@@H]1CCN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000843346333 702863714 /nfs/dbraw/zinc/86/37/14/702863714.db2.gz AMTNMZIABSPGAS-VIFPVBQESA-N 1 0 312.757 1.467 20 5 DDBDRO CCCN(C(=O)c1ccc(N)c([N+](=O)[O-])c1)[C@H]1CC[N@H+](C)C1 ZINC000843992219 702950285 /nfs/dbraw/zinc/95/02/85/702950285.db2.gz BEAPHMVULYXMGV-LBPRGKRZSA-N 1 0 306.366 1.733 20 5 DDBDRO CC1(C)C[C@H](O)C[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000879622168 706741952 /nfs/dbraw/zinc/74/19/52/706741952.db2.gz IHNSPQZQNGNIAU-QWHCGFSZSA-N 1 0 324.377 1.427 20 5 DDBDRO O=[N+]([O-])c1ccc(Cl)cc1CN1CCC([NH2+]CCO)CC1 ZINC000866681550 706763222 /nfs/dbraw/zinc/76/32/22/706763222.db2.gz BAGNCWRPGIQXIF-UHFFFAOYSA-N 1 0 313.785 1.795 20 5 DDBDRO COC[C@H](C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1)OC ZINC000851714167 703835376 /nfs/dbraw/zinc/83/53/76/703835376.db2.gz FTKLSCUBPRXRJK-HNNXBMFYSA-N 1 0 309.366 1.378 20 5 DDBDRO Cc1c(C(=O)NC(C)(C)CC[NH3+])cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000818613382 703941782 /nfs/dbraw/zinc/94/17/82/703941782.db2.gz NEJLMFONSDGDAP-UHFFFAOYSA-N 1 0 324.337 1.977 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@@H]2CCN(CC3CC3)C2)cc1 ZINC000819039576 704056569 /nfs/dbraw/zinc/05/65/69/704056569.db2.gz RWDVJMDVCPPHRG-ZBFHGGJFSA-N 1 0 305.378 1.702 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C/C=C\c2ccccc2)c1 ZINC000819061980 704063508 /nfs/dbraw/zinc/06/35/08/704063508.db2.gz ZKHNITIHPAKLPW-IJVDHGTGSA-N 1 0 302.334 1.455 20 5 DDBDRO O=[N+]([O-])c1ccccc1CC[NH2+]C[C@H](O)c1ccc(F)cn1 ZINC000819110577 704071094 /nfs/dbraw/zinc/07/10/94/704071094.db2.gz DTSYFYYJWVPNSI-HNNXBMFYSA-N 1 0 305.309 1.995 20 5 DDBDRO CC(C)OC(=O)[C@H](C)C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819116717 704071832 /nfs/dbraw/zinc/07/18/32/704071832.db2.gz XYMXENNFQIHFLM-BXUZGUMPSA-N 1 0 310.350 1.806 20 5 DDBDRO CC1(CC[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])OCCO1 ZINC000819230729 704091068 /nfs/dbraw/zinc/09/10/68/704091068.db2.gz YAXOAKXEPPKQOF-UHFFFAOYSA-N 1 0 323.349 1.666 20 5 DDBDRO O=C1[C@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H]2CCCCN12 ZINC000819359056 704112824 /nfs/dbraw/zinc/11/28/24/704112824.db2.gz SSAQMTYEPHMMDG-CFVMTHIKSA-N 1 0 319.361 1.371 20 5 DDBDRO COC(=O)NC1CC[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000852767037 704119138 /nfs/dbraw/zinc/11/91/38/704119138.db2.gz IVHPMCNHRTWWPD-AWEZNQCLSA-N 1 0 323.349 1.449 20 5 DDBDRO Cc1nn(C[N@@H+]2CC[C@H]3COC[C@@H]3C2)c2ncc([N+](=O)[O-])cc12 ZINC000853587165 704276875 /nfs/dbraw/zinc/27/68/75/704276875.db2.gz FZHUKHOJHPWXHH-RYUDHWBXSA-N 1 0 317.349 1.574 20 5 DDBDRO COC(=O)N(C)CCNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000853873657 704329014 /nfs/dbraw/zinc/32/90/14/704329014.db2.gz FNMGSABOFMISGK-UHFFFAOYSA-N 1 0 318.333 1.983 20 5 DDBDRO [NH3+][C@H]1C[C@H](c2nc(CCNc3ccccc3[N+](=O)[O-])no2)C1 ZINC000854139502 704360470 /nfs/dbraw/zinc/36/04/70/704360470.db2.gz CDJUIKLXBXPTCG-MGCOHNPYSA-N 1 0 303.322 1.837 20 5 DDBDRO C[C@@H]1CN(C(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)C[C@H]1[NH3+] ZINC000857767079 704622819 /nfs/dbraw/zinc/62/28/19/704622819.db2.gz YUXZOMKPZQPQDJ-LDYMZIIASA-N 1 0 315.276 1.372 20 5 DDBDRO CON(C)C(=O)[C@H](C)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000858579951 704729635 /nfs/dbraw/zinc/72/96/35/704729635.db2.gz IXYBCYBQQSBNKT-IINYFYTJSA-N 1 0 307.350 1.970 20 5 DDBDRO CCN(CC[NH3+])S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000858619618 704735698 /nfs/dbraw/zinc/73/56/98/704735698.db2.gz RJWPVCHYKLKBAD-UHFFFAOYSA-N 1 0 321.786 1.526 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(Cc2noc(CC3(C[NH3+])CC3)n2)c1 ZINC000823088483 705136156 /nfs/dbraw/zinc/13/61/56/705136156.db2.gz KPGBKPKWHXLGQB-UHFFFAOYSA-N 1 0 318.333 1.859 20 5 DDBDRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000874834295 705192340 /nfs/dbraw/zinc/19/23/40/705192340.db2.gz QWBCFIGOYMITMK-UONOGXRCSA-N 1 0 304.350 1.486 20 5 DDBDRO CCc1n[nH]c(C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3C)c1[N+](=O)[O-] ZINC000874842035 705196596 /nfs/dbraw/zinc/19/65/96/705196596.db2.gz ZNFYMKGSWSYDER-GHMZBOCLSA-N 1 0 307.354 1.189 20 5 DDBDRO CC[NH+](CC)CCCNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000823591051 705275073 /nfs/dbraw/zinc/27/50/73/705275073.db2.gz KXJPYVHPLKTWTD-CQSZACIVSA-N 1 0 309.366 1.476 20 5 DDBDRO CC[N@@H+]1CCN(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)C[C@H]1C ZINC000823975091 705348216 /nfs/dbraw/zinc/34/82/16/705348216.db2.gz ZTUHSIBGFWBXCX-SNVBAGLBSA-N 1 0 307.354 1.735 20 5 DDBDRO CO[C@H]1C[N@H+](C)[C@@](C)(COC(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000861352435 705441289 /nfs/dbraw/zinc/44/12/89/705441289.db2.gz JDISQSIEPGTBPT-BXUZGUMPSA-N 1 0 302.371 1.474 20 5 DDBDRO C[N@H+]1C[C@H]2CN(C(=O)NCCc3cccc([N+](=O)[O-])c3)C[C@H]2C1 ZINC000893877379 710870998 /nfs/dbraw/zinc/87/09/98/710870998.db2.gz VWLHGKYBDLIYBU-OKILXGFUSA-N 1 0 318.377 1.340 20 5 DDBDRO C[C@H]([NH3+])CN(C)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000861620316 705522730 /nfs/dbraw/zinc/52/27/30/705522730.db2.gz WGJUKPVLMNBFPS-VIFPVBQESA-N 1 0 314.773 1.779 20 5 DDBDRO CN(C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000825844528 705736144 /nfs/dbraw/zinc/73/61/44/705736144.db2.gz MCYCXIWNSHGNLL-CABCVRRESA-N 1 0 319.361 1.323 20 5 DDBDRO C[N@@H+]1CCCC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000862793314 705799795 /nfs/dbraw/zinc/79/97/95/705799795.db2.gz MONQSOJZCPMAPL-LLVKDONJSA-N 1 0 306.366 1.639 20 5 DDBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876658485 705806401 /nfs/dbraw/zinc/80/64/01/705806401.db2.gz XKCJSPNVUVRWDQ-GWCFXTLKSA-N 1 0 311.313 1.037 20 5 DDBDRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1c1ccc([N+](=O)[O-])cc1F ZINC000826677103 705843168 /nfs/dbraw/zinc/84/31/68/705843168.db2.gz IROUMKXSQYYWQK-JTQLQIEISA-N 1 0 310.329 1.290 20 5 DDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]CCOCC(F)(F)F)C2)c1 ZINC000876909502 705919174 /nfs/dbraw/zinc/91/91/74/705919174.db2.gz AGYHXYKBFNTXGG-UHFFFAOYSA-N 1 0 308.260 1.663 20 5 DDBDRO C[N@@H+]1CC[C@H]2CN(C(=O)c3cc(F)ccc3[N+](=O)[O-])CC[C@H]21 ZINC000827331138 705977605 /nfs/dbraw/zinc/97/76/05/705977605.db2.gz WSHUUTLNZSDACW-GXFFZTMASA-N 1 0 307.325 1.900 20 5 DDBDRO CNc1ccc(C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000827366714 705986472 /nfs/dbraw/zinc/98/64/72/705986472.db2.gz OHOYIEYVMKANON-TZMCWYRMSA-N 1 0 318.377 1.803 20 5 DDBDRO C[C@H](CC[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)[S@](C)=O ZINC000877161466 706002493 /nfs/dbraw/zinc/00/24/93/706002493.db2.gz MAKXUKYZLBULOX-FQSCOZGLSA-N 1 0 300.384 1.242 20 5 DDBDRO C[NH+](C)CCOc1cc(NC(=O)CCC(C)(C)[N+](=O)[O-])ccn1 ZINC000827515936 706017922 /nfs/dbraw/zinc/01/79/22/706017922.db2.gz KJUOTZLNOMHIFR-UHFFFAOYSA-N 1 0 324.381 1.796 20 5 DDBDRO COc1ccc(CC(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)cc1[N+](=O)[O-] ZINC000877279689 706046688 /nfs/dbraw/zinc/04/66/88/706046688.db2.gz FAAGZKFYPLOWSV-CHWSQXEVSA-N 1 0 319.361 1.499 20 5 DDBDRO O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)c1ccc([N+](=O)[O-])o1 ZINC000877345780 706073974 /nfs/dbraw/zinc/07/39/74/706073974.db2.gz BWAPPVARXRNUAR-LBPRGKRZSA-N 1 0 301.302 1.632 20 5 DDBDRO CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)N1CC([NH+](C)C)C1 ZINC000828012174 706103421 /nfs/dbraw/zinc/10/34/21/706103421.db2.gz IVXCAMAKGGIWDC-UHFFFAOYSA-N 1 0 324.312 1.078 20 5 DDBDRO CC(C)(O)CN1CC[C@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000872218977 707334260 /nfs/dbraw/zinc/33/42/60/707334260.db2.gz UISLHFGTCISWFC-DZGCQCFKSA-N 1 0 323.393 1.063 20 5 DDBDRO COC(=O)[C@@H]1C[C@@H](O)C[N@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000877608178 706158218 /nfs/dbraw/zinc/15/82/18/706158218.db2.gz ODRSQNPIKDUHAW-CHWSQXEVSA-N 1 0 322.361 1.567 20 5 DDBDRO CC1([NH+]2CCC2)CCN(C(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000879072680 706579922 /nfs/dbraw/zinc/57/99/22/706579922.db2.gz FLKNTNNUTKGTSO-UHFFFAOYSA-N 1 0 319.365 1.504 20 5 DDBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000832845619 706996009 /nfs/dbraw/zinc/99/60/09/706996009.db2.gz PCUXPUDCXYGGFE-WFASDCNBSA-N 1 0 323.393 1.865 20 5 DDBDRO CC(C)C[C@@H](C(N)=O)[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000880587590 707029016 /nfs/dbraw/zinc/02/90/16/707029016.db2.gz HXMJFPZWTZJSBX-ZDUSSCGKSA-N 1 0 309.366 1.805 20 5 DDBDRO C[C@H]([NH3+])[C@H]1CN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CCO1 ZINC000834316674 707029250 /nfs/dbraw/zinc/02/92/50/707029250.db2.gz JYRZZLSRKLUXMU-GZMMTYOYSA-N 1 0 313.741 1.436 20 5 DDBDRO CCO[C@@H](CN[C@H](C)c1ccc(N)c([N+](=O)[O-])c1)C[NH+](C)C ZINC000926964187 712923264 /nfs/dbraw/zinc/92/32/64/712923264.db2.gz WKIYALGJDGAGJN-YPMHNXCESA-N 1 0 310.398 1.794 20 5 DDBDRO C[C@H]([NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000926945162 712921841 /nfs/dbraw/zinc/92/18/41/712921841.db2.gz UYNPOJBDDKJHMG-LIBKGXAOSA-N 1 0 307.350 1.632 20 5 DDBDRO C[C@@H](CCCC[NH3+])NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000834791398 707119355 /nfs/dbraw/zinc/11/93/55/707119355.db2.gz IRHNBFSPCHIYGU-NSHDSACASA-N 1 0 319.365 1.578 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872148338 707302258 /nfs/dbraw/zinc/30/22/58/707302258.db2.gz BUJZGXUUCGQPGG-BLLLJJGKSA-N 1 0 318.377 1.383 20 5 DDBDRO COC(C)(C)CC[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000872226631 707337901 /nfs/dbraw/zinc/33/79/01/707337901.db2.gz QQFIPLJBLQOPPR-CYBMUJFWSA-N 1 0 312.366 1.739 20 5 DDBDRO CC1(C)CO[C@H](C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000872243226 707345613 /nfs/dbraw/zinc/34/56/13/707345613.db2.gz LOOLICXTEWCCHI-HIFRSBDPSA-N 1 0 324.377 1.739 20 5 DDBDRO CC(C)[N@@H+]1CCCC[C@H]1COC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000837445771 707650083 /nfs/dbraw/zinc/65/00/83/707650083.db2.gz GHHMUSAUABOYMT-LBPRGKRZSA-N 1 0 310.354 1.597 20 5 DDBDRO C/C=C/C[C@@H](CO)[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000883090110 707922475 /nfs/dbraw/zinc/92/24/75/707922475.db2.gz CGNSGSZXCHETKL-JDGPPOGSSA-N 1 0 308.334 1.783 20 5 DDBDRO C[C@@H]1COC[C@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000896732388 708135060 /nfs/dbraw/zinc/13/50/60/708135060.db2.gz GNNSZTJDWRPHPQ-BXUZGUMPSA-N 1 0 306.366 1.583 20 5 DDBDRO C[C@@H](C[NH2+]C1CC(S(C)(=O)=O)C1)c1ccccc1[N+](=O)[O-] ZINC000897459946 708338296 /nfs/dbraw/zinc/33/82/96/708338296.db2.gz PPECSSOMQWQFDR-UNXYVOJBSA-N 1 0 312.391 1.864 20 5 DDBDRO CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000886593528 708785750 /nfs/dbraw/zinc/78/57/50/708785750.db2.gz SPGWJKXLOOJURP-CYBMUJFWSA-N 1 0 323.397 1.370 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC([NH+]2CCCC2)C1 ZINC000898614760 708813152 /nfs/dbraw/zinc/81/31/52/708813152.db2.gz STTXBYJKKYGUHX-UHFFFAOYSA-N 1 0 305.334 1.524 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@](CO)(C(F)(F)F)C1 ZINC000886813631 708851012 /nfs/dbraw/zinc/85/10/12/708851012.db2.gz QREWFXOKTHSEIB-NSHDSACASA-N 1 0 322.287 1.346 20 5 DDBDRO CCN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@@H]1CC[NH2+]C1 ZINC000886854258 708865029 /nfs/dbraw/zinc/86/50/29/708865029.db2.gz HCXFMIBVJGUANI-CQSZACIVSA-N 1 0 320.393 1.916 20 5 DDBDRO C[N@@H+](CCc1ccc2c(c1)OCO2)CCn1cc([N+](=O)[O-])cn1 ZINC000887095361 708953987 /nfs/dbraw/zinc/95/39/87/708953987.db2.gz JGKPMDJHMBMKSU-UHFFFAOYSA-N 1 0 318.333 1.695 20 5 DDBDRO Cc1sc(C(=O)N2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)cc1[N+](=O)[O-] ZINC000887936737 709172339 /nfs/dbraw/zinc/17/23/39/709172339.db2.gz VTTZXKGUIDPKKJ-YGRLFVJLSA-N 1 0 309.391 1.988 20 5 DDBDRO O=C(Cc1cccc(F)c1[N+](=O)[O-])N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912901524 713117984 /nfs/dbraw/zinc/11/79/84/713117984.db2.gz DZBAJCSYGKLFGW-GFCCVEGCSA-N 1 0 307.325 1.583 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)NCC[N@@H+]2CCC(C)(C)C2)n1 ZINC000890072220 709733507 /nfs/dbraw/zinc/73/35/07/709733507.db2.gz KCAOGCOIUVXVHD-UHFFFAOYSA-N 1 0 309.370 1.273 20 5 DDBDRO CC[N@@H+]1CCCN(C(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000910279573 709861491 /nfs/dbraw/zinc/86/14/91/709861491.db2.gz BPCCTTVZPLDKQV-NSHDSACASA-N 1 0 323.397 1.998 20 5 DDBDRO C[NH+](C)C[C@@H](O)CNc1c2cccc(Cl)c2ncc1[N+](=O)[O-] ZINC000891746320 710283047 /nfs/dbraw/zinc/28/30/47/710283047.db2.gz SNHLBKITKKAARP-VIFPVBQESA-N 1 0 324.768 1.553 20 5 DDBDRO Cc1ccc(CNC(=O)N2CC[NH2+][C@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000892537244 710454201 /nfs/dbraw/zinc/45/42/01/710454201.db2.gz QGMSIZZBLVEYDN-VXGBXAGGSA-N 1 0 306.366 1.795 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@H]2CCC3(C[C@H]2F)OCCO3)c1 ZINC000893133128 710559804 /nfs/dbraw/zinc/55/98/04/710559804.db2.gz AZIJIQOHVFYNHM-NEPJUHHUSA-N 1 0 314.317 1.015 20 5 DDBDRO C[C@H]1[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1C ZINC000928440065 713196952 /nfs/dbraw/zinc/19/69/52/713196952.db2.gz AMGROLIEJPFZIE-ZANVPECISA-N 1 0 311.769 2.000 20 5 DDBDRO C[NH+](C)C1(C)CCN(C(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000913398735 713208390 /nfs/dbraw/zinc/20/83/90/713208390.db2.gz OJEPKXVFUDYQGC-UHFFFAOYSA-N 1 0 320.393 1.949 20 5 DDBDRO CN(CC[N@H+](C)CCO)c1cccc(C(F)(F)F)c1[N+](=O)[O-] ZINC000894590743 711198398 /nfs/dbraw/zinc/19/83/98/711198398.db2.gz HAVDIDOTLJEKSY-UHFFFAOYSA-N 1 0 321.299 1.974 20 5 DDBDRO COCC[C@@H]1C[NH2+]CCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000903835965 711296788 /nfs/dbraw/zinc/29/67/88/711296788.db2.gz BLWKHKGLISDLHF-CQSZACIVSA-N 1 0 309.366 1.284 20 5 DDBDRO COC(=O)[C@]1(O)CC[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000895703737 711582591 /nfs/dbraw/zinc/58/25/91/711582591.db2.gz ONLYQPWFAWEBAX-RCLKMUNOSA-N 1 0 320.345 1.608 20 5 DDBDRO COC[C@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)[C@H]1CCCOC1 ZINC000895859343 711627729 /nfs/dbraw/zinc/62/77/29/711627729.db2.gz PWLXCWOVHALEOZ-CLTVBZQCSA-N 1 0 324.381 1.526 20 5 DDBDRO Cc1cc(C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCN2C)cc([N+](=O)[O-])c1 ZINC000896568495 711754729 /nfs/dbraw/zinc/75/47/29/711754729.db2.gz NLSJDHOVGYFGJI-WFASDCNBSA-N 1 0 320.393 1.267 20 5 DDBDRO CCO[C@@H](CNC[C@@H](O)c1ccc([N+](=O)[O-])cc1)C[NH+](C)C ZINC000905581903 712085598 /nfs/dbraw/zinc/08/55/98/712085598.db2.gz ZPCMKYYWNGWQMR-LSDHHAIUSA-N 1 0 311.382 1.185 20 5 DDBDRO C[C@@H](C[NH2+]C[C@@H](O)C1(O)CCCC1)c1ccccc1[N+](=O)[O-] ZINC000905645405 712105451 /nfs/dbraw/zinc/10/54/51/712105451.db2.gz YBSSZDVTUXFQAV-SWLSCSKDSA-N 1 0 308.378 1.954 20 5 DDBDRO C[C@@H]1COC[C@H]1[NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000905868333 712170612 /nfs/dbraw/zinc/17/06/12/712170612.db2.gz RPATVSWMOZZJEW-LERXQTSPSA-N 1 0 305.334 1.325 20 5 DDBDRO O=C([C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000906627899 712373676 /nfs/dbraw/zinc/37/36/76/712373676.db2.gz QRSFPTVYWHAYLK-RRCSTGOVSA-N 1 0 315.373 1.766 20 5 DDBDRO CCC[N@@H+]1CCC[C@H](C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000907066050 712478748 /nfs/dbraw/zinc/47/87/48/712478748.db2.gz SVJUWFDOOKEETD-LBPRGKRZSA-N 1 0 309.370 1.030 20 5 DDBDRO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CCN1c1cc[nH+]cc1 ZINC000915283394 713415384 /nfs/dbraw/zinc/41/53/84/713415384.db2.gz RPUQZWPINSZHNF-LLVKDONJSA-N 1 0 315.333 1.669 20 5 DDBDRO O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000918698147 713557310 /nfs/dbraw/zinc/55/73/10/713557310.db2.gz XQBANNQWTRXQPD-GFCCVEGCSA-N 1 0 322.365 1.296 20 5 DDBDRO C[C@H](O)[C@H](O)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000929750678 713682389 /nfs/dbraw/zinc/68/23/89/713682389.db2.gz WKNZCSMRERTLMF-XHDPSFHLSA-N 1 0 310.350 1.180 20 5 DDBDRO O=[N+]([O-])CC[NH+]1CCC(c2cc(-c3ccncc3)n[nH]2)CC1 ZINC000930903445 713954337 /nfs/dbraw/zinc/95/43/37/713954337.db2.gz LYCKOWAFYRACQS-UHFFFAOYSA-N 1 0 301.350 1.928 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[C@@H]([NH+](C)C)[C@@H]2C)c1 ZINC000931038714 713988245 /nfs/dbraw/zinc/98/82/45/713988245.db2.gz RYDILZWRALGNMK-SMDDNHRTSA-N 1 0 321.377 1.906 20 5 DDBDRO O=[N+]([O-])c1cccc(C[NH2+]CC2(O)CCC3(CC2)OCCO3)c1 ZINC000922622495 714103298 /nfs/dbraw/zinc/10/32/98/714103298.db2.gz KLLCUSAGBULGJA-UHFFFAOYSA-N 1 0 322.361 1.733 20 5 DDBDRO COCC[N@H+](C)CCNC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000931627343 714142068 /nfs/dbraw/zinc/14/20/68/714142068.db2.gz NVLMIROGUDLLCA-HUUCEWRRSA-N 1 0 321.377 1.393 20 5 DDBDRO C[C@@]1([C@H]2CCC[N@H+](Cc3cccnc3[N+](=O)[O-])C2)COC(=O)N1 ZINC000932016809 714235914 /nfs/dbraw/zinc/23/59/14/714235914.db2.gz PLDAUXNTJOCUFG-WFASDCNBSA-N 1 0 320.349 1.700 20 5 DDBDRO C[NH2+]C[C@@H]1CCCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000923294840 714300830 /nfs/dbraw/zinc/30/08/30/714300830.db2.gz ORGVQSHUSUQYLG-UONOGXRCSA-N 1 0 309.366 1.018 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000923311944 714307620 /nfs/dbraw/zinc/30/76/20/714307620.db2.gz CHSSYZCQOOIWAV-GXTWGEPZSA-N 1 0 319.361 1.669 20 5 DDBDRO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000923370496 714331185 /nfs/dbraw/zinc/33/11/85/714331185.db2.gz PHLSTBNHCOKJCQ-NCZKRNLISA-N 1 0 323.393 1.311 20 5 DDBDRO C[C@H]1COC[C@@H]1[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000932493414 714345616 /nfs/dbraw/zinc/34/56/16/714345616.db2.gz FYFRRPOIRYJCHB-GWCFXTLKSA-N 1 0 305.334 1.108 20 5 DDBDRO Cc1c(NC(=O)CC[NH2+][C@@H]2COC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000932494107 714346057 /nfs/dbraw/zinc/34/60/57/714346057.db2.gz ILMOHMRCBQMUJO-GXFFZTMASA-N 1 0 307.350 1.856 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H]1COC[C@@H]1C ZINC000932495194 714346578 /nfs/dbraw/zinc/34/65/78/714346578.db2.gz VWDBQJPFLAFNPR-FZMZJTMJSA-N 1 0 307.350 1.856 20 5 DDBDRO Cc1cc(F)ccc1[C@H](C)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000932563170 714359953 /nfs/dbraw/zinc/35/99/53/714359953.db2.gz APTWPXOJXILUSC-SMDDNHRTSA-N 1 0 322.340 1.951 20 5 DDBDRO CC(C)(CCc1noc([C@H]2C[N@@H+]3CCC[C@H]3CO2)n1)[N+](=O)[O-] ZINC000924079310 714522227 /nfs/dbraw/zinc/52/22/27/714522227.db2.gz UPRLWAYAHFVBOW-WDEREUQCSA-N 1 0 310.354 1.593 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CN1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933734332 714658363 /nfs/dbraw/zinc/65/83/63/714658363.db2.gz OATGXUPMTANCDT-XJKSGUPXSA-N 1 0 305.378 1.987 20 5 DDBDRO Cc1ccc([C@H](C)N2C(=O)N[C@@H](C[NH+](C)C)C2=O)cc1[N+](=O)[O-] ZINC000924795667 714665968 /nfs/dbraw/zinc/66/59/68/714665968.db2.gz YLSIEAWDXAECII-JQWIXIFHSA-N 1 0 320.349 1.446 20 5 DDBDRO O=[N+]([O-])c1ccc(F)cc1CN1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000934260299 714778171 /nfs/dbraw/zinc/77/81/71/714778171.db2.gz WDBIAULKMYMJLT-JKSUJKDBSA-N 1 0 323.368 1.765 20 5 DDBDRO O=[N+]([O-])c1ccccc1OCC[NH2+][C@@H]1CCOC12CCOCC2 ZINC000934408333 714813394 /nfs/dbraw/zinc/81/33/94/714813394.db2.gz OZKQXUUMZDYLSW-OAHLLOKOSA-N 1 0 322.361 1.901 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCC2(CCC[N@H+]2C)CC1 ZINC000935219266 715006337 /nfs/dbraw/zinc/00/63/37/715006337.db2.gz CXGKESKHOMXLED-UHFFFAOYSA-N 1 0 321.381 1.187 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC001164637379 719160327 /nfs/dbraw/zinc/16/03/27/719160327.db2.gz OKGXOHOZYHVQBG-ZJUUUORDSA-N 1 0 308.338 1.305 20 5 DDBDRO Cc1cnc(N2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)c([N+](=O)[O-])c1 ZINC001164922019 721849554 /nfs/dbraw/zinc/84/95/54/721849554.db2.gz PQLPXMCEHCNYNH-KBPBESRZSA-N 1 0 319.409 1.513 20 5 DDBDRO [NH3+][C@H]1CN(c2cc(Cl)nc3ccc([N+](=O)[O-])cc32)C[C@H]1O ZINC001167093617 732566560 /nfs/dbraw/zinc/56/65/60/732566560.db2.gz XJWABFWGWZGMBY-JOYOIKCWSA-N 1 0 308.725 1.305 20 5 DDBDRO C[NH2+]Cc1c(C)nn(-c2nc(C(=O)OC)ccc2[N+](=O)[O-])c1C ZINC001167100049 732614606 /nfs/dbraw/zinc/61/46/06/732614606.db2.gz MGFIPVVCWOTMJK-UHFFFAOYSA-N 1 0 319.321 1.298 20 5 DDBDRO O=[N+]([O-])c1cccc(N2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)n1 ZINC001167206289 732826945 /nfs/dbraw/zinc/82/69/45/732826945.db2.gz STLJQZDLPJWDPQ-PBHICJAKSA-N 1 0 310.357 1.967 20 5 DDBDRO [NH3+]Cc1cnc2c(ccn2-c2cc([N+](=O)[O-])c3nncn3c2)c1 ZINC001167313781 733142636 /nfs/dbraw/zinc/14/26/36/733142636.db2.gz NWQJOXREGIHUMO-UHFFFAOYSA-N 1 0 309.289 1.435 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)C)C1 ZINC001023006275 734994325 /nfs/dbraw/zinc/99/43/25/734994325.db2.gz LEVHERKHDWXYHY-AOOOYVTPSA-N 1 0 309.370 1.111 20 5 DDBDRO O=C(NCC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)C1CC1 ZINC001167778648 738256489 /nfs/dbraw/zinc/25/64/89/738256489.db2.gz JZEUDNPHWHDTPD-LBPRGKRZSA-N 1 0 319.365 1.002 20 5 DDBDRO C[NH+]1CC(C(=O)Nc2cc3nc4ccccc4nc3cc2N)C1 ZINC001142595988 742427681 /nfs/dbraw/zinc/42/76/81/742427681.db2.gz VZSLHIOHDMKJOI-UHFFFAOYSA-N 1 0 307.357 1.865 20 5 DDBDRO CC(C)([NH2+]C[C@H](O)C1(O)CCOCC1)c1ccccc1[N+](=O)[O-] ZINC001194683076 746437126 /nfs/dbraw/zinc/43/71/26/746437126.db2.gz JXYSGRBXMCMVTF-AWEZNQCLSA-N 1 0 324.377 1.322 20 5 DDBDRO Cc1nccc(CN[C@](C)(CO)c2cccc([N+](=O)[O-])c2)n1 ZINC001196907327 747004822 /nfs/dbraw/zinc/00/48/22/747004822.db2.gz LEDWZELFXUTEGQ-OAHLLOKOSA-N 1 0 302.334 1.691 20 5 DDBDRO C[C@H]([NH2+]C[C@@H](O)C1(O)CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC001197661596 747226217 /nfs/dbraw/zinc/22/62/17/747226217.db2.gz XCWDDHHXGRIVQV-SMDDNHRTSA-N 1 0 310.350 1.148 20 5 DDBDRO CC[N@H+](C)[C@@H]1CCN(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC001198872669 747642237 /nfs/dbraw/zinc/64/22/37/747642237.db2.gz QYVFUANWQYDFHN-CQSZACIVSA-N 1 0 320.393 1.868 20 5 DDBDRO CCCSCC(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001124198142 747717757 /nfs/dbraw/zinc/71/77/57/747717757.db2.gz UPZLDKAQZZMIGL-UHFFFAOYSA-N 1 0 311.407 1.944 20 5 DDBDRO CN(C)c1cc[nH+]c(CNC(=O)Nc2ccncc2[N+](=O)[O-])c1 ZINC001202230165 748711354 /nfs/dbraw/zinc/71/13/54/748711354.db2.gz LWEFZRRDBLWWOC-UHFFFAOYSA-N 1 0 316.321 1.194 20 5 DDBDRO Cc1cnc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)o1 ZINC001034643044 750625756 /nfs/dbraw/zinc/62/57/56/750625756.db2.gz JHXFJBXKCFGKKL-FDYHWXHSSA-N 1 0 322.365 1.165 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2ccc(-n3cccn3)nc2)C1 ZINC001168984879 762152301 /nfs/dbraw/zinc/15/23/01/762152301.db2.gz BCLXMCWQKYRIJC-OCCSQVGLSA-N 1 0 301.350 1.802 20 5 DDBDRO Cn1c(=O)ccc2c1CC[C@@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001168962692 762157119 /nfs/dbraw/zinc/15/71/19/762157119.db2.gz MRPUNHSQUFSRGN-KWCYVHTRSA-N 1 0 305.378 1.278 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@H]2CCN(Cc3cccnc3)C2)C1 ZINC001168994128 762167701 /nfs/dbraw/zinc/16/77/01/762167701.db2.gz PLLKRPKYRKVVMH-BMFZPTHFSA-N 1 0 304.394 1.691 20 5 DDBDRO CC(C)(C)[C@H](CN1CCOCC1)[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169001482 762173081 /nfs/dbraw/zinc/17/30/81/762173081.db2.gz GISKQXUWQRYJER-ZNMIVQPWSA-N 1 0 313.442 1.768 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CC2CCN(c3cnccn3)CC2)C1 ZINC001168990720 762182189 /nfs/dbraw/zinc/18/21/89/762182189.db2.gz DRFDFMCUACPFAW-HUUCEWRRSA-N 1 0 319.409 1.728 20 5 DDBDRO CN(C)C1=NOC2(C1)CC[NH+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169023711 762200678 /nfs/dbraw/zinc/20/06/78/762200678.db2.gz PUTAORSXNHZTNF-QWHCGFSZSA-N 1 0 310.398 1.562 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(NCc2ncn3c2C[NH2+]CCC3)n1 ZINC001169242769 762306817 /nfs/dbraw/zinc/30/68/17/762306817.db2.gz YBWHHMXJJIBGNZ-UHFFFAOYSA-N 1 0 302.338 1.600 20 5 DDBDRO Cc1cc(-n2nncc2C[NH3+])c([N+](=O)[O-])cc1Br ZINC001169312151 762335624 /nfs/dbraw/zinc/33/56/24/762335624.db2.gz OUKYMDSDFROAJQ-UHFFFAOYSA-N 1 0 312.127 1.705 20 5 DDBDRO COc1ccc(CNc2cc3c(cc2[N+](=O)[O-])C[NH2+]C3)nn1 ZINC001169469230 762454992 /nfs/dbraw/zinc/45/49/92/762454992.db2.gz MXAQCIOIYPDATG-UHFFFAOYSA-N 1 0 301.306 1.609 20 5 DDBDRO C[NH+](C)CCC(=O)N[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001097251893 757034751 /nfs/dbraw/zinc/03/47/51/757034751.db2.gz MBJZBFIMBRJSGA-BETUJISGSA-N 1 0 306.366 1.606 20 5 DDBDRO C[NH+](C)CCC(=O)N[C@@H]1[C@H]2CN(c3ccccc3[N+](=O)[O-])C[C@H]21 ZINC001097584728 757260385 /nfs/dbraw/zinc/26/03/85/757260385.db2.gz KOJGBYXADFBAEZ-ATCWAGBWSA-N 1 0 318.377 1.097 20 5 DDBDRO Cc1ccc(C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000823785269 758361987 /nfs/dbraw/zinc/36/19/87/758361987.db2.gz ZZQIEMZNCHWRON-DOMZBBRYSA-N 1 0 320.393 1.267 20 5 DDBDRO O=C1NCc2c1c([N+](=O)[O-])ccc2NCC12CC[NH+](CC1)CC2 ZINC001169799308 762666158 /nfs/dbraw/zinc/66/61/58/762666158.db2.gz AXLOGEZSVSZPCI-UHFFFAOYSA-N 1 0 316.361 1.736 20 5 DDBDRO C[NH+](C)CCC(=O)N1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC001113300487 765532227 /nfs/dbraw/zinc/53/22/27/765532227.db2.gz XWLGLCZHNYUGLU-UHFFFAOYSA-N 1 0 320.393 1.191 20 5 DDBDRO O=c1nc2nc[nH]c2c(Nc2cc3c(cc2[N+](=O)[O-])C[NH2+]C3)[nH]1 ZINC001170233205 766187752 /nfs/dbraw/zinc/18/77/52/766187752.db2.gz LMRDYEHPPINXIQ-UHFFFAOYSA-N 1 0 313.277 1.314 20 5 DDBDRO COc1ccc(C[C@@H](C)[NH2+]C[C@H]2CN(C)CCO2)c([N+](=O)[O-])c1 ZINC001170299125 766227080 /nfs/dbraw/zinc/22/70/80/766227080.db2.gz QODUQCUBKZGMGE-DOMZBBRYSA-N 1 0 323.393 1.455 20 5 DDBDRO COCC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3[N+](=O)[O-])C[C@@H]2C1 ZINC001048630699 769594195 /nfs/dbraw/zinc/59/41/95/769594195.db2.gz ORFVPSZKGGKHFI-OKILXGFUSA-N 1 0 319.361 1.131 20 5 DDBDRO O=[N+]([O-])c1ccc(-c2ccccc2)nc1N[C@H]1C[NH2+]C[C@@H]1CO ZINC001170772724 771183950 /nfs/dbraw/zinc/18/39/50/771183950.db2.gz DOBXCGBVYPBMLV-OCCSQVGLSA-N 1 0 314.345 1.649 20 5 DDBDRO O=[N+]([O-])c1cc(N[C@@H]2C[NH2+]C[C@H]2CO)ccc1OC(F)(F)F ZINC001170781369 771250688 /nfs/dbraw/zinc/25/06/88/771250688.db2.gz QWZUXOBUQCWXAF-IONNQARKSA-N 1 0 321.255 1.486 20 5 DDBDRO CC[NH+](CC)CC(=O)N[C@H]1C[C@H](Nc2ccccc2[N+](=O)[O-])C1 ZINC001097029738 771600563 /nfs/dbraw/zinc/60/05/63/771600563.db2.gz JVUUEDUBXAZTEN-JOCQHMNTSA-N 1 0 320.393 1.996 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)n1 ZINC001136342799 771942352 /nfs/dbraw/zinc/94/23/52/771942352.db2.gz DAPVWLKVVPPWIA-NSHDSACASA-N 1 0 304.350 1.512 20 5 DDBDRO Cc1cc([N+](=O)[O-])cnc1NCCNC(=O)C1CC[NH+](C)CC1 ZINC001093701531 775022338 /nfs/dbraw/zinc/02/23/38/775022338.db2.gz XCMJZEBJBRWTFJ-UHFFFAOYSA-N 1 0 321.381 1.168 20 5 DDBDRO CC[NH+](CC)CC(=O)NCC1(Nc2ccccc2[N+](=O)[O-])CC1 ZINC001110148797 775036094 /nfs/dbraw/zinc/03/60/94/775036094.db2.gz WLLNRVSRAJEVJY-UHFFFAOYSA-N 1 0 320.393 1.997 20 5 DDBDRO C[NH+](C)C1(C(=O)NCCNc2ccc([N+](=O)[O-])cc2F)CCC1 ZINC001093927309 775221492 /nfs/dbraw/zinc/22/14/92/775221492.db2.gz DWEIGUHCYSKVAM-UHFFFAOYSA-N 1 0 324.356 1.746 20 5 DDBDRO CC(C)[N@H+](C)CC(=O)NCC1(Nc2ncccc2[N+](=O)[O-])CC1 ZINC001110158734 775951646 /nfs/dbraw/zinc/95/16/46/775951646.db2.gz OUAUMZYNCCGQGV-UHFFFAOYSA-N 1 0 321.381 1.391 20 5 DDBDRO Cc1c(Nc2nccnc2C[NH3+])ccc([N+](=O)[O-])c1[N+](=O)[O-] ZINC001171447966 776021115 /nfs/dbraw/zinc/02/11/15/776021115.db2.gz RKMIOWDWYJLIGF-UHFFFAOYSA-N 1 0 304.266 1.804 20 5 DDBDRO O=C1NCCC[C@@H]1[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172900296 776915181 /nfs/dbraw/zinc/91/51/81/776915181.db2.gz SBOGYEFFKLFWFD-HIFRSBDPSA-N 1 0 303.362 1.710 20 5 DDBDRO CC[C@]([NH3+])(CO)N[C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173192863 777037689 /nfs/dbraw/zinc/03/76/89/777037689.db2.gz RPKAUCNWWRPPOZ-YMTOWFKASA-N 1 0 315.345 1.320 20 5 DDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1CN(c2ccncn2)C1 ZINC001173225552 777061458 /nfs/dbraw/zinc/06/14/58/777061458.db2.gz RRIGXTPIOZPDBV-GFCCVEGCSA-N 1 0 313.361 1.794 20 5 DDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC001173227586 777062714 /nfs/dbraw/zinc/06/27/14/777062714.db2.gz RCKIUXRDKGIMCO-PBHICJAKSA-N 1 0 319.405 1.932 20 5 DDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1C[C@@H]2COC[C@H](C1)C2=O ZINC001173235933 777065125 /nfs/dbraw/zinc/06/51/25/777065125.db2.gz COELCGJQMNHIAM-FPMFFAJLSA-N 1 0 304.346 1.673 20 5 DDBDRO CN(CCNc1ccc([N+](=O)[O-])cc1F)C(=O)CC[NH+](C)C ZINC001101926936 777688858 /nfs/dbraw/zinc/68/88/58/777688858.db2.gz GXZPLSVQNJKBKI-UHFFFAOYSA-N 1 0 312.345 1.556 20 5 DDBDRO CN(CCNc1ccccc1[N+](=O)[O-])C(=O)C[N@H+](C)C1CCC1 ZINC001102017188 777798605 /nfs/dbraw/zinc/79/86/05/777798605.db2.gz JWMBVQJVAHOMRW-UHFFFAOYSA-N 1 0 320.393 1.949 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@H](c2cn(C)nn2)C1 ZINC001176886048 778294333 /nfs/dbraw/zinc/29/43/33/778294333.db2.gz FHGFJXPNTVLDOL-GFCCVEGCSA-N 1 0 319.369 1.108 20 5 DDBDRO CC(=O)N1CCC([NH2+]CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC001177683417 778694621 /nfs/dbraw/zinc/69/46/21/778694621.db2.gz DANSDBUVEAFINE-UHFFFAOYSA-N 1 0 307.350 1.574 20 5 DDBDRO CS[C@@H]1CC[C@@H]([N@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001116150367 780477917 /nfs/dbraw/zinc/47/79/17/780477917.db2.gz NSIRQVHNMORPOP-KGYLQXTDSA-N 1 0 314.411 1.368 20 5 DDBDRO C[C@@H]1C[C@H](NC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC001117797908 780901904 /nfs/dbraw/zinc/90/19/04/780901904.db2.gz MZAQQTIFSNKMQN-QKCSRTOESA-N 1 0 307.350 1.227 20 5 DDBDRO CO[C@H]1C[NH2+][C@](C)(C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001119237105 781374701 /nfs/dbraw/zinc/37/47/01/781374701.db2.gz PKBIQLBQYBKUKN-HIFRSBDPSA-N 1 0 305.334 1.204 20 5 DDBDRO Cc1sc(C(=O)N(CC[NH3+])CC(F)(F)F)cc1[N+](=O)[O-] ZINC001119361123 781419754 /nfs/dbraw/zinc/41/97/54/781419754.db2.gz GVEIXIOSSYANEI-UHFFFAOYSA-N 1 0 311.285 1.928 20 5 DDBDRO CCCOCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001266671902 836633625 /nfs/dbraw/zinc/63/36/25/836633625.db2.gz GOFLSLRDKFKMBD-OKILXGFUSA-N 1 0 321.377 1.758 20 5 DDBDRO Cc1cc(C(=O)NCCC[NH2+]Cc2ccccc2[N+](=O)[O-])on1 ZINC001154555019 861212496 /nfs/dbraw/zinc/21/24/96/861212496.db2.gz QJBJUEGGEBKXMR-UHFFFAOYSA-N 1 0 318.333 1.801 20 5 DDBDRO COC(=O)[C@H]1CCC[C@H]1[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001326697753 861552899 /nfs/dbraw/zinc/55/28/99/861552899.db2.gz GHZRIBHBYVKNHD-WDEREUQCSA-N 1 0 321.333 1.465 20 5 DDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](C[NH2+]C)C1 ZINC001326970892 861762477 /nfs/dbraw/zinc/76/24/77/861762477.db2.gz LXZWWMAWIWGKAN-NSHDSACASA-N 1 0 306.366 1.708 20 5 DDBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC[C@H](N2CC(C[NH3+])C2)C1 ZINC001155364120 861997442 /nfs/dbraw/zinc/99/74/42/861997442.db2.gz UWSWTLAEOXQKIO-ZDUSSCGKSA-N 1 0 305.382 1.158 20 5 DDBDRO Cc1cc(Cl)nc(N[C@H]2COCCC23C[NH2+]C3)c1[N+](=O)[O-] ZINC001155462660 862113317 /nfs/dbraw/zinc/11/33/17/862113317.db2.gz RSXBYWHOOFVIEF-VIFPVBQESA-N 1 0 312.757 1.742 20 5 DDBDRO O=[N+]([O-])c1ccc2ccnc(NC[C@@]34C[NH2+][C@@H](CO3)C4)c2c1 ZINC001155543646 862211824 /nfs/dbraw/zinc/21/18/24/862211824.db2.gz LRZXGXHMGXZPRH-IAQYHMDHSA-N 1 0 300.318 1.686 20 5 DDBDRO O=C1C[C@H]2[NH2+]CC[C@]2(Nc2nccc3ccc([N+](=O)[O-])cc32)N1 ZINC001155573990 862243496 /nfs/dbraw/zinc/24/34/96/862243496.db2.gz DCFDSGHIEFPWCT-IUODEOHRSA-N 1 0 313.317 1.133 20 5 DDBDRO O=C(NC[C@@H]1C[NH2+]CCC1(F)F)c1csc([N+](=O)[O-])c1 ZINC000716998834 851451724 /nfs/dbraw/zinc/45/17/24/851451724.db2.gz HFTACCVJTPNHGE-QMMMGPOBSA-N 1 0 305.306 1.631 20 5 DDBDRO O=[N+]([O-])c1cnc(NC[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)c(F)c1 ZINC001155599869 862277198 /nfs/dbraw/zinc/27/71/98/862277198.db2.gz UZZNZSQPRYGWDC-QMTHXVAHSA-N 1 0 310.329 1.700 20 5 DDBDRO O=C(NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1)C1=COCCC1 ZINC001155601418 862278857 /nfs/dbraw/zinc/27/88/57/862278857.db2.gz AFANVRHMQHETCT-UHFFFAOYSA-N 1 0 319.361 1.885 20 5 DDBDRO O=[N+]([O-])c1cnc(N[C@@H]2CCO[C@@]3(CC[NH2+]C3)C2)c(Cl)c1 ZINC001155619104 862298041 /nfs/dbraw/zinc/29/80/41/862298041.db2.gz NRWDTCOSEGSZBF-RNCFNFMXSA-N 1 0 312.757 1.966 20 5 DDBDRO COc1cc(N[C@H]2CCO[C@]3(CC[NH2+]C3)C2)ncc1[N+](=O)[O-] ZINC001155618320 862296266 /nfs/dbraw/zinc/29/62/66/862296266.db2.gz CWDYIFUYECKSQO-IINYFYTJSA-N 1 0 308.338 1.321 20 5 DDBDRO CN(CCCNC(=O)CC[NH+](C)C)c1ccccc1[N+](=O)[O-] ZINC001095732137 855181060 /nfs/dbraw/zinc/18/10/60/855181060.db2.gz MSMYYJBFQPKWKW-UHFFFAOYSA-N 1 0 308.382 1.489 20 5 DDBDRO C[NH2+][C@H](C)CCNS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC001328388298 862944270 /nfs/dbraw/zinc/94/42/70/862944270.db2.gz QXCUWJWIUJPZCZ-LLVKDONJSA-N 1 0 315.395 1.488 20 5 DDBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)C12CC(C1)C[NH2+]2 ZINC001121951861 858643193 /nfs/dbraw/zinc/64/31/93/858643193.db2.gz VZSXUWCRUDKCMT-UHFFFAOYSA-N 1 0 303.362 1.786 20 5 DDBDRO [NH3+][C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)C[C@H]1C(F)(F)F ZINC001122241160 858722883 /nfs/dbraw/zinc/72/28/83/858722883.db2.gz XJWKQWAWHONDKT-PSASIEDQSA-N 1 0 321.230 1.696 20 5 DDBDRO C[C@H](CNC(=O)[C@@H]1[C@@H]2CC[NH2+]C[C@@H]21)c1ccccc1[N+](=O)[O-] ZINC001122267049 858731287 /nfs/dbraw/zinc/73/12/87/858731287.db2.gz JMAZJVGZVDVIFY-IKVITTDRSA-N 1 0 303.362 1.670 20 5 DDBDRO C[C@H](NC(=O)[C@H]1C[N@@H+]2CCN1C[C@H]2C)c1ccccc1[N+](=O)[O-] ZINC001123975898 859506544 /nfs/dbraw/zinc/50/65/44/859506544.db2.gz GUSQVLAMRAVGBN-TYNCELHUSA-N 1 0 318.377 1.160 20 5 DDBDRO Cc1ncncc1C(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001124113702 859586344 /nfs/dbraw/zinc/58/63/44/859586344.db2.gz VIQIQJQKVAGILJ-UHFFFAOYSA-N 1 0 321.362 1.274 20 5 DDBDRO C[C@H](OCC[N+](C)(C)C)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001224772687 881528491 /nfs/dbraw/zinc/52/84/91/881528491.db2.gz BPFBQZSDQDQDDC-WMZOPIPTSA-N 1 0 307.458 1.999 20 5 DDBDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC001141747791 860927905 /nfs/dbraw/zinc/92/79/05/860927905.db2.gz IWQQCAPIFBBLQD-GHMZBOCLSA-N 1 0 306.322 1.052 20 5 DDBDRO COC(=O)C1(Nc2ncc(Cl)cc2[N+](=O)[O-])CC[NH2+]CC1 ZINC001156529989 863124707 /nfs/dbraw/zinc/12/47/07/863124707.db2.gz ZSUQWGIWTVQVFP-UHFFFAOYSA-N 1 0 314.729 1.350 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@H]([N@H+](C)C(C)C)C2)n1 ZINC001157022495 863522754 /nfs/dbraw/zinc/52/27/54/863522754.db2.gz YBOWPDKBMJIRFC-NSHDSACASA-N 1 0 322.365 1.695 20 5 DDBDRO COC(=O)c1cnc(N2C[C@H]3CCC[N@H+](C)[C@H]3C2)c([N+](=O)[O-])c1 ZINC001157266084 863695570 /nfs/dbraw/zinc/69/55/70/863695570.db2.gz NQEOHOJJWFQXQE-MFKMUULPSA-N 1 0 320.349 1.307 20 5 DDBDRO CCCN(CC[NH+]1CCCC1)C(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001157389310 863780030 /nfs/dbraw/zinc/78/00/30/863780030.db2.gz DMSMIBNVXSKNLA-UHFFFAOYSA-N 1 0 321.381 1.520 20 5 DDBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CCCC[C@@]12CCC[NH2+]C2 ZINC001157472534 863846689 /nfs/dbraw/zinc/84/66/89/863846689.db2.gz ZKZDZGHHHZXKAD-HNNXBMFYSA-N 1 0 306.366 1.649 20 5 DDBDRO COc1cc2ncnc(-n3cc(C[NH3+])cn3)c2cc1[N+](=O)[O-] ZINC001157475096 863849118 /nfs/dbraw/zinc/84/91/18/863849118.db2.gz UWCXIAAIQSBDPJ-UHFFFAOYSA-N 1 0 300.278 1.191 20 5 DDBDRO [NH3+][C@H]1CN(C(=O)c2cccc3nc4ccccc4nc32)C[C@H]1F ZINC001157560671 863925908 /nfs/dbraw/zinc/92/59/08/863925908.db2.gz XOVBSBYUVQRKPT-NEPJUHHUSA-N 1 0 310.332 1.904 20 5 DDBDRO O=C(CC1(O)CCC1)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001157657129 864023516 /nfs/dbraw/zinc/02/35/16/864023516.db2.gz GLJYQUPXHXIFCX-UHFFFAOYSA-N 1 0 321.377 1.496 20 5 DDBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CC[NH2+][C@H](c2ccccc2)C1 ZINC001157765784 864116121 /nfs/dbraw/zinc/11/61/21/864116121.db2.gz XAGWNZFLIXWDAV-AWEZNQCLSA-N 1 0 314.345 1.688 20 5 DDBDRO Cc1ccc(F)cc1C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157767290 864117981 /nfs/dbraw/zinc/11/79/81/864117981.db2.gz KVSNPBRBRFWHEU-ZIAGYGMSSA-N 1 0 309.341 1.395 20 5 DDBDRO [NH3+]Cc1ccc2ncn(-c3cc([N+](=O)[O-])cc(Cl)[n+]3[O-])c2c1 ZINC001158009683 864353809 /nfs/dbraw/zinc/35/38/09/864353809.db2.gz VKRVBXCCVJNLFL-UHFFFAOYSA-N 1 0 319.708 1.679 20 5 DDBDRO [NH3+]CCc1cnn(-c2nc(Cl)nc3ccc([N+](=O)[O-])cc32)c1 ZINC001158099424 864427018 /nfs/dbraw/zinc/42/70/18/864427018.db2.gz RCRMGRFTRLSTRB-UHFFFAOYSA-N 1 0 318.724 1.878 20 5 DDBDRO CCOC(=O)c1ccnc(N2C[C@@H](C)[NH2+][C@H](C)C2)c1[N+](=O)[O-] ZINC001158184702 864474836 /nfs/dbraw/zinc/47/48/36/864474836.db2.gz HJVLXDUQKWGZPR-NXEZZACHSA-N 1 0 308.338 1.353 20 5 DDBDRO CSC[C@@H](CCO)[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC001330607977 864484301 /nfs/dbraw/zinc/48/43/01/864484301.db2.gz KQYBNMXODZGGOW-KPPDAEKUSA-N 1 0 300.384 1.198 20 5 DDBDRO C[C@H](Nc1ncc([N+](=O)[O-])c2ccccc21)[C@H]1C[NH2+]CCO1 ZINC001159497976 865351289 /nfs/dbraw/zinc/35/12/89/865351289.db2.gz PWVLVIOKFAXAHW-IINYFYTJSA-N 1 0 302.334 1.932 20 5 DDBDRO C[C@@H](Nc1nccc2ccc([N+](=O)[O-])cc21)[C@@H]1C[NH2+]CCO1 ZINC001159497470 865351326 /nfs/dbraw/zinc/35/13/26/865351326.db2.gz IHEKKYNQXGUFDZ-YGRLFVJLSA-N 1 0 302.334 1.932 20 5 DDBDRO CC[N@H+](C)[C@H]1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC001160152396 865702917 /nfs/dbraw/zinc/70/29/17/865702917.db2.gz ASIIMWCMJMYALW-NSHDSACASA-N 1 0 317.349 1.637 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])c(NC2CCN([C@@H]3CC[NH2+]C3)CC2)n1 ZINC001161470894 866692866 /nfs/dbraw/zinc/69/28/66/866692866.db2.gz VLRUGGUERCBLLO-CQSZACIVSA-N 1 0 319.409 1.845 20 5 DDBDRO CCN(CC[NH2+]Cc1ccc(C)c(F)c1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001320734744 866992567 /nfs/dbraw/zinc/99/25/67/866992567.db2.gz NBKPWNXAPMGWCX-UKRRQHHQSA-N 1 0 323.368 1.737 20 5 DDBDRO COc1cc(C)nc(NCCN2CCC([NH3+])CC2)c1[N+](=O)[O-] ZINC001161867529 867045685 /nfs/dbraw/zinc/04/56/85/867045685.db2.gz IQVUWENHAFUOAU-UHFFFAOYSA-N 1 0 309.370 1.142 20 5 DDBDRO Nc1ccc(NC(=O)N2CCC[N@@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC001333885848 867116511 /nfs/dbraw/zinc/11/65/11/867116511.db2.gz QWQFOYYBYDPHQN-LBPRGKRZSA-N 1 0 319.365 1.879 20 5 DDBDRO C[C@@H](CN1CC[NH2+]CC1)Nc1ccc2nsnc2c1[N+](=O)[O-] ZINC001162097618 867251815 /nfs/dbraw/zinc/25/18/15/867251815.db2.gz WIBKMDHQNBGETI-VIFPVBQESA-N 1 0 322.394 1.305 20 5 DDBDRO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001324694478 867456292 /nfs/dbraw/zinc/45/62/92/867456292.db2.gz WXQUPNVSIHNCKJ-ZNMIVQPWSA-N 1 0 321.377 1.617 20 5 DDBDRO COC(=O)c1ncc([N+](=O)[O-])c(C)c1N[C@H]1CCC[C@H]([NH3+])C1 ZINC001162397619 867513130 /nfs/dbraw/zinc/51/31/30/867513130.db2.gz WZFABLRWSCXIQI-UWVGGRQHSA-N 1 0 308.338 1.767 20 5 DDBDRO COCC1(C(=O)NCCC[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001162512863 867601568 /nfs/dbraw/zinc/60/15/68/867601568.db2.gz VQULDRPWJXWKQF-UHFFFAOYSA-N 1 0 321.377 1.617 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(NCc2nnc3n2CCC[NH2+]C3)c1F ZINC001163021981 868010575 /nfs/dbraw/zinc/01/05/75/868010575.db2.gz KGIVUHAMSPSFDY-UHFFFAOYSA-N 1 0 320.328 1.739 20 5 DDBDRO O=[N+]([O-])c1cc2c(nc1NC[C@]13C[NH2+]C[C@H]1COC3)CCCC2 ZINC001163153360 868164073 /nfs/dbraw/zinc/16/40/73/868164073.db2.gz LYJUYIBFZKWSBC-LRDDRELGSA-N 1 0 318.377 1.517 20 5 DDBDRO C[NH+](C)[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)C1(C)C ZINC001163572502 868542353 /nfs/dbraw/zinc/54/23/53/868542353.db2.gz WBVHIRAYNUAMCP-CHWSQXEVSA-N 1 0 306.366 1.834 20 5 DDBDRO COc1cnc(N[C@H]2CCCC[C@@]23C[NH2+]CCO3)cc1[N+](=O)[O-] ZINC001163644168 868586579 /nfs/dbraw/zinc/58/65/79/868586579.db2.gz AIVCUQKXYLFALV-DZGCQCFKSA-N 1 0 322.365 1.712 20 5 DDBDRO CCOC(=O)c1ccc(-n2nc(C[NH3+])cc2C)c([N+](=O)[O-])c1 ZINC001163985833 868846948 /nfs/dbraw/zinc/84/69/48/868846948.db2.gz FGKLSRSCFUDGIW-UHFFFAOYSA-N 1 0 304.306 1.724 20 5 DDBDRO O=[N+]([O-])c1cnc(N2CC[NH2+][C@H](c3ccc(O)cc3)C2)c(F)c1 ZINC001164036186 868905240 /nfs/dbraw/zinc/90/52/40/868905240.db2.gz BKLDZXKMHALVBX-AWEZNQCLSA-N 1 0 318.308 1.985 20 5 DDBDRO CC[NH+]1CCN(C2CN(c3ncc([N+](=O)[O-])cc3C)C2)CC1 ZINC001336737185 869116904 /nfs/dbraw/zinc/11/69/04/869116904.db2.gz NMAQIOMNLAPXLR-UHFFFAOYSA-N 1 0 305.382 1.124 20 5 DDBDRO CC[N@H+](C)[C@@H]1CCN(c2nccc(C(=O)OC)c2[N+](=O)[O-])C1 ZINC001164401247 869179661 /nfs/dbraw/zinc/17/96/61/869179661.db2.gz WSEYNHTZIAUDPS-SNVBAGLBSA-N 1 0 308.338 1.307 20 5 DDBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@@H](C[NH3+])CC[C@H]1C ZINC001164468322 869213704 /nfs/dbraw/zinc/21/37/04/869213704.db2.gz QLZBERUQJQPBDH-GHMZBOCLSA-N 1 0 322.365 1.730 20 5 DDBDRO C[C@H](CNC(=O)NC[C@@H]1C[NH2+]C[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC001337024310 869271721 /nfs/dbraw/zinc/27/17/21/869271721.db2.gz PEQOWEBMGGWQCP-UPJWGTAASA-N 1 0 320.393 1.853 20 5 DDBDRO CC[NH+](CC)CCN(CCOC)c1cc(N)c([N+](=O)[O-])cn1 ZINC001337066637 869302741 /nfs/dbraw/zinc/30/27/41/869302741.db2.gz KCNZGIQPMYFSEX-UHFFFAOYSA-N 1 0 311.386 1.367 20 5 DDBDRO O=[N+]([O-])c1cc[n+]([O-])c(N2CCCC[C@@H]2C2CC[NH2+]CC2)c1 ZINC001165320725 869516866 /nfs/dbraw/zinc/51/68/66/869516866.db2.gz SDPJUASONXPWFC-CQSZACIVSA-N 1 0 306.366 1.587 20 5 DDBDRO Cc1nc2c(n1-c1ncnc3cccc([N+](=O)[O-])c31)CC[NH2+]CC2 ZINC001165356307 869543515 /nfs/dbraw/zinc/54/35/15/869543515.db2.gz MVEVZAAEGKSLKS-UHFFFAOYSA-N 1 0 324.344 1.720 20 5 DDBDRO O=[N+]([O-])c1ccccc1-c1ccc(N2CCC[C@@H]3[NH2+]C[C@H]32)nn1 ZINC001165392354 869563595 /nfs/dbraw/zinc/56/35/95/869563595.db2.gz BVKHXINEINTBOU-DZGCQCFKSA-N 1 0 311.345 1.992 20 5 DDBDRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1c1ncc(C)cc1[N+](=O)[O-] ZINC001165406144 869572586 /nfs/dbraw/zinc/57/25/86/869572586.db2.gz YWXDVFLMNDMQLK-WCFLWFBJSA-N 1 0 320.349 1.028 20 5 DDBDRO CC(C)C(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001338335528 869929220 /nfs/dbraw/zinc/92/92/20/869929220.db2.gz LUKYLBTVYCPRIK-UHFFFAOYSA-N 1 0 306.366 1.941 20 5 DDBDRO COc1ccc(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](C)C[C@@H]23)cc1[N+](=O)[O-] ZINC001339318228 870444454 /nfs/dbraw/zinc/44/44/54/870444454.db2.gz SPVRSVWKEFGSQB-JHJVBQTASA-N 1 0 319.361 1.673 20 5 DDBDRO CC(C)[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC001305225328 871267600 /nfs/dbraw/zinc/26/76/00/871267600.db2.gz OFESGJMIPQEYKB-AAEUAGOBSA-N 1 0 321.381 1.653 20 5 DDBDRO Cn1cc([N+](=O)[O-])c(NC2CC[NH+](C[C@@H]3CCCO3)CC2)n1 ZINC001306932319 871383882 /nfs/dbraw/zinc/38/38/82/871383882.db2.gz RNFKDNKPUMLNKP-LBPRGKRZSA-N 1 0 309.370 1.384 20 5 DDBDRO O=[N+]([O-])c1cnc(N2CC[NH2+][C@H](Cc3ccc(F)cc3)C2)nc1 ZINC001307237371 871415279 /nfs/dbraw/zinc/41/52/79/871415279.db2.gz ZQKXYTUYAKLDNY-CYBMUJFWSA-N 1 0 317.324 1.545 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1C[C@H](CO)[C@@H](CCO)C1 ZINC001308982661 871543963 /nfs/dbraw/zinc/54/39/63/871543963.db2.gz FVLIVSWWJKWIIW-UONOGXRCSA-N 1 0 308.378 1.634 20 5 DDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001341339887 871613281 /nfs/dbraw/zinc/61/32/81/871613281.db2.gz SUMFZTWUUIRTMJ-MRXNPFEDSA-N 1 0 318.377 1.995 20 5 DDBDRO CC1(C)CCC[N@@H+]1CCNC(=O)Nc1ccncc1[N+](=O)[O-] ZINC001310448821 871633222 /nfs/dbraw/zinc/63/32/22/871633222.db2.gz ABZPQKGXYAFWGK-UHFFFAOYSA-N 1 0 307.354 1.408 20 5 DDBDRO C[C@@H](CNC(=O)C[C@H]1C[NH2+]CCO1)c1ccccc1[N+](=O)[O-] ZINC001341429672 871656885 /nfs/dbraw/zinc/65/68/85/871656885.db2.gz VTKVVDGEOVRJBD-RYUDHWBXSA-N 1 0 307.350 1.193 20 5 DDBDRO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)COc1ccc([N+](=O)[O-])cc1)C2 ZINC001341483145 871679262 /nfs/dbraw/zinc/67/92/62/871679262.db2.gz GWOMSBVJLRPZFT-LOWVWBTDSA-N 1 0 305.334 1.312 20 5 DDBDRO C[C@@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[NH+](C)CC1 ZINC001318213552 871835037 /nfs/dbraw/zinc/83/50/37/871835037.db2.gz FMAKHUAIOQNRNO-LBPRGKRZSA-N 1 0 321.381 1.352 20 5 DDBDRO C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC001342514705 872242065 /nfs/dbraw/zinc/24/20/65/872242065.db2.gz UHMXKTSSUPNQGO-VXGBXAGGSA-N 1 0 307.350 1.335 20 5 DDBDRO CC1(C)CN(C(=O)CSc2ccc([N+](=O)[O-])cc2)C[C@H]1[NH3+] ZINC001342583213 872273908 /nfs/dbraw/zinc/27/39/08/872273908.db2.gz ISERIVGEGJWYDL-GFCCVEGCSA-N 1 0 309.391 1.883 20 5 DDBDRO O=C(NC[C@]12CCC[C@H]1[NH2+]CC2)c1c(F)cccc1[N+](=O)[O-] ZINC001342585075 872276901 /nfs/dbraw/zinc/27/69/01/872276901.db2.gz ZVGDTXCUEHYBEB-IUODEOHRSA-N 1 0 307.325 1.996 20 5 DDBDRO [NH3+]C[C@]12CC[C@H]1CCCN2C(=O)COc1cccc([N+](=O)[O-])c1 ZINC001342853603 872413986 /nfs/dbraw/zinc/41/39/86/872413986.db2.gz WANVQFPUSMNFPQ-MLGOLLRUSA-N 1 0 319.361 1.704 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC2(CCNC2=O)CC1 ZINC001349699732 875311864 /nfs/dbraw/zinc/31/18/64/875311864.db2.gz LYPZWCWIIFANEY-UHFFFAOYSA-N 1 0 319.361 1.706 20 5 DDBDRO [NH3+]Cc1ccnc(-c2nc(-c3ncc(F)cc3[N+](=O)[O-])no2)c1 ZINC001214035592 876144628 /nfs/dbraw/zinc/14/46/28/876144628.db2.gz XGAMUMUGCAOLOM-UHFFFAOYSA-N 1 0 316.252 1.700 20 5 DDBDRO Cc1c(C(=O)NCC[C@H]2CSCC[NH2+]2)cccc1[N+](=O)[O-] ZINC001353948051 877657917 /nfs/dbraw/zinc/65/79/17/877657917.db2.gz AUOMDVKIPHKEPW-NSHDSACASA-N 1 0 309.391 1.728 20 5 DDBDRO C[NH+](C)[C@@H]1CC[C@@H]2CN(c3cc(N)c([N+](=O)[O-])cn3)C[C@H]2C1 ZINC001354280383 877854461 /nfs/dbraw/zinc/85/44/61/877854461.db2.gz VGPKIKCHQKOJOW-IJLUTSLNSA-N 1 0 305.382 1.739 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]Cc2cc3n(n2)CCCC3)cc1 ZINC001356544441 879093429 /nfs/dbraw/zinc/09/34/29/879093429.db2.gz FLFJIXMWPGHQLL-INIZCTEOSA-N 1 0 316.361 1.951 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1[NH2+]CC12CCCC2 ZINC001357145571 879816718 /nfs/dbraw/zinc/81/67/18/879816718.db2.gz PUEOGYFDPOJORZ-AWEZNQCLSA-N 1 0 319.361 1.752 20 5 DDBDRO C[C@H](OC(=O)C[C@@H](O)C[N+](C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC001224023684 881183753 /nfs/dbraw/zinc/18/37/53/881183753.db2.gz GYDDURQMWDAAOU-SMDDNHRTSA-N 1 0 311.358 1.656 20 5 DDBDRO CO[C@@H]1CC[N@H+](CCOc2ccc(Cl)nc2[N+](=O)[O-])C1 ZINC001230879468 884999545 /nfs/dbraw/zinc/99/95/45/884999545.db2.gz OSORDPMYSBSNGC-SECBINFHSA-N 1 0 301.730 1.743 20 5 DDBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(O[C@H]2CCC[N@@H+](C)CC2)n1 ZINC001234908167 888244563 /nfs/dbraw/zinc/24/45/63/888244563.db2.gz DHZBPFKPWQMDKB-NSHDSACASA-N 1 0 323.353 1.515 20 5 DDBDRO [NH3+]C[C@@H]1CN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCC1(F)F ZINC001246556732 892694220 /nfs/dbraw/zinc/69/42/20/892694220.db2.gz FXGISZZZJXYNPZ-OCCSQVGLSA-N 1 0 311.332 1.978 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCNC[C@@]12CC[NH2+]C2 ZINC001246620928 892743552 /nfs/dbraw/zinc/74/35/52/892743552.db2.gz BVICFCPIHXZQLG-CJNGLKHVSA-N 1 0 304.394 1.163 20 5 DDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCNC[C@]12CC[NH2+]C2 ZINC001246631627 892752044 /nfs/dbraw/zinc/75/20/44/892752044.db2.gz RTGQVJFLFUBEHC-CZUORRHYSA-N 1 0 304.394 1.163 20 5 DDBDRO C[C@]1(Cc2nc(-c3ncc(F)cc3[N+](=O)[O-])no2)CC[NH2+]C1 ZINC001247798549 893378234 /nfs/dbraw/zinc/37/82/34/893378234.db2.gz RZCFHBAGIWSFKI-CYBMUJFWSA-N 1 0 307.285 1.721 20 5 DDBDRO C[NH+]1CCC(O)(c2nc(-c3ncc(F)cc3[N+](=O)[O-])no2)CC1 ZINC001248968680 893787604 /nfs/dbraw/zinc/78/76/04/893787604.db2.gz ARXJJYZRUJEXOV-UHFFFAOYSA-N 1 0 323.284 1.092 20 5 DDBDRO C[C@H]1C[NH2+]CC[C@@H]1c1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001249146242 893844083 /nfs/dbraw/zinc/84/40/83/893844083.db2.gz BFVJFTYWANSDQY-CBAPKCEASA-N 1 0 307.285 1.892 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N(CC[NH3+])c1ncccn1 ZINC001254534721 896491678 /nfs/dbraw/zinc/49/16/78/896491678.db2.gz BXOMLCVGDFGCJW-GFCCVEGCSA-N 1 0 301.350 1.781 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCN(C2COC2)C1 ZINC001254538092 896493988 /nfs/dbraw/zinc/49/39/88/896493988.db2.gz OSFSHSFQQPVGDZ-OCCSQVGLSA-N 1 0 305.378 1.589 20 5 DDBDRO CC(=O)N1CC[C@H](C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001254543686 896496620 /nfs/dbraw/zinc/49/66/20/896496620.db2.gz FWMDNTXLEBQAGI-GXTWGEPZSA-N 1 0 305.378 1.984 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]C[C@@H]1CCS(=O)(=O)C1)C2 ZINC001254574625 896508171 /nfs/dbraw/zinc/50/81/71/896508171.db2.gz JJRSKZJLMCXDDR-GXFFZTMASA-N 1 0 310.375 1.086 20 5 DDBDRO CS(=O)(=O)[C@H]1C[C@@H]([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254575088 896511156 /nfs/dbraw/zinc/51/11/56/896511156.db2.gz NTDTXYAGWUNMRR-SGMGOOAPSA-N 1 0 310.375 1.227 20 5 DDBDRO COc1cc(N2CCC([NH2+]C3CN(C)C3)CC2)ccc1[N+](=O)[O-] ZINC001256087376 897277335 /nfs/dbraw/zinc/27/73/35/897277335.db2.gz YVSSWASHUFDFGX-UHFFFAOYSA-N 1 0 320.393 1.476 20 5 DDBDRO COc1c(O)ccc(C[NH2+][C@H]2CCN(C3CC3)C2)c1[N+](=O)[O-] ZINC001262359576 900130792 /nfs/dbraw/zinc/13/07/92/900130792.db2.gz CUYOPGVTPKBBQU-NSHDSACASA-N 1 0 307.350 1.635 20 5 DDBDRO Cc1nc(N2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001262377093 900138132 /nfs/dbraw/zinc/13/81/32/900138132.db2.gz LQWTTWOTCHUZSX-YNEHKIRRSA-N 1 0 305.382 1.860 20 5 DDBDRO C[C@H](CNC(=O)NC[C@@H]1CCC[NH2+]C1)c1ccccc1[N+](=O)[O-] ZINC001262583694 900262598 /nfs/dbraw/zinc/26/25/98/900262598.db2.gz GTEULCNBQXGXEY-CHWSQXEVSA-N 1 0 320.393 1.997 20 5 DDBDRO COc1cc(C(=O)N[C@@H]2C[NH+]3CCC2CC3)ccc1[N+](=O)[O-] ZINC001262639304 900283374 /nfs/dbraw/zinc/28/33/74/900283374.db2.gz YXVPAGPBVDZMEK-GFCCVEGCSA-N 1 0 305.334 1.427 20 5 DDBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001263107360 900501742 /nfs/dbraw/zinc/50/17/42/900501742.db2.gz VGCXOZWVMMKNPO-AOOOYVTPSA-N 1 0 307.375 1.608 20 5 DDBDRO O=C(COc1cccc([N+](=O)[O-])c1)N1CCC2(C[NH2+]C2)CC1 ZINC001263151539 900517191 /nfs/dbraw/zinc/51/71/91/900517191.db2.gz DZPQSMPIVRYTNG-UHFFFAOYSA-N 1 0 305.334 1.186 20 5 DDBDRO O=C(NC[C@H]1C[C@H]([NH2+]C/C(Cl)=C\Cl)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001263862065 900778454 /nfs/dbraw/zinc/77/84/54/900778454.db2.gz YGWVYTIBSUUOHZ-KMZMVRGJSA-N 1 0 322.192 1.455 20 5 DDBDRO Cc1c(C(=O)N[C@@H]2CC[C@@H]3C[N@@H+](C)C[C@@H]23)cccc1[N+](=O)[O-] ZINC001263980535 900854244 /nfs/dbraw/zinc/85/42/44/900854244.db2.gz YCHIWWFHESJOCV-MRVWCRGKSA-N 1 0 303.362 1.973 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)n1 ZINC000248664418 282097530 /nfs/dbraw/zinc/09/75/30/282097530.db2.gz KYURIMWZMSHPGJ-GHMZBOCLSA-N 1 0 307.354 1.120 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000449684690 230632071 /nfs/dbraw/zinc/63/20/71/230632071.db2.gz LWUSXQHJIMBTOD-LLVKDONJSA-N 1 0 307.350 1.865 20 5 DDBDRO Nc1ccc(C(=O)NCC2CC[NH+](C3CC3)CC2)cc1[N+](=O)[O-] ZINC000278473801 214176402 /nfs/dbraw/zinc/17/64/02/214176402.db2.gz DJCFTNCHXAKZRF-UHFFFAOYSA-N 1 0 318.377 1.781 20 5 DDBDRO C[C@H](O)[C@@H]1CC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000305857356 231075996 /nfs/dbraw/zinc/07/59/96/231075996.db2.gz KZGIXOGBDIVWGV-ZOWXZIJZSA-N 1 0 319.361 1.403 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC000451637652 231147019 /nfs/dbraw/zinc/14/70/19/231147019.db2.gz YAQZZZUKLTVANR-DOMZBBRYSA-N 1 0 318.377 1.478 20 5 DDBDRO CC[C@@H]1[C@H](CO)CC[N@@H+]1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000451253360 529485900 /nfs/dbraw/zinc/48/59/00/529485900.db2.gz JNZSTJUTPAXASJ-SWLSCSKDSA-N 1 0 321.377 1.935 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C2CC2)C[C@H](C)C1 ZINC000452171779 231323408 /nfs/dbraw/zinc/32/34/08/231323408.db2.gz RZZGRKJRRNSSSN-NSHDSACASA-N 1 0 318.377 1.855 20 5 DDBDRO Cc1cc(C(=O)NC[C@@H]2CCC[N@@H+]2CCCO)ccc1[N+](=O)[O-] ZINC000452347629 231355042 /nfs/dbraw/zinc/35/50/42/231355042.db2.gz JEQHZWIZBCMJOL-AWEZNQCLSA-N 1 0 321.377 1.480 20 5 DDBDRO Cc1c(C(=O)NC[C@H]2CCC[N@@H+]2CCCO)cccc1[N+](=O)[O-] ZINC000452353502 231358199 /nfs/dbraw/zinc/35/81/99/231358199.db2.gz UPSHHOQMHJLESM-CYBMUJFWSA-N 1 0 321.377 1.480 20 5 DDBDRO CC[C@H]([NH2+]C1(C(=O)NCCOC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000414208054 529583462 /nfs/dbraw/zinc/58/34/62/529583462.db2.gz KXXKFPDFBOJPNF-AWEZNQCLSA-N 1 0 321.377 1.931 20 5 DDBDRO COC(=O)c1cnc(NCCC[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000358151351 299089700 /nfs/dbraw/zinc/08/97/00/299089700.db2.gz NMTVPDHKUMRQIG-UHFFFAOYSA-N 1 0 308.338 1.674 20 5 DDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(C)(C)CC[NH3+] ZINC000422557396 529730712 /nfs/dbraw/zinc/73/07/12/529730712.db2.gz VZCXPZHKDMRPIQ-UHFFFAOYSA-N 1 0 315.395 1.563 20 5 DDBDRO C[NH+](C)CC1CCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC1 ZINC000330435708 231845344 /nfs/dbraw/zinc/84/53/44/231845344.db2.gz MCAALYZVCYJSFE-UHFFFAOYSA-N 1 0 323.397 1.327 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000183084753 199533500 /nfs/dbraw/zinc/53/35/00/199533500.db2.gz ZDZCBRSETYJVAF-LBPRGKRZSA-N 1 0 323.397 1.480 20 5 DDBDRO C[NH+](C)C1CCN(CCNC(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000267259035 282306242 /nfs/dbraw/zinc/30/62/42/282306242.db2.gz NYUBNFZVYBUBBE-UHFFFAOYSA-N 1 0 320.393 1.351 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCC1CS(=O)(=O)C1 ZINC000615761559 362429191 /nfs/dbraw/zinc/42/91/91/362429191.db2.gz FIVDUDNOKMJVQG-NSHDSACASA-N 1 0 312.391 1.989 20 5 DDBDRO C[N@@H+]1CCC[C@@H](CCNC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000458176620 530054287 /nfs/dbraw/zinc/05/42/87/530054287.db2.gz UONDAZAHOVQLQT-LBPRGKRZSA-N 1 0 309.370 1.030 20 5 DDBDRO CO[C@@H]1CCC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000181730093 199344130 /nfs/dbraw/zinc/34/41/30/199344130.db2.gz NNXLKUZEMWOHGU-QWHCGFSZSA-N 1 0 310.350 1.445 20 5 DDBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)Cn2cccn2)cc1[N+](=O)[O-] ZINC000181836767 199360135 /nfs/dbraw/zinc/36/01/35/199360135.db2.gz UTQSPQVKAGDAEM-TZMCWYRMSA-N 1 0 304.350 1.811 20 5 DDBDRO Cc1ccc([C@@H](C)[NH2+]CCN2C(=O)N[C@H](C)C2=O)cc1[N+](=O)[O-] ZINC000459388728 233156276 /nfs/dbraw/zinc/15/62/76/233156276.db2.gz PFINXEZRLVIDKS-GHMZBOCLSA-N 1 0 320.349 1.494 20 5 DDBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000601227818 358456184 /nfs/dbraw/zinc/45/61/84/358456184.db2.gz WPPMBDMHPGURDE-GWCFXTLKSA-N 1 0 320.349 1.084 20 5 DDBDRO C[C@@H]1[NH2+]CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000262885727 186318952 /nfs/dbraw/zinc/31/89/52/186318952.db2.gz WLDMWPAYTZXIRS-RYUDHWBXSA-N 1 0 307.350 1.573 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H](C)[NH+]1CCCC1 ZINC000617350005 363064149 /nfs/dbraw/zinc/06/41/49/363064149.db2.gz UYKUTIJFLUMHPE-NSHDSACASA-N 1 0 307.350 1.818 20 5 DDBDRO CC(C)[NH2+]CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000034186755 352291507 /nfs/dbraw/zinc/29/15/07/352291507.db2.gz FYCBDAOBGOKLQR-UHFFFAOYSA-N 1 0 301.368 1.261 20 5 DDBDRO CC[NH+]1CCN(CCCNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000041443489 352308263 /nfs/dbraw/zinc/30/82/63/352308263.db2.gz KBWHNLXSARMRHR-UHFFFAOYSA-N 1 0 320.393 1.352 20 5 DDBDRO Cc1ccc(NC(=O)C(=O)N[C@H](C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000062587302 352900883 /nfs/dbraw/zinc/90/08/83/352900883.db2.gz DJKPUZVKTWRGNW-LLVKDONJSA-N 1 0 322.365 1.298 20 5 DDBDRO Cc1cc(C(=O)NCC2([NH+](C)C)CCOCC2)ccc1[N+](=O)[O-] ZINC000073133350 353240165 /nfs/dbraw/zinc/24/01/65/353240165.db2.gz XNLFSQWWIXHGGS-UHFFFAOYSA-N 1 0 321.377 1.744 20 5 DDBDRO C[C@@H](CNC(=O)NCCc1ccccc1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000074099412 353291547 /nfs/dbraw/zinc/29/15/47/353291547.db2.gz BXVXZPYAQLGVKQ-LBPRGKRZSA-N 1 0 320.393 1.919 20 5 DDBDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000277112637 213301280 /nfs/dbraw/zinc/30/12/80/213301280.db2.gz DNUPDVUVRUUIGQ-GFCCVEGCSA-N 1 0 306.366 1.733 20 5 DDBDRO CNc1ccc(C(=O)NC[C@H](C)[N@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000075578237 353368575 /nfs/dbraw/zinc/36/85/75/353368575.db2.gz CSAMOGBXVWTENF-JTQLQIEISA-N 1 0 306.366 1.849 20 5 DDBDRO CC(C)NC(=O)c1ccc(N(C)CC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000080685097 353622751 /nfs/dbraw/zinc/62/27/51/353622751.db2.gz BJUMMMGZBHHUCE-UHFFFAOYSA-N 1 0 308.382 1.731 20 5 DDBDRO CC[C@@H](CO)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2COC)CC1 ZINC000080652442 353620843 /nfs/dbraw/zinc/62/08/43/353620843.db2.gz KLJVGGHZMIECNB-AWEZNQCLSA-N 1 0 323.393 1.634 20 5 DDBDRO CCc1nn(C)c(NC2CC[NH+]([C@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000091744565 353835820 /nfs/dbraw/zinc/83/58/20/353835820.db2.gz UGUICOHRSNAADD-LBPRGKRZSA-N 1 0 323.397 1.556 20 5 DDBDRO C[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC[NH2+]1 ZINC000092455192 353857489 /nfs/dbraw/zinc/85/74/89/353857489.db2.gz RJYNOSNNKISCMN-VIFPVBQESA-N 1 0 301.293 1.990 20 5 DDBDRO COc1cc(OCC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000161938451 354244120 /nfs/dbraw/zinc/24/41/20/354244120.db2.gz DLZYRWHKOYFDDO-MNOVXSKESA-N 1 0 323.349 1.368 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)C[C@H](O)C1CC1 ZINC000305233212 354469832 /nfs/dbraw/zinc/46/98/32/354469832.db2.gz MQDMZYPZIPOCBJ-HNNXBMFYSA-N 1 0 321.377 1.935 20 5 DDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)C[C@H](O)C1CC1 ZINC000305729963 354471265 /nfs/dbraw/zinc/47/12/65/354471265.db2.gz KFAPPIXVFAAEFK-YGRLFVJLSA-N 1 0 307.350 1.625 20 5 DDBDRO O=C(CC[NH2+]C1CC1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000320303866 354526487 /nfs/dbraw/zinc/52/64/87/354526487.db2.gz BOQMKUOEZHHFHE-UHFFFAOYSA-N 1 0 318.377 1.386 20 5 DDBDRO CN1C[C@H]([N@H+](C)CCOc2ccc([N+](=O)[O-])cc2)CCC1=O ZINC000584787603 354769646 /nfs/dbraw/zinc/76/96/46/354769646.db2.gz GCSDLYHWRCYLRO-CYBMUJFWSA-N 1 0 307.350 1.526 20 5 DDBDRO CC[C@@H]1C[C@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000584835279 354778950 /nfs/dbraw/zinc/77/89/50/354778950.db2.gz VFZRZRWYYIIFOF-MGPQQGTHSA-N 1 0 324.377 1.882 20 5 DDBDRO Nc1cc(NCC[NH+]2CCSCC2)cc(CO)c1[N+](=O)[O-] ZINC000587977196 354887981 /nfs/dbraw/zinc/88/79/81/354887981.db2.gz VAHLSAXWHGBDFG-UHFFFAOYSA-N 1 0 312.395 1.130 20 5 DDBDRO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000589574572 355002239 /nfs/dbraw/zinc/00/22/39/355002239.db2.gz BNBTUNTVSHIXCL-GHMZBOCLSA-N 1 0 319.365 1.152 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)c1 ZINC000590442946 355097260 /nfs/dbraw/zinc/09/72/60/355097260.db2.gz IGLRAPYLOKYOIF-HZMBPMFUSA-N 1 0 305.334 1.380 20 5 DDBDRO CC[C@@H](C)[NH+]1CCN(c2cc(N)c([N+](=O)[O-])c(CO)c2)CC1 ZINC000590725994 355156763 /nfs/dbraw/zinc/15/67/63/355156763.db2.gz GUMRVYUOWMUNKY-LLVKDONJSA-N 1 0 308.382 1.590 20 5 DDBDRO O=[N+]([O-])c1cc2c(cc1CNC[C@H]1CCCC[NH2+]1)OCCO2 ZINC000591275551 355275318 /nfs/dbraw/zinc/27/53/18/355275318.db2.gz AGENYFZBBJFXGU-GFCCVEGCSA-N 1 0 307.350 1.598 20 5 DDBDRO O=[N+]([O-])c1cnc(N2CC[NH+](C[C@@H]3CCOC3)CC2)c(F)c1 ZINC000591150280 355255502 /nfs/dbraw/zinc/25/55/02/355255502.db2.gz UEEDRPDEBHNBPQ-NSHDSACASA-N 1 0 310.329 1.287 20 5 DDBDRO CC[C@@H]1CN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC[C@@H]1[NH3+] ZINC000591347043 355294503 /nfs/dbraw/zinc/29/45/03/355294503.db2.gz GRGKQIRXYVFXAB-HIFRSBDPSA-N 1 0 320.393 1.906 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000591288799 355280064 /nfs/dbraw/zinc/28/00/64/355280064.db2.gz PBGDYSAVWUEUEM-YPMHNXCESA-N 1 0 322.365 1.792 20 5 DDBDRO C[C@H](C[C@@H]1CCCO1)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000591734392 355374914 /nfs/dbraw/zinc/37/49/14/355374914.db2.gz SMFZUNCPFFIDRV-MCIONIFRSA-N 1 0 324.377 1.882 20 5 DDBDRO COC(=O)c1cc(C(=O)N[C@@H]2CCC[NH2+]CC2)cc([N+](=O)[O-])c1 ZINC000592331210 355561171 /nfs/dbraw/zinc/56/11/71/355561171.db2.gz YAFNFWCFZDLKNG-GFCCVEGCSA-N 1 0 321.333 1.253 20 5 DDBDRO CCCN(C(=O)Nc1ccncc1[N+](=O)[O-])[C@H]1CC[N@H+](C)C1 ZINC000592247155 355546827 /nfs/dbraw/zinc/54/68/27/355546827.db2.gz SJQGRYPDKDTFAQ-NSHDSACASA-N 1 0 307.354 1.360 20 5 DDBDRO [NH3+]C1(CC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)CCC1 ZINC000592277690 355552441 /nfs/dbraw/zinc/55/24/41/355552441.db2.gz YQHMPGUYPAGXJZ-UHFFFAOYSA-N 1 0 307.354 1.226 20 5 DDBDRO C[C@H]([NH3+])CNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000592333826 355562053 /nfs/dbraw/zinc/56/20/53/355562053.db2.gz UGZHHVFBHFNCGK-ZETCQYMHSA-N 1 0 321.255 1.613 20 5 DDBDRO CC1(C)[C@@H](O)C[C@@H]1[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000592432484 355581836 /nfs/dbraw/zinc/58/18/36/355581836.db2.gz KHHSWRWCGOXPAE-STQMWFEESA-N 1 0 307.350 1.672 20 5 DDBDRO COC(=O)[C@H]1C[NH2+]CCCN1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000592434663 355584049 /nfs/dbraw/zinc/58/40/49/355584049.db2.gz LSZXHHJRUAVVLR-CQSZACIVSA-N 1 0 307.350 1.240 20 5 DDBDRO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NC[C@@H]1CCCC[NH2+]1 ZINC000592440788 355585329 /nfs/dbraw/zinc/58/53/29/355585329.db2.gz XHRBZOXNTIATOA-ZDUSSCGKSA-N 1 0 316.361 1.808 20 5 DDBDRO O=[N+]([O-])c1cc2c(c(-c3nc([C@@H]4CCC[NH2+]4)no3)c1)OCCO2 ZINC000592356662 355565774 /nfs/dbraw/zinc/56/57/74/355565774.db2.gz CNPYKBYFRXLKSQ-JTQLQIEISA-N 1 0 318.289 1.841 20 5 DDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000592398810 355575655 /nfs/dbraw/zinc/57/56/55/355575655.db2.gz UNEJWTQSRDMZOS-NXEZZACHSA-N 1 0 315.395 1.561 20 5 DDBDRO CC[C@H]1C[N@H+](C)CCN1C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593165858 355815715 /nfs/dbraw/zinc/81/57/15/355815715.db2.gz WTWAQKDXYUUNKS-ZDUSSCGKSA-N 1 0 309.341 1.829 20 5 DDBDRO C[NH+](C)CC[C@H](N)C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000593910345 356054824 /nfs/dbraw/zinc/05/48/24/356054824.db2.gz UGBTZZNMRQBQKR-ZDUSSCGKSA-N 1 0 308.382 1.225 20 5 DDBDRO Cc1cc(OCC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000594103107 356114465 /nfs/dbraw/zinc/11/44/65/356114465.db2.gz VWGPNYLKKFFOHP-BETUJISGSA-N 1 0 321.377 1.738 20 5 DDBDRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc([N+](=O)[O-])cn1 ZINC000594195394 356136188 /nfs/dbraw/zinc/13/61/88/356136188.db2.gz GKRZYTBDVXILAL-OCCSQVGLSA-N 1 0 304.350 1.737 20 5 DDBDRO O=C([C@@H]1C[C@]12CCC[NH2+]C2)N1CCc2c1cccc2[N+](=O)[O-] ZINC000594447924 356219693 /nfs/dbraw/zinc/21/96/93/356219693.db2.gz XVMSGUPIGLGNNN-LRDDRELGSA-N 1 0 301.346 1.874 20 5 DDBDRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000594418785 356203798 /nfs/dbraw/zinc/20/37/98/356203798.db2.gz LAWMUTVBSARCJC-RYUDHWBXSA-N 1 0 320.349 1.442 20 5 DDBDRO Nc1c(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cccc1[N+](=O)[O-] ZINC000594419169 356204582 /nfs/dbraw/zinc/20/45/82/356204582.db2.gz OJMRLSQAHZWMIK-CHWSQXEVSA-N 1 0 318.377 1.924 20 5 DDBDRO COc1c(C)cccc1C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000594576847 356254152 /nfs/dbraw/zinc/25/41/52/356254152.db2.gz BJEFOXIOABCHOY-CQSZACIVSA-N 1 0 320.349 1.259 20 5 DDBDRO C[C@H](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000594816772 356326488 /nfs/dbraw/zinc/32/64/88/356326488.db2.gz LBAYJYHSMAMJDF-SNVBAGLBSA-N 1 0 301.368 1.213 20 5 DDBDRO COCCC1C[NH+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000594717707 356295481 /nfs/dbraw/zinc/29/54/81/356295481.db2.gz FIQQYTRVADHAHO-AWEZNQCLSA-N 1 0 310.350 1.303 20 5 DDBDRO CCN1C[C@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2OC)CC1=O ZINC000595041608 356376061 /nfs/dbraw/zinc/37/60/61/356376061.db2.gz MLGYFVLRMDAZHX-WDEREUQCSA-N 1 0 307.350 1.875 20 5 DDBDRO Cc1ccc(NC(=O)C(=O)NCC2([NH3+])CCCC2)cc1[N+](=O)[O-] ZINC000595242317 356415418 /nfs/dbraw/zinc/41/54/18/356415418.db2.gz SMJBHMIXMCHUHK-UHFFFAOYSA-N 1 0 320.349 1.229 20 5 DDBDRO C[C@@H]1CCCN(C(=O)Cn2ccc([N+](=O)[O-])n2)[C@@H]1CCC[NH3+] ZINC000595258102 356422907 /nfs/dbraw/zinc/42/29/07/356422907.db2.gz JHRCARFNFXOMQQ-VXGBXAGGSA-N 1 0 309.370 1.157 20 5 DDBDRO COc1ccc(CC(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000595260516 356423876 /nfs/dbraw/zinc/42/38/76/356423876.db2.gz AMGMMUYAWQWUKL-GHMZBOCLSA-N 1 0 311.313 1.044 20 5 DDBDRO C[C@@H](NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)c1nccn1C ZINC000595381991 356473056 /nfs/dbraw/zinc/47/30/56/356473056.db2.gz AVGSZRIUKRUTFZ-SNVBAGLBSA-N 1 0 324.362 1.509 20 5 DDBDRO CN(C(=O)C[NH2+]C1(CCO)CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000595508115 356524470 /nfs/dbraw/zinc/52/44/70/356524470.db2.gz HVVWBQWRCQEFET-UHFFFAOYSA-N 1 0 321.377 1.842 20 5 DDBDRO NC(=O)NC1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000081540479 192286517 /nfs/dbraw/zinc/28/65/17/192286517.db2.gz DADGNUZKYQVLQP-UHFFFAOYSA-N 1 0 308.338 1.106 20 5 DDBDRO COc1cc(CN2CCC[C@H](C[NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000347114518 283183296 /nfs/dbraw/zinc/18/32/96/283183296.db2.gz TYLVPUKESLJKPL-LLVKDONJSA-N 1 0 309.366 1.783 20 5 DDBDRO COc1cccc(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)c1[N+](=O)[O-] ZINC000618210177 363513047 /nfs/dbraw/zinc/51/30/47/363513047.db2.gz SGKBATBAXXJYOA-GFCCVEGCSA-N 1 0 319.361 1.818 20 5 DDBDRO C[C@@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H](C)[C@H]1O ZINC000595745441 356632074 /nfs/dbraw/zinc/63/20/74/356632074.db2.gz TYLNYHFXEJEEMN-MSRIBSCDSA-N 1 0 307.350 1.142 20 5 DDBDRO C[C@@H]1CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000595780370 356649971 /nfs/dbraw/zinc/64/99/71/356649971.db2.gz JMBAMDRQYWRXEN-RDBSUJKOSA-N 1 0 324.377 1.834 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CC[C@H]2COC[C@H]2C1 ZINC000595836994 356672681 /nfs/dbraw/zinc/67/26/81/356672681.db2.gz ZQIPEGFZQVMEAB-BFHYXJOUSA-N 1 0 322.361 1.303 20 5 DDBDRO Cc1nn(C)c(C(=O)N2CCC[C@@H](C)[C@H]2CCC[NH3+])c1[N+](=O)[O-] ZINC000595973833 356731897 /nfs/dbraw/zinc/73/18/97/356731897.db2.gz PHPPTJLKPMTJQR-ZYHUDNBSSA-N 1 0 323.397 1.616 20 5 DDBDRO CC1(C)CC[NH2+][C@H]1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000595937517 356712686 /nfs/dbraw/zinc/71/26/86/356712686.db2.gz VRMWQHOQQPEESZ-ZDUSSCGKSA-N 1 0 307.350 1.478 20 5 DDBDRO CC[NH+](CC)CCO[C@@H]1CCN(c2ccc(N)c([N+](=O)[O-])n2)C1 ZINC000596153806 356793780 /nfs/dbraw/zinc/79/37/80/356793780.db2.gz XEMMLHMWUMEJJW-GFCCVEGCSA-N 1 0 323.397 1.509 20 5 DDBDRO CS[C@H]1CN(c2ccc(N)c([N+](=O)[O-])n2)C[C@H]1[NH+]1CCCC1 ZINC000596194922 356809520 /nfs/dbraw/zinc/80/95/20/356809520.db2.gz IHJJXTPRKLLWGV-NEPJUHHUSA-N 1 0 323.422 1.588 20 5 DDBDRO C[N@@H+]1CCC[C@]2(CCN(c3ccc([N+](=O)[O-])c(C(N)=O)c3)C2)C1 ZINC000596242837 356829734 /nfs/dbraw/zinc/82/97/34/356829734.db2.gz ARNHOWRHHKRLGP-INIZCTEOSA-N 1 0 318.377 1.616 20 5 DDBDRO CC(C)[C@H]1C[N@H+](C)CCN1c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596134001 356785506 /nfs/dbraw/zinc/78/55/06/356785506.db2.gz BSUIZJBFIPJYAB-CQSZACIVSA-N 1 0 306.366 1.470 20 5 DDBDRO CCOC(=O)c1cc(C(=O)N2CCC[NH2+]CC2)cc([N+](=O)[O-])c1 ZINC000347528114 283225906 /nfs/dbraw/zinc/22/59/06/283225906.db2.gz YMOPMFMBMBHJCD-UHFFFAOYSA-N 1 0 321.333 1.207 20 5 DDBDRO CCn1nc(C)c([N+](=O)[O-])c1NCCN(C)CCC[NH+](C)C ZINC000596423734 356874582 /nfs/dbraw/zinc/87/45/82/356874582.db2.gz AXUFPIQMFQUWFM-UHFFFAOYSA-N 1 0 312.418 1.415 20 5 DDBDRO O=[N+]([O-])c1cnc(N2CCC([N@@H+]3CCCOCC3)CC2)c(F)c1 ZINC000596268438 356839018 /nfs/dbraw/zinc/83/90/18/356839018.db2.gz KKTZFWVCPFXQDL-UHFFFAOYSA-N 1 0 324.356 1.820 20 5 DDBDRO CCC[N@@H+]1CC[C@@H](Nc2ncc(C(=O)OC)cc2[N+](=O)[O-])C1 ZINC000596517345 356903107 /nfs/dbraw/zinc/90/31/07/356903107.db2.gz NQNOLCCVRDPQSX-LLVKDONJSA-N 1 0 308.338 1.673 20 5 DDBDRO C[C@@H](CNC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N)[NH+](C)C ZINC000597090206 357058793 /nfs/dbraw/zinc/05/87/93/357058793.db2.gz JJCMDYISHXHIPI-ZETCQYMHSA-N 1 0 315.761 1.902 20 5 DDBDRO C[C@@]1(NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC[NH2+]C1 ZINC000597430873 357173372 /nfs/dbraw/zinc/17/33/72/357173372.db2.gz ARIPNXSDYXHESA-MRXNPFEDSA-N 1 0 320.393 1.969 20 5 DDBDRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000597534493 357213029 /nfs/dbraw/zinc/21/30/29/357213029.db2.gz NGRMQEWDIOUDPQ-GHMZBOCLSA-N 1 0 321.333 1.536 20 5 DDBDRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000597925376 357384969 /nfs/dbraw/zinc/38/49/69/357384969.db2.gz NXYYDEWXWOKXEJ-LBPRGKRZSA-N 1 0 321.377 1.963 20 5 DDBDRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000597920398 357381376 /nfs/dbraw/zinc/38/13/76/357381376.db2.gz BEPWIOJUEBWBCR-NSHDSACASA-N 1 0 323.397 1.515 20 5 DDBDRO CCC[N@@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC)C1 ZINC000598342081 357543792 /nfs/dbraw/zinc/54/37/92/357543792.db2.gz DKUPRFKMUXLSFR-NSHDSACASA-N 1 0 307.350 1.818 20 5 DDBDRO CCC[N@H+](C)CC(C)(C)NC(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000598465686 357593347 /nfs/dbraw/zinc/59/33/47/357593347.db2.gz IHONGSGCKPZZRE-UHFFFAOYSA-N 1 0 311.386 1.487 20 5 DDBDRO Cc1ccc(S(=O)(=O)N[C@H](C)CC[NH3+])c(C)c1[N+](=O)[O-] ZINC000598715914 357701574 /nfs/dbraw/zinc/70/15/74/357701574.db2.gz UXRWBRUQGYXUDC-SECBINFHSA-N 1 0 301.368 1.227 20 5 DDBDRO COc1cc(CN2C[C@@H]3CCC[C@]3([NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000598720715 357703011 /nfs/dbraw/zinc/70/30/11/357703011.db2.gz RKSYDBKDLHQUFX-LRDDRELGSA-N 1 0 321.377 1.925 20 5 DDBDRO CO[C@H]1C[C@@H](C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000599017379 357795489 /nfs/dbraw/zinc/79/54/89/357795489.db2.gz POVPHKKBPQSPSC-KLPPZKSPSA-N 1 0 308.334 1.881 20 5 DDBDRO CN1CCOC[C@H]1C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000599076041 357808341 /nfs/dbraw/zinc/80/83/41/357808341.db2.gz BOEGFINYKADNFP-HZPDHXFCSA-N 1 0 319.405 1.836 20 5 DDBDRO CC1(C)C[C@@H]([NH2+]CCN2CC[C@@H](O)C2)c2cc([N+](=O)[O-])ccc21 ZINC000599086207 357810896 /nfs/dbraw/zinc/81/08/96/357810896.db2.gz ZJDMZVLBZNWJNP-CZUORRHYSA-N 1 0 319.405 1.973 20 5 DDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000599106137 357817419 /nfs/dbraw/zinc/81/74/19/357817419.db2.gz SIWULRROSSDRNZ-GXSJLCMTSA-N 1 0 313.379 1.322 20 5 DDBDRO C[NH+](C)Cc1ccccc1CNC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000179272033 199008014 /nfs/dbraw/zinc/00/80/14/199008014.db2.gz NWJGSVZAYKQJOT-UHFFFAOYSA-N 1 0 303.322 1.310 20 5 DDBDRO COC(=O)[C@@]1(OC)CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000599564202 357974700 /nfs/dbraw/zinc/97/47/00/357974700.db2.gz QKSDMZUNEGBPCA-OAHLLOKOSA-N 1 0 324.333 1.238 20 5 DDBDRO CC1(C)CCC[C@](CO)([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000599596587 357986846 /nfs/dbraw/zinc/98/68/46/357986846.db2.gz STHCOZWWMYYCFD-INIZCTEOSA-N 1 0 323.393 1.677 20 5 DDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCCOCCC[NH3+] ZINC000599606290 357990419 /nfs/dbraw/zinc/99/04/19/357990419.db2.gz VDJUZLSZCKQBJS-UHFFFAOYSA-N 1 0 310.354 1.644 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000599694162 358028801 /nfs/dbraw/zinc/02/88/01/358028801.db2.gz DVTVBAUDVMXYLP-GFCCVEGCSA-N 1 0 308.338 1.091 20 5 DDBDRO O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)Nc1ccncc1[N+](=O)[O-] ZINC000599766051 358052976 /nfs/dbraw/zinc/05/29/76/358052976.db2.gz IJLOXWIFIPVZJX-LBPRGKRZSA-N 1 0 319.365 1.550 20 5 DDBDRO Cc1c(NC(=O)C(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)cccc1[N+](=O)[O-] ZINC000599895516 358076708 /nfs/dbraw/zinc/07/67/08/358076708.db2.gz GVDGPJCVWDGQJU-KOLCDFICSA-N 1 0 320.349 1.098 20 5 DDBDRO C[N@@H+]1CCCC[C@H](CNC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000600311726 358192238 /nfs/dbraw/zinc/19/22/38/358192238.db2.gz QRPZFZFSNXHGLP-CYBMUJFWSA-N 1 0 321.377 1.822 20 5 DDBDRO C[C@]12C[NH2+]C[C@@]1(C)CN(CCOc1ccccc1[N+](=O)[O-])C2 ZINC000600745850 358306030 /nfs/dbraw/zinc/30/60/30/358306030.db2.gz HVIQRMNJERAICK-IYBDPMFKSA-N 1 0 305.378 1.905 20 5 DDBDRO C[C@@H](C[NH3+])CNC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000237379922 202250434 /nfs/dbraw/zinc/25/04/34/202250434.db2.gz QMUPFYDBBUYMDA-JTQLQIEISA-N 1 0 317.349 1.320 20 5 DDBDRO C[N@H+](CC(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21)C1CCC1 ZINC000600819485 358325027 /nfs/dbraw/zinc/32/50/27/358325027.db2.gz HBMXNGVBRWKOKC-UHFFFAOYSA-N 1 0 303.322 1.894 20 5 DDBDRO CCC1([NH+](C)C)CCN(C(=O)c2c([N+](=O)[O-])cnn2C)CC1 ZINC000601791150 358696809 /nfs/dbraw/zinc/69/68/09/358696809.db2.gz HJYCFEMHKQDFKP-UHFFFAOYSA-N 1 0 309.370 1.275 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CC(c3ccccc3)C2)c1 ZINC000601965237 358755981 /nfs/dbraw/zinc/75/59/81/358755981.db2.gz RZQPUJJZOWDFAF-HNNXBMFYSA-N 1 0 302.334 1.252 20 5 DDBDRO C[NH+](C)CC1(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000602096241 358811007 /nfs/dbraw/zinc/81/10/07/358811007.db2.gz IHKBNRDIAOHSMH-UHFFFAOYSA-N 1 0 307.350 1.432 20 5 DDBDRO C[NH+](C)CC1(C(=O)NCCNc2ccccc2[N+](=O)[O-])CC1 ZINC000602045229 358789600 /nfs/dbraw/zinc/78/96/00/358789600.db2.gz MASOTFUCUNSYSD-UHFFFAOYSA-N 1 0 306.366 1.465 20 5 DDBDRO CC(C)(C[NH+]1CCOCC1)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000602084822 358805869 /nfs/dbraw/zinc/80/58/69/358805869.db2.gz LJXWNEUIZKEJCJ-UHFFFAOYSA-N 1 0 321.377 1.569 20 5 DDBDRO CNc1c(C(=O)N[C@H]2C[C@@H]([NH+]3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000602167624 358859740 /nfs/dbraw/zinc/85/97/40/358859740.db2.gz OVCLQTPLKPIYJL-TXEJJXNPSA-N 1 0 318.377 1.993 20 5 DDBDRO CC[NH2+]CCNC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000602429086 358970954 /nfs/dbraw/zinc/97/09/54/358970954.db2.gz RKDUPZSAJLRBJQ-UHFFFAOYSA-N 1 0 316.155 1.697 20 5 DDBDRO O=C(COc1cccc([N+](=O)[O-])c1)N[C@H]1CC[NH2+]C12CCC2 ZINC000602534948 359032768 /nfs/dbraw/zinc/03/27/68/359032768.db2.gz WHJZZHDGDLDULG-ZDUSSCGKSA-N 1 0 305.334 1.374 20 5 DDBDRO CC(C)[C@H](O)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602545605 359037157 /nfs/dbraw/zinc/03/71/57/359037157.db2.gz GVAFKMFZSXTHEZ-CQSZACIVSA-N 1 0 308.382 1.565 20 5 DDBDRO COC(C)(C)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602563502 359046493 /nfs/dbraw/zinc/04/64/93/359046493.db2.gz XHUZXLITCRGLOX-UHFFFAOYSA-N 1 0 308.382 1.973 20 5 DDBDRO C[NH2+]CCOCCNC(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000602563008 359046637 /nfs/dbraw/zinc/04/66/37/359046637.db2.gz JPLFLRSFSLHIFT-UHFFFAOYSA-N 1 0 313.379 1.283 20 5 DDBDRO CCCn1ccnc1CCC[N@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602661863 359108139 /nfs/dbraw/zinc/10/81/39/359108139.db2.gz HHVJIYNZHVDLKE-UHFFFAOYSA-N 1 0 320.397 1.999 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+]C1(CO)Cc2ccccc2C1 ZINC000602788869 359193113 /nfs/dbraw/zinc/19/31/13/359193113.db2.gz WNIJIEWUCJLVPF-UHFFFAOYSA-N 1 0 316.361 1.219 20 5 DDBDRO Cn1cc(CCC[NH2+][C@](C)(CO)c2cccc([N+](=O)[O-])c2)cn1 ZINC000602734061 359155327 /nfs/dbraw/zinc/15/53/27/359155327.db2.gz XQTLRFMBEUYRRB-MRXNPFEDSA-N 1 0 318.377 1.758 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](C(C)C)[C@@H](CO)C(C)C ZINC000602843522 359232468 /nfs/dbraw/zinc/23/24/68/359232468.db2.gz WUAHSFKIACGHIK-ZFWWWQNUSA-N 1 0 312.414 1.978 20 5 DDBDRO CC[C@@H]1C(=O)N(CC)CCN1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602810462 359207049 /nfs/dbraw/zinc/20/70/49/359207049.db2.gz GAKFTAQKYFDCMY-GFCCVEGCSA-N 1 0 309.370 1.042 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CCN1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000602827640 359221340 /nfs/dbraw/zinc/22/13/40/359221340.db2.gz MIWTXWBLDBNXDC-TZMCWYRMSA-N 1 0 307.398 1.658 20 5 DDBDRO COc1ccc(Cn2cc(C[C@H]3CC[NH2+]C3)nn2)cc1[N+](=O)[O-] ZINC000603206732 359481072 /nfs/dbraw/zinc/48/10/72/359481072.db2.gz UYWIMYMUEWXQCZ-LLVKDONJSA-N 1 0 317.349 1.395 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCC[N@@H+]1CCCOCC1 ZINC000187407000 200107950 /nfs/dbraw/zinc/10/79/50/200107950.db2.gz XTYFDAKTVMXVLA-UHFFFAOYSA-N 1 0 322.365 1.747 20 5 DDBDRO C[NH+](C)CCn1cc(NC(=O)c2cccc([N+](=O)[O-])c2)cn1 ZINC000604511304 359759081 /nfs/dbraw/zinc/75/90/81/359759081.db2.gz RYYCVOBIJWLEIP-UHFFFAOYSA-N 1 0 303.322 1.605 20 5 DDBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCC(C)(C)[NH3+] ZINC000237630441 202310333 /nfs/dbraw/zinc/31/03/33/202310333.db2.gz IUZXOSHUVRBGRP-QMMMGPOBSA-N 1 0 315.757 1.869 20 5 DDBDRO C[N@H+](CCNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)C1CCCC1 ZINC000188424279 200244098 /nfs/dbraw/zinc/24/40/98/200244098.db2.gz YZWUJQAUIWEGFR-UHFFFAOYSA-N 1 0 308.338 1.300 20 5 DDBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](C)C(=O)N(C)C ZINC000189005103 200333974 /nfs/dbraw/zinc/33/39/74/200333974.db2.gz MXMUNAPCPSCMLY-QWRGUYRKSA-N 1 0 322.365 1.378 20 5 DDBDRO COCCC[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])cn2C)CC1 ZINC000608891334 360251425 /nfs/dbraw/zinc/25/14/25/360251425.db2.gz JYPMGJGFBRHBGX-UHFFFAOYSA-N 1 0 324.381 1.164 20 5 DDBDRO C[NH+](C)C[C@H]1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000609619914 360336159 /nfs/dbraw/zinc/33/61/59/360336159.db2.gz KBGSUPHIJJKIBZ-GFCCVEGCSA-N 1 0 306.366 1.417 20 5 DDBDRO COc1ccc(C)cc1C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000610335784 360415866 /nfs/dbraw/zinc/41/58/66/360415866.db2.gz NTEHAKSXPWIHGY-AWEZNQCLSA-N 1 0 320.349 1.259 20 5 DDBDRO C[C@@H](C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)[NH+](C)C ZINC000610569906 360472670 /nfs/dbraw/zinc/47/26/70/360472670.db2.gz IZTMLBAGCALGEA-LBPRGKRZSA-N 1 0 321.377 1.915 20 5 DDBDRO COC[C@H]1CCC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000610605356 360481090 /nfs/dbraw/zinc/48/10/90/360481090.db2.gz ZMHUPJLJGJBCGV-ZIAGYGMSSA-N 1 0 310.350 1.445 20 5 DDBDRO CC[N@@H+]1CCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000611092115 360621049 /nfs/dbraw/zinc/62/10/49/360621049.db2.gz JAESPISAXNWFTR-QWHCGFSZSA-N 1 0 320.393 1.948 20 5 DDBDRO C[NH2+]C[C@@H]1CCN(S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])C1 ZINC000071144989 283570349 /nfs/dbraw/zinc/57/03/49/283570349.db2.gz WYVDJOXAXNIBGS-NSHDSACASA-N 1 0 313.379 1.133 20 5 DDBDRO Nc1cc(N2CCC[C@H]([NH+]3CCCC3)C2)cc(CO)c1[N+](=O)[O-] ZINC000611525852 360748168 /nfs/dbraw/zinc/74/81/68/360748168.db2.gz XCYPEUYOSKHHPN-ZDUSSCGKSA-N 1 0 320.393 1.734 20 5 DDBDRO C[NH+](C)CCn1cc(NC(=O)c2c(N)cccc2[N+](=O)[O-])cn1 ZINC000611527153 360748196 /nfs/dbraw/zinc/74/81/96/360748196.db2.gz KAKOPWZKAARBKE-UHFFFAOYSA-N 1 0 318.337 1.187 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)n1 ZINC000611616204 360777534 /nfs/dbraw/zinc/77/75/34/360777534.db2.gz UMNVJDPGWVGCHQ-UONOGXRCSA-N 1 0 320.393 1.642 20 5 DDBDRO Cc1nccc(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])n1 ZINC000612030366 360894355 /nfs/dbraw/zinc/89/43/55/360894355.db2.gz JQEJFHJVYRIJGQ-ZDUSSCGKSA-N 1 0 318.333 1.223 20 5 DDBDRO C[N@H+]1CC=C(CNC(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000271896107 209305359 /nfs/dbraw/zinc/30/53/59/209305359.db2.gz FVSUGOFXKJUOIR-UHFFFAOYSA-N 1 0 323.324 1.491 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000193021614 200978443 /nfs/dbraw/zinc/97/84/43/200978443.db2.gz HVGSUDQNMQLZCE-NSHDSACASA-N 1 0 304.350 1.512 20 5 DDBDRO C[NH2+][C@@H]1CCCN(S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])C1 ZINC000053203112 283658917 /nfs/dbraw/zinc/65/89/17/283658917.db2.gz JKDDUQLLODIWAF-LLVKDONJSA-N 1 0 313.379 1.276 20 5 DDBDRO COc1cc(C(=O)N2CC[C@@H](C[NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000194501743 201240905 /nfs/dbraw/zinc/24/09/05/201240905.db2.gz GFUHDRUEURICIR-VIFPVBQESA-N 1 0 309.322 1.033 20 5 DDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195238442 201364151 /nfs/dbraw/zinc/36/41/51/201364151.db2.gz NCJWDEKXLCDSFA-PHIMTYICSA-N 1 0 309.753 1.469 20 5 DDBDRO Cc1cccc(C(=O)N2CCC[C@@](O)(C[NH+](C)C)C2)c1[N+](=O)[O-] ZINC000618924040 363803699 /nfs/dbraw/zinc/80/36/99/363803699.db2.gz OWTHCJPENJBDIR-MRXNPFEDSA-N 1 0 321.377 1.432 20 5 DDBDRO O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000566010616 304110316 /nfs/dbraw/zinc/11/03/16/304110316.db2.gz NYQRZKKUSRPTJE-MWLCHTKSSA-N 1 0 319.317 1.148 20 5 DDBDRO C[NH+]1CC2(C1)CCN(C(=O)c1n[nH]c3ccc([N+](=O)[O-])cc31)C2 ZINC000619251835 363945713 /nfs/dbraw/zinc/94/57/13/363945713.db2.gz RBIVSPIGTUVVGC-UHFFFAOYSA-N 1 0 315.333 1.249 20 5 DDBDRO CO[C@@H]1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)[C@@H](C[NH3+])C1 ZINC000359209181 299356223 /nfs/dbraw/zinc/35/62/23/299356223.db2.gz IJSZMNMYCBAZSC-HUUCEWRRSA-N 1 0 321.377 1.492 20 5 DDBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000288184247 220004839 /nfs/dbraw/zinc/00/48/39/220004839.db2.gz BSBPXEHBEWNVLH-WCQYABFASA-N 1 0 318.377 1.876 20 5 DDBDRO C[NH+](C)C[C@@H](NC(=O)c1[nH]ncc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000288187996 220006398 /nfs/dbraw/zinc/00/63/98/220006398.db2.gz NIDYBWUPSAVZGM-LLVKDONJSA-N 1 0 321.312 1.490 20 5 DDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@H](C)[NH2+]C)cc1OC ZINC000261854473 203134724 /nfs/dbraw/zinc/13/47/24/203134724.db2.gz XRPLBVOOCFCKCV-VIFPVBQESA-N 1 0 311.338 1.340 20 5 DDBDRO COc1cc(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)cc([N+](=O)[O-])c1OC ZINC000275105523 212123163 /nfs/dbraw/zinc/12/31/63/212123163.db2.gz DIBKDJYRAKXVGA-GXSJLCMTSA-N 1 0 323.349 1.340 20 5 DDBDRO COc1cc(C(=O)N[C@H]2C[NH2+]CC[C@H]2C)cc([N+](=O)[O-])c1OC ZINC000275105524 212122303 /nfs/dbraw/zinc/12/23/03/212122303.db2.gz DIBKDJYRAKXVGA-KOLCDFICSA-N 1 0 323.349 1.340 20 5 DDBDRO COc1ccc(C(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000261953410 203159832 /nfs/dbraw/zinc/15/98/32/203159832.db2.gz NKIXDSJBVMKDKW-CMPLNLGQSA-N 1 0 307.350 1.721 20 5 DDBDRO COC(=O)c1cc(NC(=O)[C@H]2CC[NH2+][C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000262327774 203263347 /nfs/dbraw/zinc/26/33/47/203263347.db2.gz DQQAOMMRFLUJRI-UWVGGRQHSA-N 1 0 321.333 1.708 20 5 DDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000359301721 299403726 /nfs/dbraw/zinc/40/37/26/299403726.db2.gz IBVUAALAKZKPGO-IJLUTSLNSA-N 1 0 304.350 1.073 20 5 DDBDRO Cc1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)c(N)c([N+](=O)[O-])c1 ZINC000262646338 203362907 /nfs/dbraw/zinc/36/29/07/203362907.db2.gz SSFJTOHLYYASAN-MNOVXSKESA-N 1 0 304.350 1.452 20 5 DDBDRO O=[N+]([O-])c1cnc(N2C[C@H]3C[NH2+]C[C@@H]3C2)c(Br)c1 ZINC000093434454 193250784 /nfs/dbraw/zinc/25/07/84/193250784.db2.gz DNUYIZSFKVFDCO-HTQZYQBOSA-N 1 0 313.155 1.408 20 5 DDBDRO CN(CC(C)(C)C[NH3+])S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000093873810 193321994 /nfs/dbraw/zinc/32/19/94/193321994.db2.gz BUVYCMMVPRGGES-UHFFFAOYSA-N 1 0 301.368 1.200 20 5 DDBDRO COC[C@@H](O)C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000265357570 204553573 /nfs/dbraw/zinc/55/35/73/204553573.db2.gz ALTCJMSLWBBKDG-ZDUSSCGKSA-N 1 0 323.374 1.815 20 5 DDBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CCn2ccnc2)n1 ZINC000351491442 284340864 /nfs/dbraw/zinc/34/08/64/284340864.db2.gz GXAHMTHUUKQDLM-OLZOCXBDSA-N 1 0 304.354 1.761 20 5 DDBDRO Cc1cc(S(=O)(=O)N[C@H](C)CC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000266142782 205132178 /nfs/dbraw/zinc/13/21/78/205132178.db2.gz DABQKSVYOYFNKP-LLVKDONJSA-N 1 0 315.395 1.522 20 5 DDBDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000266204802 205181368 /nfs/dbraw/zinc/18/13/68/205181368.db2.gz WTDJVJQJKRHEOX-GFCCVEGCSA-N 1 0 309.370 1.124 20 5 DDBDRO CC(C)[NH+](CCCNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)C(C)C ZINC000174098192 248356679 /nfs/dbraw/zinc/35/66/79/248356679.db2.gz AYPDLZHDANIBEY-UHFFFAOYSA-N 1 0 324.381 1.934 20 5 DDBDRO CC[NH+]1CCN(CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000041873581 183223594 /nfs/dbraw/zinc/22/35/94/183223594.db2.gz JMIKWEQIACILKG-UHFFFAOYSA-N 1 0 320.393 1.869 20 5 DDBDRO CN(C(=O)C[N@H+](C)C[C@H]1CCC[C@@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000159787324 197364445 /nfs/dbraw/zinc/36/44/45/197364445.db2.gz ROTUHNCMSRZPLI-DOMZBBRYSA-N 1 0 321.377 1.650 20 5 DDBDRO Cn1nccc1CC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000338546993 250024537 /nfs/dbraw/zinc/02/45/37/250024537.db2.gz PXUKNRUXCKGBFZ-LBPRGKRZSA-N 1 0 316.365 1.452 20 5 DDBDRO C[NH+](C)[C@@H]1CCCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000105177106 194081651 /nfs/dbraw/zinc/08/16/51/194081651.db2.gz NBTYYUMJGLGJLU-OAHLLOKOSA-N 1 0 320.393 1.873 20 5 DDBDRO CCOCC[NH+]1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000105831305 194140394 /nfs/dbraw/zinc/14/03/94/194140394.db2.gz TYWSLQPFHMIVCU-UHFFFAOYSA-N 1 0 323.393 1.628 20 5 DDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC1CCC([NH3+])CC1 ZINC000051693394 183834385 /nfs/dbraw/zinc/83/43/85/183834385.db2.gz HDBWLCRFKGZVON-UHFFFAOYSA-N 1 0 313.379 1.451 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[C@H]1CC[NH2+]C1 ZINC000110797409 194359404 /nfs/dbraw/zinc/35/94/04/194359404.db2.gz MTAQSWUIXFJGSZ-LLVKDONJSA-N 1 0 313.379 1.181 20 5 DDBDRO C[C@H](CNC(=O)CCOc1ccccc1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000057707203 184048167 /nfs/dbraw/zinc/04/81/67/184048167.db2.gz HQHWSDGEAUWCDK-GFCCVEGCSA-N 1 0 321.377 1.963 20 5 DDBDRO CN(C)CC[N@H+](C)CCCNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000341048160 251353668 /nfs/dbraw/zinc/35/36/68/251353668.db2.gz SILZHFLOGZNOID-UHFFFAOYSA-N 1 0 315.805 1.939 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCC[C@H](C)[NH3+])c1C ZINC000063170829 184275824 /nfs/dbraw/zinc/27/58/24/184275824.db2.gz AQDFTRWUFUEGSD-VIFPVBQESA-N 1 0 301.368 1.227 20 5 DDBDRO O=C(CC[NH2+]CC1=CCCOC1)Nc1ccccc1[N+](=O)[O-] ZINC000567707653 304235801 /nfs/dbraw/zinc/23/58/01/304235801.db2.gz ASMUARIFWFZVKN-UHFFFAOYSA-N 1 0 305.334 1.860 20 5 DDBDRO O=[N+]([O-])c1ccc(-c2noc(N3CC[C@@H]4[NH2+]CC[C@H]4C3)n2)cc1 ZINC000420264991 285106907 /nfs/dbraw/zinc/10/69/07/285106907.db2.gz VNOIHXWKDJTVCQ-AAEUAGOBSA-N 1 0 315.333 1.833 20 5 DDBDRO O=C(NC[C@H]1CC[NH2+]C1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000273003350 210381109 /nfs/dbraw/zinc/38/11/09/210381109.db2.gz HXFYZMDMDCCFEH-VIFPVBQESA-N 1 0 316.317 1.188 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@]3(C2)OCc2ccccc23)n1 ZINC000186710263 285168521 /nfs/dbraw/zinc/16/85/21/285168521.db2.gz NQLIWFXVMFZZMB-MRXNPFEDSA-N 1 0 314.345 1.923 20 5 DDBDRO CN(CC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000156917409 197150073 /nfs/dbraw/zinc/15/00/73/197150073.db2.gz OQSIWENMIHNDMJ-UHFFFAOYSA-N 1 0 302.334 1.777 20 5 DDBDRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000156410164 197111014 /nfs/dbraw/zinc/11/10/14/197111014.db2.gz HBILVGRNIPAJTR-VXGBXAGGSA-N 1 0 306.366 1.593 20 5 DDBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCC[C@@H]1O ZINC000352669323 285212387 /nfs/dbraw/zinc/21/23/87/285212387.db2.gz YUXSYXPHUOUBRE-KGLIPLIRSA-N 1 0 307.350 1.769 20 5 DDBDRO C[C@@H]1CN(C(=O)CCOc2ccccc2[N+](=O)[O-])[C@@H](C)C[N@@H+]1C ZINC000352798023 285307864 /nfs/dbraw/zinc/30/78/64/285307864.db2.gz WYQUJYBNQKUMCP-OLZOCXBDSA-N 1 0 321.377 1.915 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[NH2+]C(C)(C)C1 ZINC000417188706 533221382 /nfs/dbraw/zinc/22/13/82/533221382.db2.gz WEGHLKJPZJKBNR-UHFFFAOYSA-N 1 0 322.365 1.497 20 5 DDBDRO C[C@H]1C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCC1(F)F ZINC000289783077 221222297 /nfs/dbraw/zinc/22/22/97/221222297.db2.gz LVOHORSOVGMZFO-GXSJLCMTSA-N 1 0 304.297 1.129 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@H](O)Cn1ccnn1)CCC2 ZINC000414199939 224311612 /nfs/dbraw/zinc/31/16/12/224311612.db2.gz XBZXGUCBVKUGHF-ZFWWWQNUSA-N 1 0 317.349 1.214 20 5 DDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000290009678 221378153 /nfs/dbraw/zinc/37/81/53/221378153.db2.gz DRLKZRWATBTBEL-GFCCVEGCSA-N 1 0 318.377 1.639 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000414656463 533226811 /nfs/dbraw/zinc/22/68/11/533226811.db2.gz MXTWLUDYEMBJOU-ZJUUUORDSA-N 1 0 308.338 1.852 20 5 DDBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@H](CO)[C@@H]1CCCOC1 ZINC000414568975 224354759 /nfs/dbraw/zinc/35/47/59/224354759.db2.gz ZDXJJPZZOIKQIH-CDNPWBLBSA-N 1 0 306.362 1.985 20 5 DDBDRO C[C@H](NC(=O)N1CCO[C@H](C[NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC000417127827 533595052 /nfs/dbraw/zinc/59/50/52/533595052.db2.gz HAFBFVVFLLUPKP-GXFFZTMASA-N 1 0 308.338 1.025 20 5 DDBDRO COc1cc(C(=O)N[C@H]2C[NH2+]CC[C@H]2C)cc([N+](=O)[O-])c1C ZINC000423560581 533554228 /nfs/dbraw/zinc/55/42/28/533554228.db2.gz VBXXLLHXPVGBAU-SKDRFNHKSA-N 1 0 307.350 1.640 20 5 DDBDRO COc1ccc(CNC(=O)NC2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000417191595 533607135 /nfs/dbraw/zinc/60/71/35/533607135.db2.gz MOBYSFWDCSWMJL-UHFFFAOYSA-N 1 0 308.338 1.155 20 5 DDBDRO Cc1n[nH]c(C(=O)NC2CC[NH+](C(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000299521259 533663890 /nfs/dbraw/zinc/66/38/90/533663890.db2.gz JIIFGLZBAHYPST-UHFFFAOYSA-N 1 0 309.370 1.619 20 5 DDBDRO CC(C)[C@@H]([NH3+])C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000269042131 134412804 /nfs/dbraw/zinc/41/28/04/134412804.db2.gz DIESKWIUJKRNAC-CQSZACIVSA-N 1 0 306.366 1.227 20 5 DDBDRO CS[C@@H](C)C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000569450215 304354913 /nfs/dbraw/zinc/35/49/13/304354913.db2.gz WWKUFQOYDJJXCM-WDEREUQCSA-N 1 0 300.380 1.676 20 5 DDBDRO [NH3+]CCNC(=O)[C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000261624413 407558448 /nfs/dbraw/zinc/55/84/48/407558448.db2.gz CMOPVSBPHCRVIW-LBPRGKRZSA-N 1 0 324.356 1.021 20 5 DDBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001120526721 782003573 /nfs/dbraw/zinc/00/35/73/782003573.db2.gz BYJDLQPYNMPVJC-KWCYVHTRSA-N 1 0 304.350 1.329 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000414650532 286384373 /nfs/dbraw/zinc/38/43/73/286384373.db2.gz DHJDJUUJPGQJAH-LBPRGKRZSA-N 1 0 320.349 1.962 20 5 DDBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@]1([NH+](C)C)CCSC1 ZINC000360990197 299788128 /nfs/dbraw/zinc/78/81/28/299788128.db2.gz JNHCASGYNAQSFT-CYBMUJFWSA-N 1 0 313.427 1.969 20 5 DDBDRO Cc1c(NC(=O)CC[N@@H+]2CCC[C@@H]2C(N)=O)cccc1[N+](=O)[O-] ZINC000068369201 406637794 /nfs/dbraw/zinc/63/77/94/406637794.db2.gz PAINXGIISWQYDO-CYBMUJFWSA-N 1 0 320.349 1.182 20 5 DDBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@H]1CN1CCOCC1 ZINC000075890423 406945781 /nfs/dbraw/zinc/94/57/81/406945781.db2.gz HSFBBJLAPZRLPG-HNNXBMFYSA-N 1 0 305.378 1.891 20 5 DDBDRO [NH3+]C[C@@H]1CCCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000044528916 407024805 /nfs/dbraw/zinc/02/48/05/407024805.db2.gz VVHLPSZMYDJBRQ-LBPRGKRZSA-N 1 0 313.379 1.095 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000045084957 407038367 /nfs/dbraw/zinc/03/83/67/407038367.db2.gz LZNINGDSVMODIF-UHFFFAOYSA-N 1 0 318.377 1.999 20 5 DDBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@@H]2CCS(=O)(=O)C2)c1 ZINC000038083254 406999692 /nfs/dbraw/zinc/99/96/92/406999692.db2.gz QAFUYMOVXREHNJ-VIFPVBQESA-N 1 0 318.782 1.773 20 5 DDBDRO CC[NH+]1CCN(CC(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000048418582 407096785 /nfs/dbraw/zinc/09/67/85/407096785.db2.gz VRIZARXLWBSVCY-UHFFFAOYSA-N 1 0 306.366 1.479 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000046859979 407065431 /nfs/dbraw/zinc/06/54/31/407065431.db2.gz LXXZMRROCPLQCD-LLVKDONJSA-N 1 0 306.366 1.902 20 5 DDBDRO Cc1nn(C)c(C(=O)NCCC[N@H+]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000123689777 407336635 /nfs/dbraw/zinc/33/66/35/407336635.db2.gz XGHWPKDJYVCAMC-NSHDSACASA-N 1 0 323.397 1.631 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])c(=O)n(CC[NH+]2CCCCC2)c1 ZINC000124415419 407357472 /nfs/dbraw/zinc/35/74/72/407357472.db2.gz UOBBSXYEHMUQKN-UHFFFAOYSA-N 1 0 309.322 1.029 20 5 DDBDRO CCCc1n[nH]c(C(=O)N2CC[NH+](CC(C)C)CC2)c1[N+](=O)[O-] ZINC000109231911 407396241 /nfs/dbraw/zinc/39/62/41/407396241.db2.gz WTZDYLZVYGGMHL-UHFFFAOYSA-N 1 0 323.397 1.684 20 5 DDBDRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000261695182 407581152 /nfs/dbraw/zinc/58/11/52/407581152.db2.gz IUGYHNRMWCWOSX-IUCAKERBSA-N 1 0 303.322 1.280 20 5 DDBDRO O=[N+]([O-])c1ccn(CCN2CC[NH2+]C[C@H]2c2cccc(F)c2)n1 ZINC000261694042 407581493 /nfs/dbraw/zinc/58/14/93/407581493.db2.gz JDKBXOKYJMGCRM-AWEZNQCLSA-N 1 0 319.340 1.577 20 5 DDBDRO C[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C[C@H]1CCOC1 ZINC000178778208 407599293 /nfs/dbraw/zinc/59/92/93/407599293.db2.gz CFNWXVIPWOQQDO-GFCCVEGCSA-N 1 0 319.361 1.452 20 5 DDBDRO O=[N+]([O-])c1cccc(OCC[N@@H+](CCO)Cc2cccnc2)c1 ZINC000152330770 407612514 /nfs/dbraw/zinc/61/25/14/407612514.db2.gz ZHEXFYRGJTXZTK-UHFFFAOYSA-N 1 0 317.345 1.863 20 5 DDBDRO CN(C)[C@H](C(=O)NCCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000178837251 407619944 /nfs/dbraw/zinc/61/99/44/407619944.db2.gz OKLWPYPYEDSKEJ-AWEZNQCLSA-N 1 0 317.349 1.210 20 5 DDBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCC[NH2+]1 ZINC000178766400 407593013 /nfs/dbraw/zinc/59/30/13/407593013.db2.gz ZZUYAIFXOQTZRW-ZDUSSCGKSA-N 1 0 306.366 1.655 20 5 DDBDRO C[NH2+]C[C@@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000178992426 407685451 /nfs/dbraw/zinc/68/54/51/407685451.db2.gz MBFPAXMPFOMHKU-JTQLQIEISA-N 1 0 311.769 1.859 20 5 DDBDRO C[NH2+]C[C@@H]1CCN(C(=O)c2ccc(SC)c([N+](=O)[O-])c2)C1 ZINC000179004661 407688085 /nfs/dbraw/zinc/68/80/85/407688085.db2.gz ZWPDQEBQMNRNAE-JTQLQIEISA-N 1 0 309.391 1.998 20 5 DDBDRO O=[N+]([O-])c1ccccc1C[N@@H+](C[C@@H](O)Cn1cccn1)C1CC1 ZINC000179241507 407762640 /nfs/dbraw/zinc/76/26/40/407762640.db2.gz SXTLWBTXCUOJAA-OAHLLOKOSA-N 1 0 316.361 1.817 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCC(C)(C)C[NH+](C)C ZINC000132276909 407777240 /nfs/dbraw/zinc/77/72/40/407777240.db2.gz WXNJCSIEAIRCOG-UHFFFAOYSA-N 1 0 311.386 1.194 20 5 DDBDRO CN(CC(=O)N[C@H]1CCCC[C@@H]1C[NH3+])c1ccccc1[N+](=O)[O-] ZINC000237074741 407793837 /nfs/dbraw/zinc/79/38/37/407793837.db2.gz JXMMHEMKBDXTIO-OLZOCXBDSA-N 1 0 320.393 1.665 20 5 DDBDRO CC(C)C[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000179406918 407786800 /nfs/dbraw/zinc/78/68/00/407786800.db2.gz CDAZZXKONSLWFM-UHFFFAOYSA-N 1 0 301.368 1.119 20 5 DDBDRO Cc1nn(C)c(C(=O)N(C)CC2([NH+](C)C)CCC2)c1[N+](=O)[O-] ZINC000187023847 407812919 /nfs/dbraw/zinc/81/29/19/407812919.db2.gz RYAUNTLTJOVXOH-UHFFFAOYSA-N 1 0 309.370 1.193 20 5 DDBDRO C[C@@](C[NH3+])(NC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000237636345 407832012 /nfs/dbraw/zinc/83/20/12/407832012.db2.gz KGPLOOISXAAVHZ-MIOHMZDASA-N 1 0 307.325 1.991 20 5 DDBDRO CC[NH2+][C@H](C)CNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000262435487 407835035 /nfs/dbraw/zinc/83/50/35/407835035.db2.gz GDYNOSUPHGITCF-SNVBAGLBSA-N 1 0 301.368 1.180 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000268278945 407981569 /nfs/dbraw/zinc/98/15/69/407981569.db2.gz WUSBWOKCUIEELZ-ZWNOBZJWSA-N 1 0 321.381 1.089 20 5 DDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[NH2+][C@H](C)[C@@H]1C ZINC000262741495 407914475 /nfs/dbraw/zinc/91/44/75/407914475.db2.gz CHQOIWJCQSWVSN-MNOVXSKESA-N 1 0 313.379 1.274 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000272428625 407915015 /nfs/dbraw/zinc/91/50/15/407915015.db2.gz HJCOHNICAFFRFT-QWHCGFSZSA-N 1 0 321.381 1.042 20 5 DDBDRO CCc1n[nH]c(C(=O)N2CCCC[C@H]2C[NH+](C)C)c1[N+](=O)[O-] ZINC000188411537 407940423 /nfs/dbraw/zinc/94/04/23/407940423.db2.gz UPJAPNGNJONBDC-JTQLQIEISA-N 1 0 309.370 1.437 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000181992883 408062433 /nfs/dbraw/zinc/06/24/33/408062433.db2.gz SEJHFPFMMJRKGZ-BBRMVZONSA-N 1 0 322.361 1.447 20 5 DDBDRO Cc1n[nH]c(C(=O)NCC[C@H](C)[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000273169788 408091589 /nfs/dbraw/zinc/09/15/89/408091589.db2.gz DPZZSMHLQCOMOU-JTQLQIEISA-N 1 0 309.370 1.621 20 5 DDBDRO C[C@@]1(O)CCC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000182325378 408126222 /nfs/dbraw/zinc/12/62/22/408126222.db2.gz VCZWPRXSMCASAO-SWLSCSKDSA-N 1 0 310.350 1.181 20 5 DDBDRO CCN(CCC[NH+](C)C)c1ccc(C(=O)NC)cc1[N+](=O)[O-] ZINC000190291241 408214022 /nfs/dbraw/zinc/21/40/22/408214022.db2.gz VEMIBVLTPDQLKD-UHFFFAOYSA-N 1 0 308.382 1.732 20 5 DDBDRO C[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1nnc2ccccn21 ZINC000182670470 408217955 /nfs/dbraw/zinc/21/79/55/408217955.db2.gz NZJGTOFKMPUWNL-JTQLQIEISA-N 1 0 301.310 1.185 20 5 DDBDRO CC[C@H](CO)[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000182693905 408224761 /nfs/dbraw/zinc/22/47/61/408224761.db2.gz HZLZSBKYDJVYJE-CYBMUJFWSA-N 1 0 304.350 1.856 20 5 DDBDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2c([N+](=O)[O-])cnn2C)C1 ZINC000165302595 162160198 /nfs/dbraw/zinc/16/01/98/162160198.db2.gz QCKNEVVWNOROHP-NSHDSACASA-N 1 0 309.370 1.179 20 5 DDBDRO C[NH2+]CCCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000165826485 162162115 /nfs/dbraw/zinc/16/21/15/162162115.db2.gz KNDUPMIBRVQVQB-UHFFFAOYSA-N 1 0 316.155 1.697 20 5 DDBDRO C[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000274563469 408450654 /nfs/dbraw/zinc/45/06/54/408450654.db2.gz ABDTVZOOSJDCNS-OUCADQQQSA-N 1 0 310.350 1.349 20 5 DDBDRO COc1cc[nH+]c(N2CCN(c3c([N+](=O)[O-])ncn3C)CC2)c1 ZINC000264172220 408391262 /nfs/dbraw/zinc/39/12/62/408391262.db2.gz WWONMMKSAWOAHB-UHFFFAOYSA-N 1 0 318.337 1.059 20 5 DDBDRO C[C@H]1CC(O)C[C@H](C)[NH+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000191282790 408399231 /nfs/dbraw/zinc/39/92/31/408399231.db2.gz AIDGIAZWFVAULW-UWVGGRQHSA-N 1 0 307.350 1.427 20 5 DDBDRO [NH3+][C@@H]1CCCN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000191336593 408408117 /nfs/dbraw/zinc/40/81/17/408408117.db2.gz MGCDQROQIYVIOR-LLVKDONJSA-N 1 0 315.333 1.344 20 5 DDBDRO CCc1n[nH]c(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000176935072 408480484 /nfs/dbraw/zinc/48/04/84/408480484.db2.gz WLBDONHHXDRCQM-GXSJLCMTSA-N 1 0 309.370 1.339 20 5 DDBDRO COCC[N@@H+]1CC[C@H](NC(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000264472603 408503974 /nfs/dbraw/zinc/50/39/74/408503974.db2.gz GPGXIZHKFAEZRL-NSHDSACASA-N 1 0 311.313 1.184 20 5 DDBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C[C@H](O)C1CC1 ZINC000160834636 408529580 /nfs/dbraw/zinc/52/95/80/408529580.db2.gz QVYJPWWUFGRZFH-AWEZNQCLSA-N 1 0 307.350 1.626 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000177205401 408551121 /nfs/dbraw/zinc/55/11/21/408551121.db2.gz YFHHWYWDYAIPOT-MNOVXSKESA-N 1 0 319.361 1.958 20 5 DDBDRO C[C@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)[C@@H]1CCCO1 ZINC000248606186 408595784 /nfs/dbraw/zinc/59/57/84/408595784.db2.gz PDOQNCGMGYLTPF-CQDKDKBSSA-N 1 0 319.361 1.857 20 5 DDBDRO O=C(c1n[nH]cc1[N+](=O)[O-])N1CCC([NH+]2CCCCC2)CC1 ZINC000270641097 408613951 /nfs/dbraw/zinc/61/39/51/408613951.db2.gz GMGCBVSCFSMHID-UHFFFAOYSA-N 1 0 307.354 1.408 20 5 DDBDRO CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000192660809 408626252 /nfs/dbraw/zinc/62/62/52/408626252.db2.gz VVUVFHFFIKGMSZ-LBPRGKRZSA-N 1 0 313.379 1.357 20 5 DDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C[C@@H](C)[C@H]([NH+](C)C)C1 ZINC000270695039 408640611 /nfs/dbraw/zinc/64/06/11/408640611.db2.gz YTSAHZNCYKLPRT-LALPHHSUSA-N 1 0 320.393 1.804 20 5 DDBDRO CCCc1n[nH]c(C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000177562513 408656667 /nfs/dbraw/zinc/65/66/67/408656667.db2.gz HRIBHUNEUYLXSH-WDEREUQCSA-N 1 0 323.397 1.873 20 5 DDBDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000161979292 408658348 /nfs/dbraw/zinc/65/83/48/408658348.db2.gz UEKXWSFNNVYELS-ZDUSSCGKSA-N 1 0 323.397 1.562 20 5 DDBDRO COC[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(C)o1 ZINC000184641369 408660973 /nfs/dbraw/zinc/66/09/73/408660973.db2.gz PXIJZLONADHUBA-CHWSQXEVSA-N 1 0 324.337 1.031 20 5 DDBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000270761447 408670007 /nfs/dbraw/zinc/67/00/07/408670007.db2.gz MTKAFFZOLWEBHW-WDEREUQCSA-N 1 0 309.370 1.179 20 5 DDBDRO Cn1cc([N+](=O)[O-])c(C(=O)N2CC[NH+](CCC(C)(C)C)CC2)n1 ZINC000270904827 408734873 /nfs/dbraw/zinc/73/48/73/408734873.db2.gz ALBJBUHRTBYRNP-UHFFFAOYSA-N 1 0 323.397 1.522 20 5 DDBDRO C[C@H](O)C[N@@H+]1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000251950772 408791221 /nfs/dbraw/zinc/79/12/21/408791221.db2.gz VCEOYVBCGKHQMJ-STQMWFEESA-N 1 0 321.377 1.051 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000164563645 408801146 /nfs/dbraw/zinc/80/11/46/408801146.db2.gz DWCUXHPOLMRTLQ-STQMWFEESA-N 1 0 321.381 1.042 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000194926125 408805698 /nfs/dbraw/zinc/80/56/98/408805698.db2.gz JTGACNQMFOFVQJ-UHFFFAOYSA-N 1 0 323.397 1.479 20 5 DDBDRO CC[C@@H](C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[NH+](C)C ZINC000177966392 408746578 /nfs/dbraw/zinc/74/65/78/408746578.db2.gz MWBRPMNURYBQBT-HNNXBMFYSA-N 1 0 320.393 1.584 20 5 DDBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3N)CC[C@@H]21 ZINC000178004455 408754373 /nfs/dbraw/zinc/75/43/73/408754373.db2.gz TZQOQAHNUPGAFP-ABAIWWIYSA-N 1 0 318.377 1.733 20 5 DDBDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000185248016 162924906 /nfs/dbraw/zinc/92/49/06/162924906.db2.gz LJKCFSJDHWLBPH-NXEZZACHSA-N 1 0 307.354 1.175 20 5 DDBDRO COc1ccc(OCC[N@@H+]2CC[C@](C)(C(N)=O)C2)c([N+](=O)[O-])c1 ZINC000280832179 408842998 /nfs/dbraw/zinc/84/29/98/408842998.db2.gz WCHXAFPVEILBNA-HNNXBMFYSA-N 1 0 323.349 1.180 20 5 DDBDRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000277408766 408935151 /nfs/dbraw/zinc/93/51/51/408935151.db2.gz FFRJVSHJTNUYIC-RISCZKNCSA-N 1 0 305.378 1.987 20 5 DDBDRO C[N@@H+]1CC[C@]2(CCN(C(=O)COc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000292149106 408990043 /nfs/dbraw/zinc/99/00/43/408990043.db2.gz IKAJFCQOXIRWOH-INIZCTEOSA-N 1 0 319.361 1.528 20 5 DDBDRO C[C@H](O)C[NH+]1CCN(c2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000286773373 408999487 /nfs/dbraw/zinc/99/94/87/408999487.db2.gz IIWRXJOQOLPZHQ-VIFPVBQESA-N 1 0 323.378 1.102 20 5 DDBDRO CCCN(Cc1csc([N+](=O)[O-])c1)[C@@H]1CC(=O)N(C)C1=O ZINC000282417289 409050453 /nfs/dbraw/zinc/05/04/53/409050453.db2.gz GLYOXTYLDZZSOL-SNVBAGLBSA-N 1 0 311.363 1.626 20 5 DDBDRO CC1(C)C[C@@H]([NH2+]CCS(C)(=O)=O)c2cc([N+](=O)[O-])ccc21 ZINC000279008977 409130202 /nfs/dbraw/zinc/13/02/02/409130202.db2.gz GSFHKPGKJWHJCA-CYBMUJFWSA-N 1 0 312.391 1.951 20 5 DDBDRO CCN1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)[C@H](C)C1 ZINC000288418031 409165098 /nfs/dbraw/zinc/16/50/98/409165098.db2.gz MAAZIVJKWZGUCN-SNVBAGLBSA-N 1 0 317.349 1.637 20 5 DDBDRO Cc1ccc(C(=O)Nc2ccnn2CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000294020033 409226314 /nfs/dbraw/zinc/22/63/14/409226314.db2.gz JGMJSTFZTRKNNC-UHFFFAOYSA-N 1 0 317.349 1.914 20 5 DDBDRO Nc1c(C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)cccc1[N+](=O)[O-] ZINC000289206611 409233330 /nfs/dbraw/zinc/23/33/30/409233330.db2.gz KBUDMROXEQKVSR-HNNXBMFYSA-N 1 0 304.350 1.393 20 5 DDBDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000279380602 409203035 /nfs/dbraw/zinc/20/30/35/409203035.db2.gz HXGSBSHJLUFKRF-VHSXEESVSA-N 1 0 324.356 1.919 20 5 DDBDRO COc1ccc(C[NH2+]C[C@H](CO)[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000280315848 409291260 /nfs/dbraw/zinc/29/12/60/409291260.db2.gz OUWUNENRQDNYLV-CHWSQXEVSA-N 1 0 310.350 1.338 20 5 DDBDRO CC(C)(C[C@@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1)C(N)=O ZINC000295078595 409315303 /nfs/dbraw/zinc/31/53/03/409315303.db2.gz AXUBFDFPBBYUQA-LBPRGKRZSA-N 1 0 323.397 1.405 20 5 DDBDRO C[NH+](C)CCN(Cc1ccccc1)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000284990637 409391224 /nfs/dbraw/zinc/39/12/24/409391224.db2.gz CIMLLHLIOAHNHD-UHFFFAOYSA-N 1 0 317.349 1.522 20 5 DDBDRO Nc1ccc(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000317235065 164027421 /nfs/dbraw/zinc/02/74/21/164027421.db2.gz LOVKYIJEMQTMMS-VXGBXAGGSA-N 1 0 304.350 1.534 20 5 DDBDRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cc(F)ccc1[N+](=O)[O-] ZINC000321979921 164046257 /nfs/dbraw/zinc/04/62/57/164046257.db2.gz OZBQQPQKLNAFRU-VXGBXAGGSA-N 1 0 323.324 1.327 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000347020224 164098251 /nfs/dbraw/zinc/09/82/51/164098251.db2.gz SXRZVVPNQMEPHY-LBPRGKRZSA-N 1 0 319.361 1.912 20 5 DDBDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000357033735 164136863 /nfs/dbraw/zinc/13/68/63/164136863.db2.gz IAPOWWFQHOFVHW-VXGBXAGGSA-N 1 0 306.366 1.558 20 5 DDBDRO C[C@@H]1CN(C)CCN1C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000408113027 164232097 /nfs/dbraw/zinc/23/20/97/164232097.db2.gz PTELMGFNEXKVKT-SNVBAGLBSA-N 1 0 302.334 1.852 20 5 DDBDRO CN(CC[NH+](C)C)C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000295444327 409485262 /nfs/dbraw/zinc/48/52/62/409485262.db2.gz XLMKERTWGUUJEE-UHFFFAOYSA-N 1 0 307.350 1.578 20 5 DDBDRO CC[NH+](CC)[C@@H](C)CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000348864566 409562493 /nfs/dbraw/zinc/56/24/93/409562493.db2.gz QYHBKSXKPJZOKK-NSHDSACASA-N 1 0 311.386 1.373 20 5 DDBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@H](CO)C[NH+]1CCCCC1 ZINC000296420659 409541027 /nfs/dbraw/zinc/54/10/27/409541027.db2.gz SIHHVEYHMRMHMV-ZDUSSCGKSA-N 1 0 322.365 1.563 20 5 DDBDRO CC[N@@H+]1C[C@@H](C)N(c2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H]1C ZINC000345170678 409656343 /nfs/dbraw/zinc/65/63/43/409656343.db2.gz IVKJNMOZGWWJKW-WDEREUQCSA-N 1 0 306.366 1.613 20 5 DDBDRO CN(CC[NH+]1CCCC1)C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000331591778 409672316 /nfs/dbraw/zinc/67/23/16/409672316.db2.gz GODCBTSBHAYMNH-UHFFFAOYSA-N 1 0 321.333 1.491 20 5 DDBDRO CO[C@@]1(C)CCC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000331596389 409673546 /nfs/dbraw/zinc/67/35/46/409673546.db2.gz UCNSFDSJZCGBFG-KGLIPLIRSA-N 1 0 312.370 1.043 20 5 DDBDRO Cn1nc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000357056640 409823917 /nfs/dbraw/zinc/82/39/17/409823917.db2.gz XMWDZNTYLNPCIV-GFCCVEGCSA-N 1 0 321.381 1.419 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000332267396 410027638 /nfs/dbraw/zinc/02/76/38/410027638.db2.gz WFAYDROHHOJYDL-RYUDHWBXSA-N 1 0 304.350 1.976 20 5 DDBDRO C[N@@H+]1CCCN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000332278946 410035861 /nfs/dbraw/zinc/03/58/61/410035861.db2.gz HTRUPCMJPVLYHG-UHFFFAOYSA-N 1 0 313.304 1.580 20 5 DDBDRO COc1c(C(=O)NC[C@@H](C2CC2)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000354718661 410038072 /nfs/dbraw/zinc/03/80/72/410038072.db2.gz UQXQBDSUKNQZLG-ZDUSSCGKSA-N 1 0 307.350 1.673 20 5 DDBDRO Cc1nc([N+](=O)[O-])c(-c2noc(C34CCC[NH+]3CCC4)n2)n1C ZINC000351211588 410047734 /nfs/dbraw/zinc/04/77/34/410047734.db2.gz IIFGOVDOPLZQJA-UHFFFAOYSA-N 1 0 318.337 1.772 20 5 DDBDRO Cc1ccc(-c2noc([C@@H]3CN(C)CCO3)n2)cc1[N+](=O)[O-] ZINC000351194511 410044919 /nfs/dbraw/zinc/04/49/19/410044919.db2.gz PNZUQECITJFCFQ-LBPRGKRZSA-N 1 0 304.306 1.956 20 5 DDBDRO COc1cc(CN2CC[C@@H]([C@H](C)[NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000346647665 410056707 /nfs/dbraw/zinc/05/67/07/410056707.db2.gz BAFCOBNHKBBAFT-WDEREUQCSA-N 1 0 309.366 1.781 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@H]3CC[N@@H+](C)C[C@H]32)c1 ZINC000332336395 410077744 /nfs/dbraw/zinc/07/77/44/410077744.db2.gz VYAMZIJWPVXMIO-CABCVRRESA-N 1 0 319.361 1.448 20 5 DDBDRO CCN1CCN(c2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])[C@H](C)C1 ZINC000343274610 410298117 /nfs/dbraw/zinc/29/81/17/410298117.db2.gz RXHODGYHIYKQOH-LLVKDONJSA-N 1 0 322.365 1.615 20 5 DDBDRO COc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000347011792 410311664 /nfs/dbraw/zinc/31/16/64/410311664.db2.gz MLGILANBLTWHOU-ZDUSSCGKSA-N 1 0 319.361 1.912 20 5 DDBDRO Cc1nn(CCC(=O)N[C@@H]2CCC[N@H+](C)[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000343459882 410471673 /nfs/dbraw/zinc/47/16/73/410471673.db2.gz WTJNRUXNCSIALK-WCQYABFASA-N 1 0 323.397 1.397 20 5 DDBDRO C[C@@H]1C[C@@H](C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CC[NH2+]1 ZINC000358697948 410524301 /nfs/dbraw/zinc/52/43/01/410524301.db2.gz UPEFTYQBTHBNBI-YPMHNXCESA-N 1 0 303.362 1.868 20 5 DDBDRO C[N@H+]1CC=C(CNC(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 ZINC000343715717 410644351 /nfs/dbraw/zinc/64/43/51/410644351.db2.gz MTPURSZGIMUFMY-UHFFFAOYSA-N 1 0 318.377 1.698 20 5 DDBDRO C[C@@H]1CC[C@]2(CC[N@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)C1 ZINC000359555599 410726407 /nfs/dbraw/zinc/72/64/07/410726407.db2.gz KRSMRNGVPDYUGD-YUELXQCFSA-N 1 0 308.382 1.664 20 5 DDBDRO CS[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1[NH+](C)C ZINC000330500416 410730818 /nfs/dbraw/zinc/73/08/18/410730818.db2.gz OSJDYFNCPLIRIM-UONOGXRCSA-N 1 0 323.418 1.641 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)C1(CO)CC1 ZINC000353009595 410732227 /nfs/dbraw/zinc/73/22/27/410732227.db2.gz QYLFEVFGRIGELH-UHFFFAOYSA-N 1 0 307.350 1.689 20 5 DDBDRO Cc1ccnc(N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c1[N+](=O)[O-] ZINC000301250331 410685364 /nfs/dbraw/zinc/68/53/64/410685364.db2.gz BVLXVJYAUHBORM-AWEZNQCLSA-N 1 0 319.409 1.514 20 5 DDBDRO CC[NH+]1CCN([C@@H](C)CNc2ccc([N+](=O)[O-])c(C)n2)CC1 ZINC000301668474 410767459 /nfs/dbraw/zinc/76/74/59/410767459.db2.gz XVFGRAOKXSJOFA-LBPRGKRZSA-N 1 0 307.398 1.736 20 5 DDBDRO C[C@H]1CCC[C@H](C)[NH+]1CCNc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000347885060 410774867 /nfs/dbraw/zinc/77/48/67/410774867.db2.gz ZKLRCVGHKBUSOF-RYUDHWBXSA-N 1 0 318.381 2.312 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1CN1CC[N@H+](C[C@@H](C)O)C[C@@H]1C ZINC000337427435 410778248 /nfs/dbraw/zinc/77/82/48/410778248.db2.gz SWWNABANKIRICT-QWHCGFSZSA-N 1 0 323.393 1.490 20 5 DDBDRO CC[N@H+](CC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1)C1CC1 ZINC000359624972 410778359 /nfs/dbraw/zinc/77/83/59/410778359.db2.gz OSVBKCFUNAYEEZ-UHFFFAOYSA-N 1 0 319.361 1.800 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000330575854 410791025 /nfs/dbraw/zinc/79/10/25/410791025.db2.gz GEEHLZVIRMOIPO-STQMWFEESA-N 1 0 320.393 1.866 20 5 DDBDRO C[C@@H]1CN(C(=O)CCNc2ccccc2[N+](=O)[O-])[C@@H](C)C[N@@H+]1C ZINC000330579870 410795159 /nfs/dbraw/zinc/79/51/59/410795159.db2.gz IHOMCXCZHJJCMT-OLZOCXBDSA-N 1 0 320.393 1.948 20 5 DDBDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000348169606 410832800 /nfs/dbraw/zinc/83/28/00/410832800.db2.gz RZJGTOWDHNGONG-ZIAGYGMSSA-N 1 0 307.350 1.478 20 5 DDBDRO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000330647657 410847202 /nfs/dbraw/zinc/84/72/02/410847202.db2.gz ZRWQHQLOOIBENL-RYUDHWBXSA-N 1 0 307.350 1.525 20 5 DDBDRO COC[C@H](C)[NH2+]Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000353209170 410854920 /nfs/dbraw/zinc/85/49/20/410854920.db2.gz RKCHTUGXEAEXIW-JTQLQIEISA-N 1 0 312.322 1.271 20 5 DDBDRO COc1ccc(NC(=O)CN(C)[C@@H](C[NH3+])C2CC2)c([N+](=O)[O-])c1 ZINC000359984766 410983874 /nfs/dbraw/zinc/98/38/74/410983874.db2.gz MTPTWXZILAXJTB-AWEZNQCLSA-N 1 0 322.365 1.211 20 5 DDBDRO Cn1c(C(=O)NC[C@]2([NH+](C)C)CCSC2)ccc1[N+](=O)[O-] ZINC000331101959 410947236 /nfs/dbraw/zinc/94/72/36/410947236.db2.gz OZXLENIDUKCCJK-CYBMUJFWSA-N 1 0 312.395 1.100 20 5 DDBDRO CC[NH+]1CCC(Nc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CC1 ZINC000341350370 411018610 /nfs/dbraw/zinc/01/86/10/411018610.db2.gz NFBRXLHPQNICAJ-UHFFFAOYSA-N 1 0 317.349 2.140 20 5 DDBDRO Cc1cc(OCC(=O)N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000331208984 411020549 /nfs/dbraw/zinc/02/05/49/411020549.db2.gz WHJBVOMOGOBAQI-OLZOCXBDSA-N 1 0 321.377 1.833 20 5 DDBDRO CCCc1n[nH]c(C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000331241397 411035337 /nfs/dbraw/zinc/03/53/37/411035337.db2.gz NGEDMVUONDYAIN-JTQLQIEISA-N 1 0 309.370 1.437 20 5 DDBDRO COc1c(C(=O)NCC2=CC[N@H+](C)CC2)cccc1[N+](=O)[O-] ZINC000356672487 411120418 /nfs/dbraw/zinc/12/04/18/411120418.db2.gz KEGYBOKDXZMJIC-UHFFFAOYSA-N 1 0 305.334 1.595 20 5 DDBDRO [NH3+][C@H]1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000129377895 196043461 /nfs/dbraw/zinc/04/34/61/196043461.db2.gz HFBWGSUCFQGMGD-VIFPVBQESA-N 1 0 314.139 1.531 20 5 DDBDRO Cc1nn(C)c(C(=O)NC2CCC(C[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000129779081 196075984 /nfs/dbraw/zinc/07/59/84/196075984.db2.gz WHTUWSHWGKZLCD-UHFFFAOYSA-N 1 0 323.397 1.487 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCc3ccccc3[C@@H]2CO)n1 ZINC000130866360 196117241 /nfs/dbraw/zinc/11/72/41/196117241.db2.gz SOMAIPSBEVAFIL-AWEZNQCLSA-N 1 0 302.334 1.383 20 5 DDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@H](O)[C@H]2CCOC2)n1 ZINC000580519633 422937945 /nfs/dbraw/zinc/93/79/45/422937945.db2.gz OMWDSLCVYMFTBU-FQUUOJAGSA-N 1 0 324.381 1.262 20 5 DDBDRO COc1cccc([N+](=O)[O-])c1N1CC[NH+](C2CCOCC2)CC1 ZINC000580648787 422946600 /nfs/dbraw/zinc/94/66/00/422946600.db2.gz DKCQKYAQARQFCY-UHFFFAOYSA-N 1 0 321.377 1.904 20 5 DDBDRO COCC[N@H+](C)C[C@@H](O)CSc1ccc([N+](=O)[O-])cn1 ZINC000580660279 422947493 /nfs/dbraw/zinc/94/74/93/422947493.db2.gz YZHRIAPBYPRZAN-LLVKDONJSA-N 1 0 301.368 1.021 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000132332647 196246248 /nfs/dbraw/zinc/24/62/48/196246248.db2.gz GGUKFWDCEHVOKT-GHMZBOCLSA-N 1 0 313.379 1.261 20 5 DDBDRO COc1cc(NC[C@@](C)(O)C[NH+](C)C)c([N+](=O)[O-])cc1F ZINC000132958594 196299870 /nfs/dbraw/zinc/29/98/70/196299870.db2.gz KYOSQUVGSHKPSJ-CYBMUJFWSA-N 1 0 301.318 1.467 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCC(C)(C)[NH3+])c1C ZINC000133254064 196325158 /nfs/dbraw/zinc/32/51/58/196325158.db2.gz IUHABPGBAJNQLH-UHFFFAOYSA-N 1 0 301.368 1.227 20 5 DDBDRO Cc1ccc2c(c1)[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CC2 ZINC001120560706 782023219 /nfs/dbraw/zinc/02/32/19/782023219.db2.gz HRSDDWLYFMGWOE-GOEBONIOSA-N 1 0 316.361 1.738 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[C@H](C[NH3+])C1 ZINC000417179427 225234067 /nfs/dbraw/zinc/23/40/67/225234067.db2.gz FQDXHCYPIGMSFZ-SNVBAGLBSA-N 1 0 308.338 1.094 20 5 DDBDRO C[C@H]([NH2+]CCC(=O)N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000173337486 221778187 /nfs/dbraw/zinc/77/81/87/221778187.db2.gz ZMKHWHNRYQJGDO-LBPRGKRZSA-N 1 0 307.350 1.494 20 5 DDBDRO CNc1c(C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000360945990 418552214 /nfs/dbraw/zinc/55/22/14/418552214.db2.gz SUXNAGYZENRUNZ-ZWNOBZJWSA-N 1 0 318.377 1.849 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)n1 ZINC000191840314 222109570 /nfs/dbraw/zinc/10/95/70/222109570.db2.gz YTMOVQFBUWUNFR-ZJUUUORDSA-N 1 0 307.354 1.166 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@H](C[C@H]3CCOC3)C2)c1 ZINC000375011468 418587950 /nfs/dbraw/zinc/58/79/50/418587950.db2.gz FZGIKRQOISLMBE-ZIAGYGMSSA-N 1 0 308.382 1.930 20 5 DDBDRO O=C(CNc1ccccc1[N+](=O)[O-])N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000361118539 418588591 /nfs/dbraw/zinc/58/85/91/418588591.db2.gz VMSPTAZZFUGCMF-GXTWGEPZSA-N 1 0 318.377 1.511 20 5 DDBDRO C[N@@H+]1CC[C@H]2CCN(c3ccc([N+](=O)[O-])c4nonc43)C[C@@H]21 ZINC000375050720 418596664 /nfs/dbraw/zinc/59/66/64/418596664.db2.gz SFDVBJDHPQAUOU-CABZTGNLSA-N 1 0 303.322 1.661 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCCOCC[NH+](C)C ZINC000361431749 418650500 /nfs/dbraw/zinc/65/05/00/418650500.db2.gz FVXHLXCJZYFDDS-UHFFFAOYSA-N 1 0 310.354 1.603 20 5 DDBDRO CN(CC(=O)N[C@H]1CC[N@@H+](C2CC2)C1)c1ccccc1[N+](=O)[O-] ZINC000361353926 418633245 /nfs/dbraw/zinc/63/32/45/418633245.db2.gz JGDGPGWREBSERO-LBPRGKRZSA-N 1 0 318.377 1.384 20 5 DDBDRO Nc1c(C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)cccc1[N+](=O)[O-] ZINC000344938593 418634430 /nfs/dbraw/zinc/63/44/30/418634430.db2.gz MTUZTMBIIRGJQX-UHFFFAOYSA-N 1 0 324.300 2.010 20 5 DDBDRO NC(=O)c1ccnc(NCCC[NH2+]C2CCCCC2)c1[N+](=O)[O-] ZINC000357294957 418651084 /nfs/dbraw/zinc/65/10/84/418651084.db2.gz BZYPGQOXICBKLM-UHFFFAOYSA-N 1 0 321.381 1.813 20 5 DDBDRO CCC[N@H+](CC)C[C@@H](C)Nc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000357772219 418651904 /nfs/dbraw/zinc/65/19/04/418651904.db2.gz AFSTYQCYLFNDKH-LLVKDONJSA-N 1 0 306.370 2.170 20 5 DDBDRO CCOc1ccc(C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)cc1[N+](=O)[O-] ZINC000368191877 418701919 /nfs/dbraw/zinc/70/19/19/418701919.db2.gz CRQVQIFTIBTWSI-QWRGUYRKSA-N 1 0 311.313 1.423 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000382482725 418731679 /nfs/dbraw/zinc/73/16/79/418731679.db2.gz XOMGIOGIROLBDC-QWRGUYRKSA-N 1 0 313.379 1.309 20 5 DDBDRO CCO[C@@H]1COCC[C@H]1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000362009292 418738368 /nfs/dbraw/zinc/73/83/68/418738368.db2.gz APLVABVCAFOGNJ-IUODEOHRSA-N 1 0 310.350 1.757 20 5 DDBDRO CCO[C@@H]1COCC[C@@H]1[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000362019187 418740444 /nfs/dbraw/zinc/74/04/44/418740444.db2.gz UPROJUMDANSDQS-LSDHHAIUSA-N 1 0 310.350 1.757 20 5 DDBDRO CN(C(=O)COc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[NH2+]CC1 ZINC000364668041 418798049 /nfs/dbraw/zinc/79/80/49/418798049.db2.gz UXHVXYZCCVUPLF-LBPRGKRZSA-N 1 0 307.350 1.574 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@H]2CCO[C@@H]2C2CC2)c1 ZINC000365346337 418854049 /nfs/dbraw/zinc/85/40/49/418854049.db2.gz VPZBCMOIEPJINS-VNQPRFMTSA-N 1 0 322.361 1.492 20 5 DDBDRO Cc1cc(NC(=O)C(=O)NCC[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000411248998 418884745 /nfs/dbraw/zinc/88/47/45/418884745.db2.gz YHKVCERWDDYUJW-UHFFFAOYSA-N 1 0 320.349 1.054 20 5 DDBDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000372125446 418838662 /nfs/dbraw/zinc/83/86/62/418838662.db2.gz KBCVMYVNGCFKNW-BYCMXARLSA-N 1 0 318.377 1.388 20 5 DDBDRO C[C@@H]1C[C@H](CO)C[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000420948120 419375669 /nfs/dbraw/zinc/37/56/69/419375669.db2.gz VJWNIIKPZQWSPE-VNHYZAJKSA-N 1 0 324.377 1.285 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000428032665 228694376 /nfs/dbraw/zinc/69/43/76/228694376.db2.gz KPHVZXAUMIHQCR-OLZOCXBDSA-N 1 0 318.377 1.526 20 5 DDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000428037162 228695484 /nfs/dbraw/zinc/69/54/84/228695484.db2.gz YJHAMCITFGMLPF-LALPHHSUSA-N 1 0 318.377 1.606 20 5 DDBDRO CC(C)[C@H]([NH3+])CNC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000418384645 419758940 /nfs/dbraw/zinc/75/89/40/419758940.db2.gz KNVMZDSWDQOKHL-CQSZACIVSA-N 1 0 322.365 1.351 20 5 DDBDRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000427968836 419778112 /nfs/dbraw/zinc/77/81/12/419778112.db2.gz VHDAEBSRGVCDHV-RISCZKNCSA-N 1 0 319.361 1.514 20 5 DDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000430948661 228987377 /nfs/dbraw/zinc/98/73/77/228987377.db2.gz KVJXABQFMLJCTF-GRYCIOLGSA-N 1 0 306.366 1.604 20 5 DDBDRO CC(C)(NC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000418669651 419929266 /nfs/dbraw/zinc/92/92/66/419929266.db2.gz KAPPSQGXSNBOLO-ITGUQSILSA-N 1 0 304.350 1.347 20 5 DDBDRO CN1CCNC[C@H]1C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423519519 420069993 /nfs/dbraw/zinc/06/99/93/420069993.db2.gz PEAOBJCEIYVZSO-HOTGVXAUSA-N 1 0 318.421 1.409 20 5 DDBDRO C[N@@H+]1CC[C@H](CNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000429881828 420057065 /nfs/dbraw/zinc/05/70/65/420057065.db2.gz DMRUDBQORPFEMZ-GFCCVEGCSA-N 1 0 305.378 1.940 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[NH2+][C@H]2C)c1 ZINC000423601270 420095482 /nfs/dbraw/zinc/09/54/82/420095482.db2.gz GLCUNPFTCWCKEM-GXFFZTMASA-N 1 0 307.350 1.864 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@](C)(O)CC[NH+](C)C)c1 ZINC000420020451 420095639 /nfs/dbraw/zinc/09/56/39/420095639.db2.gz SILNDZKUPIFTHB-OAHLLOKOSA-N 1 0 309.366 1.336 20 5 DDBDRO COc1cc(C(=O)N[C@@H]2CCC[NH2+][C@@H]2C)cc([N+](=O)[O-])c1C ZINC000423616319 420100482 /nfs/dbraw/zinc/10/04/82/420100482.db2.gz RWAZAQUNEMVERQ-ZYHUDNBSSA-N 1 0 307.350 1.782 20 5 DDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000423652763 420114820 /nfs/dbraw/zinc/11/48/20/420114820.db2.gz XZYXDBQNUWOBJC-OAHLLOKOSA-N 1 0 304.350 1.393 20 5 DDBDRO C[NH2+]C[C@H]1CCCN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000430561107 420137817 /nfs/dbraw/zinc/13/78/17/420137817.db2.gz JMGLLUONEBCXGJ-CYBMUJFWSA-N 1 0 317.349 1.829 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000423534127 420075372 /nfs/dbraw/zinc/07/53/72/420075372.db2.gz VGJKDKVYXAFTGH-MNOVXSKESA-N 1 0 307.350 1.803 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000423544327 420078020 /nfs/dbraw/zinc/07/80/20/420078020.db2.gz IRGBDFICVGYNDK-GWCFXTLKSA-N 1 0 307.350 1.721 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000415500911 420092322 /nfs/dbraw/zinc/09/23/22/420092322.db2.gz MBPKXHUZXGHYHW-MWLCHTKSSA-N 1 0 308.338 1.804 20 5 DDBDRO CC[C@@]1(C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)CCC[NH2+]1 ZINC000423826790 420211256 /nfs/dbraw/zinc/21/12/56/420211256.db2.gz MVTYHMGFIOYMIQ-HNNXBMFYSA-N 1 0 321.381 1.487 20 5 DDBDRO C[C@@]1(C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)CCCC[NH2+]1 ZINC000423826343 420211960 /nfs/dbraw/zinc/21/19/60/420211960.db2.gz MEBRGTXSZJZEAU-HNNXBMFYSA-N 1 0 321.381 1.487 20 5 DDBDRO C[C@H]1CCCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@@H]1C[NH3+] ZINC000430580077 420144882 /nfs/dbraw/zinc/14/48/82/420144882.db2.gz HGZIPLQILVOGLF-SWLSCSKDSA-N 1 0 320.393 1.617 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[C@H](C)[C@H]1C[NH3+] ZINC000430596437 420150121 /nfs/dbraw/zinc/15/01/21/420150121.db2.gz OBMYWHJGIOMPCP-SMDDNHRTSA-N 1 0 320.393 1.901 20 5 DDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000420276495 420177386 /nfs/dbraw/zinc/17/73/86/420177386.db2.gz HNCGNHFZIOZDDX-WDEREUQCSA-N 1 0 306.366 1.884 20 5 DDBDRO Cc1c(NC(=O)[C@H](C)N2CC[C@H]([NH3+])[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000430953790 420221095 /nfs/dbraw/zinc/22/10/95/420221095.db2.gz ICXLOIUGAONZAX-WXHSDQCUSA-N 1 0 320.393 1.899 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000420346610 420225665 /nfs/dbraw/zinc/22/56/65/420225665.db2.gz YXMPMSQRLRPVCN-DOMZBBRYSA-N 1 0 318.377 1.526 20 5 DDBDRO COc1ccc(OCCN[C@@H](C[NH3+])C(C)(C)C)c([N+](=O)[O-])c1 ZINC000420356300 420234512 /nfs/dbraw/zinc/23/45/12/420234512.db2.gz GAGPKJQBAVOEBT-AWEZNQCLSA-N 1 0 311.382 1.945 20 5 DDBDRO C[C@@H]1CN(C(=O)CCNc2ccccc2[N+](=O)[O-])C[C@@]1(C)C[NH3+] ZINC000423980374 420289602 /nfs/dbraw/zinc/28/96/02/420289602.db2.gz DMINTQMFLAZAMC-MLGOLLRUSA-N 1 0 320.393 1.840 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000420377082 420249493 /nfs/dbraw/zinc/24/94/93/420249493.db2.gz KPRMGLODOSQQII-WCQYABFASA-N 1 0 320.393 1.758 20 5 DDBDRO C[C@@H]1CCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@H]1C[NH3+] ZINC000420397030 420261015 /nfs/dbraw/zinc/26/10/15/420261015.db2.gz FXASONVOJHFQDO-CHWSQXEVSA-N 1 0 320.393 1.474 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1C[C@@H]([NH3+])Cc2ccccc21 ZINC000424071157 420309639 /nfs/dbraw/zinc/30/96/39/420309639.db2.gz DRSBBFDVELPVEG-LBPRGKRZSA-N 1 0 315.333 1.016 20 5 DDBDRO C[C@@H]1CCN(C(=O)COc2ccccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000423999429 420300502 /nfs/dbraw/zinc/30/05/02/420300502.db2.gz BDWGYPUVENKKQC-VXGBXAGGSA-N 1 0 307.350 1.417 20 5 DDBDRO CC[C@@H]([NH3+])CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000420464654 420304313 /nfs/dbraw/zinc/30/43/13/420304313.db2.gz KENHRDCIVOURLL-SSDOTTSWSA-N 1 0 307.759 1.264 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[NH2+][C@H](C)[C@@H]1C ZINC000436059840 420304490 /nfs/dbraw/zinc/30/44/90/420304490.db2.gz LVTUKMPBCIIGQE-OLZOCXBDSA-N 1 0 320.393 1.914 20 5 DDBDRO C[N@H+](CCC(N)=O)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425459532 420390684 /nfs/dbraw/zinc/39/06/84/420390684.db2.gz PUSIYAZKWBLKIL-UHFFFAOYSA-N 1 0 316.155 1.665 20 5 DDBDRO C[NH+](C)CC(C)(C)NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000416509991 420400317 /nfs/dbraw/zinc/40/03/17/420400317.db2.gz SUZQUGNJKHPHMT-UHFFFAOYSA-N 1 0 315.395 1.354 20 5 DDBDRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000445176535 230168629 /nfs/dbraw/zinc/16/86/29/230168629.db2.gz DYUWAPWWXPPCLI-QWRGUYRKSA-N 1 0 322.365 1.688 20 5 DDBDRO CC1(C)CCC[N@@H+]1CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000457072538 420603287 /nfs/dbraw/zinc/60/32/87/420603287.db2.gz JETQJRHTHHVCGP-UHFFFAOYSA-N 1 0 324.356 1.920 20 5 DDBDRO Cc1ccc(C)c(S(=O)(=O)N2C[C@H]([NH3+])[C@@H](C)C2)c1[N+](=O)[O-] ZINC000440845355 420612476 /nfs/dbraw/zinc/61/24/76/420612476.db2.gz KBTGEFIAWMJXAM-QWRGUYRKSA-N 1 0 313.379 1.179 20 5 DDBDRO CCc1n[nH]c(C(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000457115277 420619537 /nfs/dbraw/zinc/61/95/37/420619537.db2.gz KWSBUMIMKVJRGB-JTQLQIEISA-N 1 0 309.370 1.435 20 5 DDBDRO COc1ccc(OCC[N@@H+]2C[C@@H](C)C[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000452069489 420620701 /nfs/dbraw/zinc/62/07/01/420620701.db2.gz PZPKGFHNALMULA-RYUDHWBXSA-N 1 0 310.350 1.685 20 5 DDBDRO C[C@@H]1C[C@@H](O)C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000452068540 420620830 /nfs/dbraw/zinc/62/08/30/420620830.db2.gz OSUXFJMZOKOXFF-BXUZGUMPSA-N 1 0 307.350 1.626 20 5 DDBDRO COc1ccc(NC(=O)CN2C[C@H](C[NH3+])C[C@H]2C)c([N+](=O)[O-])c1 ZINC000442794720 420716656 /nfs/dbraw/zinc/71/66/56/420716656.db2.gz UDNVQEPUVTXOJG-MNOVXSKESA-N 1 0 322.365 1.211 20 5 DDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@@H]2COCCO2)n1 ZINC000447534754 420780102 /nfs/dbraw/zinc/78/01/02/420780102.db2.gz ZQIMCSXMLMXYNO-JHJVBQTASA-N 1 0 310.354 1.280 20 5 DDBDRO O=C(/C=C\c1ccccc1[N+](=O)[O-])N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000493769060 420937185 /nfs/dbraw/zinc/93/71/85/420937185.db2.gz FFXNYCFDPKHBHS-PODYEWJSSA-N 1 0 301.346 1.961 20 5 DDBDRO CC[NH+](CC)C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c(NC)n1 ZINC000455657701 421050304 /nfs/dbraw/zinc/05/03/04/421050304.db2.gz CNKCEUSKFJULOA-JTQLQIEISA-N 1 0 309.370 1.492 20 5 DDBDRO O=C(N[C@H]1C[NH2+]CCC1(F)F)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000449668382 421053598 /nfs/dbraw/zinc/05/35/98/421053598.db2.gz SUPDUOGKVWPPLT-JTQLQIEISA-N 1 0 319.695 1.975 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@H]1CCCN1CCCO ZINC000449388184 421003119 /nfs/dbraw/zinc/00/31/19/421003119.db2.gz OKTJBKFWSJBDPO-MRXNPFEDSA-N 1 0 307.394 1.840 20 5 DDBDRO CNC(=O)C[C@@H](C)[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000449604143 421035930 /nfs/dbraw/zinc/03/59/30/421035930.db2.gz SGNXOCUGKDYOLN-MNOVXSKESA-N 1 0 322.365 1.426 20 5 DDBDRO C[NH+](C)CCCC(C)(C)NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000456163914 421110772 /nfs/dbraw/zinc/11/07/72/421110772.db2.gz BVBHHJOKIXBYRT-UHFFFAOYSA-N 1 0 311.386 1.418 20 5 DDBDRO C[NH+]1CCN(CCNc2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC000450233735 421167926 /nfs/dbraw/zinc/16/79/26/421167926.db2.gz ONHJMGYEKDAOFG-UHFFFAOYSA-N 1 0 315.377 1.802 20 5 DDBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](C[C@@H]3COCCO3)CC2)cc1 ZINC000450462377 421200300 /nfs/dbraw/zinc/20/03/00/421200300.db2.gz ZTIXHLPBRJDCIW-MRXNPFEDSA-N 1 0 322.361 1.853 20 5 DDBDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000560978311 421301380 /nfs/dbraw/zinc/30/13/80/421301380.db2.gz AEILUQFFTQCNMB-LLVKDONJSA-N 1 0 309.370 1.558 20 5 DDBDRO CCCc1n[nH]c(C(=O)NCC[N@@H+]2CC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000525803886 421303054 /nfs/dbraw/zinc/30/30/54/421303054.db2.gz XYXAXFMQIPQLIY-SNVBAGLBSA-N 1 0 309.370 1.342 20 5 DDBDRO C[C@]1(CO)CCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000546810967 421312067 /nfs/dbraw/zinc/31/20/67/421312067.db2.gz DRBANJHDLSYPCQ-IUODEOHRSA-N 1 0 310.350 1.181 20 5 DDBDRO CC[N@@H+](Cc1ccc(C)cc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000524753473 421269597 /nfs/dbraw/zinc/26/95/97/421269597.db2.gz JDNNQPZMJDOJPX-INIZCTEOSA-N 1 0 318.377 1.983 20 5 DDBDRO CCOC(=O)c1cc(C(=O)N2CCC([NH3+])CC2)cc([N+](=O)[O-])c1 ZINC000561935935 421336907 /nfs/dbraw/zinc/33/69/07/421336907.db2.gz DSHSOSBHBDMEOP-UHFFFAOYSA-N 1 0 321.333 1.335 20 5 DDBDRO CC(C)CC[NH+]1CCC(CNC(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC000548092346 421398921 /nfs/dbraw/zinc/39/89/21/421398921.db2.gz YXCNYMGVCKKUQS-UHFFFAOYSA-N 1 0 323.397 1.806 20 5 DDBDRO CN1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC000548084530 421399028 /nfs/dbraw/zinc/39/90/28/421399028.db2.gz FTZUTAPNNSWFHF-ZDUSSCGKSA-N 1 0 315.333 1.447 20 5 DDBDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000562817375 421417560 /nfs/dbraw/zinc/41/75/60/421417560.db2.gz LOKAMPSMFLVLNV-BXUZGUMPSA-N 1 0 318.377 1.661 20 5 DDBDRO O=[N+]([O-])c1cc2c(nc1N1CC[C@@H]3C[NH2+]C[C@H]3C1)CCCC2 ZINC000516065862 421525953 /nfs/dbraw/zinc/52/59/53/421525953.db2.gz WHGQMXMTOGGVGW-OLZOCXBDSA-N 1 0 302.378 1.914 20 5 DDBDRO CCN(CCC[NH+](CC)CC)C(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000563387982 421499230 /nfs/dbraw/zinc/49/92/30/421499230.db2.gz PTDIVTRLFSJKBZ-UHFFFAOYSA-N 1 0 323.397 1.766 20 5 DDBDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1c1ccc([N+](=O)[O-])nc1 ZINC000517005731 421586345 /nfs/dbraw/zinc/58/63/45/421586345.db2.gz JWZOTTMKVKLWLF-GFCCVEGCSA-N 1 0 306.366 1.679 20 5 DDBDRO C[NH+](C)[C@@H](CNC(=O)c1c[nH]nc1[N+](=O)[O-])Cc1ccccc1 ZINC000554833186 421663074 /nfs/dbraw/zinc/66/30/74/421663074.db2.gz HIYQSCZPSIGWQE-GFCCVEGCSA-N 1 0 317.349 1.221 20 5 DDBDRO C[C@@H]1C[C@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC[NH2+]1 ZINC000519549136 421699639 /nfs/dbraw/zinc/69/96/39/421699639.db2.gz ZIOJXJBTXOQQLC-RKDXNWHRSA-N 1 0 307.306 1.194 20 5 DDBDRO CN(CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C[C@@H](O)C[NH3+] ZINC000571688788 421736479 /nfs/dbraw/zinc/73/64/79/421736479.db2.gz RKMOQZGSRJPALG-ZDUSSCGKSA-N 1 0 320.349 1.044 20 5 DDBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC000558759147 421824847 /nfs/dbraw/zinc/82/48/47/421824847.db2.gz WCTDGAGSFYNOBD-NSHDSACASA-N 1 0 307.354 1.122 20 5 DDBDRO C[NH+](C)C[C@@H]1CCN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])C1 ZINC000558939296 421827896 /nfs/dbraw/zinc/82/78/96/421827896.db2.gz BNZKENYNNJPNDF-JTQLQIEISA-N 1 0 317.349 1.632 20 5 DDBDRO [NH3+][C@H](CC(F)F)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000581068969 421892560 /nfs/dbraw/zinc/89/25/60/421892560.db2.gz LBGAMFJXZGYNFE-SNVBAGLBSA-N 1 0 303.265 1.072 20 5 DDBDRO Cc1cc(S(=O)(=O)NCC(C)(C)[NH3+])c(C)cc1[N+](=O)[O-] ZINC000573935079 422037676 /nfs/dbraw/zinc/03/76/76/422037676.db2.gz BMKKSGKBIGXMCQ-UHFFFAOYSA-N 1 0 301.368 1.227 20 5 DDBDRO CC(C)([NH3+])c1noc(COc2ccc([N+](=O)[O-])c(CO)c2)n1 ZINC000574200343 422075869 /nfs/dbraw/zinc/07/58/69/422075869.db2.gz RCXWSVROXRDKOV-UHFFFAOYSA-N 1 0 308.294 1.243 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N(C)CCC[NH3+])c1C ZINC000582062211 422099533 /nfs/dbraw/zinc/09/95/33/422099533.db2.gz WTTPYOFVFSQRNG-UHFFFAOYSA-N 1 0 301.368 1.181 20 5 DDBDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000578246514 422534143 /nfs/dbraw/zinc/53/41/43/422534143.db2.gz UJUMLYVEJWEVMW-LLVKDONJSA-N 1 0 323.397 1.812 20 5 DDBDRO Cn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)n1 ZINC000344645092 272078025 /nfs/dbraw/zinc/07/80/25/272078025.db2.gz CNYCURFUMVGPOU-NSHDSACASA-N 1 0 309.370 1.179 20 5 DDBDRO CC[N@@H+]1C[C@H](C)N(C(=O)CNc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000345916002 272364902 /nfs/dbraw/zinc/36/49/02/272364902.db2.gz YZAZCAXIQRZOND-OLZOCXBDSA-N 1 0 320.393 1.948 20 5 DDBDRO CC[N@@H+]1C[C@H](C)N(C(=O)COc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000345995708 272385175 /nfs/dbraw/zinc/38/51/75/272385175.db2.gz UKJCQTJZEKFKLP-STQMWFEESA-N 1 0 321.377 1.915 20 5 DDBDRO C[NH+](C)[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2Br)C1 ZINC000267245630 273808876 /nfs/dbraw/zinc/80/88/76/273808876.db2.gz NKHKMLFPLGCUHN-MRVPVSSYSA-N 1 0 315.171 1.893 20 5 DDBDRO C[NH+](C)C1CN(c2c(Br)cncc2[N+](=O)[O-])C1 ZINC000302157685 273792378 /nfs/dbraw/zinc/79/23/78/273792378.db2.gz WXBYACRQGJVUQU-UHFFFAOYSA-N 1 0 301.144 1.503 20 5 DDBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000330559660 274218346 /nfs/dbraw/zinc/21/83/46/274218346.db2.gz HJIUFEVWOKUZIO-RYUDHWBXSA-N 1 0 308.382 1.784 20 5 DDBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424299276 274278503 /nfs/dbraw/zinc/27/85/03/274278503.db2.gz SMMXDKLKXLQIPL-TUKIKUTGSA-N 1 0 315.377 1.816 20 5 DDBDRO O=[N+]([O-])c1cnc2ccc(N3CC[C@@H]([NH+]4CCCCC4)C3)nn21 ZINC000408058469 275041809 /nfs/dbraw/zinc/04/18/09/275041809.db2.gz JYEBSXFAAUWTBV-GFCCVEGCSA-N 1 0 316.365 1.702 20 5 DDBDRO CC(C)c1ccc(C[N@@H+]2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000449522044 276053241 /nfs/dbraw/zinc/05/32/41/276053241.db2.gz KHEWXTGHOVOEPZ-BETUJISGSA-N 1 0 317.345 1.423 20 5 DDBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000110993430 276157175 /nfs/dbraw/zinc/15/71/75/276157175.db2.gz KWNCOHGVIKBLFU-LLVKDONJSA-N 1 0 309.370 1.241 20 5 DDBDRO CC[NH+](CC)CCCNC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000269367723 276325545 /nfs/dbraw/zinc/32/55/45/276325545.db2.gz XTPXVUPCISRGFS-UHFFFAOYSA-N 1 0 311.386 1.903 20 5 DDBDRO CCOC[C@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000459711061 276333974 /nfs/dbraw/zinc/33/39/74/276333974.db2.gz LVONBXMSGVPNAT-CQSZACIVSA-N 1 0 309.366 1.648 20 5 DDBDRO CN1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CCC1=O ZINC000331987382 277204750 /nfs/dbraw/zinc/20/47/50/277204750.db2.gz YWZJAWXTFORIKF-UPJWGTAASA-N 1 0 321.381 1.485 20 5 DDBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000193658123 278215078 /nfs/dbraw/zinc/21/50/78/278215078.db2.gz SKQXGCOXMZUCIL-RWMBFGLXSA-N 1 0 318.377 1.415 20 5 DDBDRO CC(C)[C@H]([NH3+])CCN(C)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000161976342 280278562 /nfs/dbraw/zinc/27/85/62/280278562.db2.gz UKEKCUATRDDLNV-GFCCVEGCSA-N 1 0 309.366 1.805 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)n1 ZINC000186813418 281012206 /nfs/dbraw/zinc/01/22/06/281012206.db2.gz YFDBCFIEXUHSBK-GFCCVEGCSA-N 1 0 308.382 1.580 20 5 DDBDRO COC(=O)c1cc(NC(=O)C[C@@H]2CC[NH2+]C2)cc([N+](=O)[O-])c1 ZINC000128223708 281303606 /nfs/dbraw/zinc/30/36/06/281303606.db2.gz HFPQUROFLNNVTF-VIFPVBQESA-N 1 0 307.306 1.320 20 5 DDBDRO C[C@@H]1CCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H]1CO ZINC000305429848 533693778 /nfs/dbraw/zinc/69/37/78/533693778.db2.gz DLDTWSBNFQCPSW-QMTHXVAHSA-N 1 0 307.350 1.287 20 5 DDBDRO C[C@@H]1CN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@@]1(C)C[NH3+] ZINC000314046812 297066138 /nfs/dbraw/zinc/06/61/38/297066138.db2.gz OISXQIVGIHFIJC-ZWNOBZJWSA-N 1 0 313.379 1.200 20 5 DDBDRO C[C@@H](NC(=O)NCC1CC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1 ZINC001120626760 782060526 /nfs/dbraw/zinc/06/05/26/782060526.db2.gz SSWKOFQFCGTWGS-LLVKDONJSA-N 1 0 306.366 1.955 20 5 DDBDRO NC(=O)C[N@H+](CCC1CCCCC1)CCn1ccc([N+](=O)[O-])n1 ZINC000357924852 299022042 /nfs/dbraw/zinc/02/20/42/299022042.db2.gz GBGVEXFFORFLNZ-UHFFFAOYSA-N 1 0 323.397 1.549 20 5 DDBDRO O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000363439882 300267818 /nfs/dbraw/zinc/26/78/18/300267818.db2.gz OQXXLTKQQNAXAS-SNVBAGLBSA-N 1 0 306.322 1.006 20 5 DDBDRO O=C(CCn1cc([N+](=O)[O-])cn1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000363486548 300275469 /nfs/dbraw/zinc/27/54/69/300275469.db2.gz HEGQSONNFHEVMN-ZDUSSCGKSA-N 1 0 321.381 1.268 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@H]2c2nccs2)c1 ZINC000368404316 301020181 /nfs/dbraw/zinc/02/01/81/301020181.db2.gz LIHNCFGZVNSCLG-NEPJUHHUSA-N 1 0 323.378 1.446 20 5 DDBDRO COc1cc(C(=O)N2CC[C@H]3C[NH2+]C[C@H]32)c([N+](=O)[O-])cc1OC ZINC000368474915 301036219 /nfs/dbraw/zinc/03/62/19/301036219.db2.gz RRYPOXOFAZWNPE-JOYOIKCWSA-N 1 0 321.333 1.046 20 5 DDBDRO Cc1c(CC(=O)N2CC[C@H]3CC[N@@H+](C)[C@H]3C2)cccc1[N+](=O)[O-] ZINC000368587738 301058681 /nfs/dbraw/zinc/05/86/81/301058681.db2.gz DRYJEIJFSCZHAM-CJNGLKHVSA-N 1 0 317.389 1.998 20 5 DDBDRO C[N@@H+]1CCC[C@@H](N2CCN(Cc3ccccc3[N+](=O)[O-])CC2)C1 ZINC000369359358 301171389 /nfs/dbraw/zinc/17/13/89/301171389.db2.gz QQASQGKDBBISRB-MRXNPFEDSA-N 1 0 318.421 1.807 20 5 DDBDRO Cc1ccc(S(=O)(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000440426523 301680255 /nfs/dbraw/zinc/68/02/55/301680255.db2.gz PRSDEEJZNWLKJO-GHMZBOCLSA-N 1 0 313.379 1.261 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CN1CCCC[C@@H]1C(=[NH2+])NO ZINC000374176481 301774240 /nfs/dbraw/zinc/77/42/40/301774240.db2.gz RBKRJRLRIWAJBG-GFCCVEGCSA-N 1 0 308.338 1.914 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000261599898 301865162 /nfs/dbraw/zinc/86/51/62/301865162.db2.gz VWLCTWLTLAJJLY-GFCCVEGCSA-N 1 0 315.395 1.555 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@H]2OCC[C@H]2C1 ZINC000376048123 302031153 /nfs/dbraw/zinc/03/11/53/302031153.db2.gz PYFBGFASRWGYQX-KCQAQPDRSA-N 1 0 322.361 1.445 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H]1CCC[NH2+]CC1 ZINC000226461623 302049643 /nfs/dbraw/zinc/04/96/43/302049643.db2.gz HEJIPMJRZHKHKZ-NSHDSACASA-N 1 0 313.379 1.324 20 5 DDBDRO Nc1ccc(C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)cc1[N+](=O)[O-] ZINC000376204159 302051149 /nfs/dbraw/zinc/05/11/49/302051149.db2.gz XIBAEVVOVRICFD-CQSZACIVSA-N 1 0 318.377 1.781 20 5 DDBDRO C[C@@H]1C[C@H](C)N(C(=O)Cc2ccccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000397227586 302352922 /nfs/dbraw/zinc/35/29/22/302352922.db2.gz CSOWWNBTAPZNHD-DYEKYZERSA-N 1 0 305.378 1.969 20 5 DDBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1ccc([N+](=O)[O-])n1C ZINC000356300534 306847144 /nfs/dbraw/zinc/84/71/44/306847144.db2.gz OUKZSHYDNPETKN-NEPJUHHUSA-N 1 0 306.366 1.632 20 5 DDBDRO [NH3+]CC[C@H]1CCCCN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000261927495 303389423 /nfs/dbraw/zinc/38/94/23/303389423.db2.gz JAFDPGXLFRBUDE-GFCCVEGCSA-N 1 0 306.366 1.737 20 5 DDBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC000559368081 303790549 /nfs/dbraw/zinc/79/05/49/303790549.db2.gz VCGRNVOGNFSVKU-VXGBXAGGSA-N 1 0 323.397 1.806 20 5 DDBDRO Cc1ccc(S(=O)(=O)NCCC[NH2+]C(C)C)c([N+](=O)[O-])c1 ZINC000563118676 303923415 /nfs/dbraw/zinc/92/34/15/303923415.db2.gz RKWBETFAOGLFGT-UHFFFAOYSA-N 1 0 315.395 1.570 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000563170474 303928763 /nfs/dbraw/zinc/92/87/63/303928763.db2.gz SBTFETPCRYHVHE-HNNXBMFYSA-N 1 0 314.345 1.632 20 5 DDBDRO O=[N+]([O-])c1ccc(F)cc1N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000364191284 307043196 /nfs/dbraw/zinc/04/31/96/307043196.db2.gz RTNHXBBSBOPFGP-ZFWWWQNUSA-N 1 0 309.341 1.769 20 5 DDBDRO O=[N+]([O-])c1ccc(CN2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1F ZINC000367275840 307091231 /nfs/dbraw/zinc/09/12/31/307091231.db2.gz YSPQGEICEFKHTD-JKSUJKDBSA-N 1 0 323.368 1.765 20 5 DDBDRO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CCN(c2cc[nH+]cc2)CC1 ZINC000368929741 307112993 /nfs/dbraw/zinc/11/29/93/307112993.db2.gz IUUBTYVEHXKFDL-ZIAGYGMSSA-N 1 0 304.350 1.174 20 5 DDBDRO Cn1ccnc1[C@H]1CCCN1C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000371463318 307150310 /nfs/dbraw/zinc/15/03/10/307150310.db2.gz IIIMZPKNVGMGSI-GFCCVEGCSA-N 1 0 318.337 1.279 20 5 DDBDRO C[N@@H+]1CC[C@H]2CCN(c3ccc4ncc([N+](=O)[O-])n4n3)C[C@@H]21 ZINC000375047435 307217879 /nfs/dbraw/zinc/21/78/79/307217879.db2.gz DDQQTRDWIAFFNO-QWRGUYRKSA-N 1 0 302.338 1.168 20 5 DDBDRO O=C1NC[C@]2(CCC[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)C2)O1 ZINC000375573268 307228451 /nfs/dbraw/zinc/22/84/51/307228451.db2.gz VEZDRAZOVWTJDW-HNNXBMFYSA-N 1 0 321.333 1.548 20 5 DDBDRO Cc1cc(C(=O)N2CC[C@@H]3CC[N@@H+](C)[C@H]3C2)c([N+](=O)[O-])c(=O)[nH]1 ZINC000376663593 307252421 /nfs/dbraw/zinc/25/24/21/307252421.db2.gz LJGVZJBHDXMSEJ-JQWIXIFHSA-N 1 0 320.349 1.170 20 5 DDBDRO O=C1OCCN1C[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000497296033 307389245 /nfs/dbraw/zinc/38/92/45/307389245.db2.gz HKBZDPJBVIVITF-ZDUSSCGKSA-N 1 0 305.334 1.869 20 5 DDBDRO CC(C)([NH3+])CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000519156850 307449675 /nfs/dbraw/zinc/44/96/75/307449675.db2.gz UVOZFNDUKPIBMP-UHFFFAOYSA-N 1 0 320.393 1.665 20 5 DDBDRO CC[NH+](CC)CC[C@H](CO)NC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000538821121 307678109 /nfs/dbraw/zinc/67/81/09/307678109.db2.gz UYHSKNPVRGYMDN-CQSZACIVSA-N 1 0 323.393 1.726 20 5 DDBDRO Cc1nc(N2CCC[C@@H]([NH+]3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000563423501 307970346 /nfs/dbraw/zinc/97/03/46/307970346.db2.gz MMIZWBRUCDBRDX-CQSZACIVSA-N 1 0 320.393 1.989 20 5 DDBDRO C[NH2+]CCCN(C)C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000565534570 308033411 /nfs/dbraw/zinc/03/34/11/308033411.db2.gz KQBAHANWWMDOCC-UHFFFAOYSA-N 1 0 309.322 1.048 20 5 DDBDRO C[C@H]1CC[N@H+](CC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000567178777 308075179 /nfs/dbraw/zinc/07/51/79/308075179.db2.gz PSIHNVINLIDZSW-ZDUSSCGKSA-N 1 0 305.378 1.938 20 5 DDBDRO Cc1c(NC(=O)C(=O)N2CCC[C@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000570811063 308181157 /nfs/dbraw/zinc/18/11/57/308181157.db2.gz KDRPMSZWLAKBCV-LLVKDONJSA-N 1 0 320.349 1.039 20 5 DDBDRO C[NH2+]CCC1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000572603643 308220461 /nfs/dbraw/zinc/22/04/61/308220461.db2.gz RVNYJCOUPNNGOO-UHFFFAOYSA-N 1 0 306.366 1.639 20 5 DDBDRO C[C@@H]1C[C@H](C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000573199263 308233063 /nfs/dbraw/zinc/23/30/63/308233063.db2.gz RKQPCKDZEAAXFM-NFAWXSAZSA-N 1 0 324.377 1.739 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC(=O)N1CCOCC1 ZINC000576852010 308344808 /nfs/dbraw/zinc/34/48/08/308344808.db2.gz ROVMOHXKLZDKNY-LBPRGKRZSA-N 1 0 307.350 1.413 20 5 DDBDRO Cc1cccc2c1CC[C@H]2[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000580184767 308585686 /nfs/dbraw/zinc/58/56/86/308585686.db2.gz SOJZQBANJGZDCX-CZUORRHYSA-N 1 0 316.361 1.738 20 5 DDBDRO O=C(C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)NCC1CC1 ZINC000580991463 308645554 /nfs/dbraw/zinc/64/55/54/308645554.db2.gz GWYONRVRHDTWNW-STQMWFEESA-N 1 0 321.381 1.391 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000582772810 337145164 /nfs/dbraw/zinc/14/51/64/337145164.db2.gz FFGKGGWSAAFCFS-JTQLQIEISA-N 1 0 308.338 1.806 20 5 DDBDRO C[NH2+]C[C@@H]1CCCN(C(=O)c2cccc(OC)c2[N+](=O)[O-])C1 ZINC000583262349 337293836 /nfs/dbraw/zinc/29/38/36/337293836.db2.gz VNGLNDPSXLAVFQ-NSHDSACASA-N 1 0 307.350 1.675 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@H]3CCCC[C@@H]3O)CC2)cn1 ZINC000584533393 337357495 /nfs/dbraw/zinc/35/74/95/337357495.db2.gz YTXVNSDPVIBTEI-HIFRSBDPSA-N 1 0 320.393 1.663 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](CO)[C@@H]1C ZINC000488801831 484218345 /nfs/dbraw/zinc/21/83/45/484218345.db2.gz NHVIXJIZBKDJLO-QWHCGFSZSA-N 1 0 321.377 1.935 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H](CO)[C@@H]1C ZINC000488805476 484220447 /nfs/dbraw/zinc/22/04/47/484220447.db2.gz SUJWOHPLVDOQEA-STQMWFEESA-N 1 0 321.377 1.935 20 5 DDBDRO CC[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000361591241 484521098 /nfs/dbraw/zinc/52/10/98/484521098.db2.gz YPNRDUHHDYWNKI-QWHCGFSZSA-N 1 0 310.350 1.445 20 5 DDBDRO COC(=O)c1cc(C(=O)N(C)[C@H](C[NH3+])C2CC2)cc([N+](=O)[O-])c1 ZINC000423962970 533720260 /nfs/dbraw/zinc/72/02/60/533720260.db2.gz VRYHORCNSPQOAL-CYBMUJFWSA-N 1 0 321.333 1.191 20 5 DDBDRO COC(=O)c1cc(C(=O)NC[C@@H](C)C[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000293632938 533734115 /nfs/dbraw/zinc/73/41/15/533734115.db2.gz CVJDIMYFYJXEAO-SNVBAGLBSA-N 1 0 323.349 1.309 20 5 DDBDRO COC(=O)c1cc(C(=O)NC(C)(C)CCC[NH3+])cc([N+](=O)[O-])c1 ZINC000423686023 533731384 /nfs/dbraw/zinc/73/13/84/533731384.db2.gz SRHJTPQZIIAXRV-UHFFFAOYSA-N 1 0 323.349 1.629 20 5 DDBDRO COC(=O)Cc1ccc(N(C)CC[N@H+](C)C2CC2)c([N+](=O)[O-])c1 ZINC000294858570 533751321 /nfs/dbraw/zinc/75/13/21/533751321.db2.gz CVUKPBKLBWRTJB-UHFFFAOYSA-N 1 0 321.377 1.841 20 5 DDBDRO COc1cc(C[N@H+](C)CC2(O)CCOCC2)ccc1[N+](=O)[O-] ZINC000444753513 533782114 /nfs/dbraw/zinc/78/21/14/533782114.db2.gz NYHFEKQEPWZVIK-UHFFFAOYSA-N 1 0 310.350 1.577 20 5 DDBDRO COc1cc(C[NH2+]C[C@H]2CCCC(=O)N2)c([N+](=O)[O-])cc1O ZINC000433203786 533884148 /nfs/dbraw/zinc/88/41/48/533884148.db2.gz YSWGQYJOZKKHCS-SNVBAGLBSA-N 1 0 309.322 1.067 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@]1(C)CCO[C@H]1C ZINC000494242663 534340122 /nfs/dbraw/zinc/34/01/22/534340122.db2.gz URKWBTMLOYZTHN-XHDPSFHLSA-N 1 0 307.350 1.999 20 5 DDBDRO CCCc1n[nH]c(C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)c1[N+](=O)[O-] ZINC000156444174 521326197 /nfs/dbraw/zinc/32/61/97/521326197.db2.gz COPPJLYFHGEBFH-ZJUUUORDSA-N 1 0 309.370 1.470 20 5 DDBDRO [NH3+]CCCNC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000418315922 534613660 /nfs/dbraw/zinc/61/36/60/534613660.db2.gz WCFYLUMRBFQWBH-CYBMUJFWSA-N 1 0 306.366 1.833 20 5 DDBDRO CC(C)(NC(=O)NC[C@@H]1CCC[NH2+]1)c1ccccc1[N+](=O)[O-] ZINC000418382325 527274381 /nfs/dbraw/zinc/27/43/81/527274381.db2.gz YNTQSOBRIVQVNV-NSHDSACASA-N 1 0 306.366 1.881 20 5 DDBDRO CC1(C)OCC[C@H]1[NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000451245531 527812788 /nfs/dbraw/zinc/81/27/88/527812788.db2.gz UCAXHKIRZGWGJN-ZIAGYGMSSA-N 1 0 319.361 1.857 20 5 DDBDRO CCOC(=O)[C@H]1NCC[C@H]1[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000423147150 528096094 /nfs/dbraw/zinc/09/60/94/528096094.db2.gz REGYUECCCZQGQV-GDLCADMTSA-N 1 0 307.350 1.539 20 5 DDBDRO CCC[C@H]1CN(c2ncc([N+](=O)[O-])c(C)n2)CC[N@@H+]1CCOC ZINC000297400131 528402901 /nfs/dbraw/zinc/40/29/01/528402901.db2.gz FSYMEAUFNUHXDP-ZDUSSCGKSA-N 1 0 323.397 1.630 20 5 DDBDRO CCCc1n[nH]c(C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000330890005 528547688 /nfs/dbraw/zinc/54/76/88/528547688.db2.gz BPXYYFSFWDHXDO-NXEZZACHSA-N 1 0 309.370 1.483 20 5 DDBDRO CCCC[C@@H](C[NH3+])NC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000417238332 528807488 /nfs/dbraw/zinc/80/74/88/528807488.db2.gz YHEXQORJNXZKIN-ZDUSSCGKSA-N 1 0 308.382 1.954 20 5 DDBDRO CC[C@@H](C)[NH+]1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000451844800 529355560 /nfs/dbraw/zinc/35/55/60/529355560.db2.gz PDAGYUYPHJVUJA-CYBMUJFWSA-N 1 0 320.393 1.949 20 5 DDBDRO C[N@@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000736846954 598810261 /nfs/dbraw/zinc/81/02/61/598810261.db2.gz DFFLGBVPQQDTQU-VIFPVBQESA-N 1 0 303.326 1.139 20 5 DDBDRO CC[N@@H+]1C[C@H](C)[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000821242875 606732040 /nfs/dbraw/zinc/73/20/40/606732040.db2.gz XGIKUCLABASLQB-TVQRCGJNSA-N 1 0 317.353 1.527 20 5 DDBDRO C[C@H](NC(=O)c1ccc(N)c([N+](=O)[O-])c1)C(C)(C)C[NH+](C)C ZINC000081731865 696547352 /nfs/dbraw/zinc/54/73/52/696547352.db2.gz FFZPINBZWYMXAH-JTQLQIEISA-N 1 0 308.382 1.883 20 5 DDBDRO C[C@H]1C[C@H]([NH3+])CCN1S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000125115784 696749889 /nfs/dbraw/zinc/74/98/89/696749889.db2.gz RGOBUKKUXYOBHV-DTWKUNHWSA-N 1 0 317.342 1.234 20 5 DDBDRO C[C@@H]1CN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)C[C@H](C)[NH2+]1 ZINC000153814231 696921973 /nfs/dbraw/zinc/92/19/73/696921973.db2.gz WCCNQQGUNQKLSF-AOOOYVTPSA-N 1 0 311.313 1.322 20 5 DDBDRO C[NH+](C)[C@H]1Cc2ccccc2N(Cn2cc([N+](=O)[O-])cn2)C1 ZINC000158527475 696991060 /nfs/dbraw/zinc/99/10/60/696991060.db2.gz IDEHWCKPUZAZLE-ZDUSSCGKSA-N 1 0 301.350 1.742 20 5 DDBDRO CC1(C)CN(c2ncc([N+](=O)[O-])cc2Br)CC[NH2+]1 ZINC000212717639 697751346 /nfs/dbraw/zinc/75/13/46/697751346.db2.gz WHSQMJMPZGBUFJ-UHFFFAOYSA-N 1 0 315.171 1.941 20 5 DDBDRO O=C1CCCN1CCC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000749644046 700175220 /nfs/dbraw/zinc/17/52/20/700175220.db2.gz CRTKHXLDMXHMFP-CQSZACIVSA-N 1 0 307.350 1.230 20 5 DDBDRO COC1(CO)CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000773936929 697824707 /nfs/dbraw/zinc/82/47/07/697824707.db2.gz ZXLKHEAHPCTKJK-CQSZACIVSA-N 1 0 310.350 1.102 20 5 DDBDRO CC(C)(C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C(N)=O ZINC000775618990 698016480 /nfs/dbraw/zinc/01/64/80/698016480.db2.gz LCCLPIHBQDULPH-UHFFFAOYSA-N 1 0 320.393 1.665 20 5 DDBDRO COCCOC1CC[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776584274 698121697 /nfs/dbraw/zinc/12/16/97/698121697.db2.gz JVSGBEXHMCEUQH-MRXNPFEDSA-N 1 0 324.377 1.756 20 5 DDBDRO NC(=O)CC[C@H]1CCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776583014 698121751 /nfs/dbraw/zinc/12/17/51/698121751.db2.gz YNVFMJQMUPIYEW-DOMZBBRYSA-N 1 0 321.377 1.606 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000261600490 698428314 /nfs/dbraw/zinc/42/83/14/698428314.db2.gz XTKBLKWEEHFOCZ-LLVKDONJSA-N 1 0 315.395 1.555 20 5 DDBDRO COC[C@@]1(CNC(=O)Nc2ccc([N+](=O)[O-])cc2)CCC[NH2+]1 ZINC000262505670 698472386 /nfs/dbraw/zinc/47/23/86/698472386.db2.gz MKKGWSXVPKSKKG-AWEZNQCLSA-N 1 0 308.338 1.485 20 5 DDBDRO COC(=O)CCC1CCN(Cn2cc([N+](=O)[O-])c(C)n2)CC1 ZINC000779864403 698476481 /nfs/dbraw/zinc/47/64/81/698476481.db2.gz BFJBYIABMKBOIU-UHFFFAOYSA-N 1 0 310.354 1.722 20 5 DDBDRO CN(Cc1ccc(Br)c([N+](=O)[O-])c1)C[C@@H](O)C[NH3+] ZINC000310833651 698671715 /nfs/dbraw/zinc/67/17/15/698671715.db2.gz MFJYVAHSTPSEBR-VIFPVBQESA-N 1 0 318.171 1.109 20 5 DDBDRO C[NH+](C)C[C@@H](O)CNc1c(Br)cccc1[N+](=O)[O-] ZINC000717299318 699287075 /nfs/dbraw/zinc/28/70/75/699287075.db2.gz QCLLUPSGASFHOD-QMMMGPOBSA-N 1 0 318.171 1.692 20 5 DDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)cc1 ZINC000725373217 699331601 /nfs/dbraw/zinc/33/16/01/699331601.db2.gz CZPZIHPFRGEJST-OLZOCXBDSA-N 1 0 311.363 1.110 20 5 DDBDRO C[NH+](C)CCn1nnnc1S/C=C/c1ccc([N+](=O)[O-])o1 ZINC000789906759 699418817 /nfs/dbraw/zinc/41/88/17/699418817.db2.gz CMDAWXLDVSNVRV-VMPITWQZSA-N 1 0 310.339 1.499 20 5 DDBDRO C[C@H](O)C[C@H]1CCCN1Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000794637417 699820528 /nfs/dbraw/zinc/82/05/28/699820528.db2.gz WINGXHOGAYGTTE-WDEREUQCSA-N 1 0 321.333 1.696 20 5 DDBDRO CC(C)[C@@H](C[NH+](C)C)NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000742670151 699886023 /nfs/dbraw/zinc/88/60/23/699886023.db2.gz HEJKJXNGIMTASU-CYBMUJFWSA-N 1 0 322.409 1.733 20 5 DDBDRO C[C@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000743978818 699931696 /nfs/dbraw/zinc/93/16/96/699931696.db2.gz PDLWCHKFWKHUDL-NSHDSACASA-N 1 0 320.349 1.134 20 5 DDBDRO C[NH+](C)CC(C)(C)CNC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000801797057 700339397 /nfs/dbraw/zinc/33/93/97/700339397.db2.gz JFUMLASRHPMANC-UHFFFAOYSA-N 1 0 312.345 1.634 20 5 DDBDRO CC[NH+]1CCC(N(C)C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1 ZINC000801869864 700348360 /nfs/dbraw/zinc/34/83/60/700348360.db2.gz LMDNKYULFQZQKQ-UHFFFAOYSA-N 1 0 324.356 1.872 20 5 DDBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000758332462 700699156 /nfs/dbraw/zinc/69/91/56/700699156.db2.gz BJFDNSBOFSVNLQ-RNCFNFMXSA-N 1 0 307.325 1.946 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@H](C(F)(F)F)C1 ZINC000761711013 700867765 /nfs/dbraw/zinc/86/77/65/700867765.db2.gz IVKRFSOUHDXMDC-VIFPVBQESA-N 1 0 305.256 1.641 20 5 DDBDRO COC(=O)c1ccc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)o1 ZINC000809734338 701683622 /nfs/dbraw/zinc/68/36/22/701683622.db2.gz DKPFUYXJAIUHNC-UHFFFAOYSA-N 1 0 319.317 1.940 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H](CCO)C1CC1 ZINC000771798010 701330990 /nfs/dbraw/zinc/33/09/90/701330990.db2.gz DELMONFPCZMVFD-CYBMUJFWSA-N 1 0 307.350 1.592 20 5 DDBDRO COc1ccc(OCC[NH2+][C@@H](CCO)C2CC2)c([N+](=O)[O-])c1 ZINC000771797481 701331008 /nfs/dbraw/zinc/33/10/08/701331008.db2.gz AXKHSIJUMKDNOM-ZDUSSCGKSA-N 1 0 310.350 1.733 20 5 DDBDRO COC(=O)[C@]1(C)CCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000839668352 701773836 /nfs/dbraw/zinc/77/38/36/701773836.db2.gz ZRGXFQMRYHLJCZ-GOEBONIOSA-N 1 0 322.361 1.903 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)O[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000810839419 701859957 /nfs/dbraw/zinc/85/99/57/701859957.db2.gz AYZLUZILNCPNHH-CHWSQXEVSA-N 1 0 322.365 1.660 20 5 DDBDRO COc1cc(C(=O)N[C@@H](C)C2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000868010423 701889900 /nfs/dbraw/zinc/88/99/00/701889900.db2.gz UPEOCHCHWNSDTK-JTQLQIEISA-N 1 0 307.350 1.721 20 5 DDBDRO C[N@@H+]1CC[C@H]2CN(C(=O)NCc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000868075530 701927136 /nfs/dbraw/zinc/92/71/36/701927136.db2.gz KXLFDLNUDGUOPQ-DZGCQCFKSA-N 1 0 318.377 1.830 20 5 DDBDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)Cc3cccc(F)c3[N+](=O)[O-])C2)C1 ZINC000868535305 702183139 /nfs/dbraw/zinc/18/31/39/702183139.db2.gz REFVXADOGIATRI-MRXNPFEDSA-N 1 0 321.352 1.831 20 5 DDBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1CCC(=O)N(C)C1 ZINC000866268631 706661796 /nfs/dbraw/zinc/66/17/96/706661796.db2.gz AIDOQAMNLRDTLZ-GWCFXTLKSA-N 1 0 309.341 1.875 20 5 DDBDRO Cc1ccc(CNC(=O)N(C)CC2C[NH+](C)C2)cc1[N+](=O)[O-] ZINC000869055723 702440464 /nfs/dbraw/zinc/44/04/64/702440464.db2.gz WOQJEWREXQEMBP-UHFFFAOYSA-N 1 0 306.366 1.606 20 5 DDBDRO CC(C)C[C@](C)(C[NH3+])NS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000842722725 702762854 /nfs/dbraw/zinc/76/28/54/702762854.db2.gz MINJALHKEYTWPH-GFCCVEGCSA-N 1 0 316.383 1.032 20 5 DDBDRO Cc1ccc([C@H](O)C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000843087316 702816073 /nfs/dbraw/zinc/81/60/73/702816073.db2.gz LPOPJZDHUXEJEF-UONOGXRCSA-N 1 0 306.318 1.853 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@@H](O)Cc2ccccc2)cc1 ZINC000843087538 702816113 /nfs/dbraw/zinc/81/61/13/702816113.db2.gz KCISCDLGJXSWJE-DLBZAZTESA-N 1 0 316.357 1.821 20 5 DDBDRO C[C@H]1C[NH2+]CCN1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000843348045 702864205 /nfs/dbraw/zinc/86/42/05/702864205.db2.gz QMYPENYHXJCIOW-VIFPVBQESA-N 1 0 312.757 1.480 20 5 DDBDRO C[C@@H](C[NH+]1CCCC1)OC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000845668440 703188262 /nfs/dbraw/zinc/18/82/62/703188262.db2.gz LXAQWAFQGKJMBS-NSHDSACASA-N 1 0 310.354 1.554 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)OC[C@H]2CC[N@@H+]2C(C)(C)C)n1 ZINC000845735918 703195006 /nfs/dbraw/zinc/19/50/06/703195006.db2.gz MZWRWFVBVVNPRN-SNVBAGLBSA-N 1 0 310.354 1.841 20 5 DDBDRO CCON(C)C(=O)C[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000846063368 703232861 /nfs/dbraw/zinc/23/28/61/703232861.db2.gz GSRINERESXLSKK-LBPRGKRZSA-N 1 0 309.366 1.915 20 5 DDBDRO CC(=O)C1CC[NH+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000846957464 703357492 /nfs/dbraw/zinc/35/74/92/703357492.db2.gz KYJJBWSOEFXQMG-OAHLLOKOSA-N 1 0 322.361 1.636 20 5 DDBDRO C[NH+](C)CCCNC(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000848579577 703564970 /nfs/dbraw/zinc/56/49/70/703564970.db2.gz IIFWFFHEOKUSSO-UHFFFAOYSA-N 1 0 317.292 1.634 20 5 DDBDRO O=[N+]([O-])c1ccccc1NCCc1noc(CC[NH2+]C2CC2)n1 ZINC000848621260 703569317 /nfs/dbraw/zinc/56/93/17/703569317.db2.gz LAIRTXANXPHSHP-UHFFFAOYSA-N 1 0 317.349 1.927 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCO[C@@H]2CC2(F)F)c1 ZINC000849327709 703635739 /nfs/dbraw/zinc/63/57/39/703635739.db2.gz UWFXGEKWRIQCKO-VXGBXAGGSA-N 1 0 302.277 1.642 20 5 DDBDRO Cc1cc(S(=O)(=O)N(C)CC(C)(C)[NH3+])cc([N+](=O)[O-])c1F ZINC000850589665 703738062 /nfs/dbraw/zinc/73/80/62/703738062.db2.gz ZRLUDTRRHLDJPH-UHFFFAOYSA-N 1 0 319.358 1.400 20 5 DDBDRO CCO[C@@H](CNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)C[NH+](C)C ZINC000831723002 706762575 /nfs/dbraw/zinc/76/25/75/706762575.db2.gz CLASWHCAGKTJCP-WFASDCNBSA-N 1 0 323.393 1.781 20 5 DDBDRO O=C1CC[C@H](C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)O1 ZINC000851844329 703868881 /nfs/dbraw/zinc/86/88/81/703868881.db2.gz VVWGGNHIXBTEKE-ZYHUDNBSSA-N 1 0 306.322 1.182 20 5 DDBDRO CC1(C)OC[C@@H](C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)O1 ZINC000851992367 703899169 /nfs/dbraw/zinc/89/91/69/703899169.db2.gz FITSCPHHUDFVBR-GFCCVEGCSA-N 1 0 310.354 1.580 20 5 DDBDRO CN(C(=O)CN1CCC[C@@H]2[NH2+]CC[C@@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000866721839 706775888 /nfs/dbraw/zinc/77/58/88/706775888.db2.gz QASCHZMIVFENPH-GJZGRUSLSA-N 1 0 318.377 1.384 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCC[C@](O)(C3CC3)C2)cc1 ZINC000852500766 704063856 /nfs/dbraw/zinc/06/38/56/704063856.db2.gz DKDYKZIVGDFEFH-HZPDHXFCSA-N 1 0 306.362 1.865 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCCOC2CCOCC2)c1 ZINC000819099750 704069806 /nfs/dbraw/zinc/06/98/06/704069806.db2.gz AJMXQBDHSXONQC-INIZCTEOSA-N 1 0 324.377 1.804 20 5 DDBDRO CC[C@@H](C[NH+](C)C)OC(=O)CCn1nc(C)c([N+](=O)[O-])c1C ZINC000870551819 704074601 /nfs/dbraw/zinc/07/46/01/704074601.db2.gz RBECLMUNQMACOV-LBPRGKRZSA-N 1 0 312.370 1.682 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CCC2(O)CCOCC2)cc1 ZINC000819304002 704103888 /nfs/dbraw/zinc/10/38/88/704103888.db2.gz PTDNAJQNJCDPPD-CQSZACIVSA-N 1 0 310.350 1.149 20 5 DDBDRO COc1ccncc1C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819330075 704108760 /nfs/dbraw/zinc/10/87/60/704108760.db2.gz WTBUSNWOPIDWRR-AWEZNQCLSA-N 1 0 303.318 1.822 20 5 DDBDRO C[C@]1(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1(Cl)Cl ZINC000819346320 704110838 /nfs/dbraw/zinc/11/08/38/704110838.db2.gz FGJFBJDAPQAPJU-NXEZZACHSA-N 1 0 323.180 1.326 20 5 DDBDRO O=C1[C@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@H]2CCCCN12 ZINC000819360054 704113065 /nfs/dbraw/zinc/11/30/65/704113065.db2.gz YXCBRIVWRFDJBO-RRFJBIMHSA-N 1 0 319.361 1.371 20 5 DDBDRO CC(C)[C@H](C(=O)OC1CC(n2cc([N+](=O)[O-])cn2)C1)[NH+](C)C ZINC000870828530 704137784 /nfs/dbraw/zinc/13/77/84/704137784.db2.gz RBMGRLXNZROQTF-KGPNIALWSA-N 1 0 310.354 1.624 20 5 DDBDRO CC(C)[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])nc1Br ZINC000853064144 704191339 /nfs/dbraw/zinc/19/13/39/704191339.db2.gz FDTCNIAXLLGCNM-MRVPVSSYSA-N 1 0 321.175 1.255 20 5 DDBDRO COC[C@H]1CCCN1Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853500388 704251304 /nfs/dbraw/zinc/25/13/04/704251304.db2.gz JNOASLJTOYDDEE-GFCCVEGCSA-N 1 0 317.349 1.922 20 5 DDBDRO C[C@@]12COC[C@H]1C[N@H+](Cn1ncc3ccc([N+](=O)[O-])cc31)C2 ZINC000853565927 704271855 /nfs/dbraw/zinc/27/18/55/704271855.db2.gz KQZQQFKFJRNRFM-IUODEOHRSA-N 1 0 302.334 1.870 20 5 DDBDRO COc1cc(N2CCC([NH2+]CCO)CC2)c([N+](=O)[O-])cc1C ZINC000820680986 704319274 /nfs/dbraw/zinc/31/92/74/704319274.db2.gz FUQHLVMANAVEAK-UHFFFAOYSA-N 1 0 309.366 1.463 20 5 DDBDRO Nc1ccc(NC(=O)C2CC[NH+](C3CC3)CC2)cc1[N+](=O)[O-] ZINC000854495984 704407846 /nfs/dbraw/zinc/40/78/46/704407846.db2.gz ZRYNJIREMPEPTR-UHFFFAOYSA-N 1 0 304.350 1.990 20 5 DDBDRO C[C@H](CCNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C)[NH+](C)C ZINC000855414430 704484404 /nfs/dbraw/zinc/48/44/04/704484404.db2.gz ZCUDYIVAPGUKCJ-LLVKDONJSA-N 1 0 308.382 1.731 20 5 DDBDRO O=C(N[C@@H]1CC[NH2+]C1)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857763037 704621750 /nfs/dbraw/zinc/62/17/50/704621750.db2.gz MRWYMPAUOOVHMG-MRVPVSSYSA-N 1 0 301.249 1.045 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000821955462 704847782 /nfs/dbraw/zinc/84/77/82/704847782.db2.gz RFDCLAXUZKKRFA-OAHLLOKOSA-N 1 0 307.350 1.008 20 5 DDBDRO CC[C@@H]1[NH2+]CC[C@H]1c1nc(-c2c([N+](=O)[O-])nc(C)n2C)no1 ZINC000823094028 705137076 /nfs/dbraw/zinc/13/70/76/705137076.db2.gz MKSQWXUFMVSTBD-BDAKNGLRSA-N 1 0 306.326 1.542 20 5 DDBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000823970664 705347448 /nfs/dbraw/zinc/34/74/48/705347448.db2.gz GTSFGJNGYMAYJE-ZIAGYGMSSA-N 1 0 307.350 1.229 20 5 DDBDRO CN(CC1C[NH+](C)C1)C(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000825180179 705617576 /nfs/dbraw/zinc/61/75/76/705617576.db2.gz FZWUNVWQOBMZHM-HUUCEWRRSA-N 1 0 303.362 1.718 20 5 DDBDRO C[N@@H+]1CCCC[C@@H](CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000862788448 705798141 /nfs/dbraw/zinc/79/81/41/705798141.db2.gz CVSGDGAAHYKAMU-NSHDSACASA-N 1 0 306.366 1.639 20 5 DDBDRO C[N@@H+]1CCCC[C@@H](CNC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000862794749 705800317 /nfs/dbraw/zinc/80/03/17/705800317.db2.gz HARPOQYTXYZJGK-SWLSCSKDSA-N 1 0 321.377 1.476 20 5 DDBDRO C[C@]1(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C[NH2+]CCO1 ZINC000876704260 705827667 /nfs/dbraw/zinc/82/76/67/705827667.db2.gz WCVXMMWBOSMFRP-CYBMUJFWSA-N 1 0 313.741 1.243 20 5 DDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]CCN3CCCCCC3)C2)c1 ZINC000876914679 705921087 /nfs/dbraw/zinc/92/10/87/705921087.db2.gz VIETVLIPQZIMTM-UHFFFAOYSA-N 1 0 307.398 1.960 20 5 DDBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000827137219 705937815 /nfs/dbraw/zinc/93/78/15/705937815.db2.gz VHAHOYQPYMMQOU-ILXRZTDVSA-N 1 0 303.362 1.909 20 5 DDBDRO CO[C@@H](C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)C(F)(F)F ZINC000877026253 705963562 /nfs/dbraw/zinc/96/35/62/705963562.db2.gz BCKMZWIYQBEQFE-KTOWXAHTSA-N 1 0 308.260 1.662 20 5 DDBDRO C[NH2+]CCOCCN(C)C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000877028788 705964969 /nfs/dbraw/zinc/96/49/69/705964969.db2.gz DLFQQWSTBNCMEU-UHFFFAOYSA-N 1 0 315.757 1.556 20 5 DDBDRO CS[C@H](CO)[C@H](C)[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877048531 705971504 /nfs/dbraw/zinc/97/15/04/705971504.db2.gz LZOQOPZOOJMWLY-ULCALQBOSA-N 1 0 300.384 1.197 20 5 DDBDRO CC(C)(C)OC(=O)CC[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877058736 705974243 /nfs/dbraw/zinc/97/42/43/705974243.db2.gz LSZWSODXPIMULG-UHFFFAOYSA-N 1 0 310.354 1.816 20 5 DDBDRO CCCc1n[nH]c(C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000827321177 705974926 /nfs/dbraw/zinc/97/49/26/705974926.db2.gz USKDPSJOXSECDK-CMPLNLGQSA-N 1 0 321.381 1.437 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2C3CCC2(C[NH3+])CC3)c1 ZINC000877191476 706012269 /nfs/dbraw/zinc/01/22/69/706012269.db2.gz WPXWXJAOCRLMRF-UHFFFAOYSA-N 1 0 305.334 1.699 20 5 DDBDRO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cc(F)ccc1[N+](=O)[O-] ZINC000877245683 706032137 /nfs/dbraw/zinc/03/21/37/706032137.db2.gz LJOJCJNTJVZUGF-YHPBZONMSA-N 1 0 307.325 1.994 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000877485245 706120172 /nfs/dbraw/zinc/12/01/72/706120172.db2.gz NNQOUNWGBJULCG-MRXNPFEDSA-N 1 0 303.362 1.924 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C(CF)CF)CC2)cn1 ZINC000877556250 706141713 /nfs/dbraw/zinc/14/17/13/706141713.db2.gz NQCVUAGHTZVAPY-UHFFFAOYSA-N 1 0 300.309 1.856 20 5 DDBDRO C[C@H]1C[C@@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)c2nccn21 ZINC000877570803 706145977 /nfs/dbraw/zinc/14/59/77/706145977.db2.gz TUUUUZVJKXNAAM-HHISKICNSA-N 1 0 302.338 1.987 20 5 DDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]CC(O)(C3CC3)C3CC3)C2)c1 ZINC000877632184 706165482 /nfs/dbraw/zinc/16/54/82/706165482.db2.gz RFVWHQRLPRPYNM-UHFFFAOYSA-N 1 0 306.366 1.636 20 5 DDBDRO CCOC(=O)C1=CC[C@@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000877655396 706171638 /nfs/dbraw/zinc/17/16/38/706171638.db2.gz WZCXCDYGJIYZJI-PNESKVBLSA-N 1 0 320.349 1.736 20 5 DDBDRO CC[N@@H+]1CC[C@H]1CNC(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC000829455185 706336460 /nfs/dbraw/zinc/33/64/60/706336460.db2.gz LCKGZXLVLWIIND-ZDUSSCGKSA-N 1 0 309.341 1.877 20 5 DDBDRO C[C@H]([NH2+]CC(=O)N1CCO[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000830156583 706465701 /nfs/dbraw/zinc/46/57/01/706465701.db2.gz VGJJWKRDCATLBX-RYUDHWBXSA-N 1 0 307.350 1.493 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC[C@H](c3nccs3)C2)c1 ZINC000880318445 706939346 /nfs/dbraw/zinc/93/93/46/706939346.db2.gz ZEQFUSSTOJCZJY-JQWIXIFHSA-N 1 0 323.378 1.098 20 5 DDBDRO CO[C@@H]1COCC[C@@H]1[N@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000880433022 706974450 /nfs/dbraw/zinc/97/44/50/706974450.db2.gz SSEABQYWVCCHAV-RRFJBIMHSA-N 1 0 310.350 1.364 20 5 DDBDRO C[C@H](NC[C@@H](O)C[NH+]1CCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872026075 707282283 /nfs/dbraw/zinc/28/22/83/707282283.db2.gz ACSHKWGCZPCLGB-NWDGAFQWSA-N 1 0 311.357 1.841 20 5 DDBDRO Cn1nnc2c1C[C@@H]([NH2+][C@H]1CCc3c1cccc3[N+](=O)[O-])CC2 ZINC000927140082 712946335 /nfs/dbraw/zinc/94/63/35/712946335.db2.gz CHBLYBQIPJUPQJ-GWCFXTLKSA-N 1 0 313.361 1.858 20 5 DDBDRO CN(C(=O)C[NH2+][C@]12CCC[C@H]1OCC2)c1ccc([N+](=O)[O-])cc1 ZINC000872314383 707377436 /nfs/dbraw/zinc/37/74/36/707377436.db2.gz BURDDCTZVXNHQK-ZBFHGGJFSA-N 1 0 319.361 1.859 20 5 DDBDRO O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000881833400 707386274 /nfs/dbraw/zinc/38/62/74/707386274.db2.gz HMMUKLOKKFXYPW-PHIMTYICSA-N 1 0 316.361 1.143 20 5 DDBDRO Cc1c(C[NH2+]C[C@@H]2CCCN2CCCO)cccc1[N+](=O)[O-] ZINC000873128783 707742244 /nfs/dbraw/zinc/74/22/44/707742244.db2.gz DJOLSMUDWAVFMC-HNNXBMFYSA-N 1 0 307.394 1.840 20 5 DDBDRO Cc1c(C[NH2+]C[C@H]2CCCS(=O)(=O)C2)cccc1[N+](=O)[O-] ZINC000873127198 707742379 /nfs/dbraw/zinc/74/23/79/707742379.db2.gz ONYHNDPCTOUFRP-GFCCVEGCSA-N 1 0 312.391 1.818 20 5 DDBDRO CC(C)O[C@@]1(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CCOC1 ZINC000896667576 708112692 /nfs/dbraw/zinc/11/26/92/708112692.db2.gz NKRZGTFNULKRPN-SSDMNJCBSA-N 1 0 324.381 1.669 20 5 DDBDRO COC(=O)c1cnc(N(C)CC(C)(C)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000897419779 708321915 /nfs/dbraw/zinc/32/19/15/708321915.db2.gz SBABPFHRPTXHNA-UHFFFAOYSA-N 1 0 324.381 1.800 20 5 DDBDRO CN(CC[N@H+](C)CCO)C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000912608367 713047676 /nfs/dbraw/zinc/04/76/76/713047676.db2.gz TYPZPTSIRZYHRM-UHFFFAOYSA-N 1 0 315.757 1.244 20 5 DDBDRO COC(=O)[C@@H]1C[N@H+](Cc2cccnc2[N+](=O)[O-])C[C@H]1C1CC1 ZINC000886268939 708733285 /nfs/dbraw/zinc/73/32/85/708733285.db2.gz GBWBUAYDQRMJJW-QWHCGFSZSA-N 1 0 305.334 1.621 20 5 DDBDRO CCN(CCC(=O)Nc1cccc([N+](=O)[O-])c1C)[C@H]1CC[NH2+]C1 ZINC000886854447 708864849 /nfs/dbraw/zinc/86/48/49/708864849.db2.gz OXSURWMPGCSGLZ-ZDUSSCGKSA-N 1 0 320.393 1.916 20 5 DDBDRO Cc1nn(C)c(C(=O)N[C@H]2C[C@@H]([NH+](C)C)C23CCC3)c1[N+](=O)[O-] ZINC000898840297 708885994 /nfs/dbraw/zinc/88/59/94/708885994.db2.gz IFGNOQHRGZCUFJ-WDEREUQCSA-N 1 0 321.381 1.239 20 5 DDBDRO COC[C@H]([NH2+]CCn1c(C)ncc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000886918184 708894604 /nfs/dbraw/zinc/89/46/04/708894604.db2.gz TYPVDUULUHZYHH-STQMWFEESA-N 1 0 312.370 1.131 20 5 DDBDRO CC[NH+]1CCN(CC(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000928249933 713157429 /nfs/dbraw/zinc/15/74/29/713157429.db2.gz XGSUYZIFQNHYMG-CYBMUJFWSA-N 1 0 320.393 1.410 20 5 DDBDRO C[C@@H](NC(=O)N[C@H]1C[NH2+]CC[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000892078224 710367466 /nfs/dbraw/zinc/36/74/66/710367466.db2.gz NSMHOZNMTNYHQX-WZRBSPASSA-N 1 0 306.366 1.953 20 5 DDBDRO C[C@]1(NC(=O)c2cc(F)ccc2[N+](=O)[O-])C[NH+]2CCC1CC2 ZINC000892785450 710498178 /nfs/dbraw/zinc/49/81/78/710498178.db2.gz OHXBDRJPIPMZDS-HNNXBMFYSA-N 1 0 307.325 1.948 20 5 DDBDRO C[C@@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000893026410 710543756 /nfs/dbraw/zinc/54/37/56/710543756.db2.gz MXNALHLYDRBDCL-OLZOCXBDSA-N 1 0 323.397 1.513 20 5 DDBDRO C[C@@H]1[C@@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000928444671 713199167 /nfs/dbraw/zinc/19/91/67/713199167.db2.gz LQNYSNGWTNEZQQ-NEPJUHHUSA-N 1 0 307.350 1.573 20 5 DDBDRO COc1cc([N+](=O)[O-])cnc1NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000893685461 710777095 /nfs/dbraw/zinc/77/70/95/710777095.db2.gz NYDPIBKBZFFHBN-UHFFFAOYSA-N 1 0 323.397 1.436 20 5 DDBDRO CNc1nccc(C(=O)N2CCC(C)([NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000913393084 713207416 /nfs/dbraw/zinc/20/74/16/713207416.db2.gz PGGZUAORHFSWFB-UHFFFAOYSA-N 1 0 321.381 1.588 20 5 DDBDRO COc1cc([C@@H](C)NC[C@@H](O)C[NH+]2CCCC2)cc([N+](=O)[O-])c1 ZINC000903076272 711025512 /nfs/dbraw/zinc/02/55/12/711025512.db2.gz MJOGSNOXBMWZDP-IUODEOHRSA-N 1 0 323.393 1.711 20 5 DDBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@@H]2CCO[C@@]23CCOC3)cc1 ZINC000903120977 711038387 /nfs/dbraw/zinc/03/83/87/711038387.db2.gz RAOIXCSKKZSRBX-HUUCEWRRSA-N 1 0 308.334 1.511 20 5 DDBDRO COc1cc([C@@H](C)[NH2+]C[C@@H]2CCCNC2=O)cc([N+](=O)[O-])c1 ZINC000903184473 711058589 /nfs/dbraw/zinc/05/85/89/711058589.db2.gz CJGQZRNOMQEKHF-MNOVXSKESA-N 1 0 307.350 1.780 20 5 DDBDRO C[NH2+]C1CC(C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000912000847 711110878 /nfs/dbraw/zinc/11/08/78/711110878.db2.gz LOQWEBNMKYDDBW-UHFFFAOYSA-N 1 0 318.377 1.241 20 5 DDBDRO C[NH2+]CCN(C(C)C)S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC000903591668 711214655 /nfs/dbraw/zinc/21/46/55/711214655.db2.gz QINXXGJIFVIETN-UHFFFAOYSA-N 1 0 321.424 1.583 20 5 DDBDRO O=[N+]([O-])c1ncccc1CN1CC[NH2+]CCC12CCOCC2 ZINC000903819164 711291646 /nfs/dbraw/zinc/29/16/46/711291646.db2.gz DMRDVGHCGNSGSI-UHFFFAOYSA-N 1 0 306.366 1.334 20 5 DDBDRO COc1cc(CN2C[C@H]([NH3+])C(C)(C)C2)c([N+](=O)[O-])cc1OC ZINC000903984567 711358652 /nfs/dbraw/zinc/35/86/52/711358652.db2.gz JFAJSPOWFHDKAS-AWEZNQCLSA-N 1 0 309.366 1.781 20 5 DDBDRO C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000895278835 711475055 /nfs/dbraw/zinc/47/50/55/711475055.db2.gz DGEDRPNKIQSBJV-NSHDSACASA-N 1 0 316.317 1.934 20 5 DDBDRO COc1c(O)ccc(C[NH2+][C@@H]2CO[C@H](C3CC3)C2)c1[N+](=O)[O-] ZINC000895633327 711565385 /nfs/dbraw/zinc/56/53/85/711565385.db2.gz BSOFHJWVBIYWJB-AAEUAGOBSA-N 1 0 308.334 1.966 20 5 DDBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@H](O)C2(O)CCC2)c1 ZINC000905158481 711955172 /nfs/dbraw/zinc/95/51/72/711955172.db2.gz GEGQGYXXXWLHCX-LBPRGKRZSA-N 1 0 300.742 1.614 20 5 DDBDRO CC(C)[NH2+]Cc1cn(CCOc2cccc([N+](=O)[O-])c2)nn1 ZINC000905793306 712147932 /nfs/dbraw/zinc/14/79/32/712147932.db2.gz UZXCNJNGPSANKP-UHFFFAOYSA-N 1 0 305.338 1.763 20 5 DDBDRO C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C[C@@H]1[NH3+] ZINC000906635751 712375403 /nfs/dbraw/zinc/37/54/03/712375403.db2.gz NQJCGCNQDVOLFN-KAOXEZKKSA-N 1 0 303.362 1.894 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC1CC([NH+](C)C)C1 ZINC000916956470 713475846 /nfs/dbraw/zinc/47/58/46/713475846.db2.gz SPOIPHKESCOFIO-UHFFFAOYSA-N 1 0 313.379 1.274 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000929119528 713550577 /nfs/dbraw/zinc/55/05/77/713550577.db2.gz NSWQEECPHOLZLZ-TXEJJXNPSA-N 1 0 304.350 1.929 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)NCCC[NH+]1CCCCC1 ZINC000929421080 713607324 /nfs/dbraw/zinc/60/73/24/713607324.db2.gz UEWGSYRBLCIEEX-UHFFFAOYSA-N 1 0 309.370 1.092 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)NCCC[NH+]1CCCCCC1 ZINC000929470818 713618566 /nfs/dbraw/zinc/61/85/66/713618566.db2.gz PDJIZSWVWPFJJX-UHFFFAOYSA-N 1 0 323.397 1.482 20 5 DDBDRO C[NH+](C)C1(CNC(=O)NCCc2ccccc2[N+](=O)[O-])CC1 ZINC000920598675 713682110 /nfs/dbraw/zinc/68/21/10/713682110.db2.gz JVPHXETUFLZAON-UHFFFAOYSA-N 1 0 306.366 1.531 20 5 DDBDRO CCOc1cc(CN2CC[N@H+](C)[C@H](CO)C2)ccc1[N+](=O)[O-] ZINC000931402702 714086347 /nfs/dbraw/zinc/08/63/47/714086347.db2.gz XGKPRDMFWMPCAI-ZDUSSCGKSA-N 1 0 309.366 1.102 20 5 DDBDRO CCO[C@@H](CNCc1ccc(OC)c([N+](=O)[O-])c1)C[NH+](C)C ZINC000922757131 714139068 /nfs/dbraw/zinc/13/90/68/714139068.db2.gz RCGOZGMCOFAIBH-ZDUSSCGKSA-N 1 0 311.382 1.660 20 5 DDBDRO COC1(OC)CC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000931639134 714146485 /nfs/dbraw/zinc/14/64/85/714146485.db2.gz HRXSNKGRYHOMBD-SMDDNHRTSA-N 1 0 310.350 1.712 20 5 DDBDRO COC(=O)C[C@@H]1C[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C[C@H]1C ZINC000932099098 714258009 /nfs/dbraw/zinc/25/80/09/714258009.db2.gz JIBFGPUCWDCDLX-ZYHUDNBSSA-N 1 0 310.354 1.231 20 5 DDBDRO COC[C@H](C)OC[C@@H](O)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000932178375 714279653 /nfs/dbraw/zinc/27/96/53/714279653.db2.gz ZMVNOKNCWLRJBS-ZOWXZIJZSA-N 1 0 312.366 1.658 20 5 DDBDRO C[C@@H]([NH2+]C[C@H](O)COC[C@@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000932180616 714280131 /nfs/dbraw/zinc/28/01/31/714280131.db2.gz ASLNBIVQSVQECH-KCXAZCMYSA-N 1 0 324.377 1.802 20 5 DDBDRO C[C@@H]1CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000932348343 714315677 /nfs/dbraw/zinc/31/56/77/714315677.db2.gz MVJBYCKZTWJVDC-OCCSQVGLSA-N 1 0 310.350 1.445 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000933332645 714564513 /nfs/dbraw/zinc/56/45/13/714564513.db2.gz IKYWWRSYKDXNSV-CYBMUJFWSA-N 1 0 321.381 1.044 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+]C1([C@@H]2CCCCO2)CC1 ZINC000933375964 714575333 /nfs/dbraw/zinc/57/53/33/714575333.db2.gz UQNRKIVBFCRXLI-ZDUSSCGKSA-N 1 0 307.350 1.448 20 5 DDBDRO CC(C)NC(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000934044755 714731191 /nfs/dbraw/zinc/73/11/91/714731191.db2.gz YJAPDSARVCIYET-UHFFFAOYSA-N 1 0 321.381 1.877 20 5 DDBDRO C[C@H]1[C@@H](NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000925343009 714820597 /nfs/dbraw/zinc/82/05/97/714820597.db2.gz KVTHVQZDCIDNMQ-JSGCOSHPSA-N 1 0 320.393 1.871 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(N2CCN3CC[NH2+]C[C@H]3C2)nc1Cl ZINC001164398609 718832107 /nfs/dbraw/zinc/83/21/07/718832107.db2.gz HORRIOMCYMWMFZ-JTQLQIEISA-N 1 0 311.773 1.045 20 5 DDBDRO Cc1cnc(N2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)c([N+](=O)[O-])c1 ZINC001164922021 721849557 /nfs/dbraw/zinc/84/95/57/721849557.db2.gz PQLPXMCEHCNYNH-UONOGXRCSA-N 1 0 319.409 1.513 20 5 DDBDRO CC1(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccccc4[N+](=O)[O-])C[C@H]32)CC1 ZINC001025799451 736859605 /nfs/dbraw/zinc/85/96/05/736859605.db2.gz OVFXJSWCWZKPHF-NHAGDIPZSA-N 1 0 315.373 1.941 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@@H](NC(=O)C2CC=CC2)C1 ZINC001021919356 733664998 /nfs/dbraw/zinc/66/49/98/733664998.db2.gz WUNPTFWEQAMFBX-TXEJJXNPSA-N 1 0 319.365 1.031 20 5 DDBDRO COc1cccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c1 ZINC001022063676 734368204 /nfs/dbraw/zinc/36/82/04/734368204.db2.gz GNULRKCVNQEIFE-AYRXBEOTSA-N 1 0 319.361 1.097 20 5 DDBDRO O=C(NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1cc[nH]c(=O)c1 ZINC001125604479 734764537 /nfs/dbraw/zinc/76/45/37/734764537.db2.gz BIRFIQVHMLPWBK-UHFFFAOYSA-N 1 0 316.317 1.215 20 5 DDBDRO O=[N+]([O-])c1cc(NCC[NH+]2CCSCC2)cn2ccnc12 ZINC001167837114 738997878 /nfs/dbraw/zinc/99/78/78/738997878.db2.gz MUMPOVUREANSKC-UHFFFAOYSA-N 1 0 307.379 1.703 20 5 DDBDRO CN(CCN(C)c1ncccc1[N+](=O)[O-])C(=O)CCC[NH+](C)C ZINC001105538728 742107961 /nfs/dbraw/zinc/10/79/61/742107961.db2.gz GWUNHKAJRRVUSB-UHFFFAOYSA-N 1 0 323.397 1.226 20 5 DDBDRO C[C@@H](c1ccccc1)[N@H+](CCO)CCn1ccc([N+](=O)[O-])n1 ZINC001168307732 742173477 /nfs/dbraw/zinc/17/34/77/742173477.db2.gz FCNAZJANKUYLEA-ZDUSSCGKSA-N 1 0 304.350 1.847 20 5 DDBDRO Cc1nn(C)c(C(=O)NCCCC[N@H+](C)C2CC2)c1[N+](=O)[O-] ZINC001183658329 743888499 /nfs/dbraw/zinc/88/84/99/743888499.db2.gz GTFRAAOPXYYTLB-UHFFFAOYSA-N 1 0 309.370 1.241 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCC(c3ncco3)CC2)c1 ZINC001196788534 746961560 /nfs/dbraw/zinc/96/15/60/746961560.db2.gz CILFAPZGRICWIB-ZDUSSCGKSA-N 1 0 321.337 1.020 20 5 DDBDRO O=C1OCC[C@]12CC[N@@H+](CCOc1ccccc1[N+](=O)[O-])C2 ZINC001198810255 747619835 /nfs/dbraw/zinc/61/98/35/747619835.db2.gz MIHWBCPFLRBZEH-HNNXBMFYSA-N 1 0 306.318 1.613 20 5 DDBDRO CCN(CCNc1ncc(C)cc1[N+](=O)[O-])C(=O)CC[NH+](C)C ZINC001106946472 748216281 /nfs/dbraw/zinc/21/62/81/748216281.db2.gz JTNHMULWKXRGTC-UHFFFAOYSA-N 1 0 323.397 1.510 20 5 DDBDRO C[NH+]1CCN(C(=N)Nc2ncc3cccc([N+](=O)[O-])c3n2)CC1 ZINC001168736903 748480986 /nfs/dbraw/zinc/48/09/86/748480986.db2.gz ROJPABUNKZRZAZ-UHFFFAOYSA-N 1 0 315.337 1.132 20 5 DDBDRO Cc1ccc(C[NH2+]C[C@H]2COC3(CCOCC3)O2)cc1[N+](=O)[O-] ZINC001201676398 748566276 /nfs/dbraw/zinc/56/62/76/748566276.db2.gz PXOJWOLEZLERTL-AWEZNQCLSA-N 1 0 322.361 1.915 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]C1CCN(C(=O)C2(C)CC2)CC1 ZINC000996615410 749785894 /nfs/dbraw/zinc/78/58/94/749785894.db2.gz GUKHHENYCYSDGG-UHFFFAOYSA-N 1 0 321.381 1.209 20 5 DDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CCC2CCS(=O)(=O)CC2)C1 ZINC001168970657 762160794 /nfs/dbraw/zinc/16/07/94/762160794.db2.gz HZQJOFCQXYGPAV-STQMWFEESA-N 1 0 304.412 1.236 20 5 DDBDRO [NH3+][C@H]1CC[C@H](N(c2ccncn2)[C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168993356 762166654 /nfs/dbraw/zinc/16/66/54/762166654.db2.gz MWMZRQZPINKODZ-TUVASFSCSA-N 1 0 319.409 1.998 20 5 DDBDRO O=C(C1CCCC1)N1CC[C@@H]([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168990706 762182245 /nfs/dbraw/zinc/18/22/45/762182245.db2.gz DMEYQZRXBQEQJN-AEGPPILISA-N 1 0 309.410 1.813 20 5 DDBDRO COc1cc([N+](=O)[O-])cnc1NCc1ncn2c1C[NH2+]CCC2 ZINC001169236737 762301157 /nfs/dbraw/zinc/30/11/57/762301157.db2.gz GSFAGLWPJHMJOX-UHFFFAOYSA-N 1 0 318.337 1.300 20 5 DDBDRO Cc1cc(N2CCOCC23C[NH2+]C3)nc2ccc([N+](=O)[O-])cc12 ZINC001165287728 756939485 /nfs/dbraw/zinc/93/94/85/756939485.db2.gz OMBBQPOAIXMHNK-UHFFFAOYSA-N 1 0 314.345 1.630 20 5 DDBDRO Cc1cccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c1 ZINC001020139367 760613675 /nfs/dbraw/zinc/61/36/75/760613675.db2.gz ZJUNEQVMXPERPY-KBUPBQIOSA-N 1 0 303.362 1.397 20 5 DDBDRO COC(=O)[C@@H]([NH3+])C1CCN(c2ccc([N+](=O)[O-])c(C)n2)CC1 ZINC001155153983 760693939 /nfs/dbraw/zinc/69/39/39/760693939.db2.gz JEZVEBVTPVHYLI-ZDUSSCGKSA-N 1 0 308.338 1.015 20 5 DDBDRO CC1(C)CC(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001086084242 760945221 /nfs/dbraw/zinc/94/52/21/760945221.db2.gz JEBHUHAPTRBUGP-YXCITZCRSA-N 1 0 309.410 1.572 20 5 DDBDRO O=C(CCc1ccon1)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001131344812 768001133 /nfs/dbraw/zinc/00/11/33/768001133.db2.gz NTIDDQAIEONGMR-UHFFFAOYSA-N 1 0 318.333 1.421 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@H](CNC(=O)C2CCC2)C1 ZINC001086289703 761307346 /nfs/dbraw/zinc/30/73/46/761307346.db2.gz FPGKQZZNZADXEE-UMSPYCQHSA-N 1 0 321.381 1.113 20 5 DDBDRO O=C(NCC1CC[NH+](C/C=C\Cl)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001001399240 762825246 /nfs/dbraw/zinc/82/52/46/762825246.db2.gz KIFRCXRWFWYWDP-QBEVBOACSA-N 1 0 301.774 1.232 20 5 DDBDRO CSc1nc(Cl)nc(-n2ccc([C@H](C)[NH3+])n2)c1[N+](=O)[O-] ZINC001158350730 768134089 /nfs/dbraw/zinc/13/40/89/768134089.db2.gz NXPJMFOXRFXZKZ-YFKPBYRVSA-N 1 0 314.758 1.966 20 5 DDBDRO COc1ccc(C[C@H](C)[NH2+]C[C@H]2CCCC(=O)N2)c([N+](=O)[O-])c1 ZINC001170327729 766254064 /nfs/dbraw/zinc/25/40/64/766254064.db2.gz HGTJJPFYJNKVEK-WCQYABFASA-N 1 0 321.377 1.793 20 5 DDBDRO CC(F)(F)CC(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001133446497 769828241 /nfs/dbraw/zinc/82/82/41/769828241.db2.gz GLOHTAQXVXZJSY-UHFFFAOYSA-N 1 0 301.293 1.846 20 5 DDBDRO CCOC(=O)C1C[NH2+]CCC1=Nc1ccc([N+](=O)[O-])c(C)n1 ZINC001159453404 771434983 /nfs/dbraw/zinc/43/49/83/771434983.db2.gz PDLQIIHJMWSXFD-UHFFFAOYSA-N 1 0 306.322 1.521 20 5 DDBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001136922230 772211060 /nfs/dbraw/zinc/21/10/60/772211060.db2.gz AMYYMIPUZRVKFL-YGRLFVJLSA-N 1 0 306.366 1.589 20 5 DDBDRO CN(CC(=O)Nc1cc2nc3ccccc3nc2cc1N)C(N)=[NH2+] ZINC001144138024 772421542 /nfs/dbraw/zinc/42/15/42/772421542.db2.gz ZZQGQIKLDRZXRF-UHFFFAOYSA-N 1 0 323.360 1.129 20 5 DDBDRO O=C(C[NH+]1CCCC1)NCCNc1ccc([N+](=O)[O-])cc1F ZINC001093652518 774952783 /nfs/dbraw/zinc/95/27/83/774952783.db2.gz SQTGLHQQPWPMLV-UHFFFAOYSA-N 1 0 310.329 1.358 20 5 DDBDRO Cc1cc([N+](=O)[O-])cnc1NCCNC(=O)CCC[NH+](C)C ZINC001094094667 775427911 /nfs/dbraw/zinc/42/79/11/775427911.db2.gz XUOXDJSGYSWFFZ-UHFFFAOYSA-N 1 0 309.370 1.168 20 5 DDBDRO [NH3+]Cc1nccnc1Nc1ncnc2sc([N+](=O)[O-])cc21 ZINC001171449893 776175400 /nfs/dbraw/zinc/17/54/00/776175400.db2.gz KWZYKJIXYDFWJB-UHFFFAOYSA-N 1 0 303.307 1.592 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]C[C@H]1COCCO1)CC2 ZINC001172900837 776915158 /nfs/dbraw/zinc/91/51/58/776915158.db2.gz GLIIIQLBORZKSG-ZBFHGGJFSA-N 1 0 306.362 1.847 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CCn2cncn2)c1F ZINC001173180396 777035697 /nfs/dbraw/zinc/03/56/97/777035697.db2.gz VYXLAVYIZFSQRQ-SNVBAGLBSA-N 1 0 323.328 1.555 20 5 DDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1CN(c2ncccn2)C1 ZINC001173220302 777052515 /nfs/dbraw/zinc/05/25/15/777052515.db2.gz XSLVXCAWQPHEQD-LBPRGKRZSA-N 1 0 313.361 1.794 20 5 DDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCO[C@@H]2C[C@H](CO)C[C@@H]21 ZINC001173222792 777056073 /nfs/dbraw/zinc/05/60/73/777056073.db2.gz VPBHAYCIMQMLMB-QIJZBDPFSA-N 1 0 320.389 1.998 20 5 DDBDRO CC[NH+](CC)CC(=O)N(C)CCNc1nc(C)ccc1[N+](=O)[O-] ZINC001101628349 777323415 /nfs/dbraw/zinc/32/34/15/777323415.db2.gz DFLVVMBMUHHDOG-UHFFFAOYSA-N 1 0 323.397 1.510 20 5 DDBDRO Cc1nc[nH]c1C(=O)NCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001177564392 778649888 /nfs/dbraw/zinc/64/98/88/778649888.db2.gz SIDSUPFFWZIAQY-UHFFFAOYSA-N 1 0 323.378 1.598 20 5 DDBDRO Cc1c(C(=O)NC[C@@H]2C[NH+]3CCC2CC3)cccc1[N+](=O)[O-] ZINC001179896309 779521949 /nfs/dbraw/zinc/52/19/49/779521949.db2.gz XOVDZVBIPKTXDN-CYBMUJFWSA-N 1 0 303.362 1.975 20 5 DDBDRO O=[N+]([O-])c1cc2c(cc1CN1C[C@@H](O)C3(CC3)C1)OCCO2 ZINC001116696703 780545656 /nfs/dbraw/zinc/54/56/56/780545656.db2.gz RNBCSLYMGPHZJY-CQSZACIVSA-N 1 0 306.318 1.323 20 5 DDBDRO C[NH+](C)[C@@H]1CC[C@@H]2CN(c3ccc(N)c([N+](=O)[O-])n3)C[C@@H]2C1 ZINC001119982018 781708326 /nfs/dbraw/zinc/70/83/26/781708326.db2.gz FQAINAKIIVACJJ-GRYCIOLGSA-N 1 0 305.382 1.739 20 5 DDBDRO CN(C)/C=C/c1cc(N2CCn3nncc3C2)ncc1[N+](=O)[O-] ZINC001154822836 861486857 /nfs/dbraw/zinc/48/68/57/861486857.db2.gz VHDCIHGWWVGOJA-ONEGZZNKSA-N 1 0 315.337 1.134 20 5 DDBDRO O=C(NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1cncs1 ZINC001155207781 861840445 /nfs/dbraw/zinc/84/04/45/861840445.db2.gz BZYWGKIAQDKYOO-UHFFFAOYSA-N 1 0 320.374 1.961 20 5 DDBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1NCc1ccc2c(c1)CC[NH2+]C2 ZINC001155267964 861914139 /nfs/dbraw/zinc/91/41/39/861914139.db2.gz HSVJPYXSCBUVQD-UHFFFAOYSA-N 1 0 314.345 1.794 20 5 DDBDRO COC(=O)[C@@H](Nc1ccc2[nH]cc([N+](=O)[O-])c2n1)C(C)(C)[NH3+] ZINC001155369147 862002050 /nfs/dbraw/zinc/00/20/50/862002050.db2.gz QSVOAJAXNJTFSH-LLVKDONJSA-N 1 0 307.310 1.162 20 5 DDBDRO CC(C)OCC(=O)NCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001155383677 862017998 /nfs/dbraw/zinc/01/79/98/862017998.db2.gz LXIKTAWCJIIVIP-UHFFFAOYSA-N 1 0 315.395 1.677 20 5 DDBDRO CC(C)Oc1nc(N[C@@H]2C[NH2+][C@@H]3COC[C@H]23)ccc1[N+](=O)[O-] ZINC001155511313 862176656 /nfs/dbraw/zinc/17/66/56/862176656.db2.gz YPESMFKGQVSEFN-GMTAPVOTSA-N 1 0 308.338 1.176 20 5 DDBDRO Cc1nc(NC[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)ccc1[N+](=O)[O-] ZINC001155593405 862271256 /nfs/dbraw/zinc/27/12/56/862271256.db2.gz ZDRJGCWAIHBXMH-DOMZBBRYSA-N 1 0 306.366 1.869 20 5 DDBDRO COc1nc(N[C@@H]2CCO[C@]3(CC[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC001155618923 862298109 /nfs/dbraw/zinc/29/81/09/862298109.db2.gz NEDPDDGRXXLSIQ-QMTHXVAHSA-N 1 0 308.338 1.321 20 5 DDBDRO O=[N+]([O-])c1cc2ccccc2nc1N[C@H]1C[NH2+][C@@H]2CCO[C@@H]21 ZINC001155638089 862322853 /nfs/dbraw/zinc/32/28/53/862322853.db2.gz BAIJLQJLFCNZQN-DYEKYZERSA-N 1 0 300.318 1.684 20 5 DDBDRO C[C@@H]1[NH2+]CCN(C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)[C@H]1C ZINC001121939130 858640362 /nfs/dbraw/zinc/64/03/62/858640362.db2.gz ZYXSDKHFOCUETM-UOVKNHIHSA-N 1 0 303.362 1.907 20 5 DDBDRO C[C@@H]1[NH2+]C[C@H](C)N(C(=O)COc2ccccc2[N+](=O)[O-])[C@H]1C ZINC001122264872 858730196 /nfs/dbraw/zinc/73/01/96/858730196.db2.gz YEIVEBPUKOIWMF-SRVKXCTJSA-N 1 0 307.350 1.571 20 5 DDBDRO Cc1cc(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])[nH]n1 ZINC001124233538 859643436 /nfs/dbraw/zinc/64/34/36/859643436.db2.gz LJLCPRZIWUUNQU-UHFFFAOYSA-N 1 0 303.322 1.146 20 5 DDBDRO Cc1cc(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])n(C)n1 ZINC001124257851 859656755 /nfs/dbraw/zinc/65/67/55/859656755.db2.gz TWVGFLOGHSEKOV-UHFFFAOYSA-N 1 0 317.349 1.156 20 5 DDBDRO O=C(NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccncc1F ZINC001125164098 859907341 /nfs/dbraw/zinc/90/73/41/859907341.db2.gz CRBCFMNKGJNDJF-UHFFFAOYSA-N 1 0 318.308 1.649 20 5 DDBDRO CC(=O)N1CCC([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001326145969 861134721 /nfs/dbraw/zinc/13/47/21/861134721.db2.gz GSZUGYVVEMAGLM-HNNXBMFYSA-N 1 0 307.350 1.229 20 5 DDBDRO [NH3+]CCc1nnn(-c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)n1 ZINC001156989522 863502500 /nfs/dbraw/zinc/50/25/00/863502500.db2.gz KVEIXCOZHRCBHJ-UHFFFAOYSA-N 1 0 311.305 1.134 20 5 DDBDRO COC(=O)[C@@H](CCC[NH3+])Nc1cnc2ccc([N+](=O)[O-])cc2n1 ZINC001157114665 863591235 /nfs/dbraw/zinc/59/12/35/863591235.db2.gz KQQLYZSIOSBVPM-LLVKDONJSA-N 1 0 319.321 1.230 20 5 DDBDRO COc1ncnc(N2CC[NH2+][C@H](c3ccccc3)C2)c1[N+](=O)[O-] ZINC001157759954 864110599 /nfs/dbraw/zinc/11/05/99/864110599.db2.gz ZDEMUORVFIVSGV-LBPRGKRZSA-N 1 0 315.333 1.544 20 5 DDBDRO CN1CCN(C(=[NH2+])Nc2ccc3cccc([N+](=O)[O-])c3n2)CC1 ZINC001157915431 864257593 /nfs/dbraw/zinc/25/75/93/864257593.db2.gz WPYBLYPAINSPFJ-UHFFFAOYSA-N 1 0 314.349 1.737 20 5 DDBDRO [NH3+][C@@H]1CCc2nn(-c3cnc4cc([N+](=O)[O-])ccc4n3)cc2C1 ZINC001157980080 864327766 /nfs/dbraw/zinc/32/77/66/864327766.db2.gz NNESJCPVVUAFOG-SNVBAGLBSA-N 1 0 310.317 1.540 20 5 DDBDRO COc1ncnc(-n2cnc3ccc(C[NH3+])cc32)c1[N+](=O)[O-] ZINC001158006104 864351741 /nfs/dbraw/zinc/35/17/41/864351741.db2.gz NFVQMZURCJCYAH-UHFFFAOYSA-N 1 0 300.278 1.191 20 5 DDBDRO CC(C)N(c1c(Cl)[n+]([O-])ccc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC001158025504 864365666 /nfs/dbraw/zinc/36/56/66/864365666.db2.gz NCUBHQWHPWMDOI-VIFPVBQESA-N 1 0 300.746 1.458 20 5 DDBDRO C[N@H+](C1CN(c2cc([N+](=O)[O-])cc(Cl)n2)C1)[C@H]1CCOC1 ZINC001158726120 864859978 /nfs/dbraw/zinc/85/99/78/864859978.db2.gz PEWNZTMFPYQYSC-VIFPVBQESA-N 1 0 312.757 1.553 20 5 DDBDRO Cc1cc(NCC2C[NH+](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001159222434 865171847 /nfs/dbraw/zinc/17/18/47/865171847.db2.gz MKBCJHHBPMPURA-UHFFFAOYSA-N 1 0 313.361 1.756 20 5 DDBDRO C[NH2+]C[C@H](C)CNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC001331674852 865234548 /nfs/dbraw/zinc/23/45/48/865234548.db2.gz UGTGRQRIOHALEV-LBPRGKRZSA-N 1 0 305.378 1.988 20 5 DDBDRO C[C@@H](Nc1ncnc2cc([N+](=O)[O-])ccc21)[C@@H]1C[NH2+]CCO1 ZINC001159496017 865348382 /nfs/dbraw/zinc/34/83/82/865348382.db2.gz IADFXAKUNOQMDD-RNCFNFMXSA-N 1 0 303.322 1.327 20 5 DDBDRO CC[C@]([NH3+])(CO)Nc1nc(Cl)nc2ccc([N+](=O)[O-])cc21 ZINC001159744480 865497704 /nfs/dbraw/zinc/49/77/04/865497704.db2.gz WZQYPSWNAYCXCF-GFCCVEGCSA-N 1 0 311.729 1.661 20 5 DDBDRO Nc1cc(N2c3ccccc3OC[C@H]2C[NH3+])ncc1[N+](=O)[O-] ZINC001160199996 865724467 /nfs/dbraw/zinc/72/44/67/865724467.db2.gz MZJAEJNKJSWEMM-SECBINFHSA-N 1 0 301.306 1.430 20 5 DDBDRO CCN(C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)[C@H]1CC[NH2+]C1 ZINC001333752943 866985088 /nfs/dbraw/zinc/98/50/88/866985088.db2.gz YEXPWZURFQIWBG-ZDUSSCGKSA-N 1 0 318.377 1.993 20 5 DDBDRO [NH3+]C1CCN(CCNc2ccc3cccc([N+](=O)[O-])c3n2)CC1 ZINC001161867824 867045760 /nfs/dbraw/zinc/04/57/60/867045760.db2.gz QEZNJFUVXOFBGG-UHFFFAOYSA-N 1 0 315.377 1.978 20 5 DDBDRO C[C@H]1C[NH2+]CCC[C@@H]1CNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC001162461008 867549927 /nfs/dbraw/zinc/54/99/27/867549927.db2.gz MCPWQQASBQHHLJ-VHSXEESVSA-N 1 0 307.354 1.136 20 5 DDBDRO O=[N+]([O-])c1cc(NC[C@@]2(F)CCCC[NH2+]C2)cn2cnnc12 ZINC001162587464 867664884 /nfs/dbraw/zinc/66/48/84/867664884.db2.gz RMLGOGQFOGMGFA-CYBMUJFWSA-N 1 0 308.317 1.531 20 5 DDBDRO CC(C)(C)[NH+]1CCN(c2c(C(N)=O)cccc2[N+](=O)[O-])CC1 ZINC001325397672 867996452 /nfs/dbraw/zinc/99/64/52/867996452.db2.gz ACGNCQASQXPYEW-UHFFFAOYSA-N 1 0 306.366 1.614 20 5 DDBDRO Nc1cc(Nc2ccc([C@@H](C[NH3+])CO)cc2)ncc1[N+](=O)[O-] ZINC001163052375 868040367 /nfs/dbraw/zinc/04/03/67/868040367.db2.gz HRGGNZUALVYHFH-JTQLQIEISA-N 1 0 303.322 1.350 20 5 DDBDRO COc1cc(NC[C@H]2OC[C@H]3C[NH2+]CC[C@H]32)cc([N+](=O)[O-])c1C ZINC001163176450 868191230 /nfs/dbraw/zinc/19/12/30/868191230.db2.gz QYSCMTRPCGGEKO-AXAPSJFSSA-N 1 0 321.377 1.948 20 5 DDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC[C@H](C)[NH2+]C ZINC001325627970 868194865 /nfs/dbraw/zinc/19/48/65/868194865.db2.gz PMTVGUSKKTZMKH-JTQLQIEISA-N 1 0 322.365 1.210 20 5 DDBDRO COCCN1CCC[C@@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001335345564 868240794 /nfs/dbraw/zinc/24/07/94/868240794.db2.gz NELKGXZZKHKZQJ-GDBMZVCRSA-N 1 0 323.393 1.329 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@H]2CN3CCC2CC3)c1 ZINC001335353033 868244701 /nfs/dbraw/zinc/24/47/01/868244701.db2.gz PMMLRLNAXMDBGN-HOCLYGCPSA-N 1 0 321.377 1.018 20 5 DDBDRO O=C1C[C@@H]2[NH2+]CC[C@]2(Nc2ccnc3c2cccc3[N+](=O)[O-])N1 ZINC001163254966 868266608 /nfs/dbraw/zinc/26/66/08/868266608.db2.gz VZIHDMHNMGRQLX-WFASDCNBSA-N 1 0 313.317 1.133 20 5 DDBDRO COc1ccc([N+](=O)[O-])nc1NC[C@@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001163278659 868302724 /nfs/dbraw/zinc/30/27/24/868302724.db2.gz IJWNAYFQAJMPMG-ABAIWWIYSA-N 1 0 322.365 1.569 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(NC[C@H]2CO[C@]3(C2)CCC[NH2+]C3)n1 ZINC001163279753 868304583 /nfs/dbraw/zinc/30/45/83/868304583.db2.gz OEAOPRSPWUWTLF-WFASDCNBSA-N 1 0 306.366 1.869 20 5 DDBDRO C[NH+](C)C1CN(C(=O)CCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC001335506304 868348487 /nfs/dbraw/zinc/34/84/87/868348487.db2.gz IWKLCDCGBFQTGS-UHFFFAOYSA-N 1 0 311.769 1.953 20 5 DDBDRO CC(C)(C)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1 ZINC001322736068 868354355 /nfs/dbraw/zinc/35/43/55/868354355.db2.gz JWECMFLAJSTGBF-UHFFFAOYSA-N 1 0 324.356 1.872 20 5 DDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])NC[C@H]1CCCCC[NH2+]1 ZINC001335515930 868355525 /nfs/dbraw/zinc/35/55/25/868355525.db2.gz XQEILSIZWCPHIF-CQSZACIVSA-N 1 0 320.393 1.969 20 5 DDBDRO O=[N+]([O-])c1c2[nH]cnc2ccc1N[C@@H]1CCO[C@]2(CC[NH2+]C2)C1 ZINC001163329588 868360186 /nfs/dbraw/zinc/36/01/86/868360186.db2.gz YZJJIXSMOGWVGY-MEBBXXQBSA-N 1 0 317.349 1.794 20 5 DDBDRO O=C(C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)NC1CCCC1 ZINC001335674372 868472302 /nfs/dbraw/zinc/47/23/02/868472302.db2.gz WIYDTZJPCVFDLR-AWEZNQCLSA-N 1 0 307.350 1.277 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@@H](C)CC[C@H]2C[NH3+])n1 ZINC001164078737 868928911 /nfs/dbraw/zinc/92/89/11/868928911.db2.gz PVGKGSKITHJJAZ-UWVGGRQHSA-N 1 0 308.338 1.340 20 5 DDBDRO O=[N+]([O-])c1ccc2nccc(N3C[C@@H](CO)[C@H](CCO)C3)c2c1 ZINC001336870500 869192066 /nfs/dbraw/zinc/19/20/66/869192066.db2.gz VJABJNMPJXLLOD-NEPJUHHUSA-N 1 0 317.345 1.570 20 5 DDBDRO C[C@H]1CC[C@@H](C[NH3+])CN1c1c([N+](=O)[O-])cc[n+]([O-])c1Cl ZINC001164468933 869214875 /nfs/dbraw/zinc/21/48/75/869214875.db2.gz UMILQFRRCKCTJZ-IUCAKERBSA-N 1 0 300.746 1.445 20 5 DDBDRO C[NH+](C)C[C@H]1CCCN1c1cc([N+](=O)[O-])cc(Cl)[n+]1[O-] ZINC001165076748 869365331 /nfs/dbraw/zinc/36/53/31/869365331.db2.gz KUYCZVMEQALJRP-SECBINFHSA-N 1 0 300.746 1.412 20 5 DDBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CC(C)([NH+](C)C)C1 ZINC001165119507 869387123 /nfs/dbraw/zinc/38/71/23/869387123.db2.gz BBTIOEIZQNVVNL-UHFFFAOYSA-N 1 0 308.338 1.307 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1C[NH+]2CCC1CC2 ZINC001337356294 869451045 /nfs/dbraw/zinc/45/10/45/869451045.db2.gz JZNCWXMFHCFXON-CYBMUJFWSA-N 1 0 305.334 1.427 20 5 DDBDRO O=[N+]([O-])c1cc(Cl)cc(N2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)n1 ZINC001165287962 869497029 /nfs/dbraw/zinc/49/70/29/869497029.db2.gz DBTXUUHDHYYLDK-MWLCHTKSSA-N 1 0 312.757 1.458 20 5 DDBDRO Cc1ccnc(-n2ccc([C@H]3CCC[NH2+]3)nc2=N)c1[N+](=O)[O-] ZINC001166701707 870169983 /nfs/dbraw/zinc/16/99/83/870169983.db2.gz XJAXACOJQZITNK-SNVBAGLBSA-N 1 0 300.322 1.388 20 5 DDBDRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(CCC[N+](=O)[O-])n2C)C1 ZINC001338798283 870173637 /nfs/dbraw/zinc/17/36/37/870173637.db2.gz UIUGALGOKPZKQZ-ZDUSSCGKSA-N 1 0 324.429 1.193 20 5 DDBDRO Cn1c(C[N+](=O)[O-])nnc1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC001339553467 870552320 /nfs/dbraw/zinc/55/23/20/870552320.db2.gz OKRCWAWNDRWBSE-YPMHNXCESA-N 1 0 320.397 1.045 20 5 DDBDRO CC(C)CN(CC1CC[NH+](C)CC1)c1nnc(C[N+](=O)[O-])n1C ZINC001339665399 870615554 /nfs/dbraw/zinc/61/55/54/870615554.db2.gz JHLKXXGZACTKFM-UHFFFAOYSA-N 1 0 324.429 1.396 20 5 DDBDRO O=[N+]([O-])c1ccc(Nc2c[nH+]ccc2N2CCOCC2)cn1 ZINC001203570133 870648465 /nfs/dbraw/zinc/64/84/65/870648465.db2.gz TWADJNHZIKRTKN-UHFFFAOYSA-N 1 0 301.306 1.965 20 5 DDBDRO CCn1c(CCC[N+](=O)[O-])nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC001340012705 870837387 /nfs/dbraw/zinc/83/73/87/870837387.db2.gz TVFQQSITVPWUBU-STQMWFEESA-N 1 0 324.429 1.426 20 5 DDBDRO O=C(NCC[N@H+](CCC1CCCC1)C1CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001317553239 871060483 /nfs/dbraw/zinc/06/04/83/871060483.db2.gz SYHCHXKFWPCHRO-HUUCEWRRSA-N 1 0 309.410 1.813 20 5 DDBDRO Cc1c(CC(=O)N2CCC[C@@H]([NH2+]CCO)C2)cccc1[N+](=O)[O-] ZINC001340864930 871398497 /nfs/dbraw/zinc/39/84/97/871398497.db2.gz GFZNGYZCNDZMDE-CQSZACIVSA-N 1 0 321.377 1.019 20 5 DDBDRO CCn1c([C@H](C)[N+](=O)[O-])nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC001340877182 871404432 /nfs/dbraw/zinc/40/44/32/871404432.db2.gz CRXZWLLICMCJAS-SRVKXCTJSA-N 1 0 310.402 1.555 20 5 DDBDRO CCn1c(C[N+](=O)[O-])nnc1N1CCC([NH+](CC)CC)CC1 ZINC001340993389 871457935 /nfs/dbraw/zinc/45/79/35/871457935.db2.gz OKXKPOGHTQQEKN-UHFFFAOYSA-N 1 0 310.402 1.385 20 5 DDBDRO Cc1noc(C[C@H]2CCC[N@H+](CCn3cc([N+](=O)[O-])cn3)C2)n1 ZINC001308111906 871472743 /nfs/dbraw/zinc/47/27/43/871472743.db2.gz BFGTYOUARRSNCL-GFCCVEGCSA-N 1 0 320.353 1.437 20 5 DDBDRO COc1c(O)ccc(CN2CC[C@@]3(CNC(=O)C3)C2)c1[N+](=O)[O-] ZINC001308724980 871522251 /nfs/dbraw/zinc/52/22/51/871522251.db2.gz QGNFAWQSTJNTSN-OAHLLOKOSA-N 1 0 321.333 1.021 20 5 DDBDRO CCOCCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001318953774 872365478 /nfs/dbraw/zinc/36/54/78/872365478.db2.gz UJQOSCKOVLASAH-AAVRWANBSA-N 1 0 313.398 1.095 20 5 DDBDRO COc1c(O)ccc(CNC[C@H]2CC[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC001342898352 872427667 /nfs/dbraw/zinc/42/76/67/872427667.db2.gz QVUUNJXGKDNGHX-LLVKDONJSA-N 1 0 321.377 1.883 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H]([NH2+]CCO)C2)c1 ZINC001344368954 872989044 /nfs/dbraw/zinc/98/90/44/872989044.db2.gz OOTTZFFCUUXVTG-LBPRGKRZSA-N 1 0 307.350 1.090 20 5 DDBDRO C[NH2+]C[C@@H](O)CN(C)C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC001344387876 872992324 /nfs/dbraw/zinc/99/23/24/872992324.db2.gz QXDSNFSJMLLQBS-GFCCVEGCSA-N 1 0 323.393 1.545 20 5 DDBDRO [NH3+]C[C@@H]1CC[C@H](NC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001345153437 873275853 /nfs/dbraw/zinc/27/58/53/873275853.db2.gz KPOLGOOLMBKKNK-MFKMUULPSA-N 1 0 304.350 1.747 20 5 DDBDRO C[C@H]1CCN(CC[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC001346265843 873676515 /nfs/dbraw/zinc/67/65/15/873676515.db2.gz XPHGRYSRTIXPAN-ZFWWWQNUSA-N 1 0 323.393 1.266 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H]2COC[C@H]2C2CC2)c1 ZINC001353379127 877289174 /nfs/dbraw/zinc/28/91/74/877289174.db2.gz ZKIZCELQAUFULP-VNQPRFMTSA-N 1 0 322.361 1.349 20 5 DDBDRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@H](C)[N+](=O)[O-])n2C)C1 ZINC001355414036 878545688 /nfs/dbraw/zinc/54/56/88/878545688.db2.gz ASNDSVMJQKZSSC-RYUDHWBXSA-N 1 0 310.402 1.321 20 5 DDBDRO COC(=O)[C@H](O[C@H]1C[NH+]2CCC1CC2)c1ccccc1[N+](=O)[O-] ZINC001223645070 881040428 /nfs/dbraw/zinc/04/04/28/881040428.db2.gz ZLNSTIKYMUMGGI-LSDHHAIUSA-N 1 0 320.345 1.920 20 5 DDBDRO COC(=O)c1cc(COC2CC[NH+](C)CC2)cc([N+](=O)[O-])c1 ZINC001223688496 881058270 /nfs/dbraw/zinc/05/82/70/881058270.db2.gz NNKCJPWHKDFBOW-UHFFFAOYSA-N 1 0 308.334 1.992 20 5 DDBDRO C[N@@H+]1[C@@H]2C[C@H](Oc3nc4c[nH]cc([N+](=O)[O-])c-4n3)[C@H]1CC(=O)C2 ZINC001230230134 884382816 /nfs/dbraw/zinc/38/28/16/884382816.db2.gz LJZMMSNYPGQDHQ-KOLSJAJHSA-N 1 0 317.305 1.049 20 5 DDBDRO C[C@@]1([NH3+])CCN(C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001246528685 892678492 /nfs/dbraw/zinc/67/84/92/892678492.db2.gz BJEARNJHESLAMQ-MRXNPFEDSA-N 1 0 304.394 1.987 20 5 DDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001246617502 892740909 /nfs/dbraw/zinc/74/09/09/892740909.db2.gz GPWFRHSATAPSQD-QRTARXTBSA-N 1 0 318.421 1.552 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1(C(N)=O)CCOCC1 ZINC001254532344 896487942 /nfs/dbraw/zinc/48/79/42/896487942.db2.gz NEGRNBDHQFBPNY-GFCCVEGCSA-N 1 0 321.377 1.398 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCc1c[nH][nH]c1=O ZINC001254536837 896492727 /nfs/dbraw/zinc/49/27/27/896492727.db2.gz UJTZEQDTZJSTBG-DGCLKSJQSA-N 1 0 304.350 1.627 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1C[C@H](S(C)(=O)=O)C1 ZINC001254538078 896494414 /nfs/dbraw/zinc/49/44/14/896494414.db2.gz OLCLUILOAAKXLT-RAIGVLPGSA-N 1 0 312.391 1.691 20 5 DDBDRO Cc1nc(=N)n([C@@H](C)Cc2ccccc2[N+](=O)[O-])cc1C[NH3+] ZINC001254549825 896498919 /nfs/dbraw/zinc/49/89/19/896498919.db2.gz XHMGOIKQPUFMSK-JTQLQIEISA-N 1 0 301.350 1.842 20 5 DDBDRO CN(C(=O)CC[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)C1CC1 ZINC001254566846 896504037 /nfs/dbraw/zinc/50/40/37/896504037.db2.gz KVMMQWHATOLPEA-ZDUSSCGKSA-N 1 0 303.362 1.663 20 5 DDBDRO O=C1CCCN1CCC[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254571429 896507323 /nfs/dbraw/zinc/50/73/23/896507323.db2.gz VCHSBDGKWWVYBG-AWEZNQCLSA-N 1 0 303.362 1.664 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]CC1(N3CCCC3)COC1)C2 ZINC001254576777 896510296 /nfs/dbraw/zinc/51/02/96/896510296.db2.gz YZIALKQFVCDQIK-HNNXBMFYSA-N 1 0 317.389 1.516 20 5 DDBDRO NC(=O)c1cccc(C[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001254578192 896510550 /nfs/dbraw/zinc/51/05/50/896510550.db2.gz KFXOJWYIYFKFCC-HNNXBMFYSA-N 1 0 311.341 1.951 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]CCN1CCC[C@@H](O)C1)C2 ZINC001254580954 896513006 /nfs/dbraw/zinc/51/30/06/896513006.db2.gz IQZIFPXZIJQCCN-GOEBONIOSA-N 1 0 305.378 1.108 20 5 DDBDRO COC[C@]12COC[C@H]1C[N@@H+]([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254595550 896522648 /nfs/dbraw/zinc/52/26/48/896522648.db2.gz LWNMOLNFIFCDHQ-HYVNUMGLSA-N 1 0 318.373 1.657 20 5 DDBDRO [NH2+]=C(N[C@H]1Cc2ccc([N+](=O)[O-])cc2C1)n1nnc2ccccc21 ZINC001254597303 896524368 /nfs/dbraw/zinc/52/43/68/896524368.db2.gz HANYESSFFVVYHQ-LBPRGKRZSA-N 1 0 322.328 1.879 20 5 DDBDRO COc1cc(N2CCC([NH2+]C3(CN)CC3)CC2)ccc1[N+](=O)[O-] ZINC001256092215 897280782 /nfs/dbraw/zinc/28/07/82/897280782.db2.gz IHUZXVCQCUPGBR-UHFFFAOYSA-N 1 0 320.393 1.653 20 5 DDBDRO COc1ccc2ncc([N+](=O)[O-])c(NC[C@@H]3CC[N@H+](C)C3)c2c1 ZINC001262060198 899922620 /nfs/dbraw/zinc/92/26/20/899922620.db2.gz SOHHWAXEUJMZKK-NSHDSACASA-N 1 0 316.361 1.937 20 5 DDBDRO C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC001263188756 900526535 /nfs/dbraw/zinc/52/65/35/900526535.db2.gz ZRPJAWFAZXWLCS-VXGBXAGGSA-N 1 0 307.350 1.335 20 5 DDBDRO CC1(C)[C@H](O)C[C@@H]1[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000614582980 361928019 /nfs/dbraw/zinc/92/80/19/361928019.db2.gz HXSMQVDFXXLERY-UONOGXRCSA-N 1 0 308.334 1.615 20 5 DDBDRO COc1cc(C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)ccc1[N+](=O)[O-] ZINC000272850717 210246912 /nfs/dbraw/zinc/24/69/12/210246912.db2.gz HHWWLDMZFVOCRB-LLVKDONJSA-N 1 0 319.361 1.984 20 5 DDBDRO COc1cc(CN2C[C@@H]3CC[N@H+](C)[C@@H]3C2)c([N+](=O)[O-])cc1F ZINC000451625968 231142569 /nfs/dbraw/zinc/14/25/69/231142569.db2.gz QXOIDGAKHWVGIJ-IINYFYTJSA-N 1 0 309.341 1.878 20 5 DDBDRO COC[C@]1(CO)CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000451930868 231238944 /nfs/dbraw/zinc/23/89/44/231238944.db2.gz NZVPOUOFUYOXLK-CQSZACIVSA-N 1 0 316.304 1.704 20 5 DDBDRO CC[C@@H]1[C@H](CO)CC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000451248530 529485495 /nfs/dbraw/zinc/48/54/95/529485495.db2.gz DEGIQWNYCRFFRP-JGGQBBKZSA-N 1 0 324.377 1.427 20 5 DDBDRO CC[C@@H]1OCC[C@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000459783812 529472351 /nfs/dbraw/zinc/47/23/51/529472351.db2.gz WJLKXOHKPIVNSN-YPMHNXCESA-N 1 0 323.349 1.699 20 5 DDBDRO CC[C@H](C)[NH+]1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000296841916 529697729 /nfs/dbraw/zinc/69/77/29/529697729.db2.gz HASPOACGLAGTJJ-ZDUSSCGKSA-N 1 0 321.377 1.916 20 5 DDBDRO CC[C@H](C)[NH+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000296778243 529699613 /nfs/dbraw/zinc/69/96/13/529699613.db2.gz CTZQQCPZTXLCSA-NSHDSACASA-N 1 0 306.366 1.733 20 5 DDBDRO O=[N+]([O-])c1ccc(C[NH2+]CCC2CS(=O)(=O)C2)c(Cl)c1 ZINC000615728179 362418025 /nfs/dbraw/zinc/41/80/25/362418025.db2.gz OPOMKZFAYPIKPC-UHFFFAOYSA-N 1 0 318.782 1.773 20 5 DDBDRO COc1ccc(C[N@H+](C)[C@H]2CCN3CCO[C@H]2C3)cc1[N+](=O)[O-] ZINC000295159546 282363721 /nfs/dbraw/zinc/36/37/21/282363721.db2.gz SAVKNRQRDNWELI-BBRMVZONSA-N 1 0 321.377 1.508 20 5 DDBDRO Cc1c(CC(=O)N2CCC[C@@H]([NH+](C)C)C2)cccc1[N+](=O)[O-] ZINC000119518899 185756421 /nfs/dbraw/zinc/75/64/21/185756421.db2.gz YQUYUPITNLPMMG-CQSZACIVSA-N 1 0 305.378 1.998 20 5 DDBDRO C[C@@H](C[NH+](C)C)NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000286877128 219206311 /nfs/dbraw/zinc/20/63/11/219206311.db2.gz DXTMTRWWVOOUSX-QMMMGPOBSA-N 1 0 317.748 1.996 20 5 DDBDRO CC[C@]1([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CCOC1 ZINC000616865324 362852390 /nfs/dbraw/zinc/85/23/90/362852390.db2.gz KMDUWDJNUYAMFT-HNNXBMFYSA-N 1 0 323.349 1.701 20 5 DDBDRO COCCC[N@H+](C)CCNC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000152434509 186072486 /nfs/dbraw/zinc/07/24/86/186072486.db2.gz LVEFHICVUXKXLC-CMDGGOBGSA-N 1 0 321.377 1.693 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@H+](C[C@@H]1CCOC1)C1CC1 ZINC000159744545 186139468 /nfs/dbraw/zinc/13/94/68/186139468.db2.gz YPFTXDLGCOCICW-LBPRGKRZSA-N 1 0 307.350 1.257 20 5 DDBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)[C@@H](C)C[NH3+] ZINC000237445738 186290445 /nfs/dbraw/zinc/29/04/45/186290445.db2.gz DUKIEDZAIVQRBJ-IUCAKERBSA-N 1 0 315.757 1.821 20 5 DDBDRO CCNC(=O)C[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000054223573 352683864 /nfs/dbraw/zinc/68/38/64/352683864.db2.gz YMVARTYMFFTHGZ-UHFFFAOYSA-N 1 0 322.365 1.300 20 5 DDBDRO CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000056197224 352763882 /nfs/dbraw/zinc/76/38/82/352763882.db2.gz JPLGOUNJJVOJPT-VHSXEESVSA-N 1 0 308.338 1.480 20 5 DDBDRO C[C@@H]1C[N@H+](C)CCN1C(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000491577358 234207538 /nfs/dbraw/zinc/20/75/38/234207538.db2.gz VRKSHLLSOWRYBQ-VLWUPBBWSA-N 1 0 307.325 1.910 20 5 DDBDRO C[NH+](C)[C@@H]1CCCN(C(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000068341136 353105014 /nfs/dbraw/zinc/10/50/14/353105014.db2.gz QPFVXQLQTYYFIR-CYBMUJFWSA-N 1 0 320.393 1.949 20 5 DDBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2c([N+](=O)[O-])c(C)nn2C)C1 ZINC000173808634 198255038 /nfs/dbraw/zinc/25/50/38/198255038.db2.gz BIYYJSQIIFIPFK-LBPRGKRZSA-N 1 0 323.397 1.441 20 5 DDBDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1csc([N+](=O)[O-])c1 ZINC000076002448 353389906 /nfs/dbraw/zinc/38/99/06/353389906.db2.gz WMEJLPXMBQAWOM-LLVKDONJSA-N 1 0 313.379 1.497 20 5 DDBDRO Nc1nc(N[C@@H]2CC[N@H+](CC3CCCC3)C2)ncc1[N+](=O)[O-] ZINC000078527211 353521362 /nfs/dbraw/zinc/52/13/62/353521362.db2.gz QNGSKOKPQVXHCT-LLVKDONJSA-N 1 0 306.370 1.643 20 5 DDBDRO COC1CC[NH+](CCNC(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000079670367 353572295 /nfs/dbraw/zinc/57/22/95/353572295.db2.gz QHEXDLHIDUXTOI-UHFFFAOYSA-N 1 0 321.377 1.744 20 5 DDBDRO CN(CC[NH+](C)C)c1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000080685118 353622897 /nfs/dbraw/zinc/62/28/97/353622897.db2.gz XNAXAUNWFCZTAC-UHFFFAOYSA-N 1 0 320.393 1.829 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(NC2CC[NH+]([C@H]3CCOC3)CC2)n1 ZINC000089603050 353776385 /nfs/dbraw/zinc/77/63/85/353776385.db2.gz CNFQMYSLADVUPL-ZDUSSCGKSA-N 1 0 306.366 1.963 20 5 DDBDRO C[C@@H](Nc1ncc([N+](=O)[O-])cc1C(N)=O)C(C)(C)C[NH+](C)C ZINC000085688214 353736021 /nfs/dbraw/zinc/73/60/21/353736021.db2.gz AVVIJRZNXONGMN-SECBINFHSA-N 1 0 309.370 1.477 20 5 DDBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000087191151 353747901 /nfs/dbraw/zinc/74/79/01/353747901.db2.gz CDHUZOQHUQWXIL-ZDUSSCGKSA-N 1 0 303.362 1.880 20 5 DDBDRO C[C@@H](C[NH3+])CNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000357231331 291023536 /nfs/dbraw/zinc/02/35/36/291023536.db2.gz ZCWFWVDEJLEHGG-JTQLQIEISA-N 1 0 303.322 1.105 20 5 DDBDRO [NH3+][C@H]1CCC[C@@H](NC(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000161965391 354244302 /nfs/dbraw/zinc/24/43/02/354244302.db2.gz IYFRURMWYSHJFO-NWDGAFQWSA-N 1 0 306.366 1.783 20 5 DDBDRO CC(C)[C@@](C)(C[NH3+])NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000236806064 202018742 /nfs/dbraw/zinc/01/87/42/202018742.db2.gz ZPZWCKAGSZVNIP-OAHLLOKOSA-N 1 0 308.382 1.886 20 5 DDBDRO C[C@H](O)[C@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248470811 354368848 /nfs/dbraw/zinc/36/88/48/354368848.db2.gz VJYJQXLRXJWSBF-BFHYXJOUSA-N 1 0 324.377 1.570 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H]2CCCc3sccc32)c1 ZINC000315531648 354494788 /nfs/dbraw/zinc/49/47/88/354494788.db2.gz HDFADFVJGBEWIW-WCQYABFASA-N 1 0 322.390 1.881 20 5 DDBDRO CCOC(=O)[C@H]1CCC[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000316507195 354503719 /nfs/dbraw/zinc/50/37/19/354503719.db2.gz SKPQYHPJAFIZHN-LBPRGKRZSA-N 1 0 310.354 1.375 20 5 DDBDRO COc1ccc(C(=O)N[C@@H](C[NH3+])C(F)(F)F)cc1[N+](=O)[O-] ZINC000401739998 354666302 /nfs/dbraw/zinc/66/63/02/354666302.db2.gz FXZMNSHQNBMLJG-VIFPVBQESA-N 1 0 307.228 1.223 20 5 DDBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]CCC1(O)CCC1)OCCO2 ZINC000585744101 354835985 /nfs/dbraw/zinc/83/59/85/354835985.db2.gz BAFVQFBDMMSRNH-UHFFFAOYSA-N 1 0 308.334 1.761 20 5 DDBDRO C[NH+](C)C1(CNc2c(Cl)cncc2[N+](=O)[O-])CCOCC1 ZINC000589114300 354961166 /nfs/dbraw/zinc/96/11/66/354961166.db2.gz VXMGRXCAYMRRLL-UHFFFAOYSA-N 1 0 314.773 1.588 20 5 DDBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C1COCCOC1 ZINC000589949559 355034458 /nfs/dbraw/zinc/03/44/58/355034458.db2.gz CCCDJWATKRGIIG-LLVKDONJSA-N 1 0 323.349 1.317 20 5 DDBDRO C[C@@H]1CN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C[C@H](C)[N@H+]1C ZINC000590146262 355054051 /nfs/dbraw/zinc/05/40/51/355054051.db2.gz ACHZVDSZDWZAPH-AOOOYVTPSA-N 1 0 317.349 1.772 20 5 DDBDRO CO[C@@H](C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C1CC1 ZINC000590195569 355057656 /nfs/dbraw/zinc/05/76/56/355057656.db2.gz BQGHTDGNKFTQJW-HNNXBMFYSA-N 1 0 308.334 1.881 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000590548459 355111226 /nfs/dbraw/zinc/11/12/26/355111226.db2.gz FBVBGUNVRJWQIY-CHWSQXEVSA-N 1 0 319.361 1.184 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000591270374 355274520 /nfs/dbraw/zinc/27/45/20/355274520.db2.gz CGAJCAXJMFNZBZ-JTQLQIEISA-N 1 0 308.338 1.867 20 5 DDBDRO COc1ccc(CNC(=O)NCC[NH2+]C2CC2)cc1[N+](=O)[O-] ZINC000591346331 355293520 /nfs/dbraw/zinc/29/35/20/355293520.db2.gz HGYXJEAZZCKBIS-UHFFFAOYSA-N 1 0 308.338 1.155 20 5 DDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])NC[C@@H]1CCCC[NH2+]1 ZINC000591353313 355296566 /nfs/dbraw/zinc/29/65/66/355296566.db2.gz QULAGLNOWZYZAB-ZDUSSCGKSA-N 1 0 306.366 1.579 20 5 DDBDRO [NH3+]C/C=C\CNC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000591352800 355296606 /nfs/dbraw/zinc/29/66/06/355296606.db2.gz WEKNUINUHQLSCV-RQOWECAXSA-N 1 0 306.366 1.732 20 5 DDBDRO O=[N+]([O-])c1ccc2oc(CN3CC[C@H]4CC[NH2+][C@H]4C3)nc2c1 ZINC000591447870 355313505 /nfs/dbraw/zinc/31/35/05/355313505.db2.gz BGLROKMXGOYEKX-MFKMUULPSA-N 1 0 302.334 1.920 20 5 DDBDRO O=[N+]([O-])c1ccc2oc(CN3CC[C@@H]4CC[NH2+][C@@H]4C3)nc2c1 ZINC000591447869 355313918 /nfs/dbraw/zinc/31/39/18/355313918.db2.gz BGLROKMXGOYEKX-GXFFZTMASA-N 1 0 302.334 1.920 20 5 DDBDRO CC[C@@H]1CN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000591304002 355285990 /nfs/dbraw/zinc/28/59/90/355285990.db2.gz JIXSJYMQHDTUEL-MFKMUULPSA-N 1 0 320.349 1.119 20 5 DDBDRO CCOc1cc(C(=O)N(C)CCC[NH3+])c([N+](=O)[O-])cc1OC ZINC000591678903 355361100 /nfs/dbraw/zinc/36/11/00/355361100.db2.gz IJSWQBQLOZSIHY-UHFFFAOYSA-N 1 0 311.338 1.423 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000591685764 355361641 /nfs/dbraw/zinc/36/16/41/355361641.db2.gz KEHDJTGEFQJMHC-ZDUSSCGKSA-N 1 0 319.361 1.865 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CC2(CCO)CC2)c1 ZINC000592432831 355582532 /nfs/dbraw/zinc/58/25/32/355582532.db2.gz WSKYPKTXASDHSC-ZDUSSCGKSA-N 1 0 310.350 1.087 20 5 DDBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC(C)([NH3+])CC1 ZINC000592485715 355596257 /nfs/dbraw/zinc/59/62/57/355596257.db2.gz VRVCRQZHHMCIGI-NSHDSACASA-N 1 0 306.366 1.735 20 5 DDBDRO Cc1cc(S(=O)(=O)NC[C@@H]2CCCC[NH2+]2)ccc1[N+](=O)[O-] ZINC000592366841 355568348 /nfs/dbraw/zinc/56/83/48/355568348.db2.gz FBEYGJMCYBUDGC-NSHDSACASA-N 1 0 313.379 1.324 20 5 DDBDRO [NH3+]C[C@H]1c2ccccc2CCN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000592567234 355631291 /nfs/dbraw/zinc/63/12/91/355631291.db2.gz IREBEEUXBHQNRQ-AWEZNQCLSA-N 1 0 300.318 1.621 20 5 DDBDRO Cc1nn(C)c(C(=O)N[C@@H]2CC[NH2+]C3(CCC3)C2)c1[N+](=O)[O-] ZINC000592567987 355631883 /nfs/dbraw/zinc/63/18/83/355631883.db2.gz IEJUJNYKOQGMSZ-SNVBAGLBSA-N 1 0 307.354 1.041 20 5 DDBDRO COc1ccc(C[NH2+]CC[C@]2(O)CCCOC2)cc1[N+](=O)[O-] ZINC000593688852 355967871 /nfs/dbraw/zinc/96/78/71/355967871.db2.gz VTEGBDSXWQCNFF-OAHLLOKOSA-N 1 0 310.350 1.625 20 5 DDBDRO [NH3+]CC1(CCNC(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000593703725 355971428 /nfs/dbraw/zinc/97/14/28/355971428.db2.gz MURIGDGRJGLOEN-UHFFFAOYSA-N 1 0 306.366 1.566 20 5 DDBDRO C[NH2+]Cc1ccccc1CNC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000593914668 356057170 /nfs/dbraw/zinc/05/71/70/356057170.db2.gz MQAWFJUWDJMVFK-UHFFFAOYSA-N 1 0 314.345 1.948 20 5 DDBDRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2C(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000593919072 356060404 /nfs/dbraw/zinc/06/04/04/356060404.db2.gz NMMJDDGWJATEJY-HONMWMINSA-N 1 0 322.365 1.424 20 5 DDBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])cn1C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000594108075 356115493 /nfs/dbraw/zinc/11/54/93/356115493.db2.gz PUIAGCNXCKWMTJ-SDDRHHMPSA-N 1 0 324.381 1.161 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000601329408 358500292 /nfs/dbraw/zinc/50/02/92/358500292.db2.gz HYPANFWJUUGBBM-TXEJJXNPSA-N 1 0 304.350 1.278 20 5 DDBDRO C[NH2+][C@H]1CCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000346639733 283140438 /nfs/dbraw/zinc/14/04/38/283140438.db2.gz JYITWAYKIUSEER-JTQLQIEISA-N 1 0 301.293 1.990 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CC[NH2+]C2(CCCCC2)C1 ZINC000594629035 356269536 /nfs/dbraw/zinc/26/95/36/356269536.db2.gz XETOTQVWXBMSNV-UHFFFAOYSA-N 1 0 307.354 1.077 20 5 DDBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCC1CS(=O)(=O)C1 ZINC000594502120 356238862 /nfs/dbraw/zinc/23/88/62/356238862.db2.gz XHKSMARIYKFSEX-CYBMUJFWSA-N 1 0 310.375 1.606 20 5 DDBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@]1(OCCO)CCOC1 ZINC000594974925 356366541 /nfs/dbraw/zinc/36/65/41/356366541.db2.gz NZRTYSRVEOZURZ-LLCTXKFZSA-N 1 0 322.361 1.366 20 5 DDBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@@]1(OCCO)CCOC1 ZINC000594974924 356366610 /nfs/dbraw/zinc/36/66/10/356366610.db2.gz NZRTYSRVEOZURZ-IMMZDGJCSA-N 1 0 322.361 1.366 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H](CO)[C@H]1CCOC1 ZINC000595055149 356377462 /nfs/dbraw/zinc/37/74/62/356377462.db2.gz UCFYIRKTLJWLEM-AVGNSLFASA-N 1 0 324.377 1.899 20 5 DDBDRO Cn1cc([N+](=O)[O-])c(C(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)n1 ZINC000595225802 356411635 /nfs/dbraw/zinc/41/16/35/356411635.db2.gz OQVZNPZBNYCNRW-VXGBXAGGSA-N 1 0 321.381 1.323 20 5 DDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCC12CC(C1)C[NH2+]2 ZINC000595273999 356428923 /nfs/dbraw/zinc/42/89/23/356428923.db2.gz UFZSTXITLZGYIX-UHFFFAOYSA-N 1 0 304.350 1.488 20 5 DDBDRO Cc1c(CNC(=O)N2CC3CC2(C[NH3+])C3)cccc1[N+](=O)[O-] ZINC000595273423 356428950 /nfs/dbraw/zinc/42/89/50/356428950.db2.gz BFEPPQSKFCZTRK-UHFFFAOYSA-N 1 0 304.350 1.536 20 5 DDBDRO CC(C)(CO)[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1cccnc1 ZINC000595501015 356520476 /nfs/dbraw/zinc/52/04/76/356520476.db2.gz QPBNDFJANLLQGM-AWEZNQCLSA-N 1 0 319.365 1.536 20 5 DDBDRO COc1cc(CN2CCC[C@@H](C[NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000347114519 283183350 /nfs/dbraw/zinc/18/33/50/283183350.db2.gz TYLVPUKESLJKPL-NSHDSACASA-N 1 0 309.366 1.783 20 5 DDBDRO COc1ccc(OCCN(C)Cc2c[nH]cn2)c([N+](=O)[O-])c1 ZINC000595596833 356568712 /nfs/dbraw/zinc/56/87/12/356568712.db2.gz ONBUVYXLPPHZPQ-UHFFFAOYSA-N 1 0 306.322 1.837 20 5 DDBDRO COc1ccc(OCC[NH2+][C@H](CO)C2CCC2)c([N+](=O)[O-])c1 ZINC000595613796 356578270 /nfs/dbraw/zinc/57/82/70/356578270.db2.gz AZGDWXGBKRKSIZ-CYBMUJFWSA-N 1 0 310.350 1.733 20 5 DDBDRO CN(C(=O)C[NH2+][C@H](CO)C1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000595618016 356580324 /nfs/dbraw/zinc/58/03/24/356580324.db2.gz WCAUVVCTYZPQKX-CQSZACIVSA-N 1 0 307.350 1.308 20 5 DDBDRO CO[C@]1(CO)CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000595661224 356597168 /nfs/dbraw/zinc/59/71/68/356597168.db2.gz JYEZQONNJOPOCF-OAHLLOKOSA-N 1 0 310.350 1.447 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1C[C@H](O)C12CCC2 ZINC000595781110 356649605 /nfs/dbraw/zinc/64/96/05/356649605.db2.gz KDFDQMQMNQEODE-KGLIPLIRSA-N 1 0 319.361 1.735 20 5 DDBDRO Cc1cc(S(=O)(=O)N2CC[NH2+][C@H](C)[C@@H]2C)c([N+](=O)[O-])s1 ZINC000601342811 358507891 /nfs/dbraw/zinc/50/78/91/358507891.db2.gz GDCMRTJYLAAHLD-BDAKNGLRSA-N 1 0 319.408 1.336 20 5 DDBDRO CN1CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)CCC1=O ZINC000595780021 356649619 /nfs/dbraw/zinc/64/96/19/356649619.db2.gz BPKBXBNZYIBNQE-UHFFFAOYSA-N 1 0 307.350 1.528 20 5 DDBDRO CN(C(=O)C[NH2+][C@H]1C[C@H](O)C12CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000595782208 356650808 /nfs/dbraw/zinc/65/08/08/356650808.db2.gz OPQDLZMFNXERAT-KBPBESRZSA-N 1 0 319.361 1.451 20 5 DDBDRO CC[NH2+]Cc1ccccc1NC(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000237060792 202139240 /nfs/dbraw/zinc/13/92/40/202139240.db2.gz KRSVETIPVVMDKM-UHFFFAOYSA-N 1 0 317.349 1.848 20 5 DDBDRO COC(=O)[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)[C@H]1C ZINC000347202610 283207219 /nfs/dbraw/zinc/20/72/19/283207219.db2.gz KTMUWLZPDKJMIW-JQWIXIFHSA-N 1 0 308.334 1.987 20 5 DDBDRO C[NH2+]C[C@@H](C)NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000595982890 356735499 /nfs/dbraw/zinc/73/54/99/356735499.db2.gz JDPDUAKMXQUVTR-SSDOTTSWSA-N 1 0 316.155 1.695 20 5 DDBDRO C[NH2+]C[C@@H](C)NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000595982639 356735538 /nfs/dbraw/zinc/73/55/38/356735538.db2.gz KSHDTANRXWJNBH-SSDOTTSWSA-N 1 0 305.256 1.951 20 5 DDBDRO COc1cccc([N+](=O)[O-])c1N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000596016815 356747306 /nfs/dbraw/zinc/74/73/06/356747306.db2.gz VLEAPYBKGMHENN-LBPRGKRZSA-N 1 0 306.366 1.087 20 5 DDBDRO CC1(C)OCC[C@H]1C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000596067287 356760011 /nfs/dbraw/zinc/76/00/11/356760011.db2.gz WNCPXYWQYZZYSZ-QWHCGFSZSA-N 1 0 324.377 1.739 20 5 DDBDRO CCC[N@H+](C)C[C@H]1CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596141634 356788933 /nfs/dbraw/zinc/78/89/33/356788933.db2.gz ILHHAVQUNFXOQX-GFCCVEGCSA-N 1 0 320.393 1.862 20 5 DDBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596151943 356792615 /nfs/dbraw/zinc/79/26/15/356792615.db2.gz MYSZBNFUPDOZAV-GXFFZTMASA-N 1 0 306.366 1.470 20 5 DDBDRO CN(CC1([NH+](C)C)CCC1)c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596202413 356813030 /nfs/dbraw/zinc/81/30/30/356813030.db2.gz DDCDQBJRBDATPH-UHFFFAOYSA-N 1 0 306.366 1.614 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000596439117 356881695 /nfs/dbraw/zinc/88/16/95/356881695.db2.gz BNMKEAILIVVVHF-NSHDSACASA-N 1 0 308.382 1.784 20 5 DDBDRO COCC(C)(C)[NH+]1CCN(c2ccc(N)c([N+](=O)[O-])n2)CC1 ZINC000596282002 356843830 /nfs/dbraw/zinc/84/38/30/356843830.db2.gz YAWJTRXMRWQSBR-UHFFFAOYSA-N 1 0 309.370 1.119 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CCC([N@@H+]3CC[C@H](O)C3)CC2)n1 ZINC000596537542 356910238 /nfs/dbraw/zinc/91/02/38/356910238.db2.gz HLZGFFADSCEVTG-AWEZNQCLSA-N 1 0 320.393 1.642 20 5 DDBDRO Cc1cc([N+](=O)[O-])cnc1N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000596565271 356918840 /nfs/dbraw/zinc/91/88/40/356918840.db2.gz DAUPEWCCJMRWHZ-AWEZNQCLSA-N 1 0 308.382 1.845 20 5 DDBDRO Cc1ccc([C@@H](C)NCc2nc(C[NH3+])cc(=O)[nH]2)cc1[N+](=O)[O-] ZINC000596651202 356942630 /nfs/dbraw/zinc/94/26/30/356942630.db2.gz BGIOSRCCYXVNSA-SNVBAGLBSA-N 1 0 317.349 1.708 20 5 DDBDRO C[NH+](C)CC1CN(C(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000597708445 357295279 /nfs/dbraw/zinc/29/52/79/357295279.db2.gz LSFVOINMDMKMSW-UHFFFAOYSA-N 1 0 309.391 1.707 20 5 DDBDRO CCN(C(=O)Cc1ccc(OC)c([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C)C1 ZINC000597944538 357393977 /nfs/dbraw/zinc/39/39/77/357393977.db2.gz DVPSDXDCQYHLAB-CYBMUJFWSA-N 1 0 321.377 1.699 20 5 DDBDRO [NH3+][C@@]12CCC[C@@H]1CN(C(=O)c1n[nH]c3ccc([N+](=O)[O-])cc31)C2 ZINC000598668054 357678451 /nfs/dbraw/zinc/67/84/51/357678451.db2.gz OOELQRKTFWLWFA-RFAUZJTJSA-N 1 0 315.333 1.425 20 5 DDBDRO COc1ccc(OCC[N@@H+]2CC[C@@H](C)[C@@H](CO)C2)c([N+](=O)[O-])c1 ZINC000598647124 357669423 /nfs/dbraw/zinc/66/94/23/357669423.db2.gz BUTVSAKFMWVEFV-CHWSQXEVSA-N 1 0 324.377 1.933 20 5 DDBDRO [NH3+][C@]12CCC[C@H]1CN(CC(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC000598681822 357684755 /nfs/dbraw/zinc/68/47/55/357684755.db2.gz JRLLNZVYQASBDT-NHYWBVRUSA-N 1 0 304.350 1.347 20 5 DDBDRO CN(C(=O)CN1C[C@@H]2CCC[C@@]2([NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC000598684988 357686620 /nfs/dbraw/zinc/68/66/20/357686620.db2.gz ZQAZQRSDGAIEPW-BLLLJJGKSA-N 1 0 318.377 1.371 20 5 DDBDRO C[NH2+][C@@H]1CCN(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)C1 ZINC000598716938 357702660 /nfs/dbraw/zinc/70/26/60/357702660.db2.gz XEYKANXYRXKDGS-LLVKDONJSA-N 1 0 313.379 1.194 20 5 DDBDRO O=[N+]([O-])c1c2ccncc2ccc1N1CC[C@@H](O)[C@H](CO)C1 ZINC000599091061 357812530 /nfs/dbraw/zinc/81/25/30/357812530.db2.gz OBVPPFQSTINYSP-SMDDNHRTSA-N 1 0 303.318 1.323 20 5 DDBDRO O=[N+]([O-])c1ccc2[nH]c(N3CC[NH+](CCCF)CC3)nc2c1 ZINC000599094810 357814494 /nfs/dbraw/zinc/81/44/94/357814494.db2.gz YGIUSNJTDPQWII-UHFFFAOYSA-N 1 0 307.329 1.953 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000599101753 357815574 /nfs/dbraw/zinc/81/55/74/357815574.db2.gz AWUCEMSVMQIEDY-WDEREUQCSA-N 1 0 313.379 1.322 20 5 DDBDRO C[C@@H]1[NH2+]CC[C@H]1NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000599110724 357818376 /nfs/dbraw/zinc/81/83/76/357818376.db2.gz LSUHLLZKZOHFIO-IONNQARKSA-N 1 0 319.770 1.277 20 5 DDBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H](O)CC1(O)CCC1 ZINC000599404073 357923650 /nfs/dbraw/zinc/92/36/50/357923650.db2.gz GZZFXKDGQNKSGV-OAHLLOKOSA-N 1 0 308.378 1.735 20 5 DDBDRO O=[N+]([O-])c1cc(CN2CCC([NH+]3CCOCC3)CC2)cs1 ZINC000599474759 357949612 /nfs/dbraw/zinc/94/96/12/357949612.db2.gz VCGJOMCBCVIHOI-UHFFFAOYSA-N 1 0 311.407 1.953 20 5 DDBDRO C[C@]1(CO)C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@@]1(C)CO ZINC000599624942 357997412 /nfs/dbraw/zinc/99/74/12/357997412.db2.gz ZQEHTKRHPMPOSU-IYBDPMFKSA-N 1 0 308.378 1.450 20 5 DDBDRO COCC[NH2+]CCNC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000237320012 202229254 /nfs/dbraw/zinc/22/92/54/202229254.db2.gz PRLZJNWVDIFRMC-UHFFFAOYSA-N 1 0 323.393 1.858 20 5 DDBDRO C[NH+](C)CCn1cc(-c2cc([N+](=O)[O-])ccc2CCO)cn1 ZINC000600795053 358317003 /nfs/dbraw/zinc/31/70/03/358317003.db2.gz WMDZXFJVTSFMBM-UHFFFAOYSA-N 1 0 304.350 1.555 20 5 DDBDRO CC1([NH+]2CCOCC2)CCN(c2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000601202636 358445513 /nfs/dbraw/zinc/44/55/13/358445513.db2.gz DMLCETONKJGKBS-UHFFFAOYSA-N 1 0 324.356 1.820 20 5 DDBDRO O=[N+]([O-])c1cc(F)cnc1N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000601190329 358439948 /nfs/dbraw/zinc/43/99/48/358439948.db2.gz VXTXFDSAVABIPT-CYBMUJFWSA-N 1 0 324.356 1.820 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC1([NH+](C)C)CC1 ZINC000601448840 358558070 /nfs/dbraw/zinc/55/80/70/358558070.db2.gz PTCDZINMAPFIFV-UHFFFAOYSA-N 1 0 313.379 1.276 20 5 DDBDRO COc1cc(C(=O)N2CCC[C@@H]3C[NH2+]CC[C@H]32)ccc1[N+](=O)[O-] ZINC000601558679 358600747 /nfs/dbraw/zinc/60/07/47/358600747.db2.gz ROHIIXWQKMQQQV-CHWSQXEVSA-N 1 0 319.361 1.818 20 5 DDBDRO O=C(COc1ccccc1[N+](=O)[O-])N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000601556613 358599276 /nfs/dbraw/zinc/59/92/76/358599276.db2.gz MBBVXSKSAZHWMF-STQMWFEESA-N 1 0 319.361 1.574 20 5 DDBDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000181163087 199259135 /nfs/dbraw/zinc/25/91/35/199259135.db2.gz NHYMCDWLAQBFAY-MNOVXSKESA-N 1 0 306.366 1.780 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000601957865 358752926 /nfs/dbraw/zinc/75/29/26/358752926.db2.gz KPTPRVJEWPQDPT-MRXNPFEDSA-N 1 0 316.361 1.737 20 5 DDBDRO C[C@@](O)(C[C@@H](O)C[NH2+]CCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000601964612 358755896 /nfs/dbraw/zinc/75/58/96/358755896.db2.gz JGKZOVOTVCSMMP-GDBMZVCRSA-N 1 0 308.378 1.639 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)c1 ZINC000601976140 358761936 /nfs/dbraw/zinc/76/19/36/358761936.db2.gz NKZITVLVNPIRKS-IYBDPMFKSA-N 1 0 303.362 1.975 20 5 DDBDRO O=C(COc1ccccc1[N+](=O)[O-])N[C@H]1C[C@@H]([NH+]2CCCC2)C1 ZINC000602174237 358863259 /nfs/dbraw/zinc/86/32/59/358863259.db2.gz SPERCIMPIIPVBW-BETUJISGSA-N 1 0 319.361 1.717 20 5 DDBDRO C[NH+](C)C[C@H]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000185796267 199888648 /nfs/dbraw/zinc/88/86/48/199888648.db2.gz JOJLASKXXDXSBW-LLVKDONJSA-N 1 0 313.379 1.167 20 5 DDBDRO CN(CCOCC[NH3+])C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000602553186 359042347 /nfs/dbraw/zinc/04/23/47/359042347.db2.gz AWBQEZLIKJPIBS-UHFFFAOYSA-N 1 0 323.393 1.940 20 5 DDBDRO COC[C@@]1(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)CCCC[NH2+]1 ZINC000602443409 358979968 /nfs/dbraw/zinc/97/99/68/358979968.db2.gz UWRXEKYCHKYUKD-MLGOLLRUSA-N 1 0 321.377 1.931 20 5 DDBDRO Cn1cc(CN2CCC[N@@H+](C3CCCC3)CC2)c([N+](=O)[O-])n1 ZINC000602451732 358986265 /nfs/dbraw/zinc/98/62/65/358986265.db2.gz GPLZAPJGPUHXQR-UHFFFAOYSA-N 1 0 307.398 1.779 20 5 DDBDRO Cn1cc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c([N+](=O)[O-])n1 ZINC000602484131 359009940 /nfs/dbraw/zinc/00/99/40/359009940.db2.gz HPIFYHOSWNSOLR-SWLSCSKDSA-N 1 0 319.409 1.777 20 5 DDBDRO C[C@@H](CC[NH3+])NC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000602487309 359011023 /nfs/dbraw/zinc/01/10/23/359011023.db2.gz WTNVTCMYCGZYBB-ZETCQYMHSA-N 1 0 316.155 1.824 20 5 DDBDRO C[C@H]([NH3+])CNC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000602491505 359013501 /nfs/dbraw/zinc/01/35/01/359013501.db2.gz JKMDYQDACGDVAP-LURJTMIESA-N 1 0 302.128 1.434 20 5 DDBDRO CC[C@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)OC ZINC000602666832 359112270 /nfs/dbraw/zinc/11/22/70/359112270.db2.gz LPPZPXMHWVQBPX-CQSZACIVSA-N 1 0 308.382 1.973 20 5 DDBDRO Cn1cc(CN2CCC(C)([NH+]3CCCC3)CC2)c([N+](=O)[O-])n1 ZINC000602737301 359158347 /nfs/dbraw/zinc/15/83/47/359158347.db2.gz USGIGVYBEZHHER-UHFFFAOYSA-N 1 0 307.398 1.779 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CCN(C)C(C)(C)C[NH+]1CCCC1 ZINC000602845247 359233222 /nfs/dbraw/zinc/23/32/22/359233222.db2.gz IUKJPQKTOKDTJN-UHFFFAOYSA-N 1 0 309.414 1.906 20 5 DDBDRO Cc1cncc([N+](=O)[O-])c1NC(=O)N(C)CC[NH+]1CCCCC1 ZINC000602961573 359324874 /nfs/dbraw/zinc/32/48/74/359324874.db2.gz VLPXVCJKINVHBG-UHFFFAOYSA-N 1 0 321.381 1.670 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@H](O)[C@@H]2CCCC[C@@H]21 ZINC000602997842 359345888 /nfs/dbraw/zinc/34/58/88/359345888.db2.gz RXEPSEKECZRDHI-ILXRZTDVSA-N 1 0 321.377 1.382 20 5 DDBDRO Cn1cc(CN2CCc3ccccc3[C@@H]2C[NH3+])c([N+](=O)[O-])n1 ZINC000603428593 359634466 /nfs/dbraw/zinc/63/44/66/359634466.db2.gz KDCMRKLFVQNFBW-AWEZNQCLSA-N 1 0 301.350 1.386 20 5 DDBDRO COCC(=O)NC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000603882160 359692038 /nfs/dbraw/zinc/69/20/38/359692038.db2.gz ATYCFEWUXMGQDM-UHFFFAOYSA-N 1 0 321.377 1.364 20 5 DDBDRO C[NH+](C)[C@H](CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)C1CC1 ZINC000603989618 359709016 /nfs/dbraw/zinc/70/90/16/359709016.db2.gz NIIIBCDUXCMSIT-GFCCVEGCSA-N 1 0 321.333 1.394 20 5 DDBDRO CC(C)[NH2+][C@@H]1CCCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000609386452 360304228 /nfs/dbraw/zinc/30/42/28/360304228.db2.gz UEQQYLXTEYHXHT-CQSZACIVSA-N 1 0 320.393 1.656 20 5 DDBDRO COc1ccc(CC(=O)N2CCC[C@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000609213998 360274089 /nfs/dbraw/zinc/27/40/89/360274089.db2.gz NCDBNXDZWSWWOD-ZDUSSCGKSA-N 1 0 321.377 1.699 20 5 DDBDRO COCC[N@@H+]1CCC[C@@H](NC(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000609269455 360286196 /nfs/dbraw/zinc/28/61/96/360286196.db2.gz QZNBVVCFFCBFAW-LLVKDONJSA-N 1 0 313.379 1.497 20 5 DDBDRO COCC[N@@H+]1CCC[C@@H](NC(=O)c2cc(C)ccc2[N+](=O)[O-])C1 ZINC000610240010 360395796 /nfs/dbraw/zinc/39/57/96/360395796.db2.gz VBYPZTSXGDZLIX-CYBMUJFWSA-N 1 0 321.377 1.744 20 5 DDBDRO CC(C)[NH2+][C@H]1CCCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000611185916 360653306 /nfs/dbraw/zinc/65/33/06/360653306.db2.gz JDVYBTHRMSWGCM-ZDUSSCGKSA-N 1 0 308.382 1.219 20 5 DDBDRO C[N@@H+]1CCC[C@H](NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000611513694 360742683 /nfs/dbraw/zinc/74/26/83/360742683.db2.gz WGFKQGQMDFWOSL-JTQLQIEISA-N 1 0 307.306 1.148 20 5 DDBDRO C[C@H](O)[C@H]1CC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611561473 360760843 /nfs/dbraw/zinc/76/08/43/360760843.db2.gz JKYVDYALLWVJPW-QWRGUYRKSA-N 1 0 308.334 1.569 20 5 DDBDRO CC[C@H]1C[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000281287257 216212928 /nfs/dbraw/zinc/21/29/28/216212928.db2.gz GTLNBITZTVPLCQ-CABCVRRESA-N 1 0 324.377 1.835 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@H](C)C[NH+](C)C ZINC000292688276 223202408 /nfs/dbraw/zinc/20/24/08/223202408.db2.gz QAIVFHAVESPPKW-JTQLQIEISA-N 1 0 315.395 1.379 20 5 DDBDRO CNC(=O)CCCN(C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000194018533 201164076 /nfs/dbraw/zinc/16/40/76/201164076.db2.gz NQFKVPNXZSXEJP-UHFFFAOYSA-N 1 0 310.310 1.461 20 5 DDBDRO CC(C)[C@@H](O)CC[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000566234904 304131365 /nfs/dbraw/zinc/13/13/65/304131365.db2.gz UMJYJGCOXJDPFQ-ZFWWWQNUSA-N 1 0 312.366 1.331 20 5 DDBDRO CC(C)(C(=O)NCC1=CC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1 ZINC000275165112 212162837 /nfs/dbraw/zinc/16/28/37/212162837.db2.gz QJYCTYNJSOFJBH-UHFFFAOYSA-N 1 0 303.362 1.908 20 5 DDBDRO CC(C)[N@H+](C)C[C@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000349779508 284049717 /nfs/dbraw/zinc/04/97/17/284049717.db2.gz VFGXCJHSQSJODT-NSHDSACASA-N 1 0 315.395 1.602 20 5 DDBDRO Cc1cc(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)ccc1[N+](=O)[O-] ZINC000261821072 203126515 /nfs/dbraw/zinc/12/65/15/203126515.db2.gz OBISCILGBOJEFR-OKILXGFUSA-N 1 0 303.362 1.975 20 5 DDBDRO COc1cc(C(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000262351706 203270049 /nfs/dbraw/zinc/27/00/49/203270049.db2.gz VGGVBJGMGLGCAT-CMPLNLGQSA-N 1 0 307.350 1.721 20 5 DDBDRO Cc1c(NC(=O)NC[C@H]2C[N@@H+](C)CCN2C)cccc1[N+](=O)[O-] ZINC000264599945 204021090 /nfs/dbraw/zinc/02/10/90/204021090.db2.gz BHGXGTJOXGTKNZ-LBPRGKRZSA-N 1 0 321.381 1.271 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000264671173 204068238 /nfs/dbraw/zinc/06/82/38/204068238.db2.gz YKVUFCCVKGCPLV-LLVKDONJSA-N 1 0 306.366 1.342 20 5 DDBDRO CC[N@@H+]1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000288285861 220064315 /nfs/dbraw/zinc/06/43/15/220064315.db2.gz GOGRYCBOZDYJQB-GFCCVEGCSA-N 1 0 306.366 1.559 20 5 DDBDRO C[C@H]([NH2+]C[C@H](O)COC1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000271685690 209125359 /nfs/dbraw/zinc/12/53/59/209125359.db2.gz DIVNHBTUACFMHC-STQMWFEESA-N 1 0 324.377 1.802 20 5 DDBDRO CN1CCC([NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000351504219 284350986 /nfs/dbraw/zinc/35/09/86/284350986.db2.gz VKSHCKFVJMQEPY-KBPBESRZSA-N 1 0 307.398 1.959 20 5 DDBDRO CCCC[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CC(N)=O ZINC000282837837 217283830 /nfs/dbraw/zinc/28/38/30/217283830.db2.gz ZVRTULUZKSTZHR-UHFFFAOYSA-N 1 0 322.365 1.511 20 5 DDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC1CC[NH+](C)CC1 ZINC000330746029 291601586 /nfs/dbraw/zinc/60/15/86/291601586.db2.gz FMXILAGMLCQADY-UHFFFAOYSA-N 1 0 313.379 1.276 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@H](C)[C@H]([NH+](C)C)C1 ZINC000270677231 248656053 /nfs/dbraw/zinc/65/60/53/248656053.db2.gz SXANYILMDZSADA-SWLSCSKDSA-N 1 0 320.393 1.724 20 5 DDBDRO [NH3+]C[C@H]1CN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)CCCO1 ZINC000313387685 248841296 /nfs/dbraw/zinc/84/12/96/248841296.db2.gz SKMXEKPICOZFOF-GXMNPTEKSA-N 1 0 305.334 1.184 20 5 DDBDRO CNc1c(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000336860617 249269237 /nfs/dbraw/zinc/26/92/37/249269237.db2.gz SOWXHAZUHRGCDQ-JTQLQIEISA-N 1 0 304.350 1.603 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](C)[C@@H](C)CO ZINC000273951416 211206844 /nfs/dbraw/zinc/20/68/44/211206844.db2.gz FLYXOVSGRMDTAS-RYUDHWBXSA-N 1 0 309.366 1.838 20 5 DDBDRO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cc([N+](=O)[O-])n[nH]1 ZINC000284931016 218240490 /nfs/dbraw/zinc/24/04/90/218240490.db2.gz JBRVTSIGGDWBEG-LBPRGKRZSA-N 1 0 315.333 1.322 20 5 DDBDRO C[N@@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000110653651 194347447 /nfs/dbraw/zinc/34/74/47/194347447.db2.gz JZKZGFSZUZCGSZ-VIFPVBQESA-N 1 0 308.294 1.185 20 5 DDBDRO CC[C@@H]([NH2+]C[C@H]1CN(C)CCN1C)c1cccc([N+](=O)[O-])c1 ZINC000268961866 207126670 /nfs/dbraw/zinc/12/66/70/207126670.db2.gz XKTLGIHFIJXNHL-JKSUJKDBSA-N 1 0 306.410 1.881 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000057700542 184047749 /nfs/dbraw/zinc/04/77/49/184047749.db2.gz HCZBRRPWHKGVRK-SNVBAGLBSA-N 1 0 309.370 1.089 20 5 DDBDRO Cc1c(NC(=O)CC[N@H+]2C[C@@H](O)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000340982362 251318121 /nfs/dbraw/zinc/31/81/21/251318121.db2.gz YTDXEHQHVMOBQV-PWSUYJOCSA-N 1 0 307.350 1.687 20 5 DDBDRO CC[C@@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000341024816 251344865 /nfs/dbraw/zinc/34/48/65/251344865.db2.gz HZPCLTBPOYNTOT-BXUZGUMPSA-N 1 0 307.350 1.626 20 5 DDBDRO Cc1nn(C)c(C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)c1[N+](=O)[O-] ZINC000269104751 207243200 /nfs/dbraw/zinc/24/32/00/207243200.db2.gz BLXKJRCGHSHNLZ-NWDGAFQWSA-N 1 0 321.381 1.193 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CC2=CCCOC2)c1 ZINC000567708490 304235779 /nfs/dbraw/zinc/23/57/79/304235779.db2.gz PTAUEPAXUYVKPY-AWEZNQCLSA-N 1 0 308.334 1.271 20 5 DDBDRO CC1(C)CN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC[NH2+]1 ZINC000119637134 195008045 /nfs/dbraw/zinc/00/80/45/195008045.db2.gz FDZDRMCOTHAZSR-UHFFFAOYSA-N 1 0 316.361 1.829 20 5 DDBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]2CN2CCOCC2)cc1 ZINC000174014518 285112926 /nfs/dbraw/zinc/11/29/26/285112926.db2.gz ONTBZBJYOZXGOM-INIZCTEOSA-N 1 0 305.378 1.891 20 5 DDBDRO COc1ccc(CNC(=O)[C@@]2(C)CCCC[NH2+]2)cc1[N+](=O)[O-] ZINC000272979725 210360146 /nfs/dbraw/zinc/36/01/46/210360146.db2.gz NZTMONVKUPPBJY-OAHLLOKOSA-N 1 0 307.350 1.752 20 5 DDBDRO C[C@@]1(C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)CCC[NH2+]C1 ZINC000567907826 304255010 /nfs/dbraw/zinc/25/50/10/304255010.db2.gz AKQUPUNSDTWXND-OAHLLOKOSA-N 1 0 304.350 1.264 20 5 DDBDRO C[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@@H]1CCC[C@H]1O ZINC000286501151 219022444 /nfs/dbraw/zinc/02/24/44/219022444.db2.gz MJJOEPKTTUQPIO-UKRRQHHQSA-N 1 0 319.361 1.329 20 5 DDBDRO [NH3+]C[C@H]1CCC[C@H]1NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000157647215 197204217 /nfs/dbraw/zinc/20/42/17/197204217.db2.gz YRNOMQDDUCANHX-LDYMZIIASA-N 1 0 303.322 1.328 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@]1(C)CCO[C@H]1C ZINC000494237777 533138328 /nfs/dbraw/zinc/13/83/28/533138328.db2.gz MZHXHRJWLUZGTJ-ZUZCIYMTSA-N 1 0 323.349 1.699 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000415495564 533139668 /nfs/dbraw/zinc/13/96/68/533139668.db2.gz FSXLCSOERSWKDK-MNOVXSKESA-N 1 0 320.349 1.962 20 5 DDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000568150702 304268975 /nfs/dbraw/zinc/26/89/75/304268975.db2.gz RSBJEKOFPXZCOO-UHFFFAOYSA-N 1 0 304.350 1.521 20 5 DDBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000120549035 195188351 /nfs/dbraw/zinc/18/83/51/195188351.db2.gz NFQPZUUGNMGDEL-OCCSQVGLSA-N 1 0 305.378 1.936 20 5 DDBDRO COc1ccc(C[NH2+]C[C@@](C)(O)CSC)cc1[N+](=O)[O-] ZINC000120681762 195215276 /nfs/dbraw/zinc/21/52/76/195215276.db2.gz DJHPSUVAKKRVOC-CYBMUJFWSA-N 1 0 300.380 1.807 20 5 DDBDRO Cc1ccc(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)nc1 ZINC001120488251 781978782 /nfs/dbraw/zinc/97/87/82/781978782.db2.gz VNIYOZRNJKWABB-HNNXBMFYSA-N 1 0 317.345 1.828 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[N@H+](CCO)C[C@@H]1C ZINC000452112975 533219525 /nfs/dbraw/zinc/21/95/25/533219525.db2.gz HSMUYODBAGPXBE-LBPRGKRZSA-N 1 0 309.366 1.102 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000289714520 221173985 /nfs/dbraw/zinc/17/39/85/221173985.db2.gz KYTZOJULBXRASL-QWRGUYRKSA-N 1 0 323.324 1.181 20 5 DDBDRO Cc1c([C@H](C)[NH2+]C[C@@H](O)Cn2ccnn2)cccc1[N+](=O)[O-] ZINC000414203624 224311470 /nfs/dbraw/zinc/31/14/70/224311470.db2.gz ZPTFYAYXZHGWKA-NWDGAFQWSA-N 1 0 305.338 1.206 20 5 DDBDRO Cc1c([C@@H](C)[NH2+]C[C@H](O)Cn2ccnn2)cccc1[N+](=O)[O-] ZINC000414203621 224311673 /nfs/dbraw/zinc/31/16/73/224311673.db2.gz ZPTFYAYXZHGWKA-NEPJUHHUSA-N 1 0 305.338 1.206 20 5 DDBDRO Cc1nn(C)c(C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)c1[N+](=O)[O-] ZINC000289853353 221269382 /nfs/dbraw/zinc/26/93/82/221269382.db2.gz CJIBAFXAGUNXDW-LBPRGKRZSA-N 1 0 321.381 1.098 20 5 DDBDRO CN(CC(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccccc1[N+](=O)[O-] ZINC000289941971 221331047 /nfs/dbraw/zinc/33/10/47/221331047.db2.gz WCUKOHRGVHSZGZ-QWHCGFSZSA-N 1 0 318.377 1.099 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000414656476 533225345 /nfs/dbraw/zinc/22/53/45/533225345.db2.gz MZLSJOCFXAKEGH-ZJUUUORDSA-N 1 0 308.338 1.804 20 5 DDBDRO CCc1ccc(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)cc1[N+](=O)[O-] ZINC000290019712 221384043 /nfs/dbraw/zinc/38/40/43/221384043.db2.gz ZZUHBEUBFHZCLQ-KBPBESRZSA-N 1 0 303.362 1.839 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000414656474 533226333 /nfs/dbraw/zinc/22/63/33/533226333.db2.gz MZLSJOCFXAKEGH-VHSXEESVSA-N 1 0 308.338 1.804 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000414651152 533227778 /nfs/dbraw/zinc/22/77/78/533227778.db2.gz FGKZCGMGOSOWBX-ZJUUUORDSA-N 1 0 308.338 1.865 20 5 DDBDRO [NH3+]C[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)CC12CCOCC2 ZINC000414796997 224396265 /nfs/dbraw/zinc/39/62/65/224396265.db2.gz YMTPBLMFGVCPLT-CQSZACIVSA-N 1 0 305.378 1.782 20 5 DDBDRO CN(C)C1(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC001120495384 781982724 /nfs/dbraw/zinc/98/27/24/781982724.db2.gz MHEDNVZSSKXEMA-UHFFFAOYSA-N 1 0 306.366 1.607 20 5 DDBDRO C[NH+](C)[C@@H](CNC(=O)c1c[nH]nc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000568348041 304286640 /nfs/dbraw/zinc/28/66/40/304286640.db2.gz KGCCLERXUPLGGP-LBPRGKRZSA-N 1 0 321.312 1.490 20 5 DDBDRO C[C@H](NC(=O)NCCc1cccc([N+](=O)[O-])c1)[C@H]1CCC[NH2+]C1 ZINC000417947116 533645187 /nfs/dbraw/zinc/64/51/87/533645187.db2.gz RXGQYOQUCLSUQP-JSGCOSHPSA-N 1 0 320.393 1.825 20 5 DDBDRO COc1cc(CN2C[C@@H]3[NH2+]CCC[C@H]3C2)c([N+](=O)[O-])cc1OC ZINC000353713154 285885931 /nfs/dbraw/zinc/88/59/31/285885931.db2.gz VVBJWLPDZBFHKK-AAEUAGOBSA-N 1 0 321.377 1.796 20 5 DDBDRO Cc1ccc(S(=O)(=O)N2C[C@H](C)[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC000250920874 292179952 /nfs/dbraw/zinc/17/99/52/292179952.db2.gz NBGFUDNWZRUNMA-WDEREUQCSA-N 1 0 313.379 1.274 20 5 DDBDRO COc1ccc([C@@H](C[NH3+])Cn2cc([N+](=O)[O-])c(C)cc2=O)cc1 ZINC000569966973 304388361 /nfs/dbraw/zinc/38/83/61/304388361.db2.gz OGIWTHIPEJFDMZ-ZDUSSCGKSA-N 1 0 317.345 1.816 20 5 DDBDRO CS[C@H](C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)(C)C ZINC000570509902 304412887 /nfs/dbraw/zinc/41/28/87/304412887.db2.gz LRRXVDZPCQEVMI-NWDGAFQWSA-N 1 0 316.427 1.520 20 5 DDBDRO C[C@]1(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CCC(=O)N1 ZINC000570564443 304414972 /nfs/dbraw/zinc/41/49/72/304414972.db2.gz QJKDNYJLAVNVGR-OAHLLOKOSA-N 1 0 320.349 1.182 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000069045933 406677527 /nfs/dbraw/zinc/67/75/27/406677527.db2.gz QSNWPMXPANBSSG-CYBMUJFWSA-N 1 0 323.397 1.336 20 5 DDBDRO O=C(COc1cccc([N+](=O)[O-])c1)NCCC[NH+]1CCCC1 ZINC000075724361 406940541 /nfs/dbraw/zinc/94/05/41/406940541.db2.gz PWRZXPYAIFITKU-UHFFFAOYSA-N 1 0 307.350 1.576 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[NH+](C(C)C)CC1 ZINC000045772053 407048798 /nfs/dbraw/zinc/04/87/98/407048798.db2.gz JEBQDWFQXFJCAT-UHFFFAOYSA-N 1 0 320.393 1.868 20 5 DDBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000079338050 407054740 /nfs/dbraw/zinc/05/47/40/407054740.db2.gz MTPFJCKOTWKOPH-ZDUSSCGKSA-N 1 0 320.393 1.632 20 5 DDBDRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000053403976 407168540 /nfs/dbraw/zinc/16/85/40/407168540.db2.gz UYKFXYZSVLTIPU-LBPRGKRZSA-N 1 0 323.397 1.418 20 5 DDBDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000055758204 407207081 /nfs/dbraw/zinc/20/70/81/407207081.db2.gz BSDYXMVATFXHMZ-FRRDWIJNSA-N 1 0 323.397 1.274 20 5 DDBDRO Nc1nc(NCC[N@@H+]2CCc3ccccc3C2)ncc1[N+](=O)[O-] ZINC000097474148 407298515 /nfs/dbraw/zinc/29/85/15/407298515.db2.gz RRPAIBJHGZHXLW-UHFFFAOYSA-N 1 0 314.349 1.437 20 5 DDBDRO Cc1nn(C)c(C(=O)NCC[N@H+]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000098104764 407306027 /nfs/dbraw/zinc/30/60/27/407306027.db2.gz SYARJVSSKLPADA-JTQLQIEISA-N 1 0 309.370 1.241 20 5 DDBDRO COc1cc(C(=O)NCC2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000101522312 407310129 /nfs/dbraw/zinc/31/01/29/407310129.db2.gz JTGWEIOJKDGMFU-UHFFFAOYSA-N 1 0 307.350 1.675 20 5 DDBDRO C[N@@H+]1CCC[C@@H](CNC(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000108340213 407384712 /nfs/dbraw/zinc/38/47/12/407384712.db2.gz FHKXVIWLIHAZIB-ZDUSSCGKSA-N 1 0 320.393 1.855 20 5 DDBDRO [NH3+]C[C@@H]1CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000178539719 407487614 /nfs/dbraw/zinc/48/76/14/407487614.db2.gz LHHWLPIQMHLHAP-JTQLQIEISA-N 1 0 304.350 1.590 20 5 DDBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)N2CCNC2=O)cc1[N+](=O)[O-] ZINC000178689487 407549150 /nfs/dbraw/zinc/54/91/50/407549150.db2.gz OCOGTYXTYYDQTQ-MNOVXSKESA-N 1 0 320.349 1.494 20 5 DDBDRO C[NH2+]CC1CCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000152263949 407598799 /nfs/dbraw/zinc/59/87/99/407598799.db2.gz SNICKBSLTCWJHO-UHFFFAOYSA-N 1 0 320.393 1.489 20 5 DDBDRO Cc1nn(C)c(C(=O)NCC2(C[NH+](C)C)CCCC2)c1[N+](=O)[O-] ZINC000186197149 407600948 /nfs/dbraw/zinc/60/09/48/407600948.db2.gz QMPIKASEKRYMDB-UHFFFAOYSA-N 1 0 323.397 1.489 20 5 DDBDRO C[C@@]1(C[NH3+])CCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000261790683 407615381 /nfs/dbraw/zinc/61/53/81/407615381.db2.gz XSGXMXAEGGYSNP-ZDUSSCGKSA-N 1 0 313.379 1.095 20 5 DDBDRO C[C@@H](C(=O)NCCn1cc([N+](=O)[O-])cn1)[NH+]1[C@H](C)CC[C@H]1C ZINC000129965352 407639422 /nfs/dbraw/zinc/63/94/22/407639422.db2.gz RUTCSOCQJFSGIP-UTUOFQBUSA-N 1 0 309.370 1.169 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[C@@H](OC)C[C@@H]1C[NH3+] ZINC000262038375 407721173 /nfs/dbraw/zinc/72/11/73/407721173.db2.gz BOWAUCFDNVXDHN-ZIAGYGMSSA-N 1 0 309.366 1.542 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@@]3(C2)OCc2ccccc23)c1 ZINC000186687444 407743751 /nfs/dbraw/zinc/74/37/51/407743751.db2.gz BPXUSMKUXCGTKN-INIZCTEOSA-N 1 0 314.345 1.923 20 5 DDBDRO C[N@H+](CC1(CO)CC1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000186785031 407768318 /nfs/dbraw/zinc/76/83/18/407768318.db2.gz XPZOUEPNCITEKX-AWEZNQCLSA-N 1 0 319.361 1.404 20 5 DDBDRO COc1ccc(CN2CC[C@@H](OC)C[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000262338325 407803978 /nfs/dbraw/zinc/80/39/78/407803978.db2.gz UASZVALXFYWRKD-QWHCGFSZSA-N 1 0 309.366 1.542 20 5 DDBDRO Nc1c(C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000267245812 407806877 /nfs/dbraw/zinc/80/68/77/407806877.db2.gz JVSBXCOGAMMUFB-LBPRGKRZSA-N 1 0 318.377 1.877 20 5 DDBDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000272187723 407809965 /nfs/dbraw/zinc/80/99/65/407809965.db2.gz DWSIVUVGDMEUFY-DTWKUNHWSA-N 1 0 308.294 1.312 20 5 DDBDRO C[C@@H]1CN(C(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])[C@@H](C)C[NH2+]1 ZINC000237463450 407822167 /nfs/dbraw/zinc/82/21/67/407822167.db2.gz QBRLMXRXHKWRGY-MRUFAENASA-N 1 0 307.325 1.956 20 5 DDBDRO C[N@H+](CCNC(=O)c1ccc([N+](=O)[O-])[nH]1)Cc1ccc(F)cc1 ZINC000267310731 407830630 /nfs/dbraw/zinc/83/06/30/407830630.db2.gz ZULYRODSMPJVGF-UHFFFAOYSA-N 1 0 320.324 1.924 20 5 DDBDRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000238015987 407868196 /nfs/dbraw/zinc/86/81/96/407868196.db2.gz UQVXBAKSZRMEHM-NOZJJQNGSA-N 1 0 322.321 1.750 20 5 DDBDRO [NH3+]C[C@@H](NC(=O)COc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000238065502 407881445 /nfs/dbraw/zinc/88/14/45/407881445.db2.gz AGYVANIYANANHX-OAHLLOKOSA-N 1 0 321.377 1.997 20 5 DDBDRO Cc1nn(CCC(=O)N(C)[C@H]2CCC[N@H+](C)C2)c(C)c1[N+](=O)[O-] ZINC000153760558 407896935 /nfs/dbraw/zinc/89/69/35/407896935.db2.gz MERJHNTWXQVHTB-ZDUSSCGKSA-N 1 0 323.397 1.351 20 5 DDBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])cnc1N)[N@@H+]1CCC[C@@H](C)C1 ZINC000180530402 407898760 /nfs/dbraw/zinc/89/87/60/407898760.db2.gz TWUVZLYIPOEJHV-MNOVXSKESA-N 1 0 321.381 1.422 20 5 DDBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000268233463 407961579 /nfs/dbraw/zinc/96/15/79/407961579.db2.gz SPFXCJDDDMBGAL-RISCZKNCSA-N 1 0 318.377 1.606 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H]([C@H](C)O)C1 ZINC000272527321 407964977 /nfs/dbraw/zinc/96/49/77/407964977.db2.gz IAQOFUNTCFSODX-STQMWFEESA-N 1 0 321.377 1.935 20 5 DDBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000268276223 407981543 /nfs/dbraw/zinc/98/15/43/407981543.db2.gz WGHODFVLYIRGOD-ABAIWWIYSA-N 1 0 303.362 1.736 20 5 DDBDRO COc1cc(C(=O)N2CCC[C@@H]2C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000268183345 407934206 /nfs/dbraw/zinc/93/42/06/407934206.db2.gz RJAKIXCNOSOMDH-GFCCVEGCSA-N 1 0 307.350 1.770 20 5 DDBDRO O=C(NC[C@@H]1CC[NH2+]C1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000273053888 408035334 /nfs/dbraw/zinc/03/53/34/408035334.db2.gz RLNJDJDYKJAIMJ-GFCCVEGCSA-N 1 0 318.377 1.534 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)COc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000272570166 407988714 /nfs/dbraw/zinc/98/87/14/407988714.db2.gz FTCDKOMRRXAYDK-IUODEOHRSA-N 1 0 319.361 1.526 20 5 DDBDRO O=[N+]([O-])c1cnn(CCN2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000174876711 407999193 /nfs/dbraw/zinc/99/91/93/407999193.db2.gz OXGWNLUMFIWJFR-CQSZACIVSA-N 1 0 307.398 1.599 20 5 DDBDRO CCOc1cc(N2CC[NH+](C[C@@H](O)CC)CC2)ccc1[N+](=O)[O-] ZINC000174916008 408004898 /nfs/dbraw/zinc/00/48/98/408004898.db2.gz NEZOUEJQNGRPSI-AWEZNQCLSA-N 1 0 323.393 1.886 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)c1[N+](=O)[O-] ZINC000272672217 408009194 /nfs/dbraw/zinc/00/91/94/408009194.db2.gz TYOQGPOYXPPVKK-GHMZBOCLSA-N 1 0 321.381 1.608 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)c1 ZINC000272937208 408016925 /nfs/dbraw/zinc/01/69/25/408016925.db2.gz LOBTVBQDHRFCOK-NSHDSACASA-N 1 0 319.361 1.984 20 5 DDBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1c([N+](=O)[O-])cnn1C ZINC000245872947 408088032 /nfs/dbraw/zinc/08/80/32/408088032.db2.gz HEQZTKKFBGNFQS-QWRGUYRKSA-N 1 0 309.370 1.179 20 5 DDBDRO CNC(=O)[C@H](C)C[N@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000246253234 408194340 /nfs/dbraw/zinc/19/43/40/408194340.db2.gz TXNAAEADHMYQQJ-GHMZBOCLSA-N 1 0 322.365 1.236 20 5 DDBDRO Cc1nn(CCC(=O)N[C@H](C)CC[NH+](C)C)c(C)c1[N+](=O)[O-] ZINC000263751565 408240763 /nfs/dbraw/zinc/24/07/63/408240763.db2.gz GAASCKFOQFWHGZ-SNVBAGLBSA-N 1 0 311.386 1.255 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c1[N+](=O)[O-] ZINC000269489603 408329424 /nfs/dbraw/zinc/32/94/24/408329424.db2.gz LHTFLKMDZJJGKW-MNOVXSKESA-N 1 0 321.381 1.750 20 5 DDBDRO Cc1ccc(N2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000273643142 408277454 /nfs/dbraw/zinc/27/74/54/408277454.db2.gz YHZHHKYAFAMTBY-UHFFFAOYSA-N 1 0 315.377 1.922 20 5 DDBDRO C[NH+](C)[C@H]1CCN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])C1 ZINC000263980825 408336510 /nfs/dbraw/zinc/33/65/10/408336510.db2.gz BDZNMOBKOVBXMA-ZDUSSCGKSA-N 1 0 318.377 1.627 20 5 DDBDRO C[NH+](C)[C@H]1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000264030245 408349777 /nfs/dbraw/zinc/34/97/77/408349777.db2.gz RYTZDPNNIDMOCS-JTQLQIEISA-N 1 0 313.379 1.139 20 5 DDBDRO COCC[NH+]1CCC(NC(=O)c2cccc(C)c2[N+](=O)[O-])CC1 ZINC000138538066 162131202 /nfs/dbraw/zinc/13/12/02/162131202.db2.gz ZRECOAMJMDEESA-UHFFFAOYSA-N 1 0 321.377 1.744 20 5 DDBDRO COc1cc(C(=O)NCC2CC[NH+](C)CC2)cc([N+](=O)[O-])c1C ZINC000190929128 408343892 /nfs/dbraw/zinc/34/38/92/408343892.db2.gz AIDCARYGOMXCEA-UHFFFAOYSA-N 1 0 321.377 1.983 20 5 DDBDRO O=C([C@@H]1CCC[NH2+]C1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000169185718 162184155 /nfs/dbraw/zinc/18/41/55/162184155.db2.gz IMOWFAPTZKIDFF-NEPJUHHUSA-N 1 0 319.365 1.002 20 5 DDBDRO CC[N@@H+]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000171268644 162211320 /nfs/dbraw/zinc/21/13/20/162211320.db2.gz ZVQQJKGEKXIQBQ-LBPRGKRZSA-N 1 0 307.350 1.818 20 5 DDBDRO CC(C)[C@@H]1CN(C)CCN1C(=O)c1cccc([N+](=O)[O-])c1N ZINC000176828337 408453380 /nfs/dbraw/zinc/45/33/80/408453380.db2.gz JNMIMAGQVZHVGZ-ZDUSSCGKSA-N 1 0 306.366 1.589 20 5 DDBDRO C[NH+](C)C[C@@](C)(O)CNc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000269925610 408470831 /nfs/dbraw/zinc/47/08/31/408470831.db2.gz ZGFVEOIDMONXPY-ZDUSSCGKSA-N 1 0 319.308 1.921 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000177213547 408551500 /nfs/dbraw/zinc/55/15/00/408551500.db2.gz CNXGJJXMYGKGBZ-ZYHUDNBSSA-N 1 0 321.381 1.231 20 5 DDBDRO Cc1c(CC(=O)N2CC[NH+](C(C)C)CC2)cccc1[N+](=O)[O-] ZINC000161111865 408562411 /nfs/dbraw/zinc/56/24/11/408562411.db2.gz BGXBPJRKYDMNMU-UHFFFAOYSA-N 1 0 305.378 1.998 20 5 DDBDRO C[C@H](CO)[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)C[C@H](C)O ZINC000248955380 408667946 /nfs/dbraw/zinc/66/79/46/408667946.db2.gz QCZUFQJSBNLLME-OLZOCXBDSA-N 1 0 312.366 1.427 20 5 DDBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000177769368 408708050 /nfs/dbraw/zinc/70/80/50/408708050.db2.gz WFTIFYXRHNYCBL-OLZOCXBDSA-N 1 0 321.381 1.185 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000193398627 408716766 /nfs/dbraw/zinc/71/67/66/408716766.db2.gz WVZPRUIPQATBIB-SKDRFNHKSA-N 1 0 313.379 1.180 20 5 DDBDRO CC(C)[C@@H](CCO)[NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000162196193 408679274 /nfs/dbraw/zinc/67/92/74/408679274.db2.gz MUZBIMLARIIAQE-HUUCEWRRSA-N 1 0 321.377 1.697 20 5 DDBDRO Cc1nn(CCC(=O)N[C@H]2CCC[C@H]([NH3+])C2)c(C)c1[N+](=O)[O-] ZINC000162322128 408688850 /nfs/dbraw/zinc/68/88/50/408688850.db2.gz UORFVLFZLXKYMI-RYUDHWBXSA-N 1 0 309.370 1.184 20 5 DDBDRO CC(C)C[C@@H](CO)[N@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000185311917 408794189 /nfs/dbraw/zinc/79/41/89/408794189.db2.gz RSTQQFAUUHFCAQ-HNNXBMFYSA-N 1 0 323.393 1.896 20 5 DDBDRO Cc1cc(S(=O)(=O)NCCC[NH+](C)C)cc([N+](=O)[O-])c1F ZINC000164553922 408800611 /nfs/dbraw/zinc/80/06/11/408800611.db2.gz OLZBSIGSUBPPQG-UHFFFAOYSA-N 1 0 319.358 1.272 20 5 DDBDRO C[C@H](C[NH+]1CCCCCC1)NC(=O)c1c([N+](=O)[O-])cnn1C ZINC000185429616 408807503 /nfs/dbraw/zinc/80/75/03/408807503.db2.gz QBFCPVRHJFQZFI-LLVKDONJSA-N 1 0 309.370 1.323 20 5 DDBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000249737610 408758725 /nfs/dbraw/zinc/75/87/25/408758725.db2.gz GDHHXCFIRXVDHA-MNOVXSKESA-N 1 0 322.365 1.546 20 5 DDBDRO C[C@@H]([NH3+])CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000165895296 408813743 /nfs/dbraw/zinc/81/37/43/408813743.db2.gz MWAAHVMTXSVGQE-ZCFIWIBFSA-N 1 0 302.128 1.434 20 5 DDBDRO O=C(CC[N@H+]1CCC[C@H](O)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000185167409 408773671 /nfs/dbraw/zinc/77/36/71/408773671.db2.gz IBMMZVQTLRBKMH-NSHDSACASA-N 1 0 311.313 1.519 20 5 DDBDRO Cc1noc(C)c1C(C)(C)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000285717102 408849325 /nfs/dbraw/zinc/84/93/25/408849325.db2.gz PVVPZSYUBIDZID-LBPRGKRZSA-N 1 0 323.353 1.282 20 5 DDBDRO NC(=O)c1ccnc(NC[C@@H]2CCCC[N@@H+]2C2CC2)c1[N+](=O)[O-] ZINC000290986577 408856302 /nfs/dbraw/zinc/85/63/02/408856302.db2.gz SKENCUVPBAIZIN-NSHDSACASA-N 1 0 319.365 1.518 20 5 DDBDRO C[NH+](C)CCc1ccc(CNC(=O)c2ccc([N+](=O)[O-])[nH]2)cc1 ZINC000276482548 408867680 /nfs/dbraw/zinc/86/76/80/408867680.db2.gz ZCMRRSOYFSQHIY-UHFFFAOYSA-N 1 0 316.361 1.957 20 5 DDBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@H](O)CO)s1 ZINC000276781575 408895879 /nfs/dbraw/zinc/89/58/79/408895879.db2.gz PPTXCNNJAISYOS-JTQLQIEISA-N 1 0 308.359 1.766 20 5 DDBDRO C[N@@H+]1CC[C@]2(CCN(C(=O)NCc3ccccc3[N+](=O)[O-])C2)C1 ZINC000291757936 408918821 /nfs/dbraw/zinc/91/88/21/408918821.db2.gz UOCMNPPLXIUUFI-INIZCTEOSA-N 1 0 318.377 1.832 20 5 DDBDRO O=[N+]([O-])c1cnc2ccccc2c1N1CCC[N@@H+](CCO)CC1 ZINC000291805457 408925557 /nfs/dbraw/zinc/92/55/57/408925557.db2.gz FBLKZFMCKAHAFY-UHFFFAOYSA-N 1 0 316.361 1.647 20 5 DDBDRO CCn1nc(C)c([N+](=O)[O-])c1NC1CCN(CC[NH+](C)C)CC1 ZINC000192491496 163225345 /nfs/dbraw/zinc/22/53/45/163225345.db2.gz OVCWCUHPZQBMDU-UHFFFAOYSA-N 1 0 324.429 1.558 20 5 DDBDRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000277408761 408935731 /nfs/dbraw/zinc/93/57/31/408935731.db2.gz FFRJVSHJTNUYIC-FZMZJTMJSA-N 1 0 305.378 1.987 20 5 DDBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000193621973 163262446 /nfs/dbraw/zinc/26/24/46/163262446.db2.gz IOIKFPBAXHVGFH-RWMBFGLXSA-N 1 0 318.377 1.415 20 5 DDBDRO Cc1csc([C@@H](C)[NH2+]CCn2cc([N+](=O)[O-])ccc2=O)n1 ZINC000184281732 306713648 /nfs/dbraw/zinc/71/36/48/306713648.db2.gz SIMKEBURZGWMCS-SNVBAGLBSA-N 1 0 308.363 1.872 20 5 DDBDRO CCCC[C@H]([NH3+])C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000236778902 163362033 /nfs/dbraw/zinc/36/20/33/163362033.db2.gz RABHPYKTJISMTQ-HNNXBMFYSA-N 1 0 320.393 1.761 20 5 DDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000277508390 408954225 /nfs/dbraw/zinc/95/42/25/408954225.db2.gz KRUFBJJJAMRANU-LBPRGKRZSA-N 1 0 318.377 1.924 20 5 DDBDRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000277520484 408956542 /nfs/dbraw/zinc/95/65/42/408956542.db2.gz KYMNHXZYXPNTCM-MWLCHTKSSA-N 1 0 321.333 1.094 20 5 DDBDRO C[C@@H]1COCC[C@@H]1[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000277522702 408957141 /nfs/dbraw/zinc/95/71/41/408957141.db2.gz QYRVZTNAILIVFE-RISCZKNCSA-N 1 0 319.361 1.499 20 5 DDBDRO COC(=O)CNC(=O)CC[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292119376 408985017 /nfs/dbraw/zinc/98/50/17/408985017.db2.gz JYXACTNMDXLJLY-UHFFFAOYSA-N 1 0 323.349 1.099 20 5 DDBDRO CC[C@@H](C)[N@H+](CCO)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000287492326 409044508 /nfs/dbraw/zinc/04/45/08/409044508.db2.gz SUVKTXNUCBYASP-GFCCVEGCSA-N 1 0 321.377 1.577 20 5 DDBDRO C[C@H]([NH2+][C@@H]1CCOC[C@H]1C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000278017607 409052037 /nfs/dbraw/zinc/05/20/37/409052037.db2.gz WFLGHYFZXJEHGE-UHIISALHSA-N 1 0 307.350 1.936 20 5 DDBDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1c1ccc([N+](=O)[O-])cn1 ZINC000278814248 409094609 /nfs/dbraw/zinc/09/46/09/409094609.db2.gz SOUQIJLIJFPBQK-GFCCVEGCSA-N 1 0 306.366 1.679 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)nc1 ZINC000283364357 409144633 /nfs/dbraw/zinc/14/46/33/409144633.db2.gz CEIRGMNLNDSMBU-ZDUSSCGKSA-N 1 0 306.366 1.538 20 5 DDBDRO CO[C@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)[C@H](C[NH3+])C1 ZINC000261827856 163711295 /nfs/dbraw/zinc/71/12/95/163711295.db2.gz BCNZGRUPDZFWSU-KBPBESRZSA-N 1 0 307.350 1.102 20 5 DDBDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000279380596 409202982 /nfs/dbraw/zinc/20/29/82/409202982.db2.gz HXGSBSHJLUFKRF-NXEZZACHSA-N 1 0 324.356 1.919 20 5 DDBDRO Cc1c(C[N@@H+]2CCC[C@@H](c3nc(=O)[nH][nH]3)C2)cccc1[N+](=O)[O-] ZINC000289466457 409277532 /nfs/dbraw/zinc/27/75/32/409277532.db2.gz QPLPLBSECSBTNL-GFCCVEGCSA-N 1 0 317.349 1.694 20 5 DDBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2C[C@@H](O)[C@H](O)C2)c1 ZINC000294362422 409286708 /nfs/dbraw/zinc/28/67/08/409286708.db2.gz ZYNMACCAAZQGIU-GHMZBOCLSA-N 1 0 306.240 1.151 20 5 DDBDRO COCCCN(C)CC[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284229742 409300212 /nfs/dbraw/zinc/30/02/12/409300212.db2.gz UMSDPPXVCFYABN-GFCCVEGCSA-N 1 0 310.398 1.796 20 5 DDBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)Cc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000262360997 163813912 /nfs/dbraw/zinc/81/39/12/163813912.db2.gz WKIQAJVFMBZLIS-MGPQQGTHSA-N 1 0 303.362 1.723 20 5 DDBDRO C[C@@H]([NH2+]CC1(C(N)=O)CCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284053095 409265665 /nfs/dbraw/zinc/26/56/65/409265665.db2.gz KKQFQFAWKYNAHA-SNVBAGLBSA-N 1 0 306.366 1.873 20 5 DDBDRO COc1ccc(NC(=O)C[NH2+][C@H]2CCOC2(C)C)c([N+](=O)[O-])c1 ZINC000295244175 409393451 /nfs/dbraw/zinc/39/34/51/409393451.db2.gz PRXZRWGYBQXPAV-ZDUSSCGKSA-N 1 0 323.349 1.699 20 5 DDBDRO C[N@@H+]1CC[C@@H]2OCCN(c3ncc([N+](=O)[O-])cc3Cl)[C@@H]2C1 ZINC000284571797 409351700 /nfs/dbraw/zinc/35/17/00/409351700.db2.gz OKWSUCKTVFRBON-NEPJUHHUSA-N 1 0 312.757 1.553 20 5 DDBDRO C[N@H+](C[C@H](O)COc1ccc([N+](=O)[O-])c2ncccc12)C1CC1 ZINC000324467572 164050759 /nfs/dbraw/zinc/05/07/59/164050759.db2.gz ZFTVOBTWXUSMDM-LBPRGKRZSA-N 1 0 317.345 1.977 20 5 DDBDRO C[C@@]1(CNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CCC[NH2+]C1 ZINC000342711789 409833956 /nfs/dbraw/zinc/83/39/56/409833956.db2.gz AEQFFPACZKOHBT-OAHLLOKOSA-N 1 0 317.349 1.591 20 5 DDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000332029418 409817247 /nfs/dbraw/zinc/81/72/47/409817247.db2.gz HUPLBMUBCXJNJY-LSDHHAIUSA-N 1 0 303.362 1.880 20 5 DDBDRO COc1cc(C(=O)N[C@H](C)C[NH+](C)C)cc([N+](=O)[O-])c1OC ZINC000346253271 409877546 /nfs/dbraw/zinc/87/75/46/409877546.db2.gz GWWRYGNXTVZYAS-SECBINFHSA-N 1 0 311.338 1.292 20 5 DDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000297271535 409886426 /nfs/dbraw/zinc/88/64/26/409886426.db2.gz VRRZCWSSSXDAHP-UHFFFAOYSA-N 1 0 318.377 1.924 20 5 DDBDRO C[N@@H+]1CCCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1 ZINC000342874088 409966235 /nfs/dbraw/zinc/96/62/35/409966235.db2.gz LBCQJIIGJRFUDP-UHFFFAOYSA-N 1 0 302.334 1.854 20 5 DDBDRO C[C@@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@@H](C)CN1C ZINC000354616826 409970330 /nfs/dbraw/zinc/97/03/30/409970330.db2.gz BCLHDPSIBCVIIU-MNOVXSKESA-N 1 0 313.379 1.308 20 5 DDBDRO Cc1ccc(-c2noc([C@H]3CN(C)CCO3)n2)cc1[N+](=O)[O-] ZINC000351194510 410044531 /nfs/dbraw/zinc/04/45/31/410044531.db2.gz PNZUQECITJFCFQ-GFCCVEGCSA-N 1 0 304.306 1.956 20 5 DDBDRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000342986097 410052351 /nfs/dbraw/zinc/05/23/51/410052351.db2.gz AMDUWSZGLVGNDO-GZMMTYOYSA-N 1 0 303.322 1.607 20 5 DDBDRO CC(C)C[C@H]([NH3+])c1noc(Cn2cc([N+](=O)[O-])ccc2=O)n1 ZINC000339395630 410156501 /nfs/dbraw/zinc/15/65/01/410156501.db2.gz LMQUMBPEZSEIQV-JTQLQIEISA-N 1 0 307.310 1.234 20 5 DDBDRO COc1c(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)cccc1[N+](=O)[O-] ZINC000332671548 410202465 /nfs/dbraw/zinc/20/24/65/410202465.db2.gz ZQYJLPVWNKONAF-VXGBXAGGSA-N 1 0 319.361 1.912 20 5 DDBDRO C[N@@H+]1CC[C@H](CNC(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000347196000 410382019 /nfs/dbraw/zinc/38/20/19/410382019.db2.gz AVTHKQBOZCDTJZ-GFCCVEGCSA-N 1 0 307.350 1.432 20 5 DDBDRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000355341120 410454792 /nfs/dbraw/zinc/45/47/92/410454792.db2.gz OQQITCHXZGDIMO-OAHLLOKOSA-N 1 0 321.377 1.778 20 5 DDBDRO C[C@@H]1[C@H](NC(=O)COc2cccc([N+](=O)[O-])c2)CCC[N@@H+]1C ZINC000343441161 410455482 /nfs/dbraw/zinc/45/54/82/410455482.db2.gz BXNVMZSQHMQHPT-BXUZGUMPSA-N 1 0 307.350 1.573 20 5 DDBDRO CC(C)[NH+]1CCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000299123309 410533402 /nfs/dbraw/zinc/53/34/02/410533402.db2.gz WITNMEHMDIOIBD-UHFFFAOYSA-N 1 0 320.393 1.873 20 5 DDBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000343564099 410535313 /nfs/dbraw/zinc/53/53/13/410535313.db2.gz GYRQCJLANSYZLP-NSHDSACASA-N 1 0 308.338 1.300 20 5 DDBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000343620177 410572711 /nfs/dbraw/zinc/57/27/11/410572711.db2.gz GGXGOGBGTXFAGK-ZDUSSCGKSA-N 1 0 323.397 1.480 20 5 DDBDRO Cc1nn(C)c(NC[C@H]2C[N@H+](CC(C)C)CCO2)c1[N+](=O)[O-] ZINC000301301613 410695586 /nfs/dbraw/zinc/69/55/86/410695586.db2.gz VMOVOTXSQLLLGR-LBPRGKRZSA-N 1 0 311.386 1.405 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@@H](CO)c1cccc(F)c1 ZINC000359529891 410710643 /nfs/dbraw/zinc/71/06/43/410710643.db2.gz LLFSZBFHOVZPHU-AWEZNQCLSA-N 1 0 321.308 1.219 20 5 DDBDRO COc1cc(C[NH2+]C2CCN(C(C)=O)CC2)c([N+](=O)[O-])cc1O ZINC000330493307 410727787 /nfs/dbraw/zinc/72/77/87/410727787.db2.gz MHZQGYMTHVYOLC-UHFFFAOYSA-N 1 0 323.349 1.410 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1CCCC[C@@H]1OC(F)F ZINC000337377693 410744750 /nfs/dbraw/zinc/74/47/50/410744750.db2.gz BVACXJHVOZRRKW-WPRPVWTQSA-N 1 0 304.297 1.968 20 5 DDBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2c([N+](=O)[O-])cnn2C)[C@H](C)C1 ZINC000330553632 410771852 /nfs/dbraw/zinc/77/18/52/410771852.db2.gz CTZBMIFKUOKCGS-GHMZBOCLSA-N 1 0 309.370 1.131 20 5 DDBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2c([N+](=O)[O-])cnn2C)[C@H](C)C1 ZINC000330553633 410773047 /nfs/dbraw/zinc/77/30/47/410773047.db2.gz CTZBMIFKUOKCGS-MNOVXSKESA-N 1 0 309.370 1.131 20 5 DDBDRO C[C@@H](CNC(=O)c1nn(C)cc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC000330560762 410778812 /nfs/dbraw/zinc/77/88/12/410778812.db2.gz HVPLTSJTTGJUNV-QWRGUYRKSA-N 1 0 309.370 1.179 20 5 DDBDRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000337503827 410830183 /nfs/dbraw/zinc/83/01/83/410830183.db2.gz GDMOAAOVWXKQCH-STQMWFEESA-N 1 0 320.393 1.983 20 5 DDBDRO COc1ccc(OCC[N@@H+]2C[C@@H]3CC[C@@H](O)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000344054456 410924221 /nfs/dbraw/zinc/92/42/21/410924221.db2.gz IXZSRJJQWUKLAJ-NJZAAPMLSA-N 1 0 322.361 1.685 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C)[C@H](C[NH3+])C1CC1 ZINC000359874357 410927696 /nfs/dbraw/zinc/92/76/96/410927696.db2.gz JBVZTVNFBPIPCS-CYBMUJFWSA-N 1 0 306.366 1.511 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)[C@@H](C[NH3+])C1CC1 ZINC000359997287 410989131 /nfs/dbraw/zinc/98/91/31/410989131.db2.gz ACKNSHREPVCQND-HNNXBMFYSA-N 1 0 320.393 1.901 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N(C)C2CC[NH+](C(C)C)CC2)n1 ZINC000331192800 411009547 /nfs/dbraw/zinc/00/95/47/411009547.db2.gz KRGSASFZFFTBBK-UHFFFAOYSA-N 1 0 323.397 1.756 20 5 DDBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](CN3CCOCC3)C2)cc1 ZINC000129299805 196037711 /nfs/dbraw/zinc/03/77/11/196037711.db2.gz RCDQJVGLZQWCKR-OAHLLOKOSA-N 1 0 305.378 1.749 20 5 DDBDRO C[NH+](C)C[C@@H](O)CN[C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417317128 225292691 /nfs/dbraw/zinc/29/26/91/225292691.db2.gz VRMGPQYHQCLVCJ-HOCLYGCPSA-N 1 0 307.394 1.874 20 5 DDBDRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000417212707 225246743 /nfs/dbraw/zinc/24/67/43/225246743.db2.gz BFCZVMRUAVAYRO-ZIAGYGMSSA-N 1 0 320.393 1.954 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@H]2CCO[C@H]2c2ccccc2)c1 ZINC000191950787 418522884 /nfs/dbraw/zinc/52/28/84/418522884.db2.gz GPWIAORYRPDEED-CABCVRRESA-N 1 0 302.334 1.911 20 5 DDBDRO Cc1cc(C)c(S(=O)(=O)NCC[NH2+]C2CC2)cc1[N+](=O)[O-] ZINC000193258195 418530688 /nfs/dbraw/zinc/53/06/88/418530688.db2.gz NFIWDSRLAAHADQ-UHFFFAOYSA-N 1 0 313.379 1.242 20 5 DDBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])c(F)cc3N)C[C@H]21 ZINC000374821223 418565210 /nfs/dbraw/zinc/56/52/10/418565210.db2.gz DYRXLKABHMWOTP-LKFCYVNXSA-N 1 0 322.340 1.482 20 5 DDBDRO O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)[C@H]1C[C@@H]1[N+](=O)[O-] ZINC000374894929 418574119 /nfs/dbraw/zinc/57/41/19/418574119.db2.gz OEBYETRWWZLCHN-RQJABVFESA-N 1 0 307.325 1.053 20 5 DDBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@H](C)CN1CC[NH+](C)CC1 ZINC000360897598 418544112 /nfs/dbraw/zinc/54/41/12/418544112.db2.gz TZCXVDBORHNYHS-LLVKDONJSA-N 1 0 310.402 1.167 20 5 DDBDRO C[C@H]1CN(CC[N@@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)CCO1 ZINC000367049122 418554969 /nfs/dbraw/zinc/55/49/69/418554969.db2.gz CDRHCSVDMYKJBM-KBPBESRZSA-N 1 0 323.397 1.149 20 5 DDBDRO CCc1n[nH]c(C(=O)N(CC[NH+](C)C)CC(C)C)c1[N+](=O)[O-] ZINC000192526664 222129533 /nfs/dbraw/zinc/12/95/33/222129533.db2.gz DIZJABQHIRKUQF-UHFFFAOYSA-N 1 0 311.386 1.540 20 5 DDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)N[C@H](CO)C[NH+]1CCCCC1 ZINC000296486200 418587646 /nfs/dbraw/zinc/58/76/46/418587646.db2.gz XTLUGZHXGBKUJV-ZDUSSCGKSA-N 1 0 322.365 1.563 20 5 DDBDRO Cc1nc([N+](=O)[O-])c(-c2noc([C@@H]3C[N@@H+](C)C[C@@H]3C)n2)n1C ZINC000361248775 418612424 /nfs/dbraw/zinc/61/24/24/418612424.db2.gz CXVDLPKPCNYPOU-IONNQARKSA-N 1 0 306.326 1.352 20 5 DDBDRO CC(C)(C)[C@@H]1CCC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000361541723 418674180 /nfs/dbraw/zinc/67/41/80/418674180.db2.gz SBZNMBKUDJMXJB-OCCSQVGLSA-N 1 0 310.398 1.910 20 5 DDBDRO COc1ccc(C[N@H+](CCO)[C@H]2CCO[C@H]2C)cc1[N+](=O)[O-] ZINC000361563855 418678383 /nfs/dbraw/zinc/67/83/83/418678383.db2.gz LMIMPQYUSNQCTM-AAEUAGOBSA-N 1 0 310.350 1.575 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000382470659 418730442 /nfs/dbraw/zinc/73/04/42/418730442.db2.gz PMMPPEFJOVEIPV-MNOVXSKESA-N 1 0 313.379 1.309 20 5 DDBDRO Cc1cccc(CC[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000385806401 418737033 /nfs/dbraw/zinc/73/70/33/418737033.db2.gz QYWAUZVYCCXSPF-HNNXBMFYSA-N 1 0 304.350 1.293 20 5 DDBDRO O=C(C[N@@H+]1CC[C@H]([C@H]2CCOC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000371232285 418770746 /nfs/dbraw/zinc/77/07/46/418770746.db2.gz ROBIQQXDXUMAES-STQMWFEESA-N 1 0 319.361 1.892 20 5 DDBDRO Cc1ccc(NC(=O)c2cn(CCCC[NH3+])nn2)cc1[N+](=O)[O-] ZINC000422907218 227252657 /nfs/dbraw/zinc/25/26/57/227252657.db2.gz LCERTMOWWNWPAF-UHFFFAOYSA-N 1 0 318.337 1.486 20 5 DDBDRO O=C(COc1cccc([N+](=O)[O-])c1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000365364241 418853631 /nfs/dbraw/zinc/85/36/31/418853631.db2.gz XPDXTUUKYSASDB-FZMZJTMJSA-N 1 0 305.334 1.184 20 5 DDBDRO COC(=O)c1cc(NC(=O)[C@H]2CCCCC[NH2+]2)cc([N+](=O)[O-])c1 ZINC000372492016 418877364 /nfs/dbraw/zinc/87/73/64/418877364.db2.gz QDTGCVMGOJKCTC-CYBMUJFWSA-N 1 0 321.333 1.852 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@]3(CCC[C@@H]3[NH3+])C2)c1 ZINC000372779222 418901793 /nfs/dbraw/zinc/90/17/93/418901793.db2.gz DSFVNFSJBXJPRP-GOEBONIOSA-N 1 0 319.361 1.947 20 5 DDBDRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000417937808 419401208 /nfs/dbraw/zinc/40/12/08/419401208.db2.gz IZHATBSEHHLPEP-ZIAGYGMSSA-N 1 0 320.393 1.954 20 5 DDBDRO CN(C[C@@H](O)COc1ccccc1[N+](=O)[O-])C[C@@H]1CCC[N@@H+]1C ZINC000421011087 419449175 /nfs/dbraw/zinc/44/91/75/419449175.db2.gz RSQCCCUXZSVORW-UONOGXRCSA-N 1 0 323.393 1.361 20 5 DDBDRO Cc1c(CNC(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000418079209 419518063 /nfs/dbraw/zinc/51/80/63/419518063.db2.gz KMTJLXPTKNTYJZ-CMPLNLGQSA-N 1 0 306.366 1.782 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]C1(CO)C2CC3CC(C2)CC1C3 ZINC000412001541 419555917 /nfs/dbraw/zinc/55/59/17/419555917.db2.gz HBYGVRWOMXEHHY-UHFFFAOYSA-N 1 0 320.393 1.605 20 5 DDBDRO Cc1c(CNC(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)cccc1[N+](=O)[O-] ZINC000418078416 419512488 /nfs/dbraw/zinc/51/24/88/419512488.db2.gz JHEWAKQMUWFDQN-DGCLKSJQSA-N 1 0 306.366 1.782 20 5 DDBDRO COc1ccc(C[N@@H+]2CC[C@H](C(=O)N(C)C)C2)cc1[N+](=O)[O-] ZINC000411947661 419513638 /nfs/dbraw/zinc/51/36/38/419513638.db2.gz UFBRCDAFXYVBLN-LBPRGKRZSA-N 1 0 307.350 1.514 20 5 DDBDRO C[C@H](NC(=O)NC[C@H]1C[NH2+]CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000418236122 419637236 /nfs/dbraw/zinc/63/72/36/419637236.db2.gz UHDHONUDTYVOSQ-SMDDNHRTSA-N 1 0 322.365 1.334 20 5 DDBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000426996319 419577230 /nfs/dbraw/zinc/57/72/30/419577230.db2.gz ZHQCRMQLSDOWCQ-HNNXBMFYSA-N 1 0 303.362 1.880 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CCC[N@H+](C)[C@@H]1C ZINC000427058711 419589388 /nfs/dbraw/zinc/58/93/88/419589388.db2.gz FIPLTUINBOLBGI-ZWNOBZJWSA-N 1 0 307.350 1.816 20 5 DDBDRO O=C(NCCC[NH2+]C1CC1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000418280258 419671696 /nfs/dbraw/zinc/67/16/96/419671696.db2.gz AJNWSHZKQQSSHI-UHFFFAOYSA-N 1 0 318.377 1.805 20 5 DDBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000421707886 419693724 /nfs/dbraw/zinc/69/37/24/419693724.db2.gz YOQZIVPRJXSWGK-GFCCVEGCSA-N 1 0 307.350 1.526 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000421710480 419698253 /nfs/dbraw/zinc/69/82/53/419698253.db2.gz KVPSHHAESKRTLK-LBPRGKRZSA-N 1 0 307.350 1.770 20 5 DDBDRO CC(C)[C@@H]([NH3+])CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000418393131 419769513 /nfs/dbraw/zinc/76/95/13/419769513.db2.gz XJCFINUSPLPGMR-AWEZNQCLSA-N 1 0 306.366 1.646 20 5 DDBDRO CC(C)([NH3+])CNC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000418416361 419785630 /nfs/dbraw/zinc/78/56/30/419785630.db2.gz QQFIITNZNPSNDF-UHFFFAOYSA-N 1 0 308.338 1.105 20 5 DDBDRO [NH3+]CCN(CCO)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000414914425 419874573 /nfs/dbraw/zinc/87/45/73/419874573.db2.gz OKFZASCNELDWSB-UHFFFAOYSA-N 1 0 305.334 1.608 20 5 DDBDRO [NH3+]C[C@H]1CCCN(C(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000428518616 419883590 /nfs/dbraw/zinc/88/35/90/419883590.db2.gz CFWABYODDGFHDP-GFCCVEGCSA-N 1 0 307.350 1.561 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H](C)CC[NH+](C)C ZINC000299398718 229097056 /nfs/dbraw/zinc/09/70/56/229097056.db2.gz XNGLVFMHZJJNAN-NSHDSACASA-N 1 0 324.381 1.743 20 5 DDBDRO COCC1(C)C[NH+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000432733349 229124501 /nfs/dbraw/zinc/12/45/01/229124501.db2.gz CWGWVHDEQNYDHT-CYBMUJFWSA-N 1 0 310.350 1.303 20 5 DDBDRO C[C@@H]1COCC[C@H]1[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000433165320 229165882 /nfs/dbraw/zinc/16/58/82/229165882.db2.gz BREPVVQYNSNVDI-BXUZGUMPSA-N 1 0 307.350 1.938 20 5 DDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)c1ncn([C@H]2CCC[NH2+]C2)n1 ZINC000433386200 229201308 /nfs/dbraw/zinc/20/13/08/229201308.db2.gz HANWUQYGSUEOHB-LBPRGKRZSA-N 1 0 316.321 1.363 20 5 DDBDRO Cc1nn(C)c(C(=O)N2CCC([NH2+]CC3CC3)CC2)c1[N+](=O)[O-] ZINC000429596875 420029274 /nfs/dbraw/zinc/02/92/74/420029274.db2.gz LFZAEACFZMJZGA-UHFFFAOYSA-N 1 0 321.381 1.241 20 5 DDBDRO [NH3+][C@H](C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)C1CCC1 ZINC000423418530 420046037 /nfs/dbraw/zinc/04/60/37/420046037.db2.gz UUPIIVIABIBYMX-FZMZJTMJSA-N 1 0 319.365 1.130 20 5 DDBDRO CNc1c(C(=O)NC[C@](C)(O)CC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000420022032 420095088 /nfs/dbraw/zinc/09/50/88/420095088.db2.gz VIIMAVIPMHBEIO-OAHLLOKOSA-N 1 0 324.381 1.069 20 5 DDBDRO Cc1c(CC(=O)N[C@H]2[C@@H](C)[NH2+]CC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000423635579 420108469 /nfs/dbraw/zinc/10/84/69/420108469.db2.gz PEBPGRUGYBQHOJ-KANYHAFZSA-N 1 0 305.378 1.948 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000423673949 420122667 /nfs/dbraw/zinc/12/26/67/420122667.db2.gz ANTHDHIEOIUZMN-NWDGAFQWSA-N 1 0 319.361 1.818 20 5 DDBDRO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000415634506 420130541 /nfs/dbraw/zinc/13/05/41/420130541.db2.gz SLIZUOFTZOTMRK-NXEZZACHSA-N 1 0 308.313 1.807 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@](C)(CN)C1CC1 ZINC000430549974 420133576 /nfs/dbraw/zinc/13/35/76/420133576.db2.gz FICNBZVOWATSDY-MRXNPFEDSA-N 1 0 320.393 1.949 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H](C[NH3+])C1 ZINC000415657812 420137155 /nfs/dbraw/zinc/13/71/55/420137155.db2.gz MUUMWNOMSUAQLM-SNVBAGLBSA-N 1 0 308.338 1.806 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]([NH3+])C1CC1 ZINC000415664464 420140912 /nfs/dbraw/zinc/14/09/12/420140912.db2.gz UCOIYZHCQNJSRX-NSHDSACASA-N 1 0 308.338 1.852 20 5 DDBDRO COC(=O)c1cc(C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)cc([N+](=O)[O-])c1 ZINC000423574156 420085038 /nfs/dbraw/zinc/08/50/38/420085038.db2.gz WYHIKIHGLNVRCP-NOZJJQNGSA-N 1 0 321.333 1.109 20 5 DDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)CC(C)(C)C[NH3+] ZINC000430582495 420146341 /nfs/dbraw/zinc/14/63/41/420146341.db2.gz KTAIGPYPQCEQKF-LLVKDONJSA-N 1 0 308.382 1.839 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[C@@H](C[NH3+])C1 ZINC000430628616 420165229 /nfs/dbraw/zinc/16/52/29/420165229.db2.gz OTTWODDQKBEENS-LBPRGKRZSA-N 1 0 306.366 1.512 20 5 DDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000415764169 420169632 /nfs/dbraw/zinc/16/96/32/420169632.db2.gz PJUAQBNCPUDDLN-ZDUSSCGKSA-N 1 0 322.365 1.657 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC[C@H]2CC[NH2+]C2)c1 ZINC000420441273 420288950 /nfs/dbraw/zinc/28/89/50/420288950.db2.gz VNDNTIHGJLBVNA-NSHDSACASA-N 1 0 313.379 1.099 20 5 DDBDRO C[C@H]1[C@@H]([NH3+])CCN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000420352246 420230091 /nfs/dbraw/zinc/23/00/91/420230091.db2.gz LWUSKGRULXCCQK-CABZTGNLSA-N 1 0 303.322 1.566 20 5 DDBDRO CN(C(=O)CCn1cc([N+](=O)[O-])cn1)C(C)(C)C[NH+]1CCCC1 ZINC000416106876 420247306 /nfs/dbraw/zinc/24/73/06/420247306.db2.gz NRIDZQYJTSVFBA-UHFFFAOYSA-N 1 0 323.397 1.514 20 5 DDBDRO Nc1nc(NC[C@@H]2CCC[N@@H+]2C2CCCCC2)ncc1[N+](=O)[O-] ZINC000435596850 420266043 /nfs/dbraw/zinc/26/60/43/420266043.db2.gz ZZBUZFMFGFBXKH-LBPRGKRZSA-N 1 0 320.397 1.598 20 5 DDBDRO C[C@@H]1CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H](C)C[NH2+]1 ZINC000420408960 420268572 /nfs/dbraw/zinc/26/85/72/420268572.db2.gz WNOVHPMYGWNTGP-NEPJUHHUSA-N 1 0 306.366 1.606 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@H](C)[NH2+]C[C@@H]1C ZINC000420413116 420270191 /nfs/dbraw/zinc/27/01/91/420270191.db2.gz ZRWRMNXJFBLBKN-RYUDHWBXSA-N 1 0 306.366 1.524 20 5 DDBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](CC[C@@H]3CCOC3)C2)nc1 ZINC000438096537 420439825 /nfs/dbraw/zinc/43/98/25/420439825.db2.gz OWDGXCZLZIKYRK-CHWSQXEVSA-N 1 0 306.366 1.903 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H]([NH3+])C(C)C)c1C ZINC000440407105 420574808 /nfs/dbraw/zinc/57/48/08/420574808.db2.gz NEETYNYKTOBUJL-LLVKDONJSA-N 1 0 315.395 1.473 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC[C@H]2CC[NH2+]C2)c1C ZINC000440841228 420612275 /nfs/dbraw/zinc/61/22/75/420612275.db2.gz CGOLWILLYHMYFW-NSHDSACASA-N 1 0 313.379 1.099 20 5 DDBDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000457108889 420616220 /nfs/dbraw/zinc/61/62/20/420616220.db2.gz GIXVHPZXYQOKEV-LLVKDONJSA-N 1 0 306.366 1.732 20 5 DDBDRO O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])NCC1=CC[NH2+]CC1 ZINC000493258939 420801172 /nfs/dbraw/zinc/80/11/72/420801172.db2.gz NEKYVOOGQYBUSV-DUXPYHPUSA-N 1 0 305.309 1.783 20 5 DDBDRO O=C(/C=C\c1ccc(F)cc1[N+](=O)[O-])N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000493386940 420835772 /nfs/dbraw/zinc/83/57/72/420835772.db2.gz OQWWCHCLQNIMIM-MUEWNTGYSA-N 1 0 319.336 1.815 20 5 DDBDRO C[C@]1(CO)CCC[C@@H]1[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000493652097 420906763 /nfs/dbraw/zinc/90/67/63/420906763.db2.gz FBDDAMUYLBAPMB-VBNZEHGJSA-N 1 0 324.377 1.475 20 5 DDBDRO CNc1nc(C(=O)NCCC[N@H+](C)C(C)C)ccc1[N+](=O)[O-] ZINC000454676552 420907326 /nfs/dbraw/zinc/90/73/26/420907326.db2.gz SKOAYODYOAJTKL-UHFFFAOYSA-N 1 0 309.370 1.492 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CN(C)CCN1C ZINC000449138851 420958673 /nfs/dbraw/zinc/95/86/73/420958673.db2.gz JEMXUEFKZVUKRL-UKRRQHHQSA-N 1 0 306.410 1.361 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](O)C1CCOCC1 ZINC000449156622 420963487 /nfs/dbraw/zinc/96/34/87/420963487.db2.gz STYWTJYLZVIZCT-MLGOLLRUSA-N 1 0 308.378 1.903 20 5 DDBDRO CC[NH+](CC)C[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c(NC)n1 ZINC000455657702 421049666 /nfs/dbraw/zinc/04/96/66/421049666.db2.gz CNKCEUSKFJULOA-SNVBAGLBSA-N 1 0 309.370 1.492 20 5 DDBDRO COc1ccc(C[NH2+]C[C@@H]2CCOC[C@H]2OC)cc1[N+](=O)[O-] ZINC000449457394 421014350 /nfs/dbraw/zinc/01/43/50/421014350.db2.gz NOMALOMINLZZGT-SWLSCSKDSA-N 1 0 310.350 1.745 20 5 DDBDRO [NH3+]CC[C@@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)C(F)F ZINC000449612401 421038634 /nfs/dbraw/zinc/03/86/34/421038634.db2.gz LZIHWIYWFIGTMD-SNVBAGLBSA-N 1 0 303.265 1.072 20 5 DDBDRO C[C@@H]1C[C@H]1C[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000488414975 421088886 /nfs/dbraw/zinc/08/88/86/421088886.db2.gz GCWMTSBBMIQQMS-MNOVXSKESA-N 1 0 313.379 1.119 20 5 DDBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000449739011 421071255 /nfs/dbraw/zinc/07/12/55/421071255.db2.gz HXACJTURAFLDJG-GYSYKLTISA-N 1 0 321.402 1.896 20 5 DDBDRO CNc1nc(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000455906629 421075031 /nfs/dbraw/zinc/07/50/31/421075031.db2.gz GLAYHKVWDQNKHC-CMPLNLGQSA-N 1 0 321.381 1.490 20 5 DDBDRO CC1(C)[NH2+]CC[C@H]1NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000449752224 421076291 /nfs/dbraw/zinc/07/62/91/421076291.db2.gz MKEKKRGICJZPLO-CYBMUJFWSA-N 1 0 307.350 1.620 20 5 DDBDRO CC[C@H](C)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])c(NC)n2)CC1 ZINC000456546042 421181706 /nfs/dbraw/zinc/18/17/06/421181706.db2.gz HWLYAVUAKALFRW-NSHDSACASA-N 1 0 321.381 1.588 20 5 DDBDRO Cc1nc(NCc2ccc(C[NH+](C)C)c(F)c2)ncc1[N+](=O)[O-] ZINC000450405102 421194018 /nfs/dbraw/zinc/19/40/18/421194018.db2.gz DDHSMYMJTDHJJG-UHFFFAOYSA-N 1 0 319.340 2.506 20 5 DDBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H]1CCC[N@@H+]1CCCO ZINC000450588461 421213160 /nfs/dbraw/zinc/21/31/60/421213160.db2.gz BIMRBXQMUFZSPM-LBPRGKRZSA-N 1 0 311.386 1.378 20 5 DDBDRO O=[N+]([O-])c1cc(Cl)cnc1NC[C@H]1CCC[N@H+]1CCCO ZINC000450594319 421214322 /nfs/dbraw/zinc/21/43/22/421214322.db2.gz KIICISMXHIRXGT-LLVKDONJSA-N 1 0 314.773 1.902 20 5 DDBDRO C[C@@]1(CO)CCC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000545397464 421257448 /nfs/dbraw/zinc/25/74/48/421257448.db2.gz MQHVCEFARJKFOX-HNNXBMFYSA-N 1 0 318.333 1.992 20 5 DDBDRO Cc1ccc(OCC[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000562450123 421369152 /nfs/dbraw/zinc/36/91/52/421369152.db2.gz MHLXRZGCJGYMGF-AWEZNQCLSA-N 1 0 320.349 1.129 20 5 DDBDRO O=C1OCCN1C[C@H]1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000497293698 421402622 /nfs/dbraw/zinc/40/26/22/421402622.db2.gz AMIBHPJJIUYUTH-LBPRGKRZSA-N 1 0 305.334 1.869 20 5 DDBDRO C[C@H]1C[N@H+](CCO)CCN1c1ccc2ncccc2c1[N+](=O)[O-] ZINC000562705931 421402692 /nfs/dbraw/zinc/40/26/92/421402692.db2.gz CVANVLJFIBJGNR-LBPRGKRZSA-N 1 0 316.361 1.646 20 5 DDBDRO CC1(C)CC[N@H+](CC(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000553544423 421619500 /nfs/dbraw/zinc/61/95/00/421619500.db2.gz KLZOGUXXDBCXPP-UHFFFAOYSA-N 1 0 305.378 1.985 20 5 DDBDRO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cn2C)CC[N@@H+](C2CCC2)C1 ZINC000553864866 421626393 /nfs/dbraw/zinc/62/63/93/421626393.db2.gz BBYFHVYMWSUJKU-GFCCVEGCSA-N 1 0 320.393 1.880 20 5 DDBDRO C[C@H](C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)C1C[NH2+]C1 ZINC000566169425 421603509 /nfs/dbraw/zinc/60/35/09/421603509.db2.gz HWILVAWMZUUSBC-VIFPVBQESA-N 1 0 315.333 1.779 20 5 DDBDRO C[NH2+]C[C@H](C)C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000566169897 421603869 /nfs/dbraw/zinc/60/38/69/421603869.db2.gz USODGCMYEZXNLY-VIFPVBQESA-N 1 0 303.322 1.779 20 5 DDBDRO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cn2)CC[N@@H+](C2CC2)C1 ZINC000580934112 421863798 /nfs/dbraw/zinc/86/37/98/421863798.db2.gz UOFSFYWWLYVEHX-LLVKDONJSA-N 1 0 304.350 1.546 20 5 DDBDRO O=c1c2ccc([N+](=O)[O-])cc2ncn1CCC1CC[NH2+]CC1 ZINC000581129785 421906898 /nfs/dbraw/zinc/90/68/98/421906898.db2.gz FJEVGHXGHCHBRK-UHFFFAOYSA-N 1 0 302.334 1.694 20 5 DDBDRO O=C1C[C@@]2(CCN(Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)CN1 ZINC000581585767 422005263 /nfs/dbraw/zinc/00/52/63/422005263.db2.gz QAJVBMHMHZODCY-HNNXBMFYSA-N 1 0 315.333 1.183 20 5 DDBDRO Nc1n[nH]c(C2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000590600321 422322624 /nfs/dbraw/zinc/32/26/24/422322624.db2.gz NGPKSUZVXPKMBR-UHFFFAOYSA-N 1 0 316.365 1.717 20 5 DDBDRO Cc1ccc(NC(=O)CC[NH2+]CCn2cc([N+](=O)[O-])cn2)nc1 ZINC000578435924 422568396 /nfs/dbraw/zinc/56/83/96/422568396.db2.gz YJUYROGWZSGXBK-UHFFFAOYSA-N 1 0 318.337 1.113 20 5 DDBDRO CC[NH2+]CCCNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000578441217 422570264 /nfs/dbraw/zinc/57/02/64/422570264.db2.gz GNESORPITHAADM-UHFFFAOYSA-N 1 0 302.334 1.872 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@@H](c2cccnc2)C1 ZINC000578765184 422643617 /nfs/dbraw/zinc/64/36/17/422643617.db2.gz LFHJZLNFMFEOMD-CQSZACIVSA-N 1 0 314.345 1.641 20 5 DDBDRO CNc1ccc(C(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000578827154 422652367 /nfs/dbraw/zinc/65/23/67/422652367.db2.gz LAZGMEWDWZYTJA-TXEJJXNPSA-N 1 0 304.350 1.270 20 5 DDBDRO O=C(/C=C\c1cccc([N+](=O)[O-])c1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000320268976 271025240 /nfs/dbraw/zinc/02/52/40/271025240.db2.gz YDVHOENSQUWEDY-UUSXEQNQSA-N 1 0 301.346 1.676 20 5 DDBDRO CN(C)C(=O)CC[NH+]1CCC(Nc2ncccc2[N+](=O)[O-])CC1 ZINC000344412698 272018776 /nfs/dbraw/zinc/01/87/76/272018776.db2.gz WBAKEQRVKVUAHI-UHFFFAOYSA-N 1 0 321.381 1.344 20 5 DDBDRO C[C@@H]1[C@@H](NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CCC[N@@H+]1C ZINC000344414494 272019279 /nfs/dbraw/zinc/01/92/79/272019279.db2.gz AVDLWQIOGHIUDB-MFKMUULPSA-N 1 0 320.349 1.132 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCC[C@@H]1C(=O)NC ZINC000345819386 272343462 /nfs/dbraw/zinc/34/34/62/272343462.db2.gz PPWOPJJKURYVNF-UONOGXRCSA-N 1 0 321.377 1.998 20 5 DDBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)CCn2cc([N+](=O)[O-])nc2C)C[C@H]1C ZINC000346050866 272398966 /nfs/dbraw/zinc/39/89/66/272398966.db2.gz RIDGHJDJRIVRCO-VXGBXAGGSA-N 1 0 323.397 1.431 20 5 DDBDRO COCC[N@@H+]1CCN(c2c3c(ccc2[N+](=O)[O-])NCC3)C[C@H]1C ZINC000275376323 274030120 /nfs/dbraw/zinc/03/01/20/274030120.db2.gz OGKISFCVPGQIDW-GFCCVEGCSA-N 1 0 320.393 1.720 20 5 DDBDRO COc1cc(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cc([N+](=O)[O-])c1C ZINC000423596185 274091887 /nfs/dbraw/zinc/09/18/87/274091887.db2.gz RCVQKRIPIVKNHG-NEPJUHHUSA-N 1 0 307.350 1.912 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)c1[N+](=O)[O-] ZINC000294023925 276041016 /nfs/dbraw/zinc/04/10/16/276041016.db2.gz ZHOYELSPTFWFJZ-OAHLLOKOSA-N 1 0 321.381 1.609 20 5 DDBDRO CCCc1n[nH]c(C(=O)N(C)C[C@@H]2CC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000264680833 276054442 /nfs/dbraw/zinc/05/44/42/276054442.db2.gz PFOULJVORCDCCB-SNVBAGLBSA-N 1 0 309.370 1.294 20 5 DDBDRO CC[NH+]1CCN([C@H]2CCN(c3nccc(C)c3[N+](=O)[O-])C2)CC1 ZINC000115518030 276387824 /nfs/dbraw/zinc/38/78/24/276387824.db2.gz BTMRMLCRIXUYBP-AWEZNQCLSA-N 1 0 319.409 1.514 20 5 DDBDRO C[N@@H+]1CCC[C@@H]2CN(c3ccc(C(N)=O)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000133614935 277070135 /nfs/dbraw/zinc/07/01/35/277070135.db2.gz SOPMXKQHYALAQB-OLZOCXBDSA-N 1 0 318.377 1.614 20 5 DDBDRO CN1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)Cc2ccccc21 ZINC000265991438 277106868 /nfs/dbraw/zinc/10/68/68/277106868.db2.gz IQWIQJVUZWAIND-UHFFFAOYSA-N 1 0 301.350 1.743 20 5 DDBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2c2ccc3ncc([N+](=O)[O-])n3n2)C1 ZINC000302709284 277182142 /nfs/dbraw/zinc/18/21/42/277182142.db2.gz DDRCDJFGXZZMDV-RYUDHWBXSA-N 1 0 316.365 1.558 20 5 DDBDRO COc1cc(OCC(=O)NC[C@H]2CC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000110654041 281058348 /nfs/dbraw/zinc/05/83/48/281058348.db2.gz HNOAWEWQONQIDY-LLVKDONJSA-N 1 0 323.349 1.050 20 5 DDBDRO NC(=O)[C@H]1CCCC[C@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000130924154 281398856 /nfs/dbraw/zinc/39/88/56/281398856.db2.gz XBMFHWUFSCGBHQ-UONOGXRCSA-N 1 0 307.350 1.607 20 5 DDBDRO C[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C[C@H]1CCOC1 ZINC000247019105 282029139 /nfs/dbraw/zinc/02/91/39/282029139.db2.gz LSBBIXZBEFWHTH-TZMCWYRMSA-N 1 0 310.350 1.303 20 5 DDBDRO CCn1nnc(C)c1CN(CC[NH3+])c1ccccc1[N+](=O)[O-] ZINC000449322408 288770331 /nfs/dbraw/zinc/77/03/31/288770331.db2.gz XKNJAXKXRPDANA-UHFFFAOYSA-N 1 0 304.354 1.480 20 5 DDBDRO C[NH+]1CCC(CCNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC1 ZINC000102491512 289876014 /nfs/dbraw/zinc/87/60/14/289876014.db2.gz DUUXGQNNZLAWMW-UHFFFAOYSA-N 1 0 323.397 1.375 20 5 DDBDRO Nc1ccc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000286425939 295353556 /nfs/dbraw/zinc/35/35/56/295353556.db2.gz LHLHFJWNAUHNHF-ZDUSSCGKSA-N 1 0 320.393 1.726 20 5 DDBDRO C[C@H](CCc1cccn1C)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000572393679 304522795 /nfs/dbraw/zinc/52/27/95/304522795.db2.gz SUHBDWGZLZDCMH-DOMZBBRYSA-N 1 0 321.381 1.102 20 5 DDBDRO CC[NH2+]CCCNC(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000573800955 304614996 /nfs/dbraw/zinc/61/49/96/304614996.db2.gz KGUMXTIXOFWCTM-UHFFFAOYSA-N 1 0 311.338 1.098 20 5 DDBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@H](O)[C@@H]1CCOC1)C1CC1 ZINC000358052699 299057868 /nfs/dbraw/zinc/05/78/68/299057868.db2.gz YLWVNQNZQDQMMK-VYDXJSESSA-N 1 0 320.389 1.903 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000358063745 299062427 /nfs/dbraw/zinc/06/24/27/299062427.db2.gz ZXMZVNHOGRTVFK-INIZCTEOSA-N 1 0 321.377 1.316 20 5 DDBDRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)Nc1cccc([N+](=O)[O-])c1 ZINC000363094696 300209698 /nfs/dbraw/zinc/20/96/98/300209698.db2.gz HJUNASPVYGGADS-ZIAGYGMSSA-N 1 0 320.349 1.580 20 5 DDBDRO CSc1ccc(C(=O)N2CC[C@H]3C[NH2+]C[C@H]32)cc1[N+](=O)[O-] ZINC000368067233 300944742 /nfs/dbraw/zinc/94/47/42/300944742.db2.gz VTGPFQJSTDEJSZ-CMPLNLGQSA-N 1 0 307.375 1.751 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N[C@H]1CC12CC[NH2+]CC2 ZINC000368155548 300965742 /nfs/dbraw/zinc/96/57/42/300965742.db2.gz OUUKHIKTIRWNHF-ZDUSSCGKSA-N 1 0 305.334 1.232 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC23CC[NH2+]CC3)c1 ZINC000368383657 301015724 /nfs/dbraw/zinc/01/57/24/301015724.db2.gz FNUHWWGHBKBUPY-ZDUSSCGKSA-N 1 0 305.334 1.475 20 5 DDBDRO Cc1cn2c(n1)CC[C@@H](NC(=O)c1c(N)cccc1[N+](=O)[O-])C2 ZINC000368603915 301062660 /nfs/dbraw/zinc/06/26/60/301062660.db2.gz SKMWXHMAXAACRA-SNVBAGLBSA-N 1 0 315.333 1.427 20 5 DDBDRO O=C1NCCCC[C@H]1[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369012310 301119500 /nfs/dbraw/zinc/11/95/00/301119500.db2.gz UWTKDQWGXVZDII-WCQYABFASA-N 1 0 307.354 1.097 20 5 DDBDRO C[C@@H](CN1CCOCC1)[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369019286 301120215 /nfs/dbraw/zinc/12/02/15/301120215.db2.gz XLGWVRMUWQDWJT-KBPBESRZSA-N 1 0 323.397 1.149 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@]3(CCCCO3)C2)c1 ZINC000370095055 301274706 /nfs/dbraw/zinc/27/47/06/301274706.db2.gz RDARFGGVVWUZON-HUUCEWRRSA-N 1 0 324.381 1.187 20 5 DDBDRO O=C1CC[C@H]([NH2+]CCOc2cccc([N+](=O)[O-])c2)[C@H](C2CC2)N1 ZINC000375341621 301928150 /nfs/dbraw/zinc/92/81/50/301928150.db2.gz MMNPJZPVUPBEOC-HOCLYGCPSA-N 1 0 319.361 1.620 20 5 DDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000375835323 302001595 /nfs/dbraw/zinc/00/15/95/302001595.db2.gz TTZKPXWQGSVKOK-XDTLVQLUSA-N 1 0 304.350 1.376 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000215994012 302046953 /nfs/dbraw/zinc/04/69/53/302046953.db2.gz CJYOCTUATPMQSR-QWRGUYRKSA-N 1 0 313.379 1.261 20 5 DDBDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)c1ccc([N+](=O)[O-])o1 ZINC000378227220 302299798 /nfs/dbraw/zinc/29/97/98/302299798.db2.gz WJEJQWDJAWNYHL-WZRBSPASSA-N 1 0 323.349 1.512 20 5 DDBDRO C[C@@H]([NH3+])[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000447244192 302395831 /nfs/dbraw/zinc/39/58/31/302395831.db2.gz CKURTMLFCAVFRD-HTQZYQBOSA-N 1 0 305.381 1.014 20 5 DDBDRO CC[NH+]1CCN(CC(C)(C)Nc2ncccc2[N+](=O)[O-])CC1 ZINC000450923246 302398599 /nfs/dbraw/zinc/39/85/99/302398599.db2.gz QFZLSKPBRMZCPP-UHFFFAOYSA-N 1 0 307.398 1.818 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000515806225 302781121 /nfs/dbraw/zinc/78/11/21/302781121.db2.gz SSUDVIWEDAQTGF-TXEJJXNPSA-N 1 0 304.350 1.895 20 5 DDBDRO [NH3+][C@@H]1CCC[C@H](CNC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000449639816 303463721 /nfs/dbraw/zinc/46/37/21/303463721.db2.gz QSNGBXKVJQXZCY-NWDGAFQWSA-N 1 0 307.350 1.607 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]Cc2cccnc2)c1 ZINC000556601363 303744981 /nfs/dbraw/zinc/74/49/81/303744981.db2.gz KOTQIFNZBKAFDL-AWEZNQCLSA-N 1 0 303.318 1.519 20 5 DDBDRO C[NH2+]C[C@H](C)CNC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000561159446 303832183 /nfs/dbraw/zinc/83/21/83/303832183.db2.gz MELCTXLWLBOBEP-NSHDSACASA-N 1 0 310.354 1.128 20 5 DDBDRO CCO[C@@H]1COCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000362009974 307012341 /nfs/dbraw/zinc/01/23/41/307012341.db2.gz BQVQQWOWJMTAQA-IUODEOHRSA-N 1 0 310.350 1.887 20 5 DDBDRO CC1CCC([NH+]2CCC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CC1 ZINC000363673372 307032996 /nfs/dbraw/zinc/03/29/96/307032996.db2.gz CBDKHKHILKBMRE-UZVIJOLCSA-N 1 0 309.410 1.811 20 5 DDBDRO CSC[C@@H](O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365126883 307059876 /nfs/dbraw/zinc/05/98/76/307059876.db2.gz UFGHHWLKTQEUQS-NSHDSACASA-N 1 0 300.384 1.152 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H]2OCC[C@H]21 ZINC000366471691 307074535 /nfs/dbraw/zinc/07/45/35/307074535.db2.gz ICWKESIPZMEXMG-GZBFAFLISA-N 1 0 322.361 1.588 20 5 DDBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)CNc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000368614982 307106500 /nfs/dbraw/zinc/10/65/00/307106500.db2.gz SOIZADIBGDVTTP-FRRDWIJNSA-N 1 0 318.377 1.593 20 5 DDBDRO CCN(C)C(=O)CC[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369001202 307113995 /nfs/dbraw/zinc/11/39/95/307113995.db2.gz KZNTXMAKBHAXMF-GFCCVEGCSA-N 1 0 309.370 1.297 20 5 DDBDRO Cc1nn(C)c(C)c1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000369493130 307121879 /nfs/dbraw/zinc/12/18/79/307121879.db2.gz KDSJNJUCBYNUCY-UHFFFAOYSA-N 1 0 318.381 1.979 20 5 DDBDRO Cc1nn(C)c(C(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1[N+](=O)[O-] ZINC000371226767 307145439 /nfs/dbraw/zinc/14/54/39/307145439.db2.gz CKRJXSXAYPGWJR-NEPJUHHUSA-N 1 0 321.381 1.241 20 5 DDBDRO COC(=O)c1cc(NC(=O)[C@@H]2C[C@@]23CC[NH2+]C3)cc([N+](=O)[O-])c1 ZINC000372921357 307176611 /nfs/dbraw/zinc/17/66/11/307176611.db2.gz JMSDCVJNRYCPCL-SWLSCSKDSA-N 1 0 319.317 1.320 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CC[C@@](O)(C3CC3)C2)c1 ZINC000373907802 307197994 /nfs/dbraw/zinc/19/79/94/307197994.db2.gz GQMQEIDHNYGMMN-HOCLYGCPSA-N 1 0 322.361 1.181 20 5 DDBDRO COC(=O)[C@@]12CCC[C@@H]1C[N@H+](CCn1cc([N+](=O)[O-])cn1)C2 ZINC000374695376 307211807 /nfs/dbraw/zinc/21/18/07/307211807.db2.gz FNIMJXROSTXSGG-BXUZGUMPSA-N 1 0 308.338 1.066 20 5 DDBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000531633529 307620842 /nfs/dbraw/zinc/62/08/42/307620842.db2.gz NDULVJMSKQAJKN-GFCCVEGCSA-N 1 0 306.366 1.794 20 5 DDBDRO O=C(Nc1ccncc1[N+](=O)[O-])N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000556978772 307861146 /nfs/dbraw/zinc/86/11/46/307861146.db2.gz VTDABZYLPIXAJJ-AWEZNQCLSA-N 1 0 305.338 1.019 20 5 DDBDRO CC(F)(F)CC[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000566122719 308044373 /nfs/dbraw/zinc/04/43/73/308044373.db2.gz URASTLPBUZPNSS-JTQLQIEISA-N 1 0 304.293 1.969 20 5 DDBDRO COc1cc(C(=O)N2CC[C@@H]([NH3+])C[C@H]2C)cc([N+](=O)[O-])c1OC ZINC000567058539 308069740 /nfs/dbraw/zinc/06/97/40/308069740.db2.gz XLYMOZRTEIKPCK-MWLCHTKSSA-N 1 0 323.349 1.564 20 5 DDBDRO C[NH2+][C@H](C)Cc1noc(-c2cc3c(cc2[N+](=O)[O-])OCO3)n1 ZINC000568629845 308125315 /nfs/dbraw/zinc/12/53/15/308125315.db2.gz LZWGBPDOXYGJMY-SSDOTTSWSA-N 1 0 306.278 1.524 20 5 DDBDRO CC[NH2+]CCCNS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000570800790 308180257 /nfs/dbraw/zinc/18/02/57/308180257.db2.gz ZTHMODTUFARCGU-UHFFFAOYSA-N 1 0 315.395 1.490 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H]1CCN(C2CC2)C1 ZINC000570837478 308182222 /nfs/dbraw/zinc/18/22/22/308182222.db2.gz RYJUAJANIKBYFD-GXTWGEPZSA-N 1 0 321.377 1.161 20 5 DDBDRO CNc1ccc(C(=O)N2CC[C@]3(C2)CCC[NH2+]C3)cc1[N+](=O)[O-] ZINC000571088230 308190175 /nfs/dbraw/zinc/19/01/75/308190175.db2.gz DLIJWSVEVVMDLH-MRXNPFEDSA-N 1 0 318.377 1.852 20 5 DDBDRO C[NH2+]CCN(C)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000572962068 308229652 /nfs/dbraw/zinc/22/96/52/308229652.db2.gz JOCUFINVBQHTGS-UHFFFAOYSA-N 1 0 320.393 1.489 20 5 DDBDRO CC[NH2+]CCCNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000574156084 308263109 /nfs/dbraw/zinc/26/31/09/308263109.db2.gz IAHOLBFSJSYPSK-UHFFFAOYSA-N 1 0 317.349 1.510 20 5 DDBDRO Cc1c(NC(=O)CC[NH2+][C@@H]2C[C@@H](O)C2(C)C)cccc1[N+](=O)[O-] ZINC000574287386 308266519 /nfs/dbraw/zinc/26/65/19/308266519.db2.gz DKFSBVPRFJAUIW-ZIAGYGMSSA-N 1 0 321.377 1.981 20 5 DDBDRO CC1(C)[C@H](O)C[C@H]1[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000578080380 308435819 /nfs/dbraw/zinc/43/58/19/308435819.db2.gz VCIPYLUFEUKSNS-ZIAGYGMSSA-N 1 0 319.361 1.233 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@H](O)C2CCC2)c1 ZINC000582845954 337206548 /nfs/dbraw/zinc/20/65/48/337206548.db2.gz RMKYYWUNUJQXNJ-HIFRSBDPSA-N 1 0 310.350 1.085 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2[C@@H](C)[NH2+]CC[C@@H]2C)c1 ZINC000583199071 337266342 /nfs/dbraw/zinc/26/63/42/337266342.db2.gz XCXBVZYKWXBMFH-IMSIIYSGSA-N 1 0 307.350 1.720 20 5 DDBDRO COC(=O)c1cc(C)nc(N[C@H]2CCC[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000420234878 533771408 /nfs/dbraw/zinc/77/14/08/533771408.db2.gz HUKKQVWPZRGHBC-UWVGGRQHSA-N 1 0 308.338 1.767 20 5 DDBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000299264490 533830080 /nfs/dbraw/zinc/83/00/80/533830080.db2.gz VKEZKUZPFPNOCX-STQMWFEESA-N 1 0 323.397 1.418 20 5 DDBDRO Cc1c(CN2C[C@@H](C)[N@@H+](CCO)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000419331778 533847534 /nfs/dbraw/zinc/84/75/34/533847534.db2.gz RUTJOXPZBVJYDN-CHWSQXEVSA-N 1 0 307.394 1.790 20 5 DDBDRO O=C(NC[C@H]1CCC[N@H+]1CCCO)c1ccc([N+](=O)[O-])s1 ZINC000452348347 534641606 /nfs/dbraw/zinc/64/16/06/534641606.db2.gz LFBVLNQSJCCMRX-SNVBAGLBSA-N 1 0 313.379 1.233 20 5 DDBDRO O=C(NC[C@H]1CCC[N@H+]1CCCO)c1ccc([N+](=O)[O-])cc1 ZINC000452347589 534642278 /nfs/dbraw/zinc/64/22/78/534642278.db2.gz IYHRNZVZMMJIJJ-CQSZACIVSA-N 1 0 307.350 1.171 20 5 DDBDRO [NH3+]C[C@H]1CCCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000428618298 534688715 /nfs/dbraw/zinc/68/87/15/534688715.db2.gz MMFXJNHDJJOALG-LLVKDONJSA-N 1 0 318.377 1.980 20 5 DDBDRO CCOC(=O)c1cc(C(=O)N2CC[C@@H]([NH2+]C)C2)cc([N+](=O)[O-])c1 ZINC000422704315 528142126 /nfs/dbraw/zinc/14/21/26/528142126.db2.gz KIYPLTLPEQTFCB-GFCCVEGCSA-N 1 0 321.333 1.205 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000415664461 528614801 /nfs/dbraw/zinc/61/48/01/528614801.db2.gz UCOIYZHCQNJSRX-LLVKDONJSA-N 1 0 308.338 1.852 20 5 DDBDRO C[C@@H]1CCC[N@@H+]1CCNc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000820715696 599084459 /nfs/dbraw/zinc/08/44/59/599084459.db2.gz CQTJEVHWEUTQGW-SECBINFHSA-N 1 0 318.341 1.066 20 5 DDBDRO CN(C[C@H]1CC[N@H+](C)C1)c1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000736846694 598797600 /nfs/dbraw/zinc/79/76/00/598797600.db2.gz ALQRNZIWPALNDW-JTQLQIEISA-N 1 0 317.353 1.163 20 5 DDBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000824994178 608554781 /nfs/dbraw/zinc/55/47/81/608554781.db2.gz UBYRWGVADQRACN-NXEZZACHSA-N 1 0 317.353 1.304 20 5 DDBDRO CC[NH+](CC)CCO[C@@H]1CCN(Cn2cc([N+](=O)[O-])cn2)C1 ZINC000747470702 700072141 /nfs/dbraw/zinc/07/21/41/700072141.db2.gz OTHTZJMMISPNIH-CQSZACIVSA-N 1 0 311.386 1.182 20 5 DDBDRO CC(C)N(CC[NH+](C)C)S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000120074114 696689592 /nfs/dbraw/zinc/68/95/92/696689592.db2.gz AOTWGXKOHUPTDM-UHFFFAOYSA-N 1 0 321.424 1.617 20 5 DDBDRO CC(C)[N@H+](C)CCNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000126524767 696763017 /nfs/dbraw/zinc/76/30/17/696763017.db2.gz NWYLBVIJHTWCRR-UHFFFAOYSA-N 1 0 319.358 1.352 20 5 DDBDRO Cc1nn(CN2CCC[C@@H]2C[NH+]2CCCC2)c(C)c1[N+](=O)[O-] ZINC000172485877 697368043 /nfs/dbraw/zinc/36/80/43/697368043.db2.gz SNMPSFZPGMWFHW-CQSZACIVSA-N 1 0 307.398 1.926 20 5 DDBDRO CC(C)(C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)N1CCOCC1 ZINC000776270183 698090110 /nfs/dbraw/zinc/09/01/10/698090110.db2.gz ACFVMYYBUMJVHR-OAHLLOKOSA-N 1 0 323.393 1.329 20 5 DDBDRO CNC(=O)[C@@H]1CCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776582445 698121623 /nfs/dbraw/zinc/12/16/23/698121623.db2.gz QOYVJOBTSZLIDS-OCCSQVGLSA-N 1 0 307.350 1.086 20 5 DDBDRO C[C@@H]([NH3+])[C@@H]1CCCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000261946621 698446737 /nfs/dbraw/zinc/44/67/37/698446737.db2.gz MJVFCLJORCZAHF-ZYHUDNBSSA-N 1 0 306.366 1.253 20 5 DDBDRO CNc1c(C(=O)NCC[N@@H+]2CCC[C@H]2C)cccc1[N+](=O)[O-] ZINC000783913972 698891905 /nfs/dbraw/zinc/89/19/05/698891905.db2.gz FHEWKSDZIQPGPM-LLVKDONJSA-N 1 0 306.366 1.851 20 5 DDBDRO COc1cccc(C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)c1[N+](=O)[O-] ZINC000424026601 699147635 /nfs/dbraw/zinc/14/76/35/699147635.db2.gz KWIDMDXNVZTLHV-HNNXBMFYSA-N 1 0 305.334 1.572 20 5 DDBDRO CN(C(=O)c1ccc(N)c([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000732165310 699548655 /nfs/dbraw/zinc/54/86/55/699548655.db2.gz DZCMTFNIOPBJBW-GFCCVEGCSA-N 1 0 304.350 1.486 20 5 DDBDRO CC(C)[C@H](C[NH+](C)C)NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000733164656 699581528 /nfs/dbraw/zinc/58/15/28/699581528.db2.gz ARROZFWVYUMPJX-ZDUSSCGKSA-N 1 0 319.365 1.787 20 5 DDBDRO COC[C@H]1CC[N@H+](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000739876151 699781991 /nfs/dbraw/zinc/78/19/91/699781991.db2.gz XUKNFWZVRMORQS-LBPRGKRZSA-N 1 0 317.349 1.779 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000742058398 699858904 /nfs/dbraw/zinc/85/89/04/699858904.db2.gz BDMDYHXZBOONGU-STQMWFEESA-N 1 0 319.361 1.496 20 5 DDBDRO CC(C)CC1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000760927084 700829753 /nfs/dbraw/zinc/82/97/53/700829753.db2.gz SBTKEQJRAYIWGS-OAHLLOKOSA-N 1 0 310.398 1.910 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[N@H+](C)[C@@H](C)C1 ZINC000761077602 700840593 /nfs/dbraw/zinc/84/05/93/700840593.db2.gz NDZVILHYIJNDOK-LBPRGKRZSA-N 1 0 306.366 1.478 20 5 DDBDRO Cc1nn(C[N@H+](C)CC2CCOCC2)c2ncc([N+](=O)[O-])cc12 ZINC000767982653 701150334 /nfs/dbraw/zinc/15/03/34/701150334.db2.gz LFOVFJWYRYOMHP-UHFFFAOYSA-N 1 0 319.365 1.964 20 5 DDBDRO C[N@H+](CCNS(=O)(=O)c1csc([N+](=O)[O-])c1)C1CC1 ZINC000768813619 701205451 /nfs/dbraw/zinc/20/54/51/701205451.db2.gz STKQIVHOVPXFOR-UHFFFAOYSA-N 1 0 305.381 1.029 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H](CCO)C1CC1 ZINC000771806571 701331847 /nfs/dbraw/zinc/33/18/47/701331847.db2.gz XBJPOXDSRSIEBE-GFCCVEGCSA-N 1 0 307.350 1.592 20 5 DDBDRO Cc1nn(C)c(N2CCC3(CC2)CC[NH+](C)CC3)c1[N+](=O)[O-] ZINC000866054944 706605924 /nfs/dbraw/zinc/60/59/24/706605924.db2.gz LRYDVEKFRLGWMH-UHFFFAOYSA-N 1 0 307.398 1.949 20 5 DDBDRO C[NH+](C)CCCOc1ccc(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC000839649941 701766005 /nfs/dbraw/zinc/76/60/05/701766005.db2.gz MMRRYOVWUCFTIE-HUUCEWRRSA-N 1 0 321.377 1.299 20 5 DDBDRO Cc1nnc([C@H]2CC[N@H+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)C2)[nH]1 ZINC000839658327 701768764 /nfs/dbraw/zinc/76/87/64/701768764.db2.gz FAMHGQDRLDNQOP-JSGCOSHPSA-N 1 0 317.349 1.544 20 5 DDBDRO C[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000839700086 701789736 /nfs/dbraw/zinc/78/97/36/701789736.db2.gz JIUGHIHINDJBTI-ARLBYUKCSA-N 1 0 317.389 1.821 20 5 DDBDRO C[C@H]1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[N@H+](Cc2ccccc2)C1 ZINC000839785162 701826269 /nfs/dbraw/zinc/82/62/69/701826269.db2.gz BHGNFMJJSDRKBC-FVQBIDKESA-N 1 0 317.389 1.632 20 5 DDBDRO C[C@@H]([NH2+]C[C@H](CO)c1cccnc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815626419 701905353 /nfs/dbraw/zinc/90/53/53/701905353.db2.gz CUGIMMDTAPVTRS-BXUZGUMPSA-N 1 0 316.361 1.999 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)NCc3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000868062295 701920550 /nfs/dbraw/zinc/92/05/50/701920550.db2.gz KJWFUVRYWCCNCI-KGLIPLIRSA-N 1 0 318.377 1.830 20 5 DDBDRO C[C@H](CNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)C[NH+](C)C ZINC000816831730 702200114 /nfs/dbraw/zinc/20/01/14/702200114.db2.gz FEQRGWNDOFKVMR-LLVKDONJSA-N 1 0 319.365 1.258 20 5 DDBDRO C[N@@H+]1C[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000816954720 702238714 /nfs/dbraw/zinc/23/87/14/702238714.db2.gz JJNZEHZHEDHZFL-NOZJJQNGSA-N 1 0 320.305 1.279 20 5 DDBDRO [NH3+]C[C@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CCO1 ZINC000841233158 702397056 /nfs/dbraw/zinc/39/70/56/702397056.db2.gz MWWPJHXHHAINEQ-QMMMGPOBSA-N 1 0 314.729 1.440 20 5 DDBDRO C[NH+](C)C1(CNC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000841453544 702454861 /nfs/dbraw/zinc/45/48/61/702454861.db2.gz QMJVITSHEOQEPK-UHFFFAOYSA-N 1 0 317.349 1.155 20 5 DDBDRO [NH3+]CC1(Cc2nc(CCNc3ccccc3[N+](=O)[O-])no2)CC1 ZINC000841828092 702574272 /nfs/dbraw/zinc/57/42/72/702574272.db2.gz OCTYGKOMZFEVCB-UHFFFAOYSA-N 1 0 317.349 1.914 20 5 DDBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H](CO)c1ccnn1C ZINC000866394818 706688838 /nfs/dbraw/zinc/68/88/38/706688838.db2.gz GJKQLXLPUJYELI-MFKMUULPSA-N 1 0 322.340 1.722 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)NCC2([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000842271447 702693933 /nfs/dbraw/zinc/69/39/33/702693933.db2.gz DMDAGMNHNFZJQJ-UHFFFAOYSA-N 1 0 322.321 1.635 20 5 DDBDRO CS[C@H](CO)[C@@H](C)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843083818 702815682 /nfs/dbraw/zinc/81/56/82/702815682.db2.gz RMHCGGQZZHGBHD-OASPWFOLSA-N 1 0 300.380 1.330 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@@H]2CCCCN2CCO)c1 ZINC000843092758 702817585 /nfs/dbraw/zinc/81/75/85/702817585.db2.gz KSVAURCNLAHBQQ-HOTGVXAUSA-N 1 0 323.393 1.065 20 5 DDBDRO O=[N+]([O-])c1ccccc1NCCc1noc([C@@H]2C[NH2+]CCO2)n1 ZINC000843183979 702835933 /nfs/dbraw/zinc/83/59/33/702835933.db2.gz BQDHJTLIARKIAG-LBPRGKRZSA-N 1 0 319.321 1.293 20 5 DDBDRO COc1cc(Cc2noc(C[C@@H]([NH3+])C3CC3)n2)ccc1[N+](=O)[O-] ZINC000843192382 702838306 /nfs/dbraw/zinc/83/83/06/702838306.db2.gz TYQFOTUUUKAZIH-LLVKDONJSA-N 1 0 318.333 1.857 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000843483849 702890534 /nfs/dbraw/zinc/89/05/34/702890534.db2.gz FQQOMCBNNBNYHZ-GXSJLCMTSA-N 1 0 322.321 1.669 20 5 DDBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)CO[C@H]1CCC[NH2+]C1)CC2 ZINC000843495430 702893630 /nfs/dbraw/zinc/89/36/30/702893630.db2.gz RHAKVDIUDDNIFP-ZDUSSCGKSA-N 1 0 319.361 1.561 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N(C)[C@H](C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000843498841 702894863 /nfs/dbraw/zinc/89/48/63/702894863.db2.gz URNYENCBGZDITO-CYBMUJFWSA-N 1 0 322.321 1.621 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N(C)CCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000843847852 702932950 /nfs/dbraw/zinc/93/29/50/702932950.db2.gz MIELVHMBUYJKDG-UHFFFAOYSA-N 1 0 324.337 1.835 20 5 DDBDRO CCC(=O)c1ccc(N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000848766282 703586054 /nfs/dbraw/zinc/58/60/54/703586054.db2.gz OORFMVQDFIYWDH-QWHCGFSZSA-N 1 0 319.361 1.443 20 5 DDBDRO COC[C@@H](C)NC(=[NH2+])NCc1cc([N+](=O)[O-])ccc1Cl ZINC000849012701 703610656 /nfs/dbraw/zinc/61/06/56/703610656.db2.gz RZZKQUURWZLYFT-MRVPVSSYSA-N 1 0 300.746 1.897 20 5 DDBDRO COC[C@H](C)NC(=[NH2+])NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000849016413 703611014 /nfs/dbraw/zinc/61/10/14/703611014.db2.gz ZOBJNYQUJGFZOI-VIFPVBQESA-N 1 0 314.773 1.940 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[NH2+]CCC1(C)C ZINC000866699534 706768358 /nfs/dbraw/zinc/76/83/58/706768358.db2.gz JXGBFWZKLUIYRK-UHFFFAOYSA-N 1 0 320.393 1.916 20 5 DDBDRO O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000818563903 703926721 /nfs/dbraw/zinc/92/67/21/703926721.db2.gz RZRFDMHFOKXGFM-LLVKDONJSA-N 1 0 320.305 1.470 20 5 DDBDRO Cc1cc(F)cc(C(=O)N[C@H]2CC23CC[NH2+]CC3)c1[N+](=O)[O-] ZINC000818603666 703937010 /nfs/dbraw/zinc/93/70/10/703937010.db2.gz IHSMUJJNZIIOCH-LBPRGKRZSA-N 1 0 307.325 1.914 20 5 DDBDRO Cc1nccn1CCC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818967876 704037401 /nfs/dbraw/zinc/03/74/01/704037401.db2.gz DMJOUDVCXYWNDY-OAHLLOKOSA-N 1 0 304.350 1.813 20 5 DDBDRO CO[C@H](C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000819070656 704065089 /nfs/dbraw/zinc/06/50/89/704065089.db2.gz YTMYXMXSGXXBFE-GHMZBOCLSA-N 1 0 308.256 1.795 20 5 DDBDRO C[C@@H]1C[C@@H]1N1C[C@@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1=O ZINC000819120949 704072153 /nfs/dbraw/zinc/07/21/53/704072153.db2.gz DKGYFUDZFQQUAN-UEEZHKSASA-N 1 0 319.361 1.227 20 5 DDBDRO CC[C@H](C[NH+](C)C)OC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000870554165 704075348 /nfs/dbraw/zinc/07/53/48/704075348.db2.gz AUFNKKCSBIWJTI-CYBMUJFWSA-N 1 0 320.349 1.828 20 5 DDBDRO C[C@@H]1C[C@@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CN1C1CC1 ZINC000819143954 704075638 /nfs/dbraw/zinc/07/56/38/704075638.db2.gz RLQOLPUWMNLYPX-KFNAQCHYSA-N 1 0 305.378 1.843 20 5 DDBDRO CC1(C)OCC([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CO1 ZINC000819226758 704090346 /nfs/dbraw/zinc/09/03/46/704090346.db2.gz XGKDEQYYCCDTOW-UHFFFAOYSA-N 1 0 323.349 1.665 20 5 DDBDRO O=[N+]([O-])c1ccc(F)cc1CN1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000852710028 704103864 /nfs/dbraw/zinc/10/38/64/704103864.db2.gz HZLQNZGOBIKNOA-HNNXBMFYSA-N 1 0 323.368 1.765 20 5 DDBDRO CCCN1C[C@H](C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000819375903 704115815 /nfs/dbraw/zinc/11/58/15/704115815.db2.gz VEGJLGAHKYABTA-SWLSCSKDSA-N 1 0 321.377 1.476 20 5 DDBDRO Cc1c(C(=O)N2CC3CC2(C[NH3+])C3)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000852859712 704151321 /nfs/dbraw/zinc/15/13/21/704151321.db2.gz XZWNUQZWEJBQDB-UHFFFAOYSA-N 1 0 320.305 1.375 20 5 DDBDRO O=C(CCC12CC(C1)C[NH2+]2)NCCc1ccccc1[N+](=O)[O-] ZINC000870894508 704160069 /nfs/dbraw/zinc/16/00/69/704160069.db2.gz VYNCBZDOWJSNNT-UHFFFAOYSA-N 1 0 303.362 1.786 20 5 DDBDRO O=[N+]([O-])c1ccc(OCC[NH2+]C[C@@H](O)c2ccccn2)cc1 ZINC000853098484 704196433 /nfs/dbraw/zinc/19/64/33/704196433.db2.gz JWCJYUFKKDWBAT-OAHLLOKOSA-N 1 0 303.318 1.692 20 5 DDBDRO C[C@@]12COC[C@@H]1C[N@H+](Cn1ncc3cc([N+](=O)[O-])ccc31)C2 ZINC000853565544 704271799 /nfs/dbraw/zinc/27/17/99/704271799.db2.gz HBZNGGOPEKKTDR-SWLSCSKDSA-N 1 0 302.334 1.870 20 5 DDBDRO CC(=O)N1C[C@@H]2C[N@@H+](Cc3cccc([N+](=O)[O-])c3C)C[C@@H]2C1 ZINC000821322269 704390505 /nfs/dbraw/zinc/39/05/05/704390505.db2.gz FWPNHRAPXVQTKX-GASCZTMLSA-N 1 0 303.362 1.813 20 5 DDBDRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cc([N+](=O)[O-])ccc1N)C2 ZINC000854735267 704445836 /nfs/dbraw/zinc/44/58/36/704445836.db2.gz MJGUTCKTAPAYMQ-MRXNPFEDSA-N 1 0 318.377 1.735 20 5 DDBDRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000855165883 704471747 /nfs/dbraw/zinc/47/17/47/704471747.db2.gz ZRWHDRQNQODKHJ-VIFPVBQESA-N 1 0 307.354 1.175 20 5 DDBDRO CC[C@@H](C)[NH+]1CCN(C(=O)Cn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000821847782 704824907 /nfs/dbraw/zinc/82/49/07/704824907.db2.gz IZRSJJVDQBVNOT-LLVKDONJSA-N 1 0 309.370 1.042 20 5 DDBDRO CNc1nccc(C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3C)c1[N+](=O)[O-] ZINC000874830013 705188228 /nfs/dbraw/zinc/18/82/28/705188228.db2.gz PRIKSHOALVPETQ-VXGBXAGGSA-N 1 0 319.365 1.340 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000874842456 705197565 /nfs/dbraw/zinc/19/75/65/705197565.db2.gz HSLDRILZNQFZLX-OLZOCXBDSA-N 1 0 321.381 1.185 20 5 DDBDRO CO[C@H]1C[N@H+](C)[C@@](C)(COC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000861339489 705433258 /nfs/dbraw/zinc/43/32/58/705433258.db2.gz CDWSWBMNCLSUOB-IAQYHMDHSA-N 1 0 308.334 1.861 20 5 DDBDRO C[C@H]([NH3+])CN(C)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000861608004 705519140 /nfs/dbraw/zinc/51/91/40/705519140.db2.gz HYMHCFYXLWTPCA-QMMMGPOBSA-N 1 0 300.746 1.737 20 5 DDBDRO CC1CC[NH+](CCNC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000825078715 705595582 /nfs/dbraw/zinc/59/55/82/705595582.db2.gz AKRSLBJBUKUSJJ-OAHLLOKOSA-N 1 0 321.377 1.476 20 5 DDBDRO CCN(C(=O)c1ccc(N)c([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000861893152 705597137 /nfs/dbraw/zinc/59/71/37/705597137.db2.gz GDZNPWOFVUBRMH-UHFFFAOYSA-N 1 0 306.366 1.733 20 5 DDBDRO C[NH+](C)[C@H]1CCCN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000825630228 705706086 /nfs/dbraw/zinc/70/60/86/705706086.db2.gz BUBGZZFRRKDHPN-KBPBESRZSA-N 1 0 307.350 1.181 20 5 DDBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000826646700 705833326 /nfs/dbraw/zinc/83/33/26/705833326.db2.gz DRMGDQRVUIVVHS-DOMZBBRYSA-N 1 0 321.377 1.428 20 5 DDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@@H](O)c3ccccc3)C2)c1 ZINC000876890607 705910955 /nfs/dbraw/zinc/91/09/55/705910955.db2.gz DAICIZHTEQVGEG-SSDMNJCBSA-N 1 0 302.334 1.818 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N(C)C[C@@H](C)[NH3+] ZINC000863565579 705959185 /nfs/dbraw/zinc/95/91/85/705959185.db2.gz NOYMPYGTOCMCQR-NXEZZACHSA-N 1 0 310.354 1.209 20 5 DDBDRO CS[C@H]1CN(C(=O)CCC(C)(C)[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000827426504 705997672 /nfs/dbraw/zinc/99/76/72/705997672.db2.gz SAWUMMKBIUZZTE-QWRGUYRKSA-N 1 0 303.428 1.326 20 5 DDBDRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000877172321 706005997 /nfs/dbraw/zinc/00/59/97/706005997.db2.gz QHYKZRIXKAKPQK-VXNVDRBHSA-N 1 0 315.732 1.878 20 5 DDBDRO CCO[C@@H]1C[C@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)[C@H]1OC ZINC000877350979 706076003 /nfs/dbraw/zinc/07/60/03/706076003.db2.gz IJAOMCUXNOIKDL-UDQDRUOESA-N 1 0 310.354 1.277 20 5 DDBDRO CCO[C@@H]1C[C@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)[C@@H]1OC ZINC000877350976 706076020 /nfs/dbraw/zinc/07/60/20/706076020.db2.gz IJAOMCUXNOIKDL-AADCXKMSSA-N 1 0 310.354 1.277 20 5 DDBDRO COc1cccc(C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)c1[N+](=O)[O-] ZINC000877373737 706084955 /nfs/dbraw/zinc/08/49/55/706084955.db2.gz HFIDJYMPXUGIHI-ZUZCIYMTSA-N 1 0 305.334 1.285 20 5 DDBDRO COc1ccc(CC(=O)N[C@@]23CCC[C@@H]2[NH2+]CC3)cc1[N+](=O)[O-] ZINC000877393704 706093805 /nfs/dbraw/zinc/09/38/05/706093805.db2.gz QTNLEGLPMLDZHA-GOEBONIOSA-N 1 0 319.361 1.547 20 5 DDBDRO CO[C@@H](CN(CC[NH3+])c1ccc([N+](=O)[O-])cc1)[C@H]1CCOC1 ZINC000877521757 706130925 /nfs/dbraw/zinc/13/09/25/706130925.db2.gz CILPIXAUGNUVQJ-WFASDCNBSA-N 1 0 309.366 1.411 20 5 DDBDRO CC(C)(O)CN1CC[C@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000872218905 707334372 /nfs/dbraw/zinc/33/43/72/707334372.db2.gz TWGPYJUPOOTNEH-ZFWWWQNUSA-N 1 0 323.393 1.063 20 5 DDBDRO C[C@H]1CSC[C@H]1[NH2+][C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000877831474 706226978 /nfs/dbraw/zinc/22/69/78/706226978.db2.gz UUXOJXBDXKAKCY-KQURDKLPSA-N 1 0 312.391 1.330 20 5 DDBDRO C[C@@H]1CN(c2c(F)cc([N+](=O)[O-])cc2F)C[C@H](C)N1CCO ZINC000829015227 706273661 /nfs/dbraw/zinc/27/36/61/706273661.db2.gz BIKJXGAPVZKHCZ-AOOOYVTPSA-N 1 0 315.320 1.764 20 5 DDBDRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1c(F)cccc1[N+](=O)[O-] ZINC000865057856 706338419 /nfs/dbraw/zinc/33/84/19/706338419.db2.gz FXDTVXVYTQFIDS-GHMZBOCLSA-N 1 0 323.324 1.327 20 5 DDBDRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000880137799 706887928 /nfs/dbraw/zinc/88/79/28/706887928.db2.gz KVMDWBWLQJUECK-BZUAXINKSA-N 1 0 305.378 1.797 20 5 DDBDRO O=C1CC2(CCC2)[N@H+](CCOc2cccc([N+](=O)[O-])c2)CCN1 ZINC000880171207 706900460 /nfs/dbraw/zinc/90/04/60/706900460.db2.gz VSOINYJQFSYQLQ-UHFFFAOYSA-N 1 0 319.361 1.718 20 5 DDBDRO C[NH+](C)CCCS(=O)(=O)Oc1c(F)cccc1[N+](=O)[O-] ZINC000867115339 706901242 /nfs/dbraw/zinc/90/12/42/706901242.db2.gz QUDCISHUOWJODF-UHFFFAOYSA-N 1 0 306.315 1.394 20 5 DDBDRO COC(=O)[C@]12CCC[C@H]1[N@H+](CCn1c(C)ncc1[N+](=O)[O-])CC2 ZINC000880184550 706904416 /nfs/dbraw/zinc/90/44/16/706904416.db2.gz KMQWLHRLLUNDSF-DOMZBBRYSA-N 1 0 322.365 1.517 20 5 DDBDRO COC(=O)[C@]12CCC[C@H]1[N@H+](Cc1cn(C)nc1[N+](=O)[O-])CC2 ZINC000880184768 706904808 /nfs/dbraw/zinc/90/48/08/706904808.db2.gz SBMXLVJTHDQGDE-RISCZKNCSA-N 1 0 308.338 1.246 20 5 DDBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000832866012 706996343 /nfs/dbraw/zinc/99/63/43/706996343.db2.gz PCUXPUDCXYGGFE-DOMZBBRYSA-N 1 0 323.393 1.865 20 5 DDBDRO CCCC[C@H](C[NH3+])NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000834312820 707028313 /nfs/dbraw/zinc/02/83/13/707028313.db2.gz JOVSKHRICMDZHL-GFCCVEGCSA-N 1 0 319.365 1.578 20 5 DDBDRO CC1([NH+]2CCC2)CCC(NC(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000834799712 707122426 /nfs/dbraw/zinc/12/24/26/707122426.db2.gz UPLZFPCLQADFDH-UHFFFAOYSA-N 1 0 321.381 1.315 20 5 DDBDRO Cc1cc(C(=O)N[C@H](CC[NH3+])C(F)F)c(N)c([N+](=O)[O-])c1 ZINC000834832582 707133164 /nfs/dbraw/zinc/13/31/64/707133164.db2.gz XMDFJVFZPYYXIS-MRVPVSSYSA-N 1 0 302.281 1.198 20 5 DDBDRO C[NH+](C)Cc1cccc(C(=O)OCCn2cc([N+](=O)[O-])cn2)c1 ZINC000835337962 707226645 /nfs/dbraw/zinc/22/66/45/707226645.db2.gz YCAKVGMIOCJOOR-UHFFFAOYSA-N 1 0 318.333 1.710 20 5 DDBDRO C[NH+](C)CCOC1CCN(c2ccnc(F)c2[N+](=O)[O-])CC1 ZINC000881974849 707450888 /nfs/dbraw/zinc/45/08/88/707450888.db2.gz KXQHJRDAPHQMMP-UHFFFAOYSA-N 1 0 312.345 1.676 20 5 DDBDRO CCOC(=O)[C@H]1NCC[C@H]1[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000873251533 707785230 /nfs/dbraw/zinc/78/52/30/707785230.db2.gz KXPBWKXJPYAIQK-OCCSQVGLSA-N 1 0 307.350 1.286 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C2CCN(C3CC3)CC2)cc1 ZINC000838986837 708010593 /nfs/dbraw/zinc/01/05/93/708010593.db2.gz OKDBGXNQESYXNZ-MRXNPFEDSA-N 1 0 305.378 1.845 20 5 DDBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000883898312 708079246 /nfs/dbraw/zinc/07/92/46/708079246.db2.gz XDVUSYLYTFAYMS-CQSZACIVSA-N 1 0 320.393 1.873 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]1C[NH2+]CC1(C)C ZINC000884099055 708138256 /nfs/dbraw/zinc/13/82/56/708138256.db2.gz CPHDTJAZHFSLGT-GFCCVEGCSA-N 1 0 307.350 1.465 20 5 DDBDRO C[N@@H+]1C[C@@H]2CN(c3c([N+](=O)[O-])cccc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000896912897 708181062 /nfs/dbraw/zinc/18/10/62/708181062.db2.gz IHAYVYRCTUMVNG-YGRLFVJLSA-N 1 0 306.322 1.891 20 5 DDBDRO C[N@@H+]1C[C@@H]2CN(c3nc4sccn4c3[N+](=O)[O-])C[C@]2(C)C1 ZINC000896914695 708181544 /nfs/dbraw/zinc/18/15/44/708181544.db2.gz PCFPFGOGFUXMDI-RNCFNFMXSA-N 1 0 307.379 1.692 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)n1 ZINC000897221942 708259408 /nfs/dbraw/zinc/25/94/08/708259408.db2.gz QOMCJTZXKNQCEC-STQMWFEESA-N 1 0 306.366 1.334 20 5 DDBDRO O=[N+]([O-])c1cnc(NCC[N@H+]2CC[C@H](O)C2)c2ccccc21 ZINC000884568614 708330974 /nfs/dbraw/zinc/33/09/74/708330974.db2.gz PSBJDDQYGULHIL-NSHDSACASA-N 1 0 302.334 1.622 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H]1CS(=O)(=O)C[C@H]1C ZINC000886292155 708736662 /nfs/dbraw/zinc/73/66/62/708736662.db2.gz GAENHANJEQBEAL-MFKMUULPSA-N 1 0 312.391 1.734 20 5 DDBDRO O=C(CC[N@@H+]1C[C@@H]2[C@H](O)CC[C@@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000886573897 708779270 /nfs/dbraw/zinc/77/92/70/708779270.db2.gz BOZAOEYZSONRPI-TYNCELHUSA-N 1 0 319.361 1.626 20 5 DDBDRO COc1cc(C(=O)N2CC([NH+]3CCCC3)C2)c([N+](=O)[O-])cc1F ZINC000898601602 708806014 /nfs/dbraw/zinc/80/60/14/708806014.db2.gz PSWZHQXVWIYFCZ-UHFFFAOYSA-N 1 0 323.324 1.663 20 5 DDBDRO COc1c(C(=O)N2CC([NH+]3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000898605668 708807960 /nfs/dbraw/zinc/80/79/60/708807960.db2.gz ZKDYPASNDONGTD-UHFFFAOYSA-N 1 0 305.334 1.524 20 5 DDBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(O)(COCCO)CC1 ZINC000886736544 708829030 /nfs/dbraw/zinc/82/90/30/708829030.db2.gz CUNKMTVDEKWMKI-ZDUSSCGKSA-N 1 0 324.377 1.492 20 5 DDBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCN1CCNC1=O ZINC000886742531 708832127 /nfs/dbraw/zinc/83/21/27/708832127.db2.gz CFRNAFMQBWXBHF-LBPRGKRZSA-N 1 0 306.366 1.531 20 5 DDBDRO [NH3+][C@H]1CCO[C@H](C2CCN(Cc3cccnc3[N+](=O)[O-])CC2)C1 ZINC000886839508 708859044 /nfs/dbraw/zinc/85/90/44/708859044.db2.gz GGXUSUGGHICDIE-GJZGRUSLSA-N 1 0 320.393 1.708 20 5 DDBDRO O=[N+]([O-])c1ncccc1CN1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000886841463 708859458 /nfs/dbraw/zinc/85/94/58/708859458.db2.gz LZMBQHXOGYGZLQ-OAHLLOKOSA-N 1 0 320.393 1.580 20 5 DDBDRO C[N@@H+]1C[C@@H]2CN(C(=O)COc3ccc([N+](=O)[O-])cc3)C[C@]2(C)C1 ZINC000887939251 709173381 /nfs/dbraw/zinc/17/33/81/709173381.db2.gz WZOMCXPTYJHTOC-WBMJQRKESA-N 1 0 319.361 1.384 20 5 DDBDRO C[N@@H+]1CCC[C@@](O)(CC(=O)NCc2ccccc2[N+](=O)[O-])C1 ZINC000900240660 709500531 /nfs/dbraw/zinc/50/05/31/709500531.db2.gz MGBILCLEXXSNKS-OAHLLOKOSA-N 1 0 307.350 1.058 20 5 DDBDRO O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912920374 713124629 /nfs/dbraw/zinc/12/46/29/713124629.db2.gz UQZRHTDTZWTZEK-LBPRGKRZSA-N 1 0 314.345 1.996 20 5 DDBDRO C[N@@H+]1CCC[C@](O)(CC(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000900857849 709793854 /nfs/dbraw/zinc/79/38/54/709793854.db2.gz LUHKMQNRORLVFF-INIZCTEOSA-N 1 0 321.377 1.100 20 5 DDBDRO C[N@@H+]1CCC[C@@](O)(CC(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000901233410 709978404 /nfs/dbraw/zinc/97/84/04/709978404.db2.gz LENXNTUYDMSWDY-MRXNPFEDSA-N 1 0 321.377 1.100 20 5 DDBDRO COc1c(O)ccc(CN2CC[C@H](C[NH+](C)C)C2)c1[N+](=O)[O-] ZINC000892032921 710356953 /nfs/dbraw/zinc/35/69/53/710356953.db2.gz AKDXGQFOOGGKOT-LLVKDONJSA-N 1 0 309.366 1.693 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@]1(C)C[NH+]2CCC1CC2 ZINC000892794940 710501027 /nfs/dbraw/zinc/50/10/27/710501027.db2.gz YUGHOPAPOCPHHI-OAHLLOKOSA-N 1 0 321.381 1.090 20 5 DDBDRO COc1ccc(C(=O)N[C@@]2(C)C[NH+]3CCC2CC3)cc1[N+](=O)[O-] ZINC000892800263 710502361 /nfs/dbraw/zinc/50/23/61/710502361.db2.gz NMGFYFPQXJRYDL-INIZCTEOSA-N 1 0 319.361 1.818 20 5 DDBDRO C[N@@H+]1C[C@@]2(C)CN(C(=O)Cc3cccc([N+](=O)[O-])c3)C[C@@]2(C)C1 ZINC000913281852 713190627 /nfs/dbraw/zinc/19/06/27/713190627.db2.gz CTYONBHRGVJKLS-CALCHBBNSA-N 1 0 317.389 1.938 20 5 DDBDRO C[C@@H]1CC[N@H+](CCNC(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000893875807 710870020 /nfs/dbraw/zinc/87/00/20/710870020.db2.gz GACKTYCAQNEGBL-CYBMUJFWSA-N 1 0 320.393 1.778 20 5 DDBDRO Cc1ccc(NC(=O)[C@@H]2[NH2+]CC23CCOCC3)cc1[N+](=O)[O-] ZINC000911906400 711062667 /nfs/dbraw/zinc/06/26/67/711062667.db2.gz DJDMBGNMDBTRES-ZDUSSCGKSA-N 1 0 305.334 1.610 20 5 DDBDRO C[N@@H+]1CCN(c2ncc([N+](=O)[O-])c3ccccc32)C[C@@H]1CO ZINC000894880821 711306944 /nfs/dbraw/zinc/30/69/44/711306944.db2.gz GTIDVIWOVZCNSY-LLVKDONJSA-N 1 0 302.334 1.256 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC[C@@]12CC[NH2+]C2 ZINC000903862742 711307323 /nfs/dbraw/zinc/30/73/23/711307323.db2.gz DMTAZIMVOWBZPL-INIZCTEOSA-N 1 0 318.377 1.670 20 5 DDBDRO COc1c(O)ccc(C[N@@H+]2CCC[C@H](CO)[C@@H]2C)c1[N+](=O)[O-] ZINC000894940590 711330060 /nfs/dbraw/zinc/33/00/60/711330060.db2.gz UHQNOCLNVBUOGF-CMPLNLGQSA-N 1 0 310.350 1.902 20 5 DDBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H](C)[C@H]1C[N@H+](C)CCN1C ZINC000895245594 711463622 /nfs/dbraw/zinc/46/36/22/711463622.db2.gz GOMIIKIAYJDLQL-CMPLNLGQSA-N 1 0 310.402 1.166 20 5 DDBDRO C[C@@H](Nc1ncc(Cl)cc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCN1C ZINC000895247510 711464667 /nfs/dbraw/zinc/46/46/67/711464667.db2.gz VFFJIHKBBUNXPW-BXKDBHETSA-N 1 0 313.789 1.689 20 5 DDBDRO C[C@@H](Nc1ncc([N+](=O)[O-])cc1Cl)[C@H]1C[N@H+](C)CCN1C ZINC000895248476 711464965 /nfs/dbraw/zinc/46/49/65/711464965.db2.gz LYUYYPNWFLNRFB-BXKDBHETSA-N 1 0 313.789 1.689 20 5 DDBDRO C[NH+](C)CCNC(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC000905051597 711921065 /nfs/dbraw/zinc/92/10/65/711921065.db2.gz XFWKKLLMXCYTAD-UHFFFAOYSA-N 1 0 309.322 1.048 20 5 DDBDRO C[C@H]([NH2+]CC[N+](=O)[O-])C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000905409260 712030678 /nfs/dbraw/zinc/03/06/78/712030678.db2.gz ONISQGKGRITKJJ-NSHDSACASA-N 1 0 301.387 1.888 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CC[C@H]2CCCO2)c1 ZINC000905479713 712049374 /nfs/dbraw/zinc/04/93/74/712049374.db2.gz ZEJACZAVQDSPPY-UONOGXRCSA-N 1 0 310.350 1.493 20 5 DDBDRO C[C@@H]1[C@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCN1C ZINC000905541424 712071333 /nfs/dbraw/zinc/07/13/33/712071333.db2.gz OTYZJJSNZBDLMG-JHJVBQTASA-N 1 0 309.366 1.017 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]Cc2ccc(CCO)cc2)cc1 ZINC000905696541 712122340 /nfs/dbraw/zinc/12/23/40/712122340.db2.gz OYSWYTWKKZSLEM-QGZVFWFLSA-N 1 0 316.357 1.953 20 5 DDBDRO CC1(C)C[C@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CO1 ZINC000905698015 712122773 /nfs/dbraw/zinc/12/27/73/712122773.db2.gz DPMQNCILNMCITB-AAEUAGOBSA-N 1 0 310.350 1.492 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3C[N@@H+](C)C[C@@H]32)c1C ZINC000908347227 712748087 /nfs/dbraw/zinc/74/80/87/712748087.db2.gz KRPHHXCWHVBQRK-OCCSQVGLSA-N 1 0 303.362 1.988 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000917064384 713480573 /nfs/dbraw/zinc/48/05/73/713480573.db2.gz RCDNBZUTEYOIJW-LBPRGKRZSA-N 1 0 309.370 1.384 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)COC1CC[NH+](C)CC1 ZINC000929134647 713553396 /nfs/dbraw/zinc/55/33/96/713553396.db2.gz ZPNJLDWZASMYHH-UHFFFAOYSA-N 1 0 307.350 1.953 20 5 DDBDRO C[N@@H+]1CCCN(C(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC000929228689 713571559 /nfs/dbraw/zinc/57/15/59/713571559.db2.gz RBOJWTAZQKGVQU-CABCVRRESA-N 1 0 303.362 1.862 20 5 DDBDRO Cc1nn(C)c(C(=O)OCC[C@H]2CCCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000920659657 713685849 /nfs/dbraw/zinc/68/58/49/713685849.db2.gz CQTFBBCTAGIVPU-LLVKDONJSA-N 1 0 310.354 1.668 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000930544328 713862829 /nfs/dbraw/zinc/86/28/29/713862829.db2.gz FZPHLQURULSURK-VXGBXAGGSA-N 1 0 323.397 1.336 20 5 DDBDRO COc1ccc(NC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000930770388 713915929 /nfs/dbraw/zinc/91/59/29/713915929.db2.gz WOJZUFSSDSCPJA-MWLCHTKSSA-N 1 0 308.338 1.818 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@H]([NH+](C)C)[C@@H]1C ZINC000931047392 713990413 /nfs/dbraw/zinc/99/04/13/713990413.db2.gz YDAQYNDWTUICPS-WFASDCNBSA-N 1 0 320.393 1.866 20 5 DDBDRO COC1(OC)CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000931641301 714147544 /nfs/dbraw/zinc/14/75/44/714147544.db2.gz XQAVKUUQJPCFJT-CQSZACIVSA-N 1 0 310.350 1.193 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000931724846 714169429 /nfs/dbraw/zinc/16/94/29/714169429.db2.gz INLYLGKBINSJLK-QWHCGFSZSA-N 1 0 318.377 1.702 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC[C@]2(CC[NH2+]C2)C1 ZINC000923331245 714317575 /nfs/dbraw/zinc/31/75/75/714317575.db2.gz FFFHOWRLNVERBK-CJNGLKHVSA-N 1 0 321.377 1.020 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)CN1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000923364385 714328807 /nfs/dbraw/zinc/32/88/07/714328807.db2.gz NDLUESWARLKBGO-HZSPNIEDSA-N 1 0 321.377 1.161 20 5 DDBDRO Cc1ccc(C[N@@H+]2C[C@@H]3CCC[C@]3(C(N)=O)C2)cc1[N+](=O)[O-] ZINC000933750732 714663460 /nfs/dbraw/zinc/66/34/60/714663460.db2.gz ZOWCWJVODRSNLO-BBRMVZONSA-N 1 0 303.362 1.991 20 5 DDBDRO Cc1nc(N2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)ccc1[N+](=O)[O-] ZINC001164923256 721848971 /nfs/dbraw/zinc/84/89/71/721848971.db2.gz UPJXCWCOVAEYTF-GJZGRUSLSA-N 1 0 319.409 1.513 20 5 DDBDRO Cn1cc(N2C(C)(C)CC([NH3+])CC2(C)C)cc([N+](=O)[O-])c1=O ZINC001167624202 734847911 /nfs/dbraw/zinc/84/79/11/734847911.db2.gz BLVFSQBXBLZAIE-UHFFFAOYSA-N 1 0 308.382 1.778 20 5 DDBDRO Cn1c(-c2c[nH]c([N+](=O)[O-])c2)nnc1N1CC[NH+](C2CC2)CC1 ZINC001121464097 782518404 /nfs/dbraw/zinc/51/84/04/782518404.db2.gz JXZRLGZRWSBINC-UHFFFAOYSA-N 1 0 317.353 1.003 20 5 DDBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)c1ccn[nH]1 ZINC001019999381 736961763 /nfs/dbraw/zinc/96/17/63/736961763.db2.gz MWYNKTJPRVEDNU-HAQNSBGRSA-N 1 0 315.333 1.369 20 5 DDBDRO Cc1cccnc1C[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001002782746 743424035 /nfs/dbraw/zinc/42/40/35/743424035.db2.gz PAAPIOBVVKOBNI-UKRRQHHQSA-N 1 0 318.377 1.136 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)n1 ZINC001187765915 744607663 /nfs/dbraw/zinc/60/76/63/744607663.db2.gz XFFHUQSBMHDZPD-BMIGLBTASA-N 1 0 320.349 1.164 20 5 DDBDRO [NH3+]CCc1nc(-c2ccccc2)nn1-c1cnc([N+](=O)[O-])cn1 ZINC001168714015 747340476 /nfs/dbraw/zinc/34/04/76/747340476.db2.gz BRLHNVPPWQYQJV-UHFFFAOYSA-N 1 0 311.305 1.134 20 5 DDBDRO O=[N+]([O-])c1cc(F)c(CN2C[C@@H](CO)[C@H](CCO)C2)c(F)c1 ZINC001198755111 747599998 /nfs/dbraw/zinc/59/99/98/747599998.db2.gz XKVFQBZOMOBVQL-ZJUUUORDSA-N 1 0 316.304 1.296 20 5 DDBDRO CN1CCN(C(=[NH2+])Nc2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC001168735718 748430308 /nfs/dbraw/zinc/43/03/08/748430308.db2.gz FHNSDTSGRXVIDV-UHFFFAOYSA-N 1 0 314.349 1.737 20 5 DDBDRO Cc1cc(NC/C=C/CNC(=O)CC[NH+](C)C)ncc1[N+](=O)[O-] ZINC001107489820 750045851 /nfs/dbraw/zinc/04/58/51/750045851.db2.gz KCZIKXPPWRSZDR-SNAWJCMRSA-N 1 0 321.381 1.334 20 5 DDBDRO COc1cc([N+](=O)[O-])c(-n2cc3c(n2)CC[C@@H]([NH3+])C3)cc1F ZINC001168819293 762070120 /nfs/dbraw/zinc/07/01/20/762070120.db2.gz DGKODVQYVPWLCD-SECBINFHSA-N 1 0 306.297 1.744 20 5 DDBDRO O=C(c1ccccn1)N1CC[C@@H]([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168995771 762169057 /nfs/dbraw/zinc/16/90/57/762169057.db2.gz SVTLTVUOCNTVNS-BFHYXJOUSA-N 1 0 318.377 1.331 20 5 DDBDRO CC(C)(C)[C@H](CN1CCOCC1)[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169001479 762172840 /nfs/dbraw/zinc/17/28/40/762172840.db2.gz GISKQXUWQRYJER-ILXRZTDVSA-N 1 0 313.442 1.768 20 5 DDBDRO COC(=O)Cc1cccc(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001169003098 762174103 /nfs/dbraw/zinc/17/41/03/762174103.db2.gz NFPHNDCMBXWTMD-GJZGRUSLSA-N 1 0 306.362 1.937 20 5 DDBDRO CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169006942 762174713 /nfs/dbraw/zinc/17/47/13/762174713.db2.gz KKRMMQRDUFVXAD-QWHCGFSZSA-N 1 0 313.398 1.985 20 5 DDBDRO O=C(N1CCC[C@H]([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1)C(F)(F)F ZINC001168986899 762179552 /nfs/dbraw/zinc/17/95/52/762179552.db2.gz FYENBXLQQHWENO-VWYCJHECSA-N 1 0 323.315 1.575 20 5 DDBDRO O=C(NC1CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1)C(F)(F)F ZINC001169036037 762191782 /nfs/dbraw/zinc/19/17/82/762191782.db2.gz MTZWSWTYPZLGGP-MWLCHTKSSA-N 1 0 323.315 1.575 20 5 DDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2CCCN(c3ncccn3)CC2)C1 ZINC001169036291 762191891 /nfs/dbraw/zinc/19/18/91/762191891.db2.gz NGALCJUFXDFBQD-UONOGXRCSA-N 1 0 305.382 1.434 20 5 DDBDRO [NH3+][C@@H](CO)Cc1cncn1-c1cc(Cl)ccc1/C=C/[N+](=O)[O-] ZINC001169074252 762221369 /nfs/dbraw/zinc/22/13/69/762221369.db2.gz HRIIAPAFLFDRCX-AAOUONPWSA-N 1 0 322.752 1.635 20 5 DDBDRO O=C(NCC1CC[NH+](C/C=C/Cl)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001001399239 762825519 /nfs/dbraw/zinc/82/55/19/762825519.db2.gz KIFRCXRWFWYWDP-IYODYBDTSA-N 1 0 301.774 1.232 20 5 DDBDRO [NH3+]CCc1ccn(-c2cc3ncnc(Cl)c3cc2[N+](=O)[O-])n1 ZINC001156898284 764049113 /nfs/dbraw/zinc/04/91/13/764049113.db2.gz JFDPARADCRKDTJ-UHFFFAOYSA-N 1 0 318.724 1.878 20 5 DDBDRO CCOC(=O)c1cccc([N+](=O)[O-])c1N[C@@H](C)[C@@H]1C[NH2+]CCO1 ZINC001170570879 768192346 /nfs/dbraw/zinc/19/23/46/768192346.db2.gz LSHKMUOLIYAVPI-GWCFXTLKSA-N 1 0 323.349 1.560 20 5 DDBDRO CCn1c(C[N+](=O)[O-])nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC001121698238 782631663 /nfs/dbraw/zinc/63/16/63/782631663.db2.gz DOXMBIXNTSFHED-LBPRGKRZSA-N 1 0 310.402 1.243 20 5 DDBDRO O=[N+]([O-])c1cnc(N[C@@H]2C[NH2+]C[C@@H]2CO)c(C(F)(F)F)c1 ZINC001170780692 771247128 /nfs/dbraw/zinc/24/71/28/771247128.db2.gz OBFJVZOWJKZBCD-HZGVNTEJSA-N 1 0 306.244 1.001 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(OC(C)C)cc1N[C@@H]1C[NH2+]C[C@@H]1CO ZINC001170790468 771318239 /nfs/dbraw/zinc/31/82/39/771318239.db2.gz XKAHVOPEGZXZTD-DGCLKSJQSA-N 1 0 309.366 1.683 20 5 DDBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ncccc1F ZINC001135723186 771673574 /nfs/dbraw/zinc/67/35/74/771673574.db2.gz IWHWNZYDFAIBNC-UHFFFAOYSA-N 1 0 318.308 1.649 20 5 DDBDRO CC[C@]([NH3+])(CO)Nc1cnc(Oc2ccc([N+](=O)[O-])cc2)nc1 ZINC001170866568 771783380 /nfs/dbraw/zinc/78/33/80/771783380.db2.gz YWGWRMYFYGTKPN-CQSZACIVSA-N 1 0 319.321 1.646 20 5 DDBDRO CCOC(=O)CN(CC[NH3+])c1ccc2cnccc2c1[N+](=O)[O-] ZINC001170995650 772045831 /nfs/dbraw/zinc/04/58/31/772045831.db2.gz RYACTPVFFFPCJC-UHFFFAOYSA-N 1 0 318.333 1.471 20 5 DDBDRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001147155434 773054218 /nfs/dbraw/zinc/05/42/18/773054218.db2.gz ZPDKEMKPVFGQKL-ZETCQYMHSA-N 1 0 315.761 1.574 20 5 DDBDRO O=C(NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1cc(Cl)no1 ZINC001148648287 773548667 /nfs/dbraw/zinc/54/86/67/773548667.db2.gz FUPJQZKPFWBOSP-UHFFFAOYSA-N 1 0 324.724 1.756 20 5 DDBDRO CCC[N@@H+]1CC[C@H](NC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)C1 ZINC001148757056 773594382 /nfs/dbraw/zinc/59/43/82/773594382.db2.gz DHJNYZBPHUSARY-ZETCQYMHSA-N 1 0 301.734 1.185 20 5 DDBDRO [NH3+]C[C@@H]1COc2ccccc2N1c1ncnc(Cl)c1[N+](=O)[O-] ZINC001171390207 774345230 /nfs/dbraw/zinc/34/52/30/774345230.db2.gz UHZMRFNTNJLZRU-MRVPVSSYSA-N 1 0 321.724 1.896 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(NCCNC(=O)C2CC[NH+](C)CC2)n1 ZINC001093701449 775021158 /nfs/dbraw/zinc/02/11/58/775021158.db2.gz VAPNQRLIFZIETR-UHFFFAOYSA-N 1 0 321.381 1.168 20 5 DDBDRO CCC[N@H+](C)CC(=O)NCCCNc1ccccc1[N+](=O)[O-] ZINC001094517188 775973781 /nfs/dbraw/zinc/97/37/81/775973781.db2.gz FCGZYTSOBONBNQ-UHFFFAOYSA-N 1 0 308.382 1.855 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CCOC[C@H](O)C1)CC2 ZINC001172903899 776917249 /nfs/dbraw/zinc/91/72/49/776917249.db2.gz JKBXUHKTIIBVFR-GDBMZVCRSA-N 1 0 306.362 1.535 20 5 DDBDRO COC(=O)C[C@@H]1CN([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC001173235766 777064834 /nfs/dbraw/zinc/06/48/34/777064834.db2.gz ZEAQOWPFZVDGRP-SWLSCSKDSA-N 1 0 322.361 1.790 20 5 DDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1CCN(CCO)CC1 ZINC001173235757 777065081 /nfs/dbraw/zinc/06/50/81/777065081.db2.gz UVBFHNMNBGMZPB-CYBMUJFWSA-N 1 0 307.394 1.572 20 5 DDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCCc1c[nH][nH]c1=O ZINC001173214233 777068312 /nfs/dbraw/zinc/06/83/12/777068312.db2.gz NRJILVNRLSXEAK-DGCLKSJQSA-N 1 0 304.350 1.627 20 5 DDBDRO C[C@H]([NH2+]C[C@H](O)C[C@@]1(O)CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC001176036341 778008897 /nfs/dbraw/zinc/00/88/97/778008897.db2.gz JZVXUODQWUAAJZ-GLQYFDAESA-N 1 0 310.350 1.148 20 5 DDBDRO CC[N@H+](C)[C@H]1CCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001177044222 778406409 /nfs/dbraw/zinc/40/64/09/778406409.db2.gz PYRMDUIGBRRLBD-WFASDCNBSA-N 1 0 320.393 1.948 20 5 DDBDRO Cc1conc1C[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001178463917 779061104 /nfs/dbraw/zinc/06/11/04/779061104.db2.gz NDNPEFQNIUMMMS-TZMCWYRMSA-N 1 0 324.381 1.414 20 5 DDBDRO COC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001117341059 780727442 /nfs/dbraw/zinc/72/74/42/780727442.db2.gz SMFVNOUKEFSWQF-NWDGAFQWSA-N 1 0 323.305 1.934 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1[C@H]2CCC[NH2+][C@@H]2C1(C)C ZINC001119304676 781399510 /nfs/dbraw/zinc/39/95/10/781399510.db2.gz RYJIFXHQDNICGI-FPMFFAJLSA-N 1 0 318.377 1.805 20 5 DDBDRO CCc1nc(CNC2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cs1 ZINC001269411625 841617951 /nfs/dbraw/zinc/61/79/51/841617951.db2.gz NUBYUVUJGSHLLR-GHMZBOCLSA-N 1 0 324.406 1.109 20 5 DDBDRO C[C@@H](CN1CC[NH2+]CC1)Nc1ncnc2ccc([N+](=O)[O-])cc21 ZINC001154748538 861421449 /nfs/dbraw/zinc/42/14/49/861421449.db2.gz CSRCPTOCZIBJDT-NSHDSACASA-N 1 0 316.365 1.244 20 5 DDBDRO COC(=O)[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001326572260 861453959 /nfs/dbraw/zinc/45/39/59/861453959.db2.gz OEGRPIJZABAIEL-MCIONIFRSA-N 1 0 308.334 1.560 20 5 DDBDRO CSc1nc(Cl)c([N+](=O)[O-])c(-n2cnc(C[NH3+])c2)n1 ZINC001154905550 861557216 /nfs/dbraw/zinc/55/72/16/861557216.db2.gz KQWTXDSRFVAEGI-UHFFFAOYSA-N 1 0 300.731 1.405 20 5 DDBDRO CC(C)Oc1nc(N2CCOC[C@@H]2C[NH+](C)C)ccc1[N+](=O)[O-] ZINC001154983360 861620946 /nfs/dbraw/zinc/62/09/46/861620946.db2.gz AKQUDNBUZUQKAZ-LBPRGKRZSA-N 1 0 324.381 1.544 20 5 DDBDRO COc1nc(C)c([N+](=O)[O-])c(NC[C@H]2CCC[NH2+]C[C@@H]2C)n1 ZINC001155026014 861655913 /nfs/dbraw/zinc/65/59/13/861655913.db2.gz RMUDOASUTPKFPH-GXSJLCMTSA-N 1 0 309.370 1.749 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H]2CCC[NH2+]C[C@@H]2C)n1 ZINC001155030741 861660800 /nfs/dbraw/zinc/66/08/00/861660800.db2.gz RLXKRUKRAXQXGC-QWRGUYRKSA-N 1 0 322.365 1.824 20 5 DDBDRO O=[N+]([O-])c1cnc(NC[C@]2(F)CCCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001155115255 861748566 /nfs/dbraw/zinc/74/85/66/861748566.db2.gz NDQJHGCVKJHIPP-LBPRGKRZSA-N 1 0 313.289 1.792 20 5 DDBDRO [NH3+]Cc1ccnn1-c1cc2ncnc(Cl)c2cc1[N+](=O)[O-] ZINC001155125034 861757530 /nfs/dbraw/zinc/75/75/30/861757530.db2.gz KBUPTAFAOVRTAW-UHFFFAOYSA-N 1 0 304.697 1.836 20 5 DDBDRO COC(=O)[C@@H](Nc1ncc([N+](=O)[O-])cc1Cl)C(C)(C)[NH3+] ZINC001155368223 862000780 /nfs/dbraw/zinc/00/07/80/862000780.db2.gz CSRQRJZAMFIFRD-MRVPVSSYSA-N 1 0 302.718 1.334 20 5 DDBDRO CCN(CC[NH2+]Cc1cc(C2CC2)no1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001273376812 849740450 /nfs/dbraw/zinc/74/04/50/849740450.db2.gz ZHPXULLVXZDMHY-TZMCWYRMSA-N 1 0 322.365 1.155 20 5 DDBDRO O=[N+]([O-])c1c[nH]c2ccc(N[C@H]3COCCC34C[NH2+]C4)nc21 ZINC001155471139 862126356 /nfs/dbraw/zinc/12/63/56/862126356.db2.gz ZMZDFNGIMBDLQL-NSHDSACASA-N 1 0 303.322 1.262 20 5 DDBDRO Cc1ncc([N+](=O)[O-])c(NC[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)n1 ZINC001155597074 862274386 /nfs/dbraw/zinc/27/43/86/862274386.db2.gz LAWPVQYABHKSAP-SMDDNHRTSA-N 1 0 307.354 1.264 20 5 DDBDRO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC001327673760 862374085 /nfs/dbraw/zinc/37/40/85/862374085.db2.gz MHOYFYNWNVZOBW-UONOGXRCSA-N 1 0 320.393 1.996 20 5 DDBDRO Cc1cc(N(C)CCCNC(=O)CC[NH+](C)C)ccc1[N+](=O)[O-] ZINC001095732465 855186365 /nfs/dbraw/zinc/18/63/65/855186365.db2.gz VCNJMHQIBDHPLH-UHFFFAOYSA-N 1 0 322.409 1.797 20 5 DDBDRO O=C(Cc1ccc[nH]1)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001151775099 862961386 /nfs/dbraw/zinc/96/13/86/862961386.db2.gz MORWHIRFRMADNO-UHFFFAOYSA-N 1 0 302.334 1.371 20 5 DDBDRO C[C@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC[C@@H]1C[NH3+] ZINC001122209996 858713963 /nfs/dbraw/zinc/71/39/63/858713963.db2.gz MNVXSTDVTDEMJN-GXTWGEPZSA-N 1 0 305.378 1.971 20 5 DDBDRO Cc1c(CC(=O)N[C@H]2C[C@H]([NH3+])C23CCC3)cccc1[N+](=O)[O-] ZINC001122342501 858766231 /nfs/dbraw/zinc/76/62/31/858766231.db2.gz XPOFHQJLSNFGSS-KBPBESRZSA-N 1 0 303.362 1.832 20 5 DDBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N[C@]12CCC[C@H]1C[NH2+]C2 ZINC001122433409 858810523 /nfs/dbraw/zinc/81/05/23/858810523.db2.gz XRHWIBZOXMUSPL-LRDDRELGSA-N 1 0 319.361 1.622 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCC[NH2+]CC1 ZINC001122587911 858899578 /nfs/dbraw/zinc/89/95/78/858899578.db2.gz SJQZUJIYKSCCJL-LBPRGKRZSA-N 1 0 307.350 1.480 20 5 DDBDRO C[C@@H]1C[C@H]2CC[C@H](C(=O)NCCn3cc([N+](=O)[O-])cn3)C[N@@H+]2C1 ZINC001123668796 859352079 /nfs/dbraw/zinc/35/20/79/859352079.db2.gz HIGHYNGCOLJXKA-FRRDWIJNSA-N 1 0 321.381 1.028 20 5 DDBDRO Cn1cnc(C(=O)NCCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001156557596 863144574 /nfs/dbraw/zinc/14/45/74/863144574.db2.gz JDDQSBVQGQTJPE-UHFFFAOYSA-N 1 0 317.349 1.238 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CCC(N3CC[C@H]([NH3+])C3)CC2)n1 ZINC001158262852 864526236 /nfs/dbraw/zinc/52/62/36/864526236.db2.gz WOZGIVDEMVHCJC-ZDUSSCGKSA-N 1 0 319.409 1.608 20 5 DDBDRO O=[N+]([O-])c1cnc(NCc2ncn3c2C[NH2+]CCC3)c(Cl)c1 ZINC001158356683 864600272 /nfs/dbraw/zinc/60/02/72/864600272.db2.gz YVBUULIUQQJMQE-UHFFFAOYSA-N 1 0 322.756 1.945 20 5 DDBDRO CC[N@@H+]1CCN(c2ncc([N+](=O)[O-])cc2[N+](=O)[O-])C(C)(C)C1 ZINC001158562945 864727661 /nfs/dbraw/zinc/72/76/61/864727661.db2.gz OOAQXOPWFPXHKR-UHFFFAOYSA-N 1 0 309.326 1.819 20 5 DDBDRO COc1nc(N2CCCc3ccc(C[NH3+])nc32)ccc1[N+](=O)[O-] ZINC001158650136 864786823 /nfs/dbraw/zinc/78/68/23/864786823.db2.gz WDKBNXSPAPWKKI-UHFFFAOYSA-N 1 0 315.333 1.936 20 5 DDBDRO CCOc1cc(NC(=O)N2CC([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC001332424933 865832403 /nfs/dbraw/zinc/83/24/03/865832403.db2.gz KWDWFYZJWXBGOD-UHFFFAOYSA-N 1 0 308.338 1.771 20 5 DDBDRO O=[N+]([O-])c1cnc(NC2(C(F)(F)F)CC2)nc1C1C[NH2+]C1 ZINC001160828961 866137512 /nfs/dbraw/zinc/13/75/12/866137512.db2.gz DIDBPAWIRBBMND-UHFFFAOYSA-N 1 0 303.244 1.578 20 5 DDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC[N@H+](C)C1CC1 ZINC001320357214 866668564 /nfs/dbraw/zinc/66/85/64/866668564.db2.gz JTZDRXITFCQIBI-UHFFFAOYSA-N 1 0 306.366 1.803 20 5 DDBDRO COc1nc(NC2CCN([C@@H]3CC[NH2+]C3)CC2)ccc1[N+](=O)[O-] ZINC001161463626 866683240 /nfs/dbraw/zinc/68/32/40/866683240.db2.gz FPJVSKLHXIKGRE-GFCCVEGCSA-N 1 0 321.381 1.237 20 5 DDBDRO CCC[N@H+](CC1CC1)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001323719641 866793925 /nfs/dbraw/zinc/79/39/25/866793925.db2.gz BVAWHCJUZUJMIO-HUUCEWRRSA-N 1 0 309.410 1.765 20 5 DDBDRO CC1(C)C[NH2+]C[C@H](CNc2cc([N+](=O)[O-])cc(Cl)[n+]2[O-])O1 ZINC001161956444 867141673 /nfs/dbraw/zinc/14/16/73/867141673.db2.gz PSTSVZWWFOOWKK-SECBINFHSA-N 1 0 316.745 1.061 20 5 DDBDRO C[C@H]1C[NH2+]CCC[C@H]1CNc1ccc([N+](=O)[O-])c2c1CNC2=O ZINC001162469287 867555849 /nfs/dbraw/zinc/55/58/49/867555849.db2.gz AKPJXCLBINFKCB-QWRGUYRKSA-N 1 0 318.377 1.886 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])ncc1NC[C@H]1CCC[NH2+]C[C@@H]1C ZINC001162470024 867556506 /nfs/dbraw/zinc/55/65/06/867556506.db2.gz HEDUNIDUFJQIOM-WDEREUQCSA-N 1 0 322.365 1.824 20 5 DDBDRO COC[C@](C)([NH3+])CNc1c2cc(F)ccc2ncc1[N+](=O)[O-] ZINC001162536558 867617529 /nfs/dbraw/zinc/61/75/29/867617529.db2.gz ITRFCCRBKLDLHI-CQSZACIVSA-N 1 0 308.313 1.480 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC001334668962 867756056 /nfs/dbraw/zinc/75/60/56/867756056.db2.gz LTBGHSLRDHYZIS-ZBEGNZNMSA-N 1 0 318.377 1.614 20 5 DDBDRO O=[N+]([O-])c1cc(N[C@@H]2COCCC23C[NH2+]C3)cn2ccnc12 ZINC001163074447 868055990 /nfs/dbraw/zinc/05/59/90/868055990.db2.gz WRBSURANVVPORE-GFCCVEGCSA-N 1 0 303.322 1.033 20 5 DDBDRO Cc1nc(N2CCC(C3=CC=C(N)C[NH2+]3)CC2)ncc1[N+](=O)[O-] ZINC001163136562 868147281 /nfs/dbraw/zinc/14/72/81/868147281.db2.gz YRMKRXRCPWTQLQ-UHFFFAOYSA-N 1 0 316.365 1.239 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(NC[C@@H]2OC[C@H]3C[NH2+]CC[C@H]32)n1 ZINC001163159603 868171944 /nfs/dbraw/zinc/17/19/44/868171944.db2.gz KCVKUKGVZLUORX-FOGDFJRCSA-N 1 0 308.338 1.035 20 5 DDBDRO Cc1cccc(C[NH2+]CCCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC001322504967 868210160 /nfs/dbraw/zinc/21/01/60/868210160.db2.gz HALAKSHRYATWJU-HUUCEWRRSA-N 1 0 305.378 1.598 20 5 DDBDRO O=C1C[C@@H]2[NH2+]CC[C@@]2(Nc2nccc3c2cccc3[N+](=O)[O-])N1 ZINC001163236015 868241548 /nfs/dbraw/zinc/24/15/48/868241548.db2.gz DIYPEPWMVJSPLU-WFASDCNBSA-N 1 0 313.317 1.133 20 5 DDBDRO Cc1cncc([N+](=O)[O-])c1NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001322706011 868338867 /nfs/dbraw/zinc/33/88/67/868338867.db2.gz NNSIVIVCSRHPRN-CYBMUJFWSA-N 1 0 320.393 1.633 20 5 DDBDRO O=[N+]([O-])c1ccc(Cl)nc1N[C@@H]1CCO[C@]2(CC[NH2+]C2)C1 ZINC001163322303 868349050 /nfs/dbraw/zinc/34/90/50/868349050.db2.gz HWKRAVGJEQQWDI-NOZJJQNGSA-N 1 0 312.757 1.966 20 5 DDBDRO O=[N+]([O-])c1cc(N[C@@H]2CCO[C@@]3(CC[NH2+]C3)C2)cn2ccnc12 ZINC001163320884 868350103 /nfs/dbraw/zinc/35/01/03/868350103.db2.gz AIKHUCSLHYGIKK-ABAIWWIYSA-N 1 0 317.349 1.566 20 5 DDBDRO CC(=O)Nc1ccc(N[C@H]2C[NH2+][C@@H]3CCO[C@@H]32)cc1[N+](=O)[O-] ZINC001163343038 868374739 /nfs/dbraw/zinc/37/47/39/868374739.db2.gz QGSBLNOPUUZSCX-DYEKYZERSA-N 1 0 306.322 1.094 20 5 DDBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N[C@H]1C[NH+]2CCC1CC2 ZINC001336078526 868718558 /nfs/dbraw/zinc/71/85/58/868718558.db2.gz DNQFYFCMRBPJKN-ZDUSSCGKSA-N 1 0 319.361 1.574 20 5 DDBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@@H](C)CC[C@H]1C[NH3+] ZINC001164074319 868926891 /nfs/dbraw/zinc/92/68/91/868926891.db2.gz RZQFLTJDSNWFJC-QWRGUYRKSA-N 1 0 322.365 1.730 20 5 DDBDRO CN1CCCC[C@@H]1C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001336744332 869120602 /nfs/dbraw/zinc/12/06/02/869120602.db2.gz KFLSVZBFROZMPV-CYBMUJFWSA-N 1 0 320.393 1.997 20 5 DDBDRO CC[N@@H+]1CC[C@H](Oc2ccc(CC(=O)OC)cc2[N+](=O)[O-])C1 ZINC001226213567 882284334 /nfs/dbraw/zinc/28/43/34/882284334.db2.gz DVSAKKVLQWEQQP-LBPRGKRZSA-N 1 0 308.334 1.783 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@@H]2C[C@]2(C[NH+](C)C)C1 ZINC001165182177 869417223 /nfs/dbraw/zinc/41/72/23/869417223.db2.gz UNVJTKBAEFZMIQ-BONVTDFDSA-N 1 0 320.349 1.164 20 5 DDBDRO C[NH+](C)C[C@]12C[C@H]1CN(c1cc([N+](=O)[O-])c3cc[nH]c3n1)C2 ZINC001165185450 869419694 /nfs/dbraw/zinc/41/96/94/869419694.db2.gz SREFZMSGPQDWFQ-BONVTDFDSA-N 1 0 301.350 1.859 20 5 DDBDRO COc1nc(C)c([N+](=O)[O-])c(N2CCCCC23CC[NH2+]CC3)n1 ZINC001165334603 869524099 /nfs/dbraw/zinc/52/40/99/869524099.db2.gz IKIHZCOMPOWMTQ-UHFFFAOYSA-N 1 0 321.381 1.814 20 5 DDBDRO COC(=O)[C@H]1C[NH2+]CCN1c1ccc2cccc([N+](=O)[O-])c2n1 ZINC001165438139 869601405 /nfs/dbraw/zinc/60/14/05/869601405.db2.gz FBWMZHILADJLIS-GFCCVEGCSA-N 1 0 316.317 1.094 20 5 DDBDRO C[N@@H+]1C[C@@]23CN(c4ncc([N+](=O)[O-])cn4)C[C@]2(C1)CCCC3 ZINC001338199892 869864358 /nfs/dbraw/zinc/86/43/58/869864358.db2.gz IPUCJCWHRLTISR-GASCZTMLSA-N 1 0 303.366 1.697 20 5 DDBDRO COc1nc(-n2ccc([C@H]3CCC[NH2+]3)nc2=N)ccc1[N+](=O)[O-] ZINC001166700856 870168207 /nfs/dbraw/zinc/16/82/07/870168207.db2.gz QGWJKLOYJKPYNU-SECBINFHSA-N 1 0 316.321 1.088 20 5 DDBDRO COC(=O)c1cc(OC)c(O[C@@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC001226360565 882384854 /nfs/dbraw/zinc/38/48/54/882384854.db2.gz DBQZTJHOZNMJAR-LLVKDONJSA-N 1 0 324.333 1.863 20 5 DDBDRO C[C@@H]1C[NH2+]C[C@H]1CC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC001340266565 870996790 /nfs/dbraw/zinc/99/67/90/870996790.db2.gz UJMCVPLYOMUFBX-VXGBXAGGSA-N 1 0 321.381 1.200 20 5 DDBDRO CN(C)C(=O)[C@@H]1CCC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001308109351 871472668 /nfs/dbraw/zinc/47/26/68/871472668.db2.gz VMMLXNVERUDWHG-UKRRQHHQSA-N 1 0 321.377 1.428 20 5 DDBDRO COc1cc(C[NH2+]CCc2cc(C)n(C)n2)c([N+](=O)[O-])cc1O ZINC001308514038 871505745 /nfs/dbraw/zinc/50/57/45/871505745.db2.gz UFQJUDXQSMFTSX-UHFFFAOYSA-N 1 0 320.349 1.683 20 5 DDBDRO C[C@H](c1nnc(N2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)n1C)[N+](=O)[O-] ZINC001341358307 871620080 /nfs/dbraw/zinc/62/00/80/871620080.db2.gz FWPRVXHQVVBMAA-XQHKEYJVSA-N 1 0 322.413 1.319 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[NH+](C(C)(C)C)CC1 ZINC001317982290 871672259 /nfs/dbraw/zinc/67/22/59/871672259.db2.gz AXQOJTRJJHTNLV-UHFFFAOYSA-N 1 0 306.366 1.855 20 5 DDBDRO C[C@H](NC(=O)N[C@H]1Cc2cncn2C1)c1cccc([N+](=O)[O-])c1 ZINC001311608101 871709161 /nfs/dbraw/zinc/70/91/61/871709161.db2.gz ANIIUZNZDJNXDQ-JQWIXIFHSA-N 1 0 315.333 1.776 20 5 DDBDRO [NH3+]C[C@@]12CC[C@H]1CCN2C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC001341591162 871727183 /nfs/dbraw/zinc/72/71/83/871727183.db2.gz LVLBEHDZBYYRFH-BBRMVZONSA-N 1 0 303.362 1.867 20 5 DDBDRO CC1(C)CN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])C[C@@H]1[NH3+] ZINC001341711352 871789409 /nfs/dbraw/zinc/78/94/09/871789409.db2.gz IXCYCBOVCUSHEQ-ZDUSSCGKSA-N 1 0 309.341 1.862 20 5 DDBDRO [NH3+]C[C@@]12CC[C@H]1CCN2C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC001342260969 872107435 /nfs/dbraw/zinc/10/74/35/872107435.db2.gz YNHJMASNQCJKBW-LRDDRELGSA-N 1 0 319.361 1.704 20 5 DDBDRO [NH3+]C1(CNC(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC001342814223 872397616 /nfs/dbraw/zinc/39/76/16/872397616.db2.gz BJPCLAIRWHPSLE-UHFFFAOYSA-N 1 0 314.139 1.578 20 5 DDBDRO [NH3+][C@@H]1CC[C@H](CNC(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC001342845492 872409677 /nfs/dbraw/zinc/40/96/77/872409677.db2.gz ZSDTUBDIESPQMK-BTQDYEIMSA-N 1 0 303.362 1.942 20 5 DDBDRO O=C(NCC[NH+]1CC=CC1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC001319098548 872439638 /nfs/dbraw/zinc/43/96/38/872439638.db2.gz RADDQIGSJPWZDB-UHFFFAOYSA-N 1 0 300.318 1.678 20 5 DDBDRO COc1ccc(CC(=O)N2CC[C@@H]3CC[C@]32C[NH3+])cc1[N+](=O)[O-] ZINC001343127675 872511805 /nfs/dbraw/zinc/51/18/05/872511805.db2.gz ZQXXAOOWYQASSU-LRDDRELGSA-N 1 0 319.361 1.486 20 5 DDBDRO CCN(C(=O)CNc1ccccc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC001346451912 873758526 /nfs/dbraw/zinc/75/85/26/873758526.db2.gz RMKAPKWGOFKHBK-UHFFFAOYSA-N 1 0 306.366 1.607 20 5 DDBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1Nc1ccc2ncc([N+](=O)[O-])n2n1 ZINC001348031227 874339426 /nfs/dbraw/zinc/33/94/26/874339426.db2.gz IQROKTLJSHSKOU-GXSJLCMTSA-N 1 0 302.338 1.532 20 5 DDBDRO C[C@H](C[NH+](C)C)Oc1ccc2c(c1)oc1cc(=O)ccc-1[n+]2[O-] ZINC001227449068 883025933 /nfs/dbraw/zinc/02/59/33/883025933.db2.gz KMNNHIZXBJIQAL-LLVKDONJSA-N 1 0 314.341 1.860 20 5 DDBDRO CCO[C@@]1(C)C[C@H]1[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC001353377525 877286598 /nfs/dbraw/zinc/28/65/98/877286598.db2.gz PSDGUDYXIACXMN-YUELXQCFSA-N 1 0 310.350 1.492 20 5 DDBDRO C[C@H]1CCC[N@@H+]1CCNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC001355313203 878496072 /nfs/dbraw/zinc/49/60/72/878496072.db2.gz QILVMVUTVYXPOD-ZDUSSCGKSA-N 1 0 320.393 1.921 20 5 DDBDRO Cc1ccc([C@@H](C)NC(=O)[C@@H]2[C@@H]3CC[NH2+]C[C@@H]32)cc1[N+](=O)[O-] ZINC001357321736 879912186 /nfs/dbraw/zinc/91/21/86/879912186.db2.gz IVQDOVRVJVHFFJ-IKVITTDRSA-N 1 0 303.362 1.936 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCC[C@H]2CSCC[NH2+]2)c1 ZINC001357660048 880122641 /nfs/dbraw/zinc/12/26/41/880122641.db2.gz LNGDSFKPYJNWIY-NSHDSACASA-N 1 0 309.391 1.728 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)OCc1cnc2ccccc2c1 ZINC001223212898 880877122 /nfs/dbraw/zinc/87/71/22/880877122.db2.gz DZDHNGLFOSKOOX-OAHLLOKOSA-N 1 0 303.382 1.735 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)OCc1ccc2cnccc2c1 ZINC001223931252 881152480 /nfs/dbraw/zinc/15/24/80/881152480.db2.gz LUPKTNPIXWXOIH-MRXNPFEDSA-N 1 0 303.382 1.735 20 5 DDBDRO C[N@@H+]1CCC[C@H](Oc2n[nH]c(=O)c3cccc([N+](=O)[O-])c32)C1 ZINC001229367930 883948744 /nfs/dbraw/zinc/94/87/44/883948744.db2.gz VREIYJBGCJMSBG-VIFPVBQESA-N 1 0 304.306 1.717 20 5 DDBDRO CC(C)[N@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1cccnc1 ZINC001230763283 884847500 /nfs/dbraw/zinc/84/75/00/884847500.db2.gz WFAYKYLSQMONJC-HUUCEWRRSA-N 1 0 320.393 1.464 20 5 DDBDRO OC[C@@H]1C[N@H+](Cc2ccc3ccc4cccnc4c3n2)CC[C@@H]1O ZINC001232218317 886165673 /nfs/dbraw/zinc/16/56/73/886165673.db2.gz FUPHJKIPJQJFDN-RDJZCZTQSA-N 1 0 323.396 1.958 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc(F)cc1-c1ccno1 ZINC001233809374 887346232 /nfs/dbraw/zinc/34/62/32/887346232.db2.gz GQNGHDCJQVYOKU-GFCCVEGCSA-N 1 0 323.344 1.843 20 5 DDBDRO COc1c(F)c(F)ccc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001234202144 887741017 /nfs/dbraw/zinc/74/10/17/887741017.db2.gz CXBSULUBLIIXMV-SECBINFHSA-N 1 0 304.313 1.336 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccccc1-c1ccon1 ZINC001234633408 888159194 /nfs/dbraw/zinc/15/91/94/888159194.db2.gz BUNNXYBXLXJGKR-GFCCVEGCSA-N 1 0 305.354 1.704 20 5 DDBDRO COc1c(Cl)ccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)c1F ZINC001234955711 888274886 /nfs/dbraw/zinc/27/48/86/888274886.db2.gz DAMTXSJYMUTORM-SECBINFHSA-N 1 0 320.768 1.850 20 5 DDBDRO COc1ccc(C[C@H](C)N2CC[C@H]3[NH2+]CC[C@H]32)c([N+](=O)[O-])c1 ZINC001246637862 892757974 /nfs/dbraw/zinc/75/79/74/892757974.db2.gz LITTZHVDVQHUPI-NILFDRSVSA-N 1 0 305.378 1.971 20 5 DDBDRO N[C@@]12C[C@@H]1C[N@@H+](C1CCN(c3ccc([N+](=O)[O-])cc3)CC1)C2 ZINC001246870276 892960810 /nfs/dbraw/zinc/96/08/10/892960810.db2.gz OGZWMFNJWQTFMJ-MLGOLLRUSA-N 1 0 302.378 1.597 20 5 DDBDRO [NH3+][C@H](CO)Cc1nc(-c2ccc3ccc4cccnc4c3n2)no1 ZINC001249091898 893816430 /nfs/dbraw/zinc/81/64/30/893816430.db2.gz FLGMFPOCZKEHKB-LBPRGKRZSA-N 1 0 321.340 1.695 20 5 DDBDRO C[NH2+]C[C@H]1CCCCN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC001262041369 899910745 /nfs/dbraw/zinc/91/07/45/899910745.db2.gz WDYUPTRDAHNKRB-CYBMUJFWSA-N 1 0 321.377 1.964 20 5 DDBDRO Cc1cc(NC(=O)[C@@H]2C[N@H+]3CCN2C[C@@H]3C)cc([N+](=O)[O-])c1 ZINC001264010942 900871061 /nfs/dbraw/zinc/87/10/61/900871061.db2.gz QHRXEGHCDZKFKE-FZMZJTMJSA-N 1 0 304.350 1.230 20 5 DDBDRO CS[C@H]1CC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000451308208 231063665 /nfs/dbraw/zinc/06/36/65/231063665.db2.gz AFGFPSSGHFQTRT-OCCSQVGLSA-N 1 0 312.391 1.772 20 5 DDBDRO C[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCC[C@@H](C)C1 ZINC000452073355 231291992 /nfs/dbraw/zinc/29/19/92/231291992.db2.gz VGQGXJVKFKXXBG-COMQUAJESA-N 1 0 310.398 1.957 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCCSCC2)c1 ZINC000089984439 185274451 /nfs/dbraw/zinc/27/44/51/185274451.db2.gz CELYYVHIBGTSQA-CYBMUJFWSA-N 1 0 312.391 1.773 20 5 DDBDRO C[NH2+]CCNC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000237114929 290669930 /nfs/dbraw/zinc/66/99/30/290669930.db2.gz ULLUOFHAVRCHDI-UHFFFAOYSA-N 1 0 320.393 1.780 20 5 DDBDRO Cc1cc(N(C)CC(=O)N(C)C)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000272814625 210215632 /nfs/dbraw/zinc/21/56/32/210215632.db2.gz HPHKLEIDASZHRE-UHFFFAOYSA-N 1 0 302.334 1.976 20 5 DDBDRO C[N@H+](CCCCNC(=O)c1cc([N+](=O)[O-])cnc1N)C1CC1 ZINC000457175345 529883696 /nfs/dbraw/zinc/88/36/96/529883696.db2.gz XPSPDDIFBMQDTD-UHFFFAOYSA-N 1 0 307.354 1.176 20 5 DDBDRO C[NH2+]C[C@@H]1CCN(C(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)C1 ZINC000422803443 529992898 /nfs/dbraw/zinc/99/28/98/529992898.db2.gz FYUPJOKLNMGVGE-NSHDSACASA-N 1 0 307.350 1.593 20 5 DDBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCc1nnnn1C ZINC000615727262 362417555 /nfs/dbraw/zinc/41/75/55/362417555.db2.gz FSTTUWZZTBYBPD-FLIBITNWSA-N 1 0 302.338 1.354 20 5 DDBDRO CN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1CC([NH3+])C1 ZINC000420342266 530021108 /nfs/dbraw/zinc/02/11/08/530021108.db2.gz VTBUTQGEIWCMQR-UHFFFAOYSA-N 1 0 303.322 1.566 20 5 DDBDRO C[NH2+][C@@H]1CCCN(C(=O)NCc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000417175774 530043942 /nfs/dbraw/zinc/04/39/42/530043942.db2.gz JIEZHKGNYXQNBF-GFCCVEGCSA-N 1 0 322.365 1.497 20 5 DDBDRO C[N@@H+]1CCC[C@H]1CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000299526828 530063713 /nfs/dbraw/zinc/06/37/13/530063713.db2.gz CNVIWFLRLGHIKQ-NSHDSACASA-N 1 0 302.334 1.900 20 5 DDBDRO CO[C@H]1CCC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000181730113 199344511 /nfs/dbraw/zinc/34/45/11/199344511.db2.gz NNXLKUZEMWOHGU-STQMWFEESA-N 1 0 310.350 1.445 20 5 DDBDRO C[N@@H+]1CC[C@@](O)(CNc2ccc([N+](=O)[O-])c3cnccc23)C1 ZINC000358330241 299122496 /nfs/dbraw/zinc/12/24/96/299122496.db2.gz OWSNRVJOWXNIJJ-OAHLLOKOSA-N 1 0 302.334 1.622 20 5 DDBDRO C[NH+](C)CCN(Cc1ccsc1)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000458223305 232293442 /nfs/dbraw/zinc/29/34/42/232293442.db2.gz MWCWILDCQSHZLU-UHFFFAOYSA-N 1 0 323.378 1.583 20 5 DDBDRO [NH3+]C1(CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCC1 ZINC000342520805 282562604 /nfs/dbraw/zinc/56/26/04/282562604.db2.gz GTXQOVYSJVLEIV-UHFFFAOYSA-N 1 0 319.770 1.408 20 5 DDBDRO C[NH2+][C@H]1CCN(S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])C1 ZINC000133072118 290836286 /nfs/dbraw/zinc/83/62/86/290836286.db2.gz HGLTYLGXBYBRLV-NSHDSACASA-N 1 0 313.379 1.194 20 5 DDBDRO CC[C@]1([NH2+]CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CCOC1 ZINC000616865526 362851684 /nfs/dbraw/zinc/85/16/84/362851684.db2.gz SZCLKYCNYXBWMH-INIZCTEOSA-N 1 0 319.361 1.643 20 5 DDBDRO COCC[NH2+]CCNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000152409951 186069719 /nfs/dbraw/zinc/06/97/19/186069719.db2.gz AHKFJFNXEVBCTP-UHFFFAOYSA-N 1 0 301.730 1.214 20 5 DDBDRO Cc1c(Cl)cc(S(=O)(=O)N(C)[C@@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000237489409 186296868 /nfs/dbraw/zinc/29/68/68/186296868.db2.gz FLSPMEFBIBLEPC-ZETCQYMHSA-N 1 0 321.786 1.524 20 5 DDBDRO C[C@@]1(O)CCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000280057669 215344640 /nfs/dbraw/zinc/34/46/40/215344640.db2.gz MLIVVGLHEIHZHX-OAHLLOKOSA-N 1 0 307.350 1.431 20 5 DDBDRO COCC(C)(C)C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000617311069 363049081 /nfs/dbraw/zinc/04/90/81/363049081.db2.gz JLDBRCGJXVOALV-UHFFFAOYSA-N 1 0 308.382 1.784 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)n1 ZINC000617403695 363089445 /nfs/dbraw/zinc/08/94/45/363089445.db2.gz YPUYDYDJEYAJFT-UHFFFAOYSA-N 1 0 323.397 1.758 20 5 DDBDRO CC[N@@H+]1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000277193080 213357926 /nfs/dbraw/zinc/35/79/26/213357926.db2.gz BORTWMANCMFFBS-NSHDSACASA-N 1 0 307.350 1.675 20 5 DDBDRO COC(=O)c1cc(C(=O)NC[C@@H](C)[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000033093008 352288122 /nfs/dbraw/zinc/28/81/22/352288122.db2.gz AGTGBXGWNHBAJG-SECBINFHSA-N 1 0 309.322 1.061 20 5 DDBDRO CN1CC[NH+](CCCCNC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000041362692 352304654 /nfs/dbraw/zinc/30/46/54/352304654.db2.gz JHEUHANERJDJJQ-UHFFFAOYSA-N 1 0 320.393 1.352 20 5 DDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)NCCCC[NH+]1CCOCC1 ZINC000047215442 352486411 /nfs/dbraw/zinc/48/64/11/352486411.db2.gz WQURQASUDUXASX-UHFFFAOYSA-N 1 0 321.377 1.366 20 5 DDBDRO Cc1c(NC(=O)CC[NH+]2CCC(CO)CC2)cccc1[N+](=O)[O-] ZINC000052819998 352626559 /nfs/dbraw/zinc/62/65/59/352626559.db2.gz BEMSUTWWMYMFIE-UHFFFAOYSA-N 1 0 321.377 1.936 20 5 DDBDRO CN(CC[N@H+](C)C1CCCCC1)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000063771225 352924308 /nfs/dbraw/zinc/92/43/08/352924308.db2.gz FMEOMHNYGNZVNR-UHFFFAOYSA-N 1 0 323.397 1.514 20 5 DDBDRO Cc1ccc(C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1[N+](=O)[O-] ZINC000061649602 352893281 /nfs/dbraw/zinc/89/32/81/352893281.db2.gz JYAQKKUFFJESKE-KBPBESRZSA-N 1 0 319.361 1.496 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000068369190 353107013 /nfs/dbraw/zinc/10/70/13/353107013.db2.gz RLTZHDXRQJNXCD-CYBMUJFWSA-N 1 0 320.349 1.182 20 5 DDBDRO COc1ccc(CC(=O)NC[C@@H](C2CC2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000069388454 353159476 /nfs/dbraw/zinc/15/94/76/353159476.db2.gz SQHPRRPFLQZJBK-AWEZNQCLSA-N 1 0 321.377 1.602 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@H]2c2ccc[nH]2)c1 ZINC000072578247 353202565 /nfs/dbraw/zinc/20/25/65/353202565.db2.gz HAULTVOPEKZBFP-JSGCOSHPSA-N 1 0 305.338 1.317 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)CC[C@H](C)O ZINC000072712805 353210524 /nfs/dbraw/zinc/21/05/24/353210524.db2.gz RELKZPODHMGUMS-LBPRGKRZSA-N 1 0 309.366 1.935 20 5 DDBDRO O=C1C[C@]2(CN1)CCC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C2 ZINC000072833172 353221130 /nfs/dbraw/zinc/22/11/30/353221130.db2.gz SFOQKXYOGOBYLU-INIZCTEOSA-N 1 0 303.362 1.739 20 5 DDBDRO CN(C(=O)[C@@H]1C[C@@H]1[N+](=O)[O-])[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000074448452 353313885 /nfs/dbraw/zinc/31/38/85/353313885.db2.gz MLUACXOGYBHBNP-XHSDSOJGSA-N 1 0 317.389 1.775 20 5 DDBDRO COc1cc(NC[C@H](C)C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000078295371 353509769 /nfs/dbraw/zinc/50/97/69/353509769.db2.gz IBUSTFVTKSMCNX-LBPRGKRZSA-N 1 0 309.366 1.984 20 5 DDBDRO Cc1cnc(NC2CCN(CC[NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000078630116 353525772 /nfs/dbraw/zinc/52/57/72/353525772.db2.gz RARDRQHBQPOHID-UHFFFAOYSA-N 1 0 307.398 1.736 20 5 DDBDRO CN(CC(=O)NC[C@@H](C1CC1)[NH+](C)C)c1ccccc1[N+](=O)[O-] ZINC000079650255 353571672 /nfs/dbraw/zinc/57/16/72/353571672.db2.gz WWQBNVUGFBWCDL-HNNXBMFYSA-N 1 0 320.393 1.487 20 5 DDBDRO CN(CC[NH+](C)C)c1ccc([N+](=O)[O-])cc1N1CCOC1=O ZINC000080685210 353622850 /nfs/dbraw/zinc/62/28/50/353622850.db2.gz VNUAPTKLHRNKBR-UHFFFAOYSA-N 1 0 308.338 1.549 20 5 DDBDRO O=C([C@@H]1CC1[N+](=O)[O-])N1CCc2c1cccc2C[NH+]1CCCC1 ZINC000081422802 353672380 /nfs/dbraw/zinc/67/23/80/353672380.db2.gz JDSQCKOQJHUTRK-ZBFHGGJFSA-N 1 0 315.373 1.837 20 5 DDBDRO CCC[N@@H+]1CC[C@H](CNc2ccc3ncc([N+](=O)[O-])n3n2)C1 ZINC000091457692 353827255 /nfs/dbraw/zinc/82/72/55/353827255.db2.gz QWKOZPCZSXJIGQ-LLVKDONJSA-N 1 0 304.354 1.781 20 5 DDBDRO COC(=O)C(C)(C)[C@@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000093279003 353891230 /nfs/dbraw/zinc/89/12/30/353891230.db2.gz XJZINQNZSHETMX-GFCCVEGCSA-N 1 0 324.381 1.703 20 5 DDBDRO C[N@@H+]1CCC[C@@H](CNC(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000108345027 353951496 /nfs/dbraw/zinc/95/14/96/353951496.db2.gz FLPZUFDKBKLSJD-LBPRGKRZSA-N 1 0 306.366 1.465 20 5 DDBDRO Cc1ccc(S(=O)(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000125099036 354044179 /nfs/dbraw/zinc/04/41/79/354044179.db2.gz XRQMKIILRMXRDT-GHMZBOCLSA-N 1 0 313.379 1.451 20 5 DDBDRO [NH3+][C@@H]1CCC[C@H](NS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000125088485 354044263 /nfs/dbraw/zinc/04/42/63/354044263.db2.gz HBHUGBOQLIRJGN-NEPJUHHUSA-N 1 0 313.379 1.284 20 5 DDBDRO CCC(CC)(C[NH3+])NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000236791999 202011317 /nfs/dbraw/zinc/01/13/17/202011317.db2.gz OYTJJTDWFPGEKH-UHFFFAOYSA-N 1 0 305.338 1.718 20 5 DDBDRO C[C@H]1C[C@@H]([NH3+])CCN1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000237534352 354344168 /nfs/dbraw/zinc/34/41/68/354344168.db2.gz JEKPYWUZNMERLC-JQWIXIFHSA-N 1 0 313.379 1.236 20 5 DDBDRO C[C@H](C[C@H](C)[NH3+])NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000320170351 354525291 /nfs/dbraw/zinc/52/52/91/354525291.db2.gz XHTQQBDZYAARDT-VHSXEESVSA-N 1 0 301.368 1.140 20 5 DDBDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])n2C)C[C@@H](C)C1 ZINC000346231301 283034964 /nfs/dbraw/zinc/03/49/64/283034964.db2.gz OBROETMBQSTOQC-OUCADQQQSA-N 1 0 320.393 1.736 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CCN(c3cc(N)c([N+](=O)[O-])c(CO)c3)[C@@H]2C1 ZINC000585779646 354839833 /nfs/dbraw/zinc/83/98/33/354839833.db2.gz HPHVDOBKSKGTAJ-QMTHXVAHSA-N 1 0 306.366 1.200 20 5 DDBDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000272319178 209708338 /nfs/dbraw/zinc/70/83/38/209708338.db2.gz SZAJRQRVSBVLCF-VHSXEESVSA-N 1 0 311.313 1.308 20 5 DDBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1c1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000588071921 354899526 /nfs/dbraw/zinc/89/95/26/354899526.db2.gz ZHGIUQBTWVCROV-SMDDNHRTSA-N 1 0 320.393 1.732 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@]1(C)CCO[C@@H]1C ZINC000494252578 235012427 /nfs/dbraw/zinc/01/24/27/235012427.db2.gz ZBGIULMSGHNTNZ-ABAIWWIYSA-N 1 0 307.350 1.999 20 5 DDBDRO C[NH+]1CCC2(CCN(C(=O)c3cc([N+](=O)[O-])c[nH]c3=O)C2)CC1 ZINC000590376019 355078400 /nfs/dbraw/zinc/07/84/00/355078400.db2.gz SMWNBNNQINNMJD-UHFFFAOYSA-N 1 0 320.349 1.253 20 5 DDBDRO Cc1nn(C)c(C(=O)N2CCC3(C2)CC[NH+](C)CC3)c1[N+](=O)[O-] ZINC000590548106 355110919 /nfs/dbraw/zinc/11/09/19/355110919.db2.gz RFLLHPZSUIESJC-UHFFFAOYSA-N 1 0 321.381 1.195 20 5 DDBDRO C[N@@H+]1C[C@H]2CCN(C(=O)c3c[nH]c4ccc([N+](=O)[O-])cc34)[C@H]2C1 ZINC000590444717 355098217 /nfs/dbraw/zinc/09/82/17/355098217.db2.gz KEKZHHWPPQVFME-BMIGLBTASA-N 1 0 314.345 1.852 20 5 DDBDRO C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000591029801 355235888 /nfs/dbraw/zinc/23/58/88/355235888.db2.gz JORUKIFOWLYBEK-VHDGCEQUSA-N 1 0 303.362 1.909 20 5 DDBDRO CCc1nn(C)c(N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC000591444697 355313061 /nfs/dbraw/zinc/31/30/61/355313061.db2.gz HDHMDHXEZBKTRF-NEPJUHHUSA-N 1 0 307.398 1.717 20 5 DDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000591448164 355313443 /nfs/dbraw/zinc/31/34/43/355313443.db2.gz FUAMIHYZMWNZKP-LALPHHSUSA-N 1 0 318.377 1.606 20 5 DDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000591448437 355313921 /nfs/dbraw/zinc/31/39/21/355313921.db2.gz HRUPHTCIGYOPTL-TYNCELHUSA-N 1 0 318.377 1.606 20 5 DDBDRO CNC(=O)[C@H]1CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000591476897 355320744 /nfs/dbraw/zinc/32/07/44/355320744.db2.gz CKFAUOOPONSBDA-LBPRGKRZSA-N 1 0 307.350 1.432 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000591298579 355283181 /nfs/dbraw/zinc/28/31/81/355283181.db2.gz FZJLKPFCDQTFIJ-SMDDNHRTSA-N 1 0 322.365 1.792 20 5 DDBDRO COc1ccc(NC(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000591297601 355283434 /nfs/dbraw/zinc/28/34/34/355283434.db2.gz ARAJHMRKGMICAG-TVQRCGJNSA-N 1 0 324.337 1.183 20 5 DDBDRO Cc1c(NC(=O)C(=O)N2CCC(C)([NH3+])CC2)cccc1[N+](=O)[O-] ZINC000591303256 355284846 /nfs/dbraw/zinc/28/48/46/355284846.db2.gz QHLKVBHQYJQFPW-UHFFFAOYSA-N 1 0 320.349 1.182 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC(C)([NH3+])CC1 ZINC000591303197 355285092 /nfs/dbraw/zinc/28/50/92/355285092.db2.gz LYULKZKJJBYAGL-UHFFFAOYSA-N 1 0 320.349 1.182 20 5 DDBDRO C[C@]1(c2ccccc2)C[C@@H]1[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000591744231 355376171 /nfs/dbraw/zinc/37/61/71/355376171.db2.gz GQVWIPRTKIVGGM-OWCLPIDISA-N 1 0 316.361 1.472 20 5 DDBDRO C[C@H](C[C@H]1CCOC1)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000591753784 355377144 /nfs/dbraw/zinc/37/71/44/355377144.db2.gz KRMPVPBKOSWPEO-MGPQQGTHSA-N 1 0 324.377 1.739 20 5 DDBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@H]1CC12CC[NH2+]CC2 ZINC000591686014 355362315 /nfs/dbraw/zinc/36/23/15/355362315.db2.gz LBRBHGVTARBAPA-ZDUSSCGKSA-N 1 0 321.402 1.945 20 5 DDBDRO O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000591892235 355414028 /nfs/dbraw/zinc/41/40/28/355414028.db2.gz HKVFEEWOWGQGHJ-GWCFXTLKSA-N 1 0 320.349 1.300 20 5 DDBDRO C[C@H]1C[C@@H](N2CCOCC2)C[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000286071915 291067281 /nfs/dbraw/zinc/06/72/81/291067281.db2.gz RWIARSIEYIOKTP-DZGCQCFKSA-N 1 0 305.378 1.890 20 5 DDBDRO COC(=O)[C@H]1C[C@@H](O)C[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000592196509 355532768 /nfs/dbraw/zinc/53/27/68/355532768.db2.gz CBXZXDGZKCIPFD-QWHCGFSZSA-N 1 0 308.334 1.259 20 5 DDBDRO O=C(c1n[nH]cc1[N+](=O)[O-])N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592254910 355547707 /nfs/dbraw/zinc/54/77/07/355547707.db2.gz LPWKTFZPCGNSGA-MNOVXSKESA-N 1 0 307.354 1.170 20 5 DDBDRO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592255451 355547761 /nfs/dbraw/zinc/54/77/61/355547761.db2.gz PSMXJXYGQNUUHT-GHMZBOCLSA-N 1 0 307.354 1.170 20 5 DDBDRO O=c1c(Br)cc([N+](=O)[O-])cn1C[C@H]1CC[NH2+]C1 ZINC000592159815 355522277 /nfs/dbraw/zinc/52/22/77/355522277.db2.gz GQFPHKSXRCXJIY-ZETCQYMHSA-N 1 0 302.128 1.129 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000592477270 355593554 /nfs/dbraw/zinc/59/35/54/355593554.db2.gz USYKNYLEFWWDRN-GWCFXTLKSA-N 1 0 323.349 1.182 20 5 DDBDRO [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000592340654 355562619 /nfs/dbraw/zinc/56/26/19/355562619.db2.gz JVSFRTNDWUPGMY-HIFRSBDPSA-N 1 0 319.361 1.563 20 5 DDBDRO O=[N+]([O-])c1cc2c(cc1-c1nc([C@@H]3CCC[NH2+]3)no1)OCO2 ZINC000592356731 355565497 /nfs/dbraw/zinc/56/54/97/355565497.db2.gz GVWITVCSVFKFCV-QMMMGPOBSA-N 1 0 304.262 1.798 20 5 DDBDRO CC[C@H]1CN(C(=O)CNc2ccccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000592544646 355622594 /nfs/dbraw/zinc/62/25/94/355622594.db2.gz FAGKVGWVGSTBHL-NWDGAFQWSA-N 1 0 306.366 1.593 20 5 DDBDRO C[C@@H]([NH3+])CNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000592547240 355623147 /nfs/dbraw/zinc/62/31/47/355623147.db2.gz USZLNCSEHUFRJV-SSDOTTSWSA-N 1 0 303.771 1.804 20 5 DDBDRO CC[C@H]1CN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000592544948 355623557 /nfs/dbraw/zinc/62/35/57/355623557.db2.gz KNFOCADXOGYYNG-QWHCGFSZSA-N 1 0 320.393 1.617 20 5 DDBDRO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592555262 355627347 /nfs/dbraw/zinc/62/73/47/355627347.db2.gz SSNSHZXMNXQEEY-NWDGAFQWSA-N 1 0 306.366 1.775 20 5 DDBDRO C[C@@H]1C[N@H+](C)[C@H](C)[C@H](C)N1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000593187719 355820043 /nfs/dbraw/zinc/82/00/43/355820043.db2.gz OIVRHKYZESLSSV-UPJWGTAASA-N 1 0 321.377 1.913 20 5 DDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CC[C@@]2(O)CCOC2)n1 ZINC000593721314 355976272 /nfs/dbraw/zinc/97/62/72/355976272.db2.gz PCMOVEDCULEUNC-UMVBOHGHSA-N 1 0 324.381 1.406 20 5 DDBDRO CN(CC[NH+]1CCCCC1)C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000593881924 356039419 /nfs/dbraw/zinc/03/94/19/356039419.db2.gz FNOKVCIZWNYQNJ-UHFFFAOYSA-N 1 0 308.338 1.253 20 5 DDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000593910136 356054562 /nfs/dbraw/zinc/05/45/62/356054562.db2.gz RLCKZFHKEHTBDU-KGLIPLIRSA-N 1 0 303.362 1.784 20 5 DDBDRO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)COc1cccc([N+](=O)[O-])c1)C2 ZINC000593912161 356056453 /nfs/dbraw/zinc/05/64/53/356056453.db2.gz BYMHHYCOEWAKJY-LRDDRELGSA-N 1 0 319.361 1.561 20 5 DDBDRO C[C@@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2N)[C@H]1CC[NH3+] ZINC000593915641 356058197 /nfs/dbraw/zinc/05/81/97/356058197.db2.gz JIGWUWUBOCQWSG-PWSUYJOCSA-N 1 0 306.366 1.767 20 5 DDBDRO CCC(C)(C)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])cn2C)CC1 ZINC000594390733 356194120 /nfs/dbraw/zinc/19/41/20/356194120.db2.gz ZVNKRAXRBFFFLU-UHFFFAOYSA-N 1 0 308.382 1.880 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@]1(OCCO)CCOC1 ZINC000595077302 356379261 /nfs/dbraw/zinc/37/92/61/356379261.db2.gz FZXFUDGZLLGZDE-CZUORRHYSA-N 1 0 324.377 1.722 20 5 DDBDRO Cc1noc(C[N@H+](CC(C)(C)O)C2CCOCC2)c1[N+](=O)[O-] ZINC000595334243 356453339 /nfs/dbraw/zinc/45/33/39/356453339.db2.gz KNWDUMWUDMQAQW-UHFFFAOYSA-N 1 0 313.354 1.643 20 5 DDBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000081361389 192256746 /nfs/dbraw/zinc/25/67/46/192256746.db2.gz NVOMMZBNOCVJRI-LBPRGKRZSA-N 1 0 320.393 1.981 20 5 DDBDRO Cc1noc(CN2CCC[C@@H](Cn3ccnn3)C2)c1[N+](=O)[O-] ZINC000595395075 356476838 /nfs/dbraw/zinc/47/68/38/356476838.db2.gz GRAJYNXKVQJPNP-LLVKDONJSA-N 1 0 306.326 1.395 20 5 DDBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@H](Cn3ccnn3)C2)cc1 ZINC000595608709 356575318 /nfs/dbraw/zinc/57/53/18/356575318.db2.gz UJQLQTQYOJDKOQ-AWEZNQCLSA-N 1 0 301.350 1.751 20 5 DDBDRO CCOc1ccc(C(=O)NC[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000236905953 202062620 /nfs/dbraw/zinc/06/26/20/202062620.db2.gz HKVGYHHOGNQTDI-LLVKDONJSA-N 1 0 307.350 1.723 20 5 DDBDRO COC(=O)[C@@H]1OCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000595662954 356598224 /nfs/dbraw/zinc/59/82/24/356598224.db2.gz GOIYGQLFYCLRRQ-GXFFZTMASA-N 1 0 310.306 1.024 20 5 DDBDRO CO[C@]1(CO)CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000595663748 356599324 /nfs/dbraw/zinc/59/93/24/356599324.db2.gz UGFLRVDOLCYFOS-OAHLLOKOSA-N 1 0 310.350 1.447 20 5 DDBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C[C@H]1COCCO1 ZINC000595734852 356627087 /nfs/dbraw/zinc/62/70/87/356627087.db2.gz CCNCDPOVGGYQCJ-LBPRGKRZSA-N 1 0 323.349 1.271 20 5 DDBDRO COc1ccc(OCC[NH2+][C@H]2C[C@H](O)C23CCC3)c([N+](=O)[O-])c1 ZINC000595786036 356652022 /nfs/dbraw/zinc/65/20/22/356652022.db2.gz YXASLTWUHCVFRH-GJZGRUSLSA-N 1 0 322.361 1.875 20 5 DDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[NH2+]C2)cc1OC ZINC000237050826 202135344 /nfs/dbraw/zinc/13/53/44/202135344.db2.gz LVHPJQMGNUNVAA-JTQLQIEISA-N 1 0 323.349 1.484 20 5 DDBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H]3COC[C@H]3C2)c2c(c1)COCO2 ZINC000595830711 356667826 /nfs/dbraw/zinc/66/78/26/356667826.db2.gz LGUJHLHFENSEBX-SMDDNHRTSA-N 1 0 320.345 1.930 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+](CCC2CC2)CC2CC2)c1 ZINC000595871468 356687190 /nfs/dbraw/zinc/68/71/90/356687190.db2.gz OOEQDYFTQKZFIX-HNNXBMFYSA-N 1 0 308.382 1.664 20 5 DDBDRO CC(C)([NH3+])c1cc(C(=O)NCc2ccc([N+](=O)[O-])cc2)on1 ZINC000595924445 356706125 /nfs/dbraw/zinc/70/61/25/356706125.db2.gz FEGYGLKTTBBBCR-UHFFFAOYSA-N 1 0 304.306 1.707 20 5 DDBDRO O=C(c1n[nH]cc1[N+](=O)[O-])N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595937539 356712782 /nfs/dbraw/zinc/71/27/82/356712782.db2.gz WJNQTHHXWPKYJN-LLVKDONJSA-N 1 0 307.354 1.170 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@@]2(C)CC[NH2+]C2)c1C ZINC000596051455 356753979 /nfs/dbraw/zinc/75/39/79/356753979.db2.gz OTNVONDVQZVFHO-ZDUSSCGKSA-N 1 0 313.379 1.242 20 5 DDBDRO CC[NH+]1CCN([C@H](C)CNc2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596078533 356764947 /nfs/dbraw/zinc/76/49/47/356764947.db2.gz SVWVPKIAJMJFFY-LLVKDONJSA-N 1 0 309.370 1.133 20 5 DDBDRO CCOc1cc(C[N@H+](C)C[C@@H](C)C(=O)NC)ccc1[N+](=O)[O-] ZINC000276914501 213172699 /nfs/dbraw/zinc/17/26/99/213172699.db2.gz NZJXXQAJMTUHCX-LLVKDONJSA-N 1 0 309.366 1.807 20 5 DDBDRO CCCN(CCC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000189274383 283223913 /nfs/dbraw/zinc/22/39/13/283223913.db2.gz LYCCNTXBUWLYGQ-UHFFFAOYSA-N 1 0 308.382 1.981 20 5 DDBDRO CC(C)[NH2+]C1(CO)CCN(c2ncc([N+](=O)[O-])s2)CC1 ZINC000596251816 356833112 /nfs/dbraw/zinc/83/31/12/356833112.db2.gz ZDCIFKCQJZYGBN-UHFFFAOYSA-N 1 0 300.384 1.381 20 5 DDBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596151945 356793057 /nfs/dbraw/zinc/79/30/57/356793057.db2.gz MYSZBNFUPDOZAV-ZWNOBZJWSA-N 1 0 306.366 1.470 20 5 DDBDRO C[NH2+]C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2OC)C1 ZINC000237197835 202187453 /nfs/dbraw/zinc/18/74/53/202187453.db2.gz CYLJGIPFWVYDJA-NSHDSACASA-N 1 0 307.350 1.675 20 5 DDBDRO C[C@H](NCc1nc(C[NH3+])cc(=O)[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000596653920 356942997 /nfs/dbraw/zinc/94/29/97/356942997.db2.gz MIRMZTGNCPDWAN-VIFPVBQESA-N 1 0 303.322 1.400 20 5 DDBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCC12CC(C1)C[NH2+]2 ZINC000596654963 356943045 /nfs/dbraw/zinc/94/30/45/356943045.db2.gz RXFZGEASVFWBDI-OPGSHWCFSA-N 1 0 318.377 1.654 20 5 DDBDRO Cc1cc(N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)ccc1[N+](=O)[O-] ZINC000596538586 356911205 /nfs/dbraw/zinc/91/12/05/356911205.db2.gz MKUYIJPVJBPUKU-OAHLLOKOSA-N 1 0 305.378 1.939 20 5 DDBDRO Cc1cc([N+](=O)[O-])cnc1N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000596565272 356918663 /nfs/dbraw/zinc/91/86/63/356918663.db2.gz DAUPEWCCJMRWHZ-CQSZACIVSA-N 1 0 308.382 1.845 20 5 DDBDRO COc1cc(C(=O)N2CC(C[NH+](C)C)C2)c([N+](=O)[O-])cc1F ZINC000597705262 357293609 /nfs/dbraw/zinc/29/36/09/357293609.db2.gz DBTUVPRDKSZLOJ-UHFFFAOYSA-N 1 0 311.313 1.376 20 5 DDBDRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000597921918 357382403 /nfs/dbraw/zinc/38/24/03/357382403.db2.gz HVDYSPYKVXYHEZ-JTQLQIEISA-N 1 0 306.366 1.780 20 5 DDBDRO CCN(C(=O)c1ccc([N+](=O)[O-])c(OC)c1)[C@@H]1CC[N@H+](C)C1 ZINC000597946878 357395181 /nfs/dbraw/zinc/39/51/81/357395181.db2.gz RVLJNSDNAPGQSL-GFCCVEGCSA-N 1 0 307.350 1.770 20 5 DDBDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000598265353 357513969 /nfs/dbraw/zinc/51/39/69/357513969.db2.gz SKVCDCQPRXQYPI-GFCCVEGCSA-N 1 0 306.366 1.840 20 5 DDBDRO O=C(NCC1CC[NH+](CC2CC2)CC1)c1ccc([N+](=O)[O-])cn1 ZINC000598541103 357626828 /nfs/dbraw/zinc/62/68/28/357626828.db2.gz OAKXRJCHESNITP-UHFFFAOYSA-N 1 0 318.377 1.842 20 5 DDBDRO COC(=O)c1ccnc(N2CC[C@H](C[NH+](C)C)C2)c1[N+](=O)[O-] ZINC000598594577 357645478 /nfs/dbraw/zinc/64/54/78/357645478.db2.gz AZWIKIZTAAGLSB-SNVBAGLBSA-N 1 0 308.338 1.164 20 5 DDBDRO C[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1CO ZINC000598652064 357671952 /nfs/dbraw/zinc/67/19/52/357671952.db2.gz WTISVTANRRKVJE-OLZOCXBDSA-N 1 0 321.377 1.874 20 5 DDBDRO Cc1c(CC(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)cccc1[N+](=O)[O-] ZINC000292357886 223019471 /nfs/dbraw/zinc/01/94/71/223019471.db2.gz VYFLCCZGTOQTFB-QGZVFWFLSA-N 1 0 317.389 2.000 20 5 DDBDRO CCCN(C(=O)CCOc1ccccc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000178912307 198952197 /nfs/dbraw/zinc/95/21/97/198952197.db2.gz KQMAACUOCZYKFZ-CYBMUJFWSA-N 1 0 321.377 1.964 20 5 DDBDRO CC(C)C[C@@](C)(C[NH3+])NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598914355 357757087 /nfs/dbraw/zinc/75/70/87/357757087.db2.gz BCMNQSLRBHJOOS-HNNXBMFYSA-N 1 0 322.365 1.413 20 5 DDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@@H](O)[C@@H]2CCCO2)n1 ZINC000599064043 357805776 /nfs/dbraw/zinc/80/57/76/357805776.db2.gz BFNPKVXWWVXNQA-DGAVXFQQSA-N 1 0 324.381 1.405 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000599112471 357819234 /nfs/dbraw/zinc/81/92/34/357819234.db2.gz XACBJLSUPQTICH-CMPLNLGQSA-N 1 0 313.379 1.240 20 5 DDBDRO Cn1cc[nH+]c1C([N-]c1ncc([N+](=O)[O-])s1)c1[nH+]ccn1C ZINC000599130096 357823941 /nfs/dbraw/zinc/82/39/41/357823941.db2.gz LMMOJFKHEIXWAS-UHFFFAOYSA-N 1 0 319.350 1.720 20 5 DDBDRO O=[N+]([O-])c1cccc(OCCN2CC[NH+](CCCF)CC2)c1 ZINC000599667734 358016106 /nfs/dbraw/zinc/01/61/06/358016106.db2.gz IWZYOXCNBGFTCZ-UHFFFAOYSA-N 1 0 311.357 1.951 20 5 DDBDRO C[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CCOCC1 ZINC000179838921 199086644 /nfs/dbraw/zinc/08/66/44/199086644.db2.gz UODRHQJXUKPIRM-JTQLQIEISA-N 1 0 307.350 1.598 20 5 DDBDRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000599897675 358077458 /nfs/dbraw/zinc/07/74/58/358077458.db2.gz RSEWMGAQCFRONQ-NWDGAFQWSA-N 1 0 320.349 1.098 20 5 DDBDRO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000600007728 358102083 /nfs/dbraw/zinc/10/20/83/358102083.db2.gz ZAQQXRCXWQEUDX-UHFFFAOYSA-N 1 0 322.365 1.250 20 5 DDBDRO COc1ccc(C(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000237352425 202241393 /nfs/dbraw/zinc/24/13/93/202241393.db2.gz PSPULNFQYXKWHH-ZYHUDNBSSA-N 1 0 307.350 1.803 20 5 DDBDRO C[NH2+]CCOCCN(C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000600731471 358299256 /nfs/dbraw/zinc/29/92/56/358299256.db2.gz SCUKVXVVSBQPRR-GFCCVEGCSA-N 1 0 324.381 1.090 20 5 DDBDRO O=[N+]([O-])c1cc(F)cnc1N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000601198529 358443332 /nfs/dbraw/zinc/44/33/32/358443332.db2.gz CEOYSIKKGPDIDQ-LBPRGKRZSA-N 1 0 310.329 1.164 20 5 DDBDRO CNC(=O)c1ccc(N2C[C@@H]3CC[N@H+](C)C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000601183714 358437853 /nfs/dbraw/zinc/43/78/53/358437853.db2.gz DAQFLGFGGMQYPR-QWHCGFSZSA-N 1 0 318.377 1.342 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC([NH+]3CCCC3)C2)n1 ZINC000601193996 358441294 /nfs/dbraw/zinc/44/12/94/358441294.db2.gz UCCPKGVSWLZDSW-UHFFFAOYSA-N 1 0 306.322 1.061 20 5 DDBDRO C[C@@H]1CC[N@H+](CC(=O)N[C@@](C)(CO)c2cccc([N+](=O)[O-])c2)C1 ZINC000601776166 358690586 /nfs/dbraw/zinc/69/05/86/358690586.db2.gz HICOPDMTSNUAEB-WBMJQRKESA-N 1 0 321.377 1.260 20 5 DDBDRO CCC1([NH+](C)C)CCN(C(=O)c2ccc([N+](=O)[O-])n2C)CC1 ZINC000601792273 358697552 /nfs/dbraw/zinc/69/75/52/358697552.db2.gz UHLDHZBNNJMWHE-UHFFFAOYSA-N 1 0 308.382 1.880 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@@H]([NH+](C)C)C2(C)C)n1 ZINC000602174197 358863293 /nfs/dbraw/zinc/86/32/93/358863293.db2.gz SCJIWBKMIMMLEW-GHMZBOCLSA-N 1 0 309.370 1.270 20 5 DDBDRO CNc1ccc(C(=O)N[C@H]2C[C@@H]([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000602175439 358865186 /nfs/dbraw/zinc/86/51/86/358865186.db2.gz XWKKXVMOSIXBTG-BETUJISGSA-N 1 0 318.377 1.993 20 5 DDBDRO C[C@H]1CC[C@@H](NC(=O)CN(C)c2ccccc2[N+](=O)[O-])C[NH2+]1 ZINC000602556839 359043116 /nfs/dbraw/zinc/04/31/16/359043116.db2.gz WCAIMGYLOOVYLV-NWDGAFQWSA-N 1 0 306.366 1.288 20 5 DDBDRO CO[C@@H]1C[NH2+][C@](C)(C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000602446119 358981242 /nfs/dbraw/zinc/98/12/42/358981242.db2.gz UTBTUGBMMOZEPQ-ZFWWWQNUSA-N 1 0 307.350 1.021 20 5 DDBDRO CO[C@@H]1COCC[C@H]1C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602677330 359120870 /nfs/dbraw/zinc/12/08/70/359120870.db2.gz XOYCOMXDIZTKPU-IINYFYTJSA-N 1 0 321.333 1.877 20 5 DDBDRO COC(=O)[C@@H]1CC12CC[NH+](CCn1c(C)ncc1[N+](=O)[O-])CC2 ZINC000602784008 359189136 /nfs/dbraw/zinc/18/91/36/359189136.db2.gz GJZANCIZHLWSQH-LBPRGKRZSA-N 1 0 322.365 1.375 20 5 DDBDRO C[C@H]1CC[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CS1(=O)=O ZINC000602712510 359142396 /nfs/dbraw/zinc/14/23/96/359142396.db2.gz YWZKBMQYHYJFBD-WCQYABFASA-N 1 0 312.391 1.693 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000602836712 359228171 /nfs/dbraw/zinc/22/81/71/359228171.db2.gz GYFPVVHNNMRBDH-GFCCVEGCSA-N 1 0 324.772 1.897 20 5 DDBDRO O=[N+]([O-])c1ccccc1CC[NH2+]C[C@@H](O)COC1CCOCC1 ZINC000565653918 304082374 /nfs/dbraw/zinc/08/23/74/304082374.db2.gz IEFLLEIGBFCTAQ-CQSZACIVSA-N 1 0 324.377 1.283 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@H](OC)C[C@]1(C)CO ZINC000602965139 359329472 /nfs/dbraw/zinc/32/94/72/359329472.db2.gz ZRSBCKOQALTQTI-UKRRQHHQSA-N 1 0 310.350 1.575 20 5 DDBDRO O=[N+]([O-])c1ccc(Cn2cc(C[C@@H]3CC[NH2+]C3)nn2)c(F)c1 ZINC000603222745 359493802 /nfs/dbraw/zinc/49/38/02/359493802.db2.gz CQXFJKVKMCSFAX-JTQLQIEISA-N 1 0 305.313 1.526 20 5 DDBDRO COc1ccc(CNC(=O)[C@@]23CCC[C@@H]2C[NH2+]C3)cc1[N+](=O)[O-] ZINC000280943469 215979926 /nfs/dbraw/zinc/97/99/26/215979926.db2.gz WLSUQDLOOOMXBP-MLGOLLRUSA-N 1 0 319.361 1.609 20 5 DDBDRO O=[N+]([O-])c1cc2c(ncnc2NC[C@H]2CSCC[NH2+]2)s1 ZINC000603418622 359628757 /nfs/dbraw/zinc/62/87/57/359628757.db2.gz HTQRIRCGOAUSAM-ZETCQYMHSA-N 1 0 311.392 1.716 20 5 DDBDRO Cn1cc(CN2C[C@@H]([NH3+])CCc3ccccc32)c([N+](=O)[O-])n1 ZINC000603431427 359636410 /nfs/dbraw/zinc/63/64/10/359636410.db2.gz XAEHRMKOTWWWET-ZDUSSCGKSA-N 1 0 301.350 1.608 20 5 DDBDRO [NH3+]C[C@@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C1CC1 ZINC000237793175 202355223 /nfs/dbraw/zinc/35/52/23/202355223.db2.gz IVNXWKMYXUXZIF-CYBMUJFWSA-N 1 0 318.377 1.662 20 5 DDBDRO [NH3+][C@H]1CC[C@@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000237863012 202372745 /nfs/dbraw/zinc/37/27/45/202372745.db2.gz FRHMGXRAPXFJQF-OLZOCXBDSA-N 1 0 318.377 1.371 20 5 DDBDRO O=C(N[C@H]1CCC[NH2+]C1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000237888607 202380801 /nfs/dbraw/zinc/38/08/01/202380801.db2.gz WMQRESIEEJHQSQ-LBPRGKRZSA-N 1 0 304.350 1.651 20 5 DDBDRO O=C(NC[C@@H]1CCC[NH2+]C1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000237933706 202396138 /nfs/dbraw/zinc/39/61/38/202396138.db2.gz YGBZVFQLYRTJBH-SECBINFHSA-N 1 0 308.294 1.232 20 5 DDBDRO CC(C)(C(=O)N1CC[C@@H]([NH+]2CCCC2)C1)n1cc([N+](=O)[O-])cn1 ZINC000608905344 360252830 /nfs/dbraw/zinc/25/28/30/360252830.db2.gz FHMQWJYGRXUTKZ-GFCCVEGCSA-N 1 0 321.381 1.223 20 5 DDBDRO O=C1N[C@H]2CC[N@@H+](CCc3ccc([N+](=O)[O-])cc3)C[C@@H]2CO1 ZINC000281182136 216135597 /nfs/dbraw/zinc/13/55/97/216135597.db2.gz AZDCFTQNZIJYNA-OCCSQVGLSA-N 1 0 305.334 1.568 20 5 DDBDRO O=[N+]([O-])c1ccc(CN2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c(F)c1 ZINC000610476520 360444772 /nfs/dbraw/zinc/44/47/72/360444772.db2.gz BCZHWIJKLZQTLB-JKSUJKDBSA-N 1 0 323.368 1.765 20 5 DDBDRO C[C@@H](C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)[NH+](C)C ZINC000610541539 360464263 /nfs/dbraw/zinc/46/42/63/360464263.db2.gz QJAOQAVYKJVSBM-LBPRGKRZSA-N 1 0 306.366 1.194 20 5 DDBDRO O=[N+]([O-])c1cc2c(cc1CN1C[C@@H]3C[NH2+]C[C@H]3C1)OCCO2 ZINC000611287845 360690334 /nfs/dbraw/zinc/69/03/34/360690334.db2.gz WRCRAOICROCEIV-RYUDHWBXSA-N 1 0 305.334 1.017 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@@H](OCC[NH+](C)C)C2)n1 ZINC000611617217 360777336 /nfs/dbraw/zinc/77/73/36/360777336.db2.gz RKDBPUTWICWVST-CYBMUJFWSA-N 1 0 308.382 1.764 20 5 DDBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]CC[C@@H]1CCOC1)OCCO2 ZINC000612201715 360941961 /nfs/dbraw/zinc/94/19/61/360941961.db2.gz ORVCPXANLBUDJT-LLVKDONJSA-N 1 0 308.334 1.882 20 5 DDBDRO O=[N+]([O-])c1cc(C[N@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)c2c(c1)COCO2 ZINC000612134116 360928574 /nfs/dbraw/zinc/92/85/74/360928574.db2.gz GSJRKLHXOVSRQX-VQISRLSMSA-N 1 0 320.345 1.664 20 5 DDBDRO C[N@H+]1C[C@H]2CN(Cc3cc4c(cc3[N+](=O)[O-])OCCO4)C[C@H]2C1 ZINC000618826191 363770728 /nfs/dbraw/zinc/77/07/28/363770728.db2.gz SCSRAVOYNZTPLC-BETUJISGSA-N 1 0 319.361 1.359 20 5 DDBDRO C[NH2+][C@H]1CCCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])C1 ZINC000133626855 283680106 /nfs/dbraw/zinc/68/01/06/283680106.db2.gz MKFGKMNEIQPULX-LBPRGKRZSA-N 1 0 306.366 1.241 20 5 DDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCCC[NH3+] ZINC000194744258 201282595 /nfs/dbraw/zinc/28/25/95/201282595.db2.gz FXXYJSPDEDBAFV-UHFFFAOYSA-N 1 0 301.368 1.174 20 5 DDBDRO COc1cccc(C(=O)N2CCCC[C@@H]2CC[NH3+])c1[N+](=O)[O-] ZINC000566102297 304117304 /nfs/dbraw/zinc/11/73/04/304117304.db2.gz FJYQIMXUMWYFAU-LLVKDONJSA-N 1 0 307.350 1.947 20 5 DDBDRO O=C(C[NH2+]C[C@@H]1CCCO1)NCCc1ccc([N+](=O)[O-])cc1 ZINC000152756801 283846499 /nfs/dbraw/zinc/84/64/99/283846499.db2.gz QWQFDECQYRGCAC-AWEZNQCLSA-N 1 0 307.350 1.022 20 5 DDBDRO CN(C1CCC([NH3+])CC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000091846203 193116801 /nfs/dbraw/zinc/11/68/01/193116801.db2.gz OCNRVJSMKULEOL-UHFFFAOYSA-N 1 0 313.379 1.485 20 5 DDBDRO O=C(NC1CC[NH2+]CC1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000262497799 283937024 /nfs/dbraw/zinc/93/70/24/283937024.db2.gz DYAIJLNYXDZACC-UHFFFAOYSA-N 1 0 315.333 1.262 20 5 DDBDRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000566244210 304132474 /nfs/dbraw/zinc/13/24/74/304132474.db2.gz JTJULOOKQCXWIB-NSHDSACASA-N 1 0 323.349 1.769 20 5 DDBDRO COCC[NH2+]CCNC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000262096507 203196147 /nfs/dbraw/zinc/19/61/47/203196147.db2.gz HXXMEOHUUOIYMW-UHFFFAOYSA-N 1 0 301.730 1.214 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262622946 203354882 /nfs/dbraw/zinc/35/48/82/203354882.db2.gz JKJNEYPYQZDANR-NEPJUHHUSA-N 1 0 305.334 1.327 20 5 DDBDRO CCC[C@](C)([NH3+])C(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000262636045 203359610 /nfs/dbraw/zinc/35/96/10/203359610.db2.gz ZKTBCIIGIPYFTD-AWEZNQCLSA-N 1 0 309.322 1.837 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262656077 203367999 /nfs/dbraw/zinc/36/79/99/203367999.db2.gz WXKIVMVRIOOQBL-MNOVXSKESA-N 1 0 323.324 1.466 20 5 DDBDRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000262711791 203389974 /nfs/dbraw/zinc/38/99/74/203389974.db2.gz CTYNBGLIUMBDBW-RYUDHWBXSA-N 1 0 307.350 1.478 20 5 DDBDRO CCCc1n[nH]c(C(=O)N[C@H]2CC[C@@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000093986717 193334939 /nfs/dbraw/zinc/33/49/39/193334939.db2.gz RZCPNGKNCTYRQV-VHSXEESVSA-N 1 0 309.370 1.483 20 5 DDBDRO O=C(N[C@H]1CCC[NH2+]C1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000123908724 284173001 /nfs/dbraw/zinc/17/30/01/284173001.db2.gz SKAMUSCJJCNQNH-NSHDSACASA-N 1 0 315.333 1.262 20 5 DDBDRO COCC[N@H+](C)CCNC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000271739694 209170761 /nfs/dbraw/zinc/17/07/61/209170761.db2.gz WBGYIAIZVOOHLF-LBPRGKRZSA-N 1 0 324.381 1.533 20 5 DDBDRO C[C@@H](O)C[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)[C@@H](C)C1 ZINC000282496767 217040604 /nfs/dbraw/zinc/04/06/04/217040604.db2.gz NAPSMDDDCFBNAH-NWDGAFQWSA-N 1 0 311.357 1.621 20 5 DDBDRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000566556687 304168806 /nfs/dbraw/zinc/16/88/06/304168806.db2.gz UGEFLZHNKBHOSI-DTWKUNHWSA-N 1 0 307.306 1.133 20 5 DDBDRO CN(C(=O)CN1CCC[N@H+](C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000282926211 217329187 /nfs/dbraw/zinc/32/91/87/217329187.db2.gz FHZXZKQSOUFKDR-UHFFFAOYSA-N 1 0 306.366 1.195 20 5 DDBDRO CC[N@@H+]1CCN(C(=O)COc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000288484430 220171971 /nfs/dbraw/zinc/17/19/71/220171971.db2.gz PLSCFGJPNHVFSX-GFCCVEGCSA-N 1 0 307.350 1.526 20 5 DDBDRO CN1CC[NH2+]C[C@@H]1CNc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000394827532 307295805 /nfs/dbraw/zinc/29/58/05/307295805.db2.gz XWTLMQOEPRKGDJ-SNVBAGLBSA-N 1 0 318.299 1.929 20 5 DDBDRO C[NH+](C)C(C)(C)CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000046318006 248195025 /nfs/dbraw/zinc/19/50/25/248195025.db2.gz DIHWDOPZMXESGW-UHFFFAOYSA-N 1 0 305.338 1.541 20 5 DDBDRO CCC[C@H]1C[NH2+]CCN1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000567222358 304204694 /nfs/dbraw/zinc/20/46/94/304204694.db2.gz MVCDTDHNVYUECQ-AWEZNQCLSA-N 1 0 306.366 1.878 20 5 DDBDRO CNC(=O)c1ccc(N[C@H]2CC[N@H+](C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000336859133 249267409 /nfs/dbraw/zinc/26/74/09/249267409.db2.gz FIZDEHBJZDGWGA-PWSUYJOCSA-N 1 0 306.366 1.849 20 5 DDBDRO CC[NH+]1CCN(CCNC(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000042592177 183288841 /nfs/dbraw/zinc/28/88/41/183288841.db2.gz DQLVVZBGUKQUBR-UHFFFAOYSA-N 1 0 320.393 1.271 20 5 DDBDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000042723099 183301579 /nfs/dbraw/zinc/30/15/79/183301579.db2.gz LKYZHXXKETWFFO-GFCCVEGCSA-N 1 0 309.370 1.172 20 5 DDBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N1CC[C@]2(CC[NH2+]C2)C1 ZINC000274162474 211391466 /nfs/dbraw/zinc/39/14/66/211391466.db2.gz LEUMLQKKVPFGHN-INIZCTEOSA-N 1 0 319.361 1.576 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000268360143 206657132 /nfs/dbraw/zinc/65/71/32/206657132.db2.gz CEGYCANTGNXVFI-UHFFFAOYSA-N 1 0 320.393 1.504 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1C[C@H](C)[NH+](C)[C@@H](C)C1 ZINC000339620088 250569951 /nfs/dbraw/zinc/56/99/51/250569951.db2.gz TZQQXFLKQKIVPJ-STQMWFEESA-N 1 0 320.393 1.866 20 5 DDBDRO C[NH+](C)[C@H]1CCCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000109810993 194290490 /nfs/dbraw/zinc/29/04/90/194290490.db2.gz GKBCBXFHCDINAE-AWEZNQCLSA-N 1 0 321.377 1.987 20 5 DDBDRO Cn1cc([N+](=O)[O-])c(C(=O)NCC2(C[NH+](C)C)CCCC2)n1 ZINC000273530407 210845548 /nfs/dbraw/zinc/84/55/48/210845548.db2.gz HQYALYXIOJPRQF-UHFFFAOYSA-N 1 0 309.370 1.180 20 5 DDBDRO CC[C@@H]([NH2+]C[C@@H]1CN(C)CCN1C)c1cccc([N+](=O)[O-])c1 ZINC000268961864 207127352 /nfs/dbraw/zinc/12/73/52/207127352.db2.gz XKTLGIHFIJXNHL-HZPDHXFCSA-N 1 0 306.410 1.881 20 5 DDBDRO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000285886591 218689966 /nfs/dbraw/zinc/68/99/66/218689966.db2.gz CFUHBZRANWRYOX-HFAKWTLXSA-N 1 0 307.350 1.476 20 5 DDBDRO COCC[N@H+](C)CCNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000061380218 184170232 /nfs/dbraw/zinc/17/02/32/184170232.db2.gz OSNQPJXPSLXKQL-UHFFFAOYSA-N 1 0 315.757 1.556 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@@H](O)C[C@@H]1C ZINC000340907084 251269706 /nfs/dbraw/zinc/26/97/06/251269706.db2.gz LEQGREUCZROMJL-AAEUAGOBSA-N 1 0 307.350 1.687 20 5 DDBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000340968968 251309924 /nfs/dbraw/zinc/30/99/24/251309924.db2.gz DBCWWZJCCVILRK-GFCCVEGCSA-N 1 0 319.361 1.717 20 5 DDBDRO C[C@@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000063193847 184277556 /nfs/dbraw/zinc/27/75/56/184277556.db2.gz ODGFFQLLJPKTHC-ZWNOBZJWSA-N 1 0 313.379 1.485 20 5 DDBDRO O=C(CCn1cc([N+](=O)[O-])cn1)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000269189985 207311378 /nfs/dbraw/zinc/31/13/78/207311378.db2.gz GYZPFNFASOZGJQ-UHFFFAOYSA-N 1 0 315.333 1.466 20 5 DDBDRO C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N(C)C)[C@H]1CCC[NH2+]C1 ZINC000269219118 207337473 /nfs/dbraw/zinc/33/74/73/207337473.db2.gz RWEYZWJCIJHOKX-NEPJUHHUSA-N 1 0 320.393 1.779 20 5 DDBDRO C[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC[C@H]1[NH3+] ZINC000269221920 207341156 /nfs/dbraw/zinc/34/11/56/207341156.db2.gz RYVMYODYJHIEEW-NOZJJQNGSA-N 1 0 311.769 1.986 20 5 DDBDRO O=C(CNc1ccccc1[N+](=O)[O-])N1CC[C@]2(CC[NH2+]C2)C1 ZINC000158852893 197306781 /nfs/dbraw/zinc/30/67/81/197306781.db2.gz IYRODIBEYDNLEP-HNNXBMFYSA-N 1 0 304.350 1.219 20 5 DDBDRO Cc1nn(CCC(=O)N[C@H]2CCCC[C@@H]2C[NH3+])c(C)c1[N+](=O)[O-] ZINC000158684253 197293867 /nfs/dbraw/zinc/29/38/67/197293867.db2.gz UHESEHSVXBUGNG-OLZOCXBDSA-N 1 0 323.397 1.432 20 5 DDBDRO COc1cc(OCC(=O)N2CCC[C@@H]([NH3+])[C@H]2C)ccc1[N+](=O)[O-] ZINC000297333576 533089343 /nfs/dbraw/zinc/08/93/43/533089343.db2.gz ICGSHLFEUQUXGS-ZYHUDNBSSA-N 1 0 323.349 1.320 20 5 DDBDRO CN([C@H](C[NH3+])C1CC1)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000359982271 299575369 /nfs/dbraw/zinc/57/53/69/299575369.db2.gz CIZCWXBUQGEZOQ-CYBMUJFWSA-N 1 0 313.379 1.094 20 5 DDBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NC[C@@H]1CCC[NH2+]1 ZINC000178918881 285155135 /nfs/dbraw/zinc/15/51/35/285155135.db2.gz BZFXNKVXEVNKCM-QMMMGPOBSA-N 1 0 319.770 1.279 20 5 DDBDRO CCC[C@@]1(CO)CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000288754320 220395104 /nfs/dbraw/zinc/39/51/04/220395104.db2.gz IGOBWFDBXGGZND-OAHLLOKOSA-N 1 0 309.366 1.241 20 5 DDBDRO C[N@H+](CCC1CCOCC1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000120608749 195201296 /nfs/dbraw/zinc/20/12/96/195201296.db2.gz XJEBFNYKCGYMTJ-UHFFFAOYSA-N 1 0 321.377 1.942 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000289714504 221173996 /nfs/dbraw/zinc/17/39/96/221173996.db2.gz KYTZOJULBXRASL-GHMZBOCLSA-N 1 0 323.324 1.181 20 5 DDBDRO CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000289734523 221187637 /nfs/dbraw/zinc/18/76/37/221187637.db2.gz VKQKPDCNHGUXMF-NWDGAFQWSA-N 1 0 306.366 1.511 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414651764 533226235 /nfs/dbraw/zinc/22/62/35/533226235.db2.gz GELOFMQRZCEMDB-MNOVXSKESA-N 1 0 320.349 1.962 20 5 DDBDRO C[C@@H](CC[NH+](C)C)NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000352879751 285356138 /nfs/dbraw/zinc/35/61/38/285356138.db2.gz GPVJHGILAJZNNH-JTQLQIEISA-N 1 0 301.368 1.213 20 5 DDBDRO C[C@@H]([NH2+]CCN1C(=O)N[C@@H](C)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000459399595 533393804 /nfs/dbraw/zinc/39/38/04/533393804.db2.gz VNELZJINRDDBPP-ZJUUUORDSA-N 1 0 306.322 1.186 20 5 DDBDRO COC(=O)[C@@H]1CN(Cc2ccc(C)c([N+](=O)[O-])c2)CC[N@H+](C)C1 ZINC000414493341 533488535 /nfs/dbraw/zinc/48/85/35/533488535.db2.gz IFMNTMWLVBLGPQ-AWEZNQCLSA-N 1 0 321.377 1.440 20 5 DDBDRO COc1ccc(CNC(=O)[C@H]2C[C@@]23CC[NH2+]C3)cc1[N+](=O)[O-] ZINC000444156171 533644849 /nfs/dbraw/zinc/64/48/49/533644849.db2.gz KVWWWBRARKELAB-IAQYHMDHSA-N 1 0 305.334 1.219 20 5 DDBDRO COc1cc(C(=O)N[C@@H]2CCC[C@H]2C[NH3+])c([N+](=O)[O-])cc1OC ZINC000237269984 286201959 /nfs/dbraw/zinc/20/19/59/286201959.db2.gz PFSZLIMWGMKMMP-GXSJLCMTSA-N 1 0 323.349 1.469 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1 ZINC000248575993 286381583 /nfs/dbraw/zinc/38/15/83/286381583.db2.gz DODRPVZYDNLFRH-XDTLVQLUSA-N 1 0 305.334 1.413 20 5 DDBDRO C[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])s1)[N@H+](C)C1CC1 ZINC000069129048 406682447 /nfs/dbraw/zinc/68/24/47/406682447.db2.gz PHHAENCHRHGANF-QMMMGPOBSA-N 1 0 319.408 1.417 20 5 DDBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](CCOCC3CC3)C2)nc1 ZINC000072665240 406884464 /nfs/dbraw/zinc/88/44/64/406884464.db2.gz IJPCRYODZKALBM-CYBMUJFWSA-N 1 0 306.366 1.903 20 5 DDBDRO CCOC(=O)c1ccnc(NC2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000077905303 407014173 /nfs/dbraw/zinc/01/41/73/407014173.db2.gz FFIRRDHXOIZEKV-UHFFFAOYSA-N 1 0 308.338 1.673 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@H]1CCCC[NH2+]1 ZINC000044492703 407024232 /nfs/dbraw/zinc/02/42/32/407024232.db2.gz BTAOATIAJIKIOO-LLVKDONJSA-N 1 0 313.379 1.324 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1CCC[NH2+]C1 ZINC000044502499 407025213 /nfs/dbraw/zinc/02/52/13/407025213.db2.gz JORJVQSRLKBVIP-NSHDSACASA-N 1 0 313.379 1.181 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000078706977 407042679 /nfs/dbraw/zinc/04/26/79/407042679.db2.gz YFWJEALSAQZLCR-UHFFFAOYSA-N 1 0 321.377 1.744 20 5 DDBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCS(=O)(=O)C2)c(Cl)c1 ZINC000049963503 407126447 /nfs/dbraw/zinc/12/64/47/407126447.db2.gz OOBSDXXMRFFCFE-SECBINFHSA-N 1 0 318.782 1.773 20 5 DDBDRO CC(C)[N@H+](C)CCNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000089620197 407142464 /nfs/dbraw/zinc/14/24/64/407142464.db2.gz MOQSHNXAACLCJJ-UHFFFAOYSA-N 1 0 315.395 1.750 20 5 DDBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@]2(O)CCOC2)cc1[N+](=O)[O-] ZINC000090848823 407171958 /nfs/dbraw/zinc/17/19/58/407171958.db2.gz RCOFEKXDVKGTHT-IAQYHMDHSA-N 1 0 310.350 1.796 20 5 DDBDRO C[C@@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)CS(C)(=O)=O ZINC000180438367 306694880 /nfs/dbraw/zinc/69/48/80/306694880.db2.gz CLCDQUCPVLTIQT-QWRGUYRKSA-N 1 0 300.380 1.926 20 5 DDBDRO COC(=O)[C@@H]1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000066832328 407260435 /nfs/dbraw/zinc/26/04/35/407260435.db2.gz PNXKDQNHYBRLJM-GFCCVEGCSA-N 1 0 308.334 1.859 20 5 DDBDRO Cc1c(C(=O)N2CCC[N@@H+](C)CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000097617891 407300537 /nfs/dbraw/zinc/30/05/37/407300537.db2.gz PTCNJMUWXJGCNZ-UHFFFAOYSA-N 1 0 322.321 1.589 20 5 DDBDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000124357870 407356216 /nfs/dbraw/zinc/35/62/16/407356216.db2.gz WBJSXKARKOMFSE-ZDUSSCGKSA-N 1 0 323.397 1.276 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC[N@H+](C)C2)c1 ZINC000108333538 407384027 /nfs/dbraw/zinc/38/40/27/407384027.db2.gz WFIGTMZEWKDZJA-LLVKDONJSA-N 1 0 307.350 1.675 20 5 DDBDRO CNC(=O)[C@H]1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000111262952 407403368 /nfs/dbraw/zinc/40/33/68/407403368.db2.gz QWIJDSXXOHTKFC-LBPRGKRZSA-N 1 0 307.350 1.432 20 5 DDBDRO O=C(N[C@H]1CC[NH2+]C1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000127224619 407430951 /nfs/dbraw/zinc/43/09/51/407430951.db2.gz AWXSRSXVFJZMGR-LBPRGKRZSA-N 1 0 318.377 1.677 20 5 DDBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2N)[C@H](C)C1 ZINC000185725553 407488257 /nfs/dbraw/zinc/48/82/57/407488257.db2.gz HTXYQYWGNXIRSH-IAQYHMDHSA-N 1 0 320.393 1.979 20 5 DDBDRO C[C@@H]1C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000170768228 407499701 /nfs/dbraw/zinc/49/97/01/407499701.db2.gz OWUCDDOSKZKTFU-OCCSQVGLSA-N 1 0 310.350 1.445 20 5 DDBDRO COc1ccc(C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1[N+](=O)[O-] ZINC000261894073 407659500 /nfs/dbraw/zinc/65/95/00/407659500.db2.gz ODQCIVGTZKPTSK-RWMBFGLXSA-N 1 0 319.361 1.803 20 5 DDBDRO C[C@@H]([NH3+])[C@@H]1CCCCN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000261839202 407634673 /nfs/dbraw/zinc/63/46/73/407634673.db2.gz CGMAMNYQJUCCQN-YPMHNXCESA-N 1 0 306.366 1.735 20 5 DDBDRO C[NH2+]C[C@@H]1CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000179003519 407689108 /nfs/dbraw/zinc/68/91/08/407689108.db2.gz RPYJOUPZXPFBBY-NSHDSACASA-N 1 0 309.391 1.755 20 5 DDBDRO C[NH+](C)CCN(Cc1cccs1)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000152831268 407698202 /nfs/dbraw/zinc/69/82/02/407698202.db2.gz KXXZWAVLQUYFPZ-UHFFFAOYSA-N 1 0 323.378 1.583 20 5 DDBDRO C[N@@H+](CCc1ccccn1)CCn1cc([N+](=O)[O-])ccc1=O ZINC000152972106 407726137 /nfs/dbraw/zinc/72/61/37/407726137.db2.gz DEJKAMYDUDRJQM-UHFFFAOYSA-N 1 0 302.334 1.326 20 5 DDBDRO CCc1n[nH]c(C(=O)NC[C@@H](C)C[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000171804006 407770860 /nfs/dbraw/zinc/77/08/60/407770860.db2.gz QMJMOQQHHCHOQX-SNVBAGLBSA-N 1 0 309.370 1.342 20 5 DDBDRO Cc1c(C(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000272186487 407811016 /nfs/dbraw/zinc/81/10/16/407811016.db2.gz DSIASIYNRAPEJM-VHSXEESVSA-N 1 0 322.321 1.621 20 5 DDBDRO C[N@H+]1CC=C(CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000272269026 407842486 /nfs/dbraw/zinc/84/24/86/407842486.db2.gz RPRBXHLDBFJYPN-UHFFFAOYSA-N 1 0 311.363 1.135 20 5 DDBDRO CC[NH2+][C@H](C)CNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000262432897 407834975 /nfs/dbraw/zinc/83/49/75/407834975.db2.gz FRKSMOBVVXLCER-MRVPVSSYSA-N 1 0 321.786 1.525 20 5 DDBDRO O=C(COc1ccccc1[N+](=O)[O-])NCC[C@H]1CCC[NH2+]C1 ZINC000238006807 407868661 /nfs/dbraw/zinc/86/86/61/407868661.db2.gz IOPSXRCXCFVKJT-GFCCVEGCSA-N 1 0 307.350 1.480 20 5 DDBDRO C[NH2+][C@H]1CCCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000133932460 407877925 /nfs/dbraw/zinc/87/79/25/407877925.db2.gz GFPZJIDWPWSNAK-AWEZNQCLSA-N 1 0 320.393 1.997 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[N@@H+](C)C[C@@H]1C(C)C ZINC000153770590 407899450 /nfs/dbraw/zinc/89/94/50/407899450.db2.gz RGUCPRBJQNBCNY-CYBMUJFWSA-N 1 0 323.397 1.288 20 5 DDBDRO COc1cc(OCC(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000153539766 407848027 /nfs/dbraw/zinc/84/80/27/407848027.db2.gz FVIZWEQUGQOGKH-PHIMTYICSA-N 1 0 323.349 1.191 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)c1 ZINC000268213358 407952390 /nfs/dbraw/zinc/95/23/90/407952390.db2.gz AZOSRUCRJISFRS-OCCSQVGLSA-N 1 0 320.349 1.972 20 5 DDBDRO C[NH+](C)C1CN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000134943150 407953983 /nfs/dbraw/zinc/95/39/83/407953983.db2.gz VVYVLAWNRCLLKO-UHFFFAOYSA-N 1 0 302.334 1.391 20 5 DDBDRO C[C@@]1(CNC(=O)COc2ccc([N+](=O)[O-])cc2)CCC[NH2+]C1 ZINC000273026317 408025469 /nfs/dbraw/zinc/02/54/69/408025469.db2.gz RFEPNBMLPIKSPU-OAHLLOKOSA-N 1 0 307.350 1.480 20 5 DDBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)NC(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000181821777 408044728 /nfs/dbraw/zinc/04/47/28/408044728.db2.gz JKYIFHZOXKKXGE-SNVBAGLBSA-N 1 0 320.349 1.542 20 5 DDBDRO CC[C@@H]1CN(c2ccc([N+](=O)[O-])c(C)n2)CC[N@@H+]1C[C@H](C)O ZINC000268479687 408064440 /nfs/dbraw/zinc/06/44/40/408064440.db2.gz LCRLUWVUTSKYIN-WCQYABFASA-N 1 0 308.382 1.580 20 5 DDBDRO C[C@@H](CCNc1ncc([N+](=O)[O-])cc1C(N)=O)[NH+]1CCCCC1 ZINC000273151148 408083745 /nfs/dbraw/zinc/08/37/45/408083745.db2.gz LXCCASAOKAVIHK-NSHDSACASA-N 1 0 321.381 1.765 20 5 DDBDRO CC[N@H+](C)CCNS(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000189905577 408130757 /nfs/dbraw/zinc/13/07/57/408130757.db2.gz VUHICZKLWTWARC-UHFFFAOYSA-N 1 0 315.395 1.442 20 5 DDBDRO C[N@H+](CCOCC1CC1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273322226 408151257 /nfs/dbraw/zinc/15/12/57/408151257.db2.gz KJFULLBUGGMGMC-AWEZNQCLSA-N 1 0 324.377 1.693 20 5 DDBDRO C[C@@H]1CCC[C@](CNC(=O)c2[nH]ncc2[N+](=O)[O-])([NH+](C)C)C1 ZINC000137899190 408162045 /nfs/dbraw/zinc/16/20/45/408162045.db2.gz DDEKFQDNLRUUOJ-YGRLFVJLSA-N 1 0 309.370 1.558 20 5 DDBDRO COC(=O)c1cnc(NC[C@H](C)C[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000190169103 408179169 /nfs/dbraw/zinc/17/91/69/408179169.db2.gz FYXNMJKGVAVKNT-NSHDSACASA-N 1 0 322.365 1.920 20 5 DDBDRO C[C@@H]1CC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@@H]1CO ZINC000190422659 408242348 /nfs/dbraw/zinc/24/23/48/408242348.db2.gz AVQZUULGYJRHQY-ZWNOBZJWSA-N 1 0 318.333 1.848 20 5 DDBDRO COc1cc(C[NH2+][C@@H]2C[C@H]3OCCC[C@H]23)c([N+](=O)[O-])cc1O ZINC000190347536 408226696 /nfs/dbraw/zinc/22/66/96/408226696.db2.gz JFQXKNXAVCUNMB-JTNHKYCSSA-N 1 0 308.334 1.966 20 5 DDBDRO CCCC(=O)NC[C@@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176225518 408316030 /nfs/dbraw/zinc/31/60/30/408316030.db2.gz LFIMEOLMMKXXMZ-ZDUSSCGKSA-N 1 0 323.397 1.420 20 5 DDBDRO Cc1nn(C)c(C(=O)N2CCC[N@@H+](C(C)C)CC2)c1[N+](=O)[O-] ZINC000263919450 408314444 /nfs/dbraw/zinc/31/44/44/408314444.db2.gz RYWLEWLSVRIXBG-UHFFFAOYSA-N 1 0 309.370 1.193 20 5 DDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC[C@H]1CCC[NH2+]1 ZINC000166795951 162169591 /nfs/dbraw/zinc/16/95/91/162169591.db2.gz IRSJQKGSFORQMZ-LLVKDONJSA-N 1 0 313.379 1.324 20 5 DDBDRO CC[C@@H](C)[N@H+](C)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000264063691 408359034 /nfs/dbraw/zinc/35/90/34/408359034.db2.gz ABFQRJLITPWJCP-LLVKDONJSA-N 1 0 315.395 1.603 20 5 DDBDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000173540912 162347934 /nfs/dbraw/zinc/34/79/34/162347934.db2.gz FNGKZLMAUCRFSL-CYBMUJFWSA-N 1 0 321.377 1.744 20 5 DDBDRO C[C@H](O)C[N@@H+]1CCN(CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000247377970 408459280 /nfs/dbraw/zinc/45/92/80/408459280.db2.gz VOFRVNBOCMZUAN-KBPBESRZSA-N 1 0 307.394 1.524 20 5 DDBDRO CN(CC[N@H+](C)C1CC1)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000274496609 408427378 /nfs/dbraw/zinc/42/73/78/408427378.db2.gz GXCYHBIROHYNDL-UHFFFAOYSA-N 1 0 320.393 1.873 20 5 DDBDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1c([N+](=O)[O-])cnn1C ZINC000160412473 408482236 /nfs/dbraw/zinc/48/22/36/408482236.db2.gz TZFWIXZZRBKJAF-NSHDSACASA-N 1 0 309.370 1.323 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H](C)C[NH+]2CCCCC2)n1 ZINC000191779808 408490337 /nfs/dbraw/zinc/49/03/37/408490337.db2.gz CZNOLBKBHXVHQW-LBPRGKRZSA-N 1 0 323.397 1.663 20 5 DDBDRO C[NH+](C)C[C@](C)(O)CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000269889582 408461074 /nfs/dbraw/zinc/46/10/74/408461074.db2.gz KCAVNEPSXGYBCC-OAHLLOKOSA-N 1 0 321.333 1.383 20 5 DDBDRO CN(C)c1ncc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)cn1 ZINC000264367530 408461526 /nfs/dbraw/zinc/46/15/26/408461526.db2.gz KVTFTSOTELLWMP-UHFFFAOYSA-N 1 0 301.350 1.783 20 5 DDBDRO CN(CC[N@H+](C)C1CC1)C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000274608515 408467723 /nfs/dbraw/zinc/46/77/23/408467723.db2.gz WATRULPULRMRHN-UHFFFAOYSA-N 1 0 320.393 1.584 20 5 DDBDRO COc1cccc2c1CC[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)C2 ZINC000192445875 408589529 /nfs/dbraw/zinc/58/95/29/408589529.db2.gz USEAOXVWHDBFGU-CYBMUJFWSA-N 1 0 316.361 1.947 20 5 DDBDRO CC1(C)C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC[C@H]1O ZINC000275543105 408595592 /nfs/dbraw/zinc/59/55/92/408595592.db2.gz ZFKCGJCLFBREOE-SWLSCSKDSA-N 1 0 324.377 1.427 20 5 DDBDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000265270503 408599519 /nfs/dbraw/zinc/59/95/19/408599519.db2.gz GLKIWLCSIADWGC-ZDUSSCGKSA-N 1 0 305.378 1.938 20 5 DDBDRO CC[N@@H+]1CCCN(C(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000264600812 408541054 /nfs/dbraw/zinc/54/10/54/408541054.db2.gz DNLFFSRQLICARS-UHFFFAOYSA-N 1 0 320.393 1.951 20 5 DDBDRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)COc3cccc([N+](=O)[O-])c3)C[C@H]12 ZINC000248645733 408609126 /nfs/dbraw/zinc/60/91/26/408609126.db2.gz SKBVMJARGUXAIV-DDTOSNHZSA-N 1 0 305.334 1.169 20 5 DDBDRO COC(=O)[C@@]1(C)CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000177420513 408611056 /nfs/dbraw/zinc/61/10/56/408611056.db2.gz XGIRREKCSLNIMM-HNNXBMFYSA-N 1 0 308.334 1.859 20 5 DDBDRO COC(=O)[C@@]1(C)CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000177445627 408621177 /nfs/dbraw/zinc/62/11/77/408621177.db2.gz AQOGHTZVQQJTKV-HNNXBMFYSA-N 1 0 308.334 1.988 20 5 DDBDRO CC(C)[C@@H](CCO)[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000161908090 408649323 /nfs/dbraw/zinc/64/93/23/408649323.db2.gz KNQNBOMDQQTMKZ-CQSZACIVSA-N 1 0 321.377 1.481 20 5 DDBDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000177552170 408654188 /nfs/dbraw/zinc/65/41/88/408654188.db2.gz IHZBUCZSNFQVHD-STQMWFEESA-N 1 0 321.377 1.963 20 5 DDBDRO C[NH+](C)CCOc1cc(CNc2ccc([N+](=O)[O-])cn2)ccn1 ZINC000270747087 408662487 /nfs/dbraw/zinc/66/24/87/408662487.db2.gz WXQHCKZCPXHVNH-UHFFFAOYSA-N 1 0 317.349 1.937 20 5 DDBDRO C[C@@H]1[NH2+]CCC[C@@H]1[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000193455499 408721025 /nfs/dbraw/zinc/72/10/25/408721025.db2.gz LTMVHCSRBVOWAO-WPRPVWTQSA-N 1 0 317.342 1.153 20 5 DDBDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1c([N+](=O)[O-])cnn1C ZINC000162187826 408677368 /nfs/dbraw/zinc/67/73/68/408677368.db2.gz ZXVLOKSGHZPPDO-GFCCVEGCSA-N 1 0 323.397 1.713 20 5 DDBDRO C[C@H]([NH3+])CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000165895166 408814405 /nfs/dbraw/zinc/81/44/05/408814405.db2.gz MWAAHVMTXSVGQE-LURJTMIESA-N 1 0 302.128 1.434 20 5 DDBDRO CC[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1nccs1 ZINC000185122759 408760741 /nfs/dbraw/zinc/76/07/41/408760741.db2.gz FTHNJMOMPJZHOV-LLVKDONJSA-N 1 0 308.363 1.954 20 5 DDBDRO COC[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000265756987 408771302 /nfs/dbraw/zinc/77/13/02/408771302.db2.gz GITOOJMKOJQUNZ-VXGBXAGGSA-N 1 0 307.350 1.890 20 5 DDBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCO[C@@]3(CCOC3)C2)cc1 ZINC000185156974 408771976 /nfs/dbraw/zinc/77/19/76/408771976.db2.gz HETOECIYCUCGND-INIZCTEOSA-N 1 0 322.361 1.855 20 5 DDBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000290776147 408831315 /nfs/dbraw/zinc/83/13/15/408831315.db2.gz CBBFMGCYMLBKQR-JTQLQIEISA-N 1 0 310.354 1.546 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)CCCCO ZINC000276440202 408858407 /nfs/dbraw/zinc/85/84/07/408858407.db2.gz UIGFDXIRCTZWOL-UHFFFAOYSA-N 1 0 309.366 1.936 20 5 DDBDRO CNC(=O)c1ccc(N2CC[C@]3(CC[N@H+](C)C3)C2)c([N+](=O)[O-])c1 ZINC000291614648 408895287 /nfs/dbraw/zinc/89/52/87/408895287.db2.gz AJALGSFWMRNDGH-INIZCTEOSA-N 1 0 318.377 1.486 20 5 DDBDRO Cc1nc(NCCN2CC[N@@H+](C)C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000281648969 408903123 /nfs/dbraw/zinc/90/31/23/408903123.db2.gz NEZCXOMGCSMXOD-UHFFFAOYSA-N 1 0 307.398 1.736 20 5 DDBDRO C[NH+](C)[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000277263075 408908866 /nfs/dbraw/zinc/90/88/66/408908866.db2.gz XANKXEBASOAPQT-SNVBAGLBSA-N 1 0 307.354 1.009 20 5 DDBDRO CC(C)[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000291730421 408913882 /nfs/dbraw/zinc/91/38/82/408913882.db2.gz JNQUXPVYRWGIOO-LSDHHAIUSA-N 1 0 324.377 1.834 20 5 DDBDRO CCn1nc(C)c([N+](=O)[O-])c1NCCN1CCC([NH+](C)C)CC1 ZINC000192649121 163230770 /nfs/dbraw/zinc/23/07/70/163230770.db2.gz FDYUHJJNQFDNSG-UHFFFAOYSA-N 1 0 324.429 1.558 20 5 DDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000193621991 163261251 /nfs/dbraw/zinc/26/12/51/163261251.db2.gz IOIKFPBAXHVGFH-UPJWGTAASA-N 1 0 318.377 1.415 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H]1C(=O)NC1CC1 ZINC000193962417 163273094 /nfs/dbraw/zinc/27/30/94/163273094.db2.gz JBVNFNUAHZGNLR-CQSZACIVSA-N 1 0 319.361 1.846 20 5 DDBDRO O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000194534720 163287013 /nfs/dbraw/zinc/28/70/13/163287013.db2.gz JDAKNTPQPYMAFP-UHFFFAOYSA-N 1 0 306.322 1.006 20 5 DDBDRO O=C(NCCC[NH2+]Cc1cccnc1)c1ccc([N+](=O)[O-])cc1 ZINC000238048439 163397092 /nfs/dbraw/zinc/39/70/92/163397092.db2.gz MKTGSGNCGIPCFS-UHFFFAOYSA-N 1 0 314.345 1.900 20 5 DDBDRO C[NH+]1CCC(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000277535906 408960889 /nfs/dbraw/zinc/96/08/89/408960889.db2.gz AUXJWNJRSKZLPX-UHFFFAOYSA-N 1 0 317.349 1.429 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H](C)[N@H+](C)C2CC2)n1 ZINC000286332333 408965952 /nfs/dbraw/zinc/96/59/52/408965952.db2.gz BKJHXSYMOLICTC-VIFPVBQESA-N 1 0 308.338 1.671 20 5 DDBDRO CCOc1cc(C[NH2+][C@H]2C(=O)NCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000282308541 409031669 /nfs/dbraw/zinc/03/16/69/409031669.db2.gz KGNFGUIPEMCJKM-IINYFYTJSA-N 1 0 307.350 1.608 20 5 DDBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C1CC[NH+](C)CC1 ZINC000282417274 409051237 /nfs/dbraw/zinc/05/12/37/409051237.db2.gz GLUGXTZOMNJQQL-UHFFFAOYSA-N 1 0 305.378 1.938 20 5 DDBDRO CCc1n[nH]c(C(=O)NC[C@@H](CC(C)C)[NH+](C)C)c1[N+](=O)[O-] ZINC000278448312 409083073 /nfs/dbraw/zinc/08/30/73/409083073.db2.gz GSBCZGXFLPSZAD-SNVBAGLBSA-N 1 0 311.386 1.586 20 5 DDBDRO CN(CC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1)c1ccccc1[N+](=O)[O-] ZINC000293407203 409107105 /nfs/dbraw/zinc/10/71/05/409107105.db2.gz MYGNRJXPVCAXAE-CHWSQXEVSA-N 1 0 318.377 1.241 20 5 DDBDRO C[C@@H]1CN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@H](C)[N@H+]1C ZINC000293547835 409135133 /nfs/dbraw/zinc/13/51/33/409135133.db2.gz YRGMMGYWMMWTJV-BETUJISGSA-N 1 0 320.393 1.582 20 5 DDBDRO COC[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CCCO1 ZINC000279046005 409138202 /nfs/dbraw/zinc/13/82/02/409138202.db2.gz JXKYMGWNARTYRY-SOUVJXGZSA-N 1 0 310.350 1.412 20 5 DDBDRO C[C@@H](C[NH+](C)C)NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000288129980 409150999 /nfs/dbraw/zinc/15/09/99/409150999.db2.gz XHMCJZRWCJFDJL-LBPRGKRZSA-N 1 0 308.382 1.729 20 5 DDBDRO O=C(CC[C@@H]1CC[NH2+]C1)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000261880211 163720660 /nfs/dbraw/zinc/72/06/60/163720660.db2.gz SZRBKNZGPWUILC-GFCCVEGCSA-N 1 0 306.366 1.513 20 5 DDBDRO Cc1cc(C(=O)N2CC[C@@H]3OCCN(C)[C@@H]3C2)cc([N+](=O)[O-])c1 ZINC000283966743 409248459 /nfs/dbraw/zinc/24/84/59/409248459.db2.gz GTPQJUROOYQHRS-CABCVRRESA-N 1 0 319.361 1.448 20 5 DDBDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)CC2 ZINC000284108249 409276378 /nfs/dbraw/zinc/27/63/78/409276378.db2.gz NFLCIBYGDZCHFD-CABZTGNLSA-N 1 0 316.365 1.743 20 5 DDBDRO C[C@H]([NH2+]CC1(C(N)=O)CCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284053093 409266172 /nfs/dbraw/zinc/26/61/72/409266172.db2.gz KKQFQFAWKYNAHA-JTQLQIEISA-N 1 0 306.366 1.873 20 5 DDBDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3cc([N+](=O)[O-])c[nH]c3=O)C2)C1 ZINC000295642030 409359164 /nfs/dbraw/zinc/35/91/64/409359164.db2.gz QUZPNDQGUFOSSN-OAHLLOKOSA-N 1 0 320.349 1.253 20 5 DDBDRO CCOc1cccc(N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)c1[N+](=O)[O-] ZINC000284995657 409392224 /nfs/dbraw/zinc/39/22/24/409392224.db2.gz LREHYTSGIHXJDQ-KBPBESRZSA-N 1 0 321.377 1.903 20 5 DDBDRO CC(C)[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1COC1 ZINC000295524769 409330186 /nfs/dbraw/zinc/33/01/86/409330186.db2.gz UXHVKJXAAKGJDT-CQSZACIVSA-N 1 0 310.350 1.444 20 5 DDBDRO CCC(CC)[C@@H](CNc1nccc(C(N)=O)c1[N+](=O)[O-])[NH+](C)C ZINC000290572757 409449459 /nfs/dbraw/zinc/44/94/59/409449459.db2.gz UKSLFTCTEGSYOK-GFCCVEGCSA-N 1 0 323.397 1.867 20 5 DDBDRO COc1ccc(CN2CCO[C@@]3(CCCOC3)C2)cc1[N+](=O)[O-] ZINC000285464552 409453991 /nfs/dbraw/zinc/45/39/91/409453991.db2.gz ZQUYAFOBSJLPDD-INIZCTEOSA-N 1 0 322.361 1.985 20 5 DDBDRO COCC(=O)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000315551840 164020122 /nfs/dbraw/zinc/02/01/22/164020122.db2.gz NBKFMTUMYVXAAT-UHFFFAOYSA-N 1 0 307.350 1.322 20 5 DDBDRO CNc1c(C(=O)NCC2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000317013685 164025157 /nfs/dbraw/zinc/02/51/57/164025157.db2.gz BMUZJXMYGVMVLF-UHFFFAOYSA-N 1 0 306.366 1.708 20 5 DDBDRO C[C@@H]1[C@H](O)CCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000296447463 409560067 /nfs/dbraw/zinc/56/00/67/409560067.db2.gz WWRDHFHUEVHINU-OSAQELSMSA-N 1 0 310.350 1.180 20 5 DDBDRO CC[N@@H+]1C[C@H](C)N(c2ccc(C(=O)NC)cc2[N+](=O)[O-])C[C@@H]1C ZINC000345167196 409651882 /nfs/dbraw/zinc/65/18/82/409651882.db2.gz XVMKPUBDQJDZCV-RYUDHWBXSA-N 1 0 320.393 1.873 20 5 DDBDRO C[C@@H](N[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)[C@H](C)[NH3+] ZINC000423472828 287065302 /nfs/dbraw/zinc/06/53/02/287065302.db2.gz QJMVVZYNQQDIGL-WDMOLILDSA-N 1 0 303.366 1.743 20 5 DDBDRO CC(C)[NH+](CCCNC(=O)c1cc([N+](=O)[O-])nn1C)C(C)C ZINC000357060385 409827179 /nfs/dbraw/zinc/82/71/79/409827179.db2.gz TYQFFPKELXCBAH-UHFFFAOYSA-N 1 0 311.386 1.567 20 5 DDBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])nn2C)C1 ZINC000357058328 409828801 /nfs/dbraw/zinc/82/88/01/409828801.db2.gz ZTVGJOZOXNFDBN-LLVKDONJSA-N 1 0 309.370 1.132 20 5 DDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357069006 409835792 /nfs/dbraw/zinc/83/57/92/409835792.db2.gz FASJPSDLOUNNQJ-UPJWGTAASA-N 1 0 318.377 1.463 20 5 DDBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000354374215 409806610 /nfs/dbraw/zinc/80/66/10/409806610.db2.gz YUWDZAUKWJWKTG-LBPRGKRZSA-N 1 0 308.382 1.928 20 5 DDBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])nn2C)C[C@H]1C ZINC000357049848 409820586 /nfs/dbraw/zinc/82/05/86/409820586.db2.gz HOLQMOAPOWWGLM-GHMZBOCLSA-N 1 0 309.370 1.273 20 5 DDBDRO O=[N+]([O-])c1cnc(Nc2ccc(N3CCOCC3)nc2)nc1 ZINC000354511644 409909518 /nfs/dbraw/zinc/90/95/18/409909518.db2.gz RGNVWRCCJITUEM-UHFFFAOYSA-N 1 0 302.294 1.360 20 5 DDBDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)c2c([N+](=O)[O-])cnn2C)C[C@@H](C)C1 ZINC000346244106 409870934 /nfs/dbraw/zinc/87/09/34/409870934.db2.gz UNJPEFOYRLLDEA-QJPTWQEYSA-N 1 0 321.381 1.131 20 5 DDBDRO C[C@@H]1CC[C@@H](C)[NH+]1Cc1nc(-c2c([N+](=O)[O-])ncn2C)no1 ZINC000350911927 410013619 /nfs/dbraw/zinc/01/36/19/410013619.db2.gz UZOVTCXTVZJMJV-RKDXNWHRSA-N 1 0 306.326 1.751 20 5 DDBDRO CC[N@@H+]1CC[C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2OC)C1 ZINC000354791076 410090340 /nfs/dbraw/zinc/09/03/40/410090340.db2.gz NURQQYQTHUEEAE-NSHDSACASA-N 1 0 307.350 1.675 20 5 DDBDRO O=C(COc1ccccc1[N+](=O)[O-])NCC[NH+]1CCCCCC1 ZINC000298360148 410195168 /nfs/dbraw/zinc/19/51/68/410195168.db2.gz QFEAHXYZGXSSCI-UHFFFAOYSA-N 1 0 321.377 1.966 20 5 DDBDRO C[C@@H]1CCC[N@H+](CCNC(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000343161008 410198201 /nfs/dbraw/zinc/19/82/01/410198201.db2.gz ARDURVMAHMORDV-CYBMUJFWSA-N 1 0 305.378 1.985 20 5 DDBDRO CC(C)[C@@H](CNc1ncc([N+](=O)[O-])cc1C(N)=O)[NH+]1CCCC1 ZINC000298389989 410210454 /nfs/dbraw/zinc/21/04/54/410210454.db2.gz DJMADPLWZYLGLL-CYBMUJFWSA-N 1 0 321.381 1.621 20 5 DDBDRO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)[C@@H]1C ZINC000346997053 410300138 /nfs/dbraw/zinc/30/01/38/410300138.db2.gz CBNQOEATZXNIOC-ZYHUDNBSSA-N 1 0 308.334 1.987 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@H](C)[C@H](O)C1 ZINC000351945776 410357269 /nfs/dbraw/zinc/35/72/69/410357269.db2.gz ULEJACICEDUGJC-GXFFZTMASA-N 1 0 323.349 1.245 20 5 DDBDRO C[C@H]1[C@@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])CCC[N@@H+]1C ZINC000343451723 410465150 /nfs/dbraw/zinc/46/51/50/410465150.db2.gz OLEBVOQRUXOEFW-STQMWFEESA-N 1 0 321.377 1.963 20 5 DDBDRO C[C@]12CCC[N@@H+]1C[C@H](c1noc(-c3ccc([N+](=O)[O-])[nH]3)n1)OC2 ZINC000347343732 410484700 /nfs/dbraw/zinc/48/47/00/410484700.db2.gz SSYNBEYMYRCTFS-QMTHXVAHSA-N 1 0 319.321 1.899 20 5 DDBDRO CNC(=O)c1ccc(N[C@@H]2CCC[N@H+](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000343596269 410560466 /nfs/dbraw/zinc/56/04/66/410560466.db2.gz GVJTXWZAQRMWTG-ZYHUDNBSSA-N 1 0 306.366 1.849 20 5 DDBDRO C[C@@H](CC[NH+](C)C)Nc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000301116552 410657788 /nfs/dbraw/zinc/65/77/88/410657788.db2.gz VPDAFYMCBASHEI-VIFPVBQESA-N 1 0 305.338 1.996 20 5 DDBDRO COC(=O)COc1ccc(C[N@@H+]2CC[C@@](C)(O)C2)cc1[N+](=O)[O-] ZINC000355762813 410683285 /nfs/dbraw/zinc/68/32/85/410683285.db2.gz TTZKHGGXFZLWHU-OAHLLOKOSA-N 1 0 324.333 1.103 20 5 DDBDRO CC[C@]1(O)CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000337437486 410784470 /nfs/dbraw/zinc/78/44/70/410784470.db2.gz XWHIESPGWUSQBO-HNNXBMFYSA-N 1 0 307.350 1.770 20 5 DDBDRO CN(C(=O)Cc1ccccc1[N+](=O)[O-])[C@@H]1C[NH+]2CCC1CC2 ZINC000347910703 410789218 /nfs/dbraw/zinc/78/92/18/410789218.db2.gz DCWXSGTZAXMBAM-OAHLLOKOSA-N 1 0 303.362 1.690 20 5 DDBDRO C[C@H]1C[N@H+](C)CCN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000330676362 410870510 /nfs/dbraw/zinc/87/05/10/410870510.db2.gz UHCPHSOIBNHLIM-NSHDSACASA-N 1 0 317.349 1.781 20 5 DDBDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cc([N+](=O)[O-])nn1C ZINC000356451578 411039047 /nfs/dbraw/zinc/03/90/47/411039047.db2.gz WTHBDLYEHCOUTL-TUAOUCFPSA-N 1 0 323.397 1.425 20 5 DDBDRO COc1c[nH+]ccc1N1CCN(c2c([N+](=O)[O-])ncn2C)CC1 ZINC000360257601 411115608 /nfs/dbraw/zinc/11/56/08/411115608.db2.gz LLLZDDNWCXJLPN-UHFFFAOYSA-N 1 0 318.337 1.059 20 5 DDBDRO C[C@H](NC(=O)N1CCOC2(C[NH2+]C2)C1)c1cccc([N+](=O)[O-])c1 ZINC000417128018 225218395 /nfs/dbraw/zinc/21/83/95/225218395.db2.gz HIDZTWNUZDOXBD-NSHDSACASA-N 1 0 320.349 1.040 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NCCC[NH2+]C1CC1 ZINC000417190331 225239327 /nfs/dbraw/zinc/23/93/27/225239327.db2.gz YCNVGTPJVIMAJT-UHFFFAOYSA-N 1 0 322.365 1.545 20 5 DDBDRO C[C@H]1C[C@H](NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000418615687 225828807 /nfs/dbraw/zinc/82/88/07/225828807.db2.gz YEQLGWNXMMWLCB-GXTWGEPZSA-N 1 0 320.393 1.919 20 5 DDBDRO [NH3+]C[C@@H]1CCCN(C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C1 ZINC000297331153 227018509 /nfs/dbraw/zinc/01/85/09/227018509.db2.gz HSVZNAJABAVGCH-QMMMGPOBSA-N 1 0 321.362 1.410 20 5 DDBDRO COc1ccc(C[C@@](C)([NH3+])CNc2ccncc2[N+](=O)[O-])cc1 ZINC000361045744 418572792 /nfs/dbraw/zinc/57/27/92/418572792.db2.gz MLZFIMIZFIYOST-MRXNPFEDSA-N 1 0 316.361 1.792 20 5 DDBDRO C[N@@H+]1CCCC12CCN(c1ncc([N+](=O)[O-])cc1C(N)=O)CC2 ZINC000374983582 418584184 /nfs/dbraw/zinc/58/41/84/418584184.db2.gz CXLGBAYVCOOHRM-UHFFFAOYSA-N 1 0 319.365 1.153 20 5 DDBDRO CCCC[N@H+](C)CCNc1nc(C)cc(C(=O)OC)c1[N+](=O)[O-] ZINC000342123969 418627056 /nfs/dbraw/zinc/62/70/56/418627056.db2.gz HZXIFXWWJRHSKX-UHFFFAOYSA-N 1 0 324.381 2.229 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000361630096 418693513 /nfs/dbraw/zinc/69/35/13/418693513.db2.gz SILWVMMRZGCPMN-RYUDHWBXSA-N 1 0 319.361 1.960 20 5 DDBDRO COC(=O)C[C@]1([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CCOC1 ZINC000361740265 418703858 /nfs/dbraw/zinc/70/38/58/418703858.db2.gz HDMAIKLHBFDECB-DQOPKJQZSA-N 1 0 320.345 1.920 20 5 DDBDRO Cc1ccc(S(=O)(=O)N[C@@H]2CC[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000382455457 418730551 /nfs/dbraw/zinc/73/05/51/418730551.db2.gz ITDWIVGONGLNTN-WDEREUQCSA-N 1 0 313.379 1.309 20 5 DDBDRO COc1cc(C(=O)N[C@H](CC[NH3+])C(F)F)ccc1[N+](=O)[O-] ZINC000383521855 418733110 /nfs/dbraw/zinc/73/31/10/418733110.db2.gz VPPUFBKYCHIXAO-MRVPVSSYSA-N 1 0 303.265 1.316 20 5 DDBDRO COc1cc(C(=O)N(C)C2(C[NH3+])CCC2)c([N+](=O)[O-])cc1OC ZINC000385331888 418735981 /nfs/dbraw/zinc/73/59/81/418735981.db2.gz KPXOZCRMAUIZIL-UHFFFAOYSA-N 1 0 323.349 1.565 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)N2CCN(C)[C@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC000408092749 418787290 /nfs/dbraw/zinc/78/72/90/418787290.db2.gz ZRAIIPQQDYTWGJ-NXEZZACHSA-N 1 0 309.370 1.606 20 5 DDBDRO C[NH+](C)[C@@H]1CCCN(c2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000365227569 418842994 /nfs/dbraw/zinc/84/29/94/418842994.db2.gz FZFNNUSTHWYIMC-LLVKDONJSA-N 1 0 304.354 1.558 20 5 DDBDRO Nc1c(C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)cc(F)cc1[N+](=O)[O-] ZINC000365252310 418846021 /nfs/dbraw/zinc/84/60/21/418846021.db2.gz VTONBAKPRCVPRS-LDYMZIIASA-N 1 0 308.313 1.140 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@@](O)(C2CC2)C1 ZINC000365838409 418914045 /nfs/dbraw/zinc/91/40/45/418914045.db2.gz NVNCRWPYYQOHNM-INIZCTEOSA-N 1 0 319.361 1.689 20 5 DDBDRO C[C@H]1C[C@H](CO)C[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000420952401 419380926 /nfs/dbraw/zinc/38/09/26/419380926.db2.gz XWDXCUIEEUJJLA-RYUDHWBXSA-N 1 0 322.361 1.912 20 5 DDBDRO C[C@@H]1[C@H](CO)CCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000412079913 419635392 /nfs/dbraw/zinc/63/53/92/419635392.db2.gz LKJRHFUZRYJXID-MFKMUULPSA-N 1 0 307.350 1.287 20 5 DDBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NC[C@@H]1CCC[NH2+]1 ZINC000414849440 419839396 /nfs/dbraw/zinc/83/93/96/419839396.db2.gz RDZCEQFAKJFAQO-YPMHNXCESA-N 1 0 306.366 1.654 20 5 DDBDRO Cc1c(NC(=O)[C@@H](C)N2CC[C@@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000430917289 228974929 /nfs/dbraw/zinc/97/49/29/228974929.db2.gz JMJZLGDZPVYVJC-NEPJUHHUSA-N 1 0 306.366 1.511 20 5 DDBDRO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N[C@H]1CC[NH2+]C1 ZINC000414942940 419883104 /nfs/dbraw/zinc/88/31/04/419883104.db2.gz DUHYWEKHYMTJEI-ZETCQYMHSA-N 1 0 316.264 1.680 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H]1CCOC[C@H]1C ZINC000433154686 229163018 /nfs/dbraw/zinc/16/30/18/229163018.db2.gz UJHCTEAZHQYVQN-NEPJUHHUSA-N 1 0 307.350 1.856 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1CNC[C@H]1C[NH2+]CCCO1 ZINC000415044608 419923945 /nfs/dbraw/zinc/92/39/45/419923945.db2.gz SJESNSYMXJFEAW-CQSZACIVSA-N 1 0 309.366 1.462 20 5 DDBDRO Nc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000434419297 229294228 /nfs/dbraw/zinc/29/42/28/229294228.db2.gz KIHBQOVTGCKKCK-NSHDSACASA-N 1 0 319.365 1.319 20 5 DDBDRO CN(Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C[C@@H](O)C[NH3+] ZINC000415057991 419925506 /nfs/dbraw/zinc/92/55/06/419925506.db2.gz QTWXXCUYWSMXNS-ZDUSSCGKSA-N 1 0 305.334 1.606 20 5 DDBDRO C[C@@H]([NH3+])c1ccc(CNC(=O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000429470800 420018965 /nfs/dbraw/zinc/01/89/65/420018965.db2.gz FWJVVRKKCOMVRG-SNVBAGLBSA-N 1 0 303.322 1.127 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](C[NH3+])CC(C)C ZINC000415420089 420056698 /nfs/dbraw/zinc/05/66/98/420056698.db2.gz AMUDRKXAJOEVDY-NSHDSACASA-N 1 0 322.365 1.331 20 5 DDBDRO COc1cc(C(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)cc([N+](=O)[O-])c1C ZINC000423503974 420064465 /nfs/dbraw/zinc/06/44/65/420064465.db2.gz NFRKKDUUSLZMFN-ZJUUUORDSA-N 1 0 307.350 1.734 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[NH2+][C@@H]2C)c1 ZINC000423601273 420094677 /nfs/dbraw/zinc/09/46/77/420094677.db2.gz GLCUNPFTCWCKEM-MFKMUULPSA-N 1 0 307.350 1.864 20 5 DDBDRO COC[C@@]1(CNC(=O)Cc2cccc([N+](=O)[O-])c2C)CCC[NH2+]1 ZINC000423635200 420108680 /nfs/dbraw/zinc/10/86/80/420108680.db2.gz ORNKUQOCPWMKDC-INIZCTEOSA-N 1 0 321.377 1.331 20 5 DDBDRO O=C(C[C@@H]1C[NH2+]CCO1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423724264 420142372 /nfs/dbraw/zinc/14/23/72/420142372.db2.gz MQRKSRVTDLWOHP-CQSZACIVSA-N 1 0 319.361 1.464 20 5 DDBDRO C[C@]1(CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CCC[NH2+]C1 ZINC000415575824 420115818 /nfs/dbraw/zinc/11/58/18/420115818.db2.gz VEHMHZDOLNWQBC-HNNXBMFYSA-N 1 0 320.349 1.039 20 5 DDBDRO COCC[C@@]1(C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)CC[NH2+]C1 ZINC000423724265 420142597 /nfs/dbraw/zinc/14/25/97/420142597.db2.gz MQZKWOVZTOOJPB-HNNXBMFYSA-N 1 0 323.349 1.558 20 5 DDBDRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)Nc3cc(F)cc([N+](=O)[O-])c3)C[C@@H]12 ZINC000415636721 420130722 /nfs/dbraw/zinc/13/07/22/420130722.db2.gz YJEOYJUVYJTGQF-BZHVJNSISA-N 1 0 308.313 1.935 20 5 DDBDRO C[C@@H]1CCCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]1C[NH3+] ZINC000420290192 420184906 /nfs/dbraw/zinc/18/49/06/420184906.db2.gz LMSPBEDFMLCXRQ-DOMZBBRYSA-N 1 0 320.393 1.983 20 5 DDBDRO C[C@@H]([NH3+])C1CCN([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000430921134 420206511 /nfs/dbraw/zinc/20/65/11/420206511.db2.gz XDKWZGBCBCWHOF-VXGBXAGGSA-N 1 0 320.393 1.981 20 5 DDBDRO C[C@H]1CN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC[C@H]1[NH3+] ZINC000430929734 420210544 /nfs/dbraw/zinc/21/05/44/420210544.db2.gz QAGWQESPYJLSLP-SMDDNHRTSA-N 1 0 306.366 1.227 20 5 DDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000420330687 420215009 /nfs/dbraw/zinc/21/50/09/420215009.db2.gz LNYSJIQWYPUKCL-IAQYHMDHSA-N 1 0 324.356 1.555 20 5 DDBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)CC(C)(C)C[NH3+] ZINC000430582496 420145220 /nfs/dbraw/zinc/14/52/20/420145220.db2.gz KTAIGPYPQCEQKF-NSHDSACASA-N 1 0 308.382 1.839 20 5 DDBDRO COc1cc(C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)cc([N+](=O)[O-])c1C ZINC000423735308 420148254 /nfs/dbraw/zinc/14/82/54/420148254.db2.gz PDJBDUDUFWMBKJ-MFKMUULPSA-N 1 0 305.334 1.346 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)CC(C)(C)C[NH3+] ZINC000430596021 420150659 /nfs/dbraw/zinc/15/06/59/420150659.db2.gz WCZKSXVAOBLKEK-UHFFFAOYSA-N 1 0 324.381 1.459 20 5 DDBDRO [NH3+]C[C@@H]1CCCN1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000430591910 420151745 /nfs/dbraw/zinc/15/17/45/420151745.db2.gz PBZGJYCCXOYJMN-JTQLQIEISA-N 1 0 312.757 1.610 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000415790307 420177579 /nfs/dbraw/zinc/17/75/79/420177579.db2.gz RLWCQQMYWRVKSK-UWVGGRQHSA-N 1 0 308.338 1.002 20 5 DDBDRO C[C@@H]1CN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@@H](C)[NH2+]1 ZINC000430955277 420221359 /nfs/dbraw/zinc/22/13/59/420221359.db2.gz LTGKQVDEEVMUGI-VXGBXAGGSA-N 1 0 318.377 1.166 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC[C@H](C[NH3+])C2)c1 ZINC000420414255 420270261 /nfs/dbraw/zinc/27/02/61/420270261.db2.gz GVUJPSHEDSUHON-LLVKDONJSA-N 1 0 313.379 1.181 20 5 DDBDRO CCc1ccccc1[C@H]([NH3+])CNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000423939040 420276571 /nfs/dbraw/zinc/27/65/71/420276571.db2.gz LIWPDFZNYCPDDO-LLVKDONJSA-N 1 0 303.322 1.310 20 5 DDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCCC[C@H]2CCC[NH2+]2)cc1 ZINC000420437322 420285867 /nfs/dbraw/zinc/28/58/67/420285867.db2.gz CHACOVNUZHVJMQ-LLVKDONJSA-N 1 0 313.379 1.405 20 5 DDBDRO Cc1cc(C)c(S(=O)(=O)N(C)C2CC([NH3+])C2)cc1[N+](=O)[O-] ZINC000420475675 420308425 /nfs/dbraw/zinc/30/84/25/420308425.db2.gz XFFUNFNPOQAEIS-UHFFFAOYSA-N 1 0 313.379 1.322 20 5 DDBDRO C[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)C[C@@]1(C)C[NH3+] ZINC000423983673 420291158 /nfs/dbraw/zinc/29/11/58/420291158.db2.gz NJXSZUYMSUKKNE-XLKFXECMSA-N 1 0 310.329 1.373 20 5 DDBDRO [NH3+][C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C[C@H]1c1cccc(F)c1 ZINC000424010000 420304830 /nfs/dbraw/zinc/30/48/30/420304830.db2.gz KLHVSUQOQORWQD-QWHCGFSZSA-N 1 0 318.308 1.629 20 5 DDBDRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(c2sccc2[N+](=O)[O-])CC1 ZINC000302042547 230057955 /nfs/dbraw/zinc/05/79/55/230057955.db2.gz WXOOLKDFBFPMRG-NSHDSACASA-N 1 0 324.406 1.575 20 5 DDBDRO [NH3+]CC[C@H](NC(=O)NCCc1ccccc1[N+](=O)[O-])C(F)F ZINC000417762448 420470817 /nfs/dbraw/zinc/47/08/17/420470817.db2.gz IRVJBKQTZZHNAB-JTQLQIEISA-N 1 0 316.308 1.419 20 5 DDBDRO C[NH+](C)C1(CNC(=O)Cc2ccc([N+](=O)[O-])cc2F)CCC1 ZINC000438508773 420457666 /nfs/dbraw/zinc/45/76/66/420457666.db2.gz DKYUGCQJTHGZBS-UHFFFAOYSA-N 1 0 309.341 1.877 20 5 DDBDRO CCOC(=O)c1ccnc(N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)c1[N+](=O)[O-] ZINC000450779375 420529235 /nfs/dbraw/zinc/52/92/35/420529235.db2.gz NIOATPXYNUQDDN-CMPLNLGQSA-N 1 0 320.349 1.307 20 5 DDBDRO C[C@H]1CN(C(=O)NCCc2ccccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000417767710 420472963 /nfs/dbraw/zinc/47/29/63/420472963.db2.gz QUTOWININVZWTJ-AAEUAGOBSA-N 1 0 306.366 1.516 20 5 DDBDRO O=[N+]([O-])c1cc(Cl)cnc1NC[C@H]1CCCC[N@H+]1CCO ZINC000450619984 420499791 /nfs/dbraw/zinc/49/97/91/420499791.db2.gz UVUQPTZGNXVGQS-LLVKDONJSA-N 1 0 314.773 1.902 20 5 DDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H]([NH2+]C)C1 ZINC000440362344 420570402 /nfs/dbraw/zinc/57/04/02/420570402.db2.gz YCEIPHNGNNXBAI-NSHDSACASA-N 1 0 313.379 1.140 20 5 DDBDRO O=C1CC[C@H](C[N@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)CCN1 ZINC000451048466 420587952 /nfs/dbraw/zinc/58/79/52/420587952.db2.gz KAMLRUBOUZGQKL-LBPRGKRZSA-N 1 0 319.361 1.706 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@H](C[NH3+])C[C@@H]1C ZINC000442765260 420712045 /nfs/dbraw/zinc/71/20/45/420712045.db2.gz IVBCOTSUQSJOCM-QWRGUYRKSA-N 1 0 322.365 1.211 20 5 DDBDRO C[NH+](C)CC(C)(C)NCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000453599959 420734726 /nfs/dbraw/zinc/73/47/26/420734726.db2.gz QQYMWIBSDURSMM-UHFFFAOYSA-N 1 0 309.366 1.891 20 5 DDBDRO CC[NH+]1CCN(CC(C)(C)NC(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000454347912 420844039 /nfs/dbraw/zinc/84/40/39/420844039.db2.gz TYBCKMFMBDTFAO-UHFFFAOYSA-N 1 0 323.397 1.069 20 5 DDBDRO C[C@@H]1CN(C(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])[C@H](C)C[NH2+]1 ZINC000493269287 420804962 /nfs/dbraw/zinc/80/49/62/420804962.db2.gz QBRLMXRXHKWRGY-DPIUTZRQSA-N 1 0 307.325 1.956 20 5 DDBDRO C[C@H]([NH2+][C@H](CO)[C@@H]1CCCO1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000447920124 420820222 /nfs/dbraw/zinc/82/02/22/420820222.db2.gz GTNKNGKYGQVAOI-GDLCADMTSA-N 1 0 323.349 1.051 20 5 DDBDRO C[C@]1(CO)CCC[C@H]1[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000493652094 420906653 /nfs/dbraw/zinc/90/66/53/420906653.db2.gz FBDDAMUYLBAPMB-APHBMKBZSA-N 1 0 324.377 1.475 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCS1(=O)=O ZINC000449189796 420965801 /nfs/dbraw/zinc/96/58/01/420965801.db2.gz MUKINCWSOLZKLK-YPMHNXCESA-N 1 0 312.391 1.693 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000449208220 420969610 /nfs/dbraw/zinc/96/96/10/420969610.db2.gz RBSXFIZXWPCDPH-STQMWFEESA-N 1 0 318.377 1.760 20 5 DDBDRO O=C(/C=C/c1ccccc1[N+](=O)[O-])N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000493769057 420936698 /nfs/dbraw/zinc/93/66/98/420936698.db2.gz FFXNYCFDPKHBHS-GPAKFWEMSA-N 1 0 301.346 1.961 20 5 DDBDRO C[C@H]1C[C@@H]1C[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000488414978 421088549 /nfs/dbraw/zinc/08/85/49/421088549.db2.gz GCWMTSBBMIQQMS-WDEREUQCSA-N 1 0 313.379 1.119 20 5 DDBDRO C[C@H]1[C@@H](CO)CC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000488717123 421108166 /nfs/dbraw/zinc/10/81/66/421108166.db2.gz KGBTXMSTHOJIKE-CMPLNLGQSA-N 1 0 318.333 1.848 20 5 DDBDRO CNc1nc(C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000455838567 421067845 /nfs/dbraw/zinc/06/78/45/421067845.db2.gz BNYBCQZIDVJHEY-WDEREUQCSA-N 1 0 321.381 1.634 20 5 DDBDRO CO[C@H]1C[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1OC ZINC000488097402 421069611 /nfs/dbraw/zinc/06/96/11/421069611.db2.gz UHGOGQASTJXRFN-KBPBESRZSA-N 1 0 323.349 1.269 20 5 DDBDRO Cc1ccc(S(=O)(=O)NC[C@H](C)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000490049845 421187280 /nfs/dbraw/zinc/18/72/80/421187280.db2.gz XAFAAJKEBLYOTO-NSHDSACASA-N 1 0 315.395 1.379 20 5 DDBDRO CC[NH+](CC)CCO[C@@H]1CCN(c2ncc([N+](=O)[O-])c(C)n2)C1 ZINC000450365066 421189560 /nfs/dbraw/zinc/18/95/60/421189560.db2.gz MXPINYZLFQUKPH-CYBMUJFWSA-N 1 0 323.397 1.630 20 5 DDBDRO C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccc(=O)[nH]n1 ZINC000560521312 421277602 /nfs/dbraw/zinc/27/76/02/421277602.db2.gz CNXCXTMTLYNNGU-JTQLQIEISA-N 1 0 304.306 1.820 20 5 DDBDRO O=C(NCCN1CCc2sccc2C1)c1c[nH]nc1[N+](=O)[O-] ZINC000548084690 421398232 /nfs/dbraw/zinc/39/82/32/421398232.db2.gz LLCQNAXTAQMLRT-UHFFFAOYSA-N 1 0 321.362 1.168 20 5 DDBDRO CC(C)(C)OCC[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000515832520 421518523 /nfs/dbraw/zinc/51/85/23/421518523.db2.gz YZEAISUORQZZIH-ZDUSSCGKSA-N 1 0 312.366 1.739 20 5 DDBDRO CNc1nc(C(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000515130796 421480094 /nfs/dbraw/zinc/48/00/94/421480094.db2.gz MLQQIIPQAFRTSB-LLVKDONJSA-N 1 0 321.381 1.492 20 5 DDBDRO C[C@@H](CNC(=O)c1c[nH]nc1[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC000554856890 421664330 /nfs/dbraw/zinc/66/43/30/421664330.db2.gz DFJDJLAHFOSSTR-NSHDSACASA-N 1 0 317.349 1.568 20 5 DDBDRO CCCc1n[nH]c(C(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000518878253 421670692 /nfs/dbraw/zinc/67/06/92/421670692.db2.gz ITSNTNQEORYLLY-NSHDSACASA-N 1 0 323.397 1.731 20 5 DDBDRO CC(C)[N@H+](C)CC1CCN(C(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC000540116242 421760936 /nfs/dbraw/zinc/76/09/36/421760936.db2.gz MFONVURWBCCDIR-UHFFFAOYSA-N 1 0 323.397 1.521 20 5 DDBDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000540932522 421777554 /nfs/dbraw/zinc/77/75/54/421777554.db2.gz CPYOISRWWXLIBB-NSHDSACASA-N 1 0 307.350 1.761 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000574176085 422070380 /nfs/dbraw/zinc/07/03/80/422070380.db2.gz OXCUFRSITIVMGZ-LBPRGKRZSA-N 1 0 321.381 1.318 20 5 DDBDRO Cn1nncc1C[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000577774888 422426464 /nfs/dbraw/zinc/42/64/64/422426464.db2.gz CINYSUKRCWBONZ-UHFFFAOYSA-N 1 0 300.322 1.537 20 5 DDBDRO C[NH2+][C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 ZINC000578069064 422489843 /nfs/dbraw/zinc/48/98/43/422489843.db2.gz LGXJUIWFIVONBS-SNVBAGLBSA-N 1 0 321.333 1.190 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC000579194839 422721789 /nfs/dbraw/zinc/72/17/89/422721789.db2.gz BDKXQNXVVVDEBU-CYBMUJFWSA-N 1 0 307.350 1.721 20 5 DDBDRO COCC[N@@H+]1CCCN(C(=O)c2cc(C)cc([N+](=O)[O-])c2)CC1 ZINC000299236948 271009031 /nfs/dbraw/zinc/00/90/31/271009031.db2.gz OFNKKUDHVNAWBS-UHFFFAOYSA-N 1 0 321.377 1.698 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000341682534 271167431 /nfs/dbraw/zinc/16/74/31/271167431.db2.gz CRDNIDLTWVSBOY-ZIAGYGMSSA-N 1 0 321.377 1.505 20 5 DDBDRO Cc1cnn(CC[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000341908865 271243706 /nfs/dbraw/zinc/24/37/06/271243706.db2.gz GHHWRWOIDPRLCB-ZDUSSCGKSA-N 1 0 316.365 1.681 20 5 DDBDRO C[C@@H]1[C@H](NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CCC[N@@H+]1C ZINC000344414495 272019354 /nfs/dbraw/zinc/01/93/54/272019354.db2.gz AVDLWQIOGHIUDB-ZWNOBZJWSA-N 1 0 320.349 1.132 20 5 DDBDRO Cn1c(Sc2ccc([N+](=O)[O-])nc2)nnc1[C@@H]1CCC[NH2+]C1 ZINC000344437008 272026382 /nfs/dbraw/zinc/02/63/82/272026382.db2.gz QWILYDCMXOTJNC-SECBINFHSA-N 1 0 320.378 1.737 20 5 DDBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]C[C@@H](O)C(F)F)c1 ZINC000344778294 272116454 /nfs/dbraw/zinc/11/64/54/272116454.db2.gz RGVNAWVHAVCCFC-MRVPVSSYSA-N 1 0 312.219 1.912 20 5 DDBDRO CC[N@@H+]1C[C@H](C)N(C(=O)COc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000345971490 272379835 /nfs/dbraw/zinc/37/98/35/272379835.db2.gz VEPSMEUYDGFAGB-STQMWFEESA-N 1 0 321.377 1.915 20 5 DDBDRO COc1cccc2c1CC[N@H+](CCn1cc([N+](=O)[O-])cn1)CC2 ZINC000193707599 274151319 /nfs/dbraw/zinc/15/13/19/274151319.db2.gz MVOPIBYAADTHTQ-UHFFFAOYSA-N 1 0 316.361 1.901 20 5 DDBDRO C[C@@H]1CN(c2c3ccccc3ncc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000487740063 274360749 /nfs/dbraw/zinc/36/07/49/274360749.db2.gz OISMXIVUYPDMPC-GFCCVEGCSA-N 1 0 316.361 1.646 20 5 DDBDRO C[C@@H]1COCC[C@H]1[NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000432235690 274380093 /nfs/dbraw/zinc/38/00/93/274380093.db2.gz LIQYHSSRJQIUKT-KCPJHIHWSA-N 1 0 319.361 1.715 20 5 DDBDRO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261723391 275012322 /nfs/dbraw/zinc/01/23/22/275012322.db2.gz QKRSPVBUCMNKNZ-NXEZZACHSA-N 1 0 309.753 1.930 20 5 DDBDRO CNC(=O)c1ccc(N2C[C@H](C)[NH+](C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000338794066 277017784 /nfs/dbraw/zinc/01/77/84/277017784.db2.gz KLJIWFIEPCGNBQ-QWRGUYRKSA-N 1 0 306.366 1.483 20 5 DDBDRO C[N@@H+]1CCC[C@H]2CN(c3c(C(N)=O)cccc3[N+](=O)[O-])CC[C@H]21 ZINC000420606983 277084456 /nfs/dbraw/zinc/08/44/56/277084456.db2.gz ZBXYWDQTLAGUIX-WCQYABFASA-N 1 0 318.377 1.614 20 5 DDBDRO CO[C@@H]1CCN(C(=O)c2ccc(C)c([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000262365933 277653970 /nfs/dbraw/zinc/65/39/70/277653970.db2.gz WZEDULYJJYPRFT-QWHCGFSZSA-N 1 0 307.350 1.482 20 5 DDBDRO Cc1cc(N2CC(=O)N[C@@H](C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000295723146 278706401 /nfs/dbraw/zinc/70/64/01/278706401.db2.gz LEWDGWWQBPPNMR-JTQLQIEISA-N 1 0 300.318 1.776 20 5 DDBDRO Cc1ccc(S(=O)(=O)N(C)CC(C)(C)C[NH3+])c([N+](=O)[O-])c1 ZINC000440409006 278838778 /nfs/dbraw/zinc/83/87/78/278838778.db2.gz LFOUKJJBHIMBOY-UHFFFAOYSA-N 1 0 315.395 1.509 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCC[N@@H+](C)CC2)c1 ZINC000298473597 281015302 /nfs/dbraw/zinc/01/53/02/281015302.db2.gz UCOUIHQWFVCCDQ-UHFFFAOYSA-N 1 0 321.377 1.836 20 5 DDBDRO CC[C@H]1C[N@H+](CC)CCN1c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000450832980 288285627 /nfs/dbraw/zinc/28/56/27/288285627.db2.gz SGTVFKXGQMRYSA-JTQLQIEISA-N 1 0 307.354 1.009 20 5 DDBDRO CN(C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)C(C)(C)C[NH+]1CCCC1 ZINC000416334618 281890910 /nfs/dbraw/zinc/89/09/10/281890910.db2.gz QMEIUCUCRGVOES-UHFFFAOYSA-N 1 0 322.365 1.642 20 5 DDBDRO COC[C@H](O)CC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447576243 293172299 /nfs/dbraw/zinc/17/22/99/293172299.db2.gz XJLOQSDHBUEQRS-FRRDWIJNSA-N 1 0 312.370 1.262 20 5 DDBDRO C[C@@H]1C[C@H](C[NH3+])CN1S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000126853419 297398603 /nfs/dbraw/zinc/39/86/03/297398603.db2.gz KMIPYVAZXFXNKU-RKDXNWHRSA-N 1 0 317.342 1.092 20 5 DDBDRO COc1ccc(CC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-] ZINC000572759781 304552978 /nfs/dbraw/zinc/55/29/78/304552978.db2.gz QAENUPHXDDYSQZ-BETUJISGSA-N 1 0 319.361 1.499 20 5 DDBDRO CNc1ccc(C(=O)N(CC[NH+](C)C)C2CC2)cc1[N+](=O)[O-] ZINC000572910860 304564404 /nfs/dbraw/zinc/56/44/04/304564404.db2.gz PGOKDXABZBDREV-UHFFFAOYSA-N 1 0 306.366 1.803 20 5 DDBDRO Cn1nc([N+](=O)[O-])cc1C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000357892696 299015024 /nfs/dbraw/zinc/01/50/24/299015024.db2.gz DNRRYTBJENYVDQ-UHFFFAOYSA-N 1 0 307.354 1.075 20 5 DDBDRO [NH3+]C[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)CCO1 ZINC000357960206 299032999 /nfs/dbraw/zinc/03/29/99/299032999.db2.gz CVMGZGNYHHCGEU-NSHDSACASA-N 1 0 317.292 1.356 20 5 DDBDRO CCO[C@@H]1COCC[C@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000362022922 299986828 /nfs/dbraw/zinc/98/68/28/299986828.db2.gz HPIDIZZXBXKCLT-HUUCEWRRSA-N 1 0 310.350 1.757 20 5 DDBDRO COc1cc(CN2CCOC[C@H]2C[C@H](C)O)ccc1[N+](=O)[O-] ZINC000362276584 300041802 /nfs/dbraw/zinc/04/18/02/300041802.db2.gz CUPSXDBUDQJETG-WCQYABFASA-N 1 0 310.350 1.575 20 5 DDBDRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000362444038 300064468 /nfs/dbraw/zinc/06/44/68/300064468.db2.gz BRXQEAZRXZLQIJ-BXUZGUMPSA-N 1 0 306.366 1.321 20 5 DDBDRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccccc1[N+](=O)[O-] ZINC000363198071 300229560 /nfs/dbraw/zinc/22/95/60/300229560.db2.gz YZGJWVLRKDKTSD-NEPJUHHUSA-N 1 0 305.334 1.188 20 5 DDBDRO Cc1cc(C2=CCN(C(=O)C[NH+](C)C)CC2)cc([N+](=O)[O-])c1N ZINC000370067852 301269890 /nfs/dbraw/zinc/26/98/90/301269890.db2.gz QYHNKGLJDZYDMS-UHFFFAOYSA-N 1 0 318.377 1.663 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@@]3(CCCCO3)C2)c1 ZINC000370095053 301274838 /nfs/dbraw/zinc/27/48/38/301274838.db2.gz RDARFGGVVWUZON-CABCVRRESA-N 1 0 324.381 1.187 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000371241867 301439321 /nfs/dbraw/zinc/43/93/21/301439321.db2.gz DPFIGNOHZCOMMZ-ZDUSSCGKSA-N 1 0 321.381 1.090 20 5 DDBDRO CN(C(=O)C[N@@H+]1CC[C@](O)(C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000377260448 302160706 /nfs/dbraw/zinc/16/07/06/302160706.db2.gz DUQRMUCZLJJDHM-MRXNPFEDSA-N 1 0 319.361 1.404 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)n1 ZINC000377791129 302233977 /nfs/dbraw/zinc/23/39/77/302233977.db2.gz ZDLPFZIAUNBWFZ-GXTWGEPZSA-N 1 0 306.366 1.825 20 5 DDBDRO C[N@@H+]1C[C@H](NC(=O)c2[nH]ncc2[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC000378310168 302310507 /nfs/dbraw/zinc/31/05/07/302310507.db2.gz UHKFMKLURDJEOO-NEPJUHHUSA-N 1 0 315.333 1.146 20 5 DDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000378546580 302333610 /nfs/dbraw/zinc/33/36/10/302333610.db2.gz WQCBQZTZKHDLHZ-MNOVXSKESA-N 1 0 304.350 1.534 20 5 DDBDRO COc1c(C(=O)NC[C@H](C)[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000530473852 303198522 /nfs/dbraw/zinc/19/85/22/303198522.db2.gz GRDXFHRYLYPTJO-NSHDSACASA-N 1 0 307.350 1.818 20 5 DDBDRO COC[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C(C)C ZINC000541595726 303424643 /nfs/dbraw/zinc/42/46/43/303424643.db2.gz XQWLZJSXKUHUEZ-HIFRSBDPSA-N 1 0 312.366 1.595 20 5 DDBDRO COC[C@@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)C(C)C ZINC000542524881 303441440 /nfs/dbraw/zinc/44/14/40/303441440.db2.gz DQOWAOZUNVUYJM-HUUCEWRRSA-N 1 0 321.377 1.961 20 5 DDBDRO COCCN(CC[NH+](C)C)C(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000558690600 303779496 /nfs/dbraw/zinc/77/94/96/303779496.db2.gz LTFJGCSHPNZXMZ-CYBMUJFWSA-N 1 0 323.393 1.735 20 5 DDBDRO Cc1n[nH]c(C2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)n1 ZINC000364013659 307039996 /nfs/dbraw/zinc/03/99/96/307039996.db2.gz GXRMFDCSRDQPER-UHFFFAOYSA-N 1 0 305.342 1.097 20 5 DDBDRO O=[N+]([O-])c1cnn([C@H]2CCC[N@H+](CCOCC(F)F)C2)c1 ZINC000365295490 307064107 /nfs/dbraw/zinc/06/41/07/307064107.db2.gz XSYRZXASBSABMF-JTQLQIEISA-N 1 0 304.297 1.710 20 5 DDBDRO COCCC[N@@H+]1CCCN(c2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000367420220 307092839 /nfs/dbraw/zinc/09/28/39/307092839.db2.gz PHADLZGAGYZYRF-UHFFFAOYSA-N 1 0 308.382 1.726 20 5 DDBDRO Cc1cc(N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)ccc1[N+](=O)[O-] ZINC000368532645 307104491 /nfs/dbraw/zinc/10/44/91/307104491.db2.gz JTZYGJSRWYPFPJ-HZPDHXFCSA-N 1 0 305.378 1.939 20 5 DDBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000368532931 307104584 /nfs/dbraw/zinc/10/45/84/307104584.db2.gz RNWZKSJSNFMRTF-KGLIPLIRSA-N 1 0 306.366 1.334 20 5 DDBDRO CN(C(=O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]CC1 ZINC000372569019 307171105 /nfs/dbraw/zinc/17/11/05/307171105.db2.gz IEDUJMAIWBZMPJ-GFCCVEGCSA-N 1 0 307.350 1.574 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@H]2CCCC[C@H]2N2CCOCC2)n1 ZINC000373115930 307179307 /nfs/dbraw/zinc/17/93/07/307179307.db2.gz PQROPSKTTCWIIV-UONOGXRCSA-N 1 0 323.397 1.024 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@H]2CCCC[C@H]2N2CCOCC2)c1 ZINC000373116042 307179367 /nfs/dbraw/zinc/17/93/67/307179367.db2.gz RFDQRMSYIZDFNL-LSDHHAIUSA-N 1 0 323.397 1.024 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1CC([C@@H]2CCOC2)C1 ZINC000373633738 307193109 /nfs/dbraw/zinc/19/31/09/307193109.db2.gz BWLFPKJQOWIUND-TZMCWYRMSA-N 1 0 322.361 1.303 20 5 DDBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N1CC[NH+]2CCC1CC2 ZINC000375218450 307218730 /nfs/dbraw/zinc/21/87/30/307218730.db2.gz LVMGWWRCDTVTFQ-UHFFFAOYSA-N 1 0 318.377 1.627 20 5 DDBDRO CO[C@@H]1CN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)C[C@H]1O ZINC000396074942 307296683 /nfs/dbraw/zinc/29/66/83/307296683.db2.gz XEGGIEWJTPHURZ-HUUCEWRRSA-N 1 0 303.318 1.647 20 5 DDBDRO COc1ccc(OCCN[C@@H]2CCCC[C@H]2[NH3+])c([N+](=O)[O-])c1 ZINC000424336267 307301413 /nfs/dbraw/zinc/30/14/13/307301413.db2.gz PWHUZBCIRWIZPO-CHWSQXEVSA-N 1 0 309.366 1.842 20 5 DDBDRO C[NH2+]CC1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000563141461 307957899 /nfs/dbraw/zinc/95/78/99/307957899.db2.gz HAVFGBNKDAERLN-UHFFFAOYSA-N 1 0 321.333 1.395 20 5 DDBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CC1CCS(=O)(=O)CC1 ZINC000566474762 308054153 /nfs/dbraw/zinc/05/41/53/308054153.db2.gz IDIQDDDCIWLXSD-CQSZACIVSA-N 1 0 324.402 1.997 20 5 DDBDRO CC[C@@H](Cn1cncn1)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000568143560 308108213 /nfs/dbraw/zinc/10/82/13/308108213.db2.gz YWNSYZLVABSFCK-LBPRGKRZSA-N 1 0 305.338 1.634 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@@H](C)C[C@@H](C)[NH3+])c1 ZINC000569723727 308148978 /nfs/dbraw/zinc/14/89/78/308148978.db2.gz QWFQIFUEFWUBMT-ZJUUUORDSA-N 1 0 315.395 1.616 20 5 DDBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)[C@H]1C[C@]12CC[NH2+]C2 ZINC000573203363 308233802 /nfs/dbraw/zinc/23/38/02/308233802.db2.gz BZOKRYKFOZSCCM-HIFRSBDPSA-N 1 0 305.334 1.089 20 5 DDBDRO CC(C)(C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C(F)(F)F ZINC000573713981 308250629 /nfs/dbraw/zinc/25/06/29/308250629.db2.gz BDMMINNFYYSNGN-SECBINFHSA-N 1 0 310.276 1.330 20 5 DDBDRO C[C@@]1(F)C[NH2+]CCN(c2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000576850594 308344531 /nfs/dbraw/zinc/34/45/31/308344531.db2.gz MNWNVPLUBCVNDN-GFCCVEGCSA-N 1 0 311.342 1.737 20 5 DDBDRO Cc1cc(N2CC[C@@H](CO)[C@@H](O)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000579658163 308547158 /nfs/dbraw/zinc/54/71/58/308547158.db2.gz VXYXXTLJMSUYFP-ZBEGNZNMSA-N 1 0 317.345 1.631 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000579702785 308551179 /nfs/dbraw/zinc/55/11/79/308551179.db2.gz GBXMVVHVWMRIEA-MFKMUULPSA-N 1 0 307.350 1.945 20 5 DDBDRO COc1ccc(CC(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000579702867 308551183 /nfs/dbraw/zinc/55/11/83/308551183.db2.gz PYRYUZPZIRUXHT-YPMHNXCESA-N 1 0 321.377 1.874 20 5 DDBDRO CNc1ccc(C(=O)N2CCC[C@@H](CC[NH3+])C2)cc1[N+](=O)[O-] ZINC000583321289 337315440 /nfs/dbraw/zinc/31/54/40/337315440.db2.gz YDTWICFETGIDAJ-NSHDSACASA-N 1 0 306.366 1.838 20 5 DDBDRO CN1CCC[C@H]([NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1=O ZINC000584505432 337350681 /nfs/dbraw/zinc/35/06/81/337350681.db2.gz JKYYAFCOKREHNR-LBPRGKRZSA-N 1 0 307.354 1.049 20 5 DDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CCO[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000584649409 337380496 /nfs/dbraw/zinc/38/04/96/337380496.db2.gz INEGSBQGXVAGSR-VXGBXAGGSA-N 1 0 309.370 1.029 20 5 DDBDRO C[C@@H]1[C@H](CO)CC[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000488728636 484215636 /nfs/dbraw/zinc/21/56/36/484215636.db2.gz FLAAXYDCEIKKJP-PWSUYJOCSA-N 1 0 318.333 1.848 20 5 DDBDRO Cc1c(CNC(=O)N2CC[C@]3(CC[NH2+]C3)C2)cccc1[N+](=O)[O-] ZINC000418083423 533855763 /nfs/dbraw/zinc/85/57/63/533855763.db2.gz RTUGANZZXSBWPL-INIZCTEOSA-N 1 0 318.377 1.798 20 5 DDBDRO CS[C@@H]1CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000451308206 533978989 /nfs/dbraw/zinc/97/89/89/533978989.db2.gz AFGFPSSGHFQTRT-GXTWGEPZSA-N 1 0 312.391 1.772 20 5 DDBDRO C[C@H]1COCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000432357655 534048249 /nfs/dbraw/zinc/04/82/49/534048249.db2.gz MHQSGRAFIUVTPA-IINYFYTJSA-N 1 0 308.334 1.976 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000452393408 534333578 /nfs/dbraw/zinc/33/35/78/534333578.db2.gz SNAWSYIILAMRKX-AWEZNQCLSA-N 1 0 321.377 1.480 20 5 DDBDRO CC(C)[NH+]1CCC(Nc2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000156836875 519674127 /nfs/dbraw/zinc/67/41/27/519674127.db2.gz RHWWOSRHVCMTDZ-UHFFFAOYSA-N 1 0 304.354 1.922 20 5 DDBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000293528527 534671870 /nfs/dbraw/zinc/67/18/70/534671870.db2.gz UXMDJTVPSVLGDT-SMDDNHRTSA-N 1 0 321.402 1.897 20 5 DDBDRO CC[NH+](CC)CC[C@H](CO)NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000439039796 528167041 /nfs/dbraw/zinc/16/70/41/528167041.db2.gz JLEUMFPRTKKYAO-CYBMUJFWSA-N 1 0 324.381 1.809 20 5 DDBDRO CCOC(=O)c1cc(N2CC[C@H]3C[NH2+]C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000420252181 528179184 /nfs/dbraw/zinc/17/91/84/528179184.db2.gz AQLHSCAYVMVFEW-NWDGAFQWSA-N 1 0 319.361 1.817 20 5 DDBDRO CCOc1cc(C[N@@H+]2CC[C@@](CO)(COC)C2)ccc1[N+](=O)[O-] ZINC000451940466 528264992 /nfs/dbraw/zinc/26/49/92/528264992.db2.gz YHGSAABZGIAQAQ-MRXNPFEDSA-N 1 0 324.377 1.824 20 5 DDBDRO CCCNC(=O)CCC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000411655985 528356465 /nfs/dbraw/zinc/35/64/65/528356465.db2.gz OIQDNSUOCFGIRK-UHFFFAOYSA-N 1 0 323.397 1.735 20 5 DDBDRO CCCCNC(=O)NC(=O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000451110134 528517707 /nfs/dbraw/zinc/51/77/07/528517707.db2.gz ZSHWZDQOMIQPGO-NSHDSACASA-N 1 0 322.365 1.871 20 5 DDBDRO CCCc1n[nH]c(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000331744404 528549744 /nfs/dbraw/zinc/54/97/44/528549744.db2.gz YFZFDLCICWNKPK-JQWIXIFHSA-N 1 0 321.381 1.627 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)c1 ZINC000422840464 528610842 /nfs/dbraw/zinc/61/08/42/528610842.db2.gz BMOPKDCGMVKXMN-ZWNOBZJWSA-N 1 0 307.350 1.803 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)c1 ZINC000422840462 528610980 /nfs/dbraw/zinc/61/09/80/528610980.db2.gz BMOPKDCGMVKXMN-GXFFZTMASA-N 1 0 307.350 1.803 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)c1 ZINC000422825865 528611033 /nfs/dbraw/zinc/61/10/33/528611033.db2.gz QCTREZFQANRHQL-PHIMTYICSA-N 1 0 307.350 1.816 20 5 DDBDRO CC(C)[C@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)C1(CO)CCCC1 ZINC000459547278 529123271 /nfs/dbraw/zinc/12/32/71/529123271.db2.gz VXIGOZNNMLEEEZ-ZDUSSCGKSA-N 1 0 310.398 1.995 20 5 DDBDRO C[NH+](C)C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000736759209 598828380 /nfs/dbraw/zinc/82/83/80/598828380.db2.gz PYOXCGCAMCJLSX-SNVBAGLBSA-N 1 0 317.353 1.163 20 5 DDBDRO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1NCC[NH+]1CCCCC1 ZINC000738357936 598601415 /nfs/dbraw/zinc/60/14/15/598601415.db2.gz IZXVITMMSZUVOH-UHFFFAOYSA-N 1 0 317.353 1.673 20 5 DDBDRO CC[N@H+]1C[C@H](Nc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000821241149 606731218 /nfs/dbraw/zinc/73/12/18/606731218.db2.gz KGNQDKJJBORQJO-CABZTGNLSA-N 1 0 317.353 1.527 20 5 DDBDRO CN(CCC[NH3+])S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000124612388 696744347 /nfs/dbraw/zinc/74/43/47/696744347.db2.gz MFRJIZMDZSVHPQ-UHFFFAOYSA-N 1 0 307.759 1.218 20 5 DDBDRO C[N@H+](C[C@H]1CCOC1)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000176091942 697401137 /nfs/dbraw/zinc/40/11/37/697401137.db2.gz KKWQBNUWVVAQGP-GFCCVEGCSA-N 1 0 317.349 1.779 20 5 DDBDRO COC(=O)C[C@H]1CCC[N@@H+]1Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000178776420 697428800 /nfs/dbraw/zinc/42/88/00/697428800.db2.gz FIHTXOUJZPHTFF-GFCCVEGCSA-N 1 0 318.333 1.930 20 5 DDBDRO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000775032282 697956458 /nfs/dbraw/zinc/95/64/58/697956458.db2.gz GJDKUCVKOVGYKY-RYUDHWBXSA-N 1 0 322.321 1.507 20 5 DDBDRO CC[N@@H+](Cc1cnn(C)c1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776273990 698090974 /nfs/dbraw/zinc/09/09/74/698090974.db2.gz AXGSRGHDSOMRKZ-HNNXBMFYSA-N 1 0 304.350 1.884 20 5 DDBDRO COC(=O)C[C@H]1CCC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776590911 698123745 /nfs/dbraw/zinc/12/37/45/698123745.db2.gz MFRSJDQBNAWYMN-KGLIPLIRSA-N 1 0 308.334 1.656 20 5 DDBDRO COc1cc(C(=O)N2C[C@H](C[NH3+])C[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000261882520 698442916 /nfs/dbraw/zinc/44/29/16/698442916.db2.gz MRHNHXVTHJILSR-UWVGGRQHSA-N 1 0 323.349 1.421 20 5 DDBDRO C[C@H]1CCC[N@@H+]1CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000780864927 698564618 /nfs/dbraw/zinc/56/46/18/698564618.db2.gz HCWFWBSYDGOKMP-NSHDSACASA-N 1 0 313.379 1.357 20 5 DDBDRO COC[C@@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)OC ZINC000781426676 698618729 /nfs/dbraw/zinc/61/87/29/698618729.db2.gz LUOWWKRKVISCQZ-MRXNPFEDSA-N 1 0 323.393 1.815 20 5 DDBDRO C[C@H]1CN(C)C(=O)CN1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000782597686 698747175 /nfs/dbraw/zinc/74/71/75/698747175.db2.gz RPUDKNHPDQLHMZ-LBPRGKRZSA-N 1 0 307.350 1.526 20 5 DDBDRO COc1ccc(C(=O)N2CC[C@]3(CCC[NH2+]3)C2)cc1[N+](=O)[O-] ZINC000424021013 699147391 /nfs/dbraw/zinc/14/73/91/699147391.db2.gz AKQMKTGDCJDFRX-OAHLLOKOSA-N 1 0 305.334 1.572 20 5 DDBDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000794576987 699817269 /nfs/dbraw/zinc/81/72/69/699817269.db2.gz NEBYANBYLKXIPW-MGPQQGTHSA-N 1 0 307.350 1.133 20 5 DDBDRO C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000741720106 699848984 /nfs/dbraw/zinc/84/89/84/699848984.db2.gz DZIJVNBNCURBSR-ONGXEEELSA-N 1 0 322.321 1.716 20 5 DDBDRO Cc1nn(CN2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000795703638 699885249 /nfs/dbraw/zinc/88/52/49/699885249.db2.gz RCXMNHWHKSPJQO-FZMZJTMJSA-N 1 0 307.398 1.924 20 5 DDBDRO C[N@@H+]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000801886759 700350502 /nfs/dbraw/zinc/35/05/02/700350502.db2.gz FMOWRJFEIVLXAY-VIFPVBQESA-N 1 0 310.329 1.388 20 5 DDBDRO C[NH+](C)CCNC(=S)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000756856805 700645245 /nfs/dbraw/zinc/64/52/45/700645245.db2.gz YEKLSWTVFLAKMP-UHFFFAOYSA-N 1 0 308.407 1.389 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CCC23CC[NH+](C)CC3)n1 ZINC000757660897 700667955 /nfs/dbraw/zinc/66/79/55/700667955.db2.gz JLROLAUUTRYVOI-UHFFFAOYSA-N 1 0 307.354 1.122 20 5 DDBDRO C[C@@H]1CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000761066241 700837872 /nfs/dbraw/zinc/83/78/72/700837872.db2.gz BFAHBINMVXCTCI-GFCCVEGCSA-N 1 0 306.366 1.559 20 5 DDBDRO C[C@@H]1CN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC[N@@H+]1C ZINC000761076781 700840452 /nfs/dbraw/zinc/84/04/52/700840452.db2.gz JQYYWKMFXYAWME-GFCCVEGCSA-N 1 0 318.377 1.120 20 5 DDBDRO O=[N+]([O-])c1ccc(CNC[C@@H](O)C[NH+]2CCCC2)cc1Cl ZINC000761520541 700862371 /nfs/dbraw/zinc/86/23/71/700862371.db2.gz BDIYGFQIPFLFDO-GFCCVEGCSA-N 1 0 313.785 1.795 20 5 DDBDRO C[C@@H]1C[C@H](N[C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000766028173 701034769 /nfs/dbraw/zinc/03/47/69/701034769.db2.gz UXWOMRDUAOLYJZ-UIBBOPPKSA-N 1 0 323.393 1.061 20 5 DDBDRO O=[N+]([O-])c1cccc([N+](=O)[O-])c1N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000804505826 701196818 /nfs/dbraw/zinc/19/68/18/701196818.db2.gz KSBSREKTIGWILQ-LLVKDONJSA-N 1 0 304.306 1.954 20 5 DDBDRO C[C@]12C[N@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C[C@@]1(C)C(=O)NC2=O ZINC000879158114 706602000 /nfs/dbraw/zinc/60/20/00/706602000.db2.gz NQTQHNGEDUAWLS-GASCZTMLSA-N 1 0 321.308 1.219 20 5 DDBDRO CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1ccsc1 ZINC000839526349 701725404 /nfs/dbraw/zinc/72/54/04/701725404.db2.gz DYODSCVJVDHVKK-UPJWGTAASA-N 1 0 311.407 1.912 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH+]2CCC3(CC2)OCCCO3)cc1 ZINC000815155456 701817302 /nfs/dbraw/zinc/81/73/02/701817302.db2.gz PSGNMDMGLAJNMH-OAHLLOKOSA-N 1 0 322.361 1.857 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)O[C@@H]2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC000810841891 701859639 /nfs/dbraw/zinc/85/96/39/701859639.db2.gz RCVGLIZQNKHORD-WDEREUQCSA-N 1 0 308.338 1.595 20 5 DDBDRO C[C@H]([NH2+]CCNc1cnccn1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815589221 701900277 /nfs/dbraw/zinc/90/02/77/701900277.db2.gz LUZILVATIFHIQL-JTQLQIEISA-N 1 0 302.338 1.730 20 5 DDBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H](CO)c1cnn(C)c1 ZINC000866310964 706670802 /nfs/dbraw/zinc/67/08/02/706670802.db2.gz HPIAFCDOPFTEGC-QMTHXVAHSA-N 1 0 322.340 1.722 20 5 DDBDRO C[C@@H](C[NH3+])CNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000841856993 702590259 /nfs/dbraw/zinc/59/02/59/702590259.db2.gz VAXHZGAANBVJSK-QMMMGPOBSA-N 1 0 300.746 1.642 20 5 DDBDRO [NH3+]C[C@@H]1CN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CCCO1 ZINC000842509113 702729711 /nfs/dbraw/zinc/72/97/11/702729711.db2.gz HMYZJZJZONQKML-SNVBAGLBSA-N 1 0 313.741 1.438 20 5 DDBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N(C)CCC[NH3+] ZINC000842727681 702763548 /nfs/dbraw/zinc/76/35/48/702763548.db2.gz PUDSLRVXYOYJNN-UHFFFAOYSA-N 1 0 321.786 1.526 20 5 DDBDRO [NH3+][C@H]1CCN(Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000843047559 702807933 /nfs/dbraw/zinc/80/79/33/702807933.db2.gz WLPVSXKAGXCGCD-QMMMGPOBSA-N 1 0 300.156 1.890 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@@H]2CCCN2CCCO)c1 ZINC000843090547 702817017 /nfs/dbraw/zinc/81/70/17/702817017.db2.gz YVEIQYPSSOFPDJ-JKSUJKDBSA-N 1 0 323.393 1.065 20 5 DDBDRO Nc1ccc(-c2noc(CC[C@H]3CC[NH2+]C3)n2)cc1[N+](=O)[O-] ZINC000843169346 702832244 /nfs/dbraw/zinc/83/22/44/702832244.db2.gz CUPZJDFGEQGUEK-VIFPVBQESA-N 1 0 303.322 1.769 20 5 DDBDRO [NH3+]Cc1ccc2c(c1)CCCN2C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000843341902 702862782 /nfs/dbraw/zinc/86/27/82/702862782.db2.gz IAMXSENANMHZOX-UHFFFAOYSA-N 1 0 301.306 1.370 20 5 DDBDRO C[NH2+][C@@H]1CCCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000843348514 702864095 /nfs/dbraw/zinc/86/40/95/702864095.db2.gz IECFHFVCTRSZGE-LLVKDONJSA-N 1 0 324.356 1.746 20 5 DDBDRO CN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C1(C[NH3+])CCC1 ZINC000843389332 702872009 /nfs/dbraw/zinc/87/20/09/702872009.db2.gz OYRYJHKDIGIHHN-UHFFFAOYSA-N 1 0 324.356 1.876 20 5 DDBDRO O=C(N[C@H]1C[NH2+]CCC1(F)F)c1cc(F)ccc1[N+](=O)[O-] ZINC000843484262 702890822 /nfs/dbraw/zinc/89/08/22/702890822.db2.gz NGVQOJVAFIFZRJ-JTQLQIEISA-N 1 0 303.240 1.461 20 5 DDBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCCOCC[NH+](C)C ZINC000843848766 702933047 /nfs/dbraw/zinc/93/30/47/702933047.db2.gz LADNEKAAFNAILP-UHFFFAOYSA-N 1 0 313.329 1.350 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879534847 706711492 /nfs/dbraw/zinc/71/14/92/706711492.db2.gz YXNWXTUQXWJGDI-LEWSCRJBSA-N 1 0 317.345 1.511 20 5 DDBDRO Cc1c(OS(=O)(=O)CCC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000866547231 706726757 /nfs/dbraw/zinc/72/67/57/706726757.db2.gz VUDFMJLBJACFOQ-UHFFFAOYSA-N 1 0 302.352 1.564 20 5 DDBDRO CC(C)C[N@H+](C)CCCNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000846292537 703262691 /nfs/dbraw/zinc/26/26/91/703262691.db2.gz WIZCHAUDIGIBAS-HNNXBMFYSA-N 1 0 323.393 1.722 20 5 DDBDRO C[NH+](C)CC[C@@H](N)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000846673005 703312887 /nfs/dbraw/zinc/31/28/87/703312887.db2.gz ROVKCZIYOZDHLV-GFCCVEGCSA-N 1 0 314.773 1.143 20 5 DDBDRO C[C@H]([NH2+]C[C@H]1CN(C2CC2)C(=O)O1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000848569839 703563844 /nfs/dbraw/zinc/56/38/44/703563844.db2.gz HUZIMJTXFDCCDN-CABZTGNLSA-N 1 0 320.349 1.811 20 5 DDBDRO Nc1nccc(C(=O)OCCC[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000848789608 703589558 /nfs/dbraw/zinc/58/95/58/703589558.db2.gz FFHLCASBMUGINI-UHFFFAOYSA-N 1 0 308.338 1.605 20 5 DDBDRO CC(C)[N@@H+]1CCCC[C@H]1COC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000848790413 703589722 /nfs/dbraw/zinc/58/97/22/703589722.db2.gz MOKNJOJQUUNCBP-NSHDSACASA-N 1 0 322.365 1.992 20 5 DDBDRO COc1ccc(CNC(=[NH2+])NC[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000848996247 703608468 /nfs/dbraw/zinc/60/84/68/703608468.db2.gz NABIORNMJSFPHD-LLVKDONJSA-N 1 0 308.338 1.396 20 5 DDBDRO CCO[C@@H](CNC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)C[NH+](C)C ZINC000831722996 706762792 /nfs/dbraw/zinc/76/27/92/706762792.db2.gz CLASWHCAGKTJCP-DOMZBBRYSA-N 1 0 323.393 1.781 20 5 DDBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](Cn3ccnn3)C2)cc1F ZINC000852313303 704007618 /nfs/dbraw/zinc/00/76/18/704007618.db2.gz GFOQTVRTBYHCGZ-GFCCVEGCSA-N 1 0 305.313 1.848 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000818963296 704036128 /nfs/dbraw/zinc/03/61/28/704036128.db2.gz NTSXJOWQFLYJAS-SQWLQELKSA-N 1 0 305.378 1.845 20 5 DDBDRO C[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@H](C)N1CCOCC1 ZINC000819019777 704052748 /nfs/dbraw/zinc/05/27/48/704052748.db2.gz RLNSIENBBYZDPW-XEZPLFJOSA-N 1 0 323.393 1.327 20 5 DDBDRO CS(=O)(=O)CCCC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819382637 704117690 /nfs/dbraw/zinc/11/76/90/704117690.db2.gz PJOPFDGNTSJMCC-ZDUSSCGKSA-N 1 0 316.379 1.043 20 5 DDBDRO CCN1CCCC[C@H]1C(=O)OC1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000870828430 704137762 /nfs/dbraw/zinc/13/77/62/704137762.db2.gz QRQPRUWLHZBPDX-UBHUBRDASA-N 1 0 322.365 1.912 20 5 DDBDRO CCN(C(=O)c1ccc(N)c([N+](=O)[O-])c1)[C@H]1CC[N@H+](CC)C1 ZINC000855489991 704487514 /nfs/dbraw/zinc/48/75/14/704487514.db2.gz FGRNCESYXZIEMV-LBPRGKRZSA-N 1 0 306.366 1.733 20 5 DDBDRO CC[NH2+]CCNC(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857764104 704621587 /nfs/dbraw/zinc/62/15/87/704621587.db2.gz IBRUZIIJGXPONX-UHFFFAOYSA-N 1 0 303.265 1.292 20 5 DDBDRO C[C@H](CC[NH3+])NC(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857765300 704622290 /nfs/dbraw/zinc/62/22/90/704622290.db2.gz OXPGDFMFISFVDN-MRVPVSSYSA-N 1 0 303.265 1.420 20 5 DDBDRO Nc1ccc(NC(=O)NCC[N@@H+]2CCCOCC2)cc1[N+](=O)[O-] ZINC000823955967 705344812 /nfs/dbraw/zinc/34/48/12/705344812.db2.gz LXWCNTHDMPTZRW-UHFFFAOYSA-N 1 0 323.353 1.021 20 5 DDBDRO CC(C)N(CC[NH+](C)C)C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823973827 705348311 /nfs/dbraw/zinc/34/83/11/705348311.db2.gz MVSHWIROHSTFIT-UHFFFAOYSA-N 1 0 309.370 1.981 20 5 DDBDRO C[N@@H+]1CCC[C@@H](CNC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000823993248 705350949 /nfs/dbraw/zinc/35/09/49/705350949.db2.gz BQFYITKEEGOAGK-JTQLQIEISA-N 1 0 307.354 1.640 20 5 DDBDRO Nc1ccc(NC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000823998906 705352203 /nfs/dbraw/zinc/35/22/03/705352203.db2.gz WSCQONHONAJDQY-GFCCVEGCSA-N 1 0 319.365 1.879 20 5 DDBDRO CO[C@@H]1C[N@H+](C)[C@](C)(COC(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC000861342993 705435207 /nfs/dbraw/zinc/43/52/07/705435207.db2.gz FZEDVKNEXREHRF-FZMZJTMJSA-N 1 0 311.338 1.199 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000825087974 705597676 /nfs/dbraw/zinc/59/76/76/705597676.db2.gz GSDKYRMDNGCOMI-LBPRGKRZSA-N 1 0 307.350 1.008 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@H](C)C[NH+]1CCC(C)CC1 ZINC000825409385 705665013 /nfs/dbraw/zinc/66/50/13/705665013.db2.gz IMRBMFUDGMECKS-GFCCVEGCSA-N 1 0 323.397 1.336 20 5 DDBDRO C[NH+]1CCC(CCNC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000825560480 705693289 /nfs/dbraw/zinc/69/32/89/705693289.db2.gz MRLMAFZNJHFXJO-OAHLLOKOSA-N 1 0 321.377 1.476 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876611656 705783362 /nfs/dbraw/zinc/78/33/62/705783362.db2.gz NOPDRPQJBIIRAM-RNCFNFMXSA-N 1 0 311.313 1.167 20 5 DDBDRO COc1ccc(CNC(=O)[C@H](F)[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000876612352 705783723 /nfs/dbraw/zinc/78/37/23/705783723.db2.gz JVLDHCWFWZOMPI-ZWNOBZJWSA-N 1 0 311.313 1.167 20 5 DDBDRO CN1CCOC[C@H]1CNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000862971109 705839971 /nfs/dbraw/zinc/83/99/71/705839971.db2.gz JFWMNJUMJPFCML-HJHHMULASA-N 1 0 305.334 1.055 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000876865958 705898128 /nfs/dbraw/zinc/89/81/28/705898128.db2.gz KXQMXMBLOGZUDY-NSHDSACASA-N 1 0 313.304 1.939 20 5 DDBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@@H](F)[C@@H]1CC[NH2+]C1)CC2 ZINC000876904749 705917693 /nfs/dbraw/zinc/91/76/93/705917693.db2.gz JSLQJZXVBZDHCV-RISCZKNCSA-N 1 0 307.325 1.740 20 5 DDBDRO C[C@H](CN1CCCC1=O)[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000876950668 705935361 /nfs/dbraw/zinc/93/53/61/705935361.db2.gz RZORNCFPYQMZJJ-VOMCLLRMSA-N 1 0 307.354 1.095 20 5 DDBDRO CNc1c(C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)cccc1[N+](=O)[O-] ZINC000827278613 705967051 /nfs/dbraw/zinc/96/70/51/705967051.db2.gz XLANGEAKKQFEIA-WCQYABFASA-N 1 0 318.377 1.803 20 5 DDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]CCOC[C@@H]3CCCO3)C2)c1 ZINC000877045255 705970921 /nfs/dbraw/zinc/97/09/21/705970921.db2.gz UABYHWUSRVSDJS-YIZWMMSDSA-N 1 0 310.354 1.280 20 5 DDBDRO C[C@@H](CC[S@](C)=O)[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877088120 705979781 /nfs/dbraw/zinc/97/97/81/705979781.db2.gz BJKVUFLXRTULIC-KMVPVODWSA-N 1 0 300.384 1.242 20 5 DDBDRO COc1ccc(C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000827375176 705989370 /nfs/dbraw/zinc/98/93/70/705989370.db2.gz TYKVNXYNKGPWBD-STQMWFEESA-N 1 0 319.361 1.770 20 5 DDBDRO [NH3+]C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])s2)C[C@@H]1C(F)(F)F ZINC000877366535 706082534 /nfs/dbraw/zinc/08/25/34/706082534.db2.gz KVPZFHGVMRFWNN-RQJHMYQMSA-N 1 0 323.296 1.866 20 5 DDBDRO COc1ccc(CC(=O)N[C@@]23CCC[C@H]2[NH2+]CC3)cc1[N+](=O)[O-] ZINC000877393703 706093463 /nfs/dbraw/zinc/09/34/63/706093463.db2.gz QTNLEGLPMLDZHA-GDBMZVCRSA-N 1 0 319.361 1.547 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000877401194 706096867 /nfs/dbraw/zinc/09/68/67/706096867.db2.gz ZBKABUDRIPWNFY-HIFRSBDPSA-N 1 0 305.334 1.374 20 5 DDBDRO CC[C@@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)[C@@H](O)C(F)F ZINC000877560757 706143093 /nfs/dbraw/zinc/14/30/93/706143093.db2.gz AEMHAHPKEIKNLD-PKRIEVTBSA-N 1 0 304.297 1.489 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](CCO)c1cccs1 ZINC000878409310 706380045 /nfs/dbraw/zinc/38/00/45/706380045.db2.gz JDAYIIOQCMSLCL-LLVKDONJSA-N 1 0 310.379 1.875 20 5 DDBDRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000880136795 706887524 /nfs/dbraw/zinc/88/75/24/706887524.db2.gz SGDINAJZXIAXOI-BZUAXINKSA-N 1 0 305.378 1.797 20 5 DDBDRO CC(C)(O)[C@@H]1CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000880148201 706892646 /nfs/dbraw/zinc/89/26/46/706892646.db2.gz SYCXPVRGVVWPLU-OLZOCXBDSA-N 1 0 324.377 1.427 20 5 DDBDRO CC[NH2+]CCCNC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000832378001 706900821 /nfs/dbraw/zinc/90/08/21/706900821.db2.gz LMCPNWCHUAKZOM-UHFFFAOYSA-N 1 0 324.337 1.849 20 5 DDBDRO C[C@@H]1CN(Cc2cn(C)nc2[N+](=O)[O-])CCN1c1cc[nH+]cc1 ZINC000880258553 706922862 /nfs/dbraw/zinc/92/28/62/706922862.db2.gz IIOVYTPNEXHXTM-GFCCVEGCSA-N 1 0 316.365 1.434 20 5 DDBDRO CC(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(F)cc3[N+](=O)[O-])C[C@@H]2C1 ZINC000880314069 706938245 /nfs/dbraw/zinc/93/82/45/706938245.db2.gz VEFZMIAQGJZTPB-BETUJISGSA-N 1 0 307.325 1.644 20 5 DDBDRO O=C(CC[N@H+]1C[C@H]2C[C@@]2(O)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000880419754 706968288 /nfs/dbraw/zinc/96/82/88/706968288.db2.gz PPJAXSIWPNHPSJ-YMTOWFKASA-N 1 0 309.297 1.129 20 5 DDBDRO C[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)C1 ZINC000833458977 707008776 /nfs/dbraw/zinc/00/87/76/707008776.db2.gz RIGODNAOMYOISR-HOCLYGCPSA-N 1 0 319.361 1.182 20 5 DDBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCOCCO ZINC000872018805 707281563 /nfs/dbraw/zinc/28/15/63/707281563.db2.gz PTHUXYHCQKFGAG-SNVBAGLBSA-N 1 0 300.380 1.976 20 5 DDBDRO C[NH+](C)[C@]1(CNc2ccnc(F)c2[N+](=O)[O-])CCSC1 ZINC000882050872 707479126 /nfs/dbraw/zinc/47/91/26/707479126.db2.gz BWYHJUZXGGOBPT-LBPRGKRZSA-N 1 0 300.359 1.978 20 5 DDBDRO CS[C@@H]1CN(c2ccnc(F)c2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000882136750 707513087 /nfs/dbraw/zinc/51/30/87/707513087.db2.gz QOERRLPLMYCSDX-VHSXEESVSA-N 1 0 300.359 1.611 20 5 DDBDRO CCN1CC[C@H]1CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000882766583 707783711 /nfs/dbraw/zinc/78/37/11/707783711.db2.gz LIVGHCPKKWCRKY-ZDUSSCGKSA-N 1 0 313.379 1.108 20 5 DDBDRO CN1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC[N@H+](C)CC1 ZINC000897094864 708228475 /nfs/dbraw/zinc/22/84/75/708228475.db2.gz OAITYVHXEIWHKG-UHFFFAOYSA-N 1 0 323.353 1.187 20 5 DDBDRO C[N@H+](CCO)CCNc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000884825334 708388465 /nfs/dbraw/zinc/38/84/65/708388465.db2.gz QKXDKYAEXWBEOZ-UHFFFAOYSA-N 1 0 308.260 1.345 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@@H]([NH+](C)C)C12CCC2 ZINC000912600344 713042709 /nfs/dbraw/zinc/04/27/09/713042709.db2.gz OZVIUWSFNXDKOV-CHWSQXEVSA-N 1 0 306.366 1.536 20 5 DDBDRO CC(=O)NCC[C@H]1CCC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886207575 708714768 /nfs/dbraw/zinc/71/47/68/708714768.db2.gz GNZGGQIPUCGZPH-CYBMUJFWSA-N 1 0 306.366 1.728 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H]1C[C@H]([NH+](C)C)C12CCC2 ZINC000898842708 708886885 /nfs/dbraw/zinc/88/68/85/708886885.db2.gz XDPLACJXKHULKT-RYUDHWBXSA-N 1 0 321.381 1.089 20 5 DDBDRO Cc1ccc(NC(=O)c2ccnn2CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000899910612 709234975 /nfs/dbraw/zinc/23/49/75/709234975.db2.gz JYYONZBZZLWFTR-UHFFFAOYSA-N 1 0 317.349 1.914 20 5 DDBDRO [NH3+]CCSc1ccc([N+](=O)[O-])c(N2CCOCC2)c1F ZINC000900022866 709270523 /nfs/dbraw/zinc/27/05/23/709270523.db2.gz OOHACKXQVRBRRJ-UHFFFAOYSA-N 1 0 301.343 1.621 20 5 DDBDRO Cc1n[nH]c(C(=O)N2CCCC[C@H]2[C@H](C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000912811835 713098391 /nfs/dbraw/zinc/09/83/91/713098391.db2.gz ORXQGARZATYAPZ-PWSUYJOCSA-N 1 0 323.397 1.819 20 5 DDBDRO O=C(c1ccc([N+](=O)[O-])cn1)N1CCC([NH2+]C2CCC2)CC1 ZINC000889831153 709651396 /nfs/dbraw/zinc/65/13/96/709651396.db2.gz XJPAKQCLOIRSLQ-UHFFFAOYSA-N 1 0 304.350 1.737 20 5 DDBDRO CCCc1n[nH]c(C(=O)N2CCC[N@H+](CC)C[C@H]2C)c1[N+](=O)[O-] ZINC000910284316 709864993 /nfs/dbraw/zinc/86/49/93/709864993.db2.gz NIMKYRAVKUSFPO-LLVKDONJSA-N 1 0 323.397 1.827 20 5 DDBDRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)NCCc1ccc([N+](=O)[O-])cc1)C2 ZINC000891410333 710190378 /nfs/dbraw/zinc/19/03/78/710190378.db2.gz OHSZFDWJJLHKNN-XJKSGUPXSA-N 1 0 318.377 1.388 20 5 DDBDRO C[C@]1(NC(=O)COc2ccc([N+](=O)[O-])cc2)C[NH+]2CCC1CC2 ZINC000892799345 710501871 /nfs/dbraw/zinc/50/18/71/710501871.db2.gz NJSHGDRYVGEPJS-INIZCTEOSA-N 1 0 319.361 1.574 20 5 DDBDRO C[C@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000893015490 710541563 /nfs/dbraw/zinc/54/15/63/710541563.db2.gz SSZIEWKEXDUYBI-RYUDHWBXSA-N 1 0 323.397 1.663 20 5 DDBDRO C[C@@H]1[C@@H](NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000928452034 713203222 /nfs/dbraw/zinc/20/32/22/713203222.db2.gz MNJPKXBZVBTAQL-DOMZBBRYSA-N 1 0 320.393 1.996 20 5 DDBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902467823 710763044 /nfs/dbraw/zinc/76/30/44/710763044.db2.gz QJEQEYMUXBEIBN-OBCWZRDOSA-N 1 0 318.377 1.794 20 5 DDBDRO COc1c(O)ccc(CN2C[C@@H](C)[N@H+](C)C[C@H]2C)c1[N+](=O)[O-] ZINC000893668090 710769655 /nfs/dbraw/zinc/76/96/55/710769655.db2.gz CXBDJEYSERJQBN-GHMZBOCLSA-N 1 0 309.366 1.833 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@H]2CC[N@H+]2C)c1 ZINC000928569236 713232239 /nfs/dbraw/zinc/23/22/39/713232239.db2.gz LSBCDFVBIXYUSO-GFCCVEGCSA-N 1 0 307.350 1.492 20 5 DDBDRO [NH3+][C@@H]1CN(Cc2cccnc2[N+](=O)[O-])CC[C@@H]1C(F)(F)F ZINC000903541639 711180199 /nfs/dbraw/zinc/18/01/99/711180199.db2.gz NFBHNXACHBAVKC-VHSXEESVSA-N 1 0 304.272 1.701 20 5 DDBDRO O=C(c1ccc2c(n1)C[NH2+]CC2)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000912183422 711206991 /nfs/dbraw/zinc/20/69/91/711206991.db2.gz MZCPZEPOTNPWCU-UHFFFAOYSA-N 1 0 324.340 1.838 20 5 DDBDRO COc1ccc(OCCN2CCC[C@@]23CC[NH2+]C3)c([N+](=O)[O-])c1 ZINC000903867230 711308780 /nfs/dbraw/zinc/30/87/80/711308780.db2.gz OAUMEHCTRMTQOP-INIZCTEOSA-N 1 0 321.377 1.810 20 5 DDBDRO C[N@@H+]1CCN(c2ccc([N+](=O)[O-])c3cnccc32)C[C@H]1CO ZINC000894890915 711310902 /nfs/dbraw/zinc/31/09/02/711310902.db2.gz WGCWYDAJMVJBKB-NSHDSACASA-N 1 0 302.334 1.256 20 5 DDBDRO C[C@@H](Nc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1CN(C)CC[N@@H+]1C ZINC000895246833 711464802 /nfs/dbraw/zinc/46/48/02/711464802.db2.gz QNLVKDDNNJISRN-QMTHXVAHSA-N 1 0 318.381 1.517 20 5 DDBDRO COC(=O)[C@]1(O)CC[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000895703735 711582580 /nfs/dbraw/zinc/58/25/80/711582580.db2.gz ONLYQPWFAWEBAX-LJEUOOAZSA-N 1 0 320.345 1.608 20 5 DDBDRO CCO[C@@H](CNc1ncnc2ccc([N+](=O)[O-])cc21)C[NH+](C)C ZINC000896117395 711678704 /nfs/dbraw/zinc/67/87/04/711678704.db2.gz MYVQQUJCYNLVGY-LBPRGKRZSA-N 1 0 319.365 1.917 20 5 DDBDRO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NC12CC[NH+](CC1)C2 ZINC000913628199 713272074 /nfs/dbraw/zinc/27/20/74/713272074.db2.gz BDEGBIRMHHXVMJ-UHFFFAOYSA-N 1 0 314.345 1.514 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(O)(C[NH+](C)C)CC1 ZINC000913681067 713280147 /nfs/dbraw/zinc/28/01/47/713280147.db2.gz POFNUQISEXJBBK-UHFFFAOYSA-N 1 0 321.377 1.432 20 5 DDBDRO C[C@@H]1[C@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CCN1C ZINC000905541101 712071459 /nfs/dbraw/zinc/07/14/59/712071459.db2.gz BITNKPXWGXHKHJ-VXGBXAGGSA-N 1 0 306.366 1.606 20 5 DDBDRO Cc1cc(CC[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)nn1C ZINC000905559660 712077762 /nfs/dbraw/zinc/07/77/62/712077762.db2.gz GGUDCGZSSPDREL-OAHLLOKOSA-N 1 0 304.350 1.502 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CC[C@H]2CCC(F)(F)C2)c1 ZINC000905675780 712115118 /nfs/dbraw/zinc/11/51/18/712115118.db2.gz RAKRVODCYXSYBC-ZYHUDNBSSA-N 1 0 318.324 1.567 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@H]2CCC=CCCC2)c1 ZINC000905678951 712115969 /nfs/dbraw/zinc/11/59/69/712115969.db2.gz NPTAHICZIFUGCZ-ZFWWWQNUSA-N 1 0 308.382 1.878 20 5 DDBDRO CC1(C)CCN(CC[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000905680496 712116292 /nfs/dbraw/zinc/11/62/92/712116292.db2.gz XATSKXFJMVAODL-HNNXBMFYSA-N 1 0 307.394 1.950 20 5 DDBDRO C[C@H]1[C@@H](NC(=O)NCCNc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000913930632 713321461 /nfs/dbraw/zinc/32/14/61/713321461.db2.gz KEDWXUQPKIHLSM-FZMZJTMJSA-N 1 0 321.381 1.399 20 5 DDBDRO Cc1c(CO)cc([N+](=O)[O-])c(NC[C@@H](C)[NH+](C)C)c1[N+](=O)[O-] ZINC000915213792 713412926 /nfs/dbraw/zinc/41/29/26/713412926.db2.gz OJJWFUBDPOYIAQ-MRVPVSSYSA-N 1 0 312.326 1.666 20 5 DDBDRO O=C(Nc1ccc(Cl)cn1)[C@H]1CCC[N@@H+](CC[N+](=O)[O-])C1 ZINC000929887083 713713361 /nfs/dbraw/zinc/71/33/61/713713361.db2.gz JPVSZFVDWYBHOW-JTQLQIEISA-N 1 0 312.757 1.662 20 5 DDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)COC1CC[NH+](C)CC1 ZINC000930073947 713749841 /nfs/dbraw/zinc/74/98/41/713749841.db2.gz GLVPLDPGPFKSIT-UHFFFAOYSA-N 1 0 321.377 1.664 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)Nc1ccccc1C[NH+](C)C ZINC000930126663 713762431 /nfs/dbraw/zinc/76/24/31/713762431.db2.gz OUMIRYMLOYPXSO-UHFFFAOYSA-N 1 0 317.349 1.800 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)CN1CCOCC1 ZINC000921534465 713800878 /nfs/dbraw/zinc/80/08/78/713800878.db2.gz SEBCADADELIKGE-ZDUSSCGKSA-N 1 0 323.393 1.804 20 5 DDBDRO C[NH+](C)CC1(O)CCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000931482112 714108042 /nfs/dbraw/zinc/10/80/42/714108042.db2.gz PCVQCCJOLGHDRK-UHFFFAOYSA-N 1 0 311.357 1.622 20 5 DDBDRO COC1(OC)CC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000931639125 714146555 /nfs/dbraw/zinc/14/65/55/714146555.db2.gz HRXSNKGRYHOMBD-BXUZGUMPSA-N 1 0 310.350 1.712 20 5 DDBDRO Cn1nccc1[C@@H](O)C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000922973669 714201004 /nfs/dbraw/zinc/20/10/04/714201004.db2.gz QYOGYLYZVOTRCL-ZDUSSCGKSA-N 1 0 310.741 1.805 20 5 DDBDRO C[C@H]1CC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000932346794 714315374 /nfs/dbraw/zinc/31/53/74/714315374.db2.gz KUWZHCYPKDBHCG-QWHCGFSZSA-N 1 0 310.350 1.445 20 5 DDBDRO C[C@@H]1[NH2+]CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000923345587 714321799 /nfs/dbraw/zinc/32/17/99/714321799.db2.gz LVNUDUDVOFTMLV-AVGNSLFASA-N 1 0 309.366 1.017 20 5 DDBDRO CC(C)(C)[NH2+]CCC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000932456511 714336736 /nfs/dbraw/zinc/33/67/36/714336736.db2.gz SDYGRRFDVGZCJM-UHFFFAOYSA-N 1 0 309.366 1.868 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@@H]1CC[NH2+]C12CCC2 ZINC000923398768 714341960 /nfs/dbraw/zinc/34/19/60/714341960.db2.gz LVSYQTIXVZGIER-IUODEOHRSA-N 1 0 321.377 1.209 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H]1COC[C@@H]1C ZINC000932494018 714346181 /nfs/dbraw/zinc/34/61/81/714346181.db2.gz GNODHOXIPDUMEZ-SMDDNHRTSA-N 1 0 307.350 1.856 20 5 DDBDRO C[NH2+]C[C@@H]1CCCCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000923430230 714353721 /nfs/dbraw/zinc/35/37/21/714353721.db2.gz JLSPQXNSHHQMSA-LSDHHAIUSA-N 1 0 323.393 1.408 20 5 DDBDRO C[C@H]1C[NH2+][C@@H](C)[C@H](C)N1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000923445691 714358121 /nfs/dbraw/zinc/35/81/21/714358121.db2.gz WEUWYWUSBAYTSC-AVGNSLFASA-N 1 0 320.393 1.994 20 5 DDBDRO CCOC(=O)[C@@H]1CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000932646851 714374766 /nfs/dbraw/zinc/37/47/66/714374766.db2.gz UTYMGRMWIGRXTA-OCCSQVGLSA-N 1 0 308.334 1.513 20 5 DDBDRO CCOC(=O)[C@@H]1CC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000932646855 714374977 /nfs/dbraw/zinc/37/49/77/714374977.db2.gz UTYMGRMWIGRXTA-TZMCWYRMSA-N 1 0 308.334 1.513 20 5 DDBDRO O=C1N[C@H](C2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)CO1 ZINC000932769355 714409767 /nfs/dbraw/zinc/40/97/67/714409767.db2.gz CDHPZLFHWZMPKQ-ZDUSSCGKSA-N 1 0 305.334 1.915 20 5 DDBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCC[N@H+](C)CCO ZINC000925001486 714722503 /nfs/dbraw/zinc/72/25/03/714722503.db2.gz OFXJTIMMBJSHDO-UHFFFAOYSA-N 1 0 315.757 1.211 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H]2CCOC23CCOCC3)c1 ZINC000934401049 714811342 /nfs/dbraw/zinc/81/13/42/714811342.db2.gz VHINGASQCBWQQD-LSDHHAIUSA-N 1 0 322.361 1.556 20 5 DDBDRO C[C@H](C[C@H]1CCC(=O)N1)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000925382651 714836646 /nfs/dbraw/zinc/83/66/46/714836646.db2.gz MHTAKUHZWJZBLH-VXGBXAGGSA-N 1 0 307.350 1.620 20 5 DDBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)Cn2c(C)ncc2[N+](=O)[O-])C[C@@H]1C ZINC000935169269 714994015 /nfs/dbraw/zinc/99/40/15/714994015.db2.gz YWZQJRPKMBNCBK-WDEREUQCSA-N 1 0 309.370 1.041 20 5 DDBDRO Cc1nc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)co1 ZINC000940108146 716627706 /nfs/dbraw/zinc/62/77/06/716627706.db2.gz WTPZNHLRPVYGPG-CHWSQXEVSA-N 1 0 322.365 1.119 20 5 DDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[C@H]2C[N@@H+](CCCF)C[C@H]2CC1 ZINC000946589240 718844013 /nfs/dbraw/zinc/84/40/13/718844013.db2.gz NLLIQXZNUVQWAH-XJFOESAGSA-N 1 0 313.373 1.182 20 5 DDBDRO C[C@@H](Nc1c2c(ccc1[N+](=O)[O-])NCC2)[C@H]1C[N@H+](C)CCN1C ZINC001120960721 782258524 /nfs/dbraw/zinc/25/85/24/782258524.db2.gz WTKRFGWXGPFIAZ-IAQYHMDHSA-N 1 0 319.409 1.609 20 5 DDBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)c1cnon1 ZINC001022871187 734844443 /nfs/dbraw/zinc/84/44/43/734844443.db2.gz HVSXAMIWBRXAAK-PHIMTYICSA-N 1 0 317.305 1.028 20 5 DDBDRO [NH3+]CCc1ccn(-c2ccc3cc(F)cc([N+](=O)[O-])c3n2)n1 ZINC001167729894 737194675 /nfs/dbraw/zinc/19/46/75/737194675.db2.gz UXELDVFXSCYXCO-UHFFFAOYSA-N 1 0 301.281 1.969 20 5 DDBDRO O=C(Cc1ccoc1)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001126131309 738365926 /nfs/dbraw/zinc/36/59/26/738365926.db2.gz QPAZROMOKITPSE-UHFFFAOYSA-N 1 0 309.347 1.698 20 5 DDBDRO CC[N@H+](C)CCC(=O)N(C)CCN(C)c1ncccc1[N+](=O)[O-] ZINC001105459928 741849189 /nfs/dbraw/zinc/84/91/89/741849189.db2.gz LWLPVKNVVOBPIQ-UHFFFAOYSA-N 1 0 323.397 1.226 20 5 DDBDRO CN(CCNc1ccc([N+](=O)[O-])cc1)C(=O)COCC[NH+](C)C ZINC001101694363 741887101 /nfs/dbraw/zinc/88/71/01/741887101.db2.gz WKZFLDTVMNQLBH-UHFFFAOYSA-N 1 0 324.381 1.043 20 5 DDBDRO O=[N+]([O-])c1cnccc1NC[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC001187614825 744585391 /nfs/dbraw/zinc/58/53/91/744585391.db2.gz CZNDKCZBEUCLDJ-ZFWWWQNUSA-N 1 0 320.393 1.715 20 5 DDBDRO COc1cc(C)c([N+](=O)[O-])cc1NCCCN1CC[NH+](C)CC1 ZINC001161708492 745307673 /nfs/dbraw/zinc/30/76/73/745307673.db2.gz LZCYEFHOTIOJLD-UHFFFAOYSA-N 1 0 322.409 1.961 20 5 DDBDRO O=C(NCC1C[NH+](CCCc2ccsc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001031662560 747337589 /nfs/dbraw/zinc/33/75/89/747337589.db2.gz HZDVUHOQGFGSOT-ZIAGYGMSSA-N 1 0 323.418 1.394 20 5 DDBDRO COc1ccnc(-n2cnc(C)c2CSCC[NH3+])c1[N+](=O)[O-] ZINC001168783484 761944254 /nfs/dbraw/zinc/94/42/54/761944254.db2.gz IYWDEGLQWYKPMH-UHFFFAOYSA-N 1 0 323.378 1.684 20 5 DDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(C[NH2+]CC2CCCC2)CC1 ZINC000997773602 751269808 /nfs/dbraw/zinc/26/98/08/751269808.db2.gz WRZHSDNYSFYBEJ-HUUCEWRRSA-N 1 0 309.410 1.670 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2cc(OC3COC3)ccn2)C1 ZINC001168975802 762164665 /nfs/dbraw/zinc/16/46/65/762164665.db2.gz XHKCXDMLWRSHTK-NEPJUHHUSA-N 1 0 307.350 1.394 20 5 DDBDRO COC(=O)CC1([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CCOCC1 ZINC001168987756 762180317 /nfs/dbraw/zinc/18/03/17/762180317.db2.gz KARIXIUSIYKKPY-NWDGAFQWSA-N 1 0 300.355 1.134 20 5 DDBDRO COc1ccnc(N2CC[NH+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)n1 ZINC001169040017 762194590 /nfs/dbraw/zinc/19/45/90/762194590.db2.gz WXZMLUJYUAPJGT-STQMWFEESA-N 1 0 321.381 1.053 20 5 DDBDRO Cc1ccc(C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000823785272 758362208 /nfs/dbraw/zinc/36/22/08/758362208.db2.gz ZZQIEMZNCHWRON-WFASDCNBSA-N 1 0 320.393 1.267 20 5 DDBDRO Cc1ncsc1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001086082988 760943711 /nfs/dbraw/zinc/94/37/11/760943711.db2.gz JXAWRZAUIWPMJK-WRWGMCAJSA-N 1 0 324.406 1.101 20 5 DDBDRO Cc1cc([N+](=O)[O-])cnc1NCCCN(C)C(=O)CC[NH+](C)C ZINC001109617091 763881038 /nfs/dbraw/zinc/88/10/38/763881038.db2.gz XTEPIRMODLSPON-UHFFFAOYSA-N 1 0 323.397 1.510 20 5 DDBDRO C[C@H](Nc1ncc2cccc([N+](=O)[O-])c2n1)[C@@H]1C[NH2+]CCO1 ZINC001170566655 768173026 /nfs/dbraw/zinc/17/30/26/768173026.db2.gz AXNLIHASULEWHD-CABZTGNLSA-N 1 0 303.322 1.327 20 5 DDBDRO C[C@@H](Nc1cc2cccnc2c([N+](=O)[O-])c1)[C@H]1C[NH2+]CCO1 ZINC001170567284 768175612 /nfs/dbraw/zinc/17/56/12/768175612.db2.gz CQKWVISSWFGZTE-QMTHXVAHSA-N 1 0 302.334 1.932 20 5 DDBDRO COC(=O)Cc1ccc(N[C@@H](C)[C@@H]2C[NH2+]CCO2)cc1[N+](=O)[O-] ZINC001170569577 768183174 /nfs/dbraw/zinc/18/31/74/768183174.db2.gz JVDCMZVOQCMDKM-HZMBPMFUSA-N 1 0 323.349 1.099 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)c(F)cnc2NC[C@H]1COCC[NH2+]1 ZINC001170042690 764344393 /nfs/dbraw/zinc/34/43/93/764344393.db2.gz SFNFHYUESMZUEI-VIFPVBQESA-N 1 0 306.297 1.682 20 5 DDBDRO C[C@H](Nc1cc2c(c([N+](=O)[O-])c1)NN(C)C2)[C@H]1C[NH2+]CCO1 ZINC001170576446 768253214 /nfs/dbraw/zinc/25/32/14/768253214.db2.gz VFRXBHGFRWQNBP-TVQRCGJNSA-N 1 0 307.354 1.156 20 5 DDBDRO COc1ccc(C[C@@H](C)[NH2+][C@H]2CCCNC2=O)c([N+](=O)[O-])c1 ZINC001170297816 766227098 /nfs/dbraw/zinc/22/70/98/766227098.db2.gz SPDHZKOZIGNIKE-MFKMUULPSA-N 1 0 307.350 1.403 20 5 DDBDRO COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2CN(C)CCO2)c([N+](=O)[O-])c1 ZINC001170299126 766227272 /nfs/dbraw/zinc/22/72/72/766227272.db2.gz QODUQCUBKZGMGE-IUODEOHRSA-N 1 0 323.393 1.455 20 5 DDBDRO COc1ccc(C[C@H](C)[N@@H+]2CC[C@@H](F)[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC001170327851 766254130 /nfs/dbraw/zinc/25/41/30/766254130.db2.gz IIKWAZPQSJXIMY-ZBINZKHDSA-N 1 0 312.341 1.939 20 5 DDBDRO CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[NH+](Cc2ccccn2)CC1 ZINC001045436992 766305821 /nfs/dbraw/zinc/30/58/21/766305821.db2.gz ZXGMERIHCVAUQM-ZIAGYGMSSA-N 1 0 318.377 1.218 20 5 DDBDRO O=[N+]([O-])c1cc(F)cc2ccc(N[C@@H]3C[NH2+]C[C@@H]3CO)nc21 ZINC001170775407 771205555 /nfs/dbraw/zinc/20/55/55/771205555.db2.gz CRHAULYRKNQSQI-MWLCHTKSSA-N 1 0 306.297 1.274 20 5 DDBDRO Cc1cc([N+](=O)[O-])cnc1N[C@H]1C[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001097095645 771621926 /nfs/dbraw/zinc/62/19/26/771621926.db2.gz BTUJXSJBNSHANE-HAQNSBGRSA-N 1 0 321.381 1.309 20 5 DDBDRO C[NH+](C)CCC(=O)NC[C@H]1C[C@H](Nc2ccccc2[N+](=O)[O-])C1 ZINC001091512480 772795569 /nfs/dbraw/zinc/79/55/69/772795569.db2.gz WCNSUVYOIYCMOT-JOCQHMNTSA-N 1 0 320.393 1.853 20 5 DDBDRO Cc1cnoc1C(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001146495049 772878054 /nfs/dbraw/zinc/87/80/54/772878054.db2.gz URFXMZVAPOPEOA-UHFFFAOYSA-N 1 0 304.306 1.411 20 5 DDBDRO C[NH+](C)CCCC(=O)NCCCNc1ccc([N+](=O)[O-])cn1 ZINC001094745317 776243018 /nfs/dbraw/zinc/24/30/18/776243018.db2.gz ZLJXQUHTILIDQM-UHFFFAOYSA-N 1 0 309.370 1.250 20 5 DDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@]2(CCNC2=O)C1 ZINC001173221012 777053084 /nfs/dbraw/zinc/05/30/84/777053084.db2.gz FGARWIVFGRAKBR-MLGOLLRUSA-N 1 0 303.362 1.738 20 5 DDBDRO CO[C@@H]1C[NH2+][C@](C)(C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001119237107 781374668 /nfs/dbraw/zinc/37/46/68/781374668.db2.gz PKBIQLBQYBKUKN-ZFWWWQNUSA-N 1 0 305.334 1.204 20 5 DDBDRO C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 ZINC001119952870 781696212 /nfs/dbraw/zinc/69/62/12/781696212.db2.gz FEMJKZGFFLDAOB-YPMHNXCESA-N 1 0 312.391 1.550 20 5 DDBDRO CC(C)(O)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001266589099 836504478 /nfs/dbraw/zinc/50/44/78/836504478.db2.gz LWIODBUOMLRAEK-JOCQHMNTSA-N 1 0 321.377 1.493 20 5 DDBDRO O=C(NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccn[nH]1 ZINC001154885527 861539283 /nfs/dbraw/zinc/53/92/83/861539283.db2.gz AAPPGDMTVAQUOK-UHFFFAOYSA-N 1 0 303.322 1.228 20 5 DDBDRO C[C@@H]1C[C@@H](CNc2cc(/C=C/N(C)C)c([N+](=O)[O-])cn2)C[NH2+]1 ZINC001155101879 861734501 /nfs/dbraw/zinc/73/45/01/861734501.db2.gz NCHACFNZMLEKKV-GKUNOOHESA-N 1 0 305.382 1.932 20 5 DDBDRO [NH3+]Cc1ccnn1-c1ccc(-c2ccc(F)c([N+](=O)[O-])c2)nn1 ZINC001155130188 861758824 /nfs/dbraw/zinc/75/88/24/861758824.db2.gz DIZUDSXVYBUTJL-UHFFFAOYSA-N 1 0 314.280 1.835 20 5 DDBDRO C[NH2+][C@H](C)CCNS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC001326985047 861774411 /nfs/dbraw/zinc/77/44/11/861774411.db2.gz QWFCWXZFNFPZCC-LLVKDONJSA-N 1 0 315.395 1.488 20 5 DDBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CCOCCCO)n1 ZINC000353980025 847947477 /nfs/dbraw/zinc/94/74/77/847947477.db2.gz TVOXKNLNGSWIHE-OLZOCXBDSA-N 1 0 312.370 1.264 20 5 DDBDRO Cc1ocnc1C(=O)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001155323853 861960931 /nfs/dbraw/zinc/96/09/31/861960931.db2.gz AYZKCBQMUPVFIE-UHFFFAOYSA-N 1 0 318.333 1.801 20 5 DDBDRO Cc1cnc(N2CCC[C@@H](N3CC(C[NH3+])C3)C2)c([N+](=O)[O-])c1 ZINC001155362500 861994152 /nfs/dbraw/zinc/99/41/52/861994152.db2.gz FZISVCJAMJGSNF-CYBMUJFWSA-N 1 0 305.382 1.158 20 5 DDBDRO Cc1nc(Cl)nc(N[C@H]2COCCC23C[NH2+]C3)c1[N+](=O)[O-] ZINC001155461372 862112024 /nfs/dbraw/zinc/11/20/24/862112024.db2.gz CUHUNZCVHZRINI-QMMMGPOBSA-N 1 0 313.745 1.137 20 5 DDBDRO Cn1nccc1C(=O)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001155474010 862129964 /nfs/dbraw/zinc/12/99/64/862129964.db2.gz LFNWQCBOQGCQIQ-UHFFFAOYSA-N 1 0 317.349 1.238 20 5 DDBDRO CCOc1nc(NC[C@]23C[NH2+]C[C@H]2COC3)ccc1[N+](=O)[O-] ZINC001155515881 862180996 /nfs/dbraw/zinc/18/09/96/862180996.db2.gz MXXHSKLSVYZIOH-HZMBPMFUSA-N 1 0 308.338 1.036 20 5 DDBDRO COc1cc(NC[C@H]2OC[C@H]3C[NH2+]CC[C@H]32)ncc1[N+](=O)[O-] ZINC001155522214 862187052 /nfs/dbraw/zinc/18/70/52/862187052.db2.gz DPZIQLAQLQNEQW-GIPNMCIBSA-N 1 0 308.338 1.035 20 5 DDBDRO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)COc1ccccc1[N+](=O)[O-] ZINC001327544803 862258049 /nfs/dbraw/zinc/25/80/49/862258049.db2.gz UDKFXDYFSXUOJE-QWHCGFSZSA-N 1 0 321.377 1.963 20 5 DDBDRO O=C(NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C1=COCCC1 ZINC001155601953 862281304 /nfs/dbraw/zinc/28/13/04/862281304.db2.gz GYYHKPNDENUIFH-UHFFFAOYSA-N 1 0 319.361 1.885 20 5 DDBDRO O=C(COC1CCCC1)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001124101023 859578389 /nfs/dbraw/zinc/57/83/89/859578389.db2.gz CONOKNKIKIMYNN-UHFFFAOYSA-N 1 0 321.377 1.760 20 5 DDBDRO C[NH2+]C[C@H](C)CNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C ZINC001328570421 863075758 /nfs/dbraw/zinc/07/57/58/863075758.db2.gz RDTTYRIQDQYRKG-VIFPVBQESA-N 1 0 315.395 1.345 20 5 DDBDRO CC[N@@H+]1C[C@@H](NC(=O)CNc2ccccc2[N+](=O)[O-])C(C)(C)C1 ZINC001156828109 863372531 /nfs/dbraw/zinc/37/25/31/863372531.db2.gz JTIAZRBHDDXRMB-CQSZACIVSA-N 1 0 320.393 1.853 20 5 DDBDRO C[NH2+][C@@H](C)CCNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC001329300891 863586757 /nfs/dbraw/zinc/58/67/57/863586757.db2.gz BAGMEGYMXHNVLZ-VIFPVBQESA-N 1 0 309.322 1.094 20 5 DDBDRO CSc1nc(Cl)nc(-n2ccnc2C(N)=[NH2+])c1[N+](=O)[O-] ZINC001157622969 863986291 /nfs/dbraw/zinc/98/62/91/863986291.db2.gz NVWWXHWTHGRGFX-UHFFFAOYSA-N 1 0 313.730 1.230 20 5 DDBDRO COc1cc(C)nc(-n2cc3c(n2)CC[C@H]([NH3+])C3)c1[N+](=O)[O-] ZINC001157987284 864334845 /nfs/dbraw/zinc/33/48/45/864334845.db2.gz DNOLPHDXIRFNER-JTQLQIEISA-N 1 0 303.322 1.309 20 5 DDBDRO O=C(NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC001154109052 864414947 /nfs/dbraw/zinc/41/49/47/864414947.db2.gz PSPLPUDMMLMQIT-UHFFFAOYSA-N 1 0 321.377 1.617 20 5 DDBDRO CCN(c1nc(C(=O)OC)ccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC001158207872 864490425 /nfs/dbraw/zinc/49/04/25/864490425.db2.gz ZEWXUNSTZFHQQY-SNVBAGLBSA-N 1 0 308.338 1.355 20 5 DDBDRO O=C(NCCC1=CC[NH2+]CC1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001331467343 865103106 /nfs/dbraw/zinc/10/31/06/865103106.db2.gz XHUZLYNYRKXROA-UHFFFAOYSA-N 1 0 316.361 1.930 20 5 DDBDRO C[NH2+]C(C)(C)CNc1c2cc(OC)ccc2ncc1[N+](=O)[O-] ZINC001331587879 865167857 /nfs/dbraw/zinc/16/78/57/865167857.db2.gz WUKUSZOLHYKUPV-UHFFFAOYSA-N 1 0 304.350 1.983 20 5 DDBDRO [NH3+]CCOCCOCCNc1nccc2cc([N+](=O)[O-])ccc21 ZINC001159446704 865303722 /nfs/dbraw/zinc/30/37/22/865303722.db2.gz DEPZKYPGPIZFPS-UHFFFAOYSA-N 1 0 320.349 1.547 20 5 DDBDRO [NH3+]CCN(CC(F)(F)F)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC001331990418 865483556 /nfs/dbraw/zinc/48/35/56/865483556.db2.gz AOLZWQSFZVXMGA-ZZXKWVIFSA-N 1 0 317.267 1.958 20 5 DDBDRO CC[N@H+](C)[C@@H]1CCN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC001160160329 865703864 /nfs/dbraw/zinc/70/38/64/865703864.db2.gz JELZJLSSINRPRG-CYBMUJFWSA-N 1 0 309.341 1.829 20 5 DDBDRO CCOC(=O)c1ccnc(Nc2ccc(C[NH3+])nc2)c1[N+](=O)[O-] ZINC001160405794 865818363 /nfs/dbraw/zinc/81/83/63/865818363.db2.gz MZFZCBAVHDUIIQ-UHFFFAOYSA-N 1 0 317.305 1.764 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(NCC(C)(C)N2CC[NH+](C)CC2)n1 ZINC001319756411 866273560 /nfs/dbraw/zinc/27/35/60/866273560.db2.gz WSXPNSHGBDUYJO-UHFFFAOYSA-N 1 0 307.398 1.736 20 5 DDBDRO C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC001320750989 867001869 /nfs/dbraw/zinc/00/18/69/867001869.db2.gz RSJRIPIMPLOPSY-KGLIPLIRSA-N 1 0 306.366 1.780 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@H]1CCCC[C@H]1[NH+](C)C ZINC001333790971 867012771 /nfs/dbraw/zinc/01/27/71/867012771.db2.gz NJKWKGQVQYPTEJ-NWDGAFQWSA-N 1 0 309.370 1.089 20 5 DDBDRO COc1ncnc(N(CC[NH3+])c2ccc(F)cc2)c1[N+](=O)[O-] ZINC001161880690 867064957 /nfs/dbraw/zinc/06/49/57/867064957.db2.gz PCRPUCZWECPUBP-UHFFFAOYSA-N 1 0 307.285 1.629 20 5 DDBDRO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])n[nH]3)C[C@@H]2C1 ZINC001333929372 867164202 /nfs/dbraw/zinc/16/42/02/867164202.db2.gz PVQYAGSAODEEBC-OUAUKWLOSA-N 1 0 307.354 1.120 20 5 DDBDRO CCc1ccccc1C[NH2+]C/C=C\CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001321053196 867269553 /nfs/dbraw/zinc/26/95/53/867269553.db2.gz XGZKODWLSKNVED-ILNYKDOHSA-N 1 0 317.389 1.676 20 5 DDBDRO [NH3+]Cc1nc2cnccc2n1-c1ncnc2cccc([N+](=O)[O-])c21 ZINC001162220538 867353159 /nfs/dbraw/zinc/35/31/59/867353159.db2.gz UTXTXDDAOYECLH-UHFFFAOYSA-N 1 0 321.300 1.731 20 5 DDBDRO CN1CCO[C@H](COc2ncc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC001225892647 882095713 /nfs/dbraw/zinc/09/57/13/882095713.db2.gz FSMOKROOLQHPKT-VIFPVBQESA-N 1 0 321.255 1.718 20 5 DDBDRO CCOC(=O)c1c(C[NH3+])ncn1-c1c(C)cccc1[N+](=O)[O-] ZINC001162537806 867619589 /nfs/dbraw/zinc/61/95/89/867619589.db2.gz UQPGBNFTDFAASS-UHFFFAOYSA-N 1 0 304.306 1.724 20 5 DDBDRO COC(=O)c1ncc([N+](=O)[O-])c(C)c1NC[C@H]1C[NH2+][C@H](C)C1 ZINC001162557423 867638904 /nfs/dbraw/zinc/63/89/04/867638904.db2.gz GCESHJIERJZIDV-PSASIEDQSA-N 1 0 308.338 1.495 20 5 DDBDRO O=[N+]([O-])c1c(NC[C@H]2CCC(F)(F)C2)ncnc1C1C[NH2+]C1 ZINC001162647450 867702855 /nfs/dbraw/zinc/70/28/55/867702855.db2.gz BNQWJAOYVYHIGC-QMMMGPOBSA-N 1 0 313.308 1.919 20 5 DDBDRO CC(C)Oc1nc(N[C@@H]2C=C[C@@H]3C[NH2+]C[C@H]23)ccc1[N+](=O)[O-] ZINC001162803934 867836656 /nfs/dbraw/zinc/83/66/56/867836656.db2.gz XVGPXXKKDRCJNS-GRYCIOLGSA-N 1 0 304.350 1.963 20 5 DDBDRO COc1cc(Nc2ccc([C@H](C[NH3+])CO)cc2)ncc1[N+](=O)[O-] ZINC001163052185 868040241 /nfs/dbraw/zinc/04/02/41/868040241.db2.gz CUXXUACVQSZQCZ-LLVKDONJSA-N 1 0 318.333 1.777 20 5 DDBDRO O=[N+]([O-])c1c2[nH]cnc2ccc1NCC[C@H]1CCOC12C[NH2+]C2 ZINC001163094957 868087799 /nfs/dbraw/zinc/08/77/99/868087799.db2.gz NSMFIBDCBVXSGU-JTQLQIEISA-N 1 0 317.349 1.652 20 5 DDBDRO COc1ccnc(NC[C@H]2OC[C@H]3C[NH2+]CC[C@H]32)c1[N+](=O)[O-] ZINC001163164282 868177223 /nfs/dbraw/zinc/17/72/23/868177223.db2.gz SHOWMYUHVZBXQJ-CKYFFXLPSA-N 1 0 308.338 1.035 20 5 DDBDRO O=[N+]([O-])c1c2[nH]cnc2ccc1NC[C@H]1OC[C@H]2C[NH2+]CC[C@H]21 ZINC001163176891 868193538 /nfs/dbraw/zinc/19/35/38/868193538.db2.gz ZTVFSLBMOKYMBA-GIPNMCIBSA-N 1 0 317.349 1.508 20 5 DDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC001322508684 868212306 /nfs/dbraw/zinc/21/23/06/868212306.db2.gz DSCBPRSDGRWPMN-ZUZCIYMTSA-N 1 0 318.377 1.849 20 5 DDBDRO COCCN1CCC[C@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001335345566 868240850 /nfs/dbraw/zinc/24/08/50/868240850.db2.gz NELKGXZZKHKZQJ-GOEBONIOSA-N 1 0 323.393 1.329 20 5 DDBDRO O=C1C[C@H]2[NH2+]CC[C@@]2(Nc2ccc([N+](=O)[O-])c3ccccc23)N1 ZINC001163254531 868262381 /nfs/dbraw/zinc/26/23/81/868262381.db2.gz SEPHYTQYMIAQHY-GDBMZVCRSA-N 1 0 312.329 1.738 20 5 DDBDRO O=[N+]([O-])c1cc(NC[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)cnc1F ZINC001163286176 868311420 /nfs/dbraw/zinc/31/14/20/868311420.db2.gz ZILPHHMTWMEVEU-IINYFYTJSA-N 1 0 310.329 1.700 20 5 DDBDRO COc1ccc([N+](=O)[O-])nc1N[C@@H]1CCO[C@]2(CC[NH2+]C2)C1 ZINC001163325718 868356550 /nfs/dbraw/zinc/35/65/50/868356550.db2.gz XPNGUBYDVSFCAQ-QMTHXVAHSA-N 1 0 308.338 1.321 20 5 DDBDRO C[C@@H]1COCC[N@@H+]1C1CCN(c2c([N+](=O)[O-])cnn2C)CC1 ZINC001335532540 868366314 /nfs/dbraw/zinc/36/63/14/868366314.db2.gz BRCXQDQUYFENLH-LLVKDONJSA-N 1 0 309.370 1.018 20 5 DDBDRO Cc1ccc([C@@H]2C[C@H]2[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC001336049432 868700881 /nfs/dbraw/zinc/70/08/81/868700881.db2.gz UDVOJTIBLWDVBD-HRCADAONSA-N 1 0 316.361 1.606 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1COC[C@H]1C1CC1 ZINC001336067221 868711605 /nfs/dbraw/zinc/71/16/05/868711605.db2.gz SAZWLKJOXMEKBU-HZSPNIEDSA-N 1 0 322.361 1.349 20 5 DDBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ccc([N+](=O)[O-])cc1C(N)=O)C2 ZINC001226165627 882242406 /nfs/dbraw/zinc/24/24/06/882242406.db2.gz MLHFNFXEIRIIJO-IAZYJMLFSA-N 1 0 305.334 1.698 20 5 DDBDRO COc1cnc(NCC2([NH+](C)C)CCN(C)CC2)cc1[N+](=O)[O-] ZINC001164211995 869019445 /nfs/dbraw/zinc/01/94/45/869019445.db2.gz YKJACHYGJIMKSE-UHFFFAOYSA-N 1 0 323.397 1.436 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N1CCC[C@@](C)(C[NH3+])CC1 ZINC001164242870 869051015 /nfs/dbraw/zinc/05/10/15/869051015.db2.gz SLRZRTSOPHZORE-OAHLLOKOSA-N 1 0 322.365 1.732 20 5 DDBDRO Nc1nc(NC2CCN(c3cc[nH+]cc3)CC2)ncc1[N+](=O)[O-] ZINC001164364981 869154334 /nfs/dbraw/zinc/15/43/34/869154334.db2.gz TWHPVKXUFRBQMR-UHFFFAOYSA-N 1 0 315.337 1.443 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@@H]1CC12CCOCC2 ZINC001336822267 869164548 /nfs/dbraw/zinc/16/45/48/869164548.db2.gz XOXRUKZVIIDVON-SWLSCSKDSA-N 1 0 322.361 1.493 20 5 DDBDRO C[C@@H]1CC[C@@H](C[NH3+])CN1c1cc([N+](=O)[O-])cc(Cl)[n+]1[O-] ZINC001164469063 869214541 /nfs/dbraw/zinc/21/45/41/869214541.db2.gz WSSYHMKGAQSAIE-BDAKNGLRSA-N 1 0 300.746 1.445 20 5 DDBDRO CC(C)Oc1nc(N2CC[C@@H]3[NH2+]CCO[C@H]3C2)ccc1[N+](=O)[O-] ZINC001165274084 869486530 /nfs/dbraw/zinc/48/65/30/869486530.db2.gz GOFKFUDBMKPJHX-AAEUAGOBSA-N 1 0 322.365 1.344 20 5 DDBDRO COCc1nn(-c2nc(Cl)c(C)cc2[N+](=O)[O-])c2c1C[NH2+]C2 ZINC001165632110 869660357 /nfs/dbraw/zinc/66/03/57/869660357.db2.gz NIOCLAXLTLSATM-UHFFFAOYSA-N 1 0 323.740 1.887 20 5 DDBDRO C[C@@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1cnccn1 ZINC001338407682 869964314 /nfs/dbraw/zinc/96/43/14/869964314.db2.gz JKFSYWWCECMEFP-YPMHNXCESA-N 1 0 318.333 1.475 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@H](O)c2cccnc2)c1 ZINC001338420242 869970848 /nfs/dbraw/zinc/97/08/48/869970848.db2.gz WGTKGVHXYLKCLY-GJZGRUSLSA-N 1 0 303.318 1.346 20 5 DDBDRO CN(C)C1(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CCOCC1 ZINC001338475540 870000628 /nfs/dbraw/zinc/00/06/28/870000628.db2.gz SRDLXLVEZSMCDM-HNNXBMFYSA-N 1 0 323.393 1.329 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1CCCC[C@H]1[NH+](C)C ZINC001338826696 870189857 /nfs/dbraw/zinc/18/98/57/870189857.db2.gz ZZAIGIFUQBNWAN-QWHCGFSZSA-N 1 0 323.397 1.479 20 5 DDBDRO CC(C)[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC001305225385 871267902 /nfs/dbraw/zinc/26/79/02/871267902.db2.gz OFESGJMIPQEYKB-WCQYABFASA-N 1 0 321.381 1.653 20 5 DDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(C[NH2+]C/C=C\Cl)CC1 ZINC001205229356 871446770 /nfs/dbraw/zinc/44/67/70/871446770.db2.gz ALRZSBRSLFRRJV-QBEVBOACSA-N 1 0 301.774 1.232 20 5 DDBDRO CN(CCC[NH+](C)C)C(=O)[C@@](C)(N)c1cccc([N+](=O)[O-])c1 ZINC001341359273 871619999 /nfs/dbraw/zinc/61/99/99/871619999.db2.gz LCZFQUMMRCLNQI-HNNXBMFYSA-N 1 0 308.382 1.179 20 5 DDBDRO CCC1([NH+]2CCCC2)CCN(c2nnc(C[N+](=O)[O-])n2C)CC1 ZINC001341371496 871624597 /nfs/dbraw/zinc/62/45/97/871624597.db2.gz KJJFKLDDZSMMBN-UHFFFAOYSA-N 1 0 322.413 1.437 20 5 DDBDRO COc1ccc(CC(=O)N(C)CC2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC001342120482 872017285 /nfs/dbraw/zinc/01/72/85/872017285.db2.gz FCQOSBXTHBTLFP-UHFFFAOYSA-N 1 0 321.377 1.604 20 5 DDBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N[C@H]1C[NH2+]CC12CC2 ZINC001342201032 872066776 /nfs/dbraw/zinc/06/67/76/872066776.db2.gz MRGLPFOKWAGFEU-AWEZNQCLSA-N 1 0 318.377 1.655 20 5 DDBDRO COc1cccc(C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1[N+](=O)[O-] ZINC001342773433 872376335 /nfs/dbraw/zinc/37/63/35/872376335.db2.gz XASYDZUZLZQTFK-WDEREUQCSA-N 1 0 305.334 1.285 20 5 DDBDRO C[C@@H]1CCN(CC[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC001346265842 873676179 /nfs/dbraw/zinc/67/61/79/873676179.db2.gz XPHGRYSRTIXPAN-UKRRQHHQSA-N 1 0 323.393 1.266 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CC(c3ccc(F)cc3)C2)c1 ZINC001347926521 874309644 /nfs/dbraw/zinc/30/96/44/874309644.db2.gz KWVNOBCANZBZDB-HNNXBMFYSA-N 1 0 320.324 1.391 20 5 DDBDRO CC[NH+]1CCN(C2CN(C(=O)c3ccccc3[N+](=O)[O-])C2)CC1 ZINC001348455463 874572001 /nfs/dbraw/zinc/57/20/01/874572001.db2.gz STWZHJHFWXSVTD-UHFFFAOYSA-N 1 0 318.377 1.057 20 5 DDBDRO C[C@H]1CN(C(=O)c2nn(C)cc2[N+](=O)[O-])CC[N@@H+]1C1CCCC1 ZINC001349381678 875143417 /nfs/dbraw/zinc/14/34/17/875143417.db2.gz FEEVJXASTFLGNO-NSHDSACASA-N 1 0 321.381 1.417 20 5 DDBDRO Cc1nc(N2CCC[C@@H]([NH2+]C3CCOCC3)C2)ncc1[N+](=O)[O-] ZINC001349773232 875361316 /nfs/dbraw/zinc/36/13/16/875361316.db2.gz ICPKNDKILHCWNC-CYBMUJFWSA-N 1 0 321.381 1.431 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@](C)(O)C[NH+](C)C)c1C ZINC001350362999 875647419 /nfs/dbraw/zinc/64/74/19/875647419.db2.gz SUNCHMSMINRNNG-OAHLLOKOSA-N 1 0 309.366 1.254 20 5 DDBDRO Cc1ccc(C(=O)NC[C@H]2C[NH2+]CCC2(F)F)cc1[N+](=O)[O-] ZINC001353173589 877161652 /nfs/dbraw/zinc/16/16/52/877161652.db2.gz FKFJLGHRSAIVNX-LLVKDONJSA-N 1 0 313.304 1.878 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H](OC[C@@H]1C[C@@H]3CC[NH2+]C[C@@H]3O1)C2 ZINC001217788170 877324793 /nfs/dbraw/zinc/32/47/93/877324793.db2.gz GZLJKVMEHCDJPM-STECZYCISA-N 1 0 318.373 1.846 20 5 DDBDRO N[C@H]1C[NH2+]C[C@@H]1C(=O)Nc1cc2cccnc2c2ncccc12 ZINC001218980476 877851031 /nfs/dbraw/zinc/85/10/31/877851031.db2.gz ZZAAEVFTXWBAOH-STQMWFEESA-N 1 0 307.357 1.268 20 5 DDBDRO C[NH+](C)[C@@H]1CC[C@@H]2CN(c3cc(N)c([N+](=O)[O-])cn3)C[C@@H]2C1 ZINC001354280382 877853763 /nfs/dbraw/zinc/85/37/63/877853763.db2.gz VGPKIKCHQKOJOW-GRYCIOLGSA-N 1 0 305.382 1.739 20 5 DDBDRO C[C@H](NC(=O)CO[C@@H]1CCC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC001354831098 878255275 /nfs/dbraw/zinc/25/52/75/878255275.db2.gz WLBNDAAQZYMESF-SMDDNHRTSA-N 1 0 307.350 1.541 20 5 DDBDRO C[NH2+]C[C@H](O)[C@H](C)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001357484436 879995908 /nfs/dbraw/zinc/99/59/08/879995908.db2.gz FQCZXEXAAUPHFW-NHYWBVRUSA-N 1 0 321.377 1.302 20 5 DDBDRO O=C(c1cc([N+](=O)[O-])cc2ccccc21)N1CC[NH2+]C[C@@H]1CO ZINC001358030597 880301953 /nfs/dbraw/zinc/30/19/53/880301953.db2.gz WQUAPCJQUOVVOX-CYBMUJFWSA-N 1 0 315.329 1.154 20 5 DDBDRO C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001358070540 880314174 /nfs/dbraw/zinc/31/41/74/880314174.db2.gz RPDFBVQTWVCNIY-GMSGAONNSA-N 1 0 317.267 1.951 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)OCc1nc2ccccc2s1 ZINC001222917048 880744570 /nfs/dbraw/zinc/74/45/70/880744570.db2.gz BOABQYRVFJQQQL-LLVKDONJSA-N 1 0 309.411 1.797 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)OCc1cccc2cnccc21 ZINC001223134906 880845698 /nfs/dbraw/zinc/84/56/98/880845698.db2.gz YZMIWJQJBBZMIS-OAHLLOKOSA-N 1 0 303.382 1.735 20 5 DDBDRO COc1cc(CO[C@@H]2C[C@@H]3CC(=O)C[C@H]2[N@@H+]3C)cc([N+](=O)[O-])c1 ZINC001223395736 880944432 /nfs/dbraw/zinc/94/44/32/880944432.db2.gz JKQPXBQCYCSAAD-IUIKQTSFSA-N 1 0 320.345 1.924 20 5 DDBDRO C[N@@H+]1[C@@H]2C[C@@H](Oc3ncc([N+](=O)[O-])c4nc[nH]c43)[C@H]1CC(=O)C2 ZINC001227693218 883136127 /nfs/dbraw/zinc/13/61/27/883136127.db2.gz OZCVOZBHQGJMRE-JVUFJMBOSA-N 1 0 317.305 1.049 20 5 DDBDRO COC(=O)c1cccc(O[C@@H]2C[NH+]3CCC2CC3)c1[N+](=O)[O-] ZINC001227891587 883217091 /nfs/dbraw/zinc/21/70/91/883217091.db2.gz CMMJJQNASPMBBO-CYBMUJFWSA-N 1 0 306.318 1.854 20 5 DDBDRO Cc1cccc2ccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)nc12 ZINC001228633930 883583748 /nfs/dbraw/zinc/58/37/48/883583748.db2.gz SYLFNLXSRCDWQR-CQSZACIVSA-N 1 0 303.382 1.906 20 5 DDBDRO CCOC(=O)Cc1c[nH]c(=S)nc1O[C@H](C)C[N+](C)(C)C ZINC001228714927 883637429 /nfs/dbraw/zinc/63/74/29/883637429.db2.gz YZVCYLVNUVYNHE-SNVBAGLBSA-O 1 0 314.431 1.344 20 5 DDBDRO C[N@H+](CCCNC(=O)C(F)F)Cc1ccc([N+](=O)[O-])cc1 ZINC001231017557 885140520 /nfs/dbraw/zinc/14/05/20/885140520.db2.gz CYMBGXWIHFGGAU-UHFFFAOYSA-N 1 0 301.293 1.798 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1c(O)cc(Cl)cc1F ZINC001234447017 887978125 /nfs/dbraw/zinc/97/81/25/887978125.db2.gz IHSUOORIUDNOTD-SECBINFHSA-O 1 0 306.741 1.547 20 5 DDBDRO CC[N@@H+]1CCC[C@@H](Oc2nc(NC(C)=O)nc(C)c2[N+](=O)[O-])C1 ZINC001234911802 888246868 /nfs/dbraw/zinc/24/68/68/888246868.db2.gz QSDWWKMDKFECKM-LLVKDONJSA-N 1 0 323.353 1.515 20 5 DDBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@@H]2C[NH2+]CCCO2)n1 ZINC001247750384 893339933 /nfs/dbraw/zinc/33/99/33/893339933.db2.gz AVWJLNSHJJNIKA-VIFPVBQESA-N 1 0 309.257 1.230 20 5 DDBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@@H]2C[NH2+]C[C@@H](F)C2)n1 ZINC001247781521 893368335 /nfs/dbraw/zinc/36/83/35/893368335.db2.gz JSQNLGYTRVLYKI-BQBZGAKWSA-N 1 0 311.248 1.594 20 5 DDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001254538796 896494528 /nfs/dbraw/zinc/49/45/28/896494528.db2.gz BRWBVFOPJCTUGK-NWDGAFQWSA-N 1 0 312.391 1.550 20 5 DDBDRO Cc1nnc2n1CCN([C@H](C)Cc1ccccc1[N+](=O)[O-])C2 ZINC001254562959 896502144 /nfs/dbraw/zinc/50/21/44/896502144.db2.gz SEIGHRWILCVEMH-LLVKDONJSA-N 1 0 301.350 1.942 20 5 DDBDRO CN1C[C@@H]2C[N@@H+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C[C@@H]2C1=O ZINC001254595041 896522736 /nfs/dbraw/zinc/52/27/36/896522736.db2.gz HZXQIRKJVXYYCC-YUELXQCFSA-N 1 0 301.346 1.082 20 5 DDBDRO CC(=O)NC1CC[NH+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254599661 896524739 /nfs/dbraw/zinc/52/47/39/896524739.db2.gz OBLNVPQDEAYXKM-INIZCTEOSA-N 1 0 303.362 1.663 20 5 DDBDRO Cc1nc(N(C)CC[NH+]2CC3(C2)CCOCC3)ncc1[N+](=O)[O-] ZINC001261852836 899788277 /nfs/dbraw/zinc/78/82/77/899788277.db2.gz PGEXWHGYWADVDN-UHFFFAOYSA-N 1 0 321.381 1.242 20 5 DDBDRO Cn1c(CCC[N+](=O)[O-])nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001262859963 900397895 /nfs/dbraw/zinc/39/78/95/900397895.db2.gz GQBNHLAJUWOUGW-UHFFFAOYSA-N 1 0 322.413 1.089 20 5 DDBDRO C[N@@H+]1CCCC[C@@H]1CNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC001263094413 900492914 /nfs/dbraw/zinc/49/29/14/900492914.db2.gz GFABFLMPVFRACR-OAHLLOKOSA-N 1 0 320.393 1.921 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)OCC12CCC[NH+](CCC1)C2 ZINC001263583248 900642043 /nfs/dbraw/zinc/64/20/43/900642043.db2.gz BINNZNLEOXWUAV-UHFFFAOYSA-N 1 0 322.365 1.519 20 5 DDBDRO COCC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001263823660 900741095 /nfs/dbraw/zinc/74/10/95/900741095.db2.gz SSMUNOOCWRKXIK-BETUJISGSA-N 1 0 307.350 1.226 20 5 DDBDRO CC(=O)N1CCC([N@H+](CCO)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001264755190 901337241 /nfs/dbraw/zinc/33/72/41/901337241.db2.gz KCBZISIQUDLKPM-UHFFFAOYSA-N 1 0 321.377 1.400 20 5 DDBDRO C[C@@H]1CC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)[C@H]1CO ZINC000248915825 282117546 /nfs/dbraw/zinc/11/75/46/282117546.db2.gz JUXRGGWZYHVNBA-MFKMUULPSA-N 1 0 318.333 1.848 20 5 DDBDRO COc1ccc(NC(=O)NCC2=CC[N@H+](C)CC2)cc1[N+](=O)[O-] ZINC000272857290 210250558 /nfs/dbraw/zinc/25/05/58/210250558.db2.gz RKJKLPXXNDKEMQ-UHFFFAOYSA-N 1 0 320.349 1.987 20 5 DDBDRO C[C@H](O)[C@H]1CC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000305857352 231076166 /nfs/dbraw/zinc/07/61/66/231076166.db2.gz KZGIXOGBDIVWGV-SLEUVZQESA-N 1 0 319.361 1.403 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)[C@H](C)C(C)(C)O ZINC000451363041 231077164 /nfs/dbraw/zinc/07/71/64/231077164.db2.gz RODGRUYBMLKLRL-LLVKDONJSA-N 1 0 309.366 1.933 20 5 DDBDRO O=[N+]([O-])c1cccc(OCC[N@H+]2CC[C@@](O)(C(F)F)C2)c1 ZINC000451437558 231095655 /nfs/dbraw/zinc/09/56/55/231095655.db2.gz LZVZYKAJNJGWHF-ZDUSSCGKSA-N 1 0 302.277 1.676 20 5 DDBDRO CO[C@@H]1C[C@@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000451475446 231106789 /nfs/dbraw/zinc/10/67/89/231106789.db2.gz CNVVDTUHSYRUNS-NWANDNLSSA-N 1 0 324.377 1.738 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCOCC23CCCCC3)c1 ZINC000451817930 231203137 /nfs/dbraw/zinc/20/31/37/231203137.db2.gz UQVIXPCJMWZJJD-AWEZNQCLSA-N 1 0 324.381 1.187 20 5 DDBDRO Cc1c(Cl)cc(S(=O)(=O)N(C)C2C[NH2+]C2)cc1[N+](=O)[O-] ZINC000090289963 185289515 /nfs/dbraw/zinc/28/95/15/185289515.db2.gz MXQOREXRAGESIF-UHFFFAOYSA-N 1 0 319.770 1.149 20 5 DDBDRO CC[N@@H+]1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000286637332 219097719 /nfs/dbraw/zinc/09/77/19/219097719.db2.gz SWQZTFPDSBMQKO-ZDUSSCGKSA-N 1 0 320.393 1.949 20 5 DDBDRO C[NH2+]C(C)(C)CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000272781448 210185589 /nfs/dbraw/zinc/18/55/89/210185589.db2.gz ALOMWEVPUPLCGV-UHFFFAOYSA-N 1 0 307.397 1.470 20 5 DDBDRO CN(CC1CC[NH+](C)CC1)c1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420587143 529865916 /nfs/dbraw/zinc/86/59/16/529865916.db2.gz PVLUUAWRBJXKEW-UHFFFAOYSA-N 1 0 306.366 1.472 20 5 DDBDRO C[N@H+](CCCCNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)C1CC1 ZINC000412432012 529883443 /nfs/dbraw/zinc/88/34/43/529883443.db2.gz ZAJYTHCWLLNSDV-UHFFFAOYSA-N 1 0 308.338 1.300 20 5 DDBDRO CCNC(=O)[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000292748704 282357201 /nfs/dbraw/zinc/35/72/01/282357201.db2.gz BAFQTZUDTODJMT-KBPBESRZSA-N 1 0 309.366 1.379 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC[N@H+](C)C2)c1 ZINC000108333542 185507226 /nfs/dbraw/zinc/50/72/26/185507226.db2.gz WFIGTMZEWKDZJA-NSHDSACASA-N 1 0 307.350 1.675 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000227064918 201790559 /nfs/dbraw/zinc/79/05/59/201790559.db2.gz CGLYLLHHZUHSHV-JQWIXIFHSA-N 1 0 313.379 1.261 20 5 DDBDRO COC[C@@]1(CNC(=O)/C=C\c2cccc([N+](=O)[O-])c2)CCC[NH2+]1 ZINC000323702338 282408618 /nfs/dbraw/zinc/40/86/18/282408618.db2.gz GHQRGDIOOUCTAS-WLMCBFPDSA-N 1 0 319.361 1.493 20 5 DDBDRO [NH3+]C[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000236198239 201925391 /nfs/dbraw/zinc/92/53/91/201925391.db2.gz RUUIDBFVWODELP-ZDUSSCGKSA-N 1 0 313.379 1.391 20 5 DDBDRO O=C(N[C@@H]1CC[NH2+]C1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000058233150 295761771 /nfs/dbraw/zinc/76/17/71/295761771.db2.gz NDUSWAMAODQXDW-GFCCVEGCSA-N 1 0 304.350 1.287 20 5 DDBDRO C[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)C[C@@H]1[NH+](C)C ZINC000358390806 299140072 /nfs/dbraw/zinc/14/00/72/299140072.db2.gz HXORIESJQAWOCA-YGRLFVJLSA-N 1 0 309.341 1.685 20 5 DDBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3F)[C@H]2C1 ZINC000272635806 210036471 /nfs/dbraw/zinc/03/64/71/210036471.db2.gz NRQJBUXITCRVNH-HZMBPMFUSA-N 1 0 307.325 1.900 20 5 DDBDRO Cc1ccc([C@H](C)[NH2+]CCN2C(=O)N[C@@H](C)C2=O)cc1[N+](=O)[O-] ZINC000459388730 233154426 /nfs/dbraw/zinc/15/44/26/233154426.db2.gz PFINXEZRLVIDKS-QWRGUYRKSA-N 1 0 320.349 1.494 20 5 DDBDRO CCC([NH3+])(CC)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000133487271 185989130 /nfs/dbraw/zinc/98/91/30/185989130.db2.gz YKGZGQYAGDNDFH-UHFFFAOYSA-N 1 0 315.395 1.699 20 5 DDBDRO C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])CC1(O)CCCC1 ZINC000152399921 186068856 /nfs/dbraw/zinc/06/88/56/186068856.db2.gz NWMXYPSHELZNEF-UHFFFAOYSA-N 1 0 307.350 1.431 20 5 DDBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C1 ZINC000155667307 186101107 /nfs/dbraw/zinc/10/11/07/186101107.db2.gz SMHJSAAFXPYIHT-LLVKDONJSA-N 1 0 322.365 1.403 20 5 DDBDRO CO[C@@H](C[NH3+])CC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000262887626 186319362 /nfs/dbraw/zinc/31/93/62/186319362.db2.gz OECHDSKKBWNOLD-CQSZACIVSA-N 1 0 309.366 1.696 20 5 DDBDRO CC[N@H+](CCCO)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000266846467 186357039 /nfs/dbraw/zinc/35/70/39/186357039.db2.gz ALKVBKWPNYNUIM-UHFFFAOYSA-N 1 0 309.366 1.936 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)n1 ZINC000331725254 234049597 /nfs/dbraw/zinc/04/95/97/234049597.db2.gz MPZRHBFUMSRBSC-MNOVXSKESA-N 1 0 307.354 1.168 20 5 DDBDRO CSCC[C@@H](C)[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000072665979 191211970 /nfs/dbraw/zinc/21/19/70/191211970.db2.gz OZRLKRWEXGKIDH-PWSUYJOCSA-N 1 0 302.400 1.226 20 5 DDBDRO C[C@@H](Cc1ccsc1)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000049181767 352552467 /nfs/dbraw/zinc/55/24/67/352552467.db2.gz MGLSQRQJOYEGFC-GWCFXTLKSA-N 1 0 310.379 1.435 20 5 DDBDRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000054375841 352690666 /nfs/dbraw/zinc/69/06/66/352690666.db2.gz PMVQBQCCURMVQR-LBPRGKRZSA-N 1 0 310.354 1.010 20 5 DDBDRO COc1ccc(C(=O)N2CC[NH+](CC3CC3)CC2)cc1[N+](=O)[O-] ZINC000055668909 352740493 /nfs/dbraw/zinc/74/04/93/352740493.db2.gz JIAMLSKGGXRXJH-UHFFFAOYSA-N 1 0 319.361 1.771 20 5 DDBDRO Cc1n[nH]c(C(=O)NCCCC[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000064336959 352934198 /nfs/dbraw/zinc/93/41/98/352934198.db2.gz DCNGCXQZYXTPMO-UHFFFAOYSA-N 1 0 323.397 1.868 20 5 DDBDRO C[N@@H+]1CCC[C@@H](NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000066050032 352975368 /nfs/dbraw/zinc/97/53/68/352975368.db2.gz WMMUBKBQKYMSTM-CYBMUJFWSA-N 1 0 316.361 1.760 20 5 DDBDRO C[C@@H]1COCC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000331926348 234285220 /nfs/dbraw/zinc/28/52/20/234285220.db2.gz CUZOQUDSTBRKHI-GXTWGEPZSA-N 1 0 310.350 1.303 20 5 DDBDRO Cc1cc(C)c(S(=O)(=O)N[C@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000344922681 282871302 /nfs/dbraw/zinc/87/13/02/282871302.db2.gz VQESYRDGVKOMTO-LLVKDONJSA-N 1 0 315.395 1.440 20 5 DDBDRO COC(=O)CC[N@@H+]1CCN(Cc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000182091151 199385535 /nfs/dbraw/zinc/38/55/35/199385535.db2.gz NUHDTCQNKPTBHW-ZDUSSCGKSA-N 1 0 321.377 1.664 20 5 DDBDRO CCc1ccc(C(=O)NCC[N@H+](C)CCOC)cc1[N+](=O)[O-] ZINC000174169629 198300883 /nfs/dbraw/zinc/30/08/83/198300883.db2.gz AQCZARHDLVBREQ-UHFFFAOYSA-N 1 0 309.366 1.465 20 5 DDBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)CCn2cc([N+](=O)[O-])nc2C)C1 ZINC000174169345 198300967 /nfs/dbraw/zinc/30/09/67/198300967.db2.gz NCQNSJSUUWWYGN-CYBMUJFWSA-N 1 0 323.397 1.433 20 5 DDBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000174536430 198348822 /nfs/dbraw/zinc/34/88/22/198348822.db2.gz UOVLNXXCOWEEKH-CYBMUJFWSA-N 1 0 321.377 1.774 20 5 DDBDRO O=C1CC2(CN1)CC[NH+](CCOc1ccccc1[N+](=O)[O-])CC2 ZINC000075012706 353341802 /nfs/dbraw/zinc/34/18/02/353341802.db2.gz RYNULLZBICCTGE-UHFFFAOYSA-N 1 0 319.361 1.576 20 5 DDBDRO CC[C@@H](CO)[NH+]1CCN(Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000075962709 353387607 /nfs/dbraw/zinc/38/76/07/353387607.db2.gz HTVRRANWBYCLDO-HNNXBMFYSA-N 1 0 307.394 1.792 20 5 DDBDRO Nc1nc(N[C@H]2CC[N@H+](CC3CCCC3)C2)ncc1[N+](=O)[O-] ZINC000078527215 353520951 /nfs/dbraw/zinc/52/09/51/353520951.db2.gz QNGSKOKPQVXHCT-NSHDSACASA-N 1 0 306.370 1.643 20 5 DDBDRO C[NH+](C)CCn1cc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)cn1 ZINC000127389021 354063561 /nfs/dbraw/zinc/06/35/61/354063561.db2.gz RLVMTKUUXCPSKG-UHFFFAOYSA-N 1 0 318.337 1.997 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000142137978 354143124 /nfs/dbraw/zinc/14/31/24/354143124.db2.gz LYCKUTBKOAKPNE-ZDUSSCGKSA-N 1 0 319.361 1.914 20 5 DDBDRO C[C@H]1C[C@@H]([NH3+])CCN1S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000156157173 354217297 /nfs/dbraw/zinc/21/72/97/354217297.db2.gz KTHKCMPIYJYFLC-JQWIXIFHSA-N 1 0 313.379 1.236 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@]2(CCOC2)C1 ZINC000153491865 354199724 /nfs/dbraw/zinc/19/97/24/354199724.db2.gz KBXKJKSZVNDGLI-INIZCTEOSA-N 1 0 319.361 1.954 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@H]([NH3+])C[C@H]1C ZINC000228341965 354322595 /nfs/dbraw/zinc/32/25/95/354322595.db2.gz KNVCAPGFEFFBOY-MNOVXSKESA-N 1 0 313.379 1.404 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000320005025 354524939 /nfs/dbraw/zinc/52/49/39/354524939.db2.gz ICOCKBFWNPAOSG-VHSXEESVSA-N 1 0 301.368 1.307 20 5 DDBDRO C[C@H](NC(=O)NC[C@]1(O)CC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000358668489 299218440 /nfs/dbraw/zinc/21/84/40/299218440.db2.gz XNRIFYZIDPGCGH-XHDPSFHLSA-N 1 0 322.365 1.022 20 5 DDBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H]2COCC[C@H]2O)cc1[N+](=O)[O-] ZINC000601306640 358488923 /nfs/dbraw/zinc/48/89/23/358488923.db2.gz NOXHNNDTVQZWNJ-MPKXVKKWSA-N 1 0 310.350 1.794 20 5 DDBDRO C[NH+](C)[C@H]1CCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C1 ZINC000587857263 354886298 /nfs/dbraw/zinc/88/62/98/354886298.db2.gz FNHISMIYPMEWMZ-JTQLQIEISA-N 1 0 303.322 1.384 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2CC[N@H+](CC3CC3)C2)n1 ZINC000587973720 354888185 /nfs/dbraw/zinc/88/81/85/354888185.db2.gz XVYBWTYTNUQCFN-LLVKDONJSA-N 1 0 320.349 1.673 20 5 DDBDRO O=[N+]([O-])c1cncc(Cl)c1N1CCC([NH2+]CCO)CC1 ZINC000589112382 354960979 /nfs/dbraw/zinc/96/09/79/354960979.db2.gz KPWDBLIZFRKBKM-UHFFFAOYSA-N 1 0 300.746 1.194 20 5 DDBDRO Cc1cc(C(=O)N2CC[C@@H]([N@@H+]3CC[C@H](O)C3)C2)cc([N+](=O)[O-])c1 ZINC000588860630 354943389 /nfs/dbraw/zinc/94/33/89/354943389.db2.gz KIAFLSQLMLJQHT-HIFRSBDPSA-N 1 0 319.361 1.184 20 5 DDBDRO Cc1cccc(C(=O)N2CC[C@@H]([N@@H+]3CC[C@@H](O)C3)C2)c1[N+](=O)[O-] ZINC000588863634 354944170 /nfs/dbraw/zinc/94/41/70/354944170.db2.gz SGMITZDFPYJMLW-CHWSQXEVSA-N 1 0 319.361 1.184 20 5 DDBDRO C[N@@H+]1C[C@H]2CCN(Cc3cc([N+](=O)[O-])cc4c3OCOC4)[C@@H]2C1 ZINC000590010676 355040068 /nfs/dbraw/zinc/04/00/68/355040068.db2.gz OSRDJTJXTLYSJK-IAQYHMDHSA-N 1 0 319.361 1.597 20 5 DDBDRO CC[C@H]1C[N@H+](C)CCCN1C(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000590344482 355075171 /nfs/dbraw/zinc/07/51/71/355075171.db2.gz TYXRBPVZCXPUKN-NSHDSACASA-N 1 0 323.397 1.998 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)C[C@H]1CCOC1 ZINC000494946033 235105964 /nfs/dbraw/zinc/10/59/64/235105964.db2.gz HFSZKYQSPVZLLK-GFCCVEGCSA-N 1 0 307.350 1.810 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC2(C1)CC[NH+](C)CC2 ZINC000590547888 355110942 /nfs/dbraw/zinc/11/09/42/355110942.db2.gz KUCLYDQSOCOTDL-UHFFFAOYSA-N 1 0 321.381 1.044 20 5 DDBDRO CNc1c(C(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)cccc1[N+](=O)[O-] ZINC000590443457 355097383 /nfs/dbraw/zinc/09/73/83/355097383.db2.gz KKVUJZJVTKDJAD-GXFFZTMASA-N 1 0 304.350 1.413 20 5 DDBDRO COc1cc(C[NH2+]C[C@H]2CCCNC2=O)c([N+](=O)[O-])cc1OC ZINC000590971926 355227073 /nfs/dbraw/zinc/22/70/73/355227073.db2.gz WYPHMWIDAVQSGI-SNVBAGLBSA-N 1 0 323.349 1.228 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000591270621 355274607 /nfs/dbraw/zinc/27/46/07/355274607.db2.gz YVVPWUFHTHKMDZ-RNCFNFMXSA-N 1 0 324.337 1.183 20 5 DDBDRO CNC(=O)c1ccc(N2CC[C@@H]3CC[NH2+][C@H]3C2)c([N+](=O)[O-])c1 ZINC000591439387 355311243 /nfs/dbraw/zinc/31/12/43/355311243.db2.gz UKHKIEMTNXIRPB-JQWIXIFHSA-N 1 0 304.350 1.143 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000591301645 355284057 /nfs/dbraw/zinc/28/40/57/355284057.db2.gz LGQVUAXGBHKZRW-SMDDNHRTSA-N 1 0 322.365 1.792 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]Cc2ccc(Cl)o2)c1 ZINC000591725344 355372140 /nfs/dbraw/zinc/37/21/40/355372140.db2.gz QZXBJARWKZRVRB-VIFPVBQESA-N 1 0 300.702 1.188 20 5 DDBDRO Cc1cc(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000591740933 355375783 /nfs/dbraw/zinc/37/57/83/355375783.db2.gz KPPBQZKKHLNHGR-CYBMUJFWSA-N 1 0 306.322 1.156 20 5 DDBDRO O=[N+]([O-])c1cccc(CC[NH2+]C[C@H](O)COC2CCOCC2)c1 ZINC000591758023 355378835 /nfs/dbraw/zinc/37/88/35/355378835.db2.gz KVWDETJOTCWAMJ-HNNXBMFYSA-N 1 0 324.377 1.283 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc3c(c2)C[NH2+]C3)n1 ZINC000591684968 355361506 /nfs/dbraw/zinc/36/15/06/355361506.db2.gz MDZMPOLHOFPILW-UHFFFAOYSA-N 1 0 301.306 1.667 20 5 DDBDRO CC[C@H]1CN(C(=O)CCNc2ccccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000592332348 355561181 /nfs/dbraw/zinc/56/11/81/355561181.db2.gz WXGFFSMHJFMJRG-STQMWFEESA-N 1 0 320.393 1.983 20 5 DDBDRO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NC[C@H]1CCCC[NH2+]1 ZINC000592439691 355584515 /nfs/dbraw/zinc/58/45/15/355584515.db2.gz FAGSUARFKXYXRI-GFCCVEGCSA-N 1 0 316.361 1.877 20 5 DDBDRO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NC[C@H]1CCCC[NH2+]1 ZINC000592440787 355585197 /nfs/dbraw/zinc/58/51/97/355585197.db2.gz XHRBZOXNTIATOA-CYBMUJFWSA-N 1 0 316.361 1.808 20 5 DDBDRO CCOc1ccc(C(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000592477148 355593930 /nfs/dbraw/zinc/59/39/30/355593930.db2.gz OUSVATOGLOJNFP-IINYFYTJSA-N 1 0 323.349 1.182 20 5 DDBDRO O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000592544897 355623453 /nfs/dbraw/zinc/62/34/53/355623453.db2.gz JQGOPQQICBUDJQ-KOLCDFICSA-N 1 0 319.317 1.148 20 5 DDBDRO CCCN(C(=O)CNc1ccccc1[N+](=O)[O-])[C@@H]1CC[N@H+](C)C1 ZINC000592831322 355707259 /nfs/dbraw/zinc/70/72/59/355707259.db2.gz KSRDFPWAWNACLA-CYBMUJFWSA-N 1 0 320.393 1.949 20 5 DDBDRO C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593109384 355800970 /nfs/dbraw/zinc/80/09/70/355800970.db2.gz IWIBUZYRYAJFKV-GHMZBOCLSA-N 1 0 309.341 1.827 20 5 DDBDRO C[N@@H+]1C[C@H]2CCN(C(=O)Cc3ccc(F)cc3[N+](=O)[O-])[C@H]2C1 ZINC000593720279 355976485 /nfs/dbraw/zinc/97/64/85/355976485.db2.gz JPMZGUOOVYVVRN-RISCZKNCSA-N 1 0 307.325 1.439 20 5 DDBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](CO)CCF ZINC000593686297 355967155 /nfs/dbraw/zinc/96/71/55/355967155.db2.gz LJFVREHNSGZXRK-JQWIXIFHSA-N 1 0 313.329 1.622 20 5 DDBDRO CN(CC[NH+]1CCCCC1)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000593884779 356040861 /nfs/dbraw/zinc/04/08/61/356040861.db2.gz WPQOCYGXJQHBCQ-UHFFFAOYSA-N 1 0 321.377 1.918 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H](C)[C@H]2CC[NH3+])n1 ZINC000593914222 356057289 /nfs/dbraw/zinc/05/72/89/356057289.db2.gz BEIQIFJPXFVLSR-WDEREUQCSA-N 1 0 309.370 1.401 20 5 DDBDRO Cc1c(CNC(=O)[C@H]2C[C@@]23CCC[NH2+]C3)cccc1[N+](=O)[O-] ZINC000594446302 356219040 /nfs/dbraw/zinc/21/90/40/356219040.db2.gz PKUQVFDNTIAAGE-CZUORRHYSA-N 1 0 303.362 1.909 20 5 DDBDRO COc1cc(C(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)cc([N+](=O)[O-])c1OC ZINC000272273746 209657455 /nfs/dbraw/zinc/65/74/55/209657455.db2.gz NXHXICOKBAKVCM-NXEZZACHSA-N 1 0 323.349 1.421 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1CN[C@H](C[NH3+])C(F)(F)F ZINC000594583265 356256198 /nfs/dbraw/zinc/25/61/98/356256198.db2.gz GHBKGJFWRRNXEU-LLVKDONJSA-N 1 0 307.272 1.973 20 5 DDBDRO [NH3+][C@H](c1cn(-c2ccc(O)cc2[N+](=O)[O-])nn1)[C@@H]1CCCO1 ZINC000594651972 356275406 /nfs/dbraw/zinc/27/54/06/356275406.db2.gz GYXWVKJXKJFJKB-QWHCGFSZSA-N 1 0 305.294 1.060 20 5 DDBDRO Cc1ccc(C[NH2+][C@@H]2CC[C@H](C)S(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000594973480 356366499 /nfs/dbraw/zinc/36/64/99/356366499.db2.gz CTJWHLMQYBFMJW-WCQYABFASA-N 1 0 312.391 1.959 20 5 DDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)C[NH2+]C ZINC000595122448 356386759 /nfs/dbraw/zinc/38/67/59/356386759.db2.gz SJPUZLRMWSFEGO-SECBINFHSA-N 1 0 301.368 1.043 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC[C@@H](C)[NH+](C)C ZINC000595126922 356387617 /nfs/dbraw/zinc/38/76/17/356387617.db2.gz XTQTXJJGPMSHBC-LLVKDONJSA-N 1 0 322.365 1.298 20 5 DDBDRO C[C@@H]1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C[C@@H]1[NH3+] ZINC000595229457 356412012 /nfs/dbraw/zinc/41/20/12/356412012.db2.gz ZRLOWGXFTHSXIE-KOLCDFICSA-N 1 0 302.334 1.885 20 5 DDBDRO C[C@@H](NC(=O)NCC12CC(C1)C[NH2+]2)c1ccccc1[N+](=O)[O-] ZINC000595264025 356425289 /nfs/dbraw/zinc/42/52/89/356425289.db2.gz GZAPIJIMGKMYOX-RWWNRMGGSA-N 1 0 304.350 1.707 20 5 DDBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000081362742 192257399 /nfs/dbraw/zinc/25/73/99/192257399.db2.gz NRFIZTDRRQFFAR-CYBMUJFWSA-N 1 0 323.397 1.372 20 5 DDBDRO COC[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1cccc(OC)c1 ZINC000595684855 356609377 /nfs/dbraw/zinc/60/93/77/356609377.db2.gz QVRZXNNEQHJNCW-CQSZACIVSA-N 1 0 320.349 1.777 20 5 DDBDRO C[C@H](CO)[C@@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000595679069 356607466 /nfs/dbraw/zinc/60/74/66/356607466.db2.gz UTICLVPURXOESR-OCCSQVGLSA-N 1 0 309.366 1.239 20 5 DDBDRO O=C1CC[C@H]2C[N@H+](CCOc3ccc([N+](=O)[O-])cc3)CC[C@H]2N1 ZINC000595745625 356633929 /nfs/dbraw/zinc/63/39/29/356633929.db2.gz YSSWJUZDQKGQDK-SWLSCSKDSA-N 1 0 319.361 1.574 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC000595736343 356628601 /nfs/dbraw/zinc/62/86/01/356628601.db2.gz FAVGTCMYXPGLPT-FZMZJTMJSA-N 1 0 319.361 1.704 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H]1C[C@@H](O)C12CCC2 ZINC000595780789 356649874 /nfs/dbraw/zinc/64/98/74/356649874.db2.gz IGENPKFQOMIVSG-ZIAGYGMSSA-N 1 0 319.361 1.735 20 5 DDBDRO CCOc1cc(C(=O)NCC(C)(C)[NH3+])c([N+](=O)[O-])cc1OC ZINC000237034473 202128458 /nfs/dbraw/zinc/12/84/58/202128458.db2.gz HYIVOBYDYFWVKJ-UHFFFAOYSA-N 1 0 311.338 1.469 20 5 DDBDRO C[C@H]1COC2(CCCC2)C[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000595816416 356662017 /nfs/dbraw/zinc/66/20/17/356662017.db2.gz WZMKQJBKGLOCLA-JSGCOSHPSA-N 1 0 324.381 1.186 20 5 DDBDRO NC(=O)c1ccc(C[N@@H+]2CC[C@@H]3COC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000595828452 356667244 /nfs/dbraw/zinc/66/72/44/356667244.db2.gz FASTVKPTQAMWQI-OLZOCXBDSA-N 1 0 305.334 1.162 20 5 DDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@H](C)[C@](C)(CO)C1 ZINC000595880769 356689397 /nfs/dbraw/zinc/68/93/97/356689397.db2.gz ZBVMGICFWAKHGC-OZVIIMIRSA-N 1 0 321.377 1.872 20 5 DDBDRO CN(CCOc1ccccc1[N+](=O)[O-])[C@H](C[NH3+])C(F)(F)F ZINC000595906861 356701112 /nfs/dbraw/zinc/70/11/12/356701112.db2.gz AUOAQSCRKXNXPF-LLVKDONJSA-N 1 0 307.272 1.795 20 5 DDBDRO C[NH2+]C1CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC1 ZINC000237148175 202167004 /nfs/dbraw/zinc/16/70/04/202167004.db2.gz WDCPARYLHKNAQD-UHFFFAOYSA-N 1 0 318.377 1.993 20 5 DDBDRO Cc1ccc(NCCCNC(=O)CC2([NH3+])CC2)c([N+](=O)[O-])c1 ZINC000595939360 356714477 /nfs/dbraw/zinc/71/44/77/356714477.db2.gz WNWWZQHZMSJRFZ-UHFFFAOYSA-N 1 0 306.366 1.703 20 5 DDBDRO CC(C)[N@@H+]1CCCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000596111070 356776007 /nfs/dbraw/zinc/77/60/07/356776007.db2.gz WLHHWUXRFXAUKG-UHFFFAOYSA-N 1 0 306.366 1.614 20 5 DDBDRO CC(C)[NH2+]C1(CO)CCN(c2ncc([N+](=O)[O-])cc2F)CC1 ZINC000596251715 356833066 /nfs/dbraw/zinc/83/30/66/356833066.db2.gz XEXPPWXBUKPIFV-UHFFFAOYSA-N 1 0 312.345 1.458 20 5 DDBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596232917 356826067 /nfs/dbraw/zinc/82/60/67/356826067.db2.gz UCLKDFINMJJDFD-WCQYABFASA-N 1 0 318.377 1.757 20 5 DDBDRO C[NH+](C)C[C@H](CO)Nc1ccc([N+](=O)[O-])cc1Br ZINC000596242334 356829915 /nfs/dbraw/zinc/82/99/15/356829915.db2.gz DNBJGPMBTDIZPA-MRVPVSSYSA-N 1 0 318.171 1.692 20 5 DDBDRO CC[N@@H+]1CCCN(c2ccc(C(=O)NC)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000596268626 356839099 /nfs/dbraw/zinc/83/90/99/356839099.db2.gz KTTHQRJSXAMVEM-LBPRGKRZSA-N 1 0 320.393 1.875 20 5 DDBDRO COc1cc(C(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)ccc1[N+](=O)[O-] ZINC000237236636 202200046 /nfs/dbraw/zinc/20/00/46/202200046.db2.gz RQYOXQGHXAQJIZ-ZYHUDNBSSA-N 1 0 307.350 1.803 20 5 DDBDRO COc1cc(OCC(=O)N2CCCC[C@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000237225173 202195791 /nfs/dbraw/zinc/19/57/91/202195791.db2.gz CETFVLJRTLPSNI-NSHDSACASA-N 1 0 323.349 1.322 20 5 DDBDRO Cn1cc(C[N@H+](C)C2(CO)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000597254296 357110684 /nfs/dbraw/zinc/11/06/84/357110684.db2.gz IOLXJKPCDATSDD-UHFFFAOYSA-N 1 0 316.361 1.952 20 5 DDBDRO CCN(C(=O)CCn1cc([N+](=O)[O-])nc1C)[C@@H]1CC[N@H+](CC)C1 ZINC000598040095 357438550 /nfs/dbraw/zinc/43/85/50/357438550.db2.gz CHALXWZIIYPPOU-CYBMUJFWSA-N 1 0 323.397 1.433 20 5 DDBDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000598266497 357514996 /nfs/dbraw/zinc/51/49/96/357514996.db2.gz YTPJBZWPRRWAHB-CYBMUJFWSA-N 1 0 323.397 1.418 20 5 DDBDRO CC[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2OC)C[C@H](C)[NH2+]1 ZINC000598532237 357623633 /nfs/dbraw/zinc/62/36/33/357623633.db2.gz VWKIPBXFCMMEKV-WDEREUQCSA-N 1 0 307.350 1.816 20 5 DDBDRO CC[N@@H+]1CCCN(c2nccc(C(=O)OC)c2[N+](=O)[O-])CC1 ZINC000598596708 357646903 /nfs/dbraw/zinc/64/69/03/357646903.db2.gz UBEKIBLEVJCTFM-UHFFFAOYSA-N 1 0 308.338 1.308 20 5 DDBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCN1CC[C@@H](O)C1 ZINC000599084993 357810526 /nfs/dbraw/zinc/81/05/26/357810526.db2.gz IGQCPERNWSMCSN-DZGCQCFKSA-N 1 0 307.394 1.572 20 5 DDBDRO O=[N+]([O-])c1c2ccncc2ccc1N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000599100709 357815934 /nfs/dbraw/zinc/81/59/34/357815934.db2.gz MHQMDAHCXNIRIB-QWHCGFSZSA-N 1 0 314.345 1.398 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H](O)[C@@H]1CCCO1 ZINC000598990201 357785949 /nfs/dbraw/zinc/78/59/49/357785949.db2.gz KEIIUBVFGNENQE-ZFWWWQNUSA-N 1 0 310.350 1.623 20 5 DDBDRO C[N@@H+]1CCCC[C@@H](CNc2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000599141814 357827821 /nfs/dbraw/zinc/82/78/21/357827821.db2.gz RLWFQJQDZDEQIY-NSHDSACASA-N 1 0 306.366 1.838 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCC[N@@H+]1CC[C@@H](O)C1 ZINC000599176322 357840128 /nfs/dbraw/zinc/84/01/28/357840128.db2.gz QRUNJJXQAZALOU-LLVKDONJSA-N 1 0 323.349 1.168 20 5 DDBDRO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000599625489 357997007 /nfs/dbraw/zinc/99/70/07/357997007.db2.gz MHESYJLWLJYMTL-PVTKRXDGSA-N 1 0 321.377 1.959 20 5 DDBDRO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000599625486 357997023 /nfs/dbraw/zinc/99/70/23/357997023.db2.gz MHESYJLWLJYMTL-AZKPJATDSA-N 1 0 321.377 1.959 20 5 DDBDRO Cc1c(NC(=O)[C@H](C)[N@H+](C)C[C@H]2C[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC000599672295 358018084 /nfs/dbraw/zinc/01/80/84/358018084.db2.gz KXPMNOGLFJGYCA-RWMBFGLXSA-N 1 0 321.377 1.933 20 5 DDBDRO NC(=O)c1ccc(C[N@@H+]2CC[C@@H]3CC[C@@H](O)[C@@H]32)c([N+](=O)[O-])c1 ZINC000599681983 358023024 /nfs/dbraw/zinc/02/30/24/358023024.db2.gz SXTSGHCYWINZCP-CUOATXAZSA-N 1 0 305.334 1.039 20 5 DDBDRO COc1ccc([C@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)C2CC2)cn1 ZINC000599699894 358031208 /nfs/dbraw/zinc/03/12/08/358031208.db2.gz NTJZSINXNHSSJH-OAHLLOKOSA-N 1 0 317.349 1.936 20 5 DDBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NCCOCCC[NH3+] ZINC000599935086 358085067 /nfs/dbraw/zinc/08/50/67/358085067.db2.gz QKRFORCGODLAPK-UHFFFAOYSA-N 1 0 324.381 1.144 20 5 DDBDRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)c3c(Cl)cccc3[N+](=O)[O-])C[C@H]21 ZINC000600000221 358100909 /nfs/dbraw/zinc/10/09/09/358100909.db2.gz SLBLZWKFGZSZKV-WOFXILAISA-N 1 0 309.753 1.880 20 5 DDBDRO COC(=O)c1cnc(N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c([N+](=O)[O-])c1 ZINC000276627924 213009893 /nfs/dbraw/zinc/00/98/93/213009893.db2.gz VRYGDUKREGRVPS-RYUDHWBXSA-N 1 0 320.349 1.815 20 5 DDBDRO O=[N+]([O-])c1ccc(OCc2cn(C[C@@H]3CCC[NH2+]3)nn2)cc1 ZINC000600976737 358366025 /nfs/dbraw/zinc/36/60/25/358366025.db2.gz XOJIMBODENDVHP-NSHDSACASA-N 1 0 303.322 1.517 20 5 DDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000181113441 199254924 /nfs/dbraw/zinc/25/49/24/199254924.db2.gz FRMIYPPTLPLTKX-GFCCVEGCSA-N 1 0 318.377 1.735 20 5 DDBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000181139024 199256330 /nfs/dbraw/zinc/25/63/30/199256330.db2.gz WVDVXQVBYOHAPU-GFCCVEGCSA-N 1 0 320.393 1.981 20 5 DDBDRO CCC1([NH+](C)C)CCN(C(=O)Cn2cc([N+](=O)[O-])nc2C)CC1 ZINC000601790823 358696678 /nfs/dbraw/zinc/69/66/78/358696678.db2.gz CPMXRVOCHPBFRY-UHFFFAOYSA-N 1 0 323.397 1.433 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1C[C@H]([NH+](C)C)C1(C)C ZINC000602175168 358864316 /nfs/dbraw/zinc/86/43/16/358864316.db2.gz WOTQJNVOLNUICW-RYUDHWBXSA-N 1 0 323.397 1.335 20 5 DDBDRO C[C@H](CN1CCOCC1)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602516286 359022546 /nfs/dbraw/zinc/02/25/46/359022546.db2.gz XQCHWEPPIQTNJR-LLVKDONJSA-N 1 0 320.349 1.546 20 5 DDBDRO O=C(CNc1ccccc1[N+](=O)[O-])N[C@@H]1CC[NH2+]C12CCC2 ZINC000602530781 359030031 /nfs/dbraw/zinc/03/00/31/359030031.db2.gz HEUWESYIKWPAGD-CYBMUJFWSA-N 1 0 304.350 1.408 20 5 DDBDRO C[C@@H]1CC[C@H](NC(=O)CN(C)c2ccccc2[N+](=O)[O-])C[NH2+]1 ZINC000602556566 359043344 /nfs/dbraw/zinc/04/33/44/359043344.db2.gz WCAIMGYLOOVYLV-NEPJUHHUSA-N 1 0 306.366 1.288 20 5 DDBDRO CC[C@H](C)[C@H](O)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602564865 359047112 /nfs/dbraw/zinc/04/71/12/359047112.db2.gz POLTUAJGZBBRBD-SWLSCSKDSA-N 1 0 322.409 1.955 20 5 DDBDRO Cn1cc(CN2CC[C@H](C[N@H+](C)CC3CC3)C2)c([N+](=O)[O-])n1 ZINC000602479860 359006356 /nfs/dbraw/zinc/00/63/56/359006356.db2.gz RGSZSPOIXZSPRB-CYBMUJFWSA-N 1 0 307.398 1.492 20 5 DDBDRO C[C@H](O)C[C@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602604555 359068315 /nfs/dbraw/zinc/06/83/15/359068315.db2.gz YURQEXQSQSUTAT-RYUDHWBXSA-N 1 0 308.382 1.708 20 5 DDBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]C[C@]1(O)CCOC1 ZINC000602581164 359054360 /nfs/dbraw/zinc/05/43/60/359054360.db2.gz FBFJMDXOZJWGIU-GFCCVEGCSA-N 1 0 320.267 1.855 20 5 DDBDRO CC(C)(C[NH2+]CCc1cccc([N+](=O)[O-])c1)N1CCOCC1 ZINC000602581624 359054720 /nfs/dbraw/zinc/05/47/20/359054720.db2.gz XEJVDMPIRZGURS-UHFFFAOYSA-N 1 0 307.394 1.838 20 5 DDBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000602588169 359058058 /nfs/dbraw/zinc/05/80/58/359058058.db2.gz MBLZRQANHWPSMO-ONGXEEELSA-N 1 0 307.375 1.893 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000602793659 359195917 /nfs/dbraw/zinc/19/59/17/359195917.db2.gz CFASUUYFDAMPIL-CQSZACIVSA-N 1 0 308.382 1.848 20 5 DDBDRO COC(=O)[C@H]1CC12CC[NH+](CCn1c(C)ncc1[N+](=O)[O-])CC2 ZINC000602784007 359188936 /nfs/dbraw/zinc/18/89/36/359188936.db2.gz GJZANCIZHLWSQH-GFCCVEGCSA-N 1 0 322.365 1.375 20 5 DDBDRO CO[C@](C)(C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1)C1CC1 ZINC000602686175 359124654 /nfs/dbraw/zinc/12/46/54/359124654.db2.gz BEWUDDBKOVZXAG-MRXNPFEDSA-N 1 0 320.393 1.927 20 5 DDBDRO Cc1c(C[NH+]2C[C@]3(C)C(=O)NC(=O)[C@@]3(C)C2)cccc1[N+](=O)[O-] ZINC000602726437 359151830 /nfs/dbraw/zinc/15/18/30/359151830.db2.gz WQMCXADCVWAZBL-HZPDHXFCSA-N 1 0 317.345 1.388 20 5 DDBDRO CO[C@H]1C[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000602728632 359152833 /nfs/dbraw/zinc/15/28/33/359152833.db2.gz CCIIBZWQNQQODN-MQMHXKEQSA-N 1 0 306.366 1.726 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@@H](O)C[C@@H]1c1ccccc1 ZINC000602839814 359228551 /nfs/dbraw/zinc/22/85/51/359228551.db2.gz IVAMJXIHFUMBNX-LSDHHAIUSA-N 1 0 316.361 1.908 20 5 DDBDRO CC(C)OC(=O)C[C@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])C(C)C ZINC000602872116 359255443 /nfs/dbraw/zinc/25/54/43/359255443.db2.gz CSORXDSOJOZWQM-LBPRGKRZSA-N 1 0 312.370 1.784 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](CO)[C@H](C)c1ccccc1 ZINC000602809049 359205467 /nfs/dbraw/zinc/20/54/67/359205467.db2.gz DWXNSMTXJWJQLY-IUODEOHRSA-N 1 0 318.377 1.854 20 5 DDBDRO CC[N@H+]1[C@H](C)CN(CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000602874575 359257027 /nfs/dbraw/zinc/25/70/27/359257027.db2.gz QNYGLVDDWUXRGY-BETUJISGSA-N 1 0 320.393 1.948 20 5 DDBDRO CC[N@H+](CCn1c(C)ncc1[N+](=O)[O-])C[C@@H](O)C(F)(F)F ZINC000602809675 359206667 /nfs/dbraw/zinc/20/66/67/359206667.db2.gz CDWHCBBZWFMONB-SECBINFHSA-N 1 0 310.276 1.345 20 5 DDBDRO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@H]3CCc4ncnn43)CC2)n1 ZINC000602819527 359214945 /nfs/dbraw/zinc/21/49/45/359214945.db2.gz SWKOOAKNOBBQGY-GFCCVEGCSA-N 1 0 317.353 1.207 20 5 DDBDRO COc1ccc(CN2CCC[C@](O)(C[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000602889843 359272984 /nfs/dbraw/zinc/27/29/84/359272984.db2.gz DZJSJRJQIUALNZ-INIZCTEOSA-N 1 0 323.393 1.492 20 5 DDBDRO CCN(C(=O)Nc1c(C)cncc1[N+](=O)[O-])[C@@H]1CC[N@H+](CC)C1 ZINC000602961629 359324861 /nfs/dbraw/zinc/32/48/61/359324861.db2.gz XZMKUTDSPXHDIS-GFCCVEGCSA-N 1 0 321.381 1.668 20 5 DDBDRO CCN(C)C(=O)CC[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602963277 359326013 /nfs/dbraw/zinc/32/60/13/359326013.db2.gz UGLXXDMULUXKFM-OAHLLOKOSA-N 1 0 309.366 1.260 20 5 DDBDRO CCOc1cc(Cn2cc(C[NH2+]C3CC3)nn2)ccc1[N+](=O)[O-] ZINC000603239095 359506441 /nfs/dbraw/zinc/50/64/41/359506441.db2.gz SHQZLMPVWPVCHH-UHFFFAOYSA-N 1 0 317.349 1.885 20 5 DDBDRO CC(C)[NH+](CCNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)C(C)C ZINC000186749497 200002866 /nfs/dbraw/zinc/00/28/66/200002866.db2.gz LXMIOHJTMGSBSM-UHFFFAOYSA-N 1 0 310.354 1.544 20 5 DDBDRO COC(=O)c1ccnc(N[C@@H]2C[C@@H]([NH+](C)C)C2(C)C)c1[N+](=O)[O-] ZINC000603408459 359622586 /nfs/dbraw/zinc/62/25/86/359622586.db2.gz XRYZGOMXWWKEEP-GHMZBOCLSA-N 1 0 322.365 1.917 20 5 DDBDRO CNS(=O)(=O)CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000187186070 200073903 /nfs/dbraw/zinc/07/39/03/200073903.db2.gz KZAVDZXGOFMGMA-JTQLQIEISA-N 1 0 301.368 1.103 20 5 DDBDRO C[C@H]1C[C@H](N(C)C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000187123647 200064681 /nfs/dbraw/zinc/06/46/81/200064681.db2.gz VWIIABPBVOHXGG-GXSJLCMTSA-N 1 0 308.338 1.250 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000603703540 359675032 /nfs/dbraw/zinc/67/50/32/359675032.db2.gz OEKROGZNCYVDAK-UHFFFAOYSA-N 1 0 320.393 1.881 20 5 DDBDRO CC[C@]1(CO)CCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000187580111 200130533 /nfs/dbraw/zinc/13/05/33/200130533.db2.gz NDYDAEHMQLQPRU-HNNXBMFYSA-N 1 0 309.366 1.241 20 5 DDBDRO Cc1c(C(=O)N2CCC([NH3+])CC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000237735771 202341808 /nfs/dbraw/zinc/34/18/08/202341808.db2.gz HZBAIZRDCOMUJF-UHFFFAOYSA-N 1 0 322.321 1.683 20 5 DDBDRO CCN(CCC[NH+](C)C)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000188952924 200326832 /nfs/dbraw/zinc/32/68/32/200326832.db2.gz IGDJEWWSXMXGAG-UHFFFAOYSA-N 1 0 319.365 1.885 20 5 DDBDRO CN(CCCC[NH+](C)C)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000610519164 360459495 /nfs/dbraw/zinc/45/94/95/360459495.db2.gz YBUHPWMWLOLLCC-UHFFFAOYSA-N 1 0 315.395 1.557 20 5 DDBDRO CC(C)[NH+]1CCN([C@@H]2CCN(c3cccnc3[N+](=O)[O-])C2)CC1 ZINC000610726091 360518269 /nfs/dbraw/zinc/51/82/69/360518269.db2.gz PPNANKGEHGEGOW-CQSZACIVSA-N 1 0 319.409 1.595 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)N(C)CCCC[NH+](C)C)c1[N+](=O)[O-] ZINC000610923230 360572769 /nfs/dbraw/zinc/57/27/69/360572769.db2.gz PSXMJCRRRRNDKH-UHFFFAOYSA-N 1 0 311.386 1.855 20 5 DDBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CCCN(C)C1 ZINC000610804185 360541562 /nfs/dbraw/zinc/54/15/62/360541562.db2.gz MTEFRYQVWIXQFV-TZMCWYRMSA-N 1 0 320.393 1.996 20 5 DDBDRO CC[N@@H+]1CCN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])C[C@@H]1C ZINC000611084806 360617672 /nfs/dbraw/zinc/61/76/72/360617672.db2.gz VLSWOQBVNRSCQN-JTQLQIEISA-N 1 0 317.349 1.774 20 5 DDBDRO CC[N@@H+]1CCN(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@H]1C ZINC000611091738 360619490 /nfs/dbraw/zinc/61/94/90/360619490.db2.gz FMXSVGPNSDCTHW-CYBMUJFWSA-N 1 0 320.393 1.868 20 5 DDBDRO COC[C@@H]1CCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000612086274 360913727 /nfs/dbraw/zinc/91/37/27/360913727.db2.gz LVWZMVSICSKQBS-QWHCGFSZSA-N 1 0 310.350 1.445 20 5 DDBDRO CC[NH+]1CCN(CCNc2nc(C)cc(C)c2[N+](=O)[O-])CC1 ZINC000359080741 299322467 /nfs/dbraw/zinc/32/24/67/299322467.db2.gz HOYKHDGNHWSWQI-UHFFFAOYSA-N 1 0 307.398 1.656 20 5 DDBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000261767349 203113306 /nfs/dbraw/zinc/11/33/06/203113306.db2.gz FOEJWWHWVMHRBO-CABCVRRESA-N 1 0 321.377 1.838 20 5 DDBDRO C[NH2+][C@H](C)CNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000261825269 203125589 /nfs/dbraw/zinc/12/55/89/203125589.db2.gz UUHDSSCXYTYHPX-SSDOTTSWSA-N 1 0 316.155 1.695 20 5 DDBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])cnc1N)[N@@H+]1CCCC[C@@H]1C ZINC000350014791 284132283 /nfs/dbraw/zinc/13/22/83/284132283.db2.gz QMUXUGYLPUOYTD-WDEREUQCSA-N 1 0 321.381 1.565 20 5 DDBDRO O=[N+]([O-])c1ccc(-c2noc(CN3C[C@@H]4C[NH2+]C[C@H]4C3)n2)cc1 ZINC000359296339 299401229 /nfs/dbraw/zinc/40/12/29/299401229.db2.gz CNRJHUWMNNAXET-RYUDHWBXSA-N 1 0 315.333 1.296 20 5 DDBDRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])C1 ZINC000262563113 203332341 /nfs/dbraw/zinc/33/23/41/203332341.db2.gz AQTLLDULLZMUIF-CHWSQXEVSA-N 1 0 320.393 1.617 20 5 DDBDRO C[NH+](C)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000264626943 204037774 /nfs/dbraw/zinc/03/77/74/204037774.db2.gz PZDHGNWXZVODAI-LBPRGKRZSA-N 1 0 313.379 1.310 20 5 DDBDRO CN(CCCN1CC[NH+](C)CC1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000264627486 204039644 /nfs/dbraw/zinc/03/96/44/204039644.db2.gz MZOPQNCQWJIOIX-UHFFFAOYSA-N 1 0 320.393 1.304 20 5 DDBDRO COc1cc(N[C@@H](C)CN2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000266386549 205308118 /nfs/dbraw/zinc/30/81/18/205308118.db2.gz NOEDMUGMIJBHEI-LBPRGKRZSA-N 1 0 308.382 1.651 20 5 DDBDRO C[NH+](C)[C@]1(CNC(=O)Cc2ccc([N+](=O)[O-])cc2)CCSC1 ZINC000267200087 205887338 /nfs/dbraw/zinc/88/73/38/205887338.db2.gz DUQXDFMPOOYORP-HNNXBMFYSA-N 1 0 323.418 1.691 20 5 DDBDRO CCCC[N@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000023696731 182366705 /nfs/dbraw/zinc/36/67/05/182366705.db2.gz RQMIVHYXIWMUQF-UHFFFAOYSA-N 1 0 309.322 1.994 20 5 DDBDRO COc1cc(C(=O)NC[C@H](C2CC2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000101648642 193831966 /nfs/dbraw/zinc/83/19/66/193831966.db2.gz XIOSJQFKKVTBQL-CYBMUJFWSA-N 1 0 307.350 1.673 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H](O)C1 ZINC000041886291 183223600 /nfs/dbraw/zinc/22/36/00/183223600.db2.gz ASFZPMFNPXFVGB-LBPRGKRZSA-N 1 0 323.349 1.389 20 5 DDBDRO O=[N+]([O-])c1cnccc1NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000337145335 249364689 /nfs/dbraw/zinc/36/46/89/249364689.db2.gz PGGWYVGPGQRTGT-HOCLYGCPSA-N 1 0 320.393 1.592 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000337147831 249365576 /nfs/dbraw/zinc/36/55/76/249365576.db2.gz QCWRUTRXEVYQSS-STQMWFEESA-N 1 0 323.397 1.508 20 5 DDBDRO C[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1cn[nH]c1 ZINC000274026253 211285371 /nfs/dbraw/zinc/28/53/71/211285371.db2.gz MDIZADTWPPZCIL-JTQLQIEISA-N 1 0 303.322 1.997 20 5 DDBDRO COc1cccc(C(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)c1[N+](=O)[O-] ZINC000579581922 422795050 /nfs/dbraw/zinc/79/50/50/422795050.db2.gz ZHDLZUBZRDBMPC-INIZCTEOSA-N 1 0 319.361 1.819 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCC2(CCOCC2)CC1 ZINC000284800723 218184008 /nfs/dbraw/zinc/18/40/08/218184008.db2.gz PJODPSNOOXJKDW-UHFFFAOYSA-N 1 0 321.377 1.649 20 5 DDBDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000285233053 218343630 /nfs/dbraw/zinc/34/36/30/218343630.db2.gz YAILYDZEXMKISQ-PHIMTYICSA-N 1 0 323.397 1.804 20 5 DDBDRO COC(=O)c1cc(C(=O)NC[C@H]2CC[N@H+](C)C2)cc([N+](=O)[O-])c1 ZINC000109848043 194293070 /nfs/dbraw/zinc/29/30/70/194293070.db2.gz ZKIMBADPOBIUTL-SNVBAGLBSA-N 1 0 321.333 1.063 20 5 DDBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000110995338 194379328 /nfs/dbraw/zinc/37/93/28/194379328.db2.gz FHJWWIJKSJLKNI-LLVKDONJSA-N 1 0 324.356 1.920 20 5 DDBDRO CCc1nn(C)c(N2C[C@@H](SC)[C@@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000340753734 251194652 /nfs/dbraw/zinc/19/46/52/251194652.db2.gz MNYDTHMSHUQLOI-WDEREUQCSA-N 1 0 313.427 1.373 20 5 DDBDRO O=C(CNc1ccccc1[N+](=O)[O-])N1CCC[N@@H+](C2CC2)CC1 ZINC000061604059 184177619 /nfs/dbraw/zinc/17/76/19/184177619.db2.gz NHPAYWUIWLCENB-UHFFFAOYSA-N 1 0 318.377 1.703 20 5 DDBDRO CC[C@@H]1C[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@@H]1O ZINC000341042248 251350038 /nfs/dbraw/zinc/35/00/38/251350038.db2.gz HEUQOASJMYLDNJ-DFBGVHRSSA-N 1 0 319.361 1.403 20 5 DDBDRO C[C@@H](C[C@H]1COCCN1)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000567648396 304232091 /nfs/dbraw/zinc/23/20/91/304232091.db2.gz LEOQPGVDCADQEK-STQMWFEESA-N 1 0 309.366 1.330 20 5 DDBDRO C[NH2+]C[C@@H]1CCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000063168009 184275709 /nfs/dbraw/zinc/27/57/09/184275709.db2.gz SDLCDPPHLBMZMD-LBPRGKRZSA-N 1 0 313.379 1.357 20 5 DDBDRO C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N(C)C)[C@H]1CCC[NH2+]C1 ZINC000269219120 207338428 /nfs/dbraw/zinc/33/84/28/207338428.db2.gz RWEYZWJCIJHOKX-RYUDHWBXSA-N 1 0 320.393 1.779 20 5 DDBDRO COc1cc(C[N@@H+]2CCC[C@@H](CC(N)=O)C2)ccc1[N+](=O)[O-] ZINC000352541499 285127841 /nfs/dbraw/zinc/12/78/41/285127841.db2.gz YNGFMXZCKXMYHB-NSHDSACASA-N 1 0 307.350 1.691 20 5 DDBDRO COc1ccc(NC(=O)CSCC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000120245085 195126543 /nfs/dbraw/zinc/12/65/43/195126543.db2.gz ZIMOMVHDJWCMGM-UHFFFAOYSA-N 1 0 313.379 1.837 20 5 DDBDRO O=[N+]([O-])c1cccnc1N1CC[NH+](CC[C@@H]2CCOC2)CC1 ZINC000453581889 285165951 /nfs/dbraw/zinc/16/59/51/285165951.db2.gz VLAKUHVCZFAKKR-CYBMUJFWSA-N 1 0 306.366 1.538 20 5 DDBDRO COc1cc(OCC(=O)NC[C@@H]([NH3+])C(C)C)ccc1[N+](=O)[O-] ZINC000157107729 197162749 /nfs/dbraw/zinc/16/27/49/197162749.db2.gz INRIZRYPIJCLTN-LLVKDONJSA-N 1 0 311.338 1.082 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@]1(C)CCO[C@H]1C ZINC000494237775 533137934 /nfs/dbraw/zinc/13/79/34/533137934.db2.gz MZHXHRJWLUZGTJ-BONVTDFDSA-N 1 0 323.349 1.699 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1CCC[C@H]1OC ZINC000451630049 533138075 /nfs/dbraw/zinc/13/80/75/533138075.db2.gz IYUOUVRXHNQSLJ-DGCLKSJQSA-N 1 0 323.349 1.699 20 5 DDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)[C@@H]1CCC[C@@H]1O ZINC000352659458 285204283 /nfs/dbraw/zinc/20/42/83/285204283.db2.gz JQPMKXHCGYSHGD-HONMWMINSA-N 1 0 307.350 1.767 20 5 DDBDRO COc1ccc(NC(=O)C[N@H+](C)[C@H]2CCC[C@H]2O)c([N+](=O)[O-])c1 ZINC000352662260 285206278 /nfs/dbraw/zinc/20/62/78/285206278.db2.gz XZCYHPJLRHQGIV-GXTWGEPZSA-N 1 0 323.349 1.387 20 5 DDBDRO C[N@@H+]1CCC[C@H]1CNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000120633452 195205895 /nfs/dbraw/zinc/20/58/95/195205895.db2.gz YJRHJSDDHGTPRD-AWEZNQCLSA-N 1 0 306.366 1.531 20 5 DDBDRO C[C@@H](O)C[C@H]1CCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000152879652 196832012 /nfs/dbraw/zinc/83/20/12/196832012.db2.gz PTXFMOQIANTXKX-NFAWXSAZSA-N 1 0 324.377 1.570 20 5 DDBDRO COc1cc(CN(C)CCNC(=O)C(C)C)ccc1[N+](=O)[O-] ZINC000352780485 285296376 /nfs/dbraw/zinc/29/63/76/285296376.db2.gz UTXDABJFBDAHIK-UHFFFAOYSA-N 1 0 309.366 1.807 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[N@H+](CCO)C[C@H]1C ZINC000452112974 533219050 /nfs/dbraw/zinc/21/90/50/533219050.db2.gz HSMUYODBAGPXBE-GFCCVEGCSA-N 1 0 309.366 1.102 20 5 DDBDRO C[C@@H]1C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCC1(F)F ZINC000289783081 221222469 /nfs/dbraw/zinc/22/24/69/221222469.db2.gz LVOHORSOVGMZFO-KOLCDFICSA-N 1 0 304.297 1.129 20 5 DDBDRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000295177171 224502645 /nfs/dbraw/zinc/50/26/45/224502645.db2.gz GZWXKYPKPUVPKJ-IWIIMEHWSA-N 1 0 303.343 1.757 20 5 DDBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N1CCC[C@]12CC[NH2+]C2 ZINC001120495006 781983432 /nfs/dbraw/zinc/98/34/32/781983432.db2.gz DWSSGGTXJDNJNZ-OAHLLOKOSA-N 1 0 304.350 1.632 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+]C(C)(C)C(C)(C)O ZINC000271621622 209066552 /nfs/dbraw/zinc/06/65/52/209066552.db2.gz MGYGGXOVOYYHFH-UHFFFAOYSA-N 1 0 309.366 1.981 20 5 DDBDRO C[C@H](NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)c1ccccc1[N+](=O)[O-] ZINC000417980357 533604151 /nfs/dbraw/zinc/60/41/51/533604151.db2.gz KEXTYKVPIXQNMF-WDMOLILDSA-N 1 0 304.350 1.659 20 5 DDBDRO COc1ccc(CNC(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000417177977 533629414 /nfs/dbraw/zinc/62/94/14/533629414.db2.gz DFGOMBXRELFVBI-ZYHUDNBSSA-N 1 0 322.365 1.530 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@H](C)CCC[NH3+])c1C ZINC000336849066 291994602 /nfs/dbraw/zinc/99/46/02/291994602.db2.gz PGPNSKQMNSJUMO-SNVBAGLBSA-N 1 0 315.395 1.617 20 5 DDBDRO O=C(NCc1cccc([N+](=O)[O-])c1)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000568744956 304309033 /nfs/dbraw/zinc/30/90/33/304309033.db2.gz KVXJYQWTZPCOQL-LLVKDONJSA-N 1 0 315.333 1.325 20 5 DDBDRO COc1cc(C(=O)N2CC[C@](C)(C[NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000261964693 286198129 /nfs/dbraw/zinc/19/81/29/286198129.db2.gz YETKGTVNXDFFAA-OAHLLOKOSA-N 1 0 323.349 1.423 20 5 DDBDRO C[NH2+]C[C@@H]1CCCN(C(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000569793621 304379572 /nfs/dbraw/zinc/37/95/72/304379572.db2.gz XKGWYIDLFGMGLI-ZDUSSCGKSA-N 1 0 306.366 1.736 20 5 DDBDRO COC1CCC([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000570155934 304398784 /nfs/dbraw/zinc/39/87/84/304398784.db2.gz XNBDQQRCFXBKFX-BLZCZZARSA-N 1 0 324.377 1.882 20 5 DDBDRO CNc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-] ZINC000570568858 304415669 /nfs/dbraw/zinc/41/56/69/304415669.db2.gz QUZPXQZWIWYEOV-NEPJUHHUSA-N 1 0 304.350 1.603 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@H](C[NH3+])C1 ZINC000044529087 407025528 /nfs/dbraw/zinc/02/55/28/407025528.db2.gz ZGWPSIZECFSMJW-LLVKDONJSA-N 1 0 313.379 1.263 20 5 DDBDRO C[NH+](C)C[C@@H]1CCCCN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000078454938 407029134 /nfs/dbraw/zinc/02/91/34/407029134.db2.gz DUNDOKHTYCIGSM-ZDUSSCGKSA-N 1 0 320.393 1.949 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000086469036 407112824 /nfs/dbraw/zinc/11/28/24/407112824.db2.gz WRHSUPYBXNDARS-QWRGUYRKSA-N 1 0 313.379 1.274 20 5 DDBDRO C[NH+](C)[C@@H](CNC(=O)Cn1cc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000046948810 407067670 /nfs/dbraw/zinc/06/76/70/407067670.db2.gz RIBQOMSSFVJVCF-AWEZNQCLSA-N 1 0 323.397 1.418 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCN(C[C@@H]3CCC[NH2+]C3)CC2)cn1 ZINC000057871730 407218473 /nfs/dbraw/zinc/21/84/73/407218473.db2.gz CTLGMSYOSCDVDL-CYBMUJFWSA-N 1 0 305.382 1.111 20 5 DDBDRO CN(CC[NH+]1CCCC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000103162524 407333333 /nfs/dbraw/zinc/33/33/33/407333333.db2.gz ORVATBGJBDSNDL-UHFFFAOYSA-N 1 0 313.379 1.311 20 5 DDBDRO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261608968 407551510 /nfs/dbraw/zinc/55/15/10/407551510.db2.gz DNFMAYATXSKMDA-GXSJLCMTSA-N 1 0 309.753 1.930 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H]([NH3+])[C@@H]2C)cc1C ZINC000261704139 407587722 /nfs/dbraw/zinc/58/77/22/407587722.db2.gz ONVZIQJPPZBKGR-QWRGUYRKSA-N 1 0 313.379 1.322 20 5 DDBDRO COC(=O)[C@H](C)C[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000114063111 407535051 /nfs/dbraw/zinc/53/50/51/407535051.db2.gz RIUHJVSKSCFNIJ-LLVKDONJSA-N 1 0 323.349 1.664 20 5 DDBDRO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000178681793 407546680 /nfs/dbraw/zinc/54/66/80/407546680.db2.gz MSNIGJCLHUWQKQ-VHSXEESVSA-N 1 0 308.338 1.398 20 5 DDBDRO Cc1ccc(S(=O)(=O)N2C[C@@H](C[NH3+])C[C@H]2C)cc1[N+](=O)[O-] ZINC000228073916 407641987 /nfs/dbraw/zinc/64/19/87/407641987.db2.gz CKBKPEJLWPJUFJ-GHMZBOCLSA-N 1 0 313.379 1.261 20 5 DDBDRO C[NH2+]CCC1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000261730498 407595858 /nfs/dbraw/zinc/59/58/58/407595858.db2.gz MRFCZZKUQAYTJQ-UHFFFAOYSA-N 1 0 320.393 1.855 20 5 DDBDRO CCOc1ccc(NC(=O)CN2CC[NH2+]C[C@H]2C)c([N+](=O)[O-])c1 ZINC000261911306 407665965 /nfs/dbraw/zinc/66/59/65/407665965.db2.gz YIAKPVVEVDCHCF-LLVKDONJSA-N 1 0 322.365 1.226 20 5 DDBDRO C[NH2+]C[C@@H]1CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000178981207 407678520 /nfs/dbraw/zinc/67/85/20/407678520.db2.gz ZQWXJSDNYJJIET-NSHDSACASA-N 1 0 318.377 1.851 20 5 DDBDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000115439653 407680040 /nfs/dbraw/zinc/68/00/40/407680040.db2.gz SATXPXGZKKXFRT-CYBMUJFWSA-N 1 0 320.393 1.807 20 5 DDBDRO C[C@@H]1CN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]1[NH3+] ZINC000262063151 407729538 /nfs/dbraw/zinc/72/95/38/407729538.db2.gz RIQCTNOLEXOGDG-IAQYHMDHSA-N 1 0 315.377 1.774 20 5 DDBDRO Cn1cc([N+](=O)[O-])c(C(=O)NC2CC[NH+](C3CCCC3)CC2)n1 ZINC000271452874 407691948 /nfs/dbraw/zinc/69/19/48/407691948.db2.gz VVXDTXZCRBMHJC-UHFFFAOYSA-N 1 0 321.381 1.465 20 5 DDBDRO CC[C@H]([NH2+]CCS(=O)(=O)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000230994676 407696071 /nfs/dbraw/zinc/69/60/71/407696071.db2.gz NNVBHKLRUPATAQ-ZDUSSCGKSA-N 1 0 315.395 1.527 20 5 DDBDRO C[NH2+][C@@H](C(=O)N(C)Cc1ccccc1[N+](=O)[O-])c1cnn(C)c1 ZINC000261994574 407704512 /nfs/dbraw/zinc/70/45/12/407704512.db2.gz AFNTZOORJAVYNN-CQSZACIVSA-N 1 0 317.349 1.247 20 5 DDBDRO COCCCOCC[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000271543558 407721199 /nfs/dbraw/zinc/72/11/99/407721199.db2.gz KHMMFOYDNPLJOC-UHFFFAOYSA-N 1 0 312.366 1.959 20 5 DDBDRO CCO[C@@H]1C[C@]([NH3+])(C(=O)NCc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000186716050 407752227 /nfs/dbraw/zinc/75/22/27/407752227.db2.gz DZXUCNXCRYHZGE-CJNGLKHVSA-N 1 0 321.377 1.744 20 5 DDBDRO CCc1n[nH]c(C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000171665881 407736509 /nfs/dbraw/zinc/73/65/09/407736509.db2.gz IWGMZDQSEQZIGT-NSHDSACASA-N 1 0 323.397 1.731 20 5 DDBDRO C[C@H](O)C[C@H]1CCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000153191854 407773603 /nfs/dbraw/zinc/77/36/03/407773603.db2.gz WWPGNGLGERCYGL-GXFFZTMASA-N 1 0 307.350 1.429 20 5 DDBDRO C[NH+]1CCC(CNC(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000132210023 407775007 /nfs/dbraw/zinc/77/50/07/407775007.db2.gz ZSTUXVXECCSJQU-UHFFFAOYSA-N 1 0 305.378 1.985 20 5 DDBDRO Cc1nn(CCC(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])c(C)c1[N+](=O)[O-] ZINC000237496401 407821280 /nfs/dbraw/zinc/82/12/80/407821280.db2.gz LABLUZMZRUNRNN-ZWNOBZJWSA-N 1 0 323.397 1.384 20 5 DDBDRO COC[C@@]1(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)CCC[NH2+]1 ZINC000262442123 407837159 /nfs/dbraw/zinc/83/71/59/407837159.db2.gz GWEGOMILDODJFL-AWEZNQCLSA-N 1 0 311.313 1.232 20 5 DDBDRO COC[C@@]1(CNC(=O)c2cccc(C)c2[N+](=O)[O-])CCC[NH2+]1 ZINC000262506848 407854494 /nfs/dbraw/zinc/85/44/94/407854494.db2.gz MNBUQLPBJFNQSL-HNNXBMFYSA-N 1 0 307.350 1.402 20 5 DDBDRO CC[C@@]1(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)CCC[NH2+]1 ZINC000134384672 407898862 /nfs/dbraw/zinc/89/88/62/407898862.db2.gz YFTMFSRMLBZMMI-HNNXBMFYSA-N 1 0 306.366 1.655 20 5 DDBDRO O=C(CN1CC[C@@H]2[NH2+]CC[C@@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000262480768 407846561 /nfs/dbraw/zinc/84/65/61/407846561.db2.gz JXSWEWJANCDZDF-NEPJUHHUSA-N 1 0 304.350 1.217 20 5 DDBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000268158908 407920239 /nfs/dbraw/zinc/92/02/39/407920239.db2.gz HNJFNEJZLORCAO-QPUJVOFHSA-N 1 0 322.340 1.529 20 5 DDBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)Cc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000272441352 407922622 /nfs/dbraw/zinc/92/26/22/407922622.db2.gz INGPOMKBVCEFHH-WFASDCNBSA-N 1 0 303.362 1.690 20 5 DDBDRO C[C@@H]1CN(C(=O)CSc2ccc([N+](=O)[O-])cc2)C[C@H](C)[NH2+]1 ZINC000153877566 407924499 /nfs/dbraw/zinc/92/44/99/407924499.db2.gz OAULAVTVVLSANB-PHIMTYICSA-N 1 0 309.391 1.896 20 5 DDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CC[NH2+]C2)cc1OC ZINC000273025222 408025084 /nfs/dbraw/zinc/02/50/84/408025084.db2.gz LQIPWBBETZLBQW-SNVBAGLBSA-N 1 0 323.349 1.341 20 5 DDBDRO COc1cc(OCC(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000262961746 407986590 /nfs/dbraw/zinc/98/65/90/407986590.db2.gz WPTUBFOGZVLCAQ-WDEREUQCSA-N 1 0 323.349 1.239 20 5 DDBDRO COc1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1[N+](=O)[O-] ZINC000245460791 407991174 /nfs/dbraw/zinc/99/11/74/407991174.db2.gz WALCYYJUIWRPAJ-OLZOCXBDSA-N 1 0 319.361 1.912 20 5 DDBDRO CC1(C)CN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC[NH2+]1 ZINC000182283021 408115164 /nfs/dbraw/zinc/11/51/64/408115164.db2.gz BWWCPKRJNXEMCH-UHFFFAOYSA-N 1 0 307.306 1.148 20 5 DDBDRO CNC(=O)[C@@H](C)C[N@H+](C)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000246250968 408191877 /nfs/dbraw/zinc/19/18/77/408191877.db2.gz SXDVPVAYEIDZFY-WDEREUQCSA-N 1 0 322.365 1.236 20 5 DDBDRO CC(C)N(CC[NH+](C)C)C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000182617839 408204028 /nfs/dbraw/zinc/20/40/28/408204028.db2.gz VWJDFLWVJVYRQS-UHFFFAOYSA-N 1 0 323.349 1.736 20 5 DDBDRO COC(=O)[C@@H](C)C[N@H+](C)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000246306164 408213294 /nfs/dbraw/zinc/21/32/94/408213294.db2.gz FRXWNAIAJNWQQY-WDEREUQCSA-N 1 0 323.349 1.663 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000183238210 408363824 /nfs/dbraw/zinc/36/38/24/408363824.db2.gz TWBHAWLDPQBJMB-UHFFFAOYSA-N 1 0 319.321 1.076 20 5 DDBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000247311831 408448702 /nfs/dbraw/zinc/44/87/02/408448702.db2.gz HMGIBVXCJZTOJJ-SWLSCSKDSA-N 1 0 321.377 1.772 20 5 DDBDRO COC(=O)[C@H](C)C[N@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000247051104 408396622 /nfs/dbraw/zinc/39/66/22/408396622.db2.gz SOLKBCFSRANGBQ-GHMZBOCLSA-N 1 0 323.349 1.663 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@]1(O)CCSC1 ZINC000176751533 408431107 /nfs/dbraw/zinc/43/11/07/408431107.db2.gz SMTHIPXRWCELQB-AWEZNQCLSA-N 1 0 312.391 1.951 20 5 DDBDRO CCOc1ccc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-] ZINC000160543007 408495129 /nfs/dbraw/zinc/49/51/29/408495129.db2.gz YHUMCBFNWZSGKH-BETUJISGSA-N 1 0 319.361 1.960 20 5 DDBDRO COCC[N@@H+]1CC[C@@H](NC(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000264472599 408503999 /nfs/dbraw/zinc/50/39/99/408503999.db2.gz GPGXIZHKFAEZRL-LLVKDONJSA-N 1 0 311.313 1.184 20 5 DDBDRO C[NH+](C)[C@H]1CCCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000264624237 408543445 /nfs/dbraw/zinc/54/34/45/408543445.db2.gz OSGIAMUTRYQBBQ-NSHDSACASA-N 1 0 313.379 1.310 20 5 DDBDRO C[N@@H+]1CCCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000265361147 408625643 /nfs/dbraw/zinc/62/56/43/408625643.db2.gz XMRHHQKHEKQMGX-UHFFFAOYSA-N 1 0 302.334 1.854 20 5 DDBDRO Cc1nn(C)c(C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000177562272 408657074 /nfs/dbraw/zinc/65/70/74/408657074.db2.gz VCXHOQUJMXJPHR-MNOVXSKESA-N 1 0 309.370 1.239 20 5 DDBDRO [NH3+]CCCC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000161978060 408658650 /nfs/dbraw/zinc/65/86/50/408658650.db2.gz ALRUMSQCTIKYGL-UHFFFAOYSA-N 1 0 307.350 1.704 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NCCC[NH+]1CCC(O)CC1 ZINC000265643336 408726119 /nfs/dbraw/zinc/72/61/19/408726119.db2.gz WSDVHVHMBWWJLW-UHFFFAOYSA-N 1 0 321.377 1.480 20 5 DDBDRO C[C@H](O)C[N@@H+]1CCN(CCc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000249512744 408734929 /nfs/dbraw/zinc/73/49/29/408734929.db2.gz OQOOYPUHRYIPNQ-KBPBESRZSA-N 1 0 307.394 1.524 20 5 DDBDRO COc1cccc(NC[C@H](C)N2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000185338386 408798035 /nfs/dbraw/zinc/79/80/35/408798035.db2.gz IVYOLURAXPWVNZ-LBPRGKRZSA-N 1 0 308.382 1.651 20 5 DDBDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000195085934 408810787 /nfs/dbraw/zinc/81/07/87/408810787.db2.gz JGXDKWKLDDBWBZ-LLVKDONJSA-N 1 0 324.381 1.936 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](O)[C@@H](C)C1 ZINC000249598809 408748830 /nfs/dbraw/zinc/74/88/30/408748830.db2.gz XQEUANFUPUBRKP-WFASDCNBSA-N 1 0 321.377 1.935 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000185067628 408749190 /nfs/dbraw/zinc/74/91/90/408749190.db2.gz DODRPVZYDNLFRH-ZWKOPEQDSA-N 1 0 305.334 1.413 20 5 DDBDRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)/C=C/c3ccccc3[N+](=O)[O-])C[C@@H]12 ZINC000185123630 408760820 /nfs/dbraw/zinc/76/08/20/408760820.db2.gz CQCCNRVJSGRSDT-UYHBUEEYSA-N 1 0 301.346 1.804 20 5 DDBDRO C[NH+](C)CCNC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000281257845 408876772 /nfs/dbraw/zinc/87/67/72/408876772.db2.gz VCNXJKSEMYHKPQ-UHFFFAOYSA-N 1 0 314.345 1.948 20 5 DDBDRO C[N@H+](C[C@H](O)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1)C1CC1 ZINC000290783053 408832365 /nfs/dbraw/zinc/83/23/65/408832365.db2.gz NFMVQQZZZXPUAD-AWEZNQCLSA-N 1 0 317.349 1.308 20 5 DDBDRO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000285749067 408855951 /nfs/dbraw/zinc/85/59/51/408855951.db2.gz RNBBDOFTZDGNMP-NSHDSACASA-N 1 0 307.354 1.266 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)CN2CCC(F)(F)[C@@H](CO)C2)c1 ZINC000291749679 408916926 /nfs/dbraw/zinc/91/69/26/408916926.db2.gz KLEZNGPASRVKMM-YPMHNXCESA-N 1 0 316.304 1.578 20 5 DDBDRO C[NH+](C)[C@@H]1CCCN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000277367462 408927677 /nfs/dbraw/zinc/92/76/77/408927677.db2.gz VIMONDBJRSGFOH-CYBMUJFWSA-N 1 0 321.377 1.916 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000286103533 408924115 /nfs/dbraw/zinc/92/41/15/408924115.db2.gz IMKWPJREWIEHLL-IAQYHMDHSA-N 1 0 307.350 1.276 20 5 DDBDRO CNC(=O)[C@H](C)[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000291857763 408934811 /nfs/dbraw/zinc/93/48/11/408934811.db2.gz HHEQQYQJRIVLFF-ZJUUUORDSA-N 1 0 308.338 1.036 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2CC[N@@H+]3CCCC[C@H]23)n1 ZINC000286253080 408949597 /nfs/dbraw/zinc/94/95/97/408949597.db2.gz IVIYAXOHVIJSHQ-ZYHUDNBSSA-N 1 0 320.349 1.815 20 5 DDBDRO O=[N+]([O-])c1ccc(CS(=O)(=O)N[C@@H]2CCC[NH2+]CC2)cc1 ZINC000226461902 163336878 /nfs/dbraw/zinc/33/68/78/163336878.db2.gz PYXAFCOKEPEBNC-GFCCVEGCSA-N 1 0 313.379 1.156 20 5 DDBDRO C[NH+]1CCN(CCNc2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000286310633 408962357 /nfs/dbraw/zinc/96/23/57/408962357.db2.gz ZDTZSIXXZSCJIW-UHFFFAOYSA-N 1 0 322.394 1.259 20 5 DDBDRO CCN(CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H](C)CO ZINC000292267149 409013569 /nfs/dbraw/zinc/01/35/69/409013569.db2.gz RTZUSHXLKLXLBE-LLVKDONJSA-N 1 0 316.379 1.071 20 5 DDBDRO C[N@@H+]1CC[C@@]2(CCN(c3ccc(C(N)=O)cc3[N+](=O)[O-])C2)C1 ZINC000292345722 409026711 /nfs/dbraw/zinc/02/67/11/409026711.db2.gz QJGFJSZJQQEMQF-OAHLLOKOSA-N 1 0 304.350 1.226 20 5 DDBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NCC[N@H+](C)C1CC1 ZINC000282844192 409066281 /nfs/dbraw/zinc/06/62/81/409066281.db2.gz UBHWOFOJQCHJKZ-UHFFFAOYSA-N 1 0 320.393 1.873 20 5 DDBDRO O=[N+]([O-])c1cc(CN2CCC[C@@H](O)CC2)c2c(c1)COCO2 ZINC000293299462 409084673 /nfs/dbraw/zinc/08/46/73/409084673.db2.gz WJYKNVDDDKLOFS-CQSZACIVSA-N 1 0 308.334 1.808 20 5 DDBDRO O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000293378788 409101337 /nfs/dbraw/zinc/10/13/37/409101337.db2.gz LGTUZSAFMLGLKF-NOZJJQNGSA-N 1 0 320.305 1.327 20 5 DDBDRO COc1ccc(C[N@@H+]2CC[C@@]3(CNC(=O)C3)C2)cc1[N+](=O)[O-] ZINC000278936452 409116943 /nfs/dbraw/zinc/11/69/43/409116943.db2.gz UCIHUUGKAPODCF-OAHLLOKOSA-N 1 0 305.334 1.315 20 5 DDBDRO C[N@@H+]1CC[C@]2(CCN(C(=O)c3cc([N+](=O)[O-])c(F)cc3N)C2)C1 ZINC000293654770 409154456 /nfs/dbraw/zinc/15/44/56/409154456.db2.gz HGFICTNQUPDVLU-HNNXBMFYSA-N 1 0 322.340 1.484 20 5 DDBDRO C[C@H](CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)C[NH+](C)C ZINC000293770609 409177240 /nfs/dbraw/zinc/17/72/40/409177240.db2.gz NNTHGVOMGWMNOP-SECBINFHSA-N 1 0 309.322 1.251 20 5 DDBDRO C[C@H]([NH2+]CCCN1CCCC1=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284193349 409294064 /nfs/dbraw/zinc/29/40/64/409294064.db2.gz RRDVYAOFUNZIRI-NSHDSACASA-N 1 0 306.366 1.840 20 5 DDBDRO C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC[N@@H+](C2CC2)C1 ZINC000295065026 409312256 /nfs/dbraw/zinc/31/22/56/409312256.db2.gz ZMCNUDVDDFHBEJ-JTQLQIEISA-N 1 0 319.365 1.009 20 5 DDBDRO CCS(=O)(=O)CC[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284301455 409314435 /nfs/dbraw/zinc/31/44/35/409314435.db2.gz YSEUYLYKAPJZBJ-VIFPVBQESA-N 1 0 301.368 1.262 20 5 DDBDRO O=C(COc1cccc([N+](=O)[O-])c1)NCC[N@H+]1CC=CCC1 ZINC000280204454 409269217 /nfs/dbraw/zinc/26/92/17/409269217.db2.gz KDQPZRSWSYTQLI-UHFFFAOYSA-N 1 0 305.334 1.352 20 5 DDBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000290322957 409360491 /nfs/dbraw/zinc/36/04/91/409360491.db2.gz DOGUXVYCIQNGIN-JQWIXIFHSA-N 1 0 320.349 1.394 20 5 DDBDRO CCOc1ccc(C(=O)N[C@H]2CC[NH2+][C@H](C)C2)cc1[N+](=O)[O-] ZINC000262984582 163900151 /nfs/dbraw/zinc/90/01/51/163900151.db2.gz ZDKNLZNUPXIUOP-PWSUYJOCSA-N 1 0 307.350 1.864 20 5 DDBDRO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC[N@@H+](C2CC2)C1 ZINC000295288996 409413275 /nfs/dbraw/zinc/41/32/75/409413275.db2.gz IJICRUBTZSLBKM-JTQLQIEISA-N 1 0 320.349 1.252 20 5 DDBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000280750021 409436341 /nfs/dbraw/zinc/43/63/41/409436341.db2.gz NFEPVVZUZCMBAC-ZUZCIYMTSA-N 1 0 320.349 1.119 20 5 DDBDRO C[C@@H]1CN(C(=O)NCc2ccc([N+](=O)[O-])cc2)C[C@H](C)[N@H+]1C ZINC000296173976 409452932 /nfs/dbraw/zinc/45/29/32/409452932.db2.gz GCZLGSXAQKMBMO-TXEJJXNPSA-N 1 0 306.366 1.829 20 5 DDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000317075299 164025344 /nfs/dbraw/zinc/02/53/44/164025344.db2.gz ZCOPUBFPRKJFTO-GHMZBOCLSA-N 1 0 304.350 1.534 20 5 DDBDRO C[C@H]1[C@H](C)[N@H+](C)CCN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000357033734 164136923 /nfs/dbraw/zinc/13/69/23/164136923.db2.gz IAPOWWFQHOFVHW-RYUDHWBXSA-N 1 0 306.366 1.558 20 5 DDBDRO Cc1ccc(S(=O)(=O)N[C@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000344938419 409566670 /nfs/dbraw/zinc/56/66/70/409566670.db2.gz MDMAPNNCKQWSFO-SNVBAGLBSA-N 1 0 301.368 1.132 20 5 DDBDRO Cn1nc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000356707597 409538585 /nfs/dbraw/zinc/53/85/85/409538585.db2.gz GKHIHZVXTDSGFO-GFCCVEGCSA-N 1 0 321.381 1.132 20 5 DDBDRO C[C@H]([NH2+]C1CC1)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000296466107 409569371 /nfs/dbraw/zinc/56/93/71/409569371.db2.gz PAYAOVOOMHWDTQ-LBPRGKRZSA-N 1 0 318.377 1.384 20 5 DDBDRO Cn1cc(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cn1 ZINC000331550691 409625762 /nfs/dbraw/zinc/62/57/62/409625762.db2.gz GWTFUSHYSFRFNC-QWHCGFSZSA-N 1 0 304.354 1.798 20 5 DDBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000296475515 409577326 /nfs/dbraw/zinc/57/73/26/409577326.db2.gz WIFXFQSFDKCCOG-ZDUSSCGKSA-N 1 0 322.365 1.563 20 5 DDBDRO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000356903497 409704528 /nfs/dbraw/zinc/70/45/28/409704528.db2.gz PRLJFEMSRQTCBL-RYUDHWBXSA-N 1 0 306.366 1.558 20 5 DDBDRO [NH3+][C@@H]1CCc2ncc(NC(=O)c3cc([N+](=O)[O-])c[nH]3)cc2C1 ZINC000349009525 409646036 /nfs/dbraw/zinc/64/60/36/409646036.db2.gz XCVORGJVCXEXRT-SECBINFHSA-N 1 0 301.306 1.386 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NCCNc1cc[nH+]cc1 ZINC000338051056 409678286 /nfs/dbraw/zinc/67/82/86/409678286.db2.gz DTMDHNCRMHWYSY-UHFFFAOYSA-N 1 0 300.318 1.562 20 5 DDBDRO COC[C@H](C)OC[C@H](O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296870129 409679322 /nfs/dbraw/zinc/67/93/22/409679322.db2.gz ZMVNOKNCWLRJBS-SLEUVZQESA-N 1 0 312.366 1.658 20 5 DDBDRO COC(=O)Cc1ccc(N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000296890122 409687884 /nfs/dbraw/zinc/68/78/84/409687884.db2.gz XYBCZWRCQQFDOI-BETUJISGSA-N 1 0 319.361 1.308 20 5 DDBDRO Cc1c(C(=O)NCCNc2cc[nH+]cc2)cccc1[N+](=O)[O-] ZINC000338069219 409692095 /nfs/dbraw/zinc/69/20/95/409692095.db2.gz LRRXFTWXDVZHEK-UHFFFAOYSA-N 1 0 300.318 1.562 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@@H]([NH3+])C1 ZINC000346087013 409770370 /nfs/dbraw/zinc/77/03/70/409770370.db2.gz VDWOOKUSHHUDAG-LLVKDONJSA-N 1 0 322.365 1.355 20 5 DDBDRO C[C@H](C[NH+](C)C)NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000346156638 409828520 /nfs/dbraw/zinc/82/85/20/409828520.db2.gz BHLXKWIXKPRLRF-SNVBAGLBSA-N 1 0 306.366 1.849 20 5 DDBDRO O=C(CCN1CC[C@@H]2C[NH2+]C[C@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000357077259 409844280 /nfs/dbraw/zinc/84/42/80/409844280.db2.gz AKNZDINNJOZDCO-OLZOCXBDSA-N 1 0 318.377 1.465 20 5 DDBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CCN1CCCOCC1 ZINC000349373455 409812481 /nfs/dbraw/zinc/81/24/81/409812481.db2.gz WRHPRICQXAZTSI-ZZXKWVIFSA-N 1 0 305.378 1.920 20 5 DDBDRO Cc1ccc(NC(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)cc1[N+](=O)[O-] ZINC000332229687 409998173 /nfs/dbraw/zinc/99/81/73/409998173.db2.gz NZIDABJYORGGTM-NEPJUHHUSA-N 1 0 304.350 1.976 20 5 DDBDRO CCOc1cc(OC[C@@H](O)C[N@H+](C)C2CC2)ccc1[N+](=O)[O-] ZINC000357452064 410049299 /nfs/dbraw/zinc/04/92/99/410049299.db2.gz KVLSWSWFCBFFIU-LBPRGKRZSA-N 1 0 310.350 1.827 20 5 DDBDRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000342986100 410052460 /nfs/dbraw/zinc/05/24/60/410052460.db2.gz AMDUWSZGLVGNDO-LDYMZIIASA-N 1 0 303.322 1.607 20 5 DDBDRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000346727123 410115239 /nfs/dbraw/zinc/11/52/39/410115239.db2.gz JZNLEFVCPOLXPZ-LBPRGKRZSA-N 1 0 310.354 1.106 20 5 DDBDRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000343110956 410156024 /nfs/dbraw/zinc/15/60/24/410156024.db2.gz YVGJCOIKKMOVCK-IAQYHMDHSA-N 1 0 319.361 1.382 20 5 DDBDRO O=[N+]([O-])c1cccc(N2CCN(C[C@H]3CCC[NH2+]C3)CC2)c1 ZINC000346847628 410192306 /nfs/dbraw/zinc/19/23/06/410192306.db2.gz DKWFSNKVBRAGBC-AWEZNQCLSA-N 1 0 304.394 1.716 20 5 DDBDRO CC[NH+]1CCC(NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000298373006 410199207 /nfs/dbraw/zinc/19/92/07/410199207.db2.gz KRDGPWVOAVLXEF-UHFFFAOYSA-N 1 0 317.349 1.685 20 5 DDBDRO C[C@H]1C[N@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C[C@H]1O ZINC000351774894 410224012 /nfs/dbraw/zinc/22/40/12/410224012.db2.gz PGFPHEDEWSVUPT-GXFFZTMASA-N 1 0 321.333 1.205 20 5 DDBDRO NC(=O)c1cc([N+](=O)[O-])cnc1NCC[NH+]1CCCCCC1 ZINC000298452596 410234132 /nfs/dbraw/zinc/23/41/32/410234132.db2.gz VCZAXWOMMXMAQY-UHFFFAOYSA-N 1 0 307.354 1.377 20 5 DDBDRO CS[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])n2C)C[C@H]1[NH+](C)C ZINC000332718669 410234664 /nfs/dbraw/zinc/23/46/64/410234664.db2.gz QQVVTAWONSKYRB-GHMZBOCLSA-N 1 0 312.395 1.051 20 5 DDBDRO C[C@@H]([NH3+])[C@H]1CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000351863125 410300061 /nfs/dbraw/zinc/30/00/61/410300061.db2.gz RVYTWQJRFSMWHJ-YPMHNXCESA-N 1 0 318.377 1.153 20 5 DDBDRO Cc1nn(C)c(C(=O)N2CCC3(CC[NH2+]CC3)CC2)c1[N+](=O)[O-] ZINC000357873521 410308950 /nfs/dbraw/zinc/30/89/50/410308950.db2.gz JZROPLLOOMYKFB-UHFFFAOYSA-N 1 0 321.381 1.243 20 5 DDBDRO CC1(C)C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H]2CCC[C@@H]21 ZINC000339721818 410417185 /nfs/dbraw/zinc/41/71/85/410417185.db2.gz YPFODDBSGORYJY-IHRRRGAJSA-N 1 0 308.382 1.663 20 5 DDBDRO CC1(C)C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]2CCC[C@H]21 ZINC000339721817 410418008 /nfs/dbraw/zinc/41/80/08/410418008.db2.gz YPFODDBSGORYJY-BFHYXJOUSA-N 1 0 308.382 1.663 20 5 DDBDRO C[C@@H]1[C@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)CCC[N@@H+]1C ZINC000343459816 410470546 /nfs/dbraw/zinc/47/05/46/410470546.db2.gz SHYHHJKYZNGYOU-BXUZGUMPSA-N 1 0 307.350 1.573 20 5 DDBDRO CC(C)[N@H+](C[C@@H](C)O)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000343511139 410501180 /nfs/dbraw/zinc/50/11/80/410501180.db2.gz NCZAJAZJKPNJRE-CHWSQXEVSA-N 1 0 312.366 1.426 20 5 DDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@H]1CCC[N@H+]1C ZINC000299213211 410571051 /nfs/dbraw/zinc/57/10/51/410571051.db2.gz FCXIBGVBDHIYRP-LLVKDONJSA-N 1 0 313.379 1.276 20 5 DDBDRO O=[N+]([O-])c1ccc(-c2noc(CN3C[C@H]4C[NH2+]C[C@H]4C3)n2)cc1 ZINC000359296341 410585772 /nfs/dbraw/zinc/58/57/72/410585772.db2.gz CNRJHUWMNNAXET-TXEJJXNPSA-N 1 0 315.333 1.296 20 5 DDBDRO COC(=O)COc1ccc(C[N@@H+]2CC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000355602900 410603277 /nfs/dbraw/zinc/60/32/77/410603277.db2.gz WHZWUSXATYUURM-NSHDSACASA-N 1 0 308.334 1.988 20 5 DDBDRO Cn1nncc1C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000352599013 410670325 /nfs/dbraw/zinc/67/03/25/410670325.db2.gz XDNONBZCJCEUSE-NEPJUHHUSA-N 1 0 305.342 1.193 20 5 DDBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC([N@H+](C)CCCO)CC1 ZINC000301303054 410696586 /nfs/dbraw/zinc/69/65/86/410696586.db2.gz SETIRRABAOPBOA-UHFFFAOYSA-N 1 0 308.382 1.581 20 5 DDBDRO Cc1nccn1CCC[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000347782988 410718850 /nfs/dbraw/zinc/71/88/50/410718850.db2.gz JLFKTTJSRYPYLD-UHFFFAOYSA-N 1 0 301.350 1.943 20 5 DDBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1C[C@H]2[C@@H](CCS2(=O)=O)C1 ZINC000352988838 410719575 /nfs/dbraw/zinc/71/95/75/410719575.db2.gz PKLCPKDDVYVZOE-OSMZGAPFSA-N 1 0 310.375 1.775 20 5 DDBDRO CC[C@@H](C)[NH2+][C@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)c1ccco1 ZINC000359554372 410727667 /nfs/dbraw/zinc/72/76/67/410727667.db2.gz IXPQKDSZFDGXOF-MWLCHTKSSA-N 1 0 321.337 1.770 20 5 DDBDRO C[N@@H+]1CCO[C@@H]2CN(c3ccc([N+](=O)[O-])c4cccnc43)C[C@H]21 ZINC000301692306 410773622 /nfs/dbraw/zinc/77/36/22/410773622.db2.gz ZDGNQSLMJRHHPY-HUUCEWRRSA-N 1 0 314.345 1.662 20 5 DDBDRO Cc1nn(C)c(NC2CC[NH+]([C@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000301729365 410784608 /nfs/dbraw/zinc/78/46/08/410784608.db2.gz RPNSDPDSOKNYOD-LBPRGKRZSA-N 1 0 309.370 1.302 20 5 DDBDRO C[N@@H+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)C(C)(C)C1 ZINC000330582472 410796646 /nfs/dbraw/zinc/79/66/46/410796646.db2.gz USLWVPTWZJDQOT-UHFFFAOYSA-N 1 0 309.341 1.829 20 5 DDBDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000330586593 410801741 /nfs/dbraw/zinc/80/17/41/410801741.db2.gz LTWHXYXSZQRZMB-RYUDHWBXSA-N 1 0 306.366 1.558 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NCC[NH+]1CCC1 ZINC000337380073 410748319 /nfs/dbraw/zinc/74/83/19/410748319.db2.gz CRENYEVCPXJXDH-UHFFFAOYSA-N 1 0 308.338 1.108 20 5 DDBDRO Cc1cc(N2CCC[C@@H]2C[N@@H+]2CCC[C@@H]2CO)ncc1[N+](=O)[O-] ZINC000301591955 410750346 /nfs/dbraw/zinc/75/03/46/410750346.db2.gz YMBUURHMBHKJCR-ZIAGYGMSSA-N 1 0 320.393 1.724 20 5 DDBDRO CCOC(=O)c1ccnc(N2CC[N@H+](C)CC[C@H]2C)c1[N+](=O)[O-] ZINC000348174278 410836785 /nfs/dbraw/zinc/83/67/85/410836785.db2.gz KIPJQQZEKGPNMA-LLVKDONJSA-N 1 0 322.365 1.697 20 5 DDBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@H](CO)C2CCOCC2)cc1 ZINC000359881279 410932520 /nfs/dbraw/zinc/93/25/20/410932520.db2.gz WVPUOEFGUVFMDL-OAHLLOKOSA-N 1 0 310.350 1.351 20 5 DDBDRO COc1ccc(NC(=O)CN(C)[C@H](C[NH3+])C2CC2)c([N+](=O)[O-])c1 ZINC000359984767 410983083 /nfs/dbraw/zinc/98/30/83/410983083.db2.gz MTPTWXZILAXJTB-CQSZACIVSA-N 1 0 322.365 1.211 20 5 DDBDRO Cn1ccnc1[C@@H](NCCC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000353444062 410987781 /nfs/dbraw/zinc/98/77/81/410987781.db2.gz FSDMYZFLSSOTKC-HNNXBMFYSA-N 1 0 317.393 1.959 20 5 DDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@H](CO)C2CC2)n1 ZINC000353484093 411020204 /nfs/dbraw/zinc/02/02/04/411020204.db2.gz PXBXHKFYIJNMPN-HZSPNIEDSA-N 1 0 308.382 1.883 20 5 DDBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000353711000 411116938 /nfs/dbraw/zinc/11/69/38/411116938.db2.gz LWTWHXFLVUQLAV-NSHDSACASA-N 1 0 307.354 1.122 20 5 DDBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](CN3CCOCC3)C2)cc1 ZINC000129300079 196037758 /nfs/dbraw/zinc/03/77/58/196037758.db2.gz RCDQJVGLZQWCKR-HNNXBMFYSA-N 1 0 305.378 1.749 20 5 DDBDRO Cc1ccc(S(=O)(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000132352708 196248334 /nfs/dbraw/zinc/24/83/34/196248334.db2.gz JVHYVGOZYPSKFB-MNOVXSKESA-N 1 0 313.379 1.261 20 5 DDBDRO C[NH+](C)C[C@H](O)CN[C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417317129 225292361 /nfs/dbraw/zinc/29/23/61/225292361.db2.gz VRMGPQYHQCLVCJ-ZBFHGGJFSA-N 1 0 307.394 1.874 20 5 DDBDRO C[C@]1(CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)CCC[NH2+]C1 ZINC000417225707 225253784 /nfs/dbraw/zinc/25/37/84/225253784.db2.gz JWHWBFZOARJMJD-INIZCTEOSA-N 1 0 320.393 1.826 20 5 DDBDRO CN(C)C(=O)O[C@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000296675260 226112109 /nfs/dbraw/zinc/11/21/09/226112109.db2.gz KYTPRWQRCUOPHI-AWEZNQCLSA-N 1 0 307.350 1.910 20 5 DDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420369129 226476050 /nfs/dbraw/zinc/47/60/50/226476050.db2.gz BRCSRGHAOQTKER-UPJWGTAASA-N 1 0 320.393 1.839 20 5 DDBDRO C[C@@H]1C[N@H+](C)C[C@H]1c1nc(-c2ccc(N)c([N+](=O)[O-])c2)no1 ZINC000361027801 418568803 /nfs/dbraw/zinc/56/88/03/418568803.db2.gz ZUFJEMGAWFFTDD-PSASIEDQSA-N 1 0 303.322 1.892 20 5 DDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CC[N@H+](C[C@@H](C)O)C[C@@H]1C ZINC000361006287 418564381 /nfs/dbraw/zinc/56/43/81/418564381.db2.gz CHBKAXGVKDLERS-WDEREUQCSA-N 1 0 311.386 1.011 20 5 DDBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000191814540 222109704 /nfs/dbraw/zinc/10/97/04/222109704.db2.gz TXVVSNCAUGSNFM-GFCCVEGCSA-N 1 0 323.397 1.806 20 5 DDBDRO CNC(=O)c1ccc(N2CC[C@@H]3CC[N@H+](C)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000375035558 418591790 /nfs/dbraw/zinc/59/17/90/418591790.db2.gz CTNFLEBQLKZOOS-XHDPSFHLSA-N 1 0 318.377 1.485 20 5 DDBDRO C[C@H](CO)[N@@H+]1CCCN(c2ccc([N+](=O)[O-])c3nonc32)CC1 ZINC000375509505 418651485 /nfs/dbraw/zinc/65/14/85/418651485.db2.gz WCAYVFXLMZRSIY-SNVBAGLBSA-N 1 0 321.337 1.024 20 5 DDBDRO C[C@H]1[C@H](Nc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CCC[N@@H+]1C ZINC000343497484 418631695 /nfs/dbraw/zinc/63/16/95/418631695.db2.gz DPTXECOQXSRXBH-GXFFZTMASA-N 1 0 317.349 2.539 20 5 DDBDRO CCCCNC(=O)[C@@H](C)N1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375399825 418635232 /nfs/dbraw/zinc/63/52/32/418635232.db2.gz AXNSRNNSIYELME-OLZOCXBDSA-N 1 0 323.397 1.733 20 5 DDBDRO O=[N+]([O-])c1cnn([C@@H]2CCC[N@H+](CCCN3CCOCC3)C2)c1 ZINC000375404207 418636423 /nfs/dbraw/zinc/63/64/23/418636423.db2.gz NPRMPOYEFKFXGN-CQSZACIVSA-N 1 0 323.397 1.151 20 5 DDBDRO NC(=O)C[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000367988738 418670242 /nfs/dbraw/zinc/67/02/42/418670242.db2.gz MPJPSEHGSDMWMW-NSHDSACASA-N 1 0 320.349 1.121 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000361630098 418693154 /nfs/dbraw/zinc/69/31/54/418693154.db2.gz SILWVMMRZGCPMN-VXGBXAGGSA-N 1 0 319.361 1.960 20 5 DDBDRO O=C(CCNc1ccccc1[N+](=O)[O-])NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000368191843 418700627 /nfs/dbraw/zinc/70/06/27/418700627.db2.gz CNFMOQTVXPSGTI-QWRGUYRKSA-N 1 0 310.329 1.213 20 5 DDBDRO CC1(C)C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CCCO1 ZINC000370910394 418748666 /nfs/dbraw/zinc/74/86/66/418748666.db2.gz GRAODFNISYEDSE-UHFFFAOYSA-N 1 0 307.350 1.695 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1CN1CCO[C@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000371299473 418776974 /nfs/dbraw/zinc/77/69/74/418776974.db2.gz HFRMQDFDMVICMI-DYEKYZERSA-N 1 0 323.397 1.012 20 5 DDBDRO C[N@H+]1Cc2ccccc2[C@H](Nc2ccc3ncc([N+](=O)[O-])n3n2)C1 ZINC000371338592 418779833 /nfs/dbraw/zinc/77/98/33/418779833.db2.gz FKNXCAUQTBRILU-CYBMUJFWSA-N 1 0 324.344 2.236 20 5 DDBDRO C[C@H](CO)[N@@H+]1CCCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000364923908 418822855 /nfs/dbraw/zinc/82/28/55/418822855.db2.gz RYSYZPYTUULFJE-NFBGWVBBSA-N 1 0 319.405 1.997 20 5 DDBDRO O=C(Cn1cc([N+](=O)[O-])cn1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000365554477 418875823 /nfs/dbraw/zinc/87/58/23/418875823.db2.gz OPKJZJPJQXYGTE-CYBMUJFWSA-N 1 0 321.381 1.126 20 5 DDBDRO Cc1ccc([C@H](C)NC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)cc1[N+](=O)[O-] ZINC000417822200 419341067 /nfs/dbraw/zinc/34/10/67/419341067.db2.gz FFYZXBJFQGFLJK-LNSITVRQSA-N 1 0 318.377 1.968 20 5 DDBDRO Cn1cc([C@@H]2CN(Cc3csc([N+](=O)[O-])c3)C[C@H]2[NH3+])cn1 ZINC000424296139 228256522 /nfs/dbraw/zinc/25/65/22/228256522.db2.gz QKUFCXVRRFFZTA-NWDGAFQWSA-N 1 0 307.379 1.317 20 5 DDBDRO CNC(=O)[C@@H]1CC[N@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000420975175 419396935 /nfs/dbraw/zinc/39/69/35/419396935.db2.gz NUVULYASXZUUSE-LLVKDONJSA-N 1 0 323.349 1.050 20 5 DDBDRO C[C@@H]1[C@H](CO)CC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411656130 419373523 /nfs/dbraw/zinc/37/35/23/419373523.db2.gz PJPSQIHSGCPQHB-NEPJUHHUSA-N 1 0 307.350 1.626 20 5 DDBDRO COc1ccc(OCC[NH2+]C2(C(=O)N(C)C)CC2)c([N+](=O)[O-])c1 ZINC000411917757 419481601 /nfs/dbraw/zinc/48/16/01/419481601.db2.gz ZRQBADYPYUAVMA-UHFFFAOYSA-N 1 0 323.349 1.193 20 5 DDBDRO C[C@H](C[NH3+])NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000417999333 419464872 /nfs/dbraw/zinc/46/48/72/419464872.db2.gz WFCNNSDEXXYQRM-MRVPVSSYSA-N 1 0 300.746 1.437 20 5 DDBDRO Cc1c(CNC(=O)N2CC[NH2+][C@H](C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000418082585 419519352 /nfs/dbraw/zinc/51/93/52/419519352.db2.gz QQILTMJZPHTKSP-VXGBXAGGSA-N 1 0 306.366 1.795 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)C[C@@H]1CCC[NH2+]CC1 ZINC000427333601 419641424 /nfs/dbraw/zinc/64/14/24/419641424.db2.gz AOYXBFHRFCXUEM-GFCCVEGCSA-N 1 0 321.377 1.999 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(CC(=O)NCC[NH+]2CCC2)c1F ZINC000412212380 419725870 /nfs/dbraw/zinc/72/58/70/419725870.db2.gz VIOSSDVBBKHONI-UHFFFAOYSA-N 1 0 311.313 1.107 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CC[N@H+](CC)[C@H](C)C2)n1 ZINC000427844431 419752578 /nfs/dbraw/zinc/75/25/78/419752578.db2.gz CUKBEFAKMNOQFE-NEPJUHHUSA-N 1 0 323.397 1.756 20 5 DDBDRO C[NH+](C)C[C@@](C)(O)CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412203259 419719368 /nfs/dbraw/zinc/71/93/68/419719368.db2.gz GHXMUWSSRLSWEC-LZWOXQAQSA-N 1 0 321.377 1.127 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCC[NH+]1CCCCC1 ZINC000299265599 229016556 /nfs/dbraw/zinc/01/65/56/229016556.db2.gz WTFZLSGSGVSNFW-UHFFFAOYSA-N 1 0 309.370 1.092 20 5 DDBDRO C[C@H]1CCC[C@@](CNC(=O)Cn2ccc([N+](=O)[O-])n2)([NH+](C)C)C1 ZINC000299271426 229020673 /nfs/dbraw/zinc/02/06/73/229020673.db2.gz JMJZIKCLXXNMLM-SWLSCSKDSA-N 1 0 323.397 1.418 20 5 DDBDRO Cn1ccnc1[C@@H](NC[C@@H]([NH3+])C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000423326292 420013742 /nfs/dbraw/zinc/01/37/42/420013742.db2.gz QWQZFMQKXZWXGB-CABCVRRESA-N 1 0 315.377 1.745 20 5 DDBDRO COc1ccc(NC(=O)NC2CCC([NH3+])CC2)cc1[N+](=O)[O-] ZINC000415433116 420062822 /nfs/dbraw/zinc/06/28/22/420062822.db2.gz GNDBVZNAXDNOIL-UHFFFAOYSA-N 1 0 308.338 1.995 20 5 DDBDRO COc1ccc(NC(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)cc1[N+](=O)[O-] ZINC000415436127 420064283 /nfs/dbraw/zinc/06/42/83/420064283.db2.gz JHNDUDIWGNYRJZ-CMPLNLGQSA-N 1 0 320.349 1.819 20 5 DDBDRO Cc1ccc(NC(=O)C(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)cc1[N+](=O)[O-] ZINC000415531588 420101408 /nfs/dbraw/zinc/10/14/08/420101408.db2.gz VEHKIHLPSGTQNX-WDEREUQCSA-N 1 0 320.349 1.037 20 5 DDBDRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000423660578 420118257 /nfs/dbraw/zinc/11/82/57/420118257.db2.gz GHMWYSGHIYJNNH-GWCFXTLKSA-N 1 0 315.333 1.342 20 5 DDBDRO CCOC(=O)c1cc(C(=O)N[C@@H](C)[C@H](C)[NH3+])cc([N+](=O)[O-])c1 ZINC000423675931 420123399 /nfs/dbraw/zinc/12/33/99/420123399.db2.gz IFGVGZWXIYLGCJ-IUCAKERBSA-N 1 0 309.322 1.237 20 5 DDBDRO Cc1ccc(NC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000415649195 420135666 /nfs/dbraw/zinc/13/56/66/420135666.db2.gz PJMUTBQTAGAGEO-GHMZBOCLSA-N 1 0 320.349 1.228 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000415650988 420136475 /nfs/dbraw/zinc/13/64/75/420136475.db2.gz GCRRESSAXQAKER-LBPRGKRZSA-N 1 0 308.338 1.852 20 5 DDBDRO COc1ccc(NC(=O)N[C@H]2CC[NH2+]C[C@@H]2C)cc1[N+](=O)[O-] ZINC000415447149 420071487 /nfs/dbraw/zinc/07/14/87/420071487.db2.gz UDUXHLREVJLTTC-ONGXEEELSA-N 1 0 308.338 1.723 20 5 DDBDRO CC1(C)C[C@H]([NH2+]C[C@@H]2CNCCO2)c2cc([N+](=O)[O-])ccc21 ZINC000423580177 420087351 /nfs/dbraw/zinc/08/73/51/420087351.db2.gz XHTIRRHKOZJKPL-WFASDCNBSA-N 1 0 305.378 1.895 20 5 DDBDRO O=C(C[NH2+]C[C@H]1CCCO1)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000423718159 420141605 /nfs/dbraw/zinc/14/16/05/420141605.db2.gz CJHQAIOQZNIOLJ-SNVBAGLBSA-N 1 0 319.321 1.178 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1CN(C)C1CC[NH+](CCO)CC1 ZINC000430194026 420088888 /nfs/dbraw/zinc/08/88/88/420088888.db2.gz HTKBTARJSCNWAN-UHFFFAOYSA-N 1 0 323.393 1.492 20 5 DDBDRO CC[C@H](CO)[NH+]1CCN(Cc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000430225756 420092956 /nfs/dbraw/zinc/09/29/56/420092956.db2.gz MZPIIFKSWBMPHT-CQSZACIVSA-N 1 0 323.393 1.492 20 5 DDBDRO CC1(C)CCC[NH2+][C@@H]1CNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000430731989 420184200 /nfs/dbraw/zinc/18/42/00/420184200.db2.gz NWGMODKKQXEFBI-CQSZACIVSA-N 1 0 321.377 1.868 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)C1(C[NH3+])CCC1 ZINC000420321938 420206613 /nfs/dbraw/zinc/20/66/13/420206613.db2.gz DGISSJBYVDMTHK-UHFFFAOYSA-N 1 0 306.366 1.655 20 5 DDBDRO Cc1c(NC(=O)CCN2CCC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000430599675 420153184 /nfs/dbraw/zinc/15/31/84/420153184.db2.gz AWTPEKGGMMSYTH-UHFFFAOYSA-N 1 0 306.366 1.527 20 5 DDBDRO [NH3+]C[C@H]1CCCC[C@@H]1Nc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000420210389 420153431 /nfs/dbraw/zinc/15/34/31/420153431.db2.gz WFRQRJIXPGCAQF-YPMHNXCESA-N 1 0 317.349 2.574 20 5 DDBDRO [NH3+][C@@H]1CC[C@@H]2CN(c3nc(-c4ccc([N+](=O)[O-])cc4)no3)C[C@H]12 ZINC000420228521 420158916 /nfs/dbraw/zinc/15/89/16/420158916.db2.gz LPEPPOARZCDFFH-KGYLQXTDSA-N 1 0 315.333 1.818 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000415736175 420159803 /nfs/dbraw/zinc/15/98/03/420159803.db2.gz FJZUPRIUMOSBJU-QWRGUYRKSA-N 1 0 320.349 1.098 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)C1CC[NH2+]CC1 ZINC000430629769 420165490 /nfs/dbraw/zinc/16/54/90/420165490.db2.gz QWCZHFXIRSBFGD-UHFFFAOYSA-N 1 0 322.365 1.226 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[NH2+]CC1 ZINC000430639573 420168022 /nfs/dbraw/zinc/16/80/22/420168022.db2.gz PQQFUPUVVUKNIU-UHFFFAOYSA-N 1 0 322.365 1.227 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[NH2+]CC1 ZINC000430641922 420170343 /nfs/dbraw/zinc/17/03/43/420170343.db2.gz NIWJDAVSVOLFFF-UHFFFAOYSA-N 1 0 306.366 1.527 20 5 DDBDRO COc1ccc(NC(=O)CN2C[C@@H](C)[NH2+][C@H](C)C2)c([N+](=O)[O-])c1 ZINC000430966080 420226560 /nfs/dbraw/zinc/22/65/60/420226560.db2.gz MGEOMDDKLSGFPX-GHMZBOCLSA-N 1 0 322.365 1.224 20 5 DDBDRO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000420360493 420235601 /nfs/dbraw/zinc/23/56/01/420235601.db2.gz HERXQIOYHBHBDK-RULNRJAQSA-N 1 0 306.366 1.170 20 5 DDBDRO C[NH+]1CCC(Nc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000432146007 420241198 /nfs/dbraw/zinc/24/11/98/420241198.db2.gz YMQXUVPDXXKMHH-UHFFFAOYSA-N 1 0 303.322 2.151 20 5 DDBDRO O=C(N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])o1 ZINC000423928339 420270934 /nfs/dbraw/zinc/27/09/34/420270934.db2.gz GZTYTUWOTBSFHH-NWDGAFQWSA-N 1 0 301.302 1.673 20 5 DDBDRO CN(CC(=O)N(C)[C@@H](C[NH3+])C1CC1)c1ccccc1[N+](=O)[O-] ZINC000423946357 420277853 /nfs/dbraw/zinc/27/78/53/420277853.db2.gz JMNRAXFVBHUUQU-AWEZNQCLSA-N 1 0 306.366 1.227 20 5 DDBDRO C[C@@H]1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C[C@@H]1C[NH3+] ZINC000424014711 420306876 /nfs/dbraw/zinc/30/68/76/420306876.db2.gz LUQRKTKIYNTXLS-ZJUUUORDSA-N 1 0 317.349 1.528 20 5 DDBDRO C[N@@H+]1CCC[C@@H]2CN(c3c(C(N)=O)cccc3[N+](=O)[O-])CC[C@H]21 ZINC000420606980 420328810 /nfs/dbraw/zinc/32/88/10/420328810.db2.gz ZBXYWDQTLAGUIX-DGCLKSJQSA-N 1 0 318.377 1.614 20 5 DDBDRO CN(C(=O)c1cc([N+](=O)[O-])cnc1N)C(C)(C)C[NH+]1CCCC1 ZINC000416336055 420335392 /nfs/dbraw/zinc/33/53/92/420335392.db2.gz XTCYCSDTVXXMEV-UHFFFAOYSA-N 1 0 321.381 1.518 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423986973 420292680 /nfs/dbraw/zinc/29/26/80/420292680.db2.gz USFASTPWAYVVCN-MEBBXXQBSA-N 1 0 307.350 1.660 20 5 DDBDRO C[NH+](C)CC(C)(C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000416511514 420402597 /nfs/dbraw/zinc/40/25/97/420402597.db2.gz XVNYYMRLHUOFRS-UHFFFAOYSA-N 1 0 301.368 1.213 20 5 DDBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@H](n3ccnn3)C2)cc1 ZINC000425504905 420403550 /nfs/dbraw/zinc/40/35/50/420403550.db2.gz XOBLWHNGIPACMW-AWEZNQCLSA-N 1 0 317.349 1.902 20 5 DDBDRO C[C@H]1COCCN1CCNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000446186914 230238506 /nfs/dbraw/zinc/23/85/06/230238506.db2.gz BEBQSIMRTSIRCU-ZDUSSCGKSA-N 1 0 321.377 1.364 20 5 DDBDRO CCc1n[nH]c(C(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000457115292 420619842 /nfs/dbraw/zinc/61/98/42/420619842.db2.gz KWSBUMIMKVJRGB-SNVBAGLBSA-N 1 0 309.370 1.435 20 5 DDBDRO COc1ccc(C[NH2+][C@@H](C)C[C@@H]2COCCN2)cc1[N+](=O)[O-] ZINC000422951211 533684431 /nfs/dbraw/zinc/68/44/31/533684431.db2.gz ZWAARSCEDWYBJX-WCQYABFASA-N 1 0 309.366 1.460 20 5 DDBDRO COCC[C@]1([NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])CCOC1 ZINC000447380245 420769029 /nfs/dbraw/zinc/76/90/29/420769029.db2.gz DQUGLLKAIBVICE-HNNXBMFYSA-N 1 0 323.349 1.319 20 5 DDBDRO COCC[C@@]1([NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2)CCOC1 ZINC000447396840 420771276 /nfs/dbraw/zinc/77/12/76/420771276.db2.gz XHKBNOHQUPTAHH-OAHLLOKOSA-N 1 0 310.350 1.889 20 5 DDBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCC2(CC[NH2+]2)CC1 ZINC000493252328 420799916 /nfs/dbraw/zinc/79/99/16/420799916.db2.gz AHOKAQVBYJICPN-ZZXKWVIFSA-N 1 0 301.346 1.963 20 5 DDBDRO O=C(NC[C@H]1CCCC[N@H+]1CCO)Nc1ccc([N+](=O)[O-])cc1 ZINC000454269364 420827900 /nfs/dbraw/zinc/82/79/00/420827900.db2.gz FNSCDMOKEDHGAP-CQSZACIVSA-N 1 0 322.365 1.563 20 5 DDBDRO O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000493386943 420835284 /nfs/dbraw/zinc/83/52/84/420835284.db2.gz OQWWCHCLQNIMIM-WVSCJACDSA-N 1 0 319.336 1.815 20 5 DDBDRO CC[C@@H]1OCC[C@H]1[NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000459765204 420868111 /nfs/dbraw/zinc/86/81/11/420868111.db2.gz CJEOYBVMLQFPOM-KFWWJZLASA-N 1 0 319.361 1.857 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CN(C)CCN1C ZINC000449138850 420957471 /nfs/dbraw/zinc/95/74/71/420957471.db2.gz JEMXUEFKZVUKRL-HIFRSBDPSA-N 1 0 306.410 1.361 20 5 DDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CN(C)CCN1C ZINC000449138849 420957943 /nfs/dbraw/zinc/95/79/43/420957943.db2.gz JEMXUEFKZVUKRL-DZGCQCFKSA-N 1 0 306.410 1.361 20 5 DDBDRO Nc1c(C(=O)NCCC[C@@H]2CCC[NH2+]2)cc(F)cc1[N+](=O)[O-] ZINC000449685736 421057245 /nfs/dbraw/zinc/05/72/45/421057245.db2.gz VSZMRAYQFACGAZ-JTQLQIEISA-N 1 0 310.329 1.578 20 5 DDBDRO O=[N+]([O-])c1ccc(CNC[C@@H]2CCC[N@H+]2CCCO)c(F)c1 ZINC000449384160 421002388 /nfs/dbraw/zinc/00/23/88/421002388.db2.gz AGVMMESPKGQIKS-AWEZNQCLSA-N 1 0 311.357 1.670 20 5 DDBDRO COc1cc(CN2C[C@@H]3CC[N@H+](C)[C@@H]3C2)c([N+](=O)[O-])cc1OC ZINC000449520278 421019959 /nfs/dbraw/zinc/01/99/59/421019959.db2.gz RSVXHTGLAMSOCO-SMDDNHRTSA-N 1 0 321.377 1.748 20 5 DDBDRO CNc1nc(C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000455879219 421072862 /nfs/dbraw/zinc/07/28/62/421072862.db2.gz CBBPRZDXJQOUEJ-VHSXEESVSA-N 1 0 319.365 1.387 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[N@H+](C)[C@H](C(C)C)C1 ZINC000489375320 421151290 /nfs/dbraw/zinc/15/12/90/421151290.db2.gz OUUNVGKJNPIQFX-ZDUSSCGKSA-N 1 0 323.397 1.288 20 5 DDBDRO Cc1nn(C)c(C(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000522901425 421227187 /nfs/dbraw/zinc/22/71/87/421227187.db2.gz YPTZQMBOIQYONW-NSHDSACASA-N 1 0 309.370 1.097 20 5 DDBDRO C[NH+](C)CCOc1ccc(NC(=O)c2c[nH]nc2[N+](=O)[O-])cc1 ZINC000548739738 421469595 /nfs/dbraw/zinc/46/95/95/421469595.db2.gz RIHSXBNYAXXGKL-UHFFFAOYSA-N 1 0 319.321 1.511 20 5 DDBDRO O=C(CCn1cc([N+](=O)[O-])cn1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000515058822 421476782 /nfs/dbraw/zinc/47/67/82/421476782.db2.gz BWXMJKRIFFOIDZ-OLZOCXBDSA-N 1 0 321.381 1.030 20 5 DDBDRO Cc1ccc(S(=O)(=O)N2CC[C@H]([NH3+])C[C@H]2C)c([N+](=O)[O-])c1 ZINC000516310354 421541200 /nfs/dbraw/zinc/54/12/00/421541200.db2.gz QVNWFSCSXOUMKT-MNOVXSKESA-N 1 0 313.379 1.404 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1C[N@H+](CC(C)(C)O)C1CCOCC1 ZINC000531415998 421634130 /nfs/dbraw/zinc/63/41/30/421634130.db2.gz XJVSRCIAIBADKY-UHFFFAOYSA-N 1 0 312.370 1.080 20 5 DDBDRO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1csc([N+](=O)[O-])c1 ZINC000539920507 421756200 /nfs/dbraw/zinc/75/62/00/421756200.db2.gz FSTMHCZKPLADEO-NSHDSACASA-N 1 0 315.395 1.479 20 5 DDBDRO CC[N@H+](C)C[C@@H](O)CN1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000559637073 421836992 /nfs/dbraw/zinc/83/69/92/421836992.db2.gz HRRYKFUKXAEJBR-MRXNPFEDSA-N 1 0 322.409 1.029 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)n1 ZINC000581189425 421918828 /nfs/dbraw/zinc/91/88/28/421918828.db2.gz OUXHMGFMYNSKHH-GFCCVEGCSA-N 1 0 321.381 1.273 20 5 DDBDRO CC(C)([NH3+])c1nocc1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000581259837 421934780 /nfs/dbraw/zinc/93/47/80/421934780.db2.gz ADPOLMNUOZFZJL-UHFFFAOYSA-N 1 0 304.306 1.707 20 5 DDBDRO COc1ccc(CC(=O)N2C[C@H](C)[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC000575398931 422295776 /nfs/dbraw/zinc/29/57/76/422295776.db2.gz FRRQNOFWUYOZFC-WDEREUQCSA-N 1 0 307.350 1.355 20 5 DDBDRO Cc1c(C[NH3+])c(NC(=O)c2cccc([N+](=O)[O-])c2C)nn1C ZINC000595960943 422359621 /nfs/dbraw/zinc/35/96/21/422359621.db2.gz GTYOMNYVVAVMOM-UHFFFAOYSA-N 1 0 303.322 1.656 20 5 DDBDRO Nc1nc(N[C@@H]2CC[N@@H+](C3CCCCC3)C2)ncc1[N+](=O)[O-] ZINC000596477882 422378595 /nfs/dbraw/zinc/37/85/95/422378595.db2.gz LHRHJCLTCLUAOX-SNVBAGLBSA-N 1 0 306.370 1.786 20 5 DDBDRO C[C@@H]1C[N@@H+](CCCCNc2ccc(N)c([N+](=O)[O-])n2)C[C@H](C)O1 ZINC000590584696 422321053 /nfs/dbraw/zinc/32/10/53/422321053.db2.gz ACIYOHRFQBJYKB-TXEJJXNPSA-N 1 0 323.397 1.873 20 5 DDBDRO COC(=O)c1cc(C(=O)N2CCC[C@@H](C[NH3+])C2)cc([N+](=O)[O-])c1 ZINC000577608548 422389750 /nfs/dbraw/zinc/38/97/50/422389750.db2.gz SZISYXKUOSYVFP-JTQLQIEISA-N 1 0 321.333 1.192 20 5 DDBDRO Cc1ccc(S(=O)(=O)N[C@@H](C)C[C@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000577729398 422416385 /nfs/dbraw/zinc/41/63/85/422416385.db2.gz MXRAALMAYCMEBV-UWVGGRQHSA-N 1 0 301.368 1.307 20 5 DDBDRO [NH3+]CCN(Cc1ccccc1)C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000184192043 263386384 /nfs/dbraw/zinc/38/63/84/263386384.db2.gz FOKYVSTUEXBTSD-UHFFFAOYSA-N 1 0 317.349 1.169 20 5 DDBDRO O=C(/C=C\c1cccc([N+](=O)[O-])c1)NCCCN1CC[NH2+]CC1 ZINC000319732949 271022754 /nfs/dbraw/zinc/02/27/54/271022754.db2.gz RIEWVIVUIHVOOF-WAYWQWQTSA-N 1 0 318.377 1.020 20 5 DDBDRO Cn1ccc(CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000345444807 272252381 /nfs/dbraw/zinc/25/23/81/272252381.db2.gz SFAFGFBBSBNQCW-NSHDSACASA-N 1 0 302.338 1.410 20 5 DDBDRO COc1cc(N2CCC[N@H+](CCO)CC2)c([N+](=O)[O-])cc1F ZINC000125342374 274096256 /nfs/dbraw/zinc/09/62/56/274096256.db2.gz AVFXJNABOLOZRN-UHFFFAOYSA-N 1 0 313.329 1.247 20 5 DDBDRO CS[C@@H]1CN(c2ccc([N+](=O)[O-])c3nonc32)C[C@H]1[NH+](C)C ZINC000270923759 274182559 /nfs/dbraw/zinc/18/25/59/274182559.db2.gz BEKZGSDZRVWLIK-GHMZBOCLSA-N 1 0 323.378 1.613 20 5 DDBDRO CCS(=O)(=O)C[C@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000121050829 276388973 /nfs/dbraw/zinc/38/89/73/276388973.db2.gz WUYZNTMKSOUTIG-NSHDSACASA-N 1 0 300.380 1.550 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[C@@H]2C[NH3+])c1 ZINC000422871552 276497036 /nfs/dbraw/zinc/49/70/36/276497036.db2.gz ZBUSCAJKXADDJF-ZWNOBZJWSA-N 1 0 307.350 1.851 20 5 DDBDRO CN(CC(=O)NC1(C[NH3+])CCCC1)c1ccccc1[N+](=O)[O-] ZINC000237052223 276917641 /nfs/dbraw/zinc/91/76/41/276917641.db2.gz WETUCGWQJIZETC-UHFFFAOYSA-N 1 0 306.366 1.419 20 5 DDBDRO C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000286001998 277152539 /nfs/dbraw/zinc/15/25/39/277152539.db2.gz ZAJJBUZCMFAFCU-KGLIPLIRSA-N 1 0 305.334 1.140 20 5 DDBDRO COC(=O)c1cnc(N2CC[NH+](CC(C)C)CC2)c([N+](=O)[O-])c1 ZINC000302792467 277168176 /nfs/dbraw/zinc/16/81/76/277168176.db2.gz ZMUWWXUCTIYNGL-UHFFFAOYSA-N 1 0 322.365 1.554 20 5 DDBDRO CCOc1cccc(N2CC[NH+](CC(C)(C)O)CC2)c1[N+](=O)[O-] ZINC000302105636 279972091 /nfs/dbraw/zinc/97/20/91/279972091.db2.gz XJKQVTAHOBIFKO-UHFFFAOYSA-N 1 0 323.393 1.886 20 5 DDBDRO Cc1cc(C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)ccc1[N+](=O)[O-] ZINC000261940027 280334338 /nfs/dbraw/zinc/33/43/38/280334338.db2.gz UQBUPQCTKQFAOZ-CQSZACIVSA-N 1 0 318.377 1.023 20 5 DDBDRO C[NH+]1CCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000154410934 281803360 /nfs/dbraw/zinc/80/33/60/281803360.db2.gz KYRJKJIIMZOCNC-UHFFFAOYSA-N 1 0 301.293 1.944 20 5 DDBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2c2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000248683298 290239985 /nfs/dbraw/zinc/23/99/85/290239985.db2.gz XTDHZEGWSRCGDX-STQMWFEESA-N 1 0 318.377 1.614 20 5 DDBDRO C[C@H]1CCC[C@](CNC(=O)c2c([N+](=O)[O-])cnn2C)([NH+](C)C)C1 ZINC000163429755 298209639 /nfs/dbraw/zinc/20/96/39/298209639.db2.gz IWSDFTUPDWCTKZ-NHYWBVRUSA-N 1 0 323.397 1.569 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+]C(C)(C)C(C)(C)O ZINC000356259505 298744925 /nfs/dbraw/zinc/74/49/25/298744925.db2.gz TWZWLGFPOUSMSH-UHFFFAOYSA-N 1 0 309.366 1.981 20 5 DDBDRO COc1cc(C[N@@H+]2C[C@@H]3CC[C@@H](O)[C@@H]3C2)c([N+](=O)[O-])cc1F ZINC000362193321 300025980 /nfs/dbraw/zinc/02/59/80/300025980.db2.gz YOVXSKKYDKNBIL-DRCTWCGVSA-N 1 0 310.325 1.945 20 5 DDBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)[C@H]1C[C@@H]1[N+](=O)[O-] ZINC000363052877 300204647 /nfs/dbraw/zinc/20/46/47/300204647.db2.gz BFFUIIZGLKHCMK-KBMXLJTQSA-N 1 0 317.389 1.775 20 5 DDBDRO CNC(=O)c1ccc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000363099273 300210794 /nfs/dbraw/zinc/21/07/94/300210794.db2.gz FQVFTMVTMDHMAQ-OLZOCXBDSA-N 1 0 318.377 1.993 20 5 DDBDRO COc1cccc(N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c1[N+](=O)[O-] ZINC000368384980 301016022 /nfs/dbraw/zinc/01/60/22/301016022.db2.gz ZGAYGMFJCYUWLL-GXTWGEPZSA-N 1 0 321.377 1.639 20 5 DDBDRO Nc1ccc(C(=O)N2CCCC3(CC[NH2+]CC3)C2)cc1[N+](=O)[O-] ZINC000368821667 301092848 /nfs/dbraw/zinc/09/28/48/301092848.db2.gz CLBHYJAUYICKPZ-UHFFFAOYSA-N 1 0 318.377 1.783 20 5 DDBDRO CC1(C)C[N@H+](CCn2ccc([N+](=O)[O-])n2)C[C@]2(CCOC2)O1 ZINC000369868897 301231923 /nfs/dbraw/zinc/23/19/23/301231923.db2.gz VTDUJVHWLSUALY-AWEZNQCLSA-N 1 0 310.354 1.061 20 5 DDBDRO O=C1CCCCN1[C@@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000370025038 301260321 /nfs/dbraw/zinc/26/03/21/301260321.db2.gz CFGITGFRIBQGQC-CYBMUJFWSA-N 1 0 321.381 1.268 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCCC[C@@H]2Cn2cccn2)n1 ZINC000370027046 301261430 /nfs/dbraw/zinc/26/14/30/301261430.db2.gz NMCWFPGRRKLTIT-CYBMUJFWSA-N 1 0 304.354 1.543 20 5 DDBDRO Cc1cc(C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)c([N+](=O)[O-])c(=O)[nH]1 ZINC000370263411 301304484 /nfs/dbraw/zinc/30/44/84/301304484.db2.gz XOXPIIFZKQIUQI-CMPLNLGQSA-N 1 0 320.349 1.170 20 5 DDBDRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(F)cc1[N+](=O)[O-] ZINC000370465580 301344796 /nfs/dbraw/zinc/34/47/96/301344796.db2.gz TWVADDFRNRVSHC-NWDGAFQWSA-N 1 0 323.324 1.327 20 5 DDBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000372912195 301631605 /nfs/dbraw/zinc/63/16/05/301631605.db2.gz OCULTKJFPDOKMD-ROAXPNGRSA-N 1 0 301.346 1.818 20 5 DDBDRO COc1ccc(OCCN2CCC[C@H]3C[NH2+]C[C@H]32)c([N+](=O)[O-])c1 ZINC000420333850 302382713 /nfs/dbraw/zinc/38/27/13/302382713.db2.gz FWYXGSHIMWXYMP-SWLSCSKDSA-N 1 0 321.377 1.666 20 5 DDBDRO COc1ccc(CC(=O)NC[C@@]2(C)CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000519766837 302853527 /nfs/dbraw/zinc/85/35/27/302853527.db2.gz XEWYEDZCIAWNJJ-INIZCTEOSA-N 1 0 321.377 1.652 20 5 DDBDRO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cn1)[NH+]1CCC(C)CC1 ZINC000532145906 303277566 /nfs/dbraw/zinc/27/75/66/303277566.db2.gz RSNQNWCUYCWICJ-LBPRGKRZSA-N 1 0 306.366 1.840 20 5 DDBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N1CC[NH+]2CCC1CC2 ZINC000560067003 303799056 /nfs/dbraw/zinc/79/90/56/303799056.db2.gz MHKXYQRGZNYVAM-UHFFFAOYSA-N 1 0 304.350 1.584 20 5 DDBDRO [NH3+][C@@H]1CCC[C@H](CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000562980059 303905289 /nfs/dbraw/zinc/90/52/89/303905289.db2.gz HPPNRWAUYADTIM-VHSXEESVSA-N 1 0 321.333 1.571 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@H]2CCOC3(CCC3)C2)c1 ZINC000563001265 303908345 /nfs/dbraw/zinc/90/83/45/303908345.db2.gz ROGKMXUYKKOWEF-GXTWGEPZSA-N 1 0 324.381 1.091 20 5 DDBDRO O=C(CC[N@H+]1C[C@H](O)C2(CC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000364444974 307045862 /nfs/dbraw/zinc/04/58/62/307045862.db2.gz RFHMFASCNZFKKW-ZDUSSCGKSA-N 1 0 305.334 1.380 20 5 DDBDRO Nc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000364905435 307053468 /nfs/dbraw/zinc/05/34/68/307053468.db2.gz LVXJPPHNFUMHJX-SNVBAGLBSA-N 1 0 319.365 1.319 20 5 DDBDRO O=[N+]([O-])c1c(F)cccc1N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000368532951 307104624 /nfs/dbraw/zinc/10/46/24/307104624.db2.gz RWSOHNZUHNJRJM-OCCSQVGLSA-N 1 0 309.341 1.769 20 5 DDBDRO O=[N+]([O-])c1ccn(CCN2CCC[C@H](C[NH+]3CCCCC3)C2)n1 ZINC000371197474 307144510 /nfs/dbraw/zinc/14/45/10/307144510.db2.gz WYZVZWPVRPYVBD-OAHLLOKOSA-N 1 0 321.425 1.989 20 5 DDBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)CNc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000371555458 307153327 /nfs/dbraw/zinc/15/33/27/307153327.db2.gz UJOFSJKOXGIUOC-SWLSCSKDSA-N 1 0 318.377 1.559 20 5 DDBDRO O=[N+]([O-])c1cnn([C@@H]2CCCN(CC[NH+]3CCCCC3)C2)c1 ZINC000372284316 307167405 /nfs/dbraw/zinc/16/74/05/307167405.db2.gz YSYVJOMVSZYUKD-CQSZACIVSA-N 1 0 307.398 1.914 20 5 DDBDRO O=[N+]([O-])c1cc(F)ccc1N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000375778864 307230838 /nfs/dbraw/zinc/23/08/38/307230838.db2.gz UBJOGKGEBOELMI-HIFRSBDPSA-N 1 0 309.341 1.769 20 5 DDBDRO O=C(Nc1ccncc1[N+](=O)[O-])N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000376875149 307257532 /nfs/dbraw/zinc/25/75/32/307257532.db2.gz ILLOSPNNURBPIE-GHMZBOCLSA-N 1 0 305.338 1.160 20 5 DDBDRO C[N@@H+]1CC[C@H]2CCN(c3ccc4ncc([N+](=O)[O-])n4n3)[C@H]2C1 ZINC000378507649 307290635 /nfs/dbraw/zinc/29/06/35/307290635.db2.gz WPDYHAQXBHKEEU-QWRGUYRKSA-N 1 0 302.338 1.168 20 5 DDBDRO C[NH2+]CCCN(C)C(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000424017720 307301104 /nfs/dbraw/zinc/30/11/04/307301104.db2.gz HAHXMPJTSVCEBN-UHFFFAOYSA-N 1 0 309.322 1.063 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000517024694 307428001 /nfs/dbraw/zinc/42/80/01/307428001.db2.gz CVMLXPOGZHKCSU-RYUDHWBXSA-N 1 0 309.370 1.124 20 5 DDBDRO C[C@H]([NH3+])[C@H](C)NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000567110035 308071955 /nfs/dbraw/zinc/07/19/55/308071955.db2.gz NWJYPVTXGRKQNG-YUMQZZPRSA-N 1 0 304.306 1.314 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@@H]([NH3+])C[C@H]1C ZINC000569469379 308144980 /nfs/dbraw/zinc/14/49/80/308144980.db2.gz WNGLKKZFVCSOEP-VXGBXAGGSA-N 1 0 306.366 1.653 20 5 DDBDRO C[C@@H]1C[C@@H](C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000573199262 308233212 /nfs/dbraw/zinc/23/32/12/308233212.db2.gz RKQPCKDZEAAXFM-IPYPFGDCSA-N 1 0 324.377 1.739 20 5 DDBDRO O=C(CCn1cc([N+](=O)[O-])cn1)Nc1cccc2c1CC[NH2+]C2 ZINC000576627452 308328042 /nfs/dbraw/zinc/32/80/42/308328042.db2.gz RCWNAJHCPNCBBF-UHFFFAOYSA-N 1 0 315.333 1.466 20 5 DDBDRO O=C1CCCN1CC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000579016517 308501840 /nfs/dbraw/zinc/50/18/40/308501840.db2.gz RFBFEHDOOZZUFX-STQMWFEESA-N 1 0 321.381 1.487 20 5 DDBDRO C[NH+](C)Cc1ccccc1NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000579288671 308520316 /nfs/dbraw/zinc/52/03/16/308520316.db2.gz JNLJVXFNKSGTNT-UHFFFAOYSA-N 1 0 315.333 1.886 20 5 DDBDRO C[C@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)[NH+]1CCCC1 ZINC000388817856 325773185 /nfs/dbraw/zinc/77/31/85/325773185.db2.gz AWOWHPPJKRKKNH-SECBINFHSA-N 1 0 310.329 1.530 20 5 DDBDRO C[C@@H](C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CC(F)(F)F ZINC000396968669 337242693 /nfs/dbraw/zinc/24/26/93/337242693.db2.gz YLOJZKVPWVQLGN-SCZZXKLOSA-N 1 0 310.276 1.330 20 5 DDBDRO CC[NH2+]CCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000036299537 337352868 /nfs/dbraw/zinc/35/28/68/337352868.db2.gz JBWUVOGYSNJDPB-UHFFFAOYSA-N 1 0 301.368 1.181 20 5 DDBDRO COc1cc(C(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)c([N+](=O)[O-])cc1F ZINC000590767509 483927887 /nfs/dbraw/zinc/92/78/87/483927887.db2.gz ILGYEBQLIKQDOU-RNCFNFMXSA-N 1 0 323.324 1.519 20 5 DDBDRO O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)[C@@H]1C[C@@H]1[N+](=O)[O-] ZINC000374894932 483943689 /nfs/dbraw/zinc/94/36/89/483943689.db2.gz OEBYETRWWZLCHN-SYQHCUMBSA-N 1 0 307.325 1.053 20 5 DDBDRO C[C@H]1[C@H](CO)CC[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000488728634 484215297 /nfs/dbraw/zinc/21/52/97/484215297.db2.gz FLAAXYDCEIKKJP-JQWIXIFHSA-N 1 0 318.333 1.848 20 5 DDBDRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000418546139 534109107 /nfs/dbraw/zinc/10/91/07/534109107.db2.gz FDCRDCDEYSESPG-NHYWBVRUSA-N 1 0 318.377 1.803 20 5 DDBDRO C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000414666864 534147593 /nfs/dbraw/zinc/14/75/93/534147593.db2.gz WYBHRPPZINGZNI-JOYOIKCWSA-N 1 0 308.338 1.829 20 5 DDBDRO Cc1cccc(C(=O)NC[C@@H]2CCC[N@@H+]2CCCO)c1[N+](=O)[O-] ZINC000452345523 534606001 /nfs/dbraw/zinc/60/60/01/534606001.db2.gz FFOFPWADSJTUSW-ZDUSSCGKSA-N 1 0 321.377 1.480 20 5 DDBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000330871264 527835798 /nfs/dbraw/zinc/83/57/98/527835798.db2.gz XSUDTOOPBUQWDR-NSHDSACASA-N 1 0 321.381 1.376 20 5 DDBDRO CCC[C@H]([NH2+]C[C@H](O)Cn1ccnn1)c1cccc([N+](=O)[O-])c1 ZINC000414181886 528225244 /nfs/dbraw/zinc/22/52/44/528225244.db2.gz MMSHQBAUZLZFJM-GJZGRUSLSA-N 1 0 319.365 1.678 20 5 DDBDRO CCOc1cc(N2CC[N@H+](C[C@@H](C)O)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000302456816 528311637 /nfs/dbraw/zinc/31/16/37/528311637.db2.gz QPDDJNDBRQPHQA-CHWSQXEVSA-N 1 0 323.393 1.885 20 5 DDBDRO CCC[NH2+][C@@H](C)C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000449122866 528537721 /nfs/dbraw/zinc/53/77/21/528537721.db2.gz AQGQUGIRWBOITN-NWDGAFQWSA-N 1 0 321.381 1.391 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCC(C[NH3+])CC2)c1 ZINC000297289539 528610642 /nfs/dbraw/zinc/61/06/42/528610642.db2.gz UVIIIIRCTGRMKJ-UHFFFAOYSA-N 1 0 307.350 1.804 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000423754204 528693207 /nfs/dbraw/zinc/69/32/07/528693207.db2.gz ZCNDEMNDDSLARA-QWRGUYRKSA-N 1 0 307.350 1.851 20 5 DDBDRO CC(C)NC(=O)CC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447533068 529124966 /nfs/dbraw/zinc/12/49/66/529124966.db2.gz YROGHPWPXAVRPH-QWHCGFSZSA-N 1 0 323.397 1.779 20 5 DDBDRO CC[N@@H+]1CCCN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 ZINC000736569973 598628113 /nfs/dbraw/zinc/62/81/13/598628113.db2.gz LZZZOWAPNXMOPY-UHFFFAOYSA-N 1 0 317.353 1.307 20 5 DDBDRO CCCCNC(=O)[C@@H]1CC[C@H](C)N(Cn2nccc2[N+](=O)[O-])C1 ZINC000122591895 696723613 /nfs/dbraw/zinc/72/36/13/696723613.db2.gz QXUHNIGBYNJVIV-QWHCGFSZSA-N 1 0 323.397 1.766 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[C@@H](C[NH3+])C2)c1C ZINC000050246565 696229728 /nfs/dbraw/zinc/22/97/28/696229728.db2.gz GUDQDHXNTHEJCQ-NSHDSACASA-N 1 0 313.379 1.181 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000070120857 696387268 /nfs/dbraw/zinc/38/72/68/696387268.db2.gz HENXEZPWDWYKFE-LLVKDONJSA-N 1 0 313.379 1.324 20 5 DDBDRO C[C@@H]1C[C@H]([NH3+])CCN1S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000125115592 696749794 /nfs/dbraw/zinc/74/97/94/696749794.db2.gz RGOBUKKUXYOBHV-RKDXNWHRSA-N 1 0 317.342 1.234 20 5 DDBDRO Cc1c(C(=O)NC[C@@H]([NH3+])C2CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000137301875 696857884 /nfs/dbraw/zinc/85/78/84/696857884.db2.gz UPNOSNJJEACLBG-LLVKDONJSA-N 1 0 308.294 1.279 20 5 DDBDRO C[NH+](C)[C@@H]1Cc2ccccc2N(Cn2nccc2[N+](=O)[O-])C1 ZINC000158568133 696991887 /nfs/dbraw/zinc/99/18/87/696991887.db2.gz UYTKUUKAULNIJD-CYBMUJFWSA-N 1 0 301.350 1.742 20 5 DDBDRO CS[C@H](CO)[C@H](C)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000228366951 697774073 /nfs/dbraw/zinc/77/40/73/697774073.db2.gz KCQHQEFHDMJXOP-ZWKOPEQDSA-N 1 0 300.380 1.330 20 5 DDBDRO O=[N+]([O-])c1ccnn1CN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246411966 698349330 /nfs/dbraw/zinc/34/93/30/698349330.db2.gz QSWSDVLYGBYIRR-JSGCOSHPSA-N 1 0 305.382 1.698 20 5 DDBDRO C[C@H]1CCC[N@@H+]1CCNS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000780867223 698565522 /nfs/dbraw/zinc/56/55/22/698565522.db2.gz NIYIPRMQGAXSKH-VIFPVBQESA-N 1 0 319.408 1.419 20 5 DDBDRO C[N@@H+]1CCCC[C@H]1CCOC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000781666837 698638065 /nfs/dbraw/zinc/63/80/65/698638065.db2.gz WZZYXWPSZPSSDE-JTQLQIEISA-N 1 0 308.338 1.603 20 5 DDBDRO C[C@@H]1CC[C@@H]1[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000783223699 698821094 /nfs/dbraw/zinc/82/10/94/698821094.db2.gz LENNAHKSKZKHNW-MFKMUULPSA-N 1 0 313.379 1.261 20 5 DDBDRO CC(C)C[N@@H+]1CCO[C@@H](CNc2ccc(N)cc2[N+](=O)[O-])C1 ZINC000786574201 699155462 /nfs/dbraw/zinc/15/54/62/699155462.db2.gz LOQKEAGAEWTPPH-ZDUSSCGKSA-N 1 0 308.382 1.946 20 5 DDBDRO [NH3+]C[C@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(F)(F)F ZINC000700608484 699221912 /nfs/dbraw/zinc/22/19/12/699221912.db2.gz ITLSICLVLUYHNV-QMMMGPOBSA-N 1 0 311.647 1.868 20 5 DDBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H](CO)[C@@H]2CCOC2)cc1Cl ZINC000796009262 699906631 /nfs/dbraw/zinc/90/66/31/699906631.db2.gz RTHFVWJGVQFCME-VXGBXAGGSA-N 1 0 314.769 1.983 20 5 DDBDRO CC(C)[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1nncn1C ZINC000796185090 699918223 /nfs/dbraw/zinc/91/82/23/699918223.db2.gz GCXOJIQGVOAQGQ-KBPBESRZSA-N 1 0 319.365 1.744 20 5 DDBDRO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000801840421 700344844 /nfs/dbraw/zinc/34/48/44/700344844.db2.gz MSQAANSBTJCDLO-MRVPVSSYSA-N 1 0 308.313 1.283 20 5 DDBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000801857540 700347156 /nfs/dbraw/zinc/34/71/56/700347156.db2.gz FIPXPVRLJVALTE-JTQLQIEISA-N 1 0 324.356 1.778 20 5 DDBDRO C[N@H+](C1CCCC1)C(C)(C)C(=O)OCCn1ccc([N+](=O)[O-])n1 ZINC000754878772 700535677 /nfs/dbraw/zinc/53/56/77/700535677.db2.gz MYHRJRJRFRZOMQ-UHFFFAOYSA-N 1 0 324.381 1.988 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](CO)C1CC1 ZINC000771815524 701332826 /nfs/dbraw/zinc/33/28/26/701332826.db2.gz VYHGKSSKLOUEMS-ZDUSSCGKSA-N 1 0 323.349 1.293 20 5 DDBDRO NC(=O)C[C@H]1CC[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000808228583 701509428 /nfs/dbraw/zinc/50/94/28/701509428.db2.gz VAHXTMRUEOABJW-SNVBAGLBSA-N 1 0 303.322 1.099 20 5 DDBDRO COC(=O)[C@@]1(C)CCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000839665961 701772327 /nfs/dbraw/zinc/77/23/27/701772327.db2.gz JJUMYRBMWKJWQP-ZBFHGGJFSA-N 1 0 322.361 1.903 20 5 DDBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839724437 701798235 /nfs/dbraw/zinc/79/82/35/701798235.db2.gz IDLDZDDNNXPULU-NMFUWQPSSA-N 1 0 303.362 1.288 20 5 DDBDRO CC(C)COC[C@@H](O)C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815564323 701897673 /nfs/dbraw/zinc/89/76/73/701897673.db2.gz FWTFINRNWLQRFJ-AAEUAGOBSA-N 1 0 311.382 1.861 20 5 DDBDRO COCCC1(NC(=O)c2cc(C)ccc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000868041449 701907422 /nfs/dbraw/zinc/90/74/22/701907422.db2.gz XJJMCQPZIORJOC-UHFFFAOYSA-N 1 0 321.377 1.792 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3cccc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC000812342133 702165234 /nfs/dbraw/zinc/16/52/34/702165234.db2.gz JDXBJOMKNSAKGP-KGLIPLIRSA-N 1 0 303.362 1.547 20 5 DDBDRO CCS(=O)(=O)CCC[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000840889139 702272204 /nfs/dbraw/zinc/27/22/04/702272204.db2.gz OVXIRNQQDASSCC-SNVBAGLBSA-N 1 0 315.395 1.652 20 5 DDBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H](O)c1cnn(C)c1 ZINC000866274272 706662640 /nfs/dbraw/zinc/66/26/40/706662640.db2.gz YXFUMPRYXVHJOC-MEBBXXQBSA-N 1 0 322.340 1.722 20 5 DDBDRO C[C@@H](CC[NH3+])NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000841967662 702639522 /nfs/dbraw/zinc/63/95/22/702639522.db2.gz PTBOXGSSZUKZEH-LBPRGKRZSA-N 1 0 321.381 1.164 20 5 DDBDRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000842163528 702678939 /nfs/dbraw/zinc/67/89/39/702678939.db2.gz PEVFRQXIONNIRI-RYUDHWBXSA-N 1 0 311.357 1.621 20 5 DDBDRO CSC[C@H](CCO)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000843082131 702815491 /nfs/dbraw/zinc/81/54/91/702815491.db2.gz AMOMPPLTPZAVAU-AAEUAGOBSA-N 1 0 300.380 1.332 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@]2(CCO)CCOC2)cc1 ZINC000843102297 702819262 /nfs/dbraw/zinc/81/92/62/702819262.db2.gz VUOZYJMYGYITCA-GJZGRUSLSA-N 1 0 310.350 1.007 20 5 DDBDRO CC[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@H](O)C(F)F ZINC000843114569 702822007 /nfs/dbraw/zinc/82/20/07/702822007.db2.gz KWFPNWHYNIERHJ-TUAOUCFPSA-N 1 0 304.293 1.622 20 5 DDBDRO Cc1nn(C)c(C(=O)NCc2ccc(CC[NH3+])cc2)c1[N+](=O)[O-] ZINC000843326158 702859746 /nfs/dbraw/zinc/85/97/46/702859746.db2.gz CXGBKXWGDCCRBY-UHFFFAOYSA-N 1 0 317.349 1.068 20 5 DDBDRO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(C)CCC[NH3+] ZINC000843350964 702864423 /nfs/dbraw/zinc/86/44/23/702864423.db2.gz CDJQKCNAESHERN-VIFPVBQESA-N 1 0 314.773 1.856 20 5 DDBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)C[C@@H]1C[NH2+]CCO1)CC2 ZINC000843492902 702892680 /nfs/dbraw/zinc/89/26/80/702892680.db2.gz AFAOZOXZEQLZIO-GFCCVEGCSA-N 1 0 305.334 1.171 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H]2CCCC[C@H]2[NH3+])cc1[N+](=O)[O-] ZINC000843505960 702896830 /nfs/dbraw/zinc/89/68/30/702896830.db2.gz KRQBRTQZKVVJIA-GHMZBOCLSA-N 1 0 322.321 1.811 20 5 DDBDRO COC1(C(=O)N2CCc3cc(C)c([N+](=O)[O-])cc32)CC[NH2+]CC1 ZINC000844160969 702980219 /nfs/dbraw/zinc/98/02/19/702980219.db2.gz PTDOZZPYPRFZQA-UHFFFAOYSA-N 1 0 319.361 1.561 20 5 DDBDRO Cc1c(C(=O)NCC2([NH3+])CCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000831550028 706729834 /nfs/dbraw/zinc/72/98/34/706729834.db2.gz RFLYNFFTWARFTG-UHFFFAOYSA-N 1 0 308.294 1.423 20 5 DDBDRO O=[N+]([O-])c1ccc(Cl)c(CN2CC([N@@H+]3CC[C@@H](O)C3)C2)c1 ZINC000846067716 703233610 /nfs/dbraw/zinc/23/36/10/703233610.db2.gz JGLJGAKWPIDXMD-CYBMUJFWSA-N 1 0 311.769 1.499 20 5 DDBDRO Cc1ccc(CNC(=[NH2+])NCCn2cc([N+](=O)[O-])cn2)cc1 ZINC000849014075 703610850 /nfs/dbraw/zinc/61/08/50/703610850.db2.gz YHWBKZRHZMOFCE-UHFFFAOYSA-N 1 0 302.338 1.414 20 5 DDBDRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000869786031 703853225 /nfs/dbraw/zinc/85/32/25/703853225.db2.gz OGWPPTMUKKANKC-ZDUSSCGKSA-N 1 0 321.377 1.099 20 5 DDBDRO C[C@@](C[NH3+])(NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000818555079 703924944 /nfs/dbraw/zinc/92/49/44/703924944.db2.gz YCTKBIHUHRTIBX-HNNXBMFYSA-N 1 0 317.349 1.188 20 5 DDBDRO CCC(=O)N1CC[C@@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000819163952 704079096 /nfs/dbraw/zinc/07/90/96/704079096.db2.gz OGKQTZKFAADZTO-TZMCWYRMSA-N 1 0 307.350 1.229 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[NH2+]C[C@@H](O)c2ccc(F)cc2F)c1 ZINC000819177851 704082156 /nfs/dbraw/zinc/08/21/56/704082156.db2.gz XGMCLVWVCDGJLC-CYBMUJFWSA-N 1 0 312.276 1.393 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[NH2+]C[C@H](O)c2ccc(Cl)cc2)c1 ZINC000819178186 704082220 /nfs/dbraw/zinc/08/22/20/704082220.db2.gz ZUWQYHUKFRADBR-ZDUSSCGKSA-N 1 0 310.741 1.768 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H]2CCO[C@@]3(CCOC3)C2)cc1 ZINC000819203167 704085678 /nfs/dbraw/zinc/08/56/78/704085678.db2.gz GSNQNEPUNBWFOE-IMJJTQAJSA-N 1 0 322.361 1.556 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@@H]2COC3(CCCC3)O2)c1 ZINC000819204641 704086101 /nfs/dbraw/zinc/08/61/01/704086101.db2.gz FAMLYCOZJMSIIQ-HUUCEWRRSA-N 1 0 322.361 1.904 20 5 DDBDRO COC(=O)NC1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000852770665 704120258 /nfs/dbraw/zinc/12/02/58/704120258.db2.gz WTEUKEQBOGVMJV-UHFFFAOYSA-N 1 0 323.349 1.794 20 5 DDBDRO O=C(CC[NH2+]CC1CC1)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000870864317 704149029 /nfs/dbraw/zinc/14/90/29/704149029.db2.gz HDYSXQYBDNZWTG-UHFFFAOYSA-N 1 0 306.366 1.513 20 5 DDBDRO COC[C@@H]1CCCN1Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853500389 704251560 /nfs/dbraw/zinc/25/15/60/704251560.db2.gz JNOASLJTOYDDEE-LBPRGKRZSA-N 1 0 317.349 1.922 20 5 DDBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](CO)C[NH+](C)C ZINC000854465638 704402033 /nfs/dbraw/zinc/40/20/33/704402033.db2.gz RYRHXYFXJGLKNV-YKWSONSWSA-N 1 0 307.350 1.037 20 5 DDBDRO C[NH+](C)C1CCC2(CC1)CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC2 ZINC000854675902 704438219 /nfs/dbraw/zinc/43/82/19/704438219.db2.gz UYVSAHCHBFTVQP-ZIAGYGMSSA-N 1 0 309.410 1.765 20 5 DDBDRO CC[NH2+]CCCNC(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857763040 704621650 /nfs/dbraw/zinc/62/16/50/704621650.db2.gz MTTREQJPKVWSEH-UHFFFAOYSA-N 1 0 317.292 1.682 20 5 DDBDRO C[C@@H](C[NH3+])N(C)C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857765415 704622325 /nfs/dbraw/zinc/62/23/25/704622325.db2.gz QKPSGCPQPIVHCZ-QMMMGPOBSA-N 1 0 303.265 1.372 20 5 DDBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857767719 704622650 /nfs/dbraw/zinc/62/26/50/704622650.db2.gz GTEFLOAFKUIWDX-DTWKUNHWSA-N 1 0 317.292 1.808 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CC3CC(O)C3)CC2)cc1 ZINC000858544222 704724955 /nfs/dbraw/zinc/72/49/55/704724955.db2.gz SEPVNNMPLOJFIZ-UHFFFAOYSA-N 1 0 305.378 1.924 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N(C)C[C@H](C)[NH3+])c1 ZINC000858640044 704738308 /nfs/dbraw/zinc/73/83/08/704738308.db2.gz MEQZNRPXYVVIAV-VIFPVBQESA-N 1 0 301.368 1.179 20 5 DDBDRO C[C@@H]1[NH2+]CC[C@H]1NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000858642423 704738916 /nfs/dbraw/zinc/73/89/16/704738916.db2.gz IUQTXTCCHIGXEZ-IONNQARKSA-N 1 0 319.770 1.277 20 5 DDBDRO O=[N+]([O-])c1ccc2nc(NCC[N@H+]3CC[C@@H](O)C3)sc2c1 ZINC000858812849 704760810 /nfs/dbraw/zinc/76/08/10/704760810.db2.gz VNGOJRMPHUPKGD-SNVBAGLBSA-N 1 0 308.363 1.683 20 5 DDBDRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000874843458 705198497 /nfs/dbraw/zinc/19/84/97/705198497.db2.gz NMZLDTOULMOHFI-HUUCEWRRSA-N 1 0 318.377 1.702 20 5 DDBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)C[C@@](C)(O)c1ccccc1 ZINC000823592243 705275106 /nfs/dbraw/zinc/27/51/06/705275106.db2.gz QLZAVHRHJOJNME-OAHLLOKOSA-N 1 0 304.350 1.631 20 5 DDBDRO Cc1cc(C(=O)N[C@H](CC[NH3+])C(F)(F)F)c(N)c([N+](=O)[O-])c1 ZINC000825207174 705625050 /nfs/dbraw/zinc/62/50/50/705625050.db2.gz FVIZNHUKTPNZMZ-SECBINFHSA-N 1 0 320.271 1.495 20 5 DDBDRO CC1(C)[NH2+]CC[C@H]1NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000825256573 705634357 /nfs/dbraw/zinc/63/43/57/705634357.db2.gz BBWBLMSSPBTYTC-CYBMUJFWSA-N 1 0 317.349 1.201 20 5 DDBDRO CC[NH+](CC)C[C@H](C)NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825891233 705742125 /nfs/dbraw/zinc/74/21/25/705742125.db2.gz HPOKNVXIUWYJTR-SMDDNHRTSA-N 1 0 309.366 1.475 20 5 DDBDRO O=C(NCCNc1ccccc1[N+](=O)[O-])[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876563643 705759850 /nfs/dbraw/zinc/75/98/50/705759850.db2.gz KUGDSAXRBMECDY-GWCFXTLKSA-N 1 0 310.329 1.071 20 5 DDBDRO Cc1nccn1C[C@H](C)C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000876916671 705922567 /nfs/dbraw/zinc/92/25/67/705922567.db2.gz XVTHBLQUPOSMHX-LMWSTFAQSA-N 1 0 318.381 1.926 20 5 DDBDRO C[N@@H+]1CC[C@H]2CN(C(=O)c3cc([N+](=O)[O-])c(F)cc3N)CC[C@@H]21 ZINC000827269715 705964755 /nfs/dbraw/zinc/96/47/55/705964755.db2.gz ZCDXABHKJXFDJJ-ZANVPECISA-N 1 0 322.340 1.482 20 5 DDBDRO CNc1c(C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)cccc1[N+](=O)[O-] ZINC000827278609 705967173 /nfs/dbraw/zinc/96/71/73/705967173.db2.gz XLANGEAKKQFEIA-AAEUAGOBSA-N 1 0 318.377 1.803 20 5 DDBDRO C[C@H]([NH3+])CN(C)C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000877101987 705984155 /nfs/dbraw/zinc/98/41/55/705984155.db2.gz WJYITAILENARNJ-ZETCQYMHSA-N 1 0 316.155 1.777 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000827363735 705985264 /nfs/dbraw/zinc/98/52/64/705985264.db2.gz CABPIJKYHGOBSC-RISCZKNCSA-N 1 0 319.361 1.770 20 5 DDBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000863833492 706024470 /nfs/dbraw/zinc/02/44/70/706024470.db2.gz QBMUFEZIHUGANZ-PABFRNLHSA-N 1 0 319.361 1.181 20 5 DDBDRO [NH3+]C[C@@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)C[C@H]1C(F)(F)F ZINC000877369820 706083358 /nfs/dbraw/zinc/08/33/58/706083358.db2.gz OGHGBXWOEZLHOO-HTQZYQBOSA-N 1 0 323.296 1.866 20 5 DDBDRO COc1cc(C(=O)N[C@]23CCC[C@H]2[NH2+]CC3)ccc1[N+](=O)[O-] ZINC000877400711 706096714 /nfs/dbraw/zinc/09/67/14/706096714.db2.gz YGBQOIQCNMPIKY-HIFRSBDPSA-N 1 0 305.334 1.618 20 5 DDBDRO O=C1O[C@@H](C[NH2+]CCc2ccc([N+](=O)[O-])cc2)CN1C1CC1 ZINC000877621751 706162173 /nfs/dbraw/zinc/16/21/73/706162173.db2.gz WAESZTCRIDYERF-AWEZNQCLSA-N 1 0 305.334 1.710 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1CN1CCO[C@@H](CC(N)=O)C1 ZINC000877657470 706172908 /nfs/dbraw/zinc/17/29/08/706172908.db2.gz DGBGMNICJMRXQH-LBPRGKRZSA-N 1 0 307.350 1.288 20 5 DDBDRO Cn1cc(C[N@@H+]2CCCCCCNC(=O)CC2)c([N+](=O)[O-])n1 ZINC000877685314 706178760 /nfs/dbraw/zinc/17/87/60/706178760.db2.gz UOTPPYVJYNZDMR-UHFFFAOYSA-N 1 0 309.370 1.211 20 5 DDBDRO C[NH+](C)[C@H]1CCCN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])C1 ZINC000865129463 706358783 /nfs/dbraw/zinc/35/87/83/706358783.db2.gz DZNXRIUOXNPHBH-LBPRGKRZSA-N 1 0 309.341 1.829 20 5 DDBDRO Cc1c(C[NH+]2CCC([C@@H](F)C(N)=O)CC2)cccc1[N+](=O)[O-] ZINC000879048563 706573156 /nfs/dbraw/zinc/57/31/56/706573156.db2.gz WJLLYHWKBFNHKL-CQSZACIVSA-N 1 0 309.341 1.939 20 5 DDBDRO C[C@H]1CN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CC[C@@H]1[NH3+] ZINC000832736745 706972539 /nfs/dbraw/zinc/97/25/39/706972539.db2.gz BDGDIMJOQJDPLC-GWCFXTLKSA-N 1 0 317.349 1.140 20 5 DDBDRO CC[N@H+]1[C@H](C)CN(C(=O)c2cccc([N+](=O)[O-])c2N)C[C@@H]1C ZINC000880608422 707038575 /nfs/dbraw/zinc/03/85/75/707038575.db2.gz AZQDUAYRUHSVEZ-PHIMTYICSA-N 1 0 306.366 1.732 20 5 DDBDRO CC1([NH3+])CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000834594872 707091567 /nfs/dbraw/zinc/09/15/67/707091567.db2.gz WHLBBDSZPHMMBV-UHFFFAOYSA-N 1 0 308.294 1.456 20 5 DDBDRO CC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000834640629 707097421 /nfs/dbraw/zinc/09/74/21/707097421.db2.gz AFTRTEYTOXUBLX-ZANVPECISA-N 1 0 322.321 1.702 20 5 DDBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC1(CO)COC1 ZINC000872050859 707285711 /nfs/dbraw/zinc/28/57/11/707285711.db2.gz CZFSIZGZPHYZQG-JTQLQIEISA-N 1 0 312.391 1.976 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872149399 707303096 /nfs/dbraw/zinc/30/30/96/707303096.db2.gz MZVHVQROCCYGKQ-BLLLJJGKSA-N 1 0 318.377 1.383 20 5 DDBDRO COC(C)(C)CC[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000872226736 707338067 /nfs/dbraw/zinc/33/80/67/707338067.db2.gz UDSLXKXRDYPCQM-LBPRGKRZSA-N 1 0 312.366 1.739 20 5 DDBDRO C[N@H+](CCOC(=O)Cn1ccc([N+](=O)[O-])n1)Cc1ccccc1 ZINC000837446498 707650823 /nfs/dbraw/zinc/65/08/23/707650823.db2.gz OCTDQOOFEUHHLO-UHFFFAOYSA-N 1 0 318.333 1.467 20 5 DDBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000882481047 707651281 /nfs/dbraw/zinc/65/12/81/707651281.db2.gz DGMKUKZYXRHYAG-GFCCVEGCSA-N 1 0 309.391 1.897 20 5 DDBDRO O=[N+]([O-])c1c(F)nccc1N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000882550276 707690863 /nfs/dbraw/zinc/69/08/63/707690863.db2.gz UBNHLIUOBNYDLI-LBPRGKRZSA-N 1 0 324.356 1.820 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC(=O)NCC(F)F ZINC000873119273 707738125 /nfs/dbraw/zinc/73/81/25/707738125.db2.gz FKGRRAPIWRZDRR-UHFFFAOYSA-N 1 0 301.293 1.683 20 5 DDBDRO O=[N+]([O-])c1c(F)nccc1N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000882728057 707763127 /nfs/dbraw/zinc/76/31/27/707763127.db2.gz MYOCLJGYPHSGQS-GFCCVEGCSA-N 1 0 324.356 1.866 20 5 DDBDRO C[N@@H+]1CCC[C@H](CCNC(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000838137345 707851074 /nfs/dbraw/zinc/85/10/74/707851074.db2.gz QOWQCNNLWYXGAI-LLVKDONJSA-N 1 0 306.366 1.639 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)n1 ZINC000896913893 708180862 /nfs/dbraw/zinc/18/08/62/708180862.db2.gz XFFHUQSBMHDZPD-ZUZCIYMTSA-N 1 0 320.349 1.164 20 5 DDBDRO O=[N+]([O-])c1cnc(N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)c(F)c1 ZINC000897216828 708256126 /nfs/dbraw/zinc/25/61/26/708256126.db2.gz VTKMGRUDZGWOLA-CHWSQXEVSA-N 1 0 310.329 1.164 20 5 DDBDRO COC(=O)[C@]12CCC[C@H]1C[N@H+](Cc1cccnc1[N+](=O)[O-])C2 ZINC000886316801 708741329 /nfs/dbraw/zinc/74/13/29/708741329.db2.gz NIOQCWOUTLZSHC-WFASDCNBSA-N 1 0 305.334 1.765 20 5 DDBDRO O=[N+]([O-])c1cc(C[N@@H+]2C[C@@H]3[C@H](O)CC[C@@H]3C2)c2c(c1)COCO2 ZINC000886581634 708781390 /nfs/dbraw/zinc/78/13/90/708781390.db2.gz GSJRKLHXOVSRQX-WKPIXPDZSA-N 1 0 320.345 1.664 20 5 DDBDRO C[C@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)c1c([N+](=O)[O-])cnn1C ZINC000912650103 713060587 /nfs/dbraw/zinc/06/05/87/713060587.db2.gz HYKLMPWQUNMTQT-NWDGAFQWSA-N 1 0 323.397 1.663 20 5 DDBDRO C[NH+]1CCC2(CCN2C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000899910415 709234374 /nfs/dbraw/zinc/23/43/74/709234374.db2.gz KFOGHXPGNZQHLF-HNNXBMFYSA-N 1 0 305.378 1.798 20 5 DDBDRO C[C@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000912813474 713098846 /nfs/dbraw/zinc/09/88/46/713098846.db2.gz KOQGYJVXSIIJNE-CHWSQXEVSA-N 1 0 323.397 1.370 20 5 DDBDRO O=C(Cc1cccc(F)c1[N+](=O)[O-])N1CC[C@H]([NH+]2CCC2)C1 ZINC000912901525 713118070 /nfs/dbraw/zinc/11/80/70/713118070.db2.gz DZBAJCSYGKLFGW-LBPRGKRZSA-N 1 0 307.325 1.583 20 5 DDBDRO O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912910009 713121158 /nfs/dbraw/zinc/12/11/58/713121158.db2.gz BKDQTCMNTJJPGH-LLVKDONJSA-N 1 0 319.317 1.244 20 5 DDBDRO CC[N@@H+]1CCCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000910285166 709866267 /nfs/dbraw/zinc/86/62/67/709866267.db2.gz RAXXGUCSOSSIEO-LBPRGKRZSA-N 1 0 323.397 1.469 20 5 DDBDRO CC[N@@H+]1CCCN(C(=O)CCn2cc([N+](=O)[O-])nc2C)[C@H](C)C1 ZINC000910285950 709866966 /nfs/dbraw/zinc/86/69/66/709866966.db2.gz DKELSMJLLSQJRV-GFCCVEGCSA-N 1 0 323.397 1.433 20 5 DDBDRO Cc1c(CNC(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)cccc1[N+](=O)[O-] ZINC000891850012 710308901 /nfs/dbraw/zinc/30/89/01/710308901.db2.gz WUQVBYXZYGLGFJ-ZFWWWQNUSA-N 1 0 318.377 1.939 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@]1(C)C[NH+]2CCC1CC2 ZINC000892796690 710501459 /nfs/dbraw/zinc/50/14/59/710501459.db2.gz JDLKFPVFGKSKKR-HNNXBMFYSA-N 1 0 304.350 1.512 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1N1CCC(OCCC[NH+](C)C)CC1 ZINC000892816349 710506198 /nfs/dbraw/zinc/50/61/98/710506198.db2.gz SKJNCPCKMHECLP-UHFFFAOYSA-N 1 0 311.386 1.265 20 5 DDBDRO CC1(C)C[NH2+]CCN1C(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000911849087 711030804 /nfs/dbraw/zinc/03/08/04/711030804.db2.gz YZFXIJZCIRNNQJ-UONOGXRCSA-N 1 0 303.362 1.909 20 5 DDBDRO COc1cc([C@H](C)[NH2+][C@@H](C)[C@@H]2CN(C)CCO2)cc([N+](=O)[O-])c1 ZINC000903125515 711040587 /nfs/dbraw/zinc/04/05/87/711040587.db2.gz MTGSMMQRYZPQPD-MKBNYLNASA-N 1 0 323.393 1.973 20 5 DDBDRO C[NH2+]C1CC(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000911973981 711098547 /nfs/dbraw/zinc/09/85/47/711098547.db2.gz QXMIABMCSJCPPL-UHFFFAOYSA-N 1 0 318.377 1.241 20 5 DDBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1COC[C@@H]1C ZINC000903400092 711114389 /nfs/dbraw/zinc/11/43/89/711114389.db2.gz MIDYNSQXEWVTBM-WDMOLILDSA-N 1 0 307.350 1.936 20 5 DDBDRO C[NH2+]C[C@@H]1CCCCN1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000903530293 711172950 /nfs/dbraw/zinc/17/29/50/711172950.db2.gz WQWPKPMYGKODAI-AWEZNQCLSA-N 1 0 320.393 1.916 20 5 DDBDRO COCC[C@@H]1C[NH2+]CCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000903836982 711297174 /nfs/dbraw/zinc/29/71/74/711297174.db2.gz YVWQUGACEXEXKP-CQSZACIVSA-N 1 0 309.366 1.284 20 5 DDBDRO COCC[C@H]1C[NH2+]CCN1C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000904273237 711422159 /nfs/dbraw/zinc/42/21/59/711422159.db2.gz WRZSAZKFXAVDPY-ZDUSSCGKSA-N 1 0 322.365 1.745 20 5 DDBDRO C[C@@H]1CN(c2c([N+](=O)[O-])cnn2C)CCN1c1cc[nH+]cc1 ZINC000895138112 711429667 /nfs/dbraw/zinc/42/96/67/711429667.db2.gz VCAVBNMODZOSIH-LLVKDONJSA-N 1 0 302.338 1.438 20 5 DDBDRO C[C@@H](CCNCc1cc2c(cc1[N+](=O)[O-])OCCO2)[NH+](C)C ZINC000895297402 711478727 /nfs/dbraw/zinc/47/87/27/711478727.db2.gz LRKBUBQBHNQGRM-NSHDSACASA-N 1 0 309.366 1.796 20 5 DDBDRO COC[C@@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)[C@H]1CCCOC1 ZINC000895859344 711627761 /nfs/dbraw/zinc/62/77/61/711627761.db2.gz PWLXCWOVHALEOZ-LFUGVXIPSA-N 1 0 324.381 1.526 20 5 DDBDRO CCO[C@@H](CNc1c(Cl)cncc1[N+](=O)[O-])C[NH+](C)C ZINC000896114576 711678130 /nfs/dbraw/zinc/67/81/30/711678130.db2.gz AKKMMGNJRGWGRB-VIFPVBQESA-N 1 0 302.762 1.444 20 5 DDBDRO CO[C@H]1C[C@H](C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000905421916 712033993 /nfs/dbraw/zinc/03/39/93/712033993.db2.gz FGVBHVUZLMCXSM-AVGNSLFASA-N 1 0 310.350 1.349 20 5 DDBDRO O=C(NC[C@@H]1CCC[NH2+]C1)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000906633977 712374669 /nfs/dbraw/zinc/37/46/69/712374669.db2.gz MTLPWYKIPWZGGB-UGFHNGPFSA-N 1 0 303.362 1.814 20 5 DDBDRO C[NH+]1CCC(NC(=S)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000921271831 713726709 /nfs/dbraw/zinc/72/67/09/713726709.db2.gz MVCKGRVYJNVNAT-UHFFFAOYSA-N 1 0 308.407 1.653 20 5 DDBDRO CCOc1ccccc1CN1CCN(CC[N+](=O)[O-])[C@@H](C)C1 ZINC000930321996 713803017 /nfs/dbraw/zinc/80/30/17/713803017.db2.gz BUABQDDBRBKQQY-AWEZNQCLSA-N 1 0 307.394 1.868 20 5 DDBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H]2CCN2C2CCOCC2)c1 ZINC000922951624 714196124 /nfs/dbraw/zinc/19/61/24/714196124.db2.gz PYPULANVHDVEGZ-INIZCTEOSA-N 1 0 305.378 1.938 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000923269446 714291630 /nfs/dbraw/zinc/29/16/30/714291630.db2.gz MNOWYAJFEISNCS-YPMHNXCESA-N 1 0 319.361 1.912 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CC[C@@]2(CC[NH2+]C2)C1 ZINC000923331249 714317469 /nfs/dbraw/zinc/31/74/69/714317469.db2.gz FFFHOWRLNVERBK-XJKSGUPXSA-N 1 0 321.377 1.020 20 5 DDBDRO CN(Cc1cc([N+](=O)[O-])ccc1Br)C1C[NH2+]C1 ZINC000923356927 714325947 /nfs/dbraw/zinc/32/59/47/714325947.db2.gz QRYORONBSXLMKR-UHFFFAOYSA-N 1 0 300.156 1.761 20 5 DDBDRO C[C@H]1COC[C@H]1[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000932493415 714345731 /nfs/dbraw/zinc/34/57/31/714345731.db2.gz FYFRRPOIRYJCHB-GXFFZTMASA-N 1 0 305.334 1.108 20 5 DDBDRO [NH3+]C[C@H]1CC2(CO1)CCN(Cc1csc([N+](=O)[O-])c1)CC2 ZINC000923448887 714359624 /nfs/dbraw/zinc/35/96/24/714359624.db2.gz HTZMJRSKYLTZGC-GFCCVEGCSA-N 1 0 311.407 1.986 20 5 DDBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923521983 714389472 /nfs/dbraw/zinc/38/94/72/714389472.db2.gz ZPVPKXKUNUUOCX-RWMBFGLXSA-N 1 0 318.377 1.463 20 5 DDBDRO COC(=O)[C@@H]1CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000933170682 714526942 /nfs/dbraw/zinc/52/69/42/714526942.db2.gz KNCKQGHXJQPFLT-UXIGCNINSA-N 1 0 322.361 1.902 20 5 DDBDRO Cn1cc(C[NH2+][C@@](C)(CO)Cc2ccc(F)cc2)c([N+](=O)[O-])n1 ZINC000933443987 714591059 /nfs/dbraw/zinc/59/10/59/714591059.db2.gz JETRAYXDBFVYCO-OAHLLOKOSA-N 1 0 322.340 1.551 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000933623412 714633370 /nfs/dbraw/zinc/63/33/70/714633370.db2.gz QSOHSNUOASNRCI-CYBMUJFWSA-N 1 0 323.397 1.433 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1CN1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933731805 714657807 /nfs/dbraw/zinc/65/78/07/714657807.db2.gz HHBHDEVBQLLIBA-XJKSGUPXSA-N 1 0 305.378 1.987 20 5 DDBDRO CN1CCN(CCc2ccc([N+](=O)[O-])cc2)CC[N@H+](C)CC1 ZINC000933995590 714718187 /nfs/dbraw/zinc/71/81/87/714718187.db2.gz FIGWZQPGPMDDCT-UHFFFAOYSA-N 1 0 306.410 1.317 20 5 DDBDRO O=C1CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCCCCN1 ZINC000934155738 714756279 /nfs/dbraw/zinc/75/62/79/714756279.db2.gz SQPKTTREOUERDI-OAHLLOKOSA-N 1 0 321.377 1.620 20 5 DDBDRO O=[N+]([O-])c1ccccc1CN1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000934252388 714774718 /nfs/dbraw/zinc/77/47/18/714774718.db2.gz MOODQSACGBAKRJ-HOTGVXAUSA-N 1 0 305.378 1.626 20 5 DDBDRO O=[N+]([O-])c1cc(CN2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)cs1 ZINC000934258099 714777716 /nfs/dbraw/zinc/77/77/16/714777716.db2.gz PWLFCIIGQNUBOP-STQMWFEESA-N 1 0 311.407 1.687 20 5 DDBDRO Cc1ccnc(N2CC[C@@H]3[C@@H]2CCN3CC[NH+](C)C)c1[N+](=O)[O-] ZINC001164928550 721854368 /nfs/dbraw/zinc/85/43/68/721854368.db2.gz OFDFHGNKIGDNSP-KGLIPLIRSA-N 1 0 319.409 1.513 20 5 DDBDRO Cc1nc(Cl)c([N+](=O)[O-])c(-n2ccnc2[C@@H]2CCC[NH2+]C2)n1 ZINC001167056479 732363190 /nfs/dbraw/zinc/36/31/90/732363190.db2.gz NKSXEUNNMAHTIO-SECBINFHSA-N 1 0 322.756 1.999 20 5 DDBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1)c1cnon1 ZINC001022871404 734844518 /nfs/dbraw/zinc/84/45/18/734844518.db2.gz RCLJYWFVIOYHOB-DTORHVGOSA-N 1 0 323.334 1.090 20 5 DDBDRO Cc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c(C)c1 ZINC001020140114 736999209 /nfs/dbraw/zinc/99/92/09/736999209.db2.gz ZGANVFSRBYMGAX-KLHDSHLOSA-N 1 0 317.389 1.705 20 5 DDBDRO O=C1C[C@H](CC[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CN1 ZINC001183709587 743891035 /nfs/dbraw/zinc/89/10/35/743891035.db2.gz PNDUNHOGXCZLAL-VIFPVBQESA-N 1 0 304.306 1.352 20 5 DDBDRO O=C(NCC1CN(Cc2cccc([N+](=O)[O-])c2)C1)C1CCC1 ZINC001031511144 746922881 /nfs/dbraw/zinc/92/28/81/746922881.db2.gz XLVRWFVBKHODLP-UHFFFAOYSA-N 1 0 303.362 1.943 20 5 DDBDRO [NH3+]CCc1nc(-c2ccccc2)nn1-c1nccnc1[N+](=O)[O-] ZINC001168706537 747112577 /nfs/dbraw/zinc/11/25/77/747112577.db2.gz HLYOFSLMORFEPS-UHFFFAOYSA-N 1 0 311.305 1.134 20 5 DDBDRO C[C@H]([NH2+]C[C@H](O)C1(O)CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC001197661594 747225850 /nfs/dbraw/zinc/22/58/50/747225850.db2.gz XCWDDHHXGRIVQV-FZMZJTMJSA-N 1 0 310.350 1.148 20 5 DDBDRO Cc1cccnc1[C@@H](C)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001198642328 747559991 /nfs/dbraw/zinc/55/99/91/747559991.db2.gz YVQMTKSCFULRJN-YPMHNXCESA-N 1 0 305.338 1.206 20 5 DDBDRO CC(C)OCCC[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001200471831 748265477 /nfs/dbraw/zinc/26/54/77/748265477.db2.gz JUVQMRTWKVHQMU-ZIAGYGMSSA-N 1 0 313.398 1.047 20 5 DDBDRO COCCCCC(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001124573058 748333606 /nfs/dbraw/zinc/33/36/06/748333606.db2.gz MFIRNSNUBYVWQU-UHFFFAOYSA-N 1 0 309.366 1.617 20 5 DDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([NH2+]CCc2ccccc2)CC1 ZINC000996428453 749586066 /nfs/dbraw/zinc/58/60/66/749586066.db2.gz DRQYIHQBCXIQTI-HZPDHXFCSA-N 1 0 317.389 1.475 20 5 DDBDRO Cc1csc(C[NH2+]C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC000996429702 749588845 /nfs/dbraw/zinc/58/88/45/749588845.db2.gz SSDQHOMUYIOSDP-VXGBXAGGSA-N 1 0 324.406 1.197 20 5 DDBDRO Cc1conc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001034644417 750626267 /nfs/dbraw/zinc/62/62/67/750626267.db2.gz GLYBUBBXFQUJRN-HKUMRIAESA-N 1 0 322.365 1.165 20 5 DDBDRO O=C(NCC1=CC[N@H+](Cc2ccsc2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001000674016 762078611 /nfs/dbraw/zinc/07/86/11/762078611.db2.gz KYGCQHBAUFXSCN-ZIAGYGMSSA-N 1 0 321.402 1.662 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[C@H]3c3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC001129080698 751247297 /nfs/dbraw/zinc/24/72/97/751247297.db2.gz VGECPZAUWXQULS-OEAJRASXSA-N 1 0 315.373 1.861 20 5 DDBDRO O=C(C[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)N1CCc2ccccc21 ZINC001168967688 762158675 /nfs/dbraw/zinc/15/86/75/762158675.db2.gz SLKSJYKHSJPRRD-TZMCWYRMSA-N 1 0 303.362 1.611 20 5 DDBDRO COc1ccc(OC[C@H](O)C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1 ZINC001168968160 762158713 /nfs/dbraw/zinc/15/87/13/762158713.db2.gz WXDJQQDHYLOUGK-MGPQQGTHSA-N 1 0 324.377 1.470 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H]2CCCN(c3cnccn3)C2)C1 ZINC001168999060 762170693 /nfs/dbraw/zinc/17/06/93/762170693.db2.gz RMXCZZJJOMUQDY-RDBSUJKOSA-N 1 0 305.382 1.480 20 5 DDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+][C@H]2CCCN(c3cnccn3)C2)C1 ZINC001168999057 762171080 /nfs/dbraw/zinc/17/10/80/762171080.db2.gz RMXCZZJJOMUQDY-IHRRRGAJSA-N 1 0 305.382 1.480 20 5 DDBDRO [NH3+]Cc1ccc(-c2nnn([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)n2)cc1 ZINC001169000729 762172004 /nfs/dbraw/zinc/17/20/04/762172004.db2.gz AROGXGKVBWOPEB-DGCLKSJQSA-N 1 0 302.338 1.417 20 5 DDBDRO CC(=O)N1CCc2cc(-n3c(C)cnc3C[NH3+])cc([N+](=O)[O-])c21 ZINC001169030667 762187522 /nfs/dbraw/zinc/18/75/22/762187522.db2.gz HIPZCFIKEJWRLW-UHFFFAOYSA-N 1 0 315.333 1.457 20 5 DDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CCN(Cc3ccccn3)CC2)C1 ZINC001169025317 762203399 /nfs/dbraw/zinc/20/33/99/762203399.db2.gz YPIICSGFOJSZDH-GOEBONIOSA-N 1 0 304.394 1.645 20 5 DDBDRO CC[N@H+](C)CCC(=O)N[C@H]1C[C@@H](Nc2ccccc2[N+](=O)[O-])C1 ZINC001097212392 756983160 /nfs/dbraw/zinc/98/31/60/756983160.db2.gz SSEQIWGTNMEXOK-BETUJISGSA-N 1 0 320.393 1.996 20 5 DDBDRO [NH3+]Cc1ccc2c(n1)N(c1ncnc(Cl)c1[N+](=O)[O-])CCC2 ZINC001169584728 762544997 /nfs/dbraw/zinc/54/49/97/762544997.db2.gz QKZXNAPLTVRSRR-UHFFFAOYSA-N 1 0 320.740 1.976 20 5 DDBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@@]12CC[N@H+](C1)CCC2 ZINC000829048852 759871210 /nfs/dbraw/zinc/87/12/10/759871210.db2.gz BNASQRQLDYMNPW-INIZCTEOSA-N 1 0 303.362 1.739 20 5 DDBDRO Cc1nc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cs1 ZINC001086364200 761501019 /nfs/dbraw/zinc/50/10/19/761501019.db2.gz WNAGRTWDXFILSG-FPQZTECRSA-N 1 0 324.406 1.101 20 5 DDBDRO C[C@H](Nc1nc2c(cc1[N+](=O)[O-])CCCC2)[C@@H]1C[NH2+]CCO1 ZINC001170568507 768178941 /nfs/dbraw/zinc/17/89/41/768178941.db2.gz IOMXDFURLZYDST-HZMBPMFUSA-N 1 0 306.366 1.657 20 5 DDBDRO COc1ccc(C[C@@H](C)[NH2+][C@@H]2CCN(C)C(=O)C2)c([N+](=O)[O-])c1 ZINC001170308708 766259389 /nfs/dbraw/zinc/25/93/89/766259389.db2.gz ODHXWWHXULKFSB-DGCLKSJQSA-N 1 0 321.377 1.745 20 5 DDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@@H]2C[N@@H+](CC3CCCCC3)C[C@@H]2C1 ZINC001048812843 769932094 /nfs/dbraw/zinc/93/20/94/769932094.db2.gz QUYXJCPFRRLIOP-QKPAOTATSA-N 1 0 321.421 1.622 20 5 DDBDRO O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)C1(CF)CC1 ZINC001133631685 770071714 /nfs/dbraw/zinc/07/17/14/770071714.db2.gz BOJYXCCUCVIBBU-UHFFFAOYSA-N 1 0 301.343 1.612 20 5 DDBDRO CCc1oncc1C(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001134546846 771046292 /nfs/dbraw/zinc/04/62/92/771046292.db2.gz XQZBAZXBZUKAOT-UHFFFAOYSA-N 1 0 318.333 1.665 20 5 DDBDRO Cc1cc(N[C@H]2C[C@H](NC(=O)CC[NH+](C)C)C2)ncc1[N+](=O)[O-] ZINC001097095961 771621554 /nfs/dbraw/zinc/62/15/54/771621554.db2.gz DKEISBFIZUXQGE-HAQNSBGRSA-N 1 0 321.381 1.309 20 5 DDBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001136189443 771913635 /nfs/dbraw/zinc/91/36/35/771913635.db2.gz SJWQBAIJNIAINF-SNVBAGLBSA-N 1 0 307.354 1.176 20 5 DDBDRO CC/C=C\CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001147506994 773155296 /nfs/dbraw/zinc/15/52/96/773155296.db2.gz JMZLMYJCHMZFPJ-JHZNUDOXSA-N 1 0 307.394 1.542 20 5 DDBDRO Cc1cc(NCCNC(=O)C[N@@H+](C)C(C)C)ccc1[N+](=O)[O-] ZINC001093673977 774988336 /nfs/dbraw/zinc/98/83/36/774988336.db2.gz GWVPBFJRWIRHHV-UHFFFAOYSA-N 1 0 308.382 1.772 20 5 DDBDRO Cc1cnc(NCCNC(=O)C[N@@H+](C)C2CCC2)c([N+](=O)[O-])c1 ZINC001094221351 775542497 /nfs/dbraw/zinc/54/24/97/775542497.db2.gz AQTWEEVIUHEDPW-UHFFFAOYSA-N 1 0 321.381 1.311 20 5 DDBDRO O=C1CC[C@@H]([NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CN1 ZINC001172899215 776914055 /nfs/dbraw/zinc/91/40/55/776914055.db2.gz MGNBPZCXQPSCGU-ZIAGYGMSSA-N 1 0 303.362 1.710 20 5 DDBDRO C[C@@H]1CN([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC(=O)N1 ZINC001172907533 776918066 /nfs/dbraw/zinc/91/80/66/776918066.db2.gz GXQVGZYIALVFLJ-RISCZKNCSA-N 1 0 303.362 1.663 20 5 DDBDRO CN(C)C(=O)C[N@H+](C)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172915524 776929951 /nfs/dbraw/zinc/92/99/51/776929951.db2.gz NXVUPSKIAFRQSE-AWEZNQCLSA-N 1 0 305.378 1.862 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C[C@@H](O)CF)c1F ZINC001173181298 777035041 /nfs/dbraw/zinc/03/50/41/777035041.db2.gz CMFWIYMXNZEEAQ-IUCAKERBSA-N 1 0 304.293 1.594 20 5 DDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCOCCOCCO ZINC001173216906 777048838 /nfs/dbraw/zinc/04/88/38/777048838.db2.gz KCBSHNOMOURNEN-ZDUSSCGKSA-N 1 0 312.366 1.141 20 5 DDBDRO CC[NH+](CC)CC(=O)N(C)CCNc1cc(C)c([N+](=O)[O-])cn1 ZINC001101628487 777323141 /nfs/dbraw/zinc/32/31/41/777323141.db2.gz MIBVUZHPPRAPEL-UHFFFAOYSA-N 1 0 323.397 1.510 20 5 DDBDRO Nc1ncc(C(=O)N2CCC([NH2+]C3CCC3)CC2)cc1[N+](=O)[O-] ZINC001180094196 779603337 /nfs/dbraw/zinc/60/33/37/779603337.db2.gz BQIUNKWRBVXBIZ-UHFFFAOYSA-N 1 0 319.365 1.319 20 5 DDBDRO O=C1NCCC12CC[NH+](CCOc1cccc([N+](=O)[O-])c1)CC2 ZINC001119264715 781386260 /nfs/dbraw/zinc/38/62/60/781386260.db2.gz DXSVEGXSJVKAFU-UHFFFAOYSA-N 1 0 319.361 1.576 20 5 DDBDRO C[NH+](C)CCC(=O)NCC1CN(Cc2ccccc2[N+](=O)[O-])C1 ZINC001268874698 840929930 /nfs/dbraw/zinc/92/99/30/840929930.db2.gz VXNKTFHOCUHJMW-UHFFFAOYSA-N 1 0 320.393 1.095 20 5 DDBDRO Cc1ccoc1C(=O)NCCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001154603825 861269936 /nfs/dbraw/zinc/26/99/36/861269936.db2.gz MIOZKTXQPMNCCP-UHFFFAOYSA-N 1 0 321.337 1.139 20 5 DDBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001326482968 861401811 /nfs/dbraw/zinc/40/18/11/861401811.db2.gz RPNNPAOIBDOEBH-KCPJHIHWSA-N 1 0 321.377 1.427 20 5 DDBDRO C[C@@H](CN1CC[NH2+]CC1)Nc1ncnc2cccc([N+](=O)[O-])c21 ZINC001154754018 861428271 /nfs/dbraw/zinc/42/82/71/861428271.db2.gz XNWCAQWWGMLLCM-NSHDSACASA-N 1 0 316.365 1.244 20 5 DDBDRO O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1NC[C@@]1(F)CCCC[NH2+]C1 ZINC001155115719 861748304 /nfs/dbraw/zinc/74/83/04/861748304.db2.gz CEXIJBQVSGVPRE-GFCCVEGCSA-N 1 0 318.736 1.775 20 5 DDBDRO O=C(NCCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1ccon1 ZINC001155143782 861769106 /nfs/dbraw/zinc/76/91/06/861769106.db2.gz PJYFITQMYJEMBW-UHFFFAOYSA-N 1 0 310.335 1.554 20 5 DDBDRO C/C(=C\C(=O)NCCC[NH2+]Cc1c([N+](=O)[O-])ncn1C)C1CC1 ZINC001155166454 861790762 /nfs/dbraw/zinc/79/07/62/861790762.db2.gz SLFINXVAXWVBLG-DHZHZOJOSA-N 1 0 321.381 1.281 20 5 DDBDRO O=[N+]([O-])c1ccc2ncc(N[C@@H]3COCCC34C[NH2+]C4)nc2c1 ZINC001155460869 862112180 /nfs/dbraw/zinc/11/21/80/862112180.db2.gz CNGFNHCNJRESQC-CYBMUJFWSA-N 1 0 315.333 1.328 20 5 DDBDRO O=[N+]([O-])c1cnc(Cl)nc1NC[C@H]1OC[C@H]2C[NH2+]CC[C@H]21 ZINC001155514765 862178899 /nfs/dbraw/zinc/17/88/99/862178899.db2.gz MLUDFDORHJYCNJ-NQMVMOMDSA-N 1 0 313.745 1.075 20 5 DDBDRO O=C1C[C@H]2[NH2+]CC[C@]2(Nc2nccc3cc([N+](=O)[O-])ccc32)N1 ZINC001155580676 862251987 /nfs/dbraw/zinc/25/19/87/862251987.db2.gz NUWQSFRZKKBBGO-IUODEOHRSA-N 1 0 313.317 1.133 20 5 DDBDRO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC001327673761 862374982 /nfs/dbraw/zinc/37/49/82/862374982.db2.gz MHOYFYNWNVZOBW-ZIAGYGMSSA-N 1 0 320.393 1.996 20 5 DDBDRO COCCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[NH+](C(C)C)CC1 ZINC001151121809 862636422 /nfs/dbraw/zinc/63/64/22/862636422.db2.gz UGWDNXDFRNZPQQ-CHWSQXEVSA-N 1 0 313.398 1.047 20 5 DDBDRO CC1(C)CC(C[N@@H+]2CCC3(CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)C2)C1 ZINC001072724763 857642106 /nfs/dbraw/zinc/64/21/06/857642106.db2.gz DORCAEIRQYMEAC-ZIAGYGMSSA-N 1 0 321.421 1.622 20 5 DDBDRO C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC001122144114 858695722 /nfs/dbraw/zinc/69/57/22/858695722.db2.gz RNYMUTJWTKEGPS-NEPJUHHUSA-N 1 0 305.378 1.844 20 5 DDBDRO C[NH2+]CCOCCN(C)C(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001122168363 858702017 /nfs/dbraw/zinc/70/20/17/858702017.db2.gz NYCULGRBBDKDGO-CABCVRRESA-N 1 0 321.377 1.393 20 5 DDBDRO [NH3+]C[C@@]12CC[C@@H]1CCN2C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC001122320045 858751256 /nfs/dbraw/zinc/75/12/56/858751256.db2.gz MVYCSVAGUJOEPL-ABAIWWIYSA-N 1 0 305.334 1.313 20 5 DDBDRO COc1ccc(CC(=O)N2CCC[C@]23CC[NH2+]C3)cc1[N+](=O)[O-] ZINC001122412608 858797049 /nfs/dbraw/zinc/79/70/49/858797049.db2.gz VEBZGHWUPNTAFS-MRXNPFEDSA-N 1 0 319.361 1.500 20 5 DDBDRO O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)C1CCOCC1 ZINC001122492564 858851004 /nfs/dbraw/zinc/85/10/04/858851004.db2.gz PYTFGBLFLBMNIM-UHFFFAOYSA-N 1 0 313.379 1.289 20 5 DDBDRO O=C(COc1cccc([N+](=O)[O-])c1)NCC[C@H]1CCC[NH2+]CC1 ZINC001122595800 858904185 /nfs/dbraw/zinc/90/41/85/858904185.db2.gz SQRZMKOCDIUUMZ-ZDUSSCGKSA-N 1 0 321.377 1.870 20 5 DDBDRO Cc1cc(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)on1 ZINC001123422758 859229895 /nfs/dbraw/zinc/22/98/95/859229895.db2.gz AHWYFBHZIORCGD-UHFFFAOYSA-N 1 0 304.306 1.411 20 5 DDBDRO O=C(CCn1cccn1)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001123712758 859374077 /nfs/dbraw/zinc/37/40/77/859374077.db2.gz VRAKEBRFWZUMTO-UHFFFAOYSA-N 1 0 317.349 1.087 20 5 DDBDRO CC(C)OCCC(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001123835333 859434471 /nfs/dbraw/zinc/43/44/71/859434471.db2.gz YOFVSOKIJXIGQO-UHFFFAOYSA-N 1 0 309.366 1.616 20 5 DDBDRO CC(C)OCCC(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001123834698 859434623 /nfs/dbraw/zinc/43/46/23/859434623.db2.gz IWEZIQSQNXGHTJ-UHFFFAOYSA-N 1 0 309.366 1.616 20 5 DDBDRO C[NH+](C)[C@H]1CCCC[C@H]1Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC001325950960 860984928 /nfs/dbraw/zinc/98/49/28/860984928.db2.gz FVGBWBDFCZXBSC-MNOVXSKESA-N 1 0 307.354 1.373 20 5 DDBDRO O=C(CC[N@@H+]1CC[C@@H](F)C1)NCCc1ccc([N+](=O)[O-])cc1 ZINC001142082212 861014736 /nfs/dbraw/zinc/01/47/36/861014736.db2.gz BIRIVIFRWIMOSM-CYBMUJFWSA-N 1 0 309.341 1.687 20 5 DDBDRO Cn1ccc(C(=O)NCCC[NH2+]Cc2ccccc2[N+](=O)[O-])c1 ZINC001156552926 863140819 /nfs/dbraw/zinc/14/08/19/863140819.db2.gz SDRKSFDJOLUTFJ-UHFFFAOYSA-N 1 0 316.361 1.843 20 5 DDBDRO C[C@@H]1CN(C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)CC[NH2+]1 ZINC001156689359 863262913 /nfs/dbraw/zinc/26/29/13/863262913.db2.gz YVHROEROSMHMOU-SSDOTTSWSA-N 1 0 306.700 1.986 20 5 DDBDRO O=C(N[C@@H]1CC[NH2+]C12CCC2)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001329055426 863448154 /nfs/dbraw/zinc/44/81/54/863448154.db2.gz OFHXLSAZOZUMQD-CQSZACIVSA-N 1 0 316.361 1.905 20 5 DDBDRO C[NH2+][C@@H](C)CCNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C ZINC001329571046 863734451 /nfs/dbraw/zinc/73/44/51/863734451.db2.gz KRGSXEZHFPRBSW-JTQLQIEISA-N 1 0 315.395 1.488 20 5 DDBDRO [NH3+]CC1(NC(=O)c2ccc3oc4ccccc4c(=O)c3c2)COC1 ZINC001153423929 863884219 /nfs/dbraw/zinc/88/42/19/863884219.db2.gz ACLSZQTUSZEKIL-UHFFFAOYSA-N 1 0 324.336 1.404 20 5 DDBDRO O=C(CC1(O)CCC1)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001157656876 864021344 /nfs/dbraw/zinc/02/13/44/864021344.db2.gz BVGOUYKCBQECFR-UHFFFAOYSA-N 1 0 321.377 1.496 20 5 DDBDRO [NH3+]CC[C@@H]1CN(c2cc([N+](=O)[O-])cc[n+]2[O-])c2ccccc21 ZINC001157739574 864090131 /nfs/dbraw/zinc/09/01/31/864090131.db2.gz MAIAAIMULQYXDB-LLVKDONJSA-N 1 0 300.318 1.812 20 5 DDBDRO Cc1cccc(OCC[NH2+]CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC001157775841 864131504 /nfs/dbraw/zinc/13/15/04/864131504.db2.gz ZZEFWDDTIDVJCO-HUUCEWRRSA-N 1 0 321.377 1.135 20 5 DDBDRO [NH3+]CCc1nc(-c2ccccc2)nn1-c1cc([N+](=O)[O-])ccn1 ZINC001157895860 864233856 /nfs/dbraw/zinc/23/38/56/864233856.db2.gz XAAOJDSOLNMTLD-UHFFFAOYSA-N 1 0 310.317 1.739 20 5 DDBDRO Cc1c[nH+]ccc1N1CCN(c2ccc([N+](=O)[O-])c(N)n2)CC1 ZINC001158106681 864431105 /nfs/dbraw/zinc/43/11/05/864431105.db2.gz YCWJYKHYUKPIPC-UHFFFAOYSA-N 1 0 314.349 1.602 20 5 DDBDRO [NH3+]Cc1cccc2c1cnn2-c1nc(Cl)ncc1[N+](=O)[O-] ZINC001158302343 864554027 /nfs/dbraw/zinc/55/40/27/864554027.db2.gz DAAFYPPHBVRORK-UHFFFAOYSA-N 1 0 304.697 1.836 20 5 DDBDRO COc1cnc(N2CCO[C@@H](C[NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC001158309953 864565386 /nfs/dbraw/zinc/56/53/86/864565386.db2.gz VIJQVJIDFJYBCP-ZDUSSCGKSA-N 1 0 322.365 1.299 20 5 DDBDRO COc1ccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)c(Cl)c1 ZINC001225344633 881789451 /nfs/dbraw/zinc/78/94/51/881789451.db2.gz KMCCQKJBALAHLV-SNVBAGLBSA-N 1 0 302.778 1.711 20 5 DDBDRO O=[N+]([O-])c1ccc(-c2ccc(N3CC[NH2+]C4(CC4)C3)nn2)cc1 ZINC001158938060 864985698 /nfs/dbraw/zinc/98/56/98/864985698.db2.gz MJMFLQBTPRGWKM-UHFFFAOYSA-N 1 0 311.345 1.994 20 5 DDBDRO C[C@@H]1CN(c2ncc([N+](=O)[O-])c3ccccc32)CC[N@@H+]1CCO ZINC001331599355 865175075 /nfs/dbraw/zinc/17/50/75/865175075.db2.gz CPNPWDXUWHTRBQ-GFCCVEGCSA-N 1 0 316.361 1.646 20 5 DDBDRO O=[N+]([O-])c1cc2nc(Cl)ccc2cc1N[C@@H]1C[NH2+]C[C@H]1CO ZINC001159684079 865469730 /nfs/dbraw/zinc/46/97/30/865469730.db2.gz ZGNTYXVPXQMLDL-JOYOIKCWSA-N 1 0 322.752 1.789 20 5 DDBDRO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccc(N)c([N+](=O)[O-])c3)[C@H]2C1 ZINC001159884671 865581846 /nfs/dbraw/zinc/58/18/46/865581846.db2.gz JVHDOLJHPXIQHN-GVXVVHGQSA-N 1 0 304.350 1.247 20 5 DDBDRO Nc1cc(NCC[NH+]2CCC(F)(F)CC2)ncc1[N+](=O)[O-] ZINC001160749042 866095382 /nfs/dbraw/zinc/09/53/82/866095382.db2.gz HUTFJIJHJQSRKO-UHFFFAOYSA-N 1 0 301.297 1.715 20 5 DDBDRO Cc1cnc(N(C2COC2)[C@H]2CC[C@H]([NH3+])CC2)c([N+](=O)[O-])c1 ZINC001161274468 866482984 /nfs/dbraw/zinc/48/29/84/866482984.db2.gz CXEQZTRDXINYTC-HAQNSBGRSA-N 1 0 306.366 1.773 20 5 DDBDRO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001324694475 867456114 /nfs/dbraw/zinc/45/61/14/867456114.db2.gz WXQUPNVSIHNCKJ-KFWWJZLASA-N 1 0 321.377 1.617 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])cc(NC[C@@H]2CCC[NH2+]C[C@H]2C)n1 ZINC001162452496 867543995 /nfs/dbraw/zinc/54/39/95/867543995.db2.gz FOYUQHMDJYDMHP-MNOVXSKESA-N 1 0 322.365 1.824 20 5 DDBDRO C[C@@H]1C[NH2+]CCC[C@@H]1CNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC001162461006 867550494 /nfs/dbraw/zinc/55/04/94/867550494.db2.gz MCPWQQASBQHHLJ-NXEZZACHSA-N 1 0 307.354 1.136 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC001334668959 867755547 /nfs/dbraw/zinc/75/55/47/867755547.db2.gz LTBGHSLRDHYZIS-BDJLRTHQSA-N 1 0 318.377 1.614 20 5 DDBDRO CCOC(=O)c1ccnc(N[C@@H]2C=C[C@H]3C[NH2+]C[C@H]32)c1[N+](=O)[O-] ZINC001162802342 867837036 /nfs/dbraw/zinc/83/70/36/867837036.db2.gz MNBVBOVXUXWQQH-MVWJERBFSA-N 1 0 318.333 1.352 20 5 DDBDRO CC(C)(C)[NH2+]CC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001322041820 867955234 /nfs/dbraw/zinc/95/52/34/867955234.db2.gz UYEPBXUZVLCDGQ-UHFFFAOYSA-N 1 0 305.338 1.475 20 5 DDBDRO O=[N+]([O-])c1cc(Cl)ncc1NCC[C@@H]1CCOC12C[NH2+]C2 ZINC001163087327 868076615 /nfs/dbraw/zinc/07/66/15/868076615.db2.gz JACUKZCHELQTPX-SECBINFHSA-N 1 0 312.757 1.824 20 5 DDBDRO Cc1cncc([N+](=O)[O-])c1NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC001322552431 868242283 /nfs/dbraw/zinc/24/22/83/868242283.db2.gz CVSLKDAHLTWUPF-CYBMUJFWSA-N 1 0 308.382 1.633 20 5 DDBDRO O=C1C[C@H]2[NH2+]CC[C@]2(Nc2ccc3cc([N+](=O)[O-])ccc3n2)N1 ZINC001163239284 868246733 /nfs/dbraw/zinc/24/67/33/868246733.db2.gz QCTBYJKJMXDMAD-DOMZBBRYSA-N 1 0 313.317 1.133 20 5 DDBDRO CC(C)N(C)CC[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC001335365110 868251204 /nfs/dbraw/zinc/25/12/04/868251204.db2.gz AGSIURQAOFYGPW-CQSZACIVSA-N 1 0 311.382 1.264 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1N[C@]12CC[NH2+][C@H]1CC(=O)N2 ZINC001163246731 868253826 /nfs/dbraw/zinc/25/38/26/868253826.db2.gz BFCMAQIPUGVVPJ-XHDPSFHLSA-N 1 0 304.350 1.510 20 5 DDBDRO COC[C@@H]1C[NH2+]CCN1C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC001335369811 868254924 /nfs/dbraw/zinc/25/49/24/868254924.db2.gz YLMDTUXHNQBRQU-RISCZKNCSA-N 1 0 322.365 1.286 20 5 DDBDRO COC1CCN(CC[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001335396205 868271871 /nfs/dbraw/zinc/27/18/71/868271871.db2.gz DLZWPIANDZHLIW-MRXNPFEDSA-N 1 0 323.393 1.329 20 5 DDBDRO COC(=O)Cc1ccc(N[C@H]2CC[C@@H]3C[NH2+]C[C@@H]32)cc1[N+](=O)[O-] ZINC001163267170 868283579 /nfs/dbraw/zinc/28/35/79/868283579.db2.gz KLAJREFHCHBWJF-XBFCOCLRSA-N 1 0 319.361 1.720 20 5 DDBDRO CCOC(=O)c1cccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)c1 ZINC001226061865 882184193 /nfs/dbraw/zinc/18/41/93/882184193.db2.gz XHYRQEZMFQJMGO-CYBMUJFWSA-N 1 0 310.370 1.226 20 5 DDBDRO C[C@H](CNC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1[N+](=O)[O-] ZINC001335703483 868487093 /nfs/dbraw/zinc/48/70/93/868487093.db2.gz KKGKUDRIYVVKFV-UPJWGTAASA-N 1 0 318.377 1.844 20 5 DDBDRO O=[N+]([O-])c1ccccc1NCCNC[C@@H](O)C[NH+]1CCCC1 ZINC001335933165 868629133 /nfs/dbraw/zinc/62/91/33/868629133.db2.gz FADLMVBZRVPROH-CYBMUJFWSA-N 1 0 308.382 1.053 20 5 DDBDRO CC(C)[N@@H+]1CCC[C@@H](Oc2ccc([N+](=O)[O-])cc2C(N)=O)C1 ZINC001226173299 882249918 /nfs/dbraw/zinc/24/99/18/882249918.db2.gz RXCLVLPOQXMHRD-GFCCVEGCSA-N 1 0 307.350 1.945 20 5 DDBDRO C[C@@H](NC(=O)N[C@H]1C[NH2+]CC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC001336740680 869118317 /nfs/dbraw/zinc/11/83/17/869118317.db2.gz YCJZCUJQIKDWNZ-MFKMUULPSA-N 1 0 306.366 1.953 20 5 DDBDRO COC(=O)c1cc(C)nc(N[C@@H]2C[NH+]3CCC2CC3)c1[N+](=O)[O-] ZINC001336781090 869137528 /nfs/dbraw/zinc/13/75/28/869137528.db2.gz RRBDWZJPFJDGDQ-GFCCVEGCSA-N 1 0 320.349 1.591 20 5 DDBDRO Cc1c(CNC(=O)N2CCC[C@@]23CC[NH2+]C3)cccc1[N+](=O)[O-] ZINC001336878967 869196234 /nfs/dbraw/zinc/19/62/34/869196234.db2.gz HPPCBQVZXKXLRL-INIZCTEOSA-N 1 0 318.377 1.941 20 5 DDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC001337502781 869515374 /nfs/dbraw/zinc/51/53/74/869515374.db2.gz KWIXEXORGICBHN-AWEZNQCLSA-N 1 0 306.366 1.707 20 5 DDBDRO C[C@@H](CNC(=O)N[C@]1(C)CC[NH2+]C1)c1ccccc1[N+](=O)[O-] ZINC001338755180 870152830 /nfs/dbraw/zinc/15/28/30/870152830.db2.gz OSISCGBGWWHVAF-XHDPSFHLSA-N 1 0 306.366 1.750 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCC[N@@H+]1C ZINC001339265102 870428465 /nfs/dbraw/zinc/42/84/65/870428465.db2.gz OXYCMCCZRVYGIL-LBPRGKRZSA-N 1 0 307.350 1.818 20 5 DDBDRO CCn1c(CCC[N+](=O)[O-])nnc1N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC001340021302 870845896 /nfs/dbraw/zinc/84/58/96/870845896.db2.gz RTJBFQCCISPCDV-QWHCGFSZSA-N 1 0 322.413 1.038 20 5 DDBDRO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CC([NH2+][C@@H]2CCOC2)C1 ZINC001304085059 871184989 /nfs/dbraw/zinc/18/49/89/871184989.db2.gz QDYVJPLJUQBQOQ-SNVBAGLBSA-N 1 0 323.324 1.245 20 5 DDBDRO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cccc([N+](=O)[O-])c3N)[C@H]2C1 ZINC001305873766 871307390 /nfs/dbraw/zinc/30/73/90/871307390.db2.gz KQCIQNDXWBBDPU-ZMLRMANQSA-N 1 0 304.350 1.247 20 5 DDBDRO COC(=O)CC(C)(C)[N@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001340963500 871442319 /nfs/dbraw/zinc/44/23/19/871442319.db2.gz ZRPLRDXJEOYQFV-UHFFFAOYSA-N 1 0 323.349 1.807 20 5 DDBDRO C[C@@](CO)([NH2+]C[C@@H]1CCc2ncnn21)c1cccc([N+](=O)[O-])c1 ZINC001308000382 871463482 /nfs/dbraw/zinc/46/34/82/871463482.db2.gz UFLZTXFQVUARMK-ZFWWWQNUSA-N 1 0 317.349 1.171 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CC[C@H](c3ncccn3)C2)cc1 ZINC001308111071 871471537 /nfs/dbraw/zinc/47/15/37/871471537.db2.gz BMDWUSCEEIVSQE-DZGCQCFKSA-N 1 0 314.345 1.908 20 5 DDBDRO CO[C@@H](C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1CCOC1 ZINC001308723285 871521568 /nfs/dbraw/zinc/52/15/68/871521568.db2.gz PMDXOPIEXCNYEM-HZMBPMFUSA-N 1 0 320.349 1.612 20 5 DDBDRO COc1c(O)ccc(C[NH2+][C@@H](C)Cc2cnn(C)c2)c1[N+](=O)[O-] ZINC001308769026 871528174 /nfs/dbraw/zinc/52/81/74/871528174.db2.gz WHBRKKUVNQFQDT-JTQLQIEISA-N 1 0 320.349 1.763 20 5 DDBDRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC001310094312 871620053 /nfs/dbraw/zinc/62/00/53/871620053.db2.gz FSOHZBNUSRZZHS-LBPRGKRZSA-N 1 0 322.365 1.562 20 5 DDBDRO COc1ccc(CC(=O)N2CC[C@H]3CC[C@]32C[NH3+])cc1[N+](=O)[O-] ZINC001343127679 872510973 /nfs/dbraw/zinc/51/09/73/872510973.db2.gz ZQXXAOOWYQASSU-WBMJQRKESA-N 1 0 319.361 1.486 20 5 DDBDRO C[C@@H]([NH3+])CONC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC001343798269 872762181 /nfs/dbraw/zinc/76/21/81/872762181.db2.gz MQORDUBYZSLYLO-SECBINFHSA-N 1 0 319.321 1.004 20 5 DDBDRO C[C@H]1CN(C(=O)COc2cccc([N+](=O)[O-])c2)CC[C@H]1C[NH3+] ZINC001345011694 873220494 /nfs/dbraw/zinc/22/04/94/873220494.db2.gz OCMNWNBGDNYXOG-RYUDHWBXSA-N 1 0 307.350 1.417 20 5 DDBDRO C[C@H](C[N+](=O)[O-])OC(=O)/C=C\c1ccc(OCC[NH+](C)C)cc1 ZINC001345020017 873223574 /nfs/dbraw/zinc/22/35/74/873223574.db2.gz WAFFFXLEYYNMKZ-OYVUYXNMSA-N 1 0 322.361 1.849 20 5 DDBDRO C[C@@H](CNC(=O)C[C@H]1COCC[NH2+]1)c1ccccc1[N+](=O)[O-] ZINC001345324614 873354306 /nfs/dbraw/zinc/35/43/06/873354306.db2.gz LRNZDYFPGDDXFG-RYUDHWBXSA-N 1 0 307.350 1.193 20 5 DDBDRO CC1(C)C[NH2+]C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC001345380273 873382464 /nfs/dbraw/zinc/38/24/64/873382464.db2.gz HGGNVLXNVPWDNT-ZDUSSCGKSA-N 1 0 314.345 1.871 20 5 DDBDRO C[NH2+]C[C@H]1CCCCN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC001349850489 875412176 /nfs/dbraw/zinc/41/21/76/875412176.db2.gz ZFGQWQVZVGXDCZ-CYBMUJFWSA-N 1 0 320.393 1.997 20 5 DDBDRO Cc1cncc([N+](=O)[O-])c1NC(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001352915739 877005267 /nfs/dbraw/zinc/00/52/67/877005267.db2.gz DJLQETHWDVNUFU-GFCCVEGCSA-N 1 0 319.365 1.422 20 5 DDBDRO C[C@@H]1CN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])C[C@H]1CC[NH3+] ZINC001354720576 878176144 /nfs/dbraw/zinc/17/61/44/878176144.db2.gz VIIMLPTWOLNCFE-CHWSQXEVSA-N 1 0 320.393 1.474 20 5 DDBDRO O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[C@H]1[NH2+]CC12CCCC2 ZINC001357151368 879817712 /nfs/dbraw/zinc/81/77/12/879817712.db2.gz SNUIRSPWJTWFMG-GFCCVEGCSA-N 1 0 315.333 1.942 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)OCc1ccc2scnc2c1 ZINC001224135542 881237317 /nfs/dbraw/zinc/23/73/17/881237317.db2.gz XXYSWLNUHFMHNM-GFCCVEGCSA-N 1 0 309.411 1.797 20 5 DDBDRO CN1[C@@H]2C[C@H](Oc3nccc(Cl)c3[N+](=O)[O-])[C@H]1CC(=O)C2 ZINC001228014393 883285578 /nfs/dbraw/zinc/28/55/78/883285578.db2.gz KDVZYRWAXWNGNB-XROYCOCOSA-N 1 0 311.725 1.826 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cc(Cl)c(Cl)nn1 ZINC001228988094 883756550 /nfs/dbraw/zinc/75/65/50/883756550.db2.gz OWMOAYXVHZNWNJ-SSDOTTSWSA-N 1 0 309.173 1.146 20 5 DDBDRO CO[C@@H]1CC[N@H+](CCOc2cc(F)c([N+](=O)[O-])cc2F)C1 ZINC001233599649 887140095 /nfs/dbraw/zinc/14/00/95/887140095.db2.gz LDMJIHDNPKTEIQ-SECBINFHSA-N 1 0 302.277 1.973 20 5 DDBDRO COC(=O)c1cnc(O[C@H]2CCC[N@H+](C)CC2)c([N+](=O)[O-])c1 ZINC001233860350 887398981 /nfs/dbraw/zinc/39/89/81/887398981.db2.gz ZVJOFZYBBHAOIP-NSHDSACASA-N 1 0 309.322 1.640 20 5 DDBDRO COc1cc(CC[N+](=O)[O-])ccc1OCC[N@H+]1CC[C@@H](OC)C1 ZINC001233984332 887525219 /nfs/dbraw/zinc/52/52/19/887525219.db2.gz GQRAZZWGLDOMLX-CQSZACIVSA-N 1 0 324.377 1.614 20 5 DDBDRO COC(=O)[C@@H](C)c1ccccc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001234821852 888210453 /nfs/dbraw/zinc/21/04/53/888210453.db2.gz QEAYRCIMPRRMQK-QWHCGFSZSA-N 1 0 324.397 1.326 20 5 DDBDRO CCCOCC(=O)NCCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC001235137561 888430814 /nfs/dbraw/zinc/43/08/14/888430814.db2.gz OHGLYNGQZZCGIV-UHFFFAOYSA-N 1 0 323.393 1.960 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC(N3CC[C@@H]4[NH2+]CC[C@H]43)CC2)cc1 ZINC001246627817 892750701 /nfs/dbraw/zinc/75/07/01/892750701.db2.gz ADPZEVJLHGAXPG-DLBZAZTESA-N 1 0 316.405 2.000 20 5 DDBDRO COC(=O)[C@@H](CCC[NH3+])N[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254538499 896494260 /nfs/dbraw/zinc/49/42/60/896494260.db2.gz WFTADSCETGPCEY-DGCLKSJQSA-N 1 0 309.366 1.396 20 5 DDBDRO CC(=O)N1CCC([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254572822 896507694 /nfs/dbraw/zinc/50/76/94/896507694.db2.gz SPJVFCWTDSCEKB-HNNXBMFYSA-N 1 0 303.362 1.663 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]C1CC3(C1)CS(=O)(=O)C3)C2 ZINC001254575405 896511602 /nfs/dbraw/zinc/51/16/02/896511602.db2.gz QKWXUZFVANLTKR-LBPRGKRZSA-N 1 0 322.386 1.229 20 5 DDBDRO NC[C@]1([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CN2CCC1CC2 ZINC001254580891 896513972 /nfs/dbraw/zinc/51/39/72/896513972.db2.gz HTTVOUBZSLYYPJ-RDJZCZTQSA-N 1 0 316.405 1.075 20 5 DDBDRO O=C1NCC[C@@]12CC[N@@H+]([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254594366 896522825 /nfs/dbraw/zinc/52/28/25/896522825.db2.gz QIINQQHGKCDKHJ-ZBFHGGJFSA-N 1 0 301.346 1.274 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1CCCC3(C1)OCCO3)C2 ZINC001254602380 896528211 /nfs/dbraw/zinc/52/82/11/896528211.db2.gz FEYNJGRFGKTPLU-HNNXBMFYSA-N 1 0 304.346 1.901 20 5 DDBDRO CC[C@@]1(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)CC[NH2+]C1 ZINC001261454206 899580615 /nfs/dbraw/zinc/58/06/15/899580615.db2.gz BLIOETIAKMNOKH-OAHLLOKOSA-N 1 0 306.366 1.513 20 5 DDBDRO O=C(/C=C/[C@H]1CCC[NH2+]C1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001262007619 899896144 /nfs/dbraw/zinc/89/61/44/899896144.db2.gz MBJMCLWBABGMDT-MJRJWQSSSA-N 1 0 301.346 1.993 20 5 DDBDRO CCOc1ccc(C(=O)N2CCC3(C[NH2+]C3)CC2)cc1[N+](=O)[O-] ZINC001263152024 900517826 /nfs/dbraw/zinc/51/78/26/900517826.db2.gz TUDPPXYEKWCDGN-UHFFFAOYSA-N 1 0 319.361 1.819 20 5 DDBDRO O=C(NC[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)C(F)F ZINC001263853342 900768455 /nfs/dbraw/zinc/76/84/55/900768455.db2.gz QWHKLDZDFDLOEX-HOMQSWHASA-N 1 0 313.304 1.844 20 5 DDBDRO Nc1c(C(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)cc(F)cc1[N+](=O)[O-] ZINC000449644112 230625154 /nfs/dbraw/zinc/62/51/54/230625154.db2.gz IVCUFCORZYZMKS-SCZZXKLOSA-N 1 0 310.329 1.563 20 5 DDBDRO C[C@H]1CC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)[C@H]1CO ZINC000248934204 282118651 /nfs/dbraw/zinc/11/86/51/282118651.db2.gz MYQNXVSWHMYHLY-GWCFXTLKSA-N 1 0 318.333 1.848 20 5 DDBDRO CN1CCN(C(=O)CC[N@H+](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000278725083 214356614 /nfs/dbraw/zinc/35/66/14/214356614.db2.gz VKFJVRLOEAREMV-UHFFFAOYSA-N 1 0 320.393 1.191 20 5 DDBDRO CCn1nccc1C1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000278741750 214368932 /nfs/dbraw/zinc/36/89/32/214368932.db2.gz AAEGVVGLDIWFOL-UHFFFAOYSA-N 1 0 318.381 1.887 20 5 DDBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000451634545 231146690 /nfs/dbraw/zinc/14/66/90/231146690.db2.gz RQCMMHGSWHRGIR-SLEUVZQESA-N 1 0 318.377 1.558 20 5 DDBDRO COc1ccc(OCC[NH2+][C@H]2COCC2(C)C)c([N+](=O)[O-])c1 ZINC000451810118 231200730 /nfs/dbraw/zinc/20/07/30/231200730.db2.gz OBVMFGJIXDBWQX-AWEZNQCLSA-N 1 0 310.350 1.997 20 5 DDBDRO CC(C)(C)[C@H](CO)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000278959628 214531975 /nfs/dbraw/zinc/53/19/75/214531975.db2.gz ZLCKTHVAHYCKNB-OCCSQVGLSA-N 1 0 312.366 1.331 20 5 DDBDRO CCC(CC)Nc1cc[nH+]cc1NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000563634252 303967513 /nfs/dbraw/zinc/96/75/13/303967513.db2.gz CWHUXQOJBGSMQG-UHFFFAOYSA-N 1 0 318.337 1.988 20 5 DDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H]([NH3+])[C@@H](C)C1 ZINC000447247121 529730662 /nfs/dbraw/zinc/73/06/62/529730662.db2.gz IHLHYYHOZPMMFB-CABZTGNLSA-N 1 0 313.379 1.125 20 5 DDBDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)C(C)(C)n3cc([N+](=O)[O-])cn3)[C@@H]2C1 ZINC000425060995 529821693 /nfs/dbraw/zinc/82/16/93/529821693.db2.gz XEULJONHWSURBR-WCQYABFASA-N 1 0 321.381 1.079 20 5 DDBDRO C[NH2+]CCCN(C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000420385010 529964583 /nfs/dbraw/zinc/96/45/83/529964583.db2.gz GDIVRWDRMKFKSL-UHFFFAOYSA-N 1 0 305.338 1.686 20 5 DDBDRO CC1CC[NH+](CCCNC(=O)c2c([N+](=O)[O-])cnn2C)CC1 ZINC000160438896 290772187 /nfs/dbraw/zinc/77/21/87/290772187.db2.gz CUAZTFOYIXUKRT-UHFFFAOYSA-N 1 0 309.370 1.180 20 5 DDBDRO C[C@@H](C[NH+](C)C)NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000286853069 219196206 /nfs/dbraw/zinc/19/62/06/219196206.db2.gz BHLXKWIXKPRLRF-JTQLQIEISA-N 1 0 306.366 1.849 20 5 DDBDRO C[C@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)C1=CC[N@H+](C)CC1 ZINC000272659566 210065577 /nfs/dbraw/zinc/06/55/77/210065577.db2.gz BRSGBXCBIVDJNX-LBPRGKRZSA-N 1 0 319.361 1.740 20 5 DDBDRO CC[C@@]1([NH2+]CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CCOC1 ZINC000616865656 362853976 /nfs/dbraw/zinc/85/39/76/362853976.db2.gz ZYCRCCXTQFHSNZ-OAHLLOKOSA-N 1 0 323.349 1.701 20 5 DDBDRO COc1ccc(CNC(=O)N[C@@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000286995145 219260079 /nfs/dbraw/zinc/26/00/79/219260079.db2.gz BVVOHEOBDYYLOI-JTQLQIEISA-N 1 0 310.354 1.353 20 5 DDBDRO COCC[N@@H+]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000048426747 352539027 /nfs/dbraw/zinc/53/90/27/352539027.db2.gz LPUJNRZVVVDUGV-UHFFFAOYSA-N 1 0 321.377 1.698 20 5 DDBDRO C[C@@H]([NH2+]CCCNS(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000173304707 186174522 /nfs/dbraw/zinc/17/45/22/186174522.db2.gz OCKZTISKBCXNMI-SNVBAGLBSA-N 1 0 301.368 1.185 20 5 DDBDRO C[NH+](C)C[C@H]1CCN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000181900543 186216933 /nfs/dbraw/zinc/21/69/33/186216933.db2.gz YGTDBWDVUMVPTL-SNVBAGLBSA-N 1 0 321.333 1.347 20 5 DDBDRO C[N@H+](CCCO)C1CCN(c2ncc([N+](=O)[O-])s2)CC1 ZINC000189982405 186258228 /nfs/dbraw/zinc/25/82/28/186258228.db2.gz AMSILJNNGGFGNC-UHFFFAOYSA-N 1 0 300.384 1.334 20 5 DDBDRO C[C@@H]1[NH2+]CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000262843958 186311929 /nfs/dbraw/zinc/31/19/29/186311929.db2.gz YBCAWQWSRYSDHL-RYUDHWBXSA-N 1 0 306.366 1.606 20 5 DDBDRO C[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)CC(C)(C)O ZINC000265154233 186342494 /nfs/dbraw/zinc/34/24/94/186342494.db2.gz UGGGZIFGEYPIGG-UHFFFAOYSA-N 1 0 307.350 1.187 20 5 DDBDRO COCCC[N@H+](C)CCNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601235249 358458499 /nfs/dbraw/zinc/45/84/99/358458499.db2.gz NESCJRFERVPUFK-UHFFFAOYSA-N 1 0 313.329 1.432 20 5 DDBDRO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000331742565 234070980 /nfs/dbraw/zinc/07/09/80/234070980.db2.gz WNYKIUTXBMEASV-LBPRGKRZSA-N 1 0 322.365 1.107 20 5 DDBDRO C[C@H](c1cccc(O)c1)[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000072630226 191206138 /nfs/dbraw/zinc/20/61/38/191206138.db2.gz QFZOFCAXHORIPK-ABAIWWIYSA-N 1 0 320.349 1.551 20 5 DDBDRO C[C@H](CNC(=O)CCNc1ccccc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000052641423 352621214 /nfs/dbraw/zinc/62/12/14/352621214.db2.gz BXRHUFDQAYFTSS-CYBMUJFWSA-N 1 0 320.393 1.997 20 5 DDBDRO CCCC[N@H+](CCO)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000060478305 352874118 /nfs/dbraw/zinc/87/41/18/352874118.db2.gz GDRARNLCCGADTO-AWEZNQCLSA-N 1 0 312.366 1.429 20 5 DDBDRO CC(C)[N@H+](C)CC1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000064739142 352943561 /nfs/dbraw/zinc/94/35/61/352943561.db2.gz CGYXKSNFVCIGQX-UHFFFAOYSA-N 1 0 323.397 1.370 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000068468541 353114199 /nfs/dbraw/zinc/11/41/99/353114199.db2.gz ROZRPCDTRKAWNI-CYBMUJFWSA-N 1 0 321.381 1.187 20 5 DDBDRO C[NH+](C)C/C=C\C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000491861390 234317800 /nfs/dbraw/zinc/31/78/00/234317800.db2.gz AMLVKVMXTDCNHG-VSQXVHSFSA-N 1 0 319.365 1.120 20 5 DDBDRO Cc1cc(NC[C@H](C(C)C)[NH+]2CCN(C)CC2)ncc1[N+](=O)[O-] ZINC000073000320 353231352 /nfs/dbraw/zinc/23/13/52/353231352.db2.gz JIBQCRMLVQKSCB-CQSZACIVSA-N 1 0 321.425 1.982 20 5 DDBDRO O=C(CN1CC[C@@H](CO)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000174705467 198373243 /nfs/dbraw/zinc/37/32/43/198373243.db2.gz CTWDBUBROAVZIN-SECBINFHSA-N 1 0 313.741 1.501 20 5 DDBDRO C[C@H](c1ccccc1F)[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174738164 198378631 /nfs/dbraw/zinc/37/86/31/198378631.db2.gz MHADJYQXKOJFQJ-YPMHNXCESA-N 1 0 322.340 1.984 20 5 DDBDRO Cc1nn(C)c(NC2CCN(CC[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000079884813 353580648 /nfs/dbraw/zinc/58/06/48/353580648.db2.gz YVKMGJKJPZEDMB-UHFFFAOYSA-N 1 0 310.402 1.075 20 5 DDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000108299434 353949634 /nfs/dbraw/zinc/94/96/34/353949634.db2.gz IZGNSAOMMZAHLV-AWEZNQCLSA-N 1 0 303.362 1.738 20 5 DDBDRO CC[C@@H](CO)[NH+]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000093739809 353904482 /nfs/dbraw/zinc/90/44/82/353904482.db2.gz GHIUXUQVNRVYPE-YERXGYGTSA-N 1 0 319.405 1.997 20 5 DDBDRO CC[C@@H]1CN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000122642688 354027152 /nfs/dbraw/zinc/02/71/52/354027152.db2.gz BWNXOFHTKQEBPM-MNOVXSKESA-N 1 0 313.379 1.343 20 5 DDBDRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000320806225 354529485 /nfs/dbraw/zinc/52/94/85/354529485.db2.gz CZNBQZIEFAHANV-GZMMTYOYSA-N 1 0 310.329 1.481 20 5 DDBDRO CC(C)(C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000320972202 354530319 /nfs/dbraw/zinc/53/03/19/354530319.db2.gz KHDLSBYJKIKFTR-OAHLLOKOSA-N 1 0 318.377 1.720 20 5 DDBDRO COC[C@@H](C)OC[C@@H](O)C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000319763481 354523299 /nfs/dbraw/zinc/52/32/99/354523299.db2.gz QJOPVSBWLQNYOX-RISCZKNCSA-N 1 0 312.366 1.405 20 5 DDBDRO Nc1cc(N2CC[C@H]([NH+]3CCCCC3)C2)cc(CO)c1[N+](=O)[O-] ZINC000587973472 354888137 /nfs/dbraw/zinc/88/81/37/354888137.db2.gz KJAYWKHHPFTSQZ-ZDUSSCGKSA-N 1 0 320.393 1.734 20 5 DDBDRO C[C@H](NC(=O)c1c[nH]nc1[N+](=O)[O-])[C@@H](c1ccccc1)[NH+](C)C ZINC000588683516 354928215 /nfs/dbraw/zinc/92/82/15/354928215.db2.gz KTJAEZAPSSJIGT-GWCFXTLKSA-N 1 0 317.349 1.739 20 5 DDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000588838648 354940975 /nfs/dbraw/zinc/94/09/75/354940975.db2.gz XHSOQWCGNKXCOZ-VXGBXAGGSA-N 1 0 309.370 1.029 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@]1(C)CCO[C@H]1C ZINC000494252580 235012280 /nfs/dbraw/zinc/01/22/80/235012280.db2.gz ZBGIULMSGHNTNZ-NHYWBVRUSA-N 1 0 307.350 1.999 20 5 DDBDRO CN(C(=O)CN1CC[C@H]2C[N@H+](C)C[C@@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000590012327 355040717 /nfs/dbraw/zinc/04/07/17/355040717.db2.gz QWZXLAMFDMQCFV-WFASDCNBSA-N 1 0 318.377 1.194 20 5 DDBDRO COC(=O)c1cc(C)nc(N2CC[C@H]([NH+](C)C)[C@H]2C)c1[N+](=O)[O-] ZINC000590568143 355115751 /nfs/dbraw/zinc/11/57/51/355115751.db2.gz AZBXAKVCZPKTHY-PWSUYJOCSA-N 1 0 322.365 1.614 20 5 DDBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000590589572 355122470 /nfs/dbraw/zinc/12/24/70/355122470.db2.gz PFNTTWIFGWSBMV-MFKMUULPSA-N 1 0 313.379 1.308 20 5 DDBDRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000590442263 355096347 /nfs/dbraw/zinc/09/63/47/355096347.db2.gz FCGFGKYRIZNOIE-CABZTGNLSA-N 1 0 319.317 1.100 20 5 DDBDRO C[N@@H+]1C[C@@H]2CCN(C(=O)COc3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000590443440 355097176 /nfs/dbraw/zinc/09/71/76/355097176.db2.gz IRCCTHOBQYUGRL-SMDDNHRTSA-N 1 0 305.334 1.136 20 5 DDBDRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC000590446620 355099672 /nfs/dbraw/zinc/09/96/72/355099672.db2.gz TYJAIVXHGVBAHF-HZMBPMFUSA-N 1 0 314.345 1.852 20 5 DDBDRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000590446351 355099793 /nfs/dbraw/zinc/09/97/93/355099793.db2.gz UTPAZNMRFOSNOL-FZMZJTMJSA-N 1 0 321.402 1.849 20 5 DDBDRO CC[C@@H]1[C@H](CO)CC[N@@H+]1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000590655919 355138874 /nfs/dbraw/zinc/13/88/74/355138874.db2.gz MZFNRPSVYUMKFS-WCQYABFASA-N 1 0 322.361 1.959 20 5 DDBDRO CCC1(C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)COC1 ZINC000590661318 355139622 /nfs/dbraw/zinc/13/96/22/355139622.db2.gz JJDSSLFSSVQBPA-UHFFFAOYSA-N 1 0 308.334 1.882 20 5 DDBDRO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CC[C@H](CCCO)C1)OCCO2 ZINC000590663761 355139957 /nfs/dbraw/zinc/13/99/57/355139957.db2.gz CWIJRBZSRBDYAU-LBPRGKRZSA-N 1 0 322.361 1.960 20 5 DDBDRO COc1ccc(CNC(=O)N2CCC(C)([NH3+])CC2)cc1[N+](=O)[O-] ZINC000591346330 355293505 /nfs/dbraw/zinc/29/35/05/355293505.db2.gz HFTXEQZPUZCNQE-UHFFFAOYSA-N 1 0 322.365 1.626 20 5 DDBDRO CC[NH2+]CCCNC(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000591346361 355294336 /nfs/dbraw/zinc/29/43/36/355294336.db2.gz ZVOCWMQBGQPBEL-UHFFFAOYSA-N 1 0 310.354 1.402 20 5 DDBDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000591351674 355295659 /nfs/dbraw/zinc/29/56/59/355295659.db2.gz OMXPOIPBPCOEQN-VXGBXAGGSA-N 1 0 322.365 1.543 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000591291890 355281169 /nfs/dbraw/zinc/28/11/69/355281169.db2.gz GSXVPAKUPJXEBF-NSHDSACASA-N 1 0 320.349 1.100 20 5 DDBDRO Cc1cccc([C@H](C)C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000591742652 355375694 /nfs/dbraw/zinc/37/56/94/355375694.db2.gz NZMNJVXQNOOLIP-CJNGLKHVSA-N 1 0 318.377 1.854 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H]2CCOC3(CCCC3)C2)c1 ZINC000591756000 355377819 /nfs/dbraw/zinc/37/78/19/355377819.db2.gz IKKPGZURRNPYKQ-JSGCOSHPSA-N 1 0 324.381 1.234 20 5 DDBDRO CO[C@@H]1CCC[C@H]1C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000591758197 355378825 /nfs/dbraw/zinc/37/88/25/355378825.db2.gz AUHSTLFZHWXLHA-DUVNUKRYSA-N 1 0 324.377 1.739 20 5 DDBDRO Cc1ccnc(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000591767754 355380841 /nfs/dbraw/zinc/38/08/41/355380841.db2.gz FMVHXVHBXWWUKI-HNNXBMFYSA-N 1 0 317.345 1.828 20 5 DDBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000592215193 355541939 /nfs/dbraw/zinc/54/19/39/355541939.db2.gz ZEUPPGHNSULBCB-QWRGUYRKSA-N 1 0 310.354 1.399 20 5 DDBDRO O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000592243068 355545799 /nfs/dbraw/zinc/54/57/99/355545799.db2.gz FJYMNRXZDOUKJT-UHFFFAOYSA-N 1 0 320.349 1.301 20 5 DDBDRO O=c1c2cc([N+](=O)[O-])ccc2ncn1CCC1CC[NH2+]CC1 ZINC000592156661 355521206 /nfs/dbraw/zinc/52/12/06/355521206.db2.gz PLNRHCUJYNTYGV-UHFFFAOYSA-N 1 0 302.334 1.694 20 5 DDBDRO C[NH+]1CCC2(CC1)CN(Cc1cccc([N+](=O)[O-])c1)CCO2 ZINC000592183739 355528121 /nfs/dbraw/zinc/52/81/21/355528121.db2.gz WDOVYRURUXJOQS-UHFFFAOYSA-N 1 0 305.378 1.891 20 5 DDBDRO COc1ccc(OCCN2CC[NH2+][C@@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000592484925 355596387 /nfs/dbraw/zinc/59/63/87/355596387.db2.gz ITXOCNGYSSLIDQ-CQSZACIVSA-N 1 0 323.393 1.912 20 5 DDBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000592530427 355616689 /nfs/dbraw/zinc/61/66/89/355616689.db2.gz WXLRTENTFZPQFG-YUELXQCFSA-N 1 0 303.362 1.784 20 5 DDBDRO Cc1ccc(NCCCNC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)c([N+](=O)[O-])c1 ZINC000592534880 355620376 /nfs/dbraw/zinc/62/03/76/355620376.db2.gz MLWYGYMREWHJTM-BNOWGMLFSA-N 1 0 318.377 1.572 20 5 DDBDRO Cn1c(C(=O)N2CCc3ccccc3[C@@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000592566943 355631185 /nfs/dbraw/zinc/63/11/85/355631185.db2.gz FHTFARRMGOGJOJ-AWEZNQCLSA-N 1 0 314.345 1.632 20 5 DDBDRO CCCN(C(=O)CNc1ccccc1[N+](=O)[O-])[C@H]1CC[N@H+](C)C1 ZINC000592831323 355707311 /nfs/dbraw/zinc/70/73/11/355707311.db2.gz KSRDFPWAWNACLA-ZDUSSCGKSA-N 1 0 320.393 1.949 20 5 DDBDRO CN(CCn1cc([N+](=O)[O-])ccc1=O)CC[NH+]1CCCCC1 ZINC000593111754 355803012 /nfs/dbraw/zinc/80/30/12/355803012.db2.gz IPXJUXFEABIRLC-UHFFFAOYSA-N 1 0 308.382 1.174 20 5 DDBDRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000594105395 356114053 /nfs/dbraw/zinc/11/40/53/356114053.db2.gz ARZKFILRHCVWFJ-AOOOYVTPSA-N 1 0 321.333 1.394 20 5 DDBDRO CN(CC(=O)NCC1CC[NH+](C)CC1)c1ccccc1[N+](=O)[O-] ZINC000079893510 191983875 /nfs/dbraw/zinc/98/38/75/191983875.db2.gz WPVIRTCRBDTNKJ-UHFFFAOYSA-N 1 0 320.393 1.489 20 5 DDBDRO Cn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)n1 ZINC000594198978 356138045 /nfs/dbraw/zinc/13/80/45/356138045.db2.gz WXAPPBXZEBOZSJ-QWRGUYRKSA-N 1 0 307.354 1.075 20 5 DDBDRO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])[nH]1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000594403219 356198695 /nfs/dbraw/zinc/19/86/95/356198695.db2.gz NMMRERSDGRKFHV-GARJFASQSA-N 1 0 310.354 1.150 20 5 DDBDRO CO[C@@](C)(CO)CNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000594588667 356257392 /nfs/dbraw/zinc/25/73/92/356257392.db2.gz ICMKPHLSCNAMCU-OAHLLOKOSA-N 1 0 305.334 1.683 20 5 DDBDRO COc1cc(C[NH2+][C@@H]2C[C@H](O)C23CCC3)c([N+](=O)[O-])cc1O ZINC000594985856 356368619 /nfs/dbraw/zinc/36/86/19/356368619.db2.gz AYIMBLUQARFXTN-KGLIPLIRSA-N 1 0 308.334 1.702 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](C)[C@H]1CN(C)CCO1 ZINC000595022522 356373731 /nfs/dbraw/zinc/37/37/31/356373731.db2.gz MINHXMKUNGBZOP-HWWQOWPSSA-N 1 0 323.393 1.973 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCN1CCCC1=O ZINC000595044807 356376187 /nfs/dbraw/zinc/37/61/87/356376187.db2.gz FDWSKKLCWQLIAK-NSHDSACASA-N 1 0 307.350 1.876 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000595242021 356415098 /nfs/dbraw/zinc/41/50/98/356415098.db2.gz JCGZWBCJIQGPRC-UHFFFAOYSA-N 1 0 320.349 1.229 20 5 DDBDRO Cc1ccc(NC(=O)C(=O)N(C)CC(C)(C)[NH3+])cc1[N+](=O)[O-] ZINC000595240872 356415305 /nfs/dbraw/zinc/41/53/05/356415305.db2.gz WLZDQEYQZUAXTP-UHFFFAOYSA-N 1 0 308.338 1.037 20 5 DDBDRO CC[NH+]1CCN([C@@H]2CCN(Cc3onc(C)c3[N+](=O)[O-])C2)CC1 ZINC000595315302 356446980 /nfs/dbraw/zinc/44/69/80/356446980.db2.gz ZYQJMFIVSKJVLR-CYBMUJFWSA-N 1 0 323.397 1.103 20 5 DDBDRO Cc1nn(C)c(C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000177562298 198746355 /nfs/dbraw/zinc/74/63/55/198746355.db2.gz VCXHOQUJMXJPHR-GHMZBOCLSA-N 1 0 309.370 1.239 20 5 DDBDRO CNC(=O)[C@@H](C)C[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000081579335 192295923 /nfs/dbraw/zinc/29/59/23/192295923.db2.gz VVPQGLAFBZTBPJ-NSHDSACASA-N 1 0 322.365 1.237 20 5 DDBDRO C[C@H]([NH2+][C@H]1C[C@@H](O)C12CCC2)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000595779212 356648897 /nfs/dbraw/zinc/64/88/97/356648897.db2.gz APXJTVPARBEPQN-LEWSCRJBSA-N 1 0 319.361 1.815 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCC2(COC2)C1 ZINC000595835712 356671482 /nfs/dbraw/zinc/67/14/82/356671482.db2.gz XBKCYAWIPLJJGY-LBPRGKRZSA-N 1 0 308.334 1.057 20 5 DDBDRO Cn1nc([N+](=O)[O-])cc1-c1nc(-c2ccn3c[nH+]cc3c2)no1 ZINC000347192724 283203790 /nfs/dbraw/zinc/20/37/90/283203790.db2.gz DOVXZFWTNOLBJF-UHFFFAOYSA-N 1 0 311.261 1.693 20 5 DDBDRO COC(=O)c1cc(C(=O)NCC[C@@H]([NH3+])C(C)C)cc([N+](=O)[O-])c1 ZINC000595952036 356720395 /nfs/dbraw/zinc/72/03/95/356720395.db2.gz WHSFNODCNDJOCQ-CYBMUJFWSA-N 1 0 323.349 1.485 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NCC1([NH3+])CCCC1 ZINC000595967427 356728618 /nfs/dbraw/zinc/72/86/18/356728618.db2.gz SCAAPPMNBOXVQX-UHFFFAOYSA-N 1 0 307.350 1.995 20 5 DDBDRO C[NH2+]C[C@H](C)NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000595982246 356734698 /nfs/dbraw/zinc/73/46/98/356734698.db2.gz CODWQUJGLIFRGE-LBPRGKRZSA-N 1 0 320.393 1.535 20 5 DDBDRO CC[NH+]1CCC(N(C)c2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000596072203 356762089 /nfs/dbraw/zinc/76/20/89/356762089.db2.gz ZMONLFBLBOPYMF-UHFFFAOYSA-N 1 0 306.366 1.614 20 5 DDBDRO CC[NH+]1CCN(CCNc2cc(OC)c(C)cc2[N+](=O)[O-])CC1 ZINC000596073591 356762511 /nfs/dbraw/zinc/76/25/11/356762511.db2.gz NGYBTXHIFJEYMA-UHFFFAOYSA-N 1 0 322.409 1.961 20 5 DDBDRO Cc1nn(C)c(N2CCC([N@@H+]3CCCOCC3)CC2)c1[N+](=O)[O-] ZINC000596269341 356838722 /nfs/dbraw/zinc/83/87/22/356838722.db2.gz RPHUZBGNFIWJCZ-UHFFFAOYSA-N 1 0 323.397 1.328 20 5 DDBDRO O=[N+]([O-])c1cnc(N2CCC(CO)([NH2+]CC3CC3)CC2)c(F)c1 ZINC000596266843 356839060 /nfs/dbraw/zinc/83/90/60/356839060.db2.gz WYVVRXWPEOPTQW-UHFFFAOYSA-N 1 0 324.356 1.460 20 5 DDBDRO COc1cc(OCC(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000237225976 202195542 /nfs/dbraw/zinc/19/55/42/202195542.db2.gz JHRVOPLUIPHMGD-MNOVXSKESA-N 1 0 323.349 1.191 20 5 DDBDRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000597699616 357291135 /nfs/dbraw/zinc/29/11/35/357291135.db2.gz KSHCYEWSKXOUGT-GXFFZTMASA-N 1 0 309.341 1.827 20 5 DDBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000597701600 357292241 /nfs/dbraw/zinc/29/22/41/357292241.db2.gz VBPNOEWTJVDKSX-ONGXEEELSA-N 1 0 321.333 1.488 20 5 DDBDRO CCN(C(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-])[C@H]1CC[N@H+](C)C1 ZINC000597946004 357393659 /nfs/dbraw/zinc/39/36/59/357393659.db2.gz MKQIXAHPBPAMNO-JTQLQIEISA-N 1 0 309.370 1.608 20 5 DDBDRO CCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000598342334 357545590 /nfs/dbraw/zinc/54/55/90/357545590.db2.gz MDOCILWLKDQCNA-NSHDSACASA-N 1 0 309.370 1.127 20 5 DDBDRO CCC[N@@H+]1CC[C@H](NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000598342782 357545923 /nfs/dbraw/zinc/54/59/23/357545923.db2.gz QDEVTLBGHGNAMX-NSHDSACASA-N 1 0 321.333 1.538 20 5 DDBDRO O=C(Cn1ccc([N+](=O)[O-])n1)NCC1CC[NH+](CC2CC2)CC1 ZINC000598537634 357625185 /nfs/dbraw/zinc/62/51/85/357625185.db2.gz KQISIWYXENFELW-UHFFFAOYSA-N 1 0 321.381 1.030 20 5 DDBDRO CN(C[C@H](O)C[NH3+])C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000598914010 357757072 /nfs/dbraw/zinc/75/70/72/357757072.db2.gz UWQSEWQWHJMHNQ-MRVPVSSYSA-N 1 0 302.718 1.032 20 5 DDBDRO CC(C)[C@H]1C[NH2+]CCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000599106038 357817452 /nfs/dbraw/zinc/81/74/52/357817452.db2.gz UCQSFVDXORLFPM-SECBINFHSA-N 1 0 319.408 1.275 20 5 DDBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)CC1(C)COC1 ZINC000599571755 357979262 /nfs/dbraw/zinc/97/92/62/357979262.db2.gz ULTOUURXPKGKJV-NSHDSACASA-N 1 0 307.350 1.890 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000599591494 357985150 /nfs/dbraw/zinc/98/51/50/357985150.db2.gz UXEFSSXJIUOANJ-VHSXEESVSA-N 1 0 308.338 1.865 20 5 DDBDRO C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000599625487 357996801 /nfs/dbraw/zinc/99/68/01/357996801.db2.gz MHESYJLWLJYMTL-JBBSTSQOSA-N 1 0 321.377 1.959 20 5 DDBDRO C[NH2+]CCN(C)C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000237274473 202213151 /nfs/dbraw/zinc/21/31/51/202213151.db2.gz XEOTVEWJKGGUHV-UHFFFAOYSA-N 1 0 315.757 1.695 20 5 DDBDRO Cn1cc(C[N@@H+]2CC[C@@](C)(O)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000180184296 199127397 /nfs/dbraw/zinc/12/73/97/199127397.db2.gz KGXZNPNSUZEACJ-MRXNPFEDSA-N 1 0 316.361 1.952 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000600473145 358234654 /nfs/dbraw/zinc/23/46/54/358234654.db2.gz RXWLVDIBCCQWHH-GFCCVEGCSA-N 1 0 306.366 1.680 20 5 DDBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1COCCN1 ZINC000600677559 358280462 /nfs/dbraw/zinc/28/04/62/358280462.db2.gz FPBIFGLHXHQQFA-BPUTZDHNSA-N 1 0 319.405 1.884 20 5 DDBDRO CCN(CC[NH3+])Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000600774538 358312212 /nfs/dbraw/zinc/31/22/12/358312212.db2.gz LANZNMREJYDEOP-UHFFFAOYSA-N 1 0 303.366 1.776 20 5 DDBDRO CN(CC[NH+]1CCCC1)c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601113429 358407683 /nfs/dbraw/zinc/40/76/83/358407683.db2.gz GDZIWBVAEPRQRW-UHFFFAOYSA-N 1 0 321.303 1.879 20 5 DDBDRO C[NH+]1CCC(N2CC[C@@H](Nc3ncc(F)cc3[N+](=O)[O-])C2)CC1 ZINC000601115795 358408101 /nfs/dbraw/zinc/40/81/01/358408101.db2.gz CGRJFHYSYGVUMG-GFCCVEGCSA-N 1 0 323.372 1.709 20 5 DDBDRO C[C@@H]1C[N@H+](CCO)CCN1c1ccnc2ccc([N+](=O)[O-])cc21 ZINC000601172728 358432299 /nfs/dbraw/zinc/43/22/99/358432299.db2.gz HOACFGCBXCGJGP-GFCCVEGCSA-N 1 0 316.361 1.646 20 5 DDBDRO C[C@H](C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)[NH+](C)C ZINC000602105007 358815435 /nfs/dbraw/zinc/81/54/35/358815435.db2.gz IZTMLBAGCALGEA-GFCCVEGCSA-N 1 0 321.377 1.915 20 5 DDBDRO C[N@@H+]1CC[C@@H](CC(=O)NCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000602043316 358788996 /nfs/dbraw/zinc/78/89/96/358788996.db2.gz CUJZMUSWSFVUNI-LBPRGKRZSA-N 1 0 306.366 1.465 20 5 DDBDRO CO[C@@H]1C[NH2+][C@@](C)(C(=O)N(C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000602444544 358980292 /nfs/dbraw/zinc/98/02/92/358980292.db2.gz PCJSAIXLTNEXJQ-SWLSCSKDSA-N 1 0 307.350 1.320 20 5 DDBDRO C[C@@H]1C[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CO1 ZINC000602705079 359136214 /nfs/dbraw/zinc/13/62/14/359136214.db2.gz ZOTGZAIQVOKGEK-DGCLKSJQSA-N 1 0 306.366 1.726 20 5 DDBDRO C[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C1(CO)CC1 ZINC000602706648 359137035 /nfs/dbraw/zinc/13/70/35/359137035.db2.gz GUDWFYMSOVWXLY-LBPRGKRZSA-N 1 0 320.393 1.709 20 5 DDBDRO CO[C@H]1C[C@@H](C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000602731220 359153852 /nfs/dbraw/zinc/15/38/52/359153852.db2.gz STVXNDRXUGGHAP-JNSHFYNHSA-N 1 0 320.393 1.973 20 5 DDBDRO C[C@@H]1OCC[C@@H]1C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000602792801 359194886 /nfs/dbraw/zinc/19/48/86/359194886.db2.gz COOYBKKAGPOJKV-XQQFMLRXSA-N 1 0 306.366 1.901 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@H]1[C@H]1CCCOC1 ZINC000602851684 359239208 /nfs/dbraw/zinc/23/92/08/359239208.db2.gz CAFQMLHOOUUXRD-KBPBESRZSA-N 1 0 308.382 1.991 20 5 DDBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H](O)C[C@@](C)(O)C1CC1 ZINC000602821805 359215911 /nfs/dbraw/zinc/21/59/11/359215911.db2.gz ACWYRPRIPKJFLL-IAGOWNOFSA-N 1 0 322.405 1.981 20 5 DDBDRO C[C@]1(CO)C[C@H](O)C[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000602899318 359281159 /nfs/dbraw/zinc/28/11/59/359281159.db2.gz PNCNHHNHGNOMIP-DZGCQCFKSA-N 1 0 310.350 1.181 20 5 DDBDRO CCO[C@@H]1C[C@]([NH3+])(C(=O)NCc2ccccc2[N+](=O)[O-])C1(C)C ZINC000186736507 200000633 /nfs/dbraw/zinc/00/06/33/200000633.db2.gz SBUYMKNSCYIPBS-CJNGLKHVSA-N 1 0 321.377 1.744 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2C[C@@H]([NH+](C)C)C2(C)C)n1 ZINC000603405046 359620591 /nfs/dbraw/zinc/62/05/91/359620591.db2.gz GGNPWHILHRZWIJ-VXGBXAGGSA-N 1 0 322.365 1.917 20 5 DDBDRO Cn1cc(CN2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)c([N+](=O)[O-])n1 ZINC000603429704 359634633 /nfs/dbraw/zinc/63/46/33/359634633.db2.gz PHURJHUKGGHWEX-UONOGXRCSA-N 1 0 323.397 1.047 20 5 DDBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000187895591 200172623 /nfs/dbraw/zinc/17/26/23/200172623.db2.gz VRNPPSCALFNFOO-LBPRGKRZSA-N 1 0 320.393 1.981 20 5 DDBDRO C[C@H](C[NH3+])CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000237581774 202291776 /nfs/dbraw/zinc/29/17/76/202291776.db2.gz MPNQQEKPAQQVGY-SNVBAGLBSA-N 1 0 303.322 1.105 20 5 DDBDRO Cc1c(C(=O)N2CC[C@H]([NH3+])C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000237766212 202349000 /nfs/dbraw/zinc/34/90/00/202349000.db2.gz MKUIDCKAMJROQQ-VIFPVBQESA-N 1 0 308.294 1.293 20 5 DDBDRO CC(C)[N@H+](CCO)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000188876102 200315142 /nfs/dbraw/zinc/31/51/42/200315142.db2.gz GGPYFWREKAZULJ-UHFFFAOYSA-N 1 0 313.329 1.765 20 5 DDBDRO O=[N+]([O-])c1ncccc1N1CC[NH+](CC2CCOCC2)CC1 ZINC000609894320 360362385 /nfs/dbraw/zinc/36/23/85/360362385.db2.gz LZTWUHJWUYLBGE-UHFFFAOYSA-N 1 0 306.366 1.538 20 5 DDBDRO CC(C)(CO)[NH+]1CCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000609845971 360355549 /nfs/dbraw/zinc/35/55/49/360355549.db2.gz QIXNJKDTBWIEQN-UHFFFAOYSA-N 1 0 311.357 1.622 20 5 DDBDRO O=C(CC[N@@H+]1CCc2c[nH]nc2C1)Nc1ccccc1[N+](=O)[O-] ZINC000611008633 360599460 /nfs/dbraw/zinc/59/94/60/360599460.db2.gz FFDSUVXDHAPYAL-UHFFFAOYSA-N 1 0 315.333 1.705 20 5 DDBDRO CC[N@@H+]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H]1C ZINC000611092458 360621748 /nfs/dbraw/zinc/62/17/48/360621748.db2.gz UQRMQOSOMUEWKW-NSHDSACASA-N 1 0 306.366 1.220 20 5 DDBDRO Cn1cc([N+](=O)[O-])c(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)n1 ZINC000611335098 360700316 /nfs/dbraw/zinc/70/03/16/360700316.db2.gz QSBCPMSTQKUPBW-UHFFFAOYSA-N 1 0 313.277 1.161 20 5 DDBDRO CC(C)[NH2+][C@@H]1CCCN(C(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000611597554 360774182 /nfs/dbraw/zinc/77/41/82/360774182.db2.gz RYGUBTSEHLFRSS-LLVKDONJSA-N 1 0 307.354 1.406 20 5 DDBDRO CN(CCC[NH+]1CCCC1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000281335042 216230767 /nfs/dbraw/zinc/23/07/67/216230767.db2.gz MCTZUEDUYGXNJH-UHFFFAOYSA-N 1 0 320.393 1.611 20 5 DDBDRO Cc1cc(NCCc2nnnn2C)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000611931079 360861910 /nfs/dbraw/zinc/86/19/10/360861910.db2.gz PUYUFMJDKYSGFM-UHFFFAOYSA-N 1 0 313.321 1.051 20 5 DDBDRO C[C@H]([NH3+])CCC(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000193317809 201028277 /nfs/dbraw/zinc/02/82/77/201028277.db2.gz OXEBWUBDIWYUDM-WDEREUQCSA-N 1 0 307.354 1.130 20 5 DDBDRO CCC[NH+](CCC)CCCNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000193537621 201071539 /nfs/dbraw/zinc/07/15/39/201071539.db2.gz ITQPAEFVMJXGML-UHFFFAOYSA-N 1 0 324.381 1.937 20 5 DDBDRO CC[C@H]1C[N@H+](C)CCCN1C(=O)c1cc([N+](=O)[O-])cnc1C ZINC000619578935 364070932 /nfs/dbraw/zinc/07/09/32/364070932.db2.gz UZDOEUORQHKZIL-LBPRGKRZSA-N 1 0 306.366 1.855 20 5 DDBDRO Cc1cc(C(=O)N2CCC[C@](O)(C[NH+](C)C)C2)cc([N+](=O)[O-])c1 ZINC000619574287 364067202 /nfs/dbraw/zinc/06/72/02/364067202.db2.gz NSPSMQIVEXZDNE-INIZCTEOSA-N 1 0 321.377 1.432 20 5 DDBDRO O=C1NC[C@@H]2[C@H]1CCCN2Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000619622702 364092199 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DDBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)CC[NH3+])cc1SC ZINC000349972502 284123786 /nfs/dbraw/zinc/12/37/86/284123786.db2.gz ZRVHLXYQMYWPSC-MRVPVSSYSA-N 1 0 313.379 1.792 20 5 DDBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359293529 299399899 /nfs/dbraw/zinc/39/98/99/299399899.db2.gz VKRSDRBIKFKQCH-SDDRHHMPSA-N 1 0 304.350 1.073 20 5 DDBDRO Cc1nn(C)cc1C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000093534235 193266083 /nfs/dbraw/zinc/26/60/83/193266083.db2.gz BLVZKPAZVVMCHV-ZDUSSCGKSA-N 1 0 316.365 1.718 20 5 DDBDRO CC[N@@H+]1CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000264633050 204041602 /nfs/dbraw/zinc/04/16/02/204041602.db2.gz OIJHSSFBYWOJDS-UHFFFAOYSA-N 1 0 310.329 1.484 20 5 DDBDRO COCC[N@@H+]1CC[C@H](NC(=O)c2cccc(C)c2[N+](=O)[O-])C1 ZINC000264591767 204015812 /nfs/dbraw/zinc/01/58/12/204015812.db2.gz WENAZKIYCPOVTB-LBPRGKRZSA-N 1 0 307.350 1.354 20 5 DDBDRO C[C@@H](CC[NH+](C)C)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000264918061 204267271 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CCS(=O)(=O)C[C@H](C)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000579493550 422779939 /nfs/dbraw/zinc/77/99/39/422779939.db2.gz MGRUOAQOXRQWFE-GWCFXTLKSA-N 1 0 312.391 1.995 20 5 DDBDRO COCC[N@@H+]1CC[C@@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000267998223 206385085 /nfs/dbraw/zinc/38/50/85/206385085.db2.gz ULCWXUVLZJZGPS-CQSZACIVSA-N 1 0 321.377 1.364 20 5 DDBDRO COCCN(CC[NH+](C)C)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000267962672 206361718 /nfs/dbraw/zinc/36/17/18/206361718.db2.gz DERCQPMXSKUHEP-UHFFFAOYSA-N 1 0 323.393 1.564 20 5 DDBDRO CC(C)[C@@H](CCO)[NH2+][C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000274072484 211330042 /nfs/dbraw/zinc/33/00/42/211330042.db2.gz RMMPREQZRSSLOF-VXGBXAGGSA-N 1 0 309.366 1.918 20 5 DDBDRO Cn1nccc1CC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000338546992 250025567 /nfs/dbraw/zinc/02/55/67/250025567.db2.gz PXUKNRUXCKGBFZ-GFCCVEGCSA-N 1 0 316.365 1.452 20 5 DDBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000288594436 220270908 /nfs/dbraw/zinc/27/09/08/220270908.db2.gz YEZCUAIJQYNCKY-ZYHUDNBSSA-N 1 0 320.349 1.394 20 5 DDBDRO COc1cc(C(=O)NC[C@@H]2CCC[NH2+]2)cc([N+](=O)[O-])c1OC ZINC000269152255 207278394 /nfs/dbraw/zinc/27/83/94/207278394.db2.gz QHOUMSRZCJUXCQ-JTQLQIEISA-N 1 0 309.322 1.094 20 5 DDBDRO Cc1c(C(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000269205954 207324484 /nfs/dbraw/zinc/32/44/84/207324484.db2.gz LXKKYYONYDADEC-PRHODGIISA-N 1 0 322.321 1.621 20 5 DDBDRO C[C@H](NC(=O)CN(C)c1ccccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000269220429 207340286 /nfs/dbraw/zinc/34/02/86/207340286.db2.gz SESODGJQQUNSRU-QWHCGFSZSA-N 1 0 320.393 1.535 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)c1 ZINC000269243678 207373125 /nfs/dbraw/zinc/37/31/25/207373125.db2.gz YCISFPBIXRDNQF-QWRGUYRKSA-N 1 0 307.350 1.721 20 5 DDBDRO COc1cc(C(=O)NC[C@H]([NH3+])C(C)C)c([N+](=O)[O-])cc1OC ZINC000269296375 207438103 /nfs/dbraw/zinc/43/81/03/207438103.db2.gz VZZJHSYWIIOCSN-JTQLQIEISA-N 1 0 311.338 1.325 20 5 DDBDRO COC1([C@H](C)[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CCC1 ZINC000412021940 533029262 /nfs/dbraw/zinc/02/92/62/533029262.db2.gz OEQYWLFVUVQSGO-STQMWFEESA-N 1 0 324.377 1.882 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)[C@@H](C[NH3+])C1CC1 ZINC000359907720 299562163 /nfs/dbraw/zinc/56/21/63/299562163.db2.gz GXBUKNUQYMVPLA-ZDUSSCGKSA-N 1 0 322.365 1.211 20 5 DDBDRO COc1cc(C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC000158233298 197255349 /nfs/dbraw/zinc/25/53/49/197255349.db2.gz XANFWUZTAAFYRN-OAHLLOKOSA-N 1 0 305.334 1.429 20 5 DDBDRO COCCOC[C@@H](O)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000294887106 533109579 /nfs/dbraw/zinc/10/95/79/533109579.db2.gz CQZMAJFVUMBAGI-JSGCOSHPSA-N 1 0 312.366 1.578 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000425069416 533134641 /nfs/dbraw/zinc/13/46/41/533134641.db2.gz VBVIGHCVOGLDOP-SMDDNHRTSA-N 1 0 319.361 1.770 20 5 DDBDRO CC[N@@H+]1CCN(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@@H](C)C1 ZINC000352670847 285213759 /nfs/dbraw/zinc/21/37/59/285213759.db2.gz GXGNJBGSUSHJKV-ZDUSSCGKSA-N 1 0 320.393 1.868 20 5 DDBDRO COCCCOCC[N@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000271603980 209051543 /nfs/dbraw/zinc/05/15/43/209051543.db2.gz UFINQDWZAMUVMJ-OAHLLOKOSA-N 1 0 312.366 1.613 20 5 DDBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](c2nc(=O)[nH][nH]2)C1 ZINC000289487168 221011846 /nfs/dbraw/zinc/01/18/46/221011846.db2.gz SGSYDSXLJWGPLF-MNOVXSKESA-N 1 0 317.349 1.947 20 5 DDBDRO O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)[C@@H]1CCC[NH2+]C1 ZINC000289766918 221212074 /nfs/dbraw/zinc/21/20/74/221212074.db2.gz IHBFCLYXJDTLRT-LLVKDONJSA-N 1 0 315.333 1.923 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000414661060 533227945 /nfs/dbraw/zinc/22/79/45/533227945.db2.gz WNZHIPPUIXIRNN-KOLCDFICSA-N 1 0 308.338 1.723 20 5 DDBDRO C[NH+](C)CCCNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000121821479 195355929 /nfs/dbraw/zinc/35/59/29/195355929.db2.gz XBLYCWDKJHCDOM-UHFFFAOYSA-N 1 0 304.350 1.687 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC([NH+](C)C)CC1 ZINC000127861915 195916332 /nfs/dbraw/zinc/91/63/32/195916332.db2.gz KHDHSBIKEZEJSQ-UHFFFAOYSA-N 1 0 320.393 1.868 20 5 DDBDRO COCCCC[N@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000419385719 533252052 /nfs/dbraw/zinc/25/20/52/533252052.db2.gz LMIBHYBKDZSLIU-UHFFFAOYSA-N 1 0 321.377 1.842 20 5 DDBDRO COc1cc(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc([N+](=O)[O-])c1C ZINC000422758088 533529396 /nfs/dbraw/zinc/52/93/96/533529396.db2.gz KFAHEWKXWJKRSF-FUNVUKJBSA-N 1 0 319.361 1.925 20 5 DDBDRO COc1cc(C(=O)N2CCCC[C@H]2C[NH3+])cc([N+](=O)[O-])c1C ZINC000422760464 533518136 /nfs/dbraw/zinc/51/81/36/533518136.db2.gz LUEXWXIUZVXXPZ-LBPRGKRZSA-N 1 0 307.350 1.865 20 5 DDBDRO COc1cc(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)ccc1[N+](=O)[O-] ZINC000299690374 533547371 /nfs/dbraw/zinc/54/73/71/533547371.db2.gz VWTLYVGPBKJMKC-CHWSQXEVSA-N 1 0 319.361 1.960 20 5 DDBDRO COc1ccc(CNC(=O)NC(C)(C)CC[NH3+])cc1[N+](=O)[O-] ZINC000422601089 533606661 /nfs/dbraw/zinc/60/66/61/533606661.db2.gz WLHBLRKAJDIPTH-UHFFFAOYSA-N 1 0 310.354 1.530 20 5 DDBDRO COc1ccc(CNC(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000417177107 533629170 /nfs/dbraw/zinc/62/91/70/533629170.db2.gz CQNKBYYLXUNGBK-CMPLNLGQSA-N 1 0 322.365 1.401 20 5 DDBDRO C[C@H](NC(=O)NCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[NH2+]C1 ZINC000417212692 533644249 /nfs/dbraw/zinc/64/42/49/533644249.db2.gz BEJIYIZOWOPIEV-GXTWGEPZSA-N 1 0 320.393 1.825 20 5 DDBDRO COc1ccc(C[NH2+]C2(CO)CCSCC2)cc1[N+](=O)[O-] ZINC000459741203 533658792 /nfs/dbraw/zinc/65/87/92/533658792.db2.gz ZRRKALFYABHCTL-UHFFFAOYSA-N 1 0 312.391 1.951 20 5 DDBDRO CSc1cc(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)ccn1 ZINC000570322838 304406668 /nfs/dbraw/zinc/40/66/68/304406668.db2.gz NZFWHNWDVSWCBZ-GFCCVEGCSA-N 1 0 323.378 1.059 20 5 DDBDRO C[C@@H](CCC[NH3+])NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000570383513 304408738 /nfs/dbraw/zinc/40/87/38/304408738.db2.gz SFUKQRKEXYYWNT-NSHDSACASA-N 1 0 306.366 1.790 20 5 DDBDRO Cc1ccc(S(=O)(=O)N[C@@H]2CCCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000070120896 406809387 /nfs/dbraw/zinc/80/93/87/406809387.db2.gz XEYGYIVZZYSWTG-LLVKDONJSA-N 1 0 313.379 1.324 20 5 DDBDRO Cc1nn(C)c(NC[C@H](C(C)C)[NH+]2CCN(C)CC2)c1[N+](=O)[O-] ZINC000072015989 406871650 /nfs/dbraw/zinc/87/16/50/406871650.db2.gz JZJMTHJYKCSJQU-CYBMUJFWSA-N 1 0 324.429 1.321 20 5 DDBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](CCOCC3CC3)C2)nc1 ZINC000072665241 406884434 /nfs/dbraw/zinc/88/44/34/406884434.db2.gz IJPCRYODZKALBM-ZDUSSCGKSA-N 1 0 306.366 1.903 20 5 DDBDRO C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000073990392 406898609 /nfs/dbraw/zinc/89/86/09/406898609.db2.gz WJWHLVXSVZEPID-DZGCQCFKSA-N 1 0 303.362 1.832 20 5 DDBDRO CC(C)[NH+]1CCN([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000045777373 407049136 /nfs/dbraw/zinc/04/91/36/407049136.db2.gz BEKARXAJBLSTRG-CYBMUJFWSA-N 1 0 320.393 1.948 20 5 DDBDRO CS(=O)(=O)N1CCC([NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000037562733 406990872 /nfs/dbraw/zinc/99/08/72/406990872.db2.gz QUNMVMCBUUKPLV-UHFFFAOYSA-N 1 0 319.408 1.170 20 5 DDBDRO [NH3+]C[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000089108021 407123160 /nfs/dbraw/zinc/12/31/60/407123160.db2.gz WFFJGHNMYSICLI-MFKMUULPSA-N 1 0 313.379 1.391 20 5 DDBDRO C[C@@H]1CN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000053711845 407172774 /nfs/dbraw/zinc/17/27/74/407172774.db2.gz OYFBZIKLQCCKSJ-AOOOYVTPSA-N 1 0 313.379 1.185 20 5 DDBDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000102331058 407321461 /nfs/dbraw/zinc/32/14/61/407321461.db2.gz WIBHGJOUXMEMTK-LBPRGKRZSA-N 1 0 323.397 1.517 20 5 DDBDRO C[C@H]1C[N@@H+](C2CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)CCO1 ZINC000124309995 407354100 /nfs/dbraw/zinc/35/41/00/407354100.db2.gz XUIWTGHLUBDZMQ-NSHDSACASA-N 1 0 323.349 1.513 20 5 DDBDRO C[C@@H]1C[C@H](N(C)C(=O)COc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000124497306 407360349 /nfs/dbraw/zinc/36/03/49/407360349.db2.gz ANOYWGXQRWWUGK-TZMCWYRMSA-N 1 0 321.377 1.915 20 5 DDBDRO O=C(CNc1ccccc1[N+](=O)[O-])NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000108783243 407390342 /nfs/dbraw/zinc/39/03/42/407390342.db2.gz VIIXPIBSCVRFOU-GFCCVEGCSA-N 1 0 318.377 1.607 20 5 DDBDRO CS[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])s2)C[C@H]1[NH+](C)C ZINC000271019432 407473020 /nfs/dbraw/zinc/47/30/20/407473020.db2.gz HTLVLBULCOQFDK-PSASIEDQSA-N 1 0 315.420 1.774 20 5 DDBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000178536126 407485097 /nfs/dbraw/zinc/48/50/97/407485097.db2.gz ZHPFZXJMWLESDR-GHMZBOCLSA-N 1 0 309.391 1.883 20 5 DDBDRO C[NH+]1CCC(O)(CNC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000265805795 407462573 /nfs/dbraw/zinc/46/25/73/407462573.db2.gz RHAVFVLERUELFS-UHFFFAOYSA-N 1 0 308.338 1.173 20 5 DDBDRO [NH3+]CCNC(=O)[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000261624412 407557616 /nfs/dbraw/zinc/55/76/16/407557616.db2.gz CMOPVSBPHCRVIW-GFCCVEGCSA-N 1 0 324.356 1.021 20 5 DDBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C[C@@H]1CCOC1 ZINC000178757900 407586518 /nfs/dbraw/zinc/58/65/18/407586518.db2.gz MEWPYDQYFFDQGS-LBPRGKRZSA-N 1 0 307.350 1.892 20 5 DDBDRO CC(C)(O)C[NH+]1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000171149270 407612209 /nfs/dbraw/zinc/61/22/09/407612209.db2.gz QRZFVZYGFBOHEL-UHFFFAOYSA-N 1 0 323.393 1.362 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000261885343 407654847 /nfs/dbraw/zinc/65/48/47/407654847.db2.gz AYJYRDPSCSIBFX-CYBMUJFWSA-N 1 0 319.361 1.609 20 5 DDBDRO Cc1nn(C)c(C(=O)N(C)CC2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000171561728 407703874 /nfs/dbraw/zinc/70/38/74/407703874.db2.gz FXVDKXURQVIXKB-UHFFFAOYSA-N 1 0 309.370 1.051 20 5 DDBDRO COCC[NH2+]CCNc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000234669121 407713189 /nfs/dbraw/zinc/71/31/89/407713189.db2.gz AQHZNPGVDCMPRP-UHFFFAOYSA-N 1 0 308.260 1.657 20 5 DDBDRO CCOC(=O)C1(O)CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000266894563 407665362 /nfs/dbraw/zinc/66/53/62/407665362.db2.gz DXMNJNLFDUDTRX-UHFFFAOYSA-N 1 0 322.361 1.527 20 5 DDBDRO C[NH2+]C1CCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000179138941 407734938 /nfs/dbraw/zinc/73/49/38/407734938.db2.gz LGLSEQGYXSUQRB-UHFFFAOYSA-N 1 0 306.366 1.241 20 5 DDBDRO CCc1n[nH]c(C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000171665965 407735613 /nfs/dbraw/zinc/73/56/13/407735613.db2.gz ARXZETMKNIRIDY-LLVKDONJSA-N 1 0 321.381 1.581 20 5 DDBDRO COc1ccc(CNC(=O)NCCC[NH2+]C(C)C)cc1[N+](=O)[O-] ZINC000571062793 304435340 /nfs/dbraw/zinc/43/53/40/304435340.db2.gz RVNNBAQQSCXXIC-UHFFFAOYSA-N 1 0 324.381 1.791 20 5 DDBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)Cc3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000262314359 407793059 /nfs/dbraw/zinc/79/30/59/407793059.db2.gz QDUZXRIPUJXMRX-AEGPPILISA-N 1 0 303.362 1.723 20 5 DDBDRO C[C@H]1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000262449760 407837512 /nfs/dbraw/zinc/83/75/12/407837512.db2.gz HPKBLULUTHLCCV-RYUDHWBXSA-N 1 0 306.366 1.450 20 5 DDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2CCCC[NH2+]2)s1 ZINC000237970554 407860928 /nfs/dbraw/zinc/86/09/28/407860928.db2.gz GAHSJVMQUJEASD-MRVPVSSYSA-N 1 0 305.381 1.077 20 5 DDBDRO CC[C@H](C)[C@@H]([NH3+])C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000262700277 407905532 /nfs/dbraw/zinc/90/55/32/407905532.db2.gz HKXHRHCSKSTUEC-COPLHBTASA-N 1 0 321.381 1.376 20 5 DDBDRO Cc1nc(N2CC[NH+](C[C@@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000268458892 408053768 /nfs/dbraw/zinc/05/37/68/408053768.db2.gz HHYYZGPELYVOJU-ZDUSSCGKSA-N 1 0 306.366 1.457 20 5 DDBDRO COC(=O)[C@H](O)C1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000135376818 408010298 /nfs/dbraw/zinc/01/02/98/408010298.db2.gz HSFAVAOFCCOQQI-OAHLLOKOSA-N 1 0 322.361 1.383 20 5 DDBDRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000189431051 408014056 /nfs/dbraw/zinc/01/40/56/408014056.db2.gz HBKFPJNVPUCTFB-AWEZNQCLSA-N 1 0 321.421 1.914 20 5 DDBDRO C[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCSC1 ZINC000182259747 408110993 /nfs/dbraw/zinc/11/09/93/408110993.db2.gz RLDNYIMREMTOMM-VXGBXAGGSA-N 1 0 312.391 1.772 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000121206046 408161686 /nfs/dbraw/zinc/16/16/86/408161686.db2.gz LMOXTLVGWZTGPC-IINYFYTJSA-N 1 0 306.366 1.710 20 5 DDBDRO CCOCC[N@H+](CC)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273346901 408164013 /nfs/dbraw/zinc/16/40/13/408164013.db2.gz OROZCSRQEZFXAE-ZDUSSCGKSA-N 1 0 312.366 1.693 20 5 DDBDRO C[NH2+]CCCNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000121319432 408184158 /nfs/dbraw/zinc/18/41/58/408184158.db2.gz YNKQJKZSYWTDCL-UHFFFAOYSA-N 1 0 315.757 1.743 20 5 DDBDRO CCc1n[nH]c(C(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000263666838 408197602 /nfs/dbraw/zinc/19/76/02/408197602.db2.gz LCJKLHUCUXTDBR-WDEREUQCSA-N 1 0 323.397 1.731 20 5 DDBDRO CC(C)[NH+]1CCC(NC(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000175780553 408204421 /nfs/dbraw/zinc/20/44/21/408204421.db2.gz WWMVDZGXVWAKKZ-UHFFFAOYSA-N 1 0 306.366 1.780 20 5 DDBDRO CSCC[N@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000151155775 408265385 /nfs/dbraw/zinc/26/53/85/408265385.db2.gz VGJZMZOSDGGPAH-GFCCVEGCSA-N 1 0 300.380 1.629 20 5 DDBDRO COc1ccc(OCC[N@@H+]2CC[C@H](C)[C@H]2CO)c([N+](=O)[O-])c1 ZINC000190401685 408236216 /nfs/dbraw/zinc/23/62/16/408236216.db2.gz SKIBTXCYIIUYPB-SMDDNHRTSA-N 1 0 310.350 1.685 20 5 DDBDRO C[C@@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@@H]1CCCO1 ZINC000183113583 408329324 /nfs/dbraw/zinc/32/93/24/408329324.db2.gz MHZLWDOYAXSHNR-ABAIWWIYSA-N 1 0 319.361 1.641 20 5 DDBDRO C[N@@H+]1CC[C@@H](CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000157425434 408303848 /nfs/dbraw/zinc/30/38/48/408303848.db2.gz JCJWWMZMKKWBKJ-NSHDSACASA-N 1 0 316.361 1.687 20 5 DDBDRO O=C(Cn1cc([N+](=O)[O-])cn1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000263897412 408305023 /nfs/dbraw/zinc/30/50/23/408305023.db2.gz BHORYFKNRWYQGY-CYBMUJFWSA-N 1 0 321.381 1.268 20 5 DDBDRO Nc1c(C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)cc(F)cc1[N+](=O)[O-] ZINC000274156373 408311910 /nfs/dbraw/zinc/31/19/10/408311910.db2.gz JTEHJDZJPWPGKX-CQSZACIVSA-N 1 0 308.313 1.142 20 5 DDBDRO C[NH2+]C[C@H](C)CNS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000133192453 162052254 /nfs/dbraw/zinc/05/22/54/162052254.db2.gz LEIUIXLUIQCSQC-VIFPVBQESA-N 1 0 315.395 1.345 20 5 DDBDRO Cc1ccc(S(=O)(=O)NCC[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000166782027 162169211 /nfs/dbraw/zinc/16/92/11/162169211.db2.gz MFJXSELHXRNISC-LLVKDONJSA-N 1 0 313.379 1.324 20 5 DDBDRO C[C@@H]([NH3+])[C@H](C)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000449595876 286921432 /nfs/dbraw/zinc/92/14/32/286921432.db2.gz VUXKBZMHUWYQPA-MNOVXSKESA-N 1 0 306.366 1.661 20 5 DDBDRO COC[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000183438703 408413266 /nfs/dbraw/zinc/41/32/66/408413266.db2.gz LOPJVGQNFSHRLV-AWEZNQCLSA-N 1 0 307.350 1.938 20 5 DDBDRO C[C@H]1CCC[C@@H](CO)[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000270421238 408529536 /nfs/dbraw/zinc/52/95/36/408529536.db2.gz GDVVUGMASBDFLJ-GWCFXTLKSA-N 1 0 307.350 1.429 20 5 DDBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1csc([N+](=O)[O-])c1 ZINC000176865833 408462025 /nfs/dbraw/zinc/46/20/25/408462025.db2.gz ZGMXLHDYERCZEZ-LLVKDONJSA-N 1 0 315.395 1.743 20 5 DDBDRO C[C@@H](CN1CC[NH+](C)CC1)Nc1ccc([N+](=O)[O-])c2nonc21 ZINC000264387793 408471048 /nfs/dbraw/zinc/47/10/48/408471048.db2.gz JZGVFCYTJFYWDT-JTQLQIEISA-N 1 0 320.353 1.179 20 5 DDBDRO C[C@@H]1C[C@H](NC(=O)COc2cccc([N+](=O)[O-])c2)C[N@@H+]1C1CC1 ZINC000177133867 408532614 /nfs/dbraw/zinc/53/26/14/408532614.db2.gz FNIMYLZJIQDGDJ-NEPJUHHUSA-N 1 0 319.361 1.715 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000192777565 408647301 /nfs/dbraw/zinc/64/73/01/408647301.db2.gz JEGQJXVINRUCSG-NSHDSACASA-N 1 0 306.366 1.902 20 5 DDBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000177797062 408714932 /nfs/dbraw/zinc/71/49/32/408714932.db2.gz HUIRMFBMVDMKAH-OLZOCXBDSA-N 1 0 321.381 1.267 20 5 DDBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)[C@@H]1CCN(C)C1=O ZINC000265625100 408716970 /nfs/dbraw/zinc/71/69/70/408716970.db2.gz CRTKXHGKODBHIE-ZWNOBZJWSA-N 1 0 320.349 1.084 20 5 DDBDRO C[C@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC[C@H]1O ZINC000249542584 408738383 /nfs/dbraw/zinc/73/83/83/408738383.db2.gz FJBBQDJVHUNRMA-SMDDNHRTSA-N 1 0 307.350 1.626 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H](O)[C@@H](C)C1 ZINC000249536713 408739150 /nfs/dbraw/zinc/73/91/50/408739150.db2.gz CQJOBKLCANJOJP-SWLSCSKDSA-N 1 0 321.377 1.935 20 5 DDBDRO CC[N@@H+]1CCCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000265553100 408691173 /nfs/dbraw/zinc/69/11/73/408691173.db2.gz YYVYQUGVPDQCMG-CYBMUJFWSA-N 1 0 320.393 1.949 20 5 DDBDRO CCOc1ccc(NC(=O)CN2CC[C@@](C)(O)C2)c([N+](=O)[O-])c1 ZINC000178000906 408754034 /nfs/dbraw/zinc/75/40/34/408754034.db2.gz MLKOVDYZEDJMIM-OAHLLOKOSA-N 1 0 323.349 1.389 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000250243000 408777013 /nfs/dbraw/zinc/77/70/13/408777013.db2.gz UJBDVVJBXVMRNI-VXGBXAGGSA-N 1 0 323.397 1.336 20 5 DDBDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000286086488 408921463 /nfs/dbraw/zinc/92/14/63/408921463.db2.gz SQFNFZUMEKGCMO-LLVKDONJSA-N 1 0 323.397 1.948 20 5 DDBDRO CCn1nc(C)c([N+](=O)[O-])c1NCCCN1CC[NH+](CC)CC1 ZINC000192494599 163225280 /nfs/dbraw/zinc/22/52/80/163225280.db2.gz CLSRSLYIHXHYLV-UHFFFAOYSA-N 1 0 324.429 1.559 20 5 DDBDRO C[C@H]1COCC[C@@H]1[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000277496511 408952087 /nfs/dbraw/zinc/95/20/87/408952087.db2.gz PDOQQJNLQUSEAL-FZMZJTMJSA-N 1 0 319.361 1.499 20 5 DDBDRO NC(=O)c1cc([N+](=O)[O-])cnc1NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000277570284 408968088 /nfs/dbraw/zinc/96/80/88/408968088.db2.gz ZTERFYPKXJKZHP-NSHDSACASA-N 1 0 319.365 1.518 20 5 DDBDRO C[N@@H+]1CC[C@]2(CCN(C(=O)Cc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000292126284 408985653 /nfs/dbraw/zinc/98/56/53/408985653.db2.gz GXCNGAITXYUACP-INIZCTEOSA-N 1 0 303.362 1.692 20 5 DDBDRO C[C@@H](CCCC[NH3+])NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000292225377 409004867 /nfs/dbraw/zinc/00/48/67/409004867.db2.gz ZZEHGGYWMCSHFO-LBPRGKRZSA-N 1 0 308.382 1.665 20 5 DDBDRO CC[N@H+](CC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CC1 ZINC000278109262 409067048 /nfs/dbraw/zinc/06/70/48/409067048.db2.gz KWFMKIAKFROFMQ-UHFFFAOYSA-N 1 0 317.349 1.572 20 5 DDBDRO CC(C)[C@H]1C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CCCO1 ZINC000293108290 409052187 /nfs/dbraw/zinc/05/21/87/409052187.db2.gz LMXOEIYLTPMOSU-OAHLLOKOSA-N 1 0 321.377 1.941 20 5 DDBDRO CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@@H](C)CO ZINC000293532176 409132824 /nfs/dbraw/zinc/13/28/24/409132824.db2.gz XDUWAXZOVHTFBD-JTQLQIEISA-N 1 0 313.329 1.765 20 5 DDBDRO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000293348115 409095039 /nfs/dbraw/zinc/09/50/39/409095039.db2.gz JVKUNBLDPVIUAQ-SKDRFNHKSA-N 1 0 315.333 1.295 20 5 DDBDRO CCNC(=O)[C@@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])C(C)C ZINC000293413079 409108663 /nfs/dbraw/zinc/10/86/63/409108663.db2.gz ZDERHUBTLIBXCJ-AWEZNQCLSA-N 1 0 309.366 1.724 20 5 DDBDRO Cc1c(NC(=O)c2cc([C@@H]3CC[NH2+]C3)[nH]n2)cccc1[N+](=O)[O-] ZINC000278993712 409127603 /nfs/dbraw/zinc/12/76/03/409127603.db2.gz LJEUPBHZLQFIIE-SNVBAGLBSA-N 1 0 315.333 1.956 20 5 DDBDRO CC(C)(CCC[NH3+])NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000293648861 409153456 /nfs/dbraw/zinc/15/34/56/409153456.db2.gz KGLQHUCIJRKVNK-UHFFFAOYSA-N 1 0 313.329 1.746 20 5 DDBDRO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NCCC[NH+]1CCCCC1 ZINC000283526841 409171011 /nfs/dbraw/zinc/17/10/11/409171011.db2.gz RAFHUMMSCZBLNL-UHFFFAOYSA-N 1 0 324.356 1.922 20 5 DDBDRO Cc1ccnc(N(C)CCC[N@@H+](C)CCN(C)C)c1[N+](=O)[O-] ZINC000289149299 409225028 /nfs/dbraw/zinc/22/50/28/409225028.db2.gz STVHFLXSGIXGFG-UHFFFAOYSA-N 1 0 309.414 1.618 20 5 DDBDRO CC[NH2+][C@H](C)CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000262478712 163835527 /nfs/dbraw/zinc/83/55/27/163835527.db2.gz QXYIUYVNKBSCLM-SNVBAGLBSA-N 1 0 301.368 1.012 20 5 DDBDRO COC[C@@]1(CNC(=O)Cc2ccc([N+](=O)[O-])cc2)CCC[NH2+]1 ZINC000262568678 163851633 /nfs/dbraw/zinc/85/16/33/163851633.db2.gz XDFWHKKJZCYENZ-HNNXBMFYSA-N 1 0 307.350 1.022 20 5 DDBDRO CCOc1ccc(C(=O)N2CC[NH2+][C@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000262782436 163877855 /nfs/dbraw/zinc/87/78/55/163877855.db2.gz LSRKCOPXCLNIDQ-MNOVXSKESA-N 1 0 307.350 1.816 20 5 DDBDRO Cc1cccc(C(=O)N2CCO[C@H]3CC[N@@H+](C)C[C@@H]32)c1[N+](=O)[O-] ZINC000285350936 409412284 /nfs/dbraw/zinc/41/22/84/409412284.db2.gz ULYQQCFHADZPFB-KBPBESRZSA-N 1 0 319.361 1.448 20 5 DDBDRO NC(=O)c1ccnc(NCC[NH+]2CCCCCC2)c1[N+](=O)[O-] ZINC000290562714 409445733 /nfs/dbraw/zinc/44/57/33/409445733.db2.gz SALZQRZFVBHJBM-UHFFFAOYSA-N 1 0 307.354 1.377 20 5 DDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCC[NH+](C)C ZINC000290569947 409447427 /nfs/dbraw/zinc/44/74/27/409447427.db2.gz VADRMCPYIRGVJN-UHFFFAOYSA-N 1 0 322.365 1.164 20 5 DDBDRO C[NH+]1CCN(CCNc2ccc([N+](=O)[O-])c3ncccc23)CC1 ZINC000322114907 164045917 /nfs/dbraw/zinc/04/59/17/164045917.db2.gz PTQRKLMKXNTAKO-UHFFFAOYSA-N 1 0 315.377 1.802 20 5 DDBDRO CNc1c(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000321888214 164046116 /nfs/dbraw/zinc/04/61/16/164046116.db2.gz RMGHKINCVIRRAP-VXGBXAGGSA-N 1 0 318.377 1.993 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000347020518 164098373 /nfs/dbraw/zinc/09/83/73/164098373.db2.gz YFTMKMDPPYOKSK-ZDUSSCGKSA-N 1 0 321.381 1.185 20 5 DDBDRO Cn1c(C(=O)N2CCC3(CCC[N@@H+]3C)CC2)ccc1[N+](=O)[O-] ZINC000408223892 164266573 /nfs/dbraw/zinc/26/65/73/164266573.db2.gz VKNGQNUOKRTHLH-UHFFFAOYSA-N 1 0 306.366 1.634 20 5 DDBDRO Cc1c(NC(=O)[C@H](C)NCC2([NH3+])CCC2)cccc1[N+](=O)[O-] ZINC000342094223 409559502 /nfs/dbraw/zinc/55/95/02/409559502.db2.gz FBAONUNGAWUJCY-NSHDSACASA-N 1 0 306.366 1.701 20 5 DDBDRO CC(C)O[C@H]1C[C@@H]([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)C1(C)C ZINC000296389174 409525123 /nfs/dbraw/zinc/52/51/23/409525123.db2.gz UEUBRADITYTABA-KGLIPLIRSA-N 1 0 323.393 1.938 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(CO)CC1 ZINC000303113374 409536414 /nfs/dbraw/zinc/53/64/14/409536414.db2.gz OZUMEPAHFFLZLK-UHFFFAOYSA-N 1 0 321.377 1.936 20 5 DDBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCc1ncn(C)n1 ZINC000345042722 409601584 /nfs/dbraw/zinc/60/15/84/409601584.db2.gz AXVCQKFUIKZZSD-WQLSENKSSA-N 1 0 301.350 1.959 20 5 DDBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000342452887 409640887 /nfs/dbraw/zinc/64/08/87/409640887.db2.gz QPLOYVQMBSLFLY-YPMHNXCESA-N 1 0 319.361 1.573 20 5 DDBDRO C[C@@H]1[C@H](C)N(C(=O)CNc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000356903495 409707320 /nfs/dbraw/zinc/70/73/20/409707320.db2.gz PRLJFEMSRQTCBL-NEPJUHHUSA-N 1 0 306.366 1.558 20 5 DDBDRO COc1c(C(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000331591927 409672699 /nfs/dbraw/zinc/67/26/99/409672699.db2.gz XZBUEQYHXSLZJN-QWRGUYRKSA-N 1 0 319.361 1.958 20 5 DDBDRO O=C1CCCN1CC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000331686636 409766900 /nfs/dbraw/zinc/76/69/00/409766900.db2.gz VIPYPDAYTQTBJW-UHFFFAOYSA-N 1 0 307.354 1.051 20 5 DDBDRO C[C@@H]1CCC[C@@H](CC[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000316187116 409855181 /nfs/dbraw/zinc/85/51/81/409855181.db2.gz KVOMKHOMYWJJSH-VNHYZAJKSA-N 1 0 310.398 1.958 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[N@@H+](C)[C@H](C)[C@@H]1C ZINC000357029288 409808052 /nfs/dbraw/zinc/80/80/52/409808052.db2.gz CSFDTOJKCUYDAP-OLZOCXBDSA-N 1 0 320.393 1.866 20 5 DDBDRO O=C(CCN1CC[C@H]2C[NH2+]C[C@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000357085339 409859370 /nfs/dbraw/zinc/85/93/70/409859370.db2.gz SJXPOLMLWOOTEW-STQMWFEESA-N 1 0 318.377 1.465 20 5 DDBDRO CCN(CCC[NH+]1CCCC1)C(=O)c1cc([N+](=O)[O-])nn1C ZINC000357117924 409885177 /nfs/dbraw/zinc/88/51/77/409885177.db2.gz OZFJKSPUUDXPQU-UHFFFAOYSA-N 1 0 309.370 1.276 20 5 DDBDRO Cc1nn(C)c(C(=O)N(CCC[NH3+])CC2CCCC2)c1[N+](=O)[O-] ZINC000357395879 410013862 /nfs/dbraw/zinc/01/38/62/410013862.db2.gz ZAUIONBGJMJKCX-UHFFFAOYSA-N 1 0 323.397 1.618 20 5 DDBDRO COC(=O)[C@H]1CC[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)[C@H]1C ZINC000346997048 410299578 /nfs/dbraw/zinc/29/95/78/410299578.db2.gz CBNQOEATZXNIOC-JQWIXIFHSA-N 1 0 308.334 1.987 20 5 DDBDRO CC[NH+](CC)CCN(CCOC)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000355241056 410396484 /nfs/dbraw/zinc/39/64/84/410396484.db2.gz IYDDALIJJYPHRT-UHFFFAOYSA-N 1 0 312.370 1.353 20 5 DDBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H]1COCCO1 ZINC000358230645 410412662 /nfs/dbraw/zinc/41/26/62/410412662.db2.gz YPSTUNXUZNRYJN-FZMZJTMJSA-N 1 0 323.349 1.317 20 5 DDBDRO Cn1c(C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)ccc1[N+](=O)[O-] ZINC000347319729 410467589 /nfs/dbraw/zinc/46/75/89/410467589.db2.gz OKCOCRYHROZTGE-GFCCVEGCSA-N 1 0 306.366 1.680 20 5 DDBDRO CC[N@@H+]1CC[C@@H]2OCCN(C(=O)c3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000355373635 410476323 /nfs/dbraw/zinc/47/63/23/410476323.db2.gz ULJOLMVAHWISJQ-GJZGRUSLSA-N 1 0 319.361 1.530 20 5 DDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339953013 410572749 /nfs/dbraw/zinc/57/27/49/410572749.db2.gz MQVOTKDXQMPIBH-NEPJUHHUSA-N 1 0 318.377 1.993 20 5 DDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CC[NH+](CC2CC2)CC1 ZINC000301064364 410649418 /nfs/dbraw/zinc/64/94/18/410649418.db2.gz AUYYOFJXGLHHKK-UHFFFAOYSA-N 1 0 318.377 1.486 20 5 DDBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337310861 410708896 /nfs/dbraw/zinc/70/88/96/410708896.db2.gz BOQVATCONKFUIF-CHWSQXEVSA-N 1 0 320.393 1.948 20 5 DDBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000330565221 410782508 /nfs/dbraw/zinc/78/25/08/410782508.db2.gz ACZKFZRTZIDVSU-CHWSQXEVSA-N 1 0 320.393 1.582 20 5 DDBDRO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])n1C)[N@@H+]1CCC[C@@H](C)C1 ZINC000330586045 410802440 /nfs/dbraw/zinc/80/24/40/410802440.db2.gz SIRJJKNKNLOYKY-VXGBXAGGSA-N 1 0 308.382 1.784 20 5 DDBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000359810581 410894400 /nfs/dbraw/zinc/89/44/00/410894400.db2.gz RUBQYWQEKKJCKN-JTQLQIEISA-N 1 0 311.386 1.487 20 5 DDBDRO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CCn3ccc([N+](=O)[O-])n3)[C@H]2C1 ZINC000344066901 410932926 /nfs/dbraw/zinc/93/29/26/410932926.db2.gz ICCMZOJMXBKMPK-MELADBBJSA-N 1 0 321.381 1.028 20 5 DDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)CC1(O)CCC1 ZINC000353467879 411005501 /nfs/dbraw/zinc/00/55/01/411005501.db2.gz NFCNGFORNMYMHA-LLVKDONJSA-N 1 0 307.350 1.769 20 5 DDBDRO CN(CCC[N@H+](C)Cc1ccco1)Cc1c([N+](=O)[O-])ncn1C ZINC000353544636 411056224 /nfs/dbraw/zinc/05/62/24/411056224.db2.gz PEOXFAKORLHATL-UHFFFAOYSA-N 1 0 321.381 1.875 20 5 DDBDRO Cc1cc(OCC(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000331201529 411015385 /nfs/dbraw/zinc/01/53/85/411015385.db2.gz QJKPRYYDDORZGF-CHWSQXEVSA-N 1 0 321.377 1.881 20 5 DDBDRO O=C1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)[C@@H]2CCCCN12 ZINC000337852904 411034256 /nfs/dbraw/zinc/03/42/56/411034256.db2.gz JYMWQCNIJKHMTL-KGLIPLIRSA-N 1 0 307.325 1.977 20 5 DDBDRO O=C1C[C@H]2CC[C@@H](CN1)[N@H+]2C/C=C\c1ccccc1[N+](=O)[O-] ZINC000353667898 411103802 /nfs/dbraw/zinc/10/38/02/411103802.db2.gz WASPELRIADEQTK-FJDWXNHUSA-N 1 0 301.346 1.961 20 5 DDBDRO O=C([C@@H]1C[C@@H]1[N+](=O)[O-])N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000360221013 411104732 /nfs/dbraw/zinc/10/47/32/411104732.db2.gz CKHJPGCUOBCYFM-KFWWJZLASA-N 1 0 309.410 1.766 20 5 DDBDRO C[NH2+]CCCNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000571642900 304477373 /nfs/dbraw/zinc/47/73/73/304477373.db2.gz UYUCDFMAOXVPPW-UHFFFAOYSA-N 1 0 320.393 1.537 20 5 DDBDRO CNc1nccc(C(=O)N(C)C[C@H]2CCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000519180178 416896901 /nfs/dbraw/zinc/89/69/01/416896901.db2.gz KNASUCLAZKLQPH-SNVBAGLBSA-N 1 0 307.354 1.198 20 5 DDBDRO CCOc1cc(C(=O)N2CC[C@@H]([NH2+]C)C2)c([N+](=O)[O-])cc1OC ZINC000160518218 221704050 /nfs/dbraw/zinc/70/40/50/221704050.db2.gz DKCKEUXRJGHZPK-SNVBAGLBSA-N 1 0 323.349 1.436 20 5 DDBDRO C[C@@H]1C[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000360651163 418484514 /nfs/dbraw/zinc/48/45/14/418484514.db2.gz FWWZAXQQUKBHDW-GHMZBOCLSA-N 1 0 313.379 1.356 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@H](c3ccco3)C2)c1 ZINC000374139251 418494149 /nfs/dbraw/zinc/49/41/49/418494149.db2.gz ABKDLWAHKNDYTF-WCQYABFASA-N 1 0 306.322 1.235 20 5 DDBDRO C[C@@H]1COCCN1CC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000374173166 418501257 /nfs/dbraw/zinc/50/12/57/418501257.db2.gz HETUWDNFOSHJLS-CYBMUJFWSA-N 1 0 323.397 1.149 20 5 DDBDRO Cn1nc([N+](=O)[O-])cc1C(=O)N(CC[NH+](C)C)C1CCCCC1 ZINC000360804509 418522652 /nfs/dbraw/zinc/52/26/52/418522652.db2.gz WUEXWAROSZKBBU-UHFFFAOYSA-N 1 0 323.397 1.665 20 5 DDBDRO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000374821519 418566271 /nfs/dbraw/zinc/56/62/71/418566271.db2.gz FRFKWPNRJQVBRI-SNVBAGLBSA-N 1 0 322.340 1.626 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])c(F)cc3N)C[C@H]21 ZINC000374821241 418566869 /nfs/dbraw/zinc/56/68/69/418566869.db2.gz DYRXLKABHMWOTP-YMTOWFKASA-N 1 0 322.340 1.482 20 5 DDBDRO C[C@@H]([NH3+])CNC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000194869507 418549283 /nfs/dbraw/zinc/54/92/83/418549283.db2.gz YKAVGXWZJRTGEE-GFCCVEGCSA-N 1 0 320.393 1.908 20 5 DDBDRO CNc1c(C(=O)N[C@@H]2CCC[N@H+](C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000360931169 418549723 /nfs/dbraw/zinc/54/97/23/418549723.db2.gz MHWBMPPJSHRXCT-CMPLNLGQSA-N 1 0 306.366 1.849 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)n1 ZINC000191772475 222109019 /nfs/dbraw/zinc/10/90/19/222109019.db2.gz QSCYALNLGWISIQ-RYUDHWBXSA-N 1 0 323.397 1.661 20 5 DDBDRO CC(C)(C(=O)N[C@@H]1C[C@@H]1C1CC[NH2+]CC1)n1cc([N+](=O)[O-])cn1 ZINC000361099931 418583140 /nfs/dbraw/zinc/58/31/40/418583140.db2.gz XFPGPQWHELVMGI-CHWSQXEVSA-N 1 0 321.381 1.031 20 5 DDBDRO Cc1ccc(CN2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1[N+](=O)[O-] ZINC000367461257 418601082 /nfs/dbraw/zinc/60/10/82/418601082.db2.gz UBWYAPNUYYCMIM-DOTOQJQBSA-N 1 0 319.405 1.934 20 5 DDBDRO CN(CCc1ccccc1[N+](=O)[O-])CC[N@@H+]1CCCOCC1 ZINC000361379595 418640859 /nfs/dbraw/zinc/64/08/59/418640859.db2.gz VRVOCTBPUOQFMT-UHFFFAOYSA-N 1 0 307.394 1.791 20 5 DDBDRO CO[C@@H]1CC[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000361385456 418641609 /nfs/dbraw/zinc/64/16/09/418641609.db2.gz QCEJCVUXWNBXSE-GFCCVEGCSA-N 1 0 321.333 1.614 20 5 DDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000367649499 418619409 /nfs/dbraw/zinc/61/94/09/418619409.db2.gz UBJDDDSJOLTPPO-NHYWBVRUSA-N 1 0 318.377 1.781 20 5 DDBDRO CNc1c(C(=O)NC[C@@H](C)[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000387757882 418744575 /nfs/dbraw/zinc/74/45/75/418744575.db2.gz FALUGZNETGBXEO-LLVKDONJSA-N 1 0 306.366 1.851 20 5 DDBDRO O=C(N[C@@H]1CC[N@H+](CC2CCCC2)C1)c1cc([N+](=O)[O-])c[nH]1 ZINC000362057538 418746001 /nfs/dbraw/zinc/74/60/01/418746001.db2.gz LEZLKVIGXIMEKZ-GFCCVEGCSA-N 1 0 306.366 1.917 20 5 DDBDRO [NH3+][C@@H]1CCC[C@@]12CCN(C(=O)Cc1ccccc1[N+](=O)[O-])C2 ZINC000372777091 418900441 /nfs/dbraw/zinc/90/04/41/418900441.db2.gz SDHFMFHROSRRMT-ZBFHGGJFSA-N 1 0 303.362 1.867 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1CCCC[C@H]1n1cccn1 ZINC000372268924 418849331 /nfs/dbraw/zinc/84/93/31/418849331.db2.gz USSJRNJYJVIXGD-NWDGAFQWSA-N 1 0 304.354 1.798 20 5 DDBDRO COc1cc(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)cc([N+](=O)[O-])c1C ZINC000423596187 227561964 /nfs/dbraw/zinc/56/19/64/227561964.db2.gz RCVQKRIPIVKNHG-RYUDHWBXSA-N 1 0 307.350 1.912 20 5 DDBDRO O=[N+]([O-])c1ccc(OC2CC[NH+]([C@@H]3COC[C@@H]3O)CC2)cc1 ZINC000361312025 299838567 /nfs/dbraw/zinc/83/85/67/299838567.db2.gz ZWRCKILCHANRTF-CABCVRRESA-N 1 0 308.334 1.198 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]1CCN(C)C(=O)C1 ZINC000424194388 228244531 /nfs/dbraw/zinc/24/45/31/228244531.db2.gz WKEIBTWLVRABCR-GFCCVEGCSA-N 1 0 321.377 1.952 20 5 DDBDRO C[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC1CC1 ZINC000420975361 419397705 /nfs/dbraw/zinc/39/77/05/419397705.db2.gz QMFJVIDPGRGLCJ-UHFFFAOYSA-N 1 0 313.379 1.215 20 5 DDBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000417939758 419402860 /nfs/dbraw/zinc/40/28/60/419402860.db2.gz LAEDYZKGTAFSGV-ZFWWWQNUSA-N 1 0 318.377 1.531 20 5 DDBDRO C[C@H]1C[C@@H](CO)C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000420943351 419374690 /nfs/dbraw/zinc/37/46/90/419374690.db2.gz PSSHVQSGBFTFFP-QWHCGFSZSA-N 1 0 321.377 1.874 20 5 DDBDRO C[C@@H]1CN(Cc2c(Cl)cccc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000426481026 419483593 /nfs/dbraw/zinc/48/35/93/419483593.db2.gz DKKVTVPHBPZAMK-LLVKDONJSA-N 1 0 313.785 1.747 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C)C[C@@H]1CCC[N@@H+]1C ZINC000420998105 419435230 /nfs/dbraw/zinc/43/52/30/419435230.db2.gz HWFKNEPOUXGRKW-ZDUSSCGKSA-N 1 0 320.393 1.868 20 5 DDBDRO Cc1nn(CCC(=O)N(C)C[C@H]2CCC[N@@H+]2C)c(C)c1[N+](=O)[O-] ZINC000421705516 419685850 /nfs/dbraw/zinc/68/58/50/419685850.db2.gz RMSZUXAVNIRYFN-CYBMUJFWSA-N 1 0 323.397 1.351 20 5 DDBDRO COC(=O)[C@@H]1CSCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000412092349 419648646 /nfs/dbraw/zinc/64/86/46/419648646.db2.gz ZISQZDVNKYPDQU-ZDUSSCGKSA-N 1 0 324.402 1.975 20 5 DDBDRO CC(C)[C@H]([NH3+])CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000418393132 419769090 /nfs/dbraw/zinc/76/90/90/419769090.db2.gz XJCFINUSPLPGMR-CQSZACIVSA-N 1 0 306.366 1.646 20 5 DDBDRO COCC[N@@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])c(C)cc2C)C1 ZINC000421767824 419717808 /nfs/dbraw/zinc/71/78/08/419717808.db2.gz MEMZHEUUMDZHHM-ZDUSSCGKSA-N 1 0 321.377 1.662 20 5 DDBDRO CC[C@@H]1CN(CCNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)CCO1 ZINC000428067471 419807311 /nfs/dbraw/zinc/80/73/11/419807311.db2.gz ALYYJSITRBKDPY-CQSZACIVSA-N 1 0 323.349 1.141 20 5 DDBDRO [NH3+]CC1CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000428128934 419815809 /nfs/dbraw/zinc/81/58/09/419815809.db2.gz DEWJCCJBNGUSAZ-UHFFFAOYSA-N 1 0 307.350 1.561 20 5 DDBDRO COc1cc(CN[C@@H]2CC[NH2+][C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000414959012 419894288 /nfs/dbraw/zinc/89/42/88/419894288.db2.gz WWBABLRCQODEJJ-ZYHUDNBSSA-N 1 0 309.366 1.842 20 5 DDBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000418669275 419929409 /nfs/dbraw/zinc/92/94/09/419929409.db2.gz JLYCZJPQEPBKBI-FICVDOATSA-N 1 0 318.377 1.733 20 5 DDBDRO CN(Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C[C@@H](O)C[NH3+] ZINC000415067944 419929490 /nfs/dbraw/zinc/92/94/90/419929490.db2.gz LSSCDFTYXAZHIE-ZDUSSCGKSA-N 1 0 322.390 1.470 20 5 DDBDRO COC(=O)c1cc(C(=O)N[C@](C)(C[NH3+])C2CC2)cc([N+](=O)[O-])c1 ZINC000422822497 419970910 /nfs/dbraw/zinc/97/09/10/419970910.db2.gz AZWVJVPKYHHUDP-OAHLLOKOSA-N 1 0 321.333 1.239 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000429493985 420020852 /nfs/dbraw/zinc/02/08/52/420020852.db2.gz SPACUFBQDUTNHT-SNVBAGLBSA-N 1 0 317.349 1.436 20 5 DDBDRO C[NH2+][C@H]1CCCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000415374170 420039895 /nfs/dbraw/zinc/03/98/95/420039895.db2.gz JXLHPSWVFNYGIQ-NSHDSACASA-N 1 0 320.349 1.052 20 5 DDBDRO CN1CCNC[C@@H]1C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423519510 420069615 /nfs/dbraw/zinc/06/96/15/420069615.db2.gz PEAOBJCEIYVZSO-CVEARBPZSA-N 1 0 318.421 1.409 20 5 DDBDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000429791483 420047174 /nfs/dbraw/zinc/04/71/74/420047174.db2.gz SOXAPRIDZJFWES-NEPJUHHUSA-N 1 0 307.350 1.478 20 5 DDBDRO COc1ccc(NC(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000415437539 420067105 /nfs/dbraw/zinc/06/71/05/420067105.db2.gz KRYPLOAHAIAJOD-VHSXEESVSA-N 1 0 308.338 1.804 20 5 DDBDRO Cc1c(NC(=O)NCC[NH3+])cc(Br)cc1[N+](=O)[O-] ZINC000415668055 420142563 /nfs/dbraw/zinc/14/25/63/420142563.db2.gz ZCCHXYYNMAHTNR-UHFFFAOYSA-N 1 0 317.143 1.746 20 5 DDBDRO CCOC(=O)c1cc(C(=O)N[C@H](C)[C@@H](C)[NH3+])cc([N+](=O)[O-])c1 ZINC000423675934 420123418 /nfs/dbraw/zinc/12/34/18/420123418.db2.gz IFGVGZWXIYLGCJ-RKDXNWHRSA-N 1 0 309.322 1.237 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415659680 420139589 /nfs/dbraw/zinc/13/95/89/420139589.db2.gz OSIFHUJRYMKHAG-IWIIMEHWSA-N 1 0 306.322 1.333 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000415500909 420091403 /nfs/dbraw/zinc/09/14/03/420091403.db2.gz MBPKXHUZXGHYHW-GXSJLCMTSA-N 1 0 308.338 1.804 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000415500912 420092026 /nfs/dbraw/zinc/09/20/26/420092026.db2.gz MBPKXHUZXGHYHW-ONGXEEELSA-N 1 0 308.338 1.804 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000420306759 420196570 /nfs/dbraw/zinc/19/65/70/420196570.db2.gz BBXJLPPCFDPGHN-ZBFHGGJFSA-N 1 0 318.421 1.944 20 5 DDBDRO C[C@@H](C[NH3+])N(C)CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000430924949 420208488 /nfs/dbraw/zinc/20/84/88/420208488.db2.gz BWDVLAHQOSJQBL-JTQLQIEISA-N 1 0 308.338 1.172 20 5 DDBDRO Cc1c(NC(=O)[C@H](C)N2CCC([NH3+])CC2)cccc1[N+](=O)[O-] ZINC000430599198 420153181 /nfs/dbraw/zinc/15/31/81/420153181.db2.gz FPGNXBVCMJSBGJ-NSHDSACASA-N 1 0 306.366 1.653 20 5 DDBDRO C[NH2+][C@@H]1CCN([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000430601687 420153573 /nfs/dbraw/zinc/15/35/73/420153573.db2.gz FBTIHSSOMRVJKE-WDEREUQCSA-N 1 0 322.365 1.224 20 5 DDBDRO CCOC(=O)c1ccnc(N[C@H]2CCC[C@@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000420234303 420159406 /nfs/dbraw/zinc/15/94/06/420159406.db2.gz HKUPPYQEDUDYCQ-ZJUUUORDSA-N 1 0 308.338 1.848 20 5 DDBDRO [NH3+]C[C@H]1CC[C@@H](Nc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000420264176 420172937 /nfs/dbraw/zinc/17/29/37/420172937.db2.gz CWXVVIMJCMLXLC-GXSJLCMTSA-N 1 0 303.322 2.184 20 5 DDBDRO COC(=O)c1cc(C)nc(N2CC[C@@H](C)C[C@H]2C[NH3+])c1[N+](=O)[O-] ZINC000420263567 420173412 /nfs/dbraw/zinc/17/34/12/420173412.db2.gz UDBVYLCCAOYEFL-KOLCDFICSA-N 1 0 322.365 1.648 20 5 DDBDRO [NH3+][C@@H](CC(F)F)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000423842751 420221134 /nfs/dbraw/zinc/22/11/34/420221134.db2.gz KGQNSSSRZSQDCI-VIFPVBQESA-N 1 0 307.684 1.847 20 5 DDBDRO COc1cc(CN(C)[C@H](C)C[NH3+])c([N+](=O)[O-])cc1OC(F)F ZINC000430972010 420229383 /nfs/dbraw/zinc/22/93/83/420229383.db2.gz QYEUXUACGUEGHY-MRVPVSSYSA-N 1 0 319.308 1.984 20 5 DDBDRO C[C@@H](C(=O)NCCn1cc([N+](=O)[O-])cn1)[C@@H]([NH3+])c1ccccc1 ZINC000423891751 420248044 /nfs/dbraw/zinc/24/80/44/420248044.db2.gz BUURMTVJKPAEPY-BXUZGUMPSA-N 1 0 317.349 1.244 20 5 DDBDRO C[C@@H]1CN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@H](C)C[NH2+]1 ZINC000420380521 420250074 /nfs/dbraw/zinc/25/00/74/420250074.db2.gz CBVIJQHCWGBNPS-GHMZBOCLSA-N 1 0 317.349 1.827 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000420413114 420270059 /nfs/dbraw/zinc/27/00/59/420270059.db2.gz ZRWRMNXJFBLBKN-NEPJUHHUSA-N 1 0 306.366 1.524 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@@H](CC(F)(F)F)C2)c1 ZINC000444697968 230122957 /nfs/dbraw/zinc/12/29/57/230122957.db2.gz RIFCAGAKKRDMMC-GXSJLCMTSA-N 1 0 322.287 1.427 20 5 DDBDRO C[C@@H](CC[NH3+])NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000417722681 420461653 /nfs/dbraw/zinc/46/16/53/420461653.db2.gz VXQOCJZRNNJQJC-LBPRGKRZSA-N 1 0 308.382 1.954 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NCC[N@@H+]1CCCC1(C)C ZINC000457069530 420601807 /nfs/dbraw/zinc/60/18/07/420601807.db2.gz GBACKRFJZSWNCQ-UHFFFAOYSA-N 1 0 309.370 1.090 20 5 DDBDRO [NH3+]CC1(NS(=O)(=O)c2ccc([N+](=O)[O-])s2)CCCC1 ZINC000440432405 420575554 /nfs/dbraw/zinc/57/55/54/420575554.db2.gz SDLXIPIKLOYFBC-UHFFFAOYSA-N 1 0 305.381 1.206 20 5 DDBDRO Cc1c(C(=O)N2CCN(CCO)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000457101600 420612603 /nfs/dbraw/zinc/61/26/03/420612603.db2.gz YPGLFIASEWDSHD-LLVKDONJSA-N 1 0 307.350 1.042 20 5 DDBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000493094680 420756823 /nfs/dbraw/zinc/75/68/23/420756823.db2.gz RPVDIBMVBBLNKP-MJRJWQSSSA-N 1 0 311.288 1.721 20 5 DDBDRO COc1ccc(C[NH2+][C@H]2C[C@H]3CCCCN3C2=O)cc1[N+](=O)[O-] ZINC000453624860 420739043 /nfs/dbraw/zinc/73/90/43/420739043.db2.gz KDGGZFJUMDTAOO-OLZOCXBDSA-N 1 0 319.361 1.846 20 5 DDBDRO Cn1ccc(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)n1 ZINC000447580581 420783728 /nfs/dbraw/zinc/78/37/28/420783728.db2.gz PBYWFKWJUHFUHI-QWHCGFSZSA-N 1 0 304.354 1.798 20 5 DDBDRO CO[C@H]1C[C@@H]([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)C12CCC2 ZINC000459763582 420866976 /nfs/dbraw/zinc/86/69/76/420866976.db2.gz OHERJIIKKGESTF-OLZOCXBDSA-N 1 0 307.350 1.304 20 5 DDBDRO CN(C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-])[C@@H](C[NH3+])C1CC1 ZINC000493870809 420962777 /nfs/dbraw/zinc/96/27/77/420962777.db2.gz YXCXMKQTCNPSQJ-DYLGSBMWSA-N 1 0 307.325 1.943 20 5 DDBDRO [NH3+]C[C@@H]1CN(C(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])CCCO1 ZINC000493719496 420923386 /nfs/dbraw/zinc/92/33/86/420923386.db2.gz ILOIEEGPILOKPJ-HSBHDXMMSA-N 1 0 323.324 1.323 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000449661177 421051352 /nfs/dbraw/zinc/05/13/52/421051352.db2.gz ZHPQAGYIYLNNJM-LLVKDONJSA-N 1 0 315.276 1.087 20 5 DDBDRO C[C@H](O)C[NH+]1CCN(Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000494463260 421000692 /nfs/dbraw/zinc/00/06/92/421000692.db2.gz FHPAXOAGQRFUPD-NSHDSACASA-N 1 0 313.785 1.747 20 5 DDBDRO CNc1nc(C(=O)N2CCC[C@H]2C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000455363570 421002870 /nfs/dbraw/zinc/00/28/70/421002870.db2.gz XRYUYDSKNOCAPD-JTQLQIEISA-N 1 0 307.354 1.198 20 5 DDBDRO C[C@H](CCC[NH3+])NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000449567247 421027122 /nfs/dbraw/zinc/02/71/22/421027122.db2.gz SMXUSZXHNCIDII-LLVKDONJSA-N 1 0 317.349 1.638 20 5 DDBDRO [NH3+][C@H]1CCC[C@H](CNC(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000449637144 421041510 /nfs/dbraw/zinc/04/15/10/421041510.db2.gz GBDCHPZGADDFMF-STQMWFEESA-N 1 0 321.377 1.997 20 5 DDBDRO COc1cc(C[NH2+][C@@H]2CC[C@H](C(N)=O)C2)c([N+](=O)[O-])cc1OC ZINC000449746639 421072612 /nfs/dbraw/zinc/07/26/12/421072612.db2.gz SOHCHTSENMQBEM-GXSJLCMTSA-N 1 0 323.349 1.356 20 5 DDBDRO C[C@H]1CN(c2nccc3cc([N+](=O)[O-])ccc32)CC[N@@H+]1CCO ZINC000450456062 421199785 /nfs/dbraw/zinc/19/97/85/421199785.db2.gz WPMOPDQFDQLNJQ-LBPRGKRZSA-N 1 0 316.361 1.646 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)n1 ZINC000548692862 421463760 /nfs/dbraw/zinc/46/37/60/421463760.db2.gz LKSAQIGJQZEBGD-ZDUSSCGKSA-N 1 0 322.409 1.888 20 5 DDBDRO COC[C@](C)(O)C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000517070396 421593762 /nfs/dbraw/zinc/59/37/62/421593762.db2.gz BTWGAJNYFAOPCH-OUCADQQQSA-N 1 0 312.370 1.262 20 5 DDBDRO CNc1nccc(C(=O)N[C@H](C)C[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000563706205 421536975 /nfs/dbraw/zinc/53/69/75/421536975.db2.gz GJZFTGZWCDMTQD-LLVKDONJSA-N 1 0 321.381 1.636 20 5 DDBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)NCc3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000516261605 421537548 /nfs/dbraw/zinc/53/75/48/421537548.db2.gz UDYDMTRQZTUEAK-AEGPPILISA-N 1 0 318.377 1.864 20 5 DDBDRO COC(=O)c1cc(C(=O)N2CCC(C[NH3+])CC2)cc([N+](=O)[O-])c1 ZINC000570568955 421654419 /nfs/dbraw/zinc/65/44/19/421654419.db2.gz YJTFQTHVEKFJBG-UHFFFAOYSA-N 1 0 321.333 1.192 20 5 DDBDRO CCN(CCC[NH+]1CCCC1)C(=O)c1cc([N+](=O)[O-])cn1C ZINC000530363178 421597778 /nfs/dbraw/zinc/59/77/78/421597778.db2.gz IXPHEJUKKBXINQ-UHFFFAOYSA-N 1 0 308.382 1.881 20 5 DDBDRO [NH3+]C[C@@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])CC12CCOCC2 ZINC000571761006 421743806 /nfs/dbraw/zinc/74/38/06/421743806.db2.gz BGWSVBLOODDYTE-GFCCVEGCSA-N 1 0 319.361 1.422 20 5 DDBDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC000558764587 421825018 /nfs/dbraw/zinc/82/50/18/421825018.db2.gz HMHBATUQMGNQQK-LLVKDONJSA-N 1 0 309.370 1.416 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)NCc3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000542778312 421829287 /nfs/dbraw/zinc/82/92/87/421829287.db2.gz KUWDZIAQYYHDGQ-HIFRSBDPSA-N 1 0 318.377 1.830 20 5 DDBDRO C[C@@H](C[NH3+])N(C)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000521877050 421803666 /nfs/dbraw/zinc/80/36/66/421803666.db2.gz UDFZVTUZAKLJCZ-LBPRGKRZSA-N 1 0 320.393 1.617 20 5 DDBDRO C[C@@H](CNC(=O)c1ccnc(N)c1[N+](=O)[O-])[N@@H+]1CCCC[C@H]1C ZINC000577294239 422383889 /nfs/dbraw/zinc/38/38/89/422383889.db2.gz MGMOGRLPXSVXFO-MNOVXSKESA-N 1 0 321.381 1.565 20 5 DDBDRO CC[C@H]1C[N@H+](C)CCCN1C(=O)c1ccnc(NC)c1[N+](=O)[O-] ZINC000597605244 422388677 /nfs/dbraw/zinc/38/86/77/422388677.db2.gz OTQWARRXCOUBTG-NSHDSACASA-N 1 0 321.381 1.588 20 5 DDBDRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)c2ccnc(N)c2[N+](=O)[O-])C1 ZINC000597922620 422392478 /nfs/dbraw/zinc/39/24/78/422392478.db2.gz JKTMMTUJDMYVLH-VIFPVBQESA-N 1 0 307.354 1.175 20 5 DDBDRO O=[N+]([O-])c1cnc2ccc(N3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)nn21 ZINC000579093993 422704742 /nfs/dbraw/zinc/70/47/42/422704742.db2.gz KPAXPBMBRHNFLW-VXGBXAGGSA-N 1 0 316.365 1.463 20 5 DDBDRO C[C@H](O)C[C@H](C)NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000341635468 271147714 /nfs/dbraw/zinc/14/77/14/271147714.db2.gz RDQFXAQHJGTQIC-QWRGUYRKSA-N 1 0 318.333 1.670 20 5 DDBDRO NC(=O)c1ccc(C[N@@H+]2CCCCC[C@@H]2CCO)c([N+](=O)[O-])c1 ZINC000342074447 271291205 /nfs/dbraw/zinc/29/12/05/271291205.db2.gz XEZPBTHPHPACLH-CQSZACIVSA-N 1 0 321.377 1.821 20 5 DDBDRO COC(=O)[C@](C)(O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000343997911 271928707 /nfs/dbraw/zinc/92/87/07/271928707.db2.gz YDNUFDCETJTWJP-OAHLLOKOSA-N 1 0 310.350 1.729 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NCCC[NH+]1CCCCC1 ZINC000344485405 272035917 /nfs/dbraw/zinc/03/59/17/272035917.db2.gz XIBCGQREDIDARM-UHFFFAOYSA-N 1 0 309.370 1.092 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000344593447 272066587 /nfs/dbraw/zinc/06/65/87/272066587.db2.gz CCUIQKISQUWMBO-LBPRGKRZSA-N 1 0 323.397 1.336 20 5 DDBDRO CC[C@@H]1COCCN1CC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001120590527 782042728 /nfs/dbraw/zinc/04/27/28/782042728.db2.gz YODALMMJTOHLSV-ZBFHGGJFSA-N 1 0 323.393 1.329 20 5 DDBDRO C[C@H]([NH2+][C@H]1COCC1(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000451815381 274530466 /nfs/dbraw/zinc/53/04/66/274530466.db2.gz ZMYBXVMIIKNOKV-GWCFXTLKSA-N 1 0 307.350 1.936 20 5 DDBDRO CC(C)(O)C[NH+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000106402215 275865410 /nfs/dbraw/zinc/86/54/10/275865410.db2.gz SWJVOHSDOCMSNE-UHFFFAOYSA-N 1 0 321.377 1.052 20 5 DDBDRO CC[N@H+](CCNC(=O)c1cc(OC)ccc1[N+](=O)[O-])C1CC1 ZINC000263702448 276130071 /nfs/dbraw/zinc/13/00/71/276130071.db2.gz IXSRPAYEYLVWFF-UHFFFAOYSA-N 1 0 307.350 1.818 20 5 DDBDRO C[N@@H+]1CCO[C@H]2CCN(c3c4c(ccc3[N+](=O)[O-])NCC4)C[C@@H]21 ZINC000408026840 277129710 /nfs/dbraw/zinc/12/97/10/277129710.db2.gz JJAOSVJPLOKGTO-GJZGRUSLSA-N 1 0 318.377 1.472 20 5 DDBDRO COC(=O)c1cnc(N2CCC[C@H]([NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000277252654 277447119 /nfs/dbraw/zinc/44/71/19/277447119.db2.gz VWAIDPOIPNMPPL-LBPRGKRZSA-N 1 0 322.365 1.697 20 5 DDBDRO C[C@@H]1CN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC[C@H]1[NH3+] ZINC000269182177 277852546 /nfs/dbraw/zinc/85/25/46/277852546.db2.gz DRUAWMKEMJAESG-MWLCHTKSSA-N 1 0 321.333 1.175 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCS(=O)(=O)N(C)C ZINC000449341205 278220684 /nfs/dbraw/zinc/22/06/84/278220684.db2.gz YEXCGOMCYSNCAA-LLVKDONJSA-N 1 0 315.395 1.007 20 5 DDBDRO C[C@@H](NC(=O)c1c(N)cccc1[N+](=O)[O-])C1=CC[N@H+](C)CC1 ZINC000272738699 278330123 /nfs/dbraw/zinc/33/01/23/278330123.db2.gz CLEHEUDGEADIMX-SNVBAGLBSA-N 1 0 304.350 1.557 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CO)c1ccnn1C ZINC000459719051 279382371 /nfs/dbraw/zinc/38/23/71/279382371.db2.gz RROHWKLXCMXSCC-YPMHNXCESA-N 1 0 304.350 1.583 20 5 DDBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)CC[NH+]1CCCC1 ZINC000089898163 281027062 /nfs/dbraw/zinc/02/70/62/281027062.db2.gz PEZPFUXKDPJKAG-ZDUSSCGKSA-N 1 0 320.393 1.949 20 5 DDBDRO CC(C)(C)[NH2+]CCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000128023129 281295159 /nfs/dbraw/zinc/29/51/59/281295159.db2.gz SDQZCLRFCJGNCM-UHFFFAOYSA-N 1 0 308.338 1.038 20 5 DDBDRO Cc1ccnc(NC2CC[NH+]([C@@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000301741048 281469915 /nfs/dbraw/zinc/46/99/15/281469915.db2.gz XVNNUORZELPUMF-CYBMUJFWSA-N 1 0 306.366 1.963 20 5 DDBDRO C[C@H]([NH3+])CCN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000423224404 289771554 /nfs/dbraw/zinc/77/15/54/289771554.db2.gz JBJWFMLEHGVOCA-SMDDNHRTSA-N 1 0 303.366 1.745 20 5 DDBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001120614481 782055313 /nfs/dbraw/zinc/05/53/13/782055313.db2.gz BYJDLQPYNMPVJC-IACUBPJLSA-N 1 0 304.350 1.329 20 5 DDBDRO Cn1ccnc1[C@H](NC[C@H]1CCC[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC000423234574 294428291 /nfs/dbraw/zinc/42/82/91/294428291.db2.gz LZFSVUJJGNJKJC-UKRRQHHQSA-N 1 0 315.377 1.759 20 5 DDBDRO [NH3+][C@@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000122447691 295302488 /nfs/dbraw/zinc/30/24/88/295302488.db2.gz MELDRYUNFQYFDY-SECBINFHSA-N 1 0 319.770 1.360 20 5 DDBDRO CCC[NH+]1CCC(N(C)C(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000572426330 304526614 /nfs/dbraw/zinc/52/66/14/304526614.db2.gz QAYOQIXRIAGPNX-UHFFFAOYSA-N 1 0 306.366 1.936 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCC(c2cn[nH]c2)CC1 ZINC000363148891 300220430 /nfs/dbraw/zinc/22/04/30/300220430.db2.gz RWVWEZHDBNVRKL-UHFFFAOYSA-N 1 0 317.349 1.359 20 5 DDBDRO C[NH+](C)CCN1CCCN(c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000364188275 300355234 /nfs/dbraw/zinc/35/52/34/300355234.db2.gz FQULYQCXTPJIGS-UHFFFAOYSA-N 1 0 310.373 1.808 20 5 DDBDRO C[N@@H+]1CC[C@H]2CCN(c3nc4sccn4c3[N+](=O)[O-])C[C@H]21 ZINC000364300809 300372327 /nfs/dbraw/zinc/37/23/27/300372327.db2.gz GURFOZRAFNSNMS-VHSXEESVSA-N 1 0 307.379 1.834 20 5 DDBDRO C[NH+](C)CCN1CCCN(c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000364428209 300395018 /nfs/dbraw/zinc/39/50/18/300395018.db2.gz WEBCHSXYTVQAHA-UHFFFAOYSA-N 1 0 310.373 1.808 20 5 DDBDRO CNc1ccc(C(=O)N2CCC[C@@H](C[NH2+]C)C2)cc1[N+](=O)[O-] ZINC000574934765 304699520 /nfs/dbraw/zinc/69/95/20/304699520.db2.gz FVSMSGLDNMGYPU-NSHDSACASA-N 1 0 306.366 1.708 20 5 DDBDRO O=[N+]([O-])c1cccc(S(=O)(=O)N[C@H]2CC23CC[NH2+]CC3)c1 ZINC000368320908 301002197 /nfs/dbraw/zinc/00/21/97/301002197.db2.gz GQWIEGXQTJBUNM-LBPRGKRZSA-N 1 0 311.363 1.015 20 5 DDBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc(F)cc3[N+](=O)[O-])C[C@H]21 ZINC000368590252 301060207 /nfs/dbraw/zinc/06/02/07/301060207.db2.gz KJKJCAFWGXTFHR-IINYFYTJSA-N 1 0 307.325 1.900 20 5 DDBDRO Cc1c(C(=O)N2CCC[N@@H+]([C@@H](C)CO)CC2)cccc1[N+](=O)[O-] ZINC000368967057 301112903 /nfs/dbraw/zinc/11/29/03/301112903.db2.gz UOUXEVPBLJWGPG-LBPRGKRZSA-N 1 0 321.377 1.432 20 5 DDBDRO Cc1c(C[N@@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)cccc1[N+](=O)[O-] ZINC000368976268 301115465 /nfs/dbraw/zinc/11/54/65/301115465.db2.gz VGECAVZOBQBKCJ-GZBFAFLISA-N 1 0 303.362 1.989 20 5 DDBDRO O=[N+]([O-])c1ccccc1CN1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000369282391 301156190 /nfs/dbraw/zinc/15/61/90/301156190.db2.gz ZUHJQAROACAONE-HOTGVXAUSA-N 1 0 305.378 1.626 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH+]2CCC3(CCO3)CC2)c1 ZINC000369326428 301165422 /nfs/dbraw/zinc/16/54/22/301165422.db2.gz HMJZGLGKZFTHNN-CQSZACIVSA-N 1 0 322.361 1.589 20 5 DDBDRO Cc1nn(CCC(=O)N(C)[C@H]2CCC[NH2+]CC2)c(C)c1[N+](=O)[O-] ZINC000369750116 301220236 /nfs/dbraw/zinc/22/02/36/301220236.db2.gz LDMBHMISZHXZQY-ZDUSSCGKSA-N 1 0 323.397 1.399 20 5 DDBDRO C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)[C@H]1C[C@@H]1[N+](=O)[O-] ZINC000369998242 301254558 /nfs/dbraw/zinc/25/45/58/301254558.db2.gz QRCPFOHZFWNPPX-KBMXLJTQSA-N 1 0 317.389 1.775 20 5 DDBDRO CCC[N@@H+]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000370092584 301274474 /nfs/dbraw/zinc/27/44/74/301274474.db2.gz ZGUVTBJZNJIKIT-UHFFFAOYSA-N 1 0 306.366 1.735 20 5 DDBDRO Cc1ccc(C)c(S(=O)(=O)N(C)[C@@H]2CC[NH2+]C2)c1[N+](=O)[O-] ZINC000193271090 301549528 /nfs/dbraw/zinc/54/95/28/301549528.db2.gz FRLOKDJOFVELFO-LLVKDONJSA-N 1 0 313.379 1.194 20 5 DDBDRO COC(=O)c1cc(NC(=O)[C@@H]2CCCCC[NH2+]2)cc([N+](=O)[O-])c1 ZINC000372492017 301581341 /nfs/dbraw/zinc/58/13/41/301581341.db2.gz QDTGCVMGOJKCTC-ZDUSSCGKSA-N 1 0 321.333 1.852 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H]1CCCC[NH2+]C1 ZINC000070120761 302049578 /nfs/dbraw/zinc/04/95/78/302049578.db2.gz IZBCTLDMPKVDTF-NSHDSACASA-N 1 0 313.379 1.324 20 5 DDBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000376398157 302072382 /nfs/dbraw/zinc/07/23/82/302072382.db2.gz UTPYUGMPSWTDEK-MNOVXSKESA-N 1 0 307.354 1.027 20 5 DDBDRO O=C(Nc1cnc2c(c1)C[NH2+]CC2)c1ccc([N+](=O)[O-])s1 ZINC000378394897 302320830 /nfs/dbraw/zinc/32/08/30/302320830.db2.gz ANWRBPCVKHJVPL-UHFFFAOYSA-N 1 0 304.331 1.949 20 5 DDBDRO C[NH+](C)C1(CNc2c(Br)cncc2[N+](=O)[O-])CC1 ZINC000397813185 302356146 /nfs/dbraw/zinc/35/61/46/302356146.db2.gz ZKJBZTPSYKTKQV-UHFFFAOYSA-N 1 0 315.171 1.680 20 5 DDBDRO Cc1cc(S(=O)(=O)N[C@H](C)C[C@H](C)[NH3+])c(C)cc1[N+](=O)[O-] ZINC000514678799 302738897 /nfs/dbraw/zinc/73/88/97/302738897.db2.gz VNCYDWZYLPVQIL-WDEREUQCSA-N 1 0 315.395 1.616 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@@H]2c2ccccn2)c1 ZINC000530963067 303222813 /nfs/dbraw/zinc/22/28/13/303222813.db2.gz BJBIZILWCHPDFY-UKRRQHHQSA-N 1 0 317.349 1.384 20 5 DDBDRO CC(C)(C)[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000532141373 303276947 /nfs/dbraw/zinc/27/69/47/303276947.db2.gz LPZIUGZYEPNLNY-UHFFFAOYSA-N 1 0 306.366 1.983 20 5 DDBDRO COc1cc(C[N@@H+]2CC[C@](O)(C3CC3)C2)c([N+](=O)[O-])cc1OC ZINC000369683107 307126596 /nfs/dbraw/zinc/12/65/96/307126596.db2.gz IXKOHSMTTVHZFX-MRXNPFEDSA-N 1 0 322.361 1.959 20 5 DDBDRO O=C(CC[N@H+]1C[C@H]2CC[C@@H](C1)O2)Nc1ccc([N+](=O)[O-])cc1 ZINC000374092034 307203309 /nfs/dbraw/zinc/20/33/09/307203309.db2.gz HULCTILOPSUZKR-OKILXGFUSA-N 1 0 305.334 1.787 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@H](c3nc(C4CC4)no3)C2)n1 ZINC000375431863 307226184 /nfs/dbraw/zinc/22/61/84/307226184.db2.gz TVWRURBDUHWQLQ-NSHDSACASA-N 1 0 318.337 1.541 20 5 DDBDRO CC(C)[N@@H+]1CCO[C@H](C(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000376660569 307252255 /nfs/dbraw/zinc/25/22/55/307252255.db2.gz OWFXZHNSARVHPS-HNNXBMFYSA-N 1 0 321.377 1.363 20 5 DDBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3cccc([N+](=O)[O-])c3F)C[C@H]21 ZINC000376662928 307252465 /nfs/dbraw/zinc/25/24/65/307252465.db2.gz DANQRIJTORCLAL-GXFFZTMASA-N 1 0 307.325 1.900 20 5 DDBDRO COCC[C@]1(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC[NH2+]C1 ZINC000376695912 307254139 /nfs/dbraw/zinc/25/41/39/307254139.db2.gz SJUUWDRJEFHAPF-MRXNPFEDSA-N 1 0 321.377 1.270 20 5 DDBDRO O=C(c1ccc([N+](=O)[O-])cn1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000378141182 307282770 /nfs/dbraw/zinc/28/27/70/307282770.db2.gz KCZGOMWOGAISCO-CYBMUJFWSA-N 1 0 318.377 1.938 20 5 DDBDRO CNc1ccc(C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1[N+](=O)[O-] ZINC000516001709 307410306 /nfs/dbraw/zinc/41/03/06/307410306.db2.gz KYXWYUHJUDZKHZ-NEPJUHHUSA-N 1 0 304.350 1.318 20 5 DDBDRO COc1ccc(CC(=O)NCC[NH2+]C(C)(C)C)cc1[N+](=O)[O-] ZINC000525246136 307482497 /nfs/dbraw/zinc/48/24/97/307482497.db2.gz NONQXMZPBZGCEI-UHFFFAOYSA-N 1 0 309.366 1.650 20 5 DDBDRO CC[C@H](C)[C@@H](O)C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000564977017 308015220 /nfs/dbraw/zinc/01/52/20/308015220.db2.gz VUOHYFKMJRQNJY-FZMZJTMJSA-N 1 0 309.366 1.920 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@H]2CCC[C@H]2C2CC2)c1 ZINC000566120659 308044153 /nfs/dbraw/zinc/04/41/53/308044153.db2.gz NZFCVTNCOGLAKO-YUELXQCFSA-N 1 0 308.382 1.568 20 5 DDBDRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000566850374 308065109 /nfs/dbraw/zinc/06/51/09/308065109.db2.gz SSUHJWKMYNWAIS-KOLCDFICSA-N 1 0 321.333 1.665 20 5 DDBDRO C[C@@H]1CC[N@H+](CC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000567178776 308075115 /nfs/dbraw/zinc/07/51/15/308075115.db2.gz PSIHNVINLIDZSW-CYBMUJFWSA-N 1 0 305.378 1.938 20 5 DDBDRO C[C@@H](Cn1cncn1)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000567680711 308089206 /nfs/dbraw/zinc/08/92/06/308089206.db2.gz CUYZILOEFMQMSF-NSHDSACASA-N 1 0 318.337 1.193 20 5 DDBDRO CN1CCC[C@@H]1C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000567691549 308090849 /nfs/dbraw/zinc/09/08/49/308090849.db2.gz ZHMJSIHLWCHWIS-GFCCVEGCSA-N 1 0 306.366 1.607 20 5 DDBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@H](O)C1CCOCC1 ZINC000569472980 308145300 /nfs/dbraw/zinc/14/53/00/308145300.db2.gz UDUHFCWWMPBLAY-HOCLYGCPSA-N 1 0 306.362 1.959 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000570449191 308169791 /nfs/dbraw/zinc/16/97/91/308169791.db2.gz OMEDHZUSSCQILM-UWVGGRQHSA-N 1 0 310.354 1.528 20 5 DDBDRO C[C@H](CCCC(F)(F)F)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000575175113 308271677 /nfs/dbraw/zinc/27/16/77/308271677.db2.gz FRAWYHSRFUDTQS-KOLCDFICSA-N 1 0 324.303 1.863 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)n1 ZINC000576686349 308331949 /nfs/dbraw/zinc/33/19/49/308331949.db2.gz KZOPGTSBJZXLKC-ONGXEEELSA-N 1 0 307.354 1.024 20 5 DDBDRO O=C(Cc1ccccc1[N+](=O)[O-])N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000578315481 308453011 /nfs/dbraw/zinc/45/30/11/308453011.db2.gz UNBJHPWJNQVNIG-INIZCTEOSA-N 1 0 303.362 1.739 20 5 DDBDRO COc1ccc(CC(=O)N2CCCC[C@H]2[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000579702864 308551260 /nfs/dbraw/zinc/55/12/60/308551260.db2.gz PYRYUZPZIRUXHT-AAEUAGOBSA-N 1 0 321.377 1.874 20 5 DDBDRO CC[NH+]1CCC(CNc2ncc(C(=O)OC)cc2[N+](=O)[O-])CC1 ZINC000580986744 308645390 /nfs/dbraw/zinc/64/53/90/308645390.db2.gz IPDZGMCYWROPMY-UHFFFAOYSA-N 1 0 322.365 1.920 20 5 DDBDRO O=C(CC[NH2+][C@@H](CO)CC(F)F)Nc1ccccc1[N+](=O)[O-] ZINC000582122763 325975095 /nfs/dbraw/zinc/97/50/95/325975095.db2.gz YXZMVHUGQQZLHZ-SECBINFHSA-N 1 0 317.292 1.529 20 5 DDBDRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000583375661 332371311 /nfs/dbraw/zinc/37/13/11/332371311.db2.gz LVBOOVOBTFHGAV-WPRPVWTQSA-N 1 0 307.306 1.194 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C[C@H](O)C2CCC2)c1 ZINC000582845956 337206522 /nfs/dbraw/zinc/20/65/22/337206522.db2.gz RMKYYWUNUJQXNJ-ZFWWWQNUSA-N 1 0 310.350 1.085 20 5 DDBDRO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000583135320 337243185 /nfs/dbraw/zinc/24/31/85/337243185.db2.gz PBKJECCCHADNNH-UKRRQHHQSA-N 1 0 306.366 1.713 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H](CO)[C@H]1C ZINC000488801830 484219046 /nfs/dbraw/zinc/21/90/46/484219046.db2.gz NHVIXJIZBKDJLO-OLZOCXBDSA-N 1 0 321.377 1.935 20 5 DDBDRO Cc1ccc(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)cc1[N+](=O)[O-] ZINC000307804625 484376958 /nfs/dbraw/zinc/37/69/58/484376958.db2.gz CIEWFGTXYMKQQI-JTQLQIEISA-N 1 0 305.256 1.913 20 5 DDBDRO COC(=O)c1cc(C(=O)N[C@H]2CC[NH2+][C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000423621561 533744458 /nfs/dbraw/zinc/74/44/58/533744458.db2.gz KVBJLSAFTVOBIZ-CABZTGNLSA-N 1 0 321.333 1.252 20 5 DDBDRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)c1csc([N+](=O)[O-])c1 ZINC000452348121 534573656 /nfs/dbraw/zinc/57/36/56/534573656.db2.gz KOINODGLXODLFB-NSHDSACASA-N 1 0 313.379 1.233 20 5 DDBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCCO[C@H](C[NH3+])C1 ZINC000420392039 528210500 /nfs/dbraw/zinc/21/05/00/528210500.db2.gz PDLVXDPZAHIQNK-OAHLLOKOSA-N 1 0 323.393 1.932 20 5 DDBDRO CC(C)[C@@H]([NH3+])CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000429139450 528530138 /nfs/dbraw/zinc/53/01/38/528530138.db2.gz HGQDVPOBZMFOOB-ZDUSSCGKSA-N 1 0 317.349 1.494 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@H+](CC)C2)c1 ZINC000412880633 528612162 /nfs/dbraw/zinc/61/21/62/528612162.db2.gz RMMQGIFZQGCBDS-NSHDSACASA-N 1 0 307.350 1.818 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[NH2+][C@H](C)C2)c1 ZINC000423631487 528612246 /nfs/dbraw/zinc/61/22/46/528612246.db2.gz ZYLCIJZRJQDMPP-GHMZBOCLSA-N 1 0 307.350 1.864 20 5 DDBDRO CC(C)[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000490289062 528723549 /nfs/dbraw/zinc/72/35/49/528723549.db2.gz FSYKPJDFVVCBPH-HNNXBMFYSA-N 1 0 305.378 1.936 20 5 DDBDRO COc1ccc(S(=O)(=O)N[C@@H](C)CCC[NH3+])c([N+](=O)[O-])c1 ZINC000336847711 536877784 /nfs/dbraw/zinc/87/77/84/536877784.db2.gz GBHINMNQLLIWJX-VIFPVBQESA-N 1 0 317.367 1.009 20 5 DDBDRO CC[N@H+](CCNc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1)C(C)C ZINC000736537511 598352706 /nfs/dbraw/zinc/35/27/06/598352706.db2.gz VLSXCRSXXFZGMS-UHFFFAOYSA-N 1 0 319.369 1.917 20 5 DDBDRO CC[C@@H](C)[N@H+](C)CCNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC000820877006 606706251 /nfs/dbraw/zinc/70/62/51/606706251.db2.gz XZXURUGLDJSLBQ-SECBINFHSA-N 1 0 320.357 1.312 20 5 DDBDRO COc1cc(C[NH2+]CCC[S@](C)=O)c([N+](=O)[O-])cc1OC ZINC000116918673 696669025 /nfs/dbraw/zinc/66/90/25/696669025.db2.gz BPJCVIYJYRFQCP-OAQYLSRUSA-N 1 0 316.379 1.470 20 5 DDBDRO C[NH+](C)C1(C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)CCC1 ZINC000119395514 696680252 /nfs/dbraw/zinc/68/02/52/696680252.db2.gz ZWYPMFIBDJZSJE-UHFFFAOYSA-N 1 0 303.362 1.964 20 5 DDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CCC[N@H+](CC1CCCC1)C2 ZINC000981764144 696907388 /nfs/dbraw/zinc/90/73/88/696907388.db2.gz OHEJRPVULRNBPQ-HUUCEWRRSA-N 1 0 321.421 1.766 20 5 DDBDRO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C[C@H](C)[NH2+]1 ZINC000153603885 696918901 /nfs/dbraw/zinc/91/89/01/696918901.db2.gz SNSMFSRAOONHDN-DTORHVGOSA-N 1 0 308.294 1.325 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]C[C@H]1C[C@H](NC(=O)CC2CC2)C1 ZINC000982999072 697199726 /nfs/dbraw/zinc/19/97/26/697199726.db2.gz YYKKOKDOWDNUMF-HAQNSBGRSA-N 1 0 321.381 1.113 20 5 DDBDRO O=C(N[C@H]1C[C@H](C[NH2+]CC2=CCCCC2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000983655804 697286955 /nfs/dbraw/zinc/28/69/55/697286955.db2.gz VOJWNYYIVSIQKF-KBUPBQIOSA-N 1 0 307.394 1.636 20 5 DDBDRO COc1ccc(C[NH2+]C[C@H](O)c2ccc(F)cn2)cc1[N+](=O)[O-] ZINC000799612056 700153206 /nfs/dbraw/zinc/15/32/06/700153206.db2.gz GAMAEGAIQODMHE-AWEZNQCLSA-N 1 0 321.308 1.961 20 5 DDBDRO COc1ccc(C[NH2+]C[C@@H](O)c2ccc(F)cn2)cc1[N+](=O)[O-] ZINC000799612057 700153364 /nfs/dbraw/zinc/15/33/64/700153364.db2.gz GAMAEGAIQODMHE-CQSZACIVSA-N 1 0 321.308 1.961 20 5 DDBDRO Cc1nn(C)c(C)c1CC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000749674372 700176378 /nfs/dbraw/zinc/17/63/78/700176378.db2.gz XAJCJEKCJUPBAP-INIZCTEOSA-N 1 0 318.377 1.811 20 5 DDBDRO COCC[C@]1([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCOC1 ZINC000773947159 697825901 /nfs/dbraw/zinc/82/59/01/697825901.db2.gz DIZPCSYFLFRVKR-CABCVRRESA-N 1 0 310.350 1.413 20 5 DDBDRO CC1(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)OCCO1 ZINC000774265515 697860765 /nfs/dbraw/zinc/86/07/65/697860765.db2.gz FMAYIHYTDDOWNJ-NWDGAFQWSA-N 1 0 310.354 1.628 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CC[C@H]([C@@H]3CCOC3)C2)cc1 ZINC000776591753 698123592 /nfs/dbraw/zinc/12/35/92/698123592.db2.gz WMRATURRMVCFQH-SQWLQELKSA-N 1 0 306.362 1.987 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)NCC1([NH+](C)C)CCCCC1 ZINC000776841710 698143583 /nfs/dbraw/zinc/14/35/83/698143583.db2.gz XXPMJEYUBXRVLK-UHFFFAOYSA-N 1 0 323.397 1.480 20 5 DDBDRO Cc1n[nH]c(C(=O)NC[C@H]2[NH2+]CCc3ccccc32)c1[N+](=O)[O-] ZINC000262426923 698469315 /nfs/dbraw/zinc/46/93/15/698469315.db2.gz SJSYMTWMOYWBQP-GFCCVEGCSA-N 1 0 315.333 1.243 20 5 DDBDRO COc1cc(F)c([N+](=O)[O-])c(NCC[N@@H+]2CCCOCC2)c1 ZINC000782418722 698723503 /nfs/dbraw/zinc/72/35/03/698723503.db2.gz WLWYHOVSNZXWDJ-UHFFFAOYSA-N 1 0 313.329 1.877 20 5 DDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000786922548 699180131 /nfs/dbraw/zinc/18/01/31/699180131.db2.gz ISHQUXRFQVNLHJ-LLVKDONJSA-N 1 0 304.350 1.391 20 5 DDBDRO COc1ccc(CC(=O)N[C@@H](C[NH+](C)C)C(C)C)cc1[N+](=O)[O-] ZINC000727862672 699428733 /nfs/dbraw/zinc/42/87/33/699428733.db2.gz PHVKSSHBJRBOCK-ZDUSSCGKSA-N 1 0 323.393 1.848 20 5 DDBDRO CC(C)(CO)N1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000735833005 699705030 /nfs/dbraw/zinc/70/50/30/699705030.db2.gz VGIVAQMYVUEAEI-UHFFFAOYSA-N 1 0 324.337 1.396 20 5 DDBDRO CC1(C)NC(=O)CC[C@@H]1[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000801975368 700361701 /nfs/dbraw/zinc/36/17/01/700361701.db2.gz FTPXRNVVNSNGPA-STQMWFEESA-N 1 0 307.350 1.275 20 5 DDBDRO O=C(NCCNc1cc[nH+]cc1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000755694594 700578297 /nfs/dbraw/zinc/57/82/97/700578297.db2.gz NIVIXFUPJDTZKJ-UHFFFAOYSA-N 1 0 320.736 1.907 20 5 DDBDRO Cc1cc(F)cc(C(=O)NCCN2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000758390755 700702935 /nfs/dbraw/zinc/70/29/35/700702935.db2.gz UKNKXFVAKVKPAC-UHFFFAOYSA-N 1 0 324.356 1.020 20 5 DDBDRO COc1ccc(NC(=O)CN2CC[N@H+](C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000761068762 700838237 /nfs/dbraw/zinc/83/82/37/700838237.db2.gz JKEYCIQWFNGFHZ-LLVKDONJSA-N 1 0 322.365 1.178 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](CCO)C1CC1 ZINC000763071027 700923961 /nfs/dbraw/zinc/92/39/61/700923961.db2.gz XISYGDBFEVXBGC-CQSZACIVSA-N 1 0 321.377 1.982 20 5 DDBDRO CCN(CCCO)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000764280318 700965962 /nfs/dbraw/zinc/96/59/62/700965962.db2.gz UGLDXNGHYRHUFY-UHFFFAOYSA-N 1 0 315.757 1.891 20 5 DDBDRO COCC[N@@H+]1CC[C@@H](Nc2c([N+](=O)[O-])cccc2[N+](=O)[O-])C1 ZINC000804442358 701190594 /nfs/dbraw/zinc/19/05/94/701190594.db2.gz VOSTUYPDQLAFDV-SNVBAGLBSA-N 1 0 310.310 1.636 20 5 DDBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@@H](CCO)C2CC2)cccc1[N+](=O)[O-] ZINC000771795216 701330868 /nfs/dbraw/zinc/33/08/68/701330868.db2.gz IQCBRAKWYRMEJJ-FZMZJTMJSA-N 1 0 321.377 1.981 20 5 DDBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H](CO)C2CC2)c([N+](=O)[O-])c1 ZINC000771817611 701332978 /nfs/dbraw/zinc/33/29/78/701332978.db2.gz HQVJPHLQMNBDML-TVQRCGJNSA-N 1 0 323.349 1.291 20 5 DDBDRO Cn1ncc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000806167021 701428400 /nfs/dbraw/zinc/42/84/00/701428400.db2.gz GWBMDFPIVGRDAU-UHFFFAOYSA-N 1 0 316.365 1.482 20 5 DDBDRO C[C@H]([NH2+][C@H](CO)C1CCOCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815615856 701904146 /nfs/dbraw/zinc/90/41/46/701904146.db2.gz ZGAZNZYHYDBYDQ-IINYFYTJSA-N 1 0 309.366 1.615 20 5 DDBDRO COCCOCC[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866242446 706656911 /nfs/dbraw/zinc/65/69/11/706656911.db2.gz LVJGMTSHHNLCRT-LLVKDONJSA-N 1 0 300.330 1.918 20 5 DDBDRO [NH3+]C[C@@H]1CN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CCO1 ZINC000841011183 702308846 /nfs/dbraw/zinc/30/88/46/702308846.db2.gz MAMSIGCNOBROSJ-SECBINFHSA-N 1 0 314.729 1.440 20 5 DDBDRO [NH3+]C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CCCO1 ZINC000818013057 702553765 /nfs/dbraw/zinc/55/37/65/702553765.db2.gz XUGBPYQPAAUHHU-JTQLQIEISA-N 1 0 313.741 1.438 20 5 DDBDRO COC(=O)N(C)CC[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866389653 706687888 /nfs/dbraw/zinc/68/78/88/706687888.db2.gz HSZJHPLWHLKNFO-JTQLQIEISA-N 1 0 313.329 1.953 20 5 DDBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H](O)[C@H]1CCCO1 ZINC000866396132 706688977 /nfs/dbraw/zinc/68/89/77/706688977.db2.gz NLNPSVJEIVNPHY-WKPIXPDZSA-N 1 0 312.341 1.794 20 5 DDBDRO C[NH2+]C[C@@H](C)c1noc(COc2ccc([N+](=O)[O-])c(OC)c2)n1 ZINC000842583089 702736490 /nfs/dbraw/zinc/73/64/90/702736490.db2.gz QZGITAOTWYQANZ-SECBINFHSA-N 1 0 322.321 1.888 20 5 DDBDRO O=[N+]([O-])c1ccc2cnn(Cc3nc([C@@H]4CCC[NH2+]4)no3)c2c1 ZINC000842640577 702748179 /nfs/dbraw/zinc/74/81/79/702748179.db2.gz JUXOSEKZVWJBFT-NSHDSACASA-N 1 0 314.305 1.800 20 5 DDBDRO CS[C@H](CO)[C@H](C)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843083819 702815898 /nfs/dbraw/zinc/81/58/98/702815898.db2.gz RMHCGGQZZHGBHD-TVYUQYBPSA-N 1 0 300.380 1.330 20 5 DDBDRO CC(C)c1[nH]nc(-c2nc(C3CC[NH2+]CC3)no2)c1[N+](=O)[O-] ZINC000843137607 702827058 /nfs/dbraw/zinc/82/70/58/702827058.db2.gz FJRSKEHIQNJCIQ-UHFFFAOYSA-N 1 0 306.326 1.958 20 5 DDBDRO Cc1cc(Cc2noc([C@@H]3C[NH2+]CCO3)n2)ccc1[N+](=O)[O-] ZINC000843192907 702838518 /nfs/dbraw/zinc/83/85/18/702838518.db2.gz ZLVKOMYEBWQHAM-LBPRGKRZSA-N 1 0 304.306 1.538 20 5 DDBDRO COc1cc(Cc2noc(CC[NH3+])n2)c([N+](=O)[O-])c(OC)c1 ZINC000843225521 702846184 /nfs/dbraw/zinc/84/61/84/702846184.db2.gz JQIDMQMEGDKZAR-UHFFFAOYSA-N 1 0 308.294 1.087 20 5 DDBDRO [NH3+]CCCCCCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000843507192 702896747 /nfs/dbraw/zinc/89/67/47/702896747.db2.gz RSKNNFKPKGEZDX-UHFFFAOYSA-N 1 0 323.349 1.615 20 5 DDBDRO C[C@H]([NH2+]CC[C@@]1(O)CCCOC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000846215267 703251885 /nfs/dbraw/zinc/25/18/85/703251885.db2.gz ZSGZMETWKWCRQV-NHYWBVRUSA-N 1 0 309.366 1.759 20 5 DDBDRO Nc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000848353160 703542247 /nfs/dbraw/zinc/54/22/47/703542247.db2.gz YIITWRMBONOIPY-OLZOCXBDSA-N 1 0 319.365 1.319 20 5 DDBDRO Cc1c(C(=O)N2CC[C@](C)(C[NH3+])C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000818594413 703933865 /nfs/dbraw/zinc/93/38/65/703933865.db2.gz OUYXGWHQSCVEJV-CQSZACIVSA-N 1 0 322.321 1.622 20 5 DDBDRO CC[C@H](C)NC(=O)CC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818965902 704036608 /nfs/dbraw/zinc/03/66/08/704036608.db2.gz XDTVSWDCVOMRRS-SMDDNHRTSA-N 1 0 309.366 1.523 20 5 DDBDRO O=C1OCCN1[C@@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000852432208 704044850 /nfs/dbraw/zinc/04/48/50/704044850.db2.gz JANRVEWSTGLAQR-CQSZACIVSA-N 1 0 305.334 1.664 20 5 DDBDRO C[C@@H](C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)CN1CCOCC1 ZINC000819089593 704068460 /nfs/dbraw/zinc/06/84/60/704068460.db2.gz LVKDNZMCTDUMQG-XJKSGUPXSA-N 1 0 323.393 1.186 20 5 DDBDRO CC(C)OC(=O)[C@H](C)C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819116388 704071755 /nfs/dbraw/zinc/07/17/55/704071755.db2.gz SDABQQGFFGJMNM-BXUZGUMPSA-N 1 0 310.350 1.806 20 5 DDBDRO C[C@@H]1C[C@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CN1C1CC1 ZINC000819143955 704075504 /nfs/dbraw/zinc/07/55/04/704075504.db2.gz RLQOLPUWMNLYPX-PVXIVEMSSA-N 1 0 305.378 1.843 20 5 DDBDRO C[C@H](C[C@H]1CCCC[N@@H+]1C)OC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000870789514 704132496 /nfs/dbraw/zinc/13/24/96/704132496.db2.gz HFZLOLUEBLJUSD-CHWSQXEVSA-N 1 0 324.381 1.988 20 5 DDBDRO O=C(C=C1CC[NH2+]CC1)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000852838798 704143322 /nfs/dbraw/zinc/14/33/22/704143322.db2.gz PAXAEUIAIIMKSS-UHFFFAOYSA-N 1 0 305.334 1.400 20 5 DDBDRO [NH3+]C[C@H]1CC(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)=NO1 ZINC000852884383 704160142 /nfs/dbraw/zinc/16/01/42/704160142.db2.gz WVMJUIUVIMADFX-CYBMUJFWSA-N 1 0 318.333 1.189 20 5 DDBDRO COCC(C)(C)[NH+]1CCN(c2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000819942726 704189772 /nfs/dbraw/zinc/18/97/72/704189772.db2.gz JUTRBNBFLLWKKN-UHFFFAOYSA-N 1 0 308.382 1.724 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)n1 ZINC000853964782 704341314 /nfs/dbraw/zinc/34/13/14/704341314.db2.gz AMQFURYJWQCGDX-CYBMUJFWSA-N 1 0 306.366 1.334 20 5 DDBDRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)[C@H]3C[C@H]3c3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC000821756818 704439007 /nfs/dbraw/zinc/43/90/07/704439007.db2.gz AWFYBCSQAVMDPY-RFBLXINOSA-N 1 0 315.373 1.717 20 5 DDBDRO CCN(C(=O)c1cc([N+](=O)[O-])ccc1N)[C@@H]1CC[N@H+](CC)C1 ZINC000855490880 704487541 /nfs/dbraw/zinc/48/75/41/704487541.db2.gz LGRBEUSZTVFDPO-GFCCVEGCSA-N 1 0 306.366 1.733 20 5 DDBDRO CC(C)(CCC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)[N+](=O)[O-] ZINC000856098889 704513381 /nfs/dbraw/zinc/51/33/81/704513381.db2.gz VJRATEKZVQWNOK-ZDUSSCGKSA-N 1 0 313.398 1.191 20 5 DDBDRO C[C@H]1CN(C(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000857764809 704621956 /nfs/dbraw/zinc/62/19/56/704621956.db2.gz BCHKOQFRGQZEOM-VIFPVBQESA-N 1 0 315.276 1.387 20 5 DDBDRO C[C@@H]([NH2+][C@H]1CCN(C2CCC2)C1=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000858603913 704733544 /nfs/dbraw/zinc/73/35/44/704733544.db2.gz XTJLJHHRFBFHBY-YGRLFVJLSA-N 1 0 318.377 1.981 20 5 DDBDRO C[C@@H]1C[N@H+](CCO)CCN1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000832783684 706983485 /nfs/dbraw/zinc/98/34/85/706983485.db2.gz SYZGQGGXXKCBNZ-LLVKDONJSA-N 1 0 324.337 1.001 20 5 DDBDRO O=C(NC[C@H]1COCC[NH2+]1)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000859646981 704961550 /nfs/dbraw/zinc/96/15/50/704961550.db2.gz YSPCYILYUQGKEX-VIFPVBQESA-N 1 0 314.729 1.358 20 5 DDBDRO CN(CCOCC[NH3+])C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000859686911 704974026 /nfs/dbraw/zinc/97/40/26/704974026.db2.gz XPNUJGQGFKSICJ-UHFFFAOYSA-N 1 0 316.745 1.687 20 5 DDBDRO O=C(C[NH+]1CCCC1)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000822987274 705102545 /nfs/dbraw/zinc/10/25/45/705102545.db2.gz NGTBDOBYFNMOLF-UHFFFAOYSA-N 1 0 316.361 1.831 20 5 DDBDRO COC[C@@]1(c2nc(-c3cccc([N+](=O)[O-])c3C)no2)CC[NH2+]C1 ZINC000823270723 705189994 /nfs/dbraw/zinc/18/99/94/705189994.db2.gz VABOPTYCSWFXNH-OAHLLOKOSA-N 1 0 318.333 1.831 20 5 DDBDRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000874834294 705192277 /nfs/dbraw/zinc/19/22/77/705192277.db2.gz QWBCFIGOYMITMK-KGLIPLIRSA-N 1 0 304.350 1.486 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000874842455 705197523 /nfs/dbraw/zinc/19/75/23/705197523.db2.gz HSLDRILZNQFZLX-CHWSQXEVSA-N 1 0 321.381 1.185 20 5 DDBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823927160 705340631 /nfs/dbraw/zinc/34/06/31/705340631.db2.gz OMDOCJGYNQVRNN-NSHDSACASA-N 1 0 307.354 1.735 20 5 DDBDRO CC[N@@H+]1CC[C@H](CNC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000825378905 705658051 /nfs/dbraw/zinc/65/80/51/705658051.db2.gz IXCDWRQYSZWIDU-RISCZKNCSA-N 1 0 307.350 1.086 20 5 DDBDRO CC[C@H](C)[N@H+](C)CCNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825615412 705703335 /nfs/dbraw/zinc/70/33/35/705703335.db2.gz VOVQYDSIGGGLGZ-FZMZJTMJSA-N 1 0 309.366 1.475 20 5 DDBDRO O=C(/C=C/[C@H]1CCC[NH2+]C1)NCCc1ccccc1[N+](=O)[O-] ZINC000876681663 705816814 /nfs/dbraw/zinc/81/68/14/705816814.db2.gz XEBXJSNCTGTHNM-SBDDDAINSA-N 1 0 303.362 1.809 20 5 DDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]CCCOC[C@@H]3CCCO3)C2)c1 ZINC000876900954 705915742 /nfs/dbraw/zinc/91/57/42/705915742.db2.gz VMDKJFZNRHWPDB-PIMMBPRGSA-N 1 0 324.381 1.670 20 5 DDBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@@H](F)[C@H]1CC[NH2+]C1)CC2 ZINC000876904748 705917499 /nfs/dbraw/zinc/91/74/99/705917499.db2.gz JSLQJZXVBZDHCV-FZMZJTMJSA-N 1 0 307.325 1.740 20 5 DDBDRO COc1ccc(NC(=O)[C@H](C)N(C)C[C@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000863566248 705959578 /nfs/dbraw/zinc/95/95/78/705959578.db2.gz FXITWPNQLKUYMK-UWVGGRQHSA-N 1 0 310.354 1.209 20 5 DDBDRO C[C@H]([NH3+])CN(C)CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000863567468 705960131 /nfs/dbraw/zinc/96/01/31/705960131.db2.gz CVLLAPLOUQBCKO-JTQLQIEISA-N 1 0 308.338 1.172 20 5 DDBDRO O=C1[C@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCN1C1CCC1 ZINC000863590167 705965675 /nfs/dbraw/zinc/96/56/75/705965675.db2.gz FFMSRUMXRBKZLE-CABCVRRESA-N 1 0 319.361 1.371 20 5 DDBDRO C[C@@H](CO[C@H]1CCOC1)[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877093682 705980903 /nfs/dbraw/zinc/98/09/03/705980903.db2.gz UTCMZLDCKYDHAP-BBCYWQGDSA-N 1 0 310.354 1.278 20 5 DDBDRO O=[N+]([O-])c1ccc(CO)c(-c2cnn(CC3CC[NH2+]CC3)c2)c1 ZINC000863715001 705994250 /nfs/dbraw/zinc/99/42/50/705994250.db2.gz BIDVDGIYNSRPJT-UHFFFAOYSA-N 1 0 316.361 1.950 20 5 DDBDRO COc1cc(C(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)cc([N+](=O)[O-])c1C ZINC000877277773 706045927 /nfs/dbraw/zinc/04/59/27/706045927.db2.gz OSAGTEQFZHLKJZ-STQMWFEESA-N 1 0 319.361 1.878 20 5 DDBDRO CNc1ccc(C(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)cc1[N+](=O)[O-] ZINC000877286957 706048932 /nfs/dbraw/zinc/04/89/32/706048932.db2.gz HFQLZXWMVOGVBL-CHWSQXEVSA-N 1 0 304.350 1.603 20 5 DDBDRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)COc1ccc([N+](=O)[O-])cc1)C2 ZINC000877378546 706086666 /nfs/dbraw/zinc/08/66/66/706086666.db2.gz XZMVETMCAKCLDB-XHDPSFHLSA-N 1 0 305.334 1.042 20 5 DDBDRO CNc1ccc(C(=O)N[C@@]23CCC[C@@H]2[NH2+]CC3)cc1[N+](=O)[O-] ZINC000877397900 706095532 /nfs/dbraw/zinc/09/55/32/706095532.db2.gz LLQWQTAMFWKAII-DZGCQCFKSA-N 1 0 304.350 1.651 20 5 DDBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)NC12CC[NH+](CC1)C2 ZINC000828009055 706102993 /nfs/dbraw/zinc/10/29/93/706102993.db2.gz DBBNJEGEUGHWOQ-UHFFFAOYSA-N 1 0 307.375 1.895 20 5 DDBDRO C[C@H](NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)C1=CC[N@H+](C)CC1 ZINC000828905414 706253413 /nfs/dbraw/zinc/25/34/13/706253413.db2.gz WPIPNMOQBOVGAA-XHDPSFHLSA-N 1 0 319.361 1.395 20 5 DDBDRO Cn1nnnc1CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000878327032 706360763 /nfs/dbraw/zinc/36/07/63/706360763.db2.gz XNLCTCLJSHSADL-UHFFFAOYSA-N 1 0 302.338 1.325 20 5 DDBDRO COc1cc(C[NH2+][C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)c([N+](=O)[O-])cc1O ZINC000865691533 706498107 /nfs/dbraw/zinc/49/81/07/706498107.db2.gz BNJKIPJPABTPAJ-AQKDURSXSA-N 1 0 320.345 1.822 20 5 DDBDRO C[NH+](C)C[C@]1(O)CCCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000878866788 706519575 /nfs/dbraw/zinc/51/95/75/706519575.db2.gz XDYCIBUPOHDUAF-JKSUJKDBSA-N 1 0 323.393 1.017 20 5 DDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)s1 ZINC000866828339 706817311 /nfs/dbraw/zinc/81/73/11/706817311.db2.gz WESPMYYDWYDSMO-BDAKNGLRSA-N 1 0 317.392 1.171 20 5 DDBDRO C[NH+](C)C[C@@]1(O)CCCN(c2nc3ccccn3c2[N+](=O)[O-])C1 ZINC000865925764 706565622 /nfs/dbraw/zinc/56/56/22/706565622.db2.gz MUHYHKMDLDAXCC-HNNXBMFYSA-N 1 0 319.365 1.135 20 5 DDBDRO O=[N+]([O-])c1ccc(C[N@H+]2C[C@H](O)CC3(CCOCC3)C2)cc1 ZINC000880585227 707027852 /nfs/dbraw/zinc/02/78/52/707027852.db2.gz FSFPIYXVMGDBGZ-OAHLLOKOSA-N 1 0 306.362 1.958 20 5 DDBDRO [NH3+]CC[C@@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(F)F ZINC000834825234 707131467 /nfs/dbraw/zinc/13/14/67/707131467.db2.gz AUGJUMCDWZSEOQ-SECBINFHSA-N 1 0 318.236 1.215 20 5 DDBDRO CCC1([NH+]2CCCCC2)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000881628699 707308781 /nfs/dbraw/zinc/30/87/81/707308781.db2.gz AUHUWSUPPRRIGI-ZIAGYGMSSA-N 1 0 309.410 1.909 20 5 DDBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H](O)c1ccnn1C ZINC000927125718 712944861 /nfs/dbraw/zinc/94/48/61/712944861.db2.gz FRHUSKGFQBRRMZ-ZUZCIYMTSA-N 1 0 322.340 1.722 20 5 DDBDRO O=[N+]([O-])c1cc(Cl)ccc1N1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC000872758430 707587826 /nfs/dbraw/zinc/58/78/26/707587826.db2.gz ZWFLMKYDLAYAIR-NWDGAFQWSA-N 1 0 311.769 1.894 20 5 DDBDRO C[C@H]1C[C@@H](N2CCOCC2)CN1c1ccnc(F)c1[N+](=O)[O-] ZINC000882351396 707596729 /nfs/dbraw/zinc/59/67/29/707596729.db2.gz RQZXJOFLJBQHOP-WDEREUQCSA-N 1 0 310.329 1.428 20 5 DDBDRO Cc1nn(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)c2ncc([N+](=O)[O-])cc12 ZINC000872785648 707600900 /nfs/dbraw/zinc/60/09/00/707600900.db2.gz GLDAYOJSQQUOCJ-PHIMTYICSA-N 1 0 303.322 1.184 20 5 DDBDRO CC[N@@H+]1CC[C@H]1CNC(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000882491505 707662494 /nfs/dbraw/zinc/66/24/94/707662494.db2.gz GTOPKTBKRYTEHX-LBPRGKRZSA-N 1 0 307.350 1.492 20 5 DDBDRO Cc1c(C[NH2+][C@H]2CC[C@@H](C)S(=O)(=O)C2)cccc1[N+](=O)[O-] ZINC000873136613 707745372 /nfs/dbraw/zinc/74/53/72/707745372.db2.gz FLPLYUXXTAFIHI-MFKMUULPSA-N 1 0 312.391 1.959 20 5 DDBDRO CCOC(=O)c1ccnc(NC[C@@H]2CC[N@@H+]2CC)c1[N+](=O)[O-] ZINC000882960759 707874663 /nfs/dbraw/zinc/87/46/63/707874663.db2.gz UXXZTOMUQMLOHT-JTQLQIEISA-N 1 0 308.338 1.673 20 5 DDBDRO C[N@@H+]1C[C@@H]2CN(c3ncnc4cccc([N+](=O)[O-])c43)C[C@]2(C)C1 ZINC000896913208 708181271 /nfs/dbraw/zinc/18/12/71/708181271.db2.gz OJBYMRAUTWGGCK-BZNIZROVSA-N 1 0 313.361 1.926 20 5 DDBDRO COc1c(O)ccc(C[NH2+][C@@H]2COC[C@H]2C2CC2)c1[N+](=O)[O-] ZINC000898380075 708627612 /nfs/dbraw/zinc/62/76/12/708627612.db2.gz LHBUTHWEBUJVNZ-NWDGAFQWSA-N 1 0 308.334 1.824 20 5 DDBDRO O=[N+]([O-])c1ncccc1CN1CC[NH+](C2CCOCC2)CC1 ZINC000886030781 708685189 /nfs/dbraw/zinc/68/51/89/708685189.db2.gz UNLFMFIFCSVULN-UHFFFAOYSA-N 1 0 306.366 1.286 20 5 DDBDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2Cc1cccnc1[N+](=O)[O-] ZINC000886081778 708694515 /nfs/dbraw/zinc/69/45/15/708694515.db2.gz XNKANCAKXJRHQN-RBSFLKMASA-N 1 0 320.393 1.673 20 5 DDBDRO O=C1C[C@H]([C@H]2CCCC[N@H+]2Cc2cccnc2[N+](=O)[O-])CN1 ZINC000886098678 708697935 /nfs/dbraw/zinc/69/79/35/708697935.db2.gz PKHFKEMSRIYGQE-QWHCGFSZSA-N 1 0 304.350 1.480 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[N@@H+](C)C[C@H]1CC(C)C ZINC000886593586 708785836 /nfs/dbraw/zinc/78/58/36/708785836.db2.gz UVHVRITZDVKLDZ-CYBMUJFWSA-N 1 0 323.397 1.288 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@H](c3ncccn3)C2)c1 ZINC000886680637 708812459 /nfs/dbraw/zinc/81/24/59/708812459.db2.gz IWGGCZJXRAOFOR-LBPRGKRZSA-N 1 0 302.338 1.461 20 5 DDBDRO C[C@@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)c1c([N+](=O)[O-])cnn1C ZINC000912650102 713060593 /nfs/dbraw/zinc/06/05/93/713060593.db2.gz HYKLMPWQUNMTQT-NEPJUHHUSA-N 1 0 323.397 1.663 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000886823106 708854158 /nfs/dbraw/zinc/85/41/58/708854158.db2.gz ZAIWXAMQLVNYLE-OCCSQVGLSA-N 1 0 307.350 1.257 20 5 DDBDRO O=C(NCCNc1ccc([N+](=O)[O-])cc1)C12CC[NH+](CC1)C2 ZINC000899986250 709258876 /nfs/dbraw/zinc/25/88/76/709258876.db2.gz HBJOLAFJFROLGN-UHFFFAOYSA-N 1 0 304.350 1.219 20 5 DDBDRO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912909815 713121311 /nfs/dbraw/zinc/12/13/11/713121311.db2.gz WDODGUOJGXRLKD-VIFPVBQESA-N 1 0 308.313 1.236 20 5 DDBDRO CCOc1ccc(C(=O)N2CC[C@@H]([NH+]3CCC3)C2)cc1[N+](=O)[O-] ZINC000912924041 713125902 /nfs/dbraw/zinc/12/59/02/713125902.db2.gz PDJCBNBHYPILAZ-CYBMUJFWSA-N 1 0 319.361 1.914 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N(C)CC(C)(C)C[NH+](C)C ZINC000890886224 710021249 /nfs/dbraw/zinc/02/12/49/710021249.db2.gz CKPRHLPBFNVGQO-UHFFFAOYSA-N 1 0 311.386 1.146 20 5 DDBDRO Cc1ccc(CNC(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)cc1[N+](=O)[O-] ZINC000892096665 710371382 /nfs/dbraw/zinc/37/13/82/710371382.db2.gz JMZWLNXHHSYGLV-WCQYABFASA-N 1 0 306.366 1.843 20 5 DDBDRO CCN(C(=O)NCc1ccc(C)c([N+](=O)[O-])c1)[C@@H]1CC[NH2+]C1 ZINC000892537230 710454196 /nfs/dbraw/zinc/45/41/96/710454196.db2.gz PTGIGWPOYCRFHQ-CYBMUJFWSA-N 1 0 306.366 1.797 20 5 DDBDRO C[C@@]1(NC(=O)COc2cccc([N+](=O)[O-])c2)C[NH+]2CCC1CC2 ZINC000892789698 710499296 /nfs/dbraw/zinc/49/92/96/710499296.db2.gz RWDCPSKCLBPYJR-MRXNPFEDSA-N 1 0 319.361 1.574 20 5 DDBDRO C[C@@]1(NC(=O)COc2ccccc2[N+](=O)[O-])C[NH+]2CCC1CC2 ZINC000892801435 710502714 /nfs/dbraw/zinc/50/27/14/710502714.db2.gz SLGKEZAVZOXHHT-MRXNPFEDSA-N 1 0 319.361 1.574 20 5 DDBDRO CS[C@H]1CN(c2ccc3nonc3c2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000893002895 710539690 /nfs/dbraw/zinc/53/96/90/710539690.db2.gz WOSXNUWBRNXENM-QWRGUYRKSA-N 1 0 323.378 1.613 20 5 DDBDRO C[C@H]1[C@H](NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC[N@@H+]1C ZINC000928439690 713196521 /nfs/dbraw/zinc/19/65/21/713196521.db2.gz JVQKRKDKVNHQOG-GXSJLCMTSA-N 1 0 302.334 1.899 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H]2CC[N@H+](C)[C@H]2C)c1 ZINC000928459940 713206172 /nfs/dbraw/zinc/20/61/72/713206172.db2.gz YJMPGQZVGIOOKA-QWHCGFSZSA-N 1 0 321.377 1.881 20 5 DDBDRO COc1cc([C@@H](C)[NH2+][C@H](C)C(=O)NCCF)cc([N+](=O)[O-])c1 ZINC000903168139 711053557 /nfs/dbraw/zinc/05/35/57/711053557.db2.gz SMTAJTZLBMGAQJ-NXEZZACHSA-N 1 0 313.329 1.728 20 5 DDBDRO C[C@H](N[C@@H]1CC[NH2+]C12CCC2)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000903464988 711135023 /nfs/dbraw/zinc/13/50/23/711135023.db2.gz COXRLIYMDAQRDP-SMDDNHRTSA-N 1 0 318.377 1.796 20 5 DDBDRO Cn1cc(CN2CCCc3cc(CC[NH3+])ccc32)c([N+](=O)[O-])n1 ZINC000903871058 711310016 /nfs/dbraw/zinc/31/00/16/711310016.db2.gz LUQBXNSITAZYDT-UHFFFAOYSA-N 1 0 315.377 1.782 20 5 DDBDRO Cc1nn(C)c(NC[C@@H]2CC[N@@H+]2C2CCOCC2)c1[N+](=O)[O-] ZINC000896515828 711736477 /nfs/dbraw/zinc/73/64/77/711736477.db2.gz KOCLAVCLDRLEAJ-LBPRGKRZSA-N 1 0 309.370 1.302 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@@H]2C=C[C@H]3C[C@@H]2CO3)c1 ZINC000905572422 712082642 /nfs/dbraw/zinc/08/26/42/712082642.db2.gz QVDYZWHOVHDDTJ-XRGAULLZSA-N 1 0 304.346 1.809 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1C ZINC000914290941 713371572 /nfs/dbraw/zinc/37/15/72/713371572.db2.gz FIQKQXVWVFYDJR-MFKMUULPSA-N 1 0 322.365 1.495 20 5 DDBDRO CC(C)[C@@H](C[NH+](C)C)NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000915625272 713425211 /nfs/dbraw/zinc/42/52/11/713425211.db2.gz RLJYUCLANQCAEM-GFCCVEGCSA-N 1 0 309.366 1.676 20 5 DDBDRO O=C(NCCc1cccs1)C1CC[NH+](CC[N+](=O)[O-])CC1 ZINC000929905490 713716355 /nfs/dbraw/zinc/71/63/55/713716355.db2.gz WWYRRXKSNQTSRB-UHFFFAOYSA-N 1 0 311.407 1.396 20 5 DDBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000930353099 713812069 /nfs/dbraw/zinc/81/20/69/713812069.db2.gz HFWIBODEMPHSNK-KBMXLJTQSA-N 1 0 306.362 1.873 20 5 DDBDRO C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@H]1[NH2+]CC[N+](=O)[O-] ZINC000930477343 713844671 /nfs/dbraw/zinc/84/46/71/713844671.db2.gz PGVIPXRROCIAPY-WOPDTQHZSA-N 1 0 301.387 1.887 20 5 DDBDRO C[N@H+](CCNC(=O)CCc1cc(F)ccc1[N+](=O)[O-])C1CC1 ZINC000930648070 713886789 /nfs/dbraw/zinc/88/67/89/713886789.db2.gz GFKYWHNDGIGWPC-UHFFFAOYSA-N 1 0 309.341 1.877 20 5 DDBDRO COc1ccc(NC(=O)N2CC[C@@H]3C[N@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000930770131 713916055 /nfs/dbraw/zinc/91/60/55/713916055.db2.gz VUFUOCDWENYWIM-ZWNOBZJWSA-N 1 0 320.349 1.771 20 5 DDBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000931043575 713989390 /nfs/dbraw/zinc/98/93/90/713989390.db2.gz QQULNZKQEVDCKO-JSGCOSHPSA-N 1 0 320.393 1.948 20 5 DDBDRO C[NH+]1C[C@]2(C)CN(CCn3cc([N+](=O)[O-])ccc3=O)C[C@@]2(C)C1 ZINC000931311825 714062773 /nfs/dbraw/zinc/06/27/73/714062773.db2.gz PQEPZGCCPZGLNW-HZPDHXFCSA-N 1 0 320.393 1.030 20 5 DDBDRO C[NH+](C)C1(C)CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000931351219 714074811 /nfs/dbraw/zinc/07/48/11/714074811.db2.gz HQRNGJPEGLXEMD-UHFFFAOYSA-N 1 0 320.393 1.610 20 5 DDBDRO COc1cc(C[NH2+][C@H]2CCN(C)[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000922557438 714087599 /nfs/dbraw/zinc/08/75/99/714087599.db2.gz OEOVQLIWOIYUAL-JQWIXIFHSA-N 1 0 309.366 1.794 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CN1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931431656 714095327 /nfs/dbraw/zinc/09/53/27/714095327.db2.gz YTYUUFXSIZCLGM-GXTWGEPZSA-N 1 0 305.378 1.987 20 5 DDBDRO C[NH+](C)CC1(O)CCN(Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000931486216 714109140 /nfs/dbraw/zinc/10/91/40/714109140.db2.gz YEOMXGPXXQNBMM-UHFFFAOYSA-N 1 0 311.357 1.622 20 5 DDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2C[C@@H](O)C23CCOCC3)c(F)c1 ZINC000923018830 714215188 /nfs/dbraw/zinc/21/51/88/714215188.db2.gz IUXDKDOHASZISH-UONOGXRCSA-N 1 0 310.325 1.754 20 5 DDBDRO C[NH2+]C[C@@H]1CCCN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000923294838 714300520 /nfs/dbraw/zinc/30/05/20/714300520.db2.gz ORGVQSHUSUQYLG-KBPBESRZSA-N 1 0 309.366 1.018 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)CN2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000923365519 714329313 /nfs/dbraw/zinc/32/93/13/714329313.db2.gz FPXUHMOQXRDEPK-HZPDHXFCSA-N 1 0 305.378 1.704 20 5 DDBDRO [NH3+]CC12CCC(CC1)CN2C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000923392845 714339790 /nfs/dbraw/zinc/33/97/90/714339790.db2.gz LFSUVZJXASQHTQ-DSSZZKGTSA-N 1 0 305.378 1.832 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)CN[C@H]2CC[NH2+]C23CCC3)c1 ZINC000923397100 714341079 /nfs/dbraw/zinc/34/10/79/714341079.db2.gz ADOXCCQIDKJXNK-HIFRSBDPSA-N 1 0 321.377 1.209 20 5 DDBDRO Cn1cc(CN2C[C@@H](CC[NH3+])Cc3ccccc32)c([N+](=O)[O-])n1 ZINC000923545369 714396198 /nfs/dbraw/zinc/39/61/98/714396198.db2.gz NMGGOPPJURTXEK-LBPRGKRZSA-N 1 0 315.377 1.856 20 5 DDBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)C1C[NH2+]C1 ZINC000923593894 714421763 /nfs/dbraw/zinc/42/17/63/714421763.db2.gz DNOBVSBFMUVMQB-UHFFFAOYSA-N 1 0 313.379 1.107 20 5 DDBDRO O=C1OCCCN1C1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000933618796 714632634 /nfs/dbraw/zinc/63/26/34/714632634.db2.gz KKVRDPZDIVUNJO-UHFFFAOYSA-N 1 0 323.353 1.098 20 5 DDBDRO O=C1CC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCCCCN1 ZINC000934156290 714756711 /nfs/dbraw/zinc/75/67/11/714756711.db2.gz CEFLBPNGFJHNTK-OAHLLOKOSA-N 1 0 321.377 1.620 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000935650816 715109199 /nfs/dbraw/zinc/10/91/99/715109199.db2.gz YUBPOEIDIQSACQ-LBPRGKRZSA-N 1 0 309.370 1.042 20 5 DDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[C@H]2C[N@@H+](CC3CCC3)C[C@H]2CC1 ZINC000946589156 718844627 /nfs/dbraw/zinc/84/46/27/718844627.db2.gz JGMIXRZOUDUYOW-QKPAOTATSA-N 1 0 321.421 1.622 20 5 DDBDRO C[N@@H+]1CCO[C@@H]2CN(c3ccc4ccc([N+](=O)[O-])cc4n3)C[C@@H]21 ZINC001164667048 719385339 /nfs/dbraw/zinc/38/53/39/719385339.db2.gz MNXYLSYULDGMCU-LSDHHAIUSA-N 1 0 314.345 1.662 20 5 DDBDRO C[N@@H+]1CCO[C@H]2CN(c3ccc4cccc([N+](=O)[O-])c4n3)C[C@@H]21 ZINC001164664733 719389896 /nfs/dbraw/zinc/38/98/96/719389896.db2.gz COEQLDSSFIOBFM-KBPBESRZSA-N 1 0 314.345 1.662 20 5 DDBDRO Cc1cc(C)c(-n2c(C)ncc(C[NH3+])c2=N)c(C)c1[N+](=O)[O-] ZINC001167674134 735324347 /nfs/dbraw/zinc/32/43/47/735324347.db2.gz LGZSKDGGMKKNST-UHFFFAOYSA-N 1 0 301.350 1.952 20 5 DDBDRO C[C@H](Nc1c2c(ccc1[N+](=O)[O-])NCC2)[C@@H]1C[N@H+](C)CCN1C ZINC001120960723 782257864 /nfs/dbraw/zinc/25/78/64/782257864.db2.gz WTKRFGWXGPFIAZ-NHYWBVRUSA-N 1 0 319.409 1.609 20 5 DDBDRO CCc1ccccc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001022064118 734368708 /nfs/dbraw/zinc/36/87/08/734368708.db2.gz WZBUBEGWAVKNPO-QKPAOTATSA-N 1 0 317.389 1.651 20 5 DDBDRO O=C(N[C@H]1C[C@@H]([NH2+]CCC2=CCCCC2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001022064170 734369175 /nfs/dbraw/zinc/36/91/75/734369175.db2.gz ZFPSHOSHBVIVQW-LXTVHRRPSA-N 1 0 307.394 1.779 20 5 DDBDRO [NH3+]CCc1ccn(-c2ncnc3cc(F)c([N+](=O)[O-])cc32)n1 ZINC001167728269 737183964 /nfs/dbraw/zinc/18/39/64/737183964.db2.gz NLVUJOOQXBFXHE-UHFFFAOYSA-N 1 0 302.269 1.364 20 5 DDBDRO Cc1ccc(C[NH2+]CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c(Cl)c1 ZINC001126936846 742842900 /nfs/dbraw/zinc/84/29/00/742842900.db2.gz UKLGJLKLCRUQND-DGCLKSJQSA-N 1 0 311.769 1.519 20 5 DDBDRO Cc1c[nH]c(=O)c(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)c1 ZINC001184154824 743978415 /nfs/dbraw/zinc/97/84/15/743978415.db2.gz WIBMEJFGEPRYNT-UHFFFAOYSA-N 1 0 303.322 1.694 20 5 DDBDRO NS(=O)(=O)C[C@@H]1CCCCN1Cc1ccccc1[N+](=O)[O-] ZINC001196973128 747011840 /nfs/dbraw/zinc/01/18/40/747011840.db2.gz OEMQKSISGGRBJD-LBPRGKRZSA-N 1 0 313.379 1.238 20 5 DDBDRO C[C@H]1Cc2n[nH]cc2C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC001197787338 747265017 /nfs/dbraw/zinc/26/50/17/747265017.db2.gz UDZCFTPCBUNPGE-NSHDSACASA-N 1 0 317.349 1.174 20 5 DDBDRO COc1nc(SC)nc(NCCCC[NH+](C)C)c1[N+](=O)[O-] ZINC001161724420 747472351 /nfs/dbraw/zinc/47/23/51/747472351.db2.gz HRHLUYZMAXIJPZ-UHFFFAOYSA-N 1 0 315.399 1.869 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCCC[C@H]1[C@@H]1CCCO1 ZINC001198685211 747577043 /nfs/dbraw/zinc/57/70/43/747577043.db2.gz HZUCEWJFBCCKJK-GJZGRUSLSA-N 1 0 321.377 1.790 20 5 DDBDRO COc1cnc(-n2cnc(C)c2CSCC[NH3+])cc1[N+](=O)[O-] ZINC001168785824 761963203 /nfs/dbraw/zinc/96/32/03/761963203.db2.gz AXIJQNYFHFICGB-UHFFFAOYSA-N 1 0 323.378 1.684 20 5 DDBDRO C[NH+](C)CCC(=O)NC1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC001095445510 749906728 /nfs/dbraw/zinc/90/67/28/749906728.db2.gz XXXSOAGNIBFAPU-UHFFFAOYSA-N 1 0 321.381 1.027 20 5 DDBDRO Cc1ncoc1C[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001005383679 749937924 /nfs/dbraw/zinc/93/79/24/749937924.db2.gz VIFICQSMIXLPMT-CHWSQXEVSA-N 1 0 322.365 1.071 20 5 DDBDRO [NH3+]Cc1ccc2ncn(-c3ncnc4[nH]cc([N+](=O)[O-])c43)c2c1 ZINC001168840339 762065597 /nfs/dbraw/zinc/06/55/97/762065597.db2.gz BLVCLCIDPNLYRF-UHFFFAOYSA-N 1 0 309.289 1.664 20 5 DDBDRO COc1ccc(C2([NH2+][C@@H]3CC[C@H](C[N+](=O)[O-])C3)COC2)cc1 ZINC001168974672 762163717 /nfs/dbraw/zinc/16/37/17/762163717.db2.gz SFTMDLWUYUSCCQ-GXTWGEPZSA-N 1 0 306.362 1.956 20 5 DDBDRO NC1(c2cccnc2)CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168992060 762165803 /nfs/dbraw/zinc/16/58/03/762165803.db2.gz JFHAJNCAOBBSHF-ZFWWWQNUSA-N 1 0 304.394 1.777 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCN(c3cccc(O)c3)CC2)C1 ZINC001169035860 762191825 /nfs/dbraw/zinc/19/18/25/762191825.db2.gz DMWYNGJJMXISHV-HIFRSBDPSA-N 1 0 305.378 1.960 20 5 DDBDRO COC[C@]12CCCO[C@@H]1CC[N@@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169022096 762201044 /nfs/dbraw/zinc/20/10/44/762201044.db2.gz MUZSECJYXQWMOG-QKPAOTATSA-N 1 0 312.410 1.949 20 5 DDBDRO COC[C@H]1Cn2nccc2C[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169026722 762204915 /nfs/dbraw/zinc/20/49/15/762204915.db2.gz NLIUFLOZFOOPOV-MJBXVCDLSA-N 1 0 308.382 1.407 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@@H](Oc3ncccn3)C2)C1 ZINC001169053134 762208028 /nfs/dbraw/zinc/20/80/28/762208028.db2.gz HQHGIWFPRMVVCW-MGPQQGTHSA-N 1 0 306.366 1.765 20 5 DDBDRO Cc1cnc(O[C@@H]2CC[N@@H+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)nc1 ZINC001169057627 762210906 /nfs/dbraw/zinc/21/09/06/762210906.db2.gz WKJXUXIZWWHSSM-HZSPNIEDSA-N 1 0 306.366 1.684 20 5 DDBDRO O=C(Cc1ncc[nH]1)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001169199936 762278870 /nfs/dbraw/zinc/27/88/70/762278870.db2.gz SHEXRLIQINLVCG-UHFFFAOYSA-N 1 0 317.349 1.157 20 5 DDBDRO [NH3+]Cc1ccc2c(n1)N(c1c(F)c([N+](=O)[O-])cc[n+]1[O-])CCC2 ZINC001169583354 762543513 /nfs/dbraw/zinc/54/35/13/762543513.db2.gz DLIBNOIKBRNEDK-UHFFFAOYSA-N 1 0 319.296 1.305 20 5 DDBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)c1ncc[nH]1 ZINC001020133041 760604752 /nfs/dbraw/zinc/60/47/52/760604752.db2.gz CAQIEFCYKRPIRY-HAQNSBGRSA-N 1 0 315.333 1.369 20 5 DDBDRO Cc1ccc(F)c(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c1 ZINC001020139770 760614194 /nfs/dbraw/zinc/61/41/94/760614194.db2.gz MRAZGYARSWHZDS-RGCMKSIDSA-N 1 0 321.352 1.536 20 5 DDBDRO Cc1cnc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)s1 ZINC001086083317 760943312 /nfs/dbraw/zinc/94/33/12/760943312.db2.gz VCLQPLJKFNVJIF-WRWGMCAJSA-N 1 0 324.406 1.101 20 5 DDBDRO C[C@@]1(Nc2cc3c(cc2[N+](=O)[O-])C[NH2+]C3)CCS(=O)(=O)C1 ZINC001170555608 768007622 /nfs/dbraw/zinc/00/76/22/768007622.db2.gz GIBBQVLRHHQFOH-CYBMUJFWSA-N 1 0 311.363 1.187 20 5 DDBDRO CCC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC001050273050 763398727 /nfs/dbraw/zinc/39/87/27/763398727.db2.gz JEIOMHLCNSAPFE-HAQNSBGRSA-N 1 0 323.397 1.503 20 5 DDBDRO CC(=O)Nc1ccc(N[C@H](C)[C@H]2C[NH2+]CCO2)cc1[N+](=O)[O-] ZINC001170576395 768252283 /nfs/dbraw/zinc/25/22/83/768252283.db2.gz ZXYVDYQBMJYEGC-YMTOWFKASA-N 1 0 308.338 1.342 20 5 DDBDRO COCCOCC[NH2+][C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170305512 766231458 /nfs/dbraw/zinc/23/14/58/766231458.db2.gz MDNMJTXYTIXRTN-LBPRGKRZSA-N 1 0 312.366 1.787 20 5 DDBDRO COc1ccc(C[C@H](C)[NH2+]C[C@@H]2CCCC(=O)N2)c([N+](=O)[O-])c1 ZINC001170327722 766254026 /nfs/dbraw/zinc/25/40/26/766254026.db2.gz HGTJJPFYJNKVEK-AAEUAGOBSA-N 1 0 321.377 1.793 20 5 DDBDRO COc1nc(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)co1 ZINC001131920892 768489086 /nfs/dbraw/zinc/48/90/86/768489086.db2.gz NQPNAGVYEWGKCF-UHFFFAOYSA-N 1 0 320.305 1.111 20 5 DDBDRO Cc1n[nH]cc1C(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001132138870 768644640 /nfs/dbraw/zinc/64/46/40/768644640.db2.gz NAKSFXATJWMKSQ-UHFFFAOYSA-N 1 0 309.351 1.207 20 5 DDBDRO O=[N+]([O-])c1ccc(-c2ccccc2)nc1N[C@@H]1C[NH2+]C[C@H]1CO ZINC001170772721 771184151 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O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]C1CN(C3COC3)C1)CC2 ZINC001172908808 776918487 /nfs/dbraw/zinc/91/84/87/776918487.db2.gz ZCLPRVXZUGNMRR-CQSZACIVSA-N 1 0 317.389 1.515 20 5 DDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1COCCC12OCCO2 ZINC001173216283 777047812 /nfs/dbraw/zinc/04/78/12/777047812.db2.gz IFAQVLHGRDXTGB-DOMZBBRYSA-N 1 0 322.361 1.647 20 5 DDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(NC(N)=O)CC1 ZINC001173224355 777058346 /nfs/dbraw/zinc/05/83/46/777058346.db2.gz FCEZEEWFSZFRFS-LLVKDONJSA-N 1 0 306.366 1.659 20 5 DDBDRO CNC(=O)N[C@H]1CCC[N@@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173235889 777063844 /nfs/dbraw/zinc/06/38/44/777063844.db2.gz CBLYZLMFSAWQKM-JSGCOSHPSA-N 1 0 320.393 1.919 20 5 DDBDRO Cc1ccc(NCCN(C)C(=O)CC[NH+](C)C)c([N+](=O)[O-])c1 ZINC001101927219 777690147 /nfs/dbraw/zinc/69/01/47/777690147.db2.gz RLJDZZIVQPUVQD-UHFFFAOYSA-N 1 0 308.382 1.725 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC001118144247 781040892 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ZINC001328033868 862650400 /nfs/dbraw/zinc/65/04/00/862650400.db2.gz YFRXEIBYHAXHHW-QWRGUYRKSA-N 1 0 324.337 1.643 20 5 DDBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N(C)C1CC[NH2+]CC1 ZINC001156176310 862777374 /nfs/dbraw/zinc/77/73/74/862777374.db2.gz XJRXFEBYXSXLDA-UHFFFAOYSA-N 1 0 308.338 1.355 20 5 DDBDRO C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)COc1ccccc1[N+](=O)[O-] ZINC001122230464 858719211 /nfs/dbraw/zinc/71/92/11/858719211.db2.gz BDYMGXAOOVPDNM-VXGBXAGGSA-N 1 0 307.350 1.335 20 5 DDBDRO O=C(CNc1ccccc1[N+](=O)[O-])N[C@]12CCC[C@H]1C[NH2+]C2 ZINC001122349323 858771395 /nfs/dbraw/zinc/77/13/95/858771395.db2.gz OFSOCBUHWBIPMM-NHYWBVRUSA-N 1 0 304.350 1.265 20 5 DDBDRO CNc1ccc(C(=O)NC[C@H]2CCCCC[NH2+]2)cc1[N+](=O)[O-] ZINC001122391051 858792011 /nfs/dbraw/zinc/79/20/11/858792011.db2.gz HCLBXJGSMABBEE-GFCCVEGCSA-N 1 0 306.366 1.899 20 5 DDBDRO COCCC[N@H+](C)CCNC(=O)Nc1cc(C)cc([N+](=O)[O-])c1 ZINC001123361592 859193485 /nfs/dbraw/zinc/19/34/85/859193485.db2.gz YIVVJEIYTBKGPF-UHFFFAOYSA-N 1 0 324.381 1.993 20 5 DDBDRO Cc1ccc(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC001123623134 859328941 /nfs/dbraw/zinc/32/89/41/859328941.db2.gz QHCZFHCFBGQGLL-UHFFFAOYSA-N 1 0 314.345 1.818 20 5 DDBDRO Cc1[nH]nc(C(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)c1C ZINC001125061376 859886250 /nfs/dbraw/zinc/88/62/50/859886250.db2.gz AXBZEMQYJPUWRA-UHFFFAOYSA-N 1 0 323.378 1.516 20 5 DDBDRO Cc1cc(C(=O)NCCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)no1 ZINC001154432658 861097401 /nfs/dbraw/zinc/09/74/01/861097401.db2.gz DXWXNUJZPFWGHA-UHFFFAOYSA-N 1 0 318.333 1.801 20 5 DDBDRO COC(=O)C1(Nc2ccc3[nH]cc([N+](=O)[O-])c3n2)CC[NH2+]CC1 ZINC001156536055 863129747 /nfs/dbraw/zinc/12/97/47/863129747.db2.gz ORZZTEBSPKAGFI-UHFFFAOYSA-N 1 0 319.321 1.178 20 5 DDBDRO COc1ncnc(N2C(C)(C)CC([NH3+])CC2(C)C)c1[N+](=O)[O-] ZINC001156773907 863336422 /nfs/dbraw/zinc/33/64/22/863336422.db2.gz NVBFNBMCGZYTHP-UHFFFAOYSA-N 1 0 309.370 1.878 20 5 DDBDRO CC(C)[N@H+](C)[C@@H]1CCN(c2cc([N+](=O)[O-])cc(Cl)[n+]2[O-])C1 ZINC001157018973 863520987 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[NH3+]CCOCCOCCNc1ccc2cccc([N+](=O)[O-])c2n1 ZINC001159445334 865301662 /nfs/dbraw/zinc/30/16/62/865301662.db2.gz WFSPSIGTVAEDHN-UHFFFAOYSA-N 1 0 320.349 1.547 20 5 DDBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001159657633 865452305 /nfs/dbraw/zinc/45/23/05/865452305.db2.gz NKTGECYUAHAHMC-RNFRBKRXSA-N 1 0 301.734 1.136 20 5 DDBDRO O=[N+]([O-])c1cc2c(Cl)ncnc2cc1N[C@H]1C[NH2+]C[C@H]1CO ZINC001159672319 865460051 /nfs/dbraw/zinc/46/00/51/865460051.db2.gz OKMDSOBNDAGXLL-CPCISQLKSA-N 1 0 323.740 1.184 20 5 DDBDRO O=[N+]([O-])c1c(Cl)c2ccccc2nc1N[C@H]1C[NH2+]C[C@@H]1CO ZINC001159674700 865463126 /nfs/dbraw/zinc/46/31/26/865463126.db2.gz ALVKCVPKGHMUQV-KCJUWKMLSA-N 1 0 322.752 1.789 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])cnc1NCC[C@H]1CCC[N@@H+]1C ZINC001160966577 866230944 /nfs/dbraw/zinc/23/09/44/866230944.db2.gz PQBSIYPZNSGYDA-SNVBAGLBSA-N 1 0 308.338 1.673 20 5 DDBDRO COc1ccc(C(C)=O)cc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001225651082 881957413 /nfs/dbraw/zinc/95/74/13/881957413.db2.gz ZCCIBQLJEMFDMK-CYBMUJFWSA-N 1 0 310.370 1.260 20 5 DDBDRO O=C(NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1)c1ccc[nH]1 ZINC001323385009 866578471 /nfs/dbraw/zinc/57/84/71/866578471.db2.gz NQNRMFXQSANTFP-UHFFFAOYSA-N 1 0 314.345 1.975 20 5 DDBDRO COc1cnc(NCCCN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC001161703977 866912851 /nfs/dbraw/zinc/91/28/51/866912851.db2.gz VGSRJXDPAAREMH-UHFFFAOYSA-N 1 0 309.370 1.048 20 5 DDBDRO COC(=O)c1ccc(C[NH3+])n1-c1cc(Cl)cc([N+](=O)[O-])n1 ZINC001161934471 867112603 /nfs/dbraw/zinc/11/26/03/867112603.db2.gz SPJOPGKCYADGSD-UHFFFAOYSA-N 1 0 310.697 1.679 20 5 DDBDRO COCCC1([NH3+])CCN(c2cc(Cl)cc([N+](=O)[O-])n2)CC1 ZINC001162041488 867210925 /nfs/dbraw/zinc/21/09/25/867210925.db2.gz JWWRHOFEAAGTGY-UHFFFAOYSA-N 1 0 314.773 1.977 20 5 DDBDRO COc1cc(C(=O)N2CCN(C)[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC001325167086 867834142 /nfs/dbraw/zinc/83/41/42/867834142.db2.gz WBZOQVGGGQYCPN-SECBINFHSA-N 1 0 311.313 1.519 20 5 DDBDRO CC[NH+](CC)C1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC1 ZINC001322300275 868104702 /nfs/dbraw/zinc/10/47/02/868104702.db2.gz HWAGHPXJFMCZFB-UHFFFAOYSA-N 1 0 322.365 1.642 20 5 DDBDRO O=[N+]([O-])c1c2[nH]cnc2ccc1NCc1noc2c1C[NH2+]CC2 ZINC001163134433 868143476 /nfs/dbraw/zinc/14/34/76/868143476.db2.gz UANVJPCOJWBWRB-UHFFFAOYSA-N 1 0 314.305 1.717 20 5 DDBDRO CC(C)OC(=O)c1ccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)cc1 ZINC001226073696 882191573 /nfs/dbraw/zinc/19/15/73/882191573.db2.gz TUGWLJKSQLIHGD-CQSZACIVSA-N 1 0 324.397 1.614 20 5 DDBDRO O=[N+]([O-])c1ccc2nccc(N3C[C@H](CO)[C@@H](CCO)C3)c2c1 ZINC001336870501 869192225 /nfs/dbraw/zinc/19/22/25/869192225.db2.gz VJABJNMPJXLLOD-NWDGAFQWSA-N 1 0 317.345 1.570 20 5 DDBDRO CC[NH+]1CCC(N(C)c2nc(OC)nc(C)c2[N+](=O)[O-])CC1 ZINC001165068634 869361127 /nfs/dbraw/zinc/36/11/27/869361127.db2.gz TURWCXXWIHWDSW-UHFFFAOYSA-N 1 0 309.370 1.622 20 5 DDBDRO COc1ccc(CC(=O)N[C@H]2C[NH+]3CCC2CC3)cc1[N+](=O)[O-] ZINC001337410967 869476140 /nfs/dbraw/zinc/47/61/40/869476140.db2.gz UQOYNNVLTXRGSW-ZDUSSCGKSA-N 1 0 319.361 1.356 20 5 DDBDRO [NH3+][C@@]12C[C@@H]1CCN(c1nc(Cl)nc(Cl)c1[N+](=O)[O-])C2 ZINC001165327819 869519638 /nfs/dbraw/zinc/51/96/38/869519638.db2.gz ORIJZIZUMALOGA-XUOSJQGZSA-N 1 0 304.137 1.619 20 5 DDBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N2CCC[C@H]3[NH2+]C[C@H]32)n1 ZINC001165386941 869560454 /nfs/dbraw/zinc/56/04/54/869560454.db2.gz GGTWWVPACWVZAV-RNFRBKRXSA-N 1 0 315.786 1.701 20 5 DDBDRO CSc1nc(Cl)nc(N2CCC[C@@H]3[NH2+]C[C@@H]32)c1[N+](=O)[O-] ZINC001165394118 869565208 /nfs/dbraw/zinc/56/52/08/869565208.db2.gz PGUIBDSJAAIYFE-BQBZGAKWSA-N 1 0 315.786 1.701 20 5 DDBDRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1c1nccc(C)c1[N+](=O)[O-] ZINC001165406157 869572596 /nfs/dbraw/zinc/57/25/96/869572596.db2.gz ZMOMEBBJIQYKIJ-SDDRHHMPSA-N 1 0 320.349 1.028 20 5 DDBDRO Cc1cncc([N+](=O)[O-])c1NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001338680971 870112891 /nfs/dbraw/zinc/11/28/91/870112891.db2.gz HGZGIULHWLNIRU-BETUJISGSA-N 1 0 308.382 1.631 20 5 DDBDRO C[N@@H+]1CCCC[C@H]1CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC001339264381 870427873 /nfs/dbraw/zinc/42/78/73/870427873.db2.gz KWMAYMIZBVQCHB-NSHDSACASA-N 1 0 321.333 1.538 20 5 DDBDRO CCC[N@H+](C)C[C@H]1CCN(c2nnc([C@H](C)[N+](=O)[O-])n2CC)C1 ZINC001339468485 870512233 /nfs/dbraw/zinc/51/22/33/870512233.db2.gz VPCCTRLFFYPMPB-QWHCGFSZSA-N 1 0 324.429 1.804 20 5 DDBDRO C[C@@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC001339681574 870630540 /nfs/dbraw/zinc/63/05/40/870630540.db2.gz XOJNEOSFSJCHDR-GHMZBOCLSA-N 1 0 309.370 1.653 20 5 DDBDRO C[NH+]1CCN(c2cncc(Nc3ccc([N+](=O)[O-])nc3)c2)CC1 ZINC001203569399 870646553 /nfs/dbraw/zinc/64/65/53/870646553.db2.gz CFGDDRFAGLNXLU-UHFFFAOYSA-N 1 0 314.349 1.880 20 5 DDBDRO COC(=O)c1cc(O[C@@H](C)C[NH+](C)C)c(OC)cc1[N+](=O)[O-] ZINC001226440187 882431133 /nfs/dbraw/zinc/43/11/33/882431133.db2.gz SMSKTIDAIPPXOD-VIFPVBQESA-N 1 0 312.322 1.719 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cncc(C(F)(F)F)c1 ZINC001226480323 882456759 /nfs/dbraw/zinc/45/67/59/882456759.db2.gz IGPXBLKVWLOTLP-SNVBAGLBSA-N 1 0 307.292 1.463 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)[C@H](CC[NH3+])C2)c1 ZINC001341033603 871476075 /nfs/dbraw/zinc/47/60/75/871476075.db2.gz VVUDAQXABLKMJG-GHMZBOCLSA-N 1 0 307.350 1.660 20 5 DDBDRO COC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC001308240195 871482140 /nfs/dbraw/zinc/48/21/40/871482140.db2.gz DLJFRFJKBSXSJK-GFCCVEGCSA-N 1 0 323.349 1.924 20 5 DDBDRO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)COc1ccc([N+](=O)[O-])cc1)C2 ZINC001341483143 871678411 /nfs/dbraw/zinc/67/84/11/871678411.db2.gz GWOMSBVJLRPZFT-GVXVVHGQSA-N 1 0 305.334 1.312 20 5 DDBDRO Cc1cc(C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)cc([N+](=O)[O-])c1 ZINC001342555854 872264476 /nfs/dbraw/zinc/26/44/76/872264476.db2.gz VFBILDNQJXRJAV-GHMZBOCLSA-N 1 0 317.267 1.865 20 5 DDBDRO CCN(C(=O)CCn1nc(C)c([N+](=O)[O-])c1C)C1CC[NH2+]CC1 ZINC001342852826 872414885 /nfs/dbraw/zinc/41/48/85/872414885.db2.gz MKLVDHSFCRBKJM-UHFFFAOYSA-N 1 0 323.397 1.399 20 5 DDBDRO CCN(C(=O)c1ccc(NC)c([N+](=O)[O-])c1)[C@H]1CCC[NH2+]C1 ZINC001342934527 872444796 /nfs/dbraw/zinc/44/47/96/872444796.db2.gz NWJREPQWMJFCTP-LBPRGKRZSA-N 1 0 306.366 1.851 20 5 DDBDRO CCc1ccc(C(=O)N2CC[NH2+]C[C@@H]2CCOC)cc1[N+](=O)[O-] ZINC001343106875 872503580 /nfs/dbraw/zinc/50/35/80/872503580.db2.gz YWSNVUKQAIFLNM-AWEZNQCLSA-N 1 0 321.377 1.608 20 5 DDBDRO CC(=O)Nc1cc(C)ccc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001227179481 882897855 /nfs/dbraw/zinc/89/78/55/882897855.db2.gz RYQRYSQTNIVQCJ-CYBMUJFWSA-O 1 0 309.386 1.316 20 5 DDBDRO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3F)[C@H]2C1 ZINC001350914985 875955124 /nfs/dbraw/zinc/95/51/24/875955124.db2.gz GAVKBMRVNSFFIJ-DUFXMDAXSA-N 1 0 307.325 1.804 20 5 DDBDRO [NH3+]Cc1ccc(-c2nc(-c3ncc(F)cc3[N+](=O)[O-])no2)cn1 ZINC001214115466 876178686 /nfs/dbraw/zinc/17/86/86/876178686.db2.gz NNKCTKLDGALMFZ-UHFFFAOYSA-N 1 0 316.252 1.700 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCCOC[C@H]2CCOC2)c1 ZINC001353317187 877250842 /nfs/dbraw/zinc/25/08/42/877250842.db2.gz TXMDRUKTWNMBBT-CZUORRHYSA-N 1 0 324.377 1.661 20 5 DDBDRO c1ccc2nc3cc(O[C@@H]4CN5C[C@H]4[NH2+]CC5)ccc3nc2c1 ZINC001218110259 877398931 /nfs/dbraw/zinc/39/89/31/877398931.db2.gz WZXPUEFPTHODFV-QZTJIDSGSA-N 1 0 306.369 1.818 20 5 DDBDRO C[C@@H]([NH2+]CC[N+](=O)[O-])[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001354594711 878095418 /nfs/dbraw/zinc/09/54/18/878095418.db2.gz MHOKZSSASIUORS-NEPJUHHUSA-N 1 0 301.387 1.888 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1nc(Br)cs1 ZINC001227676879 883126819 /nfs/dbraw/zinc/12/68/19/883126819.db2.gz YJDKRPZZSRXRTK-SSDOTTSWSA-N 1 0 324.220 1.268 20 5 DDBDRO O=[N+]([O-])c1cncnc1O[C@H]1CC[C@@H]([NH+]2CCOCC2)CC1 ZINC001228660924 883602068 /nfs/dbraw/zinc/60/20/68/883602068.db2.gz TVDATTVUZULKAJ-TXEJJXNPSA-N 1 0 308.338 1.407 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc([N+](=O)[O-])nc1Cl ZINC001229915162 884230997 /nfs/dbraw/zinc/23/09/97/884230997.db2.gz LAFOZBIGPHBTFZ-MRVPVSSYSA-N 1 0 318.737 1.006 20 5 DDBDRO OC[C@@H]1CC[N@H+](Cc2ccc3ccc4cccnc4c3n2)C[C@@H]1O ZINC001232219311 886166015 /nfs/dbraw/zinc/16/60/15/886166015.db2.gz SOTSTVUVIYSOPA-RDJZCZTQSA-N 1 0 323.396 1.958 20 5 DDBDRO OC[C@H]1CC[N@H+](Cc2ccc3ccc4cccnc4c3n2)C[C@H]1O ZINC001232219310 886166157 /nfs/dbraw/zinc/16/61/57/886166157.db2.gz SOTSTVUVIYSOPA-NVXWUHKLSA-N 1 0 323.396 1.958 20 5 DDBDRO CO[C@H]1C[NH2+]C[C@@H]1N(C)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001246986123 893058047 /nfs/dbraw/zinc/05/80/47/893058047.db2.gz CEKAICDRJYLUOE-PVAVHDDUSA-N 1 0 319.405 1.761 20 5 DDBDRO C[C@@H]1C[NH2+]C[C@@H](c2nc(-c3ncc(F)cc3[N+](=O)[O-])no2)C1 ZINC001247793599 893375012 /nfs/dbraw/zinc/37/50/12/893375012.db2.gz GSVOHSDQYHKXOA-YUMQZZPRSA-N 1 0 307.285 1.892 20 5 DDBDRO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC001251758700 894802699 /nfs/dbraw/zinc/80/26/99/894802699.db2.gz XNPSDESIEVNQSL-HUUCEWRRSA-N 1 0 321.377 1.963 20 5 DDBDRO COCC[NH+]1CCN([C@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001254552506 896498694 /nfs/dbraw/zinc/49/86/94/896498694.db2.gz MROFGEURVPJOSU-CQSZACIVSA-N 1 0 307.394 1.790 20 5 DDBDRO CC(=O)N1CCC[C@@H]([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254572562 896507796 /nfs/dbraw/zinc/50/77/96/896507796.db2.gz PZWGTRJMAAKARD-HUUCEWRRSA-N 1 0 303.362 1.663 20 5 DDBDRO NC[C@]1([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CN2CCC1CC2 ZINC001254580893 896513882 /nfs/dbraw/zinc/51/38/82/896513882.db2.gz HTTVOUBZSLYYPJ-WBVHZDCISA-N 1 0 316.405 1.075 20 5 DDBDRO CCOC(=O)C1(C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254584262 896516104 /nfs/dbraw/zinc/51/61/04/896516104.db2.gz RFDBDLXXKPUZBP-CYBMUJFWSA-N 1 0 304.346 1.995 20 5 DDBDRO CC(=O)N1CC[C@H](C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254587352 896518107 /nfs/dbraw/zinc/51/81/07/896518107.db2.gz PNKHEDXTNCTGNS-IUODEOHRSA-N 1 0 303.362 1.520 20 5 DDBDRO COC(=O)[C@H]1C[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C[C@@H]1C ZINC001254605779 896526786 /nfs/dbraw/zinc/52/67/86/896526786.db2.gz DLEDTOAFXWNDPE-VQISRLSMSA-N 1 0 304.346 1.803 20 5 DDBDRO CCc1nnc(-c2cc([N+](=O)[O-])cc(N3CC[NH+](C)CC3)c2)o1 ZINC001255144802 896755142 /nfs/dbraw/zinc/75/51/42/896755142.db2.gz LUPMDRDWWCPECJ-UHFFFAOYSA-N 1 0 317.349 1.959 20 5 DDBDRO COc1cc(N2CCC([NH2+]C[C@@H](C)CO)CC2)ccc1[N+](=O)[O-] ZINC001256086877 897276933 /nfs/dbraw/zinc/27/69/33/897276933.db2.gz GVNZDXWHGBOAAD-GFCCVEGCSA-N 1 0 323.393 1.790 20 5 DDBDRO Cc1cncc([N+](=O)[O-])c1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001256987318 897659451 /nfs/dbraw/zinc/65/94/51/897659451.db2.gz KAGOSQWQHJNUTA-ZDUSSCGKSA-N 1 0 306.366 1.457 20 5 DDBDRO CCOC(=O)c1cc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC001261493616 899606048 /nfs/dbraw/zinc/60/60/48/899606048.db2.gz JWPWPIFFDSJBOG-UHFFFAOYSA-N 1 0 318.333 1.827 20 5 DDBDRO C[C@@](O)(C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC001262572131 900254134 /nfs/dbraw/zinc/25/41/34/900254134.db2.gz LTQRAQAPMNVSKU-WDEREUQCSA-N 1 0 308.256 1.531 20 5 DDBDRO Cc1ccc(CNC(=O)N[C@]23CCC[C@H]2C[NH2+]C3)cc1[N+](=O)[O-] ZINC001262588406 900263872 /nfs/dbraw/zinc/26/38/72/900263872.db2.gz FYBMWPGRHIUPTC-BBRMVZONSA-N 1 0 318.377 1.845 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C[NH3+])[C@H](C)C1 ZINC001263213847 900536340 /nfs/dbraw/zinc/53/63/40/900536340.db2.gz DRSUWNBOXGTWMT-GHMZBOCLSA-N 1 0 307.350 1.660 20 5 DDBDRO CNc1ccc(C(=O)N2CC[C@@]3(C2)CCCC[NH2+]3)cc1[N+](=O)[O-] ZINC001263225435 900540823 /nfs/dbraw/zinc/54/08/23/900540823.db2.gz NNKUWMLQIMWGLV-MRXNPFEDSA-N 1 0 318.377 1.995 20 5 DDBDRO CC(C)(C)C(=O)N(CCO)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001279886502 903442519 /nfs/dbraw/zinc/44/25/19/903442519.db2.gz NIWASYMPSGGWFZ-UHFFFAOYSA-N 1 0 323.393 1.551 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)n1 ZINC001294222911 914991772 /nfs/dbraw/zinc/99/17/72/914991772.db2.gz DNIUGACFBDNANT-NEPJUHHUSA-N 1 0 304.350 1.607 20 5 DDBDRO C[C@@H](CNc1c2c(ccc1[N+](=O)[O-])NCC2)N1CC[NH+](C)CC1 ZINC000278381480 214129069 /nfs/dbraw/zinc/12/90/69/214129069.db2.gz LPIOUBKHBCGFQR-LBPRGKRZSA-N 1 0 319.409 1.611 20 5 DDBDRO Cc1nn(C)c(C(=O)NCC2CC[NH+](C3CC3)CC2)c1[N+](=O)[O-] ZINC000278593868 214261585 /nfs/dbraw/zinc/26/15/85/214261585.db2.gz URYKNAWGHUNZJK-UHFFFAOYSA-N 1 0 321.381 1.241 20 5 DDBDRO COC[C@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)[C@H]1CCCO1 ZINC000278683190 214324065 /nfs/dbraw/zinc/32/40/65/214324065.db2.gz PGKWJLKQKLIDAP-GXTWGEPZSA-N 1 0 310.350 1.887 20 5 DDBDRO CS[C@H]1CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000451308207 231063623 /nfs/dbraw/zinc/06/36/23/231063623.db2.gz AFGFPSSGHFQTRT-JSGCOSHPSA-N 1 0 312.391 1.772 20 5 DDBDRO O=[N+]([O-])c1cc(Br)ccc1OC[C@@H]1C[NH2+]CCO1 ZINC000088086558 185239445 /nfs/dbraw/zinc/23/94/45/185239445.db2.gz DZHBGXFCZDPQDB-VIFPVBQESA-N 1 0 317.139 1.725 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(N2CC[N@H+](CCO)C(C)(C)C2)c1 ZINC000614829328 362042217 /nfs/dbraw/zinc/04/22/17/362042217.db2.gz SDFOHWATOPPOQN-UHFFFAOYSA-N 1 0 309.366 1.496 20 5 DDBDRO CC[N@@H+](CCc1nccs1)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090589606 185305463 /nfs/dbraw/zinc/30/54/63/185305463.db2.gz OJJNAXWHDHDDDT-UHFFFAOYSA-N 1 0 322.390 1.778 20 5 DDBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc([S@@](C)=O)cc1 ZINC000090539599 185301614 /nfs/dbraw/zinc/30/16/14/185301614.db2.gz AJEANENIKJWAOG-SAHAZLINSA-N 1 0 322.390 1.880 20 5 DDBDRO C[N@@H+]1CC[C@@](O)(CNc2ncc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000413232431 529801033 /nfs/dbraw/zinc/80/10/33/529801033.db2.gz NGHKJMSHALDTCA-LLVKDONJSA-N 1 0 320.271 1.487 20 5 DDBDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000272247692 282317779 /nfs/dbraw/zinc/31/77/79/282317779.db2.gz LKKBCTJKLYNXNV-GXSJLCMTSA-N 1 0 311.769 1.986 20 5 DDBDRO C[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)CC(C)(C)CO ZINC000294733200 529980227 /nfs/dbraw/zinc/98/02/27/529980227.db2.gz GLLIPNLRFSHFDX-UHFFFAOYSA-N 1 0 310.350 1.912 20 5 DDBDRO C[NH2+]C[C@H]1CCCN1C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000417198546 530002733 /nfs/dbraw/zinc/00/27/33/530002733.db2.gz RHNUVDHHCVOHQW-GFCCVEGCSA-N 1 0 322.365 1.497 20 5 DDBDRO O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000319007959 282407796 /nfs/dbraw/zinc/40/77/96/282407796.db2.gz MLTHREAIAVQDOP-DWTRPJMMSA-N 1 0 301.346 1.820 20 5 DDBDRO Cc1ccc([C@H](C)[NH2+]CCN2C(=O)CNC2=O)cc1[N+](=O)[O-] ZINC000181808992 199355573 /nfs/dbraw/zinc/35/55/73/199355573.db2.gz HJXLQJQKXMVGBZ-JTQLQIEISA-N 1 0 306.322 1.106 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)c1 ZINC000277678362 213686967 /nfs/dbraw/zinc/68/69/67/213686967.db2.gz GDMNTLCUGLZLNR-ONGXEEELSA-N 1 0 322.287 1.427 20 5 DDBDRO C[N@H+](CCCCCO)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000279795927 215153686 /nfs/dbraw/zinc/15/36/86/215153686.db2.gz WCKFUWJLFUJYQA-ZDUSSCGKSA-N 1 0 312.366 1.429 20 5 DDBDRO O=C(NC[C@@H]1CC[NH2+]C1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000342717148 282615774 /nfs/dbraw/zinc/61/57/74/282615774.db2.gz GGYYEVDLIZTYJN-LLVKDONJSA-N 1 0 315.333 1.120 20 5 DDBDRO COCC[N@@H+]1CCCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000048428674 352539702 /nfs/dbraw/zinc/53/97/02/352539702.db2.gz XOWBFQZGQCEQEB-UHFFFAOYSA-N 1 0 321.377 1.318 20 5 DDBDRO O=[N+]([O-])c1ccn(C2CC[NH+](CCn3cc(Cl)cn3)CC2)n1 ZINC000459429637 233184415 /nfs/dbraw/zinc/18/44/15/233184415.db2.gz PUWNVDIGBJDATQ-UHFFFAOYSA-N 1 0 324.772 1.978 20 5 DDBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)NCC[N@H+]1CC=CCC1 ZINC000279965585 215277048 /nfs/dbraw/zinc/27/70/48/215277048.db2.gz PLWMJVUDNKTKIL-UHFFFAOYSA-N 1 0 318.377 1.698 20 5 DDBDRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000601227819 358455827 /nfs/dbraw/zinc/45/58/27/358455827.db2.gz WPPMBDMHPGURDE-GXFFZTMASA-N 1 0 320.349 1.084 20 5 DDBDRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000262860203 186314923 /nfs/dbraw/zinc/31/49/23/186314923.db2.gz UASAKRAJDZKKHN-NOZJJQNGSA-N 1 0 311.769 1.905 20 5 DDBDRO C[C@H](C[NH+](C)C)NC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000358506854 299178195 /nfs/dbraw/zinc/17/81/95/299178195.db2.gz UJHXUJLGSADDKT-LLVKDONJSA-N 1 0 322.365 1.318 20 5 DDBDRO [NH3+]C[C@@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CCO1 ZINC000358510913 299179453 /nfs/dbraw/zinc/17/94/53/299179453.db2.gz BWQULWUBJOUXKQ-LLVKDONJSA-N 1 0 305.290 1.141 20 5 DDBDRO C[C@@H]1C[NH+](CCCNC(=O)c2ccc([N+](=O)[O-])o2)C[C@@H](C)O1 ZINC000047669906 352507531 /nfs/dbraw/zinc/50/75/31/352507531.db2.gz CICVTNUZSVFCBY-GHMZBOCLSA-N 1 0 311.338 1.417 20 5 DDBDRO C[NH+](C)Cc1ccccc1NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000052666198 352621750 /nfs/dbraw/zinc/62/17/50/352621750.db2.gz SGRTYOQPXMDEJQ-UHFFFAOYSA-N 1 0 303.322 1.492 20 5 DDBDRO COCC[N@@H+]1CC[C@H](NC(=O)/C=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000491564790 234204233 /nfs/dbraw/zinc/20/42/33/234204233.db2.gz ZAIKOVMKVHMVPY-GXMNPTEKSA-N 1 0 319.361 1.445 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000061648926 352891834 /nfs/dbraw/zinc/89/18/34/352891834.db2.gz HVEBEGFFEYNWLO-UONOGXRCSA-N 1 0 319.361 1.496 20 5 DDBDRO C[NH+]1CCC(NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000066042608 352974634 /nfs/dbraw/zinc/97/46/34/352974634.db2.gz QYYSNSXREURYTA-UHFFFAOYSA-N 1 0 316.361 1.760 20 5 DDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCCC[NH+]2CCCC2)s1 ZINC000066327466 352989366 /nfs/dbraw/zinc/98/93/66/352989366.db2.gz VQACDHCAVNUGEI-UHFFFAOYSA-N 1 0 319.408 1.421 20 5 DDBDRO CCC[NH+]1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000073396767 353250532 /nfs/dbraw/zinc/25/05/32/353250532.db2.gz VOQNVMBULSAMFA-UHFFFAOYSA-N 1 0 320.393 1.951 20 5 DDBDRO CCCc1n[nH]c(C(=O)N2CCC[C@H]([NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000277096741 213291501 /nfs/dbraw/zinc/29/15/01/213291501.db2.gz CBCKHUJKYUDRQN-NSHDSACASA-N 1 0 323.397 1.827 20 5 DDBDRO Nc1c(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)cc(F)cc1[N+](=O)[O-] ZINC000108297133 353948551 /nfs/dbraw/zinc/94/85/51/353948551.db2.gz AKIFPYRRZNTZAA-NSHDSACASA-N 1 0 322.340 1.530 20 5 DDBDRO [NH3+][C@H]1CCC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000125009282 354043034 /nfs/dbraw/zinc/04/30/34/354043034.db2.gz PRCCCBBQGAKXNO-JGVFFNPUSA-N 1 0 305.381 1.205 20 5 DDBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)CCC[NH3+] ZINC000158889926 354231847 /nfs/dbraw/zinc/23/18/47/354231847.db2.gz PPNCDKGBQLWOBW-VIFPVBQESA-N 1 0 315.757 1.823 20 5 DDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[NH2+]C12CCCC2 ZINC000401473860 354664249 /nfs/dbraw/zinc/66/42/49/354664249.db2.gz IWJJPCSSNQIVAU-AWEZNQCLSA-N 1 0 303.362 1.928 20 5 DDBDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000584833914 354778226 /nfs/dbraw/zinc/77/82/26/354778226.db2.gz VCTBAJDKIKXBNS-GHMZBOCLSA-N 1 0 314.345 1.952 20 5 DDBDRO CNC(=O)[C@H](C)C[N@H+](C)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589501668 354996974 /nfs/dbraw/zinc/99/69/74/354996974.db2.gz VPWQHTGZJGGUED-SNVBAGLBSA-N 1 0 323.349 1.195 20 5 DDBDRO COC(=O)c1cc(C)nc(N2CC[C@@H]([NH+](C)C)[C@H]2C)c1[N+](=O)[O-] ZINC000590568144 355115833 /nfs/dbraw/zinc/11/58/33/355115833.db2.gz AZBXAKVCZPKTHY-ZYHUDNBSSA-N 1 0 322.365 1.614 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)c1 ZINC000590442952 355097864 /nfs/dbraw/zinc/09/78/64/355097864.db2.gz IGLRAPYLOKYOIF-YGRLFVJLSA-N 1 0 305.334 1.380 20 5 DDBDRO C[C@@H]1CN(C(=O)CCOc2ccccc2[N+](=O)[O-])C[C@@H](C)[NH+]1C ZINC000358713796 299228292 /nfs/dbraw/zinc/22/82/92/299228292.db2.gz SMRZAQOEGHFFAJ-CHWSQXEVSA-N 1 0 321.377 1.915 20 5 DDBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000591348008 355294474 /nfs/dbraw/zinc/29/44/74/355294474.db2.gz RPKDYFYKHKWDLU-MGPQQGTHSA-N 1 0 318.377 1.782 20 5 DDBDRO O=C(CCN1CC[C@H]2CC[NH2+][C@@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000591448162 355313541 /nfs/dbraw/zinc/31/35/41/355313541.db2.gz FFIKJEOEZQZMKX-TZMCWYRMSA-N 1 0 318.377 1.607 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CC2(C(F)F)CC2)c1 ZINC000591764944 355380336 /nfs/dbraw/zinc/38/03/36/355380336.db2.gz IAYYYGFPBILLLF-NSHDSACASA-N 1 0 316.304 1.969 20 5 DDBDRO C[N@@H+]1C[C@@H]2CCCN(c3cc(N)c([N+](=O)[O-])c(CO)c3)[C@@H]2C1 ZINC000591830107 355392833 /nfs/dbraw/zinc/39/28/33/355392833.db2.gz FCVKTAZOSPBJJG-IINYFYTJSA-N 1 0 306.366 1.200 20 5 DDBDRO CC1(C)C[NH2+][C@@H]1C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000592028326 355470149 /nfs/dbraw/zinc/47/01/49/355470149.db2.gz YPOFDIBVEXILKO-CQSZACIVSA-N 1 0 318.377 1.241 20 5 DDBDRO CC[C@H]1CN(C(=O)CCn2nc(C)c([N+](=O)[O-])c2C)CC[C@@H]1[NH3+] ZINC000592332909 355561272 /nfs/dbraw/zinc/56/12/72/355561272.db2.gz ROLDDGQGTHANAY-STQMWFEESA-N 1 0 323.397 1.384 20 5 DDBDRO CC(C)[C@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC[NH2+]1 ZINC000592247744 355546684 /nfs/dbraw/zinc/54/66/84/355546684.db2.gz SXOKGDHNVXEBFJ-LLVKDONJSA-N 1 0 310.329 1.386 20 5 DDBDRO Cn1c(C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC000592253684 355547507 /nfs/dbraw/zinc/54/75/07/355547507.db2.gz KWOJTHZTBFZVFI-OLZOCXBDSA-N 1 0 320.393 1.785 20 5 DDBDRO COc1cc(CN2CC[C@H]3CC[NH2+][C@@H]3C2)c([N+](=O)[O-])cc1OC ZINC000592432554 355581792 /nfs/dbraw/zinc/58/17/92/355581792.db2.gz QUQSBAWGMJDQHC-DGCLKSJQSA-N 1 0 321.377 1.796 20 5 DDBDRO CCOc1ccc(C(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000592477150 355593469 /nfs/dbraw/zinc/59/34/69/355593469.db2.gz OUSVATOGLOJNFP-YGRLFVJLSA-N 1 0 323.349 1.182 20 5 DDBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC(C)([NH3+])CC1 ZINC000592485174 355596206 /nfs/dbraw/zinc/59/62/06/355596206.db2.gz QCDXVVFMFWYSBO-LLVKDONJSA-N 1 0 306.366 1.735 20 5 DDBDRO CC[C@@H]1CN([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000592489415 355598009 /nfs/dbraw/zinc/59/80/09/355598009.db2.gz VDPGKZJUSSPGBV-UPJWGTAASA-N 1 0 320.393 1.981 20 5 DDBDRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1Cc1ccc([N+](=O)[O-])cc1F ZINC000592523781 355612000 /nfs/dbraw/zinc/61/20/00/355612000.db2.gz PYXCBPQXLBYZNA-NSHDSACASA-N 1 0 324.356 1.286 20 5 DDBDRO C[NH2+][C@H]1CCCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000592425111 355579209 /nfs/dbraw/zinc/57/92/09/355579209.db2.gz UQWWEDZZZCKCOO-LBPRGKRZSA-N 1 0 307.350 1.550 20 5 DDBDRO C[C@H]([NH3+])CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000592547275 355623422 /nfs/dbraw/zinc/62/34/22/355623422.db2.gz XHFDMLLRGBWVLU-NSHDSACASA-N 1 0 306.366 1.275 20 5 DDBDRO O=C(COc1ccccc1[N+](=O)[O-])N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000592568923 355632674 /nfs/dbraw/zinc/63/26/74/355632674.db2.gz QPWGZGKNNNEMML-LBPRGKRZSA-N 1 0 319.361 1.765 20 5 DDBDRO CCCN(C(=O)c1cc([N+](=O)[O-])cnc1C)[C@H]1CC[N@H+](C)C1 ZINC000592830345 355706029 /nfs/dbraw/zinc/70/60/29/355706029.db2.gz DJJVALJBIXTAHP-LBPRGKRZSA-N 1 0 306.366 1.855 20 5 DDBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593519676 355912267 /nfs/dbraw/zinc/91/22/67/355912267.db2.gz AOBQPXFRMSGWTM-YGRLFVJLSA-N 1 0 321.352 1.875 20 5 DDBDRO C[N@@H+]1CCC[C@H](CNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000593454270 355889333 /nfs/dbraw/zinc/88/93/33/355889333.db2.gz HCVOQSPUFQHIRA-LLVKDONJSA-N 1 0 309.341 1.734 20 5 DDBDRO [NH3+]CC1(CCNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000593730948 355978629 /nfs/dbraw/zinc/97/86/29/355978629.db2.gz OXDDWCAIXXOPHU-UHFFFAOYSA-N 1 0 313.379 1.143 20 5 DDBDRO Cc1c(NC(=O)CCN2C[C@H]3CC[C@@H](C2)[NH2+]3)cccc1[N+](=O)[O-] ZINC000601329646 358500010 /nfs/dbraw/zinc/50/00/10/358500010.db2.gz LSIGFLJXPINBOA-BETUJISGSA-N 1 0 318.377 1.668 20 5 DDBDRO COc1ccc(OCC[N@H+](C[C@@H](C)O)C2CC2)c([N+](=O)[O-])c1 ZINC000594066320 356103464 /nfs/dbraw/zinc/10/34/64/356103464.db2.gz VPGMSRBSAMKBOS-LLVKDONJSA-N 1 0 310.350 1.827 20 5 DDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])[C@H]1C[C@]12CCC[NH2+]C2 ZINC000594433121 356210734 /nfs/dbraw/zinc/21/07/34/356210734.db2.gz LZFIKCIOGQQCLG-CJNGLKHVSA-N 1 0 303.362 1.643 20 5 DDBDRO O=C1C[C@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CN1C1CC1 ZINC000594500369 356238671 /nfs/dbraw/zinc/23/86/71/356238671.db2.gz RSXYFIHHIBNKHZ-IINYFYTJSA-N 1 0 301.346 1.935 20 5 DDBDRO CO[C@](C)(CO)C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000594514375 356241770 /nfs/dbraw/zinc/24/17/70/356241770.db2.gz VXAMOHBQAUQGKS-HOCLYGCPSA-N 1 0 308.378 1.903 20 5 DDBDRO Cn1nnc2c1CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)C2 ZINC000594517001 356241819 /nfs/dbraw/zinc/24/18/19/356241819.db2.gz TZMYZVQGFFONPQ-SNVBAGLBSA-N 1 0 305.313 1.510 20 5 DDBDRO COc1cc(CN2CC[C@@H]([NH3+])[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000347036812 283156593 /nfs/dbraw/zinc/15/65/93/283156593.db2.gz HIOIXKCUWLDPOP-CMPLNLGQSA-N 1 0 309.366 1.781 20 5 DDBDRO CC[C@H](CO)[NH+]1CCN(Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595327775 356450283 /nfs/dbraw/zinc/45/02/83/356450283.db2.gz UDZKWSCLNCCPGP-CQSZACIVSA-N 1 0 311.357 1.622 20 5 DDBDRO O=[N+]([O-])c1cc(F)ccc1CN1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000595303603 356440222 /nfs/dbraw/zinc/44/02/22/356440222.db2.gz AFBXCCSNRKTRRO-ZBFHGGJFSA-N 1 0 323.368 1.765 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](C)c1nccn1C ZINC000595382003 356472966 /nfs/dbraw/zinc/47/29/66/356472966.db2.gz BAHXKCQLWFWTGE-SNVBAGLBSA-N 1 0 324.362 1.676 20 5 DDBDRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595551448 356546550 /nfs/dbraw/zinc/54/65/50/356546550.db2.gz LZMGPXFKDXOHES-VXGBXAGGSA-N 1 0 311.357 1.621 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCC(c3ccco3)CC2)c1 ZINC000595619071 356580303 /nfs/dbraw/zinc/58/03/03/356580303.db2.gz ZQUQSEVQDXEWQM-AWEZNQCLSA-N 1 0 320.349 1.625 20 5 DDBDRO COc1ccc(OCC[NH+]2C[C@@H](C)C(O)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000595742409 356631199 /nfs/dbraw/zinc/63/11/99/356631199.db2.gz GARUDNIRZYTCEU-VXGBXAGGSA-N 1 0 324.377 1.931 20 5 DDBDRO CC[C@H](C)[C@H]([NH3+])C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000237011411 202121821 /nfs/dbraw/zinc/12/18/21/202121821.db2.gz ZCWCENSBECHEEQ-WFASDCNBSA-N 1 0 320.393 1.617 20 5 DDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CCC[NH2+]C1 ZINC000236983474 202107867 /nfs/dbraw/zinc/10/78/67/202107867.db2.gz JZRXDIVWIJFJCX-LLVKDONJSA-N 1 0 313.379 1.188 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000595836996 356672601 /nfs/dbraw/zinc/67/26/01/356672601.db2.gz ZQIPEGFZQVMEAB-MELADBBJSA-N 1 0 322.361 1.303 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@@H]3COC[C@@H]3C2)c1 ZINC000595826786 356666029 /nfs/dbraw/zinc/66/60/29/356666029.db2.gz IOEKLKUNKQGBAJ-OCCSQVGLSA-N 1 0 320.345 1.850 20 5 DDBDRO C[N@H+]1C[C@H]2CN(C(=O)c3cc(Cl)ccc3[N+](=O)[O-])C[C@H]2C1 ZINC000192465855 283210803 /nfs/dbraw/zinc/21/08/03/283210803.db2.gz WKHRWROMWVHDOL-AOOOYVTPSA-N 1 0 309.753 1.882 20 5 DDBDRO Cc1c(CN2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cccc1[N+](=O)[O-] ZINC000595864502 356682831 /nfs/dbraw/zinc/68/28/31/356682831.db2.gz BGIJJSGBNMBVMT-MRXNPFEDSA-N 1 0 319.405 1.934 20 5 DDBDRO C[NH2+]CCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1 ZINC000237093377 202151748 /nfs/dbraw/zinc/15/17/48/202151748.db2.gz NTQQXBPVHFNCDJ-UHFFFAOYSA-N 1 0 320.393 1.780 20 5 DDBDRO COc1ccc(NC(=O)CCN(C)CC(C)(C)[NH3+])c([N+](=O)[O-])c1 ZINC000595902520 356697756 /nfs/dbraw/zinc/69/77/56/356697756.db2.gz RDABHOURONSFEQ-UHFFFAOYSA-N 1 0 324.381 1.601 20 5 DDBDRO CN(CCOc1ccccc1[N+](=O)[O-])[C@@H](C[NH3+])C(F)(F)F ZINC000595906862 356700634 /nfs/dbraw/zinc/70/06/34/356700634.db2.gz AUOAQSCRKXNXPF-NSHDSACASA-N 1 0 307.272 1.795 20 5 DDBDRO [NH3+]CC12CC(C1)CN2C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000595965778 356727615 /nfs/dbraw/zinc/72/76/15/356727615.db2.gz JZKDPGBJBMZBEL-UHFFFAOYSA-N 1 0 305.334 1.313 20 5 DDBDRO O=[N+]([O-])c1cncc(Cl)c1NC[C@@H]1CCC[N@H+]1CCCO ZINC000596257489 356834741 /nfs/dbraw/zinc/83/47/41/356834741.db2.gz LFEYKXUUZSAYNM-JTQLQIEISA-N 1 0 314.773 1.324 20 5 DDBDRO CC[C@H](C)[NH+]1CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000596258908 356834940 /nfs/dbraw/zinc/83/49/40/356834940.db2.gz NWNZHZSDQMNKRA-NSHDSACASA-N 1 0 306.366 1.614 20 5 DDBDRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000597532374 357211964 /nfs/dbraw/zinc/21/19/64/357211964.db2.gz JLRYDYWMSXWHOU-VXGBXAGGSA-N 1 0 309.370 1.125 20 5 DDBDRO Cc1cc(OCC(=O)N2CC[C@H]([NH+](C)C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000597700157 357290946 /nfs/dbraw/zinc/29/09/46/357290946.db2.gz MCMCKFJEAMLUQR-WFASDCNBSA-N 1 0 321.377 1.833 20 5 DDBDRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000597942241 357392939 /nfs/dbraw/zinc/39/29/39/357392939.db2.gz IXPUEEZWIIZBMK-ZDUSSCGKSA-N 1 0 322.409 1.597 20 5 DDBDRO Cc1cccc(C(=O)NCCN(C)CCC[NH+](C)C)c1[N+](=O)[O-] ZINC000597989273 357407060 /nfs/dbraw/zinc/40/70/60/357407060.db2.gz AUWAXCNGAPWSEQ-UHFFFAOYSA-N 1 0 322.409 1.517 20 5 DDBDRO CN(CC1C[NH+](C)C1)C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000598163060 357479580 /nfs/dbraw/zinc/47/95/80/357479580.db2.gz MQNNPWVFMQTRCE-UHFFFAOYSA-N 1 0 316.361 1.570 20 5 DDBDRO CC[NH+](CC)C[C@@H](C)Nc1nccc(C(=O)OC)c1[N+](=O)[O-] ZINC000598589589 357642989 /nfs/dbraw/zinc/64/29/89/357642989.db2.gz UBKPYYHCUYFXBF-SNVBAGLBSA-N 1 0 310.354 1.919 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000598668626 357678501 /nfs/dbraw/zinc/67/85/01/357678501.db2.gz CKYGGRFWZHEAGF-BMIGLBTASA-N 1 0 305.334 1.557 20 5 DDBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1COCCN1C ZINC000599082683 357809850 /nfs/dbraw/zinc/80/98/50/357809850.db2.gz YHRYJJVNSGXWQN-DZGCQCFKSA-N 1 0 307.394 1.836 20 5 DDBDRO O=[N+]([O-])c1cccc(S(=O)(=O)N[C@H]2CC[NH2+]C23CCC3)c1 ZINC000599101574 357816211 /nfs/dbraw/zinc/81/62/11/357816211.db2.gz LRVNDFGKHLOHFH-LBPRGKRZSA-N 1 0 311.363 1.158 20 5 DDBDRO COC(=O)[C@@]1(OC)CC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000599564178 357974464 /nfs/dbraw/zinc/97/44/64/357974464.db2.gz QCSUDTGDOJMBRO-XHDPSFHLSA-N 1 0 308.334 1.920 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000599602955 357989305 /nfs/dbraw/zinc/98/93/05/357989305.db2.gz BCERRQIHNJKOJF-NXEZZACHSA-N 1 0 308.338 1.865 20 5 DDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000599604901 357990547 /nfs/dbraw/zinc/99/05/47/357990547.db2.gz FCOZYYSCHINCHL-LLVKDONJSA-N 1 0 308.338 1.267 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)C[C@H]1C[C@@H](O)C1 ZINC000599669059 358016960 /nfs/dbraw/zinc/01/69/60/358016960.db2.gz BGXSDKBJHSQFGN-BJHJDKERSA-N 1 0 307.350 1.544 20 5 DDBDRO COC(=O)[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)[C@@H]2CCC[C@H]21 ZINC000599659041 358012579 /nfs/dbraw/zinc/01/25/79/358012579.db2.gz OAXNDBFFFKBLNB-BFHYXJOUSA-N 1 0 322.365 1.455 20 5 DDBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)C[C@H]1C[C@@H](O)C1 ZINC000599673874 358019119 /nfs/dbraw/zinc/01/91/19/358019119.db2.gz VDGIAUMJNDUUMJ-UTUOFQBUSA-N 1 0 307.350 1.625 20 5 DDBDRO COc1ccc(CNC(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)cc1[N+](=O)[O-] ZINC000599909317 358078724 /nfs/dbraw/zinc/07/87/24/358078724.db2.gz XWVDAVNCBSJMGQ-CMPLNLGQSA-N 1 0 322.365 1.543 20 5 DDBDRO Cc1ccc([C@H](C)NC(=O)NC[C@@H]2COCC[NH2+]2)cc1[N+](=O)[O-] ZINC000599920071 358080935 /nfs/dbraw/zinc/08/09/35/358080935.db2.gz HAWOOZFZWNTQMA-WCQYABFASA-N 1 0 322.365 1.252 20 5 DDBDRO [NH3+][C@H]1CC[C@@H]2CN(C(=O)CCc3cccc([N+](=O)[O-])c3)C[C@@H]12 ZINC000185094497 199807963 /nfs/dbraw/zinc/80/79/63/199807963.db2.gz ZZHCKZGKVHNMDS-YUELXQCFSA-N 1 0 303.362 1.723 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000600228489 358162394 /nfs/dbraw/zinc/16/23/94/358162394.db2.gz BTAJWUXRCXLZFL-LBPRGKRZSA-N 1 0 321.381 1.465 20 5 DDBDRO O=C(NC[C@H]1CC[N@@H+]1C1CCCCC1)c1[nH]ncc1[N+](=O)[O-] ZINC000600228809 358163505 /nfs/dbraw/zinc/16/35/05/358163505.db2.gz FWOZIMIDOPTOBI-LLVKDONJSA-N 1 0 307.354 1.455 20 5 DDBDRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000237351151 202242286 /nfs/dbraw/zinc/24/22/86/202242286.db2.gz WZBHDTLKYRKQTK-NEPJUHHUSA-N 1 0 307.350 1.702 20 5 DDBDRO CC(C)(C)[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000180540596 199173275 /nfs/dbraw/zinc/17/32/75/199173275.db2.gz SUJHARWBKHLSFB-UHFFFAOYSA-N 1 0 321.381 1.565 20 5 DDBDRO C[C@@H](C[NH3+])N(C)C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000237417314 202259263 /nfs/dbraw/zinc/25/92/63/202259263.db2.gz SPCBBJPHIMTCRP-VIFPVBQESA-N 1 0 315.757 1.823 20 5 DDBDRO O=[N+]([O-])c1cc(Cl)ccc1-n1cc(C[C@@H]2CC[NH2+]C2)nn1 ZINC000600971143 358363453 /nfs/dbraw/zinc/36/34/53/358363453.db2.gz UUVPLQVAIRZTJF-VIFPVBQESA-N 1 0 307.741 1.981 20 5 DDBDRO CN1CC[C@H]([NH+]2CCC(Nc3ccccc3[N+](=O)[O-])CC2)C1=O ZINC000601176418 358434599 /nfs/dbraw/zinc/43/45/99/358434599.db2.gz HMXLSSBKCXITLM-HNNXBMFYSA-N 1 0 318.377 1.702 20 5 DDBDRO CC[C@H]1C[N@H+](C)CCCN1c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000601189387 358440115 /nfs/dbraw/zinc/44/01/15/358440115.db2.gz QPAQAWFKLAFQHS-NSHDSACASA-N 1 0 306.366 1.614 20 5 DDBDRO O=C(c1c(F)cccc1[N+](=O)[O-])N1CCN(CCCF)CC1 ZINC000601651917 358638439 /nfs/dbraw/zinc/63/84/39/358638439.db2.gz VONHLDMTQWBCRX-UHFFFAOYSA-N 1 0 313.304 1.851 20 5 DDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000601554905 358599158 /nfs/dbraw/zinc/59/91/58/358599158.db2.gz AVPICYKOMSFZFL-HIFRSBDPSA-N 1 0 303.362 1.738 20 5 DDBDRO C[NH+](C)[C@@H]1CCN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000181200235 199264210 /nfs/dbraw/zinc/26/42/10/199264210.db2.gz CMRTUFXBWUWMDY-SNVBAGLBSA-N 1 0 307.306 1.100 20 5 DDBDRO C[N@@H+]1CC[C@@H](CC(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000602099669 358812823 /nfs/dbraw/zinc/81/28/23/358812823.db2.gz ZALUZIINPTYMBR-LBPRGKRZSA-N 1 0 307.350 1.432 20 5 DDBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@@H]2CCCS(=O)(=O)CC2)c1 ZINC000602014409 358776612 /nfs/dbraw/zinc/77/66/12/358776612.db2.gz CSGVLMNIMZRBOB-CYBMUJFWSA-N 1 0 312.391 1.694 20 5 DDBDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000348160652 283396268 /nfs/dbraw/zinc/39/62/68/283396268.db2.gz LTLVMHNZCCAKDJ-MNOVXSKESA-N 1 0 317.349 1.475 20 5 DDBDRO COC[C@]1(C(=O)NCc2ccccc2[N+](=O)[O-])CCCC[NH2+]1 ZINC000602439241 358976596 /nfs/dbraw/zinc/97/65/96/358976596.db2.gz INJGVWGMXDMLQE-HNNXBMFYSA-N 1 0 307.350 1.370 20 5 DDBDRO CC(C)(C[NH2+]CCOc1ccc([N+](=O)[O-])cc1)N1CCOCC1 ZINC000602539820 359034255 /nfs/dbraw/zinc/03/42/55/359034255.db2.gz LDABIVXHCORDSS-UHFFFAOYSA-N 1 0 323.393 1.674 20 5 DDBDRO CC[NH2+][C@H](C)C(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-] ZINC000602454644 358988698 /nfs/dbraw/zinc/98/86/98/358988698.db2.gz MPBNGRSEMNUIOF-GFCCVEGCSA-N 1 0 308.382 1.819 20 5 DDBDRO CC[NH2+][C@@H](C)C(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-] ZINC000602454645 358988745 /nfs/dbraw/zinc/98/87/45/358988745.db2.gz MPBNGRSEMNUIOF-LBPRGKRZSA-N 1 0 308.382 1.819 20 5 DDBDRO Cn1cc(C[C@H]2CC[N@H+](Cc3cn(C)nc3[N+](=O)[O-])C2)cn1 ZINC000602482229 359007031 /nfs/dbraw/zinc/00/70/31/359007031.db2.gz HPCQIYRYVSWEFT-LLVKDONJSA-N 1 0 304.354 1.126 20 5 DDBDRO Cn1cc(C[N@@H+]2CC[C@@H](Cc3ccncc3)C2)c([N+](=O)[O-])n1 ZINC000602603218 359067026 /nfs/dbraw/zinc/06/70/26/359067026.db2.gz WMLAQWUMRGRESY-ZDUSSCGKSA-N 1 0 301.350 1.788 20 5 DDBDRO Cn1cc(C[N@@H+]2CC[C@@](CO)(c3ccccc3)C2)c([N+](=O)[O-])n1 ZINC000602677055 359120430 /nfs/dbraw/zinc/12/04/30/359120430.db2.gz QBJOOQCDYNOQLH-MRXNPFEDSA-N 1 0 316.361 1.464 20 5 DDBDRO COCCN(CC[NH+](C)C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602656807 359105362 /nfs/dbraw/zinc/10/53/62/359105362.db2.gz NUADIPDSIWIKOX-UHFFFAOYSA-N 1 0 322.365 1.746 20 5 DDBDRO C[C@H]1C[C@@H]([NH3+])CN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000602601243 359064945 /nfs/dbraw/zinc/06/49/45/359064945.db2.gz ZYXGIRRJWULNMT-WCQYABFASA-N 1 0 318.377 1.757 20 5 DDBDRO C[C@@H]1OCC[C@@H]1C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000602837529 359227924 /nfs/dbraw/zinc/22/79/24/359227924.db2.gz ONSKEDOGUJJSSX-QWHCGFSZSA-N 1 0 306.366 1.537 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](CO)[C@H](C)c1ccccc1 ZINC000602809047 359205793 /nfs/dbraw/zinc/20/57/93/359205793.db2.gz DWXNSMTXJWJQLY-DOMZBBRYSA-N 1 0 318.377 1.854 20 5 DDBDRO CCC[C@]1(C)C(=O)NCCN1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602816808 359212388 /nfs/dbraw/zinc/21/23/88/359212388.db2.gz PHSJKIKQAYZDES-CQSZACIVSA-N 1 0 309.370 1.090 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 ZINC000602819419 359214608 /nfs/dbraw/zinc/21/46/08/359214608.db2.gz BGPUSIKALOJBCS-ZOWXZIJZSA-N 1 0 324.381 1.368 20 5 DDBDRO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000348259915 283438045 /nfs/dbraw/zinc/43/80/45/283438045.db2.gz HHYAUBJAQMXMER-BFHYXJOUSA-N 1 0 324.377 1.739 20 5 DDBDRO Cn1cc(CN2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)c([N+](=O)[O-])n1 ZINC000603429023 359635178 /nfs/dbraw/zinc/63/51/78/359635178.db2.gz LBZSJOQUOXGUSR-ZIAGYGMSSA-N 1 0 323.397 1.047 20 5 DDBDRO CN(CC1([NH+](C)C)CCC1)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000187942018 200180455 /nfs/dbraw/zinc/18/04/55/200180455.db2.gz PAPKPERPOJMQRX-UHFFFAOYSA-N 1 0 306.366 1.733 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000604467914 359753980 /nfs/dbraw/zinc/75/39/80/359753980.db2.gz ZNVPXAMLXVSAON-GFCCVEGCSA-N 1 0 306.366 1.634 20 5 DDBDRO COc1ccc(C(=O)NC2(C[NH+](C)C)CCC2)cc1[N+](=O)[O-] ZINC000281115265 216088237 /nfs/dbraw/zinc/08/82/37/216088237.db2.gz RQJYHMHNIKSQRD-UHFFFAOYSA-N 1 0 307.350 1.818 20 5 DDBDRO Cn1cc(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)nn1 ZINC000618575436 363679559 /nfs/dbraw/zinc/67/95/59/363679559.db2.gz GTNCIULVLGWXRA-NEPJUHHUSA-N 1 0 305.342 1.193 20 5 DDBDRO [NH3+]C1CCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000237852635 202371397 /nfs/dbraw/zinc/37/13/97/202371397.db2.gz YGWQDDQRHDLFNU-UHFFFAOYSA-N 1 0 315.333 1.344 20 5 DDBDRO CC[NH2+]CCCNC(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1 ZINC000565774072 304091056 /nfs/dbraw/zinc/09/10/56/304091056.db2.gz RVAHKHUJCBEJRQ-UHFFFAOYSA-N 1 0 311.338 1.341 20 5 DDBDRO [NH3+][C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C1 ZINC000237923417 202391910 /nfs/dbraw/zinc/39/19/10/202391910.db2.gz JQCZRXNANFBJLT-LLVKDONJSA-N 1 0 304.350 1.368 20 5 DDBDRO [NH3+]CC1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000238031354 202423535 /nfs/dbraw/zinc/42/35/35/202423535.db2.gz MNGCZFRBYJKJOA-UHFFFAOYSA-N 1 0 311.769 1.988 20 5 DDBDRO CC[N@@H+]1CC[C@H](CNC(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)C1 ZINC000189212001 200364743 /nfs/dbraw/zinc/36/47/43/200364743.db2.gz OTPIPEORKNZCNY-GFCCVEGCSA-N 1 0 321.377 1.983 20 5 DDBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccncc2[N+](=O)[O-])C[C@H]1C ZINC000359020303 299308583 /nfs/dbraw/zinc/30/85/83/299308583.db2.gz PUAGKZAOZTWVGH-VXGBXAGGSA-N 1 0 321.381 1.748 20 5 DDBDRO O=[N+]([O-])c1cnccc1N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000610489263 360450316 /nfs/dbraw/zinc/45/03/16/360450316.db2.gz UOUUTYIQHHUOIB-CYBMUJFWSA-N 1 0 306.366 1.681 20 5 DDBDRO CC[N@@H+]1CCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000611087637 360618835 /nfs/dbraw/zinc/61/88/35/360618835.db2.gz ZIBMCHZCLUYAHO-ZDUSSCGKSA-N 1 0 320.393 1.584 20 5 DDBDRO CC[N@@H+]1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000611088457 360620185 /nfs/dbraw/zinc/62/01/85/360620185.db2.gz XEOSHALHXKIYFU-LBPRGKRZSA-N 1 0 306.366 1.559 20 5 DDBDRO CC[N@@H+]1CCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000611092114 360621840 /nfs/dbraw/zinc/62/18/40/360621840.db2.gz JAESPISAXNWFTR-OLZOCXBDSA-N 1 0 320.393 1.948 20 5 DDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC([NH2+]CCO)CC1 ZINC000611408133 360713558 /nfs/dbraw/zinc/71/35/58/360713558.db2.gz FZPKRCVVVBQXOL-UHFFFAOYSA-N 1 0 308.338 1.173 20 5 DDBDRO C[N@H+]1CC=C(CNC(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000272003799 209375353 /nfs/dbraw/zinc/37/53/53/209375353.db2.gz RXJVIMXKXZXSQL-UHFFFAOYSA-N 1 0 305.334 1.352 20 5 DDBDRO CC[N@@H+]1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000612030669 360895100 /nfs/dbraw/zinc/89/51/00/360895100.db2.gz WIWJMUGNOLWRJS-UONOGXRCSA-N 1 0 323.393 1.361 20 5 DDBDRO O=c1ccccn1CC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000618760292 363752054 /nfs/dbraw/zinc/75/20/54/363752054.db2.gz NBVWVQBVGRUFGL-UHFFFAOYSA-N 1 0 317.349 1.290 20 5 DDBDRO CC1(C)CC(NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC(C)(C)[NH2+]1 ZINC000193377578 201041536 /nfs/dbraw/zinc/04/15/36/201041536.db2.gz SEPCMEDQWQIMHN-UHFFFAOYSA-N 1 0 322.365 1.734 20 5 DDBDRO Cc1c(C(=O)N[C@H]2CCC[NH2+][C@H]2C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000193615158 201088431 /nfs/dbraw/zinc/08/84/31/201088431.db2.gz UDLLNKVEGCOQTI-CABZTGNLSA-N 1 0 322.321 1.682 20 5 DDBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2c2cc(N)c([N+](=O)[O-])c(CO)c2)C1 ZINC000618898196 363787898 /nfs/dbraw/zinc/78/78/98/363787898.db2.gz ZYFLWGBOGOPOMC-NHYWBVRUSA-N 1 0 320.393 1.590 20 5 DDBDRO Cc1sc(C(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)cc1[N+](=O)[O-] ZINC000619873568 364170324 /nfs/dbraw/zinc/17/03/24/364170324.db2.gz NSZWGEBRGQAXOW-NSHDSACASA-N 1 0 324.406 1.084 20 5 DDBDRO COc1cc(N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000275457178 212345805 /nfs/dbraw/zinc/34/58/05/212345805.db2.gz HHUPTGOQJMQTIH-GFCCVEGCSA-N 1 0 323.393 1.885 20 5 DDBDRO COc1cc(C(=O)N[C@@H]2CCC[NH2+]C2)cc([N+](=O)[O-])c1OC ZINC000275407478 212314337 /nfs/dbraw/zinc/31/43/37/212314337.db2.gz CLKUJXQHIHBBKX-SNVBAGLBSA-N 1 0 309.322 1.094 20 5 DDBDRO C[N@@H+]1CCCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000349787769 284053334 /nfs/dbraw/zinc/05/33/34/284053334.db2.gz VKKVBLPJOYQDJZ-UHFFFAOYSA-N 1 0 306.366 1.561 20 5 DDBDRO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1cn[nH]c1 ZINC000275155021 212156594 /nfs/dbraw/zinc/15/65/94/212156594.db2.gz HNELKNZWZWWHPF-CMPLNLGQSA-N 1 0 306.322 1.408 20 5 DDBDRO C[C@H](CC[NH3+])NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000349951375 284116587 /nfs/dbraw/zinc/11/65/87/284116587.db2.gz LKESLQXDNIYQIB-SECBINFHSA-N 1 0 315.757 1.871 20 5 DDBDRO COC(=O)c1cc(NC(=O)CC[C@@H]2CC[NH2+]C2)cc([N+](=O)[O-])c1 ZINC000261799098 203119024 /nfs/dbraw/zinc/11/90/24/203119024.db2.gz DYGKAMXYPZRQLN-SNVBAGLBSA-N 1 0 321.333 1.710 20 5 DDBDRO C[C@H](NC(=O)C1(C[NH3+])CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000262105403 203199471 /nfs/dbraw/zinc/19/94/71/203199471.db2.gz JHRUGGZKMZCZSJ-NSHDSACASA-N 1 0 307.350 1.528 20 5 DDBDRO Nc1ccc(C(=O)N[C@H](C[NH3+])C2CCCCC2)cc1[N+](=O)[O-] ZINC000262613934 203351450 /nfs/dbraw/zinc/35/14/50/203351450.db2.gz ZJEFYAQMPKZHQC-CYBMUJFWSA-N 1 0 306.366 1.814 20 5 DDBDRO CN(CCCN1CC[NH+](C)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000264609146 204026961 /nfs/dbraw/zinc/02/69/61/204026961.db2.gz FBBOFINVHHCOMQ-UHFFFAOYSA-N 1 0 310.373 1.808 20 5 DDBDRO O=C(COc1cccc([N+](=O)[O-])c1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000264661745 204060147 /nfs/dbraw/zinc/06/01/47/204060147.db2.gz TXHGGMAHZGYSTO-LBPRGKRZSA-N 1 0 319.361 1.574 20 5 DDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCn2ccnc2)n1 ZINC000351491443 284340885 /nfs/dbraw/zinc/34/08/85/284340885.db2.gz GXAHMTHUUKQDLM-QWHCGFSZSA-N 1 0 304.354 1.761 20 5 DDBDRO COc1cc(C[NH2+]C[C@]2(O)CCSC2)c([N+](=O)[O-])cc1O ZINC000266991118 205730362 /nfs/dbraw/zinc/73/03/62/205730362.db2.gz ALFWXJXSBBRVFO-CYBMUJFWSA-N 1 0 314.363 1.267 20 5 DDBDRO C[C@H]1C[C@@H](CO)CC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000288573630 220251898 /nfs/dbraw/zinc/25/18/98/220251898.db2.gz BLLUILYXXDOUDF-KCQAQPDRSA-N 1 0 324.377 1.427 20 5 DDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000159926700 197373844 /nfs/dbraw/zinc/37/38/44/197373844.db2.gz PCZAWUJCESYYMS-HNNXBMFYSA-N 1 0 321.377 1.100 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC[C@H]1C[NH+](C)C ZINC000267538970 206132853 /nfs/dbraw/zinc/13/28/53/206132853.db2.gz UNZGZPJNSNQXTF-LBPRGKRZSA-N 1 0 309.370 1.042 20 5 DDBDRO CCS(=O)(=O)C[C@@H](C)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000579493553 422780375 /nfs/dbraw/zinc/78/03/75/422780375.db2.gz MGRUOAQOXRQWFE-ZWNOBZJWSA-N 1 0 312.391 1.995 20 5 DDBDRO NC(=O)CC[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000174813149 248380045 /nfs/dbraw/zinc/38/00/45/248380045.db2.gz FVQXFAUJAAXFSW-UHFFFAOYSA-N 1 0 317.349 1.169 20 5 DDBDRO Cn1ncc(CCC[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])n1 ZINC000292893321 248784447 /nfs/dbraw/zinc/78/44/47/248784447.db2.gz GAYAOPUDOPBKOX-QPJJXVBHSA-N 1 0 301.350 1.959 20 5 DDBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000280057349 284626280 /nfs/dbraw/zinc/62/62/80/284626280.db2.gz SJTWSLGVEXPTBZ-PHIMTYICSA-N 1 0 301.302 1.632 20 5 DDBDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CCOC1 ZINC000337230277 249399583 /nfs/dbraw/zinc/39/95/83/249399583.db2.gz VTSRBBVFJCKHIZ-GRYCIOLGSA-N 1 0 307.350 1.936 20 5 DDBDRO C[C@@H]([NH2+][C@@H](C)c1cn[nH]c1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000274163002 211392321 /nfs/dbraw/zinc/39/23/21/211392321.db2.gz ZOZHVEYJTHXWGB-VHSXEESVSA-N 1 0 303.322 1.996 20 5 DDBDRO O=C(CC[N@H+]1CC[C@@](F)(CO)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000338588524 250042006 /nfs/dbraw/zinc/04/20/06/250042006.db2.gz YHQGUZUGYDEVHV-AWEZNQCLSA-N 1 0 311.313 1.330 20 5 DDBDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1cn[nH]c1 ZINC000273922559 211176623 /nfs/dbraw/zinc/17/66/23/211176623.db2.gz BOJJHKNYHUGBCP-ZJUUUORDSA-N 1 0 303.322 1.996 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000105820984 194136188 /nfs/dbraw/zinc/13/61/88/194136188.db2.gz PYQOCSXXNYEPFO-QWHCGFSZSA-N 1 0 323.393 1.490 20 5 DDBDRO COc1ccc(CN2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000105824081 194138234 /nfs/dbraw/zinc/13/82/34/194138234.db2.gz MIWSTJFFHIUTGG-QWHCGFSZSA-N 1 0 323.393 1.490 20 5 DDBDRO CC[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C[C@@H](C)O ZINC000105825356 194138548 /nfs/dbraw/zinc/13/85/48/194138548.db2.gz ZLMUXWNHUOOKLZ-HIFRSBDPSA-N 1 0 307.394 1.872 20 5 DDBDRO Cc1ccc(C[NH2+]C[C@@H]2CN(C3CC3)CCO2)cc1[N+](=O)[O-] ZINC000106379922 194204030 /nfs/dbraw/zinc/20/40/30/194204030.db2.gz CAPBBKPBVSPGMX-OAHLLOKOSA-N 1 0 305.378 1.856 20 5 DDBDRO C[C@@H]([NH2+]CCNC(=O)c1ccco1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285181658 218322704 /nfs/dbraw/zinc/32/27/04/218322704.db2.gz NHSBSLHECUKDBA-SNVBAGLBSA-N 1 0 318.333 1.851 20 5 DDBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000109966739 194300639 /nfs/dbraw/zinc/30/06/39/194300639.db2.gz VEHCQVZXAIHOKJ-CYBMUJFWSA-N 1 0 323.397 1.480 20 5 DDBDRO C[C@@H]([NH3+])C1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000110647984 194346078 /nfs/dbraw/zinc/34/60/78/194346078.db2.gz OCPHBTABKPAQQU-SNVBAGLBSA-N 1 0 313.379 1.343 20 5 DDBDRO Cc1cc(NC[C@H](O)[C@H]2CCOC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000340780848 251208739 /nfs/dbraw/zinc/20/87/39/251208739.db2.gz QGBXFZBCISOBRY-ZBEGNZNMSA-N 1 0 317.345 1.683 20 5 DDBDRO Cc1n[nH]c(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1[N+](=O)[O-] ZINC000269023401 207173741 /nfs/dbraw/zinc/17/37/41/207173741.db2.gz QIGAAVSCRRJLHH-WDEREUQCSA-N 1 0 307.354 1.183 20 5 DDBDRO O=C(CNc1ccccc1[N+](=O)[O-])N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000340967281 251308554 /nfs/dbraw/zinc/30/85/54/251308554.db2.gz APIIOZLTLMXDTA-LLVKDONJSA-N 1 0 304.350 1.360 20 5 DDBDRO C[NH+](C)C[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000114210897 194640835 /nfs/dbraw/zinc/64/08/35/194640835.db2.gz MATKZNVPPALUEZ-NSHDSACASA-N 1 0 313.379 1.167 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000158881095 197307912 /nfs/dbraw/zinc/30/79/12/197307912.db2.gz FHQKHSPZYMQJET-WCQYABFASA-N 1 0 323.397 1.335 20 5 DDBDRO C[NH+](C)C1CN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000158272426 197258756 /nfs/dbraw/zinc/25/87/56/197258756.db2.gz KAQSXRRZMPSSIQ-UHFFFAOYSA-N 1 0 315.333 1.167 20 5 DDBDRO C[C@@H](NC(=O)N1CCCO[C@@H](C[NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC000417146746 533120692 /nfs/dbraw/zinc/12/06/92/533120692.db2.gz YSOPQGHZVBKOAE-RISCZKNCSA-N 1 0 322.365 1.415 20 5 DDBDRO C[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H]1CCC[C@@H]1O ZINC000352692825 285232461 /nfs/dbraw/zinc/23/24/61/285232461.db2.gz GZAWORRXVKCKKC-KGLIPLIRSA-N 1 0 308.334 1.807 20 5 DDBDRO Cc1cc(N2CCS(=O)(=O)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000272866651 291938383 /nfs/dbraw/zinc/93/83/83/291938383.db2.gz RQEIDCKNFUAKER-UHFFFAOYSA-N 1 0 321.358 1.686 20 5 DDBDRO Cc1ccc(C[NH2+]CCCn2cc(CO)nn2)cc1[N+](=O)[O-] ZINC000289714782 221173105 /nfs/dbraw/zinc/17/31/05/221173105.db2.gz FHIFLWDLPBXXIE-UHFFFAOYSA-N 1 0 305.338 1.167 20 5 DDBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]CCO)c1 ZINC000289777746 221219434 /nfs/dbraw/zinc/21/94/34/221219434.db2.gz GXHGLSQISZSUGE-UHFFFAOYSA-N 1 0 322.102 1.281 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]1C[C@@H](C)CC[NH2+]1 ZINC000423062424 533223223 /nfs/dbraw/zinc/22/32/23/533223223.db2.gz NADBCYNSAMDKEY-GXFFZTMASA-N 1 0 307.350 1.608 20 5 DDBDRO CN(C)c1ncc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])cn1 ZINC000289866541 221280099 /nfs/dbraw/zinc/28/00/99/221280099.db2.gz QZRRJRXGPJKTJW-UHFFFAOYSA-N 1 0 316.365 1.416 20 5 DDBDRO COc1ccc(C(=O)NCCC[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000294945828 224329530 /nfs/dbraw/zinc/32/95/30/224329530.db2.gz VQNVXDJKEHSAPE-GFCCVEGCSA-N 1 0 307.350 1.865 20 5 DDBDRO CN(CC(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccccc1[N+](=O)[O-] ZINC000289941966 221330935 /nfs/dbraw/zinc/33/09/35/221330935.db2.gz WCUKOHRGVHSZGZ-OLZOCXBDSA-N 1 0 318.377 1.099 20 5 DDBDRO CO[C@H]1CCN(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000414666968 224370481 /nfs/dbraw/zinc/37/04/81/224370481.db2.gz XEIIRWABCPWWDF-STQMWFEESA-N 1 0 322.365 1.873 20 5 DDBDRO Cc1c(CC(=O)N2CC[C@H](C[NH+](C)C)C2)cccc1[N+](=O)[O-] ZINC000123025826 195535591 /nfs/dbraw/zinc/53/55/91/195535591.db2.gz SGKBQNMCJOXLEL-CYBMUJFWSA-N 1 0 305.378 1.856 20 5 DDBDRO CON1CCC([N@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000459583697 533309242 /nfs/dbraw/zinc/30/92/42/533309242.db2.gz UAGYUDYHXKADQD-UHFFFAOYSA-N 1 0 319.365 1.929 20 5 DDBDRO COC(=O)CC[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(C)c2)[C@H](C)C1 ZINC000301986549 533427692 /nfs/dbraw/zinc/42/76/92/533427692.db2.gz KDGXWNYZNOIOJP-CYBMUJFWSA-N 1 0 321.377 1.977 20 5 DDBDRO COc1cc(C(=O)N2CCCO[C@@H](C[NH3+])C2)cc([N+](=O)[O-])c1C ZINC000424016858 533518460 /nfs/dbraw/zinc/51/84/60/533518460.db2.gz FTTCMUFDIVSYGQ-LBPRGKRZSA-N 1 0 323.349 1.102 20 5 DDBDRO COc1cc(C(=O)NCCCC[NH+](C)C)c([N+](=O)[O-])cc1F ZINC000294983898 533532554 /nfs/dbraw/zinc/53/25/54/533532554.db2.gz SMNSATPLJSKEAW-UHFFFAOYSA-N 1 0 313.329 1.814 20 5 DDBDRO COc1ccc(CN2CC[C@H](OC)C[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000262338330 286308205 /nfs/dbraw/zinc/30/82/05/286308205.db2.gz UASZVALXFYWRKD-STQMWFEESA-N 1 0 309.366 1.542 20 5 DDBDRO O=C(NC[C@@H]1CCC[NH2+]C1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000569794184 304379656 /nfs/dbraw/zinc/37/96/56/304379656.db2.gz DWJJWUPZYHCTPU-GFCCVEGCSA-N 1 0 318.377 1.662 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCC([NH3+])CC2)c1C ZINC000237778747 292291211 /nfs/dbraw/zinc/29/12/11/292291211.db2.gz FOTSWJSNVGAPPR-UHFFFAOYSA-N 1 0 313.379 1.323 20 5 DDBDRO [NH3+]CCN(CCc1ccccc1)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000261647310 407566704 /nfs/dbraw/zinc/56/67/04/407566704.db2.gz CSRYOHOINUSWKH-UHFFFAOYSA-N 1 0 302.334 1.567 20 5 DDBDRO COCC[N@H+](C)CCNC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000068336856 406633203 /nfs/dbraw/zinc/63/32/03/406633203.db2.gz WALZMXZAHUKVBS-VOTSOKGWSA-N 1 0 307.350 1.302 20 5 DDBDRO CC[N@H+](CCO)CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000029840693 406927993 /nfs/dbraw/zinc/92/79/93/406927993.db2.gz GDDBZWFPYBSYDM-UHFFFAOYSA-N 1 0 311.338 1.246 20 5 DDBDRO COCCN(CC[NH+](C)C)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000078508459 407030802 /nfs/dbraw/zinc/03/08/02/407030802.db2.gz BCFMKDQFFOCXBA-UHFFFAOYSA-N 1 0 309.366 1.174 20 5 DDBDRO C[NH+](C)[C@@H]1CCCN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])C1 ZINC000078617846 407036551 /nfs/dbraw/zinc/03/65/51/407036551.db2.gz UEYTXCDKXSWAEG-SNVBAGLBSA-N 1 0 317.349 1.362 20 5 DDBDRO COc1ccc(C[NH2+]C[C@@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000038084206 406999770 /nfs/dbraw/zinc/99/97/70/406999770.db2.gz ACOLZVUUZLAAOL-NSHDSACASA-N 1 0 314.363 1.128 20 5 DDBDRO O=C(NCCC[NH+]1CCCC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000049274891 407118472 /nfs/dbraw/zinc/11/84/72/407118472.db2.gz GVLRYXMFTXWTFN-UHFFFAOYSA-N 1 0 320.349 1.135 20 5 DDBDRO O=C(NCCCC[NH+]1CCOCC1)Nc1cccc([N+](=O)[O-])c1 ZINC000046750375 407063310 /nfs/dbraw/zinc/06/33/10/407063310.db2.gz SFVIQCPVQFAOBM-UHFFFAOYSA-N 1 0 322.365 1.829 20 5 DDBDRO Cc1sc(S(=O)(=O)NC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000122867572 407313192 /nfs/dbraw/zinc/31/31/92/407313192.db2.gz OLTFIPGABMPLQE-UHFFFAOYSA-N 1 0 319.408 1.337 20 5 DDBDRO C[C@@H]1C[NH2+]CCN1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000125020595 407376710 /nfs/dbraw/zinc/37/67/10/407376710.db2.gz DAWUDUMLTGCUOP-LLVKDONJSA-N 1 0 315.333 1.214 20 5 DDBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[NH2+]C2)cc1SC ZINC000126328322 407410962 /nfs/dbraw/zinc/41/09/62/407410962.db2.gz BLXLPDKSUSRBDZ-MRVPVSSYSA-N 1 0 311.363 1.417 20 5 DDBDRO C[C@@H]1C[C@@H](N(C)C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC[N@@H+]1C ZINC000127574747 407442590 /nfs/dbraw/zinc/44/25/90/407442590.db2.gz HOTGFEGXIAZZMS-KOLCDFICSA-N 1 0 324.356 1.871 20 5 DDBDRO NC(=O)CCC1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000270995334 407458581 /nfs/dbraw/zinc/45/85/81/407458581.db2.gz BVLFSLHKBXOVKX-UHFFFAOYSA-N 1 0 321.377 1.951 20 5 DDBDRO Cc1nn(CCC(=O)N[C@@H]2CCCC[C@H]2[NH3+])c(C)c1[N+](=O)[O-] ZINC000128911910 407585771 /nfs/dbraw/zinc/58/57/71/407585771.db2.gz RKSPLWQCAHTEPX-VXGBXAGGSA-N 1 0 309.370 1.184 20 5 DDBDRO CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000178679159 407543765 /nfs/dbraw/zinc/54/37/65/407543765.db2.gz UFZIJWHKQHTRHZ-QWRGUYRKSA-N 1 0 322.365 1.788 20 5 DDBDRO [NH3+]C1(c2noc(-c3cc4c(cc3[N+](=O)[O-])OCCO4)n2)CCC1 ZINC000261792191 407617115 /nfs/dbraw/zinc/61/71/15/407617115.db2.gz GFKLTAMIAUHCLP-UHFFFAOYSA-N 1 0 318.289 1.754 20 5 DDBDRO O=[N+]([O-])c1cnn(CCN2CC[NH2+]C[C@@H]2c2cccc(F)c2)c1 ZINC000261826375 407631558 /nfs/dbraw/zinc/63/15/58/407631558.db2.gz SPNONFJXMRXDFH-OAHLLOKOSA-N 1 0 319.340 1.577 20 5 DDBDRO CC(C)C[C@H]1OCCC[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000186343809 407642392 /nfs/dbraw/zinc/64/23/92/407642392.db2.gz LTYJEVKYQKNHIN-LSDHHAIUSA-N 1 0 323.393 1.940 20 5 DDBDRO CC[C@@H]1C[N@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C[C@@H]1O ZINC000271347254 407648621 /nfs/dbraw/zinc/64/86/21/407648621.db2.gz PGOWBHLFANAJPY-MFKMUULPSA-N 1 0 310.350 1.815 20 5 DDBDRO Cc1cc(C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)cc([N+](=O)[O-])c1 ZINC000261910884 407667315 /nfs/dbraw/zinc/66/73/15/407667315.db2.gz QFGNFSWFDFPDJF-AWEZNQCLSA-N 1 0 318.377 1.023 20 5 DDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000261921957 407672467 /nfs/dbraw/zinc/67/24/67/407672467.db2.gz RRDGVWQRYGJUDK-AWEZNQCLSA-N 1 0 319.365 1.106 20 5 DDBDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000115433354 407679335 /nfs/dbraw/zinc/67/93/35/407679335.db2.gz SPZKTZXODZYNCI-ZDUSSCGKSA-N 1 0 321.377 1.774 20 5 DDBDRO CCc1n[nH]c(C(=O)NCC[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000171399678 407681135 /nfs/dbraw/zinc/68/11/35/407681135.db2.gz KRYJLRLANDFREK-UHFFFAOYSA-N 1 0 309.370 1.342 20 5 DDBDRO C[NH2+]C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)C1 ZINC000179002935 407688411 /nfs/dbraw/zinc/68/84/11/407688411.db2.gz WXVVFKBSSQRIQN-JTQLQIEISA-N 1 0 322.321 1.493 20 5 DDBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)C[C@@H]21 ZINC000262065326 407728798 /nfs/dbraw/zinc/72/87/98/407728798.db2.gz FKJQGNPUUDROOH-QCZZGDTMSA-N 1 0 307.325 1.933 20 5 DDBDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000186712602 407753253 /nfs/dbraw/zinc/75/32/53/407753253.db2.gz OEIOAVMTFPZCCM-ZWNOBZJWSA-N 1 0 306.366 1.389 20 5 DDBDRO CC(C)C[C@](C)(C[NH3+])NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000236683733 407750122 /nfs/dbraw/zinc/75/01/22/407750122.db2.gz UONQWBGLMCPWDJ-OAHLLOKOSA-N 1 0 309.366 1.853 20 5 DDBDRO C[N@@H+]1CC[C@H](NC(=O)c2[nH]ncc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000179338561 407770957 /nfs/dbraw/zinc/77/09/57/407770957.db2.gz KGDKJGXCIKJHIH-FZMZJTMJSA-N 1 0 315.333 1.493 20 5 DDBDRO O=C(CN1CCc2c(cccc2[N+](=O)[O-])C1)N1CCCCC1 ZINC000153237406 407781744 /nfs/dbraw/zinc/78/17/44/407781744.db2.gz ULVWNTATUSDPFW-UHFFFAOYSA-N 1 0 303.362 1.965 20 5 DDBDRO CCC([NH3+])(CC)CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000236848056 407779062 /nfs/dbraw/zinc/77/90/62/407779062.db2.gz SNYQWESQMQRQCV-UHFFFAOYSA-N 1 0 315.395 1.532 20 5 DDBDRO Cc1c(C(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000272186490 407810037 /nfs/dbraw/zinc/81/00/37/407810037.db2.gz DSIASIYNRAPEJM-ZJUUUORDSA-N 1 0 322.321 1.621 20 5 DDBDRO CO[C@@H]1CCN(C(=O)c2ccc(C)c([N+](=O)[O-])c2)[C@@H](C[NH3+])C1 ZINC000262365907 407814444 /nfs/dbraw/zinc/81/44/44/407814444.db2.gz WZEDULYJJYPRFT-CHWSQXEVSA-N 1 0 307.350 1.482 20 5 DDBDRO C[NH2+]C[C@@H](C)CNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237347047 407816145 /nfs/dbraw/zinc/81/61/45/407816145.db2.gz ZYGXAUJDCGEMOK-LLVKDONJSA-N 1 0 317.349 1.366 20 5 DDBDRO [NH3+]C[C@H]1CCCCN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000237958156 407856503 /nfs/dbraw/zinc/85/65/03/407856503.db2.gz BTVIADQPPLBWSP-SNVBAGLBSA-N 1 0 303.322 1.425 20 5 DDBDRO O=[N+]([O-])c1cc(Cl)cnc1NC[C@H](O)C[NH+]1CCCCC1 ZINC000153584786 407859091 /nfs/dbraw/zinc/85/90/91/407859091.db2.gz BEAHXVWGHZGLCV-NSHDSACASA-N 1 0 314.773 1.902 20 5 DDBDRO CC[C@H](C(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1)[NH+](C)C ZINC000153534426 407843811 /nfs/dbraw/zinc/84/38/11/407843811.db2.gz VVDYDNFKWMBSNU-GFCCVEGCSA-N 1 0 309.322 1.660 20 5 DDBDRO O=C([C@@H]1CCCC[NH2+]1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000237937908 407850179 /nfs/dbraw/zinc/85/01/79/407850179.db2.gz BSVKOPACJLWSRI-AAEUAGOBSA-N 1 0 319.365 1.145 20 5 DDBDRO C[C@@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000262769012 407922187 /nfs/dbraw/zinc/92/21/87/407922187.db2.gz LQIVWENWIVMEMN-SCZZXKLOSA-N 1 0 317.342 1.010 20 5 DDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC([NH+](C)C)C2)cc1OC ZINC000135635905 408042286 /nfs/dbraw/zinc/04/22/86/408042286.db2.gz BFSOJNOMJJUOSX-UHFFFAOYSA-N 1 0 323.349 1.388 20 5 DDBDRO CCO[C@@H]1C[C@@H](O)C12CC[NH+](CCn1cc([N+](=O)[O-])cn1)CC2 ZINC000174873090 407997123 /nfs/dbraw/zinc/99/71/23/407997123.db2.gz MSPHBJAGDIAIIL-ZIAGYGMSSA-N 1 0 324.381 1.043 20 5 DDBDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000136089178 408077424 /nfs/dbraw/zinc/07/74/24/408077424.db2.gz WMRPGBCLQAPHNP-LLVKDONJSA-N 1 0 309.370 1.702 20 5 DDBDRO COCCO[C@H]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000189732403 408093600 /nfs/dbraw/zinc/09/36/00/408093600.db2.gz NVKKFGSPSKVGRQ-LBPRGKRZSA-N 1 0 321.333 1.973 20 5 DDBDRO C[C@H](O)[C@@H]1CCC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000136330825 408097423 /nfs/dbraw/zinc/09/74/23/408097423.db2.gz GTLRIYNNDSIICG-GUTXKFCHSA-N 1 0 324.377 1.427 20 5 DDBDRO C[C@@H](O)C[N@@H+]1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000189571658 408054742 /nfs/dbraw/zinc/05/47/42/408054742.db2.gz IGDURHQZAHBJBW-IOASZLSFSA-N 1 0 323.393 1.015 20 5 DDBDRO CNC(=O)CCC[N@H+](C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000155298936 408148006 /nfs/dbraw/zinc/14/80/06/408148006.db2.gz JJRXOVWENRUESK-UHFFFAOYSA-N 1 0 322.365 1.300 20 5 DDBDRO C[N@@H+]1CCC[C@@H](NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000140383007 408176187 /nfs/dbraw/zinc/17/61/87/408176187.db2.gz WAXTXPMVWMUMIV-LLVKDONJSA-N 1 0 302.334 1.900 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)N1CC[NH+](C)CC1 ZINC000263750883 408237048 /nfs/dbraw/zinc/23/70/48/408237048.db2.gz JWWIIWFFOTUEEV-CYBMUJFWSA-N 1 0 320.393 1.269 20 5 DDBDRO CNC(=O)[C@@H](C)C[N@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000246284918 408204017 /nfs/dbraw/zinc/20/40/17/408204017.db2.gz XESUDVFLGSKCDT-WDEREUQCSA-N 1 0 322.365 1.236 20 5 DDBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2N)[C@@H](C)C1 ZINC000246479686 408265910 /nfs/dbraw/zinc/26/59/10/408265910.db2.gz PJIQFBCQLYHMJI-WCQYABFASA-N 1 0 320.393 1.979 20 5 DDBDRO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000246756433 408333036 /nfs/dbraw/zinc/33/30/36/408333036.db2.gz BPZHPKOFDGUVHB-SWLSCSKDSA-N 1 0 305.378 1.982 20 5 DDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1F)NCC[NH+]1CCCCC1 ZINC000131476977 162016500 /nfs/dbraw/zinc/01/65/00/162016500.db2.gz DCVFOEFYNGFADM-UHFFFAOYSA-N 1 0 309.341 1.879 20 5 DDBDRO C[C@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)[C@H]1CCCO1 ZINC000183187208 408348364 /nfs/dbraw/zinc/34/83/64/408348364.db2.gz PDOQNCGMGYLTPF-NILFDRSVSA-N 1 0 319.361 1.857 20 5 DDBDRO CN(CC[NH3+])C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000571165874 304441285 /nfs/dbraw/zinc/44/12/85/304441285.db2.gz QYUHZCZWMXOSJV-UHFFFAOYSA-N 1 0 306.366 1.228 20 5 DDBDRO COc1ccc(C(=O)N2CCC([C@H](C)[NH3+])CC2)cc1[N+](=O)[O-] ZINC000171628307 162231870 /nfs/dbraw/zinc/23/18/70/162231870.db2.gz QRMHDFNYOLXXDY-JTQLQIEISA-N 1 0 307.350 1.803 20 5 DDBDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000173540901 162347376 /nfs/dbraw/zinc/34/73/76/162347376.db2.gz FNGKZLMAUCRFSL-ZDUSSCGKSA-N 1 0 321.377 1.744 20 5 DDBDRO C[N@H+](CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)C1CCCC1 ZINC000264134066 408374697 /nfs/dbraw/zinc/37/46/97/408374697.db2.gz FJORQDCWZPSQOJ-UHFFFAOYSA-N 1 0 324.356 1.920 20 5 DDBDRO Cc1cc(N[C@H](C)CC[NH+]2CCN(C)CC2)ncc1[N+](=O)[O-] ZINC000274526533 408439294 /nfs/dbraw/zinc/43/92/94/408439294.db2.gz XSVCGDVLLBPTMK-CYBMUJFWSA-N 1 0 307.398 1.736 20 5 DDBDRO CCC([NH3+])(CC)CNC(=O)CCn1nc(C)c([N+](=O)[O-])c1C ZINC000160555831 408497906 /nfs/dbraw/zinc/49/79/06/408497906.db2.gz CFJIWLABEREXJU-UHFFFAOYSA-N 1 0 311.386 1.432 20 5 DDBDRO Nc1c(F)c(N2CC[C@@H](C[NH+]3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000274711466 408504760 /nfs/dbraw/zinc/50/47/60/408504760.db2.gz YCQYRLBYYREXOR-NSHDSACASA-N 1 0 324.356 1.475 20 5 DDBDRO C[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CCSC1 ZINC000248465298 408573171 /nfs/dbraw/zinc/57/31/71/408573171.db2.gz RLDNYIMREMTOMM-NWDGAFQWSA-N 1 0 312.391 1.772 20 5 DDBDRO COC[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000248466415 408573375 /nfs/dbraw/zinc/57/33/75/408573375.db2.gz SIPZURBNOKEKJI-ZIAGYGMSSA-N 1 0 324.377 1.693 20 5 DDBDRO COc1cc(CNCC2([NH+](C)C)CCC2)c([N+](=O)[O-])cc1O ZINC000275630365 408626848 /nfs/dbraw/zinc/62/68/48/408626848.db2.gz PYRGDWPTGCEGDQ-UHFFFAOYSA-N 1 0 309.366 1.883 20 5 DDBDRO CC[N@H+](CCCO)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000270684896 408637115 /nfs/dbraw/zinc/63/71/15/408637115.db2.gz APVLWAYOKNWEDO-LBPRGKRZSA-N 1 0 309.366 1.935 20 5 DDBDRO CC[C@@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@@H]1O ZINC000270900175 408732904 /nfs/dbraw/zinc/73/29/04/408732904.db2.gz MKEAOHQIRUNWSD-DOMZBBRYSA-N 1 0 321.377 1.935 20 5 DDBDRO CC(C)C[C@H](CO)[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000185371905 408801026 /nfs/dbraw/zinc/80/10/26/408801026.db2.gz SVDXINWJTKOVKD-CYBMUJFWSA-N 1 0 309.366 1.533 20 5 DDBDRO C[C@H](C[S@@](C)=O)[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000185126389 408763530 /nfs/dbraw/zinc/76/35/30/408763530.db2.gz NDDLCHFPWBEEST-BIBXISHDSA-N 1 0 300.380 1.672 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@H](CCO)c2ccco2)c1 ZINC000185124715 408764292 /nfs/dbraw/zinc/76/42/92/408764292.db2.gz MQQJJFKFCHTZCQ-KGLIPLIRSA-N 1 0 306.318 1.935 20 5 DDBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)[N@@H+]1CCC[C@@H](C)C1 ZINC000249860316 408769397 /nfs/dbraw/zinc/76/93/97/408769397.db2.gz QGRODJJMIDXFSI-GHMZBOCLSA-N 1 0 322.365 1.546 20 5 DDBDRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)C[C@@H]12 ZINC000185175304 408775244 /nfs/dbraw/zinc/77/52/44/408775244.db2.gz FATGAQQORKBKSC-XCBZYMLSSA-N 1 0 301.346 1.804 20 5 DDBDRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000285853550 408876639 /nfs/dbraw/zinc/87/66/39/408876639.db2.gz QHPFRHDJNVXVLC-LLVKDONJSA-N 1 0 317.349 1.568 20 5 DDBDRO Cc1cc(C(=O)N2CCO[C@H]3CC[N@@H+](C)C[C@H]32)cc([N+](=O)[O-])c1 ZINC000285872558 408880447 /nfs/dbraw/zinc/88/04/47/408880447.db2.gz RLCNJFFXPORUHD-CABCVRRESA-N 1 0 319.361 1.448 20 5 DDBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](CN3CCOCC3)C2)cc1F ZINC000276288049 408829539 /nfs/dbraw/zinc/82/95/39/408829539.db2.gz HDFFUVQXHVMMOJ-AWEZNQCLSA-N 1 0 323.368 1.888 20 5 DDBDRO NC(=O)c1ccnc(NCC2CC[NH+](C3CC3)CC2)c1[N+](=O)[O-] ZINC000290880600 408848898 /nfs/dbraw/zinc/84/88/98/408848898.db2.gz BXFXKAKUYNADGR-UHFFFAOYSA-N 1 0 319.365 1.375 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000285754072 408856712 /nfs/dbraw/zinc/85/67/12/408856712.db2.gz KCJBPZNPLNBSJG-YPMHNXCESA-N 1 0 321.381 1.185 20 5 DDBDRO C[NH2+]CCCNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000285802888 408866867 /nfs/dbraw/zinc/86/68/67/408866867.db2.gz VYMQGUNATYAGBL-UHFFFAOYSA-N 1 0 303.322 1.120 20 5 DDBDRO CC[NH+](CC)[C@H](C)CNc1nc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000285981376 408901652 /nfs/dbraw/zinc/90/16/52/408901652.db2.gz BZPSPKQCKSZUEJ-SNVBAGLBSA-N 1 0 310.354 1.919 20 5 DDBDRO C[C@H](NC(=O)c1cc([N+](=O)[O-])n[nH]1)[C@H](c1ccccc1)[NH+](C)C ZINC000285984759 408902388 /nfs/dbraw/zinc/90/23/88/408902388.db2.gz FZONWUZDTCOFLD-IINYFYTJSA-N 1 0 317.349 1.739 20 5 DDBDRO COc1cc(C(=O)NCC[N@H+](C)C(C)C)cc([N+](=O)[O-])c1C ZINC000191735213 163200566 /nfs/dbraw/zinc/20/05/66/163200566.db2.gz OWKSMNCDOWBLGY-UHFFFAOYSA-N 1 0 309.366 1.982 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)n1 ZINC000286253077 408949531 /nfs/dbraw/zinc/94/95/31/408949531.db2.gz IVIYAXOHVIJSHQ-PWSUYJOCSA-N 1 0 320.349 1.815 20 5 DDBDRO Cc1n[nH]c(C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)c1[N+](=O)[O-] ZINC000277456013 408943492 /nfs/dbraw/zinc/94/34/92/408943492.db2.gz GORMHWORVGJFFC-LLVKDONJSA-N 1 0 307.354 1.373 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@@](CO)(c3ccccc3)C2)n1 ZINC000291925582 408945796 /nfs/dbraw/zinc/94/57/96/408945796.db2.gz SNFSXELCUPSXFU-MRXNPFEDSA-N 1 0 316.361 1.427 20 5 DDBDRO O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CCC[NH2+]CC1 ZINC000238170146 163399662 /nfs/dbraw/zinc/39/96/62/163399662.db2.gz VKZGANRYCKUELA-UHFFFAOYSA-N 1 0 318.377 1.631 20 5 DDBDRO [NH3+]CC[C@H]1CCCCN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000286259000 408950447 /nfs/dbraw/zinc/95/04/47/408950447.db2.gz VMPNYFMJHHLSQR-GFCCVEGCSA-N 1 0 307.350 1.704 20 5 DDBDRO C[C@@H](CCCC[NH3+])NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000292005341 408962258 /nfs/dbraw/zinc/96/22/58/408962258.db2.gz CPVLXPNMTNPTJG-JTQLQIEISA-N 1 0 323.349 1.613 20 5 DDBDRO NC(=O)[C@H]1CCC[N@@H+]1CCCNc1c(F)cccc1[N+](=O)[O-] ZINC000286410660 408980505 /nfs/dbraw/zinc/98/05/05/408980505.db2.gz ASKCDFXAJYSORA-GFCCVEGCSA-N 1 0 310.329 1.486 20 5 DDBDRO CC(C)[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)C1(CO)CCC1 ZINC000293233528 409073198 /nfs/dbraw/zinc/07/31/98/409073198.db2.gz YOKHIGZMBONURA-OAHLLOKOSA-N 1 0 323.393 1.533 20 5 DDBDRO CC[C@H](NC(=O)[C@@H]([NH3+])CCC(=O)OC)c1cccc([N+](=O)[O-])c1 ZINC000288830878 409185549 /nfs/dbraw/zinc/18/55/49/409185549.db2.gz UZVWDRFEWQFCIA-STQMWFEESA-N 1 0 323.349 1.443 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCCc2occc2C1 ZINC000288775745 409177816 /nfs/dbraw/zinc/17/78/16/409177816.db2.gz JYJULMKTQULASR-UHFFFAOYSA-N 1 0 303.318 1.798 20 5 DDBDRO CO[C@H]1COC[C@@H]1[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000290156759 409311793 /nfs/dbraw/zinc/31/17/93/409311793.db2.gz OGUZSBBTFINRJL-KBPBESRZSA-N 1 0 323.349 1.235 20 5 DDBDRO COC[C@@]1(CNC(=O)c2cc([N+](=O)[O-])ccc2C)CCC[NH2+]1 ZINC000262497089 163838777 /nfs/dbraw/zinc/83/87/77/163838777.db2.gz LPDJTQDHRUYLOM-HNNXBMFYSA-N 1 0 307.350 1.402 20 5 DDBDRO C[N@@H+]1CCO[C@@H]2CCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)C[C@H]21 ZINC000284887887 409369125 /nfs/dbraw/zinc/36/91/25/409369125.db2.gz GWNNXUMCCNJIDR-ZIAGYGMSSA-N 1 0 317.349 1.380 20 5 DDBDRO CCO[C@@H]1C[C@@H]([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)C12CCC2 ZINC000296049637 409410322 /nfs/dbraw/zinc/41/03/22/409410322.db2.gz FQGQKQUSZCBTHJ-ZIAGYGMSSA-N 1 0 321.377 1.694 20 5 DDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000296075454 409421251 /nfs/dbraw/zinc/42/12/51/409421251.db2.gz CYMPETPSDHLOHQ-ZDUSSCGKSA-N 1 0 322.365 1.563 20 5 DDBDRO CNC(=O)[C@]1(C)CC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000280721289 409425714 /nfs/dbraw/zinc/42/57/14/409425714.db2.gz IAYJDADTFAWPQV-UKRRQHHQSA-N 1 0 307.350 1.086 20 5 DDBDRO Cc1c(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000295337597 409441105 /nfs/dbraw/zinc/44/11/05/409441105.db2.gz XZMBQIUWAOCDER-IAZYJMLFSA-N 1 0 320.305 1.067 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H](C)CCC[NH3+] ZINC000313555687 164010755 /nfs/dbraw/zinc/01/07/55/164010755.db2.gz SPQIEVKOFGLKMV-SNVBAGLBSA-N 1 0 301.368 1.309 20 5 DDBDRO O=C(NCCC[NH2+]Cc1cccnc1)c1ccc([N+](=O)[O-])[nH]1 ZINC000314544732 164015680 /nfs/dbraw/zinc/01/56/80/164015680.db2.gz UNOYFFSMPWJKDF-UHFFFAOYSA-N 1 0 303.322 1.228 20 5 DDBDRO COc1ccc([C@H](C)[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000321307690 164043801 /nfs/dbraw/zinc/04/38/01/164043801.db2.gz WGNDFCCWVXDAFU-SMDDNHRTSA-N 1 0 320.349 1.512 20 5 DDBDRO C[N@H+](C[C@@H](O)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1)C1CC1 ZINC000324174993 164049893 /nfs/dbraw/zinc/04/98/93/164049893.db2.gz WFYGKBDOCUKSOM-CQSZACIVSA-N 1 0 317.349 1.308 20 5 DDBDRO C[NH+]1CCC([C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])c[nH]3)C2)CC1 ZINC000407995912 164192218 /nfs/dbraw/zinc/19/22/18/164192218.db2.gz JMEZFGFXNRGOAC-GFCCVEGCSA-N 1 0 306.366 1.727 20 5 DDBDRO COC[C@@]1(C(=O)OC)CC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000296311655 409500351 /nfs/dbraw/zinc/50/03/51/409500351.db2.gz OEVHPXSPBSAWDC-MRXNPFEDSA-N 1 0 322.361 1.915 20 5 DDBDRO C[NH+](C)CCn1ccc(NC(=O)Cc2ccccc2[N+](=O)[O-])n1 ZINC000303065373 409528363 /nfs/dbraw/zinc/52/83/63/409528363.db2.gz ZMTBKLXGILEKOD-UHFFFAOYSA-N 1 0 317.349 1.534 20 5 DDBDRO C[NH+]1CCC(CCO)(NC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000354143113 409694244 /nfs/dbraw/zinc/69/42/44/409694244.db2.gz LGVQOHTVTUNMMR-UHFFFAOYSA-N 1 0 307.350 1.171 20 5 DDBDRO Cc1c(NC(=O)CCN2CCC[C@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000346110007 409790260 /nfs/dbraw/zinc/79/02/60/409790260.db2.gz VLSUCWKMWLAHON-LBPRGKRZSA-N 1 0 306.366 1.655 20 5 DDBDRO C[C@@H]1C[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000354613086 409968335 /nfs/dbraw/zinc/96/83/35/409968335.db2.gz IMQDGQIITBGJAO-MNOVXSKESA-N 1 0 313.379 1.356 20 5 DDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NCC1=CC[N@H+](C)CC1 ZINC000354566601 409943217 /nfs/dbraw/zinc/94/32/17/409943217.db2.gz CYZIELYSEBSPCK-UHFFFAOYSA-N 1 0 304.350 1.628 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H](C)Cn1cccn1 ZINC000354920746 410174098 /nfs/dbraw/zinc/17/40/98/410174098.db2.gz OFUPNVVPKGQTNK-LBPRGKRZSA-N 1 0 317.349 1.717 20 5 DDBDRO O=[N+]([O-])c1cccc(N2CCN(C[C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000346847630 410193487 /nfs/dbraw/zinc/19/34/87/410193487.db2.gz DKWFSNKVBRAGBC-CQSZACIVSA-N 1 0 304.394 1.716 20 5 DDBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000343199625 410227333 /nfs/dbraw/zinc/22/73/33/410227333.db2.gz FGOXMKVNQWHRGP-GRYCIOLGSA-N 1 0 321.381 1.795 20 5 DDBDRO C[C@H]1CN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@@H]1O ZINC000351779758 410228754 /nfs/dbraw/zinc/22/87/54/410228754.db2.gz KJRSNMHUEZBJHK-CABZTGNLSA-N 1 0 304.306 1.457 20 5 DDBDRO C[C@H](CNC(=O)c1c([N+](=O)[O-])cnn1C)[N@@H+]1CCCC[C@@H]1C ZINC000347012138 410311831 /nfs/dbraw/zinc/31/18/31/410311831.db2.gz LSJBRUAPOIIYCR-WDEREUQCSA-N 1 0 309.370 1.321 20 5 DDBDRO NC(=O)CC[C@@H]1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000339708513 410405949 /nfs/dbraw/zinc/40/59/49/410405949.db2.gz MLPXYUYANZHDBX-ZDUSSCGKSA-N 1 0 321.377 1.951 20 5 DDBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](C)S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000358261574 410425222 /nfs/dbraw/zinc/42/52/22/410425222.db2.gz YPNBANBJPROIGD-GHMZBOCLSA-N 1 0 300.380 1.987 20 5 DDBDRO CC[N@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)C[C@H](C)O ZINC000352202348 410543704 /nfs/dbraw/zinc/54/37/04/410543704.db2.gz JHEFRJFPZHOZEO-NSHDSACASA-N 1 0 309.366 1.935 20 5 DDBDRO C[NH+](C)CC1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000330552392 410770072 /nfs/dbraw/zinc/77/00/72/410770072.db2.gz STXOWVMNZDTUOL-UHFFFAOYSA-N 1 0 305.378 1.938 20 5 DDBDRO CN(CC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CC[N@@H+](C2CC2)C1 ZINC000348211748 410857490 /nfs/dbraw/zinc/85/74/90/410857490.db2.gz FXNIZQZDTQYCEX-ZDUSSCGKSA-N 1 0 318.377 1.702 20 5 DDBDRO Cc1c(NC(=O)CCN2CC[N@@H+](C)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000330679535 410871813 /nfs/dbraw/zinc/87/18/13/410871813.db2.gz XUKXPQRVZUZRBZ-GFCCVEGCSA-N 1 0 320.393 1.868 20 5 DDBDRO Cn1ccnc1[C@H](NCC[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000348436392 410964805 /nfs/dbraw/zinc/96/48/05/410964805.db2.gz XAPVYDDDEMQCPJ-CQSZACIVSA-N 1 0 303.366 1.569 20 5 DDBDRO O=[N+]([O-])c1ccc(OC(F)F)c(CN2C[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000359474761 167511701 /nfs/dbraw/zinc/51/17/01/167511701.db2.gz QRWBUGNOLMZSGI-GHMZBOCLSA-N 1 0 313.304 1.847 20 5 DDBDRO Cn1nc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000356453408 411038539 /nfs/dbraw/zinc/03/85/39/411038539.db2.gz ZSUQDEIPZLLOCK-UHFFFAOYSA-N 1 0 309.370 1.321 20 5 DDBDRO O=C(c1n[nH]cc1[N+](=O)[O-])N1CC[NH+]([C@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000131595509 196182630 /nfs/dbraw/zinc/18/26/30/196182630.db2.gz OHKFHIRPZZXHBC-TUAOUCFPSA-N 1 0 319.365 1.264 20 5 DDBDRO C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H](CO)C(C)(C)C ZINC000134430201 196390642 /nfs/dbraw/zinc/39/06/42/196390642.db2.gz KCHITKAVBHBWOQ-ZDUSSCGKSA-N 1 0 309.366 1.533 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000415578725 224658421 /nfs/dbraw/zinc/65/84/21/224658421.db2.gz IYYFZLUBOXEMEP-GFCCVEGCSA-N 1 0 322.365 1.793 20 5 DDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000571670497 304479067 /nfs/dbraw/zinc/47/90/67/304479067.db2.gz GXUBDTSYQPWWCT-MRXNPFEDSA-N 1 0 303.362 1.739 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@@H]([NH3+])C(C)C ZINC000417167898 225230935 /nfs/dbraw/zinc/23/09/35/225230935.db2.gz AACWFBYSKAZPKH-GFCCVEGCSA-N 1 0 310.354 1.386 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)n1 ZINC000191823267 418522844 /nfs/dbraw/zinc/52/28/44/418522844.db2.gz GBKHGDBSQACSQC-LBPRGKRZSA-N 1 0 321.381 1.369 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(N2CCC(OCC[NH+](C)C)CC2)n1 ZINC000360868620 418537204 /nfs/dbraw/zinc/53/72/04/418537204.db2.gz BOMDJVYGCGFJCD-UHFFFAOYSA-N 1 0 308.382 1.845 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000374647259 418550507 /nfs/dbraw/zinc/55/05/07/418550507.db2.gz TUKUTNPNBPZKCB-LEWSCRJBSA-N 1 0 319.361 1.803 20 5 DDBDRO CCc1nn(C)c(NCCC[NH+]2CCC(O)CC2)c1[N+](=O)[O-] ZINC000360950191 418553588 /nfs/dbraw/zinc/55/35/88/418553588.db2.gz ZFRWFHNOTPHVEG-UHFFFAOYSA-N 1 0 311.386 1.149 20 5 DDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000361099690 418582971 /nfs/dbraw/zinc/58/29/71/418582971.db2.gz WPFCQEOASGKLJR-LSDHHAIUSA-N 1 0 303.362 1.642 20 5 DDBDRO COC[C@](C)(CCO)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000361259780 418614782 /nfs/dbraw/zinc/61/47/82/418614782.db2.gz NGRUOBCFWJWWMN-AWEZNQCLSA-N 1 0 308.338 1.348 20 5 DDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000367888857 418653243 /nfs/dbraw/zinc/65/32/43/418653243.db2.gz ZDBQZLCPIQNPTP-NSHDSACASA-N 1 0 318.377 1.924 20 5 DDBDRO CC(C)[C@@]1(CO)CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000368065795 418683180 /nfs/dbraw/zinc/68/31/80/418683180.db2.gz VDRULCUJLHOEKI-INIZCTEOSA-N 1 0 321.377 1.874 20 5 DDBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@@H]1C[C@@H]1[N+](=O)[O-] ZINC000368133899 418694541 /nfs/dbraw/zinc/69/45/41/418694541.db2.gz IDLDZDDNNXPULU-RZFFKMDDSA-N 1 0 303.362 1.288 20 5 DDBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000363503258 418766635 /nfs/dbraw/zinc/76/66/35/418766635.db2.gz BEDRIQKLVJNFEO-HIFRSBDPSA-N 1 0 320.393 2.211 20 5 DDBDRO O=C(CCn1cc([N+](=O)[O-])cn1)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000371232342 418770194 /nfs/dbraw/zinc/77/01/94/418770194.db2.gz RUZGAKOTKBIQSL-GXTWGEPZSA-N 1 0 321.381 1.172 20 5 DDBDRO O=[N+]([O-])c1cccc2c1CCN2CC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000364666245 418798002 /nfs/dbraw/zinc/79/80/02/418798002.db2.gz ZMMLUCXUNGHDMJ-BETUJISGSA-N 1 0 303.362 1.821 20 5 DDBDRO Nc1ccc(C(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1[N+](=O)[O-] ZINC000364746167 418807328 /nfs/dbraw/zinc/80/73/28/418807328.db2.gz LPUKFRUOBLVWTQ-TZMCWYRMSA-N 1 0 318.377 1.781 20 5 DDBDRO C[C@@H](CO)[N@@H+]1CCCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000364933212 418825527 /nfs/dbraw/zinc/82/55/27/418825527.db2.gz LOBNYOKQEAERMX-LBPRGKRZSA-N 1 0 307.350 1.124 20 5 DDBDRO CC1(CNC(=O)[C@H]2C[C@@H]2[N+](=O)[O-])C[NH+](Cc2ccccc2)C1 ZINC000365564745 418876692 /nfs/dbraw/zinc/87/66/92/418876692.db2.gz NQUKJWWCAIJFKQ-KBPBESRZSA-N 1 0 303.362 1.290 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000365668957 418892072 /nfs/dbraw/zinc/89/20/72/418892072.db2.gz FRJSIHHGNJGEEN-OLZOCXBDSA-N 1 0 319.361 1.496 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCN([C@H]2CCOC2)CC1 ZINC000365671380 418892486 /nfs/dbraw/zinc/89/24/86/418892486.db2.gz DMSPITNYQDVEEB-ZDUSSCGKSA-N 1 0 319.361 1.450 20 5 DDBDRO C[C@H](C[NH3+])NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000423536422 227533718 /nfs/dbraw/zinc/53/37/18/227533718.db2.gz HVVXBIZFRCDXQG-SSDOTTSWSA-N 1 0 303.771 1.804 20 5 DDBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)NCC[C@H]1CCC[NH2+]1 ZINC000417947097 419411046 /nfs/dbraw/zinc/41/10/46/419411046.db2.gz RVOLDCVUKYFMKR-CYBMUJFWSA-N 1 0 306.366 1.579 20 5 DDBDRO C[C@H](NC(=O)N[C@@H]1CC[NH2+]C[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000417980673 419446067 /nfs/dbraw/zinc/44/60/67/419446067.db2.gz KVCZYBPVWLDZRA-NTZNESFSSA-N 1 0 306.366 1.953 20 5 DDBDRO Cc1c(CNC(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000418086210 419519981 /nfs/dbraw/zinc/51/99/81/419519981.db2.gz ZHQUEQIELGGMNK-GXFFZTMASA-N 1 0 306.366 1.843 20 5 DDBDRO CNC(=O)[C@H]1CC[N@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000421395093 419597516 /nfs/dbraw/zinc/59/75/16/419597516.db2.gz YBZKIQBEKFOPRZ-JTQLQIEISA-N 1 0 323.349 1.180 20 5 DDBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000421710518 419696636 /nfs/dbraw/zinc/69/66/36/419696636.db2.gz KZMHHZAJUCLMOH-NSHDSACASA-N 1 0 317.349 1.637 20 5 DDBDRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000418576991 419884631 /nfs/dbraw/zinc/88/46/31/419884631.db2.gz OQKYRMKHEUPKNQ-AAEUAGOBSA-N 1 0 306.366 1.734 20 5 DDBDRO C[C@H]([NH3+])C1CCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC1 ZINC000428902703 419945095 /nfs/dbraw/zinc/94/50/95/419945095.db2.gz SMPGZDQAUZNLTA-JTQLQIEISA-N 1 0 309.370 1.112 20 5 DDBDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(Cc2c([N+](=O)[O-])ncn2C)C[C@@H](C)C1 ZINC000429005574 419961867 /nfs/dbraw/zinc/96/18/67/419961867.db2.gz MNMRJNRJCPYETF-AGIUHOORSA-N 1 0 307.398 1.490 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[NH2+][C@H](C)[C@@H]1C ZINC000436058944 229445736 /nfs/dbraw/zinc/44/57/36/229445736.db2.gz JLQURGLCTRCZPF-OLZOCXBDSA-N 1 0 320.393 1.914 20 5 DDBDRO C[C@H]1CC[NH2+][C@H](C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000423185242 419986237 /nfs/dbraw/zinc/98/62/37/419986237.db2.gz NDWMHOWAEOTPAW-NHYWBVRUSA-N 1 0 303.362 1.868 20 5 DDBDRO C[C@H]1CN(CCn2ccc([N+](=O)[O-])n2)CC[N@@H+](C2CCC2)C1 ZINC000429354203 420007644 /nfs/dbraw/zinc/00/76/44/420007644.db2.gz MICGVRSKNSCSTK-ZDUSSCGKSA-N 1 0 307.398 1.598 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000415307010 420016573 /nfs/dbraw/zinc/01/65/73/420016573.db2.gz VELIDIQUYMAHEJ-UHFFFAOYSA-N 1 0 320.349 1.039 20 5 DDBDRO COc1ccc(NC(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000415436134 420065053 /nfs/dbraw/zinc/06/50/53/420065053.db2.gz JHNDUDIWGNYRJZ-PWSUYJOCSA-N 1 0 320.349 1.819 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430553501 420136694 /nfs/dbraw/zinc/13/66/94/420136694.db2.gz TWIYHPMRLNQDJJ-QWHCGFSZSA-N 1 0 320.393 1.901 20 5 DDBDRO O=C(COC1C[NH2+]C1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000423722661 420143219 /nfs/dbraw/zinc/14/32/19/420143219.db2.gz KNGFRGRZPHYIRD-UHFFFAOYSA-N 1 0 305.334 1.074 20 5 DDBDRO COC(=O)c1cc(C(=O)N[C@H]2CCC[NH2+][C@H]2C)cc([N+](=O)[O-])c1 ZINC000423593078 420091675 /nfs/dbraw/zinc/09/16/75/420091675.db2.gz FQDMFXKAQNFTIS-ZANVPECISA-N 1 0 321.333 1.252 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@H]1C[NH3+] ZINC000420297579 420188369 /nfs/dbraw/zinc/18/83/69/420188369.db2.gz YUMXLDRDEMVONM-LBPRGKRZSA-N 1 0 322.365 1.355 20 5 DDBDRO CCCN(CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000420299135 420190474 /nfs/dbraw/zinc/19/04/74/420190474.db2.gz SWUQCEIPKSBMMC-ZDUSSCGKSA-N 1 0 320.393 1.997 20 5 DDBDRO CCCN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H]1CC[NH2+]C1 ZINC000420300223 420190524 /nfs/dbraw/zinc/19/05/24/420190524.db2.gz UXKVPVRKWDGUNP-HNNXBMFYSA-N 1 0 320.393 1.997 20 5 DDBDRO C[NH2+]C[C@@H]1CCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000430915445 420203147 /nfs/dbraw/zinc/20/31/47/420203147.db2.gz CXQYWYUWIZYKLJ-STQMWFEESA-N 1 0 320.393 1.772 20 5 DDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430939898 420214865 /nfs/dbraw/zinc/21/48/65/420214865.db2.gz MUPRRTFZPZERRG-GYSYKLTISA-N 1 0 306.366 1.591 20 5 DDBDRO COC(=O)c1cc(C(=O)N[C@H]2CC[NH2+]C2(C)C)cc([N+](=O)[O-])c1 ZINC000423721726 420143705 /nfs/dbraw/zinc/14/37/05/420143705.db2.gz FDAQEYPWLMQYOI-LBPRGKRZSA-N 1 0 321.333 1.252 20 5 DDBDRO C[NH2+]C[C@H]1CCCN1CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000430574614 420143734 /nfs/dbraw/zinc/14/37/34/420143734.db2.gz TWJQFNCHYKNRTB-GFCCVEGCSA-N 1 0 306.366 1.526 20 5 DDBDRO C[C@@](C[NH3+])(NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000430572766 420143902 /nfs/dbraw/zinc/14/39/02/420143902.db2.gz OSNXVDIACXSQTJ-INIZCTEOSA-N 1 0 318.377 1.201 20 5 DDBDRO C[C@@H]1CCCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@@H]1C[NH3+] ZINC000430580075 420144836 /nfs/dbraw/zinc/14/48/36/420144836.db2.gz HGZIPLQILVOGLF-IUODEOHRSA-N 1 0 320.393 1.617 20 5 DDBDRO O=[N+]([O-])c1cnc(C(F)(F)F)cc1NC[C@@H]1C[NH2+]C[C@H]1O ZINC000420244588 420165728 /nfs/dbraw/zinc/16/57/28/420165728.db2.gz QJIVTQFQJHOLPQ-IMTBSYHQSA-N 1 0 306.244 1.001 20 5 DDBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[NH2+]C[C@@](C)(F)C1 ZINC000420339296 420221299 /nfs/dbraw/zinc/22/12/99/420221299.db2.gz SHBLWHNXZCWTJQ-XHDPSFHLSA-N 1 0 324.356 1.555 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](C[NH3+])C(C)(C)C ZINC000420363524 420237794 /nfs/dbraw/zinc/23/77/94/420237794.db2.gz NYIUGDLQBHHSLI-CYBMUJFWSA-N 1 0 308.382 1.805 20 5 DDBDRO Cc1cc(OCC(=O)N2CC[N@@H+](C)CC[C@H]2C)ccc1[N+](=O)[O-] ZINC000431989412 420242341 /nfs/dbraw/zinc/24/23/41/420242341.db2.gz ANOVAQUYDJSSCO-CYBMUJFWSA-N 1 0 321.377 1.835 20 5 DDBDRO COc1ccc(OCCN2C[C@H](C)[NH2+]C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000420408990 420268695 /nfs/dbraw/zinc/26/86/95/420268695.db2.gz WPNASBKAICUVFO-RYUDHWBXSA-N 1 0 309.366 1.664 20 5 DDBDRO CCOc1ccc(C(=O)N(C)[C@H](C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000423944871 420278761 /nfs/dbraw/zinc/27/87/61/420278761.db2.gz GEULGMNJGNYUEN-CYBMUJFWSA-N 1 0 307.350 1.803 20 5 DDBDRO Cc1c(CC(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000423973795 420288977 /nfs/dbraw/zinc/28/89/77/420288977.db2.gz DFWAOWHGYPFBCV-BDJLRTHQSA-N 1 0 305.378 1.889 20 5 DDBDRO C[N@H+](CCCCNc1c(C(N)=O)cccc1[N+](=O)[O-])C1CC1 ZINC000420638878 420339309 /nfs/dbraw/zinc/33/93/09/420339309.db2.gz PNDNNSBDSIYRGV-UHFFFAOYSA-N 1 0 306.366 1.980 20 5 DDBDRO COC(=O)c1cc(C)nc(N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)c1[N+](=O)[O-] ZINC000450782924 420529871 /nfs/dbraw/zinc/52/98/71/420529871.db2.gz ZHINPYKGAHUIAT-CMPLNLGQSA-N 1 0 320.349 1.225 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)NC(C)(C)C[NH+]2CCCC2)n1 ZINC000457054758 420598257 /nfs/dbraw/zinc/59/82/57/420598257.db2.gz QSJBEZYYAZBTSR-UHFFFAOYSA-N 1 0 309.370 1.415 20 5 DDBDRO Cc1ccc(C)c(S(=O)(=O)NC[C@H]2CC[NH2+]C2)c1[N+](=O)[O-] ZINC000440834632 420611841 /nfs/dbraw/zinc/61/18/41/420611841.db2.gz AOTJEOCLUCDYMI-NSHDSACASA-N 1 0 313.379 1.099 20 5 DDBDRO C[C@H]([NH2+][C@H](CO)[C@H]1CCCO1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000447920126 420819244 /nfs/dbraw/zinc/81/92/44/420819244.db2.gz GTNKNGKYGQVAOI-ZLKJLUDKSA-N 1 0 323.349 1.051 20 5 DDBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000493527133 420873545 /nfs/dbraw/zinc/87/35/45/420873545.db2.gz RJIGPJNYNXVWRJ-WEJQMCOXSA-N 1 0 301.346 1.961 20 5 DDBDRO CNc1nc(C(=O)N[C@H](CC(C)C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000455013088 420957200 /nfs/dbraw/zinc/95/72/00/420957200.db2.gz FXTAVHDMQNSYST-LLVKDONJSA-N 1 0 323.397 1.738 20 5 DDBDRO CNc1nc(C(=O)NCC2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000455288583 420992171 /nfs/dbraw/zinc/99/21/71/420992171.db2.gz LOUVGFAHZRYQAV-UHFFFAOYSA-N 1 0 307.354 1.103 20 5 DDBDRO CNc1nc(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000455906630 421075348 /nfs/dbraw/zinc/07/53/48/421075348.db2.gz GLAYHKVWDQNKHC-JQWIXIFHSA-N 1 0 321.381 1.490 20 5 DDBDRO C[C@H]1CC[N@H+](CCNC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000525291527 421284349 /nfs/dbraw/zinc/28/43/49/421284349.db2.gz IIPWSALUPBIWIJ-LBPRGKRZSA-N 1 0 307.350 1.432 20 5 DDBDRO C[C@@H]1C[C@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC[N@@H+]1C ZINC000525620060 421294013 /nfs/dbraw/zinc/29/40/13/421294013.db2.gz ZESTYBXVEDMQJH-NXEZZACHSA-N 1 0 321.333 1.536 20 5 DDBDRO Cc1ccc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1F ZINC000562492747 421373898 /nfs/dbraw/zinc/37/38/98/421373898.db2.gz BNAUVCBWTKVQDB-ZDUSSCGKSA-N 1 0 308.313 1.390 20 5 DDBDRO CC(C)[N@H+](C)CC1CCN(C(=O)c2cc([N+](=O)[O-])nn2C)CC1 ZINC000548163375 421406931 /nfs/dbraw/zinc/40/69/31/421406931.db2.gz PSXUTSHTCUFLOD-UHFFFAOYSA-N 1 0 323.397 1.521 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CCc1cccnc1 ZINC000562985221 421434984 /nfs/dbraw/zinc/43/49/84/421434984.db2.gz KLDIFFYOTRKNHQ-AWEZNQCLSA-N 1 0 317.345 1.562 20 5 DDBDRO C[C@H](NC(=O)c1c[nH]nc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000549189195 421496812 /nfs/dbraw/zinc/49/68/12/421496812.db2.gz BEUGNSLVFWJYBU-QWRGUYRKSA-N 1 0 321.381 1.701 20 5 DDBDRO CNc1nccc(C(=O)N[C@@H](C)C[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000563706211 421536475 /nfs/dbraw/zinc/53/64/75/421536475.db2.gz GJZFTGZWCDMTQD-NSHDSACASA-N 1 0 321.381 1.636 20 5 DDBDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000531630420 421639693 /nfs/dbraw/zinc/63/96/93/421639693.db2.gz XPJKPIPHENEIJL-GFCCVEGCSA-N 1 0 306.366 1.840 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@H]2CCC[C@@H](CO)C2)c1 ZINC000571524371 421723342 /nfs/dbraw/zinc/72/33/42/421723342.db2.gz YMALGZUYBKYVBG-VNHYZAJKSA-N 1 0 324.377 1.475 20 5 DDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000571577376 421727389 /nfs/dbraw/zinc/72/73/89/421727389.db2.gz OWLBBQTYIFDNEC-WDEREUQCSA-N 1 0 318.377 1.992 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCC(=O)N(C)C1=O ZINC000570793329 421669037 /nfs/dbraw/zinc/66/90/37/421669037.db2.gz SGAUGILOCLGGPY-GWCFXTLKSA-N 1 0 305.334 1.701 20 5 DDBDRO Cc1nccc(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)n1 ZINC000559072181 421829767 /nfs/dbraw/zinc/82/97/67/421829767.db2.gz WORRUZIZEZMPFX-CQSZACIVSA-N 1 0 318.333 1.223 20 5 DDBDRO CC[NH+](CC)CC[C@H](CO)NC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000574677073 422157636 /nfs/dbraw/zinc/15/76/36/422157636.db2.gz XXQXDCIZCZYUSP-CYBMUJFWSA-N 1 0 323.393 1.726 20 5 DDBDRO C[C@](C[NH3+])(NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)C1CC1 ZINC000574564658 422131885 /nfs/dbraw/zinc/13/18/85/422131885.db2.gz OPNRJZFPLPWVSE-CQSZACIVSA-N 1 0 307.306 1.181 20 5 DDBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCCCC[NH2+]1 ZINC000584173350 422276456 /nfs/dbraw/zinc/27/64/56/422276456.db2.gz WBSKSXFTTUHOIM-CQSZACIVSA-N 1 0 307.350 1.622 20 5 DDBDRO CC1(C)C[NH2+][C@H]1C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000592070587 422329649 /nfs/dbraw/zinc/32/96/49/422329649.db2.gz RMBHIKQTZYLLNI-ZDUSSCGKSA-N 1 0 315.333 1.921 20 5 DDBDRO O=[N+]([O-])c1cnc2ccc(N[C@H]3CCC[N@@H+]4CCCC[C@@H]34)nn21 ZINC000594602479 422351795 /nfs/dbraw/zinc/35/17/95/422351795.db2.gz QSPYHSOGWXNCFB-RYUDHWBXSA-N 1 0 316.365 2.066 20 5 DDBDRO Cn1cc(CC[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])cn1 ZINC000578316333 422544571 /nfs/dbraw/zinc/54/45/71/422544571.db2.gz WWRXEWXWUMCQBZ-UHFFFAOYSA-N 1 0 317.349 1.489 20 5 DDBDRO CC[NH+]1CCN(CCNC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000031794224 263253035 /nfs/dbraw/zinc/25/30/35/263253035.db2.gz XDJBVXSLBSQCJN-UHFFFAOYSA-N 1 0 321.381 1.354 20 5 DDBDRO CC[C@@H]([NH2+]CCCS(=O)(=O)NC)c1cccc([N+](=O)[O-])c1 ZINC000342290848 271368273 /nfs/dbraw/zinc/36/82/73/271368273.db2.gz GXLDDDGCHKYRIA-CYBMUJFWSA-N 1 0 315.395 1.575 20 5 DDBDRO C[NH+](C)CC1CCN(C(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000344581386 272065082 /nfs/dbraw/zinc/06/50/82/272065082.db2.gz NTIDQHVQYKHWTB-UHFFFAOYSA-N 1 0 321.377 1.774 20 5 DDBDRO CC[C@H]1COCCN1CC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001120590523 782043253 /nfs/dbraw/zinc/04/32/53/782043253.db2.gz YODALMMJTOHLSV-GOEBONIOSA-N 1 0 323.393 1.329 20 5 DDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(C(N)=O)nc1 ZINC000449194370 274231115 /nfs/dbraw/zinc/23/11/15/274231115.db2.gz XTKIQQNTZJUYDF-NSHDSACASA-N 1 0 314.345 1.810 20 5 DDBDRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000186749036 274306343 /nfs/dbraw/zinc/30/63/43/274306343.db2.gz KVVMOXODLDLMQS-PELKAZGASA-N 1 0 308.294 1.231 20 5 DDBDRO O=[N+]([O-])c1cc2c(ncnc2N2CC[C@H]3C[NH2+]C[C@H]3C2)s1 ZINC000261628369 275034054 /nfs/dbraw/zinc/03/40/54/275034054.db2.gz HJQZCTYQSFVECD-IUCAKERBSA-N 1 0 305.363 1.645 20 5 DDBDRO CC(C)[C@H](C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[NH+](C)C ZINC000278155003 276013182 /nfs/dbraw/zinc/01/31/82/276013182.db2.gz OTNUQVHONPHHSR-CQSZACIVSA-N 1 0 319.365 1.674 20 5 DDBDRO CCOc1cccc(N2CCC([NH2+]CCO)CC2)c1[N+](=O)[O-] ZINC000290971493 276380587 /nfs/dbraw/zinc/38/05/87/276380587.db2.gz QABRLXVKKWMSHT-UHFFFAOYSA-N 1 0 309.366 1.544 20 5 DDBDRO CN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000178946595 277001796 /nfs/dbraw/zinc/00/17/96/277001796.db2.gz MJSVSHAWDJPPHW-MRVPVSSYSA-N 1 0 319.770 1.231 20 5 DDBDRO C[N@@H+]1CCC[C@@H]2CN(c3ccc(C(N)=O)cc3[N+](=O)[O-])CC[C@H]21 ZINC000247104506 277070191 /nfs/dbraw/zinc/07/01/91/277070191.db2.gz SOPMXKQHYALAQB-CHWSQXEVSA-N 1 0 318.377 1.614 20 5 DDBDRO C[N@@H+]1CCO[C@H]2CCN(c3ncc(Cl)cc3[N+](=O)[O-])C[C@@H]21 ZINC000285012782 277130028 /nfs/dbraw/zinc/13/00/28/277130028.db2.gz MKUFLZVNNGCLAT-RYUDHWBXSA-N 1 0 312.757 1.553 20 5 DDBDRO C[NH2+]C[C@H]1CCN([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000430932430 277286404 /nfs/dbraw/zinc/28/64/04/277286404.db2.gz GMXMCQJDPABRRH-VXGBXAGGSA-N 1 0 306.366 1.463 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000237240957 277430859 /nfs/dbraw/zinc/43/08/59/277430859.db2.gz WFOPGQMRIXWBIR-WDEREUQCSA-N 1 0 307.350 1.803 20 5 DDBDRO C[C@@H](CN1CCOCC1)[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000279763102 278262898 /nfs/dbraw/zinc/26/28/98/278262898.db2.gz RSTWUHWVSBAOHP-AWEZNQCLSA-N 1 0 307.394 1.790 20 5 DDBDRO C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21)[C@H](C)[NH3+] ZINC000420434732 278360909 /nfs/dbraw/zinc/36/09/09/278360909.db2.gz FJNAHYPBHMVHQH-DTWKUNHWSA-N 1 0 324.362 1.157 20 5 DDBDRO C[C@H]([NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)C(=O)NCCF ZINC000337502578 279530744 /nfs/dbraw/zinc/53/07/44/279530744.db2.gz LYZYGLSHINKFSQ-SMDDNHRTSA-N 1 0 323.368 1.980 20 5 DDBDRO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000269304006 279641050 /nfs/dbraw/zinc/64/10/50/279641050.db2.gz YIYXLAWXFICTRJ-ONGXEEELSA-N 1 0 321.333 1.223 20 5 DDBDRO CC[C@@H]([NH2+]CC1(C(N)=O)CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000153172340 280185349 /nfs/dbraw/zinc/18/53/49/280185349.db2.gz CGWILPMVZHIYBM-CQSZACIVSA-N 1 0 321.377 1.918 20 5 DDBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@@H]2CN2CCOCC2)cc1 ZINC000075889608 280363024 /nfs/dbraw/zinc/36/30/24/280363024.db2.gz FDPURMBQYBJYJV-QGZVFWFLSA-N 1 0 319.405 1.934 20 5 DDBDRO COC[C@@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)C1CC1 ZINC000136626629 281619462 /nfs/dbraw/zinc/61/94/62/281619462.db2.gz LKGJSELISYXYMO-HUUCEWRRSA-N 1 0 319.361 1.715 20 5 DDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)C[C@H]1CCOC1 ZINC000247232108 282040047 /nfs/dbraw/zinc/04/00/47/282040047.db2.gz ZJFCKPPYVIDVQI-VXGBXAGGSA-N 1 0 307.350 1.890 20 5 DDBDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000270929682 290386284 /nfs/dbraw/zinc/38/62/84/290386284.db2.gz DYGWHWRHOCJMIW-LBPRGKRZSA-N 1 0 323.397 1.713 20 5 DDBDRO [NH3+][C@H]1CCc2nc(NC(=O)c3cc([N+](=O)[O-])c[nH]3)sc2C1 ZINC000261753757 295341700 /nfs/dbraw/zinc/34/17/00/295341700.db2.gz UCWTZUODGZLUOB-LURJTMIESA-N 1 0 307.335 1.448 20 5 DDBDRO CS[C@H](C)C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000572993125 304568422 /nfs/dbraw/zinc/56/84/22/304568422.db2.gz OLTHNFGDJRBJDI-SNVBAGLBSA-N 1 0 318.420 1.710 20 5 DDBDRO C[C@@H]1CCC[C@](CNC(=O)c2c([N+](=O)[O-])cnn2C)([NH+](C)C)C1 ZINC000163429654 298209616 /nfs/dbraw/zinc/20/96/16/298209616.db2.gz IWSDFTUPDWCTKZ-ABAIWWIYSA-N 1 0 323.397 1.569 20 5 DDBDRO Cc1c(CNC(=O)NCC[N@H+]2CC=CCC2)cccc1[N+](=O)[O-] ZINC000354288237 298392878 /nfs/dbraw/zinc/39/28/78/298392878.db2.gz XCXYQTKNIDGOFN-UHFFFAOYSA-N 1 0 318.377 1.964 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@H](C)[C@@H](CO)C1 ZINC000362077780 300001406 /nfs/dbraw/zinc/00/14/06/300001406.db2.gz ONVIWAJOJUSOJD-QWHCGFSZSA-N 1 0 321.377 1.792 20 5 DDBDRO COCC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@H]1CC[C@H](C)C1 ZINC000362153845 300017848 /nfs/dbraw/zinc/01/78/48/300017848.db2.gz GIWMKFKJKPWSKO-KBPBESRZSA-N 1 0 323.393 1.894 20 5 DDBDRO C[NH+]1CCC(CC(=O)NCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000362443263 300064524 /nfs/dbraw/zinc/06/45/24/300064524.db2.gz XTVZXPADSNDPAV-UHFFFAOYSA-N 1 0 320.393 1.855 20 5 DDBDRO Cn1nccc1[C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000363327062 300251709 /nfs/dbraw/zinc/25/17/09/300251709.db2.gz IZAHKWPCXLDNTJ-GFCCVEGCSA-N 1 0 304.354 1.404 20 5 DDBDRO C[C@H]1CN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@@H]1[NH3+] ZINC000447248890 300286154 /nfs/dbraw/zinc/28/61/54/300286154.db2.gz LIQQDFMSXQUJGS-CBAPKCEASA-N 1 0 319.770 1.216 20 5 DDBDRO Cc1cc(C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c(N)c([N+](=O)[O-])c1 ZINC000363652341 300292749 /nfs/dbraw/zinc/29/27/49/300292749.db2.gz PMAYGRUVQDFYJA-DRZSPHRISA-N 1 0 318.377 1.685 20 5 DDBDRO C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000368497260 301041214 /nfs/dbraw/zinc/04/12/14/301041214.db2.gz XBSQUIIMJXFIBB-KLHDSHLOSA-N 1 0 317.389 1.851 20 5 DDBDRO C[C@@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)CC2(CCOCC2)O1 ZINC000369292589 301158631 /nfs/dbraw/zinc/15/86/31/301158631.db2.gz GDLIVUHXJUAXHD-GFCCVEGCSA-N 1 0 310.354 1.061 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCCC[C@@H]2Cn2cccn2)c1 ZINC000369996421 301254988 /nfs/dbraw/zinc/25/49/88/301254988.db2.gz LWPDTHMDDJCBQP-CYBMUJFWSA-N 1 0 304.354 1.543 20 5 DDBDRO CCc1n[nH]c(C(=O)N2CCC[N@H+](CC(C)C)CC2)c1[N+](=O)[O-] ZINC000370067031 301269855 /nfs/dbraw/zinc/26/98/55/301269855.db2.gz WIPZSVJFYJJEOY-UHFFFAOYSA-N 1 0 323.397 1.684 20 5 DDBDRO Cc1nn(C)c(N2CC[C@@H](C3CC[NH+](C)CC3)C2)c1[N+](=O)[O-] ZINC000371065448 301420701 /nfs/dbraw/zinc/42/07/01/301420701.db2.gz WMPXBFPEGHUKDB-CYBMUJFWSA-N 1 0 307.398 1.805 20 5 DDBDRO CC(C)[N@@H+]1CCO[C@H](C(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000377661492 302206128 /nfs/dbraw/zinc/20/61/28/302206128.db2.gz GNNGYDXFCZPOAH-AWEZNQCLSA-N 1 0 307.350 1.320 20 5 DDBDRO CC1(C)C[NH2+]CC[C@@H]1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000517071525 302805996 /nfs/dbraw/zinc/80/59/96/302805996.db2.gz MXZQZHUXLINLGF-ZDUSSCGKSA-N 1 0 321.333 1.441 20 5 DDBDRO C[NH2+]C[C@H]1CCCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000519706798 302850095 /nfs/dbraw/zinc/85/00/95/302850095.db2.gz LVLYNZXLMZCPQX-SNVBAGLBSA-N 1 0 321.333 1.395 20 5 DDBDRO CN(CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C1C[NH2+]C1 ZINC000357075940 306869469 /nfs/dbraw/zinc/86/94/69/306869469.db2.gz JLRNGEMGELGEOW-UHFFFAOYSA-N 1 0 302.334 1.696 20 5 DDBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1COCCO1 ZINC000358227546 306935196 /nfs/dbraw/zinc/93/51/96/306935196.db2.gz UNKQWQYKAZTTKR-SMDDNHRTSA-N 1 0 323.349 1.317 20 5 DDBDRO O=[N+]([O-])c1ccc2[nH]c(N[C@@H](CO)C[NH+]3CCCCC3)nc2c1 ZINC000295666507 304804813 /nfs/dbraw/zinc/80/48/13/304804813.db2.gz IZRJZOUTMDAKLG-LLVKDONJSA-N 1 0 319.365 1.730 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H](CO)C1CCCC1 ZINC000289480136 304809226 /nfs/dbraw/zinc/80/92/26/304809226.db2.gz ISYCNJOIEXWZDK-KGLIPLIRSA-N 1 0 324.377 1.475 20 5 DDBDRO COc1c[nH+]ccc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000360255530 306979356 /nfs/dbraw/zinc/97/93/56/306979356.db2.gz BTQMVFNTNCYRMU-UHFFFAOYSA-N 1 0 315.333 1.720 20 5 DDBDRO CCCc1n[nH]c(C(=O)N2CC[C@H]3CC[N@H+](C)[C@H]3C2)c1[N+](=O)[O-] ZINC000362254137 307015601 /nfs/dbraw/zinc/01/56/01/307015601.db2.gz BOCBYPWNTBCYJH-PWSUYJOCSA-N 1 0 321.381 1.437 20 5 DDBDRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1 ZINC000364485933 307046454 /nfs/dbraw/zinc/04/64/54/307046454.db2.gz SKMBJLXENRHXNE-RRFJBIMHSA-N 1 0 309.410 1.622 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000367142501 307087103 /nfs/dbraw/zinc/08/71/03/307087103.db2.gz XKUSYUFGUVJORP-CHWSQXEVSA-N 1 0 307.350 1.115 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000368648164 307107234 /nfs/dbraw/zinc/10/72/34/307107234.db2.gz RJOCDSACLNENJQ-ZDUSSCGKSA-N 1 0 305.334 1.475 20 5 DDBDRO C[N@@H+]1CCC[C@H]1CCN1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369017390 307114489 /nfs/dbraw/zinc/11/44/89/307114489.db2.gz OIDFLILIDQXYMR-KBPBESRZSA-N 1 0 307.398 1.913 20 5 DDBDRO O=C(NCCNc1ccccc1[N+](=O)[O-])[C@H]1C[C@]12CC[NH2+]C2 ZINC000372499560 307168925 /nfs/dbraw/zinc/16/89/25/307168925.db2.gz BJGCUVSMWCGULR-ABAIWWIYSA-N 1 0 304.350 1.123 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1CN1CCC[N@@H+]([C@@H](C)CO)CC1 ZINC000373973119 307198765 /nfs/dbraw/zinc/19/87/65/307198765.db2.gz BBAQTIDEPAXKDX-ZDUSSCGKSA-N 1 0 323.393 1.492 20 5 DDBDRO Cc1cc(N2CCCN(CC[NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000374221225 307204179 /nfs/dbraw/zinc/20/41/79/307204179.db2.gz VUFLQPNPVRIEEB-UHFFFAOYSA-N 1 0 306.410 1.977 20 5 DDBDRO O=C(Nc1ccncc1[N+](=O)[O-])N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000376875151 307257494 /nfs/dbraw/zinc/25/74/94/307257494.db2.gz ILLOSPNNURBPIE-QWRGUYRKSA-N 1 0 305.338 1.160 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N(C)CCC[NH3+])c1 ZINC000516769186 307421865 /nfs/dbraw/zinc/42/18/65/307421865.db2.gz UFIRSBROMSDYEY-UHFFFAOYSA-N 1 0 301.368 1.181 20 5 DDBDRO C[C@H]1COCCN1CC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000566571514 308057578 /nfs/dbraw/zinc/05/75/78/308057578.db2.gz DJCNXRKWUOOYRW-SWLSCSKDSA-N 1 0 305.378 1.892 20 5 DDBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000566795040 308063602 /nfs/dbraw/zinc/06/36/02/308063602.db2.gz IWNPKSOECWDOJY-DTWKUNHWSA-N 1 0 320.353 1.396 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CC1CC(F)(F)C1 ZINC000573714341 308250534 /nfs/dbraw/zinc/25/05/34/308250534.db2.gz ZRJUCJJFZCNSRB-LLVKDONJSA-N 1 0 316.304 1.969 20 5 DDBDRO C[C@@]1(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000574071961 308260553 /nfs/dbraw/zinc/26/05/53/308260553.db2.gz OKWFWFXNQUYDAI-ZFWWWQNUSA-N 1 0 310.350 1.493 20 5 DDBDRO O=C(CC1CC[NH2+]CC1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000576161253 308293244 /nfs/dbraw/zinc/29/32/44/308293244.db2.gz XYWYVJVREFRRAQ-UHFFFAOYSA-N 1 0 304.350 1.264 20 5 DDBDRO O=[N+]([O-])c1ccc2[nH]c(CN3CC[N@@H+]4CCC[C@@H]4C3)nc2c1 ZINC000576883445 308346830 /nfs/dbraw/zinc/34/68/30/308346830.db2.gz WUYLIBULGGRKFA-GFCCVEGCSA-N 1 0 301.350 1.751 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCCC[C@@H]2C[NH3+])c1 ZINC000577721408 308409246 /nfs/dbraw/zinc/40/92/46/308409246.db2.gz DGSURIJJEWMYDQ-LLVKDONJSA-N 1 0 307.350 1.947 20 5 DDBDRO Cc1cc(S(=O)(=O)N[C@@H](C)CCC[NH3+])c(C)cc1[N+](=O)[O-] ZINC000579615214 308546330 /nfs/dbraw/zinc/54/63/30/308546330.db2.gz APSFUPHHJGIBTK-NSHDSACASA-N 1 0 315.395 1.617 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@@H](C)[C@H](C)[NH3+])c1C ZINC000381500269 325741543 /nfs/dbraw/zinc/74/15/43/325741543.db2.gz SGZOHLHKUZULPN-UWVGGRQHSA-N 1 0 301.368 1.226 20 5 DDBDRO C[C@@H](C[NH3+])CNC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000417720429 533762172 /nfs/dbraw/zinc/76/21/72/533762172.db2.gz ROUWYTBACLNEHZ-LBPRGKRZSA-N 1 0 308.382 1.812 20 5 DDBDRO Cc1c(CC(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000422774091 533836857 /nfs/dbraw/zinc/83/68/57/533836857.db2.gz ZZNQMZOZPBATEB-OCCSQVGLSA-N 1 0 305.378 1.950 20 5 DDBDRO COc1cc(C[NH2+]CCCc2cnn(C)n2)c([N+](=O)[O-])cc1O ZINC000292825643 533875718 /nfs/dbraw/zinc/87/57/18/533875718.db2.gz AETJXXYVDOFRPQ-UHFFFAOYSA-N 1 0 321.337 1.160 20 5 DDBDRO C[C@H]([NH2+]C[C@H](O)C1CCOCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294686976 533900562 /nfs/dbraw/zinc/90/05/62/533900562.db2.gz IJQJHJDDHTTYCH-BONVTDFDSA-N 1 0 309.366 1.615 20 5 DDBDRO C[C@H]1CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000430922972 533925685 /nfs/dbraw/zinc/92/56/85/533925685.db2.gz BQEUSRRAINNYAC-RYUDHWBXSA-N 1 0 306.366 1.606 20 5 DDBDRO C[C@@H]1[NH2+]CCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000417232139 534127605 /nfs/dbraw/zinc/12/76/05/534127605.db2.gz LZFFDIXVFZYAPM-RYUDHWBXSA-N 1 0 306.366 1.529 20 5 DDBDRO Cc1cc(C[NH3+])cc(NC(=O)CCn2cc([N+](=O)[O-])cn2)c1 ZINC000457374534 534172037 /nfs/dbraw/zinc/17/20/37/534172037.db2.gz LQDPHXLHGMBTKF-UHFFFAOYSA-N 1 0 303.322 1.587 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000451487981 534320374 /nfs/dbraw/zinc/32/03/74/534320374.db2.gz HSKJCWGQRYZLFK-NWANDNLSSA-N 1 0 319.361 1.304 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCC(OC2CCC2)CC1 ZINC000419307603 534321750 /nfs/dbraw/zinc/32/17/50/534321750.db2.gz UPMZZMRJBRHKHN-UHFFFAOYSA-N 1 0 321.377 1.790 20 5 DDBDRO NC(=O)[C@@H]1CCC[N@H+](CCCNc2sccc2[N+](=O)[O-])C1 ZINC000302005400 534426403 /nfs/dbraw/zinc/42/64/03/534426403.db2.gz UONNHDRLQGKZFB-SNVBAGLBSA-N 1 0 312.395 1.656 20 5 DDBDRO CC(C)(C)C1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000173759752 534558626 /nfs/dbraw/zinc/55/86/26/534558626.db2.gz HBLLDKWUDKSSGA-CQSZACIVSA-N 1 0 310.398 1.910 20 5 DDBDRO COc1cc(C(=O)N2CCC[C@H](C)[C@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000156753529 522077834 /nfs/dbraw/zinc/07/78/34/522077834.db2.gz PTGJOZVMRKTMGP-GXFFZTMASA-N 1 0 307.350 1.803 20 5 DDBDRO CC[NH2+][C@H](C)CNC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000418597811 528403614 /nfs/dbraw/zinc/40/36/14/528403614.db2.gz FGRLWZMYWIHQIC-LLVKDONJSA-N 1 0 322.365 1.497 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000422761108 528693456 /nfs/dbraw/zinc/69/34/56/528693456.db2.gz MNQXLQFJZKFWIV-LLVKDONJSA-N 1 0 307.350 1.723 20 5 DDBDRO CCOCC[C@H](O)C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000444657232 528870353 /nfs/dbraw/zinc/87/03/53/528870353.db2.gz KBVXXSFWOBKWDQ-JSGCOSHPSA-N 1 0 324.381 1.264 20 5 DDBDRO CCC([NH3+])(CC)CNC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000422875066 528947274 /nfs/dbraw/zinc/94/72/74/528947274.db2.gz BMRBACAGTDTTAD-UHFFFAOYSA-N 1 0 323.349 1.629 20 5 DDBDRO CC(C)[N@@H+]1CC[C@H](N(C)CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000452113998 529076165 /nfs/dbraw/zinc/07/61/65/529076165.db2.gz JGHZCYWSYVLCPB-ZDUSSCGKSA-N 1 0 308.382 1.171 20 5 DDBDRO CC(C)[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)C1(CO)CCCC1 ZINC000459530269 529121558 /nfs/dbraw/zinc/12/15/58/529121558.db2.gz LMSSOOIURHPVKZ-AWEZNQCLSA-N 1 0 310.398 1.958 20 5 DDBDRO CC(C)[NH+]1CCN(c2ccc(-c3nn[nH]n3)c([N+](=O)[O-])c2)CC1 ZINC000820131365 606644660 /nfs/dbraw/zinc/64/46/60/606644660.db2.gz BVYIINNCWANWHH-UHFFFAOYSA-N 1 0 317.353 1.305 20 5 DDBDRO Cc1cc(OCC(=O)N[C@H](C[NH+](C)C)C(C)C)ccc1[N+](=O)[O-] ZINC000797613352 700016378 /nfs/dbraw/zinc/01/63/78/700016378.db2.gz WWSKSGOGYRQKLB-CQSZACIVSA-N 1 0 323.393 1.984 20 5 DDBDRO O=[N+]([O-])c1ccc(NC[C@H](O)C[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000052131329 696252280 /nfs/dbraw/zinc/25/22/80/696252280.db2.gz PLHDNORPDAHVJD-LBPRGKRZSA-N 1 0 324.337 1.762 20 5 DDBDRO CCCN(CC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000104530710 696620525 /nfs/dbraw/zinc/62/05/25/696620525.db2.gz NTZFQFIYKZMOBC-UHFFFAOYSA-N 1 0 324.337 1.917 20 5 DDBDRO [NH3+]CC1(NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CCCC1 ZINC000124042878 696738213 /nfs/dbraw/zinc/73/82/13/696738213.db2.gz XDRUONZABPEWNQ-UHFFFAOYSA-N 1 0 317.342 1.284 20 5 DDBDRO O=[N+]([O-])c1ccnn1CN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000157906857 696982643 /nfs/dbraw/zinc/98/26/43/696982643.db2.gz QSWSDVLYGBYIRR-TZMCWYRMSA-N 1 0 305.382 1.698 20 5 DDBDRO O=C(C[C@H]1CC[NH2+]C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000174017765 697383236 /nfs/dbraw/zinc/38/32/36/697383236.db2.gz AELOYUHHUDXEJC-CYBMUJFWSA-N 1 0 318.377 1.243 20 5 DDBDRO COC(=O)CC(C)(C)[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000177923959 697419311 /nfs/dbraw/zinc/41/93/11/697419311.db2.gz BXMYLNRTEMYSDJ-UHFFFAOYSA-N 1 0 309.322 1.125 20 5 DDBDRO Cc1ccc(C)c(S(=O)(=O)N2CC[C@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC000193252565 697656680 /nfs/dbraw/zinc/65/66/80/697656680.db2.gz BWOGDUAZMCXWQS-LLVKDONJSA-N 1 0 313.379 1.181 20 5 DDBDRO C[C@H](CN1CCCC1=O)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000749680015 700176894 /nfs/dbraw/zinc/17/68/94/700176894.db2.gz YXKUNFVKWZNAFT-BXUZGUMPSA-N 1 0 307.350 1.229 20 5 DDBDRO CCn1cc(C[N@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)cn1 ZINC000749691065 700177678 /nfs/dbraw/zinc/17/76/78/700177678.db2.gz PCELMWDULYIJQR-HNNXBMFYSA-N 1 0 304.350 1.977 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)OCCC[NH+]1CCCC1 ZINC000800151556 700194384 /nfs/dbraw/zinc/19/43/84/700194384.db2.gz OAWMZIOQTAGLMI-UHFFFAOYSA-N 1 0 310.354 1.519 20 5 DDBDRO CC(=O)OC1CC[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776590869 698123506 /nfs/dbraw/zinc/12/35/06/698123506.db2.gz LURFVDHHLDWHBH-OAHLLOKOSA-N 1 0 308.334 1.656 20 5 DDBDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000261900866 698443420 /nfs/dbraw/zinc/44/34/20/698443420.db2.gz WQFZHUSTIJPEEM-ZJUUUORDSA-N 1 0 311.313 1.308 20 5 DDBDRO O=[N+]([O-])c1ccc(CN2CC[C@@H](N3CC[NH2+]CC3)C2)c(Cl)c1 ZINC000262409445 698468379 /nfs/dbraw/zinc/46/83/79/698468379.db2.gz DAAYNPBOQJKJSD-CQSZACIVSA-N 1 0 324.812 1.728 20 5 DDBDRO COc1ccc(C(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000262475084 698471119 /nfs/dbraw/zinc/47/11/19/698471119.db2.gz JNNMJHLGIQCYHA-ZYHUDNBSSA-N 1 0 307.350 1.660 20 5 DDBDRO COC[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000783239617 698823301 /nfs/dbraw/zinc/82/33/01/698823301.db2.gz LJWQGLGAHFQAHY-HOTGVXAUSA-N 1 0 324.377 1.659 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@]3(CCC[NH2+]3)C2)c1 ZINC000424027112 699147783 /nfs/dbraw/zinc/14/77/83/699147783.db2.gz LTRAHYPLUMTNGY-OAHLLOKOSA-N 1 0 305.334 1.572 20 5 DDBDRO C[C@@]1(CO)C[C@@H](O)CN1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000704676957 699237764 /nfs/dbraw/zinc/23/77/64/699237764.db2.gz BLUNENGNZDEQNR-MFKMUULPSA-N 1 0 300.742 1.566 20 5 DDBDRO O=C1C[C@@]2(CC[N@@H+](Cn3ncc4ccc([N+](=O)[O-])cc43)C2)CN1 ZINC000788381823 699310034 /nfs/dbraw/zinc/31/00/34/699310034.db2.gz IFTHJMYXEBRBSU-HNNXBMFYSA-N 1 0 315.333 1.114 20 5 DDBDRO C[C@H]([NH2+]CC(=O)NC1CCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788638899 699329747 /nfs/dbraw/zinc/32/97/47/699329747.db2.gz JWIWBMXKTGZSFB-JTQLQIEISA-N 1 0 306.366 1.886 20 5 DDBDRO COC[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCO1 ZINC000789384751 699383208 /nfs/dbraw/zinc/38/32/08/699383208.db2.gz ZQDOITRPNQAWHQ-ZNMIVQPWSA-N 1 0 310.350 1.412 20 5 DDBDRO C[NH+](C)CCn1nnnc1S/C=C\c1ccc([N+](=O)[O-])o1 ZINC000789906760 699419057 /nfs/dbraw/zinc/41/90/57/699419057.db2.gz CMDAWXLDVSNVRV-YVMONPNESA-N 1 0 310.339 1.499 20 5 DDBDRO C[N@@H+]1CCCC[C@@H]1CCn1cc([N+](=O)[O-])c(=O)c([N+](=O)[O-])c1 ZINC000789955456 699425230 /nfs/dbraw/zinc/42/52/30/699425230.db2.gz OUDYDADAMZPDGF-SNVBAGLBSA-N 1 0 310.310 1.539 20 5 DDBDRO COC[C@H](CO)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000793325451 699750558 /nfs/dbraw/zinc/75/05/58/699750558.db2.gz RFPRJTQBRVLHCD-ZDUSSCGKSA-N 1 0 309.366 1.161 20 5 DDBDRO NC(=O)c1ccc(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000794917265 699835480 /nfs/dbraw/zinc/83/54/80/699835480.db2.gz XPVNYLHTXMLEIL-OAHLLOKOSA-N 1 0 315.329 1.517 20 5 DDBDRO CN(CC[NH+]1CCCC1)C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000801876302 700349812 /nfs/dbraw/zinc/34/98/12/700349812.db2.gz KNLBOQFONMSTAW-UHFFFAOYSA-N 1 0 310.329 1.484 20 5 DDBDRO CC[N@H+](CCNC(=O)c1cc([N+](=O)[O-])c(F)cc1N)C(C)C ZINC000801898019 700350975 /nfs/dbraw/zinc/35/09/75/700350975.db2.gz LYHAAVQOCOUZTB-UHFFFAOYSA-N 1 0 312.345 1.776 20 5 DDBDRO C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC[N@@H+]1C ZINC000801911957 700352100 /nfs/dbraw/zinc/35/21/00/700352100.db2.gz WNCUUOLZMFWUOS-DTWKUNHWSA-N 1 0 310.329 1.529 20 5 DDBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)C[C@@H]1C ZINC000801934919 700357258 /nfs/dbraw/zinc/35/72/58/700357258.db2.gz SSQPQBGYBXLIFK-VHSXEESVSA-N 1 0 324.356 1.871 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@H](CCO)c1cccs1 ZINC000754392087 700499599 /nfs/dbraw/zinc/49/95/99/700499599.db2.gz ZIIAQAHKYONEAK-GFCCVEGCSA-N 1 0 323.374 1.531 20 5 DDBDRO COC(=O)C[C@@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000754541060 700510125 /nfs/dbraw/zinc/51/01/25/700510125.db2.gz URKXKGHBUXSCMI-ZIAGYGMSSA-N 1 0 308.334 1.560 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[N@H+](C)[C@H](C)C1 ZINC000761072087 700839256 /nfs/dbraw/zinc/83/92/56/700839256.db2.gz DPSALZQHGCTENT-CYBMUJFWSA-N 1 0 320.393 1.868 20 5 DDBDRO COCC[N@@H+]1CC[C@H](Nc2c([N+](=O)[O-])cccc2[N+](=O)[O-])C1 ZINC000804442356 701190611 /nfs/dbraw/zinc/19/06/11/701190611.db2.gz VOSTUYPDQLAFDV-JTQLQIEISA-N 1 0 310.310 1.636 20 5 DDBDRO C[N@H+]1CC=C(CNS(=O)(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000768886982 701214028 /nfs/dbraw/zinc/21/40/28/701214028.db2.gz FUSQRYXEKDFXHS-UHFFFAOYSA-N 1 0 317.392 1.197 20 5 DDBDRO NC(=O)C[C@@H]1CC[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000808227725 701509668 /nfs/dbraw/zinc/50/96/68/701509668.db2.gz CVNTUCVBWQKXFN-JTQLQIEISA-N 1 0 303.322 1.099 20 5 DDBDRO CC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000839726122 701798877 /nfs/dbraw/zinc/79/88/77/701798877.db2.gz MQUNQWXRHKLCGR-BZUAXINKSA-N 1 0 317.389 1.775 20 5 DDBDRO Cc1ccc(CNC(=O)C[C@@H]2CSCC[NH2+]2)cc1[N+](=O)[O-] ZINC000867995339 701879634 /nfs/dbraw/zinc/87/96/34/701879634.db2.gz AEMROIHCSRQINI-GFCCVEGCSA-N 1 0 309.391 1.615 20 5 DDBDRO O=C([C@@H]1CC1[N+](=O)[O-])N(CC[NH+]1CCCC1)c1ccccc1 ZINC000840359885 702084043 /nfs/dbraw/zinc/08/40/43/702084043.db2.gz VOFUHFLVMAOEAR-HUUCEWRRSA-N 1 0 303.362 1.781 20 5 DDBDRO COc1cc(C(=O)N2C[C@@H]3CC[N@H+](C)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000812332548 702156266 /nfs/dbraw/zinc/15/62/66/702156266.db2.gz JUGUFEHFOSZAPX-QWHCGFSZSA-N 1 0 319.361 1.627 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(c3cc(F)c([N+](=O)[O-])cc3CO)CC[C@@H]21 ZINC000866209021 706649230 /nfs/dbraw/zinc/64/92/30/706649230.db2.gz NEVSYRSBRFUYLY-MFKMUULPSA-N 1 0 309.341 1.757 20 5 DDBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC(=O)NCC1CC1 ZINC000866336785 706676383 /nfs/dbraw/zinc/67/63/83/706676383.db2.gz MNIIQNVPCUHMSG-SNVBAGLBSA-N 1 0 309.341 1.781 20 5 DDBDRO CN(CC[NH3+])C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000818010086 702552260 /nfs/dbraw/zinc/55/22/60/702552260.db2.gz BXUNGXSJNNGAOZ-UHFFFAOYSA-N 1 0 320.118 1.527 20 5 DDBDRO Cc1cc(C(=O)N2CC[C@]3(CCC[NH2+]3)C2)c(N)c([N+](=O)[O-])c1 ZINC000818018155 702555971 /nfs/dbraw/zinc/55/59/71/702555971.db2.gz JAKSUWFGZFIBOW-OAHLLOKOSA-N 1 0 304.350 1.454 20 5 DDBDRO C[NH+](C)CCCS(=O)(=O)Oc1ccc([N+](=O)[O-])cc1Cl ZINC000866377879 706684826 /nfs/dbraw/zinc/68/48/26/706684826.db2.gz OXEYPLCNBCXDJI-UHFFFAOYSA-N 1 0 322.770 1.909 20 5 DDBDRO Cc1cc(S(=O)(=O)NCCCCCC[NH3+])ccc1[N+](=O)[O-] ZINC000842919148 702791185 /nfs/dbraw/zinc/79/11/85/702791185.db2.gz KMKDJBDGSVJMGO-UHFFFAOYSA-N 1 0 315.395 1.701 20 5 DDBDRO CN(CCN1CC[NH2+]CC1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000843053343 702809222 /nfs/dbraw/zinc/80/92/22/702809222.db2.gz XDUOXXLNXYZDSU-UHFFFAOYSA-N 1 0 312.801 1.585 20 5 DDBDRO CC(C)(CCc1noc(C[C@H]2CSCC[NH2+]2)n1)[N+](=O)[O-] ZINC000843232766 702846718 /nfs/dbraw/zinc/84/67/18/702846718.db2.gz BULDXLUMLDSABB-VIFPVBQESA-N 1 0 300.384 1.305 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N[C@](C)(C[NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000843346584 702863679 /nfs/dbraw/zinc/86/36/79/702863679.db2.gz AMHJBCJRNNQLCY-CQSZACIVSA-N 1 0 324.337 1.915 20 5 DDBDRO Cc1cc(F)cc(C(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)c1[N+](=O)[O-] ZINC000843356759 702865703 /nfs/dbraw/zinc/86/57/03/702865703.db2.gz AMCCWUWFOGVYMO-CABZTGNLSA-N 1 0 311.313 1.231 20 5 DDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000843485724 702890912 /nfs/dbraw/zinc/89/09/12/702890912.db2.gz QJPNWFXMPSFXFR-VXGBXAGGSA-N 1 0 318.377 1.639 20 5 DDBDRO C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC000844052224 702963379 /nfs/dbraw/zinc/96/33/79/702963379.db2.gz VDCJTSMOOIPQNC-APIJFGDWSA-N 1 0 303.362 1.113 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH+]2CCC(C3(O)CC3)CC2)cc1 ZINC000844363118 703019899 /nfs/dbraw/zinc/01/98/99/703019899.db2.gz NLDZEQGUQAJKBH-HNNXBMFYSA-N 1 0 306.362 1.865 20 5 DDBDRO O=C(CN1C[C@@H]2C[C@H]1C[NH2+]2)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000866678533 706762423 /nfs/dbraw/zinc/76/24/23/706762423.db2.gz ANAVNOYUMHINCD-UWVGGRQHSA-N 1 0 310.741 1.233 20 5 DDBDRO CC1(NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC[NH2+]CC1 ZINC000818583824 703931305 /nfs/dbraw/zinc/93/13/05/703931305.db2.gz ZMXNIOXMMKKAKX-UHFFFAOYSA-N 1 0 311.313 1.371 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H]2CCN(CC3CC3)C2)cc1 ZINC000819039568 704056753 /nfs/dbraw/zinc/05/67/53/704056753.db2.gz RWDVJMDVCPPHRG-GDBMZVCRSA-N 1 0 305.378 1.702 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CCOC[C@@H]2CCOC2)cc1 ZINC000819046769 704057614 /nfs/dbraw/zinc/05/76/14/704057614.db2.gz SFVDYCVVYWDLQD-DOMZBBRYSA-N 1 0 310.350 1.271 20 5 DDBDRO CCS(=O)(=O)C[C@H](C)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819064819 704064014 /nfs/dbraw/zinc/06/40/14/704064014.db2.gz DGSWWXVYICTNOK-GXFFZTMASA-N 1 0 316.379 1.041 20 5 DDBDRO CON(C)C(=O)CC[NH2+]CCCNc1ccc(C)cc1[N+](=O)[O-] ZINC000819093492 704068980 /nfs/dbraw/zinc/06/89/80/704068980.db2.gz RNFXWBKUJLHIEK-UHFFFAOYSA-N 1 0 324.381 1.705 20 5 DDBDRO CCOC(=O)N1CC[C@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000819240037 704092740 /nfs/dbraw/zinc/09/27/40/704092740.db2.gz ZBCJQGUZDWSKED-JSGCOSHPSA-N 1 0 323.349 1.449 20 5 DDBDRO O=C(CC[NH2+][C@@H]1CCn2ccnc21)Nc1ccccc1[N+](=O)[O-] ZINC000819337357 704109706 /nfs/dbraw/zinc/10/97/06/704109706.db2.gz ODLBGJSTPIFNFO-GFCCVEGCSA-N 1 0 315.333 1.855 20 5 DDBDRO COC(=O)NC1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000852767466 704119065 /nfs/dbraw/zinc/11/90/65/704119065.db2.gz TUZMJKASHJARND-AWEZNQCLSA-N 1 0 323.349 1.449 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CN(C)CCO1 ZINC000819998988 704200034 /nfs/dbraw/zinc/20/00/34/704200034.db2.gz MCSBNDGSJRIWBQ-ZDUSSCGKSA-N 1 0 309.322 1.263 20 5 DDBDRO C[N@@H+]1CCN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CCC1(C)C ZINC000871157339 704233680 /nfs/dbraw/zinc/23/36/80/704233680.db2.gz LTKPCXCQNAHSMK-AWEZNQCLSA-N 1 0 321.377 1.571 20 5 DDBDRO Cc1nn(CN(C)CC2C[NH+](C)C2)c2ncc([N+](=O)[O-])cc12 ZINC000853553662 704267153 /nfs/dbraw/zinc/26/71/53/704267153.db2.gz RLGDQBYYCGYSGW-UHFFFAOYSA-N 1 0 304.354 1.099 20 5 DDBDRO Cc1nn(CN2CCO[C@@H](CCC[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000853624924 704288659 /nfs/dbraw/zinc/28/86/59/704288659.db2.gz MXKSRJGTFOOLGC-ZDUSSCGKSA-N 1 0 311.386 1.100 20 5 DDBDRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1ccc(N)c([N+](=O)[O-])c1)C2 ZINC000854736990 704446182 /nfs/dbraw/zinc/44/61/82/704446182.db2.gz LYOMOEWBTJYUQY-INIZCTEOSA-N 1 0 318.377 1.735 20 5 DDBDRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000823125434 705147731 /nfs/dbraw/zinc/14/77/31/705147731.db2.gz YZZZIJNEVDBXNO-CYBMUJFWSA-N 1 0 315.414 1.391 20 5 DDBDRO COc1cc(C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3C)ccc1[N+](=O)[O-] ZINC000874840449 705195584 /nfs/dbraw/zinc/19/55/84/705195584.db2.gz OBJVCMICRZAPKI-QWHCGFSZSA-N 1 0 319.361 1.912 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCC[C@H](n3ccnn3)C2)cc1 ZINC000823468834 705250304 /nfs/dbraw/zinc/25/03/04/705250304.db2.gz LIBKLMXKOFIXLQ-LSDHHAIUSA-N 1 0 317.349 1.557 20 5 DDBDRO Nc1ccc(NC(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000824003000 705352600 /nfs/dbraw/zinc/35/26/00/705352600.db2.gz LCFJYEHIXOROSD-NWDGAFQWSA-N 1 0 319.365 1.925 20 5 DDBDRO COCC[N@@H+]1CCC[C@H]1COC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000861037749 705357698 /nfs/dbraw/zinc/35/76/98/705357698.db2.gz ILLOXQZQBHMTKN-LBPRGKRZSA-N 1 0 302.371 1.476 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N(C)CC[NH+]1CCCCC1 ZINC000824115136 705378438 /nfs/dbraw/zinc/37/84/38/705378438.db2.gz KOLSRXJXNVYTIB-UHFFFAOYSA-N 1 0 309.370 1.044 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)OCC23CCC[NH+](CCC2)C3)n1 ZINC000861360888 705446537 /nfs/dbraw/zinc/44/65/37/705446537.db2.gz KTLIOVFMTMPXFE-UHFFFAOYSA-N 1 0 322.365 1.844 20 5 DDBDRO C[C@](CO)(NC(=O)C[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000825257628 705634394 /nfs/dbraw/zinc/63/43/94/705634394.db2.gz DDYBPLCLMNQARV-OAHLLOKOSA-N 1 0 307.350 1.014 20 5 DDBDRO [NH3+]CCN(Cc1cnn2c1CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000825903667 705743709 /nfs/dbraw/zinc/74/37/09/705743709.db2.gz NZZHVKNJUDITPQ-UHFFFAOYSA-N 1 0 301.350 1.703 20 5 DDBDRO Cc1nn(C[N@@H+](C)CC2(C)COC2)c2ncc([N+](=O)[O-])cc12 ZINC000863296846 705893969 /nfs/dbraw/zinc/89/39/69/705893969.db2.gz QHKLQDVKZIWWIO-UHFFFAOYSA-N 1 0 305.338 1.574 20 5 DDBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000827137222 705938005 /nfs/dbraw/zinc/93/80/05/705938005.db2.gz VHAHOYQPYMMQOU-RBSFLKMASA-N 1 0 303.362 1.909 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](O)c3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000827244433 705958913 /nfs/dbraw/zinc/95/89/13/705958913.db2.gz AKXCSFVTEVAQMZ-SNPRPXQTSA-N 1 0 319.361 1.181 20 5 DDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]CCCO[C@H]3CCOC3)C2)c1 ZINC000877086781 705979352 /nfs/dbraw/zinc/97/93/52/705979352.db2.gz AVCPFFDDWNOGDI-YIZWMMSDSA-N 1 0 310.354 1.280 20 5 DDBDRO C[C@H]([NH3+])CN(C)C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000877101841 705983927 /nfs/dbraw/zinc/98/39/27/705983927.db2.gz SGRFLFQKGGFPAG-VIFPVBQESA-N 1 0 315.757 1.823 20 5 DDBDRO COc1ccc(C(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000827375174 705989243 /nfs/dbraw/zinc/98/92/43/705989243.db2.gz TYKVNXYNKGPWBD-OLZOCXBDSA-N 1 0 319.361 1.770 20 5 DDBDRO [NH3+]CC12CCC(CC1)N2C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000877193222 706012854 /nfs/dbraw/zinc/01/28/54/706012854.db2.gz YHDDAUFBBQNDAL-UHFFFAOYSA-N 1 0 305.334 1.456 20 5 DDBDRO CC(C)[C@H]1CN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000827490926 706012986 /nfs/dbraw/zinc/01/29/86/706012986.db2.gz JHPDJJNHUFAHQB-CABCVRRESA-N 1 0 321.377 1.427 20 5 DDBDRO C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000877241475 706030320 /nfs/dbraw/zinc/03/03/20/706030320.db2.gz RHGYCVVXSFJHSN-LSMGEYOZSA-N 1 0 303.362 1.931 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H]1CCCCC12CC[NH2+]CC2 ZINC000877406186 706098641 /nfs/dbraw/zinc/09/86/41/706098641.db2.gz RXTVBIUAVHBVMZ-AWEZNQCLSA-N 1 0 320.393 1.976 20 5 DDBDRO O=C1NCCC12CC[NH+](Cc1ccc([N+](=O)[O-])cc1F)CC2 ZINC000877782925 706209991 /nfs/dbraw/zinc/20/99/91/706209991.db2.gz VFVGDAQFLSEBMQ-UHFFFAOYSA-N 1 0 307.325 1.836 20 5 DDBDRO CC[N@@H+]1CC[C@@H](CNC(=O)Cc2cccc(F)c2[N+](=O)[O-])C1 ZINC000864963338 706313686 /nfs/dbraw/zinc/31/36/86/706313686.db2.gz USCOMQGAUKLGRB-NSHDSACASA-N 1 0 309.341 1.734 20 5 DDBDRO O=[N+]([O-])c1ccc(F)cc1CN1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC000880071304 706870153 /nfs/dbraw/zinc/87/01/53/706870153.db2.gz XAFQIOXIQVTTNZ-UONOGXRCSA-N 1 0 309.341 1.375 20 5 DDBDRO CC[NH2+]CCCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C ZINC000832378874 706900643 /nfs/dbraw/zinc/90/06/43/706900643.db2.gz ZIHXOJGWRUGLPM-UHFFFAOYSA-N 1 0 310.310 1.541 20 5 DDBDRO COC(=O)[C@]12CCC[C@H]1[N@H+](CCn1ccc([N+](=O)[O-])n1)CC2 ZINC000880180763 706903204 /nfs/dbraw/zinc/90/32/04/706903204.db2.gz CLEOHGQEDYDCEM-RISCZKNCSA-N 1 0 308.338 1.209 20 5 DDBDRO O=[N+]([O-])c1ccn(CCN2CCC[C@@H]([NH2+]C3CCOCC3)C2)n1 ZINC000880208310 706910582 /nfs/dbraw/zinc/91/05/82/706910582.db2.gz QQASIILRYNIWGD-CQSZACIVSA-N 1 0 323.397 1.024 20 5 DDBDRO CC(C)C[C@@H](C(N)=O)[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000880587541 707029233 /nfs/dbraw/zinc/02/92/33/707029233.db2.gz GWQPYVHWISYZHE-AWEZNQCLSA-N 1 0 309.366 1.805 20 5 DDBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@@H](O)C[NH+](C)C ZINC000872032919 707283301 /nfs/dbraw/zinc/28/33/01/707283301.db2.gz BZTVZOTXOXNEIV-ZYHUDNBSSA-N 1 0 313.423 1.890 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[NH2+]CCC1(C)C ZINC000872294693 707368943 /nfs/dbraw/zinc/36/89/43/707368943.db2.gz WWAPOJWWCNWDJF-UHFFFAOYSA-N 1 0 309.370 1.090 20 5 DDBDRO COCCN(CC1CC[NH+](C)CC1)Cn1cc([N+](=O)[O-])cn1 ZINC000872631857 707524117 /nfs/dbraw/zinc/52/41/17/707524117.db2.gz KLEHSILWENDMSH-UHFFFAOYSA-N 1 0 311.386 1.039 20 5 DDBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000882484577 707655301 /nfs/dbraw/zinc/65/53/01/707655301.db2.gz HLJRZXVTMUKJNQ-LLVKDONJSA-N 1 0 302.334 1.900 20 5 DDBDRO COCCC1(NCc2ccc([N+](=O)[O-])cc2F)CC[NH2+]CC1 ZINC000873225173 707775563 /nfs/dbraw/zinc/77/55/63/707775563.db2.gz SCYNXRQQPNIPBQ-UHFFFAOYSA-N 1 0 311.357 1.982 20 5 DDBDRO COc1cc(C[NH2+][C@@H](CO)CC(F)F)c([N+](=O)[O-])cc1OC ZINC000883104432 707927917 /nfs/dbraw/zinc/92/79/17/707927917.db2.gz ZKFCDMZKCHBXNJ-SECBINFHSA-N 1 0 320.292 1.718 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2C[NH2+]CCCO2)c1C ZINC000884302604 708233595 /nfs/dbraw/zinc/23/35/95/708233595.db2.gz UUZPHWNYAISYDZ-LBPRGKRZSA-N 1 0 307.350 1.320 20 5 DDBDRO COc1ccc2ncc([N+](=O)[O-])c(NC[C@H](C)[NH+](C)C)c2c1 ZINC000884521955 708320587 /nfs/dbraw/zinc/32/05/87/708320587.db2.gz LDEHHOGIQDOSCQ-JTQLQIEISA-N 1 0 304.350 1.936 20 5 DDBDRO C[C@@H]1C[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000897683207 708418739 /nfs/dbraw/zinc/41/87/39/708418739.db2.gz ATSMIWYWIBSXOU-ABAIWWIYSA-N 1 0 316.361 1.808 20 5 DDBDRO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N(C)CC[N@H+](C)CCO ZINC000912605533 713044929 /nfs/dbraw/zinc/04/49/29/713044929.db2.gz YTUDVBNAGZEWGA-SEYXRHQNSA-N 1 0 321.377 1.381 20 5 DDBDRO COC(=O)[C@@H]1CC[C@@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000886547424 708776045 /nfs/dbraw/zinc/77/60/45/708776045.db2.gz LBXULYKNZQATSE-VXGBXAGGSA-N 1 0 308.334 1.905 20 5 DDBDRO C[NH+](C)[C@@H]1C[C@@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)C12CCC2 ZINC000898842740 708886837 /nfs/dbraw/zinc/88/68/37/708886837.db2.gz XQIYKDKPSNIHRX-CHWSQXEVSA-N 1 0 321.381 1.170 20 5 DDBDRO O=[N+]([O-])c1cc(F)ccc1-c1cnc(N2CC[NH2+]CC2)cn1 ZINC000899324033 709058539 /nfs/dbraw/zinc/05/85/39/709058539.db2.gz TZOWFUCIVSMFAJ-UHFFFAOYSA-N 1 0 303.297 1.601 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(C(=O)NCC[N@H+](C)CCO)cc1Cl ZINC000899738862 709184690 /nfs/dbraw/zinc/18/46/90/709184690.db2.gz OJOQWQQPIDYBNL-UHFFFAOYSA-N 1 0 315.757 1.211 20 5 DDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000900159755 709310997 /nfs/dbraw/zinc/31/09/97/709310997.db2.gz PVFIATGNZBNBEY-DOMZBBRYSA-N 1 0 307.350 1.008 20 5 DDBDRO C[C@@H](NC(=O)C[C@]1(O)CCC[N@H+](C)C1)c1ccccc1[N+](=O)[O-] ZINC000901328965 710011655 /nfs/dbraw/zinc/01/16/55/710011655.db2.gz JVNSWJRBOHIIPU-MLGOLLRUSA-N 1 0 321.377 1.619 20 5 DDBDRO Cc1ccc(CNC(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)cc1[N+](=O)[O-] ZINC000892537003 710454128 /nfs/dbraw/zinc/45/41/28/710454128.db2.gz NGVMIBAZAACRJT-UONOGXRCSA-N 1 0 318.377 1.939 20 5 DDBDRO COc1cc([N+](=O)[O-])cnc1N1CC[C@@H](CN2CCOCC2)C1 ZINC000892678985 710480588 /nfs/dbraw/zinc/48/05/88/710480588.db2.gz AQCNVRMTYARDIT-LBPRGKRZSA-N 1 0 322.365 1.157 20 5 DDBDRO C[C@]1(NC(=O)c2cc([N+](=O)[O-])ccc2F)C[NH+]2CCC1CC2 ZINC000892788584 710498597 /nfs/dbraw/zinc/49/85/97/710498597.db2.gz JJUQZUNFASVBCJ-HNNXBMFYSA-N 1 0 307.325 1.948 20 5 DDBDRO C[C@H]1C[N@H+](CCCOC(=O)c2ccc([N+](=O)[O-])n2C)CCO1 ZINC000893392420 710633895 /nfs/dbraw/zinc/63/38/95/710633895.db2.gz RULUGCJNNJPIOM-NSHDSACASA-N 1 0 311.338 1.201 20 5 DDBDRO C[C@@H]1[C@H](NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC[N@@H+]1C ZINC000928441883 713197460 /nfs/dbraw/zinc/19/74/60/713197460.db2.gz PTMZBRMUWIOEHC-QMTHXVAHSA-N 1 0 316.361 1.827 20 5 DDBDRO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)CCN1c1cc[nH+]cc1 ZINC000893446889 710658324 /nfs/dbraw/zinc/65/83/24/710658324.db2.gz BATOSPCRWMXOSR-NSHDSACASA-N 1 0 316.317 1.934 20 5 DDBDRO COc1cc(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000928457576 713205434 /nfs/dbraw/zinc/20/54/34/713205434.db2.gz XJIMFBWRCBCTSG-KOLCDFICSA-N 1 0 323.349 1.434 20 5 DDBDRO C[C@@H]1[C@@H](NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CC[N@@H+]1C ZINC000928459992 713206310 /nfs/dbraw/zinc/20/63/10/713206310.db2.gz YYGSZSDOSAXUHI-MFKMUULPSA-N 1 0 317.349 1.153 20 5 DDBDRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)Nc3ccc([N+](=O)[O-])cc3F)C[C@H]21 ZINC000902810248 710911117 /nfs/dbraw/zinc/91/11/17/710911117.db2.gz REAOQITUJJXXMQ-IWIIMEHWSA-N 1 0 308.313 1.758 20 5 DDBDRO Cn1c2ccccc2c(N2CC[N@@H+]3CC[C@H]2C3)c([N+](=O)[O-])c1=O ZINC000894024412 710932811 /nfs/dbraw/zinc/93/28/11/710932811.db2.gz YFWWETQRGNZUKY-NSHDSACASA-N 1 0 314.345 1.341 20 5 DDBDRO CN(C(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2)[C@H]1CC[NH2+]C1 ZINC000911783478 710985123 /nfs/dbraw/zinc/98/51/23/710985123.db2.gz UVEFXYACEMCOOT-JTQLQIEISA-N 1 0 321.333 1.190 20 5 DDBDRO C[C@H]1CN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000911822535 711014726 /nfs/dbraw/zinc/01/47/26/711014726.db2.gz WQKJTILXCFPHDY-GWCFXTLKSA-N 1 0 309.341 1.862 20 5 DDBDRO COc1cc([C@H](C)[NH2+]C[C@H]2CN(C)CCN2C)cc([N+](=O)[O-])c1 ZINC000903091854 711029728 /nfs/dbraw/zinc/02/97/28/711029728.db2.gz BMJJVKYGMXKSJU-WFASDCNBSA-N 1 0 322.409 1.500 20 5 DDBDRO COc1cc([C@@H](C)[NH2+]CCN2CCCC2=O)cc([N+](=O)[O-])c1 ZINC000903193082 711060210 /nfs/dbraw/zinc/06/02/10/711060210.db2.gz CCYLYXDLJHJXHW-LLVKDONJSA-N 1 0 307.350 1.876 20 5 DDBDRO C[NH+]1CCC(N(CCO)C(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000911934651 711075591 /nfs/dbraw/zinc/07/55/91/711075591.db2.gz JZQZLEMRZZIMTM-UHFFFAOYSA-N 1 0 313.379 1.185 20 5 DDBDRO CCC1([NH+]2CCOCC2)CCN(c2c([N+](=O)[O-])cnn2C)CC1 ZINC000894809082 711279976 /nfs/dbraw/zinc/27/99/76/711279976.db2.gz SFBSOPVHYWQQOH-UHFFFAOYSA-N 1 0 323.397 1.410 20 5 DDBDRO C[C@@H](CNC(=O)N[C@@H](C)C[NH+](C)C)c1ccccc1[N+](=O)[O-] ZINC000894843023 711293681 /nfs/dbraw/zinc/29/36/81/711293681.db2.gz HOQPVFYCVCQXPN-RYUDHWBXSA-N 1 0 308.382 1.948 20 5 DDBDRO CN1CCN(c2c3cc(F)ccc3ncc2[N+](=O)[O-])C[C@@H]1CO ZINC000894881984 711307180 /nfs/dbraw/zinc/30/71/80/711307180.db2.gz QCRFMVXEHAZYFD-LLVKDONJSA-N 1 0 320.324 1.395 20 5 DDBDRO COc1c(O)ccc(CN2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000895844011 711623496 /nfs/dbraw/zinc/62/34/96/711623496.db2.gz QUPOVPYPHJETEN-WCQYABFASA-N 1 0 321.377 1.835 20 5 DDBDRO C[C@H]1[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCN1C ZINC000896555084 711750002 /nfs/dbraw/zinc/75/00/02/711750002.db2.gz YAUGWCQSIHOSGP-WFASDCNBSA-N 1 0 319.409 1.641 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CCc1ccns1 ZINC000905418019 712032658 /nfs/dbraw/zinc/03/26/58/712032658.db2.gz PBAXRMZDNVTSHD-NSHDSACASA-N 1 0 323.374 1.623 20 5 DDBDRO C[C@@H](C[NH2+]C[C@H](O)Cn1cccn1)c1ccccc1[N+](=O)[O-] ZINC000905643422 712104913 /nfs/dbraw/zinc/10/49/13/712104913.db2.gz LUNUJHHLGGLWIK-STQMWFEESA-N 1 0 304.350 1.546 20 5 DDBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC000908052258 712672188 /nfs/dbraw/zinc/67/21/88/712672188.db2.gz CAOPPTACMUFTSA-HOCLYGCPSA-N 1 0 321.377 1.051 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000908267256 712724660 /nfs/dbraw/zinc/72/46/60/712724660.db2.gz FAPHVWNZWJAPDE-INIZCTEOSA-N 1 0 321.377 1.997 20 5 DDBDRO O=[N+]([O-])c1ccccc1N1CCN(CC[NH+]2CCCC2)CC1 ZINC000917095578 713482061 /nfs/dbraw/zinc/48/20/61/713482061.db2.gz MWZTYFSMLXSSCF-UHFFFAOYSA-N 1 0 304.394 1.813 20 5 DDBDRO O=[N+]([O-])CC[NH+]1CCC(n2cc(Br)cn2)CC1 ZINC000929615033 713651769 /nfs/dbraw/zinc/65/17/69/713651769.db2.gz UACSNQXFFDLHLS-UHFFFAOYSA-N 1 0 303.160 1.559 20 5 DDBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000931044512 713989593 /nfs/dbraw/zinc/98/95/93/713989593.db2.gz NNODNCYMAIEMTG-WFASDCNBSA-N 1 0 320.393 1.948 20 5 DDBDRO Cn1nnc2c1C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)CC2 ZINC000922994823 714207376 /nfs/dbraw/zinc/20/73/76/714207376.db2.gz SQTVJXUTSAYQAW-SNVBAGLBSA-N 1 0 305.313 1.510 20 5 DDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2C[C@H](O)C23CCOCC3)c(F)c1 ZINC000923018828 714215212 /nfs/dbraw/zinc/21/52/12/714215212.db2.gz IUXDKDOHASZISH-KBPBESRZSA-N 1 0 310.325 1.754 20 5 DDBDRO C[C@@]1([C@@H]2CCC[N@H+](Cc3cccnc3[N+](=O)[O-])C2)COC(=O)N1 ZINC000932016806 714236260 /nfs/dbraw/zinc/23/62/60/714236260.db2.gz PLDAUXNTJOCUFG-DOMZBBRYSA-N 1 0 320.349 1.700 20 5 DDBDRO C[C@@H]1CN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@H](C)C[NH2+]1 ZINC000923361534 714327656 /nfs/dbraw/zinc/32/76/56/714327656.db2.gz MCGBRDHTVHBLFL-BZPMIXESSA-N 1 0 309.366 1.017 20 5 DDBDRO O=[N+]([O-])c1cc(Cl)ccc1CN1CCC[C@@H]([NH2+]CCO)C1 ZINC000923407558 714345641 /nfs/dbraw/zinc/34/56/41/714345641.db2.gz NYMABXPKCLEENS-CYBMUJFWSA-N 1 0 313.785 1.795 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(O)(C2CCC2)CC1 ZINC000932813087 714418272 /nfs/dbraw/zinc/41/82/72/714418272.db2.gz BUQAUQOKAHMGDF-UHFFFAOYSA-N 1 0 308.382 1.727 20 5 DDBDRO C[N@@H+]1C[C@@H]2CN(C[C@@H](O)c3ccc([N+](=O)[O-])cc3)C[C@]2(C)C1 ZINC000933737202 714659383 /nfs/dbraw/zinc/65/93/83/714659383.db2.gz LYMSKPTXQGSOJR-BMFZPTHFSA-N 1 0 305.378 1.512 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H]2CCC[C@]2(C(N)=O)C1 ZINC000933749724 714662963 /nfs/dbraw/zinc/66/29/63/714662963.db2.gz FWCJIWXQLOTYKU-LRDDRELGSA-N 1 0 319.361 1.691 20 5 DDBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)Cn2c(C)ncc2[N+](=O)[O-])C1 ZINC000933771570 714669023 /nfs/dbraw/zinc/66/90/23/714669023.db2.gz SVEISFAQAWWMMF-ZDUSSCGKSA-N 1 0 323.397 1.290 20 5 DDBDRO C[N@@H+]1C[C@@H](O)C[C@H]1CNC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000924981043 714714615 /nfs/dbraw/zinc/71/46/15/714714615.db2.gz VICCXHNABMJEMI-IUCAKERBSA-N 1 0 313.741 1.043 20 5 DDBDRO O=C1NCC2(CCOCC2)[C@H]1[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000925642424 714905878 /nfs/dbraw/zinc/90/58/78/714905878.db2.gz SKKFWKZRNIJBKM-AWEZNQCLSA-N 1 0 319.361 1.022 20 5 DDBDRO C[N@@H+]1CCO[C@H]2CN(c3ncnc4cccc([N+](=O)[O-])c43)C[C@H]21 ZINC000347409208 719475499 /nfs/dbraw/zinc/47/54/99/719475499.db2.gz GYAWUDBSYJFAFF-OLZOCXBDSA-N 1 0 315.333 1.057 20 5 DDBDRO O=[N+]([O-])c1c[nH]c2ncnc(NCC[NH+]3CCSCC3)c12 ZINC001167835351 738990653 /nfs/dbraw/zinc/99/06/53/738990653.db2.gz TVKRJZLNSZUREL-UHFFFAOYSA-N 1 0 308.367 1.278 20 5 DDBDRO [NH3+][C@H]1CN(c2ccc3ccc4ccc(Cl)nc4c3n2)C[C@H]1O ZINC001167088947 732551698 /nfs/dbraw/zinc/55/16/98/732551698.db2.gz JGAXFBDDORRQBM-NWDGAFQWSA-N 1 0 314.776 1.945 20 5 DDBDRO C[NH2+]Cc1c(C)nn(-c2nc(Cl)nc(C)c2[N+](=O)[O-])c1C ZINC001167098410 732601855 /nfs/dbraw/zinc/60/18/55/732601855.db2.gz NXFUPCHHNDMGQR-UHFFFAOYSA-N 1 0 310.745 1.869 20 5 DDBDRO CC(F)(F)C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001021768514 733530827 /nfs/dbraw/zinc/53/08/27/733530827.db2.gz ASCIGKDFTZHXON-PHIMTYICSA-N 1 0 313.304 1.987 20 5 DDBDRO Cc1ccc(F)cc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001022063746 734368358 /nfs/dbraw/zinc/36/83/58/734368358.db2.gz KZZLGVFRTIMCRF-LXTVHRRPSA-N 1 0 321.352 1.536 20 5 DDBDRO Cc1c(-n2ccc(C[NH3+])cc2=N)ccc([N+](=O)[O-])c1[N+](=O)[O-] ZINC001167689511 735979290 /nfs/dbraw/zinc/97/92/90/735979290.db2.gz IZMHYZQGMAYHJR-UHFFFAOYSA-N 1 0 303.278 1.540 20 5 DDBDRO CCc1nc(C(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)co1 ZINC001126062545 738217777 /nfs/dbraw/zinc/21/77/77/738217777.db2.gz ZLRACNARCIVIRM-UHFFFAOYSA-N 1 0 324.362 1.726 20 5 DDBDRO Cc1ccnc(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)n1 ZINC001126468407 740281490 /nfs/dbraw/zinc/28/14/90/740281490.db2.gz USAFOWBCOLAHEF-UHFFFAOYSA-N 1 0 315.333 1.213 20 5 DDBDRO O=C(CC1(O)CCC1)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001126842847 742359103 /nfs/dbraw/zinc/35/91/03/742359103.db2.gz SCIVIYJWXNFRSJ-UHFFFAOYSA-N 1 0 313.379 1.167 20 5 DDBDRO Cc1nccc(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)n1 ZINC001151306855 743785399 /nfs/dbraw/zinc/78/53/99/743785399.db2.gz UYQKOJQLMQWUBV-UHFFFAOYSA-N 1 0 315.333 1.213 20 5 DDBDRO Cc1cccnc1[C@@H](C)[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC001198640497 747560118 /nfs/dbraw/zinc/56/01/18/747560118.db2.gz DIPKPHGZUVWYEO-GFCCVEGCSA-N 1 0 302.334 1.811 20 5 DDBDRO COc1nc(-n2cnc3ccc(C[NH3+])cc32)nc(C)c1[N+](=O)[O-] ZINC001168841336 762065358 /nfs/dbraw/zinc/06/53/58/762065358.db2.gz SLGLQZWRPCUSEC-UHFFFAOYSA-N 1 0 314.305 1.499 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(-n2cc3c(n2)CC[C@H]([NH3+])C3)c1 ZINC001168819214 762070010 /nfs/dbraw/zinc/07/00/10/762070010.db2.gz WOKDDTGGHGDZCO-NSHDSACASA-N 1 0 316.317 1.383 20 5 DDBDRO COc1ccc(OC)c(C(=O)C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001168959411 762155120 /nfs/dbraw/zinc/15/51/20/762155120.db2.gz VRRYJOJCFPBUAR-VXGBXAGGSA-N 1 0 322.361 1.922 20 5 DDBDRO C[NH+](C)C[C@H]1Cn2ccnc2CN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169021796 762201055 /nfs/dbraw/zinc/20/10/55/762201055.db2.gz QQBPWGMYTYQJOU-QLFBSQMISA-N 1 0 321.425 1.322 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCC[C@@H](Oc3cnccn3)C2)C1 ZINC001169053886 762208635 /nfs/dbraw/zinc/20/86/35/762208635.db2.gz JYLIBIAEYKRAEZ-HZSPNIEDSA-N 1 0 306.366 1.765 20 5 DDBDRO COc1cnc(N2CC[NH+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)nc1 ZINC001169057684 762210762 /nfs/dbraw/zinc/21/07/62/762210762.db2.gz XAHYSNAJCRYHDG-QWHCGFSZSA-N 1 0 321.381 1.053 20 5 DDBDRO CC[N@H+](C)CCC(=O)N[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC001097212504 756983260 /nfs/dbraw/zinc/98/32/60/756983260.db2.gz WKJZZBQHOXBNQM-TXEJJXNPSA-N 1 0 321.381 1.391 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC([NH+]2CCC2)CC1 ZINC000827911073 759407398 /nfs/dbraw/zinc/40/73/98/759407398.db2.gz ARDCKPVXGCTXJM-UHFFFAOYSA-N 1 0 321.381 1.187 20 5 DDBDRO Cc1cccnc1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001086083267 760943543 /nfs/dbraw/zinc/94/35/43/760943543.db2.gz SKERJJLRJIQMCE-QVHKTLOISA-N 1 0 318.377 1.040 20 5 DDBDRO C[C@H](Nc1ncnc2sc([N+](=O)[O-])cc21)[C@@H]1C[NH2+]CCO1 ZINC001170570923 768192396 /nfs/dbraw/zinc/19/23/96/768192396.db2.gz OLUSDMDTPCGNAC-CBAPKCEASA-N 1 0 309.351 1.388 20 5 DDBDRO COc1ccc(C[C@H](C)[NH2+]C2(C(N)=O)CCCC2)c([N+](=O)[O-])c1 ZINC001170310477 766243570 /nfs/dbraw/zinc/24/35/70/766243570.db2.gz WQILZKZRVTXGNX-NSHDSACASA-N 1 0 321.377 1.922 20 5 DDBDRO COc1ccc(C[C@H](C)[NH2+][C@H]2[C@H](O)CCC[C@@H]2O)c([N+](=O)[O-])c1 ZINC001170326855 766253119 /nfs/dbraw/zinc/25/31/19/766253119.db2.gz BXTXOHAJOADDBW-MZORAGNBSA-N 1 0 324.377 1.398 20 5 DDBDRO COc1ccc(C[C@@H](C)[N@@H+]2CCOC[C@H](O)C2)c([N+](=O)[O-])c1 ZINC001170334098 766256932 /nfs/dbraw/zinc/25/69/32/766256932.db2.gz BLDCXUKLPVYLEM-DGCLKSJQSA-N 1 0 310.350 1.228 20 5 DDBDRO COc1ccc(C[C@H](C)[NH2+][C@@H]2CCNC(=O)C2)c([N+](=O)[O-])c1 ZINC001170309401 766259550 /nfs/dbraw/zinc/25/95/50/766259550.db2.gz QGVCKRWBLQTFCB-CMPLNLGQSA-N 1 0 307.350 1.403 20 5 DDBDRO COc1c([N+](=O)[O-])cc(Cl)c(C)c1N[C@H]1C[NH2+]C[C@H]1CO ZINC001170781153 771244187 /nfs/dbraw/zinc/24/41/87/771244187.db2.gz JCLLBADHDXEQQR-WPRPVWTQSA-N 1 0 315.757 1.557 20 5 DDBDRO Cc1c[n+]([O-])c(N2c3ccccc3OC[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC001171390057 774340469 /nfs/dbraw/zinc/34/04/69/774340469.db2.gz RGUQVQGGIHPDMX-LLVKDONJSA-N 1 0 316.317 1.394 20 5 DDBDRO CC[N@H+](C)CCC(=O)NCCNc1ccc(F)cc1[N+](=O)[O-] ZINC001093840783 775125906 /nfs/dbraw/zinc/12/59/06/775125906.db2.gz WIYMGTUERQWWBZ-UHFFFAOYSA-N 1 0 312.345 1.604 20 5 DDBDRO CCC[N@H+](C)CC(=O)NCCCNc1cc(C)c([N+](=O)[O-])cn1 ZINC001094517194 775972629 /nfs/dbraw/zinc/97/26/29/775972629.db2.gz FJTBBOHEPZBSSC-UHFFFAOYSA-N 1 0 323.397 1.558 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C2(C(N)=O)CC2)c1F ZINC001173176040 777033951 /nfs/dbraw/zinc/03/39/51/777033951.db2.gz FTACPXBKRGQOPS-QMMMGPOBSA-N 1 0 311.313 1.281 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@H]2CNC(=O)C2)c1F ZINC001173193733 777037730 /nfs/dbraw/zinc/03/77/30/777037730.db2.gz WNERCXYGXCGZHM-DTWKUNHWSA-N 1 0 311.313 1.152 20 5 DDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H]2[C@H](C1)OCCN2C ZINC001173220965 777053395 /nfs/dbraw/zinc/05/33/95/777053395.db2.gz DTOUANAQJFLNGQ-MAZHCROVSA-N 1 0 305.378 1.541 20 5 DDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@](C)(CO)[C@@H](O)C1 ZINC001173223388 777057087 /nfs/dbraw/zinc/05/70/87/777057087.db2.gz ZNSRRHMZRJZCMO-KCXAZCMYSA-N 1 0 308.378 1.591 20 5 DDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCCS(C)(=O)=O ZINC001173212595 777067500 /nfs/dbraw/zinc/06/75/00/777067500.db2.gz BGODVPSTBOMCNJ-NSHDSACASA-N 1 0 300.380 1.550 20 5 DDBDRO C[NH+](C)CCC(=O)N1CCC(Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC001095247516 777314378 /nfs/dbraw/zinc/31/43/78/777314378.db2.gz MUMFAUNOQTXOKR-UHFFFAOYSA-N 1 0 320.393 1.949 20 5 DDBDRO CN(CCNc1ccc([N+](=O)[O-])cn1)C(=O)C1([NH+](C)C)CCC1 ZINC001101811124 777550933 /nfs/dbraw/zinc/55/09/33/777550933.db2.gz LQGYBWTWCLAREJ-UHFFFAOYSA-N 1 0 321.381 1.344 20 5 DDBDRO CCC1([NH3+])CCN(C(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC001119375227 781427139 /nfs/dbraw/zinc/42/71/39/781427139.db2.gz NKXRZEQZGSADLE-UHFFFAOYSA-N 1 0 307.350 1.704 20 5 DDBDRO CN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)CC(C)(C)O ZINC001267366593 837924210 /nfs/dbraw/zinc/92/42/10/837924210.db2.gz JMWQZVPFYNDFIJ-UHFFFAOYSA-N 1 0 309.366 1.304 20 5 DDBDRO CN(CC[NH2+]Cc1c([N+](=O)[O-])ncn1C)C(=O)C1CC2(CC2)C1 ZINC001267426105 838024244 /nfs/dbraw/zinc/02/42/44/838024244.db2.gz OYLKTGRVVIRLHR-UHFFFAOYSA-N 1 0 321.381 1.067 20 5 DDBDRO Cc1ccc(C[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c(C)n1 ZINC001269411442 841618495 /nfs/dbraw/zinc/61/84/95/841618495.db2.gz HMWVGSWWDRSVBC-ZIAGYGMSSA-N 1 0 318.377 1.102 20 5 DDBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N[C@H]2CCC[C@H]([NH3+])C2)n1 ZINC001154988910 861622202 /nfs/dbraw/zinc/62/22/02/861622202.db2.gz HRLAJIPECCDOAZ-UWVGGRQHSA-N 1 0 308.342 1.333 20 5 DDBDRO CC/C=C(\C)C(=O)NCCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001155293233 861938981 /nfs/dbraw/zinc/93/89/81/861938981.db2.gz ZELPUUMNQLALDZ-IZZDOVSWSA-N 1 0 309.370 1.281 20 5 DDBDRO [NH3+][C@H]1COC[C@H]1Nc1cc([N+](=O)[O-])cc2c(Cl)ncnc12 ZINC001155354194 861989518 /nfs/dbraw/zinc/98/95/18/861989518.db2.gz APJVJZLRGRXDMD-WCBMZHEXSA-N 1 0 309.713 1.329 20 5 DDBDRO O=[N+]([O-])c1cc(N[C@@H]2COCCC23C[NH2+]C3)nc2[nH]ccc21 ZINC001155468260 862118421 /nfs/dbraw/zinc/11/84/21/862118421.db2.gz KIXGCXLKIYICOI-LLVKDONJSA-N 1 0 303.322 1.262 20 5 DDBDRO COc1cnc(N[C@H]2CCO[C@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC001155623999 862307413 /nfs/dbraw/zinc/30/74/13/862307413.db2.gz UTKPXDCTTHWXPF-IINYFYTJSA-N 1 0 308.338 1.321 20 5 DDBDRO CCOCCC(=O)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001155644384 862333769 /nfs/dbraw/zinc/33/37/69/862333769.db2.gz UZHZUCTXKPVHJO-UHFFFAOYSA-N 1 0 309.366 1.617 20 5 DDBDRO [NH3+][C@@H]1CCN(c2nc(C(F)(F)F)nc(Cl)c2[N+](=O)[O-])C1 ZINC001156232036 862841855 /nfs/dbraw/zinc/84/18/55/862841855.db2.gz BATXNRBUHLRHHZ-SCSAIBSYSA-N 1 0 311.651 1.594 20 5 DDBDRO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001121939124 858640398 /nfs/dbraw/zinc/64/03/98/858640398.db2.gz ZYXSDKHFOCUETM-IDTSFGKNSA-N 1 0 303.362 1.907 20 5 DDBDRO O=C(NCC[C@H]1CSCC[NH2+]1)c1csc([N+](=O)[O-])c1 ZINC001122000984 858657803 /nfs/dbraw/zinc/65/78/03/858657803.db2.gz JCLNAEMMUDIAFY-VIFPVBQESA-N 1 0 301.393 1.481 20 5 DDBDRO [NH3+][C@@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])CC[C@H]1C(F)(F)F ZINC001122243861 858724378 /nfs/dbraw/zinc/72/43/78/858724378.db2.gz ZVINZEGSKRVRKY-NXEZZACHSA-N 1 0 317.267 1.947 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@@H+]2CC[C@H]1C2 ZINC001123419243 859227323 /nfs/dbraw/zinc/22/73/23/859227323.db2.gz UQABEAPBFVXGFJ-LBPRGKRZSA-N 1 0 320.349 1.915 20 5 DDBDRO Cc1ccc(NC(=O)[C@H]2C[N@H+]3CCN2C[C@H]3C)cc1[N+](=O)[O-] ZINC001123474142 859251144 /nfs/dbraw/zinc/25/11/44/859251144.db2.gz YRWUPTCNQVKGHP-BXUZGUMPSA-N 1 0 304.350 1.230 20 5 DDBDRO Cc1cc(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC001124229329 859640569 /nfs/dbraw/zinc/64/05/69/859640569.db2.gz NGPRHDIGBVSDLS-UHFFFAOYSA-N 1 0 303.322 1.146 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)OCCCCO[C@@H]1CCCCO1 ZINC001224906772 881583879 /nfs/dbraw/zinc/58/38/79/881583879.db2.gz AHJZKNOGPDZJBK-GDBMZVCRSA-N 1 0 318.434 1.310 20 5 DDBDRO O=c1onc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCC[NH2+]C1 ZINC001326018526 861044595 /nfs/dbraw/zinc/04/45/95/861044595.db2.gz NTLYQZOTTBJRSE-SNVBAGLBSA-N 1 0 304.306 1.411 20 5 DDBDRO Cn1cc(C(=O)NCCC[NH2+]Cc2csc([N+](=O)[O-])c2)cn1 ZINC001154510467 861159606 /nfs/dbraw/zinc/15/96/06/861159606.db2.gz XOOHTAHSRMNAAX-UHFFFAOYSA-N 1 0 323.378 1.300 20 5 DDBDRO COc1cc2ncnc(-n3ccnc3CC[NH3+])c2cc1[N+](=O)[O-] ZINC001156478981 863085265 /nfs/dbraw/zinc/08/52/65/863085265.db2.gz TTYAXIFCZQVSOB-UHFFFAOYSA-N 1 0 314.305 1.234 20 5 DDBDRO COC(=O)C1(Nc2cc(Cl)cc([N+](=O)[O-])n2)CC[NH2+]CC1 ZINC001156528892 863121934 /nfs/dbraw/zinc/12/19/34/863121934.db2.gz JGODOPRKPFGONO-UHFFFAOYSA-N 1 0 314.729 1.350 20 5 DDBDRO O=C(NCCC[NH2+]C1CC1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001328724746 863176820 /nfs/dbraw/zinc/17/68/20/863176820.db2.gz KOBMHVRPMPOLRM-UHFFFAOYSA-N 1 0 304.350 1.762 20 5 DDBDRO N=c1cc(C[NH3+])ccn1-c1ccc(-c2ccccc2[N+](=O)[O-])nn1 ZINC001156853500 863398784 /nfs/dbraw/zinc/39/87/84/863398784.db2.gz RIMPVQBAYKYUCF-UHFFFAOYSA-N 1 0 322.328 1.781 20 5 DDBDRO CCOC(=O)CN(CCC[NH3+])c1nc(C)cc(C)c1[N+](=O)[O-] ZINC001157549265 863912310 /nfs/dbraw/zinc/91/23/10/863912310.db2.gz QFFQZQPBWSRDHP-UHFFFAOYSA-N 1 0 310.354 1.325 20 5 DDBDRO CCC[N@H+]1C[C@H]2CN(c3ncnc(OC)c3[N+](=O)[O-])C[C@H]2C1 ZINC001157692632 864052441 /nfs/dbraw/zinc/05/24/41/864052441.db2.gz YBGGIPVTIAIDFB-PHIMTYICSA-N 1 0 307.354 1.171 20 5 DDBDRO COc1cc2ncnc(N3CC[C@@](F)(C[NH3+])C3)c2cc1[N+](=O)[O-] ZINC001157813026 864164321 /nfs/dbraw/zinc/16/43/21/864164321.db2.gz OCRUNZWLFJLAJF-CQSZACIVSA-N 1 0 321.312 1.424 20 5 DDBDRO Cc1nc(CC[NH3+])nn1-c1cc(C)c2cc([N+](=O)[O-])ccc2n1 ZINC001158129110 864447022 /nfs/dbraw/zinc/44/70/22/864447022.db2.gz OQIFUPZSPIHHDD-UHFFFAOYSA-N 1 0 312.333 1.842 20 5 DDBDRO C[N@@H+]1CCCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC001158366057 864606164 /nfs/dbraw/zinc/60/61/64/864606164.db2.gz VFNZCCVFZMSXAT-VIFPVBQESA-N 1 0 310.329 1.530 20 5 DDBDRO COc1nc(N2CC[N@H+](C)CC23CCCC3)ncc1[N+](=O)[O-] ZINC001158405317 864631554 /nfs/dbraw/zinc/63/15/54/864631554.db2.gz PKAQDJPIOVXZDX-UHFFFAOYSA-N 1 0 307.354 1.458 20 5 DDBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(NCC[C@H]2CCC[NH2+]2)n1 ZINC001158632220 864771476 /nfs/dbraw/zinc/77/14/76/864771476.db2.gz QHGLXOIKJWVGSB-SNVBAGLBSA-N 1 0 308.342 1.206 20 5 DDBDRO Cc1cc(N2C[C@H]([NH3+])C3(COC3)C2)nc2ccc([N+](=O)[O-])cc12 ZINC001158765011 864891069 /nfs/dbraw/zinc/89/10/69/864891069.db2.gz RFIFVQRZKRNITH-AWEZNQCLSA-N 1 0 314.345 1.615 20 5 DDBDRO CCOC(=O)c1ccnc(N2CC3(C2)CCC[NH2+]C3)c1[N+](=O)[O-] ZINC001159024738 865051228 /nfs/dbraw/zinc/05/12/28/865051228.db2.gz CVKXPBKWPMHHNM-UHFFFAOYSA-N 1 0 320.349 1.356 20 5 DDBDRO O=[N+]([O-])c1cc2c(Cl)ncnc2cc1NC[C@@H]1COCC[NH2+]1 ZINC001159042638 865067942 /nfs/dbraw/zinc/06/79/42/865067942.db2.gz IIHDBRPOQFDLMW-MRVPVSSYSA-N 1 0 323.740 1.592 20 5 DDBDRO CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNc2ncc([N+](=O)[O-])cc2F)O1 ZINC001159240356 865179691 /nfs/dbraw/zinc/17/96/91/865179691.db2.gz ORJVIQFHFMDGPX-NQBHXWOUSA-N 1 0 314.317 1.266 20 5 DDBDRO C[C@H](Nc1ncnc2cccc([N+](=O)[O-])c21)[C@@H]1C[NH2+]CCO1 ZINC001159502430 865360845 /nfs/dbraw/zinc/36/08/45/865360845.db2.gz MXEPXAAQTURTNR-CABZTGNLSA-N 1 0 303.322 1.327 20 5 DDBDRO CC[C@@]([NH3+])(CO)NC(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1 ZINC001159740092 865494225 /nfs/dbraw/zinc/49/42/25/865494225.db2.gz ZKHKPZKUDSGTEN-VIFPVBQESA-N 1 0 310.688 1.339 20 5 DDBDRO CCCC[NH2+]Cc1ccc(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c(F)c1 ZINC001333470435 866775255 /nfs/dbraw/zinc/77/52/55/866775255.db2.gz IOLZXCIZLLQBOZ-UKRRQHHQSA-N 1 0 323.368 1.997 20 5 DDBDRO C[C@@]12COC[C@H]1CN(Cn1c(=O)oc3cccc([N+](=O)[O-])c31)C2 ZINC001333720831 866962196 /nfs/dbraw/zinc/96/21/96/866962196.db2.gz CIRLVRIYLLHSCQ-MEBBXXQBSA-N 1 0 319.317 1.429 20 5 DDBDRO O=[N+]([O-])c1cc[n+]([O-])cc1NC[C@H]1CCC2(CC[NH2+]CC2)CO1 ZINC001162966694 867953847 /nfs/dbraw/zinc/95/38/47/867953847.db2.gz XBUBRQDZXFNCCB-GFCCVEGCSA-N 1 0 322.365 1.189 20 5 DDBDRO O=[N+]([O-])c1cnc(NCC[C@H]2C[NH2+]Cc3cccn3C2)cn1 ZINC001163061077 868046278 /nfs/dbraw/zinc/04/62/78/868046278.db2.gz RUJOTHQRIFKGGW-NSHDSACASA-N 1 0 302.338 1.408 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2COCCC23C[NH2+]C3)c1 ZINC001163080511 868064972 /nfs/dbraw/zinc/06/49/72/868064972.db2.gz HAYMFRRZCXRYPQ-CYBMUJFWSA-N 1 0 321.333 1.172 20 5 DDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC001322508681 868212048 /nfs/dbraw/zinc/21/20/48/868212048.db2.gz DSCBPRSDGRWPMN-BONVTDFDSA-N 1 0 318.377 1.849 20 5 DDBDRO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC001322735654 868354812 /nfs/dbraw/zinc/35/48/12/868354812.db2.gz DXRWRSORJXVRST-QWHCGFSZSA-N 1 0 324.356 1.919 20 5 DDBDRO COc1nc(SC)nc(N[C@@H](C)C[NH+](C)C)c1[N+](=O)[O-] ZINC001163772044 868691891 /nfs/dbraw/zinc/69/18/91/868691891.db2.gz IXCJKBHQMJBIPP-ZETCQYMHSA-N 1 0 301.372 1.477 20 5 DDBDRO O=[N+]([O-])c1cnc(N2CC3(C2)CC(F)(F)C3)nc1C1C[NH2+]C1 ZINC001163747799 868675229 /nfs/dbraw/zinc/67/52/29/868675229.db2.gz BIIOLWPNOMXVQQ-UHFFFAOYSA-N 1 0 311.292 1.307 20 5 DDBDRO C[NH+](C)C1CN(c2ccc(-c3ccc(F)c([N+](=O)[O-])c3)nn2)C1 ZINC001163942767 868814121 /nfs/dbraw/zinc/81/41/21/868814121.db2.gz OIRCUXGHPGNKMA-UHFFFAOYSA-N 1 0 317.324 1.941 20 5 DDBDRO O=C(NCCC1(C[NH2+]Cc2ccns2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001164494946 869234190 /nfs/dbraw/zinc/23/41/90/869234190.db2.gz YXNJPNKSRSPGLV-VXGBXAGGSA-N 1 0 324.406 1.184 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H]1[C@H]2CCC[NH2+][C@@H]2C1(C)C ZINC001336996108 869250431 /nfs/dbraw/zinc/25/04/31/869250431.db2.gz XTCIFBSXCILYPA-WCFLWFBJSA-N 1 0 306.366 1.440 20 5 DDBDRO COC(=O)Cc1ccc(O[C@@H](C)C[N+](C)(C)C)c([N+](=O)[O-])c1 ZINC001226215673 882283627 /nfs/dbraw/zinc/28/36/27/882283627.db2.gz CLJXUNMNHDFFQA-NSHDSACASA-N 1 0 311.358 1.784 20 5 DDBDRO C[NH2+][C@@H](C)C(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC001337068236 869303550 /nfs/dbraw/zinc/30/35/50/869303550.db2.gz DEDKSRQTWGTGFD-ZETCQYMHSA-N 1 0 316.155 1.581 20 5 DDBDRO COC(=O)c1ccc(NC(C)=O)cc1O[C@H](C)C[N+](C)(C)C ZINC001226233238 882296658 /nfs/dbraw/zinc/29/66/58/882296658.db2.gz RDUBTYMYHRUXQT-LLVKDONJSA-O 1 0 309.386 1.905 20 5 DDBDRO CN1CC[C@@H](Nc2ccc([N+](=O)[O-])c(OCC[NH+](C)C)c2)C1=O ZINC001166686560 870152531 /nfs/dbraw/zinc/15/25/31/870152531.db2.gz SIOOBCVQLQYQER-GFCCVEGCSA-N 1 0 322.365 1.178 20 5 DDBDRO CO[C@H](C)C(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001339065122 870327284 /nfs/dbraw/zinc/32/72/84/870327284.db2.gz DEMSXXOUPNZRDE-LLVKDONJSA-N 1 0 322.365 1.320 20 5 DDBDRO O=C(c1ccc2c(n1)C[NH2+]CC2)N1CCc2c1cccc2[N+](=O)[O-] ZINC001339940045 870796286 /nfs/dbraw/zinc/79/62/86/870796286.db2.gz RWEPLROORQASQU-UHFFFAOYSA-N 1 0 324.340 1.838 20 5 DDBDRO C[NH+](C)[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C1(C)C ZINC001306860776 871369180 /nfs/dbraw/zinc/36/91/80/871369180.db2.gz XVRQUYDZVWIVEY-GHMZBOCLSA-N 1 0 308.338 1.154 20 5 DDBDRO C[NH+](C)[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C1(C)C ZINC001306860779 871368802 /nfs/dbraw/zinc/36/88/02/871368802.db2.gz XVRQUYDZVWIVEY-WDEREUQCSA-N 1 0 308.338 1.154 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@H](Nc2ncccn2)C1 ZINC001308140451 871475620 /nfs/dbraw/zinc/47/56/20/871475620.db2.gz LCDBGDQCHLGHGC-LBPRGKRZSA-N 1 0 317.353 1.076 20 5 DDBDRO O=[N+]([O-])C[C@H](OCC[NH+]1CCCC1)c1ccc2c(c1)OCO2 ZINC001206309966 872199571 /nfs/dbraw/zinc/19/95/71/872199571.db2.gz YNERGEZEEIFRPQ-HNNXBMFYSA-N 1 0 308.334 1.846 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC3(CC2)C[NH2+]CCO3)c1 ZINC001342710420 872346871 /nfs/dbraw/zinc/34/68/71/872346871.db2.gz DTGQIIKGAUUPAC-UHFFFAOYSA-N 1 0 319.361 1.498 20 5 DDBDRO COCC[C@H]1C[NH2+]CCN1C(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC001342993436 872462988 /nfs/dbraw/zinc/46/29/88/872462988.db2.gz JIWJWHKULKUPFN-ZDUSSCGKSA-N 1 0 321.377 1.662 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@H]3CCCC[C@@H]3C2)c1 ZINC001319181582 872482766 /nfs/dbraw/zinc/48/27/66/872482766.db2.gz MKZCNYDJRIZNDQ-UMVBOHGHSA-N 1 0 308.382 1.664 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC001319297819 872550285 /nfs/dbraw/zinc/55/02/85/872550285.db2.gz DQSSYPVMVROHCN-LLVKDONJSA-N 1 0 321.381 1.752 20 5 DDBDRO C[C@@H]1CN(C(=O)COc2cccc([N+](=O)[O-])c2)CC[C@H]1C[NH3+] ZINC001345011688 873220110 /nfs/dbraw/zinc/22/01/10/873220110.db2.gz OCMNWNBGDNYXOG-NEPJUHHUSA-N 1 0 307.350 1.417 20 5 DDBDRO [NH3+]C[C@H]1CC[C@@H](NC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001345153435 873275872 /nfs/dbraw/zinc/27/58/72/873275872.db2.gz KPOLGOOLMBKKNK-GXFFZTMASA-N 1 0 304.350 1.747 20 5 DDBDRO COC[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001345645444 873465028 /nfs/dbraw/zinc/46/50/28/873465028.db2.gz DQYXOUNWUMMFSP-RRFJBIMHSA-N 1 0 319.361 1.145 20 5 DDBDRO CC[N@@H+]1CCN(c2nnc([C@H](C)[N+](=O)[O-])n2CC2CC2)C[C@@H]1C ZINC001348145018 874378348 /nfs/dbraw/zinc/37/83/48/874378348.db2.gz JLMLDVBFJILHMN-RYUDHWBXSA-N 1 0 322.413 1.556 20 5 DDBDRO C[NH+]1CC2(C1)CCN(C(=O)CCOc1ccccc1[N+](=O)[O-])C2 ZINC001350990692 876005000 /nfs/dbraw/zinc/00/50/00/876005000.db2.gz BYKFRHHAJHFDPM-UHFFFAOYSA-N 1 0 319.361 1.528 20 5 DDBDRO [NH3+]C[C@H](NC(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(F)(F)F ZINC000401715065 876672761 /nfs/dbraw/zinc/67/27/61/876672761.db2.gz AKOVKRHZMLSIET-QMMMGPOBSA-N 1 0 311.647 1.868 20 5 DDBDRO CCN(C(=O)CCNc1ccccc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC001353163334 877156183 /nfs/dbraw/zinc/15/61/83/877156183.db2.gz VHQCOCSQHPCAAM-GFCCVEGCSA-N 1 0 306.366 1.607 20 5 DDBDRO C[NH+](C)[C@@H]1CC[C@H]2CN(c3cc(N)c([N+](=O)[O-])cn3)C[C@H]2C1 ZINC001354280384 877854432 /nfs/dbraw/zinc/85/44/32/877854432.db2.gz VGPKIKCHQKOJOW-QJPTWQEYSA-N 1 0 305.382 1.739 20 5 DDBDRO COc1cc(C(=O)N2C[C@@H](C)[C@H](CC[NH3+])C2)ccc1[N+](=O)[O-] ZINC001354720372 878175401 /nfs/dbraw/zinc/17/54/01/878175401.db2.gz RLXKEKZZXBYEEV-ZYHUDNBSSA-N 1 0 307.350 1.660 20 5 DDBDRO CSc1ccc(C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1[N+](=O)[O-] ZINC001355093810 878421553 /nfs/dbraw/zinc/42/15/53/878421553.db2.gz IIVDEWDCDZJGNX-NWDGAFQWSA-N 1 0 321.402 1.998 20 5 DDBDRO C[C@]1(C[NH3+])CCN(C(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC001357463648 879980028 /nfs/dbraw/zinc/98/00/28/879980028.db2.gz MQGXUDTWGNZHRX-OFQRWUPVSA-N 1 0 303.362 1.896 20 5 DDBDRO COC(=O)[C@H](O[C@H](C)C[N+](C)(C)C)c1ccccc1[N+](=O)[O-] ZINC001223649684 881042203 /nfs/dbraw/zinc/04/22/03/881042203.db2.gz UTMWFVCOFRBBMX-BXUZGUMPSA-N 1 0 311.358 1.920 20 5 DDBDRO CC[N@@H+]1CC[C@H](OCc2cccc(C(=O)OC)c2[N+](=O)[O-])C1 ZINC001223664362 881050551 /nfs/dbraw/zinc/05/05/51/881050551.db2.gz HWHMBDNBECDDOJ-LBPRGKRZSA-N 1 0 308.334 1.992 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1CO[C@@H]1C[C@@H]2CC(=O)C[C@H]1[N@@H+]2C ZINC001223943266 881158328 /nfs/dbraw/zinc/15/83/28/881158328.db2.gz KOBMOMQBNOBZLL-JGGQBBKZSA-N 1 0 320.345 1.924 20 5 DDBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC001228662779 883604122 /nfs/dbraw/zinc/60/41/22/883604122.db2.gz BUEWRGPNUSMRTD-JTQLQIEISA-N 1 0 317.387 1.472 20 5 DDBDRO C[N@H+](CCCNC(=O)c1cn[nH]c1)Cc1ccc([N+](=O)[O-])cc1 ZINC001234368253 887910552 /nfs/dbraw/zinc/91/05/52/887910552.db2.gz BRDHZRZYYLHXOF-UHFFFAOYSA-N 1 0 317.349 1.570 20 5 DDBDRO C[C@H](C[N+](C)(C)C)Oc1nc2cc(S(C)(=O)=O)ccc2o1 ZINC001234580580 888115001 /nfs/dbraw/zinc/11/50/01/888115001.db2.gz GHXNGGZBQDTOGW-SNVBAGLBSA-N 1 0 313.399 1.705 20 5 DDBDRO O=C1CCNC[C@@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001246294005 892520982 /nfs/dbraw/zinc/52/09/82/892520982.db2.gz QLCZMPWJIRDCKF-HNNXBMFYSA-N 1 0 318.377 1.084 20 5 DDBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc(CC2CC[NH2+]CC2)n1 ZINC001247517006 893222775 /nfs/dbraw/zinc/22/27/75/893222775.db2.gz HTPGLHOFJJGPJL-UHFFFAOYSA-N 1 0 307.285 1.721 20 5 DDBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@]23CC[C@H]2C[NH2+]C3)n1 ZINC001247887215 893456645 /nfs/dbraw/zinc/45/66/45/893456645.db2.gz PNLBRRIKAPZJKZ-CPFSXVBKSA-N 1 0 305.269 1.430 20 5 DDBDRO C[NH+](C)[C@H]1CCCC[C@H]1Nc1ccc2ncc([N+](=O)[O-])n2n1 ZINC001253935913 896161368 /nfs/dbraw/zinc/16/13/68/896161368.db2.gz WRFCGDPPXVACTH-MNOVXSKESA-N 1 0 304.354 1.922 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]C1CCN(CCO)CC1)C2 ZINC001254576316 896511504 /nfs/dbraw/zinc/51/15/04/896511504.db2.gz VNCZGPWLZUZZEQ-OAHLLOKOSA-N 1 0 305.378 1.108 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]CCN1CCSCC1)C2 ZINC001254581737 896512989 /nfs/dbraw/zinc/51/29/89/896512989.db2.gz LVAXDNPULGNFMG-AWEZNQCLSA-N 1 0 307.419 1.700 20 5 DDBDRO NC(=O)[C@H]([NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC001254588623 896518323 /nfs/dbraw/zinc/51/83/23/896518323.db2.gz FYRPKFLLRUXCBF-GOEBONIOSA-N 1 0 311.341 1.878 20 5 DDBDRO CNC(=O)C1CC[NH+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254598481 896524110 /nfs/dbraw/zinc/52/41/10/896524110.db2.gz JWMKVFCSKHLWLW-HNNXBMFYSA-N 1 0 303.362 1.520 20 5 DDBDRO Nc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001293153072 914284811 /nfs/dbraw/zinc/28/48/11/914284811.db2.gz CJAWGHWNUDPRGH-ZDUSSCGKSA-N 1 0 318.377 1.877 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N(CC[NH3+])CC(F)(F)F ZINC001262038642 899908661 /nfs/dbraw/zinc/90/86/61/899908661.db2.gz UGEPOMZPFRLCKA-UHFFFAOYSA-N 1 0 305.256 1.866 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC001263213724 900536368 /nfs/dbraw/zinc/53/63/68/900536368.db2.gz BVXUMGVKVFGPBF-MNOVXSKESA-N 1 0 307.350 1.660 20 5 DDBDRO CC/C=C\CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@H]2C1 ZINC001279363796 903237074 /nfs/dbraw/zinc/23/70/74/903237074.db2.gz WJYMGNMLWXXJKS-OPCZEIQHSA-N 1 0 307.394 1.398 20 5 DDBDRO CCOCC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001283014706 906468984 /nfs/dbraw/zinc/46/89/84/906468984.db2.gz WDTQHGMVQOQWQE-HDJSIYSDSA-N 1 0 321.377 1.616 20 5 DDBDRO CCC1([NH+](C)C)CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC001307181260 915494507 /nfs/dbraw/zinc/49/45/07/915494507.db2.gz SWSSBXRNUJFAAN-UHFFFAOYSA-N 1 0 321.381 1.399 20 5 DDBDRO C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CC[NH2+]1 ZINC000278292927 214072000 /nfs/dbraw/zinc/07/20/00/214072000.db2.gz RELFDSQEVRTRLE-MNOVXSKESA-N 1 0 306.366 1.531 20 5 DDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@]2(CCO)CCOC2)c(Cl)c1 ZINC000278488832 214186082 /nfs/dbraw/zinc/18/60/82/214186082.db2.gz KXYMIQXKYNXDCI-ZDUSSCGKSA-N 1 0 300.742 1.879 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC2(CCC(O)CC2)CC1 ZINC000451147790 231019392 /nfs/dbraw/zinc/01/93/92/231019392.db2.gz SRWWPSLHOOQYSN-UHFFFAOYSA-N 1 0 308.382 1.845 20 5 DDBDRO O=C1CC[C@@H]([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CN1 ZINC000358130637 299083989 /nfs/dbraw/zinc/08/39/89/299083989.db2.gz MQXVOHSWIREYMH-ZIAGYGMSSA-N 1 0 303.362 1.784 20 5 DDBDRO CCC[NH+]1CCC(N(C)CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000090551632 185302918 /nfs/dbraw/zinc/30/29/18/185302918.db2.gz ASNCJVZSKPXTQX-UHFFFAOYSA-N 1 0 322.409 1.563 20 5 DDBDRO COc1ccc(NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000272809073 210211232 /nfs/dbraw/zinc/21/12/32/210211232.db2.gz IWSBTQUUXYHOHR-LBPRGKRZSA-N 1 0 320.349 1.915 20 5 DDBDRO Cc1cc(NCC2(CO)COC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000181532700 199312910 /nfs/dbraw/zinc/31/29/10/199312910.db2.gz RNOBTHFZFGRFQV-UHFFFAOYSA-N 1 0 303.318 1.872 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1CCC(CO)CC1 ZINC000181549331 199316301 /nfs/dbraw/zinc/31/63/01/199316301.db2.gz CGORVJRVIPLWOH-CYBMUJFWSA-N 1 0 310.350 1.039 20 5 DDBDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)Cc3ccccc3[N+](=O)[O-])C2)C1 ZINC000292406069 529801280 /nfs/dbraw/zinc/80/12/80/529801280.db2.gz ZENBIKWCNXTRFN-MRXNPFEDSA-N 1 0 303.362 1.692 20 5 DDBDRO COc1cc(NC[C@@H](C)N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000266422723 282302364 /nfs/dbraw/zinc/30/23/64/282302364.db2.gz SHCFYVYDMORFAT-GFCCVEGCSA-N 1 0 308.382 1.651 20 5 DDBDRO C[NH2+][C@@H](C)Cc1noc(-c2cc(C(=O)OC)cc([N+](=O)[O-])c2)n1 ZINC000414638956 530041299 /nfs/dbraw/zinc/04/12/99/530041299.db2.gz DQFQNTJJLUHJEJ-QMMMGPOBSA-N 1 0 320.305 1.582 20 5 DDBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000299331512 530058002 /nfs/dbraw/zinc/05/80/02/530058002.db2.gz ZKFYKYRDCFOUES-LLVKDONJSA-N 1 0 302.334 1.900 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C(C)(C)CS(C)(=O)=O ZINC000358296345 299115035 /nfs/dbraw/zinc/11/50/35/299115035.db2.gz ITWZNRLLGSEYEA-UHFFFAOYSA-N 1 0 300.380 1.816 20 5 DDBDRO C[C@@H]([NH2+]C[C@H]1CS(=O)(=O)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000358305328 299116260 /nfs/dbraw/zinc/11/62/60/299116260.db2.gz ZMYQQZGYDZVZIN-MFKMUULPSA-N 1 0 314.363 1.059 20 5 DDBDRO C[C@@H]1CN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@@H](C)C[N@@H+]1C ZINC000330860125 232119929 /nfs/dbraw/zinc/11/99/29/232119929.db2.gz VWMOXXFDSLBUBO-HZSPNIEDSA-N 1 0 323.393 1.359 20 5 DDBDRO Cc1c(CNC(=O)N[C@H]2CCC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC000616200570 362584203 /nfs/dbraw/zinc/58/42/03/362584203.db2.gz JANWMVWOLJUKHG-ZDUSSCGKSA-N 1 0 306.366 1.797 20 5 DDBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000319006122 282407772 /nfs/dbraw/zinc/40/77/72/282407772.db2.gz MAPVZDIYKQLKQJ-QQNRWZHASA-N 1 0 301.346 1.820 20 5 DDBDRO COc1ccc(C[NH2+]CC2(S(C)(=O)=O)CC2)cc1[N+](=O)[O-] ZINC000279639193 215025862 /nfs/dbraw/zinc/02/58/62/215025862.db2.gz JAWSAKWIBHDTOH-UHFFFAOYSA-N 1 0 314.363 1.270 20 5 DDBDRO CC(C)[C@](C)(C[NH3+])NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000236632915 201940715 /nfs/dbraw/zinc/94/07/15/201940715.db2.gz ZPZWCKAGSZVNIP-HNNXBMFYSA-N 1 0 308.382 1.886 20 5 DDBDRO COC(=O)COc1ccc(C[NH2+][C@@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000342304959 282547165 /nfs/dbraw/zinc/54/71/65/282547165.db2.gz FXWIOZYJTRCKQC-GFCCVEGCSA-N 1 0 324.333 1.415 20 5 DDBDRO CC[NH+]1CCC(CNC(=O)c2ccc([N+](=O)[O-])c(NC)n2)CC1 ZINC000564709225 304008875 /nfs/dbraw/zinc/00/88/75/304008875.db2.gz LUGBBYXIEAWLJL-UHFFFAOYSA-N 1 0 321.381 1.493 20 5 DDBDRO CCCC[C@@H](C[NH3+])NS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000150328584 186056952 /nfs/dbraw/zinc/05/69/52/186056952.db2.gz OTMBXFUVJWMHJY-NSHDSACASA-N 1 0 315.395 1.699 20 5 DDBDRO COC(=O)[C@H]1CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000191861922 186266083 /nfs/dbraw/zinc/26/60/83/186266083.db2.gz OJFRGCZHTJFZLT-UGFHNGPFSA-N 1 0 322.361 1.759 20 5 DDBDRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000262871219 186316825 /nfs/dbraw/zinc/31/68/25/186316825.db2.gz VAVUPPDNPLLUPO-IUODEOHRSA-N 1 0 320.393 1.901 20 5 DDBDRO CC[NH+]1CCC(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000029606904 352242287 /nfs/dbraw/zinc/24/22/87/352242287.db2.gz IUJPOCASNZJJIZ-UHFFFAOYSA-N 1 0 307.350 1.818 20 5 DDBDRO Cn1cc(C[N@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)cn1 ZINC000027214970 352215132 /nfs/dbraw/zinc/21/51/32/352215132.db2.gz JZAPKESIJOEODJ-CQSZACIVSA-N 1 0 320.349 1.200 20 5 DDBDRO CC[NH+]1CCC(NC(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000028933545 352233661 /nfs/dbraw/zinc/23/36/61/352233661.db2.gz XWMDLPLNWVEGLQ-UHFFFAOYSA-N 1 0 307.350 1.574 20 5 DDBDRO CC[NH+](CC)[C@@H](C)CNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000041925854 352318558 /nfs/dbraw/zinc/31/85/58/352318558.db2.gz UKJCGXVXUDFHNX-LBPRGKRZSA-N 1 0 309.366 1.820 20 5 DDBDRO CCN1CC[NH+](CCCCNC(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000042309689 352334205 /nfs/dbraw/zinc/33/42/05/352334205.db2.gz QXSDXFZLSXVKOR-UHFFFAOYSA-N 1 0 323.397 1.070 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1NCC[N@@H+]1CCc2ccccc2C1 ZINC000045026610 352399921 /nfs/dbraw/zinc/39/99/21/352399921.db2.gz VWCRSEUUQRKNOZ-UHFFFAOYSA-N 1 0 301.350 1.799 20 5 DDBDRO CC(C)NC(=O)CC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000047745677 352510211 /nfs/dbraw/zinc/51/02/11/352510211.db2.gz MNVSHTSQUCIUIU-UHFFFAOYSA-N 1 0 320.393 1.632 20 5 DDBDRO NC(=O)C[N@H+](CCOc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000052826674 352626457 /nfs/dbraw/zinc/62/64/57/352626457.db2.gz QHHODTFLPXDRRP-UHFFFAOYSA-N 1 0 307.350 1.704 20 5 DDBDRO Cc1sc(C(=O)Nc2cnn(CC[NH+](C)C)c2)cc1[N+](=O)[O-] ZINC000061635272 352892086 /nfs/dbraw/zinc/89/20/86/352892086.db2.gz PLWTYURQAWFFKV-UHFFFAOYSA-N 1 0 323.378 1.975 20 5 DDBDRO C[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000066870881 353020640 /nfs/dbraw/zinc/02/06/40/353020640.db2.gz QLNSJOKYUJWEFE-UHFFFAOYSA-N 1 0 317.342 1.106 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H]1C(N)=O ZINC000068369195 353106961 /nfs/dbraw/zinc/10/69/61/353106961.db2.gz RLTZHDXRQJNXCD-ZDUSSCGKSA-N 1 0 320.349 1.182 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](CCO)C1CC1 ZINC000067965662 353077649 /nfs/dbraw/zinc/07/76/49/353077649.db2.gz MJJDORVPDYQEGP-UHFFFAOYSA-N 1 0 307.350 1.689 20 5 DDBDRO CCc1ccc(S(=O)(=O)NC[C@@H]([NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000564967784 304031240 /nfs/dbraw/zinc/03/12/40/304031240.db2.gz SRSLZEYJDBTQDW-GFCCVEGCSA-N 1 0 313.379 1.173 20 5 DDBDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000069529207 353165698 /nfs/dbraw/zinc/16/56/98/353165698.db2.gz WRAKFHNQQNVCCX-AWEZNQCLSA-N 1 0 307.350 1.435 20 5 DDBDRO CCC[NH+]1CCN(C(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000069544020 353167349 /nfs/dbraw/zinc/16/73/49/353167349.db2.gz TXCDVUIAMVJQHQ-UHFFFAOYSA-N 1 0 321.377 1.700 20 5 DDBDRO CNc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1[N+](=O)[O-] ZINC000073993039 353283557 /nfs/dbraw/zinc/28/35/57/353283557.db2.gz ZJMSLXWWINAYMP-OLZOCXBDSA-N 1 0 318.377 1.945 20 5 DDBDRO COc1ccc([C@H](CO)[N@H+](C)CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000174861024 198394088 /nfs/dbraw/zinc/39/40/88/198394088.db2.gz WQNQAXAKUQLYRN-HNNXBMFYSA-N 1 0 320.349 1.465 20 5 DDBDRO COCC[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000174808640 198387643 /nfs/dbraw/zinc/38/76/43/198387643.db2.gz HSSWNIULOGTAOL-UHFFFAOYSA-N 1 0 304.350 1.940 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@@]3(CCCOC3)C2)c1 ZINC000355776141 291004034 /nfs/dbraw/zinc/00/40/34/291004034.db2.gz BBSUGMQCQXLIPY-HUUCEWRRSA-N 1 0 324.381 1.045 20 5 DDBDRO CCC[N@@H+]1CC[C@@H](CNc2ccc3ncc([N+](=O)[O-])n3n2)C1 ZINC000091457694 353827112 /nfs/dbraw/zinc/82/71/12/353827112.db2.gz QWKOZPCZSXJIGQ-NSHDSACASA-N 1 0 304.354 1.781 20 5 DDBDRO COc1cccc(C[N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)c1 ZINC000090512160 353795206 /nfs/dbraw/zinc/79/52/06/353795206.db2.gz FAFHTHVNTAZBIQ-UHFFFAOYSA-N 1 0 317.345 1.897 20 5 DDBDRO C[C@@H](C[NH3+])NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000277069730 213274919 /nfs/dbraw/zinc/27/49/19/213274919.db2.gz OPPRHYLDOPHJPH-YFKPBYRVSA-N 1 0 320.118 1.573 20 5 DDBDRO CCOC(=O)CC[C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000161896678 354244802 /nfs/dbraw/zinc/24/48/02/354244802.db2.gz OOZDCDBJHSJWGU-ZDUSSCGKSA-N 1 0 324.381 1.847 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000316096147 354500233 /nfs/dbraw/zinc/50/02/33/354500233.db2.gz NCLRFIVAFHTFEC-ZDUSSCGKSA-N 1 0 306.366 1.538 20 5 DDBDRO COC(=O)c1cc(C)nc(N2CCC[C@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000585706676 354830890 /nfs/dbraw/zinc/83/08/90/354830890.db2.gz BHPQHXXRVHRPDA-NSHDSACASA-N 1 0 322.365 1.615 20 5 DDBDRO CCN(CC[NH+]1CCCCCC1)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000346289304 283056143 /nfs/dbraw/zinc/05/61/43/283056143.db2.gz GOWZDFSJPHOROI-UHFFFAOYSA-N 1 0 323.397 1.516 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@H](CCO)C2)c1 ZINC000589499646 354996764 /nfs/dbraw/zinc/99/67/64/354996764.db2.gz ZMKHWPTWADCKBE-GFCCVEGCSA-N 1 0 322.361 1.976 20 5 DDBDRO Cc1cc(NC(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000332595590 235168108 /nfs/dbraw/zinc/16/81/08/235168108.db2.gz BQRZJPBIHIGZMJ-NEPJUHHUSA-N 1 0 304.350 1.976 20 5 DDBDRO CN(C)C(=O)[C@H]1CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000591047957 355238943 /nfs/dbraw/zinc/23/89/43/355238943.db2.gz WUVPOXOHWKSFFO-ZDUSSCGKSA-N 1 0 321.377 1.774 20 5 DDBDRO CC[C@@H]1CN(C(=O)NCCc2ccccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000591353217 355296625 /nfs/dbraw/zinc/29/66/25/355296625.db2.gz ABQAZKJGFBLGSA-OCCSQVGLSA-N 1 0 320.393 1.906 20 5 DDBDRO COC(=O)c1cc(NC(=O)NC/C=C/C[NH3+])c(C)c([N+](=O)[O-])c1 ZINC000591301870 355284792 /nfs/dbraw/zinc/28/47/92/355284792.db2.gz ZXPNZYLMYUCARE-ONEGZZNKSA-N 1 0 322.321 1.326 20 5 DDBDRO CN1CCC[C@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000591734047 355373665 /nfs/dbraw/zinc/37/36/65/355373665.db2.gz YOUWVZCMHGXUGN-GXTWGEPZSA-N 1 0 309.366 1.018 20 5 DDBDRO CN1CCC[C@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000591733952 355374238 /nfs/dbraw/zinc/37/42/38/355374238.db2.gz QGBIGTMTRCBOTH-LBPRGKRZSA-N 1 0 306.366 1.607 20 5 DDBDRO COC(=O)c1cc(C(=O)N2CC[NH2+]CC2(C)C)cc([N+](=O)[O-])c1 ZINC000592473495 355592597 /nfs/dbraw/zinc/59/25/97/355592597.db2.gz XPJKWLDHTZOXHZ-UHFFFAOYSA-N 1 0 321.333 1.205 20 5 DDBDRO C[C@@H]([NH3+])[C@@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CCO1 ZINC000592475721 355593845 /nfs/dbraw/zinc/59/38/45/355593845.db2.gz UUGGSJWZELKKQA-RNCFNFMXSA-N 1 0 306.322 1.284 20 5 DDBDRO CC1(OCC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C[NH2+]C1 ZINC000592558380 355628834 /nfs/dbraw/zinc/62/88/34/355628834.db2.gz KUSACVICUDTVSD-UHFFFAOYSA-N 1 0 319.361 1.464 20 5 DDBDRO O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000592966017 355757445 /nfs/dbraw/zinc/75/74/45/355757445.db2.gz SJHBGFOJXWFWSK-FICVDOATSA-N 1 0 301.346 1.551 20 5 DDBDRO O=C(Cc1cn2c(n1)CCCC2)NCc1ccc([N+](=O)[O-])cc1 ZINC000593411782 355877126 /nfs/dbraw/zinc/87/71/26/355877126.db2.gz DQTHHQMPRVDXIC-UHFFFAOYSA-N 1 0 314.345 1.987 20 5 DDBDRO COc1cccc(C(=O)NCCC2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC000593918178 356059575 /nfs/dbraw/zinc/05/95/75/356059575.db2.gz BPFXRLSXTNMKBU-UHFFFAOYSA-N 1 0 307.350 1.723 20 5 DDBDRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000594106835 356115216 /nfs/dbraw/zinc/11/52/16/356115216.db2.gz AACBYWSQZGKOJL-GSJFWJNXSA-N 1 0 309.341 1.733 20 5 DDBDRO Cn1c(C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000346715501 283144898 /nfs/dbraw/zinc/14/48/98/283144898.db2.gz AVVHTWHGOJAULP-GFCCVEGCSA-N 1 0 324.381 1.116 20 5 DDBDRO O=C([C@@H]1C[C@@]12CCC[NH2+]C2)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000594427185 356207769 /nfs/dbraw/zinc/20/77/69/356207769.db2.gz GMMGANKSBCFFBR-XJKSGUPXSA-N 1 0 301.346 1.874 20 5 DDBDRO C[C@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])[C@@H]1CN(C)CCO1 ZINC000594503447 356238302 /nfs/dbraw/zinc/23/83/02/356238302.db2.gz WPPDNACTMDYSLI-PJODQICGSA-N 1 0 305.378 1.891 20 5 DDBDRO O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000594534253 356244620 /nfs/dbraw/zinc/24/46/20/356244620.db2.gz CTWLINVVEWTPMW-WDEREUQCSA-N 1 0 324.312 1.017 20 5 DDBDRO COc1cccc(C(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])c1[N+](=O)[O-] ZINC000595257870 356422022 /nfs/dbraw/zinc/42/20/22/356422022.db2.gz ACJHMOWPEWNRNY-MNOVXSKESA-N 1 0 307.350 1.803 20 5 DDBDRO CCCN(C(=O)c1ccc(N)c([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000236838951 202032748 /nfs/dbraw/zinc/03/27/48/202032748.db2.gz PXLBHROZFYMNMO-UHFFFAOYSA-N 1 0 306.366 1.781 20 5 DDBDRO C[C@@]12COC[C@]1(C)C[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C2 ZINC000595689573 356611452 /nfs/dbraw/zinc/61/14/52/356611452.db2.gz RWPDTYCBAVLJHC-IYBDPMFKSA-N 1 0 319.361 1.552 20 5 DDBDRO CO[C@@]1(CO)CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000595661220 356597246 /nfs/dbraw/zinc/59/72/46/356597246.db2.gz JYEZQONNJOPOCF-HNNXBMFYSA-N 1 0 310.350 1.447 20 5 DDBDRO C[C@H]1C[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H](C)C1O ZINC000595740200 356630084 /nfs/dbraw/zinc/63/00/84/356630084.db2.gz DFTCKFNHQOIWSC-RYUDHWBXSA-N 1 0 321.377 1.872 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH+]2C[C@H](C)C(O)[C@@H](C)C2)c1 ZINC000595732272 356626271 /nfs/dbraw/zinc/62/62/71/356626271.db2.gz KTSCUFBGIORBSZ-QWRGUYRKSA-N 1 0 322.361 1.830 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@@H](CCF)C2)c1 ZINC000595756850 356639193 /nfs/dbraw/zinc/63/91/93/356639193.db2.gz XXSCJCMIZZNOBZ-AAEUAGOBSA-N 1 0 300.334 1.224 20 5 DDBDRO CC(C)[NH2+]CC(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000595924166 356706086 /nfs/dbraw/zinc/70/60/86/356706086.db2.gz HGMNJLKEEALEFS-NSHDSACASA-N 1 0 307.354 1.001 20 5 DDBDRO CC[C@H]([NH2+]C)C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000595925094 356706983 /nfs/dbraw/zinc/70/69/83/356706983.db2.gz RQQYRGQVVZGIMV-PWSUYJOCSA-N 1 0 307.354 1.001 20 5 DDBDRO O=[N+]([O-])c1cccc(OCC[N@H+]2CCSC[C@@H]2CCO)c1 ZINC000347508120 283218487 /nfs/dbraw/zinc/21/84/87/283218487.db2.gz AFRUHSRXMNIKPL-ZDUSSCGKSA-N 1 0 312.391 1.773 20 5 DDBDRO CN(C(=O)CC[NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000596062248 356757952 /nfs/dbraw/zinc/75/79/52/356757952.db2.gz JJIXSAVBYCCRCI-UHFFFAOYSA-N 1 0 317.349 1.434 20 5 DDBDRO O=[N+]([O-])c1cccc(OCC[N@H+]2CCSC[C@H]2CCO)c1 ZINC000347508117 283218671 /nfs/dbraw/zinc/21/86/71/283218671.db2.gz AFRUHSRXMNIKPL-CYBMUJFWSA-N 1 0 312.391 1.773 20 5 DDBDRO Cc1cc(N2CCO[C@@H](CCC[NH+](C)C)C2)ncc1[N+](=O)[O-] ZINC000596567794 356919449 /nfs/dbraw/zinc/91/94/49/356919449.db2.gz PGHPUBIRXKVKDI-ZDUSSCGKSA-N 1 0 308.382 1.845 20 5 DDBDRO COc1cc(C(=O)NC[C@@H]([NH3+])C2CC2)c([N+](=O)[O-])cc1OC ZINC000237257398 202207857 /nfs/dbraw/zinc/20/78/57/202207857.db2.gz MQCIWWYWLYLVJX-SNVBAGLBSA-N 1 0 309.322 1.079 20 5 DDBDRO COc1cc(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1[N+](=O)[O-] ZINC000237269575 202210567 /nfs/dbraw/zinc/21/05/67/202210567.db2.gz CVAYNALSEGEPKD-FOSCPWQOSA-N 1 0 305.334 1.616 20 5 DDBDRO COc1ccc(CC(=O)N2CC[C@@H]([NH+](C)C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000597700589 357291227 /nfs/dbraw/zinc/29/12/27/357291227.db2.gz OBLPLVHZEAKGMF-WCQYABFASA-N 1 0 321.377 1.697 20 5 DDBDRO Cc1cc(OCC(=O)N2CC[C@H]([NH+](C)C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000597700150 357291417 /nfs/dbraw/zinc/29/14/17/357291417.db2.gz MCMCKFJEAMLUQR-DOMZBBRYSA-N 1 0 321.377 1.833 20 5 DDBDRO C[C@@H](CCNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)[NH+](C)C ZINC000597992960 357409936 /nfs/dbraw/zinc/40/99/36/357409936.db2.gz QFIQWPLINZEIMU-JTQLQIEISA-N 1 0 323.349 1.436 20 5 DDBDRO CCC[N@@H+]1CC[C@H](NC(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])C1 ZINC000598343860 357546964 /nfs/dbraw/zinc/54/69/64/357546964.db2.gz WYEAXESMVXJHCR-JTQLQIEISA-N 1 0 309.370 1.655 20 5 DDBDRO C[NH+](C)CCC[C@@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])CCO1 ZINC000598546389 357628305 /nfs/dbraw/zinc/62/83/05/357628305.db2.gz VCBIFHLNRDKSOS-CYBMUJFWSA-N 1 0 321.377 1.778 20 5 DDBDRO COc1cccc(C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)c1[N+](=O)[O-] ZINC000598668471 357678103 /nfs/dbraw/zinc/67/81/03/357678103.db2.gz UALXRDCEVQPVBW-ZUZCIYMTSA-N 1 0 305.334 1.557 20 5 DDBDRO Cc1c(CC(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)cccc1[N+](=O)[O-] ZINC000598667765 357678457 /nfs/dbraw/zinc/67/84/57/357678457.db2.gz KCMZGHMDJDTUAA-CJNGLKHVSA-N 1 0 303.362 1.786 20 5 DDBDRO CC[C@H](C)[NH+]1CCN(c2nccc(C(=O)OC)c2[N+](=O)[O-])CC1 ZINC000598632269 357662603 /nfs/dbraw/zinc/66/26/03/357662603.db2.gz CQKSJKHDZCXIBW-NSHDSACASA-N 1 0 322.365 1.697 20 5 DDBDRO O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000598914404 357756954 /nfs/dbraw/zinc/75/69/54/357756954.db2.gz CIXZUUCNXASCOP-AWEZNQCLSA-N 1 0 308.313 1.951 20 5 DDBDRO O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000598916316 357757497 /nfs/dbraw/zinc/75/74/97/357757497.db2.gz XTMGUBIVIAKQMU-JOYOIKCWSA-N 1 0 308.313 1.950 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H](O)[C@@H]1CCCO1 ZINC000599067273 357806670 /nfs/dbraw/zinc/80/66/70/357806670.db2.gz YRUNIZCAOYPHDX-GDLCADMTSA-N 1 0 310.350 1.794 20 5 DDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000599107584 357817339 /nfs/dbraw/zinc/81/73/39/357817339.db2.gz OTNWWLAPZYGOSP-GFCCVEGCSA-N 1 0 311.363 1.158 20 5 DDBDRO Cc1cc(NCC[N@@H+]2CC[C@@H](O)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000599175439 357840480 /nfs/dbraw/zinc/84/04/80/357840480.db2.gz BFYMKNIGCUSCTC-GFCCVEGCSA-N 1 0 316.361 1.930 20 5 DDBDRO CC[C@@H]1CN(c2ncc(C(=O)OC)cc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000599178095 357840999 /nfs/dbraw/zinc/84/09/99/357840999.db2.gz ABNNXTCCPOOBDU-GXSJLCMTSA-N 1 0 308.338 1.353 20 5 DDBDRO CCO[C@@H](C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C1CC1 ZINC000599258056 357864798 /nfs/dbraw/zinc/86/47/98/357864798.db2.gz FDWCWROZZCXCSI-HNNXBMFYSA-N 1 0 320.393 1.927 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@H]3CC[C@@H](C2)S3)c1 ZINC000599553487 357970966 /nfs/dbraw/zinc/97/09/66/357970966.db2.gz WSYAFCVTZUFRKI-UPJWGTAASA-N 1 0 312.395 1.122 20 5 DDBDRO Cc1noc(CN2CCC(C)([NH+]3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000599622222 357995378 /nfs/dbraw/zinc/99/53/78/357995378.db2.gz IWJNCZVAZCDTPS-UHFFFAOYSA-N 1 0 324.381 1.578 20 5 DDBDRO CCOC(=O)c1cccc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)n1 ZINC000600141696 358135903 /nfs/dbraw/zinc/13/59/03/358135903.db2.gz IMIMVRRANMEYAC-UHFFFAOYSA-N 1 0 319.321 1.153 20 5 DDBDRO O=c1[nH]cccc1C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000600760523 358310392 /nfs/dbraw/zinc/31/03/92/358310392.db2.gz VIKQNKFXYWDWPV-GFCCVEGCSA-N 1 0 319.317 1.225 20 5 DDBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@H]3COCCN3)o2)cc1 ZINC000600679077 358281166 /nfs/dbraw/zinc/28/11/66/358281166.db2.gz ZATHKFXMNFPVTQ-CYBMUJFWSA-N 1 0 317.345 1.933 20 5 DDBDRO C[N@@H+]1CCCC[C@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C1 ZINC000600835038 358328962 /nfs/dbraw/zinc/32/89/62/358328962.db2.gz HAMIOUGPZSRLNE-SNVBAGLBSA-N 1 0 308.338 1.157 20 5 DDBDRO C[NH+](C)CCCS(=O)(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000601358385 358514416 /nfs/dbraw/zinc/51/44/16/358514416.db2.gz QBNIVIDGOROVHB-UHFFFAOYSA-N 1 0 315.395 1.008 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)C[C@@H]2C1 ZINC000601183702 358437504 /nfs/dbraw/zinc/43/75/04/358437504.db2.gz CSOFEZWGEVUSBJ-MNOVXSKESA-N 1 0 301.350 1.859 20 5 DDBDRO Cc1cn(C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)nc1[N+](=O)[O-] ZINC000601956013 358752356 /nfs/dbraw/zinc/75/23/56/358752356.db2.gz CUHUQJRFIBYCII-MRXNPFEDSA-N 1 0 316.361 1.737 20 5 DDBDRO C[C@@H]1C[C@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H](C)O1 ZINC000601968908 358758463 /nfs/dbraw/zinc/75/84/63/358758463.db2.gz OKFZSHGZEOCGJN-ZSEWYUTFSA-N 1 0 310.350 1.490 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@H]([NH+](C)C)C1(C)C ZINC000602175217 358864355 /nfs/dbraw/zinc/86/43/55/358864355.db2.gz XGKIGDYNDHYGCG-OLZOCXBDSA-N 1 0 306.366 1.757 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@@H]([NH+](C)C)C1(C)C ZINC000602175218 358864418 /nfs/dbraw/zinc/86/44/18/358864418.db2.gz XGKIGDYNDHYGCG-QWHCGFSZSA-N 1 0 306.366 1.757 20 5 DDBDRO COCC[N@H+](C)CCNCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602531676 359030392 /nfs/dbraw/zinc/03/03/92/359030392.db2.gz WNTIUNSZOBLIFK-UHFFFAOYSA-N 1 0 308.338 1.404 20 5 DDBDRO C[NH2+]CCOCCN(C)C(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000602546416 359038369 /nfs/dbraw/zinc/03/83/69/359038369.db2.gz RVTWTEVEFQFTLK-UHFFFAOYSA-N 1 0 309.366 1.520 20 5 DDBDRO C[C@@H]([NH3+])CNC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000602491506 359013568 /nfs/dbraw/zinc/01/35/68/359013568.db2.gz JKMDYQDACGDVAP-ZCFIWIBFSA-N 1 0 302.128 1.434 20 5 DDBDRO C[N@H+](CCC(N)=O)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602652298 359101578 /nfs/dbraw/zinc/10/15/78/359101578.db2.gz CIMIDWBELSVCLB-UHFFFAOYSA-N 1 0 305.256 1.921 20 5 DDBDRO CCC1(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)COC1 ZINC000602684708 359124821 /nfs/dbraw/zinc/12/48/21/359124821.db2.gz RLFLHEWCBYNNEB-UHFFFAOYSA-N 1 0 320.393 1.975 20 5 DDBDRO Cc1ccc(C[N@@H+]2C[C@]3(C)C(=O)NC(=O)[C@]3(C)C2)cc1[N+](=O)[O-] ZINC000602729682 359153377 /nfs/dbraw/zinc/15/33/77/359153377.db2.gz AZVKLXPMRINQKM-IYBDPMFKSA-N 1 0 317.345 1.388 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000602843195 359231100 /nfs/dbraw/zinc/23/11/00/359231100.db2.gz WERNWIYYNUDZDW-MGPQQGTHSA-N 1 0 308.382 1.725 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](CO)[C@@H](C)c1ccccc1 ZINC000602809050 359205681 /nfs/dbraw/zinc/20/56/81/359205681.db2.gz DWXNSMTXJWJQLY-SWLSCSKDSA-N 1 0 318.377 1.854 20 5 DDBDRO Cn1cc(C2=CCC[N@H+](CCn3ccc([N+](=O)[O-])n3)C2)cn1 ZINC000602888087 359272037 /nfs/dbraw/zinc/27/20/37/359272037.db2.gz PACXCFYHYBBDQX-UHFFFAOYSA-N 1 0 302.338 1.314 20 5 DDBDRO CCC[NH+]1CCN(C(=O)Nc2c(C)cncc2[N+](=O)[O-])CC1 ZINC000602956786 359321114 /nfs/dbraw/zinc/32/11/14/359321114.db2.gz KCRLDWMFJTZDDU-UHFFFAOYSA-N 1 0 307.354 1.280 20 5 DDBDRO COc1ccc(C[N@H+]2C[C@H](OC)C[C@@]2(C)CO)cc1[N+](=O)[O-] ZINC000602963871 359327920 /nfs/dbraw/zinc/32/79/20/359327920.db2.gz JLEQPQOAGDOFCA-DOMZBBRYSA-N 1 0 310.350 1.575 20 5 DDBDRO Nc1ncc([N+](=O)[O-])cc1C(=O)NCCC[NH+]1CCCCCC1 ZINC000186642013 199984708 /nfs/dbraw/zinc/98/47/08/199984708.db2.gz HFHMJAOAVRLBLM-UHFFFAOYSA-N 1 0 321.381 1.568 20 5 DDBDRO O=[N+]([O-])c1ncccc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC000603862430 359689268 /nfs/dbraw/zinc/68/92/68/359689268.db2.gz TYBSDYQRLOFRGQ-UHFFFAOYSA-N 1 0 306.366 1.538 20 5 DDBDRO CCC[NH+]1CCC(N(C)C(=O)c2cc([N+](=O)[O-])cn2C)CC1 ZINC000604267766 359730549 /nfs/dbraw/zinc/73/05/49/359730549.db2.gz WWYWZKRMJIEPKP-UHFFFAOYSA-N 1 0 308.382 1.880 20 5 DDBDRO O=c1nc(C2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)[nH][nH]1 ZINC000281084905 216068896 /nfs/dbraw/zinc/06/88/96/216068896.db2.gz UVOGPKCFJHPCAF-UHFFFAOYSA-N 1 0 303.322 1.386 20 5 DDBDRO C[C@@H]1CN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)[C@@H](C)C[NH2+]1 ZINC000237639800 202314054 /nfs/dbraw/zinc/31/40/54/202314054.db2.gz PYIISFVIGGMCLO-BDAKNGLRSA-N 1 0 303.322 1.294 20 5 DDBDRO [NH3+]C[C@H]1CCCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000237851109 202370110 /nfs/dbraw/zinc/37/01/10/202370110.db2.gz QAWFAWNCHYZDBL-CYBMUJFWSA-N 1 0 320.393 1.984 20 5 DDBDRO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000418475544 283511442 /nfs/dbraw/zinc/51/14/42/283511442.db2.gz SPWVQVSCIPAEGV-DOMZBBRYSA-N 1 0 318.377 1.790 20 5 DDBDRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1Cc1ccccc1[N+](=O)[O-] ZINC000189428725 200399464 /nfs/dbraw/zinc/39/94/64/200399464.db2.gz UJGNDYMAHXQACJ-ZDUSSCGKSA-N 1 0 307.394 1.872 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cnn(CC[NH+](C)C)c2)c1 ZINC000610227382 360393047 /nfs/dbraw/zinc/39/30/47/360393047.db2.gz OXPNMIBTKGROMO-UHFFFAOYSA-N 1 0 317.349 1.914 20 5 DDBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000609851223 360356701 /nfs/dbraw/zinc/35/67/01/360356701.db2.gz WTPVTQKFJHQJJA-ZDUSSCGKSA-N 1 0 321.377 1.964 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c1 ZINC000610677395 360502416 /nfs/dbraw/zinc/50/24/16/360502416.db2.gz AEQYLHVPPQVUET-ZBFHGGJFSA-N 1 0 305.378 1.939 20 5 DDBDRO O=[N+]([O-])c1ccc(-c2nc(CN3C[C@H]4C[NH2+]C[C@@H]4C3)co2)cc1 ZINC000611170467 360643682 /nfs/dbraw/zinc/64/36/82/360643682.db2.gz MGOUAHDKYKVXRI-CHWSQXEVSA-N 1 0 314.345 1.901 20 5 DDBDRO CC[N@@H+]1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000611088488 360619285 /nfs/dbraw/zinc/61/92/85/360619285.db2.gz ZGASKBKNMKNKQJ-LBPRGKRZSA-N 1 0 307.350 1.526 20 5 DDBDRO CC[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CC(=O)N(C)C ZINC000611204851 360658663 /nfs/dbraw/zinc/65/86/63/360658663.db2.gz BNJHAQJNOIGNNE-UHFFFAOYSA-N 1 0 322.365 1.334 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000611234726 360671350 /nfs/dbraw/zinc/67/13/50/360671350.db2.gz NZOKIHOYOYQBBC-LLVKDONJSA-N 1 0 307.354 1.029 20 5 DDBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCc1nnnn1C ZINC000611327902 360699908 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Cc1ncc([N+](=O)[O-])cc1C(=O)NCC[NH+]1CCCCCC1 ZINC000193288692 201020282 /nfs/dbraw/zinc/02/02/82/201020282.db2.gz COQWEUICILSSGI-UHFFFAOYSA-N 1 0 306.366 1.904 20 5 DDBDRO C[NH2+][C@@H](C)CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000283297679 283652874 /nfs/dbraw/zinc/65/28/74/283652874.db2.gz HNAIIIHBEXBDIV-LBPRGKRZSA-N 1 0 320.393 1.923 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])c(NCCCN2CC[NH+](C)CC2)n1 ZINC000359110915 299328410 /nfs/dbraw/zinc/32/84/10/299328410.db2.gz TYPRLJDRPUKVRL-UHFFFAOYSA-N 1 0 307.398 1.656 20 5 DDBDRO O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000292906902 223302872 /nfs/dbraw/zinc/30/28/72/223302872.db2.gz DVLVIHLFDOZEGU-IHDARNGBSA-N 1 0 301.346 1.818 20 5 DDBDRO C[C@@](O)(CO)C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000619464258 364023839 /nfs/dbraw/zinc/02/38/39/364023839.db2.gz HVSFAYFMXMFJBJ-AWEZNQCLSA-N 1 0 323.374 1.551 20 5 DDBDRO C[C@@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1cn[nH]c1 ZINC000275155028 212155252 /nfs/dbraw/zinc/15/52/52/212155252.db2.gz HNELKNZWZWWHPF-PWSUYJOCSA-N 1 0 306.322 1.408 20 5 DDBDRO CN1CCC[C@H]1C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000579465042 422771431 /nfs/dbraw/zinc/77/14/31/422771431.db2.gz HMVJNDGIOJLSLW-UONOGXRCSA-N 1 0 309.366 1.018 20 5 DDBDRO CC[C@H](C)[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000007077690 181437954 /nfs/dbraw/zinc/43/79/54/181437954.db2.gz CADXYXPGJAUYLS-JTQLQIEISA-N 1 0 301.368 1.261 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000349974358 284124648 /nfs/dbraw/zinc/12/46/48/284124648.db2.gz PSJSVQSVTIBAFB-UHFFFAOYSA-N 1 0 319.361 1.985 20 5 DDBDRO Cc1ccc([C@@H](C)NC(=O)C[C@H]2COCC[NH2+]2)cc1[N+](=O)[O-] ZINC000262352950 203271143 /nfs/dbraw/zinc/27/11/43/203271143.db2.gz JJKOLWLZYRRGAM-YPMHNXCESA-N 1 0 307.350 1.459 20 5 DDBDRO C[C@@H]1C[C@H](NC(=O)CN(C)c2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000262922870 203414706 /nfs/dbraw/zinc/41/47/06/203414706.db2.gz RYAGIEBUNRFJAP-VXGBXAGGSA-N 1 0 306.366 1.288 20 5 DDBDRO C[N@@H+]1CCCC[C@H]1CN1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000264553276 203993006 /nfs/dbraw/zinc/99/30/06/203993006.db2.gz SBTYMDMGBUGNEY-HNNXBMFYSA-N 1 0 319.409 1.596 20 5 DDBDRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNc1ccc([N+](=O)[O-])cc1F ZINC000264571340 204003248 /nfs/dbraw/zinc/00/32/48/204003248.db2.gz HPIXLCPJWZKXID-ZDUSSCGKSA-N 1 0 310.329 1.486 20 5 DDBDRO C[C@H](O)C1CC[NH+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000264731300 204110454 /nfs/dbraw/zinc/11/04/54/204110454.db2.gz POJNKIGCSORZQE-WFASDCNBSA-N 1 0 324.377 1.427 20 5 DDBDRO CC[N@@H+]1CCN(C(=O)CCn2cc([N+](=O)[O-])nc2C)[C@@H](C)C1 ZINC000288260256 220047513 /nfs/dbraw/zinc/04/75/13/220047513.db2.gz FMVSWVIRKSXUCF-NSHDSACASA-N 1 0 309.370 1.042 20 5 DDBDRO CC[C@@H](CO)[NH+]1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000266200016 205179358 /nfs/dbraw/zinc/17/93/58/205179358.db2.gz JBDQHYRKZOXQFI-LBPRGKRZSA-N 1 0 309.366 1.496 20 5 DDBDRO CC[C@@H](CO)[NH+]1CCN(c2ccc([N+](=O)[O-])c3nonc32)CC1 ZINC000266230458 205201995 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DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CCC1(O)CCC1 ZINC000567378713 304215800 /nfs/dbraw/zinc/21/58/00/304215800.db2.gz NXODMEQWJFIJDB-GFCCVEGCSA-N 1 0 310.350 1.229 20 5 DDBDRO C[C@H](CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)[NH+](C)C ZINC000339056439 250272437 /nfs/dbraw/zinc/27/24/37/250272437.db2.gz LLYISNUIKUVIPG-LLVKDONJSA-N 1 0 317.349 1.460 20 5 DDBDRO C[N@@H+]1CC[C@H](CNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000109992062 194303217 /nfs/dbraw/zinc/30/32/17/194303217.db2.gz DDDVPKPLNAIQRB-CYBMUJFWSA-N 1 0 320.393 1.855 20 5 DDBDRO COCC[N@@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC)C1 ZINC000340969552 251310063 /nfs/dbraw/zinc/31/00/63/251310063.db2.gz SLUGMVGBBUQRRR-LLVKDONJSA-N 1 0 323.349 1.054 20 5 DDBDRO C[C@@H]1C[C@@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000341009071 251333662 /nfs/dbraw/zinc/33/36/62/251333662.db2.gz AHJGRHFAVIKMMT-YPMHNXCESA-N 1 0 306.366 1.877 20 5 DDBDRO CCCN(CCN1CC[NH+](CC)CC1)c1ncccc1[N+](=O)[O-] ZINC000341022056 251342104 /nfs/dbraw/zinc/34/21/04/251342104.db2.gz ACIATEAICPPQIP-UHFFFAOYSA-N 1 0 321.425 1.844 20 5 DDBDRO C[NH2+][C@@H]1CCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000269117286 207254297 /nfs/dbraw/zinc/25/42/97/207254297.db2.gz HUQAOKJZUTVXGE-GFCCVEGCSA-N 1 0 315.333 1.214 20 5 DDBDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000063757939 184287799 /nfs/dbraw/zinc/28/77/99/184287799.db2.gz SBVRZFAHHBLQLI-ZDUSSCGKSA-N 1 0 323.397 1.562 20 5 DDBDRO COc1cc(C(=O)N2CC[NH2+][C@H](C)C2)cc([N+](=O)[O-])c1OC ZINC000269226887 207347418 /nfs/dbraw/zinc/34/74/18/207347418.db2.gz UJCGQFCMKOQRIZ-SECBINFHSA-N 1 0 309.322 1.046 20 5 DDBDRO C[NH2+]C[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000158969900 197315187 /nfs/dbraw/zinc/31/51/87/197315187.db2.gz GVKCFIJKNTUNJU-LLVKDONJSA-N 1 0 307.350 1.675 20 5 DDBDRO O=[N+]([O-])c1cnc(N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)nc1 ZINC000274025819 285177602 /nfs/dbraw/zinc/17/76/02/285177602.db2.gz WMZDQTWLXRGZIE-FZMZJTMJSA-N 1 0 303.366 1.838 20 5 DDBDRO CNc1ccc(C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000568079227 304267140 /nfs/dbraw/zinc/26/71/40/304267140.db2.gz KXTWETDKOPYWJZ-SWLSCSKDSA-N 1 0 318.377 1.803 20 5 DDBDRO CS[C@H]1CN(c2ncc([N+](=O)[O-])cc2F)C[C@H]1[NH+](C)C ZINC000413204626 224154276 /nfs/dbraw/zinc/15/42/76/224154276.db2.gz JGXOEODFTULHRM-MNOVXSKESA-N 1 0 300.359 1.611 20 5 DDBDRO O=C(NCCC[C@H]1CCC[NH2+]1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000294798267 224228408 /nfs/dbraw/zinc/22/84/08/224228408.db2.gz IDNUSMGRQWVROL-SNVBAGLBSA-N 1 0 317.349 1.733 20 5 DDBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000289939616 221330038 /nfs/dbraw/zinc/33/00/38/221330038.db2.gz WAMQLMRNRBMLBF-OLZOCXBDSA-N 1 0 318.377 1.465 20 5 DDBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCCO1 ZINC000295848483 533504335 /nfs/dbraw/zinc/50/43/35/533504335.db2.gz BUQUVXZLYLVNBI-YWPYICTPSA-N 1 0 321.377 1.929 20 5 DDBDRO COc1ccc(CNC(=O)N2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000417197832 533597026 /nfs/dbraw/zinc/59/70/26/533597026.db2.gz QMJNJTQOFWMLFJ-UHFFFAOYSA-N 1 0 308.338 1.108 20 5 DDBDRO Cc1n[nH]c(C(=O)NCC[N@@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000299516980 533665346 /nfs/dbraw/zinc/66/53/46/533665346.db2.gz HZJMFCRGQQDFSE-UHFFFAOYSA-N 1 0 317.349 1.488 20 5 DDBDRO C/C=C\C[C@H](CO)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000568393504 304290933 /nfs/dbraw/zinc/29/09/33/304290933.db2.gz DOJIVPCBVAFBNC-BTBCPRSTSA-N 1 0 310.350 1.251 20 5 DDBDRO CN(C(=O)c1ccc([N+](=O)[O-])c2cccnc12)[C@@H]1CC[NH2+]C1 ZINC000568619624 304302131 /nfs/dbraw/zinc/30/21/31/304302131.db2.gz IAVYTALHZQCCLG-SNVBAGLBSA-N 1 0 300.318 1.577 20 5 DDBDRO O=[N+]([O-])c1cccc(Cl)c1CN1CC[C@@H](CO)[C@@H](O)C1 ZINC000569167161 304339378 /nfs/dbraw/zinc/33/93/78/304339378.db2.gz QUENTRCVUDZEGQ-ZANVPECISA-N 1 0 300.742 1.423 20 5 DDBDRO Cc1ccc(S(=O)(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000440426529 292177859 /nfs/dbraw/zinc/17/78/59/292177859.db2.gz PRSDEEJZNWLKJO-QWRGUYRKSA-N 1 0 313.379 1.261 20 5 DDBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@@](C)(C[NH3+])C1 ZINC000261663140 407570883 /nfs/dbraw/zinc/57/08/83/407570883.db2.gz IKXDHGZTFKZTPR-ABAIWWIYSA-N 1 0 306.366 1.593 20 5 DDBDRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000068121399 406619010 /nfs/dbraw/zinc/61/90/10/406619010.db2.gz YXKMTMHHGIWMSV-SNVBAGLBSA-N 1 0 324.356 1.920 20 5 DDBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000075890421 406945805 /nfs/dbraw/zinc/94/58/05/406945805.db2.gz HSFBBJLAPZRLPG-OAHLLOKOSA-N 1 0 305.378 1.891 20 5 DDBDRO Cc1csc([C@@H](C)[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)n1 ZINC000080310822 407071064 /nfs/dbraw/zinc/07/10/64/407071064.db2.gz NQPAVCUZWRVERF-KOLCDFICSA-N 1 0 311.367 1.268 20 5 DDBDRO CC[C@H]([NH2+]C[C@@H](O)CN1CCCC1=O)c1cccc([N+](=O)[O-])c1 ZINC000089515126 407137880 /nfs/dbraw/zinc/13/78/80/407137880.db2.gz DUEYZMVZBTYISY-CABCVRRESA-N 1 0 321.377 1.619 20 5 DDBDRO CN(CC[C@H]1CCCC[N@@H+]1C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090550846 407170157 /nfs/dbraw/zinc/17/01/57/407170157.db2.gz ZULAFDQXPPPVQS-CQSZACIVSA-N 1 0 322.409 1.563 20 5 DDBDRO CCC[NH2+]CCNS(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000054266455 407181670 /nfs/dbraw/zinc/18/16/70/407181670.db2.gz DWYVEKXRGMKTQD-UHFFFAOYSA-N 1 0 315.395 1.490 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C)[N@H+](C)C2CC2)c1 ZINC000057701191 407216996 /nfs/dbraw/zinc/21/69/96/407216996.db2.gz QLMTWQWNYPKIAH-JTQLQIEISA-N 1 0 307.350 1.816 20 5 DDBDRO CC[N@H+](C)CCNS(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000123364226 407327022 /nfs/dbraw/zinc/32/70/22/407327022.db2.gz FPWFULCWLSGXHQ-UHFFFAOYSA-N 1 0 307.397 1.195 20 5 DDBDRO Cc1cc(S(=O)(=O)NCCCC[NH3+])c(C)cc1[N+](=O)[O-] ZINC000570943590 304428972 /nfs/dbraw/zinc/42/89/72/304428972.db2.gz YUQWELRYAGDXIR-UHFFFAOYSA-N 1 0 301.368 1.229 20 5 DDBDRO COc1cc(C(=O)NC[C@H]2CCC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000108339284 407384636 /nfs/dbraw/zinc/38/46/36/407384636.db2.gz JKWZVHJSGZOIHU-LLVKDONJSA-N 1 0 307.350 1.675 20 5 DDBDRO C[C@H]([NH2+]CCn1cccn1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000112548133 407432160 /nfs/dbraw/zinc/43/21/60/407432160.db2.gz JNXAVZLTFCRBLY-NSHDSACASA-N 1 0 303.322 1.408 20 5 DDBDRO C[N@@H+]1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])C(C)(C)C1 ZINC000271035846 407481617 /nfs/dbraw/zinc/48/16/17/407481617.db2.gz LQXBEDKCRNKPDB-UHFFFAOYSA-N 1 0 306.366 1.559 20 5 DDBDRO [NH3+]C[C@H]1CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000178539710 407487703 /nfs/dbraw/zinc/48/77/03/407487703.db2.gz LHHWLPIQMHLHAP-SNVBAGLBSA-N 1 0 304.350 1.590 20 5 DDBDRO CCc1n[nH]c(C(=O)N2CC[C@@H]3CC[C@H](C2)[N@@H+]3C)c1[N+](=O)[O-] ZINC000185774987 407499863 /nfs/dbraw/zinc/49/98/63/407499863.db2.gz AQKWFDRVPVZNHT-VHSXEESVSA-N 1 0 307.354 1.189 20 5 DDBDRO Cc1c(CN2CC[NH2+]C[C@H]2c2nccn2C)cccc1[N+](=O)[O-] ZINC000261665610 407572959 /nfs/dbraw/zinc/57/29/59/407572959.db2.gz BJJSLQQJLSWCIE-HNNXBMFYSA-N 1 0 315.377 1.783 20 5 DDBDRO C[C@@]1(C[NH3+])CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000261674029 407574913 /nfs/dbraw/zinc/57/49/13/407574913.db2.gz GMFPFORHFLHKMC-ZDUSSCGKSA-N 1 0 313.379 1.095 20 5 DDBDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000261695189 407580228 /nfs/dbraw/zinc/58/02/28/407580228.db2.gz IUGYHNRMWCWOSX-RKDXNWHRSA-N 1 0 303.322 1.280 20 5 DDBDRO C[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@@H]1CCOC1 ZINC000128579284 407550116 /nfs/dbraw/zinc/55/01/16/407550116.db2.gz XRYLBFMZEALRGU-LLVKDONJSA-N 1 0 311.313 1.783 20 5 DDBDRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000261896655 407659707 /nfs/dbraw/zinc/65/97/07/407659707.db2.gz GEPHCVVAZINDIR-VHSXEESVSA-N 1 0 311.769 1.986 20 5 DDBDRO NC(=O)CCC1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000271280787 407613145 /nfs/dbraw/zinc/61/31/45/407613145.db2.gz ZKMNKHIWDMAMAP-UHFFFAOYSA-N 1 0 321.377 1.951 20 5 DDBDRO C[C@@H]([NH2+]CCS(=O)(=O)N(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000230991541 407692559 /nfs/dbraw/zinc/69/25/59/407692559.db2.gz PTRCRHUFCMJCEG-SNVBAGLBSA-N 1 0 301.368 1.137 20 5 DDBDRO C[C@]1(CN2CCN(c3cccc([N+](=O)[O-])c3)CC2)CC[NH2+]C1 ZINC000261970997 407695442 /nfs/dbraw/zinc/69/54/42/407695442.db2.gz IFPBKSLIKWOQKG-INIZCTEOSA-N 1 0 304.394 1.716 20 5 DDBDRO CCCN(CC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000262030162 407718036 /nfs/dbraw/zinc/71/80/36/407718036.db2.gz YQKMJLIWIYXDMZ-LBPRGKRZSA-N 1 0 306.366 1.607 20 5 DDBDRO COc1ccc(CN2CC[C@@H](OC)C[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000262338316 407803353 /nfs/dbraw/zinc/80/33/53/407803353.db2.gz UASZVALXFYWRKD-CHWSQXEVSA-N 1 0 309.366 1.542 20 5 DDBDRO C[N@H+]1CC=C(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000272228909 407824296 /nfs/dbraw/zinc/82/42/96/407824296.db2.gz LRAYKUPEJXONKA-UHFFFAOYSA-N 1 0 311.363 1.135 20 5 DDBDRO O=C(C[C@@H]1CSCC[NH2+]1)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000238053896 407877491 /nfs/dbraw/zinc/87/74/91/407877491.db2.gz FUIKBDKQOMONRY-GFCCVEGCSA-N 1 0 324.406 1.218 20 5 DDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000181028143 407948834 /nfs/dbraw/zinc/94/88/34/407948834.db2.gz TVYJFVFHKQQSRE-UHFFFAOYSA-N 1 0 318.377 1.877 20 5 DDBDRO C[C@H]1[NH2+]CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000262774907 407924467 /nfs/dbraw/zinc/92/44/67/407924467.db2.gz KQSGYQVXJGYYBE-GHMZBOCLSA-N 1 0 309.391 1.896 20 5 DDBDRO CNC(=O)CC1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000175031302 408031943 /nfs/dbraw/zinc/03/19/43/408031943.db2.gz PQZNCMDGCQIKJT-UHFFFAOYSA-N 1 0 321.377 1.822 20 5 DDBDRO CC(C)[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC000175057967 408039101 /nfs/dbraw/zinc/03/91/01/408039101.db2.gz XGKBHJJIZQPPQN-QWHCGFSZSA-N 1 0 321.381 1.265 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCc3ccccc3[C@@H]2CO)c1 ZINC000268457405 408052319 /nfs/dbraw/zinc/05/23/19/408052319.db2.gz COVXKDMIHFKOPV-HNNXBMFYSA-N 1 0 302.334 1.383 20 5 DDBDRO O=C(C1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1)N1CCCC1 ZINC000174813734 407992171 /nfs/dbraw/zinc/99/21/71/407992171.db2.gz YOOOADHESIWYDT-UHFFFAOYSA-N 1 0 321.381 1.126 20 5 DDBDRO C[NH+]1CCC(C)(CNC(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000272970832 408018405 /nfs/dbraw/zinc/01/84/05/408018405.db2.gz KUNLYLHEFCDZCI-UHFFFAOYSA-N 1 0 306.366 1.639 20 5 DDBDRO C[C@H]1CCC[C@H](CO)[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182220784 408098703 /nfs/dbraw/zinc/09/87/03/408098703.db2.gz DQGXXAUHODJIDV-MJBXVCDLSA-N 1 0 324.377 1.570 20 5 DDBDRO C[NH2+][C@H]1CCCN(c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C1 ZINC000138073060 408165379 /nfs/dbraw/zinc/16/53/79/408165379.db2.gz YPRYHIXEONJFTO-JTQLQIEISA-N 1 0 313.379 1.187 20 5 DDBDRO O=[N+]([O-])c1ccn(CCN2CCC[C@@H]([NH+]3CCCC3)CC2)n1 ZINC000176251080 408325084 /nfs/dbraw/zinc/32/50/84/408325084.db2.gz FSIUFZWNAWCIEG-CQSZACIVSA-N 1 0 307.398 1.742 20 5 DDBDRO COCC[NH+]1CCC(NC(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000176197893 408307823 /nfs/dbraw/zinc/30/78/23/408307823.db2.gz LAUOAUXBQBVHMW-UHFFFAOYSA-N 1 0 322.365 1.018 20 5 DDBDRO CC(C)(C)[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)CC(N)=O ZINC000131375857 162012941 /nfs/dbraw/zinc/01/29/41/162012941.db2.gz HQRNVLJCKMHXRI-UHFFFAOYSA-N 1 0 309.366 1.950 20 5 DDBDRO CN(CC[N@H+](C)C1CCCCC1)C(=O)c1c([N+](=O)[O-])cnn1C ZINC000164632622 162154120 /nfs/dbraw/zinc/15/41/20/162154120.db2.gz OAUJIPWTAJYZCR-UHFFFAOYSA-N 1 0 323.397 1.665 20 5 DDBDRO C[NH+](C)C[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000172207576 162264929 /nfs/dbraw/zinc/26/49/29/162264929.db2.gz BYGMNEFBOOXMNB-VIFPVBQESA-N 1 0 319.408 1.229 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000274427202 408402261 /nfs/dbraw/zinc/40/22/61/408402261.db2.gz FIPJTARBIVLSKI-ZDUSSCGKSA-N 1 0 323.397 1.479 20 5 DDBDRO CN(CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)CC(N)=O ZINC000264220319 408409581 /nfs/dbraw/zinc/40/95/81/408409581.db2.gz VOINKGSLPXCGDO-UHFFFAOYSA-N 1 0 304.306 1.209 20 5 DDBDRO COCCOCCOCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000274444709 408409657 /nfs/dbraw/zinc/40/96/57/408409657.db2.gz VESNCUQPYPFKHZ-UHFFFAOYSA-N 1 0 312.366 1.754 20 5 DDBDRO CN(C)c1cc[nH+]cc1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000183519802 408432343 /nfs/dbraw/zinc/43/23/43/408432343.db2.gz WSYBJSQQUNYCED-UHFFFAOYSA-N 1 0 300.318 1.986 20 5 DDBDRO CCOCC[NH+]1CCN(c2ccc([N+](=O)[O-])c3nonc32)CC1 ZINC000264320706 408443210 /nfs/dbraw/zinc/44/32/10/408443210.db2.gz KBKKAPXHNYWJBK-UHFFFAOYSA-N 1 0 321.337 1.290 20 5 DDBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000274543559 408444545 /nfs/dbraw/zinc/44/45/45/408444545.db2.gz UUUKGIOXRAHXEU-HZMBPMFUSA-N 1 0 306.366 1.589 20 5 DDBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2N)[C@H](C)C1 ZINC000176868047 408462844 /nfs/dbraw/zinc/46/28/44/408462844.db2.gz PJIQFBCQLYHMJI-DGCLKSJQSA-N 1 0 320.393 1.979 20 5 DDBDRO C[NH2+]CCCC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000178603855 162672522 /nfs/dbraw/zinc/67/25/22/162672522.db2.gz BDGOHQAVNYLFPB-UHFFFAOYSA-N 1 0 321.377 1.964 20 5 DDBDRO COC(=O)[C@]1(C)CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000177445643 408620648 /nfs/dbraw/zinc/62/06/48/408620648.db2.gz AQOGHTZVQQJTKV-OAHLLOKOSA-N 1 0 308.334 1.988 20 5 DDBDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000177529594 408646537 /nfs/dbraw/zinc/64/65/37/408646537.db2.gz MFGGKAFBXJUWRE-CHWSQXEVSA-N 1 0 320.393 1.996 20 5 DDBDRO CCc1n[nH]c(C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c1[N+](=O)[O-] ZINC000192792413 408649897 /nfs/dbraw/zinc/64/98/97/408649897.db2.gz YKVWBMOXBAESOJ-JQWIXIFHSA-N 1 0 321.381 1.437 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000177556717 408657668 /nfs/dbraw/zinc/65/76/68/408657668.db2.gz QNFDTHMXUSLCRB-NWDGAFQWSA-N 1 0 306.366 1.901 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000193021627 408684293 /nfs/dbraw/zinc/68/42/93/408684293.db2.gz HVGSUDQNMQLZCE-LLVKDONJSA-N 1 0 304.350 1.512 20 5 DDBDRO NC(=O)[C@@H]1CCCC[C@@H]1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000184794581 408691855 /nfs/dbraw/zinc/69/18/55/408691855.db2.gz NBUDTQURKVMDGH-NEPJUHHUSA-N 1 0 307.350 1.607 20 5 DDBDRO C[C@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000178207284 408787428 /nfs/dbraw/zinc/78/74/28/408787428.db2.gz FGMBNLOYUKQBJJ-NSHDSACASA-N 1 0 307.350 1.938 20 5 DDBDRO COc1cccc(NC[C@@H](C)N2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000185338401 408797416 /nfs/dbraw/zinc/79/74/16/408797416.db2.gz IVYOLURAXPWVNZ-GFCCVEGCSA-N 1 0 308.382 1.651 20 5 DDBDRO O=C(NCC1CC[NH+](CCO)CC1)c1csc([N+](=O)[O-])c1 ZINC000178297774 408800121 /nfs/dbraw/zinc/80/01/21/408800121.db2.gz DFILTEQLQJBFKV-UHFFFAOYSA-N 1 0 313.379 1.090 20 5 DDBDRO COCCN(CC[NH+](C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000163102399 408758987 /nfs/dbraw/zinc/75/89/87/408758987.db2.gz GFOPVVVKOSDLBT-UHFFFAOYSA-N 1 0 324.381 1.945 20 5 DDBDRO COC(=O)c1ccc(OC[C@H](O)C[N@H+](C)C2CC2)c([N+](=O)[O-])c1 ZINC000290798887 408834634 /nfs/dbraw/zinc/83/46/34/408834634.db2.gz PIGADPSQTIYVMJ-GFCCVEGCSA-N 1 0 324.333 1.215 20 5 DDBDRO COC(=O)c1cnc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c([N+](=O)[O-])c1 ZINC000276775818 408896063 /nfs/dbraw/zinc/89/60/63/408896063.db2.gz NTCYXVDWVMFVRH-NEPJUHHUSA-N 1 0 320.349 1.449 20 5 DDBDRO Cc1ccc(S(=O)(=O)N[C@H]2CCC[NH2+][C@H]2C)cc1[N+](=O)[O-] ZINC000189317084 163095673 /nfs/dbraw/zinc/09/56/73/163095673.db2.gz LKQXXGWRAOYXSB-JQWIXIFHSA-N 1 0 313.379 1.322 20 5 DDBDRO Cc1nn(C)c(C(=O)NCC(C)(C)[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000194487673 163285712 /nfs/dbraw/zinc/28/57/12/163285712.db2.gz NQYLWJZQXOOMLX-UHFFFAOYSA-N 1 0 323.397 1.631 20 5 DDBDRO C[NH2+]C[C@H](C)CNC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000237167358 163372277 /nfs/dbraw/zinc/37/22/77/163372277.db2.gz TVDTXQUJIKXNSW-VIFPVBQESA-N 1 0 311.338 1.197 20 5 DDBDRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000277743596 409003284 /nfs/dbraw/zinc/00/32/84/409003284.db2.gz YHHUWGIOAXKKNV-MFKMUULPSA-N 1 0 306.366 1.389 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC000292053773 408970580 /nfs/dbraw/zinc/97/05/80/408970580.db2.gz AEOWKPKPEGDIFX-INIZCTEOSA-N 1 0 319.361 1.771 20 5 DDBDRO COCC[N@@H+]1CC[C@H](Nc2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000286412625 408980713 /nfs/dbraw/zinc/98/07/13/408980713.db2.gz AUYSGCATKYGCIS-VIFPVBQESA-N 1 0 323.378 1.732 20 5 DDBDRO C[NH+](C)C/C=C/C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000277904308 409032968 /nfs/dbraw/zinc/03/29/68/409032968.db2.gz GKOLCNFNEVGFJY-ONEGZZNKSA-N 1 0 303.322 1.205 20 5 DDBDRO C[NH2+][C@@H]1CCCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000261694504 163686759 /nfs/dbraw/zinc/68/67/59/163686759.db2.gz FNHPOTVMFUTKNX-GFCCVEGCSA-N 1 0 306.366 1.241 20 5 DDBDRO O=c1nc([C@H]2CCC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)[nH][nH]1 ZINC000289167308 409227091 /nfs/dbraw/zinc/22/70/91/409227091.db2.gz FAWVWDBCVHEWGH-NSHDSACASA-N 1 0 303.322 1.386 20 5 DDBDRO O=[N+]([O-])c1cnc(N[C@H](CO)C[NH+]2CCCCC2)c(Cl)c1 ZINC000289189711 409230720 /nfs/dbraw/zinc/23/07/20/409230720.db2.gz SWDLMLAOMKXGJK-JTQLQIEISA-N 1 0 314.773 1.902 20 5 DDBDRO O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000289352436 409252385 /nfs/dbraw/zinc/25/23/85/409252385.db2.gz YDCGWDBLVUQBAP-OAHLLOKOSA-N 1 0 307.325 1.950 20 5 DDBDRO CN(C)C(=O)C1([NH2+]CCn2ccc([N+](=O)[O-])n2)CCCCC1 ZINC000295163927 409350456 /nfs/dbraw/zinc/35/04/56/409350456.db2.gz PCJFOLZZJKHLOI-UHFFFAOYSA-N 1 0 309.370 1.172 20 5 DDBDRO C[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)CC(C)(C)CO ZINC000295164058 409351032 /nfs/dbraw/zinc/35/10/32/409351032.db2.gz FRTXTPVWMKNYMN-CYBMUJFWSA-N 1 0 312.366 1.285 20 5 DDBDRO COc1ccc(C[NH2+]CC2([S@](C)=O)CCC2)cc1[N+](=O)[O-] ZINC000280687427 409409378 /nfs/dbraw/zinc/40/93/78/409409378.db2.gz RGNGDYFEFLCBPG-NRFANRHFSA-N 1 0 312.391 1.994 20 5 DDBDRO C[N@@H+]1CCC[C@H]2CN(c3nccc(C(N)=O)c3[N+](=O)[O-])CC[C@@H]21 ZINC000290497372 409424650 /nfs/dbraw/zinc/42/46/50/409424650.db2.gz ALVTTYSONHAHAQ-JQWIXIFHSA-N 1 0 319.365 1.009 20 5 DDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000280750019 409437073 /nfs/dbraw/zinc/43/70/73/409437073.db2.gz NFEPVVZUZCMBAC-MEBBXXQBSA-N 1 0 320.349 1.119 20 5 DDBDRO Cc1ccc(C(=O)Nc2ccn(CC[NH+](C)C)n2)cc1[N+](=O)[O-] ZINC000303010023 409522997 /nfs/dbraw/zinc/52/29/97/409522997.db2.gz JWAJJRBUYZZJSA-UHFFFAOYSA-N 1 0 317.349 1.914 20 5 DDBDRO CCN(CC[NH+]1CCCCCC1)C(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000331602539 409682597 /nfs/dbraw/zinc/68/25/97/409682597.db2.gz ZGGKEVZRDXFSIB-UHFFFAOYSA-N 1 0 323.397 1.964 20 5 DDBDRO CN1CCO[C@H](C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000332065477 409850512 /nfs/dbraw/zinc/85/05/12/409850512.db2.gz SIYOUSUVHHXXFI-MGPQQGTHSA-N 1 0 323.397 1.195 20 5 DDBDRO Cc1nnc([C@H]2CCC[N@H+](CCn3ccc([N+](=O)[O-])n3)C2)[nH]1 ZINC000349372598 409813230 /nfs/dbraw/zinc/81/32/30/409813230.db2.gz MWBFIJVSYGSFIE-NSHDSACASA-N 1 0 305.342 1.097 20 5 DDBDRO CC[NH+]1CCN(CC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)CC1 ZINC000346252170 409880447 /nfs/dbraw/zinc/88/04/47/409880447.db2.gz CLYFXZCQQSGHLI-UHFFFAOYSA-N 1 0 320.393 1.788 20 5 DDBDRO COc1cc(CN2CC[C@H]([C@H](C)[NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000346647660 410057034 /nfs/dbraw/zinc/05/70/34/410057034.db2.gz BAFCOBNHKBBAFT-QWRGUYRKSA-N 1 0 309.366 1.781 20 5 DDBDRO C[C@@H]1C[C@@H](Nc2nccc(C(N)=O)c2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000357513645 410078691 /nfs/dbraw/zinc/07/86/91/410078691.db2.gz NPRREUVXTCNYLQ-RKDXNWHRSA-N 1 0 305.338 1.126 20 5 DDBDRO COC(=O)[C@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H]1C ZINC000346691744 410085695 /nfs/dbraw/zinc/08/56/95/410085695.db2.gz WAZSXXSPSZRMFJ-SKDRFNHKSA-N 1 0 321.333 1.077 20 5 DDBDRO CC[N@@H+]1C[C@H](C)N(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000346759155 410136670 /nfs/dbraw/zinc/13/66/70/410136670.db2.gz APHFVAVIVLZCLM-RYUDHWBXSA-N 1 0 323.397 1.468 20 5 DDBDRO C[NH+](C)CC1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000357629320 410145580 /nfs/dbraw/zinc/14/55/80/410145580.db2.gz SRDBUKBVZRGYJZ-UHFFFAOYSA-N 1 0 321.377 1.774 20 5 DDBDRO COc1cccc(C(=O)NCC[N@H+]2CC=CCC2)c1[N+](=O)[O-] ZINC000357637911 410154009 /nfs/dbraw/zinc/15/40/09/410154009.db2.gz TWWQRDRUYBYKSI-UHFFFAOYSA-N 1 0 305.334 1.595 20 5 DDBDRO CC(C)C[C@@H]([NH3+])c1noc(Cn2cc([N+](=O)[O-])ccc2=O)n1 ZINC000339395631 410156830 /nfs/dbraw/zinc/15/68/30/410156830.db2.gz LMQUMBPEZSEIQV-SNVBAGLBSA-N 1 0 307.310 1.234 20 5 DDBDRO CC[N@@H+]1CC[C@@H]2OCCN(Cc3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000339399025 410161171 /nfs/dbraw/zinc/16/11/71/410161171.db2.gz YNBATDFBURBILB-CVEARBPZSA-N 1 0 305.378 1.890 20 5 DDBDRO C[C@@H]1C[C@H](NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC[N@@H+]1C ZINC000332695033 410218675 /nfs/dbraw/zinc/21/86/75/410218675.db2.gz RJERJTBNEAAPTB-MWLCHTKSSA-N 1 0 321.333 1.536 20 5 DDBDRO CC[NH+](CC)CCn1nc(-c2ccc([N+](=O)[O-])cc2)oc1=O ZINC000357739708 410220093 /nfs/dbraw/zinc/22/00/93/410220093.db2.gz ISFQCFMAXWNYMQ-UHFFFAOYSA-N 1 0 306.322 1.753 20 5 DDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C[C@@H](C)[NH+](C)[C@H](C)C1 ZINC000339614065 410331185 /nfs/dbraw/zinc/33/11/85/410331185.db2.gz JIIXDRMVULFSSF-JHJVBQTASA-N 1 0 320.393 1.946 20 5 DDBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000351858611 410296889 /nfs/dbraw/zinc/29/68/89/410296889.db2.gz BDDYDUFPIKHDRH-TUAOUCFPSA-N 1 0 306.366 1.591 20 5 DDBDRO CCOC(=O)c1ccnc(N2CCN(CC)C[C@H]2C)c1[N+](=O)[O-] ZINC000343273047 410299120 /nfs/dbraw/zinc/29/91/20/410299120.db2.gz QTMKWJIMSCIMNO-LLVKDONJSA-N 1 0 322.365 1.697 20 5 DDBDRO CN(CC[NH+]1CCCC1)C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000343454305 410464187 /nfs/dbraw/zinc/46/41/87/410464187.db2.gz AFLKRQIBRXLMLU-UHFFFAOYSA-N 1 0 321.377 1.918 20 5 DDBDRO O=[N+]([O-])c1ccc(OCC[N@H+]2CCSC[C@H]2CCO)cc1 ZINC000347365394 410498555 /nfs/dbraw/zinc/49/85/55/410498555.db2.gz HHYXYJZJVPNADN-CYBMUJFWSA-N 1 0 312.391 1.773 20 5 DDBDRO CC[N@H+](C[C@H](C)O)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000352202910 410545126 /nfs/dbraw/zinc/54/51/26/410545126.db2.gz NLQALLCWHRECLO-JQWIXIFHSA-N 1 0 309.366 1.933 20 5 DDBDRO CCC[N@@H+]1CCC[C@@H]1CNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000343598127 410561488 /nfs/dbraw/zinc/56/14/88/410561488.db2.gz ICBHVSLZYMAEPS-GFCCVEGCSA-N 1 0 309.370 1.172 20 5 DDBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000340088160 410667163 /nfs/dbraw/zinc/66/71/63/410667163.db2.gz IOHJJXLZKQLDTC-ZDUSSCGKSA-N 1 0 318.377 1.673 20 5 DDBDRO CN(CCC[NH+]1CCCC1)C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000343749067 410669335 /nfs/dbraw/zinc/66/93/35/410669335.db2.gz OOLRDRAWTGDTEB-UHFFFAOYSA-N 1 0 306.366 1.735 20 5 DDBDRO CC[NH+]1CCN([C@@H](C)CNc2nccc(C)c2[N+](=O)[O-])CC1 ZINC000301271967 410690207 /nfs/dbraw/zinc/69/02/07/410690207.db2.gz HUJHCTKWSBVCKH-ZDUSSCGKSA-N 1 0 307.398 1.736 20 5 DDBDRO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NCC[NH+]1CCC1 ZINC000337322215 410714606 /nfs/dbraw/zinc/71/46/06/410714606.db2.gz QXWMQBWAOFXGTA-UHFFFAOYSA-N 1 0 302.334 1.371 20 5 DDBDRO COc1ccc(CN2CCc3ncc([N+](=O)[O-])cc3C2)cn1 ZINC000347801332 410726503 /nfs/dbraw/zinc/72/65/03/410726503.db2.gz TXDYLGCVYHYBJB-UHFFFAOYSA-N 1 0 300.318 1.952 20 5 DDBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000330579869 410794940 /nfs/dbraw/zinc/79/49/40/410794940.db2.gz IHOMCXCZHJJCMT-CHWSQXEVSA-N 1 0 320.393 1.948 20 5 DDBDRO O=[N+]([O-])c1cnc2ccc(NCC[NH+]3CCCCCC3)nn21 ZINC000301838151 410809474 /nfs/dbraw/zinc/80/94/74/410809474.db2.gz NEROBMAEYUZQKU-UHFFFAOYSA-N 1 0 304.354 1.925 20 5 DDBDRO CCc1nn(C)c(N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)c1[N+](=O)[O-] ZINC000301917197 410830233 /nfs/dbraw/zinc/83/02/33/410830233.db2.gz ANWRBMXTBASLGS-SCRDCRAPSA-N 1 0 319.409 1.811 20 5 DDBDRO COC(=O)COc1ccc(C[NH2+][C@@]2(C)CCOC2)cc1[N+](=O)[O-] ZINC000353204292 410851374 /nfs/dbraw/zinc/85/13/74/410851374.db2.gz BSAMBAOXVVIKED-HNNXBMFYSA-N 1 0 324.333 1.415 20 5 DDBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2cc([N+](=O)[O-])nn2C)C1 ZINC000356150762 410862803 /nfs/dbraw/zinc/86/28/03/410862803.db2.gz PGIOBODAWGKLCG-TXEJJXNPSA-N 1 0 323.397 1.426 20 5 DDBDRO COC(=O)COc1ccc(C[NH2+][C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000353224816 410863118 /nfs/dbraw/zinc/86/31/18/410863118.db2.gz MGFVFPNMZBHQRI-NSHDSACASA-N 1 0 310.306 1.025 20 5 DDBDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cc([N+](=O)[O-])nn1C ZINC000356150092 410864557 /nfs/dbraw/zinc/86/45/57/410864557.db2.gz HSPBMPYURKVEER-LLVKDONJSA-N 1 0 309.370 1.323 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](CO)C1CCOCC1 ZINC000359853590 410917376 /nfs/dbraw/zinc/91/73/76/410917376.db2.gz WHHIJMRVAUPCPW-CQSZACIVSA-N 1 0 310.350 1.481 20 5 DDBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cc([N+](=O)[O-])nn1C ZINC000356319014 410962850 /nfs/dbraw/zinc/96/28/50/410962850.db2.gz YTYLLAMMRNCNDP-GHMZBOCLSA-N 1 0 307.354 1.027 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)N(C)C[C@H]2CCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000331250740 411041596 /nfs/dbraw/zinc/04/15/96/411041596.db2.gz ZYWNFEGAXGSVJG-SNVBAGLBSA-N 1 0 309.370 1.608 20 5 DDBDRO COc1cccc(C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000331430501 411086727 /nfs/dbraw/zinc/08/67/27/411086727.db2.gz CDGQKCSYECETFG-GXFFZTMASA-N 1 0 319.361 1.816 20 5 DDBDRO O=[N+]([O-])c1cccnc1NC[C@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000360230049 411107730 /nfs/dbraw/zinc/10/77/30/411107730.db2.gz LWPNGCKTUZAONB-OLZOCXBDSA-N 1 0 306.366 1.903 20 5 DDBDRO C[C@H](O)C[N@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000130782267 196109222 /nfs/dbraw/zinc/10/92/22/196109222.db2.gz KHZHTBNXSASBIW-NSHDSACASA-N 1 0 304.350 1.808 20 5 DDBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]([NH3+])C2)cc1SC ZINC000132308615 196244878 /nfs/dbraw/zinc/24/48/78/196244878.db2.gz ZCEJMPVOOPZRGQ-QMMMGPOBSA-N 1 0 311.363 1.499 20 5 DDBDRO C[C@H](NC(=O)N[C@H]1C[NH2+]CC[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000418228895 225640105 /nfs/dbraw/zinc/64/01/05/225640105.db2.gz FLWODLRBGZPHPF-SUNKGSAMSA-N 1 0 306.366 1.953 20 5 DDBDRO COC[C@@]1(C)CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000296665999 226104523 /nfs/dbraw/zinc/10/45/23/226104523.db2.gz KJOKVXOJRGIMRP-HOCLYGCPSA-N 1 0 324.377 1.693 20 5 DDBDRO COC1(C(F)(F)F)CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000419363071 226131032 /nfs/dbraw/zinc/13/10/32/226131032.db2.gz YVPDQMNWNAAFRR-UHFFFAOYSA-N 1 0 322.287 1.835 20 5 DDBDRO Cc1cc(C(=O)NCC[NH+]2CCC(O)CC2)ccc1[N+](=O)[O-] ZINC000296734553 226174566 /nfs/dbraw/zinc/17/45/66/226174566.db2.gz AEBYZLCTFWKASG-UHFFFAOYSA-N 1 0 307.350 1.090 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@@H](c3ccco3)C2)c1 ZINC000374139250 418493762 /nfs/dbraw/zinc/49/37/62/418493762.db2.gz ABKDLWAHKNDYTF-DGCLKSJQSA-N 1 0 306.322 1.235 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)n1 ZINC000191678724 222107291 /nfs/dbraw/zinc/10/72/91/222107291.db2.gz WECAAVLCWGPBQZ-NWDGAFQWSA-N 1 0 321.381 1.368 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](C)[C@@H]1CO ZINC000190378186 222076957 /nfs/dbraw/zinc/07/69/57/222076957.db2.gz HFPRSXBPTVQTSU-WFASDCNBSA-N 1 0 321.377 1.935 20 5 DDBDRO O=[N+]([O-])c1cnc(N2CC[NH+](CC3CCOCC3)CC2)s1 ZINC000192459047 222128819 /nfs/dbraw/zinc/12/88/19/222128819.db2.gz ABASFBUEIHRUPC-UHFFFAOYSA-N 1 0 312.395 1.600 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@@H]1C1CC[NH2+]CC1 ZINC000361108873 418585432 /nfs/dbraw/zinc/58/54/32/418585432.db2.gz MOLTYCJMMJGYQE-KGLIPLIRSA-N 1 0 304.350 1.416 20 5 DDBDRO C[N@@H+]1CC[C@H]2CCN(Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C[C@H]21 ZINC000375015956 418588128 /nfs/dbraw/zinc/58/81/28/418588128.db2.gz DHABDNAWXQEBJG-XHDPSFHLSA-N 1 0 318.377 1.220 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CCN(c3ccc(C(N)=O)cc3[N+](=O)[O-])C[C@H]21 ZINC000375052762 418596003 /nfs/dbraw/zinc/59/60/03/418596003.db2.gz ZLZVUUFUZYGOEC-QMTHXVAHSA-N 1 0 304.350 1.224 20 5 DDBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000375069951 418598794 /nfs/dbraw/zinc/59/87/94/418598794.db2.gz DINDJVPSDYHWID-QWRGUYRKSA-N 1 0 311.313 1.375 20 5 DDBDRO C[C@@H]1[C@H]([NH3+])CCCN1C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000297408035 227125661 /nfs/dbraw/zinc/12/56/61/227125661.db2.gz QCBRDTKXFMZVMV-VXGBXAGGSA-N 1 0 306.366 1.369 20 5 DDBDRO [NH3+][C@H]1CCC[C@@]12CCN(C(=O)c1ccc([N+](=O)[O-])c([O-])c1)C2 ZINC000367648210 418618698 /nfs/dbraw/zinc/61/86/98/418618698.db2.gz GGNKNGMSZAKUOD-ZFWWWQNUSA-N 1 0 305.334 1.644 20 5 DDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@@H]2CC[C@H](CO)O2)n1 ZINC000340411163 418623006 /nfs/dbraw/zinc/62/30/06/418623006.db2.gz DDYLXYDAFKTFCR-RFQIPJPRSA-N 1 0 324.381 1.405 20 5 DDBDRO Cc1ccc(CN(CCO)CCn2cc([N+](=O)[O-])ccc2=O)o1 ZINC000361520407 418669192 /nfs/dbraw/zinc/66/91/92/418669192.db2.gz UCDTZIVXPMKNRL-UHFFFAOYSA-N 1 0 321.333 1.152 20 5 DDBDRO C[C@H]1OCC[C@H]1[N@H+](CCO)CCOc1ccccc1[N+](=O)[O-] ZINC000361586780 418688125 /nfs/dbraw/zinc/68/81/25/418688125.db2.gz UJOCKURRZLRCRE-CHWSQXEVSA-N 1 0 310.350 1.445 20 5 DDBDRO CC[C@H]([NH2+]CCNc1cnccn1)c1cccc([N+](=O)[O-])c1 ZINC000361985291 418735308 /nfs/dbraw/zinc/73/53/08/418735308.db2.gz XUCJSIOVELUYPE-AWEZNQCLSA-N 1 0 301.350 2.538 20 5 DDBDRO COCc1cccc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000390921666 418756700 /nfs/dbraw/zinc/75/67/00/418756700.db2.gz HSEXDCKVRNJPID-HNNXBMFYSA-N 1 0 320.349 1.088 20 5 DDBDRO O=C(N[C@@H]1CCC[NH2+]CC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000372439598 418869626 /nfs/dbraw/zinc/86/96/26/418869626.db2.gz MUBNSPGZTUVQPU-SNVBAGLBSA-N 1 0 308.294 1.375 20 5 DDBDRO NC(=O)c1ccc(C[NH2+][C@@H]2CCO[C@@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000372810276 418904153 /nfs/dbraw/zinc/90/41/53/418904153.db2.gz PBVVIWYAFSAWSJ-TZMCWYRMSA-N 1 0 305.334 1.351 20 5 DDBDRO C[NH+](C)[C@H]1CCCN(c2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000365227572 418843389 /nfs/dbraw/zinc/84/33/89/418843389.db2.gz FZFNNUSTHWYIMC-NSHDSACASA-N 1 0 304.354 1.558 20 5 DDBDRO O=C(CC[N@H+]1CCC[C@@H]1CCO)Nc1ccc([N+](=O)[O-])cc1 ZINC000411567113 419346709 /nfs/dbraw/zinc/34/67/09/419346709.db2.gz IUQOTEKZTCMPIP-CYBMUJFWSA-N 1 0 307.350 1.770 20 5 DDBDRO CN(C(=O)C[N@@H+]1CCC[C@@H]1CCO)c1ccc([N+](=O)[O-])cc1 ZINC000426220769 419411748 /nfs/dbraw/zinc/41/17/48/419411748.db2.gz SZQQOKRWRSKUSJ-CYBMUJFWSA-N 1 0 307.350 1.404 20 5 DDBDRO COC(=O)[C@H]1CN(Cc2cccc([N+](=O)[O-])c2)CC[N@H+](C)C1 ZINC000411915477 419484282 /nfs/dbraw/zinc/48/42/82/419484282.db2.gz ZHEDROKJBCKGPO-CYBMUJFWSA-N 1 0 307.350 1.131 20 5 DDBDRO C[C@@H](NC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1[N+](=O)[O-] ZINC000417978158 419442324 /nfs/dbraw/zinc/44/23/24/419442324.db2.gz HTKRMFIOJVESCA-UTUOFQBUSA-N 1 0 304.350 1.517 20 5 DDBDRO CC(C)[N@H+](C)C[C@H](C)NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000426799643 419550286 /nfs/dbraw/zinc/55/02/86/419550286.db2.gz LPHPESPCPLEAQY-LBPRGKRZSA-N 1 0 308.382 1.852 20 5 DDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCc2nnnn2CC1 ZINC000421400143 419596054 /nfs/dbraw/zinc/59/60/54/419596054.db2.gz RQAMCTQAJCFNEF-WCQYABFASA-N 1 0 316.365 1.507 20 5 DDBDRO COC(=O)[C@@H]1CSCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000412088474 419644456 /nfs/dbraw/zinc/64/44/56/419644456.db2.gz WSENGSQXTKWRBH-LBPRGKRZSA-N 1 0 310.375 1.933 20 5 DDBDRO CC(C)(NC(=O)N[C@@H]1CCC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000418373362 419750847 /nfs/dbraw/zinc/75/08/47/419750847.db2.gz BQRMWOBONGKWSG-GFCCVEGCSA-N 1 0 306.366 1.881 20 5 DDBDRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000427968833 419778524 /nfs/dbraw/zinc/77/85/24/419778524.db2.gz VHDAEBSRGVCDHV-FZMZJTMJSA-N 1 0 319.361 1.514 20 5 DDBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000418414512 419785947 /nfs/dbraw/zinc/78/59/47/419785947.db2.gz ZWHAPMYHCOHVCX-AWEZNQCLSA-N 1 0 306.366 1.516 20 5 DDBDRO CN(Cc1ncc[nH]1)c1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000428109477 419812613 /nfs/dbraw/zinc/81/26/13/419812613.db2.gz XBJXVTKUPNCTQI-UHFFFAOYSA-N 1 0 315.333 1.847 20 5 DDBDRO Cc1cc(OCC(=O)N(C)CC[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000431644046 229048366 /nfs/dbraw/zinc/04/83/66/229048366.db2.gz GLBPECMQNMYAGS-UHFFFAOYSA-N 1 0 321.377 1.836 20 5 DDBDRO CCC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)CC(N)=O ZINC000429143336 419975049 /nfs/dbraw/zinc/97/50/49/419975049.db2.gz OYFDZDUHOSQZIN-UHFFFAOYSA-N 1 0 322.365 1.429 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[NH2+][C@@H](C)[C@@H]1C ZINC000436059842 229446281 /nfs/dbraw/zinc/44/62/81/229446281.db2.gz LVTUKMPBCIIGQE-STQMWFEESA-N 1 0 320.393 1.914 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NC(C)(C)C[NH3+] ZINC000415378062 420041960 /nfs/dbraw/zinc/04/19/60/420041960.db2.gz GYWLZDOAZHGZMV-UHFFFAOYSA-N 1 0 308.338 1.004 20 5 DDBDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000429770334 420045266 /nfs/dbraw/zinc/04/52/66/420045266.db2.gz FJKNWLRGAXBMCO-GHMZBOCLSA-N 1 0 320.349 1.038 20 5 DDBDRO COc1cc(C(=O)N2C[C@H](C[NH3+])C[C@@H]2C)cc([N+](=O)[O-])c1C ZINC000423462095 420055400 /nfs/dbraw/zinc/05/54/00/420055400.db2.gz KHJRFSCKWPKUSE-ONGXEEELSA-N 1 0 307.350 1.721 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000415507142 420095133 /nfs/dbraw/zinc/09/51/33/420095133.db2.gz SMUZFLCAJLAZIJ-WDEREUQCSA-N 1 0 320.349 1.677 20 5 DDBDRO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N[C@H]1C[NH2+]CCC1(F)F ZINC000415632677 420131724 /nfs/dbraw/zinc/13/17/24/420131724.db2.gz OZAUDQCYSPOUCN-JTQLQIEISA-N 1 0 318.255 1.853 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2C[NH2+]CC[C@H]2C)c1 ZINC000423544329 420078417 /nfs/dbraw/zinc/07/84/17/420078417.db2.gz IRGBDFICVGYNDK-MFKMUULPSA-N 1 0 307.350 1.721 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000415501507 420091636 /nfs/dbraw/zinc/09/16/36/420091636.db2.gz MRGAKJWGACCWOZ-NXEZZACHSA-N 1 0 308.338 1.865 20 5 DDBDRO C[NH2+]C[C@@H]1CCN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000430915443 420202247 /nfs/dbraw/zinc/20/22/47/420202247.db2.gz CXQYWYUWIZYKLJ-OLZOCXBDSA-N 1 0 320.393 1.772 20 5 DDBDRO Cc1c(NC(=O)C(=O)N[C@H]2CCCC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000415873906 420204697 /nfs/dbraw/zinc/20/46/97/420204697.db2.gz VTDBGHNCJWCMFC-NSHDSACASA-N 1 0 320.349 1.100 20 5 DDBDRO C[NH2+]C1CCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000430930053 420210380 /nfs/dbraw/zinc/21/03/80/420210380.db2.gz RJFJFJUHBKALEE-NSHDSACASA-N 1 0 306.366 1.606 20 5 DDBDRO COc1cc(C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)cc([N+](=O)[O-])c1C ZINC000423745067 420154355 /nfs/dbraw/zinc/15/43/55/420154355.db2.gz NKYNTDRCRBBCOH-ZYHUDNBSSA-N 1 0 307.350 1.769 20 5 DDBDRO COc1cc(C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)cc([N+](=O)[O-])c1C ZINC000423745064 420154727 /nfs/dbraw/zinc/15/47/27/420154727.db2.gz NKYNTDRCRBBCOH-CMPLNLGQSA-N 1 0 307.350 1.769 20 5 DDBDRO COc1cc(C(=O)N[C@H]2CC[C@H](C[NH3+])C2)cc([N+](=O)[O-])c1C ZINC000423745065 420155606 /nfs/dbraw/zinc/15/56/06/420155606.db2.gz NKYNTDRCRBBCOH-JQWIXIFHSA-N 1 0 307.350 1.769 20 5 DDBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC[C@@H](C[NH3+])C1 ZINC000430633302 420164669 /nfs/dbraw/zinc/16/46/69/420164669.db2.gz ZRJDFWKFPNSUCL-RYUDHWBXSA-N 1 0 306.366 1.593 20 5 DDBDRO Cc1c(NC(=O)[C@H](C)N2CCC(C[NH3+])CC2)cccc1[N+](=O)[O-] ZINC000430639061 420167843 /nfs/dbraw/zinc/16/78/43/420167843.db2.gz HDPPIRUZPXGQPD-LBPRGKRZSA-N 1 0 320.393 1.901 20 5 DDBDRO CN(C(=O)CN1CCCC[C@@H]1C[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000430648488 420170122 /nfs/dbraw/zinc/17/01/22/420170122.db2.gz ZGSBBAFQVGEADH-CQSZACIVSA-N 1 0 306.366 1.371 20 5 DDBDRO [NH3+]C[C@@H]1CCCCN1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000430665869 420174150 /nfs/dbraw/zinc/17/41/50/420174150.db2.gz NHUQPTYJPPCQMN-AWEZNQCLSA-N 1 0 318.377 1.297 20 5 DDBDRO C[C@@H]1CN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC[C@H]1[NH3+] ZINC000430960911 420224684 /nfs/dbraw/zinc/22/46/84/420224684.db2.gz AMWQVFKBKOPXOY-ZWNOBZJWSA-N 1 0 317.349 1.814 20 5 DDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420382016 420250457 /nfs/dbraw/zinc/25/04/57/420250457.db2.gz PKOALTIUWNKQKX-UPJWGTAASA-N 1 0 320.393 1.839 20 5 DDBDRO NC(=O)c1cccc([N+](=O)[O-])c1NC1CC[NH+](CC2CC2)CC1 ZINC000420587666 420324268 /nfs/dbraw/zinc/32/42/68/420324268.db2.gz QHEYQXWQRMAIDX-UHFFFAOYSA-N 1 0 318.377 1.980 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[NH2+][C@H](C)[C@@H]1C ZINC000436055353 420304872 /nfs/dbraw/zinc/30/48/72/420304872.db2.gz BDNUFQATLMOHKF-NEPJUHHUSA-N 1 0 306.366 1.524 20 5 DDBDRO CN(C[C@H]1CCC[N@@H+]1C)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000420741558 420374608 /nfs/dbraw/zinc/37/46/08/420374608.db2.gz STYGWEXVPBHEDW-LLVKDONJSA-N 1 0 313.379 1.310 20 5 DDBDRO Cc1ccc(S(=O)(=O)NC(C)(C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000416506477 420400309 /nfs/dbraw/zinc/40/03/09/420400309.db2.gz GLBNZJBPMRROBJ-UHFFFAOYSA-N 1 0 315.395 1.522 20 5 DDBDRO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000443808465 230031393 /nfs/dbraw/zinc/03/13/93/230031393.db2.gz YCYCURYCYMCSEJ-LBPRGKRZSA-N 1 0 322.365 1.250 20 5 DDBDRO O=C([C@@H]1C[C@@]12CC[NH2+]C2)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000444119757 230050234 /nfs/dbraw/zinc/05/02/34/230050234.db2.gz BQWIMWAEKDONKQ-GOEBONIOSA-N 1 0 301.346 1.479 20 5 DDBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@H](n2ccnn2)C1 ZINC000425505705 420403526 /nfs/dbraw/zinc/40/35/26/420403526.db2.gz YWKLQIDLLTXKEO-ZDUSSCGKSA-N 1 0 317.349 1.902 20 5 DDBDRO C[C@@H](C[NH3+])CNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000441621384 420658725 /nfs/dbraw/zinc/65/87/25/420658725.db2.gz IBAQPSVYPVEAKN-ZETCQYMHSA-N 1 0 316.155 1.682 20 5 DDBDRO Cc1noc(CC[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)n1 ZINC000447579937 420783849 /nfs/dbraw/zinc/78/38/49/420783849.db2.gz MNDDHEJLDUTTMX-RYUDHWBXSA-N 1 0 320.353 1.799 20 5 DDBDRO O=C(NC[C@H]1CCC[N@H+]1CCCO)Nc1cccc([N+](=O)[O-])c1 ZINC000454150248 420807278 /nfs/dbraw/zinc/80/72/78/420807278.db2.gz QJVRXOKNIPOJBV-CQSZACIVSA-N 1 0 322.365 1.563 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NCC[NH+]1CCCC1 ZINC000448601280 420868348 /nfs/dbraw/zinc/86/83/48/420868348.db2.gz RMDGXUCNJVHNFN-UHFFFAOYSA-N 1 0 307.350 1.819 20 5 DDBDRO C[C@@H](C[N@H+](C)CCn1cc([N+](=O)[O-])cn1)C(=O)OC(C)(C)C ZINC000459803599 420878112 /nfs/dbraw/zinc/87/81/12/420878112.db2.gz JYQDBDVVDOSTBT-NSHDSACASA-N 1 0 312.370 1.701 20 5 DDBDRO CNc1nc(C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000455769098 421060134 /nfs/dbraw/zinc/06/01/34/421060134.db2.gz YUSJAPJMERAGML-NXEZZACHSA-N 1 0 307.354 1.244 20 5 DDBDRO C[C@@H]([NH3+])[C@H](C)NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000449594000 421034381 /nfs/dbraw/zinc/03/43/81/421034381.db2.gz WRDNPKYSHVGMKX-BDAKNGLRSA-N 1 0 315.757 1.869 20 5 DDBDRO [NH3+]CC[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)C(F)F ZINC000449622890 421040108 /nfs/dbraw/zinc/04/01/08/421040108.db2.gz KUZVWHDTBDAXFI-JTQLQIEISA-N 1 0 321.711 1.889 20 5 DDBDRO C[NH+](C)CCCC(C)(C)NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000456172377 421113507 /nfs/dbraw/zinc/11/35/07/421113507.db2.gz PKZQBMAGXMXVOI-UHFFFAOYSA-N 1 0 310.354 1.546 20 5 DDBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000449740531 421070552 /nfs/dbraw/zinc/07/05/52/421070552.db2.gz PKNHMHCZBVIVSE-RISCZKNCSA-N 1 0 304.350 1.217 20 5 DDBDRO CC[C@H]([NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)NC ZINC000449773605 421079285 /nfs/dbraw/zinc/07/92/85/421079285.db2.gz KKIITDFVVHGOAV-GWCFXTLKSA-N 1 0 322.365 1.426 20 5 DDBDRO C[NH+](C)CCN(Cc1ccccn1)c1ccc([N+](=O)[O-])nc1 ZINC000450389557 421192133 /nfs/dbraw/zinc/19/21/33/421192133.db2.gz JYXNQOWULMFLRX-UHFFFAOYSA-N 1 0 301.350 1.953 20 5 DDBDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000523285001 421233265 /nfs/dbraw/zinc/23/32/65/421233265.db2.gz PULOYRUZHBJPOQ-LBPRGKRZSA-N 1 0 323.397 1.373 20 5 DDBDRO COc1ccc(C(=O)NCC[N@@H+]2CC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000525293088 421287624 /nfs/dbraw/zinc/28/76/24/421287624.db2.gz WHMPMZQFESVUTB-NSHDSACASA-N 1 0 307.350 1.675 20 5 DDBDRO CO[C@H](C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000562998232 421436471 /nfs/dbraw/zinc/43/64/71/421436471.db2.gz CXQSQLOKPYPIEJ-DZGCQCFKSA-N 1 0 310.350 1.349 20 5 DDBDRO CO[C@@H]1COC[C@H]1[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000563535184 421517828 /nfs/dbraw/zinc/51/78/28/421517828.db2.gz PSZHKZCGNBMOKY-ZLKJLUDKSA-N 1 0 323.349 1.315 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H]1C[C@@H](O)C1(C)C ZINC000517244871 421604456 /nfs/dbraw/zinc/60/44/56/421604456.db2.gz NKLUJUQDKSVKTC-VXGBXAGGSA-N 1 0 307.350 1.591 20 5 DDBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000531634631 421641156 /nfs/dbraw/zinc/64/11/56/421641156.db2.gz BSILMQBNOYCVHL-RISCZKNCSA-N 1 0 306.366 1.792 20 5 DDBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000531634750 421642086 /nfs/dbraw/zinc/64/20/86/421642086.db2.gz JOTPWECCMASVLG-NWDGAFQWSA-N 1 0 306.366 1.935 20 5 DDBDRO CCc1ccc(S(=O)(=O)NC[C@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000519646335 421712888 /nfs/dbraw/zinc/71/28/88/421712888.db2.gz BCGVARLKJRHRBL-LBPRGKRZSA-N 1 0 315.395 1.419 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N(C)C[C@H]2CCC[N@H+](C)C2)n1 ZINC000519666052 421715495 /nfs/dbraw/zinc/71/54/95/421715495.db2.gz YMAOHAFMFXDKEC-NSHDSACASA-N 1 0 322.365 1.554 20 5 DDBDRO CCCC[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])cn2C)CC1 ZINC000520272364 421744746 /nfs/dbraw/zinc/74/47/46/421744746.db2.gz BWLWNYCKHGGRHF-UHFFFAOYSA-N 1 0 308.382 1.928 20 5 DDBDRO C[C@H](CCCC[NH3+])NC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000520547222 421755689 /nfs/dbraw/zinc/75/56/89/421755689.db2.gz VHPVOKPDCZMKQK-GFCCVEGCSA-N 1 0 324.381 1.790 20 5 DDBDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)c3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000572672816 421810826 /nfs/dbraw/zinc/81/08/26/421810826.db2.gz NKAVBRHCTMFOMV-HNNXBMFYSA-N 1 0 304.350 1.548 20 5 DDBDRO Cc1cc(S(=O)(=O)NC[C@@H]([NH3+])C(C)C)c(C)cc1[N+](=O)[O-] ZINC000572379943 421783072 /nfs/dbraw/zinc/78/30/72/421783072.db2.gz UVIYNTQIEBDJLO-LLVKDONJSA-N 1 0 315.395 1.473 20 5 DDBDRO CC[N@@H+]1CCC[C@@H](Nc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C1 ZINC000587415713 422313829 /nfs/dbraw/zinc/31/38/29/422313829.db2.gz CXVPGNLHSLTFFC-SNVBAGLBSA-N 1 0 317.349 2.140 20 5 DDBDRO Nc1ccc(NC[C@H]2CCC[N@H+](CC3CC3)C2)nc1[N+](=O)[O-] ZINC000596569632 422380815 /nfs/dbraw/zinc/38/08/15/422380815.db2.gz ALUCPJIEJRPVRY-GFCCVEGCSA-N 1 0 305.382 2.106 20 5 DDBDRO CC[NH+]1CCC(CNC(=O)c2c([N+](=O)[O-])c(C)nn2C)CC1 ZINC000579144514 422716653 /nfs/dbraw/zinc/71/66/53/422716653.db2.gz FGDDRZJEJPMQOB-UHFFFAOYSA-N 1 0 309.370 1.098 20 5 DDBDRO COc1ccc(C[NH2+]C2(C(N)=O)CCCCC2)cc1[N+](=O)[O-] ZINC000088545590 263333485 /nfs/dbraw/zinc/33/34/85/263333485.db2.gz KKNVSTJOMYRUPZ-UHFFFAOYSA-N 1 0 307.350 1.881 20 5 DDBDRO CCCC[C@H]([NH3+])C(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000236844745 263559977 /nfs/dbraw/zinc/55/99/77/263559977.db2.gz ATDLGIXSIDFWDK-LBPRGKRZSA-N 1 0 309.322 1.837 20 5 DDBDRO C[C@H]1CN(C(=O)c2c([N+](=O)[O-])cnn2C)CC[N@@H+](C2CCC2)C1 ZINC000344732966 272103959 /nfs/dbraw/zinc/10/39/59/272103959.db2.gz ULVQEXCAVYWYKK-LLVKDONJSA-N 1 0 321.381 1.275 20 5 DDBDRO [NH3+][C@H](CC(F)F)C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000345747592 272323255 /nfs/dbraw/zinc/32/32/55/272323255.db2.gz AVIZUDLMJVNHOT-SNVBAGLBSA-N 1 0 302.281 1.105 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N1CC([NH+](C)C)C1 ZINC000277739561 274000850 /nfs/dbraw/zinc/00/08/50/274000850.db2.gz IMLNTDMUQQJKSF-UHFFFAOYSA-N 1 0 313.741 1.785 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)c1 ZINC000450780244 274004705 /nfs/dbraw/zinc/00/47/05/274004705.db2.gz PVVFIYBQCVVQKV-SMDDNHRTSA-N 1 0 305.334 1.522 20 5 DDBDRO O=[N+]([O-])c1ccc2c(ccnc2N2CCC[N@@H+](CCO)CC2)c1 ZINC000450319525 275038636 /nfs/dbraw/zinc/03/86/36/275038636.db2.gz ZAOGTPNAOBLWTO-UHFFFAOYSA-N 1 0 316.361 1.647 20 5 DDBDRO CC[N@@H+]1CC[C@@H]2OCCN(Cc3csc([N+](=O)[O-])c3)[C@H]2C1 ZINC000339396123 276220871 /nfs/dbraw/zinc/22/08/71/276220871.db2.gz TWECKCWIRXRMQP-STQMWFEESA-N 1 0 311.407 1.951 20 5 DDBDRO C[NH2+]CCCNC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000418281844 277268070 /nfs/dbraw/zinc/26/80/70/277268070.db2.gz VYGBIKQZDRJKKZ-UHFFFAOYSA-N 1 0 321.381 1.036 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)CN1CCOCC1 ZINC000449080993 279382760 /nfs/dbraw/zinc/38/27/60/279382760.db2.gz AVYIYPGAKZDXJQ-ZIAGYGMSSA-N 1 0 307.394 1.836 20 5 DDBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3ccc(CO)o3)C2)nc1 ZINC000093534484 281042726 /nfs/dbraw/zinc/04/27/26/281042726.db2.gz NAVCLDYHJCGNIY-NSHDSACASA-N 1 0 318.333 1.762 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H](CC(C)C)[NH+](C)C ZINC000128075485 281297592 /nfs/dbraw/zinc/29/75/92/281297592.db2.gz ZBBQDZHTEHMZCP-LBPRGKRZSA-N 1 0 311.386 1.192 20 5 DDBDRO C[C@@H]1[NH2+]CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])[C@H]1C ZINC000262813927 288859638 /nfs/dbraw/zinc/85/96/38/288859638.db2.gz YUXOUTFNGYVMES-IUCAKERBSA-N 1 0 317.342 1.105 20 5 DDBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2c2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000290732632 290175397 /nfs/dbraw/zinc/17/53/97/290175397.db2.gz GCQVBDUUNXUHKH-CMPLNLGQSA-N 1 0 319.365 1.009 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H](C)[C@@H]1CCOC1 ZINC000162737549 298201756 /nfs/dbraw/zinc/20/17/56/298201756.db2.gz FWQJGMNMVNNYPT-VXGBXAGGSA-N 1 0 307.350 1.856 20 5 DDBDRO Cc1ccc(NC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000354669445 298494112 /nfs/dbraw/zinc/49/41/12/298494112.db2.gz IDHCEOUTXXFDJA-LBPRGKRZSA-N 1 0 320.349 1.100 20 5 DDBDRO COc1ccc(C(=O)N2CC[C@@H]3CC[N@H+](C)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000362287588 300044370 /nfs/dbraw/zinc/04/43/70/300044370.db2.gz OKAYVEIMXGJVHB-SMDDNHRTSA-N 1 0 319.361 1.770 20 5 DDBDRO COCCO[C@H]1COCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000362506478 300081214 /nfs/dbraw/zinc/08/12/14/300081214.db2.gz AYGQQSIMSPFXIA-CVEARBPZSA-N 1 0 324.377 1.813 20 5 DDBDRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)Nc1cccc([N+](=O)[O-])c1 ZINC000363094695 300209357 /nfs/dbraw/zinc/20/93/57/300209357.db2.gz HJUNASPVYGGADS-UONOGXRCSA-N 1 0 320.349 1.580 20 5 DDBDRO CCC(=O)N1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000363435614 300266743 /nfs/dbraw/zinc/26/67/43/300266743.db2.gz VQBRZRMAKXNHAG-UHFFFAOYSA-N 1 0 321.377 1.918 20 5 DDBDRO O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000365330345 300499993 /nfs/dbraw/zinc/49/99/93/300499993.db2.gz YFUZAULVBIPMQH-GRJAPKLVSA-N 1 0 301.346 1.818 20 5 DDBDRO COc1ccc(C[NH2+][C@@H]2CCC(=O)N[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000367062031 300794931 /nfs/dbraw/zinc/79/49/31/300794931.db2.gz JESCTCWKCPULCO-WBMJQRKESA-N 1 0 319.361 1.750 20 5 DDBDRO C[C@@H](c1ccccc1)[C@@H](O)C[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000574912021 304696924 /nfs/dbraw/zinc/69/69/24/304696924.db2.gz MIOLFICQGGIFCV-WFASDCNBSA-N 1 0 304.350 1.546 20 5 DDBDRO CC[C@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)C[C@]2(CCCOC2)O1 ZINC000369535744 301195993 /nfs/dbraw/zinc/19/59/93/301195993.db2.gz CDAZQCPDSRIJDA-ZFWWWQNUSA-N 1 0 324.381 1.451 20 5 DDBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])cnc3N)CC[C@H]21 ZINC000369981750 301251341 /nfs/dbraw/zinc/25/13/41/301251341.db2.gz CYMBKKKSLFGHQJ-ZWNOBZJWSA-N 1 0 319.365 1.128 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](C)[C@H](C)[NH3+])c1C ZINC000420450661 301859623 /nfs/dbraw/zinc/85/96/23/301859623.db2.gz YOUBATWYVUFSCT-UWVGGRQHSA-N 1 0 301.368 1.226 20 5 DDBDRO C[C@@H]1COCC[C@H]1C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000521864913 302881505 /nfs/dbraw/zinc/88/15/05/302881505.db2.gz KMZYWCKCGUJREK-HZSPNIEDSA-N 1 0 324.377 1.597 20 5 DDBDRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531882867 303263206 /nfs/dbraw/zinc/26/32/06/303263206.db2.gz TYSJVOLNDDNDGX-CYBMUJFWSA-N 1 0 322.365 1.173 20 5 DDBDRO O=C(c1c[nH]nc1[N+](=O)[O-])N1CCC([NH+]2CCCCC2)CC1 ZINC000548413847 303588200 /nfs/dbraw/zinc/58/82/00/303588200.db2.gz ABYINPWPGXUPFA-UHFFFAOYSA-N 1 0 307.354 1.408 20 5 DDBDRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000558732704 303781761 /nfs/dbraw/zinc/78/17/61/303781761.db2.gz SAWVJSBYYXJRRP-LBPRGKRZSA-N 1 0 317.349 1.221 20 5 DDBDRO CN(C(=O)C[NH2+][C@H]1CCO[C@H]1C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000365192360 307061431 /nfs/dbraw/zinc/06/14/31/307061431.db2.gz QDGGGWRJKDTQFJ-HOCLYGCPSA-N 1 0 319.361 1.715 20 5 DDBDRO CCOc1ccc(C(=O)N[C@H]2CC23CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000366573440 307076528 /nfs/dbraw/zinc/07/65/28/307076528.db2.gz SVSFFOSXILCYCN-AWEZNQCLSA-N 1 0 319.361 1.865 20 5 DDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]2C[NH2+]CCC[C@H]21 ZINC000367654448 307100377 /nfs/dbraw/zinc/10/03/77/307100377.db2.gz WOTQXLMBWBEPCB-XHDPSFHLSA-N 1 0 318.377 1.781 20 5 DDBDRO NC(=O)c1cc([N+](=O)[O-])cnc1NC1CC([NH+]2CCCCC2)C1 ZINC000369557807 307124088 /nfs/dbraw/zinc/12/40/88/307124088.db2.gz WVXUDAGJIWKGHX-UHFFFAOYSA-N 1 0 319.365 1.518 20 5 DDBDRO O=C(COc1ccccc1[N+](=O)[O-])N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000373938682 307198220 /nfs/dbraw/zinc/19/82/20/307198220.db2.gz OGZYIQHHQBBERN-QWHCGFSZSA-N 1 0 319.361 1.717 20 5 DDBDRO Cc1nn(C)c(C(=O)N2CCC3(CCC[N@@H+]3C)CC2)c1[N+](=O)[O-] ZINC000375203073 307218503 /nfs/dbraw/zinc/21/85/03/307218503.db2.gz TXFDLFCQQUYIMF-UHFFFAOYSA-N 1 0 321.381 1.337 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000376570244 307248182 /nfs/dbraw/zinc/24/81/82/307248182.db2.gz SQIINZYZULKSMD-WCQYABFASA-N 1 0 321.381 1.185 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cccc([N+](=O)[O-])c3F)C[C@@H]21 ZINC000376662929 307252454 /nfs/dbraw/zinc/25/24/54/307252454.db2.gz DANQRIJTORCLAL-MFKMUULPSA-N 1 0 307.325 1.900 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000378489998 307289503 /nfs/dbraw/zinc/28/95/03/307289503.db2.gz CEJKPQKVTXHWNH-BXUZGUMPSA-N 1 0 304.350 1.464 20 5 DDBDRO COc1ccc(CC(=O)NC[C@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000557467810 307872652 /nfs/dbraw/zinc/87/26/52/307872652.db2.gz XGQQQYFKBNGYKF-NSHDSACASA-N 1 0 309.366 1.460 20 5 DDBDRO COc1ccc(F)cc1C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000563707479 307979673 /nfs/dbraw/zinc/97/96/73/307979673.db2.gz OWUIZVILNHJOEY-ZDUSSCGKSA-N 1 0 324.312 1.090 20 5 DDBDRO C[C@@H]1COCCN1CC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000566571513 308057810 /nfs/dbraw/zinc/05/78/10/308057810.db2.gz DJCNXRKWUOOYRW-IUODEOHRSA-N 1 0 305.378 1.892 20 5 DDBDRO [NH3+]C[C@@H](NC(=O)NCc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000566845096 308064684 /nfs/dbraw/zinc/06/46/84/308064684.db2.gz NZMIOZKFBMRCAS-CQSZACIVSA-N 1 0 306.366 1.912 20 5 DDBDRO CC[C@](C)(C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])OC ZINC000576150638 308292512 /nfs/dbraw/zinc/29/25/12/308292512.db2.gz WIKJJVHAMHLPCS-IUODEOHRSA-N 1 0 312.366 1.739 20 5 DDBDRO Cc1ccc(F)c(CC[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000577172507 308367724 /nfs/dbraw/zinc/36/77/24/308367724.db2.gz XMGITIIHADXUMG-AWEZNQCLSA-N 1 0 322.340 1.432 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H]1C[C@@H](O)C1(C)C ZINC000577742699 308411196 /nfs/dbraw/zinc/41/11/96/308411196.db2.gz DGFIWRXPWGPZIP-QWHCGFSZSA-N 1 0 307.350 1.591 20 5 DDBDRO COc1ccc(CC(=O)NCC[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000584112236 331795001 /nfs/dbraw/zinc/79/50/01/331795001.db2.gz WEUWDONSZUFAGJ-LLVKDONJSA-N 1 0 307.350 1.262 20 5 DDBDRO CC(=O)N1CC([NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000583703536 337092201 /nfs/dbraw/zinc/09/22/01/337092201.db2.gz AKJOPORSDRFWTR-QWHCGFSZSA-N 1 0 307.354 1.095 20 5 DDBDRO Cc1cc(S(=O)(=O)N[C@H](C[NH3+])C2CC2)c(C)cc1[N+](=O)[O-] ZINC000582498535 337102650 /nfs/dbraw/zinc/10/26/50/337102650.db2.gz PNPFBNBHKCEMCP-LLVKDONJSA-N 1 0 313.379 1.227 20 5 DDBDRO CC(C)OC[C@@H](O)C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000493796298 484239553 /nfs/dbraw/zinc/23/95/53/484239553.db2.gz OTSKTBCHCUMZAA-JSGCOSHPSA-N 1 0 324.381 1.262 20 5 DDBDRO CCCC[C@@H](C[NH3+])NS(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000150321334 500586464 /nfs/dbraw/zinc/58/64/64/500586464.db2.gz ZNKPZBUPRRXVHJ-NSHDSACASA-N 1 0 315.395 1.699 20 5 DDBDRO Cc1c(CC(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)cccc1[N+](=O)[O-] ZINC000422770833 533830575 /nfs/dbraw/zinc/83/05/75/533830575.db2.gz WTMPWUZGGZOPKI-PBWFPOADSA-N 1 0 303.362 1.845 20 5 DDBDRO C[C@H]([NH2+]CCN1C(=O)N[C@@H](C)C1=O)c1ccccc1[N+](=O)[O-] ZINC000459388965 533856920 /nfs/dbraw/zinc/85/69/20/533856920.db2.gz PSVNFUORNZGMML-UWVGGRQHSA-N 1 0 306.322 1.186 20 5 DDBDRO Cc1ccc(NC(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000332229688 534182476 /nfs/dbraw/zinc/18/24/76/534182476.db2.gz NZIDABJYORGGTM-NWDGAFQWSA-N 1 0 304.350 1.976 20 5 DDBDRO Cc1ccc(S(=O)(=O)NC[C@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000292537487 534210926 /nfs/dbraw/zinc/21/09/26/534210926.db2.gz GSNKYQLUVYQPMX-JTQLQIEISA-N 1 0 315.395 1.379 20 5 DDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCN(C)C(=O)C1 ZINC000424330980 534253989 /nfs/dbraw/zinc/25/39/89/534253989.db2.gz SLDOMURDOGYUMB-QWHCGFSZSA-N 1 0 305.378 1.984 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@H](C)[C@H]([NH+](C)C)C1 ZINC000330637733 534339222 /nfs/dbraw/zinc/33/92/22/534339222.db2.gz CLBSXVQOFNXLGQ-SWLSCSKDSA-N 1 0 320.393 1.724 20 5 DDBDRO [NH3+]CCCNC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000418315924 534612839 /nfs/dbraw/zinc/61/28/39/534612839.db2.gz WCFYLUMRBFQWBH-ZDUSSCGKSA-N 1 0 306.366 1.833 20 5 DDBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCC[NH+]1CCC(O)CC1 ZINC000296772207 534776838 /nfs/dbraw/zinc/77/68/38/534776838.db2.gz CIJJXYXBIAKWFK-ZZXKWVIFSA-N 1 0 319.361 1.181 20 5 DDBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000158289445 527037600 /nfs/dbraw/zinc/03/76/00/527037600.db2.gz GHFQYOBRYFAACT-OAHLLOKOSA-N 1 0 321.402 1.899 20 5 DDBDRO CCC[C@@H]1CN(c2ncc([N+](=O)[O-])c(C)n2)CC[N@@H+]1CCOC ZINC000297400121 527789414 /nfs/dbraw/zinc/78/94/14/527789414.db2.gz FSYMEAUFNUHXDP-CYBMUJFWSA-N 1 0 323.397 1.630 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000422832009 528692653 /nfs/dbraw/zinc/69/26/53/528692653.db2.gz XHBPNBUILYIJAG-PHIMTYICSA-N 1 0 307.350 1.816 20 5 DDBDRO CC(C)[C@H]([NH3+])CNC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000418404164 529056258 /nfs/dbraw/zinc/05/62/58/529056258.db2.gz JYZMABURJJNXIV-CYBMUJFWSA-N 1 0 322.365 1.482 20 5 DDBDRO CC[NH+](CC)CCO[C@H]1CCN(Cn2cc([N+](=O)[O-])cn2)C1 ZINC000747470701 700071950 /nfs/dbraw/zinc/07/19/50/700071950.db2.gz OTHTZJMMISPNIH-AWEZNQCLSA-N 1 0 311.386 1.182 20 5 DDBDRO CCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000071312704 696391663 /nfs/dbraw/zinc/39/16/63/696391663.db2.gz NSXBWEYWCSHCBF-GFCCVEGCSA-N 1 0 313.379 1.276 20 5 DDBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1cccc(C(N)=O)c1 ZINC000747959451 700093323 /nfs/dbraw/zinc/09/33/23/700093323.db2.gz PENHVFZKKZEDSV-UHFFFAOYSA-N 1 0 303.322 1.022 20 5 DDBDRO CN(Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1CCOC1 ZINC000106857505 696628158 /nfs/dbraw/zinc/62/81/58/696628158.db2.gz AJDQAEOUNXVCRK-CYBMUJFWSA-N 1 0 303.322 1.532 20 5 DDBDRO [NH3+][C@H]1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000125077009 696749395 /nfs/dbraw/zinc/74/93/95/696749395.db2.gz OJJXENMRXHXAOA-DTWKUNHWSA-N 1 0 317.342 1.282 20 5 DDBDRO COC(=O)[C@H](C)C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153920812 696923957 /nfs/dbraw/zinc/92/39/57/696923957.db2.gz WOEMMHMHEKODFY-ABAIWWIYSA-N 1 0 322.361 1.902 20 5 DDBDRO C[C@H]1CCC[N@@H+]1CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000780868833 698566519 /nfs/dbraw/zinc/56/65/19/698566519.db2.gz ZNGIGURVMPBJPD-NSHDSACASA-N 1 0 313.379 1.357 20 5 DDBDRO NC(=O)c1ccc(CN2CC[C@@]3(CCC[NH2+]3)C2)c([N+](=O)[O-])c1 ZINC000420402949 699139382 /nfs/dbraw/zinc/13/93/82/699139382.db2.gz MNRFAHIMXHIWMC-HNNXBMFYSA-N 1 0 304.350 1.022 20 5 DDBDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2cc([N+](=O)[O-])ccc2N)C[C@H]1C ZINC000787187632 699194907 /nfs/dbraw/zinc/19/49/07/699194907.db2.gz TUFJOXFXHPPYAT-MNOVXSKESA-N 1 0 306.366 1.732 20 5 DDBDRO COC(=O)[C@@H]1CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000787326595 699206341 /nfs/dbraw/zinc/20/63/41/699206341.db2.gz IMCGWWXDCBCSOX-ZLKJLUDKSA-N 1 0 308.334 1.512 20 5 DDBDRO CC(C)(C[NH2+]Cc1csc([N+](=O)[O-])c1)CS(C)(=O)=O ZINC000723884059 699322868 /nfs/dbraw/zinc/32/28/68/699322868.db2.gz VMHYCWUMRBBLCQ-UHFFFAOYSA-N 1 0 306.409 1.817 20 5 DDBDRO Cc1cc(C(=O)N[C@@H]2CCC[C@H]2[NH+](C)C)c(N)c([N+](=O)[O-])c1 ZINC000788602229 699326353 /nfs/dbraw/zinc/32/63/53/699326353.db2.gz LWVSUQXNOHLSLZ-VXGBXAGGSA-N 1 0 306.366 1.698 20 5 DDBDRO Nc1ccc(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)cc1[N+](=O)[O-] ZINC000731018846 699520898 /nfs/dbraw/zinc/52/08/98/699520898.db2.gz AWBWQIJAQSWFAQ-LBPRGKRZSA-N 1 0 304.350 1.391 20 5 DDBDRO COc1ccc(C(=O)N2CCC23CC[NH+](C)CC3)cc1[N+](=O)[O-] ZINC000742186429 699863925 /nfs/dbraw/zinc/86/39/25/699863925.db2.gz ACKMBGCNXYGWEW-UHFFFAOYSA-N 1 0 319.361 1.914 20 5 DDBDRO CN(CCc1cccc([N+](=O)[O-])c1)C[C@H](O)C[NH+]1CCCC1 ZINC000801601862 700326314 /nfs/dbraw/zinc/32/63/14/700326314.db2.gz PWALBBQWOLYBPM-INIZCTEOSA-N 1 0 307.394 1.526 20 5 DDBDRO CC(C)[N@H+](CCOCCO)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000801994005 700362513 /nfs/dbraw/zinc/36/25/13/700362513.db2.gz VMODWNSIPHPMNJ-HNNXBMFYSA-N 1 0 312.366 1.348 20 5 DDBDRO C/C(=C\C(=O)NCCOCC[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000752756951 700385418 /nfs/dbraw/zinc/38/54/18/700385418.db2.gz ZBRFHJARVAHHEX-OUKQBFOZSA-N 1 0 321.377 1.693 20 5 DDBDRO C[N@H+](C1CCCC1)C(C)(C)C(=O)OCCn1cc([N+](=O)[O-])cn1 ZINC000754873326 700535250 /nfs/dbraw/zinc/53/52/50/700535250.db2.gz OIFNRVFIAXIOKI-UHFFFAOYSA-N 1 0 324.381 1.988 20 5 DDBDRO COC(=O)[C@@H]1C[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C[C@H]1C ZINC000755939930 700594094 /nfs/dbraw/zinc/59/40/94/700594094.db2.gz ZRBKKJDDRRTWMG-ZWNOBZJWSA-N 1 0 318.333 1.643 20 5 DDBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000758170332 700686988 /nfs/dbraw/zinc/68/69/88/700686988.db2.gz QUYXSMHQEBKLQR-SNVBAGLBSA-N 1 0 307.354 1.176 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@@H](CO)C1CC1 ZINC000763064223 700923546 /nfs/dbraw/zinc/92/35/46/700923546.db2.gz DTFUYKOBNATIQN-ZANVPECISA-N 1 0 323.349 1.291 20 5 DDBDRO C[C@H](CN1CC[NH+](C)CC1)Nc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000804441058 701190038 /nfs/dbraw/zinc/19/00/38/701190038.db2.gz ZPJORGCWHYBJRW-LLVKDONJSA-N 1 0 323.353 1.551 20 5 DDBDRO COC(=O)C[C@@]1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCOC1 ZINC000770675949 701289201 /nfs/dbraw/zinc/28/92/01/701289201.db2.gz GNJJIEBMLCOHAU-HNNXBMFYSA-N 1 0 308.334 1.797 20 5 DDBDRO Cc1nn(CN2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000808191010 701506701 /nfs/dbraw/zinc/50/67/01/701506701.db2.gz JWURBOHZEKYSPB-GXTWGEPZSA-N 1 0 307.398 1.924 20 5 DDBDRO CN(C)C(=O)[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000839636233 701762303 /nfs/dbraw/zinc/76/23/03/701762303.db2.gz PEMDUCYTWWANKD-NSHDSACASA-N 1 0 322.321 1.413 20 5 DDBDRO C[C@H]([NH2+]C[C@H](C)S(C)(=O)=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815597752 701902168 /nfs/dbraw/zinc/90/21/68/701902168.db2.gz FFSWTGAZEOKPCY-IUCAKERBSA-N 1 0 301.368 1.261 20 5 DDBDRO C[C@@](CO)([NH2+]CCC1OCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000879274637 706636707 /nfs/dbraw/zinc/63/67/07/706636707.db2.gz SFWMKRJDCWKVIT-HNNXBMFYSA-N 1 0 310.350 1.545 20 5 DDBDRO Cc1ccc(C(=O)N2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000812319723 702145418 /nfs/dbraw/zinc/14/54/18/702145418.db2.gz QLMDAJPUBXPWEF-KGLIPLIRSA-N 1 0 303.362 1.927 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3ccccc3[N+](=O)[O-])C[C@@H]2C1 ZINC000812330417 702154664 /nfs/dbraw/zinc/15/46/64/702154664.db2.gz NFIOENHLMJCZBX-KGLIPLIRSA-N 1 0 303.362 1.547 20 5 DDBDRO COCC[NH2+]CCNC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000841104287 702348790 /nfs/dbraw/zinc/34/87/90/702348790.db2.gz WZPLUEBNYHMSGC-UHFFFAOYSA-N 1 0 316.745 1.606 20 5 DDBDRO COC[C@H](C[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-])OC ZINC000866337394 706676353 /nfs/dbraw/zinc/67/63/53/706676353.db2.gz QUUDSOQJIHEFSN-MFKMUULPSA-N 1 0 300.330 1.916 20 5 DDBDRO C[C@H](N[C@@H]1C[NH2+]CCC1(F)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817979516 702541513 /nfs/dbraw/zinc/54/15/13/702541513.db2.gz BOZXZSLNIQTCAX-QPUJVOFHSA-N 1 0 300.309 1.825 20 5 DDBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000841856136 702589730 /nfs/dbraw/zinc/58/97/30/702589730.db2.gz NXUYHKJSICWQHO-PHIMTYICSA-N 1 0 324.768 1.609 20 5 DDBDRO CN(CC(C)(C)C[NH3+])C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000818531738 702661141 /nfs/dbraw/zinc/66/11/41/702661141.db2.gz PWIQAQXXRSCOJN-UHFFFAOYSA-N 1 0 310.310 1.560 20 5 DDBDRO C[NH2+]CCN(C)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000842473850 702725027 /nfs/dbraw/zinc/72/50/27/702725027.db2.gz LIZYGZMLRKDCEH-UHFFFAOYSA-N 1 0 300.746 1.338 20 5 DDBDRO C[NH2+]C[C@H](C)c1noc(-c2cc([N+](=O)[O-])cc3c2OCCO3)n1 ZINC000842584076 702736801 /nfs/dbraw/zinc/73/68/01/702736801.db2.gz ZKGDNPLTJJGPLD-QMMMGPOBSA-N 1 0 320.305 1.739 20 5 DDBDRO CC[NH2+][C@H](C)CNS(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 ZINC000842812493 702778401 /nfs/dbraw/zinc/77/84/01/702778401.db2.gz CDHLAIMHXYYGKJ-SECBINFHSA-N 1 0 319.358 1.319 20 5 DDBDRO C[C@@H]([NH3+])C[C@H](C)NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000842913889 702790885 /nfs/dbraw/zinc/79/08/85/702790885.db2.gz JMDRIQQKFORBNU-SFYZADRCSA-N 1 0 321.786 1.652 20 5 DDBDRO CC(C)C[C@@H](O)C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000843071252 702813334 /nfs/dbraw/zinc/81/33/34/702813334.db2.gz UQLGFJZNNQVSRN-OLZOCXBDSA-N 1 0 312.366 1.331 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@]2(CCO)CCOC2)c1 ZINC000843100290 702819058 /nfs/dbraw/zinc/81/90/58/702819058.db2.gz IJGJQUVTJJZHRZ-CABCVRRESA-N 1 0 310.350 1.007 20 5 DDBDRO CC(C)[NH2+]CCCNC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000843335267 702861643 /nfs/dbraw/zinc/86/16/43/702861643.db2.gz ZGJSCQRJEZAVBR-UHFFFAOYSA-N 1 0 313.329 1.617 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H](C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000843348847 702864291 /nfs/dbraw/zinc/86/42/91/702864291.db2.gz RZAURWRBKKZURJ-JTQLQIEISA-N 1 0 308.294 1.279 20 5 DDBDRO Cc1cc(F)cc(C(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)c1[N+](=O)[O-] ZINC000843356758 702865688 /nfs/dbraw/zinc/86/56/88/702865688.db2.gz AMCCWUWFOGVYMO-BXKDBHETSA-N 1 0 311.313 1.231 20 5 DDBDRO [NH3+]C[C@H]1CN(Cc2cc(F)ccc2[N+](=O)[O-])CC12CCOCC2 ZINC000843388618 702871555 /nfs/dbraw/zinc/87/15/55/702871555.db2.gz UIDAICMEYWSNPW-ZDUSSCGKSA-N 1 0 323.368 1.921 20 5 DDBDRO O=C(NCCC[NH2+]C1CC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000843512694 702897922 /nfs/dbraw/zinc/89/79/22/702897922.db2.gz NXOVOCHMGRCCNF-UHFFFAOYSA-N 1 0 308.294 1.375 20 5 DDBDRO CCN1C[C@@H](C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)OC1=O ZINC000846893003 703347726 /nfs/dbraw/zinc/34/77/26/703347726.db2.gz DWEOHQXITBRUEZ-CQSZACIVSA-N 1 0 307.350 1.910 20 5 DDBDRO O=C1O[C@@H](C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CN1C1CC1 ZINC000848679179 703574920 /nfs/dbraw/zinc/57/49/20/703574920.db2.gz RQCCGPHNZPBXML-KBPBESRZSA-N 1 0 321.333 1.201 20 5 DDBDRO CO[C@H](C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000849326623 703635791 /nfs/dbraw/zinc/63/57/91/703635791.db2.gz CSGNVXKSGNTEGX-VHDGCEQUSA-N 1 0 310.350 1.269 20 5 DDBDRO COC(=O)N1CCC[C@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000819003037 704049381 /nfs/dbraw/zinc/04/93/81/704049381.db2.gz MUEGTGAEFJSYGL-GXTWGEPZSA-N 1 0 323.349 1.449 20 5 DDBDRO Cc1noc(CCC[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC000819007042 704050261 /nfs/dbraw/zinc/05/02/61/704050261.db2.gz CVMGYJMACRAEQF-ZDUSSCGKSA-N 1 0 306.322 1.542 20 5 DDBDRO C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819154176 704077639 /nfs/dbraw/zinc/07/76/39/704077639.db2.gz ORLMRMPOLGCRNY-RLCCDNCMSA-N 1 0 305.378 1.701 20 5 DDBDRO Cc1nnc(CC[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)s1 ZINC000819319504 704106838 /nfs/dbraw/zinc/10/68/38/704106838.db2.gz OFCRLRUOIVRZDX-LBPRGKRZSA-N 1 0 308.363 1.620 20 5 DDBDRO CCC[C@H](C)C(=O)NCC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819330493 704108553 /nfs/dbraw/zinc/10/85/53/704108553.db2.gz SSJCRPZEVBZZPW-SWLSCSKDSA-N 1 0 323.393 1.770 20 5 DDBDRO C[C@H](C[C@H]1CCCC[N@@H+]1C)OC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000870789978 704133020 /nfs/dbraw/zinc/13/30/20/704133020.db2.gz LFZVPOHFWALDKJ-VXGBXAGGSA-N 1 0 310.354 1.597 20 5 DDBDRO Cc1c(C(=O)NCC2([NH3+])CCCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000852852115 704148064 /nfs/dbraw/zinc/14/80/64/704148064.db2.gz OGITYNXSBIGKKV-UHFFFAOYSA-N 1 0 322.321 1.813 20 5 DDBDRO CNc1ccc(C(=O)N[C@@H](C)C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000870987752 704194316 /nfs/dbraw/zinc/19/43/16/704194316.db2.gz CRNBVFLJFQPLCJ-JTQLQIEISA-N 1 0 306.366 1.754 20 5 DDBDRO COc1cc(NC[C@@H](O)C[NH+](C)C)c(Cl)cc1[N+](=O)[O-] ZINC000853151852 704205556 /nfs/dbraw/zinc/20/55/56/704205556.db2.gz TYWOFFWDAYHPSL-MRVPVSSYSA-N 1 0 303.746 1.591 20 5 DDBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000854653363 704434483 /nfs/dbraw/zinc/43/44/83/704434483.db2.gz YOCKILQYBBXGNH-HONMWMINSA-N 1 0 307.350 1.179 20 5 DDBDRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000855159448 704471547 /nfs/dbraw/zinc/47/15/47/704471547.db2.gz AMUBXRNLFFMIBM-SNVBAGLBSA-N 1 0 321.381 1.422 20 5 DDBDRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000855285639 704477305 /nfs/dbraw/zinc/47/73/05/704477305.db2.gz HLZFOLXZGDWMJX-SECBINFHSA-N 1 0 307.354 1.175 20 5 DDBDRO C[C@@H]1CN(C(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)C[C@H]1[NH3+] ZINC000857766394 704622354 /nfs/dbraw/zinc/62/23/54/704622354.db2.gz MPPPNMLQGUPXBV-LDYMZIIASA-N 1 0 315.276 1.372 20 5 DDBDRO COCC[N@H+](C)CCCNC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000821884218 704834013 /nfs/dbraw/zinc/83/40/13/704834013.db2.gz QPBIFKOYNFZPEL-UHFFFAOYSA-N 1 0 313.329 1.432 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(Cc2noc(CC[C@@H](C)[NH3+])n2)c1 ZINC000823088931 705136239 /nfs/dbraw/zinc/13/62/39/705136239.db2.gz PEIIPNOPFYSSMS-SECBINFHSA-N 1 0 306.322 1.857 20 5 DDBDRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000874822361 705181763 /nfs/dbraw/zinc/18/17/63/705181763.db2.gz ARBBDDZLZGIVMT-UONOGXRCSA-N 1 0 321.352 1.972 20 5 DDBDRO Cc1c(-c2noc(C[C@H]3COCC[NH2+]3)n2)cccc1[N+](=O)[O-] ZINC000823270910 705190030 /nfs/dbraw/zinc/19/00/30/705190030.db2.gz XVZGAYVNVAJMFA-JTQLQIEISA-N 1 0 304.306 1.484 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3C)c1[N+](=O)[O-] ZINC000874839959 705196114 /nfs/dbraw/zinc/19/61/14/705196114.db2.gz YOHLHBPDTOZNQS-GHMZBOCLSA-N 1 0 321.381 1.750 20 5 DDBDRO CCCN(C(=O)Cn1c(C)ncc1[N+](=O)[O-])[C@H]1CC[N@H+](C)C1 ZINC000823500096 705256162 /nfs/dbraw/zinc/25/61/62/705256162.db2.gz UPURNWSOZZZJIO-LBPRGKRZSA-N 1 0 309.370 1.042 20 5 DDBDRO CC(C)C[NH+]1CCN(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000824003046 705353311 /nfs/dbraw/zinc/35/33/11/705353311.db2.gz MTFKOZQAKWBVAH-UHFFFAOYSA-N 1 0 321.381 1.983 20 5 DDBDRO CO[C@@H]1C[N@H+](C)[C@](C)(COC(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000861352437 705441136 /nfs/dbraw/zinc/44/11/36/705441136.db2.gz JDISQSIEPGTBPT-FZMZJTMJSA-N 1 0 302.371 1.474 20 5 DDBDRO Cc1ccc(CNC(=O)N2CC[C@@H](C[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000876169343 705646784 /nfs/dbraw/zinc/64/67/84/705646784.db2.gz URICLWNIGLWPHI-AWEZNQCLSA-N 1 0 320.393 1.996 20 5 DDBDRO C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000876591833 705773172 /nfs/dbraw/zinc/77/31/72/705773172.db2.gz AMGZPGBWPBAUCT-YJJAWEDRSA-N 1 0 303.362 1.965 20 5 DDBDRO Cc1ccc(N2CN(CC[NH+](C)C)C(=O)[C@H]2C)c([N+](=O)[O-])c1 ZINC000826685237 705845130 /nfs/dbraw/zinc/84/51/30/705845130.db2.gz GYIMZYYZMMCXMO-GFCCVEGCSA-N 1 0 306.366 1.459 20 5 DDBDRO CCN(CC)C(=O)CCC[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000876933219 705929647 /nfs/dbraw/zinc/92/96/47/705929647.db2.gz JFGNIIGIPVNMIL-UHFFFAOYSA-N 1 0 323.397 1.733 20 5 DDBDRO Cc1c(CC(=O)N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)cccc1[N+](=O)[O-] ZINC000827300343 705971268 /nfs/dbraw/zinc/97/12/68/705971268.db2.gz MJACEPXRDOTZIK-HOCLYGCPSA-N 1 0 317.389 1.998 20 5 DDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@H]3CSCCS3)C2)c1 ZINC000877084481 705979160 /nfs/dbraw/zinc/97/91/60/705979160.db2.gz GBJVTPSFDNDLAT-CBINBANVSA-N 1 0 314.436 1.933 20 5 DDBDRO C[C@H]([NH3+])CN(C)C(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000877106090 705985665 /nfs/dbraw/zinc/98/56/65/705985665.db2.gz POPNDYZRGOBVND-ZETCQYMHSA-N 1 0 316.155 1.777 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(N)c([N+](=O)[O-])c3)CC[C@@H]21 ZINC000827371934 705988201 /nfs/dbraw/zinc/98/82/01/705988201.db2.gz BELWJINKVDYOSD-YPMHNXCESA-N 1 0 304.350 1.343 20 5 DDBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877285649 706048942 /nfs/dbraw/zinc/04/89/42/706048942.db2.gz WIMAONBKYJXQBK-QWHCGFSZSA-N 1 0 319.361 1.717 20 5 DDBDRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)c1ccc([N+](=O)[O-])c(Cl)c1)C2 ZINC000877373829 706085060 /nfs/dbraw/zinc/08/50/60/706085060.db2.gz KZYHNVUKZGIWKO-IINYFYTJSA-N 1 0 309.753 1.930 20 5 DDBDRO COc1ccc(CC(=O)N[C@]23CCC[C@@H]2[NH2+]CC3)cc1[N+](=O)[O-] ZINC000877393705 706093590 /nfs/dbraw/zinc/09/35/90/706093590.db2.gz QTNLEGLPMLDZHA-HOCLYGCPSA-N 1 0 319.361 1.547 20 5 DDBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000877399433 706096248 /nfs/dbraw/zinc/09/62/48/706096248.db2.gz RJVHUGISDZYHKI-HOCLYGCPSA-N 1 0 318.377 1.798 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2[C@H]3C[C@H]4CO[C@H]2[C@H]4C3)c1 ZINC000872218911 707334288 /nfs/dbraw/zinc/33/42/88/707334288.db2.gz BSMZLRMPDDGXBZ-RMFDTVQDSA-N 1 0 304.346 1.641 20 5 DDBDRO COC(=O)[C@H]1C[C@H](O)C[N@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000877608273 706158039 /nfs/dbraw/zinc/15/80/39/706158039.db2.gz ODRSQNPIKDUHAW-STQMWFEESA-N 1 0 322.361 1.567 20 5 DDBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000864610879 706211836 /nfs/dbraw/zinc/21/18/36/706211836.db2.gz VBAGLXZVUVCWOE-LBPRGKRZSA-N 1 0 309.341 1.877 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@H](c2ccnn2C)C1 ZINC000877976684 706256417 /nfs/dbraw/zinc/25/64/17/706256417.db2.gz YAJUFZGHYKAIBB-ZDUSSCGKSA-N 1 0 318.381 1.713 20 5 DDBDRO O=C(Cc1cccc(F)c1[N+](=O)[O-])N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000865126651 706358138 /nfs/dbraw/zinc/35/81/38/706358138.db2.gz YQLYBJQNXBLCIP-CYBMUJFWSA-N 1 0 321.352 1.973 20 5 DDBDRO [NH3+][C@H](CC(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)C1CC1 ZINC000829937585 706421664 /nfs/dbraw/zinc/42/16/64/706421664.db2.gz MTCZIXARNZVOAP-DGCLKSJQSA-N 1 0 319.365 1.130 20 5 DDBDRO Cc1ccc(C[NH2+][C@H]2CCN(CC(C)(C)O)C2)cc1[N+](=O)[O-] ZINC000865655190 706488613 /nfs/dbraw/zinc/48/86/13/706488613.db2.gz AHBXQXFYKCCCCM-AWEZNQCLSA-N 1 0 307.394 1.838 20 5 DDBDRO C[NH+](C)C[C@@H]1CCN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])C1 ZINC000865858160 706545512 /nfs/dbraw/zinc/54/55/12/706545512.db2.gz CPBLGGJRTOIOTE-NSHDSACASA-N 1 0 309.341 1.687 20 5 DDBDRO COC(=O)CC[C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000880040605 706861032 /nfs/dbraw/zinc/86/10/32/706861032.db2.gz YFRYXCROOCPXCE-LBPRGKRZSA-N 1 0 310.354 1.457 20 5 DDBDRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CCO1 ZINC000834317679 707029590 /nfs/dbraw/zinc/02/95/90/707029590.db2.gz ZFVKGSFMLUXUNP-PELKAZGASA-N 1 0 313.741 1.436 20 5 DDBDRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CCO1 ZINC000834322268 707030505 /nfs/dbraw/zinc/03/05/05/707030505.db2.gz QLWXHBXKMBTBOL-PELKAZGASA-N 1 0 313.741 1.436 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC[C@@H]1CNC(=O)C1 ZINC000926981741 712926471 /nfs/dbraw/zinc/92/64/71/712926471.db2.gz VKNSBDMXGQFSHG-QWRGUYRKSA-N 1 0 307.350 1.780 20 5 DDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCO[C@@H]2CCOC2)n1 ZINC000927082249 712939298 /nfs/dbraw/zinc/93/92/98/712939298.db2.gz VYUAWLWHSFOSJT-MGPQQGTHSA-N 1 0 324.381 1.670 20 5 DDBDRO Cc1cc(F)cc(C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)c1[N+](=O)[O-] ZINC000837307075 707617529 /nfs/dbraw/zinc/61/75/29/707617529.db2.gz XYQCWTAPSBBZGP-WDEREUQCSA-N 1 0 307.325 1.724 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC000873008034 707692556 /nfs/dbraw/zinc/69/25/56/707692556.db2.gz CMSLZFYOYZSSFR-GFCCVEGCSA-N 1 0 312.391 1.736 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H](CO)[C@@H]1CCOC1 ZINC000873119727 707737979 /nfs/dbraw/zinc/73/79/79/707737979.db2.gz OXTUNNSCOPLEGF-ZIAGYGMSSA-N 1 0 308.378 1.946 20 5 DDBDRO Cc1c(C[NH2+][C@@H]2CC[C@H](C)S(=O)(=O)C2)cccc1[N+](=O)[O-] ZINC000873136612 707745139 /nfs/dbraw/zinc/74/51/39/707745139.db2.gz FLPLYUXXTAFIHI-GXFFZTMASA-N 1 0 312.391 1.959 20 5 DDBDRO CN(CC[NH+](C)C)C(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC000896822188 708155876 /nfs/dbraw/zinc/15/58/76/708155876.db2.gz ZXAZKPYXXSZASA-UHFFFAOYSA-N 1 0 316.361 1.964 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)c1 ZINC000896912957 708181010 /nfs/dbraw/zinc/18/10/10/708181010.db2.gz LTBGYBHESFJARO-BLLLJJGKSA-N 1 0 319.361 1.769 20 5 DDBDRO Cc1cc(N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)ncc1[N+](=O)[O-] ZINC000897220415 708258549 /nfs/dbraw/zinc/25/85/49/708258549.db2.gz AYBTWJRBMLILOM-CHWSQXEVSA-N 1 0 306.366 1.334 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@]2(O)CC[N@@H+](C)C2)c1C ZINC000897397984 708315175 /nfs/dbraw/zinc/31/51/75/708315175.db2.gz PENAQBOCEMSDCF-OAHLLOKOSA-N 1 0 307.350 1.008 20 5 DDBDRO CN(C)CC[N@H+](C)CCCN(C)Cc1cccnc1[N+](=O)[O-] ZINC000886208039 708715113 /nfs/dbraw/zinc/71/51/13/708715113.db2.gz SXHPXXBVWYBAHY-UHFFFAOYSA-N 1 0 309.414 1.305 20 5 DDBDRO CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000886597442 708787579 /nfs/dbraw/zinc/78/75/79/708787579.db2.gz DUCHYKXUMZBTDQ-LBPRGKRZSA-N 1 0 322.365 1.498 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@H](c3ncccn3)C2)n1 ZINC000886681123 708812908 /nfs/dbraw/zinc/81/29/08/708812908.db2.gz SLSWNTSDWOPUBX-LBPRGKRZSA-N 1 0 302.338 1.461 20 5 DDBDRO CCN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H]1CC[NH2+]C1 ZINC000886854095 708865110 /nfs/dbraw/zinc/86/51/10/708865110.db2.gz AXDKVDHWCBTORP-AWEZNQCLSA-N 1 0 306.366 1.607 20 5 DDBDRO CCC1([NH+]2CCC2)CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000899558216 709111990 /nfs/dbraw/zinc/11/19/90/709111990.db2.gz FXUIXYJADKKQJI-UHFFFAOYSA-N 1 0 307.354 1.408 20 5 DDBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@H+](C)CCO ZINC000899737206 709183812 /nfs/dbraw/zinc/18/38/12/709183812.db2.gz DDWPZFBTVZJZLT-AWEZNQCLSA-N 1 0 323.393 1.204 20 5 DDBDRO C[C@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000912806427 713097796 /nfs/dbraw/zinc/09/77/96/713097796.db2.gz FKHCKMXESGYAPO-PWSUYJOCSA-N 1 0 309.370 1.510 20 5 DDBDRO O=[N+]([O-])c1cnc2ccc(F)cc2c1N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000891929034 710330568 /nfs/dbraw/zinc/33/05/68/710330568.db2.gz KXHJVIQDQHZCHI-NXEZZACHSA-N 1 0 302.309 1.938 20 5 DDBDRO Cn1c2ccccc2c(N2C[C@@H]3C[NH2+]C[C@H]3C2)c([N+](=O)[O-])c1=O ZINC000891930043 710330621 /nfs/dbraw/zinc/33/06/21/710330621.db2.gz VANHNRBBDSBVRP-QWRGUYRKSA-N 1 0 314.345 1.102 20 5 DDBDRO C[C@@H]1CCC[N@@H+]1CCNC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000892418106 710434119 /nfs/dbraw/zinc/43/41/19/710434119.db2.gz MZQJGZPLMNSOFH-GFCCVEGCSA-N 1 0 306.366 1.878 20 5 DDBDRO CC[N@H+](C)C[C@@H]1CCN(c2ccc3nonc3c2[N+](=O)[O-])C1 ZINC000892730835 710489137 /nfs/dbraw/zinc/48/91/37/710489137.db2.gz KBINOXDTZGLVPR-JTQLQIEISA-N 1 0 305.338 1.909 20 5 DDBDRO C[C@H]1[C@H](NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000928431522 713192633 /nfs/dbraw/zinc/19/26/33/713192633.db2.gz FBEXYQXVJIIWOX-SMDDNHRTSA-N 1 0 319.361 1.767 20 5 DDBDRO C[C@@H]1[C@@H](NC(=O)CN(C)c2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000928435833 713194614 /nfs/dbraw/zinc/19/46/14/713194614.db2.gz DEAFQGRXNCMFBS-NEPJUHHUSA-N 1 0 306.366 1.240 20 5 DDBDRO CCOc1ccc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000928452606 713203837 /nfs/dbraw/zinc/20/38/37/713203837.db2.gz NFAFISGKRFEFLQ-ZYHUDNBSSA-N 1 0 307.350 1.816 20 5 DDBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902467272 710762964 /nfs/dbraw/zinc/76/29/64/710762964.db2.gz OPCMLNLHQFCBLC-DZGBDDFRSA-N 1 0 318.377 1.794 20 5 DDBDRO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC000893936007 710892631 /nfs/dbraw/zinc/89/26/31/710892631.db2.gz TYNZPZWGTDGQJQ-JGVFFNPUSA-N 1 0 319.287 1.487 20 5 DDBDRO COCCN1CC[C@H]([NH2+][C@@H](C)c2cc(OC)cc([N+](=O)[O-])c2)C1 ZINC000903093157 711029681 /nfs/dbraw/zinc/02/96/81/711029681.db2.gz PNHUKSDSSXJKTM-JSGCOSHPSA-N 1 0 323.393 1.975 20 5 DDBDRO COCCN1CC[C@@H]([NH2+][C@H](C)c2cc(OC)cc([N+](=O)[O-])c2)C1 ZINC000903093159 711029958 /nfs/dbraw/zinc/02/99/58/711029958.db2.gz PNHUKSDSSXJKTM-TZMCWYRMSA-N 1 0 323.393 1.975 20 5 DDBDRO C[N@@H+]1CC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000928554903 713224369 /nfs/dbraw/zinc/22/43/69/713224369.db2.gz LBUSIIWDRLMKAS-SNVBAGLBSA-N 1 0 300.318 1.577 20 5 DDBDRO C[NH2+]C[C@H]1CCCN1C(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC000911868807 711041167 /nfs/dbraw/zinc/04/11/67/711041167.db2.gz RQOUXBGRHBMXHL-CYBMUJFWSA-N 1 0 309.341 1.877 20 5 DDBDRO COC(=O)[C@H]1[C@@H](C[NH2+]CCc2ccccc2[N+](=O)[O-])C1(F)F ZINC000894299711 711057767 /nfs/dbraw/zinc/05/77/67/711057767.db2.gz PXAFRCKLHVQKOH-ZYHUDNBSSA-N 1 0 314.288 1.781 20 5 DDBDRO Cc1c([C@@H](C)[NH2+]CCCc2nnnn2C)cccc1[N+](=O)[O-] ZINC000903349300 711100792 /nfs/dbraw/zinc/10/07/92/711100792.db2.gz SUJCHVPHOWAGRB-LLVKDONJSA-N 1 0 304.354 1.710 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1NC1CC[NH+](C2CCOCC2)CC1 ZINC000894517180 711159872 /nfs/dbraw/zinc/15/98/72/711159872.db2.gz RLMIMQRLHBPLGQ-UHFFFAOYSA-N 1 0 309.370 1.384 20 5 DDBDRO [NH3+]C[C@@H]1Cc2cc(F)ccc2N(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000903568359 711200752 /nfs/dbraw/zinc/20/07/52/711200752.db2.gz KDAXLCFCPAPHQS-NSHDSACASA-N 1 0 319.340 1.568 20 5 DDBDRO [NH3+]CCCSCCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000912184661 711207371 /nfs/dbraw/zinc/20/73/71/711207371.db2.gz ZPCZIZFMSTYGNE-UHFFFAOYSA-N 1 0 309.391 1.956 20 5 DDBDRO O=[N+]([O-])c1ccccc1CN1CC[NH2+]CCC12CCOCC2 ZINC000903813929 711289312 /nfs/dbraw/zinc/28/93/12/711289312.db2.gz CVWPTLYMVSJLCJ-UHFFFAOYSA-N 1 0 305.378 1.939 20 5 DDBDRO C[N@@H+]1CCN(c2nccc3c2cccc3[N+](=O)[O-])C[C@H]1CO ZINC000894883894 711307717 /nfs/dbraw/zinc/30/77/17/711307717.db2.gz BKVICEWRKUUAJK-NSHDSACASA-N 1 0 302.334 1.256 20 5 DDBDRO [NH3+][C@@H](CC(F)F)CN1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000903884451 711316261 /nfs/dbraw/zinc/31/62/61/711316261.db2.gz AHXGZYKMMRWJSV-NSHDSACASA-N 1 0 314.336 1.699 20 5 DDBDRO O=[N+]([O-])c1ccc(CN[C@@H]2C[NH2+]CC3(CCOCC3)C2)c(F)c1 ZINC000903974983 711354318 /nfs/dbraw/zinc/35/43/18/711354318.db2.gz XYCCEJRCYWIQIL-ZDUSSCGKSA-N 1 0 323.368 1.982 20 5 DDBDRO CCC[C@H]1CN(c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)CC[NH2+]1 ZINC000895058489 711391633 /nfs/dbraw/zinc/39/16/33/711391633.db2.gz LUDKPPBOYIGRGU-QMMMGPOBSA-N 1 0 321.303 1.925 20 5 DDBDRO O=C(NC12CC[NH+](CC1)C2)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000913637258 713274128 /nfs/dbraw/zinc/27/41/28/713274128.db2.gz CKBMVGWLHCDAKO-UHFFFAOYSA-N 1 0 313.716 1.965 20 5 DDBDRO O=[N+]([O-])c1cccnc1N1CCN(CC[NH+]2CCCC2)CC1 ZINC000917095813 713482235 /nfs/dbraw/zinc/48/22/35/713482235.db2.gz RAQBDVVKSITNLG-UHFFFAOYSA-N 1 0 305.382 1.208 20 5 DDBDRO Cc1c(C(=O)N[C@@H]2CCC[N@@H+](C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000918395282 713541552 /nfs/dbraw/zinc/54/15/52/713541552.db2.gz MWSPVBUXFGMYOE-SNVBAGLBSA-N 1 0 322.321 1.635 20 5 DDBDRO O=[N+]([O-])CCN1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000930454232 713839511 /nfs/dbraw/zinc/83/95/11/713839511.db2.gz FLSUVLVKSSZZDJ-QGZVFWFLSA-N 1 0 318.421 1.155 20 5 DDBDRO Cc1cncc([N+](=O)[O-])c1NC(=O)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000930877557 713947984 /nfs/dbraw/zinc/94/79/84/713947984.db2.gz VOARABLXKHBRDW-LLVKDONJSA-N 1 0 307.354 1.278 20 5 DDBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000931046197 713990131 /nfs/dbraw/zinc/99/01/31/713990131.db2.gz SPPLQYAHOMAXDC-MFKMUULPSA-N 1 0 306.366 1.218 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1CN1CCNC(=O)CC1(C)C ZINC000931206002 714035564 /nfs/dbraw/zinc/03/55/64/714035564.db2.gz ZRPXIBMMSZJJQI-UHFFFAOYSA-N 1 0 307.350 1.704 20 5 DDBDRO CCO[C@H](CNCc1ccc(OC)c([N+](=O)[O-])c1)C[NH+](C)C ZINC000922757130 714138764 /nfs/dbraw/zinc/13/87/64/714138764.db2.gz RCGOZGMCOFAIBH-CYBMUJFWSA-N 1 0 311.382 1.660 20 5 DDBDRO Cc1ccc(C[NH2+][C@H]2C[C@H](O)C23CCOCC3)cc1[N+](=O)[O-] ZINC000923022777 714217042 /nfs/dbraw/zinc/21/70/42/714217042.db2.gz CXJUDRARYBGKEM-GJZGRUSLSA-N 1 0 306.362 1.923 20 5 DDBDRO COCC[NH2+]C1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000923386526 714337145 /nfs/dbraw/zinc/33/71/45/714337145.db2.gz CGMZXNMZLMGVSX-INIZCTEOSA-N 1 0 323.393 1.329 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1[C@H](C)C[NH2+][C@H](C)[C@H]1C ZINC000923439422 714356116 /nfs/dbraw/zinc/35/61/16/714356116.db2.gz DCFZEZGBVGUJAZ-JHJVBQTASA-N 1 0 320.393 1.912 20 5 DDBDRO C[C@@H]1[C@H](C)[NH2+]C[C@H](C)N1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000923445694 714358237 /nfs/dbraw/zinc/35/82/37/714358237.db2.gz WEUWYWUSBAYTSC-RWMBFGLXSA-N 1 0 320.393 1.994 20 5 DDBDRO C[NH+]1CCC(OCC(=O)N2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000933217927 714539406 /nfs/dbraw/zinc/53/94/06/714539406.db2.gz MVHXUFZSCCQKTM-UHFFFAOYSA-N 1 0 319.361 1.595 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)C[C@H]1CCC(=O)N1 ZINC000924956017 714707991 /nfs/dbraw/zinc/70/79/91/714707991.db2.gz WWTUFWRQZMCUEO-ZYHUDNBSSA-N 1 0 307.350 1.750 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@H](c1ccncc1)C1CC1 ZINC000934696876 714883218 /nfs/dbraw/zinc/88/32/18/714883218.db2.gz VEMUZXFTOROKQW-INIZCTEOSA-N 1 0 314.345 1.892 20 5 DDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC2(CC1)CC[NH+](CCF)CC2 ZINC000957547732 715950410 /nfs/dbraw/zinc/95/04/10/715950410.db2.gz NQRKYMPWZNAPNU-CHWSQXEVSA-N 1 0 313.373 1.326 20 5 DDBDRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1cc([N+](=O)[O-])ccn1 ZINC001164923252 721849035 /nfs/dbraw/zinc/84/90/35/721849035.db2.gz UNHOKRDCMBXEFW-KGLIPLIRSA-N 1 0 305.382 1.204 20 5 DDBDRO C[NH+](C)CC1CCN(c2ncc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC001165042264 721944130 /nfs/dbraw/zinc/94/41/30/721944130.db2.gz LLTHLLXWPOMDFJ-UHFFFAOYSA-N 1 0 309.326 1.676 20 5 DDBDRO COCc1cc([N+](=O)[O-])ccc1N[C@@H](C)[C@H]1C[N@H+](C)CCN1C ZINC001120873809 782202010 /nfs/dbraw/zinc/20/20/10/782202010.db2.gz GYEXGHRHKQUKQF-BLLLJJGKSA-N 1 0 322.409 1.787 20 5 DDBDRO COc1nc(C)nc(-n2ccc3cc(C[NH3+])cnc32)c1[N+](=O)[O-] ZINC001167305013 733115766 /nfs/dbraw/zinc/11/57/66/733115766.db2.gz IMCSZTKXKWSECU-UHFFFAOYSA-N 1 0 314.305 1.499 20 5 DDBDRO Cc1cccnc1C(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001125424482 733290610 /nfs/dbraw/zinc/29/06/10/733290610.db2.gz JMDSEYPQMQPIQR-UHFFFAOYSA-N 1 0 320.374 1.879 20 5 DDBDRO COC(=O)[C@@H](CCC[NH3+])Nc1ccc2nc[nH]c2c1[N+](=O)[O-] ZINC001167901468 739235358 /nfs/dbraw/zinc/23/53/58/739235358.db2.gz RZGMVJZIVNZFLF-SNVBAGLBSA-N 1 0 307.310 1.164 20 5 DDBDRO O=C(C[NH+]1CCCC1)N[C@H]1C[C@H](Nc2ncccc2[N+](=O)[O-])C1 ZINC001059233395 740439370 /nfs/dbraw/zinc/43/93/70/740439370.db2.gz FPEBOFTYHUGHRQ-HAQNSBGRSA-N 1 0 319.365 1.145 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(N(C)CCN(C)C(=O)CC[NH+](C)C)c1 ZINC001105554097 742112984 /nfs/dbraw/zinc/11/29/84/742112984.db2.gz OLQWNEVOJJOEAZ-UHFFFAOYSA-N 1 0 322.409 1.750 20 5 DDBDRO C[NH+](C)[C@H]1C[C@H](NC(=O)c2ccc(N)c([N+](=O)[O-])c2)C12CCC2 ZINC001168330479 742192036 /nfs/dbraw/zinc/19/20/36/742192036.db2.gz TZZYOBNCNVOKHB-KBPBESRZSA-N 1 0 318.377 1.780 20 5 DDBDRO O=C(NCC[NH2+]CCCCOc1ccccc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126939434 742881177 /nfs/dbraw/zinc/88/11/77/742881177.db2.gz YDEXUPWDAAPZED-HUUCEWRRSA-N 1 0 321.377 1.217 20 5 DDBDRO CCC/C=C\CC[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001195762114 746689194 /nfs/dbraw/zinc/68/91/94/746689194.db2.gz WXKPLWGZYYENFC-ZYDHHDLOSA-N 1 0 309.410 1.932 20 5 DDBDRO COc1ccc(C[NH2+]Cc2cnc3cnccn23)cc1[N+](=O)[O-] ZINC001200223895 748169478 /nfs/dbraw/zinc/16/94/78/748169478.db2.gz POKFTRZZVQCJOZ-UHFFFAOYSA-N 1 0 313.317 1.936 20 5 DDBDRO COc1ccc(-n2cnc(C)c2CSCC[NH3+])nc1[N+](=O)[O-] ZINC001168783674 761944411 /nfs/dbraw/zinc/94/44/11/761944411.db2.gz NDWHLUDESPFSCQ-UHFFFAOYSA-N 1 0 323.378 1.684 20 5 DDBDRO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC[NH+](C/C=C/Cl)CC1 ZINC001005382963 749934233 /nfs/dbraw/zinc/93/42/33/749934233.db2.gz SCXKRKLMXPXSCV-JAVOVTSZSA-N 1 0 301.774 1.327 20 5 DDBDRO C[NH+](C)CCCC(=O)NC/C=C\CNc1ccc([N+](=O)[O-])cn1 ZINC001107475760 749998625 /nfs/dbraw/zinc/99/86/25/749998625.db2.gz MVIKRZIIIHCNSZ-ARJAWSKDSA-N 1 0 321.381 1.416 20 5 DDBDRO CC(=O)NCC[NH+]1CCC(Nc2ccccc2[N+](=O)[O-])CC1 ZINC001111309767 750444674 /nfs/dbraw/zinc/44/46/74/750444674.db2.gz ZMCHZHAQBIMFKM-UHFFFAOYSA-N 1 0 306.366 1.607 20 5 DDBDRO COCCOc1ccc(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)cn1 ZINC001168984612 762152115 /nfs/dbraw/zinc/15/21/15/762152115.db2.gz PAQCKXFERDMNEX-OCCSQVGLSA-N 1 0 309.366 1.642 20 5 DDBDRO [NH3+]CC1(N(Cc2ccccc2)[C@@H]2CC[C@H](C[N+](=O)[O-])C2)COC1 ZINC001168967190 762158591 /nfs/dbraw/zinc/15/85/91/762158591.db2.gz NZWNJWJCHKNPDA-JKSUJKDBSA-N 1 0 319.405 1.662 20 5 DDBDRO Cc1cc(N2CC[C@@H]([NH2+][C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)ncn1 ZINC001168997207 762169780 /nfs/dbraw/zinc/16/97/80/762169780.db2.gz YDKKOLVKTZIQDI-MGPQQGTHSA-N 1 0 305.382 1.399 20 5 DDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2cccc(OC3COC3)n2)C1 ZINC001169000598 762172118 /nfs/dbraw/zinc/17/21/18/762172118.db2.gz XXNFNRXTNYVFBG-RYUDHWBXSA-N 1 0 307.350 1.394 20 5 DDBDRO Cc1cccnc1N1CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169007692 762175879 /nfs/dbraw/zinc/17/58/79/762175879.db2.gz PIQYGCIGWSFKDT-GJZGRUSLSA-N 1 0 304.394 1.957 20 5 DDBDRO O=C(C1CCC1)N1CCC[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169028399 762185425 /nfs/dbraw/zinc/18/54/25/762185425.db2.gz RXQPQMCMDXHHPY-HIFRSBDPSA-N 1 0 309.410 1.766 20 5 DDBDRO C[N@H+](C1CN(C(=O)OC(C)(C)C)C1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169038235 762192637 /nfs/dbraw/zinc/19/26/37/762192637.db2.gz XGUXSHACXFZCFQ-NWDGAFQWSA-N 1 0 313.398 1.983 20 5 DDBDRO CCN1CC[C@]2(CCC[N@@H+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)C1=O ZINC001169019203 762199270 /nfs/dbraw/zinc/19/92/70/762199270.db2.gz FNZDXYVVUCRQKA-YCPHGPKFSA-N 1 0 309.410 1.766 20 5 DDBDRO COc1cc(N2CC[NH+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)ccn1 ZINC001169052518 762208108 /nfs/dbraw/zinc/20/81/08/762208108.db2.gz GWERHMZDROXNGH-KGLIPLIRSA-N 1 0 320.393 1.658 20 5 DDBDRO Cc1cc(N([C@H]2CC[C@H](C[N+](=O)[O-])C2)C2CC[NH2+]CC2)ncn1 ZINC001169057621 762211371 /nfs/dbraw/zinc/21/13/71/762211371.db2.gz WIVMQRWRVFBZMW-ZFWWWQNUSA-N 1 0 319.409 1.789 20 5 DDBDRO CCN1CC2(CC1=O)CC[NH+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169057929 762211975 /nfs/dbraw/zinc/21/19/75/762211975.db2.gz ZBQGNUSNYYFZLB-UONOGXRCSA-N 1 0 309.410 1.766 20 5 DDBDRO COc1ccc([N+](=O)[O-])nc1NCc1ncn2c1C[NH2+]CCC2 ZINC001169240157 762304634 /nfs/dbraw/zinc/30/46/34/762304634.db2.gz CFPOKRPAUBHZMM-UHFFFAOYSA-N 1 0 318.337 1.300 20 5 DDBDRO C[N@H+]1C[C@H]2CC[C@@H](C1)N2C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000828588419 759683889 /nfs/dbraw/zinc/68/38/89/759683889.db2.gz AWBGDIYUZNZRTG-MJBXVCDLSA-N 1 0 321.377 1.113 20 5 DDBDRO COC(=O)[C@H]([NH3+])C1CCN(c2ccc([N+](=O)[O-])c(C)n2)CC1 ZINC001155153982 760694345 /nfs/dbraw/zinc/69/43/45/760694345.db2.gz JEZVEBVTPVHYLI-CYBMUJFWSA-N 1 0 308.338 1.015 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(NC[C@@H]2CN(C)CCO2)nc1Cl ZINC001155196908 760823584 /nfs/dbraw/zinc/82/35/84/760823584.db2.gz PQNMXRUFAMFVHH-SECBINFHSA-N 1 0 300.746 1.694 20 5 DDBDRO Cc1conc1C(=O)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001170317643 766248319 /nfs/dbraw/zinc/24/83/19/766248319.db2.gz IOXKJJSPDSLYFM-UHFFFAOYSA-N 1 0 318.333 1.801 20 5 DDBDRO COc1ccc(C[C@H](C)[N@@H+]2CCOC[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC001170334097 766256940 /nfs/dbraw/zinc/25/69/40/766256940.db2.gz BLDCXUKLPVYLEM-AAEUAGOBSA-N 1 0 310.350 1.228 20 5 DDBDRO [NH3+]CCOCCOCCNc1cnc(Cl)cc1[N+](=O)[O-] ZINC001170508531 767647886 /nfs/dbraw/zinc/64/78/86/767647886.db2.gz SELVKWPETJQQBU-UHFFFAOYSA-N 1 0 304.734 1.047 20 5 DDBDRO Cc1n[nH]cc1C(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001132143565 768653839 /nfs/dbraw/zinc/65/38/39/768653839.db2.gz RFOGUJVGRBXNSE-UHFFFAOYSA-N 1 0 303.322 1.146 20 5 DDBDRO O=[N+]([O-])c1cc(Cl)c(Cl)nc1N[C@@H]1C[NH2+]C[C@H]1CO ZINC001159671713 771818575 /nfs/dbraw/zinc/81/85/75/771818575.db2.gz LCJRTXYPPVVTKK-CAHLUQPWSA-N 1 0 307.137 1.289 20 5 DDBDRO C[N@@H+]1CCC[C@@H](CNC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)C1 ZINC001145018214 772755917 /nfs/dbraw/zinc/75/59/17/772755917.db2.gz UQIRLYVQLGZYDQ-ZETCQYMHSA-N 1 0 301.734 1.043 20 5 DDBDRO CC[NH+](CC)CC(=O)NCCNc1cc(C)c([N+](=O)[O-])cn1 ZINC001093646586 774946215 /nfs/dbraw/zinc/94/62/15/774946215.db2.gz GXTKIMQJVHDDKZ-UHFFFAOYSA-N 1 0 309.370 1.168 20 5 DDBDRO Cc1cc(NCCNC(=O)C[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC001093652033 774950888 /nfs/dbraw/zinc/95/08/88/774950888.db2.gz ABXQGUDHWJQSPI-UHFFFAOYSA-N 1 0 306.366 1.527 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(NCCNC(=O)C2CC[NH+](C)CC2)c1 ZINC001093701467 775022140 /nfs/dbraw/zinc/02/21/40/775022140.db2.gz VUPNKYWLFLVCII-UHFFFAOYSA-N 1 0 320.393 1.773 20 5 DDBDRO C[NH+](C)CCCC(=O)NCCNc1cccc(F)c1[N+](=O)[O-] ZINC001094094344 775426718 /nfs/dbraw/zinc/42/67/18/775426718.db2.gz PTFCKYNUKFVWDH-UHFFFAOYSA-N 1 0 312.345 1.604 20 5 DDBDRO C[NH+]1CCC(C(=O)NCCCNc2ncccc2[N+](=O)[O-])CC1 ZINC001094471709 775925536 /nfs/dbraw/zinc/92/55/36/775925536.db2.gz MUPFWFPKZHPIRD-UHFFFAOYSA-N 1 0 321.381 1.250 20 5 DDBDRO COC(=O)c1ncc([N+](=O)[O-])c(C)c1Nc1nccnc1C[NH3+] ZINC001171450502 776205706 /nfs/dbraw/zinc/20/57/06/776205706.db2.gz RWRIZAUKLDULGZ-UHFFFAOYSA-N 1 0 318.293 1.077 20 5 DDBDRO C[NH+](C)CCCC(=O)NCCCNc1ccc([N+](=O)[O-])cc1 ZINC001094744779 776242638 /nfs/dbraw/zinc/24/26/38/776242638.db2.gz LLGJMZWOZFKAKR-UHFFFAOYSA-N 1 0 308.382 1.855 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@@H]([C@H]2CCCO2)C2(CO)CCC2)n1 ZINC001171582481 776352829 /nfs/dbraw/zinc/35/28/29/776352829.db2.gz ISARQAMOKBQFLZ-OCCSQVGLSA-N 1 0 324.381 1.091 20 5 DDBDRO CCN(CCNC(=O)CC[NH+](C)C)c1ncc(C)cc1[N+](=O)[O-] ZINC001100700852 776451067 /nfs/dbraw/zinc/45/10/67/776451067.db2.gz QSMXTXMLLLREJE-UHFFFAOYSA-N 1 0 323.397 1.192 20 5 DDBDRO O=C(CCc1c[nH]cn1)NCCCNc1ccccc1[N+](=O)[O-] ZINC001094856340 776526031 /nfs/dbraw/zinc/52/60/31/776526031.db2.gz XSLLBKUMNIERID-UHFFFAOYSA-N 1 0 317.349 1.869 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]C1CS(=O)(=O)C1)CC2 ZINC001172896897 776912638 /nfs/dbraw/zinc/91/26/38/776912638.db2.gz TZXRYJDTSFSRHI-GFCCVEGCSA-N 1 0 310.375 1.229 20 5 DDBDRO N#CN1CC[NH+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172912954 776942906 /nfs/dbraw/zinc/94/29/06/776942906.db2.gz NFVGYZYBCKQZIR-HNNXBMFYSA-N 1 0 300.362 1.941 20 5 DDBDRO COC(=O)CN1CC[NH+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173228402 777062371 /nfs/dbraw/zinc/06/23/71/777062371.db2.gz VYMPCNDUUPCDRO-ZDUSSCGKSA-N 1 0 321.377 1.316 20 5 DDBDRO CCC[N@H+](C)CC(=O)NCC1(Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC001110193524 778065939 /nfs/dbraw/zinc/06/59/39/778065939.db2.gz KXRLKIMIJCTSRB-UHFFFAOYSA-N 1 0 320.393 1.997 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@H]1COC[C@H]1C ZINC001176355947 778132940 /nfs/dbraw/zinc/13/29/40/778132940.db2.gz PSBGAQMNZOHFJL-NRUUGDAUSA-N 1 0 323.349 1.555 20 5 DDBDRO CC[N@H+](CCC(=O)NC)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC001176735416 778223251 /nfs/dbraw/zinc/22/32/51/778223251.db2.gz WTJDEBONSKOTJY-UHFFFAOYSA-N 1 0 323.349 1.339 20 5 DDBDRO CC[N@H+](C)[C@@H]1CCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001177044221 778406349 /nfs/dbraw/zinc/40/63/49/778406349.db2.gz PYRMDUIGBRRLBD-SWLSCSKDSA-N 1 0 320.393 1.948 20 5 DDBDRO C[N@@H+]1C[C@@H](NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])C(C)(C)C1 ZINC001178709317 779154617 /nfs/dbraw/zinc/15/46/17/779154617.db2.gz MDOBQLYLOGHHHL-CYBMUJFWSA-N 1 0 309.341 1.733 20 5 DDBDRO [NH3+][C@H]1CCCC[C@H]1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC001118081825 781019608 /nfs/dbraw/zinc/01/96/08/781019608.db2.gz GLRRJROEBWEDMJ-KGLIPLIRSA-N 1 0 307.350 1.607 20 5 DDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC001118256398 781076657 /nfs/dbraw/zinc/07/66/57/781076657.db2.gz SGMLTVCRQBICFG-JTQLQIEISA-N 1 0 306.366 1.836 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CC3CCC(O)CC3)CC2)cn1 ZINC001118491883 781138499 /nfs/dbraw/zinc/13/84/99/781138499.db2.gz DHMBECQUKUMKNN-UHFFFAOYSA-N 1 0 320.393 1.663 20 5 DDBDRO C[NH+](C)C[C@H](CO)Nc1c2cc(F)ccc2ncc1[N+](=O)[O-] ZINC001119958774 781698571 /nfs/dbraw/zinc/69/85/71/781698571.db2.gz KLNSSEDJKXXMPD-SNVBAGLBSA-N 1 0 308.313 1.038 20 5 DDBDRO CC(C)C(=O)NC1(C[NH2+]Cc2c([N+](=O)[O-])ncn2C)CCCC1 ZINC001267832789 839049815 /nfs/dbraw/zinc/04/98/15/839049815.db2.gz FADRBAHLOSCNTK-UHFFFAOYSA-N 1 0 323.397 1.503 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccnc(Br)c1 ZINC001225613599 841119771 /nfs/dbraw/zinc/11/97/71/841119771.db2.gz RRNQYOYPKZUFAT-SECBINFHSA-N 1 0 318.191 1.207 20 5 DDBDRO C[NH+](C)C[C@@H]1COCCN1c1ncnc2cccc([N+](=O)[O-])c21 ZINC001154986132 861622372 /nfs/dbraw/zinc/62/23/72/861622372.db2.gz YHASXLWBWPWCRC-LLVKDONJSA-N 1 0 317.349 1.305 20 5 DDBDRO O=[N+]([O-])c1cc[n+]([O-])c(NC[C@H]2CCC3(CC[NH2+]CC3)CO2)c1 ZINC001155378939 862015813 /nfs/dbraw/zinc/01/58/13/862015813.db2.gz ZJEVVGJPLNDEDE-CYBMUJFWSA-N 1 0 322.365 1.189 20 5 DDBDRO COc1cccc(C(=O)N2C[C@H]3CC[N@H+](C)[C@H]3C2)c1[N+](=O)[O-] ZINC001273359497 849661055 /nfs/dbraw/zinc/66/10/55/849661055.db2.gz HMMGGYBVYLCLSK-PWSUYJOCSA-N 1 0 305.334 1.380 20 5 DDBDRO O=C(NCC12CCC[NH+](CCC1)C2)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC001150053431 862052582 /nfs/dbraw/zinc/05/25/82/862052582.db2.gz KDHABRJYSSMDJL-UHFFFAOYSA-N 1 0 320.349 1.301 20 5 DDBDRO Cc1c(C)c(NCC[C@@H]2CCOC23C[NH2+]C3)ncc1[N+](=O)[O-] ZINC001155475756 862132370 /nfs/dbraw/zinc/13/23/70/862132370.db2.gz CIMLIWGWRKGPTO-GFCCVEGCSA-N 1 0 306.366 1.787 20 5 DDBDRO COc1cc(NCc2noc3c2C[NH2+]CC3)ncc1[N+](=O)[O-] ZINC001155497543 862162807 /nfs/dbraw/zinc/16/28/07/862162807.db2.gz QSJJOZSPBVMCER-UHFFFAOYSA-N 1 0 305.294 1.244 20 5 DDBDRO O=[N+]([O-])c1ccc2c(ccnc2NC[C@]23C[NH2+]C[C@H]2COC3)c1 ZINC001155515393 862180943 /nfs/dbraw/zinc/18/09/43/862180943.db2.gz WJUMMASISKVRSQ-LRDDRELGSA-N 1 0 314.345 1.791 20 5 DDBDRO Cc1nc(NC[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)ccc1[N+](=O)[O-] ZINC001155593407 862269719 /nfs/dbraw/zinc/26/97/19/862269719.db2.gz ZDRJGCWAIHBXMH-IUODEOHRSA-N 1 0 306.366 1.869 20 5 DDBDRO COc1cc(NC[C@H]2CO[C@]3(C2)CCC[NH2+]C3)ncc1[N+](=O)[O-] ZINC001155601562 862278832 /nfs/dbraw/zinc/27/88/32/862278832.db2.gz ZRMRHIQWLFBUGF-NHYWBVRUSA-N 1 0 322.365 1.569 20 5 DDBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NOCC[NH+](C)C ZINC001328308916 862888545 /nfs/dbraw/zinc/88/85/45/862888545.db2.gz FAOVQRBDZKRSPH-ZDUSSCGKSA-N 1 0 309.366 1.773 20 5 DDBDRO C[NH2+]CCN(C)C(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC001122010459 858660780 /nfs/dbraw/zinc/66/07/80/858660780.db2.gz OUSAFPGKZPEQOY-UHFFFAOYSA-N 1 0 309.322 1.048 20 5 DDBDRO CN(CC(=O)N1CC[C@@H]2CC[C@@]21C[NH3+])c1ccccc1[N+](=O)[O-] ZINC001122411682 858797593 /nfs/dbraw/zinc/79/75/93/858797593.db2.gz QZIVJAOPRWWYTE-BLLLJJGKSA-N 1 0 318.377 1.371 20 5 DDBDRO Cc1nn(CCC(=O)N(C)CC2CC[NH2+]CC2)c(C)c1[N+](=O)[O-] ZINC001122470728 858835885 /nfs/dbraw/zinc/83/58/85/858835885.db2.gz BBNYOHWKVOVLII-UHFFFAOYSA-N 1 0 323.397 1.256 20 5 DDBDRO [NH3+][C@H]1C[C@@H](NC(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC001122488947 858849434 /nfs/dbraw/zinc/84/94/34/858849434.db2.gz GOBZIZYMWSKZTM-KNVOCYPGSA-N 1 0 314.139 1.577 20 5 DDBDRO CCN(C(=O)COc1ccccc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC001122495765 858852804 /nfs/dbraw/zinc/85/28/04/858852804.db2.gz FNBJERMYNWXWLN-UHFFFAOYSA-N 1 0 307.350 1.574 20 5 DDBDRO Cc1cnc(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)cn1 ZINC001122916303 859005166 /nfs/dbraw/zinc/00/51/66/859005166.db2.gz FJXBDROQHSDUNX-UHFFFAOYSA-N 1 0 315.333 1.213 20 5 DDBDRO Cc1c(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)cnn1C ZINC001123592293 859316590 /nfs/dbraw/zinc/31/65/90/859316590.db2.gz ROXPJPYJUSIKRF-UHFFFAOYSA-N 1 0 317.349 1.156 20 5 DDBDRO Cc1ncsc1C(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001124042120 859545719 /nfs/dbraw/zinc/54/57/19/859545719.db2.gz PSEONHXBGMKCAY-UHFFFAOYSA-N 1 0 320.374 1.879 20 5 DDBDRO O=c1c(Br)cc([N+](=O)[O-])cn1C[C@@H]1CCC[NH2+]C1 ZINC001326017877 861042629 /nfs/dbraw/zinc/04/26/29/861042629.db2.gz JHGKIVLOVOWCKC-MRVPVSSYSA-N 1 0 316.155 1.519 20 5 DDBDRO COc1nc(C)c([N+](=O)[O-])c(N2CC[C@H]([N@H+](C)C(C)C)C2)n1 ZINC001157010832 863514989 /nfs/dbraw/zinc/51/49/89/863514989.db2.gz TZHCSYMTCVJHCL-NSHDSACASA-N 1 0 309.370 1.621 20 5 DDBDRO O=[N+]([O-])c1cc(NCC[NH+]2CCSCC2)nc2[nH]ccc21 ZINC001157045497 863536568 /nfs/dbraw/zinc/53/65/68/863536568.db2.gz JGQYMILPLLFTHG-UHFFFAOYSA-N 1 0 307.379 1.932 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)CN(C[C@@H](O)CC1(O)CCC1)CC2 ZINC001329224489 863546960 /nfs/dbraw/zinc/54/69/60/863546960.db2.gz YHXITANBWMPPBU-HNNXBMFYSA-N 1 0 306.362 1.619 20 5 DDBDRO C[C@@H]1CN(c2ncnc3c(Cl)cc([N+](=O)[O-])cc32)CC[NH2+]1 ZINC001329735519 863819596 /nfs/dbraw/zinc/81/95/96/863819596.db2.gz VFPUYGPOPHYTMF-MRVPVSSYSA-N 1 0 307.741 1.990 20 5 DDBDRO O=C(NCCC[NH2+]Cc1c(F)cccc1F)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157760347 864111628 /nfs/dbraw/zinc/11/16/28/864111628.db2.gz DCUQJIGLLZAGJP-NOZJJQNGSA-N 1 0 313.304 1.226 20 5 DDBDRO CCc1ccccc1C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157767434 864117859 /nfs/dbraw/zinc/11/78/59/864117859.db2.gz MSIQAIBLAZTMCG-HUUCEWRRSA-N 1 0 305.378 1.510 20 5 DDBDRO [NH3+]Cc1cccc2c1cnn2-c1cc([N+](=O)[O-])cc(Cl)[n+]1[O-] ZINC001158311339 864569195 /nfs/dbraw/zinc/56/91/95/864569195.db2.gz MZJDGIHPQMQOGV-UHFFFAOYSA-N 1 0 319.708 1.679 20 5 DDBDRO O=[N+]([O-])c1cc(Cl)cnc1NCc1ncn2c1C[NH2+]CCC2 ZINC001158355602 864598762 /nfs/dbraw/zinc/59/87/62/864598762.db2.gz BQXSZKNBKOZJGK-UHFFFAOYSA-N 1 0 322.756 1.945 20 5 DDBDRO CO[C@@H]1CCN(c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)[C@H](C)C1 ZINC001158903290 864966832 /nfs/dbraw/zinc/96/68/32/864966832.db2.gz SWGPUDBZJHYJOW-MWLCHTKSSA-N 1 0 307.354 1.075 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1c(Cl)nccc1[N+](=O)[O-] ZINC001225430820 881829392 /nfs/dbraw/zinc/82/93/92/881829392.db2.gz GTHCTLYKXZKRGL-MRVPVSSYSA-N 1 0 318.737 1.006 20 5 DDBDRO Cc1nc(NC[C@H]2O[C@@H](C(C)C)O[C@@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC001159237852 865178083 /nfs/dbraw/zinc/17/80/83/865178083.db2.gz FGKLZTWYRNLDII-BZPMIXESSA-N 1 0 310.354 1.435 20 5 DDBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001159657634 865452128 /nfs/dbraw/zinc/45/21/28/865452128.db2.gz NKTGECYUAHAHMC-RQJHMYQMSA-N 1 0 301.734 1.136 20 5 DDBDRO COc1nc(N2c3ccccc3OC[C@H]2C[NH3+])ncc1[N+](=O)[O-] ZINC001160195960 865719859 /nfs/dbraw/zinc/71/98/59/865719859.db2.gz QFNXJHCXJNDOTB-SECBINFHSA-N 1 0 317.305 1.251 20 5 DDBDRO [NH3+]CCc1nc(C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)cs1 ZINC001332450062 865849089 /nfs/dbraw/zinc/84/90/89/865849089.db2.gz BXESRJXMCDCNJA-UHFFFAOYSA-N 1 0 318.358 1.709 20 5 DDBDRO COc1nc(C)c([N+](=O)[O-])c(NCc2ccccc2C[NH3+])n1 ZINC001160907136 866181097 /nfs/dbraw/zinc/18/10/97/866181097.db2.gz KMNNQJVNJOAEIQ-UHFFFAOYSA-N 1 0 303.322 1.773 20 5 DDBDRO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC001320750991 867002022 /nfs/dbraw/zinc/00/20/22/867002022.db2.gz RSJRIPIMPLOPSY-UONOGXRCSA-N 1 0 306.366 1.780 20 5 DDBDRO C[C@@H]1C[NH2+]CCC[C@H]1CNc1ccc([N+](=O)[O-])c(C(N)=O)n1 ZINC001162456420 867548571 /nfs/dbraw/zinc/54/85/71/867548571.db2.gz WQXLVFKSWMTNTR-ZJUUUORDSA-N 1 0 307.354 1.136 20 5 DDBDRO C[NH2+][C@@H](C)CCNC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC001325371579 867975472 /nfs/dbraw/zinc/97/54/72/867975472.db2.gz KVDBUFRRIFTQKC-NSHDSACASA-N 1 0 310.354 1.271 20 5 DDBDRO O=[N+]([O-])c1c2[nH]cnc2ccc1NC[C@@H]1OC[C@H]2C[NH2+]CC[C@H]21 ZINC001163176890 868192697 /nfs/dbraw/zinc/19/26/97/868192697.db2.gz ZTVFSLBMOKYMBA-BREBYQMCSA-N 1 0 317.349 1.508 20 5 DDBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N(C(C)C)C(C)(C)C[NH3+])n1 ZINC001163188930 868199484 /nfs/dbraw/zinc/19/94/84/868199484.db2.gz JGIASODSJRAUAE-UHFFFAOYSA-N 1 0 324.385 1.604 20 5 DDBDRO CC(C)(C)c1ccc(N[C@@]23CC[NH2+][C@H]2CC(=O)N3)c([N+](=O)[O-])c1 ZINC001163252786 868260502 /nfs/dbraw/zinc/26/05/02/868260502.db2.gz WZSNPNAXVJWIAM-XJKSGUPXSA-N 1 0 318.377 1.882 20 5 DDBDRO C[C@H](C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)N1CCCCC1=O ZINC001335447667 868304189 /nfs/dbraw/zinc/30/41/89/868304189.db2.gz IGJUGYHYXCOHEC-DOMZBBRYSA-N 1 0 321.377 1.619 20 5 DDBDRO O=[N+]([O-])c1cc(N[C@H]2C[NH2+][C@@H]3CCO[C@@H]32)cc2cccnc21 ZINC001163343059 868374361 /nfs/dbraw/zinc/37/43/61/868374361.db2.gz RMLFMVXKJALKQM-XUJVJEKNSA-N 1 0 300.318 1.684 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cnccc1Br ZINC001226069568 882188382 /nfs/dbraw/zinc/18/83/82/882188382.db2.gz LUJQNBQPPYLFHP-SECBINFHSA-N 1 0 318.191 1.207 20 5 DDBDRO Nc1ccnc(N[C@H]2CCCC[C@@]23C[NH2+]CCO3)c1[N+](=O)[O-] ZINC001163645656 868587729 /nfs/dbraw/zinc/58/77/29/868587729.db2.gz ZWQUARFZXGWPEU-SMDDNHRTSA-N 1 0 307.354 1.285 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)CN[C@H]2C[C@@H]([NH+]3CCCC3)C2)cc1 ZINC001336839088 869175721 /nfs/dbraw/zinc/17/57/21/869175721.db2.gz JMFQXIRPEHYWSS-VNQPRFMTSA-N 1 0 305.378 1.845 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)[NH2+]CCCC(F)(F)F)cc1 ZINC001336840821 869176785 /nfs/dbraw/zinc/17/67/85/869176785.db2.gz AHBKRJXBWWQYRH-VXGBXAGGSA-N 1 0 322.283 1.921 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@H](C[NH3+])CC[C@@H]1C ZINC001164460688 869207604 /nfs/dbraw/zinc/20/76/04/869207604.db2.gz FTVRYHQAXTYFFU-UWVGGRQHSA-N 1 0 308.338 1.340 20 5 DDBDRO C[NH+]1CCC(C2CCN(c3cc([N+](=O)[O-])cc[n+]3[O-])CC2)CC1 ZINC001165065003 869359000 /nfs/dbraw/zinc/35/90/00/869359000.db2.gz BBYAHUSSJSYFHO-UHFFFAOYSA-N 1 0 320.393 1.786 20 5 DDBDRO [NH3+][C@@H]1CN(C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)C[C@@H]1F ZINC001165116960 869385870 /nfs/dbraw/zinc/38/58/70/869385870.db2.gz LIQYIWXYVPGDBS-JGVFFNPUSA-N 1 0 310.663 1.674 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@@H](O)c2cccnc2)c1 ZINC001338420244 869971310 /nfs/dbraw/zinc/97/13/10/869971310.db2.gz WGTKGVHXYLKCLY-HUUCEWRRSA-N 1 0 303.318 1.346 20 5 DDBDRO CCOCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001317103105 870252149 /nfs/dbraw/zinc/25/21/49/870252149.db2.gz DOLFBNMDECWYFR-PHIMTYICSA-N 1 0 313.379 1.430 20 5 DDBDRO CCn1c([C@@H](C)[N+](=O)[O-])nnc1N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC001339340147 870452332 /nfs/dbraw/zinc/45/23/32/870452332.db2.gz MOXKTVBMGJSKGB-XQQFMLRXSA-N 1 0 324.429 1.802 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc(-c2ccccc2)nn1 ZINC001226501305 882469277 /nfs/dbraw/zinc/46/92/77/882469277.db2.gz WXGIUYGAXLUCPQ-CQSZACIVSA-N 1 0 316.381 1.506 20 5 DDBDRO C[C@@H]1CN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])CC[C@H]1C[NH3+] ZINC001341251091 871577507 /nfs/dbraw/zinc/57/75/07/871577507.db2.gz QRBQUGSKLFTJFA-OLZOCXBDSA-N 1 0 320.393 1.474 20 5 DDBDRO CN(C(=O)CCc1cccc([N+](=O)[O-])c1)C1(C[NH3+])CCOCC1 ZINC001341334878 871611551 /nfs/dbraw/zinc/61/15/51/871611551.db2.gz YMZSVALZGCUWGL-UHFFFAOYSA-N 1 0 321.377 1.494 20 5 DDBDRO O=C(NCCNc1ccc([N+](=O)[O-])cc1)C1=CCC[NH2+]CC1 ZINC001341430662 871658871 /nfs/dbraw/zinc/65/88/71/871658871.db2.gz GQPXZRTZLPLPKG-UHFFFAOYSA-N 1 0 304.350 1.433 20 5 DDBDRO [NH3+]C[C@]12CC[C@@H]1CCN2C(=O)COc1cccc([N+](=O)[O-])c1 ZINC001341480479 871675384 /nfs/dbraw/zinc/67/53/84/871675384.db2.gz CQISYGDUBDBYMW-IAQYHMDHSA-N 1 0 305.334 1.313 20 5 DDBDRO C[C@@H](NC(=O)N[C@H]1Cc2cncn2C1)c1cccc([N+](=O)[O-])c1 ZINC001311608104 871709128 /nfs/dbraw/zinc/70/91/28/871709128.db2.gz ANIIUZNZDJNXDQ-PWSUYJOCSA-N 1 0 315.333 1.776 20 5 DDBDRO Cc1cc(NC(=O)[C@@H]2[NH2+]CC23CCOCC3)cc([N+](=O)[O-])c1 ZINC001343681007 872715538 /nfs/dbraw/zinc/71/55/38/872715538.db2.gz ICIUZRIIVIHNOC-ZDUSSCGKSA-N 1 0 305.334 1.610 20 5 DDBDRO CCN(C(=O)CCOc1ccccc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC001343733663 872738895 /nfs/dbraw/zinc/73/88/95/872738895.db2.gz XZAKTVOKSIDSOZ-UHFFFAOYSA-N 1 0 321.377 1.964 20 5 DDBDRO [NH3+][C@H]1CCCC[C@@H]1C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC001346017127 873590520 /nfs/dbraw/zinc/59/05/20/873590520.db2.gz JYSRIXMCLVCOKG-KBPBESRZSA-N 1 0 306.366 1.640 20 5 DDBDRO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3[O-])[C@H]2C1 ZINC001347597692 874205739 /nfs/dbraw/zinc/20/57/39/874205739.db2.gz RYERSXZWKPHXGH-TVYUQYBPSA-N 1 0 305.334 1.370 20 5 DDBDRO CCc1cc2c(ncnc2OC(=O)C[C@@H](O)C[N+](C)(C)C)s1 ZINC001227100078 882833955 /nfs/dbraw/zinc/83/39/55/882833955.db2.gz DCIIDVSYYMZROF-SNVBAGLBSA-N 1 0 324.426 1.616 20 5 DDBDRO CCN(C(=O)CN(C)c1ccccc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC001353163574 877155188 /nfs/dbraw/zinc/15/51/88/877155188.db2.gz WTIGEFFRGSFEQU-LBPRGKRZSA-N 1 0 306.366 1.241 20 5 DDBDRO CNC(=O)c1ccc(N[C@@H]2CC[C@@H]3C[N@H+](C)C[C@H]23)c([N+](=O)[O-])c1 ZINC001354400833 877953409 /nfs/dbraw/zinc/95/34/09/877953409.db2.gz LZAATGFZRANWCD-FRRDWIJNSA-N 1 0 318.377 1.707 20 5 DDBDRO COc1ccc(CC(=O)N2C[C@@H](C)[C@H](CC[NH3+])C2)cc1[N+](=O)[O-] ZINC001354719907 878176420 /nfs/dbraw/zinc/17/64/20/878176420.db2.gz LUCALAVOUGZNQT-DGCLKSJQSA-N 1 0 321.377 1.589 20 5 DDBDRO Cc1[nH]c(=O)cc(O[C@H]2C[C@@H]3CC(=O)C[C@H]2[N@@H+]3C)c1[N+](=O)[O-] ZINC001228686843 883619126 /nfs/dbraw/zinc/61/91/26/883619126.db2.gz RMNAYGGAQFNRKM-GDPRMGEGSA-N 1 0 307.306 1.187 20 5 DDBDRO COC(=O)c1cc(OC[C@@H]2CN(C)CCO2)cc([N+](=O)[O-])c1 ZINC001228772375 883662325 /nfs/dbraw/zinc/66/23/25/883662325.db2.gz WDTLUUXOPWZYFM-ZDUSSCGKSA-N 1 0 310.306 1.091 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])ccc1O[C@@H](C)CN1CCOCC1 ZINC001229056038 883794356 /nfs/dbraw/zinc/79/43/56/883794356.db2.gz JXCMCQXEOOQIHI-NSHDSACASA-N 1 0 324.333 1.481 20 5 DDBDRO COc1cccc(C(C)=O)c1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001229710122 884122125 /nfs/dbraw/zinc/12/21/25/884122125.db2.gz DYWZAZPEMQZBCK-GFCCVEGCSA-N 1 0 310.370 1.260 20 5 DDBDRO CCc1cc(F)c(OC(=O)C[C@@H](O)C[N+](C)(C)C)c(F)c1 ZINC001229966896 884253892 /nfs/dbraw/zinc/25/38/92/884253892.db2.gz MCBFOZSAELSXSY-LLVKDONJSA-N 1 0 302.341 1.890 20 5 DDBDRO OC[C@H]1C[N@H+](Cc2ccc3ccc4cccnc4c3n2)C[C@@H]1O ZINC001232219396 886166197 /nfs/dbraw/zinc/16/61/97/886166197.db2.gz TZIRRFBKKKXJGR-ZBFHGGJFSA-N 1 0 309.369 1.568 20 5 DDBDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001290769109 913505716 /nfs/dbraw/zinc/50/57/16/913505716.db2.gz IBDFYENJLRLJOQ-NSHDSACASA-N 1 0 306.366 1.781 20 5 DDBDRO COc1ccc(C[C@H](C)[NH2+][C@@H]2CCNC[C@@H]2F)c([N+](=O)[O-])c1 ZINC001246087557 892409060 /nfs/dbraw/zinc/40/90/60/892409060.db2.gz OZWDOPFCTPYFKC-LEWSCRJBSA-N 1 0 311.357 1.824 20 5 DDBDRO COc1ccc(C[C@@H](C)N2CC[C@H]3C[C@@]3([NH3+])C2)c([N+](=O)[O-])c1 ZINC001246658896 892772236 /nfs/dbraw/zinc/77/22/36/892772236.db2.gz QCOGNJSQYHFHRG-PVXIVEMSSA-N 1 0 305.378 1.958 20 5 DDBDRO COC(=O)[C@@H]1C[C@H]([NH3+])CN1[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001246903693 892979645 /nfs/dbraw/zinc/97/96/45/892979645.db2.gz KSRGJXOBTOSQII-OSMZGAPFSA-N 1 0 307.350 1.100 20 5 DDBDRO [NH3+]C[C@@H](O)Cc1nc(-c2ccc3ccc4cccnc4c3n2)no1 ZINC001247501398 893214203 /nfs/dbraw/zinc/21/42/03/893214203.db2.gz YWXJEUWXNLCJTG-LBPRGKRZSA-N 1 0 321.340 1.695 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]CC1CCS(=O)(=O)CC1)C2 ZINC001254574447 896508846 /nfs/dbraw/zinc/50/88/46/896508846.db2.gz HKHQEDQOEVHYNP-AWEZNQCLSA-N 1 0 324.402 1.476 20 5 DDBDRO O=C1NCC[C@@]12CCC[N@@H+]([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254598324 896523794 /nfs/dbraw/zinc/52/37/94/896523794.db2.gz WHRJMOOUTXTYJI-DOTOQJQBSA-N 1 0 315.373 1.664 20 5 DDBDRO CCOC(=O)[C@@H]1CC[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254605013 896526415 /nfs/dbraw/zinc/52/64/15/896526415.db2.gz ZTGIHZHPVJIJNU-IUODEOHRSA-N 1 0 304.346 1.947 20 5 DDBDRO COc1cc(N2CCC([NH2+]C[C@H](C)O)CC2)ccc1[N+](=O)[O-] ZINC001256083448 897279311 /nfs/dbraw/zinc/27/93/11/897279311.db2.gz VHPFOGGOTQTYRK-NSHDSACASA-N 1 0 309.366 1.543 20 5 DDBDRO COc1cc(N2CCC([N@H+](C)C3COC3)CC2)ccc1[N+](=O)[O-] ZINC001256098941 897282535 /nfs/dbraw/zinc/28/25/35/897282535.db2.gz GJIGLXOYSKSMCX-UHFFFAOYSA-N 1 0 321.377 1.903 20 5 DDBDRO Cc1c(CC(=O)N[C@H]2C[NH+]3CCC2CC3)cccc1[N+](=O)[O-] ZINC001262639063 900282912 /nfs/dbraw/zinc/28/29/12/900282912.db2.gz RHSPKWJSBICKAM-AWEZNQCLSA-N 1 0 303.362 1.656 20 5 DDBDRO CCn1c(CCC[N+](=O)[O-])nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001263008769 900466519 /nfs/dbraw/zinc/46/65/19/900466519.db2.gz IQFMPDZBQTZMNS-UHFFFAOYSA-N 1 0 324.429 1.474 20 5 DDBDRO C[C@@H]([NH2+]CCN1CCCS1(=O)=O)c1ccccc1[N+](=O)[O-] ZINC000358125860 299083284 /nfs/dbraw/zinc/08/32/84/299083284.db2.gz IUEMODHUOCBDIA-LLVKDONJSA-N 1 0 313.379 1.281 20 5 DDBDRO O=C(/C=C\c1ccccc1[N+](=O)[O-])N1CC[N@@H+]2CCC[C@H]2C1 ZINC000255417900 282255983 /nfs/dbraw/zinc/25/59/83/282255983.db2.gz NBTVRIHNBQAFBW-DANTVBBOSA-N 1 0 301.346 1.915 20 5 DDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]([NH3+])CC ZINC000420472274 529731036 /nfs/dbraw/zinc/73/10/36/529731036.db2.gz SEOLLDZLDGQTER-JTQLQIEISA-N 1 0 301.368 1.173 20 5 DDBDRO C[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C[C@H]1CCCCO1 ZINC000255831611 282280419 /nfs/dbraw/zinc/28/04/19/282280419.db2.gz KGURSSPIIOIYIP-GDBMZVCRSA-N 1 0 324.377 1.835 20 5 DDBDRO CN(C)c1ncc(C[NH2+]CCc2ccccc2[N+](=O)[O-])n1C ZINC000414357635 529809213 /nfs/dbraw/zinc/80/92/13/529809213.db2.gz JRMVCRDJIWSNHJ-UHFFFAOYSA-N 1 0 303.366 1.727 20 5 DDBDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)c3c(N)cccc3[N+](=O)[O-])[C@@H]2C1 ZINC000425063977 529822716 /nfs/dbraw/zinc/82/27/16/529822716.db2.gz GVOLTCURYFQOMQ-GXFFZTMASA-N 1 0 304.350 1.343 20 5 DDBDRO C[C@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)C1=CC[N@H+](C)CC1 ZINC000272748878 210152272 /nfs/dbraw/zinc/15/22/72/210152272.db2.gz NYZOGGJQKYFWBP-LBPRGKRZSA-N 1 0 303.362 1.904 20 5 DDBDRO C[NH2+]C[C@H]1CCCN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000430624997 530001675 /nfs/dbraw/zinc/00/16/75/530001675.db2.gz JVJBXFWLJKOOES-CHWSQXEVSA-N 1 0 320.393 1.853 20 5 DDBDRO C[NH2+]C[C@@H]1CCN(CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000430953965 529993164 /nfs/dbraw/zinc/99/31/64/529993164.db2.gz VHRWCURLHYHKCY-NSHDSACASA-N 1 0 322.365 1.083 20 5 DDBDRO CCCNC(=O)NC(=O)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181811538 199355049 /nfs/dbraw/zinc/35/50/49/199355049.db2.gz HPFCMWVERUBMCL-NSHDSACASA-N 1 0 322.365 1.790 20 5 DDBDRO C[C@H]1CN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)[C@@H](C)C[NH2+]1 ZINC000272646694 210049979 /nfs/dbraw/zinc/04/99/79/210049979.db2.gz YLZWUTVXZBBIOA-UWVGGRQHSA-N 1 0 311.313 1.322 20 5 DDBDRO C[NH2+][C@@H]1CCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000133033288 290816411 /nfs/dbraw/zinc/81/64/11/290816411.db2.gz XPVUPHJUULWNKS-SECBINFHSA-N 1 0 319.770 1.231 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC[C@H]1CC[NH3+] ZINC000564563991 304001380 /nfs/dbraw/zinc/00/13/80/304001380.db2.gz LOYBROSFUCXHJF-NSHDSACASA-N 1 0 307.350 1.947 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CC1(S(C)(=O)=O)CCC1 ZINC000279904710 215223739 /nfs/dbraw/zinc/22/37/39/215223739.db2.gz WIOBNRUZGWUKJL-UHFFFAOYSA-N 1 0 312.391 1.960 20 5 DDBDRO COC(=O)c1cc(C)nc(NCC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000287070418 219296167 /nfs/dbraw/zinc/29/61/67/219296167.db2.gz SWJRKFBDHCBXKN-UHFFFAOYSA-N 1 0 308.338 1.593 20 5 DDBDRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2[nH]ncc2[N+](=O)[O-])C1 ZINC000138226314 186014737 /nfs/dbraw/zinc/01/47/37/186014737.db2.gz NENGFHYCNVQBEL-JTQLQIEISA-N 1 0 309.370 1.558 20 5 DDBDRO CCCC[C@H](C[NH3+])NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000150310559 186056590 /nfs/dbraw/zinc/05/65/90/186056590.db2.gz QZAGJTGSYRVVQK-SNVBAGLBSA-N 1 0 301.368 1.391 20 5 DDBDRO C[NH+](C)C[C@](C)(O)CNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000152606024 186088797 /nfs/dbraw/zinc/08/87/97/186088797.db2.gz HLXSHIDWGCZIOJ-CYBMUJFWSA-N 1 0 315.757 1.291 20 5 DDBDRO Cc1cccnc1C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000564845112 304019096 /nfs/dbraw/zinc/01/90/96/304019096.db2.gz UERVSCXDDVPHHG-CYBMUJFWSA-N 1 0 317.345 1.828 20 5 DDBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000172041311 198030046 /nfs/dbraw/zinc/03/00/46/198030046.db2.gz UTQRTFHLXYIGHF-GFCCVEGCSA-N 1 0 309.370 1.172 20 5 DDBDRO C[NH+](C)CC[C@@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)C(C)(C)C ZINC000172266455 198068558 /nfs/dbraw/zinc/06/85/58/198068558.db2.gz KXGSRNOPFYTKGC-GFCCVEGCSA-N 1 0 311.386 1.274 20 5 DDBDRO O=C(COc1ccccc1[N+](=O)[O-])NC1CC[NH+](C2CC2)CC1 ZINC000029091526 352235100 /nfs/dbraw/zinc/23/51/00/352235100.db2.gz XMQJQQZINFJKBU-UHFFFAOYSA-N 1 0 319.361 1.717 20 5 DDBDRO Cc1n[nH]c(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000064336573 352934684 /nfs/dbraw/zinc/93/46/84/352934684.db2.gz UVEHVRCINNNFBL-JTQLQIEISA-N 1 0 323.378 1.721 20 5 DDBDRO C[NH+](C)C1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000063734965 352922211 /nfs/dbraw/zinc/92/22/11/352922211.db2.gz XMZWJYSZIJGBDM-UHFFFAOYSA-N 1 0 307.350 1.526 20 5 DDBDRO C[N@H+](CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C1CC1 ZINC000066924606 353025778 /nfs/dbraw/zinc/02/57/78/353025778.db2.gz VUCWYACYRDTNSX-UHFFFAOYSA-N 1 0 321.333 1.190 20 5 DDBDRO COc1ccc(CC(=O)N(C)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000069550282 353167687 /nfs/dbraw/zinc/16/76/87/353167687.db2.gz HZRSVFHPNXELKV-UHFFFAOYSA-N 1 0 321.377 1.699 20 5 DDBDRO Cc1[nH]nc(C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)c1[N+](=O)[O-] ZINC000072878028 353223457 /nfs/dbraw/zinc/22/34/57/353223457.db2.gz CGLABKKNGRHBCP-UHFFFAOYSA-N 1 0 313.277 1.459 20 5 DDBDRO CC[NH+](CC)[C@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])nc2C)C1 ZINC000174145218 198297374 /nfs/dbraw/zinc/29/73/74/198297374.db2.gz AUKYEWUKQNSADG-LBPRGKRZSA-N 1 0 309.370 1.042 20 5 DDBDRO CCC[N@H+](CC)CCNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000174673063 198368845 /nfs/dbraw/zinc/36/88/45/198368845.db2.gz OVOUVJYNXDMNSG-UHFFFAOYSA-N 1 0 309.366 1.822 20 5 DDBDRO CC[NH+]1CCN([C@H](C)CNc2ncc(C)cc2[N+](=O)[O-])CC1 ZINC000078630669 353526292 /nfs/dbraw/zinc/52/62/92/353526292.db2.gz JLWQZJYKHWNDOR-CYBMUJFWSA-N 1 0 307.398 1.736 20 5 DDBDRO COC[C@@](C)(CC(=O)OC)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000078661359 353527092 /nfs/dbraw/zinc/52/70/92/353527092.db2.gz GNUNIFDUCGHOLZ-OAHLLOKOSA-N 1 0 310.350 1.961 20 5 DDBDRO Cc1cnc(N2CC[NH+](CC3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000078665273 353527236 /nfs/dbraw/zinc/52/72/36/353527236.db2.gz HAPGEFWGQDLKFM-UHFFFAOYSA-N 1 0 320.393 1.847 20 5 DDBDRO O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)[C@@H]1C[C@@H]1[N+](=O)[O-] ZINC000140004038 354133416 /nfs/dbraw/zinc/13/34/16/354133416.db2.gz CEVOVUOLUANJJF-YUTCNCBUSA-N 1 0 323.418 1.742 20 5 DDBDRO O=C1NCCN1[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000139008141 354124980 /nfs/dbraw/zinc/12/49/80/354124980.db2.gz MGUNDAUQICQWRY-AWEZNQCLSA-N 1 0 304.350 1.584 20 5 DDBDRO CC[NH2+][C@@H](C)CNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000357240086 291028292 /nfs/dbraw/zinc/02/82/92/291028292.db2.gz JAKXUJVMMQCOBQ-NSHDSACASA-N 1 0 317.349 1.508 20 5 DDBDRO CC(C)([NH3+])CCC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000320584145 354527917 /nfs/dbraw/zinc/52/79/17/354527917.db2.gz OVLNRSMHSZFMRM-UHFFFAOYSA-N 1 0 320.393 1.761 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](C)C[C@H](C)[NH3+])cc1C ZINC000320756191 354529191 /nfs/dbraw/zinc/52/91/91/354529191.db2.gz WNKUKTKPDNVEGU-QWRGUYRKSA-N 1 0 315.395 1.616 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000316096145 354500006 /nfs/dbraw/zinc/50/00/06/354500006.db2.gz NCLRFIVAFHTFEC-CYBMUJFWSA-N 1 0 306.366 1.538 20 5 DDBDRO C[NH+](C)C[C@](C)(O)CNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000318568384 354516651 /nfs/dbraw/zinc/51/66/51/354516651.db2.gz BEAYCDHSVTWROF-CQSZACIVSA-N 1 0 305.338 1.263 20 5 DDBDRO Cc1ccc(C[NH2+][C@@H]2CCN(S(C)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000400236362 354661261 /nfs/dbraw/zinc/66/12/61/354661261.db2.gz VBLWDMYVMZHJJX-GFCCVEGCSA-N 1 0 313.379 1.027 20 5 DDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C[C@H]2CC23CC3)cc1 ZINC000584775542 354764446 /nfs/dbraw/zinc/76/44/46/354764446.db2.gz NBZDMQLTIZXCHJ-LLVKDONJSA-N 1 0 310.375 1.758 20 5 DDBDRO O=c1c(F)cc([N+](=O)[O-])cn1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000565045037 304039941 /nfs/dbraw/zinc/03/99/41/304039941.db2.gz WGKRCVIWEJMLDV-UHFFFAOYSA-N 1 0 303.293 1.590 20 5 DDBDRO C[N@@H+]1CC[C@]2(CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3F)C2)C1 ZINC000346292085 283058403 /nfs/dbraw/zinc/05/84/03/283058403.db2.gz AZGNKBRZTKIUHA-INIZCTEOSA-N 1 0 321.352 1.831 20 5 DDBDRO C[C@@H](C[NH3+])N(C)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000237488022 295894179 /nfs/dbraw/zinc/89/41/79/295894179.db2.gz OQTRQZXVYLIHIL-ZETCQYMHSA-N 1 0 307.759 1.216 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H](CCO)C(C)C)c1 ZINC000589506567 354997995 /nfs/dbraw/zinc/99/79/95/354997995.db2.gz DEQQSRXZNYKLNR-ZDUSSCGKSA-N 1 0 310.350 1.878 20 5 DDBDRO C[N@@H+]1C[C@H]2CCN(C(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)[C@H]2C1 ZINC000590044700 355043511 /nfs/dbraw/zinc/04/35/11/355043511.db2.gz MFTWICXGYRRWNP-RISCZKNCSA-N 1 0 314.345 1.852 20 5 DDBDRO Nc1ccc(N2CCC(C[NH+]3CCOCC3)CC2)nc1[N+](=O)[O-] ZINC000590573232 355117695 /nfs/dbraw/zinc/11/76/95/355117695.db2.gz VLFKNPLCVJSRIZ-UHFFFAOYSA-N 1 0 321.381 1.121 20 5 DDBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]C[C@@H](O)C1CCC1)OCCO2 ZINC000590663619 355139570 /nfs/dbraw/zinc/13/95/70/355139570.db2.gz LPLYJKRTPDTEEC-CYBMUJFWSA-N 1 0 308.334 1.617 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3c[nH]c4ccc([N+](=O)[O-])cc34)C[C@@H]21 ZINC000590776537 355176418 /nfs/dbraw/zinc/17/64/18/355176418.db2.gz VWLJFNZFBBZPIK-BMIGLBTASA-N 1 0 314.345 1.852 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H]1CCCNC1=O ZINC000590971759 355227504 /nfs/dbraw/zinc/22/75/04/355227504.db2.gz KURYUHOEFBXPSS-LLVKDONJSA-N 1 0 307.350 1.609 20 5 DDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000591353345 355296642 /nfs/dbraw/zinc/29/66/42/355296642.db2.gz XHNRKZJBXVIWSW-JSGCOSHPSA-N 1 0 318.377 1.531 20 5 DDBDRO CC(C)(NC(=O)NCC[NH2+]C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000591359170 355299473 /nfs/dbraw/zinc/29/94/73/355299473.db2.gz QVNHZAPWMABTFF-UHFFFAOYSA-N 1 0 306.366 1.881 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@H]2CCc3cccnc3CC2)c1 ZINC000591531679 355323822 /nfs/dbraw/zinc/32/38/22/355323822.db2.gz ORUHVTZQRYDDOZ-ZDUSSCGKSA-N 1 0 301.350 1.724 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000591298578 355283149 /nfs/dbraw/zinc/28/31/49/355283149.db2.gz FZJLKPFCDQTFIJ-RISCZKNCSA-N 1 0 322.365 1.792 20 5 DDBDRO COc1ccc(NC(=O)N2CCC(C)([NH3+])CC2)cc1[N+](=O)[O-] ZINC000591297631 355283309 /nfs/dbraw/zinc/28/33/09/355283309.db2.gz NLNGINFLBLTZLW-UHFFFAOYSA-N 1 0 308.338 1.949 20 5 DDBDRO CN1CCC[C@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000591733987 355373862 /nfs/dbraw/zinc/37/38/62/355373862.db2.gz SJHFNNOYBYLQBE-QWHCGFSZSA-N 1 0 309.366 1.018 20 5 DDBDRO CN(CC(C)(C)C[NH3+])C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000591677550 355360025 /nfs/dbraw/zinc/36/00/25/355360025.db2.gz LOSSTJGDBYZBEM-UHFFFAOYSA-N 1 0 323.349 1.423 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)n1 ZINC000592255403 355547572 /nfs/dbraw/zinc/54/75/72/355547572.db2.gz KDGKJZMRALCGNM-RYUDHWBXSA-N 1 0 321.381 1.273 20 5 DDBDRO Cc1c(Br)c(=O)n(C[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000592168303 355524729 /nfs/dbraw/zinc/52/47/29/355524729.db2.gz QKHNQKJYMHFMAX-MRVPVSSYSA-N 1 0 316.155 1.437 20 5 DDBDRO CC1([NH3+])CCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000592431682 355581864 /nfs/dbraw/zinc/58/18/64/355581864.db2.gz ZIMNYHKUNRSQGD-UHFFFAOYSA-N 1 0 307.350 1.679 20 5 DDBDRO COc1cc(CN2CCC(C)([NH3+])CC2)c([N+](=O)[O-])cc1OC ZINC000592431542 355582157 /nfs/dbraw/zinc/58/21/57/355582157.db2.gz CLRGARXQMSQZBQ-UHFFFAOYSA-N 1 0 309.366 1.925 20 5 DDBDRO COC(=O)[C@@H]1C[NH2+]CCCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000592489376 355597862 /nfs/dbraw/zinc/59/78/62/355597862.db2.gz RQDKADKEEQJXAX-ZDUSSCGKSA-N 1 0 311.313 1.071 20 5 DDBDRO C[NH2+]C[C@@H]1CCCN1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000592427808 355580111 /nfs/dbraw/zinc/58/01/11/355580111.db2.gz HOCDCZVZKMWUPV-LBPRGKRZSA-N 1 0 307.350 1.550 20 5 DDBDRO [NH3+]Cc1cc(C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)co1 ZINC000592562755 355629480 /nfs/dbraw/zinc/62/94/80/355629480.db2.gz MRKDUPFOFRIHQJ-UHFFFAOYSA-N 1 0 302.290 1.240 20 5 DDBDRO C[NH+](C)[C@H](CNC(=O)Cc1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000593415804 355879062 /nfs/dbraw/zinc/87/90/62/355879062.db2.gz VTFOKCQIWYHDDY-CQSZACIVSA-N 1 0 309.341 1.733 20 5 DDBDRO C[NH+](C)CC[C@H](N)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000593907448 356053189 /nfs/dbraw/zinc/05/31/89/356053189.db2.gz OYMUSYPDOWVYGD-AWEZNQCLSA-N 1 0 320.393 1.365 20 5 DDBDRO Cn1c(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)ccc1[N+](=O)[O-] ZINC000594204727 356139017 /nfs/dbraw/zinc/13/90/17/356139017.db2.gz XSYHNFBNPQEGOI-RYUDHWBXSA-N 1 0 306.366 1.680 20 5 DDBDRO O=C([C@H]1C[C@]12CCC[NH2+]C2)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000594427182 356208452 /nfs/dbraw/zinc/20/84/52/356208452.db2.gz GMMGANKSBCFFBR-CJNGLKHVSA-N 1 0 301.346 1.874 20 5 DDBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000594601413 356262222 /nfs/dbraw/zinc/26/22/22/356262222.db2.gz AMDPOXHAPMKTIG-QWHCGFSZSA-N 1 0 305.334 1.053 20 5 DDBDRO C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000594965680 356364694 /nfs/dbraw/zinc/36/46/94/356364694.db2.gz RDAKGWPYFPUZGD-AWEZNQCLSA-N 1 0 308.426 1.956 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@H]1C[N@H+](C)CCN1C ZINC000595017606 356372789 /nfs/dbraw/zinc/37/27/89/356372789.db2.gz KSTURMJKVCDXLH-JSGCOSHPSA-N 1 0 322.409 1.500 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000595260813 356424467 /nfs/dbraw/zinc/42/44/67/356424467.db2.gz LOHALOUZTGMBEH-NXEZZACHSA-N 1 0 311.313 1.505 20 5 DDBDRO Cc1noc(CN2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c1[N+](=O)[O-] ZINC000595370768 356468212 /nfs/dbraw/zinc/46/82/12/356468212.db2.gz JFLYPOQYSKVLTK-ZDUSSCGKSA-N 1 0 323.397 1.103 20 5 DDBDRO CN(CC1C[NH+](C)C1)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000595467166 356503620 /nfs/dbraw/zinc/50/36/20/356503620.db2.gz FMXPRSCLLIALAN-UHFFFAOYSA-N 1 0 306.366 1.340 20 5 DDBDRO COCC[N@H+](C)C[C@H](O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000565224453 304055081 /nfs/dbraw/zinc/05/50/81/304055081.db2.gz JCUAANSZRLUIGI-AWEZNQCLSA-N 1 0 314.407 1.767 20 5 DDBDRO C[C@@H]1CN(Cc2ccc(F)cc2[N+](=O)[O-])C[C@H](C)[N@H+]1CCO ZINC000595515843 356528373 /nfs/dbraw/zinc/52/83/73/356528373.db2.gz CCPCEWXBICRTKN-TXEJJXNPSA-N 1 0 311.357 1.621 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1-c1noc(-c2ccc3c[nH+]cn3c2)n1 ZINC000347107969 283178728 /nfs/dbraw/zinc/17/87/28/283178728.db2.gz GJBMTCYGQUIHFY-UHFFFAOYSA-N 1 0 311.261 1.693 20 5 DDBDRO CC[NH2+]CCNC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000236945453 202086734 /nfs/dbraw/zinc/08/67/34/202086734.db2.gz NVBMCEFNEWQIJP-VIFPVBQESA-N 1 0 315.757 1.741 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H]1C[C@@H](O)C12CCC2 ZINC000595783692 356650458 /nfs/dbraw/zinc/65/04/58/356650458.db2.gz TUGAFEPBEBQCTE-CHWSQXEVSA-N 1 0 319.361 1.735 20 5 DDBDRO C[NH2+]CCNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000237096379 202151356 /nfs/dbraw/zinc/15/13/56/202151356.db2.gz XTANFGLUXRFSLQ-UHFFFAOYSA-N 1 0 302.128 1.307 20 5 DDBDRO [NH3+]CC12CC(C1)CN2Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000595910302 356701597 /nfs/dbraw/zinc/70/15/97/356701597.db2.gz OIZMLAIWPRGADB-UHFFFAOYSA-N 1 0 315.333 1.568 20 5 DDBDRO O=C(Nc1ccc([C@H]2C[NH2+]CCO2)cc1)c1cc([N+](=O)[O-])c[nH]1 ZINC000595967136 356727505 /nfs/dbraw/zinc/72/75/05/356727505.db2.gz XMEGTTKSCJNZFH-CQSZACIVSA-N 1 0 316.317 1.836 20 5 DDBDRO Cc1n[nH]c(C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)c1[N+](=O)[O-] ZINC000595936097 356711981 /nfs/dbraw/zinc/71/19/81/356711981.db2.gz MYZHFGPXUUJNDV-GFCCVEGCSA-N 1 0 321.381 1.478 20 5 DDBDRO CNc1ccc(C(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000595945630 356717355 /nfs/dbraw/zinc/71/73/55/356717355.db2.gz UREBPMXFGNKJEN-PWSUYJOCSA-N 1 0 306.366 1.836 20 5 DDBDRO [NH3+][C@@H]1CCCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2F)C1 ZINC000596016290 356747198 /nfs/dbraw/zinc/74/71/98/356747198.db2.gz PCUFDLBURZLJLH-LLVKDONJSA-N 1 0 324.356 1.498 20 5 DDBDRO COc1cccc([N+](=O)[O-])c1N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000596016814 356747234 /nfs/dbraw/zinc/74/72/34/356747234.db2.gz VLEAPYBKGMHENN-GFCCVEGCSA-N 1 0 306.366 1.087 20 5 DDBDRO CC[NH+]1CCN(CCNc2c(Cl)cncc2[N+](=O)[O-])CC1 ZINC000596073123 356762851 /nfs/dbraw/zinc/76/28/51/356762851.db2.gz GHZNVXZOYNAHGJ-UHFFFAOYSA-N 1 0 313.789 1.115 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NCC[C@H](C)[NH+](C)C ZINC000596177211 356803107 /nfs/dbraw/zinc/80/31/07/356803107.db2.gz BMQRGHDCTNTKIG-NSHDSACASA-N 1 0 324.381 1.743 20 5 DDBDRO C[C@H](Nc1ccc([N+](=O)[O-])c(C(N)=O)c1)C1=CC[N@H+](C)CC1 ZINC000596186504 356806193 /nfs/dbraw/zinc/80/61/93/356806193.db2.gz LILQSWMSGICHFX-JTQLQIEISA-N 1 0 304.350 1.756 20 5 DDBDRO NC(=O)c1cc(N2CCC[C@H]2C[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000596200703 356811967 /nfs/dbraw/zinc/81/19/67/356811967.db2.gz ROKGRPUDXADYES-ZDUSSCGKSA-N 1 0 318.377 1.758 20 5 DDBDRO O=[N+]([O-])c1cnc(N2CCC(CO)([NH2+]CC3CC3)CC2)s1 ZINC000596265968 356838150 /nfs/dbraw/zinc/83/81/50/356838150.db2.gz QJDUUUDEOHHSGE-UHFFFAOYSA-N 1 0 312.395 1.382 20 5 DDBDRO Cn1ccnc1[C@H](N[C@H]1CC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000596648341 356941010 /nfs/dbraw/zinc/94/10/10/356941010.db2.gz QGOWJRUUYICXFR-GXTWGEPZSA-N 1 0 301.350 1.369 20 5 DDBDRO C[C@H](C(=O)N1CC(C[NH+](C)C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000597707783 357294799 /nfs/dbraw/zinc/29/47/99/357294799.db2.gz GJRSDFOEQSSLJA-JTQLQIEISA-N 1 0 309.341 1.857 20 5 DDBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000597853877 357358398 /nfs/dbraw/zinc/35/83/98/357358398.db2.gz CSCIVSGMVPXBNL-NSHDSACASA-N 1 0 309.370 1.028 20 5 DDBDRO CN(CC1C[NH+](C)C1)C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000598165533 357479886 /nfs/dbraw/zinc/47/98/86/357479886.db2.gz YJRLOXBBNNXUNH-UHFFFAOYSA-N 1 0 320.393 1.807 20 5 DDBDRO CCC[N@@H+]1CC[C@@H](NC(=O)CN(C)c2ccccc2[N+](=O)[O-])C1 ZINC000598343407 357545621 /nfs/dbraw/zinc/54/56/21/357545621.db2.gz ULIMWFNLZVIXGB-CYBMUJFWSA-N 1 0 320.393 1.632 20 5 DDBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000178736078 198919930 /nfs/dbraw/zinc/91/99/30/198919930.db2.gz NBXKOORMEVVHJU-GHMZBOCLSA-N 1 0 309.391 1.944 20 5 DDBDRO COC(=O)c1ccnc(N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000598589078 357643136 /nfs/dbraw/zinc/64/31/36/357643136.db2.gz CVUFVKBDWALIFM-NEPJUHHUSA-N 1 0 320.349 1.815 20 5 DDBDRO C[NH2+]C1(CNc2ccc(CC(=O)OC)cc2[N+](=O)[O-])CCC1 ZINC000598632508 357662534 /nfs/dbraw/zinc/66/25/34/357662534.db2.gz FBHDWYIQUTYLEK-UHFFFAOYSA-N 1 0 307.350 1.864 20 5 DDBDRO C[C@H]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H]1CO ZINC000598648475 357668462 /nfs/dbraw/zinc/66/84/62/357668462.db2.gz RYJWXIMRZIMVHH-QWRGUYRKSA-N 1 0 304.350 1.921 20 5 DDBDRO CC1(C)CC[C@@H](CO)[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000598650039 357670417 /nfs/dbraw/zinc/67/04/17/357670417.db2.gz XLOPKFKOYCRIBN-ZDUSSCGKSA-N 1 0 309.366 1.239 20 5 DDBDRO O=C(NC[C@H]1CCC[N@H+](CC2CC2)C1)c1[nH]ncc1[N+](=O)[O-] ZINC000598560484 357633001 /nfs/dbraw/zinc/63/30/01/357633001.db2.gz MVKYGGNRTHDTFD-LLVKDONJSA-N 1 0 307.354 1.170 20 5 DDBDRO Cc1n[nH]c(C(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)c1[N+](=O)[O-] ZINC000598560408 357633135 /nfs/dbraw/zinc/63/31/35/357633135.db2.gz LDDMUVIXRVISLB-LBPRGKRZSA-N 1 0 321.381 1.478 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CCN(C(C)=O)C1 ZINC000598680093 357684084 /nfs/dbraw/zinc/68/40/84/357684084.db2.gz TZOIABXYFGASOU-CMPLNLGQSA-N 1 0 307.350 1.875 20 5 DDBDRO C[C@H](CNC(=O)CN(C)c1ccccc1[N+](=O)[O-])C[NH+](C)C ZINC000292355631 223016544 /nfs/dbraw/zinc/01/65/44/223016544.db2.gz LFNCBTYHIISNFE-GFCCVEGCSA-N 1 0 308.382 1.345 20 5 DDBDRO [NH3+][C@]12CCC[C@@H]1CN(S(=O)(=O)c1ccccc1[N+](=O)[O-])C2 ZINC000598717996 357702252 /nfs/dbraw/zinc/70/22/52/357702252.db2.gz BAGUYQSXIVSKRY-MFKMUULPSA-N 1 0 311.363 1.097 20 5 DDBDRO C[NH+](C)CCNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1 ZINC000598957255 357776140 /nfs/dbraw/zinc/77/61/40/357776140.db2.gz KTIDQUASUVOIHP-UHFFFAOYSA-N 1 0 321.312 1.211 20 5 DDBDRO CC(C)[C@@H]1C[NH2+]CCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000599101538 357815663 /nfs/dbraw/zinc/81/56/63/357815663.db2.gz LMBMLDZLMSREJF-ZDUSSCGKSA-N 1 0 313.379 1.213 20 5 DDBDRO CN1CC[NH+](CC2CN(c3ccc(Cl)cc3[N+](=O)[O-])C2)CC1 ZINC000599105833 357817402 /nfs/dbraw/zinc/81/74/02/357817402.db2.gz HUOPFYXCOFZPGJ-UHFFFAOYSA-N 1 0 324.812 1.932 20 5 DDBDRO Cc1ccc(S(=O)(=O)N[C@H]2CC[C@H](C)[NH2+]C2)cc1[N+](=O)[O-] ZINC000599106160 357817558 /nfs/dbraw/zinc/81/75/58/357817558.db2.gz SVOCSCOQQOOTRA-QWRGUYRKSA-N 1 0 313.379 1.322 20 5 DDBDRO COC(=O)[C@]1(OC)CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000599561705 357973509 /nfs/dbraw/zinc/97/35/09/357973509.db2.gz CEXOHBDOXKIJEC-HNNXBMFYSA-N 1 0 324.333 1.238 20 5 DDBDRO CN(C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)C1CC[NH+](C)CC1 ZINC000179844797 199087060 /nfs/dbraw/zinc/08/70/60/199087060.db2.gz WOKWCPMAOHIKDA-UHFFFAOYSA-N 1 0 321.333 1.490 20 5 DDBDRO COC(=O)C1C[C@@H](C)[NH+](CCn2cc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000599688075 358025935 /nfs/dbraw/zinc/02/59/35/358025935.db2.gz HUBGQTLEDXBMQF-GHMZBOCLSA-N 1 0 310.354 1.453 20 5 DDBDRO Cc1ccc(NC(=O)C(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)cc1[N+](=O)[O-] ZINC000599895460 358076636 /nfs/dbraw/zinc/07/66/36/358076636.db2.gz FYAMGLAIZOJSHB-PWSUYJOCSA-N 1 0 320.349 1.098 20 5 DDBDRO COc1ccc(CNC(=O)N[C@H]2CC[C@H](C)[NH2+]C2)cc1[N+](=O)[O-] ZINC000599909318 358078802 /nfs/dbraw/zinc/07/88/02/358078802.db2.gz XWVDAVNCBSJMGQ-JQWIXIFHSA-N 1 0 322.365 1.543 20 5 DDBDRO C[C@H]1CC[C@@H](NC(=O)NCCc2cccc([N+](=O)[O-])c2)C[NH2+]1 ZINC000599922033 358081319 /nfs/dbraw/zinc/08/13/19/358081319.db2.gz XKTZXBLBUFMAOG-WCQYABFASA-N 1 0 306.366 1.577 20 5 DDBDRO C[C@H]([NH2+]CC(=O)N1C[C@H](C)O[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000180412922 199155308 /nfs/dbraw/zinc/15/53/08/199155308.db2.gz RYCBUHZMEQVJRW-AVGNSLFASA-N 1 0 321.377 1.881 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)n1 ZINC000600470450 358233202 /nfs/dbraw/zinc/23/32/02/358233202.db2.gz OLHOWSIOBMQLBC-LBPRGKRZSA-N 1 0 321.381 1.558 20 5 DDBDRO [NH3+]Cc1cccc2c1N(CCn1cc([N+](=O)[O-])cn1)CCC2 ZINC000600721370 358295302 /nfs/dbraw/zinc/29/53/02/358295302.db2.gz LSAUZOQPYJZPAO-UHFFFAOYSA-N 1 0 301.350 1.703 20 5 DDBDRO C[NH+](C)CCn1cc(C(=O)NCc2ccccc2[N+](=O)[O-])cn1 ZINC000600999959 358376685 /nfs/dbraw/zinc/37/66/85/358376685.db2.gz KGVFNDRWZOIMLB-UHFFFAOYSA-N 1 0 317.349 1.283 20 5 DDBDRO C[NH+](C)C[C@@]1(O)CCCN(c2c(Cl)cncc2[N+](=O)[O-])C1 ZINC000601189036 358439994 /nfs/dbraw/zinc/43/99/94/358439994.db2.gz OLNVXNDWGPYRRN-ZDUSSCGKSA-N 1 0 314.773 1.536 20 5 DDBDRO Cc1c(NC(=O)[C@H](C)[N@@H+]2C[C@@H]3COC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000601974190 358761469 /nfs/dbraw/zinc/76/14/69/358761469.db2.gz QNAFAZDHSIGFFX-RWMBFGLXSA-N 1 0 319.361 1.808 20 5 DDBDRO CN(CC(=O)N[C@H]1CC[NH2+]C12CCC2)c1ccccc1[N+](=O)[O-] ZINC000602529314 359028634 /nfs/dbraw/zinc/02/86/34/359028634.db2.gz FIMCFEXSKSLQLE-AWEZNQCLSA-N 1 0 318.377 1.432 20 5 DDBDRO CO[C@H]1C[NH2+][C@@](C)(C(=O)NCc2cccc([N+](=O)[O-])c2C)C1 ZINC000602499639 359015768 /nfs/dbraw/zinc/01/57/68/359015768.db2.gz RMDSHQKKRRENMY-IUODEOHRSA-N 1 0 307.350 1.286 20 5 DDBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@H]2CCCCS2(=O)=O)cc1 ZINC000602603553 359066946 /nfs/dbraw/zinc/06/69/46/359066946.db2.gz CPJNFJOZJOVFBZ-CQSZACIVSA-N 1 0 312.391 1.694 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3CCCC[C@H]3O)CC2)cn1 ZINC000602620537 359078699 /nfs/dbraw/zinc/07/86/99/359078699.db2.gz LMYOFRXIUDOZDE-HUUCEWRRSA-N 1 0 320.393 1.852 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@@H](O)C3CC3)CC2)cn1 ZINC000602655182 359103740 /nfs/dbraw/zinc/10/37/40/359103740.db2.gz FIADYGYGIFATAX-CQSZACIVSA-N 1 0 306.366 1.319 20 5 DDBDRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1CCc1ccc([N+](=O)[O-])cc1 ZINC000602696283 359132057 /nfs/dbraw/zinc/13/20/57/359132057.db2.gz KUWLCXOCSFBDJG-ZDUSSCGKSA-N 1 0 320.393 1.189 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(CC(=O)N(C)C)CC1 ZINC000602809142 359205657 /nfs/dbraw/zinc/20/56/57/359205657.db2.gz ZCPIIWGYMHJXKY-UHFFFAOYSA-N 1 0 323.397 1.290 20 5 DDBDRO O=c1cc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc[nH]1 ZINC000602816882 359211738 /nfs/dbraw/zinc/21/17/38/359211738.db2.gz DSRBTWQODQTFJI-UHFFFAOYSA-N 1 0 303.322 1.729 20 5 DDBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H](O)C[C@](C)(O)C1CC1 ZINC000602821807 359215828 /nfs/dbraw/zinc/21/58/28/359215828.db2.gz ACWYRPRIPKJFLL-SJORKVTESA-N 1 0 322.405 1.981 20 5 DDBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H](O)C[C@](C)(O)C1CC1 ZINC000602821806 359215904 /nfs/dbraw/zinc/21/59/04/359215904.db2.gz ACWYRPRIPKJFLL-IRXDYDNUSA-N 1 0 322.405 1.981 20 5 DDBDRO CCOC(=O)CC1([NH2+]CCn2c(C)ncc2[N+](=O)[O-])CCCC1 ZINC000602822557 359216978 /nfs/dbraw/zinc/21/69/78/359216978.db2.gz RZKCPGXIMMJIID-UHFFFAOYSA-N 1 0 324.381 1.955 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000602904031 359284228 /nfs/dbraw/zinc/28/42/28/359284228.db2.gz HYNBAWGFFQFLAD-IYBDPMFKSA-N 1 0 320.393 1.992 20 5 DDBDRO CCC1([NH+](C)C)CCN(C(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000602923996 359295921 /nfs/dbraw/zinc/29/59/21/359295921.db2.gz ZKYZQCBFESPHDN-UHFFFAOYSA-N 1 0 321.381 1.750 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CCN1CCOc2ccc(O)cc2C1 ZINC000602901315 359282027 /nfs/dbraw/zinc/28/20/27/359282027.db2.gz AWYCCOJXBFBFON-UHFFFAOYSA-N 1 0 318.333 1.700 20 5 DDBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2c(C)cncc2[N+](=O)[O-])C1 ZINC000602953481 359319654 /nfs/dbraw/zinc/31/96/54/359319654.db2.gz AAARNFYUVUCFQK-GFCCVEGCSA-N 1 0 321.381 1.526 20 5 DDBDRO COc1cc(C[N@H+]2C[C@H](OC)C[C@]2(C)CO)ccc1[N+](=O)[O-] ZINC000602964605 359327756 /nfs/dbraw/zinc/32/77/56/359327756.db2.gz RWDUEEYRCIIWSC-IUODEOHRSA-N 1 0 310.350 1.575 20 5 DDBDRO C[C@H]([NH2+][C@@H]1C[C@@H](O)C1(C)C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000565666777 304083305 /nfs/dbraw/zinc/08/33/05/304083305.db2.gz STZBYVURNRLREI-ZWKOPEQDSA-N 1 0 307.350 1.671 20 5 DDBDRO CC[C@@H]([NH2+]CCS(=O)(=O)NC)c1cccc([N+](=O)[O-])c1 ZINC000187193292 200075500 /nfs/dbraw/zinc/07/55/00/200075500.db2.gz NLAVIAAWJMOHSE-GFCCVEGCSA-N 1 0 301.368 1.185 20 5 DDBDRO C[C@H](C[NH3+])CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000237587576 202292734 /nfs/dbraw/zinc/29/27/34/202292734.db2.gz ZECOQYWXIJTQOH-SNVBAGLBSA-N 1 0 303.322 1.105 20 5 DDBDRO Cc1c(C(=O)N2CC[NH2+][C@@H](C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000237640114 202314268 /nfs/dbraw/zinc/31/42/68/202314268.db2.gz XSQUVBWUHNNXST-QMMMGPOBSA-N 1 0 308.294 1.245 20 5 DDBDRO C[NH+]1CCC(C)(CNC(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000276194603 212722833 /nfs/dbraw/zinc/72/28/33/212722833.db2.gz DDOHLUAZEAPRLK-UHFFFAOYSA-N 1 0 306.366 1.639 20 5 DDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC[C@@H]1CCC[NH2+]C1 ZINC000237812726 202361658 /nfs/dbraw/zinc/36/16/58/202361658.db2.gz STXVVPVDWHKNFE-SNVBAGLBSA-N 1 0 311.769 1.907 20 5 DDBDRO Cc1nn(CCC(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)c(C)c1[N+](=O)[O-] ZINC000237918278 202389367 /nfs/dbraw/zinc/38/93/67/202389367.db2.gz YSPMZPRLTNUPET-FUNVUKJBSA-N 1 0 321.381 1.197 20 5 DDBDRO Cc1nc2n(n1)C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)CC2 ZINC000609599828 360331504 /nfs/dbraw/zinc/33/15/04/360331504.db2.gz JWYPMJWJPUESGT-CYBMUJFWSA-N 1 0 301.350 1.642 20 5 DDBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000609833288 360354226 /nfs/dbraw/zinc/35/42/26/360354226.db2.gz GCIHQCOVRXTMDB-ZDUSSCGKSA-N 1 0 321.377 1.964 20 5 DDBDRO CN(c1ccc([N+](=O)[O-])nc1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000609802291 360352533 /nfs/dbraw/zinc/35/25/33/360352533.db2.gz OOVLWEGXVVHWIF-OAHLLOKOSA-N 1 0 319.409 1.595 20 5 DDBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])cn2C)[C@H](C)C1 ZINC000610177830 360388934 /nfs/dbraw/zinc/38/89/34/360388934.db2.gz HUXVWSPPVVOONH-DGCLKSJQSA-N 1 0 308.382 1.736 20 5 DDBDRO O=[N+]([O-])c1cccnc1N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000610489119 360449629 /nfs/dbraw/zinc/44/96/29/360449629.db2.gz FBZLIWUEYBVLBV-CYBMUJFWSA-N 1 0 306.366 1.681 20 5 DDBDRO CC[N@@H+]1CCN(CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C[C@H]1C ZINC000611091891 360621319 /nfs/dbraw/zinc/62/13/19/360621319.db2.gz BUTZGNGYRDEOGJ-CYBMUJFWSA-N 1 0 320.393 1.868 20 5 DDBDRO COCC[N@@H+]1CC[C@@H](Nc2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC000611704746 360799346 /nfs/dbraw/zinc/79/93/46/360799346.db2.gz DLFNOUJRQIYARG-LLVKDONJSA-N 1 0 317.349 1.671 20 5 DDBDRO [NH3+]CCCCNS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000193315380 201028084 /nfs/dbraw/zinc/02/80/84/201028084.db2.gz DPKYDPZWFHBYIZ-UHFFFAOYSA-N 1 0 324.362 1.160 20 5 DDBDRO CC(C)[C@@H](CNc1cc(N)ccc1[N+](=O)[O-])[NH+]1CCN(C)CC1 ZINC000193381457 201042735 /nfs/dbraw/zinc/04/27/35/201042735.db2.gz UBVAEJYFPLNVHO-MRXNPFEDSA-N 1 0 321.425 1.861 20 5 DDBDRO CCOc1ccc(C(=O)N[C@@H]2CCC[NH2+][C@@H]2C)cc1[N+](=O)[O-] ZINC000193656264 201095513 /nfs/dbraw/zinc/09/55/13/201095513.db2.gz IUPCJNDSWOMHBA-ZYHUDNBSSA-N 1 0 307.350 1.864 20 5 DDBDRO Cc1nn(C)c(C(=O)NC[C@H](C)C[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000194206132 201197277 /nfs/dbraw/zinc/19/72/77/201197277.db2.gz VYKJNRHSHXGXQS-JTQLQIEISA-N 1 0 309.370 1.098 20 5 DDBDRO Cc1cc([N+](=O)[O-])cnc1NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000281543055 216373130 /nfs/dbraw/zinc/37/31/30/216373130.db2.gz BHTQKHUDNVKVGM-UHFFFAOYSA-N 1 0 307.398 1.736 20 5 DDBDRO [NH3+][C@@H](CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CC1 ZINC000194735189 201280143 /nfs/dbraw/zinc/28/01/43/201280143.db2.gz XDDWEJKQPLHUGX-VIFPVBQESA-N 1 0 319.770 1.264 20 5 DDBDRO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195241488 201364709 /nfs/dbraw/zinc/36/47/09/201364709.db2.gz BHIMHSURJTWSEK-TXEJJXNPSA-N 1 0 316.361 1.461 20 5 DDBDRO CO[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000275183193 212180157 /nfs/dbraw/zinc/18/01/57/212180157.db2.gz DTWXXFHNZAQYET-NUEKZKHPSA-N 1 0 324.377 1.882 20 5 DDBDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000275177013 212174112 /nfs/dbraw/zinc/17/41/12/212174112.db2.gz VNZRDGDIWGEZQL-BXUZGUMPSA-N 1 0 305.378 1.987 20 5 DDBDRO O=C(c1cc(F)ccc1[N+](=O)[O-])N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261817274 203124621 /nfs/dbraw/zinc/12/46/21/203124621.db2.gz NTTUSEIDHFTETG-PHIMTYICSA-N 1 0 307.325 1.806 20 5 DDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000261986925 203168341 /nfs/dbraw/zinc/16/83/41/203168341.db2.gz SHJOWPZTYDAUGO-CYBMUJFWSA-N 1 0 303.362 1.943 20 5 DDBDRO Cc1sc(C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)cc1[N+](=O)[O-] ZINC000262144542 203211011 /nfs/dbraw/zinc/21/10/11/203211011.db2.gz YFUQLVNAOACJSC-LLVKDONJSA-N 1 0 324.406 1.084 20 5 DDBDRO CN(CC(C)(C)C[NH3+])C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000262590548 203342933 /nfs/dbraw/zinc/34/29/33/203342933.db2.gz SDZUHCHTRSCIIZ-UHFFFAOYSA-N 1 0 308.382 1.474 20 5 DDBDRO O=C(CN1C[C@@H]2C[NH2+]C[C@H]2C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000359307203 299406819 /nfs/dbraw/zinc/40/68/19/299406819.db2.gz NAQYAWDEGXFKDZ-UWVGGRQHSA-N 1 0 324.768 1.338 20 5 DDBDRO O=C(N[C@H]1C[NH2+]CCC1(F)F)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000449658205 284245413 /nfs/dbraw/zinc/24/54/13/284245413.db2.gz SDFZGYOFPAVGLR-JTQLQIEISA-N 1 0 319.695 1.975 20 5 DDBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)C(=O)NCCF ZINC000282750743 217225086 /nfs/dbraw/zinc/22/50/86/217225086.db2.gz NTERRHPYADZKCL-VXGBXAGGSA-N 1 0 311.357 1.980 20 5 DDBDRO CC[C@H]1CN(c2ncc([N+](=O)[O-])cc2C)CC[N@@H+]1C[C@H](C)O ZINC000266309738 205255914 /nfs/dbraw/zinc/25/59/14/205255914.db2.gz DIKFHRDHFWDIDC-STQMWFEESA-N 1 0 308.382 1.580 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(N[C@@H](C)CN2CC[NH+](C)CC2)c1 ZINC000266324247 205266570 /nfs/dbraw/zinc/26/65/70/205266570.db2.gz FYQZRYZCMRWFNG-LBPRGKRZSA-N 1 0 308.382 1.651 20 5 DDBDRO C[C@@H](C[NH+](C)C)NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000288512300 220190028 /nfs/dbraw/zinc/19/00/28/220190028.db2.gz OWXWVXHOZJPDBO-VIFPVBQESA-N 1 0 320.353 1.220 20 5 DDBDRO CN(CC(=O)N1CCC[C@@H]([NH+](C)C)C1)c1ccccc1[N+](=O)[O-] ZINC000173015391 248327665 /nfs/dbraw/zinc/32/76/65/248327665.db2.gz OPOJNDJWCWFZAI-CYBMUJFWSA-N 1 0 320.393 1.584 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H](C)[C@@H]1CCOC1 ZINC000337220612 249395797 /nfs/dbraw/zinc/39/57/97/249395797.db2.gz LTVLRFWWEADULH-VXGBXAGGSA-N 1 0 307.350 1.856 20 5 DDBDRO CC(C)(C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)n1cc([N+](=O)[O-])cn1 ZINC000338670295 250084047 /nfs/dbraw/zinc/08/40/47/250084047.db2.gz BQPFSPNPUCROKD-NEPJUHHUSA-N 1 0 321.381 1.269 20 5 DDBDRO COc1cc(C(=O)N2CCC[C@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000106363870 194200912 /nfs/dbraw/zinc/20/09/12/194200912.db2.gz HEVUREQXOGBZHL-LBPRGKRZSA-N 1 0 307.350 1.770 20 5 DDBDRO CCCc1n[nH]c(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000109621883 194277839 /nfs/dbraw/zinc/27/78/39/194277839.db2.gz KGKLFZGOYFPNKQ-NSHDSACASA-N 1 0 321.381 1.581 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000110797360 194358978 /nfs/dbraw/zinc/35/89/78/194358978.db2.gz KWKAAMVBPPUWPG-NSHDSACASA-N 1 0 313.379 1.181 20 5 DDBDRO C[C@H](NC(=O)CCOc1ccccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000269197608 207317105 /nfs/dbraw/zinc/31/71/05/207317105.db2.gz LWHAMQOHHZKNGN-QWHCGFSZSA-N 1 0 321.377 1.868 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N(C)CC(C)(C)C[NH3+] ZINC000269202677 207322143 /nfs/dbraw/zinc/32/21/43/207322143.db2.gz XQUZGEZODPWLMB-UHFFFAOYSA-N 1 0 308.382 1.718 20 5 DDBDRO CO[C@@H]1C[C@H]([N@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C12CCC2 ZINC000451836355 532954257 /nfs/dbraw/zinc/95/42/57/532954257.db2.gz BMXPNAAKLHINKJ-HZSPNIEDSA-N 1 0 324.381 1.042 20 5 DDBDRO COCC[N@@H+]1CC[C@@H](NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000491559809 532976126 /nfs/dbraw/zinc/97/61/26/532976126.db2.gz BJYCJJTYMZGVIA-HJHHMULASA-N 1 0 319.361 1.445 20 5 DDBDRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000417232474 532998967 /nfs/dbraw/zinc/99/89/67/532998967.db2.gz MJMJGEWGBBINAM-OCCSQVGLSA-N 1 0 320.393 1.906 20 5 DDBDRO O=[N+]([O-])c1cc(Br)cnc1N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000090322806 285083731 /nfs/dbraw/zinc/08/37/31/285083731.db2.gz ROMUOEWJBPVXIU-OCAPTIKFSA-N 1 0 313.155 1.408 20 5 DDBDRO O=[N+]([O-])c1cccc(F)c1CN1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000352487481 285085643 /nfs/dbraw/zinc/08/56/43/285085643.db2.gz FMMNWFZLHYXULM-GFCCVEGCSA-N 1 0 308.357 1.213 20 5 DDBDRO C[NH2+]CCC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000286341251 218929717 /nfs/dbraw/zinc/92/97/17/218929717.db2.gz ZJKQAGDOYJQDCX-UHFFFAOYSA-N 1 0 306.366 1.639 20 5 DDBDRO COc1cc(C(=O)N2CC[NH2+][C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000158005776 197235080 /nfs/dbraw/zinc/23/50/80/197235080.db2.gz DJKWYBXLXVEFKQ-SECBINFHSA-N 1 0 309.322 1.046 20 5 DDBDRO [NH3+]CCC1CCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 ZINC000568052125 304264666 /nfs/dbraw/zinc/26/46/66/304264666.db2.gz NXNZRLDRDNEDFK-UHFFFAOYSA-N 1 0 320.393 1.908 20 5 DDBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000120549187 195189059 /nfs/dbraw/zinc/18/90/59/195189059.db2.gz NFQPZUUGNMGDEL-JSGCOSHPSA-N 1 0 305.378 1.936 20 5 DDBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000120633266 195204504 /nfs/dbraw/zinc/20/45/04/195204504.db2.gz YJRHJSDDHGTPRD-CQSZACIVSA-N 1 0 306.366 1.531 20 5 DDBDRO COCCCOCC[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000271603977 209051112 /nfs/dbraw/zinc/05/11/12/209051112.db2.gz UFINQDWZAMUVMJ-HNNXBMFYSA-N 1 0 312.366 1.613 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCC(C[NH3+])CC1 ZINC000417183604 533221264 /nfs/dbraw/zinc/22/12/64/533221264.db2.gz PZIROAGUBSXZPP-UHFFFAOYSA-N 1 0 322.365 1.484 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]1C[C@H](C)CC[NH2+]1 ZINC000423062426 533223325 /nfs/dbraw/zinc/22/33/25/533223325.db2.gz NADBCYNSAMDKEY-ZWNOBZJWSA-N 1 0 307.350 1.608 20 5 DDBDRO CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000289925536 221321937 /nfs/dbraw/zinc/32/19/37/221321937.db2.gz KQRORCKXMZIGGW-NEPJUHHUSA-N 1 0 307.350 1.608 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000414662164 533225713 /nfs/dbraw/zinc/22/57/13/533225713.db2.gz YXQOWFLMDDSZPP-JQWIXIFHSA-N 1 0 320.349 1.819 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@](C)(CO)C(C)C ZINC000352914598 285384542 /nfs/dbraw/zinc/38/45/42/285384542.db2.gz PRGYYLWGBRRHER-OAHLLOKOSA-N 1 0 309.366 1.838 20 5 DDBDRO Cc1n[nH]c(C(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)c1[N+](=O)[O-] ZINC000424043572 533659856 /nfs/dbraw/zinc/65/98/56/533659856.db2.gz QYWCXPAUWFOBMK-CYBMUJFWSA-N 1 0 321.381 1.477 20 5 DDBDRO Cc1n[nH]c(C(=O)NC2CC[NH+](CC3CC3)CC2)c1[N+](=O)[O-] ZINC000299549166 533663226 /nfs/dbraw/zinc/66/32/26/533663226.db2.gz QMSYAQLQQWIBPR-UHFFFAOYSA-N 1 0 307.354 1.231 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[C@H]([NH3+])[C@@H]2C)c1C ZINC000261787121 291994463 /nfs/dbraw/zinc/99/44/63/291994463.db2.gz XJZMYNPUJQHXBC-JQWIXIFHSA-N 1 0 313.379 1.322 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](C[NH3+])CC(C)C ZINC000109705706 291997373 /nfs/dbraw/zinc/99/73/73/291997373.db2.gz BLHQMJKUUADTEA-LLVKDONJSA-N 1 0 315.395 1.555 20 5 DDBDRO COC(=O)COc1ccc(C[NH2+]CC(C)(C)O)cc1[N+](=O)[O-] ZINC000353742292 285902443 /nfs/dbraw/zinc/90/24/43/285902443.db2.gz WAGQPZMCOVYCSC-UHFFFAOYSA-N 1 0 312.322 1.007 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CCC1CC(O)C1 ZINC000569363052 304351214 /nfs/dbraw/zinc/35/12/14/304351214.db2.gz YDBMNCUXWCEWNP-WXRRBKDZSA-N 1 0 310.350 1.085 20 5 DDBDRO CCCc1n[nH]c(C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC000361094835 299800959 /nfs/dbraw/zinc/80/09/59/299800959.db2.gz HPAOUIKEASJHPK-CMPLNLGQSA-N 1 0 321.381 1.388 20 5 DDBDRO CCc1cnccc1[C@@H](C)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000361133264 299805339 /nfs/dbraw/zinc/80/53/39/299805339.db2.gz VYKSQWKOBJGQFY-RISCZKNCSA-N 1 0 319.365 1.460 20 5 DDBDRO COc1ccc(C[NH2+]Cc2cnc(N(C)C)n2C)cc1[N+](=O)[O-] ZINC000414300683 533677352 /nfs/dbraw/zinc/67/73/52/533677352.db2.gz LAZFWSJRHHPOFO-UHFFFAOYSA-N 1 0 319.365 1.693 20 5 DDBDRO CC1(C)CC(NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC(C)(C)[NH2+]1 ZINC000011422845 406827619 /nfs/dbraw/zinc/82/76/19/406827619.db2.gz OKBGUJNDELDYQN-UHFFFAOYSA-N 1 0 322.365 1.734 20 5 DDBDRO CN(C)C(=O)C1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000071951595 406869380 /nfs/dbraw/zinc/86/93/80/406869380.db2.gz KXYBMRCHSVIONS-UHFFFAOYSA-N 1 0 305.378 1.938 20 5 DDBDRO CC(C)NC(=O)C[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000026259563 406903844 /nfs/dbraw/zinc/90/38/44/406903844.db2.gz LONGRPNNBAHLEU-UHFFFAOYSA-N 1 0 322.365 1.380 20 5 DDBDRO Cc1ccc(S(=O)(=O)N2CCC[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000044528910 407025175 /nfs/dbraw/zinc/02/51/75/407025175.db2.gz RXVKVDMSIFRGPV-NSHDSACASA-N 1 0 313.379 1.263 20 5 DDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC1CC[NH2+]CC1 ZINC000044509114 407025416 /nfs/dbraw/zinc/02/54/16/407025416.db2.gz ADHLJXGDQJIHDA-UHFFFAOYSA-N 1 0 313.379 1.181 20 5 DDBDRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000078544621 407033308 /nfs/dbraw/zinc/03/33/08/407033308.db2.gz SBQSKRZFMGPMBG-LBPRGKRZSA-N 1 0 321.381 1.352 20 5 DDBDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000078644206 407038706 /nfs/dbraw/zinc/03/87/06/407038706.db2.gz YCOCNYWGLCMUSA-AWEZNQCLSA-N 1 0 322.365 1.827 20 5 DDBDRO CCC[NH2+]CCNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000054266463 407181453 /nfs/dbraw/zinc/18/14/53/407181453.db2.gz CHRFALFZKQEJMK-UHFFFAOYSA-N 1 0 301.368 1.014 20 5 DDBDRO CC[N@@H+]1CC[C@@H](CNC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000124708275 407367123 /nfs/dbraw/zinc/36/71/23/407367123.db2.gz IJIFRITWZGZUGH-AWEZNQCLSA-N 1 0 305.378 1.985 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+](Cc2ccncc2)C2CC2)c1 ZINC000124860832 407371876 /nfs/dbraw/zinc/37/18/76/407371876.db2.gz BAPWVLVMJVBGOC-HNNXBMFYSA-N 1 0 317.349 1.212 20 5 DDBDRO Cc1c(CC(=O)N(C)[C@H]2CCC[N@H+](C)C2)cccc1[N+](=O)[O-] ZINC000125428075 407388183 /nfs/dbraw/zinc/38/81/83/407388183.db2.gz MFGOUYOCESJODV-AWEZNQCLSA-N 1 0 305.378 1.998 20 5 DDBDRO COc1ccc(C[NH2+][C@@H](C)CC[S@](C)=O)cc1[N+](=O)[O-] ZINC000125569760 407392336 /nfs/dbraw/zinc/39/23/36/407392336.db2.gz BBMJNFKHTOZSKP-WVDJIFEKSA-N 1 0 300.380 1.850 20 5 DDBDRO CC[C@H]([NH3+])CNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000111304114 407406569 /nfs/dbraw/zinc/40/65/69/407406569.db2.gz FIEHOVSTMHHCPZ-QMMMGPOBSA-N 1 0 307.759 1.264 20 5 DDBDRO CC[C@@H](C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)[NH+](C)C ZINC000126425890 407413326 /nfs/dbraw/zinc/41/33/26/407413326.db2.gz QZIYNTZKOJKVFV-HNNXBMFYSA-N 1 0 320.393 1.584 20 5 DDBDRO CCc1n[nH]c(C(=O)N(C)[C@H]2CC[N@@H+](CC)C[C@@H]2C)c1[N+](=O)[O-] ZINC000185725450 407488869 /nfs/dbraw/zinc/48/88/69/407488869.db2.gz QZVOVBDFJQJIKV-JQWIXIFHSA-N 1 0 323.397 1.683 20 5 DDBDRO [NH3+]C[C@H]1CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000178568079 407495771 /nfs/dbraw/zinc/49/57/71/407495771.db2.gz UREYUOFWGBCOEB-GFCCVEGCSA-N 1 0 306.366 1.594 20 5 DDBDRO Cc1ccc(C[NH+]2CCC(N3CCNC3=O)CC2)cc1[N+](=O)[O-] ZINC000127620945 407445145 /nfs/dbraw/zinc/44/51/45/407445145.db2.gz BMLMWIUDSRQYOI-UHFFFAOYSA-N 1 0 318.377 1.893 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)CN2CCC[N@@H+](C3CC3)CC2)c1 ZINC000178858390 407630055 /nfs/dbraw/zinc/63/00/55/407630055.db2.gz NVWYJMMKYISOBF-MRXNPFEDSA-N 1 0 305.378 1.798 20 5 DDBDRO CO[C@@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)[C@@H](C[NH3+])C1 ZINC000261827867 407633020 /nfs/dbraw/zinc/63/30/20/407633020.db2.gz BCNZGRUPDZFWSU-ZIAGYGMSSA-N 1 0 307.350 1.102 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+](CCO)Cc2cccnc2)c1 ZINC000178867024 407633638 /nfs/dbraw/zinc/63/36/38/407633638.db2.gz ROLYUIYRMNQTIA-MRXNPFEDSA-N 1 0 317.345 1.518 20 5 DDBDRO C[C@@H]([NH3+])[C@H]1CCCCN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000261839190 407634095 /nfs/dbraw/zinc/63/40/95/407634095.db2.gz CGMAMNYQJUCCQN-DGCLKSJQSA-N 1 0 306.366 1.735 20 5 DDBDRO C[NH+]1CCC(CCNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC1 ZINC000171269279 407646688 /nfs/dbraw/zinc/64/66/88/407646688.db2.gz XRNGKQRRRIRADQ-UHFFFAOYSA-N 1 0 308.338 1.157 20 5 DDBDRO COCC[N@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000152733530 407677660 /nfs/dbraw/zinc/67/76/60/407677660.db2.gz KBNXRZDRANGQCV-UHFFFAOYSA-N 1 0 315.757 1.556 20 5 DDBDRO C[NH2+]C[C@@H]1CCN(C(=O)c2cc(SC)ccc2[N+](=O)[O-])C1 ZINC000178996095 407684886 /nfs/dbraw/zinc/68/48/86/407684886.db2.gz WTDFQHMTCPHERK-JTQLQIEISA-N 1 0 309.391 1.998 20 5 DDBDRO COc1ccc(C(=O)N(C[C@@H]2CCC[NH2+]2)C2CC2)cc1[N+](=O)[O-] ZINC000186507386 407684922 /nfs/dbraw/zinc/68/49/22/407684922.db2.gz QLXBPHDEUWRAAU-LBPRGKRZSA-N 1 0 319.361 1.960 20 5 DDBDRO C[NH2+]C[C@@H]1CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000178998772 407686357 /nfs/dbraw/zinc/68/63/57/407686357.db2.gz HVCZPWFVBUWKEQ-LBPRGKRZSA-N 1 0 307.350 1.432 20 5 DDBDRO CCCc1n[nH]c(C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000115716899 407701810 /nfs/dbraw/zinc/70/18/10/407701810.db2.gz ZVPFZAPJUWFYPQ-NSHDSACASA-N 1 0 323.397 1.684 20 5 DDBDRO CN(C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)[C@@H]1CC[NH2+]C1 ZINC000179066253 407709371 /nfs/dbraw/zinc/70/93/71/407709371.db2.gz ZHTCFCASUSEEMC-CYBMUJFWSA-N 1 0 318.377 1.629 20 5 DDBDRO CN(C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1CC[NH2+]C1 ZINC000179091486 407719392 /nfs/dbraw/zinc/71/93/92/407719392.db2.gz KFFPFAOJMZYDLK-CYBMUJFWSA-N 1 0 315.333 1.214 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[C@H](OC)C[C@H]1C[NH3+] ZINC000262038353 407720732 /nfs/dbraw/zinc/72/07/32/407720732.db2.gz BOWAUCFDNVXDHN-KBPBESRZSA-N 1 0 309.366 1.542 20 5 DDBDRO CC(C)COC[C@H](O)CN1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000132587877 407791393 /nfs/dbraw/zinc/79/13/93/407791393.db2.gz CVLDVYXBMWXZNX-MRXNPFEDSA-N 1 0 308.378 1.986 20 5 DDBDRO COc1cc(C(=O)NC[C@H]2CCCC[NH2+]2)c([N+](=O)[O-])cc1OC ZINC000237263123 407809967 /nfs/dbraw/zinc/80/99/67/407809967.db2.gz FMYOWCZTYYPNSW-SNVBAGLBSA-N 1 0 323.349 1.484 20 5 DDBDRO Cc1nn(CCC(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])c(C)c1[N+](=O)[O-] ZINC000237693012 407834990 /nfs/dbraw/zinc/83/49/90/407834990.db2.gz LABLUZMZRUNRNN-GWCFXTLKSA-N 1 0 323.397 1.384 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@@H]3CCOC3)CC2)c(F)c1 ZINC000267329886 407837439 /nfs/dbraw/zinc/83/74/39/407837439.db2.gz BNRPPJNCUOBVEX-LBPRGKRZSA-N 1 0 309.341 1.892 20 5 DDBDRO C[C@@H]([NH2+]CCC(=O)N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000173337502 407875017 /nfs/dbraw/zinc/87/50/17/407875017.db2.gz ZMKHWHNRYQJGDO-GFCCVEGCSA-N 1 0 307.350 1.494 20 5 DDBDRO CCOC(=O)CC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173465507 407880826 /nfs/dbraw/zinc/88/08/26/407880826.db2.gz LCMKLGYNMXOTNJ-NSHDSACASA-N 1 0 308.338 1.429 20 5 DDBDRO C[NH2+][C@H]1CCCN(C(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000133437128 407845453 /nfs/dbraw/zinc/84/54/53/407845453.db2.gz VIRSKPDZLAEYNC-IYNGYCSASA-N 1 0 307.325 1.958 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000272428630 407914667 /nfs/dbraw/zinc/91/46/67/407914667.db2.gz HJCOHNICAFFRFT-STQMWFEESA-N 1 0 321.381 1.042 20 5 DDBDRO O=C1NCCCN1C1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000135420807 408015333 /nfs/dbraw/zinc/01/53/33/408015333.db2.gz QXQSDGBZRDDXQO-UHFFFAOYSA-N 1 0 318.377 1.975 20 5 DDBDRO O=[N+]([O-])c1cc(CN2CC[NH+](C3CCOCC3)CC2)cs1 ZINC000175466401 408136561 /nfs/dbraw/zinc/13/65/61/408136561.db2.gz PNUNUFGTQMVBIL-UHFFFAOYSA-N 1 0 311.407 1.953 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCCC[NH+](C)C)c1 ZINC000123607543 161801600 /nfs/dbraw/zinc/80/16/00/161801600.db2.gz QWIPTPVNQDNOQL-UHFFFAOYSA-N 1 0 309.366 1.740 20 5 DDBDRO CC(C)[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000155626267 408190386 /nfs/dbraw/zinc/19/03/86/408190386.db2.gz GHFOWOFHYQSSDX-UHFFFAOYSA-N 1 0 319.358 1.352 20 5 DDBDRO Cc1c(C[NH+]2CCC3(CC2)NC(=O)NC3=O)cccc1[N+](=O)[O-] ZINC000263949162 408324429 /nfs/dbraw/zinc/32/44/29/408324429.db2.gz CXGLCNJMLFJTKF-UHFFFAOYSA-N 1 0 318.333 1.077 20 5 DDBDRO Cc1c(NC(=O)[C@@H](C)N2CC[C@@H](CO)C2)cccc1[N+](=O)[O-] ZINC000269488375 408327032 /nfs/dbraw/zinc/32/70/32/408327032.db2.gz YCYXKXZYWNMJAA-VXGBXAGGSA-N 1 0 307.350 1.544 20 5 DDBDRO CC[NH2+]CCNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000151327912 408296366 /nfs/dbraw/zinc/29/63/66/408296366.db2.gz CGVAJPKASUTJJP-UHFFFAOYSA-N 1 0 303.322 1.120 20 5 DDBDRO Cc1n[nH]c(C(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)c1[N+](=O)[O-] ZINC000269506948 408333804 /nfs/dbraw/zinc/33/38/04/408333804.db2.gz GHGOPHHIADWGQF-GFCCVEGCSA-N 1 0 323.397 1.724 20 5 DDBDRO C[C@H](O)[C@H]1CC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000183182441 408344620 /nfs/dbraw/zinc/34/46/20/408344620.db2.gz UVZJBTZZAIWLEJ-JQWIXIFHSA-N 1 0 318.333 1.848 20 5 DDBDRO C[C@H](CNC(=O)c1c([N+](=O)[O-])cnn1C)[NH+]1CCC(C)CC1 ZINC000164488584 162151476 /nfs/dbraw/zinc/15/14/76/162151476.db2.gz STYMYNDTRSGTIH-LLVKDONJSA-N 1 0 309.370 1.179 20 5 DDBDRO Cc1n[nH]c(C(=O)NC[C@H](C2CCCCC2)[NH+](C)C)c1[N+](=O)[O-] ZINC000264118492 408372033 /nfs/dbraw/zinc/37/20/33/408372033.db2.gz CDPIJAFFOZRXGV-GFCCVEGCSA-N 1 0 323.397 1.867 20 5 DDBDRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000183560057 408440570 /nfs/dbraw/zinc/44/05/70/408440570.db2.gz ZSKUBMASTYDLDP-ZDUSSCGKSA-N 1 0 307.354 1.794 20 5 DDBDRO O=C(NCCCCNc1ccccn1)c1ccc([N+](=O)[O-])[nH]1 ZINC000264549073 408531951 /nfs/dbraw/zinc/53/19/51/408531951.db2.gz UBFGZJLBGMDSRI-UHFFFAOYSA-N 1 0 303.322 1.940 20 5 DDBDRO C[C@H]1C[C@H](NC(=O)c2cccc([N+](=O)[O-])c2N)C[N@@H+]1C1CC1 ZINC000177121092 408525748 /nfs/dbraw/zinc/52/57/48/408525748.db2.gz UMKKDXRQWQXLLT-UWVGGRQHSA-N 1 0 304.350 1.532 20 5 DDBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000176910057 408472263 /nfs/dbraw/zinc/47/22/63/408472263.db2.gz AUQPEPNPSGNEMI-OAHLLOKOSA-N 1 0 323.393 1.990 20 5 DDBDRO Cc1ccnc(NC2CCN(CC[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000265238529 408588276 /nfs/dbraw/zinc/58/82/76/408588276.db2.gz OIFVPBYERNFEGU-UHFFFAOYSA-N 1 0 307.398 1.736 20 5 DDBDRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)/C=C/c3cccc([N+](=O)[O-])c3)C[C@H]12 ZINC000248595056 408591451 /nfs/dbraw/zinc/59/14/51/408591451.db2.gz HZHRQWYMGSSIGD-JIKBEZLDSA-N 1 0 301.346 1.804 20 5 DDBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@H](O)C[NH+]1CCCCC1 ZINC000192496358 408598441 /nfs/dbraw/zinc/59/84/41/408598441.db2.gz DEHHHELQBPFPIG-LBPRGKRZSA-N 1 0 311.386 1.378 20 5 DDBDRO Cc1cc(C)c(S(=O)(=O)N(C)[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000193269275 408709921 /nfs/dbraw/zinc/70/99/21/408709921.db2.gz CRJGLLRNPATXOU-NSHDSACASA-N 1 0 313.379 1.194 20 5 DDBDRO Cc1c(CN2CC[N@@H+](C[C@H](C)O)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000249492438 408731645 /nfs/dbraw/zinc/73/16/45/408731645.db2.gz FNXHOTOTDUYEIS-OLZOCXBDSA-N 1 0 307.394 1.790 20 5 DDBDRO O=[N+]([O-])c1ccc(NC2CC[NH+](C[C@H]3CCOC3)CC2)nc1 ZINC000265552870 408690755 /nfs/dbraw/zinc/69/07/55/408690755.db2.gz ZLCZLDCDODWIFM-GFCCVEGCSA-N 1 0 306.366 1.903 20 5 DDBDRO Cc1c(NC(=O)CC[N@@H+]2CC[C@H](O)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000249582260 408745442 /nfs/dbraw/zinc/74/54/42/408745442.db2.gz ROXWVCJZHQSACB-NHYWBVRUSA-N 1 0 321.377 1.935 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000163048063 408754027 /nfs/dbraw/zinc/75/40/27/408754027.db2.gz MBNBVBQFFYKIKX-UHFFFAOYSA-N 1 0 309.370 1.321 20 5 DDBDRO Cc1cc(C[NH+](C)C)cc(NC(=O)c2cc([N+](=O)[O-])n[nH]2)c1 ZINC000285631590 408832631 /nfs/dbraw/zinc/83/26/31/408832631.db2.gz AUNYAHKSMZZUIM-UHFFFAOYSA-N 1 0 303.322 1.940 20 5 DDBDRO C[C@@H]1C[C@@H](Nc2ccc(C(N)=O)cc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000290840041 408842846 /nfs/dbraw/zinc/84/28/46/408842846.db2.gz VQPLXSDNOHAHHA-MWLCHTKSSA-N 1 0 304.350 1.731 20 5 DDBDRO Cc1c(NC(=O)[C@@H](C)[N@H+](C)CCCCO)cccc1[N+](=O)[O-] ZINC000276460232 408862788 /nfs/dbraw/zinc/86/27/88/408862788.db2.gz XINHBMSGMLQHOB-GFCCVEGCSA-N 1 0 309.366 1.935 20 5 DDBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC(=O)NCC(F)F ZINC000280971101 408867179 /nfs/dbraw/zinc/86/71/79/408867179.db2.gz VLGKZNZSEPLIMM-JTQLQIEISA-N 1 0 315.320 1.887 20 5 DDBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000276501247 408872258 /nfs/dbraw/zinc/87/22/58/408872258.db2.gz JMWODCZBGYTLRB-LKFCYVNXSA-N 1 0 304.350 1.390 20 5 DDBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@@H](O)CO)s1 ZINC000276781581 408896251 /nfs/dbraw/zinc/89/62/51/408896251.db2.gz PPTXCNNJAISYOS-SNVBAGLBSA-N 1 0 308.359 1.766 20 5 DDBDRO C[C@H]1CN(Cc2cccc([N+](=O)[O-])c2)CC[N@@H+]1CC(C)(C)O ZINC000189881910 163123551 /nfs/dbraw/zinc/12/35/51/163123551.db2.gz LYTPFWYFHASZGP-ZDUSSCGKSA-N 1 0 307.394 1.872 20 5 DDBDRO Cn1cc(C[NH2+]CC2(O)CCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237906338 163391329 /nfs/dbraw/zinc/39/13/29/163391329.db2.gz PJHHMJHPBQLKMY-UHFFFAOYSA-N 1 0 316.361 2.000 20 5 DDBDRO COc1ccc(NC(=O)C[NH2+][C@@H]2CCOC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000277498259 408952581 /nfs/dbraw/zinc/95/25/81/408952581.db2.gz PGVOFMDADFKFJZ-CMPLNLGQSA-N 1 0 323.349 1.557 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000277609201 408976577 /nfs/dbraw/zinc/97/65/77/408976577.db2.gz PNOPMVSYYFROCT-KGLIPLIRSA-N 1 0 319.361 1.960 20 5 DDBDRO C[NH+](C)C[C@@H]1CN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CCO1 ZINC000278466083 409084287 /nfs/dbraw/zinc/08/42/87/409084287.db2.gz NEUDFIDVVWTVIZ-LLVKDONJSA-N 1 0 305.338 1.238 20 5 DDBDRO O=c1nc([C@@H]2CCC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)[nH][nH]1 ZINC000289167306 409227401 /nfs/dbraw/zinc/22/74/01/409227401.db2.gz FAWVWDBCVHEWGH-LLVKDONJSA-N 1 0 303.322 1.386 20 5 DDBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@@H](CO)[C@@H]2CCOC2)c1 ZINC000280251344 409278088 /nfs/dbraw/zinc/27/80/88/409278088.db2.gz IXLWRYUFORINKF-PWSUYJOCSA-N 1 0 314.769 1.983 20 5 DDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000290201280 409319018 /nfs/dbraw/zinc/31/90/18/409319018.db2.gz RKDFLVMKTGBUMS-RYUDHWBXSA-N 1 0 323.780 1.859 20 5 DDBDRO COC1(C(=O)NCc2cccc([N+](=O)[O-])c2C)CC[NH2+]CC1 ZINC000262534308 163845123 /nfs/dbraw/zinc/84/51/23/163845123.db2.gz QBRHQDQENDQVGI-UHFFFAOYSA-N 1 0 307.350 1.288 20 5 DDBDRO CC[C@H](CO)[N@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000295655214 409360666 /nfs/dbraw/zinc/36/06/66/409360666.db2.gz HSIXEHQZKNFOME-GFCCVEGCSA-N 1 0 307.350 1.187 20 5 DDBDRO Cc1cc(OCC(=O)NC[C@@H](C)[N@H+](C)C2CC2)ccc1[N+](=O)[O-] ZINC000280628377 409385758 /nfs/dbraw/zinc/38/57/58/409385758.db2.gz UINXVKUASPUTQO-GFCCVEGCSA-N 1 0 321.377 1.881 20 5 DDBDRO CCO[C@H]1C[C@@]([NH3+])(C(=O)NCc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000186737278 306718052 /nfs/dbraw/zinc/71/80/52/306718052.db2.gz XGXWQVJTABIEHT-XJKSGUPXSA-N 1 0 321.377 1.744 20 5 DDBDRO CNc1c(C(=O)N2CCC[C@H]([NH+](C)C)C2)cccc1[N+](=O)[O-] ZINC000317388608 164027317 /nfs/dbraw/zinc/02/73/17/164027317.db2.gz FOJCNLVHAMJIQT-NSHDSACASA-N 1 0 306.366 1.803 20 5 DDBDRO COCC(=O)N1CCC([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000320034038 164040172 /nfs/dbraw/zinc/04/01/72/164040172.db2.gz OJZGZKCJRVPRMS-GFCCVEGCSA-N 1 0 321.377 1.883 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[N@@H+](C2CC2)C[C@@H](C)C1 ZINC000295454280 409491366 /nfs/dbraw/zinc/49/13/66/409491366.db2.gz WULLYATUGVUAMH-LLVKDONJSA-N 1 0 321.381 1.042 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NCCNc1cc[nH+]cc1 ZINC000338072821 409696994 /nfs/dbraw/zinc/69/69/94/409696994.db2.gz ZUYIELPQMRYPGU-UHFFFAOYSA-N 1 0 316.317 1.262 20 5 DDBDRO C[C@H](C[NH+](C)C)NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000346152331 409825079 /nfs/dbraw/zinc/82/50/79/409825079.db2.gz HHZAACJLHGCKAR-LLVKDONJSA-N 1 0 304.350 1.616 20 5 DDBDRO CO[C@@H](C)C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C(C)C ZINC000354367298 409801695 /nfs/dbraw/zinc/80/16/95/409801695.db2.gz JSASUAXXZZLBSD-NSHDSACASA-N 1 0 309.366 1.939 20 5 DDBDRO [NH3+]C[C@H]1CN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CCCO1 ZINC000313378935 409807195 /nfs/dbraw/zinc/80/71/95/409807195.db2.gz NZFJPVYTRJTOIW-YBJDMEARSA-N 1 0 305.334 1.184 20 5 DDBDRO C[C@@H](C[NH+](C)C)NC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000346131783 409807704 /nfs/dbraw/zinc/80/77/04/409807704.db2.gz HWWRAODQWMJBTG-LBPRGKRZSA-N 1 0 308.382 1.853 20 5 DDBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccncc1F ZINC000338343168 409924845 /nfs/dbraw/zinc/92/48/45/409924845.db2.gz NJIGQKHMXJTARF-JTQLQIEISA-N 1 0 306.297 1.641 20 5 DDBDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C[C@@H](C)C1 ZINC000346224443 409861458 /nfs/dbraw/zinc/86/14/58/409861458.db2.gz NUHFUYOGNIDLPV-GVXVVHGQSA-N 1 0 306.366 1.725 20 5 DDBDRO C[C@H](O)C[N@@H+]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000342857474 409952633 /nfs/dbraw/zinc/95/26/33/409952633.db2.gz MFSPIUBWGDDFOX-UWERJEOXSA-N 1 0 319.405 1.995 20 5 DDBDRO COC(=O)c1cc(C)nc(N[C@@H]2CCC[N@H+](C)[C@H]2C)c1[N+](=O)[O-] ZINC000342835807 409938936 /nfs/dbraw/zinc/93/89/36/409938936.db2.gz QOPXAQBAOVVKHY-CMPLNLGQSA-N 1 0 322.365 1.979 20 5 DDBDRO CCS(=O)(=O)NCCN(C)CCc1cccc([N+](=O)[O-])c1 ZINC000338359851 409940331 /nfs/dbraw/zinc/94/03/31/409940331.db2.gz ZXHMZNULYQOMEG-UHFFFAOYSA-N 1 0 315.395 1.008 20 5 DDBDRO Cn1c(C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000338682864 410035017 /nfs/dbraw/zinc/03/50/17/410035017.db2.gz URXYSCODCYKAEL-GFCCVEGCSA-N 1 0 306.366 1.634 20 5 DDBDRO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])n1C)[N@@H+]1CCCC[C@@H]1C ZINC000343076664 410125458 /nfs/dbraw/zinc/12/54/58/410125458.db2.gz NHECTAVUUKKFOV-NWDGAFQWSA-N 1 0 308.382 1.926 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@@H](C)[C@@H](O)C1 ZINC000351827958 410271395 /nfs/dbraw/zinc/27/13/95/410271395.db2.gz MSUSNIUMXFCBPM-RISCZKNCSA-N 1 0 307.350 1.544 20 5 DDBDRO CCOc1ccc([C@H](C)NC[C@]2(O)CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000358251981 410420255 /nfs/dbraw/zinc/42/02/55/410420255.db2.gz NDFMMNRJFANMOT-BLLLJJGKSA-N 1 0 323.393 1.711 20 5 DDBDRO C[C@H]1CN(c2ccncc2[N+](=O)[O-])CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000343425654 410441655 /nfs/dbraw/zinc/44/16/55/410441655.db2.gz LOMMRCJCGHTIIF-KBPBESRZSA-N 1 0 319.409 1.452 20 5 DDBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H](NC(N)=O)C1 ZINC000347361671 410496393 /nfs/dbraw/zinc/49/63/93/410496393.db2.gz PWMBVKBYKCWAIX-HJTPGIPUSA-N 1 0 304.350 1.741 20 5 DDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000339953023 410572012 /nfs/dbraw/zinc/57/20/12/410572012.db2.gz MQVOTKDXQMPIBH-VXGBXAGGSA-N 1 0 318.377 1.993 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000355594269 410599498 /nfs/dbraw/zinc/59/94/98/410599498.db2.gz DNFXYLCOYXZVAL-OAHLLOKOSA-N 1 0 322.365 1.400 20 5 DDBDRO C[NH+](C)C[C@@](C)(O)CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000343571790 410542779 /nfs/dbraw/zinc/54/27/79/410542779.db2.gz TVJUTNYZFQODTG-INIZCTEOSA-N 1 0 323.393 1.301 20 5 DDBDRO CO[C@@H]1CCN(CCOc2ccc([N+](=O)[O-])cc2)[C@@H](C[NH3+])C1 ZINC000359048195 410549750 /nfs/dbraw/zinc/54/97/50/410549750.db2.gz VIUKLIRXIZQZDM-UKRRQHHQSA-N 1 0 309.366 1.412 20 5 DDBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H](C)C[NH3+] ZINC000347667132 410665958 /nfs/dbraw/zinc/66/59/58/410665958.db2.gz KACGICHPKPYEDZ-JGVFFNPUSA-N 1 0 301.730 1.479 20 5 DDBDRO CNC(=O)c1ccc(N2CC[C@@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000301149048 410667005 /nfs/dbraw/zinc/66/70/05/410667005.db2.gz LTQOOMNRQOQRHE-CYBMUJFWSA-N 1 0 318.377 1.629 20 5 DDBDRO CCS[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000300659851 410647481 /nfs/dbraw/zinc/64/74/81/410647481.db2.gz MIZJMTCZHOMIQL-YNEHKIRRSA-N 1 0 314.411 1.416 20 5 DDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000301443393 410719861 /nfs/dbraw/zinc/71/98/61/410719861.db2.gz WTDUMZLDELTZEO-YPMHNXCESA-N 1 0 318.377 1.627 20 5 DDBDRO C[C@H](CNc1c(F)cc([N+](=O)[O-])cc1F)N1CC[NH+](C)CC1 ZINC000301766701 410789518 /nfs/dbraw/zinc/78/95/18/410789518.db2.gz DFSWRJHYJKBRLJ-SNVBAGLBSA-N 1 0 314.336 1.921 20 5 DDBDRO C[C@@H]1C[N@H+](C)CCN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000330678258 410872576 /nfs/dbraw/zinc/87/25/76/410872576.db2.gz WLJHKOFSPGOMIQ-GFCCVEGCSA-N 1 0 306.366 1.194 20 5 DDBDRO C[C@@H]([NH2+][C@H](CC(N)=O)C1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000348279098 410895162 /nfs/dbraw/zinc/89/51/62/410895162.db2.gz OJMNHGMZKROUJL-BXUZGUMPSA-N 1 0 321.377 1.916 20 5 DDBDRO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@@H](O)C(F)(F)F)CC2)n1 ZINC000331112469 410955560 /nfs/dbraw/zinc/95/55/60/410955560.db2.gz CEUQAMRXQIPPFN-SECBINFHSA-N 1 0 308.260 1.351 20 5 DDBDRO COC1(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCCC1 ZINC000580435555 422931853 /nfs/dbraw/zinc/93/18/53/422931853.db2.gz ASUITHNJODJXPA-CYBMUJFWSA-N 1 0 324.377 1.883 20 5 DDBDRO C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000135541348 196484777 /nfs/dbraw/zinc/48/47/77/196484777.db2.gz XZWAFRJLCNNKKW-AAEUAGOBSA-N 1 0 319.365 1.097 20 5 DDBDRO C[N@@H+]1CC[C@@](O)(CNc2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC000613049714 416674078 /nfs/dbraw/zinc/67/40/78/416674078.db2.gz ORKFNVVUYQPFPU-CQSZACIVSA-N 1 0 303.322 1.017 20 5 DDBDRO CNc1nccc(C(=O)N(C)CC2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000515069822 416690805 /nfs/dbraw/zinc/69/08/05/416690805.db2.gz PSLKMJUDWIGPST-UHFFFAOYSA-N 1 0 321.381 1.445 20 5 DDBDRO COc1ccc(CNC(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000417203755 225243838 /nfs/dbraw/zinc/24/38/38/225243838.db2.gz ZBYBUSMGDFRMJV-CMPLNLGQSA-N 1 0 322.365 1.482 20 5 DDBDRO C[C@@H]1CN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)[C@@H](C)C[NH2+]1 ZINC000420406498 226485710 /nfs/dbraw/zinc/48/57/10/226485710.db2.gz UJEHXKMLNPLERA-MNOVXSKESA-N 1 0 317.349 1.827 20 5 DDBDRO [NH3+][C@H]1CCC[C@@H](CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000420456864 226501473 /nfs/dbraw/zinc/50/14/73/226501473.db2.gz APJXKKKGFQMLNN-MNOVXSKESA-N 1 0 313.379 1.391 20 5 DDBDRO C[NH+](C)C1(CNc2c(C(N)=O)cccc2[N+](=O)[O-])CCCC1 ZINC000420587650 226513856 /nfs/dbraw/zinc/51/38/56/226513856.db2.gz QFJSCMAMUFQKBW-UHFFFAOYSA-N 1 0 306.366 1.980 20 5 DDBDRO C[C@H](CC[NH+](C)C)NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000353961042 306766482 /nfs/dbraw/zinc/76/64/82/306766482.db2.gz SCDNLITVKDXCHF-GFCCVEGCSA-N 1 0 308.382 1.853 20 5 DDBDRO CCCN(CCC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000189275534 418521281 /nfs/dbraw/zinc/52/12/81/418521281.db2.gz SEANKKYOXOUMCN-UHFFFAOYSA-N 1 0 309.370 1.376 20 5 DDBDRO COc1cccc(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000192498491 418523569 /nfs/dbraw/zinc/52/35/69/418523569.db2.gz RAYPNUNWYODWPH-GFCCVEGCSA-N 1 0 319.361 1.914 20 5 DDBDRO Cc1c([C@H]2CCC[N@@H+]2CCn2ccc([N+](=O)[O-])n2)cnn1C ZINC000360848405 418533779 /nfs/dbraw/zinc/53/37/79/418533779.db2.gz KJNFMOQACJLTCD-CYBMUJFWSA-N 1 0 304.354 1.670 20 5 DDBDRO C[NH+](C)CCN1CCCN(c2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000367165665 418567144 /nfs/dbraw/zinc/56/71/44/418567144.db2.gz OTQMFUGVTNLRTH-UHFFFAOYSA-N 1 0 307.398 1.251 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000374639957 418549919 /nfs/dbraw/zinc/54/99/19/418549919.db2.gz BRGWIPCZFIQQRY-GDLCADMTSA-N 1 0 304.350 1.498 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)n1 ZINC000191772459 222108147 /nfs/dbraw/zinc/10/81/47/222108147.db2.gz QSCYALNLGWISIQ-NWDGAFQWSA-N 1 0 323.397 1.661 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000294231584 418583060 /nfs/dbraw/zinc/58/30/60/418583060.db2.gz RNIGAPARVNNCMZ-HNNXBMFYSA-N 1 0 321.381 1.044 20 5 DDBDRO O=C(COc1cccc([N+](=O)[O-])c1)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000361109355 418586028 /nfs/dbraw/zinc/58/60/28/418586028.db2.gz NBUYXCNFJFKSQS-LSDHHAIUSA-N 1 0 319.361 1.478 20 5 DDBDRO O=C1CC[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)[C@H](C2CC2)N1 ZINC000367465104 418601331 /nfs/dbraw/zinc/60/13/31/418601331.db2.gz YCRRMSWCFOQJDA-HOCLYGCPSA-N 1 0 303.362 1.784 20 5 DDBDRO C[NH+](C)[C@@H](CNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1)C1CC1 ZINC000342000643 418627173 /nfs/dbraw/zinc/62/71/73/418627173.db2.gz CCGNDWAJLQEIOE-ZDUSSCGKSA-N 1 0 317.349 1.996 20 5 DDBDRO CO[C@@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000361363660 418635786 /nfs/dbraw/zinc/63/57/86/418635786.db2.gz ZFLIWQIZMPODAU-CYBMUJFWSA-N 1 0 307.350 1.953 20 5 DDBDRO COc1cc(CN2C[C@H](C)O[C@@]3(CCOC3)C2)ccc1[N+](=O)[O-] ZINC000361506884 418665345 /nfs/dbraw/zinc/66/53/45/418665345.db2.gz BSODHWIWIIRLNH-LRDDRELGSA-N 1 0 322.361 1.983 20 5 DDBDRO C[C@@H]1OCC[C@@H]1[N@H+](CCO)CCOc1cccc([N+](=O)[O-])c1 ZINC000361587117 418688084 /nfs/dbraw/zinc/68/80/84/418688084.db2.gz UWNFTDBMEYHTSN-WFASDCNBSA-N 1 0 310.350 1.445 20 5 DDBDRO CC[C@@H]1C(=O)NCCN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411292469 418889269 /nfs/dbraw/zinc/88/92/69/418889269.db2.gz MRLRRCDBKMBNRK-CYBMUJFWSA-N 1 0 320.349 1.134 20 5 DDBDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@H]2C[C@@H]2[N+](=O)[O-])CC1 ZINC000372125449 418838730 /nfs/dbraw/zinc/83/87/30/418838730.db2.gz KBCVMYVNGCFKNW-UGFHNGPFSA-N 1 0 318.377 1.388 20 5 DDBDRO CCOc1ccc(C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)cc1[N+](=O)[O-] ZINC000372918046 418913930 /nfs/dbraw/zinc/91/39/30/418913930.db2.gz QTOUNWAHAQIAKE-DGCLKSJQSA-N 1 0 319.361 1.818 20 5 DDBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@](O)(C2CC2)C1 ZINC000365840938 418915416 /nfs/dbraw/zinc/91/54/16/418915416.db2.gz XBJOLLCGFALCMQ-ZBEGNZNMSA-N 1 0 319.361 1.769 20 5 DDBDRO C[NH2+][C@H]1CCN(C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000417844334 419352746 /nfs/dbraw/zinc/35/27/46/419352746.db2.gz HJVRUJUVLUMVGD-YPMHNXCESA-N 1 0 306.366 1.968 20 5 DDBDRO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1(CO)CCC1 ZINC000411754676 419399800 /nfs/dbraw/zinc/39/98/00/419399800.db2.gz FKQCOPQRBGMBJK-UHFFFAOYSA-N 1 0 307.350 1.770 20 5 DDBDRO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)(C)C(N)=O ZINC000411765812 419404262 /nfs/dbraw/zinc/40/42/62/419404262.db2.gz AHUKHWYMBGONAN-UHFFFAOYSA-N 1 0 308.338 1.119 20 5 DDBDRO CCC[C@@H]1C[NH2+]CCN1C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000417949599 419415950 /nfs/dbraw/zinc/41/59/50/419415950.db2.gz VGMJELZSKWJNDF-OAHLLOKOSA-N 1 0 320.393 1.921 20 5 DDBDRO O=C(C[N@H+]1CCC[C@@H]1CCO)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000426241815 419418036 /nfs/dbraw/zinc/41/80/36/419418036.db2.gz XEKWEDDOLCNWAV-CYBMUJFWSA-N 1 0 319.361 1.331 20 5 DDBDRO C[C@H]1C[C@H](CO)C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000420943352 419373083 /nfs/dbraw/zinc/37/30/83/419373083.db2.gz PSSHVQSGBFTFFP-STQMWFEESA-N 1 0 321.377 1.874 20 5 DDBDRO C[NH2+]CCNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000417982397 419448576 /nfs/dbraw/zinc/44/85/76/419448576.db2.gz DPVHMJFDOTYHBY-UHFFFAOYSA-N 1 0 300.746 1.309 20 5 DDBDRO [NH3+][C@@H](CNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CC1 ZINC000418080402 419516302 /nfs/dbraw/zinc/51/63/02/419516302.db2.gz CCLQIPGEYOTCEM-JTQLQIEISA-N 1 0 318.337 1.008 20 5 DDBDRO COc1cc(CN[C@H](C)C[NH3+])c([N+](=O)[O-])cc1OCC(F)F ZINC000414937969 419880994 /nfs/dbraw/zinc/88/09/94/419880994.db2.gz XXTFVNIALDRTJJ-MRVPVSSYSA-N 1 0 319.308 1.684 20 5 DDBDRO COc1cc(CN[C@H]2CC[NH2+][C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000414959010 419894541 /nfs/dbraw/zinc/89/45/41/419894541.db2.gz WWBABLRCQODEJJ-JQWIXIFHSA-N 1 0 309.366 1.842 20 5 DDBDRO O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000299399637 229097921 /nfs/dbraw/zinc/09/79/21/229097921.db2.gz KEORYNAYEXGBGY-LBPRGKRZSA-N 1 0 314.345 1.996 20 5 DDBDRO Cn1ccnc1[C@H](NC[C@H]([NH3+])C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000423326297 420014147 /nfs/dbraw/zinc/01/41/47/420014147.db2.gz QWQZFMQKXZWXGB-LSDHHAIUSA-N 1 0 315.377 1.745 20 5 DDBDRO C[C@H]([NH3+])c1ccc(CNC(=O)CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000429486571 420020310 /nfs/dbraw/zinc/02/03/10/420020310.db2.gz CXRDZSKNQIPVIL-NSHDSACASA-N 1 0 317.349 1.518 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000423618650 420101508 /nfs/dbraw/zinc/10/15/08/420101508.db2.gz HLPKCJOYIXYJJM-QWRGUYRKSA-N 1 0 307.350 1.864 20 5 DDBDRO C[NH2+]C[C@H]1CCCN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000430552362 420136319 /nfs/dbraw/zinc/13/63/19/420136319.db2.gz AZTJCOZMCABGIA-CYBMUJFWSA-N 1 0 317.349 1.829 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000430565164 420140478 /nfs/dbraw/zinc/14/04/78/420140478.db2.gz OMNPPKAIXPRBSU-OLZOCXBDSA-N 1 0 320.393 1.901 20 5 DDBDRO COC(=O)[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)[C@H]1C ZINC000430231956 420091798 /nfs/dbraw/zinc/09/17/98/420091798.db2.gz DNRHJSRXBUYVDY-GXFFZTMASA-N 1 0 308.334 1.987 20 5 DDBDRO CN(CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H](C[NH3+])C1CC1 ZINC000420309766 420199508 /nfs/dbraw/zinc/19/95/08/420199508.db2.gz FMYMJTMHFMNPHN-AWEZNQCLSA-N 1 0 306.366 1.593 20 5 DDBDRO [NH3+]C[C@H]1CN(Cc2c(F)cccc2[N+](=O)[O-])CC12CCOCC2 ZINC000420320364 420204517 /nfs/dbraw/zinc/20/45/17/420204517.db2.gz BKIZZQUTNXLHBY-LBPRGKRZSA-N 1 0 323.368 1.921 20 5 DDBDRO C[C@]1(F)C[NH2+]CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000420328165 420212983 /nfs/dbraw/zinc/21/29/83/420212983.db2.gz DXDKJUVDZJMLBW-AWEZNQCLSA-N 1 0 310.329 1.167 20 5 DDBDRO C[NH2+]C1CCN(CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000430936755 420214669 /nfs/dbraw/zinc/21/46/69/420214669.db2.gz WOHWZLJZVZPJAQ-UHFFFAOYSA-N 1 0 320.393 1.916 20 5 DDBDRO O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[C@H]1CC12CC[NH2+]CC2 ZINC000423724766 420143789 /nfs/dbraw/zinc/14/37/89/420143789.db2.gz NJJWWVZUFFMZMZ-LLVKDONJSA-N 1 0 315.333 1.799 20 5 DDBDRO O=C([C@H]1C[NH2+]CCO1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423730947 420146682 /nfs/dbraw/zinc/14/66/82/420146682.db2.gz XFLDWAZLSYDDCJ-CQSZACIVSA-N 1 0 305.334 1.074 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000430596435 420150198 /nfs/dbraw/zinc/15/01/98/420150198.db2.gz OBMYWHJGIOMPCP-FZMZJTMJSA-N 1 0 320.393 1.901 20 5 DDBDRO Cn1ccnc1C(=O)c1ccc(NCCCC[NH3+])c([N+](=O)[O-])c1 ZINC000420232853 420160499 /nfs/dbraw/zinc/16/04/99/420160499.db2.gz MCXPJXZTAJUJCW-UHFFFAOYSA-N 1 0 317.349 1.710 20 5 DDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC[C@H](C[NH3+])C1 ZINC000430633303 420164989 /nfs/dbraw/zinc/16/49/89/420164989.db2.gz ZRJDFWKFPNSUCL-VXGBXAGGSA-N 1 0 306.366 1.593 20 5 DDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCCN1CC[NH2+]CC1 ZINC000415757285 420167942 /nfs/dbraw/zinc/16/79/42/420167942.db2.gz GAKILWXPXCIVIX-UHFFFAOYSA-N 1 0 321.381 1.184 20 5 DDBDRO C[C@H]1[NH2+]CCC[C@H]1Nc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000420251667 420169100 /nfs/dbraw/zinc/16/91/00/420169100.db2.gz XPMLTGJDEJCZRI-BXKDBHETSA-N 1 0 303.322 2.197 20 5 DDBDRO C[NH2+]C[C@@H]1CCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000430972639 420229334 /nfs/dbraw/zinc/22/93/34/420229334.db2.gz UATYWFXPHZBUAV-NEPJUHHUSA-N 1 0 306.366 1.463 20 5 DDBDRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000420360488 420234959 /nfs/dbraw/zinc/23/49/59/420234959.db2.gz HERXQIOYHBHBDK-GPCCPHFNSA-N 1 0 306.366 1.170 20 5 DDBDRO C[C@H](N[C@@H]1[C@@H](C)CC[NH2+][C@H]1C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000420373530 420245240 /nfs/dbraw/zinc/24/52/40/420245240.db2.gz RHJIDAQATKSXID-JUFZMCDQSA-N 1 0 320.393 1.898 20 5 DDBDRO CC(C)(C)[C@H](CN)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000420373418 420246835 /nfs/dbraw/zinc/24/68/35/420246835.db2.gz ZDTWQWJJFDYXQR-ZDUSSCGKSA-N 1 0 308.382 1.886 20 5 DDBDRO C[NH+](C)C[C@H](O)CN[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433124556 420247754 /nfs/dbraw/zinc/24/77/54/420247754.db2.gz DFUFHWRUKBKWQV-IUODEOHRSA-N 1 0 307.394 1.829 20 5 DDBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NCCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000420381743 420250410 /nfs/dbraw/zinc/25/04/10/420250410.db2.gz ZJHWHSGTCDHDCS-BFQNTYOBSA-N 1 0 320.393 1.900 20 5 DDBDRO [NH3+][C@@H]1CN(CCn2cc([N+](=O)[O-])cn2)C[C@H]1c1ccccc1F ZINC000420392520 420259117 /nfs/dbraw/zinc/25/91/17/420259117.db2.gz VDDSPCJWSLWNMJ-DZGCQCFKSA-N 1 0 319.340 1.357 20 5 DDBDRO COc1ccc(OCCN2CC[NH2+][C@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000436063064 420306724 /nfs/dbraw/zinc/30/67/24/420306724.db2.gz STYGGAGQMKUMDL-VXGBXAGGSA-N 1 0 309.366 1.664 20 5 DDBDRO Cc1cc(S(=O)(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000420447847 420292971 /nfs/dbraw/zinc/29/29/71/420292971.db2.gz KDLIEMSEVGJRLO-GHMZBOCLSA-N 1 0 313.379 1.309 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@H](C)[C@H](C)[NH3+])c1C ZINC000420450662 420296529 /nfs/dbraw/zinc/29/65/29/420296529.db2.gz YOUBATWYVUFSCT-VHSXEESVSA-N 1 0 301.368 1.226 20 5 DDBDRO C[C@H]1CN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000443457870 230012980 /nfs/dbraw/zinc/01/29/80/230012980.db2.gz XSORSKVYBUJDMW-GWCFXTLKSA-N 1 0 313.379 1.094 20 5 DDBDRO C[NH+](C)C[C@@H](O)CN[C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417317127 420448813 /nfs/dbraw/zinc/44/88/13/420448813.db2.gz VRMGPQYHQCLVCJ-GOEBONIOSA-N 1 0 307.394 1.874 20 5 DDBDRO CC1(C)CCC[N@@H+]1CCNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000457080290 420604149 /nfs/dbraw/zinc/60/41/49/420604149.db2.gz UIQIDNDZWYKQSR-UHFFFAOYSA-N 1 0 321.377 1.964 20 5 DDBDRO C[C@@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)CS(C)(=O)=O ZINC000451105250 420591388 /nfs/dbraw/zinc/59/13/88/420591388.db2.gz LWJBFQCKWVKZOC-QWRGUYRKSA-N 1 0 300.380 1.926 20 5 DDBDRO C[C@H](C[NH3+])CNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000441599562 420656617 /nfs/dbraw/zinc/65/66/17/420656617.db2.gz ONTSRFYRPLAOPC-MRVPVSSYSA-N 1 0 304.306 1.173 20 5 DDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@@H]2C=C[C@H](CO)C2)n1 ZINC000447578439 420784522 /nfs/dbraw/zinc/78/45/22/420784522.db2.gz FNDCYKJGLQZSMK-RFQIPJPRSA-N 1 0 306.366 1.802 20 5 DDBDRO O=C(CC[NH2+][C@@H](CO)[C@@H]1CCCO1)Nc1ccccc1[N+](=O)[O-] ZINC000447907622 420815083 /nfs/dbraw/zinc/81/50/83/420815083.db2.gz ACPKIGSPLXMXES-JSGCOSHPSA-N 1 0 323.349 1.053 20 5 DDBDRO C[NH2+]C1CCN(C(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000493391615 420837005 /nfs/dbraw/zinc/83/70/05/420837005.db2.gz RPJODLTUSRSECM-HYXAFXHYSA-N 1 0 307.325 1.958 20 5 DDBDRO CC[C@@H]1OCC[C@H]1[NH2+]CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000459781347 420871303 /nfs/dbraw/zinc/87/13/03/420871303.db2.gz SHQLNWCZYGIROM-YPMHNXCESA-N 1 0 307.350 1.999 20 5 DDBDRO COc1ccc(CN2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000449534831 421023750 /nfs/dbraw/zinc/02/37/50/421023750.db2.gz NDDCLDSGXBVXDQ-BETUJISGSA-N 1 0 323.393 1.490 20 5 DDBDRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000449637141 421040963 /nfs/dbraw/zinc/04/09/63/421040963.db2.gz GBDCHPZGADDFMF-CHWSQXEVSA-N 1 0 321.377 1.997 20 5 DDBDRO C[C@H]1C[N@H+](CCO)CCN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000449787388 421084810 /nfs/dbraw/zinc/08/48/10/421084810.db2.gz VEEJEDSCXCOQMY-NSHDSACASA-N 1 0 313.785 1.747 20 5 DDBDRO COc1c(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cccc1[N+](=O)[O-] ZINC000456335532 421143880 /nfs/dbraw/zinc/14/38/80/421143880.db2.gz XHSNNURXUAQKOM-YOGCLGLASA-N 1 0 319.361 1.958 20 5 DDBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@H](CO)C[NH+]1CCCCC1 ZINC000450516074 421205933 /nfs/dbraw/zinc/20/59/33/421205933.db2.gz ANSKATPTJSSWSV-LBPRGKRZSA-N 1 0 311.386 1.378 20 5 DDBDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000547755798 421363897 /nfs/dbraw/zinc/36/38/97/421363897.db2.gz AFWFOVWHCOSHSN-GMTAPVOTSA-N 1 0 309.370 1.414 20 5 DDBDRO O=[N+]([O-])c1cc2c(nc1N1CC[C@@H]3C[NH2+]C[C@@H]3C1)CCCC2 ZINC000516065861 421526178 /nfs/dbraw/zinc/52/61/78/421526178.db2.gz WHGQMXMTOGGVGW-CHWSQXEVSA-N 1 0 302.378 1.914 20 5 DDBDRO [NH3+]CCC1CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000515308078 421490738 /nfs/dbraw/zinc/49/07/38/421490738.db2.gz UXFFQOHLLRGZIC-UHFFFAOYSA-N 1 0 321.377 1.951 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000515404017 421499055 /nfs/dbraw/zinc/49/90/55/421499055.db2.gz BDSCIMZMVDPJLK-UONOGXRCSA-N 1 0 314.345 1.419 20 5 DDBDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)C[C@@H](C)C1 ZINC000553785428 421625543 /nfs/dbraw/zinc/62/55/43/421625543.db2.gz ZEFLTRVISQPIRV-ZOWXZIJZSA-N 1 0 318.377 1.792 20 5 DDBDRO CC[C@@H]1CCCC[C@H]1C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000518759464 421666075 /nfs/dbraw/zinc/66/60/75/421666075.db2.gz WFHOFCSDKJUIHP-IPYPFGDCSA-N 1 0 310.398 1.958 20 5 DDBDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)c1cc([N+](=O)[O-])cn1C ZINC000521672131 421796568 /nfs/dbraw/zinc/79/65/68/421796568.db2.gz OPMSHGIVHKSCGB-TXEJJXNPSA-N 1 0 308.382 1.926 20 5 DDBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000572605466 421806255 /nfs/dbraw/zinc/80/62/55/421806255.db2.gz LOTOCSZDDDVWGV-LLVKDONJSA-N 1 0 320.393 1.979 20 5 DDBDRO CC(C)[C@H](C(=O)NCCOc1ccc([N+](=O)[O-])cc1)[C@H](C)[NH3+] ZINC000583434666 422162475 /nfs/dbraw/zinc/16/24/75/422162475.db2.gz ANABZEQRTXSUSG-FZMZJTMJSA-N 1 0 309.366 1.709 20 5 DDBDRO Nc1nccc(C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)c1[N+](=O)[O-] ZINC000594345123 422346303 /nfs/dbraw/zinc/34/63/03/422346303.db2.gz UEENKVZFCYAHFT-LLVKDONJSA-N 1 0 319.365 1.319 20 5 DDBDRO O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)C1([NH2+]C2CC2)CCC1 ZINC000595952635 422359493 /nfs/dbraw/zinc/35/94/93/422359493.db2.gz QWCIYEWUUFAONO-UHFFFAOYSA-N 1 0 315.333 2.084 20 5 DDBDRO C[C@@H]1CC([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000577842053 422437372 /nfs/dbraw/zinc/43/73/72/422437372.db2.gz GZEUEIJAEPIDHJ-LALPHHSUSA-N 1 0 324.377 1.880 20 5 DDBDRO Cc1ccc(S(=O)(=O)N[C@H](C)C[C@@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000577729396 422416303 /nfs/dbraw/zinc/41/63/03/422416303.db2.gz MXRAALMAYCMEBV-NXEZZACHSA-N 1 0 301.368 1.307 20 5 DDBDRO CC[C@H]1C[N@H+](C)CCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000578589558 422600090 /nfs/dbraw/zinc/60/00/90/422600090.db2.gz ZVUCRLSZDBDBCQ-DZGCQCFKSA-N 1 0 323.393 1.361 20 5 DDBDRO COC[C@@]1(CNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)CCC[NH2+]1 ZINC000323702335 271030759 /nfs/dbraw/zinc/03/07/59/271030759.db2.gz GHQRGDIOOUCTAS-MOEXGYKKSA-N 1 0 319.361 1.493 20 5 DDBDRO CC(=O)[C@@H](NC(=O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000341594852 271132357 /nfs/dbraw/zinc/13/23/57/271132357.db2.gz SRKGMJWXIOUBIG-ZBEGNZNMSA-N 1 0 321.377 1.975 20 5 DDBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@]1(O)CCN(C)C1 ZINC000344869429 272132730 /nfs/dbraw/zinc/13/27/30/272132730.db2.gz RSIKXSZJQXYRFY-RQPMMQJISA-N 1 0 305.378 1.654 20 5 DDBDRO CC[C@H](C)[NH+]1CCN(c2cccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000450867780 273744242 /nfs/dbraw/zinc/74/42/42/273744242.db2.gz ZZRNYLKHJBPYRJ-NSHDSACASA-N 1 0 306.366 1.614 20 5 DDBDRO COc1cc(F)c([N+](=O)[O-])c(NC[C@@](C)(O)C[NH+](C)C)c1 ZINC000301771037 274095856 /nfs/dbraw/zinc/09/58/56/274095856.db2.gz KUBQMFCWDPYDLL-CYBMUJFWSA-N 1 0 301.318 1.467 20 5 DDBDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000180925193 274217440 /nfs/dbraw/zinc/21/74/40/274217440.db2.gz CHTMRVGYBYNSGJ-NSHDSACASA-N 1 0 306.366 1.781 20 5 DDBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000286183484 274308678 /nfs/dbraw/zinc/30/86/78/274308678.db2.gz RMHDNWKLRNCMEP-VYUIOLGVSA-N 1 0 322.321 1.619 20 5 DDBDRO [NH3+]C[C@H](NC(=O)Nc1ccncc1[N+](=O)[O-])C1CCCCC1 ZINC000415381722 274950558 /nfs/dbraw/zinc/95/05/58/274950558.db2.gz IWUFURLCJSQHSX-LBPRGKRZSA-N 1 0 307.354 1.441 20 5 DDBDRO CC[N@H+](CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000102183692 276131676 /nfs/dbraw/zinc/13/16/76/276131676.db2.gz NNBCVKCICVDEPS-UHFFFAOYSA-N 1 0 313.379 1.357 20 5 DDBDRO C[NH2+][C@@H](C)CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000261633489 277293668 /nfs/dbraw/zinc/29/36/68/277293668.db2.gz CQFVWLVFSBMSFI-ZETCQYMHSA-N 1 0 305.256 1.951 20 5 DDBDRO CS[C@H]1CN(c2ncc([N+](=O)[O-])cc2F)C[C@@H]1[NH+](C)C ZINC000413204630 278168458 /nfs/dbraw/zinc/16/84/58/278168458.db2.gz JGXOEODFTULHRM-QWRGUYRKSA-N 1 0 300.359 1.611 20 5 DDBDRO C[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)[C@H]1C[NH3+] ZINC000440412257 278484673 /nfs/dbraw/zinc/48/46/73/278484673.db2.gz KESPKXDKXNKXGH-BDAKNGLRSA-N 1 0 319.408 1.404 20 5 DDBDRO CC(C)(CO)[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)C1CC1 ZINC000292917908 278623828 /nfs/dbraw/zinc/62/38/28/278623828.db2.gz BNSGYMIDTYUKID-AWEZNQCLSA-N 1 0 309.366 1.143 20 5 DDBDRO C[C@@H]1OCC[C@]1(O)C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000433006686 279055881 /nfs/dbraw/zinc/05/58/81/279055881.db2.gz RGPFFYJQMKLAFU-XPCVCDNBSA-N 1 0 324.381 1.405 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CC[NH+](C3CC3)CC2)c1 ZINC000125909103 281220169 /nfs/dbraw/zinc/22/01/69/281220169.db2.gz TZTXPNJNHDTIHG-HNNXBMFYSA-N 1 0 321.377 1.115 20 5 DDBDRO CC(C)[NH2+]C1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000132919486 281472957 /nfs/dbraw/zinc/47/29/57/281472957.db2.gz ZWEDTTZELCGZQZ-UHFFFAOYSA-N 1 0 308.382 1.219 20 5 DDBDRO C[C@@H](c1ccccc1)[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000246630567 282003047 /nfs/dbraw/zinc/00/30/47/282003047.db2.gz AWSBLIBGLYVMAC-SWLSCSKDSA-N 1 0 304.350 1.845 20 5 DDBDRO CN(CC[NH+](C)C)C(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000272790909 289129997 /nfs/dbraw/zinc/12/99/97/289129997.db2.gz JRSMJYVKWFEGQQ-CQSZACIVSA-N 1 0 320.349 1.108 20 5 DDBDRO C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[NH2+]C1 ZINC000050163265 289987234 /nfs/dbraw/zinc/98/72/34/289987234.db2.gz IKRFBLUIYBVOBH-WDEREUQCSA-N 1 0 313.379 1.261 20 5 DDBDRO [NH3+]C[C@H](NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000087384051 295264278 /nfs/dbraw/zinc/26/42/78/295264278.db2.gz VWYZPGZSZKQAKO-VIFPVBQESA-N 1 0 319.770 1.264 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C(C2CCC2)C2CCC2)c1 ZINC000325031189 298262818 /nfs/dbraw/zinc/26/28/18/298262818.db2.gz MBVPGSXIZRECDQ-CQSZACIVSA-N 1 0 308.382 1.711 20 5 DDBDRO COc1ccc(C[C@@](C)([NH3+])CNc2ncc([N+](=O)[O-])cn2)cc1 ZINC000354611241 298479387 /nfs/dbraw/zinc/47/93/87/298479387.db2.gz XSMCKYGYJJIJGM-OAHLLOKOSA-N 1 0 317.349 1.765 20 5 DDBDRO O=C([C@H]1C[C@H]1[N+](=O)[O-])N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000363295552 300246568 /nfs/dbraw/zinc/24/65/68/300246568.db2.gz HVUGFFZWCLUJPT-LSDHHAIUSA-N 1 0 309.410 1.766 20 5 DDBDRO Cn1cc(C[C@H]2CC[N@H+](CCn3cc([N+](=O)[O-])cn3)C2)cn1 ZINC000363352639 300255702 /nfs/dbraw/zinc/25/57/02/300255702.db2.gz NHXLFWGFSAYPRF-GFCCVEGCSA-N 1 0 304.354 1.089 20 5 DDBDRO C[C@H]1CN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])[C@@H](C)C[NH2+]1 ZINC000129772193 300287708 /nfs/dbraw/zinc/28/77/08/300287708.db2.gz PKXHEHYMDVYVOM-IUCAKERBSA-N 1 0 317.342 1.105 20 5 DDBDRO Cc1cc(N2CC[NH+]([C@@H]3CCSC3)CC2)ncc1[N+](=O)[O-] ZINC000363925458 300327167 /nfs/dbraw/zinc/32/71/67/300327167.db2.gz XBPSNBGZIUAQFE-GFCCVEGCSA-N 1 0 308.407 1.926 20 5 DDBDRO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000364350385 300382011 /nfs/dbraw/zinc/38/20/11/300382011.db2.gz XTEZEFSDJIXDSR-LSDHHAIUSA-N 1 0 321.381 1.267 20 5 DDBDRO O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)[C@H]1C[C@@H]1[N+](=O)[O-] ZINC000364395948 300389493 /nfs/dbraw/zinc/38/94/93/300389493.db2.gz CEVOVUOLUANJJF-UBHSHLNASA-N 1 0 323.418 1.742 20 5 DDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000193398506 301014614 /nfs/dbraw/zinc/01/46/14/301014614.db2.gz PKMYYUQZIJFBRR-MWLCHTKSSA-N 1 0 313.379 1.180 20 5 DDBDRO NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000368957644 301109840 /nfs/dbraw/zinc/10/98/40/301109840.db2.gz FAFWREAWUAHILJ-CQDKDKBSSA-N 1 0 319.361 1.559 20 5 DDBDRO Cc1cc(C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)c([N+](=O)[O-])c(=O)[nH]1 ZINC000370263412 301304844 /nfs/dbraw/zinc/30/48/44/301304844.db2.gz XOXPIIFZKQIUQI-JQWIXIFHSA-N 1 0 320.349 1.170 20 5 DDBDRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(F)cc1[N+](=O)[O-] ZINC000370465581 301344466 /nfs/dbraw/zinc/34/44/66/301344466.db2.gz TWVADDFRNRVSHC-RYUDHWBXSA-N 1 0 323.324 1.327 20 5 DDBDRO Cc1nc(N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)ccc1[N+](=O)[O-] ZINC000370531119 301358306 /nfs/dbraw/zinc/35/83/06/301358306.db2.gz LTLVIPTULPZNOD-UONOGXRCSA-N 1 0 306.366 1.334 20 5 DDBDRO COc1cc(N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)ccc1[N+](=O)[O-] ZINC000375901682 302013202 /nfs/dbraw/zinc/01/32/02/302013202.db2.gz CRIOCWMJSJGTAX-ZFWWWQNUSA-N 1 0 321.377 1.639 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CC[C@H]3OCC[C@H]3C2)c1 ZINC000376034707 302028367 /nfs/dbraw/zinc/02/83/67/302028367.db2.gz MDQJISUIVLKWBF-JGGQBBKZSA-N 1 0 322.361 1.445 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170873534 302044958 /nfs/dbraw/zinc/04/49/58/302044958.db2.gz DSJYIYRSMQONAD-LLVKDONJSA-N 1 0 313.379 1.228 20 5 DDBDRO O=C1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)[C@H](C2CC2)N1 ZINC000376730594 302093542 /nfs/dbraw/zinc/09/35/42/302093542.db2.gz YRQNFTOGIHWRFR-ZFWWWQNUSA-N 1 0 307.325 1.881 20 5 DDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])C12CCC[NH+]1CCC2 ZINC000377905554 302249075 /nfs/dbraw/zinc/24/90/75/302249075.db2.gz SURAIBVRXCCJRY-UHFFFAOYSA-N 1 0 303.362 1.882 20 5 DDBDRO NC(=O)c1ccc(CN2CC3CCC2(C[NH3+])CC3)c([N+](=O)[O-])c1 ZINC000516088473 302783065 /nfs/dbraw/zinc/78/30/65/302783065.db2.gz MFZDPDKGVQTOJH-UHFFFAOYSA-N 1 0 318.377 1.397 20 5 DDBDRO CC(C)[N@H+](C)CC1CCN(C(=O)c2c([N+](=O)[O-])cnn2C)CC1 ZINC000534306279 303330728 /nfs/dbraw/zinc/33/07/28/303330728.db2.gz OPSYFQWFXULEBQ-UHFFFAOYSA-N 1 0 323.397 1.521 20 5 DDBDRO CNc1ccc(C(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000538714001 303390041 /nfs/dbraw/zinc/39/00/41/303390041.db2.gz GFVUDZNREXXXAJ-ABAIWWIYSA-N 1 0 318.377 1.803 20 5 DDBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]C[C@H]2CC[C@@H](CO)O2)n1 ZINC000559869911 303795724 /nfs/dbraw/zinc/79/57/24/303795724.db2.gz DDYLXYDAFKTFCR-RQJABVFESA-N 1 0 324.381 1.405 20 5 DDBDRO Cc1cccc(N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c1[N+](=O)[O-] ZINC000364638886 307049077 /nfs/dbraw/zinc/04/90/77/307049077.db2.gz SKPUUWVPDNAHEV-UKRRQHHQSA-N 1 0 305.378 1.939 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@]2(CCC[C@H]2[NH3+])C1 ZINC000365087202 307058300 /nfs/dbraw/zinc/05/83/00/307058300.db2.gz WREYZLCLMBFZDI-UKRRQHHQSA-N 1 0 304.350 1.642 20 5 DDBDRO O=C(CC[N@H+]1C[C@H]2[C@H](CO)[C@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000366442182 307073875 /nfs/dbraw/zinc/07/38/75/307073875.db2.gz QDSSICFBGNWCHN-GDNZZTSVSA-N 1 0 305.334 1.094 20 5 DDBDRO CCc1ccc([C@@H]2C[NH2+]CCN2C(=O)[C@H]2C[C@@H]2[N+](=O)[O-])cc1 ZINC000367141640 307086926 /nfs/dbraw/zinc/08/69/26/307086926.db2.gz VAYSYXQKPWNJSG-KKUMJFAQSA-N 1 0 303.362 1.387 20 5 DDBDRO O=C(c1ccc([N+](=O)[O-])o1)N1CCC[N@@H+](C2CCOCC2)CC1 ZINC000369543747 307123217 /nfs/dbraw/zinc/12/32/17/307123217.db2.gz LRRFUBONVLOHRS-UHFFFAOYSA-N 1 0 323.349 1.515 20 5 DDBDRO CCCNC(=O)[C@H](C)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000369693726 307127046 /nfs/dbraw/zinc/12/70/46/307127046.db2.gz UUENCGOSLNHRBE-NSHDSACASA-N 1 0 309.370 1.343 20 5 DDBDRO O=C(CC[N@H+]1C[C@H](O)C2(CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000372297519 307167967 /nfs/dbraw/zinc/16/79/67/307167967.db2.gz VKEVZPPGVCPWTH-ZDUSSCGKSA-N 1 0 305.334 1.380 20 5 DDBDRO C[NH+]1CCC(N2CC[C@@H](Nc3ncc([N+](=O)[O-])s3)C2)CC1 ZINC000374422491 307208071 /nfs/dbraw/zinc/20/80/71/307208071.db2.gz KDFYPZOKTPIHFU-SNVBAGLBSA-N 1 0 311.411 1.632 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)n1 ZINC000375431862 307226207 /nfs/dbraw/zinc/22/62/07/307226207.db2.gz TVWRURBDUHWQLQ-LLVKDONJSA-N 1 0 318.337 1.541 20 5 DDBDRO [NH3+][C@H]1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000376118505 307239510 /nfs/dbraw/zinc/23/95/10/307239510.db2.gz RNXDEQSFFAJDMG-JGPRNRPPSA-N 1 0 311.363 1.238 20 5 DDBDRO C[C@@H]1CC[C@@H](O)C[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000421021461 307300701 /nfs/dbraw/zinc/30/07/01/307300701.db2.gz OBYSYWSVYKWLTO-UPJWGTAASA-N 1 0 310.350 1.180 20 5 DDBDRO CC1(C)CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCS1 ZINC000434696155 307304555 /nfs/dbraw/zinc/30/45/55/307304555.db2.gz XBGHLPRKAPFRHF-GFCCVEGCSA-N 1 0 314.411 1.370 20 5 DDBDRO O=C(NCCCCC[NH+]1CCCC1)c1ccc([N+](=O)[O-])cn1 ZINC000518595541 307444036 /nfs/dbraw/zinc/44/40/36/307444036.db2.gz WDMKDOMDXGBKLG-UHFFFAOYSA-N 1 0 306.366 1.986 20 5 DDBDRO C[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[NH+]1CCCC1 ZINC000548042527 307755538 /nfs/dbraw/zinc/75/55/38/307755538.db2.gz OINSFVXXMDWMAU-LLVKDONJSA-N 1 0 313.379 1.357 20 5 DDBDRO Cc1nc(N2CCC[C@H]([NH+]3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000563423500 307970297 /nfs/dbraw/zinc/97/02/97/307970297.db2.gz MMIZWBRUCDBRDX-AWEZNQCLSA-N 1 0 320.393 1.989 20 5 DDBDRO CO[C@@H]1CC[C@@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000564442309 307996977 /nfs/dbraw/zinc/99/69/77/307996977.db2.gz DSLOVBQAEAAWDT-FRRDWIJNSA-N 1 0 310.350 1.492 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CC2CC(F)(F)C2)c1 ZINC000568503343 308120457 /nfs/dbraw/zinc/12/04/57/308120457.db2.gz RWKKZXUUYSLFBI-GFCCVEGCSA-N 1 0 316.304 1.969 20 5 DDBDRO CC[C@@H]1C[C@@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000572149683 308213287 /nfs/dbraw/zinc/21/32/87/308213287.db2.gz OTQAJVGAFSSZMN-AEGPPILISA-N 1 0 324.377 1.882 20 5 DDBDRO COc1cc(OCc2nc(C(C)(C)[NH3+])no2)ccc1[N+](=O)[O-] ZINC000576462371 308316164 /nfs/dbraw/zinc/31/61/64/308316164.db2.gz ZEXRJZWEIJTEGJ-UHFFFAOYSA-N 1 0 308.294 1.759 20 5 DDBDRO COc1ccc(CNC(=O)N[C@@H](C)C[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000576872355 308345679 /nfs/dbraw/zinc/34/56/79/308345679.db2.gz ZOCHBJTYTLTYLI-UWVGGRQHSA-N 1 0 310.354 1.528 20 5 DDBDRO CC(C)[NH2+]C1(CO)CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000576955178 308352424 /nfs/dbraw/zinc/35/24/24/308352424.db2.gz ZWRFZDKYHQSMAM-UHFFFAOYSA-N 1 0 307.394 1.920 20 5 DDBDRO CC(C)(C[NH3+])NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000577634175 308404028 /nfs/dbraw/zinc/40/40/28/308404028.db2.gz DKGSQAXWZBVNGC-UHFFFAOYSA-N 1 0 320.393 1.665 20 5 DDBDRO [NH3+]CC[C@@H](NC(=O)NCc1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000578968206 308497466 /nfs/dbraw/zinc/49/74/66/308497466.db2.gz GHZRAPKYQLWCIB-SNVBAGLBSA-N 1 0 320.271 1.674 20 5 DDBDRO COC(=O)c1cc(NC(=O)N(C)CCC[NH3+])c(C)c([N+](=O)[O-])c1 ZINC000579812890 308558464 /nfs/dbraw/zinc/55/84/64/308558464.db2.gz QCHYTYRYTWUKLE-UHFFFAOYSA-N 1 0 324.337 1.502 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]Cc2ccc(C3CC3)cc2)c1 ZINC000580185830 308585850 /nfs/dbraw/zinc/58/58/50/308585850.db2.gz YABISZOZIAKNKU-MRXNPFEDSA-N 1 0 316.361 1.819 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H]1C[C@H](O)C1(C)C ZINC000581202011 308661896 /nfs/dbraw/zinc/66/18/96/308661896.db2.gz QGMCPNLCVCFLAX-KBPBESRZSA-N 1 0 321.377 1.981 20 5 DDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000582236496 325995382 /nfs/dbraw/zinc/99/53/82/325995382.db2.gz XUQBDHIOQAAZGA-MRXNPFEDSA-N 1 0 303.362 1.739 20 5 DDBDRO Cc1cc(S(=O)(=O)N(C)CCC[NH3+])c(C)cc1[N+](=O)[O-] ZINC000583642065 336013685 /nfs/dbraw/zinc/01/36/85/336013685.db2.gz NHEIQAHLCNZRBH-UHFFFAOYSA-N 1 0 301.368 1.181 20 5 DDBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000584579704 337367840 /nfs/dbraw/zinc/36/78/40/337367840.db2.gz DNVOAZJBGAQQEH-OCCSQVGLSA-N 1 0 304.350 1.488 20 5 DDBDRO CSC1(CNc2ncc([N+](=O)[O-])c(N)n2)CC[NH+](C)CC1 ZINC000357575423 484510154 /nfs/dbraw/zinc/51/01/54/484510154.db2.gz BZCFVWPGLWBYPE-UHFFFAOYSA-N 1 0 312.399 1.206 20 5 DDBDRO COC(=O)c1cc(C(=O)N[C@H]2CC[NH2+][C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000423621563 533743358 /nfs/dbraw/zinc/74/33/58/533743358.db2.gz KVBJLSAFTVOBIZ-SKDRFNHKSA-N 1 0 321.333 1.252 20 5 DDBDRO COC(=O)Cc1ccc(NCC2=CC[N@H+](C)CC2)c([N+](=O)[O-])c1 ZINC000294846192 533762464 /nfs/dbraw/zinc/76/24/64/533762464.db2.gz BVEDTASELDSGTQ-UHFFFAOYSA-N 1 0 319.361 1.984 20 5 DDBDRO COc1cc(CN2CC[C@@H]3C[NH2+]C[C@@H]32)c([N+](=O)[O-])cc1OC ZINC000414783062 533823054 /nfs/dbraw/zinc/82/30/54/533823054.db2.gz FTILIMUBIJZBQG-MFKMUULPSA-N 1 0 307.350 1.406 20 5 DDBDRO C[C@H]([NH2+]CCN1C(=O)NC(C)(C)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000296807668 533857817 /nfs/dbraw/zinc/85/78/17/533857817.db2.gz URBHHCUVPIWVAK-JTQLQIEISA-N 1 0 320.349 1.576 20 5 DDBDRO COC(=O)c1cc(NC(=O)[C@@H](C(C)C)[C@H](C)[NH3+])cc([N+](=O)[O-])c1 ZINC000422999043 533878246 /nfs/dbraw/zinc/87/82/46/533878246.db2.gz DNCPWVSBFSOHSK-ZANVPECISA-N 1 0 323.349 1.939 20 5 DDBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000331338430 534461518 /nfs/dbraw/zinc/46/15/18/534461518.db2.gz JMEIXTJWSHQKBG-CHWSQXEVSA-N 1 0 320.393 1.948 20 5 DDBDRO [NH3+]CC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(F)F ZINC000449608052 534650173 /nfs/dbraw/zinc/65/01/73/534650173.db2.gz DQJLBXJXJAFHFD-VIFPVBQESA-N 1 0 307.684 1.961 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000154398483 527312982 /nfs/dbraw/zinc/31/29/82/527312982.db2.gz DWVCBCMWPDXPEA-WFASDCNBSA-N 1 0 318.377 1.855 20 5 DDBDRO CC1(C)[NH2+]CC[C@H]1NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000449751449 527794051 /nfs/dbraw/zinc/79/40/51/527794051.db2.gz YOZZTMYXHXBQGB-GFCCVEGCSA-N 1 0 309.391 1.944 20 5 DDBDRO CC1(C)OCC[C@H]1[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000295218715 527811547 /nfs/dbraw/zinc/81/15/47/527811547.db2.gz MXRIYJCDWKSVCI-SMDDNHRTSA-N 1 0 310.350 1.492 20 5 DDBDRO CC(C)OC[C@H](CO)[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000433266842 528024584 /nfs/dbraw/zinc/02/45/84/528024584.db2.gz BRZGMOQSBOHKKF-ZDUSSCGKSA-N 1 0 312.366 1.691 20 5 DDBDRO CC[NH+](CC)CC[C@@H](CO)N=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1 ZINC000450505111 528165465 /nfs/dbraw/zinc/16/54/65/528165465.db2.gz XRBFGMOWNXCPKX-NSHDSACASA-N 1 0 321.381 1.398 20 5 DDBDRO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000424041668 529130268 /nfs/dbraw/zinc/13/02/68/529130268.db2.gz OIDMUKAAZPTHQG-AWEZNQCLSA-N 1 0 321.381 1.028 20 5 DDBDRO C[NH+]1CCC(CNc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 ZINC000736850050 598247045 /nfs/dbraw/zinc/24/70/45/598247045.db2.gz YKBGJSKILPBSTA-UHFFFAOYSA-N 1 0 317.353 1.529 20 5 DDBDRO CC[C@H](C)[N@H+](C)CCNc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000736328956 598420865 /nfs/dbraw/zinc/42/08/65/598420865.db2.gz ZMTWTQCFYGRWRP-JTQLQIEISA-N 1 0 319.369 1.917 20 5 DDBDRO COCCN1[C@H](C)CN(C(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000122066772 696718552 /nfs/dbraw/zinc/71/85/52/696718552.db2.gz IZNQUHMVMSVBDI-BETUJISGSA-N 1 0 321.377 1.776 20 5 DDBDRO C[NH2+]CCCNS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000123005694 696727633 /nfs/dbraw/zinc/72/76/33/696727633.db2.gz CBEIVSWDXGZARY-UHFFFAOYSA-N 1 0 321.786 1.444 20 5 DDBDRO CC(C)N1CC[C@@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000747815153 700087689 /nfs/dbraw/zinc/08/76/89/700087689.db2.gz GIZBCLYQPFHWNH-ZIAGYGMSSA-N 1 0 307.350 1.227 20 5 DDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CCC[N@H+](C/C=C/Cl)C2 ZINC000981764129 696907214 /nfs/dbraw/zinc/90/72/14/696907214.db2.gz NNMVCUKBWWYBLT-VNPHXJNISA-N 1 0 313.785 1.329 20 5 DDBDRO CON(C)C(=O)CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000799127760 700120852 /nfs/dbraw/zinc/12/08/52/700120852.db2.gz XOAQNYNWGDHGCJ-UHFFFAOYSA-N 1 0 307.350 1.969 20 5 DDBDRO Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1 ZINC000981137609 697015465 /nfs/dbraw/zinc/01/54/65/697015465.db2.gz ZQNKAVJZOZFRME-HZPDHXFCSA-N 1 0 317.389 1.695 20 5 DDBDRO O=c1cc2c(n[nH]1)CC[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000775775774 698031187 /nfs/dbraw/zinc/03/11/87/698031187.db2.gz BDQWSCRYANIKJU-AWEZNQCLSA-N 1 0 316.317 1.182 20 5 DDBDRO C[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1(C(N)=O)CCCC1 ZINC000776593887 698124358 /nfs/dbraw/zinc/12/43/58/698124358.db2.gz PCJQCKGWYJGRCC-ZDUSSCGKSA-N 1 0 307.350 1.358 20 5 DDBDRO O=C1NCC2(CC[NH+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)CC2)O1 ZINC000781999852 698671402 /nfs/dbraw/zinc/67/14/02/698671402.db2.gz POQORCNYXAVADQ-ZDUSSCGKSA-N 1 0 321.333 1.203 20 5 DDBDRO O=C(C(F)F)N1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000989828234 698784684 /nfs/dbraw/zinc/78/46/84/698784684.db2.gz WFSITNSUHDWYSO-UHFFFAOYSA-N 1 0 313.304 1.941 20 5 DDBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000420394108 699139008 /nfs/dbraw/zinc/13/90/08/699139008.db2.gz ABSWVUFZSMHLKD-LRDDRELGSA-N 1 0 318.377 1.750 20 5 DDBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000424024466 699147441 /nfs/dbraw/zinc/14/74/41/699147441.db2.gz HMMNQFSODMVNEZ-INIZCTEOSA-N 1 0 303.362 1.882 20 5 DDBDRO C[NH+](C)C[C@@H](O)CNc1ncc([N+](=O)[O-])cc1Br ZINC000717401123 699288471 /nfs/dbraw/zinc/28/84/71/699288471.db2.gz IBMHXWFHXSDMMM-QMMMGPOBSA-N 1 0 319.159 1.087 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](C2OCCO2)C1 ZINC000718986440 699296426 /nfs/dbraw/zinc/29/64/26/699296426.db2.gz DPZVHBFHZLAXJP-NSHDSACASA-N 1 0 308.334 1.798 20 5 DDBDRO CC1(C)CC[NH2+]CCN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000725372930 699331446 /nfs/dbraw/zinc/33/14/46/699331446.db2.gz COGXJHZTJWXZIK-UHFFFAOYSA-N 1 0 313.379 1.357 20 5 DDBDRO Cc1c(C[N@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)cnn1C ZINC000790453191 699461467 /nfs/dbraw/zinc/46/14/67/699461467.db2.gz QBNQBNQYZDONHU-HNNXBMFYSA-N 1 0 304.350 1.802 20 5 DDBDRO CC(C)(CO)[NH+]1CCN(Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000735869623 699707530 /nfs/dbraw/zinc/70/75/30/699707530.db2.gz CUVDGXDCJGPZEL-UHFFFAOYSA-N 1 0 311.357 1.622 20 5 DDBDRO O=c1oc2cccc([N+](=O)[O-])c2n1CN1CC[NH+](C2CC2)CC1 ZINC000794624266 699819456 /nfs/dbraw/zinc/81/94/56/699819456.db2.gz UEVZKZKYNNXMBS-UHFFFAOYSA-N 1 0 318.333 1.240 20 5 DDBDRO CCN(C[C@@H]1CCOC1)Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000794632457 699820105 /nfs/dbraw/zinc/82/01/05/699820105.db2.gz PJIBAODOCUFDTM-NSHDSACASA-N 1 0 321.333 1.819 20 5 DDBDRO C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CC[N@@H+]1C ZINC000741721813 699848993 /nfs/dbraw/zinc/84/89/93/699848993.db2.gz CQUXNWNRGOJRKG-VXGBXAGGSA-N 1 0 320.393 1.873 20 5 DDBDRO COc1c(C(=O)NCC[N@@H+]2CCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000795271000 699855018 /nfs/dbraw/zinc/85/50/18/699855018.db2.gz PNFDDHCXADJCES-NSHDSACASA-N 1 0 307.350 1.818 20 5 DDBDRO CNC(=O)c1ccc(NCC[N@@H+]2CCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000742426786 699878452 /nfs/dbraw/zinc/87/84/52/699878452.db2.gz BTQHBMNPBDZRIT-NSHDSACASA-N 1 0 306.366 1.851 20 5 DDBDRO CC[NH+]1CCC(CNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1 ZINC000801837214 700344090 /nfs/dbraw/zinc/34/40/90/700344090.db2.gz BZKWUNBLCTUDDS-UHFFFAOYSA-N 1 0 324.356 1.778 20 5 DDBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000801902832 700351666 /nfs/dbraw/zinc/35/16/66/700351666.db2.gz KHVPYZPFEOGGCR-SNVBAGLBSA-N 1 0 324.356 1.920 20 5 DDBDRO C[N@@H+]1CCC[C@@H](NC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)C1 ZINC000757035754 700653240 /nfs/dbraw/zinc/65/32/40/700653240.db2.gz UWIAGKVHZKLKTI-CYBMUJFWSA-N 1 0 318.377 1.757 20 5 DDBDRO O=[N+]([O-])c1ccc2nc(N3CCC([NH2+]CCO)CC3)sc2c1 ZINC000762182407 700883999 /nfs/dbraw/zinc/88/39/99/700883999.db2.gz AMOPWFKDZJDQDN-UHFFFAOYSA-N 1 0 322.390 1.755 20 5 DDBDRO C[NH+]1CCC2(CCN2C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000770542789 701282912 /nfs/dbraw/zinc/28/29/12/701282912.db2.gz AUEURLIFBWDNEJ-UHFFFAOYSA-N 1 0 306.322 1.006 20 5 DDBDRO CC[N@@H+]1CC[C@H]1CNC(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000879145357 706598741 /nfs/dbraw/zinc/59/87/41/706598741.db2.gz TXQNPXWWKXTHHE-NSHDSACASA-N 1 0 308.338 1.819 20 5 DDBDRO C[NH+](C)C[C@H](NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000839762522 701814690 /nfs/dbraw/zinc/81/46/90/701814690.db2.gz YLIRMBPOHCKXKX-FRRDWIJNSA-N 1 0 311.769 1.724 20 5 DDBDRO C[C@@H](NC(=O)CCOc1ccccc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000868005015 701886640 /nfs/dbraw/zinc/88/66/40/701886640.db2.gz JHZDGGMBROPMKQ-GFCCVEGCSA-N 1 0 321.377 1.868 20 5 DDBDRO C[C@@H]([NH2+]CCN1CCO[C@@H](C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815575903 701898790 /nfs/dbraw/zinc/89/87/90/701898790.db2.gz DVCNVURCEVATPI-NWDGAFQWSA-N 1 0 308.382 1.548 20 5 DDBDRO C[C@](CO)([NH2+]CC[C@@H]1COC(C)(C)O1)c1cccc([N+](=O)[O-])c1 ZINC000879271084 706636088 /nfs/dbraw/zinc/63/60/88/706636088.db2.gz CXXQIIJIAHJCCC-GDBMZVCRSA-N 1 0 324.377 1.934 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(c3ccc([N+](=O)[O-])c4nonc43)CC[C@@H]21 ZINC000866207007 706648403 /nfs/dbraw/zinc/64/84/03/706648403.db2.gz NUVVZLLYSJTWOX-ZJUUUORDSA-N 1 0 303.322 1.661 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)c1 ZINC000866210125 706649567 /nfs/dbraw/zinc/64/95/67/706649567.db2.gz YFGYRTVUFHDXIL-CHWSQXEVSA-N 1 0 319.361 1.912 20 5 DDBDRO COCCNC(=O)C1([NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000840824894 702251470 /nfs/dbraw/zinc/25/14/70/702251470.db2.gz RLNCLPCDRAFSBQ-SNVBAGLBSA-N 1 0 322.365 1.123 20 5 DDBDRO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000841010836 702308996 /nfs/dbraw/zinc/30/89/96/702308996.db2.gz IYWSUSQNFAMJRP-DTORHVGOSA-N 1 0 310.741 1.931 20 5 DDBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCCn1cncn1 ZINC000866318564 706672177 /nfs/dbraw/zinc/67/21/77/706672177.db2.gz BRGZWBOACHKLIN-NSHDSACASA-N 1 0 307.329 1.936 20 5 DDBDRO [NH3+]C[C@@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C1CCCC1 ZINC000818001856 702549242 /nfs/dbraw/zinc/54/92/42/702549242.db2.gz SDALEKUAPWOYST-CYBMUJFWSA-N 1 0 322.321 1.750 20 5 DDBDRO CC1(C)C[NH2+]CCN1C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000818524135 702658394 /nfs/dbraw/zinc/65/83/94/702658394.db2.gz COZCSBBJDAVPLM-UHFFFAOYSA-N 1 0 317.349 1.155 20 5 DDBDRO Cc1c(C(=O)N2CC[NH2+]CC2(C)C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000818524082 702658486 /nfs/dbraw/zinc/65/84/86/702658486.db2.gz AMDUYDOIFYAXKK-UHFFFAOYSA-N 1 0 322.321 1.635 20 5 DDBDRO [NH3+]C1(c2noc(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2)CCC1 ZINC000842618713 702743234 /nfs/dbraw/zinc/74/32/34/702743234.db2.gz XRUDJZPVVKYBGL-UHFFFAOYSA-N 1 0 305.250 1.891 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2C[C@H](C)[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC000843455381 702885480 /nfs/dbraw/zinc/88/54/80/702885480.db2.gz NOPPKFNIIJHILP-DTWKUNHWSA-N 1 0 322.321 1.634 20 5 DDBDRO [NH3+]CCCCCCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000843505499 702896626 /nfs/dbraw/zinc/89/66/26/702896626.db2.gz AZUIQTJHEZEWPS-UHFFFAOYSA-N 1 0 309.322 1.572 20 5 DDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000843514690 702898141 /nfs/dbraw/zinc/89/81/41/702898141.db2.gz SXADXHJRQUFBRC-CYBMUJFWSA-N 1 0 304.350 1.582 20 5 DDBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000843868965 702935868 /nfs/dbraw/zinc/93/58/68/702935868.db2.gz PKSAARVGEWIBPL-PHIMTYICSA-N 1 0 307.325 1.676 20 5 DDBDRO CC[C@H](CO)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000844257254 703001545 /nfs/dbraw/zinc/00/15/45/703001545.db2.gz XEQFBZDBHDXYJW-SNVBAGLBSA-N 1 0 311.338 1.293 20 5 DDBDRO Cc1nc([N+](=O)[O-])c(-c2noc([C@H]3CC[C@@H](C4CC4)[NH2+]3)n2)n1C ZINC000844915019 703084475 /nfs/dbraw/zinc/08/44/75/703084475.db2.gz BEAKUTVJHJQWBP-VHSXEESVSA-N 1 0 318.337 1.890 20 5 DDBDRO Cc1noc(CN2CCC([NH+]3CCN(C)CC3)CC2)c1[N+](=O)[O-] ZINC000879595300 706732044 /nfs/dbraw/zinc/73/20/44/706732044.db2.gz XZJCHMJTYOWDBT-UHFFFAOYSA-N 1 0 323.397 1.103 20 5 DDBDRO Cn1ccnc1[C@H]1CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000846835479 703339355 /nfs/dbraw/zinc/33/93/55/703339355.db2.gz BNPNHWSHEGRTGA-ZFWWWQNUSA-N 1 0 316.361 1.851 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000848439578 703550689 /nfs/dbraw/zinc/55/06/89/703550689.db2.gz SBIHNUGEIQIRPC-SNVBAGLBSA-N 1 0 320.271 1.280 20 5 DDBDRO C[C@@H](CNC(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000848580632 703565192 /nfs/dbraw/zinc/56/51/92/703565192.db2.gz CBRQNIIDNCJIKW-VIFPVBQESA-N 1 0 317.292 1.633 20 5 DDBDRO CNc1nccc(C(=O)OCCC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000848791310 703589914 /nfs/dbraw/zinc/58/99/14/703589914.db2.gz XGJRJTFZXUGSNE-UHFFFAOYSA-N 1 0 308.338 1.674 20 5 DDBDRO CCO[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1C)C[NH+](C)C ZINC000831777011 706777837 /nfs/dbraw/zinc/77/78/37/706777837.db2.gz ORYSEGYVBDDCTI-GFCCVEGCSA-N 1 0 309.366 1.600 20 5 DDBDRO C[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H](C)N1CCOCC1 ZINC000819019830 704053050 /nfs/dbraw/zinc/05/30/50/704053050.db2.gz CXJCRDNFOZAUAA-XEZPLFJOSA-N 1 0 323.393 1.327 20 5 DDBDRO CN(C)c1nccc(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC000819209839 704087153 /nfs/dbraw/zinc/08/71/53/704087153.db2.gz MSDJHTHZKXRPAE-CQSZACIVSA-N 1 0 317.349 1.274 20 5 DDBDRO C[S@](=O)C1(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CCC1 ZINC000819286443 704101286 /nfs/dbraw/zinc/10/12/86/704101286.db2.gz OFXWKMNTEINTQK-ZSEKCTLFSA-N 1 0 312.391 1.519 20 5 DDBDRO Cc1ccc([C@H](C)NC(=O)C2=NO[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000852852659 704148395 /nfs/dbraw/zinc/14/83/95/704148395.db2.gz DTCXADNNIQJEBN-GXSJLCMTSA-N 1 0 306.322 1.184 20 5 DDBDRO CC(C)[C@H]([NH3+])CCNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000852866862 704153825 /nfs/dbraw/zinc/15/38/25/704153825.db2.gz MTGILZDFKHWNNI-CYBMUJFWSA-N 1 0 319.365 1.434 20 5 DDBDRO O=C(C=C1CC[NH2+]CC1)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000852884202 704160124 /nfs/dbraw/zinc/16/01/24/704160124.db2.gz VLIDFPBTPBIQOV-UHFFFAOYSA-N 1 0 301.306 1.719 20 5 DDBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000870969200 704185433 /nfs/dbraw/zinc/18/54/33/704185433.db2.gz BOFWBEQXBMKHJP-GMTAPVOTSA-N 1 0 309.391 1.929 20 5 DDBDRO C[NH+](C)C[C@H]1CCCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000853245049 704223991 /nfs/dbraw/zinc/22/39/91/704223991.db2.gz QMZAYERHQIOIGP-LLVKDONJSA-N 1 0 306.366 1.472 20 5 DDBDRO O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)c1 ZINC000866825332 706815978 /nfs/dbraw/zinc/81/59/78/706815978.db2.gz PTUFHRYCHGHTKF-QWHCGFSZSA-N 1 0 311.363 1.110 20 5 DDBDRO [NH3+][C@@H]1CCN(C(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)C1 ZINC000857763248 704621570 /nfs/dbraw/zinc/62/15/70/704621570.db2.gz RWTKQAAPWMJTPD-MRVPVSSYSA-N 1 0 301.249 1.126 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000874457158 705074163 /nfs/dbraw/zinc/07/41/63/705074163.db2.gz HVVDXIASOJPFGI-ZDUSSCGKSA-N 1 0 320.393 1.187 20 5 DDBDRO CC[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000824002749 705352577 /nfs/dbraw/zinc/35/25/77/705352577.db2.gz HAMAOQHRSSAJGL-SNVBAGLBSA-N 1 0 307.354 1.640 20 5 DDBDRO C[NH+](C)C1CCN(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000824003003 705353322 /nfs/dbraw/zinc/35/33/22/705353322.db2.gz LDLRUINIBNMKCK-UHFFFAOYSA-N 1 0 307.354 1.735 20 5 DDBDRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825099413 705599256 /nfs/dbraw/zinc/59/92/56/705599256.db2.gz ZCLTXVLJADWJHE-IUODEOHRSA-N 1 0 321.377 1.619 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@H]1C[C@H]([NH+](C)C)C12CCC2 ZINC000825527931 705687630 /nfs/dbraw/zinc/68/76/30/705687630.db2.gz UPRSDUWCTDXDAC-RYUDHWBXSA-N 1 0 321.381 1.089 20 5 DDBDRO CN(CC1CC[NH+](C)CC1)C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825703064 705717919 /nfs/dbraw/zinc/71/79/19/705717919.db2.gz IFAGMGICISSABE-OAHLLOKOSA-N 1 0 321.377 1.428 20 5 DDBDRO CC[N@H+](CCNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000825895019 705742610 /nfs/dbraw/zinc/74/26/10/705742610.db2.gz AMSTWBDWQLGTEI-CQSZACIVSA-N 1 0 309.366 1.475 20 5 DDBDRO O=C(/C=C\[C@H]1CCC[NH2+]C1)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000876658521 705805891 /nfs/dbraw/zinc/80/58/91/705805891.db2.gz YCAIOOBIZBQPBI-UJYKQDJBSA-N 1 0 319.361 1.646 20 5 DDBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000827035608 705915997 /nfs/dbraw/zinc/91/59/97/705915997.db2.gz RPHTYFSOPSWULA-VCTAVGKDSA-N 1 0 319.361 1.227 20 5 DDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@H](O)c3ccccc3F)C2)c1 ZINC000876958669 705938871 /nfs/dbraw/zinc/93/88/71/705938871.db2.gz AIRAXEZTLVCRAX-NWHVRFAMSA-N 1 0 320.324 1.957 20 5 DDBDRO C[C@@H](Cc1cnccn1)[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000876975328 705945498 /nfs/dbraw/zinc/94/54/98/705945498.db2.gz CUZNFTLGVNWDKA-ZBOXLXRLSA-N 1 0 302.338 1.506 20 5 DDBDRO Nc1ccc(-c2noc([C@H](F)[C@H]3CC[NH2+]C3)n2)cc1[N+](=O)[O-] ZINC000863658022 705978420 /nfs/dbraw/zinc/97/84/20/705978420.db2.gz INQVNBGECCNZIX-GZMMTYOYSA-N 1 0 307.285 1.847 20 5 DDBDRO CC(C)(CCC(=O)NCCCC[N@@H+]1CCC[C@H]1CO)[N+](=O)[O-] ZINC000827349186 705983043 /nfs/dbraw/zinc/98/30/43/705983043.db2.gz HTEWMFFJSDEHHL-ZDUSSCGKSA-N 1 0 315.414 1.175 20 5 DDBDRO CC[C@@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)[C@@H](O)C(F)(F)F ZINC000877125838 705991528 /nfs/dbraw/zinc/99/15/28/705991528.db2.gz AYYPUJAEINSJMR-PKRIEVTBSA-N 1 0 322.287 1.786 20 5 DDBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877286706 706048881 /nfs/dbraw/zinc/04/88/81/706048881.db2.gz GPYKUZUSLKOIOM-QKNOVVFDSA-N 1 0 301.346 1.961 20 5 DDBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877285650 706049056 /nfs/dbraw/zinc/04/90/56/706049056.db2.gz WIMAONBKYJXQBK-STQMWFEESA-N 1 0 319.361 1.717 20 5 DDBDRO O=C(COc1ccccc1[N+](=O)[O-])N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000877400893 706096807 /nfs/dbraw/zinc/09/68/07/706096807.db2.gz XZWFUGCDOLKJTF-DZGCQCFKSA-N 1 0 305.334 1.374 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1CN1CC[N@H+](CCO)[C@@H](C)C1 ZINC000877438394 706107720 /nfs/dbraw/zinc/10/77/20/706107720.db2.gz NLMVRBPRUGEUHM-ZDUSSCGKSA-N 1 0 307.394 1.710 20 5 DDBDRO CC[N@@H+]1C[C@H](C)N(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000828095280 706117317 /nfs/dbraw/zinc/11/73/17/706117317.db2.gz LWXFGHNKNAAQTN-HUBLWGQQSA-N 1 0 321.377 1.569 20 5 DDBDRO O=[N+]([O-])c1cccc([N+](=O)[O-])c1NC[C@H]1CCC[N@H+]1CCCO ZINC000828421710 706176439 /nfs/dbraw/zinc/17/64/39/706176439.db2.gz LZIKCMNPTRKKFJ-LLVKDONJSA-N 1 0 324.337 1.762 20 5 DDBDRO COC(=O)CN1CCC([NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000877827917 706225600 /nfs/dbraw/zinc/22/56/00/706225600.db2.gz ZXRZZYNXMKHCNX-LBPRGKRZSA-N 1 0 321.377 1.883 20 5 DDBDRO O=[N+]([O-])c1ccccc1-c1nnc(CN2C[C@H]3C[NH2+]C[C@H]3C2)o1 ZINC000877982288 706257783 /nfs/dbraw/zinc/25/77/83/706257783.db2.gz ODVZEJXFQBMPQY-PHIMTYICSA-N 1 0 315.333 1.296 20 5 DDBDRO CC[N@@H+]1CC[C@H](CNC(=O)Cc2cccc(F)c2[N+](=O)[O-])C1 ZINC000864963337 706313468 /nfs/dbraw/zinc/31/34/68/706313468.db2.gz USCOMQGAUKLGRB-LLVKDONJSA-N 1 0 309.341 1.734 20 5 DDBDRO C[C@@H]1[C@H](NC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000830110205 706456318 /nfs/dbraw/zinc/45/63/18/706456318.db2.gz BQSDJGYEUARYBU-AQNFWKISSA-N 1 0 303.362 1.907 20 5 DDBDRO COC(=O)[C@]12CCC[C@H]1[N@H+](Cc1onc(C)c1[N+](=O)[O-])CC2 ZINC000880184712 706904673 /nfs/dbraw/zinc/90/46/73/706904673.db2.gz QGLAQTWPZDPIBS-RISCZKNCSA-N 1 0 309.322 1.809 20 5 DDBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000867307883 706954818 /nfs/dbraw/zinc/95/48/18/706954818.db2.gz DQPLNOAVOBHSPB-SCZZXKLOSA-N 1 0 319.408 1.369 20 5 DDBDRO CC[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@H](CO)c1ccccc1 ZINC000880460705 706981854 /nfs/dbraw/zinc/98/18/54/706981854.db2.gz BNSOSEYWAZWBGQ-OAHLLOKOSA-N 1 0 304.350 1.847 20 5 DDBDRO Cc1c(C(=O)N[C@H](C)[C@H](C)[NH3+])cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000834821136 707129440 /nfs/dbraw/zinc/12/94/40/707129440.db2.gz KTBYEAMSVYRAHC-DTWKUNHWSA-N 1 0 310.310 1.585 20 5 DDBDRO O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1NCC[NH+]1CCC1 ZINC000882126935 707509206 /nfs/dbraw/zinc/50/92/06/707509206.db2.gz IOTHOENQRZNPAS-UHFFFAOYSA-N 1 0 304.350 1.605 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H](C)S(C)(=O)=O ZINC000873096093 707729030 /nfs/dbraw/zinc/72/90/30/707729030.db2.gz UOLDXQKFYMGDFR-JTQLQIEISA-N 1 0 300.380 1.734 20 5 DDBDRO O=[N+]([O-])c1cccnc1N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000882724868 707761941 /nfs/dbraw/zinc/76/19/41/707761941.db2.gz DWDUEFDRJPEARA-CYBMUJFWSA-N 1 0 306.366 1.727 20 5 DDBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000883079648 707920533 /nfs/dbraw/zinc/92/05/33/707920533.db2.gz ZBKVSNPIIUJTNU-GFCCVEGCSA-N 1 0 321.381 1.400 20 5 DDBDRO COC(=O)CC1([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCC1 ZINC000838918112 708003081 /nfs/dbraw/zinc/00/30/81/708003081.db2.gz ADLNNEPQJWCKNC-CYBMUJFWSA-N 1 0 308.334 1.704 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)n1 ZINC000897221940 708259334 /nfs/dbraw/zinc/25/93/34/708259334.db2.gz QOMCJTZXKNQCEC-OLZOCXBDSA-N 1 0 306.366 1.334 20 5 DDBDRO Cn1nc(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)cc1C1CC1 ZINC000897230141 708262850 /nfs/dbraw/zinc/26/28/50/708262850.db2.gz FKTVFXQCGPHRHW-UHFFFAOYSA-N 1 0 316.365 1.896 20 5 DDBDRO C[C@@H](C[NH2+][C@H]1CCCS(=O)(=O)C1)c1ccccc1[N+](=O)[O-] ZINC000897463969 708339812 /nfs/dbraw/zinc/33/98/12/708339812.db2.gz DKPKORRPFJNYHW-RYUDHWBXSA-N 1 0 312.391 1.865 20 5 DDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]CC3(C4(O)CCC4)CC3)C2)c1 ZINC000897525770 708362597 /nfs/dbraw/zinc/36/25/97/708362597.db2.gz UQSHQFLIKBXLGV-UHFFFAOYSA-N 1 0 306.366 1.780 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](CO)C[NH+]2CCCC2)c1C ZINC000897766613 708443613 /nfs/dbraw/zinc/44/36/13/708443613.db2.gz QIMVBKHVCOIRKR-ZDUSSCGKSA-N 1 0 321.377 1.398 20 5 DDBDRO CCNC(=O)C[C@H]1CCCC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886193736 708712298 /nfs/dbraw/zinc/71/22/98/708712298.db2.gz BEAYUAXAQMBYDC-CYBMUJFWSA-N 1 0 306.366 1.871 20 5 DDBDRO C[C@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000912651655 713060890 /nfs/dbraw/zinc/06/08/90/713060890.db2.gz XQYLJZKSJJCBME-WDEREUQCSA-N 1 0 309.370 1.653 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000887928170 709167699 /nfs/dbraw/zinc/16/76/99/709167699.db2.gz YMFJLRZHJZVLTJ-MEDUHNTESA-N 1 0 319.361 1.627 20 5 DDBDRO C[C@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000912814182 713098976 /nfs/dbraw/zinc/09/89/76/713098976.db2.gz TUNDFIFBOJLZSO-OCCSQVGLSA-N 1 0 323.397 1.370 20 5 DDBDRO C[N@@H+]1CCC[C@](O)(CC(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000901233409 709978295 /nfs/dbraw/zinc/97/82/95/709978295.db2.gz LENXNTUYDMSWDY-INIZCTEOSA-N 1 0 321.377 1.100 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000891346536 710166911 /nfs/dbraw/zinc/16/69/11/710166911.db2.gz YRESJGTUXRFOAD-CYBMUJFWSA-N 1 0 313.333 1.479 20 5 DDBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000891447814 710204386 /nfs/dbraw/zinc/20/43/86/710204386.db2.gz XWMSZOBMVAXQEC-ZFWWWQNUSA-N 1 0 304.350 1.679 20 5 DDBDRO O=[N+]([O-])c1cnc2ccc(F)cc2c1N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000891929033 710330615 /nfs/dbraw/zinc/33/06/15/710330615.db2.gz KXHJVIQDQHZCHI-AOOOYVTPSA-N 1 0 302.309 1.938 20 5 DDBDRO Cc1ccc(CNC(=O)N(C)C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000892537489 710454040 /nfs/dbraw/zinc/45/40/40/710454040.db2.gz WFHFZHNWXQZDPS-UHFFFAOYSA-N 1 0 306.366 1.797 20 5 DDBDRO C[C@]1(NC(=O)Cc2ccc([N+](=O)[O-])cc2)C[NH+]2CCC1CC2 ZINC000892798892 710502036 /nfs/dbraw/zinc/50/20/36/710502036.db2.gz FWBWQLAEMIJTPT-INIZCTEOSA-N 1 0 303.362 1.738 20 5 DDBDRO CS[C@@H]1CN(c2ccc3nonc3c2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000893002896 710539666 /nfs/dbraw/zinc/53/96/66/710539666.db2.gz WOSXNUWBRNXENM-WDEREUQCSA-N 1 0 323.378 1.613 20 5 DDBDRO C[C@@H]1[C@H](NC(=O)CCNc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000928453867 713204099 /nfs/dbraw/zinc/20/40/99/713204099.db2.gz OWSUDWXEZYAJAP-VXGBXAGGSA-N 1 0 306.366 1.606 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC000928459939 713206190 /nfs/dbraw/zinc/20/61/90/713206190.db2.gz YJMPGQZVGIOOKA-OLZOCXBDSA-N 1 0 321.377 1.881 20 5 DDBDRO C[C@@H]1CN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000911795724 710995112 /nfs/dbraw/zinc/99/51/12/710995112.db2.gz KULZLMIWAYVOGC-PHIMTYICSA-N 1 0 309.341 1.875 20 5 DDBDRO C[C@](C[NH3+])(NC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000911803350 711001515 /nfs/dbraw/zinc/00/15/15/711001515.db2.gz QXHLGPWVOCVAOM-IJEWVQPXSA-N 1 0 303.362 1.942 20 5 DDBDRO COc1cc([C@H](C)[NH2+]CCNC(=O)C2CC2)cc([N+](=O)[O-])c1 ZINC000903057671 711018988 /nfs/dbraw/zinc/01/89/88/711018988.db2.gz KIAYBKLCXUMRLZ-JTQLQIEISA-N 1 0 307.350 1.780 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000911840217 711025891 /nfs/dbraw/zinc/02/58/91/711025891.db2.gz HXHGEZUVWITDAN-UHFFFAOYSA-N 1 0 321.381 1.090 20 5 DDBDRO COc1cc([C@H](C)[NH2+][C@@H](C)[C@H]2CN(C)CCO2)cc([N+](=O)[O-])c1 ZINC000903125516 711040677 /nfs/dbraw/zinc/04/06/77/711040677.db2.gz MTGSMMQRYZPQPD-MQIPJXDCSA-N 1 0 323.393 1.973 20 5 DDBDRO COc1cc([C@H](C)[NH2+][C@H](C)[C@H]2CN(C)CCO2)cc([N+](=O)[O-])c1 ZINC000903125513 711040838 /nfs/dbraw/zinc/04/08/38/711040838.db2.gz MTGSMMQRYZPQPD-HWWQOWPSSA-N 1 0 323.393 1.973 20 5 DDBDRO Cc1ccc(NC(=O)[C@H]2[NH2+]CC23CCOCC3)cc1[N+](=O)[O-] ZINC000911906399 711062403 /nfs/dbraw/zinc/06/24/03/711062403.db2.gz DJDMBGNMDBTRES-CYBMUJFWSA-N 1 0 305.334 1.610 20 5 DDBDRO Cc1ccc([C@@H](C)[NH2+]C[C@]2(CO)COCCN2C)cc1[N+](=O)[O-] ZINC000903285920 711089202 /nfs/dbraw/zinc/08/92/02/711089202.db2.gz WTZZCEKOIZQUEN-CJNGLKHVSA-N 1 0 323.393 1.247 20 5 DDBDRO [NH3+][C@@H]1CN(CCn2cc([N+](=O)[O-])cn2)CC[C@@H]1C(F)(F)F ZINC000903540063 711178908 /nfs/dbraw/zinc/17/89/08/711178908.db2.gz MEYFLMSUYCEWBX-VHSXEESVSA-N 1 0 307.276 1.003 20 5 DDBDRO CNc1ccc(C(=O)N[C@]2(C)C[NH+]3CCC2CC3)cc1[N+](=O)[O-] ZINC000912384336 711303758 /nfs/dbraw/zinc/30/37/58/711303758.db2.gz VIFRMHCQCSZIQG-MRXNPFEDSA-N 1 0 318.377 1.851 20 5 DDBDRO CC[NH+](CC)CCCn1nnc(-c2ccccc2[N+](=O)[O-])n1 ZINC000912458739 711337299 /nfs/dbraw/zinc/33/72/99/711337299.db2.gz KUOORNVRCMINDK-UHFFFAOYSA-N 1 0 304.354 1.980 20 5 DDBDRO COc1c(O)ccc(CN(C)C[C@@H]2CCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000894981424 711349447 /nfs/dbraw/zinc/34/94/47/711349447.db2.gz IFUVBUPBGVTVQW-LBPRGKRZSA-N 1 0 309.366 1.835 20 5 DDBDRO CC[N@H+]1[C@H](C)CN(c2nc(C(=O)OC)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000895101157 711412476 /nfs/dbraw/zinc/41/24/76/711412476.db2.gz ZXIOYRRWKZQJJM-PHIMTYICSA-N 1 0 322.365 1.695 20 5 DDBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC000895245595 711463331 /nfs/dbraw/zinc/46/33/31/711463331.db2.gz GOMIIKIAYJDLQL-JQWIXIFHSA-N 1 0 310.402 1.166 20 5 DDBDRO O=C1N(CC[NH2+]Cc2ccccc2[N+](=O)[O-])C[C@@H]2CCCCN12 ZINC000895344157 711490097 /nfs/dbraw/zinc/49/00/97/711490097.db2.gz UPOAOSPAKACDBP-AWEZNQCLSA-N 1 0 318.377 1.975 20 5 DDBDRO O=c1[nH]ccc(N[C@H]2CCC[N@@H+]3CCSC[C@H]23)c1[N+](=O)[O-] ZINC000895570433 711545574 /nfs/dbraw/zinc/54/55/74/711545574.db2.gz SYKVXOBFCDZVIF-GXSJLCMTSA-N 1 0 310.379 1.687 20 5 DDBDRO O=C(NC12CC[NH+](CC1)C2)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000913625127 713271095 /nfs/dbraw/zinc/27/10/95/713271095.db2.gz AYPSHLGSWYOYRZ-UHFFFAOYSA-N 1 0 316.361 1.747 20 5 DDBDRO Cc1c(C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCN2C)cccc1[N+](=O)[O-] ZINC000896580796 711758212 /nfs/dbraw/zinc/75/82/12/711758212.db2.gz IYKJTLDPURECNG-DOMZBBRYSA-N 1 0 320.393 1.267 20 5 DDBDRO CSc1cccc(C(=O)NC23CC[NH+](CC2)C3)c1[N+](=O)[O-] ZINC000913632918 713273040 /nfs/dbraw/zinc/27/30/40/713273040.db2.gz DMJGITFVUAEKQJ-UHFFFAOYSA-N 1 0 307.375 1.895 20 5 DDBDRO C[C@@H]1C[NH2+]C[C@H]1Cc1nc(Cc2ccccc2[N+](=O)[O-])no1 ZINC000904515996 711866502 /nfs/dbraw/zinc/86/65/02/711866502.db2.gz SYNBYAOAUPMYDK-ZYHUDNBSSA-N 1 0 302.334 1.967 20 5 DDBDRO CN1C[C@@H](CC[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1=O ZINC000905533479 712068071 /nfs/dbraw/zinc/06/80/71/712068071.db2.gz PYSXEGYJMJIDSM-FZMZJTMJSA-N 1 0 307.350 1.086 20 5 DDBDRO CC(C)O[C@@]1(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CCOC1 ZINC000905559004 712077352 /nfs/dbraw/zinc/07/73/52/712077352.db2.gz UBCZFMSQMRNUCV-JKSUJKDBSA-N 1 0 324.377 1.802 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCOC2CCOCC2)c1 ZINC000905609794 712094024 /nfs/dbraw/zinc/09/40/24/712094024.db2.gz PPFCPQHOHSXWTO-OAHLLOKOSA-N 1 0 310.350 1.413 20 5 DDBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@H](O)CCC2(O)CCC2)cc1 ZINC000905922604 712187358 /nfs/dbraw/zinc/18/73/58/712187358.db2.gz XIOFGKOMYPVEBO-OAHLLOKOSA-N 1 0 308.378 1.783 20 5 DDBDRO C[C@@H](C[NH+](C)C)NC(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC000908194957 712707210 /nfs/dbraw/zinc/70/72/10/712707210.db2.gz IDZLNDMWWOHVJV-JTQLQIEISA-N 1 0 323.349 1.436 20 5 DDBDRO COc1cc(C[NH2+][C@H]2COC[C@H]2C2CC2)c([N+](=O)[O-])cc1O ZINC000914432766 713395034 /nfs/dbraw/zinc/39/50/34/713395034.db2.gz DMKXZBDEWKXPKC-RYUDHWBXSA-N 1 0 308.334 1.824 20 5 DDBDRO Cc1n[nH]c(C(=O)N2[C@H](C)CCC[C@H]2CC[NH+](C)C)c1[N+](=O)[O-] ZINC000914444059 713396183 /nfs/dbraw/zinc/39/61/83/713396183.db2.gz OVIGKETXHXVVDD-PWSUYJOCSA-N 1 0 323.397 1.961 20 5 DDBDRO CC(C)(CO)[NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000916573036 713458684 /nfs/dbraw/zinc/45/86/84/713458684.db2.gz UOEJQSPQXFGQGI-UHFFFAOYSA-N 1 0 301.730 1.547 20 5 DDBDRO CC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)CC1 ZINC000916967829 713476279 /nfs/dbraw/zinc/47/62/79/713476279.db2.gz ZWWUYUAGGDAHOL-UHFFFAOYSA-N 1 0 318.377 1.629 20 5 DDBDRO C[C@@H]1CC[C@H](C(N)=O)[C@@H](C)[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000930915425 713957570 /nfs/dbraw/zinc/95/75/70/713957570.db2.gz KWSXGMHCKRNEFO-JMSVASOKSA-N 1 0 321.377 1.948 20 5 DDBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000931043576 713989345 /nfs/dbraw/zinc/98/93/45/713989345.db2.gz QQULNZKQEVDCKO-OCCSQVGLSA-N 1 0 320.393 1.948 20 5 DDBDRO C[C@@](CO)([NH2+]C[C@@H]1CCC2(COC2)O1)c1cccc([N+](=O)[O-])c1 ZINC000931468802 714104773 /nfs/dbraw/zinc/10/47/73/714104773.db2.gz FTCQXCMDLNPRGN-GJZGRUSLSA-N 1 0 322.361 1.340 20 5 DDBDRO COc1cc(C[NH2+]C[C@@H]2C=C[C@H]3C[C@@H]2CO3)c([N+](=O)[O-])cc1O ZINC000922724095 714128041 /nfs/dbraw/zinc/12/80/41/714128041.db2.gz RAQCCWKELFLIOC-UHTWSYAYSA-N 1 0 320.345 1.990 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)CN2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000923356463 714325277 /nfs/dbraw/zinc/32/52/77/714325277.db2.gz RXWSEKQORSHOLR-CVEARBPZSA-N 1 0 305.378 1.704 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC[C@@H]3[NH2+]CC[C@@H]32)c1 ZINC000923416840 714349288 /nfs/dbraw/zinc/34/92/88/714349288.db2.gz QOEWCOZVBBIBIG-KBMXLJTQSA-N 1 0 321.377 1.161 20 5 DDBDRO CCOC(=O)[C@H]1CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000932646848 714374605 /nfs/dbraw/zinc/37/46/05/714374605.db2.gz UTYMGRMWIGRXTA-JSGCOSHPSA-N 1 0 308.334 1.513 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@]23C[C@H]2COC32CCC2)cc1 ZINC000933389075 714579719 /nfs/dbraw/zinc/57/97/19/714579719.db2.gz OBOAKNQAGOAZOZ-DUVNUKRYSA-N 1 0 304.346 1.929 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@]12C[C@H]1COC21CCC1 ZINC000933390461 714580125 /nfs/dbraw/zinc/58/01/25/714580125.db2.gz OZPLISMSPJIBOH-XHDPSFHLSA-N 1 0 305.334 1.058 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H]2CCC[C@]2(C(N)=O)C1 ZINC000933757254 714665188 /nfs/dbraw/zinc/66/51/88/714665188.db2.gz MMLOVRYGUCOCSV-LRDDRELGSA-N 1 0 319.361 1.691 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@H]1CCOC12CCCCC2 ZINC000933870818 714688984 /nfs/dbraw/zinc/68/89/84/714688984.db2.gz DJJLZVQIPCCCSL-AWEZNQCLSA-N 1 0 321.377 1.838 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000935682041 715116748 /nfs/dbraw/zinc/11/67/48/715116748.db2.gz ZEGPQZOYZPHVSM-UHFFFAOYSA-N 1 0 321.381 1.090 20 5 DDBDRO O=[N+]([O-])c1ccc2ccc(N3CCN4CC[NH2+]C[C@H]4C3)nc2c1 ZINC001164399147 718832586 /nfs/dbraw/zinc/83/25/86/718832586.db2.gz OZXKNOJQYNJSJV-AWEZNQCLSA-N 1 0 313.361 1.237 20 5 DDBDRO C[N@@H+]1CCO[C@H]2CN(c3cnc4cc([N+](=O)[O-])ccc4n3)C[C@@H]21 ZINC001164669123 719379659 /nfs/dbraw/zinc/37/96/59/719379659.db2.gz QBKCUQXSDZXWPF-KBPBESRZSA-N 1 0 315.333 1.057 20 5 DDBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1)c1cn[nH]c1 ZINC001021863217 733625816 /nfs/dbraw/zinc/62/58/16/733625816.db2.gz ZNZIIJZOCGYFPU-PHIMTYICSA-N 1 0 321.362 1.430 20 5 DDBDRO C[C@H](Nc1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-])c1ccc(F)cn1 ZINC001167478870 734378943 /nfs/dbraw/zinc/37/89/43/734378943.db2.gz AJWMFAKLAQCJBV-QMMMGPOBSA-N 1 0 318.312 1.779 20 5 DDBDRO C[NH+](C)CCOc1cc(N[C@H]2C[C@@H](CO)C2)ccc1[N+](=O)[O-] ZINC001168247236 741845223 /nfs/dbraw/zinc/84/52/23/741845223.db2.gz OIGNOFWMCUKNEJ-BJHJDKERSA-N 1 0 309.366 1.718 20 5 DDBDRO O=[N+]([O-])c1cnc2cccc(NCC[NH+]3CCSCC3)n21 ZINC001167839391 739001079 /nfs/dbraw/zinc/00/10/79/739001079.db2.gz MYAHYLWPOQGIOR-UHFFFAOYSA-N 1 0 307.379 1.703 20 5 DDBDRO O=C(NCCNc1ccc([N+](=O)[O-])cc1)[C@@]12CC[N@H+](C1)CCC2 ZINC000895488237 740797596 /nfs/dbraw/zinc/79/75/96/740797596.db2.gz WKSZZZMKHGJVNM-INIZCTEOSA-N 1 0 318.377 1.609 20 5 DDBDRO Cc1cc(NCCN(C)C(=O)CC[NH+](C)C)ncc1[N+](=O)[O-] ZINC001101926898 742029309 /nfs/dbraw/zinc/02/93/09/742029309.db2.gz DIWQZIWFWJWOHE-UHFFFAOYSA-N 1 0 309.370 1.120 20 5 DDBDRO Cc1ncsc1C[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001002784109 743426388 /nfs/dbraw/zinc/42/63/88/743426388.db2.gz YQRMUQVUKWHKKS-VXGBXAGGSA-N 1 0 324.406 1.197 20 5 DDBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1C[C@H](CO)[C@@H](CCO)C1 ZINC001184364206 744019665 /nfs/dbraw/zinc/01/96/65/744019665.db2.gz OOJSGTIPHGIZPV-XGFUNVHXSA-N 1 0 320.389 1.921 20 5 DDBDRO NC(=O)c1ccc(C[N@@H+]2CC[C@H](O)CC23CCC3)c([N+](=O)[O-])c1 ZINC001195305569 746572245 /nfs/dbraw/zinc/57/22/45/746572245.db2.gz DGUPGQGKQVRKTK-ZDUSSCGKSA-N 1 0 319.361 1.573 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCC(c3ncco3)CC2)c1 ZINC001196788531 746961705 /nfs/dbraw/zinc/96/17/05/746961705.db2.gz CILFAPZGRICWIB-CYBMUJFWSA-N 1 0 321.337 1.020 20 5 DDBDRO CNC(=O)N[C@@H]1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC001197759197 747248447 /nfs/dbraw/zinc/24/84/47/747248447.db2.gz OTLFCZBNPTZINZ-GFCCVEGCSA-N 1 0 322.365 1.367 20 5 DDBDRO Cc1nc(N2CCC([NH+]3CCN(C)CC3)CC2)ccc1[N+](=O)[O-] ZINC000866212865 749158961 /nfs/dbraw/zinc/15/89/61/749158961.db2.gz JXBTXBIRACOQQG-UHFFFAOYSA-N 1 0 319.409 1.514 20 5 DDBDRO C[NH+](C)CCC(=O)NC/C=C\CNc1ccc(F)cc1[N+](=O)[O-] ZINC001107490063 750045743 /nfs/dbraw/zinc/04/57/43/750045743.db2.gz QUUBKOLVBZHTBZ-ARJAWSKDSA-N 1 0 324.356 1.770 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[C@@H]3c3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC001129080700 751247098 /nfs/dbraw/zinc/24/70/98/751247098.db2.gz VGECPZAUWXQULS-OJLVUWQFSA-N 1 0 315.373 1.861 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CC2(c3cnccn3)CCOCC2)C1 ZINC001168991973 762165475 /nfs/dbraw/zinc/16/54/75/762165475.db2.gz IONGPHWASFGSJA-ZIAGYGMSSA-N 1 0 320.393 1.560 20 5 DDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2cn(CC(F)(F)F)cn2)C1 ZINC001168998277 762170576 /nfs/dbraw/zinc/17/05/76/762170576.db2.gz KTHYMDCNTVELMY-VHSXEESVSA-N 1 0 306.288 1.980 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@H]2CCCN(c3ncccn3)C2)C1 ZINC001168999786 762171938 /nfs/dbraw/zinc/17/19/38/762171938.db2.gz VRKWZQGORYLOGB-MCIONIFRSA-N 1 0 305.382 1.480 20 5 DDBDRO CN(C(=O)OC(C)(C)C)C1C[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169008183 762176780 /nfs/dbraw/zinc/17/67/80/762176780.db2.gz RQIOUSNGYQHUKJ-RYUDHWBXSA-N 1 0 313.398 1.983 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C[C@@]2(O)CCOc3ccccc32)C1 ZINC001168986827 762179414 /nfs/dbraw/zinc/17/94/14/762179414.db2.gz ZUJZGKKECMNNDA-IOASZLSFSA-N 1 0 306.362 1.692 20 5 DDBDRO COc1cccc(C[C@H](CO)[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001168986800 762179746 /nfs/dbraw/zinc/17/97/46/762179746.db2.gz ZQNZYHAXIAHTBS-RRFJBIMHSA-N 1 0 308.378 1.634 20 5 DDBDRO CCOC(=O)c1ccc(-n2c(C)cnc2C[NH3+])c([N+](=O)[O-])c1 ZINC001169029925 762186495 /nfs/dbraw/zinc/18/64/95/762186495.db2.gz YRVXQLXKBQAKDG-UHFFFAOYSA-N 1 0 304.306 1.724 20 5 DDBDRO O=C(N[C@@H]1CCC[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1)C1CCC1 ZINC001169057439 762210630 /nfs/dbraw/zinc/21/06/30/762210630.db2.gz VIOXNHDUPCBKPX-CFVMTHIKSA-N 1 0 309.410 1.813 20 5 DDBDRO COc1cnc(N2CC[NH+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)nc1 ZINC001169057686 762211310 /nfs/dbraw/zinc/21/13/10/762211310.db2.gz XAHYSNAJCRYHDG-STQMWFEESA-N 1 0 321.381 1.053 20 5 DDBDRO C[NH+](C)CCCC(=O)N[C@H]1C[C@@H](Nc2ncccc2[N+](=O)[O-])C1 ZINC001097244674 757015149 /nfs/dbraw/zinc/01/51/49/757015149.db2.gz MKFIQDSSOJFCBV-TXEJJXNPSA-N 1 0 321.381 1.391 20 5 DDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC2(C1)CC[NH+](CCCF)CC2 ZINC001040699869 762652701 /nfs/dbraw/zinc/65/27/01/762652701.db2.gz HENARKREOWMVRO-CHWSQXEVSA-N 1 0 313.373 1.326 20 5 DDBDRO O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CC[C@H]([NH+]2CCC2)C1 ZINC000828147113 759505226 /nfs/dbraw/zinc/50/52/26/759505226.db2.gz RIBDKFDWBYFYBW-JTQLQIEISA-N 1 0 319.317 1.244 20 5 DDBDRO O=C(CCC(F)F)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001131394185 768111519 /nfs/dbraw/zinc/11/15/19/768111519.db2.gz KNBUDJMSAXHBPZ-UHFFFAOYSA-N 1 0 301.293 1.846 20 5 DDBDRO Cc1c(F)cnc(-n2nnc3ccc(C[NH3+])cc32)c1[N+](=O)[O-] ZINC001170017318 763972882 /nfs/dbraw/zinc/97/28/82/763972882.db2.gz QFSXIHITMQTYGF-UHFFFAOYSA-N 1 0 302.269 1.630 20 5 DDBDRO CCOC(=O)c1ccc(N[C@H](C)[C@@H]2C[NH2+]CCO2)c([N+](=O)[O-])c1 ZINC001170569516 768182677 /nfs/dbraw/zinc/18/26/77/768182677.db2.gz JFTJYBKFDQGVKH-YGRLFVJLSA-N 1 0 323.349 1.560 20 5 DDBDRO CCOC(=O)c1cccc([N+](=O)[O-])c1NC[C@@H]1COCC[NH2+]1 ZINC001170045422 764369567 /nfs/dbraw/zinc/36/95/67/764369567.db2.gz UKMKWEHPOPXWDA-SNVBAGLBSA-N 1 0 309.322 1.172 20 5 DDBDRO C[NH+]1CC(CNc2cc([N+](=O)[O-])cc(Br)n2)C1 ZINC001170254845 766223220 /nfs/dbraw/zinc/22/32/20/766223220.db2.gz VGEAYOVFFMTFEY-UHFFFAOYSA-N 1 0 301.144 1.726 20 5 DDBDRO COc1ccc(C[C@H](C)[NH2+][C@@H]2CNC(=O)C2(C)C)c([N+](=O)[O-])c1 ZINC001170325859 766252944 /nfs/dbraw/zinc/25/29/44/766252944.db2.gz AUDRPAVEAQXKAM-IINYFYTJSA-N 1 0 321.377 1.649 20 5 DDBDRO CCC1(Nc2nc(Cl)nc(SC)c2[N+](=O)[O-])C[NH2+]C1 ZINC001157784462 766634973 /nfs/dbraw/zinc/63/49/73/766634973.db2.gz CWCAMJGXURQOBM-UHFFFAOYSA-N 1 0 303.775 1.924 20 5 DDBDRO O=C(CC1=CCOCC1)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001133398752 769770200 /nfs/dbraw/zinc/77/02/00/769770200.db2.gz LUQZQVVSPWQBBY-UHFFFAOYSA-N 1 0 319.361 1.537 20 5 DDBDRO O=C(NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)C1(CF)CCC1 ZINC001134037188 770575414 /nfs/dbraw/zinc/57/54/14/770575414.db2.gz VLNLESCBKRHNCX-UHFFFAOYSA-N 1 0 309.341 1.940 20 5 DDBDRO CCn1ccc(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)n1 ZINC001134770531 771166687 /nfs/dbraw/zinc/16/66/87/771166687.db2.gz YBDFEZFEDPIKGR-UHFFFAOYSA-N 1 0 317.349 1.331 20 5 DDBDRO CC1(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)CCOCC1 ZINC001135357086 771460974 /nfs/dbraw/zinc/46/09/74/771460974.db2.gz SNVHCVHLEFOUIX-UHFFFAOYSA-N 1 0 321.377 1.617 20 5 DDBDRO C[NH+](C)CCC(=O)N[C@H]1C[C@H](Nc2ccccc2[N+](=O)[O-])C1 ZINC001097096652 771622360 /nfs/dbraw/zinc/62/23/60/771622360.db2.gz QSKDTIZITYDFOE-HAQNSBGRSA-N 1 0 306.366 1.606 20 5 DDBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2cnc(N)c([N+](=O)[O-])c2)C1 ZINC001136444166 771969497 /nfs/dbraw/zinc/96/94/97/771969497.db2.gz CQCSSZUFUUEYEK-JTQLQIEISA-N 1 0 307.354 1.034 20 5 DDBDRO Cc1nc(N[C@H]2CC[NH2+]C[C@@H]2C(F)(F)F)ncc1[N+](=O)[O-] ZINC001160745882 772705022 /nfs/dbraw/zinc/70/50/22/772705022.db2.gz ZVUFIVPBKWLESW-YUMQZZPRSA-N 1 0 305.260 1.646 20 5 DDBDRO C[C@]1(NC(=O)c2cccc([N+](=O)[O-])c2N)C[NH+]2CCC1CC2 ZINC001146873312 772974788 /nfs/dbraw/zinc/97/47/88/772974788.db2.gz GRRMFPUEBIIAOD-HNNXBMFYSA-N 1 0 304.350 1.391 20 5 DDBDRO Cc1cc(N2CCN(C(=O)CC[NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC001093193701 774494212 /nfs/dbraw/zinc/49/42/12/774494212.db2.gz UYJAEEQFQIASQF-UHFFFAOYSA-N 1 0 320.393 1.504 20 5 DDBDRO CCC[N@H+](C)CCC(=O)NCCNc1ncc([N+](=O)[O-])cc1C ZINC001093770927 775068517 /nfs/dbraw/zinc/06/85/17/775068517.db2.gz OPOHPENCOLSXHB-UHFFFAOYSA-N 1 0 323.397 1.558 20 5 DDBDRO CC(C)[N@H+](C)CC(=O)NCC1(Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC001110158579 775939436 /nfs/dbraw/zinc/93/94/36/775939436.db2.gz MIBBZPNKGUPKHA-UHFFFAOYSA-N 1 0 320.393 1.996 20 5 DDBDRO C[C@]1(O)COCC[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172906390 776917072 /nfs/dbraw/zinc/91/70/72/776917072.db2.gz XPBWHHXHGSSTGE-NVXWUHKLSA-N 1 0 320.389 1.925 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N(C)OCC[NH3+])c1F ZINC001173193262 777037760 /nfs/dbraw/zinc/03/77/60/777037760.db2.gz UIMVMHWRTUSTQK-VIFPVBQESA-N 1 0 301.318 1.496 20 5 DDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CC(N2CC[NH+](C)CC2)C1 ZINC001173231633 777063208 /nfs/dbraw/zinc/06/32/08/777063208.db2.gz NFUQPFZWZPHAAY-CQSZACIVSA-N 1 0 318.421 1.457 20 5 DDBDRO CC[NH+](CC)CC(=O)N(C)CCNc1ccc([N+](=O)[O-])cc1 ZINC001101628564 777323980 /nfs/dbraw/zinc/32/39/80/777323980.db2.gz QYMCWTWJWMWMSM-UHFFFAOYSA-N 1 0 308.382 1.807 20 5 DDBDRO CC[N@@H+](Cc1ccccc1F)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001116150877 780479753 /nfs/dbraw/zinc/47/97/53/780479753.db2.gz ZMAWRYCLOVVTJG-AWEZNQCLSA-N 1 0 322.340 1.813 20 5 DDBDRO COC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC001116836106 780565849 /nfs/dbraw/zinc/56/58/49/780565849.db2.gz ZXIJHMAIQXQPAH-RYUDHWBXSA-N 1 0 321.333 1.125 20 5 DDBDRO COc1ccc2ncc([N+](=O)[O-])c(NCC[NH+]3CCC3)c2c1 ZINC001119407979 781441457 /nfs/dbraw/zinc/44/14/57/781441457.db2.gz BXDMUKMALVCDOG-UHFFFAOYSA-N 1 0 302.334 1.691 20 5 DDBDRO COc1cc([N+](=O)[O-])cnc1N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC001120040269 781734897 /nfs/dbraw/zinc/73/48/97/781734897.db2.gz CBVCMYYIFCQQCF-HNNXBMFYSA-N 1 0 306.366 1.921 20 5 DDBDRO C[NH+](C)C[C@H]1COCCN1c1ccc2ccc([N+](=O)[O-])cc2n1 ZINC001154967345 861609873 /nfs/dbraw/zinc/60/98/73/861609873.db2.gz IDVWLRIVODLXTQ-AWEZNQCLSA-N 1 0 316.361 1.910 20 5 DDBDRO [NH3+][C@H]1Cc2ccccc2N(c2cc([N+](=O)[O-])cc(Cl)[n+]2[O-])C1 ZINC001155300967 861947610 /nfs/dbraw/zinc/94/76/10/861947610.db2.gz YTMVWDKURBFAMS-JTQLQIEISA-N 1 0 320.736 1.903 20 5 DDBDRO C/C=C(/C)C(=O)N(CC)CC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001273317441 849436642 /nfs/dbraw/zinc/43/66/42/849436642.db2.gz FSVXLWKBLQZSBB-WZUFQYTHSA-N 1 0 309.370 1.233 20 5 DDBDRO O=[N+]([O-])c1ccc2ccc(N[C@H]3COCCC34C[NH2+]C4)nc2c1 ZINC001155463223 862113358 /nfs/dbraw/zinc/11/33/58/862113358.db2.gz WTWDPWABKFEXQK-AWEZNQCLSA-N 1 0 314.345 1.933 20 5 DDBDRO O=[N+]([O-])c1c(Cl)ccnc1NC[C@@H]1OC[C@H]2C[NH2+]CC[C@H]21 ZINC001155515116 862180593 /nfs/dbraw/zinc/18/05/93/862180593.db2.gz STIOPFZYSRFXJG-KKZNHRDASA-N 1 0 312.757 1.680 20 5 DDBDRO Cc1cnc(NC[C@H]2CO[C@]3(C2)CCC[NH2+]C3)c([N+](=O)[O-])c1 ZINC001155592470 862267176 /nfs/dbraw/zinc/26/71/76/862267176.db2.gz PKNFIXBWEDHKJO-WFASDCNBSA-N 1 0 306.366 1.869 20 5 DDBDRO Nc1nc(NC[C@H]2CO[C@]3(C2)CCC[NH2+]C3)ccc1[N+](=O)[O-] ZINC001155595351 862273280 /nfs/dbraw/zinc/27/32/80/862273280.db2.gz CGTSKFFXUJSARD-HZMBPMFUSA-N 1 0 307.354 1.143 20 5 DDBDRO Cc1nc(NC[C@H]2CO[C@]3(C2)CCC[NH2+]C3)ncc1[N+](=O)[O-] ZINC001155601332 862278956 /nfs/dbraw/zinc/27/89/56/862278956.db2.gz JCBKMBWWVMUARV-FZMZJTMJSA-N 1 0 307.354 1.264 20 5 DDBDRO CC(C)(O)CC(=O)NC/C=C\C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001273990666 851787531 /nfs/dbraw/zinc/78/75/31/851787531.db2.gz JLWWCNDPVDVWNZ-ARJAWSKDSA-N 1 0 321.377 1.518 20 5 DDBDRO COc1cc(N[C@@H]2CCO[C@]3(CC[NH2+]C3)C2)ncc1[N+](=O)[O-] ZINC001155618321 862297084 /nfs/dbraw/zinc/29/70/84/862297084.db2.gz CWDYIFUYECKSQO-QMTHXVAHSA-N 1 0 308.338 1.321 20 5 DDBDRO O=C(Cc1ccccc1[N+](=O)[O-])N1CCN[C@@H](c2cn[nH]c2)C1 ZINC001150609428 862349460 /nfs/dbraw/zinc/34/94/60/862349460.db2.gz XZIWWWDHHKZXCE-CYBMUJFWSA-N 1 0 315.333 1.034 20 5 DDBDRO Cc1cnc(NCC2([NH+](C)C)CCN(C)CC2)c([N+](=O)[O-])c1 ZINC001156176014 862776620 /nfs/dbraw/zinc/77/66/20/862776620.db2.gz HIQCHNKHHZPIDI-UHFFFAOYSA-N 1 0 307.398 1.736 20 5 DDBDRO [NH3+]CC[C@@H]1CCN(C(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC001122295794 858741337 /nfs/dbraw/zinc/74/13/37/858741337.db2.gz MZMGDMKGYBJHEV-DFBGVHRSSA-N 1 0 303.362 1.896 20 5 DDBDRO O=C(OCCn1cc([N+](=O)[O-])cn1)C12CCC[NH+](CCC1)C2 ZINC001122661539 858931913 /nfs/dbraw/zinc/93/19/13/858931913.db2.gz SJYXPFIUGJPIPX-UHFFFAOYSA-N 1 0 308.338 1.211 20 5 DDBDRO Cc1cc(C(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)on1 ZINC001123424339 859231612 /nfs/dbraw/zinc/23/16/12/859231612.db2.gz VUENMIXHYCCPOQ-UHFFFAOYSA-N 1 0 310.335 1.472 20 5 DDBDRO CC(C)(C)OC(=O)N1CCOC[C@H](OCCC[N+](C)(C)C)C1 ZINC001224619841 881474458 /nfs/dbraw/zinc/47/44/58/881474458.db2.gz SJJORFQQQXNDDN-CQSZACIVSA-N 1 0 317.450 1.735 20 5 DDBDRO COc1nc(C)c([N+](=O)[O-])c(N[C@H]2CC[N@@H+](C3CCC3)C2)n1 ZINC001161177803 859978974 /nfs/dbraw/zinc/97/89/74/859978974.db2.gz UOCVEWPWIWBDQU-JTQLQIEISA-N 1 0 307.354 1.741 20 5 DDBDRO CC[C@]1(C(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)CC[NH2+]C1 ZINC001326119456 861113410 /nfs/dbraw/zinc/11/34/10/861113410.db2.gz NACXKVFCLRXKKV-HNNXBMFYSA-N 1 0 307.350 1.609 20 5 DDBDRO C[C@@H]1CC[C@H](NC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)C[NH2+]1 ZINC001328965487 863380813 /nfs/dbraw/zinc/38/08/13/863380813.db2.gz IQSSDTVSPLHKAA-MFKMUULPSA-N 1 0 304.350 1.761 20 5 DDBDRO Cc1nc(Cl)nc(NC(=N)NCCCC[NH3+])c1[N+](=O)[O-] ZINC001157094453 863571009 /nfs/dbraw/zinc/57/10/09/863571009.db2.gz QAAKEMAYFLFYCE-UHFFFAOYSA-N 1 0 301.738 1.022 20 5 DDBDRO Cc1nc(C[NH2+]CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])sc1C ZINC001157760694 864111183 /nfs/dbraw/zinc/11/11/83/864111183.db2.gz HINUQABQZHULBA-GHMZBOCLSA-N 1 0 312.395 1.021 20 5 DDBDRO COc1nc(-n2cnc(C)c2CSCC[NH3+])ncc1[N+](=O)[O-] ZINC001157959200 864303385 /nfs/dbraw/zinc/30/33/85/864303385.db2.gz OGBZXZQEYXLNPE-UHFFFAOYSA-N 1 0 324.366 1.079 20 5 DDBDRO Cc1nc(Cl)c([N+](=O)[O-])c(-n2cc3c(n2)CC[C@H]([NH3+])C3)n1 ZINC001157980419 864328148 /nfs/dbraw/zinc/32/81/48/864328148.db2.gz VOHSMQCXSQPBOZ-QMMMGPOBSA-N 1 0 308.729 1.348 20 5 DDBDRO COc1cc2ncnc(N3CC4(C3)C[NH+](C)C4)c2cc1[N+](=O)[O-] ZINC001158866233 864948151 /nfs/dbraw/zinc/94/81/51/864948151.db2.gz LDMZPXASJJTUKU-UHFFFAOYSA-N 1 0 315.333 1.298 20 5 DDBDRO CCN(C(=O)CCCNc1ccc([N+](=O)[O-])cc1)[C@H]1CC[NH2+]C1 ZINC001331444915 865091372 /nfs/dbraw/zinc/09/13/72/865091372.db2.gz WGRVTRONWZDBSR-HNNXBMFYSA-N 1 0 320.393 1.997 20 5 DDBDRO O=C(NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccns1 ZINC001159114140 865113197 /nfs/dbraw/zinc/11/31/97/865113197.db2.gz YDBBLBXUPKZDOM-UHFFFAOYSA-N 1 0 320.374 1.961 20 5 DDBDRO [NH3+]C[C@@H]1COc2ccccc2N1c1ncc(F)cc1[N+](=O)[O-] ZINC001160196889 865723319 /nfs/dbraw/zinc/72/33/19/865723319.db2.gz YPFBDOPPVUMFEV-SNVBAGLBSA-N 1 0 304.281 1.987 20 5 DDBDRO Nc1cc([N+](=O)[O-])cnc1-n1nc(-c2ccncc2)cc1C[NH3+] ZINC001160339299 865792162 /nfs/dbraw/zinc/79/21/62/865792162.db2.gz HBJISGBBMZHVFT-UHFFFAOYSA-N 1 0 311.305 1.278 20 5 DDBDRO C[C@H]1CN(c2cc[nH+]cc2)CCN1Cn1nccc1[N+](=O)[O-] ZINC001333334158 866643156 /nfs/dbraw/zinc/64/31/56/866643156.db2.gz PXGSFBNKDFOIGZ-LBPRGKRZSA-N 1 0 302.338 1.355 20 5 DDBDRO CCc1ccccc1C[NH2+]C/C=C/CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001321053191 867269240 /nfs/dbraw/zinc/26/92/40/867269240.db2.gz XGZKODWLSKNVED-DOOVEFGSSA-N 1 0 317.389 1.676 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1-c1nc([C@H]2C[NH+]3CCC2CC3)no1 ZINC001321126766 867338440 /nfs/dbraw/zinc/33/84/40/867338440.db2.gz XCPBJUGVPYMDSG-NSHDSACASA-N 1 0 303.322 1.793 20 5 DDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC001324697970 867459617 /nfs/dbraw/zinc/45/96/17/867459617.db2.gz PNYFIBGYZCYDMM-MNOVXSKESA-N 1 0 304.350 1.318 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N[C@@]1(C)CCC[N@H+](C)C1 ZINC001162341319 867474745 /nfs/dbraw/zinc/47/47/45/867474745.db2.gz KLEAAZHIFNNZKH-AWEZNQCLSA-N 1 0 308.338 1.673 20 5 DDBDRO O=[N+]([O-])c1cnc(N[C@H]2C[C@@]23CCCOC3)nc1C1C[NH2+]C1 ZINC001162380751 867500811 /nfs/dbraw/zinc/50/08/11/867500811.db2.gz LVGPZUMTMRPAMV-SMDDNHRTSA-N 1 0 305.338 1.053 20 5 DDBDRO C[C@H]1C[NH2+]CCC[C@@H]1CNc1c[n+]([O-])c(Cl)cc1[N+](=O)[O-] ZINC001162455057 867545181 /nfs/dbraw/zinc/54/51/81/867545181.db2.gz RMPKJUAWYZQDPT-VHSXEESVSA-N 1 0 314.773 1.929 20 5 DDBDRO C[C@@H]1C[C@@H](CNc2ccc([N+](=O)[O-])c3c2CCN(C)C3)C[NH2+]1 ZINC001162559412 867640732 /nfs/dbraw/zinc/64/07/32/867640732.db2.gz OQZIJFHVWSPBSW-VXGBXAGGSA-N 1 0 304.394 1.993 20 5 DDBDRO O=C1NCc2c1c([N+](=O)[O-])ccc2NC[C@@]1(F)CCCC[NH2+]C1 ZINC001162586356 867662356 /nfs/dbraw/zinc/66/23/56/867662356.db2.gz UZQNCOXXLYLTJI-OAHLLOKOSA-N 1 0 322.340 1.732 20 5 DDBDRO C[NH+](C)[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])cnc2N)C1(C)C ZINC001162905186 867909990 /nfs/dbraw/zinc/90/99/90/867909990.db2.gz QIQYXLXZOMJYRT-QWRGUYRKSA-N 1 0 307.354 1.031 20 5 DDBDRO COC(=O)[C@@H](Nc1cc(F)c(OC)cc1[N+](=O)[O-])C(C)(C)[NH3+] ZINC001162947367 867936339 /nfs/dbraw/zinc/93/63/39/867936339.db2.gz DCZLDCFWOUEESU-LLVKDONJSA-N 1 0 315.301 1.433 20 5 DDBDRO COCC(=O)NCCC1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001163029755 868017251 /nfs/dbraw/zinc/01/72/51/868017251.db2.gz HAHGIKBPUHZCIE-UHFFFAOYSA-N 1 0 321.377 1.617 20 5 DDBDRO Cc1nc(Nc2ccc([C@@H](C[NH3+])CO)cc2)ncc1[N+](=O)[O-] ZINC001163058481 868046869 /nfs/dbraw/zinc/04/68/69/868046869.db2.gz JUCVJIMICMFYMF-NSHDSACASA-N 1 0 303.322 1.471 20 5 DDBDRO C[C@H](C[N+](C)(C)C)Oc1nc(C(F)(F)F)ccc1C(N)=O ZINC001225996159 882153019 /nfs/dbraw/zinc/15/30/19/882153019.db2.gz LGDBJHREZOKEIQ-MRVPVSSYSA-O 1 0 306.308 1.673 20 5 DDBDRO COc1c(F)cc(NCc2noc3c2C[NH2+]CC3)cc1[N+](=O)[O-] ZINC001163131989 868140660 /nfs/dbraw/zinc/14/06/60/868140660.db2.gz RMVMDRXBGHGTHC-UHFFFAOYSA-N 1 0 322.296 1.988 20 5 DDBDRO COC(=O)c1cc(N[C@H]2C[NH+]3CCC2CC3)cc([N+](=O)[O-])c1 ZINC001163393975 868414802 /nfs/dbraw/zinc/41/48/02/868414802.db2.gz AOKLKMRYAPLKRH-AWEZNQCLSA-N 1 0 305.334 1.888 20 5 DDBDRO O=C(NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1cnco1 ZINC001163528618 868511174 /nfs/dbraw/zinc/51/11/74/868511174.db2.gz AHIQWQGPMKDSFN-UHFFFAOYSA-N 1 0 304.306 1.493 20 5 DDBDRO CC(C)N(c1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-])C(C)C ZINC001163574864 868543485 /nfs/dbraw/zinc/54/34/85/868543485.db2.gz SVNFPEVPLNSARH-UHFFFAOYSA-N 1 0 308.386 1.418 20 5 DDBDRO Cc1ccc([C@H](C)NC(=O)N[C@@H]2C[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC001336060065 868706328 /nfs/dbraw/zinc/70/63/28/868706328.db2.gz JRMICFKOGQKJGI-NTZNESFSSA-N 1 0 306.366 1.871 20 5 DDBDRO C[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2N)C[C@@H]1C(C)(C)C ZINC001163929784 868801703 /nfs/dbraw/zinc/80/17/03/868801703.db2.gz NENIAYAIQVLCNR-CQSZACIVSA-N 1 0 320.393 1.979 20 5 DDBDRO CC(C)[N@H+](CCO)CC1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC001336725109 869110241 /nfs/dbraw/zinc/11/02/41/869110241.db2.gz AXJHCWLWEUGWLO-UHFFFAOYSA-N 1 0 322.409 1.909 20 5 DDBDRO COC(=O)c1cc(C)nc(NC[C@@H]2CCCC[N@@H+]2C)c1[N+](=O)[O-] ZINC001336745183 869119625 /nfs/dbraw/zinc/11/96/25/869119625.db2.gz GNMRDFSFHOMKDA-NSHDSACASA-N 1 0 322.365 1.981 20 5 DDBDRO COc1nc(C)c([N+](=O)[O-])c(N2CCC3(CC([NH3+])C3)CC2)n1 ZINC001165244250 869459860 /nfs/dbraw/zinc/45/98/60/869459860.db2.gz WWPXEKQUVIGIGA-UHFFFAOYSA-N 1 0 307.354 1.410 20 5 DDBDRO [NH3+]C1CC2(C1)CCN(c1c(Cl)[n+]([O-])ccc1[N+](=O)[O-])CC2 ZINC001165242931 869459927 /nfs/dbraw/zinc/45/99/27/869459927.db2.gz FWEXJQQOPSGKCM-UHFFFAOYSA-N 1 0 312.757 1.589 20 5 DDBDRO Cc1nc2c(n1-c1nc(C)cc(C)c1[N+](=O)[O-])CC[NH2+]CC2 ZINC001165352539 869540716 /nfs/dbraw/zinc/54/07/16/869540716.db2.gz BGUIXTZKMGRPBL-UHFFFAOYSA-N 1 0 301.350 1.789 20 5 DDBDRO COc1cnc(N2C[C@H](CF)[C@@H](C3([NH3+])CC3)C2)c([N+](=O)[O-])c1 ZINC001165432099 869595269 /nfs/dbraw/zinc/59/52/69/869595269.db2.gz SVMFNBRBYGIITH-ONGXEEELSA-N 1 0 310.329 1.512 20 5 DDBDRO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N[C@H]1C[NH+]2CCC1CC2 ZINC001338157358 869840146 /nfs/dbraw/zinc/84/01/46/869840146.db2.gz BGWFCENHEFOICI-QMMMGPOBSA-N 1 0 319.287 1.853 20 5 DDBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N(C)C[C@@H]2CC[NH2+]C2)n1 ZINC001166955227 870417957 /nfs/dbraw/zinc/41/79/57/870417957.db2.gz SIHFPKKMSLKJAH-SSDOTTSWSA-N 1 0 317.802 1.806 20 5 DDBDRO CCn1c([C@@H](C)[N+](=O)[O-])nnc1N(C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC001339340146 870452336 /nfs/dbraw/zinc/45/23/36/870452336.db2.gz MOXKTVBMGJSKGB-UPJWGTAASA-N 1 0 324.429 1.802 20 5 DDBDRO COC(=O)CSc1nccc(O[C@H](C)C[N+](C)(C)C)n1 ZINC001226415113 882415408 /nfs/dbraw/zinc/41/54/08/882415408.db2.gz TXFGWPZNRGQNME-SNVBAGLBSA-N 1 0 300.404 1.215 20 5 DDBDRO C[N@H+](CCNC(=O)c1cccnc1)Cc1ccc([N+](=O)[O-])cc1 ZINC001317439427 870837418 /nfs/dbraw/zinc/83/74/18/870837418.db2.gz SEHFIEPIPMGWOA-UHFFFAOYSA-N 1 0 314.345 1.852 20 5 DDBDRO Cc1c(C(=O)N2CC([NH2+]C3CCOCC3)C2)cccc1[N+](=O)[O-] ZINC001303646058 871146546 /nfs/dbraw/zinc/14/65/46/871146546.db2.gz KERPNOZGLUJLQQ-UHFFFAOYSA-N 1 0 319.361 1.496 20 5 DDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)NCC[C@H]1CSCC[NH2+]1 ZINC001340525577 871172244 /nfs/dbraw/zinc/17/22/44/871172244.db2.gz IXQWYPNXSDCPES-JTQLQIEISA-N 1 0 324.406 1.461 20 5 DDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@@H]1CN(C)CCO1 ZINC001340735210 871318206 /nfs/dbraw/zinc/31/82/06/871318206.db2.gz JWSUNMMMAIWADB-YGRLFVJLSA-N 1 0 322.365 1.085 20 5 DDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@@H]1CN(C)CCO1 ZINC001340735207 871318868 /nfs/dbraw/zinc/31/88/68/871318868.db2.gz JWSUNMMMAIWADB-HZMBPMFUSA-N 1 0 322.365 1.085 20 5 DDBDRO C[C@@H]1CN(C(=O)COc2cccc([N+](=O)[O-])c2)C[C@H]1CC[NH3+] ZINC001340919503 871428160 /nfs/dbraw/zinc/42/81/60/871428160.db2.gz BQVCJVVPBGECLA-VXGBXAGGSA-N 1 0 307.350 1.417 20 5 DDBDRO C[C@@H]1[C@H](C)[NH2+]C[C@H](C)N1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC001341141128 871524118 /nfs/dbraw/zinc/52/41/18/871524118.db2.gz PWTLZCCQOQFRSO-RWMBFGLXSA-N 1 0 320.393 1.994 20 5 DDBDRO COCCOC[C@@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001205550857 871621701 /nfs/dbraw/zinc/62/17/01/871621701.db2.gz DDRSGVWFHHDOLV-SNVBAGLBSA-N 1 0 308.338 1.612 20 5 DDBDRO C[C@@H]1C[NH2+]C[C@H]1NC(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC001341645072 871752267 /nfs/dbraw/zinc/75/22/67/871752267.db2.gz CVPZNEZMLGXRPC-BXKDBHETSA-N 1 0 311.769 1.905 20 5 DDBDRO O=C(NCC[NH+]1CC=CC1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC001318704980 872217786 /nfs/dbraw/zinc/21/77/86/872217786.db2.gz KMUWRVSRAMKELA-UHFFFAOYSA-N 1 0 301.306 1.073 20 5 DDBDRO C[C@H]1CN(C(=O)COc2ccccc2[N+](=O)[O-])CC[C@@H]1C[NH3+] ZINC001342740320 872362735 /nfs/dbraw/zinc/36/27/35/872362735.db2.gz LBOAMBJLCADRSF-NWDGAFQWSA-N 1 0 307.350 1.417 20 5 DDBDRO [NH3+]C[C@@]12CC[C@H]1CCCN2C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC001342959946 872450310 /nfs/dbraw/zinc/45/03/10/872450310.db2.gz KPORYVJSFXPTHO-CJNGLKHVSA-N 1 0 303.362 1.867 20 5 DDBDRO COCC[C@H]1C[NH2+]CCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC001342995017 872463249 /nfs/dbraw/zinc/46/32/49/872463249.db2.gz PRTRWQZQANXZRB-ZDUSSCGKSA-N 1 0 307.350 1.354 20 5 DDBDRO CN(CC1CC[NH2+]CC1)C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC001343568583 872672815 /nfs/dbraw/zinc/67/28/15/872672815.db2.gz KSEFBDLZCKFXTA-UHFFFAOYSA-N 1 0 307.350 1.432 20 5 DDBDRO O=C(NCC[C@@H]1CSCC[NH2+]1)c1ccc([N+](=O)[O-])s1 ZINC001343713808 872730275 /nfs/dbraw/zinc/73/02/75/872730275.db2.gz LAIIKPPMKHVMRQ-MRVPVSSYSA-N 1 0 301.393 1.481 20 5 DDBDRO O=C(C[NH2+]C[C@@H]1CCCO1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001345597260 873450419 /nfs/dbraw/zinc/45/04/19/873450419.db2.gz LFTOJJLIOUFMCU-AWEZNQCLSA-N 1 0 305.334 1.206 20 5 DDBDRO CN(C)[C@H](C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001346621112 873826477 /nfs/dbraw/zinc/82/64/77/873826477.db2.gz RUIWHAYHGCROCU-GDBMZVCRSA-N 1 0 323.393 1.264 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(OCC[N@H+]2CC[C@@H](OC)C2)c1 ZINC001227043632 882790663 /nfs/dbraw/zinc/79/06/63/882790663.db2.gz HCAFSUFPAKNDIM-GFCCVEGCSA-N 1 0 324.333 1.481 20 5 DDBDRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC001348998648 874915726 /nfs/dbraw/zinc/91/57/26/874915726.db2.gz MLTKTYAHMOTCFZ-VXGBXAGGSA-N 1 0 322.340 1.625 20 5 DDBDRO C[C@H](C[N+](C)(C)C)Oc1nnc2ccc(Br)cn21 ZINC001227156569 882880401 /nfs/dbraw/zinc/88/04/01/882880401.db2.gz RHRUVBLYUUTDFA-SECBINFHSA-N 1 0 314.207 1.965 20 5 DDBDRO C[N@@H+]1CC[C@H](Oc2ccc3c(c2)oc2cc(=O)ccc-2[n+]3[O-])C1 ZINC001227448635 883026263 /nfs/dbraw/zinc/02/62/63/883026263.db2.gz HODLYXMZJYBFKL-ZDUSSCGKSA-N 1 0 312.325 1.614 20 5 DDBDRO [NH3+]CCN(CC(F)(F)F)C(=O)COc1ccccc1[N+](=O)[O-] ZINC001353089713 877111719 /nfs/dbraw/zinc/11/17/19/877111719.db2.gz JTXIAAXIJDKIMQ-UHFFFAOYSA-N 1 0 321.255 1.323 20 5 DDBDRO O=C(NC[C@@H]1C[NH2+]CCC1(F)F)c1ccc(F)cc1[N+](=O)[O-] ZINC001353173990 877161494 /nfs/dbraw/zinc/16/14/94/877161494.db2.gz GORNNOHLZAVNJN-QMMMGPOBSA-N 1 0 317.267 1.709 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCCOC[C@@H]2CCOC2)c1 ZINC001353317185 877250753 /nfs/dbraw/zinc/25/07/53/877250753.db2.gz TXMDRUKTWNMBBT-BBRMVZONSA-N 1 0 324.377 1.661 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C2CC(N3CCOCC3)C2)c1 ZINC001353326210 877257769 /nfs/dbraw/zinc/25/77/69/877257769.db2.gz VOIYIJICMPYEOL-AVVWSFFYSA-N 1 0 321.377 1.081 20 5 DDBDRO Cc1c(CNC(=O)NC[C@@H]2C[NH2+]C[C@H]2C)cccc1[N+](=O)[O-] ZINC001353388527 877294941 /nfs/dbraw/zinc/29/49/41/877294941.db2.gz CYJFWGWUSGVTOD-MFKMUULPSA-N 1 0 306.366 1.558 20 5 DDBDRO C[C@@H]1C[NH2+]C[C@H]1CNC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC001353458111 877347216 /nfs/dbraw/zinc/34/72/16/877347216.db2.gz XJFRYLHPQJTKTD-OCCSQVGLSA-N 1 0 320.393 1.634 20 5 DDBDRO Cc1nn(C)c(N2CCC([NH2+]C3CCOCC3)CC2)c1[N+](=O)[O-] ZINC001354266212 877844441 /nfs/dbraw/zinc/84/44/41/877844441.db2.gz IHQHEHBOSUWIAZ-UHFFFAOYSA-N 1 0 323.397 1.374 20 5 DDBDRO C[C@H](NC(=O)CO[C@H]1CCC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC001354831097 878255246 /nfs/dbraw/zinc/25/52/46/878255246.db2.gz WLBNDAAQZYMESF-FZMZJTMJSA-N 1 0 307.350 1.541 20 5 DDBDRO [NH3+]C[C@@]12CC[C@H]1CCCN2C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC001355338617 878511161 /nfs/dbraw/zinc/51/11/61/878511161.db2.gz GQBAYJUWRQIJEU-WBMJQRKESA-N 1 0 319.361 1.704 20 5 DDBDRO Cc1c(C(=O)N2CCC(OC3C[NH2+]C3)CC2)cccc1[N+](=O)[O-] ZINC001355917773 878776913 /nfs/dbraw/zinc/77/69/13/878776913.db2.gz VKGXLWBEGZJLPE-UHFFFAOYSA-N 1 0 319.361 1.496 20 5 DDBDRO O=C(N[C@@H]1C[NH2+]CC2(CCOCC2)C1)c1ccccc1[N+](=O)[O-] ZINC001358081526 880318616 /nfs/dbraw/zinc/31/86/16/880318616.db2.gz PIFSOBUYNSBMMY-LBPRGKRZSA-N 1 0 319.361 1.483 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)OCc1ccc(-n2cccc2)cc1 ZINC001223873565 881129760 /nfs/dbraw/zinc/12/97/60/881129760.db2.gz LEMODIHYLBJCST-QGZVFWFLSA-N 1 0 317.409 1.978 20 5 DDBDRO O=c1[nH]cnc(O[C@H]2CC[C@@H]([NH+]3CCOCC3)CC2)c1[N+](=O)[O-] ZINC001228141505 883359421 /nfs/dbraw/zinc/35/94/21/883359421.db2.gz QYSQYCVORGFFBO-PHIMTYICSA-N 1 0 324.337 1.113 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc(F)c2cccnc12 ZINC001228743761 883649188 /nfs/dbraw/zinc/64/91/88/883649188.db2.gz OLPUANVBZDYQHH-LLVKDONJSA-N 1 0 307.345 1.737 20 5 DDBDRO CCOC(=O)c1cnc2ccnn2c1O[C@H](C)C[N+](C)(C)C ZINC001230947320 885073398 /nfs/dbraw/zinc/07/33/98/885073398.db2.gz XIANNHNCCMBHND-LLVKDONJSA-N 1 0 307.374 1.380 20 5 DDBDRO C[NH+](C)C1(C(=O)NCCNc2ccccc2[N+](=O)[O-])CCCC1 ZINC001290275503 913404683 /nfs/dbraw/zinc/40/46/83/913404683.db2.gz RETWXFSUXCYVTA-UHFFFAOYSA-N 1 0 320.393 1.997 20 5 DDBDRO CC(C)(C)[N@@H+]1CCCN(C(=O)c2cnc(N)c([N+](=O)[O-])c2)CC1 ZINC001292259343 913628342 /nfs/dbraw/zinc/62/83/42/913628342.db2.gz WVZJHZRKKSTAFS-UHFFFAOYSA-N 1 0 321.381 1.518 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCC3OCCO3)CC2)cc1 ZINC001254467094 896453574 /nfs/dbraw/zinc/45/35/74/896453574.db2.gz XGVJKRUSFHCBQN-UHFFFAOYSA-N 1 0 321.377 1.916 20 5 DDBDRO O=C1NC[C@@H]2CC[N@@H+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C[C@H]12 ZINC001254602095 896525400 /nfs/dbraw/zinc/52/54/00/896525400.db2.gz AYUIHCAFDWUGFH-GLQYFDAESA-N 1 0 301.346 1.130 20 5 DDBDRO O=C1NC[C@]2(CCC[N@@H+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)O1 ZINC001254603455 896526566 /nfs/dbraw/zinc/52/65/66/896526566.db2.gz NGPTYYNHPHAOIR-ZBFHGGJFSA-N 1 0 317.345 1.636 20 5 DDBDRO O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)c1cc([N+](=O)[O-])c[nH]1 ZINC001292987078 914139179 /nfs/dbraw/zinc/13/91/79/914139179.db2.gz PJUQSOCTUALSND-CYBMUJFWSA-N 1 0 322.365 1.296 20 5 DDBDRO [NH3+]CC1(CCNC(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC001263149834 900517109 /nfs/dbraw/zinc/51/71/09/900517109.db2.gz LPUZHPXEWBWGML-KGLIPLIRSA-N 1 0 303.362 1.944 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)n1 ZINC001293745936 914669761 /nfs/dbraw/zinc/66/97/61/914669761.db2.gz SHAOEWZEIMQNSL-CYBMUJFWSA-N 1 0 318.377 1.856 20 5 DDBDRO C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CC[NH2+]1 ZINC000278292920 214071214 /nfs/dbraw/zinc/07/12/14/214071214.db2.gz RELFDSQEVRTRLE-GHMZBOCLSA-N 1 0 306.366 1.531 20 5 DDBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H](CO)[C@H]2CCCO2)c2c(c1)COCO2 ZINC000447909740 230504780 /nfs/dbraw/zinc/50/47/80/230504780.db2.gz DORQPBMLQXJNAN-UONOGXRCSA-N 1 0 324.333 1.091 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]Cc2coc3ccccc23)c1 ZINC000563531097 303958961 /nfs/dbraw/zinc/95/89/61/303958961.db2.gz ZYEUQLLAYBEAQN-CYBMUJFWSA-N 1 0 316.317 1.688 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)[C@@H](C)C(C)(C)O ZINC000451363043 231076678 /nfs/dbraw/zinc/07/66/78/231076678.db2.gz RODGRUYBMLKLRL-NSHDSACASA-N 1 0 309.366 1.933 20 5 DDBDRO O=C1C[C@@]2(CC[N@@H+](CCOc3ccccc3[N+](=O)[O-])C2)CN1 ZINC000278760989 214383063 /nfs/dbraw/zinc/38/30/63/214383063.db2.gz BNOGNRNNMGBMGG-HNNXBMFYSA-N 1 0 305.334 1.186 20 5 DDBDRO CC[C@]1(O)CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000495209543 529441574 /nfs/dbraw/zinc/44/15/74/529441574.db2.gz BCNULLOPQBLBQU-HNNXBMFYSA-N 1 0 307.350 1.770 20 5 DDBDRO Cc1cc(C(=O)NC[C@@H]2CCC[N@@H+]2CCCO)cc([N+](=O)[O-])c1 ZINC000452346739 231354084 /nfs/dbraw/zinc/35/40/84/231354084.db2.gz HGJYUROXNWEBRQ-AWEZNQCLSA-N 1 0 321.377 1.480 20 5 DDBDRO COC(=O)c1cnc(N[C@@H]2CC[N@@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000358133548 299085090 /nfs/dbraw/zinc/08/50/90/299085090.db2.gz ZCMQRIAYVSAWQJ-SNVBAGLBSA-N 1 0 306.322 1.425 20 5 DDBDRO CCCN(CC[NH+]1CCCC1)C(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000286611696 219082283 /nfs/dbraw/zinc/08/22/83/219082283.db2.gz BWTIUPXVPJCSAU-UHFFFAOYSA-N 1 0 323.397 1.585 20 5 DDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000420276491 529932977 /nfs/dbraw/zinc/93/29/77/529932977.db2.gz HNCGNHFZIOZDDX-MNOVXSKESA-N 1 0 306.366 1.884 20 5 DDBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000420813313 529966625 /nfs/dbraw/zinc/96/66/25/529966625.db2.gz YGYMQIKJBWLYOC-CYBMUJFWSA-N 1 0 306.366 1.830 20 5 DDBDRO C[NH2+]C[C@H](C)CNC(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000417178663 529996573 /nfs/dbraw/zinc/99/65/73/529996573.db2.gz LGVMNEITBWIOHK-JTQLQIEISA-N 1 0 310.354 1.258 20 5 DDBDRO CN(C(=O)C[NH2+][C@H](CO)C1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000289456643 282349772 /nfs/dbraw/zinc/34/97/72/282349772.db2.gz GLMIZILJPHTYDL-OAHLLOKOSA-N 1 0 321.377 1.698 20 5 DDBDRO C[N@@H+]1CCC[C@@H](CCNC(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000458168647 530054557 /nfs/dbraw/zinc/05/45/57/530054557.db2.gz NPNYCXLGDPREJJ-ZDUSSCGKSA-N 1 0 320.393 1.855 20 5 DDBDRO C[N@@H+]1CC[C@@]2(CCN(c3nc4sccn4c3[N+](=O)[O-])C2)C1 ZINC000292391674 282355521 /nfs/dbraw/zinc/35/55/21/282355521.db2.gz UBIXIYLJJPBOGV-CYBMUJFWSA-N 1 0 307.379 1.836 20 5 DDBDRO CN1CC[NH+](CCC(C)(C)NC(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000331009141 530072121 /nfs/dbraw/zinc/07/21/21/530072121.db2.gz RCFHNKGSVVATNA-UHFFFAOYSA-N 1 0 323.397 1.069 20 5 DDBDRO CC(C)([NH3+])CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000236641200 201943710 /nfs/dbraw/zinc/94/37/10/201943710.db2.gz SBLZXUJSPHRWBD-UHFFFAOYSA-N 1 0 303.322 1.248 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000319936217 290818832 /nfs/dbraw/zinc/81/88/32/290818832.db2.gz AIPMETJSZZMNED-UWVGGRQHSA-N 1 0 301.368 1.307 20 5 DDBDRO [NH3+]C1(CNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CCC1 ZINC000342586118 282583526 /nfs/dbraw/zinc/58/35/26/282583526.db2.gz LDOVWCYFWZNQJU-UHFFFAOYSA-N 1 0 315.333 1.392 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)COc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000272562889 209979331 /nfs/dbraw/zinc/97/93/31/209979331.db2.gz UNRDILDCLUKAFC-TZMCWYRMSA-N 1 0 319.361 1.526 20 5 DDBDRO O=C([C@@H]1CCC[NH2+]C1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000194281152 186276165 /nfs/dbraw/zinc/27/61/65/186276165.db2.gz RDQYERGYSHHSCJ-CYBMUJFWSA-N 1 0 318.377 1.243 20 5 DDBDRO C[NH+](C)C[C@@H]1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000172198097 198056086 /nfs/dbraw/zinc/05/60/86/198056086.db2.gz XDNJVRNIWIKEPA-LBPRGKRZSA-N 1 0 321.377 1.845 20 5 DDBDRO CC[NH+]1CCC(NC(=O)COc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000021481587 352173227 /nfs/dbraw/zinc/17/32/27/352173227.db2.gz YGMOLQREWOPHDT-UHFFFAOYSA-N 1 0 321.377 1.883 20 5 DDBDRO C[C@H](CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC000041597159 352309650 /nfs/dbraw/zinc/30/96/50/352309650.db2.gz ADYILTRCTQFMIG-LLVKDONJSA-N 1 0 320.349 1.134 20 5 DDBDRO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000046047163 352434053 /nfs/dbraw/zinc/43/40/53/352434053.db2.gz GTNPKBHWUWADIY-ZDUSSCGKSA-N 1 0 322.365 1.250 20 5 DDBDRO C[N@@H+]1CCC[C@H](NC(=O)NCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000052519050 352613373 /nfs/dbraw/zinc/61/33/73/352613373.db2.gz WMYVTTSXKJSPTE-ZDUSSCGKSA-N 1 0 321.381 1.400 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCC[NH2+]C2CC2)c1C ZINC000054266970 352685235 /nfs/dbraw/zinc/68/52/35/352685235.db2.gz NONXYYFRDQLYBH-UHFFFAOYSA-N 1 0 313.379 1.242 20 5 DDBDRO C[C@@H](CNC(=O)Cn1ccc([N+](=O)[O-])n1)[N@@H+]1CCCC[C@@H]1C ZINC000055362621 352730121 /nfs/dbraw/zinc/73/01/21/352730121.db2.gz HYFYOIFIFATVMS-RYUDHWBXSA-N 1 0 309.370 1.170 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000057716566 352825831 /nfs/dbraw/zinc/82/58/31/352825831.db2.gz AHQZNMYGUSGGNL-SNVBAGLBSA-N 1 0 307.350 1.816 20 5 DDBDRO C[C@H]1CCCC[N@@H+]1CCNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000063812469 352925927 /nfs/dbraw/zinc/92/59/27/352925927.db2.gz HPBFNSLFFWLSGP-LBPRGKRZSA-N 1 0 309.370 1.172 20 5 DDBDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000063834458 352926472 /nfs/dbraw/zinc/92/64/72/352926472.db2.gz YYXMFCRXDFEDBW-CYBMUJFWSA-N 1 0 321.377 1.820 20 5 DDBDRO COc1ccc(CC(=O)NCC[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000067907065 353074940 /nfs/dbraw/zinc/07/49/40/353074940.db2.gz IKGVHYBSJIDRSQ-UHFFFAOYSA-N 1 0 321.377 1.748 20 5 DDBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2c([N+](=O)[O-])c(C)nn2C)C1 ZINC000173808647 198254980 /nfs/dbraw/zinc/25/49/80/198254980.db2.gz BIYYJSQIIFIPFK-GFCCVEGCSA-N 1 0 323.397 1.441 20 5 DDBDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000069502311 353164520 /nfs/dbraw/zinc/16/45/20/353164520.db2.gz NQAFUKCBSYIPOU-CQSZACIVSA-N 1 0 321.377 1.744 20 5 DDBDRO Cn1cc(CC[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cn1 ZINC000072665167 353208041 /nfs/dbraw/zinc/20/80/41/353208041.db2.gz FBXFJFOMKCVVEJ-CYBMUJFWSA-N 1 0 316.365 1.452 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)[C@@H]1CC[NH2+]C1 ZINC000564988078 304033136 /nfs/dbraw/zinc/03/31/36/304033136.db2.gz CWJUVHRLJFZCSD-GFCCVEGCSA-N 1 0 322.365 1.226 20 5 DDBDRO CCCc1n[nH]c(C(=O)N2CC[C@H](C[N@H+](C)CC)C2)c1[N+](=O)[O-] ZINC000174471251 198338986 /nfs/dbraw/zinc/33/89/86/198338986.db2.gz CPYBYWFRSUECHU-LLVKDONJSA-N 1 0 323.397 1.684 20 5 DDBDRO COc1cc(C[NH2+][C@H](C)CO)c([N+](=O)[O-])cc1OCC(F)F ZINC000272384973 209781690 /nfs/dbraw/zinc/78/16/90/209781690.db2.gz IFYLXOOKZYIMJF-MRVPVSSYSA-N 1 0 320.292 1.718 20 5 DDBDRO COc1cc(N2CC[C@H](C[NH+]3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000078404792 353515115 /nfs/dbraw/zinc/51/51/15/353515115.db2.gz IPQCZYOMGRFTHC-CYBMUJFWSA-N 1 0 321.377 1.762 20 5 DDBDRO CN(CC(=O)NC[C@H](C1CC1)[NH+](C)C)c1ccccc1[N+](=O)[O-] ZINC000079650256 353571671 /nfs/dbraw/zinc/57/16/71/353571671.db2.gz WWQBNVUGFBWCDL-OAHLLOKOSA-N 1 0 320.393 1.487 20 5 DDBDRO COC(=O)CC[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(C)c2)[C@@H](C)C1 ZINC000089265586 353763743 /nfs/dbraw/zinc/76/37/43/353763743.db2.gz KDGXWNYZNOIOJP-ZDUSSCGKSA-N 1 0 321.377 1.977 20 5 DDBDRO C[N@@H+](Cc1cn[nH]c1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000085825087 353736763 /nfs/dbraw/zinc/73/67/63/353736763.db2.gz ZUFGEVQMUHVSMM-CYBMUJFWSA-N 1 0 306.322 1.190 20 5 DDBDRO CC[C@@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000122684238 354027889 /nfs/dbraw/zinc/02/78/89/354027889.db2.gz VSZWZMAESDDYCX-MFKMUULPSA-N 1 0 313.379 1.343 20 5 DDBDRO Cc1nn(CCC(=O)NCCC[NH2+]C(C)C)c(C)c1[N+](=O)[O-] ZINC000151845841 354187403 /nfs/dbraw/zinc/18/74/03/354187403.db2.gz KKGHYXCSXHJFDW-UHFFFAOYSA-N 1 0 311.386 1.303 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H](CO)CC1 ZINC000293056327 354453275 /nfs/dbraw/zinc/45/32/75/354453275.db2.gz IFHQJXOLRKTUPR-UONOGXRCSA-N 1 0 324.377 1.429 20 5 DDBDRO C[N@H+](C[C@H](O)C1CC1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000305708925 354470807 /nfs/dbraw/zinc/47/08/07/354470807.db2.gz FJOOCMTZJGLBQH-CABCVRRESA-N 1 0 319.361 1.403 20 5 DDBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]Cc1cncn1C ZINC000289700911 354441511 /nfs/dbraw/zinc/44/15/11/354441511.db2.gz IOZBOHKMJYSNTL-LLVKDONJSA-N 1 0 317.349 1.835 20 5 DDBDRO CC[C@H](C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CC(F)(F)F ZINC000402662899 354669237 /nfs/dbraw/zinc/66/92/37/354669237.db2.gz VELBCWXLUJVPBC-GXSJLCMTSA-N 1 0 324.303 1.720 20 5 DDBDRO O=[N+]([O-])c1ccc(Cn2cc([C@@H]3CCC[NH2+]C3)nn2)c(F)c1 ZINC000404846865 354676473 /nfs/dbraw/zinc/67/64/73/354676473.db2.gz NAVJLRBNNYVXIY-SNVBAGLBSA-N 1 0 305.313 1.841 20 5 DDBDRO C[NH+](C)C[C@H](CO)Nc1ncc([N+](=O)[O-])cc1Br ZINC000589101770 354959585 /nfs/dbraw/zinc/95/95/85/354959585.db2.gz KMWVYDDKAZIDSM-SSDOTTSWSA-N 1 0 319.159 1.087 20 5 DDBDRO CC[C@@]1(O)CC[N@H+](Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C1 ZINC000589515035 354998576 /nfs/dbraw/zinc/99/85/76/354998576.db2.gz OJGBUPHCMWPEEY-OAHLLOKOSA-N 1 0 308.334 1.728 20 5 DDBDRO C[N@@H+]1C[C@H]2CCN(Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)[C@H]2C1 ZINC000590012856 355041892 /nfs/dbraw/zinc/04/18/92/355041892.db2.gz ZWWMMEGCKZHOJH-YGRLFVJLSA-N 1 0 301.350 1.607 20 5 DDBDRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000590753060 355165210 /nfs/dbraw/zinc/16/52/10/355165210.db2.gz ZXIJHMAIQXQPAH-NEPJUHHUSA-N 1 0 321.333 1.125 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCc2nc[nH]c2C1 ZINC000590599591 355126021 /nfs/dbraw/zinc/12/60/21/355126021.db2.gz JHKVEOCGXKDYSO-NSHDSACASA-N 1 0 318.333 1.116 20 5 DDBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]CC1=CCOCC1)OCCO2 ZINC000590655537 355139050 /nfs/dbraw/zinc/13/90/50/355139050.db2.gz VPTOYZPLQHLGKD-UHFFFAOYSA-N 1 0 306.318 1.802 20 5 DDBDRO NC(=O)[C@@H]1CC[C@H]([NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000590663643 355139794 /nfs/dbraw/zinc/13/97/94/355139794.db2.gz VVKHMGRAJSJBPS-KOLCDFICSA-N 1 0 321.333 1.110 20 5 DDBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000591348007 355294192 /nfs/dbraw/zinc/29/41/92/355294192.db2.gz RPKDYFYKHKWDLU-MELADBBJSA-N 1 0 318.377 1.782 20 5 DDBDRO CC[C@H]1CN(C(=O)NCCc2ccccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000591353216 355296609 /nfs/dbraw/zinc/29/66/09/355296609.db2.gz ABQAZKJGFBLGSA-JSGCOSHPSA-N 1 0 320.393 1.906 20 5 DDBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000591358973 355299461 /nfs/dbraw/zinc/29/94/61/355299461.db2.gz WGNLHWQHYRKQER-AWEZNQCLSA-N 1 0 320.393 1.921 20 5 DDBDRO C[C@@H]1Cc2ccccc2[C@H]1[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000591737476 355375645 /nfs/dbraw/zinc/37/56/45/355375645.db2.gz BQCOUIUURCZYSH-WPGHFRTFSA-N 1 0 316.361 1.675 20 5 DDBDRO CC(C)c1cc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)on1 ZINC000591742144 355375797 /nfs/dbraw/zinc/37/57/97/355375797.db2.gz CBIZSXZFNNVKDO-NSHDSACASA-N 1 0 309.326 1.053 20 5 DDBDRO O=C(NC[C@@H]1CCCC[NH2+]1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000591677880 355359950 /nfs/dbraw/zinc/35/99/50/355359950.db2.gz WNZUSNXHZQAXES-JTQLQIEISA-N 1 0 321.333 1.238 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000591686250 355362371 /nfs/dbraw/zinc/36/23/71/355362371.db2.gz YGZHYHDAUXQSRC-UWVGGRQHSA-N 1 0 311.313 1.423 20 5 DDBDRO O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1C[C@@H]1CC[NH2+]C1 ZINC000592158948 355522421 /nfs/dbraw/zinc/52/24/21/355522421.db2.gz ZMAGTYZSZJYEDZ-LLVKDONJSA-N 1 0 300.318 1.428 20 5 DDBDRO COc1ccc(NC(=O)CN2CC[NH2+]CC2(C)C)c([N+](=O)[O-])c1 ZINC000592473789 355592748 /nfs/dbraw/zinc/59/27/48/355592748.db2.gz OZTZNTKATHHJFW-UHFFFAOYSA-N 1 0 322.365 1.226 20 5 DDBDRO CC[C@@H]1CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC[C@H]1[NH3+] ZINC000592486139 355596227 /nfs/dbraw/zinc/59/62/27/355596227.db2.gz SLZRBMANGZMYBE-TZMCWYRMSA-N 1 0 320.393 1.901 20 5 DDBDRO CC[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C)O ZINC000592431090 355580935 /nfs/dbraw/zinc/58/09/35/355580935.db2.gz ZMRFPCLIEJIXMN-MFKMUULPSA-N 1 0 316.379 1.118 20 5 DDBDRO Nc1c(C(=O)N[C@H]2CC[NH2+]C3(CCC3)C2)cc(F)cc1[N+](=O)[O-] ZINC000592568986 355632482 /nfs/dbraw/zinc/63/24/82/355632482.db2.gz UFUDDMWHPQJWDI-JTQLQIEISA-N 1 0 322.340 1.721 20 5 DDBDRO CN(C(=O)Cc1ccc(F)cc1[N+](=O)[O-])[C@@H]1CCC[N@H+](C)C1 ZINC000593070123 355786493 /nfs/dbraw/zinc/78/64/93/355786493.db2.gz QEOYVGDPXCAEGZ-CYBMUJFWSA-N 1 0 309.341 1.829 20 5 DDBDRO C[C@@H](CCO)[N@H+](C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000593108102 355800740 /nfs/dbraw/zinc/80/07/40/355800740.db2.gz MZZHQWYAIUEPIB-NSHDSACASA-N 1 0 323.349 1.596 20 5 DDBDRO Cc1nn(C)c(C(=O)NCCC[N@@H+](C)CC(C)C)c1[N+](=O)[O-] ZINC000593204807 355823841 /nfs/dbraw/zinc/82/38/41/355823841.db2.gz RFWAOJCGWHIBPH-UHFFFAOYSA-N 1 0 311.386 1.344 20 5 DDBDRO [NH3+]CC1(CCNS(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000593731375 355979001 /nfs/dbraw/zinc/97/90/01/355979001.db2.gz UUVYFNJAVNAFMH-UHFFFAOYSA-N 1 0 305.381 1.064 20 5 DDBDRO CC(C)Oc1nc(N2CC[C@@H]3CC[NH2+][C@@H]3C2)ccc1[N+](=O)[O-] ZINC000593931366 356066592 /nfs/dbraw/zinc/06/65/92/356066592.db2.gz KGCXBVXMWLSBAJ-NWDGAFQWSA-N 1 0 306.366 1.965 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000594026411 356093297 /nfs/dbraw/zinc/09/32/97/356093297.db2.gz AXDRKFNUAXPFEZ-LSDHHAIUSA-N 1 0 321.377 1.244 20 5 DDBDRO Cn1c(C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000346715502 283145095 /nfs/dbraw/zinc/14/50/95/283145095.db2.gz AVVHTWHGOJAULP-LBPRGKRZSA-N 1 0 324.381 1.116 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[NH+](C(C)(C)CC)CC2)n1 ZINC000594390737 356194330 /nfs/dbraw/zinc/19/43/30/356194330.db2.gz ZWDCDGSVUGGNDS-UHFFFAOYSA-N 1 0 323.397 1.758 20 5 DDBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000594613781 356266378 /nfs/dbraw/zinc/26/63/78/356266378.db2.gz UORWFRXNXYLKQP-RVDBLKIQSA-N 1 0 317.389 1.749 20 5 DDBDRO C[C@@H](C[NH3+])n1cc(CNC(=O)Nc2ccccc2[N+](=O)[O-])nn1 ZINC000594651355 356275035 /nfs/dbraw/zinc/27/50/35/356275035.db2.gz CGZJFWUGJFVDGT-VIFPVBQESA-N 1 0 319.325 1.028 20 5 DDBDRO O=[N+]([O-])c1cc(O)ccc1-n1cc(CC[NH+]2CCCCC2)nn1 ZINC000594652893 356276225 /nfs/dbraw/zinc/27/62/25/356276225.db2.gz QAUJZQXUKOELEG-UHFFFAOYSA-N 1 0 317.349 1.910 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CCc1ccoc1 ZINC000594733593 356300557 /nfs/dbraw/zinc/30/05/57/356300557.db2.gz ZAHVRRDIFYJARL-ZDUSSCGKSA-N 1 0 306.318 1.760 20 5 DDBDRO C[C@@H]1CCC[C@@H](C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])O1 ZINC000594731946 356300836 /nfs/dbraw/zinc/30/08/36/356300836.db2.gz HGPOXHACBNUXKO-RDBSUJKOSA-N 1 0 324.377 1.882 20 5 DDBDRO COC[C@@H](CC1CCOCC1)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000595021415 356373531 /nfs/dbraw/zinc/37/35/31/356373531.db2.gz DJVKYZFEJRCLCW-CYBMUJFWSA-N 1 0 312.370 1.213 20 5 DDBDRO CCN1C[C@@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2OC)CC1=O ZINC000595041607 356375843 /nfs/dbraw/zinc/37/58/43/356375843.db2.gz MLGYFVLRMDAZHX-QWRGUYRKSA-N 1 0 307.350 1.875 20 5 DDBDRO CCN1C[C@@H]([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)CC1=O ZINC000595041606 356376111 /nfs/dbraw/zinc/37/61/11/356376111.db2.gz MLGYFVLRMDAZHX-MNOVXSKESA-N 1 0 307.350 1.875 20 5 DDBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCNC1=O ZINC000595053294 356377026 /nfs/dbraw/zinc/37/70/26/356377026.db2.gz FYKOTSIQSRGERL-QWRGUYRKSA-N 1 0 309.391 1.944 20 5 DDBDRO O=C1CC[C@@H](C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)N1 ZINC000595090956 356381465 /nfs/dbraw/zinc/38/14/65/356381465.db2.gz QBAXHWIBTCWXHW-QJPTWQEYSA-N 1 0 307.354 1.143 20 5 DDBDRO Cc1ccc(NC(=O)C(=O)NCC[C@H](C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000595124746 356386649 /nfs/dbraw/zinc/38/66/49/356386649.db2.gz DYKZTXCACRUPJN-NSHDSACASA-N 1 0 322.365 1.298 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000595228840 356412465 /nfs/dbraw/zinc/41/24/65/356412465.db2.gz OPKPGNBOWBRCHG-NXEZZACHSA-N 1 0 312.301 1.506 20 5 DDBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)NCC12CC(C1)C[NH2+]2 ZINC000595264794 356425901 /nfs/dbraw/zinc/42/59/01/356425901.db2.gz GEMKTVRXOPQMNC-UHFFFAOYSA-N 1 0 320.349 1.025 20 5 DDBDRO Cc1noc(CN(C)CCC[N@@H+](C)CCN(C)C)c1[N+](=O)[O-] ZINC000595491305 356515929 /nfs/dbraw/zinc/51/59/29/356515929.db2.gz VILBGMUPZUYBII-UHFFFAOYSA-N 1 0 313.402 1.207 20 5 DDBDRO COc1ccc(C[N@@H+]2CC[C@H](Cn3ccnn3)C2)cc1[N+](=O)[O-] ZINC000595605763 356573098 /nfs/dbraw/zinc/57/30/98/356573098.db2.gz FXXVXFIGDJUPCZ-ZDUSSCGKSA-N 1 0 317.349 1.717 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@H](C3CCC3)C2)c1 ZINC000595838739 356673088 /nfs/dbraw/zinc/67/30/88/356673088.db2.gz VHVLNKQLXHPJTC-ZFWWWQNUSA-N 1 0 308.382 1.664 20 5 DDBDRO CC1(C)CC[NH2+][C@H]1C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000595954516 356721363 /nfs/dbraw/zinc/72/13/63/356721363.db2.gz VBDMSZUKJPZCCY-ZDUSSCGKSA-N 1 0 321.381 1.343 20 5 DDBDRO O=c1[nH]ccc(NCC2([NH+]3CCCC3)CCOCC2)c1[N+](=O)[O-] ZINC000596114702 356777987 /nfs/dbraw/zinc/77/79/87/356777987.db2.gz NAQWAGHKBPUFAH-UHFFFAOYSA-N 1 0 322.365 1.752 20 5 DDBDRO C[C@@H]1C[N@H+](C(C)(C)CNc2cc[nH]c(=O)c2[N+](=O)[O-])C[C@H](C)O1 ZINC000596065563 356758473 /nfs/dbraw/zinc/75/84/73/356758473.db2.gz SEFHZWKRBQUZDT-PHIMTYICSA-N 1 0 324.381 1.995 20 5 DDBDRO CC1(C)OCC[C@@H]1C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000596067284 356760282 /nfs/dbraw/zinc/76/02/82/356760282.db2.gz WNCPXYWQYZZYSZ-CHWSQXEVSA-N 1 0 324.377 1.739 20 5 DDBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCOCCF ZINC000596094064 356769696 /nfs/dbraw/zinc/76/96/96/356769696.db2.gz IOWFVACRJIXUFO-NSHDSACASA-N 1 0 313.329 1.888 20 5 DDBDRO CC(C)C[NH2+]C1(CO)CCN(c2cccnc2[N+](=O)[O-])CC1 ZINC000596252532 356833359 /nfs/dbraw/zinc/83/33/59/356833359.db2.gz GZSKEJMYKRTBAI-UHFFFAOYSA-N 1 0 308.382 1.567 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000237190072 202182797 /nfs/dbraw/zinc/18/27/97/202182797.db2.gz GXMGXNGTZUBHQN-QWRGUYRKSA-N 1 0 307.350 1.803 20 5 DDBDRO O=[N+]([O-])c1cccnc1N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000596268207 356838597 /nfs/dbraw/zinc/83/85/97/356838597.db2.gz HXAZWCWSSIFDBR-UHFFFAOYSA-N 1 0 306.366 1.681 20 5 DDBDRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000358786056 299254156 /nfs/dbraw/zinc/25/41/56/299254156.db2.gz BIEGJPJPHPJGFY-GHMZBOCLSA-N 1 0 323.349 1.711 20 5 DDBDRO COC(=O)[C@H]1C[C@H]([NH2+]Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000597244276 357107924 /nfs/dbraw/zinc/10/79/24/357107924.db2.gz POQMVIVTXKVQCD-HOMQSWHASA-N 1 0 324.333 1.653 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000597859806 357362538 /nfs/dbraw/zinc/36/25/38/357362538.db2.gz YHYYXJJETDVDPL-LBPRGKRZSA-N 1 0 323.397 1.479 20 5 DDBDRO CCN(C(=O)CCn1nc(C)c([N+](=O)[O-])c1C)[C@@H]1CC[N@H+](C)C1 ZINC000597946291 357395033 /nfs/dbraw/zinc/39/50/33/357395033.db2.gz NKFYEUQTEJYECG-CYBMUJFWSA-N 1 0 323.397 1.351 20 5 DDBDRO COC(=O)c1ccnc(N[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000598599465 357648944 /nfs/dbraw/zinc/64/89/44/357648944.db2.gz OIWMFSGPDNZREM-VHSXEESVSA-N 1 0 308.338 1.671 20 5 DDBDRO [NH3+][C@]12CCC[C@@H]1CN(C(=O)CCOc1ccccc1[N+](=O)[O-])C2 ZINC000598669366 357678296 /nfs/dbraw/zinc/67/82/96/357678296.db2.gz IMOSMSFYSUGIOJ-WBMJQRKESA-N 1 0 319.361 1.704 20 5 DDBDRO COC(=O)c1ccnc(NCC2=CC[N@H+](C)CC2)c1[N+](=O)[O-] ZINC000598614727 357654362 /nfs/dbraw/zinc/65/43/62/357654362.db2.gz SIKWJJLSEZIURZ-UHFFFAOYSA-N 1 0 306.322 1.450 20 5 DDBDRO C[NH2+]C1(CNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CCC1 ZINC000598634192 357663544 /nfs/dbraw/zinc/66/35/44/357663544.db2.gz SHKRPTYTHFBKES-UHFFFAOYSA-N 1 0 313.379 1.552 20 5 DDBDRO [NH3+][C@@]12CCC[C@H]1CN(C(=O)COc1cccc([N+](=O)[O-])c1)C2 ZINC000598669986 357678958 /nfs/dbraw/zinc/67/89/58/357678958.db2.gz PDYGIIXMCYOUTQ-XHDPSFHLSA-N 1 0 305.334 1.313 20 5 DDBDRO O=C(NC[C@H]1C[NH2+]CCCO1)Nc1ccc([N+](=O)[O-])cc1F ZINC000598913548 357757068 /nfs/dbraw/zinc/75/70/68/357757068.db2.gz LUCZMQOJAUNQTP-SNVBAGLBSA-N 1 0 312.301 1.234 20 5 DDBDRO O=C(NC[C@H]1C[NH2+]CCO1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000598916233 357757766 /nfs/dbraw/zinc/75/77/66/357757766.db2.gz TYBOVUISEAKGOH-SECBINFHSA-N 1 0 314.729 1.358 20 5 DDBDRO C[C@H]1CN(c2ccc3cnccc3c2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000599071090 357807878 /nfs/dbraw/zinc/80/78/78/357807878.db2.gz PQPDHPIGUKWLIM-LBPRGKRZSA-N 1 0 316.361 1.646 20 5 DDBDRO C[NH+](C)[C@@H]1[C@H]2CN(c3ncnc4sc([N+](=O)[O-])cc43)C[C@H]21 ZINC000599084185 357810488 /nfs/dbraw/zinc/81/04/88/357810488.db2.gz PROVVYWOMAYXCO-JZYVYDRUSA-N 1 0 305.363 1.596 20 5 DDBDRO Cc1cc(N2C[C@@H](CO)[C@H](CO)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000599127704 357823534 /nfs/dbraw/zinc/82/35/34/357823534.db2.gz MVVORWRRZWIHSS-RYUDHWBXSA-N 1 0 317.345 1.488 20 5 DDBDRO C[C@H]1C[C@H](C[NH3+])CN1S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000261623983 291122345 /nfs/dbraw/zinc/12/23/45/291122345.db2.gz GUSZINLIMOZGSF-DTWKUNHWSA-N 1 0 317.342 1.092 20 5 DDBDRO COC(=O)[C@]1(OC)CC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000599568168 357976756 /nfs/dbraw/zinc/97/67/56/357976756.db2.gz QVEWEMFEVDZEMP-ABAIWWIYSA-N 1 0 308.334 1.920 20 5 DDBDRO NC(=O)c1ccc(C[N@@H+]2C[C@@H]3CCC[C@]3(CO)C2)c([N+](=O)[O-])c1 ZINC000599639636 358002079 /nfs/dbraw/zinc/00/20/79/358002079.db2.gz KXCIGUMQHJKAEM-XJKSGUPXSA-N 1 0 319.361 1.288 20 5 DDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)C[C@H]1C[C@@H](O)C1 ZINC000599674070 358019791 /nfs/dbraw/zinc/01/97/91/358019791.db2.gz WBSNPHCOVVKPEW-GYSYKLTISA-N 1 0 307.350 1.625 20 5 DDBDRO COC(=O)C1C[C@H](C)[NH+](CCn2ccc([N+](=O)[O-])n2)[C@@H](C)C1 ZINC000599688682 358026136 /nfs/dbraw/zinc/02/61/36/358026136.db2.gz LLJMCMRKGCJBPJ-QWRGUYRKSA-N 1 0 310.354 1.453 20 5 DDBDRO O=C(NCCC[NH+]1CCCC1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000179993162 199103943 /nfs/dbraw/zinc/10/39/43/199103943.db2.gz QIRRTPLVCOSPGT-UHFFFAOYSA-N 1 0 321.333 1.539 20 5 DDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000599786084 358059125 /nfs/dbraw/zinc/05/91/25/358059125.db2.gz CTNWIRHOZSJZQP-CYBMUJFWSA-N 1 0 322.365 1.345 20 5 DDBDRO Cc1c(CNC(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)cccc1[N+](=O)[O-] ZINC000599918277 358080285 /nfs/dbraw/zinc/08/02/85/358080285.db2.gz NKCVPCNWAWSOBP-GXFFZTMASA-N 1 0 306.366 1.843 20 5 DDBDRO COc1cc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)c([N+](=O)[O-])cc1F ZINC000599992025 358097857 /nfs/dbraw/zinc/09/78/57/358097857.db2.gz OXGHKHNEVFXCMM-MSRIBSCDSA-N 1 0 323.324 1.375 20 5 DDBDRO O=C(Cn1ccc([N+](=O)[O-])n1)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000600229133 358163535 /nfs/dbraw/zinc/16/35/35/358163535.db2.gz PWLAWDBKMXZPGW-CYBMUJFWSA-N 1 0 321.381 1.315 20 5 DDBDRO O=C(NCC[N@H+]1CC[C@@H](O)C1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000600553246 358255036 /nfs/dbraw/zinc/25/50/36/358255036.db2.gz TZKRPVZWSQPUDE-SNVBAGLBSA-N 1 0 313.741 1.045 20 5 DDBDRO Cc1ncccc1C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000600762298 358310253 /nfs/dbraw/zinc/31/02/53/358310253.db2.gz QHDTXHDJQIZBLS-HNNXBMFYSA-N 1 0 317.345 1.828 20 5 DDBDRO Cc1nn(CCC(=O)N2CCCC[C@H]2[C@H](C)[NH3+])c(C)c1[N+](=O)[O-] ZINC000237421876 202260152 /nfs/dbraw/zinc/26/01/52/202260152.db2.gz HCLGMHLLHXSNLB-GWCFXTLKSA-N 1 0 323.397 1.527 20 5 DDBDRO CS[C@H]1CN(c2ncc(F)cc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000601136254 358417018 /nfs/dbraw/zinc/41/70/18/358417018.db2.gz YWXZNAYOZWAOOT-MNOVXSKESA-N 1 0 300.359 1.611 20 5 DDBDRO C[N@@H+]1CCN(CCNc2ncc(F)cc2[N+](=O)[O-])CC1(C)C ZINC000601159971 358426439 /nfs/dbraw/zinc/42/64/39/358426439.db2.gz OTCBRLNPVCHKSX-UHFFFAOYSA-N 1 0 311.361 1.567 20 5 DDBDRO CN(C[C@H]1CCC[N@@H+]1C)c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601175890 358434250 /nfs/dbraw/zinc/43/42/50/358434250.db2.gz RJFRCSYSFSARAW-MRVPVSSYSA-N 1 0 321.303 1.878 20 5 DDBDRO O=[N+]([O-])c1ccc2nccc(N3CC([N@@H+]4CC[C@@H](O)C4)C3)c2c1 ZINC000601185339 358438517 /nfs/dbraw/zinc/43/85/17/358438517.db2.gz WOUXPWZOFWIYNO-CYBMUJFWSA-N 1 0 314.345 1.398 20 5 DDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000601189982 358439974 /nfs/dbraw/zinc/43/99/74/358439974.db2.gz YLFCLYHPUZUIQZ-CQSZACIVSA-N 1 0 311.386 1.013 20 5 DDBDRO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000601558027 358599985 /nfs/dbraw/zinc/59/99/85/358599985.db2.gz QHBQZTHHBLDCBL-HZMBPMFUSA-N 1 0 307.325 1.948 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H]3C[NH2+]CC[C@H]32)n1 ZINC000601552196 358597887 /nfs/dbraw/zinc/59/78/87/358597887.db2.gz JINZCARSUNTFAG-WDEREUQCSA-N 1 0 307.354 1.025 20 5 DDBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000601973312 358760073 /nfs/dbraw/zinc/76/00/73/358760073.db2.gz JVXPQFJQNQMZCG-SDDRHHMPSA-N 1 0 305.334 1.500 20 5 DDBDRO CN(CCC[NH3+])C(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000602434777 358973704 /nfs/dbraw/zinc/97/37/04/358973704.db2.gz RHTCHSFWUMUBMB-UHFFFAOYSA-N 1 0 316.155 1.778 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CC3(CO)CCC3)CC2)cn1 ZINC000602610402 359072276 /nfs/dbraw/zinc/07/22/76/359072276.db2.gz WJSJVTQLLXJRBW-UHFFFAOYSA-N 1 0 320.393 1.711 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CC3=CCCOC3)CC2)cn1 ZINC000602663878 359110859 /nfs/dbraw/zinc/11/08/59/359110859.db2.gz WQXFTLDGKNJVKN-UHFFFAOYSA-N 1 0 318.377 1.895 20 5 DDBDRO COc1cc(C(=O)N2CCCCC[C@@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000602577708 359052379 /nfs/dbraw/zinc/05/23/79/359052379.db2.gz JOESFQCJPCJJKN-GFCCVEGCSA-N 1 0 307.350 1.947 20 5 DDBDRO COc1ccc(C(=O)N2CCCCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000602576481 359052664 /nfs/dbraw/zinc/05/26/64/359052664.db2.gz CLMROYYQDQCAQG-GFCCVEGCSA-N 1 0 307.350 1.947 20 5 DDBDRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000602601242 359064911 /nfs/dbraw/zinc/06/49/11/359064911.db2.gz ZYXGIRRJWULNMT-DGCLKSJQSA-N 1 0 318.377 1.757 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@H](O)C[C@@H]1c1ccccc1 ZINC000602839812 359229346 /nfs/dbraw/zinc/22/93/46/359229346.db2.gz IVAMJXIHFUMBNX-HUUCEWRRSA-N 1 0 316.361 1.908 20 5 DDBDRO CCOc1cc(CN2CC[N@H+](C)C[C@H]2CO)ccc1[N+](=O)[O-] ZINC000602907662 359286633 /nfs/dbraw/zinc/28/66/33/359286633.db2.gz ZSOGSBWINAQYED-ZDUSSCGKSA-N 1 0 309.366 1.102 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000602914822 359291531 /nfs/dbraw/zinc/29/15/31/359291531.db2.gz JKZIHDPSPHUFJT-SMDDFHAHSA-N 1 0 312.395 1.085 20 5 DDBDRO Cn1cc(C2=CCCN(CCn3cc([N+](=O)[O-])cn3)C2)cn1 ZINC000602889941 359273726 /nfs/dbraw/zinc/27/37/26/359273726.db2.gz XKBZQOUCHAJTNU-UHFFFAOYSA-N 1 0 302.338 1.314 20 5 DDBDRO C[C@@H]1CN(CC[NH2+][C@](C)(CO)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000602963675 359326040 /nfs/dbraw/zinc/32/60/40/359326040.db2.gz YHHHEXCGIUBFBN-CZUORRHYSA-N 1 0 323.393 1.113 20 5 DDBDRO C[C@H](C[NH3+])N(C)C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000237601379 202299479 /nfs/dbraw/zinc/29/94/79/202299479.db2.gz SPCBBJPHIMTCRP-SECBINFHSA-N 1 0 315.757 1.823 20 5 DDBDRO CC[NH+](CC)CCCn1cc(C(=O)OC)cc([N+](=O)[O-])c1=O ZINC000188297200 200223760 /nfs/dbraw/zinc/22/37/60/200223760.db2.gz ORTPTYVGMYDEHI-UHFFFAOYSA-N 1 0 311.338 1.275 20 5 DDBDRO O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CC[NH2+]CC1 ZINC000237887369 202379008 /nfs/dbraw/zinc/37/90/08/202379008.db2.gz XITQVOFSYPIDNO-UHFFFAOYSA-N 1 0 318.358 1.764 20 5 DDBDRO CC[N@@H+]1CC[C@H](CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000609357433 360300874 /nfs/dbraw/zinc/30/08/74/360300874.db2.gz INVWVGHFTKJLGN-SNVBAGLBSA-N 1 0 321.333 1.395 20 5 DDBDRO CCN1CC[NH+](C[C@H](C)CNc2cccnc2[N+](=O)[O-])CC1 ZINC000609111599 360260562 /nfs/dbraw/zinc/26/05/62/360260562.db2.gz PIQMSQXLXHZROA-CYBMUJFWSA-N 1 0 307.398 1.675 20 5 DDBDRO C[N@@H+]1CCC[C@H](N2CCN(c3cccnc3[N+](=O)[O-])CC2)C1 ZINC000609675160 360344124 /nfs/dbraw/zinc/34/41/24/360344124.db2.gz ZVPIIDLMKINKNR-ZDUSSCGKSA-N 1 0 305.382 1.206 20 5 DDBDRO C[N@@H+]1CCC[C@H](NC(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000609471160 360311989 /nfs/dbraw/zinc/31/19/89/360311989.db2.gz CWHGPHBJPFHBAN-LBPRGKRZSA-N 1 0 322.365 1.367 20 5 DDBDRO C[NH+]1CCC(N(CCO)Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000610476719 360444444 /nfs/dbraw/zinc/44/44/44/360444444.db2.gz UYCPOACNWZETME-UHFFFAOYSA-N 1 0 311.357 1.622 20 5 DDBDRO O=C1C[C@H]2CC[C@@H](CN1)[N@H+]2CCOc1cccc([N+](=O)[O-])c1 ZINC000610506556 360456313 /nfs/dbraw/zinc/45/63/13/360456313.db2.gz BKNSRYAQLWXBEY-YPMHNXCESA-N 1 0 305.334 1.327 20 5 DDBDRO C[NH2+]C[C@@H]1CCN(S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])C1 ZINC000440443134 283571096 /nfs/dbraw/zinc/57/10/96/283571096.db2.gz ISDBAQKRRCWOSX-NSHDSACASA-N 1 0 313.379 1.133 20 5 DDBDRO CC(C)[NH2+][C@@H]1CCCN(c2ccc3ncc([N+](=O)[O-])n3n2)C1 ZINC000611240178 360675500 /nfs/dbraw/zinc/67/55/00/360675500.db2.gz IWICGDMBNALMFQ-LLVKDONJSA-N 1 0 304.354 1.604 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C2(CO)CCCCC2)c1 ZINC000611462830 360723988 /nfs/dbraw/zinc/72/39/88/360723988.db2.gz CMNOCZAREDVHEK-AWEZNQCLSA-N 1 0 324.377 1.619 20 5 DDBDRO CO[C@H]1CCN(CCOc2cccc([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000359039821 299313913 /nfs/dbraw/zinc/31/39/13/299313913.db2.gz JNXJNAWNSZWZMA-KBPBESRZSA-N 1 0 309.366 1.412 20 5 DDBDRO C[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C[C@@H](O)C1CC1 ZINC000612086860 360913963 /nfs/dbraw/zinc/91/39/63/360913963.db2.gz YZYIHLRJYCOCLA-GXTWGEPZSA-N 1 0 310.350 1.037 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCOCC2(CC2)C1 ZINC000612120810 360924916 /nfs/dbraw/zinc/92/49/16/360924916.db2.gz XAOOTEIONWKJKW-CYBMUJFWSA-N 1 0 322.361 1.447 20 5 DDBDRO Cc1ccc(C)c(S(=O)(=O)NCC[C@H](C)[NH3+])c1[N+](=O)[O-] ZINC000193254245 201014062 /nfs/dbraw/zinc/01/40/62/201014062.db2.gz ARSDYONFZATIDE-JTQLQIEISA-N 1 0 301.368 1.227 20 5 DDBDRO Cc1c(C(=O)N[C@@H]2CCC[NH2+][C@H]2C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000193615143 201087321 /nfs/dbraw/zinc/08/73/21/201087321.db2.gz UDLLNKVEGCOQTI-JOYOIKCWSA-N 1 0 322.321 1.682 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCCCC[NH+]1CCOCC1 ZINC000194451056 201230375 /nfs/dbraw/zinc/23/03/75/201230375.db2.gz HTUNCCGSZBMLQV-UHFFFAOYSA-N 1 0 321.377 1.745 20 5 DDBDRO Cn1nnnc1CC[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000618985529 363827883 /nfs/dbraw/zinc/82/78/83/363827883.db2.gz GIWWUHSIMRWKNW-ZDUSSCGKSA-N 1 0 316.365 1.673 20 5 DDBDRO CCCc1n[nH]c(C(=O)NCC23CCC[NH+]2CCC3)c1[N+](=O)[O-] ZINC000619574101 364067142 /nfs/dbraw/zinc/06/71/42/364067142.db2.gz OYXFJVJOYBLGFZ-UHFFFAOYSA-N 1 0 321.381 1.629 20 5 DDBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000619759459 364143271 /nfs/dbraw/zinc/14/32/71/364143271.db2.gz MPAXTROGFFDLEH-AWEZNQCLSA-N 1 0 320.393 1.873 20 5 DDBDRO O=C(c1n[nH]cc1[N+](=O)[O-])N1CCC[N@H+](CC2CCC2)CC1 ZINC000619879243 364172147 /nfs/dbraw/zinc/17/21/47/364172147.db2.gz NWPWSFRGJMMGFS-UHFFFAOYSA-N 1 0 307.354 1.266 20 5 DDBDRO Cc1c(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)cnn1C ZINC000566111199 304118833 /nfs/dbraw/zinc/11/88/33/304118833.db2.gz ADYUSBKMKMCMPR-AWEZNQCLSA-N 1 0 320.349 1.166 20 5 DDBDRO CCC[C@@H]1C[NH2+]CCN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000359219618 299361439 /nfs/dbraw/zinc/36/14/39/299361439.db2.gz BUEMSOQJHNPUSG-CYBMUJFWSA-N 1 0 307.350 1.574 20 5 DDBDRO Cc1c(C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)cccc1[N+](=O)[O-] ZINC000261607561 203079425 /nfs/dbraw/zinc/07/94/25/203079425.db2.gz AQAUBPZJKBDMOB-ZDUSSCGKSA-N 1 0 318.377 1.023 20 5 DDBDRO C[NH2+][C@@H](C)CNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000261833392 203130128 /nfs/dbraw/zinc/13/01/28/203130128.db2.gz VNPVLOJFXGTOIQ-QMMMGPOBSA-N 1 0 304.306 1.186 20 5 DDBDRO C[C@H]1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000261927632 203153739 /nfs/dbraw/zinc/15/37/39/203153739.db2.gz ZOJLNLVZNPHYEI-QWHCGFSZSA-N 1 0 320.393 1.983 20 5 DDBDRO COc1ccc(C(=O)N2CCC[C@@H](CC[NH3+])C2)cc1[N+](=O)[O-] ZINC000262005563 203172239 /nfs/dbraw/zinc/17/22/39/203172239.db2.gz VTKAZATWLYPCIR-NSHDSACASA-N 1 0 307.350 1.804 20 5 DDBDRO C[NH2+]CCC1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000262044603 203182240 /nfs/dbraw/zinc/18/22/40/203182240.db2.gz LWBZBKTXZPNKQT-UHFFFAOYSA-N 1 0 320.393 1.855 20 5 DDBDRO [NH3+]CC1(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000262323501 203260982 /nfs/dbraw/zinc/26/09/82/203260982.db2.gz RIXYALNGHIUJNK-UHFFFAOYSA-N 1 0 307.350 1.009 20 5 DDBDRO CN(C)C(=O)NCC[N@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000350049649 284138776 /nfs/dbraw/zinc/13/87/76/284138776.db2.gz QLSJTQUSYRYXPU-VURMDHGXSA-N 1 0 306.366 1.811 20 5 DDBDRO COCC1(CNC(=O)c2cccc([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000262534968 203321520 /nfs/dbraw/zinc/32/15/20/203321520.db2.gz QGJMYQQJODFJJA-UHFFFAOYSA-N 1 0 307.350 1.341 20 5 DDBDRO COc1cc(C(=O)N[C@H]2CC[C@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000093990862 193336268 /nfs/dbraw/zinc/33/62/68/193336268.db2.gz GNIZZEIONOBHAQ-RYUDHWBXSA-N 1 0 307.350 1.816 20 5 DDBDRO CS[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C[C@@H]1[NH+]1CCCC1 ZINC000274977253 212053437 /nfs/dbraw/zinc/05/34/37/212053437.db2.gz BEJLSWMTYBERAA-NWDGAFQWSA-N 1 0 324.406 1.575 20 5 DDBDRO CC[N@@H+]1CCCN(C(=O)c2cc(OC)ccc2[N+](=O)[O-])CC1 ZINC000264731073 204111916 /nfs/dbraw/zinc/11/19/16/204111916.db2.gz HXUYMPXAPFJXNP-UHFFFAOYSA-N 1 0 307.350 1.771 20 5 DDBDRO C[C@@H](O)C1CC[NH+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000264731290 204112299 /nfs/dbraw/zinc/11/22/99/204112299.db2.gz POJNKIGCSORZQE-IUODEOHRSA-N 1 0 324.377 1.427 20 5 DDBDRO Cc1nn(C)c(C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000288382075 220121561 /nfs/dbraw/zinc/12/15/61/220121561.db2.gz LUXDJURGMBVELM-JQWIXIFHSA-N 1 0 321.381 1.336 20 5 DDBDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000161224967 197476139 /nfs/dbraw/zinc/47/61/39/197476139.db2.gz VHELNVNKXXGLRX-ZDUSSCGKSA-N 1 0 318.377 1.993 20 5 DDBDRO Cc1ccc(NCCCNC(=O)[C@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000160485400 197414558 /nfs/dbraw/zinc/41/45/58/197414558.db2.gz OIFKHYMTEVESLH-LBPRGKRZSA-N 1 0 306.366 1.431 20 5 DDBDRO CC[NH+]1CCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000023991163 182371577 /nfs/dbraw/zinc/37/15/77/182371577.db2.gz YNEYSHOXILONEH-GFCCVEGCSA-N 1 0 306.366 1.559 20 5 DDBDRO CCC[N@H+](CC)CCNC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000174646604 248373073 /nfs/dbraw/zinc/37/30/73/248373073.db2.gz ZDNXYYLOAMEKLN-UHFFFAOYSA-N 1 0 322.409 1.879 20 5 DDBDRO COc1ccccc1CC[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000174847597 248384618 /nfs/dbraw/zinc/38/46/18/248384618.db2.gz KYYIEJQQXLGAMA-UHFFFAOYSA-N 1 0 304.350 1.974 20 5 DDBDRO COC(=O)c1cn(CC[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)nn1 ZINC000284591607 218092199 /nfs/dbraw/zinc/09/21/99/218092199.db2.gz XZUADRCRZTZAAU-JTQLQIEISA-N 1 0 319.321 1.324 20 5 DDBDRO C[C@@H]([NH2+][C@H](C)c1cn[nH]c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000273922544 211178293 /nfs/dbraw/zinc/17/82/93/211178293.db2.gz BOJJHKNYHUGBCP-NXEZZACHSA-N 1 0 303.322 1.996 20 5 DDBDRO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000285240872 218347034 /nfs/dbraw/zinc/34/70/34/218347034.db2.gz GNSPREPQTOQPNP-NSHDSACASA-N 1 0 307.354 1.408 20 5 DDBDRO CCCc1n[nH]c(C(=O)NC[C@@H](C2CC2)[NH+](C)C)c1[N+](=O)[O-] ZINC000109619795 194277512 /nfs/dbraw/zinc/27/75/12/194277512.db2.gz IFTOCSBSHPFORW-NSHDSACASA-N 1 0 309.370 1.340 20 5 DDBDRO Cc1c([C@H](C)[NH2+]CCCS(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000268957226 207121505 /nfs/dbraw/zinc/12/15/05/207121505.db2.gz YZZBCQDJQIXOHD-NSHDSACASA-N 1 0 300.380 1.989 20 5 DDBDRO C[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1N)[C@H]1CCC[NH2+]C1 ZINC000269171088 207292717 /nfs/dbraw/zinc/29/27/17/207292717.db2.gz FMKCBZDZWLCABT-BDAKNGLRSA-N 1 0 310.329 1.434 20 5 DDBDRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000417764966 532982857 /nfs/dbraw/zinc/98/28/57/532982857.db2.gz NEBHJFWZUPFLMB-TZMCWYRMSA-N 1 0 320.393 1.906 20 5 DDBDRO Cc1n[nH]c(C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)c1[N+](=O)[O-] ZINC000270063297 208120955 /nfs/dbraw/zinc/12/09/55/208120955.db2.gz FPBBLVHPRAUKEW-GFCCVEGCSA-N 1 0 321.381 1.430 20 5 DDBDRO COc1ccc(C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)cc1[N+](=O)[O-] ZINC000272944065 210328861 /nfs/dbraw/zinc/32/88/61/210328861.db2.gz MEKOGDSSZPPAPL-LLVKDONJSA-N 1 0 319.361 1.984 20 5 DDBDRO O=[N+]([O-])c1cnc(NC[C@@H](O)C[NH+]2CCCCC2)c(Cl)c1 ZINC000122627383 285180300 /nfs/dbraw/zinc/18/03/00/285180300.db2.gz COMKEDRNUZGCSX-LLVKDONJSA-N 1 0 314.773 1.902 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H](F)C1 ZINC000451199593 533137900 /nfs/dbraw/zinc/13/79/00/533137900.db2.gz RGIFCSRBVPCBFO-JTQLQIEISA-N 1 0 311.313 1.976 20 5 DDBDRO C[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H]1CCC[C@@H]1O ZINC000352692823 285232456 /nfs/dbraw/zinc/23/24/56/285232456.db2.gz GZAWORRXVKCKKC-KBPBESRZSA-N 1 0 308.334 1.807 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CN[C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000422711135 533222770 /nfs/dbraw/zinc/22/27/70/533222770.db2.gz GRAUZRNZMPFUIJ-WCQYABFASA-N 1 0 309.366 1.460 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000414656459 533227110 /nfs/dbraw/zinc/22/71/10/533227110.db2.gz MXTWLUDYEMBJOU-UWVGGRQHSA-N 1 0 308.338 1.852 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000414653163 224368900 /nfs/dbraw/zinc/36/89/00/224368900.db2.gz HPPAUFFWPOEYRY-LLVKDONJSA-N 1 0 324.337 1.103 20 5 DDBDRO CNC(=O)CN1CCC([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000121794757 195349003 /nfs/dbraw/zinc/34/90/03/195349003.db2.gz AHVULSHNIUHOSJ-LBPRGKRZSA-N 1 0 320.393 1.456 20 5 DDBDRO COc1cccc(C(=O)NC[C@@H](C2CC2)[NH+](C)C)c1[N+](=O)[O-] ZINC000444036894 533408336 /nfs/dbraw/zinc/40/83/36/533408336.db2.gz UOKJBOXVBGPUCC-LBPRGKRZSA-N 1 0 307.350 1.673 20 5 DDBDRO COc1cc(C(=O)NCCC[C@H]2CCC[NH2+]2)ccc1[N+](=O)[O-] ZINC000294713824 533534537 /nfs/dbraw/zinc/53/45/37/533534537.db2.gz AITGJTKTBTWMNY-GFCCVEGCSA-N 1 0 307.350 1.865 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CCC[NH2+]C2)cc1C ZINC000071397252 291992564 /nfs/dbraw/zinc/99/25/64/291992564.db2.gz PQUIAJGUEUMIJX-LLVKDONJSA-N 1 0 313.379 1.242 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC[C@@H]([NH3+])C2)c1C ZINC000019230875 291994226 /nfs/dbraw/zinc/99/42/26/291994226.db2.gz BOSXQXOQKZIVHF-LLVKDONJSA-N 1 0 313.379 1.323 20 5 DDBDRO O=[N+]([O-])c1ccccc1N1CCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000261953091 296514928 /nfs/dbraw/zinc/51/49/28/296514928.db2.gz OHSUIGBCKLMTMA-CQSZACIVSA-N 1 0 304.394 1.716 20 5 DDBDRO COc1cc(C(=O)N2CC[C@H](C[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000114400288 407568957 /nfs/dbraw/zinc/56/89/57/407568957.db2.gz KOYZRMFVOAZFPI-LLVKDONJSA-N 1 0 307.350 1.627 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2CCCC(F)(F)C2)c1 ZINC000514825348 307402663 /nfs/dbraw/zinc/40/26/63/307402663.db2.gz RMTUYRVZXCLSQS-GXSJLCMTSA-N 1 0 304.297 1.320 20 5 DDBDRO Nc1c(C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)cc(F)cc1[N+](=O)[O-] ZINC000361082103 299799450 /nfs/dbraw/zinc/79/94/50/299799450.db2.gz UIOBKXOYLDJSNN-CMPLNLGQSA-N 1 0 322.340 1.434 20 5 DDBDRO C[C@@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000070173606 406810454 /nfs/dbraw/zinc/81/04/54/406810454.db2.gz ANCCUTYBBFLEHV-GHMZBOCLSA-N 1 0 313.379 1.343 20 5 DDBDRO C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])CCN1CCOCC1 ZINC000092974696 407193371 /nfs/dbraw/zinc/19/33/71/407193371.db2.gz WDAYHAZRIKAWCK-GQCTYLIASA-N 1 0 305.378 1.872 20 5 DDBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@]1(O)CCOC1)C1CC1 ZINC000090848506 407172532 /nfs/dbraw/zinc/17/25/32/407172532.db2.gz PVKFMZQYTAHQQW-GDBMZVCRSA-N 1 0 306.362 1.657 20 5 DDBDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000063693018 407234308 /nfs/dbraw/zinc/23/43/08/407234308.db2.gz ULHQOSXDNYIFJD-GFCCVEGCSA-N 1 0 309.370 1.028 20 5 DDBDRO CC[NH+](CC)[C@H](C)CNS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000066327755 407248464 /nfs/dbraw/zinc/24/84/64/407248464.db2.gz BQRWTCHLQLFSNP-SECBINFHSA-N 1 0 321.424 1.665 20 5 DDBDRO COC[C@@](C)(CC(=O)OC)NCc1ccc([N+](=O)[O-])cc1F ZINC000123466185 407329631 /nfs/dbraw/zinc/32/96/31/407329631.db2.gz APGDAEPDWIYXQB-CQSZACIVSA-N 1 0 314.313 1.792 20 5 DDBDRO COc1cc(C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000109066005 407394561 /nfs/dbraw/zinc/39/45/61/407394561.db2.gz DZZDZKZGGHNRDV-NXEZZACHSA-N 1 0 323.349 1.434 20 5 DDBDRO CCCC[N@H+](C)CCNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000112309288 407425525 /nfs/dbraw/zinc/42/55/25/407425525.db2.gz JBFAJZRUFIBJHC-UHFFFAOYSA-N 1 0 311.386 1.375 20 5 DDBDRO C[NH2+]CCCN(C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000127100982 407427851 /nfs/dbraw/zinc/42/78/51/407427851.db2.gz CKVRVMLCZVVLLY-UHFFFAOYSA-N 1 0 301.368 1.133 20 5 DDBDRO C[C@H]([NH3+])CCNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000178613985 407510141 /nfs/dbraw/zinc/51/01/41/407510141.db2.gz LVQIIJQTSKEBMP-JTQLQIEISA-N 1 0 303.322 1.248 20 5 DDBDRO C[NH2+][C@H]1CCCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000261671296 407574550 /nfs/dbraw/zinc/57/45/50/407574550.db2.gz CAWIQRAQJAPZNI-YPMHNXCESA-N 1 0 306.366 1.606 20 5 DDBDRO C[C@@H]([NH3+])CCNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000178621288 407513550 /nfs/dbraw/zinc/51/35/50/407513550.db2.gz ZLOXINNBRXVUJS-SSDOTTSWSA-N 1 0 316.155 1.824 20 5 DDBDRO CS[C@@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)C[C@H]1[NH+](C)C ZINC000271122555 407525700 /nfs/dbraw/zinc/52/57/00/407525700.db2.gz LBYGTYVTOWNOMU-NXEZZACHSA-N 1 0 315.420 1.774 20 5 DDBDRO CN(CC(=O)N(C)[C@H]1CCC[N@H+](C)C1)c1ccccc1[N+](=O)[O-] ZINC000266333749 407537515 /nfs/dbraw/zinc/53/75/15/407537515.db2.gz WJELZZUJZGSIGL-ZDUSSCGKSA-N 1 0 320.393 1.584 20 5 DDBDRO C[N@@H+](Cc1ccc(Cl)cc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266381960 407538165 /nfs/dbraw/zinc/53/81/65/407538165.db2.gz AXAXNQDQOGCESE-AWEZNQCLSA-N 1 0 324.768 1.938 20 5 DDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000261753855 407601307 /nfs/dbraw/zinc/60/13/07/407601307.db2.gz UEDKKARHYRYEPD-CYBMUJFWSA-N 1 0 313.379 1.263 20 5 DDBDRO COc1cc(C(=O)N2CCC([C@@H](C)[NH3+])CC2)ccc1[N+](=O)[O-] ZINC000178832585 407619915 /nfs/dbraw/zinc/61/99/15/407619915.db2.gz YNHWQZMSRAKDEW-SNVBAGLBSA-N 1 0 307.350 1.803 20 5 DDBDRO CC[N@H+](C)CCNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000271304598 407627477 /nfs/dbraw/zinc/62/74/77/407627477.db2.gz JQGLWVZHMYRODT-UHFFFAOYSA-N 1 0 309.351 1.281 20 5 DDBDRO Cc1ccc(S(=O)(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000228157337 407645749 /nfs/dbraw/zinc/64/57/49/407645749.db2.gz JVHYVGOZYPSKFB-WDEREUQCSA-N 1 0 313.379 1.261 20 5 DDBDRO C[C@@H]1CCCN(CC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]1C[NH3+] ZINC000261865721 407646523 /nfs/dbraw/zinc/64/65/23/407646523.db2.gz GLQLAUPDMYEUBU-RISCZKNCSA-N 1 0 306.366 1.593 20 5 DDBDRO C[C@H]([NH2+]CCCN1CCC[C@H]1C(N)=O)c1cccc([N+](=O)[O-])c1 ZINC000266820974 407648293 /nfs/dbraw/zinc/64/82/93/407648293.db2.gz ZDLAJTJCQAGOIE-WFASDCNBSA-N 1 0 320.393 1.585 20 5 DDBDRO C[C@@H]([NH3+])C1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000261929096 407676072 /nfs/dbraw/zinc/67/60/72/407676072.db2.gz JGTCURXTKDDIQS-LLVKDONJSA-N 1 0 306.366 1.593 20 5 DDBDRO COCCN(CC[NH+](C)C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000171648918 407729862 /nfs/dbraw/zinc/72/98/62/407729862.db2.gz FGVXTMKFURXXCF-UHFFFAOYSA-N 1 0 310.354 1.637 20 5 DDBDRO [NH3+]C[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000236284808 407725474 /nfs/dbraw/zinc/72/54/74/407725474.db2.gz RUUIDBFVWODELP-CYBMUJFWSA-N 1 0 313.379 1.391 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCCC[C@H]1CO ZINC000153098583 407753694 /nfs/dbraw/zinc/75/36/94/407753694.db2.gz RHMFVZQBCJPCIV-LBPRGKRZSA-N 1 0 323.349 1.389 20 5 DDBDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000186705397 407749337 /nfs/dbraw/zinc/74/93/37/407749337.db2.gz XPIMQBQFJJMELX-DGCLKSJQSA-N 1 0 306.366 1.511 20 5 DDBDRO CCC(CC)(C[NH3+])NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000236816793 407776353 /nfs/dbraw/zinc/77/63/53/407776353.db2.gz SDOBZIVZBSMDEL-UHFFFAOYSA-N 1 0 315.395 1.532 20 5 DDBDRO C[NH+](C)[C@@]1(CNC(=O)Cc2ccccc2[N+](=O)[O-])CCSC1 ZINC000267148711 407767991 /nfs/dbraw/zinc/76/79/91/407767991.db2.gz WENMHZAXTRPPAH-OAHLLOKOSA-N 1 0 323.418 1.691 20 5 DDBDRO COC[C@@]1(CNC(=O)Cc2ccccc2[N+](=O)[O-])CCC[NH2+]1 ZINC000262556824 407866468 /nfs/dbraw/zinc/86/64/68/407866468.db2.gz UKQWFTJDCNVMAC-HNNXBMFYSA-N 1 0 307.350 1.022 20 5 DDBDRO [NH3+]C[C@@H](NC(=O)CCCNc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000238054665 407877264 /nfs/dbraw/zinc/87/72/64/407877264.db2.gz FKYFUTMSQZYXQY-CQSZACIVSA-N 1 0 306.366 1.640 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262617630 407881576 /nfs/dbraw/zinc/88/15/76/407881576.db2.gz ZIJOSQCDODTPDJ-MNOVXSKESA-N 1 0 305.334 1.570 20 5 DDBDRO [NH3+]C1(CNC(=O)COc2ccccc2[N+](=O)[O-])CCCCC1 ZINC000237827812 407844610 /nfs/dbraw/zinc/84/46/10/407844610.db2.gz FSZGGMMOEGNMPP-UHFFFAOYSA-N 1 0 307.350 1.751 20 5 DDBDRO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000262774913 407925055 /nfs/dbraw/zinc/92/50/55/407925055.db2.gz KQSGYQVXJGYYBE-WDEREUQCSA-N 1 0 309.391 1.896 20 5 DDBDRO O=C(NC[C@H]1CC[NH2+]C1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000273029838 408027881 /nfs/dbraw/zinc/02/78/81/408027881.db2.gz MPRXTUBVPBUULY-NSHDSACASA-N 1 0 315.333 1.120 20 5 DDBDRO Cn1ncc2c1CCC[C@@H]2[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000135561204 408031455 /nfs/dbraw/zinc/03/14/55/408031455.db2.gz NVECDCTZMCOIPT-LBPRGKRZSA-N 1 0 304.354 1.534 20 5 DDBDRO C[C@@H](NC(=O)CNc1ccccc1[N+](=O)[O-])C1=CC[N@H+](C)CC1 ZINC000273060355 408038620 /nfs/dbraw/zinc/03/86/20/408038620.db2.gz YJKRMQOLEQXAJS-GFCCVEGCSA-N 1 0 318.377 1.773 20 5 DDBDRO COCC[N@H+](C)CCNC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000119440136 408070466 /nfs/dbraw/zinc/07/04/66/408070466.db2.gz ZJYZFBNUKLGITF-UHFFFAOYSA-N 1 0 309.366 1.140 20 5 DDBDRO COC[C@H]([NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000136650331 408117338 /nfs/dbraw/zinc/11/73/38/408117338.db2.gz SMHOVADPEDMQJX-HZMBPMFUSA-N 1 0 307.350 1.936 20 5 DDBDRO C[C@@H](O)C[N@@H+]1CCN(CCc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000189572957 408055920 /nfs/dbraw/zinc/05/59/20/408055920.db2.gz OQOOYPUHRYIPNQ-UONOGXRCSA-N 1 0 307.394 1.524 20 5 DDBDRO CC[N@H+](CCNc1ccc(C(=O)NC)cc1[N+](=O)[O-])C1CC1 ZINC000263754745 408241309 /nfs/dbraw/zinc/24/13/09/408241309.db2.gz QEAMIDUODBLFJN-UHFFFAOYSA-N 1 0 306.366 1.851 20 5 DDBDRO C[C@H](CC[NH+](C)C)NC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000263791735 408257960 /nfs/dbraw/zinc/25/79/60/408257960.db2.gz YKNPJISKOIQEKR-GFCCVEGCSA-N 1 0 308.382 1.777 20 5 DDBDRO CC[C@H]1CN(c2ccc([N+](=O)[O-])c(C)n2)CC[N@@H+]1CCOC ZINC000150768386 408196722 /nfs/dbraw/zinc/19/67/22/408196722.db2.gz ONSMJZDDWHBYTP-ZDUSSCGKSA-N 1 0 308.382 1.845 20 5 DDBDRO COC(=O)[C@@H](C)C[N@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000246371218 408235602 /nfs/dbraw/zinc/23/56/02/408235602.db2.gz LVUMSQJTJSQXSU-WDEREUQCSA-N 1 0 323.349 1.663 20 5 DDBDRO C[C@@H](O)[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000183195844 408350032 /nfs/dbraw/zinc/35/00/32/408350032.db2.gz CMCIEMWMFLZBEV-TUAOUCFPSA-N 1 0 307.350 1.625 20 5 DDBDRO CN(C)C(=O)C1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000269681883 408390015 /nfs/dbraw/zinc/39/00/15/408390015.db2.gz YGBJDJRWTHVADI-OAHLLOKOSA-N 1 0 321.377 1.428 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@]1(O)CCSC1 ZINC000176751518 408432202 /nfs/dbraw/zinc/43/22/02/408432202.db2.gz SMTHIPXRWCELQB-CQSZACIVSA-N 1 0 312.391 1.951 20 5 DDBDRO Cc1ccc(NCCCNC(=O)[C@]2(C)CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000160483141 408485953 /nfs/dbraw/zinc/48/59/53/408485953.db2.gz BRBYYWHKEKEKMU-MRXNPFEDSA-N 1 0 320.393 1.821 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCC1CC[NH+](CCO)CC1 ZINC000160669171 408510636 /nfs/dbraw/zinc/51/06/36/408510636.db2.gz STBUDRNDKAHDHT-UHFFFAOYSA-N 1 0 321.377 1.337 20 5 DDBDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000160698603 408514830 /nfs/dbraw/zinc/51/48/30/408514830.db2.gz JFGADVHGDPMOIU-AWEZNQCLSA-N 1 0 307.350 1.171 20 5 DDBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000176872633 408462161 /nfs/dbraw/zinc/46/21/61/408462161.db2.gz FWBYOLKGXQJDHN-CQSZACIVSA-N 1 0 323.393 1.990 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@@H]2c2ccncc2)c1 ZINC000270544558 408573481 /nfs/dbraw/zinc/57/34/81/408573481.db2.gz MBWJOXNFVCFQGS-LSDHHAIUSA-N 1 0 317.349 1.384 20 5 DDBDRO CC1(O)CC[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000177339706 408584416 /nfs/dbraw/zinc/58/44/16/408584416.db2.gz VJOQCMQCMCGSIQ-UHFFFAOYSA-N 1 0 307.350 1.770 20 5 DDBDRO COc1cccc(C(=O)N2CCO[C@@H](C[NH+](C)C)C2)c1[N+](=O)[O-] ZINC000192584901 408614371 /nfs/dbraw/zinc/61/43/71/408614371.db2.gz WAEPTQYAYLERTD-NSHDSACASA-N 1 0 323.349 1.006 20 5 DDBDRO Cc1cnc(N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000275601602 408615565 /nfs/dbraw/zinc/61/55/65/408615565.db2.gz SHSDEBPTEUOFQE-LBPRGKRZSA-N 1 0 308.382 1.580 20 5 DDBDRO Cn1c(Sc2ccc([N+](=O)[O-])cn2)nnc1[C@H]1CCC[NH2+]C1 ZINC000265496770 408673086 /nfs/dbraw/zinc/67/30/86/408673086.db2.gz WZRIYZDENKGBOP-VIFPVBQESA-N 1 0 320.378 1.737 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@@H](C)[C@@H]([NH+](C)C)C1 ZINC000270677219 408631505 /nfs/dbraw/zinc/63/15/05/408631505.db2.gz SXANYILMDZSADA-DOMZBBRYSA-N 1 0 320.393 1.724 20 5 DDBDRO Cc1nn(C)c(C(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000270736707 408657147 /nfs/dbraw/zinc/65/71/47/408657147.db2.gz BOOMWTGAMQCCNG-LLVKDONJSA-N 1 0 323.397 1.439 20 5 DDBDRO Cc1cc(C(=O)N(C)CC[C@@H]([NH3+])C(C)C)c(N)c([N+](=O)[O-])c1 ZINC000162029053 408663061 /nfs/dbraw/zinc/66/30/61/408663061.db2.gz CVUHXUXPQSVWDR-GFCCVEGCSA-N 1 0 308.382 1.931 20 5 DDBDRO Nc1c(C(=O)N2CC[NH+](CC3CC3)CC2)cccc1[N+](=O)[O-] ZINC000178172059 408783611 /nfs/dbraw/zinc/78/36/11/408783611.db2.gz QEXLPZBNPCNHKS-UHFFFAOYSA-N 1 0 304.350 1.345 20 5 DDBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N1CC[NH+]2CCC1CC2 ZINC000188826235 163071895 /nfs/dbraw/zinc/07/18/95/163071895.db2.gz DZQORMZVSLLWGG-UHFFFAOYSA-N 1 0 318.377 1.703 20 5 DDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC1=CC[NH2+]CC1 ZINC000189296553 163092896 /nfs/dbraw/zinc/09/28/96/163092896.db2.gz LMEUOFSNPZSGSZ-UHFFFAOYSA-N 1 0 311.363 1.101 20 5 DDBDRO Nc1ccc([N+](=O)[O-])c(N2CC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000192795852 163238404 /nfs/dbraw/zinc/23/84/04/163238404.db2.gz AAVSBROGWOZUOZ-GFCCVEGCSA-N 1 0 306.366 1.336 20 5 DDBDRO Cc1nn(C)c(C(=O)NCC[NH+]2CCCCCC2)c1[N+](=O)[O-] ZINC000194189083 163277613 /nfs/dbraw/zinc/27/76/13/163277613.db2.gz KGFJYASMFFOCFV-UHFFFAOYSA-N 1 0 309.370 1.243 20 5 DDBDRO O=c1[nH]c(NCC[NH+]2CCCC2)nc2ccc([N+](=O)[O-])cc21 ZINC000286157066 408932949 /nfs/dbraw/zinc/93/29/49/408932949.db2.gz BYIBFJIIXUNQQL-UHFFFAOYSA-N 1 0 303.322 1.751 20 5 DDBDRO C[C@@H](C[NH+](C)C)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000286874025 409000821 /nfs/dbraw/zinc/00/08/21/409000821.db2.gz DPFKSRGMJAPMJZ-VIFPVBQESA-N 1 0 309.322 1.046 20 5 DDBDRO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000277500203 408952023 /nfs/dbraw/zinc/95/20/23/408952023.db2.gz PAAIEGIWZIAWKD-DTWKUNHWSA-N 1 0 308.294 1.325 20 5 DDBDRO COc1ccc(C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)cc1[N+](=O)[O-] ZINC000292269748 409013123 /nfs/dbraw/zinc/01/31/23/409013123.db2.gz QARTYDXPLQBCIV-MRXNPFEDSA-N 1 0 319.361 1.771 20 5 DDBDRO Cn1nncc1C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000287385820 409029826 /nfs/dbraw/zinc/02/98/26/409029826.db2.gz PTGOYWCYYHCXKX-AWEZNQCLSA-N 1 0 301.350 1.834 20 5 DDBDRO CS[C@H]1CN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H]1[NH+](C)C ZINC000278165312 409075883 /nfs/dbraw/zinc/07/58/83/409075883.db2.gz ASWWARPGLORLCY-OLZOCXBDSA-N 1 0 321.406 1.953 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000278865668 409103904 /nfs/dbraw/zinc/10/39/04/409103904.db2.gz LRSGUBJFWFIMEE-OAHLLOKOSA-N 1 0 305.334 1.315 20 5 DDBDRO CN(CC1([NH+](C)C)CCC1)C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000283254110 409122097 /nfs/dbraw/zinc/12/20/97/409122097.db2.gz UUKVVKNDZXMOJK-UHFFFAOYSA-N 1 0 324.356 1.872 20 5 DDBDRO C[C@H]([NH2+]CCCc1cnn(C)n1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293588540 409143397 /nfs/dbraw/zinc/14/33/97/409143397.db2.gz CNCHBCDUDCKYNH-JTQLQIEISA-N 1 0 304.354 1.589 20 5 DDBDRO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC[N@@H+](C2CCC2)C1 ZINC000293604298 409146283 /nfs/dbraw/zinc/14/62/83/409146283.db2.gz DCMHEUKNMJIJKT-SNVBAGLBSA-N 1 0 307.354 1.264 20 5 DDBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H](C)CN1CCOCC1 ZINC000283575636 409179044 /nfs/dbraw/zinc/17/90/44/409179044.db2.gz ONENDNKOSUEWEL-NSHDSACASA-N 1 0 307.350 1.930 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000261763740 163698828 /nfs/dbraw/zinc/69/88/28/163698828.db2.gz VFGNFVGNLCUBHZ-CYBMUJFWSA-N 1 0 313.379 1.263 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C)C[NH+](C)C)c1 ZINC000293945206 409211162 /nfs/dbraw/zinc/21/11/62/409211162.db2.gz VDPCZYRSAPGMPV-NSHDSACASA-N 1 0 309.366 1.921 20 5 DDBDRO C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)C[N@@H+]1C1CC1 ZINC000279492341 409223706 /nfs/dbraw/zinc/22/37/06/409223706.db2.gz RSEFPJUUPNLAIC-RKDXNWHRSA-N 1 0 322.340 1.671 20 5 DDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000289208251 409233367 /nfs/dbraw/zinc/23/33/67/409233367.db2.gz KFHYVOIFXCPWLW-MRXNPFEDSA-N 1 0 303.362 1.739 20 5 DDBDRO Nc1c(C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)cc(F)cc1[N+](=O)[O-] ZINC000289303917 409246197 /nfs/dbraw/zinc/24/61/97/409246197.db2.gz SKWKESUKAAEWKH-OAHLLOKOSA-N 1 0 322.340 1.532 20 5 DDBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N1CCC[N@H+](CCO)CC1 ZINC000283977274 409250637 /nfs/dbraw/zinc/25/06/37/409250637.db2.gz ZRNURLKZDZZHSD-UHFFFAOYSA-N 1 0 307.350 1.302 20 5 DDBDRO O=[N+]([O-])c1cccc(S(=O)(=O)N(C2CC2)[C@H]2CC[NH2+]C2)c1 ZINC000262034835 163753959 /nfs/dbraw/zinc/75/39/59/163753959.db2.gz KIFPWKAJXARXGA-LBPRGKRZSA-N 1 0 311.363 1.110 20 5 DDBDRO COc1cc(C(=O)NCC(C)(C)[NH+](C)C)c([N+](=O)[O-])cc1F ZINC000294177292 409255275 /nfs/dbraw/zinc/25/52/75/409255275.db2.gz ABFFZFDPRCQLQK-UHFFFAOYSA-N 1 0 313.329 1.813 20 5 DDBDRO NC(=O)[C@H]1CCCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000284020302 409259082 /nfs/dbraw/zinc/25/90/82/409259082.db2.gz HSYYTEHKZQMAGE-NWDGAFQWSA-N 1 0 322.321 1.637 20 5 DDBDRO C[C@]1(C(N)=O)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000280274026 409282878 /nfs/dbraw/zinc/28/28/78/409282878.db2.gz MWOGCSFGFNYAOQ-ZDUSSCGKSA-N 1 0 308.294 1.200 20 5 DDBDRO O=C(NCC[C@@H]1CC[NH2+]C1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000579834790 422841409 /nfs/dbraw/zinc/84/14/09/422841409.db2.gz SICXKPSKUQTWAF-JTQLQIEISA-N 1 0 321.333 1.095 20 5 DDBDRO C[N@@H+](Cc1ccccn1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000295243785 409394387 /nfs/dbraw/zinc/39/43/87/409394387.db2.gz YKTZZNBLLJOMGD-OAHLLOKOSA-N 1 0 317.345 1.862 20 5 DDBDRO CN(C)C(=O)C1([NH2+]CCn2cc([N+](=O)[O-])cn2)CCCCC1 ZINC000295156454 409346797 /nfs/dbraw/zinc/34/67/97/409346797.db2.gz OEWPCYYSAWHRGE-UHFFFAOYSA-N 1 0 309.370 1.172 20 5 DDBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1cc([N+](=O)[O-])nn1C ZINC000357056813 164138308 /nfs/dbraw/zinc/13/83/08/164138308.db2.gz XZGLJNYDMVITDQ-NSHDSACASA-N 1 0 309.370 1.275 20 5 DDBDRO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)c1ccc([N+](=O)[O-])n1C ZINC000408182339 164254072 /nfs/dbraw/zinc/25/40/72/164254072.db2.gz JJSXAAJFPIDZKI-RYUDHWBXSA-N 1 0 306.366 1.632 20 5 DDBDRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000353919338 409560895 /nfs/dbraw/zinc/56/08/95/409560895.db2.gz XTXYHJVFFGYCGO-ZDUSSCGKSA-N 1 0 320.393 1.351 20 5 DDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CCNCc2ccccn2)cc1 ZINC000342351062 409586005 /nfs/dbraw/zinc/58/60/05/409586005.db2.gz ZNOVJWKYPKZRGG-UHFFFAOYSA-N 1 0 321.358 1.553 20 5 DDBDRO Cc1cccc(C(=O)NCCNc2cc[nH+]cc2)c1[N+](=O)[O-] ZINC000338071178 409696446 /nfs/dbraw/zinc/69/64/46/409696446.db2.gz UKXCTLJXBVZMHX-UHFFFAOYSA-N 1 0 300.318 1.562 20 5 DDBDRO C[N@H+](CC[C@@H]1CCCO1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000342609860 409763242 /nfs/dbraw/zinc/76/32/42/409763242.db2.gz WGULFFXXYIXQOS-GJZGRUSLSA-N 1 0 324.377 1.835 20 5 DDBDRO C[N@H+](CC[C@H]1CCCO1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000342609862 409763698 /nfs/dbraw/zinc/76/36/98/409763698.db2.gz WGULFFXXYIXQOS-HUUCEWRRSA-N 1 0 324.377 1.835 20 5 DDBDRO C[C@H](C[NH+](C)C)NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000346189247 409855274 /nfs/dbraw/zinc/85/52/74/409855274.db2.gz FWHBJJHTTFGSIM-LLVKDONJSA-N 1 0 317.349 1.460 20 5 DDBDRO C[C@H]([NH2+]CCNC(=O)c1cnccn1)c1ccc([N+](=O)[O-])cc1 ZINC000346802127 410160876 /nfs/dbraw/zinc/16/08/76/410160876.db2.gz UFMIYLYDYOULHH-NSHDSACASA-N 1 0 315.333 1.465 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@@H](C)[C@H](O)C1 ZINC000351787261 410234344 /nfs/dbraw/zinc/23/43/44/410234344.db2.gz YTGXOEZMEGSNIZ-BXUZGUMPSA-N 1 0 307.350 1.544 20 5 DDBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])cnc2N)C[C@@H]1C ZINC000351940184 410352974 /nfs/dbraw/zinc/35/29/74/410352974.db2.gz ZUCYTKUUCNAYSQ-VHSXEESVSA-N 1 0 307.354 1.127 20 5 DDBDRO C[C@H]([NH3+])[C@@H]1CCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000351857905 410293409 /nfs/dbraw/zinc/29/34/09/410293409.db2.gz CSHMVLIHIALLNO-SDDRHHMPSA-N 1 0 306.366 1.591 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[N@@H+]([C@H](C)CO)CC2)c1 ZINC000347152521 410364851 /nfs/dbraw/zinc/36/48/51/410364851.db2.gz YPUXJGUXIIUGCM-CYBMUJFWSA-N 1 0 321.377 1.432 20 5 DDBDRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000298735794 410371112 /nfs/dbraw/zinc/37/11/12/410371112.db2.gz KLTUWDHVYUVGKW-CYBMUJFWSA-N 1 0 321.377 1.964 20 5 DDBDRO C[N@@H+]1CCCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000299123461 410532549 /nfs/dbraw/zinc/53/25/49/410532549.db2.gz WZFZFRVGHFYIDT-UHFFFAOYSA-N 1 0 306.366 1.484 20 5 DDBDRO C[N@@H+]1CCC[C@@H]1CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000299210920 410571451 /nfs/dbraw/zinc/57/14/51/410571451.db2.gz CUKTUDNTPCVFLW-CYBMUJFWSA-N 1 0 313.379 1.108 20 5 DDBDRO CC[N@H+](C[C@H](C)O)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000352202909 410544978 /nfs/dbraw/zinc/54/49/78/410544978.db2.gz NLQALLCWHRECLO-CMPLNLGQSA-N 1 0 309.366 1.933 20 5 DDBDRO C[C@H]1C[C@@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000352952637 410697774 /nfs/dbraw/zinc/69/77/74/410697774.db2.gz VXJVMUKNUPRGIM-QWRGUYRKSA-N 1 0 313.379 1.356 20 5 DDBDRO COc1cc(CN2CC[N@H+](C[C@@H](C)O)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000337375107 410744108 /nfs/dbraw/zinc/74/41/08/410744108.db2.gz ZVPPBUKJRAWFPF-CHWSQXEVSA-N 1 0 323.393 1.490 20 5 DDBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000330599616 410815441 /nfs/dbraw/zinc/81/54/41/410815441.db2.gz ULMZLCIZBONOSL-VXGBXAGGSA-N 1 0 307.350 1.525 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@@H]1CCNC1=O ZINC000340222397 410772625 /nfs/dbraw/zinc/77/26/25/410772625.db2.gz MHFIGONZHKTCSP-CYBMUJFWSA-N 1 0 320.349 1.052 20 5 DDBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000330586594 410801057 /nfs/dbraw/zinc/80/10/57/410801057.db2.gz LTWHXYXSZQRZMB-VXGBXAGGSA-N 1 0 306.366 1.558 20 5 DDBDRO CNC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000348180924 410838635 /nfs/dbraw/zinc/83/86/35/410838635.db2.gz IZPXADJUXWCLMG-NWDGAFQWSA-N 1 0 307.350 1.608 20 5 DDBDRO Cn1cc([N+](=O)[O-])c(C(=O)NCC[N@H+](C)C2CCCCC2)n1 ZINC000330656080 410854271 /nfs/dbraw/zinc/85/42/71/410854271.db2.gz OMMQKXZXTIZKSN-UHFFFAOYSA-N 1 0 309.370 1.323 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H](C)c1cnn(C)c1 ZINC000348323850 410920346 /nfs/dbraw/zinc/92/03/46/410920346.db2.gz PQVGFUNUUZSPDA-LLVKDONJSA-N 1 0 317.349 1.926 20 5 DDBDRO COc1ccc(OCC[N@@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000344054453 410924507 /nfs/dbraw/zinc/92/45/07/410924507.db2.gz IXZSRJJQWUKLAJ-LNSITVRQSA-N 1 0 322.361 1.685 20 5 DDBDRO C[C@@H]1CCC[C@](CNC(=O)c2cc([N+](=O)[O-])nn2C)([NH+](C)C)C1 ZINC000356472459 411048056 /nfs/dbraw/zinc/04/80/56/411048056.db2.gz BDLKVOZTOPMHIK-ABAIWWIYSA-N 1 0 323.397 1.569 20 5 DDBDRO [NH3+][C@@H]1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000129351072 196041691 /nfs/dbraw/zinc/04/16/91/196041691.db2.gz HFBWGSUCFQGMGD-SECBINFHSA-N 1 0 314.139 1.531 20 5 DDBDRO C[NH2+][C@H]1CCCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000133886521 196342789 /nfs/dbraw/zinc/34/27/89/196342789.db2.gz MDAVPOOLKMYVDF-NSHDSACASA-N 1 0 309.391 1.897 20 5 DDBDRO COc1ccc(OCC[N@@H+]2C[C@H](C)[C@@H](CO)C2)c([N+](=O)[O-])c1 ZINC000362086965 307013710 /nfs/dbraw/zinc/01/37/10/307013710.db2.gz LFXAKBUVMMJIAF-NWDGAFQWSA-N 1 0 310.350 1.542 20 5 DDBDRO C[C@@H]1CN(C(=O)NCCc2ccccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000417767716 225432135 /nfs/dbraw/zinc/43/21/35/225432135.db2.gz QUTOWININVZWTJ-YPMHNXCESA-N 1 0 306.366 1.516 20 5 DDBDRO C[NH2+]C[C@@H](C)CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000154704085 221654433 /nfs/dbraw/zinc/65/44/33/221654433.db2.gz RCDFTZFDIXEMLI-GFCCVEGCSA-N 1 0 308.382 1.759 20 5 DDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000373461925 418431236 /nfs/dbraw/zinc/43/12/36/418431236.db2.gz SIWSWKUMUOWVGP-QKPAOTATSA-N 1 0 315.373 1.242 20 5 DDBDRO COCc1cc([N+](=O)[O-])ccc1N1CCC([NH2+]CCO)CC1 ZINC000290910961 222013275 /nfs/dbraw/zinc/01/32/75/222013275.db2.gz GUBROJPOHLDAKY-UHFFFAOYSA-N 1 0 309.366 1.292 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)n1 ZINC000191786299 222109070 /nfs/dbraw/zinc/10/90/70/222109070.db2.gz OMNBMLIDAWKYGX-NSHDSACASA-N 1 0 311.386 1.517 20 5 DDBDRO C=Cn1cc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cn1 ZINC000193983960 222168801 /nfs/dbraw/zinc/16/88/01/222168801.db2.gz MFUWDVPSMQCTKO-ZDUSSCGKSA-N 1 0 314.349 1.973 20 5 DDBDRO CC(C)CN1CCO[C@@H](CNc2ncc([N+](=O)[O-])s2)C1 ZINC000195506418 222203526 /nfs/dbraw/zinc/20/35/26/222203526.db2.gz DVYBRKMCUOAFOQ-JTQLQIEISA-N 1 0 300.384 1.820 20 5 DDBDRO CCc1cnccc1[C@@H](C)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000361133262 418591484 /nfs/dbraw/zinc/59/14/84/418591484.db2.gz VYKSQWKOBJGQFY-BXUZGUMPSA-N 1 0 319.365 1.460 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CCN(CCOc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000375034707 418591798 /nfs/dbraw/zinc/59/17/98/418591798.db2.gz DDUATUHTINATFK-UKRRQHHQSA-N 1 0 305.378 2.000 20 5 DDBDRO CNc1c(C(=O)N(CCOC)CC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000361210319 418605721 /nfs/dbraw/zinc/60/57/21/418605721.db2.gz BFMQELOLJYEHLX-UHFFFAOYSA-N 1 0 324.381 1.287 20 5 DDBDRO CC(C)[N@@H+]1CCO[C@H](C(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000375101093 418606241 /nfs/dbraw/zinc/60/62/41/418606241.db2.gz NHKLCWCAYOHWBE-HNNXBMFYSA-N 1 0 321.377 1.363 20 5 DDBDRO CC1(C)[C@H](O)CC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000361414269 418647914 /nfs/dbraw/zinc/64/79/14/418647914.db2.gz ILSFYHKNTIMSRU-BXUZGUMPSA-N 1 0 310.350 1.180 20 5 DDBDRO COc1ccc(CN2CC[C@H](n3cncn3)C2)cc1[N+](=O)[O-] ZINC000375331650 418628746 /nfs/dbraw/zinc/62/87/46/418628746.db2.gz IUSWRMIFSWAVQI-LBPRGKRZSA-N 1 0 303.322 1.642 20 5 DDBDRO COc1ccc(NC(=O)CC[N@H+]2CC[C@@H](OC)C2)c([N+](=O)[O-])c1 ZINC000361361351 418633839 /nfs/dbraw/zinc/63/38/39/418633839.db2.gz GBAIXFMVJSLITO-GFCCVEGCSA-N 1 0 323.349 1.653 20 5 DDBDRO CC[N@H+](CCNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1)C(C)C ZINC000357256833 418651193 /nfs/dbraw/zinc/65/11/93/418651193.db2.gz AXNTXYKJFBLMQI-UHFFFAOYSA-N 1 0 319.365 2.386 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H]2C(=O)NC[C@H]2C1 ZINC000368230636 418706626 /nfs/dbraw/zinc/70/66/26/418706626.db2.gz DYQZQBXUCHKQSW-GXTWGEPZSA-N 1 0 319.361 1.561 20 5 DDBDRO CCOC[C@@H](O)C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000361884601 418721976 /nfs/dbraw/zinc/72/19/76/418721976.db2.gz DXHPLBDDJBJOOR-GJZGRUSLSA-N 1 0 308.378 1.903 20 5 DDBDRO C[C@@H](CO)[N@@H+]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000375512042 418652736 /nfs/dbraw/zinc/65/27/36/418652736.db2.gz QWDJTWBJORIMIZ-LBPRGKRZSA-N 1 0 322.365 1.515 20 5 DDBDRO CC[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000361593755 418689683 /nfs/dbraw/zinc/68/96/83/418689683.db2.gz HICVYHGTKJRNPY-KGLIPLIRSA-N 1 0 310.350 1.445 20 5 DDBDRO O=C(NCCNc1ccccc1[N+](=O)[O-])[C@@H]1CCCCC[NH2+]1 ZINC000364461193 418777342 /nfs/dbraw/zinc/77/73/42/418777342.db2.gz ACHPPVIWTBMGDC-ZDUSSCGKSA-N 1 0 306.366 1.655 20 5 DDBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1c([N+](=O)[O-])cnn1C ZINC000408103123 418788475 /nfs/dbraw/zinc/78/84/75/418788475.db2.gz KREGURGQMXYBNQ-GHMZBOCLSA-N 1 0 307.354 1.027 20 5 DDBDRO C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000364621816 418794137 /nfs/dbraw/zinc/79/41/37/418794137.db2.gz FBMXTYVBVSNCEX-UZWSLXQKSA-N 1 0 309.391 1.522 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(CC(=O)NC[C@@H](C)[NH+](C)C)c1F ZINC000411372207 418897822 /nfs/dbraw/zinc/89/78/22/418897822.db2.gz BOJDDOCUJGRFSU-SECBINFHSA-N 1 0 313.329 1.351 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CC[C@@](O)(C2CC2)C1 ZINC000365839607 418914541 /nfs/dbraw/zinc/91/45/41/418914541.db2.gz RWJVSIRUOVHXNT-CJNGLKHVSA-N 1 0 322.361 1.181 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)CNc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000372973149 418917597 /nfs/dbraw/zinc/91/75/97/418917597.db2.gz JCTIBSAUMWBMQP-IUODEOHRSA-N 1 0 318.377 1.559 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000425049914 228355101 /nfs/dbraw/zinc/35/51/01/228355101.db2.gz PYQJLYYWWBSAPT-SMDDNHRTSA-N 1 0 304.350 1.464 20 5 DDBDRO CCC([NH3+])(CC)CNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000417953165 419414575 /nfs/dbraw/zinc/41/45/75/419414575.db2.gz YUTMSFISZYCTJW-UHFFFAOYSA-N 1 0 308.382 1.954 20 5 DDBDRO C[C@H](NC(=O)NCC1=CC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1 ZINC000418236070 419638199 /nfs/dbraw/zinc/63/81/99/419638199.db2.gz UAPWIUHTJKRPBW-NSHDSACASA-N 1 0 304.350 1.875 20 5 DDBDRO COc1ccc(C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000421700063 419690342 /nfs/dbraw/zinc/69/03/42/419690342.db2.gz CXXJNMBQJPLKPC-LBPRGKRZSA-N 1 0 307.350 1.770 20 5 DDBDRO C[NH+](C)C1CCC(NC(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000422006684 419804145 /nfs/dbraw/zinc/80/41/45/419804145.db2.gz MFYWQWIXZKEMJR-UHFFFAOYSA-N 1 0 320.393 1.996 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@@](C)(O)CC[NH+](C)C ZINC000422095547 419840650 /nfs/dbraw/zinc/84/06/50/419840650.db2.gz JMWBUPRMZGCDNK-INIZCTEOSA-N 1 0 323.393 1.644 20 5 DDBDRO COc1cc(CN[C@H]2CCC[C@H]([NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000414935428 419881011 /nfs/dbraw/zinc/88/10/11/419881011.db2.gz YLVDDPWAYQVLDL-RYUDHWBXSA-N 1 0 309.366 1.972 20 5 DDBDRO CN(Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@@H](O)C[NH3+] ZINC000415047995 419921739 /nfs/dbraw/zinc/92/17/39/419921739.db2.gz BKHIFYQTCHMVFU-ZDUSSCGKSA-N 1 0 305.334 1.606 20 5 DDBDRO NC(=O)c1ccc(CN(C2CC2)[C@@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000435247468 229368145 /nfs/dbraw/zinc/36/81/45/229368145.db2.gz KYYUPIDWKAWSSY-CYBMUJFWSA-N 1 0 304.350 1.020 20 5 DDBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CNCCO1 ZINC000415091117 419936992 /nfs/dbraw/zinc/93/69/92/419936992.db2.gz BPRLQCBZHQDJDR-BPUTZDHNSA-N 1 0 319.405 1.884 20 5 DDBDRO C[C@@H](NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)[C@H]1CCC[NH2+]C1 ZINC000428983375 419957424 /nfs/dbraw/zinc/95/74/24/419957424.db2.gz VGQZJOBNCGDUMF-MNOVXSKESA-N 1 0 309.370 1.031 20 5 DDBDRO C[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1(CO)CCC1 ZINC000429227233 419987328 /nfs/dbraw/zinc/98/73/28/419987328.db2.gz NWGGWHOFGCSFJQ-ZDUSSCGKSA-N 1 0 310.350 1.181 20 5 DDBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000423355973 420025096 /nfs/dbraw/zinc/02/50/96/420025096.db2.gz GCHPJJCJACRMQK-ZOWXZIJZSA-N 1 0 320.393 1.900 20 5 DDBDRO Cc1ccc(NC(=O)C(=O)N[C@@H](C[NH3+])CC(C)C)cc1[N+](=O)[O-] ZINC000415421621 420058114 /nfs/dbraw/zinc/05/81/14/420058114.db2.gz CVMAPTDXQMBNKA-GFCCVEGCSA-N 1 0 322.365 1.331 20 5 DDBDRO Cc1ccc(NC(=O)C(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000415432964 420063421 /nfs/dbraw/zinc/06/34/21/420063421.db2.gz HSPCNDADSDOFOV-CMPLNLGQSA-N 1 0 320.349 1.037 20 5 DDBDRO Cc1c(NC(=O)C(=O)N2CC[C@H]([NH3+])[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000415448699 420070378 /nfs/dbraw/zinc/07/03/78/420070378.db2.gz JHNSCNSDEYXGEG-KOLCDFICSA-N 1 0 320.349 1.037 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NC1(C)CC[NH2+]CC1 ZINC000415509456 420095140 /nfs/dbraw/zinc/09/51/40/420095140.db2.gz WKTFLXZYIUDATI-UHFFFAOYSA-N 1 0 308.338 1.867 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000423600987 420095172 /nfs/dbraw/zinc/09/51/72/420095172.db2.gz BLFDZYIMGGQPHV-HNNXBMFYSA-N 1 0 307.350 1.804 20 5 DDBDRO CCc1cc(NCC[NH2+]C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000420156036 420135403 /nfs/dbraw/zinc/13/54/03/420135403.db2.gz MEVAAECDDDBCJF-UHFFFAOYSA-N 1 0 301.350 1.667 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1C[NH2+]CCO1 ZINC000415664848 420141023 /nfs/dbraw/zinc/14/10/23/420141023.db2.gz UOROGOPAWNFAII-LLVKDONJSA-N 1 0 324.337 1.103 20 5 DDBDRO COc1cccc(C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1[N+](=O)[O-] ZINC000423530160 420073206 /nfs/dbraw/zinc/07/32/06/420073206.db2.gz WNOLXHFYULTVGA-DRZSPHRISA-N 1 0 319.361 1.803 20 5 DDBDRO COCC[NH2+]CCNC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000415479527 420083999 /nfs/dbraw/zinc/08/39/99/420083999.db2.gz FSWNDYFPVRZBAE-UHFFFAOYSA-N 1 0 310.354 1.569 20 5 DDBDRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000415487456 420086990 /nfs/dbraw/zinc/08/69/90/420086990.db2.gz GSSPDXBWQOZUQV-GFCCVEGCSA-N 1 0 320.349 1.052 20 5 DDBDRO O=[N+]([O-])c1cccc(N2CC[NH+](CC[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000420318202 420202245 /nfs/dbraw/zinc/20/22/45/420202245.db2.gz NUXPHRMFFNQIIE-AWEZNQCLSA-N 1 0 304.394 1.716 20 5 DDBDRO C[NH2+]C[C@H]1CCN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000430915442 420203235 /nfs/dbraw/zinc/20/32/35/420203235.db2.gz CXQYWYUWIZYKLJ-CHWSQXEVSA-N 1 0 320.393 1.772 20 5 DDBDRO C[NH2+]CC1CCN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000430941924 420217137 /nfs/dbraw/zinc/21/71/37/420217137.db2.gz AGMRYHIIOMDZAM-GFCCVEGCSA-N 1 0 320.393 1.853 20 5 DDBDRO CC(C)C[C@H](C[NH3+])Nc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000420183652 420144361 /nfs/dbraw/zinc/14/43/61/420144361.db2.gz IIJDDKASIMVCBK-LLVKDONJSA-N 1 0 305.338 2.430 20 5 DDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NCC[C@H]1CCC[NH2+]C1 ZINC000420217864 420154417 /nfs/dbraw/zinc/15/44/17/420154417.db2.gz XSHQRCNZOQYAKD-LLVKDONJSA-N 1 0 306.366 1.756 20 5 DDBDRO CC1(CNc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC[NH2+]CC1 ZINC000420229264 420158110 /nfs/dbraw/zinc/15/81/10/420158110.db2.gz NKRSCTQLTCQOAI-UHFFFAOYSA-N 1 0 317.349 2.446 20 5 DDBDRO C[NH2+]C[C@H]1CCCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000430643310 420169689 /nfs/dbraw/zinc/16/96/89/420169689.db2.gz XACJAMWTXDPJDH-QWHCGFSZSA-N 1 0 320.393 1.853 20 5 DDBDRO [NH3+]C[C@@H]1CC[C@H](Nc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000420264177 420173286 /nfs/dbraw/zinc/17/32/86/420173286.db2.gz CWXVVIMJCMLXLC-KOLCDFICSA-N 1 0 303.322 2.184 20 5 DDBDRO C[NH2+]C[C@H]1CCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000430972742 420227638 /nfs/dbraw/zinc/22/76/38/420227638.db2.gz UATYWFXPHZBUAV-VXGBXAGGSA-N 1 0 306.366 1.463 20 5 DDBDRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000416296422 420313407 /nfs/dbraw/zinc/31/34/07/420313407.db2.gz NVKSLGUSTQTOLW-CHWSQXEVSA-N 1 0 321.377 1.051 20 5 DDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@@H](O)C(F)F)n1 ZINC000436284846 420318347 /nfs/dbraw/zinc/31/83/47/420318347.db2.gz OCJGSPQUCGUCIY-OPRDCNLKSA-N 1 0 304.297 1.491 20 5 DDBDRO C[C@@H]1CN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C[C@@H]1[NH3+] ZINC000423989985 420294819 /nfs/dbraw/zinc/29/48/19/420294819.db2.gz YYBVIIDKJAFRQC-PWSUYJOCSA-N 1 0 315.333 1.200 20 5 DDBDRO C[C@@H]1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000424003258 420301206 /nfs/dbraw/zinc/30/12/06/420301206.db2.gz DMLHILQUWNFITL-OLZOCXBDSA-N 1 0 320.393 1.840 20 5 DDBDRO CN(CC[NH3+])C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000424001224 420301886 /nfs/dbraw/zinc/30/18/86/420301886.db2.gz GTBLKSHAAYZKHN-UHFFFAOYSA-N 1 0 302.128 1.388 20 5 DDBDRO Cc1ccc(S(=O)(=O)N[C@H](CC[NH3+])C(F)F)c([N+](=O)[O-])c1 ZINC000420464074 420302738 /nfs/dbraw/zinc/30/27/38/420302738.db2.gz OVXAXHKIIBMXLU-MRVPVSSYSA-N 1 0 323.321 1.164 20 5 DDBDRO O=[N+]([O-])c1cnc2ccc(NCCC[NH+]3CCCCC3)nn21 ZINC000301929875 229987721 /nfs/dbraw/zinc/98/77/21/229987721.db2.gz NYEAANYWQIXDFH-UHFFFAOYSA-N 1 0 304.354 1.925 20 5 DDBDRO Cc1sc(S(=O)(=O)NC[C@@H]2CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000416496863 420394773 /nfs/dbraw/zinc/39/47/73/420394773.db2.gz RAAAQMPMCPUICL-VIFPVBQESA-N 1 0 319.408 1.195 20 5 DDBDRO CC[NH+](CC)CC[C@@H](CO)NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000439039798 420477343 /nfs/dbraw/zinc/47/73/43/420477343.db2.gz JLEUMFPRTKKYAO-ZDUSSCGKSA-N 1 0 324.381 1.809 20 5 DDBDRO C[C@@H]1CCC[N@H+](CCNc2cccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000439102608 420479487 /nfs/dbraw/zinc/47/94/87/420479487.db2.gz TXGOKJUPKPOUGA-LLVKDONJSA-N 1 0 306.366 1.838 20 5 DDBDRO C[C@H](C[NH3+])CNS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000440829855 420611217 /nfs/dbraw/zinc/61/12/17/420611217.db2.gz BQZAZCZIAXMYGP-SECBINFHSA-N 1 0 324.362 1.016 20 5 DDBDRO C[C@@H]1C[N@H+](CCO)CCN1c1ncnc2sc([N+](=O)[O-])cc21 ZINC000450950242 420569277 /nfs/dbraw/zinc/56/92/77/420569277.db2.gz CHNONMDLMHPDDN-SECBINFHSA-N 1 0 323.378 1.102 20 5 DDBDRO Cc1c(NC(=O)CC[N@H+]2C[C@H](O)C[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000452068829 420620320 /nfs/dbraw/zinc/62/03/20/420620320.db2.gz PCPCWBCBKNHKGC-WCQYABFASA-N 1 0 321.377 1.935 20 5 DDBDRO C[C@@H]1C[C@H](C[NH3+])CN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000442777255 420713994 /nfs/dbraw/zinc/71/39/94/420713994.db2.gz IQKVSHOXINXLKA-GHMZBOCLSA-N 1 0 317.349 1.814 20 5 DDBDRO COc1ccc(C[NH2+][C@@H]2C[C@H]3CCCCN3C2=O)cc1[N+](=O)[O-] ZINC000453624859 420738273 /nfs/dbraw/zinc/73/82/73/420738273.db2.gz KDGGZFJUMDTAOO-CHWSQXEVSA-N 1 0 319.361 1.846 20 5 DDBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](O)Cn1ccnn1 ZINC000459689387 420847267 /nfs/dbraw/zinc/84/72/67/420847267.db2.gz DKLAERNJGSAXKL-OCCSQVGLSA-N 1 0 319.365 1.158 20 5 DDBDRO C[C@]1(CO)CCC[C@@H]1[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000493652096 420906388 /nfs/dbraw/zinc/90/63/88/420906388.db2.gz FBDDAMUYLBAPMB-UHOFOFEASA-N 1 0 324.377 1.475 20 5 DDBDRO C[C@H]([NH2+]C1CC1)C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000449124359 420954667 /nfs/dbraw/zinc/95/46/67/420954667.db2.gz GMNIKAIVZHQXSM-JQWIXIFHSA-N 1 0 319.365 1.143 20 5 DDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](CO)c1cnn(C)c1 ZINC000449210900 420970913 /nfs/dbraw/zinc/97/09/13/420970913.db2.gz SGUPBGCLYVUFAC-SMDDNHRTSA-N 1 0 304.350 1.583 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCN1CCOCC1 ZINC000449065175 420943058 /nfs/dbraw/zinc/94/30/58/420943058.db2.gz SBKXEEOPPRCEAU-CQSZACIVSA-N 1 0 307.394 1.838 20 5 DDBDRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000487948954 421059556 /nfs/dbraw/zinc/05/95/56/421059556.db2.gz MYWBOJQSNDAASZ-TZMCWYRMSA-N 1 0 305.378 1.793 20 5 DDBDRO CNc1nc(C(=O)N2CCC[C@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000455366544 421002906 /nfs/dbraw/zinc/00/29/06/421002906.db2.gz MKQNLBCBQZBOTA-JTQLQIEISA-N 1 0 307.354 1.198 20 5 DDBDRO C[C@@H]([NH3+])[C@@H](C)NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000449604973 421037094 /nfs/dbraw/zinc/03/70/94/421037094.db2.gz VHXUYBMDXZXLHW-NXEZZACHSA-N 1 0 303.322 1.246 20 5 DDBDRO COc1cc(C(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000449641864 421042423 /nfs/dbraw/zinc/04/24/23/421042423.db2.gz WBZUINBOBHJJBG-CMPLNLGQSA-N 1 0 307.350 1.851 20 5 DDBDRO C[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000488724932 421108835 /nfs/dbraw/zinc/10/88/35/421108835.db2.gz AXHIHJCOCBBSEZ-GHMZBOCLSA-N 1 0 308.334 1.664 20 5 DDBDRO COc1cc(C(=O)N[C@H]2CC[NH2+]C2(C)C)cc([N+](=O)[O-])c1OC ZINC000449752228 421076587 /nfs/dbraw/zinc/07/65/87/421076587.db2.gz MKTQSNUPVHCSPH-LBPRGKRZSA-N 1 0 323.349 1.482 20 5 DDBDRO C[C@H](C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)S(C)(=O)=O ZINC000560002327 421232092 /nfs/dbraw/zinc/23/20/92/421232092.db2.gz CLGXWSIKABQEAG-QMTHXVAHSA-N 1 0 312.391 1.995 20 5 DDBDRO C[C@H]1CC[N@H+](CCNC(=O)CN(C)c2ccccc2[N+](=O)[O-])C1 ZINC000525804610 421303363 /nfs/dbraw/zinc/30/33/63/421303363.db2.gz FHHOMFUTJUKDLI-ZDUSSCGKSA-N 1 0 320.393 1.489 20 5 DDBDRO COc1ccc(CC(=O)NCC2([NH+](C)C)CCC2)cc1[N+](=O)[O-] ZINC000526120997 421331950 /nfs/dbraw/zinc/33/19/50/421331950.db2.gz UGONMXLVFOMRAF-UHFFFAOYSA-N 1 0 321.377 1.746 20 5 DDBDRO C[C@@H](C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000562302204 421349535 /nfs/dbraw/zinc/34/95/35/421349535.db2.gz VLQWCSQZLHUGHS-BNOWGMLFSA-N 1 0 303.362 1.718 20 5 DDBDRO Cn1cc(CN2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)cn1 ZINC000505802154 421421509 /nfs/dbraw/zinc/42/15/09/421421509.db2.gz MARQZYIJHWHHGX-UHFFFAOYSA-N 1 0 315.377 1.646 20 5 DDBDRO CC[C@@H]1C[N@H+](C)CCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000562933253 421428278 /nfs/dbraw/zinc/42/82/78/421428278.db2.gz CLVYUJFESHVXPJ-CYBMUJFWSA-N 1 0 306.366 1.220 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000548403848 421434034 /nfs/dbraw/zinc/43/40/34/421434034.db2.gz HDWYBMFEWHFEPW-CYBMUJFWSA-N 1 0 308.382 1.784 20 5 DDBDRO C[NH+](C)Cc1cccc(NC(=O)c2ccnc(N)c2[N+](=O)[O-])c1 ZINC000548410531 421435042 /nfs/dbraw/zinc/43/50/42/421435042.db2.gz OERQQYUEFQCAKP-UHFFFAOYSA-N 1 0 315.333 1.886 20 5 DDBDRO CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000563159603 421465985 /nfs/dbraw/zinc/46/59/85/421465985.db2.gz GNWRJKYGQQYZNG-OLZOCXBDSA-N 1 0 304.350 1.263 20 5 DDBDRO C[C@H](C(=O)NCCN1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000515115379 421479703 /nfs/dbraw/zinc/47/97/03/421479703.db2.gz ZBACSFLREWUQDJ-LBPRGKRZSA-N 1 0 307.350 1.147 20 5 DDBDRO CC[NH2+]CCCNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000517564594 421617518 /nfs/dbraw/zinc/61/75/18/421617518.db2.gz IMLUNZFETKOYMA-UHFFFAOYSA-N 1 0 318.333 1.578 20 5 DDBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000517568397 421619312 /nfs/dbraw/zinc/61/93/12/421619312.db2.gz CIZLKVYLRLHTNM-WDEREUQCSA-N 1 0 317.349 1.636 20 5 DDBDRO C[C@@H]1C[C@@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC[NH2+]1 ZINC000519549084 421699912 /nfs/dbraw/zinc/69/99/12/421699912.db2.gz ZIOJXJBTXOQQLC-BDAKNGLRSA-N 1 0 307.306 1.194 20 5 DDBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000571512964 421722266 /nfs/dbraw/zinc/72/22/66/421722266.db2.gz ZGZJERIJVSQVSM-AWEZNQCLSA-N 1 0 306.366 1.830 20 5 DDBDRO CC(C)(C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1)n1cc([N+](=O)[O-])cn1 ZINC000570929145 421677623 /nfs/dbraw/zinc/67/76/23/421677623.db2.gz DNGVQVOALPABCF-HAQNSBGRSA-N 1 0 323.397 1.408 20 5 DDBDRO CC(C)[C@@H](C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)[C@H](C)[NH3+] ZINC000519823346 421732260 /nfs/dbraw/zinc/73/22/60/421732260.db2.gz OUJAVJYSWGUSSQ-SMDDNHRTSA-N 1 0 323.397 1.574 20 5 DDBDRO COC[C@@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])C(C)C ZINC000544415760 421844816 /nfs/dbraw/zinc/84/48/16/421844816.db2.gz QIXJYNKRCWAAFV-CHWSQXEVSA-N 1 0 312.366 1.595 20 5 DDBDRO CO[C@@](C)(C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000581544306 421997765 /nfs/dbraw/zinc/99/77/65/421997765.db2.gz XGGMFTWVZUWOJW-CJNGLKHVSA-N 1 0 324.377 1.739 20 5 DDBDRO CCn1ccnc1[C@@H]1CCCCN1C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000574057917 422056711 /nfs/dbraw/zinc/05/67/11/422056711.db2.gz OFRWTPCFICQHHG-NSHDSACASA-N 1 0 318.337 1.902 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@@H]1CCSC1 ZINC000583560499 422185504 /nfs/dbraw/zinc/18/55/04/422185504.db2.gz OWDFBPRAHNUBFE-NWDGAFQWSA-N 1 0 312.391 1.677 20 5 DDBDRO COc1ccc(CC(=O)NCC[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000583559365 422185706 /nfs/dbraw/zinc/18/57/06/422185706.db2.gz HYENGQBBQBDTAU-LBPRGKRZSA-N 1 0 321.377 1.652 20 5 DDBDRO CC(C)(C(=O)N1CCC(O)(C[NH3+])CC1)c1ccc([N+](=O)[O-])cc1 ZINC000575044935 422243029 /nfs/dbraw/zinc/24/30/29/422243029.db2.gz FSPICDMXRUFXTA-UHFFFAOYSA-N 1 0 321.377 1.185 20 5 DDBDRO C[NH+](C)CCc1ccc(CNc2ccc(N)c([N+](=O)[O-])n2)cc1 ZINC000596204071 422370339 /nfs/dbraw/zinc/37/03/39/422370339.db2.gz NFQXJEHNFKBTBL-UHFFFAOYSA-N 1 0 315.377 2.288 20 5 DDBDRO C[C@@H]1C[N@H+](C(C)(C)CNc2ccc(N)c([N+](=O)[O-])n2)C[C@H](C)O1 ZINC000590571734 422320347 /nfs/dbraw/zinc/32/03/47/422320347.db2.gz GULPJLOBHUHDBG-PHIMTYICSA-N 1 0 323.397 1.872 20 5 DDBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000319969846 271024457 /nfs/dbraw/zinc/02/44/57/271024457.db2.gz DDVVSUJSXXUVII-LXJUILQBSA-N 1 0 301.346 1.818 20 5 DDBDRO CO[C@@H]1CCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)[C@@H](C[NH3+])C1 ZINC000322012067 271028188 /nfs/dbraw/zinc/02/81/88/271028188.db2.gz BCCUSTMEFRYXFR-XEVLESSRSA-N 1 0 319.361 1.573 20 5 DDBDRO NC(=O)c1cccc(N2CCC[C@H]([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000341725121 271187137 /nfs/dbraw/zinc/18/71/37/271187137.db2.gz DGJDMXWMSGNVHC-LBPRGKRZSA-N 1 0 318.377 1.758 20 5 DDBDRO NC(=O)c1cccc(N2CCC[C@@H]([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000341725118 271187395 /nfs/dbraw/zinc/18/73/95/271187395.db2.gz DGJDMXWMSGNVHC-GFCCVEGCSA-N 1 0 318.377 1.758 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)NCC1([NH3+])CCC1 ZINC000342134387 271312114 /nfs/dbraw/zinc/31/21/14/271312114.db2.gz PQISTKOQJPAPFI-JTQLQIEISA-N 1 0 322.365 1.401 20 5 DDBDRO CNS(=O)(=O)CCC[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000342334483 271380002 /nfs/dbraw/zinc/38/00/02/271380002.db2.gz CDDOWFBDTUZANJ-LLVKDONJSA-N 1 0 315.395 1.493 20 5 DDBDRO CN(CCC[NH+]1CCCC1)C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000343746265 271853659 /nfs/dbraw/zinc/85/36/59/271853659.db2.gz FIVJGPCGTGNZSP-UHFFFAOYSA-N 1 0 323.397 1.471 20 5 DDBDRO CC[N@H+]1C[C@@H](C)N(C(=O)CCn2cc([N+](=O)[O-])nc2C)[C@@H](C)C1 ZINC000344477073 272033999 /nfs/dbraw/zinc/03/39/99/272033999.db2.gz YSSDARZFKGKOHI-TXEJJXNPSA-N 1 0 323.397 1.431 20 5 DDBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cccc([N+](=O)[O-])c2N)C[C@@H]1C ZINC000345962908 272376796 /nfs/dbraw/zinc/37/67/96/272376796.db2.gz PTDVYNBGDNIVOT-WDEREUQCSA-N 1 0 306.366 1.732 20 5 DDBDRO CN(C(=O)COc1cccc([N+](=O)[O-])c1)[C@@H]1C[NH+]2CCC1CC2 ZINC000347946521 272788478 /nfs/dbraw/zinc/78/84/78/272788478.db2.gz KOLJFORNPLDTTI-OAHLLOKOSA-N 1 0 319.361 1.526 20 5 DDBDRO CC[C@@H](C)[NH+]1CCN(c2cccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000450867779 273716370 /nfs/dbraw/zinc/71/63/70/273716370.db2.gz ZZRNYLKHJBPYRJ-LLVKDONJSA-N 1 0 306.366 1.614 20 5 DDBDRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000237887959 274947938 /nfs/dbraw/zinc/94/79/38/274947938.db2.gz UQVXBAKSZRMEHM-ZANVPECISA-N 1 0 322.321 1.750 20 5 DDBDRO [NH3+]C[C@H]1CCCCN1c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000420176559 274951388 /nfs/dbraw/zinc/95/13/88/274951388.db2.gz QETSCEAAWHCXAW-GFCCVEGCSA-N 1 0 303.322 1.962 20 5 DDBDRO O=C(c1n[nH]c2c1C[NH2+]CC2)N1CCc2c1cccc2[N+](=O)[O-] ZINC000188572952 275010273 /nfs/dbraw/zinc/01/02/73/275010273.db2.gz ZGJPDGFVLWLMJA-UHFFFAOYSA-N 1 0 313.317 1.167 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c1[N+](=O)[O-] ZINC000279192438 276041393 /nfs/dbraw/zinc/04/13/93/276041393.db2.gz KDDMUVNSOIQADB-AOOOYVTPSA-N 1 0 307.354 1.075 20 5 DDBDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000078544668 278191504 /nfs/dbraw/zinc/19/15/04/278191504.db2.gz QOODNHRJRLAWAD-GFCCVEGCSA-N 1 0 321.381 1.352 20 5 DDBDRO CC[N@H+](C)CCNC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000183120774 279031879 /nfs/dbraw/zinc/03/18/79/279031879.db2.gz URVOVVWSZFOTNM-AWEZNQCLSA-N 1 0 320.349 1.156 20 5 DDBDRO C[C@]1(F)C[NH2+]CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000420266486 280164559 /nfs/dbraw/zinc/16/45/59/280164559.db2.gz QSTBSFVYJPTDMH-AWEZNQCLSA-N 1 0 321.312 1.783 20 5 DDBDRO C[NH+](C)CCNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000130541534 281384851 /nfs/dbraw/zinc/38/48/51/281384851.db2.gz UXXNBHWPOOKKFE-UHFFFAOYSA-N 1 0 303.322 1.072 20 5 DDBDRO CC1CC([NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000184323405 281846672 /nfs/dbraw/zinc/84/66/72/281846672.db2.gz KPALHMGNDMDBKT-UHFFFAOYSA-N 1 0 313.379 1.261 20 5 DDBDRO C[C@H](c1cccs1)[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000246705829 282008164 /nfs/dbraw/zinc/00/81/64/282008164.db2.gz JXKPKNZWVOZHHW-ZYHUDNBSSA-N 1 0 310.379 1.907 20 5 DDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000423652761 295362303 /nfs/dbraw/zinc/36/23/03/295362303.db2.gz XZYXDBQNUWOBJC-HNNXBMFYSA-N 1 0 304.350 1.393 20 5 DDBDRO C[C@@H]1CC[N@H+](C)CCN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000354005115 298336798 /nfs/dbraw/zinc/33/67/98/298336798.db2.gz FBRLTGKWFHQBBU-GFCCVEGCSA-N 1 0 307.350 1.526 20 5 DDBDRO C[N@@H+]1CC[C@H](CNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000354241686 298379097 /nfs/dbraw/zinc/37/90/97/298379097.db2.gz XQQNJUGCVINPGO-GFCCVEGCSA-N 1 0 316.361 1.617 20 5 DDBDRO COCCO[C@H]1COCC[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000362515666 300084016 /nfs/dbraw/zinc/08/40/16/300084016.db2.gz ITONMCAIUZJNHW-GJZGRUSLSA-N 1 0 310.350 1.505 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000362905825 300175191 /nfs/dbraw/zinc/17/51/91/300175191.db2.gz JRZIVCSYBGNOEG-AWEZNQCLSA-N 1 0 319.361 1.670 20 5 DDBDRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000362982491 300193776 /nfs/dbraw/zinc/19/37/76/300193776.db2.gz MEEQCJVGNRZGER-GXFFZTMASA-N 1 0 304.350 1.072 20 5 DDBDRO Cc1cc(C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc([N+](=O)[O-])c1 ZINC000363125567 300215744 /nfs/dbraw/zinc/21/57/44/300215744.db2.gz RFBOOHWYROVARE-HIFRSBDPSA-N 1 0 319.361 1.496 20 5 DDBDRO C[C@@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)[C@@H]1COc2ccccc21 ZINC000363836611 300314982 /nfs/dbraw/zinc/31/49/82/300314982.db2.gz VBIHZVLPSODCCT-PWSUYJOCSA-N 1 0 302.334 1.983 20 5 DDBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](CC(N)=O)C1 ZINC000368579791 301056608 /nfs/dbraw/zinc/05/66/08/301056608.db2.gz UIIKPGDLXUFWMH-WDEREUQCSA-N 1 0 320.349 1.119 20 5 DDBDRO COc1cc(C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)ccc1[N+](=O)[O-] ZINC000372912995 301631611 /nfs/dbraw/zinc/63/16/11/301631611.db2.gz ZSCAJTGOTZSQEH-CMPLNLGQSA-N 1 0 305.334 1.427 20 5 DDBDRO Cc1cc(C(=O)N2CCC3(C2)CC[NH2+]CC3)c(N)c([N+](=O)[O-])c1 ZINC000373136895 301664562 /nfs/dbraw/zinc/66/45/62/301664562.db2.gz FHTRNZSRRNAWAJ-UHFFFAOYSA-N 1 0 318.377 1.701 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@H]2CCc3ccccc3OC2)n1 ZINC000374617651 301826187 /nfs/dbraw/zinc/82/61/87/301826187.db2.gz CWAIVPNDTKLXAU-ZDUSSCGKSA-N 1 0 302.334 1.775 20 5 DDBDRO COc1ccc(C[NH2+]C[C@@H]2CCCN(C(C)=O)C2)cc1[N+](=O)[O-] ZINC000355419571 306799290 /nfs/dbraw/zinc/79/92/90/306799290.db2.gz LJQZCIRFZIFYED-AWEZNQCLSA-N 1 0 321.377 1.952 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CC2(CCO)CCC2)c1 ZINC000519708316 302850091 /nfs/dbraw/zinc/85/00/91/302850091.db2.gz NARUGNKXGOXAQY-CQSZACIVSA-N 1 0 324.377 1.477 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000423989765 303053059 /nfs/dbraw/zinc/05/30/59/303053059.db2.gz BRXXXVSKFRFTPB-GFCCVEGCSA-N 1 0 315.333 1.115 20 5 DDBDRO C[C@@H]1CC[N@H+](CCNC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000531506000 303247694 /nfs/dbraw/zinc/24/76/94/303247694.db2.gz BBDFBTLFIRGBNT-CYBMUJFWSA-N 1 0 305.378 1.985 20 5 DDBDRO CN(C(=O)C[N@H+](C)C1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000532988075 303303368 /nfs/dbraw/zinc/30/33/68/303303368.db2.gz JOEZQXXEMXZRBO-UHFFFAOYSA-N 1 0 307.350 1.668 20 5 DDBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)c3ccc(F)cc3[N+](=O)[O-])C[C@H]21 ZINC000262101582 303468078 /nfs/dbraw/zinc/46/80/78/303468078.db2.gz IXGMCGCADXXFLA-ZWKOPEQDSA-N 1 0 307.325 1.933 20 5 DDBDRO CC[NH+]1CCC(CNc2c(C(N)=O)cccc2[N+](=O)[O-])CC1 ZINC000562926433 303902012 /nfs/dbraw/zinc/90/20/12/303902012.db2.gz CJUBVPZFOKJDBN-UHFFFAOYSA-N 1 0 306.366 1.838 20 5 DDBDRO CO[C@@H](C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000562998235 303907943 /nfs/dbraw/zinc/90/79/43/303907943.db2.gz CXQSQLOKPYPIEJ-ZFWWWQNUSA-N 1 0 310.350 1.349 20 5 DDBDRO Cc1ccnc(N2CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CC2)c1 ZINC000361925043 307011436 /nfs/dbraw/zinc/01/14/36/307011436.db2.gz IDIUPVGKISDPFJ-UHFFFAOYSA-N 1 0 315.333 1.589 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(N[C@H]2CCN(C3CC[NH+](C)CC3)C2)n1 ZINC000363779155 307035657 /nfs/dbraw/zinc/03/56/57/307035657.db2.gz CGYYRDNVFCJRSR-ZDUSSCGKSA-N 1 0 319.409 1.879 20 5 DDBDRO [NH3+][C@@H]1CCC[C@@]12CCN(C(=O)COc1ccccc1[N+](=O)[O-])C2 ZINC000364182027 307043063 /nfs/dbraw/zinc/04/30/63/307043063.db2.gz DECOGRSFLYXSJR-ZBFHGGJFSA-N 1 0 319.361 1.704 20 5 DDBDRO COc1cc(C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000371511977 307151823 /nfs/dbraw/zinc/15/18/23/307151823.db2.gz ULRSRLPAANYTGF-STQMWFEESA-N 1 0 319.361 1.960 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000372864757 307175162 /nfs/dbraw/zinc/17/51/62/307175162.db2.gz ABGHAJZUPPGXLZ-ZDUSSCGKSA-N 1 0 319.361 1.914 20 5 DDBDRO CC(C)[C@@H](C)NC(=O)CN1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000373587711 307190778 /nfs/dbraw/zinc/19/07/78/307190778.db2.gz YNTGQCUXBOJRLX-OLZOCXBDSA-N 1 0 323.397 1.589 20 5 DDBDRO O=C1NC[C@@H]2[C@H]1CCC[N@H+]2CCOc1cccc([N+](=O)[O-])c1 ZINC000374072841 307202429 /nfs/dbraw/zinc/20/24/29/307202429.db2.gz UNQHARNDWKREFZ-ZIAGYGMSSA-N 1 0 305.334 1.184 20 5 DDBDRO COc1ccc2c(c1)CC[N@@H+](CCn1ccc([N+](=O)[O-])n1)CC2 ZINC000374390424 307207255 /nfs/dbraw/zinc/20/72/55/307207255.db2.gz WGOGYLZULQRHJP-UHFFFAOYSA-N 1 0 316.361 1.901 20 5 DDBDRO CCc1n[nH]c(C(=O)N2CCCC23CC[NH+](C)CC3)c1[N+](=O)[O-] ZINC000375942952 307234766 /nfs/dbraw/zinc/23/47/66/307234766.db2.gz RXBFWEUSKDVHIC-UHFFFAOYSA-N 1 0 321.381 1.581 20 5 DDBDRO Cn1ccc(N2CC[C@@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)C2=O)n1 ZINC000375954998 307235631 /nfs/dbraw/zinc/23/56/31/307235631.db2.gz PQSSKVLMTSQOCP-CYBMUJFWSA-N 1 0 315.333 1.223 20 5 DDBDRO O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC[C@H]1C[NH2+]CCCO1 ZINC000390176681 307293569 /nfs/dbraw/zinc/29/35/69/307293569.db2.gz QTQQLPGZFDMILS-VBROQKIQSA-N 1 0 305.334 1.103 20 5 DDBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000519535671 307453408 /nfs/dbraw/zinc/45/34/08/307453408.db2.gz BMWVYSNVHDNDIG-NWDGAFQWSA-N 1 0 308.382 1.905 20 5 DDBDRO C[NH2+]CCCNS(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC000569140191 308134434 /nfs/dbraw/zinc/13/44/34/308134434.db2.gz FRPNWKGEPUUZMJ-UHFFFAOYSA-N 1 0 301.368 1.099 20 5 DDBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@@H](O)C1CCOCC1 ZINC000569472975 308145313 /nfs/dbraw/zinc/14/53/13/308145313.db2.gz UDUHFCWWMPBLAY-GDBMZVCRSA-N 1 0 306.362 1.959 20 5 DDBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@H](O)C1CCOCC1 ZINC000569472982 308145417 /nfs/dbraw/zinc/14/54/17/308145417.db2.gz UDUHFCWWMPBLAY-ZBFHGGJFSA-N 1 0 306.362 1.959 20 5 DDBDRO C[NH+](C)[C@H]1CN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000571775439 308202251 /nfs/dbraw/zinc/20/22/51/308202251.db2.gz WEKUMDPWTOMESD-KBPBESRZSA-N 1 0 321.377 1.006 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@@H](O)C2CCC2)c1 ZINC000582845955 337206462 /nfs/dbraw/zinc/20/64/62/337206462.db2.gz RMKYYWUNUJQXNJ-UKRRQHHQSA-N 1 0 310.350 1.085 20 5 DDBDRO CC[C@@H]1C[N@H+](C)CCN1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000582961067 337218979 /nfs/dbraw/zinc/21/89/79/337218979.db2.gz NAGWPXJPPUBOJV-LLVKDONJSA-N 1 0 303.366 1.997 20 5 DDBDRO CC[NH2+]CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000036299549 337352820 /nfs/dbraw/zinc/35/28/20/337352820.db2.gz SEDSDJFTUYGZPJ-UHFFFAOYSA-N 1 0 301.368 1.181 20 5 DDBDRO COC(=O)c1cc(C(=O)N[C@@H]2CCC[C@H]2C[NH3+])cc([N+](=O)[O-])c1 ZINC000422865485 533740655 /nfs/dbraw/zinc/74/06/55/533740655.db2.gz OXUGVSVDKWCTAL-TVQRCGJNSA-N 1 0 321.333 1.239 20 5 DDBDRO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000304290276 533755888 /nfs/dbraw/zinc/75/58/88/533755888.db2.gz CFDLHPLGNGUOLU-DHMWGJHJSA-N 1 0 308.382 1.805 20 5 DDBDRO COc1cc(CN2C[C@@H](C)[N@H+](CCO)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000419344558 533828992 /nfs/dbraw/zinc/82/89/92/533828992.db2.gz SAOSHEOHHYWYNH-CHWSQXEVSA-N 1 0 323.393 1.490 20 5 DDBDRO Cc1c(Cl)cc(S(=O)(=O)NC[C@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000447257480 533874005 /nfs/dbraw/zinc/87/40/05/533874005.db2.gz RYWYNXPTBTYUFC-SSDOTTSWSA-N 1 0 321.786 1.430 20 5 DDBDRO Cc1c(NC(=O)CCN2CCC[N@@H+](C)CC2)cccc1[N+](=O)[O-] ZINC000298120491 533899712 /nfs/dbraw/zinc/89/97/12/533899712.db2.gz SYHGIRMRCYZVQH-UHFFFAOYSA-N 1 0 320.393 1.869 20 5 DDBDRO COc1cc(CN[C@H]2CCC[C@@H]([NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000414935420 533907414 /nfs/dbraw/zinc/90/74/14/533907414.db2.gz YLVDDPWAYQVLDL-NEPJUHHUSA-N 1 0 309.366 1.972 20 5 DDBDRO Cc1c(NC(=O)NCCCN2CC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000414712361 533907710 /nfs/dbraw/zinc/90/77/10/533907710.db2.gz UATGDZYBXKASRM-UHFFFAOYSA-N 1 0 321.381 1.320 20 5 DDBDRO COc1ccc(NC(=O)C[NH2+][C@@]2(C)CCO[C@@H]2C)c([N+](=O)[O-])c1 ZINC000494242317 534081401 /nfs/dbraw/zinc/08/14/01/534081401.db2.gz RMXAXPQPAWAFPW-BMIGLBTASA-N 1 0 323.349 1.699 20 5 DDBDRO C[C@@H]1OCC[C@@]1(C)[NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000494204581 534187646 /nfs/dbraw/zinc/18/76/46/534187646.db2.gz KMCMUZUERLLSOV-SGIREYDYSA-N 1 0 319.361 1.857 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@H](O)C12CCCC2 ZINC000292839964 534320297 /nfs/dbraw/zinc/32/02/97/534320297.db2.gz UUHSWKFYHIZJMX-ZDUSSCGKSA-N 1 0 307.350 1.136 20 5 DDBDRO NC(=O)[C@H]1CCCC[C@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444680614 534448708 /nfs/dbraw/zinc/44/87/08/534448708.db2.gz QIJOHFJRHDQHAL-WDEREUQCSA-N 1 0 317.349 1.605 20 5 DDBDRO C[NH2+]C[C@H]1CCCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000156609668 522088768 /nfs/dbraw/zinc/08/87/68/522088768.db2.gz CMBJQVPHZXZISM-GFCCVEGCSA-N 1 0 313.379 1.276 20 5 DDBDRO O=[N+]([O-])c1ccc(OCC[NH+]2CCC(n3cncn3)CC2)cc1 ZINC000156623807 527370833 /nfs/dbraw/zinc/37/08/33/527370833.db2.gz SMWNCCGEIGPAOE-UHFFFAOYSA-N 1 0 317.349 1.902 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]([NH2+]C)C2)c1 ZINC000422773539 528610726 /nfs/dbraw/zinc/61/07/26/528610726.db2.gz UJPDXSPSOZGIHO-LLVKDONJSA-N 1 0 307.350 1.818 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H](C[NH2+]C)C1 ZINC000422807326 528692479 /nfs/dbraw/zinc/69/24/79/528692479.db2.gz MGPZFPXJSODFFO-NSHDSACASA-N 1 0 307.350 1.675 20 5 DDBDRO CC1(C)CCC[N@H+](CCNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C1 ZINC000331341072 528936393 /nfs/dbraw/zinc/93/63/93/528936393.db2.gz NKUSBWNPWSIBQE-UHFFFAOYSA-N 1 0 322.365 1.547 20 5 DDBDRO CC[C@H](CNS(C)(=O)=O)[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000295011361 529366898 /nfs/dbraw/zinc/36/68/98/529366898.db2.gz JLWUZQXYMLDXGF-GFCCVEGCSA-N 1 0 315.395 1.321 20 5 DDBDRO CC[C@@H](C)[N@H+](C)CCNc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000736328957 598420723 /nfs/dbraw/zinc/42/07/23/598420723.db2.gz ZMTWTQCFYGRWRP-SNVBAGLBSA-N 1 0 319.369 1.917 20 5 DDBDRO CC[N@H+](CCNc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1)C(C)C ZINC000736536058 598500579 /nfs/dbraw/zinc/50/05/79/598500579.db2.gz AHHZECBYFWKFLI-UHFFFAOYSA-N 1 0 320.357 1.312 20 5 DDBDRO CN(C[C@@H]1CC[N@H+](C)C1)c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000736847531 598797232 /nfs/dbraw/zinc/79/72/32/598797232.db2.gz GQTAKSLIKUUFFT-SNVBAGLBSA-N 1 0 317.353 1.163 20 5 DDBDRO CC[N@@H+]1C[C@@H](C)[C@H](Nc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC000821241148 606731715 /nfs/dbraw/zinc/73/17/15/606731715.db2.gz KGNQDKJJBORQJO-BXKDBHETSA-N 1 0 317.353 1.527 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H](C[NH3+])C2)cc1C ZINC000050246574 696229731 /nfs/dbraw/zinc/22/97/31/696229731.db2.gz NGXDFCPUTONLOR-LLVKDONJSA-N 1 0 313.379 1.181 20 5 DDBDRO CCC[N@H+](C)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000063762172 696330619 /nfs/dbraw/zinc/33/06/19/696330619.db2.gz CPQQTHRXSHLORR-UHFFFAOYSA-N 1 0 320.393 1.585 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000799030010 700110959 /nfs/dbraw/zinc/11/09/59/700110959.db2.gz SQYUOLABYYEJGW-UHFFFAOYSA-N 1 0 321.381 1.276 20 5 DDBDRO CC1(C)CN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000175400171 697396590 /nfs/dbraw/zinc/39/65/90/697396590.db2.gz MCWZHLMKCQYTEQ-UHFFFAOYSA-N 1 0 308.294 1.327 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)NC[C@@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000194731288 697719462 /nfs/dbraw/zinc/71/94/62/697719462.db2.gz VDNBNMMSYIWDFL-NSHDSACASA-N 1 0 322.321 1.635 20 5 DDBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]C[C@H](O)C(F)(F)F)n1 ZINC000774381336 697874345 /nfs/dbraw/zinc/87/43/45/697874345.db2.gz MDGYKSZSNPVGNU-GUBZILKMSA-N 1 0 322.287 1.788 20 5 DDBDRO CN(C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000776581634 698120850 /nfs/dbraw/zinc/12/08/50/698120850.db2.gz FQAHGJLKHUBMJI-CVEARBPZSA-N 1 0 305.378 1.797 20 5 DDBDRO CNC(=O)[C@H]1CCCCN1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776582149 698121084 /nfs/dbraw/zinc/12/10/84/698121084.db2.gz RKFKOZGLDACWKR-ZIAGYGMSSA-N 1 0 307.350 1.229 20 5 DDBDRO CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000750066369 700201940 /nfs/dbraw/zinc/20/19/40/700201940.db2.gz ISYXXUOBHMDGHR-CVEARBPZSA-N 1 0 305.378 1.797 20 5 DDBDRO COc1cccc([C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[NH+](C)C)c1 ZINC000248252485 698371379 /nfs/dbraw/zinc/37/13/79/698371379.db2.gz QKNPISCLTQTCHQ-MCIONIFRSA-N 1 0 307.350 1.079 20 5 DDBDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000261900859 698443570 /nfs/dbraw/zinc/44/35/70/698443570.db2.gz WQFZHUSTIJPEEM-NXEZZACHSA-N 1 0 311.313 1.308 20 5 DDBDRO O=[N+]([O-])c1ccc(CN2CCN([C@H]3CC[NH2+]C3)CC2)c(Cl)c1 ZINC000262531217 698473291 /nfs/dbraw/zinc/47/32/91/698473291.db2.gz POIBAACJLTVWOS-AWEZNQCLSA-N 1 0 324.812 1.728 20 5 DDBDRO C[C@@H](CNS(=O)(=O)c1csc([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC000780704809 698551627 /nfs/dbraw/zinc/55/16/27/698551627.db2.gz UABDIHMRHRTUEN-VIFPVBQESA-N 1 0 319.408 1.419 20 5 DDBDRO C[C@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@@H]1O ZINC000782524609 698734069 /nfs/dbraw/zinc/73/40/69/698734069.db2.gz OMGPJTVWRLUXRF-ZANVPECISA-N 1 0 311.313 1.375 20 5 DDBDRO C[C@@H]1CC[C@H]1[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000783225183 698821338 /nfs/dbraw/zinc/82/13/38/698821338.db2.gz PBUHGMUJXJGWIJ-ZWNOBZJWSA-N 1 0 313.379 1.261 20 5 DDBDRO C[C@H]1CCC[N@@H+]1CCNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000783923321 698892575 /nfs/dbraw/zinc/89/25/75/698892575.db2.gz YCYQHUUJOBDBAJ-JTQLQIEISA-N 1 0 321.333 1.538 20 5 DDBDRO C[NH+](C)C[C@]1(O)CCN(c2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000713689339 699266495 /nfs/dbraw/zinc/26/64/95/699266495.db2.gz OTYYIJXSMZFFNG-GFCCVEGCSA-N 1 0 300.746 1.146 20 5 DDBDRO C[C@H]([NH2+][C@@H](C)[C@@H]1CN(C)CCO1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788670290 699333049 /nfs/dbraw/zinc/33/30/49/699333049.db2.gz IPOLCOBCHILGPV-PGUXBMHVSA-N 1 0 308.382 1.547 20 5 DDBDRO CC(C)C(=O)NCCC[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788686855 699334654 /nfs/dbraw/zinc/33/46/54/699334654.db2.gz PRFZDXNJORSJJQ-LLVKDONJSA-N 1 0 308.382 1.990 20 5 DDBDRO CN(CCC[N@H+](C)Cc1ccco1)Cn1cc([N+](=O)[O-])cn1 ZINC000795751115 699889397 /nfs/dbraw/zinc/88/93/97/699889397.db2.gz ICJUJTFJHWRDSI-UHFFFAOYSA-N 1 0 307.354 1.796 20 5 DDBDRO CC(C)([NH2+]CCOc1cccc([N+](=O)[O-])c1)C(=O)N1CCCC1 ZINC000796581674 699941019 /nfs/dbraw/zinc/94/10/19/699941019.db2.gz GRYYSDYFMNSTPE-UHFFFAOYSA-N 1 0 321.377 1.964 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H](CCO)C2CCOCC2)c1 ZINC000763903468 700952509 /nfs/dbraw/zinc/95/25/09/700952509.db2.gz SCZYJXLMYWLZHH-HOTGVXAUSA-N 1 0 324.377 1.395 20 5 DDBDRO COCCN1CCC([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000765848607 701028730 /nfs/dbraw/zinc/02/87/30/701028730.db2.gz IOYQJDQNPCRNFM-INIZCTEOSA-N 1 0 323.393 1.329 20 5 DDBDRO Cn1ccnc1[C@H]1CC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000767116950 701084774 /nfs/dbraw/zinc/08/47/74/701084774.db2.gz OSEKGCIFCAJLBZ-DZGCQCFKSA-N 1 0 316.361 1.851 20 5 DDBDRO COC(=O)C[C@@]1([NH2+]Cc2ccccc2[N+](=O)[O-])CCCOC1 ZINC000770711433 701291580 /nfs/dbraw/zinc/29/15/80/701291580.db2.gz VIHNTNZOTNQQDP-HNNXBMFYSA-N 1 0 308.334 1.797 20 5 DDBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@H](CO)C2CC2)cccc1[N+](=O)[O-] ZINC000771814607 701332602 /nfs/dbraw/zinc/33/26/02/701332602.db2.gz ATGBZBUVSMMCTF-GXFFZTMASA-N 1 0 307.350 1.591 20 5 DDBDRO C[C@H]1C[C@@H](O)CN1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839533246 701727558 /nfs/dbraw/zinc/72/75/58/701727558.db2.gz QOKSYPRJRSERCJ-WCBMZHEXSA-N 1 0 313.741 1.642 20 5 DDBDRO O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839595170 701749312 /nfs/dbraw/zinc/74/93/12/701749312.db2.gz KLXZKYVHNKTIBK-BZUAXINKSA-N 1 0 317.389 1.680 20 5 DDBDRO COC(=O)[C@]1(C)CCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000839665958 701772919 /nfs/dbraw/zinc/77/29/19/701772919.db2.gz JJUMYRBMWKJWQP-GDBMZVCRSA-N 1 0 322.361 1.903 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)C1CC[NH2+]CC1 ZINC000868003564 701885984 /nfs/dbraw/zinc/88/59/84/701885984.db2.gz HVPDNHQOBOIYDA-SNVBAGLBSA-N 1 0 307.350 1.721 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)NCc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000868075532 701927461 /nfs/dbraw/zinc/92/74/61/701927461.db2.gz KXLFDLNUDGUOPQ-UKRRQHHQSA-N 1 0 318.377 1.830 20 5 DDBDRO C[C@@H]1CN(Cn2nccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000840176561 702013509 /nfs/dbraw/zinc/01/35/09/702013509.db2.gz CZCMZESLFIWOPR-CQSZACIVSA-N 1 0 315.377 1.955 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)OCC[C@H]1CCCC[N@H+]1C ZINC000840226023 702035641 /nfs/dbraw/zinc/03/56/41/702035641.db2.gz SJBHVILSQZGFHA-CYBMUJFWSA-N 1 0 324.381 1.907 20 5 DDBDRO C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840403072 702098683 /nfs/dbraw/zinc/09/86/83/702098683.db2.gz CVXISKHOALTKRX-ZIAGYGMSSA-N 1 0 305.378 1.678 20 5 DDBDRO COc1cccc(C(=O)N2C[C@@H]3C[N@@H+](C)CC[C@@H]3C2)c1[N+](=O)[O-] ZINC000812344581 702166939 /nfs/dbraw/zinc/16/69/39/702166939.db2.gz VUCXKKFQPJZQBM-NEPJUHHUSA-N 1 0 319.361 1.627 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000818002071 702549499 /nfs/dbraw/zinc/54/94/99/702549499.db2.gz WFTSSHQIHVUZDA-CQSZACIVSA-N 1 0 320.393 1.908 20 5 DDBDRO CN(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[C@H](C[NH3+])C1CC1 ZINC000818003040 702550062 /nfs/dbraw/zinc/55/00/62/702550062.db2.gz NQZOPYPYUQVZGH-GFCCVEGCSA-N 1 0 308.294 1.312 20 5 DDBDRO C[C@H](C[NH3+])CNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000841856992 702590361 /nfs/dbraw/zinc/59/03/61/702590361.db2.gz VAXHZGAANBVJSK-MRVPVSSYSA-N 1 0 300.746 1.642 20 5 DDBDRO CN(CCC[NH3+])C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000818522241 702658127 /nfs/dbraw/zinc/65/81/27/702658127.db2.gz CNEVDJHWSSQBDQ-UHFFFAOYSA-N 1 0 303.721 1.737 20 5 DDBDRO Cc1cc(S(=O)(=O)NC(C)(C)C[NH3+])cc([N+](=O)[O-])c1F ZINC000842707275 702760064 /nfs/dbraw/zinc/76/00/64/702760064.db2.gz MUQSPMWOLCPZRY-UHFFFAOYSA-N 1 0 305.331 1.058 20 5 DDBDRO C[C@@H]([NH3+])[C@@H](C)NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000842883134 702786771 /nfs/dbraw/zinc/78/67/71/702786771.db2.gz AXUVFYSDOKLPRE-RNFRBKRXSA-N 1 0 307.759 1.262 20 5 DDBDRO CC(C)C[C@H](O)C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000843071361 702813491 /nfs/dbraw/zinc/81/34/91/702813491.db2.gz UTUXYRIICLXGFQ-LBPRGKRZSA-N 1 0 309.366 1.920 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H](CO)CN2CCCCC2)cc1 ZINC000843112599 702821288 /nfs/dbraw/zinc/82/12/88/702821288.db2.gz IRMFVOHOFICZPS-GDBMZVCRSA-N 1 0 323.393 1.065 20 5 DDBDRO CC[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@H](O)C(F)F ZINC000843114567 702821940 /nfs/dbraw/zinc/82/19/40/702821940.db2.gz KWFPNWHYNIERHJ-SRVKXCTJSA-N 1 0 304.293 1.622 20 5 DDBDRO CCOC(=O)c1cc(-c2nc(CC[NH3+])no2)cc([N+](=O)[O-])c1 ZINC000843130554 702825673 /nfs/dbraw/zinc/82/56/73/702825673.db2.gz NOJTYJHRVDENQP-UHFFFAOYSA-N 1 0 306.278 1.323 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)NC[C@@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000843334619 702861372 /nfs/dbraw/zinc/86/13/72/702861372.db2.gz JPGDPNQLMRCIAD-JTQLQIEISA-N 1 0 308.294 1.293 20 5 DDBDRO [NH3+][C@@H]1CCCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000843345599 702863404 /nfs/dbraw/zinc/86/34/04/702863404.db2.gz ZRYGHRJXNOSQPX-SECBINFHSA-N 1 0 312.757 1.610 20 5 DDBDRO C[NH2+][C@H]1CCCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000843348515 702864160 /nfs/dbraw/zinc/86/41/60/702864160.db2.gz IECFHFVCTRSZGE-NSHDSACASA-N 1 0 324.356 1.746 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2C[C@H](C[NH3+])C[C@@H]2C)cc1[N+](=O)[O-] ZINC000843453204 702885205 /nfs/dbraw/zinc/88/52/05/702885205.db2.gz CLIGZSCQTAEVSC-WPRPVWTQSA-N 1 0 322.321 1.621 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)NC[C@@H]([NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000843452553 702885268 /nfs/dbraw/zinc/88/52/68/702885268.db2.gz CRQYVDZAVZXNHJ-SNVBAGLBSA-N 1 0 308.294 1.279 20 5 DDBDRO C[C@H](CO)C1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000844417151 703028585 /nfs/dbraw/zinc/02/85/85/703028585.db2.gz SGDAPMVSDOECJN-WBMJQRKESA-N 1 0 308.378 1.969 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CC[C@H]([NH3+])C[C@H]2C)cc1[N+](=O)[O-] ZINC000846744188 703326254 /nfs/dbraw/zinc/32/62/54/703326254.db2.gz XVQOIARMYQWUBB-KCJUWKMLSA-N 1 0 322.321 1.763 20 5 DDBDRO [NH3+]C[C@@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(F)(F)F ZINC000848438155 703550550 /nfs/dbraw/zinc/55/05/50/703550550.db2.gz BHAHTOLOGJXTFL-MRVPVSSYSA-N 1 0 322.199 1.122 20 5 DDBDRO CON(C)CC[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000850481171 703733321 /nfs/dbraw/zinc/73/33/21/703733321.db2.gz YLYQNNGIFYVSEE-LLVKDONJSA-N 1 0 310.354 1.395 20 5 DDBDRO CCO[C@@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1C)C[NH+](C)C ZINC000831738817 706767276 /nfs/dbraw/zinc/76/72/76/706767276.db2.gz SAUSJFSVOYXCOI-AWEZNQCLSA-N 1 0 323.393 1.529 20 5 DDBDRO CCO[C@H](CNC(=O)c1cc([N+](=O)[O-])c(C)s1)C[NH+](C)C ZINC000831765729 706774654 /nfs/dbraw/zinc/77/46/54/706774654.db2.gz DKCOVEKNXBBOMC-SNVBAGLBSA-N 1 0 315.395 1.661 20 5 DDBDRO CCO[C@@H](CNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)C[NH+](C)C ZINC000831776991 706777452 /nfs/dbraw/zinc/77/74/52/706777452.db2.gz OLYQDDHLOBWBFR-XMELGKRDSA-N 1 0 321.377 1.691 20 5 DDBDRO CCO[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(C)c1)C[NH+](C)C ZINC000831776462 706777477 /nfs/dbraw/zinc/77/74/77/706777477.db2.gz JTXVQUMEZIEPRG-CYBMUJFWSA-N 1 0 309.366 1.600 20 5 DDBDRO Cc1noc(CCC[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000819007966 704050967 /nfs/dbraw/zinc/05/09/67/704050967.db2.gz RQDJOSCHJUBWDF-CYBMUJFWSA-N 1 0 306.322 1.542 20 5 DDBDRO CO[C@@H](C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000819067244 704064636 /nfs/dbraw/zinc/06/46/36/704064636.db2.gz HJWFZSGFRAGHMC-QWRGUYRKSA-N 1 0 308.256 1.795 20 5 DDBDRO O=C(CC[N@@H+]1CC[C@@]2(O)C[C@H]2C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000852539507 704071252 /nfs/dbraw/zinc/07/12/52/704071252.db2.gz SHSDDHBAWUUNMA-ZUZCIYMTSA-N 1 0 323.324 1.519 20 5 DDBDRO CCC(=O)N1CC[C@@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000819163950 704079219 /nfs/dbraw/zinc/07/92/19/704079219.db2.gz OGKQTZKFAADZTO-OCCSQVGLSA-N 1 0 307.350 1.229 20 5 DDBDRO CCC(=O)N1CC[C@@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819163925 704079268 /nfs/dbraw/zinc/07/92/68/704079268.db2.gz OELDRIIIXOLLKQ-TZMCWYRMSA-N 1 0 307.350 1.229 20 5 DDBDRO CN(C)c1cccc(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000819191212 704084108 /nfs/dbraw/zinc/08/41/08/704084108.db2.gz PAKVFXHQEBAHEV-HNNXBMFYSA-N 1 0 316.361 1.879 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@@H]2CCC=CO2)c1 ZINC000819246957 704094391 /nfs/dbraw/zinc/09/43/91/704094391.db2.gz UEMLDKRIPHYHKD-HIFRSBDPSA-N 1 0 308.334 1.617 20 5 DDBDRO O=C1[C@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H]2CCCCN12 ZINC000819360049 704113217 /nfs/dbraw/zinc/11/32/17/704113217.db2.gz YXCBRIVWRFDJBO-KFWWJZLASA-N 1 0 319.361 1.371 20 5 DDBDRO C[C@H](C[C@@H]1CCCC[N@@H+]1C)OC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000870789975 704133012 /nfs/dbraw/zinc/13/30/12/704133012.db2.gz LFZVPOHFWALDKJ-NEPJUHHUSA-N 1 0 310.354 1.597 20 5 DDBDRO C[N@@H+]1C[C@@H]2CCN(C(=O)CCc3cc(F)ccc3[N+](=O)[O-])[C@@H]2C1 ZINC000820264840 704248604 /nfs/dbraw/zinc/24/86/04/704248604.db2.gz SNGZPRRJUHAGET-SWLSCSKDSA-N 1 0 321.352 1.829 20 5 DDBDRO Cc1nn(CN(C)CC2C[NH+](C)C2)c2ccc([N+](=O)[O-])cc12 ZINC000853552564 704266647 /nfs/dbraw/zinc/26/66/47/704266647.db2.gz AZMVYTPEQKDJCT-UHFFFAOYSA-N 1 0 303.366 1.704 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(N2CCC([N@@H+]3CCCOCC3)CC2)n1 ZINC000853688454 704300022 /nfs/dbraw/zinc/30/00/22/704300022.db2.gz OOKCFAXXVYERKI-UHFFFAOYSA-N 1 0 320.393 1.989 20 5 DDBDRO [NH3+]C1CCN(C(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000857763298 704621674 /nfs/dbraw/zinc/62/16/74/704621674.db2.gz VWYIWIQAADDKGP-UHFFFAOYSA-N 1 0 315.276 1.516 20 5 DDBDRO CC(C)[C@H]([NH3+])CNC(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857765573 704622152 /nfs/dbraw/zinc/62/21/52/704622152.db2.gz RHNSQPFYIKSOHH-LLVKDONJSA-N 1 0 317.292 1.666 20 5 DDBDRO CCN(C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000861890234 705596097 /nfs/dbraw/zinc/59/60/97/705596097.db2.gz DZSZJLVMXPWBIF-HNNXBMFYSA-N 1 0 321.377 1.571 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000825215599 705626547 /nfs/dbraw/zinc/62/65/47/705626547.db2.gz SKCWWBIQRBKNCG-IINYFYTJSA-N 1 0 323.324 1.323 20 5 DDBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825830351 705735269 /nfs/dbraw/zinc/73/52/69/705735269.db2.gz KNQHOVDEIUKUMP-CABCVRRESA-N 1 0 321.377 1.619 20 5 DDBDRO CC[N@H+](CCNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000825895018 705742453 /nfs/dbraw/zinc/74/24/53/705742453.db2.gz AMSTWBDWQLGTEI-AWEZNQCLSA-N 1 0 309.366 1.475 20 5 DDBDRO [NH3+]CCN(Cc1cc2n(n1)CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000825903315 705743668 /nfs/dbraw/zinc/74/36/68/705743668.db2.gz CVKSYYGLORTDKX-UHFFFAOYSA-N 1 0 301.350 1.703 20 5 DDBDRO CO[C@]1(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCOC1 ZINC000876530027 705747745 /nfs/dbraw/zinc/74/77/45/705747745.db2.gz IYXVBTXWEYTUFF-INIZCTEOSA-N 1 0 321.377 1.522 20 5 DDBDRO COCCN(CC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000826560250 705814654 /nfs/dbraw/zinc/81/46/54/705814654.db2.gz NRCKZJQGDQHYJM-UHFFFAOYSA-N 1 0 313.329 1.384 20 5 DDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]CCOC[C@H]3CCOC3)C2)c1 ZINC000877008714 705957852 /nfs/dbraw/zinc/95/78/52/705957852.db2.gz WVECMIXKGMNZER-HIFPTAJRSA-N 1 0 310.354 1.138 20 5 DDBDRO C[C@H]1CC[C@@H](NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)C[NH2+]1 ZINC000877050199 705972114 /nfs/dbraw/zinc/97/21/14/705972114.db2.gz YZUSFMMQAKLMRG-VHSXEESVSA-N 1 0 311.313 1.369 20 5 DDBDRO C[C@@H](CO[C@@H]1CCOC1)[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877093683 705980890 /nfs/dbraw/zinc/98/08/90/705980890.db2.gz UTCMZLDCKYDHAP-DLOFLVKXSA-N 1 0 310.354 1.278 20 5 DDBDRO CN(C(=O)CN1CC[C@H]2CC[C@]21C[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000903858671 711305365 /nfs/dbraw/zinc/30/53/65/711305365.db2.gz XQQHKLUJDYMUGN-WBMJQRKESA-N 1 0 318.377 1.371 20 5 DDBDRO CO[C@H]1C[NH2+][C@](C)(C(=O)NCc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000877241092 706029903 /nfs/dbraw/zinc/02/99/03/706029903.db2.gz MXDUVJPXGVGRFE-DOMZBBRYSA-N 1 0 307.350 1.286 20 5 DDBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877286705 706048960 /nfs/dbraw/zinc/04/89/60/706048960.db2.gz GPYKUZUSLKOIOM-PYMSSDGJSA-N 1 0 301.346 1.961 20 5 DDBDRO COC[C@@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)[C@H]1CCCO1 ZINC000877490212 706121831 /nfs/dbraw/zinc/12/18/31/706121831.db2.gz UPYPVQPYJJKFKT-GVOSGWPFSA-N 1 0 310.354 1.278 20 5 DDBDRO COC(=O)C1CC([NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000877721225 706189201 /nfs/dbraw/zinc/18/92/01/706189201.db2.gz JYEMSVUDHKXATA-UHFFFAOYSA-N 1 0 322.317 1.407 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)[NH2+][C@@H]2CC[C@@H]2C2CC2)cc1 ZINC000877831431 706227182 /nfs/dbraw/zinc/22/71/82/706227182.db2.gz TULPHMWIMWXSKU-KLHDSHLOSA-N 1 0 306.362 1.767 20 5 DDBDRO CC(C)CN(CC1CC[NH+](C)CC1)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000829583777 706361212 /nfs/dbraw/zinc/36/12/12/706361212.db2.gz LROLNIDEAZSNQK-UHFFFAOYSA-N 1 0 323.397 1.758 20 5 DDBDRO [NH3+]C[C@H]1CCCN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000832452447 706916857 /nfs/dbraw/zinc/91/68/57/706916857.db2.gz MFPVHAMBKDUWHO-LLVKDONJSA-N 1 0 317.349 1.142 20 5 DDBDRO C[C@@H]1CC[C@H](CO)[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000880441028 706977477 /nfs/dbraw/zinc/97/74/77/706977477.db2.gz OHIZDHFCARDRQZ-ZWNOBZJWSA-N 1 0 308.334 1.807 20 5 DDBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000832866014 706996393 /nfs/dbraw/zinc/99/63/93/706996393.db2.gz PCUXPUDCXYGGFE-IUODEOHRSA-N 1 0 323.393 1.865 20 5 DDBDRO O=[N+]([O-])c1ccc(OCC[NH+]2CCC3(CC2)COCCO3)cc1 ZINC000880543067 707011231 /nfs/dbraw/zinc/01/12/31/707011231.db2.gz ZUMCVCMROKKXDX-UHFFFAOYSA-N 1 0 322.361 1.855 20 5 DDBDRO O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N[C@H]1CCC[NH2+]CC1 ZINC000834579061 707089212 /nfs/dbraw/zinc/08/92/12/707089212.db2.gz KZLZOWIDSSHYBS-LBPRGKRZSA-N 1 0 317.349 1.203 20 5 DDBDRO CS[C@H]1C[C@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000872224901 707337426 /nfs/dbraw/zinc/33/74/26/707337426.db2.gz QRKBQTZBTOXEMM-JKOKRWQUSA-N 1 0 312.391 1.818 20 5 DDBDRO C[C@H]([NH2+][C@H]1CCc2nnn(C)c2C1)c1ccc([N+](=O)[O-])cc1 ZINC000927143499 712946828 /nfs/dbraw/zinc/94/68/28/712946828.db2.gz AFUALGVBOWCQLE-JQWIXIFHSA-N 1 0 301.350 1.931 20 5 DDBDRO CC(C)[N@@H+]1CCCC[C@H]1COC(=O)c1c([N+](=O)[O-])cnn1C ZINC000837609793 707695113 /nfs/dbraw/zinc/69/51/13/707695113.db2.gz PYUCAOIOIKCZHT-NSHDSACASA-N 1 0 310.354 1.748 20 5 DDBDRO COc1cc(F)c([N+](=O)[O-])c(NC[C@H]2CSCC[NH2+]2)c1 ZINC000882728697 707763764 /nfs/dbraw/zinc/76/37/64/707763764.db2.gz FUANBCLAIWBXPZ-QMMMGPOBSA-N 1 0 301.343 1.859 20 5 DDBDRO Cc1ccc(C[NH2+]CC[C@@H]2CCCS2(=O)=O)cc1[N+](=O)[O-] ZINC000883300821 707970755 /nfs/dbraw/zinc/97/07/55/707970755.db2.gz JIAIYGVUPLEPGN-ZDUSSCGKSA-N 1 0 312.391 1.960 20 5 DDBDRO CN1CC[C@H]1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000896594972 708092402 /nfs/dbraw/zinc/09/24/02/708092402.db2.gz FDPPRDIIZMNDRL-ZDUSSCGKSA-N 1 0 305.382 1.252 20 5 DDBDRO C[N@H+](CCO)CCNc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000884825245 708387916 /nfs/dbraw/zinc/38/79/16/708387916.db2.gz NASBFQKWDPKIBS-UHFFFAOYSA-N 1 0 316.361 1.993 20 5 DDBDRO C[N@H+](CCO)CCNc1ncc([N+](=O)[O-])cc1Br ZINC000884824790 708388138 /nfs/dbraw/zinc/38/81/38/708388138.db2.gz NUKRKOQEDURMMM-UHFFFAOYSA-N 1 0 319.159 1.088 20 5 DDBDRO O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000885855389 708640362 /nfs/dbraw/zinc/64/03/62/708640362.db2.gz PWCJXTYBNKSKCW-HNNXBMFYSA-N 1 0 319.361 1.578 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@@](CO)(C(F)(F)F)C2)n1 ZINC000886799701 708847231 /nfs/dbraw/zinc/84/72/31/708847231.db2.gz VLBOFNFCCZMHFT-SNVBAGLBSA-N 1 0 308.260 1.038 20 5 DDBDRO O=[N+]([O-])CC[NH2+]CC1(c2ccc3c(c2)OCO3)CCOCC1 ZINC000899877179 709224621 /nfs/dbraw/zinc/22/46/21/709224621.db2.gz XBLCRJJFEHGOLH-UHFFFAOYSA-N 1 0 308.334 1.330 20 5 DDBDRO CC(C)(C)OC(=O)N1CC2(C1)CC[C@@H](C[NH2+]CC[N+](=O)[O-])O2 ZINC000899891007 709228628 /nfs/dbraw/zinc/22/86/28/709228628.db2.gz GARICRANURZUHM-NSHDSACASA-N 1 0 315.370 1.021 20 5 DDBDRO C[NH+]1CCC2(CCN2C(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000889223229 709464082 /nfs/dbraw/zinc/46/40/82/709464082.db2.gz RIDFGGGVOUBMID-UHFFFAOYSA-N 1 0 304.350 1.487 20 5 DDBDRO C[N@@H+]1CCC[C@](O)(CC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000900288494 709522852 /nfs/dbraw/zinc/52/28/52/709522852.db2.gz YWTPISDKTGSPJU-HNNXBMFYSA-N 1 0 307.350 1.058 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CCC([NH2+]C3CCC3)CC2)n1 ZINC000889827125 709650208 /nfs/dbraw/zinc/65/02/08/709650208.db2.gz BHHQJXUPPZXVPQ-UHFFFAOYSA-N 1 0 321.381 1.558 20 5 DDBDRO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912920932 713125047 /nfs/dbraw/zinc/12/50/47/713125047.db2.gz DQTFYZNDBKTEGC-NSHDSACASA-N 1 0 315.333 1.391 20 5 DDBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000891409572 710190166 /nfs/dbraw/zinc/19/01/66/710190166.db2.gz HVLAODLDPVTUCV-GDBMZVCRSA-N 1 0 318.377 1.721 20 5 DDBDRO Cn1c2ccccc2c(N2C[C@H]3C[NH2+]C[C@@H]3C2)c([N+](=O)[O-])c1=O ZINC000891930041 710330612 /nfs/dbraw/zinc/33/06/12/710330612.db2.gz VANHNRBBDSBVRP-GHMZBOCLSA-N 1 0 314.345 1.102 20 5 DDBDRO O=[N+]([O-])c1c2nonc2ccc1N1CC[NH+](C2CCC2)CC1 ZINC000892518166 710450744 /nfs/dbraw/zinc/45/07/44/710450744.db2.gz ZHFYIHLGSNQXBT-UHFFFAOYSA-N 1 0 303.322 1.806 20 5 DDBDRO O=C(NCc1cc([N+](=O)[O-])c(F)cc1F)C12CC[NH+](CC1)C2 ZINC000911472850 710812484 /nfs/dbraw/zinc/81/24/84/710812484.db2.gz PLMDTGKNDJQGTF-UHFFFAOYSA-N 1 0 311.288 1.585 20 5 DDBDRO C[N@@H+]1C[C@H]2CCN(c3ncnc4sc([N+](=O)[O-])cc43)[C@@H]2C1 ZINC000893941961 710894796 /nfs/dbraw/zinc/89/47/96/710894796.db2.gz XULUMRVBBJOEQD-PSASIEDQSA-N 1 0 305.363 1.740 20 5 DDBDRO C[C@@H]1CN(C(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)CC[NH2+]1 ZINC000911812662 711008983 /nfs/dbraw/zinc/00/89/83/711008983.db2.gz TVIOGQGNDLSLHQ-SNVBAGLBSA-N 1 0 321.333 1.190 20 5 DDBDRO COc1cc([C@@H](C)[NH2+]CC[C@@H]2CNC(=O)C2)cc([N+](=O)[O-])c1 ZINC000903225993 711072521 /nfs/dbraw/zinc/07/25/21/711072521.db2.gz JFQANZLQYLSCJE-MNOVXSKESA-N 1 0 307.350 1.780 20 5 DDBDRO CC[N@H+]1[C@H](C)CN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000912024919 711128847 /nfs/dbraw/zinc/12/88/47/711128847.db2.gz WEZOVDNTYBHDMO-TXEJJXNPSA-N 1 0 323.397 1.468 20 5 DDBDRO CN(CC[N@H+](C)CCO)c1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000894591808 711198620 /nfs/dbraw/zinc/19/86/20/711198620.db2.gz WBQXMKYERQHMAD-UHFFFAOYSA-N 1 0 308.382 1.229 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCN(C[C@H]3CCCC[NH2+]C3)CC2)cn1 ZINC000903723271 711255290 /nfs/dbraw/zinc/25/52/90/711255290.db2.gz GWODTVUCMNKEIB-AWEZNQCLSA-N 1 0 319.409 1.502 20 5 DDBDRO [NH3+]CCc1ccc2c(c1)CCCN2CCn1ccc([N+](=O)[O-])n1 ZINC000903869831 711309397 /nfs/dbraw/zinc/30/93/97/711309397.db2.gz HZYLTRIQIQLYHS-UHFFFAOYSA-N 1 0 315.377 1.745 20 5 DDBDRO O=[N+]([O-])c1ccccc1-c1nnn(CCC[NH+]2CCCC2)n1 ZINC000912459198 711337282 /nfs/dbraw/zinc/33/72/82/711337282.db2.gz QMBYEVMLFDQHSH-UHFFFAOYSA-N 1 0 302.338 1.734 20 5 DDBDRO C[C@@H](Nc1c(F)cc([N+](=O)[O-])cc1F)[C@H]1C[N@H+](C)CCN1C ZINC000895249498 711465625 /nfs/dbraw/zinc/46/56/25/711465625.db2.gz UVQBBJUJDQHKMM-NOZJJQNGSA-N 1 0 314.336 1.919 20 5 DDBDRO COc1c(O)ccc(C[N@@H+]2CC[C@H]3COC[C@H]3C2)c1[N+](=O)[O-] ZINC000895444168 711513902 /nfs/dbraw/zinc/51/39/02/711513902.db2.gz RFGFWHZJYRQKMC-NWDGAFQWSA-N 1 0 308.334 1.777 20 5 DDBDRO C[C@H]1[C@H](Nc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)CC[N@@H+]1C ZINC000895735150 711590346 /nfs/dbraw/zinc/59/03/46/711590346.db2.gz VFKUYKZQOAFIRI-IINYFYTJSA-N 1 0 318.377 1.992 20 5 DDBDRO C[C@@H]1[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCN1C ZINC000896555081 711750096 /nfs/dbraw/zinc/75/00/96/711750096.db2.gz YAUGWCQSIHOSGP-DOMZBBRYSA-N 1 0 319.409 1.641 20 5 DDBDRO COc1cc(OC)cc(N2CC[C@@H](C[NH2+]CC[N+](=O)[O-])C2)c1 ZINC000905161867 711956168 /nfs/dbraw/zinc/95/61/68/711956168.db2.gz UINHAGCETYRDHA-LBPRGKRZSA-N 1 0 309.366 1.396 20 5 DDBDRO CC[C@@H]([NH2+]CC[N+](=O)[O-])[C@H](c1ccc(C)cc1)n1cncn1 ZINC000905185539 711962055 /nfs/dbraw/zinc/96/20/55/711962055.db2.gz CGXITHDNGGHOSC-CABCVRRESA-N 1 0 303.366 1.821 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]Cc2cscc2Cl)c1 ZINC000905457267 712042515 /nfs/dbraw/zinc/04/25/15/712042515.db2.gz AAECMLPLQVLRNA-JTQLQIEISA-N 1 0 316.770 1.657 20 5 DDBDRO C[C@@H]1[C@@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCN1C ZINC000905541425 712071411 /nfs/dbraw/zinc/07/14/11/712071411.db2.gz OTYZJJSNZBDLMG-UPJWGTAASA-N 1 0 309.366 1.017 20 5 DDBDRO C[C@]1(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCCCO1 ZINC000905592418 712088715 /nfs/dbraw/zinc/08/87/15/712088715.db2.gz YXPCYLDMRHDKIQ-GDBMZVCRSA-N 1 0 324.377 1.883 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1[C@H](C)C[N@H+](C)[C@@H](C)[C@H]1C ZINC000905984565 712209438 /nfs/dbraw/zinc/20/94/38/712209438.db2.gz NCNNTYGLVNKZES-OUAUKWLOSA-N 1 0 309.370 1.039 20 5 DDBDRO O=C([C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000906627901 712373847 /nfs/dbraw/zinc/37/38/47/712373847.db2.gz QRSFPTVYWHAYLK-WMHQRMGPSA-N 1 0 315.373 1.766 20 5 DDBDRO CCOc1ccc(NC(=O)C[NH2+]C(C)(C)CO)c([N+](=O)[O-])c1 ZINC000916572973 713458725 /nfs/dbraw/zinc/45/87/25/713458725.db2.gz RUNNLWFJRYQDAC-UHFFFAOYSA-N 1 0 311.338 1.293 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC000929090337 713543707 /nfs/dbraw/zinc/54/37/07/713543707.db2.gz BDLYBPKHKQYGKA-GWCFXTLKSA-N 1 0 320.349 1.771 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000929350311 713595312 /nfs/dbraw/zinc/59/53/12/713595312.db2.gz NUONNOCYKNCGKB-UHFFFAOYSA-N 1 0 323.397 1.480 20 5 DDBDRO Cc1cncc([N+](=O)[O-])c1NC(=O)N(C)CC(C)(C)C[NH+](C)C ZINC000930873687 713947138 /nfs/dbraw/zinc/94/71/38/713947138.db2.gz AQLVWRPXBCSEIY-UHFFFAOYSA-N 1 0 323.397 1.772 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000931118451 714006335 /nfs/dbraw/zinc/00/63/35/714006335.db2.gz TVANXVPILZAVAO-ZDUSSCGKSA-N 1 0 323.397 1.336 20 5 DDBDRO C[NH+](C)[C@@H]1[C@H]2CN(Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)C[C@H]21 ZINC000931278899 714055359 /nfs/dbraw/zinc/05/53/59/714055359.db2.gz QVMJAOBJKCCARR-HBYGRHMLSA-N 1 0 301.350 1.463 20 5 DDBDRO C[N@H+]1C[C@H]2CC[C@@H](C1)N2C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000931397339 714084238 /nfs/dbraw/zinc/08/42/38/714084238.db2.gz MGTPOFDLVCYROM-ZNMIVQPWSA-N 1 0 321.377 1.113 20 5 DDBDRO C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC000931438997 714098213 /nfs/dbraw/zinc/09/82/13/714098213.db2.gz MGMQUSBUTDCVHD-IJEWVQPXSA-N 1 0 305.378 1.512 20 5 DDBDRO CC(C)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1F)CS(C)(=O)=O ZINC000922739135 714133047 /nfs/dbraw/zinc/13/30/47/714133047.db2.gz BCSLJPONRMJCBS-UHFFFAOYSA-N 1 0 318.370 1.894 20 5 DDBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@]2(CCN(CC[N+](=O)[O-])C2)O1 ZINC000931704874 714165713 /nfs/dbraw/zinc/16/57/13/714165713.db2.gz RZYPANHCMONAFE-NVXWUHKLSA-N 1 0 319.405 1.629 20 5 DDBDRO Cc1c(C[NH2+][C@H]2C[C@@H](O)C23CCOCC3)cccc1[N+](=O)[O-] ZINC000923021410 714216031 /nfs/dbraw/zinc/21/60/31/714216031.db2.gz YWVRYOICHWRPOY-LSDHHAIUSA-N 1 0 306.362 1.923 20 5 DDBDRO C[N@@H+]1CCC[C@@H](NC(=O)CCc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000932072781 714252528 /nfs/dbraw/zinc/25/25/28/714252528.db2.gz ZJUJYOCVVYEWFS-CYBMUJFWSA-N 1 0 309.341 1.877 20 5 DDBDRO C[C@@H]1[NH2+]CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000923345589 714321853 /nfs/dbraw/zinc/32/18/53/714321853.db2.gz LVNUDUDVOFTMLV-RWMBFGLXSA-N 1 0 309.366 1.017 20 5 DDBDRO CCN(C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000923423547 714351319 /nfs/dbraw/zinc/35/13/19/714351319.db2.gz BREDDTXGIYARMU-STQMWFEESA-N 1 0 309.366 1.018 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+]C1([C@H]2CCCCO2)CC1 ZINC000933375963 714575587 /nfs/dbraw/zinc/57/55/87/714575587.db2.gz UQNRKIVBFCRXLI-CYBMUJFWSA-N 1 0 307.350 1.448 20 5 DDBDRO Cn1cc(C[NH2+][C@@](C)(CO)Cc2ccccc2F)c([N+](=O)[O-])n1 ZINC000933426929 714586036 /nfs/dbraw/zinc/58/60/36/714586036.db2.gz CCCBQQQKBRGWMX-OAHLLOKOSA-N 1 0 322.340 1.551 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000934889909 714925105 /nfs/dbraw/zinc/92/51/05/714925105.db2.gz KUJIQDSEROSXDY-OLZOCXBDSA-N 1 0 321.381 1.042 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000935939782 715139110 /nfs/dbraw/zinc/13/91/10/715139110.db2.gz NBBFCJWIRVYNNI-DGCLKSJQSA-N 1 0 321.381 1.185 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)nc1Cl ZINC001164664944 719385825 /nfs/dbraw/zinc/38/58/25/719385825.db2.gz DAHCHOGOLPNYCK-MNOVXSKESA-N 1 0 312.757 1.471 20 5 DDBDRO COC(=O)COc1c(C)cc(N[C@H]2CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC001167281240 732896606 /nfs/dbraw/zinc/89/66/06/732896606.db2.gz POVCZFQIGFGJIO-NSHDSACASA-N 1 0 323.349 1.571 20 5 DDBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)c1cc[nH]c1 ZINC001022115997 734395645 /nfs/dbraw/zinc/39/56/45/734395645.db2.gz RIVMAZKRYWUCGL-OKILXGFUSA-N 1 0 314.345 1.974 20 5 DDBDRO [NH3+]CCc1ccn(-c2ccc(-c3cccc([N+](=O)[O-])c3)nn2)n1 ZINC001167729644 737190687 /nfs/dbraw/zinc/19/06/87/737190687.db2.gz PDPWGERBLOMUMU-UHFFFAOYSA-N 1 0 310.317 1.739 20 5 DDBDRO COC(=O)c1ncc([N+](=O)[O-])c(C)c1NC1(C)CC[NH2+]CC1 ZINC001168187227 741768998 /nfs/dbraw/zinc/76/89/98/741768998.db2.gz NXFSONBPLRBZEP-UHFFFAOYSA-N 1 0 308.338 1.639 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])c(-n2cc(C[NH3+])cn2)cc1OC ZINC001168259058 741851753 /nfs/dbraw/zinc/85/17/53/741851753.db2.gz LEJAJWBQLUIIHW-UHFFFAOYSA-N 1 0 306.278 1.034 20 5 DDBDRO O=C(NCC[NH2+]Cc1cc2ccccc2o1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126932275 742776538 /nfs/dbraw/zinc/77/65/38/742776538.db2.gz POWNISBZKPTTSF-CHWSQXEVSA-N 1 0 303.318 1.304 20 5 DDBDRO O=C(NC1CC[NH+](CC2CC(F)(F)C2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001002788853 743431533 /nfs/dbraw/zinc/43/15/33/743431533.db2.gz PZVKYCLTVKPULN-VXGBXAGGSA-N 1 0 317.336 1.278 20 5 DDBDRO NC(=[NH2+])c1nccn1-c1nccc(Br)c1[N+](=O)[O-] ZINC001168417854 744337409 /nfs/dbraw/zinc/33/74/09/744337409.db2.gz NUUYNVAIJCJYLL-UHFFFAOYSA-N 1 0 311.099 1.222 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CN1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC001198270679 747444417 /nfs/dbraw/zinc/44/44/17/747444417.db2.gz OATGXUPMTANCDT-CJNGLKHVSA-N 1 0 305.378 1.987 20 5 DDBDRO CCN(CCNc1ccc([N+](=O)[O-])cn1)C(=O)Cc1cnc[nH]1 ZINC001106961446 748339619 /nfs/dbraw/zinc/33/96/19/748339619.db2.gz JUPMATZZNIIRAP-UHFFFAOYSA-N 1 0 318.337 1.216 20 5 DDBDRO CN(C)c1ccc(NCCC[NH+]2CCN(C)CC2)c([N+](=O)[O-])c1 ZINC001161710592 748478766 /nfs/dbraw/zinc/47/87/66/748478766.db2.gz TWZGDNNWZBBWME-UHFFFAOYSA-N 1 0 321.425 1.710 20 5 DDBDRO CN1CCN(C(=[NH2+])Nc2ccc3nsnc3c2[N+](=O)[O-])CC1 ZINC001168737433 748524959 /nfs/dbraw/zinc/52/49/59/748524959.db2.gz WXHSEDQPZAGXGX-UHFFFAOYSA-N 1 0 321.366 1.194 20 5 DDBDRO Cc1ncn(-c2cnc(F)c([N+](=O)[O-])c2)c1CSCC[NH3+] ZINC001168790369 761959954 /nfs/dbraw/zinc/95/99/54/761959954.db2.gz IJTQKUCFFUXJFG-UHFFFAOYSA-N 1 0 311.342 1.815 20 5 DDBDRO C[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168970440 762159060 /nfs/dbraw/zinc/15/90/60/762159060.db2.gz HPHHPXAWDCGTRN-IJLUTSLNSA-N 1 0 301.387 1.935 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2cc(OC3CCC3)ncn2)C1 ZINC001168997386 762169651 /nfs/dbraw/zinc/16/96/51/762169651.db2.gz YYGXYJVAMDAMQM-VXGBXAGGSA-N 1 0 306.366 1.943 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2ccnn2CC(F)(F)F)C1 ZINC001168998142 762170011 /nfs/dbraw/zinc/17/00/11/762170011.db2.gz ISDQLMWMVMFHGJ-ZJUUUORDSA-N 1 0 306.288 1.980 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C2CCN(c3ccncn3)CC2)C1 ZINC001168999692 762171591 /nfs/dbraw/zinc/17/15/91/762171591.db2.gz 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O=C1OCCCN1C1CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169048436 762205412 /nfs/dbraw/zinc/20/54/12/762205412.db2.gz VEKNHGVWGJSOMS-JSGCOSHPSA-N 1 0 311.382 1.739 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@@H](Oc3cnccn3)C2)C1 ZINC001169053888 762209086 /nfs/dbraw/zinc/20/90/86/762209086.db2.gz JYLIBIAEYKRAEZ-MGPQQGTHSA-N 1 0 306.366 1.765 20 5 DDBDRO CCOC(=O)c1cnc(NCC[C@H]2CCC[NH2+]2)c([N+](=O)[O-])c1 ZINC001169559042 762506041 /nfs/dbraw/zinc/50/60/41/762506041.db2.gz YOUAHQWJSHYVMD-LLVKDONJSA-N 1 0 308.338 1.721 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCN1C ZINC000829037760 759864349 /nfs/dbraw/zinc/86/43/49/759864349.db2.gz JFKOHHXKLXJHJS-SWLSCSKDSA-N 1 0 320.393 1.267 20 5 DDBDRO CN1CCC(CNc2ncc(F)cc2[N+](=O)[O-])([NH+](C)C)CC1 ZINC001156177033 761856138 /nfs/dbraw/zinc/85/61/38/761856138.db2.gz YPAMHNKFQGIAJE-UHFFFAOYSA-N 1 0 311.361 1.567 20 5 DDBDRO C[NH+]1CCC2(CCN(c3cc([N+](=O)[O-])cc[n+]3[O-])CC2)CC1 ZINC001156563631 763212438 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1.131 20 5 DDBDRO O=[N+]([O-])c1cc(F)cc2ccc(N[C@H]3C[NH2+]C[C@H]3CO)nc21 ZINC001170775408 771205295 /nfs/dbraw/zinc/20/52/95/771205295.db2.gz CRHAULYRKNQSQI-ONGXEEELSA-N 1 0 306.297 1.274 20 5 DDBDRO C[C@H](Nc1nc(Cl)nc(Cl)c1[N+](=O)[O-])[C@H]1C[NH2+]CCO1 ZINC001159497497 771613440 /nfs/dbraw/zinc/61/34/40/771613440.db2.gz OGVXAESJROISKU-NTSWFWBYSA-N 1 0 322.152 1.480 20 5 DDBDRO O=C(CCn1cccc1)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001135736641 771680558 /nfs/dbraw/zinc/68/05/58/771680558.db2.gz GOUHRHCISMOUTM-UHFFFAOYSA-N 1 0 322.390 1.754 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])ncc1N[C@H]1C[C@H]2CC[N@H+](C1)[C@H]2C ZINC001170978557 772004683 /nfs/dbraw/zinc/00/46/83/772004683.db2.gz BDWUNFTWPRBOBO-AXFHLTTASA-N 1 0 320.349 1.671 20 5 DDBDRO C[NH+](C)C1(C(=O)NCCNc2ncccc2[N+](=O)[O-])CCC1 ZINC001093926911 775219594 /nfs/dbraw/zinc/21/95/94/775219594.db2.gz QEKKUOYZEWAGCV-UHFFFAOYSA-N 1 0 307.354 1.002 20 5 DDBDRO CN(CCNC(=O)C[NH+]1CCCC1)c1ccccc1[N+](=O)[O-] ZINC001100115579 775700949 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CC[N@@H+]1C[C@H](NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C(C)(C)C1 ZINC001178860600 779215013 /nfs/dbraw/zinc/21/50/13/779215013.db2.gz GFNDWRYQWJKZDM-NSHDSACASA-N 1 0 308.338 1.156 20 5 DDBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@H]2C[C@@H](O)[C@@H](O)C2)o1 ZINC001179603321 779425728 /nfs/dbraw/zinc/42/57/28/779425728.db2.gz WAGNNMINGZVINL-UVGIYENGSA-N 1 0 318.329 1.829 20 5 DDBDRO O=[N+]([O-])c1cc2c(cc1CN1C[C@H](O)C3(CC3)C1)OCCO2 ZINC001116696702 780545258 /nfs/dbraw/zinc/54/52/58/780545258.db2.gz RNBCSLYMGPHZJY-AWEZNQCLSA-N 1 0 306.318 1.323 20 5 DDBDRO Cc1nc(N2CCC(C)([NH+]3CCOCC3)CC2)ncc1[N+](=O)[O-] ZINC001118809430 781243982 /nfs/dbraw/zinc/24/39/82/781243982.db2.gz FFTNWUAYEIUNBU-UHFFFAOYSA-N 1 0 321.381 1.384 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC001119324771 781404227 /nfs/dbraw/zinc/40/42/27/781404227.db2.gz JWJYYHXIESRVTE-OAHLLOKOSA-N 1 0 306.366 1.539 20 5 DDBDRO CC(C)(C)[N@@H+]1CC[C@H]1C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC001119450845 781458432 /nfs/dbraw/zinc/45/84/32/781458432.db2.gz YYYKXEORJGUMPI-AWEZNQCLSA-N 1 0 320.393 1.996 20 5 DDBDRO [NH3+]C1CCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC001326351985 861300130 /nfs/dbraw/zinc/30/01/30/861300130.db2.gz BWKFZRJPFLOWLS-UHFFFAOYSA-N 1 0 316.317 1.412 20 5 DDBDRO O=C(COc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CC[NH2+]CC1 ZINC001326806936 861622551 /nfs/dbraw/zinc/62/25/51/861622551.db2.gz YBSXWGCILSAHLK-UHFFFAOYSA-N 1 0 317.704 1.198 20 5 DDBDRO Cc1ccc(F)c(C[NH2+]C/C=C\CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC001274014631 851851262 /nfs/dbraw/zinc/85/12/62/851851262.db2.gz BAFVQJRIQLNMHE-KXAWDHGWSA-N 1 0 321.352 1.561 20 5 DDBDRO O=C(NCCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1cocn1 ZINC001155732145 862413341 /nfs/dbraw/zinc/41/33/41/862413341.db2.gz WYJXUMWXJLJMDR-UHFFFAOYSA-N 1 0 310.335 1.554 20 5 DDBDRO Cc1ncc([N+](=O)[O-])c(NCC2([NH+](C)C)CCN(C)CC2)n1 ZINC001156182475 862787931 /nfs/dbraw/zinc/78/79/31/862787931.db2.gz VHYPFXIJSLYSAJ-UHFFFAOYSA-N 1 0 308.386 1.131 20 5 DDBDRO Cc1cc(C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)c(N)c([N+](=O)[O-])c1 ZINC001328506150 863014304 /nfs/dbraw/zinc/01/43/04/863014304.db2.gz QHWLYEALXFROKJ-MEBBXXQBSA-N 1 0 304.350 1.439 20 5 DDBDRO [NH3+]C1CC2(C1)CC(NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)C2 ZINC001122521860 858866081 /nfs/dbraw/zinc/86/60/81/858866081.db2.gz FTASGTNDLMFKHI-UTCJRWHESA-N 1 0 301.346 1.994 20 5 DDBDRO C[C@H](COC(=O)/C=C\c1ccc(OCC[NH+](C)C)cc1)[N+](=O)[O-] ZINC001122950229 859022357 /nfs/dbraw/zinc/02/23/57/859022357.db2.gz HEIYMZPVBRZGSY-OYVUYXNMSA-N 1 0 322.361 1.849 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@H]1C[N@H+]2CCN1C[C@H]2C ZINC001123879895 859452382 /nfs/dbraw/zinc/45/23/82/859452382.db2.gz JVSVCNQCEQGZSZ-BXUZGUMPSA-N 1 0 318.377 1.538 20 5 DDBDRO [NH3+]C[C@@H]1CCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC001326047769 861065196 /nfs/dbraw/zinc/06/51/96/861065196.db2.gz OJBRFBJURHNSIK-VIFPVBQESA-N 1 0 316.317 1.269 20 5 DDBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N(C)[C@@]1(C)CCC[NH2+]C1 ZINC001156968400 863484933 /nfs/dbraw/zinc/48/49/33/863484933.db2.gz RMCPXWCJBNGLGP-HNNXBMFYSA-N 1 0 322.365 1.745 20 5 DDBDRO Cc1cnc(N(c2cnccn2)C2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC001157538224 863899235 /nfs/dbraw/zinc/89/92/35/863899235.db2.gz XTLOBWRPUJBWSD-UHFFFAOYSA-N 1 0 314.349 1.978 20 5 DDBDRO C[C@@H](CCCC(C)(C)O)Nc1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001157896065 864234328 /nfs/dbraw/zinc/23/43/28/864234328.db2.gz CWBHKCWJOXOFBY-JTQLQIEISA-N 1 0 323.397 1.813 20 5 DDBDRO CC(F)(F)C(=O)NCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001154114164 864419400 /nfs/dbraw/zinc/41/94/00/864419400.db2.gz GJAQUQBGVMBXJQ-UHFFFAOYSA-N 1 0 307.322 1.907 20 5 DDBDRO Cc1c[nH+]ccc1N1CCN(c2nc(C)ncc2[N+](=O)[O-])CC1 ZINC001158106674 864431963 /nfs/dbraw/zinc/43/19/63/864431963.db2.gz XRUCIKBRUXIEEO-UHFFFAOYSA-N 1 0 314.349 1.723 20 5 DDBDRO COc1cnc(NCc2ncn3c2C[NH2+]CCC3)c([N+](=O)[O-])c1 ZINC001158359332 864602522 /nfs/dbraw/zinc/60/25/22/864602522.db2.gz IOXIXYZURUSTQX-UHFFFAOYSA-N 1 0 318.337 1.300 20 5 DDBDRO COc1cc(C(=O)N(CC[NH3+])CC(F)(F)F)ccc1[N+](=O)[O-] ZINC001330896648 864686354 /nfs/dbraw/zinc/68/63/54/864686354.db2.gz UWWGYTBZXQSNHM-UHFFFAOYSA-N 1 0 321.255 1.567 20 5 DDBDRO COC(=O)c1cnc(N2CCC[C@](C)(C[NH3+])C2)c([N+](=O)[O-])c1 ZINC001158676197 864805708 /nfs/dbraw/zinc/80/57/08/864805708.db2.gz YHSBHMXHAIORCG-CQSZACIVSA-N 1 0 308.338 1.342 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC001331463341 865100942 /nfs/dbraw/zinc/10/09/42/865100942.db2.gz MALHFCHWZIBHPX-JTQLQIEISA-N 1 0 313.304 1.878 20 5 DDBDRO O=[N+]([O-])c1c(Cl)cc(Cl)nc1N[C@@H]1C[NH2+]C[C@@H]1CO ZINC001159677612 865465050 /nfs/dbraw/zinc/46/50/50/865465050.db2.gz LFEDJCJXSFPZKA-IYSWYEEDSA-N 1 0 307.137 1.289 20 5 DDBDRO O=[N+]([O-])c1ccc2nc(Cl)cc(N[C@@H]3C[NH2+]C[C@H]3CO)c2c1 ZINC001159683323 865469947 /nfs/dbraw/zinc/46/99/47/865469947.db2.gz VCHGQQBBTUSGIU-ISVAXAHUSA-N 1 0 322.752 1.789 20 5 DDBDRO C[C@@H]1CN(c2ncc([N+](=O)[O-])c(N)n2)CC[N@@H+]1C1CCCC1 ZINC001332008376 865498061 /nfs/dbraw/zinc/49/80/61/865498061.db2.gz ZGBBYJDSBPJNHQ-SNVBAGLBSA-N 1 0 306.370 1.420 20 5 DDBDRO NC(=O)COC1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC001320509660 866787832 /nfs/dbraw/zinc/78/78/32/866787832.db2.gz QPJLAICOOLDDGY-HWKANZROSA-N 1 0 319.361 1.574 20 5 DDBDRO COCCC1([NH3+])CCN(c2ncc(OC)cc2[N+](=O)[O-])CC1 ZINC001162041570 867212099 /nfs/dbraw/zinc/21/20/99/867212099.db2.gz MJMZJYWLUAHHGX-UHFFFAOYSA-N 1 0 310.354 1.333 20 5 DDBDRO COc1cnc(-n2c(C[NH3+])nc3cnccc32)c([N+](=O)[O-])c1 ZINC001162215540 867349383 /nfs/dbraw/zinc/34/93/83/867349383.db2.gz GVNGULGPISDLHI-UHFFFAOYSA-N 1 0 300.278 1.191 20 5 DDBDRO CN(C)/C=C/c1cc(N[C@@H]2C=C[C@H]3C[NH2+]C[C@@H]32)ncc1[N+](=O)[O-] ZINC001162798731 867832915 /nfs/dbraw/zinc/83/29/15/867832915.db2.gz UMYKEWIYQUZRII-IEFPBGJLSA-N 1 0 315.377 1.708 20 5 DDBDRO [NH3+][C@@H]1Cc2ccccc2N(c2ccc([N+](=O)[O-])c3c2CNC3=O)C1 ZINC001162853347 867874318 /nfs/dbraw/zinc/87/43/18/867874318.db2.gz HYVWTXQJZQITMB-LLVKDONJSA-N 1 0 324.340 1.860 20 5 DDBDRO COC(=O)[C@@H](Nc1cc(F)cc(F)c1[N+](=O)[O-])C(C)(C)[NH3+] ZINC001162947609 867936007 /nfs/dbraw/zinc/93/60/07/867936007.db2.gz PTDXKQPLECGWIZ-SNVBAGLBSA-N 1 0 303.265 1.564 20 5 DDBDRO COC(=O)[C@@H](Nc1cc([N+](=O)[O-])ccc1Cl)C(C)(C)[NH3+] ZINC001162947807 867936961 /nfs/dbraw/zinc/93/69/61/867936961.db2.gz ZZZDJKAJWZTEPU-SNVBAGLBSA-N 1 0 301.730 1.939 20 5 DDBDRO Nc1cc([N+](=O)[O-])cnc1Nc1ccc([C@@H](C[NH3+])CO)cc1 ZINC001163053780 868040931 /nfs/dbraw/zinc/04/09/31/868040931.db2.gz UTGQENXYDSJTFC-JTQLQIEISA-N 1 0 303.322 1.350 20 5 DDBDRO COc1c(F)cc(N[C@@H]2COCCC23C[NH2+]C3)cc1[N+](=O)[O-] ZINC001163071986 868055098 /nfs/dbraw/zinc/05/50/98/868055098.db2.gz GWDROQZMAWTLKF-GFCCVEGCSA-N 1 0 311.313 1.533 20 5 DDBDRO O=[N+]([O-])c1cccc2cnc(N[C@@H]3COCCC34C[NH2+]C4)nc21 ZINC001163075083 868058377 /nfs/dbraw/zinc/05/83/77/868058377.db2.gz XPVJBKNOEWVDBQ-GFCCVEGCSA-N 1 0 315.333 1.328 20 5 DDBDRO CN1Cc2cc(NC[C@@H]3CO[C@@H]4C[NH2+]C[C@H]34)cc([N+](=O)[O-])c2N1 ZINC001163111312 868110876 /nfs/dbraw/zinc/11/08/76/868110876.db2.gz NZRWEALJVCXHLO-MPKXVKKWSA-N 1 0 319.365 1.013 20 5 DDBDRO CC(C)(C)c1cnc(N[C@@H]2C[NH2+][C@@H]3COC[C@H]23)c([N+](=O)[O-])c1 ZINC001163137372 868147808 /nfs/dbraw/zinc/14/78/08/868147808.db2.gz GVNLYJYLSXVUBQ-IJLUTSLNSA-N 1 0 306.366 1.686 20 5 DDBDRO O=[N+]([O-])c1cc(NC[C@]23C[NH2+]C[C@H]2COC3)cc2cc[nH]c21 ZINC001163154507 868167427 /nfs/dbraw/zinc/16/74/27/868167427.db2.gz OVIGFXBILFTIRZ-NHYWBVRUSA-N 1 0 302.334 1.724 20 5 DDBDRO C[C@@H]1CC[C@@H](C[NH3+])N(c2cc([N+](=O)[O-])cc(Cl)[n+]2[O-])C1 ZINC001164073637 868925927 /nfs/dbraw/zinc/92/59/27/868925927.db2.gz NKJGMDKQNIRWOE-BDAKNGLRSA-N 1 0 300.746 1.445 20 5 DDBDRO O=C(CC[NH2+][C@@H]1CN2CCC1CC2)Nc1ccccc1[N+](=O)[O-] ZINC001336702131 869101117 /nfs/dbraw/zinc/10/11/17/869101117.db2.gz AIJBCURKEJVZSD-CQSZACIVSA-N 1 0 318.377 1.607 20 5 DDBDRO COC(=O)c1ccnc(N2CCC[C@@H]2C[NH+](C)C)c1[N+](=O)[O-] ZINC001165078437 869365212 /nfs/dbraw/zinc/36/52/12/869365212.db2.gz XFBGHDMNGAOPPG-SNVBAGLBSA-N 1 0 308.338 1.307 20 5 DDBDRO C[N@H+]1C[C@H]2CN(c3nc(Cl)nc(Cl)c3[N+](=O)[O-])C[C@H]2C1 ZINC001165147395 869408053 /nfs/dbraw/zinc/40/80/53/869408053.db2.gz IWTDPYCZDHPWAM-KNVOCYPGSA-N 1 0 318.164 1.689 20 5 DDBDRO CC(C)Oc1nc(N2C[C@@H]3C[NH+](C)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC001165149856 869409759 /nfs/dbraw/zinc/40/97/59/869409759.db2.gz NCWHGISEOVUPSR-RYUDHWBXSA-N 1 0 306.366 1.775 20 5 DDBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CCC2(CCCC[NH2+]2)CC1 ZINC001165246593 869463526 /nfs/dbraw/zinc/46/35/26/869463526.db2.gz IRZZUROSYPJPOC-UHFFFAOYSA-N 1 0 306.366 1.649 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@H](O)c2ccncc2)cc1 ZINC001338420232 869971602 /nfs/dbraw/zinc/97/16/02/869971602.db2.gz WEUPGDSGQZRKPT-CABCVRRESA-N 1 0 303.318 1.346 20 5 DDBDRO C[C@H](NC(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1ccc([N+](=O)[O-])cc1 ZINC001338610839 870072609 /nfs/dbraw/zinc/07/26/09/870072609.db2.gz ZDUIRHGDLWJNSW-BNQQVVLKSA-N 1 0 304.350 1.848 20 5 DDBDRO CN(CCc1ccncc1)c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001166627569 870109460 /nfs/dbraw/zinc/10/94/60/870109460.db2.gz PWIDBCIIJBYEBF-UHFFFAOYSA-N 1 0 314.349 1.146 20 5 DDBDRO C[NH2+][C@@H]1CCN(C(=O)NC[C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC001338754169 870150469 /nfs/dbraw/zinc/15/04/69/870150469.db2.gz HTVXRLSHQJYTMX-NWDGAFQWSA-N 1 0 306.366 1.702 20 5 DDBDRO O=[N+]([O-])c1c(NCCc2ccsc2)ncnc1C1C[NH2+]C1 ZINC001166791279 870251599 /nfs/dbraw/zinc/25/15/99/870251599.db2.gz JLZKRWVSUVMQSO-UHFFFAOYSA-N 1 0 305.363 1.788 20 5 DDBDRO CC[C@H](CNc1ccc2ncc([N+](=O)[O-])n2n1)[NH+]1CCCC1 ZINC001339534309 870543966 /nfs/dbraw/zinc/54/39/66/870543966.db2.gz SOVMTIOWQHNYIF-LLVKDONJSA-N 1 0 304.354 1.924 20 5 DDBDRO CC[NH+]1CCN(c2nnc(-c3ccc([N+](=O)[O-])s3)n2C)CC1 ZINC001339542989 870547975 /nfs/dbraw/zinc/54/79/75/870547975.db2.gz FUDHIBRQXAUAKF-UHFFFAOYSA-N 1 0 322.394 1.594 20 5 DDBDRO COc1cc(C[NH2+]CC[C@H]2CC(=O)N(C)C2)c([N+](=O)[O-])cc1O ZINC001203706375 870720749 /nfs/dbraw/zinc/72/07/49/870720749.db2.gz IMFJPMXSJSXIFA-JTQLQIEISA-N 1 0 323.349 1.267 20 5 DDBDRO Cc1ncoc1C(=O)N(C)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001317578984 871130322 /nfs/dbraw/zinc/13/03/22/871130322.db2.gz SPNVCRMHMJWDBF-UHFFFAOYSA-N 1 0 318.333 1.753 20 5 DDBDRO CC[N@@H+]1C[C@H](NC(=O)c2cc([N+](=O)[O-])cnc2N)C(C)(C)C1 ZINC001304042933 871181024 /nfs/dbraw/zinc/18/10/24/871181024.db2.gz PDXVASBSPYWUHN-NSHDSACASA-N 1 0 307.354 1.032 20 5 DDBDRO CNC(=O)[C@@]1(C)CC[N@H+](Cc2ccc(O)c(OC)c2[N+](=O)[O-])C1 ZINC001205555931 871628189 /nfs/dbraw/zinc/62/81/89/871628189.db2.gz YKLVIOFQBPOHLL-HNNXBMFYSA-N 1 0 323.349 1.267 20 5 DDBDRO CC1(C)C[NH2+]C[C@@H]1NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC001341467204 871671711 /nfs/dbraw/zinc/67/17/11/871671711.db2.gz RZJIWKBVXFNBDL-LBPRGKRZSA-N 1 0 309.391 1.801 20 5 DDBDRO CC[NH+](CC)C1CCN(C(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC001342064921 871981129 /nfs/dbraw/zinc/98/11/29/871981129.db2.gz DVKLAIBDUFNTOU-UHFFFAOYSA-N 1 0 321.381 1.750 20 5 DDBDRO CN(CC1CC[NH2+]CC1)C(=O)CNc1ccccc1[N+](=O)[O-] ZINC001342120519 872018009 /nfs/dbraw/zinc/01/80/09/872018009.db2.gz FLCMJXQROZIDOL-UHFFFAOYSA-N 1 0 306.366 1.465 20 5 DDBDRO O=C(COc1ccccc1[N+](=O)[O-])NC[C@H]1CCCCC[NH2+]1 ZINC001342207219 872067866 /nfs/dbraw/zinc/06/78/66/872067866.db2.gz XLWPWNIKTHUBHE-GFCCVEGCSA-N 1 0 307.350 1.622 20 5 DDBDRO C[C@H](CNC(=O)C[NH2+]C[C@@H]1CCCO1)c1ccccc1[N+](=O)[O-] ZINC001342831679 872405517 /nfs/dbraw/zinc/40/55/17/872405517.db2.gz HQZXVIXHYLNQKL-OLZOCXBDSA-N 1 0 321.377 1.583 20 5 DDBDRO O=C([C@H]1[NH2+]CC12CCCC2)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001343097727 872498680 /nfs/dbraw/zinc/49/86/80/872498680.db2.gz HRAQLDSQDKRQEY-CQSZACIVSA-N 1 0 301.346 1.969 20 5 DDBDRO CC(C)CNC(=O)C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC001343912723 872803226 /nfs/dbraw/zinc/80/32/26/872803226.db2.gz GWLQHGCONQYNOO-CHWSQXEVSA-N 1 0 323.397 1.637 20 5 DDBDRO COC[C@@H]1C[NH2+]CCN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC001345647015 873464155 /nfs/dbraw/zinc/46/41/55/873464155.db2.gz ODQWRSATXVVFRJ-JTQLQIEISA-N 1 0 313.741 1.309 20 5 DDBDRO CCc1ccc(C(=O)N2CC[C@@](O)(C[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC001347428629 874136595 /nfs/dbraw/zinc/13/65/95/874136595.db2.gz JVWWXVPRYGTRKO-MRXNPFEDSA-N 1 0 321.377 1.296 20 5 DDBDRO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cc(F)ccc3[N+](=O)[O-])[C@H]2C1 ZINC001347539439 874178575 /nfs/dbraw/zinc/17/85/75/874178575.db2.gz KYJTWLVQHSFMKV-TVYUQYBPSA-N 1 0 307.325 1.804 20 5 DDBDRO CC[NH+](CC)CC[C@@H](C)Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC001348685866 874712904 /nfs/dbraw/zinc/71/29/04/874712904.db2.gz RMRMCGFOGKSWBJ-SNVBAGLBSA-N 1 0 309.370 1.621 20 5 DDBDRO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccc([N+](=O)[O-])cc3F)[C@@H]2C1 ZINC001350914984 875955414 /nfs/dbraw/zinc/95/54/14/875955414.db2.gz GAVKBMRVNSFFIJ-BHYNMZESSA-N 1 0 307.325 1.804 20 5 DDBDRO O=C(NC[C@H]1C[NH2+]CCC1(F)F)c1cc(F)cc([N+](=O)[O-])c1 ZINC001353175468 877161473 /nfs/dbraw/zinc/16/14/73/877161473.db2.gz QANNQJBNEYFDDZ-SECBINFHSA-N 1 0 317.267 1.709 20 5 DDBDRO C[C@H]1CN(Cn2cc([N+](=O)[O-])cn2)CCN1c1cc[nH+]cc1 ZINC001353196935 877178231 /nfs/dbraw/zinc/17/82/31/877178231.db2.gz URIJMTWRHNJGKJ-LBPRGKRZSA-N 1 0 302.338 1.355 20 5 DDBDRO O=C(C1=CCC[NH2+]CC1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001353324171 877256235 /nfs/dbraw/zinc/25/62/35/877256235.db2.gz ILFHAHAZCRLZTL-UHFFFAOYSA-N 1 0 301.346 1.789 20 5 DDBDRO O=[N+]([O-])C[C@@H](OC[C@H]1CCC[NH2+]C1)c1ccc2c(c1)OCO2 ZINC001217912232 877353205 /nfs/dbraw/zinc/35/32/05/877353205.db2.gz HSVIZFGJGJESEY-XHDPSFHLSA-N 1 0 308.334 1.749 20 5 DDBDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])C1 ZINC001357443811 879973405 /nfs/dbraw/zinc/97/34/05/879973405.db2.gz DBPQWUSNYDZWOA-PWSUYJOCSA-N 1 0 309.341 1.862 20 5 DDBDRO C[NH2+]C[C@@H](O)[C@H](C)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001357484438 879996750 /nfs/dbraw/zinc/99/67/50/879996750.db2.gz FQCZXEXAAUPHFW-XHDPSFHLSA-N 1 0 321.377 1.302 20 5 DDBDRO COc1cc(CC(C)=O)ccc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001228246217 883402973 /nfs/dbraw/zinc/40/29/73/883402973.db2.gz RDUYFRVOYKPSNK-CQSZACIVSA-N 1 0 324.397 1.189 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ncc(O)c2ccccc21 ZINC001229143176 883841935 /nfs/dbraw/zinc/84/19/35/883841935.db2.gz FJIPEFYVSGHKBK-LLVKDONJSA-O 1 0 305.354 1.303 20 5 DDBDRO COCCC[NH+]1CCC(Oc2cc[n+]([O-])cc2[N+](=O)[O-])CC1 ZINC001229455476 883992283 /nfs/dbraw/zinc/99/22/83/883992283.db2.gz IRXJLKJGAQDUCE-UHFFFAOYSA-N 1 0 311.338 1.108 20 5 DDBDRO COc1ccc2nc(OC(=O)C[C@@H](O)C[N+](C)(C)C)oc2c1 ZINC001230466138 884500049 /nfs/dbraw/zinc/50/00/49/884500049.db2.gz YPCBHOVAQVEDPE-SNVBAGLBSA-N 1 0 309.342 1.199 20 5 DDBDRO COc1cccc(Cl)c1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001233673466 887209085 /nfs/dbraw/zinc/20/90/85/887209085.db2.gz DOQXCJVNNFGEBC-SNVBAGLBSA-N 1 0 302.778 1.711 20 5 DDBDRO CC[N@@H+]1CC[C@H](Oc2nc(NC(C)=O)nc(C)c2[N+](=O)[O-])C1 ZINC001234907425 888242972 /nfs/dbraw/zinc/24/29/72/888242972.db2.gz AZSPVCCSEKPBKK-JTQLQIEISA-N 1 0 309.326 1.125 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3CCNC[C@H]3F)CC2)cc1 ZINC001246085802 892409436 /nfs/dbraw/zinc/40/94/36/892409436.db2.gz IZMYRNDSEVCMNT-HZPDHXFCSA-N 1 0 322.384 1.853 20 5 DDBDRO CC(=O)N1CCC[C@H]([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254572561 896507961 /nfs/dbraw/zinc/50/79/61/896507961.db2.gz PZWGTRJMAAKARD-GJZGRUSLSA-N 1 0 303.362 1.663 20 5 DDBDRO COC(=O)N1CCC([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254585105 896515826 /nfs/dbraw/zinc/51/58/26/896515826.db2.gz KAKAATWQABGQNU-AWEZNQCLSA-N 1 0 319.361 1.882 20 5 DDBDRO COC(=O)[C@@H]1CCC[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254599695 896523871 /nfs/dbraw/zinc/52/38/71/896523871.db2.gz PAFWHLFEUPVTHR-DOMZBBRYSA-N 1 0 304.346 1.947 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1N1CCCN(c2cc[nH+]cc2)CC1 ZINC001262372628 900138473 /nfs/dbraw/zinc/13/84/73/900138473.db2.gz WUIMNSGEBKMFSY-UHFFFAOYSA-N 1 0 302.338 1.440 20 5 DDBDRO C[C@H](C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)N1CCCCC1=O ZINC001262572755 900254938 /nfs/dbraw/zinc/25/49/38/900254938.db2.gz CPELQQODHMSLKU-IUODEOHRSA-N 1 0 321.377 1.619 20 5 DDBDRO O=C([C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC001263108545 900501787 /nfs/dbraw/zinc/50/17/87/900501787.db2.gz APWRISDKAWYQRN-LCGIIJARSA-N 1 0 315.373 1.909 20 5 DDBDRO O=C(NC[C@H]1C[C@H]([NH2+]C/C(Cl)=C/Cl)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001263862066 900778757 /nfs/dbraw/zinc/77/87/57/900778757.db2.gz YGWVYTIBSUUOHZ-ZDGBUNRQSA-N 1 0 322.192 1.455 20 5 DDBDRO Cc1ccc(C[NH+]2CCC3(CC2)NC(=O)NC3=O)cc1[N+](=O)[O-] ZINC000272866883 210259055 /nfs/dbraw/zinc/25/90/55/210259055.db2.gz VPYNIUKTFGFTDN-UHFFFAOYSA-N 1 0 318.333 1.077 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@]1(O)CCO[C@H]1C ZINC000278632769 214290143 /nfs/dbraw/zinc/29/01/43/214290143.db2.gz KVMFACUMQRARQZ-NHYWBVRUSA-N 1 0 310.350 1.623 20 5 DDBDRO CC(C)(C)[C@H](CO)[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000278671774 214315993 /nfs/dbraw/zinc/31/59/93/214315993.db2.gz IFXLOIBAVSLQMA-AWEZNQCLSA-N 1 0 321.377 1.481 20 5 DDBDRO Cc1cc(C(=O)NC[C@H]2CCC[N@@H+]2CCCO)cc([N+](=O)[O-])c1 ZINC000452346740 231354261 /nfs/dbraw/zinc/35/42/61/231354261.db2.gz HGJYUROXNWEBRQ-CQSZACIVSA-N 1 0 321.377 1.480 20 5 DDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@H]1CCC[N@H+]1CCCO ZINC000452366035 231362622 /nfs/dbraw/zinc/36/26/22/231362622.db2.gz OGUDFUXMQMJROY-OAHLLOKOSA-N 1 0 321.377 1.100 20 5 DDBDRO CC[NH+](CC)C[C@H]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090551212 185302250 /nfs/dbraw/zinc/30/22/50/185302250.db2.gz KJTIQMMTYUTPMH-CQSZACIVSA-N 1 0 322.409 1.420 20 5 DDBDRO C[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(O)c1 ZINC000181580299 199322471 /nfs/dbraw/zinc/32/24/71/199322471.db2.gz BIXWRIRFRARFLP-QMTHXVAHSA-N 1 0 306.322 1.209 20 5 DDBDRO [NH3+][C@H](CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)C1CC1 ZINC000261991900 282289989 /nfs/dbraw/zinc/28/99/89/282289989.db2.gz YIXHMFYKWQGHJZ-GFCCVEGCSA-N 1 0 304.350 1.636 20 5 DDBDRO CC[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C[C@H]1CCCO1 ZINC000181644499 199332035 /nfs/dbraw/zinc/33/20/35/199332035.db2.gz MKFVNZSTJWOKKL-UONOGXRCSA-N 1 0 324.377 1.835 20 5 DDBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000301962658 529930424 /nfs/dbraw/zinc/93/04/24/529930424.db2.gz ISAIONUFMVYBHA-LBPRGKRZSA-N 1 0 318.381 1.948 20 5 DDBDRO C[NH+](C)C1CCN(C(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000330557140 231912259 /nfs/dbraw/zinc/91/22/59/231912259.db2.gz HMPOUSCGPULMIO-UHFFFAOYSA-N 1 0 307.350 1.526 20 5 DDBDRO C[N@@H+]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC000331330766 530071900 /nfs/dbraw/zinc/07/19/00/530071900.db2.gz HKOSICTXLRDSCY-UHFFFAOYSA-N 1 0 320.393 1.949 20 5 DDBDRO CCC[NH+]1CCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CC1 ZINC000286865376 219201605 /nfs/dbraw/zinc/20/16/05/219201605.db2.gz HKSADGXVECBOHR-UHFFFAOYSA-N 1 0 317.349 1.776 20 5 DDBDRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000564551135 304000455 /nfs/dbraw/zinc/00/04/55/304000455.db2.gz BJJSSHVMGFWPDR-NWDGAFQWSA-N 1 0 322.365 1.352 20 5 DDBDRO CC1(C)C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000279920722 215238404 /nfs/dbraw/zinc/23/84/04/215238404.db2.gz WFHAJKWTPJWENC-CYBMUJFWSA-N 1 0 307.350 1.626 20 5 DDBDRO Cc1n[nH]c(C(=O)N2CCC([NH+]3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000264255899 186329246 /nfs/dbraw/zinc/32/92/46/186329246.db2.gz OHUIZPSXSIRCLM-UHFFFAOYSA-N 1 0 321.381 1.717 20 5 DDBDRO CCc1n[nH]c(C(=O)NCC[N@H+]2CCCC[C@H]2CC)c1[N+](=O)[O-] ZINC000172163788 198049611 /nfs/dbraw/zinc/04/96/11/198049611.db2.gz VXRMJCCSSMJFBA-LLVKDONJSA-N 1 0 323.397 1.875 20 5 DDBDRO CC1(C)CC[C@H](C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)O1 ZINC000564874360 304022359 /nfs/dbraw/zinc/02/23/59/304022359.db2.gz YTIYCHPTVUZRES-UKRRQHHQSA-N 1 0 324.377 1.882 20 5 DDBDRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000047143872 352482760 /nfs/dbraw/zinc/48/27/60/352482760.db2.gz ZWMQUKYXECALPP-CYBMUJFWSA-N 1 0 321.377 1.964 20 5 DDBDRO C[C@H](CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000057838179 352830378 /nfs/dbraw/zinc/83/03/78/352830378.db2.gz DHDGAWWIPWRNNM-LLVKDONJSA-N 1 0 323.353 1.551 20 5 DDBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000060792462 352879915 /nfs/dbraw/zinc/87/99/15/352879915.db2.gz WMUQOSNHKKFNMV-ZDUSSCGKSA-N 1 0 307.350 1.574 20 5 DDBDRO NC(=O)C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000065534654 352954118 /nfs/dbraw/zinc/95/41/18/352954118.db2.gz JYGPGONEWTYMRG-UHFFFAOYSA-N 1 0 307.350 1.704 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCCC[C@@H]1C[NH+](C)C ZINC000068468549 353114085 /nfs/dbraw/zinc/11/40/85/353114085.db2.gz ZLQSXHUMSYQMMV-GFCCVEGCSA-N 1 0 309.370 1.042 20 5 DDBDRO Cc1sc(S(=O)(=O)N[C@@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000344906563 282867504 /nfs/dbraw/zinc/86/75/04/282867504.db2.gz KZXGYNKDBJMIKD-ZETCQYMHSA-N 1 0 307.397 1.193 20 5 DDBDRO O=[N+]([O-])c1ccc(OCCC[NH2+]C2(CO)CCOCC2)cc1 ZINC000069247261 353152083 /nfs/dbraw/zinc/15/20/83/353152083.db2.gz GHFKOHQHEDRDKC-UHFFFAOYSA-N 1 0 310.350 1.495 20 5 DDBDRO O=C(NCC[NH+]1CCCC1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000072937398 353226700 /nfs/dbraw/zinc/22/67/00/353226700.db2.gz BZJWXMZKNDPUQG-UHFFFAOYSA-N 1 0 321.333 1.192 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCC3(CCCC3)CC2)c1 ZINC000075765100 353379148 /nfs/dbraw/zinc/37/91/48/353379148.db2.gz JCGCXKCYJYORKT-AWEZNQCLSA-N 1 0 308.382 1.808 20 5 DDBDRO C[C@@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000093342409 353896519 /nfs/dbraw/zinc/89/65/19/353896519.db2.gz VJXIKCWAOIZXTL-RISCZKNCSA-N 1 0 307.350 1.626 20 5 DDBDRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000236779266 202004124 /nfs/dbraw/zinc/00/41/24/202004124.db2.gz FSEFYYMFRVFYBL-LBPRGKRZSA-N 1 0 319.365 1.917 20 5 DDBDRO COc1cc(OCC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000161938059 354244250 /nfs/dbraw/zinc/24/42/50/354244250.db2.gz DLZYRWHKOYFDDO-WDEREUQCSA-N 1 0 323.349 1.368 20 5 DDBDRO [NH3+][C@H](CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)C1CC1 ZINC000261969687 354391094 /nfs/dbraw/zinc/39/10/94/354391094.db2.gz UCAYRCCBHMYXKY-CYBMUJFWSA-N 1 0 315.333 1.248 20 5 DDBDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000357244416 291030119 /nfs/dbraw/zinc/03/01/19/291030119.db2.gz ZZUAFFIVDWGYHY-PHIMTYICSA-N 1 0 321.381 1.764 20 5 DDBDRO CCC1CCC(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000315132954 354491402 /nfs/dbraw/zinc/49/14/02/354491402.db2.gz VAKGJYBCTQWOFT-PIMMBPRGSA-N 1 0 310.398 1.958 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000320005022 354524481 /nfs/dbraw/zinc/52/44/81/354524481.db2.gz ICOCKBFWNPAOSG-UWVGGRQHSA-N 1 0 301.368 1.307 20 5 DDBDRO CCC[NH2+]CCNS(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC000584733138 354756404 /nfs/dbraw/zinc/75/64/04/354756404.db2.gz YKDXPGFBFWXMCR-UHFFFAOYSA-N 1 0 315.395 1.490 20 5 DDBDRO CC[C@@H]1C[C@@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000584835278 354778857 /nfs/dbraw/zinc/77/88/57/354778857.db2.gz VFZRZRWYYIIFOF-MELADBBJSA-N 1 0 324.377 1.882 20 5 DDBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601310472 358490346 /nfs/dbraw/zinc/49/03/46/358490346.db2.gz PMJFASSNPBLPCY-CABZTGNLSA-N 1 0 307.325 1.946 20 5 DDBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N[C@@H](CO)C[NH+]1CCCC1 ZINC000588870008 354945400 /nfs/dbraw/zinc/94/54/00/354945400.db2.gz SDJDNTOTMORMLB-CQSZACIVSA-N 1 0 321.377 1.100 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(CN(C)CC[N@H+](C)C2CC2)c1 ZINC000589516369 354998695 /nfs/dbraw/zinc/99/86/95/354998695.db2.gz QMHKXWVKLQSLEI-UHFFFAOYSA-N 1 0 321.377 1.907 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC000590011325 355040310 /nfs/dbraw/zinc/04/03/10/355040310.db2.gz HYVXHWXAYNKYOL-WFASDCNBSA-N 1 0 318.377 1.478 20 5 DDBDRO COC(=O)c1ccnc(NCC[N@@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000590573514 355117718 /nfs/dbraw/zinc/11/77/18/355117718.db2.gz ZOGOEAPMODYPDR-NSHDSACASA-N 1 0 322.365 1.920 20 5 DDBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000590590143 355122409 /nfs/dbraw/zinc/12/24/09/355122409.db2.gz TWGDHKQQFIQTSS-MFKMUULPSA-N 1 0 313.379 1.308 20 5 DDBDRO O=C1NC2(CO1)CC[NH+](CCOc1ccccc1[N+](=O)[O-])CC2 ZINC000495028941 235116800 /nfs/dbraw/zinc/11/68/00/235116800.db2.gz GPKPFSJSZPPBFK-UHFFFAOYSA-N 1 0 321.333 1.548 20 5 DDBDRO COC(=O)CCNC(=O)CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000591024238 355235365 /nfs/dbraw/zinc/23/53/65/355235365.db2.gz AEHCGKRWQXTPPZ-NSHDSACASA-N 1 0 323.349 1.315 20 5 DDBDRO C[NH+]1CCC(N2CC[C@H](Nc3ncc([N+](=O)[O-])cc3F)C2)CC1 ZINC000591147598 355255130 /nfs/dbraw/zinc/25/51/30/355255130.db2.gz STIJRALQIWJLHN-NSHDSACASA-N 1 0 323.372 1.709 20 5 DDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000591444786 355313166 /nfs/dbraw/zinc/31/31/66/355313166.db2.gz WNNUSLWNTVDOJI-CHWSQXEVSA-N 1 0 307.398 1.946 20 5 DDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000591448165 355313926 /nfs/dbraw/zinc/31/39/26/355313926.db2.gz FUAMIHYZMWNZKP-TYNCELHUSA-N 1 0 318.377 1.606 20 5 DDBDRO CN(C(=O)CN1CC[C@@H]2CC[NH2+][C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000591449572 355314449 /nfs/dbraw/zinc/31/44/49/355314449.db2.gz WIPYJIDGGGRDRF-WFASDCNBSA-N 1 0 318.377 1.241 20 5 DDBDRO CC1(C)C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@@H](CO)O1 ZINC000591475981 355320361 /nfs/dbraw/zinc/32/03/61/355320361.db2.gz MUVPKOPVXLVLOA-HNNXBMFYSA-N 1 0 324.377 1.835 20 5 DDBDRO CO[C@H](C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000591722888 355370957 /nfs/dbraw/zinc/37/09/57/355370957.db2.gz AOJFGLCJMMEANI-LSDHHAIUSA-N 1 0 320.349 1.130 20 5 DDBDRO CCn1cc(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])cn1 ZINC000591766540 355380998 /nfs/dbraw/zinc/38/09/98/355380998.db2.gz FTBRXXOFBURZOO-ZDUSSCGKSA-N 1 0 320.349 1.341 20 5 DDBDRO Cc1nn(C)c(C(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)c1[N+](=O)[O-] ZINC000591651809 355353658 /nfs/dbraw/zinc/35/36/58/355353658.db2.gz WYJHAGUSYROBEY-JTQLQIEISA-N 1 0 321.381 1.241 20 5 DDBDRO [NH3+]C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000592294999 355554224 /nfs/dbraw/zinc/55/42/24/355554224.db2.gz PEZLUMRHWNOMSY-SNVBAGLBSA-N 1 0 300.318 1.564 20 5 DDBDRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000592306640 355556312 /nfs/dbraw/zinc/55/63/12/355556312.db2.gz DLCQCRFUARTWSV-RISCZKNCSA-N 1 0 321.377 1.447 20 5 DDBDRO CC1(C)[C@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000592432482 355581654 /nfs/dbraw/zinc/58/16/54/355581654.db2.gz KHHSWRWCGOXPAE-OLZOCXBDSA-N 1 0 307.350 1.672 20 5 DDBDRO C[C@H]([NH3+])[C@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CCO1 ZINC000592475722 355593461 /nfs/dbraw/zinc/59/34/61/355593461.db2.gz UUGGSJWZELKKQA-TVQRCGJNSA-N 1 0 306.322 1.284 20 5 DDBDRO Cc1cc(S(=O)(=O)NC[C@H]2CCCC[NH2+]2)ccc1[N+](=O)[O-] ZINC000592366838 355568641 /nfs/dbraw/zinc/56/86/41/355568641.db2.gz FBEYGJMCYBUDGC-LLVKDONJSA-N 1 0 313.379 1.324 20 5 DDBDRO CC[C@@H]1CN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC[C@@H]1[NH3+] ZINC000592545819 355623207 /nfs/dbraw/zinc/62/32/07/355623207.db2.gz XUVXVRKKZKUZEJ-PWSUYJOCSA-N 1 0 309.370 1.112 20 5 DDBDRO O=C(Cn1ccc([N+](=O)[O-])n1)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592554750 355627314 /nfs/dbraw/zinc/62/73/14/355627314.db2.gz ONZWWINAKOUYRW-OLZOCXBDSA-N 1 0 321.381 1.030 20 5 DDBDRO CC[N@H+](C)C[C@@H](O)CN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000565159467 304047883 /nfs/dbraw/zinc/04/78/83/304047883.db2.gz YVFNQMVCYPTKCR-MRXNPFEDSA-N 1 0 307.394 1.872 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@@H](C)[C@H]2CO)c1 ZINC000593024742 355772519 /nfs/dbraw/zinc/77/25/19/355772519.db2.gz LOCXTLDBABTFBF-QMTHXVAHSA-N 1 0 308.334 1.584 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H]2CCOC[C@@H]2C)c1 ZINC000593027063 355773458 /nfs/dbraw/zinc/77/34/58/355773458.db2.gz JTVRXGGLSDGBCD-GXFFZTMASA-N 1 0 308.334 1.896 20 5 DDBDRO O=C(CC[N@@H+]1C[C@@H]2C[C@H]1C[S@]2=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000593100114 355796406 /nfs/dbraw/zinc/79/64/06/355796406.db2.gz CYJCOOKSANJNCT-UTWWPYJBSA-N 1 0 323.374 1.129 20 5 DDBDRO Cc1c(NC(=O)CC[N@@H+](C)[C@H](C)CCO)cccc1[N+](=O)[O-] ZINC000593108009 355800043 /nfs/dbraw/zinc/80/00/43/355800043.db2.gz STKPXDNRAJWSEI-LLVKDONJSA-N 1 0 309.366 1.935 20 5 DDBDRO CCO[C@@H]1CN(C(=O)c2cccc(OC)c2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000593916367 356058588 /nfs/dbraw/zinc/05/85/88/356058588.db2.gz IIHFGFXDUIUXDO-ZWNOBZJWSA-N 1 0 323.349 1.039 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(CC[NH3+])CC1 ZINC000593916974 356058650 /nfs/dbraw/zinc/05/86/50/356058650.db2.gz UCFSEOUERKCEMS-UHFFFAOYSA-N 1 0 307.350 1.804 20 5 DDBDRO Cc1nn(C)c(C(=O)N2CCC[C@H](C)[C@@H]2CC[NH3+])c1[N+](=O)[O-] ZINC000593917347 356059678 /nfs/dbraw/zinc/05/96/78/356059678.db2.gz UQWYRJIHAHGWFY-ONGXEEELSA-N 1 0 309.370 1.226 20 5 DDBDRO C[C@H](CNC(=O)c1ccccc1[N+](=O)[O-])N1C[C@@H](C)O[C@@H](C)C1 ZINC000594108401 356114769 /nfs/dbraw/zinc/11/47/69/356114769.db2.gz UKXYKRSKFHKZCO-UPJWGTAASA-N 1 0 321.377 1.822 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@@H](OC3CCC3)C2)c1 ZINC000594027790 356093818 /nfs/dbraw/zinc/09/38/18/356093818.db2.gz ZVFYKPXMTXZKLD-DZGCQCFKSA-N 1 0 324.381 1.186 20 5 DDBDRO Cc1c(NC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000594057375 356102551 /nfs/dbraw/zinc/10/25/51/356102551.db2.gz ZQZJXEAQYOXZMR-NWDGAFQWSA-N 1 0 320.349 1.186 20 5 DDBDRO CCc1n[nH]c(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000594418563 356203964 /nfs/dbraw/zinc/20/39/64/356203964.db2.gz KDZXQNSEIRHDJO-NWDGAFQWSA-N 1 0 321.381 1.627 20 5 DDBDRO O=C(NCCNc1ccccc1[N+](=O)[O-])[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000594426882 356207811 /nfs/dbraw/zinc/20/78/11/356207811.db2.gz STNOMQYJZKIDGO-MLGOLLRUSA-N 1 0 318.377 1.513 20 5 DDBDRO O=[N+]([O-])c1cccc(N2CC[NH+](C[C@]3(O)CCCOC3)CC2)c1 ZINC000594716583 356294436 /nfs/dbraw/zinc/29/44/36/356294436.db2.gz BGSZSBKBOUOKCS-MRXNPFEDSA-N 1 0 321.377 1.258 20 5 DDBDRO COC1CC(CC[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000594717928 356295049 /nfs/dbraw/zinc/29/50/49/356295049.db2.gz IFRZWTICQMHMCP-CXOJTPOUSA-N 1 0 324.377 1.739 20 5 DDBDRO Cc1ccc(C[NH2+][C@H]2CC[C@H](C)S(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000594973478 356366779 /nfs/dbraw/zinc/36/67/79/356366779.db2.gz CTJWHLMQYBFMJW-AAEUAGOBSA-N 1 0 312.391 1.959 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCCn1cncn1 ZINC000595022015 356373570 /nfs/dbraw/zinc/37/35/70/356373570.db2.gz GHQWLWWECYKCCI-NSHDSACASA-N 1 0 305.338 1.936 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](C)[C@@H]1CN(C)CCO1 ZINC000595022523 356373759 /nfs/dbraw/zinc/37/37/59/356373759.db2.gz MINHXMKUNGBZOP-MKBNYLNASA-N 1 0 323.393 1.973 20 5 DDBDRO CCn1cc(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)nn1 ZINC000595066592 356378407 /nfs/dbraw/zinc/37/84/07/356378407.db2.gz AYGIISWFURAKIJ-STQMWFEESA-N 1 0 319.369 1.676 20 5 DDBDRO Cc1cc(S(=O)(=O)NCC[NH2+]C2CC2)c(C)cc1[N+](=O)[O-] ZINC000595101843 356382805 /nfs/dbraw/zinc/38/28/05/356382805.db2.gz HBBQEFKGOFBWCV-UHFFFAOYSA-N 1 0 313.379 1.242 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC[C@@H]([NH3+])C(C)C ZINC000595119977 356385897 /nfs/dbraw/zinc/38/58/97/356385897.db2.gz DKUABVDJAYPPRS-GFCCVEGCSA-N 1 0 315.395 1.555 20 5 DDBDRO Cc1c(NC(=O)C(=O)NCC[C@@H](C)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000595126570 356387693 /nfs/dbraw/zinc/38/76/93/356387693.db2.gz QHEJQAOKRLRINO-SNVBAGLBSA-N 1 0 322.365 1.298 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H]1CCC(=O)N(C)C1 ZINC000595006490 356371373 /nfs/dbraw/zinc/37/13/73/356371373.db2.gz ASWZQFOAJUTKNV-MNOVXSKESA-N 1 0 307.350 1.875 20 5 DDBDRO Cc1noc(CN2CCC[C@@H](C[NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000595474381 356507665 /nfs/dbraw/zinc/50/76/65/356507665.db2.gz DYWRQPBMIYIFKW-ZDUSSCGKSA-N 1 0 324.381 1.435 20 5 DDBDRO C[N@@H+]1CC[C@]2(C1)CCCN(CCn1cc([N+](=O)[O-])ccc1=O)C2 ZINC000595505799 356522754 /nfs/dbraw/zinc/52/27/54/356522754.db2.gz YNVNPIZHEWIAQG-INIZCTEOSA-N 1 0 320.393 1.174 20 5 DDBDRO CC[NH2+]CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1CC ZINC000237019730 202123046 /nfs/dbraw/zinc/12/30/46/202123046.db2.gz GHGREGNHTBKYNB-UHFFFAOYSA-N 1 0 301.368 1.045 20 5 DDBDRO O=[N+]([O-])c1ccccc1CN1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000595862323 356681875 /nfs/dbraw/zinc/68/18/75/356681875.db2.gz ABRWVQKIENSLEF-HNNXBMFYSA-N 1 0 305.378 1.626 20 5 DDBDRO CCOc1cc(C[N@@H+]2CCC[C@H](C(=O)NC)C2)ccc1[N+](=O)[O-] ZINC000276929791 213183033 /nfs/dbraw/zinc/18/30/33/213183033.db2.gz QRGANFWWAHQVPT-ZDUSSCGKSA-N 1 0 321.377 1.952 20 5 DDBDRO Cc1ccc(NC(=O)c2cn[nH]c2[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000595923684 356706036 /nfs/dbraw/zinc/70/60/36/356706036.db2.gz AWZRCFXZVCOOTK-SNVBAGLBSA-N 1 0 315.333 1.956 20 5 DDBDRO C[NH2+]C[C@@H](C)NC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000595981256 356734596 /nfs/dbraw/zinc/73/45/96/356734596.db2.gz CDUDNXLVHZNASP-MRVPVSSYSA-N 1 0 313.379 1.663 20 5 DDBDRO CC(C)C[NH2+]C1(CO)CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000596252531 356832948 /nfs/dbraw/zinc/83/29/48/356832948.db2.gz GYPNLOHJCLSCLA-UHFFFAOYSA-N 1 0 308.382 1.567 20 5 DDBDRO CN(CCC[NH+](C)C)CCNc1ccc([N+](=O)[O-])c(N)c1F ZINC000596424219 356874197 /nfs/dbraw/zinc/87/41/97/356874197.db2.gz DQJFEMXPXDAJFG-UHFFFAOYSA-N 1 0 313.377 1.612 20 5 DDBDRO Cc1cc(N2CCC(CO)([NH2+]CC3CC3)CC2)ncc1[N+](=O)[O-] ZINC000596267196 356838716 /nfs/dbraw/zinc/83/87/16/356838716.db2.gz ZBJFONWEOHRSKP-UHFFFAOYSA-N 1 0 320.393 1.629 20 5 DDBDRO C[NH2+]C[C@H]1CCCN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000237220337 202194118 /nfs/dbraw/zinc/19/41/18/202194118.db2.gz NRKHARVIXDPHGI-GFCCVEGCSA-N 1 0 306.366 1.607 20 5 DDBDRO COc1cc(C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000237267216 202211220 /nfs/dbraw/zinc/21/12/20/202211220.db2.gz JFLDRBOBYYJEPY-VXGBXAGGSA-N 1 0 307.350 1.851 20 5 DDBDRO COC(=O)[C@H]1C[C@H]([NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000597243453 357108054 /nfs/dbraw/zinc/10/80/54/357108054.db2.gz JYEMSVUDHKXATA-HOMQSWHASA-N 1 0 322.317 1.407 20 5 DDBDRO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3cnc4n3CCC4)CC2)n1 ZINC000597116111 357064898 /nfs/dbraw/zinc/06/48/98/357064898.db2.gz DYNUHAYZQUGENR-UHFFFAOYSA-N 1 0 316.365 1.771 20 5 DDBDRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000597925760 357384388 /nfs/dbraw/zinc/38/43/88/357384388.db2.gz QYUIJRXBWYBCQS-LBPRGKRZSA-N 1 0 320.393 1.996 20 5 DDBDRO COC(=O)c1cc(C(=O)N(C)CC2C[NH+](C)C2)cc([N+](=O)[O-])c1 ZINC000598162019 357478473 /nfs/dbraw/zinc/47/84/73/357478473.db2.gz GLBVFDKWXWJKKX-UHFFFAOYSA-N 1 0 321.333 1.015 20 5 DDBDRO CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2OC)C[C@H](C)[NH2+]1 ZINC000598531598 357622931 /nfs/dbraw/zinc/62/29/31/357622931.db2.gz MBMVSWYKEYLBBY-WDEREUQCSA-N 1 0 307.350 1.816 20 5 DDBDRO COC(=O)c1ccnc(N[C@@H]2CC[N@H+](CC3CC3)C2)c1[N+](=O)[O-] ZINC000598595180 357646355 /nfs/dbraw/zinc/64/63/55/357646355.db2.gz GUVMBIIUJKWFGM-LLVKDONJSA-N 1 0 320.349 1.673 20 5 DDBDRO COC(=O)c1ccnc(N2CCC[C@H]([NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000598620211 357656436 /nfs/dbraw/zinc/65/64/36/357656436.db2.gz JPWPNWDIGSGODR-NSHDSACASA-N 1 0 322.365 1.697 20 5 DDBDRO C[C@@H]([NH3+])C1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000178819774 198936771 /nfs/dbraw/zinc/93/67/71/198936771.db2.gz FAZQKYSHUCVHOI-LLVKDONJSA-N 1 0 307.350 1.559 20 5 DDBDRO C[C@H]([NH3+])C1CCN(C(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000178828314 198937464 /nfs/dbraw/zinc/93/74/64/198937464.db2.gz XRHBKHHTOZEGAZ-NSHDSACASA-N 1 0 307.350 1.559 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)c1 ZINC000598670168 357679136 /nfs/dbraw/zinc/67/91/36/357679136.db2.gz RIUXWQLWZPXMBI-BMIGLBTASA-N 1 0 305.334 1.557 20 5 DDBDRO COc1cc(CN2CCc3ncc([N+](=O)[O-])cc3C2)ccn1 ZINC000347789945 283277929 /nfs/dbraw/zinc/27/79/29/283277929.db2.gz FDARIJRJKQZZOY-UHFFFAOYSA-N 1 0 300.318 1.952 20 5 DDBDRO C[C@H](NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)[C@H]1CCC[NH2+]C1 ZINC000598916401 357757542 /nfs/dbraw/zinc/75/75/42/357757542.db2.gz YBGMXLWKRWCNLC-QWRGUYRKSA-N 1 0 320.349 1.038 20 5 DDBDRO O=[N+]([O-])c1c2ccncc2ccc1N1CC[C@H](CO)[C@H](O)C1 ZINC000599078636 357808902 /nfs/dbraw/zinc/80/89/02/357808902.db2.gz JCQDEAYYHPCCJC-BXUZGUMPSA-N 1 0 303.318 1.323 20 5 DDBDRO CC1(C)C[C@@H]([NH2+]CCN2CC[C@H](O)C2)c2cc([N+](=O)[O-])ccc21 ZINC000599094848 357814298 /nfs/dbraw/zinc/81/42/98/357814298.db2.gz ZJDMZVLBZNWJNP-XJKSGUPXSA-N 1 0 319.405 1.973 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H]2CCCC[N@H+](C)C2)n1 ZINC000599137645 357826622 /nfs/dbraw/zinc/82/66/22/357826622.db2.gz ARVKLQWEIGQFLR-LLVKDONJSA-N 1 0 322.365 1.920 20 5 DDBDRO COC(=O)C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000347956718 283305835 /nfs/dbraw/zinc/30/58/35/283305835.db2.gz JKHJIFNASSMNQT-CQSZACIVSA-N 1 0 324.381 1.893 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N(C)CCOCC[NH3+] ZINC000599601121 357988201 /nfs/dbraw/zinc/98/82/01/357988201.db2.gz HCFFYOUHSOTXEF-UHFFFAOYSA-N 1 0 310.354 1.651 20 5 DDBDRO C[N@H+](C[C@H]1C[C@@H](O)C1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000599654772 358009302 /nfs/dbraw/zinc/00/93/02/358009302.db2.gz IJQHMVZECFKJPO-BYCMXARLSA-N 1 0 319.361 1.403 20 5 DDBDRO C[C@@H]1CC[C@H](NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])C[NH2+]1 ZINC000599936868 358085137 /nfs/dbraw/zinc/08/51/37/358085137.db2.gz CKSBIZBSFIMKJF-YPMHNXCESA-N 1 0 306.366 1.877 20 5 DDBDRO Cc1cc(NC(=O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)n(C)n1 ZINC000180452946 199161625 /nfs/dbraw/zinc/16/16/25/199161625.db2.gz BBMKLPHOBRWVTK-NSHDSACASA-N 1 0 317.349 1.926 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000600472136 358233582 /nfs/dbraw/zinc/23/35/82/358233582.db2.gz MXUHJTDEHMEEEZ-ZDUSSCGKSA-N 1 0 321.381 1.233 20 5 DDBDRO C[NH2+]CC1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000237347792 202239831 /nfs/dbraw/zinc/23/98/31/202239831.db2.gz RRIAXBLRVIWQNB-UHFFFAOYSA-N 1 0 310.329 1.388 20 5 DDBDRO [NH3+]C[C@@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)[C@@H]1C(F)(F)F ZINC000600737662 358302495 /nfs/dbraw/zinc/30/24/95/358302495.db2.gz HSMGFJUCYNWYAL-ONGXEEELSA-N 1 0 321.303 1.393 20 5 DDBDRO C[N@H+](CCNC(=O)c1c(N)cccc1[N+](=O)[O-])C1CCCC1 ZINC000180756751 199205629 /nfs/dbraw/zinc/20/56/29/199205629.db2.gz YRIOIEZEGNSDJR-UHFFFAOYSA-N 1 0 306.366 1.781 20 5 DDBDRO CC[C@@H]1[C@@H](C(=O)NCc2cc([N+](=O)[O-])ccc2OC)CC[N@@H+]1C ZINC000601006017 358379560 /nfs/dbraw/zinc/37/95/60/358379560.db2.gz QXAWGGAWOBISPH-UONOGXRCSA-N 1 0 321.377 1.950 20 5 DDBDRO CC[N@@H+]1C[C@@H](C)N(c2ccc3ncc([N+](=O)[O-])n3n2)C[C@@H]1C ZINC000348109424 283372868 /nfs/dbraw/zinc/37/28/68/283372868.db2.gz VLXMWIGSXGNZTM-WDEREUQCSA-N 1 0 304.354 1.556 20 5 DDBDRO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1C[C@H]2CC[N@H+](C)[C@H]2C1 ZINC000601172048 358432415 /nfs/dbraw/zinc/43/24/15/358432415.db2.gz VCJUUUOJLWONSJ-SFYZADRCSA-N 1 0 319.287 1.487 20 5 DDBDRO COc1cc(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)c([N+](=O)[O-])cc1OC ZINC000601972937 358760252 /nfs/dbraw/zinc/76/02/52/358760252.db2.gz ARVGDUGOLBDSDY-TXEJJXNPSA-N 1 0 308.334 1.690 20 5 DDBDRO Cc1cc(N[C@@H]2[C@H]3C[NH2+]C[C@H]32)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000601980098 358765095 /nfs/dbraw/zinc/76/50/95/358765095.db2.gz DVQWSBGXAFRVSM-NHAGDIPZSA-N 1 0 311.345 1.412 20 5 DDBDRO CC[NH+](CC)CCOCCNC(=O)c1csc([N+](=O)[O-])c1 ZINC000348164732 283397753 /nfs/dbraw/zinc/39/77/53/283397753.db2.gz URQQNEVXVOYZFS-UHFFFAOYSA-N 1 0 315.395 1.745 20 5 DDBDRO CNc1ccc(C(=O)N2CC[NH2+]C[C@@H]2C(C)C)cc1[N+](=O)[O-] ZINC000602527825 359027035 /nfs/dbraw/zinc/02/70/35/359027035.db2.gz MCXDNOLFDPWFIG-CQSZACIVSA-N 1 0 306.366 1.707 20 5 DDBDRO COc1cc(C(=O)N2CC[NH2+]C[C@@H]2C(C)C)ccc1[N+](=O)[O-] ZINC000602530012 359029009 /nfs/dbraw/zinc/02/90/09/359029009.db2.gz RCQDJHJKGGCKCF-CYBMUJFWSA-N 1 0 307.350 1.673 20 5 DDBDRO C[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[C@H]1CCOC1 ZINC000602559650 359045259 /nfs/dbraw/zinc/04/52/59/359045259.db2.gz VVBAVYTVYIVADB-STQMWFEESA-N 1 0 320.393 1.973 20 5 DDBDRO Cc1ccc([C@@H](C)NC(=O)[C@@]2(C)C[NH2+]CCO2)cc1[N+](=O)[O-] ZINC000602469015 358999326 /nfs/dbraw/zinc/99/93/26/358999326.db2.gz YRHAUEWDNIKJAO-IAQYHMDHSA-N 1 0 307.350 1.459 20 5 DDBDRO Cn1cc(C[N@@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)c([N+](=O)[O-])n1 ZINC000602669473 359115425 /nfs/dbraw/zinc/11/54/25/359115425.db2.gz XOAODBILAHYYAQ-QWHCGFSZSA-N 1 0 308.382 1.967 20 5 DDBDRO COc1ccc(CC(=O)N2CCCCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000602579486 359053246 /nfs/dbraw/zinc/05/32/46/359053246.db2.gz UNNDFKDPXRXXON-ZDUSSCGKSA-N 1 0 321.377 1.876 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(O[C@H]2CCOC2)CC1 ZINC000602779861 359184911 /nfs/dbraw/zinc/18/49/11/359184911.db2.gz SXTDUOUOMTYRDE-AWEZNQCLSA-N 1 0 324.381 1.370 20 5 DDBDRO O=[N+]([O-])c1ccccc1C[NH+]1CCC(CCO)(CCO)CC1 ZINC000602731984 359154523 /nfs/dbraw/zinc/15/45/23/359154523.db2.gz MKQBSZUBYITZDI-UHFFFAOYSA-N 1 0 308.378 1.942 20 5 DDBDRO C[C@@H]1CC(C)(C)C[C@](CO)([NH2+]Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602793213 359195203 /nfs/dbraw/zinc/19/52/03/359195203.db2.gz HXJNLILJEOHGSZ-IAQYHMDHSA-N 1 0 310.398 1.995 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000602822491 359217093 /nfs/dbraw/zinc/21/70/93/359217093.db2.gz QWLKPUJFICRQHA-CQSZACIVSA-N 1 0 317.349 1.648 20 5 DDBDRO Cc1cncc([N+](=O)[O-])c1NC(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000602951373 359317601 /nfs/dbraw/zinc/31/76/01/359317601.db2.gz JAIATILNGJUXIF-WCQYABFASA-N 1 0 319.365 1.278 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H](C)[C@H]1CN(C)CCO1 ZINC000618467676 363642729 /nfs/dbraw/zinc/64/27/29/363642729.db2.gz PFKXCJSWCJEBBJ-DGCLKSJQSA-N 1 0 307.350 1.352 20 5 DDBDRO CC[N@@H+]1C[C@H](C)N(C(=O)Nc2c(C)cncc2[N+](=O)[O-])C[C@@H]1C ZINC000602952566 359318713 /nfs/dbraw/zinc/31/87/13/359318713.db2.gz NPJYSFWTXFODPX-RYUDHWBXSA-N 1 0 321.381 1.667 20 5 DDBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1C[C@@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000602938988 359308029 /nfs/dbraw/zinc/30/80/29/359308029.db2.gz ZSBZFHCTLPYWRT-VFVAKGGASA-N 1 0 317.345 1.640 20 5 DDBDRO Cc1cncc([N+](=O)[O-])c1NC(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000602951168 359316484 /nfs/dbraw/zinc/31/64/84/359316484.db2.gz HDVAGLZEFFFSKZ-LBPRGKRZSA-N 1 0 321.381 1.668 20 5 DDBDRO CO[C@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])[C@](C)(CO)C1 ZINC000602963635 359326149 /nfs/dbraw/zinc/32/61/49/359326149.db2.gz HPSSJNDNLGQSAH-DOMZBBRYSA-N 1 0 310.350 1.445 20 5 DDBDRO [NH3+]CCSCc1cn(CCc2ccc([N+](=O)[O-])cc2)nn1 ZINC000603193754 359470868 /nfs/dbraw/zinc/47/08/68/359470868.db2.gz CVNCLAJXECSCTH-UHFFFAOYSA-N 1 0 307.379 1.621 20 5 DDBDRO COc1cc(Cn2cc([C@@H]3CCC[NH2+]C3)nn2)ccc1[N+](=O)[O-] ZINC000603245157 359512138 /nfs/dbraw/zinc/51/21/38/359512138.db2.gz ZPMFHFRBJKCBML-GFCCVEGCSA-N 1 0 317.349 1.710 20 5 DDBDRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000186749051 200003189 /nfs/dbraw/zinc/00/31/89/200003189.db2.gz KVVMOXODLDLMQS-UFBFGSQYSA-N 1 0 308.294 1.231 20 5 DDBDRO Cn1cc(CN2c3ccccc3CC[C@@H]2C[NH3+])c([N+](=O)[O-])n1 ZINC000603428591 359633827 /nfs/dbraw/zinc/63/38/27/359633827.db2.gz KBTQERQDUKEQJF-CYBMUJFWSA-N 1 0 301.350 1.608 20 5 DDBDRO CC(C)C[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])cn2C)CC1 ZINC000603561795 359659395 /nfs/dbraw/zinc/65/93/95/359659395.db2.gz CFWWCPDHHZTSMH-UHFFFAOYSA-N 1 0 308.382 1.784 20 5 DDBDRO O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000187117512 200063757 /nfs/dbraw/zinc/06/37/57/200063757.db2.gz KVCKFNSTSQTJQW-LLVKDONJSA-N 1 0 320.349 1.253 20 5 DDBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)CC1(O)CCCCCC1 ZINC000187342037 200098267 /nfs/dbraw/zinc/09/82/67/200098267.db2.gz VUGZITRFHHXZFO-UHFFFAOYSA-N 1 0 323.393 1.774 20 5 DDBDRO C[NH+](C)CC1(NC(=O)CCNc2ccccc2[N+](=O)[O-])CCC1 ZINC000281068172 216058213 /nfs/dbraw/zinc/05/82/13/216058213.db2.gz MLBZOBJNRBLMHL-UHFFFAOYSA-N 1 0 320.393 1.997 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2CC[N@@H+](C(C)C)C2)n1 ZINC000281072520 216060663 /nfs/dbraw/zinc/06/06/63/216060663.db2.gz AQDHWBWORIBIPL-SNVBAGLBSA-N 1 0 308.338 1.671 20 5 DDBDRO COC(=O)c1cc(C(=O)N[C@@H]2CCC[N@H+](C)C2)cc([N+](=O)[O-])c1 ZINC000604198012 359725636 /nfs/dbraw/zinc/72/56/36/359725636.db2.gz DHWMFJWOTHPDPI-GFCCVEGCSA-N 1 0 321.333 1.205 20 5 DDBDRO Cn1cc(C(=O)NCC(C)(C)[NH3+])c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237757189 202347386 /nfs/dbraw/zinc/34/73/86/202347386.db2.gz CNNQXDSEQSFLJD-UHFFFAOYSA-N 1 0 317.349 1.462 20 5 DDBDRO Nc1ccc(C(=O)N2CCC(OCCC[NH3+])CC2)cc1[N+](=O)[O-] ZINC000237824758 202364308 /nfs/dbraw/zinc/36/43/08/202364308.db2.gz KMZFTVCOAJNWCG-UHFFFAOYSA-N 1 0 322.365 1.147 20 5 DDBDRO CCCN(CC[NH+](C)C)C(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000609045754 360258098 /nfs/dbraw/zinc/25/80/98/360258098.db2.gz CYGFXDBGEDOVQA-UHFFFAOYSA-N 1 0 323.393 1.946 20 5 DDBDRO Cc1ccc(NCCCNC(=O)[C@H]2CC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC000610069333 360377853 /nfs/dbraw/zinc/37/78/53/360377853.db2.gz LOVBDWGOQAHPGN-ZDUSSCGKSA-N 1 0 320.393 1.773 20 5 DDBDRO Cc1cc(N2CC[NH+](CC3CCOCC3)CC2)ncc1[N+](=O)[O-] ZINC000610431267 360434568 /nfs/dbraw/zinc/43/45/68/360434568.db2.gz UQTODIOTDHRKBY-UHFFFAOYSA-N 1 0 320.393 1.847 20 5 DDBDRO CC[N@@H+]1C[C@H](C)N(C(=O)Nc2ccncc2[N+](=O)[O-])C[C@@H]1C ZINC000359027172 299311144 /nfs/dbraw/zinc/31/11/44/299311144.db2.gz NAHPDXIYIUGYBF-QWRGUYRKSA-N 1 0 307.354 1.358 20 5 DDBDRO C[NH+](C)CCO[C@@H]1CCN(c2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000611132739 360631287 /nfs/dbraw/zinc/63/12/87/360631287.db2.gz FICOIPLVEYYOIC-LLVKDONJSA-N 1 0 314.773 1.800 20 5 DDBDRO C[N@@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C[C@H]1CCC[C@@H]1O ZINC000611285737 360690350 /nfs/dbraw/zinc/69/03/50/360690350.db2.gz KBFKHTJTMBTQGS-RISCZKNCSA-N 1 0 322.361 1.959 20 5 DDBDRO CC[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C[C@H]1CCOC1 ZINC000612059422 360904533 /nfs/dbraw/zinc/90/45/33/360904533.db2.gz RSACOTZNVOHBFT-ZIAGYGMSSA-N 1 0 324.377 1.693 20 5 DDBDRO CNC(=O)[C@@]1(C)CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000281357589 216247342 /nfs/dbraw/zinc/24/73/42/216247342.db2.gz ZYHYKALFETVRHJ-HNNXBMFYSA-N 1 0 318.333 1.694 20 5 DDBDRO Cc1nn(C)c(C(=O)NC2CC[NH+](C(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000194122839 201181218 /nfs/dbraw/zinc/18/12/18/201181218.db2.gz JCYUZCRFBWVYBN-UHFFFAOYSA-N 1 0 323.397 1.629 20 5 DDBDRO CCC[C@H]1C[NH2+]CCN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000359225175 299364847 /nfs/dbraw/zinc/36/48/47/299364847.db2.gz SXAVOWNSWKKEKL-ZDUSSCGKSA-N 1 0 307.350 1.574 20 5 DDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)CC[NH3+])cc1OC ZINC000349918444 284106106 /nfs/dbraw/zinc/10/61/06/284106106.db2.gz UQZLFCUMLNDGDY-SECBINFHSA-N 1 0 311.338 1.469 20 5 DDBDRO Cc1ccc([C@H](C)NC(=O)[C@@H]([NH3+])C2CCOCC2)cc1[N+](=O)[O-] ZINC000261884881 203144384 /nfs/dbraw/zinc/14/43/84/203144384.db2.gz UZGSTQGRRLGZJX-NHYWBVRUSA-N 1 0 321.377 1.834 20 5 DDBDRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000262603560 203348421 /nfs/dbraw/zinc/34/84/21/203348421.db2.gz YMXDMSPKPPKELQ-OLZOCXBDSA-N 1 0 320.393 1.983 20 5 DDBDRO C[C@H](O)C[NH+]1CCN(c2ccc([N+](=O)[O-])c3cccnc32)CC1 ZINC000274995244 212064847 /nfs/dbraw/zinc/06/48/47/212064847.db2.gz FNCVQJLXXYEIOE-LBPRGKRZSA-N 1 0 316.361 1.646 20 5 DDBDRO O=C(CCn1cc([N+](=O)[O-])cn1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000263764161 203551317 /nfs/dbraw/zinc/55/13/17/203551317.db2.gz DESNAYWIKORHQT-ZDUSSCGKSA-N 1 0 321.381 1.268 20 5 DDBDRO C[C@@H](CC[NH+](C)C)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000264933903 204282811 /nfs/dbraw/zinc/28/28/11/204282811.db2.gz SZXVACPRVGYRNE-VIFPVBQESA-N 1 0 310.310 1.573 20 5 DDBDRO [NH3+][C@@H]1CC[C@@H]2CN(Cc3nc4cc([N+](=O)[O-])ccc4o3)C[C@@H]12 ZINC000351494573 284343401 /nfs/dbraw/zinc/34/34/01/284343401.db2.gz OHHWOTVIOMDMFD-YUSALJHKSA-N 1 0 302.334 1.905 20 5 DDBDRO Cc1ccc([C@H](C)[NH2+]CCCOC(=O)NC(N)=O)cc1[N+](=O)[O-] ZINC000271686403 209125728 /nfs/dbraw/zinc/12/57/28/209125728.db2.gz DBNCAFZVHGANIX-JTQLQIEISA-N 1 0 324.337 1.749 20 5 DDBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2c([N+](=O)[O-])c(C)nn2C)C1 ZINC000332693283 248894032 /nfs/dbraw/zinc/89/40/32/248894032.db2.gz KTXXPPULRSOSED-NSHDSACASA-N 1 0 309.370 1.051 20 5 DDBDRO Nc1c(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)cc(F)cc1[N+](=O)[O-] ZINC000336862215 249269852 /nfs/dbraw/zinc/26/98/52/249269852.db2.gz HPFDGBWIUVHNRN-SECBINFHSA-N 1 0 308.313 1.283 20 5 DDBDRO C[C@@H]1C[N@@H+](CCCCNc2ncc([N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000273934810 211187949 /nfs/dbraw/zinc/18/79/49/211187949.db2.gz KZEMGUSHBRJFLQ-TXEJJXNPSA-N 1 0 309.370 1.686 20 5 DDBDRO CC1(C)NC(=O)CC[C@H]1[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000338595039 250047989 /nfs/dbraw/zinc/04/79/89/250047989.db2.gz COOFVXBHXBWIKD-GFCCVEGCSA-N 1 0 320.349 1.180 20 5 DDBDRO O=[N+]([O-])c1ccc(CC[N@H+]2CCOC[C@@H]2[C@H]2CCC[C@@H]2O)cc1 ZINC000285020509 218258692 /nfs/dbraw/zinc/25/86/92/218258692.db2.gz ZCFHCPNTCCCPCM-ZACQAIPSSA-N 1 0 320.389 1.999 20 5 DDBDRO C[C@@H]1C[C@H](NC(=O)NCCc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000341025446 251345115 /nfs/dbraw/zinc/34/51/15/251345115.db2.gz JCNSXHOKDYJJTC-TZMCWYRMSA-N 1 0 320.393 1.919 20 5 DDBDRO CN(C)CC[N@H+](C)CCCN(C)c1ncc([N+](=O)[O-])s1 ZINC000341054692 251357130 /nfs/dbraw/zinc/35/71/30/251357130.db2.gz SKFHUYXUYLWTOX-UHFFFAOYSA-N 1 0 301.416 1.371 20 5 DDBDRO CC(C)(C[NH3+])NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000063020546 184267313 /nfs/dbraw/zinc/26/73/13/184267313.db2.gz RRBSSOKVMMKRHI-UHFFFAOYSA-N 1 0 307.759 1.264 20 5 DDBDRO COc1ccc(CC(=O)N[C@@H]2[C@@H](C)CC[NH2+][C@H]2C)cc1[N+](=O)[O-] ZINC000567672211 304232684 /nfs/dbraw/zinc/23/26/84/304232684.db2.gz LUGPDVOOQSMHHY-XMZIXOGTSA-N 1 0 321.377 1.649 20 5 DDBDRO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CC[C@H]1[NH3+] ZINC000269189887 207309945 /nfs/dbraw/zinc/30/99/45/207309945.db2.gz GWLGQBVHGRQXSL-GXFFZTMASA-N 1 0 306.366 1.470 20 5 DDBDRO CN(C)C(C)(C)C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC001120480338 781973121 /nfs/dbraw/zinc/97/31/21/781973121.db2.gz QZVBEXZXKABSAU-ZDUSSCGKSA-N 1 0 311.382 1.264 20 5 DDBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C[C@@H]1C[NH2+]CCO1 ZINC000269249757 207384463 /nfs/dbraw/zinc/38/44/63/207384463.db2.gz LURYASKACDZUDH-OAHLLOKOSA-N 1 0 321.377 1.710 20 5 DDBDRO C[NH2+][C@@H]1CCN(C(=O)NCc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000417173101 532961432 /nfs/dbraw/zinc/96/14/32/532961432.db2.gz GTTSYFRNWWQPIQ-LLVKDONJSA-N 1 0 308.338 1.107 20 5 DDBDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000352412049 285033401 /nfs/dbraw/zinc/03/34/01/285033401.db2.gz BKPHKYYWYLVOMD-NOZJJQNGSA-N 1 0 313.304 1.877 20 5 DDBDRO COc1cc(C[N@@H+]2CCC[C@@H](CNC(C)=O)C2)ccc1[N+](=O)[O-] ZINC000352425674 285041738 /nfs/dbraw/zinc/04/17/38/285041738.db2.gz MORRKXVFAZCYDC-AWEZNQCLSA-N 1 0 321.377 1.952 20 5 DDBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1c1ncc([N+](=O)[O-])cc1C(N)=O ZINC000286486063 219014147 /nfs/dbraw/zinc/01/41/47/219014147.db2.gz XAPCLNQTMAYVIB-JQWIXIFHSA-N 1 0 319.365 1.152 20 5 DDBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+][C@@H]1COC[C@H]1O ZINC000295934506 285161488 /nfs/dbraw/zinc/16/14/88/285161488.db2.gz KZIZCKWLRDYPBH-ADSMDIBLSA-N 1 0 306.362 1.655 20 5 DDBDRO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000157647624 197204514 /nfs/dbraw/zinc/20/45/14/197204514.db2.gz YRNOMQDDUCANHX-KWQFWETISA-N 1 0 303.322 1.328 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCN1CCCOCC1 ZINC000289480473 221007585 /nfs/dbraw/zinc/00/75/85/221007585.db2.gz QLSZHMRCGISUSN-UHFFFAOYSA-N 1 0 323.393 1.805 20 5 DDBDRO C[C@H]1CSC[C@H]1[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000352813296 285317865 /nfs/dbraw/zinc/31/78/65/285317865.db2.gz AVQIKMUWDLTGJZ-GXFFZTMASA-N 1 0 309.391 1.899 20 5 DDBDRO COCCNC(=O)C1([NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000414182717 224309060 /nfs/dbraw/zinc/30/90/60/224309060.db2.gz MHFNBVGCLFDISK-GFCCVEGCSA-N 1 0 321.377 1.411 20 5 DDBDRO O=C(COc1cccc([N+](=O)[O-])c1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000290041466 221396869 /nfs/dbraw/zinc/39/68/69/221396869.db2.gz GOEPMRXGUQVZDG-NWDGAFQWSA-N 1 0 305.334 1.042 20 5 DDBDRO [NH3+]C[C@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)CC12CCOCC2 ZINC000414796995 224396533 /nfs/dbraw/zinc/39/65/33/224396533.db2.gz YMTPBLMFGVCPLT-AWEZNQCLSA-N 1 0 305.378 1.782 20 5 DDBDRO C[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@H](C)CO ZINC000295877191 533350625 /nfs/dbraw/zinc/35/06/25/533350625.db2.gz ZLTYKRRZFOLWKI-RKDXNWHRSA-N 1 0 315.757 1.793 20 5 DDBDRO CO[C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)[C@H](C[NH3+])C1 ZINC000415448119 533404446 /nfs/dbraw/zinc/40/44/46/533404446.db2.gz XLMRGZJIOPNYGB-QWHCGFSZSA-N 1 0 322.365 1.873 20 5 DDBDRO C[C@H]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)C[C@H]1C[NH3+] ZINC000424026817 533625120 /nfs/dbraw/zinc/62/51/20/533625120.db2.gz XTHIVTDVZYDOIL-DTWKUNHWSA-N 1 0 310.329 1.373 20 5 DDBDRO C/C=C/C[C@H](CO)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000568393507 304290909 /nfs/dbraw/zinc/29/09/09/304290909.db2.gz DOJIVPCBVAFBNC-VJTBZZIASA-N 1 0 310.350 1.251 20 5 DDBDRO CCO[C@@H]1C[C@@H]1[NH2+]Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000568588008 304299590 /nfs/dbraw/zinc/29/95/90/304299590.db2.gz FRRGOUAWZDBFKN-SMDDNHRTSA-N 1 0 324.333 1.414 20 5 DDBDRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000568966434 304324778 /nfs/dbraw/zinc/32/47/78/304324778.db2.gz ODXMDHVWQTWLDR-RISCZKNCSA-N 1 0 318.377 1.661 20 5 DDBDRO CS[C@H](C)C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000569450212 304354461 /nfs/dbraw/zinc/35/44/61/304354461.db2.gz WWKUFQOYDJJXCM-GHMZBOCLSA-N 1 0 300.380 1.676 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@@H]2[C@@H]2CCCOC2)c1 ZINC000569453280 304355144 /nfs/dbraw/zinc/35/51/44/304355144.db2.gz UVMIDDYHOWZRER-BPLDGKMQSA-N 1 0 324.381 1.043 20 5 DDBDRO CCCc1n[nH]c(C(=O)N[C@H]2C[C@H]2C2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC000361094836 299800846 /nfs/dbraw/zinc/80/08/46/299800846.db2.gz HPAOUIKEASJHPK-JQWIXIFHSA-N 1 0 321.381 1.388 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC[N@@H+](C(C)C)CC1 ZINC000068775377 406663283 /nfs/dbraw/zinc/66/32/83/406663283.db2.gz KAWJSZWKMDZUOZ-UHFFFAOYSA-N 1 0 323.397 1.433 20 5 DDBDRO CC(C)[C@H]([NH3+])CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000070447752 406816516 /nfs/dbraw/zinc/81/65/16/406816516.db2.gz LUOYCCMQGJAKDI-SNVBAGLBSA-N 1 0 321.786 1.510 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000044528898 407025574 /nfs/dbraw/zinc/02/55/74/407025574.db2.gz HTXORHORUCZCTN-NSHDSACASA-N 1 0 313.379 1.263 20 5 DDBDRO CC[C@@H]([NH2+]C[C@@H](O)CN1CCCC1=O)c1cccc([N+](=O)[O-])c1 ZINC000089515127 407138126 /nfs/dbraw/zinc/13/81/26/407138126.db2.gz DUEYZMVZBTYISY-HUUCEWRRSA-N 1 0 321.377 1.619 20 5 DDBDRO C[C@H]1CCCC[N@@H+]1CCNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000102332212 407321700 /nfs/dbraw/zinc/32/17/00/407321700.db2.gz VQGWXXKMWYQUGJ-LBPRGKRZSA-N 1 0 323.397 1.517 20 5 DDBDRO C[C@@H]1C[C@H](N(C)C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC[N@@H+]1C ZINC000123246325 407323900 /nfs/dbraw/zinc/32/39/00/407323900.db2.gz WHTUENXVUYFUOZ-VXGBXAGGSA-N 1 0 323.397 1.468 20 5 DDBDRO CC[N@@H+]1CCCC[C@H]1C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000067709386 407281784 /nfs/dbraw/zinc/28/17/84/407281784.db2.gz MQWUQHRQYJEQOQ-HNNXBMFYSA-N 1 0 320.393 1.997 20 5 DDBDRO CC[N@@H+]1CC[C@@H](CNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000107887212 407381274 /nfs/dbraw/zinc/38/12/74/407381274.db2.gz QGOROFAZHSPSAT-JTQLQIEISA-N 1 0 317.349 1.543 20 5 DDBDRO Cc1nn(C)c(C(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000126236859 407409131 /nfs/dbraw/zinc/40/91/31/407409131.db2.gz UMQOGJQANOALJJ-WDEREUQCSA-N 1 0 323.397 1.487 20 5 DDBDRO C[C@H]([NH2+]CCn1cccn1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000112548110 407431846 /nfs/dbraw/zinc/43/18/46/407431846.db2.gz HUSXMUNKXZZOBY-NSHDSACASA-N 1 0 303.322 1.408 20 5 DDBDRO C[C@H]([NH2+]CCn1cccn1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000112548024 407431874 /nfs/dbraw/zinc/43/18/74/407431874.db2.gz YTKNWNHUZPNWMJ-NSHDSACASA-N 1 0 303.322 1.408 20 5 DDBDRO CC(C)(C)C[N@H+](CCCO)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000112599424 407433479 /nfs/dbraw/zinc/43/34/79/407433479.db2.gz TVRNALKHOCTFHZ-UHFFFAOYSA-N 1 0 323.393 1.924 20 5 DDBDRO COCC[N@H+](C)CCNC(=O)/C(C)=C/c1ccc([N+](=O)[O-])cc1 ZINC000185765671 407497474 /nfs/dbraw/zinc/49/74/74/407497474.db2.gz WVRYESJCWQQFMA-OUKQBFOZSA-N 1 0 321.377 1.693 20 5 DDBDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000185802473 407507284 /nfs/dbraw/zinc/50/72/84/407507284.db2.gz DQURYWUXTVLNJB-QWRGUYRKSA-N 1 0 306.366 1.780 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@H](C[NH+](C)C)C1 ZINC000114478579 407580237 /nfs/dbraw/zinc/58/02/37/407580237.db2.gz RTYBPUJCCTWTNH-CYBMUJFWSA-N 1 0 320.393 1.725 20 5 DDBDRO [NH3+]C[C@H]1CCCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000261698502 407584627 /nfs/dbraw/zinc/58/46/27/407584627.db2.gz NXMRDFZUZHQTKL-SECBINFHSA-N 1 0 317.342 1.093 20 5 DDBDRO COc1ccc(NC(=O)C[N@H+](C)C[C@@H]2CCOC2)c([N+](=O)[O-])c1 ZINC000178759863 407590365 /nfs/dbraw/zinc/59/03/65/407590365.db2.gz HBZNDXINLIZGQR-NSHDSACASA-N 1 0 323.349 1.510 20 5 DDBDRO COc1ccc(NC(=O)CN2CCC(C[NH3+])CC2)c([N+](=O)[O-])c1 ZINC000260628844 407536718 /nfs/dbraw/zinc/53/67/18/407536718.db2.gz UEROMGJKGPKEMH-UHFFFAOYSA-N 1 0 322.365 1.213 20 5 DDBDRO CC(C)(C)[C@@H](C[NH3+])NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000261596108 407543988 /nfs/dbraw/zinc/54/39/88/407543988.db2.gz AQYXHKIZXAMRRA-LLVKDONJSA-N 1 0 301.368 1.247 20 5 DDBDRO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000178681773 407545929 /nfs/dbraw/zinc/54/59/29/407545929.db2.gz MSNIGJCLHUWQKQ-NXEZZACHSA-N 1 0 308.338 1.398 20 5 DDBDRO C[C@@H]([NH3+])C1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000178801481 407608577 /nfs/dbraw/zinc/60/85/77/407608577.db2.gz GSBBXIARQSKDBX-LLVKDONJSA-N 1 0 307.350 1.559 20 5 DDBDRO COc1cc(CN2CC[NH2+]CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000261777586 407612981 /nfs/dbraw/zinc/61/29/81/407612981.db2.gz JWDALUUAPZDUTA-UHFFFAOYSA-N 1 0 317.292 1.610 20 5 DDBDRO C[C@]1(C[NH3+])CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000262051020 407726518 /nfs/dbraw/zinc/72/65/18/407726518.db2.gz QYAOXKTYIKLDPZ-CQSZACIVSA-N 1 0 309.391 1.884 20 5 DDBDRO CCO[C@@H]1C[C@@]([NH3+])(C(=O)NCc2ccccc2[N+](=O)[O-])C1(C)C ZINC000186736545 407762238 /nfs/dbraw/zinc/76/22/38/407762238.db2.gz SBUYMKNSCYIPBS-CZUORRHYSA-N 1 0 321.377 1.744 20 5 DDBDRO CCn1c(CC[NH3+])nnc1Sc1ccc([N+](=O)[O-])cc1F ZINC000267158139 407770354 /nfs/dbraw/zinc/77/03/54/407770354.db2.gz YIBCLLRRHHPVSK-UHFFFAOYSA-N 1 0 311.342 1.998 20 5 DDBDRO C[NH2+]C[C@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000237282419 407811258 /nfs/dbraw/zinc/81/12/58/407811258.db2.gz YNFSABYJJSYATQ-MRVPVSSYSA-N 1 0 305.381 1.029 20 5 DDBDRO COc1ccc(NC(=O)C2(OC)CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000262524051 407857435 /nfs/dbraw/zinc/85/74/35/407857435.db2.gz OPEGFJWCIQQYKU-UHFFFAOYSA-N 1 0 309.322 1.311 20 5 DDBDRO C[NH+](C)C1CN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000134991279 407962817 /nfs/dbraw/zinc/96/28/17/407962817.db2.gz NOLWJNUEJWCUGN-UHFFFAOYSA-N 1 0 306.366 1.559 20 5 DDBDRO CCCc1n[nH]c(C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000268245213 407967609 /nfs/dbraw/zinc/96/76/09/407967609.db2.gz VYBAKZSZCWKZTC-JOYOIKCWSA-N 1 0 321.381 1.483 20 5 DDBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000272551636 407978087 /nfs/dbraw/zinc/97/80/87/407978087.db2.gz YZHHRYHZBYRZKB-NSHDSACASA-N 1 0 306.366 1.591 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)COc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000272562888 407984552 /nfs/dbraw/zinc/98/45/52/407984552.db2.gz UNRDILDCLUKAFC-OCCSQVGLSA-N 1 0 319.361 1.526 20 5 DDBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1c([N+](=O)[O-])cnn1C ZINC000245872941 408087686 /nfs/dbraw/zinc/08/76/86/408087686.db2.gz HEQZTKKFBGNFQS-MNOVXSKESA-N 1 0 309.370 1.179 20 5 DDBDRO CCC[N@H+](CCO)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000121446486 408214894 /nfs/dbraw/zinc/21/48/94/408214894.db2.gz SEMHXZOYRCRLOU-UHFFFAOYSA-N 1 0 309.366 1.936 20 5 DDBDRO CC[NH+]1CCC(NC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)CC1 ZINC000263712919 408221161 /nfs/dbraw/zinc/22/11/61/408221161.db2.gz AORRZMPFMBLOOZ-UHFFFAOYSA-N 1 0 323.397 1.399 20 5 DDBDRO C[C@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@H]1CCCO1 ZINC000183113609 408329872 /nfs/dbraw/zinc/32/98/72/408329872.db2.gz MHZLWDOYAXSHNR-XHDPSFHLSA-N 1 0 319.361 1.641 20 5 DDBDRO Nc1nc(N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)ncc1[N+](=O)[O-] ZINC000269427724 408305766 /nfs/dbraw/zinc/30/57/66/408305766.db2.gz OJQKNFJRHJVVPE-JQWIXIFHSA-N 1 0 318.381 1.420 20 5 DDBDRO Cc1c(NC(=O)CC[N@H+]2CC[C@H]([C@@H](C)O)C2)cccc1[N+](=O)[O-] ZINC000183208503 408354037 /nfs/dbraw/zinc/35/40/37/408354037.db2.gz DSAWPCPXUKTZTM-OLZOCXBDSA-N 1 0 321.377 1.935 20 5 DDBDRO O=C(CN1CCC[N@@H+](C2CC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000172346410 162270621 /nfs/dbraw/zinc/27/06/21/162270621.db2.gz UMHQVIVHYNBRFR-UHFFFAOYSA-N 1 0 318.377 1.703 20 5 DDBDRO NC(=O)C1([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000269672304 408385850 /nfs/dbraw/zinc/38/58/50/408385850.db2.gz VFBPIEFRLZNLDG-ZDUSSCGKSA-N 1 0 307.350 1.406 20 5 DDBDRO C[NH+](C)Cc1ccc(CNC(=O)c2[nH]ncc2[N+](=O)[O-])cc1 ZINC000159150735 408385990 /nfs/dbraw/zinc/38/59/90/408385990.db2.gz GNBFSYZWIMULHB-UHFFFAOYSA-N 1 0 303.322 1.310 20 5 DDBDRO Cc1cc(C(=O)NCC2(C)CC[NH2+]CC2)c(N)c([N+](=O)[O-])c1 ZINC000183308996 408375188 /nfs/dbraw/zinc/37/51/88/408375188.db2.gz VTCPPQRXTXRDMA-UHFFFAOYSA-N 1 0 306.366 1.605 20 5 DDBDRO Nc1c(C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000176835236 408456070 /nfs/dbraw/zinc/45/60/70/408456070.db2.gz KUMUWYFFSFHNRR-GFCCVEGCSA-N 1 0 318.377 1.735 20 5 DDBDRO C[NH+](C)CCC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000191634392 408459453 /nfs/dbraw/zinc/45/94/53/408459453.db2.gz MBDYBVZPIDOHDV-UHFFFAOYSA-N 1 0 320.393 1.981 20 5 DDBDRO CC[N@H+](CCO)CCNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000183950526 408513961 /nfs/dbraw/zinc/51/39/61/408513961.db2.gz FGLQJWQEVYBOTN-UHFFFAOYSA-N 1 0 315.757 1.292 20 5 DDBDRO O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CCC[NH2+]CC1 ZINC000160853030 408529950 /nfs/dbraw/zinc/52/99/50/408529950.db2.gz PDERZNSOEFMQKJ-UHFFFAOYSA-N 1 0 315.333 1.216 20 5 DDBDRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000191647012 408463630 /nfs/dbraw/zinc/46/36/30/408463630.db2.gz XXCHNHFZLGYWLR-VXGBXAGGSA-N 1 0 321.381 1.510 20 5 DDBDRO C[N@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)CC(C)(C)O ZINC000265155464 408564386 /nfs/dbraw/zinc/56/43/86/408564386.db2.gz UMMUZBGQBNFFOV-UHFFFAOYSA-N 1 0 315.757 1.889 20 5 DDBDRO C[C@@H]1C[C@@H](NC(=O)c2ccc(N)c([N+](=O)[O-])c2)C[N@@H+]1C1CC1 ZINC000177154586 408536668 /nfs/dbraw/zinc/53/66/68/408536668.db2.gz XZBJJXOBUOCYFP-MWLCHTKSSA-N 1 0 304.350 1.532 20 5 DDBDRO C[NH+](C)CCOc1cc(CNc2ncccc2[N+](=O)[O-])ccn1 ZINC000270633845 408611814 /nfs/dbraw/zinc/61/18/14/408611814.db2.gz GMZJZVZBQXKIFQ-UHFFFAOYSA-N 1 0 317.349 1.937 20 5 DDBDRO COc1ccc(C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1[N+](=O)[O-] ZINC000185026624 408740074 /nfs/dbraw/zinc/74/00/74/408740074.db2.gz HQHBULNYJIEYDB-TUAOUCFPSA-N 1 0 305.334 1.413 20 5 DDBDRO NC(=O)[C@@H]1CCCC[C@@H]1[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000184790847 408690253 /nfs/dbraw/zinc/69/02/53/408690253.db2.gz KXIZSDHCPFEATD-KGLIPLIRSA-N 1 0 307.350 1.607 20 5 DDBDRO CC[N@@H+]1CC[C@@H](CNC(=O)Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000162380457 408695424 /nfs/dbraw/zinc/69/54/24/408695424.db2.gz SZSKJWKDQGRHES-ZDUSSCGKSA-N 1 0 305.378 1.904 20 5 DDBDRO C[NH+](C)[C@@H](CNC(=O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000193135644 408699508 /nfs/dbraw/zinc/69/95/08/408699508.db2.gz YOCCVIRXDZJEOF-AWEZNQCLSA-N 1 0 317.349 1.210 20 5 DDBDRO CCOC(=O)c1ccnc(NC[C@@H]2CC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000265584794 408702132 /nfs/dbraw/zinc/70/21/32/408702132.db2.gz OBOSIZLEVXXLSL-JTQLQIEISA-N 1 0 308.338 1.530 20 5 DDBDRO COC[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000265733793 408761956 /nfs/dbraw/zinc/76/19/56/408761956.db2.gz AJJBRIDONRNKRX-NSHDSACASA-N 1 0 308.334 1.930 20 5 DDBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCO[C@]3(CCOC3)C2)cc1 ZINC000185156958 408771825 /nfs/dbraw/zinc/77/18/25/408771825.db2.gz HETOECIYCUCGND-MRXNPFEDSA-N 1 0 322.361 1.855 20 5 DDBDRO CCC[N@H+](C)C[C@@H]1CCN(c2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000290796091 408834502 /nfs/dbraw/zinc/83/45/02/408834502.db2.gz OXZPUSXUKRAAAE-NSHDSACASA-N 1 0 321.381 1.257 20 5 DDBDRO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000285742685 408854548 /nfs/dbraw/zinc/85/45/48/408854548.db2.gz LBPORQYPDAGMDM-MFKMUULPSA-N 1 0 319.365 1.407 20 5 DDBDRO C[NH+]1CCC([C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])n[nH]3)C2)CC1 ZINC000285791705 408864555 /nfs/dbraw/zinc/86/45/55/408864555.db2.gz OYRLYJXLAOGOMG-LLVKDONJSA-N 1 0 307.354 1.122 20 5 DDBDRO O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000187067902 163003214 /nfs/dbraw/zinc/00/32/14/163003214.db2.gz CFMRLKSZFJLMNL-NSHDSACASA-N 1 0 306.322 1.006 20 5 DDBDRO O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CC[NH+]2CCC1CC2 ZINC000188841112 163072992 /nfs/dbraw/zinc/07/29/92/163072992.db2.gz RXGUNPDTRMZZCA-UHFFFAOYSA-N 1 0 320.305 1.423 20 5 DDBDRO Cc1nn(C)c(C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)c1[N+](=O)[O-] ZINC000277398218 408933365 /nfs/dbraw/zinc/93/33/65/408933365.db2.gz BDSAUYFMYHYCIM-LBPRGKRZSA-N 1 0 321.381 1.383 20 5 DDBDRO COc1ccc(C[NH2+]CC(=O)NCc2ccco2)cc1[N+](=O)[O-] ZINC000237325601 163375997 /nfs/dbraw/zinc/37/59/97/163375997.db2.gz BANSFZUKYMSBKY-UHFFFAOYSA-N 1 0 319.317 1.602 20 5 DDBDRO COC(=O)c1cc(C)nc(NC[C@H](C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000291958450 408952929 /nfs/dbraw/zinc/95/29/29/408952929.db2.gz VBAGQYFYJUXYAR-VIFPVBQESA-N 1 0 310.354 1.694 20 5 DDBDRO CC(C)[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000291992232 408957549 /nfs/dbraw/zinc/95/75/49/408957549.db2.gz WXKLQIDYYJDNME-UONOGXRCSA-N 1 0 324.377 1.834 20 5 DDBDRO CC[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCNC1=O ZINC000282178782 409005782 /nfs/dbraw/zinc/00/57/82/409005782.db2.gz VPHUGUMMVZRXPQ-ZDUSSCGKSA-N 1 0 320.349 1.134 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@H](OCc3ccncc3)C2)n1 ZINC000287639385 409068746 /nfs/dbraw/zinc/06/87/46/409068746.db2.gz GBRKRXPOJCQONG-AWEZNQCLSA-N 1 0 317.349 1.477 20 5 DDBDRO C[C@@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)[C@H](C)[NH3+] ZINC000449595878 287000182 /nfs/dbraw/zinc/00/01/82/287000182.db2.gz VUXKBZMHUWYQPA-WDEREUQCSA-N 1 0 306.366 1.661 20 5 DDBDRO Cc1c(NC(=O)c2cc([C@H]3CC[NH2+]C3)[nH]n2)cccc1[N+](=O)[O-] ZINC000278993710 409127782 /nfs/dbraw/zinc/12/77/82/409127782.db2.gz LJEUPBHZLQFIIE-JTQLQIEISA-N 1 0 315.333 1.956 20 5 DDBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)[NH+](C)C ZINC000294272286 409270062 /nfs/dbraw/zinc/27/00/62/409270062.db2.gz HDFCRPQTFIZUIP-VIFPVBQESA-N 1 0 312.345 1.480 20 5 DDBDRO C[N@@H+]1CCO[C@H]2CCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)C[C@@H]21 ZINC000284887863 409369040 /nfs/dbraw/zinc/36/90/40/409369040.db2.gz GWNNXUMCCNJIDR-KBPBESRZSA-N 1 0 317.349 1.380 20 5 DDBDRO Cc1cc(S(=O)(=O)N[C@H]2CC[NH2+][C@H](C)C2)ccc1[N+](=O)[O-] ZINC000262747776 163873214 /nfs/dbraw/zinc/87/32/14/163873214.db2.gz AXKPAAXWGNLUPK-MNOVXSKESA-N 1 0 313.379 1.322 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCCC[C@@H]2c2cc[nH]n2)c1 ZINC000285390753 409424564 /nfs/dbraw/zinc/42/45/64/409424564.db2.gz NXXJLDZYXQMSML-GXTWGEPZSA-N 1 0 320.353 1.103 20 5 DDBDRO Cc1c(Cl)cc(S(=O)(=O)N[C@@H](C)CC[NH3+])cc1[N+](=O)[O-] ZINC000312432345 164008325 /nfs/dbraw/zinc/00/83/25/164008325.db2.gz BGRZGSLZXMZHMA-ZETCQYMHSA-N 1 0 321.786 1.572 20 5 DDBDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1 ZINC000374832006 164174635 /nfs/dbraw/zinc/17/46/35/164174635.db2.gz FNRRTWDLZRKTEY-SNVBAGLBSA-N 1 0 324.356 1.872 20 5 DDBDRO COc1c(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000331513245 409587692 /nfs/dbraw/zinc/58/76/92/409587692.db2.gz MZHHIBLWVQVJGP-JTQLQIEISA-N 1 0 305.334 1.570 20 5 DDBDRO C[C@@H]1CC[N@H+](C)CCN1C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000354008342 409597746 /nfs/dbraw/zinc/59/77/46/409597746.db2.gz SINDALPGBYZFNW-LLVKDONJSA-N 1 0 309.370 1.079 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@H]2c2ccccc2)c1 ZINC000304339052 409610001 /nfs/dbraw/zinc/61/00/01/409610001.db2.gz PGALAKOWPHARFT-HOTGVXAUSA-N 1 0 316.361 1.989 20 5 DDBDRO CC[N@@H+]1CCC[C@H]1CN(C)c1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000342788904 409907832 /nfs/dbraw/zinc/90/78/32/409907832.db2.gz NYJOYXYCWNNUIR-NSHDSACASA-N 1 0 306.366 1.614 20 5 DDBDRO C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000354521309 409915019 /nfs/dbraw/zinc/91/50/19/409915019.db2.gz NHZDAZDFWUSWHK-WCQYABFASA-N 1 0 315.333 1.146 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000342759494 409883444 /nfs/dbraw/zinc/88/34/44/409883444.db2.gz PFSGWCUXMMLTSG-OAHLLOKOSA-N 1 0 307.350 1.723 20 5 DDBDRO C[N@@H+]1CC[C@]2(CCN(C(=O)Nc3ccncc3[N+](=O)[O-])C2)C1 ZINC000297855308 410028470 /nfs/dbraw/zinc/02/84/70/410028470.db2.gz TXIKWKJAJGQPOZ-AWEZNQCLSA-N 1 0 305.338 1.549 20 5 DDBDRO COC(=O)[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)[C@H]1C ZINC000346695005 410091146 /nfs/dbraw/zinc/09/11/46/410091146.db2.gz XRTIGVQTGIDDNE-GXFFZTMASA-N 1 0 308.334 1.987 20 5 DDBDRO NC(=O)c1cccc(NCC2CC[NH+](C3CC3)CC2)c1[N+](=O)[O-] ZINC000343054871 410108628 /nfs/dbraw/zinc/10/86/28/410108628.db2.gz QLTSKJTVBCYUDD-UHFFFAOYSA-N 1 0 318.377 1.980 20 5 DDBDRO C[C@@H]1CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H](C)[NH+]1C ZINC000339632120 410343866 /nfs/dbraw/zinc/34/38/66/410343866.db2.gz WSMZFLLBZJAREM-CHWSQXEVSA-N 1 0 320.393 1.948 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000351861723 410301375 /nfs/dbraw/zinc/30/13/75/410301375.db2.gz MABGXQZQRQDGFE-NWDGAFQWSA-N 1 0 306.366 1.511 20 5 DDBDRO C[C@H]1[C@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])CCC[N@@H+]1C ZINC000343451721 410463326 /nfs/dbraw/zinc/46/33/26/410463326.db2.gz OLEBVOQRUXOEFW-QWHCGFSZSA-N 1 0 321.377 1.963 20 5 DDBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000343550615 410525671 /nfs/dbraw/zinc/52/56/71/410525671.db2.gz CCXJOILHUVPQTH-NSHDSACASA-N 1 0 306.366 1.781 20 5 DDBDRO C[C@@H]1[C@H](NC(=O)NCc2ccccc2[N+](=O)[O-])CCC[N@@H+]1C ZINC000343609416 410568095 /nfs/dbraw/zinc/56/80/95/410568095.db2.gz SJUUGEFOEVFGRD-DGCLKSJQSA-N 1 0 306.366 1.877 20 5 DDBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000343572767 410541432 /nfs/dbraw/zinc/54/14/32/410541432.db2.gz PIVGJHPBUVPUPD-AWEZNQCLSA-N 1 0 321.377 1.964 20 5 DDBDRO C[C@H]1COCCN1CC[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000352570319 410666610 /nfs/dbraw/zinc/66/66/10/410666610.db2.gz FXWNAMSRGQLEBP-AWEZNQCLSA-N 1 0 307.394 1.790 20 5 DDBDRO C[C@@H](C[NH3+])NC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000347651996 410653036 /nfs/dbraw/zinc/65/30/36/410653036.db2.gz BGEWGCQYXFAYSH-NEPJUHHUSA-N 1 0 320.393 1.908 20 5 DDBDRO C[C@H](C[NH3+])NC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000347652000 410653082 /nfs/dbraw/zinc/65/30/82/410653082.db2.gz BGEWGCQYXFAYSH-NWDGAFQWSA-N 1 0 320.393 1.908 20 5 DDBDRO Cc1cc(C(=O)Nc2ccnn2CC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000359497020 410692985 /nfs/dbraw/zinc/69/29/85/410692985.db2.gz WDYBOJWKTNPUGK-UHFFFAOYSA-N 1 0 317.349 1.914 20 5 DDBDRO CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000353145043 410810018 /nfs/dbraw/zinc/81/00/18/410810018.db2.gz JHCYICZQIJQXKF-LSDHHAIUSA-N 1 0 320.393 1.757 20 5 DDBDRO CO[C@@H](C)C[N@H+](C)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000353236586 410871677 /nfs/dbraw/zinc/87/16/77/410871677.db2.gz SWFCGUJCGKVMOR-FZMZJTMJSA-N 1 0 307.350 1.667 20 5 DDBDRO O=C(CC[N@H+]1C[C@@H]2CC[C@@H](O)[C@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000344044941 410916819 /nfs/dbraw/zinc/91/68/19/410916819.db2.gz XVGBWYJJIGANLG-TUKIKUTGSA-N 1 0 319.361 1.626 20 5 DDBDRO COC1CC[NH+](C(C)(C)CNC(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000341256204 410967996 /nfs/dbraw/zinc/96/79/96/410967996.db2.gz HMUAWMXHVUXHHW-UHFFFAOYSA-N 1 0 324.381 1.542 20 5 DDBDRO CC(C)[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC[N@@H+]1C ZINC000331135296 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1.883 20 5 DDBDRO Cc1ccc(NC(=O)C(=O)N[C@H]2CCCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000415860018 224753373 /nfs/dbraw/zinc/75/33/73/224753373.db2.gz BLDIHFIYRUFPKL-LBPRGKRZSA-N 1 0 320.349 1.100 20 5 DDBDRO O=[N+]([O-])c1ccc(-c2nc(CN3CCOC[C@@H](O)C3)co2)cc1 ZINC000295587772 225019710 /nfs/dbraw/zinc/01/97/10/225019710.db2.gz MHNIUIYVARAJIG-AWEZNQCLSA-N 1 0 319.317 1.443 20 5 DDBDRO CN(C)C1(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000417352075 225305253 /nfs/dbraw/zinc/30/52/53/225305253.db2.gz FFSXMLFJQMBOJF-STQMWFEESA-N 1 0 307.398 1.959 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2C[C@H](C)[C@H]([NH3+])C2)c1 ZINC000420437370 226494835 /nfs/dbraw/zinc/49/48/35/226494835.db2.gz PVXLQDLKCGVIOA-GXSJLCMTSA-N 1 0 313.379 1.179 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1c2ccccc2C[C@H]1C[NH3+] ZINC000422625390 227079345 /nfs/dbraw/zinc/07/93/45/227079345.db2.gz GOLQOCDQGAXLCS-LBPRGKRZSA-N 1 0 315.333 1.016 20 5 DDBDRO O=C(CCn1cc([N+](=O)[O-])cn1)N1CCC([C@@H]2CC[NH2+]C2)CC1 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DQWSKYONVCYBDG-JGVFFNPUSA-N 1 0 305.381 1.075 20 5 DDBDRO CON(C)C(=O)C1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000291220745 222233177 /nfs/dbraw/zinc/23/31/77/222233177.db2.gz JLGBHOARQDCHEG-UHFFFAOYSA-N 1 0 307.350 1.827 20 5 DDBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N1CCC[N@@H+]([C@H](C)CO)CC1 ZINC000367825320 418640597 /nfs/dbraw/zinc/64/05/97/418640597.db2.gz JJGLHMIUEKDREC-GFCCVEGCSA-N 1 0 321.377 1.690 20 5 DDBDRO CC(C)N(CC[NH+]1CCCCCC1)c1ncc([N+](=O)[O-])c(N)n1 ZINC000353876207 418646607 /nfs/dbraw/zinc/64/66/07/418646607.db2.gz RBADEXXGTVDJFA-UHFFFAOYSA-N 1 0 322.413 2.058 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CN1CCC[N@@H+]([C@H](C)CO)CC1 ZINC000375502215 418651792 /nfs/dbraw/zinc/65/17/92/418651792.db2.gz RFOYOUUEHFERSA-CYBMUJFWSA-N 1 0 323.393 1.492 20 5 DDBDRO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000375668208 418670839 /nfs/dbraw/zinc/67/08/39/418670839.db2.gz DNOMXMNIDZOPBW-RRFJBIMHSA-N 1 0 303.362 1.290 20 5 DDBDRO 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/nfs/dbraw/zinc/39/57/57/419395757.db2.gz CZVGTCVJYSYVEE-ZIAGYGMSSA-N 1 0 318.377 1.388 20 5 DDBDRO C[C@@H]1CC[C@H](O)C[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000420996435 419432861 /nfs/dbraw/zinc/43/28/61/419432861.db2.gz ATNUYQRECVNQAN-RISCZKNCSA-N 1 0 307.350 1.769 20 5 DDBDRO CN(C[C@H](O)COc1cccc([N+](=O)[O-])c1)C[C@H]1CCC[N@@H+]1C ZINC000421000179 419433145 /nfs/dbraw/zinc/43/31/45/419433145.db2.gz KANZSJACSKSMHN-CABCVRRESA-N 1 0 323.393 1.361 20 5 DDBDRO Cc1c(CNC(=O)NCC[C@H]2CC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000418080787 419517748 /nfs/dbraw/zinc/51/77/48/419517748.db2.gz MYYSLOARBSGGMT-GFCCVEGCSA-N 1 0 306.366 1.702 20 5 DDBDRO CN(C(=O)CN1CC[C@@H]2[NH2+]CC[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000428036268 228695496 /nfs/dbraw/zinc/69/54/96/228695496.db2.gz GWZBKVACERVMPD-DOMZBBRYSA-N 1 0 318.377 1.241 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N(C)C[C@H]2CCC[N@@H+]2C)c1 ZINC000421706657 419692105 /nfs/dbraw/zinc/69/21/05/419692105.db2.gz VKMUPIMSJYAIFF-LLVKDONJSA-N 1 0 307.350 1.770 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCCOCC[NH+](C)C ZINC000421795400 419734347 /nfs/dbraw/zinc/73/43/47/419734347.db2.gz IBLXXPOVSDELIR-UHFFFAOYSA-N 1 0 309.366 1.520 20 5 DDBDRO O=C(NC[C@H]1CCC[NH2+]1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000418355934 419738021 /nfs/dbraw/zinc/73/80/21/419738021.db2.gz BVNJRHPBHHFFRD-GFCCVEGCSA-N 1 0 320.349 1.251 20 5 DDBDRO C[NH2+]C[C@H](C)CNC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000418389144 419766441 /nfs/dbraw/zinc/76/64/41/419766441.db2.gz OAHNZMQOGPBOCH-LBPRGKRZSA-N 1 0 308.382 1.634 20 5 DDBDRO C[C@@H]1CN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@@H](C)[NH2+]1 ZINC000430946389 228986691 /nfs/dbraw/zinc/98/66/91/228986691.db2.gz ALUXQJWOIRZMJK-GHMZBOCLSA-N 1 0 317.349 1.827 20 5 DDBDRO Cc1cc(OCC(=O)N2CC[N@@H+](C)[C@@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000432249307 229090534 /nfs/dbraw/zinc/09/05/34/229090534.db2.gz CUTUUKFJVVFKQQ-STQMWFEESA-N 1 0 321.377 1.833 20 5 DDBDRO C[NH2+][C@@H](C)CNC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000418614566 419901475 /nfs/dbraw/zinc/90/14/75/419901475.db2.gz FETSMEVVWGVWLW-JTQLQIEISA-N 1 0 308.338 1.107 20 5 DDBDRO Cn1ccnc1[C@@H](NC[C@@H]([NH3+])C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000423317829 420010800 /nfs/dbraw/zinc/01/08/00/420010800.db2.gz KRJPNVPFUBXPNS-CABCVRRESA-N 1 0 315.377 1.745 20 5 DDBDRO C[C@H]([NH3+])[C@H](C)N[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000423457884 420055287 /nfs/dbraw/zinc/05/52/87/420055287.db2.gz GHIXHQJDIRQJIG-MJVIPROJSA-N 1 0 303.366 1.743 20 5 DDBDRO Cc1c(CC(=O)N[C@@H](CC[NH3+])C(F)F)cccc1[N+](=O)[O-] ZINC000423707997 420136256 /nfs/dbraw/zinc/13/62/56/420136256.db2.gz PCWORIXNIWJQNG-JTQLQIEISA-N 1 0 301.293 1.544 20 5 DDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000423578425 420086481 /nfs/dbraw/zinc/08/64/81/420086481.db2.gz UNLFQWQPMQJDHB-GARJFASQSA-N 1 0 304.350 1.376 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000423593177 420091439 /nfs/dbraw/zinc/09/14/39/420091439.db2.gz MKUZLTGVQUTUTD-WDEREUQCSA-N 1 0 307.350 1.993 20 5 DDBDRO C[C@H](C[NH3+])N(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000420286468 420183699 /nfs/dbraw/zinc/18/36/99/420183699.db2.gz GRCCNAZWOHWMKS-MRVPVSSYSA-N 1 0 300.746 1.466 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000430928936 420210943 /nfs/dbraw/zinc/21/09/43/420210943.db2.gz VUXMJTIRSRFMFW-VXGBXAGGSA-N 1 0 306.366 1.524 20 5 DDBDRO [NH3+]C[C@H]1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000430933440 420213223 /nfs/dbraw/zinc/21/32/23/420213223.db2.gz KTRLQMHAJWBPEF-SNVBAGLBSA-N 1 0 303.322 1.425 20 5 DDBDRO CC(C)[C@](C)(C[NH3+])NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000430585335 420149503 /nfs/dbraw/zinc/14/95/03/420149503.db2.gz RUJIDEFUYCBJAY-HNNXBMFYSA-N 1 0 308.382 1.521 20 5 DDBDRO C[NH2+]CCNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000415701776 420151109 /nfs/dbraw/zinc/15/11/09/420151109.db2.gz OSPYHLARBPKHKD-UHFFFAOYSA-N 1 0 317.143 1.698 20 5 DDBDRO C[NH2+][C@@H]1CCN([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000430601683 420152902 /nfs/dbraw/zinc/15/29/02/420152902.db2.gz FBTIHSSOMRVJKE-GHMZBOCLSA-N 1 0 322.365 1.224 20 5 DDBDRO C[C@@H]1[NH2+]CCC[C@H]1Nc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000420251669 420169444 /nfs/dbraw/zinc/16/94/44/420169444.db2.gz XPMLTGJDEJCZRI-JOYOIKCWSA-N 1 0 303.322 2.197 20 5 DDBDRO CCOC(=O)c1cc(N2CC[C@H]3C[NH2+]C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000420252182 420169457 /nfs/dbraw/zinc/16/94/57/420169457.db2.gz AQLHSCAYVMVFEW-RYUDHWBXSA-N 1 0 319.361 1.817 20 5 DDBDRO CCc1ccccc1[C@@H]([NH3+])CNc1ncc([N+](=O)[O-])c(C)n1 ZINC000420268602 420174871 /nfs/dbraw/zinc/17/48/71/420174871.db2.gz DQWNDAIPQUROIX-ZDUSSCGKSA-N 1 0 301.350 2.368 20 5 DDBDRO NC(=O)c1ccc(CN2C[C@H]3CCC[C@@H](C2)[NH2+]3)c([N+](=O)[O-])c1 ZINC000420346151 420224955 /nfs/dbraw/zinc/22/49/55/420224955.db2.gz CGWPOKQMASYJQR-BETUJISGSA-N 1 0 304.350 1.020 20 5 DDBDRO C[C@@H]1CN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])C[C@@]1(C)C[NH3+] ZINC000423982049 420289557 /nfs/dbraw/zinc/28/95/57/420289557.db2.gz HWLCMTVZFKNFRZ-MLGOLLRUSA-N 1 0 320.393 1.474 20 5 DDBDRO COc1ccc(OCCN2C[C@H]3CCC[C@@H](C2)[NH2+]3)c([N+](=O)[O-])c1 ZINC000420392658 420258422 /nfs/dbraw/zinc/25/84/22/420258422.db2.gz JBOCVAGLPITPFW-BETUJISGSA-N 1 0 321.377 1.809 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCC([NH3+])CC2)c1 ZINC000420402742 420264881 /nfs/dbraw/zinc/26/48/81/420264881.db2.gz IYDGNAPYIQJATQ-UHFFFAOYSA-N 1 0 313.379 1.323 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCC2([NH+](C)C)CC2)c1 ZINC000416302611 420319647 /nfs/dbraw/zinc/31/96/47/420319647.db2.gz PCDPQVUFFLECFA-UHFFFAOYSA-N 1 0 321.377 1.883 20 5 DDBDRO C[NH+](C)C1CCC(Nc2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000420632700 420336029 /nfs/dbraw/zinc/33/60/29/420336029.db2.gz XKQKVUAROLJNIO-UHFFFAOYSA-N 1 0 307.354 1.373 20 5 DDBDRO CC(C)([NH3+])CNC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000417714932 420458809 /nfs/dbraw/zinc/45/88/09/420458809.db2.gz IANTYQICVULWBJ-UHFFFAOYSA-N 1 0 308.382 1.954 20 5 DDBDRO C[C@@H]([NH3+])[C@H](C)NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000417716193 420459547 /nfs/dbraw/zinc/45/95/47/420459547.db2.gz JKAHVFLTBXNUED-NEPJUHHUSA-N 1 0 308.382 1.952 20 5 DDBDRO CC1(C)COC[C@H]1[NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000451809696 420611951 /nfs/dbraw/zinc/61/19/51/420611951.db2.gz JUIZLHZEFJLJPN-ZIAGYGMSSA-N 1 0 319.361 1.715 20 5 DDBDRO C[C@@H]1CN(C(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000493414989 420843233 /nfs/dbraw/zinc/84/32/33/420843233.db2.gz GDWOMIQLKGBEBY-CEBVKENUSA-N 1 0 307.325 1.943 20 5 DDBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@@H](CO)[C@H]1CCCO1 ZINC000447912096 420816103 /nfs/dbraw/zinc/81/61/03/420816103.db2.gz JJFCBEKHCUQREI-WCQYABFASA-N 1 0 300.742 1.878 20 5 DDBDRO CNc1nc(C(=O)NC2CC[NH+](C3CC3)CC2)ccc1[N+](=O)[O-] ZINC000454427219 420856221 /nfs/dbraw/zinc/85/62/21/420856221.db2.gz OPGBKQKLBUTCEU-UHFFFAOYSA-N 1 0 319.365 1.388 20 5 DDBDRO CC[N@@H+]1CC[C@H](NC(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000493700484 420919435 /nfs/dbraw/zinc/91/94/35/420919435.db2.gz XREIQTVPRSKORQ-BPJJOFIESA-N 1 0 307.325 1.958 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCc2ncnn2C1 ZINC000449128220 420956102 /nfs/dbraw/zinc/95/61/02/420956102.db2.gz YOCUSJYVFIHFGJ-DGCLKSJQSA-N 1 0 301.350 1.722 20 5 DDBDRO CC[N@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000448975277 420926326 /nfs/dbraw/zinc/92/63/26/420926326.db2.gz GVXLYFCDEGSCSP-UHFFFAOYSA-N 1 0 317.349 1.462 20 5 DDBDRO CN(C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)C1CC([NH3+])C1 ZINC000449630064 421040183 /nfs/dbraw/zinc/04/01/83/421040183.db2.gz GYDKMAFFNQEQDX-UHFFFAOYSA-N 1 0 315.333 1.342 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@H](CO)[C@@H]1C ZINC000488767295 421113245 /nfs/dbraw/zinc/11/32/45/421113245.db2.gz VTVTVGZCRIXWSI-WDEREUQCSA-N 1 0 323.349 1.245 20 5 DDBDRO C[C@@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)C[C@H](C)[N@H+]1CCO ZINC000456216421 421124293 /nfs/dbraw/zinc/12/42/93/421124293.db2.gz VHIWXJNPXPEVCX-BETUJISGSA-N 1 0 321.377 1.051 20 5 DDBDRO Nc1c(F)c(NC[C@@H]2CCC[N@@H+]2CCCO)ccc1[N+](=O)[O-] ZINC000450590407 421213318 /nfs/dbraw/zinc/21/33/18/421213318.db2.gz DREQMIUMMJHKAI-JTQLQIEISA-N 1 0 312.345 1.575 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(NC[C@@H]2CCC[N@@H+]2CCCO)c1 ZINC000450593998 421214359 /nfs/dbraw/zinc/21/43/59/421214359.db2.gz JWWUYSGXEGVKEX-LBPRGKRZSA-N 1 0 309.366 1.862 20 5 DDBDRO O=[N+]([O-])c1cccc2c1ccnc2N1CCC([NH2+]CCO)CC1 ZINC000450410949 421194625 /nfs/dbraw/zinc/19/46/25/421194625.db2.gz NSMXOQFNOYCBPW-UHFFFAOYSA-N 1 0 316.361 1.694 20 5 DDBDRO COC(=O)c1cc(NC(=O)/C=C\C[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000491906141 421204456 /nfs/dbraw/zinc/20/44/56/421204456.db2.gz ONTIRSXHFHSCGM-PLNGDYQASA-N 1 0 307.306 1.438 20 5 DDBDRO CC(C)(C)[NH2+]CCNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000525759021 421299784 /nfs/dbraw/zinc/29/97/84/421299784.db2.gz NZIKCLUBVLFHPS-UHFFFAOYSA-N 1 0 323.349 1.484 20 5 DDBDRO C[C@@H]1CC[N@H+](CCNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000525805301 421302628 /nfs/dbraw/zinc/30/26/28/421302628.db2.gz KFCSYMZHRNAVHR-SNVBAGLBSA-N 1 0 321.333 1.395 20 5 DDBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)NCC1=CC[NH2+]CC1 ZINC000515522115 421508231 /nfs/dbraw/zinc/50/82/31/421508231.db2.gz WFHUHKXDBOMMLF-UHFFFAOYSA-N 1 0 320.349 1.193 20 5 DDBDRO CNc1nccc(C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000563896102 421553318 /nfs/dbraw/zinc/55/33/18/421553318.db2.gz CQXBWEIAWSCVFF-QWRGUYRKSA-N 1 0 321.381 1.634 20 5 DDBDRO CO[C@@H](C)[C@@H](C)[NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000564092647 421569590 /nfs/dbraw/zinc/56/95/90/421569590.db2.gz DUVLAODOPVRKNJ-UHIISALHSA-N 1 0 307.350 1.713 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000517714026 421624702 /nfs/dbraw/zinc/62/47/02/421624702.db2.gz QIIZNHBRUNREQK-TXEJJXNPSA-N 1 0 304.350 1.895 20 5 DDBDRO COc1ccc(CC(=O)N2CC[NH2+]C(C)(C)C2)cc1[N+](=O)[O-] ZINC000531353872 421631813 /nfs/dbraw/zinc/63/18/13/421631813.db2.gz JEVHQKZWQASQBN-UHFFFAOYSA-N 1 0 307.350 1.356 20 5 DDBDRO CC(C)[NH+]1CCC(NC(=O)c2ccnc(N)c2[N+](=O)[O-])CC1 ZINC000537777442 421734430 /nfs/dbraw/zinc/73/44/30/421734430.db2.gz UKDPRMLOQQMFSL-UHFFFAOYSA-N 1 0 307.354 1.175 20 5 DDBDRO COC[C@@]1(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC[NH2+]C1 ZINC000571873652 421749080 /nfs/dbraw/zinc/74/90/80/421749080.db2.gz ZXJFPYBJVHHWSS-OAHLLOKOSA-N 1 0 305.334 1.110 20 5 DDBDRO [NH3+]CCC1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000522007337 421811442 /nfs/dbraw/zinc/81/14/42/421811442.db2.gz FGEIAQCTWISIFO-UHFFFAOYSA-N 1 0 319.408 1.406 20 5 DDBDRO COC(=O)c1cnc(NC[C@@H]2CC[N@@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000572090480 421764511 /nfs/dbraw/zinc/76/45/11/421764511.db2.gz LEQJCYNAQOXHNM-JTQLQIEISA-N 1 0 320.349 1.673 20 5 DDBDRO CC(C)c1ccc(C(=O)N2CCC(O)(C[NH3+])CC2)cc1[N+](=O)[O-] ZINC000572999914 421895737 /nfs/dbraw/zinc/89/57/37/421895737.db2.gz BFWPMVAPULKUQV-UHFFFAOYSA-N 1 0 321.377 1.644 20 5 DDBDRO Cc1ccc(C)c(S(=O)(=O)N[C@@H](C)C[C@H](C)[NH3+])c1[N+](=O)[O-] ZINC000582002827 422086669 /nfs/dbraw/zinc/08/66/69/422086669.db2.gz HNQTXEPPQRPPPT-QWRGUYRKSA-N 1 0 315.395 1.616 20 5 DDBDRO [NH3+][C@@H](CCC(=O)NCCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000574630636 422146517 /nfs/dbraw/zinc/14/65/17/422146517.db2.gz KVIIYPCHBWMHRH-AWEZNQCLSA-N 1 0 317.349 1.388 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@H]1CCCOCC1 ZINC000583559671 422185263 /nfs/dbraw/zinc/18/52/63/422185263.db2.gz GIFRTMUZOOVTPN-STQMWFEESA-N 1 0 310.350 1.493 20 5 DDBDRO CC1(C)[C@H](O)C[C@@H]1[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000582189289 422128777 /nfs/dbraw/zinc/12/87/77/422128777.db2.gz LPPQYHQVQZUOND-QWHCGFSZSA-N 1 0 307.350 1.672 20 5 DDBDRO O=C(CN1CC[C@@]2(C1)CCC[NH2+]C2)Nc1ccccc1[N+](=O)[O-] ZINC000575059835 422248532 /nfs/dbraw/zinc/24/85/32/422248532.db2.gz LOLAXHVNHFOVBK-INIZCTEOSA-N 1 0 318.377 1.609 20 5 DDBDRO Nc1ccc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)cn1 ZINC000592432755 422332725 /nfs/dbraw/zinc/33/27/25/422332725.db2.gz VIJRXIPLEIAYAT-UHFFFAOYSA-N 1 0 302.338 1.606 20 5 DDBDRO COc1ccc(C[NH2+]CCN2CCC(O)CC2)cc1[N+](=O)[O-] ZINC000321600299 271028531 /nfs/dbraw/zinc/02/85/31/271028531.db2.gz SYXRYPMZJRGLCO-UHFFFAOYSA-N 1 0 309.366 1.150 20 5 DDBDRO COC[C@]1(CNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)CCC[NH2+]1 ZINC000323702334 271031240 /nfs/dbraw/zinc/03/12/40/271031240.db2.gz GHQRGDIOOUCTAS-FYCOFBDGSA-N 1 0 319.361 1.493 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCCCC[C@H]1CCO ZINC000342070547 271290366 /nfs/dbraw/zinc/29/03/66/271290366.db2.gz WRPSCGQBBWGEDU-ZDUSSCGKSA-N 1 0 309.366 1.384 20 5 DDBDRO [NH3+]CC1CCC(CNC(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000343701628 271840427 /nfs/dbraw/zinc/84/04/27/271840427.db2.gz ZWBYLWFDUUYOIP-UHFFFAOYSA-N 1 0 321.377 1.855 20 5 DDBDRO CC[NH+](CC)C[C@@H](C)NC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000336862233 273637530 /nfs/dbraw/zinc/63/75/30/273637530.db2.gz HTEYFLBEVKOYHI-SECBINFHSA-N 1 0 312.345 1.776 20 5 DDBDRO O=[N+]([O-])c1cnc2ccc(NC3CC[NH+](C4CC4)CC3)nn21 ZINC000301935309 275041909 /nfs/dbraw/zinc/04/19/09/275041909.db2.gz QWJKJOSXHBWTFY-UHFFFAOYSA-N 1 0 302.338 1.676 20 5 DDBDRO CCOC(=O)[C@@H]1NCC[C@H]1[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000423147152 279600213 /nfs/dbraw/zinc/60/02/13/279600213.db2.gz REGYUECCCZQGQV-ZLKJLUDKSA-N 1 0 307.350 1.539 20 5 DDBDRO Cc1[nH]nc(C(=O)Nc2ccc3c(c2)C[NH2+]CCO3)c1[N+](=O)[O-] ZINC000291089137 280190669 /nfs/dbraw/zinc/19/06/69/280190669.db2.gz PRQKNDJGEGGKFA-UHFFFAOYSA-N 1 0 317.305 1.361 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000420448272 280656339 /nfs/dbraw/zinc/65/63/39/280656339.db2.gz WKJVNOZKKRCNKA-UWVGGRQHSA-N 1 0 301.368 1.226 20 5 DDBDRO CO[C@](C)([C@H](C)[NH2+]CCn1cc([N+](=O)[O-])ccc1=O)C1CC1 ZINC000411965477 294786086 /nfs/dbraw/zinc/78/60/86/294786086.db2.gz FNAZLTCPSWUVFV-XHDPSFHLSA-N 1 0 309.366 1.550 20 5 DDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000423578423 295362926 /nfs/dbraw/zinc/36/29/26/295362926.db2.gz UNLFQWQPMQJDHB-DCAQKATOSA-N 1 0 304.350 1.376 20 5 DDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1F)N[C@@H]1CCc2[nH]cnc2C1 ZINC000357972102 299037468 /nfs/dbraw/zinc/03/74/68/299037468.db2.gz HZQPWHBNDBSDOH-SNVBAGLBSA-N 1 0 318.308 1.673 20 5 DDBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000362301247 300047156 /nfs/dbraw/zinc/04/71/56/300047156.db2.gz QWCNBYNPHBVSOQ-LBPRGKRZSA-N 1 0 308.382 1.737 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N1CCC[N@@H+](C2CC2)CC1 ZINC000363628382 300288917 /nfs/dbraw/zinc/28/89/17/300288917.db2.gz PPTRIPQWDQLIPX-UHFFFAOYSA-N 1 0 319.361 1.670 20 5 DDBDRO C[C@@H]1C[C@H](C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@H](C)O1 ZINC000574750510 304680434 /nfs/dbraw/zinc/68/04/34/304680434.db2.gz VMMBVZJAJDSQRP-RQJABVFESA-N 1 0 324.377 1.738 20 5 DDBDRO COc1cc(C(=O)N[C@@H]2CC23CC[NH2+]CC3)ccc1[N+](=O)[O-] ZINC000368376020 301014295 /nfs/dbraw/zinc/01/42/95/301014295.db2.gz KNNLRTIFDAYZSF-CYBMUJFWSA-N 1 0 305.334 1.475 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@H]3COC[C@H]32)c1 ZINC000368519557 301047212 /nfs/dbraw/zinc/04/72/12/301047212.db2.gz QUANIECLBTVHRC-DUVNUKRYSA-N 1 0 322.361 1.445 20 5 DDBDRO Nc1ccc(C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1[N+](=O)[O-] ZINC000368611926 301063446 /nfs/dbraw/zinc/06/34/46/301063446.db2.gz JNAWVVSVMCUDSH-SRVKXCTJSA-N 1 0 304.350 1.376 20 5 DDBDRO CC1(C)C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@@H]2CCC[C@H]2O1 ZINC000369181688 301140943 /nfs/dbraw/zinc/14/09/43/301140943.db2.gz AWCSVNZQWXNIPC-ZIAGYGMSSA-N 1 0 321.377 1.788 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1CN1CCC[C@H]1C[NH+]1CCCCC1 ZINC000370057714 301268173 /nfs/dbraw/zinc/26/81/73/301268173.db2.gz ZLMLHNYYLGMOTO-ZDUSSCGKSA-N 1 0 307.398 1.779 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(N2CCC([N@H+]3CCO[C@@H](C)C3)CC2)n1 ZINC000370654373 301376411 /nfs/dbraw/zinc/37/64/11/301376411.db2.gz RYHNIAWPKBXTFQ-ZDUSSCGKSA-N 1 0 320.393 1.988 20 5 DDBDRO O=C(NC[C@@H]1CCC[C@H]1[NH+]1CCOCC1)c1ccc([N+](=O)[O-])o1 ZINC000370759172 301386702 /nfs/dbraw/zinc/38/67/02/301386702.db2.gz MGZRZMIQMHCJHH-NWDGAFQWSA-N 1 0 323.349 1.419 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000228155293 302045158 /nfs/dbraw/zinc/04/51/58/302045158.db2.gz UFKIHUNXBAAQRG-WDEREUQCSA-N 1 0 313.379 1.261 20 5 DDBDRO C[C@@H]1C[C@@H](C)N(C(=O)Cc2cccc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000397253179 302352761 /nfs/dbraw/zinc/35/27/61/302352761.db2.gz QBXNSBQWOKDVND-YRGRVCCFSA-N 1 0 305.378 1.969 20 5 DDBDRO C[C@@H]1C[C@@H](C)N(C(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@H]1C[NH3+] ZINC000397228018 302352976 /nfs/dbraw/zinc/35/29/76/302352976.db2.gz DBIZOTNXYXJCCR-YRGRVCCFSA-N 1 0 305.378 1.969 20 5 DDBDRO Cn1nc([N+](=O)[O-])cc1C(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000356450918 306852046 /nfs/dbraw/zinc/85/20/46/306852046.db2.gz CJGFPNBNTZMMCL-UHFFFAOYSA-N 1 0 323.397 1.522 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCS(=O)(=O)N(C)C ZINC000515925424 302782329 /nfs/dbraw/zinc/78/23/29/302782329.db2.gz VBRUIJANBLVJMJ-NSHDSACASA-N 1 0 315.395 1.445 20 5 DDBDRO COc1cc(CCNC(=O)[C@H]2C[C@@H]([NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000519652224 302847490 /nfs/dbraw/zinc/84/74/90/302847490.db2.gz KKIGFFDUZXFZMV-PHIMTYICSA-N 1 0 323.349 1.008 20 5 DDBDRO Cn1ccnc1[C@H](NCC1([NH3+])CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000423341951 303003678 /nfs/dbraw/zinc/00/36/78/303003678.db2.gz YIVOKOKZUPSXDY-CQSZACIVSA-N 1 0 315.377 1.889 20 5 DDBDRO CCC[N@H+](CC)CCNC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000531310881 303239439 /nfs/dbraw/zinc/23/94/39/303239439.db2.gz PTRSZLBNUAAEDT-UHFFFAOYSA-N 1 0 323.393 1.994 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000532873514 303300287 /nfs/dbraw/zinc/30/02/87/303300287.db2.gz PCRBDDJMHNKITI-AAEUAGOBSA-N 1 0 306.366 1.490 20 5 DDBDRO [NH3+]CC1CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000261745015 303371607 /nfs/dbraw/zinc/37/16/07/303371607.db2.gz SMZSYMGKAIBRSK-UHFFFAOYSA-N 1 0 317.342 1.093 20 5 DDBDRO C[NH+](C)CCc1ccccc1NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000559040600 303787074 /nfs/dbraw/zinc/78/70/74/303787074.db2.gz KIZLTLDWFVNBMH-UHFFFAOYSA-N 1 0 303.322 1.674 20 5 DDBDRO Cc1c(CNC(=O)NC2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000358274156 306937481 /nfs/dbraw/zinc/93/74/81/306937481.db2.gz KEVOOVIGKKIHBT-UHFFFAOYSA-N 1 0 306.366 1.797 20 5 DDBDRO O=[N+]([O-])c1ccc(F)cc1CN1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000363526832 307030399 /nfs/dbraw/zinc/03/03/99/307030399.db2.gz HAKGWFHOFFCJFV-JKSUJKDBSA-N 1 0 323.368 1.765 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)n1 ZINC000363779154 307035679 /nfs/dbraw/zinc/03/56/79/307035679.db2.gz CGYYRDNVFCJRSR-CYBMUJFWSA-N 1 0 319.409 1.879 20 5 DDBDRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@H]2C[C@@H]2[N+](=O)[O-])CC1 ZINC000364755328 307050470 /nfs/dbraw/zinc/05/04/70/307050470.db2.gz PSKYWIGMEZPYDL-KCXAZCMYSA-N 1 0 317.389 1.993 20 5 DDBDRO Nc1ccc(C(=O)N2CCC[C@@H]3C[NH2+]CCC[C@@H]32)cc1[N+](=O)[O-] ZINC000366448157 307074181 /nfs/dbraw/zinc/07/41/81/307074181.db2.gz MDRXEPYEDUJOLY-OCCSQVGLSA-N 1 0 318.377 1.781 20 5 DDBDRO [NH3+][C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000368794681 307109882 /nfs/dbraw/zinc/10/98/82/307109882.db2.gz CBKJBIVBVJQCMD-CLLJXQQHSA-N 1 0 319.361 1.844 20 5 DDBDRO Cc1cnn(C2CC[NH+](CCn3cc([N+](=O)[O-])cn3)CC2)c1 ZINC000371842729 307158812 /nfs/dbraw/zinc/15/88/12/307158812.db2.gz LOSCDOHAPVRXDB-UHFFFAOYSA-N 1 0 304.354 1.633 20 5 DDBDRO C[C@]1(CNC(=O)[C@H]2C[C@@H]2[N+](=O)[O-])CCC[N@@H+]1Cc1ccccc1 ZINC000373608739 307192091 /nfs/dbraw/zinc/19/20/91/307192091.db2.gz DTVBFYPHPNCEIB-YQQAZPJKSA-N 1 0 317.389 1.823 20 5 DDBDRO O=C(/C=C\c1cccc([N+](=O)[O-])c1)NC[C@H]1C[NH2+]CCCO1 ZINC000390176671 307293617 /nfs/dbraw/zinc/29/36/17/307293617.db2.gz QTQQLPGZFDMILS-GEXIGZQTSA-N 1 0 305.334 1.103 20 5 DDBDRO C[C@@H]1CC[C@H](O)C[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000421021459 307300781 /nfs/dbraw/zinc/30/07/81/307300781.db2.gz OBYSYWSVYKWLTO-FRRDWIJNSA-N 1 0 310.350 1.180 20 5 DDBDRO COc1ccc(OCC[NH2+][C@@H]2C[C@H](O)C2(C)C)c([N+](=O)[O-])c1 ZINC000515495041 307405453 /nfs/dbraw/zinc/40/54/53/307405453.db2.gz CSSQZVSVGCQBIE-KGLIPLIRSA-N 1 0 310.350 1.731 20 5 DDBDRO COc1ccc(OCC[NH2+][C@H]2C[C@H](O)C2(C)C)c([N+](=O)[O-])c1 ZINC000515495039 307405463 /nfs/dbraw/zinc/40/54/63/307405463.db2.gz CSSQZVSVGCQBIE-KBPBESRZSA-N 1 0 310.350 1.731 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2CC[C@@H]3CCC[C@@H]3C2)c1 ZINC000569214472 308136988 /nfs/dbraw/zinc/13/69/88/308136988.db2.gz SPKQXLIHWALLNM-KYEXWDHISA-N 1 0 308.382 1.711 20 5 DDBDRO COCC1(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCC1 ZINC000573976489 308257931 /nfs/dbraw/zinc/25/79/31/308257931.db2.gz LEVOACPAUJDZDR-UHFFFAOYSA-N 1 0 320.393 1.929 20 5 DDBDRO CC[C@@](C)(C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])OC ZINC000576150640 308292509 /nfs/dbraw/zinc/29/25/09/308292509.db2.gz WIKJJVHAMHLPCS-WFASDCNBSA-N 1 0 312.366 1.739 20 5 DDBDRO C[C@H](C[C@H](C)O)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000576992238 308354761 /nfs/dbraw/zinc/35/47/61/308354761.db2.gz HNBQUBUWMUBQSS-MNOVXSKESA-N 1 0 316.379 1.118 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC(CC[NH3+])CC2)c1 ZINC000578783070 308485560 /nfs/dbraw/zinc/48/55/60/308485560.db2.gz MOTUPKGWJXNEHD-UHFFFAOYSA-N 1 0 307.350 1.804 20 5 DDBDRO Cc1ccncc1C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000578859333 308489843 /nfs/dbraw/zinc/48/98/43/308489843.db2.gz NRYZCWYLVWEYHE-HNNXBMFYSA-N 1 0 317.345 1.828 20 5 DDBDRO [NH3+]C1(c2noc(-c3cc([N+](=O)[O-])cc4c3OCCO4)n2)CCC1 ZINC000579956869 308569660 /nfs/dbraw/zinc/56/96/60/308569660.db2.gz UIVAFGHZVIYHBU-UHFFFAOYSA-N 1 0 318.289 1.754 20 5 DDBDRO CS(=O)(=O)c1cccc(N[C@H]2CC[C@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC000382462643 325745007 /nfs/dbraw/zinc/74/50/07/325745007.db2.gz XJCVCFJPPZERNJ-UWVGGRQHSA-N 1 0 313.379 1.538 20 5 DDBDRO CC1(C)[C@H](O)C[C@H]1[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000582189287 325987212 /nfs/dbraw/zinc/98/72/12/325987212.db2.gz LPPQYHQVQZUOND-CHWSQXEVSA-N 1 0 307.350 1.672 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]Cc2ccccc2Cl)c1 ZINC000037876720 337368550 /nfs/dbraw/zinc/36/85/50/337368550.db2.gz WGLFVCSUQACOPA-GFCCVEGCSA-N 1 0 310.741 1.595 20 5 DDBDRO C[C@H](CCC[NH3+])NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000295313020 533867916 /nfs/dbraw/zinc/86/79/16/533867916.db2.gz WDUKCNWVCAVBEX-LLVKDONJSA-N 1 0 317.349 1.638 20 5 DDBDRO COc1cc(C[NH2+]C[C@@H]2CCN(C)C(=O)C2)c([N+](=O)[O-])cc1O ZINC000424182869 533879998 /nfs/dbraw/zinc/87/99/98/533879998.db2.gz ALVWHQCDFXCTCU-SNVBAGLBSA-N 1 0 323.349 1.267 20 5 DDBDRO COc1cc(C[NH2+]C[C@@H]2CCCC(=O)N2)c([N+](=O)[O-])cc1O ZINC000433203785 533881005 /nfs/dbraw/zinc/88/10/05/533881005.db2.gz YSWGQYJOZKKHCS-JTQLQIEISA-N 1 0 309.322 1.067 20 5 DDBDRO C[C@@H]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)C[C@@H]1C[NH3+] ZINC000424026816 534002606 /nfs/dbraw/zinc/00/26/06/534002606.db2.gz XTHIVTDVZYDOIL-BDAKNGLRSA-N 1 0 310.329 1.373 20 5 DDBDRO COc1ccc(NC(=O)N2C[C@H](C)[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC000415447888 534115715 /nfs/dbraw/zinc/11/57/15/534115715.db2.gz URDQMEWZWQIGLN-VHSXEESVSA-N 1 0 308.338 1.818 20 5 DDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1(N2CCOCC2)CC1 ZINC000449284697 534254346 /nfs/dbraw/zinc/25/43/46/534254346.db2.gz PJYVOOYFEHFTQG-AWEZNQCLSA-N 1 0 319.405 1.980 20 5 DDBDRO C[C@@H]1C[NH+](CCCCNc2c([N+](=O)[O-])ncn2C)C[C@@H](C)O1 ZINC000443951544 534462078 /nfs/dbraw/zinc/46/20/78/534462078.db2.gz KETYGTSUHUEGKC-VXGBXAGGSA-N 1 0 311.386 1.630 20 5 DDBDRO Cn1c(C(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)ccc1[N+](=O)[O-] ZINC000424043096 534677844 /nfs/dbraw/zinc/67/78/44/534677844.db2.gz QMAZOSBRFRIGSV-CQSZACIVSA-N 1 0 320.393 1.784 20 5 DDBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000330922067 527806465 /nfs/dbraw/zinc/80/64/65/527806465.db2.gz AYAHLIBBVRQIFP-LBPRGKRZSA-N 1 0 323.397 1.327 20 5 DDBDRO CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000422795717 527895503 /nfs/dbraw/zinc/89/55/03/527895503.db2.gz WJFMQIBSNFUSBB-GXTWGEPZSA-N 1 0 307.350 1.021 20 5 DDBDRO CC[NH+](CC)C[C@H](C)Nc1nc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000336860030 535592229 /nfs/dbraw/zinc/59/22/29/535592229.db2.gz MXNKQWRNDXQXMS-JTQLQIEISA-N 1 0 310.354 1.919 20 5 DDBDRO Cn1cc(C[N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)cn1 ZINC000026256871 536307321 /nfs/dbraw/zinc/30/73/21/536307321.db2.gz AWEFEQJUINBCJZ-UHFFFAOYSA-N 1 0 317.349 1.789 20 5 DDBDRO Cn1cc(C[N@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])cn1 ZINC000026256859 536307776 /nfs/dbraw/zinc/30/77/76/536307776.db2.gz MCHXDGASITYSET-UHFFFAOYSA-N 1 0 317.349 1.789 20 5 DDBDRO COCCCOC1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000174873439 536600078 /nfs/dbraw/zinc/60/00/78/536600078.db2.gz UYSKKLPVHQCTBI-UHFFFAOYSA-N 1 0 312.370 1.309 20 5 DDBDRO CNC(=O)[C@]1(C)CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000797525084 700013217 /nfs/dbraw/zinc/01/32/17/700013217.db2.gz AKODOWSXMQAENN-DZGCQCFKSA-N 1 0 307.350 1.086 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCC(C)(C)C[NH+](C)C ZINC000070671128 696388316 /nfs/dbraw/zinc/38/83/16/696388316.db2.gz FEEWPGPDXBGBHL-UHFFFAOYSA-N 1 0 322.409 1.978 20 5 DDBDRO CCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000126843936 696765892 /nfs/dbraw/zinc/76/58/92/696765892.db2.gz VDYOKKXAUJXEGP-SECBINFHSA-N 1 0 317.342 1.106 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CCSCCCO)cc1 ZINC000230788622 697784709 /nfs/dbraw/zinc/78/47/09/697784709.db2.gz JNRDMOAKKVCVBS-CYBMUJFWSA-N 1 0 300.380 1.333 20 5 DDBDRO CC1(C)CN(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000778307281 698259705 /nfs/dbraw/zinc/25/97/05/698259705.db2.gz PSMCCRAKJRFQSJ-UHFFFAOYSA-N 1 0 313.304 1.897 20 5 DDBDRO C[NH2+]CCOCCNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000705982076 699243101 /nfs/dbraw/zinc/24/31/01/699243101.db2.gz YCIIMYYXFVTWEL-UHFFFAOYSA-N 1 0 301.730 1.214 20 5 DDBDRO CCn1cnnc1CC[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788641831 699329592 /nfs/dbraw/zinc/32/95/92/699329592.db2.gz FLFINZJLRBAQIT-SNVBAGLBSA-N 1 0 304.354 1.682 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)CNc3ccccc3[N+](=O)[O-])C[C@@H]2C1 ZINC000793934059 699787933 /nfs/dbraw/zinc/78/79/33/699787933.db2.gz WPBVHJPEZPHEFG-OLZOCXBDSA-N 1 0 318.377 1.417 20 5 DDBDRO CN(C[C@H]1CCOC1)Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000794633936 699820153 /nfs/dbraw/zinc/82/01/53/699820153.db2.gz XDTSYDQGGBJXPE-SNVBAGLBSA-N 1 0 307.306 1.429 20 5 DDBDRO C[C@@H]1OCC[C@H]1[N@H+](CCO)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000796578718 699940154 /nfs/dbraw/zinc/94/01/54/699940154.db2.gz JXQYSNFJMUYYFS-GLQYFDAESA-N 1 0 310.350 1.100 20 5 DDBDRO C[NH+](C)CCN(CCc1ccccc1)c1ncc([N+](=O)[O-])cn1 ZINC000760562833 700814404 /nfs/dbraw/zinc/81/44/04/700814404.db2.gz WCRNIWWFKCFCPT-UHFFFAOYSA-N 1 0 315.377 1.996 20 5 DDBDRO O=C1N[C@H]2C[N@H+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)CC[C@@H]2CO1 ZINC000830917411 706602289 /nfs/dbraw/zinc/60/22/89/706602289.db2.gz XVJIOYUVBHCPAF-XBFCOCLRSA-N 1 0 321.333 1.059 20 5 DDBDRO Nc1ccc(C(=O)O[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000810850733 701862368 /nfs/dbraw/zinc/86/23/68/701862368.db2.gz NXBIWAGIPBWRCM-VXGBXAGGSA-N 1 0 305.334 1.961 20 5 DDBDRO Cc1ccc(CNC(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)cc1[N+](=O)[O-] ZINC000867996229 701880031 /nfs/dbraw/zinc/88/00/31/701880031.db2.gz UVGWOYZZFYIFNF-XJKSGUPXSA-N 1 0 303.362 1.909 20 5 DDBDRO C[C@@H]([NH2+]CCOC[C@@H]1CCOC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815578007 701899151 /nfs/dbraw/zinc/89/91/51/701899151.db2.gz FKOFNOHCMDYKOI-VXGBXAGGSA-N 1 0 309.366 1.881 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(c3nc4sccn4c3[N+](=O)[O-])CC[C@H]21 ZINC000866207483 706648980 /nfs/dbraw/zinc/64/89/80/706648980.db2.gz PMBFWAWYQMDZMM-NXEZZACHSA-N 1 0 307.379 1.834 20 5 DDBDRO CNC(=O)[C@H]1CC[N@H+](Cn2nc(C)c3cc([N+](=O)[O-])ccc32)C1 ZINC000817369798 702356643 /nfs/dbraw/zinc/35/66/43/702356643.db2.gz CKVRLOHFHLVLCW-NSHDSACASA-N 1 0 317.349 1.278 20 5 DDBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@@H]1CCc2nnnn2CC1 ZINC000817418766 702376741 /nfs/dbraw/zinc/37/67/41/702376741.db2.gz FQLVEZWKKJBILG-LLVKDONJSA-N 1 0 322.756 1.729 20 5 DDBDRO C[C@@H]1C[C@H](C)N(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000818021687 702557184 /nfs/dbraw/zinc/55/71/84/702557184.db2.gz FLJQNSJHQTYGAD-SCVCMEIPSA-N 1 0 306.366 1.622 20 5 DDBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N1CCC[NH2+]CC1 ZINC000841854931 702588700 /nfs/dbraw/zinc/58/87/00/702588700.db2.gz GTLYNXSITPLSHC-UHFFFAOYSA-N 1 0 312.757 1.753 20 5 DDBDRO CC1(C)C[NH2+][C@@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000818476077 702652298 /nfs/dbraw/zinc/65/22/98/702652298.db2.gz FVQWSAMFEXRWCZ-CQSZACIVSA-N 1 0 318.377 1.241 20 5 DDBDRO C[NH2+]CCN(C)S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000842825043 702780414 /nfs/dbraw/zinc/78/04/14/702780414.db2.gz IHUYPDWQIYTBKI-UHFFFAOYSA-N 1 0 321.786 1.397 20 5 DDBDRO CC[C@H]([NH3+])CNS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C ZINC000842888135 702787649 /nfs/dbraw/zinc/78/76/49/702787649.db2.gz OVDOVPBNMAMXNH-QMMMGPOBSA-N 1 0 321.786 1.572 20 5 DDBDRO CSC[C@@H](CCO)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000843082138 702815503 /nfs/dbraw/zinc/81/55/03/702815503.db2.gz AMOMPPLTPZAVAU-YPMHNXCESA-N 1 0 300.380 1.332 20 5 DDBDRO C[NH2+]C[C@@H](C)c1nc(CCNc2ccccc2[N+](=O)[O-])no1 ZINC000843184700 702835850 /nfs/dbraw/zinc/83/58/50/702835850.db2.gz HSZDERDLQKCLCS-SNVBAGLBSA-N 1 0 305.338 1.955 20 5 DDBDRO C[C@H]([NH2+]C[C@@H]1CC(=O)N(C2CC2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000846206654 703250874 /nfs/dbraw/zinc/25/08/74/703250874.db2.gz RTDWELPSLZJXEF-QWRGUYRKSA-N 1 0 318.377 1.839 20 5 DDBDRO CCN1C[C@@H](C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1=O ZINC000846210585 703251227 /nfs/dbraw/zinc/25/12/27/703251227.db2.gz ZILPNMVLRJLBNA-GHMZBOCLSA-N 1 0 306.366 1.696 20 5 DDBDRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000847184399 703385951 /nfs/dbraw/zinc/38/59/51/703385951.db2.gz ZMFPCTFISXEUPE-JGZJWPJOSA-N 1 0 322.321 1.573 20 5 DDBDRO Nc1ccc(C(=O)N2CCC3(CC[NH2+]CC3)CC2)cc1[N+](=O)[O-] ZINC000831616905 706739809 /nfs/dbraw/zinc/73/98/09/706739809.db2.gz WXFNCAHZEHJCRJ-UHFFFAOYSA-N 1 0 318.377 1.783 20 5 DDBDRO CNc1nccc(C(=O)NCC[N@@H+]2CCC[C@@H]2C)c1[N+](=O)[O-] ZINC000848373716 703544528 /nfs/dbraw/zinc/54/45/28/703544528.db2.gz JJYRKYYHQIJQRT-JTQLQIEISA-N 1 0 307.354 1.246 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CCO[C@@H]2CC2(F)F)cc1 ZINC000849326063 703635612 /nfs/dbraw/zinc/63/56/12/703635612.db2.gz BLVAWKPKDFKJSQ-VXGBXAGGSA-N 1 0 302.277 1.642 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H](O)c1cnn(C)c1 ZINC000850438082 703731183 /nfs/dbraw/zinc/73/11/83/703731183.db2.gz SMQKRVHHXJMUOR-IINYFYTJSA-N 1 0 320.349 1.721 20 5 DDBDRO CCOc1cc(C[N@@H+]2C[C@H](CO)[C@H](CO)C2)ccc1[N+](=O)[O-] ZINC000879695739 706763457 /nfs/dbraw/zinc/76/34/57/706763457.db2.gz OKIPPFQLLIXTDP-BETUJISGSA-N 1 0 310.350 1.026 20 5 DDBDRO CCO[C@@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1)C[NH+](C)C ZINC000831750869 706770770 /nfs/dbraw/zinc/77/07/70/706770770.db2.gz AESWCEHNHQKOTJ-ZDUSSCGKSA-N 1 0 313.329 1.430 20 5 DDBDRO C[NH+]1CCC2(CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)CC2)CC1 ZINC000870508856 704065052 /nfs/dbraw/zinc/06/50/52/704065052.db2.gz YIHMWRSYKCQYMT-UHFFFAOYSA-N 1 0 321.381 1.126 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CCOC[C@H]2CCCO2)cc1 ZINC000819073509 704065494 /nfs/dbraw/zinc/06/54/94/704065494.db2.gz NGDYCEGKQPXTSD-HUUCEWRRSA-N 1 0 310.350 1.413 20 5 DDBDRO COC(=O)N(C)CC[N@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000852569052 704076958 /nfs/dbraw/zinc/07/69/58/704076958.db2.gz AKKSLMLRDSBZES-CYBMUJFWSA-N 1 0 311.338 1.258 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@H]2CCc3n[nH]cc3C2)c1 ZINC000819169611 704080409 /nfs/dbraw/zinc/08/04/09/704080409.db2.gz NICZOIJKJJZWJR-WFASDCNBSA-N 1 0 302.334 1.498 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CC2(N3CCOCC3)CC2)c1 ZINC000819264856 704096916 /nfs/dbraw/zinc/09/69/16/704096916.db2.gz HIVQXOHKIAESRJ-OAHLLOKOSA-N 1 0 321.377 1.083 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H]2CCc3nc[nH]c3C2)cc1 ZINC000819321832 704107201 /nfs/dbraw/zinc/10/72/01/704107201.db2.gz OGRPXRRHNZKITM-IAQYHMDHSA-N 1 0 302.334 1.498 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CC2(CF)CCOCC2)c1 ZINC000819348634 704111462 /nfs/dbraw/zinc/11/14/62/704111462.db2.gz PWJLEOYABUPTGW-CQSZACIVSA-N 1 0 312.341 1.984 20 5 DDBDRO [NH3+]C1(CNC(=O)COc2ccc([N+](=O)[O-])c(F)c2)CCCC1 ZINC000852905883 704168993 /nfs/dbraw/zinc/16/89/93/704168993.db2.gz GUXIZIOKRSUKEM-UHFFFAOYSA-N 1 0 311.313 1.500 20 5 DDBDRO CN(CC1C[NH+](C)C1)Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853555609 704267906 /nfs/dbraw/zinc/26/79/06/704267906.db2.gz ZJECSXWDMVNDQQ-UHFFFAOYSA-N 1 0 316.365 1.304 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c(F)c1 ZINC000853966107 704341611 /nfs/dbraw/zinc/34/16/11/704341611.db2.gz OSYGOKOHBUXAAJ-CYBMUJFWSA-N 1 0 309.341 1.769 20 5 DDBDRO C[NH+](C)CCC[C@@H]1CN(C(=O)CCC(C)(C)[N+](=O)[O-])CCO1 ZINC000856429435 704528507 /nfs/dbraw/zinc/52/85/07/704528507.db2.gz GKSWENSMKZGVMG-CYBMUJFWSA-N 1 0 315.414 1.391 20 5 DDBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857767718 704622696 /nfs/dbraw/zinc/62/26/96/704622696.db2.gz GTEFLOAFKUIWDX-BDAKNGLRSA-N 1 0 317.292 1.808 20 5 DDBDRO CC(=O)NC[C@H]1CCCC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000860176994 705123859 /nfs/dbraw/zinc/12/38/59/705123859.db2.gz LFPMQRHCWIYUGN-HZPDHXFCSA-N 1 0 321.377 1.619 20 5 DDBDRO C[NH+](C)C1(CNC(=O)Cc2cccc(F)c2[N+](=O)[O-])CCC1 ZINC000867658748 707065488 /nfs/dbraw/zinc/06/54/88/707065488.db2.gz QZYBUUWBOBJTPL-UHFFFAOYSA-N 1 0 309.341 1.877 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3C)n1 ZINC000874827017 705184920 /nfs/dbraw/zinc/18/49/20/705184920.db2.gz AGNBGIWHFWJHRN-WDEREUQCSA-N 1 0 307.354 1.120 20 5 DDBDRO CCN(C(=O)c1ccnc(NC)c1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000861890292 705595988 /nfs/dbraw/zinc/59/59/88/705595988.db2.gz GCTVFYGRIOETDR-UHFFFAOYSA-N 1 0 321.381 1.588 20 5 DDBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000826643329 705832869 /nfs/dbraw/zinc/83/28/69/705832869.db2.gz MIJIYVUCQQIIHB-HUUCEWRRSA-N 1 0 321.377 1.571 20 5 DDBDRO CN(C)[C@@H](C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)c1ccco1 ZINC000876890474 705911254 /nfs/dbraw/zinc/91/12/54/705911254.db2.gz ABPCAVZOJJLAKM-YIZWMMSDSA-N 1 0 319.365 1.980 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000827297892 705970539 /nfs/dbraw/zinc/97/05/39/705970539.db2.gz HNVKQNOYTMYAAQ-WDEREUQCSA-N 1 0 321.381 1.608 20 5 DDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]CCOC[C@H]3CCCO3)C2)c1 ZINC000877045254 705970745 /nfs/dbraw/zinc/97/07/45/705970745.db2.gz UABYHWUSRVSDJS-ORHYLEIMSA-N 1 0 310.354 1.280 20 5 DDBDRO C[N@@H+]1CC[C@H]2CN(C(=O)c3ccc(F)cc3[N+](=O)[O-])CC[C@H]21 ZINC000827300687 705971821 /nfs/dbraw/zinc/97/18/21/705971821.db2.gz NCAPKWQUKMILIL-GXFFZTMASA-N 1 0 307.325 1.900 20 5 DDBDRO C[N@@H+]1CC[C@H]2CN(C(=O)c3cc(F)ccc3[N+](=O)[O-])CC[C@@H]21 ZINC000827331137 705977463 /nfs/dbraw/zinc/97/74/63/705977463.db2.gz WSHUUTLNZSDACW-GWCFXTLKSA-N 1 0 307.325 1.900 20 5 DDBDRO C[C@@H](CC[S@@](C)=O)[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877088121 705979757 /nfs/dbraw/zinc/97/97/57/705979757.db2.gz BJKVUFLXRTULIC-OUGCJMNSSA-N 1 0 300.384 1.242 20 5 DDBDRO C[N@@H+]1CC[C@H]2CN(C(=O)Cc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000827373156 705988222 /nfs/dbraw/zinc/98/82/22/705988222.db2.gz GWWIERAYORVNBO-DZGCQCFKSA-N 1 0 303.362 1.690 20 5 DDBDRO CC1(C)COCCN1CC[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877148422 705997598 /nfs/dbraw/zinc/99/75/98/705997598.db2.gz KDRMATNGAVULRU-UHFFFAOYSA-N 1 0 323.397 1.195 20 5 DDBDRO O=C(NCC[N@H+]1CC[C@H](O)C1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000863833112 706024766 /nfs/dbraw/zinc/02/47/66/706024766.db2.gz JMLCEEONKNTJDG-JTQLQIEISA-N 1 0 313.741 1.045 20 5 DDBDRO Cc1nn(CCC(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)c(C)c1[N+](=O)[O-] ZINC000877281960 706047372 /nfs/dbraw/zinc/04/73/72/706047372.db2.gz ORSURGGAMQGQOH-OLZOCXBDSA-N 1 0 321.381 1.151 20 5 DDBDRO CCO[C@@H]1COCC[C@@H]1[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877344986 706073369 /nfs/dbraw/zinc/07/33/69/706073369.db2.gz SRUQEPWLEGRFJT-DZYMPVBWSA-N 1 0 310.354 1.278 20 5 DDBDRO COC(=O)Cc1ccc(N(C)CCC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000827866094 706078856 /nfs/dbraw/zinc/07/88/56/706078856.db2.gz FDSJLMYHFRPBJF-UHFFFAOYSA-N 1 0 309.366 1.698 20 5 DDBDRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)COc1ccc([N+](=O)[O-])c(F)c1)C2 ZINC000877375586 706085816 /nfs/dbraw/zinc/08/58/16/706085816.db2.gz AQYCQFGKNPHSLW-ZUZCIYMTSA-N 1 0 323.324 1.181 20 5 DDBDRO COC(=O)C(C)(C)CC[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877515783 706129546 /nfs/dbraw/zinc/12/95/46/706129546.db2.gz PBZSWOQTUUFNNL-UHFFFAOYSA-N 1 0 310.354 1.674 20 5 DDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@H]([C@@H](CO)C3CC3)C3CC3)C2)c1 ZINC000877566843 706144235 /nfs/dbraw/zinc/14/42/35/706144235.db2.gz RDZPTMTVXGEQFK-BGHVQYPCSA-N 1 0 320.393 1.882 20 5 DDBDRO Cc1c(C[NH+]2CCC(c3nnnn3C)CC2)cccc1[N+](=O)[O-] ZINC000877778733 706207742 /nfs/dbraw/zinc/20/77/42/706207742.db2.gz AXODRUODDAZHDQ-UHFFFAOYSA-N 1 0 316.365 1.806 20 5 DDBDRO CC(C)[N@@H+]1CCC[C@H](NC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000829539157 706352949 /nfs/dbraw/zinc/35/29/49/706352949.db2.gz MXOCGPIHAFEPJC-ZFWWWQNUSA-N 1 0 321.377 1.617 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H](C2(C)OCCO2)C1 ZINC000878406887 706379397 /nfs/dbraw/zinc/37/93/97/706379397.db2.gz FWJCGXXYZJUEEL-CYBMUJFWSA-N 1 0 324.381 1.575 20 5 DDBDRO [NH3+][C@@H](CC(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)C1CC1 ZINC000829937584 706421783 /nfs/dbraw/zinc/42/17/83/706421783.db2.gz MTCZIXARNZVOAP-AAEUAGOBSA-N 1 0 319.365 1.130 20 5 DDBDRO C[C@@H]([NH2+]C[C@@H](O)COC[C@@H]1CCCO1)c1ccccc1[N+](=O)[O-] ZINC000880095339 706877353 /nfs/dbraw/zinc/87/73/53/706877353.db2.gz XWIDHAGSALNVLJ-MCIONIFRSA-N 1 0 324.377 1.802 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC[C@H]1CNC(=O)C1 ZINC000926981739 712926591 /nfs/dbraw/zinc/92/65/91/712926591.db2.gz VKNSBDMXGQFSHG-GHMZBOCLSA-N 1 0 307.350 1.780 20 5 DDBDRO Cn1nnc2c1C[C@H]([NH2+][C@@H]1CCc3c1cccc3[N+](=O)[O-])CC2 ZINC000927140099 712946456 /nfs/dbraw/zinc/94/64/56/712946456.db2.gz CHBLYBQIPJUPQJ-ZWNOBZJWSA-N 1 0 313.361 1.858 20 5 DDBDRO CS[C@H]1CN(c2ccnc(F)c2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000882136749 707512996 /nfs/dbraw/zinc/51/29/96/707512996.db2.gz QOERRLPLMYCSDX-UWVGGRQHSA-N 1 0 300.359 1.611 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000873299171 707803518 /nfs/dbraw/zinc/80/35/18/707803518.db2.gz VGOCEUWWEZWEKF-XHDPSFHLSA-N 1 0 304.350 1.976 20 5 DDBDRO C[N@H+](CCNc1ccc(Cl)cc1[N+](=O)[O-])CCOCCO ZINC000882951622 707867432 /nfs/dbraw/zinc/86/74/32/707867432.db2.gz NKTSNCOBCLYMDV-UHFFFAOYSA-N 1 0 317.773 1.601 20 5 DDBDRO CCN1CC[C@@H]1C[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000883354141 707982995 /nfs/dbraw/zinc/98/29/95/707982995.db2.gz MMGIALUYZKCRCP-SWLSCSKDSA-N 1 0 320.393 1.996 20 5 DDBDRO COCCC[N@H+](C)CCNC(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000896670576 708113686 /nfs/dbraw/zinc/11/36/86/708113686.db2.gz PBJISKWMSXTTRS-UHFFFAOYSA-N 1 0 323.393 1.910 20 5 DDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000897218461 708256435 /nfs/dbraw/zinc/25/64/35/708256435.db2.gz CUFOEWYKWTUBCP-STQMWFEESA-N 1 0 323.397 1.155 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)c1 ZINC000897218132 708256674 /nfs/dbraw/zinc/25/66/74/708256674.db2.gz BCLCBHKBTOAKAM-UONOGXRCSA-N 1 0 321.377 1.639 20 5 DDBDRO C[N@H+](CCO)CCNc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000884823974 708387679 /nfs/dbraw/zinc/38/76/79/708387679.db2.gz MJSLWMFMSMGQLP-UHFFFAOYSA-N 1 0 307.272 1.950 20 5 DDBDRO C[C@H](NC(=O)C1C[NH+]([C@@H]2CCOC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000897868009 708475210 /nfs/dbraw/zinc/47/52/10/708475210.db2.gz COEPJSTZROCZCN-XHDPSFHLSA-N 1 0 319.361 1.493 20 5 DDBDRO O=C1C[C@H]([C@@H]2CCCC[N@H+]2Cc2cccnc2[N+](=O)[O-])CN1 ZINC000886098679 708697968 /nfs/dbraw/zinc/69/79/68/708697968.db2.gz PKHFKEMSRIYGQE-STQMWFEESA-N 1 0 304.350 1.480 20 5 DDBDRO C[C@](O)(C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)C(F)F ZINC000886174916 708710227 /nfs/dbraw/zinc/71/02/27/708710227.db2.gz MEUBHUJDMBIOKN-LBPRGKRZSA-N 1 0 304.297 1.444 20 5 DDBDRO CCN(CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000886858378 708867148 /nfs/dbraw/zinc/86/71/48/708867148.db2.gz YOWZGTVVTOJCLD-NSHDSACASA-N 1 0 322.365 1.226 20 5 DDBDRO C[C@H]1CN(c2cc[nH+]cc2)CCN1CCn1ccc([N+](=O)[O-])n1 ZINC000887132943 708966801 /nfs/dbraw/zinc/96/68/01/708966801.db2.gz QKDXHCCECYBBLD-ZDUSSCGKSA-N 1 0 316.365 1.397 20 5 DDBDRO O=c1c2cc([N+](=O)[O-])ccc2ncn1C[C@H]1CCCC[NH2+]C1 ZINC000899624316 709129076 /nfs/dbraw/zinc/12/90/76/709129076.db2.gz POVSROIYHKCNJX-NSHDSACASA-N 1 0 302.334 1.694 20 5 DDBDRO Cc1cc(C(=O)N2CC[C@@H]([NH+]3CCC3)C2)c(N)c([N+](=O)[O-])c1 ZINC000912915236 713122481 /nfs/dbraw/zinc/12/24/81/713122481.db2.gz KMDBRJMRSMYFMK-LLVKDONJSA-N 1 0 304.350 1.406 20 5 DDBDRO CC[N@@H+]1CCCN(C(=O)c2ccnc(NC)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000910273649 709857216 /nfs/dbraw/zinc/85/72/16/709857216.db2.gz KBFMWMNHJHPGRK-NSHDSACASA-N 1 0 321.381 1.588 20 5 DDBDRO Cc1ccc(CNC(=O)N[C@H]2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000892083992 710368562 /nfs/dbraw/zinc/36/85/62/710368562.db2.gz XZSNUVPSTGAEIB-ZDUSSCGKSA-N 1 0 306.366 1.845 20 5 DDBDRO COc1cc([N+](=O)[O-])cnc1NC[C@@]1([NH+](C)C)CCSC1 ZINC000892797560 710501553 /nfs/dbraw/zinc/50/15/53/710501553.db2.gz UITKZDKXMDRWST-ZDUSSCGKSA-N 1 0 312.395 1.848 20 5 DDBDRO CN(C(=O)NCCc1ccccc1[N+](=O)[O-])[C@@H]1CCC[N@H+](C)C1 ZINC000893264674 710582468 /nfs/dbraw/zinc/58/24/68/710582468.db2.gz GOSGQAVRVOXNNL-CQSZACIVSA-N 1 0 320.393 1.873 20 5 DDBDRO Cc1cc(OCC(=O)N[C@@H]2CC[N@H+](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000928438153 713195836 /nfs/dbraw/zinc/19/58/36/713195836.db2.gz SQQVRENQUJVQMG-WCQYABFASA-N 1 0 307.350 1.491 20 5 DDBDRO C[C@H]1C[N@H+](CCCOC(=O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000893392683 710633776 /nfs/dbraw/zinc/63/37/76/710633776.db2.gz HTXZALWVBPFFOU-LBPRGKRZSA-N 1 0 308.334 1.862 20 5 DDBDRO CCNc1ccc(C(=O)NC[C@H]2CC[N@@H+]2CC)cc1[N+](=O)[O-] ZINC000893872821 710867669 /nfs/dbraw/zinc/86/76/69/710867669.db2.gz WMJZUPMFQCTJOO-GFCCVEGCSA-N 1 0 306.366 1.851 20 5 DDBDRO C[N@@H+]1C[C@H]2CCN(c3cc4c(cc3[N+](=O)[O-])CCC(=O)N4)[C@H]2C1 ZINC000893939062 710893110 /nfs/dbraw/zinc/89/31/10/710893110.db2.gz HFDVBUMDOKJOLS-ABAIWWIYSA-N 1 0 316.361 1.620 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000894179744 711002542 /nfs/dbraw/zinc/00/25/42/711002542.db2.gz YANBDICPVNTUNK-UHFFFAOYSA-N 1 0 309.370 1.019 20 5 DDBDRO COC(=O)[C@@H]1[C@@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])C1(F)F ZINC000894187949 711006845 /nfs/dbraw/zinc/00/68/45/711006845.db2.gz PLZPLDMDQAALLC-KOLCDFICSA-N 1 0 300.261 1.739 20 5 DDBDRO C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000911866673 711040984 /nfs/dbraw/zinc/04/09/84/711040984.db2.gz AUYDOHJXGDRSGT-ZNMIVQPWSA-N 1 0 303.362 1.909 20 5 DDBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CCN(C)[C@@H]1C ZINC000903302851 711094594 /nfs/dbraw/zinc/09/45/94/711094594.db2.gz GIECIXFYBSUOHV-LALPHHSUSA-N 1 0 320.393 1.994 20 5 DDBDRO C[C@H](N[C@@H]1CC[NH2+]C12CCC2)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000903465279 711135032 /nfs/dbraw/zinc/13/50/32/711135032.db2.gz GRZLTUQKGQCLKJ-SMDDNHRTSA-N 1 0 318.377 1.796 20 5 DDBDRO CN(CC[N@H+](C)CCO)c1c2ccccc2ncc1[N+](=O)[O-] ZINC000894591712 711199048 /nfs/dbraw/zinc/19/90/48/711199048.db2.gz UNPJIFFGDJLVMM-UHFFFAOYSA-N 1 0 304.350 1.503 20 5 DDBDRO Cn1cc(CN2C[C@H](C[NH3+])Cc3cc(F)ccc32)c([N+](=O)[O-])n1 ZINC000903569937 711201482 /nfs/dbraw/zinc/20/14/82/711201482.db2.gz QAVJNJFDIYCRPH-JTQLQIEISA-N 1 0 319.340 1.605 20 5 DDBDRO C[NH+]1C[C@@]2(C)CN(c3ccc([N+](=O)[O-])c(C(N)=O)c3)C[C@]2(C)C1 ZINC000894800339 711275791 /nfs/dbraw/zinc/27/57/91/711275791.db2.gz CSBKZJGDPCOQEP-HOTGVXAUSA-N 1 0 318.377 1.472 20 5 DDBDRO C[C@H](Nc1nc2ccccn2c1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCN1C ZINC000895249674 711466040 /nfs/dbraw/zinc/46/60/40/711466040.db2.gz WOFKARMZULHBHF-RYUDHWBXSA-N 1 0 318.381 1.289 20 5 DDBDRO COc1cc([N+](=O)[O-])cnc1NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000896526577 711739143 /nfs/dbraw/zinc/73/91/43/711739143.db2.gz YZMAVFPNUNNRKB-GFCCVEGCSA-N 1 0 322.365 1.664 20 5 DDBDRO CCC[C@@H]([NH2+]CC[N+](=O)[O-])C(=O)N1CCc2sccc2C1 ZINC000905088430 711932404 /nfs/dbraw/zinc/93/24/04/711932404.db2.gz IPZBYEBYDNXDTH-GFCCVEGCSA-N 1 0 311.407 1.668 20 5 DDBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+][C@@H]1COC[C@H]1C1CC1)OCCO2 ZINC000914433376 713395231 /nfs/dbraw/zinc/39/52/31/713395231.db2.gz OKWNYJZTDFRPHZ-QWHCGFSZSA-N 1 0 320.345 1.881 20 5 DDBDRO C[C@@H]1[C@@H](NC(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000917789287 713514052 /nfs/dbraw/zinc/51/40/52/713514052.db2.gz MLOUYNZUJNVMGO-RISCZKNCSA-N 1 0 322.365 1.365 20 5 DDBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000931045652 713990090 /nfs/dbraw/zinc/99/00/90/713990090.db2.gz YEHBZKPAERPNBC-HZSPNIEDSA-N 1 0 323.393 1.359 20 5 DDBDRO C[C@H]1CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)Cc2c[nH]nc21 ZINC000931459851 714102726 /nfs/dbraw/zinc/10/27/26/714102726.db2.gz BEZZIGKDRYGVHU-IINYFYTJSA-N 1 0 302.334 1.971 20 5 DDBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H]2CCN2C2CCOCC2)cs1 ZINC000922950106 714195300 /nfs/dbraw/zinc/19/53/00/714195300.db2.gz CFACEEZLSAMTDE-CYBMUJFWSA-N 1 0 311.407 1.999 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)CN2CCC[C@@H]3C[NH2+]CC[C@@H]32)c1 ZINC000923413772 714347983 /nfs/dbraw/zinc/34/79/83/714347983.db2.gz GZUSNTRYHHAZFG-VNQPRFMTSA-N 1 0 305.378 1.702 20 5 DDBDRO C[C@@H]1[C@H](C)[NH2+]C[C@H](C)N1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000923446690 714358623 /nfs/dbraw/zinc/35/86/23/714358623.db2.gz YPFLZLKZKLSWJU-RWMBFGLXSA-N 1 0 320.393 1.994 20 5 DDBDRO CCOC(=O)[C@H]1CC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000932646847 714374631 /nfs/dbraw/zinc/37/46/31/714374631.db2.gz UTYMGRMWIGRXTA-GXTWGEPZSA-N 1 0 308.334 1.513 20 5 DDBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCN(C)CC[N@H+](C)CC1 ZINC000933998616 714719461 /nfs/dbraw/zinc/71/94/61/714719461.db2.gz LLKPLCJPAWZCIO-AWEZNQCLSA-N 1 0 306.410 1.835 20 5 DDBDRO C[C@]12CSC[C@H]1C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C2 ZINC000934772767 714898461 /nfs/dbraw/zinc/89/84/61/714898461.db2.gz JBQSBNQIGDZVIB-DOMZBBRYSA-N 1 0 321.402 1.879 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000935939784 715139116 /nfs/dbraw/zinc/13/91/16/715139116.db2.gz NBBFCJWIRVYNNI-YPMHNXCESA-N 1 0 321.381 1.185 20 5 DDBDRO Cc1cc(Cl)nc(N2CCN3CC[NH2+]C[C@@H]3C2)c1[N+](=O)[O-] ZINC001164391466 718832069 /nfs/dbraw/zinc/83/20/69/718832069.db2.gz KEPHDUDTEAYIEZ-SNVBAGLBSA-N 1 0 311.773 1.045 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])c(N[C@H]2CC[N@H+](C)C2)cc1OC ZINC001167278582 732888096 /nfs/dbraw/zinc/88/80/96/732888096.db2.gz NGDCRIKJFNOAOA-VIFPVBQESA-N 1 0 309.322 1.506 20 5 DDBDRO O=C(/C=C/c1ccc[nH]1)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001126239289 738745024 /nfs/dbraw/zinc/74/50/24/738745024.db2.gz WJSKAFCSZACCCL-VOTSOKGWSA-N 1 0 314.345 1.842 20 5 DDBDRO CN1Cc2cc(-n3ccc(C[NH3+])cc3=N)cc([N+](=O)[O-])c2N1 ZINC001167693551 736217138 /nfs/dbraw/zinc/21/71/38/736217138.db2.gz SZZRNGXNPHINHA-UHFFFAOYSA-N 1 0 300.322 1.096 20 5 DDBDRO COC(=O)[C@@H](CCC[NH3+])Nc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC001167896191 739198321 /nfs/dbraw/zinc/19/83/21/739198321.db2.gz PYJVWCHLZOGBCS-GFCCVEGCSA-N 1 0 322.365 1.561 20 5 DDBDRO CCOC(=O)c1cnc(NC(=N)SCC[NH3+])c([N+](=O)[O-])c1 ZINC001167909886 739303685 /nfs/dbraw/zinc/30/36/85/739303685.db2.gz LYIMLDZQNURAJP-UHFFFAOYSA-N 1 0 313.339 1.205 20 5 DDBDRO Cc1c[nH]c(C(=O)NCCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)n1 ZINC001167956703 740071486 /nfs/dbraw/zinc/07/14/86/740071486.db2.gz JCIXSDXGAMDXKF-UHFFFAOYSA-N 1 0 317.349 1.536 20 5 DDBDRO CCOC(=O)c1cnc(NC2(C)CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC001168182018 741751034 /nfs/dbraw/zinc/75/10/34/741751034.db2.gz JADGWLXTKWZUHW-UHFFFAOYSA-N 1 0 308.338 1.721 20 5 DDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC2(C[NH+](CC3CCC3)C2)CC1 ZINC001035704356 751790837 /nfs/dbraw/zinc/79/08/37/751790837.db2.gz KRQJKAJVEYURNZ-ZIAGYGMSSA-N 1 0 307.394 1.376 20 5 DDBDRO Cc1ncccc1C[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001002782134 743423729 /nfs/dbraw/zinc/42/37/29/743423729.db2.gz IMXJDDJWPSFNJV-HUUCEWRRSA-N 1 0 318.377 1.136 20 5 DDBDRO NC(=[NH2+])c1nccn1-c1nc(C2CC2)nc(Cl)c1[N+](=O)[O-] ZINC001168411729 744185809 /nfs/dbraw/zinc/18/58/09/744185809.db2.gz KOUQXLFYJHOSKD-UHFFFAOYSA-N 1 0 307.701 1.385 20 5 DDBDRO CC(C)[C@H]1C[C@@H]([NH+]2CCCC2)CN1c1ncc([N+](=O)[O-])c(N)n1 ZINC001187870378 744629687 /nfs/dbraw/zinc/62/96/87/744629687.db2.gz AOHDTDGMGCSVGW-VXGBXAGGSA-N 1 0 320.397 1.666 20 5 DDBDRO CCc1cccc(C[NH+]2CC(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c1 ZINC001031661817 747336754 /nfs/dbraw/zinc/33/67/54/747336754.db2.gz ISSOCRPNZRJOGQ-HZPDHXFCSA-N 1 0 317.389 1.462 20 5 DDBDRO O=C(CC(F)(F)F)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001124419960 748209146 /nfs/dbraw/zinc/20/91/46/748209146.db2.gz QIKPKGBRUOBXSB-UHFFFAOYSA-N 1 0 305.256 1.753 20 5 DDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([NH2+]CCCCCF)CC1 ZINC001200472919 748265580 /nfs/dbraw/zinc/26/55/80/748265580.db2.gz UQSMSBAGYUUNMZ-CHWSQXEVSA-N 1 0 301.362 1.372 20 5 DDBDRO O=c1oc2ccc(C[NH2+]CCn3cc([N+](=O)[O-])cn3)cc2o1 ZINC001201191869 748431384 /nfs/dbraw/zinc/43/13/84/748431384.db2.gz ANTQTRLBEPAMAD-UHFFFAOYSA-N 1 0 304.262 1.281 20 5 DDBDRO C[NH+](C)CCCC(=O)NC/C=C\CNc1ncccc1[N+](=O)[O-] ZINC001107473828 750007060 /nfs/dbraw/zinc/00/70/60/750007060.db2.gz GIQMAVQEAKCFLJ-ARJAWSKDSA-N 1 0 321.381 1.416 20 5 DDBDRO Cc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)on1 ZINC001034642531 750624915 /nfs/dbraw/zinc/62/49/15/750624915.db2.gz DLADSYVURBIJIT-HBJVGIJOSA-N 1 0 322.365 1.165 20 5 DDBDRO O=C(N[C@H]1CC[C@H]([NH2+]Cc2cccnc2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001034643389 750625408 /nfs/dbraw/zinc/62/54/08/750625408.db2.gz NLLYJFKQJBOUPE-KBUPBQIOSA-N 1 0 318.377 1.264 20 5 DDBDRO O=[N+]([O-])c1cncc(Cl)c1NC[C@]1(F)CCCC[NH2+]C1 ZINC001162582940 750779596 /nfs/dbraw/zinc/77/95/96/750779596.db2.gz IEHQSHKYFKAGIL-LBPRGKRZSA-N 1 0 302.737 1.959 20 5 DDBDRO Cc1ccc([C@@H](C)Nc2ncnc(C3C[NH2+]C3)c2[N+](=O)[O-])nc1 ZINC001168853269 762070424 /nfs/dbraw/zinc/07/04/24/762070424.db2.gz YLEAEIHQXGIPCX-SNVBAGLBSA-N 1 0 314.349 1.948 20 5 DDBDRO C[NH+](C)CCC(=O)N[C@H]1C[C@H](CNc2ccccc2[N+](=O)[O-])C1 ZINC001114813924 751116225 /nfs/dbraw/zinc/11/62/25/751116225.db2.gz XSFZDDQGBBKRNU-JOCQHMNTSA-N 1 0 320.393 1.853 20 5 DDBDRO Cc1cc(N(C)S(=O)(=O)CC[NH3+])nc2ccc([N+](=O)[O-])cc12 ZINC001156231450 762102664 /nfs/dbraw/zinc/10/26/64/762102664.db2.gz HBYACBSGNXXDJG-UHFFFAOYSA-N 1 0 324.362 1.176 20 5 DDBDRO COc1ccc(OC)c(C(=O)C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001168959408 762154937 /nfs/dbraw/zinc/15/49/37/762154937.db2.gz VRRYJOJCFPBUAR-NEPJUHHUSA-N 1 0 322.361 1.922 20 5 DDBDRO O=C1C=CC(=O)N1CCCCC[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168974425 762164033 /nfs/dbraw/zinc/16/40/33/762164033.db2.gz QGQPJQZYRPXDBG-OLZOCXBDSA-N 1 0 309.366 1.117 20 5 DDBDRO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169007212 762174919 /nfs/dbraw/zinc/17/49/19/762174919.db2.gz LWUCKTKQSZHBRU-BYNSBNAKSA-N 1 0 317.389 1.713 20 5 DDBDRO Cc1nc(CC[NH3+])nn1-c1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC001168986315 762179839 /nfs/dbraw/zinc/17/98/39/762179839.db2.gz YEKJYWPOLXSVIX-UHFFFAOYSA-N 1 0 302.338 1.259 20 5 DDBDRO O=C(c1ccco1)N1CCC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169037075 762192576 /nfs/dbraw/zinc/19/25/76/762192576.db2.gz IOZMOAPQUFWNIL-UONOGXRCSA-N 1 0 321.377 1.873 20 5 DDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CCC(Oc3cnccn3)CC2)C1 ZINC001169039849 762193410 /nfs/dbraw/zinc/19/34/10/762193410.db2.gz UUQDHQBTSANTLN-STQMWFEESA-N 1 0 306.366 1.765 20 5 DDBDRO CCN1CCC2(CC[NH+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)C1=O ZINC001169046357 762204206 /nfs/dbraw/zinc/20/42/06/762204206.db2.gz KYGBJOQIKMRWJD-ZIAGYGMSSA-N 1 0 309.410 1.766 20 5 DDBDRO COc1cccnc1O[C@@H]1CC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169050671 762206768 /nfs/dbraw/zinc/20/67/68/762206768.db2.gz CHCYGVHIMOSZOM-MGPQQGTHSA-N 1 0 321.377 1.989 20 5 DDBDRO CCNC(=O)COC1CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169051323 762207018 /nfs/dbraw/zinc/20/70/18/762207018.db2.gz DFKDOKMZXHCYRR-QWHCGFSZSA-N 1 0 313.398 1.049 20 5 DDBDRO [NH3+][C@@H](CO)Cc1cncn1-c1cc2cc[nH]c2c([N+](=O)[O-])c1 ZINC001169074555 762222582 /nfs/dbraw/zinc/22/25/82/762222582.db2.gz RFDHMCLIWLMEMS-SNVBAGLBSA-N 1 0 301.306 1.124 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(N[C@H]2C[C@@H](NC(=O)CC[NH+](C)C)C2)c1 ZINC001097251891 757034653 /nfs/dbraw/zinc/03/46/53/757034653.db2.gz MASVXVUSFDSQRS-BETUJISGSA-N 1 0 320.393 1.914 20 5 DDBDRO Cn1cc(-n2cc(CC[NH3+])c3ncccc32)cc([N+](=O)[O-])c1=O ZINC001169709557 762615725 /nfs/dbraw/zinc/61/57/25/762615725.db2.gz XBWISZYUXLPTCX-UHFFFAOYSA-N 1 0 313.317 1.134 20 5 DDBDRO C[C@H]1C[NH2+]CCC[C@H]1CNc1cc([N+](=O)[O-])cc(Cl)[n+]1[O-] ZINC001155029636 760313170 /nfs/dbraw/zinc/31/31/70/760313170.db2.gz HBLMYMHWGZGJHB-UWVGGRQHSA-N 1 0 314.773 1.929 20 5 DDBDRO O=C(N[C@H]1C[C@H]([NH2+]CCC2CCCCC2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001020139092 760613093 /nfs/dbraw/zinc/61/30/93/760613093.db2.gz QDVNVDLQOVONRG-KBUPBQIOSA-N 1 0 309.410 1.859 20 5 DDBDRO COc1cnc(NCc2noc3c2C[NH2+]CC3)c([N+](=O)[O-])c1 ZINC001155497415 761232441 /nfs/dbraw/zinc/23/24/41/761232441.db2.gz NVZYIKFIIWAPOY-UHFFFAOYSA-N 1 0 305.294 1.244 20 5 DDBDRO COc1ccc(C[C@H](C)n2cnc(CC[NH3+])n2)c([N+](=O)[O-])c1 ZINC001170296726 766226262 /nfs/dbraw/zinc/22/62/62/766226262.db2.gz HWVALTDIKGCMAC-JTQLQIEISA-N 1 0 305.338 1.500 20 5 DDBDRO Cc1cc(NC[C@H]2O[C@H](C(C)C)O[C@@H]2C[NH3+])ncc1[N+](=O)[O-] ZINC001170278469 766233369 /nfs/dbraw/zinc/23/33/69/766233369.db2.gz QMLOWBQZAZJQOI-YRGRVCCFSA-N 1 0 310.354 1.435 20 5 DDBDRO COc1ccc(C[C@H](C)[N@@H+]2CC[C@@H](O)[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC001170334408 766256555 /nfs/dbraw/zinc/25/65/55/766256555.db2.gz DGUXSSZQEXHVRR-DETPVDSQSA-N 1 0 324.377 1.210 20 5 DDBDRO Cc1nc(Cl)nc(N(CC[NH3+])c2cccnc2)c1[N+](=O)[O-] ZINC001158000080 767628953 /nfs/dbraw/zinc/62/89/53/767628953.db2.gz IFNRGORUMKPNOW-UHFFFAOYSA-N 1 0 308.729 1.838 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CCC[C@@](C)(C[NH3+])C2)n1 ZINC001158681685 769058993 /nfs/dbraw/zinc/05/89/93/769058993.db2.gz FTCNXPJPCNMQNZ-AWEZNQCLSA-N 1 0 308.338 1.342 20 5 DDBDRO COc1cc([N+](=O)[O-])cnc1NC(=O)C12CCC[NH+]1CCC2 ZINC001132750152 769163115 /nfs/dbraw/zinc/16/31/15/769163115.db2.gz ATEXOMIKPPLJPE-UHFFFAOYSA-N 1 0 306.322 1.565 20 5 DDBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C1CC2(CC2)C1 ZINC001133646415 770094730 /nfs/dbraw/zinc/09/47/30/770094730.db2.gz JSRJZQBQKJSEHT-UHFFFAOYSA-N 1 0 303.362 1.991 20 5 DDBDRO Cc1c[nH]c(C(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)n1 ZINC001135052886 771301379 /nfs/dbraw/zinc/30/13/79/771301379.db2.gz SZGUGMRUKUUOAE-UHFFFAOYSA-N 1 0 309.351 1.207 20 5 DDBDRO CC[C@@]([NH3+])(CO)Nc1c(Br)cc(F)cc1[N+](=O)[O-] ZINC001170865521 771778137 /nfs/dbraw/zinc/77/81/37/771778137.db2.gz NSYOAXPKYLYMGV-JTQLQIEISA-N 1 0 322.134 1.966 20 5 DDBDRO O=C(C[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1)NC1CC1 ZINC001172896429 776929023 /nfs/dbraw/zinc/92/90/23/776929023.db2.gz PMDGFCGTUNABAS-ZDUSSCGKSA-N 1 0 303.362 1.710 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@H](CO)[C@@H](C)O)c1F ZINC001173174892 777033876 /nfs/dbraw/zinc/03/38/76/777033876.db2.gz FKAACXCDHPGREV-IQJOONFLSA-N 1 0 316.329 1.005 20 5 DDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@]1(C)CCC(=O)NC1=O ZINC001173218516 777050755 /nfs/dbraw/zinc/05/07/55/777050755.db2.gz KGSOYYMSSVODBU-ZUZCIYMTSA-N 1 0 305.334 1.311 20 5 DDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC001173227590 777062551 /nfs/dbraw/zinc/06/25/51/777062551.db2.gz RCKIUXRDKGIMCO-YOEHRIQHSA-N 1 0 319.405 1.932 20 5 DDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H]2CCNC(=O)[C@@H]2C1 ZINC001173235447 777064706 /nfs/dbraw/zinc/06/47/06/777064706.db2.gz XENVBRJAJUWXLR-CORIIIEPSA-N 1 0 303.362 1.594 20 5 DDBDRO CC(=O)N1C[C@@H]2C[C@]2([NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173210689 777067521 /nfs/dbraw/zinc/06/75/21/777067521.db2.gz MLZGPPIQINOXFH-WPGHFRTFSA-N 1 0 303.362 1.736 20 5 DDBDRO CC(C)[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001101541641 777232284 /nfs/dbraw/zinc/23/22/84/777232284.db2.gz OZTKHXPCPGOYQW-ZIAGYGMSSA-N 1 0 311.426 1.914 20 5 DDBDRO CC[NH+](CC)CC(=O)N(C)CCNc1ncc([N+](=O)[O-])cc1C ZINC001101628682 777324126 /nfs/dbraw/zinc/32/41/26/777324126.db2.gz ZANWRQIZSNOIFA-UHFFFAOYSA-N 1 0 323.397 1.510 20 5 DDBDRO CC[N@@H+]1C[C@@H](NC(=O)c2cnc(N)c([N+](=O)[O-])c2)C(C)(C)C1 ZINC001178860298 779215001 /nfs/dbraw/zinc/21/50/01/779215001.db2.gz AAKIRMXOVBTIJT-LLVKDONJSA-N 1 0 307.354 1.032 20 5 DDBDRO CS[C@@H]1CC[C@@H]([N@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001116150368 780479940 /nfs/dbraw/zinc/47/99/40/780479940.db2.gz NSIRQVHNMORPOP-RAIGVLPGSA-N 1 0 314.411 1.368 20 5 DDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC001118060729 781011892 /nfs/dbraw/zinc/01/18/92/781011892.db2.gz LGYLKECOKQESMD-QWRGUYRKSA-N 1 0 306.366 1.693 20 5 DDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC001118316827 781090729 /nfs/dbraw/zinc/09/07/29/781090729.db2.gz BVPMPXILJGKKFV-KLPPZKSPSA-N 1 0 306.366 1.707 20 5 DDBDRO CO[C@H]1C[NH2+][C@@](C)(C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001119237106 781374851 /nfs/dbraw/zinc/37/48/51/781374851.db2.gz PKBIQLBQYBKUKN-UKRRQHHQSA-N 1 0 305.334 1.204 20 5 DDBDRO CN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)Cc1cnoc1 ZINC001266813497 836873922 /nfs/dbraw/zinc/87/39/22/836873922.db2.gz TYVDWVUDFUCAJN-UHFFFAOYSA-N 1 0 318.333 1.374 20 5 DDBDRO CC[N@@H+]1CCCN(c2nnc(C[N+](=O)[O-])n2CC(C)C)CC1 ZINC001343629530 839838676 /nfs/dbraw/zinc/83/86/76/839838676.db2.gz CUAONRHEHNFTTH-UHFFFAOYSA-N 1 0 310.402 1.243 20 5 DDBDRO COC(=O)[C@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001326697750 861552466 /nfs/dbraw/zinc/55/24/66/861552466.db2.gz GHZRIBHBYVKNHD-QWRGUYRKSA-N 1 0 321.333 1.465 20 5 DDBDRO CC[C@H]1[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CCC[C@]12CCC(=O)N2 ZINC001169021506 850518009 /nfs/dbraw/zinc/51/80/09/850518009.db2.gz LGKQCJPNRMFIDS-AYDFFVQHSA-N 1 0 309.410 1.955 20 5 DDBDRO COc1cc(C)nc(N(c2ncccn2)C2C[NH2+]C2)c1[N+](=O)[O-] ZINC001155869646 862524608 /nfs/dbraw/zinc/52/46/08/862524608.db2.gz HUTJJDZCTYKYPU-UHFFFAOYSA-N 1 0 316.321 1.207 20 5 DDBDRO C[N@@H+]1CC[C@H]1CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001122030807 858667841 /nfs/dbraw/zinc/66/78/41/858667841.db2.gz GMAZHVWVUMSMRI-AWEZNQCLSA-N 1 0 304.350 1.367 20 5 DDBDRO [NH3+][C@H]1C[C@H](NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC001122489583 858844706 /nfs/dbraw/zinc/84/47/06/858844706.db2.gz ICWVYIPXLGEWNV-KYZUINATSA-N 1 0 314.139 1.577 20 5 DDBDRO COc1ncnc(N2CCC3(CC2)CC[NH+](C)CC3)c1[N+](=O)[O-] ZINC001156576464 863160489 /nfs/dbraw/zinc/16/04/89/863160489.db2.gz KIRJOYJGULLKDX-UHFFFAOYSA-N 1 0 321.381 1.706 20 5 DDBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N[C@H]2CC[N@H+](C)C2)n1 ZINC001156576296 863160901 /nfs/dbraw/zinc/16/09/01/863160901.db2.gz UYSQKEZNDNWMDN-LURJTMIESA-N 1 0 303.775 1.876 20 5 DDBDRO [NH3+]CCc1ccn(-c2nc(Cl)c(Cl)cc2[N+](=O)[O-])n1 ZINC001156898942 863430715 /nfs/dbraw/zinc/43/07/15/863430715.db2.gz ZYHYBVQCFHAUJB-UHFFFAOYSA-N 1 0 302.121 1.984 20 5 DDBDRO O=C([C@H]1C[C@]12CCC[NH2+]C2)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001329099340 863475660 /nfs/dbraw/zinc/47/56/60/863475660.db2.gz JACWYGYVWYQECF-ZBFHGGJFSA-N 1 0 301.346 1.827 20 5 DDBDRO COC(=O)[C@H](CO[C@@H](C)C[N+](C)(C)C)NC(=O)OC(C)(C)C ZINC001225112276 881687448 /nfs/dbraw/zinc/68/74/48/881687448.db2.gz ZMTLTTIMHHPSTG-RYUDHWBXSA-O 1 0 319.422 1.164 20 5 DDBDRO Nc1cc(N(c2cnccn2)C2CC[NH2+]CC2)ncc1[N+](=O)[O-] ZINC001157541190 863903426 /nfs/dbraw/zinc/90/34/26/863903426.db2.gz JOIUKQRMZKVJGE-UHFFFAOYSA-N 1 0 315.337 1.252 20 5 DDBDRO CCOC(=O)CN(CCC[NH3+])c1ccc2[nH]cc([N+](=O)[O-])c2n1 ZINC001157548993 863912944 /nfs/dbraw/zinc/91/29/44/863912944.db2.gz CEGXCSFFWQAWOC-UHFFFAOYSA-N 1 0 321.337 1.189 20 5 DDBDRO CN(C)/C=C/c1cc(N2CC[C@](F)(C[NH3+])C2)ncc1[N+](=O)[O-] ZINC001157816759 864167357 /nfs/dbraw/zinc/16/73/57/864167357.db2.gz GJGFHTSFZOAYNB-KQIUPUNMSA-N 1 0 309.345 1.399 20 5 DDBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N(C(C)C)[C@H]1CC[NH2+]C1 ZINC001158032784 864376064 /nfs/dbraw/zinc/37/60/64/864376064.db2.gz LMECBNDAMVYOHW-NSHDSACASA-N 1 0 322.365 1.743 20 5 DDBDRO O=C(NC[C@H]1C[NH+]2CCC1CC2)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001158269052 864530528 /nfs/dbraw/zinc/53/05/28/864530528.db2.gz MSBGFLTWPWCHQH-DZGCQCFKSA-N 1 0 319.361 1.086 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC001331017476 864778405 /nfs/dbraw/zinc/77/84/05/864778405.db2.gz OBEYRPKITAAAFS-MRXNPFEDSA-N 1 0 318.377 1.904 20 5 DDBDRO Cc1nn(C[N@@H+]2C[C@@H]3CSC[C@@H]3C2)c2ncc([N+](=O)[O-])cc12 ZINC001331052078 864805748 /nfs/dbraw/zinc/80/57/48/864805748.db2.gz TVSFCQGFYAGMDX-PHIMTYICSA-N 1 0 319.390 1.900 20 5 DDBDRO C[C@]1(C[NH3+])CCCN(c2c([N+](=O)[O-])cc[n+]([O-])c2Cl)C1 ZINC001158678222 864806942 /nfs/dbraw/zinc/80/69/42/864806942.db2.gz FCBCARSHTADWIM-GFCCVEGCSA-N 1 0 300.746 1.447 20 5 DDBDRO COc1cc(C)nc(N2CC([N@H+](C)[C@H]3CCOC3)C2)c1[N+](=O)[O-] ZINC001158731744 864867187 /nfs/dbraw/zinc/86/71/87/864867187.db2.gz XCDCZZDVROYCDE-NSHDSACASA-N 1 0 322.365 1.216 20 5 DDBDRO O=C(NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1)c1ncc[nH]1 ZINC001277047296 881856535 /nfs/dbraw/zinc/85/65/35/881856535.db2.gz ASILBESWXHGOPT-UHFFFAOYSA-N 1 0 315.333 1.370 20 5 DDBDRO C[C@H](Nc1ncnc2cc([N+](=O)[O-])ccc21)[C@@H]1C[NH2+]CCO1 ZINC001159496019 865348203 /nfs/dbraw/zinc/34/82/03/865348203.db2.gz IADFXAKUNOQMDD-ZANVPECISA-N 1 0 303.322 1.327 20 5 DDBDRO C[C@H](Nc1nccc2cc([N+](=O)[O-])ccc21)[C@H]1C[NH2+]CCO1 ZINC001159499650 865355102 /nfs/dbraw/zinc/35/51/02/865355102.db2.gz BBJQJSCILDQGAE-IINYFYTJSA-N 1 0 302.334 1.932 20 5 DDBDRO COc1ncnc(-n2cc3ccc(C[NH3+])cc3n2)c1[N+](=O)[O-] ZINC001160140976 865695722 /nfs/dbraw/zinc/69/57/22/865695722.db2.gz RTRATUQNIZOUDN-UHFFFAOYSA-N 1 0 300.278 1.191 20 5 DDBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(NC[C@@H]2CCCC[NH2+]2)n1 ZINC001160156032 865702402 /nfs/dbraw/zinc/70/24/02/865702402.db2.gz ZTEZTMLBOKTLAW-JTQLQIEISA-N 1 0 308.342 1.206 20 5 DDBDRO O=[N+]([O-])c1cnc(N[C@H]2CC[N@@H+](C3CCC3)C2)c([N+](=O)[O-])c1 ZINC001161177253 866428087 /nfs/dbraw/zinc/42/80/87/866428087.db2.gz LMOCNBOGSHBWNM-VIFPVBQESA-N 1 0 307.310 1.937 20 5 DDBDRO O=C(NC[C@H]1C[NH2+]CCC1(F)F)c1c(F)cccc1[N+](=O)[O-] ZINC001333770332 866998010 /nfs/dbraw/zinc/99/80/10/866998010.db2.gz FSYITHBQGVLAMU-MRVPVSSYSA-N 1 0 317.267 1.709 20 5 DDBDRO CCOC(=O)c1c(C)cccc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001225805557 882041200 /nfs/dbraw/zinc/04/12/00/882041200.db2.gz KIVIIDMJEQLQLB-CYBMUJFWSA-N 1 0 324.397 1.534 20 5 DDBDRO COc1nc(N(CC[NH3+])c2ccc(F)cc2)ncc1[N+](=O)[O-] ZINC001161879503 867065331 /nfs/dbraw/zinc/06/53/31/867065331.db2.gz UFKVARBBAHWKEZ-UHFFFAOYSA-N 1 0 307.285 1.629 20 5 DDBDRO COc1cc([C@@H](C)[NH2+]CCN2CCOC[C@H]2C)cc([N+](=O)[O-])c1 ZINC001334729137 867796620 /nfs/dbraw/zinc/79/66/20/867796620.db2.gz FROQRFKLEKIVPY-CHWSQXEVSA-N 1 0 323.393 1.975 20 5 DDBDRO C[NH+](C)[C@H]1C[C@@H](NC(=O)COc2cccc([N+](=O)[O-])c2)C1(C)C ZINC001162904418 867910792 /nfs/dbraw/zinc/91/07/92/867910792.db2.gz IHAUFWWMGFLATG-KGLIPLIRSA-N 1 0 321.377 1.819 20 5 DDBDRO COc1cccc(NCc2nnn3c2C[NH2+]CCC3)c1[N+](=O)[O-] ZINC001162971668 867960239 /nfs/dbraw/zinc/96/02/39/867960239.db2.gz LSVOWHXIOBTKNO-UHFFFAOYSA-N 1 0 318.337 1.300 20 5 DDBDRO Cc1c(F)cc([N+](=O)[O-])cc1NCc1nnn2c1C[NH2+]CCC2 ZINC001162978796 867969029 /nfs/dbraw/zinc/96/90/29/867969029.db2.gz GMSBRYCYYYLJFP-UHFFFAOYSA-N 1 0 320.328 1.739 20 5 DDBDRO [NH3+]C[C@@H](CO)c1ccc(Nc2ncc([N+](=O)[O-])cc2F)cc1 ZINC001163053294 868041702 /nfs/dbraw/zinc/04/17/02/868041702.db2.gz PJVXUQACFYZZMG-JTQLQIEISA-N 1 0 306.297 1.907 20 5 DDBDRO COc1cnc(NCC[C@H]2CCOC23C[NH2+]C3)cc1[N+](=O)[O-] ZINC001163086433 868074163 /nfs/dbraw/zinc/07/41/63/868074163.db2.gz AZUJOXGOODBGDJ-JTQLQIEISA-N 1 0 308.338 1.179 20 5 DDBDRO Cc1c(NC[C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)ccc([N+](=O)[O-])c1[N+](=O)[O-] ZINC001163104985 868102506 /nfs/dbraw/zinc/10/25/06/868102506.db2.gz HFRUONNZFSQFAR-GIPNMCIBSA-N 1 0 322.321 1.458 20 5 DDBDRO CCOC(=O)c1cc(NC[C@@]23C[NH2+][C@@H](CO2)C3)ccc1[N+](=O)[O-] ZINC001163203925 868213184 /nfs/dbraw/zinc/21/31/84/868213184.db2.gz RHJITBIWIDPQLO-ABAIWWIYSA-N 1 0 321.333 1.314 20 5 DDBDRO CC(C)C[NH2+]CCN(Cc1ccccc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001325691041 868256785 /nfs/dbraw/zinc/25/67/85/868256785.db2.gz YOHZLRYXSXHZGR-HZPDHXFCSA-N 1 0 319.405 1.926 20 5 DDBDRO CC(=O)Nc1ccc(N[C@H]2CC[C@@H]3C[NH2+]C[C@@H]32)cc1[N+](=O)[O-] ZINC001163267501 868284614 /nfs/dbraw/zinc/28/46/14/868284614.db2.gz WEJUEMUCHSBITF-WXHSDQCUSA-N 1 0 304.350 1.963 20 5 DDBDRO CNc1cc([N+](=O)[O-])cnc1NC[C@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001163275796 868297374 /nfs/dbraw/zinc/29/73/74/868297374.db2.gz APYGANCREJGSKJ-XHDPSFHLSA-N 1 0 321.381 1.602 20 5 DDBDRO Cc1ccc2c(ccnc2N[C@H]2C[NH2+][C@@H]3CCO[C@@H]32)c1[N+](=O)[O-] ZINC001163337199 868365439 /nfs/dbraw/zinc/36/54/39/868365439.db2.gz YENIXMAGEOGSOL-IPYPFGDCSA-N 1 0 314.345 1.993 20 5 DDBDRO COc1nc(N[C@@H]2CC[N@@H+](C(C)C)C[C@@H]2C)ncc1[N+](=O)[O-] ZINC001163357056 868390872 /nfs/dbraw/zinc/39/08/72/868390872.db2.gz ITRMAYHJJDYVSA-WDEREUQCSA-N 1 0 309.370 1.924 20 5 DDBDRO Cc1nc(Cl)nc(N2CC[C@@]3(C2)CCC[NH2+]C3)c1[N+](=O)[O-] ZINC001165236198 869455371 /nfs/dbraw/zinc/45/53/71/869455371.db2.gz JTLNEIRCLAPUKW-ZDUSSCGKSA-N 1 0 311.773 1.927 20 5 DDBDRO [NH3+][C@H]1[C@H]2CN(c3cc4ncnc(Cl)c4cc3[N+](=O)[O-])C[C@@H]12 ZINC001165383044 869554780 /nfs/dbraw/zinc/55/47/80/869554780.db2.gz NLEIWZUVLAQVFM-IJBDUVHLSA-N 1 0 305.725 1.585 20 5 DDBDRO Cc1cc(C(=O)N[C@@H]2CC[C@H]3C[N@@H+](C)C[C@H]32)ccc1[N+](=O)[O-] ZINC001337837311 869652784 /nfs/dbraw/zinc/65/27/84/869652784.db2.gz ZXRKZUFYVVHDNO-BFHYXJOUSA-N 1 0 303.362 1.973 20 5 DDBDRO N=c1nc([C@H]2CCC[NH2+]2)ccn1-c1ncc([N+](=O)[O-])cc1F ZINC001166702171 870171747 /nfs/dbraw/zinc/17/17/47/870171747.db2.gz WCJCTSCXWCZDIX-SNVBAGLBSA-N 1 0 304.285 1.219 20 5 DDBDRO [NH3+][C@@H]1CN(c2cc([N+](=O)[O-])cc3c(Cl)ncnc32)C[C@@H]1F ZINC001166929524 870389940 /nfs/dbraw/zinc/38/99/40/870389940.db2.gz AMHZRKJTTRCRLT-DTWKUNHWSA-N 1 0 311.704 1.677 20 5 DDBDRO CCOC(=O)Cc1ccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)cc1 ZINC001226395536 882406908 /nfs/dbraw/zinc/40/69/08/882406908.db2.gz PCVHWLDVHABAKA-CQSZACIVSA-N 1 0 324.397 1.155 20 5 DDBDRO C[N@@H+]1C[C@@]23CN(C(=O)c4c[nH]nc4[N+](=O)[O-])C[C@]2(C1)CCCC3 ZINC001339370268 870465466 /nfs/dbraw/zinc/46/54/66/870465466.db2.gz RCTZVXVTRIFYOT-GASCZTMLSA-N 1 0 319.365 1.266 20 5 DDBDRO Cn1c(C[N+](=O)[O-])nnc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC001339553453 870551984 /nfs/dbraw/zinc/55/19/84/870551984.db2.gz OKRCWAWNDRWBSE-AAEUAGOBSA-N 1 0 320.397 1.045 20 5 DDBDRO O=C(CCn1cc([N+](=O)[O-])cn1)Nc1ccc2c[nH+]cn2c1 ZINC001304165898 871199627 /nfs/dbraw/zinc/19/96/27/871199627.db2.gz MMMKAEPBGNYPDW-UHFFFAOYSA-N 1 0 300.278 1.468 20 5 DDBDRO COc1ccc2ncc([N+](=O)[O-])c(NCC[NH+]3CC=CC3)c2c1 ZINC001306975921 871386785 /nfs/dbraw/zinc/38/67/85/871386785.db2.gz UHRHMJRENCMVMI-UHFFFAOYSA-N 1 0 314.345 1.857 20 5 DDBDRO COc1ccc(C(=O)N2CC[C@@]3(C2)CCCC[NH2+]3)cc1[N+](=O)[O-] ZINC001341339405 871613312 /nfs/dbraw/zinc/61/33/12/871613312.db2.gz OSRSHWAEFGTKOT-MRXNPFEDSA-N 1 0 319.361 1.962 20 5 DDBDRO C[NH2+]CCCN(C)C(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC001341845615 871854295 /nfs/dbraw/zinc/85/42/95/871854295.db2.gz QOBQKWZPWWLEPW-CQSZACIVSA-N 1 0 320.349 1.156 20 5 DDBDRO COc1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)cc([N+](=O)[O-])c1C ZINC001342940010 872445051 /nfs/dbraw/zinc/44/50/51/872445051.db2.gz APJMQWDBYCJKGL-QJPTWQEYSA-N 1 0 305.334 1.535 20 5 DDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@H]3CCOC34CCOCC4)C2)c1 ZINC001343332611 872583652 /nfs/dbraw/zinc/58/36/52/872583652.db2.gz FPAXHKZWBYUIFT-YIZWMMSDSA-N 1 0 322.365 1.423 20 5 DDBDRO COc1cccc(C(=O)NC[C@H]2CCC[NH2+]CC2)c1[N+](=O)[O-] ZINC001343714605 872730124 /nfs/dbraw/zinc/73/01/24/872730124.db2.gz OUXXYZSIYYHISI-NSHDSACASA-N 1 0 307.350 1.723 20 5 DDBDRO CC[C@@]1(C(=O)NCCNc2ccccc2[N+](=O)[O-])CC[NH2+]C1 ZINC001348942026 874886212 /nfs/dbraw/zinc/88/62/12/874886212.db2.gz MNJKEELFOTVPRF-OAHLLOKOSA-N 1 0 306.366 1.513 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC001351177305 876101050 /nfs/dbraw/zinc/10/10/50/876101050.db2.gz PIRHQYMHAUDIHI-RYUDHWBXSA-N 1 0 323.397 1.479 20 5 DDBDRO CCCc1cc(OC(=O)C[C@@H](O)C[N+](C)(C)C)nc(=S)[nH]1 ZINC001227418039 883003969 /nfs/dbraw/zinc/00/39/69/883003969.db2.gz VDEABZSVTOWUBT-LLVKDONJSA-O 1 0 314.431 1.080 20 5 DDBDRO O=[N+]([O-])C[C@@H](OC[C@@H]1C[C@H]2CC[NH2+]C[C@@H]2O1)c1cccnc1 ZINC001217864571 877343673 /nfs/dbraw/zinc/34/36/73/877343673.db2.gz FVVKXQBUOVPJNH-UQOMUDLDSA-N 1 0 307.350 1.183 20 5 DDBDRO C[C@@H](C[NH2+]CCNc1ccc([N+](=O)[O-])cc1)S(C)(=O)=O ZINC001356533274 879091251 /nfs/dbraw/zinc/09/12/51/879091251.db2.gz PUWBXTZAKHOIGE-JTQLQIEISA-N 1 0 301.368 1.029 20 5 DDBDRO CC[N@@H+]1C[C@@H](C)N(c2nnc(C[N+](=O)[O-])n2CC(C)C)C[C@@H]1C ZINC001358057079 880310703 /nfs/dbraw/zinc/31/07/03/880310703.db2.gz HAQALPNFXSKUHY-QWHCGFSZSA-N 1 0 324.429 1.630 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)OC(F)(F)c1ccccc1F ZINC001223377090 880938377 /nfs/dbraw/zinc/93/83/77/880938377.db2.gz OKNBLMIGQRKQTC-SNVBAGLBSA-N 1 0 306.304 1.875 20 5 DDBDRO CCOc1cc(F)c(OC(=O)C[C@@H](O)C[N+](C)(C)C)c(F)c1 ZINC001227849993 883201017 /nfs/dbraw/zinc/20/10/17/883201017.db2.gz KKEMZEDGFDVESW-SNVBAGLBSA-N 1 0 318.340 1.726 20 5 DDBDRO Cc1nc(OC(=O)C[C@@H](O)C[N+](C)(C)C)c2cccc(O)c2n1 ZINC001228833035 883691438 /nfs/dbraw/zinc/69/14/38/883691438.db2.gz RYKWOHIRCOTIKQ-LLVKDONJSA-O 1 0 320.369 1.006 20 5 DDBDRO CN(CCCNC(=O)C(C)(C)F)Cc1c([N+](=O)[O-])ncn1C ZINC001231131819 885275563 /nfs/dbraw/zinc/27/55/63/885275563.db2.gz ZNBBMEDOMHOXIY-UHFFFAOYSA-N 1 0 315.349 1.015 20 5 DDBDRO CC(=O)N1CCC[C@H](C[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254573990 896508402 /nfs/dbraw/zinc/50/84/02/896508402.db2.gz FDPLAHOICOVEIN-CJNGLKHVSA-N 1 0 317.389 1.910 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1CCC[C@H](n3cncn3)C1)C2 ZINC001254604342 896527267 /nfs/dbraw/zinc/52/72/67/896527267.db2.gz VUOYQSNAEDPGDC-HOTGVXAUSA-N 1 0 313.361 1.991 20 5 DDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)NCCC1CC[NH2+]CC1 ZINC001261528130 899621193 /nfs/dbraw/zinc/62/11/93/899621193.db2.gz NEAARUGBXSBVHL-UHFFFAOYSA-N 1 0 306.366 1.756 20 5 DDBDRO COc1cc(C(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)cc([N+](=O)[O-])c1OC ZINC000278314966 214085279 /nfs/dbraw/zinc/08/52/79/214085279.db2.gz UHKUCJHXIQMMGY-GXSJLCMTSA-N 1 0 323.349 1.482 20 5 DDBDRO COCCN1CC[C@H]([NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000449153227 230585624 /nfs/dbraw/zinc/58/56/24/230585624.db2.gz JAPCSHRSDIPTFP-ZFWWWQNUSA-N 1 0 307.394 1.836 20 5 DDBDRO Cc1cc(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])on1 ZINC000563528802 303958837 /nfs/dbraw/zinc/95/88/37/303958837.db2.gz HANOKDHGKNZAGK-NSHDSACASA-N 1 0 307.306 1.421 20 5 DDBDRO CC[C@@H]1C[N@H+](CC)CCN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000451735505 529388876 /nfs/dbraw/zinc/38/88/76/529388876.db2.gz YHRAJKWSHVWHMP-CYBMUJFWSA-N 1 0 320.393 1.949 20 5 DDBDRO C[C@H]([N@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C(C)(C)O ZINC000451357594 231075168 /nfs/dbraw/zinc/07/51/68/231075168.db2.gz DPHARPFYCGAPOD-WCQYABFASA-N 1 0 312.366 1.426 20 5 DDBDRO CSC[C@@H](O)C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000249464844 282158161 /nfs/dbraw/zinc/15/81/61/282158161.db2.gz QANAIYGPYLXJFD-PWSUYJOCSA-N 1 0 312.395 1.200 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H]1CCC[C@@H]1CCO ZINC000279281365 214761864 /nfs/dbraw/zinc/76/18/64/214761864.db2.gz OKBUTHFRCGWCCY-MCIONIFRSA-N 1 0 324.377 1.475 20 5 DDBDRO C[C@H]1C[C@H](N(C)CCn2cc([N+](=O)[O-])ccc2=O)CC[N@@H+]1C ZINC000090551640 185302847 /nfs/dbraw/zinc/30/28/47/185302847.db2.gz NNRGUYRPHWFPJU-QWHCGFSZSA-N 1 0 308.382 1.171 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000412382646 529797355 /nfs/dbraw/zinc/79/73/55/529797355.db2.gz WVEZGGJPCSZJTJ-BVUBDWEXSA-N 1 0 315.373 1.861 20 5 DDBDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000279380599 214835574 /nfs/dbraw/zinc/83/55/74/214835574.db2.gz HXGSBSHJLUFKRF-UWVGGRQHSA-N 1 0 324.356 1.919 20 5 DDBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccn(C)n1 ZINC000358243967 299106054 /nfs/dbraw/zinc/10/60/54/299106054.db2.gz YCBJWVALUDDBMR-LLVKDONJSA-N 1 0 317.349 1.835 20 5 DDBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@]1(O)CCN(C)C1 ZINC000358257075 299109229 /nfs/dbraw/zinc/10/92/29/299109229.db2.gz TXTMOXWINZNAPN-CZUORRHYSA-N 1 0 307.394 1.572 20 5 DDBDRO C[N@@H+]1CCC[C@@H](CCNC(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000458192871 530054635 /nfs/dbraw/zinc/05/46/35/530054635.db2.gz PHSZNIRWQYUYOC-ZDUSSCGKSA-N 1 0 305.378 1.985 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H](O)CC1 ZINC000293025977 282361276 /nfs/dbraw/zinc/36/12/76/282361276.db2.gz FVSVUIIQRSXRBT-OLZOCXBDSA-N 1 0 310.350 1.181 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](CO)C2)n1 ZINC000286752881 219147445 /nfs/dbraw/zinc/14/74/45/219147445.db2.gz YVELIWOYXVZFRK-ZJUUUORDSA-N 1 0 322.287 1.284 20 5 DDBDRO COC(=O)CNC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181820388 199356693 /nfs/dbraw/zinc/35/66/93/199356693.db2.gz OAROOISJPPVARA-MNOVXSKESA-N 1 0 323.349 1.232 20 5 DDBDRO CCOCCNC(=O)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181828180 199358365 /nfs/dbraw/zinc/35/83/65/199358365.db2.gz JHEIAXCQGYTXCT-LBPRGKRZSA-N 1 0 309.366 1.707 20 5 DDBDRO C[NH+](C)CCc1ccc(CNC(=O)c2cc([N+](=O)[O-])n[nH]2)cc1 ZINC000286809489 219176016 /nfs/dbraw/zinc/17/60/16/219176016.db2.gz PMNYIWGYVBQYLQ-UHFFFAOYSA-N 1 0 317.349 1.352 20 5 DDBDRO CC(C)C[C@@H](C[NH3+])NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000236622749 201938249 /nfs/dbraw/zinc/93/82/49/201938249.db2.gz PYHPENBFDURIRC-LBPRGKRZSA-N 1 0 308.382 1.886 20 5 DDBDRO O=c1[nH]cnc2cc(NCC[C@H]3CCC[NH2+]3)c([N+](=O)[O-])cc21 ZINC000318543256 290815857 /nfs/dbraw/zinc/81/58/57/290815857.db2.gz YULQGIVPTMNFRI-SECBINFHSA-N 1 0 303.322 1.798 20 5 DDBDRO O=C(NCC[N@H+]1CC=CCC1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000279795116 215152451 /nfs/dbraw/zinc/15/24/51/215152451.db2.gz DPSVVBSDYMYAOU-UHFFFAOYSA-N 1 0 319.317 1.315 20 5 DDBDRO COCC[NH+]1CCC(NC(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000141381813 186029994 /nfs/dbraw/zinc/02/99/94/186029994.db2.gz VDZDMKFINJRKGZ-UHFFFAOYSA-N 1 0 313.379 1.497 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H]3C[NH2+]C[C@H]32)c1 ZINC000564837972 304017913 /nfs/dbraw/zinc/01/79/13/304017913.db2.gz VELPQQSBVXTMGC-XHDPSFHLSA-N 1 0 319.361 1.818 20 5 DDBDRO Cc1nn(CC(=O)NC2CC[NH+](C3CC3)CC2)c(C)c1[N+](=O)[O-] ZINC000021681264 352174180 /nfs/dbraw/zinc/17/41/80/352174180.db2.gz UBVWNTUBVWXGRY-UHFFFAOYSA-N 1 0 321.381 1.151 20 5 DDBDRO CC[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)CC(=O)N(C)C ZINC000056493674 352775328 /nfs/dbraw/zinc/77/53/28/352775328.db2.gz BXZGLPBLJBNQRI-UHFFFAOYSA-N 1 0 309.366 1.774 20 5 DDBDRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000056347421 352768619 /nfs/dbraw/zinc/76/86/19/352768619.db2.gz JIWDJCSRBUJCJO-ZDUSSCGKSA-N 1 0 316.361 1.826 20 5 DDBDRO CC[NH+]1CCC(NC(=O)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000063665770 352918887 /nfs/dbraw/zinc/91/88/87/352918887.db2.gz MRLIZMIKHWDTJX-UHFFFAOYSA-N 1 0 321.377 1.964 20 5 DDBDRO C[NH+](C)[C@@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)C1CC1 ZINC000064299874 352932781 /nfs/dbraw/zinc/93/27/81/352932781.db2.gz RDMNYQHPJFVUJO-LBPRGKRZSA-N 1 0 310.329 1.386 20 5 DDBDRO CNC(=O)c1ccc(N2CCC([NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000064905977 352945664 /nfs/dbraw/zinc/94/56/64/352945664.db2.gz WZBWKVYZXOAQDH-UHFFFAOYSA-N 1 0 306.366 1.485 20 5 DDBDRO COc1cc(OCC(=O)NCC[N@H+](C)C2CC2)ccc1[N+](=O)[O-] ZINC000066923943 353025911 /nfs/dbraw/zinc/02/59/11/353025911.db2.gz ANSNQFXRGPFQIE-UHFFFAOYSA-N 1 0 323.349 1.193 20 5 DDBDRO CCOc1ccc(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000067703312 353063718 /nfs/dbraw/zinc/06/37/18/353063718.db2.gz DPLVMRLCLLUMMM-LBPRGKRZSA-N 1 0 319.361 1.960 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000068467937 353113428 /nfs/dbraw/zinc/11/34/28/353113428.db2.gz IVFWJGOZOLJGFF-ZDUSSCGKSA-N 1 0 321.381 1.187 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[N@@H+](C(C)C)CC1 ZINC000068777284 353129343 /nfs/dbraw/zinc/12/93/43/353129343.db2.gz IWUOWCKZLAANKW-UHFFFAOYSA-N 1 0 309.370 1.042 20 5 DDBDRO Cc1cc(N(C)CCCN2CC[NH+](C)CC2)ncc1[N+](=O)[O-] ZINC000074750100 353328348 /nfs/dbraw/zinc/32/83/48/353328348.db2.gz WTPUNDBBWJDCKH-UHFFFAOYSA-N 1 0 307.398 1.372 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000564994797 304034572 /nfs/dbraw/zinc/03/45/72/304034572.db2.gz HODCEQXPGNXVNL-LBPRGKRZSA-N 1 0 306.366 1.395 20 5 DDBDRO O=C(CCOc1ccccc1[N+](=O)[O-])NCCC[NH+]1CCCC1 ZINC000077570735 353477032 /nfs/dbraw/zinc/47/70/32/353477032.db2.gz CGOCGGKXADLNFI-UHFFFAOYSA-N 1 0 321.377 1.966 20 5 DDBDRO Cc1cnc(N2CCC(C[NH+]3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000078631575 353525877 /nfs/dbraw/zinc/52/58/77/353525877.db2.gz FFNULCNRQQOSER-UHFFFAOYSA-N 1 0 320.393 1.847 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)[C@@H]1CCC[C@@H]1O ZINC000080441103 353608932 /nfs/dbraw/zinc/60/89/32/353608932.db2.gz VFZYMSKBJSTRFK-KGLIPLIRSA-N 1 0 307.350 1.687 20 5 DDBDRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000084259677 353719298 /nfs/dbraw/zinc/71/92/98/353719298.db2.gz CBXNSHIHRSKCQV-HZPDHXFCSA-N 1 0 317.389 1.775 20 5 DDBDRO C[C@@H]1C[C@H]([NH3+])CCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000237436414 354342405 /nfs/dbraw/zinc/34/24/05/354342405.db2.gz DQSLDHJGNKSLBQ-HTQZYQBOSA-N 1 0 305.381 1.157 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H]2CCc3ccccc3C2)c1 ZINC000321121501 354531113 /nfs/dbraw/zinc/53/11/13/354531113.db2.gz QGBONIXFCPISBI-HOCLYGCPSA-N 1 0 316.361 1.299 20 5 DDBDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)c3cc([O-])ccc3[N+](=O)[O-])C2)C1 ZINC000319855459 354523716 /nfs/dbraw/zinc/52/37/16/354523716.db2.gz HWGBQBQDXHYNQP-OAHLLOKOSA-N 1 0 305.334 1.468 20 5 DDBDRO O=[N+]([O-])c1ccc(C[NH2+]CC[C@]2(O)CCOC2)c(Cl)c1 ZINC000404209094 354674914 /nfs/dbraw/zinc/67/49/14/354674914.db2.gz OXIGVIFBERNODY-ZDUSSCGKSA-N 1 0 300.742 1.879 20 5 DDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CCN(C[C@H]2CCCO2)CC1 ZINC000588810196 354938000 /nfs/dbraw/zinc/93/80/00/354938000.db2.gz WOZXAGDNWDCBAN-CYBMUJFWSA-N 1 0 323.397 1.421 20 5 DDBDRO Cc1cc(C(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)cc([N+](=O)[O-])c1 ZINC000588830342 354940194 /nfs/dbraw/zinc/94/01/94/354940194.db2.gz XXOSGUDASVGQJY-HNNXBMFYSA-N 1 0 318.377 1.023 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[NH+](C3CC3)CC2)c1 ZINC000589494095 354996207 /nfs/dbraw/zinc/99/62/07/354996207.db2.gz CHCJCEBBDYIGBO-UHFFFAOYSA-N 1 0 319.361 1.661 20 5 DDBDRO CCOc1cc(C[N@H+](C[C@H](C)O)[C@@H](C)CO)ccc1[N+](=O)[O-] ZINC000276972772 213210748 /nfs/dbraw/zinc/21/07/48/213210748.db2.gz XFELUBQVIIKZMC-RYUDHWBXSA-N 1 0 312.366 1.557 20 5 DDBDRO CCCC[C@@H](C[NH3+])NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000236814729 202023477 /nfs/dbraw/zinc/02/34/77/202023477.db2.gz UQRJEAYNMBOPAK-LBPRGKRZSA-N 1 0 308.382 1.665 20 5 DDBDRO [NH3+]C[C@H](NC(=O)NCCOc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000591351704 355296636 /nfs/dbraw/zinc/29/66/36/355296636.db2.gz YDPNEXGFLABVRO-ZDUSSCGKSA-N 1 0 308.338 1.010 20 5 DDBDRO Cc1c(CNC(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)cccc1[N+](=O)[O-] ZINC000591357037 355298521 /nfs/dbraw/zinc/29/85/21/355298521.db2.gz FIEHPVIUGQWQRR-JSGCOSHPSA-N 1 0 318.377 1.797 20 5 DDBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000591447820 355313880 /nfs/dbraw/zinc/31/38/80/355313880.db2.gz AGGGTGJPAVALPU-MBNYWOFBSA-N 1 0 318.377 1.606 20 5 DDBDRO CO[C@H](C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000591767776 355381222 /nfs/dbraw/zinc/38/12/22/355381222.db2.gz JFRAXPSSBMKWIH-SWLSCSKDSA-N 1 0 310.350 1.349 20 5 DDBDRO COc1cccc(C(=O)N2CCC[C@H](C)[C@H]2C[NH3+])c1[N+](=O)[O-] ZINC000591676316 355360304 /nfs/dbraw/zinc/36/03/04/355360304.db2.gz MBNIXPIXLQSJSE-CMPLNLGQSA-N 1 0 307.350 1.803 20 5 DDBDRO COc1cc(C(=O)NC[C@H](C)[NH3+])c([N+](=O)[O-])cc1OC(F)F ZINC000592332948 355561011 /nfs/dbraw/zinc/56/10/11/355561011.db2.gz AYVQNGXSVVWBPB-LURJTMIESA-N 1 0 319.264 1.282 20 5 DDBDRO CC[C@H]1CN(C(=O)CCNc2ccccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000592332347 355561200 /nfs/dbraw/zinc/56/12/00/355561200.db2.gz WXGFFSMHJFMJRG-QWHCGFSZSA-N 1 0 320.393 1.983 20 5 DDBDRO Cc1c(CC(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)cccc1[N+](=O)[O-] ZINC000592308981 355556416 /nfs/dbraw/zinc/55/64/16/355556416.db2.gz PMJGWBRAORJMAS-RISCZKNCSA-N 1 0 307.350 1.020 20 5 DDBDRO CC[C@@H]1CN(C(=O)CNc2ccccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000592544645 355622317 /nfs/dbraw/zinc/62/23/17/355622317.db2.gz FAGKVGWVGSTBHL-NEPJUHHUSA-N 1 0 306.366 1.593 20 5 DDBDRO CC[C@H]1CN(C(=O)CCOc2ccccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000592545187 355623234 /nfs/dbraw/zinc/62/32/34/355623234.db2.gz PACJHZXTPJRFOJ-QWHCGFSZSA-N 1 0 321.377 1.950 20 5 DDBDRO O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000592558719 355628907 /nfs/dbraw/zinc/62/89/07/355628907.db2.gz XWYLAYHLZZPVQG-FICVDOATSA-N 1 0 301.346 1.551 20 5 DDBDRO CC[C@@H]1C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H](CC)CO1 ZINC000593060284 355783656 /nfs/dbraw/zinc/78/36/56/355783656.db2.gz ZYKUJZVPGOESJM-MRVWCRGKSA-N 1 0 312.370 1.042 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1N1CC[N@H+](C)C[C@@H]1Cc1ccccc1 ZINC000593503347 355905527 /nfs/dbraw/zinc/90/55/27/355905527.db2.gz IJLVTUFJJALWPH-AWEZNQCLSA-N 1 0 315.377 1.691 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)Cc3ccc(F)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000593588730 355935158 /nfs/dbraw/zinc/93/51/58/355935158.db2.gz LXBKQCNUTCIOFL-IAQYHMDHSA-N 1 0 321.352 1.829 20 5 DDBDRO O=[N+]([O-])c1ccccc1/C=C/CN1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000593679839 355964754 /nfs/dbraw/zinc/96/47/54/355964754.db2.gz MWJKRRGYKLRDAX-SJDLMVEWSA-N 1 0 303.362 1.359 20 5 DDBDRO CN(CC[NH+]1CCCCC1)C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000593883604 356041052 /nfs/dbraw/zinc/04/10/52/356041052.db2.gz PKIAUJLNJMEYLW-UHFFFAOYSA-N 1 0 309.370 1.126 20 5 DDBDRO CN1C[C@H]([N@H+](C)CCCOc2ccc([N+](=O)[O-])cc2)CCC1=O ZINC000593991707 356081151 /nfs/dbraw/zinc/08/11/51/356081151.db2.gz JAMVJJOKAFLGAC-CQSZACIVSA-N 1 0 321.377 1.916 20 5 DDBDRO C[C@@H](O)C[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000594063066 356103292 /nfs/dbraw/zinc/10/32/92/356103292.db2.gz IGXQALUFLNGGLL-DGCLKSJQSA-N 1 0 310.350 1.180 20 5 DDBDRO CC[N@H+](C)C[C@@H](O)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000594569034 356252023 /nfs/dbraw/zinc/25/20/23/356252023.db2.gz XTUIJDHYFLKTKS-OAHLLOKOSA-N 1 0 304.350 1.771 20 5 DDBDRO CC[N@H+](C)C[C@@H](O)Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000594571556 356252544 /nfs/dbraw/zinc/25/25/44/356252544.db2.gz QREGUCLXLOXUEE-CYBMUJFWSA-N 1 0 304.350 1.771 20 5 DDBDRO COCC1(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000594577314 356254194 /nfs/dbraw/zinc/25/41/94/356254194.db2.gz LFLORSLJBTULHJ-GFCCVEGCSA-N 1 0 310.350 1.351 20 5 DDBDRO C[C@@H](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000594816771 356326338 /nfs/dbraw/zinc/32/63/38/356326338.db2.gz LBAYJYHSMAMJDF-JTQLQIEISA-N 1 0 301.368 1.213 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCC[C@@H](C)[NH+](C)C ZINC000594817925 356326838 /nfs/dbraw/zinc/32/68/38/356326838.db2.gz WDWMVEVMAIWCIT-LLVKDONJSA-N 1 0 315.395 1.522 20 5 DDBDRO C[C@H](CCNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000594822183 356328238 /nfs/dbraw/zinc/32/82/38/356328238.db2.gz RPEBWMIZFWLVKN-LLVKDONJSA-N 1 0 315.395 1.354 20 5 DDBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]C[C@H](CO)CC1CC1)OCCO2 ZINC000594982371 356367854 /nfs/dbraw/zinc/36/78/54/356367854.db2.gz DBGBFSLAAMLZIK-GFCCVEGCSA-N 1 0 322.361 1.864 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@@H](O)C[NH+]1CCCC1 ZINC000595018594 356373122 /nfs/dbraw/zinc/37/31/22/356373122.db2.gz SPZVLFOCFVUDGY-TZMCWYRMSA-N 1 0 323.393 1.711 20 5 DDBDRO COc1ccc(NC(=O)N2CC3CC2(C[NH3+])C3)cc1[N+](=O)[O-] ZINC000595231612 356413054 /nfs/dbraw/zinc/41/30/54/356413054.db2.gz YVUPVADUOQAPFS-UHFFFAOYSA-N 1 0 306.322 1.558 20 5 DDBDRO C[NH2+]C[C@@H](C)NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000595275653 356429531 /nfs/dbraw/zinc/42/95/31/356429531.db2.gz QGCFNSDCFISARO-LLVKDONJSA-N 1 0 306.366 1.877 20 5 DDBDRO CCC[C@H]([NH3+])C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000236828551 202028513 /nfs/dbraw/zinc/02/85/13/202028513.db2.gz IHOATNSVZLIYEK-AWEZNQCLSA-N 1 0 306.366 1.371 20 5 DDBDRO Cc1noc(CN2C[C@H](C)O[C@@]3(CCO[C@@H]3C)C2)c1[N+](=O)[O-] ZINC000595469722 356504610 /nfs/dbraw/zinc/50/46/10/356504610.db2.gz XENPONFZGWMPRY-PXWWUCIGSA-N 1 0 311.338 1.660 20 5 DDBDRO CNC(=O)[C@H](C)C[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000081555453 192291312 /nfs/dbraw/zinc/29/13/12/192291312.db2.gz UDQQFZHOAYQJST-LLVKDONJSA-N 1 0 322.365 1.156 20 5 DDBDRO C[C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@H]1CCO ZINC000595706887 356617032 /nfs/dbraw/zinc/61/70/32/356617032.db2.gz YEYWJSSLLYJQPZ-OCCSQVGLSA-N 1 0 309.366 1.239 20 5 DDBDRO C[C@@H]1C[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H](C)C1O ZINC000595733293 356627346 /nfs/dbraw/zinc/62/73/46/356627346.db2.gz QZURUBYMSQQQNE-VXGBXAGGSA-N 1 0 321.377 1.872 20 5 DDBDRO C[C@@H](O)[C@H]1CCC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000595768241 356644776 /nfs/dbraw/zinc/64/47/76/356644776.db2.gz FWCWDMJZQBLPDO-ZWNOBZJWSA-N 1 0 318.333 1.990 20 5 DDBDRO CC(C)NC(=O)[C@@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000595851957 356678817 /nfs/dbraw/zinc/67/88/17/356678817.db2.gz XDSVTKUGPDMXES-GFCCVEGCSA-N 1 0 309.370 1.028 20 5 DDBDRO Cc1c(C[NH3+])c(NC(=O)COc2ccccc2[N+](=O)[O-])nn1C ZINC000595961021 356724617 /nfs/dbraw/zinc/72/46/17/356724617.db2.gz HQCBKMJEFAYCMQ-UHFFFAOYSA-N 1 0 319.321 1.113 20 5 DDBDRO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000595962809 356726293 /nfs/dbraw/zinc/72/62/93/356726293.db2.gz UKCQCHLHELUUTK-GFCCVEGCSA-N 1 0 306.366 1.775 20 5 DDBDRO Nc1ccc(N2CCC[C@H](C3CC[NH2+]CC3)C2)nc1[N+](=O)[O-] ZINC000596014030 356746790 /nfs/dbraw/zinc/74/67/90/356746790.db2.gz KRMZDBBMJZKEEU-LBPRGKRZSA-N 1 0 305.382 1.788 20 5 DDBDRO C[C@H]1CN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2F)CC[NH2+]1 ZINC000596015970 356747410 /nfs/dbraw/zinc/74/74/10/356747410.db2.gz LJRHCIGTUWYHGU-NSHDSACASA-N 1 0 324.356 1.369 20 5 DDBDRO O=[N+]([O-])c1cncc(Cl)c1NCCC[NH+]1CCC(O)CC1 ZINC000596085925 356767136 /nfs/dbraw/zinc/76/71/36/356767136.db2.gz OYILZSQXWMMTPV-UHFFFAOYSA-N 1 0 314.773 1.324 20 5 DDBDRO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCOC2(C[NH2+]C2)C1 ZINC000596097178 356770762 /nfs/dbraw/zinc/77/07/62/356770762.db2.gz FVCPYFARSPEZIM-UHFFFAOYSA-N 1 0 311.725 1.063 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000237190044 202183566 /nfs/dbraw/zinc/18/35/66/202183566.db2.gz GXMGXNGTZUBHQN-MNOVXSKESA-N 1 0 307.350 1.803 20 5 DDBDRO NC(=O)c1cc(NCC2CC[NH+](C3CC3)CC2)ccc1[N+](=O)[O-] ZINC000596212702 356817085 /nfs/dbraw/zinc/81/70/85/356817085.db2.gz JFKBNMIDPBPTHP-UHFFFAOYSA-N 1 0 318.377 1.980 20 5 DDBDRO COc1cc(C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000237267787 202211449 /nfs/dbraw/zinc/21/14/49/202211449.db2.gz JFLDRBOBYYJEPY-NWDGAFQWSA-N 1 0 307.350 1.851 20 5 DDBDRO COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000597118565 357066029 /nfs/dbraw/zinc/06/60/29/357066029.db2.gz YHIQTWKPHPWEAC-INTQDDNPSA-N 1 0 318.333 1.758 20 5 DDBDRO Cc1cc(OCC(=O)N[C@@H]2CCC[C@H]2[NH+](C)C)ccc1[N+](=O)[O-] ZINC000597532273 357212109 /nfs/dbraw/zinc/21/21/09/357212109.db2.gz ICGLWHUBMOQGCB-UKRRQHHQSA-N 1 0 321.377 1.881 20 5 DDBDRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)C2 ZINC000597709975 357296350 /nfs/dbraw/zinc/29/63/50/357296350.db2.gz FLWCXBHYNRBZHP-OAHLLOKOSA-N 1 0 320.349 1.253 20 5 DDBDRO CC[NH+](CC)[C@H](C)CNc1nccc(C(=O)OC)c1[N+](=O)[O-] ZINC000598591168 357643926 /nfs/dbraw/zinc/64/39/26/357643926.db2.gz UUORCOJUSWIDBP-SNVBAGLBSA-N 1 0 310.354 1.919 20 5 DDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000599106140 357817605 /nfs/dbraw/zinc/81/76/05/357817605.db2.gz SIWULRROSSDRNZ-ONGXEEELSA-N 1 0 313.379 1.322 20 5 DDBDRO NC(=O)c1ccnc(NC[C@H]2CC[N@@H+]2C2CCCC2)c1[N+](=O)[O-] ZINC000599163073 357834726 /nfs/dbraw/zinc/83/47/26/357834726.db2.gz ATCHAGJVUDDUOQ-LLVKDONJSA-N 1 0 319.365 1.518 20 5 DDBDRO CCOC(=O)C[C@@H](O)C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000599404967 357924089 /nfs/dbraw/zinc/92/40/89/357924089.db2.gz OMUCAOFIQDTGEF-CQSZACIVSA-N 1 0 310.350 1.383 20 5 DDBDRO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000599624509 357997407 /nfs/dbraw/zinc/99/74/07/357997407.db2.gz FOQATVXTUNJZKU-QCPCCJPKSA-N 1 0 324.377 1.736 20 5 DDBDRO Cc1ccc(NC(=O)C(=O)N[C@H]2CC[C@H](C)[NH2+]C2)cc1[N+](=O)[O-] ZINC000599895459 358076782 /nfs/dbraw/zinc/07/67/82/358076782.db2.gz FYAMGLAIZOJSHB-JQWIXIFHSA-N 1 0 320.349 1.098 20 5 DDBDRO CCN(CC[NH3+])C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000599916967 358079502 /nfs/dbraw/zinc/07/95/02/358079502.db2.gz OGZRKIJRVNFLKR-UHFFFAOYSA-N 1 0 308.382 1.908 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]([N@@H+]3CC[C@H](O)C3)C2)c1 ZINC000599939517 358086427 /nfs/dbraw/zinc/08/64/27/358086427.db2.gz WCQSNWKSFXQUOO-OLZOCXBDSA-N 1 0 319.361 1.184 20 5 DDBDRO CCN(C(=O)CNc1ccccc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000599985874 358096484 /nfs/dbraw/zinc/09/64/84/358096484.db2.gz MRZHVLYIOIMQMQ-UHFFFAOYSA-N 1 0 320.393 1.949 20 5 DDBDRO C[N@@H+]1CCCC[C@H](CNC(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000600315510 358193990 /nfs/dbraw/zinc/19/39/90/358193990.db2.gz ULSKKJRMNYOBSY-LLVKDONJSA-N 1 0 306.366 1.639 20 5 DDBDRO COc1ccc(C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000237353849 202241550 /nfs/dbraw/zinc/24/15/50/202241550.db2.gz PSPULNFQYXKWHH-PWSUYJOCSA-N 1 0 307.350 1.803 20 5 DDBDRO [NH3+]C[C@H]1CN(CCn2ccc([N+](=O)[O-])n2)CC[C@@H]1C(F)(F)F ZINC000600724825 358297268 /nfs/dbraw/zinc/29/72/68/358297268.db2.gz IHNHOVYXUBTNRD-UWVGGRQHSA-N 1 0 321.303 1.250 20 5 DDBDRO COC[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C1CC1 ZINC000600851204 358330869 /nfs/dbraw/zinc/33/08/69/358330869.db2.gz WIUGHZULGFJJSS-HNNXBMFYSA-N 1 0 320.393 1.973 20 5 DDBDRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000237414424 202259070 /nfs/dbraw/zinc/25/90/70/202259070.db2.gz NBGRNBLDNZNFRB-RYUDHWBXSA-N 1 0 307.350 1.559 20 5 DDBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]CC[C@H](O)C(F)F)OCCO2 ZINC000601147349 358421032 /nfs/dbraw/zinc/42/10/32/358421032.db2.gz LEBUHNMEDSLTGT-JTQLQIEISA-N 1 0 318.276 1.472 20 5 DDBDRO C[C@H](C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)[NH+](C)C ZINC000602037104 358786927 /nfs/dbraw/zinc/78/69/27/358786927.db2.gz QJAOQAVYKJVSBM-GFCCVEGCSA-N 1 0 306.366 1.194 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@@H]([NH+]2CCCC2)C1 ZINC000602174282 358863237 /nfs/dbraw/zinc/86/32/37/358863237.db2.gz STKDRTLXSMWNRZ-TXEJJXNPSA-N 1 0 304.350 1.655 20 5 DDBDRO [NH3+]C1(C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CCC1 ZINC000262088695 283398427 /nfs/dbraw/zinc/39/84/27/283398427.db2.gz HTMCUYIYGVBVLG-UHFFFAOYSA-N 1 0 304.350 1.125 20 5 DDBDRO CSc1ccc(C(=O)NC[C@H]2COCC[NH2+]2)cc1[N+](=O)[O-] ZINC000602559153 359045348 /nfs/dbraw/zinc/04/53/48/359045348.db2.gz UKDNNTXVXOJTFY-JTQLQIEISA-N 1 0 311.363 1.035 20 5 DDBDRO C[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[C@H](C)CO ZINC000602561268 359045892 /nfs/dbraw/zinc/04/58/92/359045892.db2.gz XKMFLYUTJKKVSN-VXGBXAGGSA-N 1 0 308.382 1.565 20 5 DDBDRO [NH3+][C@H]1CCCCCN(C(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000602579973 359053731 /nfs/dbraw/zinc/05/37/31/359053731.db2.gz VMTVDWBSWDRRAA-LBPRGKRZSA-N 1 0 307.350 1.704 20 5 DDBDRO O=c1cc(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc[nH]1 ZINC000602766642 359175448 /nfs/dbraw/zinc/17/54/48/359175448.db2.gz OFAFWCUFWCYZNF-UHFFFAOYSA-N 1 0 315.333 1.413 20 5 DDBDRO Cc1cc([N+](=O)[O-])cn(C[C@@H](C[NH3+])c2ccc(F)cc2)c1=O ZINC000565652823 304082431 /nfs/dbraw/zinc/08/24/31/304082431.db2.gz ATXFKQWZAPLGDJ-GFCCVEGCSA-N 1 0 305.309 1.947 20 5 DDBDRO COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]CCn1c(C)ncc1[N+](=O)[O-] ZINC000602840414 359230184 /nfs/dbraw/zinc/23/01/84/359230184.db2.gz OCPBOVFVCNWLJW-NEPJUHHUSA-N 1 0 310.354 1.421 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000602797806 359199282 /nfs/dbraw/zinc/19/92/82/359199282.db2.gz DOBVEGQYLQRIPK-CYBMUJFWSA-N 1 0 319.369 1.103 20 5 DDBDRO COC(=O)CC1([NH2+]CCn2c(C)ncc2[N+](=O)[O-])CCCC1 ZINC000602823049 359217206 /nfs/dbraw/zinc/21/72/06/359217206.db2.gz VHKZNJGCRNTLTC-UHFFFAOYSA-N 1 0 310.354 1.565 20 5 DDBDRO CO[C@@H]1CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CCO1 ZINC000602897033 359279337 /nfs/dbraw/zinc/27/93/37/359279337.db2.gz JDEAIFQNPVEVDP-HNNXBMFYSA-N 1 0 323.349 1.537 20 5 DDBDRO Cn1cncc1CCC[NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602961465 359323866 /nfs/dbraw/zinc/32/38/66/359323866.db2.gz AEYPQKGSGRKXGG-INIZCTEOSA-N 1 0 318.377 1.758 20 5 DDBDRO O=[N+]([O-])c1ccc(CCn2cc(C[C@H]3CCC[NH2+]C3)nn2)cc1 ZINC000603193703 359470635 /nfs/dbraw/zinc/47/06/35/359470635.db2.gz BNMRTONIJLUOJV-CQSZACIVSA-N 1 0 315.377 1.971 20 5 DDBDRO CCCC[NH+]1CCC(NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000187030503 200049824 /nfs/dbraw/zinc/04/98/24/200049824.db2.gz FGEDHLDIXSWEDS-UHFFFAOYSA-N 1 0 322.365 1.690 20 5 DDBDRO Cn1cc(CC[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)cn1 ZINC000604532831 359762196 /nfs/dbraw/zinc/76/21/96/359762196.db2.gz OHPFHOLZWVPKKX-UHFFFAOYSA-N 1 0 318.333 1.432 20 5 DDBDRO Cc1ccc(NCCCNC(=O)[C@@H]2CC[C@@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000237667761 202323372 /nfs/dbraw/zinc/32/33/72/202323372.db2.gz FRINTXWGLPYQNC-CHWSQXEVSA-N 1 0 320.393 1.949 20 5 DDBDRO CCN(CCC[NH+](C)C)C(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000276169333 212710159 /nfs/dbraw/zinc/71/01/59/212710159.db2.gz FSASKYVKOJDQLC-UHFFFAOYSA-N 1 0 311.386 1.290 20 5 DDBDRO CCOc1cc(C(=O)N2CC[NH2+][C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000188478196 200254050 /nfs/dbraw/zinc/25/40/50/200254050.db2.gz PZLFCTVYHPFVCD-SNVBAGLBSA-N 1 0 323.349 1.436 20 5 DDBDRO O=C(C[NH+]1CCCC1)N1CCN(c2ccsc2[N+](=O)[O-])CC1 ZINC000609132835 360262625 /nfs/dbraw/zinc/26/26/25/360262625.db2.gz PXFZLHZLMJKKSG-UHFFFAOYSA-N 1 0 324.406 1.401 20 5 DDBDRO COc1ccc(C(=O)NCC2([NH+](C)C)CCC2)cc1[N+](=O)[O-] ZINC000276082561 212666426 /nfs/dbraw/zinc/66/64/26/212666426.db2.gz XEYFXNPOEFLSNA-UHFFFAOYSA-N 1 0 307.350 1.818 20 5 DDBDRO Cc1cnc(N[C@H]2CCN(C3CC[NH+](C)CC3)C2)c([N+](=O)[O-])c1 ZINC000610284014 360408528 /nfs/dbraw/zinc/40/85/28/360408528.db2.gz YNDDSZDYEABKAX-ZDUSSCGKSA-N 1 0 319.409 1.879 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(N2CC[NH+](C(C)(C)CO)CC2)c1 ZINC000610575763 360473390 /nfs/dbraw/zinc/47/33/90/360473390.db2.gz NPDOOGRCSIOYLZ-UHFFFAOYSA-N 1 0 309.366 1.496 20 5 DDBDRO CC[N@@H+]1C[C@H](C)N(C(=O)Nc2ccncc2[N+](=O)[O-])C[C@H]1C ZINC000359027168 299311057 /nfs/dbraw/zinc/31/10/57/299311057.db2.gz NAHPDXIYIUGYBF-MNOVXSKESA-N 1 0 307.354 1.358 20 5 DDBDRO CC(C)(CO)[NH+]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000611272230 360686015 /nfs/dbraw/zinc/68/60/15/360686015.db2.gz MUBMYJARYBZJLP-FNORWQNLSA-N 1 0 319.405 1.997 20 5 DDBDRO CCOC(=O)C[C@H](O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000611237144 360672743 /nfs/dbraw/zinc/67/27/43/360672743.db2.gz ABZVBMOEDKMAOV-HNNXBMFYSA-N 1 0 322.361 1.873 20 5 DDBDRO CCC[C@H]1C[NH2+]CCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000359040929 299314957 /nfs/dbraw/zinc/31/49/57/299314957.db2.gz ITPJNAQNRXZWJT-AWEZNQCLSA-N 1 0 320.393 1.916 20 5 DDBDRO CC[N@@H+]1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000612030668 360895064 /nfs/dbraw/zinc/89/50/64/360895064.db2.gz WIWJMUGNOLWRJS-KGLIPLIRSA-N 1 0 323.393 1.361 20 5 DDBDRO CCN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000612794538 361147476 /nfs/dbraw/zinc/14/74/76/361147476.db2.gz SNHJJEZADFKIHE-NSHDSACASA-N 1 0 313.379 1.310 20 5 DDBDRO Cc1ccc(C)c(S(=O)(=O)NC[C@H]2CCC[NH2+]2)c1[N+](=O)[O-] ZINC000193257780 201014158 /nfs/dbraw/zinc/01/41/58/201014158.db2.gz LDNSEDYJGHPOKY-LLVKDONJSA-N 1 0 313.379 1.242 20 5 DDBDRO COc1ccc(OCC[NH2+][C@@H]2C(=O)NCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000193634116 201091966 /nfs/dbraw/zinc/09/19/66/201091966.db2.gz JHHADVMOVSGLBB-HZMBPMFUSA-N 1 0 323.349 1.096 20 5 DDBDRO CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000194632428 201265998 /nfs/dbraw/zinc/26/59/98/201265998.db2.gz WTYVKCHSCUIKMR-GFCCVEGCSA-N 1 0 307.350 1.818 20 5 DDBDRO O=C1C[C@]2(CC[N@@H+](C/C=C\c3ccccc3[N+](=O)[O-])C2)CN1 ZINC000619077475 363888174 /nfs/dbraw/zinc/88/81/74/363888174.db2.gz HKOHEUFVBHZWMF-OICCZTGUSA-N 1 0 301.346 1.820 20 5 DDBDRO Cc1c(C(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)cccc1[N+](=O)[O-] ZINC000619873381 364170399 /nfs/dbraw/zinc/17/03/99/364170399.db2.gz IIIDYFHGYCPEHA-CYBMUJFWSA-N 1 0 318.377 1.023 20 5 DDBDRO C[NH+](C)C1CC(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000619872610 364170820 /nfs/dbraw/zinc/17/08/20/364170820.db2.gz CHSLRWVJERYLMB-UHFFFAOYSA-N 1 0 316.361 1.827 20 5 DDBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000349898035 284099094 /nfs/dbraw/zinc/09/90/94/284099094.db2.gz RWENRSGTFMYDGE-TXEJJXNPSA-N 1 0 323.397 1.806 20 5 DDBDRO COc1cc(C(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000261627488 203083736 /nfs/dbraw/zinc/08/37/36/203083736.db2.gz BQYNADKYPOQTPC-ONGXEEELSA-N 1 0 323.349 1.421 20 5 DDBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])cnc1N)[N@@H+]1CCCC[C@H]1C ZINC000350014787 284132170 /nfs/dbraw/zinc/13/21/70/284132170.db2.gz QMUXUGYLPUOYTD-MNOVXSKESA-N 1 0 321.381 1.565 20 5 DDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCC[C@H]1CC[NH2+]C1 ZINC000262577855 203336703 /nfs/dbraw/zinc/33/67/03/203336703.db2.gz KJZGHEYGXJBVDF-SNVBAGLBSA-N 1 0 311.769 1.907 20 5 DDBDRO COc1ccc(C(=O)N[C@@H]2CC[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000093996691 193337328 /nfs/dbraw/zinc/33/73/28/193337328.db2.gz DTKKLVSLAPYKEL-VXGBXAGGSA-N 1 0 307.350 1.816 20 5 DDBDRO CN(CC[NH+](C)C)C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000359360159 299422180 /nfs/dbraw/zinc/42/21/80/299422180.db2.gz LFHQLXVESZSYGU-UHFFFAOYSA-N 1 0 317.292 1.830 20 5 DDBDRO C[C@@H](CC[NH+](C)C)NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000264864806 204221396 /nfs/dbraw/zinc/22/13/96/204221396.db2.gz FSMLWIYLNGAXKI-LBPRGKRZSA-N 1 0 309.366 1.820 20 5 DDBDRO NC(=O)[C@H](Cc1ccccc1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000351340941 284319757 /nfs/dbraw/zinc/31/97/57/284319757.db2.gz PBKCMJSOMWSMTM-INIZCTEOSA-N 1 0 313.357 1.824 20 5 DDBDRO Cc1ccc(S(=O)(=O)N[C@@H](C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000265968194 205007339 /nfs/dbraw/zinc/00/73/39/205007339.db2.gz AFFABXONRLPBLN-NSHDSACASA-N 1 0 315.395 1.522 20 5 DDBDRO CC[C@@H]1CN(c2ccc([N+](=O)[O-])c(OC)c2)CC[N@@H+]1C[C@H](C)O ZINC000266392091 205314463 /nfs/dbraw/zinc/31/44/63/205314463.db2.gz OEAXAAZFFRTDEK-QWHCGFSZSA-N 1 0 323.393 1.885 20 5 DDBDRO COc1cc(N2CCO[C@H](C[NH+](C)C)C2)c(F)cc1[N+](=O)[O-] ZINC000159909637 197372789 /nfs/dbraw/zinc/37/27/89/197372789.db2.gz FWMHWGLFDPGMPO-SNVBAGLBSA-N 1 0 313.329 1.509 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@@H]1[C@H]1CCCOC1 ZINC000566970894 304190740 /nfs/dbraw/zinc/19/07/40/304190740.db2.gz FTBPAXBKLFNIOO-DZGCQCFKSA-N 1 0 321.377 1.648 20 5 DDBDRO C[C@@H](CCCC[NH3+])Nc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000336848316 249255470 /nfs/dbraw/zinc/25/54/70/249255470.db2.gz IZHNYHLWFOJPNY-JTQLQIEISA-N 1 0 315.395 1.928 20 5 DDBDRO COCC[N@H+](C)CCCNC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000041423200 183190776 /nfs/dbraw/zinc/19/07/76/183190776.db2.gz YQTYMTCHQVOUQL-UHFFFAOYSA-N 1 0 309.366 1.601 20 5 DDBDRO O=C(CC[NH2+][C@H]1CCN(C2CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000579582594 422794503 /nfs/dbraw/zinc/79/45/03/422794503.db2.gz HFLNZLLSFZPNDX-LBPRGKRZSA-N 1 0 318.377 1.750 20 5 DDBDRO C[C@@H](CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)[NH+](C)C ZINC000339056440 250273069 /nfs/dbraw/zinc/27/30/69/250273069.db2.gz LLYISNUIKUVIPG-NSHDSACASA-N 1 0 317.349 1.460 20 5 DDBDRO CC(C)[C@@H](C(=O)NCCNc1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000106408612 194209344 /nfs/dbraw/zinc/20/93/44/194209344.db2.gz WLIKWYUTQKXVRZ-AWEZNQCLSA-N 1 0 308.382 1.709 20 5 DDBDRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000285096836 218289878 /nfs/dbraw/zinc/28/98/78/218289878.db2.gz NPFDZBXDMHAJGB-LBPRGKRZSA-N 1 0 317.349 1.221 20 5 DDBDRO COc1cc(N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000285209727 218334850 /nfs/dbraw/zinc/33/48/50/218334850.db2.gz WYZSXQOYXVBSFE-KGLIPLIRSA-N 1 0 307.350 1.513 20 5 DDBDRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000285233048 218343196 /nfs/dbraw/zinc/34/31/96/218343196.db2.gz YAILYDZEXMKISQ-GHMZBOCLSA-N 1 0 323.397 1.804 20 5 DDBDRO C[C@H]([NH3+])C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000110647988 194346228 /nfs/dbraw/zinc/34/62/28/194346228.db2.gz DPCXGGOILRVTFV-JTQLQIEISA-N 1 0 313.379 1.343 20 5 DDBDRO C[NH+](C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])[nH]1)Cc1ccccc1 ZINC000340467450 251070634 /nfs/dbraw/zinc/07/06/34/251070634.db2.gz PFMMSGWLGPCUTM-ZDUSSCGKSA-N 1 0 316.361 1.826 20 5 DDBDRO O=[N+]([O-])c1cc(CN2CCN(CC[NH+]3CCCC3)CC2)cs1 ZINC000056493498 184013759 /nfs/dbraw/zinc/01/37/59/184013759.db2.gz USKBAMRYYGCHPV-UHFFFAOYSA-N 1 0 324.450 1.870 20 5 DDBDRO CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000056197225 184006832 /nfs/dbraw/zinc/00/68/32/184006832.db2.gz JPLGOUNJJVOJPT-UWVGGRQHSA-N 1 0 308.338 1.480 20 5 DDBDRO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])[nH]1 ZINC000340590701 251127807 /nfs/dbraw/zinc/12/78/07/251127807.db2.gz GIXNUUIIVGICJX-CYBMUJFWSA-N 1 0 314.345 1.927 20 5 DDBDRO Nc1ccc(C(=O)NCC[NH+]2CCCCCC2)cc1[N+](=O)[O-] ZINC000059403101 184138543 /nfs/dbraw/zinc/13/85/43/184138543.db2.gz CINAZGFQRRKPAY-UHFFFAOYSA-N 1 0 306.366 1.783 20 5 DDBDRO C[C@H]1CN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC[C@H]1[NH3+] ZINC000269175278 207296449 /nfs/dbraw/zinc/29/64/49/207296449.db2.gz BMJWXEPDFSPFTO-GZMMTYOYSA-N 1 0 303.322 1.280 20 5 DDBDRO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000286183478 218835274 /nfs/dbraw/zinc/83/52/74/218835274.db2.gz RMHDNWKLRNCMEP-KKFJDGPESA-N 1 0 322.321 1.619 20 5 DDBDRO O=[N+]([O-])c1ccc(-c2noc(N3CC[C@@H]4[NH2+]CC[C@@H]4C3)n2)cc1 ZINC000420265003 285106866 /nfs/dbraw/zinc/10/68/66/285106866.db2.gz VNOIHXWKDJTVCQ-YPMHNXCESA-N 1 0 315.333 1.833 20 5 DDBDRO C[NH2+]C[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000158969756 197314777 /nfs/dbraw/zinc/31/47/77/197314777.db2.gz GVKCFIJKNTUNJU-NSHDSACASA-N 1 0 307.350 1.675 20 5 DDBDRO CCc1ccc(C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000158342907 197264665 /nfs/dbraw/zinc/26/46/65/197264665.db2.gz ZFLUPUTWCUGMQX-MRXNPFEDSA-N 1 0 303.362 1.983 20 5 DDBDRO O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000158295102 197260535 /nfs/dbraw/zinc/26/05/35/197260535.db2.gz JPGIZBSLGMEJLA-CQSZACIVSA-N 1 0 320.305 1.329 20 5 DDBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+][C@@H]1COC[C@H]1O ZINC000295934508 285162644 /nfs/dbraw/zinc/16/26/44/285162644.db2.gz KZIZCKWLRDYPBH-UZMCECQYSA-N 1 0 306.362 1.655 20 5 DDBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccc2c(c1)OCO2 ZINC000157437548 197187185 /nfs/dbraw/zinc/18/71/85/197187185.db2.gz NDJMQWKPDBQKPL-UHFFFAOYSA-N 1 0 304.306 1.652 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000415498168 533139348 /nfs/dbraw/zinc/13/93/48/533139348.db2.gz IOQQENIUVLYUBN-MNOVXSKESA-N 1 0 320.349 1.677 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000090553168 285221191 /nfs/dbraw/zinc/22/11/91/285221191.db2.gz OEXYANWFTKDWMP-CQSZACIVSA-N 1 0 302.334 1.922 20 5 DDBDRO O=C(C[NH2+][C@H](CO)C1CCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000289597151 221093271 /nfs/dbraw/zinc/09/32/71/221093271.db2.gz RGRSBXDJZJVOSF-CYBMUJFWSA-N 1 0 307.350 1.674 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CN[C@H](C)C[C@H]1COCC[NH2+]1 ZINC000422711137 533222390 /nfs/dbraw/zinc/22/23/90/533222390.db2.gz GRAUZRNZMPFUIJ-YPMHNXCESA-N 1 0 309.366 1.460 20 5 DDBDRO Cn1cnc(CC[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000414130156 224302650 /nfs/dbraw/zinc/30/26/50/224302650.db2.gz WOOVTDOBDSNDOQ-KBPBESRZSA-N 1 0 318.381 1.841 20 5 DDBDRO Cc1ccc(C[NH2+]CCS(=O)(=O)C(C)C)cc1[N+](=O)[O-] ZINC000289982963 221360160 /nfs/dbraw/zinc/36/01/60/221360160.db2.gz BRWCLZUFCUHTBQ-UHFFFAOYSA-N 1 0 300.380 1.816 20 5 DDBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@H](CO)[C@H]1CCCOC1 ZINC000414568976 224354600 /nfs/dbraw/zinc/35/46/00/224354600.db2.gz ZDXJJPZZOIKQIH-DLRQWSEHSA-N 1 0 306.362 1.985 20 5 DDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC([NH3+])CC1 ZINC000122335609 195436448 /nfs/dbraw/zinc/43/64/48/195436448.db2.gz YMJKJNPKBQMVQY-UHFFFAOYSA-N 1 0 313.379 1.269 20 5 DDBDRO COCC[N@H+](C)CCCNC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000490640128 533312783 /nfs/dbraw/zinc/31/27/83/533312783.db2.gz RSVOSTGBPXYDBS-HJWRWDBZSA-N 1 0 321.377 1.693 20 5 DDBDRO COc1ccc(CNC(=O)N2CC[NH2+][C@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000417175994 533602551 /nfs/dbraw/zinc/60/25/51/533602551.db2.gz BRVNSOIQOAPCKG-GHMZBOCLSA-N 1 0 322.365 1.495 20 5 DDBDRO COc1ccc(CNC(=O)N2CC[NH2+][C@@H](C)C2)cc1[N+](=O)[O-] ZINC000417201593 533603121 /nfs/dbraw/zinc/60/31/21/533603121.db2.gz WRXNWHFTKHQNFG-JTQLQIEISA-N 1 0 308.338 1.107 20 5 DDBDRO COc1cc(C(=O)N[C@@H]2CCC[C@@H]2C[NH3+])cc([N+](=O)[O-])c1C ZINC000422849234 533547881 /nfs/dbraw/zinc/54/78/81/533547881.db2.gz BQITWYUBYAYYCJ-ZYHUDNBSSA-N 1 0 307.350 1.769 20 5 DDBDRO CC[NH+](CC)CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593525058 397382075 /nfs/dbraw/zinc/38/20/75/397382075.db2.gz ZMLUVFSBBYWRNZ-UHFFFAOYSA-N 1 0 316.383 1.000 20 5 DDBDRO COc1c(C(=O)NCCC[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000353676939 285864747 /nfs/dbraw/zinc/86/47/47/285864747.db2.gz PTCOWQWHZFLMAB-UHFFFAOYSA-N 1 0 307.350 1.819 20 5 DDBDRO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(c2ncccc2[N+](=O)[O-])C1 ZINC000286328008 286095324 /nfs/dbraw/zinc/09/53/24/286095324.db2.gz JQFWFDWFEHZOEI-STQMWFEESA-N 1 0 306.366 1.679 20 5 DDBDRO C[NH+](C)C[C@@H]1CCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C1 ZINC000569508994 304359553 /nfs/dbraw/zinc/35/95/53/304359553.db2.gz SYNKZVQZWRTKBH-JTQLQIEISA-N 1 0 317.349 1.632 20 5 DDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1C[C@@H]([NH+](C)C)[C@@H](SC)C1 ZINC000361064037 299797450 /nfs/dbraw/zinc/79/74/50/299797450.db2.gz YSMGWPJZMYDNST-MNOVXSKESA-N 1 0 313.427 1.601 20 5 DDBDRO Cc1c(NC(=O)CC[N@@H+]2CCC[C@H]2C(N)=O)cccc1[N+](=O)[O-] ZINC000068369204 406636952 /nfs/dbraw/zinc/63/69/52/406636952.db2.gz PAINXGIISWQYDO-ZDUSSCGKSA-N 1 0 320.349 1.182 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000044502426 407025592 /nfs/dbraw/zinc/02/55/92/407025592.db2.gz FVWUMYYEHQFAAL-LLVKDONJSA-N 1 0 313.379 1.181 20 5 DDBDRO COc1ccc(C[NH2+][C@@H](C)CS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000078640146 407037620 /nfs/dbraw/zinc/03/76/20/407037620.db2.gz ZDRTWCWOLWQSJP-VIFPVBQESA-N 1 0 302.352 1.126 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@H]2CCC[NH2+]2)cc1C ZINC000053254420 407165605 /nfs/dbraw/zinc/16/56/05/407165605.db2.gz XBWGGGWTXYAYOR-LLVKDONJSA-N 1 0 313.379 1.242 20 5 DDBDRO C[C@@]1(O)CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000123963718 407344442 /nfs/dbraw/zinc/34/44/42/407344442.db2.gz KFCVBOGQZZBZII-OAHLLOKOSA-N 1 0 307.350 1.770 20 5 DDBDRO Cc1c(NC(=O)CC[N@@H+](C)[C@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000106882102 407365226 /nfs/dbraw/zinc/36/52/26/407365226.db2.gz IJFCKPXCOALEPL-LBPRGKRZSA-N 1 0 307.350 1.953 20 5 DDBDRO COCCC[N@H+](C)CCNC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000125495934 407389758 /nfs/dbraw/zinc/38/97/58/407389758.db2.gz PITQHNCICPCWRS-UHFFFAOYSA-N 1 0 323.393 1.530 20 5 DDBDRO C[C@H]1C[NH2+]CCN1C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000126455763 407413672 /nfs/dbraw/zinc/41/36/72/407413672.db2.gz KYZXKEJRYWBPJT-LBPRGKRZSA-N 1 0 306.366 1.607 20 5 DDBDRO O=C(N[C@H]1CC[NH2+]C1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000127117823 407428299 /nfs/dbraw/zinc/42/82/99/407428299.db2.gz HEOGAZDSNKTNCX-JTQLQIEISA-N 1 0 318.358 1.810 20 5 DDBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)CCN1CCOCC1 ZINC000112407458 407428900 /nfs/dbraw/zinc/42/89/00/407428900.db2.gz DVERZKQONGQTAZ-UHFFFAOYSA-N 1 0 309.366 1.238 20 5 DDBDRO O=C(Cn1ccc([N+](=O)[O-])n1)NCCC[NH+]1CCCCCC1 ZINC000127409702 407436362 /nfs/dbraw/zinc/43/63/62/407436362.db2.gz KEDSGIHLXWFAOW-UHFFFAOYSA-N 1 0 309.370 1.174 20 5 DDBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC([NH+](C)C)CC1 ZINC000128001899 407488658 /nfs/dbraw/zinc/48/86/58/407488658.db2.gz ZWEBYVLGNXMRSO-LBPRGKRZSA-N 1 0 320.393 1.948 20 5 DDBDRO COc1ccc(C(=O)N2CCC3(C2)CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000261613750 407553660 /nfs/dbraw/zinc/55/36/60/407553660.db2.gz CKBQAMCOLHRJNC-UHFFFAOYSA-N 1 0 319.361 1.819 20 5 DDBDRO Cc1cc(NCCC[N@@H+]2CCC[C@H]2C(N)=O)ccc1[N+](=O)[O-] ZINC000271375864 407659755 /nfs/dbraw/zinc/65/97/55/407659755.db2.gz WPFUZZUGILPNHX-AWEZNQCLSA-N 1 0 306.366 1.655 20 5 DDBDRO C[C@H]([NH3+])[C@@H]1CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000261778993 407614106 /nfs/dbraw/zinc/61/41/06/407614106.db2.gz WSBAVBLLEQVHFI-DTWKUNHWSA-N 1 0 317.342 1.092 20 5 DDBDRO C[NH2+][C@@H]1CCCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000261791357 407617362 /nfs/dbraw/zinc/61/73/62/407617362.db2.gz QLMIODTUKDCGAA-GFCCVEGCSA-N 1 0 317.349 1.829 20 5 DDBDRO COc1cc(CN2CC[C@](C)(C[NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000261817321 407624905 /nfs/dbraw/zinc/62/49/05/407624905.db2.gz XLFJLCYWLRJQDH-OAHLLOKOSA-N 1 0 309.366 1.783 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000261895842 407661121 /nfs/dbraw/zinc/66/11/21/407661121.db2.gz XSWAXHHFRRWHID-LLVKDONJSA-N 1 0 307.350 1.609 20 5 DDBDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000115432796 407681631 /nfs/dbraw/zinc/68/16/31/407681631.db2.gz NPEXMZSAIMIWHV-ZDUSSCGKSA-N 1 0 321.377 1.774 20 5 DDBDRO CCc1ccc(C(=O)N(CCOC)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000266947537 407685856 /nfs/dbraw/zinc/68/58/56/407685856.db2.gz QZEVEXVWIDNATR-UHFFFAOYSA-N 1 0 323.393 1.807 20 5 DDBDRO [NH3+][C@@H]1CCC[C@H]2CN(CC(=O)Nc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000261955756 407689520 /nfs/dbraw/zinc/68/95/20/407689520.db2.gz XCODFOJRLIKNIN-YNEHKIRRSA-N 1 0 318.377 1.593 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)CN2CCc3c(F)cccc3C2)c1 ZINC000152912811 407713268 /nfs/dbraw/zinc/71/32/68/407713268.db2.gz DBQKFHXHLXHPHO-CYBMUJFWSA-N 1 0 320.324 1.350 20 5 DDBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](CCn3ccnc3)C2)nc1 ZINC000131884085 407756572 /nfs/dbraw/zinc/75/65/72/407756572.db2.gz WXNDUIAWACCLGF-LBPRGKRZSA-N 1 0 302.338 1.373 20 5 DDBDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000186692564 407743386 /nfs/dbraw/zinc/74/33/86/407743386.db2.gz CNGILVBRZRAGIB-NOZJJQNGSA-N 1 0 311.769 1.905 20 5 DDBDRO CC(C)[C@](C)(C[NH3+])NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000236673237 407745576 /nfs/dbraw/zinc/74/55/76/407745576.db2.gz OLBWIPJUNHXECY-AWEZNQCLSA-N 1 0 305.338 1.574 20 5 DDBDRO COc1cc(C(=O)N(C)CC[NH+](C)C)cc([N+](=O)[O-])c1OC ZINC000267094700 407747773 /nfs/dbraw/zinc/74/77/73/407747773.db2.gz JGCYCWMENAYOGT-UHFFFAOYSA-N 1 0 311.338 1.246 20 5 DDBDRO C[NH+](C)CCCOC1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000267229514 407799708 /nfs/dbraw/zinc/79/97/08/407799708.db2.gz VIFCJLYAJUSMIB-UHFFFAOYSA-N 1 0 308.382 1.927 20 5 DDBDRO C[C@H]1C[C@H]([NH3+])CCN1C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000237592720 407830332 /nfs/dbraw/zinc/83/03/32/407830332.db2.gz VYJITDYZRYXCSA-NWDGAFQWSA-N 1 0 306.366 1.369 20 5 DDBDRO Cc1n[nH]c(C(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000272242301 407830327 /nfs/dbraw/zinc/83/03/27/407830327.db2.gz XUHORKZOQHLCMZ-JTQLQIEISA-N 1 0 309.370 1.429 20 5 DDBDRO NC(=O)c1ccc(C[N@@H+]2CC[C@@]3(CCOC3)C2)c([N+](=O)[O-])c1 ZINC000153599529 407856875 /nfs/dbraw/zinc/85/68/75/407856875.db2.gz XZLWSHYLQXHSPL-OAHLLOKOSA-N 1 0 305.334 1.306 20 5 DDBDRO C[NH2+][C@@H]1CCCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])C1 ZINC000133626653 407866382 /nfs/dbraw/zinc/86/63/82/407866382.db2.gz MKFGKMNEIQPULX-GFCCVEGCSA-N 1 0 306.366 1.241 20 5 DDBDRO C[N@H+](CCOCC1CC1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000268118591 407899257 /nfs/dbraw/zinc/89/92/57/407899257.db2.gz NKVCYIWJGIUSIX-OAHLLOKOSA-N 1 0 324.377 1.693 20 5 DDBDRO C[C@@H](CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)C1CC1 ZINC000118129259 407899665 /nfs/dbraw/zinc/89/96/65/407899665.db2.gz HVSPGFSHJGWPNY-JTQLQIEISA-N 1 0 320.349 1.132 20 5 DDBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000268151151 407917107 /nfs/dbraw/zinc/91/71/07/407917107.db2.gz UQUPASLZXMTSEW-XHDPSFHLSA-N 1 0 318.377 1.877 20 5 DDBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2nn(C)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000272467538 407934155 /nfs/dbraw/zinc/93/41/55/407934155.db2.gz WIABJMJPDXLUSI-MNOVXSKESA-N 1 0 309.370 1.131 20 5 DDBDRO CC(C)(C)CC[NH+]1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000174831629 407995522 /nfs/dbraw/zinc/99/55/22/407995522.db2.gz SEILLRZBEZEPDV-UHFFFAOYSA-N 1 0 309.414 1.845 20 5 DDBDRO Cc1nn(CCC(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000272604631 408004227 /nfs/dbraw/zinc/00/42/27/408004227.db2.gz RJKNJPLYXNFJSL-ZJUUUORDSA-N 1 0 309.370 1.007 20 5 DDBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC[C@@H]([NH+](C)C)C1 ZINC000245809718 408070790 /nfs/dbraw/zinc/07/07/90/408070790.db2.gz OGQIRIHORVTNAE-CHWSQXEVSA-N 1 0 320.393 1.948 20 5 DDBDRO C[N@@H+]1CCN(CCn2cc([N+](=O)[O-])cn2)[C@@H](c2ccccc2)C1 ZINC000245838673 408074970 /nfs/dbraw/zinc/07/49/70/408074970.db2.gz JFRZUXAAKHHOBU-MRXNPFEDSA-N 1 0 315.377 1.780 20 5 DDBDRO C[C@H](CNC(=O)c1c([N+](=O)[O-])cnn1C)[N@@H+]1CCC[C@H](C)C1 ZINC000245853958 408078251 /nfs/dbraw/zinc/07/82/51/408078251.db2.gz DGUGWEBIWSYPPM-WDEREUQCSA-N 1 0 309.370 1.179 20 5 DDBDRO COc1ccc(CNC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000269268949 408243536 /nfs/dbraw/zinc/24/35/36/408243536.db2.gz WFAVQZDJYKUVPD-VXGBXAGGSA-N 1 0 307.350 1.737 20 5 DDBDRO C[NH+](C)C[C@H]1CCCN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000263938632 408321886 /nfs/dbraw/zinc/32/18/86/408321886.db2.gz YNMYFEMPKYYSKX-CYBMUJFWSA-N 1 0 307.350 1.526 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@H](C)CO ZINC000131843119 162024631 /nfs/dbraw/zinc/02/46/31/162024631.db2.gz HYFSYQVTKTYMEF-SNVBAGLBSA-N 1 0 311.338 1.245 20 5 DDBDRO C[C@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@@H]1CCCO1 ZINC000183142279 408335620 /nfs/dbraw/zinc/33/56/20/408335620.db2.gz HWPRLAGSQXNNNQ-NHYWBVRUSA-N 1 0 319.361 1.641 20 5 DDBDRO Cc1c(NC(=O)CC[N@H+]2C[C@@H](C)[C@H](CO)C2)cccc1[N+](=O)[O-] ZINC000190896228 408337597 /nfs/dbraw/zinc/33/75/97/408337597.db2.gz UQBLICXTDQIMAN-YPMHNXCESA-N 1 0 321.377 1.792 20 5 DDBDRO O=C(CNc1ccccc1[N+](=O)[O-])N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000171452306 162219678 /nfs/dbraw/zinc/21/96/78/162219678.db2.gz AXDPZLCWSNWFMC-CYBMUJFWSA-N 1 0 318.377 1.703 20 5 DDBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000247320480 408450443 /nfs/dbraw/zinc/45/04/43/408450443.db2.gz SIUOQMCXZLWAGP-WCQYABFASA-N 1 0 318.377 1.733 20 5 DDBDRO COC[C@@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000183485935 408424776 /nfs/dbraw/zinc/42/47/76/408424776.db2.gz NXTMXHZJXODITP-QWHCGFSZSA-N 1 0 310.350 1.349 20 5 DDBDRO COCC[N@H+](C)CCCNC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000183576400 408444259 /nfs/dbraw/zinc/44/42/59/408444259.db2.gz IACFOOXPKRGZNF-UHFFFAOYSA-N 1 0 311.342 1.080 20 5 DDBDRO COCC[N@@H+]1CC[C@H](NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000264438278 408487973 /nfs/dbraw/zinc/48/79/73/408487973.db2.gz BJYCJJTYMZGVIA-GBXSZLQWSA-N 1 0 319.361 1.445 20 5 DDBDRO C[C@@H]1C[C@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)C[N@@H+]1C1CC1 ZINC000177087980 408515765 /nfs/dbraw/zinc/51/57/65/408515765.db2.gz LOLMANGLGOBSRZ-NEPJUHHUSA-N 1 0 319.361 1.715 20 5 DDBDRO C[C@H]1CCC[C@H](CO)[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000270421239 408529608 /nfs/dbraw/zinc/52/96/08/408529608.db2.gz GDVVUGMASBDFLJ-GXFFZTMASA-N 1 0 307.350 1.429 20 5 DDBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cccc([N+](=O)[O-])c3N)CC[C@H]21 ZINC000248130205 408537273 /nfs/dbraw/zinc/53/72/73/408537273.db2.gz OJFLDAZPXYRQNP-WCQYABFASA-N 1 0 318.377 1.733 20 5 DDBDRO C[NH2+]C[C@H](C)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000160918057 408538931 /nfs/dbraw/zinc/53/89/31/408538931.db2.gz PNXKJOHTJMFGGM-LBPRGKRZSA-N 1 0 321.377 1.820 20 5 DDBDRO CC[N@@H+]1CCC[C@@H](NC(=O)c2cccc(OC)c2[N+](=O)[O-])C1 ZINC000192528862 408605506 /nfs/dbraw/zinc/60/55/06/408605506.db2.gz NSUXNQQTATYPGL-LLVKDONJSA-N 1 0 307.350 1.818 20 5 DDBDRO Cc1ccc(NCCCNC(=O)[C@H]([NH3+])C(C)C)c([N+](=O)[O-])c1 ZINC000161543162 408615891 /nfs/dbraw/zinc/61/58/91/408615891.db2.gz CKLCITALLPJZQJ-CQSZACIVSA-N 1 0 308.382 1.805 20 5 DDBDRO C[C@@H]1C[C@@H](O)C[C@H](C)[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248697399 408617938 /nfs/dbraw/zinc/61/79/38/408617938.db2.gz ARTFGOJESFOSBV-CRWXNKLISA-N 1 0 324.377 1.568 20 5 DDBDRO CC(C)[C@H](CCO)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000161700799 408628683 /nfs/dbraw/zinc/62/86/83/408628683.db2.gz SKLCGQDDAZGQMS-ZFWWWQNUSA-N 1 0 312.366 1.331 20 5 DDBDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000177491605 408636209 /nfs/dbraw/zinc/63/62/09/408636209.db2.gz ABDLFMNWNOACRU-JSGCOSHPSA-N 1 0 321.377 1.963 20 5 DDBDRO CC(C)[C@H](CCO)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000161907110 408649483 /nfs/dbraw/zinc/64/94/83/408649483.db2.gz KDRBCKMTPFQDRL-AWEZNQCLSA-N 1 0 309.366 1.920 20 5 DDBDRO C[C@@H](O)C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)[C@H](C)CO ZINC000248955378 408666904 /nfs/dbraw/zinc/66/69/04/408666904.db2.gz QCZUFQJSBNLLME-CHWSQXEVSA-N 1 0 312.366 1.427 20 5 DDBDRO Cn1cc([N+](=O)[O-])c(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)n1 ZINC000270785364 408681536 /nfs/dbraw/zinc/68/15/36/408681536.db2.gz VHMFNBNYLIEAAF-VIFPVBQESA-N 1 0 323.378 1.423 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C[C@H](C)O)C[C@H]1C ZINC000251947652 408790519 /nfs/dbraw/zinc/79/05/19/408790519.db2.gz UJNKHPMKFFUXTK-OLZOCXBDSA-N 1 0 321.377 1.430 20 5 DDBDRO O=C(CC[NH+]1CCC(O)CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000185173354 408774672 /nfs/dbraw/zinc/77/46/72/408774672.db2.gz HCJBHWLVIMMROB-UHFFFAOYSA-N 1 0 311.313 1.519 20 5 DDBDRO CCN(CCC[NH+](C)C)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000276195785 408825102 /nfs/dbraw/zinc/82/51/02/408825102.db2.gz JIPKZZHOWXJSFB-UHFFFAOYSA-N 1 0 309.366 1.774 20 5 DDBDRO Cc1noc([C@H]2CCCN2CCn2cc([N+](=O)[O-])ccc2=O)n1 ZINC000285696899 408844198 /nfs/dbraw/zinc/84/41/98/408844198.db2.gz OVDRSYDIQLZEPH-GFCCVEGCSA-N 1 0 319.321 1.285 20 5 DDBDRO Nc1c(C(=O)N(C[C@H]2CCC[NH2+]2)C2CC2)cccc1[N+](=O)[O-] ZINC000186548016 162981736 /nfs/dbraw/zinc/98/17/36/162981736.db2.gz GKVZUTVVMXIBPE-SNVBAGLBSA-N 1 0 304.350 1.534 20 5 DDBDRO C[NH+](C)[C@H]1CCCN(C(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000277100940 408904788 /nfs/dbraw/zinc/90/47/88/408904788.db2.gz CNQHCFHQXWLGNN-ZDUSSCGKSA-N 1 0 321.377 1.916 20 5 DDBDRO COCC[N@@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000277368847 408928340 /nfs/dbraw/zinc/92/83/40/408928340.db2.gz CWCTUDUOHDYKCQ-LLVKDONJSA-N 1 0 323.349 1.054 20 5 DDBDRO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000291786632 408923792 /nfs/dbraw/zinc/92/37/92/408923792.db2.gz GCSVZFBWGKJAMX-SNVBAGLBSA-N 1 0 319.365 1.930 20 5 DDBDRO CN(CCC[NH+]1CCCC1)C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000281839607 408938813 /nfs/dbraw/zinc/93/88/13/408938813.db2.gz XASBEQAFZWBKHL-UHFFFAOYSA-N 1 0 321.377 1.918 20 5 DDBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000194712288 163293882 /nfs/dbraw/zinc/29/38/82/163293882.db2.gz PJYZLSJTGKKXSW-GFCCVEGCSA-N 1 0 306.366 1.607 20 5 DDBDRO C[C@H]1C[C@H](C[NH3+])CN1S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000215999951 163330384 /nfs/dbraw/zinc/33/03/84/163330384.db2.gz ZFXVKFKEXZZXFU-CMPLNLGQSA-N 1 0 313.379 1.094 20 5 DDBDRO [NH3+][C@H]1CCC[C@@H](C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000238010710 163394719 /nfs/dbraw/zinc/39/47/19/163394719.db2.gz DADOURBCQPYPHA-OCCSQVGLSA-N 1 0 303.362 1.997 20 5 DDBDRO CCCN(CC[NH+]1CCCCC1)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000286396138 408976861 /nfs/dbraw/zinc/97/68/61/408976861.db2.gz ZHCPGEQAHNUEJB-UHFFFAOYSA-N 1 0 323.397 1.666 20 5 DDBDRO C[C@@H](O)C[N@@H+]1CCN(c2ccc([N+](=O)[O-])c3nonc32)[C@@H](C)C1 ZINC000277791498 409013021 /nfs/dbraw/zinc/01/30/21/409013021.db2.gz NJIXGLTXAXHXQR-VHSXEESVSA-N 1 0 321.337 1.022 20 5 DDBDRO Cc1nn(CCC(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)c(C)c1[N+](=O)[O-] ZINC000293262980 409079037 /nfs/dbraw/zinc/07/90/37/409079037.db2.gz GFVFLYWDUJWQAQ-QWHCGFSZSA-N 1 0 321.381 1.009 20 5 DDBDRO C[C@H]([NH2+]CC(=O)NCC(F)(F)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293577711 409141232 /nfs/dbraw/zinc/14/12/32/409141232.db2.gz DTVWGVIYPZBLFM-ZETCQYMHSA-N 1 0 320.271 1.506 20 5 DDBDRO CC1(C)OCC(CO)([NH2+]CCc2ccc([N+](=O)[O-])cc2)CO1 ZINC000279220054 409172516 /nfs/dbraw/zinc/17/25/16/409172516.db2.gz IAQPQQWBUATCDP-UHFFFAOYSA-N 1 0 310.350 1.241 20 5 DDBDRO CCC[NH+]1CCN(C(=O)COc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000280430509 409311202 /nfs/dbraw/zinc/31/12/02/409311202.db2.gz CHTNAOZYEUBPNN-UHFFFAOYSA-N 1 0 321.377 1.836 20 5 DDBDRO CC1(C)OCC[C@@H]1[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000295129150 409336038 /nfs/dbraw/zinc/33/60/38/409336038.db2.gz ARJLQHODBBJBBP-AWEZNQCLSA-N 1 0 319.361 1.641 20 5 DDBDRO C[C@@H]1CN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC[N@@H+](C2CC2)C1 ZINC000295273011 409409907 /nfs/dbraw/zinc/40/99/07/409409907.db2.gz GZDQYZMAITWICJ-NSHDSACASA-N 1 0 318.377 1.733 20 5 DDBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H]1CCNC(=O)CC1 ZINC000295309604 409427418 /nfs/dbraw/zinc/42/74/18/409427418.db2.gz NDKHSRNLNHXCRU-ZDUSSCGKSA-N 1 0 305.378 1.985 20 5 DDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H](C)CCCC[NH3+] ZINC000314694530 164016463 /nfs/dbraw/zinc/01/64/63/164016463.db2.gz LIGMKIWESJGGGV-JTQLQIEISA-N 1 0 315.395 1.699 20 5 DDBDRO Nc1c(C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000317417114 164026971 /nfs/dbraw/zinc/02/69/71/164026971.db2.gz YIWQBNGOTMTALC-QWRGUYRKSA-N 1 0 304.350 1.534 20 5 DDBDRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000408371886 164310580 /nfs/dbraw/zinc/31/05/80/164310580.db2.gz FXHIXPCNCAHPPI-GFCCVEGCSA-N 1 0 307.354 1.049 20 5 DDBDRO CC[C@@H](C)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1 ZINC000296859385 409671005 /nfs/dbraw/zinc/67/10/05/409671005.db2.gz IBAJXNOANWRQJB-SNVBAGLBSA-N 1 0 324.356 1.872 20 5 DDBDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000356867444 409679390 /nfs/dbraw/zinc/67/93/90/409679390.db2.gz YRBZYJRZROCSEU-WDEREUQCSA-N 1 0 309.341 1.827 20 5 DDBDRO CC(C)(C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12)n1cc([N+](=O)[O-])cn1 ZINC000331663731 409747905 /nfs/dbraw/zinc/74/79/05/409747905.db2.gz OSTXSGJXVVBHRF-CHWSQXEVSA-N 1 0 321.381 1.269 20 5 DDBDRO CN1CCO[C@H](C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000332065478 409850901 /nfs/dbraw/zinc/85/09/01/409850901.db2.gz SIYOUSUVHHXXFI-RDBSUJKOSA-N 1 0 323.397 1.195 20 5 DDBDRO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000313364853 409805475 /nfs/dbraw/zinc/80/54/75/409805475.db2.gz UZOILTFKJLFCSH-ZDUSSCGKSA-N 1 0 300.318 1.710 20 5 DDBDRO CCc1n[nH]c(C(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000346144007 409819298 /nfs/dbraw/zinc/81/92/98/409819298.db2.gz UCIWFUGLJSCOKH-QWRGUYRKSA-N 1 0 323.397 1.873 20 5 DDBDRO Cc1c(NC(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000332189680 409961643 /nfs/dbraw/zinc/96/16/43/409961643.db2.gz GBYYQYXKENEESB-NWDGAFQWSA-N 1 0 304.350 1.976 20 5 DDBDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)Nc3ccncc3[N+](=O)[O-])C2)C1 ZINC000297883135 410035587 /nfs/dbraw/zinc/03/55/87/410035587.db2.gz VYUGSGFDBIFBLQ-OAHLLOKOSA-N 1 0 319.365 1.939 20 5 DDBDRO C[C@H](C[NH+]1CCCCCC1)Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000357433891 410036825 /nfs/dbraw/zinc/03/68/25/410036825.db2.gz BKJDNDUMLOBSTM-LLVKDONJSA-N 1 0 321.381 1.765 20 5 DDBDRO C[N@@H+]1CCCC12CCN(c1cccc(C(N)=O)c1[N+](=O)[O-])CC2 ZINC000342930292 410006372 /nfs/dbraw/zinc/00/63/72/410006372.db2.gz HFZZGVLDCQMDOO-UHFFFAOYSA-N 1 0 318.377 1.758 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H](C)C[NH+](C)C ZINC000351772201 410220666 /nfs/dbraw/zinc/22/06/66/410220666.db2.gz YTWFZTNALHSCTO-JTQLQIEISA-N 1 0 310.354 1.353 20 5 DDBDRO COc1ccc(NC(=O)CN2CC[C@H]([C@H](C)[NH3+])C2)c([N+](=O)[O-])c1 ZINC000351857651 410294626 /nfs/dbraw/zinc/29/46/26/410294626.db2.gz YBZKNPDZOGMOPK-QWRGUYRKSA-N 1 0 322.365 1.211 20 5 DDBDRO CC1CC[NH+](CCNc2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000298714109 410361456 /nfs/dbraw/zinc/36/14/56/410361456.db2.gz IJIQAVWRJADNRD-UHFFFAOYSA-N 1 0 307.354 1.233 20 5 DDBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])nc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000343420812 410438846 /nfs/dbraw/zinc/43/88/46/410438846.db2.gz BHYBYJWZGVDKQS-HIFRSBDPSA-N 1 0 319.409 1.452 20 5 DDBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@H](NC(N)=O)C1 ZINC000347361672 410495732 /nfs/dbraw/zinc/49/57/32/410495732.db2.gz PWMBVKBYKCWAIX-LWMSPQMPSA-N 1 0 304.350 1.741 20 5 DDBDRO [NH3+]CC1CCC(CNC(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000343627675 410579153 /nfs/dbraw/zinc/57/91/53/410579153.db2.gz QVRQHLGSSBDAGZ-UHFFFAOYSA-N 1 0 321.377 1.855 20 5 DDBDRO COC(=O)[C@H]1CCCC[C@@]1(C)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000343668660 410605756 /nfs/dbraw/zinc/60/57/56/410605756.db2.gz ONPCRWDZCPUQBO-TZMCWYRMSA-N 1 0 310.354 1.503 20 5 DDBDRO CC[N@@H+]1CCCN(C(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000299577851 410597091 /nfs/dbraw/zinc/59/70/91/410597091.db2.gz CMROFYANZBABHR-UHFFFAOYSA-N 1 0 307.350 1.528 20 5 DDBDRO C[NH+](C)[C@@H]1CCC[C@@H](Nc2cccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000340016725 410618620 /nfs/dbraw/zinc/61/86/20/410618620.db2.gz TWHLDQZFYDBLKM-GHMZBOCLSA-N 1 0 306.366 1.978 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000334042911 410626220 /nfs/dbraw/zinc/62/62/20/410626220.db2.gz ZXBBAYIHMVIKSX-QWRGUYRKSA-N 1 0 307.350 1.816 20 5 DDBDRO C[C@@H](CC[NH+](C)C)Nc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000301087893 410652630 /nfs/dbraw/zinc/65/26/30/410652630.db2.gz KGDVEROBLQBDPW-VIFPVBQESA-N 1 0 308.338 1.678 20 5 DDBDRO CNC(=O)c1ccc(N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000301430497 410719768 /nfs/dbraw/zinc/71/97/68/410719768.db2.gz QEUQLFADGMXJQH-YPMHNXCESA-N 1 0 320.393 1.873 20 5 DDBDRO CC[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1c(C)nn(C)c1C ZINC000347901358 410783914 /nfs/dbraw/zinc/78/39/14/410783914.db2.gz KKXUYLKMVAPLPY-GFCCVEGCSA-N 1 0 306.370 1.883 20 5 DDBDRO C[C@H](C[NH+](C)C)NC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000359657408 410799874 /nfs/dbraw/zinc/79/98/74/410799874.db2.gz GJLMSXVPTSEKHW-LLVKDONJSA-N 1 0 322.365 1.449 20 5 DDBDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000330597689 410811442 /nfs/dbraw/zinc/81/14/42/410811442.db2.gz SJQMLWYEKVHNTN-RYUDHWBXSA-N 1 0 307.350 1.525 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]1CC[NH2+][C@@H]1C(C)C ZINC000353176479 410829911 /nfs/dbraw/zinc/82/99/11/410829911.db2.gz GUQAROZPTASMSW-DZGCQCFKSA-N 1 0 321.377 1.854 20 5 DDBDRO CCC[N@@H+]1CCC[C@@H]1CNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000343952821 410845182 /nfs/dbraw/zinc/84/51/82/410845182.db2.gz BQQWCTUQONNCHW-SNVBAGLBSA-N 1 0 307.354 1.375 20 5 DDBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]C[C@@H]2COCCO2)c1 ZINC000340443698 410849658 /nfs/dbraw/zinc/84/96/58/410849658.db2.gz WTLZGWBFPNWRFA-LLVKDONJSA-N 1 0 318.276 1.701 20 5 DDBDRO CNC(=O)c1ccc(N2CC[NH+]3CCC2CC3)c([N+](=O)[O-])c1 ZINC000302792617 410866224 /nfs/dbraw/zinc/86/62/24/410866224.db2.gz ZFAFKKJHMFPGOC-UHFFFAOYSA-N 1 0 304.350 1.239 20 5 DDBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])cnc2N)C[C@H]1C ZINC000353490953 411028381 /nfs/dbraw/zinc/02/83/81/411028381.db2.gz LOKGZRXUJWUTON-GHMZBOCLSA-N 1 0 321.381 1.517 20 5 DDBDRO CC(C)(C)N1CC[C@@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1=O ZINC001120559204 782023118 /nfs/dbraw/zinc/02/31/18/782023118.db2.gz PDYWSSFQRWSUIO-ZIAGYGMSSA-N 1 0 321.377 1.617 20 5 DDBDRO Cc1c(NC(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000415656862 224688485 /nfs/dbraw/zinc/68/84/85/224688485.db2.gz UGADEDQLZJQACU-WDEREUQCSA-N 1 0 320.349 1.228 20 5 DDBDRO COc1cc(C(=O)NCC2([NH+](C)C)CC2)c([N+](=O)[O-])cc1F ZINC000416305574 224878031 /nfs/dbraw/zinc/87/80/31/224878031.db2.gz BKPORDJSBBUCAR-UHFFFAOYSA-N 1 0 311.313 1.567 20 5 DDBDRO C[C@H](CO)[N@@H+]1CCCN(Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000373742218 418454694 /nfs/dbraw/zinc/45/46/94/418454694.db2.gz OPLAMDZBEDBQRD-GFCCVEGCSA-N 1 0 311.357 1.622 20 5 DDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000360561820 418465313 /nfs/dbraw/zinc/46/53/13/418465313.db2.gz KDHLEFXSBTVQEX-WBMJQRKESA-N 1 0 318.377 1.607 20 5 DDBDRO COc1ccc(OCCN2CC[C@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC000360572295 418468483 /nfs/dbraw/zinc/46/84/83/418468483.db2.gz XDRJEJKWRMGZOE-INIZCTEOSA-N 1 0 321.377 1.668 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CCN(CCOc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000375034706 418592345 /nfs/dbraw/zinc/59/23/45/418592345.db2.gz DDUATUHTINATFK-HIFRSBDPSA-N 1 0 305.378 2.000 20 5 DDBDRO COc1cccc(C(=O)NCC[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000195426061 222200980 /nfs/dbraw/zinc/20/09/80/222200980.db2.gz WDZAYECCCYYLNM-UHFFFAOYSA-N 1 0 307.350 1.819 20 5 DDBDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000387549063 418743490 /nfs/dbraw/zinc/74/34/90/418743490.db2.gz AZBCDJHDDZYUCH-NSHDSACASA-N 1 0 306.366 1.637 20 5 DDBDRO O=C(N[C@H]1CC[N@H+](CC2CCCC2)C1)c1cc([N+](=O)[O-])c[nH]1 ZINC000362057540 418745662 /nfs/dbraw/zinc/74/56/62/418745662.db2.gz LEZLKVIGXIMEKZ-LBPRGKRZSA-N 1 0 306.366 1.917 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCCN1CC[NH2+]CC1 ZINC000422744512 227151139 /nfs/dbraw/zinc/15/11/39/227151139.db2.gz TUMNVYJDQGMQRW-UHFFFAOYSA-N 1 0 320.393 1.155 20 5 DDBDRO Nc1ccc(C(=O)N2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1[N+](=O)[O-] ZINC000364746164 418807697 /nfs/dbraw/zinc/80/76/97/418807697.db2.gz LPUKFRUOBLVWTQ-GXTWGEPZSA-N 1 0 318.377 1.781 20 5 DDBDRO COc1ccc(CC(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)cc1[N+](=O)[O-] ZINC000571873949 304491764 /nfs/dbraw/zinc/49/17/64/304491764.db2.gz KVPMYNIBLQEXGA-GHMZBOCLSA-N 1 0 307.350 1.355 20 5 DDBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@]1(CO)CCOC1 ZINC000411511614 418910690 /nfs/dbraw/zinc/91/06/90/418910690.db2.gz ZDUDCGUBPACXBA-HNNXBMFYSA-N 1 0 323.349 1.007 20 5 DDBDRO O=[N+]([O-])c1ccn(CCN2CCC([NH2+]C3CCCC3)CC2)n1 ZINC000365832181 418913481 /nfs/dbraw/zinc/91/34/81/418913481.db2.gz BPJNZXKHMGYBRX-UHFFFAOYSA-N 1 0 307.398 1.788 20 5 DDBDRO O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000373065176 418925870 /nfs/dbraw/zinc/92/58/70/418925870.db2.gz FARGTESIOVGGIS-GSKXSAQWSA-N 1 0 301.346 1.818 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@@H](CO)CC1CCC1 ZINC000571920811 304495532 /nfs/dbraw/zinc/49/55/32/304495532.db2.gz JCYPWWDPHKMGNS-KGLIPLIRSA-N 1 0 324.377 1.475 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424239990 228250053 /nfs/dbraw/zinc/25/00/53/228250053.db2.gz MWBAHZUIDVJGTP-UHFFFAOYSA-N 1 0 317.349 1.896 20 5 DDBDRO C[N@H+](CCNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000411616176 419363380 /nfs/dbraw/zinc/36/33/80/419363380.db2.gz MJKWDGBLWRBLEQ-LSDHHAIUSA-N 1 0 303.362 1.909 20 5 DDBDRO CC[C@@]1(O)CC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000425919105 419368007 /nfs/dbraw/zinc/36/80/07/419368007.db2.gz ATZCXMNOHBSQQA-OAHLLOKOSA-N 1 0 308.334 1.808 20 5 DDBDRO C[C@H](NC(=O)NCC1=CC[NH2+]CC1)c1ccccc1[N+](=O)[O-] ZINC000417984234 419448020 /nfs/dbraw/zinc/44/80/20/419448020.db2.gz OSCFHRQXAUDCPQ-NSHDSACASA-N 1 0 304.350 1.875 20 5 DDBDRO C[NH2+][C@@H]1CCCN(C(=O)NCc2cccc([N+](=O)[O-])c2C)C1 ZINC000418075836 419513249 /nfs/dbraw/zinc/51/32/49/419513249.db2.gz FRJMTOJYSVJYGO-CYBMUJFWSA-N 1 0 306.366 1.797 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2C[C@@H](O)C[C@H]2c2ccccc2)n1 ZINC000411948334 419515862 /nfs/dbraw/zinc/51/58/62/419515862.db2.gz PQNWEPGZLRNRRD-KBPBESRZSA-N 1 0 302.334 1.599 20 5 DDBDRO Cc1c(CNC(=O)NC[C@@H]2C[NH2+]CCCO2)cccc1[N+](=O)[O-] ZINC000418079272 419515895 /nfs/dbraw/zinc/51/58/95/419515895.db2.gz KSPRMUYRWAHZBS-ZDUSSCGKSA-N 1 0 322.365 1.081 20 5 DDBDRO C[NH+](C)[C@H](CNc1ncc([N+](=O)[O-])c(N)n1)c1cccs1 ZINC000298759946 228744360 /nfs/dbraw/zinc/74/43/60/228744360.db2.gz ZRYIQEUEQSYYFV-MRVPVSSYSA-N 1 0 308.367 1.743 20 5 DDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000418326776 419709137 /nfs/dbraw/zinc/70/91/37/419709137.db2.gz YHGFPJITWDTDRE-LBPRGKRZSA-N 1 0 306.366 1.736 20 5 DDBDRO CC(C)Oc1cc(C(=O)N2CC([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000412238824 419741229 /nfs/dbraw/zinc/74/12/29/419741229.db2.gz XPFKRTPTIIXRTF-UHFFFAOYSA-N 1 0 307.350 1.768 20 5 DDBDRO C[C@H](C[NH3+])NC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000418514411 419848393 /nfs/dbraw/zinc/84/83/93/419848393.db2.gz OGVJKMLFJMVWPH-DGCLKSJQSA-N 1 0 306.366 1.831 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000428031843 419793918 /nfs/dbraw/zinc/79/39/18/419793918.db2.gz IECGWHTZDLMULN-IUODEOHRSA-N 1 0 318.377 1.526 20 5 DDBDRO COc1cc(CN(C)CC[NH3+])c([N+](=O)[O-])cc1OCC(F)F ZINC000415104220 419946397 /nfs/dbraw/zinc/94/63/97/419946397.db2.gz GWOSHWBSEJPISM-UHFFFAOYSA-N 1 0 319.308 1.638 20 5 DDBDRO C[C@H]([NH3+])CCNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000415375849 420040351 /nfs/dbraw/zinc/04/03/51/420040351.db2.gz MECCLSJLDNUOBQ-ZETCQYMHSA-N 1 0 314.729 1.040 20 5 DDBDRO Cc1c(CC(=O)N(C2CC2)[C@H]2CC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000423449152 420054540 /nfs/dbraw/zinc/05/45/40/420054540.db2.gz CCQUURXUXWZFEY-AWEZNQCLSA-N 1 0 303.362 1.799 20 5 DDBDRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000423637817 420109022 /nfs/dbraw/zinc/10/90/22/420109022.db2.gz HSRACJKJFRKEMG-CABZTGNLSA-N 1 0 304.350 1.731 20 5 DDBDRO O=C(NC[C@@H]1C[NH2+]CCCO1)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415633885 420131466 /nfs/dbraw/zinc/13/14/66/420131466.db2.gz RJWPHBVULFISDF-LBPRGKRZSA-N 1 0 312.301 1.234 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000415501508 420091743 /nfs/dbraw/zinc/09/17/43/420091743.db2.gz MRGAKJWGACCWOZ-UWVGGRQHSA-N 1 0 308.338 1.865 20 5 DDBDRO C[NH2+]C[C@H]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000430928383 420210970 /nfs/dbraw/zinc/21/09/70/420210970.db2.gz UGAFKBAALVDYTH-GFCCVEGCSA-N 1 0 306.366 1.383 20 5 DDBDRO CC[C@]1(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)CCC[NH2+]1 ZINC000423732431 420146398 /nfs/dbraw/zinc/14/63/98/420146398.db2.gz ZKHXRHDFAYGFNZ-CQSZACIVSA-N 1 0 303.322 1.942 20 5 DDBDRO [NH3+][C@@H]1CCC[C@H]1CC(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000423732314 420146755 /nfs/dbraw/zinc/14/67/55/420146755.db2.gz ZCVDYOVCPAHPEU-GZMMTYOYSA-N 1 0 303.322 1.927 20 5 DDBDRO C[NH2+][C@@H]1CCN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000430612332 420158316 /nfs/dbraw/zinc/15/83/16/420158316.db2.gz RXBVLHWTDVOXIV-VXGBXAGGSA-N 1 0 306.366 1.524 20 5 DDBDRO C[NH2+]C[C@H]1CCCN(CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1 ZINC000430634203 420165618 /nfs/dbraw/zinc/16/56/18/420165618.db2.gz CVAFIJCHRFHJQZ-CYBMUJFWSA-N 1 0 320.393 1.773 20 5 DDBDRO COc1ccc(NC(=O)CN2CCCC[C@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000430658373 420172689 /nfs/dbraw/zinc/17/26/89/420172689.db2.gz XJCAGVJMFJYGIE-NSHDSACASA-N 1 0 322.365 1.355 20 5 DDBDRO C[C@](CN)([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000420284746 420182660 /nfs/dbraw/zinc/18/26/60/420182660.db2.gz DKDNCDAXAHYFIY-OAHLLOKOSA-N 1 0 306.366 1.640 20 5 DDBDRO Cc1c(NC(=O)[C@@H](C)N2CC[NH2+][C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000420339935 420221103 /nfs/dbraw/zinc/22/11/03/420221103.db2.gz RPSWZPRFZQSXTR-CMPLNLGQSA-N 1 0 306.366 1.524 20 5 DDBDRO NC(=O)c1ccc(CN2CCC[C@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC000420374386 420245385 /nfs/dbraw/zinc/24/53/85/420245385.db2.gz NRKCNUIFCLNWPG-MRXNPFEDSA-N 1 0 318.377 1.269 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)N2CC[N@H+](C)CC[C@@H]2C)c1[N+](=O)[O-] ZINC000433748448 420253970 /nfs/dbraw/zinc/25/39/70/420253970.db2.gz LCBQWOIFOLYZEF-JTQLQIEISA-N 1 0 309.370 1.608 20 5 DDBDRO [NH3+]C[C@H](NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)C1CCCC1 ZINC000423943140 420278944 /nfs/dbraw/zinc/27/89/44/420278944.db2.gz QNYIVRAANRGPJL-ZDUSSCGKSA-N 1 0 317.349 1.718 20 5 DDBDRO CCCc1n[nH]c(C(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC000424015908 420306910 /nfs/dbraw/zinc/30/69/10/420306910.db2.gz NIMYRURNZZBLPF-NXEZZACHSA-N 1 0 309.370 1.327 20 5 DDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@@H](O)C(F)F)n1 ZINC000436284845 420317214 /nfs/dbraw/zinc/31/72/14/420317214.db2.gz OCJGSPQUCGUCIY-IVZWLZJFSA-N 1 0 304.297 1.491 20 5 DDBDRO C[N@@H+]1CCC[C@]2(CCN(c3c(C(N)=O)cccc3[N+](=O)[O-])C2)C1 ZINC000420645852 420340444 /nfs/dbraw/zinc/34/04/44/420340444.db2.gz ZMHJPEYGBHLERZ-INIZCTEOSA-N 1 0 318.377 1.616 20 5 DDBDRO C[C@H]1[C@H](C)[N@H+](C)CCN1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444688247 230121730 /nfs/dbraw/zinc/12/17/30/230121730.db2.gz IXNNWQYUAJKGKC-QWRGUYRKSA-N 1 0 303.366 1.996 20 5 DDBDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000275105570 287629049 /nfs/dbraw/zinc/62/90/49/287629049.db2.gz DMPKXNJNYFDNAL-MWLCHTKSSA-N 1 0 321.333 1.094 20 5 DDBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@@H](c3nnc[nH]3)C2)c1 ZINC000425541167 420414493 /nfs/dbraw/zinc/41/44/93/420414493.db2.gz FYOXRMFKCNLBJI-LLVKDONJSA-N 1 0 303.322 1.581 20 5 DDBDRO C[N@H+]1CC=C(CNC(=O)/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000492363580 420535507 /nfs/dbraw/zinc/53/55/07/420535507.db2.gz GZNUUDTXKBZPGZ-SREVYHEPSA-N 1 0 301.346 1.986 20 5 DDBDRO CCCC[C@@H](C[NH3+])NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000417774581 420475208 /nfs/dbraw/zinc/47/52/08/420475208.db2.gz ZMQRGKHPZGWLDN-ZDUSSCGKSA-N 1 0 308.382 1.954 20 5 DDBDRO Cc1ccc(S(=O)(=O)NCC[C@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000440361689 420570242 /nfs/dbraw/zinc/57/02/42/420570242.db2.gz YMNKPBZRYULKFY-LLVKDONJSA-N 1 0 313.379 1.181 20 5 DDBDRO CC[N@H+](CCO)CCNC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000492624887 420610540 /nfs/dbraw/zinc/61/05/40/420610540.db2.gz URFAOCUKTSOITI-SREVYHEPSA-N 1 0 307.350 1.038 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)[C@H]1CC[N@@H+](C(C)C)C1 ZINC000457121481 420620713 /nfs/dbraw/zinc/62/07/13/420620713.db2.gz OLIPQTDHTFFIED-ZDUSSCGKSA-N 1 0 323.397 1.431 20 5 DDBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N[C@H]1C[NH2+]CCC1(F)F ZINC000493094681 420756543 /nfs/dbraw/zinc/75/65/43/420756543.db2.gz RPVDIBMVBBLNKP-RYBZSIHZSA-N 1 0 311.288 1.721 20 5 DDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](CO)[C@H]2CCCO2)c(Cl)c1 ZINC000447901234 420813698 /nfs/dbraw/zinc/81/36/98/420813698.db2.gz BJNWSGALHKEEOU-CHWSQXEVSA-N 1 0 300.742 1.878 20 5 DDBDRO CC[C@@H]1OCC[C@H]1[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000459789376 420874461 /nfs/dbraw/zinc/87/44/61/420874461.db2.gz GFWDLTUXUMGJDU-YUELXQCFSA-N 1 0 310.350 1.492 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2ccnn2C2CCCC2)c1 ZINC000449198055 420967920 /nfs/dbraw/zinc/96/79/20/420967920.db2.gz ZNJHBGWUNXDEAW-UHFFFAOYSA-N 1 0 304.354 1.893 20 5 DDBDRO C[C@@H](CCC[NH3+])NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000449569904 421028569 /nfs/dbraw/zinc/02/85/69/421028569.db2.gz FJINYQAQXBFLEX-JTQLQIEISA-N 1 0 323.349 1.152 20 5 DDBDRO COc1cc(C[NH2+]CCC2(CO)CC2)c([N+](=O)[O-])cc1OC ZINC000449576830 421030557 /nfs/dbraw/zinc/03/05/57/421030557.db2.gz BPTRJMOWEFXDAP-UHFFFAOYSA-N 1 0 310.350 1.864 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000449638826 421041041 /nfs/dbraw/zinc/04/10/41/421041041.db2.gz MIKWELODSUOCGW-WDEREUQCSA-N 1 0 307.350 1.851 20 5 DDBDRO CSc1ccc(C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)cc1[N+](=O)[O-] ZINC000449741674 421071435 /nfs/dbraw/zinc/07/14/35/421071435.db2.gz VTGPFQJSTDEJSZ-PWSUYJOCSA-N 1 0 307.375 1.751 20 5 DDBDRO CC[C@H](C)[NH+]1CCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC1 ZINC000456532856 421179493 /nfs/dbraw/zinc/17/94/93/421179493.db2.gz PZLFBJQFAMXFBV-LBPRGKRZSA-N 1 0 323.397 1.469 20 5 DDBDRO C[NH+](C)C[C@](C)(O)CNc1nccc2c1cccc2[N+](=O)[O-] ZINC000450410096 421194457 /nfs/dbraw/zinc/19/44/57/421194457.db2.gz VOIOMQBOOVUCLH-OAHLLOKOSA-N 1 0 304.350 1.868 20 5 DDBDRO CC[N@@H+]1CCN(C(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000561147315 421308875 /nfs/dbraw/zinc/30/88/75/421308875.db2.gz LSQQBNPFQVFXIR-LBPRGKRZSA-N 1 0 321.377 1.699 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CC[C@@H]3CCC[NH2+]C3)CC2)cn1 ZINC000562834779 421420586 /nfs/dbraw/zinc/42/05/86/421420586.db2.gz UZFIGTHDJAZCNX-AWEZNQCLSA-N 1 0 319.409 1.502 20 5 DDBDRO C[NH+](C)CCCCC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000552215332 421580288 /nfs/dbraw/zinc/58/02/88/421580288.db2.gz ROXVJQDNXPUPDU-UHFFFAOYSA-N 1 0 308.382 1.855 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]Cc1ccncc1 ZINC000551816625 421543836 /nfs/dbraw/zinc/54/38/36/421543836.db2.gz BZJLNEYATIDXDW-CYBMUJFWSA-N 1 0 303.318 1.519 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000517873584 421630274 /nfs/dbraw/zinc/63/02/74/421630274.db2.gz GGGRRKYCMSRPRQ-CYBMUJFWSA-N 1 0 324.381 1.116 20 5 DDBDRO Cn1ccc(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000517922811 421633124 /nfs/dbraw/zinc/63/31/24/421633124.db2.gz TWRANUFVLBILPK-AWEZNQCLSA-N 1 0 305.334 1.463 20 5 DDBDRO CNc1ccc(C(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000531482989 421635248 /nfs/dbraw/zinc/63/52/48/421635248.db2.gz JXPUARZCZCYKNO-JQWIXIFHSA-N 1 0 318.377 1.992 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000518289689 421646884 /nfs/dbraw/zinc/64/68/84/421646884.db2.gz RSMLQYVZWQQGHP-UHFFFAOYSA-N 1 0 308.382 1.926 20 5 DDBDRO C[C@@H](C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)C1C[NH2+]C1 ZINC000566169424 421603867 /nfs/dbraw/zinc/60/38/67/421603867.db2.gz HWILVAWMZUUSBC-SECBINFHSA-N 1 0 315.333 1.779 20 5 DDBDRO C[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000519638736 421711924 /nfs/dbraw/zinc/71/19/24/421711924.db2.gz DDTMAMYBQZLVKI-CABZTGNLSA-N 1 0 315.333 1.921 20 5 DDBDRO Cn1cncc1CCC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000572300251 421775214 /nfs/dbraw/zinc/77/52/14/421775214.db2.gz YVZXPWCISWCAJN-UHFFFAOYSA-N 1 0 318.381 1.795 20 5 DDBDRO C[C@@H]1CC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000572301297 421776660 /nfs/dbraw/zinc/77/66/60/421776660.db2.gz ASCGHSFVYGHJLO-GFCCVEGCSA-N 1 0 303.362 1.821 20 5 DDBDRO CC(C)C(=O)NCC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000557875506 421792412 /nfs/dbraw/zinc/79/24/12/421792412.db2.gz FDTRKGSBPZGDNO-UHFFFAOYSA-N 1 0 322.365 1.285 20 5 DDBDRO CCc1ccccc1[C@@H]([NH3+])CNC(=O)c1c([N+](=O)[O-])cnn1C ZINC000581011029 421880875 /nfs/dbraw/zinc/88/08/75/421880875.db2.gz IDRHYIVOJBTVSF-LBPRGKRZSA-N 1 0 317.349 1.321 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CC2CCC(F)(F)CC2)c1 ZINC000573795416 422016015 /nfs/dbraw/zinc/01/60/15/422016015.db2.gz HTXSYTQBQIOUFO-LBPRGKRZSA-N 1 0 318.324 1.567 20 5 DDBDRO CCc1ccc(S(=O)(=O)N[C@H](C)C[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000574277229 422086777 /nfs/dbraw/zinc/08/67/77/422086777.db2.gz TVOJYZNGHFNVGM-NXEZZACHSA-N 1 0 315.395 1.561 20 5 DDBDRO O=c1c(Br)cn(CC[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000574080745 422058648 /nfs/dbraw/zinc/05/86/48/422058648.db2.gz YLFXRNWZYGNBOX-QMMMGPOBSA-N 1 0 316.155 1.519 20 5 DDBDRO COc1nccnc1CNCCOc1ccc([N+](=O)[O-])cc1 ZINC000574838104 422193895 /nfs/dbraw/zinc/19/38/95/422193895.db2.gz HCPHCCQUVAEDNW-UHFFFAOYSA-N 1 0 304.306 1.562 20 5 DDBDRO [NH3+]C1(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)CC2(CCC2)C1 ZINC000595953292 422359314 /nfs/dbraw/zinc/35/93/14/422359314.db2.gz ZRBXQDXWQQHHBZ-UHFFFAOYSA-N 1 0 315.333 2.071 20 5 DDBDRO O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)c1[nH]ncc1[N+](=O)[O-] ZINC000595966692 422359661 /nfs/dbraw/zinc/35/96/61/422359661.db2.gz LMFKAKXKKPHEIX-VXGBXAGGSA-N 1 0 315.333 1.193 20 5 DDBDRO Nc1ccc(NC[C@@H]2CC[N@@H+]2Cc2ccccc2)nc1[N+](=O)[O-] ZINC000596559444 422380186 /nfs/dbraw/zinc/38/01/86/422380186.db2.gz YPNIWIAOKYUXQH-ZDUSSCGKSA-N 1 0 313.361 2.258 20 5 DDBDRO C[C@H](C[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])S(C)(=O)=O ZINC000578642424 422616919 /nfs/dbraw/zinc/61/69/19/422616919.db2.gz GDHZGECKDKGBRL-SECBINFHSA-N 1 0 320.798 1.813 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)n1 ZINC000191797475 263462002 /nfs/dbraw/zinc/46/20/02/263462002.db2.gz LVQCQUQTXGXUMR-LLVKDONJSA-N 1 0 307.354 1.122 20 5 DDBDRO CNS(=O)(=O)CCC[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000342334486 271380071 /nfs/dbraw/zinc/38/00/71/271380071.db2.gz CDDOWFBDTUZANJ-NSHDSACASA-N 1 0 315.395 1.493 20 5 DDBDRO CC[NH+]1C[C@@H](C)N(C(=O)CCn2cc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000344412367 272018711 /nfs/dbraw/zinc/01/87/11/272018711.db2.gz CWGZGYJXMXKTLN-VXGBXAGGSA-N 1 0 309.370 1.123 20 5 DDBDRO C[C@@H]1C[N@@H+](C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCO1 ZINC000344436033 272027037 /nfs/dbraw/zinc/02/70/37/272027037.db2.gz PENZSQJQANXWGD-GFCCVEGCSA-N 1 0 306.366 1.679 20 5 DDBDRO CCCN(CC[NH+](C)C)C(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000344860467 272130240 /nfs/dbraw/zinc/13/02/40/272130240.db2.gz SAMHHPPRZVBCFV-UHFFFAOYSA-N 1 0 311.386 1.855 20 5 DDBDRO O=C(NC[C@H]1[NH2+]CCc2ccccc21)c1ccc([N+](=O)[O-])o1 ZINC000262558833 274983034 /nfs/dbraw/zinc/98/30/34/274983034.db2.gz UTZSJVYOQSDQSR-GFCCVEGCSA-N 1 0 301.302 1.805 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)N[C@@H]2CC[C@@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000330580614 275722770 /nfs/dbraw/zinc/72/27/70/275722770.db2.gz IRCGZNFWPUHIGG-NXEZZACHSA-N 1 0 309.370 1.654 20 5 DDBDRO COC[C@]1(CNC(=O)c2cc(C)ccc2[N+](=O)[O-])CCC[NH2+]1 ZINC000262546797 277609501 /nfs/dbraw/zinc/60/95/01/277609501.db2.gz RVQHUILGWAETDJ-OAHLLOKOSA-N 1 0 307.350 1.402 20 5 DDBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000330559662 279309480 /nfs/dbraw/zinc/30/94/80/279309480.db2.gz HJIUFEVWOKUZIO-VXGBXAGGSA-N 1 0 308.382 1.784 20 5 DDBDRO Cn1cc([N+](=O)[O-])c(C(=O)NCCCCC[NH+]2CCCCC2)n1 ZINC000271363047 279351674 /nfs/dbraw/zinc/35/16/74/279351674.db2.gz GOGWBEUSBSURCO-UHFFFAOYSA-N 1 0 323.397 1.714 20 5 DDBDRO Cc1nc2cc(NC(=O)c3n[nH]cc3[N+](=O)[O-])ccc2n1C ZINC000124161692 281185531 /nfs/dbraw/zinc/18/55/31/281185531.db2.gz YVALEGAIFZAQDR-UHFFFAOYSA-N 1 0 300.278 1.765 20 5 DDBDRO NC(=O)c1ccc(C[N@H+](CCO)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000120770290 295179389 /nfs/dbraw/zinc/17/93/89/295179389.db2.gz FHTRXALALXUJQO-UHFFFAOYSA-N 1 0 321.377 1.821 20 5 DDBDRO [NH3+]CC[C@H]1CCCCN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000070149399 295240060 /nfs/dbraw/zinc/24/00/60/295240060.db2.gz DYHVGVBMLODRDT-LLVKDONJSA-N 1 0 313.379 1.487 20 5 DDBDRO CC[NH+](CC)CCOC1CCN(c2ncc([N+](=O)[O-])cn2)CC1 ZINC000354598728 298475414 /nfs/dbraw/zinc/47/54/14/298475414.db2.gz IJLUZYRUGFVHDR-UHFFFAOYSA-N 1 0 323.397 1.712 20 5 DDBDRO NC(=O)c1ccnc(N2CCC[C@H]([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000357324434 299007893 /nfs/dbraw/zinc/00/78/93/299007893.db2.gz JHYDYJLLIKCTRK-NSHDSACASA-N 1 0 319.365 1.153 20 5 DDBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000574383966 304648099 /nfs/dbraw/zinc/64/80/99/304648099.db2.gz YETDZEQCOVXRMV-CHWSQXEVSA-N 1 0 304.350 1.346 20 5 DDBDRO CCC[N@@H+]1CCCN(C(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000363326031 300251889 /nfs/dbraw/zinc/25/18/89/300251889.db2.gz ORSOYLUNXNIMJO-UHFFFAOYSA-N 1 0 321.377 1.918 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000364037513 300337307 /nfs/dbraw/zinc/33/73/07/300337307.db2.gz AUDMSVYTBQDMMM-QWHCGFSZSA-N 1 0 321.381 1.233 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@]2(CCC[C@@H]2[NH3+])C1 ZINC000364265330 300364682 /nfs/dbraw/zinc/36/46/82/300364682.db2.gz ZZZACXGYOADSTL-SWLSCSKDSA-N 1 0 321.381 1.220 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@H](OCC3CC3)C2)c1 ZINC000364451247 300398778 /nfs/dbraw/zinc/39/87/78/300398778.db2.gz XOMNTTZCINUWGM-GJZGRUSLSA-N 1 0 324.381 1.043 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@@H](OCC3CC3)C2)c1 ZINC000364451249 300399120 /nfs/dbraw/zinc/39/91/20/300399120.db2.gz XOMNTTZCINUWGM-LSDHHAIUSA-N 1 0 324.381 1.043 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[NH+]2CCC1CC2 ZINC000367387147 300839799 /nfs/dbraw/zinc/83/97/99/300839799.db2.gz AOUWZKCCGMLEKO-UHFFFAOYSA-N 1 0 319.361 1.914 20 5 DDBDRO COCCC[N@@H+]1CCCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000377489980 302184456 /nfs/dbraw/zinc/18/44/56/302184456.db2.gz OWTPRHIGCTTXRI-UHFFFAOYSA-N 1 0 321.377 1.779 20 5 DDBDRO CC(C)[NH+](CCN(C)C(=O)Cn1cc([N+](=O)[O-])cn1)C(C)C ZINC000356176956 306841116 /nfs/dbraw/zinc/84/11/16/306841116.db2.gz NJEVUSFMQZYLPW-UHFFFAOYSA-N 1 0 311.386 1.369 20 5 DDBDRO O=C(CC[NH2+]CCc1cnccn1)Nc1ccccc1[N+](=O)[O-] ZINC000516965246 302803499 /nfs/dbraw/zinc/80/34/99/302803499.db2.gz MWTNCVSOVRUDQY-UHFFFAOYSA-N 1 0 315.333 1.546 20 5 DDBDRO C[C@]1(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CCOC1 ZINC000517231275 302809688 /nfs/dbraw/zinc/80/96/88/302809688.db2.gz YPGQHZXBYUEOJC-OAHLLOKOSA-N 1 0 307.350 1.940 20 5 DDBDRO C[C@@H](O)C[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccccc1 ZINC000531143181 303232762 /nfs/dbraw/zinc/23/27/62/303232762.db2.gz QEXJAYAZUAPYJQ-CYBMUJFWSA-N 1 0 304.350 1.674 20 5 DDBDRO CC(C)[N@H+](C)CC1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000534268085 303328429 /nfs/dbraw/zinc/32/84/29/303328429.db2.gz CJRJHYQTTBRLPG-UHFFFAOYSA-N 1 0 309.370 1.510 20 5 DDBDRO C[N@H+]1CC=C(CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000538350453 303384204 /nfs/dbraw/zinc/38/42/04/303384204.db2.gz KAYVMFOPYLXFFF-UHFFFAOYSA-N 1 0 319.317 1.315 20 5 DDBDRO CC[NH2+]CCCNC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000561203547 303835018 /nfs/dbraw/zinc/83/50/18/303835018.db2.gz ACZXLRMXTRPKGO-UHFFFAOYSA-N 1 0 322.365 1.367 20 5 DDBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N[C@H]1CCC[NH2+]C1 ZINC000193350552 304805811 /nfs/dbraw/zinc/80/58/11/304805811.db2.gz UVNQGIXXKOZHRZ-QMMMGPOBSA-N 1 0 319.770 1.279 20 5 DDBDRO CCC[C@H]1C[NH2+]CCN1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000359044924 306949940 /nfs/dbraw/zinc/94/99/40/306949940.db2.gz OXNCGUXFSXJPKJ-AWEZNQCLSA-N 1 0 320.393 1.916 20 5 DDBDRO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@@H](O)CC(F)(F)F)CC2)n1 ZINC000369683549 307126575 /nfs/dbraw/zinc/12/65/75/307126575.db2.gz MQRGDGCYNWDLBA-JTQLQIEISA-N 1 0 322.287 1.742 20 5 DDBDRO CSC[C@H](O)C[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000372294465 307167701 /nfs/dbraw/zinc/16/77/01/307167701.db2.gz JNMAYJPFDUZMTI-CMPLNLGQSA-N 1 0 300.384 1.152 20 5 DDBDRO COC(=O)[C@@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)CC12CCC2 ZINC000373175649 307181074 /nfs/dbraw/zinc/18/10/74/307181074.db2.gz ANLBMMHJLVXJDV-NSHDSACASA-N 1 0 308.338 1.066 20 5 DDBDRO CCc1n[nH]c(C(=O)N2CCC3(CCC[N@@H+]3C)CC2)c1[N+](=O)[O-] ZINC000375202160 307218538 /nfs/dbraw/zinc/21/85/38/307218538.db2.gz PIFTZCLCIREEPA-UHFFFAOYSA-N 1 0 321.381 1.581 20 5 DDBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NC[C@H]1C[NH2+]CCCO1 ZINC000390141852 307293616 /nfs/dbraw/zinc/29/36/16/307293616.db2.gz JPPMFZNPAQEMHY-HJHHMULASA-N 1 0 305.334 1.103 20 5 DDBDRO C[C@@H](N[C@@H]1CCCC[C@H]1[NH3+])C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000424337405 307301313 /nfs/dbraw/zinc/30/13/13/307301313.db2.gz RNPZVDSIMUTXPR-IJLUTSLNSA-N 1 0 306.366 1.781 20 5 DDBDRO C[N@H+](CCCCCO)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000434682859 307304283 /nfs/dbraw/zinc/30/42/83/307304283.db2.gz BGKVUGTYPHSPOR-OAHLLOKOSA-N 1 0 321.377 1.795 20 5 DDBDRO C[NH+](C)[C@H](CNC(=O)c1c[nH]nc1[N+](=O)[O-])Cc1ccccc1 ZINC000554833187 307839415 /nfs/dbraw/zinc/83/94/15/307839415.db2.gz HIYQSCZPSIGWQE-LBPRGKRZSA-N 1 0 317.349 1.221 20 5 DDBDRO Cc1c(NC(=O)CC[NH2+][C@H]2C[C@@H](O)C2(C)C)cccc1[N+](=O)[O-] ZINC000574287385 308266462 /nfs/dbraw/zinc/26/64/62/308266462.db2.gz DKFSBVPRFJAUIW-UONOGXRCSA-N 1 0 321.377 1.981 20 5 DDBDRO [NH3+]C[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)CC12CCOCC2 ZINC000577279324 308376442 /nfs/dbraw/zinc/37/64/42/308376442.db2.gz KWQADFYJOIWUPW-ZDUSSCGKSA-N 1 0 319.361 1.422 20 5 DDBDRO C[C@@H]1CCC[C@H](C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H]1C ZINC000578007166 308429642 /nfs/dbraw/zinc/42/96/42/308429642.db2.gz BQIVVCNEMAENCK-QVHKTLOISA-N 1 0 310.398 1.814 20 5 DDBDRO Cc1cc(N2CC[C@@H](CO)[C@H](O)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000579658162 308547199 /nfs/dbraw/zinc/54/71/99/308547199.db2.gz VXYXXTLJMSUYFP-MEDUHNTESA-N 1 0 317.345 1.631 20 5 DDBDRO [NH3+]C[C@H]1CC[C@H](NS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000382470128 325745962 /nfs/dbraw/zinc/74/59/62/325745962.db2.gz PFMWERURLARUIB-RYUDHWBXSA-N 1 0 313.379 1.142 20 5 DDBDRO COc1ccc(C(=O)N[C@@H](CC[NH3+])C(F)F)cc1[N+](=O)[O-] ZINC000383520636 325750000 /nfs/dbraw/zinc/75/00/00/325750000.db2.gz VFZLXDKFPQTMKH-QMMMGPOBSA-N 1 0 303.265 1.316 20 5 DDBDRO CC1(C)CCC(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000390093560 325780467 /nfs/dbraw/zinc/78/04/67/325780467.db2.gz WKZGEYOJFJMRMF-CQSZACIVSA-N 1 0 310.398 1.958 20 5 DDBDRO COCC[NH2+]C1CCN(Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000583444213 332414789 /nfs/dbraw/zinc/41/47/89/332414789.db2.gz RHBPAXPKJNTXPM-UHFFFAOYSA-N 1 0 323.393 1.804 20 5 DDBDRO [NH3+]C[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000583811420 337336360 /nfs/dbraw/zinc/33/63/60/337336360.db2.gz ZYQKALVQOKLEMV-LLVKDONJSA-N 1 0 314.345 1.954 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CC[C@@H](n3cncn3)C2)c1 ZINC000372370477 483932218 /nfs/dbraw/zinc/93/22/18/483932218.db2.gz UBSAKUIZRVSRHK-KGLIPLIRSA-N 1 0 303.322 1.167 20 5 DDBDRO C[C@@H]1CN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)[C@H](C)C[NH2+]1 ZINC000417232757 534313306 /nfs/dbraw/zinc/31/33/06/534313306.db2.gz MYEJLZCSGUBXTR-VXGBXAGGSA-N 1 0 306.366 1.529 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC[N@@H+]2CCCO)c1 ZINC000452363779 534318070 /nfs/dbraw/zinc/31/80/70/534318070.db2.gz MDNSZGZSKIRVDO-CYBMUJFWSA-N 1 0 321.377 1.480 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H]1CCCC[C@H]1[NH3+] ZINC000424298371 534338485 /nfs/dbraw/zinc/33/84/85/534338485.db2.gz DBJPYVNVXYHVDI-CHWSQXEVSA-N 1 0 306.366 1.701 20 5 DDBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000417931709 534472798 /nfs/dbraw/zinc/47/27/98/534472798.db2.gz CEHLUWWOVIGDOS-UONOGXRCSA-N 1 0 318.377 1.388 20 5 DDBDRO CCNC(=O)C(C)(C)[NH2+]Cc1ccc([N+](=O)[O-])c(OCC)c1 ZINC000459601515 528035241 /nfs/dbraw/zinc/03/52/41/528035241.db2.gz XIHHKCRQRAOGMG-UHFFFAOYSA-N 1 0 309.366 1.998 20 5 DDBDRO CCC[C@H](O)[C@@H](CO)[NH2+]Cc1cc([N+](=O)[O-])ccc1OCC ZINC000419818088 528295360 /nfs/dbraw/zinc/29/53/60/528295360.db2.gz LBKFVUBDRQMUDR-KGLIPLIRSA-N 1 0 312.366 1.605 20 5 DDBDRO CC(C)[C@@H](C(=O)OCCn1ccc([N+](=O)[O-])n1)[NH+]1CCCC1 ZINC000748130110 700101433 /nfs/dbraw/zinc/10/14/33/700101433.db2.gz VNAPHNBAGFNZJR-ZDUSSCGKSA-N 1 0 310.354 1.455 20 5 DDBDRO C[C@@H]([NH3+])[C@H]1CN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCO1 ZINC000127798496 696774420 /nfs/dbraw/zinc/77/44/20/696774420.db2.gz MYRBRIMBRNXSTJ-PRHODGIISA-N 1 0 313.741 1.436 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H](C[NH+](C)C)C(C)C ZINC000748847564 700138568 /nfs/dbraw/zinc/13/85/68/700138568.db2.gz AYSPHVHMURYGHX-LBPRGKRZSA-N 1 0 311.386 1.192 20 5 DDBDRO C[NH+](C)C1CC(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000773489366 697767408 /nfs/dbraw/zinc/76/74/08/697767408.db2.gz VTOKSRSDWDVZLF-UHFFFAOYSA-N 1 0 302.334 1.899 20 5 DDBDRO C[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1(C(N)=O)CCCC1 ZINC000776593886 698124243 /nfs/dbraw/zinc/12/42/43/698124243.db2.gz PCJQCKGWYJGRCC-CYBMUJFWSA-N 1 0 307.350 1.358 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C[C@H](O)c1ccco1 ZINC000783910597 698891350 /nfs/dbraw/zinc/89/13/50/698891350.db2.gz WFUMKVQBGDWYTD-AAEUAGOBSA-N 1 0 322.317 1.251 20 5 DDBDRO COc1ccc(NC(=O)c2n[nH]c3c2C[NH2+]CC3)cc1[N+](=O)[O-] ZINC000423724251 699145577 /nfs/dbraw/zinc/14/55/77/699145577.db2.gz MPMHMCBYZCHILV-UHFFFAOYSA-N 1 0 317.305 1.225 20 5 DDBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000725374560 699331488 /nfs/dbraw/zinc/33/14/88/699331488.db2.gz PXUYMFWRGVKPMN-GHMZBOCLSA-N 1 0 311.363 1.110 20 5 DDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)cc1 ZINC000725373216 699331595 /nfs/dbraw/zinc/33/15/95/699331595.db2.gz CZPZIHPFRGEJST-CHWSQXEVSA-N 1 0 311.363 1.110 20 5 DDBDRO CC(C)[C@@H](C[NH+](C)C)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000733166428 699581628 /nfs/dbraw/zinc/58/16/28/699581628.db2.gz PHEIYLRHMGAMSC-CYBMUJFWSA-N 1 0 324.337 1.819 20 5 DDBDRO CC(C)[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000733171658 699582095 /nfs/dbraw/zinc/58/20/95/699582095.db2.gz STNFYIIXJMOFRQ-UHFFFAOYSA-N 1 0 308.382 1.731 20 5 DDBDRO C[NH+](C)CCNC(=S)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000751917143 700326551 /nfs/dbraw/zinc/32/65/51/700326551.db2.gz GGAPAXGJTJUPAQ-UHFFFAOYSA-N 1 0 310.423 1.856 20 5 DDBDRO Cn1cc(C(C)(C)[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)cn1 ZINC000754882439 700535564 /nfs/dbraw/zinc/53/55/64/700535564.db2.gz JDCWKXCFCAJVIX-AWEZNQCLSA-N 1 0 304.350 1.887 20 5 DDBDRO C[C@H]([NH2+][C@H](CCO)C1CC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000763059629 700922930 /nfs/dbraw/zinc/92/29/30/700922930.db2.gz PVGFHZJELCRPLG-CMPLNLGQSA-N 1 0 307.350 1.672 20 5 DDBDRO C[C@@H]([NH2+][C@H](CCO)C1CC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000763059635 700923040 /nfs/dbraw/zinc/92/30/40/700923040.db2.gz PVGFHZJELCRPLG-ZYHUDNBSSA-N 1 0 307.350 1.672 20 5 DDBDRO C[NH+](C)CCNC(=S)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000763302978 700933482 /nfs/dbraw/zinc/93/34/82/700933482.db2.gz IUIMIILYTWZIPS-UHFFFAOYSA-N 1 0 322.434 1.995 20 5 DDBDRO CN1C[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1=O ZINC000765595027 701020475 /nfs/dbraw/zinc/02/04/75/701020475.db2.gz BRPMYLXCLUQIDD-ZDUSSCGKSA-N 1 0 318.377 1.384 20 5 DDBDRO CC[N@H+](CCO)CCNC(=O)/C=C(\C)c1ccc([N+](=O)[O-])cc1 ZINC000769636144 701250898 /nfs/dbraw/zinc/25/08/98/701250898.db2.gz WYLPKMRAJDQSJQ-OUKQBFOZSA-N 1 0 321.377 1.429 20 5 DDBDRO COC(=O)C[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CC1 ZINC000769792953 701256142 /nfs/dbraw/zinc/25/61/42/701256142.db2.gz BKYOVZXCUJNXEB-GFCCVEGCSA-N 1 0 318.333 1.902 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2C[C@@H]3CC[C@H](O)C[C@@H]3C2)c1 ZINC000839662243 701769752 /nfs/dbraw/zinc/76/97/52/701769752.db2.gz BKJLBXHVRVZDOR-LQKXBSAESA-N 1 0 306.362 1.721 20 5 DDBDRO COC(=O)c1ccnc(N2CC[N@H+](C)C(C)(C)CC2)c1[N+](=O)[O-] ZINC000866112528 706621891 /nfs/dbraw/zinc/62/18/91/706621891.db2.gz DYPGYHLAIXDIOF-UHFFFAOYSA-N 1 0 322.365 1.697 20 5 DDBDRO C[C@@H](NC(=O)CCNc1ccccc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000868002740 701885169 /nfs/dbraw/zinc/88/51/69/701885169.db2.gz AZXXABQDMXVHQT-GFCCVEGCSA-N 1 0 320.393 1.901 20 5 DDBDRO Cc1cc(C(=O)N2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)c(N)c([N+](=O)[O-])c1 ZINC000812336268 702160301 /nfs/dbraw/zinc/16/03/01/702160301.db2.gz VZUJMCYKGBJLNI-NEPJUHHUSA-N 1 0 318.377 1.509 20 5 DDBDRO C[N@@H+]1CC[C@H]2CN(c3cc(F)c([N+](=O)[O-])cc3CO)CC[C@H]21 ZINC000866209020 706649222 /nfs/dbraw/zinc/64/92/22/706649222.db2.gz NEVSYRSBRFUYLY-GXFFZTMASA-N 1 0 309.341 1.757 20 5 DDBDRO CO[C@H]1CC[C@@H](C)[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000879322298 706649685 /nfs/dbraw/zinc/64/96/85/706649685.db2.gz JGCPUVOPSIPDPY-MFKMUULPSA-N 1 0 307.350 1.693 20 5 DDBDRO CNC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000879334832 706653360 /nfs/dbraw/zinc/65/33/60/706653360.db2.gz NQCVVOARICHBPF-AWEZNQCLSA-N 1 0 306.366 1.878 20 5 DDBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)[C@]1(F)CC[NH2+]C1 ZINC000831218083 706660696 /nfs/dbraw/zinc/66/06/96/706660696.db2.gz SSLNKLHDSIUVNQ-LBPRGKRZSA-N 1 0 301.705 1.566 20 5 DDBDRO C[NH+](C)C1(CNC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000841454552 702454864 /nfs/dbraw/zinc/45/48/64/702454864.db2.gz CKTTYKNPJQISPG-UHFFFAOYSA-N 1 0 313.304 1.897 20 5 DDBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC(=O)NCC(F)F ZINC000866351145 706679126 /nfs/dbraw/zinc/67/91/26/706679126.db2.gz MYMWXDIHCJWXAR-MRVPVSSYSA-N 1 0 319.283 1.636 20 5 DDBDRO C[C@@H]1CC2(CN1C(=O)c1ccc(N)c([N+](=O)[O-])c1)CC[NH2+]CC2 ZINC000818290355 702624832 /nfs/dbraw/zinc/62/48/32/702624832.db2.gz HCTJEJNPWMNFDG-LLVKDONJSA-N 1 0 318.377 1.781 20 5 DDBDRO C[C@@H](C[NH3+])CNC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000841962585 702637017 /nfs/dbraw/zinc/63/70/17/702637017.db2.gz LAYCUIYQZUZJQV-LBPRGKRZSA-N 1 0 321.381 1.021 20 5 DDBDRO O=c1oc(-c2ccccc2[N+](=O)[O-])nn1CC[NH+]1CCCC1 ZINC000842570109 702734188 /nfs/dbraw/zinc/73/41/88/702734188.db2.gz BTWTYHXJESCRNH-UHFFFAOYSA-N 1 0 304.306 1.507 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@@]2(CCO)CCOC2)c1 ZINC000843100292 702819085 /nfs/dbraw/zinc/81/90/85/702819085.db2.gz IJGJQUVTJJZHRZ-HUUCEWRRSA-N 1 0 310.350 1.007 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)NC[C@H]2CCCC[NH2+]2)cc1[N+](=O)[O-] ZINC000843321855 702859201 /nfs/dbraw/zinc/85/92/01/702859201.db2.gz NILNIMYVYAPKQS-LLVKDONJSA-N 1 0 322.321 1.683 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)cc1[N+](=O)[O-] ZINC000843347046 702863706 /nfs/dbraw/zinc/86/37/06/702863706.db2.gz QZLCGXSFWYIWKF-LDYMZIIASA-N 1 0 322.321 1.621 20 5 DDBDRO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000843362141 702866503 /nfs/dbraw/zinc/86/65/03/702866503.db2.gz SUKFVCYOEDAVFR-YHWZYXNKSA-N 1 0 318.377 1.878 20 5 DDBDRO Cc1cc(F)cc(C(=O)N[C@@H](CC[NH3+])C(F)F)c1[N+](=O)[O-] ZINC000843484569 702890831 /nfs/dbraw/zinc/89/08/31/702890831.db2.gz UBBYCSWWMNFJHV-VIFPVBQESA-N 1 0 305.256 1.755 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(Cc3ccc(C(N)=O)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000879574459 706723555 /nfs/dbraw/zinc/72/35/55/706723555.db2.gz AAQVEZOWIHEPMO-KGLIPLIRSA-N 1 0 318.377 1.220 20 5 DDBDRO CC(C)[C@H](C[NH+](C)C)NC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000845503355 703165424 /nfs/dbraw/zinc/16/54/24/703165424.db2.gz CRCIININLUGDEL-ZDUSSCGKSA-N 1 0 311.357 1.979 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NOC1CC[NH+](C)CC1 ZINC000846651900 703308625 /nfs/dbraw/zinc/30/86/25/703308625.db2.gz ZVFRUMQMRWFJBC-UHFFFAOYSA-N 1 0 307.350 1.967 20 5 DDBDRO O=[N+]([O-])c1cccc(C[NH2+]CC[S@](=O)CC(F)(F)F)c1 ZINC000850349457 703725958 /nfs/dbraw/zinc/72/59/58/703725958.db2.gz FQWZYVWCTHLULS-FQEVSTJZSA-N 1 0 310.297 1.995 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000851649287 703822602 /nfs/dbraw/zinc/82/26/02/703822602.db2.gz VESFCLJJILFYLM-VXGBXAGGSA-N 1 0 310.329 1.172 20 5 DDBDRO CCO[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1C)C[NH+](C)C ZINC000831751560 706771275 /nfs/dbraw/zinc/77/12/75/706771275.db2.gz NEZJGJDPTAXEIL-CYBMUJFWSA-N 1 0 309.366 1.600 20 5 DDBDRO C[NH2+][C@H]1CCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC000818557191 703924684 /nfs/dbraw/zinc/92/46/84/703924684.db2.gz LJHGPWPKUHMRQH-VIFPVBQESA-N 1 0 315.732 1.750 20 5 DDBDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000818563507 703927066 /nfs/dbraw/zinc/92/70/66/703927066.db2.gz NSIPWSVXQJTLRC-MNOVXSKESA-N 1 0 306.366 1.470 20 5 DDBDRO O=C(CCN1CCC[C@H]2[NH2+]CC[C@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000866722334 706775831 /nfs/dbraw/zinc/77/58/31/706775831.db2.gz XFHPCHRHWZGYIG-TZMCWYRMSA-N 1 0 318.377 1.750 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC[C@@H](Cn3ccnn3)C2)c1 ZINC000852314407 704008157 /nfs/dbraw/zinc/00/81/57/704008157.db2.gz SKLMQWZKHGTNQG-IUODEOHRSA-N 1 0 317.349 1.242 20 5 DDBDRO CC(C)(C)[S@@](=O)CC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819057013 704062031 /nfs/dbraw/zinc/06/20/31/704062031.db2.gz RHPMPASFLWGNLI-ZSEKCTLFSA-N 1 0 314.407 1.765 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCC[C@](O)(C3CC3)C2)cc1 ZINC000852500767 704064116 /nfs/dbraw/zinc/06/41/16/704064116.db2.gz DKDYKZIVGDFEFH-JKSUJKDBSA-N 1 0 306.362 1.865 20 5 DDBDRO CC[C@@H](C[NH+](C)C)OC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000870549890 704074175 /nfs/dbraw/zinc/07/41/75/704074175.db2.gz JMHAVKRXWODRSQ-JTQLQIEISA-N 1 0 310.306 1.821 20 5 DDBDRO Cn1nccc1CC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000819232894 704091605 /nfs/dbraw/zinc/09/16/05/704091605.db2.gz JFJFAQCCOYJIBI-UHFFFAOYSA-N 1 0 317.349 1.489 20 5 DDBDRO COc1cccnc1C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819356143 704112404 /nfs/dbraw/zinc/11/24/04/704112404.db2.gz ASGGSBIWORZHNO-AWEZNQCLSA-N 1 0 303.318 1.822 20 5 DDBDRO Cc1n[nH]cc1CCC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819390996 704119552 /nfs/dbraw/zinc/11/95/52/704119552.db2.gz WFPKWOAFZSAGDQ-OAHLLOKOSA-N 1 0 304.350 1.882 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)NCC[C@@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000852917048 704171936 /nfs/dbraw/zinc/17/19/36/704171936.db2.gz GJTWHBFZCKZIBQ-LLVKDONJSA-N 1 0 324.337 1.915 20 5 DDBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000870967566 704184697 /nfs/dbraw/zinc/18/46/97/704184697.db2.gz BOFWBEQXBMKHJP-MXWKQRLJSA-N 1 0 309.391 1.929 20 5 DDBDRO O=c1c(F)cc([N+](=O)[O-])cn1Cc1cccc2c1CC[NH2+]C2 ZINC000853135985 704202848 /nfs/dbraw/zinc/20/28/48/704202848.db2.gz PINFGQDKYYXUJM-UHFFFAOYSA-N 1 0 303.293 1.590 20 5 DDBDRO C[N@@H+]1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)CCC1(C)C ZINC000871151916 704231155 /nfs/dbraw/zinc/23/11/55/704231155.db2.gz GCSJLHXMTYFZHA-UHFFFAOYSA-N 1 0 321.377 1.916 20 5 DDBDRO Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cc1 ZINC000871188496 704240676 /nfs/dbraw/zinc/24/06/76/704240676.db2.gz QAKIADHBLYIWOI-RBSFLKMASA-N 1 0 303.362 1.351 20 5 DDBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000820502653 704291277 /nfs/dbraw/zinc/29/12/77/704291277.db2.gz BEJVOKYTSMJXLK-BXUZGUMPSA-N 1 0 320.393 1.825 20 5 DDBDRO [NH3+][C@H](CNC(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000857763262 704621769 /nfs/dbraw/zinc/62/17/69/704621769.db2.gz SEXWKFKQGDRUAI-LLVKDONJSA-N 1 0 315.276 1.420 20 5 DDBDRO CON(C)C(=O)[C@@H](C)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000858587151 704731299 /nfs/dbraw/zinc/73/12/99/704731299.db2.gz IXYBCYBQQSBNKT-YGRLFVJLSA-N 1 0 307.350 1.970 20 5 DDBDRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)Cn1c(C)ncc1[N+](=O)[O-] ZINC000821782349 704805662 /nfs/dbraw/zinc/80/56/62/704805662.db2.gz XIOQGUOYTKPXFP-GFCCVEGCSA-N 1 0 309.370 1.042 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000821892127 704835862 /nfs/dbraw/zinc/83/58/62/704835862.db2.gz XNXAHHCHHJZSHF-UHFFFAOYSA-N 1 0 321.381 1.233 20 5 DDBDRO COc1cc(Cc2noc(C[C@H](C[NH3+])OC)n2)ccc1[N+](=O)[O-] ZINC000822863419 705063850 /nfs/dbraw/zinc/06/38/50/705063850.db2.gz RTHYSPHQUJAIBD-SNVBAGLBSA-N 1 0 322.321 1.093 20 5 DDBDRO COCC1(c2nc(-c3ccc([N+](=O)[O-])o3)no2)CC[NH2+]CC1 ZINC000823269538 705189131 /nfs/dbraw/zinc/18/91/31/705189131.db2.gz IFJLXPDXPMOWDF-UHFFFAOYSA-N 1 0 308.294 1.505 20 5 DDBDRO CCc1n[nH]c(C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3C)c1[N+](=O)[O-] ZINC000874842039 705196627 /nfs/dbraw/zinc/19/66/27/705196627.db2.gz ZNFYMKGSWSYDER-QWRGUYRKSA-N 1 0 307.354 1.189 20 5 DDBDRO O=[N+]([O-])c1cccc(CCc2nc(N3CC[NH2+]CC3)no2)c1 ZINC000823334775 705211371 /nfs/dbraw/zinc/21/13/71/705211371.db2.gz LVBPTQHZPGLQAM-UHFFFAOYSA-N 1 0 303.322 1.173 20 5 DDBDRO CNc1ccc([N+](=O)[O-])cc1NC(=O)COC1CC[NH+](C)CC1 ZINC000823471525 705250958 /nfs/dbraw/zinc/25/09/58/705250958.db2.gz YTQDUENWNQVWSP-UHFFFAOYSA-N 1 0 322.365 1.686 20 5 DDBDRO CCCN(C(=O)Cn1c(C)ncc1[N+](=O)[O-])[C@@H]1CC[N@H+](C)C1 ZINC000823500095 705256179 /nfs/dbraw/zinc/25/61/79/705256179.db2.gz UPURNWSOZZZJIO-GFCCVEGCSA-N 1 0 309.370 1.042 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000825188856 705619881 /nfs/dbraw/zinc/61/98/81/705619881.db2.gz QKOHCFCCBZIRID-WDEREUQCSA-N 1 0 306.366 1.518 20 5 DDBDRO C[C@@](CO)(NC(=O)C[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000825257627 705634478 /nfs/dbraw/zinc/63/44/78/705634478.db2.gz DDYBPLCLMNQARV-HNNXBMFYSA-N 1 0 307.350 1.014 20 5 DDBDRO CC(C)CN(CC[NH+](C)C)C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825721419 705721626 /nfs/dbraw/zinc/72/16/26/705721626.db2.gz NBZCVADUDQAJEM-OAHLLOKOSA-N 1 0 323.393 1.674 20 5 DDBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876702827 705826978 /nfs/dbraw/zinc/82/69/78/705826978.db2.gz FHMXUKWPOWIDKE-QPUJVOFHSA-N 1 0 315.732 1.812 20 5 DDBDRO O=C(NC[C@@H]1C[NH2+]CCO1)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000876916536 705922432 /nfs/dbraw/zinc/92/24/32/705922432.db2.gz CSQUOHRIKGBGDP-ZDUSSCGKSA-N 1 0 315.329 1.466 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N(C)C[C@H](C)[NH3+] ZINC000863565581 705959062 /nfs/dbraw/zinc/95/90/62/705959062.db2.gz NOYMPYGTOCMCQR-VHSXEESVSA-N 1 0 310.354 1.209 20 5 DDBDRO O=C(NC[C@H]1COCC[NH2+]1)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000877039479 705968505 /nfs/dbraw/zinc/96/85/05/705968505.db2.gz KTSGHQIQRAKKNH-LBPRGKRZSA-N 1 0 315.329 1.466 20 5 DDBDRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877642759 706167600 /nfs/dbraw/zinc/16/76/00/706167600.db2.gz SXMTUUJYXNYEPE-UHGWMABZSA-N 1 0 308.338 1.426 20 5 DDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@@H]3[C@H]4C[C@H]5CO[C@H]3[C@H]5C4)C2)c1 ZINC000877681088 706178612 /nfs/dbraw/zinc/17/86/12/706178612.db2.gz DNKLFMPWBQKNNT-PJEZPMBWSA-N 1 0 304.350 1.508 20 5 DDBDRO O=[N+]([O-])c1c(NC[C@@H]2CCCC[N@H+]2CCO)nc2ccccn21 ZINC000828461294 706184319 /nfs/dbraw/zinc/18/43/19/706184319.db2.gz RINPJDQMMKUOJL-LBPRGKRZSA-N 1 0 319.365 1.501 20 5 DDBDRO O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3CC[C@@H](O)[C@@H](O)C3)o2)c1 ZINC000877748401 706198040 /nfs/dbraw/zinc/19/80/40/706198040.db2.gz AOXVMOKFOTUQQR-CABCVRRESA-N 1 0 318.329 1.782 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])c(F)cc3N)C[C@@H]21 ZINC000836849705 707529312 /nfs/dbraw/zinc/52/93/12/707529312.db2.gz PUPXUGUFNURNTL-OQPBUACISA-N 1 0 308.313 1.092 20 5 DDBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000882483475 707654161 /nfs/dbraw/zinc/65/41/61/707654161.db2.gz BGYXGWGPFYHXRA-CYBMUJFWSA-N 1 0 317.349 1.155 20 5 DDBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC000882491637 707662127 /nfs/dbraw/zinc/66/21/27/707662127.db2.gz KDIDIKQXPHSANY-GFCCVEGCSA-N 1 0 307.350 1.736 20 5 DDBDRO O=[N+]([O-])c1cc(CO)c(NC[C@@H]2CSCC[NH2+]2)cc1F ZINC000882728102 707763702 /nfs/dbraw/zinc/76/37/02/707763702.db2.gz OACUVWLWTLIPQK-SECBINFHSA-N 1 0 301.343 1.343 20 5 DDBDRO Cn1cc(CN2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)c([N+](=O)[O-])n1 ZINC000883427813 707999028 /nfs/dbraw/zinc/99/90/28/707999028.db2.gz CUQCPLCHNRWKFS-UONOGXRCSA-N 1 0 301.350 1.255 20 5 DDBDRO C[NH2+]C[C@H]1CCCCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000883448431 708004726 /nfs/dbraw/zinc/00/47/26/708004726.db2.gz FCZPWWZEIZKDMY-CQSZACIVSA-N 1 0 320.393 1.916 20 5 DDBDRO C[NH2+][C@@H](CC(C)C)C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000884059609 708121485 /nfs/dbraw/zinc/12/14/85/708121485.db2.gz YFMCQQRHAKEJML-AWEZNQCLSA-N 1 0 308.382 1.757 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N(C)CC(C)(C)C[NH+](C)C)n1 ZINC000897419338 708321379 /nfs/dbraw/zinc/32/13/79/708321379.db2.gz GGQZFIOESIMBEI-UHFFFAOYSA-N 1 0 324.381 1.800 20 5 DDBDRO CN1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC[N@H+](C)CC1 ZINC000897854963 708470691 /nfs/dbraw/zinc/47/06/91/708470691.db2.gz QGYPUWYMLCGSMU-ALCCZGGFSA-N 1 0 318.421 1.787 20 5 DDBDRO C[N@H+](CCCO)C1CCN(Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886012518 708681609 /nfs/dbraw/zinc/68/16/09/708681609.db2.gz JMDFKUVQZZPPQY-UHFFFAOYSA-N 1 0 308.382 1.268 20 5 DDBDRO O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC([NH+]2CCCC2)C1 ZINC000898613246 708811792 /nfs/dbraw/zinc/81/17/92/708811792.db2.gz YDGXKUOJWYOBQR-UHFFFAOYSA-N 1 0 314.345 1.996 20 5 DDBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(O)(COCCO)CC1 ZINC000886741156 708831373 /nfs/dbraw/zinc/83/13/73/708831373.db2.gz WOXXAYYJAYSWQW-ZDUSSCGKSA-N 1 0 324.377 1.492 20 5 DDBDRO C[C@H](CNC(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C)c1ccccc1[N+](=O)[O-] ZINC000887399068 709036626 /nfs/dbraw/zinc/03/66/26/709036626.db2.gz MBGMKGZHPLNGQO-HSMVNMDESA-N 1 0 321.377 1.270 20 5 DDBDRO C[C@H]1CN(C(=O)c2ccc(C[NH2+]CC[N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000899876187 709224705 /nfs/dbraw/zinc/22/47/05/709224705.db2.gz OYIOJVFLZUVFKG-STQMWFEESA-N 1 0 321.377 1.302 20 5 DDBDRO C[C@@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000912814180 713099095 /nfs/dbraw/zinc/09/90/95/713099095.db2.gz TUNDFIFBOJLZSO-GXTWGEPZSA-N 1 0 323.397 1.370 20 5 DDBDRO Cc1cc(C(=O)N2CCN(C)CC[N@@H+](C)CC2)ccc1[N+](=O)[O-] ZINC000888999185 709428795 /nfs/dbraw/zinc/42/87/95/709428795.db2.gz YFQWPEIDIIJGBF-UHFFFAOYSA-N 1 0 320.393 1.223 20 5 DDBDRO O=C([C@@H](O)c1cccc([N+](=O)[O-])c1)N1CCC([NH+]2CCC2)CC1 ZINC000912870674 713112132 /nfs/dbraw/zinc/11/21/32/713112132.db2.gz DUQVGPZDMBYPJQ-HNNXBMFYSA-N 1 0 319.361 1.325 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[N@H+](CC)C[C@H]2C)n1 ZINC000910279789 709862075 /nfs/dbraw/zinc/86/20/75/709862075.db2.gz NCCTXQRPUDQRJA-LLVKDONJSA-N 1 0 309.370 1.368 20 5 DDBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000891537947 710230595 /nfs/dbraw/zinc/23/05/95/710230595.db2.gz OGTDARVBADISIV-TXEJJXNPSA-N 1 0 320.349 1.119 20 5 DDBDRO Cc1c(CNC(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)cccc1[N+](=O)[O-] ZINC000891850006 710308996 /nfs/dbraw/zinc/30/89/96/710308996.db2.gz WUQVBYXZYGLGFJ-DZGCQCFKSA-N 1 0 318.377 1.939 20 5 DDBDRO C[C@@]1(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)C[NH+]2CCC1CC2 ZINC000892782723 710497543 /nfs/dbraw/zinc/49/75/43/710497543.db2.gz BDZZGTPSLYTOHA-OAHLLOKOSA-N 1 0 307.325 1.948 20 5 DDBDRO C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000893069433 710550214 /nfs/dbraw/zinc/55/02/14/710550214.db2.gz STPVRIJJNJQWJF-WCQYABFASA-N 1 0 312.391 1.550 20 5 DDBDRO C[C@@H]1[C@@H](NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000928435442 713194929 /nfs/dbraw/zinc/19/49/29/713194929.db2.gz GOTSLOXNZUWBCY-SKDRFNHKSA-N 1 0 313.304 1.895 20 5 DDBDRO C[C@H]1[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CC[N@@H+]1C ZINC000928455744 713204544 /nfs/dbraw/zinc/20/45/44/713204544.db2.gz UMMYINBGMWZOOQ-GXFFZTMASA-N 1 0 306.366 1.483 20 5 DDBDRO C[C@H]1[C@@H](NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CC[N@@H+]1C ZINC000928459990 713206327 /nfs/dbraw/zinc/20/63/27/713206327.db2.gz YYGSZSDOSAXUHI-GWCFXTLKSA-N 1 0 317.349 1.153 20 5 DDBDRO C[N@@H+]1CC[C@@H](CC(=O)NCc2cc([N+](=O)[O-])c(F)cc2F)C1 ZINC000911473113 710813007 /nfs/dbraw/zinc/81/30/07/710813007.db2.gz QVOAZVFUMXUAGK-VIFPVBQESA-N 1 0 313.304 1.831 20 5 DDBDRO C[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000911737105 710958671 /nfs/dbraw/zinc/95/86/71/710958671.db2.gz YKSRXNIKCYXOTR-SNPRPXQTSA-N 1 0 303.362 1.909 20 5 DDBDRO C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000911778719 710981737 /nfs/dbraw/zinc/98/17/37/710981737.db2.gz UCVWOSHRQJXIOS-CQDKDKBSSA-N 1 0 303.362 1.766 20 5 DDBDRO CN(CCC[N@H+](C)Cc1ccncc1)c1c([N+](=O)[O-])cnn1C ZINC000894372897 711092199 /nfs/dbraw/zinc/09/21/99/711092199.db2.gz UJXGSAPLUKVLRP-UHFFFAOYSA-N 1 0 318.381 1.682 20 5 DDBDRO CCc1nnc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])s1 ZINC000894449329 711125263 /nfs/dbraw/zinc/12/52/63/711125263.db2.gz UMCOEKTWTDITLR-UHFFFAOYSA-N 1 0 307.379 1.974 20 5 DDBDRO C[NH2+]C[C@@H]1CCCCN1CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000903530261 711172806 /nfs/dbraw/zinc/17/28/06/711172806.db2.gz VGGSXLMSFOVTLS-ZDUSSCGKSA-N 1 0 320.393 1.916 20 5 DDBDRO CN(C(=O)CN1CCC[C@@]12CC[NH2+]C2)c1ccc([N+](=O)[O-])cc1 ZINC000903864028 711307850 /nfs/dbraw/zinc/30/78/50/711307850.db2.gz GCENCTRDXKSRRT-INIZCTEOSA-N 1 0 318.377 1.386 20 5 DDBDRO CCC[C@@H]1CN(c2ccc(C(=O)NC)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000895059030 711391396 /nfs/dbraw/zinc/39/13/96/711391396.db2.gz QQJSHFHAMCYBJD-GFCCVEGCSA-N 1 0 306.366 1.533 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H]2C[C@@H]2c2nc(N3CC[NH2+]CC3)no2)c1 ZINC000904740940 711888487 /nfs/dbraw/zinc/88/84/87/711888487.db2.gz QNVCUTAYSAYFCN-STQMWFEESA-N 1 0 315.333 1.659 20 5 DDBDRO O=[N+]([O-])c1ccccc1CC[NH2+]C[C@H](O)CCC1(O)CCC1 ZINC000905141045 711949125 /nfs/dbraw/zinc/94/91/25/711949125.db2.gz ZTRVVTHISGGFHI-CQSZACIVSA-N 1 0 308.378 1.783 20 5 DDBDRO O=[N+]([O-])CC[NH2+]C[C@@H](CO)Cc1ccccc1C(F)(F)F ZINC000905339748 712006905 /nfs/dbraw/zinc/00/69/05/712006905.db2.gz BXCZHUKEIKLCAI-JTQLQIEISA-N 1 0 306.284 1.723 20 5 DDBDRO C[C@@H]1COC[C@@H]1[NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000905868334 712170528 /nfs/dbraw/zinc/17/05/28/712170528.db2.gz RPATVSWMOZZJEW-SWHYSGLUSA-N 1 0 305.334 1.325 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC1CC([NH+](C)C)C1 ZINC000916964657 713476137 /nfs/dbraw/zinc/47/61/37/713476137.db2.gz OHETYVWDJVDDME-UHFFFAOYSA-N 1 0 313.379 1.274 20 5 DDBDRO O=[N+]([O-])c1c(N2CC[N@@H+]3CCCC[C@H]3C2)nc2ccccn21 ZINC000917059423 713480277 /nfs/dbraw/zinc/48/02/77/713480277.db2.gz YPFZBMCDQSEMDJ-LBPRGKRZSA-N 1 0 301.350 1.917 20 5 DDBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000931046195 713990075 /nfs/dbraw/zinc/99/00/75/713990075.db2.gz SPPLQYAHOMAXDC-GWCFXTLKSA-N 1 0 306.366 1.218 20 5 DDBDRO C[C@@](CO)([NH2+]CCO[C@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000931469796 714105211 /nfs/dbraw/zinc/10/52/11/714105211.db2.gz YCYUEJKNSRXBSW-GJZGRUSLSA-N 1 0 310.350 1.197 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000923316461 714309700 /nfs/dbraw/zinc/30/97/00/714309700.db2.gz UYPYRRLXQDCSDC-NWDGAFQWSA-N 1 0 304.350 1.486 20 5 DDBDRO CCC[C@H]1C[NH2+]CCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000923332547 714318029 /nfs/dbraw/zinc/31/80/29/714318029.db2.gz REABILICTOXDDF-LSDHHAIUSA-N 1 0 323.393 1.408 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC3(CC[NH2+]3)CC2)c1 ZINC000923382082 714335525 /nfs/dbraw/zinc/33/55/25/714335525.db2.gz QPTVWANHKJSIGH-AWEZNQCLSA-N 1 0 321.377 1.162 20 5 DDBDRO C[C@H]1COC[C@H]1[NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000932493549 714345573 /nfs/dbraw/zinc/34/55/73/714345573.db2.gz HUTLBEAXRAVMAU-GZMMTYOYSA-N 1 0 313.741 1.811 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H]1COC[C@H]1C ZINC000932495193 714346479 /nfs/dbraw/zinc/34/64/79/714346479.db2.gz VWDBQJPFLAFNPR-BXUZGUMPSA-N 1 0 307.350 1.856 20 5 DDBDRO CCOC(=O)[C@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000932648672 714376300 /nfs/dbraw/zinc/37/63/00/714376300.db2.gz ZOGASRYZLCEIQH-LBPRGKRZSA-N 1 0 308.334 1.859 20 5 DDBDRO Cc1ccc(CNC(=O)N[C@H]2CC[N@H+](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000923910128 714488171 /nfs/dbraw/zinc/48/81/71/714488171.db2.gz JLDIKBRDZCQZHY-YPMHNXCESA-N 1 0 306.366 1.795 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@]23C[C@H]2COC32CCC2)c1 ZINC000933389403 714580376 /nfs/dbraw/zinc/58/03/76/714580376.db2.gz HAWQATDEHPBLQH-DUVNUKRYSA-N 1 0 304.346 1.929 20 5 DDBDRO C/C(=C\C(=O)NC[C@@H]1C[C@H](O)C[N@H+]1C)c1ccc([N+](=O)[O-])cc1 ZINC000924982051 714714901 /nfs/dbraw/zinc/71/49/01/714714901.db2.gz OPLBNAWKSQZRGY-LBXBEFBNSA-N 1 0 319.361 1.179 20 5 DDBDRO C[N@@H+]1CC[C@@H]1CNC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000925422596 714851592 /nfs/dbraw/zinc/85/15/92/714851592.db2.gz ZZWOADTWQXPCAH-GFCCVEGCSA-N 1 0 320.349 1.072 20 5 DDBDRO COc1ccc(NC(=O)COC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000935324472 715028584 /nfs/dbraw/zinc/02/85/84/715028584.db2.gz NCXLGZMJPJOQHT-UHFFFAOYSA-N 1 0 323.349 1.653 20 5 DDBDRO CC(C)CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC[C@@H]2C1 ZINC000946589338 718844485 /nfs/dbraw/zinc/84/44/85/718844485.db2.gz SZHXDZOQWRKZKD-QKPAOTATSA-N 1 0 323.437 1.868 20 5 DDBDRO C[N@@H+]1CCO[C@H]2CN(c3ccc4c(cccc4[N+](=O)[O-])n3)C[C@H]21 ZINC001164666133 719391344 /nfs/dbraw/zinc/39/13/44/719391344.db2.gz JJVUPWXEAOJVJT-CABCVRRESA-N 1 0 314.345 1.662 20 5 DDBDRO COC(=O)c1cnc(N2CCC[C@H]([NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000276626184 721888990 /nfs/dbraw/zinc/88/89/90/721888990.db2.gz VJXIZCICROXMTR-NSHDSACASA-N 1 0 308.338 1.307 20 5 DDBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CCC[C@@H]([NH+](C)C)C2)n1 ZINC001165038879 721898996 /nfs/dbraw/zinc/89/89/96/721898996.db2.gz SOMDSSVUJMDIGT-LLVKDONJSA-N 1 0 322.369 1.182 20 5 DDBDRO O=C(Cc1cccnc1)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001125700962 735336169 /nfs/dbraw/zinc/33/61/69/735336169.db2.gz GPJBYMXPJILGNY-UHFFFAOYSA-N 1 0 314.345 1.438 20 5 DDBDRO O=C(CC1CC1)N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC001025649151 736808668 /nfs/dbraw/zinc/80/86/68/736808668.db2.gz DSTLKAPDTXOJHS-HALDLXJZSA-N 1 0 315.373 1.941 20 5 DDBDRO O=C(CC1CC1)N[C@@H]1[C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC001025649168 736808744 /nfs/dbraw/zinc/80/87/44/736808744.db2.gz QNGQZUQAHYYCMK-QLPKVWCKSA-N 1 0 315.373 1.941 20 5 DDBDRO COC(=O)[C@@H](CCC[NH3+])Nc1cc([N+](=O)[O-])ccc1Cl ZINC001167897000 739198905 /nfs/dbraw/zinc/19/89/05/739198905.db2.gz BAXFNUZHOFERSN-SNVBAGLBSA-N 1 0 301.730 1.941 20 5 DDBDRO Cc1nc(N(C)CCN(C)C(=O)CC[NH+](C)C)ccc1[N+](=O)[O-] ZINC001105554020 742112759 /nfs/dbraw/zinc/11/27/59/742112759.db2.gz MLNIOJOYWIFDLK-UHFFFAOYSA-N 1 0 323.397 1.145 20 5 DDBDRO CCN(CCNc1ccc([N+](=O)[O-])cn1)C(=O)C[NH+](CC)CC ZINC001106775900 746059132 /nfs/dbraw/zinc/05/91/32/746059132.db2.gz KYIIBDGNFXZWCN-UHFFFAOYSA-N 1 0 323.397 1.592 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1CN1CC[C@@H](c2nn[nH]n2)C1 ZINC001197295840 747123533 /nfs/dbraw/zinc/12/35/33/747123533.db2.gz INRIEEHDIKZKRZ-SNVBAGLBSA-N 1 0 304.310 1.106 20 5 DDBDRO Cc1cccnc1[C@H](C)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001198642327 747560044 /nfs/dbraw/zinc/56/00/44/747560044.db2.gz YVQMTKSCFULRJN-WCQYABFASA-N 1 0 305.338 1.206 20 5 DDBDRO Cc1cccnc1[C@@H](C)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001198642326 747560131 /nfs/dbraw/zinc/56/01/31/747560131.db2.gz YVQMTKSCFULRJN-DGCLKSJQSA-N 1 0 305.338 1.206 20 5 DDBDRO C[NH+](C)CCC(=O)N[C@H]1C[C@H](CNc2ncccc2[N+](=O)[O-])C1 ZINC001114813748 751115666 /nfs/dbraw/zinc/11/56/66/751115666.db2.gz PXYJAQUGWXXIHA-HAQNSBGRSA-N 1 0 321.381 1.248 20 5 DDBDRO Cc1cc(-n2nnc(-c3cccc(C[NH3+])c3)n2)ncc1[N+](=O)[O-] ZINC001168880576 762102373 /nfs/dbraw/zinc/10/23/73/762102373.db2.gz VLSYYNPVCAQLSN-UHFFFAOYSA-N 1 0 311.305 1.400 20 5 DDBDRO COCCOc1nccc(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)n1 ZINC001168997124 762169446 /nfs/dbraw/zinc/16/94/46/762169446.db2.gz BOOLHECJYZTLIX-VXGBXAGGSA-N 1 0 310.354 1.037 20 5 DDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2ccnc(OCC3CC3)n2)C1 ZINC001168998102 762169922 /nfs/dbraw/zinc/16/99/22/762169922.db2.gz IFLZVWHBWLISMT-STQMWFEESA-N 1 0 306.366 1.800 20 5 DDBDRO CCOC[C@H]1Cn2nccc2C[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169025780 762203120 /nfs/dbraw/zinc/20/31/20/762203120.db2.gz UWQQZUWGWUMIDE-KFWWJZLASA-N 1 0 322.409 1.797 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCC[C@H](Oc3ncccn3)C2)C1 ZINC001169053136 762207758 /nfs/dbraw/zinc/20/77/58/762207758.db2.gz HQHGIWFPRMVVCW-RDBSUJKOSA-N 1 0 306.366 1.765 20 5 DDBDRO COc1cc(O[C@@H]2CC[N@@H+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)ccn1 ZINC001169056368 762211343 /nfs/dbraw/zinc/21/13/43/762211343.db2.gz SLESEXBMHIKDRB-VNHYZAJKSA-N 1 0 321.377 1.989 20 5 DDBDRO O=C(N[C@@H]1CCC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1)C1CCC1 ZINC001169057440 762211360 /nfs/dbraw/zinc/21/13/60/762211360.db2.gz VIOXNHDUPCBKPX-NWANDNLSSA-N 1 0 309.410 1.813 20 5 DDBDRO COc1nc(SC)nc(-n2ccc([C@@H](C)[NH3+])n2)c1[N+](=O)[O-] ZINC001169227754 762289448 /nfs/dbraw/zinc/28/94/48/762289448.db2.gz FDRYBLJWOAICJG-ZCFIWIBFSA-N 1 0 310.339 1.321 20 5 DDBDRO Cc1cc(C[NH3+])nn1-c1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC001163985454 755643013 /nfs/dbraw/zinc/64/30/13/755643013.db2.gz RFWJJKOTAVXMJE-UHFFFAOYSA-N 1 0 301.228 1.961 20 5 DDBDRO CC(=O)N1CCc2cc(-n3ccc(C[NH3+])c3)cc([N+](=O)[O-])c21 ZINC001169725512 762609171 /nfs/dbraw/zinc/60/91/71/762609171.db2.gz ISUDMHYCVOTNMM-UHFFFAOYSA-N 1 0 300.318 1.753 20 5 DDBDRO O=C(NC[C@H]1C[C@@H]([NH2+]CC2CC(F)(F)C2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001086084300 760944576 /nfs/dbraw/zinc/94/45/76/760944576.db2.gz LMJRTKWALNSUDE-SASUGWTJSA-N 1 0 317.336 1.181 20 5 DDBDRO COc1ccc(C[C@@H](C)[NH2+][C@@H]2CCCC(=O)NC2)c([N+](=O)[O-])c1 ZINC001170305842 766231617 /nfs/dbraw/zinc/23/16/17/766231617.db2.gz QPFSRAWVAGNYHH-DGCLKSJQSA-N 1 0 321.377 1.793 20 5 DDBDRO COc1ccc(C[C@H](C)[NH2+][C@H](CO)[C@@H]2CCOC2)c([N+](=O)[O-])c1 ZINC001170318624 766249631 /nfs/dbraw/zinc/24/96/31/766249631.db2.gz QHPMOCXNFZDOGP-NJZAAPMLSA-N 1 0 324.377 1.521 20 5 DDBDRO COc1ccc(C[C@H](C)[N@@H+]2CC[C@H](NC(C)=O)C2)c([N+](=O)[O-])c1 ZINC001170354407 766260645 /nfs/dbraw/zinc/26/06/45/766260645.db2.gz KUXFFEQXLMAXRJ-FZMZJTMJSA-N 1 0 321.377 1.745 20 5 DDBDRO CCOC(=O)C1C[NH2+]CCC1=Nc1ncc(F)c(C)c1[N+](=O)[O-] ZINC001170514053 767726819 /nfs/dbraw/zinc/72/68/19/767726819.db2.gz OMHGFEGNGLRFPY-UHFFFAOYSA-N 1 0 324.312 1.660 20 5 DDBDRO [NH3+][C@@H]1CN(c2nc(Cl)cc(Cl)c2[N+](=O)[O-])CC12COC2 ZINC001158762533 769406581 /nfs/dbraw/zinc/40/65/81/769406581.db2.gz PRCBNTMPBKUWOT-SSDOTTSWSA-N 1 0 319.148 1.461 20 5 DDBDRO O=C(NC[C@H]1CC[C@H](C[NH2+]CC2CC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001048607888 769578020 /nfs/dbraw/zinc/57/80/20/769578020.db2.gz QIVNPSCHVCEHFK-KBUPBQIOSA-N 1 0 309.410 1.574 20 5 DDBDRO CC[C@]([NH3+])(CO)Nc1c(Br)cc(F)cc1[N+](=O)[O-] ZINC001170865522 771778090 /nfs/dbraw/zinc/77/80/90/771778090.db2.gz NSYOAXPKYLYMGV-SNVBAGLBSA-N 1 0 322.134 1.966 20 5 DDBDRO CC[C@@]([NH3+])(CO)NC(F)(F)c1cc([N+](=O)[O-])cnc1Cl ZINC001159743941 771916349 /nfs/dbraw/zinc/91/63/49/771916349.db2.gz OEOHYPFZKOOHSD-VIFPVBQESA-N 1 0 310.688 1.339 20 5 DDBDRO CCOC(=O)CN(CC[NH3+])c1ccnc2c1cccc2[N+](=O)[O-] ZINC001170995223 772043714 /nfs/dbraw/zinc/04/37/14/772043714.db2.gz GULRFYURFUZEGX-UHFFFAOYSA-N 1 0 318.333 1.471 20 5 DDBDRO CCCN(CC[NH+](C)C)C(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001136962681 772225699 /nfs/dbraw/zinc/22/56/99/772225699.db2.gz VFQVVGGEJSHEIZ-UHFFFAOYSA-N 1 0 303.750 1.385 20 5 DDBDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2[nH]nc([N+](=O)[O-])c2Cl)C1 ZINC001143878046 772325990 /nfs/dbraw/zinc/32/59/90/772325990.db2.gz VRONNNBHWWSJAF-SSDOTTSWSA-N 1 0 301.734 1.138 20 5 DDBDRO CN(CC(=O)n1c2ccccc2cc2c(=O)c(N)ccc1-2)C(N)=[NH2+] ZINC001144140988 772422966 /nfs/dbraw/zinc/42/29/66/772422966.db2.gz RPSOTAKCPAZUIH-UHFFFAOYSA-N 1 0 323.356 1.154 20 5 DDBDRO COc1ccc(N2c3ccccc3OC[C@H]2C[NH3+])nc1[N+](=O)[O-] ZINC001171390566 774347550 /nfs/dbraw/zinc/34/75/50/774347550.db2.gz WRSXFZDTHICOGG-SNVBAGLBSA-N 1 0 316.317 1.856 20 5 DDBDRO Cc1cc(NCCNC(=O)C2CC[NH+](C)CC2)ncc1[N+](=O)[O-] ZINC001093701570 775022685 /nfs/dbraw/zinc/02/26/85/775022685.db2.gz ZKBNKPYXWFSTKD-UHFFFAOYSA-N 1 0 321.381 1.168 20 5 DDBDRO CCC[N@H+](C)CCC(=O)NCCNc1cc(C)c([N+](=O)[O-])cn1 ZINC001093771115 775068202 /nfs/dbraw/zinc/06/82/02/775068202.db2.gz YFCNPVVLGYAUQB-UHFFFAOYSA-N 1 0 323.397 1.558 20 5 DDBDRO Cc1cc([N+](=O)[O-])cnc1N(C)CCNC(=O)C[N@@H+](C)C(C)C ZINC001100149708 775734869 /nfs/dbraw/zinc/73/48/69/775734869.db2.gz MLHKSZBSQOKABT-UHFFFAOYSA-N 1 0 323.397 1.191 20 5 DDBDRO O=C(NCCCNc1ncccc1[N+](=O)[O-])C12CC[NH+](CC1)C2 ZINC001094506135 775952237 /nfs/dbraw/zinc/95/22/37/775952237.db2.gz UZUWRYNQPWSGRO-UHFFFAOYSA-N 1 0 319.365 1.004 20 5 DDBDRO CC(C)[N@H+](C)CC(=O)NCC1(Nc2ccc([N+](=O)[O-])cn2)CC1 ZINC001110158318 775974088 /nfs/dbraw/zinc/97/40/88/775974088.db2.gz GLDTYQRYBPMKMN-UHFFFAOYSA-N 1 0 321.381 1.391 20 5 DDBDRO CN(C)C(=O)CC[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172899165 776913768 /nfs/dbraw/zinc/91/37/68/776913768.db2.gz LKKKZGZGIUGKHI-AWEZNQCLSA-N 1 0 305.378 1.910 20 5 DDBDRO CN1C[C@@H](C[NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1=O ZINC001172901176 776915092 /nfs/dbraw/zinc/91/50/92/776915092.db2.gz KJHLTDOHLGJESX-DOMZBBRYSA-N 1 0 317.389 1.910 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@H+]1CCO[C@@H](CO)C1)CC2 ZINC001172902803 776915847 /nfs/dbraw/zinc/91/58/47/776915847.db2.gz CRIBLMPUUYPQDC-GDBMZVCRSA-N 1 0 306.362 1.535 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]CCCOCCO)CC2 ZINC001172901746 776916067 /nfs/dbraw/zinc/91/60/67/776916067.db2.gz KCALZAXKYCVIHS-HNNXBMFYSA-N 1 0 308.378 1.831 20 5 DDBDRO C[C@H]1CN([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC(=O)N1 ZINC001172907534 776918173 /nfs/dbraw/zinc/91/81/73/776918173.db2.gz GXQVGZYIALVFLJ-SMDDNHRTSA-N 1 0 303.362 1.663 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@@H]2COC[C@H]2O)c1F ZINC001173175050 777033969 /nfs/dbraw/zinc/03/39/69/777033969.db2.gz JQSQFKOVFATEHL-MKPLZMMCSA-N 1 0 314.313 1.023 20 5 DDBDRO CN(CCNc1cccc(F)c1[N+](=O)[O-])C(=O)CC[NH+](C)C ZINC001101927272 777689725 /nfs/dbraw/zinc/68/97/25/777689725.db2.gz WEMJJNAYFRLQKZ-UHFFFAOYSA-N 1 0 312.345 1.556 20 5 DDBDRO Cc1n[nH]cc1C[N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC001175183105 777712967 /nfs/dbraw/zinc/71/29/67/777712967.db2.gz GMDPDELLTYBGCN-ZDUSSCGKSA-N 1 0 320.349 1.498 20 5 DDBDRO C[C@@](CO)([NH2+]C[C@@H](O)CC1(O)CCC1)c1cccc([N+](=O)[O-])c1 ZINC001175324026 777750506 /nfs/dbraw/zinc/75/05/06/777750506.db2.gz ROUYJTCSAVZIPI-GJZGRUSLSA-N 1 0 324.377 1.058 20 5 DDBDRO CC[N@H+](CCC(=O)NC)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC001176734414 778223236 /nfs/dbraw/zinc/22/32/36/778223236.db2.gz ASMOFBVHFAMETB-UHFFFAOYSA-N 1 0 306.322 1.694 20 5 DDBDRO CC[S@@](=O)CC[NH2+]Cc1cc(OC)c(O)cc1[N+](=O)[O-] ZINC001177849842 778762619 /nfs/dbraw/zinc/76/26/19/778762619.db2.gz GZMZMIOUAYFIND-HXUWFJFHSA-N 1 0 302.352 1.167 20 5 DDBDRO O=C(NCCCCCC[NH2+]Cc1ccon1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001178458672 779059099 /nfs/dbraw/zinc/05/90/99/779059099.db2.gz RNDLHUQSZXCLCH-CHWSQXEVSA-N 1 0 310.354 1.106 20 5 DDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC001118136748 781040255 /nfs/dbraw/zinc/04/02/55/781040255.db2.gz VGYSWTQYNCRSMQ-OAHLLOKOSA-N 1 0 304.350 1.462 20 5 DDBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@@H]1[NH2+]C[C@@H]2C[C@@H]21 ZINC001119003821 781296124 /nfs/dbraw/zinc/29/61/24/781296124.db2.gz QPMMMQLTJOLBSM-LJUAHTATSA-N 1 0 309.753 1.815 20 5 DDBDRO O=[N+]([O-])c1cnccc1N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC001119288097 781394385 /nfs/dbraw/zinc/39/43/85/781394385.db2.gz VUUJPRFZJRHEBW-ZDUSSCGKSA-N 1 0 306.366 1.727 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)CN(C[C@@H]1CC3(C[NH2+]C3)CO1)CC2 ZINC001119618485 781538472 /nfs/dbraw/zinc/53/84/72/781538472.db2.gz LKDQKCRGTWPJRF-HNNXBMFYSA-N 1 0 303.362 1.331 20 5 DDBDRO C[NH+](C)[C@@H]1CC[C@H]2CN(c3ccc(N)c([N+](=O)[O-])n3)C[C@H]2C1 ZINC001119982020 781708075 /nfs/dbraw/zinc/70/80/75/781708075.db2.gz FQAINAKIIVACJJ-QJPTWQEYSA-N 1 0 305.382 1.739 20 5 DDBDRO CCC[N@H+](C)CC(=O)N(C)CCN(C)c1ccccc1[N+](=O)[O-] ZINC001105441838 844397980 /nfs/dbraw/zinc/39/79/80/844397980.db2.gz NGPCBFRMAVKDNE-UHFFFAOYSA-N 1 0 322.409 1.831 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ncc([N+](=O)[O-])cc1Cl ZINC001226254778 842919487 /nfs/dbraw/zinc/91/94/87/842919487.db2.gz DOKFJZNNVCHBBQ-SECBINFHSA-N 1 0 318.737 1.006 20 5 DDBDRO C[NH2+][C@@H](C)CCNS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC001326985048 861774381 /nfs/dbraw/zinc/77/43/81/861774381.db2.gz QWFCWXZFNFPZCC-NSHDSACASA-N 1 0 315.395 1.488 20 5 DDBDRO Nc1cc(NCC[C@@H]2C[NH2+]Cc3cccn3C2)ncc1[N+](=O)[O-] ZINC001155458784 862109671 /nfs/dbraw/zinc/10/96/71/862109671.db2.gz LNMZHYNVHYEYAX-LLVKDONJSA-N 1 0 316.365 1.595 20 5 DDBDRO O=[N+]([O-])c1cnc(N[C@@H]2C[NH2+][C@@H]3COC[C@H]23)c2ccccc21 ZINC001155502795 862166392 /nfs/dbraw/zinc/16/63/92/862166392.db2.gz NGXXNHIYSFYZCO-JHJVBQTASA-N 1 0 300.318 1.542 20 5 DDBDRO O=[N+]([O-])c1cc(F)cnc1NC[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001155592431 862267067 /nfs/dbraw/zinc/26/70/67/862267067.db2.gz OZFWDJHRLCMEIV-QMTHXVAHSA-N 1 0 310.329 1.700 20 5 DDBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001155590855 862266397 /nfs/dbraw/zinc/26/63/97/862266397.db2.gz FJHTVOGOVBQXPC-WFASDCNBSA-N 1 0 306.366 1.869 20 5 DDBDRO O=[N+]([O-])c1cc(F)cnc1NC[C@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001155592429 862268255 /nfs/dbraw/zinc/26/82/55/862268255.db2.gz OZFWDJHRLCMEIV-HZMBPMFUSA-N 1 0 310.329 1.700 20 5 DDBDRO O=[N+]([O-])c1cnc(Cl)cc1N[C@H]1CCO[C@]2(CC[NH2+]C2)C1 ZINC001155617644 862296166 /nfs/dbraw/zinc/29/61/66/862296166.db2.gz JOAADDFZJYOHJV-TVQRCGJNSA-N 1 0 312.757 1.966 20 5 DDBDRO COc1nc(C)c([N+](=O)[O-])c(N[C@@H]2CCO[C@]3(CC[NH2+]C3)C2)n1 ZINC001155619811 862301490 /nfs/dbraw/zinc/30/14/90/862301490.db2.gz ITXAZSXDTCCIDB-QMTHXVAHSA-N 1 0 323.353 1.025 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NCc1ccc2c[nH+]cn2c1 ZINC001275238202 852923410 /nfs/dbraw/zinc/92/34/10/852923410.db2.gz OZVHEUZVEZTHCL-UHFFFAOYSA-N 1 0 314.305 1.064 20 5 DDBDRO CC(C)(C)[NH+]1CCN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001327954071 862591164 /nfs/dbraw/zinc/59/11/64/862591164.db2.gz QOSQOGMNXNPCKB-CQSZACIVSA-N 1 0 321.377 1.571 20 5 DDBDRO C[NH+](C)Cc1cccc(CNc2cc([N+](=O)[O-])cc[n+]2[O-])c1 ZINC001156045026 862670102 /nfs/dbraw/zinc/67/01/02/862670102.db2.gz VRAXMQIBIFQYCC-UHFFFAOYSA-N 1 0 302.334 1.902 20 5 DDBDRO Nc1cc(N2CC[NH2+]C[C@H]2c2cccs2)ncc1[N+](=O)[O-] ZINC001156098044 862718669 /nfs/dbraw/zinc/71/86/69/862718669.db2.gz NJZDBEJXTHIBHO-NSHDSACASA-N 1 0 305.363 1.784 20 5 DDBDRO Cc1cncc([N+](=O)[O-])c1NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001328508704 863016588 /nfs/dbraw/zinc/01/65/88/863016588.db2.gz WFBCPMCRDMVNFQ-CQSZACIVSA-N 1 0 320.393 1.775 20 5 DDBDRO C[NH2+]CCCCC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC001121987934 858653230 /nfs/dbraw/zinc/65/32/30/858653230.db2.gz FLNCOIDOLLYWOV-UHFFFAOYSA-N 1 0 320.393 1.633 20 5 DDBDRO O=C(Cc1ccccc1[N+](=O)[O-])N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001122325685 858753211 /nfs/dbraw/zinc/75/32/11/858753211.db2.gz ZTFVTYLEEUYRGF-MRXNPFEDSA-N 1 0 303.362 1.882 20 5 DDBDRO CC(C)[C@H]1CN(c2nnc(C[N+](=O)[O-])n2CC2CC2)CC[N@@H+]1C ZINC001123413224 859224594 /nfs/dbraw/zinc/22/45/94/859224594.db2.gz NTMKQRSWKGHYHV-CYBMUJFWSA-N 1 0 322.413 1.241 20 5 DDBDRO C[C@@H](c1nnc(N2CC[N@H+](C)C(C)(C)C2)n1CC1CC1)[N+](=O)[O-] ZINC001123415782 859225958 /nfs/dbraw/zinc/22/59/58/859225958.db2.gz UTWPJLCXBMSDOV-NSHDSACASA-N 1 0 322.413 1.556 20 5 DDBDRO Cc1ccc(NC(=O)[C@@H]2C[N@H+]3CCN2C[C@@H]3C)cc1[N+](=O)[O-] ZINC001123474144 859251172 /nfs/dbraw/zinc/25/11/72/859251172.db2.gz YRWUPTCNQVKGHP-FZMZJTMJSA-N 1 0 304.350 1.230 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@@H]1C[N@H+]2CCN1C[C@H]2C ZINC001123879897 859452739 /nfs/dbraw/zinc/45/27/39/859452739.db2.gz JVSVCNQCEQGZSZ-RISCZKNCSA-N 1 0 318.377 1.538 20 5 DDBDRO O=C(COCC1CC1)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001124005559 859520729 /nfs/dbraw/zinc/52/07/29/859520729.db2.gz XSWCOATUQBMNGZ-UHFFFAOYSA-N 1 0 307.350 1.227 20 5 DDBDRO C[NH+]1CCN(C(C)(C)CNc2ncc([N+](=O)[O-])cc2F)CC1 ZINC001326035575 861058702 /nfs/dbraw/zinc/05/87/02/861058702.db2.gz KIIRWFKDFZEUBW-UHFFFAOYSA-N 1 0 311.361 1.567 20 5 DDBDRO C[C@@H](C[N+](C)(C)C)OC[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001224960977 881611544 /nfs/dbraw/zinc/61/15/44/881611544.db2.gz JHZZWUFKHMWSLX-WMZOPIPTSA-N 1 0 307.458 1.999 20 5 DDBDRO Cc1cc(C(=O)NCCC[NH2+]Cc2cccc([N+](=O)[O-])c2)no1 ZINC001154433922 861100495 /nfs/dbraw/zinc/10/04/95/861100495.db2.gz SLSAYXDWIMDTOB-UHFFFAOYSA-N 1 0 318.333 1.801 20 5 DDBDRO CC[N@@H+]1CC[C@H](OCC(=O)OCc2ccc([N+](=O)[O-])cc2)C1 ZINC001224986731 881624597 /nfs/dbraw/zinc/62/45/97/881624597.db2.gz JTOYNSIIANSEKB-AWEZNQCLSA-N 1 0 308.334 1.749 20 5 DDBDRO C[N@@H+]1CC[C@H](NC(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)C1 ZINC001156580092 863162963 /nfs/dbraw/zinc/16/29/63/863162963.db2.gz DEXJNVGVDFIKSJ-ZETCQYMHSA-N 1 0 306.700 1.986 20 5 DDBDRO [NH3+]CCc1ccn(C(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)n1 ZINC001156898108 863427906 /nfs/dbraw/zinc/42/79/06/863427906.db2.gz DVQMYLNVZYXLKB-UHFFFAOYSA-N 1 0 317.683 1.939 20 5 DDBDRO O=C(CO[C@H]1CCC[NH2+]C1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001329513690 863705405 /nfs/dbraw/zinc/70/54/05/863705405.db2.gz JDYFXGKVQZLGEN-AWEZNQCLSA-N 1 0 305.334 1.206 20 5 DDBDRO O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2C[C@@H]3C[NH2+][C@@H]3C2)c1 ZINC001157619675 863980601 /nfs/dbraw/zinc/98/06/01/863980601.db2.gz FVZMVQRBXJKPDT-IMTBSYHQSA-N 1 0 304.684 1.596 20 5 DDBDRO C[NH2+]CCN(c1nc(C(=O)OC)ccc1[N+](=O)[O-])C(C)(C)C ZINC001157836810 864183189 /nfs/dbraw/zinc/18/31/89/864183189.db2.gz NQKKLXKHSMEXKU-UHFFFAOYSA-N 1 0 310.354 1.601 20 5 DDBDRO Cc1ncn(-c2ncc(C)cc2[N+](=O)[O-])c1CSCC[NH3+] ZINC001157961604 864308385 /nfs/dbraw/zinc/30/83/85/864308385.db2.gz IZFMPXPXOFOTIH-UHFFFAOYSA-N 1 0 307.379 1.984 20 5 DDBDRO Cc1cc([N+](=O)[O-])cnc1-n1nnc(-c2cccc(C[NH3+])c2)n1 ZINC001158042539 864385014 /nfs/dbraw/zinc/38/50/14/864385014.db2.gz GXIKFAUFTOWEKY-UHFFFAOYSA-N 1 0 311.305 1.400 20 5 DDBDRO Cc1cc([N+](=O)[O-])cnc1N1CCO[C@H](C[NH+]2CCCC2)C1 ZINC001158305854 864562077 /nfs/dbraw/zinc/56/20/77/864562077.db2.gz SLWYAXZPTCQPDS-CQSZACIVSA-N 1 0 306.366 1.599 20 5 DDBDRO COC(=O)c1cnc(N2CCC[C@@](C)(C[NH3+])C2)c([N+](=O)[O-])c1 ZINC001158676196 864804856 /nfs/dbraw/zinc/80/48/56/864804856.db2.gz YHSBHMXHAIORCG-AWEZNQCLSA-N 1 0 308.338 1.342 20 5 DDBDRO CO[C@@H]1CN(c2cc3ccc(Cl)nc3cc2[N+](=O)[O-])C[C@@H]1[NH3+] ZINC001158712575 864841665 /nfs/dbraw/zinc/84/16/65/864841665.db2.gz MBYJHDPPPYVKAH-TVQRCGJNSA-N 1 0 322.752 1.959 20 5 DDBDRO O=[N+]([O-])c1cc2c(Cl)ncnc2cc1NC[C@H]1COCC[NH2+]1 ZINC001159042641 865066494 /nfs/dbraw/zinc/06/64/94/865066494.db2.gz IIHDBRPOQFDLMW-QMMMGPOBSA-N 1 0 323.740 1.592 20 5 DDBDRO O=[N+]([O-])c1cnc(N2CCC([NH2+]CCO)CC2)c2ccccc21 ZINC001331583947 865166428 /nfs/dbraw/zinc/16/64/28/865166428.db2.gz DWSFEXFYBGBVLX-UHFFFAOYSA-N 1 0 316.361 1.694 20 5 DDBDRO Cc1nc(NC[C@H]2O[C@H](C(C)C)O[C@@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC001159237853 865178460 /nfs/dbraw/zinc/17/84/60/865178460.db2.gz FGKLZTWYRNLDII-YRGRVCCFSA-N 1 0 310.354 1.435 20 5 DDBDRO Cc1ccc2cccnc2c1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001225476302 881856603 /nfs/dbraw/zinc/85/66/03/881856603.db2.gz RPWIVPSSYOMHMA-CQSZACIVSA-N 1 0 303.382 1.906 20 5 DDBDRO CCOC(=O)C1=C(Nc2ncc([N+](=O)[O-])c(C)c2C)CC[NH2+]C1 ZINC001159452177 865307460 /nfs/dbraw/zinc/30/74/60/865307460.db2.gz DRZWSLKECOLNBR-UHFFFAOYSA-N 1 0 320.349 1.829 20 5 DDBDRO Cc1nc(Cl)nc(N[C@@H](C)[C@H]2C[NH2+]CCO2)c1[N+](=O)[O-] ZINC001159489149 865342655 /nfs/dbraw/zinc/34/26/55/865342655.db2.gz KKYZTLJJHUGECJ-POYBYMJQSA-N 1 0 301.734 1.135 20 5 DDBDRO CC1(C)C[NH2+]C[C@@H]1C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001331959376 865461632 /nfs/dbraw/zinc/46/16/32/865461632.db2.gz ZDOXZHVDIFRIBA-CQSZACIVSA-N 1 0 303.362 1.725 20 5 DDBDRO C[NH+]1CCC2(CC[C@H](COc3[nH]ccc(=O)c3[N+](=O)[O-])O2)CC1 ZINC001225659993 881962766 /nfs/dbraw/zinc/96/27/66/881962766.db2.gz BBWTZHLCPYXBHN-LLVKDONJSA-N 1 0 323.349 1.718 20 5 DDBDRO CCN(C(=O)COc1ccc([N+](=O)[O-])c(F)c1)[C@@H]1CC[NH2+]C1 ZINC001333272034 866578948 /nfs/dbraw/zinc/57/89/48/866578948.db2.gz GHPQKBYVDSXDGU-SNVBAGLBSA-N 1 0 311.313 1.323 20 5 DDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)NCCN1CCCOCC1 ZINC001320564457 866835562 /nfs/dbraw/zinc/83/55/62/866835562.db2.gz ZPTZOKVVANJNEB-UHFFFAOYSA-N 1 0 322.365 1.089 20 5 DDBDRO C[NH+]1CCN(CCCNc2c(Cl)nccc2[N+](=O)[O-])CC1 ZINC001161703668 866909720 /nfs/dbraw/zinc/90/97/20/866909720.db2.gz KMTTYSHEYSJXBP-UHFFFAOYSA-N 1 0 313.789 1.693 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cccc([N+](=O)[O-])c1F ZINC001225794063 882030079 /nfs/dbraw/zinc/03/00/79/882030079.db2.gz HISDWBZKBIZOLV-SECBINFHSA-N 1 0 301.294 1.097 20 5 DDBDRO COc1cc([N+](=O)[O-])cnc1NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001333749157 866981389 /nfs/dbraw/zinc/98/13/89/866981389.db2.gz SWFCXCKSOKTTQU-GFCCVEGCSA-N 1 0 322.365 1.664 20 5 DDBDRO C[C@@H]1C[NH2+]CCC[C@H]1CNc1ccc([N+](=O)[O-])c2c1CNC2=O ZINC001162469285 867556529 /nfs/dbraw/zinc/55/65/29/867556529.db2.gz AKPJXCLBINFKCB-MNOVXSKESA-N 1 0 318.377 1.886 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])ncc1NC[C@@H]1CCC[NH2+]C[C@H]1C ZINC001162470022 867556649 /nfs/dbraw/zinc/55/66/49/867556649.db2.gz HEDUNIDUFJQIOM-MNOVXSKESA-N 1 0 322.365 1.824 20 5 DDBDRO Nc1nc(-n2cncc2-c2cccc(C[NH3+])c2)ccc1[N+](=O)[O-] ZINC001162565018 867644350 /nfs/dbraw/zinc/64/43/50/867644350.db2.gz OOTAFZQWOJQTGD-UHFFFAOYSA-N 1 0 310.317 1.883 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(NCc2noc3c2C[NH2+]CC3)n1 ZINC001163124704 868128569 /nfs/dbraw/zinc/12/85/69/868128569.db2.gz SWPMIZBMMPERLY-UHFFFAOYSA-N 1 0 305.294 1.244 20 5 DDBDRO CC(C)[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccn1 ZINC001335337308 868235170 /nfs/dbraw/zinc/23/51/70/868235170.db2.gz MORAJLJQFHHBPO-DZGCQCFKSA-N 1 0 319.365 1.534 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@H]2C[C@@H]2c2ccccc2)c1 ZINC001335397186 868270690 /nfs/dbraw/zinc/27/06/90/868270690.db2.gz MNJPDDRVAZSTQK-VNQPRFMTSA-N 1 0 316.361 1.546 20 5 DDBDRO COc1c(O)ccc(CN2CC[C@@]3(CC[N@H+](C)C3)C2)c1[N+](=O)[O-] ZINC001335542095 868373245 /nfs/dbraw/zinc/37/32/45/868373245.db2.gz CVVUBXSWVMZELW-MRXNPFEDSA-N 1 0 321.377 1.837 20 5 DDBDRO COc1c(O)ccc(CN2CC[C@]3(CC[N@H+](C)C3)C2)c1[N+](=O)[O-] ZINC001335542094 868373674 /nfs/dbraw/zinc/37/36/74/868373674.db2.gz CVVUBXSWVMZELW-INIZCTEOSA-N 1 0 321.377 1.837 20 5 DDBDRO CN1CCCC[C@H]1C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC001335917063 868616565 /nfs/dbraw/zinc/61/65/65/868616565.db2.gz KIVLEYATHZOFPF-KBPBESRZSA-N 1 0 323.393 1.408 20 5 DDBDRO Cc1nonc1CNc1ccc([N+](=O)[O-])c(OCC[NH+](C)C)c1 ZINC001164060803 868919473 /nfs/dbraw/zinc/91/94/73/868919473.db2.gz CUIRKUDQWSGSOK-UHFFFAOYSA-N 1 0 321.337 1.839 20 5 DDBDRO CCOC(=O)c1ccnc(N2C[C@@H](C)CC[C@H]2C[NH3+])c1[N+](=O)[O-] ZINC001164076570 868927673 /nfs/dbraw/zinc/92/76/73/868927673.db2.gz FIEMTQDAXLJMNG-QWRGUYRKSA-N 1 0 322.365 1.730 20 5 DDBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2C[C@@H](C)CC[C@@H]2C[NH3+])n1 ZINC001164079996 868929013 /nfs/dbraw/zinc/92/90/13/868929013.db2.gz XRBQATGWJITXOY-GZMMTYOYSA-N 1 0 322.369 1.215 20 5 DDBDRO CN(CC[NH+]1CCCCC1)C(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001164155996 868976409 /nfs/dbraw/zinc/97/64/09/868976409.db2.gz YZNKDVONXKHYEC-UHFFFAOYSA-N 1 0 307.354 1.130 20 5 DDBDRO O=[N+]([O-])c1ccccc1NCC[NH2+]C[C@H](O)CC(F)(F)F ZINC001336728001 869112776 /nfs/dbraw/zinc/11/27/76/869112776.db2.gz RLGXSAAFAKUTPF-SECBINFHSA-N 1 0 307.272 1.910 20 5 DDBDRO C[C@H](NC(=O)N[C@@H]1C[NH2+]CC1(C)C)c1ccccc1[N+](=O)[O-] ZINC001336946903 869230672 /nfs/dbraw/zinc/23/06/72/869230672.db2.gz LTMPUPGURUFRNU-GXFFZTMASA-N 1 0 306.366 1.953 20 5 DDBDRO Cc1nc2c(n1-c1cnc3cc([N+](=O)[O-])ccc3n1)CC[NH2+]CC2 ZINC001165352655 869539287 /nfs/dbraw/zinc/53/92/87/869539287.db2.gz ZLWPSQWSHPMESM-UHFFFAOYSA-N 1 0 324.344 1.720 20 5 DDBDRO COc1cnc(N2C[C@H](C3([NH3+])CC3)[C@H](CF)C2)c([N+](=O)[O-])c1 ZINC001165432097 869595150 /nfs/dbraw/zinc/59/51/50/869595150.db2.gz SVMFNBRBYGIITH-KOLCDFICSA-N 1 0 310.329 1.512 20 5 DDBDRO COC(=O)[C@@H]1C[NH2+]CCN1c1ccc2ccc3cccnc3c2n1 ZINC001165437517 869600887 /nfs/dbraw/zinc/60/08/87/869600887.db2.gz SRLHRTYFUXPSNH-AWEZNQCLSA-N 1 0 322.368 1.734 20 5 DDBDRO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)COc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC001337836246 869651252 /nfs/dbraw/zinc/65/12/52/869651252.db2.gz OTYUDNUGSJGCBD-GLQYFDAESA-N 1 0 319.361 1.430 20 5 DDBDRO COCc1nn(-c2cc([N+](=O)[O-])cc(Cl)n2)c2c1C[NH2+]C2 ZINC001165632606 869661867 /nfs/dbraw/zinc/66/18/67/869661867.db2.gz VHJCRWVQQRMHFG-UHFFFAOYSA-N 1 0 309.713 1.579 20 5 DDBDRO N=c1nc([C@@H]2CCC[NH2+]2)ccn1-c1ncc(Cl)cc1[N+](=O)[O-] ZINC001166702050 870171712 /nfs/dbraw/zinc/17/17/12/870171712.db2.gz YOUYGZCHMWZZIV-VIFPVBQESA-N 1 0 320.740 1.733 20 5 DDBDRO COC(=O)[C@@H]1C[C@@H]([NH3+])CN1c1ccc2c(cccc2[N+](=O)[O-])n1 ZINC001166963014 870427285 /nfs/dbraw/zinc/42/72/85/870427285.db2.gz DITKIVBZMCFKPK-RNCFNFMXSA-N 1 0 316.317 1.222 20 5 DDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+](C)CCCOC ZINC001339446889 870501878 /nfs/dbraw/zinc/50/18/78/870501878.db2.gz FQUMHWIMSSKPLR-UHFFFAOYSA-N 1 0 324.381 1.335 20 5 DDBDRO C[C@@H](O)[C@H](O)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC001203276197 870524354 /nfs/dbraw/zinc/52/43/54/870524354.db2.gz JRDAFSQBWLBKGN-QMTHXVAHSA-N 1 0 306.318 1.686 20 5 DDBDRO CCn1c(C[N+](=O)[O-])nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC001340112924 870896998 /nfs/dbraw/zinc/89/69/98/870896998.db2.gz IJJKCDFFKUBWGX-GFCCVEGCSA-N 1 0 322.413 1.385 20 5 DDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])[C@H]1[NH2+]CC12CCCC2 ZINC001340526895 871175329 /nfs/dbraw/zinc/17/53/29/871175329.db2.gz DMDUASNXRKVGOL-CQSZACIVSA-N 1 0 303.362 1.786 20 5 DDBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@@H]2COC[C@@H]2O)o1 ZINC001308483856 871502276 /nfs/dbraw/zinc/50/22/76/871502276.db2.gz FODNIEZBHRZHSJ-OCCSQVGLSA-N 1 0 304.302 1.704 20 5 DDBDRO COc1ccc(C(=O)N2CCC[C@@H]3CC[C@]32C[NH3+])cc1[N+](=O)[O-] ZINC001342086485 871997216 /nfs/dbraw/zinc/99/72/16/871997216.db2.gz HPLHIRRFLLTJHP-WBMJQRKESA-N 1 0 319.361 1.947 20 5 DDBDRO C[NH+](C)C1CN(C(=O)CCc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC001342423909 872201083 /nfs/dbraw/zinc/20/10/83/872201083.db2.gz OBQFNTHDYIOPLV-UHFFFAOYSA-N 1 0 311.769 1.953 20 5 DDBDRO COCCCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001318953867 872366540 /nfs/dbraw/zinc/36/65/40/872366540.db2.gz WCRJCDNDLZOQKA-AAVRWANBSA-N 1 0 313.398 1.095 20 5 DDBDRO COc1cc([N+](=O)[O-])cnc1NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC001343018562 872469574 /nfs/dbraw/zinc/46/95/74/872469574.db2.gz ABXKYYLTUQNBLD-GFCCVEGCSA-N 1 0 324.381 1.911 20 5 DDBDRO O=C(CCc1cc(F)ccc1[N+](=O)[O-])N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC001343526991 872660577 /nfs/dbraw/zinc/66/05/77/872660577.db2.gz QTDQHDKKXPAAAF-RISCZKNCSA-N 1 0 307.325 1.487 20 5 DDBDRO C[C@@H]1C[NH2+]C[C@H]1NC(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC001344624042 873059736 /nfs/dbraw/zinc/05/97/36/873059736.db2.gz MRWRTXFADWTULP-NOZJJQNGSA-N 1 0 311.769 1.905 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1C[C@H]2CC[C@@H]([NH+](C)C)C[C@@H]2C1 ZINC001345236538 873317095 /nfs/dbraw/zinc/31/70/95/873317095.db2.gz UKLDJLRDLIWJHT-JHJVBQTASA-N 1 0 320.393 1.736 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@H]2C1 ZINC001345236541 873318050 /nfs/dbraw/zinc/31/80/50/873318050.db2.gz UKLDJLRDLIWJHT-RWMBFGLXSA-N 1 0 320.393 1.736 20 5 DDBDRO CCN(C(=O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC001346547880 873798297 /nfs/dbraw/zinc/79/82/97/873798297.db2.gz FDXAEVXZZMMKFY-GFCCVEGCSA-N 1 0 307.350 1.574 20 5 DDBDRO CC[N@@H+]1CC[C@H](Oc2[nH]c(=O)nc3ccc([N+](=O)[O-])cc32)C1 ZINC001227094963 882828524 /nfs/dbraw/zinc/82/85/24/882828524.db2.gz GQSNKWOYKRIGEO-JTQLQIEISA-N 1 0 304.306 1.717 20 5 DDBDRO CO[C@@H](C[NH3+])Cc1nc(-c2cc(C)c([N+](=O)[O-])cc2C)no1 ZINC001349005526 874920731 /nfs/dbraw/zinc/92/07/31/874920731.db2.gz OZZLDVQAMMRDBH-SNVBAGLBSA-N 1 0 306.322 1.778 20 5 DDBDRO COc1ncc(Nc2cnn(CC[NH+](C)C)c2)cc1[N+](=O)[O-] ZINC001210135439 875238862 /nfs/dbraw/zinc/23/88/62/875238862.db2.gz SUGHZDLDEGDEDU-UHFFFAOYSA-N 1 0 306.326 1.500 20 5 DDBDRO Cn1cc([N+](=O)[O-])c(C(=O)N2C[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]3C2)n1 ZINC001349839428 875403937 /nfs/dbraw/zinc/40/39/37/875403937.db2.gz DMJMXOXAAIXJFT-GRYCIOLGSA-N 1 0 321.381 1.131 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H]2CCc3cncn3C2)cc1 ZINC001353238319 877207363 /nfs/dbraw/zinc/20/73/63/877207363.db2.gz FRNSFSCNRYWZTF-IUODEOHRSA-N 1 0 302.334 1.429 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@H]2CCc3cncn3C2)cc1 ZINC001353238322 877208286 /nfs/dbraw/zinc/20/82/86/877208286.db2.gz FRNSFSCNRYWZTF-WFASDCNBSA-N 1 0 302.334 1.429 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCCc2ccsc2)c1 ZINC001353288435 877231059 /nfs/dbraw/zinc/23/10/59/877231059.db2.gz ZBEZDAWGVHHHNO-ZDUSSCGKSA-N 1 0 310.379 1.436 20 5 DDBDRO CC(C)(C[NH3+])CC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC001353496705 877375778 /nfs/dbraw/zinc/37/57/78/877375778.db2.gz SWPHKTVEUQMTGS-UHFFFAOYSA-N 1 0 320.393 1.618 20 5 DDBDRO CCOC(=O)c1c[nH]c2c1ncnc2O[C@H](C)C[N+](C)(C)C ZINC001228913801 883727471 /nfs/dbraw/zinc/72/74/71/883727471.db2.gz NQJLEWSLOWRCHK-SNVBAGLBSA-O 1 0 307.374 1.608 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1c(F)c(F)nc(F)c1F ZINC001229861458 884198973 /nfs/dbraw/zinc/19/89/73/884198973.db2.gz QVAWEVZKYBZTIV-ZCFIWIBFSA-N 1 0 311.255 1.001 20 5 DDBDRO COC(=O)c1cc(O[C@@H](C)C[N+](C)(C)C)c(F)cc1[N+](=O)[O-] ZINC001229937990 884239442 /nfs/dbraw/zinc/23/94/42/884239442.db2.gz FYPHDZOTMPFIOZ-VIFPVBQESA-N 1 0 315.321 1.994 20 5 DDBDRO COC(=O)c1ncc2cccnc2c1O[C@@H](C)C[N+](C)(C)C ZINC001234620341 888144536 /nfs/dbraw/zinc/14/45/36/888144536.db2.gz DWQVOXWHTKWQCW-NSHDSACASA-N 1 0 304.370 1.890 20 5 DDBDRO C[C@H](C[N+](C)(C)C)Oc1ncnc2c(Br)cnn21 ZINC001234862136 888229694 /nfs/dbraw/zinc/22/96/94/888229694.db2.gz MQCXGURDZNMEFS-MRVPVSSYSA-N 1 0 315.195 1.360 20 5 DDBDRO [NH3+][C@@H]1C[C@@H](F)CN(C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001246578594 892711372 /nfs/dbraw/zinc/71/13/72/892711372.db2.gz WCEMRVOFQFFUMG-CHWSQXEVSA-N 1 0 322.384 1.935 20 5 DDBDRO CC(C)(C(=O)N1CCC[N@@H+]2CCC[C@H]2C1)n1cc([N+](=O)[O-])cn1 ZINC001251498074 894714856 /nfs/dbraw/zinc/71/48/56/894714856.db2.gz GTJMBIYMTZQVNL-LBPRGKRZSA-N 1 0 321.381 1.223 20 5 DDBDRO C[C@@]1(CO)CCC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC001254545139 896496421 /nfs/dbraw/zinc/49/64/21/896496421.db2.gz JEBJSZLTNZEBCX-CZUORRHYSA-N 1 0 324.377 1.429 20 5 DDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@]1(C)CCC(=O)NC1=O ZINC001254542487 896496818 /nfs/dbraw/zinc/49/68/18/896496818.db2.gz ODUXEEKOUNJZJD-BONVTDFDSA-N 1 0 305.334 1.311 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@]1(CN)CN2CCC1CC2 ZINC001254548203 896498098 /nfs/dbraw/zinc/49/80/98/896498098.db2.gz LFQGIEMRFGUBKI-DYVFJYSZSA-N 1 0 318.421 1.539 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](O)[C@@](C)(CO)C1 ZINC001254553822 896499475 /nfs/dbraw/zinc/49/94/75/896499475.db2.gz ZQALIKTUIKTVQP-UHOFOFEASA-N 1 0 308.378 1.591 20 5 DDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CCN(CC[NH+](C)C)CC1 ZINC001254550969 896499673 /nfs/dbraw/zinc/49/96/73/896499673.db2.gz UMJFZDSOSTYONC-HNNXBMFYSA-N 1 0 320.437 1.705 20 5 DDBDRO C[C@]1(CO)C[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC[C@@H]1O ZINC001254593354 896521720 /nfs/dbraw/zinc/52/17/20/896521720.db2.gz LILUJHRMWPUFED-OWCLPIDISA-N 1 0 306.362 1.127 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1CC[C@H](N3CCOCC3)C1)C2 ZINC001254601426 896524548 /nfs/dbraw/zinc/52/45/48/896524548.db2.gz ZSBKLWOGNIYUIX-IRXDYDNUSA-N 1 0 317.389 1.469 20 5 DDBDRO O=C(NC[C@@H]1CCC[NH2+]C1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001261375973 899521407 /nfs/dbraw/zinc/52/14/07/899521407.db2.gz DXTHWVATZJSANC-LLVKDONJSA-N 1 0 304.350 1.620 20 5 DDBDRO C[C@H](C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)N1CCCCC1=O ZINC001262572754 900254767 /nfs/dbraw/zinc/25/47/67/900254767.db2.gz CPELQQODHMSLKU-DOMZBBRYSA-N 1 0 321.377 1.619 20 5 DDBDRO CSCC[C@H]([NH3+])CC(=O)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC001263174471 900523772 /nfs/dbraw/zinc/52/37/72/900523772.db2.gz APVDDJSUJIRKGN-LBPRGKRZSA-N 1 0 311.407 1.990 20 5 DDBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2C[C@@H](O)[C@H](O)C2)o1 ZINC000278459046 214167526 /nfs/dbraw/zinc/16/75/26/214167526.db2.gz ZMZQFPLYUMHOJL-ZIAGYGMSSA-N 1 0 304.302 1.392 20 5 DDBDRO C[C@H](O)[C@H]1CC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000305857350 231076103 /nfs/dbraw/zinc/07/61/03/231076103.db2.gz KZGIXOGBDIVWGV-HUBLWGQQSA-N 1 0 319.361 1.403 20 5 DDBDRO CC[C@H]([NH3+])CNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000295160254 529452919 /nfs/dbraw/zinc/45/29/19/529452919.db2.gz DSFBQYSRDVPMGB-ZETCQYMHSA-N 1 0 316.155 1.824 20 5 DDBDRO CC(C)[C@@H](C)[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000090015498 185278204 /nfs/dbraw/zinc/27/82/04/185278204.db2.gz AGOAWGZKKZGNBY-LLVKDONJSA-N 1 0 315.395 1.507 20 5 DDBDRO CC[N@@H+]1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000286619389 219087056 /nfs/dbraw/zinc/08/70/56/219087056.db2.gz SAXOMYHUZFNKBH-GFCCVEGCSA-N 1 0 306.366 1.559 20 5 DDBDRO CCc1ccc(C(=O)NC[C@H]2C[N@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000266883386 282303499 /nfs/dbraw/zinc/30/34/99/282303499.db2.gz COYXFXMQPAGRHS-AWEZNQCLSA-N 1 0 320.393 1.133 20 5 DDBDRO CC(C)(C)[C@H](CO)[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000278717434 282325788 /nfs/dbraw/zinc/32/57/88/282325788.db2.gz KMEJRHHMYYBPTI-ZDUSSCGKSA-N 1 0 310.350 1.958 20 5 DDBDRO C[NH2+]C[C@@H]1CCCN1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000417224311 529989398 /nfs/dbraw/zinc/98/93/98/529989398.db2.gz HWNWXTIRWZSZAW-AWEZNQCLSA-N 1 0 306.366 1.531 20 5 DDBDRO C[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC000413029997 530053523 /nfs/dbraw/zinc/05/35/23/530053523.db2.gz UHFGSZOGMTVGKD-LSDHHAIUSA-N 1 0 303.362 1.862 20 5 DDBDRO CC1(C)OCC[C@H]1[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000295283877 282364772 /nfs/dbraw/zinc/36/47/72/282364772.db2.gz SVQSONGNAHWAEK-TZMCWYRMSA-N 1 0 310.350 1.492 20 5 DDBDRO CC1(C)OCC[C@H]1[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000295283851 282364785 /nfs/dbraw/zinc/36/47/85/282364785.db2.gz SVQSONGNAHWAEK-GXTWGEPZSA-N 1 0 310.350 1.492 20 5 DDBDRO COC[C@H](C[NH2+]Cc1cc(OC)c(O)cc1[N+](=O)[O-])OC ZINC000358485310 299169083 /nfs/dbraw/zinc/16/90/83/299169083.db2.gz UOMZYPGUFSDJLD-JTQLQIEISA-N 1 0 300.311 1.060 20 5 DDBDRO C[C@H]([NH2+]CCCNS(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000173304697 186174154 /nfs/dbraw/zinc/17/41/54/186174154.db2.gz OCKZTISKBCXNMI-JTQLQIEISA-N 1 0 301.368 1.185 20 5 DDBDRO Nc1c(C(=O)N2CC[C@]3(CC[NH2+]C3)C2)cc(F)cc1[N+](=O)[O-] ZINC000274156370 186440412 /nfs/dbraw/zinc/44/04/12/186440412.db2.gz JTEHJDZJPWPGKX-AWEZNQCLSA-N 1 0 308.313 1.142 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@H]2CCCC(F)(F)C2)c1 ZINC000564868879 304021226 /nfs/dbraw/zinc/02/12/26/304021226.db2.gz JZLGUVKXDMDDIK-CMPLNLGQSA-N 1 0 318.324 1.567 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C)[NH+]1CCCC1 ZINC000046408671 352451680 /nfs/dbraw/zinc/45/16/80/352451680.db2.gz DTFJYIDVPMWLSF-NSHDSACASA-N 1 0 307.350 1.818 20 5 DDBDRO C[C@@H]1C[N@@H+](CCCNC(=O)c2ccc([N+](=O)[O-])o2)C[C@H](C)O1 ZINC000047669903 352507433 /nfs/dbraw/zinc/50/74/33/352507433.db2.gz CICVTNUZSVFCBY-PHIMTYICSA-N 1 0 311.338 1.417 20 5 DDBDRO CC(=O)NCC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000052849408 352629080 /nfs/dbraw/zinc/62/90/80/352629080.db2.gz VCBQSABWRGKLGF-UHFFFAOYSA-N 1 0 305.378 1.985 20 5 DDBDRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000056347420 352768496 /nfs/dbraw/zinc/76/84/96/352768496.db2.gz JIWDJCSRBUJCJO-CYBMUJFWSA-N 1 0 316.361 1.826 20 5 DDBDRO CC[N@@H+]1CCC[C@H](CNC(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000058274262 352841534 /nfs/dbraw/zinc/84/15/34/352841534.db2.gz GPKUTIGHPCURFK-CYBMUJFWSA-N 1 0 320.393 1.855 20 5 DDBDRO C[NH+](C)CCn1cc(NC(=O)c2ccccc2[N+](=O)[O-])cn1 ZINC000061635911 352892361 /nfs/dbraw/zinc/89/23/61/352892361.db2.gz DRZZZQMWWOGCSN-UHFFFAOYSA-N 1 0 303.322 1.605 20 5 DDBDRO C[C@H](CNC(=O)CCn1cc([N+](=O)[O-])cn1)[N@@H+]1CCCC[C@@H]1C ZINC000065780294 352962923 /nfs/dbraw/zinc/96/29/23/352962923.db2.gz TUWAYWZQIUKYRJ-QWHCGFSZSA-N 1 0 323.397 1.561 20 5 DDBDRO C[N@H+](CCNC(=O)CCNc1ccccc1[N+](=O)[O-])C1CC1 ZINC000066924332 353026137 /nfs/dbraw/zinc/02/61/37/353026137.db2.gz AIZYEHQZYJTQLD-UHFFFAOYSA-N 1 0 306.366 1.607 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+](Cc2ccccc2)C2CC2)c1 ZINC000174715848 198373761 /nfs/dbraw/zinc/37/37/61/198373761.db2.gz BTRPZOLFKTVCCP-MRXNPFEDSA-N 1 0 316.361 1.817 20 5 DDBDRO COC1CC[NH+](CCNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000079999408 353586559 /nfs/dbraw/zinc/58/65/59/353586559.db2.gz VIJVKAWPYAADFQ-UHFFFAOYSA-N 1 0 307.350 1.435 20 5 DDBDRO CCc1nn(C)c(NCC2([NH+](C)C)CCOCC2)c1[N+](=O)[O-] ZINC000094159109 353911942 /nfs/dbraw/zinc/91/19/42/353911942.db2.gz RFXJZEDUYRNFRU-UHFFFAOYSA-N 1 0 311.386 1.413 20 5 DDBDRO Nc1c(C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)cc(F)cc1[N+](=O)[O-] ZINC000141453852 354140150 /nfs/dbraw/zinc/14/01/50/354140150.db2.gz HBJNVCXFCWWYPV-LLVKDONJSA-N 1 0 322.340 1.626 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@H]2CCCCS2)c1 ZINC000156463700 354219205 /nfs/dbraw/zinc/21/92/05/354219205.db2.gz WHIVKQKDXVHLMT-NWDGAFQWSA-N 1 0 300.384 1.028 20 5 DDBDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000346192520 283017547 /nfs/dbraw/zinc/01/75/47/283017547.db2.gz NLMHDWPAINVCFG-AXFHLTTASA-N 1 0 307.354 1.120 20 5 DDBDRO NC(=O)c1ccc(C[N@@H+]2CCC[C@H](CO)CC2)c([N+](=O)[O-])c1 ZINC000293092927 354454070 /nfs/dbraw/zinc/45/40/70/354454070.db2.gz KMLIRUHSONPMPN-NSHDSACASA-N 1 0 307.350 1.288 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@H](C)C[C@@H](C)[NH3+])c1C ZINC000320749359 354528898 /nfs/dbraw/zinc/52/88/98/354528898.db2.gz VULVMSUSFONYFG-NXEZZACHSA-N 1 0 315.395 1.616 20 5 DDBDRO [NH3+]C[C@]12CCC[C@H]1CN(CC(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC000323856673 354541952 /nfs/dbraw/zinc/54/19/52/354541952.db2.gz ZRVYDSCSVYXLPM-LRDDRELGSA-N 1 0 318.377 1.594 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCSc2ccccc2)c1 ZINC000314609955 354487324 /nfs/dbraw/zinc/48/73/24/354487324.db2.gz UUPBARBSCFRQOU-ZDUSSCGKSA-N 1 0 322.390 1.534 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[NH2+]C2(CCCCC2)C1 ZINC000400760379 354663667 /nfs/dbraw/zinc/66/36/67/354663667.db2.gz QINHQNFBKGBAAJ-UHFFFAOYSA-N 1 0 306.366 1.682 20 5 DDBDRO CCn1c(C)nc([N+](=O)[O-])c1NCCCN1CCC[N@H+](C)CC1 ZINC000588816018 354938573 /nfs/dbraw/zinc/93/85/73/354938573.db2.gz KVOKFEJDBSHHJB-UHFFFAOYSA-N 1 0 324.429 1.559 20 5 DDBDRO C[NH+](C)C[C@@H](CO)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000589101709 354959459 /nfs/dbraw/zinc/95/94/59/354959459.db2.gz IRZSXJHUVXYBHQ-VIFPVBQESA-N 1 0 307.272 1.948 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(CN2C[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000589504376 354997818 /nfs/dbraw/zinc/99/78/18/354997818.db2.gz SDQKWBGNRMVKAF-STQMWFEESA-N 1 0 305.334 1.033 20 5 DDBDRO C[NH+]1CCC2(CCN(C(=O)CCn3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000590376074 355078325 /nfs/dbraw/zinc/07/83/25/355078325.db2.gz UGMXMXGWTKYJSU-UHFFFAOYSA-N 1 0 321.381 1.126 20 5 DDBDRO C[N@@H+]1CCC[C@@]2(CCN(c3cc(N)c([N+](=O)[O-])c(CO)c3)C2)C1 ZINC000590141908 355053096 /nfs/dbraw/zinc/05/30/96/355053096.db2.gz IKWCJWCYWIVQRG-MRXNPFEDSA-N 1 0 320.393 1.591 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)N2CC[C@H]([NH+](C)C)[C@H]2C)c1[N+](=O)[O-] ZINC000590403652 355086216 /nfs/dbraw/zinc/08/62/16/355086216.db2.gz LLZRDAJUGYRHRW-ZJUUUORDSA-N 1 0 309.370 1.606 20 5 DDBDRO C[N@@H+]1C[C@H]2CCN(C(=O)COc3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000590443430 355097218 /nfs/dbraw/zinc/09/72/18/355097218.db2.gz IRCCTHOBQYUGRL-BXUZGUMPSA-N 1 0 305.334 1.136 20 5 DDBDRO COc1cccc(C(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)c1[N+](=O)[O-] ZINC000590447418 355099541 /nfs/dbraw/zinc/09/95/41/355099541.db2.gz XDCSNEKQAIPBIM-CMPLNLGQSA-N 1 0 305.334 1.380 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC[N@H+](C[C@@H]3CCCO3)CC2)cn1 ZINC000590685649 355146970 /nfs/dbraw/zinc/14/69/70/355146970.db2.gz HYNULAHNTKCNMM-AWEZNQCLSA-N 1 0 306.366 1.681 20 5 DDBDRO Cc1cnc(N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)c([N+](=O)[O-])c1 ZINC000591443696 355313184 /nfs/dbraw/zinc/31/31/84/355313184.db2.gz BVGVNMUSHXYREP-OCCSQVGLSA-N 1 0 306.366 1.631 20 5 DDBDRO C[C@@H]1C[C@H](CO)C[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000591505191 355322309 /nfs/dbraw/zinc/32/23/09/355322309.db2.gz DOKXVNXAAOMFOI-NEPJUHHUSA-N 1 0 322.361 1.816 20 5 DDBDRO [NH3+]C/C=C\CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000591279343 355276945 /nfs/dbraw/zinc/27/69/45/355276945.db2.gz GZBLPRCZVSNTLG-UPHRSURJSA-N 1 0 316.264 1.833 20 5 DDBDRO CN1CCC[C@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000591734048 355374059 /nfs/dbraw/zinc/37/40/59/355374059.db2.gz YOUWVZCMHGXUGN-JSGCOSHPSA-N 1 0 309.366 1.018 20 5 DDBDRO CC[C@@H]1CN(C(=O)COc2ccccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000592331651 355561052 /nfs/dbraw/zinc/56/10/52/355561052.db2.gz LZYRGCSKUWNKAZ-NEPJUHHUSA-N 1 0 307.350 1.559 20 5 DDBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000592217843 355542455 /nfs/dbraw/zinc/54/24/55/355542455.db2.gz YPQFLRPSFWZWQO-WDEREUQCSA-N 1 0 324.385 1.264 20 5 DDBDRO Cc1n[nH]c(C(=O)N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC000592256421 355548604 /nfs/dbraw/zinc/54/86/04/355548604.db2.gz YYVKIUTXUBTMKW-RYUDHWBXSA-N 1 0 321.381 1.478 20 5 DDBDRO C[C@H]([NH3+])[C@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CCO1 ZINC000592312437 355556874 /nfs/dbraw/zinc/55/68/74/355556874.db2.gz UXPGQJSPUYAKQS-LKFCYVNXSA-N 1 0 319.317 1.529 20 5 DDBDRO CC[C@H]1CN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC[C@@H]1[NH3+] ZINC000592330895 355560628 /nfs/dbraw/zinc/56/06/28/355560628.db2.gz DWZOGYRVIZXQNX-FZMZJTMJSA-N 1 0 307.350 1.559 20 5 DDBDRO O=C(COc1ccccc1[N+](=O)[O-])N[C@H]1CC[NH2+]C12CCCC2 ZINC000592571153 355633513 /nfs/dbraw/zinc/63/35/13/355633513.db2.gz SSSFXGBVTKUCKW-AWEZNQCLSA-N 1 0 319.361 1.765 20 5 DDBDRO CCCN(C(=O)COc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@H+](C)C1 ZINC000592833240 355707669 /nfs/dbraw/zinc/70/76/69/355707669.db2.gz XKDAVOJZALXMDM-CQSZACIVSA-N 1 0 321.377 1.916 20 5 DDBDRO CN(CC[NH+]1CCCCC1)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000593884657 356040698 /nfs/dbraw/zinc/04/06/98/356040698.db2.gz VTBSHXANISGBHM-UHFFFAOYSA-N 1 0 306.366 1.735 20 5 DDBDRO COc1cccc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1[N+](=O)[O-] ZINC000593911143 356055152 /nfs/dbraw/zinc/05/51/52/356055152.db2.gz DQACWKYDICLJLB-ZBEGNZNMSA-N 1 0 319.361 1.804 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)NCCC1CC[NH2+]CC1 ZINC000593919255 356060777 /nfs/dbraw/zinc/06/07/77/356060777.db2.gz PKEPJAKMOJSMDB-UHFFFAOYSA-N 1 0 307.350 1.480 20 5 DDBDRO COc1cccc([N+](=O)[O-])c1N1CCOC2(CC[NH+](C)CC2)C1 ZINC000594586257 356256918 /nfs/dbraw/zinc/25/69/18/356256918.db2.gz OHRRSJFXFYRSEW-UHFFFAOYSA-N 1 0 321.377 1.904 20 5 DDBDRO NC(=O)c1cc([N+](=O)[O-])cnc1N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594600570 356261011 /nfs/dbraw/zinc/26/10/11/356261011.db2.gz MFEFLQSWRUFQBP-QWHCGFSZSA-N 1 0 319.365 1.518 20 5 DDBDRO C[C@H]1C[C@H](C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H](C)C1 ZINC000594716224 356294709 /nfs/dbraw/zinc/29/47/09/356294709.db2.gz MLMJGFWHHIAGSK-JLNYLFASSA-N 1 0 310.398 1.814 20 5 DDBDRO COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000594919639 356354336 /nfs/dbraw/zinc/35/43/36/356354336.db2.gz IEIVOAYASKSNQZ-TVYUQYBPSA-N 1 0 308.334 1.891 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000595241902 356415258 /nfs/dbraw/zinc/41/52/58/356415258.db2.gz MKUSNZGOUGHFDF-GFCCVEGCSA-N 1 0 322.365 1.331 20 5 DDBDRO Cc1noc(CN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c1[N+](=O)[O-] ZINC000595389818 356475446 /nfs/dbraw/zinc/47/54/46/356475446.db2.gz PWTQEOXNWIPCEY-YNEHKIRRSA-N 1 0 324.381 1.575 20 5 DDBDRO CCC[N@@H+]1CC[C@H](NC(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000595477493 356509638 /nfs/dbraw/zinc/50/96/38/356509638.db2.gz UOUQAPAHMKRUCZ-ZDUSSCGKSA-N 1 0 306.366 1.878 20 5 DDBDRO CC(C)C[C@H](C[NH3+])NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000236841589 202034243 /nfs/dbraw/zinc/03/42/43/202034243.db2.gz BSBDMHSDKJQOMN-GFCCVEGCSA-N 1 0 308.382 1.521 20 5 DDBDRO Cc1cc(S(=O)(=O)NC[C@H](C)C[NH3+])c(C)cc1[N+](=O)[O-] ZINC000565245228 304057822 /nfs/dbraw/zinc/05/78/22/304057822.db2.gz KIQBCLFFAFSMFT-MRVPVSSYSA-N 1 0 301.368 1.085 20 5 DDBDRO C[C@@H]1COC2(CCCC2)C[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000595816418 356662269 /nfs/dbraw/zinc/66/22/69/356662269.db2.gz WZMKQJBKGLOCLA-OCCSQVGLSA-N 1 0 324.381 1.186 20 5 DDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@H]([NH3+])C2CC2)cc1OC ZINC000237050596 202136400 /nfs/dbraw/zinc/13/64/00/202136400.db2.gz IYHSHDCPTIOERV-NSHDSACASA-N 1 0 323.349 1.469 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)CC(C)(C)[NH3+] ZINC000595902538 356698158 /nfs/dbraw/zinc/69/81/58/356698158.db2.gz RIYHHBFENPJEMS-UHFFFAOYSA-N 1 0 324.381 1.601 20 5 DDBDRO O=C(NCc1ccccc1[N+](=O)[O-])c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000595919061 356704828 /nfs/dbraw/zinc/70/48/28/356704828.db2.gz GAVSQSIHLXLTHS-NSHDSACASA-N 1 0 315.333 1.325 20 5 DDBDRO O=C(c1cccc2c1C[NH2+]C2)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000595954315 356721826 /nfs/dbraw/zinc/72/18/26/356721826.db2.gz SAVYFGWWQPPLOI-UHFFFAOYSA-N 1 0 324.340 1.792 20 5 DDBDRO C[NH2+]C[C@H](C)NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000595982348 356735409 /nfs/dbraw/zinc/73/54/09/356735409.db2.gz ISOUTRGFTDFYOS-QMMMGPOBSA-N 1 0 304.306 1.186 20 5 DDBDRO C[C@@]1(NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC[NH2+]C1 ZINC000595991772 356738679 /nfs/dbraw/zinc/73/86/79/356738679.db2.gz KFNHRMZUJIBIGO-OAHLLOKOSA-N 1 0 306.366 1.655 20 5 DDBDRO [NH3+]C1(CC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000595940132 356715234 /nfs/dbraw/zinc/71/52/34/356715234.db2.gz NXBTXSWNDNTODG-UHFFFAOYSA-N 1 0 319.361 1.846 20 5 DDBDRO O=C(Nc1ccc([C@H]2C[NH2+]CCO2)cc1)c1cc([N+](=O)[O-])n[nH]1 ZINC000595943502 356716676 /nfs/dbraw/zinc/71/66/76/356716676.db2.gz QEVBLDYDEGNWNP-GFCCVEGCSA-N 1 0 317.305 1.231 20 5 DDBDRO C[C@@H]1C[NH+](CCCNc2cc[nH]c(=O)c2[N+](=O)[O-])C[C@@H](C)O1 ZINC000596071065 356762012 /nfs/dbraw/zinc/76/20/12/356762012.db2.gz XIBSXZWNBDKMDX-GHMZBOCLSA-N 1 0 310.354 1.607 20 5 DDBDRO CC[NH+]1CCN(CCNc2ccc([N+](=O)[O-])c(N)c2F)CC1 ZINC000596074311 356762319 /nfs/dbraw/zinc/76/23/19/356762319.db2.gz SXAMLFLGVXMOBM-UHFFFAOYSA-N 1 0 311.361 1.366 20 5 DDBDRO CC[N@@H+]1C[C@@H](C)N(c2ccc([N+](=O)[O-])c(C(N)=O)c2)C[C@@H]1C ZINC000596176409 356803057 /nfs/dbraw/zinc/80/30/57/356803057.db2.gz FVCYCRMVWFQOGI-WDEREUQCSA-N 1 0 306.366 1.613 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CCN(c3ccc([N+](=O)[O-])c(C(N)=O)c3)[C@H]2C1 ZINC000596189727 356806914 /nfs/dbraw/zinc/80/69/14/356806914.db2.gz QGHLRECYVULPHF-YGRLFVJLSA-N 1 0 304.350 1.224 20 5 DDBDRO Cc1nn(C)c(N[C@@H](C)CN(C)CCC[NH+](C)C)c1[N+](=O)[O-] ZINC000596364583 356864306 /nfs/dbraw/zinc/86/43/06/356864306.db2.gz PAAVRFNCBXJUDU-NSHDSACASA-N 1 0 312.418 1.321 20 5 DDBDRO C[NH2+]C[C@H]1CCCN1C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000237228177 202196930 /nfs/dbraw/zinc/19/69/30/202196930.db2.gz KYYHOGCOCUQZGK-SNVBAGLBSA-N 1 0 311.313 1.323 20 5 DDBDRO C[NH+](C)CCNC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597099830 357060948 /nfs/dbraw/zinc/06/09/48/357060948.db2.gz FAXFHHBVAGHIKD-UHFFFAOYSA-N 1 0 301.734 1.514 20 5 DDBDRO Cc1nn(C)c(C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)c1[N+](=O)[O-] ZINC000597859015 357360856 /nfs/dbraw/zinc/36/08/56/357360856.db2.gz PYBRHMJKHBMVGF-JTQLQIEISA-N 1 0 309.370 1.239 20 5 DDBDRO CCN(C(=O)c1cccc([N+](=O)[O-])c1OC)[C@@H]1CC[N@H+](C)C1 ZINC000597943935 357392843 /nfs/dbraw/zinc/39/28/43/357392843.db2.gz BCAISPCHHSAIES-LLVKDONJSA-N 1 0 307.350 1.770 20 5 DDBDRO O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1[nH]ncc1[N+](=O)[O-] ZINC000598220995 357497529 /nfs/dbraw/zinc/49/75/29/357497529.db2.gz SZSJEJXPOOVWLF-SNVBAGLBSA-N 1 0 307.354 1.455 20 5 DDBDRO Cc1nn(CCC(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)c(C)c1[N+](=O)[O-] ZINC000598669968 357678946 /nfs/dbraw/zinc/67/89/46/357678946.db2.gz ONFZOECPBQTNRK-WFASDCNBSA-N 1 0 321.381 1.138 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)CC[C@H]1CCC[NH2+]C1 ZINC000598665707 357677062 /nfs/dbraw/zinc/67/70/62/357677062.db2.gz YGQYJAVMFDZYNP-GFCCVEGCSA-N 1 0 321.377 1.999 20 5 DDBDRO CC(C)[C@H]1CN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC[NH2+]1 ZINC000598574792 357637847 /nfs/dbraw/zinc/63/78/47/357637847.db2.gz UNDZAAXYIPYIHO-LLVKDONJSA-N 1 0 321.333 1.394 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CCc2ccco2)c1 ZINC000598763004 357721201 /nfs/dbraw/zinc/72/12/01/357721201.db2.gz HQCYRXXEUJSTTA-CYBMUJFWSA-N 1 0 306.318 1.760 20 5 DDBDRO Cc1ccc(S(=O)(=O)NC[C@H]2CCC[NH2+]2)c(C)c1[N+](=O)[O-] ZINC000598716812 357702533 /nfs/dbraw/zinc/70/25/33/357702533.db2.gz QSYHHDCYWICWQI-LLVKDONJSA-N 1 0 313.379 1.242 20 5 DDBDRO COc1cc(C[NH2+]CCc2cncn2C)c([N+](=O)[O-])cc1O ZINC000598917671 357757810 /nfs/dbraw/zinc/75/78/10/357757810.db2.gz FUEFXTCLKFVOAL-UHFFFAOYSA-N 1 0 306.322 1.375 20 5 DDBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@H](O)CC1(O)CCC1 ZINC000599412155 357925879 /nfs/dbraw/zinc/92/58/79/357925879.db2.gz GIKYEOLAKLQVRX-CQSZACIVSA-N 1 0 308.378 1.735 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000599606241 357990764 /nfs/dbraw/zinc/99/07/64/357990764.db2.gz MYAGAOXAAPSPHQ-LLVKDONJSA-N 1 0 308.338 1.322 20 5 DDBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000599624096 357996456 /nfs/dbraw/zinc/99/64/56/357996456.db2.gz PFTKEMMCNOAEOF-VBNZEHGJSA-N 1 0 308.378 1.969 20 5 DDBDRO COC(=O)[C@](C)(NC[C@H]1CCC[N@@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000599648752 358006368 /nfs/dbraw/zinc/00/63/68/358006368.db2.gz FAWVWPIHGPCJBM-GDBMZVCRSA-N 1 0 321.377 1.667 20 5 DDBDRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000599940990 358085897 /nfs/dbraw/zinc/08/58/97/358085897.db2.gz VPWVXRUPRYCNQA-WCQYABFASA-N 1 0 306.366 1.529 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000599992572 358098503 /nfs/dbraw/zinc/09/85/03/358098503.db2.gz WQUWKYUTKYGYAJ-HBYGRHMLSA-N 1 0 319.361 1.626 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCC[N@H+](C)C2)n1 ZINC000600315271 358194175 /nfs/dbraw/zinc/19/41/75/358194175.db2.gz QVWDRXAJJYEMJL-LLVKDONJSA-N 1 0 309.370 1.273 20 5 DDBDRO C[NH2+]CC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000237348133 202240340 /nfs/dbraw/zinc/24/03/40/202240340.db2.gz DSVAPYATKRZKKV-UHFFFAOYSA-N 1 0 307.350 1.675 20 5 DDBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H]2COCCN2)cc1[N+](=O)[O-] ZINC000600710235 358290861 /nfs/dbraw/zinc/29/08/61/358290861.db2.gz MUAJAHXTJXTOAZ-WCQYABFASA-N 1 0 309.366 1.633 20 5 DDBDRO C[NH+](C)CCCn1cc(COc2ccc([N+](=O)[O-])cc2)nn1 ZINC000600967556 358362089 /nfs/dbraw/zinc/36/20/89/358362089.db2.gz VACPLEYWFKKZRX-UHFFFAOYSA-N 1 0 305.338 1.717 20 5 DDBDRO O=[N+]([O-])c1ccc(OCc2cn(CC[NH+]3CCCC3)nn2)cc1 ZINC000600977607 358366941 /nfs/dbraw/zinc/36/69/41/358366941.db2.gz JLJSYYOTHQPCHS-UHFFFAOYSA-N 1 0 317.349 1.861 20 5 DDBDRO CCC[N@H+](C)CC(=O)N[C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000601775616 358689984 /nfs/dbraw/zinc/68/99/84/358689984.db2.gz GMVPMGCBAMOCIP-OAHLLOKOSA-N 1 0 309.366 1.260 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[NH2+][C@H]1CC ZINC000602545847 359036915 /nfs/dbraw/zinc/03/69/15/359036915.db2.gz XNDYXDFZKMDCQE-WDEREUQCSA-N 1 0 307.350 1.864 20 5 DDBDRO C[NH2+]CCOCCNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000602545110 359037041 /nfs/dbraw/zinc/03/70/41/359037041.db2.gz STXBRPNYLNLIRZ-UHFFFAOYSA-N 1 0 321.377 1.369 20 5 DDBDRO C[C@]1(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCOC1 ZINC000602551484 359041458 /nfs/dbraw/zinc/04/14/58/359041458.db2.gz OKPUVPMNTHHVPJ-MRXNPFEDSA-N 1 0 320.393 1.975 20 5 DDBDRO COc1ccc(CC(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)cc1[N+](=O)[O-] ZINC000602553369 359042122 /nfs/dbraw/zinc/04/21/22/359042122.db2.gz JUDCVXNBFFWJGX-ZYHUDNBSSA-N 1 0 307.350 1.403 20 5 DDBDRO C[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[C@@H]1CCOC1 ZINC000602559642 359045423 /nfs/dbraw/zinc/04/54/23/359045423.db2.gz VVBAVYTVYIVADB-CHWSQXEVSA-N 1 0 320.393 1.973 20 5 DDBDRO CO[C@H]1C[NH2+][C@@](C)(C(=O)N(C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000602444543 358980008 /nfs/dbraw/zinc/98/00/08/358980008.db2.gz PCJSAIXLTNEXJQ-IUODEOHRSA-N 1 0 307.350 1.320 20 5 DDBDRO CO[C@]1(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)CCOC1 ZINC000602454051 358987499 /nfs/dbraw/zinc/98/74/99/358987499.db2.gz NUTSTIZNPOZYBO-INIZCTEOSA-N 1 0 321.377 1.522 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C3CCC(O)CC3)CC2)cn1 ZINC000602620917 359078490 /nfs/dbraw/zinc/07/84/90/359078490.db2.gz NJSBSRUZZYKNII-UHFFFAOYSA-N 1 0 320.393 1.852 20 5 DDBDRO C[N@@H+]1C[C@@H]2CCN(Cc3nc4cc([N+](=O)[O-])ccc4o3)[C@@H]2C1 ZINC000602673578 359117652 /nfs/dbraw/zinc/11/76/52/359117652.db2.gz WAVQSHPJGFRCTJ-GXFFZTMASA-N 1 0 302.334 1.872 20 5 DDBDRO COc1cccc(C(=O)N2CCCCC[C@@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000602579341 359053459 /nfs/dbraw/zinc/05/34/59/359053459.db2.gz JWAFSLWZKXHOCY-LLVKDONJSA-N 1 0 307.350 1.947 20 5 DDBDRO Cn1c(C(=O)NCc2cccc3c2CC[NH2+]C3)ccc1[N+](=O)[O-] ZINC000602584497 359055242 /nfs/dbraw/zinc/05/52/42/359055242.db2.gz CVLAPDCJNJUZIF-UHFFFAOYSA-N 1 0 314.345 1.509 20 5 DDBDRO CN(C)C(=O)[C@H]1CC[C@H](C[NH2+]CCc2ccc([N+](=O)[O-])cc2)O1 ZINC000602584201 359055490 /nfs/dbraw/zinc/05/54/90/359055490.db2.gz YARTYTSUZWFXAZ-HUUCEWRRSA-N 1 0 321.377 1.363 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000602771580 359178945 /nfs/dbraw/zinc/17/89/45/359178945.db2.gz FLFZTIUSGSAYHZ-CYBMUJFWSA-N 1 0 304.354 1.633 20 5 DDBDRO COC(=O)[C@]1(C)CCC[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602843903 359232512 /nfs/dbraw/zinc/23/25/12/359232512.db2.gz LEGOTHFWKFPEIH-CQSZACIVSA-N 1 0 310.354 1.375 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(Cn2ccnn2)CC1 ZINC000602801983 359201208 /nfs/dbraw/zinc/20/12/08/359201208.db2.gz SCFSLPRNCZXEIO-UHFFFAOYSA-N 1 0 319.369 1.103 20 5 DDBDRO C[NH+](C)C[C@@]1(O)CCCN(Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000602892435 359275386 /nfs/dbraw/zinc/27/53/86/359275386.db2.gz RIOWLRZMYFNZFZ-HNNXBMFYSA-N 1 0 311.357 1.622 20 5 DDBDRO Cc1cncc([N+](=O)[O-])c1NC(=O)N1CCC([NH+](C)C)CC1 ZINC000602959658 359323218 /nfs/dbraw/zinc/32/32/18/359323218.db2.gz ZQVSKEFTRNAEMA-UHFFFAOYSA-N 1 0 307.354 1.278 20 5 DDBDRO Cc1nccn1CCC[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602963508 359326953 /nfs/dbraw/zinc/32/69/53/359326953.db2.gz WZOIEITUECSGHU-MRXNPFEDSA-N 1 0 318.377 1.987 20 5 DDBDRO COc1ccc(C[N@H+]2C[C@H](OC)C[C@]2(C)CO)cc1[N+](=O)[O-] ZINC000602963872 359328018 /nfs/dbraw/zinc/32/80/18/359328018.db2.gz JLEQPQOAGDOFCA-IUODEOHRSA-N 1 0 310.350 1.575 20 5 DDBDRO COc1cc(Cn2cc(C[C@@H]3CC[NH2+]C3)nn2)ccc1[N+](=O)[O-] ZINC000603242548 359508604 /nfs/dbraw/zinc/50/86/04/359508604.db2.gz BTQAZUWRKAXXRD-NSHDSACASA-N 1 0 317.349 1.395 20 5 DDBDRO Cc1nn(CCC[NH+]2CCOCC2)c2ncc([N+](=O)[O-])cc12 ZINC000603329534 359572261 /nfs/dbraw/zinc/57/22/61/359572261.db2.gz WEFBEWIBKALASN-UHFFFAOYSA-N 1 0 305.338 1.370 20 5 DDBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)CC[C@@H]21 ZINC000187194739 200075458 /nfs/dbraw/zinc/07/54/58/200075458.db2.gz DMBWAIRPECDWNB-JQWIXIFHSA-N 1 0 320.349 1.252 20 5 DDBDRO C[C@H](C[NH3+])CNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000237525596 202271871 /nfs/dbraw/zinc/27/18/71/202271871.db2.gz GWLHCAJFXAOFGE-SECBINFHSA-N 1 0 315.757 1.728 20 5 DDBDRO CN(C)C(=O)CCC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000618566839 363676003 /nfs/dbraw/zinc/67/60/03/363676003.db2.gz HJTMZXDEGJNIRU-CHWSQXEVSA-N 1 0 323.397 1.733 20 5 DDBDRO [NH3+]C1(C(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)CCCC1 ZINC000237904854 202386072 /nfs/dbraw/zinc/38/60/72/202386072.db2.gz VVWHGCHGGJNCET-NSHDSACASA-N 1 0 319.365 1.274 20 5 DDBDRO CO[C@H]1C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[C@@H]1C ZINC000189330496 200383476 /nfs/dbraw/zinc/38/34/76/200383476.db2.gz FWNVTPSLKZWTNH-HZMBPMFUSA-N 1 0 307.350 1.551 20 5 DDBDRO CC[N@H+](CCNC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1)C(C)C ZINC000609045017 360257953 /nfs/dbraw/zinc/25/79/53/360257953.db2.gz QGAWZIDDZAUDDH-UHFFFAOYSA-N 1 0 323.393 1.992 20 5 DDBDRO C[NH+](C)CC1(NC(=O)CCOc2ccccc2[N+](=O)[O-])CCC1 ZINC000281175365 216131056 /nfs/dbraw/zinc/13/10/56/216131056.db2.gz YENRPRPCDGUXBC-UHFFFAOYSA-N 1 0 321.377 1.964 20 5 DDBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000609833333 360354220 /nfs/dbraw/zinc/35/42/20/360354220.db2.gz HKMOJIVLIQOMGF-CYBMUJFWSA-N 1 0 323.397 1.480 20 5 DDBDRO C[C@@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)C1CC[NH+](C)CC1 ZINC000609583524 360329242 /nfs/dbraw/zinc/32/92/42/360329242.db2.gz NWANFTVCYYMGAU-GFCCVEGCSA-N 1 0 321.377 1.820 20 5 DDBDRO COc1ccc(CC(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000610208767 360391031 /nfs/dbraw/zinc/39/10/31/360391031.db2.gz KRPRCMCVDQXJMO-DGCLKSJQSA-N 1 0 321.377 1.745 20 5 DDBDRO Cc1nccc([C@H]2CCC[N@H+](CCn3cc([N+](=O)[O-])cn3)C2)n1 ZINC000610447557 360438643 /nfs/dbraw/zinc/43/86/43/360438643.db2.gz XIOWDHRTZQULRN-ZDUSSCGKSA-N 1 0 316.365 1.769 20 5 DDBDRO Cn1c(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000359058416 299316408 /nfs/dbraw/zinc/31/64/08/299316408.db2.gz WYNACLBOMOERFV-NSHDSACASA-N 1 0 306.366 1.680 20 5 DDBDRO Cc1ccc(NCCCNC(=O)[C@H](C)[C@@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000192065483 200811743 /nfs/dbraw/zinc/81/17/43/200811743.db2.gz GJKGBMKXUHXVDD-VXGBXAGGSA-N 1 0 308.382 1.805 20 5 DDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@H](C)C[NH+](C)C ZINC000292790591 223248424 /nfs/dbraw/zinc/24/84/24/223248424.db2.gz WTPMRWWGZGILRX-JTQLQIEISA-N 1 0 315.395 1.379 20 5 DDBDRO O=C(CNc1ccccc1[N+](=O)[O-])N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000292845598 223270367 /nfs/dbraw/zinc/27/03/67/223270367.db2.gz CPFJUJWFVYAXTP-NWDGAFQWSA-N 1 0 304.350 1.217 20 5 DDBDRO COc1cc(OCC(=O)N[C@@H]2CCC[NH2+][C@H]2C)ccc1[N+](=O)[O-] ZINC000193601824 201083668 /nfs/dbraw/zinc/08/36/68/201083668.db2.gz FRQCLPOTAVHMFH-CMPLNLGQSA-N 1 0 323.349 1.239 20 5 DDBDRO Cc1cccc(C(=O)N2CCC[C@](O)(C[NH+](C)C)C2)c1[N+](=O)[O-] ZINC000618924039 363803500 /nfs/dbraw/zinc/80/35/00/363803500.db2.gz OWTHCJPENJBDIR-INIZCTEOSA-N 1 0 321.377 1.432 20 5 DDBDRO CC[C@H]1C[N@H+](C)CCCN1C(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000619578160 364070985 /nfs/dbraw/zinc/07/09/85/364070985.db2.gz AZYZTKRUBVPFSB-ZDUSSCGKSA-N 1 0 323.397 1.433 20 5 DDBDRO C[C@](C[NH3+])(NC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000493869048 291331748 /nfs/dbraw/zinc/33/17/48/291331748.db2.gz KGPLOOISXAAVHZ-YFUKIHRRSA-N 1 0 307.325 1.991 20 5 DDBDRO C[NH2+][C@@H]1CCCN(C(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)C1 ZINC000261815865 203124145 /nfs/dbraw/zinc/12/41/45/203124145.db2.gz XHAOMRAKJWJVBU-LLVKDONJSA-N 1 0 323.349 1.436 20 5 DDBDRO Cc1ccc([C@H](C)NC(=O)C2(C[NH3+])CCOCC2)cc1[N+](=O)[O-] ZINC000261867179 203137564 /nfs/dbraw/zinc/13/75/64/203137564.db2.gz CRUYNMBQOLVXMN-LBPRGKRZSA-N 1 0 321.377 1.836 20 5 DDBDRO C[C@H](CC[NH3+])NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000349984379 284126574 /nfs/dbraw/zinc/12/65/74/284126574.db2.gz DJNYQINELRSERP-BDAKNGLRSA-N 1 0 315.757 1.869 20 5 DDBDRO [NH3+]C[C@H]1CCCN1C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000262186212 203223894 /nfs/dbraw/zinc/22/38/94/203223894.db2.gz LOCXBDNPQJJBPK-LLVKDONJSA-N 1 0 315.333 1.344 20 5 DDBDRO CO[C@@H]1CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000282271329 216873626 /nfs/dbraw/zinc/87/36/26/216873626.db2.gz HPWSVYHUXSHRAZ-AEGPPILISA-N 1 0 324.377 1.834 20 5 DDBDRO O=C(CCOc1ccccc1[N+](=O)[O-])NCC[C@@H]1CC[NH2+]C1 ZINC000262566959 203333826 /nfs/dbraw/zinc/33/38/26/203333826.db2.gz DPHQUJXZFSTHND-LBPRGKRZSA-N 1 0 307.350 1.480 20 5 DDBDRO Cc1nn(CCC(=O)N(C)CC(C)(C)C[NH3+])c(C)c1[N+](=O)[O-] ZINC000262582087 203337506 /nfs/dbraw/zinc/33/75/06/203337506.db2.gz KNVDZAYFIODXJX-UHFFFAOYSA-N 1 0 311.386 1.242 20 5 DDBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C1(C(N)=O)CCCC1 ZINC000093212064 193216983 /nfs/dbraw/zinc/21/69/83/193216983.db2.gz ATQDJWWAAABLSQ-UHFFFAOYSA-N 1 0 307.350 1.704 20 5 DDBDRO O=C(CNc1ccccc1[N+](=O)[O-])N1CC[NH+](C2CCC2)CC1 ZINC000264941325 204287399 /nfs/dbraw/zinc/28/73/99/204287399.db2.gz HOWNYWZKKZEZSV-UHFFFAOYSA-N 1 0 318.377 1.703 20 5 DDBDRO CC[NH+]1CCC(N[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000266181893 205164768 /nfs/dbraw/zinc/16/47/68/205164768.db2.gz SLSYDUJBMFOTSX-LBPRGKRZSA-N 1 0 320.393 1.996 20 5 DDBDRO CN(CC[C@H]1CCCC[N@@H+]1C)c1ncc([N+](=O)[O-])cc1C(N)=O ZINC000266231238 205201972 /nfs/dbraw/zinc/20/19/72/205201972.db2.gz JMOIBSAMUURWQI-LLVKDONJSA-N 1 0 321.381 1.399 20 5 DDBDRO C[C@@H]1c2ccsc2CC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266382017 205305622 /nfs/dbraw/zinc/30/56/22/205305622.db2.gz AYSUYPNZTOOVQW-ZYHUDNBSSA-N 1 0 322.390 1.833 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](CO)C[NH+]1CCCCC1 ZINC000288574855 220252114 /nfs/dbraw/zinc/25/21/14/220252114.db2.gz RDFOOIDBPMNEJX-ZDUSSCGKSA-N 1 0 321.377 1.480 20 5 DDBDRO Cc1cc(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)c(N)c([N+](=O)[O-])c1 ZINC000267365958 206015459 /nfs/dbraw/zinc/01/54/59/206015459.db2.gz XHZBLBNREQWVGU-QWHCGFSZSA-N 1 0 318.377 1.842 20 5 DDBDRO CC(C)[NH2+]C1(CO)CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000567120598 304197809 /nfs/dbraw/zinc/19/78/09/304197809.db2.gz GSROIGWOHPMLAU-UHFFFAOYSA-N 1 0 313.423 1.981 20 5 DDBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000121124599 248270627 /nfs/dbraw/zinc/27/06/27/248270627.db2.gz WPZVXRQXTAEJLT-WFASDCNBSA-N 1 0 321.377 1.772 20 5 DDBDRO O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000289622474 296250460 /nfs/dbraw/zinc/25/04/60/296250460.db2.gz GVQJDWWIJVNONS-VHSXEESVSA-N 1 0 309.753 1.930 20 5 DDBDRO Cn1cc([N+](=O)[O-])c(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)n1 ZINC000270766576 248675329 /nfs/dbraw/zinc/67/53/29/248675329.db2.gz GSZHRJTWUAEKPT-NSHDSACASA-N 1 0 311.386 1.425 20 5 DDBDRO Cc1cc(OCC(=O)N2CC[C@@H](C[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000281047953 248754990 /nfs/dbraw/zinc/75/49/90/248754990.db2.gz AOAPNYBZAWJHRR-ZDUSSCGKSA-N 1 0 321.377 1.692 20 5 DDBDRO Cn1cc([C@H](CO)[NH2+]CCOc2cccc([N+](=O)[O-])c2)cn1 ZINC000274123955 211376706 /nfs/dbraw/zinc/37/67/06/211376706.db2.gz XMZIPRWMHNXCCE-AWEZNQCLSA-N 1 0 306.322 1.030 20 5 DDBDRO Cc1cccc(C(=O)NC[C@](C)(O)CC[NH+](C)C)c1[N+](=O)[O-] ZINC000352107309 284788244 /nfs/dbraw/zinc/78/82/44/284788244.db2.gz PNIMQKRYQBZPGB-OAHLLOKOSA-N 1 0 309.366 1.336 20 5 DDBDRO CO[C@H]1C[C@@H]([N@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000285244886 218349932 /nfs/dbraw/zinc/34/99/32/218349932.db2.gz CARKFRSAMJYRSB-RWMBFGLXSA-N 1 0 310.350 1.444 20 5 DDBDRO C[NH2+][C@@H]1CCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000269111245 207249345 /nfs/dbraw/zinc/24/93/45/207249345.db2.gz FHQXXWNXNFRUNP-CYBMUJFWSA-N 1 0 318.377 1.629 20 5 DDBDRO CC(C)(C[NH3+])NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000063020555 184267359 /nfs/dbraw/zinc/26/73/59/184267359.db2.gz HRLWLYPHJNZISY-UHFFFAOYSA-N 1 0 307.759 1.264 20 5 DDBDRO C[NH2+]CCCNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000269187095 207306331 /nfs/dbraw/zinc/30/63/31/207306331.db2.gz NGGMJUZVJPGSOD-UHFFFAOYSA-N 1 0 305.256 1.953 20 5 DDBDRO CC[C@H](C)[N@H+](C)CCNC(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000066140445 184392480 /nfs/dbraw/zinc/39/24/80/184392480.db2.gz MJQMYAVUEWNTBH-NSHDSACASA-N 1 0 311.386 1.336 20 5 DDBDRO Cc1c(C(=O)N[C@H](C[NH3+])C2CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000159211337 197336332 /nfs/dbraw/zinc/33/63/32/197336332.db2.gz RBHUEJAKNARHJT-LLVKDONJSA-N 1 0 308.294 1.279 20 5 DDBDRO O=[N+]([O-])c1cccnc1N1CC[NH+](C[C@@H]2CCSC2)CC1 ZINC000296081698 285166439 /nfs/dbraw/zinc/16/64/39/285166439.db2.gz RVWSPGLCOGDAHY-LBPRGKRZSA-N 1 0 308.407 1.865 20 5 DDBDRO COC[C@H]1CCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000452102746 533136397 /nfs/dbraw/zinc/13/63/97/533136397.db2.gz LCHQKLZGTLFAJK-LBPRGKRZSA-N 1 0 321.377 1.942 20 5 DDBDRO COCCO[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000444750489 533171761 /nfs/dbraw/zinc/17/17/61/533171761.db2.gz DXXDWRKXOGSZBE-CYBMUJFWSA-N 1 0 310.350 1.841 20 5 DDBDRO CCC[C@@]1([NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CCOC1 ZINC000352828686 285325626 /nfs/dbraw/zinc/32/56/26/285325626.db2.gz YQLJQFOUYNYUQL-OAHLLOKOSA-N 1 0 307.350 1.743 20 5 DDBDRO Cc1nc(N2CCC(OCCC[NH+](C)C)CC2)ncc1[N+](=O)[O-] ZINC000297616385 227373409 /nfs/dbraw/zinc/37/34/09/227373409.db2.gz WCCSTPARMPJCMV-UHFFFAOYSA-N 1 0 323.397 1.630 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CCCOC[C@H]2CCOC2)cc1 ZINC001120497547 781985953 /nfs/dbraw/zinc/98/59/53/781985953.db2.gz VZMHOEJMJKGDJY-CZUORRHYSA-N 1 0 324.377 1.661 20 5 DDBDRO C[C@H](CC[NH+](C)C)NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000352879752 285356112 /nfs/dbraw/zinc/35/61/12/285356112.db2.gz GPVJHGILAJZNNH-SNVBAGLBSA-N 1 0 301.368 1.213 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@](C)(CO)C(C)C ZINC000352890364 285365312 /nfs/dbraw/zinc/36/53/12/285365312.db2.gz CTWSXXSBCCUFHZ-HNNXBMFYSA-N 1 0 309.366 1.838 20 5 DDBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1C[C@@](C)(O)C1 ZINC000417358427 533449030 /nfs/dbraw/zinc/44/90/30/533449030.db2.gz TVFYFAKRZAKTFZ-ITDIGPHOSA-N 1 0 307.350 1.815 20 5 DDBDRO COc1cc(C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)cc([N+](=O)[O-])c1C ZINC000457382359 533525633 /nfs/dbraw/zinc/52/56/33/533525633.db2.gz RMJMZCWTVSJXQY-WCQYABFASA-N 1 0 319.361 1.593 20 5 DDBDRO COc1cc(C(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c([N+](=O)[O-])cc1F ZINC000295848886 533528532 /nfs/dbraw/zinc/52/85/32/533528532.db2.gz DHSAYSQDUCSHKB-AOOOYVTPSA-N 1 0 323.324 1.376 20 5 DDBDRO CC(C)C[C@H](CNC(=O)CCn1cc([N+](=O)[O-])cn1)[NH+](C)C ZINC000114377445 407566963 /nfs/dbraw/zinc/56/69/63/407566963.db2.gz JPVBHDDQFBCMKZ-GFCCVEGCSA-N 1 0 311.386 1.274 20 5 DDBDRO COc1ccc(C[NH2+][C@@H]2CCCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000069144524 406685495 /nfs/dbraw/zinc/68/54/95/406685495.db2.gz SMJXUGXHWRUGTB-LLVKDONJSA-N 1 0 314.363 1.270 20 5 DDBDRO C[NH2+]CCCNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000036298071 406978015 /nfs/dbraw/zinc/97/80/15/406978015.db2.gz MUDMPFZCYJITAK-UHFFFAOYSA-N 1 0 307.759 1.136 20 5 DDBDRO CC[NH+](CC)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000075632368 406938610 /nfs/dbraw/zinc/93/86/10/406938610.db2.gz ULFPDHDVWKLHJQ-UHFFFAOYSA-N 1 0 315.395 1.523 20 5 DDBDRO O=C1c2cccc([N+](=O)[O-])c2C(=O)N1CC[NH+]1CCCCC1 ZINC000078386207 407026827 /nfs/dbraw/zinc/02/68/27/407026827.db2.gz RCIHTDVXCRTYME-UHFFFAOYSA-N 1 0 303.318 1.677 20 5 DDBDRO COc1cc(C[NH2+]C[C@@H]2CCCC[C@H]2O)c([N+](=O)[O-])cc1O ZINC000077465185 406991989 /nfs/dbraw/zinc/99/19/89/406991989.db2.gz RYFMMCVEFGZSMV-GXFFZTMASA-N 1 0 310.350 1.950 20 5 DDBDRO C[NH+](C)CCn1ccc(NC(=O)Nc2cccc([N+](=O)[O-])c2)n1 ZINC000102435843 407322844 /nfs/dbraw/zinc/32/28/44/407322844.db2.gz VXIHJHCGQWDMLX-UHFFFAOYSA-N 1 0 318.337 1.997 20 5 DDBDRO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000103283671 407336085 /nfs/dbraw/zinc/33/60/85/407336085.db2.gz ROGFRWFIJNZMQZ-QWHCGFSZSA-N 1 0 321.377 1.950 20 5 DDBDRO CN(CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@H]1CCOC1 ZINC000106886105 407365074 /nfs/dbraw/zinc/36/50/74/407365074.db2.gz IZBHSCBCPZYZLU-ZDUSSCGKSA-N 1 0 305.334 1.205 20 5 DDBDRO Nc1ccc(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000108783147 407390264 /nfs/dbraw/zinc/39/02/64/407390264.db2.gz DOLUTBXXIPAMOS-SNVBAGLBSA-N 1 0 304.350 1.391 20 5 DDBDRO C[N@@H+]1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000125636668 407394278 /nfs/dbraw/zinc/39/42/78/407394278.db2.gz AHDPXVWDWSREPR-NSHDSACASA-N 1 0 314.345 1.825 20 5 DDBDRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000113225732 407478330 /nfs/dbraw/zinc/47/83/30/407478330.db2.gz ZJLFGGFCYWXNAQ-NWDGAFQWSA-N 1 0 321.381 1.222 20 5 DDBDRO C[NH+](C)C[C@@H]1CCN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1 ZINC000113247720 407481731 /nfs/dbraw/zinc/48/17/31/407481731.db2.gz ABDNTTMIKRGDQN-NSHDSACASA-N 1 0 318.377 1.867 20 5 DDBDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000261693761 407581795 /nfs/dbraw/zinc/58/17/95/407581795.db2.gz IUGYHNRMWCWOSX-BDAKNGLRSA-N 1 0 303.322 1.280 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000185890073 407528842 /nfs/dbraw/zinc/52/88/42/407528842.db2.gz PXKZSXOIZNFMAX-UHFFFAOYSA-N 1 0 323.397 1.338 20 5 DDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000151962193 407533463 /nfs/dbraw/zinc/53/34/63/407533463.db2.gz PZIKDKLHIZQRIB-GFCCVEGCSA-N 1 0 320.393 1.732 20 5 DDBDRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000266464775 407540806 /nfs/dbraw/zinc/54/08/06/407540806.db2.gz ANTVJYIWWLQXLU-MNOVXSKESA-N 1 0 307.354 1.325 20 5 DDBDRO C[NH2+][C@H]1CCCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000261791361 407615418 /nfs/dbraw/zinc/61/54/18/407615418.db2.gz QLMIODTUKDCGAA-LBPRGKRZSA-N 1 0 317.349 1.829 20 5 DDBDRO C[N@@H+]1CCCN(C(=O)NCCc2ccccc2[N+](=O)[O-])CC1 ZINC000266744935 407620950 /nfs/dbraw/zinc/62/09/50/407620950.db2.gz FWIIPMGVMPSAAU-UHFFFAOYSA-N 1 0 306.366 1.484 20 5 DDBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000261846256 407638107 /nfs/dbraw/zinc/63/81/07/407638107.db2.gz ZFQDQPMLGOXDSQ-CHWSQXEVSA-N 1 0 320.393 1.443 20 5 DDBDRO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000261849574 407641553 /nfs/dbraw/zinc/64/15/53/407641553.db2.gz MHBJGVATOUBEES-QOARYFPJSA-N 1 0 321.381 1.204 20 5 DDBDRO Cc1c(C(=O)NC[C@H]2CCC[NH2+]C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000130039100 407647301 /nfs/dbraw/zinc/64/73/01/407647301.db2.gz XLLLEPMOLFJTHA-JTQLQIEISA-N 1 0 322.321 1.541 20 5 DDBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCC[NH2+]1 ZINC000178766406 407592773 /nfs/dbraw/zinc/59/27/73/407592773.db2.gz ZZUYAIFXOQTZRW-CYBMUJFWSA-N 1 0 306.366 1.655 20 5 DDBDRO CC(C)[C@@H]([NH3+])C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000261940296 407680942 /nfs/dbraw/zinc/68/09/42/407680942.db2.gz LHEUECODKFWLKK-CQSZACIVSA-N 1 0 306.366 1.227 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000115443610 407682160 /nfs/dbraw/zinc/68/21/60/407682160.db2.gz PPMAYMYLUVEZFZ-GFCCVEGCSA-N 1 0 306.366 1.712 20 5 DDBDRO C[NH+](C)[C@@]1(CNC(=O)c2csc([N+](=O)[O-])c2)CCSC1 ZINC000267054926 407730014 /nfs/dbraw/zinc/73/00/14/407730014.db2.gz ANXAOBMESCJWPM-GFCCVEGCSA-N 1 0 315.420 1.823 20 5 DDBDRO O=[N+]([O-])c1cccc(S(=O)(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)c1 ZINC000262034833 407721338 /nfs/dbraw/zinc/72/13/38/407721338.db2.gz KIFPWKAJXARXGA-GFCCVEGCSA-N 1 0 311.363 1.110 20 5 DDBDRO C[NH+](C)[C@@]1(CNc2ccc(C(N)=O)cc2[N+](=O)[O-])CCSC1 ZINC000267055022 407730927 /nfs/dbraw/zinc/73/09/27/407730927.db2.gz FVDPNTOWKJOTKM-CQSZACIVSA-N 1 0 324.406 1.543 20 5 DDBDRO CN(CC[NH+](C)C)C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000267060587 407733653 /nfs/dbraw/zinc/73/36/53/407733653.db2.gz BMUODZFAXBNRAU-UHFFFAOYSA-N 1 0 304.350 1.570 20 5 DDBDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000186663203 407736443 /nfs/dbraw/zinc/73/64/43/407736443.db2.gz FFYKKAXWWXMLKD-VXGBXAGGSA-N 1 0 307.350 1.478 20 5 DDBDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000186682390 407741522 /nfs/dbraw/zinc/74/15/22/407741522.db2.gz QIVSKJMPOUZIJN-QMTHXVAHSA-N 1 0 318.377 1.897 20 5 DDBDRO CC[N@H+](C)CCNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000117259848 407817755 /nfs/dbraw/zinc/81/77/55/407817755.db2.gz VOCBFXJQZAAZSS-UHFFFAOYSA-N 1 0 318.333 1.118 20 5 DDBDRO C[C@H]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000262554801 407864949 /nfs/dbraw/zinc/86/49/49/407864949.db2.gz TWNBTKQQZQVJQZ-GWCFXTLKSA-N 1 0 306.366 1.110 20 5 DDBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCC[NH2+]C1 ZINC000237999821 407866845 /nfs/dbraw/zinc/86/68/45/407866845.db2.gz KGWFLJUXQQEMAM-CYBMUJFWSA-N 1 0 320.393 1.903 20 5 DDBDRO CCS(=O)(=O)NCC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173356893 407876286 /nfs/dbraw/zinc/87/62/86/407876286.db2.gz GAIMIOPCQDICDG-SNVBAGLBSA-N 1 0 301.368 1.185 20 5 DDBDRO O=C(C[C@@H]1CSCC[NH2+]1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000238047880 407878017 /nfs/dbraw/zinc/87/80/17/407878017.db2.gz JNGDGIRQPMXMBP-CYBMUJFWSA-N 1 0 321.402 1.575 20 5 DDBDRO O=C(N[C@@H]1CCC[NH2+]C1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000238125161 407893792 /nfs/dbraw/zinc/89/37/92/407893792.db2.gz WOWMEINPCYZMLD-LLVKDONJSA-N 1 0 315.333 1.262 20 5 DDBDRO Cc1nn(CCC(=O)NC[C@@H]2CCCC[NH2+]2)c(C)c1[N+](=O)[O-] ZINC000237872516 407846719 /nfs/dbraw/zinc/84/67/19/407846719.db2.gz CXJSYAAZLDDNSI-LBPRGKRZSA-N 1 0 309.370 1.057 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000273053829 408035280 /nfs/dbraw/zinc/03/52/80/408035280.db2.gz XNCXPUDBIUDDHD-INIZCTEOSA-N 1 0 320.393 1.780 20 5 DDBDRO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000245715110 408050669 /nfs/dbraw/zinc/05/06/69/408050669.db2.gz NXDVFILTVWYRNR-ZYHUDNBSSA-N 1 0 306.366 1.636 20 5 DDBDRO C[C@H]1C[C@@H](NC(=O)CSc2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000262951217 407984049 /nfs/dbraw/zinc/98/40/49/407984049.db2.gz VMJRVDCAJPULPK-QWRGUYRKSA-N 1 0 309.391 1.944 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)COc3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000272577424 407992428 /nfs/dbraw/zinc/99/24/28/407992428.db2.gz GJQORMICQLVFOZ-IUODEOHRSA-N 1 0 319.361 1.526 20 5 DDBDRO CC[C@@H]([NH2+]CCCC(=O)NC(N)=O)c1cccc([N+](=O)[O-])c1 ZINC000181527513 408007063 /nfs/dbraw/zinc/00/70/63/408007063.db2.gz HVIQVPRZFOVQJK-GFCCVEGCSA-N 1 0 308.338 1.611 20 5 DDBDRO CC[NH+](CC)CCCNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000121312894 408183910 /nfs/dbraw/zinc/18/39/10/408183910.db2.gz BUSXLOOOULLEPA-UHFFFAOYSA-N 1 0 312.345 1.778 20 5 DDBDRO COc1cc(C(=O)N[C@@H]2CCC[C@H]2C[NH3+])cc([N+](=O)[O-])c1OC ZINC000269281428 408249671 /nfs/dbraw/zinc/24/96/71/408249671.db2.gz QPVLRSOCKJGDPV-GXSJLCMTSA-N 1 0 323.349 1.469 20 5 DDBDRO C[C@@H]([NH3+])[C@H](C)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000182845967 408263448 /nfs/dbraw/zinc/26/34/48/408263448.db2.gz UHHPXQJAPOWVOA-NWDGAFQWSA-N 1 0 306.366 1.227 20 5 DDBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])C1 ZINC000269451263 408314613 /nfs/dbraw/zinc/31/46/13/408314613.db2.gz GILOLGJBIFUTGS-LLVKDONJSA-N 1 0 323.397 1.855 20 5 DDBDRO C[NH+](C)[C@H]1CCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000263961456 408327654 /nfs/dbraw/zinc/32/76/54/408327654.db2.gz AKPIKZDHQNECBE-NSHDSACASA-N 1 0 302.334 1.852 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000269432741 408307597 /nfs/dbraw/zinc/30/75/97/408307597.db2.gz CIWNUFWVEGQKAL-GXSJLCMTSA-N 1 0 321.381 1.654 20 5 DDBDRO COc1ccc(C(=O)N2CCC[C@@H]2C[NH+](C)C)cc1[N+](=O)[O-] ZINC000263909277 408308508 /nfs/dbraw/zinc/30/85/08/408308508.db2.gz IYHNGKPUPVMERG-GFCCVEGCSA-N 1 0 307.350 1.770 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC(OC[C@H]3CCOC3)CC2)n1 ZINC000131991388 162028875 /nfs/dbraw/zinc/02/88/75/162028875.db2.gz VPMSJHQQCLYSSF-ZDUSSCGKSA-N 1 0 324.381 1.309 20 5 DDBDRO O=[N+]([O-])c1cnn(CCN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000134916911 162089978 /nfs/dbraw/zinc/08/99/78/162089978.db2.gz KSAGSJCWHRTRND-CJNGLKHVSA-N 1 0 319.409 1.740 20 5 DDBDRO Nc1c(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000176398733 408357884 /nfs/dbraw/zinc/35/78/84/408357884.db2.gz DGQWLLXQZUVTDB-NSHDSACASA-N 1 0 304.350 1.487 20 5 DDBDRO C[N@@H+]1CCC[C@H]2CN(c3ccc(C(N)=O)cc3[N+](=O)[O-])CC[C@H]21 ZINC000247104516 408409136 /nfs/dbraw/zinc/40/91/36/408409136.db2.gz SOPMXKQHYALAQB-QWHCGFSZSA-N 1 0 318.377 1.614 20 5 DDBDRO C[C@@H]1CCC[C@H](CO)[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000270421241 408529447 /nfs/dbraw/zinc/52/94/47/408529447.db2.gz GDVVUGMASBDFLJ-ZWNOBZJWSA-N 1 0 307.350 1.429 20 5 DDBDRO C[NH+](C)CCOc1cc(CNc2ncc([N+](=O)[O-])s2)ccn1 ZINC000192515994 408602768 /nfs/dbraw/zinc/60/27/68/408602768.db2.gz IDVNUYSFCDMTOY-UHFFFAOYSA-N 1 0 323.378 1.999 20 5 DDBDRO C[C@H]1C[C@H](NC(=O)COc2ccccc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000177198719 408549716 /nfs/dbraw/zinc/54/97/16/408549716.db2.gz SKEKEJPYNHMTPE-RYUDHWBXSA-N 1 0 319.361 1.715 20 5 DDBDRO CS[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1[NH+](C)C ZINC000270518186 408559977 /nfs/dbraw/zinc/55/99/77/408559977.db2.gz SHGLMNZYYQTNOH-CHWSQXEVSA-N 1 0 309.391 1.712 20 5 DDBDRO C[NH2+]C[C@H]1CCCN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000161280764 408582513 /nfs/dbraw/zinc/58/25/13/408582513.db2.gz ABAAWYKALDDEDU-GFCCVEGCSA-N 1 0 307.350 1.574 20 5 DDBDRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)CNc3ccccc3[N+](=O)[O-])C[C@H]12 ZINC000248637105 408606457 /nfs/dbraw/zinc/60/64/57/408606457.db2.gz QPEQOQVFNOSDTI-GRYCIOLGSA-N 1 0 304.350 1.202 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+](CCO)C1CCC1 ZINC000275920617 408720006 /nfs/dbraw/zinc/72/00/06/408720006.db2.gz ZHBWHZMZGCSSFV-ZDUSSCGKSA-N 1 0 310.350 1.181 20 5 DDBDRO O=C(c1n[nH]cc1[N+](=O)[O-])N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000162700934 408729564 /nfs/dbraw/zinc/72/95/64/408729564.db2.gz ORYIOKWGZFNDKM-LLVKDONJSA-N 1 0 307.354 1.408 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCCC[C@H]1C(N)=O ZINC000184833225 408700010 /nfs/dbraw/zinc/70/00/10/408700010.db2.gz RANQVERJNIIPIK-CHWSQXEVSA-N 1 0 307.350 1.737 20 5 DDBDRO CO[C@@H]1C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[C@@H]1C ZINC000251604252 408781733 /nfs/dbraw/zinc/78/17/33/408781733.db2.gz FWNVTPSLKZWTNH-IINYFYTJSA-N 1 0 307.350 1.551 20 5 DDBDRO Cc1c(CC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cccc1[N+](=O)[O-] ZINC000163798557 408791767 /nfs/dbraw/zinc/79/17/67/408791767.db2.gz IUYCPWYBCMZOSX-OKILXGFUSA-N 1 0 303.362 1.799 20 5 DDBDRO COC(=O)c1cc(NC(=O)/C=C/C[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000265694672 408749780 /nfs/dbraw/zinc/74/97/80/408749780.db2.gz ONTIRSXHFHSCGM-SNAWJCMRSA-N 1 0 307.306 1.438 20 5 DDBDRO CN1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000193868021 408750702 /nfs/dbraw/zinc/75/07/02/408750702.db2.gz BPNRGAYKYROOIS-UHFFFAOYSA-N 1 0 317.342 1.060 20 5 DDBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)N2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000163231659 408769633 /nfs/dbraw/zinc/76/96/33/408769633.db2.gz GLUQWPOHNJBONT-CYBMUJFWSA-N 1 0 320.393 1.328 20 5 DDBDRO Nc1c(C(=O)N2C[C@H]3CC[C@H]([NH3+])[C@@H]3C2)cc(F)cc1[N+](=O)[O-] ZINC000185148685 408769845 /nfs/dbraw/zinc/76/98/45/408769845.db2.gz LZJPOPJNFNXNNE-ONOSFVFSSA-N 1 0 308.313 1.125 20 5 DDBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)[N@H+](C)Cc1ccccc1 ZINC000285845344 408875463 /nfs/dbraw/zinc/87/54/63/408875463.db2.gz HUEHMKNQMVPUBP-NSHDSACASA-N 1 0 317.349 1.568 20 5 DDBDRO CCC[N@H+](C)C[C@H]1CCN(c2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000290796089 408834646 /nfs/dbraw/zinc/83/46/46/408834646.db2.gz OXZPUSXUKRAAAE-LLVKDONJSA-N 1 0 321.381 1.257 20 5 DDBDRO C[C@@H](CCNc1nccc(C(N)=O)c1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000290891421 408851258 /nfs/dbraw/zinc/85/12/58/408851258.db2.gz CXIDPEMGIZOOFG-NSHDSACASA-N 1 0 321.381 1.765 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(CCO)[C@H](C)C1 ZINC000188792545 163070539 /nfs/dbraw/zinc/07/05/39/163070539.db2.gz PPKAVXKEHMHQJX-GFCCVEGCSA-N 1 0 307.350 1.042 20 5 DDBDRO C[NH+]1CCN(CCNc2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000291744302 408915080 /nfs/dbraw/zinc/91/50/80/408915080.db2.gz ZAZFHXOFZVHIAX-UHFFFAOYSA-N 1 0 315.377 1.802 20 5 DDBDRO O=C(NC[C@H]1CC[NH2+]C1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000286102607 408923966 /nfs/dbraw/zinc/92/39/66/408923966.db2.gz NRELFRWPLABUED-NSHDSACASA-N 1 0 315.333 1.120 20 5 DDBDRO CCn1nc(C)c([N+](=O)[O-])c1N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000192577361 163228062 /nfs/dbraw/zinc/22/80/62/163228062.db2.gz QJCROVGMNTWRPV-NSHDSACASA-N 1 0 310.402 1.167 20 5 DDBDRO CCOCC[C@H](O)C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000277506159 408953419 /nfs/dbraw/zinc/95/34/19/408953419.db2.gz MVLROMHFJXVJME-INIZCTEOSA-N 1 0 323.393 1.504 20 5 DDBDRO Cc1cc(OCC(=O)NC[C@@H](C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000292241626 409008727 /nfs/dbraw/zinc/00/87/27/409008727.db2.gz DCQSEMLQYIKTII-LLVKDONJSA-N 1 0 309.366 1.596 20 5 DDBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000287309702 409017329 /nfs/dbraw/zinc/01/73/29/409017329.db2.gz UQXVOSVOEOHPIQ-FZMZJTMJSA-N 1 0 318.377 1.876 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCCC[N@@H+](C)CCN(C)C ZINC000293405267 409106185 /nfs/dbraw/zinc/10/61/85/409106185.db2.gz MVCCVHAURGXRHH-UHFFFAOYSA-N 1 0 322.409 1.517 20 5 DDBDRO CCCc1n[nH]c(C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC000289190800 409231299 /nfs/dbraw/zinc/23/12/99/409231299.db2.gz IXMHNZSEULSLSI-OAHLLOKOSA-N 1 0 321.381 1.486 20 5 DDBDRO Cc1cc(C(=O)N2CC[C@H]3OCCN(C)[C@H]3C2)cc([N+](=O)[O-])c1 ZINC000283966756 409248620 /nfs/dbraw/zinc/24/86/20/409248620.db2.gz GTPQJUROOYQHRS-LSDHHAIUSA-N 1 0 319.361 1.448 20 5 DDBDRO CC(C)(CCC(=O)NCC[N@@H+]1CCc2ccccc2C1)[N+](=O)[O-] ZINC000294186827 409256677 /nfs/dbraw/zinc/25/66/77/409256677.db2.gz AXCSYWULBQCGCA-UHFFFAOYSA-N 1 0 319.405 1.996 20 5 DDBDRO CC[NH+](CC)CCCNC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000283706279 409200333 /nfs/dbraw/zinc/20/03/33/409200333.db2.gz YAGQDQMDDPIBKM-UHFFFAOYSA-N 1 0 312.345 1.778 20 5 DDBDRO C[NH+](C)CCn1nccc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000294246925 409265796 /nfs/dbraw/zinc/26/57/96/409265796.db2.gz XTIYXEBJZFOJEO-UHFFFAOYSA-N 1 0 303.322 1.605 20 5 DDBDRO NC(=O)c1cc([N+](=O)[O-])cnc1NCC12CCC[NH+]1CCC2 ZINC000280655639 409395937 /nfs/dbraw/zinc/39/59/37/409395937.db2.gz ARFCKFVCLYECKX-UHFFFAOYSA-N 1 0 305.338 1.129 20 5 DDBDRO Nc1c(C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)cccc1[N+](=O)[O-] ZINC000290259054 409340065 /nfs/dbraw/zinc/34/00/65/409340065.db2.gz XIWQVOYPOBFNSN-GFCCVEGCSA-N 1 0 318.377 1.639 20 5 DDBDRO COC[C@]1(C(=O)OC)CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000296094260 409426768 /nfs/dbraw/zinc/42/67/68/409426768.db2.gz DEEQKEVEFOYANT-INIZCTEOSA-N 1 0 322.361 1.649 20 5 DDBDRO C[C@@H](CNc1nccc(C(N)=O)c1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000290628078 409465409 /nfs/dbraw/zinc/46/54/09/409465409.db2.gz MEFYJQORKRNZSD-NSHDSACASA-N 1 0 321.381 1.623 20 5 DDBDRO Cn1c(C(=O)N2CC[NH+](C3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000408013470 164198814 /nfs/dbraw/zinc/19/88/14/164198814.db2.gz DERNBDQMNFOGED-UHFFFAOYSA-N 1 0 306.366 1.634 20 5 DDBDRO COc1cc(C[NH2+]C[C@H]2COCCO2)c([N+](=O)[O-])cc1OC ZINC000337871692 409525233 /nfs/dbraw/zinc/52/52/33/409525233.db2.gz OALINUGKSADBIB-NSHDSACASA-N 1 0 312.322 1.117 20 5 DDBDRO CC1CC[NH+](C[C@@H](O)CNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000303981669 409554142 /nfs/dbraw/zinc/55/41/42/409554142.db2.gz GAOBLSSNNSOKOZ-HNNXBMFYSA-N 1 0 321.377 1.417 20 5 DDBDRO CSCC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)C ZINC000342308195 409573831 /nfs/dbraw/zinc/57/38/31/409573831.db2.gz NGCKIJICRQOLGJ-CYBMUJFWSA-N 1 0 311.407 1.894 20 5 DDBDRO CC(C)C[C@@H]1CCC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000305052865 409661895 /nfs/dbraw/zinc/66/18/95/409661895.db2.gz NHUSBRMWLRWMLF-DZGCQCFKSA-N 1 0 310.398 1.910 20 5 DDBDRO C[C@@H]1[C@H](C)N(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000357041242 409809688 /nfs/dbraw/zinc/80/96/88/409809688.db2.gz QMAHKHJNKVKHEN-MNOVXSKESA-N 1 0 306.366 1.218 20 5 DDBDRO CCC[C@@H]1CN(c2ccc([N+](=O)[O-])nc2)CC[N@@H+]1CCOC ZINC000346650304 410058952 /nfs/dbraw/zinc/05/89/52/410058952.db2.gz GLWCVTISFIXVIT-CQSZACIVSA-N 1 0 308.382 1.927 20 5 DDBDRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000346724331 410114237 /nfs/dbraw/zinc/11/42/37/410114237.db2.gz WVXJNDRSAOZBEB-NSHDSACASA-N 1 0 311.338 1.371 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[N@H+](C)[C@H](C(C)C)C2)n1 ZINC000343224018 410248970 /nfs/dbraw/zinc/24/89/70/410248970.db2.gz IDWNFSHMZGGLDR-ZDUSSCGKSA-N 1 0 322.365 1.553 20 5 DDBDRO CN1CC[C@](O)(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000358254181 410419069 /nfs/dbraw/zinc/41/90/69/410419069.db2.gz PDAYITXRDGJESZ-WBVHZDCISA-N 1 0 319.405 1.572 20 5 DDBDRO C[NH+]1CCN(CCNc2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000298711105 410358798 /nfs/dbraw/zinc/35/87/98/410358798.db2.gz KNLRNEPQSBMRHT-UHFFFAOYSA-N 1 0 315.377 1.802 20 5 DDBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCc1ncn(C)n1 ZINC000358372472 410458168 /nfs/dbraw/zinc/45/81/68/410458168.db2.gz BBTCLGGBFGWGCH-LBPRGKRZSA-N 1 0 303.366 1.877 20 5 DDBDRO Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000299208603 410568387 /nfs/dbraw/zinc/56/83/87/410568387.db2.gz ASLHVPPNPNNHBI-NSHDSACASA-N 1 0 313.379 1.276 20 5 DDBDRO CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000343568386 410539179 /nfs/dbraw/zinc/53/91/79/410539179.db2.gz KRGJYNYPXXAZLV-LLVKDONJSA-N 1 0 306.366 1.781 20 5 DDBDRO CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000343580958 410549879 /nfs/dbraw/zinc/54/98/79/410549879.db2.gz XYYLRHIMFQBWQE-LLVKDONJSA-N 1 0 324.356 1.920 20 5 DDBDRO COC(=O)[C@@H]1CCCC[C@@]1(C)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000343668655 410606363 /nfs/dbraw/zinc/60/63/63/410606363.db2.gz ONPCRWDZCPUQBO-GXTWGEPZSA-N 1 0 310.354 1.503 20 5 DDBDRO CCOc1cc(N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)ccc1[N+](=O)[O-] ZINC000579935190 422858994 /nfs/dbraw/zinc/85/89/94/422858994.db2.gz PYMQBFCQTDSNTL-LSDHHAIUSA-N 1 0 321.377 1.903 20 5 DDBDRO C[C@@]1(C(N)=O)CC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000355678133 410637047 /nfs/dbraw/zinc/63/70/47/410637047.db2.gz ICMIHNDPEXSMJP-OAHLLOKOSA-N 1 0 321.333 1.159 20 5 DDBDRO CN(C(=O)c1cccc([N+](=O)[O-])c1N)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000355875730 410713257 /nfs/dbraw/zinc/71/32/57/410713257.db2.gz CVXUDNPZHOULKZ-NSHDSACASA-N 1 0 304.350 1.486 20 5 DDBDRO Cc1nn(C)c(N2CC[C@@H](C[NH+]3CCCCC3)C2)c1[N+](=O)[O-] ZINC000301419718 410717397 /nfs/dbraw/zinc/71/73/97/410717397.db2.gz BRMIWNYJHWFBCQ-ZDUSSCGKSA-N 1 0 307.398 1.949 20 5 DDBDRO Cc1nn(C)c(NCCN2CCC([NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000301507463 410733394 /nfs/dbraw/zinc/73/33/94/410733394.db2.gz BZBSYANQOWVCFY-UHFFFAOYSA-N 1 0 310.402 1.075 20 5 DDBDRO C[C@H]1[C@@H](NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CCC[N@@H+]1C ZINC000355924338 410736805 /nfs/dbraw/zinc/73/68/05/410736805.db2.gz ZBDOFTHHXBSYOZ-CABZTGNLSA-N 1 0 317.349 1.684 20 5 DDBDRO CC[N@@H+]1CCCC[C@H]1CNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000301234098 410681770 /nfs/dbraw/zinc/68/17/70/410681770.db2.gz GUXYDRWVNZPVHD-JTQLQIEISA-N 1 0 307.354 1.375 20 5 DDBDRO C[NH+](C)C1CN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC000359643195 410788763 /nfs/dbraw/zinc/78/87/63/410788763.db2.gz ZHSSGSHPEWTJRO-UHFFFAOYSA-N 1 0 315.276 1.582 20 5 DDBDRO C[C@@H]1[C@@H](NC(=O)NCCc2cccc([N+](=O)[O-])c2)CCC[N@@H+]1C ZINC000343914969 410804956 /nfs/dbraw/zinc/80/49/56/410804956.db2.gz WJUIARQZKPMYLV-DOMZBBRYSA-N 1 0 320.393 1.919 20 5 DDBDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CCn3cc([N+](=O)[O-])cn3)[C@H]2C1 ZINC000344031152 410909858 /nfs/dbraw/zinc/90/98/58/410909858.db2.gz CMILMANXQZXGGA-QEJZJMRPSA-N 1 0 321.381 1.028 20 5 DDBDRO C[C@@H]1C[C@@H](CO)CC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000344117210 410966143 /nfs/dbraw/zinc/96/61/43/410966143.db2.gz BLLUILYXXDOUDF-VNHYZAJKSA-N 1 0 324.377 1.427 20 5 DDBDRO COc1cccc(C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000331430495 411087456 /nfs/dbraw/zinc/08/74/56/411087456.db2.gz CDGQKCSYECETFG-GWCFXTLKSA-N 1 0 319.361 1.816 20 5 DDBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000356649967 411117083 /nfs/dbraw/zinc/11/70/83/411117083.db2.gz QVECLKRYNHQMAN-JTQLQIEISA-N 1 0 310.354 1.546 20 5 DDBDRO C[C@@H]1CC[N@H+](C)CCN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000353765114 411125391 /nfs/dbraw/zinc/12/53/91/411125391.db2.gz GIJMQPCQSQUTCD-SNVBAGLBSA-N 1 0 317.349 1.637 20 5 DDBDRO C[C@H](C[NH3+])NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000415699977 224704017 /nfs/dbraw/zinc/70/40/17/224704017.db2.gz KWWLQUDPWCERBI-ZCFIWIBFSA-N 1 0 317.143 1.826 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000417181343 225235446 /nfs/dbraw/zinc/23/54/46/225235446.db2.gz OAAVTJGMRLIWGC-MFKMUULPSA-N 1 0 322.365 1.401 20 5 DDBDRO C[C@H](NC(=O)N[C@H]1C[NH2+]CC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000417143167 225223237 /nfs/dbraw/zinc/22/32/37/225223237.db2.gz UNBFPXQGSBSJLK-MJVIPROJSA-N 1 0 306.366 1.953 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000417190314 225238063 /nfs/dbraw/zinc/23/80/63/225238063.db2.gz YAQSSQBZRNSYTM-ZWNOBZJWSA-N 1 0 322.365 1.401 20 5 DDBDRO [NH3+]CC1CCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000297307238 226983511 /nfs/dbraw/zinc/98/35/11/226983511.db2.gz VXIHCSYTACSOKH-UHFFFAOYSA-N 1 0 316.361 1.747 20 5 DDBDRO O=[N+]([O-])c1ccc(CCN2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000366514972 418483568 /nfs/dbraw/zinc/48/35/68/418483568.db2.gz LACOSYCDSUBFQE-INIZCTEOSA-N 1 0 305.378 1.544 20 5 DDBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])c(F)cc3N)C[C@@H]21 ZINC000374821231 418565307 /nfs/dbraw/zinc/56/53/07/418565307.db2.gz DYRXLKABHMWOTP-XPTSAGLGSA-N 1 0 322.340 1.482 20 5 DDBDRO C[C@H]1C[N@H+](C)C[C@@H]1c1nc(-c2ccc(N)c([N+](=O)[O-])c2)no1 ZINC000361027804 418568811 /nfs/dbraw/zinc/56/88/11/418568811.db2.gz ZUFJEMGAWFFTDD-WPRPVWTQSA-N 1 0 303.322 1.892 20 5 DDBDRO CN1CCC([N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000361035523 418571173 /nfs/dbraw/zinc/57/11/73/418571173.db2.gz NWHVANVFSOLSMD-LBPRGKRZSA-N 1 0 305.382 1.570 20 5 DDBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000366933671 418540624 /nfs/dbraw/zinc/54/06/24/418540624.db2.gz LVTLCOPWIYAVCY-WPRPVWTQSA-N 1 0 321.312 1.243 20 5 DDBDRO C[N@@H+]1CCCC12CCN(C(=O)CCn1cc([N+](=O)[O-])cn1)CC2 ZINC000374892426 418574487 /nfs/dbraw/zinc/57/44/87/418574487.db2.gz HVMUGERGGRYLGX-UHFFFAOYSA-N 1 0 321.381 1.268 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000374627935 418549082 /nfs/dbraw/zinc/54/90/82/418549082.db2.gz YBFBSEXJQXEBDT-RWMBFGLXSA-N 1 0 321.381 1.076 20 5 DDBDRO Cn1nccc1CC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000374775627 418561264 /nfs/dbraw/zinc/56/12/64/418561264.db2.gz KCMZCFMCZZMXEI-UHFFFAOYSA-N 1 0 304.354 1.404 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)NCCC[N@@H+]2CCCC[C@H]2C)n1 ZINC000191758256 222108593 /nfs/dbraw/zinc/10/85/93/222108593.db2.gz XMAHFNPZSNKWDS-GFCCVEGCSA-N 1 0 323.397 1.806 20 5 DDBDRO COc1cccc(C(=O)NCCC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000193888946 222165885 /nfs/dbraw/zinc/16/58/85/222165885.db2.gz RLQSEDPBHIKYRL-UHFFFAOYSA-N 1 0 307.350 1.819 20 5 DDBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)NCc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000375025229 418589772 /nfs/dbraw/zinc/58/97/72/418589772.db2.gz YNFVPYGAQJSDTH-ZFWWWQNUSA-N 1 0 318.377 1.830 20 5 DDBDRO C[N@@H+]1CC[C@H]2CCN(CC(=O)Nc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000375031285 418592387 /nfs/dbraw/zinc/59/23/87/418592387.db2.gz NPCGQTGCLAWNHP-SWLSCSKDSA-N 1 0 318.377 1.559 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCC(=O)N[C@@H]1C1CC1 ZINC000367461501 418601601 /nfs/dbraw/zinc/60/16/01/418601601.db2.gz AGFZYXPUTXMSJT-XJKSGUPXSA-N 1 0 319.361 1.750 20 5 DDBDRO COCC[N@H+](C)CCCNc1ncnc2cccc([N+](=O)[O-])c21 ZINC000347436680 418638995 /nfs/dbraw/zinc/63/89/95/418638995.db2.gz UBTODSNSMPCFQQ-UHFFFAOYSA-N 1 0 319.365 1.918 20 5 DDBDRO Cc1nc(CN(C)[C@H]2CCN(c3ccccc3[N+](=O)[O-])C2)no1 ZINC000361780988 418710134 /nfs/dbraw/zinc/71/01/34/418710134.db2.gz BEIUZUZIHPTPLC-LBPRGKRZSA-N 1 0 317.349 1.997 20 5 DDBDRO CCC[N@H+](CC)C[C@H](C)Nc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000357772220 418651995 /nfs/dbraw/zinc/65/19/95/418651995.db2.gz AFSTYQCYLFNDKH-NSHDSACASA-N 1 0 306.370 2.170 20 5 DDBDRO Cn1c(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000361707608 418700107 /nfs/dbraw/zinc/70/01/07/418700107.db2.gz WMAVSOZLDNEYQR-NEPJUHHUSA-N 1 0 306.366 1.490 20 5 DDBDRO C[C@@H]([NH3+])[C@H](C)NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000381420340 418728728 /nfs/dbraw/zinc/72/87/28/418728728.db2.gz AIODSEAQKAZPII-RQJHMYQMSA-N 1 0 316.155 1.823 20 5 DDBDRO C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@H](C)[NH3+] ZINC000381423076 418729340 /nfs/dbraw/zinc/72/93/40/418729340.db2.gz AXZWTPMDMQYXBR-NKWVEPMBSA-N 1 0 307.759 1.262 20 5 DDBDRO Cc1nc(NC[C@H]2CCC[C@@H]2[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000370531767 418745716 /nfs/dbraw/zinc/74/57/16/418745716.db2.gz UBFQIKDQPLPVMJ-HIFRSBDPSA-N 1 0 320.393 2.211 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000371544169 418799553 /nfs/dbraw/zinc/79/95/53/418799553.db2.gz DPLVYQAWWQXUDN-HIFRSBDPSA-N 1 0 303.362 1.690 20 5 DDBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N1CCC2(CC[NH2+]2)CC1 ZINC000424051039 228222900 /nfs/dbraw/zinc/22/29/00/228222900.db2.gz HKEHOWAIXGWFQZ-UHFFFAOYSA-N 1 0 318.377 1.751 20 5 DDBDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000417951999 419415773 /nfs/dbraw/zinc/41/57/73/419415773.db2.gz XPXCGCZOJNRECS-BXUZGUMPSA-N 1 0 306.366 1.435 20 5 DDBDRO CC[C@@H]1C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H](CC)O1 ZINC000420960102 419384739 /nfs/dbraw/zinc/38/47/39/419384739.db2.gz RCCAWLUXPIEGAV-MCIONIFRSA-N 1 0 312.370 1.042 20 5 DDBDRO COC(=O)[C@@H]1CN(Cc2ccccc2[N+](=O)[O-])CC[N@H+](C)C1 ZINC000411902312 419459383 /nfs/dbraw/zinc/45/93/83/419459383.db2.gz HWZDNIBMBYZMPH-ZDUSSCGKSA-N 1 0 307.350 1.131 20 5 DDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCc3nnnn3CC2)c(Cl)c1 ZINC000421393848 419596070 /nfs/dbraw/zinc/59/60/70/419596070.db2.gz FEEOCXSAEDCMCB-JTQLQIEISA-N 1 0 322.756 1.729 20 5 DDBDRO COc1ccc(C[NH2+][C@@H]2CCc3nnnn3CC2)cc1[N+](=O)[O-] ZINC000421394670 419597348 /nfs/dbraw/zinc/59/73/48/419597348.db2.gz GYQQXQHGWRXKKT-LLVKDONJSA-N 1 0 318.337 1.085 20 5 DDBDRO COC(=O)[C@@]1(C)CCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000412065337 419613627 /nfs/dbraw/zinc/61/36/27/419613627.db2.gz KRBCHJIJZFHECA-HNNXBMFYSA-N 1 0 323.349 1.032 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)n1 ZINC000427594976 419689422 /nfs/dbraw/zinc/68/94/22/419689422.db2.gz BSFTXJJTWJRXHB-LLVKDONJSA-N 1 0 307.354 1.120 20 5 DDBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC1CC[NH2+]CC1 ZINC000418303096 419690634 /nfs/dbraw/zinc/69/06/34/419690634.db2.gz CISKBKCRZYGQRF-UHFFFAOYSA-N 1 0 306.366 1.531 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N(C)[C@@H]1C[NH+]2CCC1CC2 ZINC000427855509 419754902 /nfs/dbraw/zinc/75/49/02/419754902.db2.gz CWXDWOYRCOPGIZ-CQSZACIVSA-N 1 0 319.361 1.770 20 5 DDBDRO COCC[C@]1(C(=O)N(C)Cc2ccccc2[N+](=O)[O-])CC[NH2+]C1 ZINC000429680412 228836388 /nfs/dbraw/zinc/83/63/88/228836388.db2.gz IERQVKFSPBAQOF-MRXNPFEDSA-N 1 0 321.377 1.569 20 5 DDBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000428042015 419800695 /nfs/dbraw/zinc/80/06/95/419800695.db2.gz KKNTVZBNEQBNJN-AGIUHOORSA-N 1 0 318.377 1.606 20 5 DDBDRO O=[N+]([O-])c1cccc(-c2ccc(CNC[C@H]3C[NH2+]CCO3)o2)c1 ZINC000415095711 419940986 /nfs/dbraw/zinc/94/09/86/419940986.db2.gz NTDHKMWCJDVLEJ-OAHLLOKOSA-N 1 0 317.345 1.933 20 5 DDBDRO COC(=O)c1cc(NC(=O)N2CC[NH2+]CC2)c(C)c([N+](=O)[O-])c1 ZINC000415593654 420121260 /nfs/dbraw/zinc/12/12/60/420121260.db2.gz FFCFGQDJPPKYKN-UHFFFAOYSA-N 1 0 322.321 1.127 20 5 DDBDRO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000415634509 420131643 /nfs/dbraw/zinc/13/16/43/420131643.db2.gz SLIZUOFTZOTMRK-ZJUUUORDSA-N 1 0 308.313 1.807 20 5 DDBDRO O=C(C[C@@H]1C[NH2+]CCO1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000423720905 420140959 /nfs/dbraw/zinc/14/09/59/420140959.db2.gz IBPJOKSPLIPDPP-OAHLLOKOSA-N 1 0 319.361 1.464 20 5 DDBDRO COc1ccc(NC(=O)N2CC[C@H]([NH3+])[C@H](C)C2)cc1[N+](=O)[O-] ZINC000415450003 420071978 /nfs/dbraw/zinc/07/19/78/420071978.db2.gz WCDYBGDKAOUZPZ-KOLCDFICSA-N 1 0 308.338 1.804 20 5 DDBDRO C[C@@H]1C[NH2+]C[C@H](C)N1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000420299633 420191999 /nfs/dbraw/zinc/19/19/99/420191999.db2.gz BDFWDYPCFVZFIB-TXEJJXNPSA-N 1 0 306.366 1.606 20 5 DDBDRO COc1ccc(NC(=O)[C@@H](C)N2CCC([NH3+])CC2)c([N+](=O)[O-])c1 ZINC000430588907 420147928 /nfs/dbraw/zinc/14/79/28/420147928.db2.gz BBMRCKUDAJYYDS-SNVBAGLBSA-N 1 0 322.365 1.354 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000430699392 420180209 /nfs/dbraw/zinc/18/02/09/420180209.db2.gz POIAMCRCNRXSON-CYBMUJFWSA-N 1 0 306.366 1.806 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000420372209 420243501 /nfs/dbraw/zinc/24/35/01/420243501.db2.gz QBHAIWNDZHDBMG-KNHMANMVSA-N 1 0 320.393 1.818 20 5 DDBDRO C[C@H]1CCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@H]1C[NH3+] ZINC000420397032 420262193 /nfs/dbraw/zinc/26/21/93/420262193.db2.gz FXASONVOJHFQDO-QWHCGFSZSA-N 1 0 320.393 1.474 20 5 DDBDRO Cc1c(NC(=O)CCN2C[C@H](C)[NH2+]C[C@H]2C)cccc1[N+](=O)[O-] ZINC000420404731 420265098 /nfs/dbraw/zinc/26/50/98/420265098.db2.gz SKEQMWILFOMICU-NWDGAFQWSA-N 1 0 320.393 1.914 20 5 DDBDRO COc1cc(OCC(=O)N(C)[C@@H](C[NH3+])C2CC2)ccc1[N+](=O)[O-] ZINC000423942664 420276619 /nfs/dbraw/zinc/27/66/19/420276619.db2.gz FHZKPUUKHQVZKX-ZDUSSCGKSA-N 1 0 323.349 1.178 20 5 DDBDRO COc1cc(C(=O)NCC2([NH+](C)C)CC2)c([N+](=O)[O-])cc1OC ZINC000416294177 420309997 /nfs/dbraw/zinc/30/99/97/420309997.db2.gz XRAWTJBTSQPRCU-UHFFFAOYSA-N 1 0 323.349 1.436 20 5 DDBDRO CS[C@@H]1CN(c2c(C(N)=O)cccc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000420598117 420326403 /nfs/dbraw/zinc/32/64/03/420326403.db2.gz BOWADWBAMBMFQR-NWDGAFQWSA-N 1 0 324.406 1.176 20 5 DDBDRO C[C@H](CCC[NH3+])NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000420450087 420295173 /nfs/dbraw/zinc/29/51/73/420295173.db2.gz YETHDAHOAQGJFB-LLVKDONJSA-N 1 0 315.395 1.184 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[NH2+][C@H](C)[C@H]1C ZINC000436059029 420304469 /nfs/dbraw/zinc/30/44/69/420304469.db2.gz JUSSJGLNJLAWOE-GHMZBOCLSA-N 1 0 322.365 1.224 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC[C@@H](C)C[NH3+] ZINC000447254088 230352076 /nfs/dbraw/zinc/35/20/76/230352076.db2.gz FHOVEPRWKXGGKF-QMMMGPOBSA-N 1 0 301.368 1.085 20 5 DDBDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000417765916 420472951 /nfs/dbraw/zinc/47/29/51/420472951.db2.gz OSXISQVDUIRSMO-YPMHNXCESA-N 1 0 306.366 1.516 20 5 DDBDRO [NH3+][C@H]1CCC[C@@H](NC(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000417774547 420474978 /nfs/dbraw/zinc/47/49/78/420474978.db2.gz ZJBQHIRKLAUZQP-QWHCGFSZSA-N 1 0 306.366 1.706 20 5 DDBDRO CC[NH+]1CCN(CC(C)(C)Nc2ccc([N+](=O)[O-])nc2)CC1 ZINC000450920814 420562022 /nfs/dbraw/zinc/56/20/22/420562022.db2.gz BDUHJCGZBGGUOI-UHFFFAOYSA-N 1 0 307.398 1.818 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC[C@H](C)[NH+](C)C)c1C ZINC000451933349 420616957 /nfs/dbraw/zinc/61/69/57/420616957.db2.gz PZCSQORIEGEECQ-JTQLQIEISA-N 1 0 315.395 1.440 20 5 DDBDRO C[C@H]1C[N@H+](CCO)CCN1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000452121881 420621819 /nfs/dbraw/zinc/62/18/19/420621819.db2.gz GZWMJFQRBIJJHY-NSHDSACASA-N 1 0 313.785 1.747 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@@H](C[NH3+])C[C@H]1C ZINC000442765076 420711534 /nfs/dbraw/zinc/71/15/34/420711534.db2.gz IVBCOTSUQSJOCM-GHMZBOCLSA-N 1 0 322.365 1.211 20 5 DDBDRO COC[C@H](O)CC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447576244 420782394 /nfs/dbraw/zinc/78/23/94/420782394.db2.gz XJLOQSDHBUEQRS-JHJVBQTASA-N 1 0 312.370 1.262 20 5 DDBDRO C[C@H]([NH2+][C@H](CO)[C@H]1CCCO1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000447912277 420816095 /nfs/dbraw/zinc/81/60/95/420816095.db2.gz JSMLNMWIQIEPIU-ZLKJLUDKSA-N 1 0 323.349 1.051 20 5 DDBDRO O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000493677387 420912811 /nfs/dbraw/zinc/91/28/11/420912811.db2.gz UNGKMRIQCAMURI-LDVDSAPTSA-N 1 0 319.336 1.958 20 5 DDBDRO C[C@@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccn(C)n1 ZINC000459791211 420873872 /nfs/dbraw/zinc/87/38/72/420873872.db2.gz STUBKZDVMUGCNV-DGCLKSJQSA-N 1 0 320.349 1.419 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(C(N)=O)nc1 ZINC000449194369 420967690 /nfs/dbraw/zinc/96/76/90/420967690.db2.gz XTKIQQNTZJUYDF-LLVKDONJSA-N 1 0 314.345 1.810 20 5 DDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])NCc1nc(N(C)C)no1 ZINC000449257989 420977939 /nfs/dbraw/zinc/97/79/39/420977939.db2.gz NYQXMQCTRHNPIV-JTQLQIEISA-N 1 0 305.338 1.765 20 5 DDBDRO CC(C)(C(=O)NC[C@H]1CCC[C@@H]([NH3+])C1)n1cc([N+](=O)[O-])cn1 ZINC000449647044 421044723 /nfs/dbraw/zinc/04/47/23/421044723.db2.gz OXQHRPMHOKDYRD-WDEREUQCSA-N 1 0 309.370 1.160 20 5 DDBDRO Cc1sc(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)cc1[N+](=O)[O-] ZINC000449667475 421054987 /nfs/dbraw/zinc/05/49/87/421054987.db2.gz UWTGWICQFLFUCJ-SECBINFHSA-N 1 0 305.306 1.692 20 5 DDBDRO COc1ccc(C[NH2+]C[C@H]2CCCN2CCCO)cc1[N+](=O)[O-] ZINC000449390792 421004569 /nfs/dbraw/zinc/00/45/69/421004569.db2.gz WVPKZKXSNPGFHO-CQSZACIVSA-N 1 0 323.393 1.540 20 5 DDBDRO COc1ccc(C[NH2+]C[C@@H]2CCOC[C@@H]2OC)cc1[N+](=O)[O-] ZINC000449457395 421015616 /nfs/dbraw/zinc/01/56/16/421015616.db2.gz NOMALOMINLZZGT-WFASDCNBSA-N 1 0 310.350 1.745 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1CN1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000449539488 421023222 /nfs/dbraw/zinc/02/32/22/421023222.db2.gz WACIFKDMKGMLBY-OKILXGFUSA-N 1 0 307.394 1.790 20 5 DDBDRO CNc1nc(C(=O)NCC[N@H+]2CC=CCC2)ccc1[N+](=O)[O-] ZINC000456022154 421089464 /nfs/dbraw/zinc/08/94/64/421089464.db2.gz IJTMQAAHKVEOEH-UHFFFAOYSA-N 1 0 305.338 1.023 20 5 DDBDRO Cc1cc(F)ccc1C[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000488014530 421064166 /nfs/dbraw/zinc/06/41/66/421064166.db2.gz ZBEDDJMRCWEWRA-OAHLLOKOSA-N 1 0 322.340 1.732 20 5 DDBDRO COc1cc(C(=O)N[C@H]2CC[C@H](C[NH3+])C2)cc([N+](=O)[O-])c1OC ZINC000449729433 421070237 /nfs/dbraw/zinc/07/02/37/421070237.db2.gz ZOMLVHLBEORUKX-ONGXEEELSA-N 1 0 323.349 1.469 20 5 DDBDRO CC1(C)[NH2+]CC[C@H]1NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000449750423 421074895 /nfs/dbraw/zinc/07/48/95/421074895.db2.gz ULTIEFSFAZIOBS-CYBMUJFWSA-N 1 0 306.366 1.654 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])c(NC[C@@H]2CCCC[N@@H+]2CCO)n1 ZINC000450609719 421217674 /nfs/dbraw/zinc/21/76/74/421217674.db2.gz FZSZMAYFWBSXJI-ZDUSSCGKSA-N 1 0 308.382 1.865 20 5 DDBDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)NCc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000562351222 421355480 /nfs/dbraw/zinc/35/54/80/421355480.db2.gz SBNFYAHJSSFMEV-MRXNPFEDSA-N 1 0 318.377 1.832 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCS(=O)(=O)N(C)C ZINC000515925423 421522940 /nfs/dbraw/zinc/52/29/40/421522940.db2.gz VBRUIJANBLVJMJ-LLVKDONJSA-N 1 0 315.395 1.445 20 5 DDBDRO COc1cc(C[NH2+]C[C@H](C)Cn2cccn2)c([N+](=O)[O-])cc1O ZINC000548912132 421485123 /nfs/dbraw/zinc/48/51/23/421485123.db2.gz DWGSAFVSVXESED-NSHDSACASA-N 1 0 320.349 1.931 20 5 DDBDRO C[NH+](C)[C@H](CNC(=O)c1c[nH]nc1[N+](=O)[O-])c1ccsc1 ZINC000549159296 421496757 /nfs/dbraw/zinc/49/67/57/421496757.db2.gz FRZUUAJVVOEIPY-SNVBAGLBSA-N 1 0 309.351 1.412 20 5 DDBDRO C[C@H](NC(=O)c1c[nH]nc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000549189196 421496849 /nfs/dbraw/zinc/49/68/49/421496849.db2.gz BEUGNSLVFWJYBU-WDEREUQCSA-N 1 0 321.381 1.701 20 5 DDBDRO CNc1nccc(C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000563896101 421554141 /nfs/dbraw/zinc/55/41/41/421554141.db2.gz CQXBWEIAWSCVFF-MNOVXSKESA-N 1 0 321.381 1.634 20 5 DDBDRO CO[C@@H](C)[C@@H](C)[NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000564092646 421569453 /nfs/dbraw/zinc/56/94/53/421569453.db2.gz DUVLAODOPVRKNJ-SUNKGSAMSA-N 1 0 307.350 1.713 20 5 DDBDRO O=[N+]([O-])c1cccc2ncnc(NC[C@@H]3CC[N@@H+](C4CC4)C3)c21 ZINC000566530358 421607099 /nfs/dbraw/zinc/60/70/99/421607099.db2.gz PRMPWZMAXKUPMJ-NSHDSACASA-N 1 0 313.361 2.434 20 5 DDBDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000571268788 421702006 /nfs/dbraw/zinc/70/20/06/421702006.db2.gz UXZUGZNIEPLWGM-SNVBAGLBSA-N 1 0 308.338 1.156 20 5 DDBDRO NC(=O)c1ccc(C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000571281470 421702542 /nfs/dbraw/zinc/70/25/42/421702542.db2.gz ZKUYRDAOHXXDFU-OCCSQVGLSA-N 1 0 305.334 1.305 20 5 DDBDRO Cc1c([C@@H](C)[NH2+]C[C@H](C)S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000539047348 421746109 /nfs/dbraw/zinc/74/61/09/421746109.db2.gz PEFNNEURXLFUEA-GXSJLCMTSA-N 1 0 300.380 1.987 20 5 DDBDRO CC(C)C[C@H]([NH3+])CN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000556926219 421751960 /nfs/dbraw/zinc/75/19/60/421751960.db2.gz OIWISTAQGVSVCH-ZDUSSCGKSA-N 1 0 307.398 1.485 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@H](CO)CC1CCC1 ZINC000571920810 421752598 /nfs/dbraw/zinc/75/25/98/421752598.db2.gz JCYPWWDPHKMGNS-KBPBESRZSA-N 1 0 324.377 1.475 20 5 DDBDRO CC[C@H](O)[C@H](CC)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000522001724 421810981 /nfs/dbraw/zinc/81/09/81/421810981.db2.gz KNKAMRPCNVNHOK-OBJOEFQTSA-N 1 0 312.366 1.474 20 5 DDBDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC000558764592 421824828 /nfs/dbraw/zinc/82/48/28/421824828.db2.gz HMHBATUQMGNQQK-NSHDSACASA-N 1 0 309.370 1.416 20 5 DDBDRO C[NH+](C)CC(C)(C)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000572121086 421764858 /nfs/dbraw/zinc/76/48/58/421764858.db2.gz FMGIYBLKKNYABN-UHFFFAOYSA-N 1 0 309.322 1.394 20 5 DDBDRO C[C@H]1CC[N@H+](CC(=O)NCCNc2ccccc2[N+](=O)[O-])C1 ZINC000557418464 421770303 /nfs/dbraw/zinc/77/03/03/421770303.db2.gz CSFQOPXABYETIL-LBPRGKRZSA-N 1 0 306.366 1.465 20 5 DDBDRO CC[C@@H]1C[N@H+](C)CCN1C(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000521300912 421781181 /nfs/dbraw/zinc/78/11/81/421781181.db2.gz GKEIASKKCOPTKE-CQSZACIVSA-N 1 0 305.378 1.998 20 5 DDBDRO [NH3+]C[C@@H](NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)C1CCCC1 ZINC000521424243 421786638 /nfs/dbraw/zinc/78/66/38/421786638.db2.gz FSKPUQVSZIBSED-LLVKDONJSA-N 1 0 321.333 1.571 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1CN(CC[NH+](C)C)Cc1ccccn1 ZINC000572778303 421858671 /nfs/dbraw/zinc/85/86/71/421858671.db2.gz DOHIALJPXFYIKV-UHFFFAOYSA-N 1 0 318.381 1.287 20 5 DDBDRO Cc1cc(NC[C@@H](C)N2C[C@@H](C)O[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000594590792 422352376 /nfs/dbraw/zinc/35/23/76/422352376.db2.gz BUVDTJWJZDQZEN-UPJWGTAASA-N 1 0 308.382 2.208 20 5 DDBDRO CCc1ccc(C(=O)Nc2nn(C)c(C)c2C[NH3+])cc1[N+](=O)[O-] ZINC000595959045 422359952 /nfs/dbraw/zinc/35/99/52/422359952.db2.gz LUMZSSZKYXJOQA-UHFFFAOYSA-N 1 0 317.349 1.910 20 5 DDBDRO C[NH+](C)[C@H](CNc1ccc(N)c([N+](=O)[O-])n1)Cc1ccccc1 ZINC000596056082 422362935 /nfs/dbraw/zinc/36/29/35/422362935.db2.gz WOQBBQAMKSONMS-ZDUSSCGKSA-N 1 0 315.377 2.157 20 5 DDBDRO C[NH+](C)[C@@H](CNc1ccc(N)c([N+](=O)[O-])n1)c1cccs1 ZINC000590568665 422321189 /nfs/dbraw/zinc/32/11/89/422321189.db2.gz KGWAGBJMZJVXHY-JTQLQIEISA-N 1 0 307.379 2.348 20 5 DDBDRO Cc1cc([N+](=O)[O-])cnc1NCCCN1CCC[N@@H+](C)CC1 ZINC000611296599 422474726 /nfs/dbraw/zinc/47/47/26/422474726.db2.gz CPZJRNRIHOKTAP-UHFFFAOYSA-N 1 0 307.398 1.738 20 5 DDBDRO CC[NH2+]CCCNS(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000036299359 263253900 /nfs/dbraw/zinc/25/39/00/263253900.db2.gz WRCGZSXVTFORJJ-UHFFFAOYSA-N 1 0 301.368 1.181 20 5 DDBDRO COC1(C)CC[NH+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000342127775 271308616 /nfs/dbraw/zinc/30/86/16/271308616.db2.gz AKROPIOVPPFCNS-AWEZNQCLSA-N 1 0 324.377 1.835 20 5 DDBDRO C[C@H]1[C@@H](NC(=O)CNc2ccccc2[N+](=O)[O-])CCC[N@@H+]1C ZINC000345328975 272220871 /nfs/dbraw/zinc/22/08/71/272220871.db2.gz VEJKXJXFHXAEQJ-RYUDHWBXSA-N 1 0 306.366 1.606 20 5 DDBDRO CC[N@@H+]1CCC[C@H](CNC(=O)c2c([N+](=O)[O-])c(C)nn2C)C1 ZINC000345593300 272287578 /nfs/dbraw/zinc/28/75/78/272287578.db2.gz MWJZELKJMAVLQA-LLVKDONJSA-N 1 0 309.370 1.098 20 5 DDBDRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000345938385 272370511 /nfs/dbraw/zinc/37/05/11/272370511.db2.gz WMMSORNREDMMFW-CHWSQXEVSA-N 1 0 320.393 1.996 20 5 DDBDRO Cc1ccc(NC(=O)Cn2cnc([N+](=O)[O-])n2)c(C[NH+](C)C)c1 ZINC000346788100 272546765 /nfs/dbraw/zinc/54/67/65/272546765.db2.gz NRTJHUWGNXCIMQ-UHFFFAOYSA-N 1 0 318.337 1.195 20 5 DDBDRO CS[C@H]1CN(c2ncc([N+](=O)[O-])cn2)C[C@H]1[NH+]1CCCC1 ZINC000275831711 274187575 /nfs/dbraw/zinc/18/75/75/274187575.db2.gz OFRMZEQPXRNZIC-NEPJUHHUSA-N 1 0 309.395 1.401 20 5 DDBDRO O=[N+]([O-])c1cccc2c1ccnc2N1CC[NH+](CCO)CC1 ZINC000450214322 275039583 /nfs/dbraw/zinc/03/95/83/275039583.db2.gz XZFOKNHMOFXEFZ-UHFFFAOYSA-N 1 0 302.334 1.257 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)c1[N+](=O)[O-] ZINC000272732963 276041344 /nfs/dbraw/zinc/04/13/44/276041344.db2.gz BYTNESJMNKSLBU-JTQLQIEISA-N 1 0 321.381 1.822 20 5 DDBDRO CCOC[C@H](O)C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447538289 276333407 /nfs/dbraw/zinc/33/34/07/276333407.db2.gz BJDJPHWZMKHFNL-UPJWGTAASA-N 1 0 312.370 1.262 20 5 DDBDRO CN1CCN(C)[C@H](C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000278851866 277103442 /nfs/dbraw/zinc/10/34/42/277103442.db2.gz VPMDHOSDTOTRMH-WBVHZDCISA-N 1 0 318.421 1.808 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[C@@H]([C@@H](C)O)C1 ZINC000120812643 281126069 /nfs/dbraw/zinc/12/60/69/281126069.db2.gz ABXCJOZIRJIFQU-CHWSQXEVSA-N 1 0 321.377 1.935 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000126192736 281229965 /nfs/dbraw/zinc/22/99/65/281229965.db2.gz IDYBZAXHVDHXGW-GFCCVEGCSA-N 1 0 323.397 1.480 20 5 DDBDRO CCNC(=O)CN(CC)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000126796866 281252650 /nfs/dbraw/zinc/25/26/50/281252650.db2.gz FSWFOEJXBZFFIR-LLVKDONJSA-N 1 0 322.365 1.380 20 5 DDBDRO C[NH+](C)C1(CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CCC1 ZINC000275537326 289058725 /nfs/dbraw/zinc/05/87/25/289058725.db2.gz YPSMHVMMOLASJS-UHFFFAOYSA-N 1 0 313.379 1.357 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000171030274 293607984 /nfs/dbraw/zinc/60/79/84/293607984.db2.gz ZENJJWSUNHJMIY-CYBMUJFWSA-N 1 0 318.377 1.999 20 5 DDBDRO CCC[NH+]1CCC(Nc2nccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000357323087 299007709 /nfs/dbraw/zinc/00/77/09/299007709.db2.gz FABKJOVLPQLVEQ-UHFFFAOYSA-N 1 0 307.354 1.375 20 5 DDBDRO C[C@H](CNC(=O)c1nn(C)cc1[N+](=O)[O-])[N@@H+]1CCCC[C@@H]1C ZINC000357965273 299034811 /nfs/dbraw/zinc/03/48/11/299034811.db2.gz QTTVCIBXTITYGH-WDEREUQCSA-N 1 0 309.370 1.321 20 5 DDBDRO C[C@H]([NH3+])c1ccc(CNC(=O)c2c([N+](=O)[O-])cnn2C)cc1 ZINC000574569390 304663807 /nfs/dbraw/zinc/66/38/07/304663807.db2.gz QUTSTHHMMOPKSC-VIFPVBQESA-N 1 0 303.322 1.278 20 5 DDBDRO C[C@@H](CO)[N@@H+]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000364210743 300358065 /nfs/dbraw/zinc/35/80/65/300358065.db2.gz FUQCMBKSISCLDA-LBPRGKRZSA-N 1 0 307.350 1.124 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@@]2(CCC[C@@H]2[NH3+])C1 ZINC000364265331 300364831 /nfs/dbraw/zinc/36/48/31/300364831.db2.gz ZZZACXGYOADSTL-WFASDCNBSA-N 1 0 321.381 1.220 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1CCc2ccccc2OC1 ZINC000368488545 301038681 /nfs/dbraw/zinc/03/86/81/301038681.db2.gz PVSXAJRSVSXKIB-LBPRGKRZSA-N 1 0 302.334 1.812 20 5 DDBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc(N)c([N+](=O)[O-])c3)C[C@@H]21 ZINC000368596589 301061562 /nfs/dbraw/zinc/06/15/62/301061562.db2.gz VMBVMCJIFIDKHT-HZMBPMFUSA-N 1 0 304.350 1.343 20 5 DDBDRO CC[C@@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)C[C@@]2(CCCOC2)O1 ZINC000369535743 301196006 /nfs/dbraw/zinc/19/60/06/301196006.db2.gz CDAZQCPDSRIJDA-UKRRQHHQSA-N 1 0 324.381 1.451 20 5 DDBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC[N@H+](CC(C)(C)O)CC1 ZINC000370421895 301335578 /nfs/dbraw/zinc/33/55/78/301335578.db2.gz PVFROLWNQOUUIQ-UHFFFAOYSA-N 1 0 308.382 1.581 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H](CCO)C(C)C ZINC000355061428 306792613 /nfs/dbraw/zinc/79/26/13/306792613.db2.gz VMYUIZYQAKKPCT-GFCCVEGCSA-N 1 0 309.366 1.838 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC(C)(C)CCC[NH3+] ZINC000313838979 302046928 /nfs/dbraw/zinc/04/69/28/302046928.db2.gz AFZOLFPLPPUFJR-UHFFFAOYSA-N 1 0 315.395 1.699 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000226461620 302048870 /nfs/dbraw/zinc/04/88/70/302048870.db2.gz HEJIPMJRZHKHKZ-LLVKDONJSA-N 1 0 313.379 1.324 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCCC3(CCOCC3)C2)c1 ZINC000376223751 302052045 /nfs/dbraw/zinc/05/20/45/302052045.db2.gz CEEJUERDDHHJCC-CQSZACIVSA-N 1 0 324.381 1.045 20 5 DDBDRO [NH3+]C[C@H]1CC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000420443065 302384907 /nfs/dbraw/zinc/38/49/07/302384907.db2.gz ABKCXAYLASLLTK-YUMQZZPRSA-N 1 0 305.381 1.062 20 5 DDBDRO Cn1nc([N+](=O)[O-])cc1C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000356219938 306844376 /nfs/dbraw/zinc/84/43/76/306844376.db2.gz PQIKBIQXWGSQQM-NSHDSACASA-N 1 0 311.386 1.425 20 5 DDBDRO CNc1ccc(C(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000519774084 302853899 /nfs/dbraw/zinc/85/38/99/302853899.db2.gz LZZFJMVXSARUJA-GXFFZTMASA-N 1 0 306.366 1.978 20 5 DDBDRO CC[NH+]1CCC(N(C)c2nccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000357297349 306874690 /nfs/dbraw/zinc/87/46/90/306874690.db2.gz GPIXYXUIRACVON-UHFFFAOYSA-N 1 0 307.354 1.009 20 5 DDBDRO COC[C@@](C)(O)C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000532221980 303279095 /nfs/dbraw/zinc/27/90/95/303279095.db2.gz KGMSIPXPFPNVAU-HOCLYGCPSA-N 1 0 308.378 1.903 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)Nc1ccccc1C[NH+](C)C ZINC000560378964 303809701 /nfs/dbraw/zinc/80/97/01/303809701.db2.gz BRIARGZYWHAFBK-UHFFFAOYSA-N 1 0 303.322 1.642 20 5 DDBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@H](O)COC2CCOCC2)c1 ZINC000562985680 303906312 /nfs/dbraw/zinc/90/63/12/303906312.db2.gz KDRQOFYLIBIMRW-AWEZNQCLSA-N 1 0 310.350 1.241 20 5 DDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000071397265 304804481 /nfs/dbraw/zinc/80/44/81/304804481.db2.gz VHOZPXHHIRVGHD-QMMMGPOBSA-N 1 0 319.770 1.279 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2[C@@H]3CC[C@H]2C[C@@H]([NH3+])C3)c1 ZINC000364594397 307048929 /nfs/dbraw/zinc/04/89/29/307048929.db2.gz VSBKQJHCLIDVMD-JGPRNRPPSA-N 1 0 305.334 1.698 20 5 DDBDRO Cn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)n1 ZINC000373164191 307180686 /nfs/dbraw/zinc/18/06/86/307180686.db2.gz DBUGOYITADFACY-JTQLQIEISA-N 1 0 307.354 1.075 20 5 DDBDRO C[C@@H]1C[C@@]2(CCO1)C[N@@H+](CCn1ccc([N+](=O)[O-])n1)C[C@@H](C)O2 ZINC000374013398 307199517 /nfs/dbraw/zinc/19/95/17/307199517.db2.gz HRJSDBHLFONXHR-NFAWXSAZSA-N 1 0 324.381 1.450 20 5 DDBDRO [NH2+]=C(NO)[C@H]1CCCCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000376084793 307237914 /nfs/dbraw/zinc/23/79/14/307237914.db2.gz QUGKJQIRZWOVHN-CYBMUJFWSA-N 1 0 308.338 1.784 20 5 DDBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCN1CCOCC1 ZINC000520472543 307458928 /nfs/dbraw/zinc/45/89/28/307458928.db2.gz QUPDWYPWKMVFNW-SDNWHVSQSA-N 1 0 305.378 1.920 20 5 DDBDRO CC1(C)CCC[NH2+][C@@H]1CNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000565480642 308032204 /nfs/dbraw/zinc/03/22/04/308032204.db2.gz RJQNXQKIIVEFHM-LLVKDONJSA-N 1 0 308.338 1.203 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000566231790 308050681 /nfs/dbraw/zinc/05/06/81/308050681.db2.gz UEMYMQTXUHJHKA-IPYPFGDCSA-N 1 0 324.377 1.475 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@@H]2CCc3ccccc32)c1 ZINC000576220010 308297795 /nfs/dbraw/zinc/29/77/95/308297795.db2.gz AFQGDVLSECLHPE-DZGCQCFKSA-N 1 0 316.361 1.472 20 5 DDBDRO CC1(C)[NH2+]CC[C@H]1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000581052533 308650191 /nfs/dbraw/zinc/65/01/91/308650191.db2.gz WVAUACMRXZKQQJ-GFCCVEGCSA-N 1 0 307.306 1.194 20 5 DDBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCC[NH2+]1 ZINC000583801623 337334791 /nfs/dbraw/zinc/33/47/91/337334791.db2.gz YKLUOIJMQVSTSD-NSHDSACASA-N 1 0 308.338 1.025 20 5 DDBDRO C[C@@H]1[C@@H](CO)CC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000488728934 484215327 /nfs/dbraw/zinc/21/53/27/484215327.db2.gz IVLIYSNHWQLVRT-YRGRVCCFSA-N 1 0 310.350 1.037 20 5 DDBDRO CC[NH+]1CCC(NC(=O)CN(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000361591119 484521205 /nfs/dbraw/zinc/52/12/05/484521205.db2.gz LODVMENWUNZBOZ-UHFFFAOYSA-N 1 0 320.393 1.632 20 5 DDBDRO COC(=O)c1ccc(OC[C@H](O)C[N@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000589583754 490359297 /nfs/dbraw/zinc/35/92/97/490359297.db2.gz UMPARBKBZQQRTN-LLVKDONJSA-N 1 0 324.333 1.215 20 5 DDBDRO CC1CC[NH+](CCNC(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000175990257 500582715 /nfs/dbraw/zinc/58/27/15/500582715.db2.gz PYQRQAXNLYAQBB-UHFFFAOYSA-N 1 0 306.366 1.639 20 5 DDBDRO COC(=O)Cc1ccc(NC[C@H]2CCC[N@@H+]2C)c([N+](=O)[O-])c1 ZINC000295641930 533764128 /nfs/dbraw/zinc/76/41/28/533764128.db2.gz YNCGQDDXNPYBKN-GFCCVEGCSA-N 1 0 307.350 1.816 20 5 DDBDRO COC(=O)Cc1ccc(NC2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000296662624 533761312 /nfs/dbraw/zinc/76/13/12/533761312.db2.gz YPIWWAIRRMQXCT-UHFFFAOYSA-N 1 0 307.350 1.816 20 5 DDBDRO Cc1c(CNC(=O)N[C@H]2CC[C@@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000418077383 533860624 /nfs/dbraw/zinc/86/06/24/533860624.db2.gz HSBJHESACZCXOJ-YPMHNXCESA-N 1 0 306.366 1.830 20 5 DDBDRO C[C@H](CCC[NH3+])NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000294694477 533867879 /nfs/dbraw/zinc/86/78/79/533867879.db2.gz AIPSGUOIUGRMOW-LLVKDONJSA-N 1 0 317.349 1.638 20 5 DDBDRO C[C@H]1CN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@@H]1[NH+](C)C ZINC000332060791 533952395 /nfs/dbraw/zinc/95/23/95/533952395.db2.gz PZCYNWJRVLFOST-NHYWBVRUSA-N 1 0 321.377 1.843 20 5 DDBDRO Cc1cc(C(=O)NC[C@@H]2CCCC[N@@H+]2CCO)ccc1[N+](=O)[O-] ZINC000452387917 534058071 /nfs/dbraw/zinc/05/80/71/534058071.db2.gz IGRRYVFBYPVOES-AWEZNQCLSA-N 1 0 321.377 1.480 20 5 DDBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000428042018 534298492 /nfs/dbraw/zinc/29/84/92/534298492.db2.gz KKNTVZBNEQBNJN-UPJWGTAASA-N 1 0 318.377 1.606 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000332631014 534340944 /nfs/dbraw/zinc/34/09/44/534340944.db2.gz DPJDROJSZVTDIR-NEPJUHHUSA-N 1 0 304.350 1.976 20 5 DDBDRO NC(=O)[C@H]1CCC[N@H+](CCCNc2sccc2[N+](=O)[O-])C1 ZINC000302005399 534449786 /nfs/dbraw/zinc/44/97/86/534449786.db2.gz UONNHDRLQGKZFB-JTQLQIEISA-N 1 0 312.395 1.656 20 5 DDBDRO O=[N+]([O-])c1cnc(NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)nc1 ZINC000302214020 534888761 /nfs/dbraw/zinc/88/87/61/534888761.db2.gz IDNXKWSMNMKUBX-UONOGXRCSA-N 1 0 321.381 1.565 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[N@@H+](CCO)Cc2cccc(F)c2)c1 ZINC000494231404 534889211 /nfs/dbraw/zinc/88/92/11/534889211.db2.gz ROCPWERZWOZSHN-UHFFFAOYSA-N 1 0 308.313 1.425 20 5 DDBDRO CC(C)(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000414519014 527047934 /nfs/dbraw/zinc/04/79/34/527047934.db2.gz SYMCFERVSBTHSF-UHFFFAOYSA-N 1 0 300.380 1.898 20 5 DDBDRO CCCN(C(=O)NCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[NH2+]C1 ZINC000417236824 527754432 /nfs/dbraw/zinc/75/44/32/527754432.db2.gz VDPDOCGVTHNPQM-OAHLLOKOSA-N 1 0 320.393 1.921 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)NCCNc2cc[nH+]cc2)c1[N+](=O)[O-] ZINC000433986292 527999668 /nfs/dbraw/zinc/99/96/68/527999668.db2.gz RUOQZWLXEAQTJF-UHFFFAOYSA-N 1 0 318.337 1.100 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H](C[NH3+])C2)c1 ZINC000297292471 528611216 /nfs/dbraw/zinc/61/12/16/528611216.db2.gz DDTHFJBSRWHZCN-LLVKDONJSA-N 1 0 307.350 1.804 20 5 DDBDRO CC(C)[C@@H]1CN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC[N@@H+]1C ZINC000490300044 528719657 /nfs/dbraw/zinc/71/96/57/528719657.db2.gz NXDYUWPSOFCHHW-ZDUSSCGKSA-N 1 0 323.397 1.325 20 5 DDBDRO CC1(C)CCC[N@H+](CCNC(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000444943755 528933666 /nfs/dbraw/zinc/93/36/66/528933666.db2.gz PQERVJMTEJPNMO-UHFFFAOYSA-N 1 0 321.381 1.655 20 5 DDBDRO CCNC(=O)CC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000046502323 696188051 /nfs/dbraw/zinc/18/80/51/696188051.db2.gz HJLXBTUJCZXPJU-UHFFFAOYSA-N 1 0 306.366 1.243 20 5 DDBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC000050443594 696232001 /nfs/dbraw/zinc/23/20/01/696232001.db2.gz YXSIQEVUJMICRJ-SECBINFHSA-N 1 0 318.782 1.773 20 5 DDBDRO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)NC[C@H]1CCC[NH2+]C1 ZINC000123367307 696731318 /nfs/dbraw/zinc/73/13/18/696731318.db2.gz FKHWLROJXKRASX-VIFPVBQESA-N 1 0 317.342 1.012 20 5 DDBDRO COC(=O)CC(C)(C)[NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000178324150 697423625 /nfs/dbraw/zinc/42/36/25/697423625.db2.gz ZIASXFCTZWUQOZ-UHFFFAOYSA-N 1 0 323.349 1.773 20 5 DDBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]CCc1cnccn1)OCCO2 ZINC000774832167 697933142 /nfs/dbraw/zinc/93/31/42/697933142.db2.gz JQMKGLLZXYQDDZ-UHFFFAOYSA-N 1 0 316.317 1.488 20 5 DDBDRO COC(=O)C1CC[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776270290 698090059 /nfs/dbraw/zinc/09/00/59/698090059.db2.gz CDHOKAJHGXOODL-AWEZNQCLSA-N 1 0 308.334 1.513 20 5 DDBDRO CC(C)(C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)N1CCOCC1 ZINC000776270180 698090296 /nfs/dbraw/zinc/09/02/96/698090296.db2.gz ACFVMYYBUMJVHR-HNNXBMFYSA-N 1 0 323.393 1.329 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)CN2CC[NH+](C3CCC3)CC2)cc1 ZINC000776585037 698121965 /nfs/dbraw/zinc/12/19/65/698121965.db2.gz RMSGLNFQLXQLMP-INIZCTEOSA-N 1 0 305.378 1.798 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CC[C@@H](n3cncn3)C2)cc1 ZINC000776879247 698145186 /nfs/dbraw/zinc/14/51/86/698145186.db2.gz SKVWYKBZUYXXPZ-ZIAGYGMSSA-N 1 0 303.322 1.167 20 5 DDBDRO CC[NH+](CC)CCS(=O)(=O)Oc1cccc([N+](=O)[O-])c1 ZINC000786935776 699181089 /nfs/dbraw/zinc/18/10/89/699181089.db2.gz XPSJKTADWGBQAL-UHFFFAOYSA-N 1 0 302.352 1.645 20 5 DDBDRO COC(=O)[C@@H]1CC[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)[C@@H]1C ZINC000787237363 699198832 /nfs/dbraw/zinc/19/88/32/699198832.db2.gz FTZVOTUFUCVZTN-ZWNOBZJWSA-N 1 0 318.333 1.785 20 5 DDBDRO C[C@@H]([NH2+]C[C@H](O)COCC1CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788586200 699325431 /nfs/dbraw/zinc/32/54/31/699325431.db2.gz ZDCJAZMNEYVXJA-MFKMUULPSA-N 1 0 309.366 1.615 20 5 DDBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000725376425 699331337 /nfs/dbraw/zinc/33/13/37/699331337.db2.gz WQMHAEIDLDKJCR-ZDUSSCGKSA-N 1 0 311.363 1.111 20 5 DDBDRO Cc1c(CO)cc([N+](=O)[O-])c(NCC[N@@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000732567182 699562711 /nfs/dbraw/zinc/56/27/11/699562711.db2.gz CTMPXSKEIFDPAH-UHFFFAOYSA-N 1 0 324.337 1.810 20 5 DDBDRO CC(C)[C@@H](C[NH+](C)C)NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000733166143 699581724 /nfs/dbraw/zinc/58/17/24/699581724.db2.gz FTWPJMGTSRRJRP-CYBMUJFWSA-N 1 0 308.382 1.709 20 5 DDBDRO C[NH+](C)C1(CNc2nc3ccccn3c2[N+](=O)[O-])CCOCC1 ZINC000733793024 699617346 /nfs/dbraw/zinc/61/73/46/699617346.db2.gz BNDOBIWAZMGERH-UHFFFAOYSA-N 1 0 319.365 1.765 20 5 DDBDRO C[NH+](C)CCCOC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000791792814 699654947 /nfs/dbraw/zinc/65/49/47/699654947.db2.gz BSCDZCUKKQILCZ-UHFFFAOYSA-N 1 0 318.333 1.889 20 5 DDBDRO COC(=O)[C@H]1[C@@H]2C[N@@H+](CCOc3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000794981451 699839801 /nfs/dbraw/zinc/83/98/01/699839801.db2.gz DERUTPLJMXCEIV-WDNDVIMCSA-N 1 0 306.318 1.324 20 5 DDBDRO C[NH+]1CCC2(CCN2C(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000742185190 699863908 /nfs/dbraw/zinc/86/39/08/699863908.db2.gz CPUUBRVKXGTWPG-UHFFFAOYSA-N 1 0 303.362 1.834 20 5 DDBDRO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)OCC[NH+]1CCCCC1 ZINC000770396748 701276490 /nfs/dbraw/zinc/27/64/90/701276490.db2.gz MWGOGRNMWVOKGB-UHFFFAOYSA-N 1 0 311.313 1.959 20 5 DDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@@H](C[NH+](C)C)C1 ZINC000814873443 701763105 /nfs/dbraw/zinc/76/31/05/701763105.db2.gz BIFIWLLTPWYNQF-NSHDSACASA-N 1 0 306.366 1.342 20 5 DDBDRO C[C@]([NH3+])(C(=O)NCC(F)(F)C(F)F)c1cccc([N+](=O)[O-])c1 ZINC000867974439 701866127 /nfs/dbraw/zinc/86/61/27/701866127.db2.gz TWMKOIZWQWFUNV-LLVKDONJSA-N 1 0 323.246 1.785 20 5 DDBDRO Cc1ccc(CNC(=O)C[C@H]2CSCC[NH2+]2)cc1[N+](=O)[O-] ZINC000867995340 701879810 /nfs/dbraw/zinc/87/98/10/701879810.db2.gz AEMROIHCSRQINI-LBPRGKRZSA-N 1 0 309.391 1.615 20 5 DDBDRO CCS(=O)(=O)CCC[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000840889138 702272325 /nfs/dbraw/zinc/27/23/25/702272325.db2.gz OVXIRNQQDASSCC-JTQLQIEISA-N 1 0 315.395 1.652 20 5 DDBDRO COC1([C@H](C)[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000817295944 702334173 /nfs/dbraw/zinc/33/41/73/702334173.db2.gz ADRKGGAIOWYJSS-WFASDCNBSA-N 1 0 324.377 1.802 20 5 DDBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1CCCN(C)C1=O ZINC000866278896 706662877 /nfs/dbraw/zinc/66/28/77/706662877.db2.gz BSOJMJJWGZBFMD-GWCFXTLKSA-N 1 0 309.341 1.875 20 5 DDBDRO [NH3+]CCCNC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000841161883 702371796 /nfs/dbraw/zinc/37/17/96/702371796.db2.gz PBQAUMDIVAHLKZ-UHFFFAOYSA-N 1 0 317.143 1.828 20 5 DDBDRO O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000818016636 702555188 /nfs/dbraw/zinc/55/51/88/702555188.db2.gz ZVYOPVPOZSOEPK-OAHLLOKOSA-N 1 0 319.317 1.292 20 5 DDBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC[C@]1(O)CCOC1 ZINC000866383472 706686534 /nfs/dbraw/zinc/68/65/34/706686534.db2.gz MPCLYSBBGHUWJL-NHYWBVRUSA-N 1 0 312.341 1.796 20 5 DDBDRO C[NH+](C)C1(CS(=O)(=O)Oc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000866389098 706687807 /nfs/dbraw/zinc/68/78/07/706687807.db2.gz PQCVYUWIBXMVRV-UHFFFAOYSA-N 1 0 318.326 1.537 20 5 DDBDRO CC(C)[C@@](C)(C[NH3+])NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000818522200 702658090 /nfs/dbraw/zinc/65/80/90/702658090.db2.gz LPHIGUBCEOUVHM-OAHLLOKOSA-N 1 0 319.365 1.434 20 5 DDBDRO C[C@H]1CN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC000842473434 702725061 /nfs/dbraw/zinc/72/50/61/702725061.db2.gz IVUUWFZXCYRUHC-VIFPVBQESA-N 1 0 312.757 1.480 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@H](O)Cc2ccccc2)cc1 ZINC000843087518 702816102 /nfs/dbraw/zinc/81/61/02/702816102.db2.gz KCISCDLGJXSWJE-IAGOWNOFSA-N 1 0 316.357 1.821 20 5 DDBDRO O=[N+]([O-])c1ccccc1Cc1noc(C[C@H]2CSCC[NH2+]2)n1 ZINC000843170839 702832576 /nfs/dbraw/zinc/83/25/76/702832576.db2.gz KDUMKMJPCPJJOG-NSHDSACASA-N 1 0 320.374 1.816 20 5 DDBDRO C[NH2+]CCCc1nc(CCNc2ccccc2[N+](=O)[O-])no1 ZINC000843185415 702836316 /nfs/dbraw/zinc/83/63/16/702836316.db2.gz TZVUTBCDHRCIJB-UHFFFAOYSA-N 1 0 305.338 1.784 20 5 DDBDRO O=[N+]([O-])c1ccc(Cc2noc([C@@H]3CC34CC[NH2+]CC4)n2)nc1 ZINC000843192723 702838497 /nfs/dbraw/zinc/83/84/97/702838497.db2.gz XZCLZIWJOGNOSD-LBPRGKRZSA-N 1 0 315.333 1.821 20 5 DDBDRO Nc1ccc(C(=O)N[C@H]2CC[NH2+]C23CCCC3)cc1[N+](=O)[O-] ZINC000843514429 702898181 /nfs/dbraw/zinc/89/81/81/702898181.db2.gz XDKAJPIEVZSGRD-ZDUSSCGKSA-N 1 0 304.350 1.582 20 5 DDBDRO C[C@@H](CO)C1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000844417149 703028624 /nfs/dbraw/zinc/02/86/24/703028624.db2.gz SGDAPMVSDOECJN-LRDDRELGSA-N 1 0 308.378 1.969 20 5 DDBDRO C[C@@H](C[NH+]1CCCC1)OC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000845663077 703187860 /nfs/dbraw/zinc/18/78/60/703187860.db2.gz LCHKSGRANILXFO-JTQLQIEISA-N 1 0 322.317 1.965 20 5 DDBDRO C[C@@H](CNC(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000848580810 703565044 /nfs/dbraw/zinc/56/50/44/703565044.db2.gz FKCLTRLOWVOULG-VIFPVBQESA-N 1 0 317.292 1.633 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCO[C@H]2CC2(F)F)c1 ZINC000849327708 703635760 /nfs/dbraw/zinc/63/57/60/703635760.db2.gz UWFXGEKWRIQCKO-RYUDHWBXSA-N 1 0 302.277 1.642 20 5 DDBDRO CC1(C)CC[NH2+]CCN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000866698964 706767909 /nfs/dbraw/zinc/76/79/09/706767909.db2.gz HJDBBIBHMGXDOG-UHFFFAOYSA-N 1 0 320.393 1.997 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[NH2+]CCC1(C)C ZINC000866699821 706768280 /nfs/dbraw/zinc/76/82/80/706768280.db2.gz ODWFABKKYAXQGR-UHFFFAOYSA-N 1 0 320.393 1.916 20 5 DDBDRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000869782403 703851733 /nfs/dbraw/zinc/85/17/33/703851733.db2.gz MEENGOYVSRRAKV-JTQLQIEISA-N 1 0 313.379 1.231 20 5 DDBDRO CCO[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1C)C[NH+](C)C ZINC000831751934 706771323 /nfs/dbraw/zinc/77/13/23/706771323.db2.gz SSEMHUQZNJFIKK-CYBMUJFWSA-N 1 0 309.366 1.600 20 5 DDBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NC[C@H]1CCC[NH2+]1 ZINC000818540865 703922273 /nfs/dbraw/zinc/92/22/73/703922273.db2.gz IJYFQYHVAFBTMW-SECBINFHSA-N 1 0 315.732 1.798 20 5 DDBDRO O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)NCC1CC[NH2+]CC1 ZINC000818559436 703925611 /nfs/dbraw/zinc/92/56/11/703925611.db2.gz CODDDNSNGZCGKA-UHFFFAOYSA-N 1 0 317.349 1.060 20 5 DDBDRO CCO[C@@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])C[NH+](C)C ZINC000831777058 706777683 /nfs/dbraw/zinc/77/76/83/706777683.db2.gz PTVTYANTKIUQKU-ZDUSSCGKSA-N 1 0 309.366 1.220 20 5 DDBDRO COC/C=C\C(=O)O[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000870377091 704014887 /nfs/dbraw/zinc/01/48/87/704014887.db2.gz GWKXIWXANVUAEG-BYPUDFOVSA-N 1 0 320.345 1.915 20 5 DDBDRO O=C1CC[C@@H]2C[N@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)CC[C@@H]2N1 ZINC000852495440 704062359 /nfs/dbraw/zinc/06/23/59/704062359.db2.gz KXFFXVZGFSMXHA-VHDGCEQUSA-N 1 0 319.361 1.229 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@H]2CCc3c[nH]nc3C2)c1 ZINC000819155074 704077649 /nfs/dbraw/zinc/07/76/49/704077649.db2.gz OKXGSMGTSRQLQO-WFASDCNBSA-N 1 0 302.334 1.498 20 5 DDBDRO Cc1cc(C)cc([C@H](O)C[NH2+]CCn2cc([N+](=O)[O-])cn2)c1 ZINC000819177588 704082189 /nfs/dbraw/zinc/08/21/89/704082189.db2.gz URNHUJJIMFFHQA-OAHLLOKOSA-N 1 0 304.350 1.731 20 5 DDBDRO COC1(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000819182932 704083088 /nfs/dbraw/zinc/08/30/88/704083088.db2.gz JJTQMJYJZQPTAT-CQSZACIVSA-N 1 0 310.350 1.413 20 5 DDBDRO C[C@H](C[C@H]1CCCC[N@@H+]1C)OC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000870786394 704131952 /nfs/dbraw/zinc/13/19/52/704131952.db2.gz WHMOJTVPMRIXPL-GHMZBOCLSA-N 1 0 310.354 1.748 20 5 DDBDRO [NH3+]C[C@H]1CC(C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)=NO1 ZINC000852883368 704159882 /nfs/dbraw/zinc/15/98/82/704159882.db2.gz JRUFOYCKHBCYHH-GFCCVEGCSA-N 1 0 318.333 1.189 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)NCC23CC(C2)C[NH2+]3)cc1[N+](=O)[O-] ZINC000852917843 704171910 /nfs/dbraw/zinc/17/19/10/704171910.db2.gz RKOKIUXYBQIYIY-UHFFFAOYSA-N 1 0 320.305 1.293 20 5 DDBDRO C[NH2+]C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000852920204 704172774 /nfs/dbraw/zinc/17/27/74/704172774.db2.gz NYEDRMUMNVNWOD-GFCCVEGCSA-N 1 0 320.393 1.923 20 5 DDBDRO Nc1ccc(N2CCC([N@@H+]3CCCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000853688502 704299859 /nfs/dbraw/zinc/29/98/59/704299859.db2.gz PGCPSMUXKSYFSU-UHFFFAOYSA-N 1 0 320.393 1.868 20 5 DDBDRO CC(C)(CCc1noc(-c2c[nH]nc2[C@H]2CC[NH2+]C2)n1)[N+](=O)[O-] ZINC000854158593 704363238 /nfs/dbraw/zinc/36/32/38/704363238.db2.gz XWHCAPNMINVIGH-VIFPVBQESA-N 1 0 320.353 1.525 20 5 DDBDRO CN(CC1C[NH+](C)C1)C(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000855638537 704494113 /nfs/dbraw/zinc/49/41/13/704494113.db2.gz KTISTOSQCPPMMK-UHFFFAOYSA-N 1 0 321.362 1.233 20 5 DDBDRO O=C(N[C@@H]1CCC[NH2+]C1)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857762971 704621535 /nfs/dbraw/zinc/62/15/35/704621535.db2.gz KBHVLSPUSUTFER-SECBINFHSA-N 1 0 315.276 1.435 20 5 DDBDRO C[C@@H](CC[NH3+])NC(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857766030 704622236 /nfs/dbraw/zinc/62/22/36/704622236.db2.gz XIBSHNYORCKSME-QMMMGPOBSA-N 1 0 303.265 1.420 20 5 DDBDRO [NH3+]C[C@@H](NC(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000857766039 704622251 /nfs/dbraw/zinc/62/22/51/704622251.db2.gz XPYBXPMFBYFNML-LLVKDONJSA-N 1 0 315.276 1.420 20 5 DDBDRO Cc1cc(Cl)c(S(=O)(=O)N(C)C[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000858642598 704738866 /nfs/dbraw/zinc/73/88/66/704738866.db2.gz OETIFPHNJPIYFT-MRVPVSSYSA-N 1 0 321.786 1.524 20 5 DDBDRO O=C(NC[C@@H]1COCC[NH2+]1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000859615081 704951721 /nfs/dbraw/zinc/95/17/21/704951721.db2.gz FAIZQUFTRFBLQY-SECBINFHSA-N 1 0 314.729 1.358 20 5 DDBDRO CO[C@@H](C[NH3+])Cc1nc(Cc2ccc([N+](=O)[O-])c(C)c2)no1 ZINC000822864294 705063699 /nfs/dbraw/zinc/06/36/99/705063699.db2.gz XXZLGGMOKFWSQG-LLVKDONJSA-N 1 0 306.322 1.393 20 5 DDBDRO Cc1cc(Cc2noc([C@H]3C[NH2+]CCO3)n2)ccc1[N+](=O)[O-] ZINC000822864377 705064004 /nfs/dbraw/zinc/06/40/04/705064004.db2.gz ZLVKOMYEBWQHAM-GFCCVEGCSA-N 1 0 304.306 1.538 20 5 DDBDRO COc1cccc(-c2nc(N3CC[NH2+]CC3)no2)c1[N+](=O)[O-] ZINC000823304208 705200859 /nfs/dbraw/zinc/20/08/59/705200859.db2.gz MJSJZHBMBKXOJF-UHFFFAOYSA-N 1 0 305.294 1.063 20 5 DDBDRO C[C@@H]([NH3+])CN(C)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000861589314 705512443 /nfs/dbraw/zinc/51/24/43/705512443.db2.gz BITFICIXDQOVAB-GFCCVEGCSA-N 1 0 308.382 1.906 20 5 DDBDRO CC(C)[N@H+](C)CCCNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000824964402 705567876 /nfs/dbraw/zinc/56/78/76/705567876.db2.gz VWNOIOZLDZVTJC-AWEZNQCLSA-N 1 0 309.366 1.475 20 5 DDBDRO O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000825208637 705625987 /nfs/dbraw/zinc/62/59/87/705625987.db2.gz ZPKTVHXAJOXYQE-TVQRCGJNSA-N 1 0 320.305 1.327 20 5 DDBDRO CN(C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1C[NH+]2CCC1CC2 ZINC000825835109 705735449 /nfs/dbraw/zinc/73/54/49/705735449.db2.gz BQKFLCBRHGQPDJ-LSDHHAIUSA-N 1 0 319.361 1.181 20 5 DDBDRO CN(C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000825844530 705736421 /nfs/dbraw/zinc/73/64/21/705736421.db2.gz MCYCXIWNSHGNLL-HUUCEWRRSA-N 1 0 319.361 1.323 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1CN1CCN2C(=O)OC[C@H]2C1 ZINC000876766081 705865816 /nfs/dbraw/zinc/86/58/16/705865816.db2.gz APKGMWPDHXLNSZ-GFCCVEGCSA-N 1 0 305.334 1.848 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@H](CC[NH3+])C(F)F ZINC000876863464 705896925 /nfs/dbraw/zinc/89/69/25/705896925.db2.gz GDVDGGDQWNWWLR-SECBINFHSA-N 1 0 301.293 1.924 20 5 DDBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@H](F)[C@@H]1CC[NH2+]C1)CC2 ZINC000876904747 705917471 /nfs/dbraw/zinc/91/74/71/705917471.db2.gz JSLQJZXVBZDHCV-BXUZGUMPSA-N 1 0 307.325 1.740 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@H]3COCCN3)CC2)cc1 ZINC000863545486 705953445 /nfs/dbraw/zinc/95/34/45/705953445.db2.gz TVWIVXPCZLTUCU-AWEZNQCLSA-N 1 0 320.393 1.142 20 5 DDBDRO Nc1ccc(-c2noc([C@H](F)[C@@H]3CC[NH2+]C3)n2)cc1[N+](=O)[O-] ZINC000863658025 705978780 /nfs/dbraw/zinc/97/87/80/705978780.db2.gz INQVNBGECCNZIX-LDYMZIIASA-N 1 0 307.285 1.847 20 5 DDBDRO O=[N+]([O-])c1cccc(CC[NH2+]CC2CCS(=O)(=O)CC2)c1 ZINC000877124649 705990553 /nfs/dbraw/zinc/99/05/53/705990553.db2.gz PDSIQFNEWYASJQ-UHFFFAOYSA-N 1 0 312.391 1.552 20 5 DDBDRO CN(CCCCCC[NH3+])C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000877442658 706108373 /nfs/dbraw/zinc/10/83/73/706108373.db2.gz SKRLKBFQCDSJSV-UHFFFAOYSA-N 1 0 309.366 1.951 20 5 DDBDRO C[NH+](C)CC(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000881864294 707397911 /nfs/dbraw/zinc/39/79/11/707397911.db2.gz NEZFYMSSURXSIY-UHFFFAOYSA-N 1 0 316.155 1.535 20 5 DDBDRO C[NH+](C)C[C@@]1(O)CCCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000878866786 706519648 /nfs/dbraw/zinc/51/96/48/706519648.db2.gz XDYCIBUPOHDUAF-HOTGVXAUSA-N 1 0 323.393 1.017 20 5 DDBDRO CCCN(CCC[NH+](C)C)C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000830812843 706584361 /nfs/dbraw/zinc/58/43/61/706584361.db2.gz VSAYGIDGTZIPMT-OAHLLOKOSA-N 1 0 323.393 1.819 20 5 DDBDRO COc1cccc([N+](=O)[O-])c1N[C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000865998995 706589590 /nfs/dbraw/zinc/58/95/90/706589590.db2.gz VQSYFLNACKDAHG-NSHDSACASA-N 1 0 309.366 1.861 20 5 DDBDRO O=C1CC2(CCC2)[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCN1 ZINC000880169731 706899390 /nfs/dbraw/zinc/89/93/90/706899390.db2.gz ZGVRCHDNRGXRKW-CQSZACIVSA-N 1 0 319.361 1.373 20 5 DDBDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H](O)c3cccc([N+](=O)[O-])c3)C2)C1 ZINC000833458975 707008619 /nfs/dbraw/zinc/00/86/19/707008619.db2.gz RIGODNAOMYOISR-GDBMZVCRSA-N 1 0 319.361 1.182 20 5 DDBDRO CC[C@@H]1CN(C(=O)c2cc(C)cc([N+](=O)[O-])c2N)CC[C@@H]1[NH3+] ZINC000834646372 707098019 /nfs/dbraw/zinc/09/80/19/707098019.db2.gz DXJWLMPVKVUECW-PWSUYJOCSA-N 1 0 306.366 1.685 20 5 DDBDRO O=[N+]([O-])c1ccc(Cn2cc(C[C@H]3CC[NH2+]C3)nn2)cc1F ZINC000881213596 707155454 /nfs/dbraw/zinc/15/54/54/707155454.db2.gz QIEAOLCADJBTPV-SNVBAGLBSA-N 1 0 305.313 1.526 20 5 DDBDRO CC(C)(O)C[C@H](O)C[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000872206253 707327460 /nfs/dbraw/zinc/32/74/60/707327460.db2.gz WAKWQECHHGKBSH-LBPRGKRZSA-N 1 0 316.785 1.902 20 5 DDBDRO CC1(C)CO[C@H](C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000872243228 707346129 /nfs/dbraw/zinc/34/61/29/707346129.db2.gz LOOLICXTEWCCHI-ZFWWWQNUSA-N 1 0 324.377 1.739 20 5 DDBDRO Nc1ccc(N2CCC[C@@H]([NH2+]C3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000882726267 707762592 /nfs/dbraw/zinc/76/25/92/707762592.db2.gz PDAFEPTXUURMKD-CQSZACIVSA-N 1 0 320.393 1.914 20 5 DDBDRO CC1([NH+]2CCC2)CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000882966012 707877024 /nfs/dbraw/zinc/87/70/24/707877024.db2.gz SQAUFJLZTICUGY-UHFFFAOYSA-N 1 0 318.377 1.758 20 5 DDBDRO CS(=O)(=O)[C@H]1C[C@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000883376571 707987897 /nfs/dbraw/zinc/98/78/97/707987897.db2.gz OJNIWVZPVWFSFR-KWBADKCTSA-N 1 0 310.375 1.747 20 5 DDBDRO CN1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[N@H+](C)CC1 ZINC000897095993 708229014 /nfs/dbraw/zinc/22/90/14/708229014.db2.gz YKYSOGAKZPFNAB-UHFFFAOYSA-N 1 0 318.381 1.155 20 5 DDBDRO O=[N+]([O-])c1cccc(F)c1N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000897222715 708260527 /nfs/dbraw/zinc/26/05/27/708260527.db2.gz XANUFHXQVMLLHZ-CHWSQXEVSA-N 1 0 309.341 1.769 20 5 DDBDRO C[C@H]1CN(c2cc[nH+]cc2)CCN1c1c([N+](=O)[O-])ncn1C ZINC000884855821 708395669 /nfs/dbraw/zinc/39/56/69/708395669.db2.gz RCUGYRFOFNUATO-NSHDSACASA-N 1 0 302.338 1.438 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@@H](c3ncccn3)C2)n1 ZINC000886681122 708812814 /nfs/dbraw/zinc/81/28/14/708812814.db2.gz SLSWNTSDWOPUBX-GFCCVEGCSA-N 1 0 302.338 1.461 20 5 DDBDRO CC(C)OC(=O)C1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000886724118 708822939 /nfs/dbraw/zinc/82/29/39/708822939.db2.gz XNXFLGMWQSRUTQ-UHFFFAOYSA-N 1 0 310.354 1.455 20 5 DDBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(O)(COCCO)CC1 ZINC000886741155 708831443 /nfs/dbraw/zinc/83/14/43/708831443.db2.gz WOXXAYYJAYSWQW-CYBMUJFWSA-N 1 0 324.377 1.492 20 5 DDBDRO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886839267 708858940 /nfs/dbraw/zinc/85/89/40/708858940.db2.gz AIRMYZHHNDIWHG-HUUCEWRRSA-N 1 0 320.393 1.708 20 5 DDBDRO Cc1nn(C)c(C(=O)N[C@H]2C[C@H]([NH+](C)C)C23CCC3)c1[N+](=O)[O-] ZINC000898840296 708886080 /nfs/dbraw/zinc/88/60/80/708886080.db2.gz IFGNOQHRGZCUFJ-QWRGUYRKSA-N 1 0 321.381 1.239 20 5 DDBDRO C[NH2+]C1(CNC(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CCC1 ZINC000899149635 709000846 /nfs/dbraw/zinc/00/08/46/709000846.db2.gz CQJJLYHLJRVLFS-KGLIPLIRSA-N 1 0 303.362 1.957 20 5 DDBDRO COc1ccc(CNC(=O)C23CC[NH+](CC2)C3)cc1[N+](=O)[O-] ZINC000900300260 709528285 /nfs/dbraw/zinc/52/82/85/709528285.db2.gz RRVPNRILGSHCJX-UHFFFAOYSA-N 1 0 305.334 1.315 20 5 DDBDRO C[NH+](C)CCOCCNc1c2cc(F)ccc2ncc1[N+](=O)[O-] ZINC000893100340 710554420 /nfs/dbraw/zinc/55/44/20/710554420.db2.gz GLYAHJYTLWBFPK-UHFFFAOYSA-N 1 0 322.340 1.694 20 5 DDBDRO C[C@H]1[C@@H](NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC[N@@H+]1C ZINC000928438646 713195842 /nfs/dbraw/zinc/19/58/42/713195842.db2.gz GVYAKOOSOLDLNT-GWCFXTLKSA-N 1 0 314.345 1.965 20 5 DDBDRO CNC(=O)c1ccc(N2CC[C@H]3C[N@H+](C)C[C@H]32)c([N+](=O)[O-])c1 ZINC000893941491 710893871 /nfs/dbraw/zinc/89/38/71/710893871.db2.gz SDWBHYGDQJPRLP-SMDDNHRTSA-N 1 0 304.350 1.095 20 5 DDBDRO O=C(NCC[C@@H]1CC[NH2+]C1)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000911775457 710978528 /nfs/dbraw/zinc/97/85/28/710978528.db2.gz PKKDMABGMAHXBA-CQDKDKBSSA-N 1 0 303.362 1.814 20 5 DDBDRO COc1ccc(C[NH2+][C@@H]2CCO[C@]23CCOC3)cc1[N+](=O)[O-] ZINC000903083667 711027086 /nfs/dbraw/zinc/02/70/86/711027086.db2.gz LLNXLEMFCPJCBS-CABCVRRESA-N 1 0 308.334 1.641 20 5 DDBDRO C[NH+]1CCC(N(CCO)C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000911933442 711074980 /nfs/dbraw/zinc/07/49/80/711074980.db2.gz JHYYKNLDZPAMQO-UHFFFAOYSA-N 1 0 307.350 1.124 20 5 DDBDRO CC(C)(C[NH3+])CC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000912001551 711110931 /nfs/dbraw/zinc/11/09/31/711110931.db2.gz QWVNTIREVZJEPN-UHFFFAOYSA-N 1 0 320.393 1.618 20 5 DDBDRO C[N@@H+]1CC[C@@H]1CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000928565723 713230829 /nfs/dbraw/zinc/23/08/29/713230829.db2.gz BIWCEQSBJOSXQU-CQSZACIVSA-N 1 0 306.366 1.607 20 5 DDBDRO C[C@@H](N[C@@H]1CC[NH2+]C12CCC2)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000903464984 711134937 /nfs/dbraw/zinc/13/49/37/711134937.db2.gz COXRLIYMDAQRDP-BXUZGUMPSA-N 1 0 318.377 1.796 20 5 DDBDRO COC(=O)N1CC(C)([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000894542917 711173329 /nfs/dbraw/zinc/17/33/29/711173329.db2.gz SBVBGUFWVZMWSE-UHFFFAOYSA-N 1 0 309.322 1.534 20 5 DDBDRO COc1cc(N(C)CC[N@H+](C)CCO)c(Cl)cc1[N+](=O)[O-] ZINC000894590760 711198385 /nfs/dbraw/zinc/19/83/85/711198385.db2.gz LDPSRESKEDHXSS-UHFFFAOYSA-N 1 0 317.773 1.617 20 5 DDBDRO C[C@H]1[NH2+]CCn2c(C(=O)NCc3ccc([N+](=O)[O-])cc3)ccc21 ZINC000912272237 711253770 /nfs/dbraw/zinc/25/37/70/711253770.db2.gz KEANOFVVIVWNNU-LLVKDONJSA-N 1 0 314.345 1.991 20 5 DDBDRO COCC[C@H]1C[NH2+]CCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000903835964 711296695 /nfs/dbraw/zinc/29/66/95/711296695.db2.gz BLWKHKGLISDLHF-AWEZNQCLSA-N 1 0 309.366 1.284 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[C@]12CC[NH2+]C2 ZINC000903863122 711307220 /nfs/dbraw/zinc/30/72/20/711307220.db2.gz JBMIPWPRGBZVOD-MRXNPFEDSA-N 1 0 318.377 1.670 20 5 DDBDRO C[N@@H+]1CCN(c2nccc3ccc([N+](=O)[O-])cc32)C[C@H]1CO ZINC000894884681 711307787 /nfs/dbraw/zinc/30/77/87/711307787.db2.gz ILWHZOSWLIMZQZ-ZDUSSCGKSA-N 1 0 302.334 1.256 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC[C@]12CC[NH2+]C2 ZINC000903871330 711310460 /nfs/dbraw/zinc/31/04/60/711310460.db2.gz SEZCWAQMGMFFHO-XJKSGUPXSA-N 1 0 321.377 1.162 20 5 DDBDRO C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000913538591 713249307 /nfs/dbraw/zinc/24/93/07/713249307.db2.gz FBZXNMBONSOCOM-QZERPFSJSA-N 1 0 301.346 1.913 20 5 DDBDRO COC[C@H]1C[NH2+]CCN1C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000904277069 711422680 /nfs/dbraw/zinc/42/26/80/711422680.db2.gz GOFKUJPBOGNUTI-LLVKDONJSA-N 1 0 308.338 1.355 20 5 DDBDRO COCC[C@@H]1C[NH2+]CCN1C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000904276989 711422937 /nfs/dbraw/zinc/42/29/37/711422937.db2.gz DFSKUBMKHAWCIR-GFCCVEGCSA-N 1 0 322.365 1.745 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000895188096 711448660 /nfs/dbraw/zinc/44/86/60/711448660.db2.gz XTTYICLKPYISAS-NHAGDIPZSA-N 1 0 313.361 1.871 20 5 DDBDRO C[C@H](Nc1c(F)cc([N+](=O)[O-])cc1F)[C@@H]1C[N@H+](C)CCN1C ZINC000895249501 711465509 /nfs/dbraw/zinc/46/55/09/711465509.db2.gz UVQBBJUJDQHKMM-ZANVPECISA-N 1 0 314.336 1.919 20 5 DDBDRO O=[N+]([O-])c1cc(F)ccc1NCCN1CCC2(C1)OCCO2 ZINC000895253668 711467566 /nfs/dbraw/zinc/46/75/66/711467566.db2.gz IZPXRBLSGRYPQC-UHFFFAOYSA-N 1 0 311.313 1.595 20 5 DDBDRO C[NH+](C)CC[C@H]1CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000895324841 711484218 /nfs/dbraw/zinc/48/42/18/711484218.db2.gz LBTQLEIABSAVJS-NSHDSACASA-N 1 0 306.366 1.472 20 5 DDBDRO Cc1ccnc(NC[C@H]2CC[N@@H+]2C2CCOCC2)c1[N+](=O)[O-] ZINC000896517474 711736819 /nfs/dbraw/zinc/73/68/19/711736819.db2.gz GLBDMMNOEJRXKV-CYBMUJFWSA-N 1 0 306.366 1.963 20 5 DDBDRO CN(C)c1cc(F)c(C(=O)NC23CC[NH+](CC2)C3)cc1[N+](=O)[O-] ZINC000913633839 713273444 /nfs/dbraw/zinc/27/34/44/713273444.db2.gz QTRYQYTXEHCTJP-UHFFFAOYSA-N 1 0 322.340 1.378 20 5 DDBDRO COc1ccc(NC(=O)N2CCC[C@@]23CC[NH2+]C3)cc1[N+](=O)[O-] ZINC000904412057 711854792 /nfs/dbraw/zinc/85/47/92/711854792.db2.gz OYVQWMJYHJTFSO-HNNXBMFYSA-N 1 0 320.349 1.963 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CC[C@H]2CCCC2(F)F)c1 ZINC000905420273 712033544 /nfs/dbraw/zinc/03/35/44/712033544.db2.gz RJQKFIZZTCZQRH-PWSUYJOCSA-N 1 0 318.324 1.567 20 5 DDBDRO CC(C)O[C@]1(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CCOC1 ZINC000905559002 712077298 /nfs/dbraw/zinc/07/72/98/712077298.db2.gz UBCZFMSQMRNUCV-HOTGVXAUSA-N 1 0 324.377 1.802 20 5 DDBDRO C[NH+](C)C1CC(NC(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000908009782 712665434 /nfs/dbraw/zinc/66/54/34/712665434.db2.gz LEYKMSZTVDSDBL-UHFFFAOYSA-N 1 0 307.350 1.573 20 5 DDBDRO O=C(NC[C@H]1CCCN(CC[N+](=O)[O-])C1)OCc1ccccc1 ZINC000930284976 713793720 /nfs/dbraw/zinc/79/37/20/713793720.db2.gz KAGRYUWQPMAFOJ-OAHLLOKOSA-N 1 0 321.377 1.902 20 5 DDBDRO C[C@H]1[C@H](NC(=O)NCCc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000921681052 713841117 /nfs/dbraw/zinc/84/11/17/713841117.db2.gz PPKIZLWIFJQNTH-SMDDNHRTSA-N 1 0 306.366 1.529 20 5 DDBDRO COc1ccc(NC(=O)N[C@@H]2CC[N@H+](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000930770385 713916168 /nfs/dbraw/zinc/91/61/68/713916168.db2.gz WOJZUFSSDSCPJA-GXSJLCMTSA-N 1 0 308.338 1.818 20 5 DDBDRO Cc1c(CNC(=O)NCC2([NH+](C)C)CC2)cccc1[N+](=O)[O-] ZINC000922167465 713980800 /nfs/dbraw/zinc/98/08/00/713980800.db2.gz ALOXDKDFNBMJKM-UHFFFAOYSA-N 1 0 306.366 1.797 20 5 DDBDRO C[C@](CO)([NH2+]C[C@@H]1C[C@@H]2COC[C@H]2O1)c1cccc([N+](=O)[O-])c1 ZINC000931471466 714105547 /nfs/dbraw/zinc/10/55/47/714105547.db2.gz RMQKSAPTBHZMMB-MSQAHXEGSA-N 1 0 322.361 1.196 20 5 DDBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@H]1CCN1C1CCOCC1 ZINC000922951787 714195974 /nfs/dbraw/zinc/19/59/74/714195974.db2.gz RVRVTTIZIIGCLZ-OAHLLOKOSA-N 1 0 305.378 1.938 20 5 DDBDRO C[C@@H]([NH2+]CC(=O)N1CCO[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000932183646 714281208 /nfs/dbraw/zinc/28/12/08/714281208.db2.gz VGJJWKRDCATLBX-NWDGAFQWSA-N 1 0 307.350 1.493 20 5 DDBDRO C[NH2+]C[C@@H]1CCCN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000923295237 714300736 /nfs/dbraw/zinc/30/07/36/714300736.db2.gz UBNVRLMHSJMXEB-STQMWFEESA-N 1 0 309.366 1.018 20 5 DDBDRO CN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H](C[NH3+])C(F)(F)F ZINC000923397641 714341570 /nfs/dbraw/zinc/34/15/70/714341570.db2.gz NQJYPHIGQLQQQR-MNOVXSKESA-N 1 0 307.272 1.450 20 5 DDBDRO CCOC(=O)[C@H]1CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000932644233 714373708 /nfs/dbraw/zinc/37/37/08/714373708.db2.gz HKPUXNHGSIEVEU-GXTWGEPZSA-N 1 0 308.334 1.513 20 5 DDBDRO C[C@]12C[N@H+](CCn3cc([N+](=O)[O-])ccc3=O)C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC000933705250 714652231 /nfs/dbraw/zinc/65/22/31/714652231.db2.gz YLHKBCFTWRHOJX-UICACZKSSA-N 1 0 315.373 1.901 20 5 DDBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@@H]2C2OCCO2)c1 ZINC000933910134 714699826 /nfs/dbraw/zinc/69/98/26/714699826.db2.gz SFYMNDXFLNDUHJ-CQSZACIVSA-N 1 0 308.334 1.811 20 5 DDBDRO CC[N@H+](CCO)CCNC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000935429749 715053138 /nfs/dbraw/zinc/05/31/38/715053138.db2.gz FJEUQCISPZCDKZ-GJZGRUSLSA-N 1 0 321.377 1.129 20 5 DDBDRO CCCN(CCC[NH+](C)C)C(=O)Cn1c(C)ncc1[N+](=O)[O-] ZINC000935584350 715093510 /nfs/dbraw/zinc/09/35/10/715093510.db2.gz FZSXEURJJXHCTO-UHFFFAOYSA-N 1 0 311.386 1.290 20 5 DDBDRO Cc1cc(Cl)nc(N2CCN3CC[NH2+]C[C@H]3C2)c1[N+](=O)[O-] ZINC001164391465 718832002 /nfs/dbraw/zinc/83/20/02/718832002.db2.gz KEPHDUDTEAYIEZ-JTQLQIEISA-N 1 0 311.773 1.045 20 5 DDBDRO C[N@@H+]1CCO[C@@H]2CN(c3ncnc4cccc([N+](=O)[O-])c43)C[C@H]21 ZINC000347409206 719475085 /nfs/dbraw/zinc/47/50/85/719475085.db2.gz GYAWUDBSYJFAFF-CHWSQXEVSA-N 1 0 315.333 1.057 20 5 DDBDRO Nc1cc([N+](=O)[O-])cnc1N1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001164768091 721296012 /nfs/dbraw/zinc/29/60/12/721296012.db2.gz FGQNMNLOGARUAG-UHFFFAOYSA-N 1 0 303.366 1.494 20 5 DDBDRO CC[NH+]1CCN(C2CN(c3c(F)cccc3[N+](=O)[O-])C2)CC1 ZINC001120876626 782202878 /nfs/dbraw/zinc/20/28/78/782202878.db2.gz HZMIIFQFOMWCLT-UHFFFAOYSA-N 1 0 308.357 1.560 20 5 DDBDRO Cc1cc(Cl)c(-n2c(C)ncc(C[NH3+])c2=N)c([N+](=O)[O-])c1 ZINC001167677257 735423733 /nfs/dbraw/zinc/42/37/33/735423733.db2.gz MDNBOBIFEHTBBG-UHFFFAOYSA-N 1 0 307.741 1.989 20 5 DDBDRO [NH3+][C@H]1CN(c2cc3ccc(Cl)nc3cc2[N+](=O)[O-])C[C@H]1O ZINC001167090165 732554512 /nfs/dbraw/zinc/55/45/12/732554512.db2.gz VDEYDVOMTLXWPP-QPUJVOFHSA-N 1 0 308.725 1.305 20 5 DDBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cncc(F)c1 ZINC001125577476 734651772 /nfs/dbraw/zinc/65/17/72/734651772.db2.gz KFYFKDRBFVYLMS-UHFFFAOYSA-N 1 0 318.308 1.649 20 5 DDBDRO Cc1cccc(C[NH+]2CC(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c1 ZINC001031661953 747336659 /nfs/dbraw/zinc/33/66/59/747336659.db2.gz OEAAVZARBAGJJB-HUUCEWRRSA-N 1 0 303.362 1.208 20 5 DDBDRO CN1CCN(C(=[NH2+])Nc2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC001168736779 748474497 /nfs/dbraw/zinc/47/44/97/748474497.db2.gz KIWDHCKAVVXFBP-UHFFFAOYSA-N 1 0 314.349 1.737 20 5 DDBDRO CN1CCN(C(=[NH2+])Nc2cc3cccnc3c([N+](=O)[O-])c2)CC1 ZINC001168737210 748503961 /nfs/dbraw/zinc/50/39/61/748503961.db2.gz QQGLJYCWQLURKE-UHFFFAOYSA-N 1 0 314.349 1.737 20 5 DDBDRO CC(C)(C)C(=O)C(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001124977192 748742616 /nfs/dbraw/zinc/74/26/16/748742616.db2.gz XCBQQHOLJLBBDM-UHFFFAOYSA-N 1 0 307.350 1.416 20 5 DDBDRO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC[NH+](Cc2ccsc2)CC1 ZINC001005381493 749931740 /nfs/dbraw/zinc/93/17/40/749931740.db2.gz LQZKXKUPXPQCDC-ZIAGYGMSSA-N 1 0 323.418 1.836 20 5 DDBDRO [NH3+]Cc1nnnn1-c1nc2c(ccc3ccccc32)nc1Cl ZINC001168921065 762125776 /nfs/dbraw/zinc/12/57/76/762125776.db2.gz QRBUOSZIRBQWAO-UHFFFAOYSA-N 1 0 311.736 1.871 20 5 DDBDRO COC[C@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)[C@@H](O)c1ccccc1 ZINC001168997272 762170205 /nfs/dbraw/zinc/17/02/05/762170205.db2.gz YLKCOLNWDIJQEK-OJLVUWQFSA-N 1 0 308.378 1.770 20 5 DDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2cn(Cc3ccccn3)cn2)C1 ZINC001169000879 762171862 /nfs/dbraw/zinc/17/18/62/762171862.db2.gz ZCACOHBMBRFDPC-KBPBESRZSA-N 1 0 315.377 1.861 20 5 DDBDRO CS(=O)(=O)c1ccccc1C[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168986961 762179862 /nfs/dbraw/zinc/17/98/62/762179862.db2.gz GQVOZIIQFFGKSJ-DGCLKSJQSA-N 1 0 312.391 1.625 20 5 DDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2CCCN(c3ncccn3)CC2)C1 ZINC001169036157 762191648 /nfs/dbraw/zinc/19/16/48/762191648.db2.gz NGALCJUFXDFBQD-KBPBESRZSA-N 1 0 305.382 1.434 20 5 DDBDRO O=C([C@@H]1CCCC[N@H+]1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1)N1CCCC1 ZINC001169024991 762202484 /nfs/dbraw/zinc/20/24/84/762202484.db2.gz IKACOTZHJRNTKI-KFWWJZLASA-N 1 0 309.410 1.909 20 5 DDBDRO O=C(c1ccccn1)N1CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169050583 762207053 /nfs/dbraw/zinc/20/70/53/762207053.db2.gz BRDHNOPSFSZHKG-KBPBESRZSA-N 1 0 318.377 1.285 20 5 DDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CCC(Oc3ncc(F)cn3)CC2)C1 ZINC001169054402 762209717 /nfs/dbraw/zinc/20/97/17/762209717.db2.gz LWTWRKVIJYYGLY-WCQYABFASA-N 1 0 324.356 1.904 20 5 DDBDRO C[NH+](C)CCOc1cc(NCC2OCCO2)ccc1[N+](=O)[O-] ZINC001169065342 762215775 /nfs/dbraw/zinc/21/57/75/762215775.db2.gz DMDZDIFKVGPVBP-UHFFFAOYSA-N 1 0 311.338 1.320 20 5 DDBDRO [NH3+][C@@H](CO)Cc1cncn1-c1ccc2cnccc2c1[N+](=O)[O-] ZINC001169075345 762223938 /nfs/dbraw/zinc/22/39/38/762223938.db2.gz QSSZUIQNXBDQPH-LLVKDONJSA-N 1 0 313.317 1.191 20 5 DDBDRO Cc1cc(NCc2ncn3c2C[NH2+]CCC3)ncc1[N+](=O)[O-] ZINC001169241753 762305646 /nfs/dbraw/zinc/30/56/46/762305646.db2.gz VUFIEHQDALRKMA-UHFFFAOYSA-N 1 0 302.338 1.600 20 5 DDBDRO C[NH2+]C[C@H](C)CNC(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC001118844470 756752176 /nfs/dbraw/zinc/75/21/76/756752176.db2.gz IRYVDQRAGNUQME-VIFPVBQESA-N 1 0 317.292 1.538 20 5 DDBDRO O=[N+]([O-])c1ccc(C(F)(F)N2C[C@@H]3[NH2+]C[C@H]3C2)nc1Cl ZINC001165195292 756920410 /nfs/dbraw/zinc/92/04/10/756920410.db2.gz WVECEQISUIQWMY-BQBZGAKWSA-N 1 0 304.684 1.596 20 5 DDBDRO CCC[N@H+](C)CC(=O)N[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001097203795 756973697 /nfs/dbraw/zinc/97/36/97/756973697.db2.gz XAYLIBCXLWURNG-OKILXGFUSA-N 1 0 320.393 1.996 20 5 DDBDRO O=[N+]([O-])c1ccn(C2CC[NH+](CCO[C@@H]3CCOC3)CC2)n1 ZINC001119854886 758099579 /nfs/dbraw/zinc/09/95/79/758099579.db2.gz IVFGBWXIDWQWGH-CYBMUJFWSA-N 1 0 310.354 1.234 20 5 DDBDRO C[C@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000823680575 758340131 /nfs/dbraw/zinc/34/01/31/758340131.db2.gz PPXMTRNJABFJRN-VXGBXAGGSA-N 1 0 323.397 1.521 20 5 DDBDRO CCN(c1nccc(C(=O)OC)c1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC001158205151 767867960 /nfs/dbraw/zinc/86/79/60/767867960.db2.gz MALDCGBGVQIJLF-JTQLQIEISA-N 1 0 308.338 1.355 20 5 DDBDRO COc1cnc(-n2cncc2C2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC001155057588 760410503 /nfs/dbraw/zinc/41/05/03/760410503.db2.gz KSTSSFBTRSRKBM-UHFFFAOYSA-N 1 0 303.322 1.651 20 5 DDBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)c1ccon1 ZINC001020008296 760418784 /nfs/dbraw/zinc/41/87/84/760418784.db2.gz RSJDBCSCBLRBOW-HAQNSBGRSA-N 1 0 316.317 1.633 20 5 DDBDRO COc1nc(C)c([N+](=O)[O-])c(NC[C@]2(F)CCCC[NH2+]C2)n1 ZINC001155116673 760611434 /nfs/dbraw/zinc/61/14/34/760611434.db2.gz LKKIIMISVRUEJN-ZDUSSCGKSA-N 1 0 313.333 1.596 20 5 DDBDRO Cc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cc1 ZINC001020139366 760614046 /nfs/dbraw/zinc/61/40/46/760614046.db2.gz ZIVPQDLASROERU-KBUPBQIOSA-N 1 0 303.362 1.397 20 5 DDBDRO Cc1cc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cs1 ZINC001086363467 761492437 /nfs/dbraw/zinc/49/24/37/761492437.db2.gz VWOWVDVOMRNJMQ-FMKGYKFTSA-N 1 0 323.418 1.706 20 5 DDBDRO O=C(NC1(C2CC[NH+](CCC3CC3)CC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001000151411 761544141 /nfs/dbraw/zinc/54/41/41/761544141.db2.gz VLNMDCPMDOSCGX-HUUCEWRRSA-N 1 0 321.421 1.813 20 5 DDBDRO CC(C)CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1 ZINC001050518560 763695369 /nfs/dbraw/zinc/69/53/69/763695369.db2.gz BWSWBGICSNVRBQ-ZIAGYGMSSA-N 1 0 309.410 1.622 20 5 DDBDRO [NH3+]Cc1ccc2nnn(-c3ncnc(Cl)c3[N+](=O)[O-])c2c1 ZINC001170019273 763988208 /nfs/dbraw/zinc/98/82/08/763988208.db2.gz WOIMOVILTWIKJD-UHFFFAOYSA-N 1 0 305.685 1.231 20 5 DDBDRO COc1cnc(-n2nnc3ccc(C[NH3+])cc32)cc1[N+](=O)[O-] ZINC001170021762 764066125 /nfs/dbraw/zinc/06/61/25/764066125.db2.gz FANXDMRCZZBQQI-UHFFFAOYSA-N 1 0 300.278 1.191 20 5 DDBDRO COCC(C)(C)CC(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001131726264 768294490 /nfs/dbraw/zinc/29/44/90/768294490.db2.gz YCDNVOAWBLRFPG-UHFFFAOYSA-N 1 0 323.393 1.863 20 5 DDBDRO COc1ccc(C[C@@H](C)[NH2+]CC(C)(C)C(N)=O)c([N+](=O)[O-])c1 ZINC001170310491 766243343 /nfs/dbraw/zinc/24/33/43/766243343.db2.gz WYTLAANYRFHKPS-SNVBAGLBSA-N 1 0 309.366 1.636 20 5 DDBDRO COc1ccc(C[C@@H](C)[NH2+]C[C@H]2CNC(=O)O2)c([N+](=O)[O-])c1 ZINC001170326033 766252703 /nfs/dbraw/zinc/25/27/03/766252703.db2.gz CMJOIAUDDBUVCL-SKDRFNHKSA-N 1 0 309.322 1.232 20 5 DDBDRO COc1ccc(C[C@@H](C)[NH2+][C@@H]2CNC(=O)C2(C)C)c([N+](=O)[O-])c1 ZINC001170325860 766253124 /nfs/dbraw/zinc/25/31/24/766253124.db2.gz AUDRPAVEAQXKAM-QMTHXVAHSA-N 1 0 321.377 1.649 20 5 DDBDRO COc1ccc(C[C@@H](C)N2C[C@@H]3C[C@H]2C[N@@H+]3C)c([N+](=O)[O-])c1 ZINC001170354415 766261654 /nfs/dbraw/zinc/26/16/54/766261654.db2.gz KWEOFSBBEJTLCJ-XBFCOCLRSA-N 1 0 305.378 1.923 20 5 DDBDRO CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1c([N+](=O)[O-])ncn1C ZINC001048489267 769446385 /nfs/dbraw/zinc/44/63/85/769446385.db2.gz IFGPRPDYABGLDO-CLLJXQQHSA-N 1 0 321.381 1.207 20 5 DDBDRO Cc1nc(C)c(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])[nH]1 ZINC001133989850 770530537 /nfs/dbraw/zinc/53/05/37/770530537.db2.gz WZEGHBWKUCBHMC-UHFFFAOYSA-N 1 0 317.349 1.454 20 5 DDBDRO [NH3+]CCOCCOCCNc1cc(Cl)ncc1[N+](=O)[O-] ZINC001159445346 771418294 /nfs/dbraw/zinc/41/82/94/771418294.db2.gz WSNYZMYTKJETMR-UHFFFAOYSA-N 1 0 304.734 1.047 20 5 DDBDRO O=[N+]([O-])c1cc(Cl)c(Cl)nc1N[C@H]1C[NH2+]C[C@H]1CO ZINC001159671714 771818871 /nfs/dbraw/zinc/81/88/71/771818871.db2.gz LCJRTXYPPVVTKK-FSPLSTOPSA-N 1 0 307.137 1.289 20 5 DDBDRO COc1nc(N[C@H]2CC[NH2+]C[C@@H]2C(F)(F)F)ncc1[N+](=O)[O-] ZINC001160733438 772651537 /nfs/dbraw/zinc/65/15/37/772651537.db2.gz WFFFYBILNQCOQS-BQBZGAKWSA-N 1 0 321.259 1.346 20 5 DDBDRO O=C(C[NH+]1CCCC1)NCCCNc1ncccc1[N+](=O)[O-] ZINC001094434516 775858178 /nfs/dbraw/zinc/85/81/78/775858178.db2.gz LAUNORBTQKXVMK-UHFFFAOYSA-N 1 0 307.354 1.004 20 5 DDBDRO C[NH+](C)CC1(C(=O)NCCCNc2ccccc2[N+](=O)[O-])CC1 ZINC001094737091 776239264 /nfs/dbraw/zinc/23/92/64/776239264.db2.gz WLLNJKKGLJMAAX-UHFFFAOYSA-N 1 0 320.393 1.855 20 5 DDBDRO CC(C)[C@H]([NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1)C(N)=O ZINC001172902307 776916016 /nfs/dbraw/zinc/91/60/16/776916016.db2.gz WZQJXNKXTCKZEG-ZFWWWQNUSA-N 1 0 305.378 1.942 20 5 DDBDRO O=C1C[N@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCCN1 ZINC001172906400 776917054 /nfs/dbraw/zinc/91/70/54/776917054.db2.gz XQBSTTHIZSYPLK-CQSZACIVSA-N 1 0 303.362 1.664 20 5 DDBDRO CCCN(CCNC(=O)CC[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC001101228733 776999714 /nfs/dbraw/zinc/99/97/14/776999714.db2.gz PEUYEWNITDWUCA-UHFFFAOYSA-N 1 0 322.409 1.879 20 5 DDBDRO COC(=O)CC[NH2+][C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173187702 777036250 /nfs/dbraw/zinc/03/62/50/777036250.db2.gz FPXDMJRQXVVHDK-VIFPVBQESA-N 1 0 314.313 1.826 20 5 DDBDRO Cc1cc(NCCN(C)C(=O)C[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC001101633248 777328571 /nfs/dbraw/zinc/32/85/71/777328571.db2.gz GNWVDCKZKBHGFG-UHFFFAOYSA-N 1 0 320.393 1.869 20 5 DDBDRO Cc1ccc(NCCN(C)C(=O)C[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC001101633349 777328935 /nfs/dbraw/zinc/32/89/35/777328935.db2.gz MNYHKDHJNMGIMV-UHFFFAOYSA-N 1 0 320.393 1.869 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2nc3c(s2)CCCC3)c1 ZINC001178064737 778846448 /nfs/dbraw/zinc/84/64/48/778846448.db2.gz ZVTWBJAHLDPUMG-UHFFFAOYSA-N 1 0 307.379 1.916 20 5 DDBDRO COc1cc(C[NH2+]CCC[C@H]2CCOC2=O)c([N+](=O)[O-])cc1O ZINC001179511859 779403224 /nfs/dbraw/zinc/40/32/24/779403224.db2.gz HUVYCJWAGZTGFC-JTQLQIEISA-N 1 0 324.333 1.742 20 5 DDBDRO NC(=O)C[C@H]1CCC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001116491562 780514752 /nfs/dbraw/zinc/51/47/52/780514752.db2.gz UITGZBNXQJEUAI-BXUZGUMPSA-N 1 0 307.350 1.216 20 5 DDBDRO Cn1c(C(=O)N[C@@H]2[C@H]3CCC[NH2+][C@H]3C2(C)C)ccc1[N+](=O)[O-] ZINC001119363623 781420781 /nfs/dbraw/zinc/42/07/81/781420781.db2.gz QTIOBBRUIINADF-ZWKOPEQDSA-N 1 0 306.366 1.440 20 5 DDBDRO O=C(NC[C@H]1C[NH2+]CCC1(F)F)c1ccc([N+](=O)[O-])cc1F ZINC001119382905 781429900 /nfs/dbraw/zinc/42/99/00/781429900.db2.gz RTJAAHGWBIJSJJ-MRVPVSSYSA-N 1 0 317.267 1.709 20 5 DDBDRO C[NH2+]CCOCCNC(=O)c1cc([N+](=O)[O-])ccc1SC ZINC001342303922 839596304 /nfs/dbraw/zinc/59/63/04/839596304.db2.gz YAWZLTSRGVWLKC-UHFFFAOYSA-N 1 0 313.379 1.283 20 5 DDBDRO O=C(NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc[nH]1 ZINC001154562714 861223819 /nfs/dbraw/zinc/22/38/19/861223819.db2.gz JJSYTHZFONEUOU-UHFFFAOYSA-N 1 0 302.334 1.833 20 5 DDBDRO O=C([C@@H]1C[C@@]12CCC[NH2+]C2)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001326784629 861608854 /nfs/dbraw/zinc/60/88/54/861608854.db2.gz XMMTWUYPGRFJTA-DOTOQJQBSA-N 1 0 315.373 1.869 20 5 DDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC001326831869 861642105 /nfs/dbraw/zinc/64/21/05/861642105.db2.gz BUPRVMHNCAXOBH-WDEREUQCSA-N 1 0 306.366 1.836 20 5 DDBDRO O=[N+]([O-])c1cnc(-n2cncc2C2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC001155052954 861683015 /nfs/dbraw/zinc/68/30/15/861683015.db2.gz ISQPEEOLUHPLRQ-UHFFFAOYSA-N 1 0 318.293 1.551 20 5 DDBDRO [NH3+][C@H]1COC[C@H]1Nc1nc2ccccc2c(Cl)c1[N+](=O)[O-] ZINC001155345878 861979665 /nfs/dbraw/zinc/97/96/65/861979665.db2.gz MFNXTJDBVHARPJ-WCBMZHEXSA-N 1 0 308.725 1.934 20 5 DDBDRO COC(=O)[C@@H](Nc1nc(C)cc(Cl)c1[N+](=O)[O-])C(C)(C)[NH3+] ZINC001155369226 862002433 /nfs/dbraw/zinc/00/24/33/862002433.db2.gz QVYMNVVOGONBMP-SECBINFHSA-N 1 0 316.745 1.642 20 5 DDBDRO O=[N+]([O-])c1cc(Cl)cnc1NCc1nnn2c1C[NH2+]CCC2 ZINC001155389214 862028154 /nfs/dbraw/zinc/02/81/54/862028154.db2.gz DHGDRBCXEUHNNY-UHFFFAOYSA-N 1 0 323.744 1.340 20 5 DDBDRO Cc1nc(Cl)nc(N[C@@H]2COCCC23C[NH2+]C3)c1[N+](=O)[O-] ZINC001155461371 862111664 /nfs/dbraw/zinc/11/16/64/862111664.db2.gz CUHUNZCVHZRINI-MRVPVSSYSA-N 1 0 313.745 1.137 20 5 DDBDRO O=[N+]([O-])c1ccc2ccc(N[C@@H]3COCCC34C[NH2+]C4)nc2c1 ZINC001155463225 862113716 /nfs/dbraw/zinc/11/37/16/862113716.db2.gz WTWDPWABKFEXQK-CQSZACIVSA-N 1 0 314.345 1.933 20 5 DDBDRO O=[N+]([O-])c1cc(N[C@H]2COCCC23C[NH2+]C3)nc2[nH]ccc21 ZINC001155468261 862118418 /nfs/dbraw/zinc/11/84/18/862118418.db2.gz KIXGCXLKIYICOI-NSHDSACASA-N 1 0 303.322 1.262 20 5 DDBDRO COc1nc(NC[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)ccc1[N+](=O)[O-] ZINC001155591927 862264596 /nfs/dbraw/zinc/26/45/96/862264596.db2.gz LGVNTGZVYAHNBI-ABAIWWIYSA-N 1 0 322.365 1.569 20 5 DDBDRO COC(=O)c1cnc(NCCn2ccnc2C)c([N+](=O)[O-])c1 ZINC001156006943 862625936 /nfs/dbraw/zinc/62/59/36/862625936.db2.gz HEFJVYBJDIBCAX-UHFFFAOYSA-N 1 0 305.294 1.393 20 5 DDBDRO CCn1cccc1C(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001151190389 862668039 /nfs/dbraw/zinc/66/80/39/862668039.db2.gz MFNXTGUGOIZNHQ-UHFFFAOYSA-N 1 0 316.361 1.936 20 5 DDBDRO O=[N+]([O-])c1cc[n+]([O-])c(N2CC[NH2+]C[C@@H]2c2cccs2)c1 ZINC001156089821 862714806 /nfs/dbraw/zinc/71/48/06/862714806.db2.gz TUSFMAQYXULKMT-LLVKDONJSA-N 1 0 306.347 1.441 20 5 DDBDRO C[NH+](C)C[C@@]12C[C@@H]1CN(c1cnc3cc([N+](=O)[O-])ccc3n1)C2 ZINC001156375762 862985591 /nfs/dbraw/zinc/98/55/91/862985591.db2.gz IQSBSAROTUHWJB-BDJLRTHQSA-N 1 0 313.361 1.926 20 5 DDBDRO CC1(NC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC001121938403 858639592 /nfs/dbraw/zinc/63/95/92/858639592.db2.gz VBCFDLQUHIIQNE-UONOGXRCSA-N 1 0 303.362 1.957 20 5 DDBDRO O=C(COc1cccc([N+](=O)[O-])c1)NC[C@H]1CCC[NH2+]CC1 ZINC001122587516 858900466 /nfs/dbraw/zinc/90/04/66/858900466.db2.gz ORALUKBKBZXUOI-LBPRGKRZSA-N 1 0 307.350 1.480 20 5 DDBDRO COc1ccccc1OCCOC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001224405899 881376417 /nfs/dbraw/zinc/37/64/17/881376417.db2.gz YQHQQYWGBGBPMN-CYBMUJFWSA-N 1 0 312.386 1.074 20 5 DDBDRO COc1ccc(NC(=O)NCc2cncn2C)c([N+](=O)[O-])c1 ZINC001123377565 859202964 /nfs/dbraw/zinc/20/29/64/859202964.db2.gz SVSOCIRJUVWPAP-UHFFFAOYSA-N 1 0 305.294 1.659 20 5 DDBDRO Cc1ccc(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])n1C ZINC001123497105 859261856 /nfs/dbraw/zinc/26/18/56/859261856.db2.gz JLGDEDYPCUSFSN-UHFFFAOYSA-N 1 0 316.361 1.761 20 5 DDBDRO Cc1ncc(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])[nH]1 ZINC001124825203 859821762 /nfs/dbraw/zinc/82/17/62/859821762.db2.gz OEBFGHWVHPUYJA-UHFFFAOYSA-N 1 0 303.322 1.146 20 5 DDBDRO COc1nc(N[C@H]2CC[N@@H+](C3CCC3)C2)nc(OC)c1[N+](=O)[O-] ZINC001161177734 859979371 /nfs/dbraw/zinc/97/93/71/859979371.db2.gz SMGNFEVBFCHPOB-VIFPVBQESA-N 1 0 323.353 1.441 20 5 DDBDRO CC[NH+](CC)CCOCCNC(=O)c1cc([N+](=O)[O-])cc(C)n1 ZINC001138104313 860008648 /nfs/dbraw/zinc/00/86/48/860008648.db2.gz RZRVNZPCCQOKGE-UHFFFAOYSA-N 1 0 324.381 1.386 20 5 DDBDRO C[C@H](C[N+](C)(C)C)OC[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001224960974 881611076 /nfs/dbraw/zinc/61/10/76/881611076.db2.gz JHZZWUFKHMWSLX-AEFFLSMTSA-N 1 0 307.458 1.999 20 5 DDBDRO CSCCC(=O)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001154437847 861104144 /nfs/dbraw/zinc/10/41/44/861104144.db2.gz HUYKHPIWZYOAOQ-UHFFFAOYSA-N 1 0 311.407 1.944 20 5 DDBDRO COc1nc(-n2ccc3cc(C[NH3+])cnc32)ncc1[N+](=O)[O-] ZINC001156594016 863174490 /nfs/dbraw/zinc/17/44/90/863174490.db2.gz UURJLFYSKWHUTA-UHFFFAOYSA-N 1 0 300.278 1.191 20 5 DDBDRO COC(=O)c1cnc(N(C)[C@@]2(C)CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001156957157 863476187 /nfs/dbraw/zinc/47/61/87/863476187.db2.gz SXPDRNJHKDNTST-AWEZNQCLSA-N 1 0 308.338 1.355 20 5 DDBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N(C)[C@@]2(C)CCC[NH2+]C2)n1 ZINC001156977352 863492738 /nfs/dbraw/zinc/49/27/38/863492738.db2.gz SCVCJEYEJWKXJY-AWEZNQCLSA-N 1 0 322.369 1.230 20 5 DDBDRO COC(=O)[C@@H](CCC[NH3+])Nc1cc([N+](=O)[O-])cc(Cl)n1 ZINC001157114165 863591956 /nfs/dbraw/zinc/59/19/56/863591956.db2.gz BXVPVDIRBVYIPH-MRVPVSSYSA-N 1 0 302.718 1.336 20 5 DDBDRO Cc1ccc(C)c(C[NH2+]CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC001157760341 864111096 /nfs/dbraw/zinc/11/10/96/864111096.db2.gz CWYRIYCQZNIGBE-HUUCEWRRSA-N 1 0 305.378 1.565 20 5 DDBDRO CSc1nc(Cl)nc(N2CC[C@@](F)(C[NH3+])C2)c1[N+](=O)[O-] ZINC001157817320 864167768 /nfs/dbraw/zinc/16/77/68/864167768.db2.gz KVCCPKPPAIDNJF-SNVBAGLBSA-N 1 0 321.765 1.637 20 5 DDBDRO [NH3+][C@H]1CCc2nn(-c3ncnc4ccc([N+](=O)[O-])cc43)cc2C1 ZINC001157988034 864335086 /nfs/dbraw/zinc/33/50/86/864335086.db2.gz JVRMEPSUUVFSOP-JTQLQIEISA-N 1 0 310.317 1.540 20 5 DDBDRO Cc1nc(CC[NH3+])nn1-c1nc(Cl)nc(Cl)c1[N+](=O)[O-] ZINC001158128477 864446113 /nfs/dbraw/zinc/44/61/13/864446113.db2.gz IDQWHEXCLFPGJF-UHFFFAOYSA-N 1 0 318.124 1.082 20 5 DDBDRO CCOC(=O)c1ccnc(-n2c(C)cnc2C[NH3+])c1[N+](=O)[O-] ZINC001158169522 864466855 /nfs/dbraw/zinc/46/68/55/864466855.db2.gz NKHAHFIQBKIHBD-UHFFFAOYSA-N 1 0 305.294 1.119 20 5 DDBDRO [NH3+]Cc1cccc2c1cnn2-c1ncc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001158307797 864564583 /nfs/dbraw/zinc/56/45/83/864564583.db2.gz JFZYVFJMAYTWEA-UHFFFAOYSA-N 1 0 314.261 1.696 20 5 DDBDRO Cc1nc(NCc2ncn3c2C[NH2+]CCC3)ccc1[N+](=O)[O-] ZINC001158356320 864600625 /nfs/dbraw/zinc/60/06/25/864600625.db2.gz QUPXDYFKZGUVEX-UHFFFAOYSA-N 1 0 302.338 1.600 20 5 DDBDRO [NH3+]Cc1cnnn1-c1nc(Cl)nc2ccc([N+](=O)[O-])cc21 ZINC001158420768 864643837 /nfs/dbraw/zinc/64/38/37/864643837.db2.gz ZNBKNZVTJKLMGD-UHFFFAOYSA-N 1 0 305.685 1.231 20 5 DDBDRO C[C@@]1(C[NH3+])CCCN(c2cc([N+](=O)[O-])cc(Cl)[n+]2[O-])C1 ZINC001158678100 864805203 /nfs/dbraw/zinc/80/52/03/864805203.db2.gz BVBVISWKIPBIFT-LBPRGKRZSA-N 1 0 300.746 1.447 20 5 DDBDRO CO[C@@H]1CN(c2cc(C)c3cc([N+](=O)[O-])ccc3n2)C[C@@H]1[NH3+] ZINC001158705149 864829414 /nfs/dbraw/zinc/82/94/14/864829414.db2.gz BSJIGLFQLNZIPR-GXTWGEPZSA-N 1 0 302.334 1.614 20 5 DDBDRO C[C@@H](Nc1ncc([N+](=O)[O-])c2ccccc21)[C@H]1C[NH2+]CCO1 ZINC001159497978 865349889 /nfs/dbraw/zinc/34/98/89/865349889.db2.gz PWVLVIOKFAXAHW-QMTHXVAHSA-N 1 0 302.334 1.932 20 5 DDBDRO CCOC(=O)CN(CC[NH3+])c1nccc2cc([N+](=O)[O-])ccc21 ZINC001159866726 865571019 /nfs/dbraw/zinc/57/10/19/865571019.db2.gz ZAVQHVIKUSGGIN-UHFFFAOYSA-N 1 0 318.333 1.471 20 5 DDBDRO O=C(CCn1cc([N+](=O)[O-])cn1)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC001332123892 865596434 /nfs/dbraw/zinc/59/64/34/865596434.db2.gz ZLRNINQNTWLHKQ-OAHLLOKOSA-N 1 0 321.381 1.174 20 5 DDBDRO COc1ncnc(N2c3ccccc3OC[C@@H]2C[NH3+])c1[N+](=O)[O-] ZINC001160201139 865724925 /nfs/dbraw/zinc/72/49/25/865724925.db2.gz VPYLZAZHQKXJRP-VIFPVBQESA-N 1 0 317.305 1.251 20 5 DDBDRO O=C(NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccsn1 ZINC001160697801 866042579 /nfs/dbraw/zinc/04/25/79/866042579.db2.gz HQJOQFWLNCRXTF-UHFFFAOYSA-N 1 0 320.374 1.961 20 5 DDBDRO CN(C)[C@@H]1CCCC[C@@H]1[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC001332981828 866308592 /nfs/dbraw/zinc/30/85/92/866308592.db2.gz PIMSAEHWNHVDOJ-CXTZMWEQSA-N 1 0 307.398 1.957 20 5 DDBDRO COc1c(C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)cccc1[N+](=O)[O-] ZINC001321043545 867257735 /nfs/dbraw/zinc/25/77/35/867257735.db2.gz SSDMQDCDWKYZBJ-LBPRGKRZSA-N 1 0 319.361 1.914 20 5 DDBDRO O=C([C@@H](O)c1cccc([N+](=O)[O-])c1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001324437767 867280905 /nfs/dbraw/zinc/28/09/05/867280905.db2.gz BXZIUFYWYHXUNM-GJZGRUSLSA-N 1 0 319.361 1.325 20 5 DDBDRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001324531653 867336386 /nfs/dbraw/zinc/33/63/86/867336386.db2.gz DRLIMARRAKRHLV-RDBSUJKOSA-N 1 0 308.334 1.560 20 5 DDBDRO Cc1nnc(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)n1C ZINC001321282525 867458417 /nfs/dbraw/zinc/45/84/17/867458417.db2.gz KFJMGKGBHCNKEN-NWDGAFQWSA-N 1 0 319.369 1.502 20 5 DDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC001324697971 867459730 /nfs/dbraw/zinc/45/97/30/867459730.db2.gz PNYFIBGYZCYDMM-QWRGUYRKSA-N 1 0 304.350 1.318 20 5 DDBDRO COc1nc(SC)nc(NC[C@H]2C[NH2+][C@H](C)C2)c1[N+](=O)[O-] ZINC001162552668 867634082 /nfs/dbraw/zinc/63/40/82/867634082.db2.gz NKXKZUQBIHGUJY-HTQZYQBOSA-N 1 0 313.383 1.525 20 5 DDBDRO CCOC(=O)c1cc(N[C@@H]2C[NH2+][C@@H]3COC[C@H]23)ccc1[N+](=O)[O-] ZINC001163147266 868158478 /nfs/dbraw/zinc/15/84/78/868158478.db2.gz LTVPFKYXURFWLU-JHJVBQTASA-N 1 0 321.333 1.170 20 5 DDBDRO O=[N+]([O-])c1ccc(Cl)nc1NC[C@H]1OC[C@H]2C[NH2+]CC[C@H]21 ZINC001163172059 868186141 /nfs/dbraw/zinc/18/61/41/868186141.db2.gz PWJMAFJWRHPQNT-FXPVBKGRSA-N 1 0 312.757 1.680 20 5 DDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC[C@@H](C)[NH2+]C ZINC001325627972 868195383 /nfs/dbraw/zinc/19/53/83/868195383.db2.gz PMTVGUSKKTZMKH-SNVBAGLBSA-N 1 0 322.365 1.210 20 5 DDBDRO O=C1C[C@@H]2[NH2+]CC[C@]2(Nc2ccc3cc([N+](=O)[O-])ccc3n2)N1 ZINC001163239287 868246139 /nfs/dbraw/zinc/24/61/39/868246139.db2.gz QCTBYJKJMXDMAD-WFASDCNBSA-N 1 0 313.317 1.133 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(N[C@H]2CCO[C@]3(CC[NH2+]C3)C2)n1 ZINC001163305807 868330620 /nfs/dbraw/zinc/33/06/20/868330620.db2.gz OUPFAQQLNDCQOX-IINYFYTJSA-N 1 0 308.338 1.321 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(N[C@H]2CCO[C@@]3(CC[NH2+]C3)C2)n1 ZINC001163305805 868331747 /nfs/dbraw/zinc/33/17/47/868331747.db2.gz OUPFAQQLNDCQOX-HZMBPMFUSA-N 1 0 308.338 1.321 20 5 DDBDRO COc1nc(N[C@H]2CCO[C@]3(CC[NH2+]C3)C2)nc(C)c1[N+](=O)[O-] ZINC001163312898 868342171 /nfs/dbraw/zinc/34/21/71/868342171.db2.gz WHLXBTXBLZXRFA-IINYFYTJSA-N 1 0 323.353 1.025 20 5 DDBDRO O=[N+]([O-])c1cnc2cccc(N[C@@H]3CCO[C@]4(CC[NH2+]C4)C3)n21 ZINC001163333360 868364754 /nfs/dbraw/zinc/36/47/54/868364754.db2.gz RCXHHYGSIMFATC-IAQYHMDHSA-N 1 0 317.349 1.566 20 5 DDBDRO CC1(C)C[NH2+]C[C@H]1NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC001336048603 868700576 /nfs/dbraw/zinc/70/05/76/868700576.db2.gz LYFQNLXHWGGSSH-CYBMUJFWSA-N 1 0 306.366 1.435 20 5 DDBDRO COc1c([N+](=O)[O-])cc(Cl)c(C)c1N(CC[NH3+])CCO ZINC001163836730 868745834 /nfs/dbraw/zinc/74/58/34/868745834.db2.gz HJGQMADGKUDEHA-UHFFFAOYSA-N 1 0 303.746 1.323 20 5 DDBDRO Cn1nnnc1C1CCN(Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC001336843046 869178517 /nfs/dbraw/zinc/17/85/17/869178517.db2.gz QKSZHHLAVVEVMI-UHFFFAOYSA-N 1 0 320.328 1.637 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC001337112009 869328176 /nfs/dbraw/zinc/32/81/76/869328176.db2.gz CGFKHVVRXFNWIU-JTQLQIEISA-N 1 0 313.304 1.878 20 5 DDBDRO Nc1cc([N+](=O)[O-])cnc1N1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001164613635 869329180 /nfs/dbraw/zinc/32/91/80/869329180.db2.gz ZYMNNFYBAFNSNX-CYBMUJFWSA-N 1 0 313.361 1.593 20 5 DDBDRO O=[N+]([O-])c1cnc(Cl)cc1N1CCO[C@@H]2C[NH2+]CC[C@@H]2C1 ZINC001165288852 869498977 /nfs/dbraw/zinc/49/89/77/869498977.db2.gz VDUZPOKKCSXHBH-BXKDBHETSA-N 1 0 312.757 1.458 20 5 DDBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CCCCC12CC[NH2+]CC2 ZINC001165339291 869526714 /nfs/dbraw/zinc/52/67/14/869526714.db2.gz VDSDCWAHXQOMDY-UHFFFAOYSA-N 1 0 306.366 1.649 20 5 DDBDRO Cc1cc(CN2CCCN(c3ccc([N+](=O)[O-])cn3)CC2)no1 ZINC001338130790 869820813 /nfs/dbraw/zinc/82/08/13/869820813.db2.gz FSYHBUIWHWYYKS-UHFFFAOYSA-N 1 0 317.349 1.999 20 5 DDBDRO [NH3+]CCc1nccn1-c1ncc(F)c2cc([N+](=O)[O-])ccc21 ZINC001166299852 869946517 /nfs/dbraw/zinc/94/65/17/869946517.db2.gz TWSRWDCEWBVPHK-UHFFFAOYSA-N 1 0 301.281 1.969 20 5 DDBDRO CC(C)N(CC1CC1)c1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001166619024 870102113 /nfs/dbraw/zinc/10/21/13/870102113.db2.gz QAQWGBCMECHWDL-UHFFFAOYSA-N 1 0 320.397 1.419 20 5 DDBDRO CCOc1cnc(NC2(C(=O)OC)CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC001166922805 870379503 /nfs/dbraw/zinc/37/95/03/870379503.db2.gz INJGXTGHPVSURX-UHFFFAOYSA-N 1 0 324.337 1.096 20 5 DDBDRO COc1ccc(C(=O)N[C@@H]2CC[C@H]3C[N@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC001339318229 870444097 /nfs/dbraw/zinc/44/40/97/870444097.db2.gz SPVRSVWKEFGSQB-RWMBFGLXSA-N 1 0 319.361 1.673 20 5 DDBDRO Nc1c(C(=O)NCc2ccc3c[nH+]cn3c2)cccc1[N+](=O)[O-] ZINC001299120586 870908016 /nfs/dbraw/zinc/90/80/16/870908016.db2.gz DOSPPOYLEMMYTP-UHFFFAOYSA-N 1 0 311.301 1.755 20 5 DDBDRO CC(C)[C@H]1CN(C(=O)c2[nH]nc([N+](=O)[O-])c2Cl)CC[N@@H+]1C ZINC001302600323 871074661 /nfs/dbraw/zinc/07/46/61/871074661.db2.gz AYBYDPBOJBLTRN-MRVPVSSYSA-N 1 0 315.761 1.384 20 5 DDBDRO CC(C)OCC(=O)NCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001317440781 871310934 /nfs/dbraw/zinc/31/09/34/871310934.db2.gz PLHLAHFPYPEQDT-UHFFFAOYSA-N 1 0 309.366 1.568 20 5 DDBDRO CC[C@H]([NH2+]C[C@@H](O)C[C@@]1(O)CCOC1)c1cccc([N+](=O)[O-])c1 ZINC001307634089 871444964 /nfs/dbraw/zinc/44/49/64/871444964.db2.gz YBNVOWIYDOUCGU-JYJNAYRXSA-N 1 0 324.377 1.538 20 5 DDBDRO O=C(NCC[C@@H]1CSCC[NH2+]1)c1cc(F)ccc1[N+](=O)[O-] ZINC001341146490 871527306 /nfs/dbraw/zinc/52/73/06/871527306.db2.gz DCWJGYFEYBFKQK-SNVBAGLBSA-N 1 0 313.354 1.559 20 5 DDBDRO C[NH+](C)CCCS(=O)(=O)Oc1cc(C=O)ccc1[N+](=O)[O-] ZINC001309115041 871550857 /nfs/dbraw/zinc/55/08/57/871550857.db2.gz LGZWSFXRWROXEB-UHFFFAOYSA-N 1 0 316.335 1.068 20 5 DDBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@@H]1[NH2+]CC12CCOCC2 ZINC001341292855 871595865 /nfs/dbraw/zinc/59/58/65/871595865.db2.gz RHFQUPVJFWAWGN-AWEZNQCLSA-N 1 0 319.361 1.022 20 5 DDBDRO COc1ccc(C(=O)N2CC[C@]3(C2)CCCC[NH2+]3)cc1[N+](=O)[O-] ZINC001341339403 871612808 /nfs/dbraw/zinc/61/28/08/871612808.db2.gz OSRSHWAEFGTKOT-INIZCTEOSA-N 1 0 319.361 1.962 20 5 DDBDRO C[C@@H](CNC(=O)CO[C@@H]1CCC[NH2+]C1)c1ccccc1[N+](=O)[O-] ZINC001341428700 871657069 /nfs/dbraw/zinc/65/70/69/871657069.db2.gz LPRCGUDWCLFJQY-QWHCGFSZSA-N 1 0 321.377 1.583 20 5 DDBDRO O=C(COc1cccc([N+](=O)[O-])c1)N1CCC[C@]12CC[NH2+]C2 ZINC001341499909 871684082 /nfs/dbraw/zinc/68/40/82/871684082.db2.gz RBJONJLQFFOOHP-OAHLLOKOSA-N 1 0 305.334 1.328 20 5 DDBDRO COc1cccc(C(=O)N2C[C@@H](C)[C@H](CC[NH3+])C2)c1[N+](=O)[O-] ZINC001342450198 872216923 /nfs/dbraw/zinc/21/69/23/872216923.db2.gz XMEPMJABOPQELS-GHMZBOCLSA-N 1 0 307.350 1.660 20 5 DDBDRO [NH3+][C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)CC[C@H]1C(F)(F)F ZINC001342490831 872234575 /nfs/dbraw/zinc/23/45/75/872234575.db2.gz ASOLXJGDQBRGIO-MNOVXSKESA-N 1 0 317.267 1.947 20 5 DDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC001318812831 872284562 /nfs/dbraw/zinc/28/45/62/872284562.db2.gz GKXFWXGWZHEBPG-NSHDSACASA-N 1 0 306.366 1.708 20 5 DDBDRO O=C(CNc1ccccc1[N+](=O)[O-])NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC001342678242 872332575 /nfs/dbraw/zinc/33/25/75/872332575.db2.gz ALLUFGJDZIQILS-GDBMZVCRSA-N 1 0 318.377 1.655 20 5 DDBDRO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)c3n[nH]cc3[N+](=O)[O-])C[C@@H]2C1 ZINC001345233549 873315858 /nfs/dbraw/zinc/31/58/58/873315858.db2.gz GYQSDVGYYZCEDF-OUAUKWLOSA-N 1 0 307.354 1.120 20 5 DDBDRO COc1ccc(CC(=O)NC[C@@H]2CCCCC[NH2+]2)cc1[N+](=O)[O-] ZINC001345536129 873433672 /nfs/dbraw/zinc/43/36/72/873433672.db2.gz KXOQOBCVEXSRHD-ZDUSSCGKSA-N 1 0 321.377 1.794 20 5 DDBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1Nc1ccc2ncc([N+](=O)[O-])n2n1 ZINC001348031229 874339318 /nfs/dbraw/zinc/33/93/18/874339318.db2.gz IQROKTLJSHSKOU-MWLCHTKSSA-N 1 0 302.338 1.532 20 5 DDBDRO C[C@@H](C(=O)OCc1cn(C)nc1[N+](=O)[O-])[N@H+]1[C@H](C)CC[C@@H]1C ZINC001349972667 875483813 /nfs/dbraw/zinc/48/38/13/875483813.db2.gz WZADWBDAQNETCY-AXFHLTTASA-N 1 0 310.354 1.633 20 5 DDBDRO CC(C)OCCC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001227258981 882939616 /nfs/dbraw/zinc/93/96/16/882939616.db2.gz ZOLVKAQUZLRDGZ-ZIAGYGMSSA-N 1 0 313.398 1.047 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@](O)(C[NH+](C)C)C1 ZINC001350186808 875568418 /nfs/dbraw/zinc/56/84/18/875568418.db2.gz CCEOJZXPXPLJQU-HNNXBMFYSA-N 1 0 307.350 1.042 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)O[C@H](C)CC[NH+]1CCCC1 ZINC001350301943 875620530 /nfs/dbraw/zinc/62/05/30/875620530.db2.gz TVZRJXXZEVJMJW-LLVKDONJSA-N 1 0 310.354 1.517 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001357952199 880263439 /nfs/dbraw/zinc/26/34/39/880263439.db2.gz GPVXZMYJZYJJRC-CYBMUJFWSA-N 1 0 321.377 1.398 20 5 DDBDRO O=C(c1cc([N+](=O)[O-])cc2ccccc21)N1CC[NH2+]C[C@H]1CO ZINC001358030598 880301358 /nfs/dbraw/zinc/30/13/58/880301358.db2.gz WQUAPCJQUOVVOX-ZDUSSCGKSA-N 1 0 315.329 1.154 20 5 DDBDRO C[C@@H](CNC(=O)[C@H]([NH3+])CC(F)F)c1ccccc1[N+](=O)[O-] ZINC001358389397 880418595 /nfs/dbraw/zinc/41/85/95/880418595.db2.gz VSLFPWPKQLSJPU-WCBMZHEXSA-N 1 0 301.293 1.797 20 5 DDBDRO COC(=O)[C@H](O[C@@H]1CCC[N@H+](C)C1)c1ccccc1[N+](=O)[O-] ZINC001223644520 881039207 /nfs/dbraw/zinc/03/92/07/881039207.db2.gz VHJWCLKWPXEDKR-BXUZGUMPSA-N 1 0 308.334 1.920 20 5 DDBDRO COc1cccc(COCC[N@H+]2CC[C@@H](OC)C2)c1[N+](=O)[O-] ZINC001223811884 881107020 /nfs/dbraw/zinc/10/70/20/881107020.db2.gz XDYPEMPDTQQWKD-CYBMUJFWSA-N 1 0 310.350 1.841 20 5 DDBDRO C[N@@H+]1CCC[C@H](Oc2n[nH]c(=O)c3ccc([N+](=O)[O-])cc32)C1 ZINC001229365109 883947299 /nfs/dbraw/zinc/94/72/99/883947299.db2.gz RDQPMTDMOCXZGN-JTQLQIEISA-N 1 0 304.306 1.717 20 5 DDBDRO CCc1c(OC(=O)C[C@@H](O)C[N+](C)(C)C)cccc1C(=O)OC ZINC001230363364 884447061 /nfs/dbraw/zinc/44/70/61/884447061.db2.gz XDNLKDBAOZNRRD-GFCCVEGCSA-N 1 0 324.397 1.398 20 5 DDBDRO COc1cc(N2CCC(N(C)C[C@H](C)[NH3+])CC2)ccc1[N+](=O)[O-] ZINC001246982464 893055264 /nfs/dbraw/zinc/05/52/64/893055264.db2.gz VRQPYLAFZWSKDS-LBPRGKRZSA-N 1 0 322.409 1.851 20 5 DDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1COCCC12OCCO2 ZINC001254538370 896494503 /nfs/dbraw/zinc/49/45/03/896494503.db2.gz TVXZEBGMOIIWEF-WFASDCNBSA-N 1 0 322.361 1.647 20 5 DDBDRO CC(=O)N1CC[C@@H](C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001254543688 896496696 /nfs/dbraw/zinc/49/66/96/896496696.db2.gz FWMDNTXLEBQAGI-OCCSQVGLSA-N 1 0 305.378 1.984 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]Cc1cn3cccnc3n1)C2 ZINC001254566092 896506062 /nfs/dbraw/zinc/50/60/62/896506062.db2.gz HQGPYPUNJLRDKD-CYBMUJFWSA-N 1 0 309.329 1.895 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]CCN1CCC(O)CC1)C2 ZINC001254576779 896510662 /nfs/dbraw/zinc/51/06/62/896510662.db2.gz YZJFTRMRHYVRIV-AWEZNQCLSA-N 1 0 305.378 1.108 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]C1CN(c3ncccn3)C1)C2 ZINC001254578094 896510681 /nfs/dbraw/zinc/51/06/81/896510681.db2.gz JCMZPEVPFHHIGA-ZDUSSCGKSA-N 1 0 311.345 1.330 20 5 DDBDRO COC(=O)[C@@H](CCCC[NH3+])N[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254576898 896511626 /nfs/dbraw/zinc/51/16/26/896511626.db2.gz APCOTOQXFZVYHD-UKRRQHHQSA-N 1 0 321.377 1.322 20 5 DDBDRO NC(=O)c1ccccc1C[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254580832 896512683 /nfs/dbraw/zinc/51/26/83/896512683.db2.gz GIWVBGAVDXYCBO-AWEZNQCLSA-N 1 0 311.341 1.951 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]C1CN(c3ccccn3)C1)C2 ZINC001254586954 896518094 /nfs/dbraw/zinc/51/80/94/896518094.db2.gz UGMKGOHVNIRBTJ-CQSZACIVSA-N 1 0 310.357 1.935 20 5 DDBDRO COC(=O)C1CC[NH+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254594794 896520757 /nfs/dbraw/zinc/52/07/57/896520757.db2.gz STPYTKVZHUHUTA-HNNXBMFYSA-N 1 0 304.346 1.947 20 5 DDBDRO C[N@H+](CCN1CCOCC1)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254599663 896523928 /nfs/dbraw/zinc/52/39/28/896523928.db2.gz OFHWZAYEFUHVMX-INIZCTEOSA-N 1 0 305.378 1.326 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CCCC3(C1)OCCO3)C2 ZINC001254602382 896526344 /nfs/dbraw/zinc/52/63/44/896526344.db2.gz FEYNJGRFGKTPLU-OAHLLOKOSA-N 1 0 304.346 1.901 20 5 DDBDRO C[NH+](C)C[C@@H]1COCCN1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254606863 896527846 /nfs/dbraw/zinc/52/78/46/896527846.db2.gz ISMVAIXCLXSZEI-HZPDHXFCSA-N 1 0 305.378 1.324 20 5 DDBDRO CNC(=O)NC1CC[NH+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254611967 896533541 /nfs/dbraw/zinc/53/35/41/896533541.db2.gz UEIFZJUNIPUFNW-HNNXBMFYSA-N 1 0 318.377 1.455 20 5 DDBDRO C[NH2+]C[C@@H](C)CNC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC001261491691 899606757 /nfs/dbraw/zinc/60/67/57/899606757.db2.gz CTWXQTZXUIKLIR-MRVPVSSYSA-N 1 0 310.310 1.397 20 5 DDBDRO O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001261510243 899612509 /nfs/dbraw/zinc/61/25/09/899612509.db2.gz SCMLMINJMVXOKP-AWEZNQCLSA-N 1 0 321.352 1.973 20 5 DDBDRO C[C@@H]1SCC[C@H]1[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC001262576294 900256726 /nfs/dbraw/zinc/25/67/26/900256726.db2.gz MICDPXPTWGJAKZ-SDDRHHMPSA-N 1 0 312.391 1.818 20 5 DDBDRO C[C@@H]1C[NH2+]C[C@H]1NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001262590481 900266390 /nfs/dbraw/zinc/26/63/90/900266390.db2.gz NFALTPFUYMJDFS-IAQYHMDHSA-N 1 0 318.377 1.877 20 5 DDBDRO C[N@@H+]1C[C@@H]2CN(C(=O)NCc3ccccc3[N+](=O)[O-])C[C@]2(C)C1 ZINC001263067932 900480669 /nfs/dbraw/zinc/48/06/69/900480669.db2.gz ACIKCYSPHOXWOY-CJNGLKHVSA-N 1 0 318.377 1.688 20 5 DDBDRO COc1ccc(CC(=O)NC[C@H]2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC001263322692 900575215 /nfs/dbraw/zinc/57/52/15/900575215.db2.gz TZHYATUIVBXLSV-LBPRGKRZSA-N 1 0 321.377 1.652 20 5 DDBDRO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)[C@H](O)c3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC001263996117 900865202 /nfs/dbraw/zinc/86/52/02/900865202.db2.gz STGZXTBJEIJNCO-CYUUQNCZSA-N 1 0 319.361 1.085 20 5 DDBDRO CC(C)(C)CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001316631068 908416157 /nfs/dbraw/zinc/41/61/57/908416157.db2.gz RIRRWBQEVQFGBW-AAVRWANBSA-N 1 0 311.426 1.962 20 5 DDBDRO C[NH+](C)C1(CNc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCOCC1 ZINC000278518162 214206999 /nfs/dbraw/zinc/20/69/99/214206999.db2.gz SCZQXTOOCKTIFR-UHFFFAOYSA-N 1 0 319.365 1.994 20 5 DDBDRO C[C@H](O)C[N@@H+]1CCN(Cc2c(F)cccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000249478136 282158979 /nfs/dbraw/zinc/15/89/79/282158979.db2.gz AKILFUQAIZUYFN-RYUDHWBXSA-N 1 0 311.357 1.621 20 5 DDBDRO CCc1n[nH]c(C(=O)N(C)[C@@H]2C[NH+]3CCC2CC3)c1[N+](=O)[O-] ZINC000444257502 529465051 /nfs/dbraw/zinc/46/50/51/529465051.db2.gz DKKHMQNZYACXJE-LLVKDONJSA-N 1 0 307.354 1.047 20 5 DDBDRO CC[C@@H](CO)[N@H+](C)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000295611722 529504203 /nfs/dbraw/zinc/50/42/03/529504203.db2.gz DEXGORMKOFCEOI-JTQLQIEISA-N 1 0 315.757 1.889 20 5 DDBDRO Cc1c(C(=O)NC[C@@H]2CCC[N@@H+]2CCCO)cccc1[N+](=O)[O-] ZINC000452353503 231358220 /nfs/dbraw/zinc/35/82/20/231358220.db2.gz UPSHHOQMHJLESM-ZDUSSCGKSA-N 1 0 321.377 1.480 20 5 DDBDRO CC(C)(C)C[N@H+](CCCO)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090529636 185300726 /nfs/dbraw/zinc/30/07/26/185300726.db2.gz RESPYIPAROTNFD-UHFFFAOYSA-N 1 0 311.382 1.487 20 5 DDBDRO CC(C)([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1nccs1 ZINC000090554395 185302590 /nfs/dbraw/zinc/30/25/90/185302590.db2.gz KXTOQAJFOJFZCP-UHFFFAOYSA-N 1 0 308.363 1.738 20 5 DDBDRO CCOC(=O)[C@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090552549 185302667 /nfs/dbraw/zinc/30/26/67/185302667.db2.gz WWEADVNLVZWENF-LBPRGKRZSA-N 1 0 323.349 1.032 20 5 DDBDRO O=C(/C=C\c1cccc([N+](=O)[O-])c1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000255640748 282271766 /nfs/dbraw/zinc/27/17/66/282271766.db2.gz TYDHVVOLCGIPTR-XHPSBEMXSA-N 1 0 301.346 1.915 20 5 DDBDRO CN(CC[NH+]1CCCC1)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444636963 529908319 /nfs/dbraw/zinc/90/83/19/529908319.db2.gz FIUKXZIMGBRIJY-UHFFFAOYSA-N 1 0 303.366 1.999 20 5 DDBDRO C[NH+](C)[C@]1(CNC(=O)c2c(N)cccc2[N+](=O)[O-])CCSC1 ZINC000272655674 282318090 /nfs/dbraw/zinc/31/80/90/282318090.db2.gz NTIFXEMOFJXATK-AWEZNQCLSA-N 1 0 324.406 1.344 20 5 DDBDRO Cn1cc([C@H](CO)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)cn1 ZINC000275185094 282321187 /nfs/dbraw/zinc/32/11/87/282321187.db2.gz NXBGYGUSADBJRB-AWEZNQCLSA-N 1 0 306.322 1.030 20 5 DDBDRO C[N@@H+](Cc1cccnc1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000299352075 530006199 /nfs/dbraw/zinc/00/61/99/530006199.db2.gz AHLWKJXPERRNTK-OAHLLOKOSA-N 1 0 317.345 1.862 20 5 DDBDRO C[NH+]1CCC(CCNc2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000299643214 530049193 /nfs/dbraw/zinc/04/91/93/530049193.db2.gz IIHCTTUTNIMTSU-UHFFFAOYSA-N 1 0 307.354 1.233 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H](O)CC1 ZINC000293025984 282361309 /nfs/dbraw/zinc/36/13/09/282361309.db2.gz FVSVUIIQRSXRBT-STQMWFEESA-N 1 0 310.350 1.181 20 5 DDBDRO CC1=CC[N@H+](CCNc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000358341118 299125320 /nfs/dbraw/zinc/12/53/20/299125320.db2.gz HPTZBMKFADPCQL-UHFFFAOYSA-N 1 0 304.350 1.758 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@H]2CCC[C@@H]([C@@H]3CCOC3)C2)c1 ZINC000341413781 282460148 /nfs/dbraw/zinc/46/01/48/282460148.db2.gz YNNLZBAQFWWXNS-MGPQQGTHSA-N 1 0 308.382 1.976 20 5 DDBDRO Cc1ccc(S(=O)(=O)N[C@H](C)C[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000319987235 290819073 /nfs/dbraw/zinc/81/90/73/290819073.db2.gz GJPWSKWIPLTLEP-NXEZZACHSA-N 1 0 301.368 1.307 20 5 DDBDRO C[C@@H](O)[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000272621874 210023044 /nfs/dbraw/zinc/02/30/44/210023044.db2.gz UVHHPDIMZDTJPU-VXGBXAGGSA-N 1 0 307.350 1.626 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H]([C@H](C)O)C1 ZINC000272609438 210009319 /nfs/dbraw/zinc/00/93/19/210009319.db2.gz SDKVKSJVSJUMLD-STQMWFEESA-N 1 0 321.377 1.935 20 5 DDBDRO CN(CC[NH+](C)C)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000080389650 192154966 /nfs/dbraw/zinc/15/49/66/192154966.db2.gz WWHSFXKCWISMDN-UHFFFAOYSA-N 1 0 306.366 1.803 20 5 DDBDRO CN(CC[NH+](C)C)C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000080398893 192154988 /nfs/dbraw/zinc/15/49/88/192154988.db2.gz UXGZLJXCLAFAFH-UHFFFAOYSA-N 1 0 318.333 1.070 20 5 DDBDRO Cc1c(CC(=O)NCC[N@H+]2CC=CCC2)cccc1[N+](=O)[O-] ZINC000279910599 215228871 /nfs/dbraw/zinc/22/88/71/215228871.db2.gz FJRSNGHWPQYCLV-UHFFFAOYSA-N 1 0 303.362 1.824 20 5 DDBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](C)CN(C)C ZINC000287096373 219309936 /nfs/dbraw/zinc/30/99/36/219309936.db2.gz PUHUPJQZHLMTSS-NEPJUHHUSA-N 1 0 308.382 1.852 20 5 DDBDRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000262871222 186317032 /nfs/dbraw/zinc/31/70/32/186317032.db2.gz VAVUPPDNPLLUPO-SWLSCSKDSA-N 1 0 320.393 1.901 20 5 DDBDRO CO[C@H](C[NH3+])CC(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-] ZINC000262907176 186322717 /nfs/dbraw/zinc/32/27/17/186322717.db2.gz QHRLBSGMUUIWOP-LBPRGKRZSA-N 1 0 324.381 1.185 20 5 DDBDRO CC(C)C[NH+]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000265991251 186351165 /nfs/dbraw/zinc/35/11/65/186351165.db2.gz APBCZZQGJVWTGR-UHFFFAOYSA-N 1 0 305.378 1.938 20 5 DDBDRO Cc1cc(NCCC[N@@H+]2CCC[C@H]2C(N)=O)ncc1[N+](=O)[O-] ZINC000266851792 186359023 /nfs/dbraw/zinc/35/90/23/186359023.db2.gz RFQKWIGISGMCSF-NSHDSACASA-N 1 0 307.354 1.050 20 5 DDBDRO CC[NH+]1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000015256020 352153440 /nfs/dbraw/zinc/15/34/40/352153440.db2.gz HRBKRHPTVMEKPT-UHFFFAOYSA-N 1 0 307.350 1.599 20 5 DDBDRO CNc1ccc(C(=O)NCCC[N@H+](C)CCOC)cc1[N+](=O)[O-] ZINC000041423271 352307250 /nfs/dbraw/zinc/30/72/50/352307250.db2.gz YSBJFTLKGRNYRH-UHFFFAOYSA-N 1 0 324.381 1.335 20 5 DDBDRO C[NH+](C)[C@@H](CNC(=O)Cn1ccc([N+](=O)[O-])n1)c1ccsc1 ZINC000043286503 352364925 /nfs/dbraw/zinc/36/49/25/352364925.db2.gz HLKWKDLIPXALJN-NSHDSACASA-N 1 0 323.378 1.272 20 5 DDBDRO Nc1ccc(C(=O)N2CC[NH+](C3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000045083690 352402853 /nfs/dbraw/zinc/40/28/53/352402853.db2.gz HTCQXJRZDYHTAE-UHFFFAOYSA-N 1 0 318.377 1.877 20 5 DDBDRO CCNC(=O)CC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000072665094 191211473 /nfs/dbraw/zinc/21/14/73/191211473.db2.gz CCOAJPLKMIWBFW-NSHDSACASA-N 1 0 307.354 1.002 20 5 DDBDRO CCC[NH+]1CCN(c2ccc(C(=O)NC)cc2[N+](=O)[O-])CC1 ZINC000053549549 352660290 /nfs/dbraw/zinc/66/02/90/352660290.db2.gz WVYHZNDYXUNZDJ-UHFFFAOYSA-N 1 0 306.366 1.486 20 5 DDBDRO O=C(C[NH+]1CCCC1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000052867558 352629982 /nfs/dbraw/zinc/62/99/82/352629982.db2.gz MFDDQKIEHULQRY-UHFFFAOYSA-N 1 0 318.377 1.339 20 5 DDBDRO CC[NH+](CC)CCNC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000173008015 198176597 /nfs/dbraw/zinc/17/65/97/198176597.db2.gz FKSKDVAFGXOTDL-UHFFFAOYSA-N 1 0 308.382 1.489 20 5 DDBDRO CCOC1CC[NH+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000060485099 352874273 /nfs/dbraw/zinc/87/42/73/352874273.db2.gz SUSLXDOOOGGBIJ-CQSZACIVSA-N 1 0 324.377 1.835 20 5 DDBDRO C[N@@H+](Cc1ccccc1F)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174655784 198365172 /nfs/dbraw/zinc/36/51/72/198365172.db2.gz ASKIYJOPALFYLA-ZDUSSCGKSA-N 1 0 308.313 1.423 20 5 DDBDRO COC1CC[NH+](CCNc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000080250519 353598387 /nfs/dbraw/zinc/59/83/87/353598387.db2.gz IUZXQROAUQBTKC-UHFFFAOYSA-N 1 0 322.365 1.216 20 5 DDBDRO C[NH+]1CCC(O)(CNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000080880768 353633694 /nfs/dbraw/zinc/63/36/94/353633694.db2.gz QSRUPNOJTAQKQQ-AATRIKPKSA-N 1 0 319.361 1.181 20 5 DDBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)C[C@H](O)CN1CCOCC1 ZINC000083245273 353708775 /nfs/dbraw/zinc/70/87/75/353708775.db2.gz ZKFPPDTWCDGLCT-KGLIPLIRSA-N 1 0 323.393 1.281 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000142016684 354143501 /nfs/dbraw/zinc/14/35/01/354143501.db2.gz JSSYBNYWENUBOJ-LBPRGKRZSA-N 1 0 304.350 1.609 20 5 DDBDRO Nc1ccc(C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000142256813 354144341 /nfs/dbraw/zinc/14/43/41/354144341.db2.gz KYJHIUBYIVXTPU-GFCCVEGCSA-N 1 0 304.350 1.487 20 5 DDBDRO Cc1nn(CCC(=O)N2CC[C@H]([NH3+])C[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000237492081 354343046 /nfs/dbraw/zinc/34/30/46/354343046.db2.gz XXNPOHHBURCGFE-CABZTGNLSA-N 1 0 309.370 1.136 20 5 DDBDRO CN(CC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1)c1ccccc1[N+](=O)[O-] ZINC000275811472 354412605 /nfs/dbraw/zinc/41/26/05/354412605.db2.gz VBKDLEZUINEHLT-VXGBXAGGSA-N 1 0 306.366 1.417 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCOC2CCCCC2)c1 ZINC000315533044 354495039 /nfs/dbraw/zinc/49/50/39/354495039.db2.gz KWVCSKYKWUQJTI-CYBMUJFWSA-N 1 0 312.370 1.091 20 5 DDBDRO CC[C@H]1CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000316619992 354504538 /nfs/dbraw/zinc/50/45/38/354504538.db2.gz AUZMHBSPORRILS-GXFFZTMASA-N 1 0 306.366 1.253 20 5 DDBDRO CN(C(=O)Cc1ccc([N+](=O)[O-])cc1F)[C@H]1C[NH+]2CCC1CC2 ZINC000357251963 291033241 /nfs/dbraw/zinc/03/32/41/291033241.db2.gz DPRZCIHXXBTBMQ-HNNXBMFYSA-N 1 0 321.352 1.829 20 5 DDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000320172396 354525479 /nfs/dbraw/zinc/52/54/79/354525479.db2.gz XRTVUDXNOBVYRO-DTWKUNHWSA-N 1 0 301.368 1.307 20 5 DDBDRO Cc1nn(CCC(=O)N[C@](C)(C[NH3+])C(C)C)c(C)c1[N+](=O)[O-] ZINC000236809485 202020128 /nfs/dbraw/zinc/02/01/28/202020128.db2.gz CESCGCFVWRGUKM-CQSZACIVSA-N 1 0 311.386 1.288 20 5 DDBDRO CC[C@H](C[NH+]1CCCC1)Nc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000587979806 354888840 /nfs/dbraw/zinc/88/88/40/354888840.db2.gz STPBMWMGWSAQSL-GFCCVEGCSA-N 1 0 308.382 1.956 20 5 DDBDRO CC[NH+](CC)[C@H]1CCN(c2cc(N)c([N+](=O)[O-])c(CO)c2)C1 ZINC000587988136 354889582 /nfs/dbraw/zinc/88/95/82/354889582.db2.gz GBINSNPZIJUFJV-LBPRGKRZSA-N 1 0 308.382 1.590 20 5 DDBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1c1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000588071920 354899538 /nfs/dbraw/zinc/89/95/38/354899538.db2.gz ZHGIUQBTWVCROV-RISCZKNCSA-N 1 0 320.393 1.732 20 5 DDBDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3F)C2)C1 ZINC000346292086 283058371 /nfs/dbraw/zinc/05/83/71/283058371.db2.gz AZGNKBRZTKIUHA-MRXNPFEDSA-N 1 0 321.352 1.831 20 5 DDBDRO C[NH+](C)C[C@@H](CO)NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000588864660 354944288 /nfs/dbraw/zinc/94/42/88/354944288.db2.gz MAHQLYNNSVMBFI-JTQLQIEISA-N 1 0 323.374 1.462 20 5 DDBDRO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000589574575 355002160 /nfs/dbraw/zinc/00/21/60/355002160.db2.gz BNBTUNTVSHIXCL-MNOVXSKESA-N 1 0 319.365 1.152 20 5 DDBDRO CC[N@@H+]1CCN(Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000589497769 354996671 /nfs/dbraw/zinc/99/66/71/354996671.db2.gz APWFZJLGSMQYJC-LBPRGKRZSA-N 1 0 321.377 1.907 20 5 DDBDRO C[N@H+]1C[C@H]2[C@@H](CCN2CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000590010570 355040132 /nfs/dbraw/zinc/04/01/32/355040132.db2.gz PDPQJENEMDJWFL-FZMZJTMJSA-N 1 0 304.350 1.169 20 5 DDBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000590404094 355086473 /nfs/dbraw/zinc/08/64/73/355086473.db2.gz UDMITAKAVIXUSI-BXUZGUMPSA-N 1 0 307.350 1.525 20 5 DDBDRO C[N@@H+]1C[C@H]2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3Cl)[C@H]2C1 ZINC000590446513 355099122 /nfs/dbraw/zinc/09/91/22/355099122.db2.gz WBWYIZYCOOEZEF-RISCZKNCSA-N 1 0 323.780 1.953 20 5 DDBDRO C[N@@H+]1C[C@H]2CCN(C(=O)CCNc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000590446551 355099665 /nfs/dbraw/zinc/09/96/65/355099665.db2.gz UJAAVCQKXDYSIK-IUODEOHRSA-N 1 0 318.377 1.559 20 5 DDBDRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000590751678 355164147 /nfs/dbraw/zinc/16/41/47/355164147.db2.gz GPYUVJBVCADDMU-KGLIPLIRSA-N 1 0 308.334 1.905 20 5 DDBDRO O=[N+]([O-])c1ccc(OCCC[NH2+][C@H](CO)[C@@H]2CCCOC2)cc1 ZINC000591048597 355238777 /nfs/dbraw/zinc/23/87/77/355238777.db2.gz GFTJVVGJFYSJHW-CZUORRHYSA-N 1 0 324.377 1.741 20 5 DDBDRO Cc1c(NC(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)cccc1[N+](=O)[O-] ZINC000591272496 355274428 /nfs/dbraw/zinc/27/44/28/355274428.db2.gz VWXMCAVTBQXRAR-ZWNOBZJWSA-N 1 0 308.338 1.483 20 5 DDBDRO CC[NH+]1CCN([C@@H]2CCN(c3ncc([N+](=O)[O-])cc3F)C2)CC1 ZINC000591146481 355254651 /nfs/dbraw/zinc/25/46/51/355254651.db2.gz BJAZBVLCTWWFNI-GFCCVEGCSA-N 1 0 323.372 1.345 20 5 DDBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NCC[NH2+]C1CC1 ZINC000591359021 355299830 /nfs/dbraw/zinc/29/98/30/355299830.db2.gz AQGNSXPIKRVUSH-UHFFFAOYSA-N 1 0 306.366 1.531 20 5 DDBDRO O=[N+]([O-])c1ccc(OC(F)F)c(CNC[C@@H]2C[C@H](F)C[NH2+]2)c1 ZINC000591281867 355277508 /nfs/dbraw/zinc/27/75/08/355277508.db2.gz QCOLRXHYKPPMGB-UWVGGRQHSA-N 1 0 319.283 1.986 20 5 DDBDRO Cc1cc(NC(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)ccc1[N+](=O)[O-] ZINC000591296428 355283277 /nfs/dbraw/zinc/28/32/77/355283277.db2.gz LCGANBNAVWRNKZ-GWCFXTLKSA-N 1 0 308.338 1.483 20 5 DDBDRO CC(C)c1cc(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)on1 ZINC000591742142 355375697 /nfs/dbraw/zinc/37/56/97/355375697.db2.gz CBIZSXZFNNVKDO-LLVKDONJSA-N 1 0 309.326 1.053 20 5 DDBDRO O=C(NC[C@H]1CCCC[NH2+]1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000591677301 355360188 /nfs/dbraw/zinc/36/01/88/355360188.db2.gz HSIHLRHNUPHDEO-SNVBAGLBSA-N 1 0 321.333 1.238 20 5 DDBDRO COc1cccc(C(=O)N[C@@H]2CC23CC[NH2+]CC3)c1[N+](=O)[O-] ZINC000591685790 355361503 /nfs/dbraw/zinc/36/15/03/355361503.db2.gz OOGXOSZAUBAFOJ-GFCCVEGCSA-N 1 0 305.334 1.475 20 5 DDBDRO COC(=O)[C@@H]1C[C@H](O)C[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000592196508 355533453 /nfs/dbraw/zinc/53/34/53/355533453.db2.gz CBXZXDGZKCIPFD-OLZOCXBDSA-N 1 0 308.334 1.259 20 5 DDBDRO COC(=O)c1cc(C(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000592296643 355553869 /nfs/dbraw/zinc/55/38/69/355553869.db2.gz FGNRGZSDXZIGAH-NOZJJQNGSA-N 1 0 321.333 1.191 20 5 DDBDRO C[NH2+]C[C@H]1CCN(C(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000592296264 355554233 /nfs/dbraw/zinc/55/42/33/355554233.db2.gz KUYLVNMTKDUYPA-GFCCVEGCSA-N 1 0 307.350 1.214 20 5 DDBDRO C[C@H]([NH3+])[C@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)CCO1 ZINC000592307411 355556270 /nfs/dbraw/zinc/55/62/70/355556270.db2.gz HWTFZZLWOPYUCE-SMDDNHRTSA-N 1 0 307.350 1.102 20 5 DDBDRO CN(CCC[NH3+])C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000592471473 355592583 /nfs/dbraw/zinc/59/25/83/355592583.db2.gz JCHVYDHFGFKBNE-UHFFFAOYSA-N 1 0 320.393 1.618 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[NH2+][C@@H](C(C)C)C1 ZINC000592485221 355596212 /nfs/dbraw/zinc/59/62/12/355596212.db2.gz RTHGQRKYCHZPHC-CYBMUJFWSA-N 1 0 320.393 1.772 20 5 DDBDRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000592543543 355622754 /nfs/dbraw/zinc/62/27/54/355622754.db2.gz FXUUTKBHRKHUGG-DTWKUNHWSA-N 1 0 307.306 1.323 20 5 DDBDRO CCCN(C(=O)c1nn(CC)cc1[N+](=O)[O-])[C@H]1CC[N@H+](C)C1 ZINC000592829529 355705771 /nfs/dbraw/zinc/70/57/71/355705771.db2.gz PXAUPDBGVILBPO-NSHDSACASA-N 1 0 309.370 1.368 20 5 DDBDRO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593578991 355933114 /nfs/dbraw/zinc/93/31/14/355933114.db2.gz RQBUIIFUODOSOX-QWRGUYRKSA-N 1 0 309.341 1.827 20 5 DDBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NCCC1(C[NH3+])CC1 ZINC000593714285 355973972 /nfs/dbraw/zinc/97/39/72/355973972.db2.gz BBTAHHQJBXUHNL-UHFFFAOYSA-N 1 0 320.393 1.908 20 5 DDBDRO COCCN1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C(C)(C)C1 ZINC000593876136 356036181 /nfs/dbraw/zinc/03/61/81/356036181.db2.gz ONQBZINNWMQJFM-UHFFFAOYSA-N 1 0 310.354 1.106 20 5 DDBDRO O=C(NCCNc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000593902842 356049795 /nfs/dbraw/zinc/04/97/95/356049795.db2.gz YLLBRTYBXFURBL-TZMCWYRMSA-N 1 0 318.377 1.654 20 5 DDBDRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])o3)C2)C1 ZINC000593913838 356057190 /nfs/dbraw/zinc/05/71/90/356057190.db2.gz WGCVKUONORMFFN-WZRBSPASSA-N 1 0 323.349 1.546 20 5 DDBDRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000594105432 356114333 /nfs/dbraw/zinc/11/43/33/356114333.db2.gz DKYDUGJSJLYDKR-BETUJISGSA-N 1 0 320.393 1.853 20 5 DDBDRO O=[N+]([O-])c1cccc(CC[NH2+]C2CCN([C@@H]3CCOC3)CC2)c1 ZINC000594503157 356238386 /nfs/dbraw/zinc/23/83/86/356238386.db2.gz UQBMHUMJRHQABX-QGZVFWFLSA-N 1 0 319.405 1.980 20 5 DDBDRO Cc1ccc(C[NH2+][C@H]2CCc3c(nnn3C)C2)cc1[N+](=O)[O-] ZINC000594515583 356241583 /nfs/dbraw/zinc/24/15/83/356241583.db2.gz NVZCBIGCBIPOPX-LBPRGKRZSA-N 1 0 301.350 1.679 20 5 DDBDRO COCC1(C)CC[NH+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000358744640 299240249 /nfs/dbraw/zinc/24/02/49/299240249.db2.gz MKGANOIJVXAPPG-UHFFFAOYSA-N 1 0 321.377 1.942 20 5 DDBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H](CO)C2CCC2)c2c(c1)COCO2 ZINC000594957816 356363560 /nfs/dbraw/zinc/36/35/60/356363560.db2.gz VAWULAYWJQDLJY-AWEZNQCLSA-N 1 0 308.334 1.712 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@]1(C)CCC(=O)N1 ZINC000595053472 356376492 /nfs/dbraw/zinc/37/64/92/356376492.db2.gz VLUPIYDSIXKWSJ-ZUZCIYMTSA-N 1 0 307.350 1.923 20 5 DDBDRO COCc1n[nH]c(C[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])n1 ZINC000595068469 356378535 /nfs/dbraw/zinc/37/85/35/356378535.db2.gz PHRPFVUTBWXLDV-NSHDSACASA-N 1 0 319.365 1.970 20 5 DDBDRO C[C@@H]([NH2+]C[C@@]1(OCCO)CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000595077934 356379214 /nfs/dbraw/zinc/37/92/14/356379214.db2.gz LKENRRMDUNWJEV-DOMZBBRYSA-N 1 0 310.350 1.413 20 5 DDBDRO Cn1cc(C[NH2+][C@H]2C[C@H](O)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000595000903 356370712 /nfs/dbraw/zinc/37/07/12/356370712.db2.gz MZDCIUXKMLBWSA-MQMHXKEQSA-N 1 0 302.334 1.608 20 5 DDBDRO O=C(Cn1cc([N+](=O)[O-])cn1)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000595226586 356411622 /nfs/dbraw/zinc/41/16/22/356411622.db2.gz VBTOHPNPLAAYII-OCCSQVGLSA-N 1 0 321.381 1.172 20 5 DDBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](CCc3c[nH]nn3)CC2)cc1 ZINC000595329741 356450715 /nfs/dbraw/zinc/45/07/15/356450715.db2.gz BVMKLPWPZPBATH-UHFFFAOYSA-N 1 0 317.349 1.799 20 5 DDBDRO CC(=O)NCC[C@@H]1CCCN(Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595494872 356517661 /nfs/dbraw/zinc/51/76/61/356517661.db2.gz CMSZEHUVAJISER-LBPRGKRZSA-N 1 0 310.354 1.629 20 5 DDBDRO Cc1noc(C[N@@H+]2C[C@H](O)C[C@H]2[C@@H]2CCCOC2)c1[N+](=O)[O-] ZINC000595528217 356534445 /nfs/dbraw/zinc/53/44/45/356534445.db2.gz PYZVJSDWAHZNQM-UTUOFQBUSA-N 1 0 311.338 1.253 20 5 DDBDRO O=C(C[NH2+][C@@H](CO)C1CCC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000595616882 356578656 /nfs/dbraw/zinc/57/86/56/356578656.db2.gz OSHPFISVVFWSJS-AWEZNQCLSA-N 1 0 319.361 1.235 20 5 DDBDRO CC[C@@H](NC(=O)C[NH2+]C[C@@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000236903125 202061948 /nfs/dbraw/zinc/06/19/48/202061948.db2.gz MJRDSJWCGKLZEL-LSDHHAIUSA-N 1 0 321.377 1.931 20 5 DDBDRO C[C@H]([NH2+][C@H]1C[C@H](O)C12CCC2)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000595779401 356648702 /nfs/dbraw/zinc/64/87/02/356648702.db2.gz DTFWRSANANFNLM-BPNCWPANSA-N 1 0 319.361 1.815 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H]1C[C@H](O)C12CCC2 ZINC000595783694 356650384 /nfs/dbraw/zinc/65/03/84/356650384.db2.gz TUGAFEPBEBQCTE-OLZOCXBDSA-N 1 0 319.361 1.735 20 5 DDBDRO CN(C(=O)C[N@@H+]1C[C@H]2COC[C@@]2(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000595756458 356638481 /nfs/dbraw/zinc/63/84/81/356638481.db2.gz GGPQELHCEMFEBK-BLLLJJGKSA-N 1 0 319.361 1.526 20 5 DDBDRO COc1ccc(OCC[NH2+][C@@H]2C[C@H](O)C23CCC3)c([N+](=O)[O-])c1 ZINC000595786035 356652412 /nfs/dbraw/zinc/65/24/12/356652412.db2.gz YXASLTWUHCVFRH-CABCVRRESA-N 1 0 322.361 1.875 20 5 DDBDRO C[C@@H]1C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@]1(C)CO ZINC000595871946 356686687 /nfs/dbraw/zinc/68/66/87/356686687.db2.gz IXWCYTFQLSDQEG-BMIGLBTASA-N 1 0 307.350 1.144 20 5 DDBDRO [NH3+]CC12CC(C1)CN2CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000595903048 356698965 /nfs/dbraw/zinc/69/89/65/356698965.db2.gz FBLQLYJHJNQSTJ-UHFFFAOYSA-N 1 0 324.768 1.610 20 5 DDBDRO C[NH2+]C[C@H](C)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000595984006 356735450 /nfs/dbraw/zinc/73/54/50/356735450.db2.gz SSALPKUWJXFJJQ-NSHDSACASA-N 1 0 306.366 1.533 20 5 DDBDRO Cc1n[nH]c(C(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)c1[N+](=O)[O-] ZINC000595935837 356711741 /nfs/dbraw/zinc/71/17/41/356711741.db2.gz WBIMUMFRVSLZOU-GFCCVEGCSA-N 1 0 321.381 1.478 20 5 DDBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC3CC2(C[NH3+])C3)c1 ZINC000595944156 356716782 /nfs/dbraw/zinc/71/67/82/356716782.db2.gz VNHZUEZSPIREBF-UHFFFAOYSA-N 1 0 307.375 1.880 20 5 DDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000596049095 356753231 /nfs/dbraw/zinc/75/32/31/356753231.db2.gz IGDLWLMEMTVCJC-ZDUSSCGKSA-N 1 0 313.379 1.188 20 5 DDBDRO C[C@H](CNc1ccc([N+](=O)[O-])c(C(N)=O)c1)C[NH+]1CCCC1 ZINC000596087416 356767489 /nfs/dbraw/zinc/76/74/89/356767489.db2.gz BSZDLOUHGPYAKX-LLVKDONJSA-N 1 0 306.366 1.838 20 5 DDBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596163183 356797824 /nfs/dbraw/zinc/79/78/24/356797824.db2.gz QDQGZGPQBRBEEW-RNCFNFMXSA-N 1 0 304.350 1.588 20 5 DDBDRO Nc1ccc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)nc1[N+](=O)[O-] ZINC000596228227 356823911 /nfs/dbraw/zinc/82/39/11/356823911.db2.gz YYNFHRZGMVSJGD-LBPRGKRZSA-N 1 0 321.381 1.121 20 5 DDBDRO COc1cc(N[C@H](CO)C[NH+](C)C)c(Cl)cc1[N+](=O)[O-] ZINC000596244978 356830726 /nfs/dbraw/zinc/83/07/26/356830726.db2.gz TUDLHULHATVCJT-QMMMGPOBSA-N 1 0 303.746 1.591 20 5 DDBDRO COc1cc(OCC(=O)N2CCC[C@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000237225577 202195956 /nfs/dbraw/zinc/19/59/56/202195956.db2.gz ISUHNXVYKWKSFW-LLVKDONJSA-N 1 0 323.349 1.180 20 5 DDBDRO CC(C)c1ccc(C[N@@H+]2CCC(CO)(CO)C2)cc1[N+](=O)[O-] ZINC000597218058 357097479 /nfs/dbraw/zinc/09/74/79/357097479.db2.gz GIBOPDLPIKOLFP-UHFFFAOYSA-N 1 0 308.378 1.895 20 5 DDBDRO CCN(C(=O)CCNc1ccccc1[N+](=O)[O-])[C@@H]1CC[N@H+](C)C1 ZINC000597945617 357394123 /nfs/dbraw/zinc/39/41/23/357394123.db2.gz JXKBXNZHCYLSJP-CYBMUJFWSA-N 1 0 320.393 1.949 20 5 DDBDRO Cc1n[nH]c(C(=O)NCC2CC[NH+](CC3CC3)CC2)c1[N+](=O)[O-] ZINC000598544554 357628151 /nfs/dbraw/zinc/62/81/51/357628151.db2.gz ZMGINJAOTKXDJA-UHFFFAOYSA-N 1 0 321.381 1.478 20 5 DDBDRO Cc1ccc(S(=O)(=O)N(C)CC[NH+](C)C)c(C)c1[N+](=O)[O-] ZINC000598604422 357650415 /nfs/dbraw/zinc/65/04/15/357650415.db2.gz NPQOKIVASILNBN-UHFFFAOYSA-N 1 0 315.395 1.394 20 5 DDBDRO COc1cc(C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)ccc1[N+](=O)[O-] ZINC000598669629 357678937 /nfs/dbraw/zinc/67/89/37/357678937.db2.gz KOHUZFQJEWBVJE-ABAIWWIYSA-N 1 0 305.334 1.557 20 5 DDBDRO COc1ccc(OCC[N@@H+]2CC[C@@H](C)[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC000598647126 357668646 /nfs/dbraw/zinc/66/86/46/357668646.db2.gz BUTVSAKFMWVEFV-OLZOCXBDSA-N 1 0 324.377 1.933 20 5 DDBDRO CC(C)[C@@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000598571162 357635719 /nfs/dbraw/zinc/63/57/19/357635719.db2.gz HBMRVVJHLNEOCA-HNNXBMFYSA-N 1 0 305.378 1.984 20 5 DDBDRO CC(C)[C@@H]1CN(C(=O)COc2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000598572082 357637097 /nfs/dbraw/zinc/63/70/97/357637097.db2.gz KVIIJKZTDXOYTA-AWEZNQCLSA-N 1 0 307.350 1.430 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H]1CCN(C(C)=O)C1 ZINC000598680094 357684264 /nfs/dbraw/zinc/68/42/64/357684264.db2.gz TZOIABXYFGASOU-ZYHUDNBSSA-N 1 0 307.350 1.875 20 5 DDBDRO [NH3+][C@]12CCC[C@@H]1CN(Cc1cc3c(cc1[N+](=O)[O-])OCCO3)C2 ZINC000598720397 357703311 /nfs/dbraw/zinc/70/33/11/357703311.db2.gz QHYISLDVXVRTQH-WBMJQRKESA-N 1 0 319.361 1.679 20 5 DDBDRO CN(C)S(=O)(=O)CCNc1ccc2cnccc2c1[N+](=O)[O-] ZINC000599080879 357808912 /nfs/dbraw/zinc/80/89/12/357808912.db2.gz LBQUOXDFHZJNSZ-UHFFFAOYSA-N 1 0 324.362 1.446 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCN1CC[C@@H](O)C1)CCC2 ZINC000599084666 357810413 /nfs/dbraw/zinc/81/04/13/357810413.db2.gz DVSJKNBTEGGDRS-GDBMZVCRSA-N 1 0 305.378 1.628 20 5 DDBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)c1 ZINC000599631897 357999053 /nfs/dbraw/zinc/99/90/53/357999053.db2.gz DWLWQOPWDGJMHT-ZCCHDVMBSA-N 1 0 324.402 1.959 20 5 DDBDRO C[NH+](C)CCCNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000179880007 199090893 /nfs/dbraw/zinc/09/08/93/199090893.db2.gz QUWXCRLRQJDJDN-UHFFFAOYSA-N 1 0 317.292 1.878 20 5 DDBDRO C[C@@H]1CC[C@H](NC(=O)NCCOc2ccc([N+](=O)[O-])cc2)C[NH2+]1 ZINC000599924762 358081974 /nfs/dbraw/zinc/08/19/74/358081974.db2.gz OXHOLJNKTBLYDR-NEPJUHHUSA-N 1 0 322.365 1.413 20 5 DDBDRO CCOc1ccc(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1[N+](=O)[O-] ZINC000185182214 199821131 /nfs/dbraw/zinc/82/11/31/199821131.db2.gz QTSBCAHLJUAUCG-YNEHKIRRSA-N 1 0 319.361 1.803 20 5 DDBDRO Cn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)n1 ZINC000600229969 358163151 /nfs/dbraw/zinc/16/31/51/358163151.db2.gz MFWIODXSOJTAKM-LBPRGKRZSA-N 1 0 321.381 1.465 20 5 DDBDRO Nc1c(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)cccc1[N+](=O)[O-] ZINC000600474578 358234792 /nfs/dbraw/zinc/23/47/92/358234792.db2.gz YZZPAVIUFPFLPJ-LBPRGKRZSA-N 1 0 318.377 1.924 20 5 DDBDRO [NH3+]C[C@H]1CN(CCn2cc([N+](=O)[O-])cn2)CC[C@H]1C(F)(F)F ZINC000600724829 358296881 /nfs/dbraw/zinc/29/68/81/358296881.db2.gz IITNUTNBIJGGJC-GXSJLCMTSA-N 1 0 321.303 1.250 20 5 DDBDRO COC(=O)c1ccc(-c2cnn(CC[NH+](C)C)c2)c([N+](=O)[O-])c1 ZINC000600783193 358313944 /nfs/dbraw/zinc/31/39/44/358313944.db2.gz DQRJICYPILLRMK-UHFFFAOYSA-N 1 0 318.333 1.807 20 5 DDBDRO CC1(C)CCC[C@@H]1CC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000600747484 358306037 /nfs/dbraw/zinc/30/60/37/358306037.db2.gz XPLMXDSGTJENLD-TZMCWYRMSA-N 1 0 310.398 1.958 20 5 DDBDRO O=C(NCC[N@H+]1CC[C@H](O)C1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000600808287 358320200 /nfs/dbraw/zinc/32/02/00/358320200.db2.gz KNBQDRMXMPJFOQ-VIFPVBQESA-N 1 0 313.741 1.045 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1Cn1cc(C[C@H]2CC[NH2+]C2)nn1 ZINC000600973550 358364178 /nfs/dbraw/zinc/36/41/78/358364178.db2.gz OYEMUBCFYHMIHB-LLVKDONJSA-N 1 0 317.349 1.395 20 5 DDBDRO CC(C)C[N@@H+]1CCO[C@@H](CNc2ncc(F)cc2[N+](=O)[O-])C1 ZINC000601101230 358402751 /nfs/dbraw/zinc/40/27/51/358402751.db2.gz UPIAJOCKLFIRBA-LBPRGKRZSA-N 1 0 312.345 1.898 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(c3ccc([N+](=O)[O-])c(C(N)=O)c3)C[C@@H]2C1 ZINC000601185151 358438139 /nfs/dbraw/zinc/43/81/39/358438139.db2.gz PEDDUJCPVSNQKN-MNOVXSKESA-N 1 0 304.350 1.082 20 5 DDBDRO C[NH+](C)C1(CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000601449092 358558708 /nfs/dbraw/zinc/55/87/08/358558708.db2.gz SIPNTESURBROLY-UHFFFAOYSA-N 1 0 305.381 1.029 20 5 DDBDRO Cc1n[nH]c(C(=O)N2CCC(C)([NH+]3CCCC3)CC2)c1[N+](=O)[O-] ZINC000601739848 358673291 /nfs/dbraw/zinc/67/32/91/358673291.db2.gz PYPGBZZYANVXTC-UHFFFAOYSA-N 1 0 321.381 1.717 20 5 DDBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@H]1CCCS(=O)(=O)CC1 ZINC000602010055 358775828 /nfs/dbraw/zinc/77/58/28/358775828.db2.gz BDAHMWIQORULFY-ZDUSSCGKSA-N 1 0 312.391 1.694 20 5 DDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N[C@H]1C[C@@H]([NH+]2CCCC2)C1 ZINC000602168601 358860810 /nfs/dbraw/zinc/86/08/10/358860810.db2.gz XGGMCRJCLLFJRV-OTVXOJSOSA-N 1 0 303.362 1.880 20 5 DDBDRO C[NH+](C)[C@H]1C[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000602170145 358861612 /nfs/dbraw/zinc/86/16/12/358861612.db2.gz IKTXFVYMAOAQJL-KGLIPLIRSA-N 1 0 305.378 1.982 20 5 DDBDRO C[N@@H+]1CCCC[C@H]1C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000602143169 358843099 /nfs/dbraw/zinc/84/30/99/358843099.db2.gz RIVSSEKLGHGIIR-HNNXBMFYSA-N 1 0 319.361 1.669 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]3CCCOC3)CC2)cn1 ZINC000602539359 359034324 /nfs/dbraw/zinc/03/43/24/359034324.db2.gz KKWMXNOEXONFEV-ZDUSSCGKSA-N 1 0 306.366 1.727 20 5 DDBDRO Cc1ccc([C@H](C)NC(=O)[C@@]2(C)C[NH2+]CCO2)cc1[N+](=O)[O-] ZINC000602469017 358999818 /nfs/dbraw/zinc/99/98/18/358999818.db2.gz YRHAUEWDNIKJAO-XHDPSFHLSA-N 1 0 307.350 1.459 20 5 DDBDRO C[C@@H]([NH3+])[C@H](C)NC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000602496819 359015107 /nfs/dbraw/zinc/01/51/07/359015107.db2.gz VQNITIRGCIRWMU-RQJHMYQMSA-N 1 0 316.155 1.823 20 5 DDBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@H](C)N1CCOCC1 ZINC000602568908 359048783 /nfs/dbraw/zinc/04/87/83/359048783.db2.gz ZGHDKBZGJKCGTF-KGLIPLIRSA-N 1 0 307.394 1.836 20 5 DDBDRO O=C(CNc1ccccc1[N+](=O)[O-])N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000602604265 359068004 /nfs/dbraw/zinc/06/80/04/359068004.db2.gz NRZWPOTWQKHNTB-JSGCOSHPSA-N 1 0 318.377 1.607 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000602578560 359053602 /nfs/dbraw/zinc/05/36/02/359053602.db2.gz NURCDKGTWVFUON-NSHDSACASA-N 1 0 307.350 1.947 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(c2ncc[nH]2)CC1 ZINC000602776970 359183375 /nfs/dbraw/zinc/18/33/75/359183375.db2.gz CERHXKIZLYUCLQ-UHFFFAOYSA-N 1 0 304.354 1.702 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(OCC2CC2)CC1 ZINC000602784107 359188639 /nfs/dbraw/zinc/18/86/39/359188639.db2.gz PUXRNGJIAMATQD-UHFFFAOYSA-N 1 0 308.382 1.991 20 5 DDBDRO C[C@@]12C[NH+](Cc3ccccc3[N+](=O)[O-])C[C@@]1(C)C(=O)NC2=O ZINC000602732244 359153970 /nfs/dbraw/zinc/15/39/70/359153970.db2.gz REJMGFWBPMFZGH-GJZGRUSLSA-N 1 0 303.318 1.079 20 5 DDBDRO COC(=O)[C@@H]1CCCCC[C@@H]1[NH2+]CCn1c(C)ncc1[N+](=O)[O-] ZINC000602836644 359227614 /nfs/dbraw/zinc/22/76/14/359227614.db2.gz PTXSZSKPSYQPQY-OLZOCXBDSA-N 1 0 324.381 1.811 20 5 DDBDRO Cn1cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)c([N+](=O)[O-])n1 ZINC000602837065 359228133 /nfs/dbraw/zinc/22/81/33/359228133.db2.gz SSLCJSSRUCPKKP-MJBXVCDLSA-N 1 0 308.382 1.844 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCOC[C@H](C2CCC2)C1 ZINC000602843256 359231703 /nfs/dbraw/zinc/23/17/03/359231703.db2.gz ZLUOECNMCCAGHE-CQSZACIVSA-N 1 0 308.382 1.848 20 5 DDBDRO COC(=O)[C@@H]1C[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C[C@H]1C1CC1 ZINC000602869366 359252959 /nfs/dbraw/zinc/25/29/59/359252959.db2.gz JORHITMDPBYIKP-QWHCGFSZSA-N 1 0 322.365 1.231 20 5 DDBDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602820571 359216015 /nfs/dbraw/zinc/21/60/15/359216015.db2.gz GTRVUIILGWYCTH-GFCCVEGCSA-N 1 0 323.397 1.013 20 5 DDBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1C[C@@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000602937112 359306686 /nfs/dbraw/zinc/30/66/86/359306686.db2.gz QIGDTKNJHJIJRX-VFVAKGGASA-N 1 0 317.345 1.640 20 5 DDBDRO [NH3+]CC[C@H](NC(=O)CNc1ccccc1[N+](=O)[O-])C(F)F ZINC000449609703 283444067 /nfs/dbraw/zinc/44/40/67/283444067.db2.gz CURXTZVGCHFQKZ-VIFPVBQESA-N 1 0 302.281 1.105 20 5 DDBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC([N@H+]2CCOC[C@@H]2C)CC1 ZINC000603402028 359617766 /nfs/dbraw/zinc/61/77/66/359617766.db2.gz LNTLALXWOAPWBU-ZDUSSCGKSA-N 1 0 320.393 1.988 20 5 DDBDRO CC1(CO)CC[NH+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000186975528 200042011 /nfs/dbraw/zinc/04/20/11/200042011.db2.gz FHQBZMASAIMARX-AWEZNQCLSA-N 1 0 324.377 1.429 20 5 DDBDRO COCC(=O)NC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000603681800 359671724 /nfs/dbraw/zinc/67/17/24/359671724.db2.gz IKSBYNKCWFFLBF-UHFFFAOYSA-N 1 0 307.350 1.322 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000604551866 359765308 /nfs/dbraw/zinc/76/53/08/359765308.db2.gz HDFMJWMTPMVFBX-JTQLQIEISA-N 1 0 306.366 1.758 20 5 DDBDRO CCN(CCC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000188932965 200324239 /nfs/dbraw/zinc/32/42/39/200324239.db2.gz JBIWQXDUAYLKNB-UHFFFAOYSA-N 1 0 324.337 1.917 20 5 DDBDRO CNc1ccc(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000609413055 360305391 /nfs/dbraw/zinc/30/53/91/360305391.db2.gz ZNHRUGUACHGFFR-LLVKDONJSA-N 1 0 318.377 1.851 20 5 DDBDRO C[C@H](NC(=O)COc1cccc([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000609583474 360328689 /nfs/dbraw/zinc/32/86/89/360328689.db2.gz KLSLPZKAJXTTMN-LBPRGKRZSA-N 1 0 321.377 1.820 20 5 DDBDRO O=[N+]([O-])c1ccc(CN2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c(F)c1 ZINC000610476518 360444553 /nfs/dbraw/zinc/44/45/53/360444553.db2.gz BCZHWIJKLZQTLB-HOTGVXAUSA-N 1 0 323.368 1.765 20 5 DDBDRO COC(=O)[C@@H]1CC12CC[NH+](Cc1c([N+](=O)[O-])ncn1C)CC2 ZINC000610476378 360445147 /nfs/dbraw/zinc/44/51/47/360445147.db2.gz FMODWSMQIZXKAN-JTQLQIEISA-N 1 0 308.338 1.103 20 5 DDBDRO CC[NH+](CC)[C@H](C)CNc1ncc(C(=O)OC)cc1[N+](=O)[O-] ZINC000190167370 200496459 /nfs/dbraw/zinc/49/64/59/200496459.db2.gz HPGNELBBLFAIMD-SNVBAGLBSA-N 1 0 310.354 1.919 20 5 DDBDRO CC[N@@H+]1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000611088225 360619995 /nfs/dbraw/zinc/61/99/95/360619995.db2.gz KHSBLFOABVWZON-CYBMUJFWSA-N 1 0 320.393 1.949 20 5 DDBDRO CC(C)c1ccc(C[NH2+]CCc2nnnn2C)cc1[N+](=O)[O-] ZINC000611314595 360697479 /nfs/dbraw/zinc/69/74/79/360697479.db2.gz PKFUMTUIKWBKDI-UHFFFAOYSA-N 1 0 304.354 1.574 20 5 DDBDRO Nc1cc(N2CC[C@@H]([NH+]3CCCC3)C2)cc(CO)c1[N+](=O)[O-] ZINC000611525449 360746996 /nfs/dbraw/zinc/74/69/96/360746996.db2.gz CRUHGVLVZDHVMH-GFCCVEGCSA-N 1 0 306.366 1.344 20 5 DDBDRO CCC[C@H]1C[NH2+]CCN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000359037936 299313608 /nfs/dbraw/zinc/31/36/08/299313608.db2.gz FAYKNRBOKYDTNQ-HNNXBMFYSA-N 1 0 320.393 1.632 20 5 DDBDRO C[C@H]1COCCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000612104202 360920589 /nfs/dbraw/zinc/92/05/89/360920589.db2.gz QTMCVEQIGXTUJV-STQMWFEESA-N 1 0 310.350 1.445 20 5 DDBDRO C[NH2+][C@@H]1CCCN(S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])C1 ZINC000262016434 283659475 /nfs/dbraw/zinc/65/94/75/283659475.db2.gz MSLQXMDCGCZDBK-LLVKDONJSA-N 1 0 313.379 1.276 20 5 DDBDRO Cc1nn(CCC(=O)N[C@@H]2CCC[NH2+][C@H]2C)c(C)c1[N+](=O)[O-] ZINC000193555693 201074396 /nfs/dbraw/zinc/07/43/96/201074396.db2.gz ICHIZOBKBGGNBO-JOYOIKCWSA-N 1 0 309.370 1.055 20 5 DDBDRO COCC[N@H+](C)CCNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000579422463 422764339 /nfs/dbraw/zinc/76/43/39/422764339.db2.gz RKXDSZADPBWGNR-LBPRGKRZSA-N 1 0 309.366 1.393 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000619583489 364071597 /nfs/dbraw/zinc/07/15/97/364071597.db2.gz PFABUTWZUHWVCO-CYBMUJFWSA-N 1 0 321.377 1.883 20 5 DDBDRO O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000566249348 304133306 /nfs/dbraw/zinc/13/33/06/304133306.db2.gz UFNXZFZOBBTGBE-HNNXBMFYSA-N 1 0 319.317 1.149 20 5 DDBDRO COc1ccc(OCCN2C[C@@H]3C[NH2+]C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000359271167 299388816 /nfs/dbraw/zinc/38/88/16/299388816.db2.gz GBSBOVFEJOHBQC-RYUDHWBXSA-N 1 0 307.350 1.133 20 5 DDBDRO C[C@@H](CC[NH3+])NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000349914442 284104144 /nfs/dbraw/zinc/10/41/44/284104144.db2.gz KFQYZEAANRCHER-QMMMGPOBSA-N 1 0 304.306 1.316 20 5 DDBDRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000349921721 284106861 /nfs/dbraw/zinc/10/68/61/284106861.db2.gz OLTHEYLBOBJEHE-ZDUSSCGKSA-N 1 0 324.381 1.496 20 5 DDBDRO COCC1(CNC(=O)c2ccc(C)c([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000261806397 203122065 /nfs/dbraw/zinc/12/20/65/203122065.db2.gz GCLMNXYIUSNXMS-UHFFFAOYSA-N 1 0 321.377 1.649 20 5 DDBDRO COc1cc(C(=O)N[C@H]2CC[NH2+][C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000261893986 203146111 /nfs/dbraw/zinc/14/61/11/203146111.db2.gz OBVWOAAQFSQUNP-ZJUUUORDSA-N 1 0 323.349 1.482 20 5 DDBDRO COc1cc(C(=O)N2CCC[C@H](CC[NH3+])C2)ccc1[N+](=O)[O-] ZINC000262359834 203272111 /nfs/dbraw/zinc/27/21/11/203272111.db2.gz WFPJHUFKWZKWNY-LLVKDONJSA-N 1 0 307.350 1.804 20 5 DDBDRO COc1ccc(C(=O)N2CC[C@H](C)C[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000262460402 203300158 /nfs/dbraw/zinc/30/01/58/203300158.db2.gz IMNJONAADMCNRS-JQWIXIFHSA-N 1 0 307.350 1.803 20 5 DDBDRO COc1ccc(C(=O)N[C@@H]2[C@H](C)CC[NH2+][C@@H]2C)cc1[N+](=O)[O-] ZINC000262566856 203333218 /nfs/dbraw/zinc/33/32/18/203333218.db2.gz WVTJRCHRBBCENU-GPCCPHFNSA-N 1 0 307.350 1.720 20 5 DDBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262626810 203356644 /nfs/dbraw/zinc/35/66/44/203356644.db2.gz KWCCCANYSWAXSY-KGLIPLIRSA-N 1 0 303.362 1.880 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000262771775 203401813 /nfs/dbraw/zinc/40/18/13/203401813.db2.gz UYWDJPZWIXOQGR-ZYHUDNBSSA-N 1 0 309.370 1.218 20 5 DDBDRO COc1cc(C[NH2+]CCc2cnn(C)c2)c([N+](=O)[O-])cc1OC ZINC000263724863 203531065 /nfs/dbraw/zinc/53/10/65/203531065.db2.gz WZFGKLZADMTFQG-UHFFFAOYSA-N 1 0 320.349 1.678 20 5 DDBDRO O=c1cc2c(n[nH]1)CC[N@@H+](CCOc1ccccc1[N+](=O)[O-])C2 ZINC000274978548 212055579 /nfs/dbraw/zinc/05/55/79/212055579.db2.gz LVRONHBAQJYIMP-UHFFFAOYSA-N 1 0 316.317 1.115 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]Cc2cc(F)cc(F)c2)c1 ZINC000579460257 422772607 /nfs/dbraw/zinc/77/26/07/422772607.db2.gz NAKHRPMSLZQMAG-ZDUSSCGKSA-N 1 0 312.276 1.220 20 5 DDBDRO Cc1cc(C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000264472048 203945654 /nfs/dbraw/zinc/94/56/54/203945654.db2.gz UMVPHRXAZXPGMX-ZDUSSCGKSA-N 1 0 320.393 1.269 20 5 DDBDRO C[C@@H]1CN(S(=O)(=O)c2ccccc2[N+](=O)[O-])[C@H](C)CN1C ZINC000350871358 284274359 /nfs/dbraw/zinc/27/43/59/284274359.db2.gz QAUNEPJNGGYQFU-GHMZBOCLSA-N 1 0 313.379 1.308 20 5 DDBDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000566556693 304168631 /nfs/dbraw/zinc/16/86/31/304168631.db2.gz UGEFLZHNKBHOSI-RKDXNWHRSA-N 1 0 307.306 1.133 20 5 DDBDRO CC[N@@H+]1CCN(C(=O)CCn2nc(C)c([N+](=O)[O-])c2C)[C@H](C)C1 ZINC000288317835 220080557 /nfs/dbraw/zinc/08/05/57/220080557.db2.gz HUTIERCHTYGXCI-LLVKDONJSA-N 1 0 323.397 1.351 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000566620803 304172060 /nfs/dbraw/zinc/17/20/60/304172060.db2.gz XFJWFCJUSOWQAZ-LLVKDONJSA-N 1 0 307.350 1.804 20 5 DDBDRO C[C@@H](c1ccc(F)cc1)[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266416828 205331505 /nfs/dbraw/zinc/33/15/05/205331505.db2.gz HORHLHQYLUZQQV-XHDPSFHLSA-N 1 0 322.340 1.984 20 5 DDBDRO O=C(CC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])N1CCOCC1 ZINC000579494646 422782038 /nfs/dbraw/zinc/78/20/38/422782038.db2.gz VLTBMYIRZNIOOY-CQSZACIVSA-N 1 0 319.361 1.421 20 5 DDBDRO O=[N+]([O-])c1cnccc1NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000337145333 249364430 /nfs/dbraw/zinc/36/44/30/249364430.db2.gz PGGWYVGPGQRTGT-GDBMZVCRSA-N 1 0 320.393 1.592 20 5 DDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@H]1CCCC[NH2+]1 ZINC000044492852 183413676 /nfs/dbraw/zinc/41/36/76/183413676.db2.gz JJCFJZUGRPTGMF-LLVKDONJSA-N 1 0 313.379 1.324 20 5 DDBDRO CCNC(=O)C(C)(C)C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285115361 218296097 /nfs/dbraw/zinc/29/60/97/218296097.db2.gz KXRMZIVWDOCFKV-JTQLQIEISA-N 1 0 308.382 1.990 20 5 DDBDRO C[NH+](C)C1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000058176283 184085098 /nfs/dbraw/zinc/08/50/98/184085098.db2.gz KVFLSPKWHVFYLY-UHFFFAOYSA-N 1 0 313.379 1.310 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@H](O)C[C@H]1C ZINC000340904204 251267046 /nfs/dbraw/zinc/26/70/46/251267046.db2.gz JAGOJEHLMOKFGU-ZYHUDNBSSA-N 1 0 323.349 1.387 20 5 DDBDRO C[NH2+]C[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000063168014 184275654 /nfs/dbraw/zinc/27/56/54/184275654.db2.gz HNMRZJSVBPFUTF-LBPRGKRZSA-N 1 0 313.379 1.357 20 5 DDBDRO CC(C)(C)C[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000066990461 184444243 /nfs/dbraw/zinc/44/42/43/184444243.db2.gz JDSQLZZIRPJINF-UHFFFAOYSA-N 1 0 315.395 1.509 20 5 DDBDRO O=C(NCC[NH+]1CCCCC1)NCc1cccc([N+](=O)[O-])c1 ZINC000067004177 184444619 /nfs/dbraw/zinc/44/46/19/184444619.db2.gz WOCMDWCXJICRMM-UHFFFAOYSA-N 1 0 306.366 1.880 20 5 DDBDRO COc1ccc(CNC(=O)[C@@]2(C)CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000269363325 207487051 /nfs/dbraw/zinc/48/70/51/207487051.db2.gz UQFXNFUPQSWIRY-HNNXBMFYSA-N 1 0 307.350 1.609 20 5 DDBDRO COCC[NH+]1CCN(c2ccnc3c2cccc3[N+](=O)[O-])CC1 ZINC000432341372 532973619 /nfs/dbraw/zinc/97/36/19/532973619.db2.gz WUDRPPIBNGWVQV-UHFFFAOYSA-N 1 0 316.361 1.911 20 5 DDBDRO C[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CCSC1 ZINC000119856306 195049633 /nfs/dbraw/zinc/04/96/33/195049633.db2.gz LZDSXWDIFKBHCT-OLZOCXBDSA-N 1 0 312.391 1.772 20 5 DDBDRO C[NH2+][C@H]1CCN(C(=O)NCc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000417173444 533033689 /nfs/dbraw/zinc/03/36/89/533033689.db2.gz GTTSYFRNWWQPIQ-NSHDSACASA-N 1 0 308.338 1.107 20 5 DDBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000286183405 218834898 /nfs/dbraw/zinc/83/48/98/218834898.db2.gz RLQQTZNGUUWLOW-ZETOZRRWSA-N 1 0 307.350 1.476 20 5 DDBDRO C[C@H](CC[NH+](C)C)NC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000270355527 208430162 /nfs/dbraw/zinc/43/01/62/208430162.db2.gz QAMSPFYSSBZPMV-GFCCVEGCSA-N 1 0 308.382 1.777 20 5 DDBDRO O=[N+]([O-])c1ccc(-c2noc(N3CCC4(CC[NH2+]4)CC3)n2)cc1 ZINC000422543433 285106243 /nfs/dbraw/zinc/10/62/43/285106243.db2.gz RWKHDVLEKOMOEF-UHFFFAOYSA-N 1 0 315.333 1.977 20 5 DDBDRO C[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C[C@@H]1n1ccnc1 ZINC000120202023 195118769 /nfs/dbraw/zinc/11/87/69/195118769.db2.gz XHRZIOTYENHYSJ-OCCSQVGLSA-N 1 0 304.354 1.571 20 5 DDBDRO Cc1c(C(=O)NCCCC[NH3+])cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000272901446 210289435 /nfs/dbraw/zinc/28/94/35/210289435.db2.gz CCNIHESANKMYPG-UHFFFAOYSA-N 1 0 310.310 1.589 20 5 DDBDRO O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000236133329 285171301 /nfs/dbraw/zinc/17/13/01/285171301.db2.gz YRDKICKNGWMVEU-OCAPTIKFSA-N 1 0 302.256 1.664 20 5 DDBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cnnn1C ZINC000352612118 285173595 /nfs/dbraw/zinc/17/35/95/285173595.db2.gz MXDOPZJPUZXWKB-JTQLQIEISA-N 1 0 318.337 1.230 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H]1CO ZINC000298134942 533139004 /nfs/dbraw/zinc/13/90/04/533139004.db2.gz NVABQJQNCSTDFI-LBPRGKRZSA-N 1 0 323.349 1.389 20 5 DDBDRO CNC(=O)CCC[N@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000154790504 196992534 /nfs/dbraw/zinc/99/25/34/196992534.db2.gz FHNPWBRMICQDSH-LLVKDONJSA-N 1 0 322.365 1.380 20 5 DDBDRO COC(=O)CC1([NH2+]CCc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000120452331 195169833 /nfs/dbraw/zinc/16/98/33/195169833.db2.gz KCGKRWHZWJIOHX-UHFFFAOYSA-N 1 0 322.361 1.839 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000293570071 533213142 /nfs/dbraw/zinc/21/31/42/533213142.db2.gz XXRXQBQXABXXDO-MFKMUULPSA-N 1 0 305.334 1.427 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@@H](CO)C2CCCC2)c1 ZINC000289451386 220983989 /nfs/dbraw/zinc/98/39/89/220983989.db2.gz FZFVHMISCZRLNS-HOCLYGCPSA-N 1 0 324.377 1.475 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000414662111 533225761 /nfs/dbraw/zinc/22/57/61/533225761.db2.gz YNPNYLXYIGOTTJ-MWLCHTKSSA-N 1 0 308.338 1.804 20 5 DDBDRO CCC[C@]1([NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CCOC1 ZINC000352828685 285325644 /nfs/dbraw/zinc/32/56/44/285325644.db2.gz YQLJQFOUYNYUQL-HNNXBMFYSA-N 1 0 307.350 1.743 20 5 DDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCC[NH2+]C ZINC000123018111 195534374 /nfs/dbraw/zinc/53/43/74/195534374.db2.gz INZAFMXNHGYUSA-UHFFFAOYSA-N 1 0 301.368 1.045 20 5 DDBDRO Cc1n[nH]c(C(=O)NCCC[NH+]2CCCCCC2)c1[N+](=O)[O-] ZINC000299497026 533666425 /nfs/dbraw/zinc/66/64/25/533666425.db2.gz BOHRAKXXIWQJOQ-UHFFFAOYSA-N 1 0 309.370 1.622 20 5 DDBDRO C[C@@H](CCO)CC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000568627793 304302623 /nfs/dbraw/zinc/30/26/23/304302623.db2.gz HBPPJHDKRZHDOC-GFCCVEGCSA-N 1 0 309.366 1.922 20 5 DDBDRO CCCC[C@@H](C[NH3+])NC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000568746182 304309134 /nfs/dbraw/zinc/30/91/34/304309134.db2.gz IGADQVJHBDFTAV-LBPRGKRZSA-N 1 0 309.366 1.780 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000579702786 422817487 /nfs/dbraw/zinc/81/74/87/422817487.db2.gz GBXMVVHVWMRIEA-ZWNOBZJWSA-N 1 0 307.350 1.945 20 5 DDBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@H](CO)[C@H]1CCOC1 ZINC000360765609 299741591 /nfs/dbraw/zinc/74/15/91/299741591.db2.gz PWLVSDZUFARKHE-QWZUFBECSA-N 1 0 306.362 1.843 20 5 DDBDRO CSc1cc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)ccn1 ZINC000570322855 304406688 /nfs/dbraw/zinc/40/66/88/304406688.db2.gz NZFWHNWDVSWCBZ-LBPRGKRZSA-N 1 0 323.378 1.059 20 5 DDBDRO CC(C)[C@H](CO)C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000570396566 304409606 /nfs/dbraw/zinc/40/96/06/304409606.db2.gz LRRQZCVGGGDPEL-QWHCGFSZSA-N 1 0 312.366 1.189 20 5 DDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000070120650 406808515 /nfs/dbraw/zinc/80/85/15/406808515.db2.gz NMUSNGOXJQXTHF-LLVKDONJSA-N 1 0 313.379 1.324 20 5 DDBDRO CN(CCN1CC[NH2+]CC1)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000071150943 406833255 /nfs/dbraw/zinc/83/32/55/406833255.db2.gz WNCDDRAIVFIEIC-UHFFFAOYSA-N 1 0 312.801 1.585 20 5 DDBDRO O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1CC[NH+]1CCCCC1 ZINC000071810156 406845010 /nfs/dbraw/zinc/84/50/10/406845010.db2.gz QCAUVKCEEMEQLP-UHFFFAOYSA-N 1 0 303.318 1.677 20 5 DDBDRO CN(C)C(=O)CN1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000077220999 406980349 /nfs/dbraw/zinc/98/03/49/406980349.db2.gz VPWLBKRRMKXQCP-UHFFFAOYSA-N 1 0 320.393 1.237 20 5 DDBDRO Cc1ccc(C(=O)N2CCN(CC[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000053305137 407166186 /nfs/dbraw/zinc/16/61/86/407166186.db2.gz WASPAMZVDMHHJG-UHFFFAOYSA-N 1 0 320.393 1.223 20 5 DDBDRO C[C@@H](CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)C[NH+]1CCCC1 ZINC000102335020 407321625 /nfs/dbraw/zinc/32/16/25/407321625.db2.gz HCFVYJIWVIGCKM-LBPRGKRZSA-N 1 0 323.397 1.375 20 5 DDBDRO C[C@@H]1C[C@@H](N(C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000123191653 407322490 /nfs/dbraw/zinc/32/24/90/407322490.db2.gz LUXHWLWXCDWBQL-RISCZKNCSA-N 1 0 320.393 1.608 20 5 DDBDRO C[C@@H]1CCC[N@H+](CCNC(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000067292760 407270739 /nfs/dbraw/zinc/27/07/39/407270739.db2.gz UIIVEMZYTREJQV-CYBMUJFWSA-N 1 0 320.393 1.855 20 5 DDBDRO CCOc1ccc(NC(=O)CN(C)[C@H]2CCOC2)c([N+](=O)[O-])c1 ZINC000106886540 407364640 /nfs/dbraw/zinc/36/46/40/407364640.db2.gz IMKKSGPBUXUCDD-NSHDSACASA-N 1 0 323.349 1.653 20 5 DDBDRO COc1cc(NC[C@@H]2C[N@H+](C)CCN2C)c([N+](=O)[O-])cc1OC ZINC000271038720 407481015 /nfs/dbraw/zinc/48/10/15/407481015.db2.gz MJLVXMNXHDERHN-LLVKDONJSA-N 1 0 324.381 1.270 20 5 DDBDRO CS[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2N)C[C@@H]1[NH+](C)C ZINC000271205478 407573525 /nfs/dbraw/zinc/57/35/25/407573525.db2.gz XTYTZKXTXPGTFW-NWDGAFQWSA-N 1 0 324.406 1.295 20 5 DDBDRO CC[N@H+](C)CCNC(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1 ZINC000265921051 407512356 /nfs/dbraw/zinc/51/23/56/407512356.db2.gz BYPPPRQGLAQWHS-UHFFFAOYSA-N 1 0 311.338 1.294 20 5 DDBDRO C[NH2+]CC1CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000152272203 407601088 /nfs/dbraw/zinc/60/10/88/407601088.db2.gz UTDWPCHSZXFCBK-UHFFFAOYSA-N 1 0 321.377 1.822 20 5 DDBDRO C[C@H](C(=O)NCCn1cc([N+](=O)[O-])cn1)[NH+]1CCCCCC1 ZINC000130003342 407642495 /nfs/dbraw/zinc/64/24/95/407642495.db2.gz VADHSQPRJIGAKF-GFCCVEGCSA-N 1 0 309.370 1.172 20 5 DDBDRO CCCc1n[nH]c(C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000115716897 407703919 /nfs/dbraw/zinc/70/39/19/407703919.db2.gz ZVPFZAPJUWFYPQ-LLVKDONJSA-N 1 0 323.397 1.684 20 5 DDBDRO C[C@H](O)C[C@@H]1CCC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000152995815 407730621 /nfs/dbraw/zinc/73/06/21/407730621.db2.gz DWWHCTPMIMPWSH-WFASDCNBSA-N 1 0 321.377 1.793 20 5 DDBDRO CC(C)(C(=O)N[C@@H](C[NH3+])C1CCCCC1)n1cc([N+](=O)[O-])cn1 ZINC000236717910 407759242 /nfs/dbraw/zinc/75/92/42/407759242.db2.gz PWTISQMLLGOXGW-ZDUSSCGKSA-N 1 0 323.397 1.550 20 5 DDBDRO C[NH2+]C[C@H](C)CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000237191322 407802237 /nfs/dbraw/zinc/80/22/37/407802237.db2.gz GWTQXMKGUBLYLW-NSHDSACASA-N 1 0 317.349 1.366 20 5 DDBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)Cc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000262360991 407812173 /nfs/dbraw/zinc/81/21/73/407812173.db2.gz WKIQAJVFMBZLIS-BFHYXJOUSA-N 1 0 303.362 1.723 20 5 DDBDRO CO[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2C)[C@@H](C[NH3+])C1 ZINC000262372443 407814816 /nfs/dbraw/zinc/81/48/16/407814816.db2.gz XOSVRJKKIYQGSO-CHWSQXEVSA-N 1 0 307.350 1.482 20 5 DDBDRO C[C@@H]1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000262449758 407837192 /nfs/dbraw/zinc/83/71/92/407837192.db2.gz HPKBLULUTHLCCV-NEPJUHHUSA-N 1 0 306.366 1.450 20 5 DDBDRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000237978746 407860635 /nfs/dbraw/zinc/86/06/35/407860635.db2.gz VEBABKFVTOAXMQ-RISCZKNCSA-N 1 0 307.350 1.607 20 5 DDBDRO O=C(COc1ccccc1[N+](=O)[O-])NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000238006522 407866957 /nfs/dbraw/zinc/86/69/57/407866957.db2.gz DOWVYCKPIQLWTH-FOSCPWQOSA-N 1 0 305.334 1.373 20 5 DDBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000268147760 407912857 /nfs/dbraw/zinc/91/28/57/407912857.db2.gz FKWCDIKLEIEZFC-YMTOWFKASA-N 1 0 307.325 1.946 20 5 DDBDRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000262878590 407961405 /nfs/dbraw/zinc/96/14/05/407961405.db2.gz VRYIFOJOOFWTRW-GZMMTYOYSA-N 1 0 303.322 1.199 20 5 DDBDRO C[C@H]1C[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000245404340 407964183 /nfs/dbraw/zinc/96/41/83/407964183.db2.gz OWUCDDOSKZKTFU-GXTWGEPZSA-N 1 0 310.350 1.445 20 5 DDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000272451597 407926931 /nfs/dbraw/zinc/92/69/31/407926931.db2.gz NPPYYGUIWXXNMR-VXGBXAGGSA-N 1 0 304.350 1.534 20 5 DDBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C[C@@H]1CCCC[C@@H]1O ZINC000272451903 407929111 /nfs/dbraw/zinc/92/91/11/407929111.db2.gz CHDQCEJBJNBSJL-JSGCOSHPSA-N 1 0 309.366 1.239 20 5 DDBDRO C[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccc([S@](C)=O)cc1 ZINC000273021396 408022128 /nfs/dbraw/zinc/02/21/28/408022128.db2.gz SDAHYZZNKSPAQE-XFNZEKPQSA-N 1 0 322.390 1.880 20 5 DDBDRO C[N@@H+]1CCC[C@H]2CN(CCn3cc([N+](=O)[O-])ccc3=O)CC[C@H]21 ZINC000245579886 408022197 /nfs/dbraw/zinc/02/21/97/408022197.db2.gz IHEYZFTXTUANNS-DZGCQCFKSA-N 1 0 320.393 1.173 20 5 DDBDRO CCOC1CC[NH+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000182220578 408098873 /nfs/dbraw/zinc/09/88/73/408098873.db2.gz CLQOHDSKLRIMPB-CYBMUJFWSA-N 1 0 324.377 1.835 20 5 DDBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2[nH]nc(CC)c2[N+](=O)[O-])C1 ZINC000175329021 408107204 /nfs/dbraw/zinc/10/72/04/408107204.db2.gz VJLSKAAYZKPQLT-NSHDSACASA-N 1 0 323.397 1.684 20 5 DDBDRO COc1ccc(NC(=O)C[NH2+]C2(CO)CCCC2)c([N+](=O)[O-])c1 ZINC000175995710 408263706 /nfs/dbraw/zinc/26/37/06/408263706.db2.gz GIXWCNVSVBLQEX-UHFFFAOYSA-N 1 0 323.349 1.437 20 5 DDBDRO Cc1c(NC(=O)[C@H](C)N2CC[C@@H](CO)C2)cccc1[N+](=O)[O-] ZINC000269488368 408326648 /nfs/dbraw/zinc/32/66/48/408326648.db2.gz YCYXKXZYWNMJAA-NWDGAFQWSA-N 1 0 307.350 1.544 20 5 DDBDRO COCCN(CCn1ccc([N+](=O)[O-])n1)Cc1cccnc1 ZINC000191123407 408373662 /nfs/dbraw/zinc/37/36/62/408373662.db2.gz AOLUPWVQPAQUKK-UHFFFAOYSA-N 1 0 305.338 1.335 20 5 DDBDRO COc1cc(C(=O)NC2CCC([NH3+])CC2)c([N+](=O)[O-])cc1OC ZINC000174032428 162389346 /nfs/dbraw/zinc/38/93/46/162389346.db2.gz YSOPBABMQFKJJN-UHFFFAOYSA-N 1 0 323.349 1.612 20 5 DDBDRO COC[C@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1CC1 ZINC000183431734 408411170 /nfs/dbraw/zinc/41/11/70/408411170.db2.gz UJJNRZJSSCBYRA-AWEZNQCLSA-N 1 0 319.361 1.499 20 5 DDBDRO C[NH+]1CCN(CCCn2cc(Cl)cc([N+](=O)[O-])c2=O)CC1 ZINC000274727664 408512123 /nfs/dbraw/zinc/51/21/23/408512123.db2.gz HLVXKYSXJGWFGK-UHFFFAOYSA-N 1 0 314.773 1.047 20 5 DDBDRO C[C@@H]1C[C@H](NC(=O)Cc2ccccc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000177128902 408527378 /nfs/dbraw/zinc/52/73/78/408527378.db2.gz KQFOATOKPVTRCR-YPMHNXCESA-N 1 0 303.362 1.879 20 5 DDBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Cn2cc([N+](=O)[O-])nc2C)[C@@H](C)C1 ZINC000247458147 408472177 /nfs/dbraw/zinc/47/21/77/408472177.db2.gz QUFUXUDOBALSOL-AAEUAGOBSA-N 1 0 323.397 1.288 20 5 DDBDRO C[C@@H]1CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000270659811 408623991 /nfs/dbraw/zinc/62/39/91/408623991.db2.gz OPHCNSQWRNMGNQ-QMTHXVAHSA-N 1 0 306.366 1.076 20 5 DDBDRO C[NH+](C)CC(C)(C)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000192700966 408634880 /nfs/dbraw/zinc/63/48/80/408634880.db2.gz UJCGHNUTMJNBJY-UHFFFAOYSA-N 1 0 315.395 1.461 20 5 DDBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000177821789 408724431 /nfs/dbraw/zinc/72/44/31/408724431.db2.gz ZNNOLYGSQZDMJP-NEPJUHHUSA-N 1 0 321.381 1.336 20 5 DDBDRO CCc1n[nH]c(C(=O)N(C)[C@H]2CC[N@@H+](CC)C[C@H]2C)c1[N+](=O)[O-] ZINC000249142189 408700438 /nfs/dbraw/zinc/70/04/38/408700438.db2.gz QZVOVBDFJQJIKV-PWSUYJOCSA-N 1 0 323.397 1.683 20 5 DDBDRO CC[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)N1CCOCC1 ZINC000165010317 408806081 /nfs/dbraw/zinc/80/60/81/408806081.db2.gz ZERSQGHYVZLELA-WFASDCNBSA-N 1 0 321.377 1.883 20 5 DDBDRO CC[C@@H](C)[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000178005648 408754417 /nfs/dbraw/zinc/75/44/17/408754417.db2.gz CJEHWGZMXYXEAU-SNVBAGLBSA-N 1 0 301.368 1.261 20 5 DDBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](CN3CCOCC3)C2)cc1F ZINC000276288051 408829057 /nfs/dbraw/zinc/82/90/57/408829057.db2.gz HDFFUVQXHVMMOJ-CQSZACIVSA-N 1 0 323.368 1.888 20 5 DDBDRO CCN(CCC[NH+](CC)CC)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000276480023 408867699 /nfs/dbraw/zinc/86/76/99/408867699.db2.gz QPUXZRGCULBEHL-UHFFFAOYSA-N 1 0 311.386 1.372 20 5 DDBDRO COc1cc(C(=O)N2CC[NH+]3CCC2CC3)ccc1[N+](=O)[O-] ZINC000188839688 163073040 /nfs/dbraw/zinc/07/30/40/163073040.db2.gz YYCGARJNBBAZKX-UHFFFAOYSA-N 1 0 305.334 1.524 20 5 DDBDRO O=[N+]([O-])c1cnc(NC2CC[NH+](C[C@@H]3CCOC3)CC2)s1 ZINC000192458809 163223906 /nfs/dbraw/zinc/22/39/06/163223906.db2.gz ORQHFUPWGFVSQU-JTQLQIEISA-N 1 0 312.395 1.964 20 5 DDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000216006179 163330772 /nfs/dbraw/zinc/33/07/72/163330772.db2.gz AIONDRURXAQLQI-GXSJLCMTSA-N 1 0 313.379 1.261 20 5 DDBDRO [NH3+]CC[C@@H]1CCCCN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000286259002 408950856 /nfs/dbraw/zinc/95/08/56/408950856.db2.gz VMPNYFMJHHLSQR-LBPRGKRZSA-N 1 0 307.350 1.704 20 5 DDBDRO [NH3+]CC[C@H]1CCCN(C(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000281973926 408963745 /nfs/dbraw/zinc/96/37/45/408963745.db2.gz OCPKQKNSBWOYSV-GFCCVEGCSA-N 1 0 307.350 1.561 20 5 DDBDRO Nc1c(C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)cccc1[N+](=O)[O-] ZINC000277610460 408976439 /nfs/dbraw/zinc/97/64/39/408976439.db2.gz VFTQPMXPGQPLQU-GFCCVEGCSA-N 1 0 318.377 1.924 20 5 DDBDRO Cc1cc(C(=O)N2CCC[C@@H](CC[NH3+])C2)c(N)c([N+](=O)[O-])c1 ZINC000282070064 408984571 /nfs/dbraw/zinc/98/45/71/408984571.db2.gz WSVOHQWVYCYQBY-NSHDSACASA-N 1 0 306.366 1.686 20 5 DDBDRO C[C@H]1C[C@@H](O)CCN1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000292280667 409015777 /nfs/dbraw/zinc/01/57/77/409015777.db2.gz BQVYNTCAFPWMCX-FZMZJTMJSA-N 1 0 319.361 1.329 20 5 DDBDRO Cc1cc(N2CCO[C@@H]3CC[N@@H+](C)C[C@H]32)c(F)cc1[N+](=O)[O-] ZINC000292701791 409040013 /nfs/dbraw/zinc/04/00/13/409040013.db2.gz SBOMCNDSZACXGE-HUUCEWRRSA-N 1 0 309.341 1.952 20 5 DDBDRO O=C(NCC1CC[NH+](C2CC2)CC1)Nc1ccncc1[N+](=O)[O-] ZINC000278050488 409057651 /nfs/dbraw/zinc/05/76/51/409057651.db2.gz CYYZJZVQSQVQTO-UHFFFAOYSA-N 1 0 319.365 1.986 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)n1 ZINC000287723351 409082610 /nfs/dbraw/zinc/08/26/10/409082610.db2.gz FKUQSNPAWRNZQE-UWVGGRQHSA-N 1 0 320.349 1.814 20 5 DDBDRO CN(CC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1)c1ccccc1[N+](=O)[O-] ZINC000293407214 409106896 /nfs/dbraw/zinc/10/68/96/409106896.db2.gz MYGNRJXPVCAXAE-STQMWFEESA-N 1 0 318.377 1.241 20 5 DDBDRO Cc1ccc(NC(=O)c2cc([C@H]3CC[NH2+]C3)[nH]n2)cc1[N+](=O)[O-] ZINC000279106284 409149802 /nfs/dbraw/zinc/14/98/02/409149802.db2.gz XUDXOPPHUOXXSZ-JTQLQIEISA-N 1 0 315.333 1.956 20 5 DDBDRO COC[C@]1(CNC(=O)c2cc(C)cc([N+](=O)[O-])c2)CCC[NH2+]1 ZINC000261984709 163743014 /nfs/dbraw/zinc/74/30/14/163743014.db2.gz AUVKWLUSTUTSTH-OAHLLOKOSA-N 1 0 307.350 1.402 20 5 DDBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@@H](CO)[C@H]2CCOC2)c1 ZINC000280251338 409277692 /nfs/dbraw/zinc/27/76/92/409277692.db2.gz IXLWRYUFORINKF-JQWIXIFHSA-N 1 0 314.769 1.983 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCCC[N@@H+](C)CCN(C)C)c1 ZINC000290368076 409376966 /nfs/dbraw/zinc/37/69/66/409376966.db2.gz ATWLTIYXFVBPIR-UHFFFAOYSA-N 1 0 322.409 1.517 20 5 DDBDRO Cc1sc(C(=O)N2CCNC[C@@](C)(F)C2)cc1[N+](=O)[O-] ZINC000295240931 409394510 /nfs/dbraw/zinc/39/45/10/409394510.db2.gz PCNFOQOTHCRVEJ-GFCCVEGCSA-N 1 0 301.343 1.738 20 5 DDBDRO Cc1c(CC(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000290292292 409349686 /nfs/dbraw/zinc/34/96/86/409349686.db2.gz DILMRYPIDCXLND-KBPBESRZSA-N 1 0 303.362 1.514 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)[C@H]1C[C@@H](OC)C1 ZINC000285474121 409458517 /nfs/dbraw/zinc/45/85/17/409458517.db2.gz VGYVMWAZPLKGKC-TXEJJXNPSA-N 1 0 323.349 1.651 20 5 DDBDRO CO[C@H]1C[C@@H](CN(C)C(=O)c2c(C)cccc2[N+](=O)[O-])[N@H+](C)C1 ZINC000285185034 409401802 /nfs/dbraw/zinc/40/18/02/409401802.db2.gz VTMUTEZGXZWDFE-STQMWFEESA-N 1 0 321.377 1.694 20 5 DDBDRO CS[C@H]1CCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000296120951 409437614 /nfs/dbraw/zinc/43/76/14/409437614.db2.gz FNKLHGLBFALPDJ-ZDUSSCGKSA-N 1 0 309.391 1.995 20 5 DDBDRO CCc1nn(C)c(NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)c1[N+](=O)[O-] ZINC000317844505 164028476 /nfs/dbraw/zinc/02/84/76/164028476.db2.gz YAJXIMXGAIDACF-QWRGUYRKSA-N 1 0 309.370 1.166 20 5 DDBDRO CC[C@@H](NC(=O)CCOC1C[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000348989572 164103998 /nfs/dbraw/zinc/10/39/98/164103998.db2.gz CULFNJKFWYUERJ-CQSZACIVSA-N 1 0 307.350 1.541 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357095052 164138244 /nfs/dbraw/zinc/13/82/44/164138244.db2.gz ZVOJRWYLPKIGGQ-OLZOCXBDSA-N 1 0 318.377 1.383 20 5 DDBDRO CCc1nn(C)c(N2CC[C@@H]([NH+]3CCCCC3)C2)c1[N+](=O)[O-] ZINC000408077591 164219731 /nfs/dbraw/zinc/21/97/31/164219731.db2.gz ZOFPJYDPOXBCCV-GFCCVEGCSA-N 1 0 307.398 1.955 20 5 DDBDRO Cc1n[nH]c(C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000408098377 164227528 /nfs/dbraw/zinc/22/75/28/164227528.db2.gz FNKBGWIPWKLNPX-NSHDSACASA-N 1 0 307.354 1.327 20 5 DDBDRO C[N@@H+]1CC[C@H]2OCCN(C(=O)c3csc([N+](=O)[O-])c3)[C@H]2C1 ZINC000285592930 409503020 /nfs/dbraw/zinc/50/30/20/409503020.db2.gz CALDFNMWFSPXNF-WDEREUQCSA-N 1 0 311.363 1.201 20 5 DDBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]CCN2CCC2)c1 ZINC000344876003 409538444 /nfs/dbraw/zinc/53/84/44/409538444.db2.gz CDSFZBLWOZRYBM-UHFFFAOYSA-N 1 0 301.293 1.992 20 5 DDBDRO Cn1ccnc1C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000331501774 409574910 /nfs/dbraw/zinc/57/49/10/409574910.db2.gz BOEKKKLSLQTLQZ-NEPJUHHUSA-N 1 0 304.354 1.798 20 5 DDBDRO CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296852444 409666139 /nfs/dbraw/zinc/66/61/39/409666139.db2.gz YEGSWYRRRZVXTI-WDEREUQCSA-N 1 0 322.365 1.868 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)CCCC[NH3+] ZINC000314470315 409828151 /nfs/dbraw/zinc/82/81/51/409828151.db2.gz CXMXKNAARDWVOH-NSHDSACASA-N 1 0 315.395 1.699 20 5 DDBDRO COc1ccc(OCCN2CC[C@H]3C[NH2+]C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000357070002 409838028 /nfs/dbraw/zinc/83/80/28/409838028.db2.gz ILQNCFMCROUELN-STQMWFEESA-N 1 0 321.377 1.524 20 5 DDBDRO CN(C(=O)CN1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000357092791 409864981 /nfs/dbraw/zinc/86/49/81/409864981.db2.gz XMSOQAXMJYDXKQ-CHWSQXEVSA-N 1 0 318.377 1.099 20 5 DDBDRO CC[N@@H+]1CCCN(C(=O)c2cccc(OC)c2[N+](=O)[O-])CC1 ZINC000332215348 409983180 /nfs/dbraw/zinc/98/31/80/409983180.db2.gz IEPYOVBVQGYVHY-UHFFFAOYSA-N 1 0 307.350 1.771 20 5 DDBDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000324475720 409927540 /nfs/dbraw/zinc/92/75/40/409927540.db2.gz FFXSXINBBXHEFF-JTQLQIEISA-N 1 0 324.356 1.776 20 5 DDBDRO COC(=O)c1cc(C)nc(N[C@H]2CCC[N@H+](C)[C@H]2C)c1[N+](=O)[O-] ZINC000342835808 409937803 /nfs/dbraw/zinc/93/78/03/409937803.db2.gz QOPXAQBAOVVKHY-JQWIXIFHSA-N 1 0 322.365 1.979 20 5 DDBDRO CCO[C@@H]1C[C@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)[C@@H]1SC ZINC000297790039 410001690 /nfs/dbraw/zinc/00/16/90/410001690.db2.gz WRJZCYLPCLBMKQ-TUAOUCFPSA-N 1 0 300.384 1.290 20 5 DDBDRO Cn1c(C(=O)NCc2ccc(C[NH+](C)C)cc2)ccc1[N+](=O)[O-] ZINC000342930811 410006501 /nfs/dbraw/zinc/00/65/01/410006501.db2.gz VZMNQTRKYNKWSD-UHFFFAOYSA-N 1 0 316.361 1.925 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[N@@H+](C)CC1 ZINC000298108070 410118455 /nfs/dbraw/zinc/11/84/55/410118455.db2.gz OQFBTTACRHFJEL-UHFFFAOYSA-N 1 0 320.393 1.869 20 5 DDBDRO Cc1ccc(NC(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1[N+](=O)[O-] ZINC000332716098 410230356 /nfs/dbraw/zinc/23/03/56/410230356.db2.gz VXRBQBYDXPBQNY-NEPJUHHUSA-N 1 0 304.350 1.976 20 5 DDBDRO CC[C@H](CNc1ncc([N+](=O)[O-])cc1C(N)=O)[NH+]1CCCC1 ZINC000298456010 410234917 /nfs/dbraw/zinc/23/49/17/410234917.db2.gz JKYFIGRERBHTAV-SNVBAGLBSA-N 1 0 307.354 1.375 20 5 DDBDRO C[NH+](C)CCN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000194225916 306728465 /nfs/dbraw/zinc/72/84/65/306728465.db2.gz XQAVGIAXLXBXMQ-UHFFFAOYSA-N 1 0 324.356 1.053 20 5 DDBDRO Cc1ccc(S(=O)(=O)NC[C@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000299208602 410568051 /nfs/dbraw/zinc/56/80/51/410568051.db2.gz ASLHVPPNPNNHBI-LLVKDONJSA-N 1 0 313.379 1.276 20 5 DDBDRO CC[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C[C@H](C)O ZINC000352224156 410562997 /nfs/dbraw/zinc/56/29/97/410562997.db2.gz ZGONITMWYMWADH-NSHDSACASA-N 1 0 307.350 1.187 20 5 DDBDRO Cn1nncc1C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000352599015 410671362 /nfs/dbraw/zinc/67/13/62/410671362.db2.gz XDNONBZCJCEUSE-RYUDHWBXSA-N 1 0 305.342 1.193 20 5 DDBDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337299227 410698006 /nfs/dbraw/zinc/69/80/06/410698006.db2.gz MGDUOFBPHNPWIR-QWHCGFSZSA-N 1 0 320.393 1.948 20 5 DDBDRO O=C(CC[N@@H+](CCO)CC1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000337340848 410721935 /nfs/dbraw/zinc/72/19/35/410721935.db2.gz UDIXZJXDHDSTOE-UHFFFAOYSA-N 1 0 307.350 1.628 20 5 DDBDRO Cn1c(C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)ccc1[N+](=O)[O-] ZINC000356116325 410846512 /nfs/dbraw/zinc/84/65/12/410846512.db2.gz YUVHBCHIIKSTLI-UHFFFAOYSA-N 1 0 312.289 1.766 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)NCC[N@@H+]2CCCC[C@@H]2C)n1 ZINC000331209012 411021103 /nfs/dbraw/zinc/02/11/03/411021103.db2.gz QBQFQONQAIEBOI-NSHDSACASA-N 1 0 309.370 1.415 20 5 DDBDRO Cc1nn(C)c(NC[C@H]2CCC[C@H]2[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000360230821 411106958 /nfs/dbraw/zinc/10/69/58/411106958.db2.gz REHMXRSNRBHCPP-CHWSQXEVSA-N 1 0 323.397 1.550 20 5 DDBDRO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000415627292 224675317 /nfs/dbraw/zinc/67/53/17/224675317.db2.gz BBHCPWCOCCOMSA-ZANVPECISA-N 1 0 308.313 1.950 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@H]([NH3+])C1CC1 ZINC000417181221 225236039 /nfs/dbraw/zinc/23/60/39/225236039.db2.gz NTVZMARYHSLMDI-LBPRGKRZSA-N 1 0 308.338 1.140 20 5 DDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000417765001 225430833 /nfs/dbraw/zinc/43/08/33/225430833.db2.gz NHBAZCJDTKUDGB-KBPBESRZSA-N 1 0 318.377 1.531 20 5 DDBDRO C[C@H](NC(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1)c1ccccc1[N+](=O)[O-] ZINC000417991468 225538533 /nfs/dbraw/zinc/53/85/33/225538533.db2.gz VNESZYXEIPVVKO-AVGNSLFASA-N 1 0 318.377 1.907 20 5 DDBDRO Cc1nn(C)c(C(=O)N2CCC[C@H]3C[NH2+]CCC[C@@H]32)c1[N+](=O)[O-] ZINC000373549479 418437695 /nfs/dbraw/zinc/43/76/95/418437695.db2.gz SJNMNOPNXNUZOE-RYUDHWBXSA-N 1 0 321.381 1.241 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC[C@H]([C@H]3CCOC3)C2)c1 ZINC000374387553 418525974 /nfs/dbraw/zinc/52/59/74/418525974.db2.gz BMJJYZXWCHCHJB-OFQRWUPVSA-N 1 0 306.362 1.987 20 5 DDBDRO COc1cccc(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000194462085 418543911 /nfs/dbraw/zinc/54/39/11/418543911.db2.gz GTLDMZAERZSTKV-LLVKDONJSA-N 1 0 307.350 1.770 20 5 DDBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000291044086 222093759 /nfs/dbraw/zinc/09/37/59/222093759.db2.gz WWLUOOFPPSIGFJ-LLVKDONJSA-N 1 0 311.386 1.336 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N(CC[NH+](C)C)C2CCCC2)n1 ZINC000191659528 222106515 /nfs/dbraw/zinc/10/65/15/222106515.db2.gz VDDGOTVPARKORL-UHFFFAOYSA-N 1 0 323.397 1.758 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)n1 ZINC000191787810 222109402 /nfs/dbraw/zinc/10/94/02/222109402.db2.gz ZLGHEYWHUBLBNJ-LBPRGKRZSA-N 1 0 323.397 1.661 20 5 DDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000361125880 418587915 /nfs/dbraw/zinc/58/79/15/418587915.db2.gz UMGIWETTYCSOGX-NSHDSACASA-N 1 0 304.350 1.487 20 5 DDBDRO COc1ccc(OCC[N@@H+]2CC[C@@H](O)C2(C)C)c([N+](=O)[O-])c1 ZINC000361420923 418649943 /nfs/dbraw/zinc/64/99/43/418649943.db2.gz QECWKSOVMSGMPZ-CQSZACIVSA-N 1 0 310.350 1.827 20 5 DDBDRO C[C@@H]1C[C@@H](Nc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CC[N@@H+]1C ZINC000342362619 418627925 /nfs/dbraw/zinc/62/79/25/418627925.db2.gz QRSDBNNVDMDYND-ZJUUUORDSA-N 1 0 317.349 2.138 20 5 DDBDRO COc1cc(C[N@H+](CCO)[C@@H]2CCO[C@H]2C)ccc1[N+](=O)[O-] ZINC000361585429 418686539 /nfs/dbraw/zinc/68/65/39/418686539.db2.gz IIPOHVDRKVSNAG-WCQYABFASA-N 1 0 310.350 1.575 20 5 DDBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC(S(N)(=O)=O)CC1 ZINC000361744171 418704578 /nfs/dbraw/zinc/70/45/78/418704578.db2.gz MGWVXCOUINEDQL-SNVBAGLBSA-N 1 0 313.379 1.409 20 5 DDBDRO Nc1ccc(C(=O)NC2CC([NH+]3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000365440577 418860758 /nfs/dbraw/zinc/86/07/58/418860758.db2.gz VOGCTDJYOLNBJX-UHFFFAOYSA-N 1 0 318.377 1.924 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(CC(=O)NC[C@H](C)[NH+](C)C)c1F ZINC000411372208 418897282 /nfs/dbraw/zinc/89/72/82/418897282.db2.gz BOJDDOCUJGRFSU-VIFPVBQESA-N 1 0 313.329 1.351 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424230677 228249835 /nfs/dbraw/zinc/24/98/35/228249835.db2.gz BIMPWWNLYMMNFK-UHFFFAOYSA-N 1 0 303.322 1.506 20 5 DDBDRO CN(CC(=O)Nc1ccccc1[N+](=O)[O-])C[C@H]1CCC[N@@H+]1C ZINC000420994804 419432083 /nfs/dbraw/zinc/43/20/83/419432083.db2.gz CQVSQESLCBRAPC-GFCCVEGCSA-N 1 0 306.366 1.559 20 5 DDBDRO O=[N+]([O-])c1cc(F)c(C[NH2+][C@H](CO)[C@H]2CCCOC2)c(F)c1 ZINC000411988691 419548920 /nfs/dbraw/zinc/54/89/20/419548920.db2.gz OOMXEJYCTQPAQI-LKFCYVNXSA-N 1 0 316.304 1.750 20 5 DDBDRO Cc1c(CNC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000418076919 419514090 /nfs/dbraw/zinc/51/40/90/419514090.db2.gz HGZZRJVRJXBCJC-BETUJISGSA-N 1 0 304.350 1.264 20 5 DDBDRO COc1cc(CN2CC[C@@H]3[NH2+]CC[C@H]3C2)c([N+](=O)[O-])cc1OC ZINC000427130762 419597921 /nfs/dbraw/zinc/59/79/21/419597921.db2.gz LQKMFDYALDXCRD-AAEUAGOBSA-N 1 0 321.377 1.796 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@](C)(O)C[NH+](C)C ZINC000421793499 419732675 /nfs/dbraw/zinc/73/26/75/419732675.db2.gz WKLKZYLHQAUIIG-HNNXBMFYSA-N 1 0 309.366 1.254 20 5 DDBDRO CNc1c(C(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000427790020 419734604 /nfs/dbraw/zinc/73/46/04/419734604.db2.gz QSOVUCCYUIXNAY-PHIMTYICSA-N 1 0 304.350 1.270 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000428032667 419794015 /nfs/dbraw/zinc/79/40/15/419794015.db2.gz KPHVZXAUMIHQCR-STQMWFEESA-N 1 0 318.377 1.526 20 5 DDBDRO CC[C@@]1(O)CC[N@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000428441567 419866938 /nfs/dbraw/zinc/86/69/38/419866938.db2.gz WQAASDVLUJKEDT-OAHLLOKOSA-N 1 0 310.350 1.959 20 5 DDBDRO COc1ccc(NC(=O)CN2CC[C@@H]([NH3+])[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000430927062 228978827 /nfs/dbraw/zinc/97/88/27/228978827.db2.gz HWHCSLQUEQLVMD-CMPLNLGQSA-N 1 0 322.365 1.211 20 5 DDBDRO COc1cc(CN[C@@H](C)C[NH3+])c([N+](=O)[O-])cc1OCC(F)F ZINC000414948635 419887222 /nfs/dbraw/zinc/88/72/22/419887222.db2.gz XXTFVNIALDRTJJ-QMMMGPOBSA-N 1 0 319.308 1.684 20 5 DDBDRO C[NH2+]Cc1ccccc1NC(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000428558786 419892897 /nfs/dbraw/zinc/89/28/97/419892897.db2.gz OAESPVPAMLLIDZ-UHFFFAOYSA-N 1 0 303.322 1.608 20 5 DDBDRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000418602624 419896077 /nfs/dbraw/zinc/89/60/77/419896077.db2.gz WAIDLFXPGARHNN-IUODEOHRSA-N 1 0 320.393 1.777 20 5 DDBDRO C[C@H](O)C[NH+]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000428411440 419863146 /nfs/dbraw/zinc/86/31/46/419863146.db2.gz DOBMADSFWGIUEH-SDQPKGBYSA-N 1 0 305.378 1.606 20 5 DDBDRO Cc1nn(C)c(NCCC[N@@H+]2CCCO[C@@H](C)C2)c1[N+](=O)[O-] ZINC000432863583 229134019 /nfs/dbraw/zinc/13/40/19/229134019.db2.gz BAQRXEHSQNWHQZ-NSHDSACASA-N 1 0 311.386 1.550 20 5 DDBDRO Cc1n[nH]c(C(=O)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000299578654 229226924 /nfs/dbraw/zinc/22/69/24/229226924.db2.gz XEDPTULILQQYAX-OUAUKWLOSA-N 1 0 323.397 1.723 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(C1CC1)[C@H]1CC[NH2+]C1 ZINC000435240896 229366012 /nfs/dbraw/zinc/36/60/12/229366012.db2.gz CMLWCPUIEMAPNW-AWEZNQCLSA-N 1 0 318.377 1.668 20 5 DDBDRO CC(C)([NH2+]CCC(=O)N1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000429254320 419994132 /nfs/dbraw/zinc/99/41/32/419994132.db2.gz KEOFBNLNFPKLNV-UHFFFAOYSA-N 1 0 321.377 1.668 20 5 DDBDRO CSC[C@@H]1CCC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000429295843 419998360 /nfs/dbraw/zinc/99/83/60/419998360.db2.gz BGXDXQPPLUGMSP-YPMHNXCESA-N 1 0 314.411 1.227 20 5 DDBDRO CCOC(=O)c1cc(C(=O)NC[C@@H](C)C[NH3+])cc([N+](=O)[O-])c1 ZINC000423463801 420056375 /nfs/dbraw/zinc/05/63/75/420056375.db2.gz VILYCVPTMMIYLX-VIFPVBQESA-N 1 0 309.322 1.096 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](CC(N)=O)C1 ZINC000430236367 420094015 /nfs/dbraw/zinc/09/40/15/420094015.db2.gz HDVAOFPZJAVJRA-LLVKDONJSA-N 1 0 307.350 1.691 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000423630646 420107060 /nfs/dbraw/zinc/10/70/60/420107060.db2.gz YVQBYROKCBDYET-UHFFFAOYSA-N 1 0 317.349 1.320 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430565167 420140225 /nfs/dbraw/zinc/14/02/25/420140225.db2.gz OMNPPKAIXPRBSU-STQMWFEESA-N 1 0 320.393 1.901 20 5 DDBDRO COCC[NH2+]CCNC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC000423520765 420071076 /nfs/dbraw/zinc/07/10/76/420071076.db2.gz QGHYIFTZFMOGPD-UHFFFAOYSA-N 1 0 309.366 1.486 20 5 DDBDRO CC1(C)C[C@@H]([NH2+]C[C@H]2CNCCO2)c2cc([N+](=O)[O-])ccc21 ZINC000423580173 420086892 /nfs/dbraw/zinc/08/68/92/420086892.db2.gz XHTIRRHKOZJKPL-IUODEOHRSA-N 1 0 305.378 1.895 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1CC[NH2+]C1(C)C ZINC000415502114 420092081 /nfs/dbraw/zinc/09/20/81/420092081.db2.gz MVMDTDPJOQWCEV-LBPRGKRZSA-N 1 0 308.338 1.865 20 5 DDBDRO C[C@](CN)([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000420295098 420187303 /nfs/dbraw/zinc/18/73/03/420187303.db2.gz UUOCSXYNIYUJML-OAHLLOKOSA-N 1 0 306.366 1.640 20 5 DDBDRO C[C@@H]1CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC[NH2+]1 ZINC000420296131 420189516 /nfs/dbraw/zinc/18/95/16/420189516.db2.gz PXOOESBTJJUGCI-SECBINFHSA-N 1 0 312.757 1.480 20 5 DDBDRO C[NH+](C)C1(CNc2cccc(C(N)=O)c2[N+](=O)[O-])CCCC1 ZINC000439102631 229688204 /nfs/dbraw/zinc/68/82/04/229688204.db2.gz UDJPVCYHLWIHBJ-UHFFFAOYSA-N 1 0 306.366 1.980 20 5 DDBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC([C@H](C)[NH3+])CC1 ZINC000430921132 420205917 /nfs/dbraw/zinc/20/59/17/420205917.db2.gz XDKWZGBCBCWHOF-NWDGAFQWSA-N 1 0 320.393 1.981 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430920880 420206616 /nfs/dbraw/zinc/20/66/16/420206616.db2.gz QTDHAGXQUKMVOW-DGCLKSJQSA-N 1 0 306.366 1.511 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CC[C@H](C[NH3+])C1 ZINC000430925378 420208061 /nfs/dbraw/zinc/20/80/61/420208061.db2.gz KXBSXVNKJFWYJG-WDEREUQCSA-N 1 0 322.365 1.211 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430578813 420145254 /nfs/dbraw/zinc/14/52/54/420145254.db2.gz FRQPCJCWWKIWLQ-QWHCGFSZSA-N 1 0 320.393 1.901 20 5 DDBDRO O=C(CC1CC[NH2+]CC1)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000423732240 420146522 /nfs/dbraw/zinc/14/65/22/420146522.db2.gz YTYLPSFTDHFKRG-UHFFFAOYSA-N 1 0 303.322 1.799 20 5 DDBDRO O=[N+]([O-])c1cccc2ncnc(NCC[C@@H]3CCC[NH2+]C3)c21 ZINC000420210782 420153064 /nfs/dbraw/zinc/15/30/64/420153064.db2.gz SOKCMMDPSVPPEK-NSHDSACASA-N 1 0 301.350 2.340 20 5 DDBDRO COc1cc(C(=O)NC[C@H]2C[NH2+]CCCO2)cc([N+](=O)[O-])c1C ZINC000423750358 420158018 /nfs/dbraw/zinc/15/80/18/420158018.db2.gz UTZOPPYNMGPCTA-GFCCVEGCSA-N 1 0 323.349 1.020 20 5 DDBDRO Cc1ccc(NC(=O)C(=O)N[C@@H](C)CCCC[NH3+])cc1[N+](=O)[O-] ZINC000415744049 420161118 /nfs/dbraw/zinc/16/11/18/420161118.db2.gz PIBNSBCSTJSANA-NSHDSACASA-N 1 0 322.365 1.475 20 5 DDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430968238 420228214 /nfs/dbraw/zinc/22/82/14/420228214.db2.gz WGKHPBMPFYKHBO-GYSYKLTISA-N 1 0 306.366 1.591 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420377084 420247437 /nfs/dbraw/zinc/24/74/37/420247437.db2.gz KPRMGLODOSQQII-YPMHNXCESA-N 1 0 320.393 1.758 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000433847086 420255068 /nfs/dbraw/zinc/25/50/68/420255068.db2.gz CMMMJRVOHNNBAT-MNOVXSKESA-N 1 0 321.381 1.798 20 5 DDBDRO COc1ccc(OCCN2CC[C@H](C)[C@@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000420396957 420262218 /nfs/dbraw/zinc/26/22/18/420262218.db2.gz FMXUGTIKASRLQR-STQMWFEESA-N 1 0 323.393 1.899 20 5 DDBDRO C[NH+](C)C1(CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 ZINC000416292022 420310961 /nfs/dbraw/zinc/31/09/61/420310961.db2.gz QAAJDUUYHRFBTK-UHFFFAOYSA-N 1 0 302.334 1.900 20 5 DDBDRO C[C@H](C[NH+]1CCCCC1)Nc1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420580194 420321751 /nfs/dbraw/zinc/32/17/51/420321751.db2.gz CAKBAOIMFAXFQU-LLVKDONJSA-N 1 0 306.366 1.980 20 5 DDBDRO CS[C@H]1CN(c2c(C(N)=O)cccc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000420598119 420326959 /nfs/dbraw/zinc/32/69/59/420326959.db2.gz BOWADWBAMBMFQR-RYUDHWBXSA-N 1 0 324.406 1.176 20 5 DDBDRO C[N@@H+]1CC[C@]2(CCN(c3c(C(N)=O)cccc3[N+](=O)[O-])C2)C1 ZINC000420644193 420340201 /nfs/dbraw/zinc/34/02/01/420340201.db2.gz WPTKCXMHFVYUJP-HNNXBMFYSA-N 1 0 304.350 1.226 20 5 DDBDRO C[C@H]1CN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C[C@@H]1[NH3+] ZINC000423989984 420295040 /nfs/dbraw/zinc/29/50/40/420295040.db2.gz YYBVIIDKJAFRQC-JQWIXIFHSA-N 1 0 315.333 1.200 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000423997029 420297821 /nfs/dbraw/zinc/29/78/21/420297821.db2.gz KVLSNOMAWXMWSF-GFCCVEGCSA-N 1 0 307.350 1.238 20 5 DDBDRO Cc1cc(N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000302487353 230264585 /nfs/dbraw/zinc/26/45/85/230264585.db2.gz IVJGABCLFKNWML-LBPRGKRZSA-N 1 0 308.382 1.580 20 5 DDBDRO C[C@@]1(C[NH3+])CCN(C(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000417765557 420472708 /nfs/dbraw/zinc/47/27/08/420472708.db2.gz NZOXBORVZCRDOE-HNNXBMFYSA-N 1 0 306.366 1.518 20 5 DDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCCC[N@H+]1CCO ZINC000452792475 420662843 /nfs/dbraw/zinc/66/28/43/420662843.db2.gz GFTCIJVEXMWCRO-OAHLLOKOSA-N 1 0 321.377 1.100 20 5 DDBDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000493048884 420743018 /nfs/dbraw/zinc/74/30/18/420743018.db2.gz NDVNYQPHWRFPAJ-ZIAVJRNFSA-N 1 0 307.325 1.943 20 5 DDBDRO O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])NC[C@@H]1C[NH2+]CCCO1 ZINC000493066357 420747941 /nfs/dbraw/zinc/74/79/41/420747941.db2.gz XSJIWZVZPKDKMJ-LQPUYASZSA-N 1 0 323.324 1.242 20 5 DDBDRO C[NH+](C)C(C)(C)CNc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000443419668 420752049 /nfs/dbraw/zinc/75/20/49/420752049.db2.gz RHXHDZGLNBTCOQ-UHFFFAOYSA-N 1 0 305.338 2.397 20 5 DDBDRO COc1cccc(C(=O)N2CC[N@H+](C)CC[C@H]2C)c1[N+](=O)[O-] ZINC000444270534 420756087 /nfs/dbraw/zinc/75/60/87/420756087.db2.gz RJTVFAQAWGNVMA-LLVKDONJSA-N 1 0 307.350 1.770 20 5 DDBDRO O=[N+]([O-])c1cccc2ncnc(NCC[N@@H+]3CCCOCC3)c21 ZINC000445659498 420761198 /nfs/dbraw/zinc/76/11/98/420761198.db2.gz GBHSCYPKNHMPOQ-UHFFFAOYSA-N 1 0 317.349 1.672 20 5 DDBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C[C@H](C[NH3+])C[C@H]1C ZINC000442759115 420710209 /nfs/dbraw/zinc/71/02/09/420710209.db2.gz KGJMNTNXFKZLLW-WOPDTQHZSA-N 1 0 306.366 1.591 20 5 DDBDRO NC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000453374651 420723184 /nfs/dbraw/zinc/72/31/84/420723184.db2.gz SMBKBWOOTFVKRX-YVECIDJPSA-N 1 0 321.381 1.519 20 5 DDBDRO C[NH+](C)CCOCCNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000471647272 420937663 /nfs/dbraw/zinc/93/76/63/420937663.db2.gz GBHYYTUJOVOYIU-UHFFFAOYSA-N 1 0 324.381 1.015 20 5 DDBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000449522428 421022213 /nfs/dbraw/zinc/02/22/13/421022213.db2.gz KTPROPGWHCEDRA-HLIIYUEKSA-N 1 0 315.329 1.203 20 5 DDBDRO CC[N@@H+]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(NC)n2)C1 ZINC000455480938 421022402 /nfs/dbraw/zinc/02/24/02/421022402.db2.gz QNMQDQJNUZWJNU-JTQLQIEISA-N 1 0 307.354 1.246 20 5 DDBDRO C[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000488721176 421108494 /nfs/dbraw/zinc/10/84/94/421108494.db2.gz RNJVJSBHPMSJNV-ZYHUDNBSSA-N 1 0 318.333 1.848 20 5 DDBDRO CSCC[C@H]([NH3+])C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000455816637 421065273 /nfs/dbraw/zinc/06/52/73/421065273.db2.gz XFQLQPSUAFJJJF-NSHDSACASA-N 1 0 317.798 1.945 20 5 DDBDRO COCC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCOC1 ZINC000490069521 421187771 /nfs/dbraw/zinc/18/77/71/421187771.db2.gz VBXFTKZJVPIDLB-CQSZACIVSA-N 1 0 310.350 1.711 20 5 DDBDRO O=[N+]([O-])c1cccc2c1ccnc2NC[C@H]1CN2CCN1CC2 ZINC000450391833 421191989 /nfs/dbraw/zinc/19/19/89/421191989.db2.gz NNLXNROHKPFATH-LBPRGKRZSA-N 1 0 313.361 1.555 20 5 DDBDRO COc1cccc(NC[C@@H]2CCC[N@@H+]2CCCO)c1[N+](=O)[O-] ZINC000450588330 421213210 /nfs/dbraw/zinc/21/32/10/421213210.db2.gz AXMIUHQNTLXGLY-LBPRGKRZSA-N 1 0 309.366 1.862 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@H](C)[NH+]1CCCC1 ZINC000522757124 421225425 /nfs/dbraw/zinc/22/54/25/421225425.db2.gz VGIORGWRIRCBOQ-NSHDSACASA-N 1 0 309.370 1.090 20 5 DDBDRO COc1ccc(CC(=O)N2CCC[N@H+](C)CC2)cc1[N+](=O)[O-] ZINC000524444346 421260825 /nfs/dbraw/zinc/26/08/25/421260825.db2.gz GSVSSSNCXHGSNO-UHFFFAOYSA-N 1 0 307.350 1.310 20 5 DDBDRO C[C@@H]1C[N@H+](CCO)CCN1c1ccc2ncccc2c1[N+](=O)[O-] ZINC000562705930 421403016 /nfs/dbraw/zinc/40/30/16/421403016.db2.gz CVANVLJFIBJGNR-GFCCVEGCSA-N 1 0 316.361 1.646 20 5 DDBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H](O)COC2CCOCC2)c1 ZINC000562985683 421435264 /nfs/dbraw/zinc/43/52/64/421435264.db2.gz KDRQOFYLIBIMRW-CQSZACIVSA-N 1 0 310.350 1.241 20 5 DDBDRO C[N@H+](CCNC(=O)c1c[nH]nc1[N+](=O)[O-])Cc1ccccc1 ZINC000548411965 421435508 /nfs/dbraw/zinc/43/55/08/421435508.db2.gz QTVXWBOVPKFNIK-UHFFFAOYSA-N 1 0 303.322 1.180 20 5 DDBDRO C[N@H+](CCCNC(=O)c1c[nH]nc1[N+](=O)[O-])Cc1ccccc1 ZINC000548407895 421435934 /nfs/dbraw/zinc/43/59/34/421435934.db2.gz XOHRKMGTUPNGKR-UHFFFAOYSA-N 1 0 317.349 1.570 20 5 DDBDRO Cc1noc(C)c1[C@H](C)C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000515832320 421517899 /nfs/dbraw/zinc/51/78/99/421517899.db2.gz RQMFCZUHHQAGFX-RNCFNFMXSA-N 1 0 323.353 1.150 20 5 DDBDRO C[N@@H+]1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000551038775 421526570 /nfs/dbraw/zinc/52/65/70/421526570.db2.gz DDKKBKYNUHRGHA-CYBMUJFWSA-N 1 0 323.393 1.361 20 5 DDBDRO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CCC2(CC[NH2+]2)CC1 ZINC000563886388 421552441 /nfs/dbraw/zinc/55/24/41/421552441.db2.gz VUNWPUICHYLXSE-UHFFFAOYSA-N 1 0 315.333 1.439 20 5 DDBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cc([N+](=O)[O-])cn1C ZINC000552041289 421570606 /nfs/dbraw/zinc/57/06/06/421570606.db2.gz HHPRWCOVBJIQAV-NWDGAFQWSA-N 1 0 306.366 1.632 20 5 DDBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cc([N+](=O)[O-])cn1C ZINC000552041288 421571060 /nfs/dbraw/zinc/57/10/60/421571060.db2.gz HHPRWCOVBJIQAV-NEPJUHHUSA-N 1 0 306.366 1.632 20 5 DDBDRO C[C@@H]1C[NH+](CCCNC(=O)c2cc([N+](=O)[O-])cn2C)C[C@@H](C)O1 ZINC000516387136 421543984 /nfs/dbraw/zinc/54/39/84/421543984.db2.gz DEWCGZADPYNNRY-VXGBXAGGSA-N 1 0 324.381 1.162 20 5 DDBDRO Cc1nccn1CCCN(C)C(=O)c1cc([N+](=O)[O-])cn1C ZINC000532639713 421662378 /nfs/dbraw/zinc/66/23/78/421662378.db2.gz WUZFQEIABUDDDR-UHFFFAOYSA-N 1 0 305.338 1.601 20 5 DDBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000572313320 421776569 /nfs/dbraw/zinc/77/65/69/421776569.db2.gz KYOSWOWNWSYEAH-OAHLLOKOSA-N 1 0 319.361 1.717 20 5 DDBDRO CCc1nn(C)c(N2CCC([C@@H]3CC[NH2+]C3)CC2)c1[N+](=O)[O-] ZINC000581300807 421941809 /nfs/dbraw/zinc/94/18/09/421941809.db2.gz DGRHQQHPTQICMO-GFCCVEGCSA-N 1 0 307.398 1.717 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CC(C)(C(N)=O)C1 ZINC000573363858 421953015 /nfs/dbraw/zinc/95/30/15/421953015.db2.gz WKHYQZGKXMASON-UHFFFAOYSA-N 1 0 320.349 1.039 20 5 DDBDRO CCO[C@H]1C[C@@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000573358165 421954117 /nfs/dbraw/zinc/95/41/17/421954117.db2.gz GCJLVMIPWYTRNM-CORIIIEPSA-N 1 0 310.350 1.492 20 5 DDBDRO C[NH+](C)CCc1ccc(NC(=O)c2c[nH]nc2[N+](=O)[O-])cc1 ZINC000581357616 421954879 /nfs/dbraw/zinc/95/48/79/421954879.db2.gz PDSZOJSXDXVLMY-UHFFFAOYSA-N 1 0 303.322 1.674 20 5 DDBDRO CCc1n[nH]c(C(=O)N2[C@H](C)C[NH+](CC)C[C@H]2C)c1[N+](=O)[O-] ZINC000573697416 422003534 /nfs/dbraw/zinc/00/35/34/422003534.db2.gz SWTQUTIBHGJOJS-NXEZZACHSA-N 1 0 309.370 1.435 20 5 DDBDRO CC[C@@H]1CN(c2ncc([N+](=O)[O-])cc2F)CCN1C[C@@H](C)O ZINC000574857979 422195039 /nfs/dbraw/zinc/19/50/39/422195039.db2.gz OSHACRCQLAQGLC-GHMZBOCLSA-N 1 0 312.345 1.410 20 5 DDBDRO C[C@H]1C[C@@H](Nc2ccc3ncc([N+](=O)[O-])n3n2)C[N@@H+]1C1CC1 ZINC000584383766 422299350 /nfs/dbraw/zinc/29/93/50/422299350.db2.gz PEOQRFYKDGKYIK-VHSXEESVSA-N 1 0 302.338 1.675 20 5 DDBDRO [NH3+]C1(CNC(=O)NCCOc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000575733281 422314647 /nfs/dbraw/zinc/31/46/47/422314647.db2.gz RHRRKZXHVONRMB-UHFFFAOYSA-N 1 0 308.338 1.154 20 5 DDBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)c1ccnc(NC)c1[N+](=O)[O-] ZINC000594299360 422344011 /nfs/dbraw/zinc/34/40/11/422344011.db2.gz LAMJASPNAPGESS-NSHDSACASA-N 1 0 321.381 1.636 20 5 DDBDRO CC[C@@H]([NH2+]C)C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000595923664 422359811 /nfs/dbraw/zinc/35/98/11/422359811.db2.gz AVVUGESRDFXIHY-LLVKDONJSA-N 1 0 303.322 1.921 20 5 DDBDRO C[C@@H]1COCC[C@H]1C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000576031464 422363859 /nfs/dbraw/zinc/36/38/59/422363859.db2.gz XHLMXBKTLHTLIA-IPYPFGDCSA-N 1 0 324.377 1.597 20 5 DDBDRO CN(C)C(=O)CC[NH+]1CCC(Nc2ccc([N+](=O)[O-])cn2)CC1 ZINC000344438404 272026541 /nfs/dbraw/zinc/02/65/41/272026541.db2.gz HRECOGMEHJLXTR-UHFFFAOYSA-N 1 0 321.381 1.344 20 5 DDBDRO Cc1nn(CC(=O)NC2CC[NH+](C(C)C)CC2)cc1[N+](=O)[O-] ZINC000344671575 272085474 /nfs/dbraw/zinc/08/54/74/272085474.db2.gz HKMWKPMJWHWWFV-UHFFFAOYSA-N 1 0 309.370 1.089 20 5 DDBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)COc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000345995704 272385430 /nfs/dbraw/zinc/38/54/30/272385430.db2.gz UKJCQTJZEKFKLP-CHWSQXEVSA-N 1 0 321.377 1.915 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000323802949 274004355 /nfs/dbraw/zinc/00/43/55/274004355.db2.gz GZXBTGRBYMLOCY-MRXNPFEDSA-N 1 0 319.361 1.913 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)N[C@@H]2CC[C@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000330580620 276041566 /nfs/dbraw/zinc/04/15/66/276041566.db2.gz IRCGZNFWPUHIGG-ZJUUUORDSA-N 1 0 309.370 1.654 20 5 DDBDRO C[NH2+][C@@H](C)Cc1noc(COc2ccc([N+](=O)[O-])c(OC)c2)n1 ZINC000261847749 277038916 /nfs/dbraw/zinc/03/89/16/277038916.db2.gz SOZHXUYBJYWUFL-VIFPVBQESA-N 1 0 322.321 1.716 20 5 DDBDRO C[N@@H+]1CCN(c2ncc([N+](=O)[O-])cn2)C[C@@H]1Cc1ccccc1 ZINC000286374312 277115125 /nfs/dbraw/zinc/11/51/25/277115125.db2.gz DGSYFXIGSBEANE-AWEZNQCLSA-N 1 0 313.361 1.748 20 5 DDBDRO C[N@@H+]1CC[C@@H]2OCCN(CCc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000332394030 277153390 /nfs/dbraw/zinc/15/33/90/277153390.db2.gz WGXIXJWZDAEUKU-HOTGVXAUSA-N 1 0 305.378 1.542 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CCC[C@H]([NH+](C)C)C2)c1 ZINC000302074394 277436937 /nfs/dbraw/zinc/43/69/37/277436937.db2.gz GHQUWLTYFVRKEN-LBPRGKRZSA-N 1 0 307.350 1.912 20 5 DDBDRO COC(=O)c1cnc(N2CCC[C@@H]([NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000277252651 277447158 /nfs/dbraw/zinc/44/71/58/277447158.db2.gz VWAIDPOIPNMPPL-GFCCVEGCSA-N 1 0 322.365 1.697 20 5 DDBDRO CS[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C[C@H]1[NH+]1CCCC1 ZINC000331665096 278165088 /nfs/dbraw/zinc/16/50/88/278165088.db2.gz YUWXFRLMEKMZGC-OLZOCXBDSA-N 1 0 324.406 1.575 20 5 DDBDRO CC[N@H+](C)CCN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272525900 279033239 /nfs/dbraw/zinc/03/32/39/279033239.db2.gz LXQJSOKPHORXSM-OAHLLOKOSA-N 1 0 317.393 1.959 20 5 DDBDRO C[C@@H]1[C@H](C)N(Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC[N@H+]1C ZINC000332238809 279104201 /nfs/dbraw/zinc/10/42/01/279104201.db2.gz UEXCPKNCNOOZAN-NEPJUHHUSA-N 1 0 321.377 1.986 20 5 DDBDRO Cc1nn(C)c(C(=O)NCCCCC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000293794084 279188313 /nfs/dbraw/zinc/18/83/13/279188313.db2.gz ARDYCEKENRPCTR-UHFFFAOYSA-N 1 0 323.397 1.633 20 5 DDBDRO C[NH2+][C@@H]1CCN(S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)C1 ZINC000122751447 281161039 /nfs/dbraw/zinc/16/10/39/281161039.db2.gz GJCDDQBQGSGJNK-LLVKDONJSA-N 1 0 313.379 1.194 20 5 DDBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@H]([NH3+])C1 ZINC000132678940 281463168 /nfs/dbraw/zinc/46/31/68/281463168.db2.gz JRYMFCHINVVMDW-SCZZXKLOSA-N 1 0 313.741 1.575 20 5 DDBDRO C[NH+](C)C[C@](C)(O)CNC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000152498947 281745614 /nfs/dbraw/zinc/74/56/14/281745614.db2.gz WCBCRDSLQQTCLR-MVGZEHJDSA-N 1 0 307.350 1.037 20 5 DDBDRO COc1c(C(=O)NC[C@H](C2CC2)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000354718657 298505868 /nfs/dbraw/zinc/50/58/68/298505868.db2.gz UQXQBDSUKNQZLG-CYBMUJFWSA-N 1 0 307.350 1.673 20 5 DDBDRO C[C@H]([NH3+])[C@@H]1CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000132306031 298981916 /nfs/dbraw/zinc/98/19/16/298981916.db2.gz CNHQHZXSZWEREE-DTWKUNHWSA-N 1 0 317.342 1.092 20 5 DDBDRO O=[N+]([O-])c1c[nH]c(-c2nc(CC3=[NH+][C@@H]4CCCC[C@H]4N3)no2)c1 ZINC000357932439 299024016 /nfs/dbraw/zinc/02/40/16/299024016.db2.gz IIAGGMPYICEATD-NXEZZACHSA-N 1 0 316.321 1.828 20 5 DDBDRO COc1ccc(CNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000362588270 300103009 /nfs/dbraw/zinc/10/30/09/300103009.db2.gz KHXCRGXFWCFQNU-ZYHUDNBSSA-N 1 0 307.350 1.417 20 5 DDBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)[C@@H]1C[C@@H]1[N+](=O)[O-] ZINC000363052875 300204490 /nfs/dbraw/zinc/20/44/90/300204490.db2.gz BFFUIIZGLKHCMK-BMFZPTHFSA-N 1 0 317.389 1.775 20 5 DDBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000363904172 300323793 /nfs/dbraw/zinc/32/37/93/300323793.db2.gz LBUQBWLFSCICAU-ZWNOBZJWSA-N 1 0 319.365 1.128 20 5 DDBDRO O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)[C@H]1C[C@H]1[N+](=O)[O-] ZINC000364395946 300389768 /nfs/dbraw/zinc/38/97/68/300389768.db2.gz CEVOVUOLUANJJF-FPMFFAJLSA-N 1 0 323.418 1.742 20 5 DDBDRO C[C@H]1[NH2+]CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])[C@H]1C ZINC000262813920 300578094 /nfs/dbraw/zinc/57/80/94/300578094.db2.gz YUXOUTFNGYVMES-BDAKNGLRSA-N 1 0 317.342 1.105 20 5 DDBDRO O=C(NC1CC[NH+](Cc2cccs2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000368804892 301090181 /nfs/dbraw/zinc/09/01/81/301090181.db2.gz JTJXZFHMJMFIFD-CHWSQXEVSA-N 1 0 309.391 1.494 20 5 DDBDRO Cc1c(C(=O)N[C@H]2CCC[NH2+]CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000369936458 301243722 /nfs/dbraw/zinc/24/37/22/301243722.db2.gz YVQPCEKTJVZVMR-JTQLQIEISA-N 1 0 322.321 1.683 20 5 DDBDRO C[C@@H]1C[C@H](NC(=O)[C@H]2C[C@H]2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000370469403 301345671 /nfs/dbraw/zinc/34/56/71/301345671.db2.gz CUEOTLHVBXFTEC-UQOMUDLDSA-N 1 0 303.362 1.431 20 5 DDBDRO CCc1ccc(C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)cc1[N+](=O)[O-] ZINC000373040497 301652275 /nfs/dbraw/zinc/65/22/75/301652275.db2.gz CEESTEJXZJGIRN-TZMCWYRMSA-N 1 0 303.362 1.981 20 5 DDBDRO CSC1(CNC(=O)c2ccc([N+](=O)[O-])o2)CC[NH+](C)CC1 ZINC000355448204 306801662 /nfs/dbraw/zinc/80/16/62/306801662.db2.gz UUKQMOGLSBMNFY-UHFFFAOYSA-N 1 0 313.379 1.745 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC[N@@H+]3CCC[C@@H]3C2)c2nonc21 ZINC000377481552 302183614 /nfs/dbraw/zinc/18/36/14/302183614.db2.gz MDOSRLPCIJVLIT-SNVBAGLBSA-N 1 0 303.322 1.806 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1CN1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000377767981 302228987 /nfs/dbraw/zinc/22/89/87/302228987.db2.gz PCICNHQPGBMJJI-QWHCGFSZSA-N 1 0 306.366 1.862 20 5 DDBDRO CSc1ccc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000518676234 302828809 /nfs/dbraw/zinc/82/88/09/302828809.db2.gz PPXJZBNXYZOXQB-ZDUSSCGKSA-N 1 0 322.390 1.664 20 5 DDBDRO COc1ccc(CC(=O)N[C@@H](C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000523659922 302899373 /nfs/dbraw/zinc/89/93/73/302899373.db2.gz WIALACZZKJHHES-NSHDSACASA-N 1 0 309.366 1.602 20 5 DDBDRO CCN(CCC[NH+]1CCCC1)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000530522300 303201822 /nfs/dbraw/zinc/20/18/22/303201822.db2.gz HCBBKXCTJQPMGW-UHFFFAOYSA-N 1 0 306.366 1.938 20 5 DDBDRO C[C@H]1C[N@@H+]([C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C[C@H]1C ZINC000531441816 303245401 /nfs/dbraw/zinc/24/54/01/303245401.db2.gz CWYXEIQKQVCLPK-WDMOLILDSA-N 1 0 317.345 1.815 20 5 DDBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000532142869 303276859 /nfs/dbraw/zinc/27/68/59/303276859.db2.gz FNNFUJCCBZUYPX-GFCCVEGCSA-N 1 0 306.366 1.794 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000532909337 303301671 /nfs/dbraw/zinc/30/16/71/303301671.db2.gz FJRGVMMFGFAROE-LLVKDONJSA-N 1 0 323.397 1.901 20 5 DDBDRO COc1cc(C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)cc([N+](=O)[O-])c1OC ZINC000563115487 303922752 /nfs/dbraw/zinc/92/27/52/303922752.db2.gz DXNWHIIIZUZJFT-SKDRFNHKSA-N 1 0 321.333 1.046 20 5 DDBDRO CO[C@@H]1CCN(CCOc2ccccc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000359045516 306949890 /nfs/dbraw/zinc/94/98/90/306949890.db2.gz QDZRECIICUCAPU-CHWSQXEVSA-N 1 0 309.366 1.412 20 5 DDBDRO C[C@H]1C[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@@H]1CO ZINC000362089712 307013773 /nfs/dbraw/zinc/01/37/73/307013773.db2.gz VLDCSMQGTXSQKD-CMPLNLGQSA-N 1 0 318.333 1.705 20 5 DDBDRO CNC(=O)CC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000362390316 307020516 /nfs/dbraw/zinc/02/05/16/307020516.db2.gz HJSBYVYCKINVIG-UHFFFAOYSA-N 1 0 307.350 1.574 20 5 DDBDRO CC1(C)C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CCCO1 ZINC000364916416 307053896 /nfs/dbraw/zinc/05/38/96/307053896.db2.gz NCGDXZIVMGYNQN-ZDUSSCGKSA-N 1 0 324.377 1.835 20 5 DDBDRO O=C1CC[C@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)[C@@H](C2CC2)N1 ZINC000367446256 307093854 /nfs/dbraw/zinc/09/38/54/307093854.db2.gz CPJNQAKSANIGRU-GOEBONIOSA-N 1 0 319.361 1.620 20 5 DDBDRO C=Cn1cc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)cn1 ZINC000369555922 307123910 /nfs/dbraw/zinc/12/39/10/307123910.db2.gz HVKDJCIEJSZMRQ-UHFFFAOYSA-N 1 0 302.338 1.925 20 5 DDBDRO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000371659985 307155576 /nfs/dbraw/zinc/15/55/76/307155576.db2.gz KIQXWXCHRLSYGX-REBRKWNGSA-N 1 0 318.377 1.073 20 5 DDBDRO O=C(NC1CC[NH+](Cc2ccsc2)CC1)[C@H]1C[C@@H]1[N+](=O)[O-] ZINC000371664640 307155702 /nfs/dbraw/zinc/15/57/02/307155702.db2.gz WJSVTCAFOVYNQP-STQMWFEESA-N 1 0 309.391 1.494 20 5 DDBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000376561812 307247729 /nfs/dbraw/zinc/24/77/29/307247729.db2.gz JVNMMLWPZZGIOK-BXUZGUMPSA-N 1 0 304.350 1.689 20 5 DDBDRO C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[C@@H]3[N+](=O)[O-])C[C@@H]2[C@@H]1c1ccccc1 ZINC000377824621 307276499 /nfs/dbraw/zinc/27/64/99/307276499.db2.gz UNSLJPGVCHRREJ-OWYFMNJBSA-N 1 0 315.373 1.413 20 5 DDBDRO CN1CC[NH2+]C[C@@H]1CNc1ccc2ncccc2c1[N+](=O)[O-] ZINC000394759278 307295680 /nfs/dbraw/zinc/29/56/80/307295680.db2.gz DBTLTQCDBNSQKF-LLVKDONJSA-N 1 0 301.350 1.459 20 5 DDBDRO Cc1noc([C@@H](C)N(C)CCn2cc([N+](=O)[O-])ccc2=O)n1 ZINC000564585992 308000183 /nfs/dbraw/zinc/00/01/83/308000183.db2.gz RWDIWJGHXZLVOT-SECBINFHSA-N 1 0 307.310 1.141 20 5 DDBDRO COc1ccc(CC(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000565417665 308030462 /nfs/dbraw/zinc/03/04/62/308030462.db2.gz IOYFINVYCDWAFU-WCQYABFASA-N 1 0 321.377 1.650 20 5 DDBDRO [NH3+]C1(CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CCCCC1 ZINC000566240406 308051269 /nfs/dbraw/zinc/05/12/69/308051269.db2.gz STTNWSJUPTUCKT-UHFFFAOYSA-N 1 0 321.333 1.715 20 5 DDBDRO O=C(NCC1CC[NH2+]CC1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000567715720 308092037 /nfs/dbraw/zinc/09/20/37/308092037.db2.gz VFEGRRQBYNWJCG-UHFFFAOYSA-N 1 0 318.377 1.662 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCCc2cccs2)c1 ZINC000574033677 308259234 /nfs/dbraw/zinc/25/92/34/308259234.db2.gz RMFPUOVBRNHOHN-GFCCVEGCSA-N 1 0 310.379 1.436 20 5 DDBDRO C[C@@H]([NH3+])C[C@H](C)NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000576942767 308351304 /nfs/dbraw/zinc/35/13/04/308351304.db2.gz JIEQYUYTGWGZOA-MNOVXSKESA-N 1 0 315.395 1.183 20 5 DDBDRO COCCC[N@H+](C)CCNC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000577437247 308387995 /nfs/dbraw/zinc/38/79/95/308387995.db2.gz NILBGSTYDIHPSV-CYBMUJFWSA-N 1 0 323.393 1.783 20 5 DDBDRO CCOc1ccc(NC(=O)CN(C)[C@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000578507956 308466851 /nfs/dbraw/zinc/46/68/51/308466851.db2.gz CPQODPKSJVOOHR-NSHDSACASA-N 1 0 322.365 1.226 20 5 DDBDRO Cc1ccc(CC[C@H](C)[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)o1 ZINC000578759715 308483345 /nfs/dbraw/zinc/48/33/45/308483345.db2.gz FYHSCTMINAHACZ-SMDDNHRTSA-N 1 0 322.365 1.665 20 5 DDBDRO O=C(CC[NH2+]CCn1cc([N+](=O)[O-])cn1)Nc1cccc(F)c1 ZINC000579228162 308516145 /nfs/dbraw/zinc/51/61/45/308516145.db2.gz BKNXIZXVFKWIFV-UHFFFAOYSA-N 1 0 321.312 1.549 20 5 DDBDRO COc1ccc(CC(=O)N[C@@](C)(C[NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000580063520 308576720 /nfs/dbraw/zinc/57/67/20/308576720.db2.gz HJJRYIDAIKMWHS-HNNXBMFYSA-N 1 0 309.366 1.636 20 5 DDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CCn2cccc2)cc1 ZINC000580553155 308613524 /nfs/dbraw/zinc/61/35/24/308613524.db2.gz TVTZZKVMYVPTSQ-UHFFFAOYSA-N 1 0 323.374 1.460 20 5 DDBDRO C[C@@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1)[C@H](C)[NH3+] ZINC000381420330 325741583 /nfs/dbraw/zinc/74/15/83/325741583.db2.gz AIODSEAQKAZPII-NKWVEPMBSA-N 1 0 316.155 1.823 20 5 DDBDRO C[C@@H](O)CCC[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000583500179 335623950 /nfs/dbraw/zinc/62/39/50/335623950.db2.gz PALIQCGATQRVJG-LLVKDONJSA-N 1 0 316.379 1.119 20 5 DDBDRO COc1cccc(C(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)c1[N+](=O)[O-] ZINC000582481112 337096503 /nfs/dbraw/zinc/09/65/03/337096503.db2.gz VGOGGWLDJYZOCN-LLVKDONJSA-N 1 0 305.334 1.570 20 5 DDBDRO O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000583749794 337329102 /nfs/dbraw/zinc/32/91/02/337329102.db2.gz LCLQSQGIOGDFLF-CYBMUJFWSA-N 1 0 320.349 1.300 20 5 DDBDRO CCCN(C(=O)c1nn(CC)cc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000584468614 337344720 /nfs/dbraw/zinc/34/47/20/337344720.db2.gz AXJWYFWBMUHDSW-UHFFFAOYSA-N 1 0 309.370 1.415 20 5 DDBDRO C[C@@H]1CCC[C@](CNC(=O)Cn2ccc([N+](=O)[O-])n2)([NH+](C)C)C1 ZINC000299271421 533898791 /nfs/dbraw/zinc/89/87/91/533898791.db2.gz JMJZIKCLXXNMLM-DOMZBBRYSA-N 1 0 323.397 1.418 20 5 DDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](O)COCC1CC1 ZINC000449115948 534254205 /nfs/dbraw/zinc/25/42/05/534254205.db2.gz JIJJHTVDPDBUBT-WFASDCNBSA-N 1 0 308.378 1.903 20 5 DDBDRO C[C@@H]1CN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)[C@@H](C)C[NH2+]1 ZINC000417232754 534313397 /nfs/dbraw/zinc/31/33/97/534313397.db2.gz MYEJLZCSGUBXTR-NEPJUHHUSA-N 1 0 306.366 1.529 20 5 DDBDRO NC(=O)NC(=O)CC[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451544310 534382531 /nfs/dbraw/zinc/38/25/31/534382531.db2.gz DSGSLGLXDQQQQS-LBPRGKRZSA-N 1 0 320.349 1.359 20 5 DDBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000417222085 534462853 /nfs/dbraw/zinc/46/28/53/534462853.db2.gz DZHMVWAUMSVUGJ-OCCSQVGLSA-N 1 0 304.350 1.141 20 5 DDBDRO [NH3+]C1CCN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC1 ZINC000430602833 534568218 /nfs/dbraw/zinc/56/82/18/534568218.db2.gz LZEYMIQRZBUTJF-UHFFFAOYSA-N 1 0 320.349 1.316 20 5 DDBDRO O=C(NC[C@@H]1CCC[NH2+]1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000422776626 534568720 /nfs/dbraw/zinc/56/87/20/534568720.db2.gz AQROOIUQRZVPFN-JTQLQIEISA-N 1 0 300.318 1.625 20 5 DDBDRO [NH3+][C@H]1CCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000417716333 534728078 /nfs/dbraw/zinc/72/80/78/534728078.db2.gz LLGCONTWYWQISN-ZDUSSCGKSA-N 1 0 306.366 1.660 20 5 DDBDRO CN(C(=O)Cc1ccc([N+](=O)[O-])cc1F)[C@H]1CCC[N@H+](C)C1 ZINC000156543246 523850599 /nfs/dbraw/zinc/85/05/99/523850599.db2.gz WOPCRDPINVSIQE-ZDUSSCGKSA-N 1 0 309.341 1.829 20 5 DDBDRO CC(C)(C(=O)NCCC[C@H]1CCC[NH2+]1)n1cc([N+](=O)[O-])cn1 ZINC000449682333 527518409 /nfs/dbraw/zinc/51/84/09/527518409.db2.gz NRIZNCYRPMQAIO-LLVKDONJSA-N 1 0 309.370 1.175 20 5 DDBDRO CCOC(=O)c1cc(C(=O)N[C@@H](C)[C@@H](C)[NH3+])cc([N+](=O)[O-])c1 ZINC000423675924 528150513 /nfs/dbraw/zinc/15/05/13/528150513.db2.gz IFGVGZWXIYLGCJ-BDAKNGLRSA-N 1 0 309.322 1.237 20 5 DDBDRO CCOc1ccc([C@@H](C)[NH2+][C@H]2CCCNC2=O)cc1[N+](=O)[O-] ZINC000296611902 528598721 /nfs/dbraw/zinc/59/87/21/528598721.db2.gz WIOAMTLGUVTKMR-PWSUYJOCSA-N 1 0 307.350 1.923 20 5 DDBDRO CCCC[C@H](C[NH3+])NC(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000417198632 528943932 /nfs/dbraw/zinc/94/39/32/528943932.db2.gz WKVIWWGESNLHJF-GFCCVEGCSA-N 1 0 324.381 1.920 20 5 DDBDRO CC(C)[N@@H+]1CC[C@@H](N(C)CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000452113997 529063685 /nfs/dbraw/zinc/06/36/85/529063685.db2.gz JGHZCYWSYVLCPB-CYBMUJFWSA-N 1 0 308.382 1.171 20 5 DDBDRO C[C@@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC[N@@H+]1C ZINC000820665056 599589506 /nfs/dbraw/zinc/58/95/06/599589506.db2.gz DLEOMGJHWNNZIY-RKDXNWHRSA-N 1 0 318.341 1.065 20 5 DDBDRO CCCC[C@H](C[NH3+])NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000125005723 696748134 /nfs/dbraw/zinc/74/81/34/696748134.db2.gz NSFMBXXDJKAUQC-SECBINFHSA-N 1 0 319.358 1.530 20 5 DDBDRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)C1)C(F)F ZINC000982959011 697195689 /nfs/dbraw/zinc/19/56/89/697195689.db2.gz SSCONPTZJWGPQG-XYPYZODXSA-N 1 0 313.304 1.844 20 5 DDBDRO CC1(C)CC(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC000983658448 697287001 /nfs/dbraw/zinc/28/70/01/697287001.db2.gz WIPCMUIAESXHOQ-FMKGYKFTSA-N 1 0 309.410 1.572 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000178866072 697429836 /nfs/dbraw/zinc/42/98/36/697429836.db2.gz PFNWZJSSJKLRCG-JTQLQIEISA-N 1 0 307.350 1.803 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCN3CCC3)CC2)cc1 ZINC000773090022 697712077 /nfs/dbraw/zinc/71/20/77/697712077.db2.gz ADIZYTOQZSXCOE-UHFFFAOYSA-N 1 0 304.394 1.859 20 5 DDBDRO CC1(C)CN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1CCO ZINC000781961621 698666443 /nfs/dbraw/zinc/66/64/43/698666443.db2.gz CREDUZISZOYTGM-OAHLLOKOSA-N 1 0 323.393 1.017 20 5 DDBDRO C[N@H+]1C[C@H]2CN(C(=S)Nc3ccc([N+](=O)[O-])cc3)C[C@H]2C1 ZINC000782401843 698721740 /nfs/dbraw/zinc/72/17/40/698721740.db2.gz PZUWXUAAUMCNQO-PHIMTYICSA-N 1 0 306.391 1.785 20 5 DDBDRO COC1CC[NH+](CCNC(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000787114753 699191401 /nfs/dbraw/zinc/19/14/01/699191401.db2.gz CUSKMVQYBNWZNK-UHFFFAOYSA-N 1 0 322.365 1.018 20 5 DDBDRO COC1CCN(CC[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000788624897 699328524 /nfs/dbraw/zinc/32/85/24/699328524.db2.gz HXVTYUXEAANBOE-LBPRGKRZSA-N 1 0 322.409 1.938 20 5 DDBDRO Cc1nn(C[N@@H+]2CCC[C@](C)(O)CC2)c2ncc([N+](=O)[O-])cc12 ZINC000794672390 699823186 /nfs/dbraw/zinc/82/31/86/699823186.db2.gz LXIGLNDTQPJGFQ-HNNXBMFYSA-N 1 0 319.365 1.842 20 5 DDBDRO COc1ccc(C(=O)NCC[N@@H+]2CCC[C@H]2C)cc1[N+](=O)[O-] ZINC000742242115 699869972 /nfs/dbraw/zinc/86/99/72/699869972.db2.gz YVJASPINEBNDMD-LLVKDONJSA-N 1 0 307.350 1.818 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H](C)[NH+]2CCCCC2)n1 ZINC000756814434 700642224 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CN(C)c1ccc(F)cc1C[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000865497014 706446819 /nfs/dbraw/zinc/44/68/19/706446819.db2.gz WFAQGCDLOGKEHQ-UHFFFAOYSA-N 1 0 307.329 1.786 20 5 DDBDRO O=[N+]([O-])c1cc(CO)c(NCC[NH+]2CCSCC2)cc1F ZINC000865536335 706458104 /nfs/dbraw/zinc/45/81/04/706458104.db2.gz WACYFUUROSINNS-UHFFFAOYSA-N 1 0 315.370 1.687 20 5 DDBDRO CCN(CCC[NH+](C)C)C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000830791135 706580278 /nfs/dbraw/zinc/58/02/78/706580278.db2.gz OUZSKJVRWRCVAI-AWEZNQCLSA-N 1 0 309.366 1.428 20 5 DDBDRO COCCN(CC1CC[NH+](C)CC1)c1ncc([N+](=O)[O-])cn1 ZINC000865996766 706588722 /nfs/dbraw/zinc/58/87/22/706588722.db2.gz OOVNUTFKJIWFRH-UHFFFAOYSA-N 1 0 309.370 1.179 20 5 DDBDRO C[C@@]1(C(F)(F)F)CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000880001594 706850191 /nfs/dbraw/zinc/85/01/91/706850191.db2.gz RCJQICRFJDBYKI-GHMZBOCLSA-N 1 0 322.287 1.427 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000871673730 707164592 /nfs/dbraw/zinc/16/45/92/707164592.db2.gz NINFNBLSFHKYDZ-CYBMUJFWSA-N 1 0 314.345 1.378 20 5 DDBDRO CC[C@H]1COCCN1CCNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000871760061 707190636 /nfs/dbraw/zinc/19/06/36/707190636.db2.gz DZNOICJLDGEFQA-ZDUSSCGKSA-N 1 0 322.365 1.827 20 5 DDBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H](O)c1ccnn1C ZINC000927125716 712944725 /nfs/dbraw/zinc/94/47/25/712944725.db2.gz FRHUSKGFQBRRMZ-BONVTDFDSA-N 1 0 322.340 1.722 20 5 DDBDRO C[C@@H]([NH2+][C@H]1CCc2nnn(C)c2C1)c1cccc([N+](=O)[O-])c1 ZINC000927147840 712947242 /nfs/dbraw/zinc/94/72/42/712947242.db2.gz RSTGYFXRQWSPFN-PWSUYJOCSA-N 1 0 301.350 1.931 20 5 DDBDRO CC1(C)CC[NH2+]CCN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000872290776 707367715 /nfs/dbraw/zinc/36/77/15/707367715.db2.gz CAWANCWBZLQVTP-UHFFFAOYSA-N 1 0 321.377 1.964 20 5 DDBDRO CC[C@H]1C[N@H+](CC)CCN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000836948429 707553024 /nfs/dbraw/zinc/55/30/24/707553024.db2.gz RFZWPUMJJBDNNX-NSHDSACASA-N 1 0 306.366 1.733 20 5 DDBDRO CC[N@@H+]1CC[C@@H]1CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000882961771 707875110 /nfs/dbraw/zinc/87/51/10/707875110.db2.gz XGWODFVGPYBEOF-LLVKDONJSA-N 1 0 304.350 1.986 20 5 DDBDRO COC[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCOC1 ZINC000883186845 707950838 /nfs/dbraw/zinc/95/08/38/707950838.db2.gz AJNPTKKHCMMOQD-BPUTZDHNSA-N 1 0 324.377 1.659 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CN(CC[NH3+])CC(F)(F)F ZINC000883444550 708003407 /nfs/dbraw/zinc/00/34/07/708003407.db2.gz ZUQVMRYSWTXSJB-UHFFFAOYSA-N 1 0 307.272 1.926 20 5 DDBDRO CC[N@@H+]1CC[C@H]1CNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000883539952 708023984 /nfs/dbraw/zinc/02/39/84/708023984.db2.gz ONCIZJKDBJECIP-AWEZNQCLSA-N 1 0 306.366 1.531 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CC[C@@H](O)C3CC3)CC2)cn1 ZINC000898199317 708571064 /nfs/dbraw/zinc/57/10/64/708571064.db2.gz LDLNQMYAZWBHSO-OAHLLOKOSA-N 1 0 320.393 1.709 20 5 DDBDRO O=C1CC[N@H+](Cc2cccnc2[N+](=O)[O-])CCCCCCN1 ZINC000886305429 708739182 /nfs/dbraw/zinc/73/91/82/708739182.db2.gz HFNBVYICCMBHOS-UHFFFAOYSA-N 1 0 306.366 1.872 20 5 DDBDRO Cc1cc(OCC(=O)N2CC([NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000898605343 708807848 /nfs/dbraw/zinc/80/78/48/708807848.db2.gz VDNFHTJFQIARLL-UHFFFAOYSA-N 1 0 319.361 1.589 20 5 DDBDRO C[NH+](C)[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cn2)C12CCC2 ZINC000898834768 708883743 /nfs/dbraw/zinc/88/37/43/708883743.db2.gz IIVQRUBOMMLUMA-OLZOCXBDSA-N 1 0 304.350 1.592 20 5 DDBDRO O=c1c2ccc([N+](=O)[O-])cc2ncn1C[C@H]1CCCC[NH2+]C1 ZINC000899623809 709129079 /nfs/dbraw/zinc/12/90/79/709129079.db2.gz JMOJPNJATKIWDI-NSHDSACASA-N 1 0 302.334 1.694 20 5 DDBDRO C[N@@H+]1C[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3F)C[C@]2(C)C1 ZINC000887926309 709166200 /nfs/dbraw/zinc/16/62/00/709166200.db2.gz DGYZEWSDECUMAS-BMIGLBTASA-N 1 0 307.325 1.758 20 5 DDBDRO COc1cccc(C(=O)N2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)c1[N+](=O)[O-] ZINC000887928109 709167834 /nfs/dbraw/zinc/16/78/34/709167834.db2.gz WKKBCOAZUWKYRQ-MEDUHNTESA-N 1 0 319.361 1.627 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000899937550 709243381 /nfs/dbraw/zinc/24/33/81/709243381.db2.gz PRDZIFXFLGIJKW-CYBMUJFWSA-N 1 0 319.361 1.871 20 5 DDBDRO CC1(C)CC[N@H+](CCNC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000890078538 709738338 /nfs/dbraw/zinc/73/83/38/709738338.db2.gz GWXCNNXIXFJCKZ-UHFFFAOYSA-N 1 0 309.370 1.030 20 5 DDBDRO C[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000913095972 713161899 /nfs/dbraw/zinc/16/18/99/713161899.db2.gz ACVRCHDLJXGUKT-LCGIIJARSA-N 1 0 317.389 1.678 20 5 DDBDRO C[NH+](C)C[C@@H](O)CNc1c2cc(Cl)ccc2ncc1[N+](=O)[O-] ZINC000891745758 710282456 /nfs/dbraw/zinc/28/24/56/710282456.db2.gz MLMIKOBTQSUZLV-JTQLQIEISA-N 1 0 324.768 1.553 20 5 DDBDRO Cc1ccc(CNC(=O)NCC23CC(C2)C[NH2+]3)cc1[N+](=O)[O-] ZINC000892261335 710405450 /nfs/dbraw/zinc/40/54/50/710405450.db2.gz LUQUJSGIIKSYIN-UHFFFAOYSA-N 1 0 304.350 1.454 20 5 DDBDRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000892418662 710434345 /nfs/dbraw/zinc/43/43/45/710434345.db2.gz RZWLIUXWTUALKB-JSGCOSHPSA-N 1 0 304.350 1.440 20 5 DDBDRO C[NH+]1C[C@]2(C)CN(C(=O)c3cc([N+](=O)[O-])ccc3N)C[C@@]2(C)C1 ZINC000913282132 713190655 /nfs/dbraw/zinc/19/06/55/713190655.db2.gz YOARWAVSWCEJSW-HZPDHXFCSA-N 1 0 318.377 1.591 20 5 DDBDRO C[C@H]1[C@H](NC(=O)CN(C)c2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000928435834 713194913 /nfs/dbraw/zinc/19/49/13/713194913.db2.gz DEAFQGRXNCMFBS-NWDGAFQWSA-N 1 0 306.366 1.240 20 5 DDBDRO C[C@@H]1[C@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC[N@@H+]1C ZINC000928453739 713204069 /nfs/dbraw/zinc/20/40/69/713204069.db2.gz PVXJLFAKZKTQIB-MWLCHTKSSA-N 1 0 321.333 1.188 20 5 DDBDRO Cn1ccnc1[C@H](N[C@H]1C[C@H](C[NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC000902484522 710768300 /nfs/dbraw/zinc/76/83/00/710768300.db2.gz FVQHJENOJQNLRI-UXIGCNINSA-N 1 0 315.377 1.745 20 5 DDBDRO COc1cc([C@H](C)[NH2+][C@@H]2CCC(=O)N(C)C2)cc([N+](=O)[O-])c1 ZINC000903098358 711031410 /nfs/dbraw/zinc/03/14/10/711031410.db2.gz NPAWHJAFXDKZKC-CMPLNLGQSA-N 1 0 307.350 1.875 20 5 DDBDRO CC[C@@H]([NH2+]C[C@@]1(CO)COCCN1C)c1cccc([N+](=O)[O-])c1 ZINC000903277674 711084633 /nfs/dbraw/zinc/08/46/33/711084633.db2.gz BVFPSFZSRCQAMQ-HZPDHXFCSA-N 1 0 323.393 1.329 20 5 DDBDRO Cn1cnc(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000903350358 711100761 /nfs/dbraw/zinc/10/07/61/711100761.db2.gz AZQZNXUDPDRTJD-CHWSQXEVSA-N 1 0 304.354 1.798 20 5 DDBDRO C[NH2+]CCN(CC(=O)Nc1cc([N+](=O)[O-])ccc1C)C(C)C ZINC000903570708 711201850 /nfs/dbraw/zinc/20/18/50/711201850.db2.gz YYIYOTKXRPBUDX-UHFFFAOYSA-N 1 0 308.382 1.772 20 5 DDBDRO O=[N+]([O-])c1cccc2c1CCN(C[C@H]1C[C@@]3(CC[NH2+]C3)CO1)C2 ZINC000903882374 711315040 /nfs/dbraw/zinc/31/50/40/711315040.db2.gz NCGKOILCVDQXEO-RHSMWYFYSA-N 1 0 317.389 1.722 20 5 DDBDRO C[C@@H]1C[NH2+]C[C@H]1NC1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000903964065 711349636 /nfs/dbraw/zinc/34/96/36/711349636.db2.gz KOKITNVVBLOIBK-MLGOLLRUSA-N 1 0 304.394 1.761 20 5 DDBDRO C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000913535211 713248342 /nfs/dbraw/zinc/24/83/42/713248342.db2.gz BUVPBRYHANBQQI-PHIMTYICSA-N 1 0 314.345 1.995 20 5 DDBDRO CCOc1cc(N2CC[C@@](O)(C[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000895008560 711364734 /nfs/dbraw/zinc/36/47/34/711364734.db2.gz ABQIVBQMUIRRLU-OAHLLOKOSA-N 1 0 309.366 1.496 20 5 DDBDRO O=C1N(CC[NH2+]Cc2cccc([N+](=O)[O-])c2)C[C@H]2CCCCN12 ZINC000895345174 711490654 /nfs/dbraw/zinc/49/06/54/711490654.db2.gz YBBSPVAKJAIKTM-OAHLLOKOSA-N 1 0 318.377 1.975 20 5 DDBDRO C[C@@H](C(=O)NC12CC[NH+](CC1)C2)c1ccc([N+](=O)[O-])cc1F ZINC000913632912 713273111 /nfs/dbraw/zinc/27/31/11/713273111.db2.gz DGGATKASOYVNCV-SNVBAGLBSA-N 1 0 307.325 1.802 20 5 DDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[NH2+]C[C@H]1COC ZINC000904485008 711862992 /nfs/dbraw/zinc/86/29/92/711862992.db2.gz IZVMSOZAMCPTAA-ZDUSSCGKSA-N 1 0 322.365 1.609 20 5 DDBDRO C[C@@H]1CN(c2ccc(C[NH2+]CC[N+](=O)[O-])cc2F)C[C@H](C)O1 ZINC000905055720 711922232 /nfs/dbraw/zinc/92/22/32/711922232.db2.gz REDWCJSUGZNOFT-TXEJJXNPSA-N 1 0 311.357 1.806 20 5 DDBDRO CC[C@@H]([NH2+]CC[N+](=O)[O-])[C@H]1CN(Cc2ccccc2)CCO1 ZINC000905170611 711958215 /nfs/dbraw/zinc/95/82/15/711958215.db2.gz RBHWBQFOHKUCEV-HZPDHXFCSA-N 1 0 307.394 1.532 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CCOC2CCOCC2)cc1 ZINC000905606139 712092588 /nfs/dbraw/zinc/09/25/88/712092588.db2.gz CWMNLUFJUGVVIP-OAHLLOKOSA-N 1 0 310.350 1.413 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]Cc2ccc(CCO)cc2)c1 ZINC000905696585 712122215 /nfs/dbraw/zinc/12/22/15/712122215.db2.gz PIBOIHFCSTXYOL-KRWDZBQOSA-N 1 0 316.357 1.953 20 5 DDBDRO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc([N+](=O)[O-])o1 ZINC000915625021 713425034 /nfs/dbraw/zinc/42/50/34/713425034.db2.gz GZIWRIBZOPOQBA-LBPRGKRZSA-N 1 0 323.349 1.561 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000918395945 713541445 /nfs/dbraw/zinc/54/14/45/713541445.db2.gz VXPQYEYIZQAUCL-LLVKDONJSA-N 1 0 322.321 1.635 20 5 DDBDRO O=C(CCc1cc(F)ccc1[N+](=O)[O-])NCC[NH+]1CCCC1 ZINC000929457780 713614721 /nfs/dbraw/zinc/61/47/21/713614721.db2.gz KAFQHELZJPSULJ-UHFFFAOYSA-N 1 0 309.341 1.879 20 5 DDBDRO COC(=O)COc1ccc(C[NH2+][C@H]2COC[C@@H]2C)cc1[N+](=O)[O-] ZINC000922641354 714108974 /nfs/dbraw/zinc/10/89/74/714108974.db2.gz GZJLPMVRJXEWND-JQWIXIFHSA-N 1 0 324.333 1.271 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000923264463 714289255 /nfs/dbraw/zinc/28/92/55/714289255.db2.gz QKCBZHTULDTZDI-QWHCGFSZSA-N 1 0 321.352 1.972 20 5 DDBDRO C[NH2+]C[C@@H]1CCCN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000923295236 714300406 /nfs/dbraw/zinc/30/04/06/714300406.db2.gz UBNVRLMHSJMXEB-QWHCGFSZSA-N 1 0 309.366 1.018 20 5 DDBDRO O=[N+]([O-])c1ccc(Cl)cc1CN1CCC[C@@H]([NH2+]CCO)C1 ZINC000923407696 714346088 /nfs/dbraw/zinc/34/60/88/714346088.db2.gz RJQBHGNDNQBPNK-CYBMUJFWSA-N 1 0 313.785 1.795 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)CN[C@H]2CC[NH2+]C23CCCC3)c1 ZINC000923428764 714353289 /nfs/dbraw/zinc/35/32/89/714353289.db2.gz QYNFWHRMOKHZJD-CABCVRRESA-N 1 0 305.378 1.893 20 5 DDBDRO O=[N+]([O-])c1ccc2oc(CN3C[C@@H]4CC[NH2+]C[C@@H]4C3)nc2c1 ZINC000923517980 714387097 /nfs/dbraw/zinc/38/70/97/714387097.db2.gz HZFJFNNEGXVZAF-WDEREUQCSA-N 1 0 302.334 1.777 20 5 DDBDRO C[N@@H+]1C[C@H](O)C[C@@H]1CNC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000924981045 714714442 /nfs/dbraw/zinc/71/44/42/714714442.db2.gz VICCXHNABMJEMI-RKDXNWHRSA-N 1 0 313.741 1.043 20 5 DDBDRO CN1CCN(Cc2ccc(F)cc2[N+](=O)[O-])CC[N@H+](C)CC1 ZINC000933992662 714716872 /nfs/dbraw/zinc/71/68/72/714716872.db2.gz IRXOHSKRFRNMJU-UHFFFAOYSA-N 1 0 310.373 1.413 20 5 DDBDRO C[N@@H+]1CC[C@H]1CNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000925419990 714850583 /nfs/dbraw/zinc/85/05/83/714850583.db2.gz RZXWSFVEHBZHNA-LBPRGKRZSA-N 1 0 304.350 1.367 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCNCC[NH2+]CC1 ZINC000926100350 715006216 /nfs/dbraw/zinc/00/62/16/715006216.db2.gz AFWJIAAXLFZLIA-UHFFFAOYSA-N 1 0 321.381 1.238 20 5 DDBDRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1ncc(F)cc1[N+](=O)[O-] ZINC001164932539 721853864 /nfs/dbraw/zinc/85/38/64/721853864.db2.gz YWSUYKXQWMYCHI-OLZOCXBDSA-N 1 0 323.372 1.344 20 5 DDBDRO COc1cc(C)nc(-n2ccnc2[C@@H]2CCC[NH2+]C2)c1[N+](=O)[O-] ZINC001167058165 732371296 /nfs/dbraw/zinc/37/12/96/732371296.db2.gz YUDDETPZWHGKCG-LLVKDONJSA-N 1 0 317.349 1.960 20 5 DDBDRO Cc1ccn(C)c1C(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001126261651 738780445 /nfs/dbraw/zinc/78/04/45/738780445.db2.gz QWTGCIOPVPAUGN-UHFFFAOYSA-N 1 0 316.361 1.761 20 5 DDBDRO CC1(C)C[NH2+]C[C@H]1c1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001212181666 744125546 /nfs/dbraw/zinc/12/55/46/744125546.db2.gz PPQIJPDNZAPSKE-QMMMGPOBSA-N 1 0 307.285 1.892 20 5 DDBDRO CC(C)C(=O)N[C@H]1CC[C@H]([NH2+]Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC001034592712 750595017 /nfs/dbraw/zinc/59/50/17/750595017.db2.gz CBIOYGJMEROSIN-HAQNSBGRSA-N 1 0 323.397 1.501 20 5 DDBDRO [NH3+]Cc1ccc2ncn(-c3cc([N+](=O)[O-])c4nncn4c3)c2c1 ZINC001168847938 762084034 /nfs/dbraw/zinc/08/40/34/762084034.db2.gz NVQOLQIVDANDSM-UHFFFAOYSA-N 1 0 309.289 1.435 20 5 DDBDRO CCOC(=O)C1(N[C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC[NH+](C)CC1 ZINC001168976713 762145982 /nfs/dbraw/zinc/14/59/82/762145982.db2.gz FRCFRBOOUCKHCE-OLZOCXBDSA-N 1 0 313.398 1.049 20 5 DDBDRO COC(=O)C[C@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccccn1 ZINC001168996533 762168671 /nfs/dbraw/zinc/16/86/71/762168671.db2.gz VOYNGRVKLICQBV-BZPMIXESSA-N 1 0 307.350 1.721 20 5 DDBDRO COCc1cccc([C@H](CO)[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001169004459 762174044 /nfs/dbraw/zinc/17/40/44/762174044.db2.gz QZVYKYQKPCUTNF-KCXAZCMYSA-N 1 0 308.378 1.901 20 5 DDBDRO CCOC[C@@H]1C[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)Cc2c1cnn2C ZINC001169019490 762199954 /nfs/dbraw/zinc/19/99/54/762199954.db2.gz ISKAINDYZWOEGU-MELADBBJSA-N 1 0 322.409 1.801 20 5 DDBDRO O=C(c1ccncc1)N1CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169047000 762204634 /nfs/dbraw/zinc/20/46/34/762204634.db2.gz PKCZCCZQHOGNPX-ZFWWWQNUSA-N 1 0 318.377 1.285 20 5 DDBDRO COc1cc(N2CC[NH+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)ccn1 ZINC001169052517 762208150 /nfs/dbraw/zinc/20/81/50/762208150.db2.gz GWERHMZDROXNGH-KBPBESRZSA-N 1 0 320.393 1.658 20 5 DDBDRO COc1ccnc(NCc2ncn3c2C[NH2+]CCC3)c1[N+](=O)[O-] ZINC001169236287 762301589 /nfs/dbraw/zinc/30/15/89/762301589.db2.gz AALCDUPYAZZKBO-UHFFFAOYSA-N 1 0 318.337 1.300 20 5 DDBDRO CCC[N@H+](C)CC(=O)N[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC001097203471 756970891 /nfs/dbraw/zinc/97/08/91/756970891.db2.gz LPVBEKKKFYVWQE-TXEJJXNPSA-N 1 0 321.381 1.391 20 5 DDBDRO COc1cc2ncnc(N(C)C[C@@H]3CC[NH2+]C3)c2cc1[N+](=O)[O-] ZINC001166955978 757798894 /nfs/dbraw/zinc/79/88/94/757798894.db2.gz OTRAMJORHXCYHS-SNVBAGLBSA-N 1 0 317.349 1.592 20 5 DDBDRO [NH3+]CCc1cn(-c2ncnc(Cl)c2[N+](=O)[O-])c2cccnc12 ZINC001169699947 762609611 /nfs/dbraw/zinc/60/96/11/762609611.db2.gz DMEADWUGBOVJGL-UHFFFAOYSA-N 1 0 318.724 1.878 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])ncc1NCC12CC[NH+](CC1)CC2 ZINC001169801789 762667810 /nfs/dbraw/zinc/66/78/10/762667810.db2.gz IHGBHZZCTOQPHN-UHFFFAOYSA-N 1 0 320.349 1.674 20 5 DDBDRO CCc1cccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c1 ZINC001020138810 760613000 /nfs/dbraw/zinc/61/30/00/760613000.db2.gz BKXSLBWOTFKFFI-KLHDSHLOSA-N 1 0 317.389 1.651 20 5 DDBDRO O=C(CCC(F)F)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001131394142 768111468 /nfs/dbraw/zinc/11/14/68/768111468.db2.gz IQCJZUOBNODJCZ-UHFFFAOYSA-N 1 0 301.293 1.846 20 5 DDBDRO CN(C)c1ccc(-n2nnc3ccc(C[NH3+])cc32)c([N+](=O)[O-])c1 ZINC001170024641 764115512 /nfs/dbraw/zinc/11/55/12/764115512.db2.gz YPOJNFUPJPAFDS-UHFFFAOYSA-N 1 0 312.333 1.853 20 5 DDBDRO C[C@H](Nc1ccc([N+](=O)[O-])c2c1CCN(C)C2)[C@@H]1C[NH2+]CCO1 ZINC001170577369 768264409 /nfs/dbraw/zinc/26/44/09/768264409.db2.gz ZFFNTXJYUKMEBX-ZBEGNZNMSA-N 1 0 320.393 1.372 20 5 DDBDRO COc1ccc(C[C@H](C)[NH2+]CCC2OCCO2)c([N+](=O)[O-])c1 ZINC001170305670 766231106 /nfs/dbraw/zinc/23/11/06/766231106.db2.gz PDKDXUWMOPVZDL-NSHDSACASA-N 1 0 310.350 1.887 20 5 DDBDRO COc1ccc(C[C@@H](C)[NH2+][C@@H]2CCN(C)C2=O)c([N+](=O)[O-])c1 ZINC001170309244 766259522 /nfs/dbraw/zinc/25/95/22/766259522.db2.gz PRITZRMRJBUJGE-ZWNOBZJWSA-N 1 0 307.350 1.355 20 5 DDBDRO CCOc1cc(NCCOCCOCC[NH3+])ccc1[N+](=O)[O-] ZINC001170513123 767722197 /nfs/dbraw/zinc/72/21/97/767722197.db2.gz UJFHODCWACWZJE-UHFFFAOYSA-N 1 0 313.354 1.397 20 5 DDBDRO O=[N+]([O-])c1cc(N[C@H]2C[NH2+]C[C@H]2CO)ccc1OC(F)(F)F ZINC001170781367 771250538 /nfs/dbraw/zinc/25/05/38/771250538.db2.gz QWZUXOBUQCWXAF-CBAPKCEASA-N 1 0 321.255 1.486 20 5 DDBDRO Cc1nc(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])c(C)o1 ZINC001135671971 771649153 /nfs/dbraw/zinc/64/91/53/771649153.db2.gz AMJOKWRUFHEWFX-UHFFFAOYSA-N 1 0 318.333 1.719 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N(CC[NH+](C)C)CC(C)C)n1 ZINC001136693110 772092877 /nfs/dbraw/zinc/09/28/77/772092877.db2.gz UQTVKPHKPOOVOV-UHFFFAOYSA-N 1 0 308.382 1.958 20 5 DDBDRO COc1nc(N[C@@H]2CC[NH2+]C[C@H]2C(F)(F)F)ncc1[N+](=O)[O-] ZINC001160733448 772651634 /nfs/dbraw/zinc/65/16/34/772651634.db2.gz WFFFYBILNQCOQS-RNFRBKRXSA-N 1 0 321.259 1.346 20 5 DDBDRO CN(CCNC(=O)C1(C[NH+](C)C)CC1)c1ccccc1[N+](=O)[O-] ZINC001100289090 775945123 /nfs/dbraw/zinc/94/51/23/775945123.db2.gz VVEATIGCIYDPPC-UHFFFAOYSA-N 1 0 320.393 1.489 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@@H]2COC(=O)C2)c1F ZINC001173188915 777036601 /nfs/dbraw/zinc/03/66/01/777036601.db2.gz MFNQWCGBCPMUBP-IUCAKERBSA-N 1 0 312.297 1.579 20 5 DDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC(=O)NCC(F)(F)F ZINC001173218419 777049707 /nfs/dbraw/zinc/04/97/07/777049707.db2.gz ATGYSQOPVXSLKS-SECBINFHSA-N 1 0 319.283 1.794 20 5 DDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H]2CNC(=O)[C@H]2C1 ZINC001173233654 777063516 /nfs/dbraw/zinc/06/35/16/777063516.db2.gz LOPBLJNHFZVCOA-WHOFXGATSA-N 1 0 303.362 1.594 20 5 DDBDRO CC[N@H+](C)[C@@H]1CCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001177044220 778406472 /nfs/dbraw/zinc/40/64/72/778406472.db2.gz PYRMDUIGBRRLBD-IUODEOHRSA-N 1 0 320.393 1.948 20 5 DDBDRO Cc1c(C(=O)NC[C@H]2C[NH+]3CCC2CC3)cccc1[N+](=O)[O-] ZINC001179896311 779521994 /nfs/dbraw/zinc/52/19/94/779521994.db2.gz XOVDZVBIPKTXDN-ZDUSSCGKSA-N 1 0 303.362 1.975 20 5 DDBDRO Nc1nccc(C(=O)N2CCC([NH2+]C3CCC3)CC2)c1[N+](=O)[O-] ZINC001180094706 779603544 /nfs/dbraw/zinc/60/35/44/779603544.db2.gz JBNIZOQOOHGBAR-UHFFFAOYSA-N 1 0 319.365 1.319 20 5 DDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC001118163345 781048724 /nfs/dbraw/zinc/04/87/24/781048724.db2.gz YFWRHVPGPQGRBQ-LLVKDONJSA-N 1 0 314.292 1.364 20 5 DDBDRO C[NH+](C)CCONC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC001118704472 781216066 /nfs/dbraw/zinc/21/60/66/781216066.db2.gz CZZUOFQBBQIFQQ-UHFFFAOYSA-N 1 0 319.321 1.004 20 5 DDBDRO COc1ccc(CC[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)cn1 ZINC001119304245 781399252 /nfs/dbraw/zinc/39/92/52/781399252.db2.gz QLKNQKVBHRBVIF-UHFFFAOYSA-N 1 0 317.349 1.731 20 5 DDBDRO Cc1nc(NC[C@H]2CC[N@@H+]2C2CCOCC2)ncc1[N+](=O)[O-] ZINC001120064186 781745089 /nfs/dbraw/zinc/74/50/89/781745089.db2.gz CQTAFMAIWZMSNU-GFCCVEGCSA-N 1 0 307.354 1.358 20 5 DDBDRO CN(CCNC(=O)[C@H]1[C@@H]2COC[C@@H]21)Cc1ccccc1[N+](=O)[O-] ZINC001266311999 836101264 /nfs/dbraw/zinc/10/12/64/836101264.db2.gz OSPPFUOJKWLORK-NHAGDIPZSA-N 1 0 319.361 1.035 20 5 DDBDRO C[C@@H](C[N+](C)(C)C)Oc1nnc2ccc(Br)cn21 ZINC001227156570 843365011 /nfs/dbraw/zinc/36/50/11/843365011.db2.gz RHRUVBLYUUTDFA-VIFPVBQESA-N 1 0 314.207 1.965 20 5 DDBDRO CCc1nc[nH]c1C(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001149448173 861622103 /nfs/dbraw/zinc/62/21/03/861622103.db2.gz QQRWIDGNIMCBEY-UHFFFAOYSA-N 1 0 317.349 1.400 20 5 DDBDRO COc1nc(C)c([N+](=O)[O-])c(NC[C@@H]2CCC[NH2+]C[C@H]2C)n1 ZINC001155026015 861657080 /nfs/dbraw/zinc/65/70/80/861657080.db2.gz RMUDOASUTPKFPH-KOLCDFICSA-N 1 0 309.370 1.749 20 5 DDBDRO Nc1cc(NC[C@@H]2CCC3(CC[NH2+]CC3)CO2)ncc1[N+](=O)[O-] ZINC001155384124 862022440 /nfs/dbraw/zinc/02/24/40/862022440.db2.gz QHPQCCDGMVNOEQ-NSHDSACASA-N 1 0 321.381 1.533 20 5 DDBDRO Cc1cc(Cl)c([N+](=O)[O-])c(NC[C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)n1 ZINC001155482817 862143340 /nfs/dbraw/zinc/14/33/40/862143340.db2.gz GBWBQCKKCIRSKW-FXPVBKGRSA-N 1 0 312.757 1.598 20 5 DDBDRO O=[N+]([O-])c1cccc2nc(N[C@H]3C[NH2+][C@@H]4CCO[C@@H]43)ccc21 ZINC001155636743 862320075 /nfs/dbraw/zinc/32/00/75/862320075.db2.gz NOVBCFKXVYWYKC-XUJVJEKNSA-N 1 0 300.318 1.684 20 5 DDBDRO Cc1cc(Cl)nc(N(c2ncccn2)C2C[NH2+]C2)c1[N+](=O)[O-] ZINC001155869870 862524615 /nfs/dbraw/zinc/52/46/15/862524615.db2.gz MZVVJORROYJKEI-UHFFFAOYSA-N 1 0 320.740 1.852 20 5 DDBDRO COc1cc2ncnc(N(C)C3CC[NH2+]CC3)c2cc1[N+](=O)[O-] ZINC001156175391 862777695 /nfs/dbraw/zinc/77/76/95/862777695.db2.gz FWJANJLJZATCSO-UHFFFAOYSA-N 1 0 317.349 1.735 20 5 DDBDRO O=[N+]([O-])c1cnc(NCCCc2ccncc2)nc1C1C[NH2+]C1 ZINC001156414579 863023362 /nfs/dbraw/zinc/02/33/62/863023362.db2.gz BYKODHJPJBTFEA-UHFFFAOYSA-N 1 0 314.349 1.511 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC001122244905 858724208 /nfs/dbraw/zinc/72/42/08/858724208.db2.gz APFWKUYZNCXYRE-GFCCVEGCSA-N 1 0 307.350 1.803 20 5 DDBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1C[NH2+]CC12CC2 ZINC001122497097 858852956 /nfs/dbraw/zinc/85/29/56/858852956.db2.gz ATYONCIXKQHXAV-ZWNOBZJWSA-N 1 0 321.402 1.944 20 5 DDBDRO C[C@@H](COC(=O)/C=C/c1ccc(OCC[NH+](C)C)cc1)[N+](=O)[O-] ZINC001122950230 859022388 /nfs/dbraw/zinc/02/23/88/859022388.db2.gz HEIYMZPVBRZGSY-PPGNKHEKSA-N 1 0 322.361 1.849 20 5 DDBDRO Cc1cnn(CC(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001124282435 859666787 /nfs/dbraw/zinc/66/67/87/859666787.db2.gz VQFQMIGYRUHODN-UHFFFAOYSA-N 1 0 317.349 1.006 20 5 DDBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N2C[C@@H]3CCC[N@@H+](C)[C@@H]3C2)n1 ZINC001157260243 863687673 /nfs/dbraw/zinc/68/76/73/863687673.db2.gz INIQPVVXJDNMCV-VHSXEESVSA-N 1 0 311.773 1.877 20 5 DDBDRO COC(=O)c1ccnc(N2C[C@@H]3CCC[N@H+](C)[C@@H]3C2)c1[N+](=O)[O-] ZINC001157265910 863695269 /nfs/dbraw/zinc/69/52/69/863695269.db2.gz LIBVLZJHMNBHNH-CMPLNLGQSA-N 1 0 320.349 1.307 20 5 DDBDRO CCOC(=O)c1ccnc(N[C@H]2C[NH2+]CC[C@H]2F)c1[N+](=O)[O-] ZINC001157451849 863829539 /nfs/dbraw/zinc/82/95/39/863829539.db2.gz QHHLGNLROOMHSV-ZJUUUORDSA-N 1 0 312.301 1.278 20 5 DDBDRO CCC[N@H+]1C[C@H]2CN(c3nc(Cl)ncc3[N+](=O)[O-])C[C@H]2C1 ZINC001157688073 864044814 /nfs/dbraw/zinc/04/48/14/864044814.db2.gz FIQMUPCDVJMYFD-AOOOYVTPSA-N 1 0 311.773 1.816 20 5 DDBDRO [NH3+][C@@H]1CCc2nn(-c3cnc4ccc([N+](=O)[O-])cc4n3)cc2C1 ZINC001157980321 864327325 /nfs/dbraw/zinc/32/73/25/864327325.db2.gz RMNFVYAXHPJQAL-SNVBAGLBSA-N 1 0 310.317 1.540 20 5 DDBDRO CC[N@@H+]1CCN(c2cc([N+](=O)[O-])cc(Cl)[n+]2[O-])C(C)(C)C1 ZINC001158561708 864729200 /nfs/dbraw/zinc/72/92/00/864729200.db2.gz MGZMVMDMUHKMTE-UHFFFAOYSA-N 1 0 314.773 1.802 20 5 DDBDRO COc1cc(N2CCCc3ccc(C[NH3+])nc32)ncc1[N+](=O)[O-] ZINC001158650237 864787038 /nfs/dbraw/zinc/78/70/38/864787038.db2.gz YPNOIPOXKCUNGG-UHFFFAOYSA-N 1 0 315.333 1.936 20 5 DDBDRO COC(=O)c1ccnc(NCC23CC[NH+](CC2)CC3)c1[N+](=O)[O-] ZINC001158827395 864923991 /nfs/dbraw/zinc/92/39/91/864923991.db2.gz QVMCEDDWQGWUBW-UHFFFAOYSA-N 1 0 320.349 1.674 20 5 DDBDRO C[NH+]1CC(CNC(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)C1 ZINC001159216116 865170438 /nfs/dbraw/zinc/17/04/38/865170438.db2.gz CYDXCXWGYRXITK-UHFFFAOYSA-N 1 0 306.700 1.844 20 5 DDBDRO CN(CC[NH3+])CCNc1ccc(-c2ccccc2[N+](=O)[O-])nn1 ZINC001159443382 865298599 /nfs/dbraw/zinc/29/85/99/865298599.db2.gz RGPNKXXADVCWOC-UHFFFAOYSA-N 1 0 316.365 1.354 20 5 DDBDRO CC[C@]([NH3+])(CO)Nc1ccc(-c2ccc(C)c([N+](=O)[O-])c2)nn1 ZINC001159744331 865497116 /nfs/dbraw/zinc/49/71/16/865497116.db2.gz PRXIAYWKUSGSJY-OAHLLOKOSA-N 1 0 317.349 1.829 20 5 DDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001332151781 865615927 /nfs/dbraw/zinc/61/59/27/865615927.db2.gz FEKCYDMZSMHZOO-INIZCTEOSA-N 1 0 318.377 1.852 20 5 DDBDRO CCCCC[N@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001160106925 865679214 /nfs/dbraw/zinc/67/92/14/865679214.db2.gz HEENLHRTNUQFQZ-HUUCEWRRSA-N 1 0 309.410 1.980 20 5 DDBDRO [NH3+][C@H]1CC[C@H](N=c2cnccn2-c2cccc([N+](=O)[O-])n2)CC1 ZINC001161294855 866499448 /nfs/dbraw/zinc/49/94/48/866499448.db2.gz YGPCOYIALNKDDG-HAQNSBGRSA-N 1 0 314.349 1.346 20 5 DDBDRO CC[C@@H](Nc1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1)C(F)(F)F ZINC001161383133 866609600 /nfs/dbraw/zinc/60/96/00/866609600.db2.gz ZVIPWYDCDXQQDQ-MRVPVSSYSA-N 1 0 305.260 1.824 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)CCc3cc(F)ccc3[N+](=O)[O-])C[C@@H]21 ZINC001333507090 866798182 /nfs/dbraw/zinc/79/81/82/866798182.db2.gz GCJXFOZELQTWHT-DOMZBBRYSA-N 1 0 321.352 1.829 20 5 DDBDRO COC(=O)c1ccc(C[NH3+])n1-c1cc([N+](=O)[O-])cc(Cl)n1 ZINC001161935031 867112440 /nfs/dbraw/zinc/11/24/40/867112440.db2.gz MBFGRQWWTGRTOK-UHFFFAOYSA-N 1 0 310.697 1.679 20 5 DDBDRO COc1c(F)cc(N[C@@H](C)CN2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC001162097190 867248562 /nfs/dbraw/zinc/24/85/62/867248562.db2.gz JVEQUATTYWJXNI-JTQLQIEISA-N 1 0 312.345 1.448 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])cc1N[C@@H](C)CN1CC[NH2+]CC1 ZINC001162096961 867249702 /nfs/dbraw/zinc/24/97/02/867249702.db2.gz FEDAZCBHKBSRBU-NSHDSACASA-N 1 0 322.365 1.087 20 5 DDBDRO COC(=O)c1cnc(N[C@@]2(C)CCC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC001162341843 867477268 /nfs/dbraw/zinc/47/72/68/867477268.db2.gz PGFAJDHGCMHYOP-AWEZNQCLSA-N 1 0 308.338 1.673 20 5 DDBDRO Nc1cc([N+](=O)[O-])cnc1-n1cncc1-c1cccc(C[NH3+])c1 ZINC001162564994 867644667 /nfs/dbraw/zinc/64/46/67/867644667.db2.gz NKDRCLXZSXCXIZ-UHFFFAOYSA-N 1 0 310.317 1.883 20 5 DDBDRO CCOCC(=O)NC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001225911700 882106332 /nfs/dbraw/zinc/10/63/32/882106332.db2.gz XVVNBTMTRQCBJY-UHFFFAOYSA-N 1 0 321.377 1.712 20 5 DDBDRO COC(=O)[C@@H](Nc1ncc(C(C)(C)C)cc1[N+](=O)[O-])C(C)(C)[NH3+] ZINC001162942057 867928308 /nfs/dbraw/zinc/92/83/08/867928308.db2.gz IHFJEJZWQASIKI-LLVKDONJSA-N 1 0 324.381 1.978 20 5 DDBDRO C[NH2+][C@@H](C)CCNC(=O)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC001325318534 867940554 /nfs/dbraw/zinc/94/05/54/867940554.db2.gz JCDSXALOZSQUGN-JTQLQIEISA-N 1 0 322.365 1.264 20 5 DDBDRO O=[N+]([O-])c1ccc(Cl)c(NCc2nnn3c2C[NH2+]CCC3)c1 ZINC001162971562 867958410 /nfs/dbraw/zinc/95/84/10/867958410.db2.gz KBSSLGABFZLODF-UHFFFAOYSA-N 1 0 322.756 1.945 20 5 DDBDRO CN1Cc2cc(N[C@@H]3COCCC34C[NH2+]C4)cc([N+](=O)[O-])c2N1 ZINC001163081430 868067134 /nfs/dbraw/zinc/06/71/34/868067134.db2.gz LOJYNDSQVMAIPP-CYBMUJFWSA-N 1 0 319.365 1.158 20 5 DDBDRO COc1nc(C)c(NCC[C@H]2CCOC23C[NH2+]C3)cc1[N+](=O)[O-] ZINC001163094083 868085530 /nfs/dbraw/zinc/08/55/30/868085530.db2.gz FZIZHZCSJQCWMW-NSHDSACASA-N 1 0 322.365 1.487 20 5 DDBDRO NC1=CC=C(C2CCN(c3ncc([N+](=O)[O-])cc3F)CC2)[NH2+]C1 ZINC001163130772 868138803 /nfs/dbraw/zinc/13/88/03/868138803.db2.gz FGYSUDPSRDLYPN-UHFFFAOYSA-N 1 0 319.340 1.675 20 5 DDBDRO O=[N+]([O-])c1cc[n+]([O-])c(N[C@H]2C[NH2+]Cc3ccsc32)c1F ZINC001163221821 868227787 /nfs/dbraw/zinc/22/77/87/868227787.db2.gz YZBCZCPODNTUJC-QMMMGPOBSA-N 1 0 310.310 1.685 20 5 DDBDRO CC(C)(C)c1cnc(N[C@]23CC[NH2+][C@H]2CC(=O)N3)c([N+](=O)[O-])c1 ZINC001163234725 868237986 /nfs/dbraw/zinc/23/79/86/868237986.db2.gz BMKFITFDDJVYRH-XHDPSFHLSA-N 1 0 319.365 1.277 20 5 DDBDRO Cc1cnc(NC[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)cc1[N+](=O)[O-] ZINC001163283304 868306299 /nfs/dbraw/zinc/30/62/99/868306299.db2.gz FOCBHTANJWGFKR-SWLSCSKDSA-N 1 0 306.366 1.869 20 5 DDBDRO C[C@@H](C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)N1CCCCC1=O ZINC001335447670 868307302 /nfs/dbraw/zinc/30/73/02/868307302.db2.gz IGJUGYHYXCOHEC-SWLSCSKDSA-N 1 0 321.377 1.619 20 5 DDBDRO O=[N+]([O-])c1ccnc(Cl)c1N[C@@H]1CCO[C@]2(CC[NH2+]C2)C1 ZINC001163308150 868334060 /nfs/dbraw/zinc/33/40/60/868334060.db2.gz BCHXODMSLFLBCM-NOZJJQNGSA-N 1 0 312.757 1.966 20 5 DDBDRO O=[N+]([O-])c1cnc2cccc(N[C@H]3CCO[C@@]4(CC[NH2+]C4)C3)n21 ZINC001163333361 868363948 /nfs/dbraw/zinc/36/39/48/868363948.db2.gz RCXHHYGSIMFATC-NHYWBVRUSA-N 1 0 317.349 1.566 20 5 DDBDRO CCOC(=O)c1cccc([N+](=O)[O-])c1-n1nc(C[NH3+])cc1C ZINC001163985410 868846369 /nfs/dbraw/zinc/84/63/69/868846369.db2.gz PJGCDNLKGUDTHQ-UHFFFAOYSA-N 1 0 304.306 1.724 20 5 DDBDRO O=[N+]([O-])c1cnccc1N1CC[NH2+][C@@H](c2ccc(O)cc2)C1 ZINC001164036090 868905734 /nfs/dbraw/zinc/90/57/34/868905734.db2.gz AVFVSOPAEFXSNU-CYBMUJFWSA-N 1 0 300.318 1.846 20 5 DDBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@@H](C)CC[C@@H]1C[NH3+] ZINC001164074320 868926731 /nfs/dbraw/zinc/92/67/31/868926731.db2.gz RZQFLTJDSNWFJC-WDEREUQCSA-N 1 0 322.365 1.730 20 5 DDBDRO COC(=O)Cc1ccc(N(CCC[NH3+])C(C)C)cc1[N+](=O)[O-] ZINC001164126992 868958847 /nfs/dbraw/zinc/95/88/47/868958847.db2.gz MXODSEYKMYDXKN-UHFFFAOYSA-N 1 0 309.366 1.874 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCCNC(=O)C(C)(C)C1CC1 ZINC001164366300 869155943 /nfs/dbraw/zinc/15/59/43/869155943.db2.gz LXMOEKLXDMAIAE-UHFFFAOYSA-N 1 0 323.397 1.360 20 5 DDBDRO Cc1ncc([N+](=O)[O-])c(N2CCC(C)([NH+]3CCOCC3)CC2)n1 ZINC001165135585 869402409 /nfs/dbraw/zinc/40/24/09/869402409.db2.gz XLSBQPQVUSCTSI-UHFFFAOYSA-N 1 0 321.381 1.384 20 5 DDBDRO CO[C@H]1CN(C(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)C[C@@H]1[NH3+] ZINC001165204751 869429441 /nfs/dbraw/zinc/42/94/41/869429441.db2.gz UKXJYFFENIBPBK-CBAPKCEASA-N 1 0 322.699 1.350 20 5 DDBDRO O=[N+]([O-])c1cc[n+]([O-])c(N2CCCC[C@H]2C2CC[NH2+]CC2)c1 ZINC001165320724 869517030 /nfs/dbraw/zinc/51/70/30/869517030.db2.gz SDPJUASONXPWFC-AWEZNQCLSA-N 1 0 306.366 1.587 20 5 DDBDRO O=[N+]([O-])c1cc(N2CCC(C3C[NH2+]C3)CC2)nc2[nH]ccc21 ZINC001165410139 869576971 /nfs/dbraw/zinc/57/69/71/869576971.db2.gz XFDKATQQUVGPMM-UHFFFAOYSA-N 1 0 301.350 1.907 20 5 DDBDRO COc1cc(C)nc(N2C[C@@H](CF)[C@H](C3([NH3+])CC3)C2)c1[N+](=O)[O-] ZINC001165431331 869594786 /nfs/dbraw/zinc/59/47/86/869594786.db2.gz POMMKDKRKKLHDU-GHMZBOCLSA-N 1 0 324.356 1.820 20 5 DDBDRO COC(=O)[C@H]1C[NH2+]CCN1c1ncc([N+](=O)[O-])c2ccccc21 ZINC001165439609 869602799 /nfs/dbraw/zinc/60/27/99/869602799.db2.gz RUBMNUYZLFIHIL-CYBMUJFWSA-N 1 0 316.317 1.094 20 5 DDBDRO C[NH+](C)[C@@H]1C[C@@H](NC[C@@H](O)c2cccc([N+](=O)[O-])c2)C1(C)C ZINC001338553536 870043601 /nfs/dbraw/zinc/04/36/01/870043601.db2.gz XUEVENUQZRSYCN-RBSFLKMASA-N 1 0 307.394 1.947 20 5 DDBDRO COC[C@H]1C[NH2+]CCN1C(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001338666442 870105530 /nfs/dbraw/zinc/10/55/30/870105530.db2.gz NVUIGYFUAOSODT-VXGBXAGGSA-N 1 0 322.365 1.286 20 5 DDBDRO N=c1nc([C@H]2CCC[NH2+]2)ccn1-c1ncc(Cl)cc1[N+](=O)[O-] ZINC001166702049 870171761 /nfs/dbraw/zinc/17/17/61/870171761.db2.gz YOUYGZCHMWZZIV-SECBINFHSA-N 1 0 320.740 1.733 20 5 DDBDRO COc1nc(C)c([N+](=O)[O-])c(N2CCC([C@H]3CCC[NH2+]3)CC2)n1 ZINC001166902235 870353881 /nfs/dbraw/zinc/35/38/81/870353881.db2.gz BSEFXOUUPGVUEE-GFCCVEGCSA-N 1 0 321.381 1.670 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC001339316051 870442096 /nfs/dbraw/zinc/44/20/96/870442096.db2.gz GECHUHDHBHXLHO-LEWSCRJBSA-N 1 0 319.361 1.673 20 5 DDBDRO C[C@@H](O)[C@@H](O)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC001203276198 870523475 /nfs/dbraw/zinc/52/34/75/870523475.db2.gz JRDAFSQBWLBKGN-YGRLFVJLSA-N 1 0 306.318 1.686 20 5 DDBDRO C[NH+](C)CC[C@@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001303475847 871127168 /nfs/dbraw/zinc/12/71/68/871127168.db2.gz DFTRDIVHJQJBLX-CQSZACIVSA-N 1 0 305.378 1.938 20 5 DDBDRO CN(CC(=O)N1C[C@H]([NH3+])C(C)(C)C1)c1ccccc1[N+](=O)[O-] ZINC001341080719 871493547 /nfs/dbraw/zinc/49/35/47/871493547.db2.gz QEVDEEBSIURQBQ-ZDUSSCGKSA-N 1 0 306.366 1.227 20 5 DDBDRO [NH3+]C[C@H]1CC2(CO1)CCN(C(=O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC001341096578 871501163 /nfs/dbraw/zinc/50/11/63/871501163.db2.gz PDAMKDHDOGOLIZ-CQSZACIVSA-N 1 0 319.361 1.565 20 5 DDBDRO COC[C@]1(C(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)CCCC[NH2+]1 ZINC001341110463 871508795 /nfs/dbraw/zinc/50/87/95/871508795.db2.gz WICZNGDCHHJNMJ-WBMJQRKESA-N 1 0 321.377 1.931 20 5 DDBDRO CO[C@H](C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1CCOC1 ZINC001308723287 871519743 /nfs/dbraw/zinc/51/97/43/871519743.db2.gz PMDXOPIEXCNYEM-QMTHXVAHSA-N 1 0 320.349 1.612 20 5 DDBDRO O=C(NCCNc1ccc([N+](=O)[O-])cc1)[C@]12C[C@H]1CCC[NH2+]2 ZINC001341312391 871603967 /nfs/dbraw/zinc/60/39/67/871603967.db2.gz UTTOBNLFAATTQJ-ABAIWWIYSA-N 1 0 304.350 1.265 20 5 DDBDRO CC(C)(C)[NH+]1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC001341474093 871673759 /nfs/dbraw/zinc/67/37/59/871673759.db2.gz QTENWKHFFZYXRF-UHFFFAOYSA-N 1 0 304.354 1.558 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CCCC[C@H]1[NH+](C)C ZINC001318385891 871976874 /nfs/dbraw/zinc/97/68/74/871976874.db2.gz OSTGCFHGTKKKTL-UONOGXRCSA-N 1 0 306.366 1.901 20 5 DDBDRO CO[C@@H]1C[NH2+][C@@](C)(C(=O)NC[C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC001342071802 871987017 /nfs/dbraw/zinc/98/70/17/871987017.db2.gz CZMUCNDRBDJYRH-MQIPJXDCSA-N 1 0 321.377 1.582 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)C1(C[NH3+])CCOCC1 ZINC001342096987 872001478 /nfs/dbraw/zinc/00/14/78/872001478.db2.gz SIOKYVYCCBDCQZ-UHFFFAOYSA-N 1 0 307.350 1.483 20 5 DDBDRO O=[N+]([O-])C[C@@H](OCC[NH+]1CCCC1)c1ccc2c(c1)OCO2 ZINC001206309967 872200233 /nfs/dbraw/zinc/20/02/33/872200233.db2.gz YNERGEZEEIFRPQ-OAHLLOKOSA-N 1 0 308.334 1.846 20 5 DDBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(OC2C[NH2+]C2)CC1 ZINC001342489353 872233877 /nfs/dbraw/zinc/23/38/77/872233877.db2.gz BFPBNVRCRLJTQC-UHFFFAOYSA-N 1 0 305.334 1.188 20 5 DDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC001318812830 872284876 /nfs/dbraw/zinc/28/48/76/872284876.db2.gz GKXFWXGWZHEBPG-LLVKDONJSA-N 1 0 306.366 1.708 20 5 DDBDRO COC[C@@H]1C[NH2+]CCN1C(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC001343054075 872484403 /nfs/dbraw/zinc/48/44/03/872484403.db2.gz KZSGWBRANYVYIE-ZDUSSCGKSA-N 1 0 321.377 1.779 20 5 DDBDRO CS[C@H]1CC[C@@H]([N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC001319451835 872635860 /nfs/dbraw/zinc/63/58/60/872635860.db2.gz QQCUGUIIBJOVSI-YPMHNXCESA-N 1 0 311.407 1.972 20 5 DDBDRO COC(=O)[C@H]1CCC[C@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC001346243524 873663776 /nfs/dbraw/zinc/66/37/76/873663776.db2.gz GPYUVJBVCADDMU-UONOGXRCSA-N 1 0 308.334 1.905 20 5 DDBDRO O=C(CNc1ccccc1[N+](=O)[O-])NCC[C@H]1CCC[NH2+]CC1 ZINC001346497308 873777302 /nfs/dbraw/zinc/77/73/02/873777302.db2.gz ZYVABEGBFUTWTC-ZDUSSCGKSA-N 1 0 320.393 1.903 20 5 DDBDRO Cc1n[nH]c(=O)c(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)c1C ZINC001348957882 874894975 /nfs/dbraw/zinc/89/49/75/874894975.db2.gz LVFXKOQAPVKAIT-CQSZACIVSA-N 1 0 318.333 1.530 20 5 DDBDRO Cc1cc(NC(=O)NC[C@@H]2C[N@@H+](C)CCN2C)cc([N+](=O)[O-])c1 ZINC001350262738 875602404 /nfs/dbraw/zinc/60/24/04/875602404.db2.gz RYAGIUWPVSILIX-CQSZACIVSA-N 1 0 321.381 1.271 20 5 DDBDRO COC(=O)c1cc(OC)c(O[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC001218281858 877441935 /nfs/dbraw/zinc/44/19/35/877441935.db2.gz LRRPZUUDSQCWRP-SECBINFHSA-N 1 0 310.306 1.521 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1COC2(C[NH2+]C2)C1 ZINC001354261001 877844303 /nfs/dbraw/zinc/84/43/03/877844303.db2.gz XFVYUFIDVVNYIT-NSHDSACASA-N 1 0 305.334 1.072 20 5 DDBDRO O=C(Nc1cc2cccnc2c2ncccc12)[C@@H]1C[NH2+]C[C@@H]1O ZINC001218979914 877847735 /nfs/dbraw/zinc/84/77/35/877847735.db2.gz LBQVBJQJHMQSRB-OCCSQVGLSA-N 1 0 308.341 1.302 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CCCC(F)F ZINC001356113783 878870531 /nfs/dbraw/zinc/87/05/31/878870531.db2.gz NSTMIHWHVNGPPE-SNVBAGLBSA-N 1 0 304.293 1.969 20 5 DDBDRO C[C@@H]1CN(CC[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)CO1 ZINC001356619743 879133595 /nfs/dbraw/zinc/13/35/95/879133595.db2.gz SLQDETIKGXZMQO-ZENOOKHLSA-N 1 0 323.393 1.327 20 5 DDBDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])C1 ZINC001357443806 879974415 /nfs/dbraw/zinc/97/44/15/879974415.db2.gz DBPQWUSNYDZWOA-JQWIXIFHSA-N 1 0 309.341 1.862 20 5 DDBDRO COC(=O)[C@@H]1C[C@@H](OCc2ccc(C)c([N+](=O)[O-])c2)CN1C ZINC001223223737 880880505 /nfs/dbraw/zinc/88/05/05/880880505.db2.gz FDGIQOAXDXTTMD-OCCSQVGLSA-N 1 0 308.334 1.666 20 5 DDBDRO COC(=O)c1cccc(CO[C@H]2C[NH+]3CCC2CC3)c1[N+](=O)[O-] ZINC001223663417 881048845 /nfs/dbraw/zinc/04/88/45/881048845.db2.gz WNSWPEUTCCIKPL-AWEZNQCLSA-N 1 0 320.345 1.992 20 5 DDBDRO COc1cc(OC(=O)C[C@@H](O)C[N+](C)(C)C)nc2ccccc21 ZINC001229443741 883986843 /nfs/dbraw/zinc/98/68/43/883986843.db2.gz JWVHAJPYTWGXHE-GFCCVEGCSA-N 1 0 319.381 1.606 20 5 DDBDRO O=[N+]([O-])c1c[n+]([O-])ccc1O[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001229454840 883992654 /nfs/dbraw/zinc/99/26/54/883992654.db2.gz RGEWWXDICQYJOG-AWEZNQCLSA-N 1 0 315.329 1.882 20 5 DDBDRO CC(C)Oc1c(F)cncc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001234301256 887839772 /nfs/dbraw/zinc/83/97/72/887839772.db2.gz RUTYFRNMLSUHEP-LLVKDONJSA-N 1 0 315.365 1.371 20 5 DDBDRO CCOCCC(=O)NCCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001235583595 888770637 /nfs/dbraw/zinc/77/06/37/888770637.db2.gz MOKHWSWRQRTJMR-UHFFFAOYSA-N 1 0 323.393 1.960 20 5 DDBDRO C[NH+](C)CCCNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC001248492527 893642851 /nfs/dbraw/zinc/64/28/51/893642851.db2.gz ZHNCTIJESLAGDE-UHFFFAOYSA-N 1 0 306.366 1.851 20 5 DDBDRO C[NH+](C)CCCNC(=S)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001252214748 895040660 /nfs/dbraw/zinc/04/06/60/895040660.db2.gz CYEJGZAUBDQFHC-UHFFFAOYSA-N 1 0 308.407 1.737 20 5 DDBDRO C[NH+](C)[C@H]1CCCC[C@@H]1Nc1ccc2ncc([N+](=O)[O-])n2n1 ZINC001253935915 896161169 /nfs/dbraw/zinc/16/11/69/896161169.db2.gz WRFCGDPPXVACTH-QWRGUYRKSA-N 1 0 304.354 1.922 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@]1(CN)CN2CCC1CC2 ZINC001254548200 896499141 /nfs/dbraw/zinc/49/91/41/896499141.db2.gz LFQGIEMRFGUBKI-CXAGYDPISA-N 1 0 318.421 1.539 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCOC[C@@H]1C[NH+](C)C ZINC001254563860 896502100 /nfs/dbraw/zinc/50/21/00/896502100.db2.gz FIVNLCJHSATGLG-HIFRSBDPSA-N 1 0 307.394 1.788 20 5 DDBDRO CS(=O)(=O)[C@H]1C[C@H]([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254575087 896510351 /nfs/dbraw/zinc/51/03/51/896510351.db2.gz NTDTXYAGWUNMRR-OBJOEFQTSA-N 1 0 310.375 1.227 20 5 DDBDRO CC1([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCS(=O)(=O)CC1 ZINC001254585871 896515842 /nfs/dbraw/zinc/51/58/42/896515842.db2.gz HDYKBYIZEGKIHF-CYBMUJFWSA-N 1 0 324.402 1.619 20 5 DDBDRO CC(=O)N1CCN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C[C@H]1C ZINC001254606852 896528282 /nfs/dbraw/zinc/52/82/82/896528282.db2.gz IQWMVIYCBAQFNT-BZNIZROVSA-N 1 0 303.362 1.615 20 5 DDBDRO C[N@@H+]1CCCC[C@@H]1CNC(=O)COc1ccccc1[N+](=O)[O-] ZINC001262653563 900287143 /nfs/dbraw/zinc/28/71/43/900287143.db2.gz KOHXNOQTNKMFDQ-GFCCVEGCSA-N 1 0 307.350 1.574 20 5 DDBDRO C[C@H](c1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1C)[N+](=O)[O-] ZINC001262863422 900400133 /nfs/dbraw/zinc/40/01/33/900400133.db2.gz FANFEPPHYWVPFI-GFCCVEGCSA-N 1 0 324.429 1.711 20 5 DDBDRO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)NCc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC001263074195 900482479 /nfs/dbraw/zinc/48/24/79/900482479.db2.gz ZQSAPGJGYPWFFI-MJBXVCDLSA-N 1 0 318.377 1.734 20 5 DDBDRO CCOc1cc(C(=O)NOC[C@H](C)[NH3+])c([N+](=O)[O-])cc1OC ZINC001263139757 900511248 /nfs/dbraw/zinc/51/12/48/900511248.db2.gz DXTWQXXFJSYXHC-QMMMGPOBSA-N 1 0 313.310 1.011 20 5 DDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000449201332 230588214 /nfs/dbraw/zinc/58/82/14/230588214.db2.gz IMHREPYVZUDMPX-CABCVRRESA-N 1 0 317.389 1.985 20 5 DDBDRO COc1ccc(OCC[NH2+][C@H](C)[C@H]2CCOC2)c([N+](=O)[O-])c1 ZINC000162659386 197582686 /nfs/dbraw/zinc/58/26/86/197582686.db2.gz PLGQJVZHMPQJNP-NEPJUHHUSA-N 1 0 310.350 1.997 20 5 DDBDRO COc1cc(C(=O)NCC2(C)CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000181277359 199274762 /nfs/dbraw/zinc/27/47/62/199274762.db2.gz FQILGYBOPXPBMW-UHFFFAOYSA-N 1 0 307.350 1.723 20 5 DDBDRO CCOc1cc(C[N@@H+]2CC[C@@]3(CNC(=O)C3)C2)ccc1[N+](=O)[O-] ZINC000278779449 214396605 /nfs/dbraw/zinc/39/66/05/214396605.db2.gz DBNAGSRALJTOQX-MRXNPFEDSA-N 1 0 319.361 1.706 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CC[N@H+](CCO)[C@@H](C)C1 ZINC000249571482 282174664 /nfs/dbraw/zinc/17/46/64/282174664.db2.gz OJOBZOQDJNVMET-ZDUSSCGKSA-N 1 0 323.393 1.492 20 5 DDBDRO COC[C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000452078489 231292439 /nfs/dbraw/zinc/29/24/39/231292439.db2.gz DPBIPMVMPCERNM-CYBMUJFWSA-N 1 0 309.366 1.505 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C3CC3)C[C@@H](C)C2)n1 ZINC000452173047 231324852 /nfs/dbraw/zinc/32/48/52/231324852.db2.gz LVZPTVKMRNOAJE-LLVKDONJSA-N 1 0 321.381 1.368 20 5 DDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H]1CCC[N@H+](C)C1 ZINC000301981077 529933019 /nfs/dbraw/zinc/93/30/19/529933019.db2.gz IOXWGGWJCMXXIW-NSHDSACASA-N 1 0 306.366 1.708 20 5 DDBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000418351671 529933637 /nfs/dbraw/zinc/93/36/37/529933637.db2.gz ZWZCFSGQLPZABT-CQSZACIVSA-N 1 0 320.393 1.778 20 5 DDBDRO CN(CC(=O)N(C)C1CC[NH2+]CC1)c1ccccc1[N+](=O)[O-] ZINC000237295195 282339246 /nfs/dbraw/zinc/33/92/46/282339246.db2.gz YTMHXAPQPKHFLB-UHFFFAOYSA-N 1 0 306.366 1.241 20 5 DDBDRO C[C@@H](O)[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000272621868 210024085 /nfs/dbraw/zinc/02/40/85/210024085.db2.gz UVHHPDIMZDTJPU-NEPJUHHUSA-N 1 0 307.350 1.626 20 5 DDBDRO C[C@H]1C[C@@H](C[NH3+])CN1S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000126854191 185898620 /nfs/dbraw/zinc/89/86/20/185898620.db2.gz KMIPYVAZXFXNKU-IUCAKERBSA-N 1 0 317.342 1.092 20 5 DDBDRO CCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000071312716 190955700 /nfs/dbraw/zinc/95/57/00/190955700.db2.gz MLLSAVDEFWRAEF-LLVKDONJSA-N 1 0 313.379 1.276 20 5 DDBDRO C[C@H](NC(=O)NC[C@H]1CCC[NH2+]C1)c1ccccc1[N+](=O)[O-] ZINC000417995380 299162967 /nfs/dbraw/zinc/16/29/67/299162967.db2.gz ZMMKKZOYOQXMFF-RYUDHWBXSA-N 1 0 306.366 1.955 20 5 DDBDRO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCC2(C1)CC[NH2+]CC2 ZINC000358503023 299175896 /nfs/dbraw/zinc/17/58/96/299175896.db2.gz DKTGKZQDBDZGDF-UHFFFAOYSA-N 1 0 307.325 1.950 20 5 DDBDRO CC(C)[NH2+]CCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000036299726 352295424 /nfs/dbraw/zinc/29/54/24/352295424.db2.gz PVGLKMHFBDVVMP-UHFFFAOYSA-N 1 0 301.368 1.261 20 5 DDBDRO CC[NH+]1CCC(NC(=O)NCc2ccccc2[N+](=O)[O-])CC1 ZINC000043291913 352364865 /nfs/dbraw/zinc/36/48/65/352364865.db2.gz QYJXBMABPWFLPE-UHFFFAOYSA-N 1 0 306.366 1.878 20 5 DDBDRO COc1ccc(C(=O)NC[C@H](C)[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000046408601 352451543 /nfs/dbraw/zinc/45/15/43/352451543.db2.gz LGTDVIHROVXEGB-NSHDSACASA-N 1 0 307.350 1.818 20 5 DDBDRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@H]1C[C@@H]1[N+](=O)[O-] ZINC000047268314 352488681 /nfs/dbraw/zinc/48/86/81/352488681.db2.gz JNTCTNCQJGDGEI-GJZGRUSLSA-N 1 0 303.362 1.432 20 5 DDBDRO CC[NH+](CC)CCNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000067952578 353076719 /nfs/dbraw/zinc/07/67/19/353076719.db2.gz UHZIUACNTRUILL-UHFFFAOYSA-N 1 0 305.338 1.543 20 5 DDBDRO C[C@@H](CNC(=O)COc1cccc([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC000068064837 353084730 /nfs/dbraw/zinc/08/47/30/353084730.db2.gz HHELKOIJJFHDNZ-LBPRGKRZSA-N 1 0 307.350 1.574 20 5 DDBDRO C[C@@H](CNC(=O)CCn1cc([N+](=O)[O-])cn1)[N@@H+]1CCC[C@@H](C)C1 ZINC000068118527 353090007 /nfs/dbraw/zinc/09/00/07/353090007.db2.gz HDUTYEPVCRTIJZ-OLZOCXBDSA-N 1 0 323.397 1.418 20 5 DDBDRO Cc1cc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)ncc1[N+](=O)[O-] ZINC000074750773 353328444 /nfs/dbraw/zinc/32/84/44/353328444.db2.gz JVSRBNDTMSYFTE-AWEZNQCLSA-N 1 0 320.393 1.847 20 5 DDBDRO CC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C[C@@H](C)O ZINC000174590078 198356787 /nfs/dbraw/zinc/35/67/87/198356787.db2.gz LNEYDDZGKZERDH-OCCSQVGLSA-N 1 0 321.377 1.512 20 5 DDBDRO CC[C@@H](CO)[NH+]1CCN(Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000075963330 353388743 /nfs/dbraw/zinc/38/87/43/353388743.db2.gz QJRSLICIXVWTMV-AWEZNQCLSA-N 1 0 323.393 1.492 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1CN1CCCC[C@H]1C(=[NH2+])NO ZINC000370724491 307134136 /nfs/dbraw/zinc/13/41/36/307134136.db2.gz LKBWIAXHKKWSBI-LBPRGKRZSA-N 1 0 308.338 1.914 20 5 DDBDRO C[NH+](C)CCn1nnnc1SCc1csc([N+](=O)[O-])c1 ZINC000077433225 353468447 /nfs/dbraw/zinc/46/84/47/353468447.db2.gz CQZPVEXVSQAWKT-UHFFFAOYSA-N 1 0 314.396 1.497 20 5 DDBDRO CCCC[N@H+](CCO)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000078665045 353527762 /nfs/dbraw/zinc/52/77/62/353527762.db2.gz QXAVOCMLJRDUBT-UHFFFAOYSA-N 1 0 309.366 1.936 20 5 DDBDRO C[C@H]1C[N@@H+](C2CCN(c3c([N+](=O)[O-])ncn3C)CC2)CCO1 ZINC000078960995 353543148 /nfs/dbraw/zinc/54/31/48/353543148.db2.gz IHVKREMAINXHPQ-NSHDSACASA-N 1 0 309.370 1.018 20 5 DDBDRO CCOC(=O)c1ccnc(NC[C@@H](C2CC2)[NH+](C)C)c1[N+](=O)[O-] ZINC000077964958 353498207 /nfs/dbraw/zinc/49/82/07/353498207.db2.gz IWKBWTVYWJTFIR-LBPRGKRZSA-N 1 0 322.365 1.919 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000088718358 353757671 /nfs/dbraw/zinc/75/76/71/353757671.db2.gz PAPWLLYPXZHOOK-CYBMUJFWSA-N 1 0 320.393 1.903 20 5 DDBDRO COC(=O)CC[N@@H+]1CCN(c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000089265856 353763757 /nfs/dbraw/zinc/76/37/57/353763757.db2.gz YSTWVCRNPNFFMB-LBPRGKRZSA-N 1 0 307.350 1.668 20 5 DDBDRO Cc1cc([N+](=O)[O-])cnc1NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000089603086 353776076 /nfs/dbraw/zinc/77/60/76/353776076.db2.gz RTGGWWRAXWKPGN-CYBMUJFWSA-N 1 0 306.366 1.963 20 5 DDBDRO Cc1cc([N+](=O)[O-])cnc1NCCCC[NH+]1CCN(C)CC1 ZINC000092606996 353863424 /nfs/dbraw/zinc/86/34/24/353863424.db2.gz LIWYEOCFZHACIL-UHFFFAOYSA-N 1 0 307.398 1.738 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000277039169 213256535 /nfs/dbraw/zinc/25/65/35/213256535.db2.gz HBIMQNHJZWFVRB-RISCZKNCSA-N 1 0 319.361 1.770 20 5 DDBDRO CCOc1ccc(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000162203114 354246005 /nfs/dbraw/zinc/24/60/05/354246005.db2.gz IILWUHFRFKYXJT-VXGBXAGGSA-N 1 0 307.350 1.993 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2CCCc3sccc32)c1 ZINC000315531651 354494936 /nfs/dbraw/zinc/49/49/36/354494936.db2.gz HDFADFVJGBEWIW-YPMHNXCESA-N 1 0 322.390 1.881 20 5 DDBDRO O=C(Cc1ccccc1[N+](=O)[O-])N[C@H]1CC[NH2+]C12CCCC2 ZINC000401471001 354664351 /nfs/dbraw/zinc/66/43/51/354664351.db2.gz HRICEKIVDMPYBP-AWEZNQCLSA-N 1 0 303.362 1.928 20 5 DDBDRO [NH3+]C[C@H](NC(=O)c1c(Cl)cccc1[N+](=O)[O-])C(F)(F)F ZINC000401759775 354667218 /nfs/dbraw/zinc/66/72/18/354667218.db2.gz UIEKVFCEJXZCDZ-ZETCQYMHSA-N 1 0 311.647 1.868 20 5 DDBDRO CC[C@@H](C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CC(F)(F)F ZINC000402662911 354669169 /nfs/dbraw/zinc/66/91/69/354669169.db2.gz VELBCWXLUJVPBC-MWLCHTKSSA-N 1 0 324.303 1.720 20 5 DDBDRO C[C@@H]1CCCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H]1CC[NH3+] ZINC000404323810 354676082 /nfs/dbraw/zinc/67/60/82/354676082.db2.gz SSAOMUQQOLOUHV-RISCZKNCSA-N 1 0 320.393 1.643 20 5 DDBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601310473 358490132 /nfs/dbraw/zinc/49/01/32/358490132.db2.gz PMJFASSNPBLPCY-JOYOIKCWSA-N 1 0 307.325 1.946 20 5 DDBDRO COc1cccc(N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)c1[N+](=O)[O-] ZINC000585781955 354841255 /nfs/dbraw/zinc/84/12/55/354841255.db2.gz GTKLYKWYLNOSMY-CHWSQXEVSA-N 1 0 307.350 1.513 20 5 DDBDRO C[N@@H+]1CCC[C@@H]2CN(c3cc(N)c([N+](=O)[O-])c(CO)c3)CC[C@H]21 ZINC000588001107 354892015 /nfs/dbraw/zinc/89/20/15/354892015.db2.gz ONQNTEZXBNMFNE-IAQYHMDHSA-N 1 0 320.393 1.590 20 5 DDBDRO CC[C@@H]1C[N@H+](Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C[C@@H]1O ZINC000589505443 354998200 /nfs/dbraw/zinc/99/82/00/354998200.db2.gz IHHOEQQDYYBZGI-YGRLFVJLSA-N 1 0 308.334 1.584 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@@H]2C[N@@H+](C)C[C@H]21 ZINC000590011323 355040107 /nfs/dbraw/zinc/04/01/07/355040107.db2.gz HYVXHWXAYNKYOL-IUODEOHRSA-N 1 0 318.377 1.478 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]1CCCNC1=O ZINC000590971760 355226965 /nfs/dbraw/zinc/22/69/65/355226965.db2.gz KURYUHOEFBXPSS-NSHDSACASA-N 1 0 307.350 1.609 20 5 DDBDRO CC[C@@H]1CN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC[C@H]1[NH3+] ZINC000591347044 355294398 /nfs/dbraw/zinc/29/43/98/355294398.db2.gz GRGKQIRXYVFXAB-UKRRQHHQSA-N 1 0 320.393 1.906 20 5 DDBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000591348005 355294483 /nfs/dbraw/zinc/29/44/83/355294483.db2.gz RPKDYFYKHKWDLU-BFHYXJOUSA-N 1 0 318.377 1.782 20 5 DDBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000591358831 355299569 /nfs/dbraw/zinc/29/95/69/355299569.db2.gz IZWXAKHDWKDIKZ-AWEZNQCLSA-N 1 0 320.393 1.921 20 5 DDBDRO CCOC(=O)c1cc(N2CC[C@H]3CC[NH2+][C@@H]3C2)ccc1[N+](=O)[O-] ZINC000591439344 355311057 /nfs/dbraw/zinc/31/10/57/355311057.db2.gz SZILRRZTVLYNFV-BXUZGUMPSA-N 1 0 319.361 1.960 20 5 DDBDRO CN(C(=O)CN1CC[C@H]2CC[NH2+][C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000591449570 355314469 /nfs/dbraw/zinc/31/44/69/355314469.db2.gz WIPYJIDGGGRDRF-IUODEOHRSA-N 1 0 318.377 1.241 20 5 DDBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000591285029 355278391 /nfs/dbraw/zinc/27/83/91/355278391.db2.gz ZHZNGBKIYCSMJG-ZBFHGGJFSA-N 1 0 317.389 1.795 20 5 DDBDRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1c1ccc(F)cc1[N+](=O)[O-] ZINC000591982778 355453069 /nfs/dbraw/zinc/45/30/69/355453069.db2.gz RHPVMHKMZOLWSC-JTQLQIEISA-N 1 0 310.329 1.290 20 5 DDBDRO CCCc1n[nH]c(C(=O)N2CC[NH2+][C@@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000592242288 355546083 /nfs/dbraw/zinc/54/60/83/355546083.db2.gz RHDNQAHQALDEGK-LLVKDONJSA-N 1 0 309.370 1.340 20 5 DDBDRO COC(=O)c1cc(C(=O)NC[C@H]2CCCC[NH2+]2)cc([N+](=O)[O-])c1 ZINC000592292699 355553899 /nfs/dbraw/zinc/55/38/99/355553899.db2.gz IICFJGJSXBDQHN-GFCCVEGCSA-N 1 0 321.333 1.253 20 5 DDBDRO COc1cc(C(=O)N[C@@H]2CCC[NH2+]CC2)cc([N+](=O)[O-])c1C ZINC000592330199 355560645 /nfs/dbraw/zinc/56/06/45/355560645.db2.gz IJLXECJDKPCKNV-GFCCVEGCSA-N 1 0 307.350 1.784 20 5 DDBDRO CC[C@H]1CN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC[C@H]1[NH3+] ZINC000592545857 355623126 /nfs/dbraw/zinc/62/31/26/355623126.db2.gz ZVPXBRODLSDHOH-GXSJLCMTSA-N 1 0 321.333 1.523 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@](C)(CO)C(C)C)c1 ZINC000593028618 355774563 /nfs/dbraw/zinc/77/45/63/355774563.db2.gz IIINGUNVTVHPPE-OAHLLOKOSA-N 1 0 310.350 1.878 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[C@@H]3C[N@H+](C)C[C@H]32)c1 ZINC000593029325 355774178 /nfs/dbraw/zinc/77/41/78/355774178.db2.gz FFXPAVAPRACXDH-IUODEOHRSA-N 1 0 319.361 1.517 20 5 DDBDRO CCc1n[nH]c(C(=O)N(C)CC[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000593883540 356039843 /nfs/dbraw/zinc/03/98/43/356039843.db2.gz OJTMZFCKAUOGLN-UHFFFAOYSA-N 1 0 309.370 1.438 20 5 DDBDRO O=C(NCCNc1ccc([N+](=O)[O-])cc1)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000593902269 356048963 /nfs/dbraw/zinc/04/89/63/356048963.db2.gz RQHIFBLLXOJWAP-LSDHHAIUSA-N 1 0 318.377 1.654 20 5 DDBDRO CCCc1n[nH]c(C(=O)NCCC2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC000593918205 356059611 /nfs/dbraw/zinc/05/96/11/356059611.db2.gz CHKOWROCFDRDAU-UHFFFAOYSA-N 1 0 309.370 1.390 20 5 DDBDRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000594106457 356115127 /nfs/dbraw/zinc/11/51/27/356115127.db2.gz XLJAPRKLRNTLIG-BJHJDKERSA-N 1 0 307.350 1.430 20 5 DDBDRO CCOC(=O)c1ccnc(NC[C@H]2C[C@@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000594591782 356258358 /nfs/dbraw/zinc/25/83/58/356258358.db2.gz KQDXKDVYTHQVSI-PHIMTYICSA-N 1 0 322.365 1.919 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](C)CN1CCOCC1 ZINC000595013725 356371837 /nfs/dbraw/zinc/37/18/37/356371837.db2.gz RVAXBQZSETVYCC-STQMWFEESA-N 1 0 323.393 1.975 20 5 DDBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@]1(OCCO)CCOC1 ZINC000595072216 356378603 /nfs/dbraw/zinc/37/86/03/356378603.db2.gz QSSVQFHMZUQXEW-GDBMZVCRSA-N 1 0 322.361 1.340 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](C)[C@H]2CCC[NH3+])n1 ZINC000595258504 356422808 /nfs/dbraw/zinc/42/28/08/356422808.db2.gz ONULBTGTORRROC-VXGBXAGGSA-N 1 0 323.397 1.791 20 5 DDBDRO [NH3+]C1(CNC(=O)NCCc2cccc([N+](=O)[O-])c2)CCCC1 ZINC000595265060 356425764 /nfs/dbraw/zinc/42/57/64/356425764.db2.gz XCEBSGDIBPIPQB-UHFFFAOYSA-N 1 0 306.366 1.708 20 5 DDBDRO Cc1noc(CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c1[N+](=O)[O-] ZINC000595389814 356475562 /nfs/dbraw/zinc/47/55/62/356475562.db2.gz PWTQEOXNWIPCEY-JHJVBQTASA-N 1 0 324.381 1.575 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCC(c3ccco3)CC2)c1 ZINC000595619072 356580166 /nfs/dbraw/zinc/58/01/66/356580166.db2.gz ZQUQSEVQDXEWQM-CQSZACIVSA-N 1 0 320.349 1.625 20 5 DDBDRO CCOc1cc(C(=O)NC[C@@H](C)C[NH3+])c([N+](=O)[O-])cc1OC ZINC000237036280 202129942 /nfs/dbraw/zinc/12/99/42/202129942.db2.gz XXWFQESAGNHPRY-VIFPVBQESA-N 1 0 311.338 1.327 20 5 DDBDRO CC[NH2+]CC1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000237015368 202124396 /nfs/dbraw/zinc/12/43/96/202124396.db2.gz UGFGANSNTMNOHD-UHFFFAOYSA-N 1 0 305.378 1.985 20 5 DDBDRO COc1ccc(OCC[N@@H+]2C[C@@H](C)[C@](C)(CO)C2)c([N+](=O)[O-])c1 ZINC000595872665 356686774 /nfs/dbraw/zinc/68/67/74/356686774.db2.gz KLOYHUHEBMQXKW-WBMJQRKESA-N 1 0 324.377 1.933 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[N@H+]2C[C@]34COC[C@@]3(C2)CCCC4)c1 ZINC000595908469 356701697 /nfs/dbraw/zinc/70/16/97/356701697.db2.gz IMQLOSMHZXRZHO-GASCZTMLSA-N 1 0 306.366 1.684 20 5 DDBDRO COc1ccc(CC(=O)NCC23CC(C2)C[NH2+]3)cc1[N+](=O)[O-] ZINC000595951991 356720773 /nfs/dbraw/zinc/72/07/73/356720773.db2.gz VCHFCZCPUDNARB-UHFFFAOYSA-N 1 0 305.334 1.014 20 5 DDBDRO O=C(Cn1cc([N+](=O)[O-])cn1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595959183 356723788 /nfs/dbraw/zinc/72/37/88/356723788.db2.gz CBYVIQWOIHYKOW-ZDUSSCGKSA-N 1 0 321.381 1.030 20 5 DDBDRO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000595937481 356712901 /nfs/dbraw/zinc/71/29/01/356712901.db2.gz UZECHQSGGLQCDO-LLVKDONJSA-N 1 0 307.354 1.170 20 5 DDBDRO Cc1ccnc(N2CCC(CO)([NH2+]C(C)C)CC2)c1[N+](=O)[O-] ZINC000596251304 356833134 /nfs/dbraw/zinc/83/31/34/356833134.db2.gz POTWJMPHZPMTHN-UHFFFAOYSA-N 1 0 308.382 1.628 20 5 DDBDRO C[C@@H]1C[N@H+](CCCNc2cc[nH]c(=O)c2[N+](=O)[O-])CCCO1 ZINC000596207345 356814109 /nfs/dbraw/zinc/81/41/09/356814109.db2.gz DGYLAORCNIALFP-LLVKDONJSA-N 1 0 310.354 1.608 20 5 DDBDRO C[C@H](Nc1ccc([N+](=O)[O-])c(C(N)=O)c1)C1CC[NH+](C)CC1 ZINC000596125726 356782480 /nfs/dbraw/zinc/78/24/80/356782480.db2.gz FBTFPRIJJFTNBK-JTQLQIEISA-N 1 0 306.366 1.836 20 5 DDBDRO O=c1[nH]ccc(N2CCC[C@H]([NH+]3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000596294527 356848352 /nfs/dbraw/zinc/84/83/52/356848352.db2.gz LVQSEYXNZYZYLB-LBPRGKRZSA-N 1 0 322.365 1.387 20 5 DDBDRO C[NH2+]C[C@@H](C)N[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000596654360 356943162 /nfs/dbraw/zinc/94/31/62/356943162.db2.gz JSRRNFNREMKFPZ-BXUZGUMPSA-N 1 0 303.366 1.615 20 5 DDBDRO C[NH+](C)CCC[C@@H]1CN(c2ncc([N+](=O)[O-])cc2F)CCO1 ZINC000596564971 356918784 /nfs/dbraw/zinc/91/87/84/356918784.db2.gz FAMDCCBJPDGZCG-GFCCVEGCSA-N 1 0 312.345 1.676 20 5 DDBDRO Cn1ccnc1[C@H](N[C@H]1CC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000596648193 356940951 /nfs/dbraw/zinc/94/09/51/356940951.db2.gz KYPBVWDIZDZRCC-GXTWGEPZSA-N 1 0 301.350 1.369 20 5 DDBDRO COc1ccc(CC(=O)N2CC[C@H]([NH+](C)C)[C@H]2C)cc1[N+](=O)[O-] ZINC000597700590 357291085 /nfs/dbraw/zinc/29/10/85/357291085.db2.gz OBLPLVHZEAKGMF-YPMHNXCESA-N 1 0 321.377 1.697 20 5 DDBDRO Cc1cc(OCC(=O)N2CC[C@@H]([NH+](C)C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000597700152 357291094 /nfs/dbraw/zinc/29/10/94/357291094.db2.gz MCMCKFJEAMLUQR-IUODEOHRSA-N 1 0 321.377 1.833 20 5 DDBDRO COc1cc(C(=O)N2CC[C@@H]([NH+](C)C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000597700350 357291345 /nfs/dbraw/zinc/29/13/45/357291345.db2.gz MTGLQSPXQZXOIP-ZYHUDNBSSA-N 1 0 307.350 1.768 20 5 DDBDRO COc1ccc(CC(=O)N2CC[C@H]([NH+](C)C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000597700587 357291411 /nfs/dbraw/zinc/29/14/11/357291411.db2.gz OBLPLVHZEAKGMF-AAEUAGOBSA-N 1 0 321.377 1.697 20 5 DDBDRO CN(CC1C[NH+](C)C1)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000598161194 357478503 /nfs/dbraw/zinc/47/85/03/357478503.db2.gz CAXWMORAQFVFTH-UHFFFAOYSA-N 1 0 303.322 1.105 20 5 DDBDRO [NH3+][C@]12CCC[C@H]1CN(C(=O)CCc1cccc([N+](=O)[O-])c1)C2 ZINC000598668718 357678116 /nfs/dbraw/zinc/67/81/16/357678116.db2.gz ZBNQADJHPXGHHF-BBRMVZONSA-N 1 0 303.362 1.867 20 5 DDBDRO [NH3+][C@@]12CCC[C@@H]1CN(C(=O)CCc1cccc([N+](=O)[O-])c1)C2 ZINC000598668720 357678293 /nfs/dbraw/zinc/67/82/93/357678293.db2.gz ZBNQADJHPXGHHF-CZUORRHYSA-N 1 0 303.362 1.867 20 5 DDBDRO CC(C)[C@@H]1CN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000598574934 357637771 /nfs/dbraw/zinc/63/77/71/357637771.db2.gz MQNGIMJBJFSFII-AWEZNQCLSA-N 1 0 307.350 1.430 20 5 DDBDRO CCCN(C(=O)CCn1cc([N+](=O)[O-])nc1C)[C@H]1CC[NH2+]C1 ZINC000178892132 198948121 /nfs/dbraw/zinc/94/81/21/198948121.db2.gz PKRCSRMDVPQFCS-LBPRGKRZSA-N 1 0 309.370 1.090 20 5 DDBDRO COc1cc(C(=O)N[C@H](C)CC[NH+](C)C)cc([N+](=O)[O-])c1C ZINC000276760165 213091304 /nfs/dbraw/zinc/09/13/04/213091304.db2.gz AGJASWDJJLGMPX-SNVBAGLBSA-N 1 0 309.366 1.982 20 5 DDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@@H](O)[C@H]2CCCO2)n1 ZINC000599064044 357806235 /nfs/dbraw/zinc/80/62/35/357806235.db2.gz BFNPKVXWWVXNQA-REWJHTLYSA-N 1 0 324.381 1.405 20 5 DDBDRO Cn1ccnc1[C@@H](NCC1COC1)c1cccc([N+](=O)[O-])c1 ZINC000599079325 357809055 /nfs/dbraw/zinc/80/90/55/357809055.db2.gz DPHGMXADXIUISU-AWEZNQCLSA-N 1 0 302.334 1.654 20 5 DDBDRO CO[C@@H]1CN(c2ccc3cnccc3c2[N+](=O)[O-])C[C@@H]1OC ZINC000599080680 357809059 /nfs/dbraw/zinc/80/90/59/357809059.db2.gz POVHEZUYMIMURQ-OKILXGFUSA-N 1 0 303.318 1.993 20 5 DDBDRO CC1([NH+]2CCOCC2)CCN(c2ccncc2[N+](=O)[O-])CC1 ZINC000599161482 357833837 /nfs/dbraw/zinc/83/38/37/357833837.db2.gz YIPZAIAJRSMTES-UHFFFAOYSA-N 1 0 306.366 1.681 20 5 DDBDRO CC(C)(C)OC(=O)[C@]1(C)CCCN1CCn1cc([N+](=O)[O-])cn1 ZINC000599494163 357956358 /nfs/dbraw/zinc/95/63/58/357956358.db2.gz FIIWSHZIKUUEGE-HNNXBMFYSA-N 1 0 324.381 1.988 20 5 DDBDRO CC1(C)CCC[C@@](CO)([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000599596640 357986882 /nfs/dbraw/zinc/98/68/82/357986882.db2.gz STHCOZWWMYYCFD-MRXNPFEDSA-N 1 0 323.393 1.677 20 5 DDBDRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000599604630 357989641 /nfs/dbraw/zinc/98/96/41/357989641.db2.gz PTJPOFUDNFFGSQ-WDEREUQCSA-N 1 0 308.338 1.865 20 5 DDBDRO COc1ccc(NC(=O)NC2(C[NH3+])CCOCC2)cc1[N+](=O)[O-] ZINC000599603396 357989693 /nfs/dbraw/zinc/98/96/93/357989693.db2.gz FYXIWTJELATBSB-UHFFFAOYSA-N 1 0 324.337 1.233 20 5 DDBDRO C[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C[C@H]1C[C@@H](O)C1 ZINC000599673868 358019607 /nfs/dbraw/zinc/01/96/07/358019607.db2.gz UVPFSUZYYATKIJ-VDISTLRHSA-N 1 0 319.361 1.187 20 5 DDBDRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000599937838 358085106 /nfs/dbraw/zinc/08/51/06/358085106.db2.gz GAOWGYQKONELOM-GXFFZTMASA-N 1 0 306.366 1.880 20 5 DDBDRO COc1ccc(CC(=O)N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)cc1[N+](=O)[O-] ZINC000599999989 358100241 /nfs/dbraw/zinc/10/02/41/358100241.db2.gz IWEKHFKLJIHYBQ-ATCWAGBWSA-N 1 0 319.361 1.164 20 5 DDBDRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000237375550 202248365 /nfs/dbraw/zinc/24/83/65/202248365.db2.gz TVDXZADYHAEZKR-RNCFNFMXSA-N 1 0 317.349 1.813 20 5 DDBDRO Nc1ccc(N2CCC(CO[C@H]3CC[NH2+]C3)CC2)nc1[N+](=O)[O-] ZINC000600675325 358279667 /nfs/dbraw/zinc/27/96/67/358279667.db2.gz LAMKCZCVBNGIKA-LBPRGKRZSA-N 1 0 321.381 1.167 20 5 DDBDRO [NH3+]Cc1cccc2c1N(CCn1ccc([N+](=O)[O-])n1)CCC2 ZINC000600723014 358296410 /nfs/dbraw/zinc/29/64/10/358296410.db2.gz SZKVEFORNAFIIV-UHFFFAOYSA-N 1 0 301.350 1.703 20 5 DDBDRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000237410063 202258427 /nfs/dbraw/zinc/25/84/27/202258427.db2.gz YMXDMSPKPPKELQ-STQMWFEESA-N 1 0 320.393 1.983 20 5 DDBDRO COc1ccc(CC(=O)NC[C@@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000600690441 358283738 /nfs/dbraw/zinc/28/37/38/358283738.db2.gz KSYJLNKMPQZGBE-LBPRGKRZSA-N 1 0 307.350 1.356 20 5 DDBDRO C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000600827504 358327586 /nfs/dbraw/zinc/32/75/86/358327586.db2.gz WEOVQWUIEKUXSZ-UONOGXRCSA-N 1 0 303.362 1.957 20 5 DDBDRO O=[N+]([O-])c1ccc(OCc2cn(C3CC[NH2+]CC3)nn2)cc1 ZINC000600971120 358363799 /nfs/dbraw/zinc/36/37/99/358363799.db2.gz UIBZVVUBXUBSHD-UHFFFAOYSA-N 1 0 303.322 1.690 20 5 DDBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601169001 358430458 /nfs/dbraw/zinc/43/04/58/358430458.db2.gz IGUPSYAVHGKOOB-SFYZADRCSA-N 1 0 321.303 1.876 20 5 DDBDRO C[NH2+]C1(CNc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)CCC1 ZINC000601171341 358432277 /nfs/dbraw/zinc/43/22/77/358432277.db2.gz MKDCNYYPLODHSE-UHFFFAOYSA-N 1 0 307.276 1.901 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000601558661 358600673 /nfs/dbraw/zinc/60/06/73/358600673.db2.gz RLWQDFVGBSQJAC-DOMZBBRYSA-N 1 0 319.361 1.574 20 5 DDBDRO Cc1cc([N+](=O)[O-])nn1C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000601960860 358754620 /nfs/dbraw/zinc/75/46/20/358754620.db2.gz WVFGYYWAYBPQCM-INIZCTEOSA-N 1 0 316.361 1.737 20 5 DDBDRO O=[N+]([O-])c1nccn1C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000601965307 358755918 /nfs/dbraw/zinc/75/59/18/358755918.db2.gz UAPAUJNZAZIPRZ-HNNXBMFYSA-N 1 0 302.334 1.428 20 5 DDBDRO COCC[C@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602524926 359025859 /nfs/dbraw/zinc/02/58/59/359025859.db2.gz AYZGCCKEGOAIOB-LBPRGKRZSA-N 1 0 308.382 1.973 20 5 DDBDRO CN(CCOCC[NH3+])C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000602550641 359040728 /nfs/dbraw/zinc/04/07/28/359040728.db2.gz LPJQIZBJVLTSRA-UHFFFAOYSA-N 1 0 301.730 1.296 20 5 DDBDRO O=C(c1c(F)cccc1[N+](=O)[O-])N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000602494686 359014453 /nfs/dbraw/zinc/01/44/53/359014453.db2.gz HTOLWAFIIUXJHQ-PHIMTYICSA-N 1 0 307.325 1.806 20 5 DDBDRO Cn1cc(C[N@@H+]2CCSC3(CCOCC3)C2)c([N+](=O)[O-])n1 ZINC000602618539 359077627 /nfs/dbraw/zinc/07/76/27/359077627.db2.gz IXBNMRLBJMNFMQ-UHFFFAOYSA-N 1 0 312.395 1.426 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@H](C2CCOCC2)C1 ZINC000602793658 359196745 /nfs/dbraw/zinc/19/67/45/359196745.db2.gz CFASUUYFDAMPIL-AWEZNQCLSA-N 1 0 308.382 1.848 20 5 DDBDRO COc1ccc(C[N@H+]2C[C@@H](OC)C[C@]2(C)CO)cc1[N+](=O)[O-] ZINC000602963873 359327730 /nfs/dbraw/zinc/32/77/30/359327730.db2.gz JLEQPQOAGDOFCA-SWLSCSKDSA-N 1 0 310.350 1.575 20 5 DDBDRO CC[C@]1(O)CCC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000602982687 359337659 /nfs/dbraw/zinc/33/76/59/359337659.db2.gz WUAJRYJQQFKXQC-HOCLYGCPSA-N 1 0 324.377 1.571 20 5 DDBDRO COCC[NH2+]CCc1cn([C@H](C)c2ccccc2[N+](=O)[O-])nn1 ZINC000603217627 359488630 /nfs/dbraw/zinc/48/86/30/359488630.db2.gz JFKJSWWREHTSTQ-GFCCVEGCSA-N 1 0 319.365 1.574 20 5 DDBDRO COCC[NH2+]CCc1cn([C@@H](C)c2ccccc2[N+](=O)[O-])nn1 ZINC000603217634 359488947 /nfs/dbraw/zinc/48/89/47/359488947.db2.gz JFKJSWWREHTSTQ-LBPRGKRZSA-N 1 0 319.365 1.574 20 5 DDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)CC[N@H+](C)C1CC1 ZINC000186782719 200009669 /nfs/dbraw/zinc/00/96/69/200009669.db2.gz GWFRCXGBMCTDBX-GFCCVEGCSA-N 1 0 320.393 1.948 20 5 DDBDRO C[C@H]1COCC[N@@H+]1C1CCN(c2ccncc2[N+](=O)[O-])CC1 ZINC000603400393 359616397 /nfs/dbraw/zinc/61/63/97/359616397.db2.gz HLLCJWDUHKEZBL-LBPRGKRZSA-N 1 0 306.366 1.679 20 5 DDBDRO Cn1cc(CN2C[C@H]([NH3+])CCc3ccccc32)c([N+](=O)[O-])n1 ZINC000603431426 359636267 /nfs/dbraw/zinc/63/62/67/359636267.db2.gz XAEHRMKOTWWWET-CYBMUJFWSA-N 1 0 301.350 1.608 20 5 DDBDRO C[NH+](C)CCn1cc(NC(=O)c2csc([N+](=O)[O-])c2)cn1 ZINC000604511328 359758874 /nfs/dbraw/zinc/75/88/74/359758874.db2.gz WKHXHUCRSBIMQP-UHFFFAOYSA-N 1 0 309.351 1.667 20 5 DDBDRO [NH3+]C1CCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000237853581 202370950 /nfs/dbraw/zinc/37/09/50/202370950.db2.gz SHXVFDNMMWJENF-UHFFFAOYSA-N 1 0 315.333 1.344 20 5 DDBDRO C[NH2+]CCN(C)S(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000440831113 283526225 /nfs/dbraw/zinc/52/62/25/283526225.db2.gz HWEHAKGIZMGFIQ-UHFFFAOYSA-N 1 0 301.368 1.052 20 5 DDBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000609833287 360354181 /nfs/dbraw/zinc/35/41/81/360354181.db2.gz GCIHQCOVRXTMDB-CYBMUJFWSA-N 1 0 321.377 1.964 20 5 DDBDRO O=[N+]([O-])c1ccccc1CC[NH2+]C[C@H]1CNc2ccnn2C1 ZINC000610271388 360404611 /nfs/dbraw/zinc/40/46/11/360404611.db2.gz RDFDHHNIJINMCB-LBPRGKRZSA-N 1 0 301.350 1.665 20 5 DDBDRO Cc1cnc(N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c([N+](=O)[O-])c1 ZINC000610284068 360408387 /nfs/dbraw/zinc/40/83/87/360408387.db2.gz MSGHWZFQTSSVBK-TZMCWYRMSA-N 1 0 306.366 1.334 20 5 DDBDRO CC[C@@H](C[NH+]1CCCC1)Nc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000610715970 360514601 /nfs/dbraw/zinc/51/46/01/360514601.db2.gz OOFRVNRURQWMMP-LBPRGKRZSA-N 1 0 306.366 1.980 20 5 DDBDRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])s2)CC1 ZINC000610808399 360542477 /nfs/dbraw/zinc/54/24/77/360542477.db2.gz IJRXARYEYXTDMG-NSHDSACASA-N 1 0 324.406 1.399 20 5 DDBDRO C[C@@H]1CCC[N@H+](CCNc2cc(N)c([N+](=O)[O-])c(CO)c2)C1 ZINC000611525546 360747018 /nfs/dbraw/zinc/74/70/18/360747018.db2.gz KEEGBZZHPRZSNQ-LLVKDONJSA-N 1 0 308.382 1.813 20 5 DDBDRO CCN1CC[NH+](C[C@@H](C)CNc2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000193389453 201043278 /nfs/dbraw/zinc/04/32/78/201043278.db2.gz LJCNPWNMZRQJME-ZDUSSCGKSA-N 1 0 321.425 1.863 20 5 DDBDRO CCc1nn(C)cc1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000618822609 363769941 /nfs/dbraw/zinc/76/99/41/363769941.db2.gz HMOUOIHMWPPEBP-UHFFFAOYSA-N 1 0 318.381 1.924 20 5 DDBDRO C[NH+](C)C1CCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000193737899 201114435 /nfs/dbraw/zinc/11/44/35/201114435.db2.gz ULBSSERAVZTNNL-UHFFFAOYSA-N 1 0 320.349 1.086 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])c(NCCC[N@@H+]2CCC[C@H]2C(N)=O)n1 ZINC000359099315 299327995 /nfs/dbraw/zinc/32/79/95/299327995.db2.gz VFLMGVYXNSFZMO-LBPRGKRZSA-N 1 0 321.381 1.358 20 5 DDBDRO COCC[N@H+](C)CCNC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000579422462 422764648 /nfs/dbraw/zinc/76/46/48/422764648.db2.gz RKXDSZADPBWGNR-GFCCVEGCSA-N 1 0 309.366 1.393 20 5 DDBDRO CCCc1n[nH]c(C(=O)N2CCC3(C[NH+](C)C3)C2)c1[N+](=O)[O-] ZINC000618920882 363801544 /nfs/dbraw/zinc/80/15/44/363801544.db2.gz GSJQTBJJKXWBDJ-UHFFFAOYSA-N 1 0 307.354 1.048 20 5 DDBDRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000619566049 364063231 /nfs/dbraw/zinc/06/32/31/364063231.db2.gz VZBMFVRTDITFLG-ZDUSSCGKSA-N 1 0 313.379 1.185 20 5 DDBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)NCC(F)F)cc1[N+](=O)[O-] ZINC000271821708 209243542 /nfs/dbraw/zinc/24/35/42/209243542.db2.gz UNYFMJIQWOZPSJ-VIFPVBQESA-N 1 0 301.293 1.935 20 5 DDBDRO C[C@@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1cn[nH]c1 ZINC000275146981 212150666 /nfs/dbraw/zinc/15/06/66/212150666.db2.gz FWMSQWSHANNJJM-ZWNOBZJWSA-N 1 0 306.322 1.408 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N1CCC2(CC[NH2+]C2)CC1 ZINC000261874753 203141274 /nfs/dbraw/zinc/14/12/74/203141274.db2.gz SRAUSSHQLBGPIO-UHFFFAOYSA-N 1 0 319.361 1.576 20 5 DDBDRO CCc1n[nH]c(C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000275067543 212101928 /nfs/dbraw/zinc/10/19/28/212101928.db2.gz AHXMBWQYVPLIHR-GXSJLCMTSA-N 1 0 309.370 1.293 20 5 DDBDRO [NH3+]C[C@H](NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)C1CC1 ZINC000262264418 203244553 /nfs/dbraw/zinc/24/45/53/203244553.db2.gz UWEHJHJZFHERLK-LBPRGKRZSA-N 1 0 315.333 1.248 20 5 DDBDRO CCCc1n[nH]c(C(=O)N[C@H]2CC[C@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000093986715 193334700 /nfs/dbraw/zinc/33/47/00/193334700.db2.gz RZCPNGKNCTYRQV-UWVGGRQHSA-N 1 0 309.370 1.483 20 5 DDBDRO CCOC[C@@H](O)C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000264978422 204319890 /nfs/dbraw/zinc/31/98/90/204319890.db2.gz KATWIHWJTLUKCF-HNNXBMFYSA-N 1 0 309.366 1.114 20 5 DDBDRO COCC[N@@H+]1CC[C@H](NC(=O)c2cc(C)ccc2[N+](=O)[O-])C1 ZINC000266073064 205074215 /nfs/dbraw/zinc/07/42/15/205074215.db2.gz FLUDKRYKWZYYEQ-LBPRGKRZSA-N 1 0 307.350 1.354 20 5 DDBDRO [NH3+]CCCN(Cc1ccccc1)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000336718157 249232748 /nfs/dbraw/zinc/23/27/48/249232748.db2.gz RCNVBJRASJJZNL-UHFFFAOYSA-N 1 0 302.334 1.914 20 5 DDBDRO O=[N+]([O-])c1ccc(CC[N@H+]2CCOC[C@@H]2[C@@H]2CCC[C@H]2O)cc1 ZINC000285020503 218258500 /nfs/dbraw/zinc/25/85/00/218258500.db2.gz ZCFHCPNTCCCPCM-GVDBMIGSSA-N 1 0 320.389 1.999 20 5 DDBDRO C[C@H]1C[C@H](NC(=O)NCc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000340948526 251296866 /nfs/dbraw/zinc/29/68/66/251296866.db2.gz CCDMCSCTGINSIM-WCQYABFASA-N 1 0 306.366 1.877 20 5 DDBDRO COc1cc(C(=O)N(C)[C@@H]2CC[NH2+]C2)cc([N+](=O)[O-])c1OC ZINC000269150893 207276764 /nfs/dbraw/zinc/27/67/64/207276764.db2.gz QWIQPRBOOOQUGK-SNVBAGLBSA-N 1 0 309.322 1.046 20 5 DDBDRO COc1cc(N2C[C@H](C)[N@H+](CCO)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000418996550 532958907 /nfs/dbraw/zinc/95/89/07/532958907.db2.gz FJSNLTQUGGGNER-NWDGAFQWSA-N 1 0 309.366 1.495 20 5 DDBDRO CO[C@@H]1[C@@H](C)[C@H]([NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1(C)C ZINC000295936401 532979096 /nfs/dbraw/zinc/97/90/96/532979096.db2.gz IPFBYSKMJQZSTP-QCZZGDTMSA-N 1 0 321.377 1.843 20 5 DDBDRO O=[N+]([O-])c1cccnc1N1CC[NH+](CC2(O)CCCC2)CC1 ZINC000459507089 285165988 /nfs/dbraw/zinc/16/59/88/285165988.db2.gz KMUSMNXISWIZEN-UHFFFAOYSA-N 1 0 306.366 1.417 20 5 DDBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)[C@H]1CCC[C@H]1O ZINC000352659750 285204255 /nfs/dbraw/zinc/20/42/55/285204255.db2.gz LDZFEUSGPDYADK-DDTOSNHZSA-N 1 0 307.350 1.767 20 5 DDBDRO COC[C@@H]1CCCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000452042393 285267372 /nfs/dbraw/zinc/26/73/72/285267372.db2.gz TZAMINWOYYCISV-ZDUSSCGKSA-N 1 0 307.350 1.695 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000299221371 533215012 /nfs/dbraw/zinc/21/50/12/533215012.db2.gz NGZCCQJLIFHMAS-ZFWWWQNUSA-N 1 0 319.361 1.960 20 5 DDBDRO CN(C)S(=O)(=O)CC[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000289493410 221015979 /nfs/dbraw/zinc/01/59/79/221015979.db2.gz GLCZVGOTRYKJCS-FNORWQNLSA-N 1 0 313.379 1.089 20 5 DDBDRO CO[C@H]1C[C@@H](C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)[N@H+](C)C1 ZINC000331971429 533283933 /nfs/dbraw/zinc/28/39/33/533283933.db2.gz LAHWMCRFOFHVOZ-GJZGRUSLSA-N 1 0 319.361 1.199 20 5 DDBDRO C[C@@H](N[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)[C@H](C)[NH3+] ZINC000423457885 533538237 /nfs/dbraw/zinc/53/82/37/533538237.db2.gz GHIXHQJDIRQJIG-WDMOLILDSA-N 1 0 303.366 1.743 20 5 DDBDRO CNc1ccc(C(=O)N2CCCC[C@@H]2CC[NH3+])cc1[N+](=O)[O-] ZINC000569972726 304388571 /nfs/dbraw/zinc/38/85/71/304388571.db2.gz OJDKOWJTZREMSY-GFCCVEGCSA-N 1 0 306.366 1.980 20 5 DDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1C[C@@H](SC)[C@@H]([NH+](C)C)C1 ZINC000361064039 299797528 /nfs/dbraw/zinc/79/75/28/299797528.db2.gz YSMGWPJZMYDNST-WDEREUQCSA-N 1 0 313.427 1.601 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(C)[C@H]2CC[NH2+]C2)c1C ZINC000071310227 406837558 /nfs/dbraw/zinc/83/75/58/406837558.db2.gz WLEXBKYVHTZGBU-NSHDSACASA-N 1 0 313.379 1.194 20 5 DDBDRO Cc1ccc(C[NH2+]CC(=O)NCc2ccco2)cc1[N+](=O)[O-] ZINC000075757425 406940382 /nfs/dbraw/zinc/94/03/82/406940382.db2.gz VYVFNTXLRGALIY-UHFFFAOYSA-N 1 0 303.318 1.902 20 5 DDBDRO C[NH+]1CCN(CCCNC(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000077309133 406984813 /nfs/dbraw/zinc/98/48/13/406984813.db2.gz IWAVLLCIVSKTOI-UHFFFAOYSA-N 1 0 324.356 1.101 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCCN(CC(F)F)CC2)n1 ZINC000091084859 407176249 /nfs/dbraw/zinc/17/62/49/407176249.db2.gz GYLHQSCPRZBEMK-UHFFFAOYSA-N 1 0 303.313 1.064 20 5 DDBDRO C[N@H+](CCNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)C1CCCCC1 ZINC000123434659 407328816 /nfs/dbraw/zinc/32/88/16/407328816.db2.gz SBOFPTVNUVXXPN-UHFFFAOYSA-N 1 0 322.365 1.690 20 5 DDBDRO CN(CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@@H]1CCOC1 ZINC000106886103 407365138 /nfs/dbraw/zinc/36/51/38/407365138.db2.gz IZBHSCBCPZYZLU-CYBMUJFWSA-N 1 0 305.334 1.205 20 5 DDBDRO C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C[C@@H]1CCCOC1 ZINC000107696849 407378197 /nfs/dbraw/zinc/37/81/97/407378197.db2.gz MGEQTVWHGGWOIJ-LBPRGKRZSA-N 1 0 307.350 1.892 20 5 DDBDRO COc1ccc(C(=O)NC[C@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000108341334 407384727 /nfs/dbraw/zinc/38/47/27/407384727.db2.gz KSSVFQROQOSGLK-LLVKDONJSA-N 1 0 307.350 1.675 20 5 DDBDRO Cn1cc(C[NH2+]CC(C)(C)O)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000111385602 407409610 /nfs/dbraw/zinc/40/96/10/407409610.db2.gz JWAQMXTVSRDWFQ-UHFFFAOYSA-N 1 0 304.350 1.856 20 5 DDBDRO O=[N+]([O-])c1ccc(CCN2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000178495746 407471831 /nfs/dbraw/zinc/47/18/31/407471831.db2.gz RQHGUMCBPVAGQK-INIZCTEOSA-N 1 0 319.405 1.791 20 5 DDBDRO O=[N+]([O-])c1ccccc1CN1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000178500875 407472996 /nfs/dbraw/zinc/47/29/96/407472996.db2.gz TVOZUXVQIITZGK-CQSZACIVSA-N 1 0 305.378 1.749 20 5 DDBDRO Cc1ccc(NCCCNC(=O)/C=C/C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000265802258 407462851 /nfs/dbraw/zinc/46/28/51/407462851.db2.gz KDRNHZCAMUDQFT-GQCTYLIASA-N 1 0 320.393 1.939 20 5 DDBDRO CC[NH+](CC)[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000170812592 407514043 /nfs/dbraw/zinc/51/40/43/407514043.db2.gz CFWSVVYTILGCBC-LBPRGKRZSA-N 1 0 306.366 1.733 20 5 DDBDRO C[C@H]([NH3+])CCNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000178621281 407514718 /nfs/dbraw/zinc/51/47/18/407514718.db2.gz ZLOXINNBRXVUJS-ZETCQYMHSA-N 1 0 316.155 1.824 20 5 DDBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2c([N+](=O)[O-])c(C)nn2C)[C@@H](C)C1 ZINC000265947300 407523201 /nfs/dbraw/zinc/52/32/01/407523201.db2.gz KAYVJKIEIKPNQH-CMPLNLGQSA-N 1 0 323.397 1.439 20 5 DDBDRO C[NH2+][C@@H](C)CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000261738373 407598490 /nfs/dbraw/zinc/59/84/90/407598490.db2.gz MENSDVQXXUXMLT-ZDUSSCGKSA-N 1 0 323.396 1.879 20 5 DDBDRO O=[N+]([O-])c1cccc(F)c1CN1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129458012 407612984 /nfs/dbraw/zinc/61/29/84/407612984.db2.gz QGZRAUNSPQGQBF-CYBMUJFWSA-N 1 0 323.368 1.888 20 5 DDBDRO Cc1cc(NC2CC[NH+](CC(=O)N(C)C)CC2)ccc1[N+](=O)[O-] ZINC000271320552 407631975 /nfs/dbraw/zinc/63/19/75/407631975.db2.gz OKQZXGWVRVWNCH-UHFFFAOYSA-N 1 0 320.393 1.868 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000261885345 407652709 /nfs/dbraw/zinc/65/27/09/407652709.db2.gz AYJYRDPSCSIBFX-ZDUSSCGKSA-N 1 0 319.361 1.609 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H](CO)C1 ZINC000266922689 407678488 /nfs/dbraw/zinc/67/84/88/407678488.db2.gz MIOJDRXESDLHHN-GFCCVEGCSA-N 1 0 307.350 1.546 20 5 DDBDRO Nc1c(C(=O)NCC[C@@H]2CCC[NH2+]C2)cc(F)cc1[N+](=O)[O-] ZINC000152727031 407679114 /nfs/dbraw/zinc/67/91/14/407679114.db2.gz VEXQNRJDYWKTPN-VIFPVBQESA-N 1 0 310.329 1.436 20 5 DDBDRO Cn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(C[NH+](C)C)cc2)n1 ZINC000271428957 407682093 /nfs/dbraw/zinc/68/20/93/407682093.db2.gz RLMDNESVFVOHGY-UHFFFAOYSA-N 1 0 303.322 1.642 20 5 DDBDRO O=C(COc1cccc([N+](=O)[O-])c1)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186531894 407694214 /nfs/dbraw/zinc/69/42/14/407694214.db2.gz XHFVVORDUWXJTF-GFCCVEGCSA-N 1 0 319.361 1.717 20 5 DDBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]C[C@]2(O)CCOC2)c1 ZINC000179020876 407694292 /nfs/dbraw/zinc/69/42/92/407694292.db2.gz MDYUYJKJSAMLPS-CYBMUJFWSA-N 1 0 318.276 1.437 20 5 DDBDRO Cc1cc(C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)c(N)c([N+](=O)[O-])c1 ZINC000115716737 407702874 /nfs/dbraw/zinc/70/28/74/407702874.db2.gz INYNIVYQRYDGIA-GFCCVEGCSA-N 1 0 320.393 1.899 20 5 DDBDRO C[NH+](C)[C@@]1(CNC(=O)c2cccc([N+](=O)[O-])c2)CCSC1 ZINC000267092304 407746703 /nfs/dbraw/zinc/74/67/03/407746703.db2.gz ITXGEQCKIAZORE-CQSZACIVSA-N 1 0 309.391 1.762 20 5 DDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000179259065 407761726 /nfs/dbraw/zinc/76/17/26/407761726.db2.gz QLSVBUGEHUCIQH-ZDUSSCGKSA-N 1 0 323.418 1.991 20 5 DDBDRO COc1cc(OCC(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)ccc1[N+](=O)[O-] ZINC000272266797 407841923 /nfs/dbraw/zinc/84/19/23/407841923.db2.gz NFNATLCEXANPKX-GHMZBOCLSA-N 1 0 323.349 1.178 20 5 DDBDRO C[C@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000237479416 407823233 /nfs/dbraw/zinc/82/32/33/407823233.db2.gz ZXEFDXUFEIVOLP-DTWKUNHWSA-N 1 0 319.408 1.404 20 5 DDBDRO C[NH+]1CCN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC1 ZINC000117333177 407832340 /nfs/dbraw/zinc/83/23/40/407832340.db2.gz KWJJNHAGSRVEHR-UHFFFAOYSA-N 1 0 320.349 1.140 20 5 DDBDRO COC[C@]1(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)CC[NH2+]C1 ZINC000262442164 407836398 /nfs/dbraw/zinc/83/63/98/407836398.db2.gz GXCVFWBKJDWXOO-ABAIWWIYSA-N 1 0 307.350 1.398 20 5 DDBDRO [NH3+]C[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000237997126 407866768 /nfs/dbraw/zinc/86/67/68/407866768.db2.gz DLPLUXDXTNCXMI-BDAKNGLRSA-N 1 0 319.408 1.452 20 5 DDBDRO COCCC[N@H+](C)CCNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000268051513 407869158 /nfs/dbraw/zinc/86/91/58/407869158.db2.gz QBFWICJFOFXSJG-UHFFFAOYSA-N 1 0 323.393 1.612 20 5 DDBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2C[C@@H](O)C[C@H]2CO)o1 ZINC000187668838 407878051 /nfs/dbraw/zinc/87/80/51/407878051.db2.gz PLDGINFVUMTOQM-RYUDHWBXSA-N 1 0 318.329 1.782 20 5 DDBDRO O=C(C[NH2+]CC1CC1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000262677010 407896962 /nfs/dbraw/zinc/89/69/62/407896962.db2.gz SVFHURZQLQJTAA-LBPRGKRZSA-N 1 0 319.365 1.002 20 5 DDBDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000180525348 407897633 /nfs/dbraw/zinc/89/76/33/407897633.db2.gz DZCPSLWURQJLGZ-JTQLQIEISA-N 1 0 307.354 1.176 20 5 DDBDRO COC(=O)c1cc(C(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000272501713 407949003 /nfs/dbraw/zinc/94/90/03/407949003.db2.gz DUIFYYWDEUADPF-UWVGGRQHSA-N 1 0 321.333 1.204 20 5 DDBDRO CC[N@@H+]1CCCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000118826840 407949395 /nfs/dbraw/zinc/94/93/95/407949395.db2.gz DVNIPWIDGZWZAZ-UHFFFAOYSA-N 1 0 320.393 1.951 20 5 DDBDRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000262828841 407949543 /nfs/dbraw/zinc/94/95/43/407949543.db2.gz QDVWBISELMXKAM-VXGBXAGGSA-N 1 0 306.366 1.511 20 5 DDBDRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000262828839 407950921 /nfs/dbraw/zinc/95/09/21/407950921.db2.gz QDVWBISELMXKAM-RYUDHWBXSA-N 1 0 306.366 1.511 20 5 DDBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)NC1CC[NH2+]CC1 ZINC000262759611 407920166 /nfs/dbraw/zinc/92/01/66/407920166.db2.gz QXKIPNOSZREBAY-UHFFFAOYSA-N 1 0 319.770 1.279 20 5 DDBDRO CCOc1ccc(C(=O)N2CC[NH2+][C@@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000262782440 407927896 /nfs/dbraw/zinc/92/78/96/407927896.db2.gz LSRKCOPXCLNIDQ-WDEREUQCSA-N 1 0 307.350 1.816 20 5 DDBDRO C[C@@]1(CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CCC[NH2+]C1 ZINC000273065415 408040201 /nfs/dbraw/zinc/04/02/01/408040201.db2.gz ZKHCDUPIWUNJOB-CQSZACIVSA-N 1 0 322.321 1.623 20 5 DDBDRO COC(=O)CC[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000154273137 408007590 /nfs/dbraw/zinc/00/75/90/408007590.db2.gz XXGDULIAXUFTMA-CQSZACIVSA-N 1 0 310.350 1.902 20 5 DDBDRO COc1ccc(NC(=O)NC[C@@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000272865605 408014637 /nfs/dbraw/zinc/01/46/37/408014637.db2.gz SVGSUJZWFBCGHL-NSHDSACASA-N 1 0 308.338 1.819 20 5 DDBDRO Cc1cc(N2CC[C@@H](C(N)=O)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000272893472 408015676 /nfs/dbraw/zinc/01/56/76/408015676.db2.gz YDMBTVZYGUESJK-SNVBAGLBSA-N 1 0 300.318 1.763 20 5 DDBDRO CC[C@H]1CN(c2ccc([N+](=O)[O-])c(C)n2)CC[N@@H+]1C[C@H](C)O ZINC000268479686 408065217 /nfs/dbraw/zinc/06/52/17/408065217.db2.gz LCRLUWVUTSKYIN-AAEUAGOBSA-N 1 0 308.382 1.580 20 5 DDBDRO C[C@@H]1CCC[C@H](CO)[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182220767 408099021 /nfs/dbraw/zinc/09/90/21/408099021.db2.gz DQGXXAUHODJIDV-MCIONIFRSA-N 1 0 324.377 1.570 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000182240993 408104832 /nfs/dbraw/zinc/10/48/32/408104832.db2.gz USQXRHZWBVNUCK-KGLIPLIRSA-N 1 0 321.377 1.115 20 5 DDBDRO C[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])CC1(CO)CC1 ZINC000190009697 408145029 /nfs/dbraw/zinc/14/50/29/408145029.db2.gz AHZFOKCVOXAIOA-LBPRGKRZSA-N 1 0 310.350 1.039 20 5 DDBDRO C[C@@H](O)[C@@H]1CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000182492231 408179088 /nfs/dbraw/zinc/17/90/88/408179088.db2.gz LZPBWQMQNGGYDP-UPJWGTAASA-N 1 0 310.350 1.037 20 5 DDBDRO CCCc1n[nH]c(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000151201725 408274583 /nfs/dbraw/zinc/27/45/83/408274583.db2.gz PPQHYZSTGZVYKW-SNVBAGLBSA-N 1 0 309.370 1.437 20 5 DDBDRO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000246756425 408333118 /nfs/dbraw/zinc/33/31/18/408333118.db2.gz BPZHPKOFDGUVHB-IUODEOHRSA-N 1 0 305.378 1.982 20 5 DDBDRO COc1cc(C[NH2+]CCOCC(F)F)c([N+](=O)[O-])cc1OC ZINC000190898760 408338382 /nfs/dbraw/zinc/33/83/82/408338382.db2.gz IQSPOYPVDBVOBE-UHFFFAOYSA-N 1 0 320.292 1.983 20 5 DDBDRO C[C@H](O)[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000183202354 408351846 /nfs/dbraw/zinc/35/18/46/408351846.db2.gz UVHSEDUHHAFEIX-QWRGUYRKSA-N 1 0 308.334 1.664 20 5 DDBDRO C[C@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)[C@@H]1CCCO1 ZINC000183187173 408346294 /nfs/dbraw/zinc/34/62/94/408346294.db2.gz PDOQNCGMGYLTPF-GLQYFDAESA-N 1 0 319.361 1.857 20 5 DDBDRO O=C(N[C@H]1CC[NH2+]C1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000165855149 162163547 /nfs/dbraw/zinc/16/35/47/162163547.db2.gz UENSJKSGXAIFDZ-VIFPVBQESA-N 1 0 314.139 1.449 20 5 DDBDRO C[N@@H+]1CCC[C@@H]1CCN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000246889178 408361690 /nfs/dbraw/zinc/36/16/90/408361690.db2.gz IUDPJRCCILMRBC-ZIAGYGMSSA-N 1 0 319.409 1.960 20 5 DDBDRO COC[C@@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000183485968 408425156 /nfs/dbraw/zinc/42/51/56/408425156.db2.gz NXTMXHZJXODITP-CHWSQXEVSA-N 1 0 310.350 1.349 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CCN1CCC([NH+]2CCCC2)CC1 ZINC000159754537 408429075 /nfs/dbraw/zinc/42/90/75/408429075.db2.gz QVHYLVVJKWBQHQ-UHFFFAOYSA-N 1 0 320.393 1.317 20 5 DDBDRO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000177001273 408495576 /nfs/dbraw/zinc/49/55/76/408495576.db2.gz VOLLBBZBLOSHEZ-GFCCVEGCSA-N 1 0 309.370 1.042 20 5 DDBDRO COCC[N@@H+]1CC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000264538364 408526513 /nfs/dbraw/zinc/52/65/13/408526513.db2.gz AGVMVPBCJHUVEQ-GFCCVEGCSA-N 1 0 308.338 1.437 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000160147377 408460983 /nfs/dbraw/zinc/46/09/83/408460983.db2.gz WTXOTIPJSMOTRX-LBPRGKRZSA-N 1 0 317.349 1.361 20 5 DDBDRO COc1cc(C[N@@H+]2C[C@@H](C)[C@H](CO)C2)c([N+](=O)[O-])cc1OC ZINC000191724891 408477169 /nfs/dbraw/zinc/47/71/69/408477169.db2.gz PFSWXKMPMJJOFV-PWSUYJOCSA-N 1 0 310.350 1.672 20 5 DDBDRO Cc1cc(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c(N)c([N+](=O)[O-])c1 ZINC000248618629 408601613 /nfs/dbraw/zinc/60/16/13/408601613.db2.gz MMEPNFUTSRUTHG-ZMLRMANQSA-N 1 0 304.350 1.295 20 5 DDBDRO Cc1c(NC(=O)CC[N@H+]2CC[C@@H]([C@H](C)O)C2)cccc1[N+](=O)[O-] ZINC000248529511 408582065 /nfs/dbraw/zinc/58/20/65/408582065.db2.gz DSAWPCPXUKTZTM-QWHCGFSZSA-N 1 0 321.377 1.935 20 5 DDBDRO COc1cccc(C(=O)N2CCO[C@H](C[NH+](C)C)C2)c1[N+](=O)[O-] ZINC000192584885 408613286 /nfs/dbraw/zinc/61/32/86/408613286.db2.gz WAEPTQYAYLERTD-LLVKDONJSA-N 1 0 323.349 1.006 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCCN1CCCOCC1 ZINC000192619679 408619103 /nfs/dbraw/zinc/61/91/03/408619103.db2.gz ABCDTGJNYQCLON-UHFFFAOYSA-N 1 0 307.350 1.355 20 5 DDBDRO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H](O)COC[C@H]1CCCO1 ZINC000248784317 408632963 /nfs/dbraw/zinc/63/29/63/408632963.db2.gz XLFIXPBKJDHMEO-HUUCEWRRSA-N 1 0 324.377 1.583 20 5 DDBDRO C[C@@H]1[C@H](C)[S@](=O)CCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000265658476 408733202 /nfs/dbraw/zinc/73/32/02/408733202.db2.gz WTMFKTKUHAYWBB-SMDDFHAHSA-N 1 0 312.391 1.815 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000162799180 408734941 /nfs/dbraw/zinc/73/49/41/408734941.db2.gz ZIPOCKJQFDIFHY-WDEREUQCSA-N 1 0 323.349 1.557 20 5 DDBDRO O=[N+]([O-])c1cccnc1NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000265524910 408683233 /nfs/dbraw/zinc/68/32/33/408683233.db2.gz SKPPPMYWXVDXQK-LBPRGKRZSA-N 1 0 306.366 1.903 20 5 DDBDRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000185309818 408794230 /nfs/dbraw/zinc/79/42/30/408794230.db2.gz MXOZXUWPJWJYAP-SKDRFNHKSA-N 1 0 307.354 1.031 20 5 DDBDRO COc1ccc(OCC[N@@H+]2CC[C@@H](O)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000249583228 408746391 /nfs/dbraw/zinc/74/63/91/408746391.db2.gz RYCHDWKQRXKZHQ-BXUZGUMPSA-N 1 0 310.350 1.685 20 5 DDBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000249699037 408756930 /nfs/dbraw/zinc/75/69/30/408756930.db2.gz WMUQOSNHKKFNMV-CYBMUJFWSA-N 1 0 307.350 1.574 20 5 DDBDRO CCCc1n[nH]c(C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1[N+](=O)[O-] ZINC000185128309 408764990 /nfs/dbraw/zinc/76/49/90/408764990.db2.gz QNRDFNIVVJHSNI-AEJSXWLSSA-N 1 0 307.354 1.080 20 5 DDBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000276375754 408844657 /nfs/dbraw/zinc/84/46/57/408844657.db2.gz PIJROQASCMJOGB-NSHDSACASA-N 1 0 320.393 1.979 20 5 DDBDRO CC[C@H](CO)[NH+]1CCN(c2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC000276421483 408853714 /nfs/dbraw/zinc/85/37/14/408853714.db2.gz IQKMDHXFORTLFB-GFCCVEGCSA-N 1 0 320.393 1.456 20 5 DDBDRO CS[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N)C[C@H]1[NH+](C)C ZINC000276421886 408855264 /nfs/dbraw/zinc/85/52/64/408855264.db2.gz XLIJFGYGNFCMGS-CHWSQXEVSA-N 1 0 324.406 1.295 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000281965747 408962774 /nfs/dbraw/zinc/96/27/74/408962774.db2.gz NKHUZRNRTMOKAZ-LBPRGKRZSA-N 1 0 309.370 1.077 20 5 DDBDRO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000286377212 408972154 /nfs/dbraw/zinc/97/21/54/408972154.db2.gz IEROARFDHHPCAY-NSHDSACASA-N 1 0 307.354 1.408 20 5 DDBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000287309708 409017342 /nfs/dbraw/zinc/01/73/42/409017342.db2.gz UQXVOSVOEOHPIQ-SMDDNHRTSA-N 1 0 318.377 1.876 20 5 DDBDRO C[N@@H+]1CCC[C@H]1C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278121958 409069472 /nfs/dbraw/zinc/06/94/72/409069472.db2.gz LSYJNICKOFVECU-LBPRGKRZSA-N 1 0 303.322 1.182 20 5 DDBDRO CCOCC(C)(C)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000293240632 409074111 /nfs/dbraw/zinc/07/41/11/409074111.db2.gz LGRGHXKOTHCZRU-LBPRGKRZSA-N 1 0 312.366 1.739 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cc([C@H]2CC[NH2+]C2)[nH]n1 ZINC000279075344 409144551 /nfs/dbraw/zinc/14/45/51/409144551.db2.gz UNINTTOCXAQXFB-JTQLQIEISA-N 1 0 315.333 1.956 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H](C)C[NH+](C)C ZINC000293709411 409166139 /nfs/dbraw/zinc/16/61/39/409166139.db2.gz JAAFIDNGJPADGR-LLVKDONJSA-N 1 0 309.366 1.921 20 5 DDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000289234572 409236522 /nfs/dbraw/zinc/23/65/22/409236522.db2.gz MIZLGHXFZLJUGO-HNNXBMFYSA-N 1 0 304.350 1.393 20 5 DDBDRO CC(C)[C@](C)([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000289356418 409253632 /nfs/dbraw/zinc/25/36/32/409253632.db2.gz NQPWYWBVMPDAAG-HNNXBMFYSA-N 1 0 322.365 1.047 20 5 DDBDRO CN(C)c1cc(F)c(C(=O)NCC[N@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000294780844 409303546 /nfs/dbraw/zinc/30/35/46/409303546.db2.gz GUAMNCUVWINMPS-UHFFFAOYSA-N 1 0 324.356 1.624 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000295498736 409317279 /nfs/dbraw/zinc/31/72/79/409317279.db2.gz PBGBMBXMUBAYGJ-CYBMUJFWSA-N 1 0 321.377 1.480 20 5 DDBDRO O=C(CN1CC[C@@]2(CC[NH2+]C2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000262562393 163850054 /nfs/dbraw/zinc/85/00/54/163850054.db2.gz VUPGCDXWQRCTFE-OAHLLOKOSA-N 1 0 304.350 1.219 20 5 DDBDRO Cc1cc(S(=O)(=O)NCC[C@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000262773671 163877412 /nfs/dbraw/zinc/87/74/12/163877412.db2.gz WLHAXGDVCKTSGG-LLVKDONJSA-N 1 0 313.379 1.181 20 5 DDBDRO Nc1c(C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)cccc1[N+](=O)[O-] ZINC000290259058 409339455 /nfs/dbraw/zinc/33/94/55/409339455.db2.gz XIWQVOYPOBFNSN-LBPRGKRZSA-N 1 0 318.377 1.639 20 5 DDBDRO C[N@@H+]1CC[C@H]2OCCN(c3ncc([N+](=O)[O-])cc3Cl)[C@H]2C1 ZINC000284571799 409351514 /nfs/dbraw/zinc/35/15/14/409351514.db2.gz OKWSUCKTVFRBON-NWDGAFQWSA-N 1 0 312.757 1.553 20 5 DDBDRO C[C@@H](CCC[NH3+])NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000295313023 409427031 /nfs/dbraw/zinc/42/70/31/409427031.db2.gz WDUKCNWVCAVBEX-NSHDSACASA-N 1 0 317.349 1.638 20 5 DDBDRO O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)c1cccc([N+](=O)[O-])c1 ZINC000295389566 409461510 /nfs/dbraw/zinc/46/15/10/409461510.db2.gz HMWSHXVDZWYLHV-CYBMUJFWSA-N 1 0 307.350 1.171 20 5 DDBDRO Cc1noc([C@@H]2CCCCN2CCn2cc([N+](=O)[O-])cn2)n1 ZINC000285514905 409475350 /nfs/dbraw/zinc/47/53/50/409475350.db2.gz DOMXABYFMZXYGZ-LBPRGKRZSA-N 1 0 306.326 1.710 20 5 DDBDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])nn1C ZINC000356725046 409551121 /nfs/dbraw/zinc/55/11/21/409551121.db2.gz DJNSDUTWTRTTSK-LLVKDONJSA-N 1 0 309.370 1.179 20 5 DDBDRO Cc1ccc([C@@H](C)NC(=O)CCOC2C[NH2+]C2)cc1[N+](=O)[O-] ZINC000349001642 409639699 /nfs/dbraw/zinc/63/96/99/409639699.db2.gz OIBSPBAIOHTFRC-LLVKDONJSA-N 1 0 307.350 1.459 20 5 DDBDRO Cn1cnnc1C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000331505196 409579468 /nfs/dbraw/zinc/57/94/68/409579468.db2.gz BSGYUCODAZREGN-GHMZBOCLSA-N 1 0 305.342 1.193 20 5 DDBDRO CC[N@@H+](Cc1cccc(F)c1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000304302908 409598945 /nfs/dbraw/zinc/59/89/45/409598945.db2.gz IQZOGWMHRGYCBU-OAHLLOKOSA-N 1 0 322.340 1.813 20 5 DDBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000331533983 409611892 /nfs/dbraw/zinc/61/18/92/409611892.db2.gz POWVGFFLXBATOO-ZANVPECISA-N 1 0 307.325 1.946 20 5 DDBDRO COc1ccc(C(=O)N(CC[NH+](C)C)C2CC2)cc1[N+](=O)[O-] ZINC000356890534 409693402 /nfs/dbraw/zinc/69/34/02/409693402.db2.gz DGXJSXJJWANDPF-UHFFFAOYSA-N 1 0 307.350 1.770 20 5 DDBDRO Cc1nn(CCC(=O)N2CC[N@@H+](C)[C@H](C)[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000356835048 409647929 /nfs/dbraw/zinc/64/79/29/409647929.db2.gz BFTQUMIKABYBSH-NEPJUHHUSA-N 1 0 323.397 1.349 20 5 DDBDRO COc1cc(CN2CC[C@H]3C[NH2+]C[C@H]3C2)c([N+](=O)[O-])cc1OC ZINC000357098422 409872351 /nfs/dbraw/zinc/87/23/51/409872351.db2.gz BGCBEDMASDXYOH-AAEUAGOBSA-N 1 0 321.377 1.653 20 5 DDBDRO C[C@H](C[NH+](C)C)NC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000349617353 409885119 /nfs/dbraw/zinc/88/51/19/409885119.db2.gz PBGUJTLPGKFMSM-LLVKDONJSA-N 1 0 309.370 1.256 20 5 DDBDRO C[C@@H](CNc1nccc(C(N)=O)c1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC000357308547 409967218 /nfs/dbraw/zinc/96/72/18/409967218.db2.gz WNYSRUZWRVXNEZ-QWRGUYRKSA-N 1 0 321.381 1.621 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)NC[C@H](C)[NH+](C)C ZINC000297884288 410037126 /nfs/dbraw/zinc/03/71/26/410037126.db2.gz NPPOTOQNTXNLQS-NSHDSACASA-N 1 0 322.365 1.216 20 5 DDBDRO CN1CCO[C@H](c2nc(-c3ccc(N)c([N+](=O)[O-])c3)no2)C1 ZINC000351182861 410043269 /nfs/dbraw/zinc/04/32/69/410043269.db2.gz DNHGVSAVUJILJE-NSHDSACASA-N 1 0 305.294 1.230 20 5 DDBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000332228480 409994856 /nfs/dbraw/zinc/99/48/56/409994856.db2.gz LIEXJGVTLDXTAY-WDEREUQCSA-N 1 0 303.366 1.996 20 5 DDBDRO CCOc1ccc(C(=O)NCC[N@H+]2CC=CCC2)cc1[N+](=O)[O-] ZINC000357601771 410125915 /nfs/dbraw/zinc/12/59/15/410125915.db2.gz RQZABKWMYFTRBQ-UHFFFAOYSA-N 1 0 319.361 1.985 20 5 DDBDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000351756075 410210160 /nfs/dbraw/zinc/21/01/60/410210160.db2.gz ONJCHFNHGKQRAO-STQMWFEESA-N 1 0 320.393 1.983 20 5 DDBDRO CC(C)C[C@H](CNc1ncc([N+](=O)[O-])cc1C(N)=O)[NH+](C)C ZINC000298456669 410238479 /nfs/dbraw/zinc/23/84/79/410238479.db2.gz WEXJKFSGFFHWKQ-SNVBAGLBSA-N 1 0 309.370 1.477 20 5 DDBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000343199628 410229298 /nfs/dbraw/zinc/22/92/98/410229298.db2.gz FGOXMKVNQWHRGP-UTUOFQBUSA-N 1 0 321.381 1.795 20 5 DDBDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000357916701 410323905 /nfs/dbraw/zinc/32/39/05/410323905.db2.gz WSEVJZYYJYOOAN-GFCCVEGCSA-N 1 0 323.397 1.713 20 5 DDBDRO C[C@H]1CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H](C)[NH+]1C ZINC000339618126 410335317 /nfs/dbraw/zinc/33/53/17/410335317.db2.gz BJBBLKOFJMXOHP-QWRGUYRKSA-N 1 0 306.366 1.218 20 5 DDBDRO C[C@@H]([NH3+])[C@H]1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000351854867 410291874 /nfs/dbraw/zinc/29/18/74/410291874.db2.gz SADPEAIPIWQGCL-PWSUYJOCSA-N 1 0 317.349 1.814 20 5 DDBDRO COc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000347011791 410312577 /nfs/dbraw/zinc/31/25/77/410312577.db2.gz MLGILANBLTWHOU-CYBMUJFWSA-N 1 0 319.361 1.912 20 5 DDBDRO COc1ccc(CNC(=O)N2CCC[N@H+](C)CC2)cc1[N+](=O)[O-] ZINC000298924140 410452595 /nfs/dbraw/zinc/45/25/95/410452595.db2.gz JLSTZINWACZGLT-UHFFFAOYSA-N 1 0 322.365 1.451 20 5 DDBDRO C[NH+](C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])[nH]1)c1ccccc1 ZINC000298853776 410423207 /nfs/dbraw/zinc/42/32/07/410423207.db2.gz NHMQVEUCIVGFKI-ZDUSSCGKSA-N 1 0 302.334 1.956 20 5 DDBDRO CCC[NH+]1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000343404861 410426628 /nfs/dbraw/zinc/42/66/28/410426628.db2.gz RWYXQICFJVYBKO-UHFFFAOYSA-N 1 0 306.366 1.561 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H](c2cccnc2)C2CC2)c1 ZINC000347358335 410492646 /nfs/dbraw/zinc/49/26/46/410492646.db2.gz JWNLKVMLVREKCJ-CABCVRRESA-N 1 0 317.349 1.288 20 5 DDBDRO C[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CCCOC1 ZINC000352186866 410533234 /nfs/dbraw/zinc/53/32/34/410533234.db2.gz OJQDLPLIFVPMMG-UONOGXRCSA-N 1 0 310.350 1.445 20 5 DDBDRO O=[N+]([O-])c1cccc2ncnc(N3CC[C@H]([NH+]4CC=CC4)C3)c21 ZINC000347403043 410524150 /nfs/dbraw/zinc/52/41/50/410524150.db2.gz HYEADBHZLJTZLY-LBPRGKRZSA-N 1 0 311.345 1.989 20 5 DDBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000343580961 410548742 /nfs/dbraw/zinc/54/87/42/410548742.db2.gz XYYLRHIMFQBWQE-NSHDSACASA-N 1 0 324.356 1.920 20 5 DDBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000343595921 410560308 /nfs/dbraw/zinc/56/03/08/410560308.db2.gz HSOGKQHRPSGMBC-LBPRGKRZSA-N 1 0 309.370 1.090 20 5 DDBDRO COC(=O)[C@@H]1CCCC[C@]1(C)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000343668657 410607037 /nfs/dbraw/zinc/60/70/37/410607037.db2.gz ONPCRWDZCPUQBO-JSGCOSHPSA-N 1 0 310.354 1.503 20 5 DDBDRO C[C@H]1[C@H](NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CCC[N@@H+]1C ZINC000355924339 410735891 /nfs/dbraw/zinc/73/58/91/410735891.db2.gz ZBDOFTHHXBSYOZ-JOYOIKCWSA-N 1 0 317.349 1.684 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@H]2CCCC[C@@H]2OC(F)F)n1 ZINC000337403910 410759751 /nfs/dbraw/zinc/75/97/51/410759751.db2.gz KYHMKVJBZUVHEM-UWVGGRQHSA-N 1 0 304.297 1.931 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH+]2CC3(C2)CCOCC3)c1 ZINC000353033085 410749647 /nfs/dbraw/zinc/74/96/47/410749647.db2.gz XSPJXHSSAUCBOJ-CQSZACIVSA-N 1 0 322.361 1.447 20 5 DDBDRO CC[N@H+](C)C[C@H]1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)C1 ZINC000301890183 410824683 /nfs/dbraw/zinc/82/46/83/410824683.db2.gz TWUVLKJBCHORFP-LLVKDONJSA-N 1 0 304.354 1.416 20 5 DDBDRO COc1cc(N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)c(F)cc1[N+](=O)[O-] ZINC000301943198 410832192 /nfs/dbraw/zinc/83/21/92/410832192.db2.gz XYMNQXUWVUXUFE-TZMCWYRMSA-N 1 0 311.313 1.262 20 5 DDBDRO C[C@H](O)C[NH+]1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000302434189 410845274 /nfs/dbraw/zinc/84/52/74/410845274.db2.gz PFKPYSOMJBYCGG-LBPRGKRZSA-N 1 0 316.361 1.646 20 5 DDBDRO CN(CC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000348211746 410856450 /nfs/dbraw/zinc/85/64/50/410856450.db2.gz FXNIZQZDTQYCEX-CYBMUJFWSA-N 1 0 318.377 1.702 20 5 DDBDRO Cn1nc([N+](=O)[O-])cc1C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000356145606 410860319 /nfs/dbraw/zinc/86/03/19/410860319.db2.gz AEQUNZQVRLQLQY-ZDUSSCGKSA-N 1 0 323.397 1.569 20 5 DDBDRO Cc1c(NC(=O)CC[NH2+][C@@H](CO)C(C)C)cccc1[N+](=O)[O-] ZINC000359817753 410895714 /nfs/dbraw/zinc/89/57/14/410895714.db2.gz YLBNQBXPNNIGIV-ZDUSSCGKSA-N 1 0 309.366 1.838 20 5 DDBDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CCn3ccc([N+](=O)[O-])n3)[C@@H]2C1 ZINC000344066903 410933249 /nfs/dbraw/zinc/93/32/49/410933249.db2.gz ICCMZOJMXBKMPK-MJBXVCDLSA-N 1 0 321.381 1.028 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000353435266 410983562 /nfs/dbraw/zinc/98/35/62/410983562.db2.gz FFSYAIUEVIKCLU-HNNXBMFYSA-N 1 0 307.350 1.609 20 5 DDBDRO COCc1cc([N+](=O)[O-])ccc1NCCN1CCOC[C@@H]1C ZINC000353443308 410988764 /nfs/dbraw/zinc/98/87/64/410988764.db2.gz WOUNCYSENWKXNQ-LBPRGKRZSA-N 1 0 309.366 1.874 20 5 DDBDRO COC(=O)COc1ccc(C[NH2+]C[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000353760808 411124248 /nfs/dbraw/zinc/12/42/48/411124248.db2.gz RDNDWJMDEMUQAU-LBPRGKRZSA-N 1 0 324.333 1.415 20 5 DDBDRO C[NH+]1CCC(CNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000129004834 196011731 /nfs/dbraw/zinc/01/17/31/196011731.db2.gz DKCGPSWXUYRPLC-UHFFFAOYSA-N 1 0 317.349 1.543 20 5 DDBDRO CN1CCC([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000580114547 422891857 /nfs/dbraw/zinc/89/18/57/422891857.db2.gz ZUGSGVGIXRIJQM-CQSZACIVSA-N 1 0 309.366 1.018 20 5 DDBDRO O=C(NC[C@H]1CCC[NH2+]C1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000129818942 196078465 /nfs/dbraw/zinc/07/84/65/196078465.db2.gz DISBGAHEELPXIK-VIFPVBQESA-N 1 0 303.322 1.201 20 5 DDBDRO Cc1c(CNC(=O)NC[C@H]2CCC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000418083678 225576026 /nfs/dbraw/zinc/57/60/26/225576026.db2.gz SVRWVSUWFUBLMY-LBPRGKRZSA-N 1 0 306.366 1.702 20 5 DDBDRO C[C@@H]1[C@H](C)[NH2+]CCN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000420308575 226459058 /nfs/dbraw/zinc/45/90/58/226459058.db2.gz KOPUZIOJRBVIPJ-NWDGAFQWSA-N 1 0 306.366 1.606 20 5 DDBDRO CC(C)N1CCO[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000366737319 418510827 /nfs/dbraw/zinc/51/08/27/418510827.db2.gz GRXHWOBFYZVVGM-CYBMUJFWSA-N 1 0 309.322 1.348 20 5 DDBDRO Cn1nc([N+](=O)[O-])cc1C(=O)NCC[N@H+](C)C1CCCCC1 ZINC000360575213 418468716 /nfs/dbraw/zinc/46/87/16/418468716.db2.gz WEQNDZOXCVSBJJ-UHFFFAOYSA-N 1 0 309.370 1.323 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)n1 ZINC000191678694 222107512 /nfs/dbraw/zinc/10/75/12/222107512.db2.gz WECAAVLCWGPBQZ-RYUDHWBXSA-N 1 0 321.381 1.368 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)COc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000375057011 418598121 /nfs/dbraw/zinc/59/81/21/418598121.db2.gz DPTNQYBJAPRMEX-IUODEOHRSA-N 1 0 319.361 1.526 20 5 DDBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000367839364 418644102 /nfs/dbraw/zinc/64/41/02/418644102.db2.gz AMSJYLOTNJUMMD-PWSUYJOCSA-N 1 0 319.365 1.271 20 5 DDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[C@@H]([NH2+]Cc2ccccc2)C1 ZINC000361342567 418630548 /nfs/dbraw/zinc/63/05/48/418630548.db2.gz NLRPSRQTIDVRPF-RBSFLKMASA-N 1 0 303.362 1.432 20 5 DDBDRO CN(C1(C[NH3+])CCC1)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000385326081 418736155 /nfs/dbraw/zinc/73/61/55/418736155.db2.gz OZFYCBIAZAAQKF-UHFFFAOYSA-N 1 0 317.342 1.236 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1CN1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000371299474 418776243 /nfs/dbraw/zinc/77/62/43/418776243.db2.gz HFRMQDFDMVICMI-MBNYWOFBSA-N 1 0 323.397 1.012 20 5 DDBDRO Cc1cc(C(=O)N2CCC[N@@H+]([C@H](C)CO)CC2)cc([N+](=O)[O-])c1 ZINC000364922267 418822816 /nfs/dbraw/zinc/82/28/16/418822816.db2.gz MQEUVYRMDRSAOZ-CYBMUJFWSA-N 1 0 321.377 1.432 20 5 DDBDRO CC(=O)c1ccc(N2CCC[N@@H+]([C@H](C)CO)CC2)c([N+](=O)[O-])c1 ZINC000364954051 418828090 /nfs/dbraw/zinc/82/80/90/418828090.db2.gz JEKBGCMVJPMVNY-GFCCVEGCSA-N 1 0 321.377 1.690 20 5 DDBDRO Cn1ccnc1[C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000365649777 418889195 /nfs/dbraw/zinc/88/91/95/418889195.db2.gz PKJXJYSQFHYCOI-GFCCVEGCSA-N 1 0 304.354 1.404 20 5 DDBDRO CC[C@](C)([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C(N)=O ZINC000411391393 418899191 /nfs/dbraw/zinc/89/91/91/418899191.db2.gz OEGHDDVSDWGMDH-AWEZNQCLSA-N 1 0 308.338 1.167 20 5 DDBDRO Cc1ccn(C2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)n1 ZINC000365161509 418841030 /nfs/dbraw/zinc/84/10/30/418841030.db2.gz VHYKQHVHFCTMIS-UHFFFAOYSA-N 1 0 304.354 1.633 20 5 DDBDRO C[C@@H]1C[C@@H](C)N(C(=O)CCn2cc([N+](=O)[O-])cn2)C[C@H]1C[NH3+] ZINC000424070274 228224746 /nfs/dbraw/zinc/22/47/46/228224746.db2.gz JSEBPXKJNJQEMZ-IJLUTSLNSA-N 1 0 309.370 1.013 20 5 DDBDRO CC(=O)N[C@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000420990901 419429592 /nfs/dbraw/zinc/42/95/92/419429592.db2.gz VHKSAUJAGDGPQO-ZDUSSCGKSA-N 1 0 320.349 1.134 20 5 DDBDRO C[C@@H]1CC[C@@H](O)C[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000421002928 419438548 /nfs/dbraw/zinc/43/85/48/419438548.db2.gz BYHULHAPJANSOQ-BNOWGMLFSA-N 1 0 310.350 1.180 20 5 DDBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000421009413 419445320 /nfs/dbraw/zinc/44/53/20/419445320.db2.gz QAXQJPDJGVWYRK-WFASDCNBSA-N 1 0 320.393 1.948 20 5 DDBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1CC[NH2+]C1 ZINC000417986263 419448061 /nfs/dbraw/zinc/44/80/61/419448061.db2.gz IBDUZOFLAMLTHC-LLVKDONJSA-N 1 0 312.757 1.452 20 5 DDBDRO CC(C)([NH3+])CNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000418082198 419518053 /nfs/dbraw/zinc/51/80/53/419518053.db2.gz IMXQQHWSHNJNEA-UHFFFAOYSA-N 1 0 306.326 1.008 20 5 DDBDRO Cc1nnc([C@@H]2CC[N@H+](CCOc3cccc([N+](=O)[O-])c3)C2)[nH]1 ZINC000412029358 419574720 /nfs/dbraw/zinc/57/47/20/419574720.db2.gz OJHPQCWEVCCEIK-GFCCVEGCSA-N 1 0 317.349 1.890 20 5 DDBDRO C[NH2+]CCCNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000418281777 419671185 /nfs/dbraw/zinc/67/11/85/419671185.db2.gz FLTYSDHHPROQJE-UHFFFAOYSA-N 1 0 306.366 1.878 20 5 DDBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000421709141 419692687 /nfs/dbraw/zinc/69/26/87/419692687.db2.gz CRKWUVXYONEQRB-CYBMUJFWSA-N 1 0 309.341 1.829 20 5 DDBDRO COCC[N@@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])c(C)cc2C)C1 ZINC000421767823 419717197 /nfs/dbraw/zinc/71/71/97/419717197.db2.gz MEMZHEUUMDZHHM-CYBMUJFWSA-N 1 0 321.377 1.662 20 5 DDBDRO CC[C@H]1CN(CCNC(=O)c2c(C)cccc2[N+](=O)[O-])CCO1 ZINC000428071882 419807651 /nfs/dbraw/zinc/80/76/51/419807651.db2.gz RCQASXXSOLAVAV-ZDUSSCGKSA-N 1 0 321.377 1.744 20 5 DDBDRO C[C@H]1COCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000432357454 229098362 /nfs/dbraw/zinc/09/83/62/229098362.db2.gz MHQSGRAFIUVTPA-HZMBPMFUSA-N 1 0 308.334 1.976 20 5 DDBDRO C[C@@H]1COCC[C@@H]1[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000433165324 229166348 /nfs/dbraw/zinc/16/63/48/229166348.db2.gz BREPVVQYNSNVDI-RISCZKNCSA-N 1 0 307.350 1.938 20 5 DDBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000435245546 229368348 /nfs/dbraw/zinc/36/83/48/229368348.db2.gz CGTGXJPJJJYXQV-ZDUSSCGKSA-N 1 0 318.377 1.750 20 5 DDBDRO C[C@H](NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)[C@@H]1CCC[NH2+]C1 ZINC000428983377 419956267 /nfs/dbraw/zinc/95/62/67/419956267.db2.gz VGQZJOBNCGDUMF-WDEREUQCSA-N 1 0 309.370 1.031 20 5 DDBDRO COC[C@]1(CN[C@H](C)Cc2ccccc2[N+](=O)[O-])CCC[NH2+]1 ZINC000423408909 420042510 /nfs/dbraw/zinc/04/25/10/420042510.db2.gz BBTVIQQMTUVADC-CZUORRHYSA-N 1 0 307.394 1.884 20 5 DDBDRO CCOC(=O)c1cc(C(=O)N(C)CC[NH2+]C)cc([N+](=O)[O-])c1 ZINC000423500917 420063856 /nfs/dbraw/zinc/06/38/56/420063856.db2.gz DHSZUWDUSVQYAI-UHFFFAOYSA-N 1 0 309.322 1.063 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000423673967 420121951 /nfs/dbraw/zinc/12/19/51/420121951.db2.gz ANTHDHIEOIUZMN-VXGBXAGGSA-N 1 0 319.361 1.818 20 5 DDBDRO C[C@H]([NH3+])[C@@H]1CCCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000430597215 420150267 /nfs/dbraw/zinc/15/02/67/420150267.db2.gz QCILIPQIUMDNQH-QWHCGFSZSA-N 1 0 320.393 1.617 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H]1CC[NH2+]CC1(C)C ZINC000420359169 420234138 /nfs/dbraw/zinc/23/41/38/420234138.db2.gz GCYQJHFHGYJVFI-CYBMUJFWSA-N 1 0 320.393 1.819 20 5 DDBDRO COc1cc(C(=O)N(C)[C@@H](C[NH3+])C2CC2)cc([N+](=O)[O-])c1C ZINC000423946874 420280378 /nfs/dbraw/zinc/28/03/78/420280378.db2.gz KCZLLQZCIUVECK-ZDUSSCGKSA-N 1 0 307.350 1.721 20 5 DDBDRO CCC[NH2+]CCNS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000420435577 420285273 /nfs/dbraw/zinc/28/52/73/420285273.db2.gz MQZTXEFXAJDBSH-UHFFFAOYSA-N 1 0 315.395 1.056 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NCC1([NH+](C)C)CC1 ZINC000416305230 420321451 /nfs/dbraw/zinc/32/14/51/420321451.db2.gz ATGVTGUNEIWUPE-UHFFFAOYSA-N 1 0 307.350 1.818 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000420448273 420294634 /nfs/dbraw/zinc/29/46/34/420294634.db2.gz WKJVNOZKKRCNKA-VHSXEESVSA-N 1 0 301.368 1.226 20 5 DDBDRO Cc1ccc(NCCCNC(=O)NC(C)(C)C[NH3+])c([N+](=O)[O-])c1 ZINC000417724794 420461724 /nfs/dbraw/zinc/46/17/24/420461724.db2.gz ZAOXFCFLSMSGPC-UHFFFAOYSA-N 1 0 323.397 1.742 20 5 DDBDRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000417771376 420473581 /nfs/dbraw/zinc/47/35/81/420473581.db2.gz UZDKWMHGMFLTQV-DGCLKSJQSA-N 1 0 306.366 1.435 20 5 DDBDRO Cc1cc([C@H]2CCC[N@@H+]2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)on1 ZINC000441241724 420642315 /nfs/dbraw/zinc/64/23/15/420642315.db2.gz YZVOIEBLZPHMMN-CHWSQXEVSA-N 1 0 321.337 1.286 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CC(C3CCCCC3)C2)c1 ZINC000453029487 420704588 /nfs/dbraw/zinc/70/45/88/420704588.db2.gz XDEFQARCHZLAQC-OAHLLOKOSA-N 1 0 308.382 1.664 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)NCCc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000454370395 420848001 /nfs/dbraw/zinc/84/80/01/420848001.db2.gz XWQVZCZZSVGCNM-HIFRSBDPSA-N 1 0 318.377 1.483 20 5 DDBDRO Cc1c(NC(=O)CCN2[C@H](C)C[NH2+]C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000493892999 420966497 /nfs/dbraw/zinc/96/64/97/420966497.db2.gz BDMSVAYHWFTGJR-TXEJJXNPSA-N 1 0 320.393 1.914 20 5 DDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCN(CCCO)C1 ZINC000449395178 421007640 /nfs/dbraw/zinc/00/76/40/421007640.db2.gz IIPXGKGMECUDPS-GOEBONIOSA-N 1 0 321.421 1.962 20 5 DDBDRO COc1cc(C[NH2+][C@@H]2CC[C@H](C(N)=O)C2)c([N+](=O)[O-])cc1O ZINC000449744396 421071864 /nfs/dbraw/zinc/07/18/64/421071864.db2.gz GTNKVRLVAKSDQL-WCBMZHEXSA-N 1 0 309.322 1.053 20 5 DDBDRO CNc1nc(C(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000455879220 421072605 /nfs/dbraw/zinc/07/26/05/421072605.db2.gz CBBPRZDXJQOUEJ-ZJUUUORDSA-N 1 0 319.365 1.387 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000527267845 421373176 /nfs/dbraw/zinc/37/31/76/421373176.db2.gz QEUXDLOVDFIZEB-UHFFFAOYSA-N 1 0 306.366 1.680 20 5 DDBDRO O=C(NC1CC[NH+](CC2CCCC2)CC1)c1c[nH]nc1[N+](=O)[O-] ZINC000548089508 421398152 /nfs/dbraw/zinc/39/81/52/421398152.db2.gz BLYRENHCKDEIKX-UHFFFAOYSA-N 1 0 321.381 1.702 20 5 DDBDRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000563165039 421465318 /nfs/dbraw/zinc/46/53/18/421465318.db2.gz ZYRYPSSNFFZIIW-PSASIEDQSA-N 1 0 307.306 1.051 20 5 DDBDRO CNc1nccc(C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000563896098 421553365 /nfs/dbraw/zinc/55/33/65/421553365.db2.gz CQXBWEIAWSCVFF-GHMZBOCLSA-N 1 0 321.381 1.634 20 5 DDBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])cn1C)[N@@H+]1CCC[C@@H](C)C1 ZINC000518772203 421667049 /nfs/dbraw/zinc/66/70/49/421667049.db2.gz ZYNLXLMVKZXSSG-NEPJUHHUSA-N 1 0 308.382 1.784 20 5 DDBDRO C[C@H]1CC[N@H+](CC(=O)NCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000554597369 421653875 /nfs/dbraw/zinc/65/38/75/421653875.db2.gz DYDQYZILULHJMH-LBPRGKRZSA-N 1 0 306.366 1.465 20 5 DDBDRO CN(CC(C)(C)C[NH3+])C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000571148323 421692112 /nfs/dbraw/zinc/69/21/12/421692112.db2.gz QWVDEMBKGMHAFC-UHFFFAOYSA-N 1 0 324.381 1.600 20 5 DDBDRO Cn1cc([C@H]2C[N@H+](Cc3c([N+](=O)[O-])ncn3C)CC2(C)C)cn1 ZINC000571341434 421706728 /nfs/dbraw/zinc/70/67/28/421706728.db2.gz LEBARNAKWSGBFX-GFCCVEGCSA-N 1 0 318.381 1.687 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@H](C)C[C@@H](C)[NH3+])c1C ZINC000570842554 421674127 /nfs/dbraw/zinc/67/41/27/421674127.db2.gz PAPFBWVYIDEGBH-NXEZZACHSA-N 1 0 315.395 1.616 20 5 DDBDRO CC(C)(C)OC(=O)N1CCC(CC[NH2+]CC[N+](=O)[O-])CC1 ZINC001120583415 782037348 /nfs/dbraw/zinc/03/73/48/782037348.db2.gz WDYGHPAOANLZAK-UHFFFAOYSA-N 1 0 301.387 1.890 20 5 DDBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000522306428 421824119 /nfs/dbraw/zinc/82/41/19/421824119.db2.gz PDRSBBZZUDAVPY-GFCCVEGCSA-N 1 0 304.350 1.631 20 5 DDBDRO CNc1ccc(C(=O)NC[C@]2(C)CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000581309707 421946924 /nfs/dbraw/zinc/94/69/24/421946924.db2.gz KLENLZRQNZNAAX-OAHLLOKOSA-N 1 0 306.366 1.756 20 5 DDBDRO CCN(CC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000574032658 422050757 /nfs/dbraw/zinc/05/07/57/422050757.db2.gz NJURMMVPKCIXHV-UHFFFAOYSA-N 1 0 320.393 1.997 20 5 DDBDRO O=[N+]([O-])c1cnc2ccc(N3CCC([C@@H]4CC[NH2+]C4)CC3)nn21 ZINC000584043883 422245169 /nfs/dbraw/zinc/24/51/69/422245169.db2.gz ZRPIVIGVTFDDPQ-GFCCVEGCSA-N 1 0 316.365 1.463 20 5 DDBDRO O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[C@H]1CCC[NH2+]CC1 ZINC000593908045 422343199 /nfs/dbraw/zinc/34/31/99/422343199.db2.gz ZEYNEDFHDOGNPX-VIFPVBQESA-N 1 0 303.322 1.799 20 5 DDBDRO COCC[NH2+]C1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000578075920 422491573 /nfs/dbraw/zinc/49/15/73/422491573.db2.gz QQTBQFYGSZZIRT-UHFFFAOYSA-N 1 0 323.393 1.674 20 5 DDBDRO CO[C@@H]([C@H](C)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000578436459 422567773 /nfs/dbraw/zinc/56/77/73/422567773.db2.gz UUPBBWBWGOHERE-RBOXIYTFSA-N 1 0 324.377 1.738 20 5 DDBDRO C[C@@H]1CC2(CN1C(=O)c1cc([N+](=O)[O-])cn1C)CC[NH2+]CC2 ZINC000579111071 422708736 /nfs/dbraw/zinc/70/87/36/422708736.db2.gz VMVLUKUOOQVMTF-LLVKDONJSA-N 1 0 306.366 1.538 20 5 DDBDRO Cc1ccc(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])cn1 ZINC000578933112 422674534 /nfs/dbraw/zinc/67/45/34/422674534.db2.gz PGBBBCSRGLOCCZ-CQSZACIVSA-N 1 0 317.345 1.828 20 5 DDBDRO CC[NH+](CC)CCCCNC(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000195238333 263537900 /nfs/dbraw/zinc/53/79/00/263537900.db2.gz MVYVKVDTRLVMRY-UHFFFAOYSA-N 1 0 311.386 1.338 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@]12CCOC2 ZINC000341956080 271259399 /nfs/dbraw/zinc/25/93/99/271259399.db2.gz SKIYNELTTRYQKY-CZUORRHYSA-N 1 0 322.361 1.589 20 5 DDBDRO COc1cc(C[NH2+][C@H]2CCC(=O)N[C@@H]2C2CC2)ccc1[N+](=O)[O-] ZINC000342052921 271283033 /nfs/dbraw/zinc/28/30/33/271283033.db2.gz WFYXPUPVKGMKNU-BLLLJJGKSA-N 1 0 319.361 1.750 20 5 DDBDRO CC(C)(C)[NH2+]CCNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000345146713 272181503 /nfs/dbraw/zinc/18/15/03/272181503.db2.gz JWKZHNHJQXPPNM-UHFFFAOYSA-N 1 0 315.395 1.798 20 5 DDBDRO CN(C(=O)Cc1ccccc1[N+](=O)[O-])[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000347005001 272601597 /nfs/dbraw/zinc/60/15/97/272601597.db2.gz KVUFLNXKPUOMMR-CQSZACIVSA-N 1 0 303.362 1.832 20 5 DDBDRO COC(=O)c1cc(N2CC[NH+](C3CC3)CC2)cc(C)c1[N+](=O)[O-] ZINC000301689749 274000155 /nfs/dbraw/zinc/00/01/55/274000155.db2.gz NEECSERRJRTIKP-UHFFFAOYSA-N 1 0 319.361 1.974 20 5 DDBDRO C[C@@H]1C[N@H+](CCO)CCN1c1ccc([N+](=O)[O-])c2ncccc12 ZINC000413312699 274348785 /nfs/dbraw/zinc/34/87/85/274348785.db2.gz GHUZBLBILRPHMV-GFCCVEGCSA-N 1 0 316.361 1.646 20 5 DDBDRO CC[NH+](CC)C[C@@H](C)NC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000433756111 276104643 /nfs/dbraw/zinc/10/46/43/276104643.db2.gz DDWBAUSEVWOXJB-SNVBAGLBSA-N 1 0 311.386 1.901 20 5 DDBDRO CC[NH+]1CCC(N(C)C(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])CC1 ZINC000331218234 276148937 /nfs/dbraw/zinc/14/89/37/276148937.db2.gz RQNZXIMNNDCCLH-UHFFFAOYSA-N 1 0 323.397 1.998 20 5 DDBDRO CC[NH2+][C@H](C)CNS(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000262474026 276270629 /nfs/dbraw/zinc/27/06/29/276270629.db2.gz PNTNOXCPZBXKSD-SNVBAGLBSA-N 1 0 301.368 1.180 20 5 DDBDRO CN1CCN(C)[C@@H](C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000278849947 277102142 /nfs/dbraw/zinc/10/21/42/277102142.db2.gz VPMDHOSDTOTRMH-RDJZCZTQSA-N 1 0 318.421 1.808 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CCN(c3ccc([N+](=O)[O-])c4nonc43)[C@@H]2C1 ZINC000272188275 277146725 /nfs/dbraw/zinc/14/67/25/277146725.db2.gz LOSVBPJDZDEBNU-BXKDBHETSA-N 1 0 303.322 1.661 20 5 DDBDRO CNC(=O)C[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000453342751 277232863 /nfs/dbraw/zinc/23/28/63/277232863.db2.gz CTCMAVIBSSRCMD-TUAOUCFPSA-N 1 0 309.370 1.389 20 5 DDBDRO COC(=O)CC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C(C)C ZINC000090549146 277316992 /nfs/dbraw/zinc/31/69/92/277316992.db2.gz XIGKNKDZAOCVSV-UHFFFAOYSA-N 1 0 311.338 1.030 20 5 DDBDRO COc1cc(C(=O)N[C@H](C)C[NH3+])c([N+](=O)[O-])cc1OC(F)F ZINC000274380983 277370863 /nfs/dbraw/zinc/37/08/63/277370863.db2.gz ARZWRXOPCNUPMS-ZCFIWIBFSA-N 1 0 319.264 1.282 20 5 DDBDRO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000278214079 279035586 /nfs/dbraw/zinc/03/55/86/279035586.db2.gz IRNQQVCVKYGTSD-GXSJLCMTSA-N 1 0 321.333 1.236 20 5 DDBDRO CC[N@H+](C)C[C@@H]1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269629460 279036922 /nfs/dbraw/zinc/03/69/22/279036922.db2.gz FAGUJVBMSMTZCX-XJKSGUPXSA-N 1 0 307.394 1.902 20 5 DDBDRO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1cnccn1 ZINC000080965053 281005015 /nfs/dbraw/zinc/00/50/15/281005015.db2.gz LIRRXXQLGWYPTO-UHFFFAOYSA-N 1 0 315.333 1.845 20 5 DDBDRO Cc1c(CC(=O)N(C)CC[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000120368450 281117093 /nfs/dbraw/zinc/11/70/93/281117093.db2.gz VJFWRQUWTCSISU-UHFFFAOYSA-N 1 0 305.378 2.000 20 5 DDBDRO CN(C1CC[NH2+]CC1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000123081977 281166013 /nfs/dbraw/zinc/16/60/13/281166013.db2.gz ZKYDWPUZSABQJH-UHFFFAOYSA-N 1 0 305.381 1.029 20 5 DDBDRO C[NH+](C)CC1CCC(NC(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000130189940 281370288 /nfs/dbraw/zinc/37/02/88/281370288.db2.gz CVACVSKCPKAEJQ-UHFFFAOYSA-N 1 0 323.397 1.418 20 5 DDBDRO Cc1c(CC(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000186905294 281851053 /nfs/dbraw/zinc/85/10/53/281851053.db2.gz WOASLLYZPFIJNQ-MJBXVCDLSA-N 1 0 303.362 1.641 20 5 DDBDRO C[C@@]1(CN2CCN(c3ccccc3[N+](=O)[O-])CC2)CC[NH2+]C1 ZINC000261892652 289164643 /nfs/dbraw/zinc/16/46/43/289164643.db2.gz UGXWMYRFKRVXKC-MRXNPFEDSA-N 1 0 304.394 1.716 20 5 DDBDRO C[C@H]([NH3+])[C@H](C)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000449595877 289788627 /nfs/dbraw/zinc/78/86/27/289788627.db2.gz VUXKBZMHUWYQPA-QWRGUYRKSA-N 1 0 306.366 1.661 20 5 DDBDRO C[C@@H]1CN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000252724573 297064790 /nfs/dbraw/zinc/06/47/90/297064790.db2.gz XRRXVRVZBCUBGY-PSASIEDQSA-N 1 0 317.342 1.092 20 5 DDBDRO [NH3+]C[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000089108020 295268609 /nfs/dbraw/zinc/26/86/09/295268609.db2.gz WFFJGHNMYSICLI-ZWNOBZJWSA-N 1 0 313.379 1.391 20 5 DDBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@H](O)[C@H]1CCOC1)C1CC1 ZINC000358052701 299058424 /nfs/dbraw/zinc/05/84/24/299058424.db2.gz YLWVNQNZQDQMMK-ZOBUZTSGSA-N 1 0 320.389 1.903 20 5 DDBDRO O=[N+]([O-])c1cccc(OCCN2CCN([C@H]3CCOC3)CC2)c1 ZINC000362222651 300031509 /nfs/dbraw/zinc/03/15/09/300031509.db2.gz ZWISPTSJRFWBMY-HNNXBMFYSA-N 1 0 321.377 1.380 20 5 DDBDRO COc1ccc2c(c1)CC[N@@H+](Cc1c([N+](=O)[O-])ncn1C)CC2 ZINC000362454188 300067717 /nfs/dbraw/zinc/06/77/17/300067717.db2.gz UOLSJQINWYVUOS-UHFFFAOYSA-N 1 0 316.361 1.938 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)n1 ZINC000574396371 304649425 /nfs/dbraw/zinc/64/94/25/304649425.db2.gz XULJQNBKSMWOTL-GFCCVEGCSA-N 1 0 321.381 1.415 20 5 DDBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@@H](N2CCOCC2)C1 ZINC000363111427 300213163 /nfs/dbraw/zinc/21/31/63/300213163.db2.gz SYSWOXCUPBZECE-CQSZACIVSA-N 1 0 319.361 1.708 20 5 DDBDRO O=C(Cc1ccccc1[N+](=O)[O-])N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000363324522 300251208 /nfs/dbraw/zinc/25/12/08/300251208.db2.gz PQZHIGBGNIIQGF-KBPBESRZSA-N 1 0 303.362 1.880 20 5 DDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000363564387 300283067 /nfs/dbraw/zinc/28/30/67/300283067.db2.gz TXAHQHKEHIWWFB-UONOGXRCSA-N 1 0 303.362 1.880 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCOCC2(CCCC2)C1 ZINC000364331426 300377906 /nfs/dbraw/zinc/37/79/06/300377906.db2.gz YYIAFCZAXVTBHV-UHFFFAOYSA-N 1 0 321.377 1.649 20 5 DDBDRO CN(CC(=O)NCCC[NH2+]C1CC1)c1ccccc1[N+](=O)[O-] ZINC000574692786 304675833 /nfs/dbraw/zinc/67/58/33/304675833.db2.gz AHBVSUBHVRRINZ-UHFFFAOYSA-N 1 0 306.366 1.289 20 5 DDBDRO O=C(Cn1cc([N+](=O)[O-])cn1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000365554478 300533110 /nfs/dbraw/zinc/53/31/10/300533110.db2.gz OPKJZJPJQXYGTE-ZDUSSCGKSA-N 1 0 321.381 1.126 20 5 DDBDRO O=C(COc1cccc([N+](=O)[O-])c1)N[C@H]1CC12CC[NH2+]CC2 ZINC000368374121 301013728 /nfs/dbraw/zinc/01/37/28/301013728.db2.gz HOSALLJBBXVXSE-ZDUSSCGKSA-N 1 0 305.334 1.232 20 5 DDBDRO O=C(N[C@H]1CCC[NH2+]CC1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000368710413 301079841 /nfs/dbraw/zinc/07/98/41/301079841.db2.gz SRQSHFRTRSNJLF-VIFPVBQESA-N 1 0 303.322 1.343 20 5 DDBDRO C[C@H]1CN(c2ncccc2[N+](=O)[O-])CC[C@H]1[NH+]1CCN(C)CC1 ZINC000371350442 301454329 /nfs/dbraw/zinc/45/43/29/301454329.db2.gz RZNLTGNBIGBKAX-UONOGXRCSA-N 1 0 319.409 1.452 20 5 DDBDRO CN(CC(=O)N1CC[C@H]2CC[NH2+][C@H]2C1)c1ccccc1[N+](=O)[O-] ZINC000373066281 301657888 /nfs/dbraw/zinc/65/78/88/301657888.db2.gz POWMVDQSMOAEID-OLZOCXBDSA-N 1 0 318.377 1.241 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCC(OCC3CC3)CC2)c1 ZINC000374129219 301764686 /nfs/dbraw/zinc/76/46/86/301764686.db2.gz GSKQCOUNEAPCFB-CQSZACIVSA-N 1 0 324.381 1.043 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C[NH3+])CC(C)C ZINC000111830097 301865209 /nfs/dbraw/zinc/86/52/09/301865209.db2.gz WNLSFGANDRAYBV-LLVKDONJSA-N 1 0 315.395 1.555 20 5 DDBDRO [NH3+][C@H](C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)C1CCC1 ZINC000399238245 302365532 /nfs/dbraw/zinc/36/55/32/302365532.db2.gz SLMXPWZEIUPWRZ-HNNXBMFYSA-N 1 0 318.377 1.371 20 5 DDBDRO C[C@@H](CCC[NH3+])NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000420443271 302384926 /nfs/dbraw/zinc/38/49/26/302384926.db2.gz QMMBSRDONISURB-JTQLQIEISA-N 1 0 301.368 1.142 20 5 DDBDRO Cc1cc(C[N@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)ccc1F ZINC000444739313 302394857 /nfs/dbraw/zinc/39/48/57/302394857.db2.gz ADNONFMTAHSAHZ-AWEZNQCLSA-N 1 0 322.340 1.732 20 5 DDBDRO C[NH+](C)C1(CNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CCCCC1 ZINC000357406481 306882025 /nfs/dbraw/zinc/88/20/25/306882025.db2.gz WLROAUCBPGEJSN-UHFFFAOYSA-N 1 0 322.365 1.690 20 5 DDBDRO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000537718056 303378314 /nfs/dbraw/zinc/37/83/14/303378314.db2.gz GPGLBRMTHOGQJD-AWEZNQCLSA-N 1 0 323.393 1.726 20 5 DDBDRO CN(CCC[NH+](C)C)C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000540515355 303406447 /nfs/dbraw/zinc/40/64/47/303406447.db2.gz DVYWFOWETJNTGU-UHFFFAOYSA-N 1 0 308.382 1.807 20 5 DDBDRO COC[C@@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)C(C)C ZINC000541595725 303424399 /nfs/dbraw/zinc/42/43/99/303424399.db2.gz XQWLZJSXKUHUEZ-DZGCQCFKSA-N 1 0 312.366 1.595 20 5 DDBDRO CN(CCC[NH+](C)C)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000541814414 303429172 /nfs/dbraw/zinc/42/91/72/303429172.db2.gz HZHPAZMUTIENJF-UHFFFAOYSA-N 1 0 324.381 1.567 20 5 DDBDRO CCCN(CC[NH+]1CCCC1)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000553387452 303674335 /nfs/dbraw/zinc/67/43/35/303674335.db2.gz CGZOEFCWAWHCQV-UHFFFAOYSA-N 1 0 306.366 1.938 20 5 DDBDRO C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)C(C)(C)n1cncn1 ZINC000558492996 303772689 /nfs/dbraw/zinc/77/26/89/303772689.db2.gz IKLMUUJRNUNFSS-LBPRGKRZSA-N 1 0 319.365 1.979 20 5 DDBDRO Cn1c(C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000359667695 306959834 /nfs/dbraw/zinc/95/98/34/306959834.db2.gz PKNSUPUVGQHADN-ZDUSSCGKSA-N 1 0 320.393 1.881 20 5 DDBDRO CN(CC(=O)N(C)[C@H]1CCC[NH2+]CC1)c1ccccc1[N+](=O)[O-] ZINC000364646732 307049410 /nfs/dbraw/zinc/04/94/10/307049410.db2.gz MXWNXSAUQMUDDT-ZDUSSCGKSA-N 1 0 320.393 1.632 20 5 DDBDRO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)c1ccc([N+](=O)[O-])o1 ZINC000366473779 307074628 /nfs/dbraw/zinc/07/46/28/307074628.db2.gz LEOOZNGLQGJYJD-NSHDSACASA-N 1 0 309.322 1.171 20 5 DDBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N[C@H]1CCC[NH2+]CC1 ZINC000368713042 307108469 /nfs/dbraw/zinc/10/84/69/307108469.db2.gz SQKBCRPKYOKWQH-LBPRGKRZSA-N 1 0 307.350 1.622 20 5 DDBDRO O=C(C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)N1CCCC1 ZINC000369493915 307121870 /nfs/dbraw/zinc/12/18/70/307121870.db2.gz MRJMJBQKTJPVAA-UHFFFAOYSA-N 1 0 307.354 1.051 20 5 DDBDRO Cn1nccc1[C@@H]1CCC[C@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)C1 ZINC000369562726 307124254 /nfs/dbraw/zinc/12/42/54/307124254.db2.gz VBXHRXSRYXSPBS-OLZOCXBDSA-N 1 0 318.381 1.841 20 5 DDBDRO Cn1cc(N2CC[C@@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)C2)cn1 ZINC000370906741 307139505 /nfs/dbraw/zinc/13/95/05/307139505.db2.gz XPNXUZYXXXOOGS-CYBMUJFWSA-N 1 0 301.350 1.697 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000373938064 307198172 /nfs/dbraw/zinc/19/81/72/307198172.db2.gz MJVAOBUTAYURIQ-NWDGAFQWSA-N 1 0 304.350 1.655 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1CN1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O ZINC000373973971 307198715 /nfs/dbraw/zinc/19/87/15/307198715.db2.gz CLLMSHQCONJHFL-PSOPSSQASA-N 1 0 319.361 1.689 20 5 DDBDRO COC(=O)[C@]12CCC[C@H]1C[N@H+](CCn1cc([N+](=O)[O-])cn1)C2 ZINC000374695377 307211920 /nfs/dbraw/zinc/21/19/20/307211920.db2.gz FNIMJXROSTXSGG-FZMZJTMJSA-N 1 0 308.338 1.066 20 5 DDBDRO C[C@H](CO)[N@@H+]1CCCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000375505424 307227042 /nfs/dbraw/zinc/22/70/42/307227042.db2.gz HBXSXRHXIBEXJV-LLVKDONJSA-N 1 0 324.337 1.396 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000566797710 308063897 /nfs/dbraw/zinc/06/38/97/308063897.db2.gz MDNHTHFZSGMIMP-GFCCVEGCSA-N 1 0 315.333 1.027 20 5 DDBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)N[C@H]1CCC[NH2+]C1 ZINC000566845134 308064806 /nfs/dbraw/zinc/06/48/06/308064806.db2.gz SDMYADQUDSQBDB-NSHDSACASA-N 1 0 308.338 1.025 20 5 DDBDRO Cc1c(NC(=O)CC[NH+]2CC(C)(C(N)=O)C2)cccc1[N+](=O)[O-] ZINC000567791107 308095854 /nfs/dbraw/zinc/09/58/54/308095854.db2.gz HCNCDAFCHFTUEQ-UHFFFAOYSA-N 1 0 320.349 1.039 20 5 DDBDRO Cc1ccc(CC[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c(C)c1 ZINC000569213933 308136875 /nfs/dbraw/zinc/13/68/75/308136875.db2.gz IGNDPXYTKWMJHN-MRXNPFEDSA-N 1 0 318.377 1.601 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2CC[C@@H]3CCC[C@H]3C2)c1 ZINC000569214475 308137120 /nfs/dbraw/zinc/13/71/20/308137120.db2.gz SPKQXLIHWALLNM-RMRHIDDWSA-N 1 0 308.382 1.711 20 5 DDBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000569225947 308137317 /nfs/dbraw/zinc/13/73/17/308137317.db2.gz QGUNLAZOPUWEIU-VHSXEESVSA-N 1 0 302.334 1.999 20 5 DDBDRO C[NH+](C)CCn1ccc(C(=O)NCc2cccc([N+](=O)[O-])c2)n1 ZINC000570461690 308171071 /nfs/dbraw/zinc/17/10/71/308171071.db2.gz HXJYSEVSIFZURN-UHFFFAOYSA-N 1 0 317.349 1.283 20 5 DDBDRO CCN(CC[NH+]1CCCCCC1)C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000573159281 308230640 /nfs/dbraw/zinc/23/06/40/308230640.db2.gz VRABWNXWQIMNQA-UHFFFAOYSA-N 1 0 309.370 1.656 20 5 DDBDRO O=C(NCC1CC[NH2+]CC1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000573778316 308251723 /nfs/dbraw/zinc/25/17/23/308251723.db2.gz LTIGELACCPBPFO-UHFFFAOYSA-N 1 0 321.333 1.095 20 5 DDBDRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000583370915 332366430 /nfs/dbraw/zinc/36/64/30/332366430.db2.gz GSHVLXZLUAFJBE-SMDDNHRTSA-N 1 0 322.365 1.271 20 5 DDBDRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000583135319 337243197 /nfs/dbraw/zinc/24/31/97/337243197.db2.gz PBKJECCCHADNNH-HIFRSBDPSA-N 1 0 306.366 1.713 20 5 DDBDRO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CC[C@H]1[NH3+] ZINC000583262370 337293786 /nfs/dbraw/zinc/29/37/86/337293786.db2.gz XXAWPFRJGOYCHO-JOYOIKCWSA-N 1 0 321.333 1.175 20 5 DDBDRO CN(CCc1ccccc1[N+](=O)[O-])c1cc[nH+]cc1C(N)=O ZINC000561335418 484325021 /nfs/dbraw/zinc/32/50/21/484325021.db2.gz AQCPVBNBOLSMJC-UHFFFAOYSA-N 1 0 300.318 1.768 20 5 DDBDRO Cc1cc(C(=O)N[C@H](CC[NH3+])C(F)(F)F)cc([N+](=O)[O-])c1 ZINC000307817061 484377306 /nfs/dbraw/zinc/37/73/06/484377306.db2.gz LFQWLQANDUQQHE-SNVBAGLBSA-N 1 0 305.256 1.913 20 5 DDBDRO C[C@@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccn(C)n1 ZINC000459791214 500642055 /nfs/dbraw/zinc/64/20/55/500642055.db2.gz STUBKZDVMUGCNV-YPMHNXCESA-N 1 0 320.349 1.419 20 5 DDBDRO Cc1c(CC(=O)N[C@H]2CC[NH2+]CC2(C)C)cccc1[N+](=O)[O-] ZINC000423754630 533838303 /nfs/dbraw/zinc/83/83/03/533838303.db2.gz ZXJLZYIYWLWXLZ-AWEZNQCLSA-N 1 0 305.378 1.950 20 5 DDBDRO Cc1c(CN2C[C@H](C)[N@@H+](CCO)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000419331798 533847291 /nfs/dbraw/zinc/84/72/91/533847291.db2.gz RUTJOXPZBVJYDN-STQMWFEESA-N 1 0 307.394 1.790 20 5 DDBDRO CCCc1n[nH]c(C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)c1[N+](=O)[O-] ZINC000156444407 521326908 /nfs/dbraw/zinc/32/69/08/521326908.db2.gz COPPJLYFHGEBFH-UWVGGRQHSA-N 1 0 309.370 1.470 20 5 DDBDRO CC[NH+]1CCC(NC(=O)COc2ncc(C)cc2[N+](=O)[O-])CC1 ZINC000157966672 521573162 /nfs/dbraw/zinc/57/31/62/521573162.db2.gz LTJLZIURZWLQDS-UHFFFAOYSA-N 1 0 322.365 1.278 20 5 DDBDRO C[NH+](C)C1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000153528920 524038370 /nfs/dbraw/zinc/03/83/70/524038370.db2.gz UFLNPUQQQCXQIR-UHFFFAOYSA-N 1 0 309.341 1.829 20 5 DDBDRO CC[N@@H+]1CC[C@H](NC(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)C1 ZINC000412836463 527874582 /nfs/dbraw/zinc/87/45/82/527874582.db2.gz ISOHBVHTMUDFFQ-NSHDSACASA-N 1 0 323.349 1.436 20 5 DDBDRO CCOC(=O)[C@@H]1NCC[C@H]1[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000422919549 527914837 /nfs/dbraw/zinc/91/48/37/527914837.db2.gz JYYHWBVDGKDLLN-UXIGCNINSA-N 1 0 321.377 1.847 20 5 DDBDRO CCNC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000294800459 528155575 /nfs/dbraw/zinc/15/55/75/528155575.db2.gz OYRVUESBQJRPDY-JQWIXIFHSA-N 1 0 321.381 1.631 20 5 DDBDRO CC(C)[C@@H](CC(F)(F)F)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000445894509 528428715 /nfs/dbraw/zinc/42/87/15/528428715.db2.gz QPKCZVJEWRTREH-GHMZBOCLSA-N 1 0 324.303 1.719 20 5 DDBDRO CC[C@H]1[C@@H](CO)CC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000451250276 529339088 /nfs/dbraw/zinc/33/90/88/529339088.db2.gz DEJJOPRJGSIONL-DOMZBBRYSA-N 1 0 321.377 1.650 20 5 DDBDRO CC(C)[N@@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000735883095 598500220 /nfs/dbraw/zinc/50/02/20/598500220.db2.gz WFBNPWXTFCENPA-VIFPVBQESA-N 1 0 318.341 1.065 20 5 DDBDRO CC(C)[C@@H]([NH3+])CNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000124442892 696742994 /nfs/dbraw/zinc/74/29/94/696742994.db2.gz FUYNUYXOHNPSQA-VIFPVBQESA-N 1 0 321.786 1.510 20 5 DDBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](CCC3OCCO3)C2)nc1 ZINC000124994879 696748355 /nfs/dbraw/zinc/74/83/55/696748355.db2.gz YPVMMOLXMSUAON-NSHDSACASA-N 1 0 308.338 1.239 20 5 DDBDRO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C[C@@H](C)[NH2+]1 ZINC000153492615 696916636 /nfs/dbraw/zinc/91/66/36/696916636.db2.gz QZECBQHPLKTJRD-GHMZBOCLSA-N 1 0 306.366 1.483 20 5 DDBDRO CCOC(=O)C1CC[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776271604 698089971 /nfs/dbraw/zinc/08/99/71/698089971.db2.gz HCIKIJBICODRML-HNNXBMFYSA-N 1 0 322.361 1.903 20 5 DDBDRO O=C(NCC[NH+]1CCCC1)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000778220759 698250576 /nfs/dbraw/zinc/25/05/76/698250576.db2.gz BVQNDEGEYPLNNI-UHFFFAOYSA-N 1 0 321.362 1.425 20 5 DDBDRO CC(C)c1nccn1CC(=O)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000779771209 698463231 /nfs/dbraw/zinc/46/32/31/698463231.db2.gz KTUSEMRYTFUUIB-UHFFFAOYSA-N 1 0 316.317 1.871 20 5 DDBDRO C[C@@H]1CCC[N@@H+]1CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000780868832 698566129 /nfs/dbraw/zinc/56/61/29/698566129.db2.gz ZNGIGURVMPBJPD-LLVKDONJSA-N 1 0 313.379 1.357 20 5 DDBDRO C[C@H]([NH3+])C[C@H](C)NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000320021073 698717211 /nfs/dbraw/zinc/71/72/11/698717211.db2.gz AXCIYNFKWZQJCJ-YUMQZZPRSA-N 1 0 305.331 1.138 20 5 DDBDRO Cc1c(CC(=O)N2CC[C@]3(CCC[NH2+]3)C2)cccc1[N+](=O)[O-] ZINC000424022044 699147363 /nfs/dbraw/zinc/14/73/63/699147363.db2.gz CMBAGRKEZJGHLG-MRXNPFEDSA-N 1 0 303.362 1.800 20 5 DDBDRO NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000787329724 699206254 /nfs/dbraw/zinc/20/62/54/699206254.db2.gz DEYFIXNZNRPAFU-MYPMTAMASA-N 1 0 319.361 1.214 20 5 DDBDRO [NH3+]C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)C(F)(F)F ZINC000702051808 699227983 /nfs/dbraw/zinc/22/79/83/699227983.db2.gz VSRAUUZZDUOFPN-MRVPVSSYSA-N 1 0 311.647 1.868 20 5 DDBDRO CC(C)[N@H+](C)C[C@H](C)NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000809861203 701696135 /nfs/dbraw/zinc/69/61/35/701696135.db2.gz SUUDTWUZZNRPJA-VIFPVBQESA-N 1 0 321.424 1.663 20 5 DDBDRO CC(C)(NC[C@H](O)C[NH+]1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000795222356 699852586 /nfs/dbraw/zinc/85/25/86/699852586.db2.gz SGPGIEKUKCSRMX-ZDUSSCGKSA-N 1 0 307.394 1.876 20 5 DDBDRO C[C@@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000743978817 699931498 /nfs/dbraw/zinc/93/14/98/699931498.db2.gz PDLWCHKFWKHUDL-LLVKDONJSA-N 1 0 320.349 1.134 20 5 DDBDRO C[N@H+]1CC=C(CNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1 ZINC000801945289 700359026 /nfs/dbraw/zinc/35/90/26/700359026.db2.gz CCVUVABKMZIZNR-UHFFFAOYSA-N 1 0 308.313 1.308 20 5 DDBDRO Cc1cc(C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)c(N)c([N+](=O)[O-])c1 ZINC000758336335 700699481 /nfs/dbraw/zinc/69/94/81/700699481.db2.gz PVEFHNWFDPSHDM-GXFFZTMASA-N 1 0 318.377 1.698 20 5 DDBDRO CS[C@@H]1CN(c2nc3ccccn3c2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000759277644 700744698 /nfs/dbraw/zinc/74/46/98/700744698.db2.gz HLVMYFWOYRETPI-GHMZBOCLSA-N 1 0 321.406 1.724 20 5 DDBDRO O=[N+]([O-])c1cccc([N+](=O)[O-])c1NC[C@H](O)C[NH+]1CCCCC1 ZINC000804348667 701181222 /nfs/dbraw/zinc/18/12/22/701181222.db2.gz DMTIFWNHLVOBKK-NSHDSACASA-N 1 0 324.337 1.762 20 5 DDBDRO O=[N+]([O-])c1cccc([N+](=O)[O-])c1NCCC[NH+]1CCC(O)CC1 ZINC000804361143 701182034 /nfs/dbraw/zinc/18/20/34/701182034.db2.gz HCIQJDZDVIJFNL-UHFFFAOYSA-N 1 0 324.337 1.762 20 5 DDBDRO CN(C)C(=O)CCC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000769663272 701251425 /nfs/dbraw/zinc/25/14/25/701251425.db2.gz RQNLIPBDGHTZLR-UHFFFAOYSA-N 1 0 320.393 1.585 20 5 DDBDRO Cn1ncc(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000806168384 701428704 /nfs/dbraw/zinc/42/87/04/701428704.db2.gz KJPGDZLHQNGJMJ-CQSZACIVSA-N 1 0 301.350 1.834 20 5 DDBDRO Cc1ccc([C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[NH+]2CCCC2)cc1 ZINC000839605675 701752170 /nfs/dbraw/zinc/75/21/70/701752170.db2.gz YTLBMLLLEOTEMF-OAGGEKHMSA-N 1 0 317.389 1.913 20 5 DDBDRO C[C@@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000839700089 701789593 /nfs/dbraw/zinc/78/95/93/701789593.db2.gz JIUGHIHINDJBTI-SLBVQIDZSA-N 1 0 317.389 1.821 20 5 DDBDRO C[C@@H]([NH2+]C[C@@H](C)S(C)(=O)=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815597753 701901740 /nfs/dbraw/zinc/90/17/40/701901740.db2.gz FFSWTGAZEOKPCY-RKDXNWHRSA-N 1 0 301.368 1.261 20 5 DDBDRO CNC(=O)c1ccc(N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)c([N+](=O)[O-])c1 ZINC000866205427 706648604 /nfs/dbraw/zinc/64/86/04/706648604.db2.gz LULDMJKBSFQFIX-STQMWFEESA-N 1 0 318.377 1.485 20 5 DDBDRO CO[C@@H]1CC[C@H](C)[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000879322296 706649393 /nfs/dbraw/zinc/64/93/93/706649393.db2.gz JGCPUVOPSIPDPY-GXFFZTMASA-N 1 0 307.350 1.693 20 5 DDBDRO C[N@@H+]1C[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])c(F)cc3N)[C@H]2C1 ZINC000816952048 702235308 /nfs/dbraw/zinc/23/53/08/702235308.db2.gz BEMWUXMHGRUYJB-OQPBUACISA-N 1 0 308.313 1.092 20 5 DDBDRO [NH3+]CCN(CCO)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000841059255 702330001 /nfs/dbraw/zinc/33/00/01/702330001.db2.gz OFXCTNJDAQKWTD-UHFFFAOYSA-N 1 0 318.171 1.110 20 5 DDBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N(C)CC[NH3+])CC1 ZINC000818010532 702552329 /nfs/dbraw/zinc/55/23/29/702552329.db2.gz PPMUVLXSXFCRJJ-UHFFFAOYSA-N 1 0 320.393 1.862 20 5 DDBDRO O=C(CC[NH2+]C[C@H](O)C(F)(F)F)Nc1ccccc1[N+](=O)[O-] ZINC000843062771 702811316 /nfs/dbraw/zinc/81/13/16/702811316.db2.gz NKLDVJRVMBRPHE-JTQLQIEISA-N 1 0 321.255 1.436 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CC[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC000843323627 702859659 /nfs/dbraw/zinc/85/96/59/702859659.db2.gz YBEWLEMDIVTJLJ-MRVPVSSYSA-N 1 0 308.294 1.245 20 5 DDBDRO [NH3+][C@@H]1CCCN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000843345452 702863440 /nfs/dbraw/zinc/86/34/40/702863440.db2.gz MDBQBAUJDMPDRQ-SNVBAGLBSA-N 1 0 312.757 1.610 20 5 DDBDRO CC1([NH3+])CCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000843468164 702888059 /nfs/dbraw/zinc/88/80/59/702888059.db2.gz PDCSEDXPRFQJAB-UHFFFAOYSA-N 1 0 311.313 1.453 20 5 DDBDRO C[C@@H](CCO)[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000844450020 703033243 /nfs/dbraw/zinc/03/32/43/703033243.db2.gz NWFBTRQIDUAKNE-JTQLQIEISA-N 1 0 313.329 1.765 20 5 DDBDRO C[N@@H+]1CC[C@H]2CN(CCOc3ccccc3[N+](=O)[O-])CC[C@H]21 ZINC000879571285 706722111 /nfs/dbraw/zinc/72/21/11/706722111.db2.gz OSLBIFPAFTZLEK-UONOGXRCSA-N 1 0 305.378 2.000 20 5 DDBDRO C[C@@H]([NH2+]CC[C@@]1(O)CCCOC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000846215264 703251956 /nfs/dbraw/zinc/25/19/56/703251956.db2.gz ZSGZMETWKWCRQV-ABAIWWIYSA-N 1 0 309.366 1.759 20 5 DDBDRO Cn1ccnc1[C@H]1CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000846835473 703339541 /nfs/dbraw/zinc/33/95/41/703339541.db2.gz BNPNHWSHEGRTGA-DZGCQCFKSA-N 1 0 316.361 1.851 20 5 DDBDRO C[C@H](CCNS(=O)(=O)c1csc([N+](=O)[O-])c1)[NH+](C)C ZINC000849428482 703646740 /nfs/dbraw/zinc/64/67/40/703646740.db2.gz CDKQNUPWXWYLHA-MRVPVSSYSA-N 1 0 307.397 1.275 20 5 DDBDRO C[C@@H]1CCN(C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C[C@@H]1[NH3+] ZINC000850723190 703746988 /nfs/dbraw/zinc/74/69/88/703746988.db2.gz HFIXORQLOZXPHP-APPZFPTMSA-N 1 0 321.362 1.409 20 5 DDBDRO CCC[N@@H+]1CC[C@H](NS(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000851820595 703864724 /nfs/dbraw/zinc/86/47/24/703864724.db2.gz CLMZBFSKFFXULW-VIFPVBQESA-N 1 0 319.408 1.419 20 5 DDBDRO CCO[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1C)C[NH+](C)C ZINC000831751561 706771412 /nfs/dbraw/zinc/77/14/12/706771412.db2.gz NEZJGJDPTAXEIL-ZDUSSCGKSA-N 1 0 309.366 1.600 20 5 DDBDRO COc1cccc(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC000818988206 704044514 /nfs/dbraw/zinc/04/45/14/704044514.db2.gz FVTRBMPXRRNAEC-CQSZACIVSA-N 1 0 303.318 1.822 20 5 DDBDRO CC(C)(C)[S@](=O)CC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819054792 704060810 /nfs/dbraw/zinc/06/08/10/704060810.db2.gz BOZXSKLQZYREFA-YEJXKQKISA-N 1 0 314.407 1.765 20 5 DDBDRO CC[C@@H](C[NH+](C)C)OC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000870555174 704075822 /nfs/dbraw/zinc/07/58/22/704075822.db2.gz RUHSQAWYFLOYIB-VIFPVBQESA-N 1 0 310.306 1.821 20 5 DDBDRO CCOC(=O)C[C@H](C)C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819193834 704084596 /nfs/dbraw/zinc/08/45/96/704084596.db2.gz LJBRYBFXKXSBKE-FZMZJTMJSA-N 1 0 310.350 1.807 20 5 DDBDRO COCC1(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000819326476 704107685 /nfs/dbraw/zinc/10/76/85/704107685.db2.gz PFBLEUSNWJELOZ-HNNXBMFYSA-N 1 0 324.377 1.661 20 5 DDBDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)c3ccc(N)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000819718151 704163933 /nfs/dbraw/zinc/16/39/33/704163933.db2.gz RUTWXFMSQYHCAC-SMDDNHRTSA-N 1 0 304.350 1.343 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000870977354 704188546 /nfs/dbraw/zinc/18/85/46/704188546.db2.gz KWHPKZVGSBDBHN-CLLJXQQHSA-N 1 0 319.361 1.620 20 5 DDBDRO COC(=O)Cc1ccc(N2CC(C[NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000853651668 704293399 /nfs/dbraw/zinc/29/33/99/704293399.db2.gz KNUAEHHWMCNRKQ-UHFFFAOYSA-N 1 0 307.350 1.308 20 5 DDBDRO Nc1ccc([N+](=O)[O-])c(N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000853965040 704341563 /nfs/dbraw/zinc/34/15/63/704341563.db2.gz CWTZKGAOCCEMDJ-CYBMUJFWSA-N 1 0 306.366 1.212 20 5 DDBDRO C/C(=C/C(=O)N[C@@H](CO)C[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000854464397 704401812 /nfs/dbraw/zinc/40/18/12/704401812.db2.gz KCWPVELHLYUVIX-BIRHUZIMSA-N 1 0 307.350 1.037 20 5 DDBDRO C[NH+](C)CCn1ccc(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)n1 ZINC000854496036 704407844 /nfs/dbraw/zinc/40/78/44/704407844.db2.gz BPERHAOYJADYRG-UHFFFAOYSA-N 1 0 318.337 1.187 20 5 DDBDRO C[NH+](C)C1CC(NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000857229346 704566467 /nfs/dbraw/zinc/56/64/67/704566467.db2.gz QCCOURBZOXTAHL-UHFFFAOYSA-N 1 0 317.349 1.153 20 5 DDBDRO COC[C@]1(c2nc(Cc3ccccc3[N+](=O)[O-])no2)CC[NH2+]C1 ZINC000822646799 704995966 /nfs/dbraw/zinc/99/59/66/704995966.db2.gz KDPLEMKTCHMHCT-HNNXBMFYSA-N 1 0 318.333 1.446 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1-c1noc(C[C@@H]2COCC[NH2+]2)n1 ZINC000822808024 705045896 /nfs/dbraw/zinc/04/58/96/705045896.db2.gz OIDAHAMMGHHUGP-SNVBAGLBSA-N 1 0 304.306 1.484 20 5 DDBDRO Cc1c(Cc2noc(C[C@H]3COCC[NH2+]3)n2)cccc1[N+](=O)[O-] ZINC000822861672 705063448 /nfs/dbraw/zinc/06/34/48/705063448.db2.gz DHUMALIDSLSYQB-LBPRGKRZSA-N 1 0 318.333 1.408 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)c1[N+](=O)[O-] ZINC000874839960 705195772 /nfs/dbraw/zinc/19/57/72/705195772.db2.gz YOHLHBPDTOZNQS-MNOVXSKESA-N 1 0 321.381 1.750 20 5 DDBDRO CCC[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000823921354 705340127 /nfs/dbraw/zinc/34/01/27/705340127.db2.gz SYKUTGBXWHAQEH-LLVKDONJSA-N 1 0 307.354 1.783 20 5 DDBDRO COC1([C@@H](C)[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000834570612 707088415 /nfs/dbraw/zinc/08/84/15/707088415.db2.gz IXPSCVKFRMNJST-IUODEOHRSA-N 1 0 324.377 1.802 20 5 DDBDRO O=C(N[C@H]1C[C@@H]([NH+]2CCCC2)C1)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000824112236 705377851 /nfs/dbraw/zinc/37/78/51/705377851.db2.gz QBROOKMOTXULKI-CFVMTHIKSA-N 1 0 319.361 1.371 20 5 DDBDRO CO[C@H]1C[N@H+](C)[C@@](C)(COC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000861340623 705433496 /nfs/dbraw/zinc/43/34/96/705433496.db2.gz KGMBBXXQNQFZRZ-UKRRQHHQSA-N 1 0 308.334 1.861 20 5 DDBDRO CO[C@@H]1C[N@H+](C)[C@@](C)(COC(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC000861342995 705434997 /nfs/dbraw/zinc/43/49/97/705434997.db2.gz FZEDVKNEXREHRF-SMDDNHRTSA-N 1 0 311.338 1.199 20 5 DDBDRO CO[C@H]1C[N@H+](C)[C@@](C)(COC(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC000861342992 705435141 /nfs/dbraw/zinc/43/51/41/705435141.db2.gz FZEDVKNEXREHRF-BXUZGUMPSA-N 1 0 311.338 1.199 20 5 DDBDRO [NH3+]C[C@H]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000825188188 705619808 /nfs/dbraw/zinc/61/98/08/705619808.db2.gz GZXVPSDZXUQZPM-WCBMZHEXSA-N 1 0 308.294 1.360 20 5 DDBDRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825379942 705658678 /nfs/dbraw/zinc/65/86/78/705658678.db2.gz UECFAZGVPIEYPG-NHYWBVRUSA-N 1 0 319.361 1.229 20 5 DDBDRO C[NH+]1CCC(CNC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000825574932 705695684 /nfs/dbraw/zinc/69/56/84/705695684.db2.gz FRNXVHLDONKWDO-AWEZNQCLSA-N 1 0 307.350 1.086 20 5 DDBDRO COc1cncc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])c1 ZINC000825903832 705743579 /nfs/dbraw/zinc/74/35/79/705743579.db2.gz TXGVOOMNOOBXRE-UHFFFAOYSA-N 1 0 302.334 1.964 20 5 DDBDRO O=C(/C=C\[C@@H]1CCC[NH2+]C1)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000876658520 705805938 /nfs/dbraw/zinc/80/59/38/705805938.db2.gz YCAIOOBIZBQPBI-SYAFZNNESA-N 1 0 319.361 1.646 20 5 DDBDRO CC[NH+](CC)[C@H]1CCN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000826643330 705833061 /nfs/dbraw/zinc/83/30/61/705833061.db2.gz MIJIYVUCQQIIHB-LSDHHAIUSA-N 1 0 321.377 1.571 20 5 DDBDRO O=C(NCC[N@H+]1CC[C@@H](O)C1)c1cc([N+](=O)[O-])ccc1Cl ZINC000863329198 705903324 /nfs/dbraw/zinc/90/33/24/705903324.db2.gz MHTGQTBMHZJBBG-SNVBAGLBSA-N 1 0 313.741 1.045 20 5 DDBDRO CNc1nccc(C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000827252912 705960582 /nfs/dbraw/zinc/96/05/82/705960582.db2.gz ALTDZYPUZWNRQK-JQWIXIFHSA-N 1 0 319.365 1.198 20 5 DDBDRO C[N@@H+]1CC[C@H]2CN(C(=O)Cc3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000827374737 705988949 /nfs/dbraw/zinc/98/89/49/705988949.db2.gz PPCLBPGGUZHLBR-KBPBESRZSA-N 1 0 303.362 1.690 20 5 DDBDRO COC(=O)c1ccc(-c2cnn3c2C[NH2+]CC3)c([N+](=O)[O-])c1 ZINC000863716018 705994071 /nfs/dbraw/zinc/99/40/71/705994071.db2.gz LURVHMUFJMNRFQ-UHFFFAOYSA-N 1 0 302.290 1.348 20 5 DDBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877285647 706048979 /nfs/dbraw/zinc/04/89/79/706048979.db2.gz WIMAONBKYJXQBK-CHWSQXEVSA-N 1 0 319.361 1.717 20 5 DDBDRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)c1cccc(Cl)c1[N+](=O)[O-])C2 ZINC000877379172 706086853 /nfs/dbraw/zinc/08/68/53/706086853.db2.gz NBIKYOOIHIIZHN-LKFCYVNXSA-N 1 0 309.753 1.930 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCCC12CC[NH2+]CC2 ZINC000877406188 706098492 /nfs/dbraw/zinc/09/84/92/706098492.db2.gz RXTVBIUAVHBVMZ-CQSZACIVSA-N 1 0 320.393 1.976 20 5 DDBDRO CCC1([NH+](C)C)CCN(C(=O)Cn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000828111051 706119790 /nfs/dbraw/zinc/11/97/90/706119790.db2.gz FIOTYBWYAXPUGH-UHFFFAOYSA-N 1 0 323.397 1.433 20 5 DDBDRO C[C@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)[C@H](O)C(F)(F)F ZINC000877693123 706180695 /nfs/dbraw/zinc/18/06/95/706180695.db2.gz BTYRCMQSQZRJPI-UNWHSVHXSA-N 1 0 308.260 1.396 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000864618772 706215212 /nfs/dbraw/zinc/21/52/12/706215212.db2.gz VNKZSTVINZAOMS-OAHLLOKOSA-N 1 0 308.382 1.770 20 5 DDBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH+]1CCC(CO)(CO)CC1 ZINC000877797943 706219187 /nfs/dbraw/zinc/21/91/87/706219187.db2.gz RKKNQBOOKXLJAZ-HYXAFXHYSA-N 1 0 306.362 1.675 20 5 DDBDRO COC(=O)CC[C@@H]1CCC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000877817798 706223857 /nfs/dbraw/zinc/22/38/57/706223857.db2.gz AHNDVMZMKSNQHY-NSHDSACASA-N 1 0 310.354 1.494 20 5 DDBDRO C[C@H]1C[C@@H]([NH2+][C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)CS1 ZINC000877829919 706226549 /nfs/dbraw/zinc/22/65/49/706226549.db2.gz AHVAYUFIEBNYJL-RMIQQSQVSA-N 1 0 312.391 1.473 20 5 DDBDRO C[NH+](C)CCOCCNc1cc(F)c([N+](=O)[O-])cc1CO ZINC000865661156 706490535 /nfs/dbraw/zinc/49/05/35/706490535.db2.gz XXYYTWKPDCAGIG-UHFFFAOYSA-N 1 0 301.318 1.216 20 5 DDBDRO CC(=O)c1ccc(N2CCC[C@@](O)(C[NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000865924917 706565328 /nfs/dbraw/zinc/56/53/28/706565328.db2.gz YAUPPIMTXJTLEZ-MRXNPFEDSA-N 1 0 321.377 1.690 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@H](c3nccs3)C2)c1 ZINC000880318444 706939563 /nfs/dbraw/zinc/93/95/63/706939563.db2.gz ZEQFUSSTOJCZJY-CMPLNLGQSA-N 1 0 323.378 1.098 20 5 DDBDRO CC1(C)C[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H]2COC[C@@H]21 ZINC000832779264 706982108 /nfs/dbraw/zinc/98/21/08/706982108.db2.gz XRTXKDJKJWBEET-RRFJBIMHSA-N 1 0 306.362 1.985 20 5 DDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCO[C@H]2CCOC2)n1 ZINC000927082248 712939443 /nfs/dbraw/zinc/93/94/43/712939443.db2.gz VYUAWLWHSFOSJT-MELADBBJSA-N 1 0 324.381 1.670 20 5 DDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872149163 707302982 /nfs/dbraw/zinc/30/29/82/707302982.db2.gz MKRRJWKLQGEKCZ-BFQNTYOBSA-N 1 0 318.377 1.463 20 5 DDBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000882492887 707663265 /nfs/dbraw/zinc/66/32/65/707663265.db2.gz CPQYDFHWOJCGNZ-QLFBSQMISA-N 1 0 303.362 1.909 20 5 DDBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000882493750 707664545 /nfs/dbraw/zinc/66/45/45/707664545.db2.gz LFJMYHMAUWVNDM-SECBINFHSA-N 1 0 311.313 1.567 20 5 DDBDRO COCCO[C@@H]1COCC[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000873109516 707733713 /nfs/dbraw/zinc/73/37/13/707733713.db2.gz VPKLWDDCLYOHNK-GDBMZVCRSA-N 1 0 324.377 1.813 20 5 DDBDRO C[C@@H]1COC[C@@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000896732490 708135086 /nfs/dbraw/zinc/13/50/86/708135086.db2.gz GNNSZTJDWRPHPQ-RISCZKNCSA-N 1 0 306.366 1.583 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)c(F)c1 ZINC000897220527 708258674 /nfs/dbraw/zinc/25/86/74/708258674.db2.gz XCDXIFYUDIIXLQ-GJZGRUSLSA-N 1 0 309.341 1.769 20 5 DDBDRO C[C@H](NC(=O)C1C[NH+]([C@H]2CCOC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000897868008 708475122 /nfs/dbraw/zinc/47/51/22/708475122.db2.gz COEPJSTZROCZCN-NHYWBVRUSA-N 1 0 319.361 1.493 20 5 DDBDRO CC[NH+](CC)CCOC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000912587378 713040054 /nfs/dbraw/zinc/04/00/54/713040054.db2.gz MJDGQVFAYVQMAM-UHFFFAOYSA-N 1 0 324.333 1.880 20 5 DDBDRO Cc1ccc(C[NH+]2CCC(O)(COCCO)CC2)cc1[N+](=O)[O-] ZINC000886753621 708836972 /nfs/dbraw/zinc/83/69/72/708836972.db2.gz PRPKBTXIAHTIQR-UHFFFAOYSA-N 1 0 324.377 1.239 20 5 DDBDRO NC(=O)c1ccc(C[N@@H+]2CC[C@@H]([C@@H]3CCCO3)C2)c([N+](=O)[O-])c1 ZINC000886827923 708855257 /nfs/dbraw/zinc/85/52/57/708855257.db2.gz UFWDTHKRSMIRMS-HIFRSBDPSA-N 1 0 319.361 1.695 20 5 DDBDRO Cc1c(C(=O)N2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)cccc1[N+](=O)[O-] ZINC000887939330 709173235 /nfs/dbraw/zinc/17/32/35/709173235.db2.gz ZSCJPYNHUAJGKM-WBMJQRKESA-N 1 0 303.362 1.927 20 5 DDBDRO C[C@H](NC(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000900267541 709512440 /nfs/dbraw/zinc/51/24/40/709512440.db2.gz HQYHBQJVYCXDMH-ZBINZKHDSA-N 1 0 307.350 1.227 20 5 DDBDRO C[N@@H+]1CCC[C@@](O)(CC(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000900331140 709541825 /nfs/dbraw/zinc/54/18/25/709541825.db2.gz BUKMARVYYKJZJD-MRXNPFEDSA-N 1 0 321.377 1.100 20 5 DDBDRO CC[N@@H+]1CCCN(C(=O)CNc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000910288166 709868373 /nfs/dbraw/zinc/86/83/73/709868373.db2.gz NUBIMLHFIDMWIN-ZDUSSCGKSA-N 1 0 320.393 1.949 20 5 DDBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000891722568 710275765 /nfs/dbraw/zinc/27/57/65/710275765.db2.gz FWTLZLRJXKQVJJ-LSDHHAIUSA-N 1 0 318.377 1.673 20 5 DDBDRO C[NH+]1C[C@@]2(C)CN(C(=O)c3c(N)cccc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000913286076 713191692 /nfs/dbraw/zinc/19/16/92/713191692.db2.gz YRDFMULBILLXLT-HOTGVXAUSA-N 1 0 318.377 1.591 20 5 DDBDRO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)CCN1c1cc[nH+]cc1 ZINC000893446888 710658162 /nfs/dbraw/zinc/65/81/62/710658162.db2.gz BATOSPCRWMXOSR-LLVKDONJSA-N 1 0 316.317 1.934 20 5 DDBDRO COc1cc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000928457578 713205510 /nfs/dbraw/zinc/20/55/10/713205510.db2.gz XJIMFBWRCBCTSG-MWLCHTKSSA-N 1 0 323.349 1.434 20 5 DDBDRO O=C(c1ccc2c(c1[N+](=O)[O-])OCCCO2)N1CCC[NH2+]CC1 ZINC000911656762 710910048 /nfs/dbraw/zinc/91/00/48/710910048.db2.gz SOPBGYVXPFAEHZ-UHFFFAOYSA-N 1 0 321.333 1.192 20 5 DDBDRO CC(C)(C[NH3+])CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000911973657 711098404 /nfs/dbraw/zinc/09/84/04/711098404.db2.gz NOBYOXWXAJHHOH-UHFFFAOYSA-N 1 0 320.393 1.618 20 5 DDBDRO C[C@@H]1[NH2+]CCn2c(C(=O)NCc3cccc([N+](=O)[O-])c3)ccc21 ZINC000912262714 711250406 /nfs/dbraw/zinc/25/04/06/711250406.db2.gz YUMDGPJIJPBYBO-NSHDSACASA-N 1 0 314.345 1.991 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000894758763 711262001 /nfs/dbraw/zinc/26/20/01/711262001.db2.gz RJBQFCFXXZDXGP-UHFFFAOYSA-N 1 0 309.370 1.019 20 5 DDBDRO COc1cc(CNC[C@@H]2C[NH2+]C[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000903964248 711349523 /nfs/dbraw/zinc/34/95/23/711349523.db2.gz GHUFGQLVFSHCRQ-PWSUYJOCSA-N 1 0 309.366 1.557 20 5 DDBDRO CC(C)Oc1nc(N2CC[C@@](O)(C[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000895010655 711366283 /nfs/dbraw/zinc/36/62/83/711366283.db2.gz UOWOLCFZFUEHBL-OAHLLOKOSA-N 1 0 324.381 1.280 20 5 DDBDRO CCC[C@H]1CN(c2cc(C(=O)OC)ccc2[N+](=O)[O-])CC[NH2+]1 ZINC000895056558 711390069 /nfs/dbraw/zinc/39/00/69/711390069.db2.gz ADNPVUIRFPUCIJ-LBPRGKRZSA-N 1 0 307.350 1.960 20 5 DDBDRO C[C@H](Nc1ncc([N+](=O)[O-])cc1Cl)[C@@H]1C[N@H+](C)CCN1C ZINC000895248477 711465142 /nfs/dbraw/zinc/46/51/42/711465142.db2.gz LYUYYPNWFLNRFB-CABZTGNLSA-N 1 0 313.789 1.689 20 5 DDBDRO C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000895265716 711471689 /nfs/dbraw/zinc/47/16/89/711471689.db2.gz BLERNPONHNKVDG-ZDUSSCGKSA-N 1 0 320.393 1.954 20 5 DDBDRO CC(C)(C)[N@@H+]1CC[C@H]1C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000895486818 711524911 /nfs/dbraw/zinc/52/49/11/711524911.db2.gz JMTWTBFIUKGBMF-AWEZNQCLSA-N 1 0 320.393 1.996 20 5 DDBDRO COCC[N@H+](C)CCCNC(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000895713018 711585519 /nfs/dbraw/zinc/58/55/19/711585519.db2.gz HOHMYRCYDFLTEO-UHFFFAOYSA-N 1 0 323.393 1.910 20 5 DDBDRO CCOC(=O)Cc1ccc(NC[C@H]2CC[N@@H+]2C)c([N+](=O)[O-])c1 ZINC000895769262 711601062 /nfs/dbraw/zinc/60/10/62/711601062.db2.gz PPXNQJDCLKOESK-GFCCVEGCSA-N 1 0 307.350 1.816 20 5 DDBDRO C[C@@H](NC(=O)c1ccc(F)cc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCN1C ZINC000896554428 711749780 /nfs/dbraw/zinc/74/97/80/711749780.db2.gz FLPQDDBXTWJUFP-YGRLFVJLSA-N 1 0 324.356 1.098 20 5 DDBDRO COC[C@@H]1C[NH2+]CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000904420832 711855688 /nfs/dbraw/zinc/85/56/88/711855688.db2.gz HTXLIQLMNQDUOD-LBPRGKRZSA-N 1 0 308.338 1.355 20 5 DDBDRO C[C@@H]1[C@H](NC(=O)NCCc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000914325476 713378771 /nfs/dbraw/zinc/37/87/71/713378771.db2.gz LECWURGBXPVETF-BXUZGUMPSA-N 1 0 306.366 1.529 20 5 DDBDRO C[N@@H+]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000918395371 713541206 /nfs/dbraw/zinc/54/12/06/713541206.db2.gz PFGDKGPWFWTKKD-SNVBAGLBSA-N 1 0 308.294 1.327 20 5 DDBDRO Cc1cn(C)nc1CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000929987098 713729076 /nfs/dbraw/zinc/72/90/76/713729076.db2.gz JCBMSNREBKPVOM-LBPRGKRZSA-N 1 0 316.365 1.718 20 5 DDBDRO Cc1cn(C)nc1CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000929987097 713729173 /nfs/dbraw/zinc/72/91/73/713729173.db2.gz JCBMSNREBKPVOM-GFCCVEGCSA-N 1 0 316.365 1.718 20 5 DDBDRO COc1ccc(CNC(=O)CC[NH2+]C(C)(C)C)cc1[N+](=O)[O-] ZINC000930338256 713807863 /nfs/dbraw/zinc/80/78/63/713807863.db2.gz JBTVTBZTRXKSFS-UHFFFAOYSA-N 1 0 309.366 1.998 20 5 DDBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931281826 714056304 /nfs/dbraw/zinc/05/63/04/714056304.db2.gz ZLZDNYCNXDHLFR-BSLXNSKLSA-N 1 0 318.377 1.414 20 5 DDBDRO C[N@@H+]1CC[C@@H]2C[NH+](CCOc3cccc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC000931432745 714095879 /nfs/dbraw/zinc/09/58/79/714095879.db2.gz CAUAWBSBHZVATE-KGLIPLIRSA-N 1 0 305.378 1.857 20 5 DDBDRO C[C@@H]1CN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@H](C)C[NH2+]1 ZINC000923362860 714328019 /nfs/dbraw/zinc/32/80/19/714328019.db2.gz YTOFRACNBKUHFQ-JHJVBQTASA-N 1 0 309.366 1.017 20 5 DDBDRO C[C@]12C[NH2+]C[C@@]1(C)CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC000923409766 714346441 /nfs/dbraw/zinc/34/64/41/714346441.db2.gz SYKIIGBJUKDSCI-HRCADAONSA-N 1 0 305.378 1.560 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CCN1CC[N@@H+](C)C[C@H]1CC(C)C ZINC000933251079 714546979 /nfs/dbraw/zinc/54/69/79/714546979.db2.gz JJVCDCSFNCSVHN-CQSZACIVSA-N 1 0 309.414 1.762 20 5 DDBDRO CCC1(CC)CNC(=O)[C@H]1[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000933290184 714555550 /nfs/dbraw/zinc/55/55/50/714555550.db2.gz PGLPNGKWWZREKT-CQSZACIVSA-N 1 0 321.377 1.868 20 5 DDBDRO C[N@@H+](Cc1cccc(=O)[nH]1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000933397980 714582043 /nfs/dbraw/zinc/58/20/43/714582043.db2.gz HXHYBRIFAZRHCT-CQSZACIVSA-N 1 0 303.318 1.861 20 5 DDBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)Cn2c(C)ncc2[N+](=O)[O-])C1 ZINC000933796324 714671970 /nfs/dbraw/zinc/67/19/70/714671970.db2.gz KEVIDJIPZMWKIY-GFCCVEGCSA-N 1 0 309.370 1.042 20 5 DDBDRO O=[N+]([O-])c1ccc2ccnc(N3CCN4CC[NH2+]C[C@@H]4C3)c2c1 ZINC001164407393 718838300 /nfs/dbraw/zinc/83/83/00/718838300.db2.gz VSIYJTRHUXCAIP-CQSZACIVSA-N 1 0 313.361 1.237 20 5 DDBDRO C[N@@H+]1CCO[C@@H]2CN(c3ncnc4cc([N+](=O)[O-])ccc43)C[C@@H]21 ZINC001164667330 719389121 /nfs/dbraw/zinc/38/91/21/719389121.db2.gz NVBGKOPMJYIDNC-UONOGXRCSA-N 1 0 315.333 1.057 20 5 DDBDRO Cc1cc([N+](=O)[O-])cnc1N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001164965231 722067551 /nfs/dbraw/zinc/06/75/51/722067551.db2.gz GNWUWJXYBGUICV-GASCZTMLSA-N 1 0 318.377 1.598 20 5 DDBDRO COc1nc(-n2ccc3cc(C[NH3+])cnc32)nc(C)c1[N+](=O)[O-] ZINC001167305268 733116170 /nfs/dbraw/zinc/11/61/70/733116170.db2.gz WIPWRTUWOASZHP-UHFFFAOYSA-N 1 0 314.305 1.499 20 5 DDBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccccc2Cl)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001022063741 734368198 /nfs/dbraw/zinc/36/81/98/734368198.db2.gz KSBWPOAKKSSRDK-GFQSEFKGSA-N 1 0 323.780 1.742 20 5 DDBDRO Cc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cc1C ZINC001022064157 734369037 /nfs/dbraw/zinc/36/90/37/734369037.db2.gz YSNDLVZKMIXAQD-QKPAOTATSA-N 1 0 317.389 1.705 20 5 DDBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)c1cnco1 ZINC001022513650 734576611 /nfs/dbraw/zinc/57/66/11/734576611.db2.gz RXPMKEJDCGJTSU-TXEJJXNPSA-N 1 0 316.317 1.633 20 5 DDBDRO CC(C)(C)OCC(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001125955629 737924907 /nfs/dbraw/zinc/92/49/07/737924907.db2.gz AYYGGGXEZJOSRT-UHFFFAOYSA-N 1 0 309.366 1.616 20 5 DDBDRO CC(C)[N@H+](C)CC(=O)N(C)CCN(C)c1ccc([N+](=O)[O-])cn1 ZINC001105415330 741191145 /nfs/dbraw/zinc/19/11/45/741191145.db2.gz ONDKSDPKICTBFP-UHFFFAOYSA-N 1 0 323.397 1.225 20 5 DDBDRO CCC1(Nc2cc(OC)c(C(=O)OC)cc2[N+](=O)[O-])C[NH2+]C1 ZINC001168582723 751134509 /nfs/dbraw/zinc/13/45/09/751134509.db2.gz YLBWZLHENORHKC-UHFFFAOYSA-N 1 0 309.322 1.554 20 5 DDBDRO CC1(C)CC(C[NH2+]CC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)C1 ZINC000997772121 751269089 /nfs/dbraw/zinc/26/90/89/751269089.db2.gz LHEXSBGTNSQHHL-HUUCEWRRSA-N 1 0 323.437 1.916 20 5 DDBDRO Cn1cc(Br)c(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)n1 ZINC001168979195 762147988 /nfs/dbraw/zinc/14/79/88/762147988.db2.gz WZVHRNJBZUPGNL-IUCAKERBSA-N 1 0 317.187 1.718 20 5 DDBDRO CCOC(=O)c1cccc(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)n1 ZINC001168979873 762148599 /nfs/dbraw/zinc/14/85/99/762148599.db2.gz BSKSXPPPUDGBBY-NEPJUHHUSA-N 1 0 307.350 1.793 20 5 DDBDRO COC(=O)C[C@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1cccnc1 ZINC001168985254 762152504 /nfs/dbraw/zinc/15/25/04/762152504.db2.gz SDMBTSAVTRIGQE-YUTCNCBUSA-N 1 0 307.350 1.721 20 5 DDBDRO CN(CC[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)C(=O)OC(C)(C)C ZINC001168957448 762154007 /nfs/dbraw/zinc/15/40/07/762154007.db2.gz HLDPHXJEJIATHQ-RYUDHWBXSA-N 1 0 301.387 1.888 20 5 DDBDRO O=C(c1cccnc1)N1CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169036167 762191878 /nfs/dbraw/zinc/19/18/78/762191878.db2.gz FNLISIKGOOBCLJ-DZGCQCFKSA-N 1 0 318.377 1.285 20 5 DDBDRO CCOC(=O)C1(Nc2nc(C)ccc2[N+](=O)[O-])CC[NH+](C)CC1 ZINC001169492490 762479685 /nfs/dbraw/zinc/47/96/85/762479685.db2.gz VBQCQPPLSLIKKO-UHFFFAOYSA-N 1 0 322.365 1.738 20 5 DDBDRO C[NH+](C)CCC(=O)N[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC001097251480 757033897 /nfs/dbraw/zinc/03/38/97/757033897.db2.gz CQWALTWICBZECM-PHIMTYICSA-N 1 0 307.354 1.001 20 5 DDBDRO O=[N+]([O-])c1ccn(C2CC[NH+](CCO[C@H]3CCOC3)CC2)n1 ZINC001119854887 758098866 /nfs/dbraw/zinc/09/88/66/758098866.db2.gz IVFGBWXIDWQWGH-ZDUSSCGKSA-N 1 0 310.354 1.234 20 5 DDBDRO C[NH+](C)C[C@H]1COCCN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC001154960746 759770124 /nfs/dbraw/zinc/77/01/24/759770124.db2.gz GYNBWXPBZKWVTL-JTQLQIEISA-N 1 0 300.746 1.410 20 5 DDBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N(C)C2CC[NH2+]CC2)n1 ZINC001156171601 761841656 /nfs/dbraw/zinc/84/16/56/761841656.db2.gz FOSNXYRMFICSPD-UHFFFAOYSA-N 1 0 317.802 1.948 20 5 DDBDRO C[C@H](Nc1nc2c(cc1[N+](=O)[O-])CCCC2)[C@H]1C[NH2+]CCO1 ZINC001170568508 768179224 /nfs/dbraw/zinc/17/92/24/768179224.db2.gz IOMXDFURLZYDST-IINYFYTJSA-N 1 0 306.366 1.657 20 5 DDBDRO C[C@@H](Nc1ccc2nsnc2c1[N+](=O)[O-])[C@@H]1C[NH2+]CCO1 ZINC001170569547 768183081 /nfs/dbraw/zinc/18/30/81/768183081.db2.gz JOBMPRSXGLZGKS-XCBNKYQSSA-N 1 0 309.351 1.388 20 5 DDBDRO COc1ccc(C[C@H](C)[NH2+]C[C@H]2CNC(=O)C2)c([N+](=O)[O-])c1 ZINC001170307440 766258388 /nfs/dbraw/zinc/25/83/88/766258388.db2.gz FVLQCPPVYMDNGC-QWRGUYRKSA-N 1 0 307.350 1.260 20 5 DDBDRO COc1ccc(C[C@H](C)[NH2+]C2(CCO)COC2)c([N+](=O)[O-])c1 ZINC001170307063 766258833 /nfs/dbraw/zinc/25/88/33/766258833.db2.gz DJELLCQWKLCVQB-NSHDSACASA-N 1 0 310.350 1.275 20 5 DDBDRO CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[NH+](CC2CCCC2)CC1 ZINC001045437027 766305539 /nfs/dbraw/zinc/30/55/39/766305539.db2.gz ALSIEPNMHYUUSU-ZIAGYGMSSA-N 1 0 309.410 1.813 20 5 DDBDRO Cc1ncccc1C(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001133103166 769501366 /nfs/dbraw/zinc/50/13/66/769501366.db2.gz PZNGYHSCTQZJAN-UHFFFAOYSA-N 1 0 314.345 1.818 20 5 DDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@@H]2C[N@@H+](CC3CCCC3)C[C@@H]2C1 ZINC001048812701 769929726 /nfs/dbraw/zinc/92/97/26/769929726.db2.gz NVFZHLVAURWAGD-LXTVHRRPSA-N 1 0 307.394 1.232 20 5 DDBDRO CC[C@]([NH3+])(CO)Nc1cc(C)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001170857493 771754751 /nfs/dbraw/zinc/75/47/51/771754751.db2.gz JMSGASBGFHXYIB-OAHLLOKOSA-N 1 0 317.349 1.829 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC001136342455 771942592 /nfs/dbraw/zinc/94/25/92/771942592.db2.gz RAUSYUYVGUBVAY-LLVKDONJSA-N 1 0 307.350 1.675 20 5 DDBDRO CCc1cc(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])no1 ZINC001148321817 773435719 /nfs/dbraw/zinc/43/57/19/773435719.db2.gz KRVLMLKNSDGXOX-UHFFFAOYSA-N 1 0 318.333 1.665 20 5 DDBDRO [NH3+]C[C@@H]1COc2ccccc2N1c1c[n+]([O-])ccc1[N+](=O)[O-] ZINC001171392570 774363677 /nfs/dbraw/zinc/36/36/77/774363677.db2.gz GDZYXUKFWLNVCU-SNVBAGLBSA-N 1 0 302.290 1.086 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]C2(C(N)=O)CC2)c1F ZINC001173176039 777033940 /nfs/dbraw/zinc/03/39/40/777033940.db2.gz FTACPXBKRGQOPS-MRVPVSSYSA-N 1 0 311.313 1.281 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)n2nnc(CC[NH3+])n2)c1F ZINC001173179895 777035119 /nfs/dbraw/zinc/03/51/19/777035119.db2.gz RTFJVSCOJWOTNA-MRVPVSSYSA-N 1 0 324.316 1.034 20 5 DDBDRO COC(=O)[C@@H](CCCC[NH3+])N[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173218967 777050541 /nfs/dbraw/zinc/05/05/41/777050541.db2.gz UWMGNGCIVXCVAW-SWLSCSKDSA-N 1 0 323.393 1.786 20 5 DDBDRO COCC[NH+]1CCN([C@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173220670 777053473 /nfs/dbraw/zinc/05/34/73/777053473.db2.gz BTJQXFVHDRBTEV-CQSZACIVSA-N 1 0 307.394 1.790 20 5 DDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H]2CNC(=O)[C@H]2C1 ZINC001173233656 777063675 /nfs/dbraw/zinc/06/36/75/777063675.db2.gz LOPBLJNHFZVCOA-ZLDLUXBVSA-N 1 0 303.362 1.594 20 5 DDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1C[C@@H]2COC[C@H](C1)C2=O ZINC001173235931 777064717 /nfs/dbraw/zinc/06/47/17/777064717.db2.gz COELCGJQMNHIAM-BNOWGMLFSA-N 1 0 304.346 1.673 20 5 DDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)n1cncc1C[C@@H]([NH3+])CO ZINC001173235384 777064816 /nfs/dbraw/zinc/06/48/16/777064816.db2.gz SJYMYYAPVYEAAD-WCQYABFASA-N 1 0 304.350 1.457 20 5 DDBDRO CC(C)(C)[NH+]1CCN(C(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC001115893931 780460650 /nfs/dbraw/zinc/46/06/50/780460650.db2.gz RCALOPUKJZDTBV-UHFFFAOYSA-N 1 0 321.377 1.916 20 5 DDBDRO C[C@@H]1C[C@@H](NC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC001117797909 780902133 /nfs/dbraw/zinc/90/21/33/780902133.db2.gz MZAQQTIFSNKMQN-SCDSUCTJSA-N 1 0 307.350 1.227 20 5 DDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC001118256399 781077050 /nfs/dbraw/zinc/07/70/50/781077050.db2.gz SGMLTVCRQBICFG-SNVBAGLBSA-N 1 0 306.366 1.836 20 5 DDBDRO CN(CC[N@H+](C)CCO)C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC001119659006 781552140 /nfs/dbraw/zinc/55/21/40/781552140.db2.gz IWGYPXYOBNRXLB-UHFFFAOYSA-N 1 0 315.757 1.244 20 5 DDBDRO CN(CCC[NH2+]Cc1ccccc1F)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001268792035 840813795 /nfs/dbraw/zinc/81/37/95/840813795.db2.gz UNCBZRDTERWWAM-TZMCWYRMSA-N 1 0 309.341 1.429 20 5 DDBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N[C@H]1CCC[C@@H]([NH3+])C1 ZINC001154986574 861622639 /nfs/dbraw/zinc/62/26/39/861622639.db2.gz SUGANNQLZPZGIL-ZJUUUORDSA-N 1 0 308.338 1.848 20 5 DDBDRO CC(C)[NH+]1CCC(CCNC(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC001149820514 861919439 /nfs/dbraw/zinc/91/94/39/861919439.db2.gz PCOKAKRGTMJHMD-UHFFFAOYSA-N 1 0 309.370 1.558 20 5 DDBDRO Cc1ocnc1C(=O)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001155324384 861961120 /nfs/dbraw/zinc/96/11/20/861961120.db2.gz PQZLQUBPZNXHBY-UHFFFAOYSA-N 1 0 318.333 1.801 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)n1 ZINC001150120261 862098241 /nfs/dbraw/zinc/09/82/41/862098241.db2.gz UWVZJAYITBMNDV-OTYXRUKQSA-N 1 0 304.350 1.511 20 5 DDBDRO O=[N+]([O-])c1ccc2ncc(N[C@H]3COCCC34C[NH2+]C4)nc2c1 ZINC001155460870 862111546 /nfs/dbraw/zinc/11/15/46/862111546.db2.gz CNGFNHCNJRESQC-ZDUSSCGKSA-N 1 0 315.333 1.328 20 5 DDBDRO CCOc1nc(NCC[C@@H]2CCOC23C[NH2+]C3)ccc1[N+](=O)[O-] ZINC001155479168 862139156 /nfs/dbraw/zinc/13/91/56/862139156.db2.gz SCKVAZUAWUYLQA-LLVKDONJSA-N 1 0 322.365 1.569 20 5 DDBDRO O=C1C[C@@H]2[NH2+]CC[C@@]2(Nc2ccc3c(cccc3[N+](=O)[O-])n2)N1 ZINC001155568659 862234037 /nfs/dbraw/zinc/23/40/37/862234037.db2.gz AUIJNMQAHQGXFO-SWLSCSKDSA-N 1 0 313.317 1.133 20 5 DDBDRO Cc1ncc([N+](=O)[O-])c(NC[C@H]2CO[C@]3(C2)CCC[NH2+]C3)n1 ZINC001155597072 862274130 /nfs/dbraw/zinc/27/41/30/862274130.db2.gz LAWPVQYABHKSAP-FZMZJTMJSA-N 1 0 307.354 1.264 20 5 DDBDRO O=[N+]([O-])c1c[nH]c2ccc(N[C@@H]3CCO[C@]4(CC[NH2+]C4)C3)nc21 ZINC001155624026 862307344 /nfs/dbraw/zinc/30/73/44/862307344.db2.gz UZAVJPXWHHSVIW-MEBBXXQBSA-N 1 0 317.349 1.794 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCCNC(=O)/C=C\C(C)(C)C ZINC001155822261 862475706 /nfs/dbraw/zinc/47/57/06/862475706.db2.gz MGWHHGXGCCVKRI-SREVYHEPSA-N 1 0 323.397 1.527 20 5 DDBDRO Cc1cc([N+](=O)[O-])cnc1N(C)CCCNC(=O)CC[NH+](C)C ZINC001095732010 855177319 /nfs/dbraw/zinc/17/73/19/855177319.db2.gz HKNCCTAOUXGHHE-UHFFFAOYSA-N 1 0 323.397 1.192 20 5 DDBDRO O=C(NCCC[NH2+]C1CC1)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001122118246 858689807 /nfs/dbraw/zinc/68/98/07/858689807.db2.gz NHWYAHVONCZIDO-GJZGRUSLSA-N 1 0 303.362 1.957 20 5 DDBDRO O=C(NCCC[NH2+]C1CC1)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001122118249 858690266 /nfs/dbraw/zinc/69/02/66/858690266.db2.gz NHWYAHVONCZIDO-HUUCEWRRSA-N 1 0 303.362 1.957 20 5 DDBDRO C[C@@H]1CC[C@H](NC(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C[NH2+]1 ZINC001122171451 858702885 /nfs/dbraw/zinc/70/28/85/858702885.db2.gz JMPLVOJNYBNEII-WCUVEOEZSA-N 1 0 303.362 1.955 20 5 DDBDRO C[C@H](CNC(=O)[C@H]1[C@@H]2CC[NH2+]C[C@@H]21)c1ccccc1[N+](=O)[O-] ZINC001122267051 858731223 /nfs/dbraw/zinc/73/12/23/858731223.db2.gz JMAZJVGZVDVIFY-PBOSXPJTSA-N 1 0 303.362 1.670 20 5 DDBDRO COc1ccccc1CCCOC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001224410700 881378303 /nfs/dbraw/zinc/37/83/03/881378303.db2.gz SMHVKDBCUOCGIZ-OAHLLOKOSA-N 1 0 310.414 1.628 20 5 DDBDRO O=C(CCn1cccn1)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001123712800 859374657 /nfs/dbraw/zinc/37/46/57/859374657.db2.gz XMBQLGGRGUDLPN-UHFFFAOYSA-N 1 0 323.378 1.149 20 5 DDBDRO Cc1cc(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)nn1C ZINC001124278071 859662222 /nfs/dbraw/zinc/66/22/22/859662222.db2.gz PXLDBJPMJDUOCB-UHFFFAOYSA-N 1 0 317.349 1.156 20 5 DDBDRO Cc1ncc(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)[nH]1 ZINC001124818333 859821256 /nfs/dbraw/zinc/82/12/56/859821256.db2.gz DDILNFMXBVOBRM-UHFFFAOYSA-N 1 0 303.322 1.146 20 5 DDBDRO O=[N+]([O-])c1cc(Cl)[n+]([O-])c(N[C@H]2CC[N@@H+](C3CCC3)C2)c1 ZINC001161177480 859978873 /nfs/dbraw/zinc/97/88/73/859978873.db2.gz PLGUGTBNDPHOKC-VIFPVBQESA-N 1 0 312.757 1.920 20 5 DDBDRO CC(C)(C)OC(=O)N1C[C@@H](OCC[N+](C)(C)C)C(F)(F)C1 ZINC001224772254 881528194 /nfs/dbraw/zinc/52/81/94/881528194.db2.gz XWZQUECAVYVXLM-LLVKDONJSA-N 1 0 309.377 1.964 20 5 DDBDRO CSc1nc(Cl)nc(N2CC[NH2+][C@H](C)C2)c1[N+](=O)[O-] ZINC001156691751 863268537 /nfs/dbraw/zinc/26/85/37/863268537.db2.gz CKNDQNSOUWIXSS-ZCFIWIBFSA-N 1 0 303.775 1.558 20 5 DDBDRO CSc1nc(Cl)nc(-n2ccc(CC[NH3+])n2)c1[N+](=O)[O-] ZINC001156898580 863428214 /nfs/dbraw/zinc/42/82/14/863428214.db2.gz RTVYHNKDCMDESR-UHFFFAOYSA-N 1 0 314.758 1.447 20 5 DDBDRO O=c1c([N+](=O)[O-])cc(Br)cn1C[C@@H]1CCC[NH2+]C1 ZINC001329271552 863572598 /nfs/dbraw/zinc/57/25/98/863572598.db2.gz AQTZXPIXASJANQ-MRVPVSSYSA-N 1 0 316.155 1.519 20 5 DDBDRO C[NH+]1CCC(CCO)(NC(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC001153333446 863832077 /nfs/dbraw/zinc/83/20/77/863832077.db2.gz RITYIYBRVJPMBJ-UHFFFAOYSA-N 1 0 313.379 1.233 20 5 DDBDRO CCC[NH+]1C[C@@H]2CN(c3ncc(OC)cc3[N+](=O)[O-])C[C@H]2C1 ZINC001157692234 864053881 /nfs/dbraw/zinc/05/38/81/864053881.db2.gz VDMQLDWDDMHYAV-VXGBXAGGSA-N 1 0 306.366 1.776 20 5 DDBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CCC[C@H]([NH3+])[C@@H]1C ZINC001157742557 864092753 /nfs/dbraw/zinc/09/27/53/864092753.db2.gz FFUGBAABLNDOTF-CABZTGNLSA-N 1 0 308.338 1.483 20 5 DDBDRO CCOC(=O)c1ccnc(N2CC[C@](F)(C[NH3+])C2)c1[N+](=O)[O-] ZINC001157816070 864167784 /nfs/dbraw/zinc/16/77/84/864167784.db2.gz AWQSWMIYMUEGLK-ZDUSSCGKSA-N 1 0 312.301 1.044 20 5 DDBDRO Cc1nnc(C[NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])n1C ZINC001330354632 864266881 /nfs/dbraw/zinc/26/68/81/864266881.db2.gz OTIALSLMFQTJEX-VIFPVBQESA-N 1 0 307.329 1.892 20 5 DDBDRO Cc1c[nH+]ccc1N1CCN(c2ncc([N+](=O)[O-])cc2N)CC1 ZINC001158107921 864433337 /nfs/dbraw/zinc/43/33/37/864433337.db2.gz LIZZPPSNLGRTSF-UHFFFAOYSA-N 1 0 314.349 1.602 20 5 DDBDRO CSc1nc(Cl)nc(N2C[C@@H](C)[NH2+][C@@H](C)C2)c1[N+](=O)[O-] ZINC001158176884 864471517 /nfs/dbraw/zinc/47/15/17/864471517.db2.gz GUARZLSYGZLPAI-KNVOCYPGSA-N 1 0 317.802 1.947 20 5 DDBDRO COc1cc(NCc2ncn3c2C[NH2+]CCC3)ncc1[N+](=O)[O-] ZINC001158359022 864602250 /nfs/dbraw/zinc/60/22/50/864602250.db2.gz DHJZLWAHQHQQED-UHFFFAOYSA-N 1 0 318.337 1.300 20 5 DDBDRO CO[C@@H]1CN(c2ccc(-c3ccccc3[N+](=O)[O-])nn2)C[C@@H]1[NH3+] ZINC001158712857 864841181 /nfs/dbraw/zinc/84/11/81/864841181.db2.gz QILGOWKPQWOOIE-SMDDNHRTSA-N 1 0 315.333 1.214 20 5 DDBDRO C[N@H+](C1CN(c2ncc([N+](=O)[O-])cc2Cl)C1)[C@H]1CCOC1 ZINC001158726765 864860593 /nfs/dbraw/zinc/86/05/93/864860593.db2.gz SYHIYCJPNIKKKD-VIFPVBQESA-N 1 0 312.757 1.553 20 5 DDBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CCC2(C[NH2+]C2)CC1 ZINC001159042837 865067278 /nfs/dbraw/zinc/06/72/78/865067278.db2.gz LMRRTNLZLHOYDQ-UHFFFAOYSA-N 1 0 320.349 1.356 20 5 DDBDRO Cc1c(CC[NH3+])c(=O)[nH]n1-c1nc(Cl)cc(C)c1[N+](=O)[O-] ZINC001159293241 865207601 /nfs/dbraw/zinc/20/76/01/865207601.db2.gz DGVMXGLTHJORGB-UHFFFAOYSA-N 1 0 311.729 1.653 20 5 DDBDRO CC[N@H+](C)[C@@H]1CCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC001225483849 881863170 /nfs/dbraw/zinc/86/31/70/881863170.db2.gz KAXNZSKGNLBXLB-OAHLLOKOSA-N 1 0 320.393 1.873 20 5 DDBDRO Cc1cc(N[C@H]2C[NH2+]C[C@H]2CO)nc2ccc([N+](=O)[O-])cc12 ZINC001159671297 865459472 /nfs/dbraw/zinc/45/94/72/865459472.db2.gz JFNQCZMYIUJROT-HZMBPMFUSA-N 1 0 302.334 1.444 20 5 DDBDRO O=[N+]([O-])c1cnn(Cc2nc([C@@H]3C[NH+]4CCC3CC4)no2)c1 ZINC001320496679 866778450 /nfs/dbraw/zinc/77/84/50/866778450.db2.gz SKUNDZWSAWLDIB-LLVKDONJSA-N 1 0 304.310 1.032 20 5 DDBDRO COc1nc(C)c(N[C@@H](C)CN2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC001162097111 867249274 /nfs/dbraw/zinc/24/92/74/867249274.db2.gz GZLKYBFDRRPXJW-JTQLQIEISA-N 1 0 309.370 1.012 20 5 DDBDRO C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC001321047842 867260430 /nfs/dbraw/zinc/26/04/30/867260430.db2.gz AEOFCOMMVLIQFH-NEPJUHHUSA-N 1 0 307.354 1.175 20 5 DDBDRO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CC[C@@](O)(C3CC3)C1)OCCO2 ZINC001321356382 867525610 /nfs/dbraw/zinc/52/56/10/867525610.db2.gz FGHNWRITLOPFIH-INIZCTEOSA-N 1 0 320.345 1.713 20 5 DDBDRO C[C@@H]1C[NH2+]CCC[C@H]1CNc1ncnc2[nH]cc([N+](=O)[O-])c21 ZINC001162462642 867552522 /nfs/dbraw/zinc/55/25/22/867552522.db2.gz WOFJJHZOXHEMSZ-ZJUUUORDSA-N 1 0 304.354 1.865 20 5 DDBDRO C[C@@H]([NH3+])c1nc2ccccc2n1-c1cc([N+](=O)[O-])c(=O)n(C)c1 ZINC001162766510 867807359 /nfs/dbraw/zinc/80/73/59/867807359.db2.gz OVICJURLTFMRSK-SECBINFHSA-N 1 0 313.317 1.652 20 5 DDBDRO COc1nc(C)nc(N2C[C@H]([NH3+])Cc3ccccc32)c1[N+](=O)[O-] ZINC001162845797 867863283 /nfs/dbraw/zinc/86/32/83/867863283.db2.gz VVBIGKZMCYDMBL-LLVKDONJSA-N 1 0 315.333 1.723 20 5 DDBDRO C[NH+](C)[C@@H]1C[C@H](NC(=O)COc2cccc([N+](=O)[O-])c2)C1(C)C ZINC001162904419 867910941 /nfs/dbraw/zinc/91/09/41/867910941.db2.gz IHAUFWWMGFLATG-UONOGXRCSA-N 1 0 321.377 1.819 20 5 DDBDRO NC1=CC=C(C2CCN(c3cccc([N+](=O)[O-])n3)CC2)[NH2+]C1 ZINC001163131353 868138948 /nfs/dbraw/zinc/13/89/48/868138948.db2.gz UBHYJYSHPGAGMR-UHFFFAOYSA-N 1 0 301.350 1.536 20 5 DDBDRO Cc1cnc(C[NH2+]CCCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])s1 ZINC001322504633 868210286 /nfs/dbraw/zinc/21/02/86/868210286.db2.gz BREDFHGCUVZWHW-GHMZBOCLSA-N 1 0 312.395 1.055 20 5 DDBDRO COCCN1CCC[C@@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001335345570 868240737 /nfs/dbraw/zinc/24/07/37/868240737.db2.gz NELKGXZZKHKZQJ-ZBFHGGJFSA-N 1 0 323.393 1.329 20 5 DDBDRO CN1CC[C@H](C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1=O ZINC001335353914 868244623 /nfs/dbraw/zinc/24/46/23/868244623.db2.gz VMSJKWJWMMKQTI-SMDDNHRTSA-N 1 0 307.350 1.086 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1N[C@]12CC[NH2+][C@@H]1CC(=O)N2 ZINC001163246729 868253258 /nfs/dbraw/zinc/25/32/58/868253258.db2.gz BFCMAQIPUGVVPJ-IAQYHMDHSA-N 1 0 304.350 1.510 20 5 DDBDRO O=C1C[C@@H]2[NH2+]CC[C@@]2(Nc2cc3ccccc3c([N+](=O)[O-])c2)N1 ZINC001163255261 868266453 /nfs/dbraw/zinc/26/64/53/868266453.db2.gz UVCCQEZEILCMEA-GOEBONIOSA-N 1 0 312.329 1.738 20 5 DDBDRO COc1ccc(NC[C@H]2CO[C@]3(C2)CCC[NH2+]C3)nc1[N+](=O)[O-] ZINC001163272258 868291063 /nfs/dbraw/zinc/29/10/63/868291063.db2.gz UXIJWWPOBMAIPR-NHYWBVRUSA-N 1 0 322.365 1.569 20 5 DDBDRO Nc1ccnc(NC[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)c1[N+](=O)[O-] ZINC001163281321 868306496 /nfs/dbraw/zinc/30/64/96/868306496.db2.gz WRPDBOHOWRFMGC-YGRLFVJLSA-N 1 0 307.354 1.143 20 5 DDBDRO O=[N+]([O-])c1c(Cl)ncnc1N[C@H]1CCO[C@]2(CC[NH2+]C2)C1 ZINC001163304977 868329872 /nfs/dbraw/zinc/32/98/72/868329872.db2.gz KEJQAKZZJLLMQP-QPUJVOFHSA-N 1 0 313.745 1.361 20 5 DDBDRO O=[N+]([O-])c1ccnc(Cl)c1N[C@H]1CCO[C@]2(CC[NH2+]C2)C1 ZINC001163308152 868334222 /nfs/dbraw/zinc/33/42/22/868334222.db2.gz BCHXODMSLFLBCM-TVQRCGJNSA-N 1 0 312.757 1.966 20 5 DDBDRO COc1ccc([N+](=O)[O-])nc1N[C@H]1CCCC[C@@]12C[NH2+]CCO2 ZINC001163649583 868592184 /nfs/dbraw/zinc/59/21/84/868592184.db2.gz AKODAENYTRWLMQ-SWLSCSKDSA-N 1 0 322.365 1.712 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H]2CCn3cncc3C2)c1 ZINC001336016246 868681285 /nfs/dbraw/zinc/68/12/85/868681285.db2.gz DNWZGBSQDVQGAH-SWLSCSKDSA-N 1 0 302.334 1.429 20 5 DDBDRO C[C@@H]([NH2+]C1(CNCC[N+](=O)[O-])CCOCC1)c1ccccc1 ZINC001336777893 869134084 /nfs/dbraw/zinc/13/40/84/869134084.db2.gz CBWBSILDHBYMJL-CQSZACIVSA-N 1 0 307.394 1.753 20 5 DDBDRO [NH3+][C@H]1CN(C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)C[C@H]1F ZINC001165118526 869387695 /nfs/dbraw/zinc/38/76/95/869387695.db2.gz ICMSWAIZZQDBBM-RITPCOANSA-N 1 0 310.663 1.674 20 5 DDBDRO COc1nc(C)nc(NCC[C@@H]2CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC001165261681 869474538 /nfs/dbraw/zinc/47/45/38/869474538.db2.gz RXMFCQKTEYPRGL-NSHDSACASA-N 1 0 309.370 1.846 20 5 DDBDRO O=C1NCCN(c2ccc3ccc4cccnc4c3n2)C12C[NH2+]C2 ZINC001165298050 869504481 /nfs/dbraw/zinc/50/44/81/869504481.db2.gz PNTCDBBPZRCZAP-UHFFFAOYSA-N 1 0 319.368 1.061 20 5 DDBDRO COc1cc2ncnc(N3C[C@@H]4C[C@]4([NH3+])C3)c2cc1[N+](=O)[O-] ZINC001165315948 869513876 /nfs/dbraw/zinc/51/38/76/869513876.db2.gz VICZFEGPZTWJON-RTHLEPHNSA-N 1 0 301.306 1.084 20 5 DDBDRO O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1N1CCC(C2C[NH2+]C2)CC1 ZINC001165411349 869577180 /nfs/dbraw/zinc/57/71/80/869577180.db2.gz TZADRNMOYOBYND-UHFFFAOYSA-N 1 0 312.757 1.317 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCCNC(=O)C1CC2(CC2)C1 ZINC001166370865 869970879 /nfs/dbraw/zinc/97/08/79/869970879.db2.gz KXBGEKNQMXLAJN-UHFFFAOYSA-N 1 0 321.381 1.114 20 5 DDBDRO N=c1nc([C@H]2CCC[NH2+]2)ccn1-c1nccc(Cl)c1[N+](=O)[O-] ZINC001166700156 870166882 /nfs/dbraw/zinc/16/68/82/870166882.db2.gz IDUVFOPHNGTIKS-SECBINFHSA-N 1 0 320.740 1.733 20 5 DDBDRO O=C(N[C@H]1C[C@H]([NH2+]C/C=C/c2ccccc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001317076036 870206767 /nfs/dbraw/zinc/20/67/67/870206767.db2.gz LIMVVEIMNPSBKN-SPVDZKOFSA-N 1 0 315.373 1.602 20 5 DDBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N2C[C@@H]([NH3+])[C@@H](F)C2)n1 ZINC001166927485 870386366 /nfs/dbraw/zinc/38/63/66/870386366.db2.gz AWMFJDCUWFOVOX-CRCLSJGQSA-N 1 0 307.738 1.246 20 5 DDBDRO C[N@@H+]1C[C@@H]2CC[C@@H](Nc3ccc([N+](=O)[O-])c4nonc43)[C@@H]2C1 ZINC001339997591 870829581 /nfs/dbraw/zinc/82/95/81/870829581.db2.gz DRMXPZKIRXRUST-IVZWLZJFSA-N 1 0 303.322 1.883 20 5 DDBDRO Cc1cc(F)cc(C(=O)N2CCC3(C[NH2+]C3)CC2)c1[N+](=O)[O-] ZINC001340574620 871203925 /nfs/dbraw/zinc/20/39/25/871203925.db2.gz WDKKGDCLLNDSDK-UHFFFAOYSA-N 1 0 307.325 1.868 20 5 DDBDRO [NH3+][C@@H]1CN(C(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC[C@H]1F ZINC001340659558 871264020 /nfs/dbraw/zinc/26/40/20/871264020.db2.gz HDWDBSGBOPZFHI-IGQOVBAYSA-N 1 0 307.325 1.596 20 5 DDBDRO CCC(=O)c1ccc(N2CC([NH2+][C@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC001307217767 871410717 /nfs/dbraw/zinc/41/07/17/871410717.db2.gz RJNJEKZFHMCCFR-LBPRGKRZSA-N 1 0 319.361 1.755 20 5 DDBDRO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@@H](CO)[C@H](CCO)C2)cc1Cl ZINC001308983840 871542926 /nfs/dbraw/zinc/54/29/26/871542926.db2.gz UYLYCMNRPSDHLG-NEPJUHHUSA-N 1 0 314.769 1.671 20 5 DDBDRO CCC(C)(C)[NH+]1CCN(c2nnc([C@@H](C)[N+](=O)[O-])n2C)CC1 ZINC001341358497 871619525 /nfs/dbraw/zinc/61/95/25/871619525.db2.gz GVMRWMHKKFXSOL-LLVKDONJSA-N 1 0 310.402 1.463 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H]1CCCC[C@H]1[NH+](C)C ZINC001318413685 872016947 /nfs/dbraw/zinc/01/69/47/872016947.db2.gz NXTPSJUIXPBUBR-NWDGAFQWSA-N 1 0 309.370 1.089 20 5 DDBDRO C[C@@H]1C[NH2+]C[C@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC001342432601 872206909 /nfs/dbraw/zinc/20/69/09/872206909.db2.gz XAMYXUFVNCWBBL-KOLCDFICSA-N 1 0 311.769 1.762 20 5 DDBDRO COc1cc(C(=O)N2CC[C@H](C[NH3+])[C@@H](C)C2)cc([N+](=O)[O-])c1C ZINC001342642619 872313228 /nfs/dbraw/zinc/31/32/28/872313228.db2.gz FBDCWFJVIYINBJ-CMPLNLGQSA-N 1 0 321.377 1.969 20 5 DDBDRO CCN(C(=O)CCNc1ccccc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC001342853100 872413853 /nfs/dbraw/zinc/41/38/53/872413853.db2.gz OXWSVAWFXINVKK-UHFFFAOYSA-N 1 0 320.393 1.997 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC[NH2+]CC2)c1 ZINC001342858610 872414810 /nfs/dbraw/zinc/41/48/10/872414810.db2.gz OGKAHIKKESBNFL-LLVKDONJSA-N 1 0 307.350 1.723 20 5 DDBDRO COc1ccc(NC(=O)NCC2([NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC001344497113 873022692 /nfs/dbraw/zinc/02/26/92/873022692.db2.gz QKWYVBHJQAZODB-UHFFFAOYSA-N 1 0 308.338 1.819 20 5 DDBDRO COc1c(C(=O)NC[C@H]2CCCC[N@@H+]2C)cccc1[N+](=O)[O-] ZINC001347505043 874165731 /nfs/dbraw/zinc/16/57/31/874165731.db2.gz UYUPAOMQENGKBS-LLVKDONJSA-N 1 0 307.350 1.818 20 5 DDBDRO O=C(Cn1ccc([N+](=O)[O-])n1)OC[C@@H]1CCC[N@@H+]1CC1CC1 ZINC001347981975 874328489 /nfs/dbraw/zinc/32/84/89/874328489.db2.gz CNYYNVPNIKGQBR-LBPRGKRZSA-N 1 0 308.338 1.209 20 5 DDBDRO C[N@@H+]1C[C@@H]2CC[C@@H](Nc3cc(F)c([N+](=O)[O-])cc3CO)[C@@H]2C1 ZINC001348566012 874636452 /nfs/dbraw/zinc/63/64/52/874636452.db2.gz UGPXSQJVIQVLJA-UFGOTCBOSA-N 1 0 309.341 1.978 20 5 DDBDRO COc1ccc2ncc([N+](=O)[O-])c(N3C[C@H]4C[NH2+]C[C@@H]4C3)c2c1 ZINC001349971269 875481227 /nfs/dbraw/zinc/48/12/27/875481227.db2.gz OFDXYCBXYLCTQX-GHMZBOCLSA-N 1 0 314.345 1.807 20 5 DDBDRO C[NH+](C)CCONC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC001351001678 876009291 /nfs/dbraw/zinc/00/92/91/876009291.db2.gz UDPSZASAHVWODP-UHFFFAOYSA-N 1 0 319.264 1.419 20 5 DDBDRO C[NH+](C)C1CN(C(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)C1 ZINC001353636660 877458331 /nfs/dbraw/zinc/45/83/31/877458331.db2.gz WACVAPWTPZCSGL-UHFFFAOYSA-N 1 0 314.345 1.716 20 5 DDBDRO C[C@]1(NC(=O)c2ccc([N+](=O)[O-])cc2N)C[NH+]2CCC1CC2 ZINC001300609005 877973617 /nfs/dbraw/zinc/97/36/17/877973617.db2.gz DATUVGCAMNLADV-HNNXBMFYSA-N 1 0 304.350 1.391 20 5 DDBDRO O=C([C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001355095192 878424056 /nfs/dbraw/zinc/42/40/56/878424056.db2.gz PXTRBVNIUZHVQC-XRGAULLZSA-N 1 0 315.373 1.766 20 5 DDBDRO CC[N@@H+]1CC[C@@H](N(C)c2nnc(CCC[N+](=O)[O-])n2C)[C@H](C)C1 ZINC001355391966 878532437 /nfs/dbraw/zinc/53/24/37/878532437.db2.gz NSEGMRIUYCCROB-CHWSQXEVSA-N 1 0 324.429 1.191 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1COCC[N@H+]1CC[C@@H](OC)C1 ZINC001223107833 880833206 /nfs/dbraw/zinc/83/32/06/880833206.db2.gz OKXQYYHHFIFQNX-CQSZACIVSA-N 1 0 310.350 1.841 20 5 DDBDRO COc1cc(C(C)=O)ccc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001228218282 883395281 /nfs/dbraw/zinc/39/52/81/883395281.db2.gz UGRSFZVGGCPTAH-CYBMUJFWSA-N 1 0 310.370 1.260 20 5 DDBDRO C[C@@H](C[N+](C)(C)C)Oc1nc2cc(Cl)ccc2c2nnnn21 ZINC001231170773 885321968 /nfs/dbraw/zinc/32/19/68/885321968.db2.gz TUEIVPWWKLNSQH-VIFPVBQESA-N 1 0 321.792 1.799 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccnc2cc(F)cnc21 ZINC001234891087 888241789 /nfs/dbraw/zinc/24/17/89/888241789.db2.gz VQXRTDNGTZIZHE-LLVKDONJSA-N 1 0 308.333 1.132 20 5 DDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CCNC[C@]12CC[NH2+]C2 ZINC001246620931 892743650 /nfs/dbraw/zinc/74/36/50/892743650.db2.gz BVICFCPIHXZQLG-XJKSGUPXSA-N 1 0 304.394 1.163 20 5 DDBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@H]2C[C@]23CC[NH2+]C3)n1 ZINC001247930246 893483651 /nfs/dbraw/zinc/48/36/51/893483651.db2.gz ZTCXWRFAFYWITB-OQPBUACISA-N 1 0 305.269 1.646 20 5 DDBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@H]2C[C@H]3CC[C@@H]2[NH2+]3)n1 ZINC001248961310 893784823 /nfs/dbraw/zinc/78/48/23/893784823.db2.gz OLWBUDWKWSVMRG-VGMNWLOBSA-N 1 0 305.269 1.787 20 5 DDBDRO COC(=O)CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254467489 896454504 /nfs/dbraw/zinc/45/45/04/896454504.db2.gz BWIGVYZJJPCDEU-UHFFFAOYSA-N 1 0 307.350 1.716 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCn3cnnc3)CC2)cc1 ZINC001254469149 896455772 /nfs/dbraw/zinc/45/57/72/896455772.db2.gz WAZJPXNUKUSDLI-UHFFFAOYSA-N 1 0 316.365 1.445 20 5 DDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])N(CC[NH3+])c1ncccn1 ZINC001254534722 896491856 /nfs/dbraw/zinc/49/18/56/896491856.db2.gz BXOMLCVGDFGCJW-LBPRGKRZSA-N 1 0 301.350 1.781 20 5 DDBDRO COC(=O)N1CCC[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254592157 896522128 /nfs/dbraw/zinc/52/21/28/896522128.db2.gz BUZGIAVKUPGXJF-OAHLLOKOSA-N 1 0 319.361 1.836 20 5 DDBDRO CN(C)C(C)(C)C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC001262561916 900245524 /nfs/dbraw/zinc/24/55/24/900245524.db2.gz KFOKVYGJNIFMRJ-LBPRGKRZSA-N 1 0 311.382 1.264 20 5 DDBDRO CCC[NH2+]CCNC(=O)NC[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001262584740 900262813 /nfs/dbraw/zinc/26/28/13/900262813.db2.gz KTFXXUXCYKVBTI-LBPRGKRZSA-N 1 0 308.382 1.997 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C[NH3+])[C@@H](C)C2)c1 ZINC001263213725 900536141 /nfs/dbraw/zinc/53/61/41/900536141.db2.gz BVXUMGVKVFGPBF-QWRGUYRKSA-N 1 0 307.350 1.660 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCCCC[NH2+]1 ZINC001263250541 900548436 /nfs/dbraw/zinc/54/84/36/900548436.db2.gz LIQNVNNBLDCUEH-LBPRGKRZSA-N 1 0 307.350 1.622 20 5 DDBDRO CC[N@@H+]1C[C@@H](C)N(c2nnc(C[N+](=O)[O-])n2CC2CC2)C[C@@H]1C ZINC001263676062 900668130 /nfs/dbraw/zinc/66/81/30/900668130.db2.gz FYMXXAPGPJEQQC-NWDGAFQWSA-N 1 0 322.413 1.384 20 5 DDBDRO C/C=C(\C)C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2c([N+](=O)[O-])ncn2C)C1 ZINC001263829526 900745848 /nfs/dbraw/zinc/74/58/48/900745848.db2.gz QQPAZJWPVGDSER-OBVNTCLNSA-N 1 0 321.381 1.279 20 5 DDBDRO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3cc([N+](=O)[O-])ccc3F)[C@@H]2C1 ZINC001263980097 900853816 /nfs/dbraw/zinc/85/38/16/900853816.db2.gz NEVFFFPZJIZKOD-BHYNMZESSA-N 1 0 307.325 1.804 20 5 DDBDRO CCOCC(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001316627430 907426397 /nfs/dbraw/zinc/42/63/97/907426397.db2.gz XEYBLUMDCUSVEQ-MQMHXKEQSA-N 1 0 321.377 1.616 20 5 DDBDRO C[C@@H]([NH3+])[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000449586994 230619415 /nfs/dbraw/zinc/61/94/15/230619415.db2.gz IJWGVMJDPXLEOS-RQJHMYQMSA-N 1 0 316.155 1.823 20 5 DDBDRO Cc1nn(CCC(=O)NCC2(C)CC[NH2+]CC2)c(C)c1[N+](=O)[O-] ZINC000181275709 199275097 /nfs/dbraw/zinc/27/50/97/199275097.db2.gz GFGVRWRHRGUHCQ-UHFFFAOYSA-N 1 0 323.397 1.304 20 5 DDBDRO CC[C@H](CO)[N@H+](C)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000295667510 529381674 /nfs/dbraw/zinc/38/16/74/529381674.db2.gz IWYBJCHZDZRHNW-GFCCVEGCSA-N 1 0 309.366 1.935 20 5 DDBDRO CC1(C)[C@@H](O)C[C@@H]1[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000614582978 361927943 /nfs/dbraw/zinc/92/79/43/361927943.db2.gz HXSMQVDFXXLERY-KBPBESRZSA-N 1 0 308.334 1.615 20 5 DDBDRO O=[N+]([O-])c1cccc(OCC[N@H+]2CC[C@](O)(C(F)F)C2)c1 ZINC000451437556 231095191 /nfs/dbraw/zinc/09/51/91/231095191.db2.gz LZVZYKAJNJGWHF-CYBMUJFWSA-N 1 0 302.277 1.676 20 5 DDBDRO C[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCC[C@@H](C)C1 ZINC000452073365 231291955 /nfs/dbraw/zinc/29/19/55/231291955.db2.gz VGQGXJVKFKXXBG-UKTARXLSSA-N 1 0 310.398 1.957 20 5 DDBDRO CC[C@@H](CO)[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000295836666 529503971 /nfs/dbraw/zinc/50/39/71/529503971.db2.gz ZCRZEJZWPHYQBH-LBPRGKRZSA-N 1 0 309.366 1.935 20 5 DDBDRO C[C@@H]1C[C@H](N(C)CCn2cc([N+](=O)[O-])ccc2=O)CC[N@@H+]1C ZINC000090551639 185303013 /nfs/dbraw/zinc/30/30/13/185303013.db2.gz NNRGUYRPHWFPJU-CHWSQXEVSA-N 1 0 308.382 1.171 20 5 DDBDRO CC[N@H+](CCNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)C1CC1 ZINC000181506018 199308233 /nfs/dbraw/zinc/30/82/33/199308233.db2.gz GWDLTOJGENCSQT-UHFFFAOYSA-N 1 0 321.333 1.538 20 5 DDBDRO CN(CC(=O)N[C@H]1CC[NH2+]CC1(C)C)c1ccccc1[N+](=O)[O-] ZINC000449707541 529836868 /nfs/dbraw/zinc/83/68/68/529836868.db2.gz RKGILKBWTGOOGM-AWEZNQCLSA-N 1 0 320.393 1.535 20 5 DDBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@]1(O)CCN(C)C1 ZINC000358257073 299109205 /nfs/dbraw/zinc/10/92/05/299109205.db2.gz TXTMOXWINZNAPN-BBRMVZONSA-N 1 0 307.394 1.572 20 5 DDBDRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000299536852 530062027 /nfs/dbraw/zinc/06/20/27/530062027.db2.gz UMPSGJMTUYRJJO-HNNXBMFYSA-N 1 0 318.377 1.338 20 5 DDBDRO CCc1n[nH]c(C(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)c1[N+](=O)[O-] ZINC000294155092 282362645 /nfs/dbraw/zinc/36/26/45/282362645.db2.gz NRNGRPJOVWPALH-HNNXBMFYSA-N 1 0 321.381 1.438 20 5 DDBDRO CC1(NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC[NH2+]CC1 ZINC000229626182 201843316 /nfs/dbraw/zinc/84/33/16/201843316.db2.gz GATHGZPJPXJCSR-UHFFFAOYSA-N 1 0 317.342 1.154 20 5 DDBDRO Cc1cc(NC(=O)c2cc([N+](=O)[O-])n[nH]2)ccc1C[NH+](C)C ZINC000458272472 232319654 /nfs/dbraw/zinc/31/96/54/232319654.db2.gz WDVPVIZRBYTQQO-UHFFFAOYSA-N 1 0 303.322 1.940 20 5 DDBDRO CNc1ccc(C(=O)N2CCC[C@H]2C[NH+](C)C)cc1[N+](=O)[O-] ZINC000315158746 290808652 /nfs/dbraw/zinc/80/86/52/290808652.db2.gz FQUPOAFZZGPIJQ-LBPRGKRZSA-N 1 0 306.366 1.803 20 5 DDBDRO CC1(C)C[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000279755241 215119242 /nfs/dbraw/zinc/11/92/42/215119242.db2.gz LUQYLYLCXHMVLE-RISCZKNCSA-N 1 0 310.350 1.037 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)n1 ZINC000191854488 186264599 /nfs/dbraw/zinc/26/45/99/186264599.db2.gz VMXLUOKTKZIKBP-VXGBXAGGSA-N 1 0 321.381 1.368 20 5 DDBDRO C[NH2+]CCCC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000194281484 186276329 /nfs/dbraw/zinc/27/63/29/186276329.db2.gz WMNVCPGFDMKKBM-UHFFFAOYSA-N 1 0 306.366 1.243 20 5 DDBDRO O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000564835008 304017693 /nfs/dbraw/zinc/01/76/93/304017693.db2.gz CDSRTXZRNBZWAS-ZJUUUORDSA-N 1 0 319.317 1.290 20 5 DDBDRO CCOC(C)(C)C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000564873302 304022063 /nfs/dbraw/zinc/02/20/63/304022063.db2.gz MJJMYGNLIWRJDA-ZDUSSCGKSA-N 1 0 312.366 1.739 20 5 DDBDRO C[NH+](C)CC(C)(C)CNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000057157555 352802434 /nfs/dbraw/zinc/80/24/34/352802434.db2.gz DTVOKEURWGVJJL-UHFFFAOYSA-N 1 0 309.366 1.678 20 5 DDBDRO Cc1[nH]nc(C(=O)Nc2ccc(C[NH+](C)C)cc2)c1[N+](=O)[O-] ZINC000064354596 352935549 /nfs/dbraw/zinc/93/55/49/352935549.db2.gz NHPVTKCUMHOWLN-UHFFFAOYSA-N 1 0 303.322 1.940 20 5 DDBDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000069502306 353164179 /nfs/dbraw/zinc/16/41/79/353164179.db2.gz NQAFUKCBSYIPOU-AWEZNQCLSA-N 1 0 321.377 1.744 20 5 DDBDRO O=C1C[C@@]2(CN1)CCC[N@@H+](CCOc1ccccc1[N+](=O)[O-])C2 ZINC000072829605 353218645 /nfs/dbraw/zinc/21/86/45/353218645.db2.gz LPDRYUVCIAXNGD-MRXNPFEDSA-N 1 0 319.361 1.576 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@@H]2c2ccc[nH]2)c1 ZINC000072578248 353202850 /nfs/dbraw/zinc/20/28/50/353202850.db2.gz HAULTVOPEKZBFP-GXTWGEPZSA-N 1 0 305.338 1.317 20 5 DDBDRO C[C@@H](O)CN1CCN(C(=O)c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000174299857 198316604 /nfs/dbraw/zinc/31/66/04/198316604.db2.gz LLXHPKQFPPDTPU-VXGBXAGGSA-N 1 0 307.350 1.122 20 5 DDBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(c2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000074772860 353330133 /nfs/dbraw/zinc/33/01/33/353330133.db2.gz VNTPGYBODZQPHI-NSHDSACASA-N 1 0 306.370 1.135 20 5 DDBDRO CNC(=O)c1ccc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c([N+](=O)[O-])c1 ZINC000075061409 353345731 /nfs/dbraw/zinc/34/57/31/353345731.db2.gz SEXLDGIQFPNOHE-OLZOCXBDSA-N 1 0 318.377 1.627 20 5 DDBDRO CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)CCN1C[C@@H](C)O ZINC000174618371 198360790 /nfs/dbraw/zinc/36/07/90/198360790.db2.gz JAQKOEHUGGLUBW-GHMZBOCLSA-N 1 0 311.338 1.105 20 5 DDBDRO CC[C@H](CO)[NH+]1CCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000075960340 353387457 /nfs/dbraw/zinc/38/74/57/353387457.db2.gz LXIJQPGZXIPSTH-GFCCVEGCSA-N 1 0 311.357 1.622 20 5 DDBDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000076268912 353409835 /nfs/dbraw/zinc/40/98/35/353409835.db2.gz CDPZOKCWRGVHBW-OUAUKWLOSA-N 1 0 308.386 1.745 20 5 DDBDRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CCO1 ZINC000127794349 354068484 /nfs/dbraw/zinc/06/84/84/354068484.db2.gz MMJNJZOOERAXBM-PELKAZGASA-N 1 0 313.741 1.436 20 5 DDBDRO COC(=O)[C@@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000280495755 354422754 /nfs/dbraw/zinc/42/27/54/354422754.db2.gz BQWITFKBOJJBGR-VXGBXAGGSA-N 1 0 308.334 1.715 20 5 DDBDRO Cc1ccc(C[C@H](C)[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)s1 ZINC000316309742 354501639 /nfs/dbraw/zinc/50/16/39/354501639.db2.gz WCWOSXKCGMSIBP-GWCFXTLKSA-N 1 0 324.406 1.743 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000319990580 354524155 /nfs/dbraw/zinc/52/41/55/354524155.db2.gz AEWBVOBGLPSXRO-DTWKUNHWSA-N 1 0 317.367 1.008 20 5 DDBDRO [NH3+][C@H](CNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)C1CC1 ZINC000357254061 291034436 /nfs/dbraw/zinc/03/44/36/291034436.db2.gz YNCZOEGLPVGIIU-LLVKDONJSA-N 1 0 315.333 1.248 20 5 DDBDRO Cc1cc(C(=O)N2CC[C@@H]([N@@H+]3CC[C@@H](O)C3)C2)ccc1[N+](=O)[O-] ZINC000588863063 354944301 /nfs/dbraw/zinc/94/43/01/354944301.db2.gz OOFINFKFHLTVEX-ZIAGYGMSSA-N 1 0 319.361 1.184 20 5 DDBDRO Cc1cc(C(=O)N2CC[C@H]([N@@H+]3CC[C@H](O)C3)C2)ccc1[N+](=O)[O-] ZINC000588863059 354944475 /nfs/dbraw/zinc/94/44/75/354944475.db2.gz OOFINFKFHLTVEX-KBPBESRZSA-N 1 0 319.361 1.184 20 5 DDBDRO C[N@@H+]1C[C@H]2CCN(Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)[C@@H]2C1 ZINC000590012855 355041800 /nfs/dbraw/zinc/04/18/00/355041800.db2.gz ZWWMMEGCKZHOJH-QMTHXVAHSA-N 1 0 301.350 1.607 20 5 DDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)C[C@@H]1CCOC1 ZINC000494957212 235107431 /nfs/dbraw/zinc/10/74/31/235107431.db2.gz NSWXHYMFZIQFRE-NEPJUHHUSA-N 1 0 307.350 1.890 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@@H]3COC[C@@H]32)c1 ZINC000590972412 355227409 /nfs/dbraw/zinc/22/74/09/355227409.db2.gz QUANIECLBTVHRC-XPKDYRNWSA-N 1 0 322.361 1.445 20 5 DDBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CC[C@H](O)[C@@H](CO)C2)cc1 ZINC000591054806 355238593 /nfs/dbraw/zinc/23/85/93/355238593.db2.gz DNSXFDCRCPXOCS-DOMZBBRYSA-N 1 0 310.350 1.039 20 5 DDBDRO O=[N+]([O-])c1cnc(N2C[C@H]3C[NH2+]C[C@H]3C2)c(C(F)(F)F)c1 ZINC000591139941 355254306 /nfs/dbraw/zinc/25/43/06/355254306.db2.gz PHVOTFQWZWDAEF-OCAPTIKFSA-N 1 0 302.256 1.664 20 5 DDBDRO CC[N@@H+]1CC[C@H]2OCCN(c3ncc([N+](=O)[O-])cc3F)[C@H]2C1 ZINC000591162387 355257508 /nfs/dbraw/zinc/25/75/08/355257508.db2.gz YRXCAKBZVIMSBX-QWHCGFSZSA-N 1 0 310.329 1.428 20 5 DDBDRO Cc1c(CNC(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)cccc1[N+](=O)[O-] ZINC000591357070 355298865 /nfs/dbraw/zinc/29/88/65/355298865.db2.gz WLZITCJXHIRUJF-FZMZJTMJSA-N 1 0 322.365 1.161 20 5 DDBDRO C[C@@H]([NH3+])CNC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000591361370 355301525 /nfs/dbraw/zinc/30/15/25/355301525.db2.gz XLKYOOIFEUBCJD-DGCLKSJQSA-N 1 0 306.366 1.831 20 5 DDBDRO C[C@H]1CN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])[C@@H](C)C[NH2+]1 ZINC000591433896 355310281 /nfs/dbraw/zinc/31/02/81/355310281.db2.gz HNDNGGKRFUIHHW-YUMQZZPRSA-N 1 0 319.408 1.246 20 5 DDBDRO C[C@H]1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C[C@@H]1C[NH3+] ZINC000591587025 355330847 /nfs/dbraw/zinc/33/08/47/355330847.db2.gz KTYWZPXYWWXASG-UWVGGRQHSA-N 1 0 321.333 1.380 20 5 DDBDRO C[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CCCCO1 ZINC000591759271 355378795 /nfs/dbraw/zinc/37/87/95/355378795.db2.gz YOENJRLHGQOGNJ-DUVNUKRYSA-N 1 0 324.377 1.882 20 5 DDBDRO CC(C)OCC[C@H](O)C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000591763582 355379600 /nfs/dbraw/zinc/37/96/00/355379600.db2.gz KEIKFSVLVDBOSM-LBPRGKRZSA-N 1 0 322.365 1.737 20 5 DDBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000591686028 355362439 /nfs/dbraw/zinc/36/24/39/355362439.db2.gz MDWPPTAGZLMZQY-UWVGGRQHSA-N 1 0 313.354 1.503 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592255459 355547849 /nfs/dbraw/zinc/54/78/49/355547849.db2.gz PSVIPLZWQYLDLQ-NEPJUHHUSA-N 1 0 321.381 1.180 20 5 DDBDRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CCO1 ZINC000592312443 355557214 /nfs/dbraw/zinc/55/72/14/355557214.db2.gz UXPGQJSPUYAKQS-OTYXRUKQSA-N 1 0 319.317 1.529 20 5 DDBDRO C[C@@]1([NH3+])CCCC[C@@H]1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000592136564 355509968 /nfs/dbraw/zinc/50/99/68/355509968.db2.gz RKUBFJXTDAECNB-GDBMZVCRSA-N 1 0 321.377 1.997 20 5 DDBDRO O=C(CC[NH2+]C[C@@H]1CC[C@H](O)C1)Nc1ccccc1[N+](=O)[O-] ZINC000592431326 355581847 /nfs/dbraw/zinc/58/18/47/355581847.db2.gz FONLQKUPBFJXGD-NEPJUHHUSA-N 1 0 307.350 1.674 20 5 DDBDRO O=[N+]([O-])c1cc2c(cc1CN1CC[C@]3(CC[NH2+]C3)C1)OCCO2 ZINC000592432665 355582028 /nfs/dbraw/zinc/58/20/28/355582028.db2.gz KOYLXJISYKRYTL-INIZCTEOSA-N 1 0 319.361 1.551 20 5 DDBDRO CN(CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)[C@@H]1CC[NH2+]C1 ZINC000592472625 355592686 /nfs/dbraw/zinc/59/26/86/355592686.db2.gz NNCWGZRFJQJOER-GFCCVEGCSA-N 1 0 320.349 1.187 20 5 DDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)s1 ZINC000592381269 355571006 /nfs/dbraw/zinc/57/10/06/355571006.db2.gz DLFAWDAAFDLHRH-DTWKUNHWSA-N 1 0 317.392 1.029 20 5 DDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000592398816 355576088 /nfs/dbraw/zinc/57/60/88/355576088.db2.gz UNEJWTQSRDMZOS-ZJUUUORDSA-N 1 0 315.395 1.561 20 5 DDBDRO C[C@@H]1[C@H](C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)CC[N@@H+]1C ZINC000592783658 355689262 /nfs/dbraw/zinc/68/92/62/355689262.db2.gz ORRVKJPMIIMMMB-ZWNOBZJWSA-N 1 0 304.350 1.215 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@H](C)[C@H]2CCOC2)c1 ZINC000593024622 355772782 /nfs/dbraw/zinc/77/27/82/355772782.db2.gz OVFWNASGSVDUHA-PWSUYJOCSA-N 1 0 308.334 1.896 20 5 DDBDRO [NH3+]C1(C(=O)N2CCc3c2cccc3[N+](=O)[O-])Cc2ccccc2C1 ZINC000592953517 355749929 /nfs/dbraw/zinc/74/99/29/355749929.db2.gz UXNVBTURVQXIOH-UHFFFAOYSA-N 1 0 323.352 1.980 20 5 DDBDRO CC[N@@H+]1CCN(Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000593029173 355774270 /nfs/dbraw/zinc/77/42/70/355774270.db2.gz WGPZXEZSNRGWPK-GFCCVEGCSA-N 1 0 321.377 1.907 20 5 DDBDRO CC[C@@H]1COC(C)(C)C[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000593056740 355782317 /nfs/dbraw/zinc/78/23/17/355782317.db2.gz OLCVDUASFLFFDJ-DGCLKSJQSA-N 1 0 312.370 1.042 20 5 DDBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](CO)CCF ZINC000593686295 355967134 /nfs/dbraw/zinc/96/71/34/355967134.db2.gz LJFVREHNSGZXRK-CMPLNLGQSA-N 1 0 313.329 1.622 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000593915355 356057958 /nfs/dbraw/zinc/05/79/58/356057958.db2.gz JFAUESGBAQTXQU-QMTHXVAHSA-N 1 0 306.366 1.888 20 5 DDBDRO CC[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)[C@H]1CCCCO1 ZINC000594042636 356096968 /nfs/dbraw/zinc/09/69/68/356096968.db2.gz MBFVVZXMMFOONA-UONOGXRCSA-N 1 0 309.366 1.694 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)n1 ZINC000594198108 356137152 /nfs/dbraw/zinc/13/71/52/356137152.db2.gz RXLMSIDMLHIFIY-VXGBXAGGSA-N 1 0 321.381 1.558 20 5 DDBDRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000594234840 356147064 /nfs/dbraw/zinc/14/70/64/356147064.db2.gz YNVLXRUTXXHUQH-OTVXOJSOSA-N 1 0 320.393 1.777 20 5 DDBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC000594489823 356236078 /nfs/dbraw/zinc/23/60/78/356236078.db2.gz FDZWDKHFPJWBPJ-GWCFXTLKSA-N 1 0 310.375 1.606 20 5 DDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594419787 356204766 /nfs/dbraw/zinc/20/47/66/356204766.db2.gz RLEVQTSVLOLULK-QWHCGFSZSA-N 1 0 318.377 1.924 20 5 DDBDRO C[C@H](NC(=O)N[C@H](C[NH3+])C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000594524932 356243316 /nfs/dbraw/zinc/24/33/16/356243316.db2.gz NQKPAUOFJWAZCY-OIBJUYFYSA-N 1 0 320.271 1.845 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CC[C@@H](C)S(=O)(=O)C1 ZINC000594973953 356367058 /nfs/dbraw/zinc/36/70/58/356367058.db2.gz IANVZVCVBCLAKB-DGCLKSJQSA-N 1 0 312.391 1.959 20 5 DDBDRO C[NH2+]C[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000595119383 356385232 /nfs/dbraw/zinc/38/52/32/356385232.db2.gz SJIZPJVDLUTDQG-SNVBAGLBSA-N 1 0 301.368 1.098 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCC12CC(C1)C[NH2+]2 ZINC000595231968 356413426 /nfs/dbraw/zinc/41/34/26/356413426.db2.gz LNGIANCSHKJTBR-UHFFFAOYSA-N 1 0 320.349 1.867 20 5 DDBDRO CS[C@@H]1CN(Cc2onc(C)c2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000595403929 356480887 /nfs/dbraw/zinc/48/08/87/356480887.db2.gz NHAPSZBTMISFLL-MWLCHTKSSA-N 1 0 300.384 1.369 20 5 DDBDRO Cc1noc(CN2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c1[N+](=O)[O-] ZINC000595370763 356468049 /nfs/dbraw/zinc/46/80/49/356468049.db2.gz JFLYPOQYSKVLTK-CYBMUJFWSA-N 1 0 323.397 1.103 20 5 DDBDRO CNC(=O)[C@@H](C)C[N@H+](C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000081527113 192283121 /nfs/dbraw/zinc/28/31/21/192283121.db2.gz GJYIRGOOYTWISN-NSHDSACASA-N 1 0 322.365 1.156 20 5 DDBDRO O=C1CC[C@H]2C[N@H+](CCOc3cccc([N+](=O)[O-])c3)CC[C@@H]2N1 ZINC000595744234 356632646 /nfs/dbraw/zinc/63/26/46/356632646.db2.gz UUBOYUKBTWJOIP-WFASDCNBSA-N 1 0 319.361 1.574 20 5 DDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@H]2COC[C@@]2(C)C1 ZINC000595755404 356637781 /nfs/dbraw/zinc/63/77/81/356637781.db2.gz ADXYPANMRDXJOW-BFQNTYOBSA-N 1 0 319.361 1.890 20 5 DDBDRO [NH3+]CC12CC(C1)CN2[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000595908269 356701632 /nfs/dbraw/zinc/70/16/32/356701632.db2.gz HCFSYHHQDASOSA-WMEQCIOUSA-N 1 0 316.361 1.123 20 5 DDBDRO O=C(Cn1ccc([N+](=O)[O-])n1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595960469 356724639 /nfs/dbraw/zinc/72/46/39/356724639.db2.gz FZHJOOYRTWEJDC-CYBMUJFWSA-N 1 0 321.381 1.030 20 5 DDBDRO CN(CC(C)(C)[NH3+])C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000595932917 356710379 /nfs/dbraw/zinc/71/03/79/356710379.db2.gz DOSUHFZTVMHVHZ-UHFFFAOYSA-N 1 0 302.334 1.952 20 5 DDBDRO COc1ccc(C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000237151958 202168631 /nfs/dbraw/zinc/16/86/31/202168631.db2.gz TYAKRYNPUYPXRP-NEPJUHHUSA-N 1 0 307.350 1.851 20 5 DDBDRO Cn1c(C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)ccc1[N+](=O)[O-] ZINC000595936628 356712067 /nfs/dbraw/zinc/71/20/67/356712067.db2.gz PKNDGCNLXSKYLF-ZDUSSCGKSA-N 1 0 320.393 1.785 20 5 DDBDRO CC1(C)CC[NH2+][C@@H]1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000595937516 356712896 /nfs/dbraw/zinc/71/28/96/356712896.db2.gz VRMWQHOQQPEESZ-CYBMUJFWSA-N 1 0 307.350 1.478 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CC2CCC(O)CC2)c1 ZINC000596066858 356759305 /nfs/dbraw/zinc/75/93/05/356759305.db2.gz VHEITCWLBGDDDX-ZALBZXLWSA-N 1 0 324.377 1.475 20 5 DDBDRO O=c1[nH]ccc(N2CCC[N@H+](C[C@@H]3CCCO3)CC2)c1[N+](=O)[O-] ZINC000596079018 356764782 /nfs/dbraw/zinc/76/47/82/356764782.db2.gz ZEDDSIXNIWOHFW-LBPRGKRZSA-N 1 0 322.365 1.387 20 5 DDBDRO CCC[N@@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596090558 356768962 /nfs/dbraw/zinc/76/89/62/356768962.db2.gz YEPQRXPOAGDTCC-NSHDSACASA-N 1 0 306.366 1.838 20 5 DDBDRO NC(=O)c1cc(N2CC[C@@H]([NH+]3CC=CC3)C2)ccc1[N+](=O)[O-] ZINC000596139086 356788413 /nfs/dbraw/zinc/78/84/13/356788413.db2.gz BELYAKYNOWYGHC-GFCCVEGCSA-N 1 0 302.334 1.144 20 5 DDBDRO CS[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)C[C@@H]1[NH+](C)C ZINC000596176616 356803285 /nfs/dbraw/zinc/80/32/85/356803285.db2.gz CPMGULUYUJGDBS-QWHCGFSZSA-N 1 0 324.406 1.176 20 5 DDBDRO C[C@H]1C[C@H](N(C)c2ccc([N+](=O)[O-])c(C(N)=O)c2)CC[N@@H+]1C ZINC000596137024 356787445 /nfs/dbraw/zinc/78/74/45/356787445.db2.gz OCOUWMXJLSARGC-CMPLNLGQSA-N 1 0 306.366 1.613 20 5 DDBDRO O=[N+]([O-])c1cccnc1N1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000596263523 356837249 /nfs/dbraw/zinc/83/72/49/356837249.db2.gz GQJGFOCRPPYKKP-UHFFFAOYSA-N 1 0 306.366 1.321 20 5 DDBDRO CC(C)[N@@H+]1CC[C@@H](N(C)c2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596265784 356838118 /nfs/dbraw/zinc/83/81/18/356838118.db2.gz MGLZUYXMSHMAET-GFCCVEGCSA-N 1 0 306.366 1.613 20 5 DDBDRO O=[N+]([O-])c1ncccc1N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000596268206 356838848 /nfs/dbraw/zinc/83/88/48/356838848.db2.gz HVUCNCLCANUBBY-UHFFFAOYSA-N 1 0 306.366 1.681 20 5 DDBDRO CO[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1OC ZINC000276905954 213166656 /nfs/dbraw/zinc/16/66/56/213166656.db2.gz PMXJPOIFQHZNMA-OKILXGFUSA-N 1 0 323.349 1.269 20 5 DDBDRO CC(C)(C)[N@@H+]1CC[C@H]1CNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000596308683 356852765 /nfs/dbraw/zinc/85/27/65/356852765.db2.gz KNBSOLIQKJBBNJ-VIFPVBQESA-N 1 0 307.354 1.373 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000237241010 202201247 /nfs/dbraw/zinc/20/12/47/202201247.db2.gz WFOPGQMRIXWBIR-MNOVXSKESA-N 1 0 307.350 1.803 20 5 DDBDRO Cc1cc(N2CCC(CO)(CO)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000596504066 356899369 /nfs/dbraw/zinc/89/93/69/356899369.db2.gz DRAWQFAPZSIWFA-UHFFFAOYSA-N 1 0 317.345 1.633 20 5 DDBDRO C[NH+]1CC2(C1)CCN(C(=O)Cc1ccc(F)cc1[N+](=O)[O-])C2 ZINC000597569490 357231812 /nfs/dbraw/zinc/23/18/12/357231812.db2.gz WZUKYJSXWKJJQF-UHFFFAOYSA-N 1 0 307.325 1.441 20 5 DDBDRO COc1c(C(=O)N2CC[C@H]([NH+](C)C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000597701466 357292030 /nfs/dbraw/zinc/29/20/30/357292030.db2.gz UKCSSVNJSBLWFZ-JQWIXIFHSA-N 1 0 307.350 1.768 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000597924825 357384884 /nfs/dbraw/zinc/38/48/84/357384884.db2.gz LDARTJPONZYGMO-LBPRGKRZSA-N 1 0 323.397 1.479 20 5 DDBDRO CN(CCC[NH+](C)C)CCNC(=O)c1csc([N+](=O)[O-])c1 ZINC000597989843 357407364 /nfs/dbraw/zinc/40/73/64/357407364.db2.gz KEVDEAWPSRFICB-UHFFFAOYSA-N 1 0 314.411 1.270 20 5 DDBDRO C[C@@H](CCNC(=O)CN(C)c1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000597991292 357408584 /nfs/dbraw/zinc/40/85/84/357408584.db2.gz COUUIZWBIIWZND-LBPRGKRZSA-N 1 0 308.382 1.487 20 5 DDBDRO CCN(C(=O)CCn1cc([N+](=O)[O-])nc1C)[C@H]1CC[N@H+](CC)C1 ZINC000598040097 357438905 /nfs/dbraw/zinc/43/89/05/357438905.db2.gz CHALXWZIIYPPOU-ZDUSSCGKSA-N 1 0 323.397 1.433 20 5 DDBDRO Cc1n[nH]c(C(=O)N[C@H](C)C[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000598262871 357512878 /nfs/dbraw/zinc/51/28/78/357512878.db2.gz NAZJIEDOJZKWDH-SNVBAGLBSA-N 1 0 309.370 1.477 20 5 DDBDRO C[C@H]([NH3+])CCNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000178657370 198906105 /nfs/dbraw/zinc/90/61/05/198906105.db2.gz DKEDZRXRQAUEIU-VIFPVBQESA-N 1 0 315.757 1.871 20 5 DDBDRO C[NH+](C)CCC[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000598547548 357629319 /nfs/dbraw/zinc/62/93/19/357629319.db2.gz YGJNXEVKJMDEJJ-OAHLLOKOSA-N 1 0 321.377 1.778 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@@H](C)[C@@H](CO)C2)c1 ZINC000598649093 357670582 /nfs/dbraw/zinc/67/05/82/357670582.db2.gz VLVYQGHSLOKOAF-BXUZGUMPSA-N 1 0 322.361 1.832 20 5 DDBDRO Cc1cc(OCC(=O)N2CC[NH2+][C@@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000598572027 357636862 /nfs/dbraw/zinc/63/68/62/357636862.db2.gz KEZONAJSWUEUTH-CQSZACIVSA-N 1 0 321.377 1.738 20 5 DDBDRO Cc1c(CC(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)cccc1[N+](=O)[O-] ZINC000292357878 223018162 /nfs/dbraw/zinc/01/81/62/223018162.db2.gz VYFLCCZGTOQTFB-KRWDZBQOSA-N 1 0 317.389 2.000 20 5 DDBDRO [NH3+][C@@]12CCC[C@H]1CN(S(=O)(=O)c1ccc([N+](=O)[O-])s1)C2 ZINC000598727749 357706016 /nfs/dbraw/zinc/70/60/16/357706016.db2.gz YWVUZWWATVYZAI-GZMMTYOYSA-N 1 0 317.392 1.158 20 5 DDBDRO COc1cc(C[NH2+][C@H]2CO[C@H](C3CC3)C2)c([N+](=O)[O-])cc1O ZINC000599007661 357791854 /nfs/dbraw/zinc/79/18/54/357791854.db2.gz SCOBXTQSASOBMX-RISCZKNCSA-N 1 0 308.334 1.966 20 5 DDBDRO O=C(CNc1ccc2cnccc2c1[N+](=O)[O-])N1CCOCC1 ZINC000599065320 357806237 /nfs/dbraw/zinc/80/62/37/357806237.db2.gz KLAKGNYCVBLBBP-UHFFFAOYSA-N 1 0 316.317 1.414 20 5 DDBDRO C[C@@H]1CC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])s2)C[NH2+]1 ZINC000599105762 357817415 /nfs/dbraw/zinc/81/74/15/357817415.db2.gz QBKRMRVODVZMOU-SFYZADRCSA-N 1 0 305.381 1.075 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000599602956 357989284 /nfs/dbraw/zinc/98/92/84/357989284.db2.gz BCERRQIHNJKOJF-UWVGGRQHSA-N 1 0 308.338 1.865 20 5 DDBDRO C[C@@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000599991127 358098205 /nfs/dbraw/zinc/09/82/05/358098205.db2.gz ANXFFXONNWUKEA-RABLLNBGSA-N 1 0 303.362 1.717 20 5 DDBDRO CS(=O)(=O)CCCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000185208103 199825212 /nfs/dbraw/zinc/82/52/12/199825212.db2.gz WUJRBLMPOWDBKD-UHFFFAOYSA-N 1 0 306.409 1.961 20 5 DDBDRO COC(=O)[C@@](C)(NC(=O)[C@H](C)[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000600541446 358251124 /nfs/dbraw/zinc/25/11/24/358251124.db2.gz UZHVONOFVUKUNZ-BONVTDFDSA-N 1 0 323.349 1.049 20 5 DDBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2COCCN2)cc1[N+](=O)[O-] ZINC000600710234 358290615 /nfs/dbraw/zinc/29/06/15/358290615.db2.gz MUAJAHXTJXTOAZ-DGCLKSJQSA-N 1 0 309.366 1.633 20 5 DDBDRO Cn1ccnc1[C@H](N[C@@H]1CC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000600713721 358291948 /nfs/dbraw/zinc/29/19/48/358291948.db2.gz KYPBVWDIZDZRCC-TZMCWYRMSA-N 1 0 301.350 1.369 20 5 DDBDRO CC(C)[C@H]1C[NH2+]CCN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000600714202 358292022 /nfs/dbraw/zinc/29/20/22/358292022.db2.gz KEBJJMHVRBRURL-OAHLLOKOSA-N 1 0 320.393 1.853 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000600882782 358338155 /nfs/dbraw/zinc/33/81/55/358338155.db2.gz DDTJHKCKJSJTRP-UHFFFAOYSA-N 1 0 317.349 1.914 20 5 DDBDRO CN1CC[C@@H]([NH+]2CCC(Nc3ccsc3[N+](=O)[O-])CC2)C1=O ZINC000601178117 358435315 /nfs/dbraw/zinc/43/53/15/358435315.db2.gz LTGPDQUJBGSKDC-GFCCVEGCSA-N 1 0 324.406 1.763 20 5 DDBDRO CN1CC[C@H]([NH+]2CCC(Nc3ccc([N+](=O)[O-])cn3)CC2)C1=O ZINC000601177053 358435617 /nfs/dbraw/zinc/43/56/17/358435617.db2.gz QDCVHDOVXYPZGD-ZDUSSCGKSA-N 1 0 319.365 1.097 20 5 DDBDRO Cc1cc(S(=O)(=O)NC[C@H](C)[NH+](C)C)c([N+](=O)[O-])s1 ZINC000601431138 358550480 /nfs/dbraw/zinc/55/04/80/358550480.db2.gz FWUZKSSLDOLDMU-ZETCQYMHSA-N 1 0 307.397 1.193 20 5 DDBDRO C[N@@H+]1CCC[C@H]1C(=O)N[C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000601777818 358691063 /nfs/dbraw/zinc/69/10/63/358691063.db2.gz LMZMPZYIYWHGGL-ZFWWWQNUSA-N 1 0 307.350 1.013 20 5 DDBDRO Cc1cccc(C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)c1[N+](=O)[O-] ZINC000601972909 358760539 /nfs/dbraw/zinc/76/05/39/358760539.db2.gz AMLZRTQZZYXLRO-IYBDPMFKSA-N 1 0 303.362 1.975 20 5 DDBDRO [NH3+][C@@H]1CCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000602420820 358965912 /nfs/dbraw/zinc/96/59/12/358965912.db2.gz HWZCTMVCSRZDQG-SSDOTTSWSA-N 1 0 314.139 1.531 20 5 DDBDRO [NH3+]C[C@H]1CCN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC000602427410 358969946 /nfs/dbraw/zinc/96/99/46/358969946.db2.gz HATXWTOMBDWLBT-GFCCVEGCSA-N 1 0 303.362 1.824 20 5 DDBDRO CN(CC[NH3+])C(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000602511906 359021629 /nfs/dbraw/zinc/02/16/29/359021629.db2.gz VKWHWWJMEYGUCP-UHFFFAOYSA-N 1 0 302.128 1.388 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[NH2+]C[C@@H]2CCN(c3ccccc3)C2)c1 ZINC000602570454 359049744 /nfs/dbraw/zinc/04/97/44/359049744.db2.gz VNKLOIPMRZPDSF-AWEZNQCLSA-N 1 0 315.377 1.907 20 5 DDBDRO CO[C@H](C)[C@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602627399 359083437 /nfs/dbraw/zinc/08/34/37/359083437.db2.gz BOBBTNWLYWOMRR-NWDGAFQWSA-N 1 0 308.382 1.972 20 5 DDBDRO CO[C@H](CN(CC[NH3+])c1ccccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000602659884 359107012 /nfs/dbraw/zinc/10/70/12/359107012.db2.gz VAMVYPSEFQKRRY-IUODEOHRSA-N 1 0 309.366 1.411 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@](C)(CO)c1ccccc1 ZINC000602775654 359182619 /nfs/dbraw/zinc/18/26/19/359182619.db2.gz LODLMNCJQIEJJQ-HNNXBMFYSA-N 1 0 304.350 1.597 20 5 DDBDRO C[C@H]1OCC[C@H]1C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602768330 359176718 /nfs/dbraw/zinc/17/67/18/359176718.db2.gz UHDMBIHWGHSDAN-OLZOCXBDSA-N 1 0 306.366 1.537 20 5 DDBDRO CC[N@H+]1[C@H](C)CN(CCn2cc([N+](=O)[O-])ccc2=O)C[C@@H]1C ZINC000602875344 359258242 /nfs/dbraw/zinc/25/82/42/359258242.db2.gz ZRSSMSQEZWKGPP-BETUJISGSA-N 1 0 308.382 1.171 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000602837809 359227531 /nfs/dbraw/zinc/22/75/31/359227531.db2.gz AAEUEOCDPILXJZ-ONGXEEELSA-N 1 0 322.287 1.345 20 5 DDBDRO Cc1ccsc1[C@@H](CO)[NH2+]CCn1c(C)ncc1[N+](=O)[O-] ZINC000602810166 359206675 /nfs/dbraw/zinc/20/66/75/359206675.db2.gz FFHSELRJPAJPAP-LLVKDONJSA-N 1 0 310.379 1.793 20 5 DDBDRO Cc1cncc([N+](=O)[O-])c1NC(=O)N1CC[N@@H+](C)C[C@@H]1C(C)C ZINC000602953291 359318581 /nfs/dbraw/zinc/31/85/81/359318581.db2.gz RYHVPARUNMUBBW-CYBMUJFWSA-N 1 0 321.381 1.524 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@H]1CCCn2nccc21 ZINC000603028643 359369677 /nfs/dbraw/zinc/36/96/77/359369677.db2.gz DQLDYKYCUWNPEQ-LBPRGKRZSA-N 1 0 303.322 1.078 20 5 DDBDRO O=[N+]([O-])c1cccc(F)c1Cn1cc([C@@H]2CCC[NH2+]C2)nn1 ZINC000603203971 359478892 /nfs/dbraw/zinc/47/88/92/359478892.db2.gz SYMQTQQSDFPNFM-SNVBAGLBSA-N 1 0 305.313 1.841 20 5 DDBDRO COc1ccc(OCC[N@H+](C)CC2(CO)CC2)c([N+](=O)[O-])c1 ZINC000186821652 200017528 /nfs/dbraw/zinc/01/75/28/200017528.db2.gz CSBDKQXHIACPMV-UHFFFAOYSA-N 1 0 310.350 1.687 20 5 DDBDRO Cn1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c([N+](=O)[O-])n1 ZINC000603430021 359635059 /nfs/dbraw/zinc/63/50/59/359635059.db2.gz QIVYWIIUNRJICL-CHWSQXEVSA-N 1 0 307.398 1.540 20 5 DDBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)[C@H]1C[NH2+]CCO1 ZINC000187713008 200148605 /nfs/dbraw/zinc/14/86/05/200148605.db2.gz ZGOKFYVBSMNMSI-CQSZACIVSA-N 1 0 307.350 1.022 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)NC[C@@H]1CCC[NH2+]C1 ZINC000237722247 202339104 /nfs/dbraw/zinc/33/91/04/202339104.db2.gz GKKXGHPXLNBVFA-SNVBAGLBSA-N 1 0 311.313 1.229 20 5 DDBDRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000237978653 283501064 /nfs/dbraw/zinc/50/10/64/283501064.db2.gz VJPULZMUMWDYHV-RISCZKNCSA-N 1 0 307.350 1.607 20 5 DDBDRO COc1ccc(CC(=O)NCC[N@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000609044248 360258136 /nfs/dbraw/zinc/25/81/36/360258136.db2.gz AVRCRDKKWUHRNQ-UHFFFAOYSA-N 1 0 309.366 1.602 20 5 DDBDRO C[C@H]1C[C@@H](O)CC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000292409448 223059147 /nfs/dbraw/zinc/05/91/47/223059147.db2.gz LYRKFBACEFYWAR-UBHSHLNASA-N 1 0 310.350 1.180 20 5 DDBDRO Cc1nn(C)c(N2CCC[N@H+](C[C@@H]3CCCO3)CC2)c1[N+](=O)[O-] ZINC000610489225 360449352 /nfs/dbraw/zinc/44/93/52/360449352.db2.gz QUCGXBYJTQTJEI-ZDUSSCGKSA-N 1 0 323.397 1.328 20 5 DDBDRO COC(=O)c1cnc(NC[C@@H](C)C[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000190169118 200496801 /nfs/dbraw/zinc/49/68/01/200496801.db2.gz FYXNMJKGVAVKNT-LLVKDONJSA-N 1 0 322.365 1.920 20 5 DDBDRO CC[N@H+](CC(=O)NCCOc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000611012115 360602987 /nfs/dbraw/zinc/60/29/87/360602987.db2.gz YNCFVNCHBWSCDH-UHFFFAOYSA-N 1 0 307.350 1.574 20 5 DDBDRO C[NH+](C)[C@@H]1CCCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611267996 360684109 /nfs/dbraw/zinc/68/41/09/360684109.db2.gz DWPKHFIIUNOGSM-CYBMUJFWSA-N 1 0 321.377 1.892 20 5 DDBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2C[C@H](O)C[C@H](O)C2)o1 ZINC000611276840 360688188 /nfs/dbraw/zinc/68/81/88/360688188.db2.gz UROBXVCADZQTHP-TXEJJXNPSA-N 1 0 318.329 1.782 20 5 DDBDRO Nc1cc(NCCCC[NH+]2CCOCC2)cc(CO)c1[N+](=O)[O-] ZINC000611525835 360748162 /nfs/dbraw/zinc/74/81/62/360748162.db2.gz VVCFCKSOOZZEDS-UHFFFAOYSA-N 1 0 324.381 1.194 20 5 DDBDRO COC[C@H](C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2)OC ZINC000611585643 360768656 /nfs/dbraw/zinc/76/86/56/360768656.db2.gz XTLXFKIXCSYXNG-NSHDSACASA-N 1 0 312.322 1.117 20 5 DDBDRO CN(CC(=O)NCC1=CC[N@H+](C)CC1)c1ccccc1[N+](=O)[O-] ZINC000271930814 209332915 /nfs/dbraw/zinc/33/29/15/209332915.db2.gz VDLWYIJKCTUYTC-UHFFFAOYSA-N 1 0 318.377 1.409 20 5 DDBDRO CC[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C[C@@H]1CCOC1 ZINC000612059419 360904458 /nfs/dbraw/zinc/90/44/58/360904458.db2.gz RSACOTZNVOHBFT-KBPBESRZSA-N 1 0 324.377 1.693 20 5 DDBDRO CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000565890411 304101354 /nfs/dbraw/zinc/10/13/54/304101354.db2.gz QHXURCRXHOCHDD-KGLIPLIRSA-N 1 0 307.350 1.478 20 5 DDBDRO CNS(=O)(=O)CC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000193330574 201032583 /nfs/dbraw/zinc/03/25/83/201032583.db2.gz HZWBOSIUMQRJSR-ZDUSSCGKSA-N 1 0 313.379 1.111 20 5 DDBDRO COc1cc(OCC(=O)N[C@@H]2CCC[NH2+][C@@H]2C)ccc1[N+](=O)[O-] ZINC000193601812 201083560 /nfs/dbraw/zinc/08/35/60/201083560.db2.gz FRQCLPOTAVHMFH-ZYHUDNBSSA-N 1 0 323.349 1.239 20 5 DDBDRO CC(C)[NH+](CCCNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)C(C)C ZINC000193662153 201097526 /nfs/dbraw/zinc/09/75/26/201097526.db2.gz QRYYGXGJXKUXEE-UHFFFAOYSA-N 1 0 324.381 1.934 20 5 DDBDRO C[C@H](c1ccccc1)[C@H](CO)[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000613390052 361401850 /nfs/dbraw/zinc/40/18/50/361401850.db2.gz VOHUMETYJRRBLN-OCCSQVGLSA-N 1 0 304.350 1.546 20 5 DDBDRO NC(=O)c1cccc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])c1 ZINC000348902414 283751751 /nfs/dbraw/zinc/75/17/51/283751751.db2.gz CIFYFZZZSONWEB-UHFFFAOYSA-N 1 0 314.345 1.659 20 5 DDBDRO Cc1cccc(C(C)(C)[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000271791267 209218403 /nfs/dbraw/zinc/21/84/03/209218403.db2.gz NMXPEFKNSIEWPL-OAHLLOKOSA-N 1 0 318.377 1.986 20 5 DDBDRO C[C@H]1OCC[C@@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000349662359 284005362 /nfs/dbraw/zinc/00/53/62/284005362.db2.gz HWCNVQVKBNCMFJ-MFKMUULPSA-N 1 0 314.363 1.136 20 5 DDBDRO C[N@H+](CCCCO)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000349917899 284105534 /nfs/dbraw/zinc/10/55/34/284105534.db2.gz BXCZAZSWPBNAOL-CQSZACIVSA-N 1 0 307.350 1.404 20 5 DDBDRO CC[C@@H](C)C[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000093066012 193198872 /nfs/dbraw/zinc/19/88/72/193198872.db2.gz MWMBXPOFJHLEIM-LLVKDONJSA-N 1 0 315.395 1.509 20 5 DDBDRO C[NH2+]CCC1CCN(C(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000261963429 203162473 /nfs/dbraw/zinc/16/24/73/203162473.db2.gz ALUSHFIHEOHUIZ-UHFFFAOYSA-N 1 0 321.377 1.822 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@](C)(O)C[NH+](C)C ZINC000093241632 193220821 /nfs/dbraw/zinc/22/08/21/193220821.db2.gz MPGACTBRHXRPGD-INIZCTEOSA-N 1 0 323.393 1.562 20 5 DDBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000264757883 204133985 /nfs/dbraw/zinc/13/39/85/204133985.db2.gz TYWZJGXZSHAIFF-CYBMUJFWSA-N 1 0 321.377 1.964 20 5 DDBDRO C[C@@H]([NH2+]CC1(OCCO)CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000282728162 217205711 /nfs/dbraw/zinc/20/57/11/217205711.db2.gz MJWIPSOJMNDENV-CYBMUJFWSA-N 1 0 324.377 1.804 20 5 DDBDRO C[NH+](C)C1CCN(CCNc2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000288255505 220045987 /nfs/dbraw/zinc/04/59/87/220045987.db2.gz GJAAQQUTONIQRR-UHFFFAOYSA-N 1 0 307.398 1.615 20 5 DDBDRO CC[NH+]1CCN(CCCNc2ncc(C)cc2[N+](=O)[O-])CC1 ZINC000266214865 205188719 /nfs/dbraw/zinc/18/87/19/205188719.db2.gz OFFCZZUMUAQWKF-UHFFFAOYSA-N 1 0 307.398 1.738 20 5 DDBDRO C[C@]1(CO)CCC[C@@H]1[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000351523501 284361008 /nfs/dbraw/zinc/36/10/08/284361008.db2.gz LVRGDMVLICARAH-DZGCQCFKSA-N 1 0 307.350 1.334 20 5 DDBDRO C[NH+](C)C[C@H]1CCCN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000267455384 206078160 /nfs/dbraw/zinc/07/81/60/206078160.db2.gz GKHJLOPPLPLRDA-GFCCVEGCSA-N 1 0 306.366 1.559 20 5 DDBDRO CCOC(=O)c1cc(N2CC[NH+](CC)CC2)ccc1[N+](=O)[O-] ZINC000267549600 206138701 /nfs/dbraw/zinc/13/87/01/206138701.db2.gz RIKHFMLHBNPQLN-UHFFFAOYSA-N 1 0 307.350 1.913 20 5 DDBDRO CC[NH+]1CCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000023991162 182371670 /nfs/dbraw/zinc/37/16/70/182371670.db2.gz YNEYSHOXILONEH-LBPRGKRZSA-N 1 0 306.366 1.559 20 5 DDBDRO COC(=O)c1cc(C)nc(N2CC[C@H](C)C[C@@H]2C[NH3+])c1[N+](=O)[O-] ZINC000420263566 284525387 /nfs/dbraw/zinc/52/53/87/284525387.db2.gz UDBVYLCCAOYEFL-GXSJLCMTSA-N 1 0 322.365 1.648 20 5 DDBDRO CCOc1ccc(C(=O)N2CC[C@H]([C@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000351831226 284566177 /nfs/dbraw/zinc/56/61/77/284566177.db2.gz VXYTUTSDYNIOPR-JQWIXIFHSA-N 1 0 307.350 1.803 20 5 DDBDRO CC[NH+](CC)[C@H]1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000174172839 248360664 /nfs/dbraw/zinc/36/06/64/248360664.db2.gz OJUAEPSVKATMMG-AWEZNQCLSA-N 1 0 321.377 1.916 20 5 DDBDRO C[C@@H](O)C[N@@H+]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000284350126 217990531 /nfs/dbraw/zinc/99/05/31/217990531.db2.gz MFSPIUBWGDDFOX-SJKUQHEZSA-N 1 0 319.405 1.995 20 5 DDBDRO Cc1c(NC(=O)CC[NH2+][C@H](C)[C@H](C)CO)cccc1[N+](=O)[O-] ZINC000274011442 211268619 /nfs/dbraw/zinc/26/86/19/211268619.db2.gz LTSOIKJFOVKJKP-ZYHUDNBSSA-N 1 0 309.366 1.838 20 5 DDBDRO Cc1ccc(CN2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)cc1[N+](=O)[O-] ZINC000284432076 218025336 /nfs/dbraw/zinc/02/53/36/218025336.db2.gz SBADETLVKFJRMB-ZIAGYGMSSA-N 1 0 307.394 1.790 20 5 DDBDRO C[C@@H](O)C[NH+]1CCC(CN(C)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000105791800 194129238 /nfs/dbraw/zinc/12/92/38/194129238.db2.gz ZPEXFNKTIRVQBT-GFCCVEGCSA-N 1 0 308.382 1.519 20 5 DDBDRO COCCn1cc(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)cn1 ZINC000284985578 218246944 /nfs/dbraw/zinc/24/69/44/218246944.db2.gz GGNLCBMKBYGJTI-LLVKDONJSA-N 1 0 319.365 1.871 20 5 DDBDRO C[N@H+](CCCOC(=O)NC(N)=O)CCc1ccccc1[N+](=O)[O-] ZINC000285182789 218323224 /nfs/dbraw/zinc/32/32/24/218323224.db2.gz BXHYDBGPJFJIOB-UHFFFAOYSA-N 1 0 324.337 1.264 20 5 DDBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC[C@H]([NH+](C)C)C1 ZINC000109809734 194287580 /nfs/dbraw/zinc/28/75/80/194287580.db2.gz OGQIRIHORVTNAE-OLZOCXBDSA-N 1 0 320.393 1.948 20 5 DDBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CN(C)CCN2C)cc1[N+](=O)[O-] ZINC000268847711 207014660 /nfs/dbraw/zinc/01/46/60/207014660.db2.gz BQBWEFGGCYOTGC-DZGCQCFKSA-N 1 0 306.410 1.800 20 5 DDBDRO C[NH+](C)Cc1ccsc1C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000269127299 207262651 /nfs/dbraw/zinc/26/26/51/207262651.db2.gz YZIIOJYETBLMLA-UHFFFAOYSA-N 1 0 323.378 1.344 20 5 DDBDRO Cc1nn(CCC(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)c(C)c1[N+](=O)[O-] ZINC000269175557 207296173 /nfs/dbraw/zinc/29/61/73/207296173.db2.gz GYVYKTIVLHFWSH-GWCFXTLKSA-N 1 0 323.397 1.303 20 5 DDBDRO O=C(C[NH2+]C[C@@H]1CCCO1)NCCc1ccccc1[N+](=O)[O-] ZINC000269208544 207328007 /nfs/dbraw/zinc/32/80/07/207328007.db2.gz FXTJDZLQYAPXGH-ZDUSSCGKSA-N 1 0 307.350 1.022 20 5 DDBDRO C[C@H](NC(=O)CN(C)c1ccccc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000269220431 207340275 /nfs/dbraw/zinc/34/02/75/207340275.db2.gz SESODGJQQUNSRU-STQMWFEESA-N 1 0 320.393 1.535 20 5 DDBDRO CC(C)(C)C[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000066990457 184444744 /nfs/dbraw/zinc/44/47/44/184444744.db2.gz FJAGNJMJVUUVGU-UHFFFAOYSA-N 1 0 315.395 1.509 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000119661289 195012007 /nfs/dbraw/zinc/01/20/07/195012007.db2.gz UPSUEYMETZPXJQ-JTQLQIEISA-N 1 0 307.354 1.075 20 5 DDBDRO C[NH2+][C@H]1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000430617982 533039910 /nfs/dbraw/zinc/03/99/10/533039910.db2.gz QJRNQQYJCNIDNA-NSHDSACASA-N 1 0 303.322 1.439 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000158881243 197308743 /nfs/dbraw/zinc/30/87/43/197308743.db2.gz FHQKHSPZYMQJET-AAEUAGOBSA-N 1 0 323.397 1.335 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1CN1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000352540087 285127305 /nfs/dbraw/zinc/12/73/05/285127305.db2.gz GXUCPHPQVZWUGE-INIZCTEOSA-N 1 0 304.394 1.383 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)C[C@@H](C)O ZINC000156302869 197103008 /nfs/dbraw/zinc/10/30/08/197103008.db2.gz QCNAANTULNRZHO-SNVBAGLBSA-N 1 0 311.338 1.245 20 5 DDBDRO C[C@H]1C[NH+](C)C[C@H](C)N1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000155319646 197042976 /nfs/dbraw/zinc/04/29/76/197042976.db2.gz DKHJMEZFAGKRKW-STQMWFEESA-N 1 0 320.393 1.948 20 5 DDBDRO Cc1c([C@H](C)[NH2+]CCCn2cc(CO)nn2)cccc1[N+](=O)[O-] ZINC000289668498 221141961 /nfs/dbraw/zinc/14/19/61/221141961.db2.gz HBEIBNWQMFTKGT-LBPRGKRZSA-N 1 0 319.365 1.728 20 5 DDBDRO COCCOC[C@H](O)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000294887104 224286335 /nfs/dbraw/zinc/28/63/35/224286335.db2.gz CQZMAJFVUMBAGI-GXTWGEPZSA-N 1 0 312.366 1.578 20 5 DDBDRO Cc1cnn([C@H]2CC[N@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)c1 ZINC000289843490 221264787 /nfs/dbraw/zinc/26/47/87/221264787.db2.gz KFXMEEWSOOKIJT-ZDUSSCGKSA-N 1 0 317.349 1.208 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CC[NH2+][C@H](C)C1 ZINC000420343485 533227645 /nfs/dbraw/zinc/22/76/45/533227645.db2.gz ZKCNGBBHTDJSOM-MNOVXSKESA-N 1 0 322.365 1.224 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000414658100 224369476 /nfs/dbraw/zinc/36/94/76/224369476.db2.gz PSYFXKFJLVLIJM-JTQLQIEISA-N 1 0 308.338 1.725 20 5 DDBDRO Cc1cc(NC(=O)NC[C@H]2C[NH2+]CCCO2)ccc1[N+](=O)[O-] ZINC000415420569 224575449 /nfs/dbraw/zinc/57/54/49/224575449.db2.gz SZYSJMVRZDAQLP-GFCCVEGCSA-N 1 0 308.338 1.403 20 5 DDBDRO COc1cccc(C(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC000424010057 533402718 /nfs/dbraw/zinc/40/27/18/533402718.db2.gz XOSUDQMRCVVKRK-QWRGUYRKSA-N 1 0 307.350 1.660 20 5 DDBDRO COc1cccc(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000332238079 533418457 /nfs/dbraw/zinc/41/84/57/533418457.db2.gz HQWZMQHBXGCXIT-STQMWFEESA-N 1 0 319.361 1.960 20 5 DDBDRO C[C@@H]([NH2+][C@@H]1COCC1(C)C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000451809105 533528445 /nfs/dbraw/zinc/52/84/45/533528445.db2.gz LMNQUWJHUVDTGA-ZWNOBZJWSA-N 1 0 307.350 1.936 20 5 DDBDRO COc1cc(C(=O)N(C)C2CC([NH3+])C2)cc([N+](=O)[O-])c1OC ZINC000294723983 533509627 /nfs/dbraw/zinc/50/96/27/533509627.db2.gz BDGGRUJQQHICKC-UHFFFAOYSA-N 1 0 309.322 1.174 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC(C)(C)CC[NH3+] ZINC000422554916 291993720 /nfs/dbraw/zinc/99/37/20/291993720.db2.gz NWNANXRRNACDLE-UHFFFAOYSA-N 1 0 315.395 1.617 20 5 DDBDRO CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000353152360 285556793 /nfs/dbraw/zinc/55/67/93/285556793.db2.gz PPGZBKGVKMIZEU-KGLIPLIRSA-N 1 0 306.366 1.511 20 5 DDBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CCc2cn[nH]c2)n1 ZINC000353627034 285835387 /nfs/dbraw/zinc/83/53/87/285835387.db2.gz JMRAWMHXOILSQO-OLZOCXBDSA-N 1 0 304.354 1.830 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H]2CCN(C3CC3)C2)c1 ZINC000569449371 304354462 /nfs/dbraw/zinc/35/44/62/304354462.db2.gz KFDGLYZOTWJZRL-IUODEOHRSA-N 1 0 321.377 1.161 20 5 DDBDRO C[NH2+]C[C@@H]1CCCN1C(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000570395116 304409458 /nfs/dbraw/zinc/40/94/58/304409458.db2.gz CYKKNKFXIVHEFC-LBPRGKRZSA-N 1 0 307.350 1.356 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NCCC[N@H+]1CCCC[C@H]1C ZINC000068410434 406641015 /nfs/dbraw/zinc/64/10/15/406641015.db2.gz FAVJCNWSSKMZCU-GFCCVEGCSA-N 1 0 323.397 1.480 20 5 DDBDRO CC(C)OC(=O)CC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000072665350 406884647 /nfs/dbraw/zinc/88/46/47/406884647.db2.gz ONFNCDJTVUTWMG-GFCCVEGCSA-N 1 0 322.365 1.818 20 5 DDBDRO C[NH+](C)C[C@H]1CCCCN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000078454948 407028770 /nfs/dbraw/zinc/02/87/70/407028770.db2.gz DUNDOKHTYCIGSM-CYBMUJFWSA-N 1 0 320.393 1.949 20 5 DDBDRO CC[N@@H+]1CCC[C@@H](NC(=O)NCc2ccccc2[N+](=O)[O-])C1 ZINC000052522635 407150928 /nfs/dbraw/zinc/15/09/28/407150928.db2.gz BPSBCYFCVHBNSC-CYBMUJFWSA-N 1 0 306.366 1.878 20 5 DDBDRO COCC[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000054353620 407183674 /nfs/dbraw/zinc/18/36/74/407183674.db2.gz KHZGPLAUPTUWGV-UHFFFAOYSA-N 1 0 311.338 1.510 20 5 DDBDRO CC[N@H+](CCNC(=O)c1ccc([N+](=O)[O-])c(OC)c1)C1CC1 ZINC000101957204 407318135 /nfs/dbraw/zinc/31/81/35/407318135.db2.gz CTUYVWJVQKKVQV-UHFFFAOYSA-N 1 0 307.350 1.818 20 5 DDBDRO C[C@H]1C[C@H](N(C)C(=O)COc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000123324008 407325723 /nfs/dbraw/zinc/32/57/23/407325723.db2.gz QWGILHCXAKEIEZ-QWHCGFSZSA-N 1 0 321.377 1.915 20 5 DDBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000067457686 407273758 /nfs/dbraw/zinc/27/37/58/407273758.db2.gz BJSULLKPUKKODK-ZDUSSCGKSA-N 1 0 320.393 1.362 20 5 DDBDRO C[C@@H]1C[C@@H](N(C)CC(=O)Nc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000123565014 407333018 /nfs/dbraw/zinc/33/30/18/407333018.db2.gz GJSITHFXAWWXOF-OLZOCXBDSA-N 1 0 320.393 1.948 20 5 DDBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)[C@@H]1CCCCNC1=O ZINC000105613126 407354200 /nfs/dbraw/zinc/35/42/00/407354200.db2.gz HESBUEOKACSPDG-CQSZACIVSA-N 1 0 307.350 1.574 20 5 DDBDRO CC[N@@H+]1CC[C@H](CNC(=O)c2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000107891941 407381291 /nfs/dbraw/zinc/38/12/91/407381291.db2.gz LGVYELJWZIYYQS-LLVKDONJSA-N 1 0 307.350 1.675 20 5 DDBDRO CNC(=O)[C@H]1CCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000111267803 407404498 /nfs/dbraw/zinc/40/44/98/407404498.db2.gz JLSMYSHONQUFFX-ZDUSSCGKSA-N 1 0 321.377 1.822 20 5 DDBDRO COC[C@H]1CC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000265822724 407470360 /nfs/dbraw/zinc/47/03/60/407470360.db2.gz SFFZMFDQGPCZGC-LBPRGKRZSA-N 1 0 307.350 1.526 20 5 DDBDRO CCS(=O)(=O)CCN(C)Cc1cccc([N+](=O)[O-])c1C ZINC000128196581 407507101 /nfs/dbraw/zinc/50/71/01/407507101.db2.gz XHOMYEHFBJAETP-UHFFFAOYSA-N 1 0 300.380 1.770 20 5 DDBDRO C[NH+](C)[C@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])c1ccsc1 ZINC000270978317 407448043 /nfs/dbraw/zinc/44/80/43/407448043.db2.gz ILIGBWHJUZJLIU-SECBINFHSA-N 1 0 309.351 1.412 20 5 DDBDRO COC[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000265794797 407455148 /nfs/dbraw/zinc/45/51/48/407455148.db2.gz MYMBIOUOXNCPSH-NWDGAFQWSA-N 1 0 307.350 1.890 20 5 DDBDRO CCOc1ccc(NC(=O)CN2CCC([NH3+])CC2)c([N+](=O)[O-])c1 ZINC000261682010 407579242 /nfs/dbraw/zinc/57/92/42/407579242.db2.gz IFHLGBSLWLXRTI-UHFFFAOYSA-N 1 0 322.365 1.355 20 5 DDBDRO C[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@H]1[NH3+] ZINC000261688525 407581710 /nfs/dbraw/zinc/58/17/10/407581710.db2.gz ATHAOJGHLCBUIY-LDYMZIIASA-N 1 0 301.293 1.975 20 5 DDBDRO O=[N+]([O-])c1ccn(CCN2CC[NH2+]C[C@@H]2c2cccc(F)c2)n1 ZINC000261694043 407582003 /nfs/dbraw/zinc/58/20/03/407582003.db2.gz JDKBXOKYJMGCRM-CQSZACIVSA-N 1 0 319.340 1.577 20 5 DDBDRO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000128942255 407585063 /nfs/dbraw/zinc/58/50/63/407585063.db2.gz CVXOKHYUZUHOFG-OAHLLOKOSA-N 1 0 320.393 1.997 20 5 DDBDRO C[NH2+][C@@H](C)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000261564490 407545130 /nfs/dbraw/zinc/54/51/30/407545130.db2.gz CSJBZJOIASOXES-ZETCQYMHSA-N 1 0 307.759 1.134 20 5 DDBDRO C[C@@H](C[NH+]1CCCCCC1)NC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000186331045 407640342 /nfs/dbraw/zinc/64/03/42/407640342.db2.gz CQOZQGPHVCLVIS-NSHDSACASA-N 1 0 322.365 1.690 20 5 DDBDRO CCCN(C(=O)c1ccc([N+](=O)[O-])c(OC)c1)[C@H]1CC[NH2+]C1 ZINC000178905851 407649644 /nfs/dbraw/zinc/64/96/44/407649644.db2.gz KUGWFCGHRVWCBA-LBPRGKRZSA-N 1 0 307.350 1.818 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@](C)(C[NH3+])C1 ZINC000261871356 407651536 /nfs/dbraw/zinc/65/15/36/407651536.db2.gz SZWBJNFPADOTIQ-OAHLLOKOSA-N 1 0 306.366 1.512 20 5 DDBDRO CN(CC(=O)NCC[C@@H]1CCC[NH2+]C1)c1ccccc1[N+](=O)[O-] ZINC000152722202 407676554 /nfs/dbraw/zinc/67/65/54/407676554.db2.gz HQNIRVGOYCSIJE-ZDUSSCGKSA-N 1 0 320.393 1.537 20 5 DDBDRO CCOc1cc(C(=O)N(C)[C@H]2CC[NH2+]C2)c([N+](=O)[O-])cc1OC ZINC000179057726 407707513 /nfs/dbraw/zinc/70/75/13/407707513.db2.gz PBXXPLXBNTWHEW-JTQLQIEISA-N 1 0 323.349 1.436 20 5 DDBDRO C[NH+](C)C[C@](C)(O)CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000152884135 407709174 /nfs/dbraw/zinc/70/91/74/407709174.db2.gz PCXCMRBCEKRBLI-CYBMUJFWSA-N 1 0 315.757 1.291 20 5 DDBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3F)C[C@H]21 ZINC000262068322 407728169 /nfs/dbraw/zinc/72/81/69/407728169.db2.gz FVGOCVPNNQQEPJ-GAJTVXKRSA-N 1 0 307.325 1.933 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)NCC2([NH3+])CCCCC2)c1 ZINC000237241835 407807940 /nfs/dbraw/zinc/80/79/40/407807940.db2.gz ZSAMUTRODSENGT-UHFFFAOYSA-N 1 0 307.350 1.995 20 5 DDBDRO CO[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2C)[C@H](C[NH3+])C1 ZINC000262372462 407814518 /nfs/dbraw/zinc/81/45/18/407814518.db2.gz XOSVRJKKIYQGSO-QWHCGFSZSA-N 1 0 307.350 1.482 20 5 DDBDRO CN(C(=O)COc1cccc([N+](=O)[O-])c1)[C@H]1CCC[N@H+](C)C1 ZINC000153582331 407855041 /nfs/dbraw/zinc/85/50/41/407855041.db2.gz AZTAFLKBERKPEJ-ZDUSSCGKSA-N 1 0 307.350 1.526 20 5 DDBDRO O=[N+]([O-])c1ccc(CN2CCN([C@H]3CC[NH2+]C3)CC2)c(F)c1 ZINC000262532243 407859283 /nfs/dbraw/zinc/85/92/83/407859283.db2.gz PTVRZKOMQPPTIN-AWEZNQCLSA-N 1 0 308.357 1.213 20 5 DDBDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C1 ZINC000272317946 407864536 /nfs/dbraw/zinc/86/45/36/407864536.db2.gz STESWZNKOXCDEY-GHMZBOCLSA-N 1 0 306.366 1.470 20 5 DDBDRO O=C(NCCC[NH2+]Cc1cccnc1)c1ccccc1[N+](=O)[O-] ZINC000238048825 407878220 /nfs/dbraw/zinc/87/82/20/407878220.db2.gz KYDYZTKJBNUSDI-UHFFFAOYSA-N 1 0 314.345 1.900 20 5 DDBDRO O=C(c1n[nH]cc1[N+](=O)[O-])N1CCC[C@H]([NH+]2CCCCCC2)C1 ZINC000153689668 407881308 /nfs/dbraw/zinc/88/13/08/407881308.db2.gz DGIXUTHQSRTRDQ-LBPRGKRZSA-N 1 0 321.381 1.799 20 5 DDBDRO COc1ccc(C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000272544376 407974624 /nfs/dbraw/zinc/97/46/24/407974624.db2.gz CJDIWVPGXCXKDV-SMDDNHRTSA-N 1 0 319.361 1.770 20 5 DDBDRO CCc1n[nH]c(C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000268261565 407976923 /nfs/dbraw/zinc/97/69/23/407976923.db2.gz ZJLIJBMCKPXAKK-KWQFWETISA-N 1 0 307.354 1.093 20 5 DDBDRO C[C@H](CNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000272554502 407978742 /nfs/dbraw/zinc/97/87/42/407978742.db2.gz PCLGCJPKBBZFDS-SECBINFHSA-N 1 0 301.293 1.753 20 5 DDBDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000180754474 407915942 /nfs/dbraw/zinc/91/59/42/407915942.db2.gz JADLIZKSOJGVFY-LLVKDONJSA-N 1 0 322.365 1.018 20 5 DDBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000268151148 407916131 /nfs/dbraw/zinc/91/61/31/407916131.db2.gz UQUPASLZXMTSEW-NHYWBVRUSA-N 1 0 318.377 1.877 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CCC[N@H+](C)C1 ZINC000153968168 407942886 /nfs/dbraw/zinc/94/28/86/407942886.db2.gz CZCZHRVSAJDLPB-LBPRGKRZSA-N 1 0 307.350 1.770 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000153968278 407942912 /nfs/dbraw/zinc/94/29/12/407942912.db2.gz CZCZHRVSAJDLPB-GFCCVEGCSA-N 1 0 307.350 1.770 20 5 DDBDRO O=[N+]([O-])c1cccc(OCCN2CCOC3(CCOCC3)C2)c1 ZINC000135623963 408041156 /nfs/dbraw/zinc/04/11/56/408041156.db2.gz SKDOJDKOFOBHTP-UHFFFAOYSA-N 1 0 322.361 1.855 20 5 DDBDRO Cc1nn(CCC(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000154242914 408002663 /nfs/dbraw/zinc/00/26/63/408002663.db2.gz DYYGNPWHRFYZHN-NXEZZACHSA-N 1 0 309.370 1.007 20 5 DDBDRO Cc1c(NC(=O)CCN2CCN(C)C(=O)C2)cccc1[N+](=O)[O-] ZINC000119216139 408015252 /nfs/dbraw/zinc/01/52/52/408015252.db2.gz VBJLCKQLQODARW-UHFFFAOYSA-N 1 0 320.349 1.006 20 5 DDBDRO CN(CC(=O)NC[C@]1(C)CCC[NH2+]C1)c1ccccc1[N+](=O)[O-] ZINC000272967216 408016814 /nfs/dbraw/zinc/01/68/14/408016814.db2.gz GSRNYIYPKQIJGT-MRXNPFEDSA-N 1 0 320.393 1.537 20 5 DDBDRO C[C@@H]1CCC[C@@H](CO)[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000136171045 408085851 /nfs/dbraw/zinc/08/58/51/408085851.db2.gz KNVDZKVPTDSYKV-SNPRPXQTSA-N 1 0 324.377 1.570 20 5 DDBDRO C[C@@H](O)C[N@@H+]1CCN(CCOc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000189564110 408054235 /nfs/dbraw/zinc/05/42/35/408054235.db2.gz ICOIXYYZYNDWIM-UONOGXRCSA-N 1 0 323.393 1.361 20 5 DDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@@H]([NH3+])C[C@@H]1C ZINC000156122250 408240000 /nfs/dbraw/zinc/24/00/00/408240000.db2.gz MULUILSPZGJALJ-GXSJLCMTSA-N 1 0 313.379 1.404 20 5 DDBDRO COCCC[N@H+](C)CCNC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000175976555 408255695 /nfs/dbraw/zinc/25/56/95/408255695.db2.gz SOPQTBKZVDYAAX-UHFFFAOYSA-N 1 0 324.381 1.362 20 5 DDBDRO CC(C)[N@H+]1C[C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000155704697 408200691 /nfs/dbraw/zinc/20/06/91/408200691.db2.gz MXHDUIRISZNAAB-WFASDCNBSA-N 1 0 305.378 1.982 20 5 DDBDRO C[C@@H]1CC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@@H]1CO ZINC000190404558 408236094 /nfs/dbraw/zinc/23/60/94/408236094.db2.gz YCBSFIUNHOCDRG-IAQYHMDHSA-N 1 0 319.361 1.187 20 5 DDBDRO COc1ccccc1C[N@H+](CCO)CCn1ccc([N+](=O)[O-])n1 ZINC000176229270 408317063 /nfs/dbraw/zinc/31/70/63/408317063.db2.gz CDWJYAVUAHLUCD-UHFFFAOYSA-N 1 0 320.349 1.294 20 5 DDBDRO COC(=O)[C@@H](O)C1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000135356757 162100381 /nfs/dbraw/zinc/10/03/81/162100381.db2.gz FDXSMZZIFNCMJI-AWEZNQCLSA-N 1 0 308.334 1.341 20 5 DDBDRO C[C@H](O)[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000183202319 408352142 /nfs/dbraw/zinc/35/21/42/408352142.db2.gz UVHSEDUHHAFEIX-WDEREUQCSA-N 1 0 308.334 1.664 20 5 DDBDRO CC(C)C[C@H]([NH3+])C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000169186146 162184108 /nfs/dbraw/zinc/18/41/08/162184108.db2.gz BPRANURBPAWRMW-YPMHNXCESA-N 1 0 321.381 1.376 20 5 DDBDRO CC(=O)N(C)C1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000269641008 408370501 /nfs/dbraw/zinc/37/05/01/408370501.db2.gz JDLZEAAYRZZKBR-MRXNPFEDSA-N 1 0 321.377 1.571 20 5 DDBDRO C[C@H](C[NH3+])NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000274435023 408403533 /nfs/dbraw/zinc/40/35/33/408403533.db2.gz OPPRHYLDOPHJPH-RXMQYKEDSA-N 1 0 320.118 1.573 20 5 DDBDRO O=C(Nc1ccncc1[N+](=O)[O-])NC1CC[NH+](CC2CC2)CC1 ZINC000183563035 408442573 /nfs/dbraw/zinc/44/25/73/408442573.db2.gz DPBKOSHMOWBFGC-UHFFFAOYSA-N 1 0 319.365 1.986 20 5 DDBDRO Cc1cc([N+](=O)[O-])cnc1NC1CCN(CC[NH+](C)C)CC1 ZINC000264466134 408501930 /nfs/dbraw/zinc/50/19/30/408501930.db2.gz LTOQTOIDIXUMRV-UHFFFAOYSA-N 1 0 307.398 1.736 20 5 DDBDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000160698705 408514986 /nfs/dbraw/zinc/51/49/86/408514986.db2.gz JFGADVHGDPMOIU-CQSZACIVSA-N 1 0 307.350 1.171 20 5 DDBDRO Cc1ccc(NCCC[N@@H+]2CCC[C@H]2C(N)=O)c([N+](=O)[O-])c1 ZINC000269913049 408466618 /nfs/dbraw/zinc/46/66/18/408466618.db2.gz IRUXMTHNEDNLKR-ZDUSSCGKSA-N 1 0 306.366 1.655 20 5 DDBDRO CCCc1n[nH]c(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)c1[N+](=O)[O-] ZINC000247447304 408472004 /nfs/dbraw/zinc/47/20/04/408472004.db2.gz SLOBQXYPNJDLHK-ZYHUDNBSSA-N 1 0 323.397 1.729 20 5 DDBDRO C[NH+](C)[C@@H]1CCCN(C(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000264404746 408477690 /nfs/dbraw/zinc/47/76/90/408477690.db2.gz KIYYIJRJRSKKGL-GFCCVEGCSA-N 1 0 307.350 1.526 20 5 DDBDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000161242344 408575644 /nfs/dbraw/zinc/57/56/44/408575644.db2.gz ICXJZOBSBSSWRA-JTQLQIEISA-N 1 0 308.294 1.327 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000248575990 408588999 /nfs/dbraw/zinc/58/89/99/408588999.db2.gz DODRPVZYDNLFRH-TVYUQYBPSA-N 1 0 305.334 1.413 20 5 DDBDRO O=C1CCCN1[C@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000270825155 408696558 /nfs/dbraw/zinc/69/65/58/408696558.db2.gz BVTCILMYXHEHCC-HNNXBMFYSA-N 1 0 303.362 1.834 20 5 DDBDRO O=C(C[C@H]1CCC[NH2+]1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000194020488 408759586 /nfs/dbraw/zinc/75/95/86/408759586.db2.gz NAGOOKVCHCVUKW-CYBMUJFWSA-N 1 0 318.377 1.386 20 5 DDBDRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)CCNc3ccccc3[N+](=O)[O-])C[C@@H]12 ZINC000185199063 408777407 /nfs/dbraw/zinc/77/74/07/408777407.db2.gz JYABGXHQPBDKPN-JHJVBQTASA-N 1 0 318.377 1.593 20 5 DDBDRO C[C@H](CC[NH+](C)C)Nc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000276144922 408822836 /nfs/dbraw/zinc/82/28/36/408822836.db2.gz CWCGVXUVKQLULB-SNVBAGLBSA-N 1 0 315.395 1.750 20 5 DDBDRO CSc1cccc(C(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c1[N+](=O)[O-] ZINC000192519469 163224843 /nfs/dbraw/zinc/22/48/43/163224843.db2.gz HJMUDQYVRABBNY-PHIMTYICSA-N 1 0 321.402 1.950 20 5 DDBDRO Cc1n[nH]c(C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)c1[N+](=O)[O-] ZINC000277456014 408943853 /nfs/dbraw/zinc/94/38/53/408943853.db2.gz GORMHWORVGJFFC-NSHDSACASA-N 1 0 307.354 1.373 20 5 DDBDRO C[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]1CO ZINC000281952716 408959319 /nfs/dbraw/zinc/95/93/19/408959319.db2.gz FQKFDWBHJKQAIU-BXUZGUMPSA-N 1 0 307.350 1.626 20 5 DDBDRO C[NH+](C)C[C@@H]1CCN(c2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000286421293 408981820 /nfs/dbraw/zinc/98/18/20/408981820.db2.gz BFQTZHSLFDOEKN-VIFPVBQESA-N 1 0 307.379 1.987 20 5 DDBDRO C[N@@H+]1CC[C@]2(CCN(C(=O)COc3ccccc3[N+](=O)[O-])C2)C1 ZINC000292111182 408981908 /nfs/dbraw/zinc/98/19/08/408981908.db2.gz FVUZRMLNNBOQGI-INIZCTEOSA-N 1 0 319.361 1.528 20 5 DDBDRO C[C@H](CCCC[NH3+])NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000292225372 409005086 /nfs/dbraw/zinc/00/50/86/409005086.db2.gz ZZEHGGYWMCSHFO-GFCCVEGCSA-N 1 0 308.382 1.665 20 5 DDBDRO CN1CC[N@H+](C)[C@@H](CNc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000278156566 409074652 /nfs/dbraw/zinc/07/46/52/409074652.db2.gz AACLIJJOPTYDTL-NSHDSACASA-N 1 0 304.354 1.129 20 5 DDBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])c(F)cc1N)[N@H+](C)C1CC1 ZINC000279311300 409190154 /nfs/dbraw/zinc/19/01/54/409190154.db2.gz AVQBEAIVROXNKN-MRVPVSSYSA-N 1 0 310.329 1.529 20 5 DDBDRO COC[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CCCO1 ZINC000279046004 409138171 /nfs/dbraw/zinc/13/81/71/409138171.db2.gz JXKYMGWNARTYRY-RRFJBIMHSA-N 1 0 310.350 1.412 20 5 DDBDRO C[C@@H](C[NH+](C)C)NC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000288109027 409147006 /nfs/dbraw/zinc/14/70/06/409147006.db2.gz VIKRSGQSBSJTDC-LBPRGKRZSA-N 1 0 308.382 1.729 20 5 DDBDRO CCCc1n[nH]c(C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)c1[N+](=O)[O-] ZINC000293630259 409150309 /nfs/dbraw/zinc/15/03/09/409150309.db2.gz FFMLYUQYNHSFAH-HNNXBMFYSA-N 1 0 321.381 1.438 20 5 DDBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000283589882 409180886 /nfs/dbraw/zinc/18/08/86/409180886.db2.gz SAIDQWKQPAFTBW-AWEZNQCLSA-N 1 0 320.393 1.847 20 5 DDBDRO O=[N+]([O-])c1cccc(N2CC[NH+](CCc3cn[nH]c3)CC2)c1 ZINC000290101452 409301225 /nfs/dbraw/zinc/30/12/25/409301225.db2.gz SBRRZLBSCANWDL-UHFFFAOYSA-N 1 0 301.350 1.683 20 5 DDBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000290322972 409360394 /nfs/dbraw/zinc/36/03/94/409360394.db2.gz DOGUXVYCIQNGIN-ZYHUDNBSSA-N 1 0 320.349 1.394 20 5 DDBDRO CCO[C@H]1C[C@H]([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)C12CCC2 ZINC000296049621 409410530 /nfs/dbraw/zinc/41/05/30/409410530.db2.gz FQGQKQUSZCBTHJ-KBPBESRZSA-N 1 0 321.377 1.694 20 5 DDBDRO C[NH+](C)CCN(C(=O)c1cc([N+](=O)[O-])n[nH]1)C1CCCCC1 ZINC000285402361 409432585 /nfs/dbraw/zinc/43/25/85/409432585.db2.gz AZYURMDSAWRJQK-UHFFFAOYSA-N 1 0 309.370 1.654 20 5 DDBDRO C[N@@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])n[nH]2)[C@H]1c1ccccc1 ZINC000285492508 409465744 /nfs/dbraw/zinc/46/57/44/409465744.db2.gz AMVVQRPHEXNCQG-SMDDNHRTSA-N 1 0 315.333 1.493 20 5 DDBDRO COc1cc(C[N@H+](C)CCN2CCOCC2)ccc1[N+](=O)[O-] ZINC000352426197 164119956 /nfs/dbraw/zinc/11/99/56/164119956.db2.gz RPVMLPWOTBGIRH-UHFFFAOYSA-N 1 0 309.366 1.367 20 5 DDBDRO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000374827258 164173960 /nfs/dbraw/zinc/17/39/60/164173960.db2.gz HKVNDYGROYBMIK-UHFFFAOYSA-N 1 0 322.340 1.626 20 5 DDBDRO CCOC1CC2(C1)CC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C2 ZINC000285575439 409494279 /nfs/dbraw/zinc/49/42/79/409494279.db2.gz UTAMFORJZHXKHC-UHFFFAOYSA-N 1 0 321.377 1.648 20 5 DDBDRO C[C@H]1CN(c2c3c(ccc2[N+](=O)[O-])NCC3)CCN1CCO ZINC000302911998 409519793 /nfs/dbraw/zinc/51/97/93/409519793.db2.gz ZXANZSKTZSLSBQ-NSHDSACASA-N 1 0 306.366 1.066 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@@H]2C2CCCC2)c1 ZINC000304380557 409617925 /nfs/dbraw/zinc/61/79/25/409617925.db2.gz YGJBCMSHOCRDPS-LSDHHAIUSA-N 1 0 308.382 1.807 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@@H]2C2CCOCC2)c1 ZINC000348946814 409603196 /nfs/dbraw/zinc/60/31/96/409603196.db2.gz HLNCJNFAGKKWQM-HUUCEWRRSA-N 1 0 324.381 1.043 20 5 DDBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000342474121 409664512 /nfs/dbraw/zinc/66/45/12/409664512.db2.gz NKYCPKNBIQTKAA-OTYXRUKQSA-N 1 0 307.325 1.946 20 5 DDBDRO CC[NH+]1CCN(CC(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000342490675 409673111 /nfs/dbraw/zinc/67/31/11/409673111.db2.gz OHISAYKIZLFJOR-CYBMUJFWSA-N 1 0 320.393 1.410 20 5 DDBDRO C[NH+]1CCC(CCO)(NC(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000354141419 409689673 /nfs/dbraw/zinc/68/96/73/409689673.db2.gz DJDDJHFNFKJPOI-UHFFFAOYSA-N 1 0 321.377 1.100 20 5 DDBDRO C[C@H]1CN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@H]1[NH+](C)C ZINC000332060793 409845643 /nfs/dbraw/zinc/84/56/43/409845643.db2.gz PZCYNWJRVLFOST-XHDPSFHLSA-N 1 0 321.377 1.843 20 5 DDBDRO C[C@H](C(=O)NC[C@@](C)(O)C[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000320158951 409903201 /nfs/dbraw/zinc/90/32/01/409903201.db2.gz HUSLGYJJHFGRMD-XHDPSFHLSA-N 1 0 309.366 1.127 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000332267394 410026549 /nfs/dbraw/zinc/02/65/49/410026549.db2.gz WFAYDROHHOJYDL-NWDGAFQWSA-N 1 0 304.350 1.976 20 5 DDBDRO C[C@H](CO)[N@@H+]1CCCN(Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000346689213 410085733 /nfs/dbraw/zinc/08/57/33/410085733.db2.gz PRGSEHPLZGKLQR-GFCCVEGCSA-N 1 0 311.357 1.622 20 5 DDBDRO COC(=O)[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)[C@@H]1C ZINC000346695006 410090178 /nfs/dbraw/zinc/09/01/78/410090178.db2.gz XRTIGVQTGIDDNE-MFKMUULPSA-N 1 0 308.334 1.987 20 5 DDBDRO CCNC(=O)[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1)C(C)C ZINC000339324803 410094429 /nfs/dbraw/zinc/09/44/29/410094429.db2.gz CFICGTNCOBVBQG-CQSZACIVSA-N 1 0 309.366 1.854 20 5 DDBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC(C)(C)C[NH3+] ZINC000262556437 287119788 /nfs/dbraw/zinc/11/97/88/287119788.db2.gz YYLFBMYDNBBLAS-MRVPVSSYSA-N 1 0 315.757 1.869 20 5 DDBDRO CC(C)[C@@H]1CN(c2cccc(C(N)=O)c2[N+](=O)[O-])CC[N@@H+]1C ZINC000343206878 410236527 /nfs/dbraw/zinc/23/65/27/410236527.db2.gz OOKWTTDBELCMQW-ZDUSSCGKSA-N 1 0 306.366 1.470 20 5 DDBDRO C[C@H]1CCNC(=O)[C@H]1[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000298551618 410287652 /nfs/dbraw/zinc/28/76/52/410287652.db2.gz OFMXMHAFWFRBID-HZMBPMFUSA-N 1 0 320.349 1.038 20 5 DDBDRO O=[N+]([O-])c1c(NCCN2CCOCC2)ccc2ncccc21 ZINC000298679343 410344341 /nfs/dbraw/zinc/34/43/41/410344341.db2.gz BSRMQHHFFWLVIO-UHFFFAOYSA-N 1 0 302.334 1.887 20 5 DDBDRO C[C@@H]([NH3+])[C@H]1CCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000351856777 410294702 /nfs/dbraw/zinc/29/47/02/410294702.db2.gz WFYKWZVJQYHVRZ-NEPJUHHUSA-N 1 0 306.366 1.227 20 5 DDBDRO C[C@H]([NH3+])[C@H]1CCN([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000351858609 410295648 /nfs/dbraw/zinc/29/56/48/410295648.db2.gz BDDYDUFPIKHDRH-SRVKXCTJSA-N 1 0 306.366 1.591 20 5 DDBDRO O=C(COc1cccc([N+](=O)[O-])c1)N1CC[NH+](CC2CC2)CC1 ZINC000298836309 410417253 /nfs/dbraw/zinc/41/72/53/410417253.db2.gz CUPPXHZQLOQFDY-UHFFFAOYSA-N 1 0 319.361 1.528 20 5 DDBDRO C[C@H]1[C@H](NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CCC[N@@H+]1C ZINC000343427195 410442509 /nfs/dbraw/zinc/44/25/09/410442509.db2.gz DQVDDGJGHLUTHY-CMPLNLGQSA-N 1 0 309.370 1.125 20 5 DDBDRO CCC[C@@H]1C[NH2+]CCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000359051467 410550294 /nfs/dbraw/zinc/55/02/94/410550294.db2.gz FEFJLNAFVMPPFH-CYBMUJFWSA-N 1 0 306.366 1.268 20 5 DDBDRO CC(C)[C@H](CNc1ncc([N+](=O)[O-])cn1)[NH+]1CCN(C)CC1 ZINC000301097635 410656668 /nfs/dbraw/zinc/65/66/68/410656668.db2.gz QDRJLFLVUUDYKZ-ZDUSSCGKSA-N 1 0 308.386 1.069 20 5 DDBDRO C[N@@H+]1CCC[C@H](N2CCN(c3ccc(F)cc3[N+](=O)[O-])CC2)C1 ZINC000301309227 410695061 /nfs/dbraw/zinc/69/50/61/410695061.db2.gz XHLYPROGQZVDKQ-AWEZNQCLSA-N 1 0 322.384 1.950 20 5 DDBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000359519093 410706154 /nfs/dbraw/zinc/70/61/54/410706154.db2.gz QVMRSNAXQAYQHG-LBPRGKRZSA-N 1 0 308.382 1.880 20 5 DDBDRO CC[N@@H+]1CCCN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CC1 ZINC000301566730 410747602 /nfs/dbraw/zinc/74/76/02/410747602.db2.gz ZKGKPHCWPXXRSA-UHFFFAOYSA-N 1 0 317.349 1.776 20 5 DDBDRO Cc1ccnc(N2CCC([N@H+]3CCO[C@@H](C)C3)CC2)c1[N+](=O)[O-] ZINC000301246526 410683610 /nfs/dbraw/zinc/68/36/10/410683610.db2.gz ATDQRLAEXBCXIA-ZDUSSCGKSA-N 1 0 320.393 1.988 20 5 DDBDRO Cc1nc(N2CCC[N@@H+](C3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000301668844 410765357 /nfs/dbraw/zinc/76/53/57/410765357.db2.gz POYRNNCERYFHJV-UHFFFAOYSA-N 1 0 320.393 1.989 20 5 DDBDRO COC(=O)[C@@](C)(O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000343888467 410782328 /nfs/dbraw/zinc/78/23/28/410782328.db2.gz XHMUSFURKHDQQD-HNNXBMFYSA-N 1 0 308.334 1.483 20 5 DDBDRO CC(C)[NH+]1CCC(N(C)C(=O)c2c([N+](=O)[O-])cnn2C)CC1 ZINC000330578380 410794255 /nfs/dbraw/zinc/79/42/55/410794255.db2.gz RXZWFJXSPLCBPR-UHFFFAOYSA-N 1 0 309.370 1.273 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000330577757 410795751 /nfs/dbraw/zinc/79/57/51/410795751.db2.gz HBNUTEZEANYGQL-QWHCGFSZSA-N 1 0 320.393 1.866 20 5 DDBDRO CC(C)[N@H+](C)CCNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000301921818 410831073 /nfs/dbraw/zinc/83/10/73/410831073.db2.gz DQRQDLFDNHJLDP-UHFFFAOYSA-N 1 0 321.424 1.812 20 5 DDBDRO COc1cc(N[C@@H](C)[C@H]2CN(C)CCO2)c(F)cc1[N+](=O)[O-] ZINC000301935488 410833121 /nfs/dbraw/zinc/83/31/21/410833121.db2.gz RLDRMVVBQWTPIS-LKFCYVNXSA-N 1 0 313.329 1.874 20 5 DDBDRO O=C(NCc1ccccc1[N+](=O)[O-])N1CC[NH+]2CCC1CC2 ZINC000341203828 410934641 /nfs/dbraw/zinc/93/46/41/410934641.db2.gz HZRBBUKIAUNHKL-UHFFFAOYSA-N 1 0 304.350 1.584 20 5 DDBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])cnc2N)C[C@H]1C ZINC000353490957 411027921 /nfs/dbraw/zinc/02/79/21/411027921.db2.gz LOKGZRXUJWUTON-MNOVXSKESA-N 1 0 321.381 1.517 20 5 DDBDRO COc1c[nH+]ccc1N1CCN(c2ncc([N+](=O)[O-])cn2)CC1 ZINC000360241492 411110701 /nfs/dbraw/zinc/11/07/01/411110701.db2.gz JPZXKHRMMDSKFJ-UHFFFAOYSA-N 1 0 316.321 1.115 20 5 DDBDRO C[NH+](C)CCN(Cc1ccccc1)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000134271186 196375592 /nfs/dbraw/zinc/37/55/92/196375592.db2.gz COLRQIFGSIYDDW-UHFFFAOYSA-N 1 0 317.349 1.522 20 5 DDBDRO C[C@@H](NC(=O)NC[C@H]1C[NH2+]CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000417128078 225219435 /nfs/dbraw/zinc/21/94/35/225219435.db2.gz HSRSXUGECMBQAS-BXUZGUMPSA-N 1 0 322.365 1.334 20 5 DDBDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000417232832 225257499 /nfs/dbraw/zinc/25/74/99/225257499.db2.gz NHCUYIUIXOBYFZ-DGCLKSJQSA-N 1 0 306.366 1.516 20 5 DDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])NC[C@H]1CCC[NH2+]C1 ZINC000417771429 225434089 /nfs/dbraw/zinc/43/40/89/225434089.db2.gz VEIHDXIHJZJKLT-LBPRGKRZSA-N 1 0 306.366 1.436 20 5 DDBDRO C[N@@H+]1CC[C@@](O)(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000358038654 299054477 /nfs/dbraw/zinc/05/44/77/299054477.db2.gz BONMIRGURBLDBF-OAHLLOKOSA-N 1 0 319.317 1.137 20 5 DDBDRO Cc1cc(S(=O)(=O)NC2(C)CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000420449161 226499173 /nfs/dbraw/zinc/49/91/73/226499173.db2.gz MRSDXUIBQHSTOY-UHFFFAOYSA-N 1 0 313.379 1.324 20 5 DDBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])cn3)CC[C@H]21 ZINC000366295038 418452807 /nfs/dbraw/zinc/45/28/07/418452807.db2.gz PTQVWUVAGRYZJA-SMDDNHRTSA-N 1 0 304.350 1.546 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O ZINC000373737045 418454351 /nfs/dbraw/zinc/45/43/51/418454351.db2.gz FMRWXBWBEOBUHG-NWANDNLSSA-N 1 0 303.362 1.989 20 5 DDBDRO O=C(COc1cccc([N+](=O)[O-])c1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000373929504 418474245 /nfs/dbraw/zinc/47/42/45/418474245.db2.gz ORJPRKPDEMNBOV-QWHCGFSZSA-N 1 0 319.361 1.717 20 5 DDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@H](OCC[NH+](C)C)C1 ZINC000361047003 418572741 /nfs/dbraw/zinc/57/27/41/418572741.db2.gz UZYUOAINGCQKQE-LBPRGKRZSA-N 1 0 311.386 1.277 20 5 DDBDRO O=C(Cc1ccccc1[N+](=O)[O-])N[C@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000361077422 418578073 /nfs/dbraw/zinc/57/80/73/418578073.db2.gz BFXKDVPYSGGOLY-KBPBESRZSA-N 1 0 303.362 1.642 20 5 DDBDRO CNc1c(C(=O)NC2CC[NH+](C3CC3)CC2)cccc1[N+](=O)[O-] ZINC000361117485 418586863 /nfs/dbraw/zinc/58/68/63/418586863.db2.gz KLDOEBIPVPQEEZ-UHFFFAOYSA-N 1 0 318.377 1.993 20 5 DDBDRO C[C@H](CNc1ccc(C(N)=O)cc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000194074669 222170997 /nfs/dbraw/zinc/17/09/97/222170997.db2.gz WTPQSGBURKVXEQ-LLVKDONJSA-N 1 0 306.366 1.838 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)COc3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC000375038641 418593620 /nfs/dbraw/zinc/59/36/20/418593620.db2.gz MAZJASZGVMQJJD-IUODEOHRSA-N 1 0 319.361 1.526 20 5 DDBDRO O=C1NC(=O)[C@H]2CN(Cc3ccc(Cl)cc3[N+](=O)[O-])CC[C@@H]12 ZINC000367840326 418644314 /nfs/dbraw/zinc/64/43/14/418644314.db2.gz QDSKXAXHFFTWHW-MNOVXSKESA-N 1 0 323.736 1.343 20 5 DDBDRO O=C1NCCN1[C@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000361308678 418622275 /nfs/dbraw/zinc/62/22/75/418622275.db2.gz DYLLQWYWBLULBO-HNNXBMFYSA-N 1 0 318.377 1.627 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CN1CCC[N@@H+]([C@@H](C)CO)CC1 ZINC000375502218 418651623 /nfs/dbraw/zinc/65/16/23/418651623.db2.gz RFOYOUUEHFERSA-ZDUSSCGKSA-N 1 0 323.393 1.492 20 5 DDBDRO Cc1nc(CN(C)[C@@H]2CCN(c3ccccc3[N+](=O)[O-])C2)no1 ZINC000361780987 418710070 /nfs/dbraw/zinc/71/00/70/418710070.db2.gz BEIUZUZIHPTPLC-GFCCVEGCSA-N 1 0 317.349 1.997 20 5 DDBDRO C[NH+](C)[C@H](CNc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CC1 ZINC000359495698 418656040 /nfs/dbraw/zinc/65/60/40/418656040.db2.gz LECIJNKMZSMRQE-CYBMUJFWSA-N 1 0 317.349 2.397 20 5 DDBDRO CC[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000385849877 418738076 /nfs/dbraw/zinc/73/80/76/418738076.db2.gz XKTKIJCYDLWFLX-CHWSQXEVSA-N 1 0 307.350 1.287 20 5 DDBDRO COc1ccc(OCC[N@@H+]2CCOC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000371099097 418762023 /nfs/dbraw/zinc/76/20/23/418762023.db2.gz JQZHCGHNHAKMDL-GFCCVEGCSA-N 1 0 310.350 1.951 20 5 DDBDRO Cn1ccc(N2CC[C@@H]([NH2+]Cc3csc([N+](=O)[O-])c3)C2)n1 ZINC000371713925 418810541 /nfs/dbraw/zinc/81/05/41/418810541.db2.gz GDZACXIKJYFAPZ-LLVKDONJSA-N 1 0 307.379 1.758 20 5 DDBDRO COc1cc(N2CCC[N@@H+]([C@H](C)CO)CC2)ccc1[N+](=O)[O-] ZINC000364954102 418827834 /nfs/dbraw/zinc/82/78/34/418827834.db2.gz JLGDKYDOJOHHQG-GFCCVEGCSA-N 1 0 309.366 1.496 20 5 DDBDRO C[N@@H+]1CC[C@H](CNc2ncc([N+](=O)[O-])cn2)[C@H]1c1cccs1 ZINC000364961222 418828412 /nfs/dbraw/zinc/82/84/12/418828412.db2.gz YAOHNDLEYFUKHU-MFKMUULPSA-N 1 0 319.390 2.551 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCCC12CC[NH+](C)CC2 ZINC000372442231 418870950 /nfs/dbraw/zinc/87/09/50/418870950.db2.gz KHMNPKFXZGGDKR-UHFFFAOYSA-N 1 0 318.377 1.999 20 5 DDBDRO O=C1NC[C@H]2C[N@H+](C/C=C/c3ccccc3[N+](=O)[O-])CC[C@H]12 ZINC000365655248 418889982 /nfs/dbraw/zinc/88/99/82/418889982.db2.gz IHTQXHIZRLQKBK-RDJPRVRMSA-N 1 0 301.346 1.676 20 5 DDBDRO COc1ccc(NC(=O)CC[N@@H+]2C[C@H](O)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000411420301 418903176 /nfs/dbraw/zinc/90/31/76/418903176.db2.gz JIUDIBBQMPHMIF-WDEREUQCSA-N 1 0 323.349 1.387 20 5 DDBDRO Nc1c(C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)cc(F)cc1[N+](=O)[O-] ZINC000365252309 418846190 /nfs/dbraw/zinc/84/61/90/418846190.db2.gz VTONBAKPRCVPRS-KWQFWETISA-N 1 0 308.313 1.140 20 5 DDBDRO O=[N+]([O-])c1ccc(OC2CC[NH+]([C@H]3COC[C@@H]3O)CC2)cc1 ZINC000361312027 299838807 /nfs/dbraw/zinc/83/88/07/299838807.db2.gz ZWRCKILCHANRTF-GJZGRUSLSA-N 1 0 308.334 1.198 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@H]([NH3+])Cc3ccccc32)n1 ZINC000424082550 228226023 /nfs/dbraw/zinc/22/60/23/228226023.db2.gz WGNMQYCGCYZSPF-LLVKDONJSA-N 1 0 315.333 1.341 20 5 DDBDRO Cc1ccc(C[NH2+]CCCCS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000424171656 228240398 /nfs/dbraw/zinc/24/03/98/228240398.db2.gz MKABDIRCPPVFJH-UHFFFAOYSA-N 1 0 300.380 1.818 20 5 DDBDRO CCN1CCN(CCOc2cccc([N+](=O)[O-])c2)C(C)(C)C1=O ZINC000426119603 419388595 /nfs/dbraw/zinc/38/85/95/419388595.db2.gz ZBQNJWVBOFSKRQ-UHFFFAOYSA-N 1 0 321.377 1.916 20 5 DDBDRO C[C@H]1[NH2+]CCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000417931716 419395323 /nfs/dbraw/zinc/39/53/23/419395323.db2.gz CERXWWVYFLVHCQ-NEPJUHHUSA-N 1 0 306.366 1.529 20 5 DDBDRO C[C@@H]1C[C@@H](CO)C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000420929417 419362510 /nfs/dbraw/zinc/36/25/10/419362510.db2.gz BJNRJJAFFNBGPT-MCIONIFRSA-N 1 0 324.377 1.285 20 5 DDBDRO CN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C[C@H]1CCC[N@@H+]1C ZINC000420994084 419427501 /nfs/dbraw/zinc/42/75/01/419427501.db2.gz BTMPYLSTAUMNRJ-OAHLLOKOSA-N 1 0 320.393 1.949 20 5 DDBDRO C[C@H](NC(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)c1ccccc1[N+](=O)[O-] ZINC000417991469 419457784 /nfs/dbraw/zinc/45/77/84/419457784.db2.gz VNESZYXEIPVVKO-RWMBFGLXSA-N 1 0 318.377 1.907 20 5 DDBDRO C[C@@H]([NH3+])[C@@H](C)NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000417998417 419460526 /nfs/dbraw/zinc/46/05/26/419460526.db2.gz VFFLHGFSCMJPHK-RKDXNWHRSA-N 1 0 314.773 1.826 20 5 DDBDRO [NH3+]CCCNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000417999231 419462490 /nfs/dbraw/zinc/46/24/90/419462490.db2.gz VUWDRUANVXCJHP-UHFFFAOYSA-N 1 0 300.746 1.439 20 5 DDBDRO C[NH+](C)[C@@H](CNc1ncc([N+](=O)[O-])c(N)n1)c1cccs1 ZINC000298759948 228745089 /nfs/dbraw/zinc/74/50/89/228745089.db2.gz ZRYIQEUEQSYYFV-QMMMGPOBSA-N 1 0 308.367 1.743 20 5 DDBDRO Cc1ccc(S(=O)(=O)N[C@@H](C)CCCC[NH3+])c([N+](=O)[O-])c1 ZINC000427949387 419774921 /nfs/dbraw/zinc/77/49/21/419774921.db2.gz JQXSVIILOGLVAR-NSHDSACASA-N 1 0 315.395 1.699 20 5 DDBDRO CCC[NH2+]CCN[C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000414868322 419849724 /nfs/dbraw/zinc/84/97/24/419849724.db2.gz JWSPOIPMMQFUTQ-LBPRGKRZSA-N 1 0 308.382 1.901 20 5 DDBDRO [NH3+]C[C@H]1CCCCN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000430629367 228941006 /nfs/dbraw/zinc/94/10/06/228941006.db2.gz WMHGWEUSGMJEAW-CYBMUJFWSA-N 1 0 317.349 1.958 20 5 DDBDRO C[C@H](C[NH3+])CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000414943943 419884191 /nfs/dbraw/zinc/88/41/91/419884191.db2.gz FXPSTFJUWLLJPU-SSDOTTSWSA-N 1 0 318.280 1.913 20 5 DDBDRO O=C(NC[C@H]1CC[NH2+]C1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000418528857 419860044 /nfs/dbraw/zinc/86/00/44/419860044.db2.gz SNVCQMWXPAYTBU-NSHDSACASA-N 1 0 304.350 1.272 20 5 DDBDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(Cc2c([N+](=O)[O-])ncn2C)C[C@@H](C)C1 ZINC000429005576 419961567 /nfs/dbraw/zinc/96/15/67/419961567.db2.gz MNMRJNRJCPYETF-JHJVBQTASA-N 1 0 307.398 1.490 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])c(N2C[C@@H](C)[N@@H+](CCO)C[C@@H]2C)n1 ZINC000418994793 420042252 /nfs/dbraw/zinc/04/22/52/420042252.db2.gz IEJFYMGDEXZMRF-OLZOCXBDSA-N 1 0 308.382 1.498 20 5 DDBDRO Cc1c(CC(=O)N2CCC[C@H]3C[NH2+]C[C@H]32)cccc1[N+](=O)[O-] ZINC000423722259 420142688 /nfs/dbraw/zinc/14/26/88/420142688.db2.gz FNDVRQLFLWEAEN-DZGCQCFKSA-N 1 0 303.362 1.656 20 5 DDBDRO COc1cc(C(=O)NCC2=CC[NH2+]CC2)cc([N+](=O)[O-])c1C ZINC000423560577 420080429 /nfs/dbraw/zinc/08/04/29/420080429.db2.gz VBUVGWSHEVGQIE-UHFFFAOYSA-N 1 0 305.334 1.561 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@](C)(C[NH3+])C1CC1 ZINC000415493887 420089295 /nfs/dbraw/zinc/08/92/95/420089295.db2.gz DFGGNMDJWGJWEX-CQSZACIVSA-N 1 0 308.338 1.852 20 5 DDBDRO C[C@H]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](C[NH3+])C1 ZINC000420324823 420210941 /nfs/dbraw/zinc/21/09/41/420210941.db2.gz BCNVERRSGCYPSH-WFASDCNBSA-N 1 0 320.393 1.983 20 5 DDBDRO C[C@H]([NH3+])[C@@H]1CCCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000430571021 420143392 /nfs/dbraw/zinc/14/33/92/420143392.db2.gz NHGWQEBYURTDLU-RWMBFGLXSA-N 1 0 320.393 1.981 20 5 DDBDRO C[NH2+]C[C@@H](C)CNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000420185996 420145319 /nfs/dbraw/zinc/14/53/19/420145319.db2.gz CEADNGTUWZWYKS-SECBINFHSA-N 1 0 301.368 1.266 20 5 DDBDRO COC(=O)c1cc(C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)cc([N+](=O)[O-])c1 ZINC000423743437 420154733 /nfs/dbraw/zinc/15/47/33/420154733.db2.gz LVSJWDAUSBAXBY-BXKDBHETSA-N 1 0 321.333 1.239 20 5 DDBDRO C[C@H]([NH3+])[C@@H]1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000420241618 420164612 /nfs/dbraw/zinc/16/46/12/420164612.db2.gz VTXYYXWMSCBVEF-GXSJLCMTSA-N 1 0 303.322 1.818 20 5 DDBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC(C[NH3+])CC1 ZINC000430651133 420172360 /nfs/dbraw/zinc/17/23/60/420172360.db2.gz VSLRKLXVOFDFTQ-NSHDSACASA-N 1 0 306.366 1.593 20 5 DDBDRO C[C@@H]1CN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@H](C)[NH2+]1 ZINC000430955276 420222357 /nfs/dbraw/zinc/22/23/57/420222357.db2.gz LTGKQVDEEVMUGI-TXEJJXNPSA-N 1 0 318.377 1.166 20 5 DDBDRO C[C@@H]1CN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@@H](C)[NH2+]1 ZINC000430970479 420227709 /nfs/dbraw/zinc/22/77/09/420227709.db2.gz JXQUPTJDHJVFOX-VXGBXAGGSA-N 1 0 306.366 1.240 20 5 DDBDRO CN(C(=O)Cn1ccc([N+](=O)[O-])n1)C(C)(C)C[NH+]1CCCC1 ZINC000416103065 420247484 /nfs/dbraw/zinc/24/74/84/420247484.db2.gz HSAFFSVSQOWPQQ-UHFFFAOYSA-N 1 0 309.370 1.124 20 5 DDBDRO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000420378154 420248789 /nfs/dbraw/zinc/24/87/89/420248789.db2.gz WXEKLIDPMMSVTP-HSMVNMDESA-N 1 0 320.393 1.900 20 5 DDBDRO C[NH+](C)C[C@H](O)CN[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433124555 420249350 /nfs/dbraw/zinc/24/93/50/420249350.db2.gz DFUFHWRUKBKWQV-DOMZBBRYSA-N 1 0 307.394 1.829 20 5 DDBDRO CCCC[N@H+](C)CCNC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000433747632 420253960 /nfs/dbraw/zinc/25/39/60/420253960.db2.gz GKIPYPPXVQLXGL-UHFFFAOYSA-N 1 0 311.386 1.903 20 5 DDBDRO C[NH2+]CCN(C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000420337419 420218001 /nfs/dbraw/zinc/21/80/01/420218001.db2.gz MBPFRTVIVSWWRA-UHFFFAOYSA-N 1 0 310.354 1.083 20 5 DDBDRO C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H](C)CN1CCO ZINC000416289727 420308951 /nfs/dbraw/zinc/30/89/51/420308951.db2.gz FVYPLCBYYBZAGA-NEPJUHHUSA-N 1 0 307.350 1.122 20 5 DDBDRO C[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)[C@@H](C)C[N@@H+]1CCO ZINC000416296423 420311919 /nfs/dbraw/zinc/31/19/19/420311919.db2.gz NVKSLGUSTQTOLW-OLZOCXBDSA-N 1 0 321.377 1.051 20 5 DDBDRO NC(=O)c1cccc([N+](=O)[O-])c1NCCCC[NH+]1CCOCC1 ZINC000420584519 420322416 /nfs/dbraw/zinc/32/24/16/420322416.db2.gz KTEJSHQPJBYLPM-UHFFFAOYSA-N 1 0 322.365 1.218 20 5 DDBDRO CN(C1(C[NH3+])CCC1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000420444715 420291642 /nfs/dbraw/zinc/29/16/42/420291642.db2.gz MMIKIDAZPYHMPM-UHFFFAOYSA-N 1 0 305.381 1.158 20 5 DDBDRO CC[C@H]([NH3+])CNS(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000420458844 420301269 /nfs/dbraw/zinc/30/12/69/420301269.db2.gz CSLKUJOHTQMPBQ-JTQLQIEISA-N 1 0 301.368 1.227 20 5 DDBDRO C[C@H]1[NH2+]CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@@H]1C ZINC000436059102 420304460 /nfs/dbraw/zinc/30/44/60/420304460.db2.gz MXKSTKBNHAMXSV-GHMZBOCLSA-N 1 0 317.349 1.827 20 5 DDBDRO Cc1cc(S(=O)(=O)NC[C@@H]2CC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000416496928 420394600 /nfs/dbraw/zinc/39/46/00/420394600.db2.gz RJGVDSLQRXMUDW-NSHDSACASA-N 1 0 313.379 1.133 20 5 DDBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])c3cccnc32)CC[N@@H+]1CCO ZINC000302378942 230227073 /nfs/dbraw/zinc/22/70/73/230227073.db2.gz GFOQDYAOEUPNJG-GFCCVEGCSA-N 1 0 316.361 1.646 20 5 DDBDRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000417771377 420474212 /nfs/dbraw/zinc/47/42/12/420474212.db2.gz UZDKWMHGMFLTQV-WCQYABFASA-N 1 0 306.366 1.435 20 5 DDBDRO CC[C@H](C)[NH+]1CCN(c2ncc(C(=O)OC)cc2[N+](=O)[O-])CC1 ZINC000450853381 420544967 /nfs/dbraw/zinc/54/49/67/420544967.db2.gz BNDBDPWMSBHFNT-NSHDSACASA-N 1 0 322.365 1.697 20 5 DDBDRO Cc1cc(S(=O)(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000440441127 420576543 /nfs/dbraw/zinc/57/65/43/420576543.db2.gz NJOZHUYGCVZUDQ-CMPLNLGQSA-N 1 0 313.379 1.261 20 5 DDBDRO CC(C)(C[NH+]1CCCC1)NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000457035202 420593184 /nfs/dbraw/zinc/59/31/84/420593184.db2.gz OWEKPHOFEJEJMA-UHFFFAOYSA-N 1 0 321.377 1.964 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)/C=C\c3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000493157644 420771924 /nfs/dbraw/zinc/77/19/24/420771924.db2.gz OLPNVXGBMRMFLU-CUCMZFDFSA-N 1 0 301.346 1.771 20 5 DDBDRO C[C@@H]1C[C@@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC[NH2+]1 ZINC000447508168 420776855 /nfs/dbraw/zinc/77/68/55/420776855.db2.gz JROWCLLTDMJHON-ZJUUUORDSA-N 1 0 321.333 1.236 20 5 DDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@H](O)C(F)(F)F)n1 ZINC000447529594 420778345 /nfs/dbraw/zinc/77/83/45/420778345.db2.gz MDGYKSZSNPVGNU-BBBLOLIVSA-N 1 0 322.287 1.788 20 5 DDBDRO CCCNC(=O)CC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447527593 420779298 /nfs/dbraw/zinc/77/92/98/420779298.db2.gz FKWNVLZZWAGRFV-OLZOCXBDSA-N 1 0 323.397 1.781 20 5 DDBDRO CN1C[C@H]([NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1=O ZINC000447536831 420779572 /nfs/dbraw/zinc/77/95/72/420779572.db2.gz QHYIJESTJVYJPO-IJLUTSLNSA-N 1 0 307.354 1.095 20 5 DDBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2C[C@H](CO)[C@H](O)C2)o1 ZINC000459712818 420854858 /nfs/dbraw/zinc/85/48/58/420854858.db2.gz RTXHBDLSVLIVMA-IAQYHMDHSA-N 1 0 318.329 1.640 20 5 DDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](CO)c1ccnn1C ZINC000459719050 420856144 /nfs/dbraw/zinc/85/61/44/420856144.db2.gz RROHWKLXCMXSCC-WCQYABFASA-N 1 0 304.350 1.583 20 5 DDBDRO C[NH+](C)CCCNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000448562847 420862511 /nfs/dbraw/zinc/86/25/11/420862511.db2.gz LYXCTPYTPSXCBU-UHFFFAOYSA-N 1 0 307.350 1.626 20 5 DDBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000493527130 420872812 /nfs/dbraw/zinc/87/28/12/420872812.db2.gz RJIGPJNYNXVWRJ-VOGXCRAGSA-N 1 0 301.346 1.961 20 5 DDBDRO O=C(N[C@@H]1C[NH2+]CCC1(F)F)c1cc(F)cc([N+](=O)[O-])c1 ZINC000449667183 421053029 /nfs/dbraw/zinc/05/30/29/421053029.db2.gz QQOHEDNYYBAZDV-SNVBAGLBSA-N 1 0 303.240 1.461 20 5 DDBDRO COC[C@@](C)(O)CC[NH2+]Cc1cc(OC)c(O)cc1[N+](=O)[O-] ZINC000449386059 421002180 /nfs/dbraw/zinc/00/21/80/421002180.db2.gz SARMFNUPDWCGFR-AWEZNQCLSA-N 1 0 314.338 1.186 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCCN1CCO ZINC000449398920 421007351 /nfs/dbraw/zinc/00/73/51/421007351.db2.gz WYNKDZYNDPHJBG-ZBFHGGJFSA-N 1 0 321.421 1.962 20 5 DDBDRO CCOc1ccc(C(=O)NC[C@H]2C[NH2+]CCCO2)cc1[N+](=O)[O-] ZINC000449701809 421062234 /nfs/dbraw/zinc/06/22/34/421062234.db2.gz CKJROUFOGFNQFO-GFCCVEGCSA-N 1 0 323.349 1.102 20 5 DDBDRO CC(C)(C(=O)N[C@H](CC[NH3+])C(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000449634340 421041111 /nfs/dbraw/zinc/04/11/11/421041111.db2.gz ZZNMIQSXXKANGU-LLVKDONJSA-N 1 0 315.320 1.971 20 5 DDBDRO COc1ccc(OCC[N@@H+]2CC[C@H](CO)[C@H]2C)c([N+](=O)[O-])c1 ZINC000488753105 421111847 /nfs/dbraw/zinc/11/18/47/421111847.db2.gz QHDPAOIMYJIDDM-VXGBXAGGSA-N 1 0 310.350 1.685 20 5 DDBDRO CN1CC[N@H+](C)C[C@H]1CNc1nccc2c1cccc2[N+](=O)[O-] ZINC000450334040 421184786 /nfs/dbraw/zinc/18/47/86/421184786.db2.gz HNSWZBZZPPIRDK-GFCCVEGCSA-N 1 0 315.377 1.801 20 5 DDBDRO C[C@H](CNC(=O)c1ccnc(N)c1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000548057593 421394522 /nfs/dbraw/zinc/39/45/22/421394522.db2.gz LSOBJFYSSNSIRM-LLVKDONJSA-N 1 0 321.381 1.424 20 5 DDBDRO C[C@]1(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCOC1 ZINC000514668278 421443928 /nfs/dbraw/zinc/44/39/28/421443928.db2.gz CPYCMJYQEWYCRB-DZGCQCFKSA-N 1 0 310.350 1.351 20 5 DDBDRO C[C@H](CC[NH+](C)C)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000548813233 421475262 /nfs/dbraw/zinc/47/52/62/421475262.db2.gz QKZKEMNVOGQFDG-SECBINFHSA-N 1 0 309.322 1.394 20 5 DDBDRO CC1(C)CC[C@@H](C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])O1 ZINC000515167041 421481666 /nfs/dbraw/zinc/48/16/66/421481666.db2.gz ZKSLSARYJUGAKV-OLZOCXBDSA-N 1 0 324.377 1.882 20 5 DDBDRO C[C@@H](NC(=O)c1c[nH]nc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000549189194 421495588 /nfs/dbraw/zinc/49/55/88/421495588.db2.gz BEUGNSLVFWJYBU-MNOVXSKESA-N 1 0 321.381 1.701 20 5 DDBDRO CCC[C@@H](C)[C@@H](CO)[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000516574132 421553871 /nfs/dbraw/zinc/55/38/71/421553871.db2.gz KYURRRGZMIQAIW-DGCLKSJQSA-N 1 0 309.366 1.920 20 5 DDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C[C@@H]2CCCO2)cc1 ZINC000564118689 421570341 /nfs/dbraw/zinc/57/03/41/421570341.db2.gz KKZRMVWOESQBSQ-LBPRGKRZSA-N 1 0 314.363 1.137 20 5 DDBDRO C[C@@H]1CC[N@H+](CC(=O)NCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000554597365 421653711 /nfs/dbraw/zinc/65/37/11/421653711.db2.gz DYDQYZILULHJMH-GFCCVEGCSA-N 1 0 306.366 1.465 20 5 DDBDRO [NH3+]C[C@H]1CCCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000521976996 421808831 /nfs/dbraw/zinc/80/88/31/421808831.db2.gz PRTADJMSLMGLBG-SECBINFHSA-N 1 0 307.306 1.134 20 5 DDBDRO CC(C)n1cc([C@@H](C)[NH2+]CCn2cc([N+](=O)[O-])ccc2=O)cn1 ZINC000544469845 421845039 /nfs/dbraw/zinc/84/50/39/421845039.db2.gz XUHABNRVGIRTQP-GFCCVEGCSA-N 1 0 319.365 1.885 20 5 DDBDRO C[C@@H]1CC[N@H+](CC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000573742129 422009412 /nfs/dbraw/zinc/00/94/12/422009412.db2.gz UWVLAKBGDLPPAD-GFCCVEGCSA-N 1 0 319.361 1.658 20 5 DDBDRO CO[C@@H]1COC[C@H]1[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000574691165 422160149 /nfs/dbraw/zinc/16/01/49/422160149.db2.gz RFPTUJFJPCYXDQ-ZLKJLUDKSA-N 1 0 323.349 1.315 20 5 DDBDRO C[C@H]1CN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC[C@H]1[NH3+] ZINC000574917410 422216481 /nfs/dbraw/zinc/21/64/81/422216481.db2.gz YRCGQLWINJKCIV-WCBMZHEXSA-N 1 0 307.306 1.133 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC[C@@H](O)C[N@H+](C)C1CC1 ZINC000574982698 422227187 /nfs/dbraw/zinc/22/71/87/422227187.db2.gz HVIOKZCMDZKOCE-CQSZACIVSA-N 1 0 309.366 1.148 20 5 DDBDRO C[C@@H]1COCC[C@@H]1C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000576031465 422362866 /nfs/dbraw/zinc/36/28/66/422362866.db2.gz XHLMXBKTLHTLIA-NFAWXSAZSA-N 1 0 324.377 1.597 20 5 DDBDRO Cc1ccncc1C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000578859334 422659925 /nfs/dbraw/zinc/65/99/25/422659925.db2.gz NRYZCWYLVWEYHE-OAHLLOKOSA-N 1 0 317.345 1.828 20 5 DDBDRO NC(=O)c1cccc(N2CC[NH+](C3CCC3)CC2)c1[N+](=O)[O-] ZINC000342121337 271306750 /nfs/dbraw/zinc/30/67/50/271306750.db2.gz CXNIXJIUAOQJJH-UHFFFAOYSA-N 1 0 304.350 1.368 20 5 DDBDRO C[C@H]1[C@@H](NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CCC[N@@H+]1C ZINC000344414492 272019230 /nfs/dbraw/zinc/01/92/30/272019230.db2.gz AVDLWQIOGHIUDB-GWCFXTLKSA-N 1 0 320.349 1.132 20 5 DDBDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000345449489 272254255 /nfs/dbraw/zinc/25/42/55/272254255.db2.gz AUHRVGDZHWFGRF-GFCCVEGCSA-N 1 0 308.382 1.928 20 5 DDBDRO COc1ccc(NC(=O)[C@@H](C)N2CCC[C@@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000346090914 272409818 /nfs/dbraw/zinc/40/98/18/272409818.db2.gz LEFCTYHUVDSRFV-GHMZBOCLSA-N 1 0 322.365 1.354 20 5 DDBDRO CN(C(=O)Cc1ccccc1[N+](=O)[O-])[C@H]1C[NH+]2CCC1CC2 ZINC000347910702 272781295 /nfs/dbraw/zinc/78/12/95/272781295.db2.gz DCWXSGTZAXMBAM-HNNXBMFYSA-N 1 0 303.362 1.690 20 5 DDBDRO CSC[C@H](O)C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000187735234 274178230 /nfs/dbraw/zinc/17/82/30/274178230.db2.gz HSGWRFNPFPBZIV-GFCCVEGCSA-N 1 0 311.407 1.441 20 5 DDBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000286183488 274308984 /nfs/dbraw/zinc/30/89/84/274308984.db2.gz RMHDNWKLRNCMEP-ZDMBXUJBSA-N 1 0 322.321 1.619 20 5 DDBDRO C[C@@H]1C[N@H+](C)CCN1c1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000408102230 274334069 /nfs/dbraw/zinc/33/40/69/274334069.db2.gz BYOHAAPZWDSVHM-SECBINFHSA-N 1 0 303.322 1.384 20 5 DDBDRO CC[N@H+](CCO)CCNC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000185444711 276132807 /nfs/dbraw/zinc/13/28/07/276132807.db2.gz KXPNXIKEPFUDBJ-UHFFFAOYSA-N 1 0 324.381 1.647 20 5 DDBDRO CN1CC[NH2+]C[C@H]1CN[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000423522048 277116927 /nfs/dbraw/zinc/11/69/27/277116927.db2.gz RENADVVNARJTTA-XJKSGUPXSA-N 1 0 318.421 1.810 20 5 DDBDRO C[NH2+]C[C@H]1CCCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000417945191 277283064 /nfs/dbraw/zinc/28/30/64/277283064.db2.gz QGNWZJHBTDQTIM-CQSZACIVSA-N 1 0 320.393 1.778 20 5 DDBDRO CS[C@H]1CN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H]1[NH+](C)C ZINC000278165322 278168589 /nfs/dbraw/zinc/16/85/89/278168589.db2.gz ASWWARPGLORLCY-STQMWFEESA-N 1 0 321.406 1.953 20 5 DDBDRO C[C@H](CS(C)(=O)=O)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449148627 279364878 /nfs/dbraw/zinc/36/48/78/279364878.db2.gz UBHBUDCAZWKHJU-WDEREUQCSA-N 1 0 300.380 1.549 20 5 DDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@@H]2CC[C@@H](CO)O2)n1 ZINC000340411166 280377283 /nfs/dbraw/zinc/37/72/83/280377283.db2.gz DDYLXYDAFKTFCR-XDQVBPFNSA-N 1 0 324.381 1.405 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(N2CC[NH+](C3CCOCC3)CC2)n1 ZINC000128443643 281012295 /nfs/dbraw/zinc/01/22/95/281012295.db2.gz BSIFTWVRTCPFAV-UHFFFAOYSA-N 1 0 306.366 1.599 20 5 DDBDRO C[NH+]1CCC(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000128692013 281319595 /nfs/dbraw/zinc/31/95/95/281319595.db2.gz QZPGAKSATQIZOS-UHFFFAOYSA-N 1 0 306.366 1.465 20 5 DDBDRO COc1ccc(C[NH2+]CC[C@H](C)[S@@](C)=O)cc1[N+](=O)[O-] ZINC000129515144 281347481 /nfs/dbraw/zinc/34/74/81/281347481.db2.gz HZJGSJWQRKMZBR-FVINQWEUSA-N 1 0 300.380 1.850 20 5 DDBDRO C[N@@H+]1CC[C@@H]2OCCN(c3ncc(Cl)cc3[N+](=O)[O-])[C@H]2C1 ZINC000284576040 290169698 /nfs/dbraw/zinc/16/96/98/290169698.db2.gz OUVMIJWTABCKFZ-RYUDHWBXSA-N 1 0 312.757 1.553 20 5 DDBDRO COC(=O)C[C@@]1([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CCOC1 ZINC000361740269 299928067 /nfs/dbraw/zinc/92/80/67/299928067.db2.gz HDMAIKLHBFDECB-NBUZRDOWSA-N 1 0 320.345 1.920 20 5 DDBDRO CC[C@@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H](O)CC ZINC000572722070 304550782 /nfs/dbraw/zinc/55/07/82/304550782.db2.gz PEBRTPSRRZOKBQ-CFVMTHIKSA-N 1 0 312.366 1.474 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H](C)[C@H]1CCOC1 ZINC000162737815 298202093 /nfs/dbraw/zinc/20/20/93/298202093.db2.gz FWQJGMNMVNNYPT-NEPJUHHUSA-N 1 0 307.350 1.856 20 5 DDBDRO COc1ccc(C(=O)N2CC[N@H+](C)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000354011361 298338405 /nfs/dbraw/zinc/33/84/05/298338405.db2.gz ZQSLJQRFUFYQMJ-NSHDSACASA-N 1 0 307.350 1.770 20 5 DDBDRO C[C@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000063193846 298995569 /nfs/dbraw/zinc/99/55/69/298995569.db2.gz ODGFFQLLJPKTHC-GXFFZTMASA-N 1 0 313.379 1.485 20 5 DDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000363053466 300204381 /nfs/dbraw/zinc/20/43/81/300204381.db2.gz LBUZUQZNJMDXED-HNNXBMFYSA-N 1 0 303.362 1.834 20 5 DDBDRO CC(C)[NH+]1CCN([C@H]2CCN(c3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000363919941 300325852 /nfs/dbraw/zinc/32/58/52/300325852.db2.gz KUUBNFRMTPFQLC-HNNXBMFYSA-N 1 0 319.409 1.595 20 5 DDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@]2(CCC[C@@H]2[NH3+])C1 ZINC000367647653 300867421 /nfs/dbraw/zinc/86/74/21/300867421.db2.gz CDJGMAQVXPWQGN-ZFWWWQNUSA-N 1 0 304.350 1.521 20 5 DDBDRO COc1ccc(C(=O)N[C@@H]2CC23CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000368186126 300971655 /nfs/dbraw/zinc/97/16/55/300971655.db2.gz PJYCWQWXYHNZAZ-CYBMUJFWSA-N 1 0 305.334 1.475 20 5 DDBDRO COc1ccc(C[NH2+][C@@H]2CCc3nc[nH]c3C2)cc1[N+](=O)[O-] ZINC000368688239 301075224 /nfs/dbraw/zinc/07/52/24/301075224.db2.gz NQIQNYIGILDBSQ-LLVKDONJSA-N 1 0 302.334 1.974 20 5 DDBDRO [NH3+][C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000368805397 301090359 /nfs/dbraw/zinc/09/03/59/301090359.db2.gz JAQDEINPCQUCHK-ZSBIGDGJSA-N 1 0 304.350 1.487 20 5 DDBDRO Cc1cccc(C(=O)N2CCC[N@@H+]([C@@H](C)CO)CC2)c1[N+](=O)[O-] ZINC000368976310 301115388 /nfs/dbraw/zinc/11/53/88/301115388.db2.gz VKUPXPBBCQWQOT-ZDUSSCGKSA-N 1 0 321.377 1.432 20 5 DDBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cc([N+](=O)[O-])cnc3N)CC[C@@H]21 ZINC000369981747 301251423 /nfs/dbraw/zinc/25/14/23/301251423.db2.gz CYMBKKKSLFGHQJ-GWCFXTLKSA-N 1 0 319.365 1.128 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000370631125 301374475 /nfs/dbraw/zinc/37/44/75/301374475.db2.gz LJODJUCHDSAZEA-OAHLLOKOSA-N 1 0 305.334 1.315 20 5 DDBDRO O=C(CCn1cc([N+](=O)[O-])cn1)N1CCC[C@@H]2C[NH2+]CCC[C@@H]21 ZINC000373558331 301706832 /nfs/dbraw/zinc/70/68/32/301706832.db2.gz ABPYKVYHJQIKCM-OCCSQVGLSA-N 1 0 321.381 1.172 20 5 DDBDRO CC[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1c([N+](=O)[O-])ncn1C ZINC000375869456 302007853 /nfs/dbraw/zinc/00/78/53/302007853.db2.gz AGBULJABLODGJF-CHWSQXEVSA-N 1 0 307.398 1.777 20 5 DDBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2CCCc3c2cnn3CCO)c1 ZINC000376519217 302089735 /nfs/dbraw/zinc/08/97/35/302089735.db2.gz IGIILVDMMJECQQ-HNNXBMFYSA-N 1 0 316.361 1.951 20 5 DDBDRO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1Nc1ncc([N+](=O)[O-])cn1 ZINC000376928225 302122573 /nfs/dbraw/zinc/12/25/73/302122573.db2.gz YXJKCTPKUCRFLJ-KWCYVHTRSA-N 1 0 321.381 1.686 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2C[C@H](c3ccccc3)C2)c1 ZINC000517925389 302820545 /nfs/dbraw/zinc/82/05/45/302820545.db2.gz HZZAAYSJRAXKKR-IIAWOOMASA-N 1 0 316.361 1.688 20 5 DDBDRO [NH3+]CC[C@H](NC(=O)NCc1cccc([N+](=O)[O-])c1)C(F)F ZINC000519117798 302833791 /nfs/dbraw/zinc/83/37/91/302833791.db2.gz AFKBYWMPJJFJMH-JTQLQIEISA-N 1 0 302.281 1.377 20 5 DDBDRO [NH3+]CCCN(CC1CCCC1)C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000357346679 306877475 /nfs/dbraw/zinc/87/74/75/306877475.db2.gz ANLYHUHGLSRTRB-UHFFFAOYSA-N 1 0 323.397 1.549 20 5 DDBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532140712 303276536 /nfs/dbraw/zinc/27/65/36/303276536.db2.gz RZPWBCMYSSKWNN-VXGBXAGGSA-N 1 0 306.366 1.840 20 5 DDBDRO C[NH+](C)CCc1ccc(CNC(=O)c2c[nH]nc2[N+](=O)[O-])cc1 ZINC000555303358 303715237 /nfs/dbraw/zinc/71/52/37/303715237.db2.gz QSSDFQLETIIUEL-UHFFFAOYSA-N 1 0 317.349 1.352 20 5 DDBDRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000562800817 303894557 /nfs/dbraw/zinc/89/45/57/303894557.db2.gz XAOORVXKTNOKMJ-GWCFXTLKSA-N 1 0 308.338 1.105 20 5 DDBDRO C[NH+](C)Cc1ccc(NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000562997064 303907758 /nfs/dbraw/zinc/90/77/58/303907758.db2.gz JFCKFRZGNUYCGM-OAHLLOKOSA-N 1 0 319.365 1.326 20 5 DDBDRO Cc1nn(C)c(C(=O)Nc2ccc3c(c2)C[NH2+]C3)c1[N+](=O)[O-] ZINC000563115628 303922708 /nfs/dbraw/zinc/92/27/08/303922708.db2.gz HDFNLARGGNOKHJ-UHFFFAOYSA-N 1 0 301.306 1.492 20 5 DDBDRO COc1cc(CN2C[C@@H]3C[NH2+]C[C@H]3C2)c([N+](=O)[O-])cc1OC ZINC000359479100 306955757 /nfs/dbraw/zinc/95/57/57/306955757.db2.gz XRCOXJZFKHCCIY-RYUDHWBXSA-N 1 0 307.350 1.263 20 5 DDBDRO Cc1cccc(N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c1[N+](=O)[O-] ZINC000364638887 307048965 /nfs/dbraw/zinc/04/89/65/307048965.db2.gz SKPUUWVPDNAHEV-ZFWWWQNUSA-N 1 0 305.378 1.939 20 5 DDBDRO NC(=O)c1ccc(C[N@@H+]2CCC[C@@]23CCOC3)c([N+](=O)[O-])c1 ZINC000367456781 307094555 /nfs/dbraw/zinc/09/45/55/307094555.db2.gz CUTNCKHFIMSVJN-HNNXBMFYSA-N 1 0 305.334 1.449 20 5 DDBDRO CC(C)N(C)C(=O)[C@@H](C)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000369683721 307126622 /nfs/dbraw/zinc/12/66/22/307126622.db2.gz OIJITKJLCSMRAM-GFCCVEGCSA-N 1 0 323.397 1.684 20 5 DDBDRO O=C(NC[C@H]1CN2CCCC[C@H]2CO1)c1ccc([N+](=O)[O-])cc1 ZINC000371277312 307146369 /nfs/dbraw/zinc/14/63/69/307146369.db2.gz IOUNPRDBBAKCEV-GJZGRUSLSA-N 1 0 319.361 1.578 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000372893833 307175648 /nfs/dbraw/zinc/17/56/48/307175648.db2.gz WIQAPXKLZHSXNV-GWCFXTLKSA-N 1 0 323.324 1.323 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)n1 ZINC000427252855 307302938 /nfs/dbraw/zinc/30/29/38/307302938.db2.gz ZBACYSYQQBXXMY-NWDGAFQWSA-N 1 0 323.397 1.804 20 5 DDBDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1cc([N+](=O)[O-])cn1C ZINC000531477738 307616905 /nfs/dbraw/zinc/61/69/05/307616905.db2.gz YVXRACBKEQOCTQ-LBPRGKRZSA-N 1 0 312.370 1.020 20 5 DDBDRO CN(CCC[NH3+])C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000557168404 307865681 /nfs/dbraw/zinc/86/56/81/307865681.db2.gz WTYCPYUDFOJQSK-UHFFFAOYSA-N 1 0 308.382 1.908 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NCC1CC[NH2+]CC1 ZINC000561008935 307921550 /nfs/dbraw/zinc/92/15/50/307921550.db2.gz WLJAUINAOGNXIE-UHFFFAOYSA-N 1 0 308.338 1.725 20 5 DDBDRO CN(C(=O)CN1CCC(CC[NH3+])CC1)c1ccc([N+](=O)[O-])cc1 ZINC000565096438 308020046 /nfs/dbraw/zinc/02/00/46/308020046.db2.gz RMADJBBSZGMEHR-UHFFFAOYSA-N 1 0 320.393 1.618 20 5 DDBDRO Cc1noc(C)c1C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000565268180 308026943 /nfs/dbraw/zinc/02/69/43/308026943.db2.gz KJFKVNVGAKBLTK-LBPRGKRZSA-N 1 0 321.333 1.729 20 5 DDBDRO Cc1cccc(OC[C@H](O)C[NH2+]CCn2cc([N+](=O)[O-])cn2)c1 ZINC000565477056 308031827 /nfs/dbraw/zinc/03/18/27/308031827.db2.gz YBKYZBZZDQULSB-CQSZACIVSA-N 1 0 320.349 1.129 20 5 DDBDRO NC(=O)c1cccc(N2CC[C@H]([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000566717241 308061011 /nfs/dbraw/zinc/06/10/11/308061011.db2.gz SEEMUACNRJPOAY-NSHDSACASA-N 1 0 304.350 1.368 20 5 DDBDRO Cc1nn(C)c(C(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC000567828346 308096787 /nfs/dbraw/zinc/09/67/87/308096787.db2.gz LOBZUHOYQDBIGL-RYUDHWBXSA-N 1 0 321.381 1.098 20 5 DDBDRO [NH3+]CC[C@H]1CCCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000567915831 308099623 /nfs/dbraw/zinc/09/96/23/308099623.db2.gz VRRDWFZPHFFOOJ-SNVBAGLBSA-N 1 0 321.333 1.525 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCCc2cccc(F)c2)c1 ZINC000573712998 308250293 /nfs/dbraw/zinc/25/02/93/308250293.db2.gz HICWJAWANGOASZ-HNNXBMFYSA-N 1 0 322.340 1.514 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)Nc3ccc([N+](=O)[O-])cc3F)C[C@@H]21 ZINC000573917143 308255547 /nfs/dbraw/zinc/25/55/47/308255547.db2.gz LWLAYIZBVOPKQS-RNCFNFMXSA-N 1 0 308.313 1.902 20 5 DDBDRO O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000575765046 308279015 /nfs/dbraw/zinc/27/90/15/308279015.db2.gz WYUWCKFFUXQSFX-NXEZZACHSA-N 1 0 319.317 1.005 20 5 DDBDRO CC(C)[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cc(Cl)c1=O ZINC000576479986 308317957 /nfs/dbraw/zinc/31/79/57/308317957.db2.gz JNVXJSQBJHMXLE-SNVBAGLBSA-N 1 0 303.746 1.111 20 5 DDBDRO Cc1nn(C)c(C(=O)NCc2ccc(C[NH3+])cc2)c1[N+](=O)[O-] ZINC000577282179 308376653 /nfs/dbraw/zinc/37/66/53/308376653.db2.gz ZDOPWJYCSYUSMI-UHFFFAOYSA-N 1 0 303.322 1.025 20 5 DDBDRO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3ccc(CO)o3)CC2)n1 ZINC000581107963 308653977 /nfs/dbraw/zinc/65/39/77/308653977.db2.gz DNLFLXZGTCESRA-UHFFFAOYSA-N 1 0 306.322 1.714 20 5 DDBDRO C[NH+]1CCN(CCNc2nc3c(cc2[N+](=O)[O-])CCCC3)CC1 ZINC000583690292 336951772 /nfs/dbraw/zinc/95/17/72/336951772.db2.gz LLJHFQRWOUTTLM-UHFFFAOYSA-N 1 0 319.409 1.528 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]Cc1ccccn1 ZINC000583708801 337095076 /nfs/dbraw/zinc/09/50/76/337095076.db2.gz ZWUPMBULKUUVSF-ZDUSSCGKSA-N 1 0 303.318 1.519 20 5 DDBDRO CC(C)CSCC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000397151420 337256469 /nfs/dbraw/zinc/25/64/69/337256469.db2.gz MOAFSTMJBNVLPR-GFCCVEGCSA-N 1 0 302.400 1.131 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCC[NH2+]C(C)C ZINC000036299845 337352846 /nfs/dbraw/zinc/35/28/46/337352846.db2.gz LUSRSYUIJOIGJN-UHFFFAOYSA-N 1 0 315.395 1.570 20 5 DDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000584607747 337371814 /nfs/dbraw/zinc/37/18/14/337371814.db2.gz HFMLFSRSVJBCSG-OAHLLOKOSA-N 1 0 304.350 1.393 20 5 DDBDRO C[C@@H]1C[C@@H]1C[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000488408843 533726160 /nfs/dbraw/zinc/72/61/60/533726160.db2.gz FYCBACAEWRSQJU-GHMZBOCLSA-N 1 0 313.379 1.119 20 5 DDBDRO COC(=O)c1cc(C(=O)N[C@H]2CCC[C@H]2C[NH3+])cc([N+](=O)[O-])c1 ZINC000422865486 533741735 /nfs/dbraw/zinc/74/17/35/533741735.db2.gz OXUGVSVDKWCTAL-ZANVPECISA-N 1 0 321.333 1.239 20 5 DDBDRO COC(=O)Cc1ccc(NC[C@H](C)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000295642676 533764237 /nfs/dbraw/zinc/76/42/37/533764237.db2.gz DWNMLVPSQJJSJU-NSHDSACASA-N 1 0 309.366 1.920 20 5 DDBDRO C[C@@H](C[NH3+])CNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000447250410 533770815 /nfs/dbraw/zinc/77/08/15/533770815.db2.gz ZSOKKINDUYDZCX-ZETCQYMHSA-N 1 0 307.759 1.121 20 5 DDBDRO C[C@@H](C[NH3+])NC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000418567753 533796921 /nfs/dbraw/zinc/79/69/21/533796921.db2.gz OGVJKMLFJMVWPH-AAEUAGOBSA-N 1 0 306.366 1.831 20 5 DDBDRO C[C@@H]1CCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000424025448 533944985 /nfs/dbraw/zinc/94/49/85/533944985.db2.gz WPNWKUWOASZTCI-CHWSQXEVSA-N 1 0 320.393 1.474 20 5 DDBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@H](F)C2)c([N+](=O)[O-])c1 ZINC000451190032 534065830 /nfs/dbraw/zinc/06/58/30/534065830.db2.gz GAGVCMGOYWDJDX-JTQLQIEISA-N 1 0 311.313 1.976 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCCC[N@@H+]2CCO)c1 ZINC000452391876 534317886 /nfs/dbraw/zinc/31/78/86/534317886.db2.gz QQDXVDVQXUWGKZ-ZDUSSCGKSA-N 1 0 321.377 1.480 20 5 DDBDRO O=C(CC[C@@H]1CCC[NH2+]1)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000494542655 534445491 /nfs/dbraw/zinc/44/54/91/534445491.db2.gz DCQREHBBWZZZEQ-LBPRGKRZSA-N 1 0 306.366 1.655 20 5 DDBDRO [NH3+]CC[C@@H](NC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-])C(F)F ZINC000493275167 534637716 /nfs/dbraw/zinc/63/77/16/534637716.db2.gz XUOUJTWHNHVGGA-XCRNYIDWSA-N 1 0 317.267 1.846 20 5 DDBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](O)Cn1ccnn1 ZINC000459727652 527502074 /nfs/dbraw/zinc/50/20/74/527502074.db2.gz ZAGQDPGXEJSRBT-XCHKQJEOSA-N 1 0 317.349 1.240 20 5 DDBDRO CCO[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000452037105 527743664 /nfs/dbraw/zinc/74/36/64/527743664.db2.gz UDQIBHPGXFHKNI-MGPQQGTHSA-N 1 0 312.370 1.090 20 5 DDBDRO CC[NH+](CC)CCNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000301099792 528139454 /nfs/dbraw/zinc/13/94/54/528139454.db2.gz SPCNEWZVYANKEX-UHFFFAOYSA-N 1 0 308.338 1.679 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NCC[C@H]2CCC[NH2+]2)c1 ZINC000423584237 528610450 /nfs/dbraw/zinc/61/04/50/528610450.db2.gz MIANQDKQHKAIIX-LLVKDONJSA-N 1 0 307.350 1.865 20 5 DDBDRO CC(C)[N@@H+]1CCC[C@@H](CNc2ncc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000299391971 529014734 /nfs/dbraw/zinc/01/47/34/529014734.db2.gz RTAMYRHOPVVQDK-NSHDSACASA-N 1 0 321.381 1.621 20 5 DDBDRO C[C@@H]1CN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000820770244 606803988 /nfs/dbraw/zinc/80/39/88/606803988.db2.gz ZXKHRZLCIRHXKF-RNCFNFMXSA-N 1 0 317.353 1.161 20 5 DDBDRO C[C@H]1[C@H](C)[N@H+](C)CCN1c1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000824860761 608196993 /nfs/dbraw/zinc/19/69/93/608196993.db2.gz XSOQJIDPFURYPR-UWVGGRQHSA-N 1 0 317.353 1.304 20 5 DDBDRO CN(Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H]1CCOC1 ZINC000106857669 696628274 /nfs/dbraw/zinc/62/82/74/696628274.db2.gz IYKBSVNIDDGUFR-ZDUSSCGKSA-N 1 0 303.322 1.532 20 5 DDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CCC[N@H+](C/C=C\Cl)C2 ZINC000981764128 696907480 /nfs/dbraw/zinc/90/74/80/696907480.db2.gz NNMVCUKBWWYBLT-DNDCWNJCSA-N 1 0 313.785 1.329 20 5 DDBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N)C[NH+]1CCCC1 ZINC000195175022 697733893 /nfs/dbraw/zinc/73/38/93/697733893.db2.gz UGHQWZMQXSGXGX-NSHDSACASA-N 1 0 306.366 1.639 20 5 DDBDRO C[NH+]1CCC(ONC(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000773539933 697775935 /nfs/dbraw/zinc/77/59/35/697775935.db2.gz BEUIIPBBNLRYEO-UHFFFAOYSA-N 1 0 307.350 1.669 20 5 DDBDRO CC(C)S(=O)(=O)CC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000232778702 697789768 /nfs/dbraw/zinc/78/97/68/697789768.db2.gz UVAFEMNPFIWTJX-UHFFFAOYSA-N 1 0 300.380 1.550 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C2CCC3(CC2)OCCO3)cc1 ZINC000776273974 698090829 /nfs/dbraw/zinc/09/08/29/698090829.db2.gz BTPNCZYZQQXPLA-OAHLLOKOSA-N 1 0 322.361 1.904 20 5 DDBDRO Cc1nn(C)c(C)c1CC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776279882 698091967 /nfs/dbraw/zinc/09/19/67/698091967.db2.gz ZGBDWEDUSVEDOV-MRXNPFEDSA-N 1 0 318.377 1.811 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCC[C@H](OCCO)C2)cc1 ZINC000776585049 698122141 /nfs/dbraw/zinc/12/21/41/698122141.db2.gz RQPJJGMQMHEHPO-LSDHHAIUSA-N 1 0 310.350 1.102 20 5 DDBDRO CC(C)(CO)[NH+]1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776591826 698123673 /nfs/dbraw/zinc/12/36/73/698123673.db2.gz IAHCXFMWTPCVMG-HNNXBMFYSA-N 1 0 323.393 1.017 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH+]2CCC(OCCO)CC2)cc1 ZINC000776592934 698124162 /nfs/dbraw/zinc/12/41/62/698124162.db2.gz DDAZZAVXJXTHLO-HNNXBMFYSA-N 1 0 310.350 1.102 20 5 DDBDRO Cc1nn(CN2CC[C@@H](C[N@H+](C)CC3CC3)C2)cc1[N+](=O)[O-] ZINC000779864603 698476421 /nfs/dbraw/zinc/47/64/21/698476421.db2.gz ZYTVBQBTEYSKNI-AWEZNQCLSA-N 1 0 307.398 1.721 20 5 DDBDRO Nc1c(F)c(NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)ccc1[N+](=O)[O-] ZINC000785801488 699102618 /nfs/dbraw/zinc/10/26/18/699102618.db2.gz RENPUGLXZAKPHK-ZJUUUORDSA-N 1 0 310.329 1.591 20 5 DDBDRO C[NH+](C)[C@@H]1CCC[C@H](Nc2cc(N)c([N+](=O)[O-])c(CO)c2)C1 ZINC000786803938 699169830 /nfs/dbraw/zinc/16/98/30/699169830.db2.gz KIOWRHBBLFZTHR-WCQYABFASA-N 1 0 308.382 1.954 20 5 DDBDRO Cn1cc(C[NH2+][C@H]2CCN(C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000729682167 699484815 /nfs/dbraw/zinc/48/48/15/699484815.db2.gz OERIIDZTGDBVQR-AWEZNQCLSA-N 1 0 315.377 1.789 20 5 DDBDRO C[C@H](C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)S(C)(=O)=O ZINC000815597750 701901662 /nfs/dbraw/zinc/90/16/62/701901662.db2.gz FFSWTGAZEOKPCY-BDAKNGLRSA-N 1 0 301.368 1.261 20 5 DDBDRO CC[C@H](CO)[NH2+][C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000737387120 699739332 /nfs/dbraw/zinc/73/93/32/699739332.db2.gz KYICRECKFYREMA-VHSXEESVSA-N 1 0 311.338 1.291 20 5 DDBDRO C[NH+](C)C[C@@H]1CCN(Cn2c(=O)oc3cccc([N+](=O)[O-])c32)C1 ZINC000794631410 699820301 /nfs/dbraw/zinc/82/03/01/699820301.db2.gz CWPNZSUBGUJTNH-NSHDSACASA-N 1 0 320.349 1.344 20 5 DDBDRO CC(C)(CO)[NH+]1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000801522911 700316736 /nfs/dbraw/zinc/31/67/36/700316736.db2.gz FFKREIXGVPUYAS-UHFFFAOYSA-N 1 0 311.357 1.622 20 5 DDBDRO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCCOCC[NH+](C)C ZINC000755903658 700591083 /nfs/dbraw/zinc/59/10/83/700591083.db2.gz QZCAXQMQNQZSCO-SEYXRHQNSA-N 1 0 321.377 1.693 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NCC[N@@H+]1CCC[C@H]1C ZINC000756519254 700625410 /nfs/dbraw/zinc/62/54/10/700625410.db2.gz HVNLLUPRCPSXLW-LLVKDONJSA-N 1 0 307.350 1.818 20 5 DDBDRO CNC(=O)CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000765335518 701007837 /nfs/dbraw/zinc/00/78/37/701007837.db2.gz XLEXTWNPGDDPRX-UHFFFAOYSA-N 1 0 306.366 1.289 20 5 DDBDRO NC(=O)c1ccc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)cc1 ZINC000809734794 701683767 /nfs/dbraw/zinc/68/37/67/701683767.db2.gz LSYUNHTVHUMCMO-UHFFFAOYSA-N 1 0 314.345 1.659 20 5 DDBDRO COC(=O)C[C@@]1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCCOC1 ZINC000770672652 701289329 /nfs/dbraw/zinc/28/93/29/701289329.db2.gz BVIWDRBXBMGSMH-HNNXBMFYSA-N 1 0 308.334 1.797 20 5 DDBDRO CC[NH+](CC)CCS(=O)(=O)Oc1ccc([N+](=O)[O-])c(C)c1 ZINC000810035999 701714330 /nfs/dbraw/zinc/71/43/30/701714330.db2.gz MTPTWGXUYURTCG-UHFFFAOYSA-N 1 0 316.379 1.954 20 5 DDBDRO Cc1ccc([C@@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[NH+]2CCCC2)o1 ZINC000839621513 701756623 /nfs/dbraw/zinc/75/66/23/701756623.db2.gz AWEGIPOKBNRLKE-JHJVBQTASA-N 1 0 307.350 1.506 20 5 DDBDRO CN(C)C(=O)[C@@H]1CC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000839636459 701761829 /nfs/dbraw/zinc/76/18/29/701761829.db2.gz SJTBTCKHEMACLK-TZMCWYRMSA-N 1 0 307.350 1.038 20 5 DDBDRO COC(=O)[C@]1(C)CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000839665959 701772903 /nfs/dbraw/zinc/77/29/03/701772903.db2.gz JJUMYRBMWKJWQP-GOEBONIOSA-N 1 0 322.361 1.903 20 5 DDBDRO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[NH+](C)C ZINC000839761219 701814737 /nfs/dbraw/zinc/81/47/37/701814737.db2.gz LYPMYJQNMIXRSA-NMFUWQPSSA-N 1 0 305.378 1.768 20 5 DDBDRO COC(=O)c1cnc(N2CC[N@H+](C)C(C)(C)CC2)c([N+](=O)[O-])c1 ZINC000866112513 706621814 /nfs/dbraw/zinc/62/18/14/706621814.db2.gz DQPFZUXYYMRTBD-UHFFFAOYSA-N 1 0 322.365 1.697 20 5 DDBDRO C[N@@H+]1CCN(c2cc(N)c([N+](=O)[O-])c(CO)c2)CCC1(C)C ZINC000866113044 706621928 /nfs/dbraw/zinc/62/19/28/706621928.db2.gz PXWYYIABSTUHIF-UHFFFAOYSA-N 1 0 308.382 1.590 20 5 DDBDRO C[C@H]([NH2+]CCOC[C@H]1CCOC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815578006 701899779 /nfs/dbraw/zinc/89/97/79/701899779.db2.gz FKOFNOHCMDYKOI-RYUDHWBXSA-N 1 0 309.366 1.881 20 5 DDBDRO C[C@@H]([NH2+]C[C@H](C)S(C)(=O)=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815597751 701902201 /nfs/dbraw/zinc/90/22/01/701902201.db2.gz FFSWTGAZEOKPCY-DTWKUNHWSA-N 1 0 301.368 1.261 20 5 DDBDRO COCC[C@@H](CO)[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866352134 706679339 /nfs/dbraw/zinc/67/93/39/706679339.db2.gz HMXYMAWPOYOEAD-GWCFXTLKSA-N 1 0 300.330 1.652 20 5 DDBDRO CN(C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)[C@H](C[NH3+])C1CC1 ZINC000818003766 702550203 /nfs/dbraw/zinc/55/02/03/702550203.db2.gz DTQZDGZKUSCNJH-CQSZACIVSA-N 1 0 317.349 1.140 20 5 DDBDRO C[C@@H](CC[NH3+])NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000841855680 702589374 /nfs/dbraw/zinc/58/93/74/702589374.db2.gz LJQVBBGIDRVRNU-QMMMGPOBSA-N 1 0 300.746 1.785 20 5 DDBDRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1c1nc2ccccn2c1[N+](=O)[O-] ZINC000842047200 702663594 /nfs/dbraw/zinc/66/35/94/702663594.db2.gz MISZGXMZKAQFID-RYUDHWBXSA-N 1 0 319.365 1.134 20 5 DDBDRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000842163527 702678682 /nfs/dbraw/zinc/67/86/82/702678682.db2.gz PEVFRQXIONNIRI-NWDGAFQWSA-N 1 0 311.357 1.621 20 5 DDBDRO [NH3+]CC1(O)CCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000842512672 702730226 /nfs/dbraw/zinc/73/02/26/702730226.db2.gz VJVPCMBVIAHIOR-UHFFFAOYSA-N 1 0 313.741 1.174 20 5 DDBDRO Cc1cc(Cl)c(S(=O)(=O)N(C)C2C[NH2+]C2)cc1[N+](=O)[O-] ZINC000842867980 702785144 /nfs/dbraw/zinc/78/51/44/702785144.db2.gz XPPFIOGQOUCMCS-UHFFFAOYSA-N 1 0 319.770 1.149 20 5 DDBDRO [NH3+][C@@H](Cc1nc(CCNc2ccccc2[N+](=O)[O-])no1)C1CC1 ZINC000843184059 702835689 /nfs/dbraw/zinc/83/56/89/702835689.db2.gz DCKLQJXZAAZXME-NSHDSACASA-N 1 0 317.349 1.912 20 5 DDBDRO C[NH2+]C[C@H](C)c1nc(Cc2ccc([N+](=O)[O-])c(OC)c2)no1 ZINC000843192677 702838204 /nfs/dbraw/zinc/83/82/04/702838204.db2.gz WQXRGCQBEAEZEN-VIFPVBQESA-N 1 0 306.322 1.900 20 5 DDBDRO O=[N+]([O-])c1ccc(Cc2noc([C@H]3CC34CC[NH2+]CC4)n2)nc1 ZINC000843192722 702838508 /nfs/dbraw/zinc/83/85/08/702838508.db2.gz XZCLZIWJOGNOSD-GFCCVEGCSA-N 1 0 315.333 1.821 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CC[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000843328058 702860267 /nfs/dbraw/zinc/86/02/67/702860267.db2.gz VBTRMPXCBKZITL-SECBINFHSA-N 1 0 308.294 1.232 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)NC[C@@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000843347130 702863716 /nfs/dbraw/zinc/86/37/16/702863716.db2.gz RMKIXFJFUJVYKC-SNVBAGLBSA-N 1 0 310.310 1.525 20 5 DDBDRO CN(CCC[NH3+])C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000843348640 702864128 /nfs/dbraw/zinc/86/41/28/702864128.db2.gz UWEKXPMJZCVZNJ-UHFFFAOYSA-N 1 0 306.366 1.616 20 5 DDBDRO [NH3+]C1(CNCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CCC1 ZINC000843368084 702867625 /nfs/dbraw/zinc/86/76/25/702867625.db2.gz OQXLXNNJMDLPBO-UHFFFAOYSA-N 1 0 312.757 1.658 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H]2CC[NH2+][C@H](C)C2)cc1[N+](=O)[O-] ZINC000843471910 702888631 /nfs/dbraw/zinc/88/86/31/702888631.db2.gz PDECRQPCELBSGM-LDYMZIIASA-N 1 0 322.321 1.682 20 5 DDBDRO O=C(c1cc(F)ccc1[N+](=O)[O-])N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000843473046 702888890 /nfs/dbraw/zinc/88/88/90/702888890.db2.gz FXBODSVGFIRUAV-OAHLLOKOSA-N 1 0 307.325 1.950 20 5 DDBDRO O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)NCCC[NH2+]C1CC1 ZINC000843512671 702897685 /nfs/dbraw/zinc/89/76/85/702897685.db2.gz MOQKSAOXRIXDQN-UHFFFAOYSA-N 1 0 317.349 1.203 20 5 DDBDRO CC[C@H](CO)[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000844256590 703001470 /nfs/dbraw/zinc/00/14/70/703001470.db2.gz AORSPCWZJGURIY-SNVBAGLBSA-N 1 0 311.338 1.293 20 5 DDBDRO O=C(NCCC1CC[NH2+]CC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000846699443 703320180 /nfs/dbraw/zinc/32/01/80/703320180.db2.gz KCZFFHQQUDJMLG-UHFFFAOYSA-N 1 0 322.321 1.623 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H]1CN(C2CC2)C(=O)O1 ZINC000848577141 703564369 /nfs/dbraw/zinc/56/43/69/703564369.db2.gz JBZCQRHOQZCESP-CQSZACIVSA-N 1 0 305.334 1.976 20 5 DDBDRO O=C1O[C@H](C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CN1C1CC1 ZINC000848677639 703574719 /nfs/dbraw/zinc/57/47/19/703574719.db2.gz FHLIKWFNDDRVCR-ZIAGYGMSSA-N 1 0 321.333 1.201 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@H](O)c1cnn(C)c1 ZINC000850438083 703731136 /nfs/dbraw/zinc/73/11/36/703731136.db2.gz SMQKRVHHXJMUOR-QMTHXVAHSA-N 1 0 320.349 1.721 20 5 DDBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](CCOC(F)F)C2)nc1 ZINC000851843642 703868663 /nfs/dbraw/zinc/86/86/63/703868663.db2.gz JYYLMWVDCQTHCH-SECBINFHSA-N 1 0 302.281 1.715 20 5 DDBDRO Cc1c(C(=O)N[C@](C)(C[NH3+])C2CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000818554738 703924488 /nfs/dbraw/zinc/92/44/88/703924488.db2.gz DSRMSYGYMPTETG-CQSZACIVSA-N 1 0 322.321 1.669 20 5 DDBDRO O=C(CN1CCC[C@@H]2[NH2+]CC[C@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000866721749 706775828 /nfs/dbraw/zinc/77/58/28/706775828.db2.gz YMQDNUYUIXUGHH-WCQYABFASA-N 1 0 304.350 1.360 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H](O)c1ccc(F)cn1 ZINC000818967791 704037268 /nfs/dbraw/zinc/03/72/68/704037268.db2.gz BRYGIJFBRDTBGG-AWEZNQCLSA-N 1 0 321.308 1.961 20 5 DDBDRO Cc1noc(CCC[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC000819007040 704050253 /nfs/dbraw/zinc/05/02/53/704050253.db2.gz CVMGYJMACRAEQF-CYBMUJFWSA-N 1 0 306.322 1.542 20 5 DDBDRO O=C1CCCCN1CCC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819027984 704054550 /nfs/dbraw/zinc/05/45/50/704054550.db2.gz CPEGODWAHJWXNV-OAHLLOKOSA-N 1 0 321.377 1.620 20 5 DDBDRO O=C1CCCCN1CCC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819029148 704055028 /nfs/dbraw/zinc/05/50/28/704055028.db2.gz PBSWYQJFRVWDMH-OAHLLOKOSA-N 1 0 321.377 1.620 20 5 DDBDRO CN(CC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)CC(F)(F)F ZINC000819053118 704059868 /nfs/dbraw/zinc/05/98/68/704059868.db2.gz CKNXJOZCFHTYOH-LBPRGKRZSA-N 1 0 321.299 1.712 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H]2CCc3c[nH]nc3C2)c1 ZINC000819155068 704077596 /nfs/dbraw/zinc/07/75/96/704077596.db2.gz OKXGSMGTSRQLQO-DOMZBBRYSA-N 1 0 302.334 1.498 20 5 DDBDRO CCNC(=O)N1CC[C@@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000819160537 704078460 /nfs/dbraw/zinc/07/84/60/704078460.db2.gz GVIHYTJBQDCHHB-OCCSQVGLSA-N 1 0 322.365 1.022 20 5 DDBDRO Cc1cccc(C)c1C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000819172470 704080682 /nfs/dbraw/zinc/08/06/82/704080682.db2.gz XPEVKHLVIIXEJP-AWEZNQCLSA-N 1 0 304.350 1.559 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H]2CCn3ccnc3C2)cc1 ZINC000819244431 704094179 /nfs/dbraw/zinc/09/41/79/704094179.db2.gz KGODXMUJGXFXQW-GXTWGEPZSA-N 1 0 302.334 1.429 20 5 DDBDRO COc1ccc(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)nc1 ZINC000819265823 704097190 /nfs/dbraw/zinc/09/71/90/704097190.db2.gz JFVZXILTTYXARB-HNNXBMFYSA-N 1 0 303.318 1.822 20 5 DDBDRO C[C@@H]1COCCCN1Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853503350 704252183 /nfs/dbraw/zinc/25/21/83/704252183.db2.gz RAIZUZSUAAKGEX-GFCCVEGCSA-N 1 0 317.349 1.922 20 5 DDBDRO CN(c1ccccc1)[C@H]1CCN(Cn2nccc2[N+](=O)[O-])C1 ZINC000853585515 704276080 /nfs/dbraw/zinc/27/60/80/704276080.db2.gz QHZQGIOCMHCEEW-AWEZNQCLSA-N 1 0 301.350 1.960 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(N2CCO[C@@H](CCC[NH+](C)C)C2)n1 ZINC000853990305 704344566 /nfs/dbraw/zinc/34/45/66/704344566.db2.gz LBSQNFVVZXBHMG-ZDUSSCGKSA-N 1 0 308.382 1.845 20 5 DDBDRO C[NH+](C)CCC[C@@H]1CN(c2ccc(N)cc2[N+](=O)[O-])CCO1 ZINC000853990137 704344715 /nfs/dbraw/zinc/34/47/15/704344715.db2.gz JCDNUAPVFWZSEB-CYBMUJFWSA-N 1 0 308.382 1.724 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000821235664 704382871 /nfs/dbraw/zinc/38/28/71/704382871.db2.gz GYHAZGLZCLWHTQ-OAHLLOKOSA-N 1 0 309.366 1.254 20 5 DDBDRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cc([N+](=O)[O-])cnc1N)C2 ZINC000854739264 704446254 /nfs/dbraw/zinc/44/62/54/704446254.db2.gz SGIYKZOOFZDKNG-OAHLLOKOSA-N 1 0 319.365 1.130 20 5 DDBDRO CCN(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[C@H]1CC[N@H+](C)C1 ZINC000855362979 704481045 /nfs/dbraw/zinc/48/10/45/704481045.db2.gz QORNKHPKFMUFNV-NSHDSACASA-N 1 0 322.321 1.669 20 5 DDBDRO CCN(C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CC[N@H+](CC)C1 ZINC000855485767 704487324 /nfs/dbraw/zinc/48/73/24/704487324.db2.gz HDAFOBVEPBZZAU-LSDHHAIUSA-N 1 0 321.377 1.571 20 5 DDBDRO CC[C@H]1[NH2+]CC[C@H]1c1nc(Cc2ccc([N+](=O)[O-])cn2)no1 ZINC000822864049 705063831 /nfs/dbraw/zinc/06/38/31/705063831.db2.gz WWORJHYPBBAJCG-VXGBXAGGSA-N 1 0 303.322 1.819 20 5 DDBDRO CC(C)[C@@H]1C[N@H+](C)CCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000823179359 705163334 /nfs/dbraw/zinc/16/33/34/705163334.db2.gz MBSPJRJIJYEQHA-JKSUJKDBSA-N 1 0 307.394 1.900 20 5 DDBDRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000874837364 705194160 /nfs/dbraw/zinc/19/41/60/705194160.db2.gz IGUMGLORBWHUKB-CHWSQXEVSA-N 1 0 321.381 1.222 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000861908481 705600879 /nfs/dbraw/zinc/60/08/79/705600879.db2.gz RDMZVUNJXZWPNI-NHAGDIPZSA-N 1 0 318.377 1.293 20 5 DDBDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825118401 705603984 /nfs/dbraw/zinc/60/39/84/705603984.db2.gz SMTZNJCTSZGBEJ-KFWWJZLASA-N 1 0 319.361 1.371 20 5 DDBDRO CCOC(=O)Cc1ccc(N2CC[NH+](CC)CC2)c([N+](=O)[O-])c1 ZINC000825512821 705684817 /nfs/dbraw/zinc/68/48/17/705684817.db2.gz VLQXKSCWEHVOJG-UHFFFAOYSA-N 1 0 321.377 1.842 20 5 DDBDRO C[NH+](C)C[C@@H]1CCN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000825915485 705745235 /nfs/dbraw/zinc/74/52/35/705745235.db2.gz QXQLBSPQLYJWMG-SMDDNHRTSA-N 1 0 307.350 1.038 20 5 DDBDRO COc1ccc(CNC(=O)/C=C\[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000876612582 705783830 /nfs/dbraw/zinc/78/38/30/705783830.db2.gz QIMDXZNKTFLXRK-HWPRWLFBSA-N 1 0 319.361 1.775 20 5 DDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@@H]3CCN4CCCC[C@@H]34)C2)c1 ZINC000876935845 705930109 /nfs/dbraw/zinc/93/01/09/705930109.db2.gz RSPZKJAHXJSICT-VHMBPLKRSA-N 1 0 305.382 1.711 20 5 DDBDRO C[N@@H+]1CC[C@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3F)CC[C@H]21 ZINC000827269311 705964921 /nfs/dbraw/zinc/96/49/21/705964921.db2.gz WQWOONNHLACERH-IINYFYTJSA-N 1 0 307.325 1.900 20 5 DDBDRO C[C@@H]([NH3+])CN(C)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000877097760 705982095 /nfs/dbraw/zinc/98/20/95/705982095.db2.gz JDMJURFOGJMHNZ-CYBMUJFWSA-N 1 0 323.396 1.960 20 5 DDBDRO CN(CC(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21)c1ccccc1[N+](=O)[O-] ZINC000877278995 706046250 /nfs/dbraw/zinc/04/62/50/706046250.db2.gz QECOLLZTTLTRAR-STQMWFEESA-N 1 0 318.377 1.384 20 5 DDBDRO COc1cc(C(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)ccc1[N+](=O)[O-] ZINC000877282328 706047456 /nfs/dbraw/zinc/04/74/56/706047456.db2.gz DBPFLVDSSMXUIJ-NWDGAFQWSA-N 1 0 305.334 1.570 20 5 DDBDRO COc1ccc(CC(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)cc1[N+](=O)[O-] ZINC000877376284 706085652 /nfs/dbraw/zinc/08/56/52/706085652.db2.gz QAHNNXKAVFXEEH-BLLLJJGKSA-N 1 0 319.361 1.214 20 5 DDBDRO CCCN1C[C@H](C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CC1=O ZINC000877595003 706153112 /nfs/dbraw/zinc/15/31/12/706153112.db2.gz PFUBOCTZGSHGBL-HIFPTAJRSA-N 1 0 321.381 1.343 20 5 DDBDRO CC(C)C[N@@H+]1CCO[C@@H](CNc2ccnc(F)c2[N+](=O)[O-])C1 ZINC000881772863 707361686 /nfs/dbraw/zinc/36/16/86/707361686.db2.gz DSLIHNPTYBZJIG-NSHDSACASA-N 1 0 312.345 1.898 20 5 DDBDRO O=[N+]([O-])c1cccc([N+](=O)[O-])c1NC[C@@H]1CCC[N@H+]1CCCO ZINC000828421713 706176817 /nfs/dbraw/zinc/17/68/17/706176817.db2.gz LZIKCMNPTRKKFJ-NSHDSACASA-N 1 0 324.337 1.762 20 5 DDBDRO O=[N+]([O-])c1c(NC[C@H]2CCCC[N@H+]2CCO)nc2ccccn21 ZINC000828461293 706184326 /nfs/dbraw/zinc/18/43/26/706184326.db2.gz RINPJDQMMKUOJL-GFCCVEGCSA-N 1 0 319.365 1.501 20 5 DDBDRO C[C@@H]([NH2+]CCN1CCC(O)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872078884 707288502 /nfs/dbraw/zinc/28/85/02/707288502.db2.gz UACHEWDQYLIHRK-LLVKDONJSA-N 1 0 311.357 1.841 20 5 DDBDRO CC1(C)CO[C@H](C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000872243749 707346295 /nfs/dbraw/zinc/34/62/95/707346295.db2.gz UZMBYGKDVPZFRK-STQMWFEESA-N 1 0 324.377 1.739 20 5 DDBDRO COc1cc(C(=O)N2CC[NH2+]CCC2(C)C)ccc1[N+](=O)[O-] ZINC000872292478 707368714 /nfs/dbraw/zinc/36/87/14/707368714.db2.gz WOILWTHUDGENAA-UHFFFAOYSA-N 1 0 307.350 1.818 20 5 DDBDRO C[N@@H+]1CCC[C@H](N2CCN(c3ccnc(F)c3[N+](=O)[O-])CC2)C1 ZINC000881985495 707455025 /nfs/dbraw/zinc/45/50/25/707455025.db2.gz NRVAJDSPWWLDDP-LBPRGKRZSA-N 1 0 323.372 1.345 20 5 DDBDRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2c1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000872779586 707596682 /nfs/dbraw/zinc/59/66/82/707596682.db2.gz GTERTWXKJNRIIW-ZIAGYGMSSA-N 1 0 306.366 1.342 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(N2CCC([N@H+]3CCOC[C@@H]3C)CC2)n1 ZINC000882540611 707688260 /nfs/dbraw/zinc/68/82/60/707688260.db2.gz UHUVSQIUHBADNK-ZDUSSCGKSA-N 1 0 320.393 1.988 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(N2CCC([N@H+]3CCOC[C@H]3C)CC2)n1 ZINC000882540610 707688785 /nfs/dbraw/zinc/68/87/85/707688785.db2.gz UHUVSQIUHBADNK-CYBMUJFWSA-N 1 0 320.393 1.988 20 5 DDBDRO Cc1ccc(C[NH2+][C@H](C2CC2)[C@H]2CNCCO2)cc1[N+](=O)[O-] ZINC000873251848 707785994 /nfs/dbraw/zinc/78/59/94/707785994.db2.gz LVJODEQCTFBPRN-HZPDHXFCSA-N 1 0 305.378 1.760 20 5 DDBDRO C[C@@H]1CN(c2c([N+](=O)[O-])ncn2C)CCN1c1cc[nH+]cc1 ZINC000882822374 707809310 /nfs/dbraw/zinc/80/93/10/707809310.db2.gz GRSJZPLEVIYXSJ-LLVKDONJSA-N 1 0 302.338 1.438 20 5 DDBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+][C@H](CO)CC(F)F)OCCO2 ZINC000883104066 707927863 /nfs/dbraw/zinc/92/78/63/707927863.db2.gz NUVVTZSCBUMMKC-VIFPVBQESA-N 1 0 318.276 1.472 20 5 DDBDRO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839463372 708049256 /nfs/dbraw/zinc/04/92/56/708049256.db2.gz OKRPWTBLJHUPAR-KFWWJZLASA-N 1 0 303.362 1.605 20 5 DDBDRO C[C@@](O)(C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)C(F)F ZINC000886174915 708710337 /nfs/dbraw/zinc/71/03/37/708710337.db2.gz MEUBHUJDMBIOKN-GFCCVEGCSA-N 1 0 304.297 1.444 20 5 DDBDRO CN(C)S(=O)(=O)C1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000886322079 708742503 /nfs/dbraw/zinc/74/25/03/708742503.db2.gz LFTQTPMRHSWAEY-UHFFFAOYSA-N 1 0 313.379 1.108 20 5 DDBDRO Cc1ccccc1[C@@H](CO)[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000886433800 708760315 /nfs/dbraw/zinc/76/03/15/708760315.db2.gz UXPBEQRZQBPZRZ-OAHLLOKOSA-N 1 0 304.350 1.765 20 5 DDBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(O)(COCCO)CC1 ZINC000886736543 708829161 /nfs/dbraw/zinc/82/91/61/708829161.db2.gz CUNKMTVDEKWMKI-CYBMUJFWSA-N 1 0 324.377 1.492 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC([NH2+]C2CCC2)CC1 ZINC000889835037 709652290 /nfs/dbraw/zinc/65/22/90/709652290.db2.gz CRFMKSMTYNSVTE-UHFFFAOYSA-N 1 0 321.381 1.233 20 5 DDBDRO C[NH+]1CCC(OCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1 ZINC000901713764 710129691 /nfs/dbraw/zinc/12/96/91/710129691.db2.gz FNZOMLIAGOSOHX-UHFFFAOYSA-N 1 0 319.361 1.595 20 5 DDBDRO COc1c(O)ccc(C[N@@H+]2CCC[C@@H](CCO)C2)c1[N+](=O)[O-] ZINC000891949022 710335838 /nfs/dbraw/zinc/33/58/38/710335838.db2.gz YDQVGKBGZMIPJL-NSHDSACASA-N 1 0 310.350 1.903 20 5 DDBDRO Cn1c2ccccc2c(NC[C@@H]2CCC[N@@H+]2C)c([N+](=O)[O-])c1=O ZINC000892007845 710351777 /nfs/dbraw/zinc/35/17/77/710351777.db2.gz NMFSBDGZPSIMNM-NSHDSACASA-N 1 0 316.361 1.953 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@]2(C)C[NH+]3CCC2CC3)n1 ZINC000892773965 710496433 /nfs/dbraw/zinc/49/64/33/710496433.db2.gz LZUBVZYXPKZCJP-CQSZACIVSA-N 1 0 307.354 1.025 20 5 DDBDRO C[C@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000893026414 710543822 /nfs/dbraw/zinc/54/38/22/710543822.db2.gz MXNALHLYDRBDCL-STQMWFEESA-N 1 0 323.397 1.513 20 5 DDBDRO C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000893069434 710550205 /nfs/dbraw/zinc/55/02/05/710550205.db2.gz STPVRIJJNJQWJF-YPMHNXCESA-N 1 0 312.391 1.550 20 5 DDBDRO C[C@H]1[C@@H](NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000928452037 713203246 /nfs/dbraw/zinc/20/32/46/713203246.db2.gz MNJPKXBZVBTAQL-WFASDCNBSA-N 1 0 320.393 1.996 20 5 DDBDRO C[C@@H]1[C@@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000928456455 713205033 /nfs/dbraw/zinc/20/50/33/713205033.db2.gz RPLYOWIDVQDINW-MFKMUULPSA-N 1 0 318.377 1.992 20 5 DDBDRO COc1cc(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000928457570 713205236 /nfs/dbraw/zinc/20/52/36/713205236.db2.gz XJIMFBWRCBCTSG-GXSJLCMTSA-N 1 0 323.349 1.434 20 5 DDBDRO CCOC(=O)c1ccnc(N2CC[C@H]3C[N@H+](C)C[C@H]32)c1[N+](=O)[O-] ZINC000893941812 710893885 /nfs/dbraw/zinc/89/38/85/710893885.db2.gz WWXPVMKHDVDUOZ-CMPLNLGQSA-N 1 0 320.349 1.307 20 5 DDBDRO COc1cc([C@@H](C)[NH2+][C@@H](C)C(=O)NCCF)cc([N+](=O)[O-])c1 ZINC000903168142 711053529 /nfs/dbraw/zinc/05/35/29/711053529.db2.gz SMTAJTZLBMGAQJ-ZJUUUORDSA-N 1 0 313.329 1.728 20 5 DDBDRO CCN1C[C@@H]([NH2+][C@H](C)c2cc(OC)cc([N+](=O)[O-])c2)CC1=O ZINC000903177750 711056187 /nfs/dbraw/zinc/05/61/87/711056187.db2.gz AYIPMWBQVXSKPX-PWSUYJOCSA-N 1 0 307.350 1.875 20 5 DDBDRO COC(=O)[C@H]1[C@@H](C[NH2+]CCc2cccc([N+](=O)[O-])c2)C1(F)F ZINC000894365622 711089403 /nfs/dbraw/zinc/08/94/03/711089403.db2.gz DZVMKRYZHQGARA-VXGBXAGGSA-N 1 0 314.288 1.781 20 5 DDBDRO CC[C@@H](CN1CCOCC1)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000903342255 711098268 /nfs/dbraw/zinc/09/82/68/711098268.db2.gz CJLYBYCXHVJGHR-JSGCOSHPSA-N 1 0 322.409 1.938 20 5 DDBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCCc1nnnn1C ZINC000903352170 711101148 /nfs/dbraw/zinc/10/11/48/711101148.db2.gz SPFZDSBPEXWJSB-SNVBAGLBSA-N 1 0 322.344 1.411 20 5 DDBDRO C[C@H](NC(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000895066214 711394751 /nfs/dbraw/zinc/39/47/51/711394751.db2.gz IXSTZRZUVUBPMV-FPMFFAJLSA-N 1 0 318.377 1.859 20 5 DDBDRO C[C@@H](Nc1ncc(Cl)cc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCN1C ZINC000895247513 711464711 /nfs/dbraw/zinc/46/47/11/711464711.db2.gz VFFJIHKBBUNXPW-SKDRFNHKSA-N 1 0 313.789 1.689 20 5 DDBDRO C[NH+](C)CC[C@@H]1CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000895324839 711484157 /nfs/dbraw/zinc/48/41/57/711484157.db2.gz LBTQLEIABSAVJS-LLVKDONJSA-N 1 0 306.366 1.472 20 5 DDBDRO CNC(=O)C1([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CCOCC1 ZINC000895883374 711636909 /nfs/dbraw/zinc/63/69/09/711636909.db2.gz DKPWAHGYOBESRC-XQRVVYSFSA-N 1 0 319.361 1.493 20 5 DDBDRO CC[C@H]([NH2+]CC[N+](=O)[O-])[C@H](c1ccc(C)cc1)n1cncn1 ZINC000905185541 711962178 /nfs/dbraw/zinc/96/21/78/711962178.db2.gz CGXITHDNGGHOSC-GJZGRUSLSA-N 1 0 303.366 1.821 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@@H]2COC3(CCC3)C2)c1 ZINC000905449533 712040700 /nfs/dbraw/zinc/04/07/00/712040700.db2.gz FBOVLEPTZVNXKX-JSGCOSHPSA-N 1 0 322.361 1.636 20 5 DDBDRO O=[N+]([O-])CC[NH2+]CC1(c2ccccc2)CC(O)(C(F)(F)F)C1 ZINC000905693198 712120197 /nfs/dbraw/zinc/12/01/97/712120197.db2.gz AMSVFVJHZPCCCR-UHFFFAOYSA-N 1 0 318.295 1.878 20 5 DDBDRO [NH3+]CC1CCN(C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC000906628249 712374185 /nfs/dbraw/zinc/37/41/85/712374185.db2.gz RYUDZMSXDAOYDT-HUUCEWRRSA-N 1 0 303.362 1.896 20 5 DDBDRO CCOc1ccc(C(=O)NC2CC([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000908009537 712665265 /nfs/dbraw/zinc/66/52/65/712665265.db2.gz DZZUIOJNQMQUCD-UHFFFAOYSA-N 1 0 307.350 1.816 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C1CN(C)CC[N@H+](C)C1 ZINC000908269811 712725345 /nfs/dbraw/zinc/72/53/45/712725345.db2.gz WDAYFVAWQIZOFZ-UHFFFAOYSA-N 1 0 320.393 1.644 20 5 DDBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+][C@H]1COC[C@@H]1C1CC1)OCCO2 ZINC000914433375 713395091 /nfs/dbraw/zinc/39/50/91/713395091.db2.gz OKWNYJZTDFRPHZ-OLZOCXBDSA-N 1 0 320.345 1.881 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC000929090338 713543787 /nfs/dbraw/zinc/54/37/87/713543787.db2.gz BDLYBPKHKQYGKA-GXFFZTMASA-N 1 0 320.349 1.771 20 5 DDBDRO O=[N+]([O-])c1cccc(C[N@@H+](C[C@H](O)C2(O)CCC2)C2CC2)c1 ZINC000929853341 713707138 /nfs/dbraw/zinc/70/71/38/713707138.db2.gz LYDONWWDJYYHMX-HNNXBMFYSA-N 1 0 306.362 1.835 20 5 DDBDRO CCOCCOCC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000929987474 713729618 /nfs/dbraw/zinc/72/96/18/713729618.db2.gz JYJLLHMCJHRKKR-CYBMUJFWSA-N 1 0 324.381 1.529 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@H]([NH+](C)C)[C@@H]1C ZINC000931045692 713990098 /nfs/dbraw/zinc/99/00/98/713990098.db2.gz QFAPQQDJDHOTRW-STQMWFEESA-N 1 0 320.393 1.866 20 5 DDBDRO C[N@H+]1C[C@H]2CC[C@@H](C1)N2C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000931397338 714084199 /nfs/dbraw/zinc/08/41/99/714084199.db2.gz MGTPOFDLVCYROM-QLFBSQMISA-N 1 0 321.377 1.113 20 5 DDBDRO CC[C@H](CN1CCOCC1)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000922593374 714096129 /nfs/dbraw/zinc/09/61/29/714096129.db2.gz ZXWZECVOIGBEPA-CYBMUJFWSA-N 1 0 311.357 1.934 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000931720609 714168865 /nfs/dbraw/zinc/16/88/65/714168865.db2.gz SYWPOAHYXFCAEG-NUEKZKHPSA-N 1 0 305.378 1.797 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCO[C@H]1CCOC1 ZINC000922938625 714192527 /nfs/dbraw/zinc/19/25/27/714192527.db2.gz GYQOVGFKTYEARE-AWEZNQCLSA-N 1 0 310.350 1.889 20 5 DDBDRO COC(=O)C[C@@H]1C[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000932104366 714259814 /nfs/dbraw/zinc/25/98/14/714259814.db2.gz FIOUHMBSJVCHDD-UXIGCNINSA-N 1 0 322.361 1.759 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)CN2CCC[C@@H]3C[NH2+]CC[C@H]32)c1 ZINC000923413769 714348003 /nfs/dbraw/zinc/34/80/03/714348003.db2.gz GZUSNTRYHHAZFG-FVQBIDKESA-N 1 0 305.378 1.702 20 5 DDBDRO Cn1cc(C[N@@H+]2CCC[C@H](C3CCOCC3)C2)c([N+](=O)[O-])n1 ZINC000933088977 714514523 /nfs/dbraw/zinc/51/45/23/714514523.db2.gz NXFJITWUOQYZOJ-ZDUSSCGKSA-N 1 0 308.382 1.967 20 5 DDBDRO C[N@@H+]1C[C@@H]2CN(CCOc3cccc([N+](=O)[O-])c3)C[C@]2(C)C1 ZINC000933743278 714660785 /nfs/dbraw/zinc/66/07/85/714660785.db2.gz MPUKIXQHTMNQBD-CJNGLKHVSA-N 1 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ZINC000934838779 714914200 /nfs/dbraw/zinc/91/42/00/714914200.db2.gz OZFOKYWGXRIRGD-ZIAGYGMSSA-N 1 0 308.382 1.930 20 5 DDBDRO O=[N+]([O-])c1cc(Br)ccc1CN[C@@H]1CC[NH2+]C1 ZINC000925762135 714929944 /nfs/dbraw/zinc/92/99/44/714929944.db2.gz HRLZTTUCBMGAMN-SNVBAGLBSA-N 1 0 300.156 1.809 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000935724087 715122372 /nfs/dbraw/zinc/12/23/72/715122372.db2.gz HDDBLMDLJJRMPZ-LBPRGKRZSA-N 1 0 323.397 1.336 20 5 DDBDRO Cc1cc(Cl)nc(N2C[C@H]3COC[C@@H](C2)C3[NH3+])c1[N+](=O)[O-] ZINC001167185531 732812346 /nfs/dbraw/zinc/81/23/46/732812346.db2.gz GRTPMPZGSMRGKR-SLHIUPAKSA-N 1 0 312.757 1.362 20 5 DDBDRO CC1(C)CC(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001025776703 736853308 /nfs/dbraw/zinc/85/33/08/736853308.db2.gz FRLZVUBFRWKXCT-RGDJUOJXSA-N 1 0 307.394 1.134 20 5 DDBDRO COC1(CC(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])CCC1 ZINC001126317390 739046758 /nfs/dbraw/zinc/04/67/58/739046758.db2.gz UUNOAPHJWBCZED-UHFFFAOYSA-N 1 0 321.377 1.760 20 5 DDBDRO COC(=O)[C@@H](CCC[NH3+])Nc1c(Cl)nccc1[N+](=O)[O-] ZINC001167895488 739197895 /nfs/dbraw/zinc/19/78/95/739197895.db2.gz HYKBBCJWGFHZML-SSDOTTSWSA-N 1 0 302.718 1.336 20 5 DDBDRO NC(=[NH2+])c1nccn1-c1ccc(OC(F)(F)F)c([N+](=O)[O-])c1 ZINC001168417233 744333671 /nfs/dbraw/zinc/33/36/71/744333671.db2.gz CVHZEBPHYQHLJF-UHFFFAOYSA-N 1 0 315.211 1.963 20 5 DDBDRO Cc1ccc(C[NH+]2CC(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c(C)c1 ZINC001031662757 747337292 /nfs/dbraw/zinc/33/72/92/747337292.db2.gz LKPDZVOFJPWQLP-HZPDHXFCSA-N 1 0 317.389 1.517 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)n1 ZINC001128982755 750630309 /nfs/dbraw/zinc/63/03/09/750630309.db2.gz QZRJEDSPXZHCTM-YOGCLGLASA-N 1 0 304.350 1.653 20 5 DDBDRO O=C(NCC1=CC[N@H+](Cc2ccccc2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001000673528 762077841 /nfs/dbraw/zinc/07/78/41/762077841.db2.gz GCGWVIMGOINMKZ-HZPDHXFCSA-N 1 0 315.373 1.600 20 5 DDBDRO COC(=O)C[C@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1cccnc1 ZINC001168985251 762152262 /nfs/dbraw/zinc/15/22/62/762152262.db2.gz SDMBTSAVTRIGQE-BNOWGMLFSA-N 1 0 307.350 1.721 20 5 DDBDRO O=C1C=CC(=O)N1CCCCCC[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168968813 762158645 /nfs/dbraw/zinc/15/86/45/762158645.db2.gz ALEFIDPNMUIJFP-UONOGXRCSA-N 1 0 323.393 1.507 20 5 DDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2cc(OC3CCC3)ncn2)C1 ZINC001168997383 762169526 /nfs/dbraw/zinc/16/95/26/762169526.db2.gz YYGXYJVAMDAMQM-RYUDHWBXSA-N 1 0 306.366 1.943 20 5 DDBDRO COC(=O)c1ccc([C@H](CO)[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1 ZINC001169000985 762171997 /nfs/dbraw/zinc/17/19/97/762171997.db2.gz CALSWXYRSDKJQU-DFBGVHRSSA-N 1 0 322.361 1.542 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2C[C@H]3CN(CC4CC4)C[C@@H](C2)O3)C1 ZINC001169023821 762200689 /nfs/dbraw/zinc/20/06/89/762200689.db2.gz FLWKVSDPPWPYRE-FPCVCCKLSA-N 1 0 309.410 1.227 20 5 DDBDRO Cc1cc(N2CC[NH+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)ncn1 ZINC001169054950 762209790 /nfs/dbraw/zinc/20/97/90/762209790.db2.gz OMASTKBHHPMCCO-KBPBESRZSA-N 1 0 305.382 1.352 20 5 DDBDRO COc1cc([N+](=O)[O-])cnc1-n1nnc2ccc(C[NH3+])cc21 ZINC001170017737 763976272 /nfs/dbraw/zinc/97/62/72/763976272.db2.gz HGPQSNJKRURQOW-UHFFFAOYSA-N 1 0 300.278 1.191 20 5 DDBDRO COC(=O)c1cc(N[C@@H](C)[C@@H]2C[NH2+]CCO2)cc([N+](=O)[O-])c1 ZINC001170568807 768181164 /nfs/dbraw/zinc/18/11/64/768181164.db2.gz HMUPSJRCDAZYLG-ZANVPECISA-N 1 0 309.322 1.170 20 5 DDBDRO COc1ccc(C[C@H](C)[NH2+]C[C@@H]2CC(=O)N(C)C2)c([N+](=O)[O-])c1 ZINC001170306438 766231140 /nfs/dbraw/zinc/23/11/40/766231140.db2.gz VDGIMTPRFWKBJP-RYUDHWBXSA-N 1 0 321.377 1.602 20 5 DDBDRO COc1ccc(C[C@@H](C)[N@@H+]2CCC[C@H](C(N)=O)C2)c([N+](=O)[O-])c1 ZINC001170329051 766254858 /nfs/dbraw/zinc/25/48/58/766254858.db2.gz NPTGKPDHZGDQSQ-YPMHNXCESA-N 1 0 321.377 1.732 20 5 DDBDRO C[C@@H]1CN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H](C)[N@H+]1CCO ZINC001170352518 766260411 /nfs/dbraw/zinc/26/04/11/766260411.db2.gz XNDMNPBVMDMQMM-ZENOOKHLSA-N 1 0 323.393 1.015 20 5 DDBDRO O=C(Cc1cncs1)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001129970080 767085423 /nfs/dbraw/zinc/08/54/23/767085423.db2.gz YMGVCQNLDUIQCF-UHFFFAOYSA-N 1 0 320.374 1.500 20 5 DDBDRO [NH3+]CCc1cnn(C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)c1 ZINC001158099822 767732505 /nfs/dbraw/zinc/73/25/05/767732505.db2.gz XUGXWPQFAZKRRS-UHFFFAOYSA-N 1 0 317.683 1.939 20 5 DDBDRO O=C(CCn1ccnc1)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001132079653 768609692 /nfs/dbraw/zinc/60/96/92/768609692.db2.gz GVIBRCQEVOIFAH-UHFFFAOYSA-N 1 0 323.378 1.149 20 5 DDBDRO O=[N+]([O-])c1cc(N[C@H]2C[NH2+]C[C@H]2CO)cc(C(F)(F)F)c1 ZINC001170783324 771270956 /nfs/dbraw/zinc/27/09/56/771270956.db2.gz XNPKXJLCYWTCCY-CPCISQLKSA-N 1 0 305.256 1.606 20 5 DDBDRO CC[N@H+](C)CCC(=O)N[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC001097057349 771610944 /nfs/dbraw/zinc/61/09/44/771610944.db2.gz WKJZZBQHOXBNQM-HAQNSBGRSA-N 1 0 321.381 1.391 20 5 DDBDRO CC(C)[NH+]1CCC(NC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)CC1 ZINC001135652601 771628785 /nfs/dbraw/zinc/62/87/85/771628785.db2.gz HTAQZKODOSKAHH-UHFFFAOYSA-N 1 0 315.761 1.574 20 5 DDBDRO CCOC(=O)CN(CC[NH3+])c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC001170994695 772041351 /nfs/dbraw/zinc/04/13/51/772041351.db2.gz XPOPHPTWEUWAAE-UHFFFAOYSA-N 1 0 309.366 1.848 20 5 DDBDRO COc1cnc(N2c3ccccc3OC[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC001171392866 774366316 /nfs/dbraw/zinc/36/63/16/774366316.db2.gz NCHGACIJZIHUNV-SNVBAGLBSA-N 1 0 316.317 1.856 20 5 DDBDRO C[N@H+](CC(=O)NCCNc1ncccc1[N+](=O)[O-])C1CCC1 ZINC001094221993 775544327 /nfs/dbraw/zinc/54/43/27/775544327.db2.gz ZLKJSOHMSQSIGH-UHFFFAOYSA-N 1 0 307.354 1.002 20 5 DDBDRO CN(CCNC(=O)CCC[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC001100286906 775942180 /nfs/dbraw/zinc/94/21/80/775942180.db2.gz UKBCRWIXLBUMOY-UHFFFAOYSA-N 1 0 308.382 1.489 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CC[NH+](C)CC2)c1F ZINC001173183611 777035420 /nfs/dbraw/zinc/03/54/20/777035420.db2.gz IICHXIHWMREKAX-LLVKDONJSA-N 1 0 311.357 1.921 20 5 DDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@]2(CCNC2=O)C1 ZINC001173221011 777053184 /nfs/dbraw/zinc/05/31/84/777053184.db2.gz FGARWIVFGRAKBR-LRDDRELGSA-N 1 0 303.362 1.738 20 5 DDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCOC[C@H]1C[NH+](C)C ZINC001173232740 777063709 /nfs/dbraw/zinc/06/37/09/777063709.db2.gz HMNCWWJMLWJSSH-CZUORRHYSA-N 1 0 307.394 1.788 20 5 DDBDRO CCC[N@H+](C)CC(=O)N(C)CCNc1ccc([N+](=O)[O-])cn1 ZINC001101704408 777412798 /nfs/dbraw/zinc/41/27/98/777412798.db2.gz GPRSUCCLJOSAFR-UHFFFAOYSA-N 1 0 309.370 1.202 20 5 DDBDRO CN(CCNc1ccc([N+](=O)[O-])cn1)C(=O)C[N@H+](C)C1CCC1 ZINC001102017147 777798012 /nfs/dbraw/zinc/79/80/12/777798012.db2.gz HLWWPTGXELDAJP-UHFFFAOYSA-N 1 0 321.381 1.344 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCC[NH+]1CC=CC1 ZINC001117257807 780697474 /nfs/dbraw/zinc/69/74/74/780697474.db2.gz DTQUSHJXQFWIPT-UHFFFAOYSA-N 1 0 305.334 1.974 20 5 DDBDRO C[NH2+][C@@H](C)CCNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC001118140914 781040827 /nfs/dbraw/zinc/04/08/27/781040827.db2.gz KZLHMWBKKUGALT-JTQLQIEISA-N 1 0 306.366 1.897 20 5 DDBDRO Cc1nocc1C(=O)N(C)CC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001266824436 836888471 /nfs/dbraw/zinc/88/84/71/836888471.db2.gz CTBAYCQPBZOBGC-UHFFFAOYSA-N 1 0 318.333 1.753 20 5 DDBDRO O=C(NC/C=C/C[NH2+]Cc1cccc([N+](=O)[O-])c1)c1cn[nH]c1 ZINC001268514468 840348632 /nfs/dbraw/zinc/34/86/32/840348632.db2.gz MFCLHCFYQZQCRQ-OWOJBTEDSA-N 1 0 315.333 1.394 20 5 DDBDRO CCCN(CCC[NH+](C)C)C(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001154576124 861237511 /nfs/dbraw/zinc/23/75/11/861237511.db2.gz FHQPDVGUUPGZLG-UHFFFAOYSA-N 1 0 317.777 1.775 20 5 DDBDRO [NH3+]Cc1cc(C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)co1 ZINC001326352019 861300093 /nfs/dbraw/zinc/30/00/93/861300093.db2.gz CXJALABFWVUKLB-UHFFFAOYSA-N 1 0 319.321 1.320 20 5 DDBDRO O=C(Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21)N1CC[NH2+]CC1 ZINC001326805832 861622418 /nfs/dbraw/zinc/62/24/18/861622418.db2.gz NZQLSFDALSOIRD-UHFFFAOYSA-N 1 0 323.740 1.030 20 5 DDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](C[NH2+]C)C1 ZINC001326970891 861762223 /nfs/dbraw/zinc/76/22/23/861762223.db2.gz LXZWWMAWIWGKAN-LLVKDONJSA-N 1 0 306.366 1.708 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001155155910 861782864 /nfs/dbraw/zinc/78/28/64/861782864.db2.gz CATUAHBXECVZAN-JGVFFNPUSA-N 1 0 313.745 1.280 20 5 DDBDRO COC(=O)[C@@H]([NH3+])C1CCN(c2nc(C)cc(C)c2[N+](=O)[O-])CC1 ZINC001155160434 861788917 /nfs/dbraw/zinc/78/89/17/861788917.db2.gz UVVRRAIOZFPCJI-LBPRGKRZSA-N 1 0 322.365 1.323 20 5 DDBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC[C@@H](N2CC(C[NH3+])C2)C1 ZINC001155364119 861997811 /nfs/dbraw/zinc/99/78/11/861997811.db2.gz UWSWTLAEOXQKIO-CYBMUJFWSA-N 1 0 305.382 1.158 20 5 DDBDRO Nc1cc([N+](=O)[O-])cnc1NCC[C@@H]1C[NH2+]Cc2cccn2C1 ZINC001155459877 862109731 /nfs/dbraw/zinc/10/97/31/862109731.db2.gz YACTYYNZLCAGEC-LLVKDONJSA-N 1 0 316.365 1.595 20 5 DDBDRO O=[N+]([O-])c1ccc2ccnc(NC[C@]34C[NH2+]C[C@H]3COC4)c2c1 ZINC001155515716 862180218 /nfs/dbraw/zinc/18/02/18/862180218.db2.gz KAGSMKASOQEWPD-LRDDRELGSA-N 1 0 314.345 1.791 20 5 DDBDRO O=[N+]([O-])c1cccc2ncnc(N[C@H]3C[NH2+][C@@H]4CCO[C@@H]43)c21 ZINC001155642956 862330074 /nfs/dbraw/zinc/33/00/74/862330074.db2.gz XXUPOBZAOOLLDX-NRUUGDAUSA-N 1 0 301.306 1.079 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCCNC(=O)/C=C/C(C)(C)C ZINC001155822262 862476467 /nfs/dbraw/zinc/47/64/67/862476467.db2.gz MGWHHGXGCCVKRI-VOTSOKGWSA-N 1 0 323.397 1.527 20 5 DDBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NCC[C@@H]1CSCC[NH2+]1 ZINC001122001888 858657847 /nfs/dbraw/zinc/65/78/47/858657847.db2.gz VKOXTLNYSLCUPT-ACVFHECNSA-N 1 0 321.402 1.819 20 5 DDBDRO [NH3+][C@@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])C[C@H]1C(F)(F)F ZINC001122241230 858723492 /nfs/dbraw/zinc/72/34/92/858723492.db2.gz ZEYZGABLFUMSRM-RKDXNWHRSA-N 1 0 303.240 1.556 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)OC[C@H]1CC[N@@H+]1C(C)(C)C ZINC001123028248 859062602 /nfs/dbraw/zinc/06/26/02/859062602.db2.gz AOJZUVSNBSDBCF-LLVKDONJSA-N 1 0 310.354 1.516 20 5 DDBDRO Cc1ccc(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)n1C ZINC001123492005 859257784 /nfs/dbraw/zinc/25/77/84/859257784.db2.gz QRGVLOUNCAYVQF-UHFFFAOYSA-N 1 0 316.361 1.761 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[C@](O)(C[NH+](C)C)C1 ZINC001123953666 859494405 /nfs/dbraw/zinc/49/44/05/859494405.db2.gz MYYPUGMSIQTCQK-INIZCTEOSA-N 1 0 321.377 1.350 20 5 DDBDRO CC(C)COCCC(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001123981532 859510230 /nfs/dbraw/zinc/51/02/30/859510230.db2.gz VIRHFKGFZOPJLV-UHFFFAOYSA-N 1 0 323.393 1.863 20 5 DDBDRO O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)C1=COCCC1 ZINC001124655738 859770763 /nfs/dbraw/zinc/77/07/63/859770763.db2.gz IBRQGRSASCBZKC-UHFFFAOYSA-N 1 0 311.363 1.556 20 5 DDBDRO CCn1cc(C(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)cn1 ZINC001125010572 859869049 /nfs/dbraw/zinc/86/90/49/859869049.db2.gz GTTSUJXDHZGATM-UHFFFAOYSA-N 1 0 323.378 1.392 20 5 DDBDRO CCOC(=O)CC(CC(=O)OCC)OCCC[N+](C)(C)C ZINC001224622137 881475361 /nfs/dbraw/zinc/47/53/61/881475361.db2.gz FYSIUEOWFOLRKJ-UHFFFAOYSA-N 1 0 304.407 1.374 20 5 DDBDRO CN(C)/C=C/c1cc(-n2ccc(C[NH3+])cc2=N)ncc1[N+](=O)[O-] ZINC001156853802 863398987 /nfs/dbraw/zinc/39/89/87/863398987.db2.gz WXWNBRCARZMMMF-ZMOFNHTQSA-N 1 0 314.349 1.251 20 5 DDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC001329299699 863585463 /nfs/dbraw/zinc/58/54/63/863585463.db2.gz MZFBVFSLMTZHSW-QWRGUYRKSA-N 1 0 306.366 1.754 20 5 DDBDRO Cc1nc(N(c2cnccn2)C2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC001157537280 863898128 /nfs/dbraw/zinc/89/81/28/863898128.db2.gz BADHFVNWSYQHQZ-UHFFFAOYSA-N 1 0 314.349 1.978 20 5 DDBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N(C(C)C)[C@H]2CC[NH2+]C2)n1 ZINC001158035890 864375023 /nfs/dbraw/zinc/37/50/23/864375023.db2.gz ZPAMMHARWOORAU-NSHDSACASA-N 1 0 322.369 1.228 20 5 DDBDRO [NH3+]Cc1nnnn1-c1cc(Cl)nc2ccc([N+](=O)[O-])cc21 ZINC001158080081 864413965 /nfs/dbraw/zinc/41/39/65/864413965.db2.gz FNUCYCRAEWSJND-UHFFFAOYSA-N 1 0 305.685 1.231 20 5 DDBDRO Cc1cncc([N+](=O)[O-])c1NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001330618706 864491062 /nfs/dbraw/zinc/49/10/62/864491062.db2.gz QXLHNPKQSJZRDT-CYBMUJFWSA-N 1 0 306.366 1.385 20 5 DDBDRO [NH3+][C@@H]1CCN(C2CCN(c3ncc(F)cc3[N+](=O)[O-])CC2)C1 ZINC001158259283 864521977 /nfs/dbraw/zinc/52/19/77/864521977.db2.gz PPAUNEGQTALYNC-LLVKDONJSA-N 1 0 309.345 1.131 20 5 DDBDRO Cc1ccnc(N2CCO[C@@H](C[NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC001158304881 864560058 /nfs/dbraw/zinc/56/00/58/864560058.db2.gz OHTDXPFTPXLZQO-ZDUSSCGKSA-N 1 0 306.366 1.599 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[NH2+]CCC12CCC2 ZINC001330950982 864731455 /nfs/dbraw/zinc/73/14/55/864731455.db2.gz MJUMQRWMBLCGGK-UHFFFAOYSA-N 1 0 321.381 1.234 20 5 DDBDRO CO[C@@H]1CN(C(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)C[C@@H]1[NH3+] ZINC001158704463 864830166 /nfs/dbraw/zinc/83/01/66/864830166.db2.gz UKXJYFFENIBPBK-IONNQARKSA-N 1 0 322.699 1.350 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])cc1OCC[N@H+]1CC[C@@H](OC)C1 ZINC001225451269 881840728 /nfs/dbraw/zinc/84/07/28/881840728.db2.gz PZWUPEUHIUMSIH-GFCCVEGCSA-N 1 0 324.333 1.481 20 5 DDBDRO CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2NC)CC[C@H]1[NH3+] ZINC001332211887 865668973 /nfs/dbraw/zinc/66/89/73/865668973.db2.gz UPJPIMWVPQRDRL-ZWNOBZJWSA-N 1 0 306.366 1.836 20 5 DDBDRO CCOc1cc(NC(=O)NCC[NH+]2CC=CC2)ccc1[N+](=O)[O-] ZINC001332424546 865832010 /nfs/dbraw/zinc/83/20/10/865832010.db2.gz HRUNAHAUZWVSKE-UHFFFAOYSA-N 1 0 320.349 1.987 20 5 DDBDRO CCC1([NH3+])CCN(C(=O)c2cc([N+](=O)[O-])ccc2OC)CC1 ZINC001333255262 866565790 /nfs/dbraw/zinc/56/57/90/866565790.db2.gz UOXNISMKGJDHTF-UHFFFAOYSA-N 1 0 307.350 1.947 20 5 DDBDRO N=c1ncc(C[NH3+])cn1-c1ccc2ccc3cccnc3c2n1 ZINC001161414867 866645206 /nfs/dbraw/zinc/64/52/06/866645206.db2.gz ISKZQEMVZOSMHB-UHFFFAOYSA-N 1 0 302.341 1.907 20 5 DDBDRO O=[N+]([O-])c1cc(F)cnc1NC1CCN([C@H]2CC[NH2+]C2)CC1 ZINC001161464608 866685811 /nfs/dbraw/zinc/68/58/11/866685811.db2.gz NGRYMTZFXKTBFT-LBPRGKRZSA-N 1 0 309.345 1.367 20 5 DDBDRO CCOc1cnc(NCCCN2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC001161703979 866912612 /nfs/dbraw/zinc/91/26/12/866912612.db2.gz VHWVBOANPNFQPC-UHFFFAOYSA-N 1 0 323.397 1.438 20 5 DDBDRO COc1c(O)ccc(C[NH2+]CCOCC(F)F)c1[N+](=O)[O-] ZINC001333717202 866960893 /nfs/dbraw/zinc/96/08/93/866960893.db2.gz LFOPHGRMJLVKEI-UHFFFAOYSA-N 1 0 306.265 1.680 20 5 DDBDRO Cc1n[nH]c(C(=O)N2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001333928908 867164733 /nfs/dbraw/zinc/16/47/33/867164733.db2.gz CHOLDMWUMQRXEE-TUAOUCFPSA-N 1 0 321.381 1.429 20 5 DDBDRO C[C@@H]1C[NH2+]CCC[C@@H]1CNc1c[n+]([O-])c(Cl)cc1[N+](=O)[O-] ZINC001162455053 867545304 /nfs/dbraw/zinc/54/53/04/867545304.db2.gz RMPKJUAWYZQDPT-NXEZZACHSA-N 1 0 314.773 1.929 20 5 DDBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N[C@@H]1C=C[C@H]2C[NH2+]C[C@H]21 ZINC001162798943 867831833 /nfs/dbraw/zinc/83/18/33/867831833.db2.gz VWXRWRPRRMSIQJ-ZWKOPEQDSA-N 1 0 318.333 1.352 20 5 DDBDRO COc1cc([N+](=O)[O-])cnc1NCC[C@H]1CCOC12C[NH2+]C2 ZINC001163079594 868063589 /nfs/dbraw/zinc/06/35/89/868063589.db2.gz BZQSTFXKTOADAV-JTQLQIEISA-N 1 0 308.338 1.179 20 5 DDBDRO CN(C)c1ccc(N[C@H]2COCCC23C[NH2+]C3)c([N+](=O)[O-])c1 ZINC001163081405 868066397 /nfs/dbraw/zinc/06/63/97/868066397.db2.gz YKNCLXZMOFJMAI-AWEZNQCLSA-N 1 0 306.366 1.451 20 5 DDBDRO O=[N+]([O-])c1cnc2ccc(NCc3noc4c3C[NH2+]CC4)cn21 ZINC001163132151 868141693 /nfs/dbraw/zinc/14/16/93/868141693.db2.gz VQHCHSDBHLKWOK-UHFFFAOYSA-N 1 0 314.305 1.488 20 5 DDBDRO Cn1cc(N[C@H]2C[NH2+]Cc3ccsc32)cc([N+](=O)[O-])c1=O ZINC001163226587 868231896 /nfs/dbraw/zinc/23/18/96/868231896.db2.gz JOZIOOPTLVVLBE-JTQLQIEISA-N 1 0 306.347 1.611 20 5 DDBDRO [NH3+]C[C@@H](Nc1cc([N+](=O)[O-])cc(Cl)[n+]1[O-])c1ccccc1 ZINC001163297526 868321905 /nfs/dbraw/zinc/32/19/05/868321905.db2.gz CGZBSOVLIVCMBP-LLVKDONJSA-N 1 0 308.725 1.994 20 5 DDBDRO O=[N+]([O-])c1c[nH]c2nc(N[C@@H]3CCO[C@@]4(CC[NH2+]C4)C3)ccc12 ZINC001163305033 868328570 /nfs/dbraw/zinc/32/85/70/868328570.db2.gz KZPUMSNGKVGWIQ-BMIGLBTASA-N 1 0 317.349 1.794 20 5 DDBDRO Cc1nn(CCC(=O)NC[C@H]2CCCC[N@H+]2C)c(C)c1[N+](=O)[O-] ZINC001336205363 868787649 /nfs/dbraw/zinc/78/76/49/868787649.db2.gz XSYYUEMRWMHPDM-CYBMUJFWSA-N 1 0 323.397 1.399 20 5 DDBDRO CCOC(=O)c1cc(-n2nc(C[NH3+])cc2C)ccc1[N+](=O)[O-] ZINC001163985758 868846809 /nfs/dbraw/zinc/84/68/09/868846809.db2.gz AQFKMGKGNJLKAC-UHFFFAOYSA-N 1 0 304.306 1.724 20 5 DDBDRO COCC[NH+](CCOC)C1CN(c2ccc([N+](=O)[O-])cc2)C1 ZINC001336664610 869081555 /nfs/dbraw/zinc/08/15/55/869081555.db2.gz JAXQFQOOIPGDOI-UHFFFAOYSA-N 1 0 309.366 1.378 20 5 DDBDRO CC(C)CCC[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001164494535 869232162 /nfs/dbraw/zinc/23/21/62/869232162.db2.gz LEEZMTDDHNDTTL-ZIAGYGMSSA-N 1 0 311.426 1.964 20 5 DDBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CCC[C@H]2C[NH+](C)C)n1 ZINC001165075326 869364207 /nfs/dbraw/zinc/36/42/07/869364207.db2.gz VSEDJXVLDTVUQE-NSHDSACASA-N 1 0 322.369 1.182 20 5 DDBDRO C[NH+](C)C[C@H]1CCCN1c1c(Cl)[n+]([O-])ccc1[N+](=O)[O-] ZINC001165077469 869364925 /nfs/dbraw/zinc/36/49/25/869364925.db2.gz ONFIOQMPVDAXTR-SECBINFHSA-N 1 0 300.746 1.412 20 5 DDBDRO COCCC[NH+]1CCN(c2cc(Cl)ncc2[N+](=O)[O-])CC1 ZINC001165097960 869374174 /nfs/dbraw/zinc/37/41/74/869374174.db2.gz OYSBYCKJBBHYFZ-UHFFFAOYSA-N 1 0 314.773 1.802 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(N2CC[C@@H]3[NH2+]CCO[C@H]3C2)nc1Cl ZINC001165269563 869480172 /nfs/dbraw/zinc/48/01/72/869480172.db2.gz MPBGKRURNHETGU-ONGXEEELSA-N 1 0 312.757 1.519 20 5 DDBDRO CSc1nc(Cl)nc(N2CC[C@@H]3[NH2+]CC[C@H]32)c1[N+](=O)[O-] ZINC001165299577 869505959 /nfs/dbraw/zinc/50/59/59/869505959.db2.gz NNEMJVGDDQKLMU-NKWVEPMBSA-N 1 0 315.786 1.701 20 5 DDBDRO Nc1nc(N2CCCC[C@@H]2C2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC001165325423 869518707 /nfs/dbraw/zinc/51/87/07/869518707.db2.gz ZOKWUJVWHZYCIE-GFCCVEGCSA-N 1 0 305.382 1.931 20 5 DDBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N2CCC[C@H]3[NH2+]C[C@@H]32)n1 ZINC001165386942 869560677 /nfs/dbraw/zinc/56/06/77/869560677.db2.gz GGTWWVPACWVZAV-RQJHMYQMSA-N 1 0 315.786 1.701 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(N[C@@H](C)[C@H]2C[N@H+](C)CCN2C)c1 ZINC001337678393 869592374 /nfs/dbraw/zinc/59/23/74/869592374.db2.gz HTXRCCITBIOMGR-XHDPSFHLSA-N 1 0 308.382 1.650 20 5 DDBDRO [NH3+]C1([C@H]2CN(c3ccc4[nH]cc([N+](=O)[O-])c4n3)C[C@H]2CF)CC1 ZINC001165431630 869594912 /nfs/dbraw/zinc/59/49/12/869594912.db2.gz FZCSFOOWIBIYNH-ZJUUUORDSA-N 1 0 319.340 1.984 20 5 DDBDRO C[C@H](c1nnc(N2CCC[N@@H+](C3CCCC3)CC2)n1C)[N+](=O)[O-] ZINC001338210355 869869443 /nfs/dbraw/zinc/86/94/43/869869443.db2.gz PJHANNWYLZYMKH-GFCCVEGCSA-N 1 0 322.413 1.608 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ncnc2cc(F)ccc21 ZINC001226387959 882401104 /nfs/dbraw/zinc/40/11/04/882401104.db2.gz KAAWAYONIJYMFC-LLVKDONJSA-N 1 0 308.333 1.132 20 5 DDBDRO COC(=O)C1(Nc2ccc3c([N+](=O)[O-])c[nH]c3n2)CC[NH2+]CC1 ZINC001166922862 870380222 /nfs/dbraw/zinc/38/02/22/870380222.db2.gz JXQMIWPAULLCIU-UHFFFAOYSA-N 1 0 319.321 1.178 20 5 DDBDRO C[C@@H]([NH3+])CONC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC001340456564 871123143 /nfs/dbraw/zinc/12/31/43/871123143.db2.gz MGUXQDXWJLPVEU-LLVKDONJSA-N 1 0 322.365 1.594 20 5 DDBDRO CCn1c(CCC[N+](=O)[O-])nnc1N1CC[NH+](C(C)C)CC1 ZINC001340764812 871337120 /nfs/dbraw/zinc/33/71/20/871337120.db2.gz WIIHPYWJKYCZFZ-UHFFFAOYSA-N 1 0 310.402 1.038 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CC[C@@H](c3ncccn3)C2)cc1 ZINC001308111072 871471013 /nfs/dbraw/zinc/47/10/13/871471013.db2.gz BMDWUSCEEIVSQE-HIFRSBDPSA-N 1 0 314.345 1.908 20 5 DDBDRO COc1ccc(CC(=O)N2CC[C@H](CC[NH3+])C2)cc1[N+](=O)[O-] ZINC001341125004 871514473 /nfs/dbraw/zinc/51/44/73/871514473.db2.gz WBZRFZODCFYVAO-NSHDSACASA-N 1 0 307.350 1.343 20 5 DDBDRO O=C(c1c(F)cccc1[N+](=O)[O-])N1CCC2(CC1)C[NH2+]CCO2 ZINC001341206213 871557399 /nfs/dbraw/zinc/55/73/99/871557399.db2.gz MISORRKKWGTSEB-UHFFFAOYSA-N 1 0 323.324 1.329 20 5 DDBDRO COCCOC[C@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001205550856 871622445 /nfs/dbraw/zinc/62/24/45/871622445.db2.gz DDRSGVWFHHDOLV-JTQLQIEISA-N 1 0 308.338 1.612 20 5 DDBDRO CC[N@@H+]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C1 ZINC001318153625 871784641 /nfs/dbraw/zinc/78/46/41/871784641.db2.gz JYWCYJMYODYQNW-SNVBAGLBSA-N 1 0 308.338 1.157 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCC[C@@H]1[NH+](C)C ZINC001318385890 871976406 /nfs/dbraw/zinc/97/64/06/871976406.db2.gz OSTGCFHGTKKKTL-KGLIPLIRSA-N 1 0 306.366 1.901 20 5 DDBDRO [NH3+][C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)CC[C@@H]1C(F)(F)F ZINC001342564712 872265680 /nfs/dbraw/zinc/26/56/80/872265680.db2.gz HRAVUCXQEGCCKW-QWRGUYRKSA-N 1 0 317.267 1.947 20 5 DDBDRO C[C@@H](NC(=O)C[NH2+]C[C@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC001344789324 873117267 /nfs/dbraw/zinc/11/72/67/873117267.db2.gz GUZIYXNBJRHGFA-BXUZGUMPSA-N 1 0 307.350 1.541 20 5 DDBDRO C[NH2+][C@@H](CNC(=O)c1cc([N+](=O)[O-])cn1C)Cc1ccccc1 ZINC001344833868 873139989 /nfs/dbraw/zinc/13/99/89/873139989.db2.gz WFVATVMHXAGZFD-CYBMUJFWSA-N 1 0 316.361 1.494 20 5 DDBDRO CN1CC[C@H](C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1=O ZINC001346136372 873620072 /nfs/dbraw/zinc/62/00/72/873620072.db2.gz JZWKZQDLVJTSJK-SMDDNHRTSA-N 1 0 307.350 1.086 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](C)C[C@H]23)c1 ZINC001349696118 875310751 /nfs/dbraw/zinc/31/07/51/875310751.db2.gz ZFCMKJFTIVKZTG-DDTOSNHZSA-N 1 0 319.361 1.673 20 5 DDBDRO Cn1cc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)n1 ZINC001349839446 875403543 /nfs/dbraw/zinc/40/35/43/875403543.db2.gz DMJMXOXAAIXJFT-QJPTWQEYSA-N 1 0 321.381 1.131 20 5 DDBDRO C[C@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC[N@@H+]1C1CCCC1 ZINC001352968661 877044981 /nfs/dbraw/zinc/04/49/81/877044981.db2.gz HFRPTWUTKJDQIE-LBPRGKRZSA-N 1 0 321.381 1.267 20 5 DDBDRO CCN1C[C@H](C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1=O ZINC001353297409 877235397 /nfs/dbraw/zinc/23/53/97/877235397.db2.gz FVKKAKMZFBBMKF-SMDDNHRTSA-N 1 0 307.350 1.086 20 5 DDBDRO CC[NH+]1CCN(C2CN(c3ccc(C)cc3[N+](=O)[O-])C2)CC1 ZINC001354278839 877852412 /nfs/dbraw/zinc/85/24/12/877852412.db2.gz XRKVHNLEEZBUTC-UHFFFAOYSA-N 1 0 304.394 1.729 20 5 DDBDRO C[NH2+]C[C@@H](O)[C@@H](C)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001357484434 879996053 /nfs/dbraw/zinc/99/60/53/879996053.db2.gz FQCZXEXAAUPHFW-IAQYHMDHSA-N 1 0 321.377 1.302 20 5 DDBDRO COCC(=O)NCC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001222173057 880302974 /nfs/dbraw/zinc/30/29/74/880302974.db2.gz FPMWYQHRLXGTGH-UHFFFAOYSA-N 1 0 321.377 1.569 20 5 DDBDRO C[NH2+][C@H](CNC(=O)c1ccc([N+](=O)[O-])o1)Cc1ccccc1 ZINC001358170139 880355487 /nfs/dbraw/zinc/35/54/87/880355487.db2.gz NPPPHWOPKQGDFN-LBPRGKRZSA-N 1 0 303.318 1.748 20 5 DDBDRO Cc1cccn2cc(COC(=O)C[C@@H](O)C[N+](C)(C)C)nc12 ZINC001223359170 880931545 /nfs/dbraw/zinc/93/15/45/880931545.db2.gz QLRZJFDIQPDTSM-CQSZACIVSA-N 1 0 306.386 1.143 20 5 DDBDRO Cc1csc2nccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)c12 ZINC001230655196 884707669 /nfs/dbraw/zinc/70/76/69/884707669.db2.gz WERWGQOHZFINIB-LLVKDONJSA-N 1 0 309.411 1.967 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc2ncccc2c1F ZINC001230668481 884722252 /nfs/dbraw/zinc/72/22/52/884722252.db2.gz CXRAEPSHBONIOV-LLVKDONJSA-N 1 0 307.345 1.737 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cccc(Cl)c1[N+](=O)[O-] ZINC001230918846 885047639 /nfs/dbraw/zinc/04/76/39/885047639.db2.gz QRYISIKYEANGEJ-SECBINFHSA-N 1 0 317.749 1.611 20 5 DDBDRO COC(=O)c1cnc(O[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)c([N+](=O)[O-])c1 ZINC001233859990 887398245 /nfs/dbraw/zinc/39/82/45/887398245.db2.gz SWLJUEQDXJMDCI-ZSBIGDGJSA-N 1 0 321.333 1.780 20 5 DDBDRO COC(=O)c1ccc2ncnc(O[C@H](C)C[N+](C)(C)C)c2c1 ZINC001233898951 887441957 /nfs/dbraw/zinc/44/19/57/887441957.db2.gz AAVJOABUKHXOSK-LLVKDONJSA-N 1 0 304.370 1.890 20 5 DDBDRO C[C@H](C[NH+](C)C)Oc1cc(N2CCOCC2)ccc1[N+](=O)[O-] ZINC001234359055 887903970 /nfs/dbraw/zinc/90/39/70/887903970.db2.gz CFYUHNVLOHIVKE-GFCCVEGCSA-N 1 0 309.366 1.760 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CC(C)(C[NH3+])C2)c1F ZINC001246586581 892714664 /nfs/dbraw/zinc/71/46/64/892714664.db2.gz BZJMLXAPEJEYPJ-SNVBAGLBSA-N 1 0 311.357 1.954 20 5 DDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCNC[C@]12CC[NH2+]C2 ZINC001246631629 892753577 /nfs/dbraw/zinc/75/35/77/892753577.db2.gz RTGQVJFLFUBEHC-XJKSGUPXSA-N 1 0 304.394 1.163 20 5 DDBDRO COc1ccc(C[C@@H](C)N2CC[C@H]3[NH2+]CC[C@H]32)c([N+](=O)[O-])c1 ZINC001246637861 892759060 /nfs/dbraw/zinc/75/90/60/892759060.db2.gz LITTZHVDVQHUPI-KCPJHIHWSA-N 1 0 305.378 1.971 20 5 DDBDRO O=C1NC[C@@H](C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)O1 ZINC001254472694 896456252 /nfs/dbraw/zinc/45/62/52/896456252.db2.gz KFUBSFXJRGXVQD-CQSZACIVSA-N 1 0 320.349 1.262 20 5 DDBDRO CCOC(=O)[C@H]1C[C@@H]([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254580152 896512741 /nfs/dbraw/zinc/51/27/41/896512741.db2.gz ZHAQRKTVPARSQZ-MCIONIFRSA-N 1 0 304.346 1.993 20 5 DDBDRO CCN(CC)C(=O)[C@@H](C)[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254581436 896513762 /nfs/dbraw/zinc/51/37/62/896513762.db2.gz KHDRLJQSWUALOZ-BXUZGUMPSA-N 1 0 305.378 1.909 20 5 DDBDRO COC(=O)N1CCC[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254592156 896520308 /nfs/dbraw/zinc/52/03/08/896520308.db2.gz BUZGIAVKUPGXJF-HNNXBMFYSA-N 1 0 319.361 1.836 20 5 DDBDRO CC(=O)N(C)[C@H]1CC[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254611676 896533672 /nfs/dbraw/zinc/53/36/72/896533672.db2.gz QZEULWTXESPNMS-HOTGVXAUSA-N 1 0 303.362 1.615 20 5 DDBDRO Cc1nn(C)c(N2CCCN(c3cc[nH+]cc3)CC2)c1[N+](=O)[O-] ZINC001262372285 900137287 /nfs/dbraw/zinc/13/72/87/900137287.db2.gz NOWUFLFKYZHRDN-UHFFFAOYSA-N 1 0 316.365 1.748 20 5 DDBDRO C[C@@H](NC(=O)NC[C@@H]1C[NH2+]C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC001262563846 900249049 /nfs/dbraw/zinc/24/90/49/900249049.db2.gz QFNMDJZOFBKCMB-WZRBSPASSA-N 1 0 306.366 1.811 20 5 DDBDRO CSC[C@@](C)(O)C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001262567373 900250641 /nfs/dbraw/zinc/25/06/41/900250641.db2.gz QNOMJDMKQKPRPR-OLZOCXBDSA-N 1 0 300.380 1.332 20 5 DDBDRO C[C@H](CNC(=O)N[C@H]1CCC[NH2+]C1)c1ccccc1[N+](=O)[O-] ZINC001262585050 900262792 /nfs/dbraw/zinc/26/27/92/900262792.db2.gz RQWRKDQWVROFEQ-NEPJUHHUSA-N 1 0 306.366 1.750 20 5 DDBDRO O=C([C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC001263108547 900502408 /nfs/dbraw/zinc/50/24/08/900502408.db2.gz APWRISDKAWYQRN-XZDPQHSOSA-N 1 0 315.373 1.909 20 5 DDBDRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001263130089 900507354 /nfs/dbraw/zinc/50/73/54/900507354.db2.gz JXPOBDAODKKADX-HPEDKQMDSA-N 1 0 303.362 1.955 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCCC3(CCCC3)C2)c1 ZINC000615000825 362112515 /nfs/dbraw/zinc/11/25/15/362112515.db2.gz WSMOYIYALHKBGK-AWEZNQCLSA-N 1 0 308.382 1.808 20 5 DDBDRO C[C@](CO)([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)C1CCCCC1 ZINC000090550297 185302449 /nfs/dbraw/zinc/30/24/49/185302449.db2.gz DSABKZWXFHMMJS-MRXNPFEDSA-N 1 0 323.393 1.677 20 5 DDBDRO O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000563704838 303971803 /nfs/dbraw/zinc/97/18/03/303971803.db2.gz CBYTYAXNRVQGMC-QWRGUYRKSA-N 1 0 320.349 1.157 20 5 DDBDRO Cn1cc(C[N@@H+]2CC[C@@H](CO)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000092763121 185338674 /nfs/dbraw/zinc/33/86/74/185338674.db2.gz URAFSQWVMZKADY-GFCCVEGCSA-N 1 0 316.361 1.810 20 5 DDBDRO CC[N@@H+]1CCC[C@H](NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000181606753 199326231 /nfs/dbraw/zinc/32/62/31/199326231.db2.gz JPYXOAIKOIKUMK-NSHDSACASA-N 1 0 321.333 1.538 20 5 DDBDRO CC[NH+](CC)[C@@H](C)CNC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000269502471 282312569 /nfs/dbraw/zinc/31/25/69/282312569.db2.gz ZGGVFHKISNROLV-JTQLQIEISA-N 1 0 311.386 1.901 20 5 DDBDRO C[NH2+]C[C@H]1CCN(S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])C1 ZINC000071144987 290732245 /nfs/dbraw/zinc/73/22/45/290732245.db2.gz WYVDJOXAXNIBGS-LLVKDONJSA-N 1 0 313.379 1.133 20 5 DDBDRO C[NH+](C)[C@H](CNC(=O)Cn1ccc([N+](=O)[O-])n1)C1CCCCC1 ZINC000068117483 190749187 /nfs/dbraw/zinc/74/91/87/190749187.db2.gz XVDOTGMSJDPROF-CYBMUJFWSA-N 1 0 323.397 1.418 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC1(C[NH+](C)C)CCC1 ZINC000341941700 282516216 /nfs/dbraw/zinc/51/62/16/282516216.db2.gz FKFJIJFKGHHTNF-UHFFFAOYSA-N 1 0 307.350 1.818 20 5 DDBDRO CCc1n[nH]c(C(=O)NCC[N@H+]2CC=C(C)CC2)c1[N+](=O)[O-] ZINC000358468991 299163675 /nfs/dbraw/zinc/16/36/75/299163675.db2.gz RLCCIDXTKOWTHI-UHFFFAOYSA-N 1 0 307.354 1.262 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCc2ccsc2C1 ZINC000152668389 186096020 /nfs/dbraw/zinc/09/60/20/186096020.db2.gz IDRUQDJJVDDSKW-UHFFFAOYSA-N 1 0 305.359 1.876 20 5 DDBDRO C[C@H]1[NH2+]CCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000262879582 186318019 /nfs/dbraw/zinc/31/80/19/186318019.db2.gz VTGJMIGOQKKTDW-VXGBXAGGSA-N 1 0 306.366 1.240 20 5 DDBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@H](O)CO)s2)cc1 ZINC000276804823 186468781 /nfs/dbraw/zinc/46/87/81/186468781.db2.gz TWXLBRCMUISOKA-LBPRGKRZSA-N 1 0 308.359 1.766 20 5 DDBDRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000047142666 352483084 /nfs/dbraw/zinc/48/30/84/352483084.db2.gz AXLSJEJYDGTUKW-LLVKDONJSA-N 1 0 306.366 1.781 20 5 DDBDRO C[NH+](C)[C@H]1CCCN(C(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000068340851 353105210 /nfs/dbraw/zinc/10/52/10/353105210.db2.gz WZDOCGCBMSPXBI-ZDUSSCGKSA-N 1 0 307.350 1.526 20 5 DDBDRO CC(C)[N@@H+]1CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000068777881 353129520 /nfs/dbraw/zinc/12/95/20/353129520.db2.gz UNWPCMBVAPISJX-UHFFFAOYSA-N 1 0 324.356 1.872 20 5 DDBDRO O=C(/C=C\c1cccc([N+](=O)[O-])c1)NCC[N@@H+]1CCCOCC1 ZINC000491994304 234354038 /nfs/dbraw/zinc/35/40/38/234354038.db2.gz BCDHGFFUVAKRQM-WAYWQWQTSA-N 1 0 319.361 1.447 20 5 DDBDRO CCC[NH+]1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000078418609 353515874 /nfs/dbraw/zinc/51/58/74/353515874.db2.gz UXHZVEKCZPMHEV-UHFFFAOYSA-N 1 0 307.350 1.528 20 5 DDBDRO O=C([C@H]1CC1[N+](=O)[O-])N1CCc2c1cccc2C[NH+]1CCCC1 ZINC000081422805 353672339 /nfs/dbraw/zinc/67/23/39/353672339.db2.gz JDSQCKOQJHUTRK-GOEBONIOSA-N 1 0 315.373 1.837 20 5 DDBDRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNc1ccc([N+](=O)[O-])cc1 ZINC000091478033 353827058 /nfs/dbraw/zinc/82/70/58/353827058.db2.gz SNFNRHJRHUAAFN-HNNXBMFYSA-N 1 0 320.393 1.949 20 5 DDBDRO NC(=O)[C@H]1CCC[N@H+](CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000091478067 353827299 /nfs/dbraw/zinc/82/72/99/353827299.db2.gz JZSQLOUPZIDGAW-LBPRGKRZSA-N 1 0 306.366 1.594 20 5 DDBDRO CC[C@@H]([NH3+])C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000130039011 354088256 /nfs/dbraw/zinc/08/82/56/354088256.db2.gz KJKHUIIIXYAYII-CQSZACIVSA-N 1 0 307.350 1.702 20 5 DDBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCN(C2CC2)CC1 ZINC000126045079 354049877 /nfs/dbraw/zinc/04/98/77/354049877.db2.gz JJJKVGCRRFHSLG-LBPRGKRZSA-N 1 0 318.377 1.702 20 5 DDBDRO COC(=O)[C@@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000280817252 354424696 /nfs/dbraw/zinc/42/46/96/354424696.db2.gz UMEPZFKADDIRGS-BXUZGUMPSA-N 1 0 308.334 1.715 20 5 DDBDRO Cc1c(NC(=O)CC[N@@H+](C)C[C@@H](O)C2CC2)cccc1[N+](=O)[O-] ZINC000305211102 354469391 /nfs/dbraw/zinc/46/93/91/354469391.db2.gz HALFEQVNWVPLRY-OAHLLOKOSA-N 1 0 321.377 1.935 20 5 DDBDRO COc1cc(C(=O)N[C@@H]2CC[NH2+]C2(C)C)c([N+](=O)[O-])cc1OC ZINC000307896019 354472387 /nfs/dbraw/zinc/47/23/87/354472387.db2.gz LCDRZSLSLMLXER-CYBMUJFWSA-N 1 0 323.349 1.482 20 5 DDBDRO C[C@@H]([NH2+][C@H]1CCN(S(C)(=O)=O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000400200780 354660165 /nfs/dbraw/zinc/66/01/65/354660165.db2.gz FJBFLTGDZJYTBW-PWSUYJOCSA-N 1 0 313.379 1.279 20 5 DDBDRO O=[N+]([O-])c1ccc(CCn2cc(C3CC[NH2+]CC3)nn2)cc1 ZINC000404689838 354676573 /nfs/dbraw/zinc/67/65/73/354676573.db2.gz OVJDPMJVUGMSQD-UHFFFAOYSA-N 1 0 301.350 1.896 20 5 DDBDRO COc1ccc(Cn2cc([C@H]3CCC[NH2+]C3)nn2)cc1[N+](=O)[O-] ZINC000404747627 354676608 /nfs/dbraw/zinc/67/66/08/354676608.db2.gz AHPLFZDYQALHCH-LBPRGKRZSA-N 1 0 317.349 1.710 20 5 DDBDRO C[C@H](CNc1cc(N)c([N+](=O)[O-])c(CO)c1)C[NH+]1CCOCC1 ZINC000587982593 354888960 /nfs/dbraw/zinc/88/89/60/354888960.db2.gz ZRBVLVYJNUYHSZ-LLVKDONJSA-N 1 0 324.381 1.050 20 5 DDBDRO CCn1c(C)nc([N+](=O)[O-])c1NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000588823517 354939305 /nfs/dbraw/zinc/93/93/05/354939305.db2.gz AUKXCDHSCQMBAN-CYBMUJFWSA-N 1 0 323.397 1.785 20 5 DDBDRO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000589574578 355002090 /nfs/dbraw/zinc/00/20/90/355002090.db2.gz BNBTUNTVSHIXCL-QWRGUYRKSA-N 1 0 319.365 1.152 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)C[C@@H]2CCOC2)c1 ZINC000589502770 354996953 /nfs/dbraw/zinc/99/69/53/354996953.db2.gz JLAOVMRCWFRITN-NSHDSACASA-N 1 0 308.334 1.850 20 5 DDBDRO C[N@@H+]1C[C@H]2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3Cl)[C@@H]2C1 ZINC000590446508 355099651 /nfs/dbraw/zinc/09/96/51/355099651.db2.gz WBWYIZYCOOEZEF-BXUZGUMPSA-N 1 0 323.780 1.953 20 5 DDBDRO C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000591029800 355235777 /nfs/dbraw/zinc/23/57/77/355235777.db2.gz JORUKIFOWLYBEK-AEGPPILISA-N 1 0 303.362 1.909 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000332614382 235199301 /nfs/dbraw/zinc/19/93/01/235199301.db2.gz GQMCMWUJLJLGAZ-VXGBXAGGSA-N 1 0 304.350 1.976 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1N1CCN([C@@H]3CC[NH2+]C3)CC1)CCN2 ZINC000591440968 355311990 /nfs/dbraw/zinc/31/19/90/355311990.db2.gz XGFJXMKITALYJP-GFCCVEGCSA-N 1 0 317.393 1.047 20 5 DDBDRO COC1CC[NH+](CCNc2c(C(N)=O)cccc2[N+](=O)[O-])CC1 ZINC000591460415 355316522 /nfs/dbraw/zinc/31/65/22/355316522.db2.gz SVCYCSDMGBIOHW-UHFFFAOYSA-N 1 0 322.365 1.216 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]Cc2ccc(F)cn2)c1 ZINC000591754419 355377778 /nfs/dbraw/zinc/37/77/78/355377778.db2.gz JUPXJJBFVWFVQG-CQSZACIVSA-N 1 0 321.308 1.658 20 5 DDBDRO O=C([C@@H]1C[NH2+]CCC1(F)F)N1CCc2c1cccc2[N+](=O)[O-] ZINC000591667805 355357760 /nfs/dbraw/zinc/35/77/60/355357760.db2.gz ANQGPJXNBMWJHB-JTQLQIEISA-N 1 0 311.288 1.729 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N(C1CC1)C1CC[NH2+]CC1 ZINC000591680773 355361047 /nfs/dbraw/zinc/36/10/47/355361047.db2.gz GXSXYUUNTHHEOF-UHFFFAOYSA-N 1 0 319.361 1.960 20 5 DDBDRO COc1ccc(CC(=O)N[C@H]2CC[NH2+]C[C@@H]2C)cc1[N+](=O)[O-] ZINC000592332285 355561230 /nfs/dbraw/zinc/56/12/30/355561230.db2.gz UXDCJCMKAWIXJZ-JQWIXIFHSA-N 1 0 307.350 1.260 20 5 DDBDRO CC1([NH3+])CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000592331738 355561306 /nfs/dbraw/zinc/56/13/06/355561306.db2.gz YOCAYVYMFCZDSL-UHFFFAOYSA-N 1 0 306.366 1.737 20 5 DDBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000592334598 355561657 /nfs/dbraw/zinc/56/16/57/355561657.db2.gz BPISUKBKVFILIT-STQMWFEESA-N 1 0 309.341 1.604 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000592307851 355556056 /nfs/dbraw/zinc/55/60/56/355556056.db2.gz JSCWELPEDVQIGQ-BXUZGUMPSA-N 1 0 307.350 1.400 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@H]2CC[C@@H](CO)CC2)c1 ZINC000592430930 355581184 /nfs/dbraw/zinc/58/11/84/355581184.db2.gz QVPLZAYQNOOUTO-VNHYZAJKSA-N 1 0 324.377 1.475 20 5 DDBDRO CC(C)[C@@H]1[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC12CC=CC2 ZINC000592446776 355586842 /nfs/dbraw/zinc/58/68/42/355586842.db2.gz XCNPQBAADKEHJK-CABCVRRESA-N 1 0 320.393 1.829 20 5 DDBDRO COc1ccc(NC(=O)[C@H](C)N(C)CCC[NH3+])c([N+](=O)[O-])c1 ZINC000592473839 355592577 /nfs/dbraw/zinc/59/25/77/355592577.db2.gz QKDLLDUOOQWQDM-JTQLQIEISA-N 1 0 310.354 1.211 20 5 DDBDRO CC[C@@H]1CN([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000592489414 355598375 /nfs/dbraw/zinc/59/83/75/355598375.db2.gz VDPGKZJUSSPGBV-JHJVBQTASA-N 1 0 320.393 1.981 20 5 DDBDRO O=c1oc(-c2ccccc2[N+](=O)[O-])nn1CCC[NH+]1CCCC1 ZINC000592348411 355563661 /nfs/dbraw/zinc/56/36/61/355563661.db2.gz QDUBUTPWPNWQIG-UHFFFAOYSA-N 1 0 318.333 1.897 20 5 DDBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@H](CO)[C@@H]1CCOC1 ZINC000280326220 215544293 /nfs/dbraw/zinc/54/42/93/215544293.db2.gz PWLVSDZUFARKHE-UJOCRUBTSA-N 1 0 306.362 1.843 20 5 DDBDRO C[C@@H]1C[C@H](C[NH3+])CN1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000592428713 355580226 /nfs/dbraw/zinc/58/02/26/355580226.db2.gz PVQMLCOXXJCMIP-GHMZBOCLSA-N 1 0 307.350 1.535 20 5 DDBDRO C[C@@H]([NH3+])[C@H]1CCCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000592427567 355580672 /nfs/dbraw/zinc/58/06/72/355580672.db2.gz CGVIWRPZCDFZAN-NEPJUHHUSA-N 1 0 321.377 1.925 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+]C2(CO)CCOCC2)c1 ZINC000593011294 355769141 /nfs/dbraw/zinc/76/91/41/355769141.db2.gz OFUODJNDZVAZDF-UHFFFAOYSA-N 1 0 324.333 1.013 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1[C@H](C)C[N@H+](C)[C@@H](C)[C@H]1C ZINC000593188884 355820806 /nfs/dbraw/zinc/82/08/06/355820806.db2.gz RPHPUJJZCQSUDQ-OUAUKWLOSA-N 1 0 309.370 1.039 20 5 DDBDRO O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CC[NH+](CC2CC2)CC1 ZINC000593415736 355879019 /nfs/dbraw/zinc/87/90/19/355879019.db2.gz VAPBAIRCKUDZSH-UHFFFAOYSA-N 1 0 321.352 1.831 20 5 DDBDRO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)NCc1cccc([N+](=O)[O-])c1)C2 ZINC000593704818 355972172 /nfs/dbraw/zinc/97/21/72/355972172.db2.gz VPKPEQDWQXXJQV-BBRMVZONSA-N 1 0 318.377 1.865 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)N(C)CC[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000593882411 356040164 /nfs/dbraw/zinc/04/01/64/356040164.db2.gz GELJCJRSIFLGJQ-UHFFFAOYSA-N 1 0 323.397 1.999 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000593914624 356057490 /nfs/dbraw/zinc/05/74/90/356057490.db2.gz LZXICPHYHIBQHG-ZBEGNZNMSA-N 1 0 319.361 1.804 20 5 DDBDRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000594103104 356113805 /nfs/dbraw/zinc/11/38/05/356113805.db2.gz VVJVVWIIDWXNNZ-JGZJWPJOSA-N 1 0 321.333 1.394 20 5 DDBDRO Cc1c(CNC(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)cccc1[N+](=O)[O-] ZINC000594446303 356219193 /nfs/dbraw/zinc/21/91/93/356219193.db2.gz PKUQVFDNTIAAGE-XJKSGUPXSA-N 1 0 303.362 1.909 20 5 DDBDRO [NH3+][C@H](c1cn(-c2ccc(O)cc2[N+](=O)[O-])nn1)[C@H]1CCCO1 ZINC000594651970 356275776 /nfs/dbraw/zinc/27/57/76/356275776.db2.gz GYXWVKJXKJFJKB-CHWSQXEVSA-N 1 0 305.294 1.060 20 5 DDBDRO CCOCCOC[C@H](O)C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594498959 356238684 /nfs/dbraw/zinc/23/86/84/356238684.db2.gz DTJZAGIXBZQDJM-IUODEOHRSA-N 1 0 324.377 1.586 20 5 DDBDRO COc1cc(C[NH2+]CCO[C@H]2CC2(F)F)c([N+](=O)[O-])cc1O ZINC000594970075 356365622 /nfs/dbraw/zinc/36/56/22/356365622.db2.gz CJQXXMOKKOCQFX-LBPRGKRZSA-N 1 0 318.276 1.823 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@]1(C)CCC(=O)N1 ZINC000595053469 356376877 /nfs/dbraw/zinc/37/68/77/356376877.db2.gz VLUPIYDSIXKWSJ-BMIGLBTASA-N 1 0 307.350 1.923 20 5 DDBDRO C[C@@H]1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C[C@@H]1[NH3+] ZINC000595228468 356411987 /nfs/dbraw/zinc/41/19/87/356411987.db2.gz ALTCRRIHZWXMTP-SCZZXKLOSA-N 1 0 307.306 1.133 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000595233553 356413737 /nfs/dbraw/zinc/41/37/37/356413737.db2.gz QEFQDBINJIZWBO-NXEZZACHSA-N 1 0 312.301 1.506 20 5 DDBDRO CCCc1n[nH]c(C(=O)N2CCC(C[NH2+]CC)CC2)c1[N+](=O)[O-] ZINC000236883827 202052138 /nfs/dbraw/zinc/05/21/38/202052138.db2.gz UFDYSXYRKVSMNI-UHFFFAOYSA-N 1 0 323.397 1.732 20 5 DDBDRO CCOc1cc(C(=O)NC[C@H]([NH3+])C2CC2)c([N+](=O)[O-])cc1OC ZINC000236892922 202056924 /nfs/dbraw/zinc/05/69/24/202056924.db2.gz CKZLDXXHGQNTLU-NSHDSACASA-N 1 0 323.349 1.469 20 5 DDBDRO C[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@H](C)[C@H]1O ZINC000595747688 356633318 /nfs/dbraw/zinc/63/33/18/356633318.db2.gz CCBQRMISJONFKC-HBYGRHMLSA-N 1 0 322.361 1.910 20 5 DDBDRO C[NH2+]CCCN(C)S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F ZINC000601342404 358507524 /nfs/dbraw/zinc/50/75/24/358507524.db2.gz WWSXPPBBGQYMAX-UHFFFAOYSA-N 1 0 319.358 1.272 20 5 DDBDRO C[C@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@]1(C)CO ZINC000595876234 356688231 /nfs/dbraw/zinc/68/82/31/356688231.db2.gz RCSWIXFKNAAHQK-BLLLJJGKSA-N 1 0 321.377 1.874 20 5 DDBDRO COC(=O)c1cc(C(=O)N(C)CC(C)(C)[NH3+])cc([N+](=O)[O-])c1 ZINC000595949154 356718950 /nfs/dbraw/zinc/71/89/50/356718950.db2.gz YDSWIYZEUUKRRV-UHFFFAOYSA-N 1 0 309.322 1.191 20 5 DDBDRO O=C(Cn1ccc([N+](=O)[O-])n1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595960470 356724326 /nfs/dbraw/zinc/72/43/26/356724326.db2.gz FZHJOOYRTWEJDC-ZDUSSCGKSA-N 1 0 321.381 1.030 20 5 DDBDRO [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000595938557 356713654 /nfs/dbraw/zinc/71/36/54/356713654.db2.gz YQMPHEUEPUICOK-GJZGRUSLSA-N 1 0 321.377 1.398 20 5 DDBDRO CC1(C)OCC[C@H]1C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000596067288 356760082 /nfs/dbraw/zinc/76/00/82/356760082.db2.gz WNCPXYWQYZZYSZ-STQMWFEESA-N 1 0 324.377 1.739 20 5 DDBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596230647 356825401 /nfs/dbraw/zinc/82/54/01/356825401.db2.gz BOFPULDAMFBQOU-FZMZJTMJSA-N 1 0 318.377 1.757 20 5 DDBDRO Cc1nc(N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)ccc1[N+](=O)[O-] ZINC000596537431 356910271 /nfs/dbraw/zinc/91/02/71/356910271.db2.gz FXKOJHRVURLXDY-CYBMUJFWSA-N 1 0 306.366 1.334 20 5 DDBDRO COc1cc(OCC(=O)N2CCCC[C@@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000237225071 202195238 /nfs/dbraw/zinc/19/52/38/202195238.db2.gz CETFVLJRTLPSNI-LLVKDONJSA-N 1 0 323.349 1.322 20 5 DDBDRO COC(=O)COc1ccc(C[NH2+]C2([C@H](C)O)CC2)cc1[N+](=O)[O-] ZINC000597234714 357104033 /nfs/dbraw/zinc/10/40/33/357104033.db2.gz PDDCDTVELQKDBD-JTQLQIEISA-N 1 0 324.333 1.150 20 5 DDBDRO CCN(C(=O)COc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@H+](C)C1 ZINC000597944455 357393724 /nfs/dbraw/zinc/39/37/24/357393724.db2.gz CYTDSSJHSUHBJI-CYBMUJFWSA-N 1 0 307.350 1.526 20 5 DDBDRO CCN(C(=O)COc1ccccc1[N+](=O)[O-])[C@@H]1CC[N@H+](C)C1 ZINC000597944572 357394032 /nfs/dbraw/zinc/39/40/32/357394032.db2.gz FPZDIILZZCGZOR-GFCCVEGCSA-N 1 0 307.350 1.526 20 5 DDBDRO CCN(C(=O)COc1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@H+](CC)C1 ZINC000598041437 357439856 /nfs/dbraw/zinc/43/98/56/357439856.db2.gz LWTAZKRMNMRNSJ-AWEZNQCLSA-N 1 0 321.377 1.916 20 5 DDBDRO Cn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)n1 ZINC000598218893 357497117 /nfs/dbraw/zinc/49/71/17/357497117.db2.gz IYJBJOXCZKLKIS-NSHDSACASA-N 1 0 321.381 1.465 20 5 DDBDRO O=C(N[C@H]1CC[N@@H+](C2CCCCC2)C1)c1c[nH]nc1[N+](=O)[O-] ZINC000598221928 357498271 /nfs/dbraw/zinc/49/82/71/357498271.db2.gz YRASKIRXHNGQOM-JTQLQIEISA-N 1 0 307.354 1.455 20 5 DDBDRO O=C(NCC1CC[NH+](CC2CC2)CC1)c1[nH]ncc1[N+](=O)[O-] ZINC000598540492 357626866 /nfs/dbraw/zinc/62/68/66/357626866.db2.gz KZLAZRATPGGJRI-UHFFFAOYSA-N 1 0 307.354 1.170 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)c1 ZINC000598670174 357679127 /nfs/dbraw/zinc/67/91/27/357679127.db2.gz RIUXWQLWZPXMBI-ZUZCIYMTSA-N 1 0 305.334 1.557 20 5 DDBDRO COC(=O)C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000347956717 283305811 /nfs/dbraw/zinc/30/58/11/283305811.db2.gz JKHJIFNASSMNQT-AWEZNQCLSA-N 1 0 324.381 1.893 20 5 DDBDRO C[C@@H]1CC(F)(F)CC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000599623364 357995983 /nfs/dbraw/zinc/99/59/83/357995983.db2.gz OXUUFODZMDMABX-MWLCHTKSSA-N 1 0 304.297 1.272 20 5 DDBDRO COC(=O)[C@]1(OC)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000600192455 358152052 /nfs/dbraw/zinc/15/20/52/358152052.db2.gz OQFZEHPSRBVXHJ-HNNXBMFYSA-N 1 0 308.334 1.667 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CC[C@H]2CCCOC2)c1 ZINC000600747585 358306022 /nfs/dbraw/zinc/30/60/22/358306022.db2.gz YZUVRSSTMOQUOS-HIFRSBDPSA-N 1 0 324.377 1.741 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2ccnn2CC2CCC2)c1 ZINC000601110376 358405645 /nfs/dbraw/zinc/40/56/45/358405645.db2.gz BXLOJOQSSNBZHK-UHFFFAOYSA-N 1 0 304.354 1.578 20 5 DDBDRO CC[NH+](CC)CC[C@H](CO)Nc1ncc(F)cc1[N+](=O)[O-] ZINC000601160759 358427427 /nfs/dbraw/zinc/42/74/27/358427427.db2.gz ZQQJEKNIWZJHKA-LLVKDONJSA-N 1 0 300.334 1.634 20 5 DDBDRO C[NH+](C)CCCS(=O)(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000601378334 358524024 /nfs/dbraw/zinc/52/40/24/358524024.db2.gz AVIJYVKBULKKAU-UHFFFAOYSA-N 1 0 315.395 1.008 20 5 DDBDRO O=[N+]([O-])c1cn(C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000601953303 358751685 /nfs/dbraw/zinc/75/16/85/358751685.db2.gz DXNQTOIYSIPRIM-OAHLLOKOSA-N 1 0 302.334 1.428 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000601975935 358761874 /nfs/dbraw/zinc/76/18/74/358761874.db2.gz NVSDAOPHLBPTOQ-NSHDSACASA-N 1 0 306.366 1.806 20 5 DDBDRO CC[NH+](CC)CCOCCNC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000348155566 283393828 /nfs/dbraw/zinc/39/38/28/283393828.db2.gz GMLQSNJUURNUKT-UHFFFAOYSA-N 1 0 324.381 1.386 20 5 DDBDRO CN1CCC[C@H]1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602527909 359027328 /nfs/dbraw/zinc/02/73/28/359027328.db2.gz JOSSDVORAAVEQD-AWEZNQCLSA-N 1 0 319.409 1.642 20 5 DDBDRO CC[C@H](CCO)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602553846 359042430 /nfs/dbraw/zinc/04/24/30/359042430.db2.gz WFGOASIFXYGXCI-GFCCVEGCSA-N 1 0 308.382 1.709 20 5 DDBDRO CC(C)(C)c1ccc(C(=O)NC[C@H]2COCC[NH2+]2)cc1[N+](=O)[O-] ZINC000602557478 359044404 /nfs/dbraw/zinc/04/44/04/359044404.db2.gz OQLCFQCNVNTTMJ-LBPRGKRZSA-N 1 0 321.377 1.611 20 5 DDBDRO CCCCNC(=O)[C@H]1CCC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602453997 358987724 /nfs/dbraw/zinc/98/77/24/358987724.db2.gz LTYGUHTXYCDPPR-LBPRGKRZSA-N 1 0 323.397 1.457 20 5 DDBDRO CCOC[C@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602622897 359080389 /nfs/dbraw/zinc/08/03/89/359080389.db2.gz NKJMNBOTCPLROT-LBPRGKRZSA-N 1 0 308.382 1.973 20 5 DDBDRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000602573795 359051202 /nfs/dbraw/zinc/05/12/02/359051202.db2.gz MXGDWKSCCCADND-JOYOIKCWSA-N 1 0 300.318 1.623 20 5 DDBDRO CC[C@](C)(C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1)OC ZINC000602689154 359127014 /nfs/dbraw/zinc/12/70/14/359127014.db2.gz WALHXDZXGSAJNW-OAHLLOKOSA-N 1 0 308.382 1.927 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000602843193 359231399 /nfs/dbraw/zinc/23/13/99/359231399.db2.gz WERNWIYYNUDZDW-BFHYXJOUSA-N 1 0 308.382 1.725 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000602843985 359232663 /nfs/dbraw/zinc/23/26/63/359232663.db2.gz ZSJUBFRHMHNNGK-IACUBPJLSA-N 1 0 308.382 1.893 20 5 DDBDRO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](C[C@@H]1CCc3ncnn31)CC2 ZINC000602802391 359202202 /nfs/dbraw/zinc/20/22/02/359202202.db2.gz QRAFTHPQYFBUMD-NSHDSACASA-N 1 0 300.322 1.127 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC([C@H]2CCCO2)CC1 ZINC000602814868 359210658 /nfs/dbraw/zinc/21/06/58/359210658.db2.gz FWDRYBIJTZSWMT-CQSZACIVSA-N 1 0 308.382 1.991 20 5 DDBDRO COCC[N@@H+]1CCC[C@@H](NC(=O)c2c(C)cccc2[N+](=O)[O-])C1 ZINC000618455656 363637324 /nfs/dbraw/zinc/63/73/24/363637324.db2.gz COYVSBXIRZPIJP-CYBMUJFWSA-N 1 0 321.377 1.744 20 5 DDBDRO Cn1nccc1CC[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602962861 359326514 /nfs/dbraw/zinc/32/65/14/359326514.db2.gz PTBVCXPVVAZQFP-OAHLLOKOSA-N 1 0 304.350 1.368 20 5 DDBDRO CC[C@]1(O)CCC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000602982688 359337755 /nfs/dbraw/zinc/33/77/55/359337755.db2.gz WUAJRYJQQFKXQC-ZBFHGGJFSA-N 1 0 324.377 1.571 20 5 DDBDRO O=[N+]([O-])c1ccc(CCn2cc(C[C@@H]3CC[NH2+]C3)nn2)cc1 ZINC000603199208 359474662 /nfs/dbraw/zinc/47/46/62/359474662.db2.gz WDHWSWADQYKJNU-ZDUSSCGKSA-N 1 0 301.350 1.581 20 5 DDBDRO Cc1nn(CCC[NH+]2CCN(C)CC2)c2ncc([N+](=O)[O-])cc12 ZINC000603328629 359571312 /nfs/dbraw/zinc/57/13/12/359571312.db2.gz SMABXEXRBZHSAI-UHFFFAOYSA-N 1 0 318.381 1.285 20 5 DDBDRO COc1cc(OCC(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000186811320 200015264 /nfs/dbraw/zinc/01/52/64/200015264.db2.gz VSOVXZPXAQWRSY-CMPLNLGQSA-N 1 0 323.349 1.096 20 5 DDBDRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000186876325 200026512 /nfs/dbraw/zinc/02/65/12/200026512.db2.gz NUSJTKOBZCILRL-DOMZBBRYSA-N 1 0 320.393 1.901 20 5 DDBDRO O=C1CCc2cc([N+](=O)[O-])c(NC[C@H]3CSCC[NH2+]3)cc2N1 ZINC000603419687 359629244 /nfs/dbraw/zinc/62/92/44/359629244.db2.gz PMUQZBZPMIDOPM-JTQLQIEISA-N 1 0 322.390 1.596 20 5 DDBDRO CNS(=O)(=O)CC[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000187172248 200071502 /nfs/dbraw/zinc/07/15/02/200071502.db2.gz QMLSGTTUXUVVMG-JTQLQIEISA-N 1 0 301.368 1.103 20 5 DDBDRO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1CC(C)(C)O ZINC000188682628 200286639 /nfs/dbraw/zinc/28/66/39/200286639.db2.gz XESPLXDOICZCAF-GFCCVEGCSA-N 1 0 321.377 1.512 20 5 DDBDRO [NH3+]C1CCC(NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000237854616 202370231 /nfs/dbraw/zinc/37/02/31/202370231.db2.gz VGTIKLZDXXCRQL-UHFFFAOYSA-N 1 0 311.313 1.499 20 5 DDBDRO O=C(NC[C@@H]1CCC[NH2+]C1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000237938056 202396877 /nfs/dbraw/zinc/39/68/77/202396877.db2.gz QCJWJSKMKHGHCP-LLVKDONJSA-N 1 0 318.377 1.899 20 5 DDBDRO Cc1[nH]nc(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)c1[N+](=O)[O-] ZINC000608915370 360252822 /nfs/dbraw/zinc/25/28/22/360252822.db2.gz CJEJDVDQVQWHMC-UHFFFAOYSA-N 1 0 313.277 1.459 20 5 DDBDRO COCC[N@@H+]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000609269895 360285713 /nfs/dbraw/zinc/28/57/13/360285713.db2.gz ZDPHISSCBIJCJB-AWEZNQCLSA-N 1 0 321.377 1.744 20 5 DDBDRO C[NH+](C)C1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000609417136 360305662 /nfs/dbraw/zinc/30/56/62/360305662.db2.gz JBJMWFAOQWRLCQ-UHFFFAOYSA-N 1 0 321.333 1.490 20 5 DDBDRO C[N@@H+]1CCC[C@@H](N2CCN(c3ccncc3[N+](=O)[O-])CC2)C1 ZINC000609675107 360344047 /nfs/dbraw/zinc/34/40/47/360344047.db2.gz VWRQGXQVULHGDU-CYBMUJFWSA-N 1 0 305.382 1.206 20 5 DDBDRO C[N@@H+]1CCC[C@H](N2CCN(c3ccc([N+](=O)[O-])s3)CC2)C1 ZINC000609675066 360344094 /nfs/dbraw/zinc/34/40/94/360344094.db2.gz RFMBUGPEENNJKI-LBPRGKRZSA-N 1 0 310.423 1.873 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c1 ZINC000610276251 360406268 /nfs/dbraw/zinc/40/62/68/360406268.db2.gz FZMSZUCHGMHVFV-GDBMZVCRSA-N 1 0 321.377 1.639 20 5 DDBDRO CNC(=O)c1ccc(N2CCC[C@@H]2C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000610705324 360509901 /nfs/dbraw/zinc/50/99/01/360509901.db2.gz DRSPIYYNJPOTMA-GFCCVEGCSA-N 1 0 306.366 1.485 20 5 DDBDRO O=[N+]([O-])c1cc2c(cc1CN1CC[NH+](C3CC3)CC1)OCCO2 ZINC000611253830 360680627 /nfs/dbraw/zinc/68/06/27/360680627.db2.gz IBMNTNRTHSTOHJ-UHFFFAOYSA-N 1 0 319.361 1.646 20 5 DDBDRO CC[N@@H+]1CCCC[C@H]1CNc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000611525911 360748193 /nfs/dbraw/zinc/74/81/93/360748193.db2.gz OEYUTOBLFRHSGM-ZDUSSCGKSA-N 1 0 308.382 1.956 20 5 DDBDRO C[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C[C@H](O)C1CC1 ZINC000612086862 360915035 /nfs/dbraw/zinc/91/50/35/360915035.db2.gz YZYIHLRJYCOCLA-OCCSQVGLSA-N 1 0 310.350 1.037 20 5 DDBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]CC[C@H]1CCOC1)OCCO2 ZINC000612201716 360941951 /nfs/dbraw/zinc/94/19/51/360941951.db2.gz ORVCPXANLBUDJT-NSHDSACASA-N 1 0 308.334 1.882 20 5 DDBDRO Cn1ccc(CC[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)n1 ZINC000612803920 361150664 /nfs/dbraw/zinc/15/06/64/361150664.db2.gz DLGRDIDVOZUNJZ-UHFFFAOYSA-N 1 0 318.333 1.432 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC[C@@H]([NH+]3CCOCC3)CC2)cn1 ZINC000565906567 304103029 /nfs/dbraw/zinc/10/30/29/304103029.db2.gz ZBJNYGXKASNBRX-CYBMUJFWSA-N 1 0 306.366 1.681 20 5 DDBDRO Cc1ccc(C(=O)N2CCC[C@](O)(C[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000618923089 363802670 /nfs/dbraw/zinc/80/26/70/363802670.db2.gz CZORMVJJYLHRCR-INIZCTEOSA-N 1 0 321.377 1.432 20 5 DDBDRO C[N@H+](CCO)CCNc1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001120459635 781959250 /nfs/dbraw/zinc/95/92/50/781959250.db2.gz DOZBUUQYHCFQKP-UHFFFAOYSA-N 1 0 307.272 1.950 20 5 DDBDRO Cc1nn(CCC(=O)N2CC[C@H](C)C[C@@H]2C[NH3+])c(C)c1[N+](=O)[O-] ZINC000261879398 203142054 /nfs/dbraw/zinc/14/20/54/203142054.db2.gz TXDFTPKEQGVHAJ-GXFFZTMASA-N 1 0 323.397 1.384 20 5 DDBDRO O=C(Cc1ccccc1[N+](=O)[O-])N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261846824 203132252 /nfs/dbraw/zinc/13/22/52/203132252.db2.gz QAXUZHYVRBRKTH-OKILXGFUSA-N 1 0 303.362 1.595 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)c1 ZINC000261937195 203157932 /nfs/dbraw/zinc/15/79/32/203157932.db2.gz UCRWQCFMCGXGOJ-CYBMUJFWSA-N 1 0 318.377 1.023 20 5 DDBDRO C[C@@H](C[NH3+])NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000262546936 203324337 /nfs/dbraw/zinc/32/43/37/203324337.db2.gz VSFXITOJDRAYFY-QMMMGPOBSA-N 1 0 301.730 1.481 20 5 DDBDRO COc1cc(OCC(=O)N2CC[NH2+][C@@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000262734379 203395040 /nfs/dbraw/zinc/39/50/40/203395040.db2.gz CCEHEYLHJOLBBZ-QWRGUYRKSA-N 1 0 323.349 1.191 20 5 DDBDRO C[N@@H+]1CC[C@@H](CNC(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000264611082 204027812 /nfs/dbraw/zinc/02/78/12/204027812.db2.gz IAAVRFQHFXUONI-NSHDSACASA-N 1 0 309.391 1.755 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NCC[N@H+](C)C1CC1 ZINC000264918512 204269752 /nfs/dbraw/zinc/26/97/52/204269752.db2.gz YQLXFDGVQDPHIH-UHFFFAOYSA-N 1 0 322.365 1.497 20 5 DDBDRO CNC(=O)c1ccc(N2CC[C@H](C[NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000264983330 204324277 /nfs/dbraw/zinc/32/42/77/204324277.db2.gz RMXVURNFBBPMSP-LLVKDONJSA-N 1 0 306.366 1.342 20 5 DDBDRO CCCNC(=O)NC(=O)CN(C)CCc1cccc([N+](=O)[O-])c1 ZINC000282544214 217076703 /nfs/dbraw/zinc/07/67/03/217076703.db2.gz WJJKLZSCUJDRAL-UHFFFAOYSA-N 1 0 322.365 1.305 20 5 DDBDRO COCCn1cc(C[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)cn1 ZINC000266214559 205188584 /nfs/dbraw/zinc/18/85/84/205188584.db2.gz PNZBYIJRVKDLEL-UHFFFAOYSA-N 1 0 320.349 1.736 20 5 DDBDRO CCn1c(CC[NH3+])nnc1Sc1cc(C)c([N+](=O)[O-])cn1 ZINC000267347509 206000554 /nfs/dbraw/zinc/00/05/54/206000554.db2.gz FXAZPPBUXYDSCJ-UHFFFAOYSA-N 1 0 308.367 1.562 20 5 DDBDRO C[NH+](C)C[C@@H]1CCCN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000267443855 206071862 /nfs/dbraw/zinc/07/18/62/206071862.db2.gz CPYFYMAOFCYYFJ-NSHDSACASA-N 1 0 317.349 1.637 20 5 DDBDRO CNc1c(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)cccc1[N+](=O)[O-] ZINC000336870662 249276627 /nfs/dbraw/zinc/27/66/27/249276627.db2.gz BMHAFAMLGBOKQN-NEPJUHHUSA-N 1 0 318.377 1.945 20 5 DDBDRO O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CCC[NH2+]CC1 ZINC000261973105 296268291 /nfs/dbraw/zinc/26/82/91/296268291.db2.gz DXEIBAOHABLNAX-UHFFFAOYSA-N 1 0 315.333 1.216 20 5 DDBDRO CCNC(=O)C[C@H]1CCCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000284864682 218213203 /nfs/dbraw/zinc/21/32/03/218213203.db2.gz SHEDHWYPUGOGLT-GFCCVEGCSA-N 1 0 309.370 1.172 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CN1CCO[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000284923283 218236027 /nfs/dbraw/zinc/23/60/27/218236027.db2.gz UDBBXQCDVTWMIZ-GOEBONIOSA-N 1 0 321.377 1.508 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[N@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000105820980 194135649 /nfs/dbraw/zinc/13/56/49/194135649.db2.gz PYQOCSXXNYEPFO-CHWSQXEVSA-N 1 0 323.393 1.490 20 5 DDBDRO CCCc1n[nH]c(C(=O)NC[C@H](C2CC2)[NH+](C)C)c1[N+](=O)[O-] ZINC000109619798 194277501 /nfs/dbraw/zinc/27/75/01/194277501.db2.gz IFTOCSBSHPFORW-LLVKDONJSA-N 1 0 309.370 1.340 20 5 DDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]([NH+](C)C)C1 ZINC000109806069 194288353 /nfs/dbraw/zinc/28/83/53/194288353.db2.gz UGANIMXVOKTLCZ-DOMZBBRYSA-N 1 0 320.393 1.948 20 5 DDBDRO CC[C@H]([NH2+]C[C@H]1CN(C)CCN1C)c1cccc([N+](=O)[O-])c1 ZINC000268961860 207126791 /nfs/dbraw/zinc/12/67/91/207126791.db2.gz XKTLGIHFIJXNHL-HOTGVXAUSA-N 1 0 306.410 1.881 20 5 DDBDRO COc1cc(C(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)cc([N+](=O)[O-])c1OC ZINC000269179304 207299618 /nfs/dbraw/zinc/29/96/18/207299618.db2.gz COUSUGXPWSNPLD-GXSJLCMTSA-N 1 0 323.349 1.421 20 5 DDBDRO CC(C)[C@@H](O)CC[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000567876663 304250498 /nfs/dbraw/zinc/25/04/98/304250498.db2.gz WHUYSPZDUPXWJN-JSGCOSHPSA-N 1 0 312.366 1.331 20 5 DDBDRO O=[N+]([O-])c1cccc(F)c1CN1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000352487482 285085708 /nfs/dbraw/zinc/08/57/08/285085708.db2.gz FMMNWFZLHYXULM-LBPRGKRZSA-N 1 0 308.357 1.213 20 5 DDBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N[C@H]1CCC[NH2+]C1 ZINC000120293224 195138245 /nfs/dbraw/zinc/13/82/45/195138245.db2.gz GHROHXXUIPVFTA-ZDUSSCGKSA-N 1 0 306.366 1.655 20 5 DDBDRO Cc1c(C(=O)N[C@@H]2CCC[C@H]2C[NH3+])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000157892238 197224557 /nfs/dbraw/zinc/22/45/57/197224557.db2.gz XWJWFNAGJLWFIU-JOYOIKCWSA-N 1 0 322.321 1.669 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000430965995 533138660 /nfs/dbraw/zinc/13/86/60/533138660.db2.gz NGYLWXRNNMJBQK-PHIMTYICSA-N 1 0 322.365 1.224 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C)[C@H](C)CO ZINC000295773170 533138747 /nfs/dbraw/zinc/13/87/47/533138747.db2.gz QBCNEYHXHJEQTH-ZJUUUORDSA-N 1 0 311.338 1.148 20 5 DDBDRO COCC[NH2+]C1CCN(C(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000568149744 304268793 /nfs/dbraw/zinc/26/87/93/304268793.db2.gz YQWATRQOAGRUAY-UHFFFAOYSA-N 1 0 321.377 1.744 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N[C@@H](C)C[NH+](C)C)c1F ZINC000412342744 533217120 /nfs/dbraw/zinc/21/71/20/533217120.db2.gz HARBSKCKHAIVPZ-VIFPVBQESA-N 1 0 313.329 1.351 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[NH2+][C@@H](C)[C@@H]1C ZINC000417186415 533220659 /nfs/dbraw/zinc/22/06/59/533220659.db2.gz SXMWDSSIJROIAW-QWRGUYRKSA-N 1 0 322.365 1.495 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000414656472 533225337 /nfs/dbraw/zinc/22/53/37/533225337.db2.gz MZLSJOCFXAKEGH-UWVGGRQHSA-N 1 0 308.338 1.804 20 5 DDBDRO O=C(COc1cccc([N+](=O)[O-])c1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000290041461 221397286 /nfs/dbraw/zinc/39/72/86/221397286.db2.gz GOEPMRXGUQVZDG-NEPJUHHUSA-N 1 0 305.334 1.042 20 5 DDBDRO CC(C)[C@](C)(CO)[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000352909463 285380679 /nfs/dbraw/zinc/38/06/79/285380679.db2.gz JAFCVRQYGCMSNJ-INIZCTEOSA-N 1 0 321.377 1.481 20 5 DDBDRO COc1cccc(C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)c1[N+](=O)[O-] ZINC000457364302 533402384 /nfs/dbraw/zinc/40/23/84/533402384.db2.gz AZCRKBFEZMDCBD-WDEREUQCSA-N 1 0 305.334 1.285 20 5 DDBDRO O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3cnccn3)C2)nc1 ZINC000568723181 304307469 /nfs/dbraw/zinc/30/74/69/304307469.db2.gz NXMVFZKXWUXZBY-NSHDSACASA-N 1 0 300.322 1.466 20 5 DDBDRO CC[NH+](CC)CCO[C@@H]1CCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000353475602 285757612 /nfs/dbraw/zinc/75/76/12/285757612.db2.gz JCUZZTDUBHYBTH-CQSZACIVSA-N 1 0 308.382 1.927 20 5 DDBDRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000285923639 296587361 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O=[N+]([O-])c1ccc(CS(=O)(=O)NC[C@H]2CCCC[NH2+]2)cc1 ZINC000044492743 407024134 /nfs/dbraw/zinc/02/41/34/407024134.db2.gz FSFSJDXXTYHHPD-GFCCVEGCSA-N 1 0 313.379 1.156 20 5 DDBDRO C[NH2+][C@H]1CCCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000053202827 407164843 /nfs/dbraw/zinc/16/48/43/407164843.db2.gz DNBCOLCSQFSQKL-LBPRGKRZSA-N 1 0 313.379 1.108 20 5 DDBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000055407111 407202921 /nfs/dbraw/zinc/20/29/21/407202921.db2.gz ZRXVHYRLFMPWOJ-NWDGAFQWSA-N 1 0 309.370 1.028 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000055539533 407204075 /nfs/dbraw/zinc/20/40/75/407204075.db2.gz UNOZHHBIJXHMIZ-NSHDSACASA-N 1 0 306.366 1.760 20 5 DDBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000097667749 407301218 /nfs/dbraw/zinc/30/12/18/407301218.db2.gz GDHHXCFIRXVDHA-GHMZBOCLSA-N 1 0 322.365 1.133 20 5 DDBDRO Cc1nn(CCC(=O)NC[C@@H]2CCC[N@@H+](C)C2)c(C)c1[N+](=O)[O-] ZINC000108330941 407383886 /nfs/dbraw/zinc/38/38/86/407383886.db2.gz UECLASYXDNFCFX-ZDUSSCGKSA-N 1 0 323.397 1.256 20 5 DDBDRO O=[N+]([O-])c1cc(CN2CC[NH+](C3CC3)CC2)c2c(c1)COCO2 ZINC000126049562 407403607 /nfs/dbraw/zinc/40/36/07/407403607.db2.gz ZFXQZKZRCQMRTK-UHFFFAOYSA-N 1 0 319.361 1.741 20 5 DDBDRO CNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000111267856 407403731 /nfs/dbraw/zinc/40/37/31/407403731.db2.gz JSHPOGOMCWTHSP-GFCCVEGCSA-N 1 0 307.350 1.561 20 5 DDBDRO CC[C@H]([NH3+])CNS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000111304205 407407229 /nfs/dbraw/zinc/40/72/29/407407229.db2.gz TVEVLOMKUMQQAN-JTQLQIEISA-N 1 0 301.368 1.227 20 5 DDBDRO CC[C@H](C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)[NH+](C)C ZINC000126426160 407413505 /nfs/dbraw/zinc/41/35/05/407413505.db2.gz QZIYNTZKOJKVFV-OAHLLOKOSA-N 1 0 320.393 1.584 20 5 DDBDRO CCC(CC)(C[NH3+])NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000111832287 407417348 /nfs/dbraw/zinc/41/73/48/407417348.db2.gz GWCXTZLWQXOLTI-UHFFFAOYSA-N 1 0 315.395 1.699 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000127864741 407473159 /nfs/dbraw/zinc/47/31/59/407473159.db2.gz YBPZCXLAMGQQDD-UHFFFAOYSA-N 1 0 321.381 1.419 20 5 DDBDRO CN(C(=O)CN1CC[N@H+](C)CC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000270986870 407454572 /nfs/dbraw/zinc/45/45/72/407454572.db2.gz DDOOYNNPPMMMDV-UHFFFAOYSA-N 1 0 320.393 1.584 20 5 DDBDRO C[C@@H]1C[C@H](NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C[N@@H+]1C1CC1 ZINC000185820205 407511877 /nfs/dbraw/zinc/51/18/77/407511877.db2.gz QTDXWVQKRDJVPU-SCZZXKLOSA-N 1 0 306.322 1.050 20 5 DDBDRO Cc1c(C(=O)NCC[C@@H](C)[NH3+])cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000178667652 407536270 /nfs/dbraw/zinc/53/62/70/407536270.db2.gz FNIHTZVVQAQZPK-SSDOTTSWSA-N 1 0 310.310 1.587 20 5 DDBDRO Cn1ccnc1[C@@H]1C[NH2+]CCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000261740337 407597847 /nfs/dbraw/zinc/59/78/47/407597847.db2.gz KNXBLIRMPCRBPW-AWEZNQCLSA-N 1 0 319.340 1.614 20 5 DDBDRO CC(C)(O)C[NH+]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000129954759 407636271 /nfs/dbraw/zinc/63/62/71/407636271.db2.gz ITIHPRYLTOUCLZ-FNORWQNLSA-N 1 0 319.405 1.997 20 5 DDBDRO C[NH2+]C[C@H]1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000178972782 407679602 /nfs/dbraw/zinc/67/96/02/407679602.db2.gz GOOCAEGFULDVGC-SECBINFHSA-N 1 0 303.322 1.153 20 5 DDBDRO O=C(COc1cccc([N+](=O)[O-])c1)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186531875 407693408 /nfs/dbraw/zinc/69/34/08/407693408.db2.gz XHFVVORDUWXJTF-LBPRGKRZSA-N 1 0 319.361 1.717 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000171626214 407723638 /nfs/dbraw/zinc/72/36/38/407723638.db2.gz BEDVKTIRAKAEAY-CABCVRRESA-N 1 0 321.377 1.115 20 5 DDBDRO CO[C@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2C)[C@@H](C[NH3+])C1 ZINC000262337209 407803224 /nfs/dbraw/zinc/80/32/24/407803224.db2.gz TZDRVPNJEJWQNI-NEPJUHHUSA-N 1 0 307.350 1.482 20 5 DDBDRO C[C@@H]1CCCN(C(=O)COc2ccc([N+](=O)[O-])cc2)[C@@H]1C[NH3+] ZINC000237502388 407822479 /nfs/dbraw/zinc/82/24/79/407822479.db2.gz GPIZCUKFDGTQSU-BXUZGUMPSA-N 1 0 307.350 1.559 20 5 DDBDRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000262777572 407928294 /nfs/dbraw/zinc/92/82/94/407928294.db2.gz LYRIIFNATYTJLB-MFKMUULPSA-N 1 0 309.391 1.801 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[NH2+][C@H](C)[C@@H]1C ZINC000262786286 407930658 /nfs/dbraw/zinc/93/06/58/407930658.db2.gz QLKYESDILCDMDK-MNOVXSKESA-N 1 0 313.379 1.274 20 5 DDBDRO COCC[N@H+](C)CCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000134770735 407935046 /nfs/dbraw/zinc/93/50/46/407935046.db2.gz LWXZNWQRFZGFGT-UHFFFAOYSA-N 1 0 315.757 1.556 20 5 DDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000180995979 407943797 /nfs/dbraw/zinc/94/37/97/407943797.db2.gz JVDMBFOHIQUONM-UHFFFAOYSA-N 1 0 304.350 1.487 20 5 DDBDRO CC(C)[NH+]1CCC(O)(CNC(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000268422288 408038335 /nfs/dbraw/zinc/03/83/35/408038335.db2.gz BDTFTPPJYALFTL-UHFFFAOYSA-N 1 0 321.377 1.560 20 5 DDBDRO CC[NH+](CC)CCCNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000181827306 408045873 /nfs/dbraw/zinc/04/58/73/408045873.db2.gz YJNZSYVWKDGSAN-UHFFFAOYSA-N 1 0 319.365 1.975 20 5 DDBDRO C[C@H]1C[C@@H](NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC[NH2+]1 ZINC000262955601 407983970 /nfs/dbraw/zinc/98/39/70/407983970.db2.gz VXTYATDEVFZRAL-IUCAKERBSA-N 1 0 303.322 1.341 20 5 DDBDRO CNC(=O)[C@@H]1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000154218760 407995899 /nfs/dbraw/zinc/99/58/99/407995899.db2.gz UOCAXOXNHFMONH-OCCSQVGLSA-N 1 0 307.350 1.086 20 5 DDBDRO CCCCC[N@H+](CCOc1cccc([N+](=O)[O-])c1)CC(N)=O ZINC000272599323 408000985 /nfs/dbraw/zinc/00/09/85/408000985.db2.gz QQZMLDXMNOLMMM-UHFFFAOYSA-N 1 0 309.366 1.951 20 5 DDBDRO COc1cc(C[NH2+][C@@H]2C[C@@H](O)C2(C)C)c([N+](=O)[O-])cc1OC ZINC000189349545 408008899 /nfs/dbraw/zinc/00/88/99/408008899.db2.gz SCGOMUBRHJZLAY-ZIAGYGMSSA-N 1 0 310.350 1.861 20 5 DDBDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)c2[nH]ncc2[N+](=O)[O-])C1 ZINC000136096431 408077301 /nfs/dbraw/zinc/07/73/01/408077301.db2.gz FZTWZLTUVBSEPD-LLVKDONJSA-N 1 0 309.370 1.560 20 5 DDBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)c2[nH]ncc2[N+](=O)[O-])C1 ZINC000136205214 408088237 /nfs/dbraw/zinc/08/82/37/408088237.db2.gz FSWAIRMBJUMVTD-VXGBXAGGSA-N 1 0 323.397 1.806 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCCSCC1 ZINC000273170911 408091012 /nfs/dbraw/zinc/09/10/12/408091012.db2.gz OTZNHASXHUBTOZ-GFCCVEGCSA-N 1 0 312.391 1.773 20 5 DDBDRO O=[N+]([O-])c1ccn(CCN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC000246518867 408279599 /nfs/dbraw/zinc/27/95/99/408279599.db2.gz IPUKQCNMPHFQGS-DZGCQCFKSA-N 1 0 319.409 1.740 20 5 DDBDRO CN(C)c1ncccc1NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000176122046 408289734 /nfs/dbraw/zinc/28/97/34/408289734.db2.gz JIKJOALSLDZNGM-UHFFFAOYSA-N 1 0 301.306 1.890 20 5 DDBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)C[C@H]1COc2ccccc2O1 ZINC000176193556 408303964 /nfs/dbraw/zinc/30/39/64/408303964.db2.gz ZDGOETREDMCHHZ-LBPRGKRZSA-N 1 0 318.333 1.563 20 5 DDBDRO COC(=O)c1ccc(C[N@H+](C)CCn2ccc([N+](=O)[O-])n2)cc1 ZINC000176205764 408308638 /nfs/dbraw/zinc/30/86/38/408308638.db2.gz CRYRGVCEAUWTTD-UHFFFAOYSA-N 1 0 318.333 1.710 20 5 DDBDRO COc1cc(CN(C[C@@H](C)O)[C@@H](C)CO)c([N+](=O)[O-])cc1F ZINC000190936089 408343206 /nfs/dbraw/zinc/34/32/06/408343206.db2.gz HUHFHAIQEAUHPR-VHSXEESVSA-N 1 0 316.329 1.306 20 5 DDBDRO C[NH+](C)C[C@](C)(O)CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000269859481 408450694 /nfs/dbraw/zinc/45/06/94/408450694.db2.gz CLJKQILNYRLCCU-MRXNPFEDSA-N 1 0 323.393 1.301 20 5 DDBDRO COCCN(CC[NH+](C)C)C(=O)c1cccc([N+](=O)[O-])c1C ZINC000264230298 408412238 /nfs/dbraw/zinc/41/22/38/408412238.db2.gz XURIIPHXXHPDML-UHFFFAOYSA-N 1 0 309.366 1.553 20 5 DDBDRO C[C@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2N)CC[N@@H+]1C ZINC000274660458 408486013 /nfs/dbraw/zinc/48/60/13/408486013.db2.gz YSMGRNGSUQXUFB-QWRGUYRKSA-N 1 0 306.366 1.732 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000247534426 408488828 /nfs/dbraw/zinc/48/88/28/408488828.db2.gz XNRBTZVELILIHX-CMPLNLGQSA-N 1 0 306.366 1.853 20 5 DDBDRO C[C@H]1C[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C[N@@H+]1C1CC1 ZINC000177081925 408515066 /nfs/dbraw/zinc/51/50/66/408515066.db2.gz XZISOKHRSOTQCL-WCBMZHEXSA-N 1 0 322.340 1.671 20 5 DDBDRO C[C@@H](CC[NH+](C)C)NC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000264894031 408549590 /nfs/dbraw/zinc/54/95/90/408549590.db2.gz KIOGKTJWHMJASM-NSHDSACASA-N 1 0 308.382 1.731 20 5 DDBDRO Cn1cc([N+](=O)[O-])c(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)n1 ZINC000270766574 408672023 /nfs/dbraw/zinc/67/20/23/408672023.db2.gz GSZHRJTWUAEKPT-LLVKDONJSA-N 1 0 311.386 1.425 20 5 DDBDRO CCOc1ccc(C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1[N+](=O)[O-] ZINC000248638293 408606646 /nfs/dbraw/zinc/60/66/46/408606646.db2.gz QTSBCAHLJUAUCG-AVGNSLFASA-N 1 0 319.361 1.803 20 5 DDBDRO COC(=O)[C@]1(C)CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000177420531 408610020 /nfs/dbraw/zinc/61/00/20/408610020.db2.gz XGIRREKCSLNIMM-OAHLLOKOSA-N 1 0 308.334 1.859 20 5 DDBDRO CCc1n[nH]c(C(=O)NCCCC[NH+](CC)CC)c1[N+](=O)[O-] ZINC000192566431 408611938 /nfs/dbraw/zinc/61/19/38/408611938.db2.gz HZFMSBAONFDPPI-UHFFFAOYSA-N 1 0 311.386 1.732 20 5 DDBDRO O=C(NCCC[NH+]1CCC(O)CC1)c1csc([N+](=O)[O-])c1 ZINC000265623616 408717158 /nfs/dbraw/zinc/71/71/58/408717158.db2.gz RAWZYFMUJNANOQ-UHFFFAOYSA-N 1 0 313.379 1.233 20 5 DDBDRO CCC[C@@H]1CN(c2ccc([N+](=O)[O-])cn2)CC[N@@H+]1CCOC ZINC000270868123 408717449 /nfs/dbraw/zinc/71/74/49/408717449.db2.gz BBFQEKKFVOBCHC-CQSZACIVSA-N 1 0 308.382 1.927 20 5 DDBDRO O=C(Cn1cc([N+](=O)[O-])cn1)NCC[NH2+]C1CCCCCC1 ZINC000178177373 408783371 /nfs/dbraw/zinc/78/33/71/408783371.db2.gz APFIMZKXBJQMTR-UHFFFAOYSA-N 1 0 309.370 1.220 20 5 DDBDRO CO[C@@H]1C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC[C@H]1C ZINC000251933778 408791165 /nfs/dbraw/zinc/79/11/65/408791165.db2.gz UBUONCFZSBKOJG-IVMMDQJWSA-N 1 0 324.377 1.691 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000185135944 408766610 /nfs/dbraw/zinc/76/66/10/408766610.db2.gz VNIXVVYXNQXILX-BIMULSAOSA-N 1 0 305.334 1.413 20 5 DDBDRO C[C@H]([NH2+]CC(=O)N1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000178068687 408769162 /nfs/dbraw/zinc/76/91/62/408769162.db2.gz JVZRSLXNAMRVDA-LBPRGKRZSA-N 1 0 306.366 1.019 20 5 DDBDRO CS(=O)(=O)CCCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000185214620 408780637 /nfs/dbraw/zinc/78/06/37/408780637.db2.gz GTKDZVDZOIWRDP-UHFFFAOYSA-N 1 0 300.380 1.899 20 5 DDBDRO CC(C)[C@@H](C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[NH+](C)C ZINC000285837213 408874045 /nfs/dbraw/zinc/87/40/45/408874045.db2.gz SPGROQRBASQBIW-LBPRGKRZSA-N 1 0 305.338 1.996 20 5 DDBDRO C[C@@H]1CN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CCC1=O ZINC000276528120 408876344 /nfs/dbraw/zinc/87/63/44/408876344.db2.gz HGKZHIPOOFGODP-NEPJUHHUSA-N 1 0 308.334 1.245 20 5 DDBDRO CCC[C@]1([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCOC1 ZINC000285655082 408835687 /nfs/dbraw/zinc/83/56/87/408835687.db2.gz SPTKBNGPWIIHDE-CJNGLKHVSA-N 1 0 324.377 1.883 20 5 DDBDRO C[C@@H]1COCC[C@@H]1[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000277316241 408918227 /nfs/dbraw/zinc/91/82/27/408918227.db2.gz DEMGXZVWAOZARN-ZLDLUXBVSA-N 1 0 310.350 1.349 20 5 DDBDRO C[N@H+](C[C@H](O)CNC(C)(C)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000292080318 408976046 /nfs/dbraw/zinc/97/60/46/408976046.db2.gz FOFQSUXVXIFLNR-CYBMUJFWSA-N 1 0 307.394 1.875 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000277662802 408987338 /nfs/dbraw/zinc/98/73/38/408987338.db2.gz WOVVSQKJBABOKY-YPMHNXCESA-N 1 0 319.361 1.912 20 5 DDBDRO Cc1c(C(=O)N[C@H]2CC[NH2+]C[C@H]2C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000277672546 408989341 /nfs/dbraw/zinc/98/93/41/408989341.db2.gz UTDVNBURHSUPHP-PELKAZGASA-N 1 0 322.321 1.539 20 5 DDBDRO Cc1cc(N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)c(F)cc1[N+](=O)[O-] ZINC000292336547 409026703 /nfs/dbraw/zinc/02/67/03/409026703.db2.gz BCPJIDISWIIAHN-HUUCEWRRSA-N 1 0 309.341 1.952 20 5 DDBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000287413396 409033830 /nfs/dbraw/zinc/03/38/30/409033830.db2.gz ZOHKURQVQWIZFL-PWSUYJOCSA-N 1 0 320.349 1.394 20 5 DDBDRO C[N@H+](CCNC(=O)c1cc([N+](=O)[O-])n[nH]1)Cc1ccc(F)cc1 ZINC000287695534 409077489 /nfs/dbraw/zinc/07/74/89/409077489.db2.gz WXSLUDGFHPDOKY-UHFFFAOYSA-N 1 0 321.312 1.319 20 5 DDBDRO CN(C(=O)C[NH2+][C@H]1CCC[C@@H]1CCO)c1ccc([N+](=O)[O-])cc1 ZINC000279289282 409185540 /nfs/dbraw/zinc/18/55/40/409185540.db2.gz PGDBHBQBAJDXNR-DOMZBBRYSA-N 1 0 321.377 1.698 20 5 DDBDRO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000279281722 409184466 /nfs/dbraw/zinc/18/44/66/409184466.db2.gz WWTQROIHFVCQPC-OLZOCXBDSA-N 1 0 322.340 1.673 20 5 DDBDRO CCCc1n[nH]c(C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC000289190797 409230544 /nfs/dbraw/zinc/23/05/44/409230544.db2.gz IXMHNZSEULSLSI-HNNXBMFYSA-N 1 0 321.381 1.486 20 5 DDBDRO CN1CC[C@H]([NH2+]CCn2ccc([N+](=O)[O-])n2)[C@@H]1c1ccccc1 ZINC000289324459 409249210 /nfs/dbraw/zinc/24/92/10/409249210.db2.gz CSJJWRQLFGULFF-HOCLYGCPSA-N 1 0 315.377 1.826 20 5 DDBDRO C[C@@H]1C[C@H](N(C)C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC[N@@H+]1C ZINC000284195878 409294209 /nfs/dbraw/zinc/29/42/09/409294209.db2.gz ZFXGDLQTEGTKKE-NXEZZACHSA-N 1 0 324.356 1.871 20 5 DDBDRO C[C@@H]1OCC[C@@]12CN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)CCO2 ZINC000280337173 409294293 /nfs/dbraw/zinc/29/42/93/409294293.db2.gz HNWBZZUDHJAJQV-APHBMKBZSA-N 1 0 322.361 1.508 20 5 DDBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000290134237 409308028 /nfs/dbraw/zinc/30/80/28/409308028.db2.gz MAUUQYMVTLSDBT-KGLIPLIRSA-N 1 0 303.362 1.595 20 5 DDBDRO C[C@H](CO)[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)CC1CCC1 ZINC000280557876 409358845 /nfs/dbraw/zinc/35/88/45/409358845.db2.gz QYZDVEKCXQKLPP-GFCCVEGCSA-N 1 0 309.366 1.239 20 5 DDBDRO C[N@@H+]1CCO[C@@H]2CCN(c3ccc([N+](=O)[O-])c(N)c3F)C[C@H]21 ZINC000285018806 409393511 /nfs/dbraw/zinc/39/35/11/409393511.db2.gz MRVRPDUFEFIHCA-VXGBXAGGSA-N 1 0 310.329 1.225 20 5 DDBDRO CC(C)[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1COC1 ZINC000295278123 409411476 /nfs/dbraw/zinc/41/14/76/409411476.db2.gz CSBJHDOGACSFBF-CYBMUJFWSA-N 1 0 310.350 1.444 20 5 DDBDRO COCCOC[C@H](O)C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000295299180 409419629 /nfs/dbraw/zinc/41/96/29/409419629.db2.gz JXPQGKOYLOSRIS-OAHLLOKOSA-N 1 0 312.366 1.093 20 5 DDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H](C)CCC[NH3+] ZINC000313558869 164010558 /nfs/dbraw/zinc/01/05/58/164010558.db2.gz TXHLPYARYVBKMN-SECBINFHSA-N 1 0 301.368 1.309 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)CCC[NH3+] ZINC000313827586 164011510 /nfs/dbraw/zinc/01/15/10/164011510.db2.gz MQZFCJJCMJMLPG-VIFPVBQESA-N 1 0 317.367 1.009 20 5 DDBDRO CNc1c(C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)cccc1[N+](=O)[O-] ZINC000324009202 164049673 /nfs/dbraw/zinc/04/96/73/164049673.db2.gz NQLAIUFRNHSLCE-MRXNPFEDSA-N 1 0 318.377 1.804 20 5 DDBDRO Cc1cc(C(=O)N[C@H]2CCC[N@H+](CCCO)C2)ccc1[N+](=O)[O-] ZINC000295412601 409474158 /nfs/dbraw/zinc/47/41/58/409474158.db2.gz JLTZOKTUDOVGCT-AWEZNQCLSA-N 1 0 321.377 1.480 20 5 DDBDRO CC[N@@H+]1CCCC[C@@H]1CNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290704114 409492154 /nfs/dbraw/zinc/49/21/54/409492154.db2.gz WJXJMSMPFAAKNB-SNVBAGLBSA-N 1 0 307.354 1.375 20 5 DDBDRO C[C@H](C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])CS(C)(=O)=O ZINC000342301913 409567978 /nfs/dbraw/zinc/56/79/78/409567978.db2.gz NKCIRHREEJXORL-MNOVXSKESA-N 1 0 300.380 1.926 20 5 DDBDRO CC(C)O[C@@H]1C[C@@H]([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)C1(C)C ZINC000296389187 409523991 /nfs/dbraw/zinc/52/39/91/409523991.db2.gz UEUBRADITYTABA-ZIAGYGMSSA-N 1 0 323.393 1.938 20 5 DDBDRO CC(C)[N@H+](C)C[C@H](C)NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000356773804 409588966 /nfs/dbraw/zinc/58/89/66/409588966.db2.gz MLOZPHIKAUHSPH-LBPRGKRZSA-N 1 0 309.366 1.819 20 5 DDBDRO O=C(Cc1ccccc1[N+](=O)[O-])NCCNc1cc[nH+]cc1 ZINC000338071904 409696751 /nfs/dbraw/zinc/69/67/51/409696751.db2.gz VKOXSRNMPUJTEA-UHFFFAOYSA-N 1 0 300.318 1.183 20 5 DDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1F)N1CC[NH+]2CCC1CC2 ZINC000356985182 409770182 /nfs/dbraw/zinc/77/01/82/409770182.db2.gz SJILQNMNODCQDQ-UHFFFAOYSA-N 1 0 307.325 1.583 20 5 DDBDRO C[N@@H+]1CCC[C@@H]2CN(c3cccc(C(N)=O)c3[N+](=O)[O-])CC[C@H]21 ZINC000342706708 409831971 /nfs/dbraw/zinc/83/19/71/409831971.db2.gz ROVWMGGYPISMEF-DGCLKSJQSA-N 1 0 318.377 1.614 20 5 DDBDRO Cc1c(NC(=O)[C@@H](C)N2CCC[C@@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000346104235 409785291 /nfs/dbraw/zinc/78/52/91/409785291.db2.gz WFQAIZNYNRBTSV-VXGBXAGGSA-N 1 0 306.366 1.653 20 5 DDBDRO COC(=O)CC[C@H]([NH3+])C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000342665835 409799056 /nfs/dbraw/zinc/79/90/56/409799056.db2.gz YTXWEVHPDXIJDT-LBPRGKRZSA-N 1 0 323.349 1.227 20 5 DDBDRO C[C@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)[C@H]1CCOC1 ZINC000332169452 409944788 /nfs/dbraw/zinc/94/47/88/409944788.db2.gz VRDCMETYJMCMBY-SLEUVZQESA-N 1 0 319.361 1.715 20 5 DDBDRO COC(=O)[C@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)[C@@H]1C ZINC000346657681 410062121 /nfs/dbraw/zinc/06/21/21/410062121.db2.gz LHCKZTKLSZRNRQ-RISCZKNCSA-N 1 0 308.334 1.857 20 5 DDBDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000351753343 410211544 /nfs/dbraw/zinc/21/15/44/410211544.db2.gz FDSJLQOFXHIFOL-RKDXNWHRSA-N 1 0 303.322 1.280 20 5 DDBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC[N@H+](C)CC1 ZINC000298638736 410324987 /nfs/dbraw/zinc/32/49/87/410324987.db2.gz OWLFWOPRWHEZMV-LBPRGKRZSA-N 1 0 306.366 1.559 20 5 DDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000351865893 410305888 /nfs/dbraw/zinc/30/58/88/410305888.db2.gz POAKUUGHSFGIQQ-TUAOUCFPSA-N 1 0 306.366 1.591 20 5 DDBDRO NC(=O)c1cc([N+](=O)[O-])cnc1N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000298729439 410370245 /nfs/dbraw/zinc/37/02/45/410370245.db2.gz SEKVNJQCBGUXCF-RYUDHWBXSA-N 1 0 305.338 1.127 20 5 DDBDRO C[C@H]1CCC[N@H+](CCNC(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000298732263 410371718 /nfs/dbraw/zinc/37/17/18/410371718.db2.gz JRWRWOWOXPAROU-ZDUSSCGKSA-N 1 0 321.377 1.822 20 5 DDBDRO COc1ccc(CNC(=O)[C@@H]2CC[NH2+][C@H](C)C2)cc1[N+](=O)[O-] ZINC000358676696 410514724 /nfs/dbraw/zinc/51/47/24/410514724.db2.gz FEJWMQVXCGLVPD-ZYHUDNBSSA-N 1 0 307.350 1.608 20 5 DDBDRO CNC(=O)c1ccc(N2CC[C@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000301149357 410666995 /nfs/dbraw/zinc/66/69/95/410666995.db2.gz LTQOOMNRQOQRHE-ZDUSSCGKSA-N 1 0 318.377 1.629 20 5 DDBDRO NC(=O)c1cc([N+](=O)[O-])cnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000301062425 410647820 /nfs/dbraw/zinc/64/78/20/410647820.db2.gz BKLPJDFPMFFQTQ-LLVKDONJSA-N 1 0 319.365 1.153 20 5 DDBDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337299225 410698583 /nfs/dbraw/zinc/69/85/83/410698583.db2.gz MGDUOFBPHNPWIR-CHWSQXEVSA-N 1 0 320.393 1.948 20 5 DDBDRO C[C@@H]1CC[C@]2(CC[N@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)C1 ZINC000359555597 410727138 /nfs/dbraw/zinc/72/71/38/410727138.db2.gz KRSMRNGVPDYUGD-SNPRPXQTSA-N 1 0 308.382 1.664 20 5 DDBDRO CO[C@H]1C[C@@H](CN(C)C(=O)c2cc(C)cc([N+](=O)[O-])c2)[N@H+](C)C1 ZINC000330535695 410757171 /nfs/dbraw/zinc/75/71/71/410757171.db2.gz RZUQJUJHFXQGBS-GJZGRUSLSA-N 1 0 321.377 1.694 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)[C@@H]1C[NH+]2CCC1CC2 ZINC000347943964 410807055 /nfs/dbraw/zinc/80/70/55/410807055.db2.gz IXYKFBCDBQMZTD-CYBMUJFWSA-N 1 0 321.381 1.042 20 5 DDBDRO CCCN(CCn1ccc([N+](=O)[O-])n1)CC[NH+]1CCCCC1 ZINC000353146758 410812406 /nfs/dbraw/zinc/81/24/06/410812406.db2.gz NAGLCKUJRSGJNO-UHFFFAOYSA-N 1 0 309.414 1.989 20 5 DDBDRO COc1c(C(=O)N2CCC([NH+](C)C)CC2)cccc1[N+](=O)[O-] ZINC000331081961 410938087 /nfs/dbraw/zinc/93/80/87/410938087.db2.gz YASBJFLRPXDZQL-UHFFFAOYSA-N 1 0 307.350 1.770 20 5 DDBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000571519092 304467525 /nfs/dbraw/zinc/46/75/25/304467525.db2.gz AYTVTXRQKXSDAO-QWRGUYRKSA-N 1 0 306.366 1.788 20 5 DDBDRO COc1cccc(C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000331430505 411086412 /nfs/dbraw/zinc/08/64/12/411086412.db2.gz CDGQKCSYECETFG-MFKMUULPSA-N 1 0 319.361 1.816 20 5 DDBDRO O=C(COc1cccc([N+](=O)[O-])c1)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000129107161 196020033 /nfs/dbraw/zinc/02/00/33/196020033.db2.gz QYBVTIOOIXAUIO-FOSCPWQOSA-N 1 0 305.334 1.373 20 5 DDBDRO C[NH+]1CCN(CCCNC(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000131868685 196205820 /nfs/dbraw/zinc/20/58/20/196205820.db2.gz VOWKDJLSRJCXSH-UHFFFAOYSA-N 1 0 324.356 1.101 20 5 DDBDRO C[NH2+][C@H]1CCCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000133302523 196329546 /nfs/dbraw/zinc/32/95/46/196329546.db2.gz GMFXBTUCVGSJEO-ZDUSSCGKSA-N 1 0 318.377 1.993 20 5 DDBDRO C[NH2+][C@H]1CCCN(C(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000133755957 196333735 /nfs/dbraw/zinc/33/37/35/196333735.db2.gz CEZDGVFKNNRURY-LBPRGKRZSA-N 1 0 307.350 1.574 20 5 DDBDRO C[NH2+][C@@H]1CCN(S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)C1 ZINC000571581426 304472743 /nfs/dbraw/zinc/47/27/43/304472743.db2.gz DKQOHAIWATXWMG-LLVKDONJSA-N 1 0 313.379 1.194 20 5 DDBDRO CC[N@H+](CCNc1ncc([N+](=O)[O-])c(N)n1)CCC(F)(F)F ZINC000491869013 416633733 /nfs/dbraw/zinc/63/37/33/416633733.db2.gz LHRKIQIYWPFPOY-UHFFFAOYSA-N 1 0 322.291 1.075 20 5 DDBDRO CN(C(=O)NCCc1ccc([N+](=O)[O-])cc1)C1CC[NH2+]CC1 ZINC000417223379 225251308 /nfs/dbraw/zinc/25/13/08/225251308.db2.gz GNCRBZOGXRYVTE-UHFFFAOYSA-N 1 0 306.366 1.531 20 5 DDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000417773178 225434226 /nfs/dbraw/zinc/43/42/26/225434226.db2.gz WLUKYKZDEKWPBX-UONOGXRCSA-N 1 0 318.377 1.388 20 5 DDBDRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1CCOc1cccc([N+](=O)[O-])c1 ZINC000419331825 226120223 /nfs/dbraw/zinc/12/02/23/226120223.db2.gz RXEGQPRARFJCJK-KBPBESRZSA-N 1 0 323.393 1.361 20 5 DDBDRO CC[C@H]1CN(CCn2cc([N+](=O)[O-])cn2)C[C@]2(CCOC2)O1 ZINC000373805508 418461086 /nfs/dbraw/zinc/46/10/86/418461086.db2.gz ODQZJDFEPCJMAA-KBPBESRZSA-N 1 0 310.354 1.061 20 5 DDBDRO COC(=O)[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)C[C@H]1C ZINC000374019389 418484283 /nfs/dbraw/zinc/48/42/83/418484283.db2.gz SKOIFDPTAFQHBD-ZWNOBZJWSA-N 1 0 308.334 1.844 20 5 DDBDRO CCc1n[nH]c(C(=O)N(CC[NH+](C)C)C2CCCC2)c1[N+](=O)[O-] ZINC000192565391 222129483 /nfs/dbraw/zinc/12/94/83/222129483.db2.gz XYIRQHFMDWIRNC-UHFFFAOYSA-N 1 0 323.397 1.827 20 5 DDBDRO CCC[NH+]1CCC(CNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000193499092 222156552 /nfs/dbraw/zinc/15/65/52/222156552.db2.gz ZCZMEJFRKOTREN-UHFFFAOYSA-N 1 0 322.365 1.547 20 5 DDBDRO C[N@@H+]1CC[C@H]2CCN(c3ccc(C(N)=O)cc3[N+](=O)[O-])C[C@@H]21 ZINC000375052760 418596274 /nfs/dbraw/zinc/59/62/74/418596274.db2.gz ZLZVUUFUZYGOEC-HZMBPMFUSA-N 1 0 304.350 1.224 20 5 DDBDRO CC(C)[C@]1(CO)CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000368065798 418682650 /nfs/dbraw/zinc/68/26/50/418682650.db2.gz VDRULCUJLHOEKI-MRXNPFEDSA-N 1 0 321.377 1.874 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H]2C(=O)NC[C@@H]2C1 ZINC000368072064 418684267 /nfs/dbraw/zinc/68/42/67/418684267.db2.gz ODNKGJJCUICUSI-YPMHNXCESA-N 1 0 305.334 1.171 20 5 DDBDRO C[C@@H]1OCC[C@@H]1[N@H+](CCO)CCOc1ccccc1[N+](=O)[O-] ZINC000361586786 418687676 /nfs/dbraw/zinc/68/76/76/418687676.db2.gz UJOCKURRZLRCRE-STQMWFEESA-N 1 0 310.350 1.445 20 5 DDBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC000363503259 418766503 /nfs/dbraw/zinc/76/65/03/418766503.db2.gz BEDRIQKLVJNFEO-UKRRQHHQSA-N 1 0 320.393 2.211 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)n1 ZINC000371212641 418768367 /nfs/dbraw/zinc/76/83/67/418768367.db2.gz MDCIAERFIMMAFQ-AWEZNQCLSA-N 1 0 319.409 1.514 20 5 DDBDRO C[C@@H]1CC[NH2+][C@@H](C(=O)NCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000422939799 227272205 /nfs/dbraw/zinc/27/22/05/227272205.db2.gz RVDKKUXTYYBYPX-BXUZGUMPSA-N 1 0 306.366 1.511 20 5 DDBDRO O=C(COC1CC[NH2+]CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000422959453 227280415 /nfs/dbraw/zinc/28/04/15/227280415.db2.gz SAVUESGFVQYBAH-UHFFFAOYSA-N 1 0 305.334 1.253 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCCO[C@@H]2CCC[C@@H]21 ZINC000372352675 418860568 /nfs/dbraw/zinc/86/05/68/418860568.db2.gz ZYEKAFWAMKQYQB-UONOGXRCSA-N 1 0 307.350 1.400 20 5 DDBDRO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000372871599 418911154 /nfs/dbraw/zinc/91/11/54/418911154.db2.gz QSCUGXZZQZQJPX-TVQRCGJNSA-N 1 0 315.333 1.295 20 5 DDBDRO O=C(CNc1ccccc1[N+](=O)[O-])N1CCC2(CC[NH2+]2)CC1 ZINC000424053994 228223362 /nfs/dbraw/zinc/22/33/62/228223362.db2.gz PRIZNCNMFXBECC-UHFFFAOYSA-N 1 0 304.350 1.361 20 5 DDBDRO C[C@@H]1C[C@@H](C)N(C(=O)c2cccc([N+](=O)[O-])c2N)C[C@@H]1C[NH3+] ZINC000424083184 228225976 /nfs/dbraw/zinc/22/59/76/228225976.db2.gz YAAKJKCDBQHFPV-MXWKQRLJSA-N 1 0 306.366 1.622 20 5 DDBDRO COC(=O)[C@@H]1CN([C@@H](C)c2ccccc2[N+](=O)[O-])CC[N@H+](C)C1 ZINC000411912326 419477971 /nfs/dbraw/zinc/47/79/71/419477971.db2.gz VGKZXMDOVOWJLI-STQMWFEESA-N 1 0 321.377 1.692 20 5 DDBDRO Cc1c(CNC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cccc1[N+](=O)[O-] ZINC000418084763 419521412 /nfs/dbraw/zinc/52/14/12/419521412.db2.gz WFPZRSOMYZRHRQ-OKILXGFUSA-N 1 0 318.377 1.939 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@H](C)C[C@H](O)C1 ZINC000412031839 419574138 /nfs/dbraw/zinc/57/41/38/419574138.db2.gz GVJCZNSNDVTOCR-RISCZKNCSA-N 1 0 321.377 1.935 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000428031844 419793641 /nfs/dbraw/zinc/79/36/41/419793641.db2.gz IECGWHTZDLMULN-SWLSCSKDSA-N 1 0 318.377 1.526 20 5 DDBDRO COC[C@]1(CNC/C=C\c2ccccc2[N+](=O)[O-])CCC[NH2+]1 ZINC000414945942 419887385 /nfs/dbraw/zinc/88/73/85/419887385.db2.gz RORGJJMGLKWGMW-HQQUCIOCSA-N 1 0 305.378 1.966 20 5 DDBDRO Cc1cc(OCC(=O)NCC2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000431951616 229070045 /nfs/dbraw/zinc/07/00/45/229070045.db2.gz OJBMXZUREDWEOT-UHFFFAOYSA-N 1 0 321.377 1.740 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H]1CCCC(=O)N1 ZINC000433199775 229173073 /nfs/dbraw/zinc/17/30/73/229173073.db2.gz FBCGELZESQCFJL-GFCCVEGCSA-N 1 0 307.350 1.752 20 5 DDBDRO COc1ccc(NC(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000415437532 420066939 /nfs/dbraw/zinc/06/69/39/420066939.db2.gz KRYPLOAHAIAJOD-NXEZZACHSA-N 1 0 308.338 1.804 20 5 DDBDRO C[C@H]1[C@H]([NH3+])CCN1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000423653056 420114412 /nfs/dbraw/zinc/11/44/12/420114412.db2.gz YMPSBCRHFZMONJ-CMPLNLGQSA-N 1 0 315.333 1.342 20 5 DDBDRO O=[N+]([O-])c1ccc(-c2noc(NC[C@@H]3CCC[NH2+]C3)n2)cc1 ZINC000420168689 420140394 /nfs/dbraw/zinc/14/03/94/420140394.db2.gz LHYYZIVZQAFGNS-SNVBAGLBSA-N 1 0 303.322 2.056 20 5 DDBDRO COc1ccc(NC(=O)NCC(F)(F)CN)cc1[N+](=O)[O-] ZINC000415453124 420073005 /nfs/dbraw/zinc/07/30/05/420073005.db2.gz YVVMBDKUKFVXSJ-UHFFFAOYSA-N 1 0 304.253 1.319 20 5 DDBDRO COC(=O)c1cc(C(=O)NCC2=CC[NH2+]CC2)cc([N+](=O)[O-])c1 ZINC000423565658 420082808 /nfs/dbraw/zinc/08/28/08/420082808.db2.gz YSVLDMHEFGCRCG-UHFFFAOYSA-N 1 0 319.317 1.031 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000415491782 420088331 /nfs/dbraw/zinc/08/83/31/420088331.db2.gz BJQBBIHEMGKFKA-NSHDSACASA-N 1 0 324.337 1.185 20 5 DDBDRO CCC[C@H]1C[NH2+]CCN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000420308701 420195899 /nfs/dbraw/zinc/19/58/99/420195899.db2.gz NWWKLTRLBDYFCK-HNNXBMFYSA-N 1 0 320.393 1.997 20 5 DDBDRO CN(CC[NH3+])C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000415701806 420150715 /nfs/dbraw/zinc/15/07/15/420150715.db2.gz OVYORNSKMWXHNL-UHFFFAOYSA-N 1 0 317.143 1.780 20 5 DDBDRO CN(CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CC[NH2+]CC1 ZINC000430592488 420151888 /nfs/dbraw/zinc/15/18/88/420151888.db2.gz MUQFLPPKLQXNIQ-UHFFFAOYSA-N 1 0 318.377 1.168 20 5 DDBDRO COC(=O)c1cc(C)nc(N[C@@H]2CCC[C@@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000420234875 420162826 /nfs/dbraw/zinc/16/28/26/420162826.db2.gz HUKKQVWPZRGHBC-NXEZZACHSA-N 1 0 308.338 1.767 20 5 DDBDRO C[NH2+]CC1CCN(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000430966113 420226330 /nfs/dbraw/zinc/22/63/30/420226330.db2.gz MMCJNQLSIMWDLK-UHFFFAOYSA-N 1 0 320.393 1.773 20 5 DDBDRO C[C@@H]1CN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@H](C)C[NH2+]1 ZINC000420382856 420249964 /nfs/dbraw/zinc/24/99/64/420249964.db2.gz DIRKWWRCZYYHCG-VXGBXAGGSA-N 1 0 306.366 1.240 20 5 DDBDRO CC(C)c1ccc(C[NH2+][C@@H]2CCC(=O)N(C)C2=O)cc1[N+](=O)[O-] ZINC000424202695 420312992 /nfs/dbraw/zinc/31/29/92/420312992.db2.gz JMKMCKYMLGQHHY-CYBMUJFWSA-N 1 0 319.361 1.955 20 5 DDBDRO C[NH+](C)C1(CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000416302814 420317385 /nfs/dbraw/zinc/31/73/85/420317385.db2.gz PPOUGNHPTFRZRX-UHFFFAOYSA-N 1 0 302.334 1.900 20 5 DDBDRO Cc1ccc(NCCCNC(=O)N[C@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000417708816 420456726 /nfs/dbraw/zinc/45/67/26/420456726.db2.gz AIWNFYYMDIQAEO-LBPRGKRZSA-N 1 0 321.381 1.366 20 5 DDBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCC[NH2+]1 ZINC000417710365 420458073 /nfs/dbraw/zinc/45/80/73/420458073.db2.gz CBLBDOLDEZAROO-CQSZACIVSA-N 1 0 320.393 1.969 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)n1 ZINC000450865649 420547444 /nfs/dbraw/zinc/54/74/44/420547444.db2.gz SJMYVXLANPDAQL-MRVWCRGKSA-N 1 0 306.366 1.729 20 5 DDBDRO Cc1cc([C@@H]2CCC[N@@H+]2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)on1 ZINC000441241729 420642215 /nfs/dbraw/zinc/64/22/15/420642215.db2.gz YZVOIEBLZPHMMN-OLZOCXBDSA-N 1 0 321.337 1.286 20 5 DDBDRO C[N@@H+]1CCC[C@@H](CCNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000458159285 420642715 /nfs/dbraw/zinc/64/27/15/420642715.db2.gz DYMGIJVYVKDUTJ-LBPRGKRZSA-N 1 0 323.397 1.375 20 5 DDBDRO CO[C@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000441265299 420643135 /nfs/dbraw/zinc/64/31/35/420643135.db2.gz GUAZGTIKSYVVMT-IPYPFGDCSA-N 1 0 324.377 1.882 20 5 DDBDRO C[C@H](C[NH3+])CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000441626093 420658166 /nfs/dbraw/zinc/65/81/66/420658166.db2.gz GWNDAFQAAOTDNF-CYBMUJFWSA-N 1 0 323.396 1.866 20 5 DDBDRO COc1cc(C[NH2+]C[C@]2(C)CCC(=O)N2)c([N+](=O)[O-])cc1O ZINC000453589467 420733201 /nfs/dbraw/zinc/73/32/01/420733201.db2.gz MXOIWSIHBUQSHK-AWEZNQCLSA-N 1 0 309.322 1.067 20 5 DDBDRO CCC[NH2+][C@@H](C)C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000449122867 420955291 /nfs/dbraw/zinc/95/52/91/420955291.db2.gz AQGQUGIRWBOITN-RYUDHWBXSA-N 1 0 321.381 1.391 20 5 DDBDRO CNc1nc(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000454790634 420925017 /nfs/dbraw/zinc/92/50/17/420925017.db2.gz CSQSASTUJPHKQR-WDEREUQCSA-N 1 0 319.365 1.388 20 5 DDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)COC1CCC([NH3+])CC1 ZINC000449090429 420946702 /nfs/dbraw/zinc/94/67/02/420946702.db2.gz MVXOASULDJIQKR-UHFFFAOYSA-N 1 0 321.377 1.840 20 5 DDBDRO O=C(CNc1ccccc1[N+](=O)[O-])N[C@H]1C[NH2+]CCC1(F)F ZINC000449660861 421050636 /nfs/dbraw/zinc/05/06/36/421050636.db2.gz HGHJWQYOMSDYFW-NSHDSACASA-N 1 0 314.292 1.120 20 5 DDBDRO CCOc1ccc(C(=O)N[C@H](CC[NH3+])C(F)F)cc1[N+](=O)[O-] ZINC000449611995 421038364 /nfs/dbraw/zinc/03/83/64/421038364.db2.gz JAQWKLCSMIBYTA-SECBINFHSA-N 1 0 317.292 1.706 20 5 DDBDRO C[C@@H]1C[C@@H]1C[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000488414973 421089054 /nfs/dbraw/zinc/08/90/54/421089054.db2.gz GCWMTSBBMIQQMS-GHMZBOCLSA-N 1 0 313.379 1.119 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H](C)C[NH+](C)C ZINC000490047751 421187048 /nfs/dbraw/zinc/18/70/48/421187048.db2.gz KFYNKHPPNHZJHE-JTQLQIEISA-N 1 0 315.395 1.379 20 5 DDBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC000560975080 421301513 /nfs/dbraw/zinc/30/15/13/421301513.db2.gz HLYCAGVNMRDIJF-UTUOFQBUSA-N 1 0 321.381 1.795 20 5 DDBDRO CC(C)OCCC[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000524156853 421254368 /nfs/dbraw/zinc/25/43/68/421254368.db2.gz NALCNKYIMOMNBQ-UHFFFAOYSA-N 1 0 308.382 1.927 20 5 DDBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C(CO)CO)s2)cc1 ZINC000561512300 421327980 /nfs/dbraw/zinc/32/79/80/421327980.db2.gz HCBCUYQNTSJROP-UHFFFAOYSA-N 1 0 308.359 1.766 20 5 DDBDRO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cn2)CC[N@@H+](C2CCC2)C1 ZINC000561527860 421328142 /nfs/dbraw/zinc/32/81/42/421328142.db2.gz WEOSVLOZWMELPQ-LBPRGKRZSA-N 1 0 318.377 1.936 20 5 DDBDRO CC[C@H]1C[N@H+](C)CCN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000514649903 421443337 /nfs/dbraw/zinc/44/33/37/421443337.db2.gz OCLZXUWIPLSZRH-UONOGXRCSA-N 1 0 323.393 1.361 20 5 DDBDRO CC[C@@H]([NH3+])C(=O)NCCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000563036968 421444778 /nfs/dbraw/zinc/44/47/78/421444778.db2.gz RZAHGSXIMQQIOA-SNVBAGLBSA-N 1 0 311.338 1.008 20 5 DDBDRO CNc1nccc(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000568899521 421623703 /nfs/dbraw/zinc/62/37/03/421623703.db2.gz QUIUJRSVUVITEY-SNVBAGLBSA-N 1 0 323.397 1.738 20 5 DDBDRO CC(C)Oc1nc(N2CCC([NH2+]CCO)CC2)ccc1[N+](=O)[O-] ZINC000571178770 421694950 /nfs/dbraw/zinc/69/49/50/421694950.db2.gz OZEJQVCGEBNHNM-UHFFFAOYSA-N 1 0 324.381 1.328 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1N1CC[C@H](N3CC[NH2+]CC3)C1)CCN2 ZINC000571779790 421744383 /nfs/dbraw/zinc/74/43/83/421744383.db2.gz STBIEFVCILFWNX-LBPRGKRZSA-N 1 0 317.393 1.047 20 5 DDBDRO CN1C[C@H]([N@H+](C)CCOc2cccc([N+](=O)[O-])c2)CCC1=O ZINC000520952790 421767626 /nfs/dbraw/zinc/76/76/26/421767626.db2.gz HEWWGDFZYNKUHK-CYBMUJFWSA-N 1 0 307.350 1.526 20 5 DDBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000572313319 421776054 /nfs/dbraw/zinc/77/60/54/421776054.db2.gz KYOSWOWNWSYEAH-HNNXBMFYSA-N 1 0 319.361 1.717 20 5 DDBDRO CC(C)n1cc([C@H](C)[NH2+]CCn2cc([N+](=O)[O-])ccc2=O)cn1 ZINC000544469846 421845091 /nfs/dbraw/zinc/84/50/91/421845091.db2.gz XUHABNRVGIRTQP-LBPRGKRZSA-N 1 0 319.365 1.885 20 5 DDBDRO C[C@@H](c1ccccc1)[C@H](O)C[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000574912020 422213474 /nfs/dbraw/zinc/21/34/74/422213474.db2.gz MIOLFICQGGIFCV-SWLSCSKDSA-N 1 0 304.350 1.546 20 5 DDBDRO Nc1nccc(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000594418491 422348555 /nfs/dbraw/zinc/34/85/55/422348555.db2.gz JMOKFPHYETVWSR-NEPJUHHUSA-N 1 0 319.365 1.319 20 5 DDBDRO CC[C@@H](C[NH+]1CCCC1)Nc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000611241033 422475877 /nfs/dbraw/zinc/47/58/77/422475877.db2.gz HMJQHYKWDJGFBE-NSHDSACASA-N 1 0 304.354 1.924 20 5 DDBDRO C[C@H]1CN(CCNc2ncnc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000611711470 422479506 /nfs/dbraw/zinc/47/95/06/422479506.db2.gz VHFGROGSSMGHNY-NSHDSACASA-N 1 0 317.349 1.671 20 5 DDBDRO CN(CC[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000578759221 422640127 /nfs/dbraw/zinc/64/01/27/422640127.db2.gz YENMQKZKVVJZBM-ZDUSSCGKSA-N 1 0 309.366 1.018 20 5 DDBDRO CO[C@@H]1CCN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000322012053 271027276 /nfs/dbraw/zinc/02/72/76/271027276.db2.gz BCCUSTMEFRYXFR-RWCKICOTSA-N 1 0 319.361 1.573 20 5 DDBDRO CC[NH+](CC)[C@@H]1CCN(c2cccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000342293625 271368498 /nfs/dbraw/zinc/36/84/98/271368498.db2.gz LZKYGYVLJUEZQS-LLVKDONJSA-N 1 0 306.366 1.614 20 5 DDBDRO CSCC[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)N(C)C ZINC000342294590 271369227 /nfs/dbraw/zinc/36/92/27/271369227.db2.gz QJKPMNPPCFZNRR-CYBMUJFWSA-N 1 0 311.407 1.894 20 5 DDBDRO COC(=O)c1cc(C)nc(N[C@@H]2CC[N@H+](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000342365433 271391445 /nfs/dbraw/zinc/39/14/45/271391445.db2.gz VYYKYQXPAUYICL-GHMZBOCLSA-N 1 0 322.365 1.979 20 5 DDBDRO C[NH+](C)C1CN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000134993272 273792534 /nfs/dbraw/zinc/79/25/34/273792534.db2.gz XQPCNUZXAKEPPH-UHFFFAOYSA-N 1 0 315.333 1.167 20 5 DDBDRO CC[NH+]1CCN([C@H]2CCN(c3c(F)cccc3[N+](=O)[O-])C2)CC1 ZINC000287378991 276201939 /nfs/dbraw/zinc/20/19/39/276201939.db2.gz OMBLFIVBCUZQAM-ZDUSSCGKSA-N 1 0 322.384 1.950 20 5 DDBDRO CC(C)(CCC[NH3+])NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000313126027 277296050 /nfs/dbraw/zinc/29/60/50/277296050.db2.gz CVWCRDDVLLVTQW-UHFFFAOYSA-N 1 0 301.368 1.391 20 5 DDBDRO C[C@@H]([NH3+])C[C@H](C)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000423038573 278309563 /nfs/dbraw/zinc/30/95/63/278309563.db2.gz OMGSLKVDBCJGQN-MNOVXSKESA-N 1 0 315.395 1.084 20 5 DDBDRO C[C@H]1CN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000261728030 278438843 /nfs/dbraw/zinc/43/88/43/278438843.db2.gz QUOFNNJFRHRULL-WCBMZHEXSA-N 1 0 317.342 1.092 20 5 DDBDRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000237875418 279635844 /nfs/dbraw/zinc/63/58/44/279635844.db2.gz LJUVQDJNHQLKMW-RYUDHWBXSA-N 1 0 306.366 1.640 20 5 DDBDRO CCS(=O)(=O)NCC[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449105588 280026339 /nfs/dbraw/zinc/02/63/39/280026339.db2.gz ZBTWTBNZXWKJQH-NSHDSACASA-N 1 0 315.395 1.055 20 5 DDBDRO Cc1cc(C)c(S(=O)(=O)N(C)[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000193269263 280395207 /nfs/dbraw/zinc/39/52/07/280395207.db2.gz CRJGLLRNPATXOU-LLVKDONJSA-N 1 0 313.379 1.194 20 5 DDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)CC[NH+]1CCCC1 ZINC000089898164 281027036 /nfs/dbraw/zinc/02/70/36/281027036.db2.gz PEZPFUXKDPJKAG-CYBMUJFWSA-N 1 0 320.393 1.949 20 5 DDBDRO C[C@H](NC(=O)NCCOCC[NH+](C)C)c1ccccc1[N+](=O)[O-] ZINC000471641772 289867534 /nfs/dbraw/zinc/86/75/34/289867534.db2.gz GHQVYRJEDFCMPI-LBPRGKRZSA-N 1 0 324.381 1.533 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)c1 ZINC000284896879 295254482 /nfs/dbraw/zinc/25/44/82/295254482.db2.gz HHRAINCVHLNRLZ-CABCVRRESA-N 1 0 307.350 1.513 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](OC)C[C@@H]1C[NH3+] ZINC000572833899 304558816 /nfs/dbraw/zinc/55/88/16/304558816.db2.gz QLQQEKIMSQQLPW-NEPJUHHUSA-N 1 0 323.349 1.182 20 5 DDBDRO C[NH+]1CCC(CCO)(NC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000354145045 298353483 /nfs/dbraw/zinc/35/34/83/298353483.db2.gz YBACJFFWZWMKID-UHFFFAOYSA-N 1 0 307.350 1.171 20 5 DDBDRO Cn1nc([N+](=O)[O-])cc1C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000356464247 298798505 /nfs/dbraw/zinc/79/85/05/298798505.db2.gz JENZPTJLFPXAGJ-LBPRGKRZSA-N 1 0 321.381 1.419 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](CO)C(C)C ZINC000362190324 300025554 /nfs/dbraw/zinc/02/55/54/300025554.db2.gz LURNZQDCYNNKNE-LBPRGKRZSA-N 1 0 311.338 1.148 20 5 DDBDRO COCCO[C@@H]1COCC[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000362515667 300084062 /nfs/dbraw/zinc/08/40/62/300084062.db2.gz ITONMCAIUZJNHW-HUUCEWRRSA-N 1 0 310.350 1.505 20 5 DDBDRO Cc1cc(C(=O)N2[C@@H]3CC[C@H]2C[C@H]([NH3+])C3)c(N)c([N+](=O)[O-])c1 ZINC000364186735 300354761 /nfs/dbraw/zinc/35/47/61/300354761.db2.gz ZSCDICQUFXAILV-RTCCRHLQSA-N 1 0 304.350 1.580 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CC[C@@H]([NH+]3CC=CC3)C2)c2nonc21 ZINC000364296467 300371289 /nfs/dbraw/zinc/37/12/89/300371289.db2.gz CLFIVMXLFCAEQO-SNVBAGLBSA-N 1 0 301.306 1.582 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000368383656 301015694 /nfs/dbraw/zinc/01/56/94/301015694.db2.gz FNUHWWGHBKBUPY-CYBMUJFWSA-N 1 0 305.334 1.475 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(N)c([N+](=O)[O-])c3)C[C@H]21 ZINC000368596591 301061186 /nfs/dbraw/zinc/06/11/86/301061186.db2.gz VMBVMCJIFIDKHT-QMTHXVAHSA-N 1 0 304.350 1.343 20 5 DDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCc3c[nH]nc3C2)c([N+](=O)[O-])c1 ZINC000369326963 301165173 /nfs/dbraw/zinc/16/51/73/301165173.db2.gz MWAVGBSZASRDSF-LLVKDONJSA-N 1 0 317.305 1.873 20 5 DDBDRO O=C1CCCCN1[C@@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000370002407 301256051 /nfs/dbraw/zinc/25/60/51/301256051.db2.gz OBBIOAJAFDWGJA-CYBMUJFWSA-N 1 0 321.381 1.268 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@@H](c3ccncn3)C2)c1 ZINC000370002078 301256154 /nfs/dbraw/zinc/25/61/54/301256154.db2.gz MNOPGTLXBIGEPM-GFCCVEGCSA-N 1 0 302.338 1.461 20 5 DDBDRO Cc1cc([C@@H]2CCCN(Cc3c([N+](=O)[O-])ncn3C)C2)n[nH]1 ZINC000370044644 301264385 /nfs/dbraw/zinc/26/43/85/301264385.db2.gz FYPOOOUBARLADY-LLVKDONJSA-N 1 0 304.354 1.739 20 5 DDBDRO O=[N+]([O-])c1ccc(OCC[NH2+]C[C@H](O)CC(F)(F)F)cc1 ZINC000575796543 304733394 /nfs/dbraw/zinc/73/33/94/304733394.db2.gz DBOOIUGJWYDPFZ-SNVBAGLBSA-N 1 0 308.256 1.877 20 5 DDBDRO CCOC(=O)[C@@]1(C(C)C)CC[N@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000370525360 301357087 /nfs/dbraw/zinc/35/70/87/301357087.db2.gz FJDNTQXYOGQUIU-HNNXBMFYSA-N 1 0 324.381 1.740 20 5 DDBDRO CC(C)[N@@H+]1CCO[C@@H](C(=O)N(C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000370534660 301358927 /nfs/dbraw/zinc/35/89/27/301358927.db2.gz GJOWKVSBXJJYHL-OAHLLOKOSA-N 1 0 321.377 1.662 20 5 DDBDRO O=C(CCn1cc([N+](=O)[O-])cn1)N1CCC[C@@H]2C[NH2+]CCC[C@H]21 ZINC000373558332 301706898 /nfs/dbraw/zinc/70/68/98/301706898.db2.gz ABPYKVYHJQIKCM-TZMCWYRMSA-N 1 0 321.381 1.172 20 5 DDBDRO O=C1CC[C@@H]([NH2+]CCOc2cccc([N+](=O)[O-])c2)[C@H](C2CC2)N1 ZINC000375341622 301928092 /nfs/dbraw/zinc/92/80/92/301928092.db2.gz MMNPJZPVUPBEOC-ZBFHGGJFSA-N 1 0 319.361 1.620 20 5 DDBDRO CCN1C(=O)[C@@H]2CN(Cc3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000375860390 302006123 /nfs/dbraw/zinc/00/61/23/302006123.db2.gz MWXABWVHXUISQU-ZDUSSCGKSA-N 1 0 318.333 1.063 20 5 DDBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000376408521 302074783 /nfs/dbraw/zinc/07/47/83/302074783.db2.gz OOKQAIKSTXJTIW-GXFFZTMASA-N 1 0 319.365 1.271 20 5 DDBDRO O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1CCC(c2c[nH]cn2)CC1 ZINC000378072663 302274785 /nfs/dbraw/zinc/27/47/85/302274785.db2.gz DAONHOLETDAJEZ-UHFFFAOYSA-N 1 0 317.305 1.438 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CCc2[nH]cnc2C1 ZINC000378203176 302292874 /nfs/dbraw/zinc/29/28/74/302292874.db2.gz RQXVKIVJJWPSNM-SNVBAGLBSA-N 1 0 300.318 1.914 20 5 DDBDRO C[NH2+]C[C@@H](C)CNS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000420442850 302384576 /nfs/dbraw/zinc/38/45/76/302384576.db2.gz FHEGNYPVAVIZDY-SNVBAGLBSA-N 1 0 315.395 1.345 20 5 DDBDRO Cc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000516141676 302784200 /nfs/dbraw/zinc/78/42/00/302784200.db2.gz GZUNPSDLAMURNI-HOCLYGCPSA-N 1 0 316.361 1.738 20 5 DDBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357084255 306870744 /nfs/dbraw/zinc/87/07/44/306870744.db2.gz PJYYSRREIUIODR-JHJVBQTASA-N 1 0 318.377 1.463 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H]1CN(C)CCN1C ZINC000531970542 303268288 /nfs/dbraw/zinc/26/82/88/303268288.db2.gz CRTUHCUNKJGXHM-ZFWWWQNUSA-N 1 0 306.410 1.800 20 5 DDBDRO COc1ccc(CC(=O)N(CC[NH+](C)C)C(C)C)cc1[N+](=O)[O-] ZINC000533046073 303306228 /nfs/dbraw/zinc/30/62/28/303306228.db2.gz GPMCQVMASRIQIA-UHFFFAOYSA-N 1 0 323.393 1.945 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@@H]2CCCCO2)c1 ZINC000560859187 303826875 /nfs/dbraw/zinc/82/68/75/303826875.db2.gz ULZCLFHGZZRMMZ-HIFRSBDPSA-N 1 0 310.350 1.493 20 5 DDBDRO O=C1NCCC[C@@H]1[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000362374466 307019410 /nfs/dbraw/zinc/01/94/10/307019410.db2.gz BKPCYTJHWNQHKG-HNNXBMFYSA-N 1 0 319.361 1.717 20 5 DDBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000365357351 307065963 /nfs/dbraw/zinc/06/59/63/307065963.db2.gz NATMPWLLBDMTLC-ZFWWWQNUSA-N 1 0 303.362 1.738 20 5 DDBDRO O=C(CNc1ccccc1[N+](=O)[O-])N[C@@H]1CC12CC[NH2+]CC2 ZINC000366595530 307077358 /nfs/dbraw/zinc/07/73/58/307077358.db2.gz LMQZPXWXLMLLMC-CYBMUJFWSA-N 1 0 304.350 1.265 20 5 DDBDRO CCOc1cc(C[N@@H+]2CC[C@@H](CC(N)=O)C2)ccc1[N+](=O)[O-] ZINC000368572165 307105629 /nfs/dbraw/zinc/10/56/29/307105629.db2.gz GFKZPIUPSHKIQD-LBPRGKRZSA-N 1 0 307.350 1.691 20 5 DDBDRO CCCCNC(=O)[C@H](C)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000369693453 307127031 /nfs/dbraw/zinc/12/70/31/307127031.db2.gz SAXBXEOTHBOTNZ-LBPRGKRZSA-N 1 0 323.397 1.733 20 5 DDBDRO CCCc1n[nH]c(C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000370887022 307138993 /nfs/dbraw/zinc/13/89/93/307138993.db2.gz SFTIZXPHFQAKTE-NSHDSACASA-N 1 0 321.381 1.581 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@@H]2CCCC[C@H]2N2CCOCC2)n1 ZINC000373115931 307179329 /nfs/dbraw/zinc/17/93/29/307179329.db2.gz PQROPSKTTCWIIV-ZIAGYGMSSA-N 1 0 323.397 1.024 20 5 DDBDRO CC(C)[C@@H](C)NC(=O)CN1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000373587709 307190817 /nfs/dbraw/zinc/19/08/17/307190817.db2.gz YNTGQCUXBOJRLX-CHWSQXEVSA-N 1 0 323.397 1.589 20 5 DDBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1cccc([N+](=O)[O-])c1N ZINC000376448424 307244183 /nfs/dbraw/zinc/24/41/83/307244183.db2.gz MUSKBWKDLBWMHO-YPMHNXCESA-N 1 0 318.377 1.876 20 5 DDBDRO [NH3+]C[C@H]1CCCN(C(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000557169186 307865929 /nfs/dbraw/zinc/86/59/29/307865929.db2.gz JDJSOPHEIULEHQ-GFCCVEGCSA-N 1 0 306.366 1.518 20 5 DDBDRO [NH3+]C[C@@H]1CCCN(C(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000557169189 307866080 /nfs/dbraw/zinc/86/60/80/307866080.db2.gz JDJSOPHEIULEHQ-LBPRGKRZSA-N 1 0 306.366 1.518 20 5 DDBDRO CNc1ccc(C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1[N+](=O)[O-] ZINC000563089210 307954729 /nfs/dbraw/zinc/95/47/29/307954729.db2.gz YGSAKPXBEBOEBM-RYUDHWBXSA-N 1 0 304.350 1.461 20 5 DDBDRO COC(=O)c1cnc(NC[C@H]2CC[N@@H+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000564766620 308005229 /nfs/dbraw/zinc/00/52/29/308005229.db2.gz GINVPWVZQHIYSU-LLVKDONJSA-N 1 0 322.365 1.919 20 5 DDBDRO CC[C@@H](C)[C@H](O)C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000564977016 308015261 /nfs/dbraw/zinc/01/52/61/308015261.db2.gz VUOHYFKMJRQNJY-BXUZGUMPSA-N 1 0 309.366 1.920 20 5 DDBDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000567667245 308088628 /nfs/dbraw/zinc/08/86/28/308088628.db2.gz UAMJKPXVHMBPAU-PSASIEDQSA-N 1 0 307.306 1.051 20 5 DDBDRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000567667455 308088796 /nfs/dbraw/zinc/08/87/96/308088796.db2.gz LWHDKIQYGYDOLR-SKDRFNHKSA-N 1 0 321.333 1.094 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(OCC[NH3+])cc2)n1 ZINC000568076582 308106022 /nfs/dbraw/zinc/10/60/22/308106022.db2.gz WGLNXMCMUPXWNY-UHFFFAOYSA-N 1 0 319.321 1.401 20 5 DDBDRO Cc1cc(=O)n(C[C@@H](C[NH3+])c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000570159996 308160368 /nfs/dbraw/zinc/16/03/68/308160368.db2.gz STIXAWHEHCMRQM-GFCCVEGCSA-N 1 0 305.309 1.947 20 5 DDBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)C[NH+](C)C ZINC000572107124 308211046 /nfs/dbraw/zinc/21/10/46/308211046.db2.gz QOIVGRRIYAEDCH-SNVBAGLBSA-N 1 0 323.349 1.294 20 5 DDBDRO COc1ccc(CNC(=O)N[C@H](C)C[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000576872357 308345872 /nfs/dbraw/zinc/34/58/72/308345872.db2.gz ZOCHBJTYTLTYLI-VHSXEESVSA-N 1 0 310.354 1.528 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000577721618 308409309 /nfs/dbraw/zinc/40/93/09/308409309.db2.gz VSCQZTXEYUUGEJ-ISTVAULSSA-N 1 0 307.350 1.720 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000382445588 325745248 /nfs/dbraw/zinc/74/52/48/325745248.db2.gz ALBPEBAGNFJNFR-QWRGUYRKSA-N 1 0 313.379 1.309 20 5 DDBDRO CS(=O)(=O)c1cccc(N[C@@H](CC[NH3+])C(F)F)c1[N+](=O)[O-] ZINC000383485315 325749358 /nfs/dbraw/zinc/74/93/58/325749358.db2.gz VOORGVDXPNCJGY-QMMMGPOBSA-N 1 0 323.321 1.393 20 5 DDBDRO C[C@H](C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)N(C)C1CC1 ZINC000581809522 325916102 /nfs/dbraw/zinc/91/61/02/325916102.db2.gz MIRCCKBIZRWSJD-IUODEOHRSA-N 1 0 323.393 1.407 20 5 DDBDRO CCc1ccc(S(=O)(=O)NC[C@@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000584290965 332219963 /nfs/dbraw/zinc/21/99/63/332219963.db2.gz RJLZRNXUSJDSMR-VIFPVBQESA-N 1 0 301.368 1.030 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]Cc2cc3ccccc3o2)c1 ZINC000583256195 337290350 /nfs/dbraw/zinc/29/03/50/337290350.db2.gz ANAQEJUYKGGSGQ-CYBMUJFWSA-N 1 0 316.317 1.688 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@@]2(C)CC[NH2+]C2)c1C ZINC000230735288 484169119 /nfs/dbraw/zinc/16/91/19/484169119.db2.gz AONTVEHTSKCMNW-ZDUSSCGKSA-N 1 0 313.379 1.242 20 5 DDBDRO CSC1(CNc2ccc([N+](=O)[O-])c(C)n2)CC[NH+](C)CC1 ZINC000357546405 484509709 /nfs/dbraw/zinc/50/97/09/484509709.db2.gz IVTIXCQQTQWFDW-UHFFFAOYSA-N 1 0 310.423 2.538 20 5 DDBDRO C[C@@H]([NH2+]CCN1C(=O)CN(C)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000595413585 500887758 /nfs/dbraw/zinc/88/77/58/500887758.db2.gz CNPAJNMELLCXBI-SNVBAGLBSA-N 1 0 306.322 1.139 20 5 DDBDRO COC(=O)c1cc(C(=O)NCC[C@H]2CC[NH2+]C2)cc([N+](=O)[O-])c1 ZINC000422812646 533733999 /nfs/dbraw/zinc/73/39/99/533733999.db2.gz YBLMJTGPYQTYRH-SNVBAGLBSA-N 1 0 321.333 1.111 20 5 DDBDRO COc1cc(C[N@H+](C)[C@@H](CO)COC(C)C)ccc1[N+](=O)[O-] ZINC000433162283 533790238 /nfs/dbraw/zinc/79/02/38/533790238.db2.gz UEBRZSPUVKBCRH-ZDUSSCGKSA-N 1 0 312.366 1.821 20 5 DDBDRO C[C@H]([NH2+]CCN1C(=O)N[C@@H](C)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000459481245 533858033 /nfs/dbraw/zinc/85/80/33/533858033.db2.gz APDKVXYWDNWQSC-UWVGGRQHSA-N 1 0 306.322 1.186 20 5 DDBDRO Cc1cc(NC(=O)C(=O)NC[C@H]2CCC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000298156607 533934861 /nfs/dbraw/zinc/93/48/61/533934861.db2.gz PGDMFRSEKBFBIG-GFCCVEGCSA-N 1 0 320.349 1.052 20 5 DDBDRO C[C@@H]1CN(C(=O)COc2cccc([N+](=O)[O-])c2)C[C@@]1(C)C[NH3+] ZINC000423981167 534306075 /nfs/dbraw/zinc/30/60/75/534306075.db2.gz FYFWHWGWBXKUKA-IAQYHMDHSA-N 1 0 307.350 1.417 20 5 DDBDRO COC(=O)c1cnc(NCC[C@@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC000413439419 534306903 /nfs/dbraw/zinc/30/69/03/534306903.db2.gz NOCSLFPLRKFDGF-NSHDSACASA-N 1 0 322.365 1.920 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CNC(C)(C)C[NH+](C)C ZINC000459542537 534340086 /nfs/dbraw/zinc/34/00/86/534340086.db2.gz AFALGRUMNONISA-UHFFFAOYSA-N 1 0 308.382 1.772 20 5 DDBDRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000301958722 534426061 /nfs/dbraw/zinc/42/60/61/534426061.db2.gz LQJSMYGJTCKFMK-HNNXBMFYSA-N 1 0 318.377 1.513 20 5 DDBDRO C[C@@H]1CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000430922973 534460010 /nfs/dbraw/zinc/46/00/10/534460010.db2.gz BQEUSRRAINNYAC-TXEJJXNPSA-N 1 0 306.366 1.606 20 5 DDBDRO CC1(C)[C@H]([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)[C@@H]2CCCO[C@@H]21 ZINC000451475146 527869781 /nfs/dbraw/zinc/86/97/81/527869781.db2.gz BTTURNWTMUYMJM-CFVMTHIKSA-N 1 0 321.377 1.550 20 5 DDBDRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000299530448 528118244 /nfs/dbraw/zinc/11/82/44/528118244.db2.gz LLRVDCTWNYMDRA-JTQLQIEISA-N 1 0 311.386 1.867 20 5 DDBDRO CC[NH+](CC)CCOCCNc1ncc([N+](=O)[O-])cc1F ZINC000413237574 528143886 /nfs/dbraw/zinc/14/38/86/528143886.db2.gz RNRXMWVFAIZWDV-UHFFFAOYSA-N 1 0 300.334 1.899 20 5 DDBDRO CC[N@H+](CCO)CCNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412269578 528544268 /nfs/dbraw/zinc/54/42/68/528544268.db2.gz LPAVXTDHTAXGMD-LSDHHAIUSA-N 1 0 321.377 1.129 20 5 DDBDRO CCOC(=O)CC1([NH2+]Cc2c([N+](=O)[O-])ncn2C)CCCC1 ZINC000434612216 528669012 /nfs/dbraw/zinc/66/90/12/528669012.db2.gz PLTNVCUQNSCWMM-UHFFFAOYSA-N 1 0 310.354 1.684 20 5 DDBDRO CC1(C)COC[C@@H]1[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000451805003 529133733 /nfs/dbraw/zinc/13/37/33/529133733.db2.gz AHLRDQBICPILRW-AWEZNQCLSA-N 1 0 319.361 1.499 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CCc3ccncc3)CC2)nc1 ZINC000101558121 696607897 /nfs/dbraw/zinc/60/78/97/696607897.db2.gz YYWZIPSKLWKWHW-UHFFFAOYSA-N 1 0 313.361 1.750 20 5 DDBDRO C[C@H](CNS(=O)(=O)c1csc([N+](=O)[O-])c1)[N@H+](C)C1CC1 ZINC000119707427 696684226 /nfs/dbraw/zinc/68/42/26/696684226.db2.gz PSMMABGOBDFIGU-MRVPVSSYSA-N 1 0 319.408 1.417 20 5 DDBDRO COCC[C@H](CO)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000798940389 700105915 /nfs/dbraw/zinc/10/59/15/700105915.db2.gz GNYLRHBYESUGBL-CQSZACIVSA-N 1 0 323.393 1.551 20 5 DDBDRO CCC[C@@H]1CN(Cn2cc([N+](=O)[O-])cn2)CC[N@@H+]1CCOC ZINC000159791420 697312592 /nfs/dbraw/zinc/31/25/92/697312592.db2.gz NZUSGTMLNJSVBV-CYBMUJFWSA-N 1 0 311.386 1.182 20 5 DDBDRO Nc1c(C(=O)OCCC[NH+]2CCCC2)cc(F)cc1[N+](=O)[O-] ZINC000800141835 700193532 /nfs/dbraw/zinc/19/35/32/700193532.db2.gz JBOWTQYSNAEMOH-UHFFFAOYSA-N 1 0 311.313 1.959 20 5 DDBDRO Cc1nn(CN2CC[C@@H](C[NH+](C)C)C2)c2ncc([N+](=O)[O-])cc12 ZINC000749955867 700194836 /nfs/dbraw/zinc/19/48/36/700194836.db2.gz TUQFMGMIKHBSHL-LBPRGKRZSA-N 1 0 318.381 1.489 20 5 DDBDRO Cc1nn(C)c(C)c1CC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776279865 698091516 /nfs/dbraw/zinc/09/15/16/698091516.db2.gz ZGBDWEDUSVEDOV-INIZCTEOSA-N 1 0 318.377 1.811 20 5 DDBDRO CC(C)(C)[C@H](C[NH3+])NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000261601020 698428288 /nfs/dbraw/zinc/42/82/88/698428288.db2.gz ZYVWEBGNOIBYGJ-JTQLQIEISA-N 1 0 319.358 1.386 20 5 DDBDRO Cc1nn(CN2CC[C@H](C[N@H+](C)CC3CC3)C2)cc1[N+](=O)[O-] ZINC000779864607 698476310 /nfs/dbraw/zinc/47/63/10/698476310.db2.gz ZYTVBQBTEYSKNI-CQSZACIVSA-N 1 0 307.398 1.721 20 5 DDBDRO C/C=C(/C)C(=O)N1CCC([NH2+]Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000990844583 699171809 /nfs/dbraw/zinc/17/18/09/699171809.db2.gz HZQMGWSRHRDRJI-WCIBSUBMSA-N 1 0 321.381 1.375 20 5 DDBDRO COc1ccc(C[N@@H+]2CC[C@@H](C3OCCO3)C2)cc1[N+](=O)[O-] ZINC000719003844 699297205 /nfs/dbraw/zinc/29/72/05/699297205.db2.gz ZFUJIOJXNFAUNP-GFCCVEGCSA-N 1 0 308.334 1.798 20 5 DDBDRO Nc1nc(NC2CC[NH+](C[C@H]3CCCO3)CC2)ncc1[N+](=O)[O-] ZINC000725787492 699334070 /nfs/dbraw/zinc/33/40/70/699334070.db2.gz JUHCCNGRHFPCEX-LLVKDONJSA-N 1 0 322.369 1.022 20 5 DDBDRO C[NH+](C)CCCOC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000792129806 699677440 /nfs/dbraw/zinc/67/74/40/699677440.db2.gz ONMRBDOWKSUPKU-UHFFFAOYSA-N 1 0 310.335 1.708 20 5 DDBDRO COc1c(C(=O)N[C@@H](C[NH+](C)C)C(C)C)cccc1[N+](=O)[O-] ZINC000793493599 699760906 /nfs/dbraw/zinc/76/09/06/699760906.db2.gz OJLLDCWSGZCLGA-LBPRGKRZSA-N 1 0 309.366 1.919 20 5 DDBDRO O=C(COc1cccc([N+](=O)[O-])c1)O[C@H]1CCN(CCF)C1 ZINC000802244549 700389842 /nfs/dbraw/zinc/38/98/42/700389842.db2.gz PZLKKEKMZUIBBL-ZDUSSCGKSA-N 1 0 312.297 1.561 20 5 DDBDRO C[NH+](C)CCSCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000755627485 700573998 /nfs/dbraw/zinc/57/39/98/700573998.db2.gz UUAJVNFDSNPAPC-UHFFFAOYSA-N 1 0 301.343 1.967 20 5 DDBDRO Cn1cc([C@@H](O)C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)cn1 ZINC000761527317 700862776 /nfs/dbraw/zinc/86/27/76/700862776.db2.gz SCZQSBXVYQBUFK-ZDUSSCGKSA-N 1 0 310.741 1.805 20 5 DDBDRO C[C@H]([NH2+][C@H](CCO)C1CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000763061497 700923136 /nfs/dbraw/zinc/92/31/36/700923136.db2.gz XZFYEILSKGSERS-IINYFYTJSA-N 1 0 307.350 1.672 20 5 DDBDRO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[C@H](C)CN1C ZINC000768845466 701209225 /nfs/dbraw/zinc/20/92/25/701209225.db2.gz MWOLEGWUPHMAAY-NXEZZACHSA-N 1 0 322.321 1.668 20 5 DDBDRO COCC[N@@H+]1CC[C@H](Nc2cc(OC)cc(F)c2[N+](=O)[O-])C1 ZINC000771200807 701313009 /nfs/dbraw/zinc/31/30/09/701313009.db2.gz UAFKABBJIQVMAR-JTQLQIEISA-N 1 0 313.329 1.875 20 5 DDBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N[C@H](CO)C[NH+]1CCCC1 ZINC000808223816 701509125 /nfs/dbraw/zinc/50/91/25/701509125.db2.gz ZKNZGPVZFSLHFI-PODYEWJSSA-N 1 0 319.361 1.181 20 5 DDBDRO COc1ccc(C[NH2+]CCCc2cnn(C)n2)cc1[N+](=O)[O-] ZINC000815145195 701814534 /nfs/dbraw/zinc/81/45/34/701814534.db2.gz XPGBZHAASMERTN-UHFFFAOYSA-N 1 0 305.338 1.454 20 5 DDBDRO C[C@@](CO)([NH2+]CCC(=O)N1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000879271648 706636039 /nfs/dbraw/zinc/63/60/39/706636039.db2.gz HROVDVPJGQBEOM-INIZCTEOSA-N 1 0 321.377 1.404 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@@H](CO)CC2)c1 ZINC000816666761 702138434 /nfs/dbraw/zinc/13/84/34/702138434.db2.gz VJGBYJHTMGWJAC-GFCCVEGCSA-N 1 0 322.361 1.976 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000812342898 702165730 /nfs/dbraw/zinc/16/57/30/702165730.db2.gz NMYWSQGKDRJOSE-NWDGAFQWSA-N 1 0 319.361 1.627 20 5 DDBDRO Cc1cc(C(=O)N2CC[C@@H]([NH+](C)C)[C@@H]2C)c(N)c([N+](=O)[O-])c1 ZINC000816768405 702187898 /nfs/dbraw/zinc/18/78/98/702187898.db2.gz VIEMTDOJBBTODY-CMPLNLGQSA-N 1 0 306.366 1.650 20 5 DDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000866218035 706652255 /nfs/dbraw/zinc/65/22/55/706652255.db2.gz KNZKIASIKWUHRJ-OAHLLOKOSA-N 1 0 320.393 1.731 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CC[C@@H](n3cccn3)C2)cc1 ZINC000812876672 702256732 /nfs/dbraw/zinc/25/67/32/702256732.db2.gz OGRVMWVDKNDWRN-CABCVRRESA-N 1 0 302.334 1.772 20 5 DDBDRO Cc1nn(C)c(N(C)CC[NH+]2CC3(C2)CCOCC3)c1[N+](=O)[O-] ZINC000866257180 706659118 /nfs/dbraw/zinc/65/91/18/706659118.db2.gz XPPXONNHOPFAIX-UHFFFAOYSA-N 1 0 323.397 1.185 20 5 DDBDRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1c1ccc([N+](=O)[O-])c2nonc21 ZINC000842046640 702663498 /nfs/dbraw/zinc/66/34/98/702663498.db2.gz FTNOBBLOPYTYCA-VHSXEESVSA-N 1 0 321.337 1.022 20 5 DDBDRO O=[N+]([O-])c1ccc2[nH]nc(-c3nc([C@@H]4CCC[NH2+]C4)no3)c2c1 ZINC000842665154 702753150 /nfs/dbraw/zinc/75/31/50/702753150.db2.gz KSQMQFRANSCUHO-MRVPVSSYSA-N 1 0 314.305 1.988 20 5 DDBDRO CC(C)C[C@@](C)(C[NH3+])NS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000842722726 702762671 /nfs/dbraw/zinc/76/26/71/702762671.db2.gz MINJALHKEYTWPH-LBPRGKRZSA-N 1 0 316.383 1.032 20 5 DDBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)C[NH3+] ZINC000842762233 702769009 /nfs/dbraw/zinc/76/90/09/702769009.db2.gz JHMCDGDGOXCDMU-SSDOTTSWSA-N 1 0 307.759 1.182 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]Cc2ccccc2CO)cc1 ZINC000843069734 702813163 /nfs/dbraw/zinc/81/31/63/702813163.db2.gz RBBZSDFEOSTHTB-MRXNPFEDSA-N 1 0 302.330 1.910 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCc2ccc(CO)cc2)c1 ZINC000843076606 702814250 /nfs/dbraw/zinc/81/42/50/702814250.db2.gz KQIGSGHILKRCTP-QGZVFWFLSA-N 1 0 316.357 1.953 20 5 DDBDRO O=[N+]([O-])c1ccccc1Cc1noc(C[C@@H]2C[NH2+]CCO2)n1 ZINC000843170919 702832545 /nfs/dbraw/zinc/83/25/45/702832545.db2.gz NAGVSBTYDXVTME-LLVKDONJSA-N 1 0 304.306 1.100 20 5 DDBDRO [NH3+]CCOCc1nc(CCNc2ccccc2[N+](=O)[O-])no1 ZINC000843185175 702835738 /nfs/dbraw/zinc/83/57/38/702835738.db2.gz OKFSJQUFFMQFLQ-UHFFFAOYSA-N 1 0 307.310 1.108 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CCC(C[NH3+])CC2)cc1[N+](=O)[O-] ZINC000843303396 702856563 /nfs/dbraw/zinc/85/65/63/702856563.db2.gz SAHNQRFLLOLIKE-UHFFFAOYSA-N 1 0 322.321 1.622 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CCC[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000843323275 702859134 /nfs/dbraw/zinc/85/91/34/702859134.db2.gz UEOVWOVKGGDEMO-JTQLQIEISA-N 1 0 322.321 1.622 20 5 DDBDRO C[NH2+][C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)C1 ZINC000843326496 702859816 /nfs/dbraw/zinc/85/98/16/702859816.db2.gz RYXQKELTLDTMPC-NSHDSACASA-N 1 0 322.321 1.635 20 5 DDBDRO C[C@@H](C[NH3+])N(C)C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000843345117 702863369 /nfs/dbraw/zinc/86/33/69/702863369.db2.gz UECGTOIUTJLHKN-ZETCQYMHSA-N 1 0 303.721 1.735 20 5 DDBDRO Cc1cc(F)cc(C(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)c1[N+](=O)[O-] ZINC000843356760 702865726 /nfs/dbraw/zinc/86/57/26/702865726.db2.gz AMCCWUWFOGVYMO-JOYOIKCWSA-N 1 0 311.313 1.231 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000843456220 702885877 /nfs/dbraw/zinc/88/58/77/702885877.db2.gz ZPFWLPPCOMWTJS-NXEZZACHSA-N 1 0 322.321 1.621 20 5 DDBDRO Cc1cc(F)cc(C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)c1[N+](=O)[O-] ZINC000843482413 702890744 /nfs/dbraw/zinc/89/07/44/702890744.db2.gz WMUCZRDYTPPCLN-ZWNOBZJWSA-N 1 0 307.325 1.866 20 5 DDBDRO C[C@H]([NH3+])[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000843487482 702891605 /nfs/dbraw/zinc/89/16/05/702891605.db2.gz QEPOGUMULCPMGN-QWRGUYRKSA-N 1 0 306.366 1.661 20 5 DDBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@@H]1C[C@@]13CC[NH2+]C3)CC2 ZINC000843495390 702893739 /nfs/dbraw/zinc/89/37/39/702893739.db2.gz QTYLMBNLVZOSIN-BLLLJJGKSA-N 1 0 301.346 1.792 20 5 DDBDRO C[C@@H]([NH2+]C[C@]12COC(=O)N1CCOC2)c1cccc([N+](=O)[O-])c1 ZINC000866519949 706719755 /nfs/dbraw/zinc/71/97/55/706719755.db2.gz YPZLHTPHLPASKD-ABAIWWIYSA-N 1 0 321.333 1.467 20 5 DDBDRO CCO[C@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1C)C[NH+](C)C ZINC000831738818 706767426 /nfs/dbraw/zinc/76/74/26/706767426.db2.gz SAUSJFSVOYXCOI-CQSZACIVSA-N 1 0 323.393 1.529 20 5 DDBDRO CO[C@H]1CC[C@H]([NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000851716916 703835522 /nfs/dbraw/zinc/83/55/22/703835522.db2.gz OGOPZLSYAFUAGV-JSGCOSHPSA-N 1 0 306.366 1.679 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)Nc2cccc(OCC[NH3+])c2)n1 ZINC000818542613 703922819 /nfs/dbraw/zinc/92/28/19/703922819.db2.gz RKTMHXNFZZMBIX-UHFFFAOYSA-N 1 0 319.321 1.401 20 5 DDBDRO COc1cc(CN2CCC3=C(CCC(=O)N3)C2)ccc1[N+](=O)[O-] ZINC000852296932 704000740 /nfs/dbraw/zinc/00/07/40/704000740.db2.gz CRKSDHATWOJTGN-UHFFFAOYSA-N 1 0 317.345 1.973 20 5 DDBDRO O=C1OCCN1CCC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819013292 704051641 /nfs/dbraw/zinc/05/16/41/704051641.db2.gz XITARQBFZYMHLC-CYBMUJFWSA-N 1 0 309.322 1.060 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@H]2CCN(CC3CC3)C2)cc1 ZINC000819039573 704056662 /nfs/dbraw/zinc/05/66/62/704056662.db2.gz RWDVJMDVCPPHRG-HOCLYGCPSA-N 1 0 305.378 1.702 20 5 DDBDRO CC(C)(C)[S@](=O)CC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819057012 704062127 /nfs/dbraw/zinc/06/21/27/704062127.db2.gz RHPMPASFLWGNLI-YEJXKQKISA-N 1 0 314.407 1.765 20 5 DDBDRO CCOC(=O)C[C@H](C)C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819193964 704084618 /nfs/dbraw/zinc/08/46/18/704084618.db2.gz MYQATBQZSYWYJH-SMDDNHRTSA-N 1 0 310.350 1.807 20 5 DDBDRO Cc1nccnc1CC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819334747 704109157 /nfs/dbraw/zinc/10/91/57/704109157.db2.gz KDDBPXAKYHWROR-OAHLLOKOSA-N 1 0 302.334 1.559 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)C=C1CC[NH2+]CC1 ZINC000852820083 704135698 /nfs/dbraw/zinc/13/56/98/704135698.db2.gz KZDRNCGKCQAXJW-UHFFFAOYSA-N 1 0 305.334 1.529 20 5 DDBDRO O=C(CCC12CC(C1)C[NH2+]2)NCCNc1ccccc1[N+](=O)[O-] ZINC000870856615 704146114 /nfs/dbraw/zinc/14/61/14/704146114.db2.gz SOHZFAJMDDBRMN-UHFFFAOYSA-N 1 0 318.377 1.655 20 5 DDBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000870967565 704184674 /nfs/dbraw/zinc/18/46/74/704184674.db2.gz BOFWBEQXBMKHJP-GARJFASQSA-N 1 0 309.391 1.929 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H](O)c1ccccn1 ZINC000853099267 704196792 /nfs/dbraw/zinc/19/67/92/704196792.db2.gz PLKOJHLHWCZWDR-CQSZACIVSA-N 1 0 303.318 1.822 20 5 DDBDRO Cn1cc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)c(Cl)n1 ZINC000857046024 704548772 /nfs/dbraw/zinc/54/87/72/704548772.db2.gz FGQJAZITHOTCHR-UHFFFAOYSA-N 1 0 309.757 1.947 20 5 DDBDRO CCN(CC[NH3+])S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000858618722 704735419 /nfs/dbraw/zinc/73/54/19/704735419.db2.gz DZNKECVCYJACOD-UHFFFAOYSA-N 1 0 307.759 1.218 20 5 DDBDRO C[C@H]1C[N@H+](CCO)CCN1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000832783216 706983540 /nfs/dbraw/zinc/98/35/40/706983540.db2.gz PEYFLYLBOHMJDS-NSHDSACASA-N 1 0 313.785 1.747 20 5 DDBDRO COCC1(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC[NH2+]CC1 ZINC000822643888 704994996 /nfs/dbraw/zinc/99/49/96/704994996.db2.gz IRTFSWONCDVMOF-UHFFFAOYSA-N 1 0 318.333 1.912 20 5 DDBDRO [NH3+]CCCn1cc(-c2nc(-c3ccc([N+](=O)[O-])s3)no2)nn1 ZINC000823069211 705130150 /nfs/dbraw/zinc/13/01/50/705130150.db2.gz INSQRAANQSLZCL-UHFFFAOYSA-N 1 0 321.322 1.314 20 5 DDBDRO Cc1nc([N+](=O)[O-])c(-c2noc(-c3coc(C[NH3+])c3)n2)n1C ZINC000823093693 705137107 /nfs/dbraw/zinc/13/71/07/705137107.db2.gz GSZNKZPCNDQRNU-UHFFFAOYSA-N 1 0 304.266 1.405 20 5 DDBDRO CC(C)[C@@H]1C[N@H+](C)CCN1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000823179375 705163438 /nfs/dbraw/zinc/16/34/38/705163438.db2.gz MMGGOYZBLMYHMD-JKSUJKDBSA-N 1 0 307.394 1.900 20 5 DDBDRO COc1ccc(C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3C)cc1[N+](=O)[O-] ZINC000874848709 705202605 /nfs/dbraw/zinc/20/26/05/705202605.db2.gz GMDIGNFSLFCPRD-CHWSQXEVSA-N 1 0 319.361 1.912 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCC[C@@H](n3ccnn3)C2)cc1 ZINC000823468833 705249637 /nfs/dbraw/zinc/24/96/37/705249637.db2.gz LIBKLMXKOFIXLQ-HUUCEWRRSA-N 1 0 317.349 1.557 20 5 DDBDRO CO[C@@H]1C[N@H+](C)[C@@](C)(COC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000861340621 705433154 /nfs/dbraw/zinc/43/31/54/705433154.db2.gz KGMBBXXQNQFZRZ-DZGCQCFKSA-N 1 0 308.334 1.861 20 5 DDBDRO CO[C@H]1C[N@H+](C)[C@](C)(COC(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000861345110 705436670 /nfs/dbraw/zinc/43/66/70/705436670.db2.gz YWBYYBNHHFWONT-YGRLFVJLSA-N 1 0 311.338 1.199 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000824369053 705437816 /nfs/dbraw/zinc/43/78/16/705437816.db2.gz VANYXIZMURAWIG-OLZOCXBDSA-N 1 0 321.381 1.233 20 5 DDBDRO COCC(COC)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000824921808 705558974 /nfs/dbraw/zinc/55/89/74/705558974.db2.gz SSIFTSSEWNBJSS-UHFFFAOYSA-N 1 0 323.393 1.815 20 5 DDBDRO C[NH+](C)CC1CCN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000825887084 705741846 /nfs/dbraw/zinc/74/18/46/705741846.db2.gz LHDSCGBDCLZJOV-OAHLLOKOSA-N 1 0 321.377 1.428 20 5 DDBDRO CC[NH+](CC)C[C@H](C)NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825891230 705742092 /nfs/dbraw/zinc/74/20/92/705742092.db2.gz HPOKNVXIUWYJTR-FZMZJTMJSA-N 1 0 309.366 1.475 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000876871089 705899575 /nfs/dbraw/zinc/89/95/75/705899575.db2.gz TYPOEKOCMLTQQW-GFCCVEGCSA-N 1 0 307.350 1.320 20 5 DDBDRO Cn1ncc2c1CCC[C@@H]2[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000876929569 705928312 /nfs/dbraw/zinc/92/83/12/705928312.db2.gz KKHDKROVCXDVAD-MGULZYLOSA-N 1 0 316.365 1.896 20 5 DDBDRO C[C@@H]1SCC[C@H]1NC(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000876944610 705932971 /nfs/dbraw/zinc/93/29/71/705932971.db2.gz RXDKIXMZYXSOGS-BHYNMZESSA-N 1 0 309.391 1.779 20 5 DDBDRO Nc1ccc(-c2noc([C@@H](F)[C@@H]3CC[NH2+]C3)n2)cc1[N+](=O)[O-] ZINC000863658023 705978782 /nfs/dbraw/zinc/97/87/82/705978782.db2.gz INQVNBGECCNZIX-KCJUWKMLSA-N 1 0 307.285 1.847 20 5 DDBDRO C[C@H]([NH3+])CN(C)C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000877096536 705981853 /nfs/dbraw/zinc/98/18/53/705981853.db2.gz JJIZVYQZKGUUNO-NSHDSACASA-N 1 0 306.366 1.614 20 5 DDBDRO COC(=O)Cc1ccc(N2CCC([NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000827383401 705990259 /nfs/dbraw/zinc/99/02/59/705990259.db2.gz DMXOKWZYNXURQK-UHFFFAOYSA-N 1 0 321.377 1.841 20 5 DDBDRO O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000877165178 706003980 /nfs/dbraw/zinc/00/39/80/706003980.db2.gz IMWTWFMSIJQJIP-AAEUAGOBSA-N 1 0 316.361 1.381 20 5 DDBDRO Cc1cc(C(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)c(N)c([N+](=O)[O-])c1 ZINC000827499358 706015060 /nfs/dbraw/zinc/01/50/60/706015060.db2.gz DLQWZTXMERXRSU-CQSZACIVSA-N 1 0 320.393 1.898 20 5 DDBDRO COc1cc(C(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)cc([N+](=O)[O-])c1C ZINC000877277770 706045934 /nfs/dbraw/zinc/04/59/34/706045934.db2.gz OSAGTEQFZHLKJZ-CHWSQXEVSA-N 1 0 319.361 1.878 20 5 DDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@H]3Cc4cccc(O)c4C3)C2)c1 ZINC000877476691 706117915 /nfs/dbraw/zinc/11/79/15/706117915.db2.gz KNOYTSPWWMFWBB-HIFPTAJRSA-N 1 0 314.345 1.957 20 5 DDBDRO O=C1CC2(CCC2)[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CCN1 ZINC000880169729 706899470 /nfs/dbraw/zinc/89/94/70/706899470.db2.gz ZGVRCHDNRGXRKW-AWEZNQCLSA-N 1 0 319.361 1.373 20 5 DDBDRO C[C@H]1CN(CCn2cc([N+](=O)[O-])cn2)CCN1c1cc[nH+]cc1 ZINC000880260980 706924175 /nfs/dbraw/zinc/92/41/75/706924175.db2.gz RTYGEYRMSBZDMS-ZDUSSCGKSA-N 1 0 316.365 1.397 20 5 DDBDRO CNc1ccc(C(=O)N2CCC3(C2)CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000834426896 707051360 /nfs/dbraw/zinc/05/13/60/707051360.db2.gz UTPLHODMSZHMPV-UHFFFAOYSA-N 1 0 318.377 1.852 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CCC3(C2)CC[NH2+]CC3)n1 ZINC000834439157 707054147 /nfs/dbraw/zinc/05/41/47/707054147.db2.gz VMHPXCLSUWLDSJ-UHFFFAOYSA-N 1 0 307.354 1.027 20 5 DDBDRO C[C@H]([NH2+]C[C@H]1CCS(=O)(=O)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872019338 707281688 /nfs/dbraw/zinc/28/16/88/707281688.db2.gz WBXPFASTVMMYIX-VHSXEESVSA-N 1 0 316.354 1.819 20 5 DDBDRO C[C@H]([NH2+][C@H]1CCc2nnn(C)c2C1)c1cccc([N+](=O)[O-])c1 ZINC000927147839 712947209 /nfs/dbraw/zinc/94/72/09/712947209.db2.gz RSTGYFXRQWSPFN-JQWIXIFHSA-N 1 0 301.350 1.931 20 5 DDBDRO C[NH+](C)CCCC(C)(C)NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000836855900 707531291 /nfs/dbraw/zinc/53/12/91/707531291.db2.gz ZCKXOGBINJQIAS-CQSZACIVSA-N 1 0 323.393 1.865 20 5 DDBDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000837189584 707594715 /nfs/dbraw/zinc/59/47/15/707594715.db2.gz JOIGWQFQYMRZBX-LBPRGKRZSA-N 1 0 306.366 1.732 20 5 DDBDRO CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000882493751 707664656 /nfs/dbraw/zinc/66/46/56/707664656.db2.gz LFJMYHMAUWVNDM-VIFPVBQESA-N 1 0 311.313 1.567 20 5 DDBDRO Cc1cc(N2CCN(C)CC[N@@H+](C)CC2)c(F)cc1[N+](=O)[O-] ZINC000897096017 708228850 /nfs/dbraw/zinc/22/88/50/708228850.db2.gz YVHZTEIFESVKPE-UHFFFAOYSA-N 1 0 310.373 1.726 20 5 DDBDRO C[NH+]1CCC2(CCN2c2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000897137287 708237757 /nfs/dbraw/zinc/23/77/57/708237757.db2.gz VHGBZCWZKKPKQT-UHFFFAOYSA-N 1 0 307.379 1.979 20 5 DDBDRO O=[N+]([O-])c1cccc(F)c1N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000897222720 708260516 /nfs/dbraw/zinc/26/05/16/708260516.db2.gz XANUFHXQVMLLHZ-STQMWFEESA-N 1 0 309.341 1.769 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@@H]3C[C@@]34CCOC4)CC2)cn1 ZINC000885937556 708666805 /nfs/dbraw/zinc/66/68/05/708666805.db2.gz CFRICXNOFBXJQM-XJKSGUPXSA-N 1 0 318.377 1.538 20 5 DDBDRO CCO[C@@H]1C[C@@](CO)([NH2+]Cc2cccnc2[N+](=O)[O-])C1(C)C ZINC000886160271 708707954 /nfs/dbraw/zinc/70/79/54/708707954.db2.gz OWNXEWJDQWTJMV-DOMZBBRYSA-N 1 0 309.366 1.646 20 5 DDBDRO O=C([C@@H]1CC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1)N1CCCC1 ZINC000886205823 708714550 /nfs/dbraw/zinc/71/45/50/708714550.db2.gz AAIGAXMQZXMEET-CYBMUJFWSA-N 1 0 304.350 1.434 20 5 DDBDRO C[C@H](CNC(=O)[C@@]1(C)C[C@H](O)C[N@@H+]1C)c1ccccc1[N+](=O)[O-] ZINC000887399067 709036596 /nfs/dbraw/zinc/03/65/96/709036596.db2.gz MBGMKGZHPLNGQO-BFQNTYOBSA-N 1 0 321.377 1.270 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1CCC(C)(C)C1 ZINC000890080189 709738519 /nfs/dbraw/zinc/73/85/19/709738519.db2.gz XWCQSZWPQNNDOF-UHFFFAOYSA-N 1 0 306.366 1.760 20 5 DDBDRO CCN(C(=O)NCCc1cccc([N+](=O)[O-])c1)[C@@H]1CC[NH2+]C1 ZINC000891724048 710275981 /nfs/dbraw/zinc/27/59/81/710275981.db2.gz XHAHIKUJTZIVCI-CQSZACIVSA-N 1 0 306.366 1.531 20 5 DDBDRO C[N@@H+]1C[C@@]2(C)CN(C(=O)Cc3ccccc3[N+](=O)[O-])C[C@@]2(C)C1 ZINC000913295448 713194085 /nfs/dbraw/zinc/19/40/85/713194085.db2.gz UBFYWQAANJSOGT-CALCHBBNSA-N 1 0 317.389 1.938 20 5 DDBDRO C[C@H]1[C@@H](NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000928435425 713194433 /nfs/dbraw/zinc/19/44/33/713194433.db2.gz GOTSLOXNZUWBCY-CABZTGNLSA-N 1 0 313.304 1.895 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1N1CC[N@H+](C)[C@H](Cc2ccccc2)C1 ZINC000893743759 710803495 /nfs/dbraw/zinc/80/34/95/710803495.db2.gz IOQHOZZKSVJOSO-CQSZACIVSA-N 1 0 315.377 1.691 20 5 DDBDRO [NH3+]C[C@@H]1CCCN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000911706682 710940665 /nfs/dbraw/zinc/94/06/65/710940665.db2.gz GWECGGUYQFQCKR-NSHDSACASA-N 1 0 309.341 1.864 20 5 DDBDRO COc1cc([C@@H](C)[NH2+][C@@H]2CCCN(C)C2=O)cc([N+](=O)[O-])c1 ZINC000903104664 711032802 /nfs/dbraw/zinc/03/28/02/711032802.db2.gz KUEWPWZBTDBBSP-QMTHXVAHSA-N 1 0 307.350 1.875 20 5 DDBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)c1ccc2c(n1)C[NH2+]CC2 ZINC000912272698 711253820 /nfs/dbraw/zinc/25/38/20/711253820.db2.gz VUJATVCHYNBNHU-UHFFFAOYSA-N 1 0 312.329 1.566 20 5 DDBDRO CCc1nn(C)c(N2C[C@@]3(C)C[NH+](C)C[C@]3(C)C2)c1[N+](=O)[O-] ZINC000894798067 711275048 /nfs/dbraw/zinc/27/50/48/711275048.db2.gz SPSDODZHYQXBTC-HUUCEWRRSA-N 1 0 307.398 1.669 20 5 DDBDRO CCc1nn(C)c(N2C[C@]3(C)C[N@H+](C)C[C@]3(C)C2)c1[N+](=O)[O-] ZINC000894798065 711275256 /nfs/dbraw/zinc/27/52/56/711275256.db2.gz SPSDODZHYQXBTC-GASCZTMLSA-N 1 0 307.398 1.669 20 5 DDBDRO C[N@@H+]1CCN(c2nccc3c2cccc3[N+](=O)[O-])C[C@@H]1CO ZINC000894883893 711307486 /nfs/dbraw/zinc/30/74/86/711307486.db2.gz BKVICEWRKUUAJK-LLVKDONJSA-N 1 0 302.334 1.256 20 5 DDBDRO COc1c(O)ccc(C[N@@H+]2CC[C@H](C)[C@H](CO)C2)c1[N+](=O)[O-] ZINC000895515978 711531146 /nfs/dbraw/zinc/53/11/46/711531146.db2.gz YRQDJJSKZNFNFG-JQWIXIFHSA-N 1 0 310.350 1.759 20 5 DDBDRO CCOC(=O)c1ccnc(N[C@@H]2CC[N@H+](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000895739039 711591709 /nfs/dbraw/zinc/59/17/09/711591709.db2.gz AMOJNYWTCWUWIP-MWLCHTKSSA-N 1 0 308.338 1.671 20 5 DDBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)C1C[NH+](C2CCOCC2)C1 ZINC000895800107 711609124 /nfs/dbraw/zinc/60/91/24/711609124.db2.gz ZZDCNEJOXKAGKR-UHFFFAOYSA-N 1 0 319.361 1.322 20 5 DDBDRO COC(=O)CN1CCC([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000896511517 711735767 /nfs/dbraw/zinc/73/57/67/711735767.db2.gz FOJZZVWCSGJCAF-GFCCVEGCSA-N 1 0 321.377 1.883 20 5 DDBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000896524080 711738072 /nfs/dbraw/zinc/73/80/72/711738072.db2.gz SBXALVRCMHCOEE-CYBMUJFWSA-N 1 0 323.397 1.785 20 5 DDBDRO O=C(NC12CC[NH+](CC1)C2)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000913629095 713272292 /nfs/dbraw/zinc/27/22/92/713272292.db2.gz WKXRDMIQSAGDEQ-UHFFFAOYSA-N 1 0 300.318 1.654 20 5 DDBDRO COc1ccc(OCCN(C)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000914566439 713397240 /nfs/dbraw/zinc/39/72/40/713397240.db2.gz IDZDCALMFXXHAZ-UHFFFAOYSA-N 1 0 306.322 1.768 20 5 DDBDRO CC(C)(C)OC(=O)N1CCC2(CC[N@H+](CC[N+](=O)[O-])C2)CC1 ZINC000930179702 713773414 /nfs/dbraw/zinc/77/34/14/713773414.db2.gz OWOFCDPJKHPZGN-UHFFFAOYSA-N 1 0 313.398 1.986 20 5 DDBDRO CCO[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1C)C[NH+](C)C ZINC000930883540 713949536 /nfs/dbraw/zinc/94/95/36/713949536.db2.gz SPKDNVRUSQRNKT-CYBMUJFWSA-N 1 0 324.381 1.991 20 5 DDBDRO CC1([NH+]2CCC2)CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000922170941 713981675 /nfs/dbraw/zinc/98/16/75/713981675.db2.gz GAZSPZPKLAYFFL-UHFFFAOYSA-N 1 0 318.377 1.877 20 5 DDBDRO C[NH+](C)[C@@H]1[C@H]2CN(Cc3cc([N+](=O)[O-])cc4c3OCOC4)C[C@H]21 ZINC000931283181 714057144 /nfs/dbraw/zinc/05/71/44/714057144.db2.gz SJVZMMAOTGZWTJ-FICVDOATSA-N 1 0 319.361 1.453 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC[C@H]1CC(=O)N(C)C1 ZINC000922487813 714068514 /nfs/dbraw/zinc/06/85/14/714068514.db2.gz FEHITYKRTZONJK-LBPRGKRZSA-N 1 0 321.377 1.952 20 5 DDBDRO COC1(OC)CC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C[C@H]1O ZINC000931641419 714147501 /nfs/dbraw/zinc/14/75/01/714147501.db2.gz FALIPGCRDOTEOH-BXUZGUMPSA-N 1 0 310.350 1.712 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CC[C@@H](C3OCCO3)C2)c1 ZINC000932004570 714231186 /nfs/dbraw/zinc/23/11/86/714231186.db2.gz ZGPRZMRHWXEXNJ-OCCSQVGLSA-N 1 0 308.334 1.323 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)c1cccc([N+](=O)[O-])c1N ZINC000923280333 714295856 /nfs/dbraw/zinc/29/58/56/714295856.db2.gz XAHBMQSIPGTPMW-WDEREUQCSA-N 1 0 304.350 1.486 20 5 DDBDRO COC(C)(C)[C@@H](C)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000932366253 714318596 /nfs/dbraw/zinc/31/85/96/714318596.db2.gz AURXGQONTQWXTO-YPMHNXCESA-N 1 0 312.366 1.738 20 5 DDBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000923462393 714363922 /nfs/dbraw/zinc/36/39/22/714363922.db2.gz FUAMIHYZMWNZKP-SLEUVZQESA-N 1 0 318.377 1.606 20 5 DDBDRO CCO[C@H]1CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000932969618 714446324 /nfs/dbraw/zinc/44/63/24/714446324.db2.gz MTPOXRUUTSOZJD-STQMWFEESA-N 1 0 310.350 1.445 20 5 DDBDRO CCO[C@H]1CC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000932969617 714446447 /nfs/dbraw/zinc/44/64/47/714446447.db2.gz MTPOXRUUTSOZJD-OLZOCXBDSA-N 1 0 310.350 1.445 20 5 DDBDRO NC(=O)[C@]12CCC[C@H]1C[N@H+](CCOc1cccc([N+](=O)[O-])c1)C2 ZINC000933760107 714665830 /nfs/dbraw/zinc/66/58/30/714665830.db2.gz PARACBVJLIMAIW-LRDDRELGSA-N 1 0 319.361 1.561 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCC[C@H]2C2OCCO2)cc1 ZINC000933902375 714697248 /nfs/dbraw/zinc/69/72/48/714697248.db2.gz ZNTPYTDCSFMBHB-UONOGXRCSA-N 1 0 308.334 1.466 20 5 DDBDRO O=[N+]([O-])c1ccc(OCCN[C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)cc1 ZINC000925598204 714896268 /nfs/dbraw/zinc/89/62/68/714896268.db2.gz QQFBYGDXQUAOIU-QYPKEOEOSA-N 1 0 303.362 1.560 20 5 DDBDRO Cc1c(CNC(=O)COC2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000935612551 715101404 /nfs/dbraw/zinc/10/14/04/715101404.db2.gz VIBMXRWCZUISIX-UHFFFAOYSA-N 1 0 321.377 1.630 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000935939783 715139100 /nfs/dbraw/zinc/13/91/00/715139100.db2.gz NBBFCJWIRVYNNI-WCQYABFASA-N 1 0 321.381 1.185 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC001164637376 719161167 /nfs/dbraw/zinc/16/11/67/719161167.db2.gz OKGXOHOZYHVQBG-NXEZZACHSA-N 1 0 308.338 1.305 20 5 DDBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CCC[C@H]([NH+](C)C)C2)n1 ZINC001165038889 721899009 /nfs/dbraw/zinc/89/90/09/721899009.db2.gz SOMDSSVUJMDIGT-NSHDSACASA-N 1 0 322.369 1.182 20 5 DDBDRO [NH3+]CCc1ccn(-c2nc3cc([N+](=O)[O-])ccc3nc2Cl)n1 ZINC001167728060 737181711 /nfs/dbraw/zinc/18/17/11/737181711.db2.gz JBJXAIULQRSPRP-UHFFFAOYSA-N 1 0 318.724 1.878 20 5 DDBDRO O=C(NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)C1=CCOCC1 ZINC001126110970 738302138 /nfs/dbraw/zinc/30/21/38/738302138.db2.gz TZGVCFPILZEIOB-UHFFFAOYSA-N 1 0 305.334 1.147 20 5 DDBDRO Cc1cc([N+](=O)[O-])cnc1N(C)CCN(C)C(=O)CC[NH+](C)C ZINC001105553705 742112299 /nfs/dbraw/zinc/11/22/99/742112299.db2.gz FMVVHIQBTKWKJY-UHFFFAOYSA-N 1 0 323.397 1.145 20 5 DDBDRO Cc1ccc(NC2(CNC(=O)CC[NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC001110325541 743774991 /nfs/dbraw/zinc/77/49/91/743774991.db2.gz YOAWSKCKRZOZIL-UHFFFAOYSA-N 1 0 320.393 1.916 20 5 DDBDRO Cc1cc(C(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)n(C)n1 ZINC001124257952 747836595 /nfs/dbraw/zinc/83/65/95/747836595.db2.gz WMZARMOHQRTIHB-UHFFFAOYSA-N 1 0 323.378 1.218 20 5 DDBDRO Cc1ccc(C[NH2+]CCOCCS(C)(=O)=O)cc1[N+](=O)[O-] ZINC001200590015 748285730 /nfs/dbraw/zinc/28/57/30/748285730.db2.gz HROCKLSZXMSRCT-UHFFFAOYSA-N 1 0 316.379 1.054 20 5 DDBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cscn1 ZINC001124737892 748457762 /nfs/dbraw/zinc/45/77/62/748457762.db2.gz ZCDMRCZAFAYZQJ-UHFFFAOYSA-N 1 0 306.347 1.571 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(-n2cnc(C)c2CSCC[NH3+])n1 ZINC001168785108 761947853 /nfs/dbraw/zinc/94/78/53/761947853.db2.gz SXLOSTUKGISTMW-UHFFFAOYSA-N 1 0 323.378 1.684 20 5 DDBDRO COc1ccc(C[C@H](CO)[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1 ZINC001168983707 762151289 /nfs/dbraw/zinc/15/12/89/762151289.db2.gz KVMVPPQLRHWWDB-RBSFLKMASA-N 1 0 308.378 1.634 20 5 DDBDRO COc1cc(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)cc(OC)c1O ZINC001168985017 762152498 /nfs/dbraw/zinc/15/24/98/762152498.db2.gz CAFYUWMWRBTVCN-JQWIXIFHSA-N 1 0 310.350 1.944 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2cc(OC3CCC3)ncn2)C1 ZINC001168997378 762170052 /nfs/dbraw/zinc/17/00/52/762170052.db2.gz YYGXYJVAMDAMQM-NEPJUHHUSA-N 1 0 306.366 1.943 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H](CO)Cc2ccc(F)cc2F)C1 ZINC001169007397 762175710 /nfs/dbraw/zinc/17/57/10/762175710.db2.gz NEIRKAHLKYHESS-DDTOSNHZSA-N 1 0 314.332 1.903 20 5 DDBDRO CCc1ncnc2c1CC[N@@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169022087 762200630 /nfs/dbraw/zinc/20/06/30/762200630.db2.gz MUIQWQQEPFJXOS-OLZOCXBDSA-N 1 0 304.394 1.885 20 5 DDBDRO CCOC(=O)c1c(C[NH3+])ncn1-c1ccc([N+](=O)[O-])c(C)n1 ZINC001155078125 760533750 /nfs/dbraw/zinc/53/37/50/760533750.db2.gz RVUAEHJEFFRCLP-UHFFFAOYSA-N 1 0 305.294 1.119 20 5 DDBDRO CSc1nc(Cl)nc(-n2ccc([C@@H](C)[NH3+])n2)c1[N+](=O)[O-] ZINC001158350729 768133927 /nfs/dbraw/zinc/13/39/27/768133927.db2.gz NXPJMFOXRFXZKZ-RXMQYKEDSA-N 1 0 314.758 1.966 20 5 DDBDRO COc1ncnc(N2CCC(C)([NH+]3CCCC3)CC2)c1[N+](=O)[O-] ZINC001157658058 766060810 /nfs/dbraw/zinc/06/08/10/766060810.db2.gz YPTPNZVEGJBDTH-UHFFFAOYSA-N 1 0 321.381 1.848 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(NC[C@H]2O[C@@H](C(C)C)O[C@@H]2C[NH3+])n1 ZINC001170277102 766232531 /nfs/dbraw/zinc/23/25/31/766232531.db2.gz MOVPCNMOINJQOQ-BZPMIXESSA-N 1 0 310.354 1.435 20 5 DDBDRO Cc1ncn(C)c1C(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001129959827 767072736 /nfs/dbraw/zinc/07/27/36/767072736.db2.gz ONHCFJQPOLZMDM-UHFFFAOYSA-N 1 0 317.349 1.156 20 5 DDBDRO CCOC(=O)C1=C(Nc2cnc([N+](=O)[O-])c(OC)c2)CC[NH2+]C1 ZINC001170518148 767759933 /nfs/dbraw/zinc/75/99/33/767759933.db2.gz ZZDNKBHLDAUYHB-UHFFFAOYSA-N 1 0 322.321 1.221 20 5 DDBDRO O=C(NC[C@H]1CC[C@H](C[NH2+]CC2CCC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001048607874 769577596 /nfs/dbraw/zinc/57/75/96/769577596.db2.gz PBMIEXOLLVPSMV-KLHDSHLOSA-N 1 0 323.437 1.964 20 5 DDBDRO Cc1ccoc1CC(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001133578189 770028246 /nfs/dbraw/zinc/02/82/46/770028246.db2.gz UGUYERUCICKRIN-UHFFFAOYSA-N 1 0 317.345 1.945 20 5 DDBDRO O=[N+]([O-])c1cccc(-c2ccc(N[C@@H]3C[NH2+]C[C@H]3CO)nn2)c1 ZINC001170776545 771209314 /nfs/dbraw/zinc/20/93/14/771209314.db2.gz GNDWQXFLDWBRRL-SMDDNHRTSA-N 1 0 315.333 1.044 20 5 DDBDRO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC001170871294 771789993 /nfs/dbraw/zinc/78/99/93/771789993.db2.gz DYJZEVGMQRWGTE-VXGBXAGGSA-N 1 0 323.349 1.475 20 5 DDBDRO COC(=O)c1ncc([N+](=O)[O-])c(C)c1NC[C@@H]1CCCC[NH2+]1 ZINC001171330551 773465098 /nfs/dbraw/zinc/46/50/98/773465098.db2.gz VZNBRWCNDNEXDJ-JTQLQIEISA-N 1 0 308.338 1.639 20 5 DDBDRO COc1cc(N2c3ccccc3OC[C@@H]2C[NH3+])cnc1[N+](=O)[O-] ZINC001171392809 774366462 /nfs/dbraw/zinc/36/64/62/774366462.db2.gz GPTNSVNMMARKAU-NSHDSACASA-N 1 0 316.317 1.856 20 5 DDBDRO Cc1cc(NCCNC(=O)C23CC[NH+](CC2)C3)ccc1[N+](=O)[O-] ZINC001093768685 775066359 /nfs/dbraw/zinc/06/63/59/775066359.db2.gz GPAULBOKRYRPDM-UHFFFAOYSA-N 1 0 318.377 1.527 20 5 DDBDRO Cc1cnc(NCCN(C)C(=O)CC[NH+](C)C)c([N+](=O)[O-])c1 ZINC001101927136 777688247 /nfs/dbraw/zinc/68/82/47/777688247.db2.gz KHARAZFWLMWHNS-UHFFFAOYSA-N 1 0 309.370 1.120 20 5 DDBDRO CN(CCNc1ccc([N+](=O)[O-])cc1)C(=O)C[N@H+](C)C1CCC1 ZINC001102016411 777798337 /nfs/dbraw/zinc/79/83/37/777798337.db2.gz UOXIZOKCQQCWKB-UHFFFAOYSA-N 1 0 320.393 1.949 20 5 DDBDRO COC1(C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)CC[NH2+]CC1 ZINC001118268284 781079995 /nfs/dbraw/zinc/07/99/95/781079995.db2.gz VMOUHCQKALXFHH-UHFFFAOYSA-N 1 0 305.334 1.206 20 5 DDBDRO CC(=O)NCCC[NH+]1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001266254559 835993427 /nfs/dbraw/zinc/99/34/27/835993427.db2.gz OBZKNPVIOMHRFU-UHFFFAOYSA-N 1 0 320.393 1.239 20 5 DDBDRO O=C(CC[N@@H+]1CC[C@]12CCOC2)Nc1cc([N+](=O)[O-])ccc1F ZINC001326214163 861199412 /nfs/dbraw/zinc/19/94/12/861199412.db2.gz RKIJRADHURKSMZ-OAHLLOKOSA-N 1 0 323.324 1.927 20 5 DDBDRO C[NH2+][C@H](C)CCNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC001326216722 861202410 /nfs/dbraw/zinc/20/24/10/861202410.db2.gz VJHDDLSGZCTMMX-MRVPVSSYSA-N 1 0 321.786 1.525 20 5 DDBDRO C[C@H](C[N+](C)(C)C)Oc1cc(I)cnn1 ZINC001227815359 843808593 /nfs/dbraw/zinc/80/85/93/843808593.db2.gz HYPNPXNOAJVFOS-MRVPVSSYSA-N 1 0 322.170 1.555 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H]2C[C@@H]([NH+](C)C)C23CCC3)n1 ZINC001149204870 861486290 /nfs/dbraw/zinc/48/62/90/861486290.db2.gz IWIRVLJZSYVQLS-UONOGXRCSA-N 1 0 318.377 1.901 20 5 DDBDRO COC(=O)[C@@H](Nc1cc([N+](=O)[O-])c2cc[nH]c2n1)C(C)(C)[NH3+] ZINC001155369534 862002074 /nfs/dbraw/zinc/00/20/74/862002074.db2.gz WJACDGOUBOUKJX-SNVBAGLBSA-N 1 0 307.310 1.162 20 5 DDBDRO COc1nc(NCC[C@H]2CCOC23C[NH2+]C3)ccc1[N+](=O)[O-] ZINC001155470380 862122955 /nfs/dbraw/zinc/12/29/55/862122955.db2.gz LEGAWORTYYGORN-JTQLQIEISA-N 1 0 308.338 1.179 20 5 DDBDRO CCOc1nc(N[C@H]2CCO[C@@]3(CC[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC001155620434 862300675 /nfs/dbraw/zinc/30/06/75/862300675.db2.gz LBLNUCUBPNRXDE-NHYWBVRUSA-N 1 0 322.365 1.712 20 5 DDBDRO O=[N+]([O-])c1cnc(N[C@H]2CCCC[C@@]23C[NH2+]CCO3)c(F)c1 ZINC001155824822 862478285 /nfs/dbraw/zinc/47/82/85/862478285.db2.gz VYKHLMQQHLNHBB-GXTWGEPZSA-N 1 0 310.329 1.842 20 5 DDBDRO O=C(Cc1cc[nH]n1)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001156081838 862707605 /nfs/dbraw/zinc/70/76/05/862707605.db2.gz WDLHMEOHUIVACF-UHFFFAOYSA-N 1 0 317.349 1.157 20 5 DDBDRO CN(CC1CC[NH2+]CC1)C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC001122474988 858839283 /nfs/dbraw/zinc/83/92/83/858839283.db2.gz NNVRMBWWDXHNLW-UHFFFAOYSA-N 1 0 320.393 1.855 20 5 DDBDRO CC(C)SCC(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001123775223 859408624 /nfs/dbraw/zinc/40/86/24/859408624.db2.gz WCOVPJKDWUWYNY-UHFFFAOYSA-N 1 0 311.407 1.942 20 5 DDBDRO CCCCOCC(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001125078693 859889874 /nfs/dbraw/zinc/88/98/74/859889874.db2.gz RVLAVQZHRYXHOX-UHFFFAOYSA-N 1 0 309.366 1.617 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCCNC(=O)C1CCCCC1 ZINC001154245707 860915383 /nfs/dbraw/zinc/91/53/83/860915383.db2.gz BFYUNUZQQIBFMR-UHFFFAOYSA-N 1 0 323.397 1.505 20 5 DDBDRO CCC(=CC(=O)NCCC[NH2+]Cc1c([N+](=O)[O-])ncn1C)CC ZINC001156477174 863082298 /nfs/dbraw/zinc/08/22/98/863082298.db2.gz GZWPLWKYILCNOD-UHFFFAOYSA-N 1 0 323.397 1.671 20 5 DDBDRO [NH3+]CCc1nccn1-c1ccc(-c2ccc([N+](=O)[O-])cc2)nn1 ZINC001156484127 863092862 /nfs/dbraw/zinc/09/28/62/863092862.db2.gz IYUWUDCIIJPZJP-UHFFFAOYSA-N 1 0 310.317 1.739 20 5 DDBDRO COc1nc(C)c([N+](=O)[O-])c(-n2ccc3cc(C[NH3+])cnc32)n1 ZINC001156594249 863175182 /nfs/dbraw/zinc/17/51/82/863175182.db2.gz FLGUQCREZLDMEJ-UHFFFAOYSA-N 1 0 314.305 1.499 20 5 DDBDRO Cc1nc(C(=O)NCCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)co1 ZINC001157018774 863520786 /nfs/dbraw/zinc/52/07/86/863520786.db2.gz ZDFAAUMRGDNTAU-UHFFFAOYSA-N 1 0 318.333 1.801 20 5 DDBDRO C[NH2+][C@@H](C)CCNC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC001329484783 863692502 /nfs/dbraw/zinc/69/25/02/863692502.db2.gz WDXJKDPIBUMFNL-QMMMGPOBSA-N 1 0 310.310 1.539 20 5 DDBDRO C[N@@H+]1CCC[C@@H]2CN(c3ncc([N+](=O)[O-])cc3[N+](=O)[O-])C[C@H]21 ZINC001157266666 863695830 /nfs/dbraw/zinc/69/58/30/863695830.db2.gz VXJIZHOIWLFAHZ-BXKDBHETSA-N 1 0 307.310 1.428 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@@H]3CCC[N@H+](C)[C@@H]3C2)n1 ZINC001157282396 863708545 /nfs/dbraw/zinc/70/85/45/863708545.db2.gz NBWPIYZLELCEHC-GXFFZTMASA-N 1 0 320.349 1.307 20 5 DDBDRO [NH3+]CC[C@H]1CN(c2cc([N+](=O)[O-])cc[n+]2[O-])c2ccccc21 ZINC001157739576 864091067 /nfs/dbraw/zinc/09/10/67/864091067.db2.gz MAIAAIMULQYXDB-NSHDSACASA-N 1 0 300.318 1.812 20 5 DDBDRO Nc1cccc(C[NH+]2CCN(c3cc([N+](=O)[O-])ccn3)CC2)c1 ZINC001158478755 864678815 /nfs/dbraw/zinc/67/88/15/864678815.db2.gz MXJRUWJRJKGEDJ-UHFFFAOYSA-N 1 0 313.361 1.894 20 5 DDBDRO CCOC(=O)C1(Nc2cc(N)c([N+](=O)[O-])cn2)CC[NH+](C)CC1 ZINC001158572527 864740191 /nfs/dbraw/zinc/74/01/91/864740191.db2.gz MTMAPRDAENBVJT-UHFFFAOYSA-N 1 0 323.353 1.011 20 5 DDBDRO Cc1c(C(=O)NC[C@H]2C[NH2+]CCC2(F)F)cccc1[N+](=O)[O-] ZINC001331017685 864778555 /nfs/dbraw/zinc/77/85/55/864778555.db2.gz ORRLMILCBOMIIT-SNVBAGLBSA-N 1 0 313.304 1.878 20 5 DDBDRO O=[N+]([O-])c1cc(Cl)c(Cl)nc1NC[C@@H]1COCC[NH2+]1 ZINC001159042985 865067476 /nfs/dbraw/zinc/06/74/76/865067476.db2.gz NGNHRITZNPCLKO-ZCFIWIBFSA-N 1 0 307.137 1.697 20 5 DDBDRO O=[N+]([O-])c1cnc(Cl)c(C(F)(F)NC[C@H]2COCC[NH2+]2)c1 ZINC001159043953 865069398 /nfs/dbraw/zinc/06/93/98/865069398.db2.gz ZDWNBQLAXYLDTL-ZETCQYMHSA-N 1 0 322.699 1.271 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(N[C@H](C)[C@H]2C[NH2+]CCO2)nc1Cl ZINC001159496596 865348629 /nfs/dbraw/zinc/34/86/29/865348629.db2.gz KKLHVMGPTABAKA-PSASIEDQSA-N 1 0 300.746 1.740 20 5 DDBDRO O=[N+]([O-])c1cc(N[C@H]2C[NH2+]C[C@H]2CO)c2ncnc(Cl)c2c1 ZINC001159681090 865468381 /nfs/dbraw/zinc/46/83/81/865468381.db2.gz CAEMOBJTGVLJKY-CPCISQLKSA-N 1 0 323.740 1.184 20 5 DDBDRO C[C@@H](Nc1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1)c1ncc(F)cn1 ZINC001159967970 865621667 /nfs/dbraw/zinc/62/16/67/865621667.db2.gz KSIXTODKQGKNPP-SSDOTTSWSA-N 1 0 319.300 1.174 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc2cccc(O)c2n1 ZINC001225589614 881922616 /nfs/dbraw/zinc/92/26/16/881922616.db2.gz CTTNUUDJGOIWMG-GFCCVEGCSA-O 1 0 305.354 1.303 20 5 DDBDRO COc1nc(N[C@H]2CC[NH2+]C[C@H]2C(F)(F)F)ccc1[N+](=O)[O-] ZINC001160736501 866086840 /nfs/dbraw/zinc/08/68/40/866086840.db2.gz MHHHTTKZNQRZHF-SFYZADRCSA-N 1 0 320.271 1.951 20 5 DDBDRO Nc1cc([N+](=O)[O-])cnc1N(C1COC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001161280265 866488871 /nfs/dbraw/zinc/48/88/71/866488871.db2.gz CUTOTPBEJAYCFA-MGCOHNPYSA-N 1 0 307.354 1.047 20 5 DDBDRO O=[N+]([O-])c1cnc(NC2CCN([C@@H]3CC[NH2+]C3)CC2)c(F)c1 ZINC001161464316 866685694 /nfs/dbraw/zinc/68/56/94/866685694.db2.gz KNMDAMHDPVUFEC-LLVKDONJSA-N 1 0 309.345 1.367 20 5 DDBDRO C[NH+](C)CC(=O)N[C@H]1CC[C@H](Nc2cccc([N+](=O)[O-])n2)CC1 ZINC001161666037 866861314 /nfs/dbraw/zinc/86/13/14/866861314.db2.gz LYDWXXMVADOJRH-HAQNSBGRSA-N 1 0 321.381 1.391 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001334111559 867304633 /nfs/dbraw/zinc/30/46/33/867304633.db2.gz VQFUAHYIAXTKMY-VXGBXAGGSA-N 1 0 323.397 1.336 20 5 DDBDRO [NH3+]Cc1nc2cnccc2n1-c1ncc(Cl)cc1[N+](=O)[O-] ZINC001162214497 867341878 /nfs/dbraw/zinc/34/18/78/867341878.db2.gz HTZCFJDEXWXVLF-UHFFFAOYSA-N 1 0 304.697 1.836 20 5 DDBDRO COc1nc(C)nc(N2C[C@@H]([NH3+])Cc3ccccc32)c1[N+](=O)[O-] ZINC001162845798 867862820 /nfs/dbraw/zinc/86/28/20/867862820.db2.gz VVBIGKZMCYDMBL-NSHDSACASA-N 1 0 315.333 1.723 20 5 DDBDRO COc1nc(C)c(N[C@H]2COCCC23C[NH2+]C3)cc1[N+](=O)[O-] ZINC001163072411 868055079 /nfs/dbraw/zinc/05/50/79/868055079.db2.gz ITNQRASPKWYCCR-LBPRGKRZSA-N 1 0 308.338 1.097 20 5 DDBDRO COc1cc(C)c([N+](=O)[O-])cc1N[C@H]1COCCC12C[NH2+]C2 ZINC001163073405 868057325 /nfs/dbraw/zinc/05/73/25/868057325.db2.gz OIJJESVQNCOACO-AWEZNQCLSA-N 1 0 307.350 1.702 20 5 DDBDRO O=[N+]([O-])c1c[nH]c2nc(NCC[C@@H]3CCOC34C[NH2+]C4)ccc12 ZINC001163082459 868069363 /nfs/dbraw/zinc/06/93/63/868069363.db2.gz RRMVSBXHKBLXHP-SNVBAGLBSA-N 1 0 317.349 1.652 20 5 DDBDRO Cc1c(F)cnc(NCC[C@H]2CCOC23C[NH2+]C3)c1[N+](=O)[O-] ZINC001163082982 868072419 /nfs/dbraw/zinc/07/24/19/868072419.db2.gz WYBAUAGGLRDVMG-JTQLQIEISA-N 1 0 310.329 1.618 20 5 DDBDRO O=[N+]([O-])c1cnc2ccc(NCC[C@@H]3CCOC34C[NH2+]C4)cn21 ZINC001163089921 868077631 /nfs/dbraw/zinc/07/76/31/868077631.db2.gz ONAVVVVMOCHVIC-LLVKDONJSA-N 1 0 317.349 1.423 20 5 DDBDRO Cc1c(F)cnc(N[C@@H]2CCO[C@]3(CC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC001163310371 868339134 /nfs/dbraw/zinc/33/91/34/868339134.db2.gz LAEOGUJTCNVIJG-QMTHXVAHSA-N 1 0 310.329 1.760 20 5 DDBDRO COc1cccc([C@@H](C[NH3+])Nc2ncc([N+](=O)[O-])c(C)n2)c1 ZINC001163311437 868341680 /nfs/dbraw/zinc/34/16/80/868341680.db2.gz FCXAUMVLXKVUJT-GFCCVEGCSA-N 1 0 303.322 1.814 20 5 DDBDRO COc1ncnc(N[C@H]2CC[N@@H+](C(C)C)C[C@@H]2C)c1[N+](=O)[O-] ZINC001163361651 868395880 /nfs/dbraw/zinc/39/58/80/868395880.db2.gz JYHWABWIEFKTKG-QWRGUYRKSA-N 1 0 309.370 1.924 20 5 DDBDRO COc1cc([N+](=O)[O-])cnc1NCC1([NH+](C)C)CCN(C)CC1 ZINC001164206384 869010409 /nfs/dbraw/zinc/01/04/09/869010409.db2.gz OKRNTPXXSPAZMZ-UHFFFAOYSA-N 1 0 323.397 1.436 20 5 DDBDRO COc1nc(C)c([N+](=O)[O-])c(N2CCC[C@@](C)(C[NH3+])CC2)n1 ZINC001164248194 869057419 /nfs/dbraw/zinc/05/74/19/869057419.db2.gz SJUIBLAYRNNODZ-CQSZACIVSA-N 1 0 309.370 1.657 20 5 DDBDRO CC[N+](C)(C)Cc1ccccc1N[C@@H]1CN[C@H](C(=O)OC)C1 ZINC001164308743 869113017 /nfs/dbraw/zinc/11/30/17/869113017.db2.gz RAYVYHJBXZBCLR-HOCLYGCPSA-N 1 0 306.430 1.598 20 5 DDBDRO COC(=O)c1ccnc(N2CC[NH+](C(C)(C)C)CC2)c1[N+](=O)[O-] ZINC001165091498 869370129 /nfs/dbraw/zinc/37/01/29/869370129.db2.gz RPIUYKTZFDNBMC-UHFFFAOYSA-N 1 0 322.365 1.697 20 5 DDBDRO CO[C@H]1CN(C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)C[C@H]1[NH3+] ZINC001165204561 869427162 /nfs/dbraw/zinc/42/71/62/869427162.db2.gz MWFLHDQIOVYQIP-SVRRBLITSA-N 1 0 322.699 1.350 20 5 DDBDRO O=C(N[C@@H]1C[NH+]2CCC1CC2)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001337411947 869476078 /nfs/dbraw/zinc/47/60/78/869476078.db2.gz ZNSHHNDYHDGVAE-ARFHVFGLSA-N 1 0 315.373 1.909 20 5 DDBDRO O=C(Cc1ccc(F)cc1[N+](=O)[O-])N[C@@H]1C[NH+]2CCC1CC2 ZINC001337410119 869476480 /nfs/dbraw/zinc/47/64/80/869476480.db2.gz OLVXGUPMUOFCBY-CYBMUJFWSA-N 1 0 307.325 1.487 20 5 DDBDRO COc1cc(-n2c(C)nc3c2CC[NH2+]CC3)ncc1[N+](=O)[O-] ZINC001165352558 869540054 /nfs/dbraw/zinc/54/00/54/869540054.db2.gz CARIEQUIVSJLJD-UHFFFAOYSA-N 1 0 303.322 1.181 20 5 DDBDRO Cc1nocc1C(=O)NCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001165667299 869673565 /nfs/dbraw/zinc/67/35/65/869673565.db2.gz VFZTVEUKZFQBPY-UHFFFAOYSA-N 1 0 324.362 1.862 20 5 DDBDRO C[C@H](CNC(=O)N[C@@H]1C[NH2+]C[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC001338673076 870108858 /nfs/dbraw/zinc/10/88/58/870108858.db2.gz KKTZPKQCRDVQBH-NQBHXWOUSA-N 1 0 306.366 1.605 20 5 DDBDRO COc1cc2ncnc(N3CCC([NH3+])CC3)c2cc1[N+](=O)[O-] ZINC001166662508 870136169 /nfs/dbraw/zinc/13/61/69/870136169.db2.gz VFWSUXZTMGHTHC-UHFFFAOYSA-N 1 0 303.322 1.474 20 5 DDBDRO CCOc1nc(N2CC[C@@H]([NH3+])C(F)(F)C2)ccc1[N+](=O)[O-] ZINC001166958589 870420011 /nfs/dbraw/zinc/42/00/11/870420011.db2.gz GAVHYUDGIVUVTR-SECBINFHSA-N 1 0 302.281 1.561 20 5 DDBDRO CC[C@@H](CNc1ccc2ncc([N+](=O)[O-])n2n1)[NH+]1CCCC1 ZINC001339534311 870543946 /nfs/dbraw/zinc/54/39/46/870543946.db2.gz SOVMTIOWQHNYIF-NSHDSACASA-N 1 0 304.354 1.924 20 5 DDBDRO COc1ccc(CNC(=O)[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)cc1[N+](=O)[O-] ZINC001339994872 870827443 /nfs/dbraw/zinc/82/74/43/870827443.db2.gz IPYZVWFQXAQNBC-QJPTWQEYSA-N 1 0 305.334 1.360 20 5 DDBDRO C[N@H+](CCCc1ccsc1)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001317448489 870858200 /nfs/dbraw/zinc/85/82/00/870858200.db2.gz UWPQDKPVMGSILE-CHWSQXEVSA-N 1 0 311.407 1.394 20 5 DDBDRO C[NH2+]CCN(C)C(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 ZINC001340263558 870994833 /nfs/dbraw/zinc/99/48/33/870994833.db2.gz ZIORJOVAVBBNMO-UHFFFAOYSA-N 1 0 317.349 1.131 20 5 DDBDRO C[NH+](C)[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C1(C)C ZINC001306860778 871369266 /nfs/dbraw/zinc/36/92/66/871369266.db2.gz XVRQUYDZVWIVEY-QWRGUYRKSA-N 1 0 308.338 1.154 20 5 DDBDRO CCC(=O)c1ccc(N2CC([NH2+][C@@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC001307217766 871410088 /nfs/dbraw/zinc/41/00/88/871410088.db2.gz RJNJEKZFHMCCFR-GFCCVEGCSA-N 1 0 319.361 1.755 20 5 DDBDRO CCOc1cc(N2CC([NH2+]C3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC001307209345 871411146 /nfs/dbraw/zinc/41/11/46/871411146.db2.gz ZVERRXXGCGMDEK-UHFFFAOYSA-N 1 0 321.377 1.951 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](CC[NH3+])C1 ZINC001341238140 871571147 /nfs/dbraw/zinc/57/11/47/871571147.db2.gz XSCWJJDJSRNNSM-NSHDSACASA-N 1 0 306.366 1.472 20 5 DDBDRO C[C@@H]1CN(C(=O)CCc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1[NH3+] ZINC001341256970 871580023 /nfs/dbraw/zinc/58/00/23/871580023.db2.gz MIVTXUPYQFZJTG-NOZJJQNGSA-N 1 0 311.769 1.986 20 5 DDBDRO CC(C)[N@H+](C)CC1CCN(c2nnc([C@@H](C)[N+](=O)[O-])n2C)CC1 ZINC001341358557 871619389 /nfs/dbraw/zinc/61/93/89/871619389.db2.gz IHYNNEIVYHFRGY-GFCCVEGCSA-N 1 0 324.429 1.709 20 5 DDBDRO CO[C@@H]1C[NH2+][C@](C)(C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC001342594131 872286424 /nfs/dbraw/zinc/28/64/24/872286424.db2.gz ZDWLOAWFPFKNLC-XEGUGMAKSA-N 1 0 307.350 1.539 20 5 DDBDRO CN(C(=O)CCCNc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001342798813 872387351 /nfs/dbraw/zinc/38/73/51/872387351.db2.gz VPSJWQJJDATBFZ-FOLVSLTJSA-N 1 0 318.377 1.463 20 5 DDBDRO CCC(=O)NCC1([NH2+]Cc2c([N+](=O)[O-])ncn2C)CCCC1 ZINC001319331744 872582052 /nfs/dbraw/zinc/58/20/52/872582052.db2.gz OFGQTUYDYLPTIU-UHFFFAOYSA-N 1 0 309.370 1.257 20 5 DDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCC2(C[NH2+]C2)CC1 ZINC001343945880 872815981 /nfs/dbraw/zinc/81/59/81/872815981.db2.gz PTFWFHBEZAFQJB-UHFFFAOYSA-N 1 0 304.350 1.462 20 5 DDBDRO O=C(CNc1ccccc1[N+](=O)[O-])NCC[C@@H]1CCC[NH2+]CC1 ZINC001346497307 873777262 /nfs/dbraw/zinc/77/72/62/873777262.db2.gz ZYVABEGBFUTWTC-CYBMUJFWSA-N 1 0 320.393 1.903 20 5 DDBDRO Cc1cccc(C(=O)N2CC[C@@](O)(C[NH+](C)C)C2)c1[N+](=O)[O-] ZINC001347932688 874309427 /nfs/dbraw/zinc/30/94/27/874309427.db2.gz WJCMMXXAFVMBFA-OAHLLOKOSA-N 1 0 307.350 1.042 20 5 DDBDRO Cc1c(C(=O)NCC[C@@H]2CSCC[NH2+]2)cccc1[N+](=O)[O-] ZINC001353948050 877658079 /nfs/dbraw/zinc/65/80/79/877658079.db2.gz AUOMDVKIPHKEPW-LLVKDONJSA-N 1 0 309.391 1.728 20 5 DDBDRO Nc1cc2nc3ccccc3nc2cc1NC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC001218856333 877768951 /nfs/dbraw/zinc/76/89/51/877768951.db2.gz BKJJUMAXTAQZLA-JDNHERCYSA-N 1 0 323.356 1.027 20 5 DDBDRO CNC(=O)c1ccc(N[C@@H]2CC[C@@H]3C[N@H+](C)C[C@@H]23)c([N+](=O)[O-])c1 ZINC001354400835 877952909 /nfs/dbraw/zinc/95/29/09/877952909.db2.gz LZAATGFZRANWCD-JHJVBQTASA-N 1 0 318.377 1.707 20 5 DDBDRO COC[C@@]1(C(=O)NC[C@H](C)c2ccccc2[N+](=O)[O-])CC[NH2+]C1 ZINC001355315463 878495932 /nfs/dbraw/zinc/49/59/32/878495932.db2.gz GJMQPNBQCIOIJC-BLLLJJGKSA-N 1 0 321.377 1.441 20 5 DDBDRO C[C@@H]1CN(C(=O)CCOc2ccccc2[N+](=O)[O-])C[C@H]1CC[NH3+] ZINC001358094003 880325156 /nfs/dbraw/zinc/32/51/56/880325156.db2.gz KRUGCSJVZQFWHT-CHWSQXEVSA-N 1 0 321.377 1.807 20 5 DDBDRO Cc1cccc(COC(=O)C[C@@H](O)C[N+](C)(C)C)c1[N+](=O)[O-] ZINC001223661377 881049792 /nfs/dbraw/zinc/04/97/92/881049792.db2.gz PDDPVLGUZMQPBP-CYBMUJFWSA-N 1 0 311.358 1.404 20 5 DDBDRO CCOC(=O)c1cc(Cl)nnc1O[C@H](C)C[N+](C)(C)C ZINC001227959628 883256977 /nfs/dbraw/zinc/25/69/77/883256977.db2.gz AGNXWJYCGQEONF-SECBINFHSA-N 1 0 302.782 1.780 20 5 DDBDRO CCOCC(=O)NCCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001231406395 885619846 /nfs/dbraw/zinc/61/98/46/885619846.db2.gz FAYQDHQBXJIXBU-UHFFFAOYSA-N 1 0 309.366 1.569 20 5 DDBDRO Cc1cc2c(cc1F)ncnc2OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001233846567 887382560 /nfs/dbraw/zinc/38/25/60/887382560.db2.gz DOZMGBCIFSHAKW-LLVKDONJSA-N 1 0 322.360 1.440 20 5 DDBDRO COC(=O)c1cnc(O[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)c([N+](=O)[O-])c1 ZINC001233859989 887398929 /nfs/dbraw/zinc/39/89/29/887398929.db2.gz SWLJUEQDXJMDCI-GDNZZTSVSA-N 1 0 321.333 1.780 20 5 DDBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc(COC2CC[NH2+]CC2)n1 ZINC001248074243 893527533 /nfs/dbraw/zinc/52/75/33/893527533.db2.gz QZEXEDCBGGOROD-UHFFFAOYSA-N 1 0 323.284 1.448 20 5 DDBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc(CO[C@@H]2CCC[NH2+]C2)n1 ZINC001249152784 893846422 /nfs/dbraw/zinc/84/64/22/893846422.db2.gz BTAGLNYEUZDDLG-SECBINFHSA-N 1 0 323.284 1.448 20 5 DDBDRO C[C@@]1(CO)CCC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC001254545140 896496742 /nfs/dbraw/zinc/49/67/42/896496742.db2.gz JEBJSZLTNZEBCX-XJKSGUPXSA-N 1 0 324.377 1.429 20 5 DDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CCOC[C@@H]1C[NH+](C)C ZINC001254563862 896501970 /nfs/dbraw/zinc/50/19/70/896501970.db2.gz FIVNLCJHSATGLG-ZFWWWQNUSA-N 1 0 307.394 1.788 20 5 DDBDRO CS(=O)(=O)C1(C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCC1 ZINC001254574175 896507499 /nfs/dbraw/zinc/50/74/99/896507499.db2.gz GPNUEKFCRQUYKH-CYBMUJFWSA-N 1 0 324.402 1.619 20 5 DDBDRO C[C@]1(CO)C[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC[C@H]1O ZINC001254593352 896520454 /nfs/dbraw/zinc/52/04/54/896520454.db2.gz LILUJHRMWPUFED-BZUAXINKSA-N 1 0 306.362 1.127 20 5 DDBDRO C[C@]1(CO)CC[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C[C@H]1O ZINC001254592067 896522376 /nfs/dbraw/zinc/52/23/76/896522376.db2.gz ABVXNTGSQXHNHO-BZUAXINKSA-N 1 0 306.362 1.127 20 5 DDBDRO CC(=O)N[C@@H]1CCC[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254600386 896525150 /nfs/dbraw/zinc/52/51/50/896525150.db2.gz PNCYLLMBLZESCU-GDBMZVCRSA-N 1 0 303.362 1.663 20 5 DDBDRO COC(=O)[C@@H]1C[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC12CC2 ZINC001254611166 896533640 /nfs/dbraw/zinc/53/36/40/896533640.db2.gz WPLVLYLUIDFOBV-CABCVRRESA-N 1 0 316.357 1.947 20 5 DDBDRO COc1cc(N2CCC([NH2+]C[C@H](C)CO)CC2)ccc1[N+](=O)[O-] ZINC001256086878 897278632 /nfs/dbraw/zinc/27/86/32/897278632.db2.gz GVNZDXWHGBOAAD-LBPRGKRZSA-N 1 0 323.393 1.790 20 5 DDBDRO COc1cc(N2CCC(N3CC[C@H]([NH3+])C3)CC2)ccc1[N+](=O)[O-] ZINC001256085660 897278877 /nfs/dbraw/zinc/27/88/77/897278877.db2.gz RHXHWJIARJJADB-LBPRGKRZSA-N 1 0 320.393 1.605 20 5 DDBDRO C[C@@H]1C[C@H]1[C@@H]1C[C@H]1NC(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC001263196238 900529069 /nfs/dbraw/zinc/52/90/69/900529069.db2.gz MMHCCWNCDIUMLE-PBVFJORSSA-N 1 0 303.362 1.929 20 5 DDBDRO Cc1ccc(C(=O)N2CCC(OC3C[NH2+]C3)CC2)cc1[N+](=O)[O-] ZINC001263282171 900555812 /nfs/dbraw/zinc/55/58/12/900555812.db2.gz SYWUNZOMFVELIA-UHFFFAOYSA-N 1 0 319.361 1.496 20 5 DDBDRO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)[C@@H](O)c3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC001263996118 900864942 /nfs/dbraw/zinc/86/49/42/900864942.db2.gz STGZXTBJEIJNCO-MXAVVETBSA-N 1 0 319.361 1.085 20 5 DDBDRO O=C(NCCC[N@H+](C/C=C\Cl)C1CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001266135588 903001878 /nfs/dbraw/zinc/00/18/78/903001878.db2.gz PVGJQEHPGTVEHL-ZQTMTMAVSA-N 1 0 301.774 1.375 20 5 DDBDRO Cc1c(CC(=O)N[C@H]2C[N@@H+](C)CC2(C)C)cccc1[N+](=O)[O-] ZINC001303989922 903188408 /nfs/dbraw/zinc/18/84/08/903188408.db2.gz UMNAGWXHERRSBP-AWEZNQCLSA-N 1 0 305.378 1.902 20 5 DDBDRO O=C(NCC1([NH2+]CCc2ccccc2)CCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001280480328 903723519 /nfs/dbraw/zinc/72/35/19/903723519.db2.gz KKJJQMJVNVIESV-HUUCEWRRSA-N 1 0 317.389 1.523 20 5 DDBDRO CC(C)CC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2c([N+](=O)[O-])ncn2C)C1 ZINC001316609160 904613101 /nfs/dbraw/zinc/61/31/01/904613101.db2.gz JFHMCMXDSQUISA-TXEJJXNPSA-N 1 0 323.397 1.359 20 5 DDBDRO C[N@@H+]1CC[C@@](O)(CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000358069429 299066363 /nfs/dbraw/zinc/06/63/63/299066363.db2.gz STLAZIRADNYYRG-CYBMUJFWSA-N 1 0 313.741 1.045 20 5 DDBDRO CCc1n[nH]c(C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000278571659 214245909 /nfs/dbraw/zinc/24/59/09/214245909.db2.gz KNSRYTXLAWUNOK-ZJUUUORDSA-N 1 0 309.370 1.435 20 5 DDBDRO CC[C@]1(O)CC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000495197630 529444188 /nfs/dbraw/zinc/44/41/88/529444188.db2.gz YJPOVWAXXCQHNF-HOCLYGCPSA-N 1 0 319.361 1.547 20 5 DDBDRO CCOc1ccc([C@H](C)NC[C@@H](O)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000153667142 290649944 /nfs/dbraw/zinc/64/99/44/290649944.db2.gz SZUHGZYVQCRGRR-WCQYABFASA-N 1 0 311.382 1.567 20 5 DDBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000437588127 282224357 /nfs/dbraw/zinc/22/43/57/282224357.db2.gz HZYYVUBIDIQNLH-SWHYSGLUSA-N 1 0 322.365 1.247 20 5 DDBDRO CC(C)(C)[C@H](CCO)[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000181456603 199299372 /nfs/dbraw/zinc/29/93/72/199299372.db2.gz IUELUWKRLAEKLJ-ZDUSSCGKSA-N 1 0 309.366 1.920 20 5 DDBDRO C[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C[C@@H]1CCC[C@@H]1O ZINC000305358541 529984260 /nfs/dbraw/zinc/98/42/60/529984260.db2.gz SOPUEKVHUQRGKX-JSGCOSHPSA-N 1 0 307.350 1.287 20 5 DDBDRO C[NH2+]C[C@@H]1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000414652771 529992574 /nfs/dbraw/zinc/99/25/74/529992574.db2.gz HFEMEWUUMSXTTN-JTQLQIEISA-N 1 0 308.338 1.677 20 5 DDBDRO COc1ccc(C[NH2+]CCC2CS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000615728157 362417360 /nfs/dbraw/zinc/41/73/60/362417360.db2.gz HQADMXABILGLCZ-UHFFFAOYSA-N 1 0 314.363 1.128 20 5 DDBDRO CN1CC[NH+](CCC(C)(C)Nc2ncc([N+](=O)[O-])cn2)CC1 ZINC000302233151 530072179 /nfs/dbraw/zinc/07/21/79/530072179.db2.gz CZOMYSUHCIPIMJ-UHFFFAOYSA-N 1 0 308.386 1.213 20 5 DDBDRO C[C@@H](CNc1cccc(C(N)=O)c1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000341724033 282472663 /nfs/dbraw/zinc/47/26/63/282472663.db2.gz UXRCBAAAKDCFMW-NSHDSACASA-N 1 0 306.366 1.838 20 5 DDBDRO C[C@H]([NH2+]CCCNS(C)(=O)=O)c1ccc([N+](=O)[O-])cc1 ZINC000121262619 185773299 /nfs/dbraw/zinc/77/32/99/185773299.db2.gz VHLRUAWPKVOSRM-JTQLQIEISA-N 1 0 301.368 1.185 20 5 DDBDRO CC[C@]1([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CCOC1 ZINC000616866082 362854048 /nfs/dbraw/zinc/85/40/48/362854048.db2.gz LTRDYARFJVQDRP-WFASDCNBSA-N 1 0 310.350 1.493 20 5 DDBDRO CN(C)CC(C)(C)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000459550698 233303504 /nfs/dbraw/zinc/30/35/04/233303504.db2.gz QDYKMJJOZILZKL-GFCCVEGCSA-N 1 0 311.382 1.264 20 5 DDBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CC[C@@H](O)C3)o2)c1 ZINC000152473120 186076713 /nfs/dbraw/zinc/07/67/13/186076713.db2.gz CVIKAMVRXSSHBD-CYBMUJFWSA-N 1 0 303.318 1.859 20 5 DDBDRO CC(C)[N@H+]1C[C@H](NC(=O)Cc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000155698634 186104361 /nfs/dbraw/zinc/10/43/61/186104361.db2.gz QIDCXTLBTPEKTI-JSGCOSHPSA-N 1 0 305.378 1.982 20 5 DDBDRO C[C@@H](C[NH3+])N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000237492534 186297279 /nfs/dbraw/zinc/29/72/79/186297279.db2.gz PBFBXDMZFLNPGR-ZETCQYMHSA-N 1 0 307.759 1.216 20 5 DDBDRO COc1cc(C(=O)NC[C@H]2CCC[N@@H+]2C)cc([N+](=O)[O-])c1OC ZINC000265975346 186344529 /nfs/dbraw/zinc/34/45/29/186344529.db2.gz XBFJPTWTYRPIPH-LLVKDONJSA-N 1 0 323.349 1.436 20 5 DDBDRO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCC[C@H](OCCO)C2)cc1 ZINC000172293473 198072753 /nfs/dbraw/zinc/07/27/53/198072753.db2.gz SWXXYFDCEJVILC-INIZCTEOSA-N 1 0 324.377 1.837 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(O)CC1 ZINC000026227998 352206994 /nfs/dbraw/zinc/20/69/94/352206994.db2.gz XAYXAQYKMPFAAQ-UHFFFAOYSA-N 1 0 323.349 1.389 20 5 DDBDRO O=C(NCC[NH+]1CCCCC1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000044525984 352387400 /nfs/dbraw/zinc/38/74/00/352387400.db2.gz ISYOMIVXCMSYHW-UHFFFAOYSA-N 1 0 321.333 1.539 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH+]2CCC(CO)CC2)c1 ZINC000046090530 352436881 /nfs/dbraw/zinc/43/68/81/352436881.db2.gz CFVLOGNVQCFNCJ-AWEZNQCLSA-N 1 0 310.350 1.039 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000046996830 352475548 /nfs/dbraw/zinc/47/55/48/352475548.db2.gz UWLQOFPMZNTXFY-ZIAGYGMSSA-N 1 0 304.350 1.655 20 5 DDBDRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@H]1C[C@H]1[N+](=O)[O-] ZINC000047268318 352488723 /nfs/dbraw/zinc/48/87/23/352488723.db2.gz JNTCTNCQJGDGEI-LSDHHAIUSA-N 1 0 303.362 1.432 20 5 DDBDRO CN1CCC([NH+]2CCC(Nc3ccc([N+](=O)[O-])cn3)CC2)CC1 ZINC000050954303 352574338 /nfs/dbraw/zinc/57/43/38/352574338.db2.gz WSEVZVHVWNSXJL-UHFFFAOYSA-N 1 0 319.409 1.960 20 5 DDBDRO CN(C)C(=O)CC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000052844761 352627379 /nfs/dbraw/zinc/62/73/79/352627379.db2.gz UGFRBEONKXIOAM-UHFFFAOYSA-N 1 0 306.366 1.195 20 5 DDBDRO CC[NH+](CC)[C@H]1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000072835294 191236451 /nfs/dbraw/zinc/23/64/51/191236451.db2.gz ZFDCZQDWIKPUAP-ZDUSSCGKSA-N 1 0 320.393 1.949 20 5 DDBDRO C[C@H](CNC(=O)COc1ccccc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000055538754 352736746 /nfs/dbraw/zinc/73/67/46/352736746.db2.gz HRYXIHYPDFLMRF-CYBMUJFWSA-N 1 0 321.377 1.822 20 5 DDBDRO O=C(CCn1cc([N+](=O)[O-])cn1)NCC[NH+]1CCCCCC1 ZINC000066044828 352974515 /nfs/dbraw/zinc/97/45/15/352974515.db2.gz BVZLALHIRLNFBI-UHFFFAOYSA-N 1 0 309.370 1.174 20 5 DDBDRO C[C@H](CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)[NH+](C)C ZINC000065843657 352965385 /nfs/dbraw/zinc/96/53/85/352965385.db2.gz HCNHVTFVARTVNP-LLVKDONJSA-N 1 0 304.350 1.616 20 5 DDBDRO C[C@H](CNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)[NH+](C)C ZINC000067162002 353036598 /nfs/dbraw/zinc/03/65/98/353036598.db2.gz HGBOIRIFEKBJSP-LLVKDONJSA-N 1 0 317.349 1.460 20 5 DDBDRO C[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CC1 ZINC000067105801 353033773 /nfs/dbraw/zinc/03/37/73/353033773.db2.gz LGQCSKUUODNLIB-UHFFFAOYSA-N 1 0 321.333 1.190 20 5 DDBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)[NH+](C)C ZINC000066611841 353007673 /nfs/dbraw/zinc/00/76/73/353007673.db2.gz IXIWCJUPPBEODR-SECBINFHSA-N 1 0 309.322 1.046 20 5 DDBDRO C[NH+](C)[C@H]1CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000068340623 353105022 /nfs/dbraw/zinc/10/50/22/353105022.db2.gz YIMVXIORNIVOFX-JTQLQIEISA-N 1 0 310.329 1.482 20 5 DDBDRO C[C@@H](CNC(=O)COc1ccc([N+](=O)[O-])cc1)[NH+]1CCCC1 ZINC000068065080 353084761 /nfs/dbraw/zinc/08/47/61/353084761.db2.gz QLWFMIGEBMPMSB-LBPRGKRZSA-N 1 0 307.350 1.574 20 5 DDBDRO C[C@@H](O)CC[N@H+](C)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000072714448 353210638 /nfs/dbraw/zinc/21/06/38/353210638.db2.gz JRSVQZPDZCJNEG-BXUZGUMPSA-N 1 0 307.350 1.403 20 5 DDBDRO CCC1(O)CC[NH+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000075859137 353383105 /nfs/dbraw/zinc/38/31/05/353383105.db2.gz RUQJBQMIXAZFMF-CQSZACIVSA-N 1 0 324.377 1.571 20 5 DDBDRO C[C@@H](c1cccs1)[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174752882 198380288 /nfs/dbraw/zinc/38/02/88/198380288.db2.gz JXKPKNZWVOZHHW-JQWIXIFHSA-N 1 0 310.379 1.907 20 5 DDBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNc2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000076800576 353439225 /nfs/dbraw/zinc/43/92/25/353439225.db2.gz POHPUKSGYRAKNO-GHMZBOCLSA-N 1 0 308.386 1.747 20 5 DDBDRO CC[NH+]1CCN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000078605337 353523848 /nfs/dbraw/zinc/52/38/48/353523848.db2.gz SPVWELIRUHFOKU-CYBMUJFWSA-N 1 0 320.393 1.868 20 5 DDBDRO CC[NH+](CC)C[C@@H](C)NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000080253892 353599139 /nfs/dbraw/zinc/59/91/39/353599139.db2.gz ZNGDKFNXTDMTRO-CYBMUJFWSA-N 1 0 322.409 1.878 20 5 DDBDRO Cc1c(NC(=O)CC[N@H+]2CC[C@@H](C)[C@H](O)C2)cccc1[N+](=O)[O-] ZINC000093333211 353895240 /nfs/dbraw/zinc/89/52/40/353895240.db2.gz RFDFFFVWCCRSRD-IAQYHMDHSA-N 1 0 321.377 1.935 20 5 DDBDRO Nc1c(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)cc(F)cc1[N+](=O)[O-] ZINC000108297130 353948523 /nfs/dbraw/zinc/94/85/23/353948523.db2.gz AKIFPYRRZNTZAA-LLVKDONJSA-N 1 0 322.340 1.530 20 5 DDBDRO [NH3+][C@H]1CCC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000125009500 354043285 /nfs/dbraw/zinc/04/32/85/354043285.db2.gz PRCCCBBQGAKXNO-YUMQZZPRSA-N 1 0 305.381 1.205 20 5 DDBDRO O=C1NCCN1[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000139008275 354124752 /nfs/dbraw/zinc/12/47/52/354124752.db2.gz MGUNDAUQICQWRY-CQSZACIVSA-N 1 0 304.350 1.584 20 5 DDBDRO C[NH+](C)[C@H]1CCCN(C(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000277038437 213255344 /nfs/dbraw/zinc/25/53/44/213255344.db2.gz GJIACAPEFIGGRM-NSHDSACASA-N 1 0 307.354 1.938 20 5 DDBDRO C[C@@H]1C[C@H]([NH3+])CCN1S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000156156852 354217450 /nfs/dbraw/zinc/21/74/50/354217450.db2.gz KTHKCMPIYJYFLC-ZYHUDNBSSA-N 1 0 313.379 1.236 20 5 DDBDRO CC[N@@H+]1CCC[C@@H](CNc2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000357228402 291022021 /nfs/dbraw/zinc/02/20/21/291022021.db2.gz XFPYEENAMHGNRT-JTQLQIEISA-N 1 0 307.354 1.233 20 5 DDBDRO [NH3+][C@H]1CCC[C@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000275497652 354412560 /nfs/dbraw/zinc/41/25/60/354412560.db2.gz BQENQROCUHWBCN-RYUDHWBXSA-N 1 0 307.350 1.750 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCC[C@@H](CO)CC2)c1 ZINC000293114305 354454178 /nfs/dbraw/zinc/45/41/78/354454178.db2.gz LVKSBXOYNPTBIA-UKRRQHHQSA-N 1 0 324.377 1.429 20 5 DDBDRO COCC[N@H+](C)C[C@@H](O)COc1ccc(F)cc1[N+](=O)[O-] ZINC000314680319 354487958 /nfs/dbraw/zinc/48/79/58/354487958.db2.gz KEDSNWKMENDEPL-LLVKDONJSA-N 1 0 302.302 1.052 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@@H]2C[N@@H+](C)C[C@H]21 ZINC000590010371 355039084 /nfs/dbraw/zinc/03/90/84/355039084.db2.gz CIDCVFWUCWCRRI-IUODEOHRSA-N 1 0 318.377 1.478 20 5 DDBDRO C[C@H]1[C@H]([NH+](C)C)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000590590142 355122186 /nfs/dbraw/zinc/12/21/86/355122186.db2.gz TWGDHKQQFIQTSS-GXFFZTMASA-N 1 0 313.379 1.308 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC000590443742 355097688 /nfs/dbraw/zinc/09/76/88/355097688.db2.gz GYHRDEWGBRZYHY-GWCFXTLKSA-N 1 0 305.334 1.380 20 5 DDBDRO COc1cccc(C(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)c1[N+](=O)[O-] ZINC000590447420 355099810 /nfs/dbraw/zinc/09/98/10/355099810.db2.gz XDCSNEKQAIPBIM-JQWIXIFHSA-N 1 0 305.334 1.380 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@H]1CCC[NH2+]CC1 ZINC000591346282 355293507 /nfs/dbraw/zinc/29/35/07/355293507.db2.gz IDPMAIOVYNVJRG-LBPRGKRZSA-N 1 0 322.365 1.545 20 5 DDBDRO C[C@]1(CNC(=O)NCc2cccc([N+](=O)[O-])c2)CCC[NH2+]C1 ZINC000591348343 355294401 /nfs/dbraw/zinc/29/44/01/355294401.db2.gz VBEMHNUPPMAJPC-HNNXBMFYSA-N 1 0 306.366 1.784 20 5 DDBDRO CN(C(=O)CN1CC[C@H]2CC[NH2+][C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000591449569 355314316 /nfs/dbraw/zinc/31/43/16/355314316.db2.gz WIPYJIDGGGRDRF-DOMZBBRYSA-N 1 0 318.377 1.241 20 5 DDBDRO C[C@@H]1C[C@@H](CO)C[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000591505194 355322242 /nfs/dbraw/zinc/32/22/42/355322242.db2.gz DOKXVNXAAOMFOI-VXGBXAGGSA-N 1 0 322.361 1.816 20 5 DDBDRO C[C@@H]([NH3+])CNC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000591304716 355285720 /nfs/dbraw/zinc/28/57/20/355285720.db2.gz HPVBLJBLJQAQBQ-SECBINFHSA-N 1 0 322.365 1.294 20 5 DDBDRO Cc1cccnc1C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000591734478 355374526 /nfs/dbraw/zinc/37/45/26/355374526.db2.gz CFLKHDDBTRCINK-AWEZNQCLSA-N 1 0 317.345 1.828 20 5 DDBDRO O=[N+]([O-])c1cccc(CC[NH2+]C[C@@H](O)COC2CCOCC2)c1 ZINC000591758024 355378541 /nfs/dbraw/zinc/37/85/41/355378541.db2.gz KVWDETJOTCWAMJ-OAHLLOKOSA-N 1 0 324.377 1.283 20 5 DDBDRO CC[C@@H]1CN(C(=O)CCn2nc(C)c([N+](=O)[O-])c2C)CC[C@H]1[NH3+] ZINC000592332906 355561339 /nfs/dbraw/zinc/56/13/39/355561339.db2.gz ROLDDGQGTHANAY-CHWSQXEVSA-N 1 0 323.397 1.384 20 5 DDBDRO CC[C@@H]1CN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC[C@H]1[NH3+] ZINC000592330543 355560505 /nfs/dbraw/zinc/56/05/05/355560505.db2.gz BZQYOKKRKFFVJL-BXKDBHETSA-N 1 0 317.349 1.671 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N(C)CCC[NH3+] ZINC000592473924 355593917 /nfs/dbraw/zinc/59/39/17/355593917.db2.gz VJYOMGHNPMPSQJ-SNVBAGLBSA-N 1 0 310.354 1.211 20 5 DDBDRO CC[C@@H]1CN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000592486188 355596264 /nfs/dbraw/zinc/59/62/64/355596264.db2.gz YOUIANVAXQASEI-YWPYICTPSA-N 1 0 320.393 1.981 20 5 DDBDRO CC[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC[C@H]1[NH3+] ZINC000592382227 355571125 /nfs/dbraw/zinc/57/11/25/355571125.db2.gz HTUVUAPRPZWZCZ-RKDXNWHRSA-N 1 0 319.408 1.404 20 5 DDBDRO C[NH2+]C[C@@H]1CCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000592428509 355580089 /nfs/dbraw/zinc/58/00/89/355580089.db2.gz VEEYAUCFIILRQR-NSHDSACASA-N 1 0 307.350 1.407 20 5 DDBDRO O=C(CC[NH2+]CC1(CO)CCC1)Nc1ccccc1[N+](=O)[O-] ZINC000592430188 355580999 /nfs/dbraw/zinc/58/09/99/355580999.db2.gz HMEYIBOMPYKRKH-UHFFFAOYSA-N 1 0 307.350 1.676 20 5 DDBDRO COC(=O)c1cc(C(=O)N[C@H](C)C[C@@H](C)[NH3+])cc([N+](=O)[O-])c1 ZINC000592568527 355631662 /nfs/dbraw/zinc/63/16/62/355631662.db2.gz VQALRRUGCKKDIS-RKDXNWHRSA-N 1 0 309.322 1.237 20 5 DDBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000592568439 355631812 /nfs/dbraw/zinc/63/18/12/355631812.db2.gz KJZWMVGHZFHVFR-DTWKUNHWSA-N 1 0 309.322 1.222 20 5 DDBDRO CCCN(C(=O)c1cc([N+](=O)[O-])cnc1C)[C@@H]1CC[N@H+](C)C1 ZINC000592830344 355706199 /nfs/dbraw/zinc/70/61/99/355706199.db2.gz DJJVALJBIXTAHP-GFCCVEGCSA-N 1 0 306.366 1.855 20 5 DDBDRO CCCN(C(=O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C)C1 ZINC000592832131 355707009 /nfs/dbraw/zinc/70/70/09/355707009.db2.gz QUGPRRLZWWNPNH-CQSZACIVSA-N 1 0 321.377 1.916 20 5 DDBDRO C[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)C[C@@H](C)[NH+]1C ZINC000358724206 299233143 /nfs/dbraw/zinc/23/31/43/299233143.db2.gz MSQULGKJPUQHHG-GHMZBOCLSA-N 1 0 309.341 1.827 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@](C)(CO)C(C)C)c1 ZINC000593028617 355774623 /nfs/dbraw/zinc/77/46/23/355774623.db2.gz IIINGUNVTVHPPE-HNNXBMFYSA-N 1 0 310.350 1.878 20 5 DDBDRO CC[C@@H]1COC(C)(C)C[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000593056742 355782894 /nfs/dbraw/zinc/78/28/94/355782894.db2.gz OLCVDUASFLFFDJ-YPMHNXCESA-N 1 0 312.370 1.042 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@H](C)CCO ZINC000593108164 355801191 /nfs/dbraw/zinc/80/11/91/355801191.db2.gz UNHPRRAIAGDRHK-GFCCVEGCSA-N 1 0 309.366 1.935 20 5 DDBDRO O=[N+]([O-])c1cnc2ccccc2c1N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000593503319 355905654 /nfs/dbraw/zinc/90/56/54/355905654.db2.gz HKXPMRFCSITILV-GFCCVEGCSA-N 1 0 314.345 1.398 20 5 DDBDRO C[NH+]1CCN(CCNc2ccnc3cc([N+](=O)[O-])ccc32)CC1 ZINC000593454899 355890902 /nfs/dbraw/zinc/89/09/02/355890902.db2.gz MEWVSKLPCOEMMF-UHFFFAOYSA-N 1 0 315.377 1.802 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)nccc2N1CCC([NH2+]CCO)CC1 ZINC000593465565 355894543 /nfs/dbraw/zinc/89/45/43/355894543.db2.gz PAJALWYWDIKGJD-UHFFFAOYSA-N 1 0 316.361 1.694 20 5 DDBDRO COc1ccc(CNC(=O)NCCC2(C[NH3+])CC2)cc1[N+](=O)[O-] ZINC000593703707 355971106 /nfs/dbraw/zinc/97/11/06/355971106.db2.gz MKNGPIKSYBOEHG-UHFFFAOYSA-N 1 0 322.365 1.532 20 5 DDBDRO O=C([C@H]1CC[C@@H](C2CC2)[NH2+]1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000593907790 356053517 /nfs/dbraw/zinc/05/35/17/356053517.db2.gz VWMMVDJLABJJKN-LSDHHAIUSA-N 1 0 316.361 1.405 20 5 DDBDRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])o3)C2)C1 ZINC000593913836 356057158 /nfs/dbraw/zinc/05/71/58/356057158.db2.gz WGCVKUONORMFFN-LOWVWBTDSA-N 1 0 323.349 1.546 20 5 DDBDRO COCC1(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000594577403 356254096 /nfs/dbraw/zinc/25/40/96/356254096.db2.gz PBLOYMAQMINNOP-ZDUSSCGKSA-N 1 0 310.350 1.351 20 5 DDBDRO CC[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000594731035 356300167 /nfs/dbraw/zinc/30/01/67/356300167.db2.gz DLUUJTIZOUOAJE-NSHDSACASA-N 1 0 305.338 1.166 20 5 DDBDRO COc1cc(C[NH2+]CCc2cncc(C)n2)c([N+](=O)[O-])cc1O ZINC000594985825 356368306 /nfs/dbraw/zinc/36/83/06/356368306.db2.gz AKWOJDFDNQSZPK-UHFFFAOYSA-N 1 0 318.333 1.740 20 5 DDBDRO CCC[N@@H+]1CC[C@H](NCc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000594990796 356369381 /nfs/dbraw/zinc/36/93/81/356369381.db2.gz AITYRKXSKDFWNK-ZDUSSCGKSA-N 1 0 321.377 1.940 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000595032293 356374371 /nfs/dbraw/zinc/37/43/71/356374371.db2.gz MCVGCLPUDOIYEC-NHYWBVRUSA-N 1 0 309.366 1.321 20 5 DDBDRO CCN1C[C@H]([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)CC1=O ZINC000595041605 356375948 /nfs/dbraw/zinc/37/59/48/356375948.db2.gz MLGYFVLRMDAZHX-GHMZBOCLSA-N 1 0 307.350 1.875 20 5 DDBDRO O=C(CN1CCC[C@H]2C[NH2+]CC[C@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000601335142 358503701 /nfs/dbraw/zinc/50/37/01/358503701.db2.gz QUBYAVDPDLNQLI-GXTWGEPZSA-N 1 0 318.377 1.607 20 5 DDBDRO COC(=O)COc1ccc(C[NH2+][C@@H]2C[C@]2(C)OC)cc1[N+](=O)[O-] ZINC000594996021 356370350 /nfs/dbraw/zinc/37/03/50/356370350.db2.gz QLBJFMXKTDXLCD-HIFRSBDPSA-N 1 0 324.333 1.414 20 5 DDBDRO O=C(Cn1ccc([N+](=O)[O-])n1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000595222513 356411441 /nfs/dbraw/zinc/41/14/41/356411441.db2.gz KTHKIUKYQAPCBW-CYBMUJFWSA-N 1 0 321.381 1.030 20 5 DDBDRO Cn1cc([N+](=O)[O-])c(C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)n1 ZINC000595222488 356411487 /nfs/dbraw/zinc/41/14/87/356411487.db2.gz JNDBUZINWPMVBE-GFCCVEGCSA-N 1 0 321.381 1.180 20 5 DDBDRO C[NH2+]C[C@H](C)NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000595275654 356429316 /nfs/dbraw/zinc/42/93/16/356429316.db2.gz QGCFNSDCFISARO-NSHDSACASA-N 1 0 306.366 1.877 20 5 DDBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])nc2C)C1 ZINC000081333218 192251988 /nfs/dbraw/zinc/25/19/88/192251988.db2.gz NNTAXTWVIBHPSW-CYBMUJFWSA-N 1 0 323.397 1.290 20 5 DDBDRO Cc1noc(C[N@@H+]2CCCC[C@H]2[C@@H]2CNC(=O)C2)c1[N+](=O)[O-] ZINC000595406331 356481742 /nfs/dbraw/zinc/48/17/42/356481742.db2.gz BXHCMZIXAODAHS-QWRGUYRKSA-N 1 0 308.338 1.382 20 5 DDBDRO Cc1noc(C[NH2+][C@H]2CCCC[C@H]2N2CCOCC2)c1[N+](=O)[O-] ZINC000595457373 356500410 /nfs/dbraw/zinc/50/04/10/356500410.db2.gz WSOSFQUZLOYMPX-QWHCGFSZSA-N 1 0 324.381 1.624 20 5 DDBDRO O=[N+]([O-])c1cnc(N2CCC[C@H]([NH+]3CCOCC3)CC2)c(F)c1 ZINC000565224597 304054867 /nfs/dbraw/zinc/05/48/67/304054867.db2.gz JJUYVJBNLGIRLB-LBPRGKRZSA-N 1 0 324.356 1.820 20 5 DDBDRO CCC[NH2+]CCNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000236847013 202035885 /nfs/dbraw/zinc/03/58/85/202035885.db2.gz RPMYDYPJKMADFS-UHFFFAOYSA-N 1 0 317.349 1.510 20 5 DDBDRO C[NH2+]C[C@H](C)CNS(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC000565247401 304057694 /nfs/dbraw/zinc/05/76/94/304057694.db2.gz WDZLDFLEMVWNGK-VIFPVBQESA-N 1 0 315.395 1.345 20 5 DDBDRO NC(=O)c1ccc(C[NH2+][C@@H]2C[C@H](O)C23CCC3)c([N+](=O)[O-])c1 ZINC000595780605 356649692 /nfs/dbraw/zinc/64/96/92/356649692.db2.gz IDDDQMSIYFKQLD-OLZOCXBDSA-N 1 0 305.334 1.087 20 5 DDBDRO [NH3+][C@@H]1CCc2ccccc2N(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000595903694 356698910 /nfs/dbraw/zinc/69/89/10/356698910.db2.gz AOHKNTCVSVXLFW-CYBMUJFWSA-N 1 0 301.350 1.571 20 5 DDBDRO CN(CCOc1cccc([N+](=O)[O-])c1)[C@@H](C[NH3+])C(F)(F)F ZINC000595909309 356701734 /nfs/dbraw/zinc/70/17/34/356701734.db2.gz RJDIATIHUAUBSV-NSHDSACASA-N 1 0 307.272 1.795 20 5 DDBDRO [NH3+][C@@H]1CCC[C@@H]1C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000595929962 356709206 /nfs/dbraw/zinc/70/92/06/356709206.db2.gz VYNAUMYZBHHQCD-NWDGAFQWSA-N 1 0 307.354 1.082 20 5 DDBDRO C[NH2+]CCCC(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000237144726 202164959 /nfs/dbraw/zinc/16/49/59/202164959.db2.gz KKDXVSVOJAUWBN-NSHDSACASA-N 1 0 307.354 1.002 20 5 DDBDRO Cc1n[nH]c(C(=O)N2CCC[C@@H](C)[C@H]2CCC[NH3+])c1[N+](=O)[O-] ZINC000595972445 356730436 /nfs/dbraw/zinc/73/04/36/356730436.db2.gz BZGATCWMROUGOH-MWLCHTKSSA-N 1 0 309.370 1.606 20 5 DDBDRO C[NH2+]C[C@@H](C)NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000595982245 356734550 /nfs/dbraw/zinc/73/45/50/356734550.db2.gz CODWQUJGLIFRGE-GFCCVEGCSA-N 1 0 320.393 1.535 20 5 DDBDRO O=C(Nc1ccc([C@H]2C[NH2+]CCO2)cc1)c1n[nH]cc1[N+](=O)[O-] ZINC000595944500 356716622 /nfs/dbraw/zinc/71/66/22/356716622.db2.gz ZGGSHTMGEFCABZ-GFCCVEGCSA-N 1 0 317.305 1.231 20 5 DDBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCOCCF ZINC000596094063 356769582 /nfs/dbraw/zinc/76/95/82/356769582.db2.gz IOWFVACRJIXUFO-LLVKDONJSA-N 1 0 313.329 1.888 20 5 DDBDRO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCOC2(C[NH2+]C2)C1 ZINC000596096970 356770279 /nfs/dbraw/zinc/77/02/79/356770279.db2.gz APENXBWRXVGONN-UHFFFAOYSA-N 1 0 311.725 1.063 20 5 DDBDRO CC[N@@H+]1CC[C@@H](N(C)c2ccc([N+](=O)[O-])c(C(N)=O)c2)[C@@H](C)C1 ZINC000596136093 356786384 /nfs/dbraw/zinc/78/63/84/356786384.db2.gz HCUIDCOHBPWMAQ-SMDDNHRTSA-N 1 0 320.393 1.860 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])c(NCCN(C)CCC[NH+](C)C)n1 ZINC000596425842 356875406 /nfs/dbraw/zinc/87/54/06/356875406.db2.gz WRBCQGMWCFRVHX-UHFFFAOYSA-N 1 0 309.414 1.902 20 5 DDBDRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000597533238 357212895 /nfs/dbraw/zinc/21/28/95/357212895.db2.gz FZTCIRUIEWLNCK-CHWSQXEVSA-N 1 0 309.341 1.875 20 5 DDBDRO CNc1c(C(=O)N[C@@H]2CCC[C@H]2[NH+](C)C)cccc1[N+](=O)[O-] ZINC000597532902 357213239 /nfs/dbraw/zinc/21/32/39/357213239.db2.gz OERJFQDQGWJZHC-VXGBXAGGSA-N 1 0 306.366 1.849 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000597713682 357298246 /nfs/dbraw/zinc/29/82/46/357298246.db2.gz FOKQDVSBFNBCEX-MRXNPFEDSA-N 1 0 318.377 1.856 20 5 DDBDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000597856855 357360350 /nfs/dbraw/zinc/36/03/50/357360350.db2.gz BJQOLYIXFJQOTR-CYBMUJFWSA-N 1 0 321.377 1.963 20 5 DDBDRO CCC[N@@H+]1CC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2OC)C1 ZINC000598341605 357544619 /nfs/dbraw/zinc/54/46/19/357544619.db2.gz DLSDZXKLYOUJAZ-LLVKDONJSA-N 1 0 307.350 1.818 20 5 DDBDRO [NH3+][C@@]12CCC[C@@H]1CN(C(=O)CNc1ccccc1[N+](=O)[O-])C2 ZINC000598668591 357678121 /nfs/dbraw/zinc/67/81/21/357678121.db2.gz BATLLTQDUAGQSQ-IAQYHMDHSA-N 1 0 304.350 1.347 20 5 DDBDRO Cc1ccc(S(=O)(=O)N(C)Cc2c[nH]cn2)c(C)c1[N+](=O)[O-] ZINC000598613701 357653490 /nfs/dbraw/zinc/65/34/90/357653490.db2.gz CMTOHELIJZEOID-UHFFFAOYSA-N 1 0 324.362 1.755 20 5 DDBDRO CN1CCC[C@H]1C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000599087876 357811198 /nfs/dbraw/zinc/81/11/98/357811198.db2.gz NBKUJHWAJQTXOG-IHRRRGAJSA-N 1 0 307.398 1.959 20 5 DDBDRO O=[N+]([O-])c1c2ccncc2ccc1N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000599095298 357814356 /nfs/dbraw/zinc/81/43/56/357814356.db2.gz DIQQNUKKSKIKJG-CYBMUJFWSA-N 1 0 314.345 1.398 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H](O)[C@H]1CCCO1 ZINC000598990198 357785709 /nfs/dbraw/zinc/78/57/09/357785709.db2.gz KEIIUBVFGNENQE-DZGCQCFKSA-N 1 0 310.350 1.623 20 5 DDBDRO CCO[C@@H](C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1)C1CC1 ZINC000599436218 357935148 /nfs/dbraw/zinc/93/51/48/357935148.db2.gz DMMOTHOSQNAGOE-HNNXBMFYSA-N 1 0 320.393 1.927 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N(C)CCOCC[NH3+] ZINC000599605454 357990462 /nfs/dbraw/zinc/99/04/62/357990462.db2.gz WXXFNUKULCERBC-UHFFFAOYSA-N 1 0 312.326 1.042 20 5 DDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)C[C@H]1C[C@@H](O)C1 ZINC000599673861 358019471 /nfs/dbraw/zinc/01/94/71/358019471.db2.gz UMVSMCHSTQPNLN-GYSYKLTISA-N 1 0 307.350 1.625 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000599894970 358076855 /nfs/dbraw/zinc/07/68/55/358076855.db2.gz ALYVWSKKGTVNLS-GHMZBOCLSA-N 1 0 320.349 1.098 20 5 DDBDRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000599940595 358086035 /nfs/dbraw/zinc/08/60/35/358086035.db2.gz OMJRUCMZRDNWLU-CMPLNLGQSA-N 1 0 306.366 1.880 20 5 DDBDRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3)C[C@H]21 ZINC000600000208 358100747 /nfs/dbraw/zinc/10/07/47/358100747.db2.gz RXCCJXMXLNTBCJ-ITGUQSILSA-N 1 0 309.753 1.880 20 5 DDBDRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)Cc3ccc([N+](=O)[O-])cc3Cl)C[C@@H]12 ZINC000185195790 199822984 /nfs/dbraw/zinc/82/29/84/199822984.db2.gz BCFCMYZCXMFWNT-MPKXVKKWSA-N 1 0 323.780 1.986 20 5 DDBDRO C[NH2+]C[C@H]1CCCN(C(=O)c2cc(OC)ccc2[N+](=O)[O-])C1 ZINC000237311155 202227057 /nfs/dbraw/zinc/22/70/57/202227057.db2.gz JTSRAOLVYNQFFK-LLVKDONJSA-N 1 0 307.350 1.675 20 5 DDBDRO Cc1n[nH]c(C(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)c1[N+](=O)[O-] ZINC000600474007 358234919 /nfs/dbraw/zinc/23/49/19/358234919.db2.gz WAYNTESQMBPCSP-LLVKDONJSA-N 1 0 307.354 1.373 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000237346507 202239658 /nfs/dbraw/zinc/23/96/58/202239658.db2.gz UYWDJPZWIXOQGR-PWSUYJOCSA-N 1 0 309.370 1.218 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC[C@@H](O)C[NH+]1CCCC1 ZINC000600717851 358293558 /nfs/dbraw/zinc/29/35/58/358293558.db2.gz CQWDLKWJOGUXDP-CQSZACIVSA-N 1 0 309.366 1.150 20 5 DDBDRO COCCc1ncc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)s1 ZINC000601110419 358405545 /nfs/dbraw/zinc/40/55/45/358405545.db2.gz DFJDYHKODCDTHP-UHFFFAOYSA-N 1 0 311.367 1.227 20 5 DDBDRO CN1CC[C@H]([NH+]2CCC(Nc3ccsc3[N+](=O)[O-])CC2)C1=O ZINC000601178118 358435668 /nfs/dbraw/zinc/43/56/68/358435668.db2.gz LTGPDQUJBGSKDC-LBPRGKRZSA-N 1 0 324.406 1.763 20 5 DDBDRO C[NH+](C)C1(CNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000601448649 358557798 /nfs/dbraw/zinc/55/77/98/358557798.db2.gz LZPRFVGAXMERGX-UHFFFAOYSA-N 1 0 313.379 1.108 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CCC(CC)([NH+](C)C)CC2)n1 ZINC000601791969 358697522 /nfs/dbraw/zinc/69/75/22/358697522.db2.gz SCSGAYJVTITBOK-UHFFFAOYSA-N 1 0 323.397 1.758 20 5 DDBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000601972173 358759681 /nfs/dbraw/zinc/75/96/81/358759681.db2.gz DXMCWCVRIMAJQN-ABAIWWIYSA-N 1 0 321.402 1.945 20 5 DDBDRO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000348157553 283394545 /nfs/dbraw/zinc/39/45/45/283394545.db2.gz GJMRLMFEPXXYCR-QWRGUYRKSA-N 1 0 318.333 1.740 20 5 DDBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N[C@@H]1CC[NH2+]C12CCC2 ZINC000602531744 359030446 /nfs/dbraw/zinc/03/04/46/359030446.db2.gz JATSLJIDVAUDKU-CQSZACIVSA-N 1 0 319.361 1.765 20 5 DDBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)c3c(F)cccc3[N+](=O)[O-])C[C@H]21 ZINC000602481411 359007734 /nfs/dbraw/zinc/00/77/34/359007734.db2.gz CHLZNUKYHWVTOZ-CKYFFXLPSA-N 1 0 307.325 1.933 20 5 DDBDRO CNc1ccc(C(=O)N2CCC[C@@H]3C[NH2+]CC[C@@H]32)cc1[N+](=O)[O-] ZINC000602605032 359068872 /nfs/dbraw/zinc/06/88/72/359068872.db2.gz RLLDZYAPTXSBPY-OCCSQVGLSA-N 1 0 318.377 1.851 20 5 DDBDRO CO[C@H](C)[C@@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602665432 359112253 /nfs/dbraw/zinc/11/22/53/359112253.db2.gz BOBBTNWLYWOMRR-VXGBXAGGSA-N 1 0 308.382 1.972 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCCC2(CCOCC2)C1 ZINC000602778111 359184790 /nfs/dbraw/zinc/18/47/90/359184790.db2.gz BHMOQCBQHHDSJX-UHFFFAOYSA-N 1 0 308.382 1.992 20 5 DDBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cn(C)nc2[N+](=O)[O-])[C@@H]1SC ZINC000602697295 359131781 /nfs/dbraw/zinc/13/17/81/359131781.db2.gz NRDQAYBQJKNSOK-MXWKQRLJSA-N 1 0 300.384 1.327 20 5 DDBDRO CC(=O)N(C)C1CC[NH+](CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000602765334 359175669 /nfs/dbraw/zinc/17/56/69/359175669.db2.gz JVFYWCZQMVPLGL-UHFFFAOYSA-N 1 0 309.370 1.042 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(Cn2cnnc2)CC1 ZINC000602868860 359252810 /nfs/dbraw/zinc/25/28/10/359252810.db2.gz YEEQADALLUOVPS-UHFFFAOYSA-N 1 0 319.369 1.103 20 5 DDBDRO CCNC(=O)C[C@@H]1CCCC[N@@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602824935 359218326 /nfs/dbraw/zinc/21/83/26/359218326.db2.gz FTCUBGLUAXIOBJ-ZDUSSCGKSA-N 1 0 323.397 1.480 20 5 DDBDRO CO[C@@H]1[C@H]2C[C@H]3C[N@H+](CCn4c(C)ncc4[N+](=O)[O-])[C@H]1[C@H]3C2 ZINC000602829545 359220991 /nfs/dbraw/zinc/22/09/91/359220991.db2.gz LKQKWCGMQAZJOW-ZCRGAIPPSA-N 1 0 306.366 1.455 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CCN1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000602827637 359221708 /nfs/dbraw/zinc/22/17/08/359221708.db2.gz MIWTXWBLDBNXDC-GXTWGEPZSA-N 1 0 307.398 1.658 20 5 DDBDRO CCn1cc(CC[NH2+][C@](C)(CO)c2cccc([N+](=O)[O-])c2)cn1 ZINC000602961523 359323589 /nfs/dbraw/zinc/32/35/89/359323589.db2.gz BFHSZXYXTOYNKF-MRXNPFEDSA-N 1 0 318.377 1.851 20 5 DDBDRO Cn1nccc1CC[NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602962859 359326001 /nfs/dbraw/zinc/32/60/01/359326001.db2.gz PTBVCXPVVAZQFP-HNNXBMFYSA-N 1 0 304.350 1.368 20 5 DDBDRO C[C@](CO)([NH2+]CCN1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000602963016 359326024 /nfs/dbraw/zinc/32/60/24/359326024.db2.gz ROIRTBUMUCAAPI-MRXNPFEDSA-N 1 0 307.394 1.878 20 5 DDBDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000186876361 200026149 /nfs/dbraw/zinc/02/61/49/200026149.db2.gz NUSJTKOBZCILRL-IUODEOHRSA-N 1 0 320.393 1.901 20 5 DDBDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000604543996 359763725 /nfs/dbraw/zinc/76/37/25/359763725.db2.gz FJDTYCWNTWVAHV-CYBMUJFWSA-N 1 0 320.393 1.853 20 5 DDBDRO C[C@@](C[NH3+])(NC(=O)CSc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000237627764 202311279 /nfs/dbraw/zinc/31/12/79/202311279.db2.gz WDIPUAXPHKQLNM-AWEZNQCLSA-N 1 0 309.391 1.931 20 5 DDBDRO C[NH+](C)[C@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)c1ccccc1 ZINC000348509047 283534727 /nfs/dbraw/zinc/53/47/27/283534727.db2.gz RDWHGCMTGVQQKS-GFCCVEGCSA-N 1 0 303.322 1.351 20 5 DDBDRO O=C(COc1ccccc1[N+](=O)[O-])N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000609383577 360303025 /nfs/dbraw/zinc/30/30/25/360303025.db2.gz VLZPNYQKZXMQQG-CYBMUJFWSA-N 1 0 319.361 1.574 20 5 DDBDRO C[N@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)C(C)(C)CO ZINC000609894932 360362447 /nfs/dbraw/zinc/36/24/47/360362447.db2.gz PCPPFRXPJSEGGH-UHFFFAOYSA-N 1 0 323.349 1.596 20 5 DDBDRO CCOC(=O)CCC1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000610995883 360594676 /nfs/dbraw/zinc/59/46/76/360594676.db2.gz IKVIRYCSFCYICI-UHFFFAOYSA-N 1 0 324.381 1.847 20 5 DDBDRO Cc1ccc(CN2CC[NH+](C(C)(C)CO)CC2)cc1[N+](=O)[O-] ZINC000611272240 360685693 /nfs/dbraw/zinc/68/56/93/360685693.db2.gz PCHVQXJZEZHFCB-UHFFFAOYSA-N 1 0 307.394 1.792 20 5 DDBDRO C[C@@H]([NH3+])CCC(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000193317818 201028411 /nfs/dbraw/zinc/02/84/11/201028411.db2.gz OXEBWUBDIWYUDM-GHMZBOCLSA-N 1 0 307.354 1.130 20 5 DDBDRO CN(C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)C1CC[NH+](C)CC1 ZINC000193321978 201028958 /nfs/dbraw/zinc/02/89/58/201028958.db2.gz HUBAPWKLWLNPRY-UHFFFAOYSA-N 1 0 317.349 1.637 20 5 DDBDRO Cc1c(CC(=O)NCC2=CC[N@H+](C)CC2)cccc1[N+](=O)[O-] ZINC000271875893 209288833 /nfs/dbraw/zinc/28/88/33/209288833.db2.gz MHSUMABSKCCOAB-UHFFFAOYSA-N 1 0 303.362 1.824 20 5 DDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]([NH3+])C1CC1 ZINC000194735030 201281103 /nfs/dbraw/zinc/28/11/03/201281103.db2.gz MWFQNVWPSDGSRW-LBPRGKRZSA-N 1 0 313.379 1.173 20 5 DDBDRO C[C@](O)(CO)C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000619464229 364023855 /nfs/dbraw/zinc/02/38/55/364023855.db2.gz BHCCZPKKPOFVSJ-OAHLLOKOSA-N 1 0 306.318 1.688 20 5 DDBDRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000619566958 364063846 /nfs/dbraw/zinc/06/38/46/364063846.db2.gz CUDBQUSFACCPNA-CYBMUJFWSA-N 1 0 321.377 1.916 20 5 DDBDRO COc1cc(OCC(=O)N[C@@H](C)C[C@@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000566258685 304134571 /nfs/dbraw/zinc/13/45/71/304134571.db2.gz ZXRCHWNXFXFJFS-ZJUUUORDSA-N 1 0 311.338 1.224 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CCC3(CC2)OCCCO3)c1 ZINC000293223233 223451684 /nfs/dbraw/zinc/45/16/84/223451684.db2.gz YXYZGMXPANHBNT-HNNXBMFYSA-N 1 0 322.361 1.857 20 5 DDBDRO COCC1(CNC(=O)c2ccc([N+](=O)[O-])s2)CC[NH2+]CC1 ZINC000261599534 203078381 /nfs/dbraw/zinc/07/83/81/203078381.db2.gz BENHLNXSCHTIPS-UHFFFAOYSA-N 1 0 313.379 1.402 20 5 DDBDRO Cc1sc(C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)cc1[N+](=O)[O-] ZINC000262144545 203210849 /nfs/dbraw/zinc/21/08/49/203210849.db2.gz YFUQLVNAOACJSC-NSHDSACASA-N 1 0 324.406 1.084 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000093241633 193220678 /nfs/dbraw/zinc/22/06/78/193220678.db2.gz MPGACTBRHXRPGD-MRXNPFEDSA-N 1 0 323.393 1.562 20 5 DDBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CN(C3CC3)CCO2)c(F)c1 ZINC000350284763 284177861 /nfs/dbraw/zinc/17/78/61/284177861.db2.gz BYQJRUIAPIEQIW-AWEZNQCLSA-N 1 0 309.341 1.687 20 5 DDBDRO O=C(CCn1cc([N+](=O)[O-])cn1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000264659542 204060916 /nfs/dbraw/zinc/06/09/16/204060916.db2.gz YNARHBKMRQBJGD-CYBMUJFWSA-N 1 0 321.381 1.268 20 5 DDBDRO CNC(=O)c1ccc(N2CC[C@@H](C[NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000264983334 204323809 /nfs/dbraw/zinc/32/38/09/204323809.db2.gz RMXVURNFBBPMSP-NSHDSACASA-N 1 0 306.366 1.342 20 5 DDBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000265032571 204356972 /nfs/dbraw/zinc/35/69/72/204356972.db2.gz XOXVZKJKCPBUIV-NSHDSACASA-N 1 0 309.370 1.621 20 5 DDBDRO C[C@@H](C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C[C@H](C)O ZINC000566620693 304172141 /nfs/dbraw/zinc/17/21/41/304172141.db2.gz QJXQCAIHDKQBKU-NEPJUHHUSA-N 1 0 309.366 1.920 20 5 DDBDRO CC[C@@H]1CN(c2ncc([N+](=O)[O-])cc2C)CC[N@@H+]1C[C@@H](C)O ZINC000266309705 205255521 /nfs/dbraw/zinc/25/55/21/205255521.db2.gz DIKFHRDHFWDIDC-CHWSQXEVSA-N 1 0 308.382 1.580 20 5 DDBDRO COc1cccc(CC[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC001120466868 781963838 /nfs/dbraw/zinc/96/38/38/781963838.db2.gz GIZXKJFUGFDXLJ-HNNXBMFYSA-N 1 0 317.345 1.864 20 5 DDBDRO C[C@H]([NH2+]C[C@@H](O)COC[C@@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000567123737 304198871 /nfs/dbraw/zinc/19/88/71/304198871.db2.gz ASLNBIVQSVQECH-MAZHCROVSA-N 1 0 324.377 1.802 20 5 DDBDRO Cc1c([C@H](C)[NH2+]CC2(C(N)=O)CCOCC2)cccc1[N+](=O)[O-] ZINC000153158067 248299870 /nfs/dbraw/zinc/29/98/70/248299870.db2.gz LHRBXUNTENFOJX-LBPRGKRZSA-N 1 0 321.377 1.836 20 5 DDBDRO O=C(C1CC[NH2+]CC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000039320260 183016462 /nfs/dbraw/zinc/01/64/62/183016462.db2.gz PHKLEBXVNQOMKH-UHFFFAOYSA-N 1 0 318.377 1.243 20 5 DDBDRO Cc1ccc(CN2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000284432073 218024628 /nfs/dbraw/zinc/02/46/28/218024628.db2.gz SBADETLVKFJRMB-UONOGXRCSA-N 1 0 307.394 1.790 20 5 DDBDRO Cc1c(C(=O)NC[C@](C)(O)CC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000352123521 284802238 /nfs/dbraw/zinc/80/22/38/284802238.db2.gz VNKXPFBBXYBRAH-OAHLLOKOSA-N 1 0 309.366 1.336 20 5 DDBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000110993483 194378965 /nfs/dbraw/zinc/37/89/65/194378965.db2.gz MOQSWZAKBIBYSD-GFCCVEGCSA-N 1 0 323.397 1.517 20 5 DDBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000110994214 194379573 /nfs/dbraw/zinc/37/95/73/194379573.db2.gz QWOLEIHLDBJRKO-CYBMUJFWSA-N 1 0 320.393 1.997 20 5 DDBDRO CC[C@H](Cn1cncn1)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000340518768 251094841 /nfs/dbraw/zinc/09/48/41/251094841.db2.gz WFZMRXFGSYOYEV-GFCCVEGCSA-N 1 0 305.338 1.763 20 5 DDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CCC[N@@H+]([C@H](C)CO)CC1 ZINC000340859523 251247395 /nfs/dbraw/zinc/24/73/95/251247395.db2.gz AWDODEZJQVPUMY-LLVKDONJSA-N 1 0 311.386 1.013 20 5 DDBDRO C[NH2+][C@@H]1CCN(C(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)C1 ZINC000269135052 207266759 /nfs/dbraw/zinc/26/67/59/207266759.db2.gz QERLCXVSHKRHSR-SNVBAGLBSA-N 1 0 309.322 1.046 20 5 DDBDRO C[C@@H]1CN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC[C@H]1[NH3+] ZINC000269186509 207306940 /nfs/dbraw/zinc/30/69/40/207306940.db2.gz FXRSGZMNWZRUEU-BXKDBHETSA-N 1 0 311.313 1.308 20 5 DDBDRO CC[C@H](NC(=O)C[C@@H]1C[NH2+]CCO1)c1cccc([N+](=O)[O-])c1 ZINC000269248340 207386785 /nfs/dbraw/zinc/38/67/85/207386785.db2.gz QZKVRLGGFXEOGG-KGLIPLIRSA-N 1 0 307.350 1.541 20 5 DDBDRO C[NH+](C)[C@@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000117786538 194847469 /nfs/dbraw/zinc/84/74/69/194847469.db2.gz KTGUJEXVNRJFJL-GFCCVEGCSA-N 1 0 311.769 1.953 20 5 DDBDRO O=[N+]([O-])c1ccc(-c2noc(N3CC[N@@H+]4CCC[C@@H]4C3)n2)cc1 ZINC000486955869 285106893 /nfs/dbraw/zinc/10/68/93/285106893.db2.gz MDKIUHFPLHVWCB-CYBMUJFWSA-N 1 0 315.333 1.929 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)[C@H](C[NH3+])C1CC1 ZINC000359987540 299576835 /nfs/dbraw/zinc/57/68/35/299576835.db2.gz WANPWGSRVVAIFW-CQSZACIVSA-N 1 0 306.366 1.511 20 5 DDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@@H](CO)C2CC2)n1 ZINC000353484095 285168384 /nfs/dbraw/zinc/16/83/84/285168384.db2.gz PXBXHKFYIJNMPN-MELADBBJSA-N 1 0 308.382 1.883 20 5 DDBDRO C[N@@H+]([C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)[C@H]1CCC[C@@H]1O ZINC000352668262 285211205 /nfs/dbraw/zinc/21/12/05/285211205.db2.gz QQJFICOFDACSCV-ZNMIVQPWSA-N 1 0 319.361 1.545 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000414656541 533225318 /nfs/dbraw/zinc/22/53/18/533225318.db2.gz NFEMXLIUPNJDPC-CQSZACIVSA-N 1 0 308.338 1.806 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000414656177 533226382 /nfs/dbraw/zinc/22/63/82/533226382.db2.gz MSSGPIROWOFFNC-QWRGUYRKSA-N 1 0 320.349 1.677 20 5 DDBDRO CSc1ccc(C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000290039676 221394305 /nfs/dbraw/zinc/39/43/05/221394305.db2.gz GMLGEMNIKHYDHU-VXGBXAGGSA-N 1 0 321.402 1.998 20 5 DDBDRO C[C@H]1CCNC(=O)[C@@H]1[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411698893 533658172 /nfs/dbraw/zinc/65/81/72/533658172.db2.gz VRVZMDXOKGOWMS-IINYFYTJSA-N 1 0 320.349 1.038 20 5 DDBDRO Cc1ccccc1C[C@H](C)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000568714515 304307067 /nfs/dbraw/zinc/30/70/67/304307067.db2.gz WUWYFSSBVLGJQF-BBRMVZONSA-N 1 0 318.377 1.681 20 5 DDBDRO CC[C@H]1C[N@H+](CC)CCN1c1ccc(C(=O)NC)cc1[N+](=O)[O-] ZINC000569196495 304340362 /nfs/dbraw/zinc/34/03/62/304340362.db2.gz RNEKEUPDMGXBPY-ZDUSSCGKSA-N 1 0 320.393 1.875 20 5 DDBDRO CC[NH+]1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000068127854 406617259 /nfs/dbraw/zinc/61/72/59/406617259.db2.gz RHEHVWMHXDZOMU-UHFFFAOYSA-N 1 0 306.366 1.561 20 5 DDBDRO C[C@H]([NH3+])[C@H]1CCCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000070173685 406810897 /nfs/dbraw/zinc/81/08/97/406810897.db2.gz KLLSAOGXTAFANH-QWRGUYRKSA-N 1 0 313.379 1.343 20 5 DDBDRO COCCOC[C@@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000075953145 406947566 /nfs/dbraw/zinc/94/75/66/406947566.db2.gz VHEQOXDIMDCIKB-CQSZACIVSA-N 1 0 324.377 1.959 20 5 DDBDRO COCCN(CC[NH+](C)C)C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000078508411 407031293 /nfs/dbraw/zinc/03/12/93/407031293.db2.gz URMMRYCCCHHOQU-CMDGGOBGSA-N 1 0 321.377 1.645 20 5 DDBDRO CCCC[N@H+](CCO)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000079982974 407067270 /nfs/dbraw/zinc/06/72/70/407067270.db2.gz BKFDMJCLUAIIOV-UHFFFAOYSA-N 1 0 321.377 1.578 20 5 DDBDRO C[C@@H]1CCC[N@H+](CCNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000102332300 407321554 /nfs/dbraw/zinc/32/15/54/407321554.db2.gz VKHAWOBRMHBUEZ-GFCCVEGCSA-N 1 0 323.397 1.375 20 5 DDBDRO COc1ccc(C[N@@H+]2CCC[C@H](CNC(C)=O)C2)cc1[N+](=O)[O-] ZINC000067413312 407273325 /nfs/dbraw/zinc/27/33/25/407273325.db2.gz VQMCARDKTQOSFQ-CQSZACIVSA-N 1 0 321.377 1.952 20 5 DDBDRO [NH3+][C@@H]1CCC[C@@H]1C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000126317229 407411115 /nfs/dbraw/zinc/41/11/15/407411115.db2.gz NRXOZTUJVPBCHV-QWHCGFSZSA-N 1 0 318.377 1.371 20 5 DDBDRO COc1cc(C(=O)N2C[C@@H](C[NH3+])C[C@H]2C)cc([N+](=O)[O-])c1OC ZINC000261620141 407555362 /nfs/dbraw/zinc/55/53/62/407555362.db2.gz BTNQEQBZLJABIG-NXEZZACHSA-N 1 0 323.349 1.421 20 5 DDBDRO COc1ccc(OCC[NH2+][C@H](C)Cn2cccn2)c([N+](=O)[O-])c1 ZINC000266536336 407549621 /nfs/dbraw/zinc/54/96/21/407549621.db2.gz OGLGDQDHEAJUFD-GFCCVEGCSA-N 1 0 320.349 1.857 20 5 DDBDRO C[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1F)[N@H+](C)C1CC1 ZINC000152043324 407549697 /nfs/dbraw/zinc/54/96/97/407549697.db2.gz MFQXOTMJDPDPMA-SNVBAGLBSA-N 1 0 309.341 1.875 20 5 DDBDRO C[NH2+][C@@H](C)Cc1noc(-c2n[nH]c3ccc([N+](=O)[O-])cc32)n1 ZINC000261749096 407600741 /nfs/dbraw/zinc/60/07/41/407600741.db2.gz LREXBCVUQUAUQW-ZETCQYMHSA-N 1 0 302.294 1.672 20 5 DDBDRO CC[C@@H]1CN(c2c([N+](=O)[O-])c(C)nn2C)CC[N@@H+]1CCOC ZINC000114709540 407603480 /nfs/dbraw/zinc/60/34/80/407603480.db2.gz DWLIASOEEWXZNS-GFCCVEGCSA-N 1 0 311.386 1.184 20 5 DDBDRO CC[NH+](CC)CCNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000266743839 407619322 /nfs/dbraw/zinc/61/93/22/407619322.db2.gz YMQOBQDXAAEKOB-UHFFFAOYSA-N 1 0 308.382 1.778 20 5 DDBDRO COCC[N@H+](C)CCNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000171199284 407627728 /nfs/dbraw/zinc/62/77/28/407627728.db2.gz WPBRHQNSJOCWDS-LBPRGKRZSA-N 1 0 324.381 1.533 20 5 DDBDRO CCCN(C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)[C@@H]1CC[NH2+]C1 ZINC000178891380 407644332 /nfs/dbraw/zinc/64/43/32/407644332.db2.gz NTLIJMQGVCYXMO-LLVKDONJSA-N 1 0 317.349 1.685 20 5 DDBDRO CC(C)C[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000171348124 407668060 /nfs/dbraw/zinc/66/80/60/407668060.db2.gz BHTAEBLILOLJMZ-UHFFFAOYSA-N 1 0 306.366 1.591 20 5 DDBDRO O=C(CCOc1ccccc1[N+](=O)[O-])NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262517388 407855484 /nfs/dbraw/zinc/85/54/84/407855484.db2.gz UIGGNNSVZKMOFH-FUNVUKJBSA-N 1 0 319.361 1.763 20 5 DDBDRO COC[C@]1(CNC(=O)c2ccc(C)c([N+](=O)[O-])c2)CCC[NH2+]1 ZINC000262574205 407870749 /nfs/dbraw/zinc/87/07/49/407870749.db2.gz XVAKGYMTXAMMKI-OAHLLOKOSA-N 1 0 307.350 1.402 20 5 DDBDRO Cc1c(CNC(=O)[C@@H]2CC23CC[NH2+]CC3)cccc1[N+](=O)[O-] ZINC000262571083 407871415 /nfs/dbraw/zinc/87/14/15/407871415.db2.gz XLHJJMIWAFJLJG-ZDUSSCGKSA-N 1 0 303.362 1.909 20 5 DDBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCCCN1CC[NH2+]CC1 ZINC000238029738 407873154 /nfs/dbraw/zinc/87/31/54/407873154.db2.gz XKUSETRHTKOQJX-QPJJXVBHSA-N 1 0 318.377 1.020 20 5 DDBDRO C[C@@H](CNc1ncc(Cl)cc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000153681928 407877874 /nfs/dbraw/zinc/87/78/74/407877874.db2.gz GOVLWLLIOYUCMS-JTQLQIEISA-N 1 0 313.789 1.691 20 5 DDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000272379931 407893170 /nfs/dbraw/zinc/89/31/70/407893170.db2.gz FKYVGTUJMNGDII-GFCCVEGCSA-N 1 0 318.377 1.877 20 5 DDBDRO O=C(CC1CC[NH2+]CC1)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000238137940 407894003 /nfs/dbraw/zinc/89/40/03/407894003.db2.gz DQHIKJFUPFFNEA-UHFFFAOYSA-N 1 0 306.366 1.513 20 5 DDBDRO COc1cc(C(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)cc([N+](=O)[O-])c1OC ZINC000272273757 407843850 /nfs/dbraw/zinc/84/38/50/407843850.db2.gz NXHXICOKBAKVCM-ZJUUUORDSA-N 1 0 323.349 1.421 20 5 DDBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000189486491 408032483 /nfs/dbraw/zinc/03/24/83/408032483.db2.gz VQEKHYYIBLFFSD-NEPJUHHUSA-N 1 0 320.349 1.394 20 5 DDBDRO CN(Cc1ccc(Cl)cc1[N+](=O)[O-])CC(C)(CO)CO ZINC000135854328 408058054 /nfs/dbraw/zinc/05/80/54/408058054.db2.gz NCEZOILUWMPDMC-UHFFFAOYSA-N 1 0 302.758 1.671 20 5 DDBDRO COC[C@@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)C1CC1 ZINC000136626709 408113106 /nfs/dbraw/zinc/11/31/06/408113106.db2.gz LKGJSELISYXYMO-LSDHHAIUSA-N 1 0 319.361 1.715 20 5 DDBDRO CC1(C)CN(C(=O)CCNc2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000175423057 408128752 /nfs/dbraw/zinc/12/87/52/408128752.db2.gz YGMHJVKTCYKVAO-UHFFFAOYSA-N 1 0 306.366 1.607 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000155339444 408156342 /nfs/dbraw/zinc/15/63/42/408156342.db2.gz XZVMHIZQSMTWGO-HZMBPMFUSA-N 1 0 306.366 1.757 20 5 DDBDRO C[C@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1cnn(C)c1 ZINC000273382513 408176886 /nfs/dbraw/zinc/17/68/86/408176886.db2.gz MXUSITXFXBNDLD-NSHDSACASA-N 1 0 317.349 1.642 20 5 DDBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]Cc1nccn1C ZINC000268902854 408220575 /nfs/dbraw/zinc/22/05/75/408220575.db2.gz MQUJHINXKXPBEA-LLVKDONJSA-N 1 0 317.349 1.835 20 5 DDBDRO C[NH+](C)CCCOC1CCN(c2ncc([N+](=O)[O-])cn2)CC1 ZINC000273621440 408268223 /nfs/dbraw/zinc/26/82/23/408268223.db2.gz OPOHDYCUGYDVRI-UHFFFAOYSA-N 1 0 309.370 1.322 20 5 DDBDRO O=[N+]([O-])c1ccn(CCN2CC[NH+](CC3CCCCC3)CC2)n1 ZINC000176218939 408312183 /nfs/dbraw/zinc/31/21/83/408312183.db2.gz VLGXONLRJVCZQX-UHFFFAOYSA-N 1 0 321.425 1.989 20 5 DDBDRO Cc1noc(C2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)n1 ZINC000176214908 408313059 /nfs/dbraw/zinc/31/30/59/408313059.db2.gz RJSWMJQTPLIPPP-UHFFFAOYSA-N 1 0 306.326 1.362 20 5 DDBDRO CC(C)C[C@@H](CNC(=O)c1cc([N+](=O)[O-])cnc1N)[NH+](C)C ZINC000183622853 408457574 /nfs/dbraw/zinc/45/75/74/408457574.db2.gz PUUGHSJVIADMGX-JTQLQIEISA-N 1 0 309.370 1.278 20 5 DDBDRO COC[C@@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000183448782 408413734 /nfs/dbraw/zinc/41/37/34/408413734.db2.gz XAMSXLPQWYPZTQ-CQSZACIVSA-N 1 0 319.361 1.499 20 5 DDBDRO C[C@@H]1C[C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)C[N@@H+]1C1CC1 ZINC000177052884 408508783 /nfs/dbraw/zinc/50/87/83/408508783.db2.gz MAQJNIZZMIJFJP-YPMHNXCESA-N 1 0 303.362 1.879 20 5 DDBDRO C[C@H]1C[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)C[N@@H+]1C1CC1 ZINC000177131078 408527359 /nfs/dbraw/zinc/52/73/59/408527359.db2.gz IPPDAVNWHXXDAH-AAEUAGOBSA-N 1 0 303.362 1.879 20 5 DDBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2c2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000192150091 408550291 /nfs/dbraw/zinc/55/02/91/408550291.db2.gz XTDHZEGWSRCGDX-OLZOCXBDSA-N 1 0 318.377 1.614 20 5 DDBDRO C[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C[C@@H]1CCC[C@H]1O ZINC000248374143 408553478 /nfs/dbraw/zinc/55/34/78/408553478.db2.gz NZUIBEWWRDPCIU-KCQAQPDRSA-N 1 0 324.377 1.427 20 5 DDBDRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000184290838 408585883 /nfs/dbraw/zinc/58/58/83/408585883.db2.gz YYSXZEVXPWQYQL-ZDUSSCGKSA-N 1 0 320.393 1.351 20 5 DDBDRO COCC[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2C)C1 ZINC000264565782 408537666 /nfs/dbraw/zinc/53/76/66/408537666.db2.gz RJXAEXUGQGTIMW-LBPRGKRZSA-N 1 0 307.350 1.354 20 5 DDBDRO CC[N@@H+]1CCC[C@H](NC(=O)c2cccc(OC)c2[N+](=O)[O-])C1 ZINC000192528849 408606346 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323.397 1.418 20 5 DDBDRO CNC(=O)c1ccc(N(C)CC[N@H+](C)C2CC2)c([N+](=O)[O-])c1 ZINC000184788441 408687350 /nfs/dbraw/zinc/68/73/50/408687350.db2.gz DUQFBQVGOKLVCR-UHFFFAOYSA-N 1 0 306.366 1.485 20 5 DDBDRO CC(C)(C)[NH2+]CCNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000181714443 162801171 /nfs/dbraw/zinc/80/11/71/162801171.db2.gz AFAJSDSMODDAHA-UHFFFAOYSA-N 1 0 309.322 1.441 20 5 DDBDRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)/C=C/c3ccccc3[N+](=O)[O-])C[C@@H]12 ZINC000185123612 408762937 /nfs/dbraw/zinc/76/29/37/408762937.db2.gz CQCCNRVJSGRSDT-BSRSEFTISA-N 1 0 301.346 1.804 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCC[N@H+](C)CC1 ZINC000281313223 408880063 /nfs/dbraw/zinc/88/00/63/408880063.db2.gz ZSCVOKNKRXADFO-UHFFFAOYSA-N 1 0 307.350 1.771 20 5 DDBDRO Cc1c(NC(=O)CC[N@H+](C)CCCCO)cccc1[N+](=O)[O-] ZINC000276369655 408844419 /nfs/dbraw/zinc/84/44/19/408844419.db2.gz JRONFYXQVUVSMN-UHFFFAOYSA-N 1 0 309.366 1.936 20 5 DDBDRO C[NH+]1CCN(CCNc2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000276602810 408890913 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1.261 20 5 DDBDRO Cc1ccc(S(=O)(=O)N[C@H]2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000226461949 163336230 /nfs/dbraw/zinc/33/62/30/163336230.db2.gz GJNLEBOWVTUDCJ-NSHDSACASA-N 1 0 313.379 1.324 20 5 DDBDRO C[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C2(CCCCC2)C1 ZINC000286267723 408952042 /nfs/dbraw/zinc/95/20/42/408952042.db2.gz VILSNPBWNWBFSK-UHFFFAOYSA-N 1 0 307.354 1.408 20 5 DDBDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)Cc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000292126286 408985816 /nfs/dbraw/zinc/98/58/16/408985816.db2.gz GXCNGAITXYUACP-MRXNPFEDSA-N 1 0 303.362 1.692 20 5 DDBDRO C[C@H](c1ccccc1)[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)C(N)=O ZINC000292180535 408995780 /nfs/dbraw/zinc/99/57/80/408995780.db2.gz MLOSPINVZFCLBK-RISCZKNCSA-N 1 0 317.349 1.039 20 5 DDBDRO C[C@@H](c1ccccc1)[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)C(N)=O ZINC000292180531 408995905 /nfs/dbraw/zinc/99/59/05/408995905.db2.gz MLOSPINVZFCLBK-FZMZJTMJSA-N 1 0 317.349 1.039 20 5 DDBDRO C[NH+](C)C[C@](C)(O)CNc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000278141326 409072505 /nfs/dbraw/zinc/07/25/05/409072505.db2.gz AQOJOWZAODSLRJ-LLVKDONJSA-N 1 0 322.287 1.733 20 5 DDBDRO CCOCC(C)(C)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000293299111 409084276 /nfs/dbraw/zinc/08/42/76/409084276.db2.gz PHSRBZCZGRMVEB-ZDUSSCGKSA-N 1 0 312.366 1.739 20 5 DDBDRO C[C@@H]([NH2+]C[C@H]1CN(C)CCN1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293668339 409157889 /nfs/dbraw/zinc/15/78/89/409157889.db2.gz JPMLFWIXVHELFN-YPMHNXCESA-N 1 0 307.398 1.073 20 5 DDBDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3cc([N+](=O)[O-])ccc3N)C2)C1 ZINC000294096096 409239619 /nfs/dbraw/zinc/23/96/19/409239619.db2.gz KMHJTBZXUVJSQB-MRXNPFEDSA-N 1 0 318.377 1.735 20 5 DDBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H](CO)[C@@H]2CCOC2)c(Cl)c1 ZINC000280427132 409311540 /nfs/dbraw/zinc/31/15/40/409311540.db2.gz ZUXHPEDLBNTHKG-NEPJUHHUSA-N 1 0 314.769 1.983 20 5 DDBDRO C[C@H](CNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)C[NH+](C)C ZINC000295216163 409380633 /nfs/dbraw/zinc/38/06/33/409380633.db2.gz AMRMMPAGCXCORQ-GFCCVEGCSA-N 1 0 321.377 1.872 20 5 DDBDRO CC1CC[NH+](CCCNc2nccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000290555459 409442223 /nfs/dbraw/zinc/44/22/23/409442223.db2.gz RBQBFPXGGVGFKA-UHFFFAOYSA-N 1 0 321.381 1.623 20 5 DDBDRO Nc1c(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000317417112 164026829 /nfs/dbraw/zinc/02/68/29/164026829.db2.gz YIWQBNGOTMTALC-MNOVXSKESA-N 1 0 304.350 1.534 20 5 DDBDRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1cc(F)ccc1[N+](=O)[O-] ZINC000321979917 164046266 /nfs/dbraw/zinc/04/62/66/164046266.db2.gz OZBQQPQKLNAFRU-NWDGAFQWSA-N 1 0 323.324 1.327 20 5 DDBDRO CC(C)(O)c1ccc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000295391444 409464220 /nfs/dbraw/zinc/46/42/20/409464220.db2.gz LGKVCQXZICUSBH-UHFFFAOYSA-N 1 0 304.350 1.809 20 5 DDBDRO COC(=O)Cc1ccc(NCC[N@H+](C)C2CC2)c([N+](=O)[O-])c1 ZINC000295495614 409505138 /nfs/dbraw/zinc/50/51/38/409505138.db2.gz KICXDAZGJQNEOS-UHFFFAOYSA-N 1 0 307.350 1.816 20 5 DDBDRO C[NH+](C)CCn1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000303042223 409524244 /nfs/dbraw/zinc/52/42/44/409524244.db2.gz SMYCBDAPWNGPQW-UHFFFAOYSA-N 1 0 303.322 1.605 20 5 DDBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@@H](CO)C[NH+]1CCCCC1 ZINC000296420657 409541399 /nfs/dbraw/zinc/54/13/99/409541399.db2.gz SIHHVEYHMRMHMV-CYBMUJFWSA-N 1 0 322.365 1.563 20 5 DDBDRO C[C@H](C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1 ZINC000571364397 304455213 /nfs/dbraw/zinc/45/52/13/304455213.db2.gz SFSMNPGSDHTENI-IAQYHMDHSA-N 1 0 322.340 1.685 20 5 DDBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc([N+](=O)[O-])nn1C ZINC000356749527 409572443 /nfs/dbraw/zinc/57/24/43/409572443.db2.gz XOBUIDNKTQIXFX-MNOVXSKESA-N 1 0 307.354 1.027 20 5 DDBDRO COC[C@@H](O)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000304240251 409586201 /nfs/dbraw/zinc/58/62/01/409586201.db2.gz RUZSLOITASQDIR-NSHDSACASA-N 1 0 306.318 1.952 20 5 DDBDRO CC(C)(NC(=O)CCOC1C[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000348960550 409610587 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LIEXJGVTLDXTAY-MNOVXSKESA-N 1 0 303.366 1.996 20 5 DDBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)Nc3ccncc3[N+](=O)[O-])C[C@H]21 ZINC000332241418 410005883 /nfs/dbraw/zinc/00/58/83/410005883.db2.gz RTRZEAULTXARGA-GMTAPVOTSA-N 1 0 305.338 1.003 20 5 DDBDRO O=C(Nc1ccncc1[N+](=O)[O-])N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000332331744 410072069 /nfs/dbraw/zinc/07/20/69/410072069.db2.gz STYVPJFBVINNLL-GFCCVEGCSA-N 1 0 319.365 1.408 20 5 DDBDRO C[C@@H]1CN(c2ncnc3sc([N+](=O)[O-])cc32)CC[N@@H+]1CCO ZINC000343024201 410082303 /nfs/dbraw/zinc/08/23/03/410082303.db2.gz DDGHKDFASFCQEC-SECBINFHSA-N 1 0 323.378 1.102 20 5 DDBDRO C[N@@H+]1CCCC[C@H]1CCC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000355028105 410251128 /nfs/dbraw/zinc/25/11/28/410251128.db2.gz QDFQFQDEKPRIHB-LBPRGKRZSA-N 1 0 309.370 1.172 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](CO)C[NH+]2CCCCC2)c1 ZINC000298506329 410262369 /nfs/dbraw/zinc/26/23/69/410262369.db2.gz GZPOBNXORQYAMJ-ZDUSSCGKSA-N 1 0 321.377 1.480 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@H](C)[C@H](O)C1 ZINC000351776427 410224081 /nfs/dbraw/zinc/22/40/81/410224081.db2.gz BAXXJDIMACJHPG-GXFFZTMASA-N 1 0 323.349 1.245 20 5 DDBDRO Cc1c(NC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000332718028 410233357 /nfs/dbraw/zinc/23/33/57/410233357.db2.gz WIMMZRDGKKFUIL-VXGBXAGGSA-N 1 0 304.350 1.976 20 5 DDBDRO COC(=O)C1CC[NH+](CCCNc2ccc([N+](=O)[O-])cn2)CC1 ZINC000298670858 410339900 /nfs/dbraw/zinc/33/99/00/410339900.db2.gz OVIFOQFHSZIDKQ-UHFFFAOYSA-N 1 0 322.365 1.677 20 5 DDBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC[N@H+](CCO)[C@H](C)C1 ZINC000347387462 410514798 /nfs/dbraw/zinc/51/47/98/410514798.db2.gz ZWBCDWJGGLZYMM-YVGNARHYSA-N 1 0 319.405 1.997 20 5 DDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000339953017 410573363 /nfs/dbraw/zinc/57/33/63/410573363.db2.gz MQVOTKDXQMPIBH-NWDGAFQWSA-N 1 0 318.377 1.993 20 5 DDBDRO CC1=CC[N@H+](CCNC(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000355545866 410574545 /nfs/dbraw/zinc/57/45/45/410574545.db2.gz MCZUJJWOCFJVLB-UHFFFAOYSA-N 1 0 304.350 1.559 20 5 DDBDRO CCC[N@H+](C)CC(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000355592620 410595663 /nfs/dbraw/zinc/59/56/63/410595663.db2.gz YUMCSRBFQVGRRP-LBPRGKRZSA-N 1 0 321.381 1.344 20 5 DDBDRO CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)C[C@@H](C)O ZINC000352203662 410543917 /nfs/dbraw/zinc/54/39/17/410543917.db2.gz ULBARGKSGKWQNN-GFCCVEGCSA-N 1 0 309.366 1.935 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](C)C[NH+](C)C ZINC000299190821 410562458 /nfs/dbraw/zinc/56/24/58/410562458.db2.gz CRXRFKPIZDSTDY-NSHDSACASA-N 1 0 322.365 1.216 20 5 DDBDRO C[C@H]1CN(c2nc3ccccc3cc2[N+](=O)[O-])CCN1CCO ZINC000352362213 410646620 /nfs/dbraw/zinc/64/66/20/410646620.db2.gz VBKYGELFFKIBLC-LBPRGKRZSA-N 1 0 316.361 1.646 20 5 DDBDRO CC[NH+]1CCC(Nc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC1 ZINC000301100172 410655836 /nfs/dbraw/zinc/65/58/36/410655836.db2.gz KQSFTNLJSZKFQE-UHFFFAOYSA-N 1 0 320.349 1.822 20 5 DDBDRO C[N@H+](CCNc1ncc([N+](=O)[O-])cc1C(N)=O)C1CCCCC1 ZINC000301104879 410658732 /nfs/dbraw/zinc/65/87/32/410658732.db2.gz JBUBFJCVFUBVMC-UHFFFAOYSA-N 1 0 321.381 1.765 20 5 DDBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000352988840 410718268 /nfs/dbraw/zinc/71/82/68/410718268.db2.gz PKLCPKDDVYVZOE-SCDSUCTJSA-N 1 0 310.375 1.775 20 5 DDBDRO Cc1ccc(S(=O)(=O)N2CC[C@@H]([NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000330534100 410758261 /nfs/dbraw/zinc/75/82/61/410758261.db2.gz UTFYOTIBLJVPCT-LLVKDONJSA-N 1 0 313.379 1.228 20 5 DDBDRO Cc1nc(N2CCC[C@@H]2C[N@@H+]2CCC[C@@H]2CO)ccc1[N+](=O)[O-] ZINC000301662802 410765855 /nfs/dbraw/zinc/76/58/55/410765855.db2.gz NDSWHYVPUMRNEH-ZIAGYGMSSA-N 1 0 320.393 1.724 20 5 DDBDRO C[N@@H+]1CCO[C@H]2CN(c3ccc([N+](=O)[O-])c4cccnc43)C[C@@H]21 ZINC000301692305 410773234 /nfs/dbraw/zinc/77/32/34/410773234.db2.gz ZDGNQSLMJRHHPY-GJZGRUSLSA-N 1 0 314.345 1.662 20 5 DDBDRO CCc1ccc([C@H](CO)[NH2+]CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000359625597 410779324 /nfs/dbraw/zinc/77/93/24/410779324.db2.gz NMXUKDSKLZGETN-HNNXBMFYSA-N 1 0 304.350 1.677 20 5 DDBDRO CC[N@H+](C)C[C@@H]1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)C1 ZINC000301890184 410823647 /nfs/dbraw/zinc/82/36/47/410823647.db2.gz TWUVLKJBCHORFP-NSHDSACASA-N 1 0 304.354 1.416 20 5 DDBDRO C[N@@H+]1CCC[C@@H]2CN(c3ccc4ncc([N+](=O)[O-])n4n3)CC[C@@H]21 ZINC000301965062 410836547 /nfs/dbraw/zinc/83/65/47/410836547.db2.gz NYLVWFLPOBHREF-NEPJUHHUSA-N 1 0 316.365 1.558 20 5 DDBDRO C[C@@H]1C[N@@H+](C2CCN(c3ncc([N+](=O)[O-])cn3)CC2)CCO1 ZINC000302127762 410838371 /nfs/dbraw/zinc/83/83/71/410838371.db2.gz XALKXEMOLQWYHK-LLVKDONJSA-N 1 0 307.354 1.074 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[NH+]2CCC(OC[C@@H]3CCOC3)CC2)c1 ZINC000131690022 167468411 /nfs/dbraw/zinc/46/84/11/167468411.db2.gz KRHCCFUHBRPCQF-CYBMUJFWSA-N 1 0 324.381 1.309 20 5 DDBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1cc([N+](=O)[O-])nn1C ZINC000356464314 411044433 /nfs/dbraw/zinc/04/44/33/411044433.db2.gz JQELRXYHYOSWSK-NSHDSACASA-N 1 0 309.370 1.323 20 5 DDBDRO Cn1ccnc1[C@H](NCCN1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000353646694 411097975 /nfs/dbraw/zinc/09/79/75/411097975.db2.gz QRRPWVJMHMVWRO-OAHLLOKOSA-N 1 0 315.377 1.713 20 5 DDBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000356590853 411100084 /nfs/dbraw/zinc/10/00/84/411100084.db2.gz CDOYAWUZRFZCAX-JTQLQIEISA-N 1 0 309.370 1.422 20 5 DDBDRO C[NH+](C)CCN1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000344446652 411104283 /nfs/dbraw/zinc/10/42/83/411104283.db2.gz ZKPLBWUENDNCAG-UHFFFAOYSA-N 1 0 324.356 1.053 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]1CC[C@H](CO)O1 ZINC000353706666 411115354 /nfs/dbraw/zinc/11/53/54/411115354.db2.gz PQUMBCSQBMIHMI-UONOGXRCSA-N 1 0 310.350 1.623 20 5 DDBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCC[NH2+]C1 ZINC000571539007 304469150 /nfs/dbraw/zinc/46/91/50/304469150.db2.gz VZPCNJUMQCLSMX-GFCCVEGCSA-N 1 0 322.365 1.272 20 5 DDBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@@H]2C[C@H](O)C2(C)C)cccc1[N+](=O)[O-] ZINC000580446425 422933779 /nfs/dbraw/zinc/93/37/79/422933779.db2.gz LDMKTLBFGMTLTP-GDLCADMTSA-N 1 0 321.377 1.979 20 5 DDBDRO C[NH+](C)CCc1ccc(NC(=O)c2n[nH]cc2[N+](=O)[O-])cc1 ZINC000132570885 196265974 /nfs/dbraw/zinc/26/59/74/196265974.db2.gz KSWWHBCQXDBZDN-UHFFFAOYSA-N 1 0 303.322 1.674 20 5 DDBDRO [NH3+][C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000133149186 196315623 /nfs/dbraw/zinc/31/56/23/196315623.db2.gz MTKOIRTWTQVSST-SNVBAGLBSA-N 1 0 319.770 1.264 20 5 DDBDRO C[C@@H](CNC(=O)c1ccc(F)cc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000134243081 196373304 /nfs/dbraw/zinc/37/33/04/196373304.db2.gz NNSLVUZJADRVTR-NSHDSACASA-N 1 0 324.356 1.100 20 5 DDBDRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000417238236 225259494 /nfs/dbraw/zinc/25/94/94/225259494.db2.gz YCAXZMYCSAEMSQ-BXUZGUMPSA-N 1 0 306.366 1.435 20 5 DDBDRO C[C@H]1CN(C(=O)NCCc2cccc([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000417950590 225520401 /nfs/dbraw/zinc/52/04/01/225520401.db2.gz WKLUUHDIGIZTQV-SMDDNHRTSA-N 1 0 306.366 1.516 20 5 DDBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])cnc1N)C[NH+]1CCCC1 ZINC000180538639 221904680 /nfs/dbraw/zinc/90/46/80/221904680.db2.gz WLLMCWGRZCUVHC-SNVBAGLBSA-N 1 0 307.354 1.034 20 5 DDBDRO CC(C)[NH+](CCNC(=O)c1cc([N+](=O)[O-])cnc1N)C(C)C ZINC000180495227 221905564 /nfs/dbraw/zinc/90/55/64/221905564.db2.gz IQJYSXGZUBUKAD-UHFFFAOYSA-N 1 0 309.370 1.421 20 5 DDBDRO COc1cccc(C(=O)N2CC[NH+]3CCC2CC3)c1[N+](=O)[O-] ZINC000192934298 418527496 /nfs/dbraw/zinc/52/74/96/418527496.db2.gz MIYIHVSPIKCOHL-UHFFFAOYSA-N 1 0 305.334 1.524 20 5 DDBDRO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360831959 418528250 /nfs/dbraw/zinc/52/82/50/418528250.db2.gz JVFRDCCCWCPGKU-OAHLLOKOSA-N 1 0 315.333 1.297 20 5 DDBDRO CCN(CCC[NH+]1CCCC1)c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290883476 221992287 /nfs/dbraw/zinc/99/22/87/221992287.db2.gz CDRWORBNOVHKPO-UHFFFAOYSA-N 1 0 321.381 1.401 20 5 DDBDRO C[C@@H]1C[NH+](CCCCNc2ccncc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000361073601 418577436 /nfs/dbraw/zinc/57/74/36/418577436.db2.gz LTLZZBJOFALYQU-CHWSQXEVSA-N 1 0 308.382 1.713 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000361400547 418644157 /nfs/dbraw/zinc/64/41/57/418644157.db2.gz PSVCZMJDRMGFCE-UHFFFAOYSA-N 1 0 309.370 1.180 20 5 DDBDRO [NH3+][C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000375250850 418621856 /nfs/dbraw/zinc/62/18/56/418621856.db2.gz PWBOEISNZFXOGI-OWUUHHOZSA-N 1 0 315.333 1.565 20 5 DDBDRO CC[NH+](CC)[C@@H](CNc1ncc([N+](=O)[O-])c(N)n1)CC(C)C ZINC000341808430 418626700 /nfs/dbraw/zinc/62/67/00/418626700.db2.gz HNXKEFJFSKEHNW-LLVKDONJSA-N 1 0 310.402 1.557 20 5 DDBDRO CCn1nccc1C[N@H+](CCO)CCc1ccc([N+](=O)[O-])cc1 ZINC000361362283 418636214 /nfs/dbraw/zinc/63/62/14/418636214.db2.gz QTZIMWZZUSOCTE-UHFFFAOYSA-N 1 0 318.377 1.848 20 5 DDBDRO Cc1cc(C(=O)N[C@H]2CC23CC[NH2+]CC3)c(N)c([N+](=O)[O-])c1 ZINC000368184770 418700148 /nfs/dbraw/zinc/70/01/48/418700148.db2.gz LSRHKKFUBIQKAE-LBPRGKRZSA-N 1 0 304.350 1.357 20 5 DDBDRO COc1cc(C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000382465031 418730561 /nfs/dbraw/zinc/73/05/61/418730561.db2.gz ZZMVHFISTOXOBC-VHSXEESVSA-N 1 0 323.349 1.469 20 5 DDBDRO CC[C@@H]1[C@H](CO)CC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000385849879 418738174 /nfs/dbraw/zinc/73/81/74/418738174.db2.gz XKTKIJCYDLWFLX-QWHCGFSZSA-N 1 0 307.350 1.287 20 5 DDBDRO Cc1nc(NC[C@@H]2CCC[C@H]2[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000370531765 418746252 /nfs/dbraw/zinc/74/62/52/418746252.db2.gz UBFQIKDQPLPVMJ-DZGCQCFKSA-N 1 0 320.393 2.211 20 5 DDBDRO COc1cc(C(=O)N[C@@H]2CC[NH2+]CC2(C)C)ccc1[N+](=O)[O-] ZINC000389806402 418751238 /nfs/dbraw/zinc/75/12/38/418751238.db2.gz KCVJOMPWTNUZHQ-CYBMUJFWSA-N 1 0 307.350 1.721 20 5 DDBDRO CN(C(=O)CCOc1ccccc1[N+](=O)[O-])[C@H]1CCC[NH2+]CC1 ZINC000364666549 418798060 /nfs/dbraw/zinc/79/80/60/418798060.db2.gz RWHMBINYZGZJMU-ZDUSSCGKSA-N 1 0 321.377 1.964 20 5 DDBDRO CC[NH+](CC)CCNC(=O)C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000411246459 418884138 /nfs/dbraw/zinc/88/41/38/418884138.db2.gz RGKPGVHLQHCSSZ-UHFFFAOYSA-N 1 0 322.365 1.300 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424228855 228248796 /nfs/dbraw/zinc/24/87/96/228248796.db2.gz XTPLZLYTEXTFFM-LLVKDONJSA-N 1 0 318.377 1.902 20 5 DDBDRO CN(Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C[C@@H]1CCC[N@@H+]1C ZINC000420991713 419428769 /nfs/dbraw/zinc/42/87/69/419428769.db2.gz ALMKDELMWJXZSQ-LBPRGKRZSA-N 1 0 303.366 1.997 20 5 DDBDRO Cc1c(CNC(=O)N[C@H](CC[NH3+])C(F)F)cccc1[N+](=O)[O-] ZINC000418082556 419519184 /nfs/dbraw/zinc/51/91/84/419519184.db2.gz QLRSQUVVKOQRDF-SNVBAGLBSA-N 1 0 316.308 1.685 20 5 DDBDRO CN(C)C(=O)[C@@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000411946398 419514505 /nfs/dbraw/zinc/51/45/05/419514505.db2.gz SKMHUWOCPHSOQE-GFCCVEGCSA-N 1 0 307.350 1.384 20 5 DDBDRO C[C@@H]1C[C@H](O)C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000412037968 419584476 /nfs/dbraw/zinc/58/44/76/419584476.db2.gz NYJKOKVLTPWQKH-NEPJUHHUSA-N 1 0 307.350 1.626 20 5 DDBDRO COCC[C@@]1(C(=O)N(C)Cc2ccccc2[N+](=O)[O-])CC[NH2+]C1 ZINC000429680411 228835933 /nfs/dbraw/zinc/83/59/33/228835933.db2.gz IERQVKFSPBAQOF-INIZCTEOSA-N 1 0 321.377 1.569 20 5 DDBDRO C[NH2+]C[C@H](C)CNC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000418401226 419776538 /nfs/dbraw/zinc/77/65/38/419776538.db2.gz YMFOHOGKIVVDOV-NSHDSACASA-N 1 0 322.365 1.223 20 5 DDBDRO [NH3+][C@@H](CNC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1)C1CC1 ZINC000418492750 419833075 /nfs/dbraw/zinc/83/30/75/419833075.db2.gz VLFQKUBUFQJXFK-ZDUSSCGKSA-N 1 0 320.349 1.236 20 5 DDBDRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000418584712 419888126 /nfs/dbraw/zinc/88/81/26/419888126.db2.gz CMLIFOMHUJERSI-DGCLKSJQSA-N 1 0 306.366 1.734 20 5 DDBDRO O=[N+]([O-])c1ccc(OC(F)F)c(CNC[C@@H]2C[NH2+]CCO2)c1 ZINC000415099369 419943842 /nfs/dbraw/zinc/94/38/42/419943842.db2.gz YAKPPEPNUHGGMQ-NSHDSACASA-N 1 0 317.292 1.274 20 5 DDBDRO C[C@H]1[NH2+]CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)[C@H]1C ZINC000436060327 229447088 /nfs/dbraw/zinc/44/70/88/229447088.db2.gz QVRSDLLMGPPMAC-MNOVXSKESA-N 1 0 317.349 1.827 20 5 DDBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000418803089 419986958 /nfs/dbraw/zinc/98/69/58/419986958.db2.gz YOWRGFQFXHDLHS-KGLIPLIRSA-N 1 0 320.393 1.906 20 5 DDBDRO C[NH2+]C[C@H]1CCCN1C(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1 ZINC000429507587 420022661 /nfs/dbraw/zinc/02/26/61/420022661.db2.gz ZSPHHQXZUHBGGG-LLVKDONJSA-N 1 0 323.349 1.436 20 5 DDBDRO [NH3+]C1(CNC(=O)Nc2ccncc2[N+](=O)[O-])CCCCCC1 ZINC000415385860 420044947 /nfs/dbraw/zinc/04/49/47/420044947.db2.gz ORALQTJGPCPYEJ-UHFFFAOYSA-N 1 0 307.354 1.585 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@H](C)CC[NH3+] ZINC000415560217 420111480 /nfs/dbraw/zinc/11/14/80/420111480.db2.gz UTEGEIUYPMVAAB-SECBINFHSA-N 1 0 308.338 1.004 20 5 DDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430571024 420142628 /nfs/dbraw/zinc/14/26/28/420142628.db2.gz NHGWQEBYURTDLU-XQQFMLRXSA-N 1 0 320.393 1.981 20 5 DDBDRO COC(=O)c1cc(NC(=O)NC[C@H](C)C[NH3+])c(C)c([N+](=O)[O-])c1 ZINC000415600398 420122366 /nfs/dbraw/zinc/12/23/66/420122366.db2.gz OAYCPPUAAFHGFT-MRVPVSSYSA-N 1 0 324.337 1.406 20 5 DDBDRO COc1ccc(NC(=O)CN[C@@](C)(C[NH3+])C(C)C)c([N+](=O)[O-])c1 ZINC000430555527 420137148 /nfs/dbraw/zinc/13/71/48/420137148.db2.gz SHONKUOTZSAQMQ-HNNXBMFYSA-N 1 0 324.381 1.505 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000415484846 420086116 /nfs/dbraw/zinc/08/61/16/420086116.db2.gz ORDFBNTZCYXMBM-LBPRGKRZSA-N 1 0 321.381 1.237 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](CCO)C1CCOCC1 ZINC000430198633 420089726 /nfs/dbraw/zinc/08/97/26/420089726.db2.gz ZDTNQJLAQURPGQ-UHFFFAOYSA-N 1 0 310.350 1.577 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[NH2+]C[C@@H]2C)c1 ZINC000423590363 420090339 /nfs/dbraw/zinc/09/03/39/420090339.db2.gz IHELZVQHKGNKDN-GWCFXTLKSA-N 1 0 307.350 1.721 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCC[C@@H]1CC(N)=O ZINC000430226175 420092519 /nfs/dbraw/zinc/09/25/19/420092519.db2.gz MNTUBLDRMSCTJE-GFCCVEGCSA-N 1 0 307.350 1.833 20 5 DDBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[NH2+]C[C@](C)(F)C1 ZINC000420330689 420215070 /nfs/dbraw/zinc/21/50/70/420215070.db2.gz LNYSJIQWYPUKCL-NHYWBVRUSA-N 1 0 324.356 1.555 20 5 DDBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000430587198 420149209 /nfs/dbraw/zinc/14/92/09/420149209.db2.gz VENNRGFYEHDBJW-YUTCNCBUSA-N 1 0 318.377 1.748 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@](C)(C[NH3+])C1CC1 ZINC000430584930 420149317 /nfs/dbraw/zinc/14/93/17/420149317.db2.gz QIQBKOHAPUXGOK-HNNXBMFYSA-N 1 0 322.365 1.259 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCC[C@@H]2CCC[NH2+]C2)n1 ZINC000420206086 420151588 /nfs/dbraw/zinc/15/15/88/420151588.db2.gz PQRMQZWSTKHCQP-JTQLQIEISA-N 1 0 308.338 1.578 20 5 DDBDRO Cc1c(NC(=O)[C@@H](C)N2CCC[C@@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000430658379 420172695 /nfs/dbraw/zinc/17/26/95/420172695.db2.gz XJMIWXHQHDOBRS-OLZOCXBDSA-N 1 0 320.393 1.901 20 5 DDBDRO [NH3+][C@H]1CCC[C@H](CNc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C1 ZINC000420288383 420182571 /nfs/dbraw/zinc/18/25/71/420182571.db2.gz SEEPQXVYXDPOPP-UWVGGRQHSA-N 1 0 317.349 2.173 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000420360441 420236332 /nfs/dbraw/zinc/23/63/32/420236332.db2.gz HDQOPAGQOPUWJY-LALPHHSUSA-N 1 0 320.393 1.818 20 5 DDBDRO COc1ccc(OCCN[C@H]2[C@@H](C)[NH2+]CC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000420364684 420239590 /nfs/dbraw/zinc/23/95/90/420239590.db2.gz KLBYWHVIRVIXEP-HWWQOWPSSA-N 1 0 323.393 1.958 20 5 DDBDRO Cc1ccc([C@@H](C)[NH2+]CCC(=O)N2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000420416205 420271689 /nfs/dbraw/zinc/27/16/89/420271689.db2.gz VJRDFBOEJHLODM-CYBMUJFWSA-N 1 0 320.393 1.376 20 5 DDBDRO C[N@@H+]1CC[C@@](O)(CNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000436338278 420321850 /nfs/dbraw/zinc/32/18/50/420321850.db2.gz BRHJFFAQOSAFRF-LLVKDONJSA-N 1 0 320.271 1.487 20 5 DDBDRO CCc1ccccc1[C@@H]([NH3+])CNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000423983784 420291356 /nfs/dbraw/zinc/29/13/56/420291356.db2.gz TZMOZDJFQAIGQB-ZDUSSCGKSA-N 1 0 317.349 1.170 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000420448274 420295253 /nfs/dbraw/zinc/29/52/53/420295253.db2.gz WKJVNOZKKRCNKA-ZJUUUORDSA-N 1 0 301.368 1.226 20 5 DDBDRO CO[C@H](C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)C1CC1 ZINC000425417022 420379896 /nfs/dbraw/zinc/37/98/96/420379896.db2.gz MCMKCXUHJTZZNE-GXTWGEPZSA-N 1 0 306.366 1.901 20 5 DDBDRO CN(C[C@@H]1CCC[N@@H+]1C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420766109 420384150 /nfs/dbraw/zinc/38/41/50/420384150.db2.gz LWBQONSKGARSOZ-LBPRGKRZSA-N 1 0 313.379 1.310 20 5 DDBDRO C[NH+](C)CC1CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000445004118 230149191 /nfs/dbraw/zinc/14/91/91/230149191.db2.gz LUXUSNSQXQJQIA-UHFFFAOYSA-N 1 0 308.338 1.109 20 5 DDBDRO C[C@H]([NH3+])[C@H](C)NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000417716195 420459636 /nfs/dbraw/zinc/45/96/36/420459636.db2.gz JKAHVFLTBXNUED-RYUDHWBXSA-N 1 0 308.382 1.952 20 5 DDBDRO [NH3+][C@H]1CCC[C@H](CNC(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000417766893 420473237 /nfs/dbraw/zinc/47/32/37/420473237.db2.gz PSFYILSRVDDIQH-JSGCOSHPSA-N 1 0 320.393 1.954 20 5 DDBDRO CC1(C)CCC[N@@H+]1CCNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000457079743 420604653 /nfs/dbraw/zinc/60/46/53/420604653.db2.gz SMHFVHUJNCBOGN-UHFFFAOYSA-N 1 0 321.377 1.964 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H]1CCC[C@]1(C)CO ZINC000492892905 420700543 /nfs/dbraw/zinc/70/05/43/420700543.db2.gz PHNPNZBDXRMFSQ-CZUORRHYSA-N 1 0 321.377 1.982 20 5 DDBDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000493048880 420743358 /nfs/dbraw/zinc/74/33/58/420743358.db2.gz NDVNYQPHWRFPAJ-CNNPOGIWSA-N 1 0 307.325 1.943 20 5 DDBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N[C@H]1C[NH2+]CCC1(F)F ZINC000493094682 420756609 /nfs/dbraw/zinc/75/66/09/420756609.db2.gz RPVDIBMVBBLNKP-UXONFWTHSA-N 1 0 311.288 1.721 20 5 DDBDRO O=C(NC[C@H]1CCC[N@H+]1CCCO)Nc1ccc([N+](=O)[O-])cc1 ZINC000454276411 420829214 /nfs/dbraw/zinc/82/92/14/420829214.db2.gz ORRBBUICXQUKKD-CQSZACIVSA-N 1 0 322.365 1.563 20 5 DDBDRO Cn1c(C(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC000449200536 420967668 /nfs/dbraw/zinc/96/76/68/420967668.db2.gz HLGWXTPEKFYWDQ-NWDGAFQWSA-N 1 0 306.366 1.395 20 5 DDBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])c(NC)n2)C1 ZINC000455183209 420979724 /nfs/dbraw/zinc/97/97/24/420979724.db2.gz PAMTXLWHZCCQHK-NSHDSACASA-N 1 0 321.381 1.493 20 5 DDBDRO COc1ccc(C(=O)N[C@H]2C[NH2+]CCC2(F)F)cc1[N+](=O)[O-] ZINC000449655985 421047643 /nfs/dbraw/zinc/04/76/43/421047643.db2.gz IRBAZTNQPOTBGV-NSHDSACASA-N 1 0 315.276 1.330 20 5 DDBDRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000487948945 421060219 /nfs/dbraw/zinc/06/02/19/421060219.db2.gz MYWBOJQSNDAASZ-JSGCOSHPSA-N 1 0 305.378 1.793 20 5 DDBDRO C[C@@H](CNC(=O)N(C)CCc1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000455432453 421013876 /nfs/dbraw/zinc/01/38/76/421013876.db2.gz NHXBXZADENEBEO-LBPRGKRZSA-N 1 0 308.382 1.729 20 5 DDBDRO CNc1nc(C(=O)NCC[N@H+](C)C2CCCC2)ccc1[N+](=O)[O-] ZINC000455458600 421018207 /nfs/dbraw/zinc/01/82/07/421018207.db2.gz DZBNNIKAURRXOI-UHFFFAOYSA-N 1 0 321.381 1.636 20 5 DDBDRO C[C@@H]([NH3+])[C@@H](C)NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000449594086 421034823 /nfs/dbraw/zinc/03/48/23/421034823.db2.gz XEXQQKWNBXDWOE-RNFRBKRXSA-N 1 0 316.155 1.823 20 5 DDBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@@H](C)[NH3+])cc1SC ZINC000449594277 421035152 /nfs/dbraw/zinc/03/51/52/421035152.db2.gz XUSTVXAYUMXRQI-HTQZYQBOSA-N 1 0 313.379 1.791 20 5 DDBDRO Cc1cc(F)ccc1C[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000488014529 421063275 /nfs/dbraw/zinc/06/32/75/421063275.db2.gz ZBEDDJMRCWEWRA-HNNXBMFYSA-N 1 0 322.340 1.732 20 5 DDBDRO CN(CC(=O)N[C@H]1CC[C@@H](C[NH3+])C1)c1ccccc1[N+](=O)[O-] ZINC000449727338 421070299 /nfs/dbraw/zinc/07/02/99/421070299.db2.gz PIPJAFIKLIMPJV-NEPJUHHUSA-N 1 0 306.366 1.275 20 5 DDBDRO CC(C)[C@H]1CN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000490295327 421191904 /nfs/dbraw/zinc/19/19/04/421191904.db2.gz BRQCPOPSCUCPQD-CYBMUJFWSA-N 1 0 306.366 1.589 20 5 DDBDRO Cc1nc(N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000450539285 421207512 /nfs/dbraw/zinc/20/75/12/421207512.db2.gz JMAMGXCROZNZDX-DMDPSCGWSA-N 1 0 305.382 1.860 20 5 DDBDRO COc1ccc(CC(=O)N[C@@H](C)Cn2ccnc2)cc1[N+](=O)[O-] ZINC000524312657 421257332 /nfs/dbraw/zinc/25/73/32/421257332.db2.gz AUDKZXMMKMEUGQ-NSHDSACASA-N 1 0 318.333 1.547 20 5 DDBDRO C[C@H]1C[C@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC[N@@H+]1C ZINC000525620062 421293386 /nfs/dbraw/zinc/29/33/86/421293386.db2.gz ZESTYBXVEDMQJH-VHSXEESVSA-N 1 0 321.333 1.536 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[NH2+]C[C@H](O)Cc2ccc(F)cc2)c1 ZINC000563529771 421518431 /nfs/dbraw/zinc/51/84/31/421518431.db2.gz FJCFRTBMKWIJKV-CQSZACIVSA-N 1 0 308.313 1.124 20 5 DDBDRO C[C@@H](NC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+])c1ccccc1[N+](=O)[O-] ZINC000563537389 421519743 /nfs/dbraw/zinc/51/97/43/421519743.db2.gz SUCOYULWZOJLNN-GARJFASQSA-N 1 0 322.365 1.014 20 5 DDBDRO CC[C@H]1C[N@H+](C)CCN1c1ccc(C(=O)NC)cc1[N+](=O)[O-] ZINC000549654220 421503489 /nfs/dbraw/zinc/50/34/89/421503489.db2.gz NLFPQSMCKVBFLA-LBPRGKRZSA-N 1 0 306.366 1.485 20 5 DDBDRO COCC(COC)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000515467689 421505310 /nfs/dbraw/zinc/50/53/10/421505310.db2.gz JBQQFMSKOZAPJM-UHFFFAOYSA-N 1 0 311.338 1.174 20 5 DDBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2NC[C@H](O)C[NH+]1CCCC1 ZINC000563419476 421506062 /nfs/dbraw/zinc/50/60/62/421506062.db2.gz WQOABPKQSLKQTC-SWLSCSKDSA-N 1 0 305.378 1.628 20 5 DDBDRO O=C(Nc1ccn(-c2cc[nH+]cc2)n1)c1ccc([N+](=O)[O-])cn1 ZINC000531628758 421640670 /nfs/dbraw/zinc/64/06/70/421640670.db2.gz YDCTVMKFUTUHFY-UHFFFAOYSA-N 1 0 310.273 1.823 20 5 DDBDRO C[C@H](NC(=O)c1ccnc(N)c1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000565783947 421600455 /nfs/dbraw/zinc/60/04/55/421600455.db2.gz OYYUODWGGLFVRQ-VIFPVBQESA-N 1 0 309.370 1.278 20 5 DDBDRO COc1ccc(C[N@H+](C)[C@@H](CO)COC(C)C)cc1[N+](=O)[O-] ZINC000519853577 421734607 /nfs/dbraw/zinc/73/46/07/421734607.db2.gz WJLXBRZFMPNRGO-ZDUSSCGKSA-N 1 0 312.366 1.821 20 5 DDBDRO CC(C)[N@H+](C)CCCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000520361649 421747469 /nfs/dbraw/zinc/74/74/69/421747469.db2.gz PYMXIZLIZGQANQ-UHFFFAOYSA-N 1 0 323.349 1.784 20 5 DDBDRO O=C(C[NH2+]C1(C2CC2)CC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000542520775 421823531 /nfs/dbraw/zinc/82/35/31/421823531.db2.gz JCTHZXQKPFFFEV-UHFFFAOYSA-N 1 0 319.317 1.794 20 5 DDBDRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC000558759143 421825155 /nfs/dbraw/zinc/82/51/55/421825155.db2.gz WCTDGAGSFYNOBD-LLVKDONJSA-N 1 0 307.354 1.122 20 5 DDBDRO O=C(CC[NH2+]C[C@@H](O)C(F)F)Nc1ccccc1[N+](=O)[O-] ZINC000572880742 421875986 /nfs/dbraw/zinc/87/59/86/421875986.db2.gz LGXLCJPFFYAINE-SNVBAGLBSA-N 1 0 303.265 1.139 20 5 DDBDRO COCCNC(=O)C1([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000581022064 421885943 /nfs/dbraw/zinc/88/59/43/421885943.db2.gz JWYONKGTBSCANI-ZDUSSCGKSA-N 1 0 319.361 1.467 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000574176084 422070637 /nfs/dbraw/zinc/07/06/37/422070637.db2.gz OXCUFRSITIVMGZ-GFCCVEGCSA-N 1 0 321.381 1.318 20 5 DDBDRO COc1cc(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)ccc1C ZINC000582160363 422119046 /nfs/dbraw/zinc/11/90/46/422119046.db2.gz NBWOBNBXVMBVGF-CQSZACIVSA-N 1 0 320.349 1.259 20 5 DDBDRO CCc1ccc(S(=O)(=O)NC[C@H]([NH3+])CC)cc1[N+](=O)[O-] ZINC000575987696 422352618 /nfs/dbraw/zinc/35/26/18/422352618.db2.gz BTFKTCCHJIIARL-SNVBAGLBSA-N 1 0 301.368 1.173 20 5 DDBDRO [NH3+]CC12CC(C1)CN2C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000595966588 422359690 /nfs/dbraw/zinc/35/96/90/422359690.db2.gz RBOSSTPZWOFBDJ-UHFFFAOYSA-N 1 0 309.753 1.740 20 5 DDBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000600271936 422409344 /nfs/dbraw/zinc/40/93/44/422409344.db2.gz RUIWBKLHZNNGIE-SNVBAGLBSA-N 1 0 321.333 1.190 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000600271935 422410325 /nfs/dbraw/zinc/41/03/25/422410325.db2.gz RQLGJUXIEXLIDA-LLVKDONJSA-N 1 0 307.350 1.818 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@H](O)[C@@H]1CCOC1)CCC2 ZINC000578721517 422628314 /nfs/dbraw/zinc/62/83/14/422628314.db2.gz QQRDIMCGUFJWGS-WQVCFCJDSA-N 1 0 306.362 1.959 20 5 DDBDRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)/C=C\c3ccccc3[N+](=O)[O-])C[C@@H]12 ZINC000319386671 271023842 /nfs/dbraw/zinc/02/38/42/271023842.db2.gz CQCCNRVJSGRSDT-BLTQMSHYSA-N 1 0 301.346 1.804 20 5 DDBDRO C[C@@H]1C[NH2+]CCN1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000341750576 271199571 /nfs/dbraw/zinc/19/95/71/271199571.db2.gz SFKLWBPOOIKAHN-LLVKDONJSA-N 1 0 320.349 1.187 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H](c2cccs2)C2CC2)c1 ZINC000342469166 271427718 /nfs/dbraw/zinc/42/77/18/271427718.db2.gz DMQLCJKELLMAPP-TZMCWYRMSA-N 1 0 322.390 1.955 20 5 DDBDRO CS[C@@H]1CN(c2cccc(C(N)=O)c2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000342699383 271480277 /nfs/dbraw/zinc/48/02/77/271480277.db2.gz IFBTZDNRDDHWCZ-VXGBXAGGSA-N 1 0 324.406 1.176 20 5 DDBDRO CCC[NH+]1CCN(c2ccc(CC(=O)OC)cc2[N+](=O)[O-])CC1 ZINC000296226594 273614289 /nfs/dbraw/zinc/61/42/89/273614289.db2.gz DRCSHIQBPVDVBO-UHFFFAOYSA-N 1 0 321.377 1.842 20 5 DDBDRO C[C@@H](O)C[NH+]1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000275837682 274271381 /nfs/dbraw/zinc/27/13/81/274271381.db2.gz PFKPYSOMJBYCGG-GFCCVEGCSA-N 1 0 316.361 1.646 20 5 DDBDRO O=C(c1ccc([N+](=O)[O-])o1)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000313376195 275012830 /nfs/dbraw/zinc/01/28/30/275012830.db2.gz LZAXICMQZPXISA-LBPRGKRZSA-N 1 0 301.302 1.975 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CC1(CO)COC1)CCCC2 ZINC000417313913 275038151 /nfs/dbraw/zinc/03/81/51/275038151.db2.gz XKNTVXDLVQMDIC-OAHLLOKOSA-N 1 0 306.362 1.961 20 5 DDBDRO C[N@@H+]1CCC[C@@]2(CCN(c3cccc(C(N)=O)c3[N+](=O)[O-])C2)C1 ZINC000338745491 277072959 /nfs/dbraw/zinc/07/29/59/277072959.db2.gz NRNFZRVTPWPINX-MRXNPFEDSA-N 1 0 318.377 1.616 20 5 DDBDRO CC1(C)CN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000212605919 278343299 /nfs/dbraw/zinc/34/32/99/278343299.db2.gz VKAMCEQJHVYUED-UHFFFAOYSA-N 1 0 313.379 1.187 20 5 DDBDRO O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000289622466 280207811 /nfs/dbraw/zinc/20/78/11/280207811.db2.gz GVQJDWWIJVNONS-NXEZZACHSA-N 1 0 309.753 1.930 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H](C)C[NH3+])cc1C ZINC000447245749 280655535 /nfs/dbraw/zinc/65/55/35/280655535.db2.gz NRBZMAHECZUKOL-QMMMGPOBSA-N 1 0 301.368 1.085 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(N2CCC([N@H+](C)CCCO)CC2)n1 ZINC000178226345 281010577 /nfs/dbraw/zinc/01/05/77/281010577.db2.gz IJSJANAGKATGST-UHFFFAOYSA-N 1 0 308.382 1.581 20 5 DDBDRO C[C@H](CCS(C)(=O)=O)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449188255 289502400 /nfs/dbraw/zinc/50/24/00/289502400.db2.gz JYILPXNYUXZXCS-VXGBXAGGSA-N 1 0 314.407 1.939 20 5 DDBDRO Cn1ccc(CC[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)n1 ZINC000447600800 294341844 /nfs/dbraw/zinc/34/18/44/294341844.db2.gz NRWFQEOALZOXED-UONOGXRCSA-N 1 0 318.381 1.841 20 5 DDBDRO [NH3+]C1CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000237875802 295214257 /nfs/dbraw/zinc/21/42/57/295214257.db2.gz BHWNJQMNEUOMBT-UHFFFAOYSA-N 1 0 319.770 1.360 20 5 DDBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000288590594 297262525 /nfs/dbraw/zinc/26/25/25/297262525.db2.gz YBGGPJKZVBMZRW-VXGBXAGGSA-N 1 0 318.377 1.876 20 5 DDBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000573611512 304603745 /nfs/dbraw/zinc/60/37/45/304603745.db2.gz TYJUKWAQCCUXMY-UWVGGRQHSA-N 1 0 318.337 1.031 20 5 DDBDRO C[N@@H+]1CC[C@@](O)(CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000358061661 299061907 /nfs/dbraw/zinc/06/19/07/299061907.db2.gz HAKURBFZOLYZTI-CYBMUJFWSA-N 1 0 313.741 1.045 20 5 DDBDRO COc1cc(C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000362910234 300176551 /nfs/dbraw/zinc/17/65/51/300176551.db2.gz HDKMYYSTTYICNP-CYBMUJFWSA-N 1 0 319.361 1.914 20 5 DDBDRO Cn1cc(C[C@H]2CC[N@H+](Cc3c([N+](=O)[O-])ncn3C)C2)cn1 ZINC000363129518 300216734 /nfs/dbraw/zinc/21/67/34/300216734.db2.gz IBEJEERRPAGKSD-LLVKDONJSA-N 1 0 304.354 1.126 20 5 DDBDRO O=C(Nc1ccncc1[N+](=O)[O-])N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000364683500 300430597 /nfs/dbraw/zinc/43/05/97/300430597.db2.gz FSKXCCDGROZMHN-GFCCVEGCSA-N 1 0 319.365 1.504 20 5 DDBDRO O=C(COc1ccccc1[N+](=O)[O-])N1CCC2(C1)CC[NH2+]CC2 ZINC000367358676 300835489 /nfs/dbraw/zinc/83/54/89/300835489.db2.gz NNPWUEUPVVJIFT-UHFFFAOYSA-N 1 0 319.361 1.576 20 5 DDBDRO CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000368222503 300980401 /nfs/dbraw/zinc/98/04/01/300980401.db2.gz KUWRLMNWVPIAED-HUUCEWRRSA-N 1 0 305.378 1.888 20 5 DDBDRO O=C(N[C@H]1CC12CC[NH2+]CC2)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000368379111 301014756 /nfs/dbraw/zinc/01/47/56/301014756.db2.gz TWESEBFWWLPTEG-LBPRGKRZSA-N 1 0 320.305 1.375 20 5 DDBDRO O=[N+]([O-])c1ccccc1CN1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000369282393 301156155 /nfs/dbraw/zinc/15/61/55/301156155.db2.gz ZUHJQAROACAONE-JKSUJKDBSA-N 1 0 305.378 1.626 20 5 DDBDRO O=[N+]([O-])c1ccccc1CN1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000369282390 301156445 /nfs/dbraw/zinc/15/64/45/301156445.db2.gz ZUHJQAROACAONE-CVEARBPZSA-N 1 0 305.378 1.626 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@H]3OCC[C@H]32)c1 ZINC000369788480 301225124 /nfs/dbraw/zinc/22/51/24/301225124.db2.gz SKCUFFRRNVNHBM-NUEKZKHPSA-N 1 0 322.361 1.588 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2CCCC23CCOCC3)c1 ZINC000370296613 301311589 /nfs/dbraw/zinc/31/15/89/301311589.db2.gz HUDZEXALSWTALM-KGLIPLIRSA-N 1 0 324.381 1.091 20 5 DDBDRO C[N@@H+]1CCC[C@@H](N2CCN(c3ccc(N)cc3[N+](=O)[O-])CC2)C1 ZINC000376176628 302045810 /nfs/dbraw/zinc/04/58/10/302045810.db2.gz YCGNTZGDKWVNME-CQSZACIVSA-N 1 0 319.409 1.393 20 5 DDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000376512276 302088216 /nfs/dbraw/zinc/08/82/16/302088216.db2.gz JDHRWABTFYZNIQ-GFCCVEGCSA-N 1 0 304.350 1.487 20 5 DDBDRO Cc1cccc(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c1[N+](=O)[O-] ZINC000377481537 302183939 /nfs/dbraw/zinc/18/39/39/302183939.db2.gz LZKAHZGMXOUWRT-CHWSQXEVSA-N 1 0 319.361 1.496 20 5 DDBDRO O=[N+]([O-])c1ccn(CCN2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)n1 ZINC000377963508 302257865 /nfs/dbraw/zinc/25/78/65/302257865.db2.gz UYDKLOYVNBJCGI-RDBSUJKOSA-N 1 0 305.382 1.207 20 5 DDBDRO Cc1cc(N2CC[C@H](O)[C@@H](CO)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000396825623 302350013 /nfs/dbraw/zinc/35/00/13/302350013.db2.gz BOZBDUUJFOXXOP-BZNIZROVSA-N 1 0 317.345 1.631 20 5 DDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H](C)C[NH3+] ZINC000447242162 302395444 /nfs/dbraw/zinc/39/54/44/302395444.db2.gz AOLLKYCUKDNUSI-VIFPVBQESA-N 1 0 301.368 1.030 20 5 DDBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC(OCC[NH+](C)C)CC1 ZINC000356210855 306843508 /nfs/dbraw/zinc/84/35/08/306843508.db2.gz GAUFMFCCUYFMCT-UHFFFAOYSA-N 1 0 308.382 1.845 20 5 DDBDRO CC(C)[C@@H](CNc1nccc(C(N)=O)c1[N+](=O)[O-])[NH+]1CCCC1 ZINC000357297381 306874658 /nfs/dbraw/zinc/87/46/58/306874658.db2.gz GXWGOVNVKTWSOV-GFCCVEGCSA-N 1 0 321.381 1.621 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000533076710 303307135 /nfs/dbraw/zinc/30/71/35/303307135.db2.gz OMINSOLYOAMNBN-UHFFFAOYSA-N 1 0 308.382 1.784 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCCC12CC[NH+](C)CC2 ZINC000534349269 303332649 /nfs/dbraw/zinc/33/26/49/303332649.db2.gz OFIQHTDXQPVYHI-UHFFFAOYSA-N 1 0 306.366 1.634 20 5 DDBDRO [NH3+]C[C@H]1CN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])CCCO1 ZINC000313347196 303430411 /nfs/dbraw/zinc/43/04/11/303430411.db2.gz COHXNEDMSKRNKX-QMMMGPOBSA-N 1 0 320.271 1.563 20 5 DDBDRO C[C@H](C[NH+]1CCOCC1)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000544040113 303468311 /nfs/dbraw/zinc/46/83/11/303468311.db2.gz IOLAUOWVOUMBSQ-GFCCVEGCSA-N 1 0 307.350 1.179 20 5 DDBDRO C[NH+](C)CCN(Cc1ccco1)C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000548090698 303570704 /nfs/dbraw/zinc/57/07/04/303570704.db2.gz KMQVGWAVENVIGV-UHFFFAOYSA-N 1 0 307.310 1.115 20 5 DDBDRO C[C@H]([NH2+]CCN1CCCS1(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000358097850 306929125 /nfs/dbraw/zinc/92/91/25/306929125.db2.gz OEAKHHKJJHJYPE-NSHDSACASA-N 1 0 313.379 1.281 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)c1 ZINC000365350928 307065501 /nfs/dbraw/zinc/06/55/01/307065501.db2.gz AMHMORPTJFAAIY-GWCFXTLKSA-N 1 0 305.334 1.427 20 5 DDBDRO CN(C(=O)COc1cccc([N+](=O)[O-])c1)[C@H]1CCC[NH2+]CC1 ZINC000372569020 307171167 /nfs/dbraw/zinc/17/11/67/307171167.db2.gz IEDUJMAIWBZMPJ-LBPRGKRZSA-N 1 0 307.350 1.574 20 5 DDBDRO COC(=O)[C@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)CC12CCC2 ZINC000373175647 307181199 /nfs/dbraw/zinc/18/11/99/307181199.db2.gz ANLBMMHJLVXJDV-LLVKDONJSA-N 1 0 308.338 1.066 20 5 DDBDRO O=C(c1ccc([N+](=O)[O-])cn1)N1CCCC2(CC[NH2+]CC2)C1 ZINC000375355220 307223997 /nfs/dbraw/zinc/22/39/97/307223997.db2.gz IYNVYEUHWADUHT-UHFFFAOYSA-N 1 0 304.350 1.596 20 5 DDBDRO COc1cc(N2CCCN(CC[NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000377837793 307277109 /nfs/dbraw/zinc/27/71/09/307277109.db2.gz RCISAPJGUQYAHV-UHFFFAOYSA-N 1 0 322.409 1.677 20 5 DDBDRO CC(C)([NH3+])c1nocc1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000563414640 307969197 /nfs/dbraw/zinc/96/91/97/307969197.db2.gz XGXWLXTTWLAOIN-UHFFFAOYSA-N 1 0 304.306 1.707 20 5 DDBDRO CN1CCC([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000566909738 308066250 /nfs/dbraw/zinc/06/62/50/308066250.db2.gz MLUVNRGDRWCERJ-UHFFFAOYSA-N 1 0 306.366 1.607 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](CC[NH3+])C(F)F)c1 ZINC000575802016 308279958 /nfs/dbraw/zinc/27/99/58/308279958.db2.gz DQRVYJHHBVITJY-VIFPVBQESA-N 1 0 303.265 1.316 20 5 DDBDRO [NH3+]C[C@@H]1CCCN(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000576848619 308344448 /nfs/dbraw/zinc/34/44/48/308344448.db2.gz GWKOTRDZWPVAEP-LBPRGKRZSA-N 1 0 322.365 1.354 20 5 DDBDRO C[C@H]([NH3+])C[C@H](C)NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000576942768 308351156 /nfs/dbraw/zinc/35/11/56/308351156.db2.gz JIEQYUYTGWGZOA-QWRGUYRKSA-N 1 0 315.395 1.183 20 5 DDBDRO COCC1(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCC1 ZINC000577173019 308367679 /nfs/dbraw/zinc/36/76/79/308367679.db2.gz RDZAMRXMFQRQLA-CQSZACIVSA-N 1 0 324.377 1.741 20 5 DDBDRO COC(=O)c1cc(C)nc(N2CC[C@@H](C[NH+](C)C)C2)c1[N+](=O)[O-] ZINC000577213920 308371222 /nfs/dbraw/zinc/37/12/22/308371222.db2.gz MKZKPCWTRANXMS-NSHDSACASA-N 1 0 322.365 1.473 20 5 DDBDRO COc1ccc(CC(=O)NC(C)(C)CCC[NH3+])cc1[N+](=O)[O-] ZINC000577364917 308382174 /nfs/dbraw/zinc/38/21/74/308382174.db2.gz IHYGZIWYJGWBNI-UHFFFAOYSA-N 1 0 309.366 1.780 20 5 DDBDRO CC(C)[C@H]([NH3+])CNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000580324525 308596622 /nfs/dbraw/zinc/59/66/22/308596622.db2.gz XXBKDICHCIXUSJ-LLVKDONJSA-N 1 0 309.322 1.079 20 5 DDBDRO CC(C)[NH2+]CCCNC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000582122730 325975064 /nfs/dbraw/zinc/97/50/64/325975064.db2.gz XYCMBJLORZVGFP-UHFFFAOYSA-N 1 0 308.382 1.535 20 5 DDBDRO [NH3+][C@@H](C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)C1CCC1 ZINC000583629370 336001173 /nfs/dbraw/zinc/00/11/73/336001173.db2.gz FAMURIUHKJNLNV-CYBMUJFWSA-N 1 0 307.354 1.082 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@@H](c3cccnc3)C2)c1 ZINC000582724549 337125659 /nfs/dbraw/zinc/12/56/59/337125659.db2.gz ZVZXYFQCZZVFDK-UKRRQHHQSA-N 1 0 317.349 1.037 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@@H]2CCC(F)(F)C2)c1 ZINC000584465690 337346800 /nfs/dbraw/zinc/34/68/00/337346800.db2.gz WVLQGTZEZLBKKD-KOLCDFICSA-N 1 0 304.297 1.177 20 5 DDBDRO O=C(CC[NH2+]C[C@@H]1CCC[C@H]1O)Nc1ccccc1[N+](=O)[O-] ZINC000584530041 337356669 /nfs/dbraw/zinc/35/66/69/337356669.db2.gz JFSDWDZSDDAZPH-SMDDNHRTSA-N 1 0 307.350 1.674 20 5 DDBDRO CC[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000361591242 484521847 /nfs/dbraw/zinc/52/18/47/484521847.db2.gz YPNRDUHHDYWNKI-STQMWFEESA-N 1 0 310.350 1.445 20 5 DDBDRO COC(=O)c1cc(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cc([N+](=O)[O-])c1 ZINC000423599656 533739814 /nfs/dbraw/zinc/73/98/14/533739814.db2.gz XQBTZLFIVPZYQW-VXGBXAGGSA-N 1 0 321.333 1.381 20 5 DDBDRO Cc1c(CNC(=O)NC2(C)CC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000418077493 533855416 /nfs/dbraw/zinc/85/54/16/533855416.db2.gz HXAYYASMLVXMCJ-UHFFFAOYSA-N 1 0 306.366 1.845 20 5 DDBDRO COc1cc(C[NH2+]C[C@@]2(O)CCC[C@@H]2C)c([N+](=O)[O-])cc1O ZINC000293009844 533882741 /nfs/dbraw/zinc/88/27/41/533882741.db2.gz NVIAFXMYTJEFJR-BONVTDFDSA-N 1 0 310.350 1.950 20 5 DDBDRO C[C@H]1CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H](C)C[NH2+]1 ZINC000420408962 533926533 /nfs/dbraw/zinc/92/65/33/533926533.db2.gz WNOVHPMYGWNTGP-RYUDHWBXSA-N 1 0 306.366 1.606 20 5 DDBDRO C[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCCO1 ZINC000295848472 533978314 /nfs/dbraw/zinc/97/83/14/533978314.db2.gz BUQUVXZLYLVNBI-HUBLWGQQSA-N 1 0 321.377 1.929 20 5 DDBDRO C[C@@H]1OCC[C@]1(C)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000494278138 534205705 /nfs/dbraw/zinc/20/57/05/534205705.db2.gz XICHJSFOEDTGIL-WHOFXGATSA-N 1 0 310.350 1.492 20 5 DDBDRO Cc1nc(NCCN2CCC([NH+](C)C)CC2)ncc1[N+](=O)[O-] ZINC000297596282 534488039 /nfs/dbraw/zinc/48/80/39/534488039.db2.gz UNQQJAMJYWCWNH-UHFFFAOYSA-N 1 0 308.386 1.131 20 5 DDBDRO O=C([C@H]1C[C@]12CC[NH2+]C2)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000444119759 534647390 /nfs/dbraw/zinc/64/73/90/534647390.db2.gz BQWIMWAEKDONKQ-ZBFHGGJFSA-N 1 0 301.346 1.479 20 5 DDBDRO CC(C)(CC[NH3+])NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000424047585 527029489 /nfs/dbraw/zinc/02/94/89/527029489.db2.gz OJKYHNLBVLHYNQ-UHFFFAOYSA-N 1 0 317.349 1.638 20 5 DDBDRO CC(C)(NC(=O)NC[C@H]([NH3+])C1CC1)c1ccccc1[N+](=O)[O-] ZINC000418484220 527273291 /nfs/dbraw/zinc/27/32/91/527273291.db2.gz FZHRXBHJSROXSD-LBPRGKRZSA-N 1 0 306.366 1.866 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)N(C)[C@@H]2C[NH+]3CCC2CC3)c1[N+](=O)[O-] ZINC000433757215 527998445 /nfs/dbraw/zinc/99/84/45/527998445.db2.gz IRFIDUWCZQBPRU-LLVKDONJSA-N 1 0 321.381 1.608 20 5 DDBDRO CC(C)[C@H](C(=O)NCCNc1ccccc1[N+](=O)[O-])[C@H](C)[NH3+] ZINC000422935977 528918012 /nfs/dbraw/zinc/91/80/12/528918012.db2.gz LLJONKDJGLXJRH-FZMZJTMJSA-N 1 0 308.382 1.742 20 5 DDBDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000457137206 529073982 /nfs/dbraw/zinc/07/39/82/529073982.db2.gz XDRRAHPYLJUSIY-LBPRGKRZSA-N 1 0 309.370 1.123 20 5 DDBDRO C[NH2+][C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)C1 ZINC000133873338 696831134 /nfs/dbraw/zinc/83/11/34/696831134.db2.gz FSQCFWHXVFTODK-JTQLQIEISA-N 1 0 322.321 1.635 20 5 DDBDRO CC[C@@](C)(CC(=O)OC)[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000134077652 696833837 /nfs/dbraw/zinc/83/38/37/696833837.db2.gz IYRFHGPUKOOYHH-HNNXBMFYSA-N 1 0 323.349 1.515 20 5 DDBDRO CN(CCC[NH+](C)C)C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000775817264 698041269 /nfs/dbraw/zinc/04/12/69/698041269.db2.gz GIBMDZPISFQFQQ-UHFFFAOYSA-N 1 0 313.329 1.523 20 5 DDBDRO COCCOC[C@@H]1CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776590325 698123515 /nfs/dbraw/zinc/12/35/15/698123515.db2.gz ZNRKORDBTXXAMA-CJNGLKHVSA-N 1 0 324.377 1.613 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CCCCCCO)CC2)cn1 ZINC000750176926 700207989 /nfs/dbraw/zinc/20/79/89/700207989.db2.gz CFKPQRDAPUJWCX-UHFFFAOYSA-N 1 0 308.382 1.665 20 5 DDBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)C(=O)NCCF ZINC000800530906 700231071 /nfs/dbraw/zinc/23/10/71/700231071.db2.gz YHMSXBMJEHBVOH-QMMMGPOBSA-N 1 0 303.721 1.812 20 5 DDBDRO COCCO[C@@H]1CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000781961840 698666537 /nfs/dbraw/zinc/66/65/37/698666537.db2.gz JQDUYENKQWAOEK-HUUCEWRRSA-N 1 0 310.350 1.366 20 5 DDBDRO NC(=O)c1ccc(CN2CC[C@]3(CCC[NH2+]3)C2)c([N+](=O)[O-])c1 ZINC000420402950 699139368 /nfs/dbraw/zinc/13/93/68/699139368.db2.gz MNRFAHIMXHIWMC-OAHLLOKOSA-N 1 0 304.350 1.022 20 5 DDBDRO CN(C(=O)CN1CC[C@@]2(CCC[NH2+]2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000420407289 699139702 /nfs/dbraw/zinc/13/97/02/699139702.db2.gz RYKMIVUMNBUORR-INIZCTEOSA-N 1 0 318.377 1.386 20 5 DDBDRO COCCN1CC[C@H]([NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000788592502 699325899 /nfs/dbraw/zinc/32/58/99/699325899.db2.gz CEQZEGLPEFFTBV-AAEUAGOBSA-N 1 0 308.382 1.548 20 5 DDBDRO O=[N+]([O-])c1cnccc1NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000727430913 699411932 /nfs/dbraw/zinc/41/19/32/699411932.db2.gz GROGHTSBLGGENA-CYBMUJFWSA-N 1 0 306.366 1.467 20 5 DDBDRO Cc1cc(C(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)c(N)c([N+](=O)[O-])c1 ZINC000729527397 699481527 /nfs/dbraw/zinc/48/15/27/699481527.db2.gz MGAFKUUHQFIUCR-LBPRGKRZSA-N 1 0 320.393 1.946 20 5 DDBDRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NCC[N+](=O)[O-])CC1 ZINC000791053324 699608868 /nfs/dbraw/zinc/60/88/68/699608868.db2.gz DGTYLZIGXDRQLI-CYBMUJFWSA-N 1 0 324.400 1.895 20 5 DDBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)C[C@H]1C ZINC000801934917 700357212 /nfs/dbraw/zinc/35/72/12/700357212.db2.gz SSQPQBGYBXLIFK-NXEZZACHSA-N 1 0 324.356 1.871 20 5 DDBDRO COC(=O)C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000754512332 700506482 /nfs/dbraw/zinc/50/64/82/700506482.db2.gz CPKPHFLYVJFBAG-AWEZNQCLSA-N 1 0 308.334 1.905 20 5 DDBDRO COC(=O)C[C@@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000754517788 700507289 /nfs/dbraw/zinc/50/72/89/700507289.db2.gz NHWPIPJNFFUNOW-KGLIPLIRSA-N 1 0 308.334 1.560 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)OCC[C@@H]2CCCC[N@@H+]2C)n1 ZINC000755575163 700571620 /nfs/dbraw/zinc/57/16/20/700571620.db2.gz VDNMCJQVRVFQQY-NSHDSACASA-N 1 0 310.354 1.842 20 5 DDBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000758332461 700699191 /nfs/dbraw/zinc/69/91/91/700699191.db2.gz BJFDNSBOFSVNLQ-NOZJJQNGSA-N 1 0 307.325 1.946 20 5 DDBDRO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000762720660 700904555 /nfs/dbraw/zinc/90/45/55/700904555.db2.gz YPCWMVQWVDHTRT-CKDIWJPDSA-N 1 0 319.361 1.181 20 5 DDBDRO Cc1nnc([C@@H]2CC[N@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)[nH]1 ZINC000839660906 701770506 /nfs/dbraw/zinc/77/05/06/701770506.db2.gz ZLENMCAUWWDJEH-TZMCWYRMSA-N 1 0 317.349 1.544 20 5 DDBDRO C[C@@H]1CN(Cn2ncc3cc([N+](=O)[O-])ccc32)C[C@H](C)[N@H+]1C ZINC000840087850 701961080 /nfs/dbraw/zinc/96/10/80/701961080.db2.gz BQLFTZCGJKFZHR-TXEJJXNPSA-N 1 0 303.366 1.926 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)OCC[C@@H]1CCCC[N@H+]1C ZINC000840226025 702035718 /nfs/dbraw/zinc/03/57/18/702035718.db2.gz SJBHVILSQZGFHA-ZDUSSCGKSA-N 1 0 324.381 1.907 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)NOC2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000816532984 702107618 /nfs/dbraw/zinc/10/76/18/702107618.db2.gz FEUDQDNCUOEYCB-UHFFFAOYSA-N 1 0 311.342 1.197 20 5 DDBDRO CO[C@H]1CC[C@H](C)[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000879322293 706649349 /nfs/dbraw/zinc/64/93/49/706649349.db2.gz JGCPUVOPSIPDPY-GWCFXTLKSA-N 1 0 307.350 1.693 20 5 DDBDRO O=[N+]([O-])c1cc2c(cc1CN1CC[C@]3(CCC[NH2+]3)C1)OCCO2 ZINC000841105622 702348666 /nfs/dbraw/zinc/34/86/66/702348666.db2.gz SHKMPSBUFVLAJY-MRXNPFEDSA-N 1 0 319.361 1.694 20 5 DDBDRO CC(C)([NH3+])CNC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000841951623 702633379 /nfs/dbraw/zinc/63/33/79/702633379.db2.gz VOMPQZOIIKXWKP-UHFFFAOYSA-N 1 0 321.381 1.164 20 5 DDBDRO Cc1nn(CCc2nc([C@H]3CCC[NH2+]C3)no2)c(C)c1[N+](=O)[O-] ZINC000842667218 702753410 /nfs/dbraw/zinc/75/34/10/702753410.db2.gz JABAZQLSYYBZNQ-NSHDSACASA-N 1 0 320.353 1.501 20 5 DDBDRO [NH3+]C1CC2(C1)CC(NS(=O)(=O)c1ccc([N+](=O)[O-])s1)C2 ZINC000842795793 702775062 /nfs/dbraw/zinc/77/50/62/702775062.db2.gz XOKYZOMHINWNCS-UHFFFAOYSA-N 1 0 317.392 1.205 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H](CO)[C@@H]2CCCOC2)c1 ZINC000843116591 702822254 /nfs/dbraw/zinc/82/22/54/702822254.db2.gz QQRCWLNEORGCPR-VHDGCEQUSA-N 1 0 310.350 1.005 20 5 DDBDRO COc1cc(Cc2noc(C[C@H]([NH3+])C3CC3)n2)ccc1[N+](=O)[O-] ZINC000843192383 702838192 /nfs/dbraw/zinc/83/81/92/702838192.db2.gz TYQFOTUUUKAZIH-NSHDSACASA-N 1 0 318.333 1.857 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)cc1[N+](=O)[O-] ZINC000843471466 702888500 /nfs/dbraw/zinc/88/85/00/702888500.db2.gz VHUMNIQVEMIPPI-GZMMTYOYSA-N 1 0 322.321 1.539 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CC[C@](C)(C[NH3+])C2)cc1[N+](=O)[O-] ZINC000843474592 702889330 /nfs/dbraw/zinc/88/93/30/702889330.db2.gz RQGAVNCHOBGSEP-CQSZACIVSA-N 1 0 322.321 1.622 20 5 DDBDRO Cc1c(CNC(=O)CO[C@@H]2CCC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000843496101 702893542 /nfs/dbraw/zinc/89/35/42/702893542.db2.gz UUDDLHWXRNAQTB-CYBMUJFWSA-N 1 0 307.350 1.288 20 5 DDBDRO Cc1c(C(=O)N[C@H](C)C[C@@H](C)[NH3+])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000843503036 702896093 /nfs/dbraw/zinc/89/60/93/702896093.db2.gz IUTKCCKBDTUADU-HTQZYQBOSA-N 1 0 310.310 1.667 20 5 DDBDRO CC[C@@H](CO)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000844257253 703001407 /nfs/dbraw/zinc/00/14/07/703001407.db2.gz XEQFBZDBHDXYJW-JTQLQIEISA-N 1 0 311.338 1.293 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H](CO)CCF)CC2)cc1 ZINC000846097696 703237690 /nfs/dbraw/zinc/23/76/90/703237690.db2.gz LKVOVVQGZNMVNA-CYBMUJFWSA-N 1 0 311.357 1.874 20 5 DDBDRO CN1C[C@H]([N@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCC1=O ZINC000846921251 703351980 /nfs/dbraw/zinc/35/19/80/703351980.db2.gz REWZLMBIIVVDEW-KGLIPLIRSA-N 1 0 307.350 1.181 20 5 DDBDRO Cc1noc(C[N@@H+]2CCC[C@H](C3(C)OCCO3)C2)c1[N+](=O)[O-] ZINC000851924521 703883891 /nfs/dbraw/zinc/88/38/91/703883891.db2.gz OPUWKAGYLGMLCF-NSHDSACASA-N 1 0 311.338 1.866 20 5 DDBDRO Cc1c(C(=O)N[C@@H](C[NH3+])CC(C)C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000818555057 703925028 /nfs/dbraw/zinc/92/50/28/703925028.db2.gz JKHMDMFSGOUCDE-SNVBAGLBSA-N 1 0 324.337 1.915 20 5 DDBDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000818563506 703927070 /nfs/dbraw/zinc/92/70/70/703927070.db2.gz NSIPWSVXQJTLRC-GHMZBOCLSA-N 1 0 306.366 1.470 20 5 DDBDRO C[C@@]1(C[NH3+])CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000818594835 703933879 /nfs/dbraw/zinc/93/38/79/703933879.db2.gz YTOUOQIXJFEYEY-ZDUSSCGKSA-N 1 0 308.294 1.314 20 5 DDBDRO Cc1c(C(=O)N[C@H](C[NH3+])C(C)(C)C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000818614049 703942100 /nfs/dbraw/zinc/94/21/00/703942100.db2.gz OPIVRSLVWDWINX-GFCCVEGCSA-N 1 0 324.337 1.915 20 5 DDBDRO O=C(CCC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)NC1CC1 ZINC000818961053 704035472 /nfs/dbraw/zinc/03/54/72/704035472.db2.gz LCAKIAYXPHEPEI-CQSZACIVSA-N 1 0 307.350 1.277 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000818963294 704036157 /nfs/dbraw/zinc/03/61/57/704036157.db2.gz NTSXJOWQFLYJAS-IJEWVQPXSA-N 1 0 305.378 1.845 20 5 DDBDRO CC(C)OC(=O)[C@H](C)C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819116719 704071869 /nfs/dbraw/zinc/07/18/69/704071869.db2.gz XYMXENNFQIHFLM-RISCZKNCSA-N 1 0 310.350 1.806 20 5 DDBDRO CC(C)(C)N1C[C@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000819126075 704073005 /nfs/dbraw/zinc/07/30/05/704073005.db2.gz IAQNRBCJLKSHPQ-TZMCWYRMSA-N 1 0 321.377 1.617 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CCCO[C@H]2CCOC2)cc1 ZINC000819149966 704076851 /nfs/dbraw/zinc/07/68/51/704076851.db2.gz MEWBGQMVIYYJDV-LSDHHAIUSA-N 1 0 310.350 1.413 20 5 DDBDRO CCOC(=O)C[C@@H](C)C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819193962 704084534 /nfs/dbraw/zinc/08/45/34/704084534.db2.gz MYQATBQZSYWYJH-RISCZKNCSA-N 1 0 310.350 1.807 20 5 DDBDRO CCOC(=O)C[C@H](C)C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819193960 704084632 /nfs/dbraw/zinc/08/46/32/704084632.db2.gz MYQATBQZSYWYJH-FZMZJTMJSA-N 1 0 310.350 1.807 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@H]2CCn3ccnc3C2)c1 ZINC000819244904 704094079 /nfs/dbraw/zinc/09/40/79/704094079.db2.gz PNMPPRZEINLNDW-JSGCOSHPSA-N 1 0 302.334 1.429 20 5 DDBDRO CC(C)[C@@H](C(=O)OC1CC(n2cc([N+](=O)[O-])cn2)C1)[NH+](C)C ZINC000870828529 704137734 /nfs/dbraw/zinc/13/77/34/704137734.db2.gz RBMGRLXNZROQTF-GDKBPFBDSA-N 1 0 310.354 1.624 20 5 DDBDRO C[C@]12COC[C@H]1C[N@H+](Cn1ncc3ccc([N+](=O)[O-])cc31)C2 ZINC000853565926 704271780 /nfs/dbraw/zinc/27/17/80/704271780.db2.gz KQZQQFKFJRNRFM-DOMZBBRYSA-N 1 0 302.334 1.870 20 5 DDBDRO [NH3+][C@H]1CCCN(C(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000857762945 704621521 /nfs/dbraw/zinc/62/15/21/704621521.db2.gz JHPCNJYLQNEFOG-VIFPVBQESA-N 1 0 315.276 1.516 20 5 DDBDRO C[C@@H](CCC[NH3+])NC(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857765379 704622279 /nfs/dbraw/zinc/62/22/79/704622279.db2.gz GEUKJYZPTLSXCI-VIFPVBQESA-N 1 0 317.292 1.810 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N(C)C[C@@H](C)[NH3+])c1 ZINC000858640042 704738302 /nfs/dbraw/zinc/73/83/02/704738302.db2.gz MEQZNRPXYVVIAV-SECBINFHSA-N 1 0 301.368 1.179 20 5 DDBDRO COC[C@@]1(c2nc(-c3ccc([N+](=O)[O-])cc3C)no2)CC[NH2+]C1 ZINC000822808014 705045720 /nfs/dbraw/zinc/04/57/20/705045720.db2.gz NVORLQOWXNVMEH-OAHLLOKOSA-N 1 0 318.333 1.831 20 5 DDBDRO CC(=O)NC[C@H]1CCCC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000860176992 705124070 /nfs/dbraw/zinc/12/40/70/705124070.db2.gz LFPMQRHCWIYUGN-CVEARBPZSA-N 1 0 321.377 1.619 20 5 DDBDRO COc1cccc(C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3C)c1[N+](=O)[O-] ZINC000874827847 705186602 /nfs/dbraw/zinc/18/66/02/705186602.db2.gz DULZTCRMSKXMSF-STQMWFEESA-N 1 0 319.361 1.912 20 5 DDBDRO Cc1ccc(CNC(=O)N(C)CCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000876169027 705646803 /nfs/dbraw/zinc/64/68/03/705646803.db2.gz JKBWNKFBDORIHB-UHFFFAOYSA-N 1 0 308.382 1.996 20 5 DDBDRO Nc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000863032903 705852409 /nfs/dbraw/zinc/85/24/09/705852409.db2.gz QVVATGIPHMILRV-NSHDSACASA-N 1 0 319.365 1.319 20 5 DDBDRO COC(=O)C1=CC[C@@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000863572307 705961305 /nfs/dbraw/zinc/96/13/05/705961305.db2.gz NFWNZQSWROJFKL-OCCSQVGLSA-N 1 0 306.318 1.480 20 5 DDBDRO O=C1[C@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCN1C1CCC1 ZINC000863591314 705965962 /nfs/dbraw/zinc/96/59/62/705965962.db2.gz XGAAXGWXRANLPV-HUUCEWRRSA-N 1 0 319.361 1.371 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(F)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000827300688 705971462 /nfs/dbraw/zinc/97/14/62/705971462.db2.gz NCAPKWQUKMILIL-MFKMUULPSA-N 1 0 307.325 1.900 20 5 DDBDRO CC[C@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)[C@@H](O)C(F)(F)F ZINC000877125837 705991695 /nfs/dbraw/zinc/99/16/95/705991695.db2.gz AYYPUJAEINSJMR-MQBNAMFZSA-N 1 0 322.287 1.786 20 5 DDBDRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)CCc1cccc([N+](=O)[O-])c1)C2 ZINC000877376904 706086327 /nfs/dbraw/zinc/08/63/27/706086327.db2.gz RLLJHAASHXFLSV-XJKSGUPXSA-N 1 0 303.362 1.595 20 5 DDBDRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)CCNc1ccccc1[N+](=O)[O-])C2 ZINC000877378951 706087091 /nfs/dbraw/zinc/08/70/91/706087091.db2.gz HHOHIQOSZKSIDE-BLLLJJGKSA-N 1 0 318.377 1.465 20 5 DDBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000877399429 706096279 /nfs/dbraw/zinc/09/62/79/706096279.db2.gz RJVHUGISDZYHKI-GOEBONIOSA-N 1 0 318.377 1.798 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H]2[C@@H]3OC[C@@H]4C[C@H]2C[C@@H]43)c1 ZINC000872218906 707334732 /nfs/dbraw/zinc/33/47/32/707334732.db2.gz BSMZLRMPDDGXBZ-HVCGAPEVSA-N 1 0 304.346 1.641 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](CCn3cnnn3)C2)cc1 ZINC000878679163 706466931 /nfs/dbraw/zinc/46/69/31/706466931.db2.gz ULIHYFPWEAMHIC-CYBMUJFWSA-N 1 0 302.338 1.461 20 5 DDBDRO C[NH+](C)C[C@@]1(O)CCCN(c2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000865924721 706565340 /nfs/dbraw/zinc/56/53/40/706565340.db2.gz VHTGZXXVECOODC-AWEZNQCLSA-N 1 0 315.320 1.766 20 5 DDBDRO O=[N+]([O-])c1cccc(F)c1CN1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC000880069378 706869639 /nfs/dbraw/zinc/86/96/39/706869639.db2.gz HNPXXGMAXRNOIL-NWDGAFQWSA-N 1 0 309.341 1.375 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC=C[C@H]1CO ZINC000880490415 706992644 /nfs/dbraw/zinc/99/26/44/706992644.db2.gz QLSRBPKTHHPUAS-ZDUSSCGKSA-N 1 0 305.334 1.465 20 5 DDBDRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000834637285 707097305 /nfs/dbraw/zinc/09/73/05/707097305.db2.gz XEAVGJIRXRFJRS-ZWNOBZJWSA-N 1 0 317.349 1.059 20 5 DDBDRO C[C@]12C[NH2+]C[C@H]1CN(CC(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC000872148966 707303008 /nfs/dbraw/zinc/30/30/08/707303008.db2.gz JMYZXKNLVZHDKJ-XHDPSFHLSA-N 1 0 304.350 1.075 20 5 DDBDRO O=C(CC[N@@H+]1C[C@@H]2COC[C@@H]2C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000872320504 707381027 /nfs/dbraw/zinc/38/10/27/707381027.db2.gz ZVKLDXWANKLAHA-PHIMTYICSA-N 1 0 323.324 1.641 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000873297848 707802958 /nfs/dbraw/zinc/80/29/58/707802958.db2.gz BWDHBODCXOYBHB-QWHCGFSZSA-N 1 0 303.362 1.893 20 5 DDBDRO O=C(OCC[NH+]1CCCCC1)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000838287675 707888561 /nfs/dbraw/zinc/88/85/61/707888561.db2.gz ZXZJIBXHTOLACW-CQSZACIVSA-N 1 0 308.334 1.657 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2cccc3c2CCOC3)c1 ZINC000883051251 707913536 /nfs/dbraw/zinc/91/35/36/707913536.db2.gz UGNYYVSRRAPYPY-UHFFFAOYSA-N 1 0 302.334 1.654 20 5 DDBDRO C[NH2+]C[C@H]1CCCCN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000883449264 708005057 /nfs/dbraw/zinc/00/50/57/708005057.db2.gz HHVIEAPJJLDYPI-OAHLLOKOSA-N 1 0 320.393 1.632 20 5 DDBDRO CC1(C)C[NH2+]C[C@H]1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000884133960 708155142 /nfs/dbraw/zinc/15/51/42/708155142.db2.gz QHVKGPDUTAYWNT-ZDUSSCGKSA-N 1 0 307.350 1.335 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)c1C ZINC000884290759 708228791 /nfs/dbraw/zinc/22/87/91/708228791.db2.gz IOTWZYBHDMRYPD-QWHCGFSZSA-N 1 0 303.362 1.893 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCCc2cncn2C)c1C ZINC000897364996 708305660 /nfs/dbraw/zinc/30/56/60/708305660.db2.gz PIGXSMPVIPNWAW-UHFFFAOYSA-N 1 0 302.334 1.918 20 5 DDBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2noc3c2COCC3)cc1 ZINC000897367283 708306209 /nfs/dbraw/zinc/30/62/09/708306209.db2.gz YGRWQYRDZOEIIW-UHFFFAOYSA-N 1 0 303.318 1.988 20 5 DDBDRO CC(C)c1ccc(C[NH2+]CCCc2nnnn2C)cc1[N+](=O)[O-] ZINC000898042230 708526390 /nfs/dbraw/zinc/52/63/90/708526390.db2.gz MNSSBRYGQHNULI-UHFFFAOYSA-N 1 0 318.381 1.964 20 5 DDBDRO O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)c1ccc([N+](=O)[O-])o1 ZINC000885854671 708639755 /nfs/dbraw/zinc/63/97/55/708639755.db2.gz BGFAUJCAMCSXCK-NSHDSACASA-N 1 0 309.322 1.171 20 5 DDBDRO CCC[C@@H]1CN(Cc2cccnc2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000886099365 708698338 /nfs/dbraw/zinc/69/83/38/708698338.db2.gz YCOUMOUUFTXCCA-OAHLLOKOSA-N 1 0 322.409 1.923 20 5 DDBDRO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@H]3C[C@]34CCOC4)CC2)n1 ZINC000886174996 708710022 /nfs/dbraw/zinc/71/00/22/708710022.db2.gz OFLMDSSHDFHKHK-DOMZBBRYSA-N 1 0 306.366 1.855 20 5 DDBDRO [NH3+]C[C@H]1CN(Cc2cccnc2[N+](=O)[O-])CC[C@@H]1C(F)(F)F ZINC000886841858 708859354 /nfs/dbraw/zinc/85/93/54/708859354.db2.gz YNFYKUCCODILLF-QWRGUYRKSA-N 1 0 318.299 1.949 20 5 DDBDRO Cc1c(CC(=O)N2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)cccc1[N+](=O)[O-] ZINC000887930373 709168191 /nfs/dbraw/zinc/16/81/91/709168191.db2.gz FPQCHLIQGWHCJV-PBHICJAKSA-N 1 0 317.389 1.856 20 5 DDBDRO CN(CC(=O)N1CC[C@H]([NH+]2CCC2)C1)c1ccccc1[N+](=O)[O-] ZINC000912915272 713122626 /nfs/dbraw/zinc/12/26/26/713122626.db2.gz KVLNMHYHFYUNMJ-ZDUSSCGKSA-N 1 0 318.377 1.338 20 5 DDBDRO C[NH+]1C[C@@]2(C)CN(C(=O)c3cccc([N+](=O)[O-])c3N)C[C@]2(C)C1 ZINC000913281649 713190621 /nfs/dbraw/zinc/19/06/21/713190621.db2.gz BKXWVECRULBESX-HOTGVXAUSA-N 1 0 318.377 1.591 20 5 DDBDRO Cc1cc(OCC(=O)N[C@H]2CC[N@H+](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000928438150 713195769 /nfs/dbraw/zinc/19/57/69/713195769.db2.gz SQQVRENQUJVQMG-AAEUAGOBSA-N 1 0 307.350 1.491 20 5 DDBDRO CC1(C)C[NH2+]C[C@@H]1N[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000902445245 710756988 /nfs/dbraw/zinc/75/69/88/710756988.db2.gz PJBGZRKUVNAJFD-XQQFMLRXSA-N 1 0 307.398 1.863 20 5 DDBDRO COc1cc([C@@H](C)[NH2+][C@H]2CCC(=O)N(C)C2)cc([N+](=O)[O-])c1 ZINC000903098360 711031469 /nfs/dbraw/zinc/03/14/69/711031469.db2.gz NPAWHJAFXDKZKC-PWSUYJOCSA-N 1 0 307.350 1.875 20 5 DDBDRO COc1cc([C@H](C)NC[C@@]2(O)CC[N@H+](C)C2)cc([N+](=O)[O-])c1 ZINC000903154147 711049753 /nfs/dbraw/zinc/04/97/53/711049753.db2.gz TVNDCMKFHJZYMU-NHYWBVRUSA-N 1 0 309.366 1.321 20 5 DDBDRO Cc1ccc([C@H](C)[NH2+]C[C@@]2(CO)COCCN2C)cc1[N+](=O)[O-] ZINC000903285922 711089032 /nfs/dbraw/zinc/08/90/32/711089032.db2.gz WTZZCEKOIZQUEN-XJKSGUPXSA-N 1 0 323.393 1.247 20 5 DDBDRO C[N@@H+]1CC[C@H]1CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000928565722 713230799 /nfs/dbraw/zinc/23/07/99/713230799.db2.gz BIWCEQSBJOSXQU-AWEZNQCLSA-N 1 0 306.366 1.607 20 5 DDBDRO O=C(NCc1ccccc1[N+](=O)[O-])C(F)(F)C1CC[NH2+]CC1 ZINC000912255273 711248580 /nfs/dbraw/zinc/24/85/80/711248580.db2.gz FOWGQLIOOIOZEQ-UHFFFAOYSA-N 1 0 313.304 1.846 20 5 DDBDRO O=[N+]([O-])c1ccccc1CNCc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903922761 711333553 /nfs/dbraw/zinc/33/35/53/711333553.db2.gz DLYLSQIXUIMNCY-CYBMUJFWSA-N 1 0 316.365 1.401 20 5 DDBDRO COCC[C@H]1C[NH2+]CCN1C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000904272218 711421378 /nfs/dbraw/zinc/42/13/78/711421378.db2.gz BEOBXHMBXRMYIP-ZDUSSCGKSA-N 1 0 322.365 1.745 20 5 DDBDRO COc1c(O)ccc(C[N@@H+]2C[C@H]3COC[C@@]3(C)C2)c1[N+](=O)[O-] ZINC000895386250 711500060 /nfs/dbraw/zinc/50/00/60/711500060.db2.gz PIUCGUBEOSRVSC-XHDPSFHLSA-N 1 0 308.334 1.777 20 5 DDBDRO COc1c(O)ccc(C[N@@H+]2CC[C@H](C)[C@@H](CO)C2)c1[N+](=O)[O-] ZINC000895515976 711531208 /nfs/dbraw/zinc/53/12/08/711531208.db2.gz YRQDJJSKZNFNFG-CMPLNLGQSA-N 1 0 310.350 1.759 20 5 DDBDRO Cc1nn(C)c(NC[C@H]2CC[N@@H+]2C2CCOCC2)c1[N+](=O)[O-] ZINC000896515827 711736488 /nfs/dbraw/zinc/73/64/88/711736488.db2.gz KOCLAVCLDRLEAJ-GFCCVEGCSA-N 1 0 309.370 1.302 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC23CC[NH+](CC2)C3)c1 ZINC000913627340 713271741 /nfs/dbraw/zinc/27/17/41/713271741.db2.gz GLNNKYSXYWFUMZ-UHFFFAOYSA-N 1 0 319.361 1.637 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@@H]1COC2(CCC2)C1 ZINC000905450671 712041059 /nfs/dbraw/zinc/04/10/59/712041059.db2.gz IETJWYGEYOGFSV-STQMWFEESA-N 1 0 322.361 1.636 20 5 DDBDRO C[N@H+](Cc1ccccc1)C1(CNCC[N+](=O)[O-])CCOCC1 ZINC000905575021 712083413 /nfs/dbraw/zinc/08/34/13/712083413.db2.gz GIDVVWYYPKTGCD-UHFFFAOYSA-N 1 0 307.394 1.534 20 5 DDBDRO C[NH+](C)C1(CNC(=O)NCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000913930742 713321519 /nfs/dbraw/zinc/32/15/19/713321519.db2.gz KJVZDOAPFAJHKH-UHFFFAOYSA-N 1 0 321.381 1.400 20 5 DDBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000908052259 712672232 /nfs/dbraw/zinc/67/22/32/712672232.db2.gz CAOPPTACMUFTSA-ZBFHGGJFSA-N 1 0 321.377 1.051 20 5 DDBDRO O=C(CN1C[C@H]2C[NH2+]C[C@@H]2C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000917198549 713486835 /nfs/dbraw/zinc/48/68/35/713486835.db2.gz FMJJGECXINBBRV-NXEZZACHSA-N 1 0 324.768 1.338 20 5 DDBDRO O=C(NCC[NH+]1CCCC1)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000929461204 713615459 /nfs/dbraw/zinc/61/54/59/713615459.db2.gz GHYACIMYXHBMTN-GJZGRUSLSA-N 1 0 303.362 1.910 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)[C@H](CO)[NH2+]CC2(O)CCCCC2)cc1 ZINC000920088568 713650442 /nfs/dbraw/zinc/65/04/42/713650442.db2.gz IBFHCLLUSJYKEU-GJZGRUSLSA-N 1 0 324.377 1.274 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000929914256 713717567 /nfs/dbraw/zinc/71/75/67/713717567.db2.gz YBLKELBJYFZVDX-UHFFFAOYSA-N 1 0 321.381 1.187 20 5 DDBDRO C[NH+](C)CCCS(=O)(=O)Oc1c(F)cc(F)cc1[N+](=O)[O-] ZINC000921514170 713794338 /nfs/dbraw/zinc/79/43/38/713794338.db2.gz VXBTWGUGZZCGQS-UHFFFAOYSA-N 1 0 324.305 1.533 20 5 DDBDRO C[N@@H+]1CC[C@H](CNC(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000930361978 713813612 /nfs/dbraw/zinc/81/36/12/713813612.db2.gz AWGXOEAAVUAMEK-DFBGVHRSSA-N 1 0 303.362 1.766 20 5 DDBDRO CC(C)(C)OC(=O)N1CCC[C@@]2(CC[N@H+](CC[N+](=O)[O-])C2)C1 ZINC000930360676 713813661 /nfs/dbraw/zinc/81/36/61/713813661.db2.gz NMXZULWMOWPGGL-HNNXBMFYSA-N 1 0 313.398 1.986 20 5 DDBDRO CC1(C)CNC(=O)[C@@H]1[NH2+]CCCOc1ccc([N+](=O)[O-])cc1 ZINC000931651622 714149439 /nfs/dbraw/zinc/14/94/39/714149439.db2.gz IODRHJXYPXHNPT-ZDUSSCGKSA-N 1 0 307.350 1.478 20 5 DDBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CC[C@H](C3OCCO3)C2)cc1 ZINC000932007475 714232928 /nfs/dbraw/zinc/23/29/28/714232928.db2.gz GOUHXGZNELCSAZ-LBPRGKRZSA-N 1 0 308.334 1.668 20 5 DDBDRO COCC[N@H+](C)C[C@H](O)CN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000932177897 714279850 /nfs/dbraw/zinc/27/98/50/714279850.db2.gz GBXMZLOQTJFXNC-IUODEOHRSA-N 1 0 311.382 1.185 20 5 DDBDRO CC1(C)C[NH2+]CCN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000923293001 714299468 /nfs/dbraw/zinc/29/94/68/714299468.db2.gz NVLZQEBCRUKBGT-ZDUSSCGKSA-N 1 0 309.366 1.018 20 5 DDBDRO C[C@@H]1CN(C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@@H](C)C[NH2+]1 ZINC000923362858 714328036 /nfs/dbraw/zinc/32/80/36/714328036.db2.gz YTOFRACNBKUHFQ-AGIUHOORSA-N 1 0 309.366 1.017 20 5 DDBDRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000923371048 714331633 /nfs/dbraw/zinc/33/16/33/714331633.db2.gz URIYHHQVQCWIBF-NFFDBFGFSA-N 1 0 323.393 1.311 20 5 DDBDRO C[C@H]1COC[C@H]1[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000932491715 714344908 /nfs/dbraw/zinc/34/49/08/714344908.db2.gz LUEUGPAFWVRCBT-TVQRCGJNSA-N 1 0 311.313 1.687 20 5 DDBDRO C[NH2+]C[C@H]1CCCCN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000923422913 714351027 /nfs/dbraw/zinc/35/10/27/714351027.db2.gz JLSPQXNSHHQMSA-CABCVRRESA-N 1 0 323.393 1.408 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000933438645 714589257 /nfs/dbraw/zinc/58/92/57/714589257.db2.gz BGSBDSMFPFMONP-CMPLNLGQSA-N 1 0 309.370 1.041 20 5 DDBDRO C[N@@H+]1C[C@@H]2CN(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000933732336 714657629 /nfs/dbraw/zinc/65/76/29/714657629.db2.gz NSRHLZRNQMMFHC-DOMZBBRYSA-N 1 0 320.349 1.887 20 5 DDBDRO C[N@@H+]1C[C@@H]2CN(C[C@H](O)c3ccc([N+](=O)[O-])cc3)C[C@]2(C)C1 ZINC000933737203 714659639 /nfs/dbraw/zinc/65/96/39/714659639.db2.gz LYMSKPTXQGSOJR-KBMXLJTQSA-N 1 0 305.378 1.512 20 5 DDBDRO C[N@@H+]1C[C@@H](O)C[C@@H]1CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000924989605 714717940 /nfs/dbraw/zinc/71/79/40/714717940.db2.gz SSJCOIXUVJNSLS-BDAKNGLRSA-N 1 0 313.741 1.043 20 5 DDBDRO O=[N+]([O-])c1ccc(CN2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)cc1F ZINC000934265788 714780001 /nfs/dbraw/zinc/78/00/01/714780001.db2.gz NPMPFAOUQJSPQG-HOTGVXAUSA-N 1 0 323.368 1.765 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2C[C@@H](Cc3ccccc3)[C@H](O)C2)c1 ZINC000934438048 714822241 /nfs/dbraw/zinc/82/22/41/714822241.db2.gz KEZWIDQPOYBANG-GDBMZVCRSA-N 1 0 316.361 1.327 20 5 DDBDRO C[N@@H+]1CC[C@H]1CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000925408921 714846297 /nfs/dbraw/zinc/84/62/97/714846297.db2.gz MQODXDMWPYNNOP-AWEZNQCLSA-N 1 0 318.377 1.973 20 5 DDBDRO CC1(C)CNC(=O)[C@@H]1[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000926112775 715007600 /nfs/dbraw/zinc/00/76/00/715007600.db2.gz FIFVSXGUNPTOKP-LBPRGKRZSA-N 1 0 311.769 1.905 20 5 DDBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)n1 ZINC001164664956 719386338 /nfs/dbraw/zinc/38/63/38/719386338.db2.gz DCKYTSDPZIORCL-QWRGUYRKSA-N 1 0 312.757 1.471 20 5 DDBDRO O=C(Cc1cccnc1)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001125701819 735344197 /nfs/dbraw/zinc/34/41/97/735344197.db2.gz WTXNGMZVVFEVAG-UHFFFAOYSA-N 1 0 320.374 1.500 20 5 DDBDRO CC(=O)N1CCc2cc(NC(=N)SCC[NH3+])cc([N+](=O)[O-])c21 ZINC001167912630 734869486 /nfs/dbraw/zinc/86/94/86/734869486.db2.gz RAMOIHQJSKXHRR-UHFFFAOYSA-N 1 0 323.378 1.542 20 5 DDBDRO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3cccc([N+](=O)[O-])c3)C[C@H]21)C1CCC1 ZINC001025645214 736807327 /nfs/dbraw/zinc/80/73/27/736807327.db2.gz RHUSOGMYWOCXSI-ZSHCYNCHSA-N 1 0 315.373 1.941 20 5 DDBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C1=CCOCC1 ZINC001126115131 738318863 /nfs/dbraw/zinc/31/88/63/738318863.db2.gz VPTJLMDFVDOAPX-UHFFFAOYSA-N 1 0 305.334 1.147 20 5 DDBDRO CCn1ccnc1C(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001126418448 739992792 /nfs/dbraw/zinc/99/27/92/739992792.db2.gz UFZDRGQCYSGPIA-UHFFFAOYSA-N 1 0 317.349 1.331 20 5 DDBDRO O=C(C[NH+]1CCCC1)N[C@H]1C[C@@H](Nc2ccccc2[N+](=O)[O-])C1 ZINC001059649680 741477647 /nfs/dbraw/zinc/47/76/47/741477647.db2.gz KPFHIOJSQBSXGC-BETUJISGSA-N 1 0 318.377 1.750 20 5 DDBDRO Cc1cnc(N(C)CCN(C)C(=O)CC[NH+](C)C)c([N+](=O)[O-])c1 ZINC001105553668 742112302 /nfs/dbraw/zinc/11/23/02/742112302.db2.gz DESDISLIWAHHSG-UHFFFAOYSA-N 1 0 323.397 1.145 20 5 DDBDRO CN(CCN(C)c1ccc([N+](=O)[O-])cc1)C(=O)CC[NH+](C)C ZINC001105554354 742112990 /nfs/dbraw/zinc/11/29/90/742112990.db2.gz WFWZLOYLAWMSEU-UHFFFAOYSA-N 1 0 308.382 1.441 20 5 DDBDRO CC(C)Oc1cccc(C[NH2+]CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC001126942596 742932636 /nfs/dbraw/zinc/93/26/36/742932636.db2.gz CFIAVMXJBBIYSI-HUUCEWRRSA-N 1 0 321.377 1.345 20 5 DDBDRO COc1c(O)ccc(C[NH2+][C@H]2CCC[C@H]2CCO)c1[N+](=O)[O-] ZINC001181125090 743073905 /nfs/dbraw/zinc/07/39/05/743073905.db2.gz JAZZXTCUXGXRRQ-JQWIXIFHSA-N 1 0 310.350 1.950 20 5 DDBDRO COCC1(CC(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001126979849 743454978 /nfs/dbraw/zinc/45/49/78/743454978.db2.gz SAJWVRSPDVGBJT-UHFFFAOYSA-N 1 0 321.377 1.617 20 5 DDBDRO C[NH+]1CCN(c2ccc(Nc3ccc([N+](=O)[O-])nc3)cn2)CC1 ZINC001203560506 743791204 /nfs/dbraw/zinc/79/12/04/743791204.db2.gz MLJQKNAWGDFQMV-UHFFFAOYSA-N 1 0 314.349 1.880 20 5 DDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([NH2+]CCc2cccs2)CC1 ZINC000996442074 749576595 /nfs/dbraw/zinc/57/65/95/749576595.db2.gz VGJBYKFGYBUOLA-ZIAGYGMSSA-N 1 0 323.418 1.536 20 5 DDBDRO C[NH+](C)CCC(=O)NC1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC001095445166 749904863 /nfs/dbraw/zinc/90/48/63/749904863.db2.gz CFKFSKPXYCVYHI-UHFFFAOYSA-N 1 0 321.381 1.027 20 5 DDBDRO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC[NH+](Cc2cccnc2)CC1 ZINC001005377335 749943543 /nfs/dbraw/zinc/94/35/43/749943543.db2.gz BKXNYPODEHKWNV-HUUCEWRRSA-N 1 0 318.377 1.170 20 5 DDBDRO C[NH+](C)CCC(=O)N[C@H]1C[C@H](CNc2ccc([N+](=O)[O-])cn2)C1 ZINC001114813897 751116189 /nfs/dbraw/zinc/11/61/89/751116189.db2.gz WVQHBGJATWSDSJ-HAQNSBGRSA-N 1 0 321.381 1.248 20 5 DDBDRO C[C@@H](C[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)NC(=O)OC(C)(C)C ZINC001168963197 762157679 /nfs/dbraw/zinc/15/76/79/762157679.db2.gz OQFYANNPBRZBQK-QJPTWQEYSA-N 1 0 301.387 1.935 20 5 DDBDRO COc1ccc(C2([NH2+][C@@H]3CC[C@@H](C[N+](=O)[O-])C3)COC2)cc1 ZINC001168974675 762163881 /nfs/dbraw/zinc/16/38/81/762163881.db2.gz SFTMDLWUYUSCCQ-TZMCWYRMSA-N 1 0 306.362 1.956 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H]2CCN(Cc3cccnc3)C2)C1 ZINC001168994131 762167895 /nfs/dbraw/zinc/16/78/95/762167895.db2.gz PLLKRPKYRKVVMH-KBMXLJTQSA-N 1 0 304.394 1.691 20 5 DDBDRO N[C@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168986905 762179357 /nfs/dbraw/zinc/17/93/57/762179357.db2.gz FZMZSYHIGDIGKU-QAETUUGQSA-N 1 0 318.421 1.233 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@H](N(c2ncccn2)[C@H]2CCC[NH2+]C2)C1 ZINC001169033884 762189889 /nfs/dbraw/zinc/18/98/89/762189889.db2.gz DOIYYWFANOCHEZ-RDBSUJKOSA-N 1 0 305.382 1.480 20 5 DDBDRO O=[N+]([O-])C[C@H]1CC[C@H](N(c2ncccn2)C2CC[NH2+]CC2)C1 ZINC001169035356 762190842 /nfs/dbraw/zinc/19/08/42/762190842.db2.gz KPROHFGCPPYQJZ-JSGCOSHPSA-N 1 0 305.382 1.480 20 5 DDBDRO O=C(NC1CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1)N1CCCC1 ZINC001169042082 762196082 /nfs/dbraw/zinc/19/60/82/762196082.db2.gz CUDDIDYOIABSQZ-DZGCQCFKSA-N 1 0 324.425 1.702 20 5 DDBDRO COC[C@]12CCCO[C@@H]1CC[N@@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169022095 762201093 /nfs/dbraw/zinc/20/10/93/762201093.db2.gz MUZSECJYXQWMOG-KLHDSHLOSA-N 1 0 312.410 1.949 20 5 DDBDRO COc1ccnc(O[C@@H]2CC[N@@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)c1 ZINC001169053571 762208828 /nfs/dbraw/zinc/20/88/28/762208828.db2.gz ITPPFICTYNWZHF-UMVBOHGHSA-N 1 0 321.377 1.989 20 5 DDBDRO O=C(NCC1CC[NH+](Cc2ccsc2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001001400719 754282310 /nfs/dbraw/zinc/28/23/10/754282310.db2.gz VZOGKHXJLUHHTJ-ZIAGYGMSSA-N 1 0 323.418 1.742 20 5 DDBDRO Cc1c[n+]([O-])c(-n2cc(CC[NH3+])c3ncccc32)cc1[N+](=O)[O-] ZINC001169702913 762610855 /nfs/dbraw/zinc/61/08/55/762610855.db2.gz LZNHSJXUWFYYLQ-UHFFFAOYSA-N 1 0 313.317 1.377 20 5 DDBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)c1ncc[nH]1 ZINC001020133241 760606317 /nfs/dbraw/zinc/60/63/17/760606317.db2.gz KQESCNSVSQPGTD-HAQNSBGRSA-N 1 0 315.333 1.369 20 5 DDBDRO Cc1nc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c(C)s1 ZINC001020139032 760612603 /nfs/dbraw/zinc/61/26/03/760612603.db2.gz NOQNJUGZKMDIQQ-PRULPYPASA-N 1 0 324.406 1.162 20 5 DDBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)c1cc[nH]c1 ZINC001020181687 760657282 /nfs/dbraw/zinc/65/72/82/760657282.db2.gz RIVMAZKRYWUCGL-HDJSIYSDSA-N 1 0 314.345 1.974 20 5 DDBDRO COCC1(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001131310852 767984422 /nfs/dbraw/zinc/98/44/22/767984422.db2.gz GAIHFMQBOJQLQI-UHFFFAOYSA-N 1 0 307.350 1.227 20 5 DDBDRO CN(CCCNc1ccc([N+](=O)[O-])cn1)C(=O)CC[NH+](C)C ZINC001109616923 763881540 /nfs/dbraw/zinc/88/15/40/763881540.db2.gz UTYFYFIATHQMMR-UHFFFAOYSA-N 1 0 309.370 1.202 20 5 DDBDRO COc1ccc(C[C@H](C)[NH2+]CC(=O)NC2CC2)c([N+](=O)[O-])c1 ZINC001170300100 766228423 /nfs/dbraw/zinc/22/84/23/766228423.db2.gz WXZYAUBGZQAICR-JTQLQIEISA-N 1 0 307.350 1.403 20 5 DDBDRO COc1ccc(C[C@@H](C)[NH2+]C[C@@H](C)CNC(C)=O)c([N+](=O)[O-])c1 ZINC001170316924 766247751 /nfs/dbraw/zinc/24/77/51/766247751.db2.gz AAOWNGLAJUWSFS-VXGBXAGGSA-N 1 0 323.393 1.896 20 5 DDBDRO COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2CCCC(=O)N2)c([N+](=O)[O-])c1 ZINC001170327732 766254112 /nfs/dbraw/zinc/25/41/12/766254112.db2.gz HGTJJPFYJNKVEK-YPMHNXCESA-N 1 0 321.377 1.793 20 5 DDBDRO CCOc1cnc(-n2[nH]c(=O)c(CC[NH3+])c2C)c([N+](=O)[O-])c1 ZINC001170339504 766273168 /nfs/dbraw/zinc/27/31/68/766273168.db2.gz BUGYGGOOWDATNJ-UHFFFAOYSA-N 1 0 307.310 1.089 20 5 DDBDRO O=C(NCC[NH2+]Cc1ccccc1[N+](=O)[O-])C1(C2CC2)CC1 ZINC001130020212 767143504 /nfs/dbraw/zinc/14/35/04/767143504.db2.gz VNMLCDAOQPSAPR-UHFFFAOYSA-N 1 0 303.362 1.991 20 5 DDBDRO CN(CC[NH3+])CCNc1cc([N+](=O)[O-])cc(Br)n1 ZINC001170502151 767619425 /nfs/dbraw/zinc/61/94/25/767619425.db2.gz OPGADPAROOSMQP-UHFFFAOYSA-N 1 0 318.175 1.055 20 5 DDBDRO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1cc2cc[nH]c2c([N+](=O)[O-])c1 ZINC001170873723 771805669 /nfs/dbraw/zinc/80/56/69/771805669.db2.gz IUYWLGFMNVASSM-VXGBXAGGSA-N 1 0 318.333 1.639 20 5 DDBDRO O=[N+]([O-])c1cnc(NCc2ccccc2N2CC[NH2+]CC2)nc1 ZINC001171282137 772921398 /nfs/dbraw/zinc/92/13/98/772921398.db2.gz BTFZJBSXHBNNCY-UHFFFAOYSA-N 1 0 314.349 1.407 20 5 DDBDRO CC[N@H+](C)C(C)(C)C(=O)NCCNc1ncc([N+](=O)[O-])cc1C ZINC001093952429 775260291 /nfs/dbraw/zinc/26/02/91/775260291.db2.gz BZYYVOXTEPMMAK-UHFFFAOYSA-N 1 0 323.397 1.557 20 5 DDBDRO C[N@H+](CC(=O)NCCNc1ccc([N+](=O)[O-])cn1)C1CCC1 ZINC001094221697 775543681 /nfs/dbraw/zinc/54/36/81/775543681.db2.gz NBXYGWHKYQTFBX-UHFFFAOYSA-N 1 0 307.354 1.002 20 5 DDBDRO CN(CCNC(=O)C[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1F ZINC001100115395 775699821 /nfs/dbraw/zinc/69/98/21/775699821.db2.gz NRSWAIFGIJZBQH-UHFFFAOYSA-N 1 0 324.356 1.382 20 5 DDBDRO Cc1cc(NCCCNC(=O)C[NH+]2CCCC2)ncc1[N+](=O)[O-] ZINC001094434694 775858155 /nfs/dbraw/zinc/85/81/55/775858155.db2.gz OSBZXWPOZUJTPB-UHFFFAOYSA-N 1 0 321.381 1.312 20 5 DDBDRO O=C(C[NH+]1CCCC1)NCCCNc1ccc([N+](=O)[O-])cc1F ZINC001094434698 775858844 /nfs/dbraw/zinc/85/88/44/775858844.db2.gz OWZFOKAXEQERKA-UHFFFAOYSA-N 1 0 324.356 1.748 20 5 DDBDRO O=C(C[NH+]1CCCC1)NCCCNc1ccccc1[N+](=O)[O-] ZINC001094434643 775858946 /nfs/dbraw/zinc/85/89/46/775858946.db2.gz NXHGUOBNZSMEQC-UHFFFAOYSA-N 1 0 306.366 1.609 20 5 DDBDRO CN1Cc2cc(Nc3nccnc3C[NH3+])cc([N+](=O)[O-])c2N1 ZINC001171449215 776102837 /nfs/dbraw/zinc/10/28/37/776102837.db2.gz QSXDOIPFOYDKGR-UHFFFAOYSA-N 1 0 301.310 1.359 20 5 DDBDRO CCC[N@H+](C)CC(=O)NCCN(CC)c1ccccc1[N+](=O)[O-] ZINC001100576710 776320310 /nfs/dbraw/zinc/32/03/10/776320310.db2.gz PJANZPMGZQJTNS-UHFFFAOYSA-N 1 0 322.409 1.879 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+][C@H]1CCS(=O)(=O)C1)CC2 ZINC001172896308 776928880 /nfs/dbraw/zinc/92/88/80/776928880.db2.gz NWZAOTIEDXVLOB-KBPBESRZSA-N 1 0 324.402 1.619 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CC3(C2)C[NH+](C)C3)c1F ZINC001173191065 777036808 /nfs/dbraw/zinc/03/68/08/777036808.db2.gz ACDLCPOLNHDOOE-LLVKDONJSA-N 1 0 323.368 1.921 20 5 DDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC(=O)NCC(F)(F)F ZINC001173218422 777049777 /nfs/dbraw/zinc/04/97/77/777049777.db2.gz ATGYSQOPVXSLKS-VIFPVBQESA-N 1 0 319.283 1.794 20 5 DDBDRO COC(=O)CO[C@H]1CC[N@@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173232457 777063559 /nfs/dbraw/zinc/06/35/59/777063559.db2.gz BLYAJHCEVDEJJQ-WFASDCNBSA-N 1 0 322.361 1.790 20 5 DDBDRO C[NH+](C)CCC(=O)NCCN(c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001101437073 777139843 /nfs/dbraw/zinc/13/98/43/777139843.db2.gz AYLIEKLIXJKRAY-UHFFFAOYSA-N 1 0 320.393 1.632 20 5 DDBDRO CN(CCNc1ccc(F)cc1[N+](=O)[O-])C(=O)C[NH+]1CCCC1 ZINC001101633497 777329694 /nfs/dbraw/zinc/32/96/94/777329694.db2.gz VJENGTFUIGRMCQ-UHFFFAOYSA-N 1 0 324.356 1.700 20 5 DDBDRO CN(CCNc1ccc([N+](=O)[O-])cc1)C(=O)C1([NH+](C)C)CCC1 ZINC001101811130 777551285 /nfs/dbraw/zinc/55/12/85/777551285.db2.gz MAPZFZLRLQIBON-UHFFFAOYSA-N 1 0 320.393 1.949 20 5 DDBDRO Cc1ccc(C[NH2+]Cc2ccc(C(N)=O)nc2)cc1[N+](=O)[O-] ZINC001178148737 778904320 /nfs/dbraw/zinc/90/43/20/778904320.db2.gz QLBCWVJOTRQKKM-UHFFFAOYSA-N 1 0 300.318 1.687 20 5 DDBDRO Cc1nc(N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)ncc1[N+](=O)[O-] ZINC001120059082 781741484 /nfs/dbraw/zinc/74/14/84/781741484.db2.gz CZZSBHCZNFTIBZ-PWSUYJOCSA-N 1 0 309.395 1.685 20 5 DDBDRO CCN(CC[NH2+]CCc1cccs1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001268450020 840210578 /nfs/dbraw/zinc/21/05/78/840210578.db2.gz MYEXQJVLZUUKPL-CHWSQXEVSA-N 1 0 311.407 1.394 20 5 DDBDRO O=C(NC/C=C\C[NH2+]CCc1ccccc1F)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001268543988 840422642 /nfs/dbraw/zinc/42/26/42/840422642.db2.gz YFWJYDZPARIGDR-SQLJOLKNSA-N 1 0 321.352 1.295 20 5 DDBDRO Cc1nc(Cl)nc(N[C@@H](C)CN2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001154748186 861419128 /nfs/dbraw/zinc/41/91/28/861419128.db2.gz UPVWDQYOWYTHFF-QMMMGPOBSA-N 1 0 314.777 1.052 20 5 DDBDRO O=[N+]([O-])c1cccc2ccc(N[C@@H]3COCCC34C[NH2+]C4)nc21 ZINC001155462303 862114229 /nfs/dbraw/zinc/11/42/29/862114229.db2.gz PPMSYCDHCRRJRR-CYBMUJFWSA-N 1 0 314.345 1.933 20 5 DDBDRO O=[N+]([O-])c1cccc2ccc(N[C@@H]3C[NH2+][C@@H]4COC[C@H]34)nc21 ZINC001155506069 862172588 /nfs/dbraw/zinc/17/25/88/862172588.db2.gz PXDRKVGQZPCYRW-IJLUTSLNSA-N 1 0 300.318 1.542 20 5 DDBDRO CCN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)c1cnon1 ZINC001273668466 851203462 /nfs/dbraw/zinc/20/34/62/851203462.db2.gz RIGTZVPQNUXLKB-UHFFFAOYSA-N 1 0 319.321 1.230 20 5 DDBDRO COc1nc(N[C@H]2CCO[C@]3(CC[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC001155618920 862298656 /nfs/dbraw/zinc/29/86/56/862298656.db2.gz NEDPDDGRXXLSIQ-IINYFYTJSA-N 1 0 308.338 1.321 20 5 DDBDRO Cc1nc(Cl)nc(N(c2ncccn2)C2C[NH2+]C2)c1[N+](=O)[O-] ZINC001155861878 862517736 /nfs/dbraw/zinc/51/77/36/862517736.db2.gz GTJJSLHHWJIOOO-UHFFFAOYSA-N 1 0 321.728 1.247 20 5 DDBDRO C[NH2+][C@H](C)CCNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC001349306673 875104842 /nfs/dbraw/zinc/10/48/42/875104842.db2.gz MPIYONJCKGTJOR-MRVPVSSYSA-N 1 0 321.786 1.525 20 5 DDBDRO COC(=O)C1(Nc2cc(Cl)ncc2[N+](=O)[O-])CC[NH2+]CC1 ZINC001156528865 863122391 /nfs/dbraw/zinc/12/23/91/863122391.db2.gz IWFRSXRRCJLVQW-UHFFFAOYSA-N 1 0 314.729 1.350 20 5 DDBDRO Cc1cc(C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)c(N)c([N+](=O)[O-])c1 ZINC001328506152 863013776 /nfs/dbraw/zinc/01/37/76/863013776.db2.gz QHWLYEALXFROKJ-ZUZCIYMTSA-N 1 0 304.350 1.439 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCn3cncn3)CC2)cc1 ZINC000765395998 881351452 /nfs/dbraw/zinc/35/14/52/881351452.db2.gz KYJNMTVDKKZZCG-UHFFFAOYSA-N 1 0 316.365 1.445 20 5 DDBDRO Cc1ocnc1C(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001124375142 859695361 /nfs/dbraw/zinc/69/53/61/859695361.db2.gz CFZBHFDTUVXHSK-UHFFFAOYSA-N 1 0 304.306 1.411 20 5 DDBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])cc(C)n2)C1 ZINC001142515876 861171114 /nfs/dbraw/zinc/17/11/14/861171114.db2.gz BMRLKZJIFURTIE-LBPRGKRZSA-N 1 0 306.366 1.760 20 5 DDBDRO COC(=O)c1cnc(NCc2ccnc(N)c2)c([N+](=O)[O-])c1 ZINC001156756013 863324057 /nfs/dbraw/zinc/32/40/57/863324057.db2.gz NTVMMXPXSILTLS-UHFFFAOYSA-N 1 0 303.278 1.366 20 5 DDBDRO COc1ncnc(-n2nc(C[NH3+])c3ccccc32)c1[N+](=O)[O-] ZINC001156855759 863400093 /nfs/dbraw/zinc/40/00/93/863400093.db2.gz PQVWJCOQDHVUEC-UHFFFAOYSA-N 1 0 300.278 1.191 20 5 DDBDRO [NH3+]C[C@@H](NC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)C(F)(F)F ZINC001329950155 863967627 /nfs/dbraw/zinc/96/76/27/863967627.db2.gz NTDNHHIRGWHJSW-SNVBAGLBSA-N 1 0 318.255 1.510 20 5 DDBDRO [NH3+]Cc1ccc2ncn(-c3ncc([N+](=O)[O-])cc3[N+](=O)[O-])c2c1 ZINC001158006633 864354266 /nfs/dbraw/zinc/35/42/66/864354266.db2.gz ZXZLNSYZVIZBBU-UHFFFAOYSA-N 1 0 314.261 1.696 20 5 DDBDRO CSc1nc(Cl)nc(-n2c(C)cnc2C[NH3+])c1[N+](=O)[O-] ZINC001158164125 864464997 /nfs/dbraw/zinc/46/49/97/864464997.db2.gz FQFPCZNOIVDXFM-UHFFFAOYSA-N 1 0 314.758 1.713 20 5 DDBDRO O=C(NC[C@@H]1C[NH+]2CCC1CC2)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001158269053 864530002 /nfs/dbraw/zinc/53/00/02/864530002.db2.gz MSBGFLTWPWCHQH-HIFRSBDPSA-N 1 0 319.361 1.086 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NOCC[NH+](C)C)c1 ZINC001330820574 864633238 /nfs/dbraw/zinc/63/32/38/864633238.db2.gz XRVQVNLFOQHCJK-UHFFFAOYSA-N 1 0 311.338 1.282 20 5 DDBDRO [NH3+]CCOCCOCCNc1ccc2ccc([N+](=O)[O-])cc2n1 ZINC001159444833 865297682 /nfs/dbraw/zinc/29/76/82/865297682.db2.gz NVRQQFRDHXIZAG-UHFFFAOYSA-N 1 0 320.349 1.547 20 5 DDBDRO C[C@@H](Nc1ccc2cccc([N+](=O)[O-])c2n1)[C@@H]1C[NH2+]CCO1 ZINC001159498838 865350643 /nfs/dbraw/zinc/35/06/43/865350643.db2.gz RMYXGYNDRNSIAN-MFKMUULPSA-N 1 0 302.334 1.932 20 5 DDBDRO CC(C)Oc1nc(N[C@@H](C)[C@@H]2C[NH2+]CCO2)ccc1[N+](=O)[O-] ZINC001159503182 865365109 /nfs/dbraw/zinc/36/51/09/865365109.db2.gz UOATVXOTJJDRHW-JQWIXIFHSA-N 1 0 310.354 1.566 20 5 DDBDRO COC[C@]1(C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)CC[NH2+]C1 ZINC001331837112 865374905 /nfs/dbraw/zinc/37/49/05/865374905.db2.gz ZIRXUIDZEYBKKN-HNNXBMFYSA-N 1 0 305.334 1.063 20 5 DDBDRO [NH3+]C[C@]1(Nc2nccc(Cl)c2[N+](=O)[O-])CN2CCC1CC2 ZINC001160509106 865890507 /nfs/dbraw/zinc/89/05/07/865890507.db2.gz NMOKDACUEJLDGJ-ZDUSSCGKSA-N 1 0 311.773 1.478 20 5 DDBDRO [NH3+]C[C@@]1(Nc2cc(Cl)ncc2[N+](=O)[O-])CN2CCC1CC2 ZINC001160511545 865895747 /nfs/dbraw/zinc/89/57/47/865895747.db2.gz OOBLVBCHZAUPRX-CYBMUJFWSA-N 1 0 311.773 1.478 20 5 DDBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC001320963605 867157046 /nfs/dbraw/zinc/15/70/46/867157046.db2.gz VJHIBKUKEDXRQO-JTQLQIEISA-N 1 0 308.338 1.157 20 5 DDBDRO COc1cc(N[C@@H](C)CN2CC[NH2+]CC2)cc([N+](=O)[O-])c1C ZINC001162097601 867250453 /nfs/dbraw/zinc/25/04/53/867250453.db2.gz VNMPRIMMGCOGMK-NSHDSACASA-N 1 0 308.382 1.617 20 5 DDBDRO COC(=O)c1ncc([N+](=O)[O-])cc1NC[C@@H]1CCC[NH2+]C[C@@H]1C ZINC001162470795 867558891 /nfs/dbraw/zinc/55/88/91/867558891.db2.gz MMAXTAUMOKZADC-QWRGUYRKSA-N 1 0 322.365 1.824 20 5 DDBDRO COCC(C)(C)C(=O)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001162508248 867600045 /nfs/dbraw/zinc/60/00/45/867600045.db2.gz SEBYRRAYEKVBDH-UHFFFAOYSA-N 1 0 323.393 1.863 20 5 DDBDRO CCOc1cc(N[C@H](C(=O)OC)C(C)(C)[NH3+])ccc1[N+](=O)[O-] ZINC001162957257 867946632 /nfs/dbraw/zinc/94/66/32/867946632.db2.gz ZAICUMDGYMEFIJ-GFCCVEGCSA-N 1 0 311.338 1.684 20 5 DDBDRO O=[N+]([O-])c1cnc2cccc(N[C@@H]3COCCC34C[NH2+]C4)n21 ZINC001163082442 868069729 /nfs/dbraw/zinc/06/97/29/868069729.db2.gz QNIPXWYJHGJTRQ-SNVBAGLBSA-N 1 0 303.322 1.033 20 5 DDBDRO Cc1ccnc(N2CCC(C3=CC=C(N)C[NH2+]3)CC2)c1[N+](=O)[O-] ZINC001163130991 868139359 /nfs/dbraw/zinc/13/93/59/868139359.db2.gz IPVNVHSPDDZNPH-UHFFFAOYSA-N 1 0 315.377 1.844 20 5 DDBDRO COc1cc(C)c([N+](=O)[O-])cc1NC[C@@H]1OC[C@H]2C[NH2+]CC[C@H]21 ZINC001163171819 868185894 /nfs/dbraw/zinc/18/58/94/868185894.db2.gz OUWBJFUKVZWDAN-HSMVNMDESA-N 1 0 321.377 1.948 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1N[C@@]12CC[NH2+][C@@H]1CC(=O)N2 ZINC001163246728 868253713 /nfs/dbraw/zinc/25/37/13/868253713.db2.gz BFCMAQIPUGVVPJ-ABAIWWIYSA-N 1 0 304.350 1.510 20 5 DDBDRO Cc1cc(NC[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)ncc1[N+](=O)[O-] ZINC001163279385 868301424 /nfs/dbraw/zinc/30/14/24/868301424.db2.gz MFVICTRVFHYPKD-SWLSCSKDSA-N 1 0 306.366 1.869 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(N[C@@H]2CCO[C@@]3(CC[NH2+]C3)C2)n1 ZINC001163305812 868331910 /nfs/dbraw/zinc/33/19/10/868331910.db2.gz OUPFAQQLNDCQOX-YGRLFVJLSA-N 1 0 308.338 1.321 20 5 DDBDRO CC1(C)C[NH2+]C[C@@H]1NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC001336048604 868700508 /nfs/dbraw/zinc/70/05/08/868700508.db2.gz LYFQNLXHWGGSSH-ZDUSSCGKSA-N 1 0 306.366 1.435 20 5 DDBDRO O=C(NCc1cccc([N+](=O)[O-])c1)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC001336783164 869138661 /nfs/dbraw/zinc/13/86/61/869138661.db2.gz GGPJTZQTQOWNCV-GDBMZVCRSA-N 1 0 318.377 1.926 20 5 DDBDRO COc1c(O)ccc(CN2CC[C@@H]3C[N@H+](C)C[C@H]32)c1[N+](=O)[O-] ZINC001336813280 869160496 /nfs/dbraw/zinc/16/04/96/869160496.db2.gz PMLCHDQIIZKRHG-ZYHUDNBSSA-N 1 0 307.350 1.445 20 5 DDBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@@H](C[NH3+])CC[C@@H]1C ZINC001164468325 869212939 /nfs/dbraw/zinc/21/29/39/869212939.db2.gz QLZBERUQJQPBDH-WDEREUQCSA-N 1 0 322.365 1.730 20 5 DDBDRO C[C@@H](NC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1ccc([N+](=O)[O-])cc1 ZINC001336979233 869242213 /nfs/dbraw/zinc/24/22/13/869242213.db2.gz ZDUIRHGDLWJNSW-QIRAZROLSA-N 1 0 304.350 1.848 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[C@@H]2C[N@@H+](C)C[C@H]12 ZINC001337837200 869651222 /nfs/dbraw/zinc/65/12/22/869651222.db2.gz YYQGGKGDUZPYOX-DDTOSNHZSA-N 1 0 304.350 1.368 20 5 DDBDRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2N)C1 ZINC001166444188 870001793 /nfs/dbraw/zinc/00/17/93/870001793.db2.gz JRRINFJXYQBHHL-SNVBAGLBSA-N 1 0 306.366 1.780 20 5 DDBDRO COC(=O)C1(Nc2cc([N+](=O)[O-])c(C)cc2OC)CC[NH2+]CC1 ZINC001166954296 870415237 /nfs/dbraw/zinc/41/52/37/870415237.db2.gz HJJAKJSZENVVFR-UHFFFAOYSA-N 1 0 323.349 1.619 20 5 DDBDRO COC(=O)C1(Nc2cc(OC)c(C)c([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC001166954397 870415326 /nfs/dbraw/zinc/41/53/26/870415326.db2.gz LMALHOQWMVCLHR-UHFFFAOYSA-N 1 0 323.349 1.619 20 5 DDBDRO [NH3+][C@@H]1CCN(c2c([N+](=O)[O-])cc[n+]([O-])c2Cl)CC1(F)F ZINC001166958640 870420329 /nfs/dbraw/zinc/42/03/29/870420329.db2.gz GUINDLZRHLWUPE-SSDOTTSWSA-N 1 0 308.672 1.054 20 5 DDBDRO COC(=O)[C@@H]1C[C@@H]([NH3+])CN1c1ccc2ccc3cccnc3c2n1 ZINC001166962968 870427605 /nfs/dbraw/zinc/42/76/05/870427605.db2.gz BIFSBYSCTRKPSH-KGLIPLIRSA-N 1 0 322.368 1.862 20 5 DDBDRO CN(CC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)c1ncc[nH]1 ZINC001317586231 871145900 /nfs/dbraw/zinc/14/59/00/871145900.db2.gz RDBGNCOUUXCYLN-UHFFFAOYSA-N 1 0 309.351 1.241 20 5 DDBDRO C[NH2+]CCOCCNC(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC001340831315 871375947 /nfs/dbraw/zinc/37/59/47/871375947.db2.gz HKMAZAVPFGDOKN-UHFFFAOYSA-N 1 0 313.329 1.019 20 5 DDBDRO C[NH+](C)C1(C)CCN(c2nccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC001307186982 871407277 /nfs/dbraw/zinc/40/72/77/871407277.db2.gz ABCKETBESBGEOZ-UHFFFAOYSA-N 1 0 307.354 1.009 20 5 DDBDRO Cn1[nH]c(=O)c2c1C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)CC2 ZINC001308003184 871461675 /nfs/dbraw/zinc/46/16/75/871461675.db2.gz QBLXKRCTPWAZNO-AWEZNQCLSA-N 1 0 318.333 1.126 20 5 DDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])[C@H]1[NH2+]CC12CCOCC2 ZINC001341405375 871642896 /nfs/dbraw/zinc/64/28/96/871642896.db2.gz VOKISEYVYJBAGY-CQSZACIVSA-N 1 0 319.361 1.022 20 5 DDBDRO COCC[C@@H]1C[NH2+]CCN1C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC001341470581 871671829 /nfs/dbraw/zinc/67/18/29/871671829.db2.gz WQLOZQIGJYAYKV-LLVKDONJSA-N 1 0 311.313 1.184 20 5 DDBDRO C[C@@H](NC(=O)N[C@@H]1Cc2cncn2C1)c1cccc([N+](=O)[O-])c1 ZINC001311608107 871707865 /nfs/dbraw/zinc/70/78/65/871707865.db2.gz ANIIUZNZDJNXDQ-ZYHUDNBSSA-N 1 0 315.333 1.776 20 5 DDBDRO COC[C@H]1C[NH2+]CCN1C(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC001341639172 871750031 /nfs/dbraw/zinc/75/00/31/871750031.db2.gz CTMHWQYWPDZNDN-GFCCVEGCSA-N 1 0 307.350 1.272 20 5 DDBDRO Cc1cc(C(=O)N(C)C2(C[NH3+])CCOCC2)cc([N+](=O)[O-])c1 ZINC001342094867 872001576 /nfs/dbraw/zinc/00/15/76/872001576.db2.gz GVKKNSPENQTWPW-UHFFFAOYSA-N 1 0 307.350 1.483 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCCC[C@@]12CCC[NH2+]C2 ZINC001342142689 872033898 /nfs/dbraw/zinc/03/38/98/872033898.db2.gz XGAWDIYAEOPTHP-AWEZNQCLSA-N 1 0 307.354 1.077 20 5 DDBDRO COc1cc(C(=O)NC[C@@H]2C[NH2+]C[C@H]2C)cc([N+](=O)[O-])c1C ZINC001342508353 872240407 /nfs/dbraw/zinc/24/04/07/872240407.db2.gz BJIDLYMCSCRXJP-SKDRFNHKSA-N 1 0 307.350 1.497 20 5 DDBDRO C[NH2+]CCN(C(=O)CCNc1ccccc1[N+](=O)[O-])C(C)C ZINC001342611933 872294868 /nfs/dbraw/zinc/29/48/68/872294868.db2.gz CJTPINGYVOFLIS-UHFFFAOYSA-N 1 0 308.382 1.853 20 5 DDBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCC[C@@]12CC[NH2+]C2 ZINC001343157849 872520528 /nfs/dbraw/zinc/52/05/28/872520528.db2.gz BUEWIVWKAYKJQF-RRGWEWPQSA-N 1 0 301.346 1.963 20 5 DDBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CCC[C@]12CC[NH2+]C2 ZINC001343157837 872520568 /nfs/dbraw/zinc/52/05/68/872520568.db2.gz BUEWIVWKAYKJQF-HQQUCIOCSA-N 1 0 301.346 1.963 20 5 DDBDRO C[C@@H](NC(=O)NCC[C@H]1CC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC001346465024 873764077 /nfs/dbraw/zinc/76/40/77/873764077.db2.gz ZZGSJGJBCIYDIZ-VXGBXAGGSA-N 1 0 306.366 1.955 20 5 DDBDRO C[N@@H+]1C[C@@H]2CC[C@H](Nc3cc(F)c([N+](=O)[O-])cc3CO)[C@H]2C1 ZINC001348566010 874636438 /nfs/dbraw/zinc/63/64/38/874636438.db2.gz UGPXSQJVIQVLJA-GAFUQQFSSA-N 1 0 309.341 1.978 20 5 DDBDRO Cc1nc(N2CCN(c3cc[nH+]cc3)[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC001353024951 877074117 /nfs/dbraw/zinc/07/41/17/877074117.db2.gz XVCRZOYMRJIGNS-NSHDSACASA-N 1 0 314.349 1.803 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1NC1CC[NH+](Cc2ccccn2)CC1 ZINC001355215525 878464916 /nfs/dbraw/zinc/46/49/16/878464916.db2.gz VQIUUOXJLXKJIY-UHFFFAOYSA-N 1 0 316.365 1.800 20 5 DDBDRO C[C@]1(C[NH3+])CCN(C(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC001357463646 879980242 /nfs/dbraw/zinc/98/02/42/879980242.db2.gz MQGXUDTWGNZHRX-IJEWVQPXSA-N 1 0 303.362 1.896 20 5 DDBDRO COC(=O)c1cccc([N+](=O)[O-])c1CO[C@@H]1C[NH+]2CCC1CC2 ZINC001222773582 880693255 /nfs/dbraw/zinc/69/32/55/880693255.db2.gz LOTRGDSPPDAPLS-OAHLLOKOSA-N 1 0 320.345 1.992 20 5 DDBDRO COC(=O)c1ccc([C@@H](C)OC(=O)C[C@@H](O)C[N+](C)(C)C)cc1 ZINC001223747979 881086184 /nfs/dbraw/zinc/08/61/84/881086184.db2.gz JUZLXOIQCYZZCZ-IUODEOHRSA-N 1 0 324.397 1.535 20 5 DDBDRO COCC[NH+]1CCC(Oc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC001227747017 883155285 /nfs/dbraw/zinc/15/52/85/883155285.db2.gz XMSQJGRRMRGVBR-UHFFFAOYSA-N 1 0 320.349 1.961 20 5 DDBDRO CCOCC(=O)NCCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC001231406526 885621301 /nfs/dbraw/zinc/62/13/01/885621301.db2.gz LJZVYVQPNUUNQI-UHFFFAOYSA-N 1 0 309.366 1.569 20 5 DDBDRO OC[C@H]1CC[N@H+](Cc2ccc3ccc4cccnc4c3n2)C[C@@H]1O ZINC001232219312 886165704 /nfs/dbraw/zinc/16/57/04/886165704.db2.gz SOTSTVUVIYSOPA-WBVHZDCISA-N 1 0 323.396 1.958 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H](N1CCN[C@H]3CC[NH2+]CC[C@@H]31)C2 ZINC001246619413 892743600 /nfs/dbraw/zinc/74/36/00/892743600.db2.gz QYBCIMNRCMDXBO-ULQDDVLXSA-N 1 0 316.405 1.088 20 5 DDBDRO CCC(=O)N1CC[C@H]([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254586974 896519244 /nfs/dbraw/zinc/51/92/44/896519244.db2.gz UOOMJTQHNZWHAA-UONOGXRCSA-N 1 0 303.362 1.663 20 5 DDBDRO Cc1c(CC(=O)N[C@@H]2C[NH+]3CCC2CC3)cccc1[N+](=O)[O-] ZINC001262639064 900282036 /nfs/dbraw/zinc/28/20/36/900282036.db2.gz RHSPKWJSBICKAM-CQSZACIVSA-N 1 0 303.362 1.656 20 5 DDBDRO C[N@@H+]1CCCC[C@H]1CNC(=O)COc1ccccc1[N+](=O)[O-] ZINC001262653564 900286329 /nfs/dbraw/zinc/28/63/29/900286329.db2.gz KOHXNOQTNKMFDQ-LBPRGKRZSA-N 1 0 307.350 1.574 20 5 DDBDRO CC1(C)[NH2+]CC[C@@H]1NC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001263111179 900504037 /nfs/dbraw/zinc/50/40/37/900504037.db2.gz UYQHIVLRTWSRGC-MJBXVCDLSA-N 1 0 303.362 1.955 20 5 DDBDRO CC(C)(C)OC(=O)NCCC[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000278297456 214075072 /nfs/dbraw/zinc/07/50/72/214075072.db2.gz CKCVTJRIQAQGOF-UHFFFAOYSA-N 1 0 313.358 1.296 20 5 DDBDRO CO[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000451631438 231144534 /nfs/dbraw/zinc/14/45/34/231144534.db2.gz LHQUFDACERGVOL-OUCADQQQSA-N 1 0 310.350 1.492 20 5 DDBDRO C[C@@H]1CN(Cc2c(F)cccc2[N+](=O)[O-])C[C@H](C)[N@H+]1CCO ZINC000451650895 231152091 /nfs/dbraw/zinc/15/20/91/231152091.db2.gz FZOCSQOJMNLWDR-TXEJJXNPSA-N 1 0 311.357 1.621 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000278783617 214398991 /nfs/dbraw/zinc/39/89/91/214398991.db2.gz DIJKDUIMRPFARB-MRXNPFEDSA-N 1 0 319.361 1.706 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CC[C@H](CCCO)C2)c1 ZINC000452135388 231315595 /nfs/dbraw/zinc/31/55/95/231315595.db2.gz VWWUZLUEUSBKAP-DZGCQCFKSA-N 1 0 324.377 1.429 20 5 DDBDRO CC[C@@H]([NH3+])CNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000295160252 529567242 /nfs/dbraw/zinc/56/72/42/529567242.db2.gz DSFBQYSRDVPMGB-SSDOTTSWSA-N 1 0 316.155 1.824 20 5 DDBDRO CC[NH+](CC)CCCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000005453050 190621447 /nfs/dbraw/zinc/62/14/47/190621447.db2.gz FPHPSPBMMRAZCY-UHFFFAOYSA-N 1 0 324.337 1.965 20 5 DDBDRO CCc1nn(C)c(NCC2CC[NH+](CCO)CC2)c1[N+](=O)[O-] ZINC000301924734 529767601 /nfs/dbraw/zinc/76/76/01/529767601.db2.gz GIVDWDTZDUDYIZ-UHFFFAOYSA-N 1 0 311.386 1.007 20 5 DDBDRO C[N@@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)CC1CC(O)C1 ZINC000615507317 362312529 /nfs/dbraw/zinc/31/25/29/362312529.db2.gz BOAISLNUCXCJCV-UHFFFAOYSA-N 1 0 308.334 1.569 20 5 DDBDRO C[NH2+]C1CCN(CC(=O)Nc2c(C)cccc2[N+](=O)[O-])CC1 ZINC000430924941 529956088 /nfs/dbraw/zinc/95/60/88/529956088.db2.gz BUMWYDGTMPUICS-UHFFFAOYSA-N 1 0 306.366 1.526 20 5 DDBDRO C[NH2+]C[C@@H]1CCCN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000420295859 529990427 /nfs/dbraw/zinc/99/04/27/529990427.db2.gz WFQHSUDHXPGWIU-AWEZNQCLSA-N 1 0 306.366 1.607 20 5 DDBDRO C[N@@H+]1CCC[C@@H](CCNC(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000458207236 530054828 /nfs/dbraw/zinc/05/48/28/530054828.db2.gz JFNUQVFPJVONCU-JTQLQIEISA-N 1 0 307.354 1.034 20 5 DDBDRO CSCC[C@@H]([NH3+])C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000286856284 219196704 /nfs/dbraw/zinc/19/67/04/219196704.db2.gz XMLWAPIGLSGPKI-SECBINFHSA-N 1 0 309.351 1.490 20 5 DDBDRO C[C@H](O)[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000272621870 210024187 /nfs/dbraw/zinc/02/41/87/210024187.db2.gz UVHHPDIMZDTJPU-NWDGAFQWSA-N 1 0 307.350 1.626 20 5 DDBDRO COc1cc(C(=O)N(C)CC[NH+](C)C)c([N+](=O)[O-])cc1OC ZINC000080394561 192154700 /nfs/dbraw/zinc/15/47/00/192154700.db2.gz CMJIMOJAEPMWNJ-UHFFFAOYSA-N 1 0 311.338 1.246 20 5 DDBDRO [NH3+]CCC1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000564733886 304010762 /nfs/dbraw/zinc/01/07/62/304010762.db2.gz CKFASHPUFBNFIR-UHFFFAOYSA-N 1 0 320.393 1.984 20 5 DDBDRO C[NH+](C)C[C@](C)(O)CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000139631266 186023042 /nfs/dbraw/zinc/02/30/42/186023042.db2.gz LZKHTXHSYXCOFY-CYBMUJFWSA-N 1 0 315.757 1.291 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000564794234 304013567 /nfs/dbraw/zinc/01/35/67/304013567.db2.gz ZQMAIFXKVSTFIB-OAHLLOKOSA-N 1 0 321.381 1.092 20 5 DDBDRO CCOC(=O)CC[C@H](O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000564844727 304018954 /nfs/dbraw/zinc/01/89/54/304018954.db2.gz LXAPTORLNDVNBH-RISCZKNCSA-N 1 0 310.350 1.950 20 5 DDBDRO C[NH+](C)C[C@@H]1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000172077156 198035967 /nfs/dbraw/zinc/03/59/67/198035967.db2.gz VGYCFOOLXLPGNU-NSHDSACASA-N 1 0 313.379 1.167 20 5 DDBDRO C[C@H](CNC(=O)CCNc1ccccc1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000057713381 352825812 /nfs/dbraw/zinc/82/58/12/352825812.db2.gz UXFKKSOWYPLXEK-GFCCVEGCSA-N 1 0 320.393 1.996 20 5 DDBDRO O=C(Cc1ccccc1[N+](=O)[O-])N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000060567490 352876354 /nfs/dbraw/zinc/87/63/54/352876354.db2.gz HYJWIIMMGVFQRA-ZFWWWQNUSA-N 1 0 303.362 1.880 20 5 DDBDRO COCC[NH+]1CCC(NC(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000173259075 198203015 /nfs/dbraw/zinc/20/30/15/198203015.db2.gz GPPBFSGRQGNWOE-UHFFFAOYSA-N 1 0 321.377 1.364 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C)[NH+]2CCCC2)c1 ZINC000063732393 352921935 /nfs/dbraw/zinc/92/19/35/352921935.db2.gz LYFIIYGDAITWQN-NSHDSACASA-N 1 0 307.350 1.818 20 5 DDBDRO CCOC[C@H]1CCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000072977169 191261866 /nfs/dbraw/zinc/26/18/66/191261866.db2.gz VBUIJGMBZHQSDZ-LBPRGKRZSA-N 1 0 321.377 1.942 20 5 DDBDRO CC[NH+]1CCC(NC(=O)c2cc(OC)ccc2[N+](=O)[O-])CC1 ZINC000067785616 353067042 /nfs/dbraw/zinc/06/70/42/353067042.db2.gz HBSODCKGIVWJCZ-UHFFFAOYSA-N 1 0 307.350 1.818 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCC(C(F)(F)F)CC2)c1 ZINC000174190726 198303594 /nfs/dbraw/zinc/30/35/94/198303594.db2.gz ZENARTSZJNURAG-NSHDSACASA-N 1 0 322.287 1.427 20 5 DDBDRO CC[N@H+](CCc1ccccc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174736486 198378625 /nfs/dbraw/zinc/37/86/25/198378625.db2.gz NYOJPIKNUKLFGG-MRXNPFEDSA-N 1 0 318.377 1.717 20 5 DDBDRO CCOC(=O)c1ccnc(N[C@H]2CC[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000077934087 353497483 /nfs/dbraw/zinc/49/74/83/353497483.db2.gz VPAONYNDLPJASJ-JTQLQIEISA-N 1 0 320.349 1.815 20 5 DDBDRO Cc1n[nH]c(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1[N+](=O)[O-] ZINC000080717906 353625442 /nfs/dbraw/zinc/62/54/42/353625442.db2.gz MEDQDWQZSLOIQF-FGWVZKOKSA-N 1 0 307.354 1.371 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000108299169 353948959 /nfs/dbraw/zinc/94/89/59/353948959.db2.gz WDWPHJIVBATRHB-LBPRGKRZSA-N 1 0 304.350 1.512 20 5 DDBDRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000108307430 353950295 /nfs/dbraw/zinc/95/02/95/353950295.db2.gz SMJUTGSIRMKRPW-LLVKDONJSA-N 1 0 307.325 1.948 20 5 DDBDRO [NH3+]CCCCC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000112552560 353971807 /nfs/dbraw/zinc/97/18/07/353971807.db2.gz SATIISBBYXOMED-UHFFFAOYSA-N 1 0 306.366 1.372 20 5 DDBDRO CCSCC[C@@H](C)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000160128256 354236692 /nfs/dbraw/zinc/23/66/92/354236692.db2.gz UAKOYUMNECOVND-PWSUYJOCSA-N 1 0 302.400 1.274 20 5 DDBDRO Cc1nn(C[C@H](O)C[N@@H+](C)Cc2ccccc2)c(C)c1[N+](=O)[O-] ZINC000303369521 354462475 /nfs/dbraw/zinc/46/24/75/354462475.db2.gz JTWTWUWOEDDCMG-OAHLLOKOSA-N 1 0 318.377 1.901 20 5 DDBDRO CC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(OC)c2)CC[C@@H]1[NH3+] ZINC000317487934 354511177 /nfs/dbraw/zinc/51/11/77/354511177.db2.gz DNRLRRFAOSZKSI-JQWIXIFHSA-N 1 0 307.350 1.803 20 5 DDBDRO C[NH+](C)C[C@@](C)(O)CNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000318568383 354516706 /nfs/dbraw/zinc/51/67/06/354516706.db2.gz BEAYCDHSVTWROF-AWEZNQCLSA-N 1 0 305.338 1.263 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000320116860 354524837 /nfs/dbraw/zinc/52/48/37/354524837.db2.gz OOMXOIHKIISLFJ-VHSXEESVSA-N 1 0 301.368 1.307 20 5 DDBDRO COc1ccc(Cn2cc([C@@H]3CCC[NH2+]C3)nn2)cc1[N+](=O)[O-] ZINC000404747618 354676325 /nfs/dbraw/zinc/67/63/25/354676325.db2.gz AHPLFZDYQALHCH-GFCCVEGCSA-N 1 0 317.349 1.710 20 5 DDBDRO CN(CC1CC[NH+](C)CC1)c1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000587872881 354886163 /nfs/dbraw/zinc/88/61/63/354886163.db2.gz KEVHLSVZTHUNCM-UHFFFAOYSA-N 1 0 308.382 1.447 20 5 DDBDRO CC(C)[NH+]1CCN([C@H]2CCN(c3ccncc3[N+](=O)[O-])C2)CC1 ZINC000588823292 354939477 /nfs/dbraw/zinc/93/94/77/354939477.db2.gz JOSZDKFLNUWMBH-AWEZNQCLSA-N 1 0 319.409 1.595 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(CN(CC(N)=O)CC(C)C)c1 ZINC000589496012 354996174 /nfs/dbraw/zinc/99/61/74/354996174.db2.gz XZWDPQYHBNKJMZ-UHFFFAOYSA-N 1 0 323.349 1.325 20 5 DDBDRO COc1ccc(C(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000590442360 355096587 /nfs/dbraw/zinc/09/65/87/355096587.db2.gz FNKLKDCVNYVVSW-WCQYABFASA-N 1 0 305.334 1.380 20 5 DDBDRO COC(=O)C1(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1 ZINC000590684627 355147035 /nfs/dbraw/zinc/14/70/35/355147035.db2.gz FNSSLGMQYCHHOF-UHFFFAOYSA-N 1 0 320.349 1.065 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)CCc3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000590776544 355176277 /nfs/dbraw/zinc/17/62/77/355176277.db2.gz WTRAZEUXFVHQJA-HIFRSBDPSA-N 1 0 303.362 1.690 20 5 DDBDRO C[C@H]1CC(=O)NCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000591022089 355234498 /nfs/dbraw/zinc/23/44/98/355234498.db2.gz NFFDLIVVGSMHGY-NSHDSACASA-N 1 0 320.349 1.134 20 5 DDBDRO COC(=O)CCNC(=O)CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000591024237 355235041 /nfs/dbraw/zinc/23/50/41/355235041.db2.gz AEHCGKRWQXTPPZ-LLVKDONJSA-N 1 0 323.349 1.315 20 5 DDBDRO C[N@@H+]1CCC[C@@H](N2CCN(c3ncc([N+](=O)[O-])cc3F)CC2)C1 ZINC000591147175 355255146 /nfs/dbraw/zinc/25/51/46/355255146.db2.gz BRTZVXQXCRBBSK-GFCCVEGCSA-N 1 0 323.372 1.345 20 5 DDBDRO Cc1ccc(NCCCNC(=O)NC/C=C/C[NH3+])c([N+](=O)[O-])c1 ZINC000591352751 355296633 /nfs/dbraw/zinc/29/66/33/355296633.db2.gz DKKYJIKJHIXYTG-NSCUHMNNSA-N 1 0 321.381 1.519 20 5 DDBDRO COc1ccc(NC(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)cc1[N+](=O)[O-] ZINC000591297636 355283241 /nfs/dbraw/zinc/28/32/41/355283241.db2.gz RUQBYLSJDMHMNL-CMPLNLGQSA-N 1 0 320.349 1.819 20 5 DDBDRO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000591758693 355378867 /nfs/dbraw/zinc/37/88/67/355378867.db2.gz JGZRDEXNACNLQO-GUTXKFCHSA-N 1 0 324.377 1.882 20 5 DDBDRO Cc1cnccc1C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000591761407 355379440 /nfs/dbraw/zinc/37/94/40/355379440.db2.gz ICZQAEYUUWQZDL-HNNXBMFYSA-N 1 0 317.345 1.828 20 5 DDBDRO CO[C@H](C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000591767775 355381279 /nfs/dbraw/zinc/38/12/79/355381279.db2.gz JFRAXPSSBMKWIH-IUODEOHRSA-N 1 0 310.350 1.349 20 5 DDBDRO COc1cc(C(=O)NC[C@@H]2CCCC[NH2+]2)cc([N+](=O)[O-])c1C ZINC000591677303 355360445 /nfs/dbraw/zinc/36/04/45/355360445.db2.gz HSWYAQRPKOVMBB-LBPRGKRZSA-N 1 0 307.350 1.784 20 5 DDBDRO COc1cc(C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)cc([N+](=O)[O-])c1C ZINC000592246057 355546624 /nfs/dbraw/zinc/54/66/24/355546624.db2.gz KXTOYEINQBNUEC-DGCLKSJQSA-N 1 0 319.361 1.736 20 5 DDBDRO CNc1ccc(C(=O)N2CCC[C@H](C)[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000592298371 355554055 /nfs/dbraw/zinc/55/40/55/355554055.db2.gz JCWULDWPXYMUAA-IINYFYTJSA-N 1 0 306.366 1.836 20 5 DDBDRO COC(=O)[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C[C@H]1C ZINC000592129661 355507277 /nfs/dbraw/zinc/50/72/77/355507277.db2.gz NFLJWLOYOILDES-ZYHUDNBSSA-N 1 0 308.334 1.844 20 5 DDBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000592475269 355593503 /nfs/dbraw/zinc/59/35/03/355593503.db2.gz GFJCZWOLKMRALP-MLGOLLRUSA-N 1 0 323.393 1.930 20 5 DDBDRO C[C@H]([NH3+])[C@@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CCO1 ZINC000592475891 355593644 /nfs/dbraw/zinc/59/36/44/355593644.db2.gz UUGGSJWZELKKQA-ZANVPECISA-N 1 0 306.322 1.284 20 5 DDBDRO Cc1nn(C)c(C(=O)N[C@H]2CC[NH2+]C3(CCC3)C2)c1[N+](=O)[O-] ZINC000592567986 355631833 /nfs/dbraw/zinc/63/18/33/355631833.db2.gz IEJUJNYKOQGMSZ-JTQLQIEISA-N 1 0 307.354 1.041 20 5 DDBDRO C[NH+]1CCC2(CC1)CN(C(=O)c1ccc([N+](=O)[O-])o1)CCO2 ZINC000592900360 355734766 /nfs/dbraw/zinc/73/47/66/355734766.db2.gz ZWTFKCIBWGPANB-UHFFFAOYSA-N 1 0 309.322 1.125 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H]1CC(=O)N(CC)C1 ZINC000593691100 355968415 /nfs/dbraw/zinc/96/84/15/355968415.db2.gz ZREMJGTXEWJMGI-GFCCVEGCSA-N 1 0 321.377 1.952 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NCCC1(C[NH3+])CC1 ZINC000593704069 355972021 /nfs/dbraw/zinc/97/20/21/355972021.db2.gz WPFOYQVGCATLTJ-UHFFFAOYSA-N 1 0 322.365 1.532 20 5 DDBDRO COc1ccc(CNC(=O)[C@@H]2CC[C@H](C3CC3)[NH2+]2)cc1[N+](=O)[O-] ZINC000593903788 356050658 /nfs/dbraw/zinc/05/06/58/356050658.db2.gz NUKGNLIFXSCHSN-OLZOCXBDSA-N 1 0 319.361 1.750 20 5 DDBDRO COc1ccc(CNC(=O)[C@@H]2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000593903793 356050705 /nfs/dbraw/zinc/05/07/05/356050705.db2.gz NYTINTOMDLDKIT-GFCCVEGCSA-N 1 0 307.350 1.609 20 5 DDBDRO C[C@@H]1CCCN(C(=O)COc2ccc([N+](=O)[O-])cc2)[C@@H]1CC[NH3+] ZINC000593915308 356057749 /nfs/dbraw/zinc/05/77/49/356057749.db2.gz IPQNVLBKHKROTM-IUODEOHRSA-N 1 0 321.377 1.950 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000601329018 358500187 /nfs/dbraw/zinc/50/01/87/358500187.db2.gz DBFLZSZIMZHZRC-TXEJJXNPSA-N 1 0 304.350 1.278 20 5 DDBDRO Cn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)n1 ZINC000594198979 356137902 /nfs/dbraw/zinc/13/79/02/356137902.db2.gz WXAPPBXZEBOZSJ-WDEREUQCSA-N 1 0 307.354 1.075 20 5 DDBDRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000594404001 356199140 /nfs/dbraw/zinc/19/91/40/356199140.db2.gz PMPRZOYTOKYHCV-WAAGHKOSSA-N 1 0 310.329 1.386 20 5 DDBDRO CC(C)c1ccc(CN2CC[N@@H+]3C[C@H](O)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000594613716 356266455 /nfs/dbraw/zinc/26/64/55/356266455.db2.gz RDZUPQVFXXOYOW-LSDHHAIUSA-N 1 0 319.405 1.969 20 5 DDBDRO [NH3+][C@@H](c1cn(Cc2ccc([N+](=O)[O-])cc2)nn1)[C@@H]1CCCO1 ZINC000594651255 356274975 /nfs/dbraw/zinc/27/49/75/356274975.db2.gz HADZSFNSHWFPIN-KBPBESRZSA-N 1 0 303.322 1.413 20 5 DDBDRO O=[N+]([O-])c1ccc(CC[NH2+]C2CCN([C@@H]3CCOC3)CC2)cc1 ZINC000594496082 356237482 /nfs/dbraw/zinc/23/74/82/356237482.db2.gz ZKVNFFACRKIWAR-QGZVFWFLSA-N 1 0 319.405 1.980 20 5 DDBDRO CCOCCOC[C@H](O)C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594498958 356238751 /nfs/dbraw/zinc/23/87/51/356238751.db2.gz DTJZAGIXBZQDJM-DOMZBBRYSA-N 1 0 324.377 1.586 20 5 DDBDRO CO[C@](C)(CO)C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000594509703 356239754 /nfs/dbraw/zinc/23/97/54/356239754.db2.gz LAJKYHNKVKDNQN-ZDUSSCGKSA-N 1 0 320.292 1.683 20 5 DDBDRO [NH3+]C[C@@H](NC(=O)NCCc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000594523971 356242172 /nfs/dbraw/zinc/24/21/72/356242172.db2.gz FZDRZUWSMRNNJA-SNVBAGLBSA-N 1 0 320.271 1.326 20 5 DDBDRO COCCC1C[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000594718872 356295335 /nfs/dbraw/zinc/29/53/35/356295335.db2.gz WYTGIZJVVVQEDT-UHFFFAOYSA-N 1 0 307.350 1.892 20 5 DDBDRO O=[N+]([O-])c1ccc(OCC[NH2+]Cc2cnc3n2CCC3)cc1 ZINC000594924365 356355584 /nfs/dbraw/zinc/35/55/84/356355584.db2.gz MRQWPQHGVZGUDM-UHFFFAOYSA-N 1 0 302.334 1.906 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H]1CC[C@H](C(N)=O)C1 ZINC000595052052 356376670 /nfs/dbraw/zinc/37/66/70/356376670.db2.gz QIMOLWJIROXOQT-OUAUKWLOSA-N 1 0 307.350 1.908 20 5 DDBDRO CN(CC(C)(C)[NH3+])S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000595115489 356384777 /nfs/dbraw/zinc/38/47/77/356384777.db2.gz GHMKGIIWYOJRGK-UHFFFAOYSA-N 1 0 301.368 1.094 20 5 DDBDRO O=C(c1ccc([N+](=O)[O-])cn1)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000595224881 356411643 /nfs/dbraw/zinc/41/16/43/356411643.db2.gz JEIRUCFESFONGK-WFASDCNBSA-N 1 0 318.377 1.984 20 5 DDBDRO C[C@@H]1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C[C@@H]1[NH3+] ZINC000595229403 356412338 /nfs/dbraw/zinc/41/23/38/356412338.db2.gz XJBZKMWIYJMBPI-KCJUWKMLSA-N 1 0 303.322 1.280 20 5 DDBDRO C[C@H](NC(=O)NCC12CC(C1)C[NH2+]2)c1ccccc1[N+](=O)[O-] ZINC000595264023 356425271 /nfs/dbraw/zinc/42/52/71/356425271.db2.gz GZAPIJIMGKMYOX-NLTNOIMHSA-N 1 0 304.350 1.707 20 5 DDBDRO CC1(C)C[C@@H]([NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CO1 ZINC000595285886 356433109 /nfs/dbraw/zinc/43/31/09/356433109.db2.gz BBVBHHIBWOGRRY-CYBMUJFWSA-N 1 0 306.366 1.679 20 5 DDBDRO Cc1noc(CN[C@](C)(CO)c2cccc(O)c2)c1[N+](=O)[O-] ZINC000595496858 356518779 /nfs/dbraw/zinc/51/87/79/356518779.db2.gz JWMZKOQOUVQJOX-CQSZACIVSA-N 1 0 307.306 1.594 20 5 DDBDRO CCCN(C(=O)c1cccc([N+](=O)[O-])c1N)C1CC[NH2+]CC1 ZINC000236841542 202033550 /nfs/dbraw/zinc/03/35/50/202033550.db2.gz MRCGUCGVLUHRCV-UHFFFAOYSA-N 1 0 306.366 1.781 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](CCOCCO)C1CCC1 ZINC000595597520 356569270 /nfs/dbraw/zinc/56/92/70/356569270.db2.gz QRTXOPBDJJUCQX-UHFFFAOYSA-N 1 0 324.377 1.967 20 5 DDBDRO COc1ccc(OCC[NH+]2C[C@H](C)C(O)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000595742407 356631473 /nfs/dbraw/zinc/63/14/73/356631473.db2.gz GARUDNIRZYTCEU-RYUDHWBXSA-N 1 0 324.377 1.931 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H]1C[C@H](O)C12CCC2 ZINC000595785094 356651356 /nfs/dbraw/zinc/65/13/56/356651356.db2.gz XABUPIMNPGTMLF-UGFHNGPFSA-N 1 0 322.361 1.228 20 5 DDBDRO C[C@@]12COC[C@H]1C[N@H+](Cc1cc([N+](=O)[O-])cc3c1OCOC3)C2 ZINC000595760624 356642034 /nfs/dbraw/zinc/64/20/34/356642034.db2.gz UWYPFBDHFMEFMV-CZUORRHYSA-N 1 0 320.345 1.930 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCC(c3ccon3)CC2)c1 ZINC000595828809 356666682 /nfs/dbraw/zinc/66/66/82/356666682.db2.gz MXMFUEKJJDELOS-ZDUSSCGKSA-N 1 0 321.337 1.020 20 5 DDBDRO COc1cc(CCNC(=O)CC2([NH3+])CC2)c([N+](=O)[O-])cc1OC ZINC000595922980 356705525 /nfs/dbraw/zinc/70/55/25/356705525.db2.gz NTXSOCCKINWUMH-UHFFFAOYSA-N 1 0 323.349 1.152 20 5 DDBDRO C[C@]1(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC[NH2+]C1 ZINC000595990654 356738043 /nfs/dbraw/zinc/73/80/43/356738043.db2.gz AVRABSFKAAXYHL-HNNXBMFYSA-N 1 0 315.333 1.262 20 5 DDBDRO COc1ccc(CNC(=O)[C@@H]2[NH2+]CCC2(C)C)cc1[N+](=O)[O-] ZINC000595931614 356710330 /nfs/dbraw/zinc/71/03/30/356710330.db2.gz ICJXDFFLRVKSBH-ZDUSSCGKSA-N 1 0 307.350 1.608 20 5 DDBDRO [NH3+]C1(CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CCCC1 ZINC000595940112 356715044 /nfs/dbraw/zinc/71/50/44/356715044.db2.gz AYPGXTJOEHFUBW-UHFFFAOYSA-N 1 0 321.333 1.367 20 5 DDBDRO C[NH+](C)C1(CNc2ccc([N+](=O)[O-])c(C(N)=O)c2)CCCC1 ZINC000596079424 356765246 /nfs/dbraw/zinc/76/52/46/356765246.db2.gz RCJXRHNSMACKNX-UHFFFAOYSA-N 1 0 306.366 1.980 20 5 DDBDRO CN(c1ccc([N+](=O)[O-])c(C(N)=O)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000596232927 356826273 /nfs/dbraw/zinc/82/62/73/356826273.db2.gz UFCBBOCIQYUSJZ-QYJAPNMZSA-N 1 0 318.377 1.755 20 5 DDBDRO CN(CCC[NH+](C)C)CCNc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000596425143 356875195 /nfs/dbraw/zinc/87/51/95/356875195.db2.gz MJWVSZZXENZHST-UHFFFAOYSA-N 1 0 321.425 1.858 20 5 DDBDRO COC(=O)c1cc(C)nc(N(C)CC2C[NH+](C)C2)c1[N+](=O)[O-] ZINC000596455031 356884493 /nfs/dbraw/zinc/88/44/93/356884493.db2.gz YQKMBSJMYZDNPD-UHFFFAOYSA-N 1 0 308.338 1.083 20 5 DDBDRO CN(CC1C[NH+](C)C1)c1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000596453963 356884575 /nfs/dbraw/zinc/88/45/75/356884575.db2.gz ORFMXYJTWKJZCN-UHFFFAOYSA-N 1 0 303.322 1.241 20 5 DDBDRO O=[N+]([O-])c1cnc(N2CCC([N@@H+]3CCCOCC3)CC2)s1 ZINC000596268652 356839092 /nfs/dbraw/zinc/83/90/92/356839092.db2.gz NPRSULHMEGKWCG-UHFFFAOYSA-N 1 0 312.395 1.742 20 5 DDBDRO C[NH2+]C[C@@H]1CCCN(C(=O)c2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000237201241 202186820 /nfs/dbraw/zinc/18/68/20/202186820.db2.gz RJLQETCNHRLTAC-NSHDSACASA-N 1 0 307.350 1.675 20 5 DDBDRO COc1cc(OCC(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000237226035 202196189 /nfs/dbraw/zinc/19/61/89/202196189.db2.gz JHRVOPLUIPHMGD-QWRGUYRKSA-N 1 0 323.349 1.191 20 5 DDBDRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)C2 ZINC000597709974 357296085 /nfs/dbraw/zinc/29/60/85/357296085.db2.gz FLWCXBHYNRBZHP-HNNXBMFYSA-N 1 0 320.349 1.253 20 5 DDBDRO Cn1c(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000358797728 299259230 /nfs/dbraw/zinc/25/92/30/299259230.db2.gz XGAJJZHMXTVATF-UHFFFAOYSA-N 1 0 308.382 1.972 20 5 DDBDRO COc1cc(C(=O)NCC[C@H](C)[NH+](C)C)cc([N+](=O)[O-])c1C ZINC000597994450 357410871 /nfs/dbraw/zinc/41/08/71/357410871.db2.gz YPWYGYAQQKFHSV-JTQLQIEISA-N 1 0 309.366 1.982 20 5 DDBDRO COC(=O)c1ccnc(NC[C@H](C)[N@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000598592662 357645275 /nfs/dbraw/zinc/64/52/75/357645275.db2.gz LHCKTVBCJOSSDF-VIFPVBQESA-N 1 0 308.338 1.671 20 5 DDBDRO COC(=O)c1ccnc(NCC2(C)CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000598610445 357652448 /nfs/dbraw/zinc/65/24/48/357652448.db2.gz CBRYINRMBOCBLX-UHFFFAOYSA-N 1 0 322.365 1.920 20 5 DDBDRO O=C(CC[C@@H]1CCC[NH2+]C1)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000598664708 357677056 /nfs/dbraw/zinc/67/70/56/357677056.db2.gz HUYBVQQXYNHBLQ-ZDUSSCGKSA-N 1 0 321.377 1.870 20 5 DDBDRO COc1ccc(C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)cc1[N+](=O)[O-] ZINC000598667424 357677597 /nfs/dbraw/zinc/67/75/97/357677597.db2.gz GNJUKGDWYILGSH-XHDPSFHLSA-N 1 0 305.334 1.557 20 5 DDBDRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C1 ZINC000598746059 357714414 /nfs/dbraw/zinc/71/44/14/357714414.db2.gz QKGAXGWTDAUWJX-SECBINFHSA-N 1 0 308.338 1.298 20 5 DDBDRO [NH3+]C[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)CCCO1 ZINC000598913951 357757008 /nfs/dbraw/zinc/75/70/08/357757008.db2.gz RXUNEOGUUUCJHJ-JTQLQIEISA-N 1 0 312.301 1.315 20 5 DDBDRO Cc1cc(N2CCC([NH+]3CCOCC3)CC2)ncc1[N+](=O)[O-] ZINC000599102385 357815627 /nfs/dbraw/zinc/81/56/27/357815627.db2.gz DWWOQRAQCZXOMJ-UHFFFAOYSA-N 1 0 306.366 1.599 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H]2CCCC[N@H+](C)C2)n1 ZINC000599137646 357826723 /nfs/dbraw/zinc/82/67/23/357826723.db2.gz ARVKLQWEIGQFLR-NSHDSACASA-N 1 0 322.365 1.920 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCC[N@@H+]1CC[C@H](O)C1 ZINC000599199800 357847763 /nfs/dbraw/zinc/84/77/63/357847763.db2.gz QRUNJJXQAZALOU-NSHDSACASA-N 1 0 323.349 1.168 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000599601363 357989046 /nfs/dbraw/zinc/98/90/46/357989046.db2.gz PYBBBSCKELFUDX-LLVKDONJSA-N 1 0 308.338 1.322 20 5 DDBDRO Cc1ccc([C@H](C)NC(=O)NC[C@H]2COCC[NH2+]2)cc1[N+](=O)[O-] ZINC000599920064 358080544 /nfs/dbraw/zinc/08/05/44/358080544.db2.gz HAWOOZFZWNTQMA-AAEUAGOBSA-N 1 0 322.365 1.252 20 5 DDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N[C@@H]1CC[NH2+]C12CCC2 ZINC000599921401 358081581 /nfs/dbraw/zinc/08/15/81/358081581.db2.gz ZJTRSUWAYFORJZ-CQSZACIVSA-N 1 0 318.377 1.721 20 5 DDBDRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)Cc3ccc([N+](=O)[O-])cc3Cl)C[C@H]21 ZINC000600000644 358100864 /nfs/dbraw/zinc/10/08/64/358100864.db2.gz XSPRYDLLKBAHGR-JYAVWHMHSA-N 1 0 323.780 1.809 20 5 DDBDRO O=C(NC[C@H]1CC[N@@H+]1C1CCCCC1)c1c[nH]nc1[N+](=O)[O-] ZINC000600228815 358163728 /nfs/dbraw/zinc/16/37/28/358163728.db2.gz GCFURIBEROCQMH-LLVKDONJSA-N 1 0 307.354 1.455 20 5 DDBDRO CC1(C)C[C@@H]([NH2+]C[C@H]2COCCN2)c2cc([N+](=O)[O-])ccc21 ZINC000600710195 358290962 /nfs/dbraw/zinc/29/09/62/358290962.db2.gz MOLYBSQQGQYEOI-XHDPSFHLSA-N 1 0 305.378 1.895 20 5 DDBDRO [NH3+]C[C@@H]1CN(CCn2cc([N+](=O)[O-])cn2)CC[C@H]1C(F)(F)F ZINC000600724831 358297342 /nfs/dbraw/zinc/29/73/42/358297342.db2.gz IITNUTNBIJGGJC-MWLCHTKSSA-N 1 0 321.303 1.250 20 5 DDBDRO Cc1c(NC(=O)CC[NH2+][C@H](CO)C(C)C)cccc1[N+](=O)[O-] ZINC000180616785 199185408 /nfs/dbraw/zinc/18/54/08/199185408.db2.gz YLBNQBXPNNIGIV-CYBMUJFWSA-N 1 0 309.366 1.838 20 5 DDBDRO CO[C@H]1C[C@@H](C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000600759986 358309572 /nfs/dbraw/zinc/30/95/72/358309572.db2.gz JETXZEFBASPCBB-KYOSRNDESA-N 1 0 310.350 1.349 20 5 DDBDRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000601006290 358379025 /nfs/dbraw/zinc/37/90/25/358379025.db2.gz UNHAHNGHXWANRE-SNVBAGLBSA-N 1 0 307.325 1.948 20 5 DDBDRO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000601109662 358405607 /nfs/dbraw/zinc/40/56/07/358405607.db2.gz WGIISJIPOZEVHZ-SSDOTTSWSA-N 1 0 319.287 1.996 20 5 DDBDRO CC[NH+]1CCN([C@H](C)CNc2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000601105310 358403458 /nfs/dbraw/zinc/40/34/58/358403458.db2.gz ZJGFONCONZHBPS-LLVKDONJSA-N 1 0 311.361 1.567 20 5 DDBDRO CC[NH+](CC)CC(=O)N[C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000601773830 358688887 /nfs/dbraw/zinc/68/88/87/358688887.db2.gz BIBNEJHBQXBFPD-HNNXBMFYSA-N 1 0 309.366 1.260 20 5 DDBDRO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1)C2 ZINC000601973123 358759915 /nfs/dbraw/zinc/75/99/15/358759915.db2.gz COWRBNFUFZOMSB-GASCZTMLSA-N 1 0 307.325 1.806 20 5 DDBDRO [NH3+][C@@H]1CCCN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC000602421863 358966852 /nfs/dbraw/zinc/96/68/52/358966852.db2.gz OUJKWTRGKIILMX-CYBMUJFWSA-N 1 0 303.362 1.966 20 5 DDBDRO CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000602446116 358980943 /nfs/dbraw/zinc/98/09/43/358980943.db2.gz UTBTUGBMMOZEPQ-DZGCQCFKSA-N 1 0 307.350 1.021 20 5 DDBDRO O=C(NCC1C[NH2+]C1)c1c(Br)cccc1[N+](=O)[O-] ZINC000602486038 359010177 /nfs/dbraw/zinc/01/01/77/359010177.db2.gz UERBPVOTEDFRCA-UHFFFAOYSA-N 1 0 314.139 1.307 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@H](O)C3CCC3)CC2)cn1 ZINC000602680703 359121440 /nfs/dbraw/zinc/12/14/40/359121440.db2.gz GDHYEVLEVHVCKA-HNNXBMFYSA-N 1 0 320.393 1.709 20 5 DDBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@H]2CCCN2CCCO)cc1 ZINC000602675139 359119207 /nfs/dbraw/zinc/11/92/07/359119207.db2.gz RCZNWEDMPQSZRO-MRXNPFEDSA-N 1 0 307.394 1.574 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CCN1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000602782544 359187143 /nfs/dbraw/zinc/18/71/43/359187143.db2.gz CSJMQSHSYFHWGH-UONOGXRCSA-N 1 0 307.398 1.516 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3CCC[C@H]3O)CC2)cn1 ZINC000602687414 359126264 /nfs/dbraw/zinc/12/62/64/359126264.db2.gz MIQBIDXULCGOEI-ZIAGYGMSSA-N 1 0 306.366 1.462 20 5 DDBDRO C[C@@]12C[NH+](Cc3ccc([N+](=O)[O-])cc3F)C[C@@]1(C)C(=O)NC2=O ZINC000602723868 359150829 /nfs/dbraw/zinc/15/08/29/359150829.db2.gz HQZFBZJCIZSPEC-GJZGRUSLSA-N 1 0 321.308 1.219 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]3C[C@@H](CO)C3)CC2)cn1 ZINC000602726510 359153501 /nfs/dbraw/zinc/15/35/01/359153501.db2.gz XDSDCSPTRRGPPK-BJHJDKERSA-N 1 0 306.366 1.319 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C[C@@H]1CCC(=O)N1)C(C)C ZINC000602845301 359234180 /nfs/dbraw/zinc/23/41/80/359234180.db2.gz HKBGJMGJFCJPDG-LBPRGKRZSA-N 1 0 309.370 1.089 20 5 DDBDRO CCNC(=O)C[C@H]1CCCC[N@@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602824934 359218787 /nfs/dbraw/zinc/21/87/87/359218787.db2.gz FTCUBGLUAXIOBJ-CYBMUJFWSA-N 1 0 323.397 1.480 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CCN1CCO[C@H](CC(F)(F)F)C1 ZINC000602903554 359284290 /nfs/dbraw/zinc/28/42/90/359284290.db2.gz DXELWUHDBCQIIR-SNVBAGLBSA-N 1 0 322.287 1.753 20 5 DDBDRO C[C@@H]1CN(C(=O)CSc2ccc([N+](=O)[O-])cc2)[C@H](C)C[NH2+]1 ZINC000237431816 202263757 /nfs/dbraw/zinc/26/37/57/202263757.db2.gz VQQRLVNQKJUBIY-GHMZBOCLSA-N 1 0 309.391 1.896 20 5 DDBDRO COCC[NH2+]CCc1cn(Cc2ccc([N+](=O)[O-])cc2F)nn1 ZINC000603223815 359495381 /nfs/dbraw/zinc/49/53/81/359495381.db2.gz JNVGJYICBWKGSE-UHFFFAOYSA-N 1 0 323.328 1.152 20 5 DDBDRO O=[N+]([O-])c1cc(F)c(Cn2cc(C[C@@H]3CC[NH2+]C3)nn2)c(F)c1 ZINC000603247031 359513331 /nfs/dbraw/zinc/51/33/31/359513331.db2.gz IDLWWFKATPTJIJ-VIFPVBQESA-N 1 0 323.303 1.665 20 5 DDBDRO O=[N+]([O-])c1cc(F)c(Cn2cc([C@H]3CCC[NH2+]C3)nn2)c(F)c1 ZINC000603247572 359513376 /nfs/dbraw/zinc/51/33/76/359513376.db2.gz MXPVGDSIDFXJBM-VIFPVBQESA-N 1 0 323.303 1.980 20 5 DDBDRO O=[N+]([O-])c1cc(F)c(Cn2cc(C[NH2+]C3CC3)nn2)c(F)c1 ZINC000603248157 359513844 /nfs/dbraw/zinc/51/38/44/359513844.db2.gz QMWBUQQMHRAKJT-UHFFFAOYSA-N 1 0 309.276 1.765 20 5 DDBDRO Cn1cc(CN2CCC[C@@H](C[NH3+])[C@H]2C(F)(F)F)c([N+](=O)[O-])n1 ZINC000603427092 359634538 /nfs/dbraw/zinc/63/45/38/359634538.db2.gz APQALVQGDOLBNU-WPRPVWTQSA-N 1 0 321.303 1.430 20 5 DDBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000187152934 200069312 /nfs/dbraw/zinc/06/93/12/200069312.db2.gz YMTUUGVSDHYAAQ-JTQLQIEISA-N 1 0 308.338 1.109 20 5 DDBDRO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])C1CCS(=O)(=O)CC1 ZINC000187317462 200093839 /nfs/dbraw/zinc/09/38/39/200093839.db2.gz NLZJSDCTCSXPAT-NSHDSACASA-N 1 0 312.391 1.898 20 5 DDBDRO Cc1c(NC(=O)NCC[N@@H+]2CCCOCC2)cccc1[N+](=O)[O-] ZINC000187439797 200112778 /nfs/dbraw/zinc/11/27/78/200112778.db2.gz OONTVTACTNDHRH-UHFFFAOYSA-N 1 0 322.365 1.747 20 5 DDBDRO COCC(=O)NC1CC[NH+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000603882498 359691826 /nfs/dbraw/zinc/69/18/26/359691826.db2.gz SCQAWYLRDUWMGW-GFCCVEGCSA-N 1 0 321.377 1.883 20 5 DDBDRO [NH3+][C@@H]1CC[C@@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000237936643 202397028 /nfs/dbraw/zinc/39/70/28/202397028.db2.gz FRHMGXRAPXFJQF-CHWSQXEVSA-N 1 0 318.377 1.371 20 5 DDBDRO [NH3+]C[C@@H]1CCCN1C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000237939404 202397998 /nfs/dbraw/zinc/39/79/98/202397998.db2.gz ZRTSTGWQJRSEMZ-AWEZNQCLSA-N 1 0 306.366 1.737 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000608899643 360251764 /nfs/dbraw/zinc/25/17/64/360251764.db2.gz BRWUFRZZBLYXHF-UHFFFAOYSA-N 1 0 312.289 1.766 20 5 DDBDRO COCC[N@@H+]1CCC[C@H](NC(=O)c2cccc(C)c2[N+](=O)[O-])C1 ZINC000609269404 360285414 /nfs/dbraw/zinc/28/54/14/360285414.db2.gz PRCIKOCHYQTKBI-ZDUSSCGKSA-N 1 0 321.377 1.744 20 5 DDBDRO CN1CCC([N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])nc3)C2)CC1 ZINC000609802170 360351343 /nfs/dbraw/zinc/35/13/43/360351343.db2.gz BZFHBTDBOUNCKP-ZDUSSCGKSA-N 1 0 305.382 1.570 20 5 DDBDRO C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)C1CC[NH+](C)CC1 ZINC000609583660 360329305 /nfs/dbraw/zinc/32/93/05/360329305.db2.gz UQTJVLGGWQASNV-GFCCVEGCSA-N 1 0 305.378 1.984 20 5 DDBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])cn2C)[C@@H](C)C1 ZINC000610177827 360388236 /nfs/dbraw/zinc/38/82/36/360388236.db2.gz HUXVWSPPVVOONH-AAEUAGOBSA-N 1 0 308.382 1.736 20 5 DDBDRO O=[N+]([O-])c1ccc(-c2nc(CN3C[C@H]4C[NH2+]C[C@H]4C3)co2)cc1 ZINC000611170461 360643868 /nfs/dbraw/zinc/64/38/68/360643868.db2.gz MGOUAHDKYKVXRI-BETUJISGSA-N 1 0 314.345 1.901 20 5 DDBDRO C[C@@H](CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)[NH+](C)C ZINC000359035549 299312957 /nfs/dbraw/zinc/31/29/57/299312957.db2.gz BMGPUIBMQZXIFC-QMMMGPOBSA-N 1 0 317.292 1.876 20 5 DDBDRO CC1(C)[C@H]([NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]2CCO[C@H]21 ZINC000271899467 209308257 /nfs/dbraw/zinc/30/82/57/209308257.db2.gz VHSVESKTYMEWJP-VCTAVGKDSA-N 1 0 319.361 1.936 20 5 DDBDRO CN(CCCC[NH+](C)C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000612792388 361147382 /nfs/dbraw/zinc/14/73/82/361147382.db2.gz POJOQNUVBLSTDW-UHFFFAOYSA-N 1 0 315.395 1.557 20 5 DDBDRO Cc1cc(C)c(S(=O)(=O)N2CC[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000193251207 201013591 /nfs/dbraw/zinc/01/35/91/201013591.db2.gz ZHLMUTCVFMFMCX-LLVKDONJSA-N 1 0 313.379 1.181 20 5 DDBDRO O=C1CNC(=O)N1CC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000193286593 201020230 /nfs/dbraw/zinc/02/02/30/201020230.db2.gz ICRUSAJKUPAQED-CYBMUJFWSA-N 1 0 318.333 1.114 20 5 DDBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000193647633 201093303 /nfs/dbraw/zinc/09/33/03/201093303.db2.gz BTGNDQNXGHFXCE-NSHDSACASA-N 1 0 322.365 1.499 20 5 DDBDRO CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000194632412 201266264 /nfs/dbraw/zinc/26/62/64/201266264.db2.gz WTYVKCHSCUIKMR-LBPRGKRZSA-N 1 0 307.350 1.818 20 5 DDBDRO O=C1CCC[C@H](C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)N1 ZINC000618970429 363822385 /nfs/dbraw/zinc/82/23/85/363822385.db2.gz UYAAEXDWHGFXMU-LLVKDONJSA-N 1 0 321.333 1.124 20 5 DDBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@]1(O)CCOC1 ZINC000090849826 192939354 /nfs/dbraw/zinc/93/93/54/192939354.db2.gz FTGDFPJYKWDXJL-NHYWBVRUSA-N 1 0 323.349 1.053 20 5 DDBDRO Cc1ccc(CN2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000245717506 202540093 /nfs/dbraw/zinc/54/00/93/202540093.db2.gz HGWBWQIDUHATOL-KGLIPLIRSA-N 1 0 307.394 1.790 20 5 DDBDRO [NH3+]CC1(O)CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000566207658 304128958 /nfs/dbraw/zinc/12/89/58/304128958.db2.gz BNGHYHPAXZGBQG-UHFFFAOYSA-N 1 0 313.741 1.174 20 5 DDBDRO O=C(NCC[C@H]1CC[NH2+]C1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000566236838 304131578 /nfs/dbraw/zinc/13/15/78/304131578.db2.gz BQFCEUNPTSRFJO-SECBINFHSA-N 1 0 307.306 1.053 20 5 DDBDRO COc1cc(C(=O)N[C@@H]2CC[NH2+][C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000261893980 203145106 /nfs/dbraw/zinc/14/51/06/203145106.db2.gz OBVWOAAQFSQUNP-NXEZZACHSA-N 1 0 323.349 1.482 20 5 DDBDRO C[NH2+][C@H]1CCN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000262167721 203218007 /nfs/dbraw/zinc/21/80/07/203218007.db2.gz JVQYNYYORJITDY-NSHDSACASA-N 1 0 315.333 1.214 20 5 DDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NC2CC[NH2+]CC2)cc1OC ZINC000262494711 203308338 /nfs/dbraw/zinc/30/83/38/203308338.db2.gz BQXSXZCIZKQIOZ-UHFFFAOYSA-N 1 0 323.349 1.484 20 5 DDBDRO [NH3+]CCCN(Cc1ccccc1)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000262498597 203310172 /nfs/dbraw/zinc/31/01/72/203310172.db2.gz XJGQQHFIMDSLNJ-UHFFFAOYSA-N 1 0 317.349 1.169 20 5 DDBDRO C[C@H](C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)[NH+]1CC(C)C1 ZINC000566443101 304157658 /nfs/dbraw/zinc/15/76/58/304157658.db2.gz YFOBDMJCTOAHHL-GFCCVEGCSA-N 1 0 303.362 1.820 20 5 DDBDRO CCCc1n[nH]c(C(=O)NC[C@@H](C)[NH+](CC)CC)c1[N+](=O)[O-] ZINC000264598016 204019197 /nfs/dbraw/zinc/01/91/97/204019197.db2.gz IFQZLBJRVLWLDK-SNVBAGLBSA-N 1 0 311.386 1.731 20 5 DDBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000264939351 204286502 /nfs/dbraw/zinc/28/65/02/204286502.db2.gz VJMUCCSPRPEXSX-LLVKDONJSA-N 1 0 302.334 1.900 20 5 DDBDRO O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261809445 296173057 /nfs/dbraw/zinc/17/30/57/296173057.db2.gz ZPYSMRAABLTHCN-ZJUUUORDSA-N 1 0 309.753 1.930 20 5 DDBDRO C[NH+](C)CCNC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000566536536 304166103 /nfs/dbraw/zinc/16/61/03/304166103.db2.gz KXRANJQWYXRNGO-UHFFFAOYSA-N 1 0 319.365 1.479 20 5 DDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000351490742 284340306 /nfs/dbraw/zinc/34/03/06/284340306.db2.gz IYVLQRUCTZDQHG-BVIHXZOGSA-N 1 0 318.377 1.591 20 5 DDBDRO CC[NH+](CC)C[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000266205952 205181703 /nfs/dbraw/zinc/18/17/03/205181703.db2.gz LCGIITWXWAQYFY-NSHDSACASA-N 1 0 321.381 1.257 20 5 DDBDRO C[C@H](CCC[NH3+])NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000336840755 249248026 /nfs/dbraw/zinc/24/80/26/249248026.db2.gz QPYNJWNARNPAMU-MRVPVSSYSA-N 1 0 321.786 1.654 20 5 DDBDRO C[NH+]1CCC(CCNC(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000102640954 193907388 /nfs/dbraw/zinc/90/73/88/193907388.db2.gz KDMVGAAVSNWXHI-UHFFFAOYSA-N 1 0 321.377 1.822 20 5 DDBDRO CCCN(CC[NH+](CC)CC)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000274086870 211343396 /nfs/dbraw/zinc/34/33/96/211343396.db2.gz UBQFHBDLJLYHAE-UHFFFAOYSA-N 1 0 311.386 1.522 20 5 DDBDRO Cc1nn(C)c(C(=O)N2CCCC[C@H]2C[NH+](C)C)c1[N+](=O)[O-] ZINC000104413280 194006327 /nfs/dbraw/zinc/00/63/27/194006327.db2.gz CUWWAAHFMHYKMQ-NSHDSACASA-N 1 0 309.370 1.193 20 5 DDBDRO CCc1nn(C)c(N2C[C@H](SC)[C@@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000340753732 251194577 /nfs/dbraw/zinc/19/45/77/251194577.db2.gz MNYDTHMSHUQLOI-QWRGUYRKSA-N 1 0 313.427 1.373 20 5 DDBDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000341064909 251364894 /nfs/dbraw/zinc/36/48/94/251364894.db2.gz HKNBFJXEHZCWPL-TXEJJXNPSA-N 1 0 308.382 1.926 20 5 DDBDRO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000567672221 304232577 /nfs/dbraw/zinc/23/25/77/304232577.db2.gz MWIPUXSNZVMXJX-OAHLLOKOSA-N 1 0 307.325 1.950 20 5 DDBDRO O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000269186361 207307529 /nfs/dbraw/zinc/30/75/29/207307529.db2.gz GDTSJKNBRRXYCC-AMVTZNPPSA-N 1 0 301.346 1.961 20 5 DDBDRO CCCN(CC[NH+](C)C)C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000352380252 285008928 /nfs/dbraw/zinc/00/89/28/285008928.db2.gz ZCNPVMDXSQENAH-UHFFFAOYSA-N 1 0 323.349 1.737 20 5 DDBDRO Cc1c(CN2C(=O)N[C@@]3(CCC[NH2+]C3)C2=O)cccc1[N+](=O)[O-] ZINC000567809509 304244388 /nfs/dbraw/zinc/24/43/88/304244388.db2.gz WPIIXGBSUGUZIP-OAHLLOKOSA-N 1 0 318.333 1.077 20 5 DDBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000119623499 195005358 /nfs/dbraw/zinc/00/53/58/195005358.db2.gz UDMGNNVOXJSSRG-GFCCVEGCSA-N 1 0 320.393 1.885 20 5 DDBDRO CN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H](C[NH3+])C1CC1 ZINC000359871383 299557591 /nfs/dbraw/zinc/55/75/91/299557591.db2.gz GLRPFXRMBHMBPA-ZDUSSCGKSA-N 1 0 317.349 1.814 20 5 DDBDRO C[NH2+][C@H]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430588722 533038530 /nfs/dbraw/zinc/03/85/30/533038530.db2.gz AIPGPLDFMSIWEX-NSHDSACASA-N 1 0 322.365 1.226 20 5 DDBDRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000156254150 197098589 /nfs/dbraw/zinc/09/85/89/197098589.db2.gz HSOCTKKPHPBHFF-NWDGAFQWSA-N 1 0 307.350 1.559 20 5 DDBDRO CC(C)C[C@@H](C[NH3+])NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000155496527 197060016 /nfs/dbraw/zinc/06/00/16/197060016.db2.gz BIIPMZLUKXNGFW-LBPRGKRZSA-N 1 0 309.366 1.853 20 5 DDBDRO CCN1C[C@@H](C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1=O ZINC001120488649 781980123 /nfs/dbraw/zinc/98/01/23/781980123.db2.gz HHMSRKLTCZRDOR-RISCZKNCSA-N 1 0 307.350 1.086 20 5 DDBDRO C[NH2+]CCCNC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000121714592 195333787 /nfs/dbraw/zinc/33/37/87/195333787.db2.gz FAHXUUNINSGZTG-SECBINFHSA-N 1 0 315.757 1.741 20 5 DDBDRO CO[C@@H]1CC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000451539477 533413633 /nfs/dbraw/zinc/41/36/33/533413633.db2.gz FISFUGJRPFNBHY-XNRPHZJLSA-N 1 0 324.377 1.691 20 5 DDBDRO COc1ccc(CNC(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)cc1[N+](=O)[O-] ZINC000417183503 533605066 /nfs/dbraw/zinc/60/50/66/533605066.db2.gz BDGWBJBNMLYREZ-CMPLNLGQSA-N 1 0 322.365 1.482 20 5 DDBDRO C[C@@H]1C[C@@H](NC(=O)COc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000330918567 533604064 /nfs/dbraw/zinc/60/40/64/533604064.db2.gz XMDBFEPJPFLFJU-NEPJUHHUSA-N 1 0 307.350 1.573 20 5 DDBDRO COC(=O)COc1ccc(C[NH2+]C2(CO)CCC2)cc1[N+](=O)[O-] ZINC000353736945 285899036 /nfs/dbraw/zinc/89/90/36/285899036.db2.gz KXHIFLBCVKDXQR-UHFFFAOYSA-N 1 0 324.333 1.151 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@H]2[C@@H]2CCCOC2)c1 ZINC000569453296 304355231 /nfs/dbraw/zinc/35/52/31/304355231.db2.gz UVMIDDYHOWZRER-YUELXQCFSA-N 1 0 324.381 1.043 20 5 DDBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000178735972 407571256 /nfs/dbraw/zinc/57/12/56/407571256.db2.gz NBXKOORMEVVHJU-MNOVXSKESA-N 1 0 309.391 1.944 20 5 DDBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000008097869 406777517 /nfs/dbraw/zinc/77/75/17/406777517.db2.gz HLAFCBWJAVOFEH-UHFFFAOYSA-N 1 0 312.329 1.952 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@H]([NH3+])C(C)C)cc1C ZINC000070447750 406817008 /nfs/dbraw/zinc/81/70/08/406817008.db2.gz PEZHANHFIOOUGF-NSHDSACASA-N 1 0 315.395 1.473 20 5 DDBDRO CCOC(=O)c1cc(C(=O)NCCC[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000072111068 406873572 /nfs/dbraw/zinc/87/35/72/406873572.db2.gz PTUDMXFJMAXPEO-UHFFFAOYSA-N 1 0 323.349 1.453 20 5 DDBDRO Cc1ccc(S(=O)(=O)NCCC[NH2+]C2CC2)cc1[N+](=O)[O-] ZINC000036267342 406978597 /nfs/dbraw/zinc/97/85/97/406978597.db2.gz BXXNTGYKMVHRFR-UHFFFAOYSA-N 1 0 313.379 1.324 20 5 DDBDRO [NH3+]C[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000089107838 407122724 /nfs/dbraw/zinc/12/27/24/407122724.db2.gz BARMNQQPICTCSS-QWRGUYRKSA-N 1 0 313.379 1.391 20 5 DDBDRO C[C@H]1C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1c1ccccc1 ZINC000081573401 407077887 /nfs/dbraw/zinc/07/78/87/407077887.db2.gz GWEXASAPDQAIKV-RCBQFDQVSA-N 1 0 316.361 1.845 20 5 DDBDRO C[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C[C@@H]1CCCO1 ZINC000052101699 407148121 /nfs/dbraw/zinc/14/81/21/407148121.db2.gz KIHBIMCPHWAUKI-ZFWWWQNUSA-N 1 0 310.350 1.445 20 5 DDBDRO CN(CC[NH+]1CCCC1)C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000103117827 407331724 /nfs/dbraw/zinc/33/17/24/407331724.db2.gz QUHHOMFPLKPCIJ-UHFFFAOYSA-N 1 0 307.350 1.528 20 5 DDBDRO C[NH+](C)[C@@H]1CCN(c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C1 ZINC000122341758 407298493 /nfs/dbraw/zinc/29/84/93/407298493.db2.gz ANCFJHPGNSFOHC-SNVBAGLBSA-N 1 0 313.379 1.139 20 5 DDBDRO CC[N@@H+]1CC[C@H](CNC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000107892515 407381331 /nfs/dbraw/zinc/38/13/31/407381331.db2.gz AGVLSJVTKKGBLC-GFCCVEGCSA-N 1 0 307.350 1.432 20 5 DDBDRO O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1CCC([NH+]2CCCC2)CC1 ZINC000108894809 407392457 /nfs/dbraw/zinc/39/24/57/407392457.db2.gz KLAYLIGSQARMTL-UHFFFAOYSA-N 1 0 320.349 1.396 20 5 DDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1[C@@H]2CC[C@H]1CC(O)C2 ZINC000111320758 407407611 /nfs/dbraw/zinc/40/76/11/407407611.db2.gz FRLBOFORXPRZPD-FMVWZJFZSA-N 1 0 319.361 1.910 20 5 DDBDRO COc1ccc(OCC[NH2+][C@@H](C)Cn2cccn2)c([N+](=O)[O-])c1 ZINC000266536343 407547787 /nfs/dbraw/zinc/54/77/87/407547787.db2.gz OGLGDQDHEAJUFD-LBPRGKRZSA-N 1 0 320.349 1.857 20 5 DDBDRO CC(C)[N@H+](C)CCNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000171167442 407614373 /nfs/dbraw/zinc/61/43/73/407614373.db2.gz RHMNXHSEFLHYFC-UHFFFAOYSA-N 1 0 308.382 1.777 20 5 DDBDRO CCCN(C(=O)CCNc1ccccc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000178891541 407642712 /nfs/dbraw/zinc/64/27/12/407642712.db2.gz OBLJOKXGFLGMSB-ZDUSSCGKSA-N 1 0 320.393 1.997 20 5 DDBDRO CC(C)([NH3+])CNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000236600262 407729618 /nfs/dbraw/zinc/72/96/18/407729618.db2.gz NWGVQDSWZQUXRB-UHFFFAOYSA-N 1 0 315.757 1.871 20 5 DDBDRO Cn1cc([N+](=O)[O-])c(C(=O)N2CC[NH+](C3CCCCC3)CC2)n1 ZINC000271443219 407689538 /nfs/dbraw/zinc/68/95/38/407689538.db2.gz UEKGABLQBCUGGA-UHFFFAOYSA-N 1 0 321.381 1.419 20 5 DDBDRO C[C@@H]([NH2+]CCS(=O)(=O)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000230992794 407692539 /nfs/dbraw/zinc/69/25/39/407692539.db2.gz WBEMMKFFEXYQJN-SNVBAGLBSA-N 1 0 301.368 1.137 20 5 DDBDRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1Cc1cccc([N+](=O)[O-])c1 ZINC000261978952 407698216 /nfs/dbraw/zinc/69/82/16/407698216.db2.gz IYUWYVKWUHRLHC-HNNXBMFYSA-N 1 0 320.393 1.414 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000171626206 407723298 /nfs/dbraw/zinc/72/32/98/407723298.db2.gz BEDVKTIRAKAEAY-HUUCEWRRSA-N 1 0 321.377 1.115 20 5 DDBDRO Cn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)n1 ZINC000271390278 407664907 /nfs/dbraw/zinc/66/49/07/407664907.db2.gz LALXJSXNXASNKA-LBPRGKRZSA-N 1 0 321.381 1.132 20 5 DDBDRO C[C@H](CNC(=O)NCc1ccc([N+](=O)[O-])cc1)[N@H+](C)C1CC1 ZINC000171649831 407733813 /nfs/dbraw/zinc/73/38/13/407733813.db2.gz HCIAYNMIZCLYMU-LLVKDONJSA-N 1 0 306.366 1.877 20 5 DDBDRO CCc1n[nH]c(C(=O)NC[C@H](C)C[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000171676666 407737372 /nfs/dbraw/zinc/73/73/72/407737372.db2.gz VQACDEVXLYJKJJ-NSHDSACASA-N 1 0 323.397 1.732 20 5 DDBDRO CC[NH2+]CC1CCN(C(=O)CCn2cc([N+](=O)[O-])nc2C)CC1 ZINC000237005488 407790172 /nfs/dbraw/zinc/79/01/72/407790172.db2.gz MZPQNSQYDZIGGP-UHFFFAOYSA-N 1 0 323.397 1.338 20 5 DDBDRO CO[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2C)[C@@H](C[NH3+])C1 ZINC000262327473 407799905 /nfs/dbraw/zinc/79/99/05/407799905.db2.gz SAFAHVQBDBSDQE-OLZOCXBDSA-N 1 0 307.350 1.482 20 5 DDBDRO C[NH+](C)C[C@@](C)(O)CNc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000132939978 407811367 /nfs/dbraw/zinc/81/13/67/407811367.db2.gz LQYDSOUFNNMDKE-AWEZNQCLSA-N 1 0 321.337 1.369 20 5 DDBDRO COC[C@]1(CNC(=O)c2c(C)cccc2[N+](=O)[O-])CCC[NH2+]1 ZINC000262451184 407839013 /nfs/dbraw/zinc/83/90/13/407839013.db2.gz HVOALXBUVIQHKJ-OAHLLOKOSA-N 1 0 307.350 1.402 20 5 DDBDRO CCOc1ccc(C(=O)N2CCC[C@@H]([NH2+]C)C2)cc1[N+](=O)[O-] ZINC000133537129 407856700 /nfs/dbraw/zinc/85/67/00/407856700.db2.gz YBQMIWVJEVDWRM-GFCCVEGCSA-N 1 0 307.350 1.818 20 5 DDBDRO O=C(CCNc1ccccc1[N+](=O)[O-])NC[C@@H]1CCC[NH2+]C1 ZINC000238054660 407878536 /nfs/dbraw/zinc/87/85/36/407878536.db2.gz BPKQRGKJRQKBCE-GFCCVEGCSA-N 1 0 306.366 1.513 20 5 DDBDRO CN(CC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000272370117 407888473 /nfs/dbraw/zinc/88/84/73/407888473.db2.gz UHBGYRKNGCZYTF-UHFFFAOYSA-N 1 0 317.292 1.830 20 5 DDBDRO C[C@@H](CN1CC[NH+](C)CC1)Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC000153735334 407890922 /nfs/dbraw/zinc/89/09/22/407890922.db2.gz RMEKZIWFAKXZFR-JTQLQIEISA-N 1 0 313.789 1.691 20 5 DDBDRO CC[C@H](O)C[NH+]1CCN(Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000118858156 407957660 /nfs/dbraw/zinc/95/76/60/407957660.db2.gz WOAHWTSSSZZJBG-HNNXBMFYSA-N 1 0 307.394 1.792 20 5 DDBDRO COc1ccc(C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000268242969 407965417 /nfs/dbraw/zinc/96/54/17/407965417.db2.gz VGABIQLVQBMZAW-GXFFZTMASA-N 1 0 319.361 1.816 20 5 DDBDRO Cc1nn(C)c(C(=O)NCC2(C)CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000272543344 407972849 /nfs/dbraw/zinc/97/28/49/407972849.db2.gz PRJAUDNCCBKLDN-UHFFFAOYSA-N 1 0 309.370 1.098 20 5 DDBDRO COc1ccc(C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000272544365 407976248 /nfs/dbraw/zinc/97/62/48/407976248.db2.gz CJDIWVPGXCXKDV-FZMZJTMJSA-N 1 0 319.361 1.770 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000262773945 407925293 /nfs/dbraw/zinc/92/52/93/407925293.db2.gz MVYOTLNMBVMWBO-ZYHUDNBSSA-N 1 0 313.379 1.180 20 5 DDBDRO CN(CC1([NH+](C)C)CCC1)C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000189522364 408042513 /nfs/dbraw/zinc/04/25/13/408042513.db2.gz QTCOYLQXZYMJGJ-UHFFFAOYSA-N 1 0 308.338 1.252 20 5 DDBDRO COC(=O)CC[N@@H+]1CCN(Cc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000182116292 408075676 /nfs/dbraw/zinc/07/56/76/408075676.db2.gz BMDZQYWIMBULOX-ZDUSSCGKSA-N 1 0 321.377 1.664 20 5 DDBDRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2[nH]ncc2[N+](=O)[O-])C1 ZINC000136222824 408088562 /nfs/dbraw/zinc/08/85/62/408088562.db2.gz RPCMQAWIZYEADS-QWRGUYRKSA-N 1 0 309.370 1.416 20 5 DDBDRO COC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000136636335 408116197 /nfs/dbraw/zinc/11/61/97/408116197.db2.gz ZDQKPOXMCPOTRL-GWCFXTLKSA-N 1 0 307.350 1.936 20 5 DDBDRO C[N@H+](CCOCC1CC1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273322230 408152753 /nfs/dbraw/zinc/15/27/53/408152753.db2.gz KJFULLBUGGMGMC-CQSZACIVSA-N 1 0 324.377 1.693 20 5 DDBDRO CC(C)[N@H+](C)CCNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000155619889 408187225 /nfs/dbraw/zinc/18/72/25/408187225.db2.gz PTIGPIYXZLPPAI-UHFFFAOYSA-N 1 0 315.395 1.354 20 5 DDBDRO CCc1n[nH]c(C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000175729227 408188636 /nfs/dbraw/zinc/18/86/36/408188636.db2.gz BYCCSKXKZZMPGR-DTWKUNHWSA-N 1 0 307.354 1.235 20 5 DDBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[N@@H+]2CCC[C@H]2C1 ZINC000246383065 408237311 /nfs/dbraw/zinc/23/73/11/408237311.db2.gz OTVMHRMIFUDWKR-OLZOCXBDSA-N 1 0 318.377 1.702 20 5 DDBDRO [NH3+]C[C@H]1CCC[C@H]1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000269304005 408259616 /nfs/dbraw/zinc/25/96/16/408259616.db2.gz YIYXLAWXFICTRJ-MWLCHTKSSA-N 1 0 321.333 1.223 20 5 DDBDRO CC(C)C[C@@](C)(C[NH3+])NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000155899481 408225277 /nfs/dbraw/zinc/22/52/77/408225277.db2.gz NFSJIWHCYGAWJH-ZDUSSCGKSA-N 1 0 315.395 1.637 20 5 DDBDRO C[C@@H](O)C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)[C@@H](C)CO ZINC000190812974 408323668 /nfs/dbraw/zinc/32/36/68/408323668.db2.gz QCZUFQJSBNLLME-QWHCGFSZSA-N 1 0 312.366 1.427 20 5 DDBDRO CCO[C@H]1C[C@@H](O)C12CC[NH+](CCn1ccc([N+](=O)[O-])n1)CC2 ZINC000176261605 408327402 /nfs/dbraw/zinc/32/74/02/408327402.db2.gz WYFSTDWVBFYQJL-OLZOCXBDSA-N 1 0 324.381 1.043 20 5 DDBDRO CCCC[N@H+](C)CC1CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000263962865 408329081 /nfs/dbraw/zinc/32/90/81/408329081.db2.gz PVCJHHWKZIXTPK-UHFFFAOYSA-N 1 0 322.413 1.915 20 5 DDBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000176307172 408337541 /nfs/dbraw/zinc/33/75/41/408337541.db2.gz RLPIFOJGEXFGQH-OLZOCXBDSA-N 1 0 318.377 1.876 20 5 DDBDRO C[NH+](C)[C@@H]1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000263992822 408337566 /nfs/dbraw/zinc/33/75/66/408337566.db2.gz GYFOSBANXRDVSI-LLVKDONJSA-N 1 0 302.334 1.852 20 5 DDBDRO CN1CCN(C)[C@H](CNc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000269671883 408384051 /nfs/dbraw/zinc/38/40/51/408384051.db2.gz XJVLLUXMGXTCGN-SNVBAGLBSA-N 1 0 300.309 1.531 20 5 DDBDRO CN(C[C@H]1CC[N@H+](C)C1)C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000264166415 408387480 /nfs/dbraw/zinc/38/74/80/408387480.db2.gz JUJWUZXZTMRTCS-LBPRGKRZSA-N 1 0 307.350 1.384 20 5 DDBDRO CCOC(=O)[C@@](C)(O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000274574852 408456516 /nfs/dbraw/zinc/45/65/16/408456516.db2.gz GIXBHDJVRZCXGW-INIZCTEOSA-N 1 0 322.361 1.873 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@H]1CN(C2CC2)CCO1 ZINC000183463286 408419051 /nfs/dbraw/zinc/41/90/51/408419051.db2.gz NDBDURPREKAWMZ-INIZCTEOSA-N 1 0 305.378 1.856 20 5 DDBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)CCn2cc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000247545933 408491654 /nfs/dbraw/zinc/49/16/54/408491654.db2.gz YIPSKNDDUFMRJG-GXTWGEPZSA-N 1 0 323.397 1.370 20 5 DDBDRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1csc([N+](=O)[O-])c1 ZINC000264466504 408502606 /nfs/dbraw/zinc/50/26/06/408502606.db2.gz STLVATGGRQCWNE-JTQLQIEISA-N 1 0 312.395 1.022 20 5 DDBDRO C[C@@H](CN1CC[NH+](C)CC1)Nc1nc2sccn2c1[N+](=O)[O-] ZINC000264393808 408470691 /nfs/dbraw/zinc/47/06/91/408470691.db2.gz KTJQBGOKCDUECQ-JTQLQIEISA-N 1 0 324.410 1.352 20 5 DDBDRO CS[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1[NH+](C)C ZINC000270518189 408560218 /nfs/dbraw/zinc/56/02/18/408560218.db2.gz SHGLMNZYYQTNOH-OLZOCXBDSA-N 1 0 309.391 1.712 20 5 DDBDRO CC1(C)C[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC[C@@H]1O ZINC000275544140 408596159 /nfs/dbraw/zinc/59/61/59/408596159.db2.gz ZLRIYRBXYMLJQS-HIFRSBDPSA-N 1 0 324.377 1.427 20 5 DDBDRO C[C@@H]1CCC[N@@H+]1C1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000161817624 408642438 /nfs/dbraw/zinc/64/24/38/408642438.db2.gz BAAQAKIDVUIQEN-SNVBAGLBSA-N 1 0 307.354 1.407 20 5 DDBDRO C[NH+](C)C1CN(c2ncc([N+](=O)[O-])cc2Br)C1 ZINC000270707497 408646717 /nfs/dbraw/zinc/64/67/17/408646717.db2.gz CFUJOKDXRJYSAS-UHFFFAOYSA-N 1 0 301.144 1.503 20 5 DDBDRO Cc1cc(C)c(S(=O)(=O)NC[C@@H]([NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000193314130 408711610 /nfs/dbraw/zinc/71/16/10/408711610.db2.gz WOQUVBNKFWONAL-LLVKDONJSA-N 1 0 313.379 1.227 20 5 DDBDRO COc1ccc(OCC[NH2+][C@@H](C)[C@H]2CCOC2)c([N+](=O)[O-])c1 ZINC000162659268 408724235 /nfs/dbraw/zinc/72/42/35/408724235.db2.gz PLGQJVZHMPQJNP-RYUDHWBXSA-N 1 0 310.350 1.997 20 5 DDBDRO C[C@@H](C[NH+]1CCCCCC1)NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000185424096 408806748 /nfs/dbraw/zinc/80/67/48/408806748.db2.gz JYIYOUGTBZARBH-ZDUSSCGKSA-N 1 0 323.397 1.562 20 5 DDBDRO O=[N+]([O-])c1cc(Cl)cnc1NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000250817943 408779709 /nfs/dbraw/zinc/77/97/09/408779709.db2.gz WIODLFDGQKXGAM-QWRGUYRKSA-N 1 0 312.757 1.918 20 5 DDBDRO CC(=O)c1ccc(OC[C@@H](O)C[N@@H+](C)C2CC2)c([N+](=O)[O-])c1 ZINC000290797768 408834459 /nfs/dbraw/zinc/83/44/59/408834459.db2.gz PDQXNBHHDRBPMK-ZDUSSCGKSA-N 1 0 308.334 1.631 20 5 DDBDRO CCC[C@@]1([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCOC1 ZINC000285655085 408835517 /nfs/dbraw/zinc/83/55/17/408835517.db2.gz SPTKBNGPWIIHDE-CZUORRHYSA-N 1 0 324.377 1.883 20 5 DDBDRO C[C@@H](NC(=O)c1cc([N+](=O)[O-])n[nH]1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000285746207 408855748 /nfs/dbraw/zinc/85/57/48/408855748.db2.gz HJXCSRZJABAVCB-GHMZBOCLSA-N 1 0 321.381 1.701 20 5 DDBDRO CCC[N@@H+]1CC[C@@H](CNc2nc(C(=O)OC)ccc2[N+](=O)[O-])C1 ZINC000280914794 408858149 /nfs/dbraw/zinc/85/81/49/408858149.db2.gz FGIKPOUAUZGSDP-NSHDSACASA-N 1 0 322.365 1.920 20 5 DDBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N(C)CCCO ZINC000281622747 408898615 /nfs/dbraw/zinc/89/86/15/408898615.db2.gz HRCOTUPBEBKQTN-VIFPVBQESA-N 1 0 315.757 1.889 20 5 DDBDRO CN1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1=O ZINC000191137480 163174654 /nfs/dbraw/zinc/17/46/54/163174654.db2.gz VBKYJCOWELWKSO-UHFFFAOYSA-N 1 0 320.349 1.088 20 5 DDBDRO C[C@H]1C[C@@H](C[NH3+])CN1S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000216000046 163330968 /nfs/dbraw/zinc/33/09/68/163330968.db2.gz ZFXVKFKEXZZXFU-JQWIXIFHSA-N 1 0 313.379 1.094 20 5 DDBDRO C[C@]1(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)CCCC[NH2+]1 ZINC000237757949 163388276 /nfs/dbraw/zinc/38/82/76/163388276.db2.gz MHGMIMYXKRTCIJ-OAHLLOKOSA-N 1 0 306.366 1.655 20 5 DDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000277508386 408954560 /nfs/dbraw/zinc/95/45/60/408954560.db2.gz KRUFBJJJAMRANU-GFCCVEGCSA-N 1 0 318.377 1.924 20 5 DDBDRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000277583567 408970234 /nfs/dbraw/zinc/97/02/34/408970234.db2.gz OQRVEHSICMQCPY-CABZTGNLSA-N 1 0 311.313 1.227 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000282107279 408992103 /nfs/dbraw/zinc/99/21/03/408992103.db2.gz ZYHCCFRVUZGHGH-GFCCVEGCSA-N 1 0 320.393 1.862 20 5 DDBDRO CS(=O)(=O)C[C@@H]1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000292255515 409010569 /nfs/dbraw/zinc/01/05/69/409010569.db2.gz PDSUXYSVPSCTAR-LLVKDONJSA-N 1 0 316.354 1.600 20 5 DDBDRO CCOc1cc(C[NH+]2[C@@H](CO)CC[C@@H]2CO)ccc1[N+](=O)[O-] ZINC000287390723 409029576 /nfs/dbraw/zinc/02/95/76/409029576.db2.gz NKQHOKHAALBMNA-CHWSQXEVSA-N 1 0 310.350 1.311 20 5 DDBDRO CC(=O)c1cc(NC[C@H]2CN(C)CCN2C)ccc1[N+](=O)[O-] ZINC000287520510 409049822 /nfs/dbraw/zinc/04/98/22/409049822.db2.gz VFWMDQAQLAUZGM-ZDUSSCGKSA-N 1 0 306.366 1.455 20 5 DDBDRO CC[C@H](C)[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000283648969 409191134 /nfs/dbraw/zinc/19/11/34/409191134.db2.gz CUROZUDNUWCDAA-VIFPVBQESA-N 1 0 312.345 1.776 20 5 DDBDRO C[C@H]([NH2+]CCCN1CCOC1=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293583762 409142223 /nfs/dbraw/zinc/14/22/23/409142223.db2.gz FANAJGKIWNJMBG-JTQLQIEISA-N 1 0 308.338 1.670 20 5 DDBDRO CC(C)C[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1 ZINC000279250661 409178059 /nfs/dbraw/zinc/17/80/59/409178059.db2.gz RRFCDUIKJZRIFR-UHFFFAOYSA-N 1 0 324.356 1.730 20 5 DDBDRO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261725431 163691622 /nfs/dbraw/zinc/69/16/22/163691622.db2.gz HFFHVAREBUJQSJ-PHIMTYICSA-N 1 0 307.325 1.806 20 5 DDBDRO CC[NH+](CC)[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000279446510 409216936 /nfs/dbraw/zinc/21/69/36/409216936.db2.gz NRHMQZADNJBODE-JTQLQIEISA-N 1 0 324.356 1.872 20 5 DDBDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)c3ccc(N)c([N+](=O)[O-])c3)C2)C1 ZINC000294313458 409277429 /nfs/dbraw/zinc/27/74/29/409277429.db2.gz WMVLZHSAUVWTJY-INIZCTEOSA-N 1 0 318.377 1.735 20 5 DDBDRO COc1cc(C(=O)NCC[N@H+](C)C2CC2)c([N+](=O)[O-])cc1F ZINC000294570842 409294621 /nfs/dbraw/zinc/29/46/21/409294621.db2.gz PCXDYJHIPVCKLQ-UHFFFAOYSA-N 1 0 311.313 1.567 20 5 DDBDRO Cc1cc(OCC(=O)N2CC[N@@H+](C)CC2(C)C)ccc1[N+](=O)[O-] ZINC000280400034 409306926 /nfs/dbraw/zinc/30/69/26/409306926.db2.gz AJGNOOXPWZFPDL-UHFFFAOYSA-N 1 0 321.377 1.835 20 5 DDBDRO C[C@@](C[NH3+])(NC(=O)CCOc1ccccc1[N+](=O)[O-])C1CC1 ZINC000262613281 163857527 /nfs/dbraw/zinc/85/75/27/163857527.db2.gz GCJUMCNWOURAOT-HNNXBMFYSA-N 1 0 307.350 1.607 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CN1CCO[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000284923289 409371255 /nfs/dbraw/zinc/37/12/55/409371255.db2.gz UDBBXQCDVTWMIZ-HOCLYGCPSA-N 1 0 321.377 1.508 20 5 DDBDRO CCC[NH2+][C@@H](C)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000295920159 409376113 /nfs/dbraw/zinc/37/61/13/409376113.db2.gz BOKDAONWXRCINN-ZDUSSCGKSA-N 1 0 320.393 1.632 20 5 DDBDRO C[C@@H]1CN(CCOc2cccc([N+](=O)[O-])c2)C[C@]2(CCOC2)O1 ZINC000280507073 409333176 /nfs/dbraw/zinc/33/31/76/409333176.db2.gz NINIUUHUPPEYNQ-CJNGLKHVSA-N 1 0 322.361 1.853 20 5 DDBDRO Cc1c(CC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000290292304 409349009 /nfs/dbraw/zinc/34/90/09/409349009.db2.gz DILMRYPIDCXLND-ZIAGYGMSSA-N 1 0 303.362 1.514 20 5 DDBDRO CCCC[NH+]1CCC(Nc2nccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000290487639 409418215 /nfs/dbraw/zinc/41/82/15/409418215.db2.gz IWUMABSDTVTAPH-UHFFFAOYSA-N 1 0 321.381 1.765 20 5 DDBDRO CNc1c(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cccc1[N+](=O)[O-] ZINC000321723623 164044440 /nfs/dbraw/zinc/04/44/40/164044440.db2.gz ZXTUUSQAZQLYMG-STQMWFEESA-N 1 0 318.377 1.993 20 5 DDBDRO CN1CC[N@H+](C)C[C@@H]1CNc1ccnc2c1cccc2[N+](=O)[O-] ZINC000322079791 164045714 /nfs/dbraw/zinc/04/57/14/164045714.db2.gz RLLRZYRAVVMPMR-LBPRGKRZSA-N 1 0 315.377 1.801 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357095056 164138419 /nfs/dbraw/zinc/13/84/19/164138419.db2.gz ZVOJRWYLPKIGGQ-STQMWFEESA-N 1 0 318.377 1.383 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000408029606 164203568 /nfs/dbraw/zinc/20/35/68/164203568.db2.gz UWLQOFPMZNTXFY-KBPBESRZSA-N 1 0 304.350 1.655 20 5 DDBDRO COc1ccc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])cn1 ZINC000348891514 409575876 /nfs/dbraw/zinc/57/58/76/409575876.db2.gz GZOJNBWRFQRINV-UHFFFAOYSA-N 1 0 302.334 1.964 20 5 DDBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000331533979 409612032 /nfs/dbraw/zinc/61/20/32/409612032.db2.gz POWVGFFLXBATOO-TVQRCGJNSA-N 1 0 307.325 1.946 20 5 DDBDRO CC[N@@H+]1C[C@H](C)N(CCn2cc([N+](=O)[O-])ccc2=O)C[C@H]1C ZINC000346185036 409851146 /nfs/dbraw/zinc/85/11/46/409851146.db2.gz GNBHNVMYNZQDTE-OLZOCXBDSA-N 1 0 308.382 1.171 20 5 DDBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1cc([N+](=O)[O-])nn1C ZINC000346123377 409799895 /nfs/dbraw/zinc/79/98/95/409799895.db2.gz AULNMSJGZPKEHD-GHMZBOCLSA-N 1 0 307.354 1.027 20 5 DDBDRO C[C@@H](C[NH+](C)C)NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000346130234 409805568 /nfs/dbraw/zinc/80/55/68/409805568.db2.gz GSSKCNDXVOTHSU-NSHDSACASA-N 1 0 317.349 1.460 20 5 DDBDRO COc1cccc(C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)c1[N+](=O)[O-] ZINC000346325888 409917878 /nfs/dbraw/zinc/91/78/78/409917878.db2.gz RRRDAOYGYDFOES-MRXNPFEDSA-N 1 0 319.361 1.771 20 5 DDBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)Nc3ccncc3[N+](=O)[O-])C[C@@H]21 ZINC000332241422 410006954 /nfs/dbraw/zinc/00/69/54/410006954.db2.gz RTRZEAULTXARGA-OUAUKWLOSA-N 1 0 305.338 1.003 20 5 DDBDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)Nc3ccncc3[N+](=O)[O-])C2)C1 ZINC000297855314 410025944 /nfs/dbraw/zinc/02/59/44/410025944.db2.gz TXIKWKJAJGQPOZ-CQSZACIVSA-N 1 0 305.338 1.549 20 5 DDBDRO Cc1ccc(NC(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)cc1[N+](=O)[O-] ZINC000332229689 409997647 /nfs/dbraw/zinc/99/76/47/409997647.db2.gz NZIDABJYORGGTM-RYUDHWBXSA-N 1 0 304.350 1.976 20 5 DDBDRO COc1cc(CN2CC[C@@H]([C@@H](C)[NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000346647653 410056940 /nfs/dbraw/zinc/05/69/40/410056940.db2.gz BAFCOBNHKBBAFT-GHMZBOCLSA-N 1 0 309.366 1.781 20 5 DDBDRO CCC[C@H]1CN(c2c([N+](=O)[O-])ncn2C)CC[N@@H+]1CCOC ZINC000346659760 410064517 /nfs/dbraw/zinc/06/45/17/410064517.db2.gz RILQGZCMTBFTIG-LBPRGKRZSA-N 1 0 311.386 1.265 20 5 DDBDRO O=[N+]([O-])c1cccnc1N1CC[NH+](CCCn2ccnc2)CC1 ZINC000298042776 410089262 /nfs/dbraw/zinc/08/92/62/410089262.db2.gz HMPVUXKOKLROLS-UHFFFAOYSA-N 1 0 316.365 1.399 20 5 DDBDRO O=C(CC[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1)N1CCCCC1 ZINC000332430614 410152308 /nfs/dbraw/zinc/15/23/08/410152308.db2.gz GYKUNIDBQVTMFH-UHFFFAOYSA-N 1 0 318.377 1.751 20 5 DDBDRO C[C@@H](CNC(=O)CCn1cc([N+](=O)[O-])cn1)[N@@H+]1CCCC[C@H]1C ZINC000351700901 410160477 /nfs/dbraw/zinc/16/04/77/410160477.db2.gz TUWAYWZQIUKYRJ-OLZOCXBDSA-N 1 0 323.397 1.561 20 5 DDBDRO Cc1c(NC(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000332718027 410234106 /nfs/dbraw/zinc/23/41/06/410234106.db2.gz WIMMZRDGKKFUIL-RYUDHWBXSA-N 1 0 304.350 1.976 20 5 DDBDRO C[C@@H](CNc1ncc([N+](=O)[O-])cc1C(N)=O)[N@@H+]1CCC[C@H](C)C1 ZINC000298755316 410382806 /nfs/dbraw/zinc/38/28/06/410382806.db2.gz YACISCNPJBTAGD-QWRGUYRKSA-N 1 0 321.381 1.621 20 5 DDBDRO CC1=CC[N@H+](CCNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000355330169 410448457 /nfs/dbraw/zinc/44/84/57/410448457.db2.gz DIGHWYFTKILXIP-UHFFFAOYSA-N 1 0 322.340 1.698 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)Nc1cc(C[NH+](C)C)ccn1 ZINC000347406132 410527457 /nfs/dbraw/zinc/52/74/57/410527457.db2.gz FVQCJGKVWZNQEQ-UHFFFAOYSA-N 1 0 304.310 1.037 20 5 DDBDRO C[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000352185434 410530568 /nfs/dbraw/zinc/53/05/68/410530568.db2.gz CJMXVBAGUNIJFI-CHWSQXEVSA-N 1 0 310.350 1.445 20 5 DDBDRO COC1CC([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000347472255 410569063 /nfs/dbraw/zinc/56/90/63/410569063.db2.gz SCOKKERVUUFVLT-UHFFFAOYSA-N 1 0 314.363 1.136 20 5 DDBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359301724 410590874 /nfs/dbraw/zinc/59/08/74/410590874.db2.gz IBVUAALAKZKPGO-SDDRHHMPSA-N 1 0 304.350 1.073 20 5 DDBDRO C[N@@H+]1CCC[C@@H](N2CCN(c3ccc([N+](=O)[O-])cc3F)CC2)C1 ZINC000301304084 410697317 /nfs/dbraw/zinc/69/73/17/410697317.db2.gz SVEFHFGTTUBOCR-CQSZACIVSA-N 1 0 322.384 1.950 20 5 DDBDRO C[C@@H]1CN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])[C@@H](C)C[N@@H+]1C ZINC000330565223 410781331 /nfs/dbraw/zinc/78/13/31/410781331.db2.gz ACZKFZRTZIDVSU-OLZOCXBDSA-N 1 0 320.393 1.582 20 5 DDBDRO C[C@H](CNC(=O)Cn1ccc([N+](=O)[O-])n1)[N@@H+]1CCCC[C@@H]1C ZINC000340267394 410808794 /nfs/dbraw/zinc/80/87/94/410808794.db2.gz HYFYOIFIFATVMS-NWDGAFQWSA-N 1 0 309.370 1.170 20 5 DDBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCC[C@H]1CO ZINC000343919956 410811332 /nfs/dbraw/zinc/81/13/32/410811332.db2.gz INAKFEYRYIZXMR-LBPRGKRZSA-N 1 0 321.333 1.350 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[N@@H+](C)C[C@@H]1C ZINC000330665858 410861972 /nfs/dbraw/zinc/86/19/72/410861972.db2.gz HJMAGSLFNVTKRL-LBPRGKRZSA-N 1 0 306.366 1.478 20 5 DDBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])nn1C)[N@@H+]1CCCC[C@@H]1C ZINC000356149521 410863021 /nfs/dbraw/zinc/86/30/21/410863021.db2.gz HCCQAEIFKJKYQX-WDEREUQCSA-N 1 0 309.370 1.321 20 5 DDBDRO Cn1ncc2c1nc(NCCc1ccc([N+](=O)[O-])cc1)nc2N ZINC000302858091 410877430 /nfs/dbraw/zinc/87/74/30/410877430.db2.gz STSYGSAZJAIJHT-UHFFFAOYSA-N 1 0 313.321 1.508 20 5 DDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000341172770 410914054 /nfs/dbraw/zinc/91/40/54/410914054.db2.gz CKOAHZRXMCVRHE-CYBMUJFWSA-N 1 0 318.377 1.673 20 5 DDBDRO CCCc1n[nH]c(C(=O)N2CC[N@H+](C)CC[C@H]2C)c1[N+](=O)[O-] ZINC000348517815 410995372 /nfs/dbraw/zinc/99/53/72/410995372.db2.gz YCAPDEDQGWVHGM-SNVBAGLBSA-N 1 0 309.370 1.437 20 5 DDBDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3cccc([N+](=O)[O-])c3N)C2)C1 ZINC000356289275 410946632 /nfs/dbraw/zinc/94/66/32/410946632.db2.gz VWOBSARGDXSIHQ-MRXNPFEDSA-N 1 0 318.377 1.735 20 5 DDBDRO CC1(C)[C@H](O)C[C@@H]1[NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000579975483 422870144 /nfs/dbraw/zinc/87/01/44/422870144.db2.gz UIMBLYCKSOVTDS-MELADBBJSA-N 1 0 319.361 1.449 20 5 DDBDRO CC[NH+]1CCC(N(C)C(=O)c2ccnc(NC)c2[N+](=O)[O-])CC1 ZINC000580447818 422934341 /nfs/dbraw/zinc/93/43/41/422934341.db2.gz SJNKDFUEJPGZDO-UHFFFAOYSA-N 1 0 321.381 1.588 20 5 DDBDRO [NH3+]CCC[C@@H](NC(=O)c1[nH]ncc1[N+](=O)[O-])c1ccccc1 ZINC000580714291 422949543 /nfs/dbraw/zinc/94/95/43/422949543.db2.gz PYQQUOBZHNMXBX-LLVKDONJSA-N 1 0 303.322 1.528 20 5 DDBDRO O=C(NC1CC[NH+](C2CCCC2)CC1)c1[nH]ncc1[N+](=O)[O-] ZINC000132410437 196253441 /nfs/dbraw/zinc/25/34/41/196253441.db2.gz VTOYTNHMRUWBHO-UHFFFAOYSA-N 1 0 307.354 1.455 20 5 DDBDRO C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H](CO)C(C)(C)C ZINC000134378125 196383775 /nfs/dbraw/zinc/38/37/75/196383775.db2.gz CXHAGFPUOXZULD-ZDUSSCGKSA-N 1 0 309.366 1.872 20 5 DDBDRO C[C@H]([NH3+])CCN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000423226032 298960986 /nfs/dbraw/zinc/96/09/86/298960986.db2.gz PEPLURTWIDSFRH-FZMZJTMJSA-N 1 0 303.366 1.745 20 5 DDBDRO C[C@@H](NC(=O)NCC[C@H]1CC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000417138948 225221668 /nfs/dbraw/zinc/22/16/68/225221668.db2.gz OONCPFHHWHGBLL-VXGBXAGGSA-N 1 0 306.366 1.955 20 5 DDBDRO C[C@H](NC(=O)N[C@H]1C[NH2+]CC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000417143168 225222625 /nfs/dbraw/zinc/22/26/25/225222625.db2.gz UNBFPXQGSBSJLK-SUNKGSAMSA-N 1 0 306.366 1.953 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000417190313 225238103 /nfs/dbraw/zinc/23/81/03/225238103.db2.gz YAQSSQBZRNSYTM-MFKMUULPSA-N 1 0 322.365 1.401 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000417193356 225240982 /nfs/dbraw/zinc/24/09/82/225240982.db2.gz LJZLPMLPEPHARI-LLVKDONJSA-N 1 0 322.365 1.402 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)NCCC[NH2+]C2CCCCC2)n1 ZINC000419895504 226393320 /nfs/dbraw/zinc/39/33/20/226393320.db2.gz OYASULVUSOOYCH-UHFFFAOYSA-N 1 0 323.397 1.853 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000156660475 221672883 /nfs/dbraw/zinc/67/28/83/221672883.db2.gz YUBNZKXZQOKQEE-PWSUYJOCSA-N 1 0 309.370 1.076 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]2C[NH2+]CCC[C@H]21 ZINC000373558632 418438967 /nfs/dbraw/zinc/43/89/67/418438967.db2.gz CGQWRLAIYYIMHZ-SWLSCSKDSA-N 1 0 318.377 1.902 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)n1 ZINC000366219552 418445015 /nfs/dbraw/zinc/44/50/15/418445015.db2.gz AVNJTWPKCFRRNP-JSGCOSHPSA-N 1 0 306.366 1.334 20 5 DDBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])nn2C)[C@@H](C)C1 ZINC000360740316 418503986 /nfs/dbraw/zinc/50/39/86/418503986.db2.gz VZUDDLHQLRPBNV-QWRGUYRKSA-N 1 0 309.370 1.131 20 5 DDBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])nn2C)[C@H](C)C1 ZINC000360740314 418504234 /nfs/dbraw/zinc/50/42/34/418504234.db2.gz VZUDDLHQLRPBNV-MNOVXSKESA-N 1 0 309.370 1.131 20 5 DDBDRO O=C(COc1ccccc1[N+](=O)[O-])N[C@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000361099023 418583376 /nfs/dbraw/zinc/58/33/76/418583376.db2.gz VFPCIQOPCBWSTH-STQMWFEESA-N 1 0 319.361 1.478 20 5 DDBDRO O=C(COc1cccc([N+](=O)[O-])c1)N[C@H]1C[C@@H]1C1CC[NH2+]CC1 ZINC000361109352 418585265 /nfs/dbraw/zinc/58/52/65/418585265.db2.gz NBUYXCNFJFKSQS-CABCVRRESA-N 1 0 319.361 1.478 20 5 DDBDRO C[C@@H]1[NH2+]CCC[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000193451653 222155146 /nfs/dbraw/zinc/15/51/46/222155146.db2.gz DQWSKYONVCYBDG-YUMQZZPRSA-N 1 0 305.381 1.075 20 5 DDBDRO [NH3+]C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])s1)C1CCCC1 ZINC000194773347 222183022 /nfs/dbraw/zinc/18/30/22/222183022.db2.gz TVSIHBJJTOKEPJ-SECBINFHSA-N 1 0 319.408 1.452 20 5 DDBDRO Cn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H]([NH+]3CCCCC3)C2)n1 ZINC000367396612 418597116 /nfs/dbraw/zinc/59/71/16/418597116.db2.gz LUZUTSBSCUFTKL-LBPRGKRZSA-N 1 0 321.381 1.419 20 5 DDBDRO CC[N@H+](C[C@@H](C)OC)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000291312700 222305855 /nfs/dbraw/zinc/30/58/55/222305855.db2.gz TWUHCQHEWCQJPF-CHWSQXEVSA-N 1 0 312.366 1.691 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000367463113 418600892 /nfs/dbraw/zinc/60/08/92/418600892.db2.gz FOXNIVWTPCNBBW-RISCZKNCSA-N 1 0 318.377 1.997 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000367839100 418644447 /nfs/dbraw/zinc/64/44/47/418644447.db2.gz KAYRMTWQFWPQFH-WDNDVIMCSA-N 1 0 319.361 1.402 20 5 DDBDRO CCCC[N@H+](C)CCNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000342118675 418627242 /nfs/dbraw/zinc/62/72/42/418627242.db2.gz DYQRJQQNWOVJTH-UHFFFAOYSA-N 1 0 319.365 2.387 20 5 DDBDRO CCOC(=O)c1ccnc(NCCC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000348156365 418639763 /nfs/dbraw/zinc/63/97/63/418639763.db2.gz CKFJECNMGYTPTR-UHFFFAOYSA-N 1 0 322.365 2.064 20 5 DDBDRO C[C@@H](CO)[N@@H+]1CCCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000375513093 418652446 /nfs/dbraw/zinc/65/24/46/418652446.db2.gz UGHVPMAEECOWKG-LBPRGKRZSA-N 1 0 322.365 1.515 20 5 DDBDRO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1C[C@@H]1[N+](=O)[O-] ZINC000375668210 418671089 /nfs/dbraw/zinc/67/10/89/418671089.db2.gz DNOMXMNIDZOPBW-ZNMIVQPWSA-N 1 0 303.362 1.290 20 5 DDBDRO C[C@@H]1OCC[C@H]1[N@H+](CCO)CCOc1cccc([N+](=O)[O-])c1 ZINC000361587116 418687335 /nfs/dbraw/zinc/68/73/35/418687335.db2.gz UWNFTDBMEYHTSN-SWLSCSKDSA-N 1 0 310.350 1.445 20 5 DDBDRO C[N@@H+]1CC[C@@H](CNc2ncc([N+](=O)[O-])cn2)[C@@H]1c1cccnc1 ZINC000376740652 418701127 /nfs/dbraw/zinc/70/11/27/418701127.db2.gz XLQFSGADTRGKRL-JSGCOSHPSA-N 1 0 314.349 1.885 20 5 DDBDRO C[NH+]1CCC(N(Cc2ccco2)C(=O)[C@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000364457670 418777294 /nfs/dbraw/zinc/77/72/94/418777294.db2.gz ORULYDCSLJEWTM-UONOGXRCSA-N 1 0 307.350 1.368 20 5 DDBDRO C[C@@H](CO)[N@@H+]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000372721320 418894988 /nfs/dbraw/zinc/89/49/88/418894988.db2.gz CVHRRJULWGBCJU-ZDUSSCGKSA-N 1 0 321.377 1.052 20 5 DDBDRO CCOc1ccc(C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)cc1[N+](=O)[O-] ZINC000372918047 418913785 /nfs/dbraw/zinc/91/37/85/418913785.db2.gz QTOUNWAHAQIAKE-WCQYABFASA-N 1 0 319.361 1.818 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000423745739 227655303 /nfs/dbraw/zinc/65/53/03/227655303.db2.gz OGAAKWWIVWGWLY-CYBMUJFWSA-N 1 0 321.377 1.628 20 5 DDBDRO C[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCCC[C@H]1O ZINC000426213359 419404416 /nfs/dbraw/zinc/40/44/16/419404416.db2.gz CDVMVPOUUDWCSP-UMVBOHGHSA-N 1 0 324.377 1.570 20 5 DDBDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000417942519 419405381 /nfs/dbraw/zinc/40/53/81/419405381.db2.gz OEMJOMZVJZMTSQ-DGCLKSJQSA-N 1 0 306.366 1.516 20 5 DDBDRO C[C@@H]1CCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000417947134 419409832 /nfs/dbraw/zinc/40/98/32/419409832.db2.gz RZOJKFJCEKILOI-TZMCWYRMSA-N 1 0 320.393 1.764 20 5 DDBDRO C[C@@H]1C[C@@H](CO)C[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000420936974 419370713 /nfs/dbraw/zinc/37/07/13/419370713.db2.gz JFWLARRQKOJEGQ-CHWSQXEVSA-N 1 0 321.377 1.508 20 5 DDBDRO CN(C)CC(C)(C)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000411822291 419425127 /nfs/dbraw/zinc/42/51/27/419425127.db2.gz UXECQXBKCCHHLK-UHFFFAOYSA-N 1 0 308.382 1.853 20 5 DDBDRO COc1ccc(OCC[N@@H+]2CCC[C@@H]2CCO)c([N+](=O)[O-])c1 ZINC000426265343 419428368 /nfs/dbraw/zinc/42/83/68/419428368.db2.gz UMAHFLHOLTWGIN-GFCCVEGCSA-N 1 0 310.350 1.829 20 5 DDBDRO O=C(CC[N@@H+]1CC[C@]12CCOC2)Nc1ccc([N+](=O)[O-])cc1 ZINC000421016430 419451057 /nfs/dbraw/zinc/45/10/57/419451057.db2.gz JDSXRFSFFZGQGX-OAHLLOKOSA-N 1 0 305.334 1.788 20 5 DDBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000417988952 419453759 /nfs/dbraw/zinc/45/37/59/419453759.db2.gz KSLPXOATJDCWPF-PJXYFTJBSA-N 1 0 324.768 1.308 20 5 DDBDRO Cc1c(CNC(=O)N2CCC(C[NH3+])CC2)cccc1[N+](=O)[O-] ZINC000418083617 419519936 /nfs/dbraw/zinc/51/99/36/419519936.db2.gz SNOGBZRINHJLPG-UHFFFAOYSA-N 1 0 306.366 1.784 20 5 DDBDRO Cc1c(CNC(=O)N2C[C@@H](C[NH3+])C[C@H]2C)cccc1[N+](=O)[O-] ZINC000418079221 419516816 /nfs/dbraw/zinc/51/68/16/419516816.db2.gz KMTJLXPTKNTYJZ-ZYHUDNBSSA-N 1 0 306.366 1.782 20 5 DDBDRO COCC[N@H+](C)CCCNC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000421741289 419707801 /nfs/dbraw/zinc/70/78/01/419707801.db2.gz BNMWGTVNSROOMC-UHFFFAOYSA-N 1 0 323.393 1.910 20 5 DDBDRO CC(C)(NC(=O)N[C@@H](C[NH3+])C1CC1)c1ccccc1[N+](=O)[O-] ZINC000418401130 419775248 /nfs/dbraw/zinc/77/52/48/419775248.db2.gz NDEFOSRMBKICRW-LBPRGKRZSA-N 1 0 306.366 1.866 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000421771475 419721867 /nfs/dbraw/zinc/72/18/67/419721867.db2.gz WYWOSGIIOWRLGR-ZDUSSCGKSA-N 1 0 320.393 1.187 20 5 DDBDRO [NH3+]C1(CNC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)CCC1 ZINC000418505843 419843803 /nfs/dbraw/zinc/84/38/03/419843803.db2.gz FHLOVIJWTXTLCB-UHFFFAOYSA-N 1 0 320.349 1.249 20 5 DDBDRO Cc1cc(OCC(=O)N2CC[N@@H+](C)[C@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000432249305 229090092 /nfs/dbraw/zinc/09/00/92/229090092.db2.gz CUTUUKFJVVFKQQ-OLZOCXBDSA-N 1 0 321.377 1.833 20 5 DDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000418785829 419983156 /nfs/dbraw/zinc/98/31/56/419983156.db2.gz IGZNEJVZCNAXFW-DGCLKSJQSA-N 1 0 306.366 1.864 20 5 DDBDRO CC(C)(C)c1ccc(NC(=O)C(=O)NCCC[NH3+])cc1[N+](=O)[O-] ZINC000415294988 420011661 /nfs/dbraw/zinc/01/16/61/420011661.db2.gz REHOBCDQLQMUDD-UHFFFAOYSA-N 1 0 322.365 1.296 20 5 DDBDRO COC[C@@]1(CN[C@H](C)Cc2ccccc2[N+](=O)[O-])CCC[NH2+]1 ZINC000423408908 420042811 /nfs/dbraw/zinc/04/28/11/420042811.db2.gz BBTVIQQMTUVADC-CJNGLKHVSA-N 1 0 307.394 1.884 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000415505446 420094182 /nfs/dbraw/zinc/09/41/82/420094182.db2.gz QGPROAYXQNJRFI-UWVGGRQHSA-N 1 0 308.338 1.804 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NC1CCC([NH3+])CC1 ZINC000415510487 420095235 /nfs/dbraw/zinc/09/52/35/420095235.db2.gz ZCUSQTNRAKUHBI-UHFFFAOYSA-N 1 0 308.338 1.995 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000415584064 420117331 /nfs/dbraw/zinc/11/73/31/420117331.db2.gz SBICABFJYRGDJG-LBPRGKRZSA-N 1 0 322.365 1.712 20 5 DDBDRO COc1cccc(C(=O)NC[C@H]2CCC[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000423692355 420129795 /nfs/dbraw/zinc/12/97/95/420129795.db2.gz GAKDJAPTKQXCRH-QWRGUYRKSA-N 1 0 307.350 1.851 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@](C)(C[NH3+])C1CC1 ZINC000430550793 420134547 /nfs/dbraw/zinc/13/45/47/420134547.db2.gz KXYJWNQQGHXANB-OAHLLOKOSA-N 1 0 306.366 1.559 20 5 DDBDRO COC(=O)c1cc(C)nc(NC[C@@H]2CCC[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000420289428 420184011 /nfs/dbraw/zinc/18/40/11/420184011.db2.gz SUZZBZYDCVZKFG-MNOVXSKESA-N 1 0 322.365 2.014 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC([C@H](C)[NH3+])CC1 ZINC000430931040 420210897 /nfs/dbraw/zinc/21/08/97/420210897.db2.gz CCQOLKCRUALTRQ-LBPRGKRZSA-N 1 0 320.393 1.901 20 5 DDBDRO C[C@@](C[NH3+])(NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CC1 ZINC000430591061 420148230 /nfs/dbraw/zinc/14/82/30/420148230.db2.gz MTMJQBIDXWMJBF-HNNXBMFYSA-N 1 0 317.349 1.862 20 5 DDBDRO Cc1nc(N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000420238835 420164363 /nfs/dbraw/zinc/16/43/63/420164363.db2.gz HZWULXLPFJWXGY-KGLIPLIRSA-N 1 0 313.361 1.872 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000420343722 420221854 /nfs/dbraw/zinc/22/18/54/420221854.db2.gz RAVAFRXHHNYQIN-GXTWGEPZSA-N 1 0 318.377 1.526 20 5 DDBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000430953687 420222335 /nfs/dbraw/zinc/22/23/35/420222335.db2.gz HVUHSKYHYPFFAG-IJLUTSLNSA-N 1 0 306.366 1.604 20 5 DDBDRO C[C@@H]1CN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC[C@@H]1[NH3+] ZINC000430974492 420230640 /nfs/dbraw/zinc/23/06/40/420230640.db2.gz ZZMFHEMVIZZMKC-RISCZKNCSA-N 1 0 318.377 1.153 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H](C[NH3+])C(C)(C)C ZINC000420369986 420240086 /nfs/dbraw/zinc/24/00/86/420240086.db2.gz VPTGCEYBOGIPTI-CYBMUJFWSA-N 1 0 308.382 1.805 20 5 DDBDRO CCc1ccccc1[C@H]([NH3+])CNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000423981632 420289490 /nfs/dbraw/zinc/28/94/90/420289490.db2.gz QWMMMKOIUWPNQG-CYBMUJFWSA-N 1 0 316.361 1.926 20 5 DDBDRO O=[N+]([O-])c1ccn(CCN2CC[NH2+]C[C@@H]2c2ccccc2)n1 ZINC000420397967 420260932 /nfs/dbraw/zinc/26/09/32/420260932.db2.gz GQPGEORWAJSNCO-CQSZACIVSA-N 1 0 301.350 1.438 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1CN1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000420401762 420263665 /nfs/dbraw/zinc/26/36/65/420263665.db2.gz JJRJORZEMBSVHZ-CYBMUJFWSA-N 1 0 301.350 1.475 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC(C)(C)C[NH3+])c1 ZINC000420414187 420269653 /nfs/dbraw/zinc/26/96/53/420269653.db2.gz GSHAIJDQDCCOFO-UHFFFAOYSA-N 1 0 301.368 1.227 20 5 DDBDRO C[C@@H]1C[C@@H](Nc2c(C(N)=O)cccc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000420600820 420327711 /nfs/dbraw/zinc/32/77/11/420327711.db2.gz MTBCDJAUEDAGPE-NXEZZACHSA-N 1 0 304.350 1.731 20 5 DDBDRO Cc1ccc(S(=O)(=O)N[C@H]2CC[C@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000420454701 420298843 /nfs/dbraw/zinc/29/88/43/420298843.db2.gz WOLPCOCQUGDIJG-QWRGUYRKSA-N 1 0 313.379 1.309 20 5 DDBDRO CC1(C)CN(C(=O)NCCc2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000417762446 420471039 /nfs/dbraw/zinc/47/10/39/420471039.db2.gz IRPIFOCTMLISDD-UHFFFAOYSA-N 1 0 306.366 1.531 20 5 DDBDRO C[NH+](C)CCOCCNC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000492344007 420530965 /nfs/dbraw/zinc/53/09/65/420530965.db2.gz AUJNAMJVFWQJCQ-FPLPWBNLSA-N 1 0 307.350 1.302 20 5 DDBDRO COc1cccc(NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c1[N+](=O)[O-] ZINC000450789075 420532828 /nfs/dbraw/zinc/53/28/28/420532828.db2.gz IGHOOIOVHOHXKD-TXEJJXNPSA-N 1 0 307.350 1.879 20 5 DDBDRO CCOc1cccc(N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000450797330 420533415 /nfs/dbraw/zinc/53/34/15/420533415.db2.gz SDIHZRPFLLOIFG-BETUJISGSA-N 1 0 323.393 1.885 20 5 DDBDRO CC[C@@H](C)[NH+]1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000450863828 420548161 /nfs/dbraw/zinc/54/81/61/420548161.db2.gz UJCZCUOEESVMTA-LLVKDONJSA-N 1 0 304.354 1.558 20 5 DDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@H](C)C[NH3+])cc1OC ZINC000441609295 420656785 /nfs/dbraw/zinc/65/67/85/420656785.db2.gz JHHOAOJOZRNUKT-SECBINFHSA-N 1 0 311.338 1.327 20 5 DDBDRO CN(CC(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1)c1ccccc1[N+](=O)[O-] ZINC000452976241 420693838 /nfs/dbraw/zinc/69/38/38/420693838.db2.gz OGWSLEFLCPMGJH-SWLSCSKDSA-N 1 0 318.377 1.194 20 5 DDBDRO C[NH+](C)C/C=C/C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000493040481 420741797 /nfs/dbraw/zinc/74/17/97/420741797.db2.gz RWXDMJLDIXKVTP-ONEGZZNKSA-N 1 0 316.361 1.853 20 5 DDBDRO CC[C@H]([NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)C(=O)NC ZINC000453408658 420724898 /nfs/dbraw/zinc/72/48/98/420724898.db2.gz QQJWYKVQPJGTJV-QJPTWQEYSA-N 1 0 309.370 1.389 20 5 DDBDRO CC(C)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447519669 420777941 /nfs/dbraw/zinc/77/79/41/420777941.db2.gz QYLUHBNOXHJWND-VXGBXAGGSA-N 1 0 309.370 1.389 20 5 DDBDRO O=C(/C=C\c1ccccc1[N+](=O)[O-])N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000493206289 420787250 /nfs/dbraw/zinc/78/72/50/420787250.db2.gz XHEYENCQRFAXJR-DDRUTMOTSA-N 1 0 301.346 1.961 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](C)N1CCOCC1 ZINC000449068596 420944943 /nfs/dbraw/zinc/94/49/43/420944943.db2.gz CAOCEBBSASZRQM-KGLIPLIRSA-N 1 0 307.394 1.836 20 5 DDBDRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000449637622 421041761 /nfs/dbraw/zinc/04/17/61/421041761.db2.gz HBFIWPNVWPZGMJ-VXGBXAGGSA-N 1 0 307.350 1.607 20 5 DDBDRO CNc1nc(C(=O)N2CCC[C@@H]([NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000456041712 421091998 /nfs/dbraw/zinc/09/19/98/421091998.db2.gz OIBFELQHRIYWDL-LLVKDONJSA-N 1 0 321.381 1.588 20 5 DDBDRO Cc1c(NC(=O)CC[N@H+]2CC[C@H](CO)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000488809134 421118831 /nfs/dbraw/zinc/11/88/31/421118831.db2.gz SXAZSOFZCYXMOS-QWHCGFSZSA-N 1 0 321.377 1.935 20 5 DDBDRO CC[C@H](C)[NH+]1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000456541671 421180803 /nfs/dbraw/zinc/18/08/03/421180803.db2.gz DHPSODIAXCAYEC-ZDUSSCGKSA-N 1 0 320.393 1.949 20 5 DDBDRO COc1ccc(CC(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000561582986 421331032 /nfs/dbraw/zinc/33/10/32/421331032.db2.gz GEAVLZGLVOEZEW-TXEJJXNPSA-N 1 0 321.377 1.697 20 5 DDBDRO CC[C@H]1C[N@H+](C)CCN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000514649900 421442816 /nfs/dbraw/zinc/44/28/16/421442816.db2.gz OCLZXUWIPLSZRH-KBPBESRZSA-N 1 0 323.393 1.361 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000515414230 421501076 /nfs/dbraw/zinc/50/10/76/421501076.db2.gz HAOIBYARHIWEQG-LBPRGKRZSA-N 1 0 309.370 1.138 20 5 DDBDRO CS(=O)(=O)CCCC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000563415852 421506399 /nfs/dbraw/zinc/50/63/99/421506399.db2.gz FLSCHNOIHSDKDJ-CYBMUJFWSA-N 1 0 312.391 1.997 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCC[C@H](C[NH3+])C1 ZINC000564189651 421573026 /nfs/dbraw/zinc/57/30/26/421573026.db2.gz VLHZZQDLGMAHGK-LLVKDONJSA-N 1 0 322.365 1.484 20 5 DDBDRO C[NH+](C)[C@H]1CCCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000518772702 421667000 /nfs/dbraw/zinc/66/70/00/421667000.db2.gz WORQXXZFFRFEKB-JTQLQIEISA-N 1 0 321.333 1.490 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000517988423 421636435 /nfs/dbraw/zinc/63/64/35/421636435.db2.gz HYYMTSOIJHBMED-UHFFFAOYSA-N 1 0 308.382 1.928 20 5 DDBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])cn1C)[N@@H+]1CCCC[C@@H]1C ZINC000518219673 421646048 /nfs/dbraw/zinc/64/60/48/421646048.db2.gz KWOKYFZKZOMHLP-NWDGAFQWSA-N 1 0 308.382 1.926 20 5 DDBDRO COc1cc(C)cc(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000571551600 421725761 /nfs/dbraw/zinc/72/57/61/421725761.db2.gz FTIJSZDNJZUIQL-CQSZACIVSA-N 1 0 320.349 1.259 20 5 DDBDRO C[NH2+][C@@H](C)Cc1noc(Cc2ccc(OC)c([N+](=O)[O-])c2)n1 ZINC000571999823 421758948 /nfs/dbraw/zinc/75/89/48/421758948.db2.gz LCJAFPVPBUDBMD-VIFPVBQESA-N 1 0 306.322 1.728 20 5 DDBDRO COCC[NH2+]C1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000520829445 421765510 /nfs/dbraw/zinc/76/55/10/421765510.db2.gz WCTWRJDCPQSCLA-UHFFFAOYSA-N 1 0 321.377 1.364 20 5 DDBDRO CNc1nccc(C(=O)NC[C@@H](CC(C)C)[NH+](C)C)c1[N+](=O)[O-] ZINC000572176849 421767298 /nfs/dbraw/zinc/76/72/98/421767298.db2.gz KQDUYFQZROMCSX-LLVKDONJSA-N 1 0 323.397 1.738 20 5 DDBDRO C[C@H](C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)Cc1cccs1 ZINC000521031297 421770720 /nfs/dbraw/zinc/77/07/20/421770720.db2.gz ZLJSEGPLYPWFFB-AAEUAGOBSA-N 1 0 324.406 1.682 20 5 DDBDRO CO[C@H](C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C(C)C ZINC000581662074 422020851 /nfs/dbraw/zinc/02/08/51/422020851.db2.gz TWXFJXVDMINSKT-UKRRQHHQSA-N 1 0 312.366 1.595 20 5 DDBDRO CC[C@@H]1CN(c2ncc([N+](=O)[O-])cc2F)CCN1C[C@H](C)O ZINC000574857982 422195503 /nfs/dbraw/zinc/19/55/03/422195503.db2.gz OSHACRCQLAQGLC-WDEREUQCSA-N 1 0 312.345 1.410 20 5 DDBDRO O=C1CCCN1CCC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000575810587 422332072 /nfs/dbraw/zinc/33/20/72/422332072.db2.gz QQGWVHGOOJRJHI-UHFFFAOYSA-N 1 0 321.381 1.441 20 5 DDBDRO O=[N+]([O-])c1cc2ccccc2nc1NCC[N@H+]1CC[C@@H](O)C1 ZINC000599175979 422404512 /nfs/dbraw/zinc/40/45/12/422404512.db2.gz MBHXNIJWPBNIQC-GFCCVEGCSA-N 1 0 302.334 1.622 20 5 DDBDRO C[C@]1(O)CCCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000179708886 263362390 /nfs/dbraw/zinc/36/23/90/263362390.db2.gz VIRMIBFDGMGARC-HNNXBMFYSA-N 1 0 308.334 1.808 20 5 DDBDRO CC[N@H+](CCO)CCNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000183990957 263384011 /nfs/dbraw/zinc/38/40/11/263384011.db2.gz DSQJEIAZKIRRDH-UHFFFAOYSA-N 1 0 320.349 1.120 20 5 DDBDRO CC[NH+]1CCN(CCNC(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000344442510 272028504 /nfs/dbraw/zinc/02/85/04/272028504.db2.gz QYEOZISRSRTFOH-UHFFFAOYSA-N 1 0 324.356 1.101 20 5 DDBDRO [NH3+][C@@H]1CCCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000346049712 272399059 /nfs/dbraw/zinc/39/90/59/272399059.db2.gz ZUFVLCKRTMNOKM-RISCZKNCSA-N 1 0 304.350 1.123 20 5 DDBDRO CCOc1cccc(N2CC[NH+]([C@H](CC)CO)CC2)c1[N+](=O)[O-] ZINC000184126101 273709172 /nfs/dbraw/zinc/70/91/72/273709172.db2.gz LBNBZPOFEBRKNR-CYBMUJFWSA-N 1 0 323.393 1.886 20 5 DDBDRO O=C([C@H]1C[C@@]12CC[NH2+]C2)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000444119756 275009824 /nfs/dbraw/zinc/00/98/24/275009824.db2.gz BQWIMWAEKDONKQ-GDBMZVCRSA-N 1 0 301.346 1.479 20 5 DDBDRO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000269468880 276370640 /nfs/dbraw/zinc/37/06/40/276370640.db2.gz ILVNMBIWUOUDBK-LLVKDONJSA-N 1 0 323.397 1.998 20 5 DDBDRO C[NH+](C)C1CCC(NC(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000422002442 276772379 /nfs/dbraw/zinc/77/23/79/276772379.db2.gz AXGIILZALWYFCQ-UHFFFAOYSA-N 1 0 306.366 1.780 20 5 DDBDRO COCC(C)(C)[NH+]1CCN(c2nc(C)ccc2[N+](=O)[O-])CC1 ZINC000425280457 277481674 /nfs/dbraw/zinc/48/16/74/277481674.db2.gz NPBOIZUJKJHDMV-UHFFFAOYSA-N 1 0 308.382 1.845 20 5 DDBDRO C[C@H](C[NH3+])N(C)C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000179184674 279292244 /nfs/dbraw/zinc/29/22/44/279292244.db2.gz WQNYNSHWWRMJHN-SNVBAGLBSA-N 1 0 303.322 1.200 20 5 DDBDRO C[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)NC(=O)NC1CC1 ZINC000296679991 279498842 /nfs/dbraw/zinc/49/88/42/279498842.db2.gz IBSHEZVWIQPDEI-UWVGGRQHSA-N 1 0 320.349 1.622 20 5 DDBDRO C[C@H]1CN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@@H](C)C[NH2+]1 ZINC000420244618 279887213 /nfs/dbraw/zinc/88/72/13/279887213.db2.gz YTGBFJXMMUZKLR-UWVGGRQHSA-N 1 0 303.322 1.831 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC(C)(C)CC[NH3+])c1 ZINC000422554687 280654709 /nfs/dbraw/zinc/65/47/09/280654709.db2.gz XZVQLPRLQBNYLN-UHFFFAOYSA-N 1 0 315.395 1.617 20 5 DDBDRO Cn1c(C(=O)N2C[C@H]([NH3+])Cc3ccccc32)ccc1[N+](=O)[O-] ZINC000262025387 294150505 /nfs/dbraw/zinc/15/05/05/294150505.db2.gz YDORJSGRIUIVRU-LLVKDONJSA-N 1 0 300.318 1.464 20 5 DDBDRO [NH3+][C@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000237926003 295340406 /nfs/dbraw/zinc/34/04/06/295340406.db2.gz QKQORRQEQZXTOM-QMMMGPOBSA-N 1 0 303.240 1.787 20 5 DDBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000574383971 304648057 /nfs/dbraw/zinc/64/80/57/304648057.db2.gz YETDZEQCOVXRMV-STQMWFEESA-N 1 0 304.350 1.346 20 5 DDBDRO C[C@H](CC[NH+](C)C)NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000362763921 300134321 /nfs/dbraw/zinc/13/43/21/300134321.db2.gz XJNNVZRTZSJOSZ-SECBINFHSA-N 1 0 315.320 1.872 20 5 DDBDRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)Nc1cccc([N+](=O)[O-])c1 ZINC000363094694 300209724 /nfs/dbraw/zinc/20/97/24/300209724.db2.gz HJUNASPVYGGADS-KGLIPLIRSA-N 1 0 320.349 1.580 20 5 DDBDRO C[N@@H+]1CCC[C@@H](N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000363220106 300234113 /nfs/dbraw/zinc/23/41/13/300234113.db2.gz BTFLMVIIVYMCHZ-MRXNPFEDSA-N 1 0 304.394 1.811 20 5 DDBDRO C[N@@H+]1CCC[C@H](N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000363220105 300234280 /nfs/dbraw/zinc/23/42/80/300234280.db2.gz BTFLMVIIVYMCHZ-INIZCTEOSA-N 1 0 304.394 1.811 20 5 DDBDRO COc1ccc(C[NH2+][C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)cc1[N+](=O)[O-] ZINC000363265101 300242003 /nfs/dbraw/zinc/24/20/03/300242003.db2.gz XFCFAMLUBWZXFC-UHTWSYAYSA-N 1 0 319.361 1.702 20 5 DDBDRO O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]1C[C@H]1[N+](=O)[O-] ZINC000363304923 300248104 /nfs/dbraw/zinc/24/81/04/300248104.db2.gz MBOLJWVVDLJXAC-QLFBSQMISA-N 1 0 303.362 1.432 20 5 DDBDRO O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000364395947 300389624 /nfs/dbraw/zinc/38/96/24/300389624.db2.gz CEVOVUOLUANJJF-IACUBPJLSA-N 1 0 323.418 1.742 20 5 DDBDRO O=C(c1n[nH]cc1[N+](=O)[O-])N1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000368458457 301033046 /nfs/dbraw/zinc/03/30/46/301033046.db2.gz MOJSOJIQBSBOQC-LBPRGKRZSA-N 1 0 321.381 1.656 20 5 DDBDRO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000368952732 301109245 /nfs/dbraw/zinc/10/92/45/301109245.db2.gz XEMHFXPZGJHAJE-DFBGVHRSSA-N 1 0 319.361 1.559 20 5 DDBDRO O=C(NC[C@@H]1CCC[N@@H+]1CCc1ccccc1)[C@H]1C[C@@H]1[N+](=O)[O-] ZINC000370217832 301296423 /nfs/dbraw/zinc/29/64/23/301296423.db2.gz BQENGVXURUUPII-JYJNAYRXSA-N 1 0 317.389 1.475 20 5 DDBDRO Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000193225063 301551349 /nfs/dbraw/zinc/55/13/49/301551349.db2.gz ATOYULCYRMJOHS-LLVKDONJSA-N 1 0 313.379 1.323 20 5 DDBDRO O=[N+]([O-])c1ccn(C2CC[NH+](CCCN3CCOCC3)CC2)n1 ZINC000376034966 302028845 /nfs/dbraw/zinc/02/88/45/302028845.db2.gz ORHBTHYZQKEUIQ-UHFFFAOYSA-N 1 0 323.397 1.151 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1CN1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000377767980 302229102 /nfs/dbraw/zinc/22/91/02/302229102.db2.gz PCICNHQPGBMJJI-OLZOCXBDSA-N 1 0 306.366 1.862 20 5 DDBDRO O=C1CCCN1CC1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000377962980 302257960 /nfs/dbraw/zinc/25/79/60/302257960.db2.gz MWVLNWYGIBQZPX-UHFFFAOYSA-N 1 0 321.381 1.126 20 5 DDBDRO Cc1cc(S(=O)(=O)N[C@@H](C)C[C@H](C)[NH3+])c(C)cc1[N+](=O)[O-] ZINC000514678798 302738956 /nfs/dbraw/zinc/73/89/56/302738956.db2.gz VNCYDWZYLPVQIL-QWRGUYRKSA-N 1 0 315.395 1.616 20 5 DDBDRO COc1cc(C(=O)NC[C@H](C)[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000522316567 302889572 /nfs/dbraw/zinc/88/95/72/302889572.db2.gz QNYWXWSGDWRBRC-NSHDSACASA-N 1 0 307.350 1.818 20 5 DDBDRO Cn1ccnc1[C@H](NC[C@@H]([NH3+])C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000423326295 303004232 /nfs/dbraw/zinc/00/42/32/303004232.db2.gz QWQZFMQKXZWXGB-HUUCEWRRSA-N 1 0 315.377 1.745 20 5 DDBDRO [NH3+]C[C@@H]1CCCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000157643766 303402754 /nfs/dbraw/zinc/40/27/54/303402754.db2.gz GQFVSBYEEMBNNG-VIFPVBQESA-N 1 0 317.342 1.093 20 5 DDBDRO [NH3+]C[C@H]1CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000178905393 303428094 /nfs/dbraw/zinc/42/80/94/303428094.db2.gz GGAVLHYSCDSWNZ-MRVPVSSYSA-N 1 0 319.770 1.218 20 5 DDBDRO C[C@@H]1C[C@@H](NC(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000561159464 303832176 /nfs/dbraw/zinc/83/21/76/303832176.db2.gz PEZWBOCAWWOEFY-NEPJUHHUSA-N 1 0 322.365 1.413 20 5 DDBDRO CO[C@@H](C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000562998233 303908015 /nfs/dbraw/zinc/90/80/15/303908015.db2.gz CXQSQLOKPYPIEJ-HIFRSBDPSA-N 1 0 310.350 1.349 20 5 DDBDRO CC(C)(CNC(=O)c1cc([N+](=O)[O-])cnc1N)C[NH+]1CCCC1 ZINC000361400984 306994443 /nfs/dbraw/zinc/99/44/43/306994443.db2.gz UEBMXUNVBGAVSM-UHFFFAOYSA-N 1 0 321.381 1.424 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@H]2c3ccccc3CC[C@@H]2CO)c1 ZINC000364584066 307048566 /nfs/dbraw/zinc/04/85/66/307048566.db2.gz PDMIDWNIPQNKLQ-CZUORRHYSA-N 1 0 316.361 1.677 20 5 DDBDRO [NH3+][C@@H]1CCC[C@]12CCN(C(=O)CNc1ccccc1[N+](=O)[O-])C2 ZINC000365107223 307058730 /nfs/dbraw/zinc/05/87/30/307058730.db2.gz YEQMRQYELFFJDG-GDBMZVCRSA-N 1 0 318.377 1.737 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCC[C@H](c3nnc[nH]3)C2)c1 ZINC000366652338 307078792 /nfs/dbraw/zinc/07/87/92/307078792.db2.gz KMPDFEYWEMVKTL-JSGCOSHPSA-N 1 0 317.349 1.626 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000369067638 307115254 /nfs/dbraw/zinc/11/52/54/307115254.db2.gz UUZQFMZUIJHRRV-GFCCVEGCSA-N 1 0 321.381 1.233 20 5 DDBDRO COC(=O)N1CC([NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000496075711 307325238 /nfs/dbraw/zinc/32/52/38/307325238.db2.gz HWBHWEQLOOFITM-VXGBXAGGSA-N 1 0 323.353 1.315 20 5 DDBDRO CCN(CCC[NH+](C)C)C(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000530346220 307594698 /nfs/dbraw/zinc/59/46/98/307594698.db2.gz SFOFENBRDLYLAJ-UHFFFAOYSA-N 1 0 323.393 1.946 20 5 DDBDRO CC[NH+]1CCN(CC(=O)Nc2cc([N+](=O)[O-])ccc2NC)CC1 ZINC000564730610 308004270 /nfs/dbraw/zinc/00/42/70/308004270.db2.gz NPSBGRFXYNPIQU-UHFFFAOYSA-N 1 0 321.381 1.213 20 5 DDBDRO O=c1oc(-c2ccccc2[N+](=O)[O-])nn1CC[NH+]1CCCCC1 ZINC000566067533 308042271 /nfs/dbraw/zinc/04/22/71/308042271.db2.gz MPJNKNHAYAIBNT-UHFFFAOYSA-N 1 0 318.333 1.897 20 5 DDBDRO CC1(C)SC[C@H]1[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000566129666 308045466 /nfs/dbraw/zinc/04/54/66/308045466.db2.gz HEYVOHIOTPECFN-GXFFZTMASA-N 1 0 312.391 1.818 20 5 DDBDRO [NH3+][C@H](CNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)C1CC1 ZINC000569912361 308154507 /nfs/dbraw/zinc/15/45/07/308154507.db2.gz JKFDXNNBLXNOCS-CYBMUJFWSA-N 1 0 304.350 1.400 20 5 DDBDRO O=c1c2c(ncn1Cc1ccc([N+](=O)[O-])cc1F)CC[NH2+]CC2 ZINC000572360689 308219043 /nfs/dbraw/zinc/21/90/43/308219043.db2.gz DYHXLSMBPKUFQC-UHFFFAOYSA-N 1 0 318.308 1.027 20 5 DDBDRO C[N@@H+]1CC[C@H](C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000577208709 308370837 /nfs/dbraw/zinc/37/08/37/308370837.db2.gz PVPDGVUXAAXPLY-ZDUSSCGKSA-N 1 0 318.377 1.195 20 5 DDBDRO COc1ccc(CC(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000578231388 308447374 /nfs/dbraw/zinc/44/73/74/308447374.db2.gz PWBWTFDXMBUAIG-DGCLKSJQSA-N 1 0 321.377 1.589 20 5 DDBDRO CC(C)[C@H](CO)C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000579592475 308543513 /nfs/dbraw/zinc/54/35/13/308543513.db2.gz VFZSCJXBGLHRPZ-JSGCOSHPSA-N 1 0 312.366 1.189 20 5 DDBDRO C[C@H]([NH3+])c1ccc(CNC(=O)c2cc([N+](=O)[O-])cn2C)cc1 ZINC000581661637 325893641 /nfs/dbraw/zinc/89/36/41/325893641.db2.gz GAOLOVOOBQZUHL-JTQLQIEISA-N 1 0 302.334 1.883 20 5 DDBDRO COc1cc(C[N@H+](C)[C@@H]2CCC(=O)N(C)C2)ccc1[N+](=O)[O-] ZINC000582310094 326010280 /nfs/dbraw/zinc/01/02/80/326010280.db2.gz YVIDHKRLYZSGTD-GFCCVEGCSA-N 1 0 307.350 1.656 20 5 DDBDRO C[C@]1(CN2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC[NH2+]C1 ZINC000582845744 337205931 /nfs/dbraw/zinc/20/59/31/337205931.db2.gz JAHBRYFGXHJHDM-HNNXBMFYSA-N 1 0 305.382 1.111 20 5 DDBDRO Cc1c(C(=O)N[C@@H]2CCC[N@H+](CCCO)C2)cccc1[N+](=O)[O-] ZINC000295633394 533806083 /nfs/dbraw/zinc/80/60/83/533806083.db2.gz ZMECBTLPZHFAFP-CYBMUJFWSA-N 1 0 321.377 1.480 20 5 DDBDRO COc1cc(CN2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000451658203 533827230 /nfs/dbraw/zinc/82/72/30/533827230.db2.gz CIEDABJCBSXXHR-BETUJISGSA-N 1 0 323.393 1.490 20 5 DDBDRO Cc1ccc(C[NH2+]CCN2C[C@H]3CC[C@@H](C2)O3)cc1[N+](=O)[O-] ZINC000451219633 534058040 /nfs/dbraw/zinc/05/80/40/534058040.db2.gz DPWHTRCLEXKFOT-GASCZTMLSA-N 1 0 305.378 1.856 20 5 DDBDRO C[C@@H]1OCC[C@]1(C)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000494281662 534204856 /nfs/dbraw/zinc/20/48/56/534204856.db2.gz HAJYXKUYNADSQQ-ZOWXZIJZSA-N 1 0 310.350 1.492 20 5 DDBDRO C[C@@H]1OCC[C@]1(C)[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000494281624 534205659 /nfs/dbraw/zinc/20/56/59/534205659.db2.gz GMFVBMFRWSYBIV-ZBEGNZNMSA-N 1 0 319.361 1.641 20 5 DDBDRO C[NH2+]C[C@@H]1CCCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000156609798 522049531 /nfs/dbraw/zinc/04/95/31/522049531.db2.gz CMBJQVPHZXZISM-LBPRGKRZSA-N 1 0 313.379 1.276 20 5 DDBDRO O=[N+]([O-])c1cccc(CS(=O)(=O)NCC[C@@H]2CC[NH2+]C2)c1 ZINC000443457091 534885877 /nfs/dbraw/zinc/88/58/77/534885877.db2.gz WBEDXXFBFCSOEU-NSHDSACASA-N 1 0 313.379 1.014 20 5 DDBDRO CC(C)(CC[NH3+])NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000424044960 527029386 /nfs/dbraw/zinc/02/93/86/527029386.db2.gz GRMAOMHZSZAVCI-UHFFFAOYSA-N 1 0 318.337 1.033 20 5 DDBDRO O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159854358 527627864 /nfs/dbraw/zinc/62/78/64/527627864.db2.gz DFRRAZNXEYBTBR-CWZTWBIVSA-N 1 0 301.346 1.961 20 5 DDBDRO COc1cc(C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000334041730 536521904 /nfs/dbraw/zinc/52/19/04/536521904.db2.gz AGAMPOAMTMBBCM-PWSUYJOCSA-N 1 0 307.350 1.816 20 5 DDBDRO CCOC(=O)c1cc(C(=O)N2CCC[C@H]2C[NH3+])cc([N+](=O)[O-])c1 ZINC000422874809 528139662 /nfs/dbraw/zinc/13/96/62/528139662.db2.gz DFZVIEDOCLZBTI-LBPRGKRZSA-N 1 0 321.333 1.335 20 5 DDBDRO CC(C)c1ccc([C@H]([NH3+])CNC(=O)c2[nH]ncc2[N+](=O)[O-])cc1 ZINC000422797484 528145231 /nfs/dbraw/zinc/14/52/31/528145231.db2.gz MVSSYNDIUSVOJJ-GFCCVEGCSA-N 1 0 317.349 1.871 20 5 DDBDRO CCOC(=O)c1cc(C(=O)NCCCC[NH3+])cc([N+](=O)[O-])c1 ZINC000423502007 528145695 /nfs/dbraw/zinc/14/56/95/528145695.db2.gz LSCUTYUMVGUFQN-UHFFFAOYSA-N 1 0 309.322 1.240 20 5 DDBDRO CC[NH+](CC)[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC)C1 ZINC000301451779 528259379 /nfs/dbraw/zinc/25/93/79/528259379.db2.gz GCIYHMMVWRMOOF-CYBMUJFWSA-N 1 0 320.393 1.875 20 5 DDBDRO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000424048739 529130264 /nfs/dbraw/zinc/13/02/64/529130264.db2.gz ZKLBROGLCZJBTD-GFCCVEGCSA-N 1 0 307.354 1.168 20 5 DDBDRO C[NH+](C)C1CCN(c2ccc(-c3nn[nH]n3)c([N+](=O)[O-])c2)CC1 ZINC000821583539 606644816 /nfs/dbraw/zinc/64/48/16/606644816.db2.gz ZDCQJSGVBSIGKS-UHFFFAOYSA-N 1 0 317.353 1.305 20 5 DDBDRO CCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000071312854 696391936 /nfs/dbraw/zinc/39/19/36/696391936.db2.gz BAUCCNVICXQKBB-GFCCVEGCSA-N 1 0 313.379 1.276 20 5 DDBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000078231716 696448592 /nfs/dbraw/zinc/44/85/92/696448592.db2.gz OTXCSKKCCUKYJX-NSHDSACASA-N 1 0 322.321 1.717 20 5 DDBDRO CN(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000125373162 696752764 /nfs/dbraw/zinc/75/27/64/696752764.db2.gz SQFAXFLCVCYOMR-UHFFFAOYSA-N 1 0 308.294 1.327 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H](C[NH+](C)C)C(C)C ZINC000748847563 700138504 /nfs/dbraw/zinc/13/85/04/700138504.db2.gz AYSPHVHMURYGHX-GFCCVEGCSA-N 1 0 311.386 1.192 20 5 DDBDRO C[C@H](NC(=O)COC1CC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000262007258 698450570 /nfs/dbraw/zinc/45/05/70/698450570.db2.gz VZQMSSOXUYOQFK-NSHDSACASA-N 1 0 307.350 1.541 20 5 DDBDRO O=[N+]([O-])c1ccc(F)cc1CN1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262437512 698469956 /nfs/dbraw/zinc/46/99/56/698469956.db2.gz GLWBDRPMAFUIBU-AWEZNQCLSA-N 1 0 308.357 1.213 20 5 DDBDRO O=[N+]([O-])c1c(NCC[N@@H+]2CCCOCC2)nc2ccccn21 ZINC000782418936 698723429 /nfs/dbraw/zinc/72/34/29/698723429.db2.gz YWFFDQNXDPVNEZ-UHFFFAOYSA-N 1 0 305.338 1.377 20 5 DDBDRO O=C(OCCn1cc([N+](=O)[O-])cn1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000786878706 699176552 /nfs/dbraw/zinc/17/65/52/699176552.db2.gz GIDXRNKAIZAUMU-CQSZACIVSA-N 1 0 322.365 1.742 20 5 DDBDRO C[C@@H]([NH2+]C[C@]1(CCO)CCOC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788630894 699329007 /nfs/dbraw/zinc/32/90/07/699329007.db2.gz JPAGVYZOXREPCO-ABAIWWIYSA-N 1 0 309.366 1.617 20 5 DDBDRO CN(CC1CCOCC1)Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000794638324 699820557 /nfs/dbraw/zinc/82/05/57/699820557.db2.gz CGIUMXWIZQCDMN-UHFFFAOYSA-N 1 0 321.333 1.819 20 5 DDBDRO CN(C(=O)c1cc([N+](=O)[O-])c(F)cc1N)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000801891055 700351126 /nfs/dbraw/zinc/35/11/26/700351126.db2.gz GNAYFLQWFZVQBI-SNVBAGLBSA-N 1 0 322.340 1.625 20 5 DDBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](CCC3OCCCO3)C2)nc1 ZINC000754652246 700516991 /nfs/dbraw/zinc/51/69/91/700516991.db2.gz MDEWSJXAQGUMLF-GFCCVEGCSA-N 1 0 322.365 1.629 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC[C@@H](C(F)(F)F)C2)c1 ZINC000761056546 700837157 /nfs/dbraw/zinc/83/71/57/700837157.db2.gz YADKAXYKHMQBIA-SCZZXKLOSA-N 1 0 308.260 1.036 20 5 DDBDRO C[NH+](C)C[C@H](O)CNc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000761197523 700849256 /nfs/dbraw/zinc/84/92/56/700849256.db2.gz IYXKXJHIIJOGII-CYBMUJFWSA-N 1 0 316.361 1.991 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@@H](CCO)C2CCOCC2)cc1 ZINC000763903420 700952523 /nfs/dbraw/zinc/95/25/23/700952523.db2.gz RRAZIQLPWVAIGT-HOTGVXAUSA-N 1 0 324.377 1.395 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NC[C@H](O)C[NH+](C)C ZINC000804344486 701181238 /nfs/dbraw/zinc/18/12/38/701181238.db2.gz TTYIVXTZJKGPGZ-JTQLQIEISA-N 1 0 311.338 1.024 20 5 DDBDRO Cn1ncc2c1CCC[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000839625963 701757294 /nfs/dbraw/zinc/75/72/94/701757294.db2.gz YVRNGRUXMDZMLS-INIZCTEOSA-N 1 0 316.361 1.810 20 5 DDBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839699250 701788596 /nfs/dbraw/zinc/78/85/96/701788596.db2.gz UURHDVPYWKHEFK-LCGIIJARSA-N 1 0 317.389 1.678 20 5 DDBDRO C[NH+](C)[C@@H]1CCOc2c(NC(=O)[C@@H]3CC3[N+](=O)[O-])cccc21 ZINC000839748206 701808276 /nfs/dbraw/zinc/80/82/76/701808276.db2.gz IMFZCFOWWIHWSR-RAIGVLPGSA-N 1 0 305.334 1.676 20 5 DDBDRO CC(=O)N1CCC([NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000815554718 701896765 /nfs/dbraw/zinc/89/67/65/701896765.db2.gz HFMCATOKACBZJT-JTQLQIEISA-N 1 0 306.366 1.839 20 5 DDBDRO CO[C@@H]1C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@](C)(CO)C1 ZINC000879261385 706633278 /nfs/dbraw/zinc/63/32/78/706633278.db2.gz JMGVNWZFIXPNRL-KKUMJFAQSA-N 1 0 310.350 1.100 20 5 DDBDRO COc1c(C(=O)N2C[C@@H]3CC[N@H+](C)C[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000812337391 702161553 /nfs/dbraw/zinc/16/15/53/702161553.db2.gz DPMNFUGEKDZTGA-NWDGAFQWSA-N 1 0 319.361 1.627 20 5 DDBDRO COCCN(C)CC[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866255616 706658857 /nfs/dbraw/zinc/65/88/57/706658857.db2.gz ZEKNAEMQSDYDBF-LBPRGKRZSA-N 1 0 313.373 1.833 20 5 DDBDRO C[C@@H]([NH3+])CNC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000841162334 702372036 /nfs/dbraw/zinc/37/20/36/702372036.db2.gz UMVUTDZETWTDDH-ZCFIWIBFSA-N 1 0 317.143 1.826 20 5 DDBDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)Cc3cccc(F)c3[N+](=O)[O-])[C@@H]2C1 ZINC000868967390 702409749 /nfs/dbraw/zinc/40/97/49/702409749.db2.gz LRVQDPWXZAUKBS-GXTWGEPZSA-N 1 0 321.352 1.829 20 5 DDBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000817679645 702448973 /nfs/dbraw/zinc/44/89/73/702448973.db2.gz VENUOKWZJGOQBL-KBPBESRZSA-N 1 0 307.350 1.181 20 5 DDBDRO CC(C)[C@@H]1CN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])CC[NH2+]1 ZINC000869330850 702571005 /nfs/dbraw/zinc/57/10/05/702571005.db2.gz RLSRTXFVJXRMIK-ZDUSSCGKSA-N 1 0 309.341 1.733 20 5 DDBDRO CON(C)C(=O)[C@@H](C)[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866400231 706689679 /nfs/dbraw/zinc/68/96/79/706689679.db2.gz ZSQVIDKZGWIFJR-VHSXEESVSA-N 1 0 313.329 1.663 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@H]2C[C@H]([NH3+])C2)c1 ZINC000842799926 702776106 /nfs/dbraw/zinc/77/61/06/702776106.db2.gz WTTYIVTUHGLVDU-ZKCHVHJHSA-N 1 0 319.770 1.325 20 5 DDBDRO [NH3+]C[C@H]1CCCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000843046812 702807772 /nfs/dbraw/zinc/80/77/72/702807772.db2.gz BFVKNQZHJBDALU-LLVKDONJSA-N 1 0 307.350 1.537 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@H](O)C2CCOCC2)cc1 ZINC000843082898 702815556 /nfs/dbraw/zinc/81/55/56/702815556.db2.gz LZGINFVVAUJDHZ-CABCVRRESA-N 1 0 310.350 1.005 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N[C@H](C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000843348848 702864035 /nfs/dbraw/zinc/86/40/35/702864035.db2.gz RZAURWRBKKZURJ-SNVBAGLBSA-N 1 0 308.294 1.279 20 5 DDBDRO O=C(CO[C@@H]1CCC[NH2+]C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000843372093 702868773 /nfs/dbraw/zinc/86/87/73/702868773.db2.gz KJZICHOQPWCADO-CYBMUJFWSA-N 1 0 305.334 1.253 20 5 DDBDRO COCC[N@H+]1[C@H](C)CN(C(=O)CCC(C)(C)[N+](=O)[O-])C[C@@H]1C ZINC000844022465 702957451 /nfs/dbraw/zinc/95/74/51/702957451.db2.gz FFQBMXVYIQEPAN-BETUJISGSA-N 1 0 315.414 1.390 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(Cc3ccc(C(N)=O)cc3[N+](=O)[O-])CC[C@H]21 ZINC000879574461 706723458 /nfs/dbraw/zinc/72/34/58/706723458.db2.gz AAQVEZOWIHEPMO-ZIAGYGMSSA-N 1 0 318.377 1.220 20 5 DDBDRO C[NH+](C)CCCS(=O)(=O)Oc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000866620198 706744980 /nfs/dbraw/zinc/74/49/80/706744980.db2.gz YYUKBNRQOXVNEM-UHFFFAOYSA-N 1 0 322.770 1.909 20 5 DDBDRO CN(CC[NH+](C)C)C(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000848586871 703566079 /nfs/dbraw/zinc/56/60/79/703566079.db2.gz DLQWDBSMFTVVCH-UHFFFAOYSA-N 1 0 317.292 1.586 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1-c1noc([C@@H]2C[C@@]23CCC[NH2+]C3)n1 ZINC000848629272 703570216 /nfs/dbraw/zinc/57/02/16/703570216.db2.gz YQTXUWDKRXXWAR-ISVAXAHUSA-N 1 0 304.310 1.235 20 5 DDBDRO COc1ccc(CNC(=[NH2+])N2CCO[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000848996210 703608432 /nfs/dbraw/zinc/60/84/32/703608432.db2.gz LGYSAKNVASZQFL-JTQLQIEISA-N 1 0 308.338 1.348 20 5 DDBDRO [NH3+][C@@H]1CN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CC[C@H]1F ZINC000851648863 703822607 /nfs/dbraw/zinc/82/26/07/703822607.db2.gz QJJKSWPNQWZDJC-NXEZZACHSA-N 1 0 301.705 1.760 20 5 DDBDRO CC1(C)OC[C@H](CC[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)O1 ZINC000851908568 703881722 /nfs/dbraw/zinc/88/17/22/703881722.db2.gz OTZHDCJVSTYLRS-ZDUSSCGKSA-N 1 0 307.350 1.890 20 5 DDBDRO COCC1([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000852089604 703920539 /nfs/dbraw/zinc/92/05/39/703920539.db2.gz HSJAVLNMOFQECW-AWEZNQCLSA-N 1 0 310.350 1.413 20 5 DDBDRO CC(C)C[C@H](C[NH3+])NC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000818554979 703924755 /nfs/dbraw/zinc/92/47/55/703924755.db2.gz FTLABXJLVAYTSN-LLVKDONJSA-N 1 0 308.382 1.764 20 5 DDBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N[C@H]1CC[NH2+]C1 ZINC000818561383 703926142 /nfs/dbraw/zinc/92/61/42/703926142.db2.gz CDYJKMQYUSRHRG-QMMMGPOBSA-N 1 0 301.705 1.408 20 5 DDBDRO COc1ccc(OCCN2CCC[C@H]3[NH2+]CC[C@H]32)c([N+](=O)[O-])c1 ZINC000866723132 706776137 /nfs/dbraw/zinc/77/61/37/706776137.db2.gz DPZMMSNTLWYVNN-ZIAGYGMSSA-N 1 0 321.377 1.809 20 5 DDBDRO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000852316927 704009955 /nfs/dbraw/zinc/00/99/55/704009955.db2.gz ISGARTCVTFGWAE-LLVKDONJSA-N 1 0 305.313 1.848 20 5 DDBDRO O=C1OCCN1[C@@H]1CC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000852437435 704048567 /nfs/dbraw/zinc/04/85/67/704048567.db2.gz YCCMXDFGUWEPCD-KGLIPLIRSA-N 1 0 321.333 1.155 20 5 DDBDRO O=[N+]([O-])c1ccc(OCC[NH2+]C[C@@H](O)c2ccc(F)cn2)cc1 ZINC000819047316 704058534 /nfs/dbraw/zinc/05/85/34/704058534.db2.gz WSOYUEOSCPKBIQ-OAHLLOKOSA-N 1 0 321.308 1.831 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CC2(N3CCOCC3)CC2)cc1 ZINC000819264929 704097252 /nfs/dbraw/zinc/09/72/52/704097252.db2.gz IQJRKLZRIKUJJD-OAHLLOKOSA-N 1 0 321.377 1.083 20 5 DDBDRO CCCN1C[C@H](C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1=O ZINC000819375358 704115914 /nfs/dbraw/zinc/11/59/14/704115914.db2.gz PMVWIIWKTNSQAP-SWLSCSKDSA-N 1 0 321.377 1.476 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(N2CCC[C@H](N3CCOCC3)C2)n1 ZINC000853652756 704293342 /nfs/dbraw/zinc/29/33/42/704293342.db2.gz VLUBYTZXBDVMSQ-ZDUSSCGKSA-N 1 0 306.366 1.599 20 5 DDBDRO COC1(C(=[NH2+])NOCc2onc(C)c2[N+](=O)[O-])CCOCC1 ZINC000853743247 704309126 /nfs/dbraw/zinc/30/91/26/704309126.db2.gz LWLRRXDZYVFDBI-UHFFFAOYSA-N 1 0 314.298 1.085 20 5 DDBDRO [NH3+][C@@H](CNC(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000857763263 704621763 /nfs/dbraw/zinc/62/17/63/704621763.db2.gz SEXWKFKQGDRUAI-NSHDSACASA-N 1 0 315.276 1.420 20 5 DDBDRO O=C(NC1CC[NH2+]CC1)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857762949 704621788 /nfs/dbraw/zinc/62/17/88/704621788.db2.gz JKSJMSNRKJEWQT-UHFFFAOYSA-N 1 0 315.276 1.435 20 5 DDBDRO [NH3+][C@H]1CCN(C(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)C1 ZINC000857764513 704622041 /nfs/dbraw/zinc/62/20/41/704622041.db2.gz RWTKQAAPWMJTPD-QMMMGPOBSA-N 1 0 301.249 1.126 20 5 DDBDRO C[C@@H](C[NH3+])CNC(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857765317 704622274 /nfs/dbraw/zinc/62/22/74/704622274.db2.gz PDWLUFWDGXDEBL-QMMMGPOBSA-N 1 0 303.265 1.277 20 5 DDBDRO O=[N+]([O-])c1c(N2CC[NH+](CCCF)CC2)nc2ccccn21 ZINC000858599613 704733012 /nfs/dbraw/zinc/73/30/12/704733012.db2.gz OXQRBHLPPRVXAZ-UHFFFAOYSA-N 1 0 307.329 1.724 20 5 DDBDRO CCN(CC[NH3+])S(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 ZINC000858620199 704735784 /nfs/dbraw/zinc/73/57/84/704735784.db2.gz WBPGGWDFBUXEFJ-UHFFFAOYSA-N 1 0 305.331 1.012 20 5 DDBDRO CC[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CCCOC1 ZINC000880468412 706983581 /nfs/dbraw/zinc/98/35/81/706983581.db2.gz CZJRPFFBUYWIKS-TZMCWYRMSA-N 1 0 309.366 1.551 20 5 DDBDRO CC[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)[C@H]1CCCOC1 ZINC000880468309 706983673 /nfs/dbraw/zinc/98/36/73/706983673.db2.gz CZJRPFFBUYWIKS-GXTWGEPZSA-N 1 0 309.366 1.551 20 5 DDBDRO CO[C@H](C[NH3+])Cc1nc(Cc2ccc([N+](=O)[O-])c(C)c2)no1 ZINC000822864295 705063961 /nfs/dbraw/zinc/06/39/61/705063961.db2.gz XXZLGGMOKFWSQG-NSHDSACASA-N 1 0 306.322 1.393 20 5 DDBDRO Cc1nc([N+](=O)[O-])c(-c2noc([C@@H]3C[C@@]34CC[NH2+]C4)n2)n1C ZINC000823094653 705138020 /nfs/dbraw/zinc/13/80/20/705138020.db2.gz SIJUTGBHZNHXKZ-ISVAXAHUSA-N 1 0 304.310 1.154 20 5 DDBDRO CC(C)(CCc1noc(-c2cn(CCCC[NH3+])nn2)n1)[N+](=O)[O-] ZINC000823234927 705178565 /nfs/dbraw/zinc/17/85/65/705178565.db2.gz NEMQJJYGQHOSIR-UHFFFAOYSA-N 1 0 323.357 1.055 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000874845029 705199659 /nfs/dbraw/zinc/19/96/59/705199659.db2.gz FFHMFTMKXKPHGU-UONOGXRCSA-N 1 0 319.361 1.912 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000874848147 705201251 /nfs/dbraw/zinc/20/12/51/705201251.db2.gz RUWYMZWEGNRLQP-KBPBESRZSA-N 1 0 304.350 1.607 20 5 DDBDRO CN(Cc1nc(N2CC[NH2+]CC2)no1)c1ccccc1[N+](=O)[O-] ZINC000823310488 705203708 /nfs/dbraw/zinc/20/37/08/705203708.db2.gz XFDUCVNKMJCZSO-UHFFFAOYSA-N 1 0 318.337 1.024 20 5 DDBDRO COC1([C@H](C)[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000834570616 707088413 /nfs/dbraw/zinc/08/84/13/707088413.db2.gz IXPSCVKFRMNJST-WFASDCNBSA-N 1 0 324.377 1.802 20 5 DDBDRO CO[C@@H]1COCC[C@@H]1C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834880456 707145917 /nfs/dbraw/zinc/14/59/17/707145917.db2.gz BLXLBCABPZKJPG-IXPVHAAZSA-N 1 0 309.366 1.879 20 5 DDBDRO C[N@@H+]1CCCC[C@@H](CNC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000862794750 705800402 /nfs/dbraw/zinc/80/04/02/705800402.db2.gz HARPOQYTXYZJGK-WFASDCNBSA-N 1 0 321.377 1.476 20 5 DDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]Cc3cccc(CO)c3)C2)c1 ZINC000877015247 705959655 /nfs/dbraw/zinc/95/96/55/705959655.db2.gz IWJLTBDNTKRVJE-UHFFFAOYSA-N 1 0 302.334 1.777 20 5 DDBDRO CCOC(=O)C1=CC[C@@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000863576541 705962606 /nfs/dbraw/zinc/96/26/06/705962606.db2.gz RIKQLMTVXGNZMF-UKRRQHHQSA-N 1 0 320.345 1.870 20 5 DDBDRO C[C@@H]([NH3+])CN(C)C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000877099512 705983101 /nfs/dbraw/zinc/98/31/01/705983101.db2.gz LHCPNGBUIUSWIB-SSDOTTSWSA-N 1 0 316.155 1.777 20 5 DDBDRO CN(C)c1cccc(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)n1 ZINC000877117767 705989300 /nfs/dbraw/zinc/98/93/00/705989300.db2.gz UTXQYSQIPZTRCZ-UHFFFAOYSA-N 1 0 316.365 1.746 20 5 DDBDRO O=C(COc1ccccc1[N+](=O)[O-])N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877286692 706049066 /nfs/dbraw/zinc/04/90/66/706049066.db2.gz GOLGRZPTFHSDID-NEPJUHHUSA-N 1 0 305.334 1.327 20 5 DDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@H]([C@H](CO)C3CC3)C3CC3)C2)c1 ZINC000877566845 706144103 /nfs/dbraw/zinc/14/41/03/706144103.db2.gz RDZPTMTVXGEQFK-GMEATFMZSA-N 1 0 320.393 1.882 20 5 DDBDRO Cc1ccc(CNC(=O)COC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000828464668 706184673 /nfs/dbraw/zinc/18/46/73/706184673.db2.gz JERSGVSFUGXGLD-UHFFFAOYSA-N 1 0 321.377 1.630 20 5 DDBDRO C[NH+](C)C[C@@H]1CCCN1C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000865126279 706357967 /nfs/dbraw/zinc/35/79/67/706357967.db2.gz SFJNTNLXRADGJW-LBPRGKRZSA-N 1 0 309.341 1.829 20 5 DDBDRO O=[N+]([O-])c1ccc(Cl)cc1CN1[C@H](CO)CC[C@H]1CO ZINC000878883501 706524421 /nfs/dbraw/zinc/52/44/21/706524421.db2.gz XNBMFQLNELDJFL-RYUDHWBXSA-N 1 0 300.742 1.566 20 5 DDBDRO CCCN(CCC[NH+](C)C)C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000830812842 706584540 /nfs/dbraw/zinc/58/45/40/706584540.db2.gz VSAYGIDGTZIPMT-HNNXBMFYSA-N 1 0 323.393 1.819 20 5 DDBDRO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NCC12CCC[NH+]1CCC2 ZINC000834753075 707109990 /nfs/dbraw/zinc/10/99/90/707109990.db2.gz XROYOPSYSWQGTK-UHFFFAOYSA-N 1 0 322.340 1.674 20 5 DDBDRO C[C@@H]([NH2+]C[C@H]1C[C@@H]2COC[C@@H]2O1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000926945161 712921849 /nfs/dbraw/zinc/92/18/49/712921849.db2.gz UYNPOJBDDKJHMG-CGEWXTDFSA-N 1 0 307.350 1.632 20 5 DDBDRO COCC[NH2+]CCc1cn(Cc2cc(F)ccc2[N+](=O)[O-])nn1 ZINC000881225645 707158209 /nfs/dbraw/zinc/15/82/09/707158209.db2.gz GGQXTJFVQRLLHD-UHFFFAOYSA-N 1 0 323.328 1.152 20 5 DDBDRO C[C@@H]1C[C@@H](N2CCOCC2)CN1c1ccnc(F)c1[N+](=O)[O-] ZINC000882351393 707597149 /nfs/dbraw/zinc/59/71/49/707597149.db2.gz RQZXJOFLJBQHOP-GHMZBOCLSA-N 1 0 310.329 1.428 20 5 DDBDRO CNC(=O)c1ccc(N2CC[C@H]3[C@H]2CCC[N@@H+]3C)c([N+](=O)[O-])c1 ZINC000872781606 707597957 /nfs/dbraw/zinc/59/79/57/707597957.db2.gz VZKYNHHMICEPEL-QWHCGFSZSA-N 1 0 318.377 1.627 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CCOC(=O)[C@@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000873360993 707824364 /nfs/dbraw/zinc/82/43/64/707824364.db2.gz QOXJUIKWSRMXKM-GRYCIOLGSA-N 1 0 324.381 1.904 20 5 DDBDRO CC1([NH+]2CCC2)CCN(c2cc(N)c([N+](=O)[O-])c(CO)c2)CC1 ZINC000882963552 707875924 /nfs/dbraw/zinc/87/59/24/707875924.db2.gz CFLJOQINAOASGY-UHFFFAOYSA-N 1 0 320.393 1.734 20 5 DDBDRO O=[N+]([O-])c1ccccc1N1CCN(C[C@@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000883418241 707996809 /nfs/dbraw/zinc/99/68/09/707996809.db2.gz BLSNNHNUQMJAMM-STQMWFEESA-N 1 0 308.357 1.417 20 5 DDBDRO O=[N+]([O-])c1ccc(N[C@@H]2CCN(C[C@@H]3C[C@H](F)C[NH2+]3)C2)nc1 ZINC000883424067 707998205 /nfs/dbraw/zinc/99/82/05/707998205.db2.gz DTBRJWMKRPTHLH-TUAOUCFPSA-N 1 0 309.345 1.176 20 5 DDBDRO CC1(C)C[NH2+]C[C@@H]1C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000884059669 708121658 /nfs/dbraw/zinc/12/16/58/708121658.db2.gz AXMLUEKPQVKXBC-LLVKDONJSA-N 1 0 306.366 1.369 20 5 DDBDRO C[N@H+](CCO)CCNc1ccc(Br)cc1[N+](=O)[O-] ZINC000884823707 708387540 /nfs/dbraw/zinc/38/75/40/708387540.db2.gz ALWIHKMNHGYNIE-UHFFFAOYSA-N 1 0 318.171 1.693 20 5 DDBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N(C)CC[N@H+](C)CCO ZINC000912605532 713045400 /nfs/dbraw/zinc/04/54/00/713045400.db2.gz YTUDVBNAGZEWGA-OUKQBFOZSA-N 1 0 321.377 1.381 20 5 DDBDRO COCC[N@@H+]1CCN(Cc2cccnc2[N+](=O)[O-])C(C)(C)C1 ZINC000886268803 708733461 /nfs/dbraw/zinc/73/34/61/708733461.db2.gz BOAIAYGFRCWNAB-UHFFFAOYSA-N 1 0 308.382 1.532 20 5 DDBDRO C[NH+](C)CCC[C@@H]1CN(Cc2cccnc2[N+](=O)[O-])CCO1 ZINC000886288545 708735958 /nfs/dbraw/zinc/73/59/58/708735958.db2.gz BIVSDOQBPQUKKN-CQSZACIVSA-N 1 0 308.382 1.532 20 5 DDBDRO C[C@](CO)([NH2+]C[C@H]1C[C@@]12CCOC2)c1cccc([N+](=O)[O-])c1 ZINC000886307016 708739382 /nfs/dbraw/zinc/73/93/82/708739382.db2.gz HZBYSUPPZUVXOC-FVQBIDKESA-N 1 0 306.362 1.819 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)[C@@H]2CCC[C@H]2O)c1 ZINC000886481906 708767709 /nfs/dbraw/zinc/76/77/09/708767709.db2.gz MECKWCDKLQTNBN-ZIAGYGMSSA-N 1 0 308.334 1.727 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@@](CO)(C(F)(F)F)C1 ZINC000886813630 708851105 /nfs/dbraw/zinc/85/11/05/708851105.db2.gz QREWFXOKTHSEIB-LLVKDONJSA-N 1 0 322.287 1.346 20 5 DDBDRO CCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@H]1CC[NH2+]C1 ZINC000886858422 708867045 /nfs/dbraw/zinc/86/70/45/708867045.db2.gz ZYJGEMYNKWOEEH-LBPRGKRZSA-N 1 0 322.365 1.226 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@H]([NH+](C)C)C12CCC2 ZINC000898848052 708888501 /nfs/dbraw/zinc/88/85/01/708888501.db2.gz IWCPDLQWPMBZAE-KGLIPLIRSA-N 1 0 318.377 1.901 20 5 DDBDRO Cc1noc(CN2CCN(c3cc[nH+]cc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000887135148 708968850 /nfs/dbraw/zinc/96/88/50/708968850.db2.gz WZUYIXZBHMPDHW-LLVKDONJSA-N 1 0 317.349 1.997 20 5 DDBDRO C[N@@H+]1C[C@@H]2CN(C(=O)COc3ccccc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000887939124 709173493 /nfs/dbraw/zinc/17/34/93/709173493.db2.gz PLBDPBKPWHZOGW-WBMJQRKESA-N 1 0 319.361 1.384 20 5 DDBDRO CC[N@@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)[C@@H](C)C1 ZINC000910280394 709862690 /nfs/dbraw/zinc/86/26/90/709862690.db2.gz QYAJVGDLARNIFZ-JTQLQIEISA-N 1 0 324.356 1.872 20 5 DDBDRO CC[N@@H+]1CCCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000910285165 709866082 /nfs/dbraw/zinc/86/60/82/709866082.db2.gz RAXXGUCSOSSIEO-GFCCVEGCSA-N 1 0 323.397 1.469 20 5 DDBDRO Cn1c2ccccc2c(NC[C@H]2CC[N@H+](C)C2)c([N+](=O)[O-])c1=O ZINC000892319590 710416128 /nfs/dbraw/zinc/41/61/28/710416128.db2.gz MNCIJCGEFCJRDV-LLVKDONJSA-N 1 0 316.361 1.810 20 5 DDBDRO Cc1ccc(CNC(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1[N+](=O)[O-] ZINC000892536671 710453946 /nfs/dbraw/zinc/45/39/46/710453946.db2.gz IDYOZKRXRDBCMR-KBPBESRZSA-N 1 0 318.377 1.797 20 5 DDBDRO Cc1ccc(CNC(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)cc1[N+](=O)[O-] ZINC000892536897 710454054 /nfs/dbraw/zinc/45/40/54/710454054.db2.gz LNBVIMMBHQQOJP-XJKSGUPXSA-N 1 0 318.377 1.654 20 5 DDBDRO C[C@@H]1[C@@H](NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CC[N@@H+]1C ZINC000928450127 713202070 /nfs/dbraw/zinc/20/20/70/713202070.db2.gz SHNDEZSYVZZIEP-SKDRFNHKSA-N 1 0 321.333 1.188 20 5 DDBDRO Cn1ccnc1[C@H](NCC1([NH3+])CC1)c1cccc([N+](=O)[O-])c1 ZINC000902407624 710744080 /nfs/dbraw/zinc/74/40/80/710744080.db2.gz SGSQQMHPRLISOU-CYBMUJFWSA-N 1 0 301.350 1.499 20 5 DDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)n1 ZINC000902469015 710763815 /nfs/dbraw/zinc/76/38/15/710763815.db2.gz NOAIUIDKPKGYHQ-RYMFRWLXSA-N 1 0 305.382 1.758 20 5 DDBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902473026 710764634 /nfs/dbraw/zinc/76/46/34/710764634.db2.gz OPCMLNLHQFCBLC-MMMKDXCPSA-N 1 0 318.377 1.794 20 5 DDBDRO CNC(=O)c1ccc(N2CC[C@@H]3C[N@H+](C)C[C@H]32)c([N+](=O)[O-])c1 ZINC000893941488 710893777 /nfs/dbraw/zinc/89/37/77/710893777.db2.gz SDWBHYGDQJPRLP-BXUZGUMPSA-N 1 0 304.350 1.095 20 5 DDBDRO Cn1cnc(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000903350360 711100739 /nfs/dbraw/zinc/10/07/39/711100739.db2.gz AZQZNXUDPDRTJD-QWHCGFSZSA-N 1 0 304.354 1.798 20 5 DDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000894803454 711276752 /nfs/dbraw/zinc/27/67/52/711276752.db2.gz YXBQDSBACCSYMK-GJZGRUSLSA-N 1 0 307.398 1.898 20 5 DDBDRO O=C(CCN1CCC[C@]12CC[NH2+]C2)Nc1ccc([N+](=O)[O-])cc1 ZINC000903865872 711308485 /nfs/dbraw/zinc/30/84/85/711308485.db2.gz SERBOQRECVYGJV-MRXNPFEDSA-N 1 0 318.377 1.751 20 5 DDBDRO C[N@@H+]1CC[C@H]2CN(c3ccc4nonc4c3[N+](=O)[O-])CC[C@@H]21 ZINC000895021674 711372691 /nfs/dbraw/zinc/37/26/91/711372691.db2.gz HUOXPPDSBAEUGC-ONGXEEELSA-N 1 0 303.322 1.661 20 5 DDBDRO CCC[C@@H]1CN(c2ncc(C(=O)OC)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000895057189 711390990 /nfs/dbraw/zinc/39/09/90/711390990.db2.gz FFXNDJLMELTPMB-LLVKDONJSA-N 1 0 308.338 1.355 20 5 DDBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)NC12CC[NH+](CC1)C2 ZINC000913625041 713271151 /nfs/dbraw/zinc/27/11/51/713271151.db2.gz XLOSFHXDHSIFJA-UHFFFAOYSA-N 1 0 307.375 1.651 20 5 DDBDRO Nc1c(F)c(NC[C@H]2CC[N@@H+]2C2CCOCC2)ccc1[N+](=O)[O-] ZINC000896521168 711737504 /nfs/dbraw/zinc/73/75/04/711737504.db2.gz HKUQGGUCPYRLGD-LLVKDONJSA-N 1 0 324.356 1.981 20 5 DDBDRO Nc1ccc([N+](=O)[O-])c(NC[C@H]2CC[N@@H+]2C2CCOCC2)c1 ZINC000896524901 711738259 /nfs/dbraw/zinc/73/82/59/711738259.db2.gz XPDYWZYCPMKSCQ-CYBMUJFWSA-N 1 0 306.366 1.842 20 5 DDBDRO C[NH+](C)CC1(O)CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000913683143 713280480 /nfs/dbraw/zinc/28/04/80/713280480.db2.gz PCZRXLPXPHLPJX-UHFFFAOYSA-N 1 0 313.379 1.185 20 5 DDBDRO CCc1nc(CN2CCC(C[NH2+]CC[N+](=O)[O-])CC2)cs1 ZINC000905103192 711937093 /nfs/dbraw/zinc/93/70/93/711937093.db2.gz JUUJZPCXUQDRAS-UHFFFAOYSA-N 1 0 312.439 1.784 20 5 DDBDRO C[C@@H]1C[C@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCS1 ZINC000905611917 712094978 /nfs/dbraw/zinc/09/49/78/712094978.db2.gz ZLXYNHZZSFCLCX-FOGDFJRCSA-N 1 0 300.384 1.026 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CC[C@@H]2CCC(F)(F)C2)c1 ZINC000905675778 712114587 /nfs/dbraw/zinc/11/45/87/712114587.db2.gz RAKRVODCYXSYBC-JQWIXIFHSA-N 1 0 318.324 1.567 20 5 DDBDRO CC[C@@H](CO)[NH2+]CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000916570526 713458355 /nfs/dbraw/zinc/45/83/55/713458355.db2.gz IKRUVSCMDMBRLH-VIFPVBQESA-N 1 0 301.730 1.547 20 5 DDBDRO C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1[NH2+]CC[N+](=O)[O-] ZINC000930477341 713844360 /nfs/dbraw/zinc/84/43/60/713844360.db2.gz PGVIPXRROCIAPY-IJLUTSLNSA-N 1 0 301.387 1.887 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CCN1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000931319158 714065686 /nfs/dbraw/zinc/06/56/86/714065686.db2.gz XEGMCOKIHKETRR-HUUCEWRRSA-N 1 0 307.398 1.373 20 5 DDBDRO COC1(OC)CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000931641300 714147420 /nfs/dbraw/zinc/14/74/20/714147420.db2.gz XQAVKUUQJPCFJT-AWEZNQCLSA-N 1 0 310.350 1.193 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC3(CC[NH2+]3)CC2)c1 ZINC000923382084 714335655 /nfs/dbraw/zinc/33/56/55/714335655.db2.gz QPTVWANHKJSIGH-CQSZACIVSA-N 1 0 321.377 1.162 20 5 DDBDRO CCN(C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000923423538 714351397 /nfs/dbraw/zinc/35/13/97/714351397.db2.gz BREDDTXGIYARMU-CHWSQXEVSA-N 1 0 309.366 1.018 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1[C@H](C)C[NH2+][C@@H](C)[C@@H]1C ZINC000923442169 714356906 /nfs/dbraw/zinc/35/69/06/714356906.db2.gz NINHJKPPAXLQAK-AGIUHOORSA-N 1 0 320.393 1.912 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)CN2CC[C@@]3(C2)CCCC[NH2+]3)c1 ZINC000923531115 714392778 /nfs/dbraw/zinc/39/27/78/714392778.db2.gz PEUSBIICCFIRIQ-HZPDHXFCSA-N 1 0 305.378 1.846 20 5 DDBDRO [NH3+]CC[C@H]1Cc2ccccc2N(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000923545252 714396214 /nfs/dbraw/zinc/39/62/14/714396214.db2.gz OEUOLTMXZIMGJQ-ZDUSSCGKSA-N 1 0 315.377 1.819 20 5 DDBDRO CC(C)(CCc1noc([C@H]2C[N@@H+]3CCC[C@@H]3CO2)n1)[N+](=O)[O-] ZINC000924079305 714521672 /nfs/dbraw/zinc/52/16/72/714521672.db2.gz UPRLWAYAHFVBOW-GHMZBOCLSA-N 1 0 310.354 1.593 20 5 DDBDRO C[C@H](Cc1cccnc1)[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000934232417 714771795 /nfs/dbraw/zinc/77/17/95/714771795.db2.gz FIMAKTBNKDDOAR-GFCCVEGCSA-N 1 0 302.334 1.372 20 5 DDBDRO [NH3+][C@]12C[C@H]1CN(C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1)C2 ZINC001164419028 718886691 /nfs/dbraw/zinc/88/66/91/718886691.db2.gz PHOCKOSYFDHVAI-WKEGUHRASA-N 1 0 304.684 1.726 20 5 DDBDRO C[N@@H+]1CCO[C@@H]2CN(c3nccc4cc([N+](=O)[O-])ccc43)C[C@@H]21 ZINC000413474585 719482533 /nfs/dbraw/zinc/48/25/33/719482533.db2.gz XDWXIXXHPVIZHH-LSDHHAIUSA-N 1 0 314.345 1.662 20 5 DDBDRO COc1nc(C)c([N+](=O)[O-])c(N(C)CC2CC[NH+](C)CC2)n1 ZINC001165041414 721934118 /nfs/dbraw/zinc/93/41/18/721934118.db2.gz VLMJUZBGZYZVKH-UHFFFAOYSA-N 1 0 309.370 1.480 20 5 DDBDRO Cc1nc(Cl)nc(-n2ccnc2[C@@H]2CCC[NH2+]C2)c1[N+](=O)[O-] ZINC001167055460 732355045 /nfs/dbraw/zinc/35/50/45/732355045.db2.gz JDXWNFGCDCFPRC-SECBINFHSA-N 1 0 322.756 1.999 20 5 DDBDRO CCCCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001121087462 782351258 /nfs/dbraw/zinc/35/12/58/782351258.db2.gz JPMFWXUMEVFQQK-QAALLOGESA-N 1 0 309.410 1.859 20 5 DDBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)c1ccn[nH]1 ZINC001021854673 733617517 /nfs/dbraw/zinc/61/75/17/733617517.db2.gz MWYNKTJPRVEDNU-TXEJJXNPSA-N 1 0 315.333 1.369 20 5 DDBDRO Cc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cc1 ZINC001022061908 734367935 /nfs/dbraw/zinc/36/79/35/734367935.db2.gz ZIVPQDLASROERU-LXTVHRRPSA-N 1 0 303.362 1.397 20 5 DDBDRO N=C(Nc1nc(C2CC2)nc(Cl)c1[N+](=O)[O-])SCC[NH3+] ZINC001167909319 739302165 /nfs/dbraw/zinc/30/21/65/739302165.db2.gz GAMUYOHIYUYAEX-UHFFFAOYSA-N 1 0 316.774 1.954 20 5 DDBDRO CC(C)(F)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC001025648537 736808502 /nfs/dbraw/zinc/80/85/02/736808502.db2.gz PETORJWQEWAYSG-WDNDVIMCSA-N 1 0 321.352 1.889 20 5 DDBDRO O=C(N[C@@H]1[C@H]2C[N@H+](CCCC3CCC3)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025778557 736850385 /nfs/dbraw/zinc/85/03/85/736850385.db2.gz UUWUYTSLQKCYLA-QMIVOQANSA-N 1 0 307.394 1.278 20 5 DDBDRO CCOc1cc(N[C@H](CCC[NH3+])C(=O)OC)ccc1[N+](=O)[O-] ZINC001167901524 739236087 /nfs/dbraw/zinc/23/60/87/739236087.db2.gz SUNKDRMIDFPTLT-LLVKDONJSA-N 1 0 311.338 1.686 20 5 DDBDRO O=C(C[NH+]1CCCC1)N[C@H]1C[C@H](Nc2ccccc2[N+](=O)[O-])C1 ZINC001059233484 740437815 /nfs/dbraw/zinc/43/78/15/740437815.db2.gz KPFHIOJSQBSXGC-JOCQHMNTSA-N 1 0 318.377 1.750 20 5 DDBDRO Cc1ccnc(NC2(CNC(=O)CC[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC001110325347 743768932 /nfs/dbraw/zinc/76/89/32/743768932.db2.gz JVKISSHXIRUSTC-UHFFFAOYSA-N 1 0 321.381 1.311 20 5 DDBDRO C[NH+](C)CCC(=O)NCC1(Nc2ccccc2[N+](=O)[O-])CC1 ZINC001110325426 743772828 /nfs/dbraw/zinc/77/28/28/743772828.db2.gz OZQMRYLQMGWEIF-UHFFFAOYSA-N 1 0 306.366 1.607 20 5 DDBDRO [NH3+]C1(CO)CCN(c2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC001185638827 744261091 /nfs/dbraw/zinc/26/10/91/744261091.db2.gz FQGNHQNFNCPVLW-UHFFFAOYSA-N 1 0 302.334 1.433 20 5 DDBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2[nH]nc([N+](=O)[O-])c2Cl)C1 ZINC001137108603 749325845 /nfs/dbraw/zinc/32/58/45/749325845.db2.gz HBPAKIDDWGQSHO-MRVPVSSYSA-N 1 0 315.761 1.528 20 5 DDBDRO CN1Cc2cc(-n3cc4c(n3)CC[C@@H]([NH3+])C4)cc([N+](=O)[O-])c2N1 ZINC001168817042 762028391 /nfs/dbraw/zinc/02/83/91/762028391.db2.gz APPOVTWQODMDTD-LLVKDONJSA-N 1 0 314.349 1.369 20 5 DDBDRO CCC1(Nc2cc([N+](=O)[O-])cc(Br)n2)C[NH2+]C1 ZINC001168582874 751136556 /nfs/dbraw/zinc/13/65/56/751136556.db2.gz BCEUIMVZLQNMMN-UHFFFAOYSA-N 1 0 301.144 1.916 20 5 DDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2ncc(Br)cn2)C1 ZINC001168979938 762148327 /nfs/dbraw/zinc/14/83/27/762148327.db2.gz CHVUXHMQJTWHHQ-WPRPVWTQSA-N 1 0 315.171 1.774 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2cn(CC(F)(F)F)cn2)C1 ZINC001168998275 762170003 /nfs/dbraw/zinc/17/00/03/762170003.db2.gz KTHYMDCNTVELMY-NXEZZACHSA-N 1 0 306.288 1.980 20 5 DDBDRO CN1C(=O)COc2ccc(C[NH2+][C@H]3CC[C@H](C[N+](=O)[O-])C3)cc21 ZINC001169002247 762172500 /nfs/dbraw/zinc/17/25/00/762172500.db2.gz JRISJXWIOZIGRJ-STQMWFEESA-N 1 0 319.361 1.577 20 5 DDBDRO NC(=O)c1ccc(OCC[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1 ZINC001168988145 762180623 /nfs/dbraw/zinc/18/06/23/762180623.db2.gz OIKRBFYEXSNUIM-YPMHNXCESA-N 1 0 307.350 1.199 20 5 DDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2C[C@@H](OCC3CC3)[C@H]3COC[C@H]32)C1 ZINC001169030132 762186298 /nfs/dbraw/zinc/18/62/98/762186298.db2.gz WUHQBOWUUZHXRJ-ZVDSWSACSA-N 1 0 310.394 1.558 20 5 DDBDRO CCOC(=O)N1CCC([N@H+](C)[C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169038629 762193636 /nfs/dbraw/zinc/19/36/36/762193636.db2.gz JMBWXFDHYSRBNK-GXTWGEPZSA-N 1 0 313.398 1.985 20 5 DDBDRO COc1cccc(N2CC[NH+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)n1 ZINC001169039539 762193725 /nfs/dbraw/zinc/19/37/25/762193725.db2.gz QXUVXHPGIQXBHM-KBPBESRZSA-N 1 0 320.393 1.658 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])c(NCC[C@H]2CCC[NH2+]2)cc1OC ZINC001169567732 762515163 /nfs/dbraw/zinc/51/51/63/762515163.db2.gz QCSJNOZSNJBWIJ-SNVBAGLBSA-N 1 0 323.349 1.944 20 5 DDBDRO COc1ccc(-n2cc(CC[NH3+])c3ncccc32)nc1[N+](=O)[O-] ZINC001169702426 762610569 /nfs/dbraw/zinc/61/05/69/762610569.db2.gz BTJTWXDWWADDQW-UHFFFAOYSA-N 1 0 313.317 1.839 20 5 DDBDRO [NH3+]Cc1ccc2nnn(-c3ccc4c([N+](=O)[O-])c[nH]c4n3)c2c1 ZINC001170018036 763977520 /nfs/dbraw/zinc/97/75/20/763977520.db2.gz ZIHASYJHTCKSJE-UHFFFAOYSA-N 1 0 309.289 1.664 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N(C)[C@@]2(C)CCC[NH2+]C2)n1 ZINC001156978206 764252108 /nfs/dbraw/zinc/25/21/08/764252108.db2.gz ZLINRKGBDJSGQV-AWEZNQCLSA-N 1 0 308.338 1.355 20 5 DDBDRO COc1ccc(C[C@H](C)[NH2+][C@@H]2CCC(=O)N(C)C2)c([N+](=O)[O-])c1 ZINC001170308794 766259309 /nfs/dbraw/zinc/25/93/09/766259309.db2.gz PCCCETFXJDWKER-WCQYABFASA-N 1 0 321.377 1.745 20 5 DDBDRO Cc1c(CC[NH3+])c(=O)[nH]n1-c1ncnc2sc([N+](=O)[O-])cc21 ZINC001170338414 766271897 /nfs/dbraw/zinc/27/18/97/766271897.db2.gz SUDSDYLBTQZHKS-UHFFFAOYSA-N 1 0 320.334 1.300 20 5 DDBDRO O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1n[nH]cc1F ZINC001133478719 769882124 /nfs/dbraw/zinc/88/21/24/769882124.db2.gz KUJGKNWHCCBWMR-UHFFFAOYSA-N 1 0 313.314 1.038 20 5 DDBDRO Cc1c(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)ccn1C ZINC001133491797 769894300 /nfs/dbraw/zinc/89/43/00/769894300.db2.gz IBYVPZGEABFCSH-UHFFFAOYSA-N 1 0 316.361 1.761 20 5 DDBDRO COc1nc(C)nc(N[C@H]2C[C@H]3CC[N@H+](C2)[C@H]3C)c1[N+](=O)[O-] ZINC001170965545 771970685 /nfs/dbraw/zinc/97/06/85/771970685.db2.gz UAEYCIJAOCILRP-GDPRMGEGSA-N 1 0 307.354 1.596 20 5 DDBDRO COc1ncc([N+](=O)[O-])cc1N1c2ccccc2OC[C@@H]1C[NH3+] ZINC001171400650 774489971 /nfs/dbraw/zinc/48/99/71/774489971.db2.gz NEKISMIDKYBTOO-NSHDSACASA-N 1 0 316.317 1.856 20 5 DDBDRO Cc1ccc(N(C)CCNC(=O)CC[NH+](C)C)c([N+](=O)[O-])c1 ZINC001100299595 775959695 /nfs/dbraw/zinc/95/96/95/775959695.db2.gz ONQSESFAKATAAN-UHFFFAOYSA-N 1 0 308.382 1.407 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(NCCCNC(=O)CC[NH+](C)C)n1 ZINC001094751230 776246936 /nfs/dbraw/zinc/24/69/36/776246936.db2.gz HGMOWUYTMHRBHW-UHFFFAOYSA-N 1 0 309.370 1.168 20 5 DDBDRO O=C1CC[C@H](C[NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CN1 ZINC001172899934 776914705 /nfs/dbraw/zinc/91/47/05/776914705.db2.gz FHXBSCAFAONFDN-DOMZBBRYSA-N 1 0 317.389 1.958 20 5 DDBDRO C=CC(=O)NCC[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172911601 776942823 /nfs/dbraw/zinc/94/28/23/776942823.db2.gz KHRNVSJIDAEISD-CQSZACIVSA-N 1 0 303.362 1.734 20 5 DDBDRO Nc1c(Cl)cc(C(=O)N[C@@]23CC[N@H+](C2)CCC3)cc1[N+](=O)[O-] ZINC001175053148 777676104 /nfs/dbraw/zinc/67/61/04/777676104.db2.gz CRRIIFPEFPCYQF-AWEZNQCLSA-N 1 0 324.768 1.799 20 5 DDBDRO C[NH+](C)CC[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC001177533450 778639913 /nfs/dbraw/zinc/63/99/13/778639913.db2.gz ZFWJKICTIHUKGJ-LLVKDONJSA-N 1 0 306.366 1.591 20 5 DDBDRO Cc1ncc(C[NH2+]CCCCCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])o1 ZINC001178464668 779060884 /nfs/dbraw/zinc/06/08/84/779060884.db2.gz WRCLBKPCZPHWAN-ZIAGYGMSSA-N 1 0 324.381 1.414 20 5 DDBDRO CN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)C(=O)C(C)(C)C ZINC001266662058 836612093 /nfs/dbraw/zinc/61/20/93/836612093.db2.gz JYAFHFWYLUZYQT-UHFFFAOYSA-N 1 0 321.377 1.758 20 5 DDBDRO O=C(N[C@H]1C[C@@H]([NH2+]CCCc2ccsc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001266683246 836661955 /nfs/dbraw/zinc/66/19/55/836661955.db2.gz KVBPRHNIDSAKQA-XJFOESAGSA-N 1 0 323.418 1.583 20 5 DDBDRO CN(CC[NH2+]Cc1c([N+](=O)[O-])ncn1C)C(=O)C1(C)CCC1 ZINC001266803727 836859648 /nfs/dbraw/zinc/85/96/48/836859648.db2.gz PGIUMAIMFUZYBB-UHFFFAOYSA-N 1 0 309.370 1.067 20 5 DDBDRO O=C(NC/C=C\C[NH2+]Cc1ccncc1Cl)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001268540554 840417928 /nfs/dbraw/zinc/41/79/28/840417928.db2.gz DRJMVBTUZBBRAL-IWRMCDHXSA-N 1 0 324.768 1.162 20 5 DDBDRO COC(=O)[C@@H]1CCC[C@H]1[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001326697748 861552049 /nfs/dbraw/zinc/55/20/49/861552049.db2.gz GHZRIBHBYVKNHD-GHMZBOCLSA-N 1 0 321.333 1.465 20 5 DDBDRO C[NH+](C)C[C@@H]1COCCN1c1cc(Cl)cc([N+](=O)[O-])n1 ZINC001154966531 861606839 /nfs/dbraw/zinc/60/68/39/861606839.db2.gz BGSRBBLPRXQMFS-SNVBAGLBSA-N 1 0 300.746 1.410 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC([NH2+]C2CCOCC2)C1 ZINC001155332234 861970952 /nfs/dbraw/zinc/97/09/52/861970952.db2.gz SWWKLJSXCMLSKX-UHFFFAOYSA-N 1 0 319.361 1.496 20 5 DDBDRO COc1cc(C(=O)N2C[C@H]3CC[N@H+](C)[C@H]3C2)c([N+](=O)[O-])cc1F ZINC001273359786 849665765 /nfs/dbraw/zinc/66/57/65/849665765.db2.gz UOHBEDOTMTXWME-RNCFNFMXSA-N 1 0 323.324 1.519 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC001155402290 862045750 /nfs/dbraw/zinc/04/57/50/862045750.db2.gz HKZZRSGFYSONJU-SMDDNHRTSA-N 1 0 306.322 1.473 20 5 DDBDRO O=[N+]([O-])c1cc(Cl)c(Cl)nc1NC[C@@]12C[NH2+][C@@H](CO1)C2 ZINC001155541581 850149377 /nfs/dbraw/zinc/14/93/77/850149377.db2.gz KNBYSOGXRDUEAU-KSBSHMNSSA-N 1 0 319.148 1.839 20 5 DDBDRO O=[N+]([O-])c1cnc(Cl)nc1NCC[C@@H]1CCOC12C[NH2+]C2 ZINC001155471366 862126348 /nfs/dbraw/zinc/12/63/48/862126348.db2.gz QMMJMNDFQLQDHJ-MRVPVSSYSA-N 1 0 313.745 1.219 20 5 DDBDRO O=[N+]([O-])c1cnc(NCC[C@H]2CCOC23C[NH2+]C3)c([N+](=O)[O-])c1 ZINC001155471974 862128009 /nfs/dbraw/zinc/12/80/09/862128009.db2.gz VYCYXNHJHQXCLK-VIFPVBQESA-N 1 0 323.309 1.079 20 5 DDBDRO CC[C@H]1[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CCC[C@]12CCC(=O)N2 ZINC001169021516 850518558 /nfs/dbraw/zinc/51/85/58/850518558.db2.gz LGKQCJPNRMFIDS-NHIYQJMISA-N 1 0 309.410 1.955 20 5 DDBDRO O=[N+]([O-])c1cnc(Cl)cc1NCc1noc2c1C[NH2+]CC2 ZINC001155495435 862157172 /nfs/dbraw/zinc/15/71/72/862157172.db2.gz QGQNEIUHMRMJHM-UHFFFAOYSA-N 1 0 309.713 1.889 20 5 DDBDRO CCC(=O)NC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC001273936513 851527910 /nfs/dbraw/zinc/52/79/10/851527910.db2.gz PGQFWRWHWJMKIS-UHFFFAOYSA-N 1 0 321.377 1.760 20 5 DDBDRO COc1cc(NC[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)ncc1[N+](=O)[O-] ZINC001155601561 862279722 /nfs/dbraw/zinc/27/97/22/862279722.db2.gz ZRMRHIQWLFBUGF-IAQYHMDHSA-N 1 0 322.365 1.569 20 5 DDBDRO O=[N+]([O-])c1cnc(N[C@H]2CCO[C@@]3(CC[NH2+]C3)C2)c(Cl)c1 ZINC001155619107 862299096 /nfs/dbraw/zinc/29/90/96/862299096.db2.gz NRWDTCOSEGSZBF-ZANVPECISA-N 1 0 312.757 1.966 20 5 DDBDRO O=[N+]([O-])c1cc(Cl)c2ncnc(N3C[C@@H]4C[NH2+]C[C@H]4C3)c2c1 ZINC001327617091 862320470 /nfs/dbraw/zinc/32/04/70/862320470.db2.gz QNTUOECBRCAOCR-IUCAKERBSA-N 1 0 319.752 1.847 20 5 DDBDRO O=[N+]([O-])c1c(Cl)cc(Cl)nc1N[C@H]1C[NH2+][C@@H]2CCO[C@@H]21 ZINC001155637567 862324351 /nfs/dbraw/zinc/32/43/51/862324351.db2.gz VNNFBVXYVYWCFL-FWWHASMVSA-N 1 0 319.148 1.838 20 5 DDBDRO O=C(N[C@H]1CC12CC[NH2+]CC2)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001328337708 862911200 /nfs/dbraw/zinc/91/12/00/862911200.db2.gz KAQYJFIXQNZEAY-AWEZNQCLSA-N 1 0 316.361 1.762 20 5 DDBDRO C[N@@H+]1CCCC[C@H]1CNC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC001121918264 858632899 /nfs/dbraw/zinc/63/28/99/858632899.db2.gz DEHUSFDCVPKUFH-AWEZNQCLSA-N 1 0 306.366 1.878 20 5 DDBDRO O=C(NCC1=CC[NH2+]CC1)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001121932318 858638048 /nfs/dbraw/zinc/63/80/48/858638048.db2.gz GZZLVOBUGVTWSI-GJZGRUSLSA-N 1 0 301.346 1.734 20 5 DDBDRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)C2 ZINC001122203591 858712306 /nfs/dbraw/zinc/71/23/06/858712306.db2.gz OXQZDBIKFFZITL-DPAVQSFQSA-N 1 0 315.373 1.766 20 5 DDBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001122301696 858744022 /nfs/dbraw/zinc/74/40/22/858744022.db2.gz LMDSDNXPYZWLTQ-UONOGXRCSA-N 1 0 303.362 1.595 20 5 DDBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccccn1 ZINC001122579317 858896237 /nfs/dbraw/zinc/89/62/37/858896237.db2.gz MCEJSWHWJIIVFR-UHFFFAOYSA-N 1 0 300.318 1.509 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)OC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC001123344659 859186039 /nfs/dbraw/zinc/18/60/39/859186039.db2.gz BXHNBHYSCMIUTG-GFCCVEGCSA-N 1 0 323.349 1.343 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@H]1C[N@H+]2CCN1C[C@@H]2C ZINC001123879898 859452241 /nfs/dbraw/zinc/45/22/41/859452241.db2.gz JVSVCNQCEQGZSZ-SMDDNHRTSA-N 1 0 318.377 1.538 20 5 DDBDRO C[C@@H](NC(=O)[C@H]1C[N@@H+]2CCN1C[C@H]2C)c1ccccc1[N+](=O)[O-] ZINC001123975896 859506792 /nfs/dbraw/zinc/50/67/92/859506792.db2.gz GUSQVLAMRAVGBN-LALPHHSUSA-N 1 0 318.377 1.160 20 5 DDBDRO O=C(NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1cnccn1 ZINC001154260706 860928456 /nfs/dbraw/zinc/92/84/56/860928456.db2.gz LCIWZZVVUNLECK-UHFFFAOYSA-N 1 0 315.333 1.295 20 5 DDBDRO [NH3+]CCc1nccn1-c1cc([N+](=O)[O-])cc2c(Cl)ncnc21 ZINC001156483214 863089410 /nfs/dbraw/zinc/08/94/10/863089410.db2.gz AKROZJYLLZPDIN-UHFFFAOYSA-N 1 0 318.724 1.878 20 5 DDBDRO C[NH2+][C@H](C)CCNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC001329301541 863587098 /nfs/dbraw/zinc/58/70/98/863587098.db2.gz JRZCOIXGLYMJKR-LLVKDONJSA-N 1 0 317.349 1.508 20 5 DDBDRO CSc1nc(Cl)nc(NC(=N)SCC[NH3+])c1[N+](=O)[O-] ZINC001157129532 863599058 /nfs/dbraw/zinc/59/90/58/863599058.db2.gz NWHCJDISOBDAKZ-UHFFFAOYSA-N 1 0 322.803 1.799 20 5 DDBDRO CCOC(=O)CN(CCC[NH3+])c1ncc([N+](=O)[O-])cc1Cl ZINC001157544844 863905587 /nfs/dbraw/zinc/90/55/87/863905587.db2.gz SOXKKXPWYPBMCD-UHFFFAOYSA-N 1 0 316.745 1.362 20 5 DDBDRO C[C@@H]1CC[C@@H](NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C[NH2+]1 ZINC001330006688 864013848 /nfs/dbraw/zinc/01/38/48/864013848.db2.gz BKNSELMWIUBGNU-BXUZGUMPSA-N 1 0 318.377 1.803 20 5 DDBDRO Cc1nsc(C)c1C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157767163 864118076 /nfs/dbraw/zinc/11/80/76/864118076.db2.gz IOAOALBFUOFYJZ-ZYHUDNBSSA-N 1 0 312.395 1.021 20 5 DDBDRO COc1cc2ncnc(N3C[C@@H](C)[NH2+][C@@H](C)C3)c2cc1[N+](=O)[O-] ZINC001158177516 864471114 /nfs/dbraw/zinc/47/11/14/864471114.db2.gz UFQSSZBDXFDDNH-AOOOYVTPSA-N 1 0 317.349 1.733 20 5 DDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@H](CO)CC(F)(F)F)C2)c1 ZINC001330619438 864491426 /nfs/dbraw/zinc/49/14/26/864491426.db2.gz OIQVDZIUPBDMHU-MGURRDGZSA-N 1 0 308.260 1.398 20 5 DDBDRO Cc1ccnc(N2CCC(N3CC[C@H]([NH3+])C3)CC2)c1[N+](=O)[O-] ZINC001158258770 864520757 /nfs/dbraw/zinc/52/07/57/864520757.db2.gz ITEVAGZXPNYONF-LBPRGKRZSA-N 1 0 305.382 1.300 20 5 DDBDRO O=[N+]([O-])c1cnc(NCc2ncn3c2C[NH2+]CCC3)c(F)c1 ZINC001158359856 864603949 /nfs/dbraw/zinc/60/39/49/864603949.db2.gz YXHIUXYWBVMWJL-UHFFFAOYSA-N 1 0 306.301 1.431 20 5 DDBDRO Nc1c(Cl)cc(C(=O)NCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000054132781 864776261 /nfs/dbraw/zinc/77/62/61/864776261.db2.gz AHOIHNHCHIIHHF-UHFFFAOYSA-N 1 0 312.757 1.656 20 5 DDBDRO Cc1c(CC[NH3+])c(=O)[n-]n1-c1ccc2c(cccc2[N+](=O)[O-])n1 ZINC001159294218 865208259 /nfs/dbraw/zinc/20/82/59/865208259.db2.gz YWJVJDQXUKQFFG-UHFFFAOYSA-N 1 0 313.317 1.844 20 5 DDBDRO Cc1c(CC[NH3+])c(=O)[nH]n1-c1nc2ccccc2cc1[N+](=O)[O-] ZINC001159300216 865208989 /nfs/dbraw/zinc/20/89/89/865208989.db2.gz WFOKEPUZVFNJTB-UHFFFAOYSA-N 1 0 313.317 1.844 20 5 DDBDRO COc1ccc(CC[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)cn1 ZINC001331762677 865305155 /nfs/dbraw/zinc/30/51/55/865305155.db2.gz PFTKQBAJYCLZRO-OAHLLOKOSA-N 1 0 317.345 1.864 20 5 DDBDRO CC(C)Oc1nc(N[C@H](C)[C@H]2C[NH2+]CCO2)ccc1[N+](=O)[O-] ZINC001159503184 865363523 /nfs/dbraw/zinc/36/35/23/865363523.db2.gz UOATVXOTJJDRHW-ZYHUDNBSSA-N 1 0 310.354 1.566 20 5 DDBDRO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1cc([N+](=O)[O-])c2cc[nH]c2n1 ZINC001159755174 865506274 /nfs/dbraw/zinc/50/62/74/865506274.db2.gz KPOJYQGKQCIBNO-NXEZZACHSA-N 1 0 319.321 1.034 20 5 DDBDRO Nc1cc(N[C@@H]2CC[NH2+]C[C@@H]2C(F)(F)F)ncc1[N+](=O)[O-] ZINC001160738844 866087017 /nfs/dbraw/zinc/08/70/17/866087017.db2.gz KVOWUJQMTTZNLZ-POYBYMJQSA-N 1 0 305.260 1.524 20 5 DDBDRO C[C@@H](NC(=O)COC1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC001333459684 866766348 /nfs/dbraw/zinc/76/63/48/866766348.db2.gz ZWVYMGNJTJGOFM-GFCCVEGCSA-N 1 0 321.377 1.883 20 5 DDBDRO [NH3+]C1(c2cccnc2)CCN(c2ncc(F)cc2[N+](=O)[O-])CC1 ZINC001161584371 866785803 /nfs/dbraw/zinc/78/58/03/866785803.db2.gz VZLHRUZWKYHTRI-UHFFFAOYSA-N 1 0 317.324 1.978 20 5 DDBDRO CCN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)c1cc[nH]n1 ZINC001320682646 866939859 /nfs/dbraw/zinc/93/98/59/866939859.db2.gz JTVJFLFUBSCOMT-UHFFFAOYSA-N 1 0 317.349 1.570 20 5 DDBDRO Cn1cncc1C(=O)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001161913034 867093150 /nfs/dbraw/zinc/09/31/50/867093150.db2.gz ALORSGSDUQMCTM-UHFFFAOYSA-N 1 0 317.349 1.238 20 5 DDBDRO Cc1n[nH]c(C(=O)N2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)c1[N+](=O)[O-] ZINC001333928907 867164598 /nfs/dbraw/zinc/16/45/98/867164598.db2.gz CHOLDMWUMQRXEE-SRVKXCTJSA-N 1 0 321.381 1.429 20 5 DDBDRO C[C@H]1C[NH2+]CCC[C@H]1CNc1ccc([N+](=O)[O-])c(C(N)=O)n1 ZINC001162456418 867547047 /nfs/dbraw/zinc/54/70/47/867547047.db2.gz WQXLVFKSWMTNTR-UWVGGRQHSA-N 1 0 307.354 1.136 20 5 DDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N(CC[NH2+]CCF)CCc1ccccc1 ZINC001162810568 867844348 /nfs/dbraw/zinc/84/43/48/867844348.db2.gz MCMXYTLYYUDBAU-HUUCEWRRSA-N 1 0 323.368 1.282 20 5 DDBDRO O=[N+]([O-])c1cnc2ccc(N[C@H]3COCCC34C[NH2+]C4)cn21 ZINC001163073497 868057011 /nfs/dbraw/zinc/05/70/11/868057011.db2.gz PIPOGXHEGPHIKA-NSHDSACASA-N 1 0 303.322 1.033 20 5 DDBDRO O=[N+]([O-])c1ccc2nc(NC[C@@H]3CO[C@@H]4C[NH2+]C[C@H]34)ccc2c1 ZINC001163095029 868088817 /nfs/dbraw/zinc/08/88/17/868088817.db2.gz VTGHWFJUCNPXMO-UXIGCNINSA-N 1 0 314.345 1.789 20 5 DDBDRO COc1c(F)cc(NC[C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)cc1[N+](=O)[O-] ZINC001163105412 868103457 /nfs/dbraw/zinc/10/34/57/868103457.db2.gz PFNOTDDNJMGALS-ZDSQKVDBSA-N 1 0 311.313 1.389 20 5 DDBDRO CCOc1cc([N+](=O)[O-])ccc1NC[C@@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001163105130 868104121 /nfs/dbraw/zinc/10/41/21/868104121.db2.gz KTACZECVPPMZSV-IXPVHAAZSA-N 1 0 307.350 1.640 20 5 DDBDRO Cc1c(F)cnc(NCc2noc3c2C[NH2+]CC3)c1[N+](=O)[O-] ZINC001163126723 868130710 /nfs/dbraw/zinc/13/07/10/868130710.db2.gz XBJQVQPRBCQUGE-UHFFFAOYSA-N 1 0 307.285 1.683 20 5 DDBDRO O=[N+]([O-])c1cc(NCc2noc3c2C[NH2+]CC3)cn2ccnc12 ZINC001163131680 868138369 /nfs/dbraw/zinc/13/83/69/868138369.db2.gz JRYFXFUEUNBSNJ-UHFFFAOYSA-N 1 0 314.305 1.488 20 5 DDBDRO O=[N+]([O-])c1c[nH]c2nc(NC[C@]34C[NH2+]C[C@H]3COC4)ccc12 ZINC001163147915 868159691 /nfs/dbraw/zinc/15/96/91/868159691.db2.gz SRSXUQHTIPQUTG-XPTSAGLGSA-N 1 0 303.322 1.119 20 5 DDBDRO C[C@H](CC[S@](C)=O)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001335445873 868303207 /nfs/dbraw/zinc/30/32/07/868303207.db2.gz ULJCRIVRAFKPLA-MZJFNTNISA-N 1 0 300.380 1.375 20 5 DDBDRO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC001322681422 868322582 /nfs/dbraw/zinc/32/25/82/868322582.db2.gz WCSHCHZBWHJZOG-LSDHHAIUSA-N 1 0 321.377 1.963 20 5 DDBDRO CNc1cc([N+](=O)[O-])cnc1N[C@@H]1CCO[C@]2(CC[NH2+]C2)C1 ZINC001163310063 868335288 /nfs/dbraw/zinc/33/52/88/868335288.db2.gz JTNTVAQYERDSCA-QMTHXVAHSA-N 1 0 307.354 1.355 20 5 DDBDRO C[C@@H]1CCC[C@H](C)N1c1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001163540495 868519211 /nfs/dbraw/zinc/51/92/11/868519211.db2.gz LPEXIVIRFWKJIF-TXEJJXNPSA-N 1 0 320.397 1.562 20 5 DDBDRO CN(CC(=O)N[C@H]1C[NH+]2CCC1CC2)c1ccccc1[N+](=O)[O-] ZINC001336082833 868720920 /nfs/dbraw/zinc/72/09/20/868720920.db2.gz WMJGQGIXACEEFN-ZDUSSCGKSA-N 1 0 318.377 1.241 20 5 DDBDRO O=C(COc1cccc([N+](=O)[O-])c1)N[C@H]1C[NH+]2CCC1CC2 ZINC001336569732 869023838 /nfs/dbraw/zinc/02/38/38/869023838.db2.gz RNCDNUKHLWMNMV-AWEZNQCLSA-N 1 0 305.334 1.184 20 5 DDBDRO C[C@@]1(C[NH3+])CCCN(c2cc([N+](=O)[O-])cc(Cl)[n+]2[O-])CC1 ZINC001164248555 869057624 /nfs/dbraw/zinc/05/76/24/869057624.db2.gz UUXWRNWEXVTGOR-CYBMUJFWSA-N 1 0 314.773 1.837 20 5 DDBDRO COC(=O)c1ccnc(N2C[C@@H](C[NH3+])CC[C@@H]2C)c1[N+](=O)[O-] ZINC001164466934 869211713 /nfs/dbraw/zinc/21/17/13/869211713.db2.gz CMIHNMQJSHMORH-VHSXEESVSA-N 1 0 308.338 1.340 20 5 DDBDRO [NH3+]CCCN(CC(F)(F)F)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC001336993340 869248544 /nfs/dbraw/zinc/24/85/44/869248544.db2.gz XMFLXGHJNDWJFE-UHFFFAOYSA-N 1 0 319.283 1.877 20 5 DDBDRO CSC1(CNc2cc(N)c([N+](=O)[O-])cn2)CC[NH+](C)CC1 ZINC001337180021 869365454 /nfs/dbraw/zinc/36/54/54/869365454.db2.gz ZAUGBZMQCNGBOA-UHFFFAOYSA-N 1 0 311.411 1.811 20 5 DDBDRO O=[N+]([O-])c1cccc2ccc(N3CC[C@@H]4[NH2+]CCO[C@H]4C3)nc21 ZINC001165271542 869484626 /nfs/dbraw/zinc/48/46/26/869484626.db2.gz ZWRVSSUAJMCHQS-JSGCOSHPSA-N 1 0 314.345 1.710 20 5 DDBDRO O=C(NCCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1n[nH]cc1F ZINC001166120999 869845277 /nfs/dbraw/zinc/84/52/77/869845277.db2.gz NBILQIXRKYXBNE-UHFFFAOYSA-N 1 0 321.312 1.367 20 5 DDBDRO CC(=O)N1CCc2cc(-n3ccnc3CC[NH3+])cc([N+](=O)[O-])c21 ZINC001166382246 869975952 /nfs/dbraw/zinc/97/59/52/869975952.db2.gz CFKKDGKLRVMVNE-UHFFFAOYSA-N 1 0 315.333 1.191 20 5 DDBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001297536503 870091556 /nfs/dbraw/zinc/09/15/56/870091556.db2.gz XAGTXVGCENMSHL-NSHDSACASA-N 1 0 307.354 1.176 20 5 DDBDRO C[C@H](CNC(=O)N[C@@]1(C)CC[NH2+]C1)c1ccccc1[N+](=O)[O-] ZINC001338755177 870152057 /nfs/dbraw/zinc/15/20/57/870152057.db2.gz OSISCGBGWWHVAF-ABAIWWIYSA-N 1 0 306.366 1.750 20 5 DDBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC001339924013 870787918 /nfs/dbraw/zinc/78/79/18/870787918.db2.gz WFJNBRNJLXGMMC-OWCLPIDISA-N 1 0 317.389 1.889 20 5 DDBDRO CCn1c([C@H](C)[N+](=O)[O-])nnc1N1CCC([NH+](CC)CC)CC1 ZINC001340123474 870906676 /nfs/dbraw/zinc/90/66/76/870906676.db2.gz KDFHVJZFXAECKT-LBPRGKRZSA-N 1 0 324.429 1.946 20 5 DDBDRO O=C(NCCNc1ccc([N+](=O)[O-])cc1)C12CCC(CC1)[NH2+]2 ZINC001340550095 871189888 /nfs/dbraw/zinc/18/98/88/871189888.db2.gz VNJFDZURKCHTIN-UHFFFAOYSA-N 1 0 304.350 1.408 20 5 DDBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@@H]2CC[NH2+]C[C@H]2F)n1 ZINC001205219625 871435689 /nfs/dbraw/zinc/43/56/89/871435689.db2.gz SKJUGTHOYRSUQN-HTQZYQBOSA-N 1 0 311.248 1.594 20 5 DDBDRO CC1(C)C[NH2+]C[C@@H]1NC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001341347958 871618091 /nfs/dbraw/zinc/61/80/91/871618091.db2.gz RYPUAJYLINNFAZ-RDBSUJKOSA-N 1 0 303.362 1.813 20 5 DDBDRO C[C@@H]1C[NH2+]C[C@H]1CC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC001341445184 871663503 /nfs/dbraw/zinc/66/35/03/871663503.db2.gz FUXCSQDPZGAOIQ-VXGBXAGGSA-N 1 0 307.350 1.335 20 5 DDBDRO O=C(CCc1cc(F)ccc1[N+](=O)[O-])N1CC[C@@]2(CC[NH2+]C2)C1 ZINC001341649799 871755524 /nfs/dbraw/zinc/75/55/24/871755524.db2.gz QUBHMLKSAZQSIB-MRXNPFEDSA-N 1 0 321.352 1.879 20 5 DDBDRO C[C@H]([NH3+])CONC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC001341968001 871923260 /nfs/dbraw/zinc/92/32/60/871923260.db2.gz QWSDKGCBRUEUNH-LURJTMIESA-N 1 0 318.127 1.366 20 5 DDBDRO O=C(COc1ccccc1[N+](=O)[O-])NC[C@@H]1CCCCC[NH2+]1 ZINC001342207221 872067953 /nfs/dbraw/zinc/06/79/53/872067953.db2.gz XLWPWNIKTHUBHE-LBPRGKRZSA-N 1 0 307.350 1.622 20 5 DDBDRO COc1cccc(C(=O)N2CC[C@H](C[NH3+])[C@@H](C)C2)c1[N+](=O)[O-] ZINC001342646953 872313366 /nfs/dbraw/zinc/31/33/66/872313366.db2.gz WEPSXZULCBIVBK-WDEREUQCSA-N 1 0 307.350 1.660 20 5 DDBDRO C[NH2+]C[C@@H](O)[C@H](C)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC001343188399 872529197 /nfs/dbraw/zinc/52/91/97/872529197.db2.gz PYMCTCNQFWSMDO-SWLSCSKDSA-N 1 0 323.393 1.548 20 5 DDBDRO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)c3n[nH]cc3[N+](=O)[O-])C[C@H]2C1 ZINC001345233543 873316055 /nfs/dbraw/zinc/31/60/55/873316055.db2.gz GYQSDVGYYZCEDF-GMTAPVOTSA-N 1 0 307.354 1.120 20 5 DDBDRO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)c3c[nH]nc3[N+](=O)[O-])C[C@@H]2C1 ZINC001345234929 873316626 /nfs/dbraw/zinc/31/66/26/873316626.db2.gz NCBVAPRPCBBYLJ-OUAUKWLOSA-N 1 0 307.354 1.120 20 5 DDBDRO COCC[N@H+]1[C@H](C)CN(c2ncc([N+](=O)[O-])c(C)n2)C[C@@H]1C ZINC001345740911 873494760 /nfs/dbraw/zinc/49/47/60/873494760.db2.gz BPPPLAPYGMYEAJ-PHIMTYICSA-N 1 0 309.370 1.239 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC[C@](O)(C[NH+](C)C)C1 ZINC001347429350 874138416 /nfs/dbraw/zinc/13/84/16/874138416.db2.gz PHCFTNHKAMETEQ-INIZCTEOSA-N 1 0 321.377 1.350 20 5 DDBDRO Cc1cncc([N+](=O)[O-])c1NC(=O)NC1CC[NH+](C(C)C)CC1 ZINC001216474917 876952803 /nfs/dbraw/zinc/95/28/03/876952803.db2.gz YMADWKZZJUUOGS-UHFFFAOYSA-N 1 0 321.381 1.714 20 5 DDBDRO COC[C@H]1C[NH2+]CCN1C(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001353467775 877352932 /nfs/dbraw/zinc/35/29/32/877352932.db2.gz PWRKZWJGZMVKRD-BXUZGUMPSA-N 1 0 322.365 1.286 20 5 DDBDRO O=[N+]([O-])c1cc([N+](=O)[O-])c(O[C@@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001218284128 877444809 /nfs/dbraw/zinc/44/48/09/877444809.db2.gz USSFGEBFYVBUKC-MRVPVSSYSA-N 1 0 312.238 1.542 20 5 DDBDRO C[C@]1(NC(=O)c2ccc(N)c([N+](=O)[O-])c2)C[NH+]2CCC1CC2 ZINC001300609678 877975563 /nfs/dbraw/zinc/97/55/63/877975563.db2.gz HINWZPUMAWVYJB-HNNXBMFYSA-N 1 0 304.350 1.391 20 5 DDBDRO C[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC001356584227 879113574 /nfs/dbraw/zinc/11/35/74/879113574.db2.gz NDXCLLYAJIYGRM-ZIAGYGMSSA-N 1 0 323.393 1.266 20 5 DDBDRO Cc1ccc([C@@H](C)NC(=O)[C@H]2[C@@H]3CC[NH2+]C[C@@H]32)cc1[N+](=O)[O-] ZINC001357321737 879912911 /nfs/dbraw/zinc/91/29/11/879912911.db2.gz IVQDOVRVJVHFFJ-PBOSXPJTSA-N 1 0 303.362 1.936 20 5 DDBDRO O=C(Cc1ccccc1[N+](=O)[O-])N1CCC2(CC1)C[NH2+]CCO2 ZINC001358307777 880396922 /nfs/dbraw/zinc/39/69/22/880396922.db2.gz VKMUFJVIYLSRBF-UHFFFAOYSA-N 1 0 319.361 1.118 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)OCc1ccc2ccncc2c1 ZINC001223385426 880941155 /nfs/dbraw/zinc/94/11/55/880941155.db2.gz DUHBYCQKESEVTN-MRXNPFEDSA-N 1 0 303.382 1.735 20 5 DDBDRO COC(=O)c1cccc([C@H](C)OC(=O)C[C@@H](O)C[N+](C)(C)C)c1 ZINC001223795182 881103732 /nfs/dbraw/zinc/10/37/32/881103732.db2.gz VBKSAOAPFYIKIL-SWLSCSKDSA-N 1 0 324.397 1.535 20 5 DDBDRO CC(=O)c1cc(C)c(C)cc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001228437528 883498867 /nfs/dbraw/zinc/49/88/67/883498867.db2.gz OPWPBEDFZLACJY-CQSZACIVSA-N 1 0 308.398 1.869 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1[nH]c(=O)cc2c1CCCC2 ZINC001229175215 883859369 /nfs/dbraw/zinc/85/93/69/883859369.db2.gz KVMQTUGRCIYDHD-GFCCVEGCSA-O 1 0 309.386 1.029 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1nccc2c(F)cccc21 ZINC001233722906 887254812 /nfs/dbraw/zinc/25/48/12/887254812.db2.gz UBKRILBTEBEBMV-LLVKDONJSA-N 1 0 307.345 1.737 20 5 DDBDRO COc1cc(C)cc(F)c1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001234229175 887771266 /nfs/dbraw/zinc/77/12/66/887771266.db2.gz KXAUIFINWHAFPS-LLVKDONJSA-N 1 0 300.350 1.505 20 5 DDBDRO CC(C)OCC(=O)NCCC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001235109548 888416270 /nfs/dbraw/zinc/41/62/70/888416270.db2.gz MYZZJQXZXYRVKY-UHFFFAOYSA-N 1 0 323.393 1.958 20 5 DDBDRO C[C@@H]1C[NH2+]CC[C@@H]1c1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001249146241 893842857 /nfs/dbraw/zinc/84/28/57/893842857.db2.gz BFVJFTYWANSDQY-APPZFPTMSA-N 1 0 307.285 1.892 20 5 DDBDRO NC(=[NH2+])c1nccn1C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254466681 896453539 /nfs/dbraw/zinc/45/35/39/896453539.db2.gz LILQIMWRSCSDBD-UHFFFAOYSA-N 1 0 314.349 1.917 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3CC[C@@](F)(CO)C3)CC2)cc1 ZINC001254476366 896455551 /nfs/dbraw/zinc/45/55/51/896455551.db2.gz ONZYRJKUTMTQTC-INIZCTEOSA-N 1 0 323.368 1.970 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]C1CN(CC(F)(F)F)C1)C2 ZINC001254589039 896517396 /nfs/dbraw/zinc/51/73/96/896517396.db2.gz LWIJDIZPZASKCI-LLVKDONJSA-N 1 0 315.295 1.898 20 5 DDBDRO CC1(C(N)=O)CC[NH+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254597264 896525620 /nfs/dbraw/zinc/52/56/20/896525620.db2.gz CJQYRPMTPNENHO-AWEZNQCLSA-N 1 0 303.362 1.649 20 5 DDBDRO CCN(C(=O)CCn1nc(C)c([N+](=O)[O-])c1C)[C@H]1CC[NH2+]C1 ZINC001262047323 899913323 /nfs/dbraw/zinc/91/33/23/899913323.db2.gz NBOMICUYKIQFNL-LBPRGKRZSA-N 1 0 309.370 1.009 20 5 DDBDRO CSC[C@](C)(O)C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001262567374 900250849 /nfs/dbraw/zinc/25/08/49/900250849.db2.gz QNOMJDMKQKPRPR-QWHCGFSZSA-N 1 0 300.380 1.332 20 5 DDBDRO O=C([C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001263106712 900502693 /nfs/dbraw/zinc/50/26/93/900502693.db2.gz CZCAYLVLIXDYPD-MYZSUADSSA-N 1 0 301.346 1.376 20 5 DDBDRO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cc([N+](=O)[O-])ccc3F)[C@@H]2C1 ZINC001263980099 900853245 /nfs/dbraw/zinc/85/32/45/900853245.db2.gz NEVFFFPZJIZKOD-MRCXROJRSA-N 1 0 307.325 1.804 20 5 DDBDRO [NH3+][C@H]1CCC[C@H](CNC(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000449648786 230626143 /nfs/dbraw/zinc/62/61/43/230626143.db2.gz REXDRRRAHKUWDE-RYUDHWBXSA-N 1 0 306.366 1.640 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](C)[C@H]1CO ZINC000248900371 282116629 /nfs/dbraw/zinc/11/66/29/282116629.db2.gz HFPRSXBPTVQTSU-SWLSCSKDSA-N 1 0 321.377 1.935 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC3(CCC(O)CC3)CC2)n1 ZINC000451144186 231018958 /nfs/dbraw/zinc/01/89/58/231018958.db2.gz HHNSITQCMUKLBI-UHFFFAOYSA-N 1 0 308.382 1.808 20 5 DDBDRO [NH3+]C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000087384143 185223427 /nfs/dbraw/zinc/22/34/27/185223427.db2.gz XRZDRJHRVIDZDN-SNVBAGLBSA-N 1 0 319.770 1.264 20 5 DDBDRO O=C(NC[C@H]1CCCC[N@H+]1CCO)c1ccc([N+](=O)[O-])cc1 ZINC000452388732 231373568 /nfs/dbraw/zinc/37/35/68/231373568.db2.gz KGEVGXGFFMILCK-CQSZACIVSA-N 1 0 307.350 1.171 20 5 DDBDRO CC[C@@]1(O)CC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000495209183 529574616 /nfs/dbraw/zinc/57/46/16/529574616.db2.gz APFPIHFKAFOCKW-IUODEOHRSA-N 1 0 310.350 1.181 20 5 DDBDRO C[NH2+]CCCN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000423200313 290655715 /nfs/dbraw/zinc/65/57/15/290655715.db2.gz LTTQQYFLUAEESY-AWEZNQCLSA-N 1 0 303.366 1.617 20 5 DDBDRO CC1(C)CN(CCOc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1CCO ZINC000614920062 362077045 /nfs/dbraw/zinc/07/70/45/362077045.db2.gz CNCQGZJHTRIZGD-UHFFFAOYSA-N 1 0 323.393 1.362 20 5 DDBDRO CC1(C)CN(CCOc2ccccc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000614923393 362079801 /nfs/dbraw/zinc/07/98/01/362079801.db2.gz JGQZUPRZGDTLLZ-UHFFFAOYSA-N 1 0 323.393 1.362 20 5 DDBDRO C[N@@H+](CCc1nccs1)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090589427 185305621 /nfs/dbraw/zinc/30/56/21/185305621.db2.gz SOEINVKLCLMGKD-UHFFFAOYSA-N 1 0 308.363 1.388 20 5 DDBDRO Cc1nn(C)c(C(=O)N(C)C(C)(C)C[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000416111555 282254228 /nfs/dbraw/zinc/25/42/28/282254228.db2.gz VWAGDCHWYUMRKR-UHFFFAOYSA-N 1 0 323.397 1.583 20 5 DDBDRO CC[N@@H+]1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000286619399 219086775 /nfs/dbraw/zinc/08/67/75/219086775.db2.gz SAXOMYHUZFNKBH-LBPRGKRZSA-N 1 0 306.366 1.559 20 5 DDBDRO COC[C@@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000181579287 199321588 /nfs/dbraw/zinc/32/15/88/199321588.db2.gz RZXDPEUMVWNFFJ-DZGCQCFKSA-N 1 0 310.350 1.349 20 5 DDBDRO C[NH+]1CCC(C)(CNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC1 ZINC000330787604 530048117 /nfs/dbraw/zinc/04/81/17/530048117.db2.gz XJDXOODEGCIILH-UHFFFAOYSA-N 1 0 323.397 1.375 20 5 DDBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]CCOCC(F)F)OCCO2 ZINC000615943135 362496921 /nfs/dbraw/zinc/49/69/21/362496921.db2.gz FHIVMVJWISROJC-UHFFFAOYSA-N 1 0 318.276 1.737 20 5 DDBDRO Cc1c(CNC(=O)N[C@@H]2CCC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC000616200569 362584038 /nfs/dbraw/zinc/58/40/38/362584038.db2.gz JANWMVWOLJUKHG-CYBMUJFWSA-N 1 0 306.366 1.797 20 5 DDBDRO C[C@@H]1C[C@@H](NS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000235423410 201917998 /nfs/dbraw/zinc/91/79/98/201917998.db2.gz ULTDWAORVDWRPA-PWSUYJOCSA-N 1 0 313.379 1.155 20 5 DDBDRO Cc1cnn(CC[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000341837835 282492746 /nfs/dbraw/zinc/49/27/46/282492746.db2.gz WLCJLZGYLSBCDU-UHFFFAOYSA-N 1 0 315.377 1.922 20 5 DDBDRO CC1(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC[NH2+]CC1 ZINC000183379474 199584900 /nfs/dbraw/zinc/58/49/00/199584900.db2.gz DQYFSPWFANRQNX-UHFFFAOYSA-N 1 0 310.329 1.436 20 5 DDBDRO C[C@H](CN1CCOCC1)[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000279703198 215074504 /nfs/dbraw/zinc/07/45/04/215074504.db2.gz JHOHREBVFUXREU-CQSZACIVSA-N 1 0 323.393 1.626 20 5 DDBDRO C[C@H]1COCC[C@@H]1[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000277568199 213624002 /nfs/dbraw/zinc/62/40/02/213624002.db2.gz UWPAPSVWFHZQEM-RYUDHWBXSA-N 1 0 307.350 1.938 20 5 DDBDRO Cc1ccc(NC(=O)NC[C@]2(O)CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000358453093 299157047 /nfs/dbraw/zinc/15/70/47/299157047.db2.gz IDXRTJAKTNIADS-CQSZACIVSA-N 1 0 308.338 1.091 20 5 DDBDRO C[C@H]1[NH2+]CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000262885722 186319188 /nfs/dbraw/zinc/31/91/88/186319188.db2.gz WLDMWPAYTZXIRS-NEPJUHHUSA-N 1 0 307.350 1.573 20 5 DDBDRO NC(=O)c1ccc(NCC[NH+]2CCCCCC2)c([N+](=O)[O-])c1 ZINC000025570795 352198744 /nfs/dbraw/zinc/19/87/44/352198744.db2.gz HOABLCJPBZLUKI-UHFFFAOYSA-N 1 0 306.366 1.982 20 5 DDBDRO Cc1nn(C)c(C(=O)Nc2cccc3c2CC[NH2+]C3)c1[N+](=O)[O-] ZINC000564941447 304027974 /nfs/dbraw/zinc/02/79/74/304027974.db2.gz XLBNIOQUJBTXMZ-UHFFFAOYSA-N 1 0 315.333 1.535 20 5 DDBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000064312137 352932738 /nfs/dbraw/zinc/93/27/38/352932738.db2.gz VKEZKUZPFPNOCX-OLZOCXBDSA-N 1 0 323.397 1.418 20 5 DDBDRO C[C@H]([NH2+]CCC(=O)N1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000173383951 198208089 /nfs/dbraw/zinc/20/80/89/198208089.db2.gz RZSJIAYAFQMHBA-ZDUSSCGKSA-N 1 0 320.393 1.410 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)NCC[N@@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000066924561 353025983 /nfs/dbraw/zinc/02/59/83/353025983.db2.gz NDEIPYGBIWPYKC-UHFFFAOYSA-N 1 0 322.321 1.635 20 5 DDBDRO C[C@H](CC[NH+](C)C)NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000067191575 353038050 /nfs/dbraw/zinc/03/80/50/353038050.db2.gz HPZHSULEIXZOKQ-SNVBAGLBSA-N 1 0 323.349 1.436 20 5 DDBDRO CC[NH+]1CCC(CNC(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000067233595 353039754 /nfs/dbraw/zinc/03/97/54/353039754.db2.gz YMMPUYRBLRRDMO-UHFFFAOYSA-N 1 0 321.377 1.822 20 5 DDBDRO C[C@H](CC[NH+](C)C)NC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000068594448 353122088 /nfs/dbraw/zinc/12/20/88/353122088.db2.gz FQQWMGDOJXBGCJ-GFCCVEGCSA-N 1 0 323.397 1.646 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCC2([NH+](C)C)CCOCC2)c1 ZINC000173757077 198248003 /nfs/dbraw/zinc/24/80/03/198248003.db2.gz YIOAWKWANXNOMV-UHFFFAOYSA-N 1 0 321.377 1.744 20 5 DDBDRO COc1c(C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)cccc1[N+](=O)[O-] ZINC000332012027 234385627 /nfs/dbraw/zinc/38/56/27/234385627.db2.gz SGHRPCRYVRAJPQ-FZMZJTMJSA-N 1 0 319.361 1.770 20 5 DDBDRO Nc1nc(N2CC[C@H](C[NH+]3CCCCC3)C2)ncc1[N+](=O)[O-] ZINC000078425145 353515759 /nfs/dbraw/zinc/51/57/59/353515759.db2.gz RJSVYQQAYBUJLT-LLVKDONJSA-N 1 0 306.370 1.279 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)[C@H]1CCC[C@@H]1O ZINC000080441109 353608434 /nfs/dbraw/zinc/60/84/34/353608434.db2.gz VFZYMSKBJSTRFK-KBPBESRZSA-N 1 0 307.350 1.687 20 5 DDBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2[nH]nc(C)c2[N+](=O)[O-])C1 ZINC000081363240 353666848 /nfs/dbraw/zinc/66/68/48/353666848.db2.gz RASBCSCPTOVDFO-LLVKDONJSA-N 1 0 309.370 1.430 20 5 DDBDRO COC(=O)CC[N@@H+]1CCN(c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000089265855 353763586 /nfs/dbraw/zinc/76/35/86/353763586.db2.gz YSTWVCRNPNFFMB-GFCCVEGCSA-N 1 0 307.350 1.668 20 5 DDBDRO COc1cc(N2CC[NH+](C3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000114011633 353978720 /nfs/dbraw/zinc/97/87/20/353978720.db2.gz CGFHRYWVONRPRW-UHFFFAOYSA-N 1 0 321.377 1.904 20 5 DDBDRO CS(=O)(=O)c1cccc(NCC2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC000138071652 354120284 /nfs/dbraw/zinc/12/02/84/354120284.db2.gz TZIRAFCYQDBYOP-UHFFFAOYSA-N 1 0 313.379 1.410 20 5 DDBDRO CCSCC[C@H](C)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000160128380 354236934 /nfs/dbraw/zinc/23/69/34/354236934.db2.gz UAKOYUMNECOVND-JQWIXIFHSA-N 1 0 302.400 1.274 20 5 DDBDRO CC[NH+]1CCC(CNc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000314955673 354489441 /nfs/dbraw/zinc/48/94/41/354489441.db2.gz NSRXDZYHXFWQKB-UHFFFAOYSA-N 1 0 306.366 1.838 20 5 DDBDRO C[C@@H](CC[NH+](C)C)Nc1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C ZINC000587535506 354883216 /nfs/dbraw/zinc/88/32/16/354883216.db2.gz YXXKLWUVYNKDKI-JTQLQIEISA-N 1 0 321.381 1.537 20 5 DDBDRO CC(C)[NH+]1CCC(N(C)c2cc(N)c([N+](=O)[O-])c(CO)c2)CC1 ZINC000587105419 354881040 /nfs/dbraw/zinc/88/10/40/354881040.db2.gz LPQDBSRKFAUGBK-UHFFFAOYSA-N 1 0 322.409 1.978 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)C[C@@H]2CCC[C@@H]2O)c1 ZINC000589501233 354996960 /nfs/dbraw/zinc/99/69/60/354996960.db2.gz GMMBCECPNNLSRF-WFASDCNBSA-N 1 0 322.361 1.974 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@H]2C[C@@H](O)C2(C)C)c1 ZINC000589515094 354998527 /nfs/dbraw/zinc/99/85/27/354998527.db2.gz XYBNAKWQFUGQQE-QWHCGFSZSA-N 1 0 308.334 1.630 20 5 DDBDRO CN1C[C@H]2CC[N@H+](CCCOc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000590011978 355040190 /nfs/dbraw/zinc/04/01/90/355040190.db2.gz NSJXUWKXIVKKHC-CZUORRHYSA-N 1 0 305.378 2.000 20 5 DDBDRO O=[N+]([O-])c1ccc2[nH]c(=N[C@H]3CC[N@H+](CC4CC4)C3)[nH]c2c1 ZINC000590689626 355148546 /nfs/dbraw/zinc/14/85/46/355148546.db2.gz IXDHXCACWLSAME-NSHDSACASA-N 1 0 301.350 1.789 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000332614368 235199705 /nfs/dbraw/zinc/19/97/05/235199705.db2.gz GQMCMWUJLJLGAZ-NEPJUHHUSA-N 1 0 304.350 1.976 20 5 DDBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000591360500 355301049 /nfs/dbraw/zinc/30/10/49/355301049.db2.gz CBTRKSBKTFFNQR-AWEZNQCLSA-N 1 0 320.393 1.921 20 5 DDBDRO CNC(=O)c1ccc(N2CC[C@H]3CC[NH2+][C@@H]3C2)c([N+](=O)[O-])c1 ZINC000591439389 355311118 /nfs/dbraw/zinc/31/11/18/355311118.db2.gz UKHKIEMTNXIRPB-ZYHUDNBSSA-N 1 0 304.350 1.143 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)n1 ZINC000591651816 355353578 /nfs/dbraw/zinc/35/35/78/355353578.db2.gz XNKXLGVSHBKHAP-LLVKDONJSA-N 1 0 321.381 1.415 20 5 DDBDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000591682031 355361236 /nfs/dbraw/zinc/36/12/36/355361236.db2.gz MXXCHPXCOOSIIL-IUCAKERBSA-N 1 0 307.306 1.133 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000565150490 304046202 /nfs/dbraw/zinc/04/62/02/304046202.db2.gz KEVKKXRHSPCNFV-UHFFFAOYSA-N 1 0 321.381 1.220 20 5 DDBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000592215192 355541915 /nfs/dbraw/zinc/54/19/15/355541915.db2.gz ZEUPPGHNSULBCB-MNOVXSKESA-N 1 0 310.354 1.399 20 5 DDBDRO Cc1n[nH]c(C(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC000592256113 355548444 /nfs/dbraw/zinc/54/84/44/355548444.db2.gz ZJMFTGMECAGLEG-GHMZBOCLSA-N 1 0 307.354 1.088 20 5 DDBDRO COC(=O)c1cc(C(=O)N2CC[C@H]([NH3+])[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000592296644 355554091 /nfs/dbraw/zinc/55/40/91/355554091.db2.gz FGNRGZSDXZIGAH-RNCFNFMXSA-N 1 0 321.333 1.191 20 5 DDBDRO COC(=O)[C@@H]1C[NH2+]CCCN1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000592434662 355583653 /nfs/dbraw/zinc/58/36/53/355583653.db2.gz LSZXHHJRUAVVLR-AWEZNQCLSA-N 1 0 307.350 1.240 20 5 DDBDRO CC(C)[C@H]1CN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000592484499 355595227 /nfs/dbraw/zinc/59/52/27/355595227.db2.gz DDOLMXFITCFSTA-OAHLLOKOSA-N 1 0 320.393 1.487 20 5 DDBDRO CC(C)[C@H]1CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000592484565 355595313 /nfs/dbraw/zinc/59/53/13/355595313.db2.gz DODINEMYUTVLRK-CYBMUJFWSA-N 1 0 306.366 1.124 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[NH2+][C@@H](C(C)C)C1 ZINC000592485255 355595954 /nfs/dbraw/zinc/59/59/54/355595954.db2.gz UKVRQTWIDUIZIH-OAHLLOKOSA-N 1 0 320.393 1.772 20 5 DDBDRO CC1([NH3+])CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000592379510 355570231 /nfs/dbraw/zinc/57/02/31/355570231.db2.gz PZIXAIFYEWURCP-UHFFFAOYSA-N 1 0 305.381 1.158 20 5 DDBDRO C[NH2+][C@@H]1CCCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000592425110 355579500 /nfs/dbraw/zinc/57/95/00/355579500.db2.gz UQWWEDZZZCKCOO-GFCCVEGCSA-N 1 0 307.350 1.550 20 5 DDBDRO CC1([NH3+])CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000592543804 355622476 /nfs/dbraw/zinc/62/24/76/355622476.db2.gz MHCWYPGDOFVRJU-UHFFFAOYSA-N 1 0 307.350 1.704 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000592544681 355623151 /nfs/dbraw/zinc/62/31/51/355623151.db2.gz HADXXBMJBAOKHV-RYUDHWBXSA-N 1 0 319.361 1.818 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000592567924 355631898 /nfs/dbraw/zinc/63/18/98/355631898.db2.gz FKTGPQFUUDDLLQ-LLVKDONJSA-N 1 0 304.350 1.703 20 5 DDBDRO COc1cc(C(=O)NCCC[NH2+]C2CC2)cc([N+](=O)[O-])c1OC ZINC000592571176 355633361 /nfs/dbraw/zinc/63/33/61/355633361.db2.gz URHRMSPPDWQSLG-UHFFFAOYSA-N 1 0 323.349 1.484 20 5 DDBDRO C[C@@H]1[C@H](C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)CC[N@@H+]1C ZINC000592792824 355693450 /nfs/dbraw/zinc/69/34/50/355693450.db2.gz AIWMWAWXFYLQQH-IAQYHMDHSA-N 1 0 319.361 1.525 20 5 DDBDRO C[NH+]1CCC2(CC1)CN(C(=O)c1ccccc1[N+](=O)[O-])CCO2 ZINC000592898912 355734163 /nfs/dbraw/zinc/73/41/63/355734163.db2.gz NGWAFUPVGKDAGQ-UHFFFAOYSA-N 1 0 319.361 1.532 20 5 DDBDRO Cc1cncc(CC[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)n1 ZINC000593027179 355773402 /nfs/dbraw/zinc/77/34/02/355773402.db2.gz ODHQAFJCFHVPNH-UHFFFAOYSA-N 1 0 316.365 1.769 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1[C@H](C)C[N@H+](C)[C@@H](C)[C@@H]1C ZINC000593188885 355821164 /nfs/dbraw/zinc/82/11/64/355821164.db2.gz RPHPUJJZCQSUDQ-VWYCJHECSA-N 1 0 309.370 1.039 20 5 DDBDRO CCO[C@@H]1CN(C(=O)NCc2cccc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000593704558 355972208 /nfs/dbraw/zinc/97/22/08/355972208.db2.gz NKTXXTXSSMLABC-TZMCWYRMSA-N 1 0 322.365 1.100 20 5 DDBDRO O=C(NCCNc1ccc([N+](=O)[O-])cc1)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000593902268 356048705 /nfs/dbraw/zinc/04/87/05/356048705.db2.gz RQHIFBLLXOJWAP-HUUCEWRRSA-N 1 0 318.377 1.654 20 5 DDBDRO [NH3+]CC1(CCNC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CC1 ZINC000593915376 356058148 /nfs/dbraw/zinc/05/81/48/356058148.db2.gz WFNIQVNRPPAPIT-UHFFFAOYSA-N 1 0 321.333 1.225 20 5 DDBDRO C[C@H](O)C[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000594055361 356101245 /nfs/dbraw/zinc/10/12/45/356101245.db2.gz KZDXKESHWMJTCX-SMDDNHRTSA-N 1 0 310.350 1.180 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000601328854 358500703 /nfs/dbraw/zinc/50/07/03/358500703.db2.gz AVBCVFZUZBOQGU-BETUJISGSA-N 1 0 318.377 1.668 20 5 DDBDRO COc1cccc([N+](=O)[O-])c1N1CCN(C(C)(C)CO)CC1 ZINC000594555519 356249922 /nfs/dbraw/zinc/24/99/22/356249922.db2.gz IBCQUZWPUAAKCA-UHFFFAOYSA-N 1 0 309.366 1.496 20 5 DDBDRO C[C@@H]([NH2+]C[C@]1(OCCO)CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000595078207 356379320 /nfs/dbraw/zinc/37/93/20/356379320.db2.gz MVYXKAKWNRVNLJ-IUODEOHRSA-N 1 0 310.350 1.413 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC2CC1(C[NH3+])C2 ZINC000595264200 356425306 /nfs/dbraw/zinc/42/53/06/356425306.db2.gz MTEKLOYSRPAWLO-UHFFFAOYSA-N 1 0 320.349 1.236 20 5 DDBDRO CC(C)(NC(=O)NCC12CC(C1)C[NH2+]2)c1ccc([N+](=O)[O-])cc1 ZINC000595274671 356428826 /nfs/dbraw/zinc/42/88/26/356428826.db2.gz ZLXJLEZCCFAULS-UHFFFAOYSA-N 1 0 318.377 1.881 20 5 DDBDRO COCC[N@@H+]1CCN(Cc2onc(C)c2[N+](=O)[O-])C(C)(C)C1 ZINC000595562145 356553289 /nfs/dbraw/zinc/55/32/89/356553289.db2.gz FJQMDAMEIRVUNE-UHFFFAOYSA-N 1 0 312.370 1.434 20 5 DDBDRO O=[N+]([O-])c1ccc(-c2nnc(C[NH2+][C@H](CO)C3CCC3)o2)cc1 ZINC000595615070 356577985 /nfs/dbraw/zinc/57/79/85/356577985.db2.gz GBGMOQXQRALVQG-CYBMUJFWSA-N 1 0 318.333 1.895 20 5 DDBDRO C[C@]12COC[C@H]1C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C2 ZINC000595761674 356642183 /nfs/dbraw/zinc/64/21/83/356642183.db2.gz ZBHXHELHKJDLTN-DOMZBBRYSA-N 1 0 305.334 1.162 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000601348682 358510760 /nfs/dbraw/zinc/51/07/60/358510760.db2.gz XMHSQGPQAIXDNR-PHIMTYICSA-N 1 0 311.363 1.028 20 5 DDBDRO COc1ccc(NC(=O)[C@H](C)N(C)CC(C)(C)[NH3+])c([N+](=O)[O-])c1 ZINC000595901701 356698482 /nfs/dbraw/zinc/69/84/82/356698482.db2.gz ISWTVCDSKXPDQF-JTQLQIEISA-N 1 0 324.381 1.600 20 5 DDBDRO C[C@@]1(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CC[NH2+]C1 ZINC000595992872 356739149 /nfs/dbraw/zinc/73/91/49/356739149.db2.gz TXDPJPLEYMGHIZ-OAHLLOKOSA-N 1 0 315.333 1.262 20 5 DDBDRO CC1(C)OCC[C@@H]1C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000596067172 356760345 /nfs/dbraw/zinc/76/03/45/356760345.db2.gz UPWYFRXMPIEPTL-OCCSQVGLSA-N 1 0 324.377 1.739 20 5 DDBDRO COCC[NH+]1CCC(Nc2c(Cl)cncc2[N+](=O)[O-])CC1 ZINC000596088914 356768135 /nfs/dbraw/zinc/76/81/35/356768135.db2.gz BFXNOSSHUMMPAA-UHFFFAOYSA-N 1 0 314.773 1.588 20 5 DDBDRO C[NH+](C)[C@]1(CNc2c(Cl)cncc2[N+](=O)[O-])CCSC1 ZINC000596149819 356792231 /nfs/dbraw/zinc/79/22/31/356792231.db2.gz RODXDMZQWYHUDJ-LBPRGKRZSA-N 1 0 316.814 1.914 20 5 DDBDRO CS[C@H]1CN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)C[C@@H]1[NH+](C)C ZINC000596176617 356802929 /nfs/dbraw/zinc/80/29/29/356802929.db2.gz CPMGULUYUJGDBS-STQMWFEESA-N 1 0 324.406 1.176 20 5 DDBDRO C[NH+]1CCC2(CCN(c3nccc(C(N)=O)c3[N+](=O)[O-])C2)CC1 ZINC000596237688 356828313 /nfs/dbraw/zinc/82/83/13/356828313.db2.gz FWTDRXMQFFZFEF-UHFFFAOYSA-N 1 0 319.365 1.011 20 5 DDBDRO C[C@H](CCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])[NH+](C)C ZINC000596424217 356874270 /nfs/dbraw/zinc/87/42/70/356874270.db2.gz DORJNWMLCCAFOD-SNVBAGLBSA-N 1 0 315.395 1.750 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000596439116 356881967 /nfs/dbraw/zinc/88/19/67/356881967.db2.gz BNMKEAILIVVVHF-LLVKDONJSA-N 1 0 308.382 1.784 20 5 DDBDRO CN(CC1C[NH+](C)C1)c1ncc([N+](=O)[O-])cc1Br ZINC000596453790 356884430 /nfs/dbraw/zinc/88/44/30/356884430.db2.gz NPTTZARJEOHCSO-UHFFFAOYSA-N 1 0 315.171 1.750 20 5 DDBDRO CN(C)C(=O)CN(CC[NH+](C)C)c1ccc(F)cc1[N+](=O)[O-] ZINC000596461316 356887707 /nfs/dbraw/zinc/88/77/07/356887707.db2.gz FFLJLOLGCRKZQM-UHFFFAOYSA-N 1 0 312.345 1.190 20 5 DDBDRO Cc1cc(N2CN(CC[NH+](C)C)C(=O)[C@H]2C)c([N+](=O)[O-])s1 ZINC000596289198 356845971 /nfs/dbraw/zinc/84/59/71/356845971.db2.gz XXKYFJBNMVOWRM-SNVBAGLBSA-N 1 0 312.395 1.521 20 5 DDBDRO COc1cc(C(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000237232704 202198554 /nfs/dbraw/zinc/19/85/54/202198554.db2.gz QTJRBHMCBOSVQQ-PWSUYJOCSA-N 1 0 307.350 1.945 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000596498479 356898222 /nfs/dbraw/zinc/89/82/22/356898222.db2.gz CYPMLVZSTXXNQM-CYBMUJFWSA-N 1 0 320.393 1.785 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000596497018 356898231 /nfs/dbraw/zinc/89/82/31/356898231.db2.gz JRYXZCVBFDEFCV-CYBMUJFWSA-N 1 0 324.381 1.116 20 5 DDBDRO C[NH+](C)CC1CN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000597707274 357294855 /nfs/dbraw/zinc/29/48/55/357294855.db2.gz CBCWTWIIMJZOLU-UHFFFAOYSA-N 1 0 314.345 1.777 20 5 DDBDRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000597925367 357384278 /nfs/dbraw/zinc/38/42/78/357384278.db2.gz NVQHULWRXQKFFS-LBPRGKRZSA-N 1 0 321.377 1.963 20 5 DDBDRO O=C(c1ccccc1[N+](=O)[O-])N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000598451609 357588093 /nfs/dbraw/zinc/58/80/93/357588093.db2.gz CCBLCBLYKMEMCV-ZDUSSCGKSA-N 1 0 319.361 1.266 20 5 DDBDRO COC(=O)c1ccnc(N[C@H]2CC[N@@H+]3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000598589080 357643442 /nfs/dbraw/zinc/64/34/42/357643442.db2.gz CVUFVKBDWALIFM-NWDGAFQWSA-N 1 0 320.349 1.815 20 5 DDBDRO CN(CC(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1)c1ccccc1[N+](=O)[O-] ZINC000598670683 357679155 /nfs/dbraw/zinc/67/91/55/357679155.db2.gz WWBDDFHSIJNKAN-MLGOLLRUSA-N 1 0 318.377 1.371 20 5 DDBDRO CCS(=O)(=O)NCCNc1ccc2cnccc2c1[N+](=O)[O-] ZINC000599037110 357799519 /nfs/dbraw/zinc/79/95/19/357799519.db2.gz DUMJIVATQXZLGI-UHFFFAOYSA-N 1 0 324.362 1.494 20 5 DDBDRO C[N@@H+]1CC[C@@](O)(CNc2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000599064839 357805987 /nfs/dbraw/zinc/80/59/87/357805987.db2.gz FONYJIVDEMXNFT-OAHLLOKOSA-N 1 0 302.334 1.622 20 5 DDBDRO C[N@@H+]1CCCC[C@H](CNc2ncc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000599139028 357826568 /nfs/dbraw/zinc/82/65/68/357826568.db2.gz MQHREJKANJCWNA-SNVBAGLBSA-N 1 0 307.354 1.233 20 5 DDBDRO COc1ccc(OCC[N@H+](C)CC2(C)COC2)c([N+](=O)[O-])c1 ZINC000599571513 357978943 /nfs/dbraw/zinc/97/89/43/357978943.db2.gz JQPWOHMYFOELCU-UHFFFAOYSA-N 1 0 310.350 1.951 20 5 DDBDRO Cc1ccc(NC(=O)NCC2([NH3+])CCOCC2)cc1[N+](=O)[O-] ZINC000599590742 357985038 /nfs/dbraw/zinc/98/50/38/357985038.db2.gz YIESUZJQRXDZGL-UHFFFAOYSA-N 1 0 308.338 1.533 20 5 DDBDRO C[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1CCOCC1 ZINC000179858630 199089422 /nfs/dbraw/zinc/08/94/22/199089422.db2.gz QSEBYFDSWOLZII-WFASDCNBSA-N 1 0 324.377 1.739 20 5 DDBDRO C[C@@H]1CC[C@@H](NCc2cc3c(cc2[N+](=O)[O-])OCCO3)C[NH2+]1 ZINC000600679971 358281272 /nfs/dbraw/zinc/28/12/72/358281272.db2.gz QCJQLFBYIGKJHY-ZYHUDNBSSA-N 1 0 307.350 1.596 20 5 DDBDRO C[C@H](CN1CCCC1=O)Nc1ccnc2ccc([N+](=O)[O-])cc21 ZINC000601106549 358404842 /nfs/dbraw/zinc/40/48/42/358404842.db2.gz ZHOGMOKEXBNLOF-LLVKDONJSA-N 1 0 314.345 1.988 20 5 DDBDRO C[NH+](C)CCN1CCC(Nc2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000601103791 358403859 /nfs/dbraw/zinc/40/38/59/358403859.db2.gz HPBXNTYRNJUVRR-UHFFFAOYSA-N 1 0 311.361 1.567 20 5 DDBDRO CC(C)C[C@H](CNC(=O)c1c(N)cccc1[N+](=O)[O-])[NH+](C)C ZINC000181076749 199248502 /nfs/dbraw/zinc/24/85/02/199248502.db2.gz VABLGZNWYHNGHQ-LLVKDONJSA-N 1 0 308.382 1.883 20 5 DDBDRO CC[C@@H](C(=O)N[C@@](C)(CO)c1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000601775628 358690116 /nfs/dbraw/zinc/69/01/16/358690116.db2.gz GQPHFJGCRNNMSC-ZFWWWQNUSA-N 1 0 309.366 1.259 20 5 DDBDRO CC[NH+](CC)CCOCCNC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000348156972 283394089 /nfs/dbraw/zinc/39/40/89/283394089.db2.gz JWYLUGNNJSGMPP-UHFFFAOYSA-N 1 0 323.393 1.991 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N(C)CCOCC[NH3+] ZINC000602551208 359040275 /nfs/dbraw/zinc/04/02/75/359040275.db2.gz NTKFUAUZXSEWDN-UHFFFAOYSA-N 1 0 309.366 1.567 20 5 DDBDRO C[C@@H]1CC[C@@H](NC(=O)CCNc2ccccc2[N+](=O)[O-])C[NH2+]1 ZINC000602557363 359043978 /nfs/dbraw/zinc/04/39/78/359043978.db2.gz ZQMUVPYPDMUBDZ-VXGBXAGGSA-N 1 0 306.366 1.654 20 5 DDBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000602589961 359059023 /nfs/dbraw/zinc/05/90/23/359059023.db2.gz HJYRVVZZHVOVBB-PHIMTYICSA-N 1 0 307.375 1.650 20 5 DDBDRO C[C@H]1C[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CO1 ZINC000602705078 359135918 /nfs/dbraw/zinc/13/59/18/359135918.db2.gz ZOTGZAIQVOKGEK-AAEUAGOBSA-N 1 0 306.366 1.726 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCOCCF)CC2)cn1 ZINC000602714594 359144549 /nfs/dbraw/zinc/14/45/49/359144549.db2.gz HHVRNUOSKSXIBI-UHFFFAOYSA-N 1 0 312.345 1.534 20 5 DDBDRO C[C@@H]1OCC[C@H]1C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602768335 359176522 /nfs/dbraw/zinc/17/65/22/359176522.db2.gz UHDMBIHWGHSDAN-STQMWFEESA-N 1 0 306.366 1.537 20 5 DDBDRO COC1([C@H](C)[NH2+]CCn2c(C)ncc2[N+](=O)[O-])CCOCC1 ZINC000602848899 359236396 /nfs/dbraw/zinc/23/63/96/359236396.db2.gz XRNXHNACSCEUFJ-NSHDSACASA-N 1 0 312.370 1.273 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 ZINC000602819417 359214396 /nfs/dbraw/zinc/21/43/96/359214396.db2.gz BGPUSIKALOJBCS-SLEUVZQESA-N 1 0 324.381 1.368 20 5 DDBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@H](O)C[C@@](C)(O)C1CC1 ZINC000602831703 359223982 /nfs/dbraw/zinc/22/39/82/359223982.db2.gz PWHXIDNHNMMMKF-NVXWUHKLSA-N 1 0 322.405 1.981 20 5 DDBDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3cn(C)nc3[N+](=O)[O-])[C@@H]2C1 ZINC000602834199 359224888 /nfs/dbraw/zinc/22/48/88/359224888.db2.gz SURUXXNVFAXXPZ-YUTCNCBUSA-N 1 0 321.381 1.065 20 5 DDBDRO COc1cc(CN2CCC[C@](O)(C[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000602877767 359261149 /nfs/dbraw/zinc/26/11/49/359261149.db2.gz PUXPZWRPNZQWQQ-INIZCTEOSA-N 1 0 323.393 1.492 20 5 DDBDRO Cc1cncc([N+](=O)[O-])c1NC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000602953642 359319670 /nfs/dbraw/zinc/31/96/70/359319670.db2.gz BZBYMMPWBZVOTF-GFCCVEGCSA-N 1 0 317.349 1.198 20 5 DDBDRO CSC[C@@H](O)C[NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602961780 359325715 /nfs/dbraw/zinc/32/57/15/359325715.db2.gz CQFFOHMIZIKMSO-STQMWFEESA-N 1 0 300.380 1.116 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H](OC)C[C@]1(C)CO ZINC000602965137 359329022 /nfs/dbraw/zinc/32/90/22/359329022.db2.gz ZRSBCKOQALTQTI-DZGCQCFKSA-N 1 0 310.350 1.575 20 5 DDBDRO CC[C@@]1(O)CCC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000602982686 359337802 /nfs/dbraw/zinc/33/78/02/359337802.db2.gz WUAJRYJQQFKXQC-GOEBONIOSA-N 1 0 324.377 1.571 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@H](O)[C@H]2CCCC[C@@H]21 ZINC000602997598 359346653 /nfs/dbraw/zinc/34/66/53/359346653.db2.gz NKDLRMNACFFHFG-IHRRRGAJSA-N 1 0 308.382 1.725 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000603089676 359395848 /nfs/dbraw/zinc/39/58/48/359395848.db2.gz SGNPGQZTCDIGCQ-NHYWBVRUSA-N 1 0 305.334 1.298 20 5 DDBDRO C[NH+](C)CCc1cn(CCOc2ccc([N+](=O)[O-])cc2)nn1 ZINC000603200154 359475593 /nfs/dbraw/zinc/47/55/93/359475593.db2.gz DVXLISLPSBRBNI-UHFFFAOYSA-N 1 0 305.338 1.369 20 5 DDBDRO C[NH2+]C(C)(C)c1cn(CCOc2ccc([N+](=O)[O-])cc2)nn1 ZINC000603201539 359477174 /nfs/dbraw/zinc/47/71/74/359477174.db2.gz RMDHSKPMQJIEAW-UHFFFAOYSA-N 1 0 305.338 1.720 20 5 DDBDRO O=[N+]([O-])c1cc(F)ccc1Cn1cc(C[C@@H]2CC[NH2+]C2)nn1 ZINC000603224227 359496295 /nfs/dbraw/zinc/49/62/95/359496295.db2.gz NYQDQTLKXREFKE-JTQLQIEISA-N 1 0 305.313 1.526 20 5 DDBDRO C[NH2+]C(C)(C)c1cn(Cc2ccc([N+](=O)[O-])cc2OC)nn1 ZINC000603244663 359510907 /nfs/dbraw/zinc/51/09/07/359510907.db2.gz UDXGRLSTTSCLST-UHFFFAOYSA-N 1 0 305.338 1.698 20 5 DDBDRO [NH3+]CC[C@H](NC(=O)CNc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000449721536 283444051 /nfs/dbraw/zinc/44/40/51/283444051.db2.gz OQQROJHWJATIRP-JTQLQIEISA-N 1 0 320.271 1.403 20 5 DDBDRO COc1cc([N+](=O)[O-])cn(CC[NH+]2C[C@@H](C)C[C@H](C)C2)c1=O ZINC000603356596 359590624 /nfs/dbraw/zinc/59/06/24/359590624.db2.gz BNDXTKHCVDDRNA-RYUDHWBXSA-N 1 0 309.366 1.743 20 5 DDBDRO C[C@H]1COCC[N@@H+]1C1CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000603403028 359618654 /nfs/dbraw/zinc/61/86/54/359618654.db2.gz QRWIAHMHTSLZBM-NSHDSACASA-N 1 0 322.365 1.385 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000237707943 202333255 /nfs/dbraw/zinc/33/32/55/202333255.db2.gz DSXNXKYTMNSTBN-ZACCUICWSA-N 1 0 323.324 1.512 20 5 DDBDRO COc1cc(C[NH+]2CCC(CO)(OC)CC2)ccc1[N+](=O)[O-] ZINC000618551069 363669215 /nfs/dbraw/zinc/66/92/15/363669215.db2.gz OWHPIJHAAZOGEU-UHFFFAOYSA-N 1 0 310.350 1.577 20 5 DDBDRO Cc1cc(S(=O)(=O)NC2CCC([NH3+])CC2)ccc1[N+](=O)[O-] ZINC000237785694 202353824 /nfs/dbraw/zinc/35/38/24/202353824.db2.gz GJRFSKGWEWEHOH-UHFFFAOYSA-N 1 0 313.379 1.451 20 5 DDBDRO Cc1cc(C)c(S(=O)(=O)N[C@H](C)C[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000565774617 304091079 /nfs/dbraw/zinc/09/10/79/304091079.db2.gz IABXTSVMEZMILZ-GHMZBOCLSA-N 1 0 315.395 1.616 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCC[C@@H](CCO)C2)c1 ZINC000609204401 360274039 /nfs/dbraw/zinc/27/40/39/360274039.db2.gz MUQXDZKGYRNRMX-ZFWWWQNUSA-N 1 0 324.377 1.429 20 5 DDBDRO C[N@@H+]1CCC[C@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000609257955 360276668 /nfs/dbraw/zinc/27/66/68/360276668.db2.gz XMJKJWLLMUPOQT-LBPRGKRZSA-N 1 0 307.350 1.574 20 5 DDBDRO C[C@H]1C[C@@H](O)CCN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000292407730 223057151 /nfs/dbraw/zinc/05/71/51/223057151.db2.gz LTPPWUGLFOCKSR-GWCFXTLKSA-N 1 0 318.333 1.990 20 5 DDBDRO C[N@@H+]1CCC[C@@H](N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000609797420 360351123 /nfs/dbraw/zinc/35/11/23/360351123.db2.gz ZLKBVHZKVKHWFZ-CQSZACIVSA-N 1 0 305.382 1.206 20 5 DDBDRO COC(=O)c1cc(NC(=O)[C@@H]2CC[N@H+](C)C2)cc([N+](=O)[O-])c1 ZINC000609883747 360360482 /nfs/dbraw/zinc/36/04/82/360360482.db2.gz STYNPGBLBZSYSP-SECBINFHSA-N 1 0 307.306 1.272 20 5 DDBDRO CCCC(=O)NC1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000610447472 360438582 /nfs/dbraw/zinc/43/85/82/360438582.db2.gz XSCMDMLNADRFOY-UHFFFAOYSA-N 1 0 309.370 1.172 20 5 DDBDRO C[C@@H]([NH2+]CCCN(C)S(C)(=O)=O)c1ccc([N+](=O)[O-])cc1 ZINC000610538812 360464273 /nfs/dbraw/zinc/46/42/73/360464273.db2.gz WLYPRTQLMVXOLO-LLVKDONJSA-N 1 0 315.395 1.527 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)n1 ZINC000611616290 360777104 /nfs/dbraw/zinc/77/71/04/360777104.db2.gz UVILJOULOFNASV-CHWSQXEVSA-N 1 0 308.382 1.498 20 5 DDBDRO Cn1c(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000359058414 299316438 /nfs/dbraw/zinc/31/64/38/299316438.db2.gz WYNACLBOMOERFV-LLVKDONJSA-N 1 0 306.366 1.680 20 5 DDBDRO Cn1c(C(=O)N2CCN(c3cc[nH+]cc3)CC2)ccc1[N+](=O)[O-] ZINC000612599696 361076919 /nfs/dbraw/zinc/07/69/19/361076919.db2.gz LCNYHBMABVHBAJ-UHFFFAOYSA-N 1 0 315.333 1.291 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2cnn(CC(F)F)c2)c1 ZINC000292619892 223173313 /nfs/dbraw/zinc/17/33/13/223173313.db2.gz ITFNXIXAJBECJP-UHFFFAOYSA-N 1 0 300.269 1.043 20 5 DDBDRO Cn1cc(CCC[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)cn1 ZINC000618759098 363750543 /nfs/dbraw/zinc/75/05/43/363750543.db2.gz NBLACCOZLFTUHO-UHFFFAOYSA-N 1 0 318.381 1.795 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000193402741 201046054 /nfs/dbraw/zinc/04/60/54/201046054.db2.gz ZWLDBYANHAIXGZ-JOYOIKCWSA-N 1 0 313.379 1.180 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)[NH2+]C[C@@H]2CCC=CO2)cc1 ZINC000194442441 201229101 /nfs/dbraw/zinc/22/91/01/201229101.db2.gz OFXIEPAMZDFZHQ-RRFJBIMHSA-N 1 0 308.334 1.271 20 5 DDBDRO [NH3+]CCc1nc(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)cs1 ZINC000194768305 201286644 /nfs/dbraw/zinc/28/66/44/201286644.db2.gz YPVKURDHFZJNJV-UHFFFAOYSA-N 1 0 318.358 1.755 20 5 DDBDRO CCOC(=O)[C@]1(C(C)C)CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000194878137 201305530 /nfs/dbraw/zinc/30/55/30/201305530.db2.gz VJUFHNJMXCLMPI-OAHLLOKOSA-N 1 0 324.381 1.703 20 5 DDBDRO O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000566010615 304110368 /nfs/dbraw/zinc/11/03/68/304110368.db2.gz NYQRZKKUSRPTJE-KOLCDFICSA-N 1 0 319.317 1.148 20 5 DDBDRO C[C@H](C(=O)NC[C@](C)(O)CC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000566058838 304112609 /nfs/dbraw/zinc/11/26/09/304112609.db2.gz COOSRZFJMNKWLN-BLLLJJGKSA-N 1 0 323.393 1.517 20 5 DDBDRO COC(=O)CC1CC([NH2+]CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000566095895 304116766 /nfs/dbraw/zinc/11/67/66/304116766.db2.gz KZJHYKQXBWBOLV-UHFFFAOYSA-N 1 0 308.334 1.905 20 5 DDBDRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)CCOc3ccccc3[N+](=O)[O-])C[C@H]12 ZINC000248689499 202757351 /nfs/dbraw/zinc/75/73/51/202757351.db2.gz XMQUSZXBTXSXTH-FRRDWIJNSA-N 1 0 319.361 1.559 20 5 DDBDRO CNC(=O)c1ccc(N(C)CCC[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000281963920 216661972 /nfs/dbraw/zinc/66/19/72/216661972.db2.gz SZJRHWSCTABADG-UHFFFAOYSA-N 1 0 320.393 1.877 20 5 DDBDRO C[NH+](C)C[C@H]1CCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000275229540 212211304 /nfs/dbraw/zinc/21/13/04/212211304.db2.gz JFAMWJXIQATJIB-CQSZACIVSA-N 1 0 320.393 1.730 20 5 DDBDRO CC[C@H](C)C[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000093066013 193199273 /nfs/dbraw/zinc/19/92/73/193199273.db2.gz MWMBXPOFJHLEIM-NSHDSACASA-N 1 0 315.395 1.509 20 5 DDBDRO COc1cc(C(=O)N2CCCC[C@@H]2CC[NH3+])ccc1[N+](=O)[O-] ZINC000261817647 203124212 /nfs/dbraw/zinc/12/42/12/203124212.db2.gz ALFLZYVWFCCTFF-GFCCVEGCSA-N 1 0 307.350 1.947 20 5 DDBDRO COc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-] ZINC000262335652 203265944 /nfs/dbraw/zinc/26/59/44/203265944.db2.gz SZCSHCGOWGPKEQ-NEPJUHHUSA-N 1 0 305.334 1.570 20 5 DDBDRO C[C@H](Cn1cccn1)[NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000264836659 204195364 /nfs/dbraw/zinc/19/53/64/204195364.db2.gz FHIFJVCFYWSKBH-NEPJUHHUSA-N 1 0 317.349 1.797 20 5 DDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000351478010 284331640 /nfs/dbraw/zinc/33/16/40/284331640.db2.gz OIQCYLRTANVBEA-FDRIWYBQSA-N 1 0 318.377 1.591 20 5 DDBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)C1CC[NH+](C)CC1 ZINC000288310510 220075726 /nfs/dbraw/zinc/07/57/26/220075726.db2.gz LYLGOFZRBNJMGC-UHFFFAOYSA-N 1 0 305.378 1.938 20 5 DDBDRO CC(C)[C@H](CCO)[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000266188945 205170489 /nfs/dbraw/zinc/17/04/89/205170489.db2.gz XWIJFDVNZBZBRH-AWEZNQCLSA-N 1 0 310.350 1.958 20 5 DDBDRO C[N@H+](Cc1ccccc1)C1CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000288530863 220207809 /nfs/dbraw/zinc/20/78/09/220207809.db2.gz UOIAQEZQKCGNJG-UHFFFAOYSA-N 1 0 315.333 1.274 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H](OC)C1 ZINC000267863979 206309561 /nfs/dbraw/zinc/30/95/61/206309561.db2.gz YPVKYYURTLMUAF-LBPRGKRZSA-N 1 0 323.349 1.653 20 5 DDBDRO C[C@@H](c1ccco1)[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000267947290 206353730 /nfs/dbraw/zinc/35/37/30/206353730.db2.gz SLEXFAUXMWGPQQ-FZMZJTMJSA-N 1 0 320.349 1.971 20 5 DDBDRO COc1ccc(NC(=O)C[NH2+][C@@H](C)[C@@H]2CCOC2)c([N+](=O)[O-])c1 ZINC000274046689 211304643 /nfs/dbraw/zinc/30/46/43/211304643.db2.gz OZZIDMQYHTVYKQ-WDEREUQCSA-N 1 0 323.349 1.557 20 5 DDBDRO C[NH2+]CCCN(C)C(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1 ZINC000567351456 304213573 /nfs/dbraw/zinc/21/35/73/304213573.db2.gz OTXVZFMDFDVBJC-UHFFFAOYSA-N 1 0 311.338 1.294 20 5 DDBDRO Cc1c(NC(=O)CC[NH2+][C@H](C)[C@@H](C)CO)cccc1[N+](=O)[O-] ZINC000274011432 211269031 /nfs/dbraw/zinc/26/90/31/211269031.db2.gz LTSOIKJFOVKJKP-CMPLNLGQSA-N 1 0 309.366 1.838 20 5 DDBDRO C[C@H]1CC[NH2+]C[C@@H]1NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000193410562 300001618 /nfs/dbraw/zinc/00/16/18/300001618.db2.gz NUQIRBHVJBTTJA-WPRPVWTQSA-N 1 0 317.342 1.010 20 5 DDBDRO CN1C(=O)N[C@@H]2C[N@@H+](CCc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000285277903 218363026 /nfs/dbraw/zinc/36/30/26/218363026.db2.gz AXOWAXXCGSACPW-KGLIPLIRSA-N 1 0 304.350 1.235 20 5 DDBDRO CCCc1n[nH]c(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000109429005 194262845 /nfs/dbraw/zinc/26/28/45/194262845.db2.gz LIKPIUCJYGJAEN-SNVBAGLBSA-N 1 0 321.381 1.485 20 5 DDBDRO CC[NH+]1CCN(CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000058746877 184127498 /nfs/dbraw/zinc/12/74/98/184127498.db2.gz OKDUCSKENMEDNK-UHFFFAOYSA-N 1 0 322.365 1.179 20 5 DDBDRO C[NH2+][C@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)C1 ZINC000269107430 207246033 /nfs/dbraw/zinc/24/60/33/207246033.db2.gz CMYLUEJEASZNFX-VIFPVBQESA-N 1 0 308.294 1.245 20 5 DDBDRO COc1cc(C(=O)N2CCC[C@@H]([NH3+])C2)cc([N+](=O)[O-])c1OC ZINC000269118495 207254094 /nfs/dbraw/zinc/25/40/94/207254094.db2.gz QFYDSCGLZWIBNG-SNVBAGLBSA-N 1 0 309.322 1.175 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CCOC1CCCC1 ZINC000567679057 304233972 /nfs/dbraw/zinc/23/39/72/304233972.db2.gz JHWLEEORDVLQQF-CYBMUJFWSA-N 1 0 324.377 1.883 20 5 DDBDRO CC[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)CC(C)(C)O ZINC000114204749 194639644 /nfs/dbraw/zinc/63/96/44/194639644.db2.gz PCUFEOWUQHSUHJ-UHFFFAOYSA-N 1 0 321.377 1.577 20 5 DDBDRO CO[C@@H]1[C@H](C)[C@H]([NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1(C)C ZINC000295936387 532982533 /nfs/dbraw/zinc/98/25/33/532982533.db2.gz IPFBYSKMJQZSTP-BIGNPOOSSA-N 1 0 321.377 1.843 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000246994856 285156941 /nfs/dbraw/zinc/15/69/41/285156941.db2.gz BEDVKTIRAKAEAY-GJZGRUSLSA-N 1 0 321.377 1.115 20 5 DDBDRO O=[N+]([O-])c1ccccc1N1CC[NH+](CCc2cn[nH]c2)CC1 ZINC000290092285 285163429 /nfs/dbraw/zinc/16/34/29/285163429.db2.gz RKLRXDCSOGIXEU-UHFFFAOYSA-N 1 0 301.350 1.683 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000352590972 285161653 /nfs/dbraw/zinc/16/16/53/285161653.db2.gz PPLSADPEGVGDJS-QMTHXVAHSA-N 1 0 307.325 1.900 20 5 DDBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cnnn1C ZINC000352612119 285173499 /nfs/dbraw/zinc/17/34/99/285173499.db2.gz MXDOPZJPUZXWKB-SNVBAGLBSA-N 1 0 318.337 1.230 20 5 DDBDRO C[NH+](C)CCN(Cc1ccco1)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000156480924 197117359 /nfs/dbraw/zinc/11/73/59/197117359.db2.gz WOSKXSTTWAAPJP-UHFFFAOYSA-N 1 0 307.306 1.985 20 5 DDBDRO C[NH+](C)C[C@@](C)(O)CNc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000413196281 224152640 /nfs/dbraw/zinc/15/26/40/224152640.db2.gz DLKQBPIVSZUYMI-NSHDSACASA-N 1 0 322.287 1.733 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(C)cc1OC[C@@H](O)CN1CC[NH+](C)CC1 ZINC000414144586 224304579 /nfs/dbraw/zinc/30/45/79/224304579.db2.gz OTALQRBWLPPRGQ-AWEZNQCLSA-N 1 0 323.393 1.199 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CCC[NH2+]C1 ZINC000414654435 224368762 /nfs/dbraw/zinc/36/87/62/224368762.db2.gz JMWKFUBIARYPJV-JTQLQIEISA-N 1 0 308.338 1.725 20 5 DDBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1C[C@@](C)(O)C1 ZINC000417351008 533445879 /nfs/dbraw/zinc/44/58/79/533445879.db2.gz BNYPYUDZPXOYGR-ITDIGPHOSA-N 1 0 307.350 1.815 20 5 DDBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCCO1 ZINC000295848487 533504226 /nfs/dbraw/zinc/50/42/26/533504226.db2.gz BUQUVXZLYLVNBI-ZOWXZIJZSA-N 1 0 321.377 1.929 20 5 DDBDRO C[C@@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])cnc2N)CC[N@@H+]1C ZINC000330790362 533590558 /nfs/dbraw/zinc/59/05/58/533590558.db2.gz AOGWGFBYFQORTF-ZJUUUORDSA-N 1 0 307.354 1.127 20 5 DDBDRO COc1ccc(CNC(=O)N[C@@H](C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000299390970 533624425 /nfs/dbraw/zinc/62/44/25/533624425.db2.gz UIKGLMRPJLOVKZ-NSHDSACASA-N 1 0 324.381 1.743 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1CC2(C1)CCOCC2 ZINC000353023948 285465615 /nfs/dbraw/zinc/46/56/15/285465615.db2.gz HUWYGYMGIRBCPK-CYBMUJFWSA-N 1 0 322.361 1.447 20 5 DDBDRO CC[NH2+]CCCNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000569117818 304337309 /nfs/dbraw/zinc/33/73/09/304337309.db2.gz RMWCNWICVHETDA-UHFFFAOYSA-N 1 0 306.366 1.899 20 5 DDBDRO COc1cccc(C(=O)NCC[N@@H+]2CC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000569191591 304339869 /nfs/dbraw/zinc/33/98/69/304339869.db2.gz JADXVSBRPYLQNY-LLVKDONJSA-N 1 0 307.350 1.675 20 5 DDBDRO CC[C@@H](Cc1ccccc1)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000570036806 304391452 /nfs/dbraw/zinc/39/14/52/304391452.db2.gz HLDVJGTWXFDZGG-GOEBONIOSA-N 1 0 318.377 1.763 20 5 DDBDRO CS[C@@H](C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)(C)C ZINC000570509903 304412876 /nfs/dbraw/zinc/41/28/76/304412876.db2.gz LRRXVDZPCQEVMI-RYUDHWBXSA-N 1 0 316.427 1.520 20 5 DDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1C[C@H](SC)[C@@H]([NH+](C)C)C1 ZINC000361064038 299797577 /nfs/dbraw/zinc/79/75/77/299797577.db2.gz YSMGWPJZMYDNST-QWRGUYRKSA-N 1 0 313.427 1.601 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H]2COCc3ccccc32)c1 ZINC000570626296 304417345 /nfs/dbraw/zinc/41/73/45/304417345.db2.gz FYDMNQLWBOJDDE-DZGCQCFKSA-N 1 0 318.333 1.013 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N[C@@H]1C[C@@H]1C1CC[NH2+]CC1 ZINC000361113497 299802944 /nfs/dbraw/zinc/80/29/44/299802944.db2.gz YWPVUJRZKSGDJC-HUUCEWRRSA-N 1 0 319.361 1.478 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H]1C(N)=O ZINC000068369199 406637199 /nfs/dbraw/zinc/63/71/99/406637199.db2.gz HJCFPSSDWGSHHR-ZDUSSCGKSA-N 1 0 320.349 1.182 20 5 DDBDRO C[N@@H+]1CC[C@H](CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000037647822 406992993 /nfs/dbraw/zinc/99/29/93/406992993.db2.gz XRGUUUNRYZGTAI-SNVBAGLBSA-N 1 0 313.379 1.362 20 5 DDBDRO Cc1ccc([C@H](C)[NH2+]CCCS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000038047397 406997578 /nfs/dbraw/zinc/99/75/78/406997578.db2.gz PEESOXUXMLHNOD-NSHDSACASA-N 1 0 300.380 1.989 20 5 DDBDRO CC[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccs1 ZINC000049530318 407122187 /nfs/dbraw/zinc/12/21/87/407122187.db2.gz NIWCOMNHPBCZJE-NWDGAFQWSA-N 1 0 310.379 1.955 20 5 DDBDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000046988447 407068216 /nfs/dbraw/zinc/06/82/16/407068216.db2.gz UZIGPMSWTFQQPD-CYBMUJFWSA-N 1 0 323.397 1.562 20 5 DDBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000570929615 304427409 /nfs/dbraw/zinc/42/74/09/304427409.db2.gz KYWQZEKTCUNJMI-UWVGGRQHSA-N 1 0 318.337 1.031 20 5 DDBDRO C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCC[NH2+]C1 ZINC000050163267 407128332 /nfs/dbraw/zinc/12/83/32/407128332.db2.gz IKRFBLUIYBVOBH-QWRGUYRKSA-N 1 0 313.379 1.261 20 5 DDBDRO Cc1nn(C)c(NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000051649968 407142621 /nfs/dbraw/zinc/14/26/21/407142621.db2.gz SVILUDKIEIQYDL-QWRGUYRKSA-N 1 0 311.386 1.548 20 5 DDBDRO O=C(CCOc1ccccc1[N+](=O)[O-])NCC[NH+]1CCCCC1 ZINC000055365932 407201647 /nfs/dbraw/zinc/20/16/47/407201647.db2.gz KSPIDFQPRVRCBX-UHFFFAOYSA-N 1 0 321.377 1.966 20 5 DDBDRO C[C@@H]1C[N@@H+](C2CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)CCO1 ZINC000124309807 407353668 /nfs/dbraw/zinc/35/36/68/407353668.db2.gz XUIWTGHLUBDZMQ-LLVKDONJSA-N 1 0 323.349 1.513 20 5 DDBDRO C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCCNC1=O ZINC000105610981 407354747 /nfs/dbraw/zinc/35/47/47/407354747.db2.gz PVDSNBURIPTXSW-OAHLLOKOSA-N 1 0 321.377 1.964 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@@H]1CCC[C@H]1O ZINC000570966250 304429876 /nfs/dbraw/zinc/42/98/76/304429876.db2.gz QWHUIBQFKNGDPC-OUCADQQQSA-N 1 0 310.350 1.085 20 5 DDBDRO CC[C@@H](C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)[NH+](C)C ZINC000125262883 407383331 /nfs/dbraw/zinc/38/33/31/407383331.db2.gz FNHHSCWJWNPDRP-AAEUAGOBSA-N 1 0 321.381 1.343 20 5 DDBDRO COc1cc(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000108783531 407390557 /nfs/dbraw/zinc/39/05/57/407390557.db2.gz YJLFDOAIYHQATA-NSHDSACASA-N 1 0 319.361 1.818 20 5 DDBDRO CC(C)(C)OC(=O)[C@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000178516433 407478289 /nfs/dbraw/zinc/47/82/89/407478289.db2.gz LZOHREXSTYSDLU-NSHDSACASA-N 1 0 310.354 1.455 20 5 DDBDRO C[NH+](C)C1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000127956610 407482493 /nfs/dbraw/zinc/48/24/93/407482493.db2.gz HDOMNAVTBADJKH-UHFFFAOYSA-N 1 0 306.366 1.559 20 5 DDBDRO COCC(C)(C)[NH2+]CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000178602444 407508712 /nfs/dbraw/zinc/50/87/12/407508712.db2.gz KXTWAYSAZDKMPZ-UHFFFAOYSA-N 1 0 311.338 1.557 20 5 DDBDRO C[C@H](C[NH+]1CCOCC1)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000271120849 407524583 /nfs/dbraw/zinc/52/45/83/407524583.db2.gz OAJBWLYKKGIGMB-GFCCVEGCSA-N 1 0 307.350 1.179 20 5 DDBDRO CC[C@H]1CN(c2ncc([N+](=O)[O-])cc2C)CC[N@@H+]1C[C@@H](C)O ZINC000266309717 407536651 /nfs/dbraw/zinc/53/66/51/407536651.db2.gz DIKFHRDHFWDIDC-OLZOCXBDSA-N 1 0 308.382 1.580 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000261789409 407617368 /nfs/dbraw/zinc/61/73/68/407617368.db2.gz LVVPDSDOUICQBE-UHFFFAOYSA-N 1 0 319.361 1.819 20 5 DDBDRO C[NH2+][C@@H]1CCCN(CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000261733944 407595362 /nfs/dbraw/zinc/59/53/62/407595362.db2.gz JVCVZSSLAJVDIR-CYBMUJFWSA-N 1 0 320.393 1.916 20 5 DDBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000271405781 407674265 /nfs/dbraw/zinc/67/42/65/407674265.db2.gz NKIVXWZXLBWRFZ-MNOVXSKESA-N 1 0 307.354 1.027 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000115443614 407680397 /nfs/dbraw/zinc/68/03/97/407680397.db2.gz PPMAYMYLUVEZFZ-LBPRGKRZSA-N 1 0 306.366 1.712 20 5 DDBDRO [NH3+][C@@H]1CCC[C@@H]2CN(CC(=O)Nc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000261955750 407687818 /nfs/dbraw/zinc/68/78/18/407687818.db2.gz XCODFOJRLIKNIN-FRRDWIJNSA-N 1 0 318.377 1.593 20 5 DDBDRO COCC1(CNC(=O)Cc2cccc([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000261960723 407691955 /nfs/dbraw/zinc/69/19/55/407691955.db2.gz XQOZZXFRBKXZEI-UHFFFAOYSA-N 1 0 321.377 1.270 20 5 DDBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)c3cc(F)ccc3[N+](=O)[O-])C[C@H]21 ZINC000262041422 407720424 /nfs/dbraw/zinc/72/04/24/407720424.db2.gz BXBIDYOROUCOBG-OASPWFOLSA-N 1 0 307.325 1.933 20 5 DDBDRO C[C@H](CNC(=O)NCc1ccccc1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000171609705 407720659 /nfs/dbraw/zinc/72/06/59/407720659.db2.gz SSYWRAXWKYAZGE-LLVKDONJSA-N 1 0 306.366 1.877 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C1(CO)CCCC1 ZINC000182207983 306703093 /nfs/dbraw/zinc/70/30/93/306703093.db2.gz ZGHFWTLLCNSVDR-LBPRGKRZSA-N 1 0 310.350 1.229 20 5 DDBDRO CCCC[C@H](C[NH3+])NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000236748285 407768207 /nfs/dbraw/zinc/76/82/07/407768207.db2.gz XIOMIZVZQOSDNZ-MRVPVSSYSA-N 1 0 307.397 1.452 20 5 DDBDRO CS(=O)(=O)CCCN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153223362 407780635 /nfs/dbraw/zinc/78/06/35/407780635.db2.gz OUIRYQDGYVEWSA-UHFFFAOYSA-N 1 0 312.391 1.994 20 5 DDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[NH2+]C1CC1 ZINC000236983115 407786629 /nfs/dbraw/zinc/78/66/29/407786629.db2.gz MILQNVFKQIXSRI-UHFFFAOYSA-N 1 0 313.379 1.188 20 5 DDBDRO CN(C1CC[NH2+]CC1)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000237122453 407796245 /nfs/dbraw/zinc/79/62/45/407796245.db2.gz NLANULUJXLUROU-UHFFFAOYSA-N 1 0 313.379 1.108 20 5 DDBDRO Cc1ccc(S(=O)(=O)N2CCC[C@@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000237732369 407837807 /nfs/dbraw/zinc/83/78/07/407837807.db2.gz KXPQWNAXXKZSOE-NSHDSACASA-N 1 0 313.379 1.263 20 5 DDBDRO O=C(NC[C@@H]1CCCC[NH2+]1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000237918429 407852018 /nfs/dbraw/zinc/85/20/18/407852018.db2.gz ZDIRAEHYSPVJFD-VIFPVBQESA-N 1 0 303.322 1.343 20 5 DDBDRO C[C@H](CN1CC[NH+](C)CC1)Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC000153735447 407890613 /nfs/dbraw/zinc/89/06/13/407890613.db2.gz RMEKZIWFAKXZFR-SNVBAGLBSA-N 1 0 313.789 1.691 20 5 DDBDRO O=C(N[C@@H]1CCC[NH2+]C1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000238123311 407892149 /nfs/dbraw/zinc/89/21/49/407892149.db2.gz WMQRESIEEJHQSQ-GFCCVEGCSA-N 1 0 304.350 1.651 20 5 DDBDRO COc1cc(OCC(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000153539873 407848829 /nfs/dbraw/zinc/84/88/29/407848829.db2.gz FVIZWEQUGQOGKH-QWRGUYRKSA-N 1 0 323.349 1.191 20 5 DDBDRO COC(=O)c1cc(C(=O)N2C[C@H](C)[NH2+]C[C@H]2C)cc([N+](=O)[O-])c1 ZINC000272501716 407949021 /nfs/dbraw/zinc/94/90/21/407949021.db2.gz DUIFYYWDEUADPF-VHSXEESVSA-N 1 0 321.333 1.204 20 5 DDBDRO CN(CC(=O)Nc1ccccc1[N+](=O)[O-])C[C@@H]1CCC[N@H+](C)C1 ZINC000118841687 407953217 /nfs/dbraw/zinc/95/32/17/407953217.db2.gz QYRZSNAMWDHHRW-CYBMUJFWSA-N 1 0 320.393 1.807 20 5 DDBDRO CC[NH+](CC)[C@H]1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000174153590 407917633 /nfs/dbraw/zinc/91/76/33/407917633.db2.gz ICUNYIWRSSHZRV-ZDUSSCGKSA-N 1 0 320.393 1.949 20 5 DDBDRO CN(C(=O)COc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@H+](C)C1 ZINC000153896429 407926426 /nfs/dbraw/zinc/92/64/26/407926426.db2.gz AJQDQOXVUQVKEB-CYBMUJFWSA-N 1 0 307.350 1.526 20 5 DDBDRO Cc1n[nH]c(C(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)c1[N+](=O)[O-] ZINC000268280900 407982318 /nfs/dbraw/zinc/98/23/18/407982318.db2.gz YCHCOGQEUNRQAL-NSHDSACASA-N 1 0 309.370 1.334 20 5 DDBDRO Cc1c(C(=O)NC[C@H]2CC[NH2+]C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000273037611 408030399 /nfs/dbraw/zinc/03/03/99/408030399.db2.gz ODEYOCOZJPJKHV-JTQLQIEISA-N 1 0 322.321 1.459 20 5 DDBDRO O=C1NCCCN1C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000135424008 408016059 /nfs/dbraw/zinc/01/60/59/408016059.db2.gz ARZYAYUFVKFAIT-UHFFFAOYSA-N 1 0 318.377 1.975 20 5 DDBDRO CSCC[N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182024193 408065077 /nfs/dbraw/zinc/06/50/77/408065077.db2.gz KHFYWDBEZQWPAQ-NSHDSACASA-N 1 0 300.380 1.629 20 5 DDBDRO CC[C@H]1CN(c2ccc([N+](=O)[O-])c(C)n2)CC[N@@H+]1C[C@@H](C)O ZINC000150767519 408196557 /nfs/dbraw/zinc/19/65/57/408196557.db2.gz LCRLUWVUTSKYIN-YPMHNXCESA-N 1 0 308.382 1.580 20 5 DDBDRO C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1CCCO1 ZINC000246067341 408133361 /nfs/dbraw/zinc/13/33/61/408133361.db2.gz SBZVOMFDJUSLEN-SLEUVZQESA-N 1 0 321.377 1.929 20 5 DDBDRO CC[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000182388497 408145395 /nfs/dbraw/zinc/14/53/95/408145395.db2.gz YFVLIOWJJYFLHD-KCQAQPDRSA-N 1 0 324.377 1.882 20 5 DDBDRO COC[C@H]1CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000273339207 408157391 /nfs/dbraw/zinc/15/73/91/408157391.db2.gz NIMCEMDYUYQEKH-STQMWFEESA-N 1 0 310.350 1.303 20 5 DDBDRO Cc1c(CN2CCN(c3cccc([N+](=O)[O-])c3)CC2)cnn1C ZINC000121282471 408177486 /nfs/dbraw/zinc/17/74/86/408177486.db2.gz JNCADHFRSKEJJZ-UHFFFAOYSA-N 1 0 315.377 1.959 20 5 DDBDRO O=C([C@H]1CCCC[NH2+]1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000150708469 408191665 /nfs/dbraw/zinc/19/16/65/408191665.db2.gz MLFSLINQLWIZFR-CYBMUJFWSA-N 1 0 318.377 1.386 20 5 DDBDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000175968568 408253521 /nfs/dbraw/zinc/25/35/21/408253521.db2.gz NWYXFLXKDUKVIS-NSHDSACASA-N 1 0 306.366 1.781 20 5 DDBDRO O=C(Cn1ccc([N+](=O)[O-])n1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000150770400 408200496 /nfs/dbraw/zinc/20/04/96/408200496.db2.gz IDXSVTULJGCBEC-ZDUSSCGKSA-N 1 0 321.381 1.268 20 5 DDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000246315642 408216458 /nfs/dbraw/zinc/21/64/58/408216458.db2.gz KBGUGJKJJZPNRT-DOMZBBRYSA-N 1 0 318.377 1.702 20 5 DDBDRO CCO[C@@H]1C[C@H](O)C12CC[NH+](CCn1ccc([N+](=O)[O-])n1)CC2 ZINC000176261556 408326932 /nfs/dbraw/zinc/32/69/32/408326932.db2.gz WYFSTDWVBFYQJL-QWHCGFSZSA-N 1 0 324.381 1.043 20 5 DDBDRO C[NH+](C)C[C@@H]1CCCN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000263909208 408308720 /nfs/dbraw/zinc/30/87/20/408308720.db2.gz IUAYLAVMSXPHSG-ZDUSSCGKSA-N 1 0 320.393 1.949 20 5 DDBDRO Nc1c(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000176398747 408356677 /nfs/dbraw/zinc/35/66/77/408356677.db2.gz DGQWLLXQZUVTDB-LLVKDONJSA-N 1 0 304.350 1.487 20 5 DDBDRO O=C(NCC[NH+]1CCCC1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000172126350 162260256 /nfs/dbraw/zinc/26/02/56/162260256.db2.gz XWNZRPXWMVIRDO-UHFFFAOYSA-N 1 0 302.334 1.902 20 5 DDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000173446193 162339717 /nfs/dbraw/zinc/33/97/17/162339717.db2.gz OPMLIPDBJWWVIX-HNNXBMFYSA-N 1 0 303.362 1.834 20 5 DDBDRO CC[NH+](CC)[C@@H]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000173842714 162370309 /nfs/dbraw/zinc/37/03/09/162370309.db2.gz LTUNTJJNMKABJP-CQSZACIVSA-N 1 0 320.393 1.610 20 5 DDBDRO NC(=O)CC1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000269649748 408375590 /nfs/dbraw/zinc/37/55/90/408375590.db2.gz GDTIVASHELFVCV-CQSZACIVSA-N 1 0 307.350 1.216 20 5 DDBDRO C[N@@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])c(N)n2)[C@H]1c1ccccc1 ZINC000270338984 408494561 /nfs/dbraw/zinc/49/45/61/408494561.db2.gz ZBGUPNRJIBOLBA-WCQYABFASA-N 1 0 314.349 1.824 20 5 DDBDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000264462665 408498427 /nfs/dbraw/zinc/49/84/27/408498427.db2.gz SANVLBLWLZTGPL-LLVKDONJSA-N 1 0 324.356 1.100 20 5 DDBDRO C[C@H]1C[C@@H](NC(=O)CNc2ccccc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000177033702 408502459 /nfs/dbraw/zinc/50/24/59/408502459.db2.gz SMCLSNVZAAOGAC-NWDGAFQWSA-N 1 0 318.377 1.748 20 5 DDBDRO C[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C[C@H]1CCC[C@H]1O ZINC000248374144 408553227 /nfs/dbraw/zinc/55/32/27/408553227.db2.gz NZUIBEWWRDPCIU-VNHYZAJKSA-N 1 0 324.377 1.427 20 5 DDBDRO Cc1c(NC(=O)CC[N@@H+](C)CC(C)(C)O)cccc1[N+](=O)[O-] ZINC000265169890 408569159 /nfs/dbraw/zinc/56/91/59/408569159.db2.gz YNGBFIKKOJLPGP-UHFFFAOYSA-N 1 0 309.366 1.935 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000192477396 408594795 /nfs/dbraw/zinc/59/47/95/408594795.db2.gz JEDSEEDIMJEESC-TXEJJXNPSA-N 1 0 318.377 1.294 20 5 DDBDRO C[C@H]1CN(CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000270630651 408612673 /nfs/dbraw/zinc/61/26/73/408612673.db2.gz GSXATEOCQCRUSQ-FZMZJTMJSA-N 1 0 306.366 1.415 20 5 DDBDRO O=C1CCCN1[C@H]1CC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000270874708 408718677 /nfs/dbraw/zinc/71/86/77/408718677.db2.gz JQFSYHUUKMGFMZ-LSDHHAIUSA-N 1 0 319.361 1.325 20 5 DDBDRO C[N@H+](CCNC(=O)c1cccc([N+](=O)[O-])c1N)C1CCCC1 ZINC000178193772 408785856 /nfs/dbraw/zinc/78/58/56/408785856.db2.gz PJSLHSZYERYJJG-UHFFFAOYSA-N 1 0 306.366 1.781 20 5 DDBDRO Cc1cnc([C@@H](C)[NH2+]CCn2cc([N+](=O)[O-])ccc2=O)s1 ZINC000185040949 408744947 /nfs/dbraw/zinc/74/49/47/408744947.db2.gz SEVLCGJWDXFCOA-SNVBAGLBSA-N 1 0 308.363 1.872 20 5 DDBDRO COc1ccc(C[N@@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)cc1[N+](=O)[O-] ZINC000281315869 408880102 /nfs/dbraw/zinc/88/01/02/408880102.db2.gz QVVLCTSYPDCPRS-NEPJUHHUSA-N 1 0 321.333 1.534 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3N)[C@H]2C1 ZINC000276337663 408838995 /nfs/dbraw/zinc/83/89/95/408838995.db2.gz HOPWYXVSVWSKNP-YGRLFVJLSA-N 1 0 304.350 1.343 20 5 DDBDRO COc1cc(C(=O)N(C[C@@H]2CCC[NH2+]2)C2CC2)ccc1[N+](=O)[O-] ZINC000186487806 162977937 /nfs/dbraw/zinc/97/79/37/162977937.db2.gz ONWTWALUFRDJID-LBPRGKRZSA-N 1 0 319.361 1.960 20 5 DDBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CC[NH+]2CCC1CC2 ZINC000188854503 163073226 /nfs/dbraw/zinc/07/32/26/163073226.db2.gz CFMMAGLPWDYEBQ-ZZXKWVIFSA-N 1 0 301.346 1.915 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCCC[N@H+](C)C(C)C)n1 ZINC000286188969 408939445 /nfs/dbraw/zinc/93/94/45/408939445.db2.gz QRNHGPKBVCACQE-UHFFFAOYSA-N 1 0 310.354 1.919 20 5 DDBDRO COC(=O)c1cc(C)nc(N2CCC[N@H+](C)CC2)c1[N+](=O)[O-] ZINC000286929958 409002148 /nfs/dbraw/zinc/00/21/48/409002148.db2.gz LIVWJPMMIZMOEI-UHFFFAOYSA-N 1 0 308.338 1.227 20 5 DDBDRO COc1ccc(CN2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000282209808 409010852 /nfs/dbraw/zinc/01/08/52/409010852.db2.gz XWAPLHJJVKLTEZ-QWHCGFSZSA-N 1 0 323.393 1.490 20 5 DDBDRO C[NH+](C)C[C@H]1CN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CCO1 ZINC000278466084 409084278 /nfs/dbraw/zinc/08/42/78/409084278.db2.gz NEUDFIDVVWTVIZ-NSHDSACASA-N 1 0 305.338 1.238 20 5 DDBDRO Cc1ccc(C(=O)N2CC[C@@H]([N@H+](C)CCO)[C@H]2C)cc1[N+](=O)[O-] ZINC000293567611 409140168 /nfs/dbraw/zinc/14/01/68/409140168.db2.gz DGDIHUBYRHJFSU-TZMCWYRMSA-N 1 0 321.377 1.430 20 5 DDBDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)c3cc(F)ccc3[N+](=O)[O-])C2)C1 ZINC000293584203 409142957 /nfs/dbraw/zinc/14/29/57/409142957.db2.gz ANVNIKKECDORLQ-OAHLLOKOSA-N 1 0 307.325 1.902 20 5 DDBDRO C[C@@H]([NH2+]CCN1CCOC(C)(C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293893567 409201842 /nfs/dbraw/zinc/20/18/42/409201842.db2.gz WACVSYOIXGVUJI-GFCCVEGCSA-N 1 0 322.409 1.938 20 5 DDBDRO CN(C(=O)c1cc([N+](=O)[O-])c(F)cc1N)[C@@H]1CCC[N@H+](C)C1 ZINC000279391719 409204914 /nfs/dbraw/zinc/20/49/14/409204914.db2.gz IUUSHJBBLNTUTD-SECBINFHSA-N 1 0 310.329 1.482 20 5 DDBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@H](CO)[C@H]1CCOC1 ZINC000280326214 409292418 /nfs/dbraw/zinc/29/24/18/409292418.db2.gz PWLVSDZUFARKHE-ACYLFWIKSA-N 1 0 306.362 1.843 20 5 DDBDRO COC[C@]1(CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)CCC[NH2+]1 ZINC000262544596 163847454 /nfs/dbraw/zinc/84/74/54/163847454.db2.gz RONMDNQDGHEGQN-OAHLLOKOSA-N 1 0 307.350 1.402 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1CN1CCO[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000284715656 409359217 /nfs/dbraw/zinc/35/92/17/409359217.db2.gz ULZRFXDBGTWFQS-JKSUJKDBSA-N 1 0 305.378 1.808 20 5 DDBDRO O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000290376927 409380834 /nfs/dbraw/zinc/38/08/34/409380834.db2.gz KMGJBJCOJQLRBA-RYUDHWBXSA-N 1 0 314.345 1.758 20 5 DDBDRO CC(C)C[C@H](CNc1nccc(C(N)=O)c1[N+](=O)[O-])[NH+](C)C ZINC000290458545 409408136 /nfs/dbraw/zinc/40/81/36/409408136.db2.gz DYXVBCNSXYBSKU-SNVBAGLBSA-N 1 0 309.370 1.477 20 5 DDBDRO C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCN2CCO[C@H]1C2 ZINC000295389144 409460548 /nfs/dbraw/zinc/46/05/48/409460548.db2.gz KZODMTYQMSYXRX-OAGGEKHMSA-N 1 0 321.377 1.033 20 5 DDBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000290517636 409429495 /nfs/dbraw/zinc/42/94/95/409429495.db2.gz GZPVQDDCRMFICP-SNVBAGLBSA-N 1 0 311.386 1.487 20 5 DDBDRO CNc1c(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)cccc1[N+](=O)[O-] ZINC000317037811 164024923 /nfs/dbraw/zinc/02/49/23/164024923.db2.gz RKJBJWNUNWEVEP-LLVKDONJSA-N 1 0 306.366 1.803 20 5 DDBDRO CC[N@@H+]1CC[C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2NC)C1 ZINC000317537929 164027659 /nfs/dbraw/zinc/02/76/59/164027659.db2.gz ARKYQLYRRXCJHC-NSHDSACASA-N 1 0 306.366 1.708 20 5 DDBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000320042345 164039999 /nfs/dbraw/zinc/03/99/99/164039999.db2.gz YCTJHUXKIQDTBD-HNCOSLNKSA-N 1 0 301.346 1.676 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000296420162 409541883 /nfs/dbraw/zinc/54/18/83/409541883.db2.gz LIWLORGAOSOLCE-ZDUSSCGKSA-N 1 0 321.377 1.480 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H](C)C[N@H+](C)C(C)C ZINC000356766596 409585985 /nfs/dbraw/zinc/58/59/85/409585985.db2.gz LBYNHUBEYRCVLI-NSHDSACASA-N 1 0 311.386 1.335 20 5 DDBDRO COc1ccc(C[NH2+][C@H]2CS(=O)(=O)C[C@H]2C)cc1[N+](=O)[O-] ZINC000342415678 409612708 /nfs/dbraw/zinc/61/27/08/409612708.db2.gz KMSMUTMUQPPHCI-KOLCDFICSA-N 1 0 314.363 1.126 20 5 DDBDRO CC(C)(C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12)n1cc([N+](=O)[O-])cn1 ZINC000331663734 409746889 /nfs/dbraw/zinc/74/68/89/409746889.db2.gz OSTXSGJXVVBHRF-STQMWFEESA-N 1 0 321.381 1.269 20 5 DDBDRO C[C@H]([NH2+][C@H]1CCCN(C)[C@H]1C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000342709354 409835652 /nfs/dbraw/zinc/83/56/52/409835652.db2.gz JUMUHURTZHADPT-HUBLWGQQSA-N 1 0 320.393 1.994 20 5 DDBDRO COc1ccc(OCCN2CC[C@@H]3C[NH2+]C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000357070000 409838226 /nfs/dbraw/zinc/83/82/26/409838226.db2.gz ILQNCFMCROUELN-OLZOCXBDSA-N 1 0 321.377 1.524 20 5 DDBDRO C[C@@H]1CCC[C@@H](CC[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000316186260 409853510 /nfs/dbraw/zinc/85/35/10/409853510.db2.gz KVOMKHOMYWJJSH-IPYPFGDCSA-N 1 0 310.398 1.958 20 5 DDBDRO O=C(CCN1CC[C@H]2C[NH2+]C[C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000357085338 409860592 /nfs/dbraw/zinc/86/05/92/409860592.db2.gz SJXPOLMLWOOTEW-QWHCGFSZSA-N 1 0 318.377 1.465 20 5 DDBDRO CCN(Cc1nc(-c2c([N+](=O)[O-])nc(C)n2C)no1)C1CC1 ZINC000350930270 410016524 /nfs/dbraw/zinc/01/65/24/410016524.db2.gz ULWINFRBNZVHKJ-UHFFFAOYSA-N 1 0 306.326 1.671 20 5 DDBDRO CC[N@@H+]1C[C@H](C)N(c2nccc(C(N)=O)c2[N+](=O)[O-])C[C@H]1C ZINC000357460900 410052371 /nfs/dbraw/zinc/05/23/71/410052371.db2.gz RRFGCWKBNDADCO-ZJUUUORDSA-N 1 0 307.354 1.008 20 5 DDBDRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000343110958 410156144 /nfs/dbraw/zinc/15/61/44/410156144.db2.gz YVGJCOIKKMOVCK-XHDPSFHLSA-N 1 0 319.361 1.382 20 5 DDBDRO O=C(COc1cccc([N+](=O)[O-])c1)NCCC[NH+]1CCCCC1 ZINC000298334784 410185218 /nfs/dbraw/zinc/18/52/18/410185218.db2.gz KUPAODHCMYXVJH-UHFFFAOYSA-N 1 0 321.377 1.966 20 5 DDBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000343199626 410228841 /nfs/dbraw/zinc/22/88/41/410228841.db2.gz FGOXMKVNQWHRGP-IJLUTSLNSA-N 1 0 321.381 1.795 20 5 DDBDRO C[N@H+](CC(=O)NCCc1ccccc1[N+](=O)[O-])[C@H]1CCSC1 ZINC000343315510 410345377 /nfs/dbraw/zinc/34/53/77/410345377.db2.gz XVZUFLFTNLGGTJ-ZDUSSCGKSA-N 1 0 323.418 1.691 20 5 DDBDRO C[N@@H+]1CC[C@](O)(CNc2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000358361128 410453932 /nfs/dbraw/zinc/45/39/32/410453932.db2.gz WGNGXKOOUJGUDA-HNNXBMFYSA-N 1 0 302.334 1.622 20 5 DDBDRO O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccc2c[nH+]cn2c1 ZINC000339945778 410570251 /nfs/dbraw/zinc/57/02/51/410570251.db2.gz YHWIBFGIFGBEHD-UHFFFAOYSA-N 1 0 322.284 2.371 20 5 DDBDRO C[NH+]1CCC(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 ZINC000299139438 410541320 /nfs/dbraw/zinc/54/13/20/410541320.db2.gz OOHOYBIMVXNAHX-UHFFFAOYSA-N 1 0 302.334 1.900 20 5 DDBDRO O=C(CC[N@H+]1C[C@@H]2CC[C@H](O)[C@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000337310866 410707077 /nfs/dbraw/zinc/70/70/77/410707077.db2.gz BOZAOEYZSONRPI-HUBLWGQQSA-N 1 0 319.361 1.626 20 5 DDBDRO C[NH+](C)CCOCCNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000347825111 410744336 /nfs/dbraw/zinc/74/43/36/410744336.db2.gz IEVDRRNLTJZQQQ-UHFFFAOYSA-N 1 0 324.381 1.015 20 5 DDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1C[C@@H](SC)[C@@H]([NH+](C)C)C1 ZINC000359595214 410758118 /nfs/dbraw/zinc/75/81/18/410758118.db2.gz OWGLSYRXYFETGJ-WDEREUQCSA-N 1 0 313.427 1.601 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000330555597 410771090 /nfs/dbraw/zinc/77/10/90/410771090.db2.gz VMEYFVKANFCAES-UHFFFAOYSA-N 1 0 306.366 1.712 20 5 DDBDRO CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000353177806 410834258 /nfs/dbraw/zinc/83/42/58/410834258.db2.gz IKZFHIRUGWATOH-QWHCGFSZSA-N 1 0 307.350 1.608 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@@H]1CCC[C@H]1OC(F)F ZINC000348519901 410994774 /nfs/dbraw/zinc/99/47/74/410994774.db2.gz GPBIHJBUDPGTPY-GHMZBOCLSA-N 1 0 317.292 1.506 20 5 DDBDRO COc1cccc(C(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])c1[N+](=O)[O-] ZINC000580063572 422881490 /nfs/dbraw/zinc/88/14/90/422881490.db2.gz ODQDZGJOLWMZCI-PWSUYJOCSA-N 1 0 307.350 1.945 20 5 DDBDRO COCC[NH2+]CC(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000515299704 416695611 /nfs/dbraw/zinc/69/56/11/416695611.db2.gz WITBIYGSJNOVMO-UHFFFAOYSA-N 1 0 319.321 1.159 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000417181044 225234221 /nfs/dbraw/zinc/23/42/21/225234221.db2.gz NTVZMARYHSLMDI-GFCCVEGCSA-N 1 0 308.338 1.140 20 5 DDBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CCCNC2=O)cc1[N+](=O)[O-] ZINC000296611900 226048869 /nfs/dbraw/zinc/04/88/69/226048869.db2.gz WIOAMTLGUVTKMR-JQWIXIFHSA-N 1 0 307.350 1.923 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)n1 ZINC000191632787 222106693 /nfs/dbraw/zinc/10/66/93/222106693.db2.gz PDMPXYUYXRYKGZ-QWRGUYRKSA-N 1 0 309.370 1.223 20 5 DDBDRO Cc1c(NC(=O)CC[N@@H+](C)CC2(CO)CC2)cccc1[N+](=O)[O-] ZINC000190015252 222065635 /nfs/dbraw/zinc/06/56/35/222065635.db2.gz RNJZPPXYLLBJRN-UHFFFAOYSA-N 1 0 321.377 1.936 20 5 DDBDRO O=C(COc1cccc([N+](=O)[O-])c1)N[C@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000361109353 418585974 /nfs/dbraw/zinc/58/59/74/418585974.db2.gz NBUYXCNFJFKSQS-GJZGRUSLSA-N 1 0 319.361 1.478 20 5 DDBDRO C[C@H]1[NH2+]CCC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000193451618 222155744 /nfs/dbraw/zinc/15/57/44/222155744.db2.gz DQWSKYONVCYBDG-HTQZYQBOSA-N 1 0 305.381 1.075 20 5 DDBDRO CC1(C)[C@@H](O)CC[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000361408638 418645845 /nfs/dbraw/zinc/64/58/45/418645845.db2.gz PLLQRABNSLHNKS-LBPRGKRZSA-N 1 0 318.333 1.990 20 5 DDBDRO CCn1cc(CC[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)cn1 ZINC000375724407 418676965 /nfs/dbraw/zinc/67/69/65/418676965.db2.gz VXZIARMAMPIPTL-UHFFFAOYSA-N 1 0 318.381 1.887 20 5 DDBDRO C[C@H](C[NH3+])N(C)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000383018885 418732035 /nfs/dbraw/zinc/73/20/35/418732035.db2.gz MPPKHYZUFSVMRI-SSDOTTSWSA-N 1 0 316.155 1.777 20 5 DDBDRO Cc1ccc(C(=O)N2CCC[N@@H+]([C@H](C)CO)CC2)cc1[N+](=O)[O-] ZINC000364933218 418824661 /nfs/dbraw/zinc/82/46/61/418824661.db2.gz LPDWGZWUWJIPAA-CYBMUJFWSA-N 1 0 321.377 1.432 20 5 DDBDRO O=C(CC[N@H+]1CC[C@](O)(C2CC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000365106188 418838305 /nfs/dbraw/zinc/83/83/05/418838305.db2.gz CKTBLABIQDJKRP-MRXNPFEDSA-N 1 0 319.361 1.770 20 5 DDBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCC(=O)N(C)C1=O ZINC000424310401 228257382 /nfs/dbraw/zinc/25/73/82/228257382.db2.gz CGRHUUVFVZONRO-DGCLKSJQSA-N 1 0 319.361 1.653 20 5 DDBDRO CC1(C)CN(C(=O)NCCc2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000417938183 419401650 /nfs/dbraw/zinc/40/16/50/419401650.db2.gz IZYYBCOQAPUCQH-UHFFFAOYSA-N 1 0 306.366 1.531 20 5 DDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@H](C)C[C@H](CO)C1 ZINC000420950423 419380414 /nfs/dbraw/zinc/38/04/14/419380414.db2.gz WLNMYJIRUJFWIO-UPJWGTAASA-N 1 0 321.377 1.872 20 5 DDBDRO C[C@H](NC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1[N+](=O)[O-] ZINC000417978157 419439783 /nfs/dbraw/zinc/43/97/83/419439783.db2.gz HTKRMFIOJVESCA-SDDRHHMPSA-N 1 0 304.350 1.517 20 5 DDBDRO C[C@H](NC(=O)N[C@H]1CC[NH2+]C[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000417980670 419443175 /nfs/dbraw/zinc/44/31/75/419443175.db2.gz KVCZYBPVWLDZRA-GVXVVHGQSA-N 1 0 306.366 1.953 20 5 DDBDRO CCOc1cc(C[NH2+][C@H](CO)[C@@H]2CCCOC2)ccc1[N+](=O)[O-] ZINC000411993365 419553806 /nfs/dbraw/zinc/55/38/06/419553806.db2.gz ZAQUAJJIIIDPTO-ZIAGYGMSSA-N 1 0 324.377 1.871 20 5 DDBDRO C[C@H](NC(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000418232974 419634385 /nfs/dbraw/zinc/63/43/85/419634385.db2.gz NEJCUJWXSBSLKU-YUTCNCBUSA-N 1 0 318.377 1.907 20 5 DDBDRO C[N@H+]1C[C@H]2CN(C(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)C[C@H]2C1 ZINC000427782261 419735003 /nfs/dbraw/zinc/73/50/03/419735003.db2.gz URXDZNLDMLOPDL-PHIMTYICSA-N 1 0 314.345 1.710 20 5 DDBDRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000418576312 419883007 /nfs/dbraw/zinc/88/30/07/419883007.db2.gz ODGYDASIEMURHL-OCCSQVGLSA-N 1 0 320.393 1.777 20 5 DDBDRO O=C(CN1CCC2(CC[NH2+]C2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000431032334 229000045 /nfs/dbraw/zinc/00/00/45/229000045.db2.gz BIYBOVAFTNMCCT-UHFFFAOYSA-N 1 0 318.377 1.609 20 5 DDBDRO C[C@@H]1C[C@H](NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CC[NH2+]1 ZINC000418609009 419899598 /nfs/dbraw/zinc/89/95/98/419899598.db2.gz SEHJCSAIBOQTEW-BXUZGUMPSA-N 1 0 318.377 1.803 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)CCCCCO ZINC000434661906 229317130 /nfs/dbraw/zinc/31/71/30/229317130.db2.gz AOSMZJJKORIXKC-UHFFFAOYSA-N 1 0 309.366 1.936 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)C1(CO)CCC1 ZINC000429254643 419993980 /nfs/dbraw/zinc/99/39/80/419993980.db2.gz LJIGVPXJKVYJRE-UHFFFAOYSA-N 1 0 307.350 1.689 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[NH2+][C@H](C)[C@H]1C ZINC000436058942 229445519 /nfs/dbraw/zinc/44/55/19/229445519.db2.gz JLQURGLCTRCZPF-CHWSQXEVSA-N 1 0 320.393 1.914 20 5 DDBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@@H](C2CC2)[C@H]2CNCCO2)c1 ZINC000423009068 419978142 /nfs/dbraw/zinc/97/81/42/419978142.db2.gz BXYCWOZUNPSYJI-CVEARBPZSA-N 1 0 305.378 1.494 20 5 DDBDRO C[C@@H](C[NH3+])CN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000423313204 420008486 /nfs/dbraw/zinc/00/84/86/420008486.db2.gz WJMJQOFMRIFMPD-SMDDNHRTSA-N 1 0 303.366 1.602 20 5 DDBDRO CC[C@@H]([NH3+])CNC(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1C ZINC000415595496 420121306 /nfs/dbraw/zinc/12/13/06/420121306.db2.gz HGQFROBQEVQLRD-SNVBAGLBSA-N 1 0 324.337 1.549 20 5 DDBDRO Cc1c(NC(=O)[C@@H](C)N2CC[C@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000430917296 420205374 /nfs/dbraw/zinc/20/53/74/420205374.db2.gz JMJZLGDZPVYVJC-VXGBXAGGSA-N 1 0 306.366 1.511 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000430928934 420210683 /nfs/dbraw/zinc/21/06/83/420210683.db2.gz VUXMJTIRSRFMFW-TXEJJXNPSA-N 1 0 306.366 1.524 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000430929486 420211619 /nfs/dbraw/zinc/21/16/19/420211619.db2.gz XJRKUWALTJKVPL-STQMWFEESA-N 1 0 320.393 1.914 20 5 DDBDRO C[C@@]1(F)C[NH2+]CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000420328166 420212565 /nfs/dbraw/zinc/21/25/65/420212565.db2.gz DXDKJUVDZJMLBW-CQSZACIVSA-N 1 0 310.329 1.167 20 5 DDBDRO CC[C@@]1(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)CCC[NH2+]1 ZINC000423732429 420147589 /nfs/dbraw/zinc/14/75/89/420147589.db2.gz ZKHXRHDFAYGFNZ-AWEZNQCLSA-N 1 0 303.322 1.942 20 5 DDBDRO C[NH2+][C@H]1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000430611920 420158920 /nfs/dbraw/zinc/15/89/20/420158920.db2.gz QCXRQNUBNXFFOF-NSHDSACASA-N 1 0 303.322 1.439 20 5 DDBDRO C[NH2+]C1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000430951917 420221424 /nfs/dbraw/zinc/22/14/24/420221424.db2.gz NLYIQPYQZLHLRG-UHFFFAOYSA-N 1 0 306.366 1.607 20 5 DDBDRO CCOc1ccc(NC(=O)CN2CC[C@H]([NH3+])[C@@H]2C)c([N+](=O)[O-])c1 ZINC000420353252 420231249 /nfs/dbraw/zinc/23/12/49/420231249.db2.gz BPPTUGPECXWTGJ-JQWIXIFHSA-N 1 0 322.365 1.354 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)NC[C@H](C2CC2)[NH+](C)C)c1[N+](=O)[O-] ZINC000433998740 420255849 /nfs/dbraw/zinc/25/58/49/420255849.db2.gz IEWRPJKGQLXCKW-SNVBAGLBSA-N 1 0 309.370 1.511 20 5 DDBDRO COc1ccc(NC(=O)CN2C[C@H](C)[NH2+]C[C@H]2C)c([N+](=O)[O-])c1 ZINC000420402464 420264842 /nfs/dbraw/zinc/26/48/42/420264842.db2.gz QKNVOXGGZFCPMM-WDEREUQCSA-N 1 0 322.365 1.224 20 5 DDBDRO C[C@@H]1CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H](C)[NH2+]1 ZINC000430950486 420218447 /nfs/dbraw/zinc/21/84/47/420218447.db2.gz RMYUKAXMAOTBGA-VXGBXAGGSA-N 1 0 306.366 1.606 20 5 DDBDRO C[C@@]1(F)C[NH2+]CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000420337476 420218918 /nfs/dbraw/zinc/21/89/18/420218918.db2.gz QVEINZUFVPISFT-OAHLLOKOSA-N 1 0 324.356 1.557 20 5 DDBDRO C[C@H]1CN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C[C@H]1[NH3+] ZINC000423989983 420294473 /nfs/dbraw/zinc/29/44/73/420294473.db2.gz YYBVIIDKJAFRQC-CMPLNLGQSA-N 1 0 315.333 1.200 20 5 DDBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000420448538 420294978 /nfs/dbraw/zinc/29/49/78/420294978.db2.gz ROYARQHXGOKUSD-NSHDSACASA-N 1 0 313.379 1.405 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC2(CNC(=O)N2C)CC1 ZINC000425371728 420366505 /nfs/dbraw/zinc/36/65/05/420366505.db2.gz LZXSKZBELDBWPH-UHFFFAOYSA-N 1 0 318.377 1.893 20 5 DDBDRO Cc1ccc(F)c(C[N@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000444745341 230130270 /nfs/dbraw/zinc/13/02/70/230130270.db2.gz QRQUEXMIRRWIMM-CQSZACIVSA-N 1 0 322.340 1.732 20 5 DDBDRO Cc1c(CC(=O)N2CC[N@@H+](C)CC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000438840396 420467354 /nfs/dbraw/zinc/46/73/54/420467354.db2.gz YUFFYOBXKPXSNE-LBPRGKRZSA-N 1 0 305.378 1.998 20 5 DDBDRO C[C@H]1C[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])s2)CC[NH2+]1 ZINC000447252657 230352144 /nfs/dbraw/zinc/35/21/44/230352144.db2.gz SIOJVNDIUXRVSU-YUMQZZPRSA-N 1 0 305.381 1.075 20 5 DDBDRO Cc1ccc(NCCCNC(=O)N(C)[C@H](C)C[NH3+])c([N+](=O)[O-])c1 ZINC000417714874 420458908 /nfs/dbraw/zinc/45/89/08/420458908.db2.gz JAJXYVLVGLCTJG-GFCCVEGCSA-N 1 0 323.397 1.694 20 5 DDBDRO C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000439358397 420508697 /nfs/dbraw/zinc/50/86/97/420508697.db2.gz XXWWRZQHSXMRGG-NSHDSACASA-N 1 0 320.349 1.086 20 5 DDBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NCC[N@H+]1CC=CCC1 ZINC000492320558 420523463 /nfs/dbraw/zinc/52/34/63/420523463.db2.gz PDKNPYHIXIOLLY-TWGQIWQCSA-N 1 0 301.346 1.986 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])c(NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)n1 ZINC000450797804 420532987 /nfs/dbraw/zinc/53/29/87/420532987.db2.gz XOZGYHMEWBABHW-BETUJISGSA-N 1 0 306.366 1.882 20 5 DDBDRO C[C@@H]1C[NH2+]CC[C@H]1NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000440808219 420607976 /nfs/dbraw/zinc/60/79/76/420607976.db2.gz JZBNOTYIAHETDC-ZWNOBZJWSA-N 1 0 313.379 1.012 20 5 DDBDRO C[C@H]1C[N@H+](CCO)CCN1c1ccnc2c1cccc2[N+](=O)[O-] ZINC000450949263 420566950 /nfs/dbraw/zinc/56/69/50/420566950.db2.gz AMDUUSOZTPNQDQ-LBPRGKRZSA-N 1 0 316.361 1.646 20 5 DDBDRO CC(C)(C[NH+]1CCCC1)Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000450951490 420568134 /nfs/dbraw/zinc/56/81/34/420568134.db2.gz QASMKEKSUILNHG-UHFFFAOYSA-N 1 0 307.354 1.375 20 5 DDBDRO Cc1cc(C)c(S(=O)(=O)NC[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000440835471 420611493 /nfs/dbraw/zinc/61/14/93/420611493.db2.gz DABVZLORFCCYES-LLVKDONJSA-N 1 0 313.379 1.099 20 5 DDBDRO C[C@H]1C[C@@H](O)C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000452068543 420619895 /nfs/dbraw/zinc/61/98/95/420619895.db2.gz OSUXFJMZOKOXFF-SMDDNHRTSA-N 1 0 307.350 1.626 20 5 DDBDRO COC(=O)[C@H]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H]1C ZINC000444700029 420759815 /nfs/dbraw/zinc/75/98/15/420759815.db2.gz FOSHXCNRDUJYOA-ONGXEEELSA-N 1 0 318.333 1.855 20 5 DDBDRO C[C@H]1C[C@@H](C[NH3+])CN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000442777260 420713148 /nfs/dbraw/zinc/71/31/48/420713148.db2.gz IQKVSHOXINXLKA-QWRGUYRKSA-N 1 0 317.349 1.814 20 5 DDBDRO O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000493386942 420835584 /nfs/dbraw/zinc/83/55/84/420835584.db2.gz OQWWCHCLQNIMIM-VQGWDMPSSA-N 1 0 319.336 1.815 20 5 DDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CN(C)CCN1C ZINC000449138852 420958858 /nfs/dbraw/zinc/95/88/58/420958858.db2.gz JEMXUEFKZVUKRL-ZFWWWQNUSA-N 1 0 306.410 1.361 20 5 DDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC(=O)N(C2CC2)C1 ZINC000449223012 420972098 /nfs/dbraw/zinc/97/20/98/420972098.db2.gz IYYWOMVUKNSYNM-AAEUAGOBSA-N 1 0 303.362 1.879 20 5 DDBDRO CNc1nc(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000454790628 420924922 /nfs/dbraw/zinc/92/49/22/420924922.db2.gz CSQSASTUJPHKQR-GHMZBOCLSA-N 1 0 319.365 1.388 20 5 DDBDRO O=C(COc1ccccc1[N+](=O)[O-])N[C@H]1C[NH2+]CCC1(F)F ZINC000449657232 421048654 /nfs/dbraw/zinc/04/86/54/421048654.db2.gz OEHFGLQJELDQPG-NSHDSACASA-N 1 0 315.276 1.087 20 5 DDBDRO CNc1nc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000455769100 421059571 /nfs/dbraw/zinc/05/95/71/421059571.db2.gz YUSJAPJMERAGML-VHSXEESVSA-N 1 0 307.354 1.244 20 5 DDBDRO CNc1nc(C(=O)N2CCC[C@@H]2C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000455363574 421003490 /nfs/dbraw/zinc/00/34/90/421003490.db2.gz XRYUYDSKNOCAPD-SNVBAGLBSA-N 1 0 307.354 1.198 20 5 DDBDRO CCCN1CCN(C(=O)c2ccc([N+](=O)[O-])c(NC)n2)CC1 ZINC000455461574 421019392 /nfs/dbraw/zinc/01/93/92/421019392.db2.gz OPIYCAXIGANXRN-UHFFFAOYSA-N 1 0 307.354 1.199 20 5 DDBDRO C[C@@H]1C[C@H]1C[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000488427806 421089754 /nfs/dbraw/zinc/08/97/54/421089754.db2.gz YLUYGWGHQMLLDM-MNOVXSKESA-N 1 0 313.379 1.119 20 5 DDBDRO [NH3+]C[C@H]1CC[C@@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000449715271 421066521 /nfs/dbraw/zinc/06/65/21/421066521.db2.gz IRXYJPCYWCQGQO-NWDGAFQWSA-N 1 0 307.350 1.607 20 5 DDBDRO [NH3+]CC[C@H](NC(=O)COc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000449727399 421069775 /nfs/dbraw/zinc/06/97/75/421069775.db2.gz PQAIQOHZOGNYCI-JTQLQIEISA-N 1 0 321.255 1.370 20 5 DDBDRO CC(C)[C@H]1CN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000488177658 421074201 /nfs/dbraw/zinc/07/42/01/421074201.db2.gz FZZUUTDAIFQADI-OAHLLOKOSA-N 1 0 320.393 1.805 20 5 DDBDRO COc1ccc(CC(=O)N[C@H](C)Cn2ccnc2)cc1[N+](=O)[O-] ZINC000524312656 421258155 /nfs/dbraw/zinc/25/81/55/421258155.db2.gz AUDKZXMMKMEUGQ-LLVKDONJSA-N 1 0 318.333 1.547 20 5 DDBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000563168987 421466699 /nfs/dbraw/zinc/46/66/99/421466699.db2.gz CWLGFNNJLPWWEP-RKDXNWHRSA-N 1 0 309.322 1.222 20 5 DDBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000567625554 421612967 /nfs/dbraw/zinc/61/29/67/421612967.db2.gz SMZINUMZBXQOMT-JTQLQIEISA-N 1 0 307.354 1.176 20 5 DDBDRO O=C(CC[NH2+]CC1=CCOCC1)Nc1ccccc1[N+](=O)[O-] ZINC000570325556 421639570 /nfs/dbraw/zinc/63/95/70/421639570.db2.gz ZOIYYOFJWUSDSW-UHFFFAOYSA-N 1 0 305.334 1.860 20 5 DDBDRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000531633386 421640559 /nfs/dbraw/zinc/64/05/59/421640559.db2.gz NSUPXZBNLWTDIF-ZDUSSCGKSA-N 1 0 322.365 1.076 20 5 DDBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000531633530 421641485 /nfs/dbraw/zinc/64/14/85/421641485.db2.gz NDULVJMSKQAJKN-LBPRGKRZSA-N 1 0 306.366 1.794 20 5 DDBDRO CN1C[C@H]([N@H+](C)CCOc2ccccc2[N+](=O)[O-])CCC1=O ZINC000518674174 421662359 /nfs/dbraw/zinc/66/23/59/421662359.db2.gz BPDYIODSOXWSLV-GFCCVEGCSA-N 1 0 307.350 1.526 20 5 DDBDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 ZINC000519823061 421732849 /nfs/dbraw/zinc/73/28/49/421732849.db2.gz NCBMCILWCBQUJP-UWVGGRQHSA-N 1 0 321.333 1.175 20 5 DDBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](CCC3(O)CCC3)C2)nc1 ZINC000520531259 421754538 /nfs/dbraw/zinc/75/45/38/421754538.db2.gz HXAWEFMGTVSIGW-LBPRGKRZSA-N 1 0 306.366 1.781 20 5 DDBDRO O=C(CC[NH2+][C@H]1CCC[C@H]1CO)Nc1ccccc1[N+](=O)[O-] ZINC000572642892 421808307 /nfs/dbraw/zinc/80/83/07/421808307.db2.gz BZMUZQOMZDYECF-RYUDHWBXSA-N 1 0 307.350 1.674 20 5 DDBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000542651508 421826315 /nfs/dbraw/zinc/82/63/15/421826315.db2.gz GJAKEZXNICBHNP-AWEZNQCLSA-N 1 0 305.378 1.985 20 5 DDBDRO CN(CCC[NH+](C)C)C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000558957276 421827855 /nfs/dbraw/zinc/82/78/55/421827855.db2.gz STPDKTJMPSISGX-UHFFFAOYSA-N 1 0 315.320 1.826 20 5 DDBDRO CC[N@H+](CCNC(=O)c1c[nH]nc1[N+](=O)[O-])CCC(F)(F)F ZINC000559041098 421829526 /nfs/dbraw/zinc/82/95/26/421829526.db2.gz PTWXUWUKZVZTNK-UHFFFAOYSA-N 1 0 323.275 1.322 20 5 DDBDRO NC(=O)c1cccc(NC[C@H]2CC[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000557520163 421773968 /nfs/dbraw/zinc/77/39/68/421773968.db2.gz WBQWURCPHWKIKJ-SNVBAGLBSA-N 1 0 304.350 1.590 20 5 DDBDRO C[NH2+]C[C@](C)(O)CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000581731066 422036673 /nfs/dbraw/zinc/03/66/73/422036673.db2.gz JLBDRQLXECWRIV-INIZCTEOSA-N 1 0 323.393 1.408 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)n1 ZINC000574396372 422100376 /nfs/dbraw/zinc/10/03/76/422100376.db2.gz XULJQNBKSMWOTL-LBPRGKRZSA-N 1 0 321.381 1.415 20 5 DDBDRO CC(C)(C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)n1cc([N+](=O)[O-])cn1 ZINC000583559340 422184786 /nfs/dbraw/zinc/18/47/86/422184786.db2.gz DCWJEZDRSDFXDE-HNNXBMFYSA-N 1 0 321.381 1.129 20 5 DDBDRO CC1(C)[C@H]([NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000582189288 422129071 /nfs/dbraw/zinc/12/90/71/422129071.db2.gz LPPQYHQVQZUOND-OLZOCXBDSA-N 1 0 307.350 1.672 20 5 DDBDRO CCC[NH+]1CCC(NC(=O)c2ccnc(N)c2[N+](=O)[O-])CC1 ZINC000577384682 422384436 /nfs/dbraw/zinc/38/44/36/422384436.db2.gz GSGVDXFKOCRASX-UHFFFAOYSA-N 1 0 307.354 1.176 20 5 DDBDRO COCC[N@H+](C)CCCNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000611701149 422478838 /nfs/dbraw/zinc/47/88/38/422478838.db2.gz OQQUWSQHULHMQM-UHFFFAOYSA-N 1 0 319.365 1.918 20 5 DDBDRO Cc1ccc(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])cn1 ZINC000578933111 422674467 /nfs/dbraw/zinc/67/44/67/422674467.db2.gz PGBBBCSRGLOCCZ-AWEZNQCLSA-N 1 0 317.345 1.828 20 5 DDBDRO CO[C@@H]1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)[C@H](C[NH3+])C1 ZINC000322042560 271027415 /nfs/dbraw/zinc/02/74/15/271027415.db2.gz GVCIODDAZQPHJH-SJPZSHDVSA-N 1 0 319.361 1.573 20 5 DDBDRO CO[C@@H]1CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)[C@H](C[NH3+])C1 ZINC000322042557 271027645 /nfs/dbraw/zinc/02/76/45/271027645.db2.gz GVCIODDAZQPHJH-FEGLDZKKSA-N 1 0 319.361 1.573 20 5 DDBDRO CNc1c(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cccc1[N+](=O)[O-] ZINC000322936697 271031152 /nfs/dbraw/zinc/03/11/52/271031152.db2.gz PTAGXGPVSUQLEZ-YOGCLGLASA-N 1 0 318.377 1.992 20 5 DDBDRO CN(C)c1nccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)n1 ZINC000342405628 271404794 /nfs/dbraw/zinc/40/47/94/271404794.db2.gz UEFLZUBWWMICSK-UHFFFAOYSA-N 1 0 301.350 1.783 20 5 DDBDRO C[C@H](C[NH+](C)C)NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000344874579 272134325 /nfs/dbraw/zinc/13/43/25/272134325.db2.gz CLBVJUBOSDMCTD-MRVPVSSYSA-N 1 0 321.786 1.477 20 5 DDBDRO [NH3+][C@H]1CCCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000346049713 272399472 /nfs/dbraw/zinc/39/94/72/272399472.db2.gz ZUFVLCKRTMNOKM-SMDDNHRTSA-N 1 0 304.350 1.123 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000347532502 272713999 /nfs/dbraw/zinc/71/39/99/272713999.db2.gz XWNOYYVYYUXXPQ-UHFFFAOYSA-N 1 0 309.370 1.132 20 5 DDBDRO COCC[N@H+]1[C@H](C)CN(c2cc(C)c([N+](=O)[O-])cn2)C[C@@H]1C ZINC000131925867 274034788 /nfs/dbraw/zinc/03/47/88/274034788.db2.gz MMIIGQWQCIERBK-BETUJISGSA-N 1 0 308.382 1.844 20 5 DDBDRO COC[C@@](C)([NH3+])CNc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000278448443 274046926 /nfs/dbraw/zinc/04/69/26/274046926.db2.gz RILLBJZSDNHRIS-JTQLQIEISA-N 1 0 308.260 1.784 20 5 DDBDRO CS[C@@H]1CN(c2ccc3ncc([N+](=O)[O-])n3n2)C[C@H]1[NH+](C)C ZINC000340732354 274182896 /nfs/dbraw/zinc/18/28/96/274182896.db2.gz ACMHUUOGKDEPLM-NXEZZACHSA-N 1 0 322.394 1.119 20 5 DDBDRO C[C@@H](CO)[C@H](C)[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000274013353 274228801 /nfs/dbraw/zinc/22/88/01/274228801.db2.gz LZYDNRJLSWHIHR-UWVGGRQHSA-N 1 0 306.322 1.751 20 5 DDBDRO C[C@H]1CCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)[C@@H](C[NH3+])C1 ZINC000420259018 274563501 /nfs/dbraw/zinc/56/35/01/274563501.db2.gz LFWPIJWBSCWJES-GXSJLCMTSA-N 1 0 317.349 1.807 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CC([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000134884154 274666463 /nfs/dbraw/zinc/66/64/63/274666463.db2.gz MEIMKMXIANCKFL-UHFFFAOYSA-N 1 0 308.294 1.197 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@](C)(C(N)=O)C(C)C ZINC000459474085 274797111 /nfs/dbraw/zinc/79/71/11/274797111.db2.gz FFRGKMGXCRTNCO-HNNXBMFYSA-N 1 0 322.365 1.331 20 5 DDBDRO CCC[NH2+][C@H](C)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000294668136 276018388 /nfs/dbraw/zinc/01/83/88/276018388.db2.gz DEFMADKNLAZDHR-CYBMUJFWSA-N 1 0 320.393 1.632 20 5 DDBDRO CC[N@H+](CCNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C)C1CC1 ZINC000078496216 276130066 /nfs/dbraw/zinc/13/00/66/276130066.db2.gz UGIMIBVKHLLYMQ-UHFFFAOYSA-N 1 0 320.393 1.875 20 5 DDBDRO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000269468883 276377401 /nfs/dbraw/zinc/37/74/01/276377401.db2.gz ILVNMBIWUOUDBK-NSHDSACASA-N 1 0 323.397 1.998 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CCC[C@H]([NH+](C)C)CC2)n1 ZINC000287714619 277436970 /nfs/dbraw/zinc/43/69/70/277436970.db2.gz KWFVCIKCBAXGRI-NSHDSACASA-N 1 0 322.365 1.697 20 5 DDBDRO CC(C)c1ccc(C(=O)N2CCO[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000423542496 278025892 /nfs/dbraw/zinc/02/58/92/278025892.db2.gz UBFLBFQQVCSEFQ-GFCCVEGCSA-N 1 0 307.350 1.518 20 5 DDBDRO CCCN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000261953509 278797041 /nfs/dbraw/zinc/79/70/41/278797041.db2.gz NQRMOUJYDFVOCX-CYBMUJFWSA-N 1 0 306.366 1.268 20 5 DDBDRO C[C@H](C[NH3+])CNC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000418479404 279286937 /nfs/dbraw/zinc/28/69/37/279286937.db2.gz YSVCQVCNMBJUDF-GFCCVEGCSA-N 1 0 321.381 1.021 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)CS(C)(=O)=O ZINC000449148625 279382409 /nfs/dbraw/zinc/38/24/09/279382409.db2.gz UBHBUDCAZWKHJU-MNOVXSKESA-N 1 0 300.380 1.549 20 5 DDBDRO [NH3+][C@@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000237985053 279677840 /nfs/dbraw/zinc/67/78/40/279677840.db2.gz QKQORRQEQZXTOM-MRVPVSSYSA-N 1 0 303.240 1.787 20 5 DDBDRO O=C(N[C@@H]1C[NH2+]CCC1(F)F)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000449658210 279925655 /nfs/dbraw/zinc/92/56/55/279925655.db2.gz SDFZGYOFPAVGLR-SNVBAGLBSA-N 1 0 319.695 1.975 20 5 DDBDRO CC[C@@H](O)[C@H]1CCCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000114188018 280210978 /nfs/dbraw/zinc/21/09/78/280210978.db2.gz FXFZWVBSSBXKJX-UKRRQHHQSA-N 1 0 321.377 1.819 20 5 DDBDRO COC(=O)[C@H](O)C1CC[NH+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000135373774 281586478 /nfs/dbraw/zinc/58/64/78/281586478.db2.gz PYRPPUGCTDTNHI-IAQYHMDHSA-N 1 0 322.361 1.902 20 5 DDBDRO C[C@@H]1C[C@H](C)N(C(=O)COc2ccccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000424050380 288657465 /nfs/dbraw/zinc/65/74/65/288657465.db2.gz CSPNJMPYGVCLLA-FRRDWIJNSA-N 1 0 321.377 1.805 20 5 DDBDRO C[C@@H]1C[C@H](C)N(C(=O)c2cccc([N+](=O)[O-])c2N)C[C@H]1C[NH3+] ZINC000424083186 288660997 /nfs/dbraw/zinc/66/09/97/288660997.db2.gz YAAKJKCDBQHFPV-OUAUKWLOSA-N 1 0 306.366 1.622 20 5 DDBDRO C[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000321647523 298258853 /nfs/dbraw/zinc/25/88/53/298258853.db2.gz PSBPLXJUYUYHBP-DOMZBBRYSA-N 1 0 318.377 1.241 20 5 DDBDRO Cc1nc(N2CC[C@@H](C3CC[NH+](C)CC3)C2)ncc1[N+](=O)[O-] ZINC000573416007 304593367 /nfs/dbraw/zinc/59/33/67/304593367.db2.gz QWJLWMBFPUKZSK-CYBMUJFWSA-N 1 0 305.382 1.861 20 5 DDBDRO Cn1c(Sc2ncc([N+](=O)[O-])cn2)nnc1[C@H]1CCC[NH2+]C1 ZINC000354610656 298479729 /nfs/dbraw/zinc/47/97/29/298479729.db2.gz WVRZNVLOOMVHFV-QMMMGPOBSA-N 1 0 321.366 1.132 20 5 DDBDRO C[C@H]([NH3+])[C@H](C)N[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000423472824 298992009 /nfs/dbraw/zinc/99/20/09/298992009.db2.gz QJMVVZYNQQDIGL-MJVIPROJSA-N 1 0 303.366 1.743 20 5 DDBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@@H](O)[C@H]1CCOC1)C1CC1 ZINC000358052700 299058318 /nfs/dbraw/zinc/05/83/18/299058318.db2.gz YLWVNQNZQDQMMK-YQQAZPJKSA-N 1 0 320.389 1.903 20 5 DDBDRO COCCO[C@@H]1COCC[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000362515668 300083631 /nfs/dbraw/zinc/08/36/31/300083631.db2.gz ITONMCAIUZJNHW-LSDHHAIUSA-N 1 0 310.350 1.505 20 5 DDBDRO O=C(CCn1cc([N+](=O)[O-])cn1)N1CCC([NH+]2CCCC2)CC1 ZINC000362877121 300167969 /nfs/dbraw/zinc/16/79/69/300167969.db2.gz CTRWHFGQLBOSOV-UHFFFAOYSA-N 1 0 321.381 1.268 20 5 DDBDRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000427968838 300224155 /nfs/dbraw/zinc/22/41/55/300224155.db2.gz VHDAEBSRGVCDHV-SMDDNHRTSA-N 1 0 319.361 1.514 20 5 DDBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C[C@@H](O)C2(CC2)C1 ZINC000364435551 300396726 /nfs/dbraw/zinc/39/67/26/300396726.db2.gz SPKBFIKBSMPKSJ-GXFFZTMASA-N 1 0 305.334 1.379 20 5 DDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C[C@H](O)C2(CC2)C1 ZINC000364435553 300396782 /nfs/dbraw/zinc/39/67/82/300396782.db2.gz SPKBFIKBSMPKSJ-MFKMUULPSA-N 1 0 305.334 1.379 20 5 DDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCC1CC[NH2+]CC1 ZINC000574787366 304684244 /nfs/dbraw/zinc/68/42/44/304684244.db2.gz SFHJYWSNFGPTCZ-UHFFFAOYSA-N 1 0 306.366 1.736 20 5 DDBDRO Cc1n[nH]c(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000299569308 300898530 /nfs/dbraw/zinc/89/85/30/300898530.db2.gz VSMKMJIHPLJPOA-GFCCVEGCSA-N 1 0 317.349 1.659 20 5 DDBDRO O=C(N[C@@H]1CCC[NH2+]CC1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000368710412 301079876 /nfs/dbraw/zinc/07/98/76/301079876.db2.gz SRQSHFRTRSNJLF-SECBINFHSA-N 1 0 303.322 1.343 20 5 DDBDRO CN1CC[NH+](C[C@@H]2CCCN(c3ncccc3[N+](=O)[O-])C2)CC1 ZINC000369027629 301121303 /nfs/dbraw/zinc/12/13/03/301121303.db2.gz PSHMFEFJUPZKPX-AWEZNQCLSA-N 1 0 319.409 1.454 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[NH+]2CCC(OC3CCOCC3)CC2)c1 ZINC000369995053 301254088 /nfs/dbraw/zinc/25/40/88/301254088.db2.gz JLBKDLZSRYVMKB-UHFFFAOYSA-N 1 0 324.381 1.451 20 5 DDBDRO C[C@H]1C[N@@H+](C2CCN(Cc3c([N+](=O)[O-])ncn3C)CC2)CCO1 ZINC000370055777 301268047 /nfs/dbraw/zinc/26/80/47/301268047.db2.gz MYYFBSUGLAEDII-LBPRGKRZSA-N 1 0 323.397 1.013 20 5 DDBDRO O=C(NC[C@H]1CCC[C@@H]1[NH+]1CCOCC1)c1ccc([N+](=O)[O-])o1 ZINC000370759169 301386687 /nfs/dbraw/zinc/38/66/87/301386687.db2.gz MGZRZMIQMHCJHH-NEPJUHHUSA-N 1 0 323.349 1.419 20 5 DDBDRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1cccc([N+](=O)[O-])c1 ZINC000377468632 302182107 /nfs/dbraw/zinc/18/21/07/302182107.db2.gz CIDNPQDIYJATOW-KBPBESRZSA-N 1 0 305.334 1.188 20 5 DDBDRO Cc1cccc(C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1[N+](=O)[O-] ZINC000377481538 302183757 /nfs/dbraw/zinc/18/37/57/302183757.db2.gz LZKAHZGMXOUWRT-OLZOCXBDSA-N 1 0 319.361 1.496 20 5 DDBDRO CC(C)[C@@]1(CO)CC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000377651842 302203921 /nfs/dbraw/zinc/20/39/21/302203921.db2.gz KGAWZKZZVPQTKD-CVEARBPZSA-N 1 0 308.378 1.969 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1CN1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000377688049 302212174 /nfs/dbraw/zinc/21/21/74/302212174.db2.gz BOTNKCMUSLNWCJ-GXTWGEPZSA-N 1 0 310.375 1.522 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC(C)(C)CC[NH3+] ZINC000397170398 302352495 /nfs/dbraw/zinc/35/24/95/302352495.db2.gz DMIXIOCRSYUFRN-UHFFFAOYSA-N 1 0 301.368 1.309 20 5 DDBDRO C[NH+]1CCC(O)(CNC(=O)/C=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000397537742 302355386 /nfs/dbraw/zinc/35/53/86/302355386.db2.gz QSRUPNOJTAQKQQ-WAYWQWQTSA-N 1 0 319.361 1.181 20 5 DDBDRO CC(C)Oc1nc(N2CC[C@H]3C[NH2+]C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000516191008 302786612 /nfs/dbraw/zinc/78/66/12/302786612.db2.gz AGUAOWITURZWBO-RYUDHWBXSA-N 1 0 306.366 1.823 20 5 DDBDRO Cc1nn(CCC(=O)NC[C@@H](C)[NH+]2CCCC2)c(C)c1[N+](=O)[O-] ZINC000523224024 302895140 /nfs/dbraw/zinc/89/51/40/302895140.db2.gz HTIGIYYMNPPVBN-LLVKDONJSA-N 1 0 323.397 1.399 20 5 DDBDRO C[C@H]1C[N@@H+]([C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C[C@H]1C ZINC000531441815 303245506 /nfs/dbraw/zinc/24/55/06/303245506.db2.gz CWYXEIQKQVCLPK-UHIISALHSA-N 1 0 317.345 1.815 20 5 DDBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cc([N+](=O)[O-])cn1C ZINC000540890981 303410439 /nfs/dbraw/zinc/41/04/39/303410439.db2.gz FDZJNHPNBZWGSJ-NSHDSACASA-N 1 0 308.382 1.736 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC000362644507 307023421 /nfs/dbraw/zinc/02/34/21/307023421.db2.gz RXULOAZCXQIHFN-GXFFZTMASA-N 1 0 307.350 1.417 20 5 DDBDRO CC1(O)C[C@H]2CC[C@@H](C1)[N@H+]2CCn1cc([N+](=O)[O-])ccc1=O ZINC000367141082 307086894 /nfs/dbraw/zinc/08/68/94/307086894.db2.gz NYMLSWSDHZTHAC-ODOQXGPZSA-N 1 0 307.350 1.134 20 5 DDBDRO CC(=O)c1cc(N2CCC[N@@H+]([C@H](C)CO)CC2)ccc1[N+](=O)[O-] ZINC000367449999 307093978 /nfs/dbraw/zinc/09/39/78/307093978.db2.gz GEAGKCHGIABNAW-GFCCVEGCSA-N 1 0 321.377 1.690 20 5 DDBDRO O=C(NC1CC[NH+](Cc2ccsc2)CC1)[C@@H]1C[C@@H]1[N+](=O)[O-] ZINC000371664638 307155712 /nfs/dbraw/zinc/15/57/12/307155712.db2.gz WJSVTCAFOVYNQP-OLZOCXBDSA-N 1 0 309.391 1.494 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)n1 ZINC000373142414 307180453 /nfs/dbraw/zinc/18/04/53/307180453.db2.gz TWHLPVPDYYFKIS-KBPBESRZSA-N 1 0 308.382 1.930 20 5 DDBDRO O=C(COc1ccccc1[N+](=O)[O-])N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000373938680 307198139 /nfs/dbraw/zinc/19/81/39/307198139.db2.gz OGZYIQHHQBBERN-CHWSQXEVSA-N 1 0 319.361 1.717 20 5 DDBDRO O=[N+]([O-])c1cnc(N2CCC[C@H]2C[N@H+]2CCC[C@@H]2CO)s1 ZINC000374490963 307209082 /nfs/dbraw/zinc/20/90/82/307209082.db2.gz XWLYQRBPCMUFOL-WDEREUQCSA-N 1 0 312.395 1.477 20 5 DDBDRO O=C(C[NH2+][C@H]1CCO[C@H]1C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000375440612 307226709 /nfs/dbraw/zinc/22/67/09/307226709.db2.gz YCTPYWFENONTTA-WFASDCNBSA-N 1 0 305.334 1.690 20 5 DDBDRO Cc1ncccc1O[C@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000375976403 307237323 /nfs/dbraw/zinc/23/73/23/307237323.db2.gz PAMCZJSOBSAGQH-AWEZNQCLSA-N 1 0 317.349 1.648 20 5 DDBDRO O=C(NC[C@H]1C[NH2+]CCCO1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000390124201 307293619 /nfs/dbraw/zinc/29/36/19/307293619.db2.gz FZLGFUMOWAGROZ-SNVBAGLBSA-N 1 0 313.741 1.357 20 5 DDBDRO CO[C@H]1C[C@@H](N(C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000510171486 307398937 /nfs/dbraw/zinc/39/89/37/307398937.db2.gz ZMWXZBODZKNBCN-OKILXGFUSA-N 1 0 307.350 1.667 20 5 DDBDRO CC(C)[C@@H](C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)[C@@H](C)[NH3+] ZINC000519823341 307454822 /nfs/dbraw/zinc/45/48/22/307454822.db2.gz OUJAVJYSWGUSSQ-BXUZGUMPSA-N 1 0 323.397 1.574 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CN1CCC[C@@]12CCNC2=O ZINC000565170806 308022630 /nfs/dbraw/zinc/02/26/30/308022630.db2.gz KGFCJNMHDQAXQA-HNNXBMFYSA-N 1 0 305.334 1.458 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H]2CCCCC[C@H]2O)c1 ZINC000565595814 308034223 /nfs/dbraw/zinc/03/42/23/308034223.db2.gz CHCHATKGCHCQRK-FVQBIDKESA-N 1 0 324.377 1.618 20 5 DDBDRO CC[NH2+]CCCNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000566067403 308042288 /nfs/dbraw/zinc/04/22/88/308042288.db2.gz BKJUGWVQAGRIFW-UHFFFAOYSA-N 1 0 317.349 1.510 20 5 DDBDRO CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000567302118 308077321 /nfs/dbraw/zinc/07/73/21/308077321.db2.gz CMERLAUOJYZDDP-NSHDSACASA-N 1 0 309.370 1.573 20 5 DDBDRO C[C@H](C[C@@H]1CCCO1)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000567681720 308089372 /nfs/dbraw/zinc/08/93/72/308089372.db2.gz ZZYDPYVAQNJFLX-SNPRPXQTSA-N 1 0 324.377 1.882 20 5 DDBDRO CNc1ccc(C(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000572932666 308226413 /nfs/dbraw/zinc/22/64/13/308226413.db2.gz LSULSESLIOACHR-SMDDNHRTSA-N 1 0 304.350 1.413 20 5 DDBDRO C[C@H](C(=O)NCCOCC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000573544269 308243720 /nfs/dbraw/zinc/24/37/20/308243720.db2.gz FJURIEUYMWNNOQ-LBPRGKRZSA-N 1 0 309.366 1.393 20 5 DDBDRO CC(C)(C(=O)N1CC2CCC1(C[NH3+])CC2)n1cc([N+](=O)[O-])cn1 ZINC000578139345 308440768 /nfs/dbraw/zinc/44/07/68/308440768.db2.gz FFXXAPSAKPZWMO-UHFFFAOYSA-N 1 0 321.381 1.256 20 5 DDBDRO COc1ccc(CC(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000578231387 308447428 /nfs/dbraw/zinc/44/74/28/308447428.db2.gz PWBWTFDXMBUAIG-AAEUAGOBSA-N 1 0 321.377 1.589 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000382417558 325744547 /nfs/dbraw/zinc/74/45/47/325744547.db2.gz IAIZNZHPOQDDRD-WDEREUQCSA-N 1 0 313.379 1.451 20 5 DDBDRO CS(=O)(=O)c1cccc(N[C@@H]2CC[C@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC000382462644 325745067 /nfs/dbraw/zinc/74/50/67/325745067.db2.gz XJCVCFJPPZERNJ-VHSXEESVSA-N 1 0 313.379 1.538 20 5 DDBDRO COCC1(C(=O)Nc2cccc([N+](=O)[O-])c2C)CC[NH2+]CC1 ZINC000389752897 325776749 /nfs/dbraw/zinc/77/67/49/325776749.db2.gz QLBVWZMTSAHVND-UHFFFAOYSA-N 1 0 307.350 1.858 20 5 DDBDRO C[NH2+]CCSCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000581367989 325839345 /nfs/dbraw/zinc/83/93/45/325839345.db2.gz DWAGJNPCLQGOEW-UHFFFAOYSA-N 1 0 313.335 1.215 20 5 DDBDRO C[C@@H](C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)N(C)C1CC1 ZINC000581809523 325916011 /nfs/dbraw/zinc/91/60/11/325916011.db2.gz MIRCCKBIZRWSJD-SWLSCSKDSA-N 1 0 323.393 1.407 20 5 DDBDRO CC(C)[C@@H](C(=O)NCCOc1ccc([N+](=O)[O-])cc1)[C@@H](C)[NH3+] ZINC000583434665 332406066 /nfs/dbraw/zinc/40/60/66/332406066.db2.gz ANABZEQRTXSUSG-BXUZGUMPSA-N 1 0 309.366 1.709 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000582661742 337117336 /nfs/dbraw/zinc/11/73/36/337117336.db2.gz XXOMUSWVUFJNFN-MRXNPFEDSA-N 1 0 319.361 1.576 20 5 DDBDRO Cc1c(NC(=O)CC[N@H+]2CC[C@@H](CO)[C@H]2C)cccc1[N+](=O)[O-] ZINC000488809133 484220362 /nfs/dbraw/zinc/22/03/62/484220362.db2.gz SXAZSOFZCYXMOS-OLZOCXBDSA-N 1 0 321.377 1.935 20 5 DDBDRO COCC[N@@H+]1CC[C@H](Nc2nc3sccn3c2[N+](=O)[O-])C1 ZINC000264557244 490711147 /nfs/dbraw/zinc/71/11/47/490711147.db2.gz DTSVVXDZCKWFNA-VIFPVBQESA-N 1 0 311.367 1.437 20 5 DDBDRO C[C@H](CNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000294526585 534075059 /nfs/dbraw/zinc/07/50/59/534075059.db2.gz WUYKIAHIUPZFBK-LLVKDONJSA-N 1 0 307.350 1.624 20 5 DDBDRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000417233832 534080392 /nfs/dbraw/zinc/08/03/92/534080392.db2.gz OPMUQGYAQKRUOZ-RISCZKNCSA-N 1 0 306.366 1.435 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000415514159 534337094 /nfs/dbraw/zinc/33/70/94/534337094.db2.gz BPTNQYSFXCJZKW-QWRGUYRKSA-N 1 0 320.349 1.037 20 5 DDBDRO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C[C@@H](C)[NH2+]1 ZINC000422832546 534423883 /nfs/dbraw/zinc/42/38/83/534423883.db2.gz XXOMVRQBSYNTMP-GHMZBOCLSA-N 1 0 314.345 1.965 20 5 DDBDRO NC(=O)c1ccc(C[N@@H+]2CC[C@H](O)C23CCCC3)c([N+](=O)[O-])c1 ZINC000292587734 534481149 /nfs/dbraw/zinc/48/11/49/534481149.db2.gz CSOCDEPWPDQTHH-AWEZNQCLSA-N 1 0 319.361 1.573 20 5 DDBDRO [NH3+]CC[C@@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000449730485 534640331 /nfs/dbraw/zinc/64/03/31/534640331.db2.gz QZJRPUDTVAGBHG-LLVKDONJSA-N 1 0 319.283 1.923 20 5 DDBDRO Cc1ccc(NCCCNC(=O)[C@@]2(F)CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000160485659 525277483 /nfs/dbraw/zinc/27/74/83/525277483.db2.gz ZNNSGVHQYONZMV-OAHLLOKOSA-N 1 0 324.356 1.523 20 5 DDBDRO O=[N+]([O-])c1cnc(NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)nc1 ZINC000302214018 534888866 /nfs/dbraw/zinc/88/88/66/534888866.db2.gz IDNXKWSMNMKUBX-KBPBESRZSA-N 1 0 321.381 1.565 20 5 DDBDRO CC(C)(CC[NH2+]Cc1csc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000414517766 527047327 /nfs/dbraw/zinc/04/73/27/527047327.db2.gz SJNDAUWPEDFPGB-UHFFFAOYSA-N 1 0 306.409 1.959 20 5 DDBDRO CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C12CCC2 ZINC000451471835 527835142 /nfs/dbraw/zinc/83/51/42/527835142.db2.gz IWZWLCAQDFVSQL-MGPQQGTHSA-N 1 0 324.381 1.090 20 5 DDBDRO CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000422948596 527904733 /nfs/dbraw/zinc/90/47/33/527904733.db2.gz ROVRCLZHNFSMBX-DDTOSNHZSA-N 1 0 307.350 1.539 20 5 DDBDRO CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000422919548 527904746 /nfs/dbraw/zinc/90/47/46/527904746.db2.gz JYYHWBVDGKDLLN-OSAQELSMSA-N 1 0 321.377 1.847 20 5 DDBDRO CC(C)[C@@H](CC(F)(F)F)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000445894515 528428107 /nfs/dbraw/zinc/42/81/07/528428107.db2.gz QPKCZVJEWRTREH-WDEREUQCSA-N 1 0 324.303 1.719 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@H+](CC)C2)c1 ZINC000412880632 528612802 /nfs/dbraw/zinc/61/28/02/528612802.db2.gz RMMQGIFZQGCBDS-LLVKDONJSA-N 1 0 307.350 1.818 20 5 DDBDRO CC[N@@H+]1C[C@@H](C)[C@@H](Nc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC000821241151 606731175 /nfs/dbraw/zinc/73/11/75/606731175.db2.gz KGNQDKJJBORQJO-SKDRFNHKSA-N 1 0 317.353 1.527 20 5 DDBDRO C[NH+](C)C[C@H]1CCCN1c1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000821582875 606858380 /nfs/dbraw/zinc/85/83/80/606858380.db2.gz AQYIUKWCGCOFFK-LLVKDONJSA-N 1 0 317.353 1.305 20 5 DDBDRO C[N@H+]1CC=C(CNc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 ZINC000826021643 608587307 /nfs/dbraw/zinc/58/73/07/608587307.db2.gz BLKWAIAVEIBNGM-UHFFFAOYSA-N 1 0 315.337 1.449 20 5 DDBDRO Cc1ccccc1C[NH+]1CCN(Cn2nccc2[N+](=O)[O-])CC1 ZINC000054429266 696275887 /nfs/dbraw/zinc/27/58/87/696275887.db2.gz LZDOOVKOKNLLAO-UHFFFAOYSA-N 1 0 315.377 1.875 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000108327192 696633423 /nfs/dbraw/zinc/63/34/23/696633423.db2.gz FVNOKZRDCBOYIB-GFCCVEGCSA-N 1 0 320.393 1.732 20 5 DDBDRO CC(C)[NH2+]CCCNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000123699265 696733880 /nfs/dbraw/zinc/73/38/80/696733880.db2.gz DMWXNQPQCYRQRC-UHFFFAOYSA-N 1 0 319.358 1.400 20 5 DDBDRO CC[NH2+]CCNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000151390199 696884850 /nfs/dbraw/zinc/88/48/50/696884850.db2.gz HKTFYTPNFOQYRI-UHFFFAOYSA-N 1 0 303.322 1.120 20 5 DDBDRO Cc1cc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)c(N)c([N+](=O)[O-])c1 ZINC000749388545 700160895 /nfs/dbraw/zinc/16/08/95/700160895.db2.gz ZJAHZXWXDHPHCQ-GFCCVEGCSA-N 1 0 318.377 1.794 20 5 DDBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]C[C@H](O)C(F)(F)F)n1 ZINC000774381338 697874246 /nfs/dbraw/zinc/87/42/46/697874246.db2.gz MDGYKSZSNPVGNU-UTLUCORTSA-N 1 0 322.287 1.788 20 5 DDBDRO CC(C)(C)[C@@H](C[NH3+])NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000261601022 698428474 /nfs/dbraw/zinc/42/84/74/698428474.db2.gz ZYVWEBGNOIBYGJ-SNVBAGLBSA-N 1 0 319.358 1.386 20 5 DDBDRO Cc1nn(CN2CC[C@H](C3CC[NH+](C)CC3)C2)cc1[N+](=O)[O-] ZINC000779868149 698476880 /nfs/dbraw/zinc/47/68/80/698476880.db2.gz UHKBOYPRTOVWKG-AWEZNQCLSA-N 1 0 307.398 1.721 20 5 DDBDRO C[C@@H](CNC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[NH+](C)C ZINC000781571920 698631544 /nfs/dbraw/zinc/63/15/44/698631544.db2.gz LOYLKQOTPKEOJK-JTQLQIEISA-N 1 0 324.337 1.502 20 5 DDBDRO C[N@@H+]1CCCC[C@@H]1CCOC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000781666838 698638171 /nfs/dbraw/zinc/63/81/71/698638171.db2.gz WZZYXWPSZPSSDE-SNVBAGLBSA-N 1 0 308.338 1.603 20 5 DDBDRO COC[C@@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000783239614 698823218 /nfs/dbraw/zinc/82/32/18/698823218.db2.gz LJWQGLGAHFQAHY-CVEARBPZSA-N 1 0 324.377 1.659 20 5 DDBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000420409852 699139729 /nfs/dbraw/zinc/13/97/29/699139729.db2.gz WIRQYEWAXTWJHW-BLLLJJGKSA-N 1 0 318.377 1.750 20 5 DDBDRO C[NH+](C)C[C@H](O)CNc1cccc(Br)c1[N+](=O)[O-] ZINC000717400417 699288544 /nfs/dbraw/zinc/28/85/44/699288544.db2.gz FAACKFBETZJIEO-MRVPVSSYSA-N 1 0 318.171 1.692 20 5 DDBDRO C[C@H]([NH2+]CCN1CCOC[C@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788590911 699325827 /nfs/dbraw/zinc/32/58/27/699325827.db2.gz WZLNIUQIRPNINZ-NEPJUHHUSA-N 1 0 308.382 1.548 20 5 DDBDRO O=[N+]([O-])c1cnccc1NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000727430915 699411952 /nfs/dbraw/zinc/41/19/52/699411952.db2.gz GROGHTSBLGGENA-ZDUSSCGKSA-N 1 0 306.366 1.467 20 5 DDBDRO COCC[N@@H+]1CCC[C@@H](Nc2nc3ccccn3c2[N+](=O)[O-])C1 ZINC000729987785 699496910 /nfs/dbraw/zinc/49/69/10/699496910.db2.gz ROEIRYFZLVWMFL-GFCCVEGCSA-N 1 0 319.365 1.765 20 5 DDBDRO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792865491 699719606 /nfs/dbraw/zinc/71/96/06/699719606.db2.gz CALJQEVQJMMQGM-MWLCHTKSSA-N 1 0 322.321 1.589 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCCC[NH+](C)C ZINC000743414508 699911782 /nfs/dbraw/zinc/91/17/82/699911782.db2.gz PWVBOJFCOVEXFL-UHFFFAOYSA-N 1 0 322.365 1.300 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C[NH+](C)C)C(C)C ZINC000756829086 700642909 /nfs/dbraw/zinc/64/29/09/700642909.db2.gz IHZFREIPBVSFEB-CYBMUJFWSA-N 1 0 309.366 1.919 20 5 DDBDRO C[N@@H+]1CCC[C@H](NC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)C1 ZINC000757035755 700653319 /nfs/dbraw/zinc/65/33/19/700653319.db2.gz UWIAGKVHZKLKTI-ZDUSSCGKSA-N 1 0 318.377 1.757 20 5 DDBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000758332463 700699266 /nfs/dbraw/zinc/69/92/66/700699266.db2.gz BJFDNSBOFSVNLQ-TVQRCGJNSA-N 1 0 307.325 1.946 20 5 DDBDRO CN1CC[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000765766073 701026603 /nfs/dbraw/zinc/02/66/03/701026603.db2.gz AWODOWWHCVSSNR-CQSZACIVSA-N 1 0 304.394 1.857 20 5 DDBDRO C[C@]12C[NH+](Cc3ccc([N+](=O)[O-])c(F)c3)C[C@]1(C)C(=O)NC2=O ZINC000879158117 706602022 /nfs/dbraw/zinc/60/20/22/706602022.db2.gz NQTQHNGEDUAWLS-HUUCEWRRSA-N 1 0 321.308 1.219 20 5 DDBDRO CC[NH+](CC)CCS(=O)(=O)Oc1ccc([N+](=O)[O-])cc1C ZINC000810058499 701717723 /nfs/dbraw/zinc/71/77/23/701717723.db2.gz TVGDXMAKOYJNBC-UHFFFAOYSA-N 1 0 316.379 1.954 20 5 DDBDRO C[NH+](C)CCCOc1ccc(NC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC000839718023 701795832 /nfs/dbraw/zinc/79/58/32/701795832.db2.gz XFZMZKIVFKXKCJ-ZIAGYGMSSA-N 1 0 307.350 1.621 20 5 DDBDRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000831001434 706618291 /nfs/dbraw/zinc/61/82/91/706618291.db2.gz SMFVNOUKEFSWQF-NEPJUHHUSA-N 1 0 323.305 1.934 20 5 DDBDRO C[C@@]([NH3+])(C(=O)NCC(F)(F)C(F)F)c1cccc([N+](=O)[O-])c1 ZINC000867974440 701866477 /nfs/dbraw/zinc/86/64/77/701866477.db2.gz TWMKOIZWQWFUNV-NSHDSACASA-N 1 0 323.246 1.785 20 5 DDBDRO COc1ccc(NC(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)cc1[N+](=O)[O-] ZINC000868145324 701962284 /nfs/dbraw/zinc/96/22/84/701962284.db2.gz PVENPKMKICIYEY-RYUDHWBXSA-N 1 0 320.349 1.962 20 5 DDBDRO CC[C@@H]1C[N@H+](C)CCN1Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000840094478 701966290 /nfs/dbraw/zinc/96/62/90/701966290.db2.gz UMOJYMTZSIKBAX-CYBMUJFWSA-N 1 0 303.366 1.928 20 5 DDBDRO CC[C@@H]1C[N@H+](C)CCN1Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000840094779 701966463 /nfs/dbraw/zinc/96/64/63/701966463.db2.gz WZONBSPLDVPLMN-CYBMUJFWSA-N 1 0 303.366 1.928 20 5 DDBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000816767080 702187459 /nfs/dbraw/zinc/18/74/59/702187459.db2.gz ODLSTOPHTNDASM-ZANVPECISA-N 1 0 322.321 1.668 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(c3ccc([N+](=O)[O-])c(C(N)=O)c3)CC[C@H]21 ZINC000866208679 706649149 /nfs/dbraw/zinc/64/91/49/706649149.db2.gz KJNKXKOGPUMAFU-ZWNOBZJWSA-N 1 0 304.350 1.224 20 5 DDBDRO CN(C[C@@H](O)C[NH3+])C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000841011398 702310173 /nfs/dbraw/zinc/31/01/73/702310173.db2.gz PRIDMFORKHKJEW-QMMMGPOBSA-N 1 0 302.718 1.032 20 5 DDBDRO Cc1ccnc(N(C)CC[NH+]2CC3(C2)CCOCC3)c1[N+](=O)[O-] ZINC000866257104 706659100 /nfs/dbraw/zinc/65/91/00/706659100.db2.gz WXBWQPPZOVBZGL-UHFFFAOYSA-N 1 0 320.393 1.847 20 5 DDBDRO O=C1N[C@@H](C[NH+]2CCCCC2)C(=O)N1c1ccc([N+](=O)[O-])cc1 ZINC000813355529 702336504 /nfs/dbraw/zinc/33/65/04/702336504.db2.gz LGFXWXSHIJBHHN-ZDUSSCGKSA-N 1 0 318.333 1.506 20 5 DDBDRO Cc1c(C(=O)N2CC[C@H]([NH3+])[C@@H]2C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000817991792 702545611 /nfs/dbraw/zinc/54/56/11/702545611.db2.gz KCPKAPWHSULAIM-KWQFWETISA-N 1 0 308.294 1.373 20 5 DDBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)COC1CC[NH2+]CC1)CC2 ZINC000817999696 702548479 /nfs/dbraw/zinc/54/84/79/702548479.db2.gz TZZOYJVKNYTZPY-UHFFFAOYSA-N 1 0 319.361 1.561 20 5 DDBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)NCC1=CC[NH2+]CC1 ZINC000841856578 702589760 /nfs/dbraw/zinc/58/97/60/702589760.db2.gz SNWORPLKWBAXSP-UHFFFAOYSA-N 1 0 324.768 1.967 20 5 DDBDRO C[NH+](C)C1(CS(=O)(=O)Oc2ccccc2[N+](=O)[O-])CC1 ZINC000866376783 706684946 /nfs/dbraw/zinc/68/49/46/706684946.db2.gz RBJXOSBIIZTLQD-UHFFFAOYSA-N 1 0 300.336 1.398 20 5 DDBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H](O)[C@@H]1CCCO1 ZINC000866396130 706688891 /nfs/dbraw/zinc/68/88/91/706688891.db2.gz NLNPSVJEIVNPHY-ONERCXAPSA-N 1 0 312.341 1.794 20 5 DDBDRO C[NH2+]CCCN(C)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000842477136 702725547 /nfs/dbraw/zinc/72/55/47/702725547.db2.gz LSBCPGAHIJZVLT-UHFFFAOYSA-N 1 0 314.773 1.728 20 5 DDBDRO O=[N+]([O-])c1cc(-c2nc([C@H]3CCC[NH2+]3)no2)cc([N+](=O)[O-])c1 ZINC000842645864 702749239 /nfs/dbraw/zinc/74/92/39/702749239.db2.gz NIEYZXLFYVMQFV-SNVBAGLBSA-N 1 0 305.250 1.978 20 5 DDBDRO C[C@H]([NH3+])[C@H](C)NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000842883130 702786908 /nfs/dbraw/zinc/78/69/08/702786908.db2.gz AXUVFYSDOKLPRE-BQBZGAKWSA-N 1 0 307.759 1.262 20 5 DDBDRO Cc1ccc(NC(=O)C(=O)NCCCCCC[NH3+])cc1[N+](=O)[O-] ZINC000843050131 702808222 /nfs/dbraw/zinc/80/82/22/702808222.db2.gz DMJIYCXIYGBIGI-UHFFFAOYSA-N 1 0 322.365 1.477 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CC[C@H](O)C(F)(F)F)c1 ZINC000843073867 702813713 /nfs/dbraw/zinc/81/37/13/702813713.db2.gz VDICNVNRDRRJER-MNOVXSKESA-N 1 0 308.256 1.531 20 5 DDBDRO CSC[C@H](CCO)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000843082136 702815579 /nfs/dbraw/zinc/81/55/79/702815579.db2.gz AMOMPPLTPZAVAU-WCQYABFASA-N 1 0 300.380 1.332 20 5 DDBDRO Cc1ccc([C@@H](O)C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)o1 ZINC000843089837 702816882 /nfs/dbraw/zinc/81/68/82/702816882.db2.gz TVHYKYVSQFWDMM-KBPBESRZSA-N 1 0 306.318 1.853 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(Cc2noc([C@@]3(F)CC[NH2+]C3)n2)c1 ZINC000843222728 702845205 /nfs/dbraw/zinc/84/52/05/702845205.db2.gz JDXDIPXAYKWANI-CQSZACIVSA-N 1 0 322.296 1.735 20 5 DDBDRO CC(C)[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CC[NH2+]1 ZINC000843468031 702888173 /nfs/dbraw/zinc/88/81/73/702888173.db2.gz NKTMHGJBMHCXEY-CQSZACIVSA-N 1 0 320.393 1.731 20 5 DDBDRO CC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CC[C@H]1[NH3+] ZINC000843470760 702888564 /nfs/dbraw/zinc/88/85/64/702888564.db2.gz BYEHZOGAMFIFJU-SMDDNHRTSA-N 1 0 320.393 1.860 20 5 DDBDRO O=C(N[C@@H]1C[NH2+]CCC1(F)F)c1cc(F)ccc1[N+](=O)[O-] ZINC000843484265 702891052 /nfs/dbraw/zinc/89/10/52/702891052.db2.gz NGVQOJVAFIFZRJ-SNVBAGLBSA-N 1 0 303.240 1.461 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)OC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000845733416 703195120 /nfs/dbraw/zinc/19/51/20/703195120.db2.gz ALPHFQVZBXTRCS-LBPRGKRZSA-N 1 0 324.381 1.906 20 5 DDBDRO [NH2+]=C(NCCNc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCCO1 ZINC000848982799 703606442 /nfs/dbraw/zinc/60/64/42/703606442.db2.gz SCWTXYWOFNSLCL-ZDUSSCGKSA-N 1 0 307.354 1.300 20 5 DDBDRO C[NH2+]C[C@H](C)NS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000850593824 703738782 /nfs/dbraw/zinc/73/87/82/703738782.db2.gz GGBDLYKAMJJNKZ-QMMMGPOBSA-N 1 0 321.786 1.443 20 5 DDBDRO [NH3+][C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC[C@H]1F ZINC000851649084 703822481 /nfs/dbraw/zinc/82/24/81/703822481.db2.gz SQQHLYDEHARYIA-NXEZZACHSA-N 1 0 301.705 1.760 20 5 DDBDRO CC(C)(C[NH3+])NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000818544345 703923365 /nfs/dbraw/zinc/92/33/65/703923365.db2.gz OCRVZUBBRCUNLB-UHFFFAOYSA-N 1 0 303.721 1.783 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CC[C@H](Cn3ccnn3)C2)cc1 ZINC000852313495 704007051 /nfs/dbraw/zinc/00/70/51/704007051.db2.gz IHIBQZHFUCGHFS-SWLSCSKDSA-N 1 0 317.349 1.242 20 5 DDBDRO CC[C@@H](C)NC(=O)CC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818965898 704036832 /nfs/dbraw/zinc/03/68/32/704036832.db2.gz XDTVSWDCVOMRRS-RISCZKNCSA-N 1 0 309.366 1.523 20 5 DDBDRO O=C1OCCN1[C@H]1CCN(Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000852441555 704050616 /nfs/dbraw/zinc/05/06/16/704050616.db2.gz HARBRWHQMMCZTM-LBPRGKRZSA-N 1 0 309.297 1.760 20 5 DDBDRO C[C@@]12COC[C@]1(C)C[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000852463944 704054603 /nfs/dbraw/zinc/05/46/03/704054603.db2.gz ZIWGZGSJUJXOCD-OAGGEKHMSA-N 1 0 306.362 1.987 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H]2CCN(CC3CC3)C2)c1 ZINC000819040287 704057343 /nfs/dbraw/zinc/05/73/43/704057343.db2.gz ZAQDOKWNMAOFQM-GOEBONIOSA-N 1 0 305.378 1.702 20 5 DDBDRO CC[C@H](C[NH+](C)C)OC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000870549891 704074174 /nfs/dbraw/zinc/07/41/74/704074174.db2.gz JMHAVKRXWODRSQ-SNVBAGLBSA-N 1 0 310.306 1.821 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCCO[C@@H]2CCOC2)c1 ZINC000819149061 704076261 /nfs/dbraw/zinc/07/62/61/704076261.db2.gz GLNJRLVAXTVMEB-HUUCEWRRSA-N 1 0 310.350 1.413 20 5 DDBDRO CON(C)C(=O)CC[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000819151042 704076797 /nfs/dbraw/zinc/07/67/97/704076797.db2.gz VSZYZPMQHBWKDE-UHFFFAOYSA-N 1 0 301.730 1.748 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000819175907 704081791 /nfs/dbraw/zinc/08/17/91/704081791.db2.gz CYOFZXPXVDMJBY-ZDUSSCGKSA-N 1 0 321.293 1.023 20 5 DDBDRO CCn1cccc(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)c1=O ZINC000819272385 704098251 /nfs/dbraw/zinc/09/82/51/704098251.db2.gz UHUXVGDJQCGLSP-HNNXBMFYSA-N 1 0 317.345 1.600 20 5 DDBDRO C[C@H](C[C@@H]1CCCC[N@@H+]1C)OC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000870786396 704132034 /nfs/dbraw/zinc/13/20/34/704132034.db2.gz WHMOJTVPMRIXPL-MNOVXSKESA-N 1 0 310.354 1.748 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(N2CCC(CO)([NH2+]CC3CC3)CC2)n1 ZINC000853677913 704297853 /nfs/dbraw/zinc/29/78/53/704297853.db2.gz WTMIKXTWYCWPLH-UHFFFAOYSA-N 1 0 320.393 1.629 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(N[C@@H](C)CN(C)CCC[NH+](C)C)n1 ZINC000853774598 704314228 /nfs/dbraw/zinc/31/42/28/704314228.db2.gz UXCNSXFTPUHHKV-ZDUSSCGKSA-N 1 0 309.414 1.982 20 5 DDBDRO Cc1noc(COC(=O)CN(C)[C@H]2CCSC2)c1[N+](=O)[O-] ZINC000853908123 704333553 /nfs/dbraw/zinc/33/35/53/704333553.db2.gz VQGXAPRBAIWVQL-VIFPVBQESA-N 1 0 315.351 1.372 20 5 DDBDRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1cc([N+](=O)[O-])cnc1N)C2 ZINC000854739262 704446355 /nfs/dbraw/zinc/44/63/55/704446355.db2.gz SGIYKZOOFZDKNG-HNNXBMFYSA-N 1 0 319.365 1.130 20 5 DDBDRO Cc1c(C(=O)NCC[C@@H](C)[NH+](C)C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000855412205 704483771 /nfs/dbraw/zinc/48/37/71/704483771.db2.gz URTAILLLWTWUOR-SECBINFHSA-N 1 0 324.337 1.881 20 5 DDBDRO C[NH2+]C[C@H](C)NC(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857764813 704622008 /nfs/dbraw/zinc/62/20/08/704622008.db2.gz BDMYYDBXMNPHQM-QMMMGPOBSA-N 1 0 303.265 1.291 20 5 DDBDRO NC(=O)[C@H]1C[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000858493674 704718360 /nfs/dbraw/zinc/71/83/60/704718360.db2.gz CWNBSKNHXYAUTA-AULYBMBSSA-N 1 0 318.377 1.417 20 5 DDBDRO C[C@@H]([NH3+])CN(C)S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000858640513 704738546 /nfs/dbraw/zinc/73/85/46/704738546.db2.gz OMQOFCWGARKHDL-SECBINFHSA-N 1 0 324.362 1.111 20 5 DDBDRO CO[C@H]1COCC[C@H]1[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000880424635 706969864 /nfs/dbraw/zinc/96/98/64/706969864.db2.gz JQTHRXHCUKVXBF-CABCVRRESA-N 1 0 310.350 1.709 20 5 DDBDRO CO[C@H](C[NH3+])Cc1nc(CCNc2ccccc2[N+](=O)[O-])no1 ZINC000822791391 705041099 /nfs/dbraw/zinc/04/10/99/705041099.db2.gz SFNMXTSPXHZCNE-JTQLQIEISA-N 1 0 321.337 1.149 20 5 DDBDRO Cc1nc([N+](=O)[O-])c(-c2noc([C@H](C(C)C)[C@H](C)[NH3+])n2)n1C ZINC000823094312 705137255 /nfs/dbraw/zinc/13/72/55/705137255.db2.gz OGRQNGZCDWYFIQ-IONNQARKSA-N 1 0 308.342 1.774 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3C)n1 ZINC000874827014 705185558 /nfs/dbraw/zinc/18/55/58/705185558.db2.gz AGNBGIWHFWJHRN-GHMZBOCLSA-N 1 0 307.354 1.120 20 5 DDBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)C[C@](C)(O)c1ccccc1 ZINC000823591361 705274745 /nfs/dbraw/zinc/27/47/45/705274745.db2.gz KCFFYQAMIVCNTG-HNNXBMFYSA-N 1 0 304.350 1.631 20 5 DDBDRO CN(CC1C[NH+](C)C1)C(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000825180178 705617585 /nfs/dbraw/zinc/61/75/85/705617585.db2.gz FZWUNVWQOBMZHM-GJZGRUSLSA-N 1 0 303.362 1.718 20 5 DDBDRO CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000825378903 705658103 /nfs/dbraw/zinc/65/81/03/705658103.db2.gz IXCDWRQYSZWIDU-FZMZJTMJSA-N 1 0 307.350 1.086 20 5 DDBDRO CC(C)C[C@@H](CNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000825888494 705741651 /nfs/dbraw/zinc/74/16/51/705741651.db2.gz WNQSYCGVKOSNBB-GJZGRUSLSA-N 1 0 323.393 1.721 20 5 DDBDRO C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000876611539 705783207 /nfs/dbraw/zinc/78/32/07/705783207.db2.gz IZTQACTWTTYEPR-UUSVCDRXSA-N 1 0 319.361 1.631 20 5 DDBDRO C[NH+]1CCC2(CC1)CN(c1ccc(N)cc1[N+](=O)[O-])CCO2 ZINC000826767702 705868033 /nfs/dbraw/zinc/86/80/33/705868033.db2.gz OLLSKDIWUUKKMG-UHFFFAOYSA-N 1 0 306.366 1.478 20 5 DDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]Cc3ccccc3CO)C2)c1 ZINC000876968887 705942545 /nfs/dbraw/zinc/94/25/45/705942545.db2.gz UQLKNGDUUQKECQ-UHFFFAOYSA-N 1 0 302.334 1.777 20 5 DDBDRO C[N@@H+]1CC[C@H]2CN(C(=O)c3c(F)cccc3[N+](=O)[O-])CC[C@H]21 ZINC000827216573 705952140 /nfs/dbraw/zinc/95/21/40/705952140.db2.gz ASGRMCVTMMEIEB-CMPLNLGQSA-N 1 0 307.325 1.900 20 5 DDBDRO C[C@@H]([NH3+])CN(C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000863565183 705959250 /nfs/dbraw/zinc/95/92/50/705959250.db2.gz BPUNHLXEZCSRJR-MRVPVSSYSA-N 1 0 300.746 1.466 20 5 DDBDRO CCOC(=O)C1=CC[C@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000863576536 705962792 /nfs/dbraw/zinc/96/27/92/705962792.db2.gz RIKQLMTVXGNZMF-DZGCQCFKSA-N 1 0 320.345 1.870 20 5 DDBDRO CNc1ccc(C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000827366708 705986496 /nfs/dbraw/zinc/98/64/96/705986496.db2.gz OHOYIEYVMKANON-GXTWGEPZSA-N 1 0 318.377 1.803 20 5 DDBDRO CCOC(=O)C1(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CCC1 ZINC000877313325 706059825 /nfs/dbraw/zinc/05/98/25/706059825.db2.gz XYTKSVPQBXSAIH-UHFFFAOYSA-N 1 0 322.365 1.818 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000864618771 706215372 /nfs/dbraw/zinc/21/53/72/706215372.db2.gz VNKZSTVINZAOMS-HNNXBMFYSA-N 1 0 308.382 1.770 20 5 DDBDRO C[N@@H+]1CC[C@H]1CN1C(=O)N[C@@](C)(c2cccc([N+](=O)[O-])c2)C1=O ZINC000877875789 706230655 /nfs/dbraw/zinc/23/06/55/706230655.db2.gz RQLYKLFSRBTRLW-WFASDCNBSA-N 1 0 318.333 1.066 20 5 DDBDRO COCc1cc([N+](=O)[O-])ccc1N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000829015239 706273770 /nfs/dbraw/zinc/27/37/70/706273770.db2.gz BVQYPIDQCZMFEG-BETUJISGSA-N 1 0 323.393 1.633 20 5 DDBDRO C[C@H](CNC(=O)Cc1cccc(F)c1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000865142270 706362165 /nfs/dbraw/zinc/36/21/65/706362165.db2.gz CFFKXGGMNIFBOU-SNVBAGLBSA-N 1 0 309.341 1.875 20 5 DDBDRO C[N@H+](CCn1nc([N+](=O)[O-])cc1[N+](=O)[O-])Cc1ccccc1 ZINC000829834325 706404507 /nfs/dbraw/zinc/40/45/07/706404507.db2.gz UFRVQJANSVFOGZ-UHFFFAOYSA-N 1 0 305.294 1.832 20 5 DDBDRO C[NH+](C)C[C@]1(O)CCCN(Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000878865246 706519246 /nfs/dbraw/zinc/51/92/46/706519246.db2.gz FWKMDNXNHUPNOO-OAHLLOKOSA-N 1 0 311.357 1.622 20 5 DDBDRO COc1cc(N[C@H]2CC[N@H+](CC(C)(C)O)C2)ccc1[N+](=O)[O-] ZINC000865999058 706589955 /nfs/dbraw/zinc/58/99/55/706589955.db2.gz XEHBKIWRKFPXIK-LBPRGKRZSA-N 1 0 309.366 1.861 20 5 DDBDRO C[C@]1(C(F)(F)F)CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000880001598 706850283 /nfs/dbraw/zinc/85/02/83/706850283.db2.gz RCJQICRFJDBYKI-QWRGUYRKSA-N 1 0 322.287 1.427 20 5 DDBDRO O=C1CC2(CCC2)[N@H+](CCc2ccc([N+](=O)[O-])cc2)CCN1 ZINC000880170802 706900172 /nfs/dbraw/zinc/90/01/72/706900172.db2.gz WPHLEEPFKUIBJU-UHFFFAOYSA-N 1 0 303.362 1.882 20 5 DDBDRO C[NH+](C)CCCS(=O)(=O)Oc1cccc(Cl)c1[N+](=O)[O-] ZINC000867307760 706954785 /nfs/dbraw/zinc/95/47/85/706954785.db2.gz ZBDNMBUEASYFGT-UHFFFAOYSA-N 1 0 322.770 1.909 20 5 DDBDRO CC1([NH3+])CCN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000834595097 707091365 /nfs/dbraw/zinc/09/13/65/707091365.db2.gz YYEQVMOJNQDYOF-UHFFFAOYSA-N 1 0 317.349 1.284 20 5 DDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCO[C@@H]2CCOC2)n1 ZINC000927082247 712939427 /nfs/dbraw/zinc/93/94/27/712939427.db2.gz VYUAWLWHSFOSJT-HZSPNIEDSA-N 1 0 324.381 1.670 20 5 DDBDRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2c1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000872778801 707596924 /nfs/dbraw/zinc/59/69/24/707596924.db2.gz BWLWHGHHTQWBSK-NEPJUHHUSA-N 1 0 304.350 1.367 20 5 DDBDRO CN1CC[NH+](C2CCN(c3ccnc(F)c3[N+](=O)[O-])CC2)CC1 ZINC000882700810 707752907 /nfs/dbraw/zinc/75/29/07/707752907.db2.gz XIIUOQWWMXYUHW-UHFFFAOYSA-N 1 0 323.372 1.345 20 5 DDBDRO CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000873251527 707785110 /nfs/dbraw/zinc/78/51/10/707785110.db2.gz KXPBWKXJPYAIQK-GXTWGEPZSA-N 1 0 307.350 1.286 20 5 DDBDRO C[N@@H+]1CCC[C@H](CCNC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000838149913 707854844 /nfs/dbraw/zinc/85/48/44/707854844.db2.gz QVFGMSBKQPIDNR-IUODEOHRSA-N 1 0 321.377 1.476 20 5 DDBDRO O=C(OCCn1ccc([N+](=O)[O-])n1)C1C[NH+](C2CCCCC2)C1 ZINC000838462246 707924563 /nfs/dbraw/zinc/92/45/63/707924563.db2.gz DLTSDYYQIDRLDG-UHFFFAOYSA-N 1 0 322.365 1.599 20 5 DDBDRO C[NH2+]C[C@H]1CCCCN1CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000883448922 708004797 /nfs/dbraw/zinc/00/47/97/708004797.db2.gz VGGSXLMSFOVTLS-CYBMUJFWSA-N 1 0 320.393 1.916 20 5 DDBDRO COC(=O)c1ccnc(N2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)c1[N+](=O)[O-] ZINC000896912411 708180596 /nfs/dbraw/zinc/18/05/96/708180596.db2.gz WYBDZPRFUUINGZ-ZUZCIYMTSA-N 1 0 320.349 1.164 20 5 DDBDRO COc1c(O)ccc(C[NH2+][C@@H]2COC[C@@H]2C2CC2)c1[N+](=O)[O-] ZINC000898380077 708627783 /nfs/dbraw/zinc/62/77/83/708627783.db2.gz LHBUTHWEBUJVNZ-VXGBXAGGSA-N 1 0 308.334 1.824 20 5 DDBDRO COC(=O)CC[N@H+](Cc1cccnc1[N+](=O)[O-])C1CCOCC1 ZINC000886026977 708683798 /nfs/dbraw/zinc/68/37/98/708683798.db2.gz AJDQADSCZZMNJY-UHFFFAOYSA-N 1 0 323.349 1.534 20 5 DDBDRO C[C@@](O)(C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)C(F)F ZINC000886067223 708691534 /nfs/dbraw/zinc/69/15/34/708691534.db2.gz IPYOMZYTXVUBMZ-NOZJJQNGSA-N 1 0 316.308 1.492 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000886823107 708854183 /nfs/dbraw/zinc/85/41/83/708854183.db2.gz ZAIWXAMQLVNYLE-TZMCWYRMSA-N 1 0 307.350 1.257 20 5 DDBDRO C[C@H](NC(=O)C[C@]1(O)CCC[N@H+](C)C1)c1ccccc1[N+](=O)[O-] ZINC000901328962 710011493 /nfs/dbraw/zinc/01/14/93/710011493.db2.gz JVNSWJRBOHIIPU-BLLLJJGKSA-N 1 0 321.377 1.619 20 5 DDBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000891410491 710190722 /nfs/dbraw/zinc/19/07/22/710190722.db2.gz QLZNZDXPTIHTMA-GJZGRUSLSA-N 1 0 318.377 1.673 20 5 DDBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000891410493 710190834 /nfs/dbraw/zinc/19/08/34/710190834.db2.gz QLZNZDXPTIHTMA-HUUCEWRRSA-N 1 0 318.377 1.673 20 5 DDBDRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)NCCc1cccc([N+](=O)[O-])c1)C2 ZINC000891722616 710275740 /nfs/dbraw/zinc/27/57/40/710275740.db2.gz HERHPXLSXGCDQJ-XJKSGUPXSA-N 1 0 318.377 1.388 20 5 DDBDRO Cc1ccc(CNC(=O)N[C@@H]2C[NH2+]CC[C@H]2C)cc1[N+](=O)[O-] ZINC000892077035 710367199 /nfs/dbraw/zinc/36/71/99/710367199.db2.gz DAZUMXQEFQDRMV-ZWNOBZJWSA-N 1 0 306.366 1.700 20 5 DDBDRO Cc1ccc(CNC(=O)N[C@@]23CCC[C@H]2[NH2+]CC3)cc1[N+](=O)[O-] ZINC000892536466 710453865 /nfs/dbraw/zinc/45/38/65/710453865.db2.gz DUXJCGUWXYSFTP-GDBMZVCRSA-N 1 0 318.377 1.987 20 5 DDBDRO C[C@@]1(Br)C[C@H]1C[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000893134365 710559956 /nfs/dbraw/zinc/55/99/56/710559956.db2.gz KMNVUJFLVKPYCW-WCBMZHEXSA-N 1 0 303.160 1.554 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC000928459938 713206186 /nfs/dbraw/zinc/20/61/86/713206186.db2.gz YJMPGQZVGIOOKA-CHWSQXEVSA-N 1 0 321.377 1.881 20 5 DDBDRO C[NH+](C)C1(C)CCN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000913389374 713207147 /nfs/dbraw/zinc/20/71/47/713207147.db2.gz CERMCDYNWLKVQB-CQSZACIVSA-N 1 0 321.377 1.571 20 5 DDBDRO CCN1C[C@H]([NH2+][C@H](C)c2cc(OC)cc([N+](=O)[O-])c2)CC1=O ZINC000903177751 711056287 /nfs/dbraw/zinc/05/62/87/711056287.db2.gz AYIPMWBQVXSKPX-ZYHUDNBSSA-N 1 0 307.350 1.875 20 5 DDBDRO COC(=O)[C@@H]1[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1(F)F ZINC000894385509 711098287 /nfs/dbraw/zinc/09/82/87/711098287.db2.gz ODQZAIHONXKVEE-QWRGUYRKSA-N 1 0 300.261 1.739 20 5 DDBDRO Cc1c(CNC(=O)N2CC[C@@H]3C[N@@H+](C)C[C@H]32)cccc1[N+](=O)[O-] ZINC000894395850 711102248 /nfs/dbraw/zinc/10/22/48/711102248.db2.gz BZEASVCPSMRHBF-UKRRQHHQSA-N 1 0 318.377 1.749 20 5 DDBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1COC[C@H]1C ZINC000903400090 711114663 /nfs/dbraw/zinc/11/46/63/711114663.db2.gz MIDYNSQXEWVTBM-JTNHKYCSSA-N 1 0 307.350 1.936 20 5 DDBDRO C[NH2+]CCN(C(C)C)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000903589722 711213063 /nfs/dbraw/zinc/21/30/63/711213063.db2.gz JALWFLYXOWVJJW-UHFFFAOYSA-N 1 0 319.358 1.352 20 5 DDBDRO [NH3+]C[C@]12CC[C@H]1CCCN2C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000903806316 711286392 /nfs/dbraw/zinc/28/63/92/711286392.db2.gz VLGIKPOWCMOQIS-FVQBIDKESA-N 1 0 305.378 1.832 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@H]3COCO3)CC2)cc1 ZINC000894876010 711304845 /nfs/dbraw/zinc/30/48/45/711304845.db2.gz LRXUNCKHGJTCFZ-HNNXBMFYSA-N 1 0 307.350 1.526 20 5 DDBDRO COC(=O)c1cc(C)nc(N[C@H]2CC[N@H+](C)[C@H]2C)c1[N+](=O)[O-] ZINC000895734807 711590302 /nfs/dbraw/zinc/59/03/02/711590302.db2.gz AUPOKUSTSAFVKI-ONGXEEELSA-N 1 0 308.338 1.589 20 5 DDBDRO COC(OC)[C@@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000895789317 711606658 /nfs/dbraw/zinc/60/66/58/711606658.db2.gz JPSQTPZROAAXSK-LLVKDONJSA-N 1 0 324.381 1.556 20 5 DDBDRO C[NH+](C)CC1(O)CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000913683094 713280472 /nfs/dbraw/zinc/28/04/72/713280472.db2.gz MVPDLSKUZDXJCD-UHFFFAOYSA-N 1 0 307.350 1.124 20 5 DDBDRO O=[N+]([O-])CC[NH2+]C[C@@H](c1cccc(Cl)c1)N1CCOCC1 ZINC000905081122 711929888 /nfs/dbraw/zinc/92/98/88/711929888.db2.gz HMSZRXGUJGVKBR-AWEZNQCLSA-N 1 0 313.785 1.580 20 5 DDBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]C[C@@H](O)C1(O)CCC1 ZINC000905202018 711966696 /nfs/dbraw/zinc/96/66/96/711966696.db2.gz LLOMAFZIIOCDED-CYBMUJFWSA-N 1 0 314.769 1.656 20 5 DDBDRO CCN1CC[C@H]1C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000905443009 712038734 /nfs/dbraw/zinc/03/87/34/712038734.db2.gz XFWIQLAAHRZPND-KBPBESRZSA-N 1 0 309.366 1.018 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@H]2COC3(CCC3)C2)c1 ZINC000905449540 712040559 /nfs/dbraw/zinc/04/05/59/712040559.db2.gz FBOVLEPTZVNXKX-TZMCWYRMSA-N 1 0 322.361 1.636 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CC[C@H]2CCCO2)c1 ZINC000905479714 712049391 /nfs/dbraw/zinc/04/93/91/712049391.db2.gz ZEJACZAVQDSPPY-ZIAGYGMSSA-N 1 0 310.350 1.493 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@H]1CC[N@@H+]1C ZINC000914291383 713371591 /nfs/dbraw/zinc/37/15/91/713371591.db2.gz KLOWPDUCTVUHPU-GFCCVEGCSA-N 1 0 308.338 1.107 20 5 DDBDRO CCO[C@H](CNC(=O)NCc1cccc([N+](=O)[O-])c1)C[NH+](C)C ZINC000915089889 713409331 /nfs/dbraw/zinc/40/93/31/713409331.db2.gz NOMMOFAYPKJCBH-CQSZACIVSA-N 1 0 324.381 1.361 20 5 DDBDRO O=C(C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)Nc1ccccc1 ZINC000916570640 713458400 /nfs/dbraw/zinc/45/84/00/713458400.db2.gz JMULDKWLGRAANE-HNNXBMFYSA-N 1 0 315.329 1.857 20 5 DDBDRO O=C(N1C[C@H]([NH2+]CC[N+](=O)[O-])Cc2ccccc21)C(F)(F)F ZINC000930971604 713971176 /nfs/dbraw/zinc/97/11/76/713971176.db2.gz SEWNFXJTGHSYMC-SNVBAGLBSA-N 1 0 317.267 1.373 20 5 DDBDRO C[NH+]1C[C@]2(C)CN(C[C@H](O)c3cccc([N+](=O)[O-])c3)C[C@@]2(C)C1 ZINC000931312888 714063325 /nfs/dbraw/zinc/06/33/25/714063325.db2.gz WBTCMOFXOMQMMW-GVDBMIGSSA-N 1 0 319.405 1.902 20 5 DDBDRO Cc1ccc(CNC(=O)NCC2([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000922983139 714203801 /nfs/dbraw/zinc/20/38/01/714203801.db2.gz YEKKRQNNHDRAPT-UHFFFAOYSA-N 1 0 306.366 1.797 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000932237213 714289225 /nfs/dbraw/zinc/28/92/25/714289225.db2.gz BBTAABMMGAHBMH-ZDUSSCGKSA-N 1 0 321.381 1.187 20 5 DDBDRO CCC[C@@H]1C[NH2+]CCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000923332545 714318342 /nfs/dbraw/zinc/31/83/42/714318342.db2.gz REABILICTOXDDF-HUUCEWRRSA-N 1 0 323.393 1.408 20 5 DDBDRO CC(C)(C)NC(=O)[C@@H]1CCCN1CCn1ccc([N+](=O)[O-])n1 ZINC000932438783 714331110 /nfs/dbraw/zinc/33/11/10/714331110.db2.gz UMVWROSVRIQQCO-NSHDSACASA-N 1 0 309.370 1.170 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC[C@@H]3[NH2+]CC[C@H]32)c1 ZINC000923416841 714349387 /nfs/dbraw/zinc/34/93/87/714349387.db2.gz QOEWCOZVBBIBIG-VNQPRFMTSA-N 1 0 321.377 1.161 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2C[C@H](C3CC3)C[C@@H]2C2CC2)c1 ZINC000932892606 714431955 /nfs/dbraw/zinc/43/19/55/714431955.db2.gz GLWLVFRKILCELN-FVQBIDKESA-N 1 0 320.393 1.663 20 5 DDBDRO CC[C@H]1C(=O)NCCC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000933225923 714541955 /nfs/dbraw/zinc/54/19/55/714541955.db2.gz FNCZLEIUFYIGBJ-HNNXBMFYSA-N 1 0 321.377 1.964 20 5 DDBDRO CCC1(CC)CNC(=O)[C@@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000933291451 714556071 /nfs/dbraw/zinc/55/60/71/714556071.db2.gz WXYLSOPLVIYSMJ-AWEZNQCLSA-N 1 0 321.377 1.868 20 5 DDBDRO NC(=O)[C@]12CCC[C@H]1C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])C2 ZINC000933749555 714663011 /nfs/dbraw/zinc/66/30/11/714663011.db2.gz CVESGJXRRMRUII-NHYWBVRUSA-N 1 0 307.325 1.821 20 5 DDBDRO C[NH+](C)C[C@](C)(O)CNC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000935052682 714964498 /nfs/dbraw/zinc/96/44/98/714964498.db2.gz ODNHCXGRKJLULM-OFQRWUPVSA-N 1 0 321.377 1.127 20 5 DDBDRO Cc1nc(N2CC[C@@H]3[C@H]2CCN3CC[NH+](C)C)ccc1[N+](=O)[O-] ZINC001164923257 721849174 /nfs/dbraw/zinc/84/91/74/721849174.db2.gz UPJXCWCOVAEYTF-HUUCEWRRSA-N 1 0 319.409 1.513 20 5 DDBDRO C[N@@H+]1C[C@@H]2CC[C@H](Nc3ccc4ncc([N+](=O)[O-])n4n3)[C@@H]2C1 ZINC001120921980 782237173 /nfs/dbraw/zinc/23/71/73/782237173.db2.gz FZYWWZUJUTUFHW-AXFHLTTASA-N 1 0 302.338 1.390 20 5 DDBDRO CC(C)(C[NH2+]Cc1cccc([N+](=O)[O-])c1)CS(C)(=O)=O ZINC000693053322 732861976 /nfs/dbraw/zinc/86/19/76/732861976.db2.gz NWYOVOQULINJNQ-UHFFFAOYSA-N 1 0 300.380 1.755 20 5 DDBDRO [NH3+]CC1(N(Cc2ccccc2)c2cnc([N+](=O)[O-])cn2)COC1 ZINC001167374646 733321350 /nfs/dbraw/zinc/32/13/50/733321350.db2.gz PLMQOPMQNOUENM-UHFFFAOYSA-N 1 0 315.333 1.119 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC001121197462 782403936 /nfs/dbraw/zinc/40/39/36/782403936.db2.gz ASSVUBAEDOONDS-LEWSCRJBSA-N 1 0 319.361 1.673 20 5 DDBDRO CCc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cc1 ZINC001022063574 734368192 /nfs/dbraw/zinc/36/81/92/734368192.db2.gz DRJFMGCLRCNGMC-QKPAOTATSA-N 1 0 317.389 1.651 20 5 DDBDRO Cc1ccccc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001022064158 734369129 /nfs/dbraw/zinc/36/91/29/734369129.db2.gz YTOATNKYRIBZPS-LXTVHRRPSA-N 1 0 303.362 1.397 20 5 DDBDRO CCC[N@H+](C)CC(=O)N(C)CCN(C)c1ccc([N+](=O)[O-])cn1 ZINC001105441974 741696563 /nfs/dbraw/zinc/69/65/63/741696563.db2.gz TXPFVWMUXDSAQB-UHFFFAOYSA-N 1 0 323.397 1.226 20 5 DDBDRO Cc1c[nH]nc1C(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001126852469 742380259 /nfs/dbraw/zinc/38/02/59/742380259.db2.gz PNZQOAXDDBLXDU-UHFFFAOYSA-N 1 0 303.322 1.146 20 5 DDBDRO Cc1nn(C)c(C(=O)N2CC[N@@H+](C3CC3)C[C@H](C)C2)c1[N+](=O)[O-] ZINC001183611606 743860991 /nfs/dbraw/zinc/86/09/91/743860991.db2.gz LGADBJNWEDIHCS-JTQLQIEISA-N 1 0 321.381 1.193 20 5 DDBDRO Cc1nc(C)c(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)o1 ZINC001125208342 749023648 /nfs/dbraw/zinc/02/36/48/749023648.db2.gz HCAZADICTADJIM-UHFFFAOYSA-N 1 0 318.333 1.719 20 5 DDBDRO O=C(N[C@H]1CC[C@H]([NH2+]Cc2ccsc2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001034645325 750627737 /nfs/dbraw/zinc/62/77/37/750627737.db2.gz SNTJZWIRFGBOFA-AAVRWANBSA-N 1 0 323.418 1.930 20 5 DDBDRO COc1ncc([N+](=O)[O-])c(-n2cnc3ccc(C[NH3+])cc32)n1 ZINC001168841055 762065439 /nfs/dbraw/zinc/06/54/39/762065439.db2.gz OKBOQIWQIRSOIN-UHFFFAOYSA-N 1 0 300.278 1.191 20 5 DDBDRO COc1cc(C)c([N+](=O)[O-])cc1-n1cc2c(n1)CC[C@H]([NH3+])C2 ZINC001168818802 762069115 /nfs/dbraw/zinc/06/91/15/762069115.db2.gz ABSKHKYARCSTLV-NSHDSACASA-N 1 0 302.334 1.914 20 5 DDBDRO O=C(NCC1=CC[N@H+](CC2CCCC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001000674178 762078650 /nfs/dbraw/zinc/07/86/50/762078650.db2.gz MGLGXEGENANQSV-HUUCEWRRSA-N 1 0 307.394 1.590 20 5 DDBDRO COCCC1(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001129039922 751112981 /nfs/dbraw/zinc/11/29/81/751112981.db2.gz ZIGUALAPRNALQJ-UHFFFAOYSA-N 1 0 321.377 1.617 20 5 DDBDRO CCOC(=O)COc1ncc(NC2(CC)C[NH2+]C2)cc1[N+](=O)[O-] ZINC001168583197 751140331 /nfs/dbraw/zinc/14/03/31/751140331.db2.gz IDVVBOCEDXJKIB-UHFFFAOYSA-N 1 0 324.337 1.096 20 5 DDBDRO COc1ccc(OC)c(C(=O)C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001168959409 762155228 /nfs/dbraw/zinc/15/52/28/762155228.db2.gz VRRYJOJCFPBUAR-NWDGAFQWSA-N 1 0 322.361 1.922 20 5 DDBDRO CN(Cc1ccccc1)C(=O)C[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168966492 762157660 /nfs/dbraw/zinc/15/76/60/762157660.db2.gz IOWHUBFOCHYKGQ-CABCVRRESA-N 1 0 305.378 1.680 20 5 DDBDRO COc1ccc(OC[C@H](O)C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1 ZINC001168968158 762158539 /nfs/dbraw/zinc/15/85/39/762158539.db2.gz WXDJQQDHYLOUGK-HZSPNIEDSA-N 1 0 324.377 1.470 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CCC2CCS(=O)(=O)CC2)C1 ZINC001168970654 762160552 /nfs/dbraw/zinc/16/05/52/762160552.db2.gz HZQJOFCQXYGPAV-OLZOCXBDSA-N 1 0 304.412 1.236 20 5 DDBDRO O=C1C=CC(=O)N1CCCCC[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168974424 762163998 /nfs/dbraw/zinc/16/39/98/762163998.db2.gz QGQPJQZYRPXDBG-CHWSQXEVSA-N 1 0 309.366 1.117 20 5 DDBDRO COC(=O)CC1([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CCOCC1 ZINC001168987754 762180762 /nfs/dbraw/zinc/18/07/62/762180762.db2.gz KARIXIUSIYKKPY-NEPJUHHUSA-N 1 0 300.355 1.134 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCN(CCc3ccccn3)CC2)C1 ZINC001169027423 762183420 /nfs/dbraw/zinc/18/34/20/762183420.db2.gz PKSRSXRYQWTLNO-WBVHZDCISA-N 1 0 318.421 1.687 20 5 DDBDRO CCOCc1nnn2c1C[N@@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)CCC2 ZINC001169024847 762202010 /nfs/dbraw/zinc/20/20/10/762202010.db2.gz RNRAIWWWUDDCGA-QWHCGFSZSA-N 1 0 323.397 1.466 20 5 DDBDRO CCOC[C@H]1Cn2nccc2C[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169025782 762203600 /nfs/dbraw/zinc/20/36/00/762203600.db2.gz UWQQZUWGWUMIDE-RBSFLKMASA-N 1 0 322.409 1.797 20 5 DDBDRO Cc1cncnc1O[C@@H]1CC[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169053208 762207689 /nfs/dbraw/zinc/20/76/89/762207689.db2.gz IEJSUKLVBVTMAX-MELADBBJSA-N 1 0 306.366 1.684 20 5 DDBDRO COc1cccnc1CNc1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-] ZINC001169207909 762283449 /nfs/dbraw/zinc/28/34/49/762283449.db2.gz YSPXEQQLGXVUBL-UHFFFAOYSA-N 1 0 316.321 1.087 20 5 DDBDRO [NH3+]Cc1cnnn1-c1nc2cc([N+](=O)[O-])ccc2nc1Cl ZINC001169307707 762354966 /nfs/dbraw/zinc/35/49/66/762354966.db2.gz BGGMHPCHQKHGNB-UHFFFAOYSA-N 1 0 305.685 1.231 20 5 DDBDRO C[N@H+]1C[C@H]2CC[C@@H](C1)N2C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000828588417 759684256 /nfs/dbraw/zinc/68/42/56/759684256.db2.gz AWBGDIYUZNZRTG-HZSPNIEDSA-N 1 0 321.377 1.113 20 5 DDBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2cccc(Cl)n2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001020139165 760613056 /nfs/dbraw/zinc/61/30/56/760613056.db2.gz UOBVKRAVOMEHDP-DDHJBXDOSA-N 1 0 324.768 1.137 20 5 DDBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccc(CF)cc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001020139335 760613644 /nfs/dbraw/zinc/61/36/44/760613644.db2.gz YFFFSJWZLSEVGQ-KBUPBQIOSA-N 1 0 321.352 1.558 20 5 DDBDRO Cc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cc1 ZINC001086363530 761492888 /nfs/dbraw/zinc/49/28/88/761492888.db2.gz ZOZKVARHBUEGAT-KLHDSHLOSA-N 1 0 317.389 1.645 20 5 DDBDRO C[C@@H]1CN(c2cc3ncnc(Cl)c3cc2[N+](=O)[O-])CC[NH2+]1 ZINC001156689368 763676258 /nfs/dbraw/zinc/67/62/58/763676258.db2.gz ZNLIOGQQALXERO-MRVPVSSYSA-N 1 0 307.741 1.990 20 5 DDBDRO O=[N+]([O-])c1c(Cl)nc(C2CC2)nc1NC[C@@H]1COCC[NH2+]1 ZINC001170035176 764259563 /nfs/dbraw/zinc/25/95/63/764259563.db2.gz JJYPHIVGWKYBFB-MRVPVSSYSA-N 1 0 313.745 1.316 20 5 DDBDRO C[C@@H](Nc1ccc([N+](=O)[O-])c2c1CCN(C)C2)[C@H]1C[NH2+]CCO1 ZINC001170577366 768264483 /nfs/dbraw/zinc/26/44/83/768264483.db2.gz ZFFNTXJYUKMEBX-BDJLRTHQSA-N 1 0 320.393 1.372 20 5 DDBDRO COc1ccc(C[C@H](C)[NH2+]CCN2CC[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC001170304244 766230332 /nfs/dbraw/zinc/23/03/32/766230332.db2.gz AIPSWCGNWRDYST-GXTWGEPZSA-N 1 0 323.393 1.191 20 5 DDBDRO COC(=O)[C@@H]1C[C@H]1C[NH2+][C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170317261 766247627 /nfs/dbraw/zinc/24/76/27/766247627.db2.gz DHSUBZXYWYFOGI-SCDSUCTJSA-N 1 0 322.361 1.933 20 5 DDBDRO COc1ccc(C[C@H](C)[N@@H+]2CC[C@H](CO)[C@H](O)C2)c([N+](=O)[O-])c1 ZINC001170334312 766256925 /nfs/dbraw/zinc/25/69/25/766256925.db2.gz CAJBUYDAPHSDCN-NORZTCDRSA-N 1 0 324.377 1.210 20 5 DDBDRO COc1ccc(C[C@@H](C)[NH2+]CC2(C)OCCO2)c([N+](=O)[O-])c1 ZINC001170308784 766259373 /nfs/dbraw/zinc/25/93/73/766259373.db2.gz OUCPSPBMXWCFOS-LLVKDONJSA-N 1 0 310.350 1.887 20 5 DDBDRO COc1ccc(C[C@@H](C)n2ccnc2C(N)=[NH2+])c([N+](=O)[O-])c1 ZINC001170309650 766259487 /nfs/dbraw/zinc/25/94/87/766259487.db2.gz QYOCFWUMKMVVIL-SECBINFHSA-N 1 0 303.322 1.888 20 5 DDBDRO [NH3+]Cc1nnnn1-c1cc2ccc(Cl)nc2cc1[N+](=O)[O-] ZINC001158080783 767719963 /nfs/dbraw/zinc/71/99/63/767719963.db2.gz ZVVMNYKDIJAIFY-UHFFFAOYSA-N 1 0 305.685 1.231 20 5 DDBDRO Cc1ncc(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)n1C ZINC001132889402 769291796 /nfs/dbraw/zinc/29/17/96/769291796.db2.gz CPNXFSPVFQONNM-UHFFFAOYSA-N 1 0 317.349 1.156 20 5 DDBDRO Cc1ccnn1CC(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001134523912 771034184 /nfs/dbraw/zinc/03/41/84/771034184.db2.gz OQCSTVWNPSDEKU-UHFFFAOYSA-N 1 0 323.378 1.067 20 5 DDBDRO O=[N+]([O-])c1cc(Cl)c(Cl)nc1N[C@H]1C[NH2+]C[C@@H]1CO ZINC001159671716 771818745 /nfs/dbraw/zinc/81/87/45/771818745.db2.gz LCJRTXYPPVVTKK-VDTYLAMSSA-N 1 0 307.137 1.289 20 5 DDBDRO COc1nc(NCC[C@H]2CCC[N@@H+]2C)nc(OC)c1[N+](=O)[O-] ZINC001160964852 772882061 /nfs/dbraw/zinc/88/20/61/772882061.db2.gz RMNTZYDIQGFIKD-SECBINFHSA-N 1 0 311.342 1.298 20 5 DDBDRO COc1nc(SC)nc(NC[C@@H]2CCCC[NH2+]2)c1[N+](=O)[O-] ZINC001171328154 773415378 /nfs/dbraw/zinc/41/53/78/773415378.db2.gz LYLHOIJRMSBYLP-QMMMGPOBSA-N 1 0 313.383 1.669 20 5 DDBDRO Cc1cc(N(C)CCNC(=O)C[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC001100115411 775700886 /nfs/dbraw/zinc/70/08/86/775700886.db2.gz OGDHYIZOQQROSQ-UHFFFAOYSA-N 1 0 320.393 1.551 20 5 DDBDRO CC[N@H+](C)CCC(=O)NCCCNc1ccc([N+](=O)[O-])cc1 ZINC001094573748 776048321 /nfs/dbraw/zinc/04/83/21/776048321.db2.gz GBVQXXNGMZHGGK-UHFFFAOYSA-N 1 0 308.382 1.855 20 5 DDBDRO O=C1NCCC[C@H]1[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172900295 776914882 /nfs/dbraw/zinc/91/48/82/776914882.db2.gz SBOGYEFFKLFWFD-DZGCQCFKSA-N 1 0 303.362 1.710 20 5 DDBDRO NC(=O)[C@@H]1CC[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172914845 776928930 /nfs/dbraw/zinc/92/89/30/776928930.db2.gz KJMHWUHIHLIMFU-KGLIPLIRSA-N 1 0 303.362 1.649 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@@H]2COC[C@@H]2F)c1F ZINC001173187139 777036889 /nfs/dbraw/zinc/03/68/89/777036889.db2.gz XUPKRHOUANDFQD-DVVUODLYSA-N 1 0 316.304 2.000 20 5 DDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@H]2CN(C)C(=O)[C@H]2C1 ZINC001173227389 777062543 /nfs/dbraw/zinc/06/25/43/777062543.db2.gz OCRIOMMJHBTCIP-KYOSRNDESA-N 1 0 303.362 1.546 20 5 DDBDRO C[NH+](C)CC[C@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC001177533451 778639918 /nfs/dbraw/zinc/63/99/18/778639918.db2.gz ZFWJKICTIHUKGJ-NSHDSACASA-N 1 0 306.366 1.591 20 5 DDBDRO CN(C)c1cc[nH+]c(CNC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)c1 ZINC001177953682 778804218 /nfs/dbraw/zinc/80/42/18/778804218.db2.gz OZOPRCDDVYVFMI-UHFFFAOYSA-N 1 0 324.728 1.362 20 5 DDBDRO Cc1nn(C)c(C(=O)N[C@H]2CCCC[C@@H]2[NH+](C)C)c1[N+](=O)[O-] ZINC001116031336 780468298 /nfs/dbraw/zinc/46/82/98/780468298.db2.gz DZUSQMBDGXKDRN-QWRGUYRKSA-N 1 0 309.370 1.239 20 5 DDBDRO CC[C@]1(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)CC[NH2+]C1 ZINC001118202340 781059798 /nfs/dbraw/zinc/05/97/98/781059798.db2.gz RQERLLAEMGJXRM-AWEZNQCLSA-N 1 0 303.322 1.799 20 5 DDBDRO C[NH2+][C@H](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC001118237649 781072335 /nfs/dbraw/zinc/07/23/35/781072335.db2.gz GMVGRXSXMZHZEY-SNVBAGLBSA-N 1 0 301.368 1.180 20 5 DDBDRO O=C([C@H](F)[C@H]1CC[NH2+]C1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001119236800 781373813 /nfs/dbraw/zinc/37/38/13/781373813.db2.gz DEXPPEYOVARPBJ-SMDDNHRTSA-N 1 0 307.325 1.427 20 5 DDBDRO C[C@H]1CN(c2cc[nH+]cc2)CCN1Cn1cc([N+](=O)[O-])cn1 ZINC001119337601 781411122 /nfs/dbraw/zinc/41/11/22/781411122.db2.gz IZLZAHZHUNPWLJ-LBPRGKRZSA-N 1 0 302.338 1.355 20 5 DDBDRO O=C(NCC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)C(F)F ZINC001266579495 836492035 /nfs/dbraw/zinc/49/20/35/836492035.db2.gz QQVZKXICSRXOFW-UHFFFAOYSA-N 1 0 313.304 1.941 20 5 DDBDRO Cc1cc(C(=O)NCCC[NH2+]Cc2csc([N+](=O)[O-])c2)on1 ZINC001154554966 861211772 /nfs/dbraw/zinc/21/17/72/861211772.db2.gz OBMIRLZTIAMOBN-UHFFFAOYSA-N 1 0 324.362 1.862 20 5 DDBDRO C[NH2+][C@H](C)CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000124261533 861277898 /nfs/dbraw/zinc/27/78/98/861277898.db2.gz SVJWZMHDRWODQP-SNVBAGLBSA-N 1 0 301.368 1.180 20 5 DDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC001326588466 861463602 /nfs/dbraw/zinc/46/36/02/861463602.db2.gz IALPMXJUQNFJBY-ZBEGNZNMSA-N 1 0 318.377 1.838 20 5 DDBDRO C[NH+](C)C[C@@H]1COCCN1c1nccc2ccc([N+](=O)[O-])cc21 ZINC001154977734 861617056 /nfs/dbraw/zinc/61/70/56/861617056.db2.gz NXSHZBMAMYYUNZ-CQSZACIVSA-N 1 0 316.361 1.910 20 5 DDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC001326847327 861656331 /nfs/dbraw/zinc/65/63/31/861656331.db2.gz QSMDTBKBWMNRGA-LEWSCRJBSA-N 1 0 318.377 1.836 20 5 DDBDRO COC(=O)[C@@H](Nc1cnc2ccc([N+](=O)[O-])cc2n1)C(C)(C)[NH3+] ZINC001155368186 862000990 /nfs/dbraw/zinc/00/09/90/862000990.db2.gz BYZCKVSGPQLRFK-GFCCVEGCSA-N 1 0 319.321 1.229 20 5 DDBDRO CCOc1nc(N[C@H]2COCCC23C[NH2+]C3)ccc1[N+](=O)[O-] ZINC001155467375 862118286 /nfs/dbraw/zinc/11/82/86/862118286.db2.gz FRWVTXHJZPKSQQ-NSHDSACASA-N 1 0 308.338 1.179 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(NC[C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)nc1Cl ZINC001155482838 862143662 /nfs/dbraw/zinc/14/36/62/862143662.db2.gz HKQAFUNDNQEHAW-FXPVBKGRSA-N 1 0 312.757 1.598 20 5 DDBDRO O=[N+]([O-])c1cnc(NCc2noc3c2C[NH2+]CC3)c(Cl)c1 ZINC001155495100 862157062 /nfs/dbraw/zinc/15/70/62/862157062.db2.gz NGFHANZQQNONSG-UHFFFAOYSA-N 1 0 309.713 1.889 20 5 DDBDRO O=[N+]([O-])c1cccc2nc(NC[C@]34C[NH2+]C[C@H]3COC4)ccc21 ZINC001155517115 862181945 /nfs/dbraw/zinc/18/19/45/862181945.db2.gz RAPLXQRFZOTMEV-ZBEGNZNMSA-N 1 0 314.345 1.791 20 5 DDBDRO Cc1cc(Cl)c([N+](=O)[O-])c(NC[C@]23C[NH2+]C[C@H]2COC3)n1 ZINC001155517106 862182615 /nfs/dbraw/zinc/18/26/15/862182615.db2.gz QQLNDEQMTLXXKW-ZANVPECISA-N 1 0 312.757 1.600 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)ncnc2NC[C@@]12C[NH2+][C@@H](CO1)C2 ZINC001155541644 862208693 /nfs/dbraw/zinc/20/86/93/862208693.db2.gz NLWOIEQRENYUHG-YMTOWFKASA-N 1 0 301.306 1.081 20 5 DDBDRO O=[N+]([O-])c1ccc2c(ccnc2N[C@H]2C[NH2+][C@@H]3CCO[C@@H]32)c1 ZINC001155641801 862328304 /nfs/dbraw/zinc/32/83/04/862328304.db2.gz CBVGDVQWMOUHTC-RDBSUJKOSA-N 1 0 300.318 1.684 20 5 DDBDRO Nc1cc[nH+]cc1-c1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001212999292 862490879 /nfs/dbraw/zinc/49/08/79/862490879.db2.gz XGLGULMGLIFPPX-UHFFFAOYSA-N 1 0 302.225 1.653 20 5 DDBDRO CN(CCC[NH2+]Cc1c([N+](=O)[O-])ncn1C)C(=O)C1CC=CC1 ZINC001275921945 853956024 /nfs/dbraw/zinc/95/60/24/853956024.db2.gz FVLRLCMJCCOQKZ-UHFFFAOYSA-N 1 0 321.381 1.233 20 5 DDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CC[N@H+](Cc1ccsc1)C2 ZINC001072725869 857641916 /nfs/dbraw/zinc/64/19/16/857641916.db2.gz UQTVECWJSIUILS-CHWSQXEVSA-N 1 0 321.402 1.448 20 5 DDBDRO [NH3+]CCCSCCC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC001121886737 858619769 /nfs/dbraw/zinc/61/97/69/858619769.db2.gz BMWHJRGFXIKUCP-UHFFFAOYSA-N 1 0 311.407 1.726 20 5 DDBDRO O=C([C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC001121932264 858638064 /nfs/dbraw/zinc/63/80/64/858638064.db2.gz WNOJPSLJSCCYCE-ZMSDIMECSA-N 1 0 315.373 1.910 20 5 DDBDRO O=C(N[C@@H]1COC2(C[NH2+]C2)C1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC001122142766 858695773 /nfs/dbraw/zinc/69/57/73/858695773.db2.gz ZUYJMJIBHWXOHY-JTQLQIEISA-N 1 0 311.725 1.109 20 5 DDBDRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)C2 ZINC001122203592 858712410 /nfs/dbraw/zinc/71/24/10/858712410.db2.gz OXQZDBIKFFZITL-MKVSYHDVSA-N 1 0 315.373 1.766 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC001122244906 858724648 /nfs/dbraw/zinc/72/46/48/858724648.db2.gz APFWKUYZNCXYRE-LBPRGKRZSA-N 1 0 307.350 1.803 20 5 DDBDRO O=C(COc1ccccc1[N+](=O)[O-])NCC[C@@H]1CCC[NH2+]CC1 ZINC001122507627 858858937 /nfs/dbraw/zinc/85/89/37/858858937.db2.gz AZUTVOGKCYTXFH-CYBMUJFWSA-N 1 0 321.377 1.870 20 5 DDBDRO Cc1cnc(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC001122917841 859007469 /nfs/dbraw/zinc/00/74/69/859007469.db2.gz SROSJKSHQHYNKA-UHFFFAOYSA-N 1 0 315.333 1.213 20 5 DDBDRO Cc1cc(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)no1 ZINC001123186450 859120275 /nfs/dbraw/zinc/12/02/75/859120275.db2.gz BHWOFQHUXPDCOJ-UHFFFAOYSA-N 1 0 304.306 1.411 20 5 DDBDRO C[C@@H]1C[C@@H]2CC[C@H](C(=O)NCCn3cc([N+](=O)[O-])cn3)C[N@@H+]2C1 ZINC001123668794 859353079 /nfs/dbraw/zinc/35/30/79/859353079.db2.gz HIGHYNGCOLJXKA-AGIUHOORSA-N 1 0 321.381 1.028 20 5 DDBDRO Cc1cncc(C(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)c1 ZINC001125190682 859914463 /nfs/dbraw/zinc/91/44/63/859914463.db2.gz PYTZRPLURUCOOI-UHFFFAOYSA-N 1 0 320.374 1.879 20 5 DDBDRO O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCCC[NH+]1CCCCC1)C2 ZINC001224861271 881564377 /nfs/dbraw/zinc/56/43/77/881564377.db2.gz VPMWJWCOFVMNLS-LBPRGKRZSA-N 1 0 310.354 1.445 20 5 DDBDRO C[C@@H]1CC[C@@H](NC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)C[NH2+]1 ZINC001328965488 863380360 /nfs/dbraw/zinc/38/03/60/863380360.db2.gz IQSSDTVSPLHKAA-ZWNOBZJWSA-N 1 0 304.350 1.761 20 5 DDBDRO [NH3+]CCc1cn(-c2cc([N+](=O)[O-])cc[n+]2[O-])c2ccc(O)cc12 ZINC001157215558 863658879 /nfs/dbraw/zinc/65/88/79/863658879.db2.gz XHNOOTFFQYELKU-UHFFFAOYSA-N 1 0 314.301 1.379 20 5 DDBDRO Cc1nc(C(C)C)oc1C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157767771 864118136 /nfs/dbraw/zinc/11/81/36/864118136.db2.gz TWZDKTJDKVGVAH-VXGBXAGGSA-N 1 0 324.381 1.368 20 5 DDBDRO CCc1cccc(C[NH2+]CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC001157767883 864118737 /nfs/dbraw/zinc/11/87/37/864118737.db2.gz ZVCHFHYXSLRUCG-HUUCEWRRSA-N 1 0 305.378 1.510 20 5 DDBDRO [NH3+]CC1(NC(=O)c2cccc3nc4ccccc4nc32)COC1 ZINC001153870928 864182915 /nfs/dbraw/zinc/18/29/15/864182915.db2.gz QBNWULKGLMXNPQ-UHFFFAOYSA-N 1 0 308.341 1.241 20 5 DDBDRO COc1ncnc(N(CC(C)(C)C)C2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001157883705 864219529 /nfs/dbraw/zinc/21/95/29/864219529.db2.gz AQWHYISOURBZTD-UHFFFAOYSA-N 1 0 323.397 1.998 20 5 DDBDRO O=[N+]([O-])c1ccc(-c2ccc(N3CC[N@@H+]4CC[C@@H]4C3)nn2)cc1 ZINC001158434473 864653164 /nfs/dbraw/zinc/65/31/64/864653164.db2.gz SEEWGLKXFFYOCB-CQSZACIVSA-N 1 0 311.345 1.946 20 5 DDBDRO CCOC(=O)C1(Nc2nc(C)ncc2[N+](=O)[O-])CC[NH+](C)CC1 ZINC001158572654 864740012 /nfs/dbraw/zinc/74/00/12/864740012.db2.gz UCGWNGDEOSMGAY-UHFFFAOYSA-N 1 0 323.353 1.133 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])cnc1NC(C)(C)CC[NH+](C)C ZINC001158753638 864881991 /nfs/dbraw/zinc/88/19/91/864881991.db2.gz GXOXRKNCYLQVDS-UHFFFAOYSA-N 1 0 310.354 1.919 20 5 DDBDRO Cc1cc(C(=O)N(CC[NH3+])CC(F)(F)F)cc([N+](=O)[O-])c1 ZINC001331350872 865024856 /nfs/dbraw/zinc/02/48/56/865024856.db2.gz SMGZIPVFHNEKNS-UHFFFAOYSA-N 1 0 305.256 1.866 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])cc1O[C@@H]1C[NH+]2CCC1CC2 ZINC001225447766 881837991 /nfs/dbraw/zinc/83/79/91/881837991.db2.gz MXWLPMKGJKGNCW-CQSZACIVSA-N 1 0 306.318 1.854 20 5 DDBDRO C[C@H](Nc1nc2ccccc2cc1[N+](=O)[O-])[C@H]1C[NH2+]CCO1 ZINC001159499873 865357654 /nfs/dbraw/zinc/35/76/54/865357654.db2.gz QGTGUXDLZPHOTC-IINYFYTJSA-N 1 0 302.334 1.932 20 5 DDBDRO CCOc1nc(N[C@]2(C[NH3+])CN3CCC2CC3)ccc1[N+](=O)[O-] ZINC001160513545 865899044 /nfs/dbraw/zinc/89/90/44/865899044.db2.gz PDAXZRBQDMYGIH-OAHLLOKOSA-N 1 0 321.381 1.224 20 5 DDBDRO C[NH+]1CCC(C(=O)N[C@](C)(CO)c2cccc([N+](=O)[O-])c2)CC1 ZINC001332679283 866061259 /nfs/dbraw/zinc/06/12/59/866061259.db2.gz CEIITRSMMLFDLA-MRXNPFEDSA-N 1 0 321.377 1.260 20 5 DDBDRO Nc1nc(N[C@H]2CC[NH2+]C[C@@H]2C(F)(F)F)ccc1[N+](=O)[O-] ZINC001160736625 866085142 /nfs/dbraw/zinc/08/51/42/866085142.db2.gz DIUZEOFOJNNSEX-BQBZGAKWSA-N 1 0 305.260 1.524 20 5 DDBDRO COc1cc(C)c([N+](=O)[O-])cc1N[C@@H](C)CN1CC[NH2+]CC1 ZINC001162097128 867247993 /nfs/dbraw/zinc/24/79/93/867247993.db2.gz HZVJRKKZQQNCSC-LBPRGKRZSA-N 1 0 308.382 1.617 20 5 DDBDRO COCC1(C(=O)NCCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001162511676 867599822 /nfs/dbraw/zinc/59/98/22/867599822.db2.gz ANZIWILDURHQLX-UHFFFAOYSA-N 1 0 321.377 1.617 20 5 DDBDRO CCOC(=O)c1ccnc(N[C@@H]2C=C[C@H]3C[NH2+]C[C@@H]32)c1[N+](=O)[O-] ZINC001162802346 867837242 /nfs/dbraw/zinc/83/72/42/867837242.db2.gz MNBVBOVXUXWQQH-ZMLRMANQSA-N 1 0 318.333 1.352 20 5 DDBDRO COc1nc(N2C[C@@H]([NH3+])Cc3ccccc32)nc(C)c1[N+](=O)[O-] ZINC001162846127 867862731 /nfs/dbraw/zinc/86/27/31/867862731.db2.gz ZJLZZFLWBKBRIR-NSHDSACASA-N 1 0 315.333 1.723 20 5 DDBDRO Nc1cc(N2CCC(C3=CC=C(N)C[NH2+]3)CC2)ncc1[N+](=O)[O-] ZINC001163133863 868143763 /nfs/dbraw/zinc/14/37/63/868143763.db2.gz MJVRSEPSRDODSL-UHFFFAOYSA-N 1 0 316.365 1.118 20 5 DDBDRO Cc1c[n+]([O-])c(N[C@H]2C[NH2+]Cc3ccsc32)cc1[N+](=O)[O-] ZINC001163220746 868228921 /nfs/dbraw/zinc/22/89/21/868228921.db2.gz VFWIQPXLVIAHSZ-JTQLQIEISA-N 1 0 306.347 1.855 20 5 DDBDRO COC(=O)c1ncc([N+](=O)[O-])cc1N[C@H]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC001163268535 868287101 /nfs/dbraw/zinc/28/71/01/868287101.db2.gz LFSFIKOCDRLSDO-MIMYLULJSA-N 1 0 306.322 1.186 20 5 DDBDRO COc1nc(N[C@H]2CCO[C@@]3(CC[NH2+]C3)C2)nc(C)c1[N+](=O)[O-] ZINC001163312897 868342127 /nfs/dbraw/zinc/34/21/27/868342127.db2.gz WHLXBTXBLZXRFA-HZMBPMFUSA-N 1 0 323.353 1.025 20 5 DDBDRO C[C@@H](NC(=O)N1CCOC2(C[NH2+]C2)C1)c1ccc([N+](=O)[O-])cc1 ZINC001335622869 868431995 /nfs/dbraw/zinc/43/19/95/868431995.db2.gz KGOFKUQYHAPEQE-LLVKDONJSA-N 1 0 320.349 1.040 20 5 DDBDRO CCOC(=O)c1cn(-c2ccc([N+](=O)[O-])c(C)n2)nc1C[NH3+] ZINC001163521745 868502534 /nfs/dbraw/zinc/50/25/34/868502534.db2.gz QHFJZOGUCBIWQO-UHFFFAOYSA-N 1 0 305.294 1.119 20 5 DDBDRO CN(CC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC(F)F ZINC001335952266 868642041 /nfs/dbraw/zinc/64/20/41/868642041.db2.gz UQNABPFHRGLHKE-GFCCVEGCSA-N 1 0 303.309 1.415 20 5 DDBDRO O=C(N[C@@H]1C[NH+]2CCC1CC2)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001336055051 868702116 /nfs/dbraw/zinc/70/21/16/868702116.db2.gz NNJCTKQHDGNPLQ-BZUAXINKSA-N 1 0 315.373 1.909 20 5 DDBDRO CC(C)[N@@H+]1CC[C@H](C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001336762924 869129012 /nfs/dbraw/zinc/12/90/12/869129012.db2.gz JQZIEUZWERRKAH-CZUORRHYSA-N 1 0 307.394 1.948 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H]2[C@H]3Cc4ccccc4[C@@H]23)c1 ZINC001336853818 869184839 /nfs/dbraw/zinc/18/48/39/869184839.db2.gz JCBUYYXSJGCNQN-ARLBYUKCSA-N 1 0 314.345 1.080 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@H](C[NH3+])CC[C@@H]2C)n1 ZINC001164473491 869219375 /nfs/dbraw/zinc/21/93/75/869219375.db2.gz GRZQFNKBYCGXNX-UWVGGRQHSA-N 1 0 308.338 1.340 20 5 DDBDRO O=[N+]([O-])c1ccc2nc(N3CCC(C4C[NH2+]C4)CC3)cnc2c1 ZINC001165410874 869576279 /nfs/dbraw/zinc/57/62/79/869576279.db2.gz NIIOINRUNCJMDF-UHFFFAOYSA-N 1 0 313.361 1.974 20 5 DDBDRO CN(CC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)c1ccncn1 ZINC001317640146 871281467 /nfs/dbraw/zinc/28/14/67/871281467.db2.gz PCSWQHYYUMABER-UHFFFAOYSA-N 1 0 321.362 1.308 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@H]1CCOCC12CCCC2 ZINC001308163433 871474560 /nfs/dbraw/zinc/47/45/60/871474560.db2.gz LDVGIWITNNYEJV-AWEZNQCLSA-N 1 0 321.377 1.695 20 5 DDBDRO CC(C)C[C@@H](C[NH3+])NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC001341041223 871476005 /nfs/dbraw/zinc/47/60/05/871476005.db2.gz SJAKRMHIFKGELV-JTQLQIEISA-N 1 0 323.349 1.469 20 5 DDBDRO CCO[C@H](CNC(=O)NCc1ccc([N+](=O)[O-])cc1)C[NH+](C)C ZINC001341252950 871577993 /nfs/dbraw/zinc/57/79/93/871577993.db2.gz TZZYDXPWCSVPIQ-CQSZACIVSA-N 1 0 324.381 1.361 20 5 DDBDRO CC1(C)C[NH2+]C[C@H]1NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC001341464838 871668332 /nfs/dbraw/zinc/66/83/32/871668332.db2.gz HAUNEFHKDMXGHW-CYBMUJFWSA-N 1 0 307.350 1.478 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[NH+](C(C)(C)C)CC1 ZINC001318026174 871696112 /nfs/dbraw/zinc/69/61/12/871696112.db2.gz HIDXSETTZXTKBG-UHFFFAOYSA-N 1 0 309.370 1.042 20 5 DDBDRO COc1cc(C(=O)NCC[C@@H]2C[NH2+]C[C@H]2C)ccc1[N+](=O)[O-] ZINC001342432292 872206192 /nfs/dbraw/zinc/20/61/92/872206192.db2.gz MTJCHTCVHBJFDF-ZYHUDNBSSA-N 1 0 307.350 1.579 20 5 DDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)NCC[C@@H]1C[NH2+]C[C@H]1C ZINC001342514076 872242437 /nfs/dbraw/zinc/24/24/37/872242437.db2.gz JEMUOYNWNDCJPJ-GHMZBOCLSA-N 1 0 306.366 1.612 20 5 DDBDRO CS[C@H]1CC[C@H]([N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC001319451829 872636197 /nfs/dbraw/zinc/63/61/97/872636197.db2.gz QQCUGUIIBJOVSI-AAEUAGOBSA-N 1 0 311.407 1.972 20 5 DDBDRO O=C([C@@H]1[C@@H]2CC[NH2+]C[C@@H]21)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001343528129 872661144 /nfs/dbraw/zinc/66/11/44/872661144.db2.gz XEJJMJRIJDMWJQ-OWCLPIDISA-N 1 0 315.373 1.941 20 5 DDBDRO [NH3+]C1(CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC001345294842 873340452 /nfs/dbraw/zinc/34/04/52/873340452.db2.gz MDXNQSVJTPYQAE-UHFFFAOYSA-N 1 0 303.240 1.835 20 5 DDBDRO Cc1n[nH]c(=O)c(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)c1C ZINC001345606874 873454320 /nfs/dbraw/zinc/45/43/20/873454320.db2.gz ROEOLFXFYGKWGP-AWEZNQCLSA-N 1 0 318.333 1.530 20 5 DDBDRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC001348998646 874915283 /nfs/dbraw/zinc/91/52/83/874915283.db2.gz MLTKTYAHMOTCFZ-NWDGAFQWSA-N 1 0 322.340 1.625 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC001351177298 876100554 /nfs/dbraw/zinc/10/05/54/876100554.db2.gz PIRHQYMHAUDIHI-NEPJUHHUSA-N 1 0 323.397 1.479 20 5 DDBDRO CCO[C@@H](CNc1c2c(ccc1[N+](=O)[O-])NCC2)C[NH+](C)C ZINC001352088101 876592659 /nfs/dbraw/zinc/59/26/59/876592659.db2.gz YZOLAZINNOEEIQ-NSHDSACASA-N 1 0 308.382 1.941 20 5 DDBDRO Cc1cc(NC(=O)NCCN2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001216266024 876906547 /nfs/dbraw/zinc/90/65/47/876906547.db2.gz YFXZLFRZXVCFPM-UHFFFAOYSA-N 1 0 321.381 1.272 20 5 DDBDRO C[C@@H]1CN(C(=O)c2c[nH]nc2[N+](=O)[O-])CC[N@@H+]1C1CCCC1 ZINC001352968522 877045842 /nfs/dbraw/zinc/04/58/42/877045842.db2.gz FUUSLODMHSUCAA-SNVBAGLBSA-N 1 0 307.354 1.407 20 5 DDBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001353374988 877284838 /nfs/dbraw/zinc/28/48/38/877284838.db2.gz APSRWNTUFQBOFH-JIMOISOXSA-N 1 0 324.768 1.940 20 5 DDBDRO O=C(CC[NH2+][C@@H]1COC[C@@H]1C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC001353375817 877286752 /nfs/dbraw/zinc/28/67/52/877286752.db2.gz HUXOAUBULSHEOV-TZMCWYRMSA-N 1 0 319.361 1.938 20 5 DDBDRO Nc1ccc2n(C(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)c3ccccc3cc-2c1=O ZINC001219255559 878060902 /nfs/dbraw/zinc/06/09/02/878060902.db2.gz FTRXJOUWFUCNFD-LAQFHYBYSA-N 1 0 319.364 1.794 20 5 DDBDRO CC[N@@H+]1CC[C@H](N(C)c2nnc(CCC[N+](=O)[O-])n2C)[C@@H](C)C1 ZINC001355391971 878532909 /nfs/dbraw/zinc/53/29/09/878532909.db2.gz NSEGMRIUYCCROB-STQMWFEESA-N 1 0 324.429 1.191 20 5 DDBDRO O=C(N[C@]12CCC[C@H]1C[NH2+]C2)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001355730103 878694578 /nfs/dbraw/zinc/69/45/78/878694578.db2.gz MLIBLPCJNFTSQM-GUSZCTEKSA-N 1 0 315.373 1.957 20 5 DDBDRO C[C@H](CNC(=O)NCC[NH2+]C1CC1)c1ccccc1[N+](=O)[O-] ZINC001357434104 879970067 /nfs/dbraw/zinc/97/00/67/879970067.db2.gz GFLVDLAHQRQEKV-LLVKDONJSA-N 1 0 306.366 1.750 20 5 DDBDRO CN(CC(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1ccccc1[N+](=O)[O-] ZINC001358464296 880441343 /nfs/dbraw/zinc/44/13/43/880441343.db2.gz YDSNBBQYINCNNQ-QJPTWQEYSA-N 1 0 304.350 1.040 20 5 DDBDRO O=C(NCC1CC[NH+](CCCCCF)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001223114749 880837611 /nfs/dbraw/zinc/83/76/11/880837611.db2.gz RDAHJCASNXRGED-ZIAGYGMSSA-N 1 0 315.389 1.620 20 5 DDBDRO CCOC(=O)c1c[nH]c2c1ncnc2O[C@@H](C)C[N+](C)(C)C ZINC001228913798 883726334 /nfs/dbraw/zinc/72/63/34/883726334.db2.gz NQJLEWSLOWRCHK-JTQLQIEISA-O 1 0 307.374 1.608 20 5 DDBDRO C[NH+]1CCC2(CC[C@@H](COc3cc[n+]([O-])cc3[N+](=O)[O-])O2)CC1 ZINC001229453553 883989176 /nfs/dbraw/zinc/98/91/76/883989176.db2.gz GCRWLFFEFOJTFS-LBPRGKRZSA-N 1 0 323.349 1.250 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc2c(cc[nH]c2=O)c1 ZINC001233723484 887252495 /nfs/dbraw/zinc/25/24/95/887252495.db2.gz VWGXLLGAQWGMDI-GFCCVEGCSA-O 1 0 305.354 1.303 20 5 DDBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(O[C@@H]2CC[N@@H+](C(C)C)C2)n1 ZINC001234910139 888245878 /nfs/dbraw/zinc/24/58/78/888245878.db2.gz MOLWHZHOCWYXPE-LLVKDONJSA-N 1 0 323.353 1.513 20 5 DDBDRO CCOCCC(=O)NCCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC001235585120 888775588 /nfs/dbraw/zinc/77/55/88/888775588.db2.gz VLLCOFXSIRUYFE-UHFFFAOYSA-N 1 0 323.393 1.960 20 5 DDBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@@H]2COC3(C[NH2+]C3)C2)n1 ZINC001247872073 893446611 /nfs/dbraw/zinc/44/66/11/893446611.db2.gz KEEMTZSFDPIBSV-ZETCQYMHSA-N 1 0 321.268 1.025 20 5 DDBDRO CS(=O)(=O)[C@H]1C[C@H]([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254575089 896510257 /nfs/dbraw/zinc/51/02/57/896510257.db2.gz NTDTXYAGWUNMRR-YRGRVCCFSA-N 1 0 310.375 1.227 20 5 DDBDRO CC1([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCS(=O)(=O)CC1 ZINC001254585872 896515135 /nfs/dbraw/zinc/51/51/35/896515135.db2.gz HDYKBYIZEGKIHF-ZDUSSCGKSA-N 1 0 324.402 1.619 20 5 DDBDRO C[N@H+](C1CN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1)[C@@H]1CCOC1 ZINC001254604605 896528357 /nfs/dbraw/zinc/52/83/57/896528357.db2.gz WWFNXFGEJQDQEA-CVEARBPZSA-N 1 0 317.389 1.467 20 5 DDBDRO COc1ccc2ncc([N+](=O)[O-])c(NC[C@H]3CC[N@H+](C)C3)c2c1 ZINC001262060197 899922932 /nfs/dbraw/zinc/92/29/32/899922932.db2.gz SOHHWAXEUJMZKK-LLVKDONJSA-N 1 0 316.361 1.937 20 5 DDBDRO Cc1ccc(CNC(=O)[C@@H]2[NH2+]CC23CCOCC3)cc1[N+](=O)[O-] ZINC001263174644 900523092 /nfs/dbraw/zinc/52/30/92/900523092.db2.gz FLKZZKIIYQPWMK-AWEZNQCLSA-N 1 0 319.361 1.288 20 5 DDBDRO CN(CC1([NH+](C)C)CCC1)C(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001296647299 916517628 /nfs/dbraw/zinc/51/76/28/916517628.db2.gz HHDSNTXSYAFEDT-UHFFFAOYSA-N 1 0 307.354 1.128 20 5 DDBDRO O=C1NCCN1CC[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451550132 231124636 /nfs/dbraw/zinc/12/46/36/231124636.db2.gz REZBRCHPDDQYSC-AWEZNQCLSA-N 1 0 318.377 1.799 20 5 DDBDRO CN(C(=O)CN1C[C@@H]2CC[N@H+](C)[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000451627401 231143664 /nfs/dbraw/zinc/14/36/64/231143664.db2.gz GYVJQBRLQYDGEY-SWLSCSKDSA-N 1 0 318.377 1.194 20 5 DDBDRO COC(=O)c1cnc(N[C@H]2CC[N@@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000358133547 299085208 /nfs/dbraw/zinc/08/52/08/299085208.db2.gz ZCMQRIAYVSAWQJ-JTQLQIEISA-N 1 0 306.322 1.425 20 5 DDBDRO CC[C@]1(CO)CCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000251499132 282201485 /nfs/dbraw/zinc/20/14/85/282201485.db2.gz BLJGYCRDLPDMAZ-CZUORRHYSA-N 1 0 324.377 1.571 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[N@H+](C)CC1 ZINC000181330230 199281898 /nfs/dbraw/zinc/28/18/98/199281898.db2.gz BSMGCJRITRTSTN-UHFFFAOYSA-N 1 0 308.338 1.773 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC000090552772 185302979 /nfs/dbraw/zinc/30/29/79/185302979.db2.gz BWRJNKKFBHSNNV-OCCSQVGLSA-N 1 0 307.350 1.257 20 5 DDBDRO Cc1nn(C)c(NC[C@@H](O)C[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000078727598 282274637 /nfs/dbraw/zinc/27/46/37/282274637.db2.gz SMWCVHIOXAILPQ-GFCCVEGCSA-N 1 0 311.386 1.141 20 5 DDBDRO C[NH2+]C[C@@H]1CCN(CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1 ZINC000430966485 290700948 /nfs/dbraw/zinc/70/09/48/290700948.db2.gz NXZBTLJTFGVCJJ-LBPRGKRZSA-N 1 0 306.366 1.383 20 5 DDBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000418375459 529933569 /nfs/dbraw/zinc/93/35/69/529933569.db2.gz TZZWUQROFWJPKC-CYBMUJFWSA-N 1 0 306.366 1.531 20 5 DDBDRO CC(C)(O)C1C[NH+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000275606331 282323236 /nfs/dbraw/zinc/32/32/36/282323236.db2.gz JSMTXYNAUOOQHF-GFCCVEGCSA-N 1 0 310.350 1.037 20 5 DDBDRO C[NH2+]CCNC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000415353654 529975003 /nfs/dbraw/zinc/97/50/03/529975003.db2.gz ASTXDKMARIZKEB-UHFFFAOYSA-N 1 0 322.365 1.166 20 5 DDBDRO C[NH2+]CCNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000422791202 529975138 /nfs/dbraw/zinc/97/51/38/529975138.db2.gz YHPBHNKDYQYKJT-UHFFFAOYSA-N 1 0 303.771 1.676 20 5 DDBDRO C[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C[C@H]1CCC[C@@H]1O ZINC000305358542 529984585 /nfs/dbraw/zinc/98/45/85/529984585.db2.gz SOPUEKVHUQRGKX-OCCSQVGLSA-N 1 0 307.350 1.287 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1N1CC[N@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000286744961 219142438 /nfs/dbraw/zinc/14/24/38/219142438.db2.gz NYDGFYQURNWLKX-AWEZNQCLSA-N 1 0 315.377 1.691 20 5 DDBDRO COC(=O)CNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181820432 199357068 /nfs/dbraw/zinc/35/70/68/199357068.db2.gz OAROOISJPPVARA-GHMZBOCLSA-N 1 0 323.349 1.232 20 5 DDBDRO C[NH2+][C@@H]1CCN(S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])C1 ZINC000133072347 290816316 /nfs/dbraw/zinc/81/63/16/290816316.db2.gz HGLTYLGXBYBRLV-LLVKDONJSA-N 1 0 313.379 1.194 20 5 DDBDRO C[C@@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H]1[NH+](C)C ZINC000331409619 233356086 /nfs/dbraw/zinc/35/60/86/233356086.db2.gz CFIAKZBAMMFANJ-YGRLFVJLSA-N 1 0 303.366 1.853 20 5 DDBDRO CCc1n[nH]c(C(=O)NCCC[NH+]2CCCCCC2)c1[N+](=O)[O-] ZINC000171922638 198008848 /nfs/dbraw/zinc/00/88/48/198008848.db2.gz ASPCMSRGIUJHAX-UHFFFAOYSA-N 1 0 323.397 1.876 20 5 DDBDRO O=C(Cc1ccccc1[N+](=O)[O-])NC1CC[NH+](C2CC2)CC1 ZINC000029092112 352234923 /nfs/dbraw/zinc/23/49/23/352234923.db2.gz PEBODCYXZQJNJB-UHFFFAOYSA-N 1 0 303.362 1.880 20 5 DDBDRO C[NH+]1CCC(NC(=O)NCCNc2ccccc2[N+](=O)[O-])CC1 ZINC000043180619 352363139 /nfs/dbraw/zinc/36/31/39/352363139.db2.gz YGSBOWRTHDYTLL-UHFFFAOYSA-N 1 0 321.381 1.400 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000057554929 352820485 /nfs/dbraw/zinc/82/04/85/352820485.db2.gz SHQJJIGJHCWEKY-JTQLQIEISA-N 1 0 305.334 1.570 20 5 DDBDRO C[C@@H](CNC(=O)COc1cccc([N+](=O)[O-])c1)[N@H+](C)C1CC1 ZINC000057710410 352826320 /nfs/dbraw/zinc/82/63/20/352826320.db2.gz AVAGEZWSUPWORZ-NSHDSACASA-N 1 0 307.350 1.573 20 5 DDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H](C)C[NH+](C)C ZINC000344879100 282857779 /nfs/dbraw/zinc/85/77/79/282857779.db2.gz BTYNMPVXGIWMRL-SECBINFHSA-N 1 0 301.368 1.132 20 5 DDBDRO C[C@@H](CNC(=O)CCn1cc([N+](=O)[O-])cn1)[NH+]1CCC(C)CC1 ZINC000067269372 353040777 /nfs/dbraw/zinc/04/07/77/353040777.db2.gz VHCAVDGYGBKKMZ-ZDUSSCGKSA-N 1 0 323.397 1.418 20 5 DDBDRO COc1ccc(C(=O)N2CCC[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000068342227 353105498 /nfs/dbraw/zinc/10/54/98/353105498.db2.gz OOMRBIZTDRQLEB-GFCCVEGCSA-N 1 0 307.350 1.770 20 5 DDBDRO [NH3+]CCc1nc(C(=O)NCCc2ccc([N+](=O)[O-])cc2)cs1 ZINC000173674434 198238867 /nfs/dbraw/zinc/23/88/67/198238867.db2.gz RTLTYJQNQKFJEU-UHFFFAOYSA-N 1 0 320.374 1.525 20 5 DDBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@@H]2CN2CCOCC2)c1 ZINC000174018224 198281698 /nfs/dbraw/zinc/28/16/98/198281698.db2.gz IVTKVJXYKVOFNZ-MRXNPFEDSA-N 1 0 305.378 1.891 20 5 DDBDRO CC(C)C[NH+]1CCN(C(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000072657375 353207206 /nfs/dbraw/zinc/20/72/06/353207206.db2.gz DHWXFAFXIWDSOH-UHFFFAOYSA-N 1 0 321.377 1.774 20 5 DDBDRO C[C@H](c1ccco1)[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000086233759 353739644 /nfs/dbraw/zinc/73/96/44/353739644.db2.gz SLEXFAUXMWGPQQ-BXUZGUMPSA-N 1 0 320.349 1.971 20 5 DDBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CCC([NH2+]CCO)CC1 ZINC000092689479 353867958 /nfs/dbraw/zinc/86/79/58/353867958.db2.gz NZXDUGFHCSQDOG-UHFFFAOYSA-N 1 0 300.746 1.194 20 5 DDBDRO O=C1CCC(=O)N1CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153246675 354197660 /nfs/dbraw/zinc/19/76/60/354197660.db2.gz GJXHCVVKMUPBRM-UHFFFAOYSA-N 1 0 317.345 1.708 20 5 DDBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1CCCN1C ZINC000154562217 354207800 /nfs/dbraw/zinc/20/78/00/354207800.db2.gz ZQUFNEUZKREUNJ-DOMZBBRYSA-N 1 0 320.393 1.996 20 5 DDBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+](CCO)C2CCOCC2)cc1 ZINC000275443196 354412414 /nfs/dbraw/zinc/41/24/14/354412414.db2.gz AJGGMKYLVIPAEY-UHFFFAOYSA-N 1 0 324.377 1.837 20 5 DDBDRO C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C[C@@H](C)C1 ZINC000346216127 283032841 /nfs/dbraw/zinc/03/28/41/283032841.db2.gz IAARIYJUMISKAV-COPLHBTASA-N 1 0 306.366 1.725 20 5 DDBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000407313190 354679550 /nfs/dbraw/zinc/67/95/50/354679550.db2.gz OKEBRJUTZMTFFW-GJZGRUSLSA-N 1 0 303.362 1.784 20 5 DDBDRO CC(C)[N@@H+]1CC[C@H](CNc2cc(N)c([N+](=O)[O-])c(CO)c2)C1 ZINC000587528829 354883179 /nfs/dbraw/zinc/88/31/79/354883179.db2.gz ZFSVRVLCWOZBNM-LLVKDONJSA-N 1 0 308.382 1.812 20 5 DDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CC[NH+](C(C)(C)CO)CC1 ZINC000588819084 354939461 /nfs/dbraw/zinc/93/94/61/354939461.db2.gz OLGFGJOUMOMRBF-UHFFFAOYSA-N 1 0 311.386 1.013 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@]3(CCOC3)C2)c1 ZINC000589503313 354997749 /nfs/dbraw/zinc/99/77/49/354997749.db2.gz RFSQEXSHCSMIDI-INIZCTEOSA-N 1 0 320.345 1.994 20 5 DDBDRO C[N@@H+]1C[C@H]2CCN(CCC(=O)Nc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000590011103 355040219 /nfs/dbraw/zinc/04/02/19/355040219.db2.gz HUKWCDIBACTPPT-IUODEOHRSA-N 1 0 318.377 1.559 20 5 DDBDRO C[N@@H+]1CCC[C@]2(CCN(c3cc(N)c([N+](=O)[O-])c(CO)c3)C2)C1 ZINC000590141907 355053136 /nfs/dbraw/zinc/05/31/36/355053136.db2.gz IKWCJWCYWIVQRG-INIZCTEOSA-N 1 0 320.393 1.591 20 5 DDBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000590566855 355115109 /nfs/dbraw/zinc/11/51/09/355115109.db2.gz QMQKTLJEKPQEHH-STQMWFEESA-N 1 0 320.393 1.582 20 5 DDBDRO COc1cc(C(=O)N2CC[C@@H]3C[N@H+](C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000590442693 355096559 /nfs/dbraw/zinc/09/65/59/355096559.db2.gz ACHHCXYGGZBWPW-DGCLKSJQSA-N 1 0 305.334 1.380 20 5 DDBDRO CNc1c(C(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)cccc1[N+](=O)[O-] ZINC000590443459 355097340 /nfs/dbraw/zinc/09/73/40/355097340.db2.gz KKVUJZJVTKDJAD-MFKMUULPSA-N 1 0 304.350 1.413 20 5 DDBDRO C[N@@H+]1C[C@H]2CCN(C(=O)c3cc4c(c([N+](=O)[O-])c3)OCO4)[C@@H]2C1 ZINC000590445616 355098483 /nfs/dbraw/zinc/09/84/83/355098483.db2.gz QZZRWDQHDMEHRP-BXKDBHETSA-N 1 0 319.317 1.100 20 5 DDBDRO Cc1cc(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])ncn1 ZINC000591757401 355378054 /nfs/dbraw/zinc/37/80/54/355378054.db2.gz YMWQWWXZQKDXSI-UHFFFAOYSA-N 1 0 315.333 1.812 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]Cc2cccc3cc[nH]c32)c1 ZINC000591762962 355379496 /nfs/dbraw/zinc/37/94/96/355379496.db2.gz OKTXCZSZVZBIAC-CQSZACIVSA-N 1 0 315.333 1.423 20 5 DDBDRO C[C@H]1C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC2(CCCC2)O1 ZINC000592196857 355532602 /nfs/dbraw/zinc/53/26/02/355532602.db2.gz ZBTSKBUMEQDYDC-JSGCOSHPSA-N 1 0 324.381 1.186 20 5 DDBDRO CN(CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)[C@H]1CC[NH2+]C1 ZINC000592472626 355592591 /nfs/dbraw/zinc/59/25/91/355592591.db2.gz NNCWGZRFJQJOER-LBPRGKRZSA-N 1 0 320.349 1.187 20 5 DDBDRO CC[C@H]1CN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC[C@H]1[NH3+] ZINC000592489395 355597851 /nfs/dbraw/zinc/59/78/51/355597851.db2.gz UEGFPVNQWWCYLF-SWLSCSKDSA-N 1 0 320.393 1.617 20 5 DDBDRO CC[C@@H]1CN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC[C@@H]1[NH3+] ZINC000592427702 355580003 /nfs/dbraw/zinc/58/00/03/355580003.db2.gz QPTDJXKCBYRWML-YPMHNXCESA-N 1 0 321.377 1.925 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@H]2CC[C@@H](CO)CC2)c1 ZINC000592430915 355581001 /nfs/dbraw/zinc/58/10/01/355581001.db2.gz QVPLZAYQNOOUTO-GUTXKFCHSA-N 1 0 324.377 1.475 20 5 DDBDRO O=C(NCCNc1ccccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]CC1 ZINC000593902436 356048919 /nfs/dbraw/zinc/04/89/19/356048919.db2.gz TUFJVWGNCFMBJB-GFCCVEGCSA-N 1 0 306.366 1.513 20 5 DDBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H](N)CC[NH+](C)C ZINC000593903791 356050805 /nfs/dbraw/zinc/05/08/05/356050805.db2.gz NYDIHOMRPJPNSJ-HNNXBMFYSA-N 1 0 322.409 1.611 20 5 DDBDRO CC(C)(C(=O)N[C@H](C[NH3+])C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000594450577 356220854 /nfs/dbraw/zinc/22/08/54/356220854.db2.gz FWAOYRQFHYNDGD-SNVBAGLBSA-N 1 0 319.283 1.878 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594417356 356202996 /nfs/dbraw/zinc/20/29/96/356202996.db2.gz BZDBOQOBFZCBPD-GHMZBOCLSA-N 1 0 307.354 1.075 20 5 DDBDRO O=[N+]([O-])c1cnccc1N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000594599694 356261129 /nfs/dbraw/zinc/26/11/29/356261129.db2.gz NJOZULVXBCAIIC-ZDUSSCGKSA-N 1 0 306.366 1.681 20 5 DDBDRO CO[C@@](C)(CO)C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000594514374 356241705 /nfs/dbraw/zinc/24/17/05/356241705.db2.gz VXAMOHBQAUQGKS-GOEBONIOSA-N 1 0 308.378 1.903 20 5 DDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC[C@H](C)[NH+](C)C ZINC000594817255 356326475 /nfs/dbraw/zinc/32/64/75/356326475.db2.gz PRSHLFKWBYYIMG-JTQLQIEISA-N 1 0 315.395 1.522 20 5 DDBDRO COCCC1C[NH+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000594718547 356295286 /nfs/dbraw/zinc/29/52/86/356295286.db2.gz SIJPLUPYWOSWEE-CYBMUJFWSA-N 1 0 310.350 1.303 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H]1CCCNC1=O ZINC000595050769 356376605 /nfs/dbraw/zinc/37/66/05/356376605.db2.gz KKZPUNSTTWVBOV-GHMZBOCLSA-N 1 0 307.350 1.780 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(C)CC(C)(C)[NH3+])c1C ZINC000595115156 356383859 /nfs/dbraw/zinc/38/38/59/356383859.db2.gz AYNOGTRSIRIYLR-UHFFFAOYSA-N 1 0 315.395 1.569 20 5 DDBDRO Cn1cc([N+](=O)[O-])c(C(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)n1 ZINC000595225799 356411251 /nfs/dbraw/zinc/41/12/51/356411251.db2.gz OQVZNPZBNYCNRW-NWDGAFQWSA-N 1 0 321.381 1.323 20 5 DDBDRO COc1cc(C(=O)N2CC[C@@H](C)[C@@H]([NH3+])C2)cc([N+](=O)[O-])c1C ZINC000595228843 356412256 /nfs/dbraw/zinc/41/22/56/356412256.db2.gz ORUFSAXNRYCDJA-SKDRFNHKSA-N 1 0 307.350 1.721 20 5 DDBDRO [NH3+][C@@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC[C@H]1F ZINC000595260587 356424003 /nfs/dbraw/zinc/42/40/03/356424003.db2.gz DXXDSWOVLZBVDP-GHMZBOCLSA-N 1 0 301.705 1.760 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N(C)CC1C[NH+](C)C1 ZINC000595472682 356507053 /nfs/dbraw/zinc/50/70/53/356507053.db2.gz RICDNBOBKYCQAL-UHFFFAOYSA-N 1 0 322.365 1.306 20 5 DDBDRO CCCN(C(=O)c1cc([N+](=O)[O-])cnc1C)C1CC[NH2+]CC1 ZINC000236835534 202031309 /nfs/dbraw/zinc/03/13/09/202031309.db2.gz SQSPRDQETLIQCG-UHFFFAOYSA-N 1 0 306.366 1.902 20 5 DDBDRO CCOc1ccc(C(=O)N[C@](C)(C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000236912175 202067241 /nfs/dbraw/zinc/06/72/41/202067241.db2.gz XAOPQIWZLSWXSB-OAHLLOKOSA-N 1 0 307.350 1.851 20 5 DDBDRO CCOc1cc(C[N@@H+]2CCC[C@](CO)(OC)C2)ccc1[N+](=O)[O-] ZINC000595657640 356594885 /nfs/dbraw/zinc/59/48/85/356594885.db2.gz DUZNYHINDLTRNK-INIZCTEOSA-N 1 0 324.377 1.967 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H]1C[C@@H](O)C12CCC2 ZINC000595781111 356649612 /nfs/dbraw/zinc/64/96/12/356649612.db2.gz KDFDQMQMNQEODE-UONOGXRCSA-N 1 0 319.361 1.735 20 5 DDBDRO C[N@@H+]1CCCC[C@@H]1C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000618265118 363551288 /nfs/dbraw/zinc/55/12/88/363551288.db2.gz UWIUCVGCOZZTKY-CYBMUJFWSA-N 1 0 317.349 1.572 20 5 DDBDRO C[NH2+]CC1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000237074089 202144719 /nfs/dbraw/zinc/14/47/19/202144719.db2.gz LGKWQCIVOABWDV-UHFFFAOYSA-N 1 0 317.349 1.543 20 5 DDBDRO C[C@]1(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC[NH2+]C1 ZINC000595992798 356739205 /nfs/dbraw/zinc/73/92/05/356739205.db2.gz SNUXJJLRIZVEEL-HNNXBMFYSA-N 1 0 304.350 1.651 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC[NH2+]CC2)c(F)c1N1CCOCC1 ZINC000596015959 356747247 /nfs/dbraw/zinc/74/72/47/356747247.db2.gz KYCYQMRQHNYUQI-UHFFFAOYSA-N 1 0 324.356 1.370 20 5 DDBDRO NC(=O)c1cc(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000596081871 356765998 /nfs/dbraw/zinc/76/59/98/356765998.db2.gz AXYKFFQPWVOZEN-RYUDHWBXSA-N 1 0 304.350 1.732 20 5 DDBDRO O=[N+]([O-])c1ccsc1N1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000596266059 356838016 /nfs/dbraw/zinc/83/80/16/356838016.db2.gz RIJBEPCDBVDAHB-UHFFFAOYSA-N 1 0 311.407 1.987 20 5 DDBDRO C[NH2+]C[C@H](C)N[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000596655015 356943382 /nfs/dbraw/zinc/94/33/82/356943382.db2.gz PKKJDMVYRKUIEP-FZMZJTMJSA-N 1 0 303.366 1.615 20 5 DDBDRO COc1cc(C(=O)NCC[C@@H]2CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000237255737 202206651 /nfs/dbraw/zinc/20/66/51/202206651.db2.gz LPVONMSTVCYPFB-NSHDSACASA-N 1 0 307.350 1.723 20 5 DDBDRO Cc1cc(OCC(=O)N2CC[C@@H]([NH+](C)C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000597700155 357291046 /nfs/dbraw/zinc/29/10/46/357291046.db2.gz MCMCKFJEAMLUQR-SWLSCSKDSA-N 1 0 321.377 1.833 20 5 DDBDRO COC(=O)c1cc(C(=O)N2CC(C[NH+](C)C)C2)cc([N+](=O)[O-])c1 ZINC000597707233 357294718 /nfs/dbraw/zinc/29/47/18/357294718.db2.gz ALOGPJZKFSFJIY-UHFFFAOYSA-N 1 0 321.333 1.015 20 5 DDBDRO CCN(C(=O)c1nn(CC)cc1[N+](=O)[O-])[C@H]1CC[N@H+](CC)C1 ZINC000598041418 357439726 /nfs/dbraw/zinc/43/97/26/357439726.db2.gz UIMPTOBMYCURHW-NSHDSACASA-N 1 0 309.370 1.368 20 5 DDBDRO CCc1n[nH]c(C(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000598261093 357511865 /nfs/dbraw/zinc/51/18/65/357511865.db2.gz DTTFQHYPAFHGBW-NSHDSACASA-N 1 0 323.397 1.731 20 5 DDBDRO CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000598341800 357543869 /nfs/dbraw/zinc/54/38/69/357543869.db2.gz GJZBTRQTHPUKIN-GFCCVEGCSA-N 1 0 307.350 1.818 20 5 DDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NCC[C@@H](C)[NH3+])cc1OC ZINC000178637635 198901219 /nfs/dbraw/zinc/90/12/19/198901219.db2.gz LSYOVKUOWZIHGC-SECBINFHSA-N 1 0 311.338 1.469 20 5 DDBDRO Cc1ccc(S(=O)(=O)NCC[NH+](C)C)c(C)c1[N+](=O)[O-] ZINC000598598029 357647440 /nfs/dbraw/zinc/64/74/40/357647440.db2.gz MKSGKTDDMITMQJ-UHFFFAOYSA-N 1 0 301.368 1.052 20 5 DDBDRO Nc1c(C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)cc(F)cc1[N+](=O)[O-] ZINC000598668056 357678182 /nfs/dbraw/zinc/67/81/82/357678182.db2.gz OOYCRTMGTOPSOU-CLAHSXSESA-N 1 0 308.313 1.270 20 5 DDBDRO [NH3+][C@@]12CCC[C@H]1CN(C(=O)CCOc1ccccc1[N+](=O)[O-])C2 ZINC000598669363 357678477 /nfs/dbraw/zinc/67/84/77/357678477.db2.gz IMOSMSFYSUGIOJ-BLLLJJGKSA-N 1 0 319.361 1.704 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000598671104 357679805 /nfs/dbraw/zinc/67/98/05/357679805.db2.gz ZFRZQMXCIOZVEQ-MEDUHNTESA-N 1 0 319.361 1.947 20 5 DDBDRO C[NH+](C)C[C@](C)(O)CNc1ccc2cnccc2c1[N+](=O)[O-] ZINC000599059128 357805058 /nfs/dbraw/zinc/80/50/58/357805058.db2.gz MYDXRTOSSWBRJW-OAHLLOKOSA-N 1 0 304.350 1.868 20 5 DDBDRO COC(=O)c1cc(C)nc(N2C[C@@H](C)[NH2+][C@@H](C)C2)c1[N+](=O)[O-] ZINC000599110681 357818488 /nfs/dbraw/zinc/81/84/88/357818488.db2.gz ZAVCPNFQOSLDHT-AOOOYVTPSA-N 1 0 308.338 1.271 20 5 DDBDRO NC(=O)c1cc([N+](=O)[O-])cnc1NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000599164769 357835433 /nfs/dbraw/zinc/83/54/33/357835433.db2.gz MBKZHRHWEZVVSU-NSHDSACASA-N 1 0 319.365 1.518 20 5 DDBDRO CCOC(=O)c1cc(NCC[N@@H+]2CC[C@H](O)C2)ccc1[N+](=O)[O-] ZINC000599199266 357847864 /nfs/dbraw/zinc/84/78/64/357847864.db2.gz INSCOMUYUHALKK-LBPRGKRZSA-N 1 0 323.349 1.250 20 5 DDBDRO CN(C(=O)CNc1ccccc1[N+](=O)[O-])[C@@H]1C[NH+]2CCC1CC2 ZINC000347915178 283299826 /nfs/dbraw/zinc/29/98/26/283299826.db2.gz ILSZFEUHYWMQBZ-OAHLLOKOSA-N 1 0 318.377 1.559 20 5 DDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCCOCC[NH2+]C ZINC000599606138 357990578 /nfs/dbraw/zinc/99/05/78/357990578.db2.gz SXTRQZWBIVBWCQ-UHFFFAOYSA-N 1 0 310.354 1.515 20 5 DDBDRO Nc1c(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc(F)cc1[N+](=O)[O-] ZINC000185148703 199815922 /nfs/dbraw/zinc/81/59/22/199815922.db2.gz LZJPOPJNFNXNNE-WHGOUJPWSA-N 1 0 308.313 1.125 20 5 DDBDRO C[N@@H+]1CCCC[C@H](CNC(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000600309516 358192397 /nfs/dbraw/zinc/19/23/97/358192397.db2.gz BBRQOJKGANVUFQ-CYBMUJFWSA-N 1 0 305.378 1.985 20 5 DDBDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000180553005 199174911 /nfs/dbraw/zinc/17/49/11/199174911.db2.gz SJGVEADVJFORGG-NSHDSACASA-N 1 0 321.381 1.422 20 5 DDBDRO CCN(CC[NH3+])[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000600718361 358294100 /nfs/dbraw/zinc/29/41/00/358294100.db2.gz WWNRNFHGTSVYDW-SNVBAGLBSA-N 1 0 310.354 1.211 20 5 DDBDRO O=c1[nH]cccc1C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000600755439 358308766 /nfs/dbraw/zinc/30/87/66/358308766.db2.gz CWDPOENTTIYUOB-CYBMUJFWSA-N 1 0 319.317 1.225 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000600759495 358309646 /nfs/dbraw/zinc/30/96/46/358309646.db2.gz ZNVKKOGIDTZNNF-WOSRLPQWSA-N 1 0 322.361 1.492 20 5 DDBDRO C[NH2+]C1(CNC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])CCC1 ZINC000600823467 358326023 /nfs/dbraw/zinc/32/60/23/358326023.db2.gz FLAXQWJGJVUNOK-UHFFFAOYSA-N 1 0 323.349 1.484 20 5 DDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000180950418 199232956 /nfs/dbraw/zinc/23/29/56/199232956.db2.gz VEBVLRROAXIGHM-UHFFFAOYSA-N 1 0 318.377 1.781 20 5 DDBDRO C[C@H]1[C@H]([NH+](C)C)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000601422098 358545065 /nfs/dbraw/zinc/54/50/65/358545065.db2.gz PJAIUCMEJCSJTK-DTWKUNHWSA-N 1 0 319.408 1.369 20 5 DDBDRO COc1cccc(C(=O)N2CCC[C@H]3C[NH2+]CC[C@@H]32)c1[N+](=O)[O-] ZINC000601553580 358598647 /nfs/dbraw/zinc/59/86/47/358598647.db2.gz OSYPCVIVWNYGKE-AAEUAGOBSA-N 1 0 319.361 1.818 20 5 DDBDRO C[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CCCOC1 ZINC000348146059 283389572 /nfs/dbraw/zinc/38/95/72/283389572.db2.gz MOKYICQIHYKUCF-GZBFAFLISA-N 1 0 324.377 1.739 20 5 DDBDRO COc1cc(C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)cc([N+](=O)[O-])c1OC ZINC000565596575 304078848 /nfs/dbraw/zinc/07/88/48/304078848.db2.gz ITCJXDKNSSUFJE-PSASIEDQSA-N 1 0 309.322 1.031 20 5 DDBDRO O=C(NCC[NH2+]C1CC1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000602428642 358969266 /nfs/dbraw/zinc/96/92/66/358969266.db2.gz QKNONZFDUFFNPU-UHFFFAOYSA-N 1 0 303.362 1.885 20 5 DDBDRO CC(=O)N1CCC(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000602536660 359033622 /nfs/dbraw/zinc/03/36/22/359033622.db2.gz ITFAUUSFOWKENH-UHFFFAOYSA-N 1 0 305.378 1.985 20 5 DDBDRO C[C@@H](CO)[C@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602561264 359046033 /nfs/dbraw/zinc/04/60/33/359046033.db2.gz XKMFLYUTJKKVSN-RYUDHWBXSA-N 1 0 308.382 1.565 20 5 DDBDRO CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCc2cccc([N+](=O)[O-])c2C)C1 ZINC000602499640 359015405 /nfs/dbraw/zinc/01/54/05/359015405.db2.gz RMDSHQKKRRENMY-SWLSCSKDSA-N 1 0 307.350 1.286 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CCN(C)C1CC[NH+](C(C)C)CC1 ZINC000602772617 359179238 /nfs/dbraw/zinc/17/92/38/359179238.db2.gz VLZBYPMXAKWJIK-UHFFFAOYSA-N 1 0 309.414 1.904 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@H](c2ccncc2)C1 ZINC000602834590 359226683 /nfs/dbraw/zinc/22/66/83/359226683.db2.gz ULJGAACBBUHLQY-AWEZNQCLSA-N 1 0 301.350 1.984 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@@H](n3ccnn3)CC2)c1 ZINC000602888608 359272346 /nfs/dbraw/zinc/27/23/46/359272346.db2.gz OVNARVNHWWNYAF-GFCCVEGCSA-N 1 0 305.342 1.110 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000602902122 359283065 /nfs/dbraw/zinc/28/30/65/359283065.db2.gz GRYNOYYBGZUAHD-UHFFFAOYSA-N 1 0 320.393 1.991 20 5 DDBDRO Cc1cnn(CC[NH2+][C@](C)(CO)c2cccc([N+](=O)[O-])c2)c1 ZINC000602962909 359326629 /nfs/dbraw/zinc/32/66/29/359326629.db2.gz QHVLPOUTWRGDME-OAHLLOKOSA-N 1 0 304.350 1.597 20 5 DDBDRO C[C@@](CO)([NH2+]CCCN1CCCC1=O)c1cccc([N+](=O)[O-])c1 ZINC000602965582 359328887 /nfs/dbraw/zinc/32/88/87/359328887.db2.gz IZJNYXFBFATKRW-INIZCTEOSA-N 1 0 321.377 1.404 20 5 DDBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000187918060 200176954 /nfs/dbraw/zinc/17/69/54/200176954.db2.gz LZGZOTFQSXOAEW-GFCCVEGCSA-N 1 0 320.393 1.981 20 5 DDBDRO C[N@@H+]1CCC[C@H](NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000604197986 359725750 /nfs/dbraw/zinc/72/57/50/359725750.db2.gz CSELTQMFXFPEJI-VIFPVBQESA-N 1 0 303.322 1.295 20 5 DDBDRO Cc1c(NC(=O)C(=O)N[C@H]2CCC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC000604227533 359728675 /nfs/dbraw/zinc/72/86/75/359728675.db2.gz NSABEUPHBJDGNU-NSHDSACASA-N 1 0 320.349 1.052 20 5 DDBDRO Cc1ccc(C(=O)N2CCC(OCCC[NH3+])CC2)cc1[N+](=O)[O-] ZINC000237846675 202369730 /nfs/dbraw/zinc/36/97/30/202369730.db2.gz KHOIHCYIBXMGHH-UHFFFAOYSA-N 1 0 321.377 1.873 20 5 DDBDRO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCC[NH2+]CC1 ZINC000237873521 202375759 /nfs/dbraw/zinc/37/57/59/202375759.db2.gz LRUZUFSTEFMIIO-UHFFFAOYSA-N 1 0 304.350 1.605 20 5 DDBDRO COc1cc(C(=O)N[C@@H]2CCC[NH2+][C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000189312547 200380244 /nfs/dbraw/zinc/38/02/44/200380244.db2.gz ZEXVSURBIVQQFU-MWLCHTKSSA-N 1 0 323.349 1.482 20 5 DDBDRO CO[C@H]1C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC[C@H]1C ZINC000189326623 200382114 /nfs/dbraw/zinc/38/21/14/200382114.db2.gz HTRFWMIFWMOBLC-WWGRRREGSA-N 1 0 324.377 1.691 20 5 DDBDRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000359018710 299307781 /nfs/dbraw/zinc/30/77/81/299307781.db2.gz MVIHXQXZNOQYSK-RYUDHWBXSA-N 1 0 321.381 1.796 20 5 DDBDRO O=[N+]([O-])c1cc(C[NH2+]CCCN2CCCS2(=O)=O)cs1 ZINC000609223632 360274773 /nfs/dbraw/zinc/27/47/73/360274773.db2.gz UEJCYLYFCPFHDY-UHFFFAOYSA-N 1 0 319.408 1.172 20 5 DDBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000609833271 360354074 /nfs/dbraw/zinc/35/40/74/360354074.db2.gz FVHUSXLVXQMZAU-CYBMUJFWSA-N 1 0 321.377 1.964 20 5 DDBDRO C[N@@H+]1CCCC[C@@H]1C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000609491318 360314609 /nfs/dbraw/zinc/31/46/09/360314609.db2.gz FXGUFTSJWSTJGA-CQSZACIVSA-N 1 0 306.366 1.607 20 5 DDBDRO O=C1[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCN1C1CCOCC1 ZINC000610479551 360445702 /nfs/dbraw/zinc/44/57/02/360445702.db2.gz AVGORHWDTHSQIF-OAHLLOKOSA-N 1 0 319.361 1.464 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC[N@H+](C[C@H]3CCCO3)CC2)nc1 ZINC000610489101 360449854 /nfs/dbraw/zinc/44/98/54/360449854.db2.gz AYZDOHUFMDZDOW-CQSZACIVSA-N 1 0 306.366 1.681 20 5 DDBDRO COC[C@@H]1CCC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000610605355 360480941 /nfs/dbraw/zinc/48/09/41/360480941.db2.gz ZMHUPJLJGJBCGV-UONOGXRCSA-N 1 0 310.350 1.445 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CC[C@@H](C(F)F)C2)c1 ZINC000611180229 360651700 /nfs/dbraw/zinc/65/17/00/360651700.db2.gz VGILWVDWTVSJCA-PWSUYJOCSA-N 1 0 316.304 1.922 20 5 DDBDRO CCC[C@H]1C[NH2+]CCN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000359041488 299314860 /nfs/dbraw/zinc/31/48/60/299314860.db2.gz JHRAPRAJWOAQRH-LBPRGKRZSA-N 1 0 306.366 1.607 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+](CCCO)C1CC1 ZINC000612077640 360912231 /nfs/dbraw/zinc/91/22/31/360912231.db2.gz FYNUEMOPHGSLKS-CYBMUJFWSA-N 1 0 310.350 1.181 20 5 DDBDRO C[NH+](C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)Cc1ccccc1 ZINC000348629744 283597794 /nfs/dbraw/zinc/59/77/94/283597794.db2.gz HYRVXZDCVBVMQU-GFCCVEGCSA-N 1 0 317.349 1.221 20 5 DDBDRO CC[C@H]1C[N@H+](C)CCCN1C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000619567163 364063640 /nfs/dbraw/zinc/06/36/40/364063640.db2.gz XVGGKCDPTSOELF-LBPRGKRZSA-N 1 0 309.370 1.124 20 5 DDBDRO O=[N+]([O-])c1ccc(NCC[N@@H+]2CCCOCC2)c2nonc21 ZINC000275524609 212392474 /nfs/dbraw/zinc/39/24/74/212392474.db2.gz XCGIHCYGQCDJNM-UHFFFAOYSA-N 1 0 307.310 1.265 20 5 DDBDRO CN(CCC[NH+]1CCCC1)C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000281855682 216592087 /nfs/dbraw/zinc/59/20/87/216592087.db2.gz YMCCEEHXLBCNTN-UHFFFAOYSA-N 1 0 306.366 1.735 20 5 DDBDRO Cc1ccc([C@@H](C)NC(=O)[C@@H]2CC[C@H](C[NH3+])O2)cc1[N+](=O)[O-] ZINC000261621608 203081298 /nfs/dbraw/zinc/08/12/98/203081298.db2.gz CGTSKYCXLKXJRK-QKCSRTOESA-N 1 0 307.350 1.587 20 5 DDBDRO Cc1ccc([C@H](C)NC(=O)[C@@H]2CC[C@H](C[NH3+])O2)cc1[N+](=O)[O-] ZINC000261621609 203082201 /nfs/dbraw/zinc/08/22/01/203082201.db2.gz CGTSKYCXLKXJRK-SUHUHFCYSA-N 1 0 307.350 1.587 20 5 DDBDRO Cc1ccc([C@H](C)NC(=O)[C@H]([NH3+])C2CCOCC2)cc1[N+](=O)[O-] ZINC000261884882 203144650 /nfs/dbraw/zinc/14/46/50/203144650.db2.gz UZGSTQGRRLGZJX-XHDPSFHLSA-N 1 0 321.377 1.834 20 5 DDBDRO COc1cc(C(=O)N2CCC3(CC[NH2+]C3)CC2)ccc1[N+](=O)[O-] ZINC000261852677 203135035 /nfs/dbraw/zinc/13/50/35/203135035.db2.gz QOEOFFVZXROFSR-UHFFFAOYSA-N 1 0 319.361 1.819 20 5 DDBDRO O=C(COc1cccc([N+](=O)[O-])c1)N1CCC2(CC[NH2+]C2)CC1 ZINC000261863396 203138178 /nfs/dbraw/zinc/13/81/78/203138178.db2.gz RNLISTIGZMQZQV-UHFFFAOYSA-N 1 0 319.361 1.576 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000261876709 203141655 /nfs/dbraw/zinc/14/16/55/203141655.db2.gz LZONNFAPFKWIDJ-AWEZNQCLSA-N 1 0 318.377 1.023 20 5 DDBDRO C[NH2+]CCC1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000262329947 203263825 /nfs/dbraw/zinc/26/38/25/203263825.db2.gz SJRDJFREMUNNLN-UHFFFAOYSA-N 1 0 305.378 1.985 20 5 DDBDRO Cc1cc(C(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)c(N)c([N+](=O)[O-])c1 ZINC000262587628 203341532 /nfs/dbraw/zinc/34/15/32/203341532.db2.gz PLEQMHYQXILQQM-GHMZBOCLSA-N 1 0 306.366 1.685 20 5 DDBDRO CCc1n[nH]c(C(=O)NCC2([NH+](C)C)CCCCC2)c1[N+](=O)[O-] ZINC000264594129 204016334 /nfs/dbraw/zinc/01/63/34/204016334.db2.gz RNDPTMKQDSVHQK-UHFFFAOYSA-N 1 0 323.397 1.875 20 5 DDBDRO C[C@H](Cn1cccn1)[NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000264887420 204240156 /nfs/dbraw/zinc/24/01/56/204240156.db2.gz SKAVQUWZVZPWHH-NEPJUHHUSA-N 1 0 317.349 1.797 20 5 DDBDRO CC[N@H+](C)CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000264908637 204259239 /nfs/dbraw/zinc/25/92/39/204259239.db2.gz MWSPKOAWCKMYJX-UHFFFAOYSA-N 1 0 309.322 1.048 20 5 DDBDRO CCC[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CC(=O)NC ZINC000282624195 217133141 /nfs/dbraw/zinc/13/31/41/217133141.db2.gz JEZCLMDANWSCFO-UHFFFAOYSA-N 1 0 322.365 1.381 20 5 DDBDRO CC[N@H+](C)C[C@H]1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269629455 284353171 /nfs/dbraw/zinc/35/31/71/284353171.db2.gz FAGUJVBMSMTZCX-CJNGLKHVSA-N 1 0 307.394 1.902 20 5 DDBDRO C[C@H](CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)C[NH+](C)C ZINC000293966121 223792687 /nfs/dbraw/zinc/79/26/87/223792687.db2.gz WNPMJJWKGMJBGV-SECBINFHSA-N 1 0 305.338 1.399 20 5 DDBDRO Cc1nn(CCC(=O)N2CCC[C@H]2C[NH+](C)C)c(C)c1[N+](=O)[O-] ZINC000267526718 206125287 /nfs/dbraw/zinc/12/52/87/206125287.db2.gz OJWZHZZQGAQEKC-ZDUSSCGKSA-N 1 0 323.397 1.351 20 5 DDBDRO Cc1cc(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])n(C)n1 ZINC000566969828 304190525 /nfs/dbraw/zinc/19/05/25/304190525.db2.gz OXLAQKGNNJTAAG-UHFFFAOYSA-N 1 0 317.349 1.755 20 5 DDBDRO CCOc1ccc(C(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000351831228 284566320 /nfs/dbraw/zinc/56/63/20/284566320.db2.gz VXYTUTSDYNIOPR-ZYHUDNBSSA-N 1 0 307.350 1.803 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CN1CCC(OCCC[NH3+])CC1 ZINC000336864785 249273049 /nfs/dbraw/zinc/27/30/49/249273049.db2.gz ARMYIPGXDLRVGJ-UHFFFAOYSA-N 1 0 323.393 1.933 20 5 DDBDRO O=C1NC(=O)C2(CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)N1 ZINC000041599283 183207968 /nfs/dbraw/zinc/20/79/68/183207968.db2.gz MUBMIMMWAPJYOX-UHFFFAOYSA-N 1 0 304.306 1.609 20 5 DDBDRO Cc1c(C[N@H+]2CC[C@@H]3OCCN(C)[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000284699800 218139461 /nfs/dbraw/zinc/13/94/61/218139461.db2.gz IJXQQJVAFCZVEJ-CVEARBPZSA-N 1 0 305.378 1.808 20 5 DDBDRO C[N@@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000110653647 194347559 /nfs/dbraw/zinc/34/75/59/194347559.db2.gz JZKZGFSZUZCGSZ-SECBINFHSA-N 1 0 308.294 1.185 20 5 DDBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000110995340 194378510 /nfs/dbraw/zinc/37/85/10/194378510.db2.gz FHJWWIJKSJLKNI-NSHDSACASA-N 1 0 324.356 1.920 20 5 DDBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)NCC[NH+]1CCCCC1 ZINC000054646321 183947141 /nfs/dbraw/zinc/94/71/41/183947141.db2.gz WXCRZOSNXUQKEQ-UHFFFAOYSA-N 1 0 320.393 1.922 20 5 DDBDRO C[NH2+]CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000269141656 207271398 /nfs/dbraw/zinc/27/13/98/207271398.db2.gz AMXQSDXDPZQRFQ-UHFFFAOYSA-N 1 0 320.118 1.446 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H]1CN2CCC1CC2 ZINC001120480803 781974058 /nfs/dbraw/zinc/97/40/58/781974058.db2.gz DTEJDTVXYSJXLR-KGLIPLIRSA-N 1 0 321.377 1.018 20 5 DDBDRO C[C@H](CNC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)[NH+](C)C ZINC000294552063 224084399 /nfs/dbraw/zinc/08/43/99/224084399.db2.gz YMCXLWWXOOHVJV-SNVBAGLBSA-N 1 0 317.349 1.665 20 5 DDBDRO COc1cc(CN(C)C2CC[NH+](CCO)CC2)ccc1[N+](=O)[O-] ZINC000352425657 285041573 /nfs/dbraw/zinc/04/15/73/285041573.db2.gz MLDOUFHIQNQLTO-UHFFFAOYSA-N 1 0 323.393 1.492 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@]2(C)CCC[NH2+]C2)c1 ZINC000272969045 210352791 /nfs/dbraw/zinc/35/27/91/210352791.db2.gz GYTIRCDXQYRMOK-HNNXBMFYSA-N 1 0 307.350 1.723 20 5 DDBDRO C[C@]1(CNC(=O)CCOc2ccccc2[N+](=O)[O-])CCC[NH2+]C1 ZINC000272940136 210326772 /nfs/dbraw/zinc/32/67/72/210326772.db2.gz BVYPCCGIAQCTTE-INIZCTEOSA-N 1 0 321.377 1.870 20 5 DDBDRO COCC1(C)C[NH+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000432733350 533128837 /nfs/dbraw/zinc/12/88/37/533128837.db2.gz CWGWVHDEQNYDHT-ZDUSSCGKSA-N 1 0 310.350 1.303 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC000424025032 533212695 /nfs/dbraw/zinc/21/26/95/533212695.db2.gz WIWZLMAGTQSXRU-MNOVXSKESA-N 1 0 307.350 1.660 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000289655725 221133000 /nfs/dbraw/zinc/13/30/00/221133000.db2.gz IKDURNUBGOSGNC-MNOVXSKESA-N 1 0 305.334 1.285 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3F)[C@@H]2C1 ZINC000352802445 285311497 /nfs/dbraw/zinc/31/14/97/285311497.db2.gz DVDCZMFZFCWYNN-IAQYHMDHSA-N 1 0 321.352 1.829 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(C[NH3+])CC1 ZINC000414659790 533226403 /nfs/dbraw/zinc/22/64/03/533226403.db2.gz TYTDKEXDQWYYDI-UHFFFAOYSA-N 1 0 308.338 1.806 20 5 DDBDRO CC(C)[C@@](C)(CO)[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000352891307 285366002 /nfs/dbraw/zinc/36/60/02/285366002.db2.gz GPUDNHPTARDOOL-OAHLLOKOSA-N 1 0 309.366 1.554 20 5 DDBDRO CO[C@]1(C)C[C@H]([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)C1(C)C ZINC000451485163 533380837 /nfs/dbraw/zinc/38/08/37/533380837.db2.gz IDTKWUHGDIQRKX-SWLSCSKDSA-N 1 0 309.366 1.550 20 5 DDBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1c([N+](=O)[O-])cnn1C ZINC000330757550 533592569 /nfs/dbraw/zinc/59/25/69/533592569.db2.gz ZQHIFQZTFIZDQO-SNVBAGLBSA-N 1 0 309.370 1.131 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H]1C[C@H](O)C1(C)C ZINC000568897699 304320805 /nfs/dbraw/zinc/32/08/05/304320805.db2.gz CSIDEBVWGQYKGG-OLZOCXBDSA-N 1 0 307.350 1.591 20 5 DDBDRO Cc1ccc(C)c(S(=O)(=O)NCC2([NH3+])CCC2)c1[N+](=O)[O-] ZINC000440745617 292087373 /nfs/dbraw/zinc/08/73/73/292087373.db2.gz INHQYYGDGGJMQO-UHFFFAOYSA-N 1 0 313.379 1.371 20 5 DDBDRO Cn1cc(CC[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cn1 ZINC000353593257 285819301 /nfs/dbraw/zinc/81/93/01/285819301.db2.gz CNYBAKPIZZQJBC-KGLIPLIRSA-N 1 0 318.381 1.841 20 5 DDBDRO C[NH+](C)C[C@H]1CCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C1 ZINC000569508996 304359585 /nfs/dbraw/zinc/35/95/85/304359585.db2.gz SYNKZVQZWRTKBH-SNVBAGLBSA-N 1 0 317.349 1.632 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000187681817 292295451 /nfs/dbraw/zinc/29/54/51/292295451.db2.gz GAVVBQOOGJOHDK-ZIAGYGMSSA-N 1 0 307.394 1.963 20 5 DDBDRO CNC(=O)CCC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000570156133 304398949 /nfs/dbraw/zinc/39/89/49/304398949.db2.gz YJJTUPOTRBNVTE-UHFFFAOYSA-N 1 0 308.338 1.039 20 5 DDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@@H](OCC[NH+](C)C)C1 ZINC000361047002 299795490 /nfs/dbraw/zinc/79/54/90/299795490.db2.gz UZYUOAINGCQKQE-GFCCVEGCSA-N 1 0 311.386 1.277 20 5 DDBDRO CC(C)(C(=O)N[C@H]1C[C@H]1C1CC[NH2+]CC1)n1cc([N+](=O)[O-])cn1 ZINC000361099937 299801511 /nfs/dbraw/zinc/80/15/11/299801511.db2.gz XFPGPQWHELVMGI-STQMWFEESA-N 1 0 321.381 1.031 20 5 DDBDRO CC[C@H](C)[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000007077701 406749704 /nfs/dbraw/zinc/74/97/04/406749704.db2.gz CPGSCBQEAZVNMW-JTQLQIEISA-N 1 0 301.368 1.261 20 5 DDBDRO O=C(Cn1cc([N+](=O)[O-])cn1)NCCC[NH+]1CCCCCC1 ZINC000044669817 407029057 /nfs/dbraw/zinc/02/90/57/407029057.db2.gz AILMUZHTYYHQLT-UHFFFAOYSA-N 1 0 309.370 1.174 20 5 DDBDRO CC(C)[C@@H](CNc1ccc([N+](=O)[O-])cn1)[NH+]1CCN(C)CC1 ZINC000045851956 407049890 /nfs/dbraw/zinc/04/98/90/407049890.db2.gz HWRDMZWKDAJWOC-CQSZACIVSA-N 1 0 307.398 1.674 20 5 DDBDRO C[C@@H]1C[NH2+][C@@H](C)CN1S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000086468653 407112351 /nfs/dbraw/zinc/11/23/51/407112351.db2.gz JITAZQSPHZCTQY-WDEREUQCSA-N 1 0 313.379 1.107 20 5 DDBDRO CC[C@@H](CSC)[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000091097020 407178384 /nfs/dbraw/zinc/17/83/84/407178384.db2.gz LXXCGKVFGDGFLH-JQWIXIFHSA-N 1 0 302.400 1.226 20 5 DDBDRO Cc1cc(C(=O)NCCCC[NH+]2CCOCC2)cc([N+](=O)[O-])c1 ZINC000122483414 407303235 /nfs/dbraw/zinc/30/32/35/407303235.db2.gz LVGYZGRNKNEANZ-UHFFFAOYSA-N 1 0 321.377 1.745 20 5 DDBDRO C[C@@H]1CCC[N@H+](CCNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C1 ZINC000098093508 407305726 /nfs/dbraw/zinc/30/57/26/407305726.db2.gz TVGQGOIZTVVRTE-SNVBAGLBSA-N 1 0 308.338 1.157 20 5 DDBDRO CC[N@@H+]1CC[C@@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000107895227 407381139 /nfs/dbraw/zinc/38/11/39/407381139.db2.gz PSFMFOGZAHXEII-VIFPVBQESA-N 1 0 310.329 1.388 20 5 DDBDRO COc1ccc(C[NH2+][C@@H](C)CC[S@@](C)=O)cc1[N+](=O)[O-] ZINC000125570169 407392251 /nfs/dbraw/zinc/39/22/51/407392251.db2.gz BBMJNFKHTOZSKP-FVINQWEUSA-N 1 0 300.380 1.850 20 5 DDBDRO Cc1c(Cl)cc(S(=O)(=O)N[C@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000111303463 407406658 /nfs/dbraw/zinc/40/66/58/407406658.db2.gz HERCNGYTMMMLBP-ZCFIWIBFSA-N 1 0 307.759 1.182 20 5 DDBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(N)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000127418158 407435906 /nfs/dbraw/zinc/43/59/06/407435906.db2.gz MGUPOCLOGORBCA-RISCZKNCSA-N 1 0 320.393 1.979 20 5 DDBDRO C[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)[C@H]1COc2ccccc21 ZINC000185563851 407453288 /nfs/dbraw/zinc/45/32/88/407453288.db2.gz QPEKZPUWRAIGFH-DGCLKSJQSA-N 1 0 302.334 1.946 20 5 DDBDRO Cc1n[nH]c(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c1[N+](=O)[O-] ZINC000266613417 407579984 /nfs/dbraw/zinc/57/99/84/407579984.db2.gz CBUNOGFEHJEUFN-NEPJUHHUSA-N 1 0 321.381 1.714 20 5 DDBDRO COc1ccc(C(=O)N[C@H]2CC[NH2+]CC2(C)C)cc1[N+](=O)[O-] ZINC000261702961 407588024 /nfs/dbraw/zinc/58/80/24/407588024.db2.gz LTBKSZBZSOHDKW-ZDUSSCGKSA-N 1 0 307.350 1.721 20 5 DDBDRO C[NH+]1CCC([C@@H]2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)CC1 ZINC000271132647 407530141 /nfs/dbraw/zinc/53/01/41/407530141.db2.gz NGINEDNSLGXKKV-LLVKDONJSA-N 1 0 307.354 1.122 20 5 DDBDRO C[NH+](C)CC1(CNC(=O)CCn2cc([N+](=O)[O-])cn2)CCCC1 ZINC000186185254 407598070 /nfs/dbraw/zinc/59/80/70/407598070.db2.gz WXBSREBIGWSMNY-UHFFFAOYSA-N 1 0 323.397 1.420 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)CC(C)(C)O ZINC000114728069 407608200 /nfs/dbraw/zinc/60/82/00/407608200.db2.gz GOUBVQVQLGBUOF-UHFFFAOYSA-N 1 0 309.366 1.935 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000228073997 407642410 /nfs/dbraw/zinc/64/24/10/407642410.db2.gz YBVKTISMRWDWFC-MNOVXSKESA-N 1 0 313.379 1.261 20 5 DDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[C@H](C)[NH3+] ZINC000178915060 407654926 /nfs/dbraw/zinc/65/49/26/407654926.db2.gz ZIFLYSHDBWIUPJ-VIFPVBQESA-N 1 0 301.368 1.173 20 5 DDBDRO C[C@@H]1C[NH2+]CCN1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000261889439 407658069 /nfs/dbraw/zinc/65/80/69/407658069.db2.gz SOKLWNWEJVZWNQ-SECBINFHSA-N 1 0 312.757 1.480 20 5 DDBDRO CCC(CC)(C[NH3+])C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000261912886 407669064 /nfs/dbraw/zinc/66/90/64/407669064.db2.gz YGSAPVYGEIFQIJ-UHFFFAOYSA-N 1 0 309.366 1.985 20 5 DDBDRO C[NH2+]C[C@H]1CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000178998782 407686527 /nfs/dbraw/zinc/68/65/27/407686527.db2.gz HVCZPWFVBUWKEQ-GFCCVEGCSA-N 1 0 307.350 1.432 20 5 DDBDRO Cc1c(NC(=O)CCN2CC[NH2+]C[C@H]2C)cccc1[N+](=O)[O-] ZINC000261900404 407664016 /nfs/dbraw/zinc/66/40/16/407664016.db2.gz VZCNAAWHLMDHAO-LLVKDONJSA-N 1 0 306.366 1.526 20 5 DDBDRO O=[N+]([O-])c1ccc(-c2noc(CN3CC[C@@H](CO)C3)n2)cc1 ZINC000266898881 407665006 /nfs/dbraw/zinc/66/50/06/407665006.db2.gz GBDGPFDCGNLQKV-SNVBAGLBSA-N 1 0 304.306 1.459 20 5 DDBDRO C[NH+](C)[C@]1(CNc2ccc([N+](=O)[O-])c3nonc32)CCSC1 ZINC000267075835 407738372 /nfs/dbraw/zinc/73/83/72/407738372.db2.gz JHORKDWKCNKEGE-ZDUSSCGKSA-N 1 0 323.378 1.980 20 5 DDBDRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000186682356 407740456 /nfs/dbraw/zinc/74/04/56/407740456.db2.gz QIVSKJMPOUZIJN-YGRLFVJLSA-N 1 0 318.377 1.897 20 5 DDBDRO CC1CCN(c2ccc(C(=O)NCCC[NH3+])cc2[N+](=O)[O-])CC1 ZINC000236729892 407765028 /nfs/dbraw/zinc/76/50/28/407765028.db2.gz IFLTXUDVEPMVJX-UHFFFAOYSA-N 1 0 320.393 1.910 20 5 DDBDRO CCc1n[nH]c(C(=O)NC2CC[NH+](C(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000171804054 407768686 /nfs/dbraw/zinc/76/86/86/407768686.db2.gz DNZYUALWFDDURO-UHFFFAOYSA-N 1 0 323.397 1.873 20 5 DDBDRO O=C(NCC[N@@H+]1CCCOCC1)NCc1ccccc1[N+](=O)[O-] ZINC000186866687 407785970 /nfs/dbraw/zinc/78/59/70/407785970.db2.gz URMBQKQMMDOQOR-UHFFFAOYSA-N 1 0 322.365 1.116 20 5 DDBDRO C[NH2+]Cc1cccc(NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)c1 ZINC000237203431 407802874 /nfs/dbraw/zinc/80/28/74/407802874.db2.gz HUCAQVFTBANOIQ-UHFFFAOYSA-N 1 0 317.349 1.885 20 5 DDBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC[NH2+]C1CC1 ZINC000237540617 407826326 /nfs/dbraw/zinc/82/63/26/407826326.db2.gz OADLEUYKUKDUOL-JTQLQIEISA-N 1 0 309.391 1.944 20 5 DDBDRO CC[NH2+][C@H](C)CNS(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000262434911 407835192 /nfs/dbraw/zinc/83/51/92/407835192.db2.gz FYVPSDNGJJVOGM-LLVKDONJSA-N 1 0 315.395 1.488 20 5 DDBDRO [NH3+][C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000237985291 407863675 /nfs/dbraw/zinc/86/36/75/407863675.db2.gz MWWVEOYFWIHWLZ-SSDOTTSWSA-N 1 0 314.139 1.531 20 5 DDBDRO COc1ccc(OCC[NH+]2CCC(CO)CC2)c([N+](=O)[O-])c1 ZINC000173524916 407884331 /nfs/dbraw/zinc/88/43/31/407884331.db2.gz ITHFFXDOOWCMPQ-UHFFFAOYSA-N 1 0 310.350 1.687 20 5 DDBDRO C[C@@H]1CN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])C[C@@H](C)[NH2+]1 ZINC000153714653 407885100 /nfs/dbraw/zinc/88/51/00/407885100.db2.gz SNBFZVITXNTYRK-VXGBXAGGSA-N 1 0 306.366 1.240 20 5 DDBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000268102278 407889428 /nfs/dbraw/zinc/88/94/28/407889428.db2.gz FTHXKLZLDONKFT-RISCZKNCSA-N 1 0 318.377 1.877 20 5 DDBDRO O=C(NCC[C@@H]1CCC[NH2+]C1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000238145478 407895638 /nfs/dbraw/zinc/89/56/38/407895638.db2.gz ZMVDIVYJPJASPB-JTQLQIEISA-N 1 0 317.349 1.591 20 5 DDBDRO CCC[C@](C)([NH3+])C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000262720941 407910263 /nfs/dbraw/zinc/91/02/63/407910263.db2.gz ZOXFJDXJUBNQLO-ABAIWWIYSA-N 1 0 321.381 1.520 20 5 DDBDRO CNC(=O)c1ccc(N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000267599232 407848171 /nfs/dbraw/zinc/84/81/71/407848171.db2.gz JBFABSXIDMFDPH-AAEUAGOBSA-N 1 0 320.393 1.731 20 5 DDBDRO COc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1[N+](=O)[O-] ZINC000245437247 407981519 /nfs/dbraw/zinc/98/15/19/407981519.db2.gz DRDMZFMXXVAUEF-OLZOCXBDSA-N 1 0 319.361 1.912 20 5 DDBDRO CSC[C@H](O)C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000188067358 407916723 /nfs/dbraw/zinc/91/67/23/407916723.db2.gz QANAIYGPYLXJFD-CMPLNLGQSA-N 1 0 312.395 1.200 20 5 DDBDRO Cc1ccc(S(=O)(=O)N2CC[NH2+][C@@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000262769111 407922408 /nfs/dbraw/zinc/92/24/08/407922408.db2.gz LTSXPNQECVUCPH-WDEREUQCSA-N 1 0 313.379 1.274 20 5 DDBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000268162286 407923639 /nfs/dbraw/zinc/92/36/39/407923639.db2.gz CZEFGTNBLRUUKA-RISCZKNCSA-N 1 0 303.362 1.736 20 5 DDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000272451589 407925846 /nfs/dbraw/zinc/92/58/46/407925846.db2.gz NPPYYGUIWXXNMR-NWDGAFQWSA-N 1 0 304.350 1.534 20 5 DDBDRO C[C@@H]1C[C@H](NC(=O)CCNc2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000262795773 407933387 /nfs/dbraw/zinc/93/33/87/407933387.db2.gz DOZXMIJDXYOBLK-VXGBXAGGSA-N 1 0 306.366 1.654 20 5 DDBDRO COc1ccc(CNC(=O)CCC2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000263091987 408024609 /nfs/dbraw/zinc/02/46/09/408024609.db2.gz YNYMQYQTUUUWAD-UHFFFAOYSA-N 1 0 321.377 1.999 20 5 DDBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)Nc3ccncc3[N+](=O)[O-])[C@@H]2C1 ZINC000272768228 408011244 /nfs/dbraw/zinc/01/12/44/408011244.db2.gz WYWNPNRHLXLBQG-GXFFZTMASA-N 1 0 305.338 1.548 20 5 DDBDRO CCC[NH+](CCC)CCCNC(=O)c1c([N+](=O)[O-])cnn1C ZINC000119226055 408017289 /nfs/dbraw/zinc/01/72/89/408017289.db2.gz SWXDDFAJTUBVFN-UHFFFAOYSA-N 1 0 311.386 1.570 20 5 DDBDRO C[NH2+]C[C@@H](C)CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000154674140 408069084 /nfs/dbraw/zinc/06/90/84/408069084.db2.gz XWURLMRPNGSSEN-LLVKDONJSA-N 1 0 317.349 1.366 20 5 DDBDRO C[NH2+]C[C@H](C)CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000154703982 408072367 /nfs/dbraw/zinc/07/23/67/408072367.db2.gz RCDFTZFDIXEMLI-LBPRGKRZSA-N 1 0 308.382 1.759 20 5 DDBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC[C@@H]([NH+](C)C)C1 ZINC000245809726 408072840 /nfs/dbraw/zinc/07/28/40/408072840.db2.gz OGQIRIHORVTNAE-QWHCGFSZSA-N 1 0 320.393 1.948 20 5 DDBDRO C[C@@H](O)[C@H]1CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000182492269 408178987 /nfs/dbraw/zinc/17/89/87/408178987.db2.gz LZPBWQMQNGGYDP-AGIUHOORSA-N 1 0 310.350 1.037 20 5 DDBDRO C[C@H]1CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@@H]1CO ZINC000190425381 408243294 /nfs/dbraw/zinc/24/32/94/408243294.db2.gz YYGXMRRHQPYISJ-SGMGOOAPSA-N 1 0 310.350 1.037 20 5 DDBDRO C[C@@H](CC[NH+](C)C)NC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000263791737 408258101 /nfs/dbraw/zinc/25/81/01/408258101.db2.gz YKNPJISKOIQEKR-LBPRGKRZSA-N 1 0 308.382 1.777 20 5 DDBDRO COCCC[NH+]1CCC(Nc2ncc([N+](=O)[O-])s2)CC1 ZINC000190324261 408221766 /nfs/dbraw/zinc/22/17/66/408221766.db2.gz HTUDLWURFYREIM-UHFFFAOYSA-N 1 0 300.384 1.964 20 5 DDBDRO C[NH2+]C[C@H]1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000269166950 408228830 /nfs/dbraw/zinc/22/88/30/408228830.db2.gz DZRXSYJRHXPCNF-SNVBAGLBSA-N 1 0 321.333 1.048 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CC[C@@]3(CCOC3)C2)c1 ZINC000246739028 408330432 /nfs/dbraw/zinc/33/04/32/408330432.db2.gz AWLGLJXJMURAHC-GDBMZVCRSA-N 1 0 322.361 1.447 20 5 DDBDRO C[NH+](C)[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000133510679 162060088 /nfs/dbraw/zinc/06/00/88/162060088.db2.gz JIANHMYYDYICKU-CQSZACIVSA-N 1 0 309.341 1.733 20 5 DDBDRO CCCN(C(=O)c1ccc(OC)c([N+](=O)[O-])c1)[C@@H]1CC[NH2+]C1 ZINC000171504761 162222368 /nfs/dbraw/zinc/22/23/68/162222368.db2.gz RUTIBCVSEIIKMF-GFCCVEGCSA-N 1 0 307.350 1.818 20 5 DDBDRO CCc1n[nH]c(C(=O)N2CCC[N@@H+](C3CC3)CC2)c1[N+](=O)[O-] ZINC000171806415 162243352 /nfs/dbraw/zinc/24/33/52/162243352.db2.gz WLOOQSNHUOCABA-UHFFFAOYSA-N 1 0 307.354 1.191 20 5 DDBDRO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000158944705 408370336 /nfs/dbraw/zinc/37/03/36/408370336.db2.gz MQCRVQYIKGKENX-AOOOYVTPSA-N 1 0 315.333 1.438 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000246994874 408380877 /nfs/dbraw/zinc/38/08/77/408380877.db2.gz BEDVKTIRAKAEAY-LSDHHAIUSA-N 1 0 321.377 1.115 20 5 DDBDRO CN([C@@H](C[NH3+])C1CC1)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000159963257 408446925 /nfs/dbraw/zinc/44/69/25/408446925.db2.gz PFMBBGNQFBLWRI-ZDUSSCGKSA-N 1 0 313.379 1.094 20 5 DDBDRO Cc1nn(C)c(C(=O)N[C@@H]2CCC[N@@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000274440132 408405596 /nfs/dbraw/zinc/40/55/96/408405596.db2.gz HGGRYSZDGGBPRP-LLVKDONJSA-N 1 0 309.370 1.239 20 5 DDBDRO C[NH+](C)C1(CNC(=O)c2cccc([N+](=O)[O-])c2N)CCOCC1 ZINC000176699804 408420944 /nfs/dbraw/zinc/42/09/44/408420944.db2.gz ADNUJSDIAHNYMM-UHFFFAOYSA-N 1 0 322.365 1.018 20 5 DDBDRO C[C@@H](O)[C@@H]1CCCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000264410914 408479318 /nfs/dbraw/zinc/47/93/18/408479318.db2.gz JNOAHRHTJIKRKO-MFKMUULPSA-N 1 0 307.350 1.429 20 5 DDBDRO Cc1n[nH]c(C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)c1[N+](=O)[O-] ZINC000264429783 408487075 /nfs/dbraw/zinc/48/70/75/408487075.db2.gz ALKLVQKIRFZDKX-LLVKDONJSA-N 1 0 307.354 1.327 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCC[N@@H+]2CC)n1 ZINC000191810827 408496297 /nfs/dbraw/zinc/49/62/97/408496297.db2.gz DAIYWXXOYJGKTH-LLVKDONJSA-N 1 0 309.370 1.415 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160561220 408497180 /nfs/dbraw/zinc/49/71/80/408497180.db2.gz LJVMFHULIBKQCZ-CQSZACIVSA-N 1 0 321.377 1.480 20 5 DDBDRO CSc1ccc(C(=O)N2CCO[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000274715529 408506864 /nfs/dbraw/zinc/50/68/64/408506864.db2.gz AHAYMCYSRNXLTF-JTQLQIEISA-N 1 0 311.363 1.116 20 5 DDBDRO CC(C)(C)[C@H](O)C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000264366110 408461584 /nfs/dbraw/zinc/46/15/84/408461584.db2.gz VXTGSXYWLCGKBH-CYBMUJFWSA-N 1 0 308.382 1.519 20 5 DDBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Cn2cc([N+](=O)[O-])nc2C)[C@@H](C)C1 ZINC000247458151 408472054 /nfs/dbraw/zinc/47/20/54/408472054.db2.gz QUFUXUDOBALSOL-WCQYABFASA-N 1 0 323.397 1.288 20 5 DDBDRO CCCc1n[nH]c(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)c1[N+](=O)[O-] ZINC000247447301 408473252 /nfs/dbraw/zinc/47/32/52/408473252.db2.gz SLOBQXYPNJDLHK-PWSUYJOCSA-N 1 0 323.397 1.729 20 5 DDBDRO C[C@@H]([NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000177262172 408565126 /nfs/dbraw/zinc/56/51/26/408565126.db2.gz VXSRNCBTLDBRCW-SNVBAGLBSA-N 1 0 313.379 1.261 20 5 DDBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC2(CC1)NC(=O)NC2=O ZINC000270555719 408578199 /nfs/dbraw/zinc/57/81/99/408578199.db2.gz VVQBYWQUZFWDCZ-JTQLQIEISA-N 1 0 318.333 1.330 20 5 DDBDRO COCC[C@@](C)(O)C[NH2+]Cc1cc(OC)c(O)cc1[N+](=O)[O-] ZINC000265221547 408585123 /nfs/dbraw/zinc/58/51/23/408585123.db2.gz HCMQGAOCWNWYFM-CQSZACIVSA-N 1 0 314.338 1.186 20 5 DDBDRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000184337325 408593345 /nfs/dbraw/zinc/59/33/45/408593345.db2.gz VVLCBWAAEWLYBX-ZDUSSCGKSA-N 1 0 320.393 1.351 20 5 DDBDRO C[N@H+]1C[C@H]2CN(C(=O)Cc3ccc([N+](=O)[O-])cc3Cl)C[C@H]2C1 ZINC000192475757 408594484 /nfs/dbraw/zinc/59/44/84/408594484.db2.gz AFUCEKKYGNJXAZ-TXEJJXNPSA-N 1 0 323.780 1.811 20 5 DDBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c1 ZINC000192527766 408604481 /nfs/dbraw/zinc/60/44/81/408604481.db2.gz SJSVKGVRESEVNW-PHIMTYICSA-N 1 0 321.402 1.950 20 5 DDBDRO Cc1nc(N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000275662416 408638413 /nfs/dbraw/zinc/63/84/13/408638413.db2.gz YROLTXUWUKRUMK-NSHDSACASA-N 1 0 308.382 1.580 20 5 DDBDRO C[N@@H+]1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC000270879520 408722703 /nfs/dbraw/zinc/72/27/03/408722703.db2.gz DVDRIDAXQBJBBO-UHFFFAOYSA-N 1 0 307.350 1.526 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000184971597 408727561 /nfs/dbraw/zinc/72/75/61/408727561.db2.gz RQRWALTXQOLHDT-GDLCADMTSA-N 1 0 318.377 1.470 20 5 DDBDRO COc1cccc(NC[C@@H]2CN(C3CC3)CCO2)c1[N+](=O)[O-] ZINC000185382133 408802755 /nfs/dbraw/zinc/80/27/55/408802755.db2.gz CEIUICAYINOPFC-GFCCVEGCSA-N 1 0 307.350 1.879 20 5 DDBDRO C[N@H+](C[C@H](O)COc1ccc([N+](=O)[O-])c2cccnc12)C1CC1 ZINC000290869319 408847633 /nfs/dbraw/zinc/84/76/33/408847633.db2.gz ZNTBDLSLMDJGNF-LBPRGKRZSA-N 1 0 317.345 1.977 20 5 DDBDRO COC(=O)c1cnc(N2CC[NH+](CC3CC3)CC2)c([N+](=O)[O-])c1 ZINC000276627914 408893001 /nfs/dbraw/zinc/89/30/01/408893001.db2.gz VRURXCPGJBSFBY-UHFFFAOYSA-N 1 0 320.349 1.308 20 5 DDBDRO CCCc1n[nH]c(C(=O)N2CC[NH+]3CCC2CC3)c1[N+](=O)[O-] ZINC000188854285 163073130 /nfs/dbraw/zinc/07/31/30/163073130.db2.gz HCXYTBWNADPKKU-UHFFFAOYSA-N 1 0 307.354 1.191 20 5 DDBDRO COc1cc(C(=O)NC[C@H]2CC[N@H+](C)C2)cc([N+](=O)[O-])c1C ZINC000189208439 163089359 /nfs/dbraw/zinc/08/93/59/163089359.db2.gz OLVGBTGYXMZFMG-LLVKDONJSA-N 1 0 307.350 1.593 20 5 DDBDRO C[NH+](C)CCCNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000293170542 409062395 /nfs/dbraw/zinc/06/23/95/409062395.db2.gz XWQDBLSOYUXSAC-UHFFFAOYSA-N 1 0 315.395 1.008 20 5 DDBDRO C[C@H](CN1CCOCC1)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293592131 409144586 /nfs/dbraw/zinc/14/45/86/409144586.db2.gz FMOSVVVOJTYZON-VXGBXAGGSA-N 1 0 308.382 1.548 20 5 DDBDRO CC1CC[NH+](CCNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1 ZINC000283371534 409145246 /nfs/dbraw/zinc/14/52/46/409145246.db2.gz FCLDROOPWVUVEV-UHFFFAOYSA-N 1 0 324.356 1.778 20 5 DDBDRO COC[C@@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000279155853 409160008 /nfs/dbraw/zinc/16/00/08/409160008.db2.gz ZHMWAYVNCCININ-OCCSQVGLSA-N 1 0 310.350 1.757 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NCc1[nH]cnc1C ZINC000283558901 409176726 /nfs/dbraw/zinc/17/67/26/409176726.db2.gz VNDHJDSCBHMMCE-UHFFFAOYSA-N 1 0 304.306 1.955 20 5 DDBDRO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000279248191 409177960 /nfs/dbraw/zinc/17/79/60/409177960.db2.gz RJLLFLQCGWETPI-UHFFFAOYSA-N 1 0 322.340 1.673 20 5 DDBDRO CN(C)c1cc(F)c(C(=O)NC[C@H]2CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000279273771 409183049 /nfs/dbraw/zinc/18/30/49/409183049.db2.gz WOBVUHQGAKPONT-SNVBAGLBSA-N 1 0 324.356 1.481 20 5 DDBDRO C[NH2+][C@@H]1CCCN(Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000262026997 163752113 /nfs/dbraw/zinc/75/21/13/163752113.db2.gz NRGLZNFZFNFXBN-GFCCVEGCSA-N 1 0 309.366 1.796 20 5 DDBDRO COc1cc(C[NH2+]CCc2cn[nH]c2)c([N+](=O)[O-])cc1OC ZINC000289450848 409275158 /nfs/dbraw/zinc/27/51/58/409275158.db2.gz BMYQVFVZUNSWNJ-UHFFFAOYSA-N 1 0 306.322 1.667 20 5 DDBDRO Cc1c([C@@H](C)[NH2+]CCS(=O)(=O)N(C)C)cccc1[N+](=O)[O-] ZINC000290087965 409299046 /nfs/dbraw/zinc/29/90/46/409299046.db2.gz HGJOITFJTNRZNL-LLVKDONJSA-N 1 0 315.395 1.445 20 5 DDBDRO Cc1cc(OCC(=O)NC[C@H]2CC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000280410249 409307348 /nfs/dbraw/zinc/30/73/48/409307348.db2.gz AUNVCCRQXZPVQZ-GFCCVEGCSA-N 1 0 307.350 1.350 20 5 DDBDRO Cc1cc(OCC(=O)NC[C@@H]2CCC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000280470163 409316741 /nfs/dbraw/zinc/31/67/41/409316741.db2.gz GKMZEDMYQVVGQO-LBPRGKRZSA-N 1 0 307.350 1.492 20 5 DDBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@@H]3COC[C@H]3O)o2)c1 ZINC000295759071 409368132 /nfs/dbraw/zinc/36/81/32/409368132.db2.gz XTTVSZRXEAOYTO-ZIAGYGMSSA-N 1 0 304.302 1.704 20 5 DDBDRO C[N@@H+](Cc1ccccn1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000295243783 409394298 /nfs/dbraw/zinc/39/42/98/409394298.db2.gz YKTZZNBLLJOMGD-HNNXBMFYSA-N 1 0 317.345 1.862 20 5 DDBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCN2CCO[C@H]1C2 ZINC000295296577 409420119 /nfs/dbraw/zinc/42/01/19/409420119.db2.gz FCELOYXKWKECTB-CVEARBPZSA-N 1 0 305.378 1.542 20 5 DDBDRO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000295304980 409425130 /nfs/dbraw/zinc/42/51/30/409425130.db2.gz BJENIAGMXOKGJR-LBPRGKRZSA-N 1 0 323.397 1.569 20 5 DDBDRO COc1cccc([C@H](C)[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000321784103 164045395 /nfs/dbraw/zinc/04/53/95/164045395.db2.gz IWVYPYURAVWQPT-SMDDNHRTSA-N 1 0 320.349 1.512 20 5 DDBDRO C[NH+](C)CCN(C(=O)COc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000356901197 409702222 /nfs/dbraw/zinc/70/22/22/409702222.db2.gz XELMKMVDDDYJHR-UHFFFAOYSA-N 1 0 307.350 1.526 20 5 DDBDRO CC[C@@H](C)[NH+]1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000296915014 409703430 /nfs/dbraw/zinc/70/34/30/409703430.db2.gz LGXJKFZYRULXCR-GFCCVEGCSA-N 1 0 309.370 1.124 20 5 DDBDRO C[C@]1(O)CCOC[C@H]1[C@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000331623725 409707992 /nfs/dbraw/zinc/70/79/92/409707992.db2.gz YEXKBUXXPHEAMA-ZNMIVQPWSA-N 1 0 324.381 1.043 20 5 DDBDRO CC(C)(CN1CCOCC1)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000308647435 409781418 /nfs/dbraw/zinc/78/14/18/409781418.db2.gz LPURWZDMRQFGRK-UHFFFAOYSA-N 1 0 311.357 1.934 20 5 DDBDRO CCOC(=O)c1cc(C(=O)NCC2([NH3+])CCC2)cc([N+](=O)[O-])c1 ZINC000342642784 409781799 /nfs/dbraw/zinc/78/17/99/409781799.db2.gz ALYBLYXLOOMQEZ-UHFFFAOYSA-N 1 0 321.333 1.383 20 5 DDBDRO C[C@H]([NH3+])C[C@H](C)NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000320717986 409906807 /nfs/dbraw/zinc/90/68/07/409906807.db2.gz VIUGNXFYXFWDCM-YUMQZZPRSA-N 1 0 321.786 1.652 20 5 DDBDRO COCC[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)C(C)(C)C ZINC000338391562 409953857 /nfs/dbraw/zinc/95/38/57/409953857.db2.gz ZQLYKTGLUNZFFK-CYBMUJFWSA-N 1 0 311.382 1.797 20 5 DDBDRO COC(=O)[C@@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000346609486 410036579 /nfs/dbraw/zinc/03/65/79/410036579.db2.gz CZPGRZWINQMHCX-SMDDNHRTSA-N 1 0 308.334 1.857 20 5 DDBDRO [NH3+]CCCN(CC1CCCC1)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000357371261 409999158 /nfs/dbraw/zinc/99/91/58/409999158.db2.gz ZZRCRJMURWHUNP-UHFFFAOYSA-N 1 0 309.370 1.159 20 5 DDBDRO Cc1n[nH]c(C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000354665353 410003512 /nfs/dbraw/zinc/00/35/12/410003512.db2.gz QLWMGJWPHVGUCC-VHSXEESVSA-N 1 0 309.370 1.619 20 5 DDBDRO C[C@@H](O)C[C@@H]1CCCCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000286166585 287101019 /nfs/dbraw/zinc/10/10/19/287101019.db2.gz WOIPALXJXAUSHJ-KGLIPLIRSA-N 1 0 323.393 1.772 20 5 DDBDRO C[C@@H]1CC[C@@H]([N@H+](CCO)CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000351635837 410124412 /nfs/dbraw/zinc/12/44/12/410124412.db2.gz QKRIXZNWIIQUOB-CHWSQXEVSA-N 1 0 309.366 1.239 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CN(C)C1CC[NH+](CCO)CC1 ZINC000357653927 410163726 /nfs/dbraw/zinc/16/37/26/410163726.db2.gz XXEFDNZOHBHCAG-UHFFFAOYSA-N 1 0 323.393 1.492 20 5 DDBDRO C[C@@H]1CCNC(=O)[C@H]1[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000298551625 410286747 /nfs/dbraw/zinc/28/67/47/410286747.db2.gz OFMXMHAFWFRBID-YGRLFVJLSA-N 1 0 320.349 1.038 20 5 DDBDRO CCC[C@@H](C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1)[NH+](C)C ZINC000332741560 410248681 /nfs/dbraw/zinc/24/86/81/410248681.db2.gz ZMPSBEOUCMCUJD-AWEZNQCLSA-N 1 0 306.366 1.605 20 5 DDBDRO C[C@H]1C[N@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C[C@@H]1O ZINC000351774893 410224629 /nfs/dbraw/zinc/22/46/29/410224629.db2.gz PGFPHEDEWSVUPT-GWCFXTLKSA-N 1 0 321.333 1.205 20 5 DDBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000343199627 410227444 /nfs/dbraw/zinc/22/74/44/410227444.db2.gz FGOXMKVNQWHRGP-TUAOUCFPSA-N 1 0 321.381 1.795 20 5 DDBDRO C[C@H]([NH3+])[C@H]1CCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000351856779 410294550 /nfs/dbraw/zinc/29/45/50/410294550.db2.gz WFYKWZVJQYHVRZ-RYUDHWBXSA-N 1 0 306.366 1.227 20 5 DDBDRO CC[N@H+](C[C@@H](C)O)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000352187447 410534388 /nfs/dbraw/zinc/53/43/88/410534388.db2.gz RVSQBMIKZPBOPA-RISCZKNCSA-N 1 0 307.350 1.403 20 5 DDBDRO [NH3+]CC1CCC(CNC(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000343625373 410580399 /nfs/dbraw/zinc/58/03/99/410580399.db2.gz PGEIDUYOWZZROP-UHFFFAOYSA-N 1 0 309.370 1.063 20 5 DDBDRO CCC[N@H+](C)CC(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000355590732 410596833 /nfs/dbraw/zinc/59/68/33/410596833.db2.gz WGNLAHUCELBIJE-UHFFFAOYSA-N 1 0 309.322 1.662 20 5 DDBDRO CC[N@H+](C[C@@H](C)O)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000352202912 410545287 /nfs/dbraw/zinc/54/52/87/410545287.db2.gz NLQALLCWHRECLO-ZYHUDNBSSA-N 1 0 309.366 1.933 20 5 DDBDRO COc1cc([C@@H](C)[NH2+]CCn2cc([N+](=O)[O-])ccc2=O)ccn1 ZINC000347539137 410604464 /nfs/dbraw/zinc/60/44/64/410604464.db2.gz LVKPVYFWUXTXKL-LLVKDONJSA-N 1 0 318.333 1.511 20 5 DDBDRO CC[NH+]1CCN([C@@H](C)CNc2ncc([N+](=O)[O-])cc2C)CC1 ZINC000301520627 410736780 /nfs/dbraw/zinc/73/67/80/410736780.db2.gz LCYIEINDNXJBOA-ZDUSSCGKSA-N 1 0 307.398 1.736 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[N@H+]2CCCC[C@@H]2[C@@H](O)C(F)(F)F)n1 ZINC000340205520 410751663 /nfs/dbraw/zinc/75/16/63/410751663.db2.gz YLPRUAYYCKUGKA-MWLCHTKSSA-N 1 0 322.287 1.569 20 5 DDBDRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000359628209 410780209 /nfs/dbraw/zinc/78/02/09/410780209.db2.gz ZITSRWYQJGBUFR-CYBMUJFWSA-N 1 0 305.334 1.410 20 5 DDBDRO C[C@@H]1CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H]1O ZINC000330649745 410851626 /nfs/dbraw/zinc/85/16/26/410851626.db2.gz JELPDOFQFIXSMW-OSAQELSMSA-N 1 0 310.350 1.037 20 5 DDBDRO CCc1n[nH]c(C(=O)N2CCC(C[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000331095204 410945707 /nfs/dbraw/zinc/94/57/07/410945707.db2.gz ZYFPMQCSQVJAGC-UHFFFAOYSA-N 1 0 309.370 1.294 20 5 DDBDRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344242527 411049113 /nfs/dbraw/zinc/04/91/13/411049113.db2.gz OCTCKNVGZITEIC-JTQLQIEISA-N 1 0 307.325 1.948 20 5 DDBDRO NC(=O)c1cccc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000341722587 411051771 /nfs/dbraw/zinc/05/17/71/411051771.db2.gz OLOKNUXTFQUVRJ-WDEREUQCSA-N 1 0 304.350 1.732 20 5 DDBDRO C[C@@H]1[C@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CCS1(=O)=O ZINC000353854312 411136092 /nfs/dbraw/zinc/13/60/92/411136092.db2.gz IXQOLBAHXCJFOG-CBHWHFHUSA-N 1 0 310.375 1.773 20 5 DDBDRO NC(=O)c1cc([N+](=O)[O-])cnc1NCCNc1ccccn1 ZINC000360267655 411117299 /nfs/dbraw/zinc/11/72/99/411117299.db2.gz XGZLVQNBLFANQG-UHFFFAOYSA-N 1 0 302.294 1.008 20 5 DDBDRO O=C(N[C@@H]1CC[NH2+]C1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000418343736 225691142 /nfs/dbraw/zinc/69/11/42/225691142.db2.gz AQDAJMKGGFGNEV-GFCCVEGCSA-N 1 0 304.350 1.631 20 5 DDBDRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1CCc1ccc([N+](=O)[O-])cc1 ZINC000419336576 226121990 /nfs/dbraw/zinc/12/19/90/226121990.db2.gz XHRUDGNGMWGPDC-ZIAGYGMSSA-N 1 0 307.394 1.524 20 5 DDBDRO Nc1nc(N2CCC([NH2+]C3CCCC3)CC2)ncc1[N+](=O)[O-] ZINC000374003898 418482827 /nfs/dbraw/zinc/48/28/27/418482827.db2.gz SRVLJNHGFSIMHH-UHFFFAOYSA-N 1 0 306.370 1.468 20 5 DDBDRO NC(=O)c1ccnc(NCC23CCC[NH+]2CCC3)c1[N+](=O)[O-] ZINC000290907423 222010357 /nfs/dbraw/zinc/01/03/57/222010357.db2.gz GHZFRNLEPWXVFE-UHFFFAOYSA-N 1 0 305.338 1.129 20 5 DDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000361075668 418578563 /nfs/dbraw/zinc/57/85/63/418578563.db2.gz CQBZEACTWVTGIC-QWRGUYRKSA-N 1 0 306.366 1.849 20 5 DDBDRO CC(C)(O)C[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000189895797 222061274 /nfs/dbraw/zinc/06/12/74/222061274.db2.gz FFVMMNIORCYFQE-CQSZACIVSA-N 1 0 324.377 1.570 20 5 DDBDRO C[C@@H]1C[N@@H+](CCCCNc2ccncc2[N+](=O)[O-])C[C@H](C)O1 ZINC000361073600 418577795 /nfs/dbraw/zinc/57/77/95/418577795.db2.gz LTLZZBJOFALYQU-BETUJISGSA-N 1 0 308.382 1.713 20 5 DDBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1nccn1C ZINC000361107905 418585655 /nfs/dbraw/zinc/58/56/55/418585655.db2.gz BCNHZALROYVJMY-NSHDSACASA-N 1 0 317.349 1.835 20 5 DDBDRO C[C@@H]1CCOCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000374992225 418586096 /nfs/dbraw/zinc/58/60/96/418586096.db2.gz WLEHDDKDNVWDMB-OCCSQVGLSA-N 1 0 310.350 1.445 20 5 DDBDRO Cc1cc(C(=O)N2CC[C@H]3CC[N@@H+](C)[C@H]3C2)c(N)c([N+](=O)[O-])c1 ZINC000375037019 418593264 /nfs/dbraw/zinc/59/32/64/418593264.db2.gz HXURXPBZETUEKB-RISCZKNCSA-N 1 0 318.377 1.652 20 5 DDBDRO [NH2+]=C(NO)[C@H]1CCCCN1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000367464334 418600202 /nfs/dbraw/zinc/60/02/02/418600202.db2.gz RRLZOPUUCNPULD-LLVKDONJSA-N 1 0 323.309 1.814 20 5 DDBDRO C[C@@H]1C[N@H+](C)C[C@H]1c1nc(Cc2ccc([N+](=O)[O-])cn2)no1 ZINC000361262700 418614342 /nfs/dbraw/zinc/61/43/42/418614342.db2.gz OOIHAIMKVUPMRK-BXKDBHETSA-N 1 0 303.322 1.629 20 5 DDBDRO COC(=O)[C@@]12CCC[C@H]1C[N@H+](Cc1c([N+](=O)[O-])ncn1C)C2 ZINC000367796405 418635523 /nfs/dbraw/zinc/63/55/23/418635523.db2.gz RIMFLMHQOWPCCW-IINYFYTJSA-N 1 0 308.338 1.103 20 5 DDBDRO C[C@@H](CO)[N@@H+]1CCCN(c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000375508588 418651647 /nfs/dbraw/zinc/65/16/47/418651647.db2.gz UDIQCSNIVLIHIX-JTQLQIEISA-N 1 0 314.773 1.536 20 5 DDBDRO CCO[C@H]1COCC[C@@H]1[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000362019184 418739895 /nfs/dbraw/zinc/73/98/95/418739895.db2.gz UPROJUMDANSDQS-GJZGRUSLSA-N 1 0 310.350 1.757 20 5 DDBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCCN2)c1 ZINC000423012366 227311606 /nfs/dbraw/zinc/31/16/06/227311606.db2.gz KNGFLZCDTPYVFV-GVDBMIGSSA-N 1 0 319.405 1.884 20 5 DDBDRO Cc1ccc(N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c([N+](=O)[O-])c1 ZINC000371824944 418820184 /nfs/dbraw/zinc/82/01/84/418820184.db2.gz OMPFAQCDCLVCIA-GDBMZVCRSA-N 1 0 305.378 1.939 20 5 DDBDRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@@H]1C[C@@H]1[N+](=O)[O-] ZINC000372839443 418907080 /nfs/dbraw/zinc/90/70/80/418907080.db2.gz OOYWVLVNBPGOQL-CABCVRRESA-N 1 0 318.377 1.422 20 5 DDBDRO Nc1cc(C[N@@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)ccn1 ZINC000365880429 418918712 /nfs/dbraw/zinc/91/87/12/418918712.db2.gz QSMORTDAXIHOAI-GFCCVEGCSA-N 1 0 302.338 1.606 20 5 DDBDRO C[NH+]1CCC(n2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)n2)CC1 ZINC000373236385 418932769 /nfs/dbraw/zinc/93/27/69/418932769.db2.gz IEKIOQHHQRCAIQ-UHFFFAOYSA-N 1 0 319.321 1.903 20 5 DDBDRO [NH3+][C@@H]1CCCC[C@H]1CC(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000423823158 227723015 /nfs/dbraw/zinc/72/30/15/227723015.db2.gz HMCLUGRYNAUOQB-SMDDNHRTSA-N 1 0 318.377 1.782 20 5 DDBDRO [NH3+][C@@H]1CCCCCC[C@H]1C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000423902399 227785630 /nfs/dbraw/zinc/78/56/30/227785630.db2.gz LZNCFHYMRRALDW-CHWSQXEVSA-N 1 0 309.370 1.205 20 5 DDBDRO C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000411555767 419341856 /nfs/dbraw/zinc/34/18/56/419341856.db2.gz WWYXCQOXYWRKAI-TUKIKUTGSA-N 1 0 303.362 1.766 20 5 DDBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)NC[C@@H]1CCC[NH2+]C1 ZINC000417929401 419394471 /nfs/dbraw/zinc/39/44/71/419394471.db2.gz AIQDOEHHUBKLPP-CYBMUJFWSA-N 1 0 306.366 1.436 20 5 DDBDRO CN(C)C(=O)[C@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000411935958 419505250 /nfs/dbraw/zinc/50/52/50/419505250.db2.gz LHEFNKSCPDQNGN-LBPRGKRZSA-N 1 0 307.350 1.384 20 5 DDBDRO COc1cc(CN2CC[C@H]3[NH2+]CC[C@H]3C2)c([N+](=O)[O-])cc1OC ZINC000427130764 419601100 /nfs/dbraw/zinc/60/11/00/419601100.db2.gz LQKMFDYALDXCRD-WCQYABFASA-N 1 0 321.377 1.796 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)NCC[N@H+](C)C2CCCCC2)n1 ZINC000427456833 419663884 /nfs/dbraw/zinc/66/38/84/419663884.db2.gz QWYACUOSFOOVMT-UHFFFAOYSA-N 1 0 323.397 1.806 20 5 DDBDRO C[C@H](CNC(=O)COc1ccc([N+](=O)[O-])cc1)C[NH+]1CCCC1 ZINC000298873369 228805158 /nfs/dbraw/zinc/80/51/58/228805158.db2.gz VVFGOCODNBYCOS-CYBMUJFWSA-N 1 0 321.377 1.822 20 5 DDBDRO O=C(CCN1CC[C@H]2[NH2+]CC[C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000428036908 419797260 /nfs/dbraw/zinc/79/72/60/419797260.db2.gz RXFMPHXYENDRFA-IUODEOHRSA-N 1 0 318.377 1.607 20 5 DDBDRO O=[N+]([O-])c1cccc2c(N3CC[NH+](CCCO)CC3)ccnc21 ZINC000432343591 229097576 /nfs/dbraw/zinc/09/75/76/229097576.db2.gz XZWLUYMXOGLNHB-UHFFFAOYSA-N 1 0 316.361 1.647 20 5 DDBDRO CN1CC[NH2+]C[C@@H]1CN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000423517857 420068665 /nfs/dbraw/zinc/06/86/65/420068665.db2.gz OJFZKFMBVPZIDI-GDBMZVCRSA-N 1 0 304.394 1.465 20 5 DDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000423441018 420052866 /nfs/dbraw/zinc/05/28/66/420052866.db2.gz IYAPVIFFRZIBMV-CYBMUJFWSA-N 1 0 318.377 1.781 20 5 DDBDRO COC(=O)c1cc(NC(=O)N[C@H](C)[C@H](C)[NH3+])c(C)c([N+](=O)[O-])c1 ZINC000415606954 420123427 /nfs/dbraw/zinc/12/34/27/420123427.db2.gz ZGHWPLVJYDWUMN-DTWKUNHWSA-N 1 0 324.337 1.547 20 5 DDBDRO COc1ccc(NC(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC000415447881 420070857 /nfs/dbraw/zinc/07/08/57/420070857.db2.gz URDQMEWZWQIGLN-NXEZZACHSA-N 1 0 308.338 1.818 20 5 DDBDRO COc1ccc(NC(=O)N2C[C@H](C[NH3+])C[C@@H]2C)cc1[N+](=O)[O-] ZINC000415449449 420071003 /nfs/dbraw/zinc/07/10/03/420071003.db2.gz VVGKOBJKMADPDG-UWVGGRQHSA-N 1 0 308.338 1.804 20 5 DDBDRO COc1ccc(NC(=O)N[C@H]2CC[NH2+][C@H](C)C2)cc1[N+](=O)[O-] ZINC000415452424 420072725 /nfs/dbraw/zinc/07/27/25/420072725.db2.gz YHFHQBXFRWJQRQ-KOLCDFICSA-N 1 0 308.338 1.865 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)c1 ZINC000423590366 420090466 /nfs/dbraw/zinc/09/04/66/420090466.db2.gz IHELZVQHKGNKDN-ZWNOBZJWSA-N 1 0 307.350 1.721 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000430928932 420211137 /nfs/dbraw/zinc/21/11/37/420211137.db2.gz VUXMJTIRSRFMFW-RYUDHWBXSA-N 1 0 306.366 1.524 20 5 DDBDRO O=C(C[C@@H]1CSCC[NH2+]1)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000423729706 420146635 /nfs/dbraw/zinc/14/66/35/420146635.db2.gz VEILOLQRVGAHBK-MRVPVSSYSA-N 1 0 321.362 1.505 20 5 DDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000415747249 420163185 /nfs/dbraw/zinc/16/31/85/420163185.db2.gz PORPPWZNPIZSHX-CABZTGNLSA-N 1 0 320.349 1.044 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000420261936 420171529 /nfs/dbraw/zinc/17/15/29/420171529.db2.gz QJVUWKONDQILSS-NEPJUHHUSA-N 1 0 305.334 1.427 20 5 DDBDRO O=C(CCN1CC[C@@H]2C[NH2+]C[C@@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000420332055 420216074 /nfs/dbraw/zinc/21/60/74/420216074.db2.gz CMCNNLAVOOKITJ-RISCZKNCSA-N 1 0 304.350 1.217 20 5 DDBDRO CC1(C)CCC[NH2+][C@H]1CNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000430704992 420180669 /nfs/dbraw/zinc/18/06/69/420180669.db2.gz KEBKWOADQGZDNW-AWEZNQCLSA-N 1 0 321.377 1.868 20 5 DDBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430967255 420227886 /nfs/dbraw/zinc/22/78/86/420227886.db2.gz REJNYMNSDSEULT-GRYCIOLGSA-N 1 0 306.366 1.591 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@H](C[NH3+])C(C)(C)C ZINC000420356302 420233247 /nfs/dbraw/zinc/23/32/47/420233247.db2.gz GAHSIRANIGKCKG-GFCCVEGCSA-N 1 0 308.382 1.805 20 5 DDBDRO COc1ccc(NC(=O)CN2C[C@@H](C)[NH2+]C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000420402462 420265120 /nfs/dbraw/zinc/26/51/20/420265120.db2.gz QKNVOXGGZFCPMM-MNOVXSKESA-N 1 0 322.365 1.224 20 5 DDBDRO C[C@@H]1CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](C)C[NH2+]1 ZINC000420406980 420266590 /nfs/dbraw/zinc/26/65/90/420266590.db2.gz VAUHPIGYQRXYMU-NEPJUHHUSA-N 1 0 306.366 1.606 20 5 DDBDRO CCc1ccccc1[C@@H]([NH3+])CNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000423970860 420287765 /nfs/dbraw/zinc/28/77/65/420287765.db2.gz GLSNAHYNLQCAKS-AWEZNQCLSA-N 1 0 317.349 1.170 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@@H]([NH3+])Cc3ccccc32)n1 ZINC000424082554 420311217 /nfs/dbraw/zinc/31/12/17/420311217.db2.gz WGNMQYCGCYZSPF-NSHDSACASA-N 1 0 315.333 1.341 20 5 DDBDRO CC[N@H+](C)C[C@H]1CCN(c2c(C(N)=O)cccc2[N+](=O)[O-])C1 ZINC000420592776 420325349 /nfs/dbraw/zinc/32/53/49/420325349.db2.gz BCBVHQSRFMORNG-LLVKDONJSA-N 1 0 306.366 1.472 20 5 DDBDRO [NH3+]C[C@H]1CC[C@@H](NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000420445435 420291458 /nfs/dbraw/zinc/29/14/58/420291458.db2.gz AIKXFIGHCCXNED-CMPLNLGQSA-N 1 0 313.379 1.142 20 5 DDBDRO CC1(NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000420454590 420297958 /nfs/dbraw/zinc/29/79/58/420297958.db2.gz WEQRSZYEIJZWRG-UHFFFAOYSA-N 1 0 313.379 1.156 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[NH2+][C@@H](C)[C@H]1C ZINC000436055356 420303920 /nfs/dbraw/zinc/30/39/20/420303920.db2.gz BDNUFQATLMOHKF-NWDGAFQWSA-N 1 0 306.366 1.524 20 5 DDBDRO C[C@H](O)[C@H]1C[C@H](C)CC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000443349074 230006832 /nfs/dbraw/zinc/00/68/32/230006832.db2.gz SYPVCIUBNNRCJE-MBNYWOFBSA-N 1 0 309.366 1.238 20 5 DDBDRO [NH3+]Cc1cc(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)co1 ZINC000444126831 230051096 /nfs/dbraw/zinc/05/10/96/230051096.db2.gz MGCRGYDJQUEWQO-UHFFFAOYSA-N 1 0 301.302 1.845 20 5 DDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000417765012 420471958 /nfs/dbraw/zinc/47/19/58/420471958.db2.gz NHBAZCJDTKUDGB-UONOGXRCSA-N 1 0 318.377 1.531 20 5 DDBDRO C[C@@H]1CN(C(=O)NCCc2ccccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000417767712 420473348 /nfs/dbraw/zinc/47/33/48/420473348.db2.gz QUTOWININVZWTJ-DGCLKSJQSA-N 1 0 306.366 1.516 20 5 DDBDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000457103534 420615233 /nfs/dbraw/zinc/61/52/33/420615233.db2.gz BCCOXQFXPYEDAL-AWEZNQCLSA-N 1 0 321.377 1.915 20 5 DDBDRO COC(=O)[C@H](O)C1CC[NH+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000441230720 420641973 /nfs/dbraw/zinc/64/19/73/420641973.db2.gz JTXWTDMZVDKGNC-IAQYHMDHSA-N 1 0 322.361 1.902 20 5 DDBDRO O=C(/C=C\c1ccccc1[N+](=O)[O-])NCC[N@@H+]1CCCOCC1 ZINC000493085623 420752897 /nfs/dbraw/zinc/75/28/97/420752897.db2.gz CPPROEFNQACUKN-SREVYHEPSA-N 1 0 319.361 1.447 20 5 DDBDRO NC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000453374650 420723138 /nfs/dbraw/zinc/72/31/38/420723138.db2.gz SMBKBWOOTFVKRX-XQHKEYJVSA-N 1 0 321.381 1.519 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[C@@H](CC[NH3+])C1 ZINC000443058495 420739611 /nfs/dbraw/zinc/73/96/11/420739611.db2.gz KNQLPRBTFXIEIB-ZDUSSCGKSA-N 1 0 320.393 1.903 20 5 DDBDRO C[C@H](CO)[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000447685986 420793816 /nfs/dbraw/zinc/79/38/16/420793816.db2.gz OGRWHYLGZOVMER-LLVKDONJSA-N 1 0 319.365 1.364 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000448058399 420835022 /nfs/dbraw/zinc/83/50/22/420835022.db2.gz NECSRGCREKQWFY-YPMHNXCESA-N 1 0 305.382 1.781 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](CO)c1cnn(C)c1 ZINC000449210897 420970785 /nfs/dbraw/zinc/97/07/85/420970785.db2.gz SGUPBGCLYVUFAC-BXUZGUMPSA-N 1 0 304.350 1.583 20 5 DDBDRO CCOc1ccc(C(=O)N(C)C2(C[NH3+])CCC2)cc1[N+](=O)[O-] ZINC000449679809 421055456 /nfs/dbraw/zinc/05/54/56/421055456.db2.gz SEZVYVBUQWLAIU-UHFFFAOYSA-N 1 0 307.350 1.947 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000449684691 421057911 /nfs/dbraw/zinc/05/79/11/421057911.db2.gz LWUSXQHJIMBTOD-NSHDSACASA-N 1 0 307.350 1.865 20 5 DDBDRO CC[C@@H]([NH3+])CNC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000449607342 421037634 /nfs/dbraw/zinc/03/76/34/421037634.db2.gz XIFOSTYCZXRNNN-PSASIEDQSA-N 1 0 315.757 1.869 20 5 DDBDRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000449635813 421041337 /nfs/dbraw/zinc/04/13/37/421041337.db2.gz CHSPHBDNIFPSKI-NXEZZACHSA-N 1 0 317.349 1.718 20 5 DDBDRO COCC[N@H+](CCOc1cccc([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000490065427 421188071 /nfs/dbraw/zinc/18/80/71/421188071.db2.gz WHLRLPIYPYEFKF-AWEZNQCLSA-N 1 0 310.350 1.711 20 5 DDBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@H]1CCC[N@@H+]1CCCO ZINC000450601295 421215931 /nfs/dbraw/zinc/21/59/31/421215931.db2.gz YITFPXLKQQLBSD-GFCCVEGCSA-N 1 0 311.386 1.378 20 5 DDBDRO CN(C(=O)c1cc([N+](=O)[O-])cn1C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000560522660 421277305 /nfs/dbraw/zinc/27/73/05/421277305.db2.gz ZHDYYRGOEDBJCP-FOSCPWQOSA-N 1 0 306.366 1.631 20 5 DDBDRO C[NH+](C)CCN(Cc1cccs1)C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000548420398 421437396 /nfs/dbraw/zinc/43/73/96/421437396.db2.gz WYAWJVFUYMZYFE-UHFFFAOYSA-N 1 0 323.378 1.583 20 5 DDBDRO CNc1ccc(C(=O)N2CC[C@@H](OC)C[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000563159833 421465284 /nfs/dbraw/zinc/46/52/84/421465284.db2.gz UBQSUTFCWAVGLY-NWDGAFQWSA-N 1 0 322.365 1.215 20 5 DDBDRO [NH3+]C[C@H]1CN(Cc2csc([N+](=O)[O-])c2)CC12CCOCC2 ZINC000516570221 421552812 /nfs/dbraw/zinc/55/28/12/421552812.db2.gz PGELXIVMEAKMED-LBPRGKRZSA-N 1 0 311.407 1.844 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@]1(O)C[NH+]2CCC1CC2 ZINC000552025165 421568615 /nfs/dbraw/zinc/56/86/15/421568615.db2.gz AXZWYEMCUUINEL-MRXNPFEDSA-N 1 0 319.361 1.090 20 5 DDBDRO CNc1ccc(C(=O)N2CC[C@]3(CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000516284927 421537986 /nfs/dbraw/zinc/53/79/86/421537986.db2.gz KGMBMBPTDNRTKS-HNNXBMFYSA-N 1 0 304.350 1.462 20 5 DDBDRO CNc1nccc(C(=O)N2CCC[C@@H]([NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000566448631 421605431 /nfs/dbraw/zinc/60/54/31/421605431.db2.gz BGXXRCSIGMMFBM-LLVKDONJSA-N 1 0 321.381 1.588 20 5 DDBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000519535667 421697502 /nfs/dbraw/zinc/69/75/02/421697502.db2.gz BMWVYSNVHDNDIG-NEPJUHHUSA-N 1 0 308.382 1.905 20 5 DDBDRO C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000556321746 421708303 /nfs/dbraw/zinc/70/83/03/421708303.db2.gz HARCNJZARQDTRO-JBLDHEPKSA-N 1 0 307.354 1.120 20 5 DDBDRO C[C@H]([NH3+])C[C@H](C)NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000571560848 421726734 /nfs/dbraw/zinc/72/67/34/421726734.db2.gz HPFCJQXUCAOEFO-YUMQZZPRSA-N 1 0 321.786 1.652 20 5 DDBDRO Cc1c(CC(=O)NCC[N@H+]2CC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000533497594 421676109 /nfs/dbraw/zinc/67/61/09/421676109.db2.gz ZJUCRESSNMQLHR-LBPRGKRZSA-N 1 0 305.378 1.904 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000519885105 421735959 /nfs/dbraw/zinc/73/59/59/421735959.db2.gz ITJKXTHPQUZCLT-UHFFFAOYSA-N 1 0 308.382 1.880 20 5 DDBDRO [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000573610661 421987664 /nfs/dbraw/zinc/98/76/64/421987664.db2.gz LNACTNFBKCCLNN-GFCCVEGCSA-N 1 0 301.306 1.016 20 5 DDBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000574051879 422055848 /nfs/dbraw/zinc/05/58/48/422055848.db2.gz NSCRPIYAVYLYDA-JTQLQIEISA-N 1 0 321.381 1.374 20 5 DDBDRO C[C@@](C[NH3+])(NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)C1CC1 ZINC000574564657 422133253 /nfs/dbraw/zinc/13/32/53/422133253.db2.gz OPNRJZFPLPWVSE-AWEZNQCLSA-N 1 0 307.306 1.181 20 5 DDBDRO C[NH+](C)[C@H]1C[C@@H](CNc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C1 ZINC000594591205 422351651 /nfs/dbraw/zinc/35/16/51/422351651.db2.gz HOXMNVAGNDLLPA-HOMQSWHASA-N 1 0 317.349 1.996 20 5 DDBDRO C[C@H]1C[C@H]([NH3+])CCN1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000578903698 422673041 /nfs/dbraw/zinc/67/30/41/422673041.db2.gz SRWYXPNYDZOJJZ-WCQYABFASA-N 1 0 318.377 1.296 20 5 DDBDRO C[C@@]1(O)CCCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000179708899 263362341 /nfs/dbraw/zinc/36/23/41/263362341.db2.gz VIRMIBFDGMGARC-OAHLLOKOSA-N 1 0 308.334 1.808 20 5 DDBDRO CCS(=O)(=O)C[C@@H](C)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000341907273 271243872 /nfs/dbraw/zinc/24/38/72/271243872.db2.gz NJLYVQWNQGJHNC-LLVKDONJSA-N 1 0 300.380 1.550 20 5 DDBDRO Cc1nn(C)c(C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)c1[N+](=O)[O-] ZINC000344662750 272084391 /nfs/dbraw/zinc/08/43/91/272084391.db2.gz KMIQUOGEVOWQRU-NSHDSACASA-N 1 0 323.397 1.487 20 5 DDBDRO C[C@@H](O)C[N@@H+]1CCN(c2c3c(ccc2[N+](=O)[O-])NCC3)C[C@H]1C ZINC000275387164 274270499 /nfs/dbraw/zinc/27/04/99/274270499.db2.gz PYSWOEPDMHWHBM-VXGBXAGGSA-N 1 0 320.393 1.454 20 5 DDBDRO COCC[N@H+](C)CCNC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296580003 277212976 /nfs/dbraw/zinc/21/29/76/277212976.db2.gz IBLYQISFLGZYIM-LBPRGKRZSA-N 1 0 324.381 1.533 20 5 DDBDRO CO[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])c(C)cc2C)[C@H](C[NH3+])C1 ZINC000423504307 277291133 /nfs/dbraw/zinc/29/11/33/277291133.db2.gz GSXZHVQVPJTPGO-QWHCGFSZSA-N 1 0 321.377 1.790 20 5 DDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000193658134 279236174 /nfs/dbraw/zinc/23/61/74/279236174.db2.gz SKQXGCOXMZUCIL-UPJWGTAASA-N 1 0 318.377 1.415 20 5 DDBDRO CC(C)NC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296852441 279589465 /nfs/dbraw/zinc/58/94/65/279589465.db2.gz YEGSWYRRRZVXTI-QWRGUYRKSA-N 1 0 322.365 1.868 20 5 DDBDRO Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000123466481 281171789 /nfs/dbraw/zinc/17/17/89/281171789.db2.gz LWYBJKZEESUNCA-LLVKDONJSA-N 1 0 313.379 1.405 20 5 DDBDRO C[NH2+]C[C@@H]1CCCN1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000130953977 281400114 /nfs/dbraw/zinc/40/01/14/281400114.db2.gz VKONFOQOJWVEEV-ZDUSSCGKSA-N 1 0 313.379 1.108 20 5 DDBDRO CC[NH+](CC)CCNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000133873683 281517851 /nfs/dbraw/zinc/51/78/51/281517851.db2.gz UEYACDWJDZIMDN-UHFFFAOYSA-N 1 0 315.395 1.356 20 5 DDBDRO CC(C)[N@H+](C)C[C@@H](O)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000324470664 298262908 /nfs/dbraw/zinc/26/29/08/298262908.db2.gz ZULXCEYWTXMRFQ-CQSZACIVSA-N 1 0 319.365 1.554 20 5 DDBDRO COc1cc(C(=O)NCC[N@H+]2CC=C(C)CC2)ccc1[N+](=O)[O-] ZINC000358062411 299061587 /nfs/dbraw/zinc/06/15/87/299061587.db2.gz XIUPTCGMFGQQSO-UHFFFAOYSA-N 1 0 319.361 1.985 20 5 DDBDRO COC(=O)C[C@@]1(NCc2cc([N+](=O)[O-])ccc2OC)CCOC1 ZINC000362276427 300041752 /nfs/dbraw/zinc/04/17/52/300041752.db2.gz GXKAURCJJJQYGF-HNNXBMFYSA-N 1 0 324.333 1.415 20 5 DDBDRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000362444040 300064803 /nfs/dbraw/zinc/06/48/03/300064803.db2.gz BRXQEAZRXZLQIJ-RISCZKNCSA-N 1 0 306.366 1.321 20 5 DDBDRO COCCC[N@@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000364251637 300362888 /nfs/dbraw/zinc/36/28/88/300362888.db2.gz KXEWCCWWLRBPFQ-UHFFFAOYSA-N 1 0 321.377 1.779 20 5 DDBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C[C@H](O)C2(CC2)C1 ZINC000364435545 300397005 /nfs/dbraw/zinc/39/70/05/300397005.db2.gz SPKBFIKBSMPKSJ-GWCFXTLKSA-N 1 0 305.334 1.379 20 5 DDBDRO O=C(c1ccc([N+](=O)[O-])cn1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000366123810 300645426 /nfs/dbraw/zinc/64/54/26/300645426.db2.gz ILKRUDZILKIYCI-GFCCVEGCSA-N 1 0 304.350 1.548 20 5 DDBDRO Cn1cc(C[C@H]2CC[N@H+](CCn3ccc([N+](=O)[O-])n3)C2)cn1 ZINC000368405797 301020539 /nfs/dbraw/zinc/02/05/39/301020539.db2.gz VVLRTGSQJOVRCB-GFCCVEGCSA-N 1 0 304.354 1.089 20 5 DDBDRO C[NH+]1CCC(N2CC[C@H](NC(=O)c3ccc([N+](=O)[O-])o3)C2)CC1 ZINC000369279146 301155722 /nfs/dbraw/zinc/15/57/22/301155722.db2.gz VVTKLTZKVHROOT-NSHDSACASA-N 1 0 322.365 1.086 20 5 DDBDRO Cc1nc(C)n(C[C@@H]2CCC[N@@H+]2CCn2cc([N+](=O)[O-])cn2)n1 ZINC000369996093 301254716 /nfs/dbraw/zinc/25/47/16/301254716.db2.gz LQJCOBRTKQXBAW-ZDUSSCGKSA-N 1 0 319.369 1.164 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1CN1CCC[N@@H+](C2CCCC2)CC1 ZINC000370044250 301264329 /nfs/dbraw/zinc/26/43/29/301264329.db2.gz APGVPLJXDZMZNV-UHFFFAOYSA-N 1 0 307.398 1.779 20 5 DDBDRO Cc1nn(C)c(C(=O)N2CCC[C@H]3C[NH2+]CCC[C@H]32)c1[N+](=O)[O-] ZINC000373549477 301705755 /nfs/dbraw/zinc/70/57/55/301705755.db2.gz SJNMNOPNXNUZOE-NWDGAFQWSA-N 1 0 321.381 1.241 20 5 DDBDRO O=C1CC[C@@H]([NH2+]CCOc2cccc([N+](=O)[O-])c2)[C@@H](C2CC2)N1 ZINC000375341619 301927980 /nfs/dbraw/zinc/92/79/80/301927980.db2.gz MMNPJZPVUPBEOC-GDBMZVCRSA-N 1 0 319.361 1.620 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000377848154 302242498 /nfs/dbraw/zinc/24/24/98/302242498.db2.gz USTZCOYIMLTPNH-CYBMUJFWSA-N 1 0 318.377 1.760 20 5 DDBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000531804456 303257862 /nfs/dbraw/zinc/25/78/62/303257862.db2.gz ZPGCKLGGYGKRCB-ABAIWWIYSA-N 1 0 318.377 1.877 20 5 DDBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532144533 303277089 /nfs/dbraw/zinc/27/70/89/303277089.db2.gz DVOVTOPTIUOTAF-LBPRGKRZSA-N 1 0 306.366 1.984 20 5 DDBDRO COc1ccc(CC(=O)N2C[C@H](C)[N@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000534338945 303331901 /nfs/dbraw/zinc/33/19/01/303331901.db2.gz GVUNNXQILANMBS-RYUDHWBXSA-N 1 0 321.377 1.697 20 5 DDBDRO CC(C)n1cc([C@H](C)[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cn1 ZINC000544469410 303472634 /nfs/dbraw/zinc/47/26/34/303472634.db2.gz RTQZRYZBVFWPGC-SMDDNHRTSA-N 1 0 322.369 1.280 20 5 DDBDRO CC[NH+](CC)[C@H](CNC(=O)c1c[nH]nc1[N+](=O)[O-])c1ccco1 ZINC000548413678 303588235 /nfs/dbraw/zinc/58/82/35/303588235.db2.gz HQWZNAIRMJLYLY-LLVKDONJSA-N 1 0 321.337 1.724 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CCCn1ccnc1 ZINC000551574845 303633887 /nfs/dbraw/zinc/63/38/87/303633887.db2.gz SPRDKSHPPPKMED-CYBMUJFWSA-N 1 0 320.349 1.211 20 5 DDBDRO COCC1([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)CCOCC1 ZINC000552082925 303652944 /nfs/dbraw/zinc/65/29/44/303652944.db2.gz JVQQNMJYPKUUKW-UHFFFAOYSA-N 1 0 310.350 1.889 20 5 DDBDRO O=C(CC[NH2+]CCNC(=O)C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000561575901 303845086 /nfs/dbraw/zinc/84/50/86/303845086.db2.gz DQGKLTNEYZAZGO-UHFFFAOYSA-N 1 0 320.349 1.039 20 5 DDBDRO C[C@@H]([NH3+])C[C@@H](C)NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000563127199 303924200 /nfs/dbraw/zinc/92/42/00/303924200.db2.gz WKVHUGRZGZTWME-NXEZZACHSA-N 1 0 301.368 1.140 20 5 DDBDRO CNC(=O)C[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000361635019 307001973 /nfs/dbraw/zinc/00/19/73/307001973.db2.gz CWUCKICLNIAEGB-ZDUSSCGKSA-N 1 0 317.349 1.258 20 5 DDBDRO COc1ccc(OCC[N@@H+]2C[C@H](C)[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC000362086967 307013700 /nfs/dbraw/zinc/01/37/00/307013700.db2.gz LFXAKBUVMMJIAF-RYUDHWBXSA-N 1 0 310.350 1.542 20 5 DDBDRO CC(C)(C)OC(=O)[C@](C)(O)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000362091460 307014145 /nfs/dbraw/zinc/01/41/45/307014145.db2.gz VFECQNUTZRVIQP-OAHLLOKOSA-N 1 0 310.350 1.777 20 5 DDBDRO O=C1NCCC[C@H]1[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000362374470 307019382 /nfs/dbraw/zinc/01/93/82/307019382.db2.gz BKPCYTJHWNQHKG-OAHLLOKOSA-N 1 0 319.361 1.717 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC000362644506 307023443 /nfs/dbraw/zinc/02/34/43/307023443.db2.gz RXULOAZCXQIHFN-GWCFXTLKSA-N 1 0 307.350 1.417 20 5 DDBDRO Cc1cc([N+](=O)[O-])cnc1N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000367518653 307096290 /nfs/dbraw/zinc/09/62/90/307096290.db2.gz NNYVOGQRNITPNH-ZDUSSCGKSA-N 1 0 319.409 1.879 20 5 DDBDRO C[N@@H+]1CCC[C@H]1CCN1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369017394 307114587 /nfs/dbraw/zinc/11/45/87/307114587.db2.gz OIDFLILIDQXYMR-UONOGXRCSA-N 1 0 307.398 1.913 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000369067639 307115168 /nfs/dbraw/zinc/11/51/68/307115168.db2.gz UUZQFMZUIJHRRV-LBPRGKRZSA-N 1 0 321.381 1.233 20 5 DDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000372088224 307163078 /nfs/dbraw/zinc/16/30/78/307163078.db2.gz KDGOXCSCVIQRII-FGWVZKOKSA-N 1 0 303.318 1.348 20 5 DDBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@H](c2nnc[nH]2)C1 ZINC000374540572 307209708 /nfs/dbraw/zinc/20/97/08/307209708.db2.gz FXTKCAPBSKATHW-LBPRGKRZSA-N 1 0 317.349 1.971 20 5 DDBDRO Cc1cc(C(=O)N2CC[C@H]3CC[N@@H+](C)[C@@H]3C2)c([N+](=O)[O-])c(=O)[nH]1 ZINC000376663595 307252399 /nfs/dbraw/zinc/25/23/99/307252399.db2.gz LJGVZJBHDXMSEJ-ZYHUDNBSSA-N 1 0 320.349 1.170 20 5 DDBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC[C@@H]1C[NH2+]CCCO1 ZINC000390141851 307293662 /nfs/dbraw/zinc/29/36/62/307293662.db2.gz JPPMFZNPAQEMHY-GBXSZLQWSA-N 1 0 305.334 1.103 20 5 DDBDRO CC(C)O[C@@H]1CC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000564915082 308011885 /nfs/dbraw/zinc/01/18/85/308011885.db2.gz AUPUACRPYZFQNR-ZIAGYGMSSA-N 1 0 324.377 1.834 20 5 DDBDRO CNc1ccc(C(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000566973695 308067477 /nfs/dbraw/zinc/06/74/77/308067477.db2.gz DOJSKVQNHBDGPK-GFCCVEGCSA-N 1 0 304.350 1.603 20 5 DDBDRO C[C@@H]([NH3+])[C@@H](C)NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000567110032 308071906 /nfs/dbraw/zinc/07/19/06/308071906.db2.gz NWJYPVTXGRKQNG-HTQZYQBOSA-N 1 0 304.306 1.314 20 5 DDBDRO Cc1ccsc1CC[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000567464039 308081126 /nfs/dbraw/zinc/08/11/26/308081126.db2.gz CEHVNVVKVPGHFZ-LBPRGKRZSA-N 1 0 310.379 1.354 20 5 DDBDRO COc1ccc(CC(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000567604944 308086054 /nfs/dbraw/zinc/08/60/54/308086054.db2.gz SXWDAQRTFPGZGH-OLZOCXBDSA-N 1 0 321.377 1.780 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@H](C)C[C@@H](C)[NH3+])c1 ZINC000569723719 308148573 /nfs/dbraw/zinc/14/85/73/308148573.db2.gz QWFQIFUEFWUBMT-NXEZZACHSA-N 1 0 315.395 1.616 20 5 DDBDRO Cc1cc(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)ccc1F ZINC000573165984 308230876 /nfs/dbraw/zinc/23/08/76/308230876.db2.gz LYNVOMNKQCAOLP-CYBMUJFWSA-N 1 0 308.313 1.390 20 5 DDBDRO COc1ccc(CC(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000573723090 308250950 /nfs/dbraw/zinc/25/09/50/308250950.db2.gz TWTFSQSVMIJGGU-VXGBXAGGSA-N 1 0 307.350 1.390 20 5 DDBDRO C[C@@](C[NH3+])(NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)C1CC1 ZINC000576219777 308297849 /nfs/dbraw/zinc/29/78/49/308297849.db2.gz NNVDUTWKPQTKTM-HNNXBMFYSA-N 1 0 321.333 1.223 20 5 DDBDRO CC1(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCOCC1 ZINC000576220349 308298085 /nfs/dbraw/zinc/29/80/85/308298085.db2.gz NHDYKADTCVMNGV-CYBMUJFWSA-N 1 0 324.377 1.741 20 5 DDBDRO CCc1ccc(S(=O)(=O)N2CC[C@@H]([NH2+]C)C2)cc1[N+](=O)[O-] ZINC000576517518 308320545 /nfs/dbraw/zinc/32/05/45/308320545.db2.gz TWNYFUGDBUJPGR-LLVKDONJSA-N 1 0 313.379 1.140 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CCOC(F)(F)F)c1 ZINC000576816944 308341528 /nfs/dbraw/zinc/34/15/28/308341528.db2.gz QISSUKIHKMNQIQ-SNVBAGLBSA-N 1 0 324.255 1.461 20 5 DDBDRO COc1cccc(C(=O)N[C@H]2CCCC[C@H]2C[NH3+])c1[N+](=O)[O-] ZINC000579226777 308515887 /nfs/dbraw/zinc/51/58/87/308515887.db2.gz OKSOIWMWMMPGED-JQWIXIFHSA-N 1 0 307.350 1.851 20 5 DDBDRO COC(=O)c1cc(C(=O)N(C)C2CC[NH2+]CC2)cc([N+](=O)[O-])c1 ZINC000579956030 308569720 /nfs/dbraw/zinc/56/97/20/308569720.db2.gz XOBDEVLKKGMKRK-UHFFFAOYSA-N 1 0 321.333 1.205 20 5 DDBDRO CC[C@H](C)[C@H](O)C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000580892196 308638727 /nfs/dbraw/zinc/63/87/27/308638727.db2.gz AIKIIQWBDVFKLX-NJZAAPMLSA-N 1 0 312.366 1.331 20 5 DDBDRO O=C(C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)NC1CCCCC1 ZINC001120658825 782078430 /nfs/dbraw/zinc/07/84/30/782078430.db2.gz VCPBQZKPZXNYAR-HNNXBMFYSA-N 1 0 321.377 1.667 20 5 DDBDRO COc1ccc(CC(=O)NCC2=CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000582236050 325995405 /nfs/dbraw/zinc/99/54/05/325995405.db2.gz SZZAXXANXUXEFZ-UHFFFAOYSA-N 1 0 305.334 1.182 20 5 DDBDRO [NH3+]CC12CCC(CC1)CN2CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000583391849 332382310 /nfs/dbraw/zinc/38/23/10/332382310.db2.gz JNLJGPCIBCISJC-UHFFFAOYSA-N 1 0 318.377 1.737 20 5 DDBDRO CC(=O)N1CC([NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000583703534 337092268 /nfs/dbraw/zinc/09/22/68/337092268.db2.gz AKJOPORSDRFWTR-CHWSQXEVSA-N 1 0 307.354 1.095 20 5 DDBDRO COC(=O)CC1([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000583148448 337246156 /nfs/dbraw/zinc/24/61/56/337246156.db2.gz BPWVOLOZTIFAQM-GFCCVEGCSA-N 1 0 324.333 1.020 20 5 DDBDRO C[C@H]1[C@H](CO)CC[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000488727961 484215401 /nfs/dbraw/zinc/21/54/01/484215401.db2.gz WZZVIZLGSRHLMJ-AAEUAGOBSA-N 1 0 319.361 1.187 20 5 DDBDRO C[C@H]([NH2+]CCN1C(=O)N[C@H](C)C1=O)c1ccccc1[N+](=O)[O-] ZINC000459388966 533856738 /nfs/dbraw/zinc/85/67/38/533856738.db2.gz PSVNFUORNZGMML-VHSXEESVSA-N 1 0 306.322 1.186 20 5 DDBDRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000417954165 534013411 /nfs/dbraw/zinc/01/34/11/534013411.db2.gz ZXZGAXQLMKDSPS-SMDDNHRTSA-N 1 0 306.366 1.435 20 5 DDBDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000418569306 534093361 /nfs/dbraw/zinc/09/33/61/534093361.db2.gz HWDFECZBMVUVRF-IUODEOHRSA-N 1 0 320.393 1.777 20 5 DDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000423611327 534740094 /nfs/dbraw/zinc/74/00/94/534740094.db2.gz OHLRHKHKGQXCBA-UHFFFAOYSA-N 1 0 318.377 1.783 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000157291517 527311627 /nfs/dbraw/zinc/31/16/27/527311627.db2.gz RWEKLBAYMSAYKS-IUODEOHRSA-N 1 0 318.377 1.855 20 5 DDBDRO C[NH+](C)C[C@@H]1CCN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC000736757935 598828765 /nfs/dbraw/zinc/82/87/65/598828765.db2.gz AFIRKDJWFGLINT-JTQLQIEISA-N 1 0 317.353 1.163 20 5 DDBDRO C[C@H](C(=O)OCCn1ccc([N+](=O)[O-])n1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000748128458 700101225 /nfs/dbraw/zinc/10/12/25/700101225.db2.gz IOIDTXMQJKHSHP-GRYCIOLGSA-N 1 0 310.354 1.596 20 5 DDBDRO O=[N+]([O-])c1ccnn1CN1CC[NH+](CC2CCCCC2)CC1 ZINC000128052318 696776156 /nfs/dbraw/zinc/77/61/56/696776156.db2.gz HWJRSYUGANYMLT-UHFFFAOYSA-N 1 0 307.398 1.947 20 5 DDBDRO Cc1nn(CN2CC[C@H](C[NH+]3CCCC3)C2)c(C)c1[N+](=O)[O-] ZINC000131378185 696806213 /nfs/dbraw/zinc/80/62/13/696806213.db2.gz JJQUCLCBCIPTBS-CQSZACIVSA-N 1 0 307.398 1.783 20 5 DDBDRO [NH3+]CC1CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000157642927 696980385 /nfs/dbraw/zinc/98/03/85/696980385.db2.gz NFPOKLAQQHBHOS-UHFFFAOYSA-N 1 0 317.342 1.093 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)[NH2+]C2CC3(CCC3)C2)cc1 ZINC000772882003 697687810 /nfs/dbraw/zinc/68/78/10/697687810.db2.gz YGFKCNNIMXNBOK-HUUCEWRRSA-N 1 0 306.362 1.911 20 5 DDBDRO Cc1c(C(=O)NC[C@@H]2CCC[N@H+]2C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000194732183 697719416 /nfs/dbraw/zinc/71/94/16/697719416.db2.gz CLNXPGZDNJNLDV-JTQLQIEISA-N 1 0 322.321 1.635 20 5 DDBDRO COC(=O)CC1CC[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776278784 698091169 /nfs/dbraw/zinc/09/11/69/698091169.db2.gz VSIZGWYBGXYKOC-OAHLLOKOSA-N 1 0 322.361 1.903 20 5 DDBDRO C[N@@H+]1CCC[C@@H](NC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C1 ZINC000778260571 698254626 /nfs/dbraw/zinc/25/46/26/698254626.db2.gz BKJBHQJUPKBTCL-SECBINFHSA-N 1 0 321.362 1.424 20 5 DDBDRO C[C@@H]1C[NH2+]CCN1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000261896010 698443360 /nfs/dbraw/zinc/44/33/60/698443360.db2.gz UYNWQUKNZOPDCJ-SECBINFHSA-N 1 0 312.757 1.480 20 5 DDBDRO C[NH+](C)C[C@]1(O)CCN(c2c(Cl)cncc2[N+](=O)[O-])C1 ZINC000713687255 699266694 /nfs/dbraw/zinc/26/66/94/699266694.db2.gz HAGGWXRHGSFDLI-GFCCVEGCSA-N 1 0 300.746 1.146 20 5 DDBDRO COCCN1CC[C@@H]([NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000788592503 699325959 /nfs/dbraw/zinc/32/59/59/699325959.db2.gz CEQZEGLPEFFTBV-DGCLKSJQSA-N 1 0 308.382 1.548 20 5 DDBDRO C[C@@H]([NH2+]C[C@@H]1CCS(=O)(=O)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788689493 699334572 /nfs/dbraw/zinc/33/45/72/699334572.db2.gz HFZMKHQUPZNRJD-ZJUUUORDSA-N 1 0 313.379 1.262 20 5 DDBDRO COCC[N@@H+]1CCC[C@H](Nc2nc3ccccn3c2[N+](=O)[O-])C1 ZINC000729987786 699496867 /nfs/dbraw/zinc/49/68/67/699496867.db2.gz ROEIRYFZLVWMFL-LBPRGKRZSA-N 1 0 319.365 1.765 20 5 DDBDRO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NCC[NH+]1CCCCC1 ZINC000791328841 699623747 /nfs/dbraw/zinc/62/37/47/699623747.db2.gz XLRSNPVFXQPGFG-UHFFFAOYSA-N 1 0 310.329 1.532 20 5 DDBDRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000801542030 700318812 /nfs/dbraw/zinc/31/88/12/700318812.db2.gz XKKQAQLSBXQVRE-JTNHKYCSSA-N 1 0 310.350 1.806 20 5 DDBDRO Cc1nn(C[N@H+]2CCC[C@@H]2C[C@H](C)O)c2ncc([N+](=O)[O-])cc12 ZINC000752803517 700388921 /nfs/dbraw/zinc/38/89/21/700388921.db2.gz JNMLIZQRTPCRKH-CMPLNLGQSA-N 1 0 319.365 1.841 20 5 DDBDRO Cc1ccc(CNS(=O)(=O)CCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000867785232 701748908 /nfs/dbraw/zinc/74/89/08/701748908.db2.gz LRDLWFBCNOGZEK-UHFFFAOYSA-N 1 0 315.395 1.274 20 5 DDBDRO CC(C)(CN1CCOCC1)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000839650007 701766117 /nfs/dbraw/zinc/76/61/17/701766117.db2.gz JRAYLWLBKXVOJW-HNNXBMFYSA-N 1 0 323.393 1.329 20 5 DDBDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000839708588 701791869 /nfs/dbraw/zinc/79/18/69/701791869.db2.gz KBCVMYVNGCFKNW-NILFDRSVSA-N 1 0 318.377 1.388 20 5 DDBDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815600405 701902210 /nfs/dbraw/zinc/90/22/10/701902210.db2.gz SLVHPGYLASAVMS-IRUJWGPZSA-N 1 0 306.366 1.742 20 5 DDBDRO C[C@@]1([NH3+])CCN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC000868081616 701931125 /nfs/dbraw/zinc/93/11/25/701931125.db2.gz ZATUQJDTNSQDGW-OAHLLOKOSA-N 1 0 303.362 1.966 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3cccc(F)c3[N+](=O)[O-])C[C@@H]2C1 ZINC000868452990 702137618 /nfs/dbraw/zinc/13/76/18/702137618.db2.gz QNFXUNMJMKPWRK-OLZOCXBDSA-N 1 0 321.352 1.687 20 5 DDBDRO CN1CC[NH+](C2CCN(c3cccc(F)c3[N+](=O)[O-])CC2)CC1 ZINC000866214137 706651111 /nfs/dbraw/zinc/65/11/11/706651111.db2.gz KAVRIHOONZECGJ-UHFFFAOYSA-N 1 0 322.384 1.950 20 5 DDBDRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000816954084 702237175 /nfs/dbraw/zinc/23/71/75/702237175.db2.gz STGALXSLNNAYNT-MFOKFAIFSA-N 1 0 301.346 1.771 20 5 DDBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1CCCN(C)C1=O ZINC000866278897 706662924 /nfs/dbraw/zinc/66/29/24/706662924.db2.gz BSOJMJJWGZBFMD-GXFFZTMASA-N 1 0 309.341 1.875 20 5 DDBDRO C[C@@H]1C[C@H](C)N(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000818021686 702556926 /nfs/dbraw/zinc/55/69/26/702556926.db2.gz FLJQNSJHQTYGAD-JFGNBEQYSA-N 1 0 306.366 1.622 20 5 DDBDRO CC(C)(C[NH3+])NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000841854498 702588187 /nfs/dbraw/zinc/58/81/87/702588187.db2.gz BEXREWBRNHUSTG-UHFFFAOYSA-N 1 0 300.746 1.785 20 5 DDBDRO C[NH2+][C@H]1CCN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000841854468 702588199 /nfs/dbraw/zinc/58/81/99/702588199.db2.gz ADHXZJJGXYIBEN-JTQLQIEISA-N 1 0 312.757 1.752 20 5 DDBDRO CO[C@@H]1COC[C@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000842907862 702789691 /nfs/dbraw/zinc/78/96/91/702789691.db2.gz IKKLTFWOOCLGLV-HZPDHXFCSA-N 1 0 321.377 1.567 20 5 DDBDRO Cc1c(C(=O)N[C@@H](C)C[C@H](C)[NH3+])cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000843509615 702897318 /nfs/dbraw/zinc/89/73/18/702897318.db2.gz ZNPAGHYWWXVKEW-YUMQZZPRSA-N 1 0 324.337 1.975 20 5 DDBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000866540344 706724493 /nfs/dbraw/zinc/72/44/93/706724493.db2.gz LYAKAWKTDUMUGS-YGRLFVJLSA-N 1 0 321.352 1.875 20 5 DDBDRO CC(C)[C@@H](C[NH+](C)C)NC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000845503354 703165543 /nfs/dbraw/zinc/16/55/43/703165543.db2.gz CRCIININLUGDEL-CYBMUJFWSA-N 1 0 311.357 1.979 20 5 DDBDRO COCC[NH+]1CCC(OC(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000847880681 703480064 /nfs/dbraw/zinc/48/00/64/703480064.db2.gz BLJMTBSZVAYTNQ-UHFFFAOYSA-N 1 0 323.349 1.445 20 5 DDBDRO O=C1O[C@@H](C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CN1C1CC1 ZINC000848679183 703574882 /nfs/dbraw/zinc/57/48/82/703574882.db2.gz RQCCGPHNZPBXML-UONOGXRCSA-N 1 0 321.333 1.201 20 5 DDBDRO COCC[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CCOCC1 ZINC000879710468 706767164 /nfs/dbraw/zinc/76/71/64/706767164.db2.gz ZEMDQNBFTMMEKG-INIZCTEOSA-N 1 0 324.377 1.756 20 5 DDBDRO COC(CC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1)OC ZINC000851715341 703835476 /nfs/dbraw/zinc/83/54/76/703835476.db2.gz QQESOAOFMYPBRG-UHFFFAOYSA-N 1 0 309.366 1.726 20 5 DDBDRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000818564236 703926785 /nfs/dbraw/zinc/92/67/85/703926785.db2.gz YHECSAOEUUFXTE-IUCAKERBSA-N 1 0 308.294 1.312 20 5 DDBDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000818564667 703927735 /nfs/dbraw/zinc/92/77/35/703927735.db2.gz KVPAWZPDQUFUJD-PWSUYJOCSA-N 1 0 317.349 1.140 20 5 DDBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)C[C@@H]1COCC[NH2+]1)CC2 ZINC000818608557 703939158 /nfs/dbraw/zinc/93/91/58/703939158.db2.gz HRKAGHPYWXNWAE-GFCCVEGCSA-N 1 0 305.334 1.171 20 5 DDBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)C[C@H]1COCC[NH2+]1)CC2 ZINC000818608558 703939170 /nfs/dbraw/zinc/93/91/70/703939170.db2.gz HRKAGHPYWXNWAE-LBPRGKRZSA-N 1 0 305.334 1.171 20 5 DDBDRO O=C1OCCN1[C@H]1CC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000852437434 704048520 /nfs/dbraw/zinc/04/85/20/704048520.db2.gz YCCMXDFGUWEPCD-KBPBESRZSA-N 1 0 321.333 1.155 20 5 DDBDRO COC(=O)N1CCC[C@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819002001 704048715 /nfs/dbraw/zinc/04/87/15/704048715.db2.gz HEIWUBUIZBFBSM-GXTWGEPZSA-N 1 0 323.349 1.449 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000870507849 704065140 /nfs/dbraw/zinc/06/51/40/704065140.db2.gz HXMYOVQFRKRPJA-UHFFFAOYSA-N 1 0 321.381 1.276 20 5 DDBDRO C[C@@H]1C[C@@H]1N1C[C@@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000819123035 704072521 /nfs/dbraw/zinc/07/25/21/704072521.db2.gz SLFJPZLAWGPPRF-UEEZHKSASA-N 1 0 319.361 1.227 20 5 DDBDRO CCNC(=O)N1CC[C@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000819160532 704078353 /nfs/dbraw/zinc/07/83/53/704078353.db2.gz GVIHYTJBQDCHHB-GXTWGEPZSA-N 1 0 322.365 1.022 20 5 DDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2C[C@H](O)C23CCC3)c([N+](=O)[O-])c1 ZINC000852583054 704081653 /nfs/dbraw/zinc/08/16/53/704081653.db2.gz PYQRMVNTVZJWOI-STQMWFEESA-N 1 0 307.306 1.896 20 5 DDBDRO CC(C)OC(=O)CCC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819233871 704091461 /nfs/dbraw/zinc/09/14/61/704091461.db2.gz CURPJNWWGYVCED-CQSZACIVSA-N 1 0 310.350 1.950 20 5 DDBDRO COc1ccc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)nc1 ZINC000819266812 704097549 /nfs/dbraw/zinc/09/75/49/704097549.db2.gz PEQKIDUTOGWAAK-HNNXBMFYSA-N 1 0 303.318 1.822 20 5 DDBDRO O=C(CC[NH2+][C@H]1CCn2ccnc21)Nc1ccccc1[N+](=O)[O-] ZINC000819337358 704109593 /nfs/dbraw/zinc/10/95/93/704109593.db2.gz ODLBGJSTPIFNFO-LBPRGKRZSA-N 1 0 315.333 1.855 20 5 DDBDRO COc1cccnc1C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819357153 704112308 /nfs/dbraw/zinc/11/23/08/704112308.db2.gz NJFLUQFXBFYXRH-AWEZNQCLSA-N 1 0 303.318 1.822 20 5 DDBDRO [NH3+]CC12CC(C1)CN2CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000852756668 704116212 /nfs/dbraw/zinc/11/62/12/704116212.db2.gz SNCITRBBXSOHKU-UHFFFAOYSA-N 1 0 324.768 1.610 20 5 DDBDRO CS(=O)(=O)CCCC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819382651 704117716 /nfs/dbraw/zinc/11/77/16/704117716.db2.gz PRXGOMVGTWQOBD-CYBMUJFWSA-N 1 0 316.379 1.043 20 5 DDBDRO Cc1cccc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c1 ZINC000870908892 704163866 /nfs/dbraw/zinc/16/38/66/704163866.db2.gz CFRAHKUJSOTBNE-RRFJBIMHSA-N 1 0 303.362 1.351 20 5 DDBDRO C[C@@]1(NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC[NH2+]C1 ZINC000852931150 704174635 /nfs/dbraw/zinc/17/46/35/704174635.db2.gz VBLUDLRGQLTPIV-CYBMUJFWSA-N 1 0 315.732 1.798 20 5 DDBDRO C[N@@H+]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CCC1(C)C ZINC000871152834 704231719 /nfs/dbraw/zinc/23/17/19/704231719.db2.gz UTLSXFHWJRVWIZ-UHFFFAOYSA-N 1 0 324.356 1.872 20 5 DDBDRO C[C@@H](CN(C)CCC[NH+](C)C)Nc1ccc(N)cc1[N+](=O)[O-] ZINC000853773388 704314132 /nfs/dbraw/zinc/31/41/32/704314132.db2.gz CGKDPBXEMFGVLF-LBPRGKRZSA-N 1 0 309.414 1.861 20 5 DDBDRO Cc1cc(NCCOC(=O)N(C)C)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000853826010 704322148 /nfs/dbraw/zinc/32/21/48/704322148.db2.gz NURJZXLRUBGYMM-UHFFFAOYSA-N 1 0 318.333 1.983 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@H](C)[C@H]1CN(C)CCO1 ZINC000821091299 704371149 /nfs/dbraw/zinc/37/11/49/704371149.db2.gz AQQQGTGLIQSUEJ-TZMCWYRMSA-N 1 0 321.377 1.661 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H]2CN(C(C)=O)C[C@H]2C1 ZINC000821328854 704391527 /nfs/dbraw/zinc/39/15/27/704391527.db2.gz QRTGVRBFDCUUAR-OKILXGFUSA-N 1 0 319.361 1.514 20 5 DDBDRO CCN(C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@H+](CC)C1 ZINC000855485766 704487269 /nfs/dbraw/zinc/48/72/69/704487269.db2.gz HDAFOBVEPBZZAU-HUUCEWRRSA-N 1 0 321.377 1.571 20 5 DDBDRO CC[NH2+]CCCNC(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857762892 704621540 /nfs/dbraw/zinc/62/15/40/704621540.db2.gz HPBYNNGCWNCKTD-UHFFFAOYSA-N 1 0 317.292 1.682 20 5 DDBDRO [NH3+]C1(CO)CCN(c2ccc3cnccc3c2[N+](=O)[O-])CC1 ZINC000858410859 704707436 /nfs/dbraw/zinc/70/74/36/704707436.db2.gz COAYBMIPZJMIAS-UHFFFAOYSA-N 1 0 302.334 1.433 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@H]3C[C@@H](O)C3)CC2)cc1 ZINC000858545602 704725361 /nfs/dbraw/zinc/72/53/61/704725361.db2.gz SEPVNNMPLOJFIZ-DRQUAOQDSA-N 1 0 305.378 1.924 20 5 DDBDRO CCC([NH3+])(CC)CNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000832811906 706990132 /nfs/dbraw/zinc/99/01/32/706990132.db2.gz LMIIXRCDECPRKG-UHFFFAOYSA-N 1 0 319.365 1.578 20 5 DDBDRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000874850681 705203218 /nfs/dbraw/zinc/20/32/18/705203218.db2.gz VUUDOEHAABRUPN-HUUCEWRRSA-N 1 0 303.362 1.832 20 5 DDBDRO CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825410973 705665411 /nfs/dbraw/zinc/66/54/11/705665411.db2.gz CAKMEGQLFGBHHP-ZFWWWQNUSA-N 1 0 323.393 1.721 20 5 DDBDRO O=C(/C=C/[C@H]1CCC[NH2+]C1)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000876563506 705759771 /nfs/dbraw/zinc/75/97/71/705759771.db2.gz JNIBZRKJRNUWNP-ZHAHRWAOSA-N 1 0 318.377 1.679 20 5 DDBDRO CCN(OC)C(=O)CNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000826751744 705864250 /nfs/dbraw/zinc/86/42/50/705864250.db2.gz PTSWYNBGCAJTJH-UHFFFAOYSA-N 1 0 318.333 1.695 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)COc3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000827346623 705982390 /nfs/dbraw/zinc/98/23/90/705982390.db2.gz PSBOFNCFIKVFKU-DOMZBBRYSA-N 1 0 319.361 1.526 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000827363734 705985459 /nfs/dbraw/zinc/98/54/59/705985459.db2.gz CABPIJKYHGOBSC-FZMZJTMJSA-N 1 0 319.361 1.770 20 5 DDBDRO C[N@@H+]1CC[C@H]2CN(C(=O)c3ccc(N)c([N+](=O)[O-])c3)CC[C@H]21 ZINC000827371933 705988093 /nfs/dbraw/zinc/98/80/93/705988093.db2.gz BELWJINKVDYOSD-WCQYABFASA-N 1 0 304.350 1.343 20 5 DDBDRO O=C(NCC[N@H+]1CC[C@H](O)C1)c1cc([N+](=O)[O-])ccc1Cl ZINC000863829895 706022824 /nfs/dbraw/zinc/02/28/24/706022824.db2.gz MHTGQTBMHZJBBG-JTQLQIEISA-N 1 0 313.741 1.045 20 5 DDBDRO CCOc1ccc(C(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)cc1[N+](=O)[O-] ZINC000877288644 706049591 /nfs/dbraw/zinc/04/95/91/706049591.db2.gz OZWDSAQKGWJLIU-CHWSQXEVSA-N 1 0 319.361 1.960 20 5 DDBDRO COCC1(C2CC2)C[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000871989769 707270890 /nfs/dbraw/zinc/27/08/90/707270890.db2.gz SCSXOQWBBVJOTF-OAHLLOKOSA-N 1 0 306.362 1.987 20 5 DDBDRO O=[N+]([O-])c1ccc(NC[C@H]2CCC[N@H+]2CCCO)c2nonc21 ZINC000828421133 706176245 /nfs/dbraw/zinc/17/62/45/706176245.db2.gz IXDFKAZKQDEQIT-SNVBAGLBSA-N 1 0 321.337 1.390 20 5 DDBDRO COC(=O)[C@@H]1OCC[C@@H]1C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000877726820 706191520 /nfs/dbraw/zinc/19/15/20/706191520.db2.gz IVKMRJZBOCFQGI-MWLCHTKSSA-N 1 0 300.336 1.324 20 5 DDBDRO COC(=O)[C@@H]1OCC[C@@H]1C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000877726805 706191626 /nfs/dbraw/zinc/19/16/26/706191626.db2.gz IBGULIPRLCMQNE-AVXNYWLKSA-N 1 0 320.345 1.776 20 5 DDBDRO Cn1nnnc1C1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000877781444 706209412 /nfs/dbraw/zinc/20/94/12/706209412.db2.gz HHUWKPKYARSWQX-UHFFFAOYSA-N 1 0 302.338 1.498 20 5 DDBDRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000864616940 706214515 /nfs/dbraw/zinc/21/45/15/706214515.db2.gz NZCGIHFTEANADW-GZMMTYOYSA-N 1 0 315.276 1.433 20 5 DDBDRO C[NH+]1CCC(NC(=O)CSc2ccc([N+](=O)[O-])cn2)CC1 ZINC000865360704 706413105 /nfs/dbraw/zinc/41/31/05/706413105.db2.gz IJYYQHCOUICTJA-UHFFFAOYSA-N 1 0 310.379 1.292 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@H](c2nccn2C)C1 ZINC000878518885 706414522 /nfs/dbraw/zinc/41/45/22/706414522.db2.gz VBSMKYTXPBZVOR-CYBMUJFWSA-N 1 0 318.381 1.713 20 5 DDBDRO COc1cc(C[NH2+][C@H]2[C@@H]3OC[C@@H]4C[C@H]2C[C@@H]43)c([N+](=O)[O-])cc1O ZINC000865691536 706497981 /nfs/dbraw/zinc/49/79/81/706497981.db2.gz BNJKIPJPABTPAJ-PJCPWUFQSA-N 1 0 320.345 1.822 20 5 DDBDRO COCCN(CC1CC[NH+](C)CC1)c1ccc([N+](=O)[O-])nc1 ZINC000865998156 706589286 /nfs/dbraw/zinc/58/92/86/706589286.db2.gz XIEWHXJMRMUIKG-UHFFFAOYSA-N 1 0 308.382 1.784 20 5 DDBDRO CC(C)(O)[C@@H]1CC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000880138963 706888459 /nfs/dbraw/zinc/88/84/59/706888459.db2.gz JGQOKTFDKRDWDK-TZMCWYRMSA-N 1 0 324.377 1.427 20 5 DDBDRO C[NH2+]C[C@@H]1CCN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000832638668 706954595 /nfs/dbraw/zinc/95/45/95/706954595.db2.gz FCNBXDMNEKYWFC-NSHDSACASA-N 1 0 317.349 1.012 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH+]2CCC3(CC2)COCCO3)cc1 ZINC000880545540 707012095 /nfs/dbraw/zinc/01/20/95/707012095.db2.gz DQERERNQVCCAHK-HNNXBMFYSA-N 1 0 322.361 1.510 20 5 DDBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC[C@H]1CNC(=O)C1 ZINC000926976366 712925409 /nfs/dbraw/zinc/92/54/09/712925409.db2.gz CFJKBMCQVKRXMT-WDEREUQCSA-N 1 0 309.341 1.781 20 5 DDBDRO O=C(N[C@H]1C[NH2+]CCC1(F)F)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000834840346 707135132 /nfs/dbraw/zinc/13/51/32/707135132.db2.gz CJPMFAILUCCFSX-JTQLQIEISA-N 1 0 319.695 1.975 20 5 DDBDRO C[C@H]([NH2+]CCN1CCC(O)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872078885 707288947 /nfs/dbraw/zinc/28/89/47/707288947.db2.gz UACHEWDQYLIHRK-NSHDSACASA-N 1 0 311.357 1.841 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]Cc2ccnc(F)c2)c1 ZINC000872223586 707336633 /nfs/dbraw/zinc/33/66/33/707336633.db2.gz UMBQYCBRTZEDCI-CYBMUJFWSA-N 1 0 321.308 1.658 20 5 DDBDRO Cn1nccc1[C@@H](O)C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000927133460 712945751 /nfs/dbraw/zinc/94/57/51/712945751.db2.gz YWJXCQRRHRXNMR-DOMZBBRYSA-N 1 0 302.334 1.639 20 5 DDBDRO CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC000882491639 707662572 /nfs/dbraw/zinc/66/25/72/707662572.db2.gz KDIDIKQXPHSANY-LBPRGKRZSA-N 1 0 307.350 1.736 20 5 DDBDRO Cc1c(C[NH2+]CC2(N3CCOCC3)CC2)cccc1[N+](=O)[O-] ZINC000873114934 707736084 /nfs/dbraw/zinc/73/60/84/707736084.db2.gz AYXMITSUTLIISZ-UHFFFAOYSA-N 1 0 305.378 1.858 20 5 DDBDRO [NH3+]CCN(CCOc1ccc([N+](=O)[O-])cc1)CC(F)(F)F ZINC000883445104 708003703 /nfs/dbraw/zinc/00/37/03/708003703.db2.gz HZBQVMFMKQMCGP-UHFFFAOYSA-N 1 0 307.272 1.797 20 5 DDBDRO CC[N@@H+]1CC[C@H]1CNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000883896428 708078088 /nfs/dbraw/zinc/07/80/88/708078088.db2.gz PDJDVDXFZOORNF-ZDUSSCGKSA-N 1 0 318.377 1.757 20 5 DDBDRO CC1(C)C[NH2+]C[C@@H]1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000884133959 708155152 /nfs/dbraw/zinc/15/51/52/708155152.db2.gz QHVKGPDUTAYWNT-CYBMUJFWSA-N 1 0 307.350 1.335 20 5 DDBDRO C[N@H+](CCO)CCNc1cc(Br)ccc1[N+](=O)[O-] ZINC000884824695 708388150 /nfs/dbraw/zinc/38/81/50/708388150.db2.gz IKPUJXGTXCZUOG-UHFFFAOYSA-N 1 0 318.171 1.693 20 5 DDBDRO COc1cc(C[NH2+][C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)c([N+](=O)[O-])cc1OC ZINC000897822602 708461365 /nfs/dbraw/zinc/46/13/65/708461365.db2.gz DSQNWRHVSZNXHP-GCCGGCASSA-N 1 0 320.345 1.877 20 5 DDBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N(C)CC[N@H+](C)CCO ZINC000912598582 713041862 /nfs/dbraw/zinc/04/18/62/713041862.db2.gz HFUOJWITXWUHSM-UHFFFAOYSA-N 1 0 313.329 1.038 20 5 DDBDRO C/C(=C\C(=O)N(C)CC[N@H+](C)CCO)c1ccc([N+](=O)[O-])cc1 ZINC000912605267 713045285 /nfs/dbraw/zinc/04/52/85/713045285.db2.gz LBKRBOFWQWUPJC-OUKQBFOZSA-N 1 0 321.377 1.381 20 5 DDBDRO O=[N+]([O-])c1ncccc1C[N@H+]1CC2(CCOCC2)CC[C@H]1CO ZINC000886297667 708738005 /nfs/dbraw/zinc/73/80/05/708738005.db2.gz XDYGBMJOSWHDMD-AWEZNQCLSA-N 1 0 321.377 1.743 20 5 DDBDRO CCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000886890552 708884422 /nfs/dbraw/zinc/88/44/22/708884422.db2.gz MCOXCJXUSGOGAG-NSHDSACASA-N 1 0 313.379 1.276 20 5 DDBDRO C[NH+](C)[C@@H]1C[C@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)C12CCC2 ZINC000898842742 708886760 /nfs/dbraw/zinc/88/67/60/708886760.db2.gz XQIYKDKPSNIHRX-QWHCGFSZSA-N 1 0 321.381 1.170 20 5 DDBDRO COC[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCCOC1 ZINC000886913863 708893077 /nfs/dbraw/zinc/89/30/77/708893077.db2.gz LLMLNQUHGKBYTE-VNQPRFMTSA-N 1 0 324.377 1.659 20 5 DDBDRO COc1c(O)ccc(CN2CC[N@H+](C)CC2(C)C)c1[N+](=O)[O-] ZINC000892056067 710362373 /nfs/dbraw/zinc/36/23/73/710362373.db2.gz NPVQCJORULDFNV-UHFFFAOYSA-N 1 0 309.366 1.835 20 5 DDBDRO Cc1ccc(CNC(=O)N[C@@H]2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000892083990 710368524 /nfs/dbraw/zinc/36/85/24/710368524.db2.gz XZSNUVPSTGAEIB-CYBMUJFWSA-N 1 0 306.366 1.845 20 5 DDBDRO C[NH2+]C[C@@H]1CCCN1C(=O)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000892537036 710454086 /nfs/dbraw/zinc/45/40/86/710454086.db2.gz NKJMGIJQXMLWGN-ZDUSSCGKSA-N 1 0 306.366 1.797 20 5 DDBDRO COc1ccc(C(=O)N[C@]2(C)C[NH+]3CCC2CC3)cc1[N+](=O)[O-] ZINC000892800264 710502271 /nfs/dbraw/zinc/50/22/71/710502271.db2.gz NMGFYFPQXJRYDL-MRXNPFEDSA-N 1 0 319.361 1.818 20 5 DDBDRO C[NH+]1C[C@]2(C)CN(C(=O)Cc3cccc([N+](=O)[O-])c3)C[C@@]2(C)C1 ZINC000913281854 713190654 /nfs/dbraw/zinc/19/06/54/713190654.db2.gz CTYONBHRGVJKLS-IAGOWNOFSA-N 1 0 317.389 1.938 20 5 DDBDRO Cc1nn(CCC(=O)N[C@H]2CC[N@H+](C)[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000928448251 713201265 /nfs/dbraw/zinc/20/12/65/713201265.db2.gz NDLDEHRKIAFMMD-PWSUYJOCSA-N 1 0 309.370 1.007 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1OC(=O)COC1CC[NH+](C)CC1 ZINC000902680222 710858928 /nfs/dbraw/zinc/85/89/28/710858928.db2.gz JNHZWVAYTKVKAP-UHFFFAOYSA-N 1 0 308.334 1.919 20 5 DDBDRO COc1cc([N+](=O)[O-])cnc1NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000894077870 710954227 /nfs/dbraw/zinc/95/42/27/710954227.db2.gz VZYWLAIJTGDCMP-TXEJJXNPSA-N 1 0 308.338 1.274 20 5 DDBDRO COc1c(O)ccc(CN2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c1[N+](=O)[O-] ZINC000894082801 710957571 /nfs/dbraw/zinc/95/75/71/710957571.db2.gz IJMZSSJXXBZCNA-TXEJJXNPSA-N 1 0 307.350 1.302 20 5 DDBDRO COc1cc([C@@H](C)[NH2+]CCN2CCO[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000903090394 711029357 /nfs/dbraw/zinc/02/93/57/711029357.db2.gz ABFQZIFQZAACOO-QWHCGFSZSA-N 1 0 323.393 1.975 20 5 DDBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1COC[C@H]1C ZINC000903399750 711114691 /nfs/dbraw/zinc/11/46/91/711114691.db2.gz JIRJZGYPYBTWIN-GYSYKLTISA-N 1 0 307.350 1.936 20 5 DDBDRO C[C@@H]1C[NH2+]C[C@H]1CC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000912112972 711178011 /nfs/dbraw/zinc/17/80/11/711178011.db2.gz JWFSUFDYFXXKOF-VXGBXAGGSA-N 1 0 306.366 1.369 20 5 DDBDRO [NH3+][C@H](CC(F)F)CN1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000903872855 711311224 /nfs/dbraw/zinc/31/12/24/711311224.db2.gz KGSDMJHTYNOKNE-LLVKDONJSA-N 1 0 314.336 1.699 20 5 DDBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@@H]1CCc2nnnn2CC1 ZINC000894986728 711351640 /nfs/dbraw/zinc/35/16/40/711351640.db2.gz KNOYJTNSBOVJHL-LLVKDONJSA-N 1 0 322.756 1.729 20 5 DDBDRO O=[N+]([O-])c1cnc2ccc(F)cc2c1NC[C@H]1CSCC[NH2+]1 ZINC000895125940 711426646 /nfs/dbraw/zinc/42/66/46/711426646.db2.gz WMBYEFJEWRHJDO-JTQLQIEISA-N 1 0 322.365 1.821 20 5 DDBDRO C[C@@H]1[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCN1C ZINC000896555082 711749830 /nfs/dbraw/zinc/74/98/30/711749830.db2.gz YAUGWCQSIHOSGP-IUODEOHRSA-N 1 0 319.409 1.641 20 5 DDBDRO C[C@@H]1CN(c2ccc(C[NH2+]CC[N+](=O)[O-])cc2F)C[C@@H](C)O1 ZINC000905055721 711922200 /nfs/dbraw/zinc/92/22/00/711922200.db2.gz REDWCJSUGZNOFT-VXGBXAGGSA-N 1 0 311.357 1.806 20 5 DDBDRO O=[N+]([O-])CC[NH2+]C[C@H](O)COc1ccccc1Br ZINC000905365641 712016636 /nfs/dbraw/zinc/01/66/36/712016636.db2.gz CKFPDXWUZVPKDK-VIFPVBQESA-N 1 0 319.155 1.055 20 5 DDBDRO COC[C@H]1C[C@@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000905430741 712035967 /nfs/dbraw/zinc/03/59/67/712035967.db2.gz PBGWJZHOMWPEJH-SCRDCRAPSA-N 1 0 310.350 1.349 20 5 DDBDRO C[C@@H]1[C@@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CCN1C ZINC000905541098 712071527 /nfs/dbraw/zinc/07/15/27/712071527.db2.gz BITNKPXWGXHKHJ-NEPJUHHUSA-N 1 0 306.366 1.606 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@H]2C[C@@H]3COC[C@@H]3O2)c1 ZINC000905570610 712081329 /nfs/dbraw/zinc/08/13/29/712081329.db2.gz DKFZHGLZGIONOK-NGFQHRJXSA-N 1 0 308.334 1.022 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCOC2CCOCC2)c1 ZINC000905609789 712094119 /nfs/dbraw/zinc/09/41/19/712094119.db2.gz PPFCPQHOHSXWTO-HNNXBMFYSA-N 1 0 310.350 1.413 20 5 DDBDRO C[C@H](C[NH2+]C[C@@H](O)Cn1cccn1)c1ccccc1[N+](=O)[O-] ZINC000905643419 712105122 /nfs/dbraw/zinc/10/51/22/712105122.db2.gz LUNUJHHLGGLWIK-CHWSQXEVSA-N 1 0 304.350 1.546 20 5 DDBDRO C[N@@H+]1CCC[C@@H]1Cn1nc(-c2ccccc2[N+](=O)[O-])oc1=O ZINC000917605651 713506356 /nfs/dbraw/zinc/50/63/56/713506356.db2.gz IDPRGSNBKIORPI-SNVBAGLBSA-N 1 0 304.306 1.506 20 5 DDBDRO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](CC[N+](=O)[O-])C1 ZINC000930032439 713739932 /nfs/dbraw/zinc/73/99/32/713739932.db2.gz QMTPTTGFHXABAF-VXGBXAGGSA-N 1 0 301.387 1.888 20 5 DDBDRO C[C@@H]1CC[C@@H](C(N)=O)[C@H](C)[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000930916135 713958215 /nfs/dbraw/zinc/95/82/15/713958215.db2.gz NJSYFAHHVAZXLF-TYNCELHUSA-N 1 0 321.377 1.948 20 5 DDBDRO C[C@H]1[C@H]([NH+](C)C)CCN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000931044511 713989639 /nfs/dbraw/zinc/98/96/39/713989639.db2.gz NNODNCYMAIEMTG-SWLSCSKDSA-N 1 0 320.393 1.948 20 5 DDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@H]([NH+](C)C)[C@H]1C ZINC000931047113 713990520 /nfs/dbraw/zinc/99/05/20/713990520.db2.gz XPXHTXONMTUPQS-JMSVASOKSA-N 1 0 320.393 1.946 20 5 DDBDRO C[C@H]1CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)Cc2c[nH]nc21 ZINC000931459849 714102812 /nfs/dbraw/zinc/10/28/12/714102812.db2.gz BEZZIGKDRYGVHU-HZMBPMFUSA-N 1 0 302.334 1.971 20 5 DDBDRO C[C@@H]([NH2+]CC(=O)N1C[C@H](C)O[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000932181808 714280807 /nfs/dbraw/zinc/28/08/07/714280807.db2.gz DQKPUIVHKRCHSJ-RWMBFGLXSA-N 1 0 321.377 1.881 20 5 DDBDRO CCC[C@@H]1C[NH2+]CCN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000923330314 714317097 /nfs/dbraw/zinc/31/70/97/714317097.db2.gz BXFQPMJWRRXXIM-ZIAGYGMSSA-N 1 0 323.393 1.408 20 5 DDBDRO COC(C)(C)[C@@H](C)[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000932368743 714318838 /nfs/dbraw/zinc/31/88/38/714318838.db2.gz AJGLSZNLLFCQHD-LLVKDONJSA-N 1 0 321.377 1.887 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC[C@]3(CCC[NH2+]3)C2)c1 ZINC000923380662 714335219 /nfs/dbraw/zinc/33/52/19/714335219.db2.gz QQWMXRCNFIYSAG-GDBMZVCRSA-N 1 0 321.377 1.162 20 5 DDBDRO [NH3+]CC[C@H]1CN(CCn2cc([N+](=O)[O-])cn2)c2ccccc21 ZINC000923555076 714400448 /nfs/dbraw/zinc/40/04/48/714400448.db2.gz MZNVDAWAYFAXMV-LBPRGKRZSA-N 1 0 301.350 1.744 20 5 DDBDRO C[NH+]1CCC(OCC(=O)OCc2ccccc2[N+](=O)[O-])CC1 ZINC000923787484 714470408 /nfs/dbraw/zinc/47/04/08/714470408.db2.gz LNBLQCFCBKNWBZ-UHFFFAOYSA-N 1 0 308.334 1.749 20 5 DDBDRO Cc1ccc(CNC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000923910120 714488245 /nfs/dbraw/zinc/48/82/45/714488245.db2.gz JLDIKBRDZCQZHY-DGCLKSJQSA-N 1 0 306.366 1.795 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@@H](C3CCOCC3)C2)n1 ZINC000933080067 714513328 /nfs/dbraw/zinc/51/33/28/714513328.db2.gz TVUDACMCZPHONK-CQSZACIVSA-N 1 0 308.382 1.930 20 5 DDBDRO CC(C)(CCc1noc([C@@H]2C[N@@H+]3CCC[C@H]3CO2)n1)[N+](=O)[O-] ZINC000924079309 714522066 /nfs/dbraw/zinc/52/20/66/714522066.db2.gz UPRLWAYAHFVBOW-QWRGUYRKSA-N 1 0 310.354 1.593 20 5 DDBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Cn2c(C)ncc2[N+](=O)[O-])C1 ZINC000933779685 714669895 /nfs/dbraw/zinc/66/98/95/714669895.db2.gz PRHLHTOMOUSNOY-ZDUSSCGKSA-N 1 0 323.397 1.290 20 5 DDBDRO CCOc1cc(C[NH2+][C@@H]2COCC[C@H]2OC)ccc1[N+](=O)[O-] ZINC000934034331 714727152 /nfs/dbraw/zinc/72/71/52/714727152.db2.gz CXCVHASGDPECKQ-TZMCWYRMSA-N 1 0 310.350 1.887 20 5 DDBDRO C[C@H](c1ccc([N+](=O)[O-])cc1)N1C(=O)N[C@H](C[NH+](C)C)C1=O ZINC000925198596 714773745 /nfs/dbraw/zinc/77/37/45/714773745.db2.gz VTEBIXBOFNECRJ-BXKDBHETSA-N 1 0 306.322 1.138 20 5 DDBDRO O=[N+]([O-])c1ccc(CN2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)c(F)c1 ZINC000934257582 714777172 /nfs/dbraw/zinc/77/71/72/714777172.db2.gz AMTVHBOVCKWFIH-JKSUJKDBSA-N 1 0 323.368 1.765 20 5 DDBDRO CC(C)C[NH+]1CCN(c2cc([N+](=O)[O-])cc(Cl)[n+]2[O-])CC1 ZINC001164654698 719334896 /nfs/dbraw/zinc/33/48/96/719334896.db2.gz UPUQWVIUGIAVJN-UHFFFAOYSA-N 1 0 314.773 1.660 20 5 DDBDRO Nc1cc(N2CC3(C2)CC[N@H+](CC2CC2)C3)ncc1[N+](=O)[O-] ZINC001164773635 721291314 /nfs/dbraw/zinc/29/13/14/721291314.db2.gz SJWQWQQGKYPKDA-UHFFFAOYSA-N 1 0 303.366 1.494 20 5 DDBDRO C[NH2+]Cc1c(C)nn(-c2c(Cl)[n+]([O-])ccc2[N+](=O)[O-])c1C ZINC001167099478 732613187 /nfs/dbraw/zinc/61/31/87/732613187.db2.gz XXPNNHYMDUVBJK-UHFFFAOYSA-N 1 0 311.729 1.404 20 5 DDBDRO Cc1cccnc1C(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001125424419 733290066 /nfs/dbraw/zinc/29/00/66/733290066.db2.gz HJLBTRWEOLJTET-UHFFFAOYSA-N 1 0 314.345 1.818 20 5 DDBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccnc(Cl)c2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001022063747 734368133 /nfs/dbraw/zinc/36/81/33/734368133.db2.gz LCCRMVDPWWDFJC-WRWGMCAJSA-N 1 0 324.768 1.137 20 5 DDBDRO CC(C)(C)OCC(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001125951446 737911873 /nfs/dbraw/zinc/91/18/73/737911873.db2.gz PVRPKFCNIKNKBQ-UHFFFAOYSA-N 1 0 315.395 1.677 20 5 DDBDRO COc1cc(C(=O)N2C[C@H]3CC[N@H+](C)[C@H]3C2)cc([N+](=O)[O-])c1C ZINC001129186402 751564715 /nfs/dbraw/zinc/56/47/15/751564715.db2.gz WNAXXCHLRWVNTJ-RISCZKNCSA-N 1 0 319.361 1.688 20 5 DDBDRO CN(CCN(C)c1ccc([N+](=O)[O-])cn1)C(=O)CCC[NH+](C)C ZINC001105539068 742108274 /nfs/dbraw/zinc/10/82/74/742108274.db2.gz STGCRRXEOJMEBN-UHFFFAOYSA-N 1 0 323.397 1.226 20 5 DDBDRO C[C@H]1COCC[N@@H+]1C1CCN(c2nn(C)cc2[N+](=O)[O-])CC1 ZINC001186881359 744458507 /nfs/dbraw/zinc/45/85/07/744458507.db2.gz NZKVDOUEJNUZSI-NSHDSACASA-N 1 0 309.370 1.018 20 5 DDBDRO O=C(NCC[C@H]1CSCC[NH2+]1)c1cc(F)cc([N+](=O)[O-])c1 ZINC001122000356 745011177 /nfs/dbraw/zinc/01/11/77/745011177.db2.gz DUSBWRWLOUWXJD-NSHDSACASA-N 1 0 313.354 1.559 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1Cc2cncn2C1 ZINC001197823089 747290367 /nfs/dbraw/zinc/29/03/67/747290367.db2.gz DMTYTJPWKKVBND-JTQLQIEISA-N 1 0 301.306 1.846 20 5 DDBDRO Cc1c(NC(=[NH2+])N2CCN(C)CC2)ccc([N+](=O)[O-])c1[N+](=O)[O-] ZINC001168736467 748464785 /nfs/dbraw/zinc/46/47/85/748464785.db2.gz HKVMBZNAFGADQC-UHFFFAOYSA-N 1 0 322.325 1.405 20 5 DDBDRO Cc1ncn(-c2cc([N+](=O)[O-])c(C)cn2)c1CSCC[NH3+] ZINC001168790389 761959835 /nfs/dbraw/zinc/95/98/35/761959835.db2.gz JFTOLLILOVOLPY-UHFFFAOYSA-N 1 0 307.379 1.984 20 5 DDBDRO Cc1nc(C[NH2+]C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cs1 ZINC000996439032 749573952 /nfs/dbraw/zinc/57/39/52/749573952.db2.gz AOJRNNHZSISQPV-CHWSQXEVSA-N 1 0 324.406 1.197 20 5 DDBDRO COC(=O)Cc1ccc(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)cc1 ZINC001168977010 762147149 /nfs/dbraw/zinc/14/71/49/762147149.db2.gz GRYQQBLQDLRUNS-GJZGRUSLSA-N 1 0 306.362 1.937 20 5 DDBDRO CCOc1ccc([C@@H](CO)[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)cn1 ZINC001168961688 762156242 /nfs/dbraw/zinc/15/62/42/762156242.db2.gz JQHIDOGZZRBOAJ-FPMFFAJLSA-N 1 0 309.366 1.549 20 5 DDBDRO O=C(c1ccco1)N1C[C@@H]2C[C@]2([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168964154 762157520 /nfs/dbraw/zinc/15/75/20/762157520.db2.gz RDHAJNZGBYERCS-DVZHBHJUSA-N 1 0 319.361 1.529 20 5 DDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2cnn(CC(F)(F)F)c2)C1 ZINC001168993628 762167012 /nfs/dbraw/zinc/16/70/12/762167012.db2.gz NUYLFCUSWVPIFU-GXSJLCMTSA-N 1 0 306.288 1.980 20 5 DDBDRO CC(C)(C)OC(=O)N1CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169006941 762175012 /nfs/dbraw/zinc/17/50/12/762175012.db2.gz KKRMMQRDUFVXAD-OLZOCXBDSA-N 1 0 313.398 1.985 20 5 DDBDRO CCOC[C@@H]1CN([C@H]2CC[C@@H](C[N+](=O)[O-])C2)Cc2ncn(C)c21 ZINC001169017585 762197709 /nfs/dbraw/zinc/19/77/09/762197709.db2.gz AQTYZTMBLRVMQE-RDBSUJKOSA-N 1 0 322.409 1.801 20 5 DDBDRO CCc1n[nH]c(C(=O)N2C[C@@]3(C)C[NH+](C)C[C@]3(C)C2)c1[N+](=O)[O-] ZINC000823484734 758319026 /nfs/dbraw/zinc/31/90/26/758319026.db2.gz SFZZBUBMNIXGRJ-HUUCEWRRSA-N 1 0 321.381 1.294 20 5 DDBDRO C[C@@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000823693110 758343994 /nfs/dbraw/zinc/34/39/94/758343994.db2.gz ZBGVVTRUEWHCJU-CHWSQXEVSA-N 1 0 323.397 1.513 20 5 DDBDRO C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1F)[C@@H]1C[N@H+](C)CCN1C ZINC000829037763 759863838 /nfs/dbraw/zinc/86/38/38/759863838.db2.gz MIXZTHJYWZHKFB-HZMBPMFUSA-N 1 0 324.356 1.098 20 5 DDBDRO Cc1ocnc1C(=O)NCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001155324236 761047706 /nfs/dbraw/zinc/04/77/06/761047706.db2.gz LQXZJGHENOBHHW-UHFFFAOYSA-N 1 0 324.362 1.862 20 5 DDBDRO Cc1cnc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)s1 ZINC001086363446 761493227 /nfs/dbraw/zinc/49/32/27/761493227.db2.gz VCLQPLJKFNVJIF-DDHJBXDOSA-N 1 0 324.406 1.101 20 5 DDBDRO COc1ccc(C[C@@H](C)[NH2+]C[C@H]2CCNC(=O)C2)c([N+](=O)[O-])c1 ZINC001170299759 766228629 /nfs/dbraw/zinc/22/86/29/766228629.db2.gz WLWONTQNMPIPMX-NEPJUHHUSA-N 1 0 321.377 1.650 20 5 DDBDRO COc1ccc(C[C@H](C)[NH2+][C@@H]2CCCC(=O)NC2)c([N+](=O)[O-])c1 ZINC001170305843 766231080 /nfs/dbraw/zinc/23/10/80/766231080.db2.gz QPFSRAWVAGNYHH-WCQYABFASA-N 1 0 321.377 1.793 20 5 DDBDRO COc1ccc(C[C@@H](C)[NH2+][C@H]2CCNC(=O)C2)c([N+](=O)[O-])c1 ZINC001170309413 766259580 /nfs/dbraw/zinc/25/95/80/766259580.db2.gz QGVCKRWBLQTFCB-PWSUYJOCSA-N 1 0 307.350 1.403 20 5 DDBDRO COc1ccc(C[C@@H](C)[N@H+]2CCC(=O)N(C)CC2)c([N+](=O)[O-])c1 ZINC001170347576 766278094 /nfs/dbraw/zinc/27/80/94/766278094.db2.gz RZWVFLNUKQKILS-GFCCVEGCSA-N 1 0 321.377 1.699 20 5 DDBDRO Cc1cncn1CC(=O)Oc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC001130849250 767764298 /nfs/dbraw/zinc/76/42/98/767764298.db2.gz ACFAKFZLHQEGHY-UHFFFAOYSA-N 1 0 306.234 1.614 20 5 DDBDRO Cc1cnn(C)c1C(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001132548598 768974954 /nfs/dbraw/zinc/97/49/54/768974954.db2.gz PDUNPLOKMWTWLZ-UHFFFAOYSA-N 1 0 317.349 1.156 20 5 DDBDRO O=[N+]([O-])c1cccc(-c2ccc(N[C@@H]3C[NH2+]C[C@@H]3CO)nn2)c1 ZINC001170776542 771209667 /nfs/dbraw/zinc/20/96/67/771209667.db2.gz GNDWQXFLDWBRRL-BXUZGUMPSA-N 1 0 315.333 1.044 20 5 DDBDRO C[NH+](C)CCCC(=O)N[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001097091807 771620409 /nfs/dbraw/zinc/62/04/09/771620409.db2.gz XKGPYKJXDAOXQP-HDJSIYSDSA-N 1 0 320.393 1.996 20 5 DDBDRO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1nc(Cl)ccc1[N+](=O)[O-] ZINC001170871699 771792361 /nfs/dbraw/zinc/79/23/61/771792361.db2.gz IXFILPIGHREGPS-HTQZYQBOSA-N 1 0 314.729 1.206 20 5 DDBDRO O=[N+]([O-])c1cc[n+]([O-])c(N[C@@H]2CC[NH2+]C[C@@H]2C(F)(F)F)c1 ZINC001160739663 772687301 /nfs/dbraw/zinc/68/73/01/772687301.db2.gz XPCCMULLYCNVJL-DTWKUNHWSA-N 1 0 306.244 1.181 20 5 DDBDRO C[NH+](C)CCCCC(=O)NCCNc1ccc([N+](=O)[O-])cn1 ZINC001093764309 775063588 /nfs/dbraw/zinc/06/35/88/775063588.db2.gz DTDMSTXHFRVCQR-UHFFFAOYSA-N 1 0 309.370 1.250 20 5 DDBDRO CC[N@H+](C)C(C)(C)C(=O)NCCNc1ncc(C)cc1[N+](=O)[O-] ZINC001093952873 775260395 /nfs/dbraw/zinc/26/03/95/775260395.db2.gz OXWPLZJAVZTEST-UHFFFAOYSA-N 1 0 323.397 1.557 20 5 DDBDRO Cc1n[nH]c(C(=O)NC2CCC(C)([NH+](C)C)CC2)c1[N+](=O)[O-] ZINC001171934866 776536895 /nfs/dbraw/zinc/53/68/95/776536895.db2.gz UQODPTQKYFYWHG-UHFFFAOYSA-N 1 0 309.370 1.619 20 5 DDBDRO O=C1NC[C@@H](C[NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)O1 ZINC001172909223 776925460 /nfs/dbraw/zinc/92/54/60/776925460.db2.gz RBLIVRLKEGVZNA-TZMCWYRMSA-N 1 0 305.334 1.540 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@H]1CCS(=O)(=O)C1)CC2 ZINC001172896309 776929135 /nfs/dbraw/zinc/92/91/35/776929135.db2.gz NWZAOTIEDXVLOB-KGLIPLIRSA-N 1 0 324.402 1.619 20 5 DDBDRO CCOC(=O)CC1([NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)COC1 ZINC001173218940 777050775 /nfs/dbraw/zinc/05/07/75/777050775.db2.gz UDWKKEOZTHTBID-GFCCVEGCSA-N 1 0 322.361 1.838 20 5 DDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)CC(=O)N1CCOCC1 ZINC001173228941 777062613 /nfs/dbraw/zinc/06/26/13/777062613.db2.gz OEOMBOWKGFHWOD-CYBMUJFWSA-N 1 0 321.377 1.316 20 5 DDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1CCN(C2COC2)CC1 ZINC001173234924 777064611 /nfs/dbraw/zinc/06/46/11/777064611.db2.gz QUTRJSCPQJKLGI-CYBMUJFWSA-N 1 0 319.405 1.979 20 5 DDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1CCS(=O)(=O)CC1 ZINC001173212981 777067413 /nfs/dbraw/zinc/06/74/13/777067413.db2.gz DWQUAFCZCKGBTC-LLVKDONJSA-N 1 0 312.391 1.693 20 5 DDBDRO CNc1c(C(=O)NC[C@H]2C[NH+]3CCC2CC3)cccc1[N+](=O)[O-] ZINC001179899888 779524129 /nfs/dbraw/zinc/52/41/29/779524129.db2.gz NFGXIZWVYDLKIW-LBPRGKRZSA-N 1 0 318.377 1.708 20 5 DDBDRO O=C(N[C@@H]1CCC[NH2+]CC1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001118032311 780997082 /nfs/dbraw/zinc/99/70/82/780997082.db2.gz LHGTWKWKSYCKGO-CYBMUJFWSA-N 1 0 304.350 1.762 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC001119304678 781399501 /nfs/dbraw/zinc/39/95/01/781399501.db2.gz RYJIFXHQDNICGI-KWCYVHTRSA-N 1 0 318.377 1.805 20 5 DDBDRO CCC[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1cccc(F)c1 ZINC001266560707 836470357 /nfs/dbraw/zinc/47/03/57/836470357.db2.gz TYYOVWVAFOWARY-HUUCEWRRSA-N 1 0 323.368 1.819 20 5 DDBDRO Cc1nocc1C(=O)N(C)CC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001266824570 836889063 /nfs/dbraw/zinc/88/90/63/836889063.db2.gz IZISLAFDKAIPBR-UHFFFAOYSA-N 1 0 318.333 1.753 20 5 DDBDRO CN(CC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)C(F)F ZINC001268230587 839863096 /nfs/dbraw/zinc/86/30/96/839863096.db2.gz ZOEYXMMAMKCDMN-UHFFFAOYSA-N 1 0 301.293 1.750 20 5 DDBDRO Cc1cc(C(=O)NCCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)on1 ZINC001154554843 861208850 /nfs/dbraw/zinc/20/88/50/861208850.db2.gz IXGNUTOGOHGXLT-UHFFFAOYSA-N 1 0 318.333 1.801 20 5 DDBDRO Cc1cc(Cl)nc(N[C@@H](C)CN2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001154748775 861421188 /nfs/dbraw/zinc/42/11/88/861421188.db2.gz OFYZSLJMYYFKLX-JTQLQIEISA-N 1 0 313.789 1.657 20 5 DDBDRO CC[NH+](CC)C1CCN(C(=O)c2ccnc(N)c2[N+](=O)[O-])CC1 ZINC001326743798 861585502 /nfs/dbraw/zinc/58/55/02/861585502.db2.gz OLHKOZGKGLIECN-UHFFFAOYSA-N 1 0 321.381 1.518 20 5 DDBDRO C[NH+](C)C[C@H]1COCCN1c1nccc2ccc([N+](=O)[O-])cc21 ZINC001154977732 861616805 /nfs/dbraw/zinc/61/68/05/861616805.db2.gz NXSHZBMAMYYUNZ-AWEZNQCLSA-N 1 0 316.361 1.910 20 5 DDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC001326831867 861642198 /nfs/dbraw/zinc/64/21/98/861642198.db2.gz BUPRVMHNCAXOBH-MNOVXSKESA-N 1 0 306.366 1.836 20 5 DDBDRO O=[N+]([O-])c1c(N[C@@H]2CCCC[C@H]2F)ncnc1N1CC[NH2+]CC1 ZINC001155059987 861691519 /nfs/dbraw/zinc/69/15/19/861691519.db2.gz VJTGYLSFOKFXJL-GHMZBOCLSA-N 1 0 324.360 1.487 20 5 DDBDRO O=[N+]([O-])c1ccc2ccnc(N[C@H]3COCCC34C[NH2+]C4)c2c1 ZINC001155467000 862116260 /nfs/dbraw/zinc/11/62/60/862116260.db2.gz ADXALXLHWHHIPX-AWEZNQCLSA-N 1 0 314.345 1.933 20 5 DDBDRO COc1cc(NC[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)ncc1[N+](=O)[O-] ZINC001155601563 862279083 /nfs/dbraw/zinc/27/90/83/862279083.db2.gz ZRMRHIQWLFBUGF-XHDPSFHLSA-N 1 0 322.365 1.569 20 5 DDBDRO CC(=O)NC1(CO)CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001274885556 852657892 /nfs/dbraw/zinc/65/78/92/852657892.db2.gz NDNPOXOVLVURNX-UHFFFAOYSA-N 1 0 307.350 1.058 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(C)cc1-c1noc(C[C@@H]2COCC[NH2+]2)n1 ZINC001328042765 862656239 /nfs/dbraw/zinc/65/62/39/862656239.db2.gz YQKFXUMUPFAAAB-LLVKDONJSA-N 1 0 318.333 1.793 20 5 DDBDRO COc1cnc(NCC2([NH+](C)C)CCN(C)CC2)c([N+](=O)[O-])c1 ZINC001156181484 862787355 /nfs/dbraw/zinc/78/73/55/862787355.db2.gz CXISZOQVXIAKBR-UHFFFAOYSA-N 1 0 323.397 1.436 20 5 DDBDRO C[NH2+]C[C@@H](O)CN(C)C(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC001122101182 858686212 /nfs/dbraw/zinc/68/62/12/858686212.db2.gz XYIWGZBWQZCRLG-GFCCVEGCSA-N 1 0 309.366 1.172 20 5 DDBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC001122210380 858715658 /nfs/dbraw/zinc/71/56/58/858715658.db2.gz JEZBQYNQNRFBOX-GIPNMCIBSA-N 1 0 309.391 1.881 20 5 DDBDRO CNc1ccc(C(=O)N2CCCC[C@H]2C[NH2+]C)cc1[N+](=O)[O-] ZINC001122239328 858723356 /nfs/dbraw/zinc/72/33/56/858723356.db2.gz JFODWVGWKGZPCU-LBPRGKRZSA-N 1 0 306.366 1.851 20 5 DDBDRO CC(C)(C)OC(=O)N1CCOC[C@@H](OCCC[N+](C)(C)C)C1 ZINC001224619840 881473703 /nfs/dbraw/zinc/47/37/03/881473703.db2.gz SJJORFQQQXNDDN-AWEZNQCLSA-N 1 0 317.450 1.735 20 5 DDBDRO CC(C)(C)OC(=O)N1CCO[C@@H](COCC[N+](C)(C)C)C1 ZINC001224771357 881526890 /nfs/dbraw/zinc/52/68/90/881526890.db2.gz LBIBMSBESRWGQW-CYBMUJFWSA-N 1 0 303.423 1.345 20 5 DDBDRO CS(=O)(=O)c1ccc(C[NH2+]CCc2cccc([N+](=O)[O-])c2)o1 ZINC001326045497 861064752 /nfs/dbraw/zinc/06/47/52/861064752.db2.gz HRDCCPCXWPEWIZ-UHFFFAOYSA-N 1 0 324.358 1.924 20 5 DDBDRO Cc1occc1C(=O)NCCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001154474970 861131612 /nfs/dbraw/zinc/13/16/12/861131612.db2.gz VPWOZWCSRQWZJP-UHFFFAOYSA-N 1 0 321.337 1.139 20 5 DDBDRO CCOc1nc(NC2(C(=O)OC)CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC001156535422 863129215 /nfs/dbraw/zinc/12/92/15/863129215.db2.gz FDLRAFUDTCWMIR-UHFFFAOYSA-N 1 0 324.337 1.096 20 5 DDBDRO C[C@H](Nc1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1)c1ccc(F)cn1 ZINC001156681562 863258216 /nfs/dbraw/zinc/25/82/16/863258216.db2.gz OMSPVPKPDCIYQT-QMMMGPOBSA-N 1 0 318.312 1.779 20 5 DDBDRO CCc1ccc(S(=O)(=O)NCC[C@@H](C)[NH2+]C)cc1[N+](=O)[O-] ZINC001329414756 863654653 /nfs/dbraw/zinc/65/46/53/863654653.db2.gz PJOQASNLNGDQSR-SNVBAGLBSA-N 1 0 315.395 1.434 20 5 DDBDRO Cc1nc(N(c2cnccn2)C2CC[NH2+]CC2)ncc1[N+](=O)[O-] ZINC001157543097 863903137 /nfs/dbraw/zinc/90/31/37/863903137.db2.gz FSKXHIFQSXPJCG-UHFFFAOYSA-N 1 0 315.337 1.373 20 5 DDBDRO CCC[N@H+]1C[C@H]2CN(c3ncc([N+](=O)[O-])cc3[N+](=O)[O-])C[C@H]2C1 ZINC001157691011 864050726 /nfs/dbraw/zinc/05/07/26/864050726.db2.gz NJUMNMCTVBXSDF-PHIMTYICSA-N 1 0 321.337 1.676 20 5 DDBDRO C[C@H]1[C@H]([NH3+])CCCN1c1cc(/C=C/N(C)C)c([N+](=O)[O-])cn1 ZINC001157747579 864100290 /nfs/dbraw/zinc/10/02/90/864100290.db2.gz UZYRYOBBGFYMPA-JHLBCPEASA-N 1 0 305.382 1.838 20 5 DDBDRO [NH3+][C@H]1CCc2nn(-c3ncnc4cccc([N+](=O)[O-])c43)cc2C1 ZINC001157986745 864332590 /nfs/dbraw/zinc/33/25/90/864332590.db2.gz DTRCZWSACDEBIZ-JTQLQIEISA-N 1 0 310.317 1.540 20 5 DDBDRO COc1nc(C)c([N+](=O)[O-])c(N(CC[NH3+])c2cccnc2)n1 ZINC001158001220 864346465 /nfs/dbraw/zinc/34/64/65/864346465.db2.gz WEYVUHWQHDWTQD-UHFFFAOYSA-N 1 0 304.310 1.194 20 5 DDBDRO Cc1ccnc(-n2nnc(-c3cccc(C[NH3+])c3)n2)c1[N+](=O)[O-] ZINC001158042449 864384899 /nfs/dbraw/zinc/38/48/99/864384899.db2.gz ATIOUSQNKIDCBU-UHFFFAOYSA-N 1 0 311.305 1.400 20 5 DDBDRO CSc1nc(Cl)c([N+](=O)[O-])c(-n2c(C)cnc2C[NH3+])n1 ZINC001158163498 864464135 /nfs/dbraw/zinc/46/41/35/864464135.db2.gz VSWBSMVDKBDITO-UHFFFAOYSA-N 1 0 314.758 1.713 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2C[NH+]3CCC2CC3)c1 ZINC001158261807 864524642 /nfs/dbraw/zinc/52/46/42/864524642.db2.gz POZOCXRQMZGJCL-GFCCVEGCSA-N 1 0 319.361 1.675 20 5 DDBDRO CC[N@@H+]1CCN(c2nc(OC)nc(C)c2[N+](=O)[O-])C(C)(C)C1 ZINC001158562387 864728956 /nfs/dbraw/zinc/72/89/56/864728956.db2.gz AOPAQXMHJDSPRL-UHFFFAOYSA-N 1 0 309.370 1.622 20 5 DDBDRO Cc1cc(Cl)c([N+](=O)[O-])c(NCCOCCOCC[NH3+])n1 ZINC001159444254 865298967 /nfs/dbraw/zinc/29/89/67/865298967.db2.gz BSKNDOWQVOMRRB-UHFFFAOYSA-N 1 0 318.761 1.355 20 5 DDBDRO C[C@H](Nc1ccc2ccc([N+](=O)[O-])cc2n1)[C@H]1C[NH2+]CCO1 ZINC001159499812 865354349 /nfs/dbraw/zinc/35/43/49/865354349.db2.gz VRFXRLTYBSYQKR-IINYFYTJSA-N 1 0 302.334 1.932 20 5 DDBDRO C[C@H](Nc1ccc2c(cccc2[N+](=O)[O-])n1)[C@@H]1C[NH2+]CCO1 ZINC001159500677 865356871 /nfs/dbraw/zinc/35/68/71/865356871.db2.gz XBXPAYNVFKJOAW-HZMBPMFUSA-N 1 0 302.334 1.932 20 5 DDBDRO Cc1cc(N[C@@H]2C[NH2+]C[C@H]2CO)nc2ccc([N+](=O)[O-])cc12 ZINC001159671298 865459149 /nfs/dbraw/zinc/45/91/49/865459149.db2.gz JFNQCZMYIUJROT-IINYFYTJSA-N 1 0 302.334 1.444 20 5 DDBDRO Cc1cccc(C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)c1[N+](=O)[O-] ZINC001332109890 865584083 /nfs/dbraw/zinc/58/40/83/865584083.db2.gz DCBBCJMAECLCOK-JTQLQIEISA-N 1 0 313.304 1.878 20 5 DDBDRO C[NH+]1CCC(C(=O)N[C@@](C)(CO)c2cccc([N+](=O)[O-])c2)CC1 ZINC001332679282 866060070 /nfs/dbraw/zinc/06/00/70/866060070.db2.gz CEIITRSMMLFDLA-INIZCTEOSA-N 1 0 321.377 1.260 20 5 DDBDRO [NH3+]Cc1ccccc1CNc1ncc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001160905732 866180746 /nfs/dbraw/zinc/18/07/46/866180746.db2.gz FJYPHARVCQKEFM-UHFFFAOYSA-N 1 0 303.278 1.969 20 5 DDBDRO C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001332976922 866306949 /nfs/dbraw/zinc/30/69/49/866306949.db2.gz UHRKTVXQFDWZAF-OMHDXBGXSA-N 1 0 301.346 1.849 20 5 DDBDRO [NH3+]CCN(CC(F)(F)F)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC001333214170 866529563 /nfs/dbraw/zinc/52/95/63/866529563.db2.gz FCRRCTABPHBFEI-UHFFFAOYSA-N 1 0 309.219 1.697 20 5 DDBDRO C[NH+](C)[C@@H]1CC[C@@H]2CN(c3cc[nH]c(=O)c3[N+](=O)[O-])C[C@@H]2C1 ZINC001333874919 867101264 /nfs/dbraw/zinc/10/12/64/867101264.db2.gz DCHXNAOIEJINDD-GRYCIOLGSA-N 1 0 306.366 1.862 20 5 DDBDRO COC(=O)c1ccc(C[NH3+])n1-c1nc(Cl)c(C)cc1[N+](=O)[O-] ZINC001161934401 867113015 /nfs/dbraw/zinc/11/30/15/867113015.db2.gz PAMIXUMDZNXMBW-UHFFFAOYSA-N 1 0 324.724 1.988 20 5 DDBDRO COC(=O)Cc1ccc(NC[C@H]2C[NH2+][C@H](C)C2)cc1[N+](=O)[O-] ZINC001162560076 867639760 /nfs/dbraw/zinc/63/97/60/867639760.db2.gz YJQBDOOOQIPOLE-GHMZBOCLSA-N 1 0 307.350 1.720 20 5 DDBDRO C[C@@H]([NH3+])c1nc2ccccc2n1-c1c(F)c([N+](=O)[O-])cc[n+]1[O-] ZINC001162760353 867802466 /nfs/dbraw/zinc/80/24/66/867802466.db2.gz ZLWWUQZAQUUFGU-MRVPVSSYSA-N 1 0 317.280 1.726 20 5 DDBDRO [NH3+][C@H]1COC[C@H]1Nc1nc(-c2ccccc2)ccc1[N+](=O)[O-] ZINC001162917714 867917588 /nfs/dbraw/zinc/91/75/88/867917588.db2.gz TVAWKUIPEAPPFA-WCQYABFASA-N 1 0 300.318 1.795 20 5 DDBDRO Cc1cc(N[C@@H]2COC[C@@H]2[NH3+])nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001162920002 867920012 /nfs/dbraw/zinc/92/00/12/867920012.db2.gz OGVACQYYIJXNQO-QWHCGFSZSA-N 1 0 315.333 1.498 20 5 DDBDRO COC(=O)[C@@H](Nc1ccc(NC(C)=O)c([N+](=O)[O-])c1)C(C)(C)[NH3+] ZINC001162950233 867939811 /nfs/dbraw/zinc/93/98/11/867939811.db2.gz OWRKIYGMXSIGRY-GFCCVEGCSA-N 1 0 324.337 1.244 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])cc1N[C@@H]1COCCC12C[NH2+]C2 ZINC001163072117 868055353 /nfs/dbraw/zinc/05/53/53/868055353.db2.gz HXSDJEZTMGCLBU-CYBMUJFWSA-N 1 0 321.333 1.172 20 5 DDBDRO O=[N+]([O-])c1cc(NC[C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)cc2cc[nH]c21 ZINC001163106244 868104500 /nfs/dbraw/zinc/10/45/00/868104500.db2.gz XSRKFWMNVMWJNW-MPKXVKKWSA-N 1 0 302.334 1.722 20 5 DDBDRO O=[N+]([O-])c1cc(N[C@@H]2C[NH2+]Cc3ccsc32)cn2cnnc12 ZINC001163230581 868235309 /nfs/dbraw/zinc/23/53/09/868235309.db2.gz PQFITEVRKBPSBX-SNVBAGLBSA-N 1 0 316.346 1.955 20 5 DDBDRO C[C@H]1CCN(CC[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC001335443217 868301472 /nfs/dbraw/zinc/30/14/72/868301472.db2.gz DQZUHENHIFOPGC-UONOGXRCSA-N 1 0 323.393 1.266 20 5 DDBDRO COC(=O)c1cnc(N[C@H](C[NH3+])c2ccccc2)c([N+](=O)[O-])c1 ZINC001163293932 868318680 /nfs/dbraw/zinc/31/86/80/868318680.db2.gz CRBWXTVKZLUYIL-GFCCVEGCSA-N 1 0 316.317 1.888 20 5 DDBDRO COc1cccc([C@H](C[NH3+])Nc2cc([N+](=O)[O-])cc[n+]2[O-])c1 ZINC001163303634 868326594 /nfs/dbraw/zinc/32/65/94/868326594.db2.gz OVEOYYRTORAMMU-ZDUSSCGKSA-N 1 0 304.306 1.349 20 5 DDBDRO COc1cccc([C@H](C[NH3+])Nc2ccc([N+](=O)[O-])c(N)n2)c1 ZINC001163308329 868334464 /nfs/dbraw/zinc/33/44/64/868334464.db2.gz AZLPDLKPFGYWQT-NSHDSACASA-N 1 0 303.322 1.693 20 5 DDBDRO COc1nc(C)nc(N[C@H]2CCO[C@@]3(CC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC001163314270 868344437 /nfs/dbraw/zinc/34/44/37/868344437.db2.gz ZHJUZCWUEQHIFJ-HZMBPMFUSA-N 1 0 323.353 1.025 20 5 DDBDRO COc1ccc(N[C@H]2CCCC[C@@]23C[NH2+]CCO3)nc1[N+](=O)[O-] ZINC001163645814 868588467 /nfs/dbraw/zinc/58/84/67/868588467.db2.gz FECFBNKYOFLLIE-SWLSCSKDSA-N 1 0 322.365 1.712 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H]2CCc3cncn3C2)c1 ZINC001335889537 868598581 /nfs/dbraw/zinc/59/85/81/868598581.db2.gz FNXPQUZHJJAOFB-SWLSCSKDSA-N 1 0 302.334 1.429 20 5 DDBDRO COCC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC001226167386 882242285 /nfs/dbraw/zinc/24/22/85/882242285.db2.gz IPRUAGYNQDQZDU-UHFFFAOYSA-N 1 0 323.349 1.183 20 5 DDBDRO C[NH+](C)CCC[C@@H]1CN(c2cc(N)c([N+](=O)[O-])cn2)CCO1 ZINC001336678883 869089360 /nfs/dbraw/zinc/08/93/60/869089360.db2.gz GWUCROAVJITNFE-LLVKDONJSA-N 1 0 309.370 1.119 20 5 DDBDRO CCN1CCC[C@@H]1C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC001336997797 869251464 /nfs/dbraw/zinc/25/14/64/869251464.db2.gz MNKJEBAZDVZZEZ-HUUCEWRRSA-N 1 0 323.393 1.408 20 5 DDBDRO CC(C)Oc1nc(N2C[C@H]3C[NH+](C)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001165149857 869409753 /nfs/dbraw/zinc/40/97/53/869409753.db2.gz NCWHGISEOVUPSR-VXGBXAGGSA-N 1 0 306.366 1.775 20 5 DDBDRO CN(C)/C=C/c1cc(N2CC[C@H]3C[C@@]3([NH3+])C2)ncc1[N+](=O)[O-] ZINC001165328802 869520193 /nfs/dbraw/zinc/52/01/93/869520193.db2.gz ZOIBEOWLYZODIL-VAIBOMDZSA-N 1 0 303.366 1.450 20 5 DDBDRO O=[N+]([O-])c1cnc(N2CC[C@@H]3CCCO[C@@H]3C2)nc1C1C[NH2+]C1 ZINC001165330337 869521229 /nfs/dbraw/zinc/52/12/29/869521229.db2.gz IVQDLJUADJGWMP-GXFFZTMASA-N 1 0 319.365 1.077 20 5 DDBDRO COC(=O)[C@@H]1C[NH2+]CCN1c1nc2ccccc2cc1[N+](=O)[O-] ZINC001165437604 869601822 /nfs/dbraw/zinc/60/18/22/869601822.db2.gz ACJZVJCFWHDMAK-ZDUSSCGKSA-N 1 0 316.317 1.094 20 5 DDBDRO O=C(NCCC[NH2+]Cc1ccccc1[N+](=O)[O-])C1(CF)CC1 ZINC001166354731 869965751 /nfs/dbraw/zinc/96/57/51/869965751.db2.gz GDYFLEUEJPWMRC-UHFFFAOYSA-N 1 0 309.341 1.940 20 5 DDBDRO COc1nc(N2CCC([C@H]3CCC[NH2+]3)CC2)ncc1[N+](=O)[O-] ZINC001166899942 870352648 /nfs/dbraw/zinc/35/26/48/870352648.db2.gz CAEMNUDDNGMKGT-LLVKDONJSA-N 1 0 307.354 1.362 20 5 DDBDRO COc1cc(C(=O)NC[C@@H]2CCCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC001339266726 870429679 /nfs/dbraw/zinc/42/96/79/870429679.db2.gz VXWKGQCZUCTSJX-LBPRGKRZSA-N 1 0 307.350 1.818 20 5 DDBDRO COC(=O)CSc1nccc(O[C@@H](C)C[N+](C)(C)C)n1 ZINC001226415112 882415195 /nfs/dbraw/zinc/41/51/95/882415195.db2.gz TXFGWPZNRGQNME-JTQLQIEISA-N 1 0 300.404 1.215 20 5 DDBDRO COC(=O)c1cc(OC2CC[NH+](C)CC2)c(OC)cc1[N+](=O)[O-] ZINC001226441026 882433844 /nfs/dbraw/zinc/43/38/44/882433844.db2.gz LARAVXPVJPHDBZ-UHFFFAOYSA-N 1 0 324.333 1.863 20 5 DDBDRO C[NH2+]C[C@H](O)[C@@H](C)C(=O)N1CCc2cc(C)c([N+](=O)[O-])cc21 ZINC001340427889 871099068 /nfs/dbraw/zinc/09/90/68/871099068.db2.gz DQIQVRQXNISNKT-YGRLFVJLSA-N 1 0 307.350 1.009 20 5 DDBDRO C[NH+](C)CC[C@H]1CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC001303476718 871126553 /nfs/dbraw/zinc/12/65/53/871126553.db2.gz HNWXVWIBROBKAJ-JTQLQIEISA-N 1 0 308.338 1.109 20 5 DDBDRO CC1([NH+]2CCC2)CCN(c2nccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC001307194737 871406843 /nfs/dbraw/zinc/40/68/43/871406843.db2.gz IQGIWRJXETXDJA-UHFFFAOYSA-N 1 0 319.365 1.153 20 5 DDBDRO O=C1N[C@@H]2C[N@H+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)CC[C@H]2CO1 ZINC001307906489 871459627 /nfs/dbraw/zinc/45/96/27/871459627.db2.gz XVJIOYUVBHCPAF-YUTCNCBUSA-N 1 0 321.333 1.059 20 5 DDBDRO COc1c(O)ccc(C[NH2+]CCc2nc(C)n[nH]2)c1[N+](=O)[O-] ZINC001205340703 871502597 /nfs/dbraw/zinc/50/25/97/871502597.db2.gz HVYQKITVOWDKTM-UHFFFAOYSA-N 1 0 307.310 1.068 20 5 DDBDRO COc1cc([N+](=O)[O-])c(C(=O)NOC[C@@H](C)[NH3+])cc1SC ZINC001341959192 871915384 /nfs/dbraw/zinc/91/53/84/871915384.db2.gz MJBHUWXNQCDGJW-SSDOTTSWSA-N 1 0 315.351 1.334 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H]1CCCC[C@@H]1[NH+](C)C ZINC001318413686 872017048 /nfs/dbraw/zinc/01/70/48/872017048.db2.gz NXTPSJUIXPBUBR-RYUDHWBXSA-N 1 0 309.370 1.089 20 5 DDBDRO C[N@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CCC1=CCCCC1 ZINC001316824328 872119895 /nfs/dbraw/zinc/11/98/95/872119895.db2.gz XBUXAGFUXAXUHH-HUUCEWRRSA-N 1 0 309.410 1.980 20 5 DDBDRO CCN(C(=O)CCNc1ccccc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC001342279011 872124672 /nfs/dbraw/zinc/12/46/72/872124672.db2.gz UCRLEYRKMYLUND-ZDUSSCGKSA-N 1 0 320.393 1.997 20 5 DDBDRO COc1cc(C(=O)N2CC[C@H](C[NH3+])[C@H](C)C2)cc([N+](=O)[O-])c1C ZINC001342642643 872312562 /nfs/dbraw/zinc/31/25/62/872312562.db2.gz FBDCWFJVIYINBJ-ZYHUDNBSSA-N 1 0 321.377 1.969 20 5 DDBDRO C[C@@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)[C@H]1C[N@H+](C)CCN1C ZINC001345719706 873488498 /nfs/dbraw/zinc/48/84/98/873488498.db2.gz PHZLXQIRIZAJEB-BXUZGUMPSA-N 1 0 321.381 1.351 20 5 DDBDRO CN(C)C1(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC001346250633 873666866 /nfs/dbraw/zinc/66/68/66/873666866.db2.gz GPGLEOWDOGXKIC-CYBMUJFWSA-N 1 0 309.366 1.018 20 5 DDBDRO C[C@H](Nc1ccc([N+](=O)[O-])c(N)c1F)[C@H]1C[N@H+](C)CCN1C ZINC001348311189 874476334 /nfs/dbraw/zinc/47/63/34/874476334.db2.gz GOTGLUQOPDFAET-JOYOIKCWSA-N 1 0 311.361 1.362 20 5 DDBDRO CCO[C@H](CNc1c2c(ccc1[N+](=O)[O-])NCC2)C[NH+](C)C ZINC001352088099 876592516 /nfs/dbraw/zinc/59/25/16/876592516.db2.gz YZOLAZINNOEEIQ-LLVKDONJSA-N 1 0 308.382 1.941 20 5 DDBDRO C[C@H](C[NH+](C)C)Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001227499189 883049431 /nfs/dbraw/zinc/04/94/31/883049431.db2.gz VOOYWZBXHRTFSH-SSDOTTSWSA-N 1 0 314.254 1.740 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1C[C@H](C)OC[C@@H]1C[C@H]2CC[NH2+]C[C@@H]2O1 ZINC001217872987 877345420 /nfs/dbraw/zinc/34/54/20/877345420.db2.gz VZBDIXRHIAKZMR-GHYVTOPFSA-N 1 0 324.381 1.272 20 5 DDBDRO O=[N+]([O-])c1ncc(Br)cc1O[C@H]1CCC[NH2+]C1 ZINC001218283777 877444960 /nfs/dbraw/zinc/44/49/60/877444960.db2.gz NJACQOIXMPLEBS-QMMMGPOBSA-N 1 0 302.128 1.883 20 5 DDBDRO CC(C)c1ccc(C(=O)N2CCNCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC001355016775 878375549 /nfs/dbraw/zinc/37/55/49/878375549.db2.gz VCPYTXBMQFLFBG-UHFFFAOYSA-N 1 0 320.393 1.353 20 5 DDBDRO COc1cccc(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](C)C[C@@H]23)c1[N+](=O)[O-] ZINC001355171690 878452346 /nfs/dbraw/zinc/45/23/46/878452346.db2.gz PIISSVFQHQWITE-RAIGVLPGSA-N 1 0 319.361 1.673 20 5 DDBDRO COCC[C@@H]1C[NH2+]CCN1C(=O)Cc1cccc([N+](=O)[O-])c1C ZINC001355559026 878617987 /nfs/dbraw/zinc/61/79/87/878617987.db2.gz LTVXAUJEJBXJQG-CQSZACIVSA-N 1 0 321.377 1.283 20 5 DDBDRO C[N@@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC001356584224 879114165 /nfs/dbraw/zinc/11/41/65/879114165.db2.gz NDXCLLYAJIYGRM-UONOGXRCSA-N 1 0 323.393 1.266 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2C[C@@H]2Cc2ccccc2)c1 ZINC001356609915 879130160 /nfs/dbraw/zinc/13/01/60/879130160.db2.gz UJLGBXAJKVGVQR-IMJJTQAJSA-N 1 0 316.361 1.373 20 5 DDBDRO CC/C=C\CC[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001223114967 880837655 /nfs/dbraw/zinc/83/76/55/880837655.db2.gz ZAJOYXORAKBQMW-LPUOJRKPSA-N 1 0 309.410 1.836 20 5 DDBDRO COc1ccc(COCC[N@H+]2CC[C@@H](OC)C2)c([N+](=O)[O-])c1 ZINC001223515020 880986917 /nfs/dbraw/zinc/98/69/17/880986917.db2.gz CGUQSKOEGZKNJA-CQSZACIVSA-N 1 0 310.350 1.841 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc2c(c1)C(=O)CCC2 ZINC001228841792 883692870 /nfs/dbraw/zinc/69/28/70/883692870.db2.gz KRROPBWDIBZSRG-CYBMUJFWSA-N 1 0 306.382 1.568 20 5 DDBDRO COC(=O)[C@@H]1C[C@@H]([NH3+])CN1[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001246903697 892979251 /nfs/dbraw/zinc/97/92/51/892979251.db2.gz KSRGJXOBTOSQII-QKCSRTOESA-N 1 0 307.350 1.100 20 5 DDBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc(C[C@H]2[C@H]3C[NH2+]C[C@@H]23)n1 ZINC001247953343 893496280 /nfs/dbraw/zinc/49/62/80/893496280.db2.gz MACNVYUSHSAYPV-AYMMMOKOSA-N 1 0 305.269 1.187 20 5 DDBDRO CN(C)C(=O)C[N@H+](C)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254478461 896456415 /nfs/dbraw/zinc/45/64/15/896456415.db2.gz DZWVOSJIQQPZSD-UHFFFAOYSA-N 1 0 320.393 1.584 20 5 DDBDRO C[NH+](C)C1CN(C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254475718 896456819 /nfs/dbraw/zinc/45/68/19/896456819.db2.gz ILYMBNICETVOSE-UHFFFAOYSA-N 1 0 304.394 1.809 20 5 DDBDRO CNC(=O)N1CCC([NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001254549147 896499713 /nfs/dbraw/zinc/49/97/13/896499713.db2.gz SKMLZZUKUOXFHX-GFCCVEGCSA-N 1 0 320.393 1.919 20 5 DDBDRO C[C@H]1COCCN1CC[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254581196 896513059 /nfs/dbraw/zinc/51/30/59/896513059.db2.gz MCPRGADXODRKFU-SWLSCSKDSA-N 1 0 305.378 1.372 20 5 DDBDRO COC(=O)c1ccc(C[NH3+])n1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254586267 896517846 /nfs/dbraw/zinc/51/78/46/896517846.db2.gz JIKZHFHNQLHFSZ-CQSZACIVSA-N 1 0 315.329 1.982 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH+]1CCC3(C[C@@H](O)CO3)CC1)C2 ZINC001254592384 896522484 /nfs/dbraw/zinc/52/24/84/896522484.db2.gz CMIOJBHYEIGQPE-HZPDHXFCSA-N 1 0 318.373 1.678 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCc1ccccc1C[NH3+] ZINC001261434647 899572063 /nfs/dbraw/zinc/57/20/63/899572063.db2.gz QCULZUFLAGZRAD-UHFFFAOYSA-N 1 0 317.349 1.265 20 5 DDBDRO C[C@@H]1CN(CC[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@H](C)CO1 ZINC001262569070 900253064 /nfs/dbraw/zinc/25/30/64/900253064.db2.gz PCLITFHSACIPMV-XJKCOSOUSA-N 1 0 323.393 1.327 20 5 DDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N[C@]12CCC[C@H]1C[NH2+]C2 ZINC001262575506 900256742 /nfs/dbraw/zinc/25/67/42/900256742.db2.gz RHUNNXFTFOKRPK-BBRMVZONSA-N 1 0 318.377 1.579 20 5 DDBDRO CC[NH+]1CCN(C2CN(c3ccc(F)cc3[N+](=O)[O-])C2)CC1 ZINC001262708098 900321232 /nfs/dbraw/zinc/32/12/32/900321232.db2.gz PXXOPENQNIJEGF-UHFFFAOYSA-N 1 0 308.357 1.560 20 5 DDBDRO [NH3+]C[C@@]12CC[C@@H]1CCCN2C(=O)COc1ccccc1[N+](=O)[O-] ZINC001263237917 900544198 /nfs/dbraw/zinc/54/41/98/900544198.db2.gz WROJBZQSVMHMFD-LRDDRELGSA-N 1 0 319.361 1.704 20 5 DDBDRO COc1ccc(C[NH2+]Cc2ccc(C)n(C)c2=O)cc1[N+](=O)[O-] ZINC000278599813 214266610 /nfs/dbraw/zinc/26/66/10/214266610.db2.gz CCPFPDDRSJHNES-UHFFFAOYSA-N 1 0 317.345 1.900 20 5 DDBDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000278658016 214306529 /nfs/dbraw/zinc/30/65/29/214306529.db2.gz NWGGZEIXYAMYSX-ZDUSSCGKSA-N 1 0 323.393 1.990 20 5 DDBDRO O=C(NC[C@H]1CCC[N@H+]1CCCO)c1ccccc1[N+](=O)[O-] ZINC000452347341 231356040 /nfs/dbraw/zinc/35/60/40/231356040.db2.gz IJRNFIFWSIMFQX-GFCCVEGCSA-N 1 0 307.350 1.171 20 5 DDBDRO COC[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C)C1CC1 ZINC000181573266 199319666 /nfs/dbraw/zinc/31/96/66/199319666.db2.gz WQOPRHBAVHMJKB-AWEZNQCLSA-N 1 0 307.350 1.856 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000293535894 529785864 /nfs/dbraw/zinc/78/58/64/529785864.db2.gz VKSBIUVJVATSFG-FZMZJTMJSA-N 1 0 318.377 1.485 20 5 DDBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000418544880 529933625 /nfs/dbraw/zinc/93/36/25/529933625.db2.gz FCLAHATVWRUJNC-CQSZACIVSA-N 1 0 320.393 1.921 20 5 DDBDRO Cc1ccc(C)c(S(=O)(=O)N[C@@H](C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000286792503 282346792 /nfs/dbraw/zinc/34/67/92/282346792.db2.gz SFYNYEOCCJSAOA-NSHDSACASA-N 1 0 315.395 1.440 20 5 DDBDRO CC[C@@]1([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CCOC1 ZINC000616865325 362852215 /nfs/dbraw/zinc/85/22/15/362852215.db2.gz KMDUWDJNUYAMFT-OAHLLOKOSA-N 1 0 323.349 1.701 20 5 DDBDRO Cc1nn(C)c(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000155768361 186111170 /nfs/dbraw/zinc/11/11/70/186111170.db2.gz KCTHFDRRDGIYLI-VXGBXAGGSA-N 1 0 321.381 1.193 20 5 DDBDRO COC(=O)[C@H]1CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000191861933 186265954 /nfs/dbraw/zinc/26/59/54/186265954.db2.gz OJFRGCZHTJFZLT-CQDKDKBSSA-N 1 0 322.361 1.759 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@@H]3CCCCO3)CC2)cn1 ZINC000026483357 352209731 /nfs/dbraw/zinc/20/97/31/352209731.db2.gz WYMRYJIIWCJUCY-AWEZNQCLSA-N 1 0 306.366 1.681 20 5 DDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@H](C)[NH+](C)C ZINC000026856549 352211801 /nfs/dbraw/zinc/21/18/01/352211801.db2.gz DTZDLASALCRWSG-VIFPVBQESA-N 1 0 301.368 1.132 20 5 DDBDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000027767083 352222315 /nfs/dbraw/zinc/22/23/15/352222315.db2.gz MVIRACPFGBLFOJ-ZDUSSCGKSA-N 1 0 321.377 1.964 20 5 DDBDRO COCC[N@H+](C)CCCNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000042310029 352333593 /nfs/dbraw/zinc/33/35/93/352333593.db2.gz ITJQBGPHMNDZQD-UHFFFAOYSA-N 1 0 310.354 1.685 20 5 DDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)NC1CC[NH+](C2CC2)CC1 ZINC000173007202 198176766 /nfs/dbraw/zinc/17/67/66/198176766.db2.gz WFGSZTSQQFXXNX-UHFFFAOYSA-N 1 0 303.362 1.880 20 5 DDBDRO C[C@H](CCCC[NH3+])NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000292119983 222850026 /nfs/dbraw/zinc/85/00/26/222850026.db2.gz QLTQUKZNAZCTDG-GFCCVEGCSA-N 1 0 309.366 1.997 20 5 DDBDRO C[NH+](C)C1(CNC(=O)Nc2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000073028151 191270532 /nfs/dbraw/zinc/27/05/32/191270532.db2.gz XKYVSDMZHSEDED-UHFFFAOYSA-N 1 0 322.365 1.827 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C[C@@H]2CCC[C@H]2O)c1 ZINC000564973875 304031947 /nfs/dbraw/zinc/03/19/47/304031947.db2.gz AFWNLJLJWKUUMN-CORIIIEPSA-N 1 0 310.350 1.085 20 5 DDBDRO CN(CC[NH+]1CCCC1)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000074763727 353328804 /nfs/dbraw/zinc/32/88/04/353328804.db2.gz UYZLYUJEGCXWME-UHFFFAOYSA-N 1 0 320.393 1.875 20 5 DDBDRO CCC[N@H+](CC)CCNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000174640991 198363501 /nfs/dbraw/zinc/36/35/01/198363501.db2.gz VSIJKAZEWZWZIM-UHFFFAOYSA-N 1 0 309.366 1.822 20 5 DDBDRO CCC[N@H+](CC)CCNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000174652763 198365207 /nfs/dbraw/zinc/36/52/07/198365207.db2.gz YAOKINDJNBLLEI-UHFFFAOYSA-N 1 0 308.382 1.855 20 5 DDBDRO C[C@H]1CCC[N@@H+](C(C)(C)CNc2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000076269950 353410529 /nfs/dbraw/zinc/41/05/29/353410529.db2.gz HTWMMQAEQGMHMV-JTQLQIEISA-N 1 0 308.386 1.889 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC1CC[NH+](C)CC1 ZINC000078296698 353509777 /nfs/dbraw/zinc/50/97/77/353509777.db2.gz GMHITWQYIAEUPS-UHFFFAOYSA-N 1 0 313.379 1.276 20 5 DDBDRO CCc1nn(C)c(N2CCN(c3cc[nH+]cc3)CC2)c1[N+](=O)[O-] ZINC000094132539 353910488 /nfs/dbraw/zinc/91/04/88/353910488.db2.gz MEQYGOWWURQQGL-UHFFFAOYSA-N 1 0 316.365 1.612 20 5 DDBDRO Cc1ccc(S(=O)(=O)N[C@H]2CCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000125098848 354044192 /nfs/dbraw/zinc/04/41/92/354044192.db2.gz XRQMKIILRMXRDT-QWRGUYRKSA-N 1 0 313.379 1.451 20 5 DDBDRO O=C(CNc1ccccc1[N+](=O)[O-])N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000141334075 354139758 /nfs/dbraw/zinc/13/97/58/354139758.db2.gz QPGTWFYDGVCWEJ-CYBMUJFWSA-N 1 0 318.377 1.703 20 5 DDBDRO CCOc1cc(C(=O)NCC[NH2+]C2CC2)c([N+](=O)[O-])cc1OC ZINC000151503172 354184811 /nfs/dbraw/zinc/18/48/11/354184811.db2.gz PCEFZZTZSKJBCJ-UHFFFAOYSA-N 1 0 323.349 1.484 20 5 DDBDRO CC[N@@H+]1CCC[C@H](CNc2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000357228404 291022146 /nfs/dbraw/zinc/02/21/46/291022146.db2.gz XFPYEENAMHGNRT-SNVBAGLBSA-N 1 0 307.354 1.233 20 5 DDBDRO CC(C)[NH2+]CCC(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000169188343 354251265 /nfs/dbraw/zinc/25/12/65/354251265.db2.gz JSHTXONWOMFXJS-LBPRGKRZSA-N 1 0 321.381 1.391 20 5 DDBDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000176910041 198636348 /nfs/dbraw/zinc/63/63/48/198636348.db2.gz AUQPEPNPSGNEMI-HNNXBMFYSA-N 1 0 323.393 1.990 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H](CO)CC1 ZINC000293056331 354453115 /nfs/dbraw/zinc/45/31/15/354453115.db2.gz IFHQJXOLRKTUPR-ZIAGYGMSSA-N 1 0 324.377 1.429 20 5 DDBDRO CC(C)[C@@](C)(C[NH3+])NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000236810276 202019754 /nfs/dbraw/zinc/01/97/54/202019754.db2.gz PIHFGJFVOFYYLA-OAHLLOKOSA-N 1 0 308.382 1.521 20 5 DDBDRO O=[N+]([O-])c1cncc(Cl)c1N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000313926124 354482372 /nfs/dbraw/zinc/48/23/72/354482372.db2.gz FNTSXTGUAKULKA-SNVBAGLBSA-N 1 0 311.773 1.127 20 5 DDBDRO CCc1ccccc1C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000315559217 354495268 /nfs/dbraw/zinc/49/52/68/354495268.db2.gz COAULEMDSYUSGT-HNNXBMFYSA-N 1 0 304.350 1.504 20 5 DDBDRO CCO[C@@H]1CN(C(=O)c2ccc(OC)c([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000405333970 354678830 /nfs/dbraw/zinc/67/88/30/354678830.db2.gz IDDOMUMXGDURGL-BXUZGUMPSA-N 1 0 323.349 1.039 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000346282982 283050904 /nfs/dbraw/zinc/05/09/04/283050904.db2.gz LELIXHLDPHDMED-ZYHUDNBSSA-N 1 0 307.350 1.737 20 5 DDBDRO C[NH+](C)[C@@H]1CCCN(c2cc(N)c([N+](=O)[O-])c(CO)c2)CC1 ZINC000588033815 354896501 /nfs/dbraw/zinc/89/65/01/354896501.db2.gz IBQSPFBWJCUDQK-GFCCVEGCSA-N 1 0 308.382 1.590 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@](C)(C(N)=O)C2)c1 ZINC000589515641 354998864 /nfs/dbraw/zinc/99/88/64/354998864.db2.gz VSPOUUDQKKFIQC-HNNXBMFYSA-N 1 0 321.333 1.079 20 5 DDBDRO COc1ccc(OCCN2CC[C@@H]3C[N@H+](C)C[C@H]32)c([N+](=O)[O-])c1 ZINC000590010309 355039124 /nfs/dbraw/zinc/03/91/24/355039124.db2.gz AUZNHXZRCRARHM-IUODEOHRSA-N 1 0 321.377 1.618 20 5 DDBDRO C[N@@H+]1C[C@@H]2CCN(CCC(=O)Nc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000590011104 355040609 /nfs/dbraw/zinc/04/06/09/355040609.db2.gz HUKWCDIBACTPPT-SWLSCSKDSA-N 1 0 318.377 1.559 20 5 DDBDRO CCOc1cc(C[NH2+][C@](C)(CCO)COC)ccc1[N+](=O)[O-] ZINC000276976236 213214778 /nfs/dbraw/zinc/21/47/78/213214778.db2.gz XUZYFNISZTZGLD-OAHLLOKOSA-N 1 0 312.366 1.871 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC000590443743 355097233 /nfs/dbraw/zinc/09/72/33/355097233.db2.gz GYHRDEWGBRZYHY-GXFFZTMASA-N 1 0 305.334 1.380 20 5 DDBDRO C[N@@H+]1C[C@H]2CCN(C(=O)CSc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000590446349 355099202 /nfs/dbraw/zinc/09/92/02/355099202.db2.gz UTPAZNMRFOSNOL-BXUZGUMPSA-N 1 0 321.402 1.849 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21 ZINC000590446506 355099575 /nfs/dbraw/zinc/09/95/75/355099575.db2.gz VZFCVKRQXNRXCN-ZWNOBZJWSA-N 1 0 305.334 1.380 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000591271646 355274569 /nfs/dbraw/zinc/27/45/69/355274569.db2.gz ATKOZYUKKNNAMM-GWCFXTLKSA-N 1 0 308.338 1.483 20 5 DDBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000591356136 355297897 /nfs/dbraw/zinc/29/78/97/355297897.db2.gz TUTHJTYHDCGFHM-ZFWWWQNUSA-N 1 0 318.377 1.531 20 5 DDBDRO O=C(NCC[NH+]1CCCC1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000591423288 355307314 /nfs/dbraw/zinc/30/73/14/355307314.db2.gz HHSUUYLHKVFWCM-UHFFFAOYSA-N 1 0 307.306 1.149 20 5 DDBDRO O=[N+]([O-])c1cnc2ccc(N3CCC4(CC[NH2+]C4)CC3)nn21 ZINC000591440737 355312268 /nfs/dbraw/zinc/31/22/68/355312268.db2.gz OTTVMKZJQQXWFI-UHFFFAOYSA-N 1 0 302.338 1.217 20 5 DDBDRO C[C@]1(F)C[NH2+]CCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C1 ZINC000591442201 355312274 /nfs/dbraw/zinc/31/22/74/355312274.db2.gz SXFYKUAKOOTNGR-AWEZNQCLSA-N 1 0 321.312 1.381 20 5 DDBDRO C[C@H](C[C@H]1CCCO1)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000591734393 355374927 /nfs/dbraw/zinc/37/49/27/355374927.db2.gz SMFZUNCPFFIDRV-MGPQQGTHSA-N 1 0 324.377 1.882 20 5 DDBDRO O=C(NCC[NH2+]C1CC1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000591679181 355361166 /nfs/dbraw/zinc/36/11/66/355361166.db2.gz IPKLMXSPVTYAGA-UHFFFAOYSA-N 1 0 315.333 1.262 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CCC[C@H]3CCOC3)CC2)cn1 ZINC000592058604 355479902 /nfs/dbraw/zinc/47/99/02/355479902.db2.gz HWSXTTHAJKWDSN-AWEZNQCLSA-N 1 0 320.393 1.929 20 5 DDBDRO COC(=O)c1cc(C(=O)N2CCC(C)([NH3+])CC2)cc([N+](=O)[O-])c1 ZINC000592331504 355561100 /nfs/dbraw/zinc/56/11/00/355561100.db2.gz RMDWVLLXUGKFEW-UHFFFAOYSA-N 1 0 321.333 1.335 20 5 DDBDRO COC(=O)[C@@H]1C[C@H](O)C[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000592205586 355536697 /nfs/dbraw/zinc/53/66/97/355536697.db2.gz DBOWGBVAMPIWTL-SUHUHFCYSA-N 1 0 308.334 1.512 20 5 DDBDRO CN(CCN1CC[NH2+]CC1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000592471965 355592855 /nfs/dbraw/zinc/59/28/55/355592855.db2.gz ABLURGUUFRADHC-UHFFFAOYSA-N 1 0 319.365 1.073 20 5 DDBDRO CC1([NH3+])CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000592484435 355595178 /nfs/dbraw/zinc/59/51/78/355595178.db2.gz BYWMGHQAZTWJKW-UHFFFAOYSA-N 1 0 317.349 1.958 20 5 DDBDRO CC(C)[C@H]1CN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000592484926 355596429 /nfs/dbraw/zinc/59/64/29/355596429.db2.gz IYGCBMWKVYTNJV-CYBMUJFWSA-N 1 0 306.366 1.463 20 5 DDBDRO CN(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)CC(C)(C)C[NH3+] ZINC000592427926 355580400 /nfs/dbraw/zinc/58/04/00/355580400.db2.gz ZMOJGFSLWVIDRF-UHFFFAOYSA-N 1 0 309.366 1.783 20 5 DDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000592538656 355620955 /nfs/dbraw/zinc/62/09/55/355620955.db2.gz ZSXQDSISWMISTB-DGCLKSJQSA-N 1 0 318.377 1.781 20 5 DDBDRO O=C(N[C@@H]1CCC[NH2+]CC1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000592543904 355622298 /nfs/dbraw/zinc/62/22/98/355622298.db2.gz XBLGVLIEAAAQDD-SECBINFHSA-N 1 0 307.306 1.195 20 5 DDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000592569057 355632575 /nfs/dbraw/zinc/63/25/75/355632575.db2.gz XOAHPNUMODKNST-SNVBAGLBSA-N 1 0 304.350 1.582 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[NH2+]C12CCCC2 ZINC000592569779 355632628 /nfs/dbraw/zinc/63/26/28/355632628.db2.gz CYPRZXFYSKMFRJ-AWEZNQCLSA-N 1 0 319.361 1.765 20 5 DDBDRO CCCN(C(=O)Cn1cc([N+](=O)[O-])nc1C)[C@@H]1CC[N@H+](C)C1 ZINC000592831709 355707232 /nfs/dbraw/zinc/70/72/32/355707232.db2.gz NVTPHJANTDJFSQ-GFCCVEGCSA-N 1 0 309.370 1.042 20 5 DDBDRO CCCN(C(=O)c1c([N+](=O)[O-])c(C)nn1C)[C@@H]1CC[N@H+](C)C1 ZINC000592833286 355707848 /nfs/dbraw/zinc/70/78/48/355707848.db2.gz YDOAFEHLTXJVQI-LLVKDONJSA-N 1 0 309.370 1.193 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000601326630 358498323 /nfs/dbraw/zinc/49/83/23/358498323.db2.gz FMTDMXZNTQAJCR-AAEUAGOBSA-N 1 0 304.350 1.278 20 5 DDBDRO O=[N+]([O-])c1cc(Cl)ccc1CN1CCC([NH2+]CCO)CC1 ZINC000601328069 358499567 /nfs/dbraw/zinc/49/95/67/358499567.db2.gz FWYJETBAFCBWQR-UHFFFAOYSA-N 1 0 313.785 1.795 20 5 DDBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1C[C@@H](C(N)=O)C1 ZINC000593670813 355962381 /nfs/dbraw/zinc/96/23/81/355962381.db2.gz UJKHOLFQZBMACX-FOGDFJRCSA-N 1 0 320.349 1.165 20 5 DDBDRO CCN1C[C@H](C[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)CC1=O ZINC000593685914 355966320 /nfs/dbraw/zinc/96/63/20/355966320.db2.gz GEILNMOOMNRSNJ-LBPRGKRZSA-N 1 0 307.350 1.561 20 5 DDBDRO C[C@@H]1CCCN(C(=O)COc2ccccc2[N+](=O)[O-])[C@@H]1CC[NH3+] ZINC000593914181 356057261 /nfs/dbraw/zinc/05/72/61/356057261.db2.gz ANBTZZROVDMOEY-CHWSQXEVSA-N 1 0 321.377 1.950 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000593917882 356059703 /nfs/dbraw/zinc/05/97/03/356059703.db2.gz ZLVCNNNXSCMACN-PWSUYJOCSA-N 1 0 309.370 1.076 20 5 DDBDRO Cc1nn(CCC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)c(C)c1[N+](=O)[O-] ZINC000594101863 356113286 /nfs/dbraw/zinc/11/32/86/356113286.db2.gz CEYOGEUSVQCSFH-BETUJISGSA-N 1 0 323.397 1.255 20 5 DDBDRO C[C@@H](O)C[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000594063571 356103361 /nfs/dbraw/zinc/10/33/61/356103361.db2.gz IGXQALUFLNGGLL-YPMHNXCESA-N 1 0 310.350 1.180 20 5 DDBDRO CCOc1ccc(C(=O)N[C@H](C[NH3+])C(F)(F)F)cc1[N+](=O)[O-] ZINC000594451245 356221787 /nfs/dbraw/zinc/22/17/87/356221787.db2.gz GJRLCFPUSDJAGP-SNVBAGLBSA-N 1 0 321.255 1.613 20 5 DDBDRO [NH3+]C[C@H](NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)C(F)(F)F ZINC000594451007 356221958 /nfs/dbraw/zinc/22/19/58/356221958.db2.gz BADXGXNJNRDOAT-QMMMGPOBSA-N 1 0 317.227 1.091 20 5 DDBDRO C[N@@H+]1CCN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC1(C)C ZINC000594356921 356181859 /nfs/dbraw/zinc/18/18/59/356181859.db2.gz XWTLIYXDRDXVDU-UHFFFAOYSA-N 1 0 309.341 1.829 20 5 DDBDRO Cc1cc(S(=O)(=O)NCC[C@@H](C)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000594817225 356326495 /nfs/dbraw/zinc/32/64/95/356326495.db2.gz PHJVJUCSQIHXQA-LLVKDONJSA-N 1 0 315.395 1.522 20 5 DDBDRO C[C@@H]([NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C1(CO)CC1 ZINC000594967891 356366110 /nfs/dbraw/zinc/36/61/10/356366110.db2.gz AGEWQASENKYPPZ-SNVBAGLBSA-N 1 0 308.334 1.617 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@@H](O)C[NH+]1CCCC1 ZINC000595018591 356372874 /nfs/dbraw/zinc/37/28/74/356372874.db2.gz SPZVLFOCFVUDGY-GXTWGEPZSA-N 1 0 323.393 1.711 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H]1CC[C@@H](CO)O1 ZINC000595038854 356375084 /nfs/dbraw/zinc/37/50/84/356375084.db2.gz PFXIALWRYMCNAT-UHTWSYAYSA-N 1 0 310.350 1.794 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC1(CC(N)=O)CC1 ZINC000595043565 356376127 /nfs/dbraw/zinc/37/61/27/356376127.db2.gz IGDWEXYOXJVREE-SNVBAGLBSA-N 1 0 307.350 1.910 20 5 DDBDRO O=C1CC[C@@H](C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)N1 ZINC000595088775 356381469 /nfs/dbraw/zinc/38/14/69/356381469.db2.gz CYVOJQIGSRXLCY-KBPBESRZSA-N 1 0 303.362 1.784 20 5 DDBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1CCC(=O)N1 ZINC000595089360 356381552 /nfs/dbraw/zinc/38/15/52/356381552.db2.gz HWVMUDAWRHEHIZ-PWSUYJOCSA-N 1 0 320.349 1.180 20 5 DDBDRO CN(CC(C)(C)[NH3+])S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000595115233 356383842 /nfs/dbraw/zinc/38/38/42/356383842.db2.gz CHZHTZFJMGOTFS-UHFFFAOYSA-N 1 0 301.368 1.094 20 5 DDBDRO C[NH2+]C[C@@H](C)NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000595122458 356386917 /nfs/dbraw/zinc/38/69/17/356386917.db2.gz STNQYIBEZBYJIX-SSDOTTSWSA-N 1 0 307.759 1.134 20 5 DDBDRO O=C(Cn1ccc([N+](=O)[O-])n1)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000595225855 356411461 /nfs/dbraw/zinc/41/14/61/356411461.db2.gz PAZUJKZDGKNOJK-QWHCGFSZSA-N 1 0 321.381 1.172 20 5 DDBDRO [NH3+]C[C@@H]1Cc2ccccc2N(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000601336126 358504621 /nfs/dbraw/zinc/50/46/21/358504621.db2.gz XMNCBNBKFDBQKB-LBPRGKRZSA-N 1 0 301.350 1.429 20 5 DDBDRO CC(=O)N1CC([NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000565215660 304054334 /nfs/dbraw/zinc/05/43/34/304054334.db2.gz CCKCOOOJLALNAD-SNVBAGLBSA-N 1 0 320.349 1.132 20 5 DDBDRO CCC[N@@H+]1CC[C@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000595455199 356499300 /nfs/dbraw/zinc/49/93/00/356499300.db2.gz SZGRDZWJLBSSLX-ZDUSSCGKSA-N 1 0 306.366 1.878 20 5 DDBDRO Cc1noc(CN2CC[N@@H+](CC(C)(C)O)C[C@H]2C)c1[N+](=O)[O-] ZINC000595470672 356506207 /nfs/dbraw/zinc/50/62/07/356506207.db2.gz OOLHOPPVYITOGS-SNVBAGLBSA-N 1 0 312.370 1.168 20 5 DDBDRO COC[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1cccc(OC)c1 ZINC000595684814 356609909 /nfs/dbraw/zinc/60/99/09/356609909.db2.gz QHRCDZYCUWVQHY-HNNXBMFYSA-N 1 0 320.349 1.777 20 5 DDBDRO O=C1CC[C@H]2C[N@H+](CCc3ccc([N+](=O)[O-])cc3)CC[C@@H]2N1 ZINC000595744990 356631939 /nfs/dbraw/zinc/63/19/39/356631939.db2.gz XPLWGVKCKBYEPX-ZFWWWQNUSA-N 1 0 303.362 1.738 20 5 DDBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@@H]3C[C@@H](O)C34CCC4)nc2c1 ZINC000595785524 356651134 /nfs/dbraw/zinc/65/11/34/356651134.db2.gz XGWLBFASWBKIKX-CHWSQXEVSA-N 1 0 302.334 1.864 20 5 DDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H]2COC[C@]2(C)C1 ZINC000595755405 356636921 /nfs/dbraw/zinc/63/69/21/356636921.db2.gz ADXYPANMRDXJOW-HSMVNMDESA-N 1 0 319.361 1.890 20 5 DDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H]2COC[C@]2(C)C1 ZINC000595755460 356637075 /nfs/dbraw/zinc/63/70/75/356637075.db2.gz ARLLWCNSJQONHQ-HSMVNMDESA-N 1 0 319.361 1.890 20 5 DDBDRO O=[N+]([O-])c1ccccc1CN1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000595862324 356682229 /nfs/dbraw/zinc/68/22/29/356682229.db2.gz ABRWVQKIENSLEF-OAHLLOKOSA-N 1 0 305.378 1.626 20 5 DDBDRO O=C(Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)c1n[nH]cc1[N+](=O)[O-] ZINC000595944501 356716912 /nfs/dbraw/zinc/71/69/12/356716912.db2.gz ZGGSHTMGEFCABZ-LBPRGKRZSA-N 1 0 317.305 1.231 20 5 DDBDRO CC1(C)[C@H](C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1(F)F ZINC000596066037 356759438 /nfs/dbraw/zinc/75/94/38/356759438.db2.gz NWFJRFXQFZIAPL-ZJUUUORDSA-N 1 0 304.297 1.033 20 5 DDBDRO COc1cccc(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1C ZINC000596070744 356761189 /nfs/dbraw/zinc/76/11/89/356761189.db2.gz SXUVMVSNGRXPMJ-CQSZACIVSA-N 1 0 320.349 1.259 20 5 DDBDRO C[N@H+](CCNc1ccc([N+](=O)[O-])c(C(N)=O)c1)C1CCCC1 ZINC000596113677 356776455 /nfs/dbraw/zinc/77/64/55/356776455.db2.gz WITGCBJVNDQDOS-UHFFFAOYSA-N 1 0 306.366 1.980 20 5 DDBDRO CC(C)C[NH2+]C1(CO)CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000596253669 356833585 /nfs/dbraw/zinc/83/35/85/356833585.db2.gz FPADHKOZXLDSGW-UHFFFAOYSA-N 1 0 308.382 1.567 20 5 DDBDRO CS[C@@H]1CN(c2ccc(N)c([N+](=O)[O-])n2)C[C@@H]1[NH+]1CCCC1 ZINC000596194924 356809363 /nfs/dbraw/zinc/80/93/63/356809363.db2.gz IHJJXTPRKLLWGV-NWDGAFQWSA-N 1 0 323.422 1.588 20 5 DDBDRO COC(=O)c1cc(C)nc(N2CC(C[NH+](C)C)C2)c1[N+](=O)[O-] ZINC000596246837 356831110 /nfs/dbraw/zinc/83/11/10/356831110.db2.gz IENXTEHHWFWZKO-UHFFFAOYSA-N 1 0 308.338 1.083 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC2(C[NH+](C)C2)C1 ZINC000597567051 357231483 /nfs/dbraw/zinc/23/14/83/357231483.db2.gz AGDWURABKSZCJK-UHFFFAOYSA-N 1 0 303.362 1.989 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC(C[NH+](C)C)C2)c1 ZINC000597707925 357295453 /nfs/dbraw/zinc/29/54/53/357295453.db2.gz JXYMYWHJIAQATJ-UHFFFAOYSA-N 1 0 321.377 1.692 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000597854986 357358719 /nfs/dbraw/zinc/35/87/19/357358719.db2.gz OKXKFGMGCKTLCM-LBPRGKRZSA-N 1 0 323.397 1.336 20 5 DDBDRO CCN(C(=O)c1cc([N+](=O)[O-])cnc1C)[C@H]1CC[N@H+](CC)C1 ZINC000598041304 357439451 /nfs/dbraw/zinc/43/94/51/357439451.db2.gz KXPMKQFSDROYJG-LBPRGKRZSA-N 1 0 306.366 1.855 20 5 DDBDRO COc1cc([N+](=O)[O-])c(C(=O)NCC[C@@H](C)[NH3+])cc1SC ZINC000178630447 198900636 /nfs/dbraw/zinc/90/06/36/198900636.db2.gz QXDLZEZGHBUSPS-MRVPVSSYSA-N 1 0 313.379 1.792 20 5 DDBDRO CC[C@@H]1CN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C[C@H](C)[NH2+]1 ZINC000598536783 357624869 /nfs/dbraw/zinc/62/48/69/357624869.db2.gz WUTRGHKMUDAZFS-VHSXEESVSA-N 1 0 317.349 1.684 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000598668627 357678197 /nfs/dbraw/zinc/67/81/97/357678197.db2.gz CKYGGRFWZHEAGF-BONVTDFDSA-N 1 0 305.334 1.557 20 5 DDBDRO [NH3+][C@]12CCC[C@H]1CN(C(=O)CNc1ccccc1[N+](=O)[O-])C2 ZINC000598668592 357678379 /nfs/dbraw/zinc/67/83/79/357678379.db2.gz BATLLTQDUAGQSQ-NHYWBVRUSA-N 1 0 304.350 1.347 20 5 DDBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000599108865 357818501 /nfs/dbraw/zinc/81/85/01/357818501.db2.gz YPOYHCXLRJQVII-GFCCVEGCSA-N 1 0 311.363 1.158 20 5 DDBDRO O=[N+]([O-])c1c(NCC[N@H+]2CC[C@H](O)C2)ccc2ncccc21 ZINC000599200089 357847840 /nfs/dbraw/zinc/84/78/40/357847840.db2.gz WGSDGHSEHAUOEJ-NSHDSACASA-N 1 0 302.334 1.622 20 5 DDBDRO O=[N+]([O-])c1ccc2[nH]c(CN3CC[NH+](CCCF)CC3)nc2c1 ZINC000599666827 358016250 /nfs/dbraw/zinc/01/62/50/358016250.db2.gz CWQLATMGOBDOLE-UHFFFAOYSA-N 1 0 321.356 1.948 20 5 DDBDRO CN(C(=O)COc1ccc([N+](=O)[O-])cc1)[C@H]1C[NH+]2CCC1CC2 ZINC000348002101 283327105 /nfs/dbraw/zinc/32/71/05/283327105.db2.gz SRKXINLPAJGNBK-HNNXBMFYSA-N 1 0 319.361 1.526 20 5 DDBDRO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000599937113 358085364 /nfs/dbraw/zinc/08/53/64/358085364.db2.gz DTRFOQPGDIQBCH-GXTWGEPZSA-N 1 0 323.324 1.015 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)n1 ZINC000600470444 358233343 /nfs/dbraw/zinc/23/33/43/358233343.db2.gz OLHOWSIOBMQLBC-GFCCVEGCSA-N 1 0 321.381 1.558 20 5 DDBDRO C[C@@H]([NH3+])CCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000237332436 202235063 /nfs/dbraw/zinc/23/50/63/202235063.db2.gz HJIIAFCVKDSMSS-GFCCVEGCSA-N 1 0 306.366 1.371 20 5 DDBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@@H]1COCCN1)C1CC1 ZINC000600710811 358290540 /nfs/dbraw/zinc/29/05/40/358290540.db2.gz POEVIWSHDQJSCQ-HUUCEWRRSA-N 1 0 305.378 1.494 20 5 DDBDRO CC(C)[C@@H](CO)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000180617965 199185883 /nfs/dbraw/zinc/18/58/83/199185883.db2.gz CXFDYAXIACACIB-GFCCVEGCSA-N 1 0 315.757 1.793 20 5 DDBDRO CC(C)(C(=O)NCC[N@@H+]1CC[C@H](O)C1)c1ccccc1[N+](=O)[O-] ZINC000600808061 358320082 /nfs/dbraw/zinc/32/00/82/358320082.db2.gz HGSVJSABEVBWLB-LBPRGKRZSA-N 1 0 321.377 1.055 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000600808832 358320853 /nfs/dbraw/zinc/32/08/53/358320853.db2.gz SNTFYKWADJIZEK-ZDUSSCGKSA-N 1 0 321.377 1.316 20 5 DDBDRO CC[C@@H]1[C@@H](C(=O)NCCNc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000600961041 358358111 /nfs/dbraw/zinc/35/81/11/358358111.db2.gz KNTAYIQEUZCXLB-GXTWGEPZSA-N 1 0 320.393 1.853 20 5 DDBDRO CN(CCCN1CC[NH+](C)CC1)c1ncc(F)cc1[N+](=O)[O-] ZINC000601116395 358408912 /nfs/dbraw/zinc/40/89/12/358408912.db2.gz SRTNPSPZUYDANU-UHFFFAOYSA-N 1 0 311.361 1.203 20 5 DDBDRO COCC[N@H+](C)CCCNc1ccnc2ccc([N+](=O)[O-])cc21 ZINC000601104428 358403728 /nfs/dbraw/zinc/40/37/28/358403728.db2.gz WWDZEUPYCPSULY-UHFFFAOYSA-N 1 0 318.377 1.945 20 5 DDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CCC[C@](O)(C[NH+](C)C)C1 ZINC000601189789 358439891 /nfs/dbraw/zinc/43/98/91/358439891.db2.gz VMHYLZJXMYADJP-AWEZNQCLSA-N 1 0 311.386 1.013 20 5 DDBDRO CCOC(=O)c1ccnc(N2CC([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000601194372 358441485 /nfs/dbraw/zinc/44/14/85/358441485.db2.gz ZRPPCUKMBKFCEB-UHFFFAOYSA-N 1 0 320.349 1.451 20 5 DDBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000181066825 199247872 /nfs/dbraw/zinc/24/78/72/199247872.db2.gz VQYLMASHKWVQSF-NSHDSACASA-N 1 0 306.366 1.781 20 5 DDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000601555356 358599411 /nfs/dbraw/zinc/59/94/11/358599411.db2.gz FCJROHCELVHKFE-DZGCQCFKSA-N 1 0 303.362 1.738 20 5 DDBDRO O=C(C[N@@H+]1C[C@@H]2COC[C@@H]2C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000601973316 358760062 /nfs/dbraw/zinc/76/00/62/358760062.db2.gz JXZYDIMZPRFWOS-BETUJISGSA-N 1 0 317.345 1.062 20 5 DDBDRO CO[C@@H]1C[NH2+][C@](C)(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000602442784 358979111 /nfs/dbraw/zinc/97/91/11/358979111.db2.gz NHAXELLGLQSSOP-DGFSRKRXSA-N 1 0 307.350 1.539 20 5 DDBDRO [NH3+]CC12CC(C1)CN2C(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000602519782 359023609 /nfs/dbraw/zinc/02/36/09/359023609.db2.gz AFKOAIHGJWDYIP-UHFFFAOYSA-N 1 0 315.373 1.966 20 5 DDBDRO CC(C)c1ccc(C(=O)NC[C@H]2COCC[NH2+]2)cc1[N+](=O)[O-] ZINC000602549966 359040246 /nfs/dbraw/zinc/04/02/46/359040246.db2.gz GMKWNTVYTDIFGR-LBPRGKRZSA-N 1 0 307.350 1.436 20 5 DDBDRO CC(C)c1ccc(C(=O)N(C)CCOCC[NH3+])cc1[N+](=O)[O-] ZINC000602550606 359040505 /nfs/dbraw/zinc/04/05/05/359040505.db2.gz KHMZOHCFPBCNET-UHFFFAOYSA-N 1 0 309.366 1.766 20 5 DDBDRO CO[C@@]1(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)CCOC1 ZINC000602454053 358987782 /nfs/dbraw/zinc/98/77/82/358987782.db2.gz NUTSTIZNPOZYBO-MRXNPFEDSA-N 1 0 321.377 1.522 20 5 DDBDRO COC(=O)[C@@H]1CC12CC[NH+](Cc1cn(C)nc1[N+](=O)[O-])CC2 ZINC000602473624 359001601 /nfs/dbraw/zinc/00/16/01/359001601.db2.gz VLKOOICIUUNJRA-NSHDSACASA-N 1 0 308.338 1.103 20 5 DDBDRO Cn1cc(CN2CCO[C@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c([N+](=O)[O-])n1 ZINC000602488148 359012942 /nfs/dbraw/zinc/01/29/42/359012942.db2.gz SKAOFMDZLPETNX-RDBSUJKOSA-N 1 0 323.397 1.012 20 5 DDBDRO CCC(CC)(CC(=O)OC)[NH2+]CCn1c(C)ncc1[N+](=O)[O-] ZINC000602794052 359196703 /nfs/dbraw/zinc/19/67/03/359196703.db2.gz DNJMYZLOEZRIFL-UHFFFAOYSA-N 1 0 312.370 1.811 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H](OC(F)F)C1 ZINC000602809093 359205520 /nfs/dbraw/zinc/20/55/20/359205520.db2.gz YQXRPXUYBIQSKX-SNVBAGLBSA-N 1 0 304.297 1.803 20 5 DDBDRO CCCN(C(=O)Nc1c(C)cncc1[N+](=O)[O-])[C@@H]1CC[N@H+](C)C1 ZINC000602961592 359325225 /nfs/dbraw/zinc/32/52/25/359325225.db2.gz WJTKGAHDVBRHJL-GFCCVEGCSA-N 1 0 321.381 1.668 20 5 DDBDRO C[C@](CO)([NH2+]CCOC[C@@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000602965407 359329111 /nfs/dbraw/zinc/32/91/11/359329111.db2.gz FBGNILKLJHXNBB-JKSUJKDBSA-N 1 0 324.377 1.588 20 5 DDBDRO C[N@@H+]1CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C[C@@H]1C(C)(C)C ZINC000603143286 359432610 /nfs/dbraw/zinc/43/26/10/359432610.db2.gz SFFPBBSFUOOGHG-GFCCVEGCSA-N 1 0 322.365 1.498 20 5 DDBDRO CC[N@H+]1[C@H](C)CN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C[C@@H]1C ZINC000603145803 359434210 /nfs/dbraw/zinc/43/42/10/359434210.db2.gz PQPLEFKLGMIIJK-AOOOYVTPSA-N 1 0 308.338 1.250 20 5 DDBDRO C[C@@H](O)C[N@@H+]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000186944729 200035437 /nfs/dbraw/zinc/03/54/37/200035437.db2.gz OCWBEPSFWGQKRI-QWHCGFSZSA-N 1 0 321.377 1.051 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](O)[C@H](C)C1 ZINC000186858850 200023629 /nfs/dbraw/zinc/02/36/29/200023629.db2.gz XQEUANFUPUBRKP-DOMZBBRYSA-N 1 0 321.377 1.935 20 5 DDBDRO Cn1cc(CN2CC[C@H](C[NH3+])c3ccccc32)c([N+](=O)[O-])n1 ZINC000603427115 359634045 /nfs/dbraw/zinc/63/40/45/359634045.db2.gz BAOWUMZNRILFNU-LLVKDONJSA-N 1 0 301.350 1.781 20 5 DDBDRO Cn1cc(CN2C[C@@H](C[NH3+])Cc3ccccc32)c([N+](=O)[O-])n1 ZINC000603429659 359635154 /nfs/dbraw/zinc/63/51/54/359635154.db2.gz OIPCVAUNXLRNEO-LLVKDONJSA-N 1 0 301.350 1.466 20 5 DDBDRO CN(CC(=O)Nc1ccccc1[N+](=O)[O-])CC1([NH+](C)C)CCC1 ZINC000186953043 200037719 /nfs/dbraw/zinc/03/77/19/200037719.db2.gz JJAVVLZEJKSQNE-UHFFFAOYSA-N 1 0 320.393 1.949 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NC1(C[NH+](C)C)CCC1 ZINC000281014906 216023265 /nfs/dbraw/zinc/02/32/65/216023265.db2.gz FWRFZJVUKUHSNH-UHFFFAOYSA-N 1 0 307.350 1.818 20 5 DDBDRO C[NH+](C)[C@@H](CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)C1CC1 ZINC000603989619 359709152 /nfs/dbraw/zinc/70/91/52/359709152.db2.gz NIIIBCDUXCMSIT-LBPRGKRZSA-N 1 0 321.333 1.394 20 5 DDBDRO CCOc1ccc(C(=O)N[C@@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000604267969 359730935 /nfs/dbraw/zinc/73/09/35/359730935.db2.gz KCYGONHABKWOPT-GFCCVEGCSA-N 1 0 307.350 1.818 20 5 DDBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000237628677 202311226 /nfs/dbraw/zinc/31/12/26/202311226.db2.gz CHGKRPAKTUCZKN-QWRGUYRKSA-N 1 0 309.391 1.896 20 5 DDBDRO CC(C)[NH2+][C@H]1CCCN(c2ncc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000608778909 360240763 /nfs/dbraw/zinc/24/07/63/360240763.db2.gz CLINYGVAFHLCQF-JTQLQIEISA-N 1 0 307.354 1.056 20 5 DDBDRO C[N@@H+]1CCC[C@H](N2CCN(c3ccncc3[N+](=O)[O-])CC2)C1 ZINC000609675108 360344279 /nfs/dbraw/zinc/34/42/79/360344279.db2.gz VWRQGXQVULHGDU-ZDUSSCGKSA-N 1 0 305.382 1.206 20 5 DDBDRO O=[N+]([O-])c1ncccc1NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000609894046 360362228 /nfs/dbraw/zinc/36/22/28/360362228.db2.gz PLFZHKZYYMOHKW-LBPRGKRZSA-N 1 0 306.366 1.903 20 5 DDBDRO Cc1c([C@@H](C)[NH2+]CC(=O)N2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000610805630 360541610 /nfs/dbraw/zinc/54/16/10/360541610.db2.gz LKNVKQLSDCNLQC-CYBMUJFWSA-N 1 0 320.393 1.328 20 5 DDBDRO CC[N@@H+]1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000612030667 360895419 /nfs/dbraw/zinc/89/54/19/360895419.db2.gz WIWJMUGNOLWRJS-KBPBESRZSA-N 1 0 323.393 1.361 20 5 DDBDRO Cc1cc(NCCCN2CCNC(=O)C2)c(F)cc1[N+](=O)[O-] ZINC000292675741 223196665 /nfs/dbraw/zinc/19/66/65/223196665.db2.gz QRJCNLGQVCOMNS-UHFFFAOYSA-N 1 0 310.329 1.276 20 5 DDBDRO CC(C)C[NH+]1CCC(NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000193388651 201042281 /nfs/dbraw/zinc/04/22/81/201042281.db2.gz DJULYNDSTLLDNE-UHFFFAOYSA-N 1 0 322.365 1.546 20 5 DDBDRO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000193588530 201079572 /nfs/dbraw/zinc/07/95/72/201079572.db2.gz TWBUGTSGXWWGMR-QPUJVOFHSA-N 1 0 308.294 1.373 20 5 DDBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000195265657 201369686 /nfs/dbraw/zinc/36/96/86/201369686.db2.gz HFHNWMSINQGSPU-AOOOYVTPSA-N 1 0 307.375 1.608 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)COc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000579438172 422765245 /nfs/dbraw/zinc/76/52/45/422765245.db2.gz QJAQCVWIDSHYLH-YPMHNXCESA-N 1 0 305.334 1.136 20 5 DDBDRO Cc1c(C[NH2+]C[C@H]2CNc3ccnn3C2)cccc1[N+](=O)[O-] ZINC000619265767 363953617 /nfs/dbraw/zinc/95/36/17/363953617.db2.gz WGROYPKKHFOCJM-LBPRGKRZSA-N 1 0 301.350 1.931 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C2(c3cccc(F)c3)CC2)c1 ZINC000271783366 209211288 /nfs/dbraw/zinc/21/12/88/209211288.db2.gz LYQXYTYVURMCFU-AWEZNQCLSA-N 1 0 320.324 1.570 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@H]2CC[C@@H](CO)C2)c1 ZINC000566235650 304131771 /nfs/dbraw/zinc/13/17/71/304131771.db2.gz ZWEUYZLFTPXDTF-MBNYWOFBSA-N 1 0 310.350 1.085 20 5 DDBDRO C[NH+](C)C[C@H]1CCN(C(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000275178944 212176642 /nfs/dbraw/zinc/17/66/42/212176642.db2.gz DDILOJJEELCDBW-CYBMUJFWSA-N 1 0 320.393 1.730 20 5 DDBDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1cn[nH]c1 ZINC000275155031 212154920 /nfs/dbraw/zinc/15/49/20/212154920.db2.gz HNELKNZWZWWHPF-ZYHUDNBSSA-N 1 0 306.322 1.408 20 5 DDBDRO O=[N+]([O-])c1cccc(-c2noc(CN3C[C@H]4C[NH2+]C[C@H]4C3)n2)c1 ZINC000359287611 299396326 /nfs/dbraw/zinc/39/63/26/299396326.db2.gz YHCDMWKSWDSGIO-TXEJJXNPSA-N 1 0 315.333 1.296 20 5 DDBDRO C[C@H](CCN1CCOCC1)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000350286199 284178077 /nfs/dbraw/zinc/17/80/77/284178077.db2.gz KLBHJZUTLYRPGC-GFCCVEGCSA-N 1 0 311.357 1.934 20 5 DDBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000350596974 284218990 /nfs/dbraw/zinc/21/89/90/284218990.db2.gz IQFYDPRLXVCDFB-JTQLQIEISA-N 1 0 307.354 1.034 20 5 DDBDRO COC(=O)c1cc(C(=O)N[C@@H](C)CC[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000264912561 204263256 /nfs/dbraw/zinc/26/32/56/204263256.db2.gz NUAGOLBQBGSURQ-JTQLQIEISA-N 1 0 323.349 1.451 20 5 DDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CC[NH+](C2CCC2)CC1 ZINC000264952114 204298757 /nfs/dbraw/zinc/29/87/57/204298757.db2.gz KELXCYDMHYRWJS-UHFFFAOYSA-N 1 0 303.362 1.834 20 5 DDBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000271721726 209156612 /nfs/dbraw/zinc/15/66/12/209156612.db2.gz WTRYTOLNWRZXNM-IUODEOHRSA-N 1 0 304.350 1.811 20 5 DDBDRO C[N@H+](CCCn1ccnc1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000271684223 209124858 /nfs/dbraw/zinc/12/48/58/209124858.db2.gz KLFMPZWVTAARAW-HNNXBMFYSA-N 1 0 304.350 1.847 20 5 DDBDRO [NH3+]CC1CCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000036296697 182814013 /nfs/dbraw/zinc/81/40/13/182814013.db2.gz XBICYVQIMWMBTF-UHFFFAOYSA-N 1 0 313.379 1.095 20 5 DDBDRO CCc1ccc(S(=O)(=O)NCC(C)(C)[NH3+])cc1[N+](=O)[O-] ZINC000567351264 304213495 /nfs/dbraw/zinc/21/34/95/304213495.db2.gz CMIPIVFWYABQNP-UHFFFAOYSA-N 1 0 301.368 1.173 20 5 DDBDRO C[C@@H](CC[NH+](C)C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000273962448 211219397 /nfs/dbraw/zinc/21/93/97/211219397.db2.gz ODTHXYIYBOIETI-JTQLQIEISA-N 1 0 301.368 1.213 20 5 DDBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCN1CCCOCC1 ZINC000567406528 304217888 /nfs/dbraw/zinc/21/78/88/304217888.db2.gz LEZBUPLKZHCCGD-OAHLLOKOSA-N 1 0 305.378 1.894 20 5 DDBDRO C[C@H]1CCC[C@](CNC(=O)c2cc([N+](=O)[O-])n[nH]2)([NH+](C)C)C1 ZINC000285182686 218324191 /nfs/dbraw/zinc/32/41/91/218324191.db2.gz STZCXAKMFNZYEJ-HZMBPMFUSA-N 1 0 309.370 1.558 20 5 DDBDRO CC(C)[N@H+](C[C@H](C)O)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000340792997 251215034 /nfs/dbraw/zinc/21/50/34/251215034.db2.gz RSKKZYYRHIROAK-JSGCOSHPSA-N 1 0 312.366 1.426 20 5 DDBDRO [NH3+]CCCNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000269130415 207265115 /nfs/dbraw/zinc/26/51/15/207265115.db2.gz NYSVLEZITBWBTB-UHFFFAOYSA-N 1 0 302.128 1.436 20 5 DDBDRO C[C@H](NC(=O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000269168420 207290341 /nfs/dbraw/zinc/29/03/41/207290341.db2.gz DQEFHXHTDCDUPD-NWDGAFQWSA-N 1 0 307.350 1.478 20 5 DDBDRO C[C@@H]1CN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000269223427 207344585 /nfs/dbraw/zinc/34/45/85/207344585.db2.gz SHBWTLLEIHJPEQ-VXGBXAGGSA-N 1 0 306.366 1.227 20 5 DDBDRO C[NH+](C)C[C@H]1CCN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1 ZINC000113247722 194571532 /nfs/dbraw/zinc/57/15/32/194571532.db2.gz ABDNTTMIKRGDQN-LLVKDONJSA-N 1 0 318.377 1.867 20 5 DDBDRO CO[C@@H]1[C@@H](C)[C@@H]([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)C1(C)C ZINC000295833060 532975765 /nfs/dbraw/zinc/97/57/65/532975765.db2.gz CSJPTCWKYDKNJH-ZLKJLUDKSA-N 1 0 309.366 1.406 20 5 DDBDRO COC(=O)c1cc(C)nc(NCC[N@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000288638563 220312871 /nfs/dbraw/zinc/31/28/71/220312871.db2.gz YYAVODDCDWFQCP-UHFFFAOYSA-N 1 0 308.338 1.591 20 5 DDBDRO CC(C)[C@@H](CO)[NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000156315618 197103426 /nfs/dbraw/zinc/10/34/26/197103426.db2.gz LCQJHNIRVDZGGA-LLVKDONJSA-N 1 0 315.757 1.793 20 5 DDBDRO C[C@@H]([NH2+]CCCn1cc(CO)nn1)c1ccc([N+](=O)[O-])cc1 ZINC000289778671 221218749 /nfs/dbraw/zinc/21/87/49/221218749.db2.gz MORWUAYDTQUPMI-LLVKDONJSA-N 1 0 305.338 1.420 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000414655714 533226325 /nfs/dbraw/zinc/22/63/25/533226325.db2.gz LPIVDMMYQUJOQD-QWRGUYRKSA-N 1 0 320.349 1.677 20 5 DDBDRO C[C@@H]1C[C@@H](NC(=O)CN(C)c2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000330923163 533604519 /nfs/dbraw/zinc/60/45/19/533604519.db2.gz SGBLICMNESKOFL-OLZOCXBDSA-N 1 0 320.393 1.630 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@H]2CCN(C3CC3)C2)c1 ZINC000569449372 304354418 /nfs/dbraw/zinc/35/44/18/304354418.db2.gz KFDGLYZOTWJZRL-SWLSCSKDSA-N 1 0 321.377 1.161 20 5 DDBDRO C[NH2+]CCCNS(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000036298076 406978435 /nfs/dbraw/zinc/97/84/35/406978435.db2.gz CXDVMJCCASRDSN-UHFFFAOYSA-N 1 0 301.368 1.099 20 5 DDBDRO CC(C)[NH+]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000075635413 406938047 /nfs/dbraw/zinc/93/80/47/406938047.db2.gz RXIMSDMBYUWUMC-UHFFFAOYSA-N 1 0 320.393 1.949 20 5 DDBDRO CC(C)[C@H](CNc1ccc([N+](=O)[O-])cn1)[NH+]1CCN(C)CC1 ZINC000045851958 407050809 /nfs/dbraw/zinc/05/08/09/407050809.db2.gz HWRDMZWKDAJWOC-AWEZNQCLSA-N 1 0 307.398 1.674 20 5 DDBDRO CC[N@H+](C)CCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000049320564 407118155 /nfs/dbraw/zinc/11/81/55/407118155.db2.gz YMNQUBPXKFJLTO-UHFFFAOYSA-N 1 0 301.368 1.362 20 5 DDBDRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000046948462 407067705 /nfs/dbraw/zinc/06/77/05/407067705.db2.gz HQIAWYHDEZVCLG-ZDUSSCGKSA-N 1 0 320.393 1.351 20 5 DDBDRO Cc1c(CN2CCN(C(=O)C[NH+](C)C)CC2)cccc1[N+](=O)[O-] ZINC000051763402 407142817 /nfs/dbraw/zinc/14/28/17/407142817.db2.gz NBAYJGFPYNIRMP-UHFFFAOYSA-N 1 0 320.393 1.109 20 5 DDBDRO COCCCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000056196113 407208910 /nfs/dbraw/zinc/20/89/10/407208910.db2.gz UMJLKKMALZORAZ-NWDGAFQWSA-N 1 0 309.366 1.787 20 5 DDBDRO CC[N@@H+]1CCCC[C@@H]1C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000067709385 407281419 /nfs/dbraw/zinc/28/14/19/407281419.db2.gz MQWUQHRQYJEQOQ-OAHLLOKOSA-N 1 0 320.393 1.997 20 5 DDBDRO C[NH+]1CCC(NS(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000098117538 407305837 /nfs/dbraw/zinc/30/58/37/407305837.db2.gz ZFWQCHZWZVWFTH-UHFFFAOYSA-N 1 0 305.381 1.029 20 5 DDBDRO CCCC[N@H+](CCOC)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000109333711 407397685 /nfs/dbraw/zinc/39/76/85/407397685.db2.gz WLHDNGVUFSCAID-UHFFFAOYSA-N 1 0 309.366 1.942 20 5 DDBDRO CC[C@H](C)[N@H+](C)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000185766193 407496627 /nfs/dbraw/zinc/49/66/27/407496627.db2.gz DSLONXRDFORPEW-NSHDSACASA-N 1 0 315.395 1.603 20 5 DDBDRO COC[C@H]1CCC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000112991254 407455228 /nfs/dbraw/zinc/45/52/28/407455228.db2.gz RXRDTFGXKQPDQQ-ZFWWWQNUSA-N 1 0 324.377 1.693 20 5 DDBDRO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261608979 407551949 /nfs/dbraw/zinc/55/19/49/407551949.db2.gz DNFMAYATXSKMDA-MWLCHTKSSA-N 1 0 309.753 1.930 20 5 DDBDRO O=C(NC[C@@H]1CCC[NH2+]1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000178738314 407575615 /nfs/dbraw/zinc/57/56/15/407575615.db2.gz USLZGXJHICRCKD-ZDUSSCGKSA-N 1 0 318.377 1.677 20 5 DDBDRO COc1ccc(NC(=O)C[N@H+](C)C[C@H]2CCOC2)c([N+](=O)[O-])c1 ZINC000178759876 407589685 /nfs/dbraw/zinc/58/96/85/407589685.db2.gz HBZNDXINLIZGQR-LLVKDONJSA-N 1 0 323.349 1.510 20 5 DDBDRO COc1cc(NC[C@](C)(O)C[NH+](C)C)c(F)cc1[N+](=O)[O-] ZINC000218874459 407524910 /nfs/dbraw/zinc/52/49/10/407524910.db2.gz BVCBISDNCZTULS-ZDUSSCGKSA-N 1 0 301.318 1.467 20 5 DDBDRO CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000178679145 407542411 /nfs/dbraw/zinc/54/24/11/407542411.db2.gz UFZIJWHKQHTRHZ-WDEREUQCSA-N 1 0 322.365 1.788 20 5 DDBDRO Cc1cc(C(=O)N2CCC([C@H](C)[NH3+])CC2)c(N)c([N+](=O)[O-])c1 ZINC000178842797 407622104 /nfs/dbraw/zinc/62/21/04/407622104.db2.gz JTUANDRCRDAFMV-JTQLQIEISA-N 1 0 306.366 1.685 20 5 DDBDRO CCCN(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[C@H]1CC[NH2+]C1 ZINC000178902521 407647407 /nfs/dbraw/zinc/64/74/07/407647407.db2.gz NQQPLEPSMVUMIA-NSHDSACASA-N 1 0 322.321 1.717 20 5 DDBDRO Cc1ccc(CN2CC[NH2+]C[C@@H]2c2nccn2C)cc1[N+](=O)[O-] ZINC000261931315 407678056 /nfs/dbraw/zinc/67/80/56/407678056.db2.gz CTIYCEXXFZNOFA-OAHLLOKOSA-N 1 0 315.377 1.783 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000261960788 407691635 /nfs/dbraw/zinc/69/16/35/407691635.db2.gz XSRTXXNPWHVHIY-CYBMUJFWSA-N 1 0 318.377 1.023 20 5 DDBDRO CO[C@H]1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000262302698 407789991 /nfs/dbraw/zinc/78/99/91/407789991.db2.gz OUDRFWALLDRAOX-STQMWFEESA-N 1 0 307.350 1.102 20 5 DDBDRO COC(=O)c1cc(NC(=O)[C@@H]2CCC[C@@H]2[NH3+])cc([N+](=O)[O-])c1 ZINC000237185969 407804406 /nfs/dbraw/zinc/80/44/06/407804406.db2.gz FCLCJDSRULEETQ-NEPJUHHUSA-N 1 0 307.306 1.447 20 5 DDBDRO C[NH+](C)C[C@@H]1CCCN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000268072127 407877290 /nfs/dbraw/zinc/87/72/90/407877290.db2.gz ATRFJVGVPSQLFN-LBPRGKRZSA-N 1 0 307.350 1.526 20 5 DDBDRO C[C@@H]([NH2+]CC(=O)NC1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000180437386 407889149 /nfs/dbraw/zinc/88/91/49/407889149.db2.gz ITSCJXXFNOPRGU-LLVKDONJSA-N 1 0 307.350 1.541 20 5 DDBDRO O=C(CCn1cc([N+](=O)[O-])cn1)N1CCC([NH2+]CC2CC2)CC1 ZINC000238090275 407889319 /nfs/dbraw/zinc/88/93/19/407889319.db2.gz IAJOMSAIIQPPHW-UHFFFAOYSA-N 1 0 321.381 1.172 20 5 DDBDRO C[N@@H+]1CC[C@@H](CNC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C1 ZINC000272528858 407965362 /nfs/dbraw/zinc/96/53/62/407965362.db2.gz MHBZSHWHVNRPJA-QMMMGPOBSA-N 1 0 321.362 1.281 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)NC[C@@H]2CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000118494665 407920653 /nfs/dbraw/zinc/92/06/53/407920653.db2.gz WUBQLYLMQQJZNM-JTQLQIEISA-N 1 0 322.321 1.493 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000268278939 407982205 /nfs/dbraw/zinc/98/22/05/407982205.db2.gz WUSBWOKCUIEELZ-GXFFZTMASA-N 1 0 321.381 1.089 20 5 DDBDRO C[C@@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000262808389 407941525 /nfs/dbraw/zinc/94/15/25/407941525.db2.gz XLJUSXMCDGCPNC-MFKMUULPSA-N 1 0 313.379 1.012 20 5 DDBDRO Cc1nc(NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000268439319 408045121 /nfs/dbraw/zinc/04/51/21/408045121.db2.gz CRWVLEBJWQRRHS-HNNXBMFYSA-N 1 0 321.425 1.982 20 5 DDBDRO C[N@@H+](CCc1ccncc1)CCn1cc([N+](=O)[O-])ccc1=O ZINC000181447443 407998944 /nfs/dbraw/zinc/99/89/44/407998944.db2.gz ZFTOWXABQFGYJE-UHFFFAOYSA-N 1 0 302.334 1.326 20 5 DDBDRO C[N@@H+]1CCC[C@@H]2CN(CCn3cc([N+](=O)[O-])ccc3=O)CC[C@H]21 ZINC000245579887 408022986 /nfs/dbraw/zinc/02/29/86/408022986.db2.gz IHEYZFTXTUANNS-UKRRQHHQSA-N 1 0 320.393 1.173 20 5 DDBDRO C[N@@H+]1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C(C)(C)C1 ZINC000273098091 408056300 /nfs/dbraw/zinc/05/63/00/408056300.db2.gz DQGGPJRCOLHZJQ-ZDUSSCGKSA-N 1 0 323.393 1.361 20 5 DDBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1OC[C@@H]1C[NH2+]CCO1 ZINC000149378555 408192795 /nfs/dbraw/zinc/19/27/95/408192795.db2.gz YGKKSJWKICENHQ-VIFPVBQESA-N 1 0 306.240 1.981 20 5 DDBDRO O=C(c1n[nH]cc1[N+](=O)[O-])N1CCC([NH2+]C2CCCC2)CC1 ZINC000155160768 408130100 /nfs/dbraw/zinc/13/01/00/408130100.db2.gz AXFZKVDNNXILFB-UHFFFAOYSA-N 1 0 307.354 1.455 20 5 DDBDRO C[NH+](C)CCOc1ccc(NC(=O)c2n[nH]cc2[N+](=O)[O-])cc1 ZINC000137543376 408158393 /nfs/dbraw/zinc/15/83/93/408158393.db2.gz IHIKVOWCEGENQA-UHFFFAOYSA-N 1 0 319.321 1.511 20 5 DDBDRO CCC([NH3+])(CC)CNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000138081892 408165385 /nfs/dbraw/zinc/16/53/85/408165385.db2.gz OGEJATFMSWMAOY-UHFFFAOYSA-N 1 0 315.395 1.928 20 5 DDBDRO COCCOCC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000175683175 408183792 /nfs/dbraw/zinc/18/37/92/408183792.db2.gz NKZZTASGMZORGP-LBPRGKRZSA-N 1 0 310.354 1.139 20 5 DDBDRO C[C@@H](CNC(=O)c1csc([N+](=O)[O-])c1)N1CC[NH+](C)CC1 ZINC000263746024 408237915 /nfs/dbraw/zinc/23/79/15/408237915.db2.gz JDYRBKZYWHFAOS-JTQLQIEISA-N 1 0 312.395 1.022 20 5 DDBDRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNc1ncccc1[N+](=O)[O-] ZINC000263753846 408240507 /nfs/dbraw/zinc/24/05/07/408240507.db2.gz TUDJXGSXHTVBLE-CYBMUJFWSA-N 1 0 321.381 1.344 20 5 DDBDRO CC(C)(O)[C@@H]1CCC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000246280421 408204938 /nfs/dbraw/zinc/20/49/38/408204938.db2.gz NLYGOXXKLVNOLB-HIFRSBDPSA-N 1 0 324.377 1.570 20 5 DDBDRO C[C@H]1CCCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)[C@@H]1C[NH3+] ZINC000156654625 408270793 /nfs/dbraw/zinc/27/07/93/408270793.db2.gz FIMBZDGVSAXHPG-TVQRCGJNSA-N 1 0 317.349 1.671 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC[C@H]1CCC[NH2+]1 ZINC000166802979 162168529 /nfs/dbraw/zinc/16/85/29/162168529.db2.gz RYDLBIPMPGQASN-LLVKDONJSA-N 1 0 313.379 1.324 20 5 DDBDRO O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000170736943 162189607 /nfs/dbraw/zinc/18/96/07/162189607.db2.gz LWHXJQOHLWBHPU-SNVBAGLBSA-N 1 0 306.322 1.006 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000173053005 162320916 /nfs/dbraw/zinc/32/09/16/162320916.db2.gz SHLUGRSMNBBBIJ-SNVBAGLBSA-N 1 0 311.386 1.192 20 5 DDBDRO CNC(=O)CC1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000269668993 408385264 /nfs/dbraw/zinc/38/52/64/408385264.db2.gz UCWYLBBMAUNVLZ-OAHLLOKOSA-N 1 0 321.377 1.476 20 5 DDBDRO Cc1c(CC(=O)N2CCC[C@@H]2C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000269658972 408379412 /nfs/dbraw/zinc/37/94/12/408379412.db2.gz FVBIENKADCZFPY-CQSZACIVSA-N 1 0 305.378 1.998 20 5 DDBDRO COCCN(CC[NH+](C)C)C(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000264173350 408389882 /nfs/dbraw/zinc/38/98/82/408389882.db2.gz LFHDJZJLFAMKRF-UHFFFAOYSA-N 1 0 309.366 1.553 20 5 DDBDRO CN(CC[NH+](C)C)C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000270356885 408503680 /nfs/dbraw/zinc/50/36/80/408503680.db2.gz JFXWEMALTGPXJI-UHFFFAOYSA-N 1 0 304.350 1.639 20 5 DDBDRO COc1ccc(C(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000177130306 408528336 /nfs/dbraw/zinc/52/83/36/408528336.db2.gz DECHSJVQDGHIHW-JQWIXIFHSA-N 1 0 319.361 1.958 20 5 DDBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000176866506 408462078 /nfs/dbraw/zinc/46/20/78/408462078.db2.gz FGQZCAKNIMSQHN-PWSUYJOCSA-N 1 0 306.366 1.589 20 5 DDBDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000160308082 408467028 /nfs/dbraw/zinc/46/70/28/408467028.db2.gz QNVSXVPTMMNNRV-LBPRGKRZSA-N 1 0 307.350 1.171 20 5 DDBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])cnc1N)[N@@H+]1CCC[C@H](C)C1 ZINC000248438759 408566318 /nfs/dbraw/zinc/56/63/18/408566318.db2.gz TWUVZLYIPOEJHV-WDEREUQCSA-N 1 0 321.381 1.422 20 5 DDBDRO CCCc1n[nH]c(C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000177144799 408533225 /nfs/dbraw/zinc/53/32/25/408533225.db2.gz YYCGSTDKPLKFKD-NXEZZACHSA-N 1 0 321.381 1.625 20 5 DDBDRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000160874249 408535166 /nfs/dbraw/zinc/53/51/66/408535166.db2.gz AOMQAEYXTOARRG-BDAKNGLRSA-N 1 0 303.322 1.471 20 5 DDBDRO Cc1nn(C)c(C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000265297302 408605700 /nfs/dbraw/zinc/60/57/00/408605700.db2.gz LNJCFHLJCWLTCP-NSHDSACASA-N 1 0 309.370 1.051 20 5 DDBDRO COC(=O)[C@@]1(C)CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000177470800 408630334 /nfs/dbraw/zinc/63/03/34/408630334.db2.gz BZCHWPWFIKHAMC-HNNXBMFYSA-N 1 0 308.334 1.859 20 5 DDBDRO CC(C)[C@@H](CCO)[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000161832707 408644995 /nfs/dbraw/zinc/64/49/95/408644995.db2.gz DOYJAHSYLZIEKO-CQSZACIVSA-N 1 0 321.377 1.481 20 5 DDBDRO CCS(=O)(=O)CC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192814063 408656998 /nfs/dbraw/zinc/65/69/98/408656998.db2.gz FNMAKJBSTJCNES-CQSZACIVSA-N 1 0 312.391 1.997 20 5 DDBDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000177584765 408664260 /nfs/dbraw/zinc/66/42/60/408664260.db2.gz FBANVWHJCYUWRR-NEPJUHHUSA-N 1 0 309.370 1.170 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000178209620 408788132 /nfs/dbraw/zinc/78/81/32/408788132.db2.gz GMIPOTMDDMZBRU-VIFPVBQESA-N 1 0 303.322 1.758 20 5 DDBDRO CC[C@@H]1CN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@H]1O ZINC000270942887 408751227 /nfs/dbraw/zinc/75/12/27/408751227.db2.gz RSFKXYPVNIOLCV-ZWNOBZJWSA-N 1 0 318.333 1.848 20 5 DDBDRO CN(CC[NH+](C)C)c1c(Br)cncc1[N+](=O)[O-] ZINC000270947955 408755260 /nfs/dbraw/zinc/75/52/60/408755260.db2.gz LGCJUHJKILKOEU-UHFFFAOYSA-N 1 0 303.160 1.750 20 5 DDBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000249760466 408765077 /nfs/dbraw/zinc/76/50/77/408765077.db2.gz XOGZHPKFVRGPIG-RYUDHWBXSA-N 1 0 309.370 1.028 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H](CCO)c2ccco2)c1 ZINC000185124695 408765638 /nfs/dbraw/zinc/76/56/38/408765638.db2.gz MQQJJFKFCHTZCQ-ZIAGYGMSSA-N 1 0 306.318 1.935 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3N)[C@@H]2C1 ZINC000276337659 408839071 /nfs/dbraw/zinc/83/90/71/408839071.db2.gz HOPWYXVSVWSKNP-QMTHXVAHSA-N 1 0 304.350 1.343 20 5 DDBDRO Nc1ccc(C(=O)N(C[C@H]2CCC[NH2+]2)C2CC2)cc1[N+](=O)[O-] ZINC000186496352 162978408 /nfs/dbraw/zinc/97/84/08/162978408.db2.gz IBSYIZWCKQFEDU-LLVKDONJSA-N 1 0 304.350 1.534 20 5 DDBDRO O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1CCC([NH+]2CCCC2)CC1 ZINC000187073708 163003996 /nfs/dbraw/zinc/00/39/96/163003996.db2.gz JRWPLGHDXFXYQZ-UHFFFAOYSA-N 1 0 320.349 1.396 20 5 DDBDRO CCc1ccc(C(=O)N2CCN(CCO)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000188741992 163065199 /nfs/dbraw/zinc/06/51/99/163065199.db2.gz XLSTUWRODIBOIX-GFCCVEGCSA-N 1 0 321.377 1.296 20 5 DDBDRO Cn1cc(C[N@H+](C)CCCO)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000281740243 408920907 /nfs/dbraw/zinc/92/09/07/408920907.db2.gz JXXLSHFPFVCPLA-UHFFFAOYSA-N 1 0 304.350 1.810 20 5 DDBDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000286086493 408921793 /nfs/dbraw/zinc/92/17/93/408921793.db2.gz SQFNFZUMEKGCMO-NSHDSACASA-N 1 0 323.397 1.948 20 5 DDBDRO Nc1ccc(N2CCC[C@H](C[NH+]3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000286425931 408982947 /nfs/dbraw/zinc/98/29/47/408982947.db2.gz LHLHFJWNAUHNHF-CYBMUJFWSA-N 1 0 320.393 1.726 20 5 DDBDRO [NH3+]CC[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000282074683 408985552 /nfs/dbraw/zinc/98/55/52/408985552.db2.gz XCOWAKOEFHKPMW-JTQLQIEISA-N 1 0 322.321 1.704 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000282107282 408992524 /nfs/dbraw/zinc/99/25/24/408992524.db2.gz ZYHCCFRVUZGHGH-LBPRGKRZSA-N 1 0 320.393 1.862 20 5 DDBDRO CC[N@@H+]1CCCN(c2nc(C(=O)OC)ccc2[N+](=O)[O-])CC1 ZINC000286651241 408992818 /nfs/dbraw/zinc/99/28/18/408992818.db2.gz DRAHNFCNDBWJNI-UHFFFAOYSA-N 1 0 308.338 1.308 20 5 DDBDRO CO[C@@H]1CC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000282271336 409024184 /nfs/dbraw/zinc/02/41/84/409024184.db2.gz HPWSVYHUXSHRAZ-BPLDGKMQSA-N 1 0 324.377 1.834 20 5 DDBDRO C[C@H]([NH2+][C@H]1CCOC[C@H]1C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000277900430 409032092 /nfs/dbraw/zinc/03/20/92/409032092.db2.gz OXZJRPDDRNPVKG-SUNKGSAMSA-N 1 0 307.350 1.936 20 5 DDBDRO COC(=O)c1cc(C)nc(NC[C@@H](C)[N@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000287831237 409101399 /nfs/dbraw/zinc/10/13/99/409101399.db2.gz KSLNIWWPIUBWHD-SNVBAGLBSA-N 1 0 322.365 1.979 20 5 DDBDRO C[C@@H]([NH2+]CCCN1CCOC1=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293583766 409141770 /nfs/dbraw/zinc/14/17/70/409141770.db2.gz FANAJGKIWNJMBG-SNVBAGLBSA-N 1 0 308.338 1.670 20 5 DDBDRO C[C@H](C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)N1CC[NH+](C)CC1 ZINC000293872854 409198307 /nfs/dbraw/zinc/19/83/07/409198307.db2.gz VACFQQYKYWAMPZ-OLZOCXBDSA-N 1 0 321.425 1.464 20 5 DDBDRO C[NH+]1CCC(CCNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1 ZINC000283608341 409184614 /nfs/dbraw/zinc/18/46/14/409184614.db2.gz ZDUQNRBQUIKSIY-UHFFFAOYSA-N 1 0 324.356 1.778 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]([NH+](C)C)C2)c1 ZINC000283855821 409228823 /nfs/dbraw/zinc/22/88/23/409228823.db2.gz HESCFZYGSJXSLF-NSHDSACASA-N 1 0 307.350 1.770 20 5 DDBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000279384983 409203720 /nfs/dbraw/zinc/20/37/20/409203720.db2.gz IFOOUWFPUJDSPL-JTQLQIEISA-N 1 0 324.356 1.730 20 5 DDBDRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)CC2 ZINC000284108252 409277170 /nfs/dbraw/zinc/27/71/70/409277170.db2.gz NFLCIBYGDZCHFD-JOYOIKCWSA-N 1 0 316.365 1.743 20 5 DDBDRO COC(=O)C[C@@H]1CC[C@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)[C@H]1C ZINC000280322255 409292633 /nfs/dbraw/zinc/29/26/33/409292633.db2.gz PNAGNIGMUIQDEZ-GVXVVHGQSA-N 1 0 310.354 1.359 20 5 DDBDRO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000321308458 164044041 /nfs/dbraw/zinc/04/40/41/164044041.db2.gz CRQAVIMZPOZAPU-YPMHNXCESA-N 1 0 318.377 1.876 20 5 DDBDRO COC(=O)COc1ccc(C[NH2+]C[C@@H](O)C2CC2)cc1[N+](=O)[O-] ZINC000348999187 409640149 /nfs/dbraw/zinc/64/01/49/409640149.db2.gz DYSZKBHEEUHDQL-CYBMUJFWSA-N 1 0 324.333 1.007 20 5 DDBDRO COc1ccc(C[N@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000304323871 409605839 /nfs/dbraw/zinc/60/58/39/409605839.db2.gz MRDVLYVDTHDXKE-AWEZNQCLSA-N 1 0 320.349 1.293 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000342451396 409642316 /nfs/dbraw/zinc/64/23/16/409642316.db2.gz PAVZHJAPORMNHZ-LKFCYVNXSA-N 1 0 304.350 1.511 20 5 DDBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H](O)C1CC1 ZINC000349015558 409648733 /nfs/dbraw/zinc/64/87/33/409648733.db2.gz YKWOZZRBLYWQRN-QMTHXVAHSA-N 1 0 307.350 1.672 20 5 DDBDRO CN1CC[N@H+](C)C[C@H]1CNc1nccc2cc([N+](=O)[O-])ccc21 ZINC000296971627 409737141 /nfs/dbraw/zinc/73/71/41/409737141.db2.gz DDMBFXDHPSLTOB-CQSZACIVSA-N 1 0 315.377 1.801 20 5 DDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357078623 409849873 /nfs/dbraw/zinc/84/98/73/409849873.db2.gz RKDNZEIVKUJFOW-JHJVBQTASA-N 1 0 318.377 1.463 20 5 DDBDRO CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000354523324 409918132 /nfs/dbraw/zinc/91/81/32/409918132.db2.gz WTSXUCGTYYGEMC-CYBMUJFWSA-N 1 0 317.349 2.284 20 5 DDBDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)c2nn(C)cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000346254933 409877943 /nfs/dbraw/zinc/87/79/43/409877943.db2.gz HSTLVKNXIPQTTC-QJPTWQEYSA-N 1 0 321.381 1.131 20 5 DDBDRO Cc1nc(N(C)CC2CC[NH+](C[C@@H](C)O)CC2)ncc1[N+](=O)[O-] ZINC000297263856 409884486 /nfs/dbraw/zinc/88/44/86/409884486.db2.gz WFBINWFEOHTOCF-LLVKDONJSA-N 1 0 323.397 1.222 20 5 DDBDRO O=[N+]([O-])c1ccc(NC2CC[NH+](C[C@@H]3CCOC3)CC2)cn1 ZINC000346459095 409967853 /nfs/dbraw/zinc/96/78/53/409967853.db2.gz XIYFBIUGKREYOZ-LBPRGKRZSA-N 1 0 306.366 1.903 20 5 DDBDRO COCCC[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000339176297 410066271 /nfs/dbraw/zinc/06/62/71/410066271.db2.gz RUSFZUDRUSOTQJ-UHFFFAOYSA-N 1 0 310.354 1.154 20 5 DDBDRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000346725142 410115574 /nfs/dbraw/zinc/11/55/74/410115574.db2.gz YFTUROKZUQSQNO-HNNXBMFYSA-N 1 0 321.377 1.778 20 5 DDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)NC1CC[NH+](C2CC2)CC1 ZINC000298219963 410139752 /nfs/dbraw/zinc/13/97/52/410139752.db2.gz VXQCMMHYKRHZIM-UHFFFAOYSA-N 1 0 303.362 1.880 20 5 DDBDRO CN(C)C(=O)NCC[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000355051444 410269879 /nfs/dbraw/zinc/26/98/79/410269879.db2.gz NNQOFZWJIRZJPP-UHFFFAOYSA-N 1 0 310.354 1.177 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@H](C)[NH+](C)[C@@H](C)C1 ZINC000339616243 410331583 /nfs/dbraw/zinc/33/15/83/410331583.db2.gz ZXIDNLPDTBWHKL-STQMWFEESA-N 1 0 320.393 1.866 20 5 DDBDRO CC[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CCOCC1 ZINC000343394533 410421131 /nfs/dbraw/zinc/42/11/31/410421131.db2.gz ZYSOKLFMIGBHSC-CQSZACIVSA-N 1 0 321.377 1.989 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N(CC[NH+](C)C)C1CCCCC1 ZINC000347237275 410408822 /nfs/dbraw/zinc/40/88/22/410408822.db2.gz PFAFHSVOMMKLOA-UHFFFAOYSA-N 1 0 323.397 1.665 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCOC[C@@H]2CC2CCC2)c1 ZINC000339781480 410455837 /nfs/dbraw/zinc/45/58/37/410455837.db2.gz YDYPPRRCIMALAK-DZGCQCFKSA-N 1 0 324.381 1.043 20 5 DDBDRO COc1c(C(=O)N[C@@H]2CCc3[nH]cnc3C2)cccc1[N+](=O)[O-] ZINC000358400027 410460583 /nfs/dbraw/zinc/46/05/83/410460583.db2.gz VYQLIMAVNYBWMU-SECBINFHSA-N 1 0 316.317 1.614 20 5 DDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CCC[N@H+](C)[C@@H]1C ZINC000343457052 410468907 /nfs/dbraw/zinc/46/89/07/410468907.db2.gz KOYBYCNWNJOCKQ-MFKMUULPSA-N 1 0 306.366 1.849 20 5 DDBDRO COc1cc(C(=O)N[C@H]2CCC[N@H+](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000343462142 410470884 /nfs/dbraw/zinc/47/08/84/410470884.db2.gz SVSKYJSTVGPQLM-JQWIXIFHSA-N 1 0 307.350 1.816 20 5 DDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H]1CCC[N@H+]1C ZINC000299213212 410571612 /nfs/dbraw/zinc/57/16/12/410571612.db2.gz FCXIBGVBDHIYRP-NSHDSACASA-N 1 0 313.379 1.276 20 5 DDBDRO Cn1c(C(=O)NCC(C)(C)[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000330393086 410664426 /nfs/dbraw/zinc/66/44/26/410664426.db2.gz JZHJJFBEFHQDNF-UHFFFAOYSA-N 1 0 308.382 1.928 20 5 DDBDRO CC[NH+](CC)CCS(=O)(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000352316010 410617086 /nfs/dbraw/zinc/61/70/86/410617086.db2.gz YSMHBSZPQQPIQT-UHFFFAOYSA-N 1 0 315.395 1.356 20 5 DDBDRO CCN1CC[NH+](C[C@H](C)CNc2c([N+](=O)[O-])c(C)nn2C)CC1 ZINC000301296404 410693325 /nfs/dbraw/zinc/69/33/25/410693325.db2.gz SHNKJUOUYMRSQE-GFCCVEGCSA-N 1 0 324.429 1.322 20 5 DDBDRO Cc1nn(C)c(N2CCC([N@H+]3CCO[C@@H](C)C3)CC2)c1[N+](=O)[O-] ZINC000301306381 410697267 /nfs/dbraw/zinc/69/72/67/410697267.db2.gz YLVZKVVEICRMFB-NSHDSACASA-N 1 0 323.397 1.326 20 5 DDBDRO CNC(=O)c1ccc(N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000301430496 410720672 /nfs/dbraw/zinc/72/06/72/410720672.db2.gz QEUQLFADGMXJQH-WCQYABFASA-N 1 0 320.393 1.873 20 5 DDBDRO O=[N+]([O-])c1ccc(OC(F)F)c(CN2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000359474763 410680741 /nfs/dbraw/zinc/68/07/41/410680741.db2.gz QRWBUGNOLMZSGI-PHIMTYICSA-N 1 0 313.304 1.847 20 5 DDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1C[C@@H](SC)[C@H]([NH+](C)C)C1 ZINC000359595206 410758195 /nfs/dbraw/zinc/75/81/95/410758195.db2.gz OWGLSYRXYFETGJ-GHMZBOCLSA-N 1 0 313.427 1.601 20 5 DDBDRO COC(=O)c1cnc(N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000302750017 410856916 /nfs/dbraw/zinc/85/69/16/410856916.db2.gz GWKLHYSZFDCPBI-KOLCDFICSA-N 1 0 320.349 1.814 20 5 DDBDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1cc([N+](=O)[O-])nn1C ZINC000356142857 410860393 /nfs/dbraw/zinc/86/03/93/410860393.db2.gz AVRSMYMYTUOGGR-GFCCVEGCSA-N 1 0 323.397 1.713 20 5 DDBDRO C[NH+]1CCC(CNC(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000337607297 410893049 /nfs/dbraw/zinc/89/30/49/410893049.db2.gz VRHZUVKHXFXETA-UHFFFAOYSA-N 1 0 307.350 1.432 20 5 DDBDRO C[C@@H]1CC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000330836111 410896304 /nfs/dbraw/zinc/89/63/04/410896304.db2.gz KMIAPKLTJKLNKR-YRGRVCCFSA-N 1 0 310.350 1.037 20 5 DDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000344055658 410922506 /nfs/dbraw/zinc/92/25/06/410922506.db2.gz KUSVPNXLTQARLO-BVIHXZOGSA-N 1 0 319.361 1.625 20 5 DDBDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CCn3ccc([N+](=O)[O-])n3)[C@H]2C1 ZINC000344066899 410933100 /nfs/dbraw/zinc/93/31/00/410933100.db2.gz ICCMZOJMXBKMPK-IHRRRGAJSA-N 1 0 321.381 1.028 20 5 DDBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1cc([N+](=O)[O-])nn1C ZINC000356465709 411046685 /nfs/dbraw/zinc/04/66/85/411046685.db2.gz YVFLXXRTUGBDRT-WDEREUQCSA-N 1 0 309.370 1.179 20 5 DDBDRO COc1cc(C[N@H+](C)[C@H]2CCC[C@H]2O)c([N+](=O)[O-])cc1OC ZINC000348556870 411015346 /nfs/dbraw/zinc/01/53/46/411015346.db2.gz QCPRJOWQPBLULT-WCQYABFASA-N 1 0 310.350 1.957 20 5 DDBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000356649972 411116736 /nfs/dbraw/zinc/11/67/36/411116736.db2.gz QVECLKRYNHQMAN-SNVBAGLBSA-N 1 0 310.354 1.546 20 5 DDBDRO C[NH+](C)C[C@H]1CCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000129689489 196068810 /nfs/dbraw/zinc/06/88/10/196068810.db2.gz XNUYUWCWJOJNPG-CQSZACIVSA-N 1 0 320.393 1.730 20 5 DDBDRO C[NH+](C)C1(CNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC1 ZINC000416305309 224877398 /nfs/dbraw/zinc/87/73/98/224877398.db2.gz AVNJVRSBRFLKGD-UHFFFAOYSA-N 1 0 307.306 1.148 20 5 DDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])NCC[C@@H]1CC[NH2+]C1 ZINC000417774275 225435336 /nfs/dbraw/zinc/43/53/36/225435336.db2.gz YZWDAXCDAPRDAK-LBPRGKRZSA-N 1 0 306.366 1.436 20 5 DDBDRO C[C@@H]1CN(Cc2c(F)cccc2[N+](=O)[O-])[C@@H](C)C[N@@H+]1CCO ZINC000419338955 226123954 /nfs/dbraw/zinc/12/39/54/226123954.db2.gz ZPGZCUBKBBVYRX-NEPJUHHUSA-N 1 0 311.357 1.621 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1C[C@H](C)[NH2+]C[C@@H]1C ZINC000420401312 226483973 /nfs/dbraw/zinc/48/39/73/226483973.db2.gz PGCFHRQCYYQHFB-RYUDHWBXSA-N 1 0 306.366 1.524 20 5 DDBDRO C[C@H]1OCC[C@]12C[N@H+](CCn1ccc([N+](=O)[O-])n1)C[C@@H](C)O2 ZINC000366085787 418428467 /nfs/dbraw/zinc/42/84/67/418428467.db2.gz HCLAASYLJSHRBE-BZPMIXESSA-N 1 0 310.354 1.060 20 5 DDBDRO Cc1ccc([C@H](C)[NH2+]CCC(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000177833603 221856925 /nfs/dbraw/zinc/85/69/25/221856925.db2.gz GNEHRSYTCGQDJX-ZDUSSCGKSA-N 1 0 321.377 1.803 20 5 DDBDRO O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000374894925 418574326 /nfs/dbraw/zinc/57/43/26/418574326.db2.gz OEBYETRWWZLCHN-AAVRWANBSA-N 1 0 307.325 1.053 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@H]1CCN(C)C1 ZINC000360872537 418538039 /nfs/dbraw/zinc/53/80/39/418538039.db2.gz ODPISLRYXPUYCK-NSHDSACASA-N 1 0 313.379 1.194 20 5 DDBDRO COc1ccc(CSCC(=O)NC[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000194935514 418551588 /nfs/dbraw/zinc/55/15/88/418551588.db2.gz DPNPOVDXSDFJBN-VIFPVBQESA-N 1 0 313.379 1.300 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)NCC[NH+](C(C)C)C(C)C)n1 ZINC000191759820 222108274 /nfs/dbraw/zinc/10/82/74/222108274.db2.gz IAAXQFLKADZMRN-UHFFFAOYSA-N 1 0 311.386 1.660 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)n1 ZINC000191825685 222110362 /nfs/dbraw/zinc/11/03/62/222110362.db2.gz DTMISEAKRAUBBZ-SNVBAGLBSA-N 1 0 311.386 1.517 20 5 DDBDRO C[C@H]1CC[NH2+]C[C@@H]1NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000193417934 222154205 /nfs/dbraw/zinc/15/42/05/222154205.db2.gz GLTHVDOABQGWFK-GWCFXTLKSA-N 1 0 313.379 1.012 20 5 DDBDRO CC[N@@H+]1CC[C@@H](CNC(=O)c2cccc(OC)c2[N+](=O)[O-])C1 ZINC000195442169 222202415 /nfs/dbraw/zinc/20/24/15/222202415.db2.gz SWXNBUFDDUAHGZ-NSHDSACASA-N 1 0 307.350 1.675 20 5 DDBDRO Cn1cc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)c(C(F)F)n1 ZINC000291231862 222242795 /nfs/dbraw/zinc/24/27/95/222242795.db2.gz PWRFDVPFFUWTNJ-UHFFFAOYSA-N 1 0 300.269 1.252 20 5 DDBDRO CNC(=O)c1ccc(N2CC[C@H]3CC[N@H+](C)[C@H]3C2)c([N+](=O)[O-])c1 ZINC000375035555 418592081 /nfs/dbraw/zinc/59/20/81/418592081.db2.gz CTNFLEBQLKZOOS-ABAIWWIYSA-N 1 0 318.377 1.485 20 5 DDBDRO CC(C)[N@@H+]1CCO[C@@H](C(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000375101095 418605730 /nfs/dbraw/zinc/60/57/30/418605730.db2.gz NHKLCWCAYOHWBE-OAHLLOKOSA-N 1 0 321.377 1.363 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCC(=O)N[C@@H]1C1CC1 ZINC000367461500 418601466 /nfs/dbraw/zinc/60/14/66/418601466.db2.gz AGFZYXPUTXMSJT-CZUORRHYSA-N 1 0 319.361 1.750 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@H](O)C2(CC2)C1 ZINC000375311222 418627946 /nfs/dbraw/zinc/62/79/46/418627946.db2.gz VTVRYFFLLPZQHS-AWEZNQCLSA-N 1 0 319.361 1.689 20 5 DDBDRO CC(C)C[N@@H+]1CCCN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000361828439 418715152 /nfs/dbraw/zinc/71/51/52/418715152.db2.gz FKJXQYZXIFBCFU-UHFFFAOYSA-N 1 0 321.381 1.257 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC(O[C@H]3CCOC3)CC2)n1 ZINC000361438314 418653047 /nfs/dbraw/zinc/65/30/47/418653047.db2.gz XJRGUNXPCGIBRG-ZDUSSCGKSA-N 1 0 310.354 1.061 20 5 DDBDRO C[C@@H](Sc1nnnn1CC[NH+](C)C)c1ccccc1[N+](=O)[O-] ZINC000361449539 418654954 /nfs/dbraw/zinc/65/49/54/418654954.db2.gz NTOMOMLMKVSDAC-SNVBAGLBSA-N 1 0 322.394 1.996 20 5 DDBDRO CC(C)(C)[C@@H]1CCC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000361541724 418673780 /nfs/dbraw/zinc/67/37/80/418673780.db2.gz SBZNMBKUDJMXJB-TZMCWYRMSA-N 1 0 310.398 1.910 20 5 DDBDRO CS(=O)(=O)c1ccc(N[C@H]2CCC[C@@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000382448859 418730758 /nfs/dbraw/zinc/73/07/58/418730758.db2.gz LLDIECZLTLTLMJ-ZJUUUORDSA-N 1 0 313.379 1.680 20 5 DDBDRO C[C@@H]1CC[S@](=O)CCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000365477780 418865843 /nfs/dbraw/zinc/86/58/43/418865843.db2.gz RBDVPGUKSYPYJM-MGOULQTBSA-N 1 0 312.391 1.471 20 5 DDBDRO O=[N+]([O-])c1cnc2ccc(N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)nn21 ZINC000372703421 418893707 /nfs/dbraw/zinc/89/37/07/418893707.db2.gz IDOIEHMCTDHWSJ-GHMZBOCLSA-N 1 0 302.338 1.676 20 5 DDBDRO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000424011866 227857029 /nfs/dbraw/zinc/85/70/29/227857029.db2.gz ZJOCKNCJZXYHDD-GFCCVEGCSA-N 1 0 301.306 1.105 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CCCCS(C)(=O)=O ZINC000424175930 228240813 /nfs/dbraw/zinc/24/08/13/228240813.db2.gz WCOSZGTYFDGTFF-UHFFFAOYSA-N 1 0 300.380 1.818 20 5 DDBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424291873 228255211 /nfs/dbraw/zinc/25/52/11/228255211.db2.gz MHSJBKRRGRCQEF-XFBWCDHKSA-N 1 0 315.377 1.816 20 5 DDBDRO COC(=O)[C@@H]1CN(CCc2ccc([N+](=O)[O-])cc2)CC[N@H+](C)C1 ZINC000411915054 419482334 /nfs/dbraw/zinc/48/23/34/419482334.db2.gz YJTQYRONLQBYSL-AWEZNQCLSA-N 1 0 321.377 1.174 20 5 DDBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)C[C@H]1CCC[N@@H+]1C ZINC000421002731 419442492 /nfs/dbraw/zinc/44/24/92/419442492.db2.gz MOXRGLXWLLBSRP-QWHCGFSZSA-N 1 0 320.393 1.948 20 5 DDBDRO Cc1c(CNC(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000418084548 419520785 /nfs/dbraw/zinc/52/07/85/419520785.db2.gz VPDYWKDICYTDAJ-GXFFZTMASA-N 1 0 306.366 1.700 20 5 DDBDRO COC1([C@H](C)[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCC1 ZINC000412023625 419567575 /nfs/dbraw/zinc/56/75/75/419567575.db2.gz XZXQWMQJULOZJB-GXTWGEPZSA-N 1 0 324.377 1.882 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCc2nnnn2CC1 ZINC000421400244 419594948 /nfs/dbraw/zinc/59/49/48/419594948.db2.gz RQAMCTQAJCFNEF-YPMHNXCESA-N 1 0 316.365 1.507 20 5 DDBDRO CNC(=O)[C@@H]1CC[N@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000421395094 419597398 /nfs/dbraw/zinc/59/73/98/419597398.db2.gz YBZKIQBEKFOPRZ-SNVBAGLBSA-N 1 0 323.349 1.180 20 5 DDBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@H]1CCc2nnnn2CC1 ZINC000421402399 419599351 /nfs/dbraw/zinc/59/93/51/419599351.db2.gz VTTMDQUQGWYVTN-LQPUYASZSA-N 1 0 314.349 1.589 20 5 DDBDRO C[C@@H]1[C@H](CO)CCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000412061861 419610905 /nfs/dbraw/zinc/61/09/05/419610905.db2.gz AKLXPLBKYVCOIC-RDBSUJKOSA-N 1 0 324.377 1.427 20 5 DDBDRO CC(C)[C@@H]1[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC12CCC2 ZINC000427188144 419614125 /nfs/dbraw/zinc/61/41/25/419614125.db2.gz WZAHFBFQEGKILY-KGLIPLIRSA-N 1 0 308.382 1.663 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[N@@H+](C(C)C)C2)n1 ZINC000427705077 419719435 /nfs/dbraw/zinc/71/94/35/419719435.db2.gz GYYIJRJCVAPKQI-LLVKDONJSA-N 1 0 309.370 1.414 20 5 DDBDRO O=C(NCC1C[NH2+]C1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000418488801 419830497 /nfs/dbraw/zinc/83/04/97/419830497.db2.gz NJJBVWVGFPMKLS-CQSZACIVSA-N 1 0 318.377 1.703 20 5 DDBDRO [NH3+]CCN(CCO)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000414917184 419874299 /nfs/dbraw/zinc/87/42/99/419874299.db2.gz UYXRZIVSUQKAPV-UHFFFAOYSA-N 1 0 322.390 1.471 20 5 DDBDRO O=C(NC[C@@H]1CC[NH2+]C1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000418528856 419861010 /nfs/dbraw/zinc/86/10/10/419861010.db2.gz SNVCQMWXPAYTBU-LLVKDONJSA-N 1 0 304.350 1.272 20 5 DDBDRO C[C@@H]([NH2+]CC(=O)NC[C@@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000299612911 229261681 /nfs/dbraw/zinc/26/16/81/229261681.db2.gz JAHNIGNPMMQGTP-RISCZKNCSA-N 1 0 307.350 1.541 20 5 DDBDRO Cn1cc(CN2CCC[NH2+]CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000435373946 229378814 /nfs/dbraw/zinc/37/88/14/229378814.db2.gz OLZTZZLWWISHPQ-UHFFFAOYSA-N 1 0 315.377 1.791 20 5 DDBDRO CCCC[C@@H](C[NH3+])NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000429612443 420029012 /nfs/dbraw/zinc/02/90/12/420029012.db2.gz QKDZOQYXVZHDCP-JTQLQIEISA-N 1 0 323.349 1.613 20 5 DDBDRO Cc1c(CC(=O)N[C@@H](CC[NH3+])C(F)(F)F)cccc1[N+](=O)[O-] ZINC000423717549 420141201 /nfs/dbraw/zinc/14/12/01/420141201.db2.gz BANDRODVFNBHOK-NSHDSACASA-N 1 0 319.283 1.842 20 5 DDBDRO [NH3+]C[C@@H]1CCC[C@@H]1Nc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000420209127 420150230 /nfs/dbraw/zinc/15/02/30/420150230.db2.gz VIJNXCJPARQVLT-JQWIXIFHSA-N 1 0 303.322 2.184 20 5 DDBDRO C[NH2+]C1CCN(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000430966086 420226271 /nfs/dbraw/zinc/22/62/71/420226271.db2.gz MHEYZZACRFXWFD-UHFFFAOYSA-N 1 0 306.366 1.526 20 5 DDBDRO COc1ccc(NC(=O)[C@@H](C)N2CCC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000430969206 420228127 /nfs/dbraw/zinc/22/81/27/420228127.db2.gz YVAJRTZIPYCKDU-LLVKDONJSA-N 1 0 322.365 1.226 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H]1CC[NH2+]CC1(C)C ZINC000420355108 420231334 /nfs/dbraw/zinc/23/13/34/420231334.db2.gz BSLXVYMWJCNERN-CQSZACIVSA-N 1 0 320.393 1.819 20 5 DDBDRO CCc1ccccc1[C@@H]([NH3+])CNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000423978170 420289626 /nfs/dbraw/zinc/28/96/26/420289626.db2.gz OBVCFSUVBILOMJ-LBPRGKRZSA-N 1 0 302.334 1.915 20 5 DDBDRO CC(C)[C@H](C[NH3+])C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000433148021 420249020 /nfs/dbraw/zinc/24/90/20/420249020.db2.gz PVVIJOMUAWXSRG-AAEUAGOBSA-N 1 0 321.381 1.234 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@@H](C)CCC[NH3+] ZINC000420439175 420287382 /nfs/dbraw/zinc/28/73/82/420287382.db2.gz MESUIJVOCDIIRV-NSHDSACASA-N 1 0 315.395 1.617 20 5 DDBDRO C[C@]1(F)C[NH2+]CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000420337474 420218262 /nfs/dbraw/zinc/21/82/62/420218262.db2.gz QVEINZUFVPISFT-HNNXBMFYSA-N 1 0 324.356 1.557 20 5 DDBDRO C[NH+](C)C1(CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000416307072 420323964 /nfs/dbraw/zinc/32/39/64/420323964.db2.gz JACWRPXCKGZVGP-UHFFFAOYSA-N 1 0 314.345 1.967 20 5 DDBDRO C[NH+](C)[C@@H]1CCC[C@@H](Nc2c(C(N)=O)cccc2[N+](=O)[O-])C1 ZINC000420598824 420327732 /nfs/dbraw/zinc/32/77/32/420327732.db2.gz KHQDRVOJSBWBEU-GHMZBOCLSA-N 1 0 306.366 1.978 20 5 DDBDRO COCC(C)(C)[NH+]1CCN(c2ccc([N+](=O)[O-])c(C)n2)CC1 ZINC000425275884 420336305 /nfs/dbraw/zinc/33/63/05/420336305.db2.gz GBIGPBHOABHBHM-UHFFFAOYSA-N 1 0 308.382 1.845 20 5 DDBDRO COC(=O)c1cc(C)nc(N(C)C[C@H]2CCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000420638581 420338437 /nfs/dbraw/zinc/33/84/37/420338437.db2.gz QQAWEXXOKDCXHM-LLVKDONJSA-N 1 0 322.365 1.615 20 5 DDBDRO O=C(NC[C@H]1C[NH2+]CCO1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000423994076 420296647 /nfs/dbraw/zinc/29/66/47/420296647.db2.gz RYDWJLGWGPXRAG-LLVKDONJSA-N 1 0 321.358 1.528 20 5 DDBDRO CO[C@@H](C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)C1CC1 ZINC000425417023 420379944 /nfs/dbraw/zinc/37/99/44/420379944.db2.gz MCMKCXUHJTZZNE-JSGCOSHPSA-N 1 0 306.366 1.901 20 5 DDBDRO C[C@@H]1CN(C(=O)NCCc2ccccc2[N+](=O)[O-])[C@@H](C)C[NH2+]1 ZINC000417760552 420470635 /nfs/dbraw/zinc/47/06/35/420470635.db2.gz GIFQITUCTDURAG-NEPJUHHUSA-N 1 0 306.366 1.529 20 5 DDBDRO [NH3+][C@@H]1CCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000417716332 420459010 /nfs/dbraw/zinc/45/90/10/420459010.db2.gz LLGCONTWYWQISN-CYBMUJFWSA-N 1 0 306.366 1.660 20 5 DDBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[NH2+]C1 ZINC000417720447 420460104 /nfs/dbraw/zinc/46/01/04/420460104.db2.gz RRMCMEFDZOVNTO-CYBMUJFWSA-N 1 0 306.366 1.579 20 5 DDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])NC[C@@H]1CCC[NH2+]C1 ZINC000417771428 420474335 /nfs/dbraw/zinc/47/43/35/420474335.db2.gz VEIHDXIHJZJKLT-GFCCVEGCSA-N 1 0 306.366 1.436 20 5 DDBDRO C[C@H]1CCN(C(=O)NCCc2ccccc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000417774763 420475045 /nfs/dbraw/zinc/47/50/45/420475045.db2.gz ZUCQQVCDYXRIMW-JSGCOSHPSA-N 1 0 320.393 1.906 20 5 DDBDRO CC[NH+]1CCN(CC(C)(C)Nc2ncc([N+](=O)[O-])cn2)CC1 ZINC000450920768 420562089 /nfs/dbraw/zinc/56/20/89/420562089.db2.gz ASLNNWDFVFPBDF-UHFFFAOYSA-N 1 0 308.386 1.213 20 5 DDBDRO CN(CC(C)(C)C[NH3+])S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000440444283 420577210 /nfs/dbraw/zinc/57/72/10/420577210.db2.gz NQFOCJJIIMBSLQ-UHFFFAOYSA-N 1 0 307.397 1.262 20 5 DDBDRO CCNC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447507884 420776104 /nfs/dbraw/zinc/77/61/04/420776104.db2.gz JDCDGBGSKIFKQL-QJPTWQEYSA-N 1 0 309.370 1.389 20 5 DDBDRO CCNC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447507887 420776820 /nfs/dbraw/zinc/77/68/20/420776820.db2.gz JDCDGBGSKIFKQL-TUAOUCFPSA-N 1 0 309.370 1.389 20 5 DDBDRO O=C(/C=C\c1ccc(F)cc1[N+](=O)[O-])N1CC[C@]2(CC[NH2+]C2)C1 ZINC000493662354 420909497 /nfs/dbraw/zinc/90/94/97/420909497.db2.gz YTDHVJPOVHMTGM-OUMXJLHTSA-N 1 0 319.336 1.959 20 5 DDBDRO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3C[C@H](O)[C@H](CO)C3)o2)c1 ZINC000459694209 420849215 /nfs/dbraw/zinc/84/92/15/420849215.db2.gz GDAOKEYKYPTNSD-WFASDCNBSA-N 1 0 318.329 1.640 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1C[C@@H]2C[C@H]1CS2 ZINC000459792259 420874899 /nfs/dbraw/zinc/87/48/99/420874899.db2.gz JKYOLDJJCJKUGA-TUAOUCFPSA-N 1 0 310.375 1.524 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC(=O)NCC(F)F ZINC000449302507 420985952 /nfs/dbraw/zinc/98/59/52/420985952.db2.gz VOANMAOSPOVKJK-SECBINFHSA-N 1 0 301.293 1.497 20 5 DDBDRO Cc1sc(C(=O)N[C@H]2C[NH2+]CCC2(F)F)cc1[N+](=O)[O-] ZINC000449667481 421053685 /nfs/dbraw/zinc/05/36/85/421053685.db2.gz UWTGWICQFLFUCJ-VIFPVBQESA-N 1 0 305.306 1.692 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000449670476 421053928 /nfs/dbraw/zinc/05/39/28/421053928.db2.gz ZWOGIEJGLIORTL-SNVBAGLBSA-N 1 0 300.265 1.025 20 5 DDBDRO CNC(=O)c1ccc(N2CC[N@H+](C)[C@@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000487071805 421001313 /nfs/dbraw/zinc/00/13/13/421001313.db2.gz BPLWRDVXBHNDMZ-OAHLLOKOSA-N 1 0 320.393 1.731 20 5 DDBDRO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@H](O)C[C@@H]2[C@@H]2CCCOC2)cc1 ZINC000449430237 421010894 /nfs/dbraw/zinc/01/08/94/421010894.db2.gz BVOPQTGUJLKBIW-FVQBIDKESA-N 1 0 306.362 1.957 20 5 DDBDRO C[C@@H]([NH3+])[C@@H](C)NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000449583032 421032311 /nfs/dbraw/zinc/03/23/11/421032311.db2.gz ADWMTSORKQMELB-NXEZZACHSA-N 1 0 303.322 1.246 20 5 DDBDRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000487515345 421032906 /nfs/dbraw/zinc/03/29/06/421032906.db2.gz KHQTVVDCKUSRLE-DGCLKSJQSA-N 1 0 321.381 1.153 20 5 DDBDRO CC[C@H]([NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)C(=O)NC ZINC000449770618 421080685 /nfs/dbraw/zinc/08/06/85/421080685.db2.gz GAMOIEILECLMBB-GWCFXTLKSA-N 1 0 322.365 1.426 20 5 DDBDRO C[N@H+](CCNC(=O)c1c[nH]nc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000563458032 421512915 /nfs/dbraw/zinc/51/29/15/421512915.db2.gz GOTJXYSGHLJMRG-UHFFFAOYSA-N 1 0 321.312 1.319 20 5 DDBDRO CCC[NH2+][C@H](C)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000564081039 421567454 /nfs/dbraw/zinc/56/74/54/421567454.db2.gz XHOQYDCFFHEIDX-GFCCVEGCSA-N 1 0 321.381 1.027 20 5 DDBDRO C[C@H]([NH2+]C[C@H](O)COC[C@@H]1CCCO1)c1ccccc1[N+](=O)[O-] ZINC000553407097 421613575 /nfs/dbraw/zinc/61/35/75/421613575.db2.gz XWIDHAGSALNVLJ-IHRRRGAJSA-N 1 0 324.377 1.802 20 5 DDBDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC000571118404 421690025 /nfs/dbraw/zinc/69/00/25/421690025.db2.gz NUUCVMQRZSRSHH-LLVKDONJSA-N 1 0 309.370 1.560 20 5 DDBDRO C[C@H]1C[C@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC[NH2+]1 ZINC000519549116 421699738 /nfs/dbraw/zinc/69/97/38/421699738.db2.gz ZIOJXJBTXOQQLC-DTWKUNHWSA-N 1 0 307.306 1.194 20 5 DDBDRO C[C@@H]1CC[N@H+](CC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)C1 ZINC000518792703 421668307 /nfs/dbraw/zinc/66/83/07/421668307.db2.gz QCMQAAMSJCDGSR-GFCCVEGCSA-N 1 0 303.362 1.821 20 5 DDBDRO CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000570823134 421671237 /nfs/dbraw/zinc/67/12/37/421671237.db2.gz IIRUFYPNYNHLON-LLVKDONJSA-N 1 0 321.381 1.518 20 5 DDBDRO CC(C)(C(=O)NCc1cccc([N+](=O)[O-])c1)N1CCOCC1 ZINC000558714070 421822693 /nfs/dbraw/zinc/82/26/93/421822693.db2.gz DVJQLVBFIZHDGL-UHFFFAOYSA-N 1 0 307.350 1.322 20 5 DDBDRO CC(C)[N@@H+]1CC[C@H](CNc2cccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000557556163 421777698 /nfs/dbraw/zinc/77/76/98/421777698.db2.gz VBGTZWDTCATVDI-LLVKDONJSA-N 1 0 306.366 1.836 20 5 DDBDRO Cc1cc(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)ccn1 ZINC000574870885 422199601 /nfs/dbraw/zinc/19/96/01/422199601.db2.gz YCWPXLVWJIHAGJ-HNNXBMFYSA-N 1 0 317.345 1.828 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000584172553 422274074 /nfs/dbraw/zinc/27/40/74/422274074.db2.gz VYAQFJWQHZKYMB-VHSXEESVSA-N 1 0 308.338 1.084 20 5 DDBDRO Cc1cc(OCC(=O)NCC[N@H+]2CC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000578480308 422579226 /nfs/dbraw/zinc/57/92/26/422579226.db2.gz QGTYCKAIMVJGTO-LBPRGKRZSA-N 1 0 321.377 1.740 20 5 DDBDRO C[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C[C@H]1CCOC1 ZINC000181957048 263371709 /nfs/dbraw/zinc/37/17/09/263371709.db2.gz VLNAJDIMKOYKAO-OLZOCXBDSA-N 1 0 310.350 1.303 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[NH2+]C2(c3ccc4c(c3)OCO4)CC2)c1 ZINC000342214922 271341656 /nfs/dbraw/zinc/34/16/56/271341656.db2.gz ZLJCNAYXQHWXJW-UHFFFAOYSA-N 1 0 316.317 1.799 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1Sc1nnc(C2CC[NH2+]CC2)n1C ZINC000344416989 272020077 /nfs/dbraw/zinc/02/00/77/272020077.db2.gz JYGUVNURRGTPCM-UHFFFAOYSA-N 1 0 323.382 1.075 20 5 DDBDRO C[C@H]1[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)CCC[N@@H+]1C ZINC000345321782 272219386 /nfs/dbraw/zinc/21/93/86/272219386.db2.gz OUQYRXIADAGGPE-KWQFWETISA-N 1 0 310.329 1.529 20 5 DDBDRO COc1ccc(CNC(=O)[C@H]([NH3+])CC(F)F)cc1[N+](=O)[O-] ZINC000345727853 272316205 /nfs/dbraw/zinc/31/62/05/272316205.db2.gz VJRCEICPSDBXQG-MRVPVSSYSA-N 1 0 303.265 1.202 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000420448271 274723035 /nfs/dbraw/zinc/72/30/35/274723035.db2.gz WKJVNOZKKRCNKA-NXEZZACHSA-N 1 0 301.368 1.226 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1NCC[N@H+]1C[C@H]3CC[C@@H](C1)O3)CCN2 ZINC000450785326 275038707 /nfs/dbraw/zinc/03/87/07/275038707.db2.gz AMBJKWNQGXCFFQ-TXEJJXNPSA-N 1 0 318.377 1.838 20 5 DDBDRO CCC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC[N@@H+]1CCOC ZINC000271006141 276030980 /nfs/dbraw/zinc/03/09/80/276030980.db2.gz YACOKLAJNPOHPH-GFCCVEGCSA-N 1 0 324.381 1.496 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000269333246 276040578 /nfs/dbraw/zinc/04/05/78/276040578.db2.gz ATGZKHRKRVHBSG-GHMZBOCLSA-N 1 0 323.397 1.996 20 5 DDBDRO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1ccc([N+](=O)[O-])c(NC)n1 ZINC000455818371 276169593 /nfs/dbraw/zinc/16/95/93/276169593.db2.gz AXVIVUMZLSOHMT-LLVKDONJSA-N 1 0 321.381 1.588 20 5 DDBDRO CC[NH+]1CCN([C@@H]2CCN(c3nccc(C)c3[N+](=O)[O-])C2)CC1 ZINC000115518027 276386533 /nfs/dbraw/zinc/38/65/33/276386533.db2.gz BTMRMLCRIXUYBP-CQSZACIVSA-N 1 0 319.409 1.514 20 5 DDBDRO CC[NH+]1CCN([C@H]2CCN(c3ncccc3[N+](=O)[O-])C2)CC1 ZINC000106479021 276387721 /nfs/dbraw/zinc/38/77/21/276387721.db2.gz CUIUWXCYPOWBRB-ZDUSSCGKSA-N 1 0 305.382 1.206 20 5 DDBDRO C[NH+]1CCC([C@H]2CCN(C(=O)c3cc([N+](=O)[O-])c[nH]3)C2)CC1 ZINC000407995915 277034125 /nfs/dbraw/zinc/03/41/25/277034125.db2.gz JMEZFGFXNRGOAC-LBPRGKRZSA-N 1 0 306.366 1.727 20 5 DDBDRO CNC(=O)c1ccc(N2CCC[N@@H+](C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000057857608 277258448 /nfs/dbraw/zinc/25/84/48/277258448.db2.gz ALGMETKFYMKABI-UHFFFAOYSA-N 1 0 318.377 1.629 20 5 DDBDRO CO[C@H](C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1)C1CC1 ZINC000425470180 277723444 /nfs/dbraw/zinc/72/34/44/277723444.db2.gz FJOSAYSCCXYVJM-CQSZACIVSA-N 1 0 306.366 1.537 20 5 DDBDRO C[C@@H]([NH3+])[C@H](C)NC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000418698106 278315230 /nfs/dbraw/zinc/31/52/30/278315230.db2.gz MQMISBAISOFTPU-NEPJUHHUSA-N 1 0 321.381 1.162 20 5 DDBDRO Cc1c(NC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000354707121 306784167 /nfs/dbraw/zinc/78/41/67/306784167.db2.gz KXWCHRQOLXMIOY-GFCCVEGCSA-N 1 0 320.349 1.100 20 5 DDBDRO C[C@H](CNc1c2c(ccc1[N+](=O)[O-])NCC2)C[NH+]1CCOCC1 ZINC000278291266 279355113 /nfs/dbraw/zinc/35/51/13/279355113.db2.gz GEANYZNYEKKOBY-GFCCVEGCSA-N 1 0 320.393 1.943 20 5 DDBDRO O=C1CCC(=O)N1CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130195678 280248780 /nfs/dbraw/zinc/24/87/80/280248780.db2.gz HMJIDGCLXQMICA-UHFFFAOYSA-N 1 0 317.345 1.708 20 5 DDBDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000128326652 281307498 /nfs/dbraw/zinc/30/74/98/281307498.db2.gz XNKZMBPLNFXASI-LLVKDONJSA-N 1 0 309.370 1.702 20 5 DDBDRO C[NH+]1CCC(CNC(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000129932612 281362384 /nfs/dbraw/zinc/36/23/84/281362384.db2.gz RSOAZVGIJOSJIG-UHFFFAOYSA-N 1 0 320.393 1.855 20 5 DDBDRO C[C@H]1[NH2+]CC[C@H]1C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000321648866 298258724 /nfs/dbraw/zinc/25/87/24/298258724.db2.gz PSBPLXJUYUYHBP-IUODEOHRSA-N 1 0 318.377 1.241 20 5 DDBDRO CCC[NH+]1CCC(CNC(=O)c2[nH]nc(C)c2[N+](=O)[O-])CC1 ZINC000354763376 298519372 /nfs/dbraw/zinc/51/93/72/298519372.db2.gz PZHMTWORYKYPFV-UHFFFAOYSA-N 1 0 309.370 1.478 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H](C)Cn1cccn1 ZINC000354920742 298565358 /nfs/dbraw/zinc/56/53/58/298565358.db2.gz OFUPNVVPKGQTNK-GFCCVEGCSA-N 1 0 317.349 1.717 20 5 DDBDRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000357303144 299005384 /nfs/dbraw/zinc/00/53/84/299005384.db2.gz FYIURWOZJCBWSO-XHBSWPGZSA-N 1 0 321.377 1.866 20 5 DDBDRO NC(=O)c1ccc(C[N@@H+]2CCC[C@@H]3COCC[C@H]32)c([N+](=O)[O-])c1 ZINC000362454463 300067516 /nfs/dbraw/zinc/06/75/16/300067516.db2.gz QNQJGKAMIONJMU-ZIAGYGMSSA-N 1 0 319.361 1.695 20 5 DDBDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1c1c([N+](=O)[O-])ncn1C ZINC000362659120 300111473 /nfs/dbraw/zinc/11/14/73/300111473.db2.gz UVQJIEWVWTXZFE-NSHDSACASA-N 1 0 309.370 1.018 20 5 DDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000363026611 300200358 /nfs/dbraw/zinc/20/03/58/300200358.db2.gz JVZMEJZCHFFVGX-UKRRQHHQSA-N 1 0 303.362 1.880 20 5 DDBDRO CNC(=O)c1ccc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000363099272 300210678 /nfs/dbraw/zinc/21/06/78/300210678.db2.gz FQVFTMVTMDHMAQ-CHWSQXEVSA-N 1 0 318.377 1.993 20 5 DDBDRO CO[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000363651026 300292636 /nfs/dbraw/zinc/29/26/36/300292636.db2.gz JNNXLBTWHYODGB-ZIAGYGMSSA-N 1 0 324.377 1.835 20 5 DDBDRO O=C(c1ccc([N+](=O)[O-])cn1)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000363877251 300320103 /nfs/dbraw/zinc/32/01/03/300320103.db2.gz UGILMMBVZONAEV-CORIIIEPSA-N 1 0 316.361 1.546 20 5 DDBDRO O=C1CC[C@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@H](C2CC2)N1 ZINC000367459751 300847657 /nfs/dbraw/zinc/84/76/57/300847657.db2.gz VRYWVAQQALLLRV-DZKIICNBSA-N 1 0 319.361 1.275 20 5 DDBDRO O=C(/C=C/c1ccccc1[N+](=O)[O-])N[C@H]1CC12CC[NH2+]CC2 ZINC000368374989 301013944 /nfs/dbraw/zinc/01/39/44/301013944.db2.gz ISHKQVWVGYSSGX-GJBLVYBDSA-N 1 0 301.346 1.866 20 5 DDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H](C[NH3+])CC(C)C ZINC000111829969 301014053 /nfs/dbraw/zinc/01/40/53/301014053.db2.gz JWKSDHNNRSABBT-LLVKDONJSA-N 1 0 315.395 1.555 20 5 DDBDRO O=C(CN1CC[C@H]2OCC[C@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000368471042 301034942 /nfs/dbraw/zinc/03/49/42/301034942.db2.gz PFMMQLCRDNWMDW-SMDDNHRTSA-N 1 0 305.334 1.644 20 5 DDBDRO NC(=O)c1ccc(C[N@@H+]2CCCC23CCOCC3)c([N+](=O)[O-])c1 ZINC000368576840 301055990 /nfs/dbraw/zinc/05/59/90/301055990.db2.gz QLAJPRTTWVIQSQ-UHFFFAOYSA-N 1 0 319.361 1.839 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000369347287 301169008 /nfs/dbraw/zinc/16/90/08/301169008.db2.gz WPZLJKZNBUIRLY-SMDDNHRTSA-N 1 0 318.377 1.485 20 5 DDBDRO C[C@H]1CC(=O)NCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000369453854 301187977 /nfs/dbraw/zinc/18/79/77/301187977.db2.gz XAZBEJPPYDVISC-LBPRGKRZSA-N 1 0 307.350 1.574 20 5 DDBDRO Cc1ccc(S(=O)(=O)N2CC[C@H]([NH3+])[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000440426526 301681798 /nfs/dbraw/zinc/68/17/98/301681798.db2.gz PRSDEEJZNWLKJO-MNOVXSKESA-N 1 0 313.379 1.261 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H](C[NH3+])C2)c1C ZINC000178908275 301858819 /nfs/dbraw/zinc/85/88/19/301858819.db2.gz UFDPNDXZDCHYOV-LLVKDONJSA-N 1 0 313.379 1.181 20 5 DDBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000375069598 301888251 /nfs/dbraw/zinc/88/82/51/301888251.db2.gz BROJBPQLQCYHCS-QWRGUYRKSA-N 1 0 310.329 1.165 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000278815968 302039187 /nfs/dbraw/zinc/03/91/87/302039187.db2.gz UDINCEYFXYPBOU-CYBMUJFWSA-N 1 0 321.377 1.480 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cccc([N+](=O)[O-])c3F)[C@H]2C1 ZINC000376729423 302093153 /nfs/dbraw/zinc/09/31/53/302093153.db2.gz PXEDNAJFFKGDME-MFKMUULPSA-N 1 0 307.325 1.900 20 5 DDBDRO CC1(C)C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000377394378 302176589 /nfs/dbraw/zinc/17/65/89/302176589.db2.gz XPHRXGXGAFRKMW-AWEZNQCLSA-N 1 0 324.377 1.835 20 5 DDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000377762365 302228878 /nfs/dbraw/zinc/22/88/78/302228878.db2.gz SBCKAZQPIBKAGS-LSDHHAIUSA-N 1 0 317.389 1.889 20 5 DDBDRO C[C@@H]1C[C@H](C)N(C(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1C[NH3+] ZINC000397228016 302352987 /nfs/dbraw/zinc/35/29/87/302352987.db2.gz DBIZOTNXYXJCCR-DYEKYZERSA-N 1 0 305.378 1.969 20 5 DDBDRO COCC(C)(C)[N@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000429274587 302387809 /nfs/dbraw/zinc/38/78/09/302387809.db2.gz SUHPMQZQQOBGRC-CYBMUJFWSA-N 1 0 312.366 1.691 20 5 DDBDRO CC(C)[NH+](CCN(C)C(=O)c1c([N+](=O)[O-])cnn1C)C(C)C ZINC000357052228 306868448 /nfs/dbraw/zinc/86/84/48/306868448.db2.gz LRTXDEMSXKUFQA-UHFFFAOYSA-N 1 0 311.386 1.519 20 5 DDBDRO Cn1ccnc1[C@H]1C[NH2+]CCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000261812878 303009526 /nfs/dbraw/zinc/00/95/26/303009526.db2.gz SUXNYYMTFKOQKK-OAHLLOKOSA-N 1 0 315.377 1.517 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000532873519 303300198 /nfs/dbraw/zinc/30/01/98/303300198.db2.gz PCRBDDJMHNKITI-YPMHNXCESA-N 1 0 306.366 1.490 20 5 DDBDRO CSC1(CNC(=O)c2ccc([N+](=O)[O-])cn2)CC[NH+](C)CC1 ZINC000558555465 303774488 /nfs/dbraw/zinc/77/44/88/303774488.db2.gz GCCWVYAHLKSPOV-UHFFFAOYSA-N 1 0 324.406 1.547 20 5 DDBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1COCCO1 ZINC000358227544 306935136 /nfs/dbraw/zinc/93/51/36/306935136.db2.gz UNKQWQYKAZTTKR-FZMZJTMJSA-N 1 0 323.349 1.317 20 5 DDBDRO C[C@@H](CC[NH+](C)C)NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000360652872 306986000 /nfs/dbraw/zinc/98/60/00/306986000.db2.gz NCBIMRUUGRFUIE-QMMMGPOBSA-N 1 0 307.397 1.275 20 5 DDBDRO C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])c2ccccc2O1 ZINC000363880740 307037262 /nfs/dbraw/zinc/03/72/62/307037262.db2.gz XXUYILCFNCAXFZ-WZRBSPASSA-N 1 0 305.334 1.007 20 5 DDBDRO Cc1cc(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c(N)c([N+](=O)[O-])c1 ZINC000365182776 307060844 /nfs/dbraw/zinc/06/08/44/307060844.db2.gz IQJICXBJMOYVQU-NEPJUHHUSA-N 1 0 318.377 1.842 20 5 DDBDRO COc1ccc(OCC[N@@H+]2C[C@H]3[C@H](CO)[C@H]3C2)c([N+](=O)[O-])c1 ZINC000366425823 307073554 /nfs/dbraw/zinc/07/35/54/307073554.db2.gz XTXKYCZYHKALHX-ITGUQSILSA-N 1 0 308.334 1.152 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1CN1CCC[C@]2(CNC(=O)O2)C1 ZINC000373973641 307198821 /nfs/dbraw/zinc/19/88/21/307198821.db2.gz BQERCNVJRSEYTG-HNNXBMFYSA-N 1 0 321.333 1.678 20 5 DDBDRO O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)[C@H]1C[C@H]1[N+](=O)[O-] ZINC000373972938 307198837 /nfs/dbraw/zinc/19/88/37/307198837.db2.gz KXMQDAHWEVVUBZ-HRCADAONSA-N 1 0 317.389 1.332 20 5 DDBDRO CC(C)[NH+]1CCN([C@H]2CCN(c3ccc([N+](=O)[O-])nc3)C2)CC1 ZINC000563506936 307972070 /nfs/dbraw/zinc/97/20/70/307972070.db2.gz KXBWIJJOKQSADW-HNNXBMFYSA-N 1 0 319.409 1.595 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CCCn1cccn1 ZINC000565384444 308029089 /nfs/dbraw/zinc/02/90/89/308029089.db2.gz IIURUUOZTLKVIA-ZDUSSCGKSA-N 1 0 320.349 1.211 20 5 DDBDRO Cc1c(NC(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+])cccc1[N+](=O)[O-] ZINC000566227939 308050105 /nfs/dbraw/zinc/05/01/05/308050105.db2.gz QVWVMMOUOOOTQP-DTWKUNHWSA-N 1 0 308.338 1.084 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@@H]([NH3+])C[C@@H]1C ZINC000569469377 308145020 /nfs/dbraw/zinc/14/50/20/308145020.db2.gz WNGLKKZFVCSOEP-NWDGAFQWSA-N 1 0 306.366 1.653 20 5 DDBDRO C[C@H]1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000572618561 308221110 /nfs/dbraw/zinc/22/11/10/308221110.db2.gz RFNIZIJBYLQYJO-WCQYABFASA-N 1 0 306.366 1.721 20 5 DDBDRO Cc1cc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)ccc1F ZINC000573165985 308230690 /nfs/dbraw/zinc/23/06/90/308230690.db2.gz LYNVOMNKQCAOLP-ZDUSSCGKSA-N 1 0 308.313 1.390 20 5 DDBDRO C[C@]1(F)C[NH2+]CCN(c2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000576850595 308344442 /nfs/dbraw/zinc/34/44/42/308344442.db2.gz MNWNVPLUBCVNDN-LBPRGKRZSA-N 1 0 311.342 1.737 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2COc3ccc(F)cc32)c1 ZINC000579825431 308559529 /nfs/dbraw/zinc/55/95/29/308559529.db2.gz XLDYIHQNTMADPW-DGCLKSJQSA-N 1 0 322.296 1.015 20 5 DDBDRO Cc1ccc(S(=O)(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000382455454 325745344 /nfs/dbraw/zinc/74/53/44/325745344.db2.gz ITDWIVGONGLNTN-GHMZBOCLSA-N 1 0 313.379 1.309 20 5 DDBDRO CC(C)C[C@@H](C[NH3+])NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000581806665 325915923 /nfs/dbraw/zinc/91/59/23/325915923.db2.gz XZPRWLRXEZAOLV-JTQLQIEISA-N 1 0 323.349 1.469 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000581998105 325949944 /nfs/dbraw/zinc/94/99/44/325949944.db2.gz UZINVPGMSXCWAH-OAHLLOKOSA-N 1 0 304.350 1.514 20 5 DDBDRO O=C1C[C@H]([NH2+]C2CCCC2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000584060894 331657809 /nfs/dbraw/zinc/65/78/09/331657809.db2.gz IZGPRXUVJRBDRF-ZDUSSCGKSA-N 1 0 303.318 1.759 20 5 DDBDRO Cc1cc(S(=O)(=O)NCC[C@H](C)[NH3+])c(C)cc1[N+](=O)[O-] ZINC000582857470 337211564 /nfs/dbraw/zinc/21/15/64/337211564.db2.gz QWIJCBSKFZKTFR-JTQLQIEISA-N 1 0 301.368 1.227 20 5 DDBDRO C[C@@H](Cn1ccnc1)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000583019451 337225634 /nfs/dbraw/zinc/22/56/34/337225634.db2.gz DCPCEJRVYUOCJA-LBPRGKRZSA-N 1 0 317.349 1.798 20 5 DDBDRO C[C@]1(CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CCC[NH2+]C1 ZINC000584405143 337319942 /nfs/dbraw/zinc/31/99/42/337319942.db2.gz CKVYBQSLYLYICZ-HNNXBMFYSA-N 1 0 321.333 1.443 20 5 DDBDRO O=C(CC[N@@H+]1CC[C@]12CCOC2)Nc1ccccc1[N+](=O)[O-] ZINC000421019809 484110482 /nfs/dbraw/zinc/11/04/82/484110482.db2.gz MTVGBCRKWIIISR-OAHLLOKOSA-N 1 0 305.334 1.788 20 5 DDBDRO NC(=O)c1ccc(C[N@@H+]2CCC[C@H](CCO)CC2)c([N+](=O)[O-])c1 ZINC000421024313 484111997 /nfs/dbraw/zinc/11/19/97/484111997.db2.gz XELBOZZOWWELHF-LBPRGKRZSA-N 1 0 321.377 1.678 20 5 DDBDRO CC1(C)C[NH2+]CC[C@H]1NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000420356842 490244239 /nfs/dbraw/zinc/24/42/39/490244239.db2.gz GUEBOKYFBGPJAE-CYBMUJFWSA-N 1 0 306.366 1.171 20 5 DDBDRO O=[N+]([O-])c1ccc(Cn2cc(C3CC[NH2+]CC3)nn2)c(F)c1 ZINC000404850448 501083161 /nfs/dbraw/zinc/08/31/61/501083161.db2.gz NZUOYYUXZIACJW-UHFFFAOYSA-N 1 0 305.313 1.841 20 5 DDBDRO COc1cc(C[NH2+][C@H]2CCCC[C@H]2C(N)=O)ccc1[N+](=O)[O-] ZINC000445765502 533903472 /nfs/dbraw/zinc/90/34/72/533903472.db2.gz MAFUONCQOBJYKD-NEPJUHHUSA-N 1 0 307.350 1.737 20 5 DDBDRO COc1cc(C[NH2+][C@H]2CC[C@@H](CO)C2)c([N+](=O)[O-])cc1OC ZINC000294937854 533906034 /nfs/dbraw/zinc/90/60/34/533906034.db2.gz BZQUGHSCESLCCO-PWSUYJOCSA-N 1 0 310.350 1.863 20 5 DDBDRO Cc1ccc([C@H](C)[NH2+]C[C@H](O)Cn2ccnn2)cc1[N+](=O)[O-] ZINC000414178493 534226302 /nfs/dbraw/zinc/22/63/02/534226302.db2.gz KAWAWZJVGRTTIW-AAEUAGOBSA-N 1 0 305.338 1.206 20 5 DDBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H](O)[C@H](CO)C1 ZINC000414564653 527528738 /nfs/dbraw/zinc/52/87/38/527528738.db2.gz XVSSKKCMRHFVMZ-CMIZMYSDSA-N 1 0 306.362 1.673 20 5 DDBDRO CC(C)[C@H]1CN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC[N@@H+]1C ZINC000490300041 527825557 /nfs/dbraw/zinc/82/55/57/527825557.db2.gz NXDYUWPSOFCHHW-CYBMUJFWSA-N 1 0 323.397 1.325 20 5 DDBDRO CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000423016982 527909543 /nfs/dbraw/zinc/90/95/43/527909543.db2.gz VFECZVZDHGWIMH-ZIAGYGMSSA-N 1 0 307.350 1.021 20 5 DDBDRO CCOC(=O)c1cc(C(=O)NC[C@@H]2CCC[NH2+]2)cc([N+](=O)[O-])c1 ZINC000422776435 528148353 /nfs/dbraw/zinc/14/83/53/528148353.db2.gz ANTMJIXEPHCVBT-LBPRGKRZSA-N 1 0 321.333 1.253 20 5 DDBDRO CC(C)[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)C1(CO)CCCC1 ZINC000459545599 529121615 /nfs/dbraw/zinc/12/16/15/529121615.db2.gz SMXOZWRBLKYLDY-AWEZNQCLSA-N 1 0 310.398 1.958 20 5 DDBDRO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000424045366 529130517 /nfs/dbraw/zinc/13/05/17/529130517.db2.gz TVGOWPXKOAPHTE-CYBMUJFWSA-N 1 0 306.366 1.773 20 5 DDBDRO C[N@@H+]1CCC[C@@H](CNc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC000736857417 598504121 /nfs/dbraw/zinc/50/41/21/598504121.db2.gz NKLATWDFVYFBAW-JTQLQIEISA-N 1 0 317.353 1.529 20 5 DDBDRO C[NH+](C)C[C@H]1CCCCN1C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000104412222 696620090 /nfs/dbraw/zinc/62/00/90/696620090.db2.gz FAGBWLBELPVBII-GFCCVEGCSA-N 1 0 306.366 1.733 20 5 DDBDRO CCNS(=O)(=O)CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000219188501 697753586 /nfs/dbraw/zinc/75/35/86/697753586.db2.gz YJCGFSJFBPNYKB-JTQLQIEISA-N 1 0 301.368 1.185 20 5 DDBDRO Cc1nn(C)c(C)c1CC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000749674376 700176586 /nfs/dbraw/zinc/17/65/86/700176586.db2.gz XAJCJEKCJUPBAP-MRXNPFEDSA-N 1 0 318.377 1.811 20 5 DDBDRO Cc1nc2n(n1)C[C@@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000776273791 698090138 /nfs/dbraw/zinc/09/01/38/698090138.db2.gz ADKRUVAYIABWBR-GXTWGEPZSA-N 1 0 317.349 1.133 20 5 DDBDRO CC(C)C[NH+]1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776574984 698119757 /nfs/dbraw/zinc/11/97/57/698119757.db2.gz MUNYJKGVURHNFC-MRXNPFEDSA-N 1 0 307.394 1.902 20 5 DDBDRO CC(=O)NC[C@H]1CCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776580556 698120741 /nfs/dbraw/zinc/12/07/41/698120741.db2.gz WJWWKQOYHIPELB-CJNGLKHVSA-N 1 0 321.377 1.476 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH+]2CCC(c3nnc[nH]3)CC2)cc1 ZINC000776593624 698124251 /nfs/dbraw/zinc/12/42/51/698124251.db2.gz YSHJJKCVRPFIAH-AWEZNQCLSA-N 1 0 317.349 1.626 20 5 DDBDRO CC(=O)NC1CCC([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000779025139 698391758 /nfs/dbraw/zinc/39/17/58/698391758.db2.gz VWBNGIFQKZZYAN-ZBCRRDGASA-N 1 0 321.377 1.665 20 5 DDBDRO C[C@@H]1C[C@@H](O)C[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000782525613 698734306 /nfs/dbraw/zinc/73/43/06/698734306.db2.gz ZHZBTKDULMWVKI-MWLCHTKSSA-N 1 0 311.313 1.518 20 5 DDBDRO CC(C)=CC(=O)N1CCC([NH2+]Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000989893282 698830468 /nfs/dbraw/zinc/83/04/68/698830468.db2.gz WLXOHJPFLVJTKC-UHFFFAOYSA-N 1 0 321.381 1.375 20 5 DDBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000420413671 699139719 /nfs/dbraw/zinc/13/97/19/699139719.db2.gz ZWCGWUGTIRDENY-LRDDRELGSA-N 1 0 318.377 1.750 20 5 DDBDRO C[NH2+]CCN(C(C)C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000720769648 699308491 /nfs/dbraw/zinc/30/84/91/699308491.db2.gz QQYDGANTYQDLFG-UHFFFAOYSA-N 1 0 301.368 1.213 20 5 DDBDRO CCc1nncn1CC[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788749417 699337639 /nfs/dbraw/zinc/33/76/39/699337639.db2.gz FPVLMRTXXGTQEW-JTQLQIEISA-N 1 0 304.354 1.682 20 5 DDBDRO CC[NH+](CC)C[C@H](C)NC(=O)c1cc(C)cc([N+](=O)[O-])c1N ZINC000729526926 699481438 /nfs/dbraw/zinc/48/14/38/699481438.db2.gz MKRPZSWXSYSYRM-NSHDSACASA-N 1 0 308.382 1.946 20 5 DDBDRO O=[N+]([O-])c1cnn(CN2CCC(CC[NH+]3CCOCC3)CC2)c1 ZINC000738112661 699752790 /nfs/dbraw/zinc/75/27/90/699752790.db2.gz ZLKZCKIWLBVHOA-UHFFFAOYSA-N 1 0 323.397 1.183 20 5 DDBDRO C[C@@H](O)C[C@@H]1CCCN1Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000794637352 699820421 /nfs/dbraw/zinc/82/04/21/699820421.db2.gz WINGXHOGAYGTTE-MNOVXSKESA-N 1 0 321.333 1.696 20 5 DDBDRO COC1CC[NH+](CCNc2ccc([N+](=O)[O-])c3nonc32)CC1 ZINC000751112897 700269428 /nfs/dbraw/zinc/26/94/28/700269428.db2.gz LAGCRCQMOIFFAT-UHFFFAOYSA-N 1 0 321.337 1.654 20 5 DDBDRO CN(C)C(=O)CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000765538828 701018672 /nfs/dbraw/zinc/01/86/72/701018672.db2.gz KDYNABMEYTYGGK-UHFFFAOYSA-N 1 0 320.393 1.632 20 5 DDBDRO C[N@@H+]1CCCC[C@H]1CCC(=O)OCCn1ccc([N+](=O)[O-])n1 ZINC000803856625 701150262 /nfs/dbraw/zinc/15/02/62/701150262.db2.gz SSXQQOSALDTAJA-LBPRGKRZSA-N 1 0 310.354 1.599 20 5 DDBDRO COc1ccc(C[NH2+]C[C@@H](O)c2cccnc2)cc1[N+](=O)[O-] ZINC000771979404 701339037 /nfs/dbraw/zinc/33/90/37/701339037.db2.gz OBPBQFGRFUNCRW-CQSZACIVSA-N 1 0 303.318 1.822 20 5 DDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000839525956 701724473 /nfs/dbraw/zinc/72/44/73/701724473.db2.gz BSGXSEYRCGWUMF-HUUCEWRRSA-N 1 0 309.410 1.766 20 5 DDBDRO Cc1cccc(CN(CC[NH+](C)C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC000839707344 701791250 /nfs/dbraw/zinc/79/12/50/701791250.db2.gz SXRUCFMOTHXJFZ-HUUCEWRRSA-N 1 0 305.378 1.550 20 5 DDBDRO C[NH+](C)C[C@@H](NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000839762523 701814618 /nfs/dbraw/zinc/81/46/18/701814618.db2.gz YLIRMBPOHCKXKX-JHJVBQTASA-N 1 0 311.769 1.724 20 5 DDBDRO COCCC1(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)CC[NH2+]CC1 ZINC000868039326 701905874 /nfs/dbraw/zinc/90/58/74/701905874.db2.gz URXRDKBNYRJEOZ-UHFFFAOYSA-N 1 0 321.377 1.792 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(Cn3c4cc([N+](=O)[O-])ccc4oc3=O)C[C@@H]21 ZINC000840132292 701987308 /nfs/dbraw/zinc/98/73/08/701987308.db2.gz JYARTFHVNWTRFK-MFKMUULPSA-N 1 0 318.333 1.096 20 5 DDBDRO Cn1ncc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])c1Cl ZINC000816610272 702124685 /nfs/dbraw/zinc/12/46/85/702124685.db2.gz FBZDGXCMDONOJR-UHFFFAOYSA-N 1 0 309.757 1.947 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)COc3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC000812340546 702164131 /nfs/dbraw/zinc/16/41/31/702164131.db2.gz CSIJFLPRAITKKP-OLZOCXBDSA-N 1 0 319.361 1.384 20 5 DDBDRO COC(=O)c1ccnc(N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000866209645 706649498 /nfs/dbraw/zinc/64/94/98/706649498.db2.gz UOGOAHRHDBXVSX-PWSUYJOCSA-N 1 0 320.349 1.307 20 5 DDBDRO COC[C@@](C)(O)C[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866266212 706661238 /nfs/dbraw/zinc/66/12/38/706661238.db2.gz XXFMIJSHPHTMFJ-YGRLFVJLSA-N 1 0 300.330 1.652 20 5 DDBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@]1(O)CCN(C)C1 ZINC000866339880 706676676 /nfs/dbraw/zinc/67/66/76/706676676.db2.gz OFILACLTLGJKSE-NHYWBVRUSA-N 1 0 311.357 1.321 20 5 DDBDRO C[C@@H](N[C@H]1C[NH2+]CCC1(F)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817979510 702541550 /nfs/dbraw/zinc/54/15/50/702541550.db2.gz BOZXZSLNIQTCAX-PELKAZGASA-N 1 0 300.309 1.825 20 5 DDBDRO CC(C)(C)[C@H](C[NH3+])NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000818007009 702551627 /nfs/dbraw/zinc/55/16/27/702551627.db2.gz UYLHXBVJYRPVGL-LBPRGKRZSA-N 1 0 313.329 1.602 20 5 DDBDRO C[C@@H]([NH3+])[C@H](C)NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000842008045 702654210 /nfs/dbraw/zinc/65/42/10/702654210.db2.gz VCSZUMJJSJFPPZ-NEPJUHHUSA-N 1 0 321.381 1.162 20 5 DDBDRO Cc1c(Cc2noc(C[C@H]3C[NH2+]CCO3)n2)cccc1[N+](=O)[O-] ZINC000843191099 702837993 /nfs/dbraw/zinc/83/79/93/702837993.db2.gz CQJRZVIJEMQKLX-LBPRGKRZSA-N 1 0 318.333 1.408 20 5 DDBDRO CCN(OC)C(=O)C[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000843430160 702880098 /nfs/dbraw/zinc/88/00/98/702880098.db2.gz GXRWACDUUBJLRS-GFCCVEGCSA-N 1 0 309.366 1.915 20 5 DDBDRO COC(=O)c1cc(C(=O)NCCCCCC[NH3+])cc([N+](=O)[O-])c1 ZINC000843511397 702897641 /nfs/dbraw/zinc/89/76/41/702897641.db2.gz BKWCULDZDSQQIY-UHFFFAOYSA-N 1 0 323.349 1.630 20 5 DDBDRO O=C(N(Cc1cccc([N+](=O)[O-])c1)C1CC1)[C@@]1(F)CC[NH2+]C1 ZINC000844203119 702991227 /nfs/dbraw/zinc/99/12/27/702991227.db2.gz AXPNGDUKQLDEIH-OAHLLOKOSA-N 1 0 307.325 1.787 20 5 DDBDRO O=[N+]([O-])c1cccc(-c2noc([C@]34C[NH2+]C[C@H]3COC4)n2)c1 ZINC000844675269 703053288 /nfs/dbraw/zinc/05/32/88/703053288.db2.gz CVGMWJHTCSMPDD-HZMBPMFUSA-N 1 0 302.290 1.132 20 5 DDBDRO O=[N+]([O-])c1ccc(C[NH2+]CC[C@]2(O)CCOC2)cc1Cl ZINC000846050162 703231077 /nfs/dbraw/zinc/23/10/77/703231077.db2.gz RHEAHIHGPHBWGH-ZDUSSCGKSA-N 1 0 300.742 1.879 20 5 DDBDRO CN(CC[NH+]1CCCCC1)C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000846614193 703303871 /nfs/dbraw/zinc/30/38/71/703303871.db2.gz LOVCLVUJQMDVMZ-UHFFFAOYSA-N 1 0 306.366 1.735 20 5 DDBDRO C[C@@H]1CCCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)[C@@H]1CC[NH3+] ZINC000846693390 703318641 /nfs/dbraw/zinc/31/86/41/703318641.db2.gz GNYDIHZLRHMPOT-ZWNOBZJWSA-N 1 0 306.366 1.767 20 5 DDBDRO C[C@H]([NH2+][C@@H]1CCc2c(nnn2C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000848565496 703563640 /nfs/dbraw/zinc/56/36/40/703563640.db2.gz XLYXOCVLOORSJC-GXSJLCMTSA-N 1 0 316.365 1.514 20 5 DDBDRO COc1cc(CCNC(=[NH2+])NC(C)C)c([N+](=O)[O-])cc1OC ZINC000848983189 703606605 /nfs/dbraw/zinc/60/66/05/703606605.db2.gz VHOOYPPSCXWYJW-UHFFFAOYSA-N 1 0 310.354 1.677 20 5 DDBDRO O=C(CCN1CCC[C@@H]2[NH2+]CC[C@H]21)Nc1ccc([N+](=O)[O-])cc1 ZINC000866721918 706775787 /nfs/dbraw/zinc/77/57/87/706775787.db2.gz QXLFUZQDVCXBIJ-LSDHHAIUSA-N 1 0 318.377 1.750 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2C[C@@H]3CC[C@H](O)C[C@@H]3C2)c1 ZINC000852345394 704019383 /nfs/dbraw/zinc/01/93/83/704019383.db2.gz BKJLBXHVRVZDOR-XRGAULLZSA-N 1 0 306.362 1.721 20 5 DDBDRO CCN(CC)C(=O)CCC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000818957610 704034745 /nfs/dbraw/zinc/03/47/45/704034745.db2.gz UGAMKIWDQSVHMZ-OAHLLOKOSA-N 1 0 323.393 1.866 20 5 DDBDRO CC1(C)COCCN1CC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819013718 704051481 /nfs/dbraw/zinc/05/14/81/704051481.db2.gz GHDIPZRYERKCTE-OAHLLOKOSA-N 1 0 323.393 1.329 20 5 DDBDRO C[N@H+](C[C@@H](O)CNCc1cc([N+](=O)[O-])ccc1Cl)C1CC1 ZINC000819149151 704076498 /nfs/dbraw/zinc/07/64/98/704076498.db2.gz HSCSTNCHXDUMJB-ZDUSSCGKSA-N 1 0 313.785 1.793 20 5 DDBDRO Cc1cc(C[C@H](C)[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000819177551 704082184 /nfs/dbraw/zinc/08/21/84/704082184.db2.gz OFNDMLVRVBEVSI-ZUZCIYMTSA-N 1 0 304.350 1.881 20 5 DDBDRO CNC(=O)C1CCC([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000819230236 704091070 /nfs/dbraw/zinc/09/10/70/704091070.db2.gz SVOUJEXBRNZVQI-SSDMNJCBSA-N 1 0 321.377 1.523 20 5 DDBDRO CCn1cccc(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)c1=O ZINC000819272417 704098328 /nfs/dbraw/zinc/09/83/28/704098328.db2.gz VEQLNKLFWUAPHO-OAHLLOKOSA-N 1 0 317.345 1.600 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CC2(CF)CCOCC2)cc1 ZINC000819350233 704111375 /nfs/dbraw/zinc/11/13/75/704111375.db2.gz ZWFJGBPCKFQIKU-CQSZACIVSA-N 1 0 312.341 1.984 20 5 DDBDRO NC(=O)[C@H]1CC[C@H](C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000819374793 704115949 /nfs/dbraw/zinc/11/59/49/704115949.db2.gz NLSGHXYGYLQPCG-LALPHHSUSA-N 1 0 321.377 1.510 20 5 DDBDRO [NH3+]C[C@H]1OCC[C@H]1C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000852854059 704148732 /nfs/dbraw/zinc/14/87/32/704148732.db2.gz XXMCOQBOQVVIPU-ZYHUDNBSSA-N 1 0 313.741 1.228 20 5 DDBDRO C[NH+](C)[C@@H]1CCCN(C(=O)[C@@](C)(N)c2cccc([N+](=O)[O-])c2)C1 ZINC000870879789 704155529 /nfs/dbraw/zinc/15/55/29/704155529.db2.gz NPWVVQCYXIOBLS-ZBFHGGJFSA-N 1 0 320.393 1.321 20 5 DDBDRO C[C@@]([NH3+])(C(=O)NCC[C@@H]1CC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000870959099 704182266 /nfs/dbraw/zinc/18/22/66/704182266.db2.gz TYKXAXYRIAVTBB-MFKMUULPSA-N 1 0 313.304 1.930 20 5 DDBDRO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc([N+](=O)[O-])cc1F ZINC000870976026 704188198 /nfs/dbraw/zinc/18/81/98/704188198.db2.gz MRCVPOGJEQGRJD-JGPRNRPPSA-N 1 0 307.325 1.994 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC000871151174 704231236 /nfs/dbraw/zinc/23/12/36/704231236.db2.gz YIMCPVBIPLXAMD-UHFFFAOYSA-N 1 0 306.366 1.855 20 5 DDBDRO CCN(C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CC[N@H+](C)C1 ZINC000855360252 704480673 /nfs/dbraw/zinc/48/06/73/704480673.db2.gz DFCZGCNYHHGSFU-UONOGXRCSA-N 1 0 307.350 1.181 20 5 DDBDRO C[C@H]1C[NH2+]CCN1C(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857764696 704621844 /nfs/dbraw/zinc/62/18/44/704621844.db2.gz XQAQIZGDIRWZCE-VIFPVBQESA-N 1 0 315.276 1.387 20 5 DDBDRO C[C@H](CCC[NH3+])NC(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857765377 704622117 /nfs/dbraw/zinc/62/21/17/704622117.db2.gz GEUKJYZPTLSXCI-SECBINFHSA-N 1 0 317.292 1.810 20 5 DDBDRO CON(C)C(=O)[C@H](C)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000858579949 704729603 /nfs/dbraw/zinc/72/96/03/704729603.db2.gz IXYBCYBQQSBNKT-HZMBPMFUSA-N 1 0 307.350 1.970 20 5 DDBDRO O=[N+]([O-])c1ccc(Cc2noc([C@H]3C[C@]34CC[NH2+]C4)n2)nc1 ZINC000822862387 705063340 /nfs/dbraw/zinc/06/33/40/705063340.db2.gz ILPPFYHVCITXAH-RISCZKNCSA-N 1 0 301.306 1.431 20 5 DDBDRO Nc1ccc(NC(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000824002999 705352514 /nfs/dbraw/zinc/35/25/14/705352514.db2.gz LCFJYEHIXOROSD-NEPJUHHUSA-N 1 0 319.365 1.925 20 5 DDBDRO O=C(/C=C\[C@H]1CCC[NH2+]C1)NCCNc1ccccc1[N+](=O)[O-] ZINC000876563378 705759929 /nfs/dbraw/zinc/75/99/29/705759929.db2.gz FFTYUZWKAKWBJJ-MEJMFZKBSA-N 1 0 318.377 1.679 20 5 DDBDRO CN(C(=O)[C@](C)(N)c1cccc([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000876805573 705884834 /nfs/dbraw/zinc/88/48/34/705884834.db2.gz DVDGWIJCFOYRMY-MRXNPFEDSA-N 1 0 320.393 1.321 20 5 DDBDRO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000863319843 705900481 /nfs/dbraw/zinc/90/04/81/705900481.db2.gz QBMUFEZIHUGANZ-KUGGDMIFSA-N 1 0 319.361 1.181 20 5 DDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@H]3CCN(CC4CC4)C3)C2)c1 ZINC000877024792 705963199 /nfs/dbraw/zinc/96/31/99/705963199.db2.gz OKRZWAGGPPPMIK-HSBZDZAISA-N 1 0 305.382 1.569 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000827269757 705965021 /nfs/dbraw/zinc/96/50/21/705965021.db2.gz ZUSKEJGTJNQOAH-FZMZJTMJSA-N 1 0 319.361 1.770 20 5 DDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@H](CO)c3ccccc3)C2)c1 ZINC000877034413 705967003 /nfs/dbraw/zinc/96/70/03/705967003.db2.gz HIDORBGSWCKRPQ-SSDMNJCBSA-N 1 0 302.334 1.818 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000827310041 705972740 /nfs/dbraw/zinc/97/27/40/705972740.db2.gz JJKDZNCTCYJWRH-HIFRSBDPSA-N 1 0 303.362 1.690 20 5 DDBDRO C[C@H]([NH3+])CN(C)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000877105060 705985274 /nfs/dbraw/zinc/98/52/74/705985274.db2.gz LSHZMOLRUIYMEE-LBPRGKRZSA-N 1 0 320.393 1.617 20 5 DDBDRO CC1(C)CC[C@H](CNC(=O)COc2ccccc2[N+](=O)[O-])[NH2+]C1 ZINC000877157278 706001335 /nfs/dbraw/zinc/00/13/35/706001335.db2.gz BVPXEFXQIVZVQV-GFCCVEGCSA-N 1 0 321.377 1.868 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000827459524 706006834 /nfs/dbraw/zinc/00/68/34/706006834.db2.gz LMLBUQVYBVEQGL-CYBMUJFWSA-N 1 0 321.381 1.233 20 5 DDBDRO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(F)cc1[N+](=O)[O-] ZINC000877245854 706032027 /nfs/dbraw/zinc/03/20/27/706032027.db2.gz OHICZKKOWFAJHD-YHPBZONMSA-N 1 0 307.325 1.994 20 5 DDBDRO O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)c1ccccc1[N+](=O)[O-] ZINC000877336304 706068357 /nfs/dbraw/zinc/06/83/57/706068357.db2.gz IZRJXWNNXCSNKT-LBPRGKRZSA-N 1 0 319.361 1.483 20 5 DDBDRO CCO[C@H]1COCC[C@H]1[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877344989 706073267 /nfs/dbraw/zinc/07/32/67/706073267.db2.gz SRUQEPWLEGRFJT-QUINOFQRSA-N 1 0 310.354 1.278 20 5 DDBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)c1 ZINC000877378969 706086829 /nfs/dbraw/zinc/08/68/29/706086829.db2.gz HXOBGTWNKUKQBQ-ZUZCIYMTSA-N 1 0 321.402 1.998 20 5 DDBDRO COc1ccc(CC(=O)N[C@]23CCC[C@H]2[NH2+]CC3)cc1[N+](=O)[O-] ZINC000877393706 706093682 /nfs/dbraw/zinc/09/36/82/706093682.db2.gz QTNLEGLPMLDZHA-ZBFHGGJFSA-N 1 0 319.361 1.547 20 5 DDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@H]3[C@@H]4OC[C@@H]5C[C@H]3C[C@@H]54)C2)c1 ZINC000877681087 706178581 /nfs/dbraw/zinc/17/85/81/706178581.db2.gz DNKLFMPWBQKNNT-PERSJFDISA-N 1 0 304.350 1.508 20 5 DDBDRO Cn1nnnc1CC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000878286531 706347595 /nfs/dbraw/zinc/34/75/95/706347595.db2.gz QCTORVWPNQDTLS-UHFFFAOYSA-N 1 0 302.338 1.325 20 5 DDBDRO Cc1ccc(CSc2nnnn2CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000865352750 706411380 /nfs/dbraw/zinc/41/13/80/706411380.db2.gz GOLJYQRMHIREGK-UHFFFAOYSA-N 1 0 322.394 1.744 20 5 DDBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000832450853 706917023 /nfs/dbraw/zinc/91/70/23/706917023.db2.gz POVCLOHFRFQGCJ-GJZGRUSLSA-N 1 0 321.377 1.619 20 5 DDBDRO C[C@@H]1CC[C@H](CO)[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000880438417 706976422 /nfs/dbraw/zinc/97/64/22/706976422.db2.gz GVQVSSOQKLFHAH-BXUZGUMPSA-N 1 0 307.350 1.769 20 5 DDBDRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000832908240 706997622 /nfs/dbraw/zinc/99/76/22/706997622.db2.gz HJAFSZMXKGDSKJ-BXUZGUMPSA-N 1 0 309.366 1.473 20 5 DDBDRO CC(C)(C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)(F)F ZINC000872231236 707339766 /nfs/dbraw/zinc/33/97/66/707339766.db2.gz FAEJEDLTFKVXQL-SNVBAGLBSA-N 1 0 306.313 1.423 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCN(C)c2ncccc2C1 ZINC000872319240 707380424 /nfs/dbraw/zinc/38/04/24/707380424.db2.gz BOWFMTCKPFEVLS-UHFFFAOYSA-N 1 0 316.365 1.447 20 5 DDBDRO C[NH+](C)CC(C)(C)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000837240626 707602889 /nfs/dbraw/zinc/60/28/89/707602889.db2.gz BWZMWTUORHLILI-UHFFFAOYSA-N 1 0 310.310 1.573 20 5 DDBDRO CC(C)C[C@@H]1C[N@H+](C)CCN1c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000896650108 708108075 /nfs/dbraw/zinc/10/80/75/708108075.db2.gz CXLCCTQLXNOYHE-CYBMUJFWSA-N 1 0 320.393 1.860 20 5 DDBDRO O=[N+]([O-])c1ncccc1CN1CC[NH+](CC2CCOCC2)CC1 ZINC000886014269 708681950 /nfs/dbraw/zinc/68/19/50/708681950.db2.gz DAAAJKZLZBUUOG-UHFFFAOYSA-N 1 0 320.393 1.534 20 5 DDBDRO O=[N+]([O-])c1ncccc1CN1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000886034773 708685813 /nfs/dbraw/zinc/68/58/13/708685813.db2.gz FYJWGAZOFFQQCA-ZDUSSCGKSA-N 1 0 306.366 1.144 20 5 DDBDRO CCC[C@H]1CN(Cc2cccnc2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000886099364 708698250 /nfs/dbraw/zinc/69/82/50/708698250.db2.gz YCOUMOUUFTXCCA-HNNXBMFYSA-N 1 0 322.409 1.923 20 5 DDBDRO CN1CC[NH+](C2CCN(Cc3cccnc3[N+](=O)[O-])CC2)CC1 ZINC000886310002 708740362 /nfs/dbraw/zinc/74/03/62/708740362.db2.gz ASEJZJCAEWHWNA-UHFFFAOYSA-N 1 0 319.409 1.202 20 5 DDBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCN1CCNC1=O ZINC000886746935 708834247 /nfs/dbraw/zinc/83/42/47/708834247.db2.gz GJBRYZOPHQPHCV-JTQLQIEISA-N 1 0 310.329 1.280 20 5 DDBDRO CCN(CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@H]1CC[NH2+]C1 ZINC000886854292 708865130 /nfs/dbraw/zinc/86/51/30/708865130.db2.gz IPQMJRARKVREEC-AWEZNQCLSA-N 1 0 318.377 1.168 20 5 DDBDRO [NH3+]CCN(CCn1ccc([N+](=O)[O-])n1)Cc1cccc(Cl)c1 ZINC000886862071 708869202 /nfs/dbraw/zinc/86/92/02/708869202.db2.gz XCZKGYAMONYGTK-UHFFFAOYSA-N 1 0 323.784 1.906 20 5 DDBDRO C[NH+]1CCC2(CCN2C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000899911161 709234977 /nfs/dbraw/zinc/23/49/77/709234977.db2.gz QRGDAMPUVFFQLL-OAHLLOKOSA-N 1 0 305.378 1.798 20 5 DDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000900160822 709311495 /nfs/dbraw/zinc/31/14/95/709311495.db2.gz ZUNCBDSAYAKBDW-MRXNPFEDSA-N 1 0 321.377 1.400 20 5 DDBDRO Cn1c(C(=O)N2CCC([NH2+]C3CCC3)CC2)ccc1[N+](=O)[O-] ZINC000889837703 709653069 /nfs/dbraw/zinc/65/30/69/709653069.db2.gz GFGDFGXJXGOTKA-UHFFFAOYSA-N 1 0 306.366 1.680 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[N@H+](CC)C[C@@H]2C)n1 ZINC000910279790 709862577 /nfs/dbraw/zinc/86/25/77/709862577.db2.gz NCCTXQRPUDQRJA-NSHDSACASA-N 1 0 309.370 1.368 20 5 DDBDRO COc1cccc(C(=O)N[C@]2(C)C[NH+]3CCC2CC3)c1[N+](=O)[O-] ZINC000892770159 710495691 /nfs/dbraw/zinc/49/56/91/710495691.db2.gz XGNJXVPERUOYKB-MRXNPFEDSA-N 1 0 319.361 1.818 20 5 DDBDRO C[C@@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000893026408 710543637 /nfs/dbraw/zinc/54/36/37/710543637.db2.gz MXNALHLYDRBDCL-CHWSQXEVSA-N 1 0 323.397 1.513 20 5 DDBDRO C[C@]1(Br)C[C@H]1C[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000893134366 710559949 /nfs/dbraw/zinc/55/99/49/710559949.db2.gz KMNVUJFLVKPYCW-WPRPVWTQSA-N 1 0 303.160 1.554 20 5 DDBDRO C[C@H]1[C@H](NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC[N@@H+]1C ZINC000928447860 713201139 /nfs/dbraw/zinc/20/11/39/713201139.db2.gz AHXPGXYLZZGPRL-TVQRCGJNSA-N 1 0 302.334 1.899 20 5 DDBDRO C[C@H]1[C@H](NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CC[N@@H+]1C ZINC000928459991 713206138 /nfs/dbraw/zinc/20/61/38/713206138.db2.gz YYGSZSDOSAXUHI-GXFFZTMASA-N 1 0 317.349 1.153 20 5 DDBDRO C[C@@H]1[C@H](C(=O)NCc2cc([N+](=O)[O-])c(F)cc2F)CC[N@@H+]1C ZINC000911474176 710813126 /nfs/dbraw/zinc/81/31/26/710813126.db2.gz KWVNQFSHKFRZSR-PSASIEDQSA-N 1 0 313.304 1.829 20 5 DDBDRO C[C@H](NC(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1)c1ccccc1[N+](=O)[O-] ZINC000894016735 710928872 /nfs/dbraw/zinc/92/88/72/710928872.db2.gz VJJCUPAFSPLQEB-RWMBFGLXSA-N 1 0 318.377 1.859 20 5 DDBDRO C[NH2+][C@@H]1CCCN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000911737662 710958618 /nfs/dbraw/zinc/95/86/18/710958618.db2.gz YEMHMGAIOIXBPR-CYBMUJFWSA-N 1 0 309.341 1.877 20 5 DDBDRO C[NH2+]C1CCN(C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC000911788005 710988464 /nfs/dbraw/zinc/98/84/64/710988464.db2.gz YSZJWUDAMFELRN-HUUCEWRRSA-N 1 0 303.362 1.909 20 5 DDBDRO CN1CC[C@H]1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000903321936 711095843 /nfs/dbraw/zinc/09/58/43/711095843.db2.gz KBEIQCVHFJZLNO-INIZCTEOSA-N 1 0 304.394 1.857 20 5 DDBDRO CN(CC[N@H+](C)CCO)c1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000894591674 711199130 /nfs/dbraw/zinc/19/91/30/711199130.db2.gz TXPXEUKBMSBUSB-UHFFFAOYSA-N 1 0 322.287 1.369 20 5 DDBDRO C[NH2+]CCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C(C)C ZINC000903570724 711201991 /nfs/dbraw/zinc/20/19/91/711201991.db2.gz ZRDDJNRMVCSFKT-UHFFFAOYSA-N 1 0 324.381 1.472 20 5 DDBDRO C[NH2+]CCN(C(C)C)S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000903588372 711212016 /nfs/dbraw/zinc/21/20/16/711212016.db2.gz LCJZTIFAWMTLGU-UHFFFAOYSA-N 1 0 315.395 1.522 20 5 DDBDRO COc1ccc(OCCN2CCC[C@]23CC[NH2+]C3)c([N+](=O)[O-])c1 ZINC000903867231 711308936 /nfs/dbraw/zinc/30/89/36/711308936.db2.gz OAUMEHCTRMTQOP-MRXNPFEDSA-N 1 0 321.377 1.810 20 5 DDBDRO C[NH+](C)C[C@@]1(O)CCN(c2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000895008926 711364663 /nfs/dbraw/zinc/36/46/63/711364663.db2.gz JHLOPSLSCCOMCH-INIZCTEOSA-N 1 0 316.361 1.646 20 5 DDBDRO C[NH+](C)C[C@@]1(O)CCN(c2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000895010683 711365977 /nfs/dbraw/zinc/36/59/77/711365977.db2.gz VOBQWWNLHLIDHA-INIZCTEOSA-N 1 0 316.361 1.646 20 5 DDBDRO COC(=O)c1cc(C)nc(N[C@@H]2CC[N@H+](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000895734804 711590351 /nfs/dbraw/zinc/59/03/51/711590351.db2.gz AUPOKUSTSAFVKI-MWLCHTKSSA-N 1 0 308.338 1.589 20 5 DDBDRO Nc1ccc(NC[C@H]2CC[N@@H+]2C2CCOCC2)c([N+](=O)[O-])c1 ZINC000896523026 711737998 /nfs/dbraw/zinc/73/79/98/711737998.db2.gz LYKGNZVNOQOPIZ-CYBMUJFWSA-N 1 0 306.366 1.842 20 5 DDBDRO O=C(c1cc(Cl)c[nH]1)N1CCC([NH2+]CC[N+](=O)[O-])CC1 ZINC000905258050 711982344 /nfs/dbraw/zinc/98/23/44/711982344.db2.gz VWWBUJDZIWHZKP-UHFFFAOYSA-N 1 0 300.746 1.139 20 5 DDBDRO O=[N+]([O-])CC[NH2+]C[C@H](CO)Cc1ccccc1C(F)(F)F ZINC000905339749 712006876 /nfs/dbraw/zinc/00/68/76/712006876.db2.gz BXCZHUKEIKLCAI-SNVBAGLBSA-N 1 0 306.284 1.723 20 5 DDBDRO C[C@@H]1[C@@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CCN1C ZINC000905541421 712071505 /nfs/dbraw/zinc/07/15/05/712071505.db2.gz OTYZJJSNZBDLMG-AGIUHOORSA-N 1 0 309.366 1.017 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@@H]2C[C@@H]3COC[C@@H]3O2)cc1 ZINC000905573000 712082424 /nfs/dbraw/zinc/08/24/24/712082424.db2.gz SVNNADQRZUGXCC-UNQGMJICSA-N 1 0 308.334 1.022 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1[C@H](C)C[N@H+](C)[C@H](C)[C@@H]1C ZINC000905984564 712209624 /nfs/dbraw/zinc/20/96/24/712209624.db2.gz NCNNTYGLVNKZES-MXWKQRLJSA-N 1 0 309.370 1.039 20 5 DDBDRO CC(C)[NH2+]C1(CO)CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000908587390 712815821 /nfs/dbraw/zinc/81/58/21/712815821.db2.gz QOVCZWARDWGFKD-UHFFFAOYSA-N 1 0 321.377 1.560 20 5 DDBDRO COc1ccc(CNC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000914300034 713372998 /nfs/dbraw/zinc/37/29/98/713372998.db2.gz HTEHOWVAIWSVAU-ZYHUDNBSSA-N 1 0 322.365 1.495 20 5 DDBDRO COC[C@H](C)[NH2+]CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000916571040 713458299 /nfs/dbraw/zinc/45/82/99/713458299.db2.gz RZPQZVLFMUHUDK-QMMMGPOBSA-N 1 0 301.730 1.811 20 5 DDBDRO C[NH+](C)C1CC(NS(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000916929119 713474793 /nfs/dbraw/zinc/47/47/93/713474793.db2.gz CQFSQQDXEAVYJK-UHFFFAOYSA-N 1 0 305.381 1.027 20 5 DDBDRO O=C(NCC[NH+]1CCCC1)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000929461212 713615254 /nfs/dbraw/zinc/61/52/54/713615254.db2.gz GHYACIMYXHBMTN-LSDHHAIUSA-N 1 0 303.362 1.910 20 5 DDBDRO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](CC[N+](=O)[O-])C1 ZINC000929720396 713675570 /nfs/dbraw/zinc/67/55/70/713675570.db2.gz GALUPPPFUPLDIO-SNVBAGLBSA-N 1 0 311.304 1.386 20 5 DDBDRO COC(=O)[C@]1(NCC[N+](=O)[O-])CCC[N@H+](Cc2ccccc2)C1 ZINC000930151969 713768268 /nfs/dbraw/zinc/76/82/68/713768268.db2.gz LCIZYEGFWABZKM-INIZCTEOSA-N 1 0 321.377 1.061 20 5 DDBDRO CC(C)(C)OC(=O)NCC[C@@H]1CCC[N@H+](CC[N+](=O)[O-])C1 ZINC000930328133 713805107 /nfs/dbraw/zinc/80/51/07/713805107.db2.gz ZKDCHSXRAGRBNY-LBPRGKRZSA-N 1 0 301.387 1.890 20 5 DDBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000931046074 713990005 /nfs/dbraw/zinc/99/00/05/713990005.db2.gz SKQUKHNFBJANNQ-YPMHNXCESA-N 1 0 306.366 1.558 20 5 DDBDRO Cn1nnc2c1C[C@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])CC2 ZINC000922993530 714207050 /nfs/dbraw/zinc/20/70/50/714207050.db2.gz LRGJTHBAJXAKAR-DIECRNLCSA-N 1 0 313.361 1.884 20 5 DDBDRO CC(C)(C)NC(=O)[C@H]1CCCN1CCn1ccc([N+](=O)[O-])n1 ZINC000932438781 714331361 /nfs/dbraw/zinc/33/13/61/714331361.db2.gz UMVWROSVRIQQCO-LLVKDONJSA-N 1 0 309.370 1.170 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)CN2CC[C@]3(C2)CCCC[NH2+]3)c1 ZINC000923531111 714392292 /nfs/dbraw/zinc/39/22/92/714392292.db2.gz PEUSBIICCFIRIQ-CVEARBPZSA-N 1 0 305.378 1.846 20 5 DDBDRO NC(=O)[C@]12CCC[C@H]1C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C2 ZINC000933760147 714666046 /nfs/dbraw/zinc/66/60/46/714666046.db2.gz QMHZPWBFYBPASN-LRDDRELGSA-N 1 0 319.361 1.561 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@@H](CCO)C1CCCC1 ZINC000934009953 714721329 /nfs/dbraw/zinc/72/13/29/714721329.db2.gz BYXYWJFEEDQESY-AWEZNQCLSA-N 1 0 309.366 1.287 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000934547763 714848407 /nfs/dbraw/zinc/84/84/07/714848407.db2.gz JEJQFWUGRDZFLK-CYBMUJFWSA-N 1 0 323.397 1.194 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N(C)CCC[NH+]1CCCC1 ZINC000935795113 715128935 /nfs/dbraw/zinc/12/89/35/715128935.db2.gz BUHVSMYJHHDSFR-UHFFFAOYSA-N 1 0 309.370 1.044 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@H](C)[N@H+](C)C[C@H]1C ZINC001164637378 719161059 /nfs/dbraw/zinc/16/10/59/719161059.db2.gz OKGXOHOZYHVQBG-VHSXEESVSA-N 1 0 308.338 1.305 20 5 DDBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1)C(F)F ZINC001021758044 733521361 /nfs/dbraw/zinc/52/13/61/733521361.db2.gz INWFLIADYUZJMR-OCAPTIKFSA-N 1 0 305.306 1.658 20 5 DDBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)c1ccon1 ZINC001021870081 733631163 /nfs/dbraw/zinc/63/11/63/733631163.db2.gz RSJDBCSCBLRBOW-TXEJJXNPSA-N 1 0 316.317 1.633 20 5 DDBDRO O=C(N[C@H]1C[C@@H]([NH2+]CCc2cccs2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001022063605 734368163 /nfs/dbraw/zinc/36/81/63/734368163.db2.gz FWBWCMDAKVZSON-LYIQGSDWSA-N 1 0 309.391 1.193 20 5 DDBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)c1cc[nH]c1 ZINC001022115604 734394808 /nfs/dbraw/zinc/39/48/08/734394808.db2.gz LVVYCDXCCWHZAC-OKILXGFUSA-N 1 0 314.345 1.974 20 5 DDBDRO Cc1cc(CC(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001125542684 734451907 /nfs/dbraw/zinc/45/19/07/734451907.db2.gz UJKJILJPBVVAMD-UHFFFAOYSA-N 1 0 317.349 1.075 20 5 DDBDRO O=C(N[C@@H]1[C@H]2C[N@H+](CCC3CCCCC3)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025775474 736853262 /nfs/dbraw/zinc/85/32/62/736853262.db2.gz CLHOPWQTGIPTRP-LJIZCISZSA-N 1 0 321.421 1.668 20 5 DDBDRO CCOc1cc([N+](=O)[O-])ccc1N[C@H](CCC[NH3+])C(=O)OC ZINC001167898728 739206690 /nfs/dbraw/zinc/20/66/90/739206690.db2.gz CCWUJOPWKAZMNV-GFCCVEGCSA-N 1 0 311.338 1.686 20 5 DDBDRO O=C(NCC[NH2+]Cc1cccc(Cl)c1F)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126932315 742777098 /nfs/dbraw/zinc/77/70/98/742777098.db2.gz RVGSJGHVXXKQAP-MWLCHTKSSA-N 1 0 315.732 1.350 20 5 DDBDRO Cc1cccc(Cl)c1C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126936277 742831075 /nfs/dbraw/zinc/83/10/75/742831075.db2.gz DTKRSNYHPKMXJM-ZWNOBZJWSA-N 1 0 311.769 1.519 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@H](C)[NH+]2CCCCC2)n1 ZINC001182440004 743623482 /nfs/dbraw/zinc/62/34/82/743623482.db2.gz HTBCIMZMMYAJRY-LBPRGKRZSA-N 1 0 306.366 1.902 20 5 DDBDRO Cn1cc([N+](=O)[O-])c(N2CCC[N@H+](C[C@@H]3CCCO3)CC2)n1 ZINC001184820537 744108392 /nfs/dbraw/zinc/10/83/92/744108392.db2.gz MAMYYVNCMNRJTI-LBPRGKRZSA-N 1 0 309.370 1.019 20 5 DDBDRO [NH3+]CC[C@@H]1CCN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])C1 ZINC001122297309 745348073 /nfs/dbraw/zinc/34/80/73/745348073.db2.gz YALUYXSEUUQFCJ-LLVKDONJSA-N 1 0 309.341 1.864 20 5 DDBDRO CCN(CCNc1ncccc1[N+](=O)[O-])C(=O)C[N@H+](C)C(C)C ZINC001106778868 746064862 /nfs/dbraw/zinc/06/48/62/746064862.db2.gz LEKPZBOCZKFGSY-UHFFFAOYSA-N 1 0 323.397 1.590 20 5 DDBDRO C[NH+](C)[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000106363535 748676365 /nfs/dbraw/zinc/67/63/65/748676365.db2.gz YYRHZIIMNOZMJI-NSHDSACASA-N 1 0 322.321 1.669 20 5 DDBDRO Cc1ncn(-c2cc(C)c([N+](=O)[O-])cn2)c1CSCC[NH3+] ZINC001168787268 761949599 /nfs/dbraw/zinc/94/95/99/761949599.db2.gz FKVYERIUJYAHNJ-UHFFFAOYSA-N 1 0 307.379 1.984 20 5 DDBDRO Cc1ccccc1C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000996430048 749588705 /nfs/dbraw/zinc/58/87/05/749588705.db2.gz YXOXEIMHRPGQQW-HZPDHXFCSA-N 1 0 317.389 1.741 20 5 DDBDRO CCC[N@H+](C)CC(=O)NC/C=C\CNc1ccc([N+](=O)[O-])cn1 ZINC001107280245 749725803 /nfs/dbraw/zinc/72/58/03/749725803.db2.gz KCPOKOSXAZUPNK-PLNGDYQASA-N 1 0 321.381 1.416 20 5 DDBDRO O=C(NCCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1ccncn1 ZINC001168803708 762039698 /nfs/dbraw/zinc/03/96/98/762039698.db2.gz DCMAIPABFZRHRW-UHFFFAOYSA-N 1 0 315.333 1.295 20 5 DDBDRO COc1nc(C)c(N(CC[NH3+])c2cccnc2)cc1[N+](=O)[O-] ZINC001168835950 762061884 /nfs/dbraw/zinc/06/18/84/762061884.db2.gz FLZVTEQWECRSGP-UHFFFAOYSA-N 1 0 303.322 1.799 20 5 DDBDRO O=C(C[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)NCc1ccc(F)cc1 ZINC001168993543 762166880 /nfs/dbraw/zinc/16/68/80/762166880.db2.gz NAVBKQFKQNGWLY-TZMCWYRMSA-N 1 0 309.341 1.477 20 5 DDBDRO CC(C)(C)OC(=O)[C@H](N)C1C[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169004388 762173851 /nfs/dbraw/zinc/17/38/51/762173851.db2.gz QVSSBOHAVPBVRD-KGYLQXTDSA-N 1 0 313.398 1.033 20 5 DDBDRO COC(=O)[C@H](C[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccccc1 ZINC001169006300 762173965 /nfs/dbraw/zinc/17/39/65/762173965.db2.gz XEMYOWHNMRRBIY-BPLDGKMQSA-N 1 0 306.362 1.978 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCC(N3CC(F)(F)C3)CC2)C1 ZINC001169034231 762189315 /nfs/dbraw/zinc/18/93/15/762189315.db2.gz GGDLPUMYMQZTFY-DGCLKSJQSA-N 1 0 303.353 1.847 20 5 DDBDRO COC[C@]12CCCO[C@@H]1CC[N@@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169022097 762200769 /nfs/dbraw/zinc/20/07/69/762200769.db2.gz MUZSECJYXQWMOG-ZJIFWQFVSA-N 1 0 312.410 1.949 20 5 DDBDRO CCC1=NC2(CC[NH+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)C(=O)N1C ZINC001169053541 762208317 /nfs/dbraw/zinc/20/83/17/762208317.db2.gz IKTLOEJHAYPBIU-CHWSQXEVSA-N 1 0 322.409 1.547 20 5 DDBDRO [NH3+]Cc1cccc2c1cnn2-c1c(F)c([N+](=O)[O-])cc[n+]1[O-] ZINC001169191026 762274095 /nfs/dbraw/zinc/27/40/95/762274095.db2.gz FWKQJUAYFSQNEP-UHFFFAOYSA-N 1 0 303.253 1.165 20 5 DDBDRO [NH3+]Cc1cccc2c1cnn2-c1ncnc2[nH]cc([N+](=O)[O-])c21 ZINC001169192278 762275586 /nfs/dbraw/zinc/27/55/86/762275586.db2.gz NHFOIJALAATNDB-UHFFFAOYSA-N 1 0 309.289 1.664 20 5 DDBDRO COC(=O)COc1c(C)cc(-n2ccc(C[NH3+])c2)cc1[N+](=O)[O-] ZINC001169726375 762609103 /nfs/dbraw/zinc/60/91/03/762609103.db2.gz VCQUFMROOOXUJP-UHFFFAOYSA-N 1 0 319.317 1.704 20 5 DDBDRO COCC1(C(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC001131310838 767984171 /nfs/dbraw/zinc/98/41/71/767984171.db2.gz FODAGIRRPDBXPB-UHFFFAOYSA-N 1 0 313.379 1.289 20 5 DDBDRO O=C(CCc1ccon1)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001131342763 768000303 /nfs/dbraw/zinc/00/03/03/768000303.db2.gz JPTRJAPMKFRTRV-UHFFFAOYSA-N 1 0 318.333 1.421 20 5 DDBDRO COCC1(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])CCC1 ZINC001131427961 768124425 /nfs/dbraw/zinc/12/44/25/768124425.db2.gz PYHZPRDDWVHLGG-UHFFFAOYSA-N 1 0 321.377 1.617 20 5 DDBDRO O=C(COCC(F)F)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001131766050 768354530 /nfs/dbraw/zinc/35/45/30/768354530.db2.gz YGIXOBRNAWGOLB-UHFFFAOYSA-N 1 0 317.292 1.082 20 5 DDBDRO COC(=O)COc1c(C)cc(NCC2C[NH+](C)C2)cc1[N+](=O)[O-] ZINC001170258743 766206961 /nfs/dbraw/zinc/20/69/61/766206961.db2.gz LUWNVBSHCDOXSE-UHFFFAOYSA-N 1 0 323.349 1.429 20 5 DDBDRO COc1ccc(C[C@H](C)[NH2+][C@]2(CO)CCOC2)c([N+](=O)[O-])c1 ZINC001170326842 766253101 /nfs/dbraw/zinc/25/31/01/766253101.db2.gz OPKQIYFKWLATPI-NHYWBVRUSA-N 1 0 310.350 1.275 20 5 DDBDRO COc1ccc(C[C@@H](C)[NH2+]C[C@H]2COCCO2)c([N+](=O)[O-])c1 ZINC001170309770 766259543 /nfs/dbraw/zinc/25/95/43/766259543.db2.gz SRDSACQNCAPGHW-RISCZKNCSA-N 1 0 310.350 1.539 20 5 DDBDRO CCOCC1(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001130413304 767507158 /nfs/dbraw/zinc/50/71/58/767507158.db2.gz VEGTZZQVVMORII-UHFFFAOYSA-N 1 0 321.377 1.617 20 5 DDBDRO COC(=O)c1ccnc(N2CCC[C@](C)(C[NH3+])C2)c1[N+](=O)[O-] ZINC001158678248 769042973 /nfs/dbraw/zinc/04/29/73/769042973.db2.gz FGULPYSTUFYOEV-CQSZACIVSA-N 1 0 308.338 1.342 20 5 DDBDRO Cc1ccnn1CC(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001134513537 771023566 /nfs/dbraw/zinc/02/35/66/771023566.db2.gz WAMLRLVIWCQTEB-UHFFFAOYSA-N 1 0 317.349 1.006 20 5 DDBDRO CC[NH+](CC)CC(=O)N[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001097030169 771601314 /nfs/dbraw/zinc/60/13/14/771601314.db2.gz STSVJVAMAGLKMZ-HDJSIYSDSA-N 1 0 320.393 1.996 20 5 DDBDRO CC[N@@H+]1CCC[C@H](CNC(=O)c2cnc(N)c([N+](=O)[O-])c2)C1 ZINC001136444167 771969431 /nfs/dbraw/zinc/96/94/31/771969431.db2.gz CQCSSZUFUUEYEK-SNVBAGLBSA-N 1 0 307.354 1.034 20 5 DDBDRO CCOC(=O)CN(CC[NH3+])c1ncc(C(C)(C)C)cc1[N+](=O)[O-] ZINC001170993123 772037215 /nfs/dbraw/zinc/03/72/15/772037215.db2.gz YWZUQPCCEFMOBN-UHFFFAOYSA-N 1 0 324.381 1.616 20 5 DDBDRO C[NH+](C)CCC(=O)NC[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001091397896 772720709 /nfs/dbraw/zinc/72/07/09/772720709.db2.gz XZPXOGDLFTWXAS-XBXGTLAGSA-N 1 0 320.393 1.853 20 5 DDBDRO Cn1cc(N2c3ccccc3OC[C@H]2C[NH3+])cc([N+](=O)[O-])c1=O ZINC001171401453 774508794 /nfs/dbraw/zinc/50/87/94/774508794.db2.gz WFUVQIDIFJSFRU-LLVKDONJSA-N 1 0 316.317 1.151 20 5 DDBDRO C[NH+]1CCC(CC(=O)NCCNc2ccc([N+](=O)[O-])cn2)CC1 ZINC001093874187 775171401 /nfs/dbraw/zinc/17/14/01/775171401.db2.gz OEXKFBVHFBPIKW-UHFFFAOYSA-N 1 0 321.381 1.250 20 5 DDBDRO CC[N@H+](C)C(C)(C)C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC001093953310 775261987 /nfs/dbraw/zinc/26/19/87/775261987.db2.gz WNHZPSIMTMBWJC-UHFFFAOYSA-N 1 0 308.382 1.853 20 5 DDBDRO O=C(NCCNc1ccc([N+](=O)[O-])cn1)C12CCC[NH+]1CCC2 ZINC001094247896 775585613 /nfs/dbraw/zinc/58/56/13/775585613.db2.gz LKTSZGXLKNIYCV-UHFFFAOYSA-N 1 0 319.365 1.146 20 5 DDBDRO CN(CCNC(=O)C1([NH+](C)C)CCC1)c1ccc([N+](=O)[O-])cn1 ZINC001100195669 775801919 /nfs/dbraw/zinc/80/19/19/775801919.db2.gz BMXLOMZSLDZNAO-UHFFFAOYSA-N 1 0 321.381 1.027 20 5 DDBDRO Cc1cc([N+](=O)[O-])cnc1NCCCNC(=O)C[NH+]1CCCC1 ZINC001094434590 775858878 /nfs/dbraw/zinc/85/88/78/775858878.db2.gz MXHDERAAKCTWOM-UHFFFAOYSA-N 1 0 321.381 1.312 20 5 DDBDRO CCN(CCNC(=O)C[NH+]1CCCC1)c1ccccc1[N+](=O)[O-] ZINC001100534518 776280176 /nfs/dbraw/zinc/28/01/76/776280176.db2.gz KGTANPOQKIOAAL-UHFFFAOYSA-N 1 0 320.393 1.633 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2C[C@@H]3C[C@H](O)CC[C@@H]3C2)c1 ZINC001171936518 776536339 /nfs/dbraw/zinc/53/63/39/776536339.db2.gz BKJLBXHVRVZDOR-OCVGTWLNSA-N 1 0 306.362 1.721 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@@]1(CO)CCOC1)CC2 ZINC001172906260 776916661 /nfs/dbraw/zinc/91/66/61/776916661.db2.gz NJBVAVYIWWGRLU-GDBMZVCRSA-N 1 0 306.362 1.583 20 5 DDBDRO O=C1NC[C@@H](C[NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)O1 ZINC001172909220 776926242 /nfs/dbraw/zinc/92/62/42/776926242.db2.gz RBLIVRLKEGVZNA-GXTWGEPZSA-N 1 0 305.334 1.540 20 5 DDBDRO NC(=O)N1CC[NH+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172910622 776942254 /nfs/dbraw/zinc/94/22/54/776942254.db2.gz MQVZJCWJVPBKHY-AWEZNQCLSA-N 1 0 318.377 1.539 20 5 DDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC001173227588 777062189 /nfs/dbraw/zinc/06/21/89/777062189.db2.gz RCKIUXRDKGIMCO-WMLDXEAASA-N 1 0 319.405 1.932 20 5 DDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCCc1c[nH][nH]c1=O ZINC001173214235 777068214 /nfs/dbraw/zinc/06/82/14/777068214.db2.gz NRJILVNRLSXEAK-YPMHNXCESA-N 1 0 304.350 1.627 20 5 DDBDRO C[C@@H](C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)n1ccnc1 ZINC001116791172 780559327 /nfs/dbraw/zinc/55/93/27/780559327.db2.gz VWUQWCFSXZBHER-VIFPVBQESA-N 1 0 314.305 1.545 20 5 DDBDRO CCOC(=O)[C@@H]1C[NH2+]CCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC001118261404 781077860 /nfs/dbraw/zinc/07/78/60/781077860.db2.gz UAGXPASIUGKCLJ-ZDUSSCGKSA-N 1 0 311.313 1.071 20 5 DDBDRO O=[N+]([O-])c1c2nonc2ccc1N1CC[NH+](CC2CC2)CC1 ZINC001120015201 781724117 /nfs/dbraw/zinc/72/41/17/781724117.db2.gz YTBREFWEVHUHRP-UHFFFAOYSA-N 1 0 303.322 1.663 20 5 DDBDRO Cc1nc(N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)ncc1[N+](=O)[O-] ZINC001120059083 781741730 /nfs/dbraw/zinc/74/17/30/781741730.db2.gz CZZSBHCZNFTIBZ-ZYHUDNBSSA-N 1 0 309.395 1.685 20 5 DDBDRO C[N@@H+](CC/C=C\c1ccccc1)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001267194118 837510333 /nfs/dbraw/zinc/51/03/33/837510333.db2.gz IYRBDORYQRGVDO-PLHDSQEVSA-N 1 0 317.389 1.803 20 5 DDBDRO CCC[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1ncccc1C ZINC001267314120 837806027 /nfs/dbraw/zinc/80/60/27/837806027.db2.gz IYILPONPPLJKQM-UKRRQHHQSA-N 1 0 320.393 1.383 20 5 DDBDRO CN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)Cc1cnoc1 ZINC001266813001 836871551 /nfs/dbraw/zinc/87/15/51/836871551.db2.gz CXAWZGWZAYFALF-UHFFFAOYSA-N 1 0 318.333 1.374 20 5 DDBDRO CN(CC[NH2+]Cc1cnc(Cl)s1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001267371572 837933874 /nfs/dbraw/zinc/93/38/74/837933874.db2.gz MNURSZIZQRDTLO-RKDXNWHRSA-N 1 0 318.786 1.010 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(N[C@@H](C)CN2CC[NH2+]CC2)nc1Cl ZINC001154748521 861420784 /nfs/dbraw/zinc/42/07/84/861420784.db2.gz BXBBASXSCLKWRS-JTQLQIEISA-N 1 0 313.789 1.657 20 5 DDBDRO O=C(NCC1([NH2+]CCCC2CCC2)CCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001326823795 861633963 /nfs/dbraw/zinc/63/39/63/861633963.db2.gz ZBCCBIFSBSTDGS-ZIAGYGMSSA-N 1 0 309.410 1.860 20 5 DDBDRO CCOC1(OCC)CC[NH2+]C[C@@H]1Nc1ncc(C)cc1[N+](=O)[O-] ZINC001155224521 861862698 /nfs/dbraw/zinc/86/26/98/861862698.db2.gz HBRRRVNQNGOQGP-ZDUSSCGKSA-N 1 0 324.381 1.841 20 5 DDBDRO O=C(NCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(=O)[nH]c1 ZINC001149747629 861873233 /nfs/dbraw/zinc/87/32/33/861873233.db2.gz RGZBHMYYVLLKRH-UHFFFAOYSA-N 1 0 316.317 1.215 20 5 DDBDRO CC[C@H]1[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CCC[C@]12CCC(=O)N2 ZINC001169021508 850518509 /nfs/dbraw/zinc/51/85/09/850518509.db2.gz LGKQCJPNRMFIDS-CTASWTNQSA-N 1 0 309.410 1.955 20 5 DDBDRO O=[N+]([O-])c1cc2ccccc2nc1NC[C@@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001155483805 862146189 /nfs/dbraw/zinc/14/61/89/862146189.db2.gz UAOBVAMYHKZEFJ-LALPHHSUSA-N 1 0 314.345 1.789 20 5 DDBDRO O=C1C[C@H]2[NH2+]CC[C@@]2(Nc2nccc3ccc([N+](=O)[O-])cc32)N1 ZINC001155573989 862244132 /nfs/dbraw/zinc/24/41/32/862244132.db2.gz DCFDSGHIEFPWCT-DOMZBBRYSA-N 1 0 313.317 1.133 20 5 DDBDRO O=[N+]([O-])c1c(Cl)ccnc1N[C@@H]1CCO[C@]2(CC[NH2+]C2)C1 ZINC001155616827 862293841 /nfs/dbraw/zinc/29/38/41/862293841.db2.gz GDNMKROVPPNUDS-NOZJJQNGSA-N 1 0 312.757 1.966 20 5 DDBDRO COc1nc(C)c([N+](=O)[O-])c(N[C@@H]2CCO[C@@]3(CC[NH2+]C3)C2)n1 ZINC001155619815 862299723 /nfs/dbraw/zinc/29/97/23/862299723.db2.gz ITXAZSXDTCCIDB-YGRLFVJLSA-N 1 0 323.353 1.025 20 5 DDBDRO O=C(NCCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1cscn1 ZINC001155684664 862375338 /nfs/dbraw/zinc/37/53/38/862375338.db2.gz ZCKUBFAOGVKKFM-UHFFFAOYSA-N 1 0 320.374 1.961 20 5 DDBDRO Nc1cc([N+](=O)[O-])cnc1N[C@H]1CCCC[C@@]12C[NH2+]CCO2 ZINC001155832749 862486507 /nfs/dbraw/zinc/48/65/07/862486507.db2.gz AKKKYLVENODWEN-GXTWGEPZSA-N 1 0 307.354 1.285 20 5 DDBDRO COC(=O)c1cc(C(=O)N[C@H]2CC[N@H+](C)[C@H]2C)cc([N+](=O)[O-])c1 ZINC001155892649 862536212 /nfs/dbraw/zinc/53/62/12/862536212.db2.gz KSKAISRNXXEDDA-ZANVPECISA-N 1 0 321.333 1.204 20 5 DDBDRO CCC[NH+]1CCC(CCOC)(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001151121704 862636047 /nfs/dbraw/zinc/63/60/47/862636047.db2.gz QYSAKHNHKFXLPY-CHWSQXEVSA-N 1 0 313.398 1.049 20 5 DDBDRO Cc1nccc(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])n1 ZINC001151311108 862725606 /nfs/dbraw/zinc/72/56/06/862725606.db2.gz JVJYRCUFAZJLSK-UHFFFAOYSA-N 1 0 315.333 1.213 20 5 DDBDRO C[NH2+]CCOCCN(C)C(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001122168364 858701845 /nfs/dbraw/zinc/70/18/45/858701845.db2.gz NYCULGRBBDKDGO-GJZGRUSLSA-N 1 0 321.377 1.393 20 5 DDBDRO Cn1cccc1C(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001123641499 859339185 /nfs/dbraw/zinc/33/91/85/859339185.db2.gz KILULVPHUYPLTE-UHFFFAOYSA-N 1 0 302.334 1.453 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NCC12CCC[NH+](CCC1)C2 ZINC001123941302 859486302 /nfs/dbraw/zinc/48/63/02/859486302.db2.gz ZWDULOBMQVIOHK-UHFFFAOYSA-N 1 0 306.366 1.539 20 5 DDBDRO CCc1ocnc1C(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001125109077 859896548 /nfs/dbraw/zinc/89/65/48/859896548.db2.gz KUEXCSQHYSXBFQ-UHFFFAOYSA-N 1 0 318.333 1.665 20 5 DDBDRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC001141747794 860927841 /nfs/dbraw/zinc/92/78/41/860927841.db2.gz IWQQCAPIFBBLQD-WDEREUQCSA-N 1 0 306.322 1.052 20 5 DDBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N2CC[NH2+][C@H](C)C2)n1 ZINC001156689286 863262986 /nfs/dbraw/zinc/26/29/86/863262986.db2.gz SWTHQBVKCOEKQD-ZCFIWIBFSA-N 1 0 303.775 1.558 20 5 DDBDRO O=C(NCCC[NH2+]Cc1ccccc1[N+](=O)[O-])C1=CCOCC1 ZINC001156960828 863478132 /nfs/dbraw/zinc/47/81/32/863478132.db2.gz RIWSXSVLVPVWRR-UHFFFAOYSA-N 1 0 319.361 1.537 20 5 DDBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1NC(=N)SCC[NH3+] ZINC001157129545 863600498 /nfs/dbraw/zinc/60/04/98/863600498.db2.gz OKMKFDXAKPZJIR-UHFFFAOYSA-N 1 0 313.339 1.205 20 5 DDBDRO COc1nc(C)c([N+](=O)[O-])c(N2CCCC[C@@]23CCC[NH2+]C3)n1 ZINC001157470953 863844094 /nfs/dbraw/zinc/84/40/94/863844094.db2.gz ACAQAQCTPSZDDX-HNNXBMFYSA-N 1 0 321.381 1.814 20 5 DDBDRO CCOC(=O)CN(CCC[NH3+])c1cc([N+](=O)[O-])cc(Cl)n1 ZINC001157544068 863904663 /nfs/dbraw/zinc/90/46/63/863904663.db2.gz CXASIPLVQMVQLJ-UHFFFAOYSA-N 1 0 316.745 1.362 20 5 DDBDRO O=C(NCCC[NH2+]CCCc1ccccc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157775026 864129225 /nfs/dbraw/zinc/12/92/25/864129225.db2.gz IHBQUDLKNCAOHR-HUUCEWRRSA-N 1 0 305.378 1.380 20 5 DDBDRO COc1nc(-n2cnc3ccc(C[NH3+])cc32)ncc1[N+](=O)[O-] ZINC001158007975 864354485 /nfs/dbraw/zinc/35/44/85/864354485.db2.gz WWKJEFCTGJWDBQ-UHFFFAOYSA-N 1 0 300.278 1.191 20 5 DDBDRO CC(C)N(c1cc([N+](=O)[O-])cc(Cl)[n+]1[O-])[C@H]1CC[NH2+]C1 ZINC001158032668 864371019 /nfs/dbraw/zinc/37/10/19/864371019.db2.gz KMPIAAHGSWOYHQ-VIFPVBQESA-N 1 0 300.746 1.458 20 5 DDBDRO Nc1c(C(=O)N2CCC([NH2+]C3CCC3)CC2)cccc1[N+](=O)[O-] ZINC001158566524 864733364 /nfs/dbraw/zinc/73/33/64/864733364.db2.gz DIBNYHWTFSRHOV-UHFFFAOYSA-N 1 0 318.377 1.924 20 5 DDBDRO Nc1cc([N+](=O)[O-])cnc1N1CCCc2ccc(C[NH3+])nc21 ZINC001158652945 864790448 /nfs/dbraw/zinc/79/04/48/864790448.db2.gz WKWCWDIGBDJKLL-UHFFFAOYSA-N 1 0 300.322 1.510 20 5 DDBDRO Cc1nn(CN2CCN(c3cc[nH+]cc3)[C@H](C)C2)cc1[N+](=O)[O-] ZINC001331051741 864806019 /nfs/dbraw/zinc/80/60/19/864806019.db2.gz UXWKGOMDVPYWFZ-GFCCVEGCSA-N 1 0 316.365 1.663 20 5 DDBDRO CCOC(=O)C1C[NH2+]CCC1=Nc1ncc([N+](=O)[O-])cc1F ZINC001159453193 865311640 /nfs/dbraw/zinc/31/16/40/865311640.db2.gz UXFJSINVSWAWSX-UHFFFAOYSA-N 1 0 310.285 1.351 20 5 DDBDRO O=[N+]([O-])c1cc2c(Cl)ncnc2cc1N[C@@H]1C[NH2+]C[C@@H]1CO ZINC001159672321 865459981 /nfs/dbraw/zinc/45/99/81/865459981.db2.gz OKMDSOBNDAGXLL-RDDDGLTNSA-N 1 0 323.740 1.184 20 5 DDBDRO Cc1cc(N[C@H]2C[NH2+]C[C@@H]2CO)nc2ccc([N+](=O)[O-])cc12 ZINC001159671300 865460065 /nfs/dbraw/zinc/46/00/65/865460065.db2.gz JFNQCZMYIUJROT-YGRLFVJLSA-N 1 0 302.334 1.444 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CCSCCN1CCOCC1 ZINC001332260793 865703803 /nfs/dbraw/zinc/70/38/03/865703803.db2.gz GRTKXCGSSRHYQM-UHFFFAOYSA-N 1 0 300.384 1.165 20 5 DDBDRO COc1ncc([N+](=O)[O-])cc1NCCCN1CC[NH+](C)CC1 ZINC001161708751 866918556 /nfs/dbraw/zinc/91/85/56/866918556.db2.gz VCAXGHLYYVUIGU-UHFFFAOYSA-N 1 0 309.370 1.048 20 5 DDBDRO O=C(NC/C=C\C[NH2+]CCc1ccccc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001321057400 867271045 /nfs/dbraw/zinc/27/10/45/867271045.db2.gz OQSCBMQGSPHXRD-ZYDHHDLOSA-N 1 0 303.362 1.156 20 5 DDBDRO CCn1nc(C)c([N+](=O)[O-])c1NCC(C)(C)N1CC[NH+](C)CC1 ZINC001321228001 867418440 /nfs/dbraw/zinc/41/84/40/867418440.db2.gz BQOBJYQRLKPRIP-UHFFFAOYSA-N 1 0 324.429 1.558 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])ncc1NC[C@H]1CCC[NH2+]C[C@H]1C ZINC001162470021 867556724 /nfs/dbraw/zinc/55/67/24/867556724.db2.gz HEDUNIDUFJQIOM-GHMZBOCLSA-N 1 0 322.365 1.824 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1c(F)ccc(Cl)c1F ZINC001225903641 882102426 /nfs/dbraw/zinc/10/24/26/882102426.db2.gz FJNCMSJXNADDGO-MRVPVSSYSA-N 1 0 308.732 1.981 20 5 DDBDRO CC[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001162810297 867844236 /nfs/dbraw/zinc/84/42/36/867844236.db2.gz IODISMHMRDBBSU-HUUCEWRRSA-N 1 0 305.378 1.332 20 5 DDBDRO O=[N+]([O-])c1cnc(NC[C@@H]2CCC3(CC[NH2+]CC3)CO2)cn1 ZINC001162964249 867954720 /nfs/dbraw/zinc/95/47/20/867954720.db2.gz XXYYJZKRWAGNIO-NSHDSACASA-N 1 0 307.354 1.346 20 5 DDBDRO O=[N+]([O-])c1ccc(Cl)nc1NCc1nnn2c1C[NH2+]CCC2 ZINC001162971321 867959332 /nfs/dbraw/zinc/95/93/32/867959332.db2.gz BJMZLSUFIAKZKY-UHFFFAOYSA-N 1 0 323.744 1.340 20 5 DDBDRO [NH3+]C[C@@H](CO)c1ccc(Nc2ncc(F)cc2[N+](=O)[O-])cc1 ZINC001163054315 868040889 /nfs/dbraw/zinc/04/08/89/868040889.db2.gz XZMQBBMAMKUGAJ-JTQLQIEISA-N 1 0 306.297 1.907 20 5 DDBDRO O=[N+]([O-])c1cc(N[C@@H]2COCCC23C[NH2+]C3)cc2cc[nH]c21 ZINC001163074092 868056971 /nfs/dbraw/zinc/05/69/71/868056971.db2.gz URTHSHRISPAYAJ-CYBMUJFWSA-N 1 0 302.334 1.867 20 5 DDBDRO C[C@@H]1CCN(CC[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC001335443218 868302618 /nfs/dbraw/zinc/30/26/18/868302618.db2.gz DQZUHENHIFOPGC-ZIAGYGMSSA-N 1 0 323.393 1.266 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(NC[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)n1 ZINC001163279750 868304180 /nfs/dbraw/zinc/30/41/80/868304180.db2.gz OEAOPRSPWUWTLF-IUODEOHRSA-N 1 0 306.366 1.869 20 5 DDBDRO COC(=O)c1cc(C)nc(N[C@H]2C[NH+]3CCC2CC3)c1[N+](=O)[O-] ZINC001163388266 868410669 /nfs/dbraw/zinc/41/06/69/868410669.db2.gz RRBDWZJPFJDGDQ-LBPRGKRZSA-N 1 0 320.349 1.591 20 5 DDBDRO COC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001322924379 868466406 /nfs/dbraw/zinc/46/64/06/868466406.db2.gz VJABMKNRGIAASX-WDEREUQCSA-N 1 0 318.333 1.902 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@H](C)CC[C@H]1C[NH3+] ZINC001164061689 868921468 /nfs/dbraw/zinc/92/14/68/868921468.db2.gz GUQPXEMAGBZVNJ-ZJUUUORDSA-N 1 0 308.338 1.340 20 5 DDBDRO O=C1NCCC12CC[NH+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC001336840567 869177003 /nfs/dbraw/zinc/17/70/03/869177003.db2.gz CZAULEOPWAVVQH-AWEZNQCLSA-N 1 0 319.361 1.230 20 5 DDBDRO COC(=O)c1ccnc(N2C[C@H](C[NH3+])CC[C@H]2C)c1[N+](=O)[O-] ZINC001164466935 869212343 /nfs/dbraw/zinc/21/23/43/869212343.db2.gz CMIHNMQJSHMORH-ZJUUUORDSA-N 1 0 308.338 1.340 20 5 DDBDRO COC(=O)Cc1ccc(OC[C@@H]2CN(C)CCO2)c([N+](=O)[O-])c1 ZINC001226216244 882282951 /nfs/dbraw/zinc/28/29/51/882282951.db2.gz GTHCCUJBSAMMRR-LBPRGKRZSA-N 1 0 324.333 1.020 20 5 DDBDRO COc1cc2ncnc(N3CC(C)([NH+](C)C)C3)c2cc1[N+](=O)[O-] ZINC001165118299 869384243 /nfs/dbraw/zinc/38/42/43/869384243.db2.gz RTTIFDSOSXTDRL-UHFFFAOYSA-N 1 0 317.349 1.687 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccccc1-n1cccc1 ZINC001226243686 882302415 /nfs/dbraw/zinc/30/24/15/882302415.db2.gz KZFJWECPUXBRFB-CQSZACIVSA-N 1 0 303.382 1.840 20 5 DDBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001165299954 869505651 /nfs/dbraw/zinc/50/56/51/869505651.db2.gz UNJNRRVUQJHKMY-NWDGAFQWSA-N 1 0 306.322 1.107 20 5 DDBDRO [NH3+][C@]12C[C@H]1CN(c1nc(C(F)(F)F)nc(Cl)c1[N+](=O)[O-])C2 ZINC001165317296 869515311 /nfs/dbraw/zinc/51/53/11/869515311.db2.gz ZCXDJAIFPCWQTD-IGJIYHIXSA-N 1 0 323.662 1.594 20 5 DDBDRO N=c1nc([C@@H]2CCC[NH2+]2)ccn1-c1cc(Cl)ncc1[N+](=O)[O-] ZINC001166700114 870166517 /nfs/dbraw/zinc/16/65/17/870166517.db2.gz HEIHJIGGPNWAQH-QMMMGPOBSA-N 1 0 320.740 1.733 20 5 DDBDRO Cc1cc([N+](=O)[O-])cnc1-n1ccc([C@H]2CCC[NH2+]2)nc1=N ZINC001166700320 870168939 /nfs/dbraw/zinc/16/89/39/870168939.db2.gz JUHOTGHSWIDCHL-LLVKDONJSA-N 1 0 300.322 1.388 20 5 DDBDRO C[C@@H](C(=O)N[C@H]1C[NH+]2CCC1CC2)c1cccc([N+](=O)[O-])c1 ZINC001339140825 870365002 /nfs/dbraw/zinc/36/50/02/870365002.db2.gz JNWPYWBKMZJOIZ-ABAIWWIYSA-N 1 0 303.362 1.909 20 5 DDBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001298876749 870762971 /nfs/dbraw/zinc/76/29/71/870762971.db2.gz ZPSQURFKPPTVOZ-QMMMGPOBSA-N 1 0 317.777 1.822 20 5 DDBDRO COC(=O)c1ccnc(N[C@@H]2CC[C@H]3C[N@H+](C)C[C@H]32)c1[N+](=O)[O-] ZINC001339998976 870829008 /nfs/dbraw/zinc/82/90/08/870829008.db2.gz LEMQLKCQLXUNRB-MVWJERBFSA-N 1 0 320.349 1.529 20 5 DDBDRO CCn1c([C@H](C)[N+](=O)[O-])nnc1N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC001340124498 870907310 /nfs/dbraw/zinc/90/73/10/870907310.db2.gz TXWUGSXWXVWOAL-NWDGAFQWSA-N 1 0 310.402 1.412 20 5 DDBDRO O=C(N[C@@H]1CC12CC[NH2+]CC2)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001340298954 871018771 /nfs/dbraw/zinc/01/87/71/871018771.db2.gz JGWBLNOEUSPESK-SOUVJXGZSA-N 1 0 315.373 1.957 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc3c[nH+]cn3c2)n1 ZINC001304165782 871199463 /nfs/dbraw/zinc/19/94/63/871199463.db2.gz KGROZUZPLHBJQR-UHFFFAOYSA-N 1 0 300.278 1.711 20 5 DDBDRO NC(=O)c1ccnc(N2CC[NH2+]C3(CCCCC3)C2)c1[N+](=O)[O-] ZINC001307214769 871410879 /nfs/dbraw/zinc/41/08/79/871410879.db2.gz SOURWFPXTQLTIF-UHFFFAOYSA-N 1 0 319.365 1.201 20 5 DDBDRO CC1(C)CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1[NH3+] ZINC001340978925 871450661 /nfs/dbraw/zinc/45/06/61/871450661.db2.gz USIPDGSPOUEGRB-GFCCVEGCSA-N 1 0 311.769 1.986 20 5 DDBDRO CC(C)[C@H](CO)[NH2+]Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001308174292 871478210 /nfs/dbraw/zinc/47/82/10/871478210.db2.gz WQLBRJWZOSXWOM-NSHDSACASA-N 1 0 306.322 1.751 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC001341090162 871497046 /nfs/dbraw/zinc/49/70/46/871497046.db2.gz NESFSRCQUXDPTE-ZDUSSCGKSA-N 1 0 306.366 1.470 20 5 DDBDRO Cn1ncc(CCC[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)n1 ZINC001308776403 871527121 /nfs/dbraw/zinc/52/71/21/871527121.db2.gz DTQSLKJBXWOATF-UHFFFAOYSA-N 1 0 316.321 1.587 20 5 DDBDRO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@H](CO)[C@@H](CCO)C2)cc1Cl ZINC001308983841 871544506 /nfs/dbraw/zinc/54/45/06/871544506.db2.gz UYLYCMNRPSDHLG-NWDGAFQWSA-N 1 0 314.769 1.671 20 5 DDBDRO CCOc1ccc(C(=O)N2CC[NH2+]C[C@H]2COC)cc1[N+](=O)[O-] ZINC001341624633 871741990 /nfs/dbraw/zinc/74/19/90/871741990.db2.gz XCDYMPGPVTUZRA-LBPRGKRZSA-N 1 0 323.349 1.054 20 5 DDBDRO O=C(CCc1cc(F)ccc1[N+](=O)[O-])N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC001341686243 871775726 /nfs/dbraw/zinc/77/57/26/871775726.db2.gz LDENDNNXYRLUIO-TZMCWYRMSA-N 1 0 321.352 1.877 20 5 DDBDRO O=C(CCc1cc(F)ccc1[N+](=O)[O-])N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC001341689289 871777366 /nfs/dbraw/zinc/77/73/66/871777366.db2.gz QKWSGMHHHUFYHO-SWLSCSKDSA-N 1 0 321.352 1.877 20 5 DDBDRO COc1ccc(CC(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1[N+](=O)[O-] ZINC001341905703 871891166 /nfs/dbraw/zinc/89/11/66/871891166.db2.gz CVBDYVJUXJLAGY-QWHCGFSZSA-N 1 0 319.361 1.214 20 5 DDBDRO [NH3+]C[C@H]1CN(Cc2ccc3ccc4cccnc4c3n2)C[C@H]1O ZINC001206481649 872368756 /nfs/dbraw/zinc/36/87/56/872368756.db2.gz WWLNBBAMJJAXJL-GOEBONIOSA-N 1 0 308.385 1.534 20 5 DDBDRO COc1c(O)ccc(CN2CCC[N@@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC001342829736 872404932 /nfs/dbraw/zinc/40/49/32/872404932.db2.gz LSUYWYYWQDIBSO-CYBMUJFWSA-N 1 0 321.377 1.979 20 5 DDBDRO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001342940846 872444569 /nfs/dbraw/zinc/44/45/69/872444569.db2.gz HBQHYRFJYWFRFQ-JSFFLRCESA-N 1 0 301.346 1.707 20 5 DDBDRO CC(C)Cn1c(C[N+](=O)[O-])nnc1N1CC[NH+](C2CCC2)CC1 ZINC001344465320 873013294 /nfs/dbraw/zinc/01/32/94/873013294.db2.gz AJCOYFSGUIXJBI-UHFFFAOYSA-N 1 0 322.413 1.385 20 5 DDBDRO CC1(C)C[NH2+]C[C@H]1NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC001345380271 873382793 /nfs/dbraw/zinc/38/27/93/873382793.db2.gz HGGNVLXNVPWDNT-CYBMUJFWSA-N 1 0 314.345 1.871 20 5 DDBDRO C[C@@H](NC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC001346570019 873808069 /nfs/dbraw/zinc/80/80/69/873808069.db2.gz OJAXHLUFKSHSPI-RTXFEEFZSA-N 1 0 304.350 1.517 20 5 DDBDRO C[N@@H+]1CCCC[C@@H]1CNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC001347503989 874163214 /nfs/dbraw/zinc/16/32/14/874163214.db2.gz PPNMNHXEMRCNDF-CYBMUJFWSA-N 1 0 307.350 1.574 20 5 DDBDRO Cn1c(C[N+](=O)[O-])nnc1N1CCC(C)([NH+]2CCCC2)CC1 ZINC001350597545 875778482 /nfs/dbraw/zinc/77/84/82/875778482.db2.gz DKZFFBDWNLYOPV-UHFFFAOYSA-N 1 0 308.386 1.047 20 5 DDBDRO C[C@@H]1CN(Cn2nccc2[N+](=O)[O-])CCN1c1cc[nH+]cc1 ZINC001353196433 877177528 /nfs/dbraw/zinc/17/75/28/877177528.db2.gz NMPBAHFORXYAIF-GFCCVEGCSA-N 1 0 302.338 1.355 20 5 DDBDRO C[NH2+]CCOCCNC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001353246042 877212280 /nfs/dbraw/zinc/21/22/80/877212280.db2.gz ISMRKJRUWFNHBA-NSHDSACASA-N 1 0 310.354 1.191 20 5 DDBDRO CCOC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1O[C@H]1CCC[NH2+]C1 ZINC001218280142 877442025 /nfs/dbraw/zinc/44/20/25/877442025.db2.gz XYTMYXPLEGMUMM-QMMMGPOBSA-N 1 0 311.294 1.003 20 5 DDBDRO CNC(=O)c1ccc(N[C@@H]2CC[C@H]3C[N@H+](C)C[C@H]32)c([N+](=O)[O-])c1 ZINC001354400843 877953696 /nfs/dbraw/zinc/95/36/96/877953696.db2.gz LZAATGFZRANWCD-YNEHKIRRSA-N 1 0 318.377 1.707 20 5 DDBDRO COC[C@]1(C(=O)NC[C@@H](C)c2ccccc2[N+](=O)[O-])CC[NH2+]C1 ZINC001355315469 878496136 /nfs/dbraw/zinc/49/61/36/878496136.db2.gz GJMQPNBQCIOIJC-WBMJQRKESA-N 1 0 321.377 1.441 20 5 DDBDRO COc1cc(C(=O)N[C@]23CCC[C@H]2C[NH2+]C3)cc([N+](=O)[O-])c1C ZINC001355732032 878693949 /nfs/dbraw/zinc/69/39/49/878693949.db2.gz ZJAFBCDPCWTSTD-LRDDRELGSA-N 1 0 319.361 1.784 20 5 DDBDRO COC(=O)c1cc(OC)c(O[C@H](C)C[N+](C)(C)C)c(OC)c1 ZINC001228211555 883393351 /nfs/dbraw/zinc/39/33/51/883393351.db2.gz XNORKLVTBUKERL-LLVKDONJSA-N 1 0 312.386 1.964 20 5 DDBDRO CSc1cc(F)cc(OC(=O)C[C@@H](O)C[N+](C)(C)C)c1 ZINC001234295640 887834646 /nfs/dbraw/zinc/83/46/46/887834646.db2.gz PDNLUJHUKVCMSI-LLVKDONJSA-N 1 0 302.391 1.910 20 5 DDBDRO CC(=O)n1ncc2cc(OC(=O)C[C@@H](O)C[N+](C)(C)C)ccc21 ZINC001234868546 888230017 /nfs/dbraw/zinc/23/00/17/888230017.db2.gz QMMKAYRDHJVAFL-CYBMUJFWSA-N 1 0 320.369 1.059 20 5 DDBDRO CC(C)(C)[NH+]1CCC(NC(=O)c2cnc(N)c([N+](=O)[O-])c2)CC1 ZINC001291787828 913576568 /nfs/dbraw/zinc/57/65/68/913576568.db2.gz CQAAICZMMUVRLS-UHFFFAOYSA-N 1 0 321.381 1.565 20 5 DDBDRO COC(=O)[C@H](CCCC[NH3+])N[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001246153888 892448253 /nfs/dbraw/zinc/44/82/53/892448253.db2.gz UWMGNGCIVXCVAW-WFASDCNBSA-N 1 0 323.393 1.786 20 5 DDBDRO COC(=O)[C@H](CCCC[NH3+])N[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001246153887 892448573 /nfs/dbraw/zinc/44/85/73/892448573.db2.gz UWMGNGCIVXCVAW-DOMZBBRYSA-N 1 0 323.393 1.786 20 5 DDBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@H]2CCC3(C[NH2+]C3)O2)n1 ZINC001247849869 893422181 /nfs/dbraw/zinc/42/21/81/893422181.db2.gz BCSJSHHMWGCKOG-SECBINFHSA-N 1 0 321.268 1.372 20 5 DDBDRO CC(C)N1C[C@H]([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1=O ZINC001254573786 896507996 /nfs/dbraw/zinc/50/79/96/896507996.db2.gz CFMHKXWEQYPOCB-UONOGXRCSA-N 1 0 303.362 1.661 20 5 DDBDRO CC1=CCN(CC[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001262558518 900244111 /nfs/dbraw/zinc/24/41/11/900244111.db2.gz HYZDYRFHXGCFKO-MRXNPFEDSA-N 1 0 305.378 1.870 20 5 DDBDRO C[C@@H](CNC(=O)NC[C@@H]1CCC[NH2+]C1)c1ccccc1[N+](=O)[O-] ZINC001262583696 900262399 /nfs/dbraw/zinc/26/23/99/900262399.db2.gz GTEULCNBQXGXEY-QWHCGFSZSA-N 1 0 320.393 1.997 20 5 DDBDRO O=C(NCc1cccc([N+](=O)[O-])c1)NC[C@@H]1CCCCC[NH2+]1 ZINC001262597676 900267877 /nfs/dbraw/zinc/26/78/77/900267877.db2.gz VPKPCKDASYTLBM-ZDUSSCGKSA-N 1 0 306.366 1.926 20 5 DDBDRO CC(C)[N@H+](CCO)CC1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC001262706584 900321260 /nfs/dbraw/zinc/32/12/60/900321260.db2.gz SSPNFSXACKJXPX-UHFFFAOYSA-N 1 0 322.409 1.909 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N[C@]12CCC[C@H]1C[NH2+]C2 ZINC001263267076 900554157 /nfs/dbraw/zinc/55/41/57/900554157.db2.gz MMHTZRSWLJDVRU-NHYWBVRUSA-N 1 0 305.334 1.232 20 5 DDBDRO Cc1c(C(=O)N[C@H]2CC[NH2+][C@@H](C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000278355218 214110151 /nfs/dbraw/zinc/11/01/51/214110151.db2.gz ZVGKJIXAWWBINS-WPRPVWTQSA-N 1 0 322.321 1.682 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000449660830 230628562 /nfs/dbraw/zinc/62/85/62/230628562.db2.gz HCKIANHIPXPEAQ-LLVKDONJSA-N 1 0 315.276 1.330 20 5 DDBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CC(=O)N(C)C1 ZINC000358083234 299071128 /nfs/dbraw/zinc/07/11/28/299071128.db2.gz KFWPYUCGLUJDII-ZYHUDNBSSA-N 1 0 320.349 1.132 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[C@H]2[NH+](C)C)c1 ZINC000614712638 361987212 /nfs/dbraw/zinc/98/72/12/361987212.db2.gz NEWQSGHPGLLHPY-TZMCWYRMSA-N 1 0 307.350 1.816 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000451487937 231110498 /nfs/dbraw/zinc/11/04/98/231110498.db2.gz HSKJCWGQRYZLFK-BPLDGKMQSA-N 1 0 319.361 1.304 20 5 DDBDRO CC[C@]1(O)CC[N@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000495218714 529441448 /nfs/dbraw/zinc/44/14/48/529441448.db2.gz GHSJYZBGIVUXMP-HNNXBMFYSA-N 1 0 310.350 1.829 20 5 DDBDRO Cc1ccc(S(=O)(=O)N2CC[C@@H]([NH3+])C[C@@H]2C)cc1[N+](=O)[O-] ZINC000156135799 290708339 /nfs/dbraw/zinc/70/83/39/290708339.db2.gz UIUKHILBNQABIW-WDEREUQCSA-N 1 0 313.379 1.404 20 5 DDBDRO C[NH2+]C1CCN([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000430951291 529956074 /nfs/dbraw/zinc/95/60/74/529956074.db2.gz LCRQDFRAAWJAKB-NSHDSACASA-N 1 0 306.366 1.606 20 5 DDBDRO C[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C[C@@H]1CCCC[C@H]1O ZINC000305806500 529984067 /nfs/dbraw/zinc/98/40/67/529984067.db2.gz KCGGJXJDSFVEFN-DZGCQCFKSA-N 1 0 321.377 1.677 20 5 DDBDRO C[NH2+]C[C@H]1CCCN1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000417224312 530002542 /nfs/dbraw/zinc/00/25/42/530002542.db2.gz HWNWXTIRWZSZAW-CQSZACIVSA-N 1 0 306.366 1.531 20 5 DDBDRO C[N@@H+]1CCC[C@@H](CCNC(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000458169030 530054497 /nfs/dbraw/zinc/05/44/97/530054497.db2.gz FBKNZZLLWRYHIR-ZDUSSCGKSA-N 1 0 321.377 1.822 20 5 DDBDRO CN1CC[NH2+]C[C@@H]1CNc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000563957732 303984196 /nfs/dbraw/zinc/98/41/96/303984196.db2.gz HZLPLEQUAVKWKT-GFCCVEGCSA-N 1 0 305.382 1.184 20 5 DDBDRO COC[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000181702027 199341084 /nfs/dbraw/zinc/34/10/84/199341084.db2.gz CDSIFFBCRVJEST-GJZGRUSLSA-N 1 0 320.349 1.130 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC[C@H]([NH3+])C(C)C)c1C ZINC000070447625 190894604 /nfs/dbraw/zinc/89/46/04/190894604.db2.gz IAGLTCZXGGFWJE-LBPRGKRZSA-N 1 0 315.395 1.473 20 5 DDBDRO NC(=O)C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000182019738 199375776 /nfs/dbraw/zinc/37/57/76/199375776.db2.gz RJBVNVWLJMKUMU-ZDUSSCGKSA-N 1 0 309.370 1.205 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000358474128 299164997 /nfs/dbraw/zinc/16/49/97/299164997.db2.gz UCULEDQHGCUWLU-CQSZACIVSA-N 1 0 308.338 1.091 20 5 DDBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C1 ZINC000155667436 186101236 /nfs/dbraw/zinc/10/12/36/186101236.db2.gz SMHJSAAFXPYIHT-NSHDSACASA-N 1 0 322.365 1.403 20 5 DDBDRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000155698523 186104598 /nfs/dbraw/zinc/10/45/98/186104598.db2.gz QIDCXTLBTPEKTI-OCCSQVGLSA-N 1 0 305.378 1.982 20 5 DDBDRO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000262843955 186311898 /nfs/dbraw/zinc/31/18/98/186311898.db2.gz YBCAWQWSRYSDHL-NWDGAFQWSA-N 1 0 306.366 1.606 20 5 DDBDRO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000262878747 186318111 /nfs/dbraw/zinc/31/81/11/186318111.db2.gz VTGJMIGOQKKTDW-NWDGAFQWSA-N 1 0 306.366 1.240 20 5 DDBDRO C[NH+](C)CC[C@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)C(C)(C)C ZINC000172266458 198068296 /nfs/dbraw/zinc/06/82/96/198068296.db2.gz KXGSRNOPFYTKGC-LBPRGKRZSA-N 1 0 311.386 1.274 20 5 DDBDRO C[C@@H](CNC(=O)COc1ccccc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000042503853 352340842 /nfs/dbraw/zinc/34/08/42/352340842.db2.gz XURVELSLTNLXMY-LBPRGKRZSA-N 1 0 307.350 1.574 20 5 DDBDRO O=C(COc1cccc([N+](=O)[O-])c1)NCC[NH+]1CCCCC1 ZINC000047140460 352482857 /nfs/dbraw/zinc/48/28/57/352482857.db2.gz CYPZBLHDQVRQTN-UHFFFAOYSA-N 1 0 307.350 1.576 20 5 DDBDRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000047268316 352488454 /nfs/dbraw/zinc/48/84/54/352488454.db2.gz JNTCTNCQJGDGEI-HUUCEWRRSA-N 1 0 303.362 1.432 20 5 DDBDRO O=C(NCC1([NH+]2CCCCC2)CCCCC1)[C@@H]1C[C@@H]1[N+](=O)[O-] ZINC000047295363 352489438 /nfs/dbraw/zinc/48/94/38/352489438.db2.gz BQBZVMXICACNEW-KGLIPLIRSA-N 1 0 309.410 1.957 20 5 DDBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000057159505 352802128 /nfs/dbraw/zinc/80/21/28/352802128.db2.gz FHZDBNUAPGHFAN-LBPRGKRZSA-N 1 0 307.350 1.574 20 5 DDBDRO CC[N@@H+]1CCC[C@H](CNC(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000058276454 352841373 /nfs/dbraw/zinc/84/13/73/352841373.db2.gz IFIPFSOOIMOGSN-CYBMUJFWSA-N 1 0 321.377 1.822 20 5 DDBDRO CC(C)C[NH+]1CCC(NC(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000067264702 353040122 /nfs/dbraw/zinc/04/01/22/353040122.db2.gz GNJCQHMYWDUCDX-UHFFFAOYSA-N 1 0 323.397 1.418 20 5 DDBDRO CC[NH+](CC)[C@H]1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174144756 198297410 /nfs/dbraw/zinc/29/74/10/198297410.db2.gz MZKIQIMIIYFXEK-LBPRGKRZSA-N 1 0 309.370 1.124 20 5 DDBDRO CCC[N@H+](CC)CCNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000174651295 198365424 /nfs/dbraw/zinc/36/54/24/198365424.db2.gz AKYRBIGCARJOHW-UHFFFAOYSA-N 1 0 309.366 1.822 20 5 DDBDRO O=C(CC[NH+]1CCC(CO)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000079989954 353585881 /nfs/dbraw/zinc/58/58/81/353585881.db2.gz UJKWXNCYQDXUEP-UHFFFAOYSA-N 1 0 307.350 1.628 20 5 DDBDRO COC(=O)CC[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(C)n2)[C@@H](C)C1 ZINC000089265368 353763298 /nfs/dbraw/zinc/76/32/98/353763298.db2.gz YSDDPTQTPYYISZ-NSHDSACASA-N 1 0 322.365 1.372 20 5 DDBDRO O=[N+]([O-])c1cc(F)c(N2CCC([NH2+]CCO)CC2)c(F)c1 ZINC000092689487 353868015 /nfs/dbraw/zinc/86/80/15/353868015.db2.gz MMKPSNBQGJMXEB-UHFFFAOYSA-N 1 0 301.293 1.424 20 5 DDBDRO CC(C)(C(=O)N[C@H]1CC[N@H+](CC2CC2)C1)n1cc([N+](=O)[O-])cn1 ZINC000108298395 353949422 /nfs/dbraw/zinc/94/94/22/353949422.db2.gz BDQWAIYUVUKWCM-LBPRGKRZSA-N 1 0 321.381 1.127 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NCC[NH2+]C1CC1 ZINC000123666204 354032995 /nfs/dbraw/zinc/03/29/95/354032995.db2.gz UXPASNKGZCNUGM-UHFFFAOYSA-N 1 0 313.379 1.242 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000125058584 354044233 /nfs/dbraw/zinc/04/42/33/354044233.db2.gz KJFZNEVUXOQYTB-WDEREUQCSA-N 1 0 313.379 1.451 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)c1 ZINC000141332026 354139644 /nfs/dbraw/zinc/13/96/44/354139644.db2.gz XGBODVFMKSORMP-LBPRGKRZSA-N 1 0 319.361 1.914 20 5 DDBDRO O=[N+]([O-])c1c(N2CCC[N@@H+]3CCC[C@@H]3C2)nc2sccn21 ZINC000142898104 354146887 /nfs/dbraw/zinc/14/68/87/354146887.db2.gz SYNGYWOYZZWHLP-SNVBAGLBSA-N 1 0 307.379 1.979 20 5 DDBDRO C[C@@]1(C[NH3+])CCN(C(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000493042061 234681288 /nfs/dbraw/zinc/68/12/88/234681288.db2.gz BCCSICBTCMRKCJ-UJAVWCLSSA-N 1 0 307.325 1.944 20 5 DDBDRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000275610341 354412495 /nfs/dbraw/zinc/41/24/95/354412495.db2.gz IIOOFQMOLNNSSQ-ZJUUUORDSA-N 1 0 321.333 1.366 20 5 DDBDRO C[N@H+](C[C@@H](O)C1CC1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000305708928 354470627 /nfs/dbraw/zinc/47/06/27/354470627.db2.gz FJOOCMTZJGLBQH-LSDHHAIUSA-N 1 0 319.361 1.403 20 5 DDBDRO C[C@@H](CC[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000320499818 354527548 /nfs/dbraw/zinc/52/75/48/354527548.db2.gz XVKQCOXWCMAKHV-BBRMVZONSA-N 1 0 318.377 1.936 20 5 DDBDRO CC[C@H]1CN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000317578326 354511872 /nfs/dbraw/zinc/51/18/72/354511872.db2.gz MUJALVROMHENII-NWDGAFQWSA-N 1 0 306.366 1.593 20 5 DDBDRO CC[C@@H]1CN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000317578331 354512068 /nfs/dbraw/zinc/51/20/68/354512068.db2.gz MUJALVROMHENII-VXGBXAGGSA-N 1 0 306.366 1.593 20 5 DDBDRO CNc1c(C(=O)N2CC[C@@H]([NH+](C)C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000319205896 354519937 /nfs/dbraw/zinc/51/99/37/354519937.db2.gz FOLLBEZDXTXJDJ-CMPLNLGQSA-N 1 0 306.366 1.801 20 5 DDBDRO CCO[C@@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000405814328 354679636 /nfs/dbraw/zinc/67/96/36/354679636.db2.gz VIMSESGOLGIYJS-ZWNOBZJWSA-N 1 0 308.338 1.422 20 5 DDBDRO Cc1sc(C(=O)N[C@H](CO)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000588870011 354945313 /nfs/dbraw/zinc/94/53/13/354945313.db2.gz SFGQNFGWLCZRCL-JTQLQIEISA-N 1 0 313.379 1.151 20 5 DDBDRO C[C@@H]1C[C@@H](Nc2cc(N)c([N+](=O)[O-])c(CO)c2)C[N@@H+]1C1CC1 ZINC000589584114 355002329 /nfs/dbraw/zinc/00/23/29/355002329.db2.gz GCANXYHTCVQIKG-BXKDBHETSA-N 1 0 306.366 1.706 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC000590010689 355040763 /nfs/dbraw/zinc/04/07/63/355040763.db2.gz OTTZBKPGGDFLLC-OCCSQVGLSA-N 1 0 318.377 1.478 20 5 DDBDRO Nc1cc(N2CC[C@@H](C[NH+]3CCCC3)C2)cc(CO)c1[N+](=O)[O-] ZINC000590136014 355053373 /nfs/dbraw/zinc/05/33/73/355053373.db2.gz VHEXUMOBPMFEBB-LBPRGKRZSA-N 1 0 320.393 1.591 20 5 DDBDRO COc1ccc(C(=O)N2CC[C@@H]([NH+](C)C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000590402709 355085713 /nfs/dbraw/zinc/08/57/13/355085713.db2.gz GRTUFXIXYJUADT-CMPLNLGQSA-N 1 0 307.350 1.768 20 5 DDBDRO C[N@@H+]1C[C@@H]2CCN(C(=O)COc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000590443376 355097884 /nfs/dbraw/zinc/09/78/84/355097884.db2.gz IMZHFRHEEDPNJG-SMDDNHRTSA-N 1 0 305.334 1.136 20 5 DDBDRO COc1c(C(=O)N2CC[C@@H]3C[N@H+](C)C[C@H]32)cccc1[N+](=O)[O-] ZINC000590447663 355099134 /nfs/dbraw/zinc/09/91/34/355099134.db2.gz ZRENJKZSRAHWEG-ZWNOBZJWSA-N 1 0 305.334 1.380 20 5 DDBDRO COCC1([NH2+]Cc2cc([N+](=O)[O-])ccc2OC)CCOCC1 ZINC000590601015 355127285 /nfs/dbraw/zinc/12/72/85/355127285.db2.gz NEJTXVPPFKMTIK-UHFFFAOYSA-N 1 0 310.350 1.889 20 5 DDBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]CCC1(CO)CC1)OCCO2 ZINC000590660988 355140171 /nfs/dbraw/zinc/14/01/71/355140171.db2.gz OVURTMHOYTYHOY-UHFFFAOYSA-N 1 0 308.334 1.618 20 5 DDBDRO O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000590900056 355208760 /nfs/dbraw/zinc/20/87/60/355208760.db2.gz UDTAYHFUMDEARS-WDEREUQCSA-N 1 0 314.345 1.758 20 5 DDBDRO O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000590900055 355208774 /nfs/dbraw/zinc/20/87/74/355208774.db2.gz UDTAYHFUMDEARS-QWRGUYRKSA-N 1 0 314.345 1.758 20 5 DDBDRO CN1C[C@@H]2CC[N@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000591037766 355236998 /nfs/dbraw/zinc/23/69/98/355236998.db2.gz ZMZDFWANZDYMPK-SWLSCSKDSA-N 1 0 318.377 1.559 20 5 DDBDRO O=[N+]([O-])c1cnc(N2CCN(c3cc[nH+]cc3)CC2)c(F)c1 ZINC000591136889 355253332 /nfs/dbraw/zinc/25/33/32/355253332.db2.gz DNWYGKRBOHGCNX-UHFFFAOYSA-N 1 0 303.297 1.851 20 5 DDBDRO [NH3+][C@H]1CCC[C@H](NC(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000591351673 355295918 /nfs/dbraw/zinc/29/59/18/355295918.db2.gz OMXPOIPBPCOEQN-RYUDHWBXSA-N 1 0 322.365 1.543 20 5 DDBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NCC[NH2+]C1CC1 ZINC000591359206 355299566 /nfs/dbraw/zinc/29/95/66/355299566.db2.gz VGCYUFZAGCMOJC-UHFFFAOYSA-N 1 0 306.366 1.531 20 5 DDBDRO CCOC(=O)c1ccnc(NC[C@H]2CCCC[NH2+]2)c1[N+](=O)[O-] ZINC000591429950 355309114 /nfs/dbraw/zinc/30/91/14/355309114.db2.gz KXGNLRMWKWCNTG-SNVBAGLBSA-N 1 0 308.338 1.721 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000591448718 355314465 /nfs/dbraw/zinc/31/44/65/355314465.db2.gz OUEKGDCHTJMEOP-IUODEOHRSA-N 1 0 318.377 1.526 20 5 DDBDRO Cc1c(NC(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000591291966 355280810 /nfs/dbraw/zinc/28/08/10/355280810.db2.gz VJBJZDAMKFVXNB-NSHDSACASA-N 1 0 320.349 1.100 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000591292152 355280991 /nfs/dbraw/zinc/28/09/91/355280991.db2.gz YOEQASWFXVHSMF-LLVKDONJSA-N 1 0 320.349 1.039 20 5 DDBDRO CCC[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccn1 ZINC000591734508 355374588 /nfs/dbraw/zinc/37/45/88/355374588.db2.gz IJWMIWFACWXQJW-KGLIPLIRSA-N 1 0 319.365 1.678 20 5 DDBDRO C[C@@]1(C[NH3+])CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000591684821 355361542 /nfs/dbraw/zinc/36/15/42/355361542.db2.gz HTPQSVTYRCNFFI-INIZCTEOSA-N 1 0 314.345 1.954 20 5 DDBDRO CNc1ccc(C(=O)N2CC[NH2+][C@@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000592246396 355546812 /nfs/dbraw/zinc/54/68/12/355546812.db2.gz MHHXYERSEDROFR-CYBMUJFWSA-N 1 0 306.366 1.707 20 5 DDBDRO CC(C)[NH2+]CCCNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000592296772 355553972 /nfs/dbraw/zinc/55/39/72/355553972.db2.gz MQKHKFMBKHDJBU-UHFFFAOYSA-N 1 0 323.349 1.484 20 5 DDBDRO C[NH2+]C[C@@H]1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000592468489 355591900 /nfs/dbraw/zinc/59/19/00/355591900.db2.gz APGGWVKARXLAFY-VIFPVBQESA-N 1 0 307.306 1.005 20 5 DDBDRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1Cc1ccc([N+](=O)[O-])cc1F ZINC000592523780 355611909 /nfs/dbraw/zinc/61/19/09/355611909.db2.gz PYXCBPQXLBYZNA-LLVKDONJSA-N 1 0 324.356 1.286 20 5 DDBDRO CC1(C)C[NH2+]CCN1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000592372614 355569741 /nfs/dbraw/zinc/56/97/41/355569741.db2.gz CRPGVITZPFFKEM-UHFFFAOYSA-N 1 0 313.379 1.108 20 5 DDBDRO CC(C)[C@H](O)CC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000592430845 355580941 /nfs/dbraw/zinc/58/09/41/355580941.db2.gz MAMRRXDODYXATD-CQSZACIVSA-N 1 0 309.366 1.920 20 5 DDBDRO O=C1CC[C@@H](C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)N1 ZINC000593014005 355770498 /nfs/dbraw/zinc/77/04/98/355770498.db2.gz ZSWIWOZRJQMFBF-LBPRGKRZSA-N 1 0 319.361 1.717 20 5 DDBDRO CC[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000593066441 355785409 /nfs/dbraw/zinc/78/54/09/355785409.db2.gz DFIKAPDUOUSECX-ZDUSSCGKSA-N 1 0 307.350 1.695 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3ccc(F)cc3[N+](=O)[O-])C[C@@H]21 ZINC000593168846 355815831 /nfs/dbraw/zinc/81/58/31/355815831.db2.gz YGVIKRHCJINUQZ-RISCZKNCSA-N 1 0 307.325 1.439 20 5 DDBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593392998 355871067 /nfs/dbraw/zinc/87/10/67/355871067.db2.gz XNIDTGJGLDMQFM-CYBMUJFWSA-N 1 0 309.341 1.877 20 5 DDBDRO [NH3+]CCC1CCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000593771851 355991559 /nfs/dbraw/zinc/99/15/59/355991559.db2.gz ZRLMAGJCUKAFJU-UHFFFAOYSA-N 1 0 320.349 1.121 20 5 DDBDRO CCOc1ccc(C(=O)NCCC2(C[NH3+])CC2)cc1[N+](=O)[O-] ZINC000593915368 356057895 /nfs/dbraw/zinc/05/78/95/356057895.db2.gz VTJKWXJDAMWRIX-UHFFFAOYSA-N 1 0 307.350 1.852 20 5 DDBDRO C[C@H](O)C[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000594055359 356101719 /nfs/dbraw/zinc/10/17/19/356101719.db2.gz KZDXKESHWMJTCX-FZMZJTMJSA-N 1 0 310.350 1.180 20 5 DDBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000594431288 356210121 /nfs/dbraw/zinc/21/01/21/356210121.db2.gz KYJQMRCWESOWKF-GOEBONIOSA-N 1 0 303.362 1.643 20 5 DDBDRO CCC(C)(C)[NH+]1CCN(C(=O)c2c([N+](=O)[O-])c(C)nn2C)CC1 ZINC000594389887 356194378 /nfs/dbraw/zinc/19/43/78/356194378.db2.gz POXIWLDCJYQRNQ-UHFFFAOYSA-N 1 0 323.397 1.583 20 5 DDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594419784 356204378 /nfs/dbraw/zinc/20/43/78/356204378.db2.gz RLEVQTSVLOLULK-CHWSQXEVSA-N 1 0 318.377 1.924 20 5 DDBDRO O=C([C@H]1C[C@@]12CCC[NH2+]C2)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000594427184 356208113 /nfs/dbraw/zinc/20/81/13/356208113.db2.gz GMMGANKSBCFFBR-CZUORRHYSA-N 1 0 301.346 1.874 20 5 DDBDRO [NH3+]C[C@@H](O)CCc1cn(-c2ccc(Cl)cc2[N+](=O)[O-])nn1 ZINC000594651802 356275648 /nfs/dbraw/zinc/27/56/48/356275648.db2.gz HSMPANNNXXDTRU-JTQLQIEISA-N 1 0 311.729 1.081 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC[C@@]1(O)CCOC1 ZINC000595048169 356376591 /nfs/dbraw/zinc/37/65/91/356376591.db2.gz VYDHPBPMIUOXEH-IAQYHMDHSA-N 1 0 310.350 1.796 20 5 DDBDRO C[C@@H](Cn1cncn1)[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000595049892 356376744 /nfs/dbraw/zinc/37/67/44/356376744.db2.gz KHRWJTLVGYFRQO-NSHDSACASA-N 1 0 314.349 1.888 20 5 DDBDRO Cc1ccc(NC(=O)C(=O)NCC[C@@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000595242574 356415036 /nfs/dbraw/zinc/41/50/36/356415036.db2.gz UZBPZINNGHSUCI-GFCCVEGCSA-N 1 0 322.365 1.331 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N(C)CC(C)(C)[NH3+] ZINC000595263695 356425297 /nfs/dbraw/zinc/42/52/97/356425297.db2.gz JRAHLJDFGGZZMP-UHFFFAOYSA-N 1 0 310.354 1.482 20 5 DDBDRO Cc1c(CNC(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000595274117 356428822 /nfs/dbraw/zinc/42/88/22/356428822.db2.gz OGSSHZZDVKPCRE-VXGBXAGGSA-N 1 0 310.329 1.484 20 5 DDBDRO C[NH2+]C[C@@H](C)NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000595275131 356428866 /nfs/dbraw/zinc/42/88/66/356428866.db2.gz HKDQBFGTNFQXOW-LLVKDONJSA-N 1 0 306.366 1.877 20 5 DDBDRO CC(C)[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC[NH2+]1 ZINC000595413841 356484220 /nfs/dbraw/zinc/48/42/20/356484220.db2.gz XMXUILWZWXBQMI-VIFPVBQESA-N 1 0 319.408 1.275 20 5 DDBDRO CC(=O)NC1CCC(N(C)Cc2onc(C)c2[N+](=O)[O-])CC1 ZINC000595422990 356486918 /nfs/dbraw/zinc/48/69/18/356486918.db2.gz CVUORYNURVLJFG-UHFFFAOYSA-N 1 0 310.354 1.770 20 5 DDBDRO COC[C@@H](C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)OC ZINC000595370249 356468329 /nfs/dbraw/zinc/46/83/29/356468329.db2.gz FYIHJIZBXWPYNJ-DGCLKSJQSA-N 1 0 310.354 1.137 20 5 DDBDRO COc1ccc(NC(=O)C[NH2+][C@@H](CO)C2CCC2)c([N+](=O)[O-])c1 ZINC000595618639 356579645 /nfs/dbraw/zinc/57/96/45/356579645.db2.gz YZQAQGKALZWKNU-ZDUSSCGKSA-N 1 0 323.349 1.293 20 5 DDBDRO CCC[C@@H]([NH3+])C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000236925406 202075710 /nfs/dbraw/zinc/07/57/10/202075710.db2.gz VQMCZWYFMGOJPN-CQSZACIVSA-N 1 0 306.366 1.371 20 5 DDBDRO C[NH+](C)CCCS(=O)(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000601349626 358510700 /nfs/dbraw/zinc/51/07/00/358510700.db2.gz HKKSZTFFSUQIRA-UHFFFAOYSA-N 1 0 313.379 1.239 20 5 DDBDRO O=[N+]([O-])c1ccc(OC2CCN(C[C@@H]3C[NH2+]CCO3)CC2)cc1 ZINC000595886664 356692424 /nfs/dbraw/zinc/69/24/24/356692424.db2.gz XXCBFFJEUDUMQH-INIZCTEOSA-N 1 0 321.377 1.426 20 5 DDBDRO CCOc1cc(C[N@@H+]2CCC[C@@H](C(=O)NC)C2)ccc1[N+](=O)[O-] ZINC000276929788 213183073 /nfs/dbraw/zinc/18/30/73/213183073.db2.gz QRGANFWWAHQVPT-CYBMUJFWSA-N 1 0 321.377 1.952 20 5 DDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCC12CC(C1)C[NH2+]2 ZINC000595980059 356733820 /nfs/dbraw/zinc/73/38/20/356733820.db2.gz CZWOUDYAARUWPH-UHFFFAOYSA-N 1 0 309.753 1.659 20 5 DDBDRO CCOC(=O)c1cc(C(=O)N[C@H](C)C[NH2+]C)cc([N+](=O)[O-])c1 ZINC000595983268 356735242 /nfs/dbraw/zinc/73/52/42/356735242.db2.gz LKBUXOHLYTXVQU-SECBINFHSA-N 1 0 309.322 1.109 20 5 DDBDRO C[NH2+]C[C@H](C)NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000595984461 356736198 /nfs/dbraw/zinc/73/61/98/356736198.db2.gz UDSZLMZRRDOQAF-JTQLQIEISA-N 1 0 303.322 1.118 20 5 DDBDRO O=c1[nH]ccc(N2CCN(c3cc[nH+]cc3)CC2)c1[N+](=O)[O-] ZINC000596063770 356758751 /nfs/dbraw/zinc/75/87/51/356758751.db2.gz SJMJGXQYJUWKNN-UHFFFAOYSA-N 1 0 301.306 1.417 20 5 DDBDRO CS[C@@H]1CN(c2cc[nH]c(=O)c2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000596197168 356810480 /nfs/dbraw/zinc/81/04/80/356810480.db2.gz VXUCXRORVLUSID-NWDGAFQWSA-N 1 0 324.406 1.711 20 5 DDBDRO CCn1c(C)nc([N+](=O)[O-])c1NCCN(C)CCC[NH+](C)C ZINC000596425907 356875030 /nfs/dbraw/zinc/87/50/30/356875030.db2.gz YKURABMFHGGRDB-UHFFFAOYSA-N 1 0 312.418 1.415 20 5 DDBDRO CN(CCC[NH+](C)C)CCN=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1 ZINC000596424717 356875302 /nfs/dbraw/zinc/87/53/02/356875302.db2.gz KPTIOZLEPSWBLF-UHFFFAOYSA-N 1 0 320.397 1.188 20 5 DDBDRO CC(C)(C)[N@@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000596334536 356860184 /nfs/dbraw/zinc/86/01/84/356860184.db2.gz BIOMOBGIIRDYHU-VIFPVBQESA-N 1 0 307.354 1.373 20 5 DDBDRO O=[N+]([O-])c1cnc(N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c(F)c1 ZINC000596541540 356911893 /nfs/dbraw/zinc/91/18/93/356911893.db2.gz ZAAYMVWAURILDP-GFCCVEGCSA-N 1 0 310.329 1.164 20 5 DDBDRO O=[N+]([O-])c1cnc(N2CCC([N@@H+]3CC[C@H](O)C3)CC2)c(F)c1 ZINC000596541541 356911972 /nfs/dbraw/zinc/91/19/72/356911972.db2.gz ZAAYMVWAURILDP-LBPRGKRZSA-N 1 0 310.329 1.164 20 5 DDBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000597700545 357291215 /nfs/dbraw/zinc/29/12/15/357291215.db2.gz NFRFUITUFPBINS-STQMWFEESA-N 1 0 321.377 1.915 20 5 DDBDRO C[NH+](C)CC1CN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000597708503 357295375 /nfs/dbraw/zinc/29/53/75/357295375.db2.gz NENXXZGMCCEOPK-UHFFFAOYSA-N 1 0 318.377 1.803 20 5 DDBDRO COc1cc(C(=O)N2CC(C[NH+](C)C)C2)cc([N+](=O)[O-])c1C ZINC000597708892 357296070 /nfs/dbraw/zinc/29/60/70/357296070.db2.gz QNNDSGUMMYYMEA-UHFFFAOYSA-N 1 0 307.350 1.545 20 5 DDBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000597854821 357359339 /nfs/dbraw/zinc/35/93/39/357359339.db2.gz MSPQBEOXKBEUHW-NSHDSACASA-N 1 0 309.370 1.028 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000597856849 357360502 /nfs/dbraw/zinc/36/05/02/357360502.db2.gz BGSWDXBDZTZFEG-LLVKDONJSA-N 1 0 306.366 1.901 20 5 DDBDRO COc1cc(C(=O)N(C)CC2C[NH+](C)C2)cc([N+](=O)[O-])c1C ZINC000598160280 357477949 /nfs/dbraw/zinc/47/79/49/357477949.db2.gz KPYNUGUTLWLOKJ-UHFFFAOYSA-N 1 0 307.350 1.545 20 5 DDBDRO O=C(NCC1CC[NH+](CC2CC2)CC1)c1cc([N+](=O)[O-])n[nH]1 ZINC000598543173 357627404 /nfs/dbraw/zinc/62/74/04/357627404.db2.gz RWOQWLXCFAYXSK-UHFFFAOYSA-N 1 0 307.354 1.170 20 5 DDBDRO [NH3+][C@]12CCC[C@@H]1CN(C(=O)c1cc3c(cc1[N+](=O)[O-])OCO3)C2 ZINC000598668963 357678262 /nfs/dbraw/zinc/67/82/62/357678262.db2.gz DQWIJHICBUYOTR-PSLIRLAXSA-N 1 0 319.317 1.277 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH2+][C@H](C(C)C)C1 ZINC000598576332 357638702 /nfs/dbraw/zinc/63/87/02/357638702.db2.gz RDWSVIXQTKUGDD-ZDUSSCGKSA-N 1 0 307.350 1.673 20 5 DDBDRO Cc1ccc(S(=O)(=O)NCC(C)(C)[NH3+])c(C)c1[N+](=O)[O-] ZINC000598717152 357702512 /nfs/dbraw/zinc/70/25/12/357702512.db2.gz ZVFYUQAYIVNDHQ-UHFFFAOYSA-N 1 0 301.368 1.227 20 5 DDBDRO O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000598914395 357756803 /nfs/dbraw/zinc/75/68/03/357756803.db2.gz CAXCRWWDHYONQN-TVQRCGJNSA-N 1 0 308.313 1.950 20 5 DDBDRO CC(C)[C@](C)(C[NH3+])NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598915416 357757703 /nfs/dbraw/zinc/75/77/03/357757703.db2.gz LQFGKNZRGDTSSU-AWEZNQCLSA-N 1 0 308.338 1.023 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H](O)[C@@H]1CCCO1 ZINC000599067272 357807006 /nfs/dbraw/zinc/80/70/06/357807006.db2.gz YRUNIZCAOYPHDX-BPNCWPANSA-N 1 0 310.350 1.794 20 5 DDBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2C[C@H](C(N)=O)C2)cc1[N+](=O)[O-] ZINC000599071459 357807630 /nfs/dbraw/zinc/80/76/30/357807630.db2.gz VPEJANURLUQSIL-DLOVCJGASA-N 1 0 307.350 1.908 20 5 DDBDRO CC[C@@H]1CN(c2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000599180801 357841545 /nfs/dbraw/zinc/84/15/45/357841545.db2.gz ZGGZUOXYZQRUKY-WDEREUQCSA-N 1 0 322.365 1.662 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000599602958 357989706 /nfs/dbraw/zinc/98/97/06/357989706.db2.gz BCERRQIHNJKOJF-ZJUUUORDSA-N 1 0 308.338 1.865 20 5 DDBDRO C[C@H]1CC(F)(F)CC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000599623365 357995824 /nfs/dbraw/zinc/99/58/24/357995824.db2.gz OXUUFODZMDMABX-ONGXEEELSA-N 1 0 304.297 1.272 20 5 DDBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)C[C@H]1C[C@@H](O)C1 ZINC000599673860 358019766 /nfs/dbraw/zinc/01/97/66/358019766.db2.gz UMVSMCHSTQPNLN-COPLHBTASA-N 1 0 307.350 1.625 20 5 DDBDRO CC(C)(NC(=O)NC[C@H]1COCC[NH2+]1)c1ccccc1[N+](=O)[O-] ZINC000599939743 358086308 /nfs/dbraw/zinc/08/63/08/358086308.db2.gz MABJIEMIUUGCFQ-NSHDSACASA-N 1 0 322.365 1.118 20 5 DDBDRO COc1cc(CN[C@H]2CC[NH2+]C23CCC3)c([N+](=O)[O-])cc1OC ZINC000600677880 358280288 /nfs/dbraw/zinc/28/02/88/358280288.db2.gz CIFQVXBRZYNXAP-HNNXBMFYSA-N 1 0 321.377 1.986 20 5 DDBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H]2COCCN2)cc1[N+](=O)[O-] ZINC000600710232 358290817 /nfs/dbraw/zinc/29/08/17/358290817.db2.gz MUAJAHXTJXTOAZ-AAEUAGOBSA-N 1 0 309.366 1.633 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[NH2+]C[C@H]1C(C)C ZINC000600716492 358292581 /nfs/dbraw/zinc/29/25/81/358292581.db2.gz YBENFKOMIPNIAO-HNNXBMFYSA-N 1 0 320.393 1.772 20 5 DDBDRO C[C@]12C[NH2+]C[C@@]1(C)CN(CCOc1ccc([N+](=O)[O-])cc1)C2 ZINC000600750964 358307377 /nfs/dbraw/zinc/30/73/77/358307377.db2.gz YRNCVGAWVDZNEW-IYBDPMFKSA-N 1 0 305.378 1.905 20 5 DDBDRO CC[NH2+][C@H](C)CNC(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1 ZINC000358912691 299278897 /nfs/dbraw/zinc/27/88/97/299278897.db2.gz FPLQEEVKHYRBIW-SECBINFHSA-N 1 0 311.338 1.340 20 5 DDBDRO C[NH+](C)CCn1cc(C(=O)NCc2cccc([N+](=O)[O-])c2)cn1 ZINC000601020457 358384860 /nfs/dbraw/zinc/38/48/60/358384860.db2.gz QIBKUGSGNASKNB-UHFFFAOYSA-N 1 0 317.349 1.283 20 5 DDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CCC[N@@H+]([C@H](C)CO)CC1 ZINC000358914485 299279563 /nfs/dbraw/zinc/27/95/63/299279563.db2.gz JIPASOZBPDUOSD-LLVKDONJSA-N 1 0 311.386 1.013 20 5 DDBDRO Cc1cc(S(=O)(=O)N(C)CC[NH+](C)C)c([N+](=O)[O-])s1 ZINC000601363608 358516873 /nfs/dbraw/zinc/51/68/73/358516873.db2.gz SQXMYXDCONMADJ-UHFFFAOYSA-N 1 0 307.397 1.147 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC([NH+]3CCCC3)C2)c1 ZINC000601193813 358441432 /nfs/dbraw/zinc/44/14/32/358441432.db2.gz QUDPAMYJHBZNOO-UHFFFAOYSA-N 1 0 305.334 1.666 20 5 DDBDRO CCc1n[nH]c(C(=O)N2CCC(CC)([NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000601791877 358697265 /nfs/dbraw/zinc/69/72/65/358697265.db2.gz OYCZWKBUIMMUOR-UHFFFAOYSA-N 1 0 323.397 1.827 20 5 DDBDRO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)CCc1cccc([N+](=O)[O-])c1)C2 ZINC000601978115 358763609 /nfs/dbraw/zinc/76/36/09/358763609.db2.gz XMJAFUDMVREGCC-CALCHBBNSA-N 1 0 317.389 1.985 20 5 DDBDRO COc1cc(CN2C[C@@H](C[NH3+])[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000602019557 358779275 /nfs/dbraw/zinc/77/92/75/358779275.db2.gz GOOLWLCOIGBJPK-ZYHUDNBSSA-N 1 0 309.366 1.639 20 5 DDBDRO CO[C@H]1C[NH2+][C@](C)(C(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000602457949 358991416 /nfs/dbraw/zinc/99/14/16/358991416.db2.gz JXOZLNDWKIJGSN-DOMZBBRYSA-N 1 0 307.350 1.021 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@H]3CCCO3)CC2)cn1 ZINC000602499657 359015466 /nfs/dbraw/zinc/01/54/66/359015466.db2.gz RTDKJKGTIRNMRL-CQSZACIVSA-N 1 0 306.366 1.727 20 5 DDBDRO C[C@@H]1COCC[C@@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602635492 359089606 /nfs/dbraw/zinc/08/96/06/359089606.db2.gz ZCRQKNPELFSXKS-DOMZBBRYSA-N 1 0 320.393 1.973 20 5 DDBDRO C[C@@H](CN(C)C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602652021 359101640 /nfs/dbraw/zinc/10/16/40/359101640.db2.gz CPAGZUREWZRRKR-LBPRGKRZSA-N 1 0 307.398 1.498 20 5 DDBDRO O=[N+]([O-])c1cccnc1N1CC[NH+](CCC[C@H]2CCO2)CC1 ZINC000602689662 359127560 /nfs/dbraw/zinc/12/75/60/359127560.db2.gz WWSBLHKVJZBROL-ZDUSSCGKSA-N 1 0 306.366 1.681 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000602840647 359230245 /nfs/dbraw/zinc/23/02/45/359230245.db2.gz OUWDMTLVKNLHCK-LSDHHAIUSA-N 1 0 322.409 1.973 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@@H](C(C)(C)C)[C@H](O)C1 ZINC000602801071 359202019 /nfs/dbraw/zinc/20/20/19/359202019.db2.gz LFFDODLLVLXTAS-CHWSQXEVSA-N 1 0 310.398 1.829 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC([C@@H]2CCCO2)CC1 ZINC000602814865 359210465 /nfs/dbraw/zinc/21/04/65/359210465.db2.gz FWDRYBIJTZSWMT-AWEZNQCLSA-N 1 0 308.382 1.991 20 5 DDBDRO Cc1cncc([N+](=O)[O-])c1NC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000602951868 359317459 /nfs/dbraw/zinc/31/74/59/359317459.db2.gz KFVMVHBYMRRQCG-LLVKDONJSA-N 1 0 307.354 1.136 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000603089708 359395931 /nfs/dbraw/zinc/39/59/31/359395931.db2.gz SRIRMYCVPHLTPX-IAQYHMDHSA-N 1 0 305.334 1.298 20 5 DDBDRO Cc1c(NC(=O)CC[N@@H+]2C[C@@H]3C[C@]3(O)C2)cccc1[N+](=O)[O-] ZINC000603092735 359397614 /nfs/dbraw/zinc/39/76/14/359397614.db2.gz YYXJFDPNFUAGRE-NHYWBVRUSA-N 1 0 305.334 1.298 20 5 DDBDRO [NH3+]CCN1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000262965480 283436378 /nfs/dbraw/zinc/43/63/78/283436378.db2.gz LGKSSCSRHPGAOW-UHFFFAOYSA-N 1 0 318.299 1.694 20 5 DDBDRO [NH3+]CCSCc1cn(Cc2c(F)cccc2[N+](=O)[O-])nn1 ZINC000603203353 359477600 /nfs/dbraw/zinc/47/76/00/359477600.db2.gz OLGQHUBCEHIWOP-UHFFFAOYSA-N 1 0 311.342 1.566 20 5 DDBDRO [NH3+]CCCCc1cn(Cc2c(F)cc([N+](=O)[O-])cc2F)nn1 ZINC000603247023 359512814 /nfs/dbraw/zinc/51/28/14/359512814.db2.gz HWCOFPXXSTYNEP-UHFFFAOYSA-N 1 0 311.292 1.794 20 5 DDBDRO O=[N+]([O-])c1cc(CN2C[C@H]3C[NH2+]C[C@@H]3C2)c2c(c1)COCO2 ZINC000603833433 359685131 /nfs/dbraw/zinc/68/51/31/359685131.db2.gz MYYLIFIYDCPWAK-CHWSQXEVSA-N 1 0 305.334 1.113 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])c(=O)n(CCC[NH+]2CCCCC2)c1 ZINC000187680149 200144072 /nfs/dbraw/zinc/14/40/72/200144072.db2.gz HZRXGPSORMUROD-UHFFFAOYSA-N 1 0 323.349 1.419 20 5 DDBDRO CCO[C@@H]1CCC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000604436833 359750611 /nfs/dbraw/zinc/75/06/11/359750611.db2.gz ASQVPBYQBVPZDN-GOEBONIOSA-N 1 0 324.377 1.835 20 5 DDBDRO C[C@H](C[NH3+])N(C)C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000237647280 202316687 /nfs/dbraw/zinc/31/66/87/202316687.db2.gz DJBGHUQELCLVEI-SNVBAGLBSA-N 1 0 303.322 1.200 20 5 DDBDRO CCC[NH+]1CCC(N(C)C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000188253871 200217462 /nfs/dbraw/zinc/21/74/62/200217462.db2.gz RLUICLDROJWWBR-UHFFFAOYSA-N 1 0 322.365 1.642 20 5 DDBDRO C[C@]1(C(=O)NCCNc2ccccc2[N+](=O)[O-])CCC[NH2+]C1 ZINC000237758073 202348217 /nfs/dbraw/zinc/34/82/17/202348217.db2.gz DSYDPYSHXDJXOS-HNNXBMFYSA-N 1 0 306.366 1.513 20 5 DDBDRO [NH3+]C[C@@H]1CCCCN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000237848319 202369326 /nfs/dbraw/zinc/36/93/26/202369326.db2.gz BTVIADQPPLBWSP-JTQLQIEISA-N 1 0 303.322 1.425 20 5 DDBDRO [NH3+][C@@H](CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)C1CC1 ZINC000238051577 202429038 /nfs/dbraw/zinc/42/90/38/202429038.db2.gz UCAYRCCBHMYXKY-ZDUSSCGKSA-N 1 0 315.333 1.248 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CC[NH+](C[C@H](C)O)CC1 ZINC000189329379 200382801 /nfs/dbraw/zinc/38/28/01/200382801.db2.gz JGMAMIROTLVRHW-ZDUSSCGKSA-N 1 0 323.393 1.492 20 5 DDBDRO CC(C)[C@@](C)(O)C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000609571598 360326123 /nfs/dbraw/zinc/32/61/23/360326123.db2.gz VFYSLXLHLZXOPT-HNNXBMFYSA-N 1 0 310.350 1.863 20 5 DDBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000609878267 360360037 /nfs/dbraw/zinc/36/00/37/360360037.db2.gz UUEUBAKPXNSHEG-GFCCVEGCSA-N 1 0 306.366 1.902 20 5 DDBDRO NC(=O)c1ccc(C[NH+]2CCC3(CCOC3)CC2)c([N+](=O)[O-])c1 ZINC000611177698 360650776 /nfs/dbraw/zinc/65/07/76/360650776.db2.gz JQVSOUTVVMAPNM-UHFFFAOYSA-N 1 0 319.361 1.696 20 5 DDBDRO CC[N@@H+]1CCN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000611092123 360621489 /nfs/dbraw/zinc/62/14/89/360621489.db2.gz JFIFQSJQYSRZOS-QWHCGFSZSA-N 1 0 320.393 1.948 20 5 DDBDRO C[NH+](C)[C@H]1CCCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611267997 360684019 /nfs/dbraw/zinc/68/40/19/360684019.db2.gz DWPKHFIIUNOGSM-ZDUSSCGKSA-N 1 0 321.377 1.892 20 5 DDBDRO O=[N+]([O-])c1cc2c(cc1CN1C[C@H]3C[NH2+]C[C@@H]3C1)OCCO2 ZINC000611287846 360690205 /nfs/dbraw/zinc/69/02/05/360690205.db2.gz WRCRAOICROCEIV-VXGBXAGGSA-N 1 0 305.334 1.017 20 5 DDBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000611211031 360661209 /nfs/dbraw/zinc/66/12/09/360661209.db2.gz HDJFWTHBGXEURE-NSHDSACASA-N 1 0 307.354 1.122 20 5 DDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000611528069 360749307 /nfs/dbraw/zinc/74/93/07/360749307.db2.gz BPJFSVPSCRHTDX-LLVKDONJSA-N 1 0 304.350 1.391 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CC[C@@H](C(F)F)C1 ZINC000612110343 360923023 /nfs/dbraw/zinc/92/30/23/360923023.db2.gz DLVXILPDBGJFGS-GHMZBOCLSA-N 1 0 316.304 1.922 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CC(CC(F)(F)F)C2)c1 ZINC000612681129 361108344 /nfs/dbraw/zinc/10/83/44/361108344.db2.gz YRFLLROCXJZZTE-SNVBAGLBSA-N 1 0 308.260 1.036 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])c(NC[C@H](O)C[NH+]2CCCCC2)n1 ZINC000359079523 299322156 /nfs/dbraw/zinc/32/21/56/299322156.db2.gz BQGVWPFKVQKWQF-ZDUSSCGKSA-N 1 0 308.382 1.865 20 5 DDBDRO CCC(CC)[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000006349875 181333119 /nfs/dbraw/zinc/33/31/19/181333119.db2.gz KCULVUWMPUNHLC-UHFFFAOYSA-N 1 0 315.395 1.651 20 5 DDBDRO Cc1cnc(N[C@@H](C)CCN2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000613704767 361526265 /nfs/dbraw/zinc/52/62/65/361526265.db2.gz QVCFDZNISCOOPR-ZDUSSCGKSA-N 1 0 307.398 1.736 20 5 DDBDRO Cc1nn(C)c(C(=O)NC2CC[NH+](C(C)C)CC2)c1[N+](=O)[O-] ZINC000194078900 201174498 /nfs/dbraw/zinc/17/44/98/201174498.db2.gz WGIJSIFBSPCTLZ-UHFFFAOYSA-N 1 0 309.370 1.239 20 5 DDBDRO CCc1ccc(C(=O)N2CCC3(C[NH+](C)C3)C2)cc1[N+](=O)[O-] ZINC000618921308 363801497 /nfs/dbraw/zinc/80/14/97/363801497.db2.gz ZJCNTBJEPLPZPB-UHFFFAOYSA-N 1 0 303.362 1.935 20 5 DDBDRO O=C(NC[C@H]1CCC[NH2+]C1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000269125776 283996859 /nfs/dbraw/zinc/99/68/59/283996859.db2.gz DBCHXCCPCFATKC-JTQLQIEISA-N 1 0 321.333 1.095 20 5 DDBDRO COCCN(CC[NH+](C)C)C(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000566273042 304136609 /nfs/dbraw/zinc/13/66/09/304136609.db2.gz SNWQCHQPBHGBDW-UHFFFAOYSA-N 1 0 309.366 1.553 20 5 DDBDRO C[NH+](C)C[C@@H]1CCN(C(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000275178952 212176152 /nfs/dbraw/zinc/17/61/52/212176152.db2.gz DDILOJJEELCDBW-ZDUSSCGKSA-N 1 0 320.393 1.730 20 5 DDBDRO C[C@H]1CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000261676118 203092595 /nfs/dbraw/zinc/09/25/95/203092595.db2.gz CYVRCMXUPTZOFI-QWHCGFSZSA-N 1 0 321.377 1.950 20 5 DDBDRO Cc1c(C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)cccc1[N+](=O)[O-] ZINC000261899987 203146691 /nfs/dbraw/zinc/14/66/91/203146691.db2.gz OSTOCKIYSFLFHE-ZDUSSCGKSA-N 1 0 318.377 1.023 20 5 DDBDRO Nc1c(C(=O)N2CCC3(CC[NH2+]C3)CC2)cccc1[N+](=O)[O-] ZINC000261924271 203154516 /nfs/dbraw/zinc/15/45/16/203154516.db2.gz ZFAZYPPOSQXFSL-UHFFFAOYSA-N 1 0 304.350 1.393 20 5 DDBDRO Cc1ccc([C@@H](C)NC(=O)C[C@@H]2COCC[NH2+]2)cc1[N+](=O)[O-] ZINC000262352943 203271084 /nfs/dbraw/zinc/27/10/84/203271084.db2.gz JJKOLWLZYRRGAM-DGCLKSJQSA-N 1 0 307.350 1.459 20 5 DDBDRO O=C(NCC[C@H]1CC[NH2+]C1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000262586337 203341103 /nfs/dbraw/zinc/34/11/03/203341103.db2.gz OVJPQSFMSTWRBW-LLVKDONJSA-N 1 0 318.377 1.899 20 5 DDBDRO C[NH2+]CCC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000262611655 203349682 /nfs/dbraw/zinc/34/96/82/203349682.db2.gz YSIDPKICCUCFJR-UHFFFAOYSA-N 1 0 307.350 1.574 20 5 DDBDRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000262732912 203394750 /nfs/dbraw/zinc/39/47/50/203394750.db2.gz DRQASLYYPDXUGT-BXUZGUMPSA-N 1 0 307.350 1.702 20 5 DDBDRO Cc1[nH]nc(C(=O)Nc2ccc(CC[NH+](C)C)cc2)c1[N+](=O)[O-] ZINC000263962243 203655915 /nfs/dbraw/zinc/65/59/15/203655915.db2.gz QBBIFSQKQVWEMJ-UHFFFAOYSA-N 1 0 317.349 1.983 20 5 DDBDRO C[NH+](C)C1(CNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CCCC1 ZINC000274899315 212020478 /nfs/dbraw/zinc/02/04/78/212020478.db2.gz PAPSPJONEJSFGR-UHFFFAOYSA-N 1 0 308.338 1.300 20 5 DDBDRO CN(CCc1cccc([N+](=O)[O-])c1)C[C@@H]1CCS(=O)(=O)C1 ZINC000282557542 217086871 /nfs/dbraw/zinc/08/68/71/217086871.db2.gz XWOLDAFXJICKFO-ZDUSSCGKSA-N 1 0 312.391 1.504 20 5 DDBDRO C[N@@H+]1C[C@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)[C@@H](c2ccccc2)C1 ZINC000351486021 284336396 /nfs/dbraw/zinc/33/63/96/284336396.db2.gz LTSBOBKVIUSAIH-HIFRSBDPSA-N 1 0 314.345 1.751 20 5 DDBDRO Cc1ccccc1C[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266436983 205344444 /nfs/dbraw/zinc/34/44/44/205344444.db2.gz LVXSNFQHHQQYSF-OAHLLOKOSA-N 1 0 304.350 1.593 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000267538963 206132229 /nfs/dbraw/zinc/13/22/29/206132229.db2.gz UNZGZPJNSNQXTF-GFCCVEGCSA-N 1 0 309.370 1.042 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N(C)CC[NH+](C)C ZINC000298734646 248819483 /nfs/dbraw/zinc/81/94/83/248819483.db2.gz VNIYSSIDMAILPU-UHFFFAOYSA-N 1 0 322.365 1.170 20 5 DDBDRO Cn1c(C(=O)N2CC[NH2+]C[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000313365021 248840405 /nfs/dbraw/zinc/84/04/05/248840405.db2.gz VHQBTKSCJXIZPO-AWEZNQCLSA-N 1 0 314.345 1.720 20 5 DDBDRO CC1(C)[C@H](O)C[C@@H]1[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000567352649 304214078 /nfs/dbraw/zinc/21/40/78/304214078.db2.gz JLAWXJDILVNDMY-DDTOSNHZSA-N 1 0 310.350 1.084 20 5 DDBDRO Cc1ccc(CN2CCO[C@@H]3CC[N@@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000284719171 218148853 /nfs/dbraw/zinc/14/88/53/218148853.db2.gz UTHHUGJRDMOMSA-HZPDHXFCSA-N 1 0 305.378 1.808 20 5 DDBDRO Cc1c(CN2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000105824060 194137694 /nfs/dbraw/zinc/13/76/94/194137694.db2.gz HAKDHCBKAAFMLC-CHWSQXEVSA-N 1 0 307.394 1.790 20 5 DDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N[C@@H](CO)C[NH+]1CCCCC1 ZINC000288586685 220263117 /nfs/dbraw/zinc/26/31/17/220263117.db2.gz SAUZCLRRRAIMAF-CQSZACIVSA-N 1 0 321.377 1.100 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000110797710 194359039 /nfs/dbraw/zinc/35/90/39/194359039.db2.gz OTMCYOSYZPTCMR-NSHDSACASA-N 1 0 313.379 1.181 20 5 DDBDRO O=C(CNc1ccccc1[N+](=O)[O-])N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000340967282 251308166 /nfs/dbraw/zinc/30/81/66/251308166.db2.gz APIIOZLTLMXDTA-NSHDSACASA-N 1 0 304.350 1.360 20 5 DDBDRO CO[C@@H]1C[C@H]([N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)C12CCC2 ZINC000451864618 532954007 /nfs/dbraw/zinc/95/40/07/532954007.db2.gz ZXEVRKUAACTEAM-UONOGXRCSA-N 1 0 321.377 1.646 20 5 DDBDRO CO[C@@H]1[C@@H](C)[C@H]([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)C1(C)C ZINC000295833054 532978658 /nfs/dbraw/zinc/97/86/58/532978658.db2.gz CSJPTCWKYDKNJH-LEWSCRJBSA-N 1 0 309.366 1.406 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)[C@H]2C1 ZINC000352590973 285161551 /nfs/dbraw/zinc/16/15/51/285161551.db2.gz PPLSADPEGVGDJS-YGRLFVJLSA-N 1 0 307.325 1.900 20 5 DDBDRO O=C(Nc1ccncc1[N+](=O)[O-])N1CCC([NH+]2CC=CC2)CC1 ZINC000156919508 197150349 /nfs/dbraw/zinc/15/03/49/197150349.db2.gz FUPVYSWCKRHUFS-UHFFFAOYSA-N 1 0 317.349 1.858 20 5 DDBDRO C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000155319552 197043814 /nfs/dbraw/zinc/04/38/14/197043814.db2.gz DKHJMEZFAGKRKW-BETUJISGSA-N 1 0 320.393 1.948 20 5 DDBDRO [NH3+]Cc1nnnn1Cc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000568084560 304267366 /nfs/dbraw/zinc/26/73/66/304267366.db2.gz PGZJELBVAXYJLL-UHFFFAOYSA-N 1 0 302.216 1.107 20 5 DDBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)CCn3cc([N+](=O)[O-])cn3)CC[C@@H]21 ZINC000154904284 197003938 /nfs/dbraw/zinc/00/39/38/197003938.db2.gz VYMZUZPTLAMBIX-JSGCOSHPSA-N 1 0 321.381 1.124 20 5 DDBDRO Cn1cnc(CC[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000414130158 224302722 /nfs/dbraw/zinc/30/27/22/224302722.db2.gz WOOVTDOBDSNDOQ-UONOGXRCSA-N 1 0 318.381 1.841 20 5 DDBDRO C[C@H]1[NH2+]CCC[C@H]1C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000289828102 221252165 /nfs/dbraw/zinc/25/21/65/221252165.db2.gz JQZXUXHRWGADPC-PSASIEDQSA-N 1 0 303.322 1.798 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000414662112 533226347 /nfs/dbraw/zinc/22/63/47/533226347.db2.gz YNPNYLXYIGOTTJ-ONGXEEELSA-N 1 0 308.338 1.804 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000414656461 533227186 /nfs/dbraw/zinc/22/71/86/533227186.db2.gz MXTWLUDYEMBJOU-VHSXEESVSA-N 1 0 308.338 1.852 20 5 DDBDRO CCS(=O)(=O)CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000414548024 224350795 /nfs/dbraw/zinc/35/07/95/224350795.db2.gz WUFCFMUKXKJRKZ-UHFFFAOYSA-N 1 0 304.343 1.648 20 5 DDBDRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000415457256 224601576 /nfs/dbraw/zinc/60/15/76/224601576.db2.gz XIUMATPSSOHHQM-WDEREUQCSA-N 1 0 320.349 1.119 20 5 DDBDRO C[N@H+](CCCNC(=O)Cn1ccc([N+](=O)[O-])n1)C1CCCCC1 ZINC000121742748 195338161 /nfs/dbraw/zinc/33/81/61/195338161.db2.gz HGOMBYAORYGIPR-UHFFFAOYSA-N 1 0 323.397 1.562 20 5 DDBDRO C[C@@H](N[C@@H]1CCCC[C@H]1[NH3+])C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000424277301 533517806 /nfs/dbraw/zinc/51/78/06/533517806.db2.gz AAXFRCBKILDMJN-LERXQTSPSA-N 1 0 306.366 1.781 20 5 DDBDRO C[C@@H](CC[NH+](C)C)NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000443787530 533572241 /nfs/dbraw/zinc/57/22/41/533572241.db2.gz XSUNFPOBYWFDNQ-NSHDSACASA-N 1 0 315.395 1.354 20 5 DDBDRO COc1ccc(CNC(=O)NCC2=CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000417196359 533609794 /nfs/dbraw/zinc/60/97/94/533609794.db2.gz PAJYDHWRZKVFCD-UHFFFAOYSA-N 1 0 320.349 1.322 20 5 DDBDRO COC(=O)CC1([NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000568888891 304320167 /nfs/dbraw/zinc/32/01/67/304320167.db2.gz HRGJAYWTJHZNIJ-UHFFFAOYSA-N 1 0 321.333 1.609 20 5 DDBDRO COC(C)(C)CC[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000569778403 304377904 /nfs/dbraw/zinc/37/79/04/304377904.db2.gz SSLHRJDWPMJUJP-UHFFFAOYSA-N 1 0 308.382 1.927 20 5 DDBDRO COc1cc(C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)ccc1[N+](=O)[O-] ZINC000261646965 407566424 /nfs/dbraw/zinc/56/64/24/407566424.db2.gz FLQUDRKRDDTFRQ-RWMBFGLXSA-N 1 0 319.361 1.803 20 5 DDBDRO CC(C)[C@@H](CO)C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000570396565 304409619 /nfs/dbraw/zinc/40/96/19/304409619.db2.gz LRRQZCVGGGDPEL-OLZOCXBDSA-N 1 0 312.366 1.189 20 5 DDBDRO C[NH2+]C[C@@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000071144327 406833366 /nfs/dbraw/zinc/83/33/66/406833366.db2.gz AZPASFXFYSRPMU-NSHDSACASA-N 1 0 313.379 1.133 20 5 DDBDRO COC(=O)CCC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000072664937 406884082 /nfs/dbraw/zinc/88/40/82/406884082.db2.gz POUOZFKHKUONEC-LLVKDONJSA-N 1 0 308.338 1.429 20 5 DDBDRO Cc1ccc(S(=O)(=O)NC[C@H]2CCCC[NH2+]2)cc1[N+](=O)[O-] ZINC000044492927 407024049 /nfs/dbraw/zinc/02/40/49/407024049.db2.gz WVSCSGWHPNNWHP-LLVKDONJSA-N 1 0 313.379 1.324 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000044502497 407025433 /nfs/dbraw/zinc/02/54/33/407025433.db2.gz JORJVQSRLKBVIP-LLVKDONJSA-N 1 0 313.379 1.181 20 5 DDBDRO Cn1nc2c(cc1=O)C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)CC2 ZINC000078622690 407036645 /nfs/dbraw/zinc/03/66/45/407036645.db2.gz XXDYVOIBKKEDOD-UHFFFAOYSA-N 1 0 314.345 1.289 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000048773556 407106850 /nfs/dbraw/zinc/10/68/50/407106850.db2.gz BJMKFOJAFZSQHQ-UHFFFAOYSA-N 1 0 320.349 1.052 20 5 DDBDRO COC(=O)C1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000079813591 407062549 /nfs/dbraw/zinc/06/25/49/407062549.db2.gz HRLCDCYAQGULEQ-UHFFFAOYSA-N 1 0 308.334 1.859 20 5 DDBDRO Cc1c(C[NH+]2CCC(N3CCNC3=O)CC2)cccc1[N+](=O)[O-] ZINC000052217501 407148949 /nfs/dbraw/zinc/14/89/49/407148949.db2.gz DFMDFIMWNNQAHS-UHFFFAOYSA-N 1 0 318.377 1.893 20 5 DDBDRO C[C@@H]([NH2+]C[C@@H](O)COC1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000180407008 306694923 /nfs/dbraw/zinc/69/49/23/306694923.db2.gz WNUGVRXXYDAIKT-IUODEOHRSA-N 1 0 324.377 1.802 20 5 DDBDRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000055389449 407202206 /nfs/dbraw/zinc/20/22/06/407202206.db2.gz WMMAKOZLIJRFSL-STQMWFEESA-N 1 0 323.397 1.276 20 5 DDBDRO O=C(COc1cccc([N+](=O)[O-])c1)N1CCC[N@@H+](C2CC2)CC1 ZINC000061604584 407228846 /nfs/dbraw/zinc/22/88/46/407228846.db2.gz JSEDJZATEXNZCO-UHFFFAOYSA-N 1 0 319.361 1.670 20 5 DDBDRO COc1ccc(OCC[N@@H+]2CCC[C@](C)(O)C2)c([N+](=O)[O-])c1 ZINC000124569575 407362391 /nfs/dbraw/zinc/36/23/91/407362391.db2.gz SGFUAXNSFBZDOJ-HNNXBMFYSA-N 1 0 310.350 1.829 20 5 DDBDRO CC[NH+]1CCN([C@@H]2CCN(Cc3csc([N+](=O)[O-])c3)C2)CC1 ZINC000107372363 407373965 /nfs/dbraw/zinc/37/39/65/407373965.db2.gz ATFXWJPTVAJSEM-CQSZACIVSA-N 1 0 324.450 1.868 20 5 DDBDRO Cc1nn(C)c(C(=O)N[C@@H](C)C[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000125958020 407401745 /nfs/dbraw/zinc/40/17/45/407401745.db2.gz FLGOHYZDCUECCY-JTQLQIEISA-N 1 0 309.370 1.241 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000152058609 407551876 /nfs/dbraw/zinc/55/18/76/407551876.db2.gz TULHUKBVCBXFQP-CYBMUJFWSA-N 1 0 317.349 1.306 20 5 DDBDRO C[NH2+][C@@H](C)Cc1noc(-c2cc3c(cc2[N+](=O)[O-])OCCO3)n1 ZINC000261627517 407556324 /nfs/dbraw/zinc/55/63/24/407556324.db2.gz CFKNBMAJJQUCIE-QMMMGPOBSA-N 1 0 320.305 1.566 20 5 DDBDRO CC[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)CC(C)(C)O ZINC000114487334 407584315 /nfs/dbraw/zinc/58/43/15/407584315.db2.gz BLCJKNSWSXUTEX-UHFFFAOYSA-N 1 0 309.366 1.650 20 5 DDBDRO C[C@H]1CCN(C(=O)COc2ccccc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000261702208 407584909 /nfs/dbraw/zinc/58/49/09/407584909.db2.gz FPWRZPTWNBHCQE-NWDGAFQWSA-N 1 0 307.350 1.559 20 5 DDBDRO O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000113983626 407533215 /nfs/dbraw/zinc/53/32/15/407533215.db2.gz VIEPGWAYIHWDOM-NSHDSACASA-N 1 0 320.349 1.396 20 5 DDBDRO COC(=O)[C@H](C)CN(C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000114062255 407534432 /nfs/dbraw/zinc/53/44/32/407534432.db2.gz WZIMANYCLBZJTG-LLVKDONJSA-N 1 0 323.349 1.583 20 5 DDBDRO CN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261798546 407619543 /nfs/dbraw/zinc/61/95/43/407619543.db2.gz UQRWDFNUOSXKNE-PBWFPOADSA-N 1 0 318.377 1.409 20 5 DDBDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000271357147 407650275 /nfs/dbraw/zinc/65/02/75/407650275.db2.gz FVTFYVODFCOMRK-LBPRGKRZSA-N 1 0 323.397 1.426 20 5 DDBDRO Cn1cc([N+](=O)[O-])c(C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)n1 ZINC000271399406 407668134 /nfs/dbraw/zinc/66/81/34/407668134.db2.gz MHXREANGCIMDDF-LBPRGKRZSA-N 1 0 321.381 1.419 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H](CO)C1 ZINC000266922691 407677478 /nfs/dbraw/zinc/67/74/78/407677478.db2.gz MIOJDRXESDLHHN-LBPRGKRZSA-N 1 0 307.350 1.546 20 5 DDBDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000186755923 407765085 /nfs/dbraw/zinc/76/50/85/407765085.db2.gz HKYPRQOCVOWYLG-NSHDSACASA-N 1 0 321.381 1.566 20 5 DDBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC000267191178 407783465 /nfs/dbraw/zinc/78/34/65/407783465.db2.gz HKFPGUFHPMOVPH-UHFFFAOYSA-N 1 0 320.393 1.847 20 5 DDBDRO [NH3+][C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)C1 ZINC000132526238 407789599 /nfs/dbraw/zinc/78/95/99/407789599.db2.gz YVNVLNMUVIALGU-GFCCVEGCSA-N 1 0 318.377 1.758 20 5 DDBDRO Cc1c(C(=O)N2CC[C@H]([C@H](C)[NH3+])C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000272186484 407810377 /nfs/dbraw/zinc/81/03/77/407810377.db2.gz DSIASIYNRAPEJM-UWVGGRQHSA-N 1 0 322.321 1.621 20 5 DDBDRO Cc1ccc(C(=O)NCCC[NH+]2CCC(O)CC2)cc1[N+](=O)[O-] ZINC000172312711 407819084 /nfs/dbraw/zinc/81/90/84/407819084.db2.gz LVCKMFSQRIISJF-UHFFFAOYSA-N 1 0 321.377 1.480 20 5 DDBDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000272322417 407867477 /nfs/dbraw/zinc/86/74/77/407867477.db2.gz UFHNIGDFGWXXFR-NEPJUHHUSA-N 1 0 307.350 1.559 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000262738427 407912759 /nfs/dbraw/zinc/91/27/59/407912759.db2.gz BFCOEMUPLWPNOR-ZYHUDNBSSA-N 1 0 313.379 1.180 20 5 DDBDRO O=C(N[C@@H]1CCC[NH2+]C1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000238125599 407892095 /nfs/dbraw/zinc/89/20/95/407892095.db2.gz NTSRFHCHUGVDNI-GFCCVEGCSA-N 1 0 315.333 1.262 20 5 DDBDRO CCOc1ccc(C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC000262891120 407963902 /nfs/dbraw/zinc/96/39/02/407963902.db2.gz WXHCBAXOWIMNLE-ZYHUDNBSSA-N 1 0 307.350 1.721 20 5 DDBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000268147756 407914219 /nfs/dbraw/zinc/91/42/19/407914219.db2.gz FKWCDIKLEIEZFC-XPTSAGLGSA-N 1 0 307.325 1.946 20 5 DDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000180743858 407915747 /nfs/dbraw/zinc/91/57/47/407915747.db2.gz FGJFQXDQLUHDDN-LLVKDONJSA-N 1 0 304.350 1.487 20 5 DDBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2nn(C)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000272467547 407934965 /nfs/dbraw/zinc/93/49/65/407934965.db2.gz WIABJMJPDXLUSI-WDEREUQCSA-N 1 0 309.370 1.131 20 5 DDBDRO Cc1cc(C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)c(N)c([N+](=O)[O-])c1 ZINC000273069355 408044564 /nfs/dbraw/zinc/04/45/64/408044564.db2.gz ZJJTUTQJSZCCTF-LLVKDONJSA-N 1 0 318.377 1.866 20 5 DDBDRO CCO[C@@H]1C[C@H](O)C12CC[NH+](CCn1cc([N+](=O)[O-])cn1)CC2 ZINC000174873066 407998617 /nfs/dbraw/zinc/99/86/17/407998617.db2.gz MSPHBJAGDIAIIL-UONOGXRCSA-N 1 0 324.381 1.043 20 5 DDBDRO NC(=O)C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000181937500 408057405 /nfs/dbraw/zinc/05/74/05/408057405.db2.gz ATHILCWHKLJNMT-HNNXBMFYSA-N 1 0 321.377 1.398 20 5 DDBDRO Cc1nnc([C@H]2CCC[N@H+](CCn3cc([N+](=O)[O-])cn3)C2)[nH]1 ZINC000268497003 408069867 /nfs/dbraw/zinc/06/98/67/408069867.db2.gz RIWYDAFKHZSMSX-NSHDSACASA-N 1 0 305.342 1.097 20 5 DDBDRO COCC[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccco1 ZINC000273222714 408113960 /nfs/dbraw/zinc/11/39/60/408113960.db2.gz DLOAQVXIOXOFFF-CHWSQXEVSA-N 1 0 324.337 1.113 20 5 DDBDRO CCc1n[nH]c(C(=O)NCCC[N@@H+]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000263650786 408189398 /nfs/dbraw/zinc/18/93/98/408189398.db2.gz GTNLQRBKMGYRHH-LLVKDONJSA-N 1 0 323.397 1.875 20 5 DDBDRO CC(=O)N1CC[C@H](C[N@H+](C)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000156657633 408268798 /nfs/dbraw/zinc/26/87/98/408268798.db2.gz XVVBGWZJJHHFBW-OAHLLOKOSA-N 1 0 305.378 1.938 20 5 DDBDRO C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)C1(CO)CCOCC1 ZINC000190977310 408350361 /nfs/dbraw/zinc/35/03/61/408350361.db2.gz IHQAHHKLMOFWLT-UHFFFAOYSA-N 1 0 324.377 1.837 20 5 DDBDRO C[C@H](O)[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000183195786 408350362 /nfs/dbraw/zinc/35/03/62/408350362.db2.gz CMCIEMWMFLZBEV-SDDRHHMPSA-N 1 0 307.350 1.625 20 5 DDBDRO Cc1c(NC(=O)[C@H](C)[N@@H+]2C[C@@H](C)[C@H](CO)C2)cccc1[N+](=O)[O-] ZINC000190924374 408343689 /nfs/dbraw/zinc/34/36/89/408343689.db2.gz NHJIIEZLYDTUFR-WXHSDQCUSA-N 1 0 321.377 1.790 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[NH+](CC(C)(C)O)CC1 ZINC000171154299 162206424 /nfs/dbraw/zinc/20/64/24/162206424.db2.gz PRZXOSPQMCFPKB-UHFFFAOYSA-N 1 0 323.393 1.492 20 5 DDBDRO CCOc1ccc(C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000159143510 408386214 /nfs/dbraw/zinc/38/62/14/408386214.db2.gz PRNAQLJEMMKOMO-MRXNPFEDSA-N 1 0 319.361 1.819 20 5 DDBDRO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000246977528 408378249 /nfs/dbraw/zinc/37/82/49/408378249.db2.gz GFTGUXUIHIDTMX-WCQYABFASA-N 1 0 309.370 1.026 20 5 DDBDRO CCCn1ccnc1CCC[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000191504437 408437073 /nfs/dbraw/zinc/43/70/73/408437073.db2.gz OIEQJCOJPNVDAM-UHFFFAOYSA-N 1 0 320.397 1.962 20 5 DDBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159882524 408440284 /nfs/dbraw/zinc/44/02/84/408440284.db2.gz SIBMFFPBVSABTR-YLXGSJGQSA-N 1 0 301.346 1.961 20 5 DDBDRO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000177030524 408500719 /nfs/dbraw/zinc/50/07/19/408500719.db2.gz FQINRWJALAEYQL-NSHDSACASA-N 1 0 306.366 1.733 20 5 DDBDRO C[C@H]1C[C@H](NC(=O)COc2cccc([N+](=O)[O-])c2)C[N@@H+]1C1CC1 ZINC000177133881 408531736 /nfs/dbraw/zinc/53/17/36/408531736.db2.gz FNIMYLZJIQDGDJ-RYUDHWBXSA-N 1 0 319.361 1.715 20 5 DDBDRO CC(C)(C)c1ccc(C(=O)N2CCO[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000274747858 408517680 /nfs/dbraw/zinc/51/76/80/408517680.db2.gz GBCSKJBSZNSVPA-GFCCVEGCSA-N 1 0 321.377 1.692 20 5 DDBDRO CS[C@@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000270519347 408560031 /nfs/dbraw/zinc/56/00/31/408560031.db2.gz SKHSNTASQLANEE-UONOGXRCSA-N 1 0 323.418 1.641 20 5 DDBDRO CC[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)CC(C)(C)O ZINC000265160336 408564215 /nfs/dbraw/zinc/56/42/15/408564215.db2.gz RAUVQEVSVSVJQG-UHFFFAOYSA-N 1 0 321.377 1.577 20 5 DDBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)[C@H]1OC ZINC000274944704 408572408 /nfs/dbraw/zinc/57/24/08/408572408.db2.gz RCYSNJQMHZMXQC-NILFDRSVSA-N 1 0 310.350 1.885 20 5 DDBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000184458935 408623373 /nfs/dbraw/zinc/62/33/73/408623373.db2.gz QZKNUEHXTUHXSL-JTQLQIEISA-N 1 0 307.354 1.176 20 5 DDBDRO CC(C)[C@@H](CCO)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000161767810 408636171 /nfs/dbraw/zinc/63/61/71/408636171.db2.gz WFFRXIONMJTJIK-CHWSQXEVSA-N 1 0 312.366 1.331 20 5 DDBDRO CC(C)[C@H](CCO)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000161767877 408638101 /nfs/dbraw/zinc/63/81/01/408638101.db2.gz WFFRXIONMJTJIK-OLZOCXBDSA-N 1 0 312.366 1.331 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000177556699 408657572 /nfs/dbraw/zinc/65/75/72/408657572.db2.gz QNFDTHMXUSLCRB-VXGBXAGGSA-N 1 0 306.366 1.901 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@H](C)[C@H]1CO ZINC000248936518 408663471 /nfs/dbraw/zinc/66/34/71/408663471.db2.gz NHKDPQYNPIALBG-SMDDNHRTSA-N 1 0 307.350 1.544 20 5 DDBDRO Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000193223740 408706371 /nfs/dbraw/zinc/70/63/71/408706371.db2.gz GJLOUEVNIXUCLC-LLVKDONJSA-N 1 0 313.379 1.323 20 5 DDBDRO C[NH+](C)C1(CNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CCC1 ZINC000275985408 408739447 /nfs/dbraw/zinc/73/94/47/408739447.db2.gz NAAGRZJFIBIRBJ-UHFFFAOYSA-N 1 0 317.349 1.685 20 5 DDBDRO CO[C@@H]1CN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC[C@H]1C ZINC000251941348 408791129 /nfs/dbraw/zinc/79/11/29/408791129.db2.gz URAMTTKSGICTAA-BXUZGUMPSA-N 1 0 307.350 1.890 20 5 DDBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@](C)(C(N)=O)C1 ZINC000280795052 408835266 /nfs/dbraw/zinc/83/52/66/408835266.db2.gz RLWJNBRSEQYRJB-BONVTDFDSA-N 1 0 320.349 1.119 20 5 DDBDRO CSc1cccc(C(=O)NC[C@H]2CC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000188075871 163039836 /nfs/dbraw/zinc/03/98/36/163039836.db2.gz CYRHYJRXBRIIIZ-SNVBAGLBSA-N 1 0 309.391 1.998 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCC([C@@H]3CCCO3)CC2)c1 ZINC000189162863 163086601 /nfs/dbraw/zinc/08/66/01/163086601.db2.gz VOWSWOGUPFORNH-CABCVRRESA-N 1 0 324.381 1.043 20 5 DDBDRO COC(=O)c1cnc(NC[C@H](C)[N@H+](C)C2CC2)c([N+](=O)[O-])c1 ZINC000190172017 163130376 /nfs/dbraw/zinc/13/03/76/163130376.db2.gz AGKQVQFLMLHTRH-VIFPVBQESA-N 1 0 308.338 1.671 20 5 DDBDRO COC[C@H](Cc1ccccc1)[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000191506268 163190054 /nfs/dbraw/zinc/19/00/54/163190054.db2.gz AVNHUURKYUWUCB-HNNXBMFYSA-N 1 0 318.377 1.981 20 5 DDBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000193637218 163262754 /nfs/dbraw/zinc/26/27/54/163262754.db2.gz ATNUHCIATGAWLG-RWMBFGLXSA-N 1 0 318.377 1.415 20 5 DDBDRO Cc1c(NC(=O)CC[N@H+](C)CCC(N)=O)cccc1[N+](=O)[O-] ZINC000286281596 408955136 /nfs/dbraw/zinc/95/51/36/408955136.db2.gz CJXFNGUXFKXUHC-UHFFFAOYSA-N 1 0 308.338 1.039 20 5 DDBDRO C[C@H](O)C[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000282094569 408990327 /nfs/dbraw/zinc/99/03/27/408990327.db2.gz OWOJEYKSQXETGV-NEPJUHHUSA-N 1 0 311.357 1.621 20 5 DDBDRO COC[C@@](C)([NH3+])CNc1cc(C)c([N+](=O)[O-])cc1C(=O)OC ZINC000287514005 409048589 /nfs/dbraw/zinc/04/85/89/409048589.db2.gz ZLTNCJZIVFJKCD-AWEZNQCLSA-N 1 0 311.338 1.466 20 5 DDBDRO CC[C@@H](O)C[NH+]1CCN(c2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC000278456629 409083836 /nfs/dbraw/zinc/08/38/36/409083836.db2.gz SIEBDGWEJQPJQF-GFCCVEGCSA-N 1 0 320.393 1.456 20 5 DDBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000278953146 409119570 /nfs/dbraw/zinc/11/95/70/409119570.db2.gz HMFMWKNBXVUZCI-NSHDSACASA-N 1 0 315.333 1.325 20 5 DDBDRO CO[C@@]1(C)CCC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000279391109 409204890 /nfs/dbraw/zinc/20/48/90/409204890.db2.gz UHCKQMIWIBKABR-CJNGLKHVSA-N 1 0 324.377 1.835 20 5 DDBDRO C[C@@H](C[NH+](C)C)NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000295609121 409357354 /nfs/dbraw/zinc/35/73/54/409357354.db2.gz YAWKLXBXEGGNAO-NSHDSACASA-N 1 0 307.350 1.624 20 5 DDBDRO CC[N@@H+]1CC[C@@H](CNC(=O)COc2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000280682786 409408972 /nfs/dbraw/zinc/40/89/72/409408972.db2.gz YWNQNOBQBNATMK-ZDUSSCGKSA-N 1 0 321.377 1.740 20 5 DDBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)[C@H]1CCN2CCO[C@H]1C2 ZINC000295281886 409411714 /nfs/dbraw/zinc/41/17/14/409411714.db2.gz DBVALEKCJDGWDI-HOTGVXAUSA-N 1 0 321.377 1.379 20 5 DDBDRO C[N@H+](C[C@H](O)COc1ccc([N+](=O)[O-])c(F)c1F)C1CC1 ZINC000296100498 409429885 /nfs/dbraw/zinc/42/98/85/409429885.db2.gz ZXCWESOZQWMRBO-VIFPVBQESA-N 1 0 302.277 1.707 20 5 DDBDRO C[C@@H]1CCCC[N@@H+]1CCCNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290555348 409443230 /nfs/dbraw/zinc/44/32/30/409443230.db2.gz QXSWNAIFIVJIOC-LLVKDONJSA-N 1 0 321.381 1.765 20 5 DDBDRO CNC(=O)c1ccc(NCCC[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000317263966 164026822 /nfs/dbraw/zinc/02/68/22/164026822.db2.gz MVLHZIKXOLRULS-UHFFFAOYSA-N 1 0 306.366 1.852 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000347020517 164098363 /nfs/dbraw/zinc/09/83/63/164098363.db2.gz YFTMKMDPPYOKSK-CYBMUJFWSA-N 1 0 321.381 1.185 20 5 DDBDRO Cn1nc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000357034104 164136773 /nfs/dbraw/zinc/13/67/73/164136773.db2.gz CEHYZACCFDHIRA-LBPRGKRZSA-N 1 0 321.381 1.323 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357095050 164138480 /nfs/dbraw/zinc/13/84/80/164138480.db2.gz ZVOJRWYLPKIGGQ-CHWSQXEVSA-N 1 0 318.377 1.383 20 5 DDBDRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000408156401 164245508 /nfs/dbraw/zinc/24/55/08/164245508.db2.gz ZJLFGGFCYWXNAQ-NEPJUHHUSA-N 1 0 321.381 1.222 20 5 DDBDRO C[C@@H]1CN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC[N@@H+](C2CC2)C1 ZINC000295445293 409486034 /nfs/dbraw/zinc/48/60/34/409486034.db2.gz AJSCWHSTLHTWNI-NSHDSACASA-N 1 0 318.377 1.733 20 5 DDBDRO CC[NH+](CC)CCCCNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290702907 409492694 /nfs/dbraw/zinc/49/26/94/409492694.db2.gz WHPDPUDYGQNHTL-UHFFFAOYSA-N 1 0 309.370 1.623 20 5 DDBDRO CC(C)[N@@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C[C@H](C)O ZINC000303989109 409560821 /nfs/dbraw/zinc/56/08/21/409560821.db2.gz KJPVPQOYTVXXDL-LBPRGKRZSA-N 1 0 309.366 1.649 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000342451398 409642211 /nfs/dbraw/zinc/64/22/11/409642211.db2.gz PAVZHJAPORMNHZ-OTYXRUKQSA-N 1 0 304.350 1.511 20 5 DDBDRO CC[N@@H+]1C[C@H](C)N(c2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H]1C ZINC000345170671 409655967 /nfs/dbraw/zinc/65/59/67/409655967.db2.gz IVKJNMOZGWWJKW-MNOVXSKESA-N 1 0 306.366 1.613 20 5 DDBDRO C[N@H+](CC[C@@H]1CCCO1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000342577197 409733727 /nfs/dbraw/zinc/73/37/27/409733727.db2.gz BGLDWTNZVNQDCV-ZDUSSCGKSA-N 1 0 307.350 1.695 20 5 DDBDRO CN1CC[N@H+](C)C[C@@H]1CNc1nccc2cc([N+](=O)[O-])ccc21 ZINC000296971622 409735849 /nfs/dbraw/zinc/73/58/49/409735849.db2.gz DDMBFXDHPSLTOB-AWEZNQCLSA-N 1 0 315.377 1.801 20 5 DDBDRO C[C@@H](CCc1ccco1)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000314919334 409835079 /nfs/dbraw/zinc/83/50/79/409835079.db2.gz HMLQXILZMISTFW-AAEUAGOBSA-N 1 0 308.338 1.356 20 5 DDBDRO COC(=O)c1cc(C(=O)N[C@H](C)C[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000346185464 409851107 /nfs/dbraw/zinc/85/11/07/409851107.db2.gz DPVAYQJGQHQFCS-SECBINFHSA-N 1 0 309.322 1.061 20 5 DDBDRO C[C@H]1CN(C)CCN1C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000331920957 409799735 /nfs/dbraw/zinc/79/97/35/409799735.db2.gz CAXRIHRYTULLJW-JTQLQIEISA-N 1 0 302.334 1.852 20 5 DDBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)CCn2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000354391104 409816223 /nfs/dbraw/zinc/81/62/23/409816223.db2.gz JUGUTTHEQTXFQQ-STQMWFEESA-N 1 0 323.397 1.513 20 5 DDBDRO C[NH+](C)CCN(Cc1ccccc1)c1ncc([N+](=O)[O-])cn1 ZINC000354586293 409953160 /nfs/dbraw/zinc/95/31/60/409953160.db2.gz KPUDDCUGIDIBFQ-UHFFFAOYSA-N 1 0 301.350 1.953 20 5 DDBDRO C[C@@H]1[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCCN1C ZINC000354548074 409931342 /nfs/dbraw/zinc/93/13/42/409931342.db2.gz RRUWPZCROHOOCK-ZWNOBZJWSA-N 1 0 313.379 1.356 20 5 DDBDRO COC(=O)[C@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000346657679 410062483 /nfs/dbraw/zinc/06/24/83/410062483.db2.gz LHCKZTKLSZRNRQ-FZMZJTMJSA-N 1 0 308.334 1.857 20 5 DDBDRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000346725144 410114740 /nfs/dbraw/zinc/11/47/40/410114740.db2.gz YFTUROKZUQSQNO-OAHLLOKOSA-N 1 0 321.377 1.778 20 5 DDBDRO C[C@H]1CC[C@H]([N@H+](CCO)CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000351635840 410124843 /nfs/dbraw/zinc/12/48/43/410124843.db2.gz QKRIXZNWIIQUOB-STQMWFEESA-N 1 0 309.366 1.239 20 5 DDBDRO C[C@H](CNC(=O)CCn1cc([N+](=O)[O-])cn1)[N@@H+]1CCCC[C@H]1C ZINC000351700900 410160410 /nfs/dbraw/zinc/16/04/10/410160410.db2.gz TUWAYWZQIUKYRJ-CHWSQXEVSA-N 1 0 323.397 1.561 20 5 DDBDRO CC[C@@H](C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1)[NH+](CC)CC ZINC000332732884 410240507 /nfs/dbraw/zinc/24/05/07/410240507.db2.gz SNLIELFHMVFUOE-HNNXBMFYSA-N 1 0 320.393 1.995 20 5 DDBDRO Cc1c(NC(=O)CC[N@H+]2C[C@@H](C)[C@H](O)C2)cccc1[N+](=O)[O-] ZINC000351934582 410349951 /nfs/dbraw/zinc/34/99/51/410349951.db2.gz IMWYPIVTIAYWBR-QMTHXVAHSA-N 1 0 307.350 1.544 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@H]2c2cccnc2)c1 ZINC000346999100 410298799 /nfs/dbraw/zinc/29/87/99/410298799.db2.gz PCXYUSDBCOKDFI-GJZGRUSLSA-N 1 0 317.349 1.384 20 5 DDBDRO C[C@H]1CN(c2ccncc2[N+](=O)[O-])CC[C@H]1[NH+]1CCN(C)CC1 ZINC000343425656 410443417 /nfs/dbraw/zinc/44/34/17/410443417.db2.gz LOMMRCJCGHTIIF-UONOGXRCSA-N 1 0 319.409 1.452 20 5 DDBDRO C[C@H]1C[C@@H](C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CC[NH2+]1 ZINC000358697934 410525940 /nfs/dbraw/zinc/52/59/40/410525940.db2.gz UPEFTYQBTHBNBI-AAEUAGOBSA-N 1 0 303.362 1.868 20 5 DDBDRO COC1CC([N@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000352209574 410547830 /nfs/dbraw/zinc/54/78/30/410547830.db2.gz CARKFRSAMJYRSB-CPCZMJQVSA-N 1 0 310.350 1.444 20 5 DDBDRO Cc1cn2cc(NC(=O)Cn3ccc([N+](=O)[O-])n3)ccc2n1 ZINC000343841792 410740174 /nfs/dbraw/zinc/74/01/74/410740174.db2.gz VYAQHSMIJCUVMG-UHFFFAOYSA-N 1 0 300.278 1.386 20 5 DDBDRO Cc1ccc(S(=O)(=O)N2CC[C@H]([NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000330534101 410757885 /nfs/dbraw/zinc/75/78/85/410757885.db2.gz UTFYOTIBLJVPCT-NSHDSACASA-N 1 0 313.379 1.228 20 5 DDBDRO [NH3+]C1(CO)CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000301820607 410805959 /nfs/dbraw/zinc/80/59/59/410805959.db2.gz JOHVVPHZNWTNKN-UHFFFAOYSA-N 1 0 319.283 1.904 20 5 DDBDRO C[N@@H+]1CCC[C@H]2CN(c3ccc4ncc([N+](=O)[O-])n4n3)CC[C@@H]21 ZINC000301965064 410836879 /nfs/dbraw/zinc/83/68/79/410836879.db2.gz NYLVWFLPOBHREF-RYUDHWBXSA-N 1 0 316.365 1.558 20 5 DDBDRO CCC[NH+]1CCC(NC(=O)c2[nH]nc(CC)c2[N+](=O)[O-])CC1 ZINC000330665988 410861880 /nfs/dbraw/zinc/86/18/80/410861880.db2.gz WZFRRIMUZZXGLL-UHFFFAOYSA-N 1 0 309.370 1.485 20 5 DDBDRO CN(CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@H](C[NH3+])C1CC1 ZINC000359983143 410983187 /nfs/dbraw/zinc/98/31/87/410983187.db2.gz GSYOEVXFVBBSKK-OAHLLOKOSA-N 1 0 318.377 1.153 20 5 DDBDRO C[C@H]1C[C@H](C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)CC[N@@H+]1C ZINC000344215505 411033234 /nfs/dbraw/zinc/03/32/34/411033234.db2.gz KVGSQMLKHXEROH-VHSXEESVSA-N 1 0 317.349 2.140 20 5 DDBDRO C[C@H](C[NH+]1CCCCCC1)NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000356464242 411044020 /nfs/dbraw/zinc/04/40/20/411044020.db2.gz JENDMFUTWVNUOZ-GFCCVEGCSA-N 1 0 308.382 1.928 20 5 DDBDRO C[NH+](C)C[C@@](C)(O)CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000133017324 196305688 /nfs/dbraw/zinc/30/56/88/196305688.db2.gz RVJDINWASNWJQK-HNNXBMFYSA-N 1 0 322.365 1.204 20 5 DDBDRO C[NH2+][C@@H]1CCCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000133061812 196308665 /nfs/dbraw/zinc/30/86/65/196308665.db2.gz UPSNLDSKPOZUIW-SECBINFHSA-N 1 0 303.322 1.295 20 5 DDBDRO COC[C@]1(C)CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000296640437 226076834 /nfs/dbraw/zinc/07/68/34/226076834.db2.gz IHGSEAOATIQFKW-OAHLLOKOSA-N 1 0 307.350 1.552 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@H](C)C[C@H]1C[NH3+] ZINC000420328776 226465058 /nfs/dbraw/zinc/46/50/58/226465058.db2.gz FRXCGPSOKZZVKF-AAEUAGOBSA-N 1 0 320.393 1.901 20 5 DDBDRO Cc1nn(C)c(C(=O)Nc2ccc([C@H](C)[NH3+])cc2)c1[N+](=O)[O-] ZINC000178202383 221859869 /nfs/dbraw/zinc/85/98/69/221859869.db2.gz JPNQTMWGOKKHDQ-QMMMGPOBSA-N 1 0 303.322 1.909 20 5 DDBDRO CC[C@H]1CN(CCn2cc([N+](=O)[O-])cn2)C[C@@]2(CCOC2)O1 ZINC000373805513 418462043 /nfs/dbraw/zinc/46/20/43/418462043.db2.gz ODQZJDFEPCJMAA-UONOGXRCSA-N 1 0 310.354 1.061 20 5 DDBDRO C[C@H](CC[NH+](C)C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000360655040 418485510 /nfs/dbraw/zinc/48/55/10/418485510.db2.gz WVCSOTRJYYBCSD-SECBINFHSA-N 1 0 319.358 1.352 20 5 DDBDRO [NH2+]=C(NO)[C@H]1CCCCN1CCOc1ccccc1[N+](=O)[O-] ZINC000374170290 418499922 /nfs/dbraw/zinc/49/99/22/418499922.db2.gz AQIDMVMXGBGQON-GFCCVEGCSA-N 1 0 308.338 1.784 20 5 DDBDRO COCCOC[C@@H](O)C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000295421458 418586018 /nfs/dbraw/zinc/58/60/18/418586018.db2.gz YFHSXLARNGBGMO-AWEZNQCLSA-N 1 0 312.366 1.093 20 5 DDBDRO O=[N+]([O-])c1ccn(C2CC[NH+](CCN3CCCOCC3)CC2)n1 ZINC000361381147 418640773 /nfs/dbraw/zinc/64/07/73/418640773.db2.gz LVIOHRFCIWSCOM-UHFFFAOYSA-N 1 0 323.397 1.151 20 5 DDBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(c2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000341798423 418626188 /nfs/dbraw/zinc/62/61/88/418626188.db2.gz KYDVACWGURZCKD-GRYCIOLGSA-N 1 0 320.397 1.809 20 5 DDBDRO COC(=O)c1cc(C)nc(N[C@@H](C)CC[NH+](C)C)c1[N+](=O)[O-] ZINC000341926376 418626758 /nfs/dbraw/zinc/62/67/58/418626758.db2.gz AZUOSYPQKBXUSD-VIFPVBQESA-N 1 0 310.354 1.837 20 5 DDBDRO Cc1nn(C)c(C)c1C[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375392744 418634096 /nfs/dbraw/zinc/63/40/96/418634096.db2.gz OTHYUGKJENZTFT-ZDUSSCGKSA-N 1 0 318.381 1.979 20 5 DDBDRO C[NH+](C)CC(C)(C)CNc1ncnc2cccc([N+](=O)[O-])c21 ZINC000347402966 418638848 /nfs/dbraw/zinc/63/88/48/418638848.db2.gz HXROAKKJDYQFAU-UHFFFAOYSA-N 1 0 303.366 2.538 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[NH+](C3CCOCC3)CC2)n1 ZINC000408170514 418791537 /nfs/dbraw/zinc/79/15/37/418791537.db2.gz FFBVKNIJKMQPKV-UHFFFAOYSA-N 1 0 320.393 1.908 20 5 DDBDRO C[C@H](CO)[N@@H+]1CCCN(c2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC000364611070 418793559 /nfs/dbraw/zinc/79/35/59/418793559.db2.gz YLFFKLLLIHLWRY-GFCCVEGCSA-N 1 0 320.393 1.456 20 5 DDBDRO O=C(Nc1ccncc1[N+](=O)[O-])N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000364683501 418799488 /nfs/dbraw/zinc/79/94/88/418799488.db2.gz FSKXCCDGROZMHN-LBPRGKRZSA-N 1 0 319.365 1.504 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000371825249 418820361 /nfs/dbraw/zinc/82/03/61/418820361.db2.gz QTCZJRGJJODYSE-JKSUJKDBSA-N 1 0 305.378 1.939 20 5 DDBDRO O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000365587278 418878482 /nfs/dbraw/zinc/87/84/82/418878482.db2.gz KLXZKYVHNKTIBK-ARFHVFGLSA-N 1 0 317.389 1.680 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1CCCC[C@H]1N1CCOCC1 ZINC000365595283 418879709 /nfs/dbraw/zinc/87/97/09/418879709.db2.gz CQNHHDLGTGPFLY-QWHCGFSZSA-N 1 0 323.397 1.061 20 5 DDBDRO CN(C(=O)CN[C@@H]1CCCC[C@H]1[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000424299641 228256233 /nfs/dbraw/zinc/25/62/33/228256233.db2.gz FHFUKPAISGPNNG-ZIAGYGMSSA-N 1 0 306.366 1.417 20 5 DDBDRO Cn1cc([C@@H]2CN(Cc3c(F)cccc3[N+](=O)[O-])C[C@H]2[NH3+])cn1 ZINC000424298765 228256553 /nfs/dbraw/zinc/25/65/53/228256553.db2.gz SFVOYKTVHKJBFH-SMDDNHRTSA-N 1 0 319.340 1.394 20 5 DDBDRO COc1ccc(OCC[N@H+]2C[C@H](CO)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000420943303 419374271 /nfs/dbraw/zinc/37/42/71/419374271.db2.gz POQPOECQNYKBRA-QWHCGFSZSA-N 1 0 324.377 1.933 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](C(=O)N(C)C)C1 ZINC000411958390 419523180 /nfs/dbraw/zinc/52/31/80/419523180.db2.gz UUHFWBAOEZGHAZ-GFCCVEGCSA-N 1 0 307.350 1.514 20 5 DDBDRO CN(CC[NH3+])C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000418087559 419523910 /nfs/dbraw/zinc/52/39/10/419523910.db2.gz HMWMQNBDDADOMB-UHFFFAOYSA-N 1 0 320.271 1.714 20 5 DDBDRO COc1cc(C[NH2+][C@H](CO)[C@@H]2CCCOC2)ccc1[N+](=O)[O-] ZINC000411983251 419542069 /nfs/dbraw/zinc/54/20/69/419542069.db2.gz FNJLTWVYIWAPBZ-CHWSQXEVSA-N 1 0 310.350 1.481 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](CO)[C@@H]1CCCOC1 ZINC000411991892 419548455 /nfs/dbraw/zinc/54/84/55/419548455.db2.gz YMMBJGMKIQLKSO-RISCZKNCSA-N 1 0 310.350 1.481 20 5 DDBDRO C[C@@H]1[C@@H](CO)CCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000412061859 419608185 /nfs/dbraw/zinc/60/81/85/419608185.db2.gz AKLXPLBKYVCOIC-MGPQQGTHSA-N 1 0 324.377 1.427 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000427597695 419690014 /nfs/dbraw/zinc/69/00/14/419690014.db2.gz XIMOIRKXSVPUJC-ZDUSSCGKSA-N 1 0 319.361 1.912 20 5 DDBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000421707063 419694168 /nfs/dbraw/zinc/69/41/68/419694168.db2.gz WQFZKSXIJQPYKR-ZDUSSCGKSA-N 1 0 321.377 1.916 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N2CC([NH+](C)C)C2)c1F ZINC000412239481 419740266 /nfs/dbraw/zinc/74/02/66/419740266.db2.gz YZGVWZLZNYMXNV-UHFFFAOYSA-N 1 0 311.313 1.057 20 5 DDBDRO Cn1cc(CNC[C@@H]2CCC[NH2+]2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000414845722 419836913 /nfs/dbraw/zinc/83/69/13/419836913.db2.gz MLFVGDCZMDYXKV-AWEZNQCLSA-N 1 0 315.377 1.837 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NCC1([NH+](C)C)CCCC1 ZINC000299294259 229033118 /nfs/dbraw/zinc/03/31/18/229033118.db2.gz LYEQKBVDSUDULJ-UHFFFAOYSA-N 1 0 309.370 1.090 20 5 DDBDRO C[C@H]1CC[C@H]([N@H+](CCO)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000429794231 420049025 /nfs/dbraw/zinc/04/90/25/420049025.db2.gz WTQKGLWUFBGJIV-FZMZJTMJSA-N 1 0 321.377 1.677 20 5 DDBDRO COc1ccc(NC(=O)N[C@@H](CC[NH3+])C(F)F)cc1[N+](=O)[O-] ZINC000415432126 420063849 /nfs/dbraw/zinc/06/38/49/420063849.db2.gz FNJZCLHPYZPGNA-QMMMGPOBSA-N 1 0 318.280 1.707 20 5 DDBDRO C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000415510794 420094641 /nfs/dbraw/zinc/09/46/41/420094641.db2.gz ZRUWTWQBJKSRJG-SKDRFNHKSA-N 1 0 308.338 1.829 20 5 DDBDRO Cc1c(CC(=O)N[C@@H]2[C@@H](C)CC[NH2+][C@H]2C)cccc1[N+](=O)[O-] ZINC000423635586 420108620 /nfs/dbraw/zinc/10/86/20/420108620.db2.gz PEBPGRUGYBQHOJ-KNHMANMVSA-N 1 0 305.378 1.948 20 5 DDBDRO COc1cc(C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)cc([N+](=O)[O-])c1C ZINC000423673795 420122694 /nfs/dbraw/zinc/12/26/94/420122694.db2.gz AKFRITHVQCCXMR-AAEUAGOBSA-N 1 0 319.361 1.736 20 5 DDBDRO COC(=O)c1cc(C(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)cc([N+](=O)[O-])c1 ZINC000423534939 420074354 /nfs/dbraw/zinc/07/43/54/420074354.db2.gz WTZKJVXKJPVCPJ-ZJUUUORDSA-N 1 0 321.333 1.191 20 5 DDBDRO C[NH2+]CC1CCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000430918621 420204044 /nfs/dbraw/zinc/20/40/44/420204044.db2.gz NLZVCSPKKKBCAG-UHFFFAOYSA-N 1 0 320.393 1.489 20 5 DDBDRO Cc1c(NC(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000415692817 420148417 /nfs/dbraw/zinc/14/84/17/420148417.db2.gz PDRYANRINQYLPD-OAHLLOKOSA-N 1 0 320.349 1.039 20 5 DDBDRO C[C@@H]1CN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC[C@H]1[NH3+] ZINC000430954092 420222012 /nfs/dbraw/zinc/22/20/12/420222012.db2.gz IPBNPHHNOCVDET-KCPJHIHWSA-N 1 0 318.377 1.369 20 5 DDBDRO CCOc1ccc(NC(=O)CN(C)[C@H](C)C[NH3+])c([N+](=O)[O-])c1 ZINC000430963056 420225411 /nfs/dbraw/zinc/22/54/11/420225411.db2.gz RZILAEWLSUVPRF-SNVBAGLBSA-N 1 0 310.354 1.211 20 5 DDBDRO Cc1c(NC(=O)CCN2CC[C@H]([NH3+])[C@@H]2C)cccc1[N+](=O)[O-] ZINC000420353607 420232371 /nfs/dbraw/zinc/23/23/71/420232371.db2.gz NKQWCAOKTOMTHX-RYUDHWBXSA-N 1 0 306.366 1.653 20 5 DDBDRO COc1ccc(NC(=O)CN[C@H](C[NH3+])C(C)(C)C)c([N+](=O)[O-])c1 ZINC000420356377 420232946 /nfs/dbraw/zinc/23/29/46/420232946.db2.gz GIHVBPLRWJTJNT-CYBMUJFWSA-N 1 0 324.381 1.505 20 5 DDBDRO CC(C)(C)[C@@H](CN)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000420373417 420244297 /nfs/dbraw/zinc/24/42/97/420244297.db2.gz ZDTWQWJJFDYXQR-CYBMUJFWSA-N 1 0 308.382 1.886 20 5 DDBDRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000420378156 420248474 /nfs/dbraw/zinc/24/84/74/420248474.db2.gz WXEKLIDPMMSVTP-XHBSWPGZSA-N 1 0 320.393 1.900 20 5 DDBDRO COc1cc(C(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)cc([N+](=O)[O-])c1C ZINC000423977636 420290020 /nfs/dbraw/zinc/29/00/20/420290020.db2.gz WLLFBYKBIBTDLG-QLJPJBMISA-N 1 0 321.377 1.969 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[NH2+][C@@H](C)[C@H]1C ZINC000436061298 420305540 /nfs/dbraw/zinc/30/55/40/420305540.db2.gz TZAULZILVAXHNZ-NWDGAFQWSA-N 1 0 306.366 1.524 20 5 DDBDRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000416303861 420321325 /nfs/dbraw/zinc/32/13/25/420321325.db2.gz HMXGOVLBYDOHJA-STQMWFEESA-N 1 0 321.377 1.051 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)c1 ZINC000423985441 420291280 /nfs/dbraw/zinc/29/12/80/420291280.db2.gz RDFMLGPQZWZWOO-MEBBXXQBSA-N 1 0 307.350 1.660 20 5 DDBDRO COc1cccc(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000436009898 420301325 /nfs/dbraw/zinc/30/13/25/420301325.db2.gz WQFWEDXBHYCHOU-VXGBXAGGSA-N 1 0 319.361 1.960 20 5 DDBDRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000275105569 287625341 /nfs/dbraw/zinc/62/53/41/287625341.db2.gz DMPKXNJNYFDNAL-KOLCDFICSA-N 1 0 321.333 1.094 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC[C@@H](CC(F)(F)F)C2)c1 ZINC000444697971 230124179 /nfs/dbraw/zinc/12/41/79/230124179.db2.gz RIFCAGAKKRDMMC-ONGXEEELSA-N 1 0 322.287 1.427 20 5 DDBDRO COCC[C@]1([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)CCOC1 ZINC000447080128 230332265 /nfs/dbraw/zinc/33/22/65/230332265.db2.gz ZAKZBKPTPDGULV-HNNXBMFYSA-N 1 0 310.350 1.889 20 5 DDBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[NH2+]C1 ZINC000417720448 420460562 /nfs/dbraw/zinc/46/05/62/420460562.db2.gz RRMCMEFDZOVNTO-ZDUSSCGKSA-N 1 0 306.366 1.579 20 5 DDBDRO O=C(NCCC[C@@H]1CCC[NH2+]1)NCCc1ccccc1[N+](=O)[O-] ZINC000417767702 420472689 /nfs/dbraw/zinc/47/26/89/420472689.db2.gz QTHBUKPBYOOCTO-AWEZNQCLSA-N 1 0 320.393 1.969 20 5 DDBDRO NC(=O)c1cccc(NCCCC[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000439094508 420479942 /nfs/dbraw/zinc/47/99/42/420479942.db2.gz BHOQDXYIRGVOOV-UHFFFAOYSA-N 1 0 322.365 1.218 20 5 DDBDRO CO[C@H]1C[C@H]([NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1(C)C ZINC000451496041 420601025 /nfs/dbraw/zinc/60/10/25/420601025.db2.gz LOXNUFSAGVQUIQ-STQMWFEESA-N 1 0 307.350 1.597 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000457105358 420614684 /nfs/dbraw/zinc/61/46/84/420614684.db2.gz CDMQILOOSYOQDT-GFCCVEGCSA-N 1 0 309.370 1.041 20 5 DDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@@H](C)C[NH3+])cc1OC ZINC000441609296 420656957 /nfs/dbraw/zinc/65/69/57/420656957.db2.gz JHHOAOJOZRNUKT-VIFPVBQESA-N 1 0 311.338 1.327 20 5 DDBDRO C[C@H]1C[C@H](NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000442132917 420671420 /nfs/dbraw/zinc/67/14/20/420671420.db2.gz QKSDANHFBDIYED-CMPLNLGQSA-N 1 0 320.349 1.132 20 5 DDBDRO C[NH+](C)CC(C)(C)NC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000458593712 420694138 /nfs/dbraw/zinc/69/41/38/420694138.db2.gz UPXWGTVSSMNZQW-UHFFFAOYSA-N 1 0 308.382 1.777 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@@H](C[NH3+])C[C@@H]1C ZINC000442765163 420712181 /nfs/dbraw/zinc/71/21/81/420712181.db2.gz HBUUUYDIFZWWNT-NWDGAFQWSA-N 1 0 306.366 1.511 20 5 DDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCc2ncnn2C1 ZINC000449128219 420955892 /nfs/dbraw/zinc/95/58/92/420955892.db2.gz YOCUSJYVFIHFGJ-AAEUAGOBSA-N 1 0 301.350 1.722 20 5 DDBDRO CC[C@H]1C[N@H+](CC)CCN1C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000455040382 420961056 /nfs/dbraw/zinc/96/10/56/420961056.db2.gz MHSXUUVWXCKUPX-NSHDSACASA-N 1 0 307.354 1.360 20 5 DDBDRO CC1(C)C[NH2+]CC[C@H]1NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000449702354 421062752 /nfs/dbraw/zinc/06/27/52/421062752.db2.gz YZOFRVLRUAJOBB-CQSZACIVSA-N 1 0 320.393 1.901 20 5 DDBDRO Cc1nn(CCC(=O)NCCC[C@@H]2CCC[NH2+]2)c(C)c1[N+](=O)[O-] ZINC000449677260 421055460 /nfs/dbraw/zinc/05/54/60/421055460.db2.gz ALUQEMVBGSIBRS-ZDUSSCGKSA-N 1 0 323.397 1.447 20 5 DDBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(NC)n2)C1 ZINC000455818472 421065406 /nfs/dbraw/zinc/06/54/06/421065406.db2.gz MGXQEPGMZSMXNO-LLVKDONJSA-N 1 0 321.381 1.445 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000449719278 421067706 /nfs/dbraw/zinc/06/77/06/421067706.db2.gz LCYCMTQWPZPDNL-VIFPVBQESA-N 1 0 306.244 1.308 20 5 DDBDRO C[N@@H+]1CC[C@H](Cn2nnnc2Sc2ccc([N+](=O)[O-])nc2)C1 ZINC000450397909 421193310 /nfs/dbraw/zinc/19/33/10/421193310.db2.gz WMGXQDTZXMMBIP-VIFPVBQESA-N 1 0 321.366 1.079 20 5 DDBDRO C[C@@H]1C[C@H](NC(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000561159467 421310056 /nfs/dbraw/zinc/31/00/56/421310056.db2.gz PEZWBOCAWWOEFY-VXGBXAGGSA-N 1 0 322.365 1.413 20 5 DDBDRO Cc1ccc2c(c1)[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CO2 ZINC000563529882 421518440 /nfs/dbraw/zinc/51/84/40/421518440.db2.gz KBGHUANIKFHOPT-GXTWGEPZSA-N 1 0 318.333 1.184 20 5 DDBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000548714397 421466149 /nfs/dbraw/zinc/46/61/49/421466149.db2.gz WCSAKWJXGXBNQQ-LLVKDONJSA-N 1 0 321.381 1.566 20 5 DDBDRO CC[C@H]1C[N@H+](C)CCN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000563989956 421564081 /nfs/dbraw/zinc/56/40/81/421564081.db2.gz OCBVGJBYIOMJFL-LBPRGKRZSA-N 1 0 306.366 1.559 20 5 DDBDRO CNc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000516768249 421566789 /nfs/dbraw/zinc/56/67/89/421566789.db2.gz OQJDRJSTNKAIQU-VXGBXAGGSA-N 1 0 306.366 1.884 20 5 DDBDRO CC[C@H]1C[N@H+](C)CCN1C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000516852235 421571178 /nfs/dbraw/zinc/57/11/78/421571178.db2.gz JAAFMVGLRCJFAL-AWEZNQCLSA-N 1 0 320.393 1.873 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000571550997 421725228 /nfs/dbraw/zinc/72/52/28/421725228.db2.gz UQGHNDNZNJXNPF-ZWNOBZJWSA-N 1 0 307.350 1.851 20 5 DDBDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000570814534 421670203 /nfs/dbraw/zinc/67/02/03/421670203.db2.gz CPDHGYLPXCRLAM-NEPJUHHUSA-N 1 0 322.365 1.352 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](C)C[C@@H](C)[NH3+])c1C ZINC000570842561 421673907 /nfs/dbraw/zinc/67/39/07/421673907.db2.gz PAPFBWVYIDEGBH-ZJUUUORDSA-N 1 0 315.395 1.616 20 5 DDBDRO CC[C@H](C)[C@@H](O)C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000580892198 421859815 /nfs/dbraw/zinc/85/98/15/421859815.db2.gz AIKIIQWBDVFKLX-WHOFXGATSA-N 1 0 312.366 1.331 20 5 DDBDRO CC[NH2+]CCCNS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000574876536 422202717 /nfs/dbraw/zinc/20/27/17/422202717.db2.gz INSNMXZXEBUHJR-UHFFFAOYSA-N 1 0 315.395 1.490 20 5 DDBDRO C[C@H](C[NH+]1CCC(C)CC1)Nc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000596487316 422378373 /nfs/dbraw/zinc/37/83/73/422378373.db2.gz GJXGFGUMVNZHDM-GFCCVEGCSA-N 1 0 318.381 2.170 20 5 DDBDRO CNc1ccc(C(=O)N[C@H]2CC[NH2+]CC2(C)C)cc1[N+](=O)[O-] ZINC000577823210 422432981 /nfs/dbraw/zinc/43/29/81/422432981.db2.gz WRMWGYZQNKQBPO-ZDUSSCGKSA-N 1 0 306.366 1.754 20 5 DDBDRO O=[N+]([O-])c1ccc(CN2CC[C@@H](CO)[C@H](O)C2)c(Cl)c1 ZINC000578795619 422649048 /nfs/dbraw/zinc/64/90/48/422649048.db2.gz PHKJNEZFUAFJNO-GXFFZTMASA-N 1 0 300.742 1.423 20 5 DDBDRO CC(C)[N@H+](CCN1C(=O)CCC1=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000193843081 263495181 /nfs/dbraw/zinc/49/51/81/263495181.db2.gz AXOJZUWBDLDYEX-UHFFFAOYSA-N 1 0 319.361 1.954 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000341682532 271167075 /nfs/dbraw/zinc/16/70/75/271167075.db2.gz CRDNIDLTWVSBOY-KGLIPLIRSA-N 1 0 321.377 1.505 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCCCC[C@@H]1CCO ZINC000342070544 271290340 /nfs/dbraw/zinc/29/03/40/271290340.db2.gz WRPSCGQBBWGEDU-CYBMUJFWSA-N 1 0 309.366 1.384 20 5 DDBDRO COC(=O)CC[C@@H]([NH3+])C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000342665824 271473963 /nfs/dbraw/zinc/47/39/63/271473963.db2.gz YTXWEVHPDXIJDT-GFCCVEGCSA-N 1 0 323.349 1.227 20 5 DDBDRO C[NH+]1CCN(CCCNC(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000344359822 272008512 /nfs/dbraw/zinc/00/85/12/272008512.db2.gz WMDOBFFBYYJPEE-UHFFFAOYSA-N 1 0 324.356 1.101 20 5 DDBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1c1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000408106099 274368019 /nfs/dbraw/zinc/36/80/19/274368019.db2.gz XBISAYXQOTZOKR-NXEZZACHSA-N 1 0 317.349 1.772 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC[C@@H]2C[N@H+]2CCC[C@H]2CO)nc1 ZINC000301526265 275036250 /nfs/dbraw/zinc/03/62/50/275036250.db2.gz JFGYDYIJSBVXJC-KGLIPLIRSA-N 1 0 306.366 1.415 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC[C@H]2C[N@H+]2CCC[C@@H]2CO)nc1 ZINC000301526267 275036294 /nfs/dbraw/zinc/03/62/94/275036294.db2.gz JFGYDYIJSBVXJC-UONOGXRCSA-N 1 0 306.366 1.415 20 5 DDBDRO CC[NH+]1CCN([C@@H]2CCN(c3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000106478976 276199023 /nfs/dbraw/zinc/19/90/23/276199023.db2.gz FONPFIAENSAMGP-CQSZACIVSA-N 1 0 305.382 1.206 20 5 DDBDRO CC(C)(C)[NH2+]CCN1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000415113164 277172842 /nfs/dbraw/zinc/17/28/42/277172842.db2.gz WJBDARWJUZUODT-UHFFFAOYSA-N 1 0 307.398 1.500 20 5 DDBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000183639450 279302508 /nfs/dbraw/zinc/30/25/08/279302508.db2.gz AOMBAKRDTOAQHG-LLVKDONJSA-N 1 0 307.354 1.986 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H]2CCC[NH2+]2)c1C ZINC000178921606 281015665 /nfs/dbraw/zinc/01/56/65/281015665.db2.gz ZZASWNVSNGFTMR-NSHDSACASA-N 1 0 313.379 1.242 20 5 DDBDRO Cc1c(CC(=O)NC[C@@H]2CCC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC000121834808 281145289 /nfs/dbraw/zinc/14/52/89/281145289.db2.gz DCRGXJORCLALAC-ZDUSSCGKSA-N 1 0 305.378 1.904 20 5 DDBDRO Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000123466724 281171805 /nfs/dbraw/zinc/17/18/05/281171805.db2.gz LWYBJKZEESUNCA-NSHDSACASA-N 1 0 313.379 1.405 20 5 DDBDRO CO[C@]1(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CCOC1 ZINC000447591756 294882500 /nfs/dbraw/zinc/88/25/00/294882500.db2.gz FIKPYVQXHQJZFV-GUTXKFCHSA-N 1 0 324.381 1.670 20 5 DDBDRO O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000290224200 295396102 /nfs/dbraw/zinc/39/61/02/295396102.db2.gz UBNOSHUXSVWCQH-BUHQSOCUSA-N 1 0 301.346 1.676 20 5 DDBDRO C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000321648868 298259063 /nfs/dbraw/zinc/25/90/63/298259063.db2.gz PSBPLXJUYUYHBP-SWLSCSKDSA-N 1 0 318.377 1.241 20 5 DDBDRO C[NH+](C)CCN(C(=O)COc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000356900920 298905542 /nfs/dbraw/zinc/90/55/42/298905542.db2.gz WKEDMOGGDHDUJK-UHFFFAOYSA-N 1 0 307.350 1.526 20 5 DDBDRO O=C(CCn1cc([N+](=O)[O-])cn1)NCCCCC[NH+]1CCCC1 ZINC000357062619 298954241 /nfs/dbraw/zinc/95/42/41/298954241.db2.gz VNVDWCFFBDIAJU-UHFFFAOYSA-N 1 0 323.397 1.564 20 5 DDBDRO COCCO[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000362508951 300081620 /nfs/dbraw/zinc/08/16/20/300081620.db2.gz ZQEHAFUPHCCDMX-GOEBONIOSA-N 1 0 324.377 1.813 20 5 DDBDRO C[N@H+](CCNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)C1CC1 ZINC000362617466 300106752 /nfs/dbraw/zinc/10/67/52/300106752.db2.gz NQHLUOGPHCCHHR-UHFFFAOYSA-N 1 0 313.304 1.626 20 5 DDBDRO CC(C)C[N@@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000363884074 300320638 /nfs/dbraw/zinc/32/06/38/300320638.db2.gz FLBPBQYMDUHEMA-UHFFFAOYSA-N 1 0 321.381 1.376 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@@H](OCC3CC3)C2)c1 ZINC000364451248 300399129 /nfs/dbraw/zinc/39/91/29/300399129.db2.gz XOMNTTZCINUWGM-HUUCEWRRSA-N 1 0 324.381 1.043 20 5 DDBDRO O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000365330346 300499750 /nfs/dbraw/zinc/49/97/50/300499750.db2.gz YFUZAULVBIPMQH-SDCXRFKSSA-N 1 0 301.346 1.818 20 5 DDBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000368364108 301011445 /nfs/dbraw/zinc/01/14/45/301011445.db2.gz VKUUOGDAWIIJEU-NHAGDIPZSA-N 1 0 304.350 1.121 20 5 DDBDRO O=C(N[C@@H]1CC12CC[NH2+]CC2)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000368379110 301014575 /nfs/dbraw/zinc/01/45/75/301014575.db2.gz TWESEBFWWLPTEG-GFCCVEGCSA-N 1 0 320.305 1.375 20 5 DDBDRO CCOc1ccc(C(=O)N2CC[C@H]3C[NH2+]C[C@H]32)cc1[N+](=O)[O-] ZINC000368381947 301015154 /nfs/dbraw/zinc/01/51/54/301015154.db2.gz YYDBJGJKEXHLEA-WCQYABFASA-N 1 0 305.334 1.427 20 5 DDBDRO O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000368384479 301015999 /nfs/dbraw/zinc/01/59/99/301015999.db2.gz JEMIPTKXJWQCLO-IUCAKERBSA-N 1 0 301.705 1.678 20 5 DDBDRO C[NH+]1CCC(C(=O)N2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000368410323 301021615 /nfs/dbraw/zinc/02/16/15/301021615.db2.gz BBWRPWMVTCECQF-ZDUSSCGKSA-N 1 0 321.381 1.297 20 5 DDBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](CC(N)=O)C1 ZINC000368579789 301056694 /nfs/dbraw/zinc/05/66/94/301056694.db2.gz UIIKPGDLXUFWMH-QWRGUYRKSA-N 1 0 320.349 1.119 20 5 DDBDRO Cc1c(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)cccc1[N+](=O)[O-] ZINC000368976270 301115532 /nfs/dbraw/zinc/11/55/32/301115532.db2.gz VGECAVZOBQBKCJ-YDHLFZDLSA-N 1 0 303.362 1.989 20 5 DDBDRO O=[N+]([O-])c1ccccc1N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000369349459 301169692 /nfs/dbraw/zinc/16/96/92/301169692.db2.gz YQKXCEHRKWQMKS-CQSZACIVSA-N 1 0 320.393 1.413 20 5 DDBDRO Cc1nc(C)n(C[C@@H]2CCC[N@@H+]2CCn2ccc([N+](=O)[O-])n2)n1 ZINC000370024584 301260562 /nfs/dbraw/zinc/26/05/62/301260562.db2.gz ABXQYBUCKAMLMG-ZDUSSCGKSA-N 1 0 319.369 1.164 20 5 DDBDRO Cc1cnn(C2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000370030481 301261731 /nfs/dbraw/zinc/26/17/31/301261731.db2.gz WJTXLNIPEDMMEG-UHFFFAOYSA-N 1 0 304.354 1.633 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H]2COC[C@H]21 ZINC000370223568 301297815 /nfs/dbraw/zinc/29/78/15/301297815.db2.gz DHGZITCHKUVJBV-GZBFAFLISA-N 1 0 322.361 1.445 20 5 DDBDRO Cc1nn(C)c(N2CC[C@H](C3CC[NH+](C)CC3)C2)c1[N+](=O)[O-] ZINC000371065452 301421103 /nfs/dbraw/zinc/42/11/03/301421103.db2.gz WMPXBFPEGHUKDB-ZDUSSCGKSA-N 1 0 307.398 1.805 20 5 DDBDRO C[C@@]1(F)C[NH2+]CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000420334526 302382388 /nfs/dbraw/zinc/38/23/88/302382388.db2.gz OTBLACNJMKUZDB-CQSZACIVSA-N 1 0 308.313 1.869 20 5 DDBDRO C[C@H](CCC[NH3+])NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000420443274 302384934 /nfs/dbraw/zinc/38/49/34/302384934.db2.gz QMMBSRDONISURB-SNVBAGLBSA-N 1 0 301.368 1.142 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C2(c3ccc(F)cc3)CC2)c1 ZINC000440293011 302389897 /nfs/dbraw/zinc/38/98/97/302389897.db2.gz OUEZLNWKODQOAF-CQSZACIVSA-N 1 0 320.324 1.570 20 5 DDBDRO [NH3+]C[C@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CCCO1 ZINC000517564448 302815070 /nfs/dbraw/zinc/81/50/70/302815070.db2.gz AMSWQOVCWNSGKY-LBPRGKRZSA-N 1 0 319.317 1.531 20 5 DDBDRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000532397200 303284935 /nfs/dbraw/zinc/28/49/35/303284935.db2.gz AZCIKGZNLDMMBM-CYBMUJFWSA-N 1 0 318.377 1.794 20 5 DDBDRO CS[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cn2)C[C@H]1[NH+](C)C ZINC000535729415 303350012 /nfs/dbraw/zinc/35/00/12/303350012.db2.gz WIXVJABSVVLKLZ-NEPJUHHUSA-N 1 0 310.379 1.107 20 5 DDBDRO O=C(CCn1cc([N+](=O)[O-])cn1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000357872257 306922769 /nfs/dbraw/zinc/92/27/69/306922769.db2.gz GHFHOVFCQJKLFR-UHFFFAOYSA-N 1 0 321.381 1.174 20 5 DDBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1COCCO1 ZINC000358227543 306935184 /nfs/dbraw/zinc/93/51/84/306935184.db2.gz UNKQWQYKAZTTKR-BXUZGUMPSA-N 1 0 323.349 1.317 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@@H]2CCOC3(CCC3)C2)c1 ZINC000563001267 303908339 /nfs/dbraw/zinc/90/83/39/303908339.db2.gz ROGKMXUYKKOWEF-OCCSQVGLSA-N 1 0 324.381 1.091 20 5 DDBDRO COC(=O)[C@H]1CCCCCC[C@H]1[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000360486059 306983172 /nfs/dbraw/zinc/98/31/72/306983172.db2.gz VNAHHKCNJWEYHE-NWDGAFQWSA-N 1 0 324.381 1.930 20 5 DDBDRO C[N@@H+]1CCCC12CCN(c1ccc3ncc([N+](=O)[O-])n3n1)CC2 ZINC000364640563 307049247 /nfs/dbraw/zinc/04/92/47/307049247.db2.gz XGRKBNZOJMDEKG-UHFFFAOYSA-N 1 0 316.365 1.702 20 5 DDBDRO Cc1ccc(CN2CCC[N@@H+]([C@H](C)CO)CC2)cc1[N+](=O)[O-] ZINC000364973908 307055527 /nfs/dbraw/zinc/05/55/27/307055527.db2.gz NNDRYDBWCUCALX-CQSZACIVSA-N 1 0 307.394 1.792 20 5 DDBDRO Nc1ccc(C(=O)N2CCC[C@@H]3C[NH2+]CCC[C@H]32)cc1[N+](=O)[O-] ZINC000366448158 307074110 /nfs/dbraw/zinc/07/41/10/307074110.db2.gz MDRXEPYEDUJOLY-TZMCWYRMSA-N 1 0 318.377 1.781 20 5 DDBDRO O=C(COc1cccc([N+](=O)[O-])c1)N1CCC2(C1)CC[NH2+]CC2 ZINC000367371914 307092132 /nfs/dbraw/zinc/09/21/32/307092132.db2.gz OOOKYAWLDIWLCN-UHFFFAOYSA-N 1 0 319.361 1.576 20 5 DDBDRO CC(C)(O)C[N@@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000372557203 307170349 /nfs/dbraw/zinc/17/03/49/307170349.db2.gz ZIIBLENNGFWQOE-UHFFFAOYSA-N 1 0 311.338 1.107 20 5 DDBDRO COC(=O)[C@]12C[N@H+](Cc3c([N+](=O)[O-])ncn3C)C[C@H]1CCCC2 ZINC000375301358 307221123 /nfs/dbraw/zinc/22/11/23/307221123.db2.gz GDVZMTHEIRPOEZ-IAQYHMDHSA-N 1 0 322.365 1.494 20 5 DDBDRO [NH2+]=C(NO)[C@@H]1CCCCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000376084794 307238007 /nfs/dbraw/zinc/23/80/07/307238007.db2.gz QUGKJQIRZWOVHN-ZDUSSCGKSA-N 1 0 308.338 1.784 20 5 DDBDRO CCN(C(=O)[C@@H]1C[C@@H]1[N+](=O)[O-])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000376301693 307242593 /nfs/dbraw/zinc/24/25/93/307242593.db2.gz HTFUGVZZEAGRCO-OAGGEKHMSA-N 1 0 317.389 1.775 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000376570245 307248103 /nfs/dbraw/zinc/24/81/03/307248103.db2.gz SQIINZYZULKSMD-YPMHNXCESA-N 1 0 321.381 1.185 20 5 DDBDRO C[C@H](NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000378488373 307289186 /nfs/dbraw/zinc/28/91/86/307289186.db2.gz AUPCEZWOSJWTOI-ARLBYUKCSA-N 1 0 317.389 1.678 20 5 DDBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC[C@H]1C[NH2+]CCCO1 ZINC000390141850 307293551 /nfs/dbraw/zinc/29/35/51/307293551.db2.gz JPPMFZNPAQEMHY-BTKRWWFXSA-N 1 0 305.334 1.103 20 5 DDBDRO CN1CC[NH2+]C[C@H]1CNc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000394827529 307295727 /nfs/dbraw/zinc/29/57/27/307295727.db2.gz XWTLMQOEPRKGDJ-JTQLQIEISA-N 1 0 318.299 1.929 20 5 DDBDRO C[C@@H]1NC(=O)N(CC[N@H+](C)CCc2ccccc2[N+](=O)[O-])C1=O ZINC000459464523 307307471 /nfs/dbraw/zinc/30/74/71/307307471.db2.gz NJBXMIHBROHPPU-NSHDSACASA-N 1 0 320.349 1.009 20 5 DDBDRO Cc1c([C@H](C)[NH2+]C[C@H](C)S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000539047351 307679560 /nfs/dbraw/zinc/67/95/60/307679560.db2.gz PEFNNEURXLFUEA-ONGXEEELSA-N 1 0 300.380 1.987 20 5 DDBDRO [NH3+]Cc1nnnn1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000563078536 307953227 /nfs/dbraw/zinc/95/32/27/307953227.db2.gz DKGOJDBETCFWGL-UHFFFAOYSA-N 1 0 302.216 1.107 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@@H]2CCCCC[C@H]2O)c1 ZINC000565595820 308034097 /nfs/dbraw/zinc/03/40/97/308034097.db2.gz CHCHATKGCHCQRK-NUEKZKHPSA-N 1 0 324.377 1.618 20 5 DDBDRO O=C(c1ccc([N+](=O)[O-])cc1F)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000566562505 308056819 /nfs/dbraw/zinc/05/68/19/308056819.db2.gz OVYLPYOWHQLEPK-HNNXBMFYSA-N 1 0 307.325 1.950 20 5 DDBDRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000566850376 308065068 /nfs/dbraw/zinc/06/50/68/308065068.db2.gz SSUHJWKMYNWAIS-ONGXEEELSA-N 1 0 321.333 1.665 20 5 DDBDRO O=C(NCCC[NH2+]C1CC1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000567922411 308099815 /nfs/dbraw/zinc/09/98/15/308099815.db2.gz CCGSOSMOEDPJCP-UHFFFAOYSA-N 1 0 303.322 1.343 20 5 DDBDRO C[C@@H]1C[C@@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000574071321 308260394 /nfs/dbraw/zinc/26/03/94/308260394.db2.gz DUDVUWQXZFRZGB-AGIUHOORSA-N 1 0 310.350 1.492 20 5 DDBDRO CC[C@](C)(C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])OC ZINC000576150639 308292308 /nfs/dbraw/zinc/29/23/08/308292308.db2.gz WIKJJVHAMHLPCS-SWLSCSKDSA-N 1 0 312.366 1.739 20 5 DDBDRO COC1(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCCC1 ZINC000578006540 308429874 /nfs/dbraw/zinc/42/98/74/308429874.db2.gz ISOITSVKEVWHPJ-CQSZACIVSA-N 1 0 324.377 1.883 20 5 DDBDRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000579241155 308517569 /nfs/dbraw/zinc/51/75/69/308517569.db2.gz KKUIDAPDXIOKDW-UWVGGRQHSA-N 1 0 321.333 1.523 20 5 DDBDRO COc1cccc(C(=O)N2CCCC[C@H]2[C@H](C)[NH3+])c1[N+](=O)[O-] ZINC000580063571 308576795 /nfs/dbraw/zinc/57/67/95/308576795.db2.gz ODQDZGJOLWMZCI-JQWIXIFHSA-N 1 0 307.350 1.945 20 5 DDBDRO [NH3+]CC1CCN(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000580412177 308602103 /nfs/dbraw/zinc/60/21/03/308602103.db2.gz FBMOMUBTTKYYDK-UHFFFAOYSA-N 1 0 322.365 1.354 20 5 DDBDRO [NH3+]C[C@H]1CC[C@@H](NS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000382470127 325745966 /nfs/dbraw/zinc/74/59/66/325745966.db2.gz PFMWERURLARUIB-NWDGAFQWSA-N 1 0 313.379 1.142 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CC1=CCOCC1 ZINC000582482119 337096655 /nfs/dbraw/zinc/09/66/55/337096655.db2.gz UQFYYHLSHMRCCN-ZDUSSCGKSA-N 1 0 308.334 1.271 20 5 DDBDRO CC(C)[NH2+]CCCNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000036299724 337352804 /nfs/dbraw/zinc/35/28/04/337352804.db2.gz OKUFCDJSHBWVFO-UHFFFAOYSA-N 1 0 315.395 1.402 20 5 DDBDRO CSC[C@@H](C)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000583867011 337360944 /nfs/dbraw/zinc/36/09/44/337360944.db2.gz PCTUNPILACGAPF-ZYHUDNBSSA-N 1 0 300.380 1.676 20 5 DDBDRO C[C@H]1[C@@H](CO)CC[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000488727963 484215441 /nfs/dbraw/zinc/21/54/41/484215441.db2.gz WZZVIZLGSRHLMJ-WCQYABFASA-N 1 0 319.361 1.187 20 5 DDBDRO C[C@@H]1[C@H](CO)CC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000488736784 484217663 /nfs/dbraw/zinc/21/76/63/484217663.db2.gz QYWDMGOFQQFENW-AGIUHOORSA-N 1 0 310.350 1.037 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H](CO)[C@H]1C ZINC000488805473 484219159 /nfs/dbraw/zinc/21/91/59/484219159.db2.gz SUJWOHPLVDOQEA-CHWSQXEVSA-N 1 0 321.377 1.935 20 5 DDBDRO CC1(C)[C@H]([NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H]2CCO[C@@H]21 ZINC000296177539 490729039 /nfs/dbraw/zinc/72/90/39/490729039.db2.gz LFUOTXCCEZNVNU-BNOWGMLFSA-N 1 0 319.361 1.597 20 5 DDBDRO COC(=O)c1cc(NC(=O)[C@@H]2C[C@@H](C)CC[NH2+]2)cc([N+](=O)[O-])c1 ZINC000422998209 533883330 /nfs/dbraw/zinc/88/33/30/533883330.db2.gz CPCBBABHLKBHEW-ZANVPECISA-N 1 0 321.333 1.708 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000420270539 533931711 /nfs/dbraw/zinc/93/17/11/533931711.db2.gz ZEXKRFWJCDAWRQ-VXGBXAGGSA-N 1 0 319.361 1.736 20 5 DDBDRO C[C@H]1C[C@@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000330897378 534104704 /nfs/dbraw/zinc/10/47/04/534104704.db2.gz HLLLYKIXJRLJSP-RYUDHWBXSA-N 1 0 307.350 1.573 20 5 DDBDRO COC(=O)c1cnc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c([N+](=O)[O-])c1 ZINC000295969485 534306593 /nfs/dbraw/zinc/30/65/93/534306593.db2.gz KDRXKQKDHHUZJN-YOGCLGLASA-N 1 0 320.349 1.814 20 5 DDBDRO O=C(NCC[NH+]1CCCC1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000413059796 534327742 /nfs/dbraw/zinc/32/77/42/534327742.db2.gz HDVVXUZGARIGKI-LSDHHAIUSA-N 1 0 303.362 1.910 20 5 DDBDRO O=C(COc1cccc([N+](=O)[O-])c1)NCCC[C@H]1CCC[NH2+]1 ZINC000294733708 534631156 /nfs/dbraw/zinc/63/11/56/534631156.db2.gz BVRPIFRDFRCRBZ-GFCCVEGCSA-N 1 0 307.350 1.622 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000159360922 525455922 /nfs/dbraw/zinc/45/59/22/525455922.db2.gz ARTANICIKSIBLL-OAHLLOKOSA-N 1 0 305.334 1.429 20 5 DDBDRO CCO[C@@H]1COCC[C@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444680055 527775600 /nfs/dbraw/zinc/77/56/00/527775600.db2.gz CXSJKOHIEMCUQN-TZMCWYRMSA-N 1 0 320.349 1.755 20 5 DDBDRO CCOC(=O)[C@H]1NCC[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000422747686 528093043 /nfs/dbraw/zinc/09/30/43/528093043.db2.gz ZJJNHARPLCVGQU-KGLIPLIRSA-N 1 0 307.350 1.021 20 5 DDBDRO CC[NH+](CC)CCO[C@@H]1CCN(c2ncc([N+](=O)[O-])s2)C1 ZINC000443507631 528146110 /nfs/dbraw/zinc/14/61/10/528146110.db2.gz IHGZVVZRWWFYEA-LLVKDONJSA-N 1 0 314.411 1.988 20 5 DDBDRO CC(C)[C@@H]([NH3+])CNS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000420457379 528531819 /nfs/dbraw/zinc/53/18/19/528531819.db2.gz OMIIMIAMIQZSAB-LBPRGKRZSA-N 1 0 315.395 1.040 20 5 DDBDRO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000330930553 529091229 /nfs/dbraw/zinc/09/12/29/529091229.db2.gz PRPHRYSDOXCDLX-DGCLKSJQSA-N 1 0 323.397 1.371 20 5 DDBDRO CC[C@H]1[C@H](CO)CC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000451261678 529344232 /nfs/dbraw/zinc/34/42/32/529344232.db2.gz WDGFJIVZOJCWDU-WFASDCNBSA-N 1 0 321.377 1.935 20 5 DDBDRO CN(CC[NH+]1CCCC1)c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000736798651 598672524 /nfs/dbraw/zinc/67/25/24/598672524.db2.gz DVKHBHYBIPUZAY-UHFFFAOYSA-N 1 0 317.353 1.307 20 5 DDBDRO CN(C[C@H]1CC[N@H+](C)C1)c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000736847355 598797449 /nfs/dbraw/zinc/79/74/49/598797449.db2.gz GQTAKSLIKUUFFT-JTQLQIEISA-N 1 0 317.353 1.163 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C3CC3)CC2)cc1-c1nn[nH]n1 ZINC000826498978 607567626 /nfs/dbraw/zinc/56/76/26/607567626.db2.gz QTVDEDHKUFRJFX-UHFFFAOYSA-N 1 0 315.337 1.059 20 5 DDBDRO C[C@H]1[C@H](C)[N@H+](C)CCN1c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000824860826 608197063 /nfs/dbraw/zinc/19/70/63/608197063.db2.gz YAPUCZCGSRQXSM-UWVGGRQHSA-N 1 0 317.353 1.304 20 5 DDBDRO C[C@@H]1[C@H](C)N(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000824860831 608197125 /nfs/dbraw/zinc/19/71/25/608197125.db2.gz YAPUCZCGSRQXSM-ZJUUUORDSA-N 1 0 317.353 1.304 20 5 DDBDRO O=[N+]([O-])c1ccc(-c2noc(C[C@@H]3CSCC[NH2+]3)n2)cc1 ZINC000091128912 696585955 /nfs/dbraw/zinc/58/59/55/696585955.db2.gz SIZHONXOBFNRIL-SNVBAGLBSA-N 1 0 306.347 1.892 20 5 DDBDRO C[C@H](C(=O)OCCn1ccc([N+](=O)[O-])n1)[NH+]1[C@H](C)CC[C@H]1C ZINC000748128459 700101374 /nfs/dbraw/zinc/10/13/74/700101374.db2.gz IOIDTXMQJKHSHP-IJLUTSLNSA-N 1 0 310.354 1.596 20 5 DDBDRO C[C@]12CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@@]1(C)C[N@H+](CC1CCC1)C2 ZINC000982279023 697082318 /nfs/dbraw/zinc/08/23/18/697082318.db2.gz YKCVXAYAYUVIPL-SRABZTEZSA-N 1 0 321.421 1.622 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000748714372 700131923 /nfs/dbraw/zinc/13/19/23/700131923.db2.gz LLTOOUYKTQVEFI-LBPRGKRZSA-N 1 0 323.397 1.480 20 5 DDBDRO Cc1cc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)sn1 ZINC000983658218 697287155 /nfs/dbraw/zinc/28/71/55/697287155.db2.gz VJQHVQPPZSIVTE-FPQZTECRSA-N 1 0 324.406 1.101 20 5 DDBDRO O=[N+]([O-])c1ccc2c(cnn2CN2CC[C@@H]([NH+]3CC=CC3)C2)c1 ZINC000172932819 697373413 /nfs/dbraw/zinc/37/34/13/697373413.db2.gz ZUBIRGULHUCHQP-OAHLLOKOSA-N 1 0 313.361 1.848 20 5 DDBDRO Cc1cc(C(=O)NCC[N@H+]2CCC[C@H]2C)c(N)c([N+](=O)[O-])c1 ZINC000773195911 697726468 /nfs/dbraw/zinc/72/64/68/697726468.db2.gz BZXFWLJCBHRVEO-LLVKDONJSA-N 1 0 306.366 1.700 20 5 DDBDRO CCO[C@@H]1COCC[C@H]1[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000776484390 698109578 /nfs/dbraw/zinc/10/95/78/698109578.db2.gz GIVFMAMRGXXSAR-RBSFLKMASA-N 1 0 310.350 1.412 20 5 DDBDRO CC(C)N1CCO[C@H](C(=[NH2+])NOCc2cccc([N+](=O)[O-])c2)C1 ZINC000779648749 698448226 /nfs/dbraw/zinc/44/82/26/698448226.db2.gz GGICMERNCUHXLV-AWEZNQCLSA-N 1 0 322.365 1.702 20 5 DDBDRO CCn1cnnc1CC[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788641825 699329608 /nfs/dbraw/zinc/32/96/08/699329608.db2.gz FLFINZJLRBAQIT-JTQLQIEISA-N 1 0 304.354 1.682 20 5 DDBDRO C[C@H](CN1CCOCC1)[N@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000789334032 699377737 /nfs/dbraw/zinc/37/77/37/699377737.db2.gz FUTRFFVAIWCMTP-CJNGLKHVSA-N 1 0 323.393 1.281 20 5 DDBDRO CN(C[C@H]1CCC[N@H+](CC[N+](=O)[O-])C1)C(=O)OC(C)(C)C ZINC000791052053 699608922 /nfs/dbraw/zinc/60/89/22/699608922.db2.gz KKBYPSYKQSPQGV-GFCCVEGCSA-N 1 0 301.387 1.842 20 5 DDBDRO CN(C[C@@H]1CCOC1)Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000794633934 699820043 /nfs/dbraw/zinc/82/00/43/699820043.db2.gz XDTSYDQGGBJXPE-JTQLQIEISA-N 1 0 307.306 1.429 20 5 DDBDRO CS[C@@H]1CN(c2nc3ccccn3c2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000759277647 700744579 /nfs/dbraw/zinc/74/45/79/700744579.db2.gz HLVMYFWOYRETPI-WDEREUQCSA-N 1 0 321.406 1.724 20 5 DDBDRO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[C@@H](C)CN1C ZINC000768845675 701209281 /nfs/dbraw/zinc/20/92/81/701209281.db2.gz MWOLEGWUPHMAAY-UWVGGRQHSA-N 1 0 322.321 1.668 20 5 DDBDRO O=C(C[NH2+][C@H](CCO)C1CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000771802011 701331324 /nfs/dbraw/zinc/33/13/24/701331324.db2.gz VKCLZVKHGJLORW-CQSZACIVSA-N 1 0 319.361 1.235 20 5 DDBDRO C[C@@H](C[NH+](C)C)NC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000805423312 701380894 /nfs/dbraw/zinc/38/08/94/701380894.db2.gz RCYYHRCSSPORBJ-JTQLQIEISA-N 1 0 324.337 1.502 20 5 DDBDRO Cc1nn(C[N@@H+]2CC[C@@H](CC(N)=O)C2)c2ccc([N+](=O)[O-])cc12 ZINC000808228547 701509589 /nfs/dbraw/zinc/50/95/89/701509589.db2.gz UJQJWKNSMJSNOM-NSHDSACASA-N 1 0 317.349 1.408 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH+]2CCC3(CC2)OCCCO3)cc1 ZINC000815155454 701817423 /nfs/dbraw/zinc/81/74/23/701817423.db2.gz PSGNMDMGLAJNMH-HNNXBMFYSA-N 1 0 322.361 1.857 20 5 DDBDRO COC(=O)[C@H]1CN(c2ccc([N+](=O)[O-])cc2F)CC[N@H+](C)C1 ZINC000840358617 702082708 /nfs/dbraw/zinc/08/27/08/702082708.db2.gz CLUYPZUTCOJTAQ-SNVBAGLBSA-N 1 0 311.313 1.275 20 5 DDBDRO CC[C@@H]([NH3+])CNC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000841256129 702404641 /nfs/dbraw/zinc/40/46/41/702404641.db2.gz FTFRCDLTRMSLAQ-SSDOTTSWSA-N 1 0 314.729 1.040 20 5 DDBDRO C[C@@H]1C[C@H](C)N(C(=O)c2cc([N+](=O)[O-])ccc2N)C[C@@H]1C[NH3+] ZINC000818024120 702557115 /nfs/dbraw/zinc/55/71/15/702557115.db2.gz MLHOLUDKFZECFU-VWYCJHECSA-N 1 0 306.366 1.622 20 5 DDBDRO COCC(COC)[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866367886 706682848 /nfs/dbraw/zinc/68/28/48/706682848.db2.gz QSJPPZGKJOBGJQ-JTQLQIEISA-N 1 0 300.330 1.916 20 5 DDBDRO C[C@H]1CC2(CN1C(=O)c1ccc(N)c([N+](=O)[O-])c1)CC[NH2+]CC2 ZINC000818290357 702624949 /nfs/dbraw/zinc/62/49/49/702624949.db2.gz HCTJEJNPWMNFDG-NSHDSACASA-N 1 0 318.377 1.781 20 5 DDBDRO Cc1cc(Cl)c(S(=O)(=O)N[C@@H](C)CC[NH3+])cc1[N+](=O)[O-] ZINC000842791026 702774225 /nfs/dbraw/zinc/77/42/25/702774225.db2.gz QILXJCIDYHJZPS-QMMMGPOBSA-N 1 0 321.786 1.572 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@@H]2CCCCN2CCO)c1 ZINC000843092763 702817628 /nfs/dbraw/zinc/81/76/28/702817628.db2.gz KSVAURCNLAHBQQ-JKSUJKDBSA-N 1 0 323.393 1.065 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(Cc2noc([C@H]3C[C@@H]([NH3+])C3)n2)c1 ZINC000843222733 702845163 /nfs/dbraw/zinc/84/51/63/702845163.db2.gz JGKILLHIGCLHGN-AOOOYVTPSA-N 1 0 304.306 1.782 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)NC2CCC([NH3+])CC2)cc1[N+](=O)[O-] ZINC000843325380 702859716 /nfs/dbraw/zinc/85/97/16/702859716.db2.gz JFVKXQKXNGEHHU-UHFFFAOYSA-N 1 0 322.321 1.811 20 5 DDBDRO [NH3+]C1(CNCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CCC1 ZINC000843367314 702867556 /nfs/dbraw/zinc/86/75/56/702867556.db2.gz FEEARGAFCQHLND-UHFFFAOYSA-N 1 0 312.757 1.658 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N[C@H]2CCC[NH2+][C@H]2C)cc1[N+](=O)[O-] ZINC000843471761 702888369 /nfs/dbraw/zinc/88/83/69/702888369.db2.gz MJIPIAUTVNBEDP-ONGXEEELSA-N 1 0 322.321 1.682 20 5 DDBDRO C[NH+]1CCC(ONC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1 ZINC000846646385 703306983 /nfs/dbraw/zinc/30/69/83/703306983.db2.gz BZDYYZLYAPHFDW-UHFFFAOYSA-N 1 0 318.333 1.832 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1-c1noc([C@@H]2C[C@]23CCC[NH2+]C3)n1 ZINC000848629274 703570170 /nfs/dbraw/zinc/57/01/70/703570170.db2.gz YQTXUWDKRXXWAR-SDBXPKJASA-N 1 0 304.310 1.235 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1-c1noc([C@H]2C[C@]23CCC[NH2+]C3)n1 ZINC000848629273 703570281 /nfs/dbraw/zinc/57/02/81/703570281.db2.gz YQTXUWDKRXXWAR-OQPBUACISA-N 1 0 304.310 1.235 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CCO[C@@H]2CC2(F)F)cc1 ZINC000849326061 703635649 /nfs/dbraw/zinc/63/56/49/703635649.db2.gz BLVAWKPKDFKJSQ-NWDGAFQWSA-N 1 0 302.277 1.642 20 5 DDBDRO Cc1c(C(=O)N(C)C2(C[NH3+])CCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000818597678 703935170 /nfs/dbraw/zinc/93/51/70/703935170.db2.gz XXXFBOJMSUOAJE-UHFFFAOYSA-N 1 0 322.321 1.765 20 5 DDBDRO Cc1nccn1CCC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000818968384 704037682 /nfs/dbraw/zinc/03/76/82/704037682.db2.gz SEXAPIBDAFGLJA-OAHLLOKOSA-N 1 0 304.350 1.813 20 5 DDBDRO O=C1OCCN1[C@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000852434048 704047665 /nfs/dbraw/zinc/04/76/65/704047665.db2.gz WGMHUDIGWSHXEX-ZDUSSCGKSA-N 1 0 321.333 1.500 20 5 DDBDRO O=C1CCCCN1CCC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819029147 704054989 /nfs/dbraw/zinc/05/49/89/704054989.db2.gz PBSWYQJFRVWDMH-HNNXBMFYSA-N 1 0 321.377 1.620 20 5 DDBDRO O=[N+]([O-])c1ccccc1CC[NH2+]C[C@@H](O)c1ccc(F)cn1 ZINC000819110578 704071011 /nfs/dbraw/zinc/07/10/11/704071011.db2.gz DTSYFYYJWVPNSI-OAHLLOKOSA-N 1 0 305.309 1.995 20 5 DDBDRO CN(C[C@H]1CCCO1)Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853497002 704250516 /nfs/dbraw/zinc/25/05/16/704250516.db2.gz NQWBNRWQEUNEMW-GFCCVEGCSA-N 1 0 317.349 1.922 20 5 DDBDRO COC[C@@H]1CCN(Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)C1 ZINC000853497812 704250665 /nfs/dbraw/zinc/25/06/65/704250665.db2.gz GQFLASLLXSYOPD-GFCCVEGCSA-N 1 0 317.349 1.779 20 5 DDBDRO Cc1nn(CN(C)CC2C[NH+](C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000853553684 704267326 /nfs/dbraw/zinc/26/73/26/704267326.db2.gz RVEODVHMLVNSRC-UHFFFAOYSA-N 1 0 303.366 1.704 20 5 DDBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000820502654 704291073 /nfs/dbraw/zinc/29/10/73/704291073.db2.gz BEJVOKYTSMJXLK-FZMZJTMJSA-N 1 0 320.393 1.825 20 5 DDBDRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1cc([N+](=O)[O-])ccc1N)C2 ZINC000854735266 704445804 /nfs/dbraw/zinc/44/58/04/704445804.db2.gz MJGUTCKTAPAYMQ-INIZCTEOSA-N 1 0 318.377 1.735 20 5 DDBDRO CN(C)c1cc(F)c(C(=O)NC2CC([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000857228408 704566535 /nfs/dbraw/zinc/56/65/35/704566535.db2.gz MIYMIHRMFKUFOD-UHFFFAOYSA-N 1 0 324.356 1.622 20 5 DDBDRO CC(C)(C[NH3+])NC(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857764024 704621576 /nfs/dbraw/zinc/62/15/76/704621576.db2.gz FFINVKYSQGECLH-UHFFFAOYSA-N 1 0 303.265 1.420 20 5 DDBDRO C[NH2+][C@H]1CCN(C(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000857762915 704621728 /nfs/dbraw/zinc/62/17/28/704621728.db2.gz IEDWYSPQDRFZAN-VIFPVBQESA-N 1 0 315.276 1.387 20 5 DDBDRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000832489650 706924951 /nfs/dbraw/zinc/92/49/51/706924951.db2.gz AIRDEWYVHGMZKV-MCIONIFRSA-N 1 0 307.350 1.227 20 5 DDBDRO CC[C@@H]1[NH2+]CC[C@H]1NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000858624302 704736359 /nfs/dbraw/zinc/73/63/59/704736359.db2.gz DFNFKTGNMOBRBO-VHSXEESVSA-N 1 0 317.342 1.153 20 5 DDBDRO O=[N+]([O-])c1ccc(Cc2noc([C@@H]3C[C@@]34CC[NH2+]C4)n2)nc1 ZINC000822862388 705063247 /nfs/dbraw/zinc/06/32/47/705063247.db2.gz ILPPFYHVCITXAH-SMDDNHRTSA-N 1 0 301.306 1.431 20 5 DDBDRO C[NH+](C)C1(CNC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC000822932077 705085731 /nfs/dbraw/zinc/08/57/31/705085731.db2.gz RIYNAAPMPJZSAJ-ZIAGYGMSSA-N 1 0 303.362 1.909 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1-c1noc([C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)n1 ZINC000823089790 705135814 /nfs/dbraw/zinc/13/58/14/705135814.db2.gz YEGQGTHUSLYRQZ-AEJSXWLSSA-N 1 0 318.337 1.972 20 5 DDBDRO Cc1c(Cc2nc(N3CC[NH2+]CC3)no2)cccc1[N+](=O)[O-] ZINC000823335800 705211280 /nfs/dbraw/zinc/21/12/80/705211280.db2.gz YFCBXVBXFXOLAW-UHFFFAOYSA-N 1 0 303.322 1.287 20 5 DDBDRO C[NH+]1CCC(CNC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000823993438 705350665 /nfs/dbraw/zinc/35/06/65/705350665.db2.gz FRZZWAAAZNEPFO-UHFFFAOYSA-N 1 0 307.354 1.640 20 5 DDBDRO O=C(NC1CC[NH+](C2CC2)CC1)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000824202097 705398209 /nfs/dbraw/zinc/39/82/09/705398209.db2.gz GFYCJFAGXKXCMP-HNNXBMFYSA-N 1 0 319.361 1.371 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000824300614 705421418 /nfs/dbraw/zinc/42/14/18/705421418.db2.gz DGWBFDWTQAFYSY-QWHCGFSZSA-N 1 0 319.361 1.103 20 5 DDBDRO CC1(C)C[NH2+]CC[C@@H]1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000825158528 705611774 /nfs/dbraw/zinc/61/17/74/705611774.db2.gz OMPQVBUDGJYYFU-LBPRGKRZSA-N 1 0 322.321 1.621 20 5 DDBDRO CN(CC[N@H+](C)CCO)C(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000825526991 705687861 /nfs/dbraw/zinc/68/78/61/705687861.db2.gz KVCMCOYSMUXBHL-CABCVRRESA-N 1 0 321.377 1.081 20 5 DDBDRO CC[C@H](C)[N@H+](C)CCNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825615414 705703273 /nfs/dbraw/zinc/70/32/73/705703273.db2.gz VOVQYDSIGGGLGZ-SMDDNHRTSA-N 1 0 309.366 1.475 20 5 DDBDRO Cc1ccc(CNC(=O)[C@@H](C)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000825648692 705708777 /nfs/dbraw/zinc/70/87/77/705708777.db2.gz XYHKTXNWXSOWTQ-ZDUSSCGKSA-N 1 0 321.377 1.488 20 5 DDBDRO C[N@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@]1(CO)CCOC1 ZINC000862427152 705715749 /nfs/dbraw/zinc/71/57/49/705715749.db2.gz UZLWNAXXOJFZCX-ZDUSSCGKSA-N 1 0 300.742 1.831 20 5 DDBDRO C[NH2+]CCN(C)C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1 ZINC000876791842 705878375 /nfs/dbraw/zinc/87/83/75/705878375.db2.gz PWGRQMGTVMZQJR-UHFFFAOYSA-N 1 0 321.312 1.211 20 5 DDBDRO C[N@@H+]1CC[C@H]2CN(C(=O)c3cc(F)cc([N+](=O)[O-])c3N)CC[C@H]21 ZINC000827338034 705979514 /nfs/dbraw/zinc/97/95/14/705979514.db2.gz NADCRRXYAWFPCD-JOYOIKCWSA-N 1 0 322.340 1.482 20 5 DDBDRO C[C@@H]([NH3+])CN(C)C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000877101986 705984336 /nfs/dbraw/zinc/98/43/36/705984336.db2.gz WJYITAILENARNJ-SSDOTTSWSA-N 1 0 316.155 1.777 20 5 DDBDRO CCOC(=O)[C@@H](C)[C@H](C)[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877322732 706063538 /nfs/dbraw/zinc/06/35/38/706063538.db2.gz COPJZWXTCKFCKO-JYBOHDQNSA-N 1 0 310.354 1.672 20 5 DDBDRO CCOC(=O)[C@@H](C)C1CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000871993205 707272189 /nfs/dbraw/zinc/27/21/89/707272189.db2.gz MQTQIZYNXVNXQL-NHYWBVRUSA-N 1 0 322.361 1.759 20 5 DDBDRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)Cc1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000877376644 706086270 /nfs/dbraw/zinc/08/62/70/706086270.db2.gz KUPMQCMLPRHFRQ-XHDPSFHLSA-N 1 0 323.780 1.859 20 5 DDBDRO O=C(COc1cccc([N+](=O)[O-])c1)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000877395627 706094696 /nfs/dbraw/zinc/09/46/96/706094696.db2.gz LMSNLQGQJMCZRJ-ZFWWWQNUSA-N 1 0 305.334 1.374 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])c(=O)n(CCCCCCC[NH3+])c1 ZINC000830316084 706494915 /nfs/dbraw/zinc/49/49/15/706494915.db2.gz DCPPRQBWXUMTLT-UHFFFAOYSA-N 1 0 311.338 1.452 20 5 DDBDRO C[C@@]1(C(F)(F)F)CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000880001600 706850187 /nfs/dbraw/zinc/85/01/87/706850187.db2.gz RCJQICRFJDBYKI-WDEREUQCSA-N 1 0 322.287 1.427 20 5 DDBDRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000880137800 706887832 /nfs/dbraw/zinc/88/78/32/706887832.db2.gz KVMDWBWLQJUECK-OAGGEKHMSA-N 1 0 305.378 1.797 20 5 DDBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC[C@@H]1CNC(=O)C1 ZINC000926976364 712925406 /nfs/dbraw/zinc/92/54/06/712925406.db2.gz CFJKBMCQVKRXMT-MNOVXSKESA-N 1 0 309.341 1.781 20 5 DDBDRO C[C@H](CCCC[NH3+])NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000834791397 707119236 /nfs/dbraw/zinc/11/92/36/707119236.db2.gz IRHNBFSPCHIYGU-LLVKDONJSA-N 1 0 319.365 1.578 20 5 DDBDRO C[NH2+]C(C)(C)CNc1ccc([N+](=O)[O-])cc1C(=O)NC1CC1 ZINC000882125409 707508312 /nfs/dbraw/zinc/50/83/12/707508312.db2.gz GUZQPSWGUYNIOQ-UHFFFAOYSA-N 1 0 306.366 1.897 20 5 DDBDRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2c1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000872778802 707596813 /nfs/dbraw/zinc/59/68/13/707596813.db2.gz BWLWHGHHTQWBSK-NWDGAFQWSA-N 1 0 304.350 1.367 20 5 DDBDRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000872781507 707597409 /nfs/dbraw/zinc/59/74/09/707597409.db2.gz UQKWXPOCQJOZJA-WDEREUQCSA-N 1 0 302.338 1.310 20 5 DDBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000882485911 707657183 /nfs/dbraw/zinc/65/71/83/707657183.db2.gz MHJSAEHKBLOMNM-SNVBAGLBSA-N 1 0 311.313 1.323 20 5 DDBDRO CC1([NH+]2CCC2)CCN(c2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000882963536 707875889 /nfs/dbraw/zinc/87/58/89/707875889.db2.gz BLIZKJRUQTXYLS-UHFFFAOYSA-N 1 0 316.365 1.702 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC(C)([NH+]2CCC2)CC1 ZINC000883152914 707942398 /nfs/dbraw/zinc/94/23/98/707942398.db2.gz LSKJDNBCODBTFJ-UHFFFAOYSA-N 1 0 306.366 1.634 20 5 DDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]CC3CC4(C3)OCCO4)C2)c1 ZINC000896908813 708178865 /nfs/dbraw/zinc/17/88/65/708178865.db2.gz HYAFSDCTYLDWNW-UHFFFAOYSA-N 1 0 308.338 1.238 20 5 DDBDRO C[NH2+]CCCN(C)C(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000884343650 708254621 /nfs/dbraw/zinc/25/46/21/708254621.db2.gz HCWBAKKURHTOSK-UHFFFAOYSA-N 1 0 323.349 1.438 20 5 DDBDRO Cc1nc(N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)ccc1[N+](=O)[O-] ZINC000897221121 708258795 /nfs/dbraw/zinc/25/87/95/708258795.db2.gz HLOXKMMTJRIJSF-UONOGXRCSA-N 1 0 306.366 1.334 20 5 DDBDRO C[N@@H+]1C[C@@H]2CN(C(=O)COc3cccc([N+](=O)[O-])c3)C[C@]2(C)C1 ZINC000887936700 709172118 /nfs/dbraw/zinc/17/21/18/709172118.db2.gz TWHBOSVHQYFGFA-WBMJQRKESA-N 1 0 319.361 1.384 20 5 DDBDRO Cc1cc(C(=O)N2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)ccc1[N+](=O)[O-] ZINC000887939151 709173402 /nfs/dbraw/zinc/17/34/02/709173402.db2.gz QRCLUURYFJAQMU-CJNGLKHVSA-N 1 0 303.362 1.927 20 5 DDBDRO CCc1n[nH]c(C(=O)N2CCC([NH+]3CCC3)CC2)c1[N+](=O)[O-] ZINC000912879566 713113259 /nfs/dbraw/zinc/11/32/59/713113259.db2.gz HLHMRNIRLWDOFW-UHFFFAOYSA-N 1 0 307.354 1.191 20 5 DDBDRO COc1cc(C(=O)N2CC[C@@H]([NH+]3CCC3)C2)c([N+](=O)[O-])cc1F ZINC000912904975 713119878 /nfs/dbraw/zinc/11/98/78/713119878.db2.gz WUQVBBSYTTXEHD-SNVBAGLBSA-N 1 0 323.324 1.663 20 5 DDBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912914490 713122498 /nfs/dbraw/zinc/12/24/98/713122498.db2.gz BHMPVTYMQDBCAY-HNNXBMFYSA-N 1 0 303.362 1.834 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)CC(C)(C)C[NH+](C)C ZINC000890885908 710021374 /nfs/dbraw/zinc/02/13/74/710021374.db2.gz KVNJPTXVWXBEAC-UHFFFAOYSA-N 1 0 308.382 1.958 20 5 DDBDRO CS[C@@H]1CN(c2c([N+](=O)[O-])cnn2C)C[C@H]1[NH+]1CCCC1 ZINC000893249129 710579466 /nfs/dbraw/zinc/57/94/66/710579466.db2.gz PYHLFTOZPVHTEE-VXGBXAGGSA-N 1 0 311.411 1.344 20 5 DDBDRO COc1cc(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2C)c([N+](=O)[O-])cc1F ZINC000928431794 713192939 /nfs/dbraw/zinc/19/29/39/713192939.db2.gz HAPXCSUVRZWZBK-GZMMTYOYSA-N 1 0 311.313 1.565 20 5 DDBDRO C[C@@H]1C[N@H+](CCCOC(=O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000893392681 710633749 /nfs/dbraw/zinc/63/37/49/710633749.db2.gz HTXZALWVBPFFOU-GFCCVEGCSA-N 1 0 308.334 1.862 20 5 DDBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902467822 710762740 /nfs/dbraw/zinc/76/27/40/710762740.db2.gz QJEQEYMUXBEIBN-DZGBDDFRSA-N 1 0 318.377 1.794 20 5 DDBDRO COc1cc([C@@H](C)[NH2+]C[C@@H]2COCCN2C)cc([N+](=O)[O-])c1 ZINC000903205856 711064058 /nfs/dbraw/zinc/06/40/58/711064058.db2.gz GHJGRCVSMAXDFW-BXUZGUMPSA-N 1 0 309.366 1.585 20 5 DDBDRO C[NH+]1CCC(N(CCO)C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000911939486 711079079 /nfs/dbraw/zinc/07/90/79/711079079.db2.gz UQTKWEAIDVKCAR-UHFFFAOYSA-N 1 0 321.377 1.052 20 5 DDBDRO Cc1nc(NC(=O)COC2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000903817795 711290566 /nfs/dbraw/zinc/29/05/66/711290566.db2.gz JLIJFXWMNGBIQW-UHFFFAOYSA-N 1 0 308.338 1.348 20 5 DDBDRO C[NH+](C)C[C@@]1(O)CCN(c2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC000895010644 711366616 /nfs/dbraw/zinc/36/66/16/711366616.db2.gz UMGKYMMGSMRQGX-INIZCTEOSA-N 1 0 316.361 1.646 20 5 DDBDRO COC[C@H]1C[NH2+]CCN1C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000904272581 711421905 /nfs/dbraw/zinc/42/19/05/711421905.db2.gz HJOJUJPDDVTNBL-GFCCVEGCSA-N 1 0 308.338 1.355 20 5 DDBDRO O=c1[nH]ccc(N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)c1[N+](=O)[O-] ZINC000895570435 711545548 /nfs/dbraw/zinc/54/55/48/711545548.db2.gz SYKVXOBFCDZVIF-MWLCHTKSSA-N 1 0 310.379 1.687 20 5 DDBDRO C[C@H]1[C@@H](Nc2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)CC[N@@H+]1C ZINC000895737460 711590866 /nfs/dbraw/zinc/59/08/66/711590866.db2.gz VRHXZQUCZAELLD-UWVGGRQHSA-N 1 0 319.365 1.290 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H]2C[C@@H]2c2nc(N3CC[NH2+]CC3)no2)c1 ZINC000904740938 711888493 /nfs/dbraw/zinc/88/84/93/711888493.db2.gz QNVCUTAYSAYFCN-OLZOCXBDSA-N 1 0 315.333 1.659 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CCc2ccns2)c1 ZINC000905416450 712032598 /nfs/dbraw/zinc/03/25/98/712032598.db2.gz AZWJRSKZZMEVDC-GFCCVEGCSA-N 1 0 323.374 1.623 20 5 DDBDRO O=C(NCC1CC[NH2+]CC1)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000906626971 712373731 /nfs/dbraw/zinc/37/37/31/712373731.db2.gz IJFMKSZEEBREOP-HUUCEWRRSA-N 1 0 303.362 1.814 20 5 DDBDRO C[NH+](C)C1(CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000914325294 713378793 /nfs/dbraw/zinc/37/87/93/713378793.db2.gz GJVDRDZJFFUNBA-UHFFFAOYSA-N 1 0 306.366 1.531 20 5 DDBDRO C[NH+](C)C1(CNC(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000917788948 713514033 /nfs/dbraw/zinc/51/40/33/713514033.db2.gz ITSXSUHWUZJOIS-UHFFFAOYSA-N 1 0 322.365 1.367 20 5 DDBDRO C[NH+]1CCC(NC(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC000929435158 713609498 /nfs/dbraw/zinc/60/94/98/713609498.db2.gz BHWPERJRJJPBON-CABCVRRESA-N 1 0 303.362 1.909 20 5 DDBDRO O=[N+]([O-])CCN1CCO[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]21 ZINC000930849528 713937064 /nfs/dbraw/zinc/93/70/64/713937064.db2.gz NISJLVXVZGMSAN-HZPDHXFCSA-N 1 0 305.378 1.238 20 5 DDBDRO C[NH2+]C[C@@H]1CCCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000923281111 714295825 /nfs/dbraw/zinc/29/58/25/714295825.db2.gz DTGMELIDBOCADU-DZGCQCFKSA-N 1 0 323.393 1.266 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CC[C@]2(CC[NH2+]C2)C1 ZINC000923330996 714317582 /nfs/dbraw/zinc/31/75/82/714317582.db2.gz FFFHOWRLNVERBK-BBRMVZONSA-N 1 0 321.377 1.020 20 5 DDBDRO C[C@@H]1CN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@@H](C)C[NH2+]1 ZINC000923362859 714327780 /nfs/dbraw/zinc/32/77/80/714327780.db2.gz YTOFRACNBKUHFQ-FRRDWIJNSA-N 1 0 309.366 1.017 20 5 DDBDRO CCC1(CC)CNC(=O)[C@H]1NCc1cc([N+](=O)[O-])ccc1OC ZINC000933281618 714553676 /nfs/dbraw/zinc/55/36/76/714553676.db2.gz HUHKYWINLXBAIS-CQSZACIVSA-N 1 0 321.377 1.998 20 5 DDBDRO CCOc1cc(-n2c(C)ncc(C[NH3+])c2=N)ccc1[N+](=O)[O-] ZINC001167677258 735425080 /nfs/dbraw/zinc/42/50/80/735425080.db2.gz MEUGMJQHDYRIBV-UHFFFAOYSA-N 1 0 303.322 1.426 20 5 DDBDRO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3cc(F)cc([N+](=O)[O-])c3)[C@@H]2C1 ZINC001121199294 782406198 /nfs/dbraw/zinc/40/61/98/782406198.db2.gz NWIVISKYVGODAB-FZZIBODNSA-N 1 0 307.325 1.804 20 5 DDBDRO Cc1ncc(C[NH3+])c(=N)n1-c1ncc(C(C)(C)C)cc1[N+](=O)[O-] ZINC001167671728 735155690 /nfs/dbraw/zinc/15/56/90/735155690.db2.gz AQYPUDVSYJWWTO-UHFFFAOYSA-N 1 0 316.365 1.720 20 5 DDBDRO COC(=O)[C@@H](CCC[NH3+])Nc1cc(F)c(OC)cc1[N+](=O)[O-] ZINC001167899405 739209717 /nfs/dbraw/zinc/20/97/17/739209717.db2.gz LJRAOWTXFZMQNJ-SECBINFHSA-N 1 0 315.301 1.435 20 5 DDBDRO O=C(NCC[NH2+]Cc1sccc1Cl)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126932255 742776479 /nfs/dbraw/zinc/77/64/79/742776479.db2.gz ONYMGCCXWAUDFM-VXNVDRBHSA-N 1 0 303.771 1.273 20 5 DDBDRO Cc1nc(NC2CC[NH+](C[C@H]3CCOC3)CC2)ncc1[N+](=O)[O-] ZINC001185429912 744221168 /nfs/dbraw/zinc/22/11/68/744221168.db2.gz NXQJYYBUDBXTQD-GFCCVEGCSA-N 1 0 321.381 1.606 20 5 DDBDRO CC[C@@H]([NH2+]C[C@@H](O)C[C@@]1(O)CCOC1)c1cccc([N+](=O)[O-])c1 ZINC001192814708 745902925 /nfs/dbraw/zinc/90/29/25/745902925.db2.gz YBNVOWIYDOUCGU-XHSDSOJGSA-N 1 0 324.377 1.538 20 5 DDBDRO CCN(CCNc1ccc([N+](=O)[O-])cc1)C(=O)C[NH+]1CCCC1 ZINC001106777111 746059259 /nfs/dbraw/zinc/05/92/59/746059259.db2.gz KQHFLGKVVZXFBA-UHFFFAOYSA-N 1 0 320.393 1.951 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@H]([C@H]2CCCO2)C2(CO)CCC2)c1 ZINC001195580123 746645810 /nfs/dbraw/zinc/64/58/10/746645810.db2.gz ZXGYBQBHRHSLRT-ZIAGYGMSSA-N 1 0 324.381 1.091 20 5 DDBDRO CCN(CCNc1nc(C)ccc1[N+](=O)[O-])C(=O)CC[NH+](C)C ZINC001106946842 748217641 /nfs/dbraw/zinc/21/76/41/748217641.db2.gz SIINPDMGLCBRBW-UHFFFAOYSA-N 1 0 323.397 1.510 20 5 DDBDRO CN1CCN(C(=[NH2+])Nc2ccc([N+](=O)[O-])c3cnccc23)CC1 ZINC001168736992 748488265 /nfs/dbraw/zinc/48/82/65/748488265.db2.gz NABCVERLRKUESV-UHFFFAOYSA-N 1 0 314.349 1.737 20 5 DDBDRO Cc1nn(C)cc1C(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001124967342 748722865 /nfs/dbraw/zinc/72/28/65/748722865.db2.gz JKTRCQVZYDXUFT-UHFFFAOYSA-N 1 0 317.349 1.156 20 5 DDBDRO COc1cc([N+](=O)[O-])cnc1-n1cnc(C)c1CSCC[NH3+] ZINC001168785130 761947351 /nfs/dbraw/zinc/94/73/51/761947351.db2.gz UGPJLOMHBLULDO-UHFFFAOYSA-N 1 0 323.378 1.684 20 5 DDBDRO Cc1cc(NC/C=C\CNC(=O)CC[NH+](C)C)ccc1[N+](=O)[O-] ZINC001107489354 750045633 /nfs/dbraw/zinc/04/56/33/750045633.db2.gz CONXOKXWWUUKSV-PLNGDYQASA-N 1 0 320.393 1.939 20 5 DDBDRO [NH3+][C@@H]1CCc2nn(-c3ncc4cccc([N+](=O)[O-])c4n3)cc2C1 ZINC001168816419 762027763 /nfs/dbraw/zinc/02/77/63/762027763.db2.gz QAHXMSDAERJJMX-LLVKDONJSA-N 1 0 310.317 1.540 20 5 DDBDRO CC(=O)NCC[NH+]1CCC(Nc2ncc(C)cc2[N+](=O)[O-])CC1 ZINC001111309056 750442237 /nfs/dbraw/zinc/44/22/37/750442237.db2.gz BADZEVZFRKMQTR-UHFFFAOYSA-N 1 0 321.381 1.311 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H](CO)COCc2ccccc2)C1 ZINC001168979813 762147343 /nfs/dbraw/zinc/14/73/43/762147343.db2.gz BIXWAXXXAQIXBA-PMPSAXMXSA-N 1 0 308.378 1.599 20 5 DDBDRO O=C1Nc2ccccc2CC[C@@H]1[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168984362 762152250 /nfs/dbraw/zinc/15/22/50/762152250.db2.gz MKKWKUYFDPKKQT-KYOSRNDESA-N 1 0 303.362 1.975 20 5 DDBDRO COc1cc(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)cc(OC)c1O ZINC001168985018 762152259 /nfs/dbraw/zinc/15/22/59/762152259.db2.gz CAFYUWMWRBTVCN-PWSUYJOCSA-N 1 0 310.350 1.944 20 5 DDBDRO CCOC(=O)[C@@H]1CC[C@H](O)[C@@H]([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169006501 762174839 /nfs/dbraw/zinc/17/48/39/762174839.db2.gz YFACHPDIDSYGDL-DGTMBMJNSA-N 1 0 314.382 1.114 20 5 DDBDRO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169007210 762175021 /nfs/dbraw/zinc/17/50/21/762175021.db2.gz LWUCKTKQSZHBRU-BARDWOONSA-N 1 0 317.389 1.713 20 5 DDBDRO Cc1cccnc1N1CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169007691 762176136 /nfs/dbraw/zinc/17/61/36/762176136.db2.gz PIQYGCIGWSFKDT-CABCVRRESA-N 1 0 304.394 1.957 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCOC[C@@](O)(C(F)(F)F)C2)C1 ZINC001169014420 762178994 /nfs/dbraw/zinc/17/89/94/762178994.db2.gz ZLZOUOGVAZSCLT-OUAUKWLOSA-N 1 0 312.288 1.057 20 5 DDBDRO CCOC(=O)c1cccc([N+](=O)[O-])c1-n1nc(CC[NH3+])nc1C ZINC001168987023 762179776 /nfs/dbraw/zinc/17/97/76/762179776.db2.gz ALFBQDKHUKGBSL-UHFFFAOYSA-N 1 0 319.321 1.162 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2-n2cnnn2)C1 ZINC001168989842 762181600 /nfs/dbraw/zinc/18/16/00/762181600.db2.gz XAOBDNJLXRTTES-DGCLKSJQSA-N 1 0 302.338 1.197 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCN(CCc3ccncc3)CC2)C1 ZINC001169030246 762186209 /nfs/dbraw/zinc/18/62/09/762186209.db2.gz XHQLMKDKPBVSFI-SJORKVTESA-N 1 0 318.421 1.687 20 5 DDBDRO O=C1[C@H]2C[N@H+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@H]2CN1CC1CC1 ZINC001169025218 762203552 /nfs/dbraw/zinc/20/35/52/762203552.db2.gz YDZUWGPWPFHOBM-AJNGGQMLSA-N 1 0 307.394 1.232 20 5 DDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2CC[C@@H](N3CCOCC3)[C@@H](F)C2)C1 ZINC001169055293 762210091 /nfs/dbraw/zinc/21/00/91/762210091.db2.gz PBRGGDSERKFASP-LJISPDSOSA-N 1 0 315.389 1.176 20 5 DDBDRO O=C(N[C@@H]1CCC[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1)C1CCC1 ZINC001169057441 762210829 /nfs/dbraw/zinc/21/08/29/762210829.db2.gz VIOXNHDUPCBKPX-YUELXQCFSA-N 1 0 309.410 1.813 20 5 DDBDRO [NH3+][C@@H](CO)Cc1cncn1-c1ccc2cc([N+](=O)[O-])ccc2n1 ZINC001169067366 762217979 /nfs/dbraw/zinc/21/79/79/762217979.db2.gz QXQFJVWGUZRPTB-LLVKDONJSA-N 1 0 313.317 1.191 20 5 DDBDRO Cc1nn(C)c(N2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001119983131 758167261 /nfs/dbraw/zinc/16/72/61/758167261.db2.gz PRQPDOYVZVWPMJ-YNEHKIRRSA-N 1 0 307.398 1.803 20 5 DDBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccc(F)cc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001020138907 760612807 /nfs/dbraw/zinc/61/28/07/760612807.db2.gz HKLQBTXXVQEVDK-AAVRWANBSA-N 1 0 307.325 1.228 20 5 DDBDRO COCC1(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001131310988 767984388 /nfs/dbraw/zinc/98/43/88/767984388.db2.gz KDNDRRXMAMARNY-UHFFFAOYSA-N 1 0 307.350 1.227 20 5 DDBDRO COCC(C)(C)C(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001131323893 767990364 /nfs/dbraw/zinc/99/03/64/767990364.db2.gz ZODJCFGQMVSVLS-UHFFFAOYSA-N 1 0 309.366 1.473 20 5 DDBDRO COC(=O)c1cc(N[C@@H](C)[C@H]2C[NH2+]CCO2)cc([N+](=O)[O-])c1 ZINC001170568805 768180918 /nfs/dbraw/zinc/18/09/18/768180918.db2.gz HMUPSJRCDAZYLG-TVQRCGJNSA-N 1 0 309.322 1.170 20 5 DDBDRO COc1ccc(C[C@H](C)[NH2+][C@@H](CO)[C@@H]2CCOC2)c([N+](=O)[O-])c1 ZINC001170318623 766249721 /nfs/dbraw/zinc/24/97/21/766249721.db2.gz QHPMOCXNFZDOGP-LNSITVRQSA-N 1 0 324.377 1.521 20 5 DDBDRO COc1ccc(C[C@@H](C)[NH2+][C@H]2CCN(C)C2=O)c([N+](=O)[O-])c1 ZINC001170309243 766259439 /nfs/dbraw/zinc/25/94/39/766259439.db2.gz PRITZRMRJBUJGE-MFKMUULPSA-N 1 0 307.350 1.355 20 5 DDBDRO COc1ccc(C[C@H](C)[NH2+][C@H]2CCC(=O)NC2)c([N+](=O)[O-])c1 ZINC001170307838 766259744 /nfs/dbraw/zinc/25/97/44/766259744.db2.gz ISDLGDMPPQKENN-JQWIXIFHSA-N 1 0 307.350 1.403 20 5 DDBDRO CC[N@H+](CCC(N)=O)[C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170345042 766277351 /nfs/dbraw/zinc/27/73/51/766277351.db2.gz GWJFHTYXWJWLIF-NSHDSACASA-N 1 0 309.366 1.732 20 5 DDBDRO O=C(NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)C1(C2CC2)CC1 ZINC001130017231 767135579 /nfs/dbraw/zinc/13/55/79/767135579.db2.gz XZNCMEOBJZWFFC-UHFFFAOYSA-N 1 0 303.362 1.991 20 5 DDBDRO CCc1ncoc1C(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001133584375 770014289 /nfs/dbraw/zinc/01/42/89/770014289.db2.gz SJBNQORCADDDIN-UHFFFAOYSA-N 1 0 318.333 1.665 20 5 DDBDRO CCOC(=O)CN(CC[NH3+])c1c(Cl)cc(C)cc1[N+](=O)[O-] ZINC001170999614 772069552 /nfs/dbraw/zinc/06/95/52/772069552.db2.gz JLKOXKNDWQESJE-UHFFFAOYSA-N 1 0 315.757 1.885 20 5 DDBDRO CCC/C=C/CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001147507450 773156248 /nfs/dbraw/zinc/15/62/48/773156248.db2.gz ONPBBPSBHYQOPQ-DPOFCPOHSA-N 1 0 321.421 1.932 20 5 DDBDRO O=C(NCCCNc1ccc([N+](=O)[O-])cc1)C12CC[NH+](CC1)C2 ZINC001094505846 775949820 /nfs/dbraw/zinc/94/98/20/775949820.db2.gz GDAVBPDFLYETKD-UHFFFAOYSA-N 1 0 318.377 1.609 20 5 DDBDRO Cc1cc(NCCCNC(=O)CCC[NH+](C)C)ncc1[N+](=O)[O-] ZINC001094744901 776243137 /nfs/dbraw/zinc/24/31/37/776243137.db2.gz PISRKQAYAYXZLT-UHFFFAOYSA-N 1 0 323.397 1.558 20 5 DDBDRO CCN(CCNC(=O)C[NH+](CC)CC)c1ccccc1[N+](=O)[O-] ZINC001100543239 776289303 /nfs/dbraw/zinc/28/93/03/776289303.db2.gz XGCXOQSXEVTTJE-UHFFFAOYSA-N 1 0 322.409 1.879 20 5 DDBDRO O=C1C[C@@H]([NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCN1 ZINC001172900554 776915275 /nfs/dbraw/zinc/91/52/75/776915275.db2.gz VRQXPPSEEMCXBI-KGLIPLIRSA-N 1 0 303.362 1.710 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CC[C@H](CO)[C@H](O)C1)CC2 ZINC001172902305 776915802 /nfs/dbraw/zinc/91/58/02/776915802.db2.gz AKFINVJCANPYTF-BFYDXBDKSA-N 1 0 320.389 1.517 20 5 DDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC2(CNC(=O)N2)CC1 ZINC001173233839 777064473 /nfs/dbraw/zinc/06/44/73/777064473.db2.gz ZPGGWBGUWARNPU-LBPRGKRZSA-N 1 0 318.377 1.673 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)CN2CCN3C[C@@H](F)C[C@H]3C2)cc1 ZINC001176778477 778235434 /nfs/dbraw/zinc/23/54/34/778235434.db2.gz VNKUXGPAFFOHOV-QEJZJMRPSA-N 1 0 309.341 1.356 20 5 DDBDRO Cc1oncc1C[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001178464480 779061016 /nfs/dbraw/zinc/06/10/16/779061016.db2.gz TXKGSIBWUBIIRX-ZIAGYGMSSA-N 1 0 324.381 1.414 20 5 DDBDRO C[C@@]1(CO)CCC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC001116361044 780500335 /nfs/dbraw/zinc/50/03/35/780500335.db2.gz FCCJVVVFSCJCGP-GDBMZVCRSA-N 1 0 324.377 1.429 20 5 DDBDRO NC(=O)C[C@@H]1CCC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001116491572 780514585 /nfs/dbraw/zinc/51/45/85/780514585.db2.gz UITGZBNXQJEUAI-SMDDNHRTSA-N 1 0 307.350 1.216 20 5 DDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC001118136746 781040121 /nfs/dbraw/zinc/04/01/21/781040121.db2.gz VGYSWTQYNCRSMQ-HNNXBMFYSA-N 1 0 304.350 1.462 20 5 DDBDRO Cc1nc(N2CCC(CO)([NH2+]CC3CC3)CC2)ncc1[N+](=O)[O-] ZINC001118595761 781172070 /nfs/dbraw/zinc/17/20/70/781172070.db2.gz FRUMYACAFSLAFT-UHFFFAOYSA-N 1 0 321.381 1.024 20 5 DDBDRO C[N@H+]1C[C@H]2CN(C(=O)c3cccc([N+](=O)[O-])c3Cl)C[C@H]2C1 ZINC001118916258 781271449 /nfs/dbraw/zinc/27/14/49/781271449.db2.gz XORIJYKWOCSXEM-AOOOYVTPSA-N 1 0 309.753 1.882 20 5 DDBDRO CN1CC[NH+](C2CCN(c3ccncc3[N+](=O)[O-])CC2)CC1 ZINC001118991997 781292590 /nfs/dbraw/zinc/29/25/90/781292590.db2.gz VSWXBYUIONZJQD-UHFFFAOYSA-N 1 0 305.382 1.206 20 5 DDBDRO C[N@@H+]1CC[C@H]1CNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC001119630961 781543329 /nfs/dbraw/zinc/54/33/29/781543329.db2.gz LMLDAPXQSBCHST-ZDUSSCGKSA-N 1 0 306.366 1.833 20 5 DDBDRO Cc1cncc([N+](=O)[O-])c1NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC001119977757 781703515 /nfs/dbraw/zinc/70/35/15/781703515.db2.gz SPEDRLQKIIRGGA-ZDUSSCGKSA-N 1 0 306.366 1.385 20 5 DDBDRO [NH3+]Cc1cn(-c2cc([N+](=O)[O-])cc3c(Cl)ncnc32)cn1 ZINC001154910993 861565883 /nfs/dbraw/zinc/56/58/83/861565883.db2.gz TXDAIEMBIJOUNQ-UHFFFAOYSA-N 1 0 304.697 1.836 20 5 DDBDRO CC(C)=CC(=O)NCC1([NH2+]Cc2c([N+](=O)[O-])ncn2C)CCC1 ZINC001326772646 861601932 /nfs/dbraw/zinc/60/19/32/861601932.db2.gz CFZKYHWSHIAPDC-UHFFFAOYSA-N 1 0 321.381 1.423 20 5 DDBDRO C[NH+](C)C[C@H]1COCCN1c1ncnc2cccc([N+](=O)[O-])c21 ZINC001154986133 861623090 /nfs/dbraw/zinc/62/30/90/861623090.db2.gz YHASXLWBWPWCRC-NSHDSACASA-N 1 0 317.349 1.305 20 5 DDBDRO O=C(NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1cnns1 ZINC001155113353 861744395 /nfs/dbraw/zinc/74/43/95/861744395.db2.gz CARFJMCSSNJFHA-UHFFFAOYSA-N 1 0 321.362 1.356 20 5 DDBDRO CC/C=C(/C)C(=O)NCCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001155293234 861939264 /nfs/dbraw/zinc/93/92/64/861939264.db2.gz ZELPUUMNQLALDZ-WDZFZDKYSA-N 1 0 309.370 1.281 20 5 DDBDRO COC(=O)[C@@H](Nc1ccc2ccc([N+](=O)[O-])cc2n1)C(C)(C)[NH3+] ZINC001155369304 862002906 /nfs/dbraw/zinc/00/29/06/862002906.db2.gz SNJGTSICGCNXNC-CYBMUJFWSA-N 1 0 318.333 1.834 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(N(C)CCCNC(=O)CC[NH+](C)C)n1 ZINC001095732017 855177559 /nfs/dbraw/zinc/17/75/59/855177559.db2.gz HTKQPDCJWJXABS-UHFFFAOYSA-N 1 0 323.397 1.192 20 5 DDBDRO CCn1cccc1C(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001151191131 862668716 /nfs/dbraw/zinc/66/87/16/862668716.db2.gz VIPLGRVTUWRDBG-UHFFFAOYSA-N 1 0 316.361 1.936 20 5 DDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)NCC[C@@H]1CSCC[NH2+]1 ZINC001122084098 858680375 /nfs/dbraw/zinc/68/03/75/858680375.db2.gz VYMBGBOYWHLSPZ-GFCCVEGCSA-N 1 0 309.391 1.349 20 5 DDBDRO C[C@@H](COC(=O)/C=C\c1ccc(OCC[NH+](C)C)cc1)[N+](=O)[O-] ZINC001122950231 859022065 /nfs/dbraw/zinc/02/20/65/859022065.db2.gz HEIYMZPVBRZGSY-XURPKSDJSA-N 1 0 322.361 1.849 20 5 DDBDRO Cc1ccncc1C(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001125185371 859915263 /nfs/dbraw/zinc/91/52/63/859915263.db2.gz ZCOVCKUYDBLDEF-UHFFFAOYSA-N 1 0 314.345 1.818 20 5 DDBDRO CC(C)(C)OC(=O)N1CC2(C1)C[C@@H](OCC[N+](C)(C)C)CO2 ZINC001224772210 881529423 /nfs/dbraw/zinc/52/94/23/881529423.db2.gz WZWGDYOMOHDUHM-CYBMUJFWSA-N 1 0 315.434 1.488 20 5 DDBDRO COc1nc(C)c([N+](=O)[O-])c(N2C[C@@H]3CCC[N@H+](C)[C@@H]3C2)n1 ZINC001157263713 863690420 /nfs/dbraw/zinc/69/04/20/863690420.db2.gz BLGDZVAIBDNVEI-WDEREUQCSA-N 1 0 307.354 1.232 20 5 DDBDRO O=[N+]([O-])c1cc(C(F)(F)N[C@H]2C[NH2+]CC[C@H]2F)cnc1Cl ZINC001157446175 863825050 /nfs/dbraw/zinc/82/50/50/863825050.db2.gz XCUDFBWGMLNPEJ-SFYZADRCSA-N 1 0 324.690 1.982 20 5 DDBDRO O=[N+]([O-])c1cc2c(Cl)ncnc2cc1N1C[C@@H]2C[NH2+][C@@H]2C1 ZINC001157620046 863981822 /nfs/dbraw/zinc/98/18/22/863981822.db2.gz XXXYGBWSEZIXMB-OIBJUYFYSA-N 1 0 305.725 1.599 20 5 DDBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N(C(C)C)[C@@H]2CC[NH2+]C2)n1 ZINC001158035888 864375552 /nfs/dbraw/zinc/37/55/52/864375552.db2.gz ZPAMMHARWOORAU-LLVKDONJSA-N 1 0 322.369 1.228 20 5 DDBDRO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N)CC[N@@H+](C2CC2)C1 ZINC001330658557 864516110 /nfs/dbraw/zinc/51/61/10/864516110.db2.gz DKZOSLDVXNCRPZ-NSHDSACASA-N 1 0 318.377 1.733 20 5 DDBDRO CCOC(=O)C1C[NH2+]CCC1=Nc1ncc(F)cc1[N+](=O)[O-] ZINC001159453454 865310789 /nfs/dbraw/zinc/31/07/89/865310789.db2.gz ROKVZHQBTJXYFK-UHFFFAOYSA-N 1 0 310.285 1.351 20 5 DDBDRO C[C@@H](Nc1cnc2cc([N+](=O)[O-])ccc2n1)[C@@H]1C[NH2+]CCO1 ZINC001159495086 865345527 /nfs/dbraw/zinc/34/55/27/865345527.db2.gz CLQCOKRGAPASJU-RNCFNFMXSA-N 1 0 303.322 1.327 20 5 DDBDRO Cc1ncc([N+](=O)[O-])c(N[C@H]2CC[NH2+]C[C@H]2C(F)(F)F)n1 ZINC001160738899 866088852 /nfs/dbraw/zinc/08/88/52/866088852.db2.gz VOZJWCRNSWWGBK-SFYZADRCSA-N 1 0 305.260 1.646 20 5 DDBDRO COc1cccc2c1c(C[NH3+])cn2-c1ncc([N+](=O)[O-])cc1N ZINC001160765050 866106581 /nfs/dbraw/zinc/10/65/81/866106581.db2.gz KEKLSLHULZKDBP-UHFFFAOYSA-N 1 0 313.317 1.983 20 5 DDBDRO Cc1nn(CN2CC[N@@H+](C)C(C)(C)C2)c2ncc([N+](=O)[O-])cc12 ZINC001333313508 866623130 /nfs/dbraw/zinc/62/31/30/866623130.db2.gz OEKCXIDGCYDGAM-UHFFFAOYSA-N 1 0 318.381 1.631 20 5 DDBDRO COCCC1(CNc2ncc(OC)cc2[N+](=O)[O-])CC[NH2+]CC1 ZINC001161503164 866718389 /nfs/dbraw/zinc/71/83/89/866718389.db2.gz DGKKZOPCGPGGJV-UHFFFAOYSA-N 1 0 324.381 1.817 20 5 DDBDRO [NH3+]C1CCN(CCNc2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC001161873049 867056181 /nfs/dbraw/zinc/05/61/81/867056181.db2.gz UFLIZHNEBMHKIK-UHFFFAOYSA-N 1 0 316.365 1.373 20 5 DDBDRO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001324694476 867456919 /nfs/dbraw/zinc/45/69/19/867456919.db2.gz WXQUPNVSIHNCKJ-RBSFLKMASA-N 1 0 321.377 1.617 20 5 DDBDRO C[C@H]1[NH2+]CC[C@H]1Nc1cc([N+](=O)[O-])cc(Br)[n+]1[O-] ZINC001162677227 867718089 /nfs/dbraw/zinc/71/80/89/867718089.db2.gz BGMDJSVUEDGZLO-HTRCEHHLSA-N 1 0 317.143 1.153 20 5 DDBDRO Cc1c[n+]([O-])c(-n2c3ccccc3nc2[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC001162757519 867803833 /nfs/dbraw/zinc/80/38/33/867803833.db2.gz AHBQPYYIKBPHTL-SNVBAGLBSA-N 1 0 313.317 1.895 20 5 DDBDRO Nc1nc(Nc2ccc([C@@H](C[NH3+])CO)cc2)ccc1[N+](=O)[O-] ZINC001163052663 868038660 /nfs/dbraw/zinc/03/86/60/868038660.db2.gz JRMWUBAFXXMXNE-JTQLQIEISA-N 1 0 303.322 1.350 20 5 DDBDRO COc1ncc([N+](=O)[O-])c(N[C@@H]2C[NH2+]Cc3ccsc32)n1 ZINC001163220701 868227594 /nfs/dbraw/zinc/22/75/94/868227594.db2.gz HJGXPNCUUYSNPT-MRVPVSSYSA-N 1 0 307.335 1.711 20 5 DDBDRO Cc1cc(NC[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)ncc1[N+](=O)[O-] ZINC001163279383 868301818 /nfs/dbraw/zinc/30/18/18/868301818.db2.gz MFVICTRVFHYPKD-IUODEOHRSA-N 1 0 306.366 1.869 20 5 DDBDRO COc1ccc([N+](=O)[O-])nc1NC[C@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001163278662 868302099 /nfs/dbraw/zinc/30/20/99/868302099.db2.gz IJWNAYFQAJMPMG-XHDPSFHLSA-N 1 0 322.365 1.569 20 5 DDBDRO C[C@@H](C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)N1CCCCC1=O ZINC001335447672 868306587 /nfs/dbraw/zinc/30/65/87/868306587.db2.gz IGJUGYHYXCOHEC-WFASDCNBSA-N 1 0 321.377 1.619 20 5 DDBDRO O=C(NCCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1cnco1 ZINC001163529136 868511123 /nfs/dbraw/zinc/51/11/23/868511123.db2.gz RWXOSSWYSCIZNC-UHFFFAOYSA-N 1 0 310.335 1.554 20 5 DDBDRO O=[N+]([O-])c1cnc(NCc2cccnc2C2CC[NH2+]CC2)cn1 ZINC001163912178 868784856 /nfs/dbraw/zinc/78/48/56/868784856.db2.gz SGGISAQGCGCKCM-UHFFFAOYSA-N 1 0 314.349 1.859 20 5 DDBDRO COC(=O)c1c(C)c([N+](=O)[O-])ccc1-n1nc(C[NH3+])cc1C ZINC001163988639 868850701 /nfs/dbraw/zinc/85/07/01/868850701.db2.gz QWJRATNCIQUOST-UHFFFAOYSA-N 1 0 304.306 1.643 20 5 DDBDRO CC(C)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC001226168759 882245436 /nfs/dbraw/zinc/24/54/36/882245436.db2.gz ULWFUNGCGWIBLK-UHFFFAOYSA-N 1 0 307.350 1.945 20 5 DDBDRO O=[N+]([O-])c1cccc2nc(N3C[C@H]4C[NH2+]C[C@@]4(CO)C3)ccc21 ZINC001165284319 869494301 /nfs/dbraw/zinc/49/43/01/869494301.db2.gz YYFKEGZEIVLOAU-BZNIZROVSA-N 1 0 314.345 1.161 20 5 DDBDRO O=[N+]([O-])c1c[nH]c2ccc(N3CCO[C@@H]4C[NH2+]CC[C@@H]4C3)nc21 ZINC001165292117 869500944 /nfs/dbraw/zinc/50/09/44/869500944.db2.gz LMDAULVOQSZPCA-ZWNOBZJWSA-N 1 0 317.349 1.286 20 5 DDBDRO C[N@@H+]1C[C@@H]2CC[C@H](Nc3nc4ccccn4c3[N+](=O)[O-])[C@H]2C1 ZINC001338161460 869841649 /nfs/dbraw/zinc/84/16/49/869841649.db2.gz CNOLYLVQGTYZJV-SRVKXCTJSA-N 1 0 301.350 1.995 20 5 DDBDRO [NH3+]CCc1nccn1-c1nc2cc([N+](=O)[O-])ccc2nc1Cl ZINC001166276106 869930498 /nfs/dbraw/zinc/93/04/98/869930498.db2.gz DSWXNXUHWJSHKR-UHFFFAOYSA-N 1 0 318.724 1.878 20 5 DDBDRO CN(C)C1(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCOCC1 ZINC001338475542 870000562 /nfs/dbraw/zinc/00/05/62/870000562.db2.gz SRDLXLVEZSMCDM-OAHLLOKOSA-N 1 0 323.393 1.329 20 5 DDBDRO CCn1c(C[N+](=O)[O-])nnc1N1CCC(CC)([NH+]2CCC2)CC1 ZINC001339326029 870446366 /nfs/dbraw/zinc/44/63/66/870446366.db2.gz DQTHLXALEMSIAU-UHFFFAOYSA-N 1 0 322.413 1.529 20 5 DDBDRO C[N@@H+]1CCCC[C@@H]1CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC001339923683 870787596 /nfs/dbraw/zinc/78/75/96/870787596.db2.gz WHIIBYKAXPFHKS-CQSZACIVSA-N 1 0 306.366 1.878 20 5 DDBDRO C[C@@H](CNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N)[NH+](C)C ZINC001299846810 870942799 /nfs/dbraw/zinc/94/27/99/870942799.db2.gz SFZLYSAWXNEKNT-LURJTMIESA-N 1 0 318.736 1.649 20 5 DDBDRO CCCc1n[nH]c(C(=O)N[C@@H]2C[N@H+](CC)CC2(C)C)c1[N+](=O)[O-] ZINC001304042443 871181263 /nfs/dbraw/zinc/18/12/63/871181263.db2.gz JHGTVMOMFHWSQH-LLVKDONJSA-N 1 0 323.397 1.731 20 5 DDBDRO COC(=O)c1ccnc(N2C[C@@H]3C[N@@H+](C)CC[C@@H]3C2)c1[N+](=O)[O-] ZINC001307157858 871403255 /nfs/dbraw/zinc/40/32/55/871403255.db2.gz ZZPSEZOONANOML-MNOVXSKESA-N 1 0 320.349 1.164 20 5 DDBDRO C[C@H](NC(=O)[C@H]1[NH2+]CC12CCOCC2)c1ccc([N+](=O)[O-])cc1 ZINC001340994169 871456999 /nfs/dbraw/zinc/45/69/99/871456999.db2.gz CVOSLSSXPXWNTI-SMDDNHRTSA-N 1 0 319.361 1.541 20 5 DDBDRO COc1ccc(NC(=O)CC[N@@H+]2CC=C[C@@H]2CO)c([N+](=O)[O-])c1 ZINC001308033122 871462548 /nfs/dbraw/zinc/46/25/48/871462548.db2.gz LMKWLZUHFXJTMY-LLVKDONJSA-N 1 0 321.333 1.165 20 5 DDBDRO CC(C)[C@H](CO)[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC001308173877 871477108 /nfs/dbraw/zinc/47/71/08/871477108.db2.gz OUXWCGWQDNFRQG-ZDUSSCGKSA-N 1 0 313.329 1.669 20 5 DDBDRO CCOc1ccc(C(=O)NCC[C@@H]2C[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC001341652845 871756815 /nfs/dbraw/zinc/75/68/15/871756815.db2.gz PYAVUZWGBZEVGG-DGCLKSJQSA-N 1 0 321.377 1.969 20 5 DDBDRO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC001318507007 872120564 /nfs/dbraw/zinc/12/05/64/872120564.db2.gz KZVYGFQRCJWWLD-CHWSQXEVSA-N 1 0 309.370 1.170 20 5 DDBDRO Cc1nc(OC(=O)C[C@@H](O)C[N+](C)(C)C)cc(C(F)(F)F)n1 ZINC001226703686 882597689 /nfs/dbraw/zinc/59/76/89/882597689.db2.gz WFDRYANTQKWLDW-SECBINFHSA-N 1 0 322.307 1.166 20 5 DDBDRO [NH3+][C@@H]1CC[C@H](CNC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC001342845499 872409457 /nfs/dbraw/zinc/40/94/57/872409457.db2.gz ZSDTUBDIESPQMK-QMGNLALYSA-N 1 0 303.362 1.942 20 5 DDBDRO COc1c(O)ccc(CNC[C@@H]2CC[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC001342898356 872427589 /nfs/dbraw/zinc/42/75/89/872427589.db2.gz QVUUNJXGKDNGHX-NSHDSACASA-N 1 0 321.377 1.883 20 5 DDBDRO O=C(N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC001342942011 872446256 /nfs/dbraw/zinc/44/62/56/872446256.db2.gz MPMUKUHPJMJHMU-OUCADQQQSA-N 1 0 316.361 1.792 20 5 DDBDRO C[C@H](c1ccccn1)[N@@H+]1CC[C@@H](Oc2ncc([N+](=O)[O-])cn2)C1 ZINC001226733070 882618774 /nfs/dbraw/zinc/61/87/74/882618774.db2.gz GPOJQFLFGLOMGC-DGCLKSJQSA-N 1 0 315.333 1.994 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC001319297820 872549127 /nfs/dbraw/zinc/54/91/27/872549127.db2.gz DQSSYPVMVROHCN-NSHDSACASA-N 1 0 321.381 1.752 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(OC2C[NH2+]C2)CC1 ZINC001343376104 872601239 /nfs/dbraw/zinc/60/12/39/872601239.db2.gz SUCQIHLKHWQSKE-UHFFFAOYSA-N 1 0 319.361 1.496 20 5 DDBDRO C[C@H]([NH3+])CONC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC001343798270 872761722 /nfs/dbraw/zinc/76/17/22/872761722.db2.gz MQORDUBYZSLYLO-VIFPVBQESA-N 1 0 319.321 1.004 20 5 DDBDRO C[C@H](NC(=O)[C@]12C[NH2+]C[C@H]1CCOC2)c1ccc([N+](=O)[O-])cc1 ZINC001344790359 873117627 /nfs/dbraw/zinc/11/76/27/873117627.db2.gz VQVDMMBLSWXDNA-GHJWDPDVSA-N 1 0 319.361 1.398 20 5 DDBDRO COc1ccc(NC(=O)N2CC[N@@H+]3CC[C@H]2C3)cc1[N+](=O)[O-] ZINC001345276012 873332436 /nfs/dbraw/zinc/33/24/36/873332436.db2.gz UWVXAJFSSKBALG-NSHDSACASA-N 1 0 306.322 1.525 20 5 DDBDRO [NH3+]C[C@]12CC[C@H]1CCN2C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC001345601604 873452650 /nfs/dbraw/zinc/45/26/50/873452650.db2.gz HFGZVLBOZFXDMA-XISFRHFQSA-N 1 0 301.346 1.948 20 5 DDBDRO O=[N+]([O-])c1ncccc1N1CCC([NH2+]C2CCOCC2)CC1 ZINC001348743118 874749690 /nfs/dbraw/zinc/74/96/90/874749690.db2.gz PVYRQYAKQPDTAI-UHFFFAOYSA-N 1 0 306.366 1.727 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1O[C@H]1C[C@@H]2CC(=O)C[C@H]1N2C ZINC001227185374 882898638 /nfs/dbraw/zinc/89/86/38/882898638.db2.gz QFCZEDBYTUAWBQ-SUHUHFCYSA-N 1 0 306.318 1.786 20 5 DDBDRO C[NH+](C)CCONC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC001351001326 876007885 /nfs/dbraw/zinc/00/78/85/876007885.db2.gz MLPMYFKCWAZBAI-UHFFFAOYSA-N 1 0 319.264 1.419 20 5 DDBDRO C[N@@H+]1CCCC[C@@H](CNC(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC001215998117 876839681 /nfs/dbraw/zinc/83/96/81/876839681.db2.gz UVDJMWPEBSDAIW-NSHDSACASA-N 1 0 307.354 1.265 20 5 DDBDRO Cc1nc(N2CCN(c3cc[nH+]cc3)[C@H](C)C2)ncc1[N+](=O)[O-] ZINC001353024950 877074056 /nfs/dbraw/zinc/07/40/56/877074056.db2.gz XVCRZOYMRJIGNS-LLVKDONJSA-N 1 0 314.349 1.803 20 5 DDBDRO COC(=O)c1cc(Cl)cc([N+](=O)[O-])c1O[C@H]1CC[NH2+]C1 ZINC001218181092 877413077 /nfs/dbraw/zinc/41/30/77/877413077.db2.gz CBLUMXXHOBICCC-QMMMGPOBSA-N 1 0 300.698 1.776 20 5 DDBDRO O=C(Nc1cc2cccnc2c2ncccc12)[C@H]1C[NH2+]CCN1 ZINC001218980170 877851746 /nfs/dbraw/zinc/85/17/46/877851746.db2.gz VHTXEQBHJSZFNO-CQSZACIVSA-N 1 0 307.357 1.283 20 5 DDBDRO O=C(COc1cccc([N+](=O)[O-])c1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001355095440 878423356 /nfs/dbraw/zinc/42/33/56/878423356.db2.gz SMQRBBRMKVMKKL-NWDGAFQWSA-N 1 0 305.334 1.042 20 5 DDBDRO COc1c(C)cnc(COC(=O)C[C@@H](O)C[N+](C)(C)C)c1C ZINC001222902145 880742793 /nfs/dbraw/zinc/74/27/93/880742793.db2.gz BODDZTZSPQMPAD-CYBMUJFWSA-N 1 0 311.402 1.207 20 5 DDBDRO CC/C=C/CC[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001223114968 880836107 /nfs/dbraw/zinc/83/61/07/880836107.db2.gz ZAJOYXORAKBQMW-LRPXVYOUSA-N 1 0 309.410 1.836 20 5 DDBDRO CCOC(=O)c1c[nH]c(=S)nc1O[C@@H](C)C[N+](C)(C)C ZINC001228553795 883550435 /nfs/dbraw/zinc/55/04/35/883550435.db2.gz XUWQDZRHLDIGRG-VIFPVBQESA-O 1 0 300.404 1.416 20 5 DDBDRO CCOC(=O)c1ncn2ccc(O[C@@H](C)C[N+](C)(C)C)nc12 ZINC001231390926 885591615 /nfs/dbraw/zinc/59/16/15/885591615.db2.gz OGJSBJRJVGSMDM-NSHDSACASA-N 1 0 307.374 1.380 20 5 DDBDRO OC[C@H]1C[N@H+](Cc2ccc3ccc4cccnc4c3n2)CC[C@H]1O ZINC001232218316 886166548 /nfs/dbraw/zinc/16/65/48/886166548.db2.gz FUPHJKIPJQJFDN-NVXWUHKLSA-N 1 0 323.396 1.958 20 5 DDBDRO CC(C)(C)OC(=O)[C@H](CCC[NH3+])N[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001246205869 892481235 /nfs/dbraw/zinc/48/12/35/892481235.db2.gz ABUBQKCAZWFEHW-AVGNSLFASA-N 1 0 315.414 1.471 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2C[C@@H]3C[NH2+]C[C@H]32)c1F ZINC001246916636 892986086 /nfs/dbraw/zinc/98/60/86/892986086.db2.gz JABNKXYMNQDGAB-OUJBWJOFSA-N 1 0 309.341 1.577 20 5 DDBDRO C[NH+](C)[C@@H]1CCCC[C@H]1Nc1ccc2ncc([N+](=O)[O-])n2n1 ZINC001253935911 896161592 /nfs/dbraw/zinc/16/15/92/896161592.db2.gz WRFCGDPPXVACTH-GHMZBOCLSA-N 1 0 304.354 1.922 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]3[C@@H]4COC[C@@H]43)CC2)cc1 ZINC001254469178 896456123 /nfs/dbraw/zinc/45/61/23/896456123.db2.gz XNNBVAFCJIZUPQ-ZSHCYNCHSA-N 1 0 303.362 1.798 20 5 DDBDRO C[C@H]1C[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@@H]1O ZINC001254474694 896456887 /nfs/dbraw/zinc/45/68/87/896456887.db2.gz SVXRQHSQOFNNGX-LRDDRELGSA-N 1 0 305.378 1.876 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CCO[C@@]3(CCOC3)C1)C2 ZINC001254593216 896521827 /nfs/dbraw/zinc/52/18/27/896521827.db2.gz KAUNHDMLNPFOCF-CVEARBPZSA-N 1 0 304.346 1.553 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CCC[C@@H](n3ccnn3)C1)C2 ZINC001254610585 896530282 /nfs/dbraw/zinc/53/02/82/896530282.db2.gz LHJAHDMAQCYOQT-HZPDHXFCSA-N 1 0 313.361 1.991 20 5 DDBDRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2C[N@H+](CC[N+](=O)[O-])C[C@H]21 ZINC001262256057 900055801 /nfs/dbraw/zinc/05/58/01/900055801.db2.gz DYEHYZDGVASTLZ-YNEHKIRRSA-N 1 0 313.398 1.888 20 5 DDBDRO O=[N+]([O-])c1ccc(NCC[NH2+]C[C@@H](O)CC(F)(F)F)cc1 ZINC001262557915 900242291 /nfs/dbraw/zinc/24/22/91/900242291.db2.gz PUZOZTDSXGEGOJ-NSHDSACASA-N 1 0 307.272 1.910 20 5 DDBDRO CN(C)C(C)(C)C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC001262561915 900246370 /nfs/dbraw/zinc/24/63/70/900246370.db2.gz KFOKVYGJNIFMRJ-GFCCVEGCSA-N 1 0 311.382 1.264 20 5 DDBDRO COCC(=O)N(C)CCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC001280776391 904017968 /nfs/dbraw/zinc/01/79/68/904017968.db2.gz IVBWFTKYIKNVOH-UHFFFAOYSA-N 1 0 309.366 1.522 20 5 DDBDRO Cc1conc1C[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001282295227 905666921 /nfs/dbraw/zinc/66/69/21/905666921.db2.gz SSGKVJKUZOITMG-DGCLKSJQSA-N 1 0 324.381 1.222 20 5 DDBDRO COc1ccc(C(=O)NCC2(C)CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000181224199 199267779 /nfs/dbraw/zinc/26/77/79/199267779.db2.gz MWMXEDYMSOLBOQ-UHFFFAOYSA-N 1 0 307.350 1.723 20 5 DDBDRO C[C@@H]([NH2+]C1CC1)C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000449124476 230581555 /nfs/dbraw/zinc/58/15/55/230581555.db2.gz GMNIKAIVZHQXSM-PWSUYJOCSA-N 1 0 319.365 1.143 20 5 DDBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2C[C@H](O)C[C@@H]2[C@@H]2CCCOC2)cc1 ZINC000451306466 231063112 /nfs/dbraw/zinc/06/31/12/231063112.db2.gz YHKCGJXGGUVPCI-DJIMGWMZSA-N 1 0 320.389 1.999 20 5 DDBDRO COC[C@@]1(CO)CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000451920287 231232361 /nfs/dbraw/zinc/23/23/61/231232361.db2.gz ADTAKRRHYNJMLT-HNNXBMFYSA-N 1 0 310.350 1.304 20 5 DDBDRO O=[N+]([O-])c1ccc2[nH]c(NCC[NH+]3CCSCC3)nc2c1 ZINC000219357303 539264703 /nfs/dbraw/zinc/26/47/03/539264703.db2.gz NGLFEWUMXPEFPB-UHFFFAOYSA-N 1 0 307.379 1.932 20 5 DDBDRO CC[C@H](C)[NH+]1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000451844807 529700554 /nfs/dbraw/zinc/70/05/54/529700554.db2.gz PDAGYUYPHJVUJA-ZDUSSCGKSA-N 1 0 320.393 1.949 20 5 DDBDRO O=C(Nc1ccncc1[N+](=O)[O-])N1CC[NH+](C2CCC2)CC1 ZINC000272759336 210164573 /nfs/dbraw/zinc/16/45/73/210164573.db2.gz VHSCNWJHLMMFFD-UHFFFAOYSA-N 1 0 305.338 1.692 20 5 DDBDRO CN(CC(=O)N[C@H]1CCCC[C@H]1C[NH3+])c1ccccc1[N+](=O)[O-] ZINC000262621585 282356022 /nfs/dbraw/zinc/35/60/22/282356022.db2.gz JXMMHEMKBDXTIO-STQMWFEESA-N 1 0 320.393 1.665 20 5 DDBDRO C[N@@H+]1CCC[C@H](CCNC(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000458204267 530060422 /nfs/dbraw/zinc/06/04/22/530060422.db2.gz YUJPZSKCYIOVJJ-CQSZACIVSA-N 1 0 305.378 1.985 20 5 DDBDRO C[N@@H+]1CCC[C@H](CCNC(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000458222727 530061020 /nfs/dbraw/zinc/06/10/20/530061020.db2.gz QMTTYOJKTGTPRR-LLVKDONJSA-N 1 0 306.366 1.639 20 5 DDBDRO C[C@H]1C[C@H](NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC[N@@H+]1C ZINC000330889571 232139886 /nfs/dbraw/zinc/13/98/86/232139886.db2.gz BMNRAYCQQARCQI-WDEREUQCSA-N 1 0 309.370 1.125 20 5 DDBDRO CC[NH+](CC)C[C@@H](C)NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000338815446 282431112 /nfs/dbraw/zinc/43/11/12/282431112.db2.gz KUJFZDJVXPRXAK-LLVKDONJSA-N 1 0 311.386 1.373 20 5 DDBDRO CC(C)[C@](C)(C[NH3+])NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000236670284 201957449 /nfs/dbraw/zinc/95/74/49/201957449.db2.gz IQZGYXJCQAVOEM-ZDUSSCGKSA-N 1 0 310.310 1.606 20 5 DDBDRO CC1(C)C[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000279755236 215119211 /nfs/dbraw/zinc/11/92/11/215119211.db2.gz LUQYLYLCXHMVLE-BXUZGUMPSA-N 1 0 310.350 1.037 20 5 DDBDRO C[C@H](CN1CCOCC1)[N@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000279785214 215143771 /nfs/dbraw/zinc/14/37/71/215143771.db2.gz UWXOSIBUIBNCBP-CZUORRHYSA-N 1 0 323.393 1.281 20 5 DDBDRO CC[NH+]1CCC(N(Cc2c([N+](=O)[O-])ncn2C)C2CC2)CC1 ZINC000367581106 307098256 /nfs/dbraw/zinc/09/82/56/307098256.db2.gz CZXZLRMGWJFMFD-UHFFFAOYSA-N 1 0 307.398 1.777 20 5 DDBDRO Cc1cc(C(=O)NC[C@H](C)N2CC[NH+](C)CC2)cc([N+](=O)[O-])c1 ZINC000171132548 197885746 /nfs/dbraw/zinc/88/57/46/197885746.db2.gz NMJXLNKHSFSUNA-ZDUSSCGKSA-N 1 0 320.393 1.269 20 5 DDBDRO [NH3+]C[C@H](NC(=O)CCn1cc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000155675638 186101806 /nfs/dbraw/zinc/10/18/06/186101806.db2.gz NMVBGLPYXQQZQO-ZDUSSCGKSA-N 1 0 309.370 1.205 20 5 DDBDRO COc1ccc(CC(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000564838124 304018013 /nfs/dbraw/zinc/01/80/13/304018013.db2.gz GLINOOQYLYAOKA-ZYHUDNBSSA-N 1 0 307.350 1.342 20 5 DDBDRO [NH3+]C[C@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CCO1 ZINC000358510920 299179260 /nfs/dbraw/zinc/17/92/60/299179260.db2.gz BWQULWUBJOUXKQ-NSHDSACASA-N 1 0 305.290 1.141 20 5 DDBDRO COc1cc(OCC(=O)N[C@@H](C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000287229127 219393480 /nfs/dbraw/zinc/39/34/80/219393480.db2.gz PDTYBDYVCSCXQZ-JTQLQIEISA-N 1 0 311.338 1.049 20 5 DDBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000027767089 352222358 /nfs/dbraw/zinc/22/23/58/352222358.db2.gz MVIRACPFGBLFOJ-CYBMUJFWSA-N 1 0 321.377 1.964 20 5 DDBDRO CC[NH+]1CCC(NC(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000029606276 352241806 /nfs/dbraw/zinc/24/18/06/352241806.db2.gz YSGBOGFAOHRREI-UHFFFAOYSA-N 1 0 307.350 1.574 20 5 DDBDRO CNc1ccc(C(=O)NC[C@H](C)[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000046408843 352451913 /nfs/dbraw/zinc/45/19/13/352451913.db2.gz JRPUCFHLRTWXDO-NSHDSACASA-N 1 0 306.366 1.851 20 5 DDBDRO C[C@@H](C[NH+](C)C)NC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000358535549 299190682 /nfs/dbraw/zinc/19/06/82/299190682.db2.gz XFPUTYGKXKDZGB-NSHDSACASA-N 1 0 324.385 1.088 20 5 DDBDRO O=C(CCn1cc([N+](=O)[O-])cn1)NCCC[NH+]1CCCCCC1 ZINC000063681062 352918808 /nfs/dbraw/zinc/91/88/08/352918808.db2.gz PVBBTQGQWYMFQA-UHFFFAOYSA-N 1 0 323.397 1.564 20 5 DDBDRO O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)c1cc([N+](=O)[O-])c[nH]1 ZINC000331899039 234253705 /nfs/dbraw/zinc/25/37/05/234253705.db2.gz YORRHUVEKZXGBW-LLVKDONJSA-N 1 0 322.365 1.154 20 5 DDBDRO CC1CC[NH+](CCNC(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000067709724 353063593 /nfs/dbraw/zinc/06/35/93/353063593.db2.gz HYDQQHMNHRPUKO-UHFFFAOYSA-N 1 0 320.393 1.855 20 5 DDBDRO O=C(/C=C\c1cccc([N+](=O)[O-])c1)NCC[NH+]1CCSCC1 ZINC000491826756 234307424 /nfs/dbraw/zinc/30/74/24/234307424.db2.gz BDQCBZQQIYLVQP-PLNGDYQASA-N 1 0 321.402 1.773 20 5 DDBDRO COC(=O)CC[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000182085304 199384708 /nfs/dbraw/zinc/38/47/08/199384708.db2.gz WUNAAGJWRUSRMS-CYBMUJFWSA-N 1 0 321.377 1.664 20 5 DDBDRO C[C@@H](O)CN1CCN(C(=O)c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000174299871 198316511 /nfs/dbraw/zinc/31/65/11/198316511.db2.gz LLXHPKQFPPDTPU-NWDGAFQWSA-N 1 0 307.350 1.122 20 5 DDBDRO CC(C)[NH+]1CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000077614267 353478287 /nfs/dbraw/zinc/47/82/87/353478287.db2.gz NMWHJMNTVURWHA-UHFFFAOYSA-N 1 0 321.377 1.916 20 5 DDBDRO CCN1CC[NH+](C[C@H](C)CNc2ncc(C)cc2[N+](=O)[O-])CC1 ZINC000078632332 353525997 /nfs/dbraw/zinc/52/59/97/353525997.db2.gz NUZWKKBGCFDBRE-CQSZACIVSA-N 1 0 321.425 1.984 20 5 DDBDRO COC1CC[NH+](CCNC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000080376707 353604580 /nfs/dbraw/zinc/60/45/80/353604580.db2.gz WTIKZJZFTIOPMA-UHFFFAOYSA-N 1 0 322.365 1.827 20 5 DDBDRO CCc1nn(C)c(N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000091742980 353835233 /nfs/dbraw/zinc/83/52/33/353835233.db2.gz ITWBEZSZLFXIID-YPMHNXCESA-N 1 0 307.398 1.811 20 5 DDBDRO C[NH+](C)[C@H]1CCCN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000277063344 213271701 /nfs/dbraw/zinc/27/17/01/213271701.db2.gz DFODQAQRFNQCIK-ZDUSSCGKSA-N 1 0 320.393 1.949 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000141331809 354139476 /nfs/dbraw/zinc/13/94/76/354139476.db2.gz XGBODVFMKSORMP-GFCCVEGCSA-N 1 0 319.361 1.914 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000142016478 354142998 /nfs/dbraw/zinc/14/29/98/354142998.db2.gz JSSYBNYWENUBOJ-GFCCVEGCSA-N 1 0 304.350 1.609 20 5 DDBDRO CO[C@@H]1C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1OC ZINC000276850932 354413659 /nfs/dbraw/zinc/41/36/59/354413659.db2.gz IWDFCUYDRCCQGQ-GASCZTMLSA-N 1 0 310.350 1.709 20 5 DDBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)C[C@@H](O)C1CC1 ZINC000305729958 354471278 /nfs/dbraw/zinc/47/12/78/354471278.db2.gz KFAPPIXVFAAEFK-IINYFYTJSA-N 1 0 307.350 1.625 20 5 DDBDRO COCC1(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC[NH2+]CC1 ZINC000565032447 304038095 /nfs/dbraw/zinc/03/80/95/304038095.db2.gz BSONAVSIHXKICM-UHFFFAOYSA-N 1 0 319.361 1.500 20 5 DDBDRO CC(C)[NH2+]CC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000316123885 354499705 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304.262 1.798 20 5 DDBDRO CC[C@H]1CN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC[C@H]1[NH3+] ZINC000592427701 355580073 /nfs/dbraw/zinc/58/00/73/355580073.db2.gz QPTDJXKCBYRWML-WCQYABFASA-N 1 0 321.377 1.925 20 5 DDBDRO O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000592544896 355623573 /nfs/dbraw/zinc/62/35/73/355623573.db2.gz JQGOPQQICBUDJQ-GXSJLCMTSA-N 1 0 319.317 1.148 20 5 DDBDRO C[NH2+]Cc1ccccc1CNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000593913587 356057381 /nfs/dbraw/zinc/05/73/81/356057381.db2.gz AHJDBTMHFBKXOL-UHFFFAOYSA-N 1 0 317.349 1.217 20 5 DDBDRO O=C(Nc1ccncc1[N+](=O)[O-])N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594081515 356107819 /nfs/dbraw/zinc/10/78/19/356107819.db2.gz OFPMLORGBRPJLP-AAEUAGOBSA-N 1 0 319.365 1.550 20 5 DDBDRO O=C(CCn1cc([N+](=O)[O-])cn1)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594198078 356136669 /nfs/dbraw/zinc/13/66/69/356136669.db2.gz CXFPOGWXZNSHNF-KBPBESRZSA-N 1 0 321.381 1.315 20 5 DDBDRO 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356422809 /nfs/dbraw/zinc/42/28/09/356422809.db2.gz BRNYREMTBJOVAA-TZMCWYRMSA-N 1 0 323.397 1.547 20 5 DDBDRO C[C@H](NC(=O)NCC12CC(C1)C[NH2+]2)c1cccc([N+](=O)[O-])c1 ZINC000595263599 356425403 /nfs/dbraw/zinc/42/54/03/356425403.db2.gz GVRWLQQQAOUIEM-NLTNOIMHSA-N 1 0 304.350 1.707 20 5 DDBDRO CN(CC(C)(C)[NH3+])C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000595274153 356429076 /nfs/dbraw/zinc/42/90/76/356429076.db2.gz QEEDVMHOSWTTHF-UHFFFAOYSA-N 1 0 320.353 1.350 20 5 DDBDRO O=[N+]([O-])c1cc(F)ccc1CN1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000595303600 356440826 /nfs/dbraw/zinc/44/08/26/356440826.db2.gz AFBXCCSNRKTRRO-GDBMZVCRSA-N 1 0 323.368 1.765 20 5 DDBDRO C[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1nccn1C ZINC000595382082 356473197 /nfs/dbraw/zinc/47/31/97/356473197.db2.gz CYRPUXNAFKPVAH-SECBINFHSA-N 1 0 310.335 1.368 20 5 DDBDRO COC[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1cccc(OC)c1 ZINC000595684815 356609816 /nfs/dbraw/zinc/60/98/16/356609816.db2.gz QHRCDZYCUWVQHY-OAHLLOKOSA-N 1 0 320.349 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356683281 /nfs/dbraw/zinc/68/32/81/356683281.db2.gz CTHSHAMWLGUZEJ-HNNXBMFYSA-N 1 0 323.368 1.765 20 5 DDBDRO CN(C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)C1CC[NH2+]CC1 ZINC000237101040 202154490 /nfs/dbraw/zinc/15/44/90/202154490.db2.gz YIDMJTMHCCAIFC-UHFFFAOYSA-N 1 0 303.322 1.295 20 5 DDBDRO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595959177 356723781 /nfs/dbraw/zinc/72/37/81/356723781.db2.gz BZCUQCCTQVSWHI-LBPRGKRZSA-N 1 0 306.366 1.775 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1[NH2+]CCC1(C)C ZINC000595932194 356710324 /nfs/dbraw/zinc/71/03/24/356710324.db2.gz MPXFACUOOYGUPA-ZDUSSCGKSA-N 1 0 307.350 1.608 20 5 DDBDRO CCOc1cc(C[N@H+](C)CC2(O)CCOCC2)ccc1[N+](=O)[O-] ZINC000276917586 213174614 /nfs/dbraw/zinc/17/46/14/213174614.db2.gz ONOPQNNQVYSDNF-UHFFFAOYSA-N 1 0 324.377 1.967 20 5 DDBDRO CC[NH+]1CCN(CCNc2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000596074615 356763270 /nfs/dbraw/zinc/76/32/70/356763270.db2.gz VXSLRNNZDFPICU-UHFFFAOYSA-N 1 0 308.382 1.653 20 5 DDBDRO COCc1cc([N+](=O)[O-])ccc1NCCC[NH+]1CCC(O)CC1 ZINC000596084566 356766789 /nfs/dbraw/zinc/76/67/89/356766789.db2.gz BUAYKNZNAUJGSN-UHFFFAOYSA-N 1 0 323.393 2.000 20 5 DDBDRO COc1ccc(CSCC(=O)NCCC[NH3+])cc1[N+](=O)[O-] ZINC000237248406 202204305 /nfs/dbraw/zinc/20/43/05/202204305.db2.gz LXUFWQQBMSULTI-UHFFFAOYSA-N 1 0 313.379 1.302 20 5 DDBDRO C[C@H]1C[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@]1(C)CO ZINC000597237039 357105513 /nfs/dbraw/zinc/10/55/13/357105513.db2.gz VZCDNDMKWCXXHT-MEDUHNTESA-N 1 0 322.361 1.816 20 5 DDBDRO C[C@@]1(NC(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC[NH2+]C1 ZINC000597433004 357174235 /nfs/dbraw/zinc/17/42/35/357174235.db2.gz HGYIONVKXRMSTH-CQSZACIVSA-N 1 0 308.338 1.025 20 5 DDBDRO COc1ccc(CC(=O)N2CC(C[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000597707240 357294988 /nfs/dbraw/zinc/29/49/88/357294988.db2.gz AWARKUBXHQTSEO-UHFFFAOYSA-N 1 0 307.350 1.166 20 5 DDBDRO [NH3+][C@]12CCC[C@H]1CN(C(=O)c1cc3c(cc1[N+](=O)[O-])OCO3)C2 ZINC000598668966 357678089 /nfs/dbraw/zinc/67/80/89/357678089.db2.gz DQWIJHICBUYOTR-VFZGTOFNSA-N 1 0 319.317 1.277 20 5 DDBDRO [NH3+][C@]12CCC[C@H]1CN(C(=O)CCNc1ccccc1[N+](=O)[O-])C2 ZINC000598670703 357679048 /nfs/dbraw/zinc/67/90/48/357679048.db2.gz XHLKMDCSPDPCGW-LRDDRELGSA-N 1 0 318.377 1.737 20 5 DDBDRO O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000598914394 357757091 /nfs/dbraw/zinc/75/70/91/357757091.db2.gz CAXCRWWDHYONQN-RNCFNFMXSA-N 1 0 308.313 1.950 20 5 DDBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CCCN1C ZINC000599087541 357811301 /nfs/dbraw/zinc/81/13/01/357811301.db2.gz JTAYIUUERGNUGB-WFASDCNBSA-N 1 0 320.393 1.996 20 5 DDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CC[NH2+]C23CCC3)cc1 ZINC000599108007 357817606 /nfs/dbraw/zinc/81/76/06/357817606.db2.gz OTNWWLAPZYGOSP-LBPRGKRZSA-N 1 0 311.363 1.158 20 5 DDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000599111014 357818916 /nfs/dbraw/zinc/81/89/16/357818916.db2.gz VZPNVWHRFYSCRY-JOYOIKCWSA-N 1 0 313.379 1.186 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000599906302 358077838 /nfs/dbraw/zinc/07/78/38/358077838.db2.gz ABUCACUIUMLULG-JOYOIKCWSA-N 1 0 308.338 1.153 20 5 DDBDRO C[NH2+]CCOCCN(C)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000599906303 358077994 /nfs/dbraw/zinc/07/79/94/358077994.db2.gz ADKGEOBXEQGCFC-GFCCVEGCSA-N 1 0 324.381 1.533 20 5 DDBDRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000599936916 358085014 /nfs/dbraw/zinc/08/50/14/358085014.db2.gz ZGQGTYRJFGPECF-LSDHHAIUSA-N 1 0 320.393 1.919 20 5 DDBDRO O=C(NCC[N@H+]1CC[C@@H](O)C1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000600534368 358250267 /nfs/dbraw/zinc/25/02/67/358250267.db2.gz VIEDSHLOXWFURH-GFCCVEGCSA-N 1 0 319.317 1.137 20 5 DDBDRO C[NH2+]CCOCCN(C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000600731472 358299485 /nfs/dbraw/zinc/29/94/85/358299485.db2.gz SCUKVXVVSBQPRR-LBPRGKRZSA-N 1 0 324.381 1.090 20 5 DDBDRO Cc1sc(S(=O)(=O)NCC2([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000601450098 358558863 /nfs/dbraw/zinc/55/88/63/358558863.db2.gz IZHRSHKLDRFNPJ-UHFFFAOYSA-N 1 0 319.408 1.337 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000601556410 358599248 /nfs/dbraw/zinc/59/92/48/358599248.db2.gz LEQTXPUBNFIWTC-FZMZJTMJSA-N 1 0 319.361 1.818 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H]1CCC[C@@H]1CCO ZINC000348148538 283390929 /nfs/dbraw/zinc/39/09/29/283390929.db2.gz IRLIDDZPLAYBJJ-OLZOCXBDSA-N 1 0 321.377 1.982 20 5 DDBDRO CC1(C)C[NH2+]CC[C@H](NC(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000601971684 358759789 /nfs/dbraw/zinc/75/97/89/358759789.db2.gz DRWVDVAHSSIPFX-LBPRGKRZSA-N 1 0 321.377 1.868 20 5 DDBDRO C[NH+](C)[C@@H]1C[C@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)C1(C)C ZINC000602169741 358860631 /nfs/dbraw/zinc/86/06/31/358860631.db2.gz HAUWRNYJKXOEOR-NWDGAFQWSA-N 1 0 309.370 1.026 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CCC[C@H]3CCO3)CC2)cn1 ZINC000602437541 358975672 /nfs/dbraw/zinc/97/56/72/358975672.db2.gz BQGZQWHGEKPVJN-AWEZNQCLSA-N 1 0 306.366 1.681 20 5 DDBDRO C[C@@H]1CC[C@@H](NC(=O)CN(C)c2ccccc2[N+](=O)[O-])C[NH2+]1 ZINC000602556841 359043442 /nfs/dbraw/zinc/04/34/42/359043442.db2.gz WCAIMGYLOOVYLV-VXGBXAGGSA-N 1 0 306.366 1.288 20 5 DDBDRO COc1cc(C(=O)N[C@H]2CC[C@H](C)[NH2+]C2)cc([N+](=O)[O-])c1C ZINC000602557303 359044102 /nfs/dbraw/zinc/04/41/02/359044102.db2.gz ZDBRLUPGLGMBAS-CABZTGNLSA-N 1 0 307.350 1.782 20 5 DDBDRO COCCOCCC[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602509073 359019309 /nfs/dbraw/zinc/01/93/09/359019309.db2.gz BDBCPLUJKFEMJN-UHFFFAOYSA-N 1 0 309.322 1.879 20 5 DDBDRO C[C@H]1COCC[C@@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602635495 359089757 /nfs/dbraw/zinc/08/97/57/359089757.db2.gz ZCRQKNPELFSXKS-WFASDCNBSA-N 1 0 320.393 1.973 20 5 DDBDRO C[C@H](CCO)CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602672869 359117123 /nfs/dbraw/zinc/11/71/23/359117123.db2.gz RHGCVCQXXWBBQL-ZDUSSCGKSA-N 1 0 322.409 1.957 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H](N2CCCC2=O)C1 ZINC000602780652 359186540 /nfs/dbraw/zinc/18/65/40/359186540.db2.gz BHBWLTQHYLKEFO-CYBMUJFWSA-N 1 0 321.381 1.187 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CCN1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000602782545 359187212 /nfs/dbraw/zinc/18/72/12/359187212.db2.gz CSJMQSHSYFHWGH-ZIAGYGMSSA-N 1 0 307.398 1.516 20 5 DDBDRO C[C@@H](CN(C)Cc1cn(C)nc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000602687980 359126083 /nfs/dbraw/zinc/12/60/83/359126083.db2.gz SXULIVPRXYKUJM-JTQLQIEISA-N 1 0 312.370 1.738 20 5 DDBDRO CO[C@@H](C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@@H]1CCOC1 ZINC000602707379 359138380 /nfs/dbraw/zinc/13/83/80/359138380.db2.gz UUWCSKDQGLBLTR-YGRLFVJLSA-N 1 0 321.333 1.877 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000602843988 359232251 /nfs/dbraw/zinc/23/22/51/359232251.db2.gz ZSJUBFRHMHNNGK-YUTCNCBUSA-N 1 0 308.382 1.893 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 ZINC000602819416 359214140 /nfs/dbraw/zinc/21/41/40/359214140.db2.gz BGPUSIKALOJBCS-HUBLWGQQSA-N 1 0 324.381 1.368 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@H](C)OC2(CCOCC2)C1 ZINC000602823055 359217475 /nfs/dbraw/zinc/21/74/75/359217475.db2.gz VQPNNXBFFDUINY-LBPRGKRZSA-N 1 0 324.381 1.370 20 5 DDBDRO CNC(=O)CC[C@H]1CCCC[N@@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602825506 359219564 /nfs/dbraw/zinc/21/95/64/359219564.db2.gz CFQVTGNSUBDLGZ-CYBMUJFWSA-N 1 0 323.397 1.480 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCC(CCF)CC2)c1 ZINC000602948730 359315646 /nfs/dbraw/zinc/31/56/46/359315646.db2.gz DRCNYXFTRFWNFA-ZDUSSCGKSA-N 1 0 300.334 1.224 20 5 DDBDRO Cc1cc(C)n(CC[NH2+][C@](C)(CO)c2cccc([N+](=O)[O-])c2)n1 ZINC000602963291 359326500 /nfs/dbraw/zinc/32/65/00/359326500.db2.gz ULFQXXPIRDWMAW-MRXNPFEDSA-N 1 0 318.377 1.905 20 5 DDBDRO C[C@@](CO)([NH2+]CCOC1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000602963048 359326860 /nfs/dbraw/zinc/32/68/60/359326860.db2.gz SDZRJPAECPMXTD-INIZCTEOSA-N 1 0 324.377 1.588 20 5 DDBDRO Cc1c(NC(=O)CC[N@@H+]2C[C@H]3C[C@@]3(O)C2)cccc1[N+](=O)[O-] ZINC000603092733 359397602 /nfs/dbraw/zinc/39/76/02/359397602.db2.gz YYXJFDPNFUAGRE-IAQYHMDHSA-N 1 0 305.334 1.298 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1Cn1cc(CC[NH+](C)C)nn1 ZINC000603243352 359510190 /nfs/dbraw/zinc/51/01/90/359510190.db2.gz LDAVWLBYKUTQLF-UHFFFAOYSA-N 1 0 305.338 1.347 20 5 DDBDRO C[NH+](C)CCc1cn(Cc2ccc(Cl)cc2[N+](=O)[O-])nn1 ZINC000603217485 359488441 /nfs/dbraw/zinc/48/84/41/359488441.db2.gz ZXYRPGSALMWOHL-UHFFFAOYSA-N 1 0 309.757 1.992 20 5 DDBDRO COCC(=O)NC1CC[NH+](Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000603681927 359671844 /nfs/dbraw/zinc/67/18/44/359671844.db2.gz NUVKQANURDDOTA-UHFFFAOYSA-N 1 0 321.377 1.630 20 5 DDBDRO Cc1ccc(NCCCNC(=O)[C@H]2CC[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000237668434 202323591 /nfs/dbraw/zinc/32/35/91/202323591.db2.gz FRINTXWGLPYQNC-STQMWFEESA-N 1 0 320.393 1.949 20 5 DDBDRO C[C@H](NC(=O)c1[nH]nc2c1C[NH2+]CC2)c1cccc([N+](=O)[O-])c1 ZINC000188359306 200232974 /nfs/dbraw/zinc/23/29/74/200232974.db2.gz MMCZXPHWAHTCPZ-VIFPVBQESA-N 1 0 315.333 1.455 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCC1CS(=O)(=O)C1)CCC2 ZINC000618577396 363680604 /nfs/dbraw/zinc/68/06/04/363680604.db2.gz FRAVBPVXLITYOA-OAHLLOKOSA-N 1 0 324.402 1.997 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[NH+](C[C@H](C)O)CC1 ZINC000189304644 200378740 /nfs/dbraw/zinc/37/87/40/200378740.db2.gz RTVMLHFXDUKFTR-LBPRGKRZSA-N 1 0 309.366 1.102 20 5 DDBDRO Cc1ccc(C[N@@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)cc1[N+](=O)[O-] ZINC000281150305 216114036 /nfs/dbraw/zinc/11/40/36/216114036.db2.gz FKGCOCWJGUAEDM-OLZOCXBDSA-N 1 0 305.334 1.834 20 5 DDBDRO COCC[N@@H+]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])cnc2C)C1 ZINC000609268852 360285582 /nfs/dbraw/zinc/28/55/82/360285582.db2.gz GPOWWALPDFSGAM-GFCCVEGCSA-N 1 0 322.365 1.139 20 5 DDBDRO COCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2C)C1 ZINC000609269643 360285806 /nfs/dbraw/zinc/28/58/06/360285806.db2.gz UHUZLFGDZFDJOD-CYBMUJFWSA-N 1 0 321.377 1.744 20 5 DDBDRO Cc1c(C[N@@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000281199915 216148983 /nfs/dbraw/zinc/14/89/83/216148983.db2.gz CKDVLBFFISQYGN-OLZOCXBDSA-N 1 0 305.334 1.834 20 5 DDBDRO COC1CC[NH+](CCNC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000610571600 360472276 /nfs/dbraw/zinc/47/22/76/360472276.db2.gz FURAGJQVZURXCA-UHFFFAOYSA-N 1 0 307.350 1.435 20 5 DDBDRO CC[N@@H+]1CCN(C(=O)CCn2nc(C)c([N+](=O)[O-])c2C)C[C@@H]1C ZINC000611087777 360618575 /nfs/dbraw/zinc/61/85/75/360618575.db2.gz JIFXFADPXQIQHW-NSHDSACASA-N 1 0 323.397 1.351 20 5 DDBDRO O=[N+]([O-])c1ccc2ncnc(N3CC[C@H]([NH+]4CC=CC4)C3)c2c1 ZINC000611708866 360800929 /nfs/dbraw/zinc/80/09/29/360800929.db2.gz ROZKMRBWJNAJIK-ZDUSSCGKSA-N 1 0 311.345 1.989 20 5 DDBDRO Cc1ccncc1[C@H](C)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000611939628 360863036 /nfs/dbraw/zinc/86/30/36/360863036.db2.gz SAIPGHGIPLZEJM-WCQYABFASA-N 1 0 305.338 1.206 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)NCC2=CC[N@H+](C)CC2)c1 ZINC000271902338 209310103 /nfs/dbraw/zinc/31/01/03/209310103.db2.gz GVXIXURLAKOTEI-UHFFFAOYSA-N 1 0 305.334 1.595 20 5 DDBDRO COC(=O)[C@H]1CCCCCC[C@@H]1[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000360486061 306983127 /nfs/dbraw/zinc/98/31/27/306983127.db2.gz VNAHHKCNJWEYHE-RYUDHWBXSA-N 1 0 324.381 1.930 20 5 DDBDRO [NH3+][C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000422683574 283625604 /nfs/dbraw/zinc/62/56/04/283625604.db2.gz CWHLYVWCUDRLKX-JTQLQIEISA-N 1 0 300.318 1.706 20 5 DDBDRO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000619871607 364168890 /nfs/dbraw/zinc/16/88/90/364168890.db2.gz PIQLMAGXNVECCR-LBPRGKRZSA-N 1 0 322.365 1.250 20 5 DDBDRO O=c1onc(-c2ccc([N+](=O)[O-])cc2)n1CCC1CC[NH2+]CC1 ZINC000566183529 304125480 /nfs/dbraw/zinc/12/54/80/304125480.db2.gz RVCBWWIYTYOAKR-UHFFFAOYSA-N 1 0 318.333 1.801 20 5 DDBDRO C[NH2+][C@@H](C)CNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000261728703 203104039 /nfs/dbraw/zinc/10/40/39/203104039.db2.gz LIXCCUPRIWARDL-ZETCQYMHSA-N 1 0 316.155 1.695 20 5 DDBDRO COCC[NH2+]CCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000262102400 203199889 /nfs/dbraw/zinc/19/98/89/203199889.db2.gz IXCVAZMIJWSLNQ-UHFFFAOYSA-N 1 0 309.366 1.225 20 5 DDBDRO C[C@H]1[NH2+]CCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000262751702 203397906 /nfs/dbraw/zinc/39/79/06/203397906.db2.gz GPAIWIQWHDEUCB-GHMZBOCLSA-N 1 0 313.379 1.107 20 5 DDBDRO C[C@@H]1CN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC[C@@H]1[NH3+] ZINC000094340808 193361655 /nfs/dbraw/zinc/36/16/55/193361655.db2.gz WNHDRGJZKHPCCH-MFKMUULPSA-N 1 0 313.379 1.094 20 5 DDBDRO C[C@H](CC[NH+](C)C)NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000264929054 204276828 /nfs/dbraw/zinc/27/68/28/204276828.db2.gz RXJFJXDVGGYHQK-LLVKDONJSA-N 1 0 323.349 1.243 20 5 DDBDRO C[N@@H+]1C[C@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)[C@H](c2ccccc2)C1 ZINC000351486023 284336448 /nfs/dbraw/zinc/33/64/48/284336448.db2.gz LTSBOBKVIUSAIH-ZFWWWQNUSA-N 1 0 314.345 1.751 20 5 DDBDRO C[C@H](c1ccc(F)cc1)[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266416826 205331069 /nfs/dbraw/zinc/33/10/69/205331069.db2.gz HORHLHQYLUZQQV-IAQYHMDHSA-N 1 0 322.340 1.984 20 5 DDBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NC1CC[NH2+]CC1 ZINC000021511265 182276353 /nfs/dbraw/zinc/27/63/53/182276353.db2.gz VISGATKXMGJPIQ-UHFFFAOYSA-N 1 0 319.770 1.279 20 5 DDBDRO Cc1nccn1CC[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000567042635 304194182 /nfs/dbraw/zinc/19/41/82/304194182.db2.gz PAZNFFIBOWHOIZ-CYBMUJFWSA-N 1 0 320.349 1.129 20 5 DDBDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000176900822 248439173 /nfs/dbraw/zinc/43/91/73/248439173.db2.gz XMMSYGLPLIACBI-ZDUSSCGKSA-N 1 0 324.381 1.385 20 5 DDBDRO Cc1nccn1CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000336861783 249269713 /nfs/dbraw/zinc/26/97/13/249269713.db2.gz ARZQVISWZHXXCT-UHFFFAOYSA-N 1 0 307.285 1.251 20 5 DDBDRO CC[NH+]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000041873580 183223425 /nfs/dbraw/zinc/22/34/25/183223425.db2.gz XOFANOYLFLYHNF-UHFFFAOYSA-N 1 0 320.393 1.869 20 5 DDBDRO C[C@@H]([NH2+]CC(C)(C)N1CCOCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284125384 217893366 /nfs/dbraw/zinc/89/33/66/217893366.db2.gz NYPUHYJFJMDTKL-GFCCVEGCSA-N 1 0 322.409 1.938 20 5 DDBDRO CC(C)OCC[NH+]1CCC(Nc2c([N+](=O)[O-])ncn2C)CC1 ZINC000339011926 250248297 /nfs/dbraw/zinc/24/82/97/250248297.db2.gz BGHPCKXNBWPAQY-UHFFFAOYSA-N 1 0 311.386 1.630 20 5 DDBDRO C[C@H]1CCC[N@H+](CCCCNC(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000285072824 218279047 /nfs/dbraw/zinc/27/90/47/218279047.db2.gz HCYVJHLADODKSH-NSHDSACASA-N 1 0 309.370 1.560 20 5 DDBDRO Cn1c(C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)ccc1[N+](=O)[O-] ZINC000339465466 250491936 /nfs/dbraw/zinc/49/19/36/250491936.db2.gz HSGSOTCMFIXBDI-CYBMUJFWSA-N 1 0 320.393 1.737 20 5 DDBDRO COC[C@@](C)([NH3+])CNc1ncc(Br)cc1[N+](=O)[O-] ZINC000268488476 206751068 /nfs/dbraw/zinc/75/10/68/206751068.db2.gz NNXDCMIXHOLCDI-JTQLQIEISA-N 1 0 319.159 1.528 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@H]([NH+](C)C)C1 ZINC000109808333 194288200 /nfs/dbraw/zinc/28/82/00/194288200.db2.gz ZKNOSRGXCDIFNC-AWEZNQCLSA-N 1 0 320.393 1.868 20 5 DDBDRO C[NH+](C)C(C)(C)CNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000055528478 183989854 /nfs/dbraw/zinc/98/98/54/183989854.db2.gz RJXRMRLGRYMIPY-UHFFFAOYSA-N 1 0 308.382 1.853 20 5 DDBDRO C[NH2+]C[C@H]1CCN(C(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)C1 ZINC000269163481 207286132 /nfs/dbraw/zinc/28/61/32/207286132.db2.gz BGUJYHNIUOYHLH-SNVBAGLBSA-N 1 0 323.349 1.294 20 5 DDBDRO Cc1nn(CCC(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)c(C)c1[N+](=O)[O-] ZINC000269175560 207296275 /nfs/dbraw/zinc/29/62/75/207296275.db2.gz GYVYKTIVLHFWSH-GXFFZTMASA-N 1 0 323.397 1.303 20 5 DDBDRO C[NH+](C)C1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000066000279 184384358 /nfs/dbraw/zinc/38/43/58/184384358.db2.gz VIGAFOVGTAZMLM-UHFFFAOYSA-N 1 0 319.408 1.371 20 5 DDBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000066190716 184395749 /nfs/dbraw/zinc/39/57/49/184395749.db2.gz UTSNNXHARBNPSV-OAHLLOKOSA-N 1 0 318.377 1.975 20 5 DDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NCC[NH+]1CCSCC1 ZINC000352315694 284954929 /nfs/dbraw/zinc/95/49/29/284954929.db2.gz PAYQQVACWWOMES-UHFFFAOYSA-N 1 0 324.406 1.415 20 5 DDBDRO O=C1NC(=O)C2(CCC([NH2+]Cc3ccc([N+](=O)[O-])cc3)CC2)N1 ZINC000271981556 296356643 /nfs/dbraw/zinc/35/66/43/296356643.db2.gz NCCUIWCYIMKSLU-UHFFFAOYSA-N 1 0 318.333 1.205 20 5 DDBDRO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+](CCO)CC3CC3)o2)cc1 ZINC000352490797 285087804 /nfs/dbraw/zinc/08/78/04/285087804.db2.gz LIGQPXRHVIAPQB-UHFFFAOYSA-N 1 0 318.333 1.849 20 5 DDBDRO COc1ccc(CC(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000567890964 304252464 /nfs/dbraw/zinc/25/24/64/304252464.db2.gz PNBSHTYLGMLYJE-CMPLNLGQSA-N 1 0 307.350 1.260 20 5 DDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCc3ncnn3C2)c([N+](=O)[O-])c1 ZINC000194396684 285115036 /nfs/dbraw/zinc/11/50/36/285115036.db2.gz JZHHLDLMVDCUEV-SNVBAGLBSA-N 1 0 318.293 1.199 20 5 DDBDRO C[C@H]([NH2+]C[C@@H](O)c1cnn(C)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294640340 224136739 /nfs/dbraw/zinc/13/67/39/224136739.db2.gz GHIQXAKNWXQHQZ-LKFCYVNXSA-N 1 0 305.338 1.295 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000158425799 197270839 /nfs/dbraw/zinc/27/08/39/197270839.db2.gz PDZSCOORPIOVGV-INIZCTEOSA-N 1 0 318.377 1.486 20 5 DDBDRO Cc1noc([C@@H]2CCC[N@H+](CCn3cc([N+](=O)[O-])cn3)C2)n1 ZINC000157756879 197212823 /nfs/dbraw/zinc/21/28/23/197212823.db2.gz FUMLQOLTJVMEHH-LLVKDONJSA-N 1 0 306.326 1.362 20 5 DDBDRO Cc1noc([C@H]2CCC[N@H+](CCn3cc([N+](=O)[O-])cn3)C2)n1 ZINC000157757032 197212604 /nfs/dbraw/zinc/21/26/04/197212604.db2.gz FUMLQOLTJVMEHH-NSHDSACASA-N 1 0 306.326 1.362 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430927411 533137772 /nfs/dbraw/zinc/13/77/72/533137772.db2.gz QKVINQKTRMKWJZ-PWSUYJOCSA-N 1 0 322.365 1.211 20 5 DDBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)CCn3cc([N+](=O)[O-])cn3)CC[C@@H]21 ZINC000154904403 197004258 /nfs/dbraw/zinc/00/42/58/197004258.db2.gz VYMZUZPTLAMBIX-OCCSQVGLSA-N 1 0 321.381 1.124 20 5 DDBDRO O=C(CCNc1ccccc1[N+](=O)[O-])NCC1CC[NH2+]CC1 ZINC000120483924 195174793 /nfs/dbraw/zinc/17/47/93/195174793.db2.gz RYFOXULBZJSTCL-UHFFFAOYSA-N 1 0 306.366 1.513 20 5 DDBDRO CCS(=O)(=O)CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000414540524 224350861 /nfs/dbraw/zinc/35/08/61/224350861.db2.gz GPDHEJGSGNBFLK-UHFFFAOYSA-N 1 0 300.380 1.818 20 5 DDBDRO CO[C@]1(C)CCC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000331596399 533370735 /nfs/dbraw/zinc/37/07/35/533370735.db2.gz UCNSFDSJZCGBFG-ZIAGYGMSSA-N 1 0 312.370 1.043 20 5 DDBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000451629619 533327481 /nfs/dbraw/zinc/32/74/81/533327481.db2.gz KJAULPFUSAKPPH-SLEUVZQESA-N 1 0 318.377 1.558 20 5 DDBDRO COc1ccc(CNC(=O)[C@@H](C(C)C)[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000423060828 533639324 /nfs/dbraw/zinc/63/93/24/533639324.db2.gz JCALJWSKRCXKCL-HZMBPMFUSA-N 1 0 309.366 1.839 20 5 DDBDRO COc1ccc(CNC(=O)[C@H]2C[C@]23CC[NH2+]C3)cc1[N+](=O)[O-] ZINC000444156169 533645389 /nfs/dbraw/zinc/64/53/89/533645389.db2.gz KVWWWBRARKELAB-ABAIWWIYSA-N 1 0 305.334 1.219 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[C@@H](C[NH3+])C1 ZINC000178903452 291993464 /nfs/dbraw/zinc/99/34/64/291993464.db2.gz QXBZPRJFQZXMLK-NSHDSACASA-N 1 0 313.379 1.181 20 5 DDBDRO C[C@@H]1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000253177698 296561883 /nfs/dbraw/zinc/56/18/83/296561883.db2.gz BDKQAWZRDPVTRO-GHMZBOCLSA-N 1 0 313.379 1.200 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000288543855 286381290 /nfs/dbraw/zinc/38/12/90/286381290.db2.gz ANSUSGGPVCILTN-INIZCTEOSA-N 1 0 319.361 1.819 20 5 DDBDRO COc1cccc(C(=O)N[C@H](CC[NH3+])C(F)F)c1[N+](=O)[O-] ZINC000570041597 304392059 /nfs/dbraw/zinc/39/20/59/304392059.db2.gz ATODGAXZAOUIIY-MRVPVSSYSA-N 1 0 303.265 1.316 20 5 DDBDRO COc1cccc(C(=O)NCC2([NH+](C)C)CCC2)c1[N+](=O)[O-] ZINC000444377901 286443671 /nfs/dbraw/zinc/44/36/71/286443671.db2.gz ZELUEMKLLCYPLB-UHFFFAOYSA-N 1 0 307.350 1.818 20 5 DDBDRO CC[NH+]1CCC(NC(=O)c2cccc([N+](=O)[O-])c2NC)CC1 ZINC000361120925 299804019 /nfs/dbraw/zinc/80/40/19/299804019.db2.gz FDQDEWXDABKXLU-UHFFFAOYSA-N 1 0 306.366 1.851 20 5 DDBDRO NC(=O)c1ccc(C[N@@H+]2CCCC[C@@H]2CCO)c([N+](=O)[O-])c1 ZINC000072044679 406872519 /nfs/dbraw/zinc/87/25/19/406872519.db2.gz HRRSCRZAABYUGE-CYBMUJFWSA-N 1 0 307.350 1.431 20 5 DDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC(C[NH3+])CC1 ZINC000036296800 406978343 /nfs/dbraw/zinc/97/83/43/406978343.db2.gz DQFKLOGKEKOVFK-UHFFFAOYSA-N 1 0 313.379 1.263 20 5 DDBDRO CC[NH+](CC)C[C@@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000038286905 407000294 /nfs/dbraw/zinc/00/02/94/407000294.db2.gz LYUHTPHPBSOUMN-LLVKDONJSA-N 1 0 315.395 1.603 20 5 DDBDRO COc1ccc(C(=O)NC[C@H](C2CC2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000079694296 407061022 /nfs/dbraw/zinc/06/10/22/407061022.db2.gz MZNWFQIJVISQIM-CYBMUJFWSA-N 1 0 307.350 1.673 20 5 DDBDRO Cc1nn(C)c(NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1[N+](=O)[O-] ZINC000051649967 407142465 /nfs/dbraw/zinc/14/24/65/407142465.db2.gz SVILUDKIEIQYDL-GHMZBOCLSA-N 1 0 311.386 1.548 20 5 DDBDRO O=C1NCCN1C1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000053285654 407166840 /nfs/dbraw/zinc/16/68/40/407166840.db2.gz YJKKVGKPLLHEFW-UHFFFAOYSA-N 1 0 318.377 1.627 20 5 DDBDRO Cc1cnc([C@@H](C)[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)s1 ZINC000124395976 407357127 /nfs/dbraw/zinc/35/71/27/407357127.db2.gz GRRUOMOMMHTQQB-MWLCHTKSSA-N 1 0 311.367 1.268 20 5 DDBDRO C[NH+](C)CCN(Cc1ccccn1)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000107263395 407371822 /nfs/dbraw/zinc/37/18/22/407371822.db2.gz REKANCUFXSTWOG-UHFFFAOYSA-N 1 0 318.333 1.787 20 5 DDBDRO CC[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000270967019 407441870 /nfs/dbraw/zinc/44/18/70/407441870.db2.gz VTLDDFAQAVVHFE-BXUZGUMPSA-N 1 0 307.350 1.626 20 5 DDBDRO C[NH+](C)CCN(C(=O)Cn1ccc([N+](=O)[O-])n1)C1CCCC1 ZINC000112915824 407445876 /nfs/dbraw/zinc/44/58/76/407445876.db2.gz PENWSOKRPWNFQE-UHFFFAOYSA-N 1 0 309.370 1.124 20 5 DDBDRO C[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@H]1CCOC1 ZINC000128579517 407552326 /nfs/dbraw/zinc/55/23/26/407552326.db2.gz XRYLBFMZEALRGU-NSHDSACASA-N 1 0 311.313 1.783 20 5 DDBDRO C[NH2+][C@@H]1CCCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000261710365 407588195 /nfs/dbraw/zinc/58/81/95/407588195.db2.gz HDNXDYDCCVECPU-GFCCVEGCSA-N 1 0 317.349 1.829 20 5 DDBDRO C[C@H]([NH2+]CC(=O)NCC(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000178647086 407527600 /nfs/dbraw/zinc/52/76/00/407527600.db2.gz HYTXBTWEEIIIAI-QMMMGPOBSA-N 1 0 305.256 1.924 20 5 DDBDRO CC[C@H]1CN(c2cc(OC)ccc2[N+](=O)[O-])CC[N@@H+]1C[C@H](C)O ZINC000266397159 407537308 /nfs/dbraw/zinc/53/73/08/407537308.db2.gz OXUDAIOITGXYOQ-STQMWFEESA-N 1 0 323.393 1.885 20 5 DDBDRO C[C@H]([NH3+])C1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000178812974 407611600 /nfs/dbraw/zinc/61/16/00/407611600.db2.gz CRKFSHRIHAQEAG-VIFPVBQESA-N 1 0 317.349 1.671 20 5 DDBDRO C[C@@H]([NH3+])C1CCN(C(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000178828326 407615596 /nfs/dbraw/zinc/61/55/96/407615596.db2.gz XRHBKHHTOZEGAZ-LLVKDONJSA-N 1 0 307.350 1.559 20 5 DDBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000266758726 407626055 /nfs/dbraw/zinc/62/60/55/407626055.db2.gz GUPCUFICYSYZNT-CQSZACIVSA-N 1 0 320.393 1.921 20 5 DDBDRO C[NH+]1CCC(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000129908422 407632829 /nfs/dbraw/zinc/63/28/29/407632829.db2.gz UOURSPDERUMPJW-UHFFFAOYSA-N 1 0 302.334 1.900 20 5 DDBDRO C[C@H]1C[NH2+]CCN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000261897133 407660447 /nfs/dbraw/zinc/66/04/47/407660447.db2.gz VDMGTWUPSVYCFM-JTQLQIEISA-N 1 0 303.322 1.439 20 5 DDBDRO C[NH2+]C[C@H]1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000178972912 407679660 /nfs/dbraw/zinc/67/96/60/407679660.db2.gz BFBPYIXQPYEIFK-GFCCVEGCSA-N 1 0 306.366 1.465 20 5 DDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186496692 407683237 /nfs/dbraw/zinc/68/32/37/407683237.db2.gz CWBDIPOKWBLIHZ-ZDUSSCGKSA-N 1 0 303.362 1.880 20 5 DDBDRO C[NH+]1CCC(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 ZINC000266960684 407691884 /nfs/dbraw/zinc/69/18/84/407691884.db2.gz WBQSOYUKAJNMTA-UHFFFAOYSA-N 1 0 302.334 1.900 20 5 DDBDRO O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171584489 407711489 /nfs/dbraw/zinc/71/14/89/407711489.db2.gz NBTVRIHNBQAFBW-NPQIQWPPSA-N 1 0 301.346 1.915 20 5 DDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000235374121 407719810 /nfs/dbraw/zinc/71/98/10/407719810.db2.gz OKNRATRWQDDADT-MWLCHTKSSA-N 1 0 313.379 1.322 20 5 DDBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3F)C[C@@H]21 ZINC000262068326 407728162 /nfs/dbraw/zinc/72/81/62/407728162.db2.gz FVGOCVPNNQQEPJ-LJWDBELGSA-N 1 0 307.325 1.933 20 5 DDBDRO CC(C)[NH2+]C1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000171689734 407740627 /nfs/dbraw/zinc/74/06/27/407740627.db2.gz JNESNYFITSYFCZ-UHFFFAOYSA-N 1 0 320.393 1.656 20 5 DDBDRO CC(C)COC[C@@H](O)CN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153140632 407762920 /nfs/dbraw/zinc/76/29/20/407762920.db2.gz UARRHIGTNAZYDN-AWEZNQCLSA-N 1 0 308.378 1.986 20 5 DDBDRO CN(CC[N@H+](C)C1CC1)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000186779784 407769326 /nfs/dbraw/zinc/76/93/26/407769326.db2.gz ZSQVKANIAPZPIT-UHFFFAOYSA-N 1 0 320.393 1.584 20 5 DDBDRO CCOc1ccc(C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)cc1[N+](=O)[O-] ZINC000153659142 407871774 /nfs/dbraw/zinc/87/17/74/407871774.db2.gz YXVLOXBYELDIFB-PHIMTYICSA-N 1 0 307.350 1.816 20 5 DDBDRO CC[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000117982756 407874703 /nfs/dbraw/zinc/87/47/03/407874703.db2.gz BSIXMGMMMKRNPE-UHFFFAOYSA-N 1 0 310.310 1.493 20 5 DDBDRO CN(CC[NH+](C)C)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000268142779 407909013 /nfs/dbraw/zinc/90/90/13/407909013.db2.gz NIHSCJOIEGAPKL-UHFFFAOYSA-N 1 0 314.773 1.951 20 5 DDBDRO CN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C[C@H]1CCC[N@H+](C)C1 ZINC000118841579 407955208 /nfs/dbraw/zinc/95/52/08/407955208.db2.gz RZPPKMJOWJODGK-LBPRGKRZSA-N 1 0 320.393 1.467 20 5 DDBDRO CSC[C@@H](O)C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000188067383 407915727 /nfs/dbraw/zinc/91/57/27/407915727.db2.gz QANAIYGPYLXJFD-JQWIXIFHSA-N 1 0 312.395 1.200 20 5 DDBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000268162282 407923016 /nfs/dbraw/zinc/92/30/16/407923016.db2.gz CZEFGTNBLRUUKA-BXUZGUMPSA-N 1 0 303.362 1.736 20 5 DDBDRO C[C@H]1C[C@@H](NC(=O)CCNc2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000262795769 407932887 /nfs/dbraw/zinc/93/28/87/407932887.db2.gz DOZXMIJDXYOBLK-RYUDHWBXSA-N 1 0 306.366 1.654 20 5 DDBDRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000153962724 407943223 /nfs/dbraw/zinc/94/32/23/407943223.db2.gz TZMOLVKYLBOCPY-HNNXBMFYSA-N 1 0 305.378 1.936 20 5 DDBDRO Cc1cc(C2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)[nH]n1 ZINC000273039241 408030055 /nfs/dbraw/zinc/03/00/55/408030055.db2.gz WHMDDLPXWGIKMS-UHFFFAOYSA-N 1 0 304.354 1.702 20 5 DDBDRO CCN1CC[NH+](C[C@H](C)CNc2ccc([N+](=O)[O-])c(C)n2)CC1 ZINC000268431889 408041370 /nfs/dbraw/zinc/04/13/70/408041370.db2.gz BGJRRIPLDLQPCI-CYBMUJFWSA-N 1 0 321.425 1.984 20 5 DDBDRO COCc1cc([N+](=O)[O-])ccc1NCC1CC[NH+](CCO)CC1 ZINC000175100474 408049824 /nfs/dbraw/zinc/04/98/24/408049824.db2.gz KDWUPWGPXQXIMD-UHFFFAOYSA-N 1 0 323.393 1.857 20 5 DDBDRO C[C@@H](CNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1)[NH+](C)C ZINC000272561460 407986257 /nfs/dbraw/zinc/98/62/57/407986257.db2.gz PVQLYTGOTVGJHF-ZETCQYMHSA-N 1 0 309.351 1.279 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(N)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000272596235 408001996 /nfs/dbraw/zinc/00/19/96/408001996.db2.gz IMISXLNLOUTTKI-QMTHXVAHSA-N 1 0 304.350 1.343 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000189320449 408006548 /nfs/dbraw/zinc/00/65/48/408006548.db2.gz JGVKALQQPHTUMH-JQWIXIFHSA-N 1 0 313.379 1.322 20 5 DDBDRO COCCOC1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000154328019 408022024 /nfs/dbraw/zinc/02/20/24/408022024.db2.gz KRPMZFPZIOHFJL-MRXNPFEDSA-N 1 0 324.377 1.756 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)CC1(CO)CC1 ZINC000190031890 408151267 /nfs/dbraw/zinc/15/12/67/408151267.db2.gz WBOQRDVOJGWPSQ-UHFFFAOYSA-N 1 0 321.377 1.936 20 5 DDBDRO C[NH+](C)CC1(CNc2ncc([N+](=O)[O-])cc2C(N)=O)CCCC1 ZINC000273545177 408239569 /nfs/dbraw/zinc/23/95/69/408239569.db2.gz XQEPTZDRVQFSEW-UHFFFAOYSA-N 1 0 321.381 1.623 20 5 DDBDRO CC[NH+]1CCN(C[C@@H](C)CNc2ncc([N+](=O)[O-])cn2)CC1 ZINC000273587494 408257036 /nfs/dbraw/zinc/25/70/36/408257036.db2.gz GTGAEZVOYRTFHY-LBPRGKRZSA-N 1 0 308.386 1.070 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)C[C@H]1CCN(C(C)=O)C1 ZINC000156522995 408261742 /nfs/dbraw/zinc/26/17/42/408261742.db2.gz CXHYPRISOWDQAD-CYBMUJFWSA-N 1 0 321.377 1.904 20 5 DDBDRO Cn1ccnc1CC1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176233675 408317942 /nfs/dbraw/zinc/31/79/42/408317942.db2.gz MBJCIABMMSMAFB-UHFFFAOYSA-N 1 0 318.381 1.480 20 5 DDBDRO CC[NH+](CC)[C@H]1CCN(C(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])C1 ZINC000269481616 408323205 /nfs/dbraw/zinc/32/32/05/408323205.db2.gz KITZUAOVXDLMHN-NSHDSACASA-N 1 0 323.397 1.998 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000269387387 408292048 /nfs/dbraw/zinc/29/20/48/408292048.db2.gz LCXLXWTZXXACFI-JTQLQIEISA-N 1 0 307.354 1.362 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000171449031 162219139 /nfs/dbraw/zinc/21/91/39/162219139.db2.gz VQVKVUMPZWAILU-CQSZACIVSA-N 1 0 319.361 1.670 20 5 DDBDRO CC[NH+](CC)[C@H]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000173842728 162370805 /nfs/dbraw/zinc/37/08/05/162370805.db2.gz LTUNTJJNMKABJP-AWEZNQCLSA-N 1 0 320.393 1.610 20 5 DDBDRO Cc1cccc(C(=O)N2CCN(C[C@H](C)O)[C@H](C)C2)c1[N+](=O)[O-] ZINC000246940322 408372175 /nfs/dbraw/zinc/37/21/75/408372175.db2.gz ZZXFMGHAUDDOJS-OLZOCXBDSA-N 1 0 321.377 1.430 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1CNCC[N@H+](CC)CCO ZINC000274433115 408403931 /nfs/dbraw/zinc/40/39/31/408403931.db2.gz SLHGXBLVLCWONR-UHFFFAOYSA-N 1 0 311.382 1.397 20 5 DDBDRO CN(C)c1cccc(C[N@H+](C)CCn2cc([N+](=O)[O-])cn2)c1 ZINC000159810932 408436268 /nfs/dbraw/zinc/43/62/68/408436268.db2.gz OGJUSUNSWRYYIU-UHFFFAOYSA-N 1 0 303.366 1.989 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)n1 ZINC000191772709 408489431 /nfs/dbraw/zinc/48/94/31/408489431.db2.gz CYNJYGWUYIRUAQ-LLVKDONJSA-N 1 0 309.370 1.273 20 5 DDBDRO C[NH+](C)C1CCN(CCNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000177118386 408525350 /nfs/dbraw/zinc/52/53/50/408525350.db2.gz FBGCTSUTLKXSDR-UHFFFAOYSA-N 1 0 320.393 1.351 20 5 DDBDRO C[C@H]1C[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)C[N@@H+]1C1CC1 ZINC000177131105 408529189 /nfs/dbraw/zinc/52/91/89/408529189.db2.gz IPPDAVNWHXXDAH-WCQYABFASA-N 1 0 303.362 1.879 20 5 DDBDRO C[C@H](Cn1cccn1)[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000265106022 408553066 /nfs/dbraw/zinc/55/30/66/408553066.db2.gz YCMIXZBWYJPIMF-LLVKDONJSA-N 1 0 303.322 1.408 20 5 DDBDRO CC1(C)C[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC[C@H]1O ZINC000275543103 408595648 /nfs/dbraw/zinc/59/56/48/408595648.db2.gz ZFKCGJCLFBREOE-IUODEOHRSA-N 1 0 324.377 1.427 20 5 DDBDRO Cc1ccc(NCCCNC(=O)[C@@H](C)[C@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000192065487 408537457 /nfs/dbraw/zinc/53/74/57/408537457.db2.gz GJKGBMKXUHXVDD-RYUDHWBXSA-N 1 0 308.382 1.805 20 5 DDBDRO COc1cc(N2CC[N@H+](C[C@@H](C)O)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000192795124 408648719 /nfs/dbraw/zinc/64/87/19/408648719.db2.gz OHIPZHYPJABUSW-VXGBXAGGSA-N 1 0 309.366 1.495 20 5 DDBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000249256514 408706581 /nfs/dbraw/zinc/70/65/81/408706581.db2.gz HKTYHIWUIFHJQR-XHDPSFHLSA-N 1 0 318.377 1.733 20 5 DDBDRO Cn1cc([N+](=O)[O-])c(C(=O)NCC[N@H+](C)Cc2ccccc2)n1 ZINC000270904578 408733973 /nfs/dbraw/zinc/73/39/73/408733973.db2.gz AINBKNYBBKXQNN-UHFFFAOYSA-N 1 0 317.349 1.190 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCCC[C@H]1CO ZINC000249515285 408734792 /nfs/dbraw/zinc/73/47/92/408734792.db2.gz BZMPORYJMHIJSV-QWHCGFSZSA-N 1 0 310.350 1.181 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C)[C@H]1CCOC1 ZINC000162799554 408736485 /nfs/dbraw/zinc/73/64/85/408736485.db2.gz ZIPOCKJQFDIFHY-MNOVXSKESA-N 1 0 323.349 1.557 20 5 DDBDRO C[C@@H]1C[C@@H](O)C[C@H](C)[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000249078344 408685537 /nfs/dbraw/zinc/68/55/37/408685537.db2.gz SEQAWAMGMUYOIR-AYRXBEOTSA-N 1 0 324.377 1.568 20 5 DDBDRO O=C1CCCN1[C@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000270827426 408696795 /nfs/dbraw/zinc/69/67/95/408696795.db2.gz CDHJAPFWEPRQCH-AWEZNQCLSA-N 1 0 319.361 1.670 20 5 DDBDRO C[NH+](C)[C@H](CNC(=O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000193135658 408700437 /nfs/dbraw/zinc/70/04/37/408700437.db2.gz YOCCVIRXDZJEOF-CQSZACIVSA-N 1 0 317.349 1.210 20 5 DDBDRO CC(C)[N@H+]1C[C@H](NC(=O)c2cc([N+](=O)[O-])cnc2N)[C@@H](C)C1 ZINC000185309836 408794709 /nfs/dbraw/zinc/79/47/09/408794709.db2.gz MXOZXUWPJWJYAP-CABZTGNLSA-N 1 0 307.354 1.031 20 5 DDBDRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000195085946 408811684 /nfs/dbraw/zinc/81/16/84/408811684.db2.gz JGXDKWKLDDBWBZ-NSHDSACASA-N 1 0 324.381 1.936 20 5 DDBDRO CCS(=O)(=O)CC[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000163496210 408778948 /nfs/dbraw/zinc/77/89/48/408778948.db2.gz BXRHUZJIFKILEP-LLVKDONJSA-N 1 0 300.380 1.989 20 5 DDBDRO CCS(=O)(=O)CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000163505410 408780157 /nfs/dbraw/zinc/78/01/57/408780157.db2.gz WFNZHRHTAAAXDK-LLVKDONJSA-N 1 0 300.380 1.989 20 5 DDBDRO CN(CC(=O)N1CC[NH+]2CCC1CC2)c1ccccc1[N+](=O)[O-] ZINC000188657713 163062400 /nfs/dbraw/zinc/06/24/00/163062400.db2.gz LDKNYFVXSAJOPN-UHFFFAOYSA-N 1 0 318.377 1.338 20 5 DDBDRO O=C(CNc1ccccc1[N+](=O)[O-])N1CC[NH+]2CCC1CC2 ZINC000188860801 163074018 /nfs/dbraw/zinc/07/40/18/163074018.db2.gz CCTKLZBKHRFUJQ-UHFFFAOYSA-N 1 0 304.350 1.313 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCC([C@H]3CCCO3)CC2)c1 ZINC000189162929 163087011 /nfs/dbraw/zinc/08/70/11/163087011.db2.gz VOWSWOGUPFORNH-LSDHHAIUSA-N 1 0 324.381 1.043 20 5 DDBDRO C[C@H]1C[C@H](N2CCOCC2)C[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000286071923 408918559 /nfs/dbraw/zinc/91/85/59/408918559.db2.gz RWIARSIEYIOKTP-ZFWWWQNUSA-N 1 0 305.378 1.890 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000277343898 408923755 /nfs/dbraw/zinc/92/37/55/408923755.db2.gz SRPJGGKNSBYGMH-LBPRGKRZSA-N 1 0 309.370 1.042 20 5 DDBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@H]1CCC[N@@H+]1CCOC ZINC000192561864 163226928 /nfs/dbraw/zinc/22/69/28/163226928.db2.gz QJLYZYOFXGIEJS-GFCCVEGCSA-N 1 0 311.386 1.642 20 5 DDBDRO COC(=O)c1cc(C(=O)NC[C@H]2CCC[N@@H+]2C)cc([N+](=O)[O-])c1 ZINC000194733988 163296074 /nfs/dbraw/zinc/29/60/74/163296074.db2.gz BWJAWHJZWVXONC-GFCCVEGCSA-N 1 0 321.333 1.205 20 5 DDBDRO C[C@H](O)C[N@@H+]1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H]1C ZINC000277482193 408948102 /nfs/dbraw/zinc/94/81/02/408948102.db2.gz CPGBAXREHGDQDY-QWRGUYRKSA-N 1 0 319.365 1.362 20 5 DDBDRO C[C@@H]1C[C@H](N2CCOCC2)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000286223737 408945108 /nfs/dbraw/zinc/94/51/08/408945108.db2.gz YVIGNNKPZVQCDH-CJNGLKHVSA-N 1 0 305.378 1.890 20 5 DDBDRO [NH3+]C1(CNC(=O)CCn2cc([N+](=O)[O-])cn2)CCCCCC1 ZINC000237824651 163390083 /nfs/dbraw/zinc/39/00/83/163390083.db2.gz FDIBOALKIHPCOU-UHFFFAOYSA-N 1 0 309.370 1.349 20 5 DDBDRO C[N@@H+]1CC[C@@]2(CCN(Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)C1 ZINC000292073889 408974555 /nfs/dbraw/zinc/97/45/55/408974555.db2.gz DVEUVNAISZXJPD-MRXNPFEDSA-N 1 0 318.377 1.221 20 5 DDBDRO Cc1ccc(C(=O)N[C@H](CO)C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000288132630 409151252 /nfs/dbraw/zinc/15/12/52/409151252.db2.gz AXGHREWJZLUPNG-AWEZNQCLSA-N 1 0 321.377 1.480 20 5 DDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])[C@@H]1CCC[N@@H+]1C1CC1 ZINC000279231742 409175117 /nfs/dbraw/zinc/17/51/17/409175117.db2.gz RLXPGRAMGNLHQB-HNNXBMFYSA-N 1 0 303.362 1.880 20 5 DDBDRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000283597797 409183606 /nfs/dbraw/zinc/18/36/06/409183606.db2.gz XZXHYEKADYDQED-SNVBAGLBSA-N 1 0 324.356 1.920 20 5 DDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000289249689 409237714 /nfs/dbraw/zinc/23/77/14/409237714.db2.gz NLYJEBOFJFDWHG-XYPYZODXSA-N 1 0 306.366 1.672 20 5 DDBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000280463452 409315894 /nfs/dbraw/zinc/31/58/94/409315894.db2.gz FUVYPUHMVFLARJ-ZDUSSCGKSA-N 1 0 321.377 1.883 20 5 DDBDRO CC[C@H]([NH3+])CNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000295212989 409379120 /nfs/dbraw/zinc/37/91/20/409379120.db2.gz LUNGMCQIROSFHX-JTQLQIEISA-N 1 0 315.757 1.871 20 5 DDBDRO CC[C@H](C)[NH+]1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000295958490 409384141 /nfs/dbraw/zinc/38/41/41/409384141.db2.gz JEUNAWXSGVBCJM-JTQLQIEISA-N 1 0 307.354 1.009 20 5 DDBDRO C[C@@H]1[C@H](O)CCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000296095418 409429363 /nfs/dbraw/zinc/42/93/63/409429363.db2.gz HPYZSVHGXGFRKE-MBNYWOFBSA-N 1 0 310.350 1.180 20 5 DDBDRO CCC(=O)N1CC[C@@H]([NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000285451492 409448808 /nfs/dbraw/zinc/44/88/08/409448808.db2.gz ZMDAXFCIGKAQGO-ZYHUDNBSSA-N 1 0 306.366 1.839 20 5 DDBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000320042348 164040586 /nfs/dbraw/zinc/04/05/86/164040586.db2.gz YCTJHUXKIQDTBD-IVDJAJHCSA-N 1 0 301.346 1.676 20 5 DDBDRO CCO[C@@H]1C[C@]([NH3+])(C(=O)NCc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000186737227 306718002 /nfs/dbraw/zinc/71/80/02/306718002.db2.gz XGXWQVJTABIEHT-CJNGLKHVSA-N 1 0 321.377 1.744 20 5 DDBDRO O=[N+]([O-])c1ccc2oc(CN3CC[C@]4(CC[NH2+]C4)C3)nc2c1 ZINC000360571009 164150014 /nfs/dbraw/zinc/15/00/14/164150014.db2.gz SULCWLFDMOLEOG-HNNXBMFYSA-N 1 0 302.334 1.921 20 5 DDBDRO CC(C)[N@@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C[C@@H](C)O ZINC000303989108 409560997 /nfs/dbraw/zinc/56/09/97/409560997.db2.gz KJPVPQOYTVXXDL-GFCCVEGCSA-N 1 0 309.366 1.649 20 5 DDBDRO CCOC[C@@H](C)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000342302231 409570324 /nfs/dbraw/zinc/57/03/24/409570324.db2.gz FGEMRKBBQFLQSH-LLVKDONJSA-N 1 0 316.379 1.383 20 5 DDBDRO C[C@@H]1[C@H](C)N(C(=O)Cc2ccc([N+](=O)[O-])cc2F)CC[N@H+]1C ZINC000356867442 409676967 /nfs/dbraw/zinc/67/69/67/409676967.db2.gz YRBZYJRZROCSEU-MNOVXSKESA-N 1 0 309.341 1.827 20 5 DDBDRO C[C@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000356867665 409679011 /nfs/dbraw/zinc/67/90/11/409679011.db2.gz MUOZBMXCIJRVAA-RYUDHWBXSA-N 1 0 307.350 1.938 20 5 DDBDRO CC(C)(C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1)n1cc([N+](=O)[O-])cn1 ZINC000342703417 409827234 /nfs/dbraw/zinc/82/72/34/409827234.db2.gz DTUNAMBWNDSJOS-DRZSPHRISA-N 1 0 321.381 1.112 20 5 DDBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])n2C)C[C@H]1C ZINC000354439075 409855149 /nfs/dbraw/zinc/85/51/49/409855149.db2.gz UXKSYRABUQQWQD-VXGBXAGGSA-N 1 0 308.382 1.878 20 5 DDBDRO C[C@@H](C(=O)NC[C@](C)(O)C[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000320158947 409904211 /nfs/dbraw/zinc/90/42/11/409904211.db2.gz HUSLGYJJHFGRMD-ABAIWWIYSA-N 1 0 309.366 1.127 20 5 DDBDRO CNc1ccc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000317099092 409861667 /nfs/dbraw/zinc/86/16/67/409861667.db2.gz BIAQNKFBILJHQE-CMPLNLGQSA-N 1 0 306.366 1.849 20 5 DDBDRO C[C@@H]1[C@H]([NH3+])CCCN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000297295112 409896855 /nfs/dbraw/zinc/89/68/55/409896855.db2.gz DMMWQHSCSNIJGE-VXGBXAGGSA-N 1 0 306.366 1.735 20 5 DDBDRO CCN(CC[NH+]1CCCCCC1)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000346301578 409898743 /nfs/dbraw/zinc/89/87/43/409898743.db2.gz QIIKXCWNENNABH-UHFFFAOYSA-N 1 0 323.397 1.516 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H]1CCC[N@H+]1C ZINC000357663688 410171978 /nfs/dbraw/zinc/17/19/78/410171978.db2.gz LZSLZOLLHHSKLM-GFCCVEGCSA-N 1 0 313.379 1.276 20 5 DDBDRO COCC[NH+]1CCN(Cc2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000351970481 410382802 /nfs/dbraw/zinc/38/28/02/410382802.db2.gz CTNODAMHHHNLCF-UHFFFAOYSA-N 1 0 309.366 1.367 20 5 DDBDRO O=C1[C@@H]([N@@H+]2CCC[C@H](O)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000339782699 410459428 /nfs/dbraw/zinc/45/94/28/410459428.db2.gz HESNXNCXLGUGCK-GJZGRUSLSA-N 1 0 319.361 1.547 20 5 DDBDRO C[C@@H]1[C@@H](NC(=O)CN(C)c2ccccc2[N+](=O)[O-])CCC[N@@H+]1C ZINC000343472007 410477881 /nfs/dbraw/zinc/47/78/81/410477881.db2.gz ZGDWPQBAXGHDIO-OLZOCXBDSA-N 1 0 320.393 1.630 20 5 DDBDRO O=[N+]([O-])c1cnccc1NCC1([NH+]2CCCC2)CCOCC1 ZINC000355310275 410430788 /nfs/dbraw/zinc/43/07/88/410430788.db2.gz LILRPORKDUNCIB-UHFFFAOYSA-N 1 0 306.366 1.469 20 5 DDBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2c([N+](=O)[O-])cnn2C)C[C@@H]1C ZINC000347534900 410601542 /nfs/dbraw/zinc/60/15/42/410601542.db2.gz ZSUSDZOMYRKDBF-QWRGUYRKSA-N 1 0 309.370 1.273 20 5 DDBDRO COc1ccc(CSCC(=O)N[C@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000347668910 410665481 /nfs/dbraw/zinc/66/54/81/410665481.db2.gz LRCMHGVJWGIUFR-SECBINFHSA-N 1 0 313.379 1.300 20 5 DDBDRO CCC[NH+]1CCC(NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC1 ZINC000330459520 410709930 /nfs/dbraw/zinc/70/99/30/410709930.db2.gz QEGXBZYTVWXDSE-UHFFFAOYSA-N 1 0 323.397 1.517 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)C1(CO)CC1 ZINC000353017500 410736932 /nfs/dbraw/zinc/73/69/32/410736932.db2.gz CQEKYTIYRXKEOH-UHFFFAOYSA-N 1 0 323.349 1.389 20 5 DDBDRO COc1cc(CN2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000337375110 410745404 /nfs/dbraw/zinc/74/54/04/410745404.db2.gz ZVPPBUKJRAWFPF-QWHCGFSZSA-N 1 0 323.393 1.490 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC[C@H]2c2ccccc2)c1 ZINC000353046449 410755400 /nfs/dbraw/zinc/75/54/00/410755400.db2.gz AROHVGADWQJTLB-GJZGRUSLSA-N 1 0 302.334 1.599 20 5 DDBDRO CC[N@@H+]1C[C@H](C)N(CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000330569430 410784121 /nfs/dbraw/zinc/78/41/21/410784121.db2.gz MCUIDYLCPHOQLE-STQMWFEESA-N 1 0 320.393 1.948 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000330572849 410787391 /nfs/dbraw/zinc/78/73/91/410787391.db2.gz DTAOXANNMQNKOY-QWHCGFSZSA-N 1 0 320.393 1.866 20 5 DDBDRO CC[NH+](CC)CC1CCN(C(=O)c2c([N+](=O)[O-])cnn2C)CC1 ZINC000330575389 410791981 /nfs/dbraw/zinc/79/19/81/410791981.db2.gz PVOAVXVXHZABGN-UHFFFAOYSA-N 1 0 323.397 1.522 20 5 DDBDRO Cc1c(CC(=O)N2CC[N@@H+](C)[C@@H](C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000330628563 410837386 /nfs/dbraw/zinc/83/73/86/410837386.db2.gz LSAIBLVRRMKWLC-QWHCGFSZSA-N 1 0 305.378 1.997 20 5 DDBDRO Cc1c(NC(=O)CCN(C)[C@@H](C[NH3+])C2CC2)cccc1[N+](=O)[O-] ZINC000359884508 410934503 /nfs/dbraw/zinc/93/45/03/410934503.db2.gz WNXJSVILLBKUPY-HNNXBMFYSA-N 1 0 320.393 1.901 20 5 DDBDRO CN(C(=O)C[N@@H+]1C[C@@H]2CC[C@@H](O)[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000344085597 410946554 /nfs/dbraw/zinc/94/65/54/410946554.db2.gz SLPDWASCHPXQQN-TUKIKUTGSA-N 1 0 319.361 1.260 20 5 DDBDRO C[NH+](C)CC1CCN(c2cccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000341720004 411052911 /nfs/dbraw/zinc/05/29/11/411052911.db2.gz FRTOSXPVLIRMQP-UHFFFAOYSA-N 1 0 306.366 1.472 20 5 DDBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])nn1C)[NH+]1CCC(C)CC1 ZINC000356458748 411041019 /nfs/dbraw/zinc/04/10/19/411041019.db2.gz PBFJGSRACFMPAX-NSHDSACASA-N 1 0 309.370 1.179 20 5 DDBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000356606234 411103818 /nfs/dbraw/zinc/10/38/18/411103818.db2.gz VSGVTOIFSSXCHE-LLVKDONJSA-N 1 0 311.386 1.661 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])c(N[C@@H](CO)C[NH+]2CCCCC2)n1 ZINC000580155774 422894384 /nfs/dbraw/zinc/89/43/84/422894384.db2.gz FQICLZMEXMKBPS-CYBMUJFWSA-N 1 0 308.382 1.865 20 5 DDBDRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(F)cc1[N+](=O)[O-] ZINC000132503784 196260310 /nfs/dbraw/zinc/26/03/10/196260310.db2.gz BHGAEKZUNHXSMU-JTQLQIEISA-N 1 0 307.325 1.948 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000417172060 225231228 /nfs/dbraw/zinc/23/12/28/225231228.db2.gz FHPYGSFMZZLXFN-JQWIXIFHSA-N 1 0 322.365 1.543 20 5 DDBDRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000417762100 225427592 /nfs/dbraw/zinc/42/75/92/225427592.db2.gz IGNUVCVVQYMDKX-RYUDHWBXSA-N 1 0 306.366 1.516 20 5 DDBDRO CN(C)C(=O)O[C@@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000296776092 226220487 /nfs/dbraw/zinc/22/04/87/226220487.db2.gz PYVCSRWNPPBLFU-CQSZACIVSA-N 1 0 323.349 1.746 20 5 DDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360571447 418467063 /nfs/dbraw/zinc/46/70/63/418467063.db2.gz UULXMJRDEWEVHJ-MLGOLLRUSA-N 1 0 318.377 1.607 20 5 DDBDRO CC1(C)C[N@H+](CCn2cc([N+](=O)[O-])cn2)C[C@@]2(CCOC2)O1 ZINC000366597764 418494248 /nfs/dbraw/zinc/49/42/48/418494248.db2.gz VDYMIOUNMVACLX-CQSZACIVSA-N 1 0 310.354 1.061 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)C[NH+]2CCCCC2)n1 ZINC000191770619 222108678 /nfs/dbraw/zinc/10/86/78/222108678.db2.gz VQRJENMPPUTQGL-NSHDSACASA-N 1 0 309.370 1.415 20 5 DDBDRO COCCOC[C@H](O)C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000295421461 418586132 /nfs/dbraw/zinc/58/61/32/418586132.db2.gz YFHSXLARNGBGMO-CQSZACIVSA-N 1 0 312.366 1.093 20 5 DDBDRO CN(CC(=O)N[C@H]1CC12CC[NH2+]CC2)c1ccccc1[N+](=O)[O-] ZINC000368137482 418694902 /nfs/dbraw/zinc/69/49/02/418694902.db2.gz AGHYKKZVHOLEOU-AWEZNQCLSA-N 1 0 318.377 1.289 20 5 DDBDRO CCO[C@H]1COCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000362019683 418740291 /nfs/dbraw/zinc/74/02/91/418740291.db2.gz VOSBJXDNBKUJSD-HIFRSBDPSA-N 1 0 310.350 1.887 20 5 DDBDRO C[C@H]1CCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])[C@@H](C)[C@H]1[NH3+] ZINC000297422391 227144047 /nfs/dbraw/zinc/14/40/47/227144047.db2.gz RXFKQHAYYOHZBV-MKBNYLNASA-N 1 0 320.393 1.615 20 5 DDBDRO C[C@@H](CO)[N@@H+]1CCCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000364985495 418829248 /nfs/dbraw/zinc/82/92/48/418829248.db2.gz QYMHSAMEYILDQI-JTQLQIEISA-N 1 0 315.320 1.766 20 5 DDBDRO O=C(CC[N@H+]1CC[C@@](O)(C2CC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000365106187 418838271 /nfs/dbraw/zinc/83/82/71/418838271.db2.gz CKTBLABIQDJKRP-INIZCTEOSA-N 1 0 319.361 1.770 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@H]2c3ccccc3CC[C@H]2CO)n1 ZINC000365268473 418847643 /nfs/dbraw/zinc/84/76/43/418847643.db2.gz PMQOJHMPHHDWMM-XJKSGUPXSA-N 1 0 316.361 1.677 20 5 DDBDRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@H]1C[C@@H]1[N+](=O)[O-] ZINC000372839446 418907959 /nfs/dbraw/zinc/90/79/59/418907959.db2.gz OOYWVLVNBPGOQL-GJZGRUSLSA-N 1 0 318.377 1.422 20 5 DDBDRO [NH3+]C[C@H]1CC[C@@H](C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)O1 ZINC000423857654 227749248 /nfs/dbraw/zinc/74/92/48/227749248.db2.gz YTIHTPUJQCIMQR-PWSUYJOCSA-N 1 0 313.741 1.371 20 5 DDBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCC(=O)N(C)C2=O)cccc1[N+](=O)[O-] ZINC000424314197 228258083 /nfs/dbraw/zinc/25/80/83/228258083.db2.gz KQAUJJZHRAVJJS-CMPLNLGQSA-N 1 0 305.334 1.701 20 5 DDBDRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000417937369 419400406 /nfs/dbraw/zinc/40/04/06/419400406.db2.gz IMAAQKVEFFHHDT-NWDGAFQWSA-N 1 0 306.366 1.529 20 5 DDBDRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000417952011 419416593 /nfs/dbraw/zinc/41/65/93/419416593.db2.gz XPXCGCZOJNRECS-SMDDNHRTSA-N 1 0 306.366 1.435 20 5 DDBDRO CC[C@@H]1C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H](CC)O1 ZINC000420960103 419384781 /nfs/dbraw/zinc/38/47/81/419384781.db2.gz RCCAWLUXPIEGAV-MELADBBJSA-N 1 0 312.370 1.042 20 5 DDBDRO C[C@@H]1CC[C@H](O)C[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000421002935 419438003 /nfs/dbraw/zinc/43/80/03/419438003.db2.gz BYHULHAPJANSOQ-KWCYVHTRSA-N 1 0 310.350 1.180 20 5 DDBDRO C[C@H](NC(=O)N[C@@H]1C[NH2+]CC[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000417983176 419449659 /nfs/dbraw/zinc/44/96/59/419449659.db2.gz NSMHOZNMTNYHQX-NTZNESFSSA-N 1 0 306.366 1.953 20 5 DDBDRO C[C@H](NC(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1)c1ccccc1[N+](=O)[O-] ZINC000417991471 419456535 /nfs/dbraw/zinc/45/65/35/419456535.db2.gz VNESZYXEIPVVKO-YNEHKIRRSA-N 1 0 318.377 1.907 20 5 DDBDRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1Cc1ccc([N+](=O)[O-])cc1F ZINC000418118631 419546831 /nfs/dbraw/zinc/54/68/31/419546831.db2.gz TVCCGWBNOQIJHB-VXGBXAGGSA-N 1 0 311.357 1.621 20 5 DDBDRO C[C@H](NC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000418232670 419633999 /nfs/dbraw/zinc/63/39/99/419633999.db2.gz NCJHVQFNGXBIAB-COPLHBTASA-N 1 0 306.366 1.953 20 5 DDBDRO COC1([C@@H](C)[NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CCC1 ZINC000412026752 419570455 /nfs/dbraw/zinc/57/04/55/419570455.db2.gz TYBSGUBULGBQIE-SNVBAGLBSA-N 1 0 307.350 1.741 20 5 DDBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000421707062 419694875 /nfs/dbraw/zinc/69/48/75/419694875.db2.gz WQFZKSXIJQPYKR-CYBMUJFWSA-N 1 0 321.377 1.916 20 5 DDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000430587197 228930153 /nfs/dbraw/zinc/93/01/53/228930153.db2.gz VENNRGFYEHDBJW-BNOWGMLFSA-N 1 0 318.377 1.748 20 5 DDBDRO Cn1cc(CN[C@H]2CCC[NH2+]C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000414867865 419851121 /nfs/dbraw/zinc/85/11/21/419851121.db2.gz OUXWAFUVHSNHOF-AWEZNQCLSA-N 1 0 315.377 1.837 20 5 DDBDRO [NH3+]CCCNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000414944892 419886159 /nfs/dbraw/zinc/88/61/59/419886159.db2.gz HNGOVHYMBBNVKG-UHFFFAOYSA-N 1 0 304.253 1.667 20 5 DDBDRO COc1cc(CN[C@H]2CC[NH2+][C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000414959011 419893506 /nfs/dbraw/zinc/89/35/06/419893506.db2.gz WWBABLRCQODEJJ-PWSUYJOCSA-N 1 0 309.366 1.842 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1CNC[C@@H]1C[NH2+]CCCO1 ZINC000415044607 419923687 /nfs/dbraw/zinc/92/36/87/419923687.db2.gz SJESNSYMXJFEAW-AWEZNQCLSA-N 1 0 309.366 1.462 20 5 DDBDRO CC(C)C[C@@H]([NH3+])CN1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000415115649 419951002 /nfs/dbraw/zinc/95/10/02/419951002.db2.gz YPQZTACJWMFMJF-CYBMUJFWSA-N 1 0 307.398 1.485 20 5 DDBDRO CSC[C@@H]1CCC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000429295841 419998678 /nfs/dbraw/zinc/99/86/78/419998678.db2.gz BGXDXQPPLUGMSP-DGCLKSJQSA-N 1 0 314.411 1.227 20 5 DDBDRO COc1ccc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-] ZINC000415438607 420065974 /nfs/dbraw/zinc/06/59/74/420065974.db2.gz MCCAJEWBDDNVAT-PWSUYJOCSA-N 1 0 320.349 1.962 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1CN1CC[NH+](C[C@@H](C)O)CC1 ZINC000430245286 420094473 /nfs/dbraw/zinc/09/44/73/420094473.db2.gz RNYBDYPZDGZABA-GFCCVEGCSA-N 1 0 309.366 1.102 20 5 DDBDRO Cc1c(NC(=O)C(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)cccc1[N+](=O)[O-] ZINC000415582528 420117819 /nfs/dbraw/zinc/11/78/19/420117819.db2.gz UNHUAYQTDAMERJ-GHMZBOCLSA-N 1 0 320.349 1.037 20 5 DDBDRO C[C@@]1(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)CCCC[NH2+]1 ZINC000423723696 420142506 /nfs/dbraw/zinc/14/25/06/420142506.db2.gz MABOWZBLEVPGPP-AWEZNQCLSA-N 1 0 303.322 1.942 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@H](C)[C@H]1C[NH3+] ZINC000430556388 420136187 /nfs/dbraw/zinc/13/61/87/420136187.db2.gz ZAVUHKHSQLJKEM-XHDPSFHLSA-N 1 0 320.393 1.901 20 5 DDBDRO CC[NH2+][C@H](C)CNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1CC ZINC000415662774 420141068 /nfs/dbraw/zinc/14/10/68/420141068.db2.gz QOVYGEQLNUOVRU-SNVBAGLBSA-N 1 0 322.365 1.210 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H](CC[NH3+])C(F)F ZINC000415491739 420089304 /nfs/dbraw/zinc/08/93/04/420089304.db2.gz BHOWKVJTYPTTIA-VIFPVBQESA-N 1 0 318.280 1.707 20 5 DDBDRO Cc1cc(OCC(=O)N[C@@H]2CCC[N@H+](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000430787132 420190531 /nfs/dbraw/zinc/19/05/31/420190531.db2.gz FFLGINURLBHFHV-TZMCWYRMSA-N 1 0 321.377 1.881 20 5 DDBDRO COc1ccc(NC(=O)CN2CC[C@H]([NH3+])[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000430927064 420208402 /nfs/dbraw/zinc/20/84/02/420208402.db2.gz HWHCSLQUEQLVMD-PWSUYJOCSA-N 1 0 322.365 1.211 20 5 DDBDRO Cc1c(NC(=O)CCN2C[C@H](C)[NH2+][C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000430931154 420211242 /nfs/dbraw/zinc/21/12/42/420211242.db2.gz VIBAGJUJJSTZAN-RYUDHWBXSA-N 1 0 320.393 1.914 20 5 DDBDRO C[C@@]1([NH3+])CCCC[C@H]1C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000423723672 420143681 /nfs/dbraw/zinc/14/36/81/420143681.db2.gz LWWISPLUSXMARP-XHDPSFHLSA-N 1 0 317.349 2.317 20 5 DDBDRO O=C(CCOC1C[NH2+]C1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423731855 420146664 /nfs/dbraw/zinc/14/66/64/420146664.db2.gz YQPNSHHJRCRNNJ-UHFFFAOYSA-N 1 0 319.361 1.464 20 5 DDBDRO Cc1c(NC(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000415692815 420148952 /nfs/dbraw/zinc/14/89/52/420148952.db2.gz PDRYANRINQYLPD-HNNXBMFYSA-N 1 0 320.349 1.039 20 5 DDBDRO C[C@H]1[C@@H]([NH3+])CCN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000420362467 420236329 /nfs/dbraw/zinc/23/63/29/420236329.db2.gz ZAHYMYDMEOBXJE-CABZTGNLSA-N 1 0 303.322 1.566 20 5 DDBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420369125 420239901 /nfs/dbraw/zinc/23/99/01/420239901.db2.gz BRCSRGHAOQTKER-AGIUHOORSA-N 1 0 320.393 1.839 20 5 DDBDRO C[NH2+]CCCN(C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000420393215 420259553 /nfs/dbraw/zinc/25/95/53/420259553.db2.gz WXPOWAYNMFZROH-LBPRGKRZSA-N 1 0 308.382 1.772 20 5 DDBDRO O=[N+]([O-])c1ccn(CCN2CC[NH2+]C[C@H]2c2ccccc2)n1 ZINC000420397963 420260760 /nfs/dbraw/zinc/26/07/60/420260760.db2.gz GQPGEORWAJSNCO-AWEZNQCLSA-N 1 0 301.350 1.438 20 5 DDBDRO COc1ccc(OCCN2C[C@H](C)[NH2+]C[C@H]2C)c([N+](=O)[O-])c1 ZINC000420408989 420268739 /nfs/dbraw/zinc/26/87/39/420268739.db2.gz WPNASBKAICUVFO-NWDGAFQWSA-N 1 0 309.366 1.664 20 5 DDBDRO Cc1n[nH]c(C(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000423983165 420290464 /nfs/dbraw/zinc/29/04/64/420290464.db2.gz VNJJBRWQCISTNL-NWDGAFQWSA-N 1 0 315.333 1.112 20 5 DDBDRO Cc1cc(S(=O)(=O)N[C@@H](C)CCC[NH3+])ccc1[N+](=O)[O-] ZINC000420435472 420285616 /nfs/dbraw/zinc/28/56/16/420285616.db2.gz GYAQZXBSOFXICR-JTQLQIEISA-N 1 0 301.368 1.309 20 5 DDBDRO C[C@H]1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C[C@H]1C[NH3+] ZINC000424014710 420306372 /nfs/dbraw/zinc/30/63/72/420306372.db2.gz LUQRKTKIYNTXLS-VHSXEESVSA-N 1 0 317.349 1.528 20 5 DDBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000420813314 420401677 /nfs/dbraw/zinc/40/16/77/420401677.db2.gz YGYMQIKJBWLYOC-ZDUSSCGKSA-N 1 0 306.366 1.830 20 5 DDBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC[C@@H](c2nnc[nH]2)C1 ZINC000425553394 420417136 /nfs/dbraw/zinc/41/71/36/420417136.db2.gz UHMAPFGZPKPUJG-LLVKDONJSA-N 1 0 303.322 1.581 20 5 DDBDRO C[C@H]1CN(C(=O)NCCc2ccccc2[N+](=O)[O-])[C@@H](C)C[NH2+]1 ZINC000417760554 420470792 /nfs/dbraw/zinc/47/07/92/420470792.db2.gz GIFQITUCTDURAG-RYUDHWBXSA-N 1 0 306.366 1.529 20 5 DDBDRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000417764960 420471935 /nfs/dbraw/zinc/47/19/35/420471935.db2.gz NEBHJFWZUPFLMB-GXTWGEPZSA-N 1 0 320.393 1.906 20 5 DDBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000440450723 420576755 /nfs/dbraw/zinc/57/67/55/420576755.db2.gz YXTZMEAWVWYYBA-NSHDSACASA-N 1 0 311.363 1.110 20 5 DDBDRO Cn1ccc(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)n1 ZINC000447580579 420784442 /nfs/dbraw/zinc/78/44/42/420784442.db2.gz PBYWFKWJUHFUHI-CHWSQXEVSA-N 1 0 304.354 1.798 20 5 DDBDRO Cc1n[nH]c(CC[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)n1 ZINC000447604758 420785065 /nfs/dbraw/zinc/78/50/65/420785065.db2.gz CTRCRBOHDFFANU-VXGBXAGGSA-N 1 0 319.369 1.534 20 5 DDBDRO O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3C[C@H](CO)[C@H](O)C3)o2)c1 ZINC000459694207 420849283 /nfs/dbraw/zinc/84/92/83/420849283.db2.gz GDAOKEYKYPTNSD-IUODEOHRSA-N 1 0 318.329 1.640 20 5 DDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cc(C(N)=O)no1 ZINC000449241047 420974193 /nfs/dbraw/zinc/97/41/93/420974193.db2.gz QSZZSXBRDVKKFC-VIFPVBQESA-N 1 0 304.306 1.403 20 5 DDBDRO [NH3+]C[C@H]1CN(C(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])CCCO1 ZINC000493719493 420923670 /nfs/dbraw/zinc/92/36/70/420923670.db2.gz ILOIEEGPILOKPJ-DXTPNHAXSA-N 1 0 323.324 1.323 20 5 DDBDRO COc1ccc(C(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000449642975 421043050 /nfs/dbraw/zinc/04/30/50/421043050.db2.gz YKNXWWQMXXOBJC-CMPLNLGQSA-N 1 0 307.350 1.851 20 5 DDBDRO COC[C@]1(CO)CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000449696754 421061027 /nfs/dbraw/zinc/06/10/27/421061027.db2.gz LDYWPVXYQBURSA-DQOPKJQZSA-N 1 0 306.362 1.939 20 5 DDBDRO C[C@H](CCC[NH3+])NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000449568106 421027277 /nfs/dbraw/zinc/02/72/77/421027277.db2.gz XDVGSLIPAFVHON-LLVKDONJSA-N 1 0 317.349 1.638 20 5 DDBDRO CCc1ccc(C(=O)N[C@@H](CC[NH3+])C(F)F)cc1[N+](=O)[O-] ZINC000449619432 421039494 /nfs/dbraw/zinc/03/94/94/421039494.db2.gz CJPOUSFZOAVLLX-JTQLQIEISA-N 1 0 301.293 1.870 20 5 DDBDRO Nc1c(C(=O)N[C@H](CC[NH3+])C(F)(F)F)cccc1[N+](=O)[O-] ZINC000449719298 421067588 /nfs/dbraw/zinc/06/75/88/421067588.db2.gz LFCZRLCNWGROKI-MRVPVSSYSA-N 1 0 306.244 1.187 20 5 DDBDRO COc1cc(NC[C@@H]2CCC[N@@H+]2CCCO)ccc1[N+](=O)[O-] ZINC000450602008 421216366 /nfs/dbraw/zinc/21/63/66/421216366.db2.gz ZJGHGKZBZXLEQO-ZDUSSCGKSA-N 1 0 309.366 1.862 20 5 DDBDRO Cc1nc(N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000450539286 421207636 /nfs/dbraw/zinc/20/76/36/421207636.db2.gz JMAMGXCROZNZDX-GMXVVIOVSA-N 1 0 305.382 1.860 20 5 DDBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC000547754783 421363790 /nfs/dbraw/zinc/36/37/90/421363790.db2.gz CTRIDWYOQRTNCV-GHMZBOCLSA-N 1 0 309.370 1.416 20 5 DDBDRO CC1CC[NH+](CCCCNC(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC000548082538 421397287 /nfs/dbraw/zinc/39/72/87/421397287.db2.gz NUCLDZBLOVYAMA-UHFFFAOYSA-N 1 0 309.370 1.560 20 5 DDBDRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000562817377 421417625 /nfs/dbraw/zinc/41/76/25/421417625.db2.gz LOKAMPSMFLVLNV-RISCZKNCSA-N 1 0 318.377 1.661 20 5 DDBDRO C[C@@]1(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCOC1 ZINC000514668279 421443986 /nfs/dbraw/zinc/44/39/86/421443986.db2.gz CPYCMJYQEWYCRB-HIFRSBDPSA-N 1 0 310.350 1.351 20 5 DDBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@H](O)COCC1CC1 ZINC000563416479 421506505 /nfs/dbraw/zinc/50/65/05/421506505.db2.gz FZRTYOOBPYNCCC-WFASDCNBSA-N 1 0 306.362 1.959 20 5 DDBDRO COC[C@](C)(O)C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000517070397 421593441 /nfs/dbraw/zinc/59/34/41/421593441.db2.gz BTWGAJNYFAOPCH-SGMGOOAPSA-N 1 0 312.370 1.262 20 5 DDBDRO CC[C@@H]1CCCC[C@@H]1C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000518759465 421665960 /nfs/dbraw/zinc/66/59/60/421665960.db2.gz WFHOFCSDKJUIHP-NFAWXSAZSA-N 1 0 310.398 1.958 20 5 DDBDRO Cc1cccc(C)c1CC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000521030880 421770217 /nfs/dbraw/zinc/77/02/17/421770217.db2.gz GPEOWMNLFBSFAU-OAHLLOKOSA-N 1 0 318.377 1.601 20 5 DDBDRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)c1cc([N+](=O)[O-])cn1C ZINC000521672128 421796249 /nfs/dbraw/zinc/79/62/49/421796249.db2.gz OPMSHGIVHKSCGB-RYUDHWBXSA-N 1 0 308.382 1.926 20 5 DDBDRO CC[NH+]1CCC(CNc2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000573113908 421922002 /nfs/dbraw/zinc/92/20/02/421922002.db2.gz ZAYOVIOGTRCNTG-UHFFFAOYSA-N 1 0 304.354 1.781 20 5 DDBDRO C[C@@H]1Oc2ccccc2[C@H]1[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000574270758 422085095 /nfs/dbraw/zinc/08/50/95/422085095.db2.gz KAFZKLYAKIMREW-NVBFEUDRSA-N 1 0 318.333 1.264 20 5 DDBDRO COc1ccc(CC(=O)N[C@@H]2CC[NH2+][C@H](C)C2)cc1[N+](=O)[O-] ZINC000574276317 422087050 /nfs/dbraw/zinc/08/70/50/422087050.db2.gz VGXAWFJRHWDSQH-ZYHUDNBSSA-N 1 0 307.350 1.403 20 5 DDBDRO C[C@@H](CCC[NH3+])NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000582002436 422087133 /nfs/dbraw/zinc/08/71/33/422087133.db2.gz LBGUYBMLTJQVSG-VIFPVBQESA-N 1 0 309.322 1.223 20 5 DDBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000577851668 422441626 /nfs/dbraw/zinc/44/16/26/422441626.db2.gz HOZYMJCROVSTPF-RKDXNWHRSA-N 1 0 318.333 1.704 20 5 DDBDRO C[C@H](CNC(=O)c1ccnc(N)c1[N+](=O)[O-])[N@@H+]1CCCC[C@H]1C ZINC000577294231 422384570 /nfs/dbraw/zinc/38/45/70/422384570.db2.gz MGMOGRLPXSVXFO-GHMZBOCLSA-N 1 0 321.381 1.565 20 5 DDBDRO CNC(=O)CCC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000578374865 422559090 /nfs/dbraw/zinc/55/90/90/422559090.db2.gz TWXMPSKXVFDHAW-LLVKDONJSA-N 1 0 307.354 1.002 20 5 DDBDRO O=C([C@@H]1CCCC[NH2+]1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000237937664 263592533 /nfs/dbraw/zinc/59/25/33/263592533.db2.gz BSVKOPACJLWSRI-YPMHNXCESA-N 1 0 319.365 1.145 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000341682533 271167941 /nfs/dbraw/zinc/16/79/41/271167941.db2.gz CRDNIDLTWVSBOY-UONOGXRCSA-N 1 0 321.377 1.505 20 5 DDBDRO CC[N@H+](CCNc1nc(C(=O)OC)ccc1[N+](=O)[O-])C(C)C ZINC000342096774 271297124 /nfs/dbraw/zinc/29/71/24/271297124.db2.gz PDARITOHCSSQLH-UHFFFAOYSA-N 1 0 310.354 1.919 20 5 DDBDRO COc1ccc(NC(=O)[C@H](C)NCC2([NH3+])CCC2)c([N+](=O)[O-])c1 ZINC000342113181 271300663 /nfs/dbraw/zinc/30/06/63/271300663.db2.gz BIIRSXXFZKGGSS-JTQLQIEISA-N 1 0 322.365 1.401 20 5 DDBDRO CC[C@H]([NH2+]CCCS(=O)(=O)NC)c1cccc([N+](=O)[O-])c1 ZINC000342290850 271368365 /nfs/dbraw/zinc/36/83/65/271368365.db2.gz GXLDDDGCHKYRIA-ZDUSSCGKSA-N 1 0 315.395 1.575 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCC[NH+]2CCC2)c1 ZINC000344941170 272142039 /nfs/dbraw/zinc/14/20/39/272142039.db2.gz DIJJOOICDBRTDY-UHFFFAOYSA-N 1 0 307.350 1.494 20 5 DDBDRO COCC[N@@H+]1CC[C@H](NC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000345764801 272329379 /nfs/dbraw/zinc/32/93/79/272329379.db2.gz DVYAOAGINRHOQW-LBPRGKRZSA-N 1 0 322.365 1.745 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CC([NH+](C)C)C1 ZINC000302117766 274000723 /nfs/dbraw/zinc/00/07/23/274000723.db2.gz DPBDNWXCRVMKHY-UHFFFAOYSA-N 1 0 324.293 1.040 20 5 DDBDRO COC[C@](C)([NH3+])CNc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000413144907 274052477 /nfs/dbraw/zinc/05/24/77/274052477.db2.gz QQCYNLNFSMEMCK-SNVBAGLBSA-N 1 0 308.260 1.784 20 5 DDBDRO C[C@@H]1C[N@H+](CCO)CCN1c1ccc([N+](=O)[O-])c2cnccc21 ZINC000450955071 274348761 /nfs/dbraw/zinc/34/87/61/274348761.db2.gz PEQFRNKCTYIOQY-GFCCVEGCSA-N 1 0 316.361 1.646 20 5 DDBDRO C[C@@H]1CN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@@H](C)[NH2+]1 ZINC000430928446 274359956 /nfs/dbraw/zinc/35/99/56/274359956.db2.gz LOCALDHNEFFVRG-JMSVASOKSA-N 1 0 318.377 1.382 20 5 DDBDRO C[C@H]1[C@@H]([NH3+])CCN1c1ncc([N+](=O)[O-])cc1Br ZINC000261567496 274638753 /nfs/dbraw/zinc/63/87/53/274638753.db2.gz ZVBXINURORCYSF-RCOVLWMOSA-N 1 0 301.144 1.678 20 5 DDBDRO CCOc1cccc(N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)c1[N+](=O)[O-] ZINC000273152702 276381263 /nfs/dbraw/zinc/38/12/63/276381263.db2.gz IGQHTGFELDVGAI-OLZOCXBDSA-N 1 0 323.393 1.885 20 5 DDBDRO C[NH+]1CCC([C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])o3)C2)CC1 ZINC000270216746 277032949 /nfs/dbraw/zinc/03/29/49/277032949.db2.gz MCRNPMLSBJQQIL-GFCCVEGCSA-N 1 0 307.350 1.992 20 5 DDBDRO C[NH2+]C[C@H](C)CN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000423273562 277282536 /nfs/dbraw/zinc/28/25/36/277282536.db2.gz LCSSKPMWICCROM-SWLSCSKDSA-N 1 0 317.393 1.863 20 5 DDBDRO COC(C)(C)CC[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000459516547 277458392 /nfs/dbraw/zinc/45/83/92/277458392.db2.gz VNOIWXSNTWLALA-UHFFFAOYSA-N 1 0 308.382 1.927 20 5 DDBDRO C[C@@H]1C[C@@H](C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)CCO1 ZINC000453573024 278891610 /nfs/dbraw/zinc/89/16/10/278891610.db2.gz GENXLWGGUFECMX-KGLIPLIRSA-N 1 0 320.393 1.927 20 5 DDBDRO C[C@@H]1CN(c2cccc(C(N)=O)c2[N+](=O)[O-])CC[N@@H+](C2CC2)C1 ZINC000450547692 288264229 /nfs/dbraw/zinc/26/42/29/288264229.db2.gz OPGRZYWRURVHQF-NSHDSACASA-N 1 0 318.377 1.614 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(N2CC[NH+](C[C@@H]3CCOC3)CC2)n1 ZINC000178250473 281012304 /nfs/dbraw/zinc/01/23/04/281012304.db2.gz IWZHCQHAQLBPNA-ZDUSSCGKSA-N 1 0 306.366 1.457 20 5 DDBDRO Cc1c(NC(=O)C(=O)N(C)CCC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000121088894 281131535 /nfs/dbraw/zinc/13/15/35/281131535.db2.gz FJXHJJPKRIJJMB-UHFFFAOYSA-N 1 0 322.365 1.252 20 5 DDBDRO CCCN(CC[NH+](C)C)C(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000133396553 281494359 /nfs/dbraw/zinc/49/43/59/281494359.db2.gz SUKBURKVVNWNQW-UHFFFAOYSA-N 1 0 311.386 1.290 20 5 DDBDRO C[NH+](C)C1CN(C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000295566881 282053528 /nfs/dbraw/zinc/05/35/28/282053528.db2.gz QVLINNULHRFREZ-UHFFFAOYSA-N 1 0 317.267 2.000 20 5 DDBDRO C[NH+](C)C1(CNC(=O)Cc2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000173757770 289045773 /nfs/dbraw/zinc/04/57/73/289045773.db2.gz WYFKXBGBOYCHOA-UHFFFAOYSA-N 1 0 321.377 1.364 20 5 DDBDRO C[NH2+]CCN(C(=O)NCCc1cccc([N+](=O)[O-])c1)C(C)C ZINC001120615071 782056737 /nfs/dbraw/zinc/05/67/37/782056737.db2.gz KPKXGNNBJYAZJL-UHFFFAOYSA-N 1 0 308.382 1.777 20 5 DDBDRO COC[C@H](O)CC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447576242 293172430 /nfs/dbraw/zinc/17/24/30/293172430.db2.gz XJLOQSDHBUEQRS-AGIUHOORSA-N 1 0 312.370 1.262 20 5 DDBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000291227828 297263502 /nfs/dbraw/zinc/26/35/02/297263502.db2.gz WLLPQRIILGESLJ-GHMZBOCLSA-N 1 0 319.365 1.152 20 5 DDBDRO C[C@H]1CC[N@H+](C)CCN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000353994488 298333857 /nfs/dbraw/zinc/33/38/57/298333857.db2.gz FTWRESXHQLUGSQ-ZDUSSCGKSA-N 1 0 320.393 1.949 20 5 DDBDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000354201871 298360955 /nfs/dbraw/zinc/36/09/55/298360955.db2.gz YTBFUOYMUASTKP-LLVKDONJSA-N 1 0 309.370 1.558 20 5 DDBDRO CCC[NH+](CCC)CCCNC(=O)c1cc([N+](=O)[O-])nn1C ZINC000356474340 298801581 /nfs/dbraw/zinc/80/15/81/298801581.db2.gz GAFBDCUAAPMKEB-UHFFFAOYSA-N 1 0 311.386 1.570 20 5 DDBDRO CCC[NH+]1CCC(NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000361864547 299951589 /nfs/dbraw/zinc/95/15/89/299951589.db2.gz AYZUMHRWLFUIBX-UHFFFAOYSA-N 1 0 308.338 1.300 20 5 DDBDRO COc1cc(CN2CCOC[C@@H]2C[C@@H](C)O)ccc1[N+](=O)[O-] ZINC000362276585 300041757 /nfs/dbraw/zinc/04/17/57/300041757.db2.gz CUPSXDBUDQJETG-YPMHNXCESA-N 1 0 310.350 1.575 20 5 DDBDRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1csc([N+](=O)[O-])c1 ZINC000363143935 300218993 /nfs/dbraw/zinc/21/89/93/300218993.db2.gz OBEHSWREMNLQJW-WDEREUQCSA-N 1 0 311.363 1.249 20 5 DDBDRO C[C@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)[C@H]1COc2ccccc21 ZINC000363836607 300314931 /nfs/dbraw/zinc/31/49/31/300314931.db2.gz VBIHZVLPSODCCT-CMPLNLGQSA-N 1 0 302.334 1.983 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000367463111 300848847 /nfs/dbraw/zinc/84/88/47/300848847.db2.gz FOXNIVWTPCNBBW-BXUZGUMPSA-N 1 0 318.377 1.997 20 5 DDBDRO Cn1cc(C[C@@H]2CC[N@H+](CCn3ccc([N+](=O)[O-])n3)C2)cn1 ZINC000368405798 301020752 /nfs/dbraw/zinc/02/07/52/301020752.db2.gz VVLRTGSQJOVRCB-LBPRGKRZSA-N 1 0 304.354 1.089 20 5 DDBDRO COCC[C@@]1(C(=O)NCc2ccc([N+](=O)[O-])cc2)CC[NH2+]C1 ZINC000368453034 301031007 /nfs/dbraw/zinc/03/10/07/301031007.db2.gz GNYSIAKSCWBXSO-HNNXBMFYSA-N 1 0 307.350 1.227 20 5 DDBDRO O=C(c1n[nH]cc1[N+](=O)[O-])N1CCC[C@H](C[NH+]2CCCCC2)C1 ZINC000368458456 301032998 /nfs/dbraw/zinc/03/29/98/301032998.db2.gz MOJSOJIQBSBOQC-GFCCVEGCSA-N 1 0 321.381 1.656 20 5 DDBDRO NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000368952733 301109582 /nfs/dbraw/zinc/10/95/82/301109582.db2.gz XEMHFXPZGJHAJE-GLQYFDAESA-N 1 0 319.361 1.559 20 5 DDBDRO [NH3+][C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000372444048 301573033 /nfs/dbraw/zinc/57/30/33/301573033.db2.gz ASQBHKXOWWNCCO-LMKPVCQUSA-N 1 0 305.334 1.454 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]2C[NH2+]CCC[C@@H]21 ZINC000373558630 301707473 /nfs/dbraw/zinc/70/74/73/301707473.db2.gz CGQWRLAIYYIMHZ-DOMZBBRYSA-N 1 0 318.377 1.902 20 5 DDBDRO CC(C)N1CC[C@H]([NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1=O ZINC000376034980 302028764 /nfs/dbraw/zinc/02/87/64/302028764.db2.gz OVMAEBMIFJFQRP-ZDUSSCGKSA-N 1 0 321.381 1.438 20 5 DDBDRO Nc1c(C(=O)N2CC[C@@]3(CCC[C@H]3[NH3+])C2)cccc1[N+](=O)[O-] ZINC000377189246 302153794 /nfs/dbraw/zinc/15/37/94/302153794.db2.gz ORRRCNHBRQOUAP-DOMZBBRYSA-N 1 0 304.350 1.521 20 5 DDBDRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc([N+](=O)[O-])cc1F ZINC000377510190 302187902 /nfs/dbraw/zinc/18/79/02/302187902.db2.gz FKHBQBSVJBESCW-NWDGAFQWSA-N 1 0 323.324 1.327 20 5 DDBDRO O=C1NC[C@@H]2C[N@H+](CCCOc3ccc([N+](=O)[O-])cc3)CC[C@H]12 ZINC000377717981 302218629 /nfs/dbraw/zinc/21/86/29/302218629.db2.gz CWZIFSXAVOLACA-DOMZBBRYSA-N 1 0 319.361 1.432 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[NH+]2CCC(n3cc(Cl)cn3)CC2)c1 ZINC000378592177 302340695 /nfs/dbraw/zinc/34/06/95/302340695.db2.gz SZYVTRYBEIXTMU-UHFFFAOYSA-N 1 0 324.772 1.978 20 5 DDBDRO C[NH+]1CCC(O)(CNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000397534151 302355445 /nfs/dbraw/zinc/35/54/45/302355445.db2.gz OADTWXHWIFIPRT-DAXSKMNVSA-N 1 0 319.361 1.181 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000171030278 302705214 /nfs/dbraw/zinc/70/52/14/302705214.db2.gz ZENJJWSUNHJMIY-ZDUSSCGKSA-N 1 0 318.377 1.999 20 5 DDBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccc2c(c1)OCCO2 ZINC000531143569 303232814 /nfs/dbraw/zinc/23/28/14/303232814.db2.gz PSMWLHGWWSVMIY-UHFFFAOYSA-N 1 0 318.333 1.695 20 5 DDBDRO C[N@@H+]1CCCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000535330000 303346546 /nfs/dbraw/zinc/34/65/46/303346546.db2.gz NXSFVVGNTOSKBY-UHFFFAOYSA-N 1 0 307.306 1.101 20 5 DDBDRO COC(=O)C[C@@]1([NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2)CCOC1 ZINC000362284550 307015977 /nfs/dbraw/zinc/01/59/77/307015977.db2.gz ZWXJTRNKNHDSQQ-HNNXBMFYSA-N 1 0 324.333 1.415 20 5 DDBDRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000364755327 307050387 /nfs/dbraw/zinc/05/03/87/307050387.db2.gz PSKYWIGMEZPYDL-DAXOMENPSA-N 1 0 317.389 1.993 20 5 DDBDRO O=[N+]([O-])c1cnn([C@@H]2CCC[N@H+](CCOCC(F)F)C2)c1 ZINC000365295491 307064044 /nfs/dbraw/zinc/06/40/44/307064044.db2.gz XSYRZXASBSABMF-SNVBAGLBSA-N 1 0 304.297 1.710 20 5 DDBDRO Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)C1 ZINC000369562725 307124291 /nfs/dbraw/zinc/12/42/91/307124291.db2.gz VBXHRXSRYXSPBS-CHWSQXEVSA-N 1 0 318.381 1.841 20 5 DDBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1cccc([N+](=O)[O-])c1N ZINC000376448421 307244210 /nfs/dbraw/zinc/24/42/10/307244210.db2.gz MUSKBWKDLBWMHO-DGCLKSJQSA-N 1 0 318.377 1.876 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2CC[N@@H+](C)[C@H]2C1 ZINC000376643032 307251100 /nfs/dbraw/zinc/25/11/00/307251100.db2.gz MSTRXQXZQSUFFX-FZMZJTMJSA-N 1 0 304.350 1.464 20 5 DDBDRO O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000376682848 307253470 /nfs/dbraw/zinc/25/34/70/307253470.db2.gz VZXAQRPEQPMCIO-ZANVPECISA-N 1 0 320.305 1.327 20 5 DDBDRO Nc1cc[nH+]cc1C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000515483734 307405164 /nfs/dbraw/zinc/40/51/64/307405164.db2.gz BOUDHRYQVICLLJ-UHFFFAOYSA-N 1 0 316.321 1.076 20 5 DDBDRO CCc1n[nH]c(C(=O)NCC(C)(C)[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000555103104 307842530 /nfs/dbraw/zinc/84/25/30/307842530.db2.gz NWPOVOJPVHXZEP-UHFFFAOYSA-N 1 0 323.397 1.875 20 5 DDBDRO O=C(NC[C@@H]1CCC[NH2+]C1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000562971742 307950876 /nfs/dbraw/zinc/95/08/76/307950876.db2.gz FRDIXDNMJVYLJL-SNVBAGLBSA-N 1 0 321.333 1.095 20 5 DDBDRO CC1(C)CCC[NH2+][C@H]1CNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000565480644 308032122 /nfs/dbraw/zinc/03/21/22/308032122.db2.gz RJQNXQKIIVEFHM-NSHDSACASA-N 1 0 308.338 1.203 20 5 DDBDRO COc1ccc(CC(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000567604943 308086122 /nfs/dbraw/zinc/08/61/22/308086122.db2.gz SXWDAQRTFPGZGH-CHWSQXEVSA-N 1 0 321.377 1.780 20 5 DDBDRO COCC[N@H+](C)C[C@H](O)CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000574168848 308264205 /nfs/dbraw/zinc/26/42/05/308264205.db2.gz KUTFCXRCVTYYPU-IUODEOHRSA-N 1 0 311.382 1.185 20 5 DDBDRO CCc1ccc(S(=O)(=O)N2CC[C@H]([NH2+]C)C2)cc1[N+](=O)[O-] ZINC000576517521 308320596 /nfs/dbraw/zinc/32/05/96/308320596.db2.gz TWNYFUGDBUJPGR-NSHDSACASA-N 1 0 313.379 1.140 20 5 DDBDRO CCc1ccc(S(=O)(=O)NC(C)(C)C[NH3+])cc1[N+](=O)[O-] ZINC000577279924 308376330 /nfs/dbraw/zinc/37/63/30/308376330.db2.gz RSSXUOOXARAJJA-UHFFFAOYSA-N 1 0 301.368 1.173 20 5 DDBDRO O=C1CC[C@@H](C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)CCN1 ZINC000577586085 308399016 /nfs/dbraw/zinc/39/90/16/308399016.db2.gz SDOQBLYUPJMUSV-GFCCVEGCSA-N 1 0 303.362 1.869 20 5 DDBDRO C[C@H](NC(=O)NCC1CC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1 ZINC000577713236 308408858 /nfs/dbraw/zinc/40/88/58/308408858.db2.gz SSWKOFQFCGTWGS-NSHDSACASA-N 1 0 306.366 1.955 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H]1C[C@@H](O)C1(C)C ZINC000581202013 308661872 /nfs/dbraw/zinc/66/18/72/308661872.db2.gz QGMCPNLCVCFLAX-UONOGXRCSA-N 1 0 321.377 1.981 20 5 DDBDRO Cc1c(Cl)cc(S(=O)(=O)N[C@@H](C)[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000381489055 325741700 /nfs/dbraw/zinc/74/17/00/325741700.db2.gz PRAZRNUQEHFCEM-SFYZADRCSA-N 1 0 321.786 1.571 20 5 DDBDRO Cc1cc(S(=O)(=O)N(C)[C@@H]2CC[NH2+]C2)c(C)cc1[N+](=O)[O-] ZINC000582371746 326022226 /nfs/dbraw/zinc/02/22/26/326022226.db2.gz KZJCOXTYSLWIGL-LLVKDONJSA-N 1 0 313.379 1.194 20 5 DDBDRO COc1ccc(CC(=O)NCC2([NH3+])CCCCC2)cc1[N+](=O)[O-] ZINC000583751512 337329397 /nfs/dbraw/zinc/32/93/97/337329397.db2.gz BKYAVFSCOVIPHS-UHFFFAOYSA-N 1 0 321.377 1.924 20 5 DDBDRO C[C@@H](C[NH3+])CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000441598517 533769979 /nfs/dbraw/zinc/76/99/79/533769979.db2.gz AUNAFYFZNQZLBZ-ZETCQYMHSA-N 1 0 305.256 1.938 20 5 DDBDRO C[C@H]1CN(c2ccc([N+](=O)[O-])c3cccnc32)CC[N@@H+]1CCO ZINC000302378944 533977185 /nfs/dbraw/zinc/97/71/85/533977185.db2.gz GFOQDYAOEUPNJG-LBPRGKRZSA-N 1 0 316.361 1.646 20 5 DDBDRO C[C@H]1C[C@@H](NC(=O)CNc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000330915847 534103884 /nfs/dbraw/zinc/10/38/84/534103884.db2.gz URUDUWLRVLFSNW-RYUDHWBXSA-N 1 0 306.366 1.606 20 5 DDBDRO C[C@@H]1CN(C(=O)CCNc2ccccc2[N+](=O)[O-])C[C@H](C)[N@H+]1C ZINC000330787787 534302730 /nfs/dbraw/zinc/30/27/30/534302730.db2.gz PTAVYQPDUYVVBD-BETUJISGSA-N 1 0 320.393 1.948 20 5 DDBDRO O=C(NCCNc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000444138911 534358608 /nfs/dbraw/zinc/35/86/08/534358608.db2.gz JNRAJXNGSNCDOG-ZFWWWQNUSA-N 1 0 304.350 1.123 20 5 DDBDRO [NH3+]C[C@H]1CCCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000297359089 534689002 /nfs/dbraw/zinc/68/90/02/534689002.db2.gz KKNYGCOBYJDNBP-SNVBAGLBSA-N 1 0 302.334 1.887 20 5 DDBDRO C[C@]1(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CCC[NH2+]C1 ZINC000237538293 525197863 /nfs/dbraw/zinc/19/78/63/525197863.db2.gz PPZYNSOODSATGL-INIZCTEOSA-N 1 0 303.362 1.869 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NC2CCC([NH3+])CC2)c1 ZINC000422774019 528610973 /nfs/dbraw/zinc/61/09/73/528610973.db2.gz ZTIZEXIAHIOBIH-UHFFFAOYSA-N 1 0 307.350 1.993 20 5 DDBDRO CC(C)[N@H+](C)CCNc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000735857287 598298186 /nfs/dbraw/zinc/29/81/86/598298186.db2.gz SBTRCKFJCOQLKE-UHFFFAOYSA-N 1 0 305.342 1.527 20 5 DDBDRO C[C@@H]1C[C@@H](Nc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000820668796 599590488 /nfs/dbraw/zinc/59/04/88/599590488.db2.gz WOKYVNOMPPLBJS-KOLCDFICSA-N 1 0 317.353 1.670 20 5 DDBDRO C[NH+](C)C[C@@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000821583193 606858854 /nfs/dbraw/zinc/85/88/54/606858854.db2.gz LWJSXEUYCZALCD-NSHDSACASA-N 1 0 317.353 1.305 20 5 DDBDRO C[NH+](C)CCNC(=S)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000756790791 700641070 /nfs/dbraw/zinc/64/10/70/700641070.db2.gz SSEODMABBWBGTI-UHFFFAOYSA-N 1 0 316.814 1.774 20 5 DDBDRO O=C(NCCC[NH+]1CCCC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000061238483 696317293 /nfs/dbraw/zinc/31/72/93/696317293.db2.gz SUPBVBFHUCCTPC-UHFFFAOYSA-N 1 0 322.321 1.719 20 5 DDBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1Cn1nccc1[N+](=O)[O-] ZINC000111171980 696642258 /nfs/dbraw/zinc/64/22/58/696642258.db2.gz SVZCMNGIWHFQTJ-CQSZACIVSA-N 1 0 315.377 1.955 20 5 DDBDRO Cc1c(C(=O)NCC[C@@H]2CC[NH2+]C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000178952529 697431803 /nfs/dbraw/zinc/43/18/03/697431803.db2.gz XMEJWTNAMHKIOF-JTQLQIEISA-N 1 0 322.321 1.541 20 5 DDBDRO CC1CC[NH+](CCNC(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000195157667 697733009 /nfs/dbraw/zinc/73/30/09/697733009.db2.gz YIBRJKDYVDGLLI-UHFFFAOYSA-N 1 0 306.366 1.639 20 5 DDBDRO CCNS(=O)(=O)CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000219188577 697753657 /nfs/dbraw/zinc/75/36/57/697753657.db2.gz YJCGFSJFBPNYKB-SNVBAGLBSA-N 1 0 301.368 1.185 20 5 DDBDRO CS[C@H](CO)[C@@H](C)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000228366933 697774171 /nfs/dbraw/zinc/77/41/71/697774171.db2.gz KCQHQEFHDMJXOP-OASPWFOLSA-N 1 0 300.380 1.330 20 5 DDBDRO C[NH+]1CCC(ONC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000773549078 697777561 /nfs/dbraw/zinc/77/75/61/697777561.db2.gz HCLYRGBLJUMUFQ-DAXSKMNVSA-N 1 0 305.334 1.750 20 5 DDBDRO Cc1nn(C)c(C)c1C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000749683288 700176751 /nfs/dbraw/zinc/17/67/51/700176751.db2.gz OCYDNTWZQXCDOC-HNNXBMFYSA-N 1 0 304.350 1.768 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)CN2CC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000776581386 698120940 /nfs/dbraw/zinc/12/09/40/698120940.db2.gz INGBFWKVJNLBTM-HZPDHXFCSA-N 1 0 305.378 1.798 20 5 DDBDRO O=[N+]([O-])c1ccc(OCCN2CC[NH+](CCCCO)CC2)cc1 ZINC000750054141 700201595 /nfs/dbraw/zinc/20/15/95/700201595.db2.gz SAKOFKXGLHKBDD-UHFFFAOYSA-N 1 0 323.393 1.364 20 5 DDBDRO Cc1nn(CN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000779867127 698476411 /nfs/dbraw/zinc/47/64/11/698476411.db2.gz DRUCNQFOVCFCGZ-GZBFAFLISA-N 1 0 323.397 1.241 20 5 DDBDRO C[C@@H]([NH3+])C[C@H](C)NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000320021070 698717264 /nfs/dbraw/zinc/71/72/64/698717264.db2.gz AXCIYNFKWZQJCJ-SFYZADRCSA-N 1 0 305.331 1.138 20 5 DDBDRO C[C@@H]1CC[C@H]1[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000783224341 698821205 /nfs/dbraw/zinc/82/12/05/698821205.db2.gz LENNAHKSKZKHNW-ZWNOBZJWSA-N 1 0 313.379 1.261 20 5 DDBDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)[C@@H]1CN(C)CCO1 ZINC000788670291 699333000 /nfs/dbraw/zinc/33/30/00/699333000.db2.gz IPOLCOBCHILGPV-RWSFTLGLSA-N 1 0 308.382 1.547 20 5 DDBDRO O=C1CCc2cc([N+](=O)[O-])c(N3C[C@H]4C[NH2+]C[C@H]4C3)cc2N1 ZINC000725787102 699334144 /nfs/dbraw/zinc/33/41/44/699334144.db2.gz AITOPVZRLUXGGB-PHIMTYICSA-N 1 0 302.334 1.135 20 5 DDBDRO C[C@H]([NH2+]CC1(N2CCOCC2)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788773508 699338901 /nfs/dbraw/zinc/33/89/01/699338901.db2.gz DTTBUEGAYGYQEA-LBPRGKRZSA-N 1 0 320.393 1.692 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[N@H+](C)[C@H](C)C1 ZINC000761079108 700840918 /nfs/dbraw/zinc/84/09/18/700840918.db2.gz PSULDHKXYGXESO-GFCCVEGCSA-N 1 0 306.366 1.478 20 5 DDBDRO COC(=O)c1cc(C)nc(NCC[N@@H+]2CCC[C@@H]2C)c1[N+](=O)[O-] ZINC000804520573 701197499 /nfs/dbraw/zinc/19/74/99/701197499.db2.gz GEWLUOKDGQLKFQ-NSHDSACASA-N 1 0 322.365 1.981 20 5 DDBDRO C[NH+](C)CCn1cc(NC(=O)c2cc([N+](=O)[O-])ccc2N)cn1 ZINC000769688793 701252466 /nfs/dbraw/zinc/25/24/66/701252466.db2.gz CIAIWNXSKFLBAG-UHFFFAOYSA-N 1 0 318.337 1.187 20 5 DDBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000839568208 701738869 /nfs/dbraw/zinc/73/88/69/701738869.db2.gz OBYUGTCXURKAEV-FAAHXZRKSA-N 1 0 303.362 1.603 20 5 DDBDRO C[C@H]1C[C@@H](NC(=O)Cc2cccc(F)c2[N+](=O)[O-])CC[N@@H+]1C ZINC000866073871 706611167 /nfs/dbraw/zinc/61/11/67/706611167.db2.gz UVXIRYYAJSZOAI-JQWIXIFHSA-N 1 0 309.341 1.875 20 5 DDBDRO CC(C)[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C[C@@H]1CCC(=O)N1 ZINC000839670016 701774507 /nfs/dbraw/zinc/77/45/07/701774507.db2.gz REVCMAGDSHXZLG-ZFWWWQNUSA-N 1 0 321.377 1.617 20 5 DDBDRO C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[N@H+](Cc2ccccc2)C1 ZINC000839785164 701826176 /nfs/dbraw/zinc/82/61/76/701826176.db2.gz BHGNFMJJSDRKBC-NUEKZKHPSA-N 1 0 317.389 1.632 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)c1 ZINC000866210127 706649634 /nfs/dbraw/zinc/64/96/34/706649634.db2.gz YFGYRTVUFHDXIL-QWHCGFSZSA-N 1 0 319.361 1.912 20 5 DDBDRO COC[C@](C)(O)C[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866266210 706661323 /nfs/dbraw/zinc/66/13/23/706661323.db2.gz XXFMIJSHPHTMFJ-QMTHXVAHSA-N 1 0 300.330 1.652 20 5 DDBDRO C[C@H]([NH3+])[C@H](C)NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000841255046 702404430 /nfs/dbraw/zinc/40/44/30/702404430.db2.gz BBAQNGMXFBUZQM-BQBZGAKWSA-N 1 0 314.729 1.039 20 5 DDBDRO [NH3+]C[C@@H](NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000818522583 702658183 /nfs/dbraw/zinc/65/81/83/702658183.db2.gz NAWCINUYKMXQOL-LLVKDONJSA-N 1 0 315.732 1.783 20 5 DDBDRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000842160836 702678261 /nfs/dbraw/zinc/67/82/61/702678261.db2.gz AJMTWPHLFCHMIR-NWDGAFQWSA-N 1 0 311.357 1.621 20 5 DDBDRO CC1(C)CN(c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CC[NH2+]1 ZINC000842314156 702701971 /nfs/dbraw/zinc/70/19/71/702701971.db2.gz RPOJFKPONODTDZ-UHFFFAOYSA-N 1 0 313.379 1.187 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)CNC[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000843061709 702810801 /nfs/dbraw/zinc/81/08/01/702810801.db2.gz HKAGICAJLDDELP-HZPDHXFCSA-N 1 0 323.393 1.065 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@H](O)COCC2CC2)c1 ZINC000843068207 702812672 /nfs/dbraw/zinc/81/26/72/702812672.db2.gz LAZJXAYWBFJVEE-LSDHHAIUSA-N 1 0 310.350 1.005 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H](CO)CN2CCCCC2)c1 ZINC000843113558 702821423 /nfs/dbraw/zinc/82/14/23/702821423.db2.gz WZPCSHJMYZXRBC-ZBFHGGJFSA-N 1 0 323.393 1.065 20 5 DDBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC000843893514 702938886 /nfs/dbraw/zinc/93/88/86/702938886.db2.gz OGNNCZXIKKXBTD-GWCFXTLKSA-N 1 0 307.325 1.818 20 5 DDBDRO C[N@@H+]1CC[C@H]2CN(CCOc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000879571936 706722101 /nfs/dbraw/zinc/72/21/01/706722101.db2.gz USADZQFHIBHPLU-BBRMVZONSA-N 1 0 305.378 2.000 20 5 DDBDRO CC1(C)C[C@@H](O)C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000879614941 706738660 /nfs/dbraw/zinc/73/86/60/706738660.db2.gz CKUFJPJTQLUXPA-KGLIPLIRSA-N 1 0 324.377 1.427 20 5 DDBDRO O=C1O[C@@H](C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CN1C1CC1 ZINC000848677636 703574700 /nfs/dbraw/zinc/57/47/00/703574700.db2.gz FHLIKWFNDDRVCR-KBPBESRZSA-N 1 0 321.333 1.201 20 5 DDBDRO C[N@@H+]1CCCC[C@@H]1CCOC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000848786281 703589050 /nfs/dbraw/zinc/58/90/50/703589050.db2.gz KGJBHKUCDWDKDL-SNVBAGLBSA-N 1 0 308.338 1.603 20 5 DDBDRO Cc1cc(C(=O)N[C@H]2CC[N@H+](CC(C)(C)O)C2)ccc1[N+](=O)[O-] ZINC000869786152 703853237 /nfs/dbraw/zinc/85/32/37/703853237.db2.gz UCRUYQQEGFDGTF-ZDUSSCGKSA-N 1 0 321.377 1.478 20 5 DDBDRO CC(C)C[C@@H](C[NH3+])NC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000818554981 703924670 /nfs/dbraw/zinc/92/46/70/703924670.db2.gz FTLABXJLVAYTSN-NSHDSACASA-N 1 0 308.382 1.764 20 5 DDBDRO O=[N+]([O-])c1ccc(OCC[NH2+]C[C@H](O)c2ccc(F)cn2)cc1 ZINC000819047312 704058441 /nfs/dbraw/zinc/05/84/41/704058441.db2.gz WSOYUEOSCPKBIQ-HNNXBMFYSA-N 1 0 321.308 1.831 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCCCn2ccnc2)c1 ZINC000819058020 704062173 /nfs/dbraw/zinc/06/21/73/704062173.db2.gz CJAFEGUORVVTBZ-HNNXBMFYSA-N 1 0 304.350 1.895 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CCCO[C@@H]2CCOC2)cc1 ZINC000819149963 704076454 /nfs/dbraw/zinc/07/64/54/704076454.db2.gz MEWBGQMVIYYJDV-CABCVRRESA-N 1 0 310.350 1.413 20 5 DDBDRO C[NH+](C)[C@H]1CCCN(C(=O)[C@@](C)(N)c2cccc([N+](=O)[O-])c2)C1 ZINC000870879788 704155453 /nfs/dbraw/zinc/15/54/53/704155453.db2.gz NPWVVQCYXIOBLS-HOCLYGCPSA-N 1 0 320.393 1.321 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000820608430 704309731 /nfs/dbraw/zinc/30/97/31/704309731.db2.gz IWWVOGYXLYSTMC-HNNXBMFYSA-N 1 0 321.381 1.044 20 5 DDBDRO O=C1NCC[C@H]1CC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000821343009 704393933 /nfs/dbraw/zinc/39/39/33/704393933.db2.gz TUBUIIKIQTWLQB-ZDUSSCGKSA-N 1 0 318.377 1.243 20 5 DDBDRO CN1C(=O)CC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C1=O ZINC000822520596 704966968 /nfs/dbraw/zinc/96/69/68/704966968.db2.gz IELPKIJAKNGSJG-SNVBAGLBSA-N 1 0 311.725 1.485 20 5 DDBDRO Nc1ccc(-c2noc([C@H]3C[C@@]34CC[NH2+]C4)n2)cc1[N+](=O)[O-] ZINC000822640152 704994503 /nfs/dbraw/zinc/99/45/03/704994503.db2.gz LRVGTDKCSJEYPF-YMTOWFKASA-N 1 0 301.306 1.694 20 5 DDBDRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000874823244 705182721 /nfs/dbraw/zinc/18/27/21/705182721.db2.gz GVSKQFHBATWMDZ-KGLIPLIRSA-N 1 0 321.352 1.972 20 5 DDBDRO COc1c(C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)cccc1[N+](=O)[O-] ZINC000874830375 705189099 /nfs/dbraw/zinc/18/90/99/705189099.db2.gz RGOXYZHZWPMWFB-OLZOCXBDSA-N 1 0 319.361 1.912 20 5 DDBDRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000874846916 705201066 /nfs/dbraw/zinc/20/10/66/705201066.db2.gz LNBKUOHJJLRLNO-HUUCEWRRSA-N 1 0 319.361 1.669 20 5 DDBDRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825099412 705599439 /nfs/dbraw/zinc/59/94/39/705599439.db2.gz ZCLTXVLJADWJHE-DOMZBBRYSA-N 1 0 321.377 1.619 20 5 DDBDRO C[C@@H]1C[N@H+](CCO)CCN1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000825336862 705649290 /nfs/dbraw/zinc/64/92/90/705649290.db2.gz ADUCSIAUWATCGN-LLVKDONJSA-N 1 0 313.785 1.747 20 5 DDBDRO O=C(NCCNc1ccc([N+](=O)[O-])cc1)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876564401 705760141 /nfs/dbraw/zinc/76/01/41/705760141.db2.gz SQBDWMGHFRJMIZ-GXFFZTMASA-N 1 0 310.329 1.071 20 5 DDBDRO COc1ccc(CNC(=O)/C=C\[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000876612584 705783903 /nfs/dbraw/zinc/78/39/03/705783903.db2.gz QIMDXZNKTFLXRK-SMYYYNMVSA-N 1 0 319.361 1.775 20 5 DDBDRO O=C(/C=C/[C@@H]1CCC[NH2+]C1)NCCc1ccccc1[N+](=O)[O-] ZINC000876681661 705816882 /nfs/dbraw/zinc/81/68/82/705816882.db2.gz XEBXJSNCTGTHNM-GWJCSSMESA-N 1 0 303.362 1.809 20 5 DDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@@H]3CCN4CCCC[C@H]34)C2)c1 ZINC000876935838 705930080 /nfs/dbraw/zinc/93/00/80/705930080.db2.gz RSPZKJAHXJSICT-BBNOBNGHSA-N 1 0 305.382 1.711 20 5 DDBDRO CC(C)C[C@@H](O)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000876987855 705950306 /nfs/dbraw/zinc/95/03/06/705950306.db2.gz LGUJESKKENKGDQ-OAHLLOKOSA-N 1 0 322.409 1.955 20 5 DDBDRO Cc1c(CC(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)cccc1[N+](=O)[O-] ZINC000877277819 706045883 /nfs/dbraw/zinc/04/58/83/706045883.db2.gz PDFGUWFMSHTTTB-HIFRSBDPSA-N 1 0 303.362 1.799 20 5 DDBDRO [NH3+]C[C@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])C[C@H]1C(F)(F)F ZINC000877371801 706084159 /nfs/dbraw/zinc/08/41/59/706084159.db2.gz VRNVSSAALVBFAK-WCBMZHEXSA-N 1 0 317.267 1.804 20 5 DDBDRO O=C1[C@@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C[C@H]2CCCCN12 ZINC000877579351 706148359 /nfs/dbraw/zinc/14/83/59/706148359.db2.gz PMLOFAZWDXLWPQ-QKVQEHJESA-N 1 0 319.365 1.238 20 5 DDBDRO O=[N+]([O-])c1ccccc1-c1nnc(CN2C[C@@H]3C[NH2+]C[C@H]3C2)o1 ZINC000877982289 706257629 /nfs/dbraw/zinc/25/76/29/706257629.db2.gz ODVZEJXFQBMPQY-QWRGUYRKSA-N 1 0 315.333 1.296 20 5 DDBDRO C[C@@H]1CN(CCO)CCN1c1nc2ccc([N+](=O)[O-])cc2s1 ZINC000829576556 706359548 /nfs/dbraw/zinc/35/95/48/706359548.db2.gz CHOCHPCWFVQGIU-SNVBAGLBSA-N 1 0 322.390 1.707 20 5 DDBDRO [NH3+][C@@H](CC(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)C1CC1 ZINC000829937587 706421670 /nfs/dbraw/zinc/42/16/70/706421670.db2.gz MTCZIXARNZVOAP-YPMHNXCESA-N 1 0 319.365 1.130 20 5 DDBDRO Cn1nnnc1CC[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000878679148 706466870 /nfs/dbraw/zinc/46/68/70/706466870.db2.gz UJQDLLHFIRTDMZ-CYBMUJFWSA-N 1 0 316.365 1.540 20 5 DDBDRO C[NH+](C)C[C@H]1CCN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])C1 ZINC000865858159 706545474 /nfs/dbraw/zinc/54/54/74/706545474.db2.gz CPBLGGJRTOIOTE-LLVKDONJSA-N 1 0 309.341 1.687 20 5 DDBDRO COC(=O)Cc1ccc(N2CC([NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000865937713 706570519 /nfs/dbraw/zinc/57/05/19/706570519.db2.gz YMAKEVWDTRZWTP-UHFFFAOYSA-N 1 0 319.361 1.595 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC=C[C@@H]1CO ZINC000880489714 706992936 /nfs/dbraw/zinc/99/29/36/706992936.db2.gz HSWPUFANEYSJAF-CYBMUJFWSA-N 1 0 305.334 1.465 20 5 DDBDRO C[C@H]1C[C@@H](NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CC[NH2+]1 ZINC000834682801 707102340 /nfs/dbraw/zinc/10/23/40/707102340.db2.gz XQNKSPLTBDRRCN-JQWIXIFHSA-N 1 0 317.349 1.201 20 5 DDBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@H](O)C[NH+](C)C ZINC000872032917 707282987 /nfs/dbraw/zinc/28/29/87/707282987.db2.gz BZTVZOTXOXNEIV-JQWIXIFHSA-N 1 0 313.423 1.890 20 5 DDBDRO O=[N+]([O-])c1ccccc1-c1nnc(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)o1 ZINC000872319207 707380521 /nfs/dbraw/zinc/38/05/21/707380521.db2.gz AJGBCTZOMRXKMA-PHIMTYICSA-N 1 0 316.317 1.723 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC(C)([NH+]2CCC2)CC1 ZINC000882500185 707668434 /nfs/dbraw/zinc/66/84/34/707668434.db2.gz TTWWAZHCAUPOTE-UHFFFAOYSA-N 1 0 318.377 1.999 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCCN1CCNC(=O)C1 ZINC000873133086 707743992 /nfs/dbraw/zinc/74/39/92/707743992.db2.gz CAZKJIDQPMOSJY-UHFFFAOYSA-N 1 0 320.393 1.123 20 5 DDBDRO Cc1ccc(C[NH2+][C@@H]2CCCS(=O)(=O)CC2)cc1[N+](=O)[O-] ZINC000873149484 707750102 /nfs/dbraw/zinc/75/01/02/707750102.db2.gz PFXZBONZFMZGMT-CYBMUJFWSA-N 1 0 312.391 1.960 20 5 DDBDRO Cc1ccc(C[NH2+][C@H](C2CC2)[C@@H]2CNCCO2)cc1[N+](=O)[O-] ZINC000873251849 707786022 /nfs/dbraw/zinc/78/60/22/707786022.db2.gz LVJODEQCTFBPRN-JKSUJKDBSA-N 1 0 305.378 1.760 20 5 DDBDRO CC[NH+](CC)CCCOC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000838285203 707887435 /nfs/dbraw/zinc/88/74/35/707887435.db2.gz OCPMNWVQTZNMCS-AWEZNQCLSA-N 1 0 310.350 1.903 20 5 DDBDRO CC1(C)[C@H](NC(=O)CSc2ccc([N+](=O)[O-])cc2)C[C@@H]1[NH3+] ZINC000884348530 708256769 /nfs/dbraw/zinc/25/67/69/708256769.db2.gz BIRFPWFZCXDYBN-NWDGAFQWSA-N 1 0 309.391 1.929 20 5 DDBDRO C[C@](O)(C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)C(F)F ZINC000886067228 708691819 /nfs/dbraw/zinc/69/18/19/708691819.db2.gz IPYOMZYTXVUBMZ-ZANVPECISA-N 1 0 316.308 1.492 20 5 DDBDRO COC(=O)N1CCC([C@H](C)[NH2+]Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886145461 708705031 /nfs/dbraw/zinc/70/50/31/708705031.db2.gz YYMPWNREGQIMJE-NSHDSACASA-N 1 0 322.365 1.946 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H]1CC[C@@H](O)[C@@H](O)CC1 ZINC000886262746 708731394 /nfs/dbraw/zinc/73/13/94/708731394.db2.gz ZNRONDPNHFQMTN-BZWBGLRVSA-N 1 0 308.378 1.966 20 5 DDBDRO C[N@@H+]1C[C@@H]2CN(C(=O)c3c(F)cccc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000887922043 709163903 /nfs/dbraw/zinc/16/39/03/709163903.db2.gz WIXYFBGKYHXDJW-BMIGLBTASA-N 1 0 307.325 1.758 20 5 DDBDRO Cc1cc(C(=O)N2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)c(N)c([N+](=O)[O-])c1 ZINC000887931690 709169055 /nfs/dbraw/zinc/16/90/55/709169055.db2.gz DLNUSWUSAHFWTP-BZNIZROVSA-N 1 0 318.377 1.509 20 5 DDBDRO C[N@H+](CCO)CCNC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000899740581 709184959 /nfs/dbraw/zinc/18/49/59/709184959.db2.gz FFLCSALANHGZJD-UHFFFAOYSA-N 1 0 317.345 1.402 20 5 DDBDRO C[C@@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000912809657 713098292 /nfs/dbraw/zinc/09/82/92/713098292.db2.gz JVDYPLDOJAOQQZ-QWRGUYRKSA-N 1 0 309.370 1.510 20 5 DDBDRO C[NH+]1CCC2(CCN2C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000889226213 709464708 /nfs/dbraw/zinc/46/47/08/709464708.db2.gz XSKUXQVFFQQYKW-UHFFFAOYSA-N 1 0 322.340 1.626 20 5 DDBDRO O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1CCC([NH+]2CCC2)CC1 ZINC000912874710 713112712 /nfs/dbraw/zinc/11/27/12/713112712.db2.gz DWXDNKCMTLKSPK-UHFFFAOYSA-N 1 0 306.322 1.006 20 5 DDBDRO CCCc1n[nH]c(C(=O)N2CCC([NH+]3CCC3)CC2)c1[N+](=O)[O-] ZINC000912878847 713113303 /nfs/dbraw/zinc/11/33/03/713113303.db2.gz DSRRXIQORXKDFL-UHFFFAOYSA-N 1 0 321.381 1.581 20 5 DDBDRO CC1(C)CC[N@H+](CCNC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000890068705 709730342 /nfs/dbraw/zinc/73/03/42/709730342.db2.gz CFSLWEQWNDBPJL-AWEZNQCLSA-N 1 0 321.377 1.476 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCN1C ZINC000900812298 709773356 /nfs/dbraw/zinc/77/33/56/709773356.db2.gz UVXVWWDWHOUBEI-GXTWGEPZSA-N 1 0 320.393 1.267 20 5 DDBDRO COc1c(O)ccc(C[N@@H+]2CCC[C@H](CCO)C2)c1[N+](=O)[O-] ZINC000891949020 710335877 /nfs/dbraw/zinc/33/58/77/710335877.db2.gz YDQVGKBGZMIPJL-LLVKDONJSA-N 1 0 310.350 1.903 20 5 DDBDRO COc1cc([N+](=O)[O-])cnc1N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000892319956 710416296 /nfs/dbraw/zinc/41/62/96/710416296.db2.gz REYONNNCJQWKFP-CHWSQXEVSA-N 1 0 322.365 1.034 20 5 DDBDRO C[NH+](C)[C@]1(CNc2ccc3nonc3c2[N+](=O)[O-])CCSC1 ZINC000892797863 710501640 /nfs/dbraw/zinc/50/16/40/710501640.db2.gz ZOEZTEJFJBPVBZ-ZDUSSCGKSA-N 1 0 323.378 1.980 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000913293486 713193536 /nfs/dbraw/zinc/19/35/36/713193536.db2.gz PATJYUHJFIAELW-HOTGVXAUSA-N 1 0 318.377 1.712 20 5 DDBDRO C[C@H]1[C@@H](NC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)CC[N@@H+]1C ZINC000928438593 713195819 /nfs/dbraw/zinc/19/58/19/713195819.db2.gz GIDSEGYKKFEHRN-CABZTGNLSA-N 1 0 324.356 1.622 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCC[C@H]([NH2+]C(C)C)C1 ZINC000893802398 710835686 /nfs/dbraw/zinc/83/56/86/710835686.db2.gz ZWUOXHQEIGSLAM-LBPRGKRZSA-N 1 0 309.370 1.089 20 5 DDBDRO COc1cc([C@H](C)[NH2+][C@H](C)Cn2cncn2)cc([N+](=O)[O-])c1 ZINC000903083153 711027182 /nfs/dbraw/zinc/02/71/82/711027182.db2.gz AEVWOLKCTHSYRO-MNOVXSKESA-N 1 0 305.338 1.934 20 5 DDBDRO CC1(C)C[NH2+]CCN1C(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000911849088 711030601 /nfs/dbraw/zinc/03/06/01/711030601.db2.gz YZFXIJZCIRNNQJ-ZIAGYGMSSA-N 1 0 303.362 1.909 20 5 DDBDRO COc1cc([C@@H](C)[NH2+][C@@H]2CCC(=O)N(C)C2)cc([N+](=O)[O-])c1 ZINC000903098361 711031164 /nfs/dbraw/zinc/03/11/64/711031164.db2.gz NPAWHJAFXDKZKC-ZYHUDNBSSA-N 1 0 307.350 1.875 20 5 DDBDRO CN(C(=O)CN1C[C@@H]([NH3+])C(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000903551984 711188076 /nfs/dbraw/zinc/18/80/76/711188076.db2.gz FLIZEZUFVCQERJ-CYBMUJFWSA-N 1 0 306.366 1.227 20 5 DDBDRO O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC[C@]23CC[NH2+]C3)c1 ZINC000903593374 711216058 /nfs/dbraw/zinc/21/60/58/711216058.db2.gz MDJXMPAIUNMFTD-CYBMUJFWSA-N 1 0 311.363 1.111 20 5 DDBDRO O=C(CNc1ccccc1[N+](=O)[O-])N1CC([NH+]2CCCC2)C1 ZINC000912324743 711279434 /nfs/dbraw/zinc/27/94/34/711279434.db2.gz GXOUHIZCZMKFTE-UHFFFAOYSA-N 1 0 304.350 1.313 20 5 DDBDRO O=[N+]([O-])c1ccc(CN[C@H]2C[NH2+]CC3(CCOCC3)C2)cc1 ZINC000903973433 711353622 /nfs/dbraw/zinc/35/36/22/711353622.db2.gz CXPIJESCRINKIT-CQSZACIVSA-N 1 0 305.378 1.843 20 5 DDBDRO CCO[C@H](CNc1nc2cc([N+](=O)[O-])ccc2[nH]1)C[NH+](C)C ZINC000896118490 711678757 /nfs/dbraw/zinc/67/87/57/711678757.db2.gz ZQXBDPBJLHVPRL-LLVKDONJSA-N 1 0 307.354 1.850 20 5 DDBDRO COc1c(O)ccc(C[N@@H+]2CC[C@@H](C3OCCO3)C2)c1[N+](=O)[O-] ZINC000896379803 711714959 /nfs/dbraw/zinc/71/49/59/711714959.db2.gz FCGZMSXTGNDFEU-LLVKDONJSA-N 1 0 324.333 1.504 20 5 DDBDRO COC[C@@H]1C[NH2+]CCN1C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000904420247 711855416 /nfs/dbraw/zinc/85/54/16/711855416.db2.gz IFXDLZJMIGYHMU-LBPRGKRZSA-N 1 0 322.365 1.664 20 5 DDBDRO COc1cc(CN[C@H]2C[NH2+]CC2(C)C)c([N+](=O)[O-])cc1OC ZINC000904462101 711860802 /nfs/dbraw/zinc/86/08/02/711860802.db2.gz HJFSXRFJIMHHCF-AWEZNQCLSA-N 1 0 309.366 1.700 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CC[C@@H]2CCCC2(F)F)c1 ZINC000905420268 712033521 /nfs/dbraw/zinc/03/35/21/712033521.db2.gz RJQKFIZZTCZQRH-JQWIXIFHSA-N 1 0 318.324 1.567 20 5 DDBDRO CCO[C@@H](CNC[C@H](O)c1ccc([N+](=O)[O-])cc1)C[NH+](C)C ZINC000905581901 712085834 /nfs/dbraw/zinc/08/58/34/712085834.db2.gz ZPCMKYYWNGWQMR-GJZGRUSLSA-N 1 0 311.382 1.185 20 5 DDBDRO C[C@@H]1COC[C@H]1[NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000905868331 712170632 /nfs/dbraw/zinc/17/06/32/712170632.db2.gz RPATVSWMOZZJEW-DDTOSNHZSA-N 1 0 305.334 1.325 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C[C@]1(O)CCC[N@@H+](C)C1 ZINC000908267259 712724618 /nfs/dbraw/zinc/72/46/18/712724618.db2.gz FAPHVWNZWJAPDE-MRXNPFEDSA-N 1 0 321.377 1.997 20 5 DDBDRO Cn1nccc1[C@@H](O)C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000922973791 714201123 /nfs/dbraw/zinc/20/11/23/714201123.db2.gz RWOLSVMYNIDHMF-DRDHIDPGSA-N 1 0 302.334 1.665 20 5 DDBDRO C[NH+](C)C1(CNC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)CC1 ZINC000923002374 714210398 /nfs/dbraw/zinc/21/03/98/714210398.db2.gz KRFYRLASXMVOHG-UHFFFAOYSA-N 1 0 318.377 1.757 20 5 DDBDRO Cn1ccc(C2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)n1 ZINC000932145375 714270641 /nfs/dbraw/zinc/27/06/41/714270641.db2.gz QIUDVTJLMLGYPP-UHFFFAOYSA-N 1 0 304.354 1.404 20 5 DDBDRO O=[N+]([O-])c1ccccc1N1CCN(CCC[NH2+]C2CC2)CC1 ZINC000923297846 714301872 /nfs/dbraw/zinc/30/18/72/714301872.db2.gz OVJFOXSVUPCQSS-UHFFFAOYSA-N 1 0 304.394 1.859 20 5 DDBDRO CCC[C@@H]1C[NH2+]CCN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000923332541 714318233 /nfs/dbraw/zinc/31/82/33/714318233.db2.gz REABILICTOXDDF-CABCVRRESA-N 1 0 323.393 1.408 20 5 DDBDRO [NH3+][C@@H]1CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]1C(F)(F)F ZINC000923430550 714353737 /nfs/dbraw/zinc/35/37/37/714353737.db2.gz GXDTYRVEPFPSIW-IJLUTSLNSA-N 1 0 319.283 1.450 20 5 DDBDRO C[C@@](CO)(Cc1ccc(F)cc1)[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000933438261 714589237 /nfs/dbraw/zinc/58/92/37/714589237.db2.gz ILHZJMHRIKFUAC-HNNXBMFYSA-N 1 0 322.340 1.514 20 5 DDBDRO O=[N+]([O-])c1ccccc1OCC[NH2+][C@H]1CCOC12CCOCC2 ZINC000934408331 714813393 /nfs/dbraw/zinc/81/33/93/714813393.db2.gz OZKQXUUMZDYLSW-HNNXBMFYSA-N 1 0 322.361 1.901 20 5 DDBDRO CCON1CCC([NH2+]CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000925383088 714836918 /nfs/dbraw/zinc/83/69/18/714836918.db2.gz QSILPJLJSYWQOB-UHFFFAOYSA-N 1 0 309.366 1.979 20 5 DDBDRO C[N@@H+]1CCO[C@@H]2CN(c3ccc4cccc([N+](=O)[O-])c4n3)C[C@@H]21 ZINC001164664735 719390280 /nfs/dbraw/zinc/39/02/80/719390280.db2.gz COEQLDSSFIOBFM-UONOGXRCSA-N 1 0 314.345 1.662 20 5 DDBDRO C[N@@H+]1CCO[C@@H]2CN(c3ncnc4cccc([N+](=O)[O-])c43)C[C@@H]21 ZINC000347409210 719474890 /nfs/dbraw/zinc/47/48/90/719474890.db2.gz GYAWUDBSYJFAFF-QWHCGFSZSA-N 1 0 315.333 1.057 20 5 DDBDRO C[N@@H+]1CCO[C@@H]2CN(c3nccc4cc([N+](=O)[O-])ccc43)C[C@H]21 ZINC000590694494 719481958 /nfs/dbraw/zinc/48/19/58/719481958.db2.gz XDWXIXXHPVIZHH-HUUCEWRRSA-N 1 0 314.345 1.662 20 5 DDBDRO [NH3+][C@H]1CN(c2ccc3c(ccc(Cl)c3[N+](=O)[O-])n2)C[C@H]1O ZINC001167088841 732551182 /nfs/dbraw/zinc/55/11/82/732551182.db2.gz GPWGBIUQICGNOA-GXSJLCMTSA-N 1 0 308.725 1.305 20 5 DDBDRO COC(=O)c1cnc(N[C@@H]2C[NH+]3CCC2CC3)c([N+](=O)[O-])c1 ZINC001120978407 782269928 /nfs/dbraw/zinc/26/99/28/782269928.db2.gz UFZDUENJIJPCBU-LLVKDONJSA-N 1 0 306.322 1.283 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)C)C1 ZINC001020961531 732807788 /nfs/dbraw/zinc/80/77/88/732807788.db2.gz LEVHERKHDWXYHY-MGCOHNPYSA-N 1 0 309.370 1.111 20 5 DDBDRO Cc1[nH]ccc1C(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001125429899 733309538 /nfs/dbraw/zinc/30/95/38/733309538.db2.gz MQSDTMRIPPMQLU-UHFFFAOYSA-N 1 0 302.334 1.751 20 5 DDBDRO O=C(N[C@H]1C[C@@H]([NH2+]CCC2CCCCC2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001022063940 734368185 /nfs/dbraw/zinc/36/81/85/734368185.db2.gz QDVNVDLQOVONRG-LXTVHRRPSA-N 1 0 309.410 1.859 20 5 DDBDRO CN(CCN(C)c1ccc([N+](=O)[O-])cc1)C(=O)CCC[NH+](C)C ZINC001105539006 742108488 /nfs/dbraw/zinc/10/84/88/742108488.db2.gz PHHNHOIKTKICSS-UHFFFAOYSA-N 1 0 322.409 1.831 20 5 DDBDRO C[NH+]1CCN(c2ccc(Nc3ccc([N+](=O)[O-])nc3)nc2)CC1 ZINC001203560477 743790572 /nfs/dbraw/zinc/79/05/72/743790572.db2.gz LYUWUDDUPIQGNS-UHFFFAOYSA-N 1 0 314.349 1.880 20 5 DDBDRO Cc1nnc([C@H]2CC[N@H+](CCn3c(C)ncc3[N+](=O)[O-])C2)[nH]1 ZINC001195213837 746550804 /nfs/dbraw/zinc/55/08/04/746550804.db2.gz JPODTERDZCKYOA-NSHDSACASA-N 1 0 305.342 1.016 20 5 DDBDRO CCC[N@H+](C)CC(=O)NC/C=C\CNc1ncccc1[N+](=O)[O-] ZINC001107280110 749725625 /nfs/dbraw/zinc/72/56/25/749725625.db2.gz ICJXQZHILLYJHU-PLNGDYQASA-N 1 0 321.381 1.416 20 5 DDBDRO CC[NH+](CC)CC(=O)NCCCN(C)c1ncccc1[N+](=O)[O-] ZINC001095566989 750046184 /nfs/dbraw/zinc/04/61/84/750046184.db2.gz KZKBUJWIXKKDPL-UHFFFAOYSA-N 1 0 323.397 1.274 20 5 DDBDRO CC[N+](C)(C)Cc1ccccc1NCCS(=O)(=O)N(C)C ZINC001168867643 762079228 /nfs/dbraw/zinc/07/92/28/762079228.db2.gz VWJXXCMNBRDAMF-UHFFFAOYSA-N 1 0 314.475 1.586 20 5 DDBDRO O=C(NCC1=CC[N@H+](CCC2CCCC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001000675939 762080075 /nfs/dbraw/zinc/08/00/75/762080075.db2.gz ZBRLAERSXSVXMC-HZPDHXFCSA-N 1 0 321.421 1.980 20 5 DDBDRO COC(=O)Cc1ccc(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1 ZINC001168977009 762146913 /nfs/dbraw/zinc/14/69/13/762146913.db2.gz GRYQQBLQDLRUNS-CABCVRRESA-N 1 0 306.362 1.937 20 5 DDBDRO COc1cc(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)cc(OC)c1O ZINC001168985016 762152231 /nfs/dbraw/zinc/15/22/31/762152231.db2.gz CAFYUWMWRBTVCN-CMPLNLGQSA-N 1 0 310.350 1.944 20 5 DDBDRO CN1C(=O)CCC12CCC([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001168964216 762157730 /nfs/dbraw/zinc/15/77/30/762157730.db2.gz RVLWLJUPWVEYQU-REWIBIJMSA-N 1 0 309.410 1.955 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C2CCN(c3ncccn3)CC2)C1 ZINC001168965809 762157805 /nfs/dbraw/zinc/15/78/05/762157805.db2.gz CNYLBCGBUAOOOA-OCCSQVGLSA-N 1 0 305.382 1.480 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2cnn(CC(F)(F)F)c2)C1 ZINC001168993629 762166589 /nfs/dbraw/zinc/16/65/89/762166589.db2.gz NUYLFCUSWVPIFU-KOLCDFICSA-N 1 0 306.288 1.980 20 5 DDBDRO COC[C@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)[C@@H](O)c1ccccc1 ZINC001168997275 762169793 /nfs/dbraw/zinc/16/97/93/762169793.db2.gz YLKCOLNWDIJQEK-UKMLZYKCSA-N 1 0 308.378 1.770 20 5 DDBDRO CCOC(=O)[C@@H]1CC[C@H](O)[C@@H]([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169006503 762174965 /nfs/dbraw/zinc/17/49/65/762174965.db2.gz YFACHPDIDSYGDL-POQQGIQPSA-N 1 0 314.382 1.114 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@@H](CO)Cc2ccc(F)cc2F)C1 ZINC001169007399 762176089 /nfs/dbraw/zinc/17/60/89/762176089.db2.gz NEIRKAHLKYHESS-LERXQTSPSA-N 1 0 314.332 1.903 20 5 DDBDRO CCOC(=O)c1cc(-n2c(C)cnc2C[NH3+])ccc1[N+](=O)[O-] ZINC001169031089 762187252 /nfs/dbraw/zinc/18/72/52/762187252.db2.gz WSKBMLKQJHCIBT-UHFFFAOYSA-N 1 0 304.306 1.724 20 5 DDBDRO Cc1ccnc(O[C@@H]2CC[N@@H+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)C2)n1 ZINC001169052443 762207198 /nfs/dbraw/zinc/20/71/98/762207198.db2.gz FXQUKIUJJHCXMG-MELADBBJSA-N 1 0 306.366 1.684 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCC(Oc3ccncn3)CC2)C1 ZINC001169052541 762207725 /nfs/dbraw/zinc/20/77/25/762207725.db2.gz HAHKVLRGDWOOSC-CHWSQXEVSA-N 1 0 306.366 1.765 20 5 DDBDRO [NH3+][C@@H](CO)Cc1cncn1-c1ccc([N+](=O)[O-])c2cnccc21 ZINC001169074597 762222769 /nfs/dbraw/zinc/22/27/69/762222769.db2.gz TWCKJYVNOSNQTE-SNVBAGLBSA-N 1 0 313.317 1.191 20 5 DDBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccncc2Cl)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001020138787 760613157 /nfs/dbraw/zinc/61/31/57/760613157.db2.gz AJIBGEZTJYTBOP-PRULPYPASA-N 1 0 324.768 1.137 20 5 DDBDRO O=C(COCC(F)F)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001131771392 768339015 /nfs/dbraw/zinc/33/90/15/768339015.db2.gz CVHHWRCHOPBRAN-UHFFFAOYSA-N 1 0 323.321 1.144 20 5 DDBDRO COc1ccc(C[C@@H](C)[NH2+]CCC(=O)N(C)C)c([N+](=O)[O-])c1 ZINC001170296718 766226500 /nfs/dbraw/zinc/22/65/00/766226500.db2.gz HTONCPFDNOFGOJ-LLVKDONJSA-N 1 0 309.366 1.602 20 5 DDBDRO COc1ccc(C[C@H](C)[NH2+]C[C@H]2COCCN2C)c([N+](=O)[O-])c1 ZINC001170305785 766231164 /nfs/dbraw/zinc/23/11/64/766231164.db2.gz PQCWWQRSXLIPPK-JSGCOSHPSA-N 1 0 323.393 1.455 20 5 DDBDRO CCOCC1(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001130412890 767507383 /nfs/dbraw/zinc/50/73/83/767507383.db2.gz HHKVYAHMNYBVCR-UHFFFAOYSA-N 1 0 321.377 1.617 20 5 DDBDRO CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC001097037350 771590915 /nfs/dbraw/zinc/59/09/15/771590915.db2.gz NAHWEXPHIFLHOD-HAQNSBGRSA-N 1 0 321.381 1.389 20 5 DDBDRO C[C@@H](Nc1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-])c1ncc(F)cn1 ZINC001171114361 772323095 /nfs/dbraw/zinc/32/30/95/772323095.db2.gz PBXPJBNQWMIUPT-SSDOTTSWSA-N 1 0 319.300 1.174 20 5 DDBDRO C[NH+](C)CCN(C(=O)c1cnc(N)c([N+](=O)[O-])c1)C1CCCC1 ZINC001144198244 772437771 /nfs/dbraw/zinc/43/77/71/772437771.db2.gz ZFWLWQHWUNMHIQ-UHFFFAOYSA-N 1 0 321.381 1.518 20 5 DDBDRO Cc1cnoc1C(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001146495187 772878283 /nfs/dbraw/zinc/87/82/83/772878283.db2.gz VTDPLNUYRIPEMI-UHFFFAOYSA-N 1 0 304.306 1.411 20 5 DDBDRO CC[NH+](CC)CC(=O)NCC1(Nc2ccc([N+](=O)[O-])cn2)CC1 ZINC001110148645 775032807 /nfs/dbraw/zinc/03/28/07/775032807.db2.gz NOCGIJHBAMQZIP-UHFFFAOYSA-N 1 0 321.381 1.392 20 5 DDBDRO CC(C)(C(=O)NCCNc1ccc([N+](=O)[O-])cn1)[NH+]1CCCC1 ZINC001094033678 775360306 /nfs/dbraw/zinc/36/03/06/775360306.db2.gz WNVIGCWXOSFVJR-UHFFFAOYSA-N 1 0 321.381 1.392 20 5 DDBDRO COC(=O)[C@@H]1COCC[C@@H]1[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173230161 777063668 /nfs/dbraw/zinc/06/36/68/777063668.db2.gz RISSTAQAWWECAY-DFBGVHRSSA-N 1 0 322.361 1.694 20 5 DDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1(CO)CCN(C)CC1 ZINC001173229998 777063683 /nfs/dbraw/zinc/06/36/83/777063683.db2.gz WVBQIEYBWAZVKL-CYBMUJFWSA-N 1 0 307.394 1.572 20 5 DDBDRO COC(=O)[C@@H]1C[N@@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC001173231935 777063945 /nfs/dbraw/zinc/06/39/45/777063945.db2.gz PAVWENMSIMTQIQ-DOMZBBRYSA-N 1 0 322.361 1.790 20 5 DDBDRO CC[NH+](CC)CC(=O)N(C)CCNc1ccccc1[N+](=O)[O-] ZINC001101628438 777322946 /nfs/dbraw/zinc/32/29/46/777322946.db2.gz JOKGXBCTNOKZKC-UHFFFAOYSA-N 1 0 308.382 1.807 20 5 DDBDRO COc1ccc(OCCN(C)Cc2ncccn2)c([N+](=O)[O-])c1 ZINC001175707410 777892915 /nfs/dbraw/zinc/89/29/15/777892915.db2.gz KWOTXOWUIZUJML-UHFFFAOYSA-N 1 0 318.333 1.904 20 5 DDBDRO C[C@H]([NH2+]C[C@H](O)C[C@]1(O)CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC001176036342 778008627 /nfs/dbraw/zinc/00/86/27/778008627.db2.gz JZVXUODQWUAAJZ-NILFDRSVSA-N 1 0 310.350 1.148 20 5 DDBDRO CCc1nccn1CCNC(=O)c1cc(C)cc([N+](=O)[O-])c1N ZINC001177513507 778629501 /nfs/dbraw/zinc/62/95/01/778629501.db2.gz DPULUXBIDOFTMU-UHFFFAOYSA-N 1 0 317.349 1.674 20 5 DDBDRO Cc1c(C(=O)N2CC([NH2+][C@H]3CCOC3)C2)cccc1[N+](=O)[O-] ZINC001179008682 779259980 /nfs/dbraw/zinc/25/99/80/779259980.db2.gz PXOSMIQDWRQVEF-NSHDSACASA-N 1 0 305.334 1.106 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(Cl)c(N)c([N+](=O)[O-])c3)C[C@@H]21 ZINC001119576847 781522032 /nfs/dbraw/zinc/52/20/32/781522032.db2.gz BSBBDIQSWQQWAE-PELKAZGASA-N 1 0 324.768 1.607 20 5 DDBDRO O=C(CCCF)N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC001266903697 837034542 /nfs/dbraw/zinc/03/45/42/837034542.db2.gz QUKKVTVTWTUCDM-VIKVFOODSA-N 1 0 321.352 1.891 20 5 DDBDRO CCc1ccccc1C[N@H+](C)CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001268238111 839876771 /nfs/dbraw/zinc/87/67/71/839876771.db2.gz WYXHINIHIUXCJO-HZPDHXFCSA-N 1 0 319.405 1.804 20 5 DDBDRO C[C@H](C[N+](C)(C)C)OCc1ccc(S(=O)(=O)N(C)C)cc1 ZINC001224057657 844734452 /nfs/dbraw/zinc/73/44/52/844734452.db2.gz VJGXYTTVIQBRRD-CYBMUJFWSA-N 1 0 315.459 1.548 20 5 DDBDRO C[C@@H]1C[NH2+]CCC[C@@H]1CNc1c(Cl)[n+]([O-])ccc1[N+](=O)[O-] ZINC001155027227 861658744 /nfs/dbraw/zinc/65/87/44/861658744.db2.gz ZYAMSRCQUMAOHA-NXEZZACHSA-N 1 0 314.773 1.929 20 5 DDBDRO Cc1cc(C(=O)NCCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC001155191481 861819711 /nfs/dbraw/zinc/81/97/11/861819711.db2.gz LFZBKQJNFYNOJD-UHFFFAOYSA-N 1 0 317.349 1.536 20 5 DDBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001293855048 849611507 /nfs/dbraw/zinc/61/15/07/849611507.db2.gz LHQXWTIHCFXOFB-JGVFFNPUSA-N 1 0 315.761 1.384 20 5 DDBDRO Cc1cnc(NC[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)c([N+](=O)[O-])c1 ZINC001155592469 862268823 /nfs/dbraw/zinc/26/88/23/862268823.db2.gz PKNFIXBWEDHKJO-SWLSCSKDSA-N 1 0 306.366 1.869 20 5 DDBDRO COc1cnc(N[C@@H]2CCO[C@@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC001155624003 862308478 /nfs/dbraw/zinc/30/84/78/862308478.db2.gz UTKPXDCTTHWXPF-YGRLFVJLSA-N 1 0 308.338 1.321 20 5 DDBDRO O=[N+]([O-])c1cc(N[C@@H]2CCO[C@]3(CC[NH2+]C3)C2)nc2[nH]ccc21 ZINC001155624663 862311137 /nfs/dbraw/zinc/31/11/37/862311137.db2.gz XFDDDUAFBWUUTJ-MEBBXXQBSA-N 1 0 317.349 1.794 20 5 DDBDRO O=[N+]([O-])c1ccc2nc(N[C@H]3C[NH2+][C@@H]4CCO[C@@H]43)cnc2c1 ZINC001155635636 862317238 /nfs/dbraw/zinc/31/72/38/862317238.db2.gz AMSRJOXGPPJCGN-OSMZGAPFSA-N 1 0 301.306 1.079 20 5 DDBDRO O=C(NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1cscn1 ZINC001155684056 862377021 /nfs/dbraw/zinc/37/70/21/862377021.db2.gz KGHRKVRBVUHFRG-UHFFFAOYSA-N 1 0 320.374 1.961 20 5 DDBDRO Cc1nc(N2CCO[C@H](CCC[NH+](C)C)C2)ncc1[N+](=O)[O-] ZINC001328070389 862674046 /nfs/dbraw/zinc/67/40/46/862674046.db2.gz BBMUQYVDLAFORP-GFCCVEGCSA-N 1 0 309.370 1.240 20 5 DDBDRO O=C(Cc1cc[nH]n1)NCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001156081894 862707286 /nfs/dbraw/zinc/70/72/86/862707286.db2.gz YDHMGTDBHKZWQT-UHFFFAOYSA-N 1 0 323.378 1.218 20 5 DDBDRO CC[C@H](C)[C@H](Nc1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1)C(=O)OC ZINC001156131684 862746163 /nfs/dbraw/zinc/74/61/63/862746163.db2.gz TTYOYDPFUCZDHO-KWQFWETISA-N 1 0 323.353 1.071 20 5 DDBDRO C[C@@H]1C[NH2+]C[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC001122226178 858719294 /nfs/dbraw/zinc/71/92/94/858719294.db2.gz GEXOLYQDGQXNAS-MNOVXSKESA-N 1 0 306.366 1.246 20 5 DDBDRO CC(C)(C)OC(=O)CCCOC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001224630227 881478420 /nfs/dbraw/zinc/47/84/20/881478420.db2.gz RWKXKIBABFKXMR-GFCCVEGCSA-N 1 0 304.407 1.109 20 5 DDBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001140146660 860581996 /nfs/dbraw/zinc/58/19/96/860581996.db2.gz IOEVCMKPKWHJDA-CMPLNLGQSA-N 1 0 319.365 1.271 20 5 DDBDRO C[NH2+][C@@H](C)CCNC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC001326132890 861125000 /nfs/dbraw/zinc/12/50/00/861125000.db2.gz MWWXZXZABZXVJD-LBPRGKRZSA-N 1 0 308.382 1.777 20 5 DDBDRO COC(=O)C1(Nc2nc(C)cc(C)c2[N+](=O)[O-])CC[NH2+]CC1 ZINC001156536736 863129449 /nfs/dbraw/zinc/12/94/49/863129449.db2.gz XOFJULUVGVPILS-UHFFFAOYSA-N 1 0 308.338 1.314 20 5 DDBDRO CC[NH+](CC)[C@H](C)CNC(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001156749240 863321402 /nfs/dbraw/zinc/32/14/02/863321402.db2.gz VXYOFFGFFXSMSE-SSDOTTSWSA-N 1 0 303.750 1.431 20 5 DDBDRO O=[N+]([O-])c1c[nH]c2ccc(NCC[NH+]3CCSCC3)nc21 ZINC001157043118 863534197 /nfs/dbraw/zinc/53/41/97/863534197.db2.gz CCHLHCRSVJGMFH-UHFFFAOYSA-N 1 0 307.379 1.932 20 5 DDBDRO Cc1n[nH]c(C(=O)N2CCCC3(CC[NH2+]CC3)C2)c1[N+](=O)[O-] ZINC001329283677 863576741 /nfs/dbraw/zinc/57/67/41/863576741.db2.gz NGHFGDMHUOFHEB-UHFFFAOYSA-N 1 0 307.354 1.232 20 5 DDBDRO CCOc1nc(N[C@H](CCC[NH3+])C(=O)OC)ccc1[N+](=O)[O-] ZINC001157118046 863597334 /nfs/dbraw/zinc/59/73/34/863597334.db2.gz WVOXRNSTERNPGC-SECBINFHSA-N 1 0 312.326 1.081 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@H]2CCC[N@H+](C)[C@H]2C1 ZINC001157259094 863688886 /nfs/dbraw/zinc/68/88/86/863688886.db2.gz CQCIZUODGUGMID-MFKMUULPSA-N 1 0 320.349 1.307 20 5 DDBDRO COC(=O)c1cnc(N2C[C@@H]3CCC[N@H+](C)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001157266083 863696115 /nfs/dbraw/zinc/69/61/15/863696115.db2.gz NQEOHOJJWFQXQE-GXFFZTMASA-N 1 0 320.349 1.307 20 5 DDBDRO C[NH2+]CCN(c1c(Cl)[n+]([O-])ccc1[N+](=O)[O-])C(C)(C)C ZINC001157829778 864175986 /nfs/dbraw/zinc/17/59/86/864175986.db2.gz GUDGBKQWHJAUDO-UHFFFAOYSA-N 1 0 302.762 1.706 20 5 DDBDRO CCOC(=O)c1ccnc(N2C[C@H](C)[NH2+][C@@H](C)C2)c1[N+](=O)[O-] ZINC001158184703 864474615 /nfs/dbraw/zinc/47/46/15/864474615.db2.gz HJVLXDUQKWGZPR-UWVGGRQHSA-N 1 0 308.338 1.353 20 5 DDBDRO CN(C)/C=C/c1cc(N2CC[N@@H+]3CC[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001158432321 864652548 /nfs/dbraw/zinc/65/25/48/864652548.db2.gz JMNFRUIWKJPLIC-MASHWEEQSA-N 1 0 303.366 1.416 20 5 DDBDRO C[C@@H](C[NH3+])C(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC001330961185 864739628 /nfs/dbraw/zinc/73/96/28/864739628.db2.gz PJKWBCDUPXYELN-ZETCQYMHSA-N 1 0 316.155 1.568 20 5 DDBDRO C[C@@H](Nc1nccc2cc([N+](=O)[O-])ccc21)[C@@H]1C[NH2+]CCO1 ZINC001159499652 865355478 /nfs/dbraw/zinc/35/54/78/865355478.db2.gz BBJQJSCILDQGAE-YGRLFVJLSA-N 1 0 302.334 1.932 20 5 DDBDRO O=C(NCCC1=CC[N@H+](CC2CCCC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001160090425 865675524 /nfs/dbraw/zinc/67/55/24/865675524.db2.gz FQYZVGDVUGMKAT-HZPDHXFCSA-N 1 0 321.421 1.980 20 5 DDBDRO [NH2+]=C(Cc1ccc(O[C@@H](C[N+](=O)[O-])c2cccnc2)cc1)NO ZINC001225547452 881899837 /nfs/dbraw/zinc/89/98/37/881899837.db2.gz XIGCJAOLNRMVOO-AWEZNQCLSA-N 1 0 316.317 1.977 20 5 DDBDRO COC(=O)c1ccnc(N[C@H]2CC[N@@H+](C3CCC3)C2)c1[N+](=O)[O-] ZINC001161176668 866424159 /nfs/dbraw/zinc/42/41/59/866424159.db2.gz AHBLVHYHLIVSIK-JTQLQIEISA-N 1 0 320.349 1.815 20 5 DDBDRO C[C@H]([NH2+]CCN1CCC(CO)CC1)c1cccc([N+](=O)[O-])c1 ZINC001320023148 866434664 /nfs/dbraw/zinc/43/46/64/866434664.db2.gz BUJOXILEDSPIOI-ZDUSSCGKSA-N 1 0 307.394 1.950 20 5 DDBDRO [NH3+]C1(c2cccnc2)CCN(c2cc([N+](=O)[O-])cc[n+]2[O-])CC1 ZINC001161581798 866783348 /nfs/dbraw/zinc/78/33/48/866783348.db2.gz ZQSAPDMOZFXZSZ-UHFFFAOYSA-N 1 0 315.333 1.078 20 5 DDBDRO C[NH+]1CCN(CCCNc2cnc(Cl)cc2[N+](=O)[O-])CC1 ZINC001161703312 866911932 /nfs/dbraw/zinc/91/19/32/866911932.db2.gz CNSCBLKEMYRXSD-UHFFFAOYSA-N 1 0 313.789 1.693 20 5 DDBDRO CN1CC[NH+](CCCNc2cccc3ncc([N+](=O)[O-])n32)CC1 ZINC001161710355 866922533 /nfs/dbraw/zinc/92/25/33/866922533.db2.gz DGXDCBSFCBTNAK-UHFFFAOYSA-N 1 0 318.381 1.292 20 5 DDBDRO CN(CC[N@H+](C)CCO)c1ccc([N+](=O)[O-])c2cnccc21 ZINC001333822055 867045077 /nfs/dbraw/zinc/04/50/77/867045077.db2.gz GASSHMORLGVKEC-UHFFFAOYSA-N 1 0 304.350 1.503 20 5 DDBDRO [NH3+]Cc1nc2cnccc2n1-c1ncc([N+](=O)[O-])cc1Cl ZINC001162214214 867341812 /nfs/dbraw/zinc/34/18/12/867341812.db2.gz GNLXNWBMLFPUEN-UHFFFAOYSA-N 1 0 304.697 1.836 20 5 DDBDRO CCOC(=O)c1cc(NC[C@@H]2C[C@H](F)C[NH2+]2)ccc1[N+](=O)[O-] ZINC001162480979 867564763 /nfs/dbraw/zinc/56/47/63/867564763.db2.gz AOQWWKIDGPWDSB-ONGXEEELSA-N 1 0 311.313 1.883 20 5 DDBDRO O=[N+]([O-])c1ccnc(Cl)c1NCc1nnn2c1C[NH2+]CCC2 ZINC001162973651 867961217 /nfs/dbraw/zinc/96/12/17/867961217.db2.gz NIXORLBCKJUMGY-UHFFFAOYSA-N 1 0 323.744 1.340 20 5 DDBDRO COc1cc(N[C@H]2COCCC23C[NH2+]C3)cc([N+](=O)[O-])c1C ZINC001163079330 868061864 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869652645 /nfs/dbraw/zinc/65/26/45/869652645.db2.gz ZXRKZUFYVVHDNO-HZSPNIEDSA-N 1 0 303.362 1.973 20 5 DDBDRO CCOC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1O[C@H](C)C[NH+](C)C ZINC001226310746 882343408 /nfs/dbraw/zinc/34/34/08/882343408.db2.gz QJHKBRGXVGJDAJ-MRVPVSSYSA-N 1 0 313.310 1.201 20 5 DDBDRO C[C@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC001339681584 870631320 /nfs/dbraw/zinc/63/13/20/870631320.db2.gz XOJNEOSFSJCHDR-WDEREUQCSA-N 1 0 309.370 1.653 20 5 DDBDRO COC(=O)c1cc(O[C@@H]2CC[N@H+](C)C2)c(OC)cc1[N+](=O)[O-] ZINC001226440879 882433313 /nfs/dbraw/zinc/43/33/13/882433313.db2.gz GWJHZQVYZHMNMD-SECBINFHSA-N 1 0 310.306 1.473 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)C[C@@H]1C[NH2+]C[C@H]1C ZINC001340622700 871242429 /nfs/dbraw/zinc/24/24/29/871242429.db2.gz YAZTXEPEAYFNMW-GHMZBOCLSA-N 1 0 307.350 1.465 20 5 DDBDRO CC(C)[N@H+](C)CC1CCN(c2nnc([C@H](C)[N+](=O)[O-])n2C)CC1 ZINC001341358558 871620030 /nfs/dbraw/zinc/62/00/30/871620030.db2.gz IHYNNEIVYHFRGY-LBPRGKRZSA-N 1 0 324.429 1.709 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@]12CC[C@H]1C[NH2+]C2 ZINC001341482510 871679427 /nfs/dbraw/zinc/67/94/27/871679427.db2.gz RKQNUQLQTJXBTE-NHYWBVRUSA-N 1 0 305.334 1.219 20 5 DDBDRO CO[C@@H]1C[NH2+][C@](C)(C(=O)NC[C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC001342071806 871985528 /nfs/dbraw/zinc/98/55/28/871985528.db2.gz CZMUCNDRBDJYRH-WQGACYEGSA-N 1 0 321.377 1.582 20 5 DDBDRO [NH3+][C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)CC[C@@H]1C(F)(F)F ZINC001342490832 872234403 /nfs/dbraw/zinc/23/44/03/872234403.db2.gz ASOLXJGDQBRGIO-QWRGUYRKSA-N 1 0 317.267 1.947 20 5 DDBDRO COCC(=O)N(C)C1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001316928684 872400786 /nfs/dbraw/zinc/40/07/86/872400786.db2.gz NYUDSIGIQFQOGH-UHFFFAOYSA-N 1 0 321.377 1.664 20 5 DDBDRO COc1c(O)ccc(CN2CCC[N@@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC001342829737 872405556 /nfs/dbraw/zinc/40/55/56/872405556.db2.gz LSUYWYYWQDIBSO-ZDUSSCGKSA-N 1 0 321.377 1.979 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@@H]3CCCC[C@@H]3C2)c1 ZINC001319181580 872482370 /nfs/dbraw/zinc/48/23/70/872482370.db2.gz MKZCNYDJRIZNDQ-GZBFAFLISA-N 1 0 308.382 1.664 20 5 DDBDRO O=C(N[C@@H]1C[NH2+]CC2(CCOCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC001344643563 873064659 /nfs/dbraw/zinc/06/46/59/873064659.db2.gz VASVTEOCXMXOAR-ZDUSSCGKSA-N 1 0 319.361 1.483 20 5 DDBDRO COC[C@@H]1C[NH2+]CCN1C(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001345645541 873464966 /nfs/dbraw/zinc/46/49/66/873464966.db2.gz DQYXOUNWUMMFSP-ZNMIVQPWSA-N 1 0 319.361 1.145 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccccc1N1CCCC1 ZINC001227197496 882905636 /nfs/dbraw/zinc/90/56/36/882905636.db2.gz CASCOZVBNFGKGZ-CQSZACIVSA-N 1 0 307.414 1.649 20 5 DDBDRO C[C@@H](C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)NCC(F)F ZINC001353353912 877271791 /nfs/dbraw/zinc/27/17/91/877271791.db2.gz NQPBUDSCMXWSBI-CABZTGNLSA-N 1 0 303.309 1.461 20 5 DDBDRO NC(=O)CNC(=O)[C@@H]([NH3+])Cc1c2ccccc2cc2ccccc21 ZINC001219561168 878336045 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C[N@H+](CCCNC(=O)C(F)F)Cc1ccccc1[N+](=O)[O-] ZINC001231027116 885145535 /nfs/dbraw/zinc/14/55/35/885145535.db2.gz BTHQNIONRHQGFP-UHFFFAOYSA-N 1 0 301.293 1.798 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CC3(F)COC3)CC2)cc1 ZINC001254467079 896453949 /nfs/dbraw/zinc/45/39/49/896453949.db2.gz VPMQXDFZFJMHBY-UHFFFAOYSA-N 1 0 309.341 1.892 20 5 DDBDRO CC(=O)N1C[C@@H]2C[C@]2([NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001254532342 896489384 /nfs/dbraw/zinc/48/93/84/896489384.db2.gz NEFZRQIMYIHGHB-PJODQICGSA-N 1 0 303.362 1.736 20 5 DDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CCN(CCO)CC1 ZINC001254539550 896494427 /nfs/dbraw/zinc/49/44/27/896494427.db2.gz IMFXHWQCFLFZKP-ZDUSSCGKSA-N 1 0 307.394 1.572 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@]2(CCNC2=O)C1 ZINC001254553086 896499630 /nfs/dbraw/zinc/49/96/30/896499630.db2.gz RWVQEIUHSFCQJW-MLGOLLRUSA-N 1 0 303.362 1.738 20 5 DDBDRO COc1cc(N2CCC(N3CC(C)([NH3+])C3)CC2)ccc1[N+](=O)[O-] ZINC001256092399 897282711 /nfs/dbraw/zinc/28/27/11/897282711.db2.gz LSMDEHZTXIUUTE-UHFFFAOYSA-N 1 0 320.393 1.605 20 5 DDBDRO C[C@@](O)(C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC001262572128 900254195 /nfs/dbraw/zinc/25/41/95/900254195.db2.gz LTQRAQAPMNVSKU-GHMZBOCLSA-N 1 0 308.256 1.531 20 5 DDBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CCn2cccn2)n1 ZINC000447584371 230478447 /nfs/dbraw/zinc/47/84/47/230478447.db2.gz FJMJYAHTTDXSRB-STQMWFEESA-N 1 0 304.354 1.761 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)n1 ZINC000248671347 282098453 /nfs/dbraw/zinc/09/84/53/282098453.db2.gz QSCYALNLGWISIQ-NEPJUHHUSA-N 1 0 323.397 1.661 20 5 DDBDRO Nc1c(C(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cccc1[N+](=O)[O-] ZINC000449202461 230588303 /nfs/dbraw/zinc/58/83/03/230588303.db2.gz FNJMFNISHVNOIE-VXGBXAGGSA-N 1 0 318.377 1.639 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000450852617 230805451 /nfs/dbraw/zinc/80/54/51/230805451.db2.gz CYKWMOPOKZQZQM-RAIGVLPGSA-N 1 0 306.366 1.766 20 5 DDBDRO C[C@@]12C[N@H+](CCn3cc([N+](=O)[O-])ccc3=O)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000451378586 231081369 /nfs/dbraw/zinc/08/13/69/231081369.db2.gz YLHKBCFTWRHOJX-RMRKRWHISA-N 1 0 315.373 1.901 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[N@H+]2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)n1 ZINC000451345391 231072874 /nfs/dbraw/zinc/07/28/74/231072874.db2.gz QROGHMBOQHWSSC-BFHYXJOUSA-N 1 0 308.382 1.807 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCNS(C)(=O)=O ZINC000453087212 231459109 /nfs/dbraw/zinc/45/91/09/231459109.db2.gz YPKXGPDEPICCPJ-LLVKDONJSA-N 1 0 315.395 1.055 20 5 DDBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc([S@](C)=O)cc1 ZINC000090539598 185301649 /nfs/dbraw/zinc/30/16/49/185301649.db2.gz AJEANENIKJWAOG-RKFFSXRUSA-N 1 0 322.390 1.880 20 5 DDBDRO C[N@@H+]1CCC[C@H]2CN(CCn3cc([N+](=O)[O-])ccc3=O)CC[C@@H]21 ZINC000090552602 185302985 /nfs/dbraw/zinc/30/29/85/185302985.db2.gz IHEYZFTXTUANNS-ZFWWWQNUSA-N 1 0 320.393 1.173 20 5 DDBDRO C[NH2+]C[C@@H](C)CNS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000193276508 290681278 /nfs/dbraw/zinc/68/12/78/290681278.db2.gz OQVOJMJYFDIHSU-SECBINFHSA-N 1 0 315.395 1.345 20 5 DDBDRO C[NH+](C)C[C@@H]1CN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])CCO1 ZINC000255379648 282252575 /nfs/dbraw/zinc/25/25/75/282252575.db2.gz YTVLYEUKMLPIJE-WBTMPAOCSA-N 1 0 319.361 1.397 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(CC(=O)Nc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000451633433 529798252 /nfs/dbraw/zinc/79/82/52/529798252.db2.gz PUQNENJIMHVPRW-RISCZKNCSA-N 1 0 304.350 1.169 20 5 DDBDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000272247700 282317710 /nfs/dbraw/zinc/31/77/10/282317710.db2.gz LKKBCTJKLYNXNV-ONGXEEELSA-N 1 0 311.769 1.986 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000330660691 231976071 /nfs/dbraw/zinc/97/60/71/231976071.db2.gz URVYOQSLBYVNRT-CYBMUJFWSA-N 1 0 320.393 1.269 20 5 DDBDRO C[C@@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)C1=CC[N@H+](C)CC1 ZINC000272748875 210152216 /nfs/dbraw/zinc/15/22/16/210152216.db2.gz NYZOGGJQKYFWBP-GFCCVEGCSA-N 1 0 303.362 1.904 20 5 DDBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)Cn2cccn2)cc1[N+](=O)[O-] ZINC000181836733 199360281 /nfs/dbraw/zinc/36/02/81/199360281.db2.gz UTQSPQVKAGDAEM-OCCSQVGLSA-N 1 0 304.350 1.811 20 5 DDBDRO CC1CC[NH+](CCCCNC(=O)c2c([N+](=O)[O-])cnn2C)CC1 ZINC000162206452 290793288 /nfs/dbraw/zinc/79/32/88/290793288.db2.gz CSAFGVSKACAYGD-UHFFFAOYSA-N 1 0 323.397 1.570 20 5 DDBDRO CC1(C)C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H]1O ZINC000279708058 215079451 /nfs/dbraw/zinc/07/94/51/215079451.db2.gz HRPSJSAVIJIJMO-GXTWGEPZSA-N 1 0 310.350 1.037 20 5 DDBDRO COc1ccc(S(=O)(=O)N[C@@H](C)C[C@@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000320480624 290820094 /nfs/dbraw/zinc/82/00/94/290820094.db2.gz GUNPGORFOJFVGK-BDAKNGLRSA-N 1 0 317.367 1.008 20 5 DDBDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000564551133 304000275 /nfs/dbraw/zinc/00/02/75/304000275.db2.gz BJJSSHVMGFWPDR-NEPJUHHUSA-N 1 0 322.365 1.352 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H](O)C(C)(C)C1 ZINC000279790387 215148914 /nfs/dbraw/zinc/14/89/14/215148914.db2.gz OGTRKTFUTSUYRQ-CQSZACIVSA-N 1 0 321.377 1.935 20 5 DDBDRO CCOC1CC([N@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000286995195 219261464 /nfs/dbraw/zinc/26/14/64/219261464.db2.gz PRWDNCVBAOEPJF-UHFFFAOYSA-N 1 0 307.350 1.693 20 5 DDBDRO CC1(C)CN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC[NH2+]1 ZINC000342932859 282623820 /nfs/dbraw/zinc/62/38/20/282623820.db2.gz HXGGLRDSZUSMGN-UHFFFAOYSA-N 1 0 302.334 1.900 20 5 DDBDRO CON1CCC([N@H+](C)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000459591238 233344185 /nfs/dbraw/zinc/34/41/85/233344185.db2.gz TUQNTRBENHDLMJ-UHFFFAOYSA-N 1 0 309.366 1.931 20 5 DDBDRO CCCC[C@H](C[NH3+])NS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000150328796 186056845 /nfs/dbraw/zinc/05/68/45/186056845.db2.gz OTMBXFUVJWMHJY-LLVKDONJSA-N 1 0 315.395 1.699 20 5 DDBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2C[NH2+]CCO2)c1 ZINC000564841361 304018201 /nfs/dbraw/zinc/01/82/01/304018201.db2.gz FXUMTBOAZYZUAM-SECBINFHSA-N 1 0 311.363 1.035 20 5 DDBDRO Cc1cccnc1C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000564845113 304018919 /nfs/dbraw/zinc/01/89/19/304018919.db2.gz UERVSCXDDVPHHG-ZDUSSCGKSA-N 1 0 317.345 1.828 20 5 DDBDRO CN1CCC[C@H]1C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000564857524 304020273 /nfs/dbraw/zinc/02/02/73/304020273.db2.gz UZJZFFIHFUNTII-QWHCGFSZSA-N 1 0 309.366 1.018 20 5 DDBDRO COCCNC(=O)C1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000025809344 352202164 /nfs/dbraw/zinc/20/21/64/352202164.db2.gz CLQPEZNSHXHLKL-UHFFFAOYSA-N 1 0 321.377 1.569 20 5 DDBDRO C[C@@H](c1cccc(O)c1)[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000072630225 191205157 /nfs/dbraw/zinc/20/51/57/191205157.db2.gz QFZOFCAXHORIPK-NHYWBVRUSA-N 1 0 320.349 1.551 20 5 DDBDRO O=C(NCC1([NH+]2CCCCC2)CCCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000047295365 352489593 /nfs/dbraw/zinc/48/95/93/352489593.db2.gz BQBZVMXICACNEW-ZIAGYGMSSA-N 1 0 309.410 1.957 20 5 DDBDRO CC[C@H](C)[N@H+](C)CCNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000066137800 352979441 /nfs/dbraw/zinc/97/94/41/352979441.db2.gz BURPGBDVGAZKQL-LBPRGKRZSA-N 1 0 309.366 1.820 20 5 DDBDRO CCCC[NH+]1CCC(NC(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000068442017 353112270 /nfs/dbraw/zinc/11/22/70/353112270.db2.gz RANCXZDFNLHJQM-UHFFFAOYSA-N 1 0 323.397 1.562 20 5 DDBDRO C[C@H](CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[NH+]1CCCC1 ZINC000068064869 353084798 /nfs/dbraw/zinc/08/47/98/353084798.db2.gz CDTGHOSFOYHVKR-SNVBAGLBSA-N 1 0 317.349 1.685 20 5 DDBDRO COc1ccc(CC(=O)N2CCC([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000069380685 353159633 /nfs/dbraw/zinc/15/96/33/353159633.db2.gz JPFRXNYUWZWTOC-UHFFFAOYSA-N 1 0 321.377 1.699 20 5 DDBDRO O=C1CC2(CN1)CC[NH+](CCOc1ccc([N+](=O)[O-])cc1)CC2 ZINC000075013367 353342692 /nfs/dbraw/zinc/34/26/92/353342692.db2.gz JFTJVKWVYSSBIC-UHFFFAOYSA-N 1 0 319.361 1.576 20 5 DDBDRO CCc1n[nH]c(C(=O)N2CC[C@H](C[NH+](CC)CC)C2)c1[N+](=O)[O-] ZINC000174759713 198380993 /nfs/dbraw/zinc/38/09/93/198380993.db2.gz SBWHBDBACCGKJH-LLVKDONJSA-N 1 0 323.397 1.684 20 5 DDBDRO Cc1cc(N2CCN(C(=O)C[NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000076650216 353431072 /nfs/dbraw/zinc/43/10/72/353431072.db2.gz MTKRWSSUYZYZHM-UHFFFAOYSA-N 1 0 306.366 1.113 20 5 DDBDRO Cc1ccc(NC(=O)NCC2(O)CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000077658605 353480763 /nfs/dbraw/zinc/48/07/63/353480763.db2.gz WKMMQKPERPNUCC-UHFFFAOYSA-N 1 0 322.365 1.481 20 5 DDBDRO Nc1nc(N2CC[C@@H](C[NH+]3CCCCC3)C2)ncc1[N+](=O)[O-] ZINC000078425146 353515885 /nfs/dbraw/zinc/51/58/85/353515885.db2.gz RJSVYQQAYBUJLT-NSHDSACASA-N 1 0 306.370 1.279 20 5 DDBDRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])CC1 ZINC000084259671 353719253 /nfs/dbraw/zinc/71/92/53/353719253.db2.gz CBXNSHIHRSKCQV-CVEARBPZSA-N 1 0 317.389 1.775 20 5 DDBDRO C[N@H+](CCNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)C1CC1 ZINC000087135694 353747316 /nfs/dbraw/zinc/74/73/16/353747316.db2.gz AOCJZTDVMOMTCZ-UHFFFAOYSA-N 1 0 318.377 1.757 20 5 DDBDRO O=C(CC[N@@H+]1CCc2n[nH]cc2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000091078983 353809235 /nfs/dbraw/zinc/80/92/35/353809235.db2.gz KJKFOHHVIYQBQU-UHFFFAOYSA-N 1 0 315.333 1.705 20 5 DDBDRO CC[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1c(C)nn(C)c1C ZINC000090538493 353795145 /nfs/dbraw/zinc/79/51/45/353795145.db2.gz CECDRNSAZBKMSE-ZDUSSCGKSA-N 1 0 306.370 1.883 20 5 DDBDRO CCCc1n[nH]c(C(=O)NC[C@@H]2CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000109689360 353957454 /nfs/dbraw/zinc/95/74/54/353957454.db2.gz KYBLBXUEWPENRT-JTQLQIEISA-N 1 0 309.370 1.342 20 5 DDBDRO C[C@H]([NH3+])[C@@H]1CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000127801592 354068079 /nfs/dbraw/zinc/06/80/79/354068079.db2.gz WGGJAJTUUOGUBK-UFBFGSQYSA-N 1 0 313.741 1.436 20 5 DDBDRO [NH3+][C@H]1CCC[C@@H](NS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000125087900 354044083 /nfs/dbraw/zinc/04/40/83/354044083.db2.gz HBHUGBOQLIRJGN-NWDGAFQWSA-N 1 0 313.379 1.284 20 5 DDBDRO COc1ccc(C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000142317188 354143968 /nfs/dbraw/zinc/14/39/68/354143968.db2.gz NYYKIZHHPZHLTE-ZDUSSCGKSA-N 1 0 319.361 1.914 20 5 DDBDRO CC(C)[NH2+]CCC(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000169188412 354251246 /nfs/dbraw/zinc/25/12/46/354251246.db2.gz JSHTXONWOMFXJS-GFCCVEGCSA-N 1 0 321.381 1.391 20 5 DDBDRO CCSCC[C@@H](C)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000160128493 354236757 /nfs/dbraw/zinc/23/67/57/354236757.db2.gz UAKOYUMNECOVND-ZYHUDNBSSA-N 1 0 302.400 1.274 20 5 DDBDRO COc1cc(C(=O)N2CC[NH+](CC3CC3)CC2)ccc1[N+](=O)[O-] ZINC000160638389 354240375 /nfs/dbraw/zinc/24/03/75/354240375.db2.gz DXFZSBKYKGYSKH-UHFFFAOYSA-N 1 0 319.361 1.771 20 5 DDBDRO C[C@H](CC[NH+](C)C)NC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000272357274 209751342 /nfs/dbraw/zinc/75/13/42/209751342.db2.gz PIZVMLNTYJVKBB-MRVPVSSYSA-N 1 0 323.378 1.670 20 5 DDBDRO CC[N@H+](C)C[C@H](O)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000319518175 354521825 /nfs/dbraw/zinc/52/18/25/354521825.db2.gz JGLLNJUTMKWCOV-ZDUSSCGKSA-N 1 0 305.338 1.166 20 5 DDBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2COCC[C@H]2O)cc1[N+](=O)[O-] ZINC000601306641 358488600 /nfs/dbraw/zinc/48/86/00/358488600.db2.gz NOXHNNDTVQZWNJ-ZKYQVNSYSA-N 1 0 310.350 1.794 20 5 DDBDRO O=[N+]([O-])c1ccc(Cn2cc([C@H]3CCC[NH2+]C3)nn2)c(F)c1 ZINC000404846861 354676810 /nfs/dbraw/zinc/67/68/10/354676810.db2.gz NAVJLRBNNYVXIY-JTQLQIEISA-N 1 0 305.313 1.841 20 5 DDBDRO CC[C@@H]1C[C@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000584835277 354778693 /nfs/dbraw/zinc/77/86/93/354778693.db2.gz VFZRZRWYYIIFOF-HZSPNIEDSA-N 1 0 324.377 1.882 20 5 DDBDRO C[C@@H](NC(=O)c1c[nH]nc1[N+](=O)[O-])[C@@H](c1ccccc1)[NH+](C)C ZINC000588683518 354928143 /nfs/dbraw/zinc/92/81/43/354928143.db2.gz KTJAEZAPSSJIGT-MFKMUULPSA-N 1 0 317.349 1.739 20 5 DDBDRO Cc1sc(C(=O)N[C@@H](CO)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000588870012 354945097 /nfs/dbraw/zinc/94/50/97/354945097.db2.gz SFGQNFGWLCZRCL-SNVBAGLBSA-N 1 0 313.379 1.151 20 5 DDBDRO C[N@@H+]1C[C@H]2CCN(C(=O)COc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000590044134 355042414 /nfs/dbraw/zinc/04/24/14/355042414.db2.gz HGHYQLITGDWLKP-DGCLKSJQSA-N 1 0 305.334 1.136 20 5 DDBDRO C[NH+]1CCC2(CCN(C(=O)c3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000590375553 355078204 /nfs/dbraw/zinc/07/82/04/355078204.db2.gz HBOBBAOPVHMKFK-UHFFFAOYSA-N 1 0 304.350 1.548 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)C[C@@H]1CCOC1 ZINC000494968481 235108549 /nfs/dbraw/zinc/10/85/49/235108549.db2.gz CNBYCCQYPBLKFC-LBPRGKRZSA-N 1 0 307.350 1.810 20 5 DDBDRO CO[C@H](C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C1CC1 ZINC000590195570 355057467 /nfs/dbraw/zinc/05/74/67/355057467.db2.gz BQGHTDGNKFTQJW-OAHLLOKOSA-N 1 0 308.334 1.881 20 5 DDBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000590404335 355086146 /nfs/dbraw/zinc/08/61/46/355086146.db2.gz ZDCYZYSWUCVLOX-FZMZJTMJSA-N 1 0 307.350 1.525 20 5 DDBDRO C[N@@H+]1C[C@@H]2CCN(C(=O)CNc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000590442839 355096434 /nfs/dbraw/zinc/09/64/34/355096434.db2.gz HLYSCOOTNPVXSX-SMDDNHRTSA-N 1 0 304.350 1.169 20 5 DDBDRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000590444459 355098681 /nfs/dbraw/zinc/09/86/81/355098681.db2.gz LZJTWHXXBUCMKJ-UFBFGSQYSA-N 1 0 308.313 1.092 20 5 DDBDRO CC[C@H]1[C@H](CO)CC[N@@H+]1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000590655917 355138934 /nfs/dbraw/zinc/13/89/34/355138934.db2.gz MZFNRPSVYUMKFS-AAEUAGOBSA-N 1 0 322.361 1.959 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@H](CCCO)C2)c1 ZINC000590663820 355139989 /nfs/dbraw/zinc/13/99/89/355139989.db2.gz PRAROIVFINRYHH-LBPRGKRZSA-N 1 0 322.361 1.976 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000591270620 355274463 /nfs/dbraw/zinc/27/44/63/355274463.db2.gz YVVPWUFHTHKMDZ-NOZJJQNGSA-N 1 0 324.337 1.183 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000591270573 355274578 /nfs/dbraw/zinc/27/45/78/355274578.db2.gz QWAFSZWIEZYHEI-GXFFZTMASA-N 1 0 320.349 1.819 20 5 DDBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC[C@H]1CCCC[NH2+]1 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308.382 1.880 20 5 DDBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000592217837 355542345 /nfs/dbraw/zinc/54/23/45/355542345.db2.gz YPQFLRPSFWZWQO-GHMZBOCLSA-N 1 0 324.385 1.264 20 5 DDBDRO CC1([NH3+])CCN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CC1 ZINC000592331099 355560469 /nfs/dbraw/zinc/56/04/69/355560469.db2.gz HMUGXIQJEAAIEK-UHFFFAOYSA-N 1 0 321.333 1.319 20 5 DDBDRO CC1([NH3+])CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000592330692 355560472 /nfs/dbraw/zinc/56/04/72/355560472.db2.gz BGZZVMCSGAHTRV-UHFFFAOYSA-N 1 0 303.322 1.425 20 5 DDBDRO O=[N+]([O-])c1cc2c(cc1CN1CC[C@H]3[NH2+]CC[C@@H]3C1)OCCO2 ZINC000592433584 355582565 /nfs/dbraw/zinc/58/25/65/355582565.db2.gz DMMFYKHSHYPMEQ-DGCLKSJQSA-N 1 0 319.361 1.550 20 5 DDBDRO COC(=O)[C@H]1C[NH2+]CCCN1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000592435277 355583482 /nfs/dbraw/zinc/58/34/82/355583482.db2.gz SFIHUCMJWXLWNN-NFBGWVBBSA-N 1 0 319.361 1.445 20 5 DDBDRO CC[C@@H]1CN(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC[C@H]1[NH3+] ZINC000592486175 355596473 /nfs/dbraw/zinc/59/64/73/355596473.db2.gz XJUZOVCVKJFZHV-TZMCWYRMSA-N 1 0 320.393 1.901 20 5 DDBDRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1Cc1ccccc1[N+](=O)[O-] ZINC000592526258 355612567 /nfs/dbraw/zinc/61/25/67/355612567.db2.gz WNDSTZYSZGXDLO-LBPRGKRZSA-N 1 0 306.366 1.147 20 5 DDBDRO O=[N+]([O-])c1ccc2[nH]nc(-c3nc([C@H]4CCC[NH2+]4)no3)c2c1 ZINC000592356640 355565649 /nfs/dbraw/zinc/56/56/49/355565649.db2.gz BURQAHASVRWNBF-SNVBAGLBSA-N 1 0 300.278 1.946 20 5 DDBDRO O=[N+]([O-])c1cc2c(cc1-c1nc([C@H]3CCC[NH2+]3)no1)OCCO2 ZINC000592356686 355566140 /nfs/dbraw/zinc/56/61/40/355566140.db2.gz FGYSYJQVSUOWMS-SECBINFHSA-N 1 0 318.289 1.841 20 5 DDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CC23CC[NH2+]CC3)s1 ZINC000592390502 355574040 /nfs/dbraw/zinc/57/40/40/355574040.db2.gz YWIZPEYHYZOUHD-QMMMGPOBSA-N 1 0 317.392 1.077 20 5 DDBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000592568414 355631725 /nfs/dbraw/zinc/63/17/25/355631725.db2.gz KJZWMVGHZFHVFR-BDAKNGLRSA-N 1 0 309.322 1.222 20 5 DDBDRO CC(C)([NH3+])CCC(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000592965845 355757146 /nfs/dbraw/zinc/75/71/46/355757146.db2.gz SSUXJZQYUYHRAW-NSHDSACASA-N 1 0 321.381 1.520 20 5 DDBDRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000593720278 355976391 /nfs/dbraw/zinc/97/63/91/355976391.db2.gz JPMZGUOOVYVVRN-FZMZJTMJSA-N 1 0 307.325 1.439 20 5 DDBDRO CCOc1ccc([C@@H](C)[NH2+][C@H]2C[C@@H](C(N)=O)C2)cc1[N+](=O)[O-] ZINC000593723952 355977376 /nfs/dbraw/zinc/97/73/76/355977376.db2.gz VPEJANURLUQSIL-JLLWLGSASA-N 1 0 307.350 1.908 20 5 DDBDRO C[N@H+]1C[C@H]2CN(C(=O)Cc3ccc(F)cc3[N+](=O)[O-])C[C@H]2C1 ZINC000593664339 355959867 /nfs/dbraw/zinc/95/98/67/355959867.db2.gz PKFABLKIBLWVTB-TXEJJXNPSA-N 1 0 307.325 1.296 20 5 DDBDRO COCC[NH2+]C1CCN(C(=O)c2cccc(C)c2[N+](=O)[O-])CC1 ZINC000593913954 356057418 /nfs/dbraw/zinc/05/74/18/356057418.db2.gz ZPVILIZUWDKHKS-UHFFFAOYSA-N 1 0 321.377 1.744 20 5 DDBDRO C[C@H]1CCCN(C(=O)CCn2cc([N+](=O)[O-])cn2)[C@H]1CC[NH3+] ZINC000593917902 356059596 /nfs/dbraw/zinc/05/95/96/356059596.db2.gz ZSLPMYDDPMETIQ-AAEUAGOBSA-N 1 0 309.370 1.157 20 5 DDBDRO C[C@@H]1CCCN(C(=O)CCn2cc([N+](=O)[O-])cn2)[C@H]1CC[NH3+] ZINC000593917905 356059624 /nfs/dbraw/zinc/05/96/24/356059624.db2.gz ZSLPMYDDPMETIQ-YPMHNXCESA-N 1 0 309.370 1.157 20 5 DDBDRO [NH3+]C[C@H](NC(=O)CSc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000594450797 356221977 /nfs/dbraw/zinc/22/19/77/356221977.db2.gz TYDBMGKURJPHKC-VIFPVBQESA-N 1 0 323.296 1.693 20 5 DDBDRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000594418783 356204112 /nfs/dbraw/zinc/20/41/12/356204112.db2.gz LAWMUTVBSARCJC-NEPJUHHUSA-N 1 0 320.349 1.442 20 5 DDBDRO CC(C)Oc1nc(N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000594575990 356253283 /nfs/dbraw/zinc/25/32/83/356253283.db2.gz NCWHGISEOVUPSR-TXEJJXNPSA-N 1 0 306.366 1.775 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[NH2+]C2(CCCCC2)C1 ZINC000594628728 356269407 /nfs/dbraw/zinc/26/94/07/356269407.db2.gz DVMASBHXBNDLTJ-UHFFFAOYSA-N 1 0 321.381 1.234 20 5 DDBDRO COc1ccc(C[NH2+]C[C@H](OC)[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000594950083 356362739 /nfs/dbraw/zinc/36/27/39/356362739.db2.gz HNVJAZSGZVRAMZ-WFASDCNBSA-N 1 0 310.350 1.745 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@H]1C[N@H+](C)CCN1C ZINC000595017607 356372938 /nfs/dbraw/zinc/37/29/38/356372938.db2.gz KSTURMJKVCDXLH-OCCSQVGLSA-N 1 0 322.409 1.500 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCCn1ccnn1 ZINC000595034344 356375102 /nfs/dbraw/zinc/37/51/02/356375102.db2.gz VQJGAIDVEHZDIQ-LLVKDONJSA-N 1 0 305.338 1.936 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC1(CC(N)=O)CC1 ZINC000595043564 356375975 /nfs/dbraw/zinc/37/59/75/356375975.db2.gz IGDWEXYOXJVREE-JTQLQIEISA-N 1 0 307.350 1.910 20 5 DDBDRO COC[C@@H](C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)OC ZINC000595370250 356468168 /nfs/dbraw/zinc/46/81/68/356468168.db2.gz FYIHJIZBXWPYNJ-WCQYABFASA-N 1 0 310.354 1.137 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000177542473 198742641 /nfs/dbraw/zinc/74/26/41/198742641.db2.gz AXZZVHKUCHKTSU-CHWSQXEVSA-N 1 0 323.397 1.479 20 5 DDBDRO CN1CC(=O)N(CC[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])C1=O ZINC000595508473 356524090 /nfs/dbraw/zinc/52/40/90/356524090.db2.gz AMSKMDMTUBZDMC-UHFFFAOYSA-N 1 0 320.349 1.314 20 5 DDBDRO CCOC[C@@H]1CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000081519134 192279225 /nfs/dbraw/zinc/27/92/25/192279225.db2.gz ZIRMKDXYAXURSF-HIFRSBDPSA-N 1 0 324.377 1.693 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@H+](C1CC1)C1(CO)CCC1 ZINC000595533116 356537175 /nfs/dbraw/zinc/53/71/75/356537175.db2.gz GSYXBFZDNDVCQP-UHFFFAOYSA-N 1 0 307.350 1.136 20 5 DDBDRO CCCC[C@@H](C[NH3+])NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000236877140 202048032 /nfs/dbraw/zinc/04/80/32/202048032.db2.gz SUABWTKFUIIPQK-VIFPVBQESA-N 1 0 305.338 1.718 20 5 DDBDRO Cc1cc(S(=O)(=O)N2CC[NH2+][C@@H](C)[C@@H]2C)c([N+](=O)[O-])s1 ZINC000601342813 358507833 /nfs/dbraw/zinc/50/78/33/358507833.db2.gz GDCMRTJYLAAHLD-IUCAKERBSA-N 1 0 319.408 1.336 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC000595728989 356624870 /nfs/dbraw/zinc/62/48/70/356624870.db2.gz PGGNRDWJKMDCQK-SMDDNHRTSA-N 1 0 319.361 1.704 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H]1C[C@H](O)C12CCC2 ZINC000595783698 356650681 /nfs/dbraw/zinc/65/06/81/356650681.db2.gz TUGAFEPBEBQCTE-STQMWFEESA-N 1 0 319.361 1.735 20 5 DDBDRO CC(C)NC(=O)[C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000595851410 356677228 /nfs/dbraw/zinc/67/72/28/356677228.db2.gz SCYNLXNFNMKQAV-GFCCVEGCSA-N 1 0 309.370 1.028 20 5 DDBDRO C[C@@H]1C[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@]1(C)CO ZINC000595856996 356679482 /nfs/dbraw/zinc/67/94/82/356679482.db2.gz HERBBDFSXKPMRO-XPKDYRNWSA-N 1 0 324.377 1.285 20 5 DDBDRO C[NH2+]C1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000237103341 202153223 /nfs/dbraw/zinc/15/32/23/202153223.db2.gz NJFABPQNCQUVBI-UHFFFAOYSA-N 1 0 313.379 1.276 20 5 DDBDRO [NH3+]CC12CC(C1)CN2C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000595944409 356716356 /nfs/dbraw/zinc/71/63/56/356716356.db2.gz XGMLDKQJRSSWMB-UHFFFAOYSA-N 1 0 304.350 1.347 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@@]2(C)CC[NH2+]C2)c1 ZINC000596048842 356753177 /nfs/dbraw/zinc/75/31/77/356753177.db2.gz DMGFXOKCARKWHE-ZDUSSCGKSA-N 1 0 313.379 1.242 20 5 DDBDRO CCC[C@@H]1CN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000596176188 356802817 /nfs/dbraw/zinc/80/28/17/356802817.db2.gz AJURIZSYQMSJPE-GFCCVEGCSA-N 1 0 324.381 1.633 20 5 DDBDRO CC[N@@H+]1C[C@H](C)N(c2ccc([N+](=O)[O-])c(C(N)=O)c2)C[C@@H]1C ZINC000596176408 356803145 /nfs/dbraw/zinc/80/31/45/356803145.db2.gz FVCYCRMVWFQOGI-QWRGUYRKSA-N 1 0 306.366 1.613 20 5 DDBDRO CC[NH+](CC)CCOCCNc1c(Cl)cncc1[N+](=O)[O-] ZINC000596195634 356809451 /nfs/dbraw/zinc/80/94/51/356809451.db2.gz SEHSOVCSQJMPMO-UHFFFAOYSA-N 1 0 316.789 1.835 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000237190330 202182343 /nfs/dbraw/zinc/18/23/43/202182343.db2.gz UXEXHSYQTDXMGT-ZACCUICWSA-N 1 0 305.334 1.616 20 5 DDBDRO Cc1cc(N2CCC([N@@H+]3CC[C@H](O)C3)CC2)ncc1[N+](=O)[O-] ZINC000596537186 356910594 /nfs/dbraw/zinc/91/05/94/356910594.db2.gz BYXHGLCNEMUJQK-ZDUSSCGKSA-N 1 0 306.366 1.334 20 5 DDBDRO COc1cc(C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)ccc1[N+](=O)[O-] ZINC000237239867 202202151 /nfs/dbraw/zinc/20/21/51/202202151.db2.gz RQYOXQGHXAQJIZ-PWSUYJOCSA-N 1 0 307.350 1.803 20 5 DDBDRO CCN(C(=O)COc1cccc([N+](=O)[O-])c1)[C@H]1CC[N@H+](C)C1 ZINC000597946286 357395413 /nfs/dbraw/zinc/39/54/13/357395413.db2.gz NGJDQWGXGHFURV-ZDUSSCGKSA-N 1 0 307.350 1.526 20 5 DDBDRO CCN(C(=O)c1ccc(OC)c([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C)C1 ZINC000597947445 357395828 /nfs/dbraw/zinc/39/58/28/357395828.db2.gz YKUZYVZJNKPYNH-GFCCVEGCSA-N 1 0 307.350 1.770 20 5 DDBDRO CCC[N@H+](C)CC(C)(C)NC(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000598465675 357593110 /nfs/dbraw/zinc/59/31/10/357593110.db2.gz HTZQVVCRRQHFNU-UHFFFAOYSA-N 1 0 311.386 1.336 20 5 DDBDRO CCCc1n[nH]c(C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)c1[N+](=O)[O-] ZINC000598667429 357677262 /nfs/dbraw/zinc/67/72/62/357677262.db2.gz GPPVAZVBJXFPFM-LKFCYVNXSA-N 1 0 307.354 1.224 20 5 DDBDRO O=C(NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1[nH]ncc1[N+](=O)[O-] ZINC000598560485 357632861 /nfs/dbraw/zinc/63/28/61/357632861.db2.gz MVKYGGNRTHDTFD-NSHDSACASA-N 1 0 307.354 1.170 20 5 DDBDRO O=C(Cn1ccc([N+](=O)[O-])n1)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000598562029 357633608 /nfs/dbraw/zinc/63/36/08/357633608.db2.gz RXHYTUYAFXTHSU-CYBMUJFWSA-N 1 0 321.381 1.030 20 5 DDBDRO CCCc1n[nH]c(C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)c1[N+](=O)[O-] ZINC000598667432 357677553 /nfs/dbraw/zinc/67/75/53/357677553.db2.gz GPPVAZVBJXFPFM-YMTOWFKASA-N 1 0 307.354 1.224 20 5 DDBDRO [NH3+]C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1F)C(F)(F)F ZINC000598914065 357756635 /nfs/dbraw/zinc/75/66/35/357756635.db2.gz WUZJSTKGYYMQCA-MRVPVSSYSA-N 1 0 310.207 1.745 20 5 DDBDRO CN1CCOC[C@@H]1C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000599076034 357808055 /nfs/dbraw/zinc/80/80/55/357808055.db2.gz BOEGFINYKADNFP-HOTGVXAUSA-N 1 0 319.405 1.836 20 5 DDBDRO CC[C@@H]1[NH2+]CC[C@H]1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000599100204 357815603 /nfs/dbraw/zinc/81/56/03/357815603.db2.gz HIVUZJDZLNVALB-NWDGAFQWSA-N 1 0 313.379 1.322 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000599102390 357816069 /nfs/dbraw/zinc/81/60/69/357816069.db2.gz FBQUFBQXGMKNDA-QWRGUYRKSA-N 1 0 313.379 1.322 20 5 DDBDRO COC(=O)[C@@](C)(NCc1cn(C)cn1)c1cccc([N+](=O)[O-])c1 ZINC000599654052 358008370 /nfs/dbraw/zinc/00/83/70/358008370.db2.gz QYGFOHLLSIJKMT-HNNXBMFYSA-N 1 0 318.333 1.506 20 5 DDBDRO C/C=C/C[C@@H]1CCC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000599689902 358027185 /nfs/dbraw/zinc/02/71/85/358027185.db2.gz LLRZMWMUWOUTCZ-DQNOIUNYSA-N 1 0 308.382 1.830 20 5 DDBDRO C[C@H]1CC[C@H](NC(=O)NCCc2ccccc2[N+](=O)[O-])C[NH2+]1 ZINC000599918761 358080083 /nfs/dbraw/zinc/08/00/83/358080083.db2.gz KHNBWZCNGDQFTI-AAEUAGOBSA-N 1 0 306.366 1.577 20 5 DDBDRO CC(C)(NC(=O)NCCOCCC[NH3+])c1ccccc1[N+](=O)[O-] ZINC000599933649 358084807 /nfs/dbraw/zinc/08/48/07/358084807.db2.gz IIKPXUGMHBHXKP-UHFFFAOYSA-N 1 0 324.381 1.495 20 5 DDBDRO CC[C@H]([NH2+]CCNC(=O)c1ccn[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000180224508 199133342 /nfs/dbraw/zinc/13/33/42/199133342.db2.gz IFVWRBGSVLFQFU-ZDUSSCGKSA-N 1 0 317.349 1.789 20 5 DDBDRO C[N@@H+]1CCCC[C@H](CNC(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000600309538 358191784 /nfs/dbraw/zinc/19/17/84/358191784.db2.gz BMYDQAAVCHGWBL-CYBMUJFWSA-N 1 0 321.377 1.822 20 5 DDBDRO CC1(C)C[C@H]([NH2+]C[C@H]2COCCN2)c2cc([N+](=O)[O-])ccc21 ZINC000600710193 358290674 /nfs/dbraw/zinc/29/06/74/358290674.db2.gz MOLYBSQQGQYEOI-NHYWBVRUSA-N 1 0 305.378 1.895 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[NH2+]C[C@H]1C(C)C ZINC000600713960 358291888 /nfs/dbraw/zinc/29/18/88/358291888.db2.gz HHZWSWVYKWEVEK-HNNXBMFYSA-N 1 0 320.393 1.772 20 5 DDBDRO CCN(CC[NH3+])CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000600718266 358294227 /nfs/dbraw/zinc/29/42/27/358294227.db2.gz FXLPWWPWFUISGL-UHFFFAOYSA-N 1 0 300.746 1.467 20 5 DDBDRO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NC[C@H]1CC[N@H+](C)C1 ZINC000601114530 358407082 /nfs/dbraw/zinc/40/70/82/358407082.db2.gz QOZQLONNZWLNTL-SSDOTTSWSA-N 1 0 307.276 1.711 20 5 DDBDRO C[NH+]1CCC(N2CC[C@H](Nc3ncc(F)cc3[N+](=O)[O-])C2)CC1 ZINC000601115796 358408550 /nfs/dbraw/zinc/40/85/50/358408550.db2.gz CGRJFHYSYGVUMG-LBPRGKRZSA-N 1 0 323.372 1.709 20 5 DDBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000618375119 363612781 /nfs/dbraw/zinc/61/27/81/363612781.db2.gz VOCCVWOJWMFQQX-NSHDSACASA-N 1 0 308.338 1.300 20 5 DDBDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000181088099 199251296 /nfs/dbraw/zinc/25/12/96/199251296.db2.gz FZSSOMMVODAKNJ-LLVKDONJSA-N 1 0 306.366 1.591 20 5 DDBDRO C[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CCCOC1 ZINC000348146057 283389752 /nfs/dbraw/zinc/38/97/52/283389752.db2.gz MOKYICQIHYKUCF-GUTXKFCHSA-N 1 0 324.377 1.739 20 5 DDBDRO CC[NH+](CC)CC(=O)N[C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000601773833 358688907 /nfs/dbraw/zinc/68/89/07/358688907.db2.gz BIBNEJHBQXBFPD-OAHLLOKOSA-N 1 0 309.366 1.260 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CC(c3ccccc3)C2)c1 ZINC000601965239 358756010 /nfs/dbraw/zinc/75/60/10/358756010.db2.gz RZQPUJJZOWDFAF-OAHLLOKOSA-N 1 0 302.334 1.252 20 5 DDBDRO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3C[C@@H]4COC[C@@H]4C3)n2)cc1 ZINC000601971447 358759619 /nfs/dbraw/zinc/75/96/19/358759619.db2.gz BNMNUYMFGBAXHP-TXEJJXNPSA-N 1 0 316.317 1.723 20 5 DDBDRO C[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C(C)(C)O ZINC000602524902 359026559 /nfs/dbraw/zinc/02/65/59/359026559.db2.gz AGACTASTPBWYKB-NSHDSACASA-N 1 0 308.382 1.708 20 5 DDBDRO O=C(COc1ccccc1[N+](=O)[O-])N[C@@H]1CC[NH2+]C12CCC2 ZINC000602527537 359027692 /nfs/dbraw/zinc/02/76/92/359027692.db2.gz ROUGMAXDAVWBAJ-CYBMUJFWSA-N 1 0 305.334 1.374 20 5 DDBDRO C[C@H]1CN(CC[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CCO1 ZINC000602545319 359037301 /nfs/dbraw/zinc/03/73/01/359037301.db2.gz PJCAXHXCUUTKDH-NSHDSACASA-N 1 0 320.349 1.546 20 5 DDBDRO C[C@H]([NH3+])[C@H](C)NC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000602496816 359014515 /nfs/dbraw/zinc/01/45/15/359014515.db2.gz VQNITIRGCIRWMU-BQBZGAKWSA-N 1 0 316.155 1.823 20 5 DDBDRO CC[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[C@@H](C)O ZINC000602680454 359122219 /nfs/dbraw/zinc/12/22/19/359122219.db2.gz GBMSGRRKUPVNNL-RISCZKNCSA-N 1 0 308.382 1.708 20 5 DDBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@H]2CCCS(=O)(=O)C2)cc1 ZINC000602666676 359112159 /nfs/dbraw/zinc/11/21/59/359112159.db2.gz NFXVLJXVKLYGRY-CYBMUJFWSA-N 1 0 312.391 1.552 20 5 DDBDRO COc1cc([N+](=O)[O-])c(C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)cc1SC ZINC000602587001 359057700 /nfs/dbraw/zinc/05/77/00/359057700.db2.gz CRVDZPFPJBJZPI-IUCAKERBSA-N 1 0 323.374 1.512 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H](CO)CCF)CC2)cn1 ZINC000602709109 359139834 /nfs/dbraw/zinc/13/98/34/359139834.db2.gz AVCWMWLYKUSNEF-GFCCVEGCSA-N 1 0 312.345 1.269 20 5 DDBDRO CO[C@H](C[NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000602733103 359155431 /nfs/dbraw/zinc/15/54/31/359155431.db2.gz TUGOXEQDIPTDNH-WQVCFCJDSA-N 1 0 324.377 1.443 20 5 DDBDRO CCN(C#N)CCN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000602794250 359196864 /nfs/dbraw/zinc/19/68/64/359196864.db2.gz MXPQUBDBFFMNIN-LBPRGKRZSA-N 1 0 304.354 1.279 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@H](OCC2CC2)C1 ZINC000602813827 359209103 /nfs/dbraw/zinc/20/91/03/359209103.db2.gz ZXYVGOVKTLVXIL-AWEZNQCLSA-N 1 0 308.382 1.991 20 5 DDBDRO CNC(=O)CC[C@H]1CCCC[N@@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602831418 359223517 /nfs/dbraw/zinc/22/35/17/359223517.db2.gz XMCZMSJOYGJBJU-GFCCVEGCSA-N 1 0 309.370 1.209 20 5 DDBDRO C[N@@H+]1CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C[C@H]1C(C)(C)C ZINC000603143291 359432622 /nfs/dbraw/zinc/43/26/22/359432622.db2.gz SFFPBBSFUOOGHG-LBPRGKRZSA-N 1 0 322.365 1.498 20 5 DDBDRO CCOc1ccc(C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000186862729 200023574 /nfs/dbraw/zinc/02/35/74/200023574.db2.gz HCBIZRHSYGVBTD-JQWIXIFHSA-N 1 0 307.350 1.721 20 5 DDBDRO [NH3+][C@H]1CCC[C@@H](C(=O)NCCNc2ccccc2[N+](=O)[O-])C1 ZINC000237906441 202385427 /nfs/dbraw/zinc/38/54/27/202385427.db2.gz FENAPUVBPDBVKL-NEPJUHHUSA-N 1 0 306.366 1.640 20 5 DDBDRO Cn1cc(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)nn1 ZINC000611973670 360877382 /nfs/dbraw/zinc/87/73/82/360877382.db2.gz WUTIZXFBBIRCLS-CQSZACIVSA-N 1 0 301.350 1.834 20 5 DDBDRO CC[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C[C@@H]1CCOC1 ZINC000612059421 360904345 /nfs/dbraw/zinc/90/43/45/360904345.db2.gz RSACOTZNVOHBFT-UONOGXRCSA-N 1 0 324.377 1.693 20 5 DDBDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000272240153 296025456 /nfs/dbraw/zinc/02/54/56/296025456.db2.gz KUFUQUUDNDDNBH-NXEZZACHSA-N 1 0 321.333 1.175 20 5 DDBDRO C[N@@H+](Cc1cn[nH]c1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000612108172 360921915 /nfs/dbraw/zinc/92/19/15/360921915.db2.gz QKZYCFKIEDMEAN-GFCCVEGCSA-N 1 0 306.322 1.190 20 5 DDBDRO Cc1nn(CCC(=O)NCC2=CC[N@H+](C)CC2)c(C)c1[N+](=O)[O-] ZINC000271887855 209297294 /nfs/dbraw/zinc/29/72/94/209297294.db2.gz OCDXBOCHLFZFGB-UHFFFAOYSA-N 1 0 321.381 1.176 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])c(NCCC[NH+]2CCC(O)CC2)n1 ZINC000359086587 299323953 /nfs/dbraw/zinc/32/39/53/299323953.db2.gz VUSIZRJPSNKSIG-UHFFFAOYSA-N 1 0 308.382 1.865 20 5 DDBDRO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000193538405 201071463 /nfs/dbraw/zinc/07/14/63/201071463.db2.gz SQHKHLTWKSAQRO-NWDGAFQWSA-N 1 0 306.366 1.654 20 5 DDBDRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000193588084 201080265 /nfs/dbraw/zinc/08/02/65/201080265.db2.gz MQRXRHWRUMGXCD-GWCFXTLKSA-N 1 0 309.391 1.944 20 5 DDBDRO C[NH+](C)C1CCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CC1 ZINC000619570341 364064974 /nfs/dbraw/zinc/06/49/74/364064974.db2.gz OHOCUUIDVWMAEZ-UHFFFAOYSA-N 1 0 317.349 1.774 20 5 DDBDRO CN(CC1([NH+](C)C)CCC1)c1ncc([N+](=O)[O-])cc1C(N)=O ZINC000275535259 212399406 /nfs/dbraw/zinc/39/94/06/212399406.db2.gz ZAXOZCQXJOJUEE-UHFFFAOYSA-N 1 0 307.354 1.009 20 5 DDBDRO CCC[C@H]1C[NH2+]CCN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000359229386 299366484 /nfs/dbraw/zinc/36/64/84/299366484.db2.gz OSHJDXSCTQNCLK-ZDUSSCGKSA-N 1 0 320.393 1.997 20 5 DDBDRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000275177016 212174708 /nfs/dbraw/zinc/17/47/08/212174708.db2.gz VNZRDGDIWGEZQL-FZMZJTMJSA-N 1 0 305.378 1.987 20 5 DDBDRO C[C@@H](CC[NH3+])NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000349934495 284110157 /nfs/dbraw/zinc/11/01/57/284110157.db2.gz HIRFYLAYZAJCOU-ZETCQYMHSA-N 1 0 316.155 1.824 20 5 DDBDRO O=C(c1ccc(F)cc1[N+](=O)[O-])N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261750149 203109156 /nfs/dbraw/zinc/10/91/56/203109156.db2.gz IZGPKLONTKKFKJ-PHIMTYICSA-N 1 0 307.325 1.806 20 5 DDBDRO COc1cc(C(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000261804109 203120561 /nfs/dbraw/zinc/12/05/61/203120561.db2.gz FYIMOLUPRZZPLT-ZJUUUORDSA-N 1 0 323.349 1.421 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000261878313 203142572 /nfs/dbraw/zinc/14/25/72/203142572.db2.gz TVLZBJIDJSOEOP-ZYHUDNBSSA-N 1 0 309.370 1.076 20 5 DDBDRO O=C(NC1CC[NH2+]CC1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000262104234 203200507 /nfs/dbraw/zinc/20/05/07/203200507.db2.gz CVVNSICXXJAIRG-UHFFFAOYSA-N 1 0 304.350 1.651 20 5 DDBDRO COc1ccc(C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)cc1[N+](=O)[O-] ZINC000262580473 203337569 /nfs/dbraw/zinc/33/75/69/203337569.db2.gz YVWBGJHULNHREQ-NWDGAFQWSA-N 1 0 305.334 1.427 20 5 DDBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)NCC[C@H]1CC[NH2+]C1 ZINC000262596160 203343754 /nfs/dbraw/zinc/34/37/54/203343754.db2.gz VCBGYJDVERHIMN-LLVKDONJSA-N 1 0 309.391 1.803 20 5 DDBDRO COCC[N@@H+]1CC[C@@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000264593102 204015938 /nfs/dbraw/zinc/01/59/38/204015938.db2.gz LUHWOTJXLCGPDA-GFCCVEGCSA-N 1 0 308.338 1.437 20 5 DDBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000264662368 204062481 /nfs/dbraw/zinc/06/24/81/204062481.db2.gz DSOKWQDOWXFTCN-LBPRGKRZSA-N 1 0 309.370 1.172 20 5 DDBDRO C[N@H+](CCNC(=O)NCCNc1ccccc1[N+](=O)[O-])C1CC1 ZINC000264779211 204149204 /nfs/dbraw/zinc/14/92/04/204149204.db2.gz BFKKARQSYNFQIR-UHFFFAOYSA-N 1 0 321.381 1.400 20 5 DDBDRO Cc1c(C(=O)N[C@H](C)CC[NH+](C)C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000264917052 204267669 /nfs/dbraw/zinc/26/76/69/204267669.db2.gz OWCMFDUWAYKRBD-SECBINFHSA-N 1 0 324.337 1.881 20 5 DDBDRO C[N@H+](CCNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])C1CC1 ZINC000264921006 204271058 /nfs/dbraw/zinc/27/10/58/204271058.db2.gz MEKDZVLJXPTXPP-UHFFFAOYSA-N 1 0 318.377 1.993 20 5 DDBDRO Cc1cc(C(=O)N(C)CC[C@H]([NH3+])C(C)C)c(N)c([N+](=O)[O-])c1 ZINC000162028940 197537403 /nfs/dbraw/zinc/53/74/03/197537403.db2.gz CVUHXUXPQSVWDR-LBPRGKRZSA-N 1 0 308.382 1.931 20 5 DDBDRO C[NH2+]C[C@@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000040597123 183107421 /nfs/dbraw/zinc/10/74/21/183107421.db2.gz CYFFKUHDVJUPCY-NSHDSACASA-N 1 0 313.379 1.215 20 5 DDBDRO CC(C)[C@@H](CCO)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000274031122 211289647 /nfs/dbraw/zinc/28/96/47/211289647.db2.gz NSTHVYZPVRFQEM-GFCCVEGCSA-N 1 0 309.366 1.920 20 5 DDBDRO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cc([N+](=O)[O-])n[nH]1 ZINC000284931010 218240698 /nfs/dbraw/zinc/24/06/98/218240698.db2.gz JBRVTSIGGDWBEG-GFCCVEGCSA-N 1 0 315.333 1.322 20 5 DDBDRO CC(C)N1CC[C@@H]([NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1=O ZINC000285366198 218399010 /nfs/dbraw/zinc/39/90/10/218399010.db2.gz VTTOLTXSUIMPFT-GXFFZTMASA-N 1 0 306.366 1.837 20 5 DDBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000288594434 220272199 /nfs/dbraw/zinc/27/21/99/220272199.db2.gz YEZCUAIJQYNCKY-PWSUYJOCSA-N 1 0 320.349 1.394 20 5 DDBDRO Cc1n[nH]c(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1[N+](=O)[O-] ZINC000269023396 207173285 /nfs/dbraw/zinc/17/32/85/207173285.db2.gz QIGAAVSCRRJLHH-GHMZBOCLSA-N 1 0 307.354 1.183 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H](O)C[C@@H]1C ZINC000340904200 251267445 /nfs/dbraw/zinc/26/74/45/251267445.db2.gz JAGOJEHLMOKFGU-JQWIXIFHSA-N 1 0 323.349 1.387 20 5 DDBDRO CSCC[C@@H]([NH3+])C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000269138229 207268157 /nfs/dbraw/zinc/26/81/57/207268157.db2.gz XLLCHJIQJDNJLE-LLVKDONJSA-N 1 0 317.798 1.945 20 5 DDBDRO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CC[C@H]1[NH3+] ZINC000269189890 207311321 /nfs/dbraw/zinc/31/13/21/207311321.db2.gz GWLGQBVHGRQXSL-ZWNOBZJWSA-N 1 0 306.366 1.470 20 5 DDBDRO COc1cc(C(=O)N2CCC[C@H]2C[NH3+])cc([N+](=O)[O-])c1OC ZINC000269197874 207317553 /nfs/dbraw/zinc/31/75/53/207317553.db2.gz TWBOWRUCEWEXIY-JTQLQIEISA-N 1 0 309.322 1.175 20 5 DDBDRO C[C@@H]1CN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC[C@@H]1[NH3+] ZINC000269252528 207393479 /nfs/dbraw/zinc/39/34/79/207393479.db2.gz GSAMDSGFPBBEPA-DOMZBBRYSA-N 1 0 320.393 1.983 20 5 DDBDRO COCC[C@@]1(C(=O)NCc2ccccc2[N+](=O)[O-])CC[NH2+]C1 ZINC000429678395 285155049 /nfs/dbraw/zinc/15/50/49/285155049.db2.gz BRCFHEZMWASJDP-HNNXBMFYSA-N 1 0 307.350 1.227 20 5 DDBDRO O=[N+]([O-])c1cnc2ccc(N3CC[C@H]([NH+]4CCCCC4)C3)nn21 ZINC000408058470 285185857 /nfs/dbraw/zinc/18/58/57/285185857.db2.gz JYEBSXFAAUWTBV-LBPRGKRZSA-N 1 0 316.365 1.702 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)[C@@H]1CCC[C@@H]1O ZINC000352660394 285204998 /nfs/dbraw/zinc/20/49/98/285204998.db2.gz NUEHBPXFQUBLAS-YPMHNXCESA-N 1 0 307.350 1.687 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)c1 ZINC000424025034 533213511 /nfs/dbraw/zinc/21/35/11/533213511.db2.gz WIWZLMAGTQSXRU-WDEREUQCSA-N 1 0 307.350 1.660 20 5 DDBDRO CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000289479417 221005461 /nfs/dbraw/zinc/00/54/61/221005461.db2.gz BRTYTJQVNWPLHX-ZFWWWQNUSA-N 1 0 305.378 1.888 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[NH2+][C@H](C)C1 ZINC000417190237 533221139 /nfs/dbraw/zinc/22/11/39/533221139.db2.gz XWASBIJPCKXNMR-SNVBAGLBSA-N 1 0 308.338 1.107 20 5 DDBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)Cn2ccnn2)cc1[N+](=O)[O-] ZINC000414178499 224309064 /nfs/dbraw/zinc/30/90/64/224309064.db2.gz KAWAWZJVGRTTIW-YPMHNXCESA-N 1 0 305.338 1.206 20 5 DDBDRO CC[C@H]([NH2+]CCCn1cc(CO)nn1)c1cccc([N+](=O)[O-])c1 ZINC000289969109 221349508 /nfs/dbraw/zinc/34/95/08/221349508.db2.gz XIRCKSDKIKSCOB-HNNXBMFYSA-N 1 0 319.365 1.810 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000414656540 533226377 /nfs/dbraw/zinc/22/63/77/533226377.db2.gz NFEMXLIUPNJDPC-AWEZNQCLSA-N 1 0 308.338 1.806 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000414662803 533226031 /nfs/dbraw/zinc/22/60/31/533226031.db2.gz ZSEZLYUJEHBNKU-PHIMTYICSA-N 1 0 320.349 1.962 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)NCCC[C@@H]1CCC[NH2+]1 ZINC000294986117 224359908 /nfs/dbraw/zinc/35/99/08/224359908.db2.gz YQQYBMWACBSNIJ-LBPRGKRZSA-N 1 0 307.350 1.622 20 5 DDBDRO COC[C@]1(CNC(=O)Nc2cc([N+](=O)[O-])ccc2C)CCC[NH2+]1 ZINC000414654770 224368212 /nfs/dbraw/zinc/36/82/12/224368212.db2.gz GNYXZPSBHORFPW-OAHLLOKOSA-N 1 0 322.365 1.793 20 5 DDBDRO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451543172 533237804 /nfs/dbraw/zinc/23/78/04/533237804.db2.gz BDKDARNXQCSYSH-JQWIXIFHSA-N 1 0 320.349 1.358 20 5 DDBDRO COc1cc(C(=O)N[C@](C)(C[NH3+])C2CC2)cc([N+](=O)[O-])c1C ZINC000422824261 533555201 /nfs/dbraw/zinc/55/52/01/533555201.db2.gz GTLCCVMAGUYTHU-OAHLLOKOSA-N 1 0 307.350 1.769 20 5 DDBDRO CCCN(CCC[NH+](C)C)C(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000579731299 422824170 /nfs/dbraw/zinc/82/41/70/422824170.db2.gz IQAURMWPJAHVIR-UHFFFAOYSA-N 1 0 309.370 1.376 20 5 DDBDRO O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCC2(C1)CC[NH2+]CC2 ZINC000361048459 299795513 /nfs/dbraw/zinc/79/55/13/299795513.db2.gz MZMLUVJRVUFOCT-UHFFFAOYSA-N 1 0 307.325 1.950 20 5 DDBDRO CC(=O)c1ccc(N[C@H](C)CN2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000078543672 407033286 /nfs/dbraw/zinc/03/32/86/407033286.db2.gz IZNSFHHVHZAYAN-GFCCVEGCSA-N 1 0 320.393 1.845 20 5 DDBDRO [NH3+]C[C@H]1CCCC[C@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000089108268 407124162 /nfs/dbraw/zinc/12/41/62/407124162.db2.gz ZYXIXOUPWWWXLZ-ZWNOBZJWSA-N 1 0 313.379 1.391 20 5 DDBDRO C[NH2+][C@H]1CCCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000053202808 407165700 /nfs/dbraw/zinc/16/57/00/407165700.db2.gz KUUNPXYNXFRSII-NSHDSACASA-N 1 0 313.379 1.276 20 5 DDBDRO Nc1cc(N)[nH+]c(SCCOc2ccccc2[N+](=O)[O-])n1 ZINC000053451245 407169274 /nfs/dbraw/zinc/16/92/74/407169274.db2.gz RUVXDXATCQHXND-UHFFFAOYSA-N 1 0 307.335 1.720 20 5 DDBDRO CN(CC[NH+]1CCCC1)C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000103120200 407331528 /nfs/dbraw/zinc/33/15/28/407331528.db2.gz VBQCATBHOKOMHB-UHFFFAOYSA-N 1 0 307.350 1.528 20 5 DDBDRO C[C@]1(O)CCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000124923037 407373906 /nfs/dbraw/zinc/37/39/06/407373906.db2.gz DUJKMJLQPYTLEM-HNNXBMFYSA-N 1 0 307.350 1.770 20 5 DDBDRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000108784684 407390479 /nfs/dbraw/zinc/39/04/79/407390479.db2.gz GIXPJSDPFCSXGQ-SNVBAGLBSA-N 1 0 307.325 1.948 20 5 DDBDRO O=C(CNc1ccccc1[N+](=O)[O-])NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000108783240 407390483 /nfs/dbraw/zinc/39/04/83/407390483.db2.gz VIIXPIBSCVRFOU-LBPRGKRZSA-N 1 0 318.377 1.607 20 5 DDBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1c([N+](=O)[O-])cnn1C ZINC000125229424 407382597 /nfs/dbraw/zinc/38/25/97/407382597.db2.gz WCEWVXPVYWNCPV-NSHDSACASA-N 1 0 309.370 1.275 20 5 DDBDRO CCCC[NH+]1CCC(NC(=O)c2c([N+](=O)[O-])c(C)nn2C)CC1 ZINC000109286953 407396770 /nfs/dbraw/zinc/39/67/70/407396770.db2.gz XWAZIVAYTITKJC-UHFFFAOYSA-N 1 0 323.397 1.631 20 5 DDBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[NH2+]C2)cc1SC ZINC000126328562 407410721 /nfs/dbraw/zinc/41/07/21/407410721.db2.gz BLXLPDKSUSRBDZ-QMMMGPOBSA-N 1 0 311.363 1.417 20 5 DDBDRO C[C@@H]1c2ccccc2CC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266540021 407551241 /nfs/dbraw/zinc/55/12/41/407551241.db2.gz PRXSKKMKVQBXKL-DOMZBBRYSA-N 1 0 316.361 1.772 20 5 DDBDRO COc1cc(CCNC2=[NH+]CCCN2)c([N+](=O)[O-])cc1OC ZINC000261693455 407580069 /nfs/dbraw/zinc/58/00/69/407580069.db2.gz BLFWUECAFRQEEI-UHFFFAOYSA-N 1 0 308.338 1.093 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000171067822 407585171 /nfs/dbraw/zinc/58/51/71/407585171.db2.gz SCCBIVDBQNRPFS-LLVKDONJSA-N 1 0 308.338 1.771 20 5 DDBDRO C[C@@H](O)C[C@@H]1CCC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000152995891 407730180 /nfs/dbraw/zinc/73/01/80/407730180.db2.gz DWWHCTPMIMPWSH-DOMZBBRYSA-N 1 0 321.377 1.793 20 5 DDBDRO C[NH+](C)[C@]1(CNC(=O)c2csc([N+](=O)[O-])c2)CCSC1 ZINC000267054929 407730488 /nfs/dbraw/zinc/73/04/88/407730488.db2.gz ANXAOBMESCJWPM-LBPRGKRZSA-N 1 0 315.420 1.823 20 5 DDBDRO CCOC(=O)CC1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000267045099 407727314 /nfs/dbraw/zinc/72/73/14/407727314.db2.gz DYHSLDMEMVIVLK-UHFFFAOYSA-N 1 0 310.354 1.457 20 5 DDBDRO C[NH+](C)[C@@]1(CNC(=O)c2ccc([N+](=O)[O-])s2)CCSC1 ZINC000267085552 407740235 /nfs/dbraw/zinc/74/02/35/407740235.db2.gz HJWFBYNBZHXAHA-GFCCVEGCSA-N 1 0 315.420 1.823 20 5 DDBDRO O=[N+]([O-])c1ccccc1C[N@@H+](C[C@H](O)Cn1cccn1)C1CC1 ZINC000179241496 407762623 /nfs/dbraw/zinc/76/26/23/407762623.db2.gz SXTLWBTXCUOJAA-HNNXBMFYSA-N 1 0 316.361 1.817 20 5 DDBDRO C[N@@H+]1CCC[C@@H](CNC(=O)NCc2ccccc2[N+](=O)[O-])C1 ZINC000171750440 407758298 /nfs/dbraw/zinc/75/82/98/407758298.db2.gz SRJIUVTUWHZDJJ-LBPRGKRZSA-N 1 0 306.366 1.736 20 5 DDBDRO CC[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1c(C)noc1C ZINC000182394425 306704497 /nfs/dbraw/zinc/70/44/97/306704497.db2.gz UAPLUPYQMXEJBV-CHWSQXEVSA-N 1 0 323.353 1.498 20 5 DDBDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000272223242 407823821 /nfs/dbraw/zinc/82/38/21/407823821.db2.gz IVWWLECLCFLTDL-GHMZBOCLSA-N 1 0 309.391 1.883 20 5 DDBDRO Cc1ccc(NCCCNC(=O)CC(C)(C)[NH3+])c([N+](=O)[O-])c1 ZINC000237608002 407831752 /nfs/dbraw/zinc/83/17/52/407831752.db2.gz SKINFSNZMQIXCI-UHFFFAOYSA-N 1 0 308.382 1.949 20 5 DDBDRO C[C@@H]([NH2+]Cc1cc(=O)n2nccc2[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000180399473 407882786 /nfs/dbraw/zinc/88/27/86/407882786.db2.gz GNSZXQDBOSXMFO-SNVBAGLBSA-N 1 0 313.317 1.782 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000262621862 407883932 /nfs/dbraw/zinc/88/39/32/407883932.db2.gz JCONZAKIDZEJMT-MNOVXSKESA-N 1 0 305.334 1.570 20 5 DDBDRO O=C(N[C@@H]1CCC[NH2+]C1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000238120680 407893655 /nfs/dbraw/zinc/89/36/55/407893655.db2.gz CKBBQSXYOMEEAJ-GFCCVEGCSA-N 1 0 318.377 1.677 20 5 DDBDRO CCOC(=O)c1ccnc(NC[C@@H]2CCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000133474364 407847219 /nfs/dbraw/zinc/84/72/19/407847219.db2.gz MLHTZLQPTWIMHC-JTQLQIEISA-N 1 0 308.338 1.673 20 5 DDBDRO CC[NH2+][C@H](C)CNS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000262493000 407848682 /nfs/dbraw/zinc/84/86/82/407848682.db2.gz VMJIGEPJPMAWIZ-SNVBAGLBSA-N 1 0 315.395 1.488 20 5 DDBDRO CN(CC(=O)NC1CC[NH+](C)CC1)c1ccccc1[N+](=O)[O-] ZINC000175066853 408042116 /nfs/dbraw/zinc/04/21/16/408042116.db2.gz YLRZZUBIMJVDQR-UHFFFAOYSA-N 1 0 306.366 1.241 20 5 DDBDRO Cc1nc(N2CC[NH+](CC3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000268439297 408044162 /nfs/dbraw/zinc/04/41/62/408044162.db2.gz CRGHWVTXTVQDMY-UHFFFAOYSA-N 1 0 320.393 1.847 20 5 DDBDRO CNC(=O)NC(=O)CC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135221260 407992492 /nfs/dbraw/zinc/99/24/92/407992492.db2.gz PPRNRZJWJTVZIY-UHFFFAOYSA-N 1 0 320.349 1.405 20 5 DDBDRO COc1cc(C(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)cc([N+](=O)[O-])c1OC ZINC000272589899 407996969 /nfs/dbraw/zinc/99/69/69/407996969.db2.gz PJBRRXIBHNBZRP-NXEZZACHSA-N 1 0 323.349 1.434 20 5 DDBDRO COC(=O)c1cc(C(=O)N(C)CCC[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000181983154 408058576 /nfs/dbraw/zinc/05/85/76/408058576.db2.gz AUTYELHNAKAAJA-UHFFFAOYSA-N 1 0 323.349 1.405 20 5 DDBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3c(N)cccc3[N+](=O)[O-])CC[C@H]21 ZINC000245750658 408061758 /nfs/dbraw/zinc/06/17/58/408061758.db2.gz TYMIEASKASKGFI-WCQYABFASA-N 1 0 318.377 1.733 20 5 DDBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]([NH+](C)C)C1 ZINC000245819692 408076865 /nfs/dbraw/zinc/07/68/65/408076865.db2.gz UGANIMXVOKTLCZ-SWLSCSKDSA-N 1 0 320.393 1.948 20 5 DDBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)c2[nH]ncc2[N+](=O)[O-])C1 ZINC000136205146 408088865 /nfs/dbraw/zinc/08/88/65/408088865.db2.gz FSWAIRMBJUMVTD-TXEJJXNPSA-N 1 0 323.397 1.806 20 5 DDBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@](C)(O)C1 ZINC000245916118 408097890 /nfs/dbraw/zinc/09/78/90/408097890.db2.gz NBZYONFCINZDKK-NHYWBVRUSA-N 1 0 307.350 1.769 20 5 DDBDRO Cn1cccc1[C@@H]1CCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000175492937 408146593 /nfs/dbraw/zinc/14/65/93/408146593.db2.gz AKJYTKNBPAHZKU-ZFWWWQNUSA-N 1 0 319.365 1.328 20 5 DDBDRO Cc1nn(CCC(=O)N[C@@H](C)CC[NH+](C)C)c(C)c1[N+](=O)[O-] ZINC000263751564 408239985 /nfs/dbraw/zinc/23/99/85/408239985.db2.gz GAASCKFOQFWHGZ-JTQLQIEISA-N 1 0 311.386 1.255 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[N@@H+](CCO)[C@@H]2CCc3ccccc32)n1 ZINC000176242630 408322411 /nfs/dbraw/zinc/32/24/11/408322411.db2.gz FRUCHYSLPTTYSD-OAHLLOKOSA-N 1 0 316.361 1.773 20 5 DDBDRO C[N@@H+]1CC[C@@H](CNc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C1 ZINC000137964310 162129057 /nfs/dbraw/zinc/12/90/57/162129057.db2.gz LAZAYMYRCBHKNE-JTQLQIEISA-N 1 0 313.379 1.362 20 5 DDBDRO Cc1c(NC(=O)CC[N@H+]2CC[C@@H]([C@@H](C)O)C2)cccc1[N+](=O)[O-] ZINC000183208523 408355809 /nfs/dbraw/zinc/35/58/09/408355809.db2.gz DSAWPCPXUKTZTM-CHWSQXEVSA-N 1 0 321.377 1.935 20 5 DDBDRO C[N@@H+]1CC[C@H](CNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1 ZINC000264180453 408392727 /nfs/dbraw/zinc/39/27/27/408392727.db2.gz BARGSEBCKMNCNW-SNVBAGLBSA-N 1 0 304.350 1.843 20 5 DDBDRO C[N@@H+]1CC[C@@H](CNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1 ZINC000264180449 408393343 /nfs/dbraw/zinc/39/33/43/408393343.db2.gz BARGSEBCKMNCNW-JTQLQIEISA-N 1 0 304.350 1.843 20 5 DDBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cc([N+](=O)[O-])c[nH]c3=O)CC[C@H]21 ZINC000247045837 408395898 /nfs/dbraw/zinc/39/58/98/408395898.db2.gz TVIXZFJGYRUCQB-GXFFZTMASA-N 1 0 320.349 1.252 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000247229793 408432914 /nfs/dbraw/zinc/43/29/14/408432914.db2.gz CYWCVXRBMAGIBZ-YPMHNXCESA-N 1 0 323.397 1.288 20 5 DDBDRO Cc1ccc(NCCCNC(=O)C[C@@H]2CCC[NH2+]2)c([N+](=O)[O-])c1 ZINC000160484982 408486581 /nfs/dbraw/zinc/48/65/81/408486581.db2.gz BZODOYAICJCVPR-ZDUSSCGKSA-N 1 0 320.393 1.964 20 5 DDBDRO C[N@H+](CCNC(=O)NCCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000270369445 408506882 /nfs/dbraw/zinc/50/68/82/408506882.db2.gz UTUWPYQBOZXGBQ-UHFFFAOYSA-N 1 0 306.366 1.531 20 5 DDBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3ccc(N)c([N+](=O)[O-])c3)CC[C@H]21 ZINC000248067803 408531971 /nfs/dbraw/zinc/53/19/71/408531971.db2.gz ZXCFQFNQFWDPJU-GXTWGEPZSA-N 1 0 318.377 1.733 20 5 DDBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000176869678 408463127 /nfs/dbraw/zinc/46/31/27/408463127.db2.gz VRJHWWLDFLDMAC-CQSZACIVSA-N 1 0 323.393 1.990 20 5 DDBDRO C[C@@]1(O)CCC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000248470451 408575001 /nfs/dbraw/zinc/57/50/01/408575001.db2.gz VCZWPRXSMCASAO-IUODEOHRSA-N 1 0 310.350 1.181 20 5 DDBDRO C[NH+](C)C1(CNC(=O)c2cc([N+](=O)[O-])ccc2N)CCOCC1 ZINC000184408139 408611499 /nfs/dbraw/zinc/61/14/99/408611499.db2.gz VPISNSZIBATGFN-UHFFFAOYSA-N 1 0 322.365 1.018 20 5 DDBDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000177457914 408624913 /nfs/dbraw/zinc/62/49/13/408624913.db2.gz KPFZTRZEKRSGDB-WDEREUQCSA-N 1 0 306.366 1.780 20 5 DDBDRO C[NH+](C)C/C=C/C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000265616937 408715489 /nfs/dbraw/zinc/71/54/89/408715489.db2.gz JASYRTSSYGXEAN-ONEGZZNKSA-N 1 0 318.377 1.361 20 5 DDBDRO C[C@@H]1CN=C(N2CCN(c3cc(N)ccc3[N+](=O)[O-])CC2)S1 ZINC000193456108 408722513 /nfs/dbraw/zinc/72/25/13/408722513.db2.gz NEOHGGTVLATKON-SNVBAGLBSA-N 1 0 321.406 1.790 20 5 DDBDRO COc1cc(C(=O)NCC2CC[NH2+]CC2)c([N+](=O)[O-])cc1OC ZINC000194986952 408806706 /nfs/dbraw/zinc/80/67/06/408806706.db2.gz FERNMEADLVQSOP-UHFFFAOYSA-N 1 0 323.349 1.341 20 5 DDBDRO CNC(=O)c1ccc(N(CC[NH+](C)C)C(C)C)c([N+](=O)[O-])c1 ZINC000185441074 408807877 /nfs/dbraw/zinc/80/78/77/408807877.db2.gz QHVOCQVZPLOQJI-UHFFFAOYSA-N 1 0 308.382 1.731 20 5 DDBDRO C[C@@H]1C[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC[C@H]1O ZINC000249599049 408748955 /nfs/dbraw/zinc/74/89/55/408748955.db2.gz XQKFUJGWWZLFAB-UXIGCNINSA-N 1 0 310.350 1.037 20 5 DDBDRO C[C@@H]1C[C@H](N2CCOCC2)C[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000285857036 408877652 /nfs/dbraw/zinc/87/76/52/408877652.db2.gz IJSILTPKOHRNOT-CJNGLKHVSA-N 1 0 305.378 1.890 20 5 DDBDRO CO[C@@H]1CC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000281674573 408907853 /nfs/dbraw/zinc/90/78/53/408907853.db2.gz LWIYKCOUAJRHLT-MGPQQGTHSA-N 1 0 324.377 1.834 20 5 DDBDRO CSc1cccc(C(=O)NC[C@@H]2CC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000188075900 163040377 /nfs/dbraw/zinc/04/03/77/163040377.db2.gz CYRHYJRXBRIIIZ-JTQLQIEISA-N 1 0 309.391 1.998 20 5 DDBDRO C[C@@H]1C[C@H](N2CCOCC2)C[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000286071918 408918518 /nfs/dbraw/zinc/91/85/18/408918518.db2.gz RWIARSIEYIOKTP-HIFRSBDPSA-N 1 0 305.378 1.890 20 5 DDBDRO C[N@@H+]1CCC[C@H]1CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000194707743 163294596 /nfs/dbraw/zinc/29/45/96/163294596.db2.gz SWJZDQUOEWHQFA-JTQLQIEISA-N 1 0 303.322 1.295 20 5 DDBDRO C[C@H](CNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)C[NH+](C)C ZINC000291891224 408940589 /nfs/dbraw/zinc/94/05/89/408940589.db2.gz PDHOMLAXZHXUIV-SNVBAGLBSA-N 1 0 315.395 1.608 20 5 DDBDRO C[N@@H+]1CC[C@@]2(CCN(C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)C1 ZINC000292078773 408975682 /nfs/dbraw/zinc/97/56/82/408975682.db2.gz FLJCKMZLTQYALI-JKSUJKDBSA-N 1 0 305.378 1.656 20 5 DDBDRO C[NH+](C)C1(CNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CCCCC1 ZINC000277749472 409004583 /nfs/dbraw/zinc/00/45/83/409004583.db2.gz IVPDXWVZZKCQGP-UHFFFAOYSA-N 1 0 322.365 1.690 20 5 DDBDRO C[C@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC[N@@H+](C2CCC2)C1 ZINC000292510043 409033902 /nfs/dbraw/zinc/03/39/02/409033902.db2.gz YAZAOFINFHRENX-GFCCVEGCSA-N 1 0 321.381 1.124 20 5 DDBDRO C[C@H]([NH2+][C@@H]1CCOC[C@@H]1C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000278017599 409052286 /nfs/dbraw/zinc/05/22/86/409052286.db2.gz WFLGHYFZXJEHGE-COPLHBTASA-N 1 0 307.350 1.936 20 5 DDBDRO CN(CCCN1CC[NH+](C)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000287583671 409059595 /nfs/dbraw/zinc/05/95/95/409059595.db2.gz XPIZZJGOMZSJCN-UHFFFAOYSA-N 1 0 310.373 1.808 20 5 DDBDRO Cc1nn(CCC(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)c(C)c1[N+](=O)[O-] ZINC000293262977 409078766 /nfs/dbraw/zinc/07/87/66/409078766.db2.gz GFVFLYWDUJWQAQ-OLZOCXBDSA-N 1 0 321.381 1.009 20 5 DDBDRO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000293348107 409095169 /nfs/dbraw/zinc/09/51/69/409095169.db2.gz JVKUNBLDPVIUAQ-CABZTGNLSA-N 1 0 315.333 1.295 20 5 DDBDRO CS(=O)(=O)CCC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000278868934 409103858 /nfs/dbraw/zinc/10/38/58/409103858.db2.gz WUUGPUWHKWABKI-CQSZACIVSA-N 1 0 312.391 1.997 20 5 DDBDRO C[C@H](NC(=O)c1cc([N+](=O)[O-])c(F)cc1N)C1=CC[N@H+](C)CC1 ZINC000283246640 409120927 /nfs/dbraw/zinc/12/09/27/409120927.db2.gz UJYXDYAEQRZHCZ-VIFPVBQESA-N 1 0 322.340 1.696 20 5 DDBDRO C[C@@H](C[NH+](C)C)NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000288871126 409190626 /nfs/dbraw/zinc/19/06/26/409190626.db2.gz QYVCRDAMOXDIAS-VIFPVBQESA-N 1 0 314.773 1.998 20 5 DDBDRO C[C@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC[N@@H+]1C ZINC000284195880 409293922 /nfs/dbraw/zinc/29/39/22/409293922.db2.gz ZFXGDLQTEGTKKE-UWVGGRQHSA-N 1 0 324.356 1.871 20 5 DDBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H](CO)[C@H]2CCOC2)c(Cl)c1 ZINC000280427139 409311223 /nfs/dbraw/zinc/31/12/23/409311223.db2.gz ZUXHPEDLBNTHKG-RYUDHWBXSA-N 1 0 314.769 1.983 20 5 DDBDRO CC(C)(C)[C@H](O)C[C@@H](CO)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000284084918 409272424 /nfs/dbraw/zinc/27/24/24/409272424.db2.gz RGNUAZYRRXVXCJ-WDEREUQCSA-N 1 0 302.396 1.904 20 5 DDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H](C)[NH+](C)C ZINC000290265082 409342349 /nfs/dbraw/zinc/34/23/49/409342349.db2.gz OQHVKTFJIHKSKA-SNVBAGLBSA-N 1 0 322.365 1.162 20 5 DDBDRO CCCN(CC[NH+](CC)CC)c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290511753 409426986 /nfs/dbraw/zinc/42/69/86/409426986.db2.gz ATHDHBYJFSHVFJ-UHFFFAOYSA-N 1 0 323.397 1.647 20 5 DDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)CC(C)(C)CO ZINC000295321183 409432476 /nfs/dbraw/zinc/43/24/76/409432476.db2.gz WKIJBHZGPVDVNL-LLVKDONJSA-N 1 0 309.366 1.872 20 5 DDBDRO NC(=O)c1cc([N+](=O)[O-])cnc1NC1CC[NH+](C2CCC2)CC1 ZINC000296116581 409433406 /nfs/dbraw/zinc/43/34/06/409433406.db2.gz VRABUKPINFLBBH-UHFFFAOYSA-N 1 0 319.365 1.518 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H](C)CCCC[NH3+] ZINC000313917742 164012470 /nfs/dbraw/zinc/01/24/70/164012470.db2.gz AHUVCSPQYHLSNE-LLVKDONJSA-N 1 0 315.395 1.699 20 5 DDBDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCC(=O)N(C)C2=O)cc1[N+](=O)[O-] ZINC000316413803 164021875 /nfs/dbraw/zinc/02/18/75/164021875.db2.gz YRIXETXHYNUMCN-PWSUYJOCSA-N 1 0 305.334 1.701 20 5 DDBDRO CC1CC[NH+](C[C@H](O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000303993184 409562203 /nfs/dbraw/zinc/56/22/03/409562203.db2.gz NRJIMNMEDVDLAV-OAHLLOKOSA-N 1 0 321.377 1.417 20 5 DDBDRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc([N+](=O)[O-])nn1C ZINC000357038013 409810298 /nfs/dbraw/zinc/81/02/98/409810298.db2.gz MXMJGVPQAQTVDH-QWRGUYRKSA-N 1 0 307.354 1.027 20 5 DDBDRO CNc1ccc(C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000317348116 409866262 /nfs/dbraw/zinc/86/62/62/409866262.db2.gz DUGCRXKJKYENGM-LBPRGKRZSA-N 1 0 306.366 1.803 20 5 DDBDRO C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCCC[C@H]1O ZINC000318063390 409872844 /nfs/dbraw/zinc/87/28/44/409872844.db2.gz ZTCVIGJRRDXHCO-ZIAGYGMSSA-N 1 0 307.350 1.769 20 5 DDBDRO COc1cc(CN2CCC[N@@H+]([C@@H](C)CO)CC2)ccc1[N+](=O)[O-] ZINC000346631769 410047374 /nfs/dbraw/zinc/04/73/74/410047374.db2.gz DGLFEQCGJFKVHB-ZDUSSCGKSA-N 1 0 323.393 1.492 20 5 DDBDRO Cc1cc(NC(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000332239270 410004970 /nfs/dbraw/zinc/00/49/70/410004970.db2.gz RBTXQEMIXVAJGH-RYUDHWBXSA-N 1 0 304.350 1.976 20 5 DDBDRO CCC[N@@H+]1CCC[C@H]1CNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000357553298 410099759 /nfs/dbraw/zinc/09/97/59/410099759.db2.gz UCIKKZUYVMHIBQ-JTQLQIEISA-N 1 0 307.354 1.375 20 5 DDBDRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000343110957 410154124 /nfs/dbraw/zinc/15/41/24/410154124.db2.gz YVGJCOIKKMOVCK-NHYWBVRUSA-N 1 0 319.361 1.382 20 5 DDBDRO NC(=O)c1cc([N+](=O)[O-])cnc1NCCC[NH2+]C1CCCCC1 ZINC000298304263 410173302 /nfs/dbraw/zinc/17/33/02/410173302.db2.gz NDEZOAXPPFGVOA-UHFFFAOYSA-N 1 0 321.381 1.813 20 5 DDBDRO COC(=O)COc1ccc(C[NH2+]CC[C@H](C)F)cc1[N+](=O)[O-] ZINC000339498030 410234893 /nfs/dbraw/zinc/23/48/93/410234893.db2.gz XKLLZRWXFDPWBX-JTQLQIEISA-N 1 0 314.313 1.984 20 5 DDBDRO C[NH+](C)C(C)(C)CNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000298923628 410452315 /nfs/dbraw/zinc/45/23/15/410452315.db2.gz BTAWVHQYYXANPM-UHFFFAOYSA-N 1 0 309.366 1.820 20 5 DDBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)NC[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000299040714 410495101 /nfs/dbraw/zinc/49/51/01/410495101.db2.gz RTCOVBZMDGUIAL-GXTWGEPZSA-N 1 0 321.377 1.849 20 5 DDBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)Nc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000299079975 410513211 /nfs/dbraw/zinc/51/32/11/410513211.db2.gz HAPSXFFRIPEXDP-MNOVXSKESA-N 1 0 321.381 1.621 20 5 DDBDRO Cc1c(CNC(=O)N[C@H]2CC[N@@H+](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000358605128 410493607 /nfs/dbraw/zinc/49/36/07/410493607.db2.gz HULYAEWPPNNNLH-ZDUSSCGKSA-N 1 0 318.377 1.939 20 5 DDBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CC1(O)CCC1 ZINC000337312548 410707081 /nfs/dbraw/zinc/70/70/81/410707081.db2.gz FHQDILMKJFQVRS-UHFFFAOYSA-N 1 0 307.350 1.770 20 5 DDBDRO Cc1ccn(CCCN2CC[NH+](C(C)C)CC2)c(=O)c1[N+](=O)[O-] ZINC000347707687 410680928 /nfs/dbraw/zinc/68/09/28/410680928.db2.gz YASYOBDYHSNRQW-UHFFFAOYSA-N 1 0 322.409 1.481 20 5 DDBDRO Cc1cnn(C)c1C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000347848893 410756421 /nfs/dbraw/zinc/75/64/21/410756421.db2.gz JKDHCJZEVWWJBY-LBPRGKRZSA-N 1 0 316.365 1.718 20 5 DDBDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000330599615 410813893 /nfs/dbraw/zinc/81/38/93/410813893.db2.gz ULMZLCIZBONOSL-RYUDHWBXSA-N 1 0 307.350 1.525 20 5 DDBDRO C[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)CC1(O)CCC1 ZINC000353474768 411013929 /nfs/dbraw/zinc/01/39/29/411013929.db2.gz WIYNFRRKQXMRKW-ZDUSSCGKSA-N 1 0 310.350 1.181 20 5 DDBDRO CN(C(=O)C[N@@H+]1C[C@@H]2CC[C@@H](O)[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000344085596 410945711 /nfs/dbraw/zinc/94/57/11/410945711.db2.gz SLPDWASCHPXQQN-NILFDRSVSA-N 1 0 319.361 1.260 20 5 DDBDRO Cn1cc(CC[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cn1 ZINC000353593259 411076725 /nfs/dbraw/zinc/07/67/25/411076725.db2.gz CNYBAKPIZZQJBC-ZIAGYGMSSA-N 1 0 318.381 1.841 20 5 DDBDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])nn2C)C1 ZINC000356444450 411033286 /nfs/dbraw/zinc/03/32/86/411033286.db2.gz IAEYKMDTXCHADH-NSHDSACASA-N 1 0 309.370 1.179 20 5 DDBDRO Cn1nc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000356464300 411044213 /nfs/dbraw/zinc/04/42/13/411044213.db2.gz SVQSWPGPCMFKGC-LLVKDONJSA-N 1 0 307.354 1.029 20 5 DDBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000129574803 196058469 /nfs/dbraw/zinc/05/84/69/196058469.db2.gz BPRXYBZLLXHNCM-AWEZNQCLSA-N 1 0 305.378 1.749 20 5 DDBDRO O=C(NCC1CC[NH+](CCO)CC1)c1ccc([N+](=O)[O-])s1 ZINC000132605787 196269821 /nfs/dbraw/zinc/26/98/21/196269821.db2.gz JYQMUWIBESQLOU-UHFFFAOYSA-N 1 0 313.379 1.090 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000417179063 225234587 /nfs/dbraw/zinc/23/45/87/225234587.db2.gz LRFLDWSWRFRGHB-MFKMUULPSA-N 1 0 320.349 1.107 20 5 DDBDRO C[C@]1(C[NH3+])CCN(C(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000417765559 225430161 /nfs/dbraw/zinc/43/01/61/225430161.db2.gz NZOXBORVZCRDOE-OAHLLOKOSA-N 1 0 306.366 1.518 20 5 DDBDRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1CCOc1cccc([N+](=O)[O-])c1 ZINC000419331832 226121185 /nfs/dbraw/zinc/12/11/85/226121185.db2.gz RXEGQPRARFJCJK-ZIAGYGMSSA-N 1 0 323.393 1.361 20 5 DDBDRO O=C(NCC1CC[NH2+]CC1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000297231860 226875758 /nfs/dbraw/zinc/87/57/58/226875758.db2.gz OXUMRWUYLHTAMN-UHFFFAOYSA-N 1 0 302.334 1.806 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC(C)(C)CC[NH3+] ZINC000422598780 227067969 /nfs/dbraw/zinc/06/79/69/227067969.db2.gz OCIZPGFQHIHNGY-UHFFFAOYSA-N 1 0 310.354 1.530 20 5 DDBDRO O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000290376933 221611163 /nfs/dbraw/zinc/61/11/63/221611163.db2.gz KMGJBJCOJQLRBA-VXGBXAGGSA-N 1 0 314.345 1.758 20 5 DDBDRO C[C@H]1C[N@@H+](C2CCN(c3ccc(N)cc3[N+](=O)[O-])CC2)CCO1 ZINC000367064702 418557313 /nfs/dbraw/zinc/55/73/13/418557313.db2.gz COGFSDCZGRDMTK-LBPRGKRZSA-N 1 0 320.393 1.867 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C[N@H+](C)CC)C2)n1 ZINC000191830421 222109773 /nfs/dbraw/zinc/10/97/73/222109773.db2.gz WQTYDVDRZAXOKV-NSHDSACASA-N 1 0 309.370 1.225 20 5 DDBDRO C[C@H]1CCCC[N@@H+]1CCNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290507287 418576843 /nfs/dbraw/zinc/57/68/43/418576843.db2.gz LGIHTFAFNWQDHY-JTQLQIEISA-N 1 0 307.354 1.375 20 5 DDBDRO CNc1c(C(=O)NC[C@@H](C2CC2)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000361177824 418598940 /nfs/dbraw/zinc/59/89/40/418598940.db2.gz LSUWZWCYVLZZDP-ZDUSSCGKSA-N 1 0 306.366 1.707 20 5 DDBDRO C[N@@H+]1CC[C@H]2CCN(CCOc3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC000375028370 418589877 /nfs/dbraw/zinc/58/98/77/418589877.db2.gz CJZVNEMITLNGDK-XJKSGUPXSA-N 1 0 305.378 2.000 20 5 DDBDRO CC1(C)[C@H](O)CC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000361403214 418646025 /nfs/dbraw/zinc/64/60/25/418646025.db2.gz NFYCZFSURSATDG-TZMCWYRMSA-N 1 0 310.350 1.180 20 5 DDBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(c2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000341798430 418626167 /nfs/dbraw/zinc/62/61/67/418626167.db2.gz KYDVACWGURZCKD-UTUOFQBUSA-N 1 0 320.397 1.809 20 5 DDBDRO O=[N+]([O-])c1cnn([C@H]2CCC[N@H+](CCCN3CCOCC3)C2)c1 ZINC000375404194 418636281 /nfs/dbraw/zinc/63/62/81/418636281.db2.gz NPRMPOYEFKFXGN-AWEZNQCLSA-N 1 0 323.397 1.151 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H]2C(=O)NC[C@@H]2C1 ZINC000368230638 418707376 /nfs/dbraw/zinc/70/73/76/418707376.db2.gz DYQZQBXUCHKQSW-OCCSQVGLSA-N 1 0 319.361 1.561 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC[C@H](n3cccn3)C2)c1 ZINC000368269712 418712941 /nfs/dbraw/zinc/71/29/41/418712941.db2.gz NADPGSWZQSMRDC-LSDHHAIUSA-N 1 0 302.334 1.772 20 5 DDBDRO CCO[C@@H]1COCC[C@H]1[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000362019185 418740032 /nfs/dbraw/zinc/74/00/32/418740032.db2.gz UPROJUMDANSDQS-HUUCEWRRSA-N 1 0 310.350 1.757 20 5 DDBDRO Cn1ccnc1[C@@H](NCC1([NH3+])CCC1)c1cccc([N+](=O)[O-])c1 ZINC000423326822 227444047 /nfs/dbraw/zinc/44/40/47/227444047.db2.gz MKVGUBNLCYKGDC-AWEZNQCLSA-N 1 0 315.377 1.889 20 5 DDBDRO Cc1nn(CCC(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)c(C)c1[N+](=O)[O-] ZINC000424022121 228220549 /nfs/dbraw/zinc/22/05/49/228220549.db2.gz UPUABHIXRGRHTM-GWCFXTLKSA-N 1 0 323.397 1.242 20 5 DDBDRO Cc1c(CNC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)cccc1[N+](=O)[O-] ZINC000418081673 419517516 /nfs/dbraw/zinc/51/75/16/419517516.db2.gz OJEBVEJEKJSCIG-OCCSQVGLSA-N 1 0 304.350 1.407 20 5 DDBDRO Cc1c(CNC(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000418082298 419520763 /nfs/dbraw/zinc/52/07/63/419520763.db2.gz PXCZOQDJZMPBQE-ZIAGYGMSSA-N 1 0 318.377 1.797 20 5 DDBDRO COc1ccc(CN2C[C@@H](C)[N@H+](CCO)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000418106334 419534615 /nfs/dbraw/zinc/53/46/15/419534615.db2.gz CDQSITYMUYCZLW-OLZOCXBDSA-N 1 0 323.393 1.490 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](CO)[C@@H]1CCCOC1 ZINC000411983750 419542204 /nfs/dbraw/zinc/54/22/04/419542204.db2.gz GKXWJNAINXSZHY-OCCSQVGLSA-N 1 0 310.350 1.481 20 5 DDBDRO O=[N+]([O-])c1cccc(OCC[NH2+][C@H](CO)[C@@H]2CCCOC2)c1 ZINC000411984342 419545399 /nfs/dbraw/zinc/54/53/99/419545399.db2.gz CPXPDSGMFVGGQS-IUODEOHRSA-N 1 0 310.350 1.351 20 5 DDBDRO Cc1c(CNC(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000418081629 419515620 /nfs/dbraw/zinc/51/56/20/419515620.db2.gz ODVRNWLRKRIUNM-GXFFZTMASA-N 1 0 306.366 1.782 20 5 DDBDRO Cc1c(CNC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000418079089 419517147 /nfs/dbraw/zinc/51/71/47/419517147.db2.gz KGEVHWVYHCAJJO-ZIAGYGMSSA-N 1 0 318.377 1.654 20 5 DDBDRO CC(C)[N@H+](CCOc1cccc([N+](=O)[O-])c1)C[C@H]1CCC(=O)N1 ZINC000412082292 419632124 /nfs/dbraw/zinc/63/21/24/419632124.db2.gz OZFJOAQHYKSYLW-CYBMUJFWSA-N 1 0 321.377 1.963 20 5 DDBDRO C[C@H](NC(=O)N[C@H]1CC[NH2+]C[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000418232675 419635769 /nfs/dbraw/zinc/63/57/69/419635769.db2.gz NCJHVQFNGXBIAB-SUNKGSAMSA-N 1 0 306.366 1.953 20 5 DDBDRO COC(=O)[C@H]1CSCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000412066698 419614638 /nfs/dbraw/zinc/61/46/38/419614638.db2.gz FTCPKZCENYKQAL-GFCCVEGCSA-N 1 0 310.375 1.933 20 5 DDBDRO COc1cccc(C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000421709845 419694898 /nfs/dbraw/zinc/69/48/98/419694898.db2.gz HKVLXAYGWAEIJC-NSHDSACASA-N 1 0 307.350 1.770 20 5 DDBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000418321110 419704947 /nfs/dbraw/zinc/70/49/47/419704947.db2.gz RNXQLZIOPIZXPT-CYBMUJFWSA-N 1 0 320.393 1.778 20 5 DDBDRO CC[NH2+]CCNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000418331615 419715748 /nfs/dbraw/zinc/71/57/48/419715748.db2.gz XWPIDSSXKTXECJ-UHFFFAOYSA-N 1 0 306.366 1.878 20 5 DDBDRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000418537995 419865727 /nfs/dbraw/zinc/86/57/27/419865727.db2.gz ACVKBBFSHCWBJK-NHYWBVRUSA-N 1 0 318.377 1.661 20 5 DDBDRO C[C@@H]([NH3+])[C@@H](C)NC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000418690638 419936702 /nfs/dbraw/zinc/93/67/02/419936702.db2.gz DAOOZBLJNNOKQW-NXEZZACHSA-N 1 0 308.338 1.103 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000415314108 420018571 /nfs/dbraw/zinc/01/85/71/420018571.db2.gz IXIXGOJGAXTQMA-LLVKDONJSA-N 1 0 320.349 1.018 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000415543410 420105859 /nfs/dbraw/zinc/10/58/59/420105859.db2.gz XFVOKAQFURWESM-LLVKDONJSA-N 1 0 320.349 1.004 20 5 DDBDRO Cc1c(NC(=O)C(=O)N2C[C@H](C)[NH2+]C[C@H]2C)cccc1[N+](=O)[O-] ZINC000415567868 420114427 /nfs/dbraw/zinc/11/44/27/420114427.db2.gz QMGZFMMTMJKQMK-VHSXEESVSA-N 1 0 320.349 1.051 20 5 DDBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423667302 420121094 /nfs/dbraw/zinc/12/10/94/420121094.db2.gz NMEAQWRGMXWKQX-PJXYFTJBSA-N 1 0 307.375 1.654 20 5 DDBDRO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000415636860 420131718 /nfs/dbraw/zinc/13/17/18/420131718.db2.gz YWONGMIPAGPISP-NXEZZACHSA-N 1 0 308.313 1.807 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000430565162 420141067 /nfs/dbraw/zinc/14/10/67/420141067.db2.gz OMNPPKAIXPRBSU-CHWSQXEVSA-N 1 0 320.393 1.901 20 5 DDBDRO CCO[C@H]1COCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1OC ZINC000430206038 420090171 /nfs/dbraw/zinc/09/01/71/420090171.db2.gz VNVZUMZRCBOEPX-ZFWWWQNUSA-N 1 0 310.350 1.887 20 5 DDBDRO C[C@H]1CC[NH2+][C@@H](C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)C1 ZINC000423823642 420209272 /nfs/dbraw/zinc/20/92/72/420209272.db2.gz IMHGZNFIOKAFDE-IINYFYTJSA-N 1 0 304.350 1.263 20 5 DDBDRO C[C@@H]([NH3+])C1CCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000430936689 420214264 /nfs/dbraw/zinc/21/42/64/420214264.db2.gz VVDRNYGXCQOBPM-GFCCVEGCSA-N 1 0 320.393 1.617 20 5 DDBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC[C@H](C[NH3+])C1 ZINC000430633301 420164346 /nfs/dbraw/zinc/16/43/46/420164346.db2.gz ZRJDFWKFPNSUCL-NWDGAFQWSA-N 1 0 306.366 1.593 20 5 DDBDRO COC(=O)c1cnc(NC[C@H]2CCC[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000420282866 420180460 /nfs/dbraw/zinc/18/04/60/420180460.db2.gz NJZPPVXYKLVQHJ-ONGXEEELSA-N 1 0 308.338 1.706 20 5 DDBDRO O=[N+]([O-])c1cccc(F)c1CN1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420348987 420227457 /nfs/dbraw/zinc/22/74/57/420227457.db2.gz NMAKDKWFYSAILZ-GFCCVEGCSA-N 1 0 308.357 1.213 20 5 DDBDRO C[C@H](N[C@@H]1[C@H](C)CC[NH2+][C@H]1C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000420369703 420240599 /nfs/dbraw/zinc/24/05/99/420240599.db2.gz OKQWMVCZHKBAPI-OXJKWZBOSA-N 1 0 320.393 1.898 20 5 DDBDRO [NH3+][C@@H]1CN(CCn2ccc([N+](=O)[O-])n2)C[C@H]1c1cccc(F)c1 ZINC000420388502 420254356 /nfs/dbraw/zinc/25/43/56/420254356.db2.gz LBMYNDHGBGLCNB-UONOGXRCSA-N 1 0 319.340 1.357 20 5 DDBDRO O=C(CCOc1ccccc1[N+](=O)[O-])NCC[C@H]1CCC[NH2+]1 ZINC000444264538 230071765 /nfs/dbraw/zinc/07/17/65/230071765.db2.gz JQHCEWPUHVUWQL-GFCCVEGCSA-N 1 0 307.350 1.622 20 5 DDBDRO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+](CCO)C3CCOCC3)nc2c1 ZINC000444691498 230121799 /nfs/dbraw/zinc/12/17/99/230121799.db2.gz ZNMRPCNRJFYFFX-UHFFFAOYSA-N 1 0 320.349 1.444 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](c2nnc[nH]2)C1 ZINC000425550239 420416477 /nfs/dbraw/zinc/41/64/77/420416477.db2.gz OTZBVBMXRYQWNI-SNVBAGLBSA-N 1 0 303.322 1.711 20 5 DDBDRO CC1(C)OCC[C@@H]1[NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000451245528 420595753 /nfs/dbraw/zinc/59/57/53/420595753.db2.gz UCAXHKIRZGWGJN-KBPBESRZSA-N 1 0 319.361 1.857 20 5 DDBDRO C[C@H](CNC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)c1ccccc1[N+](=O)[O-] ZINC001120577573 782033614 /nfs/dbraw/zinc/03/36/14/782033614.db2.gz DOYMGRALKXHGCM-JMSVASOKSA-N 1 0 318.377 1.702 20 5 DDBDRO COCCOCC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447526478 420779389 /nfs/dbraw/zinc/77/93/89/420779389.db2.gz BUDRHNHFOKIGSP-OLZOCXBDSA-N 1 0 312.370 1.528 20 5 DDBDRO C[C@@H]1C[NH2+]C[C@H](C)N1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000493607025 420895588 /nfs/dbraw/zinc/89/55/88/420895588.db2.gz SPQAWSUGAKUBKJ-TXEJJXNPSA-N 1 0 306.366 1.240 20 5 DDBDRO O=[N+]([O-])c1cccc(OCC[NH2+]C2(CO)CCSCC2)c1 ZINC000459716503 420856919 /nfs/dbraw/zinc/85/69/19/420856919.db2.gz SGPNTLWQKAWSMQ-UHFFFAOYSA-N 1 0 312.391 1.821 20 5 DDBDRO COCC[NH2+]CCNC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000493544915 420878909 /nfs/dbraw/zinc/87/89/09/420878909.db2.gz CEANPWPGTNAPMT-HYXAFXHYSA-N 1 0 311.313 1.099 20 5 DDBDRO COc1cc(CCNC(=O)C2([NH3+])CCC2)c([N+](=O)[O-])cc1OC ZINC000449183861 420965986 /nfs/dbraw/zinc/96/59/86/420965986.db2.gz LOVNUENPBYEXKU-UHFFFAOYSA-N 1 0 323.349 1.152 20 5 DDBDRO CC[C@H](C)[N@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])c(NC)n1 ZINC000455363201 421003021 /nfs/dbraw/zinc/00/30/21/421003021.db2.gz WXSMNQILTLCFPQ-JTQLQIEISA-N 1 0 309.370 1.492 20 5 DDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@@H](C)[NH3+])cc1OC ZINC000449589596 421033790 /nfs/dbraw/zinc/03/37/90/421033790.db2.gz JZYWARKBRSTYMB-BDAKNGLRSA-N 1 0 311.338 1.468 20 5 DDBDRO CCOc1cc(C(=O)N[C@H](C)[C@H](C)[NH3+])c([N+](=O)[O-])cc1OC ZINC000449597823 421034186 /nfs/dbraw/zinc/03/41/86/421034186.db2.gz ZXGJBYIGMSSOAF-DTWKUNHWSA-N 1 0 311.338 1.468 20 5 DDBDRO COc1cc(C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)cc([N+](=O)[O-])c1OC ZINC000449729432 421070022 /nfs/dbraw/zinc/07/00/22/421070022.db2.gz ZOMLVHLBEORUKX-MWLCHTKSSA-N 1 0 323.349 1.469 20 5 DDBDRO CN(CC(=O)N[C@H]1CC[C@H](C[NH3+])C1)c1ccccc1[N+](=O)[O-] ZINC000449727340 421070187 /nfs/dbraw/zinc/07/01/87/421070187.db2.gz PIPJAFIKLIMPJV-RYUDHWBXSA-N 1 0 306.366 1.275 20 5 DDBDRO COc1cc(C[NH2+]C[C@H](O)C2CCC2)c([N+](=O)[O-])cc1OC ZINC000449741906 421071062 /nfs/dbraw/zinc/07/10/62/421071062.db2.gz XBJHTUJOCKAYMF-ZDUSSCGKSA-N 1 0 310.350 1.863 20 5 DDBDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000522811421 421225445 /nfs/dbraw/zinc/22/54/45/421225445.db2.gz PHXVLNXYJGYXJP-LBPRGKRZSA-N 1 0 309.370 1.028 20 5 DDBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC000560975079 421300557 /nfs/dbraw/zinc/30/05/57/421300557.db2.gz HLYCAGVNMRDIJF-TUAOUCFPSA-N 1 0 321.381 1.795 20 5 DDBDRO C[N@@H+]1CCC[C@@H](CNc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C1 ZINC000561192800 421310905 /nfs/dbraw/zinc/31/09/05/421310905.db2.gz WBOGBBWMBUAKAD-JTQLQIEISA-N 1 0 317.349 1.997 20 5 DDBDRO CC[C@@H]1C[N@H+](C)CCN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000514649902 421442411 /nfs/dbraw/zinc/44/24/11/421442411.db2.gz OCLZXUWIPLSZRH-KGLIPLIRSA-N 1 0 323.393 1.361 20 5 DDBDRO COc1ccc(CC(=O)N2CCC[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000562646287 421391996 /nfs/dbraw/zinc/39/19/96/421391996.db2.gz IKHRDPVEMCKUKK-GFCCVEGCSA-N 1 0 307.350 1.343 20 5 DDBDRO CC1CC[NH+](CCCNC(=O)c2ccnc(N)c2[N+](=O)[O-])CC1 ZINC000548055986 421394037 /nfs/dbraw/zinc/39/40/37/421394037.db2.gz AJFZIRQUXTVYCP-UHFFFAOYSA-N 1 0 321.381 1.424 20 5 DDBDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2ccnc(N)c2[N+](=O)[O-])C1 ZINC000548747911 421469359 /nfs/dbraw/zinc/46/93/59/421469359.db2.gz SSKNYCCSOXBNGV-NXEZZACHSA-N 1 0 307.354 1.175 20 5 DDBDRO CN1CCN(C)[C@H](C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000563418844 421506673 /nfs/dbraw/zinc/50/66/73/421506673.db2.gz QINQVXDWMRYTBR-DOMZBBRYSA-N 1 0 304.394 1.418 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000549744258 421506711 /nfs/dbraw/zinc/50/67/11/421506711.db2.gz QLIJVNNCTLDAFB-UHFFFAOYSA-N 1 0 309.370 1.042 20 5 DDBDRO C[NH2+][C@@H]1CCCN(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000517338022 421609251 /nfs/dbraw/zinc/60/92/51/421609251.db2.gz ZJUODABAFVPGEK-GFCCVEGCSA-N 1 0 322.365 1.367 20 5 DDBDRO C[C@H]1C[C@H](C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCO1 ZINC000554446019 421640671 /nfs/dbraw/zinc/64/06/71/421640671.db2.gz WZZJRKOKFUQTTN-UONOGXRCSA-N 1 0 320.393 1.927 20 5 DDBDRO CC1(C)C[C@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000570564036 421653629 /nfs/dbraw/zinc/65/36/29/421653629.db2.gz FNNGATHRPHLHSK-OCCSQVGLSA-N 1 0 324.377 1.882 20 5 DDBDRO C[C@@H](NC(=O)c1ccnc(N)c1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000565783942 421600641 /nfs/dbraw/zinc/60/06/41/421600641.db2.gz OYYUODWGGLFVRQ-SECBINFHSA-N 1 0 309.370 1.278 20 5 DDBDRO CN(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000519709561 421719919 /nfs/dbraw/zinc/71/99/19/421719919.db2.gz KNLUUAHEWBIASN-SNVBAGLBSA-N 1 0 312.757 1.480 20 5 DDBDRO C[C@@H](C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)Cc1cccs1 ZINC000521031300 421770140 /nfs/dbraw/zinc/77/01/40/421770140.db2.gz ZLJSEGPLYPWFFB-YPMHNXCESA-N 1 0 324.406 1.682 20 5 DDBDRO C[C@H](CCc1cccn1C)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000572393680 421782908 /nfs/dbraw/zinc/78/29/08/421782908.db2.gz SUHBDWGZLZDCMH-IUODEOHRSA-N 1 0 321.381 1.102 20 5 DDBDRO CC[C@H]1C[N@H+](C)CCN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000557919932 421794627 /nfs/dbraw/zinc/79/46/27/421794627.db2.gz KDRTVCNRCTYFNG-ZDUSSCGKSA-N 1 0 320.393 1.949 20 5 DDBDRO [NH3+]C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)CC12CCOCC2 ZINC000572761159 421857540 /nfs/dbraw/zinc/85/75/40/421857540.db2.gz ZVUOWTLYYFLMLJ-ZDUSSCGKSA-N 1 0 319.361 1.422 20 5 DDBDRO Cc1ncc(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])s1 ZINC000574191305 422073824 /nfs/dbraw/zinc/07/38/24/422073824.db2.gz BRNUKDPYCAWTLC-NSHDSACASA-N 1 0 323.374 1.889 20 5 DDBDRO COCCN(CC[NH+](C)C)C(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000574991436 422231256 /nfs/dbraw/zinc/23/12/56/422231256.db2.gz XZTICTRYEUIZBW-UHFFFAOYSA-N 1 0 309.366 1.553 20 5 DDBDRO CCOC(=O)c1ccnc(NCC[C@H](C)[NH+](C)C)c1[N+](=O)[O-] ZINC000596428589 422376557 /nfs/dbraw/zinc/37/65/57/422376557.db2.gz FMJRSFVEYSLBTD-JTQLQIEISA-N 1 0 310.354 1.919 20 5 DDBDRO C[C@@H]1C[NH+](CCCCNc2ccc(N)c([N+](=O)[O-])n2)C[C@@H](C)O1 ZINC000590584697 422320908 /nfs/dbraw/zinc/32/09/08/422320908.db2.gz ACIYOHRFQBJYKB-VXGBXAGGSA-N 1 0 323.397 1.873 20 5 DDBDRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)c1ccnc(NC)c1[N+](=O)[O-] ZINC000597605243 422388722 /nfs/dbraw/zinc/38/87/22/422388722.db2.gz OTQWARRXCOUBTG-LLVKDONJSA-N 1 0 321.381 1.588 20 5 DDBDRO C[NH+]1CCC(C(=O)NCCNc2ccccc2[N+](=O)[O-])CC1 ZINC000096624943 263335764 /nfs/dbraw/zinc/33/57/64/263335764.db2.gz QNOIZFJEOKMUGX-UHFFFAOYSA-N 1 0 306.366 1.465 20 5 DDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C2CCOCC2)cc1 ZINC000342356137 271387140 /nfs/dbraw/zinc/38/71/40/271387140.db2.gz LKLDBIZDRVCPAD-UHFFFAOYSA-N 1 0 314.363 1.137 20 5 DDBDRO CN(CC[NH+]1CCCC1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000343553294 271801193 /nfs/dbraw/zinc/80/11/93/271801193.db2.gz PVIZZBAVOXYKOQ-AWEZNQCLSA-N 1 0 323.393 1.362 20 5 DDBDRO CNC(=O)c1ccc(N[C@@H]2CCC[N@H+](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000343596264 271812368 /nfs/dbraw/zinc/81/23/68/271812368.db2.gz GVJTXWZAQRMWTG-CMPLNLGQSA-N 1 0 306.366 1.849 20 5 DDBDRO Cc1n[nH]c(C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)c1[N+](=O)[O-] ZINC000344673730 272086445 /nfs/dbraw/zinc/08/64/45/272086445.db2.gz MPZMOHGNPARIKT-SNVBAGLBSA-N 1 0 309.370 1.477 20 5 DDBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCS(=O)(=O)C1 ZINC000344790479 272119516 /nfs/dbraw/zinc/11/95/16/272119516.db2.gz JDNNYXMECXEMQE-LWMSPQMPSA-N 1 0 310.375 1.775 20 5 DDBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)CCn2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000345933145 272369737 /nfs/dbraw/zinc/36/97/37/272369737.db2.gz AJOUXZLKUHILBL-NWDGAFQWSA-N 1 0 309.370 1.123 20 5 DDBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)COc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000345971488 272379631 /nfs/dbraw/zinc/37/96/31/272379631.db2.gz VEPSMEUYDGFAGB-QWHCGFSZSA-N 1 0 321.377 1.915 20 5 DDBDRO COCC[N@H+](C)CCNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000273386961 274023043 /nfs/dbraw/zinc/02/30/43/274023043.db2.gz JHEZJEXCIDBCON-UHFFFAOYSA-N 1 0 314.317 1.434 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)CCS(C)(=O)=O ZINC000449188253 274498761 /nfs/dbraw/zinc/49/87/61/274498761.db2.gz JYILPXNYUXZXCS-NWDGAFQWSA-N 1 0 314.407 1.939 20 5 DDBDRO CC1(C)CCC[NH2+][C@H]1C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000423832408 276107039 /nfs/dbraw/zinc/10/70/39/276107039.db2.gz XYZNYQWQGOBXCU-AWEZNQCLSA-N 1 0 318.377 1.653 20 5 DDBDRO CCN(CCC[NH+]1CCCC1)C(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000276506253 276123275 /nfs/dbraw/zinc/12/32/75/276123275.db2.gz VPIVDFWVJZDQSH-UHFFFAOYSA-N 1 0 323.397 1.585 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH2+]C(C)(C)C2)c1 ZINC000423706422 276376609 /nfs/dbraw/zinc/37/66/09/276376609.db2.gz JDIKMBJJLDMMDW-UHFFFAOYSA-N 1 0 307.350 1.818 20 5 DDBDRO C[NH+](C)[C@@H]1CCC[C@H](Nc2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000290831999 276834224 /nfs/dbraw/zinc/83/42/24/276834224.db2.gz UTFYDLCFZGUVBO-VHSXEESVSA-N 1 0 307.354 1.373 20 5 DDBDRO C[N@@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])n[nH]2)[C@H]1c1ccccc1 ZINC000285492490 277136843 /nfs/dbraw/zinc/13/68/43/277136843.db2.gz AMVVQRPHEXNCQG-BXUZGUMPSA-N 1 0 315.333 1.493 20 5 DDBDRO CC(C)(O)C[NH+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000321428696 277316382 /nfs/dbraw/zinc/31/63/82/277316382.db2.gz MUWKVVGVVBBTAY-UHFFFAOYSA-N 1 0 322.365 1.515 20 5 DDBDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000272187721 278318170 /nfs/dbraw/zinc/31/81/70/278318170.db2.gz DWSIVUVGDMEUFY-BDAKNGLRSA-N 1 0 308.294 1.312 20 5 DDBDRO C[C@H]1[NH2+]CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)[C@@H]1C ZINC000440819704 278512935 /nfs/dbraw/zinc/51/29/35/278512935.db2.gz WUPQJXQBCDXVQC-HTQZYQBOSA-N 1 0 305.381 1.027 20 5 DDBDRO CCN(CCC[NH+](C)C)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000190857025 279179151 /nfs/dbraw/zinc/17/91/51/279179151.db2.gz YXMAXCZBWMPBKO-UHFFFAOYSA-N 1 0 315.395 1.557 20 5 DDBDRO CC[N@@H+]1CC[C@@H](N(C)c2nccc(C(N)=O)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000290814671 279398365 /nfs/dbraw/zinc/39/83/65/279398365.db2.gz RQZRQIRZHWGZRH-CMPLNLGQSA-N 1 0 321.381 1.255 20 5 DDBDRO [NH3+][C@H]1CCC[C@H](C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000238037831 279688416 /nfs/dbraw/zinc/68/84/16/279688416.db2.gz DADOURBCQPYPHA-JSGCOSHPSA-N 1 0 303.362 1.997 20 5 DDBDRO Cc1cc(C)c(S(=O)(=O)N[C@H](C)[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000420447362 280396731 /nfs/dbraw/zinc/39/67/31/280396731.db2.gz VGBLYIANQHESIF-NXEZZACHSA-N 1 0 301.368 1.226 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@@H](C)CC[NH3+])c1 ZINC000420420842 280654715 /nfs/dbraw/zinc/65/47/15/280654715.db2.gz KIKUYKPMWPRORA-VIFPVBQESA-N 1 0 301.368 1.227 20 5 DDBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)CC[NH+]1CCCC1 ZINC000089899065 281027711 /nfs/dbraw/zinc/02/77/11/281027711.db2.gz MBMIQRNYHCOFLP-ZDUSSCGKSA-N 1 0 320.393 1.949 20 5 DDBDRO C[NH+](C)C[C@](C)(O)CNc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000132939755 281474197 /nfs/dbraw/zinc/47/41/97/281474197.db2.gz LQYDSOUFNNMDKE-CQSZACIVSA-N 1 0 321.337 1.369 20 5 DDBDRO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000269304003 295256863 /nfs/dbraw/zinc/25/68/63/295256863.db2.gz YIYXLAWXFICTRJ-GXSJLCMTSA-N 1 0 321.333 1.223 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CC2(c3ccccc3)CC2)c1 ZINC000572444660 304527281 /nfs/dbraw/zinc/52/72/81/304527281.db2.gz STMQDJABESNBLN-OAHLLOKOSA-N 1 0 316.361 1.474 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000357911255 299018248 /nfs/dbraw/zinc/01/82/48/299018248.db2.gz ROWSDEGPZZIVCY-NSHDSACASA-N 1 0 319.361 1.984 20 5 DDBDRO Cn1nccc1[C@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000363327063 300251817 /nfs/dbraw/zinc/25/18/17/300251817.db2.gz IZAHKWPCXLDNTJ-LBPRGKRZSA-N 1 0 304.354 1.404 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3N)C[C@@H]21 ZINC000364307977 300373128 /nfs/dbraw/zinc/37/31/28/300373128.db2.gz NTTLXUNWYNSWHL-YGRLFVJLSA-N 1 0 304.350 1.343 20 5 DDBDRO CCC[C@H](C(=O)N1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1)[NH+](C)C ZINC000364366908 300384984 /nfs/dbraw/zinc/38/49/84/300384984.db2.gz AESNPONYBJLGTP-GXTWGEPZSA-N 1 0 323.397 1.685 20 5 DDBDRO O=C(NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)[C@H]1C[C@H]1[N+](=O)[O-] ZINC000364454397 300399500 /nfs/dbraw/zinc/39/95/00/300399500.db2.gz KPTBXFIEPGQNKN-HRCADAONSA-N 1 0 317.389 1.823 20 5 DDBDRO [NH2+]=C(NO)[C@@H]1CCCCN1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000367464335 300849159 /nfs/dbraw/zinc/84/91/59/300849159.db2.gz RRLZOPUUCNPULD-NSHDSACASA-N 1 0 323.309 1.814 20 5 DDBDRO Cc1nn(CCC(=O)N[C@@H]2CCC[NH2+]CC2)c(C)c1[N+](=O)[O-] ZINC000368720340 301081048 /nfs/dbraw/zinc/08/10/48/301081048.db2.gz XKJXCGUXOTYWOI-GFCCVEGCSA-N 1 0 309.370 1.057 20 5 DDBDRO [NH3+][C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000368805396 301090218 /nfs/dbraw/zinc/09/02/18/301090218.db2.gz JAQDEINPCQUCHK-CNDDSTCGSA-N 1 0 304.350 1.487 20 5 DDBDRO Cc1c(CC(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)cccc1[N+](=O)[O-] ZINC000370158907 301285606 /nfs/dbraw/zinc/28/56/06/301285606.db2.gz HIOFOTMKIUVBLL-OCCSQVGLSA-N 1 0 303.362 1.656 20 5 DDBDRO C[C@@H]1C[C@H](NC(=O)[C@H]2C[C@@H]2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000370215046 301295888 /nfs/dbraw/zinc/29/58/88/301295888.db2.gz JIUGHIHINDJBTI-OJLVUWQFSA-N 1 0 317.389 1.821 20 5 DDBDRO COc1cc(OCC(=O)N[C@@H]2CCC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000376385538 302069770 /nfs/dbraw/zinc/06/97/70/302069770.db2.gz LFAIINLVDBSKHS-LLVKDONJSA-N 1 0 323.349 1.241 20 5 DDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000420442616 302384518 /nfs/dbraw/zinc/38/45/18/302384518.db2.gz PVVSEALDIYWBHB-IUCAKERBSA-N 1 0 301.368 1.171 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC[C@@H](C)C[NH3+])c1C ZINC000447243549 302395609 /nfs/dbraw/zinc/39/56/09/302395609.db2.gz HSEZUQPCPRBXFE-QMMMGPOBSA-N 1 0 301.368 1.085 20 5 DDBDRO CC1(C)CC[C@H](C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])O1 ZINC000515167040 302766960 /nfs/dbraw/zinc/76/69/60/302766960.db2.gz ZKSLSARYJUGAKV-CHWSQXEVSA-N 1 0 324.377 1.882 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1C[C@@H](O)C1(C)C ZINC000516192085 302786629 /nfs/dbraw/zinc/78/66/29/302786629.db2.gz RMZLJOUIVNHWQJ-CHWSQXEVSA-N 1 0 323.349 1.291 20 5 DDBDRO CCO[C@H]1C[C@@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000517359520 302811610 /nfs/dbraw/zinc/81/16/10/302811610.db2.gz GXYFCBRJDLYIJW-RWMBFGLXSA-N 1 0 310.350 1.492 20 5 DDBDRO CC(C)[NH+](CCN(C)c1nccc(C(N)=O)c1[N+](=O)[O-])C(C)C ZINC000357446637 306885606 /nfs/dbraw/zinc/88/56/06/306885606.db2.gz WZHJKJJNAUQVJR-UHFFFAOYSA-N 1 0 323.397 1.644 20 5 DDBDRO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cn1)[N@@H+]1CCCC[C@H]1C ZINC000532134477 303276203 /nfs/dbraw/zinc/27/62/03/303276203.db2.gz ZCMFMQXNBZBRBK-NEPJUHHUSA-N 1 0 306.366 1.983 20 5 DDBDRO COC[C@](C)(O)C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000532221978 303278996 /nfs/dbraw/zinc/27/89/96/303278996.db2.gz KGMSIPXPFPNVAU-GDBMZVCRSA-N 1 0 308.378 1.903 20 5 DDBDRO Cn1c(C(=O)N[C@@H]2CN(C)Cc3ccccc32)ccc1[N+](=O)[O-] ZINC000535282492 303345557 /nfs/dbraw/zinc/34/55/57/303345557.db2.gz ZANVWTRUTSBCJV-CYBMUJFWSA-N 1 0 314.345 1.850 20 5 DDBDRO CN1CCC[C@H]([N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1=O ZINC000538712078 303389472 /nfs/dbraw/zinc/38/94/72/303389472.db2.gz PLRAFLFAFQYICM-AAEUAGOBSA-N 1 0 319.365 1.097 20 5 DDBDRO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000269304004 303424401 /nfs/dbraw/zinc/42/44/01/303424401.db2.gz YIYXLAWXFICTRJ-KOLCDFICSA-N 1 0 321.333 1.223 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000560381042 303810129 /nfs/dbraw/zinc/81/01/29/303810129.db2.gz KRXANPQZZDGGRF-UHFFFAOYSA-N 1 0 306.366 1.680 20 5 DDBDRO C[C@H]([NH2+]C[C@@H]1CS(=O)(=O)CCO1)c1ccc([N+](=O)[O-])cc1 ZINC000358306746 306939175 /nfs/dbraw/zinc/93/91/75/306939175.db2.gz PXCPMHXRPKVUMB-GXFFZTMASA-N 1 0 314.363 1.059 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CC[C@H]([NH+]3CCCC3)C2)c2nonc21 ZINC000363684264 307033535 /nfs/dbraw/zinc/03/35/35/307033535.db2.gz XCNKUAIAMNYDAU-JTQLQIEISA-N 1 0 303.322 1.806 20 5 DDBDRO O=[N+]([O-])c1ccc(CCN2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1 ZINC000363733873 307034506 /nfs/dbraw/zinc/03/45/06/307034506.db2.gz UIEPAPWYMWVXIT-SJORKVTESA-N 1 0 319.405 1.668 20 5 DDBDRO Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000372737046 307174087 /nfs/dbraw/zinc/17/40/87/307174087.db2.gz CTUOIWSJGGSPOE-ZDUSSCGKSA-N 1 0 304.354 1.670 20 5 DDBDRO O=C1OCC[C@@H]2CCN(C[C@@H](O)c3cccc([N+](=O)[O-])c3)[C@H]12 ZINC000376333327 307242753 /nfs/dbraw/zinc/24/27/53/307242753.db2.gz NHKBPPSQHGHKHU-GDLCADMTSA-N 1 0 306.318 1.266 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000376570243 307248125 /nfs/dbraw/zinc/24/81/25/307248125.db2.gz SQIINZYZULKSMD-DGCLKSJQSA-N 1 0 321.381 1.185 20 5 DDBDRO CNc1ccc(C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000516001710 307410274 /nfs/dbraw/zinc/41/02/74/307410274.db2.gz KYXWYUHJUDZKHZ-NWDGAFQWSA-N 1 0 304.350 1.318 20 5 DDBDRO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000535836239 307660882 /nfs/dbraw/zinc/66/08/82/307660882.db2.gz MLAWRFZXDZVNJN-ZDUSSCGKSA-N 1 0 323.393 1.726 20 5 DDBDRO O=C(Nc1ccncc1[N+](=O)[O-])N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000556978774 307860958 /nfs/dbraw/zinc/86/09/58/307860958.db2.gz VTDABZYLPIXAJJ-CQSZACIVSA-N 1 0 305.338 1.019 20 5 DDBDRO C[C@@H](CCCO)C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000563138939 307957750 /nfs/dbraw/zinc/95/77/50/307957750.db2.gz WNMAHOZXYMBXKA-LBPRGKRZSA-N 1 0 309.366 1.922 20 5 DDBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000563562194 307975646 /nfs/dbraw/zinc/97/56/46/307975646.db2.gz RMVCSZNSAIODDI-MRXNPFEDSA-N 1 0 318.377 1.880 20 5 DDBDRO CCC[NH2+]CCNC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000565293707 308027194 /nfs/dbraw/zinc/02/71/94/308027194.db2.gz JPVXHSXIHIZFLS-UHFFFAOYSA-N 1 0 310.354 1.272 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000565298980 308027289 /nfs/dbraw/zinc/02/72/89/308027289.db2.gz HMSVKGZDSVOJNA-GFCCVEGCSA-N 1 0 305.334 1.570 20 5 DDBDRO CCC(CC)(C[NH3+])NC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000566100532 308043334 /nfs/dbraw/zinc/04/33/34/308043334.db2.gz IHOMGDZYDKBMNA-UHFFFAOYSA-N 1 0 309.366 1.780 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@@H]2CCC[C@H]2C2CC2)c1 ZINC000566120657 308044147 /nfs/dbraw/zinc/04/41/47/308044147.db2.gz NZFCVTNCOGLAKO-CFVMTHIKSA-N 1 0 308.382 1.568 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H]2C[C@H]2C2CCCCC2)c1 ZINC000566124088 308044617 /nfs/dbraw/zinc/04/46/17/308044617.db2.gz HIDVGWOQUCDNFW-SOUVJXGZSA-N 1 0 308.382 1.711 20 5 DDBDRO C[C@@H](NC(=O)NCc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]C1 ZINC000570813121 308181357 /nfs/dbraw/zinc/18/13/57/308181357.db2.gz BUKIJVBKOWMJSN-DGCLKSJQSA-N 1 0 306.366 1.782 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@H]1CCN(C2CC2)C1 ZINC000570837481 308182213 /nfs/dbraw/zinc/18/22/13/308182213.db2.gz RYJUAJANIKBYFD-JSGCOSHPSA-N 1 0 321.377 1.161 20 5 DDBDRO COC(=O)CC1([NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000571408214 308195760 /nfs/dbraw/zinc/19/57/60/308195760.db2.gz NGJPORFXEUCNDZ-UHFFFAOYSA-N 1 0 322.317 1.647 20 5 DDBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@@H](C2CC2)[C@@H]2CNCCO2)cc1 ZINC000573675778 308248305 /nfs/dbraw/zinc/24/83/05/308248305.db2.gz FZXGMESVBOXVQR-HOTGVXAUSA-N 1 0 321.377 1.330 20 5 DDBDRO COc1ccc(CC(=O)N[C@H]2CC[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000573723085 308251128 /nfs/dbraw/zinc/25/11/28/308251128.db2.gz TWTFSQSVMIJGGU-NEPJUHHUSA-N 1 0 307.350 1.390 20 5 DDBDRO C[C@H]([NH2+][C@@H]1C[C@H](O)C1(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000577290579 308377649 /nfs/dbraw/zinc/37/76/49/308377649.db2.gz RGSMDQRISPAAAB-BIMULSAOSA-N 1 0 307.350 1.671 20 5 DDBDRO CC(=O)N1CC([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000580724334 308626779 /nfs/dbraw/zinc/62/67/79/308626779.db2.gz CLLFOUUKVBGAGW-OAHLLOKOSA-N 1 0 303.362 1.736 20 5 DDBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]C[C@@H](O)CC(F)(F)F)nc2c1 ZINC000582236946 325995416 /nfs/dbraw/zinc/99/54/16/325995416.db2.gz VAKPNFDZLYMFBM-QMMMGPOBSA-N 1 0 318.255 1.874 20 5 DDBDRO Cc1c(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])cnn1C ZINC000584346122 335652030 /nfs/dbraw/zinc/65/20/30/335652030.db2.gz SSKLGSIVGIUYHY-UHFFFAOYSA-N 1 0 317.349 1.755 20 5 DDBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCC[NH2+]1 ZINC000583801622 337334810 /nfs/dbraw/zinc/33/48/10/337334810.db2.gz YKLUOIJMQVSTSD-LLVKDONJSA-N 1 0 308.338 1.025 20 5 DDBDRO COc1cc(C(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)c([N+](=O)[O-])cc1F ZINC000590767511 483927563 /nfs/dbraw/zinc/92/75/63/483927563.db2.gz ILGYEBQLIKQDOU-ZANVPECISA-N 1 0 323.324 1.519 20 5 DDBDRO C[C@H]1[C@@H]([NH3+])CCN1[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000420360532 534139464 /nfs/dbraw/zinc/13/94/64/534139464.db2.gz WYFWRAQRGXUBDY-BPNCWPANSA-N 1 0 304.350 1.122 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N(C)C1CC([NH3+])C1 ZINC000415793688 534319853 /nfs/dbraw/zinc/31/98/53/534319853.db2.gz UTQIBBGUDKVHAT-UHFFFAOYSA-N 1 0 320.349 1.098 20 5 DDBDRO Cc1nc(N(C)CC2CC[NH+](C[C@H](C)O)CC2)ncc1[N+](=O)[O-] ZINC000297263859 534437580 /nfs/dbraw/zinc/43/75/80/534437580.db2.gz WFBINWFEOHTOCF-NSHDSACASA-N 1 0 323.397 1.222 20 5 DDBDRO O=[N+]([O-])c1cccc(CS(=O)(=O)NCC[C@H]2CC[NH2+]C2)c1 ZINC000443457090 534885692 /nfs/dbraw/zinc/88/56/92/534885692.db2.gz WBEDXXFBFCSOEU-LLVKDONJSA-N 1 0 313.379 1.014 20 5 DDBDRO O=C(NCC1CC[NH+](CCO)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000111417359 527610067 /nfs/dbraw/zinc/61/00/67/527610067.db2.gz GOLNNHTZAXWMBG-UHFFFAOYSA-N 1 0 322.365 1.421 20 5 DDBDRO CCO[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C[C@@H]1C ZINC000451522227 527763962 /nfs/dbraw/zinc/76/39/62/527763962.db2.gz AWNKHJSKUMDDHU-GXTWGEPZSA-N 1 0 309.366 1.503 20 5 DDBDRO CC[NH2+][C@H](C)CNS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000420437296 528421184 /nfs/dbraw/zinc/42/11/84/528421184.db2.gz PSNWAMLVQIKQMV-SNVBAGLBSA-N 1 0 315.395 1.488 20 5 DDBDRO CC(C)[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)C1(CO)CCCC1 ZINC000459545600 528587389 /nfs/dbraw/zinc/58/73/89/528587389.db2.gz SMXOZWRBLKYLDY-CQSZACIVSA-N 1 0 310.398 1.958 20 5 DDBDRO CC1(C)CCC[N@H+](CCNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000444624992 528935864 /nfs/dbraw/zinc/93/58/64/528935864.db2.gz YKPXEVWHWBEMJG-UHFFFAOYSA-N 1 0 322.365 1.547 20 5 DDBDRO CC1(C)COC[C@@H]1[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000451811372 529133792 /nfs/dbraw/zinc/13/37/92/529133792.db2.gz QRLMPFBMQHJBDL-ZDUSSCGKSA-N 1 0 307.350 1.938 20 5 DDBDRO CC[C@@H](C)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])c(NC)n2)CC1 ZINC000456546041 529354554 /nfs/dbraw/zinc/35/45/54/529354554.db2.gz HWLYAVUAKALFRW-LLVKDONJSA-N 1 0 321.381 1.588 20 5 DDBDRO C[C@H]1CCC[N@@H+]1CCNc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000820715697 599084505 /nfs/dbraw/zinc/08/45/05/599084505.db2.gz CQTJEVHWEUTQGW-VIFPVBQESA-N 1 0 318.341 1.066 20 5 DDBDRO CCCCNC(=O)[C@H]1CC[C@H](C)N(Cn2nccc2[N+](=O)[O-])C1 ZINC000122592118 696723620 /nfs/dbraw/zinc/72/36/20/696723620.db2.gz QXUHNIGBYNJVIV-STQMWFEESA-N 1 0 323.397 1.766 20 5 DDBDRO COCCC[N@H+](CCOC)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000068963691 696378937 /nfs/dbraw/zinc/37/89/37/696378937.db2.gz DNUTZIOFAKLQPG-UHFFFAOYSA-N 1 0 322.365 1.887 20 5 DDBDRO CC(=O)OC1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000153322390 696913163 /nfs/dbraw/zinc/91/31/63/696913163.db2.gz ZLEBOWAPLXNTCI-OAHLLOKOSA-N 1 0 308.334 1.656 20 5 DDBDRO Cn1nccc1CC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000774361391 697872409 /nfs/dbraw/zinc/87/24/09/697872409.db2.gz XSUHSQDNYJRWCM-ZIAGYGMSSA-N 1 0 318.381 1.841 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]C1CCN(C(=O)C2CCC2)CC1 ZINC000989840746 698790473 /nfs/dbraw/zinc/79/04/73/698790473.db2.gz JCBALTAIDGQPBQ-UHFFFAOYSA-N 1 0 321.381 1.209 20 5 DDBDRO Nc1c(F)c(NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)ccc1[N+](=O)[O-] ZINC000785801484 699102647 /nfs/dbraw/zinc/10/26/47/699102647.db2.gz RENPUGLXZAKPHK-UWVGGRQHSA-N 1 0 310.329 1.591 20 5 DDBDRO COC(=O)[C@H]1CC[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)[C@H]1C ZINC000787237360 699198865 /nfs/dbraw/zinc/19/88/65/699198865.db2.gz FTZVOTUFUCVZTN-GWCFXTLKSA-N 1 0 318.333 1.785 20 5 DDBDRO C[NH+](C)C[C@H](O)CNc1ccc(Br)cc1[N+](=O)[O-] ZINC000717402219 699289056 /nfs/dbraw/zinc/28/90/56/699289056.db2.gz QKPAFNRHPXFDRY-SECBINFHSA-N 1 0 318.171 1.692 20 5 DDBDRO C[NH+](C)CCCNC(=S)NNc1cccc(F)c1[N+](=O)[O-] ZINC000790610066 699469215 /nfs/dbraw/zinc/46/92/15/699469215.db2.gz VVWDBPKWDKIDPV-UHFFFAOYSA-N 1 0 315.374 1.477 20 5 DDBDRO C/C(=C\C(=O)NC[C@]1(O)CC[N@@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000762721748 700904931 /nfs/dbraw/zinc/90/49/31/700904931.db2.gz NKJAXMPIXPXARU-ONOODXEBSA-N 1 0 319.361 1.181 20 5 DDBDRO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[C@@H](C)CN1C ZINC000768845677 701209274 /nfs/dbraw/zinc/20/92/74/701209274.db2.gz MWOLEGWUPHMAAY-ZJUUUORDSA-N 1 0 322.321 1.668 20 5 DDBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000804777732 701211947 /nfs/dbraw/zinc/21/19/47/701211947.db2.gz JTROREGUPRYRME-LBPRGKRZSA-N 1 0 306.366 1.781 20 5 DDBDRO C[NH+]1CCC2(CCN(c3ccc(N)c([N+](=O)[O-])n3)CC2)CC1 ZINC000866054853 706605790 /nfs/dbraw/zinc/60/57/90/706605790.db2.gz JVGGBDLMSICXTO-UHFFFAOYSA-N 1 0 305.382 1.884 20 5 DDBDRO O=C(NC[C@@H]1CCC[N@@H+]1CC1CCCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839669761 701774937 /nfs/dbraw/zinc/77/49/37/701774937.db2.gz DUIBIMZAIFGEDH-RRFJBIMHSA-N 1 0 309.410 1.813 20 5 DDBDRO COc1ccc(C(=O)N2C[C@@H]3C[N@@H+](C)CC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000812336877 702160264 /nfs/dbraw/zinc/16/02/64/702160264.db2.gz AJQJSNPCSLCXKY-OLZOCXBDSA-N 1 0 319.361 1.627 20 5 DDBDRO CN1CC[NH+](C2CCN(c3cc(N)ccc3[N+](=O)[O-])CC2)CC1 ZINC000866213820 706651149 /nfs/dbraw/zinc/65/11/49/706651149.db2.gz ZRZNDXSTTMHVRU-UHFFFAOYSA-N 1 0 319.409 1.393 20 5 DDBDRO C[N@@H+]1C[C@H]2CCN(C(=O)COc3ccc([N+](=O)[O-])c(F)c3)[C@H]2C1 ZINC000816950100 702233917 /nfs/dbraw/zinc/23/39/17/702233917.db2.gz LVEWAWGJOSJTTG-YGRLFVJLSA-N 1 0 323.324 1.275 20 5 DDBDRO CN(C[C@H](O)C[NH3+])C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000841011397 702309925 /nfs/dbraw/zinc/30/99/25/702309925.db2.gz PRIDMFORKHKJEW-MRVPVSSYSA-N 1 0 302.718 1.032 20 5 DDBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)[C@@]1(F)CC[NH2+]C1 ZINC000831218082 706660540 /nfs/dbraw/zinc/66/05/40/706660540.db2.gz SSLNKLHDSIUVNQ-GFCCVEGCSA-N 1 0 301.705 1.566 20 5 DDBDRO CC(C)([NH3+])CNC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000841188512 702383210 /nfs/dbraw/zinc/38/32/10/702383210.db2.gz QRHPNXSPOLXFAF-UHFFFAOYSA-N 1 0 314.729 1.040 20 5 DDBDRO Cc1n[nH]c(CC[NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])n1 ZINC000866336479 706676326 /nfs/dbraw/zinc/67/63/26/706676326.db2.gz JXKKZLTYCYYCPA-VIFPVBQESA-N 1 0 307.329 1.924 20 5 DDBDRO Cc1c(C(=O)N(C)CCC[NH3+])cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000818523013 702658596 /nfs/dbraw/zinc/65/85/96/702658596.db2.gz WGQLFGAGABDBGR-UHFFFAOYSA-N 1 0 310.310 1.541 20 5 DDBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H]1COCCN1C ZINC000866398385 706689339 /nfs/dbraw/zinc/68/93/39/706689339.db2.gz ODOVGCXHSYRORB-RISCZKNCSA-N 1 0 311.357 1.585 20 5 DDBDRO C[NH2+]CCCN(C)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000842477184 702725650 /nfs/dbraw/zinc/72/56/50/702725650.db2.gz NMKPWPUETJRXEI-UHFFFAOYSA-N 1 0 314.773 1.728 20 5 DDBDRO C[NH2+][C@@H](C)Cc1noc(-c2cc3nsnc3c([N+](=O)[O-])c2)n1 ZINC000842634181 702746791 /nfs/dbraw/zinc/74/67/91/702746791.db2.gz BHHVHEYYCNTRKS-LURJTMIESA-N 1 0 320.334 1.800 20 5 DDBDRO C[NH2+][C@@H]1CCN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000842684340 702756062 /nfs/dbraw/zinc/75/60/62/702756062.db2.gz ZZTDCPJVOLHTFF-SECBINFHSA-N 1 0 319.770 1.231 20 5 DDBDRO Cc1cc(S(=O)(=O)N[C@@H](C)CCC[NH3+])cc([N+](=O)[O-])c1F ZINC000842877578 702786309 /nfs/dbraw/zinc/78/63/09/702786309.db2.gz FINOMAMOBQKAEW-VIFPVBQESA-N 1 0 319.358 1.448 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@@H](O)COCC2CC2)c1 ZINC000843068200 702812761 /nfs/dbraw/zinc/81/27/61/702812761.db2.gz LAZJXAYWBFJVEE-CABCVRRESA-N 1 0 310.350 1.005 20 5 DDBDRO O=[N+]([O-])c1ccc(Cc2noc(CC3CC[NH2+]CC3)n2)nc1 ZINC000843191983 702838235 /nfs/dbraw/zinc/83/82/35/702838235.db2.gz PWDGZWFPALPURU-UHFFFAOYSA-N 1 0 303.322 1.506 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000843463934 702887757 /nfs/dbraw/zinc/88/77/57/702887757.db2.gz KHOWYKIOBNBEPJ-GZMMTYOYSA-N 1 0 322.321 1.539 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000843483229 702890593 /nfs/dbraw/zinc/89/05/93/702890593.db2.gz GUUKKILIJWUQGA-JTQLQIEISA-N 1 0 316.308 1.373 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1-c1noc([C@@H]2CC[C@H](C3CC3)[NH2+]2)n1 ZINC000844917644 703084833 /nfs/dbraw/zinc/08/48/33/703084833.db2.gz UUAURHADQRRFLL-BDAKNGLRSA-N 1 0 304.310 1.581 20 5 DDBDRO CN(CC[NH+]1CCCCC1)C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000846615163 703303920 /nfs/dbraw/zinc/30/39/20/703303920.db2.gz XPLICYLUBGZPHD-UHFFFAOYSA-N 1 0 324.356 1.874 20 5 DDBDRO Cc1cc(C(=O)N2CC3CCC2(C[NH3+])CC3)c(N)c([N+](=O)[O-])c1 ZINC000846680287 703315539 /nfs/dbraw/zinc/31/55/39/703315539.db2.gz GEXOBHPXTXOQTI-UHFFFAOYSA-N 1 0 318.377 1.829 20 5 DDBDRO CCO[C@@H](CNC(=O)c1c(C)ccc([N+](=O)[O-])c1C)C[NH+](C)C ZINC000831694976 706754926 /nfs/dbraw/zinc/75/49/26/706754926.db2.gz JRJZLPDVNCBIHA-ZDUSSCGKSA-N 1 0 323.393 1.908 20 5 DDBDRO CCO[C@H](CNC(=O)c1cc(F)ccc1[N+](=O)[O-])C[NH+](C)C ZINC000831758015 706773107 /nfs/dbraw/zinc/77/31/07/706773107.db2.gz UGDYRCQEQIPQJU-LLVKDONJSA-N 1 0 313.329 1.430 20 5 DDBDRO Cc1c(C(=O)NC(C)(C)C[NH3+])cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000818544254 703923135 /nfs/dbraw/zinc/92/31/35/703923135.db2.gz BSXUPOUCZJDWOX-UHFFFAOYSA-N 1 0 310.310 1.587 20 5 DDBDRO CC[NH2+][C@H](C)CNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000818582496 703930850 /nfs/dbraw/zinc/93/08/50/703930850.db2.gz ZCZFWORWWOQUCL-SNVBAGLBSA-N 1 0 305.338 1.059 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCN2CCSCC2)c1 ZINC000819054594 704060651 /nfs/dbraw/zinc/06/06/51/704060651.db2.gz QGKYLDOOPZLDAR-CQSZACIVSA-N 1 0 311.407 1.267 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@](O)(C3CC3)C2)c1 ZINC000852500984 704064353 /nfs/dbraw/zinc/06/43/53/704064353.db2.gz HFWBVBZQQYVKLA-HZPDHXFCSA-N 1 0 306.362 1.865 20 5 DDBDRO CC(C)OC(=O)[C@@H](C)C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819116498 704071790 /nfs/dbraw/zinc/07/17/90/704071790.db2.gz SDABQQGFFGJMNM-SMDDNHRTSA-N 1 0 310.350 1.806 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H]2CCc3n[nH]cc3C2)cc1 ZINC000819169584 704080372 /nfs/dbraw/zinc/08/03/72/704080372.db2.gz MWNURDVIHNJDRT-IUODEOHRSA-N 1 0 302.334 1.498 20 5 DDBDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000819285504 704100749 /nfs/dbraw/zinc/10/07/49/704100749.db2.gz GZHRWZOAOJXYOP-VNHYZAJKSA-N 1 0 322.361 1.950 20 5 DDBDRO COc1cc(N2CC[NH+](CCCCO)CC2)c([N+](=O)[O-])cc1C ZINC000853373064 704237278 /nfs/dbraw/zinc/23/72/78/704237278.db2.gz JRXCANQIDPULFX-UHFFFAOYSA-N 1 0 323.393 1.806 20 5 DDBDRO C[NH+](C)C1(C)CCC(NC(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000871357775 704274364 /nfs/dbraw/zinc/27/43/64/704274364.db2.gz UAWMOFUQDMYFLV-UHFFFAOYSA-N 1 0 323.397 1.561 20 5 DDBDRO C[C@@H](CCNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2)[NH+](C)C ZINC000853798150 704316718 /nfs/dbraw/zinc/31/67/18/704316718.db2.gz CLFAMSRXWZVPRI-VIFPVBQESA-N 1 0 308.338 1.678 20 5 DDBDRO CCN(C(=O)c1cc([N+](=O)[O-])c(F)cc1N)[C@@H]1CC[N@H+](C)C1 ZINC000855360481 704480974 /nfs/dbraw/zinc/48/09/74/704480974.db2.gz LYIQVGCUCRLZCY-SECBINFHSA-N 1 0 310.329 1.482 20 5 DDBDRO [NH3+][C@]12CCC[C@H]1CN(C(=O)COc1ccc([N+](=O)[O-])c(F)c1)C2 ZINC000857008295 704546919 /nfs/dbraw/zinc/54/69/19/704546919.db2.gz GNJYMWVOMNSFKA-BONVTDFDSA-N 1 0 323.324 1.453 20 5 DDBDRO CC(C)[C@@H]([NH3+])CNC(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857765578 704622268 /nfs/dbraw/zinc/62/22/68/704622268.db2.gz RJNZTLJVYADYRU-NSHDSACASA-N 1 0 317.292 1.666 20 5 DDBDRO C[C@H]1CC[C@@H](NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C[NH2+]1 ZINC000858631449 704737405 /nfs/dbraw/zinc/73/74/05/704737405.db2.gz DJMSRZVCLGMAQN-DTWKUNHWSA-N 1 0 317.342 1.153 20 5 DDBDRO Cc1cc(S(=O)(=O)N(C)C[C@H](C)[NH3+])cc([N+](=O)[O-])c1F ZINC000858642979 704738863 /nfs/dbraw/zinc/73/88/63/704738863.db2.gz STFGWAQHVLNPSY-QMMMGPOBSA-N 1 0 305.331 1.010 20 5 DDBDRO Cc1cc(S(=O)(=O)N(C)C[C@@H](C)[NH3+])cc([N+](=O)[O-])c1F ZINC000858642978 704738906 /nfs/dbraw/zinc/73/89/06/704738906.db2.gz STFGWAQHVLNPSY-MRVPVSSYSA-N 1 0 305.331 1.010 20 5 DDBDRO CC[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)[C@H]1CCCOC1 ZINC000880468310 706983642 /nfs/dbraw/zinc/98/36/42/706983642.db2.gz CZJRPFFBUYWIKS-JSGCOSHPSA-N 1 0 309.366 1.551 20 5 DDBDRO CN(C)c1ncc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)n1C ZINC000822481209 704957493 /nfs/dbraw/zinc/95/74/93/704957493.db2.gz MNUGKWATKFBRLR-UHFFFAOYSA-N 1 0 318.381 1.360 20 5 DDBDRO COC[C@]1(c2nc(-c3ccc([N+](=O)[O-])cc3C)no2)CC[NH2+]C1 ZINC000822808013 705045820 /nfs/dbraw/zinc/04/58/20/705045820.db2.gz NVORLQOWXNVMEH-HNNXBMFYSA-N 1 0 318.333 1.831 20 5 DDBDRO O=[N+]([O-])c1ccc(Cc2noc([C@H]3C[C@@]34CC[NH2+]C4)n2)nc1 ZINC000822862198 705063229 /nfs/dbraw/zinc/06/32/29/705063229.db2.gz ILPPFYHVCITXAH-BXUZGUMPSA-N 1 0 301.306 1.431 20 5 DDBDRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000874850083 705203263 /nfs/dbraw/zinc/20/32/63/705203263.db2.gz NUJBKPZLAIGDOE-CHWSQXEVSA-N 1 0 304.350 1.486 20 5 DDBDRO COCC[N@@H+]1CCC[C@H]1COC(=O)c1cccc([N+](=O)[O-])c1 ZINC000861033845 705353747 /nfs/dbraw/zinc/35/37/47/705353747.db2.gz VJQYAPQCDXCXAE-AWEZNQCLSA-N 1 0 308.334 1.862 20 5 DDBDRO C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000876613053 705784554 /nfs/dbraw/zinc/78/45/54/705784554.db2.gz HEGILEJJHNPIHP-MZSZDEQASA-N 1 0 303.362 1.665 20 5 DDBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H](N)C[NH+](C)C ZINC000876615415 705784949 /nfs/dbraw/zinc/78/49/49/705784949.db2.gz DXGXCOKVNAWQSY-AWEZNQCLSA-N 1 0 308.382 1.221 20 5 DDBDRO Cc1nn(C[N@@H+](C)[C@H]2C[C@@H](C(N)=O)C2)c2ccc([N+](=O)[O-])cc12 ZINC000863322856 705901645 /nfs/dbraw/zinc/90/16/45/705901645.db2.gz RVKFRQWTGPESIL-KLPPZKSPSA-N 1 0 317.349 1.406 20 5 DDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@H](O)c3ccc(F)cc3)C2)c1 ZINC000876880447 705905300 /nfs/dbraw/zinc/90/53/00/705905300.db2.gz JLIQTAIITMMOAZ-PIMMBPRGSA-N 1 0 320.324 1.957 20 5 DDBDRO C[C@@H]1SCC[C@@H]1NC(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000876944611 705933098 /nfs/dbraw/zinc/93/30/98/705933098.db2.gz RXDKIXMZYXSOGS-DUFXMDAXSA-N 1 0 309.391 1.779 20 5 DDBDRO CNc1nccc(C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000827252911 705960390 /nfs/dbraw/zinc/96/03/90/705960390.db2.gz ALTDZYPUZWNRQK-CMPLNLGQSA-N 1 0 319.365 1.198 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000827328343 705976385 /nfs/dbraw/zinc/97/63/85/705976385.db2.gz DWTPPJCEGZMBLM-OLZOCXBDSA-N 1 0 321.381 1.042 20 5 DDBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCS(=O)(=O)CC2CC2)cc1 ZINC000877110232 705986507 /nfs/dbraw/zinc/98/65/07/705986507.db2.gz NNDFJZLFKMHSTD-UHFFFAOYSA-N 1 0 312.391 1.552 20 5 DDBDRO Cc1cccc(NCC[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)n1 ZINC000877157999 706001693 /nfs/dbraw/zinc/00/16/93/706001693.db2.gz NQNFXCCAVNLVDZ-UHFFFAOYSA-N 1 0 316.365 1.900 20 5 DDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@@H]3Cc4cccc(O)c4C3)C2)c1 ZINC000877476692 706117695 /nfs/dbraw/zinc/11/76/95/706117695.db2.gz KNOYTSPWWMFWBB-PNESKVBLSA-N 1 0 314.345 1.957 20 5 DDBDRO COC[C@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)[C@H]1CCCO1 ZINC000877490210 706121881 /nfs/dbraw/zinc/12/18/81/706121881.db2.gz UPYPVQPYJJKFKT-DZYMPVBWSA-N 1 0 310.354 1.278 20 5 DDBDRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000864616158 706214098 /nfs/dbraw/zinc/21/40/98/706214098.db2.gz LQTFEGCTXPKXNF-RKDXNWHRSA-N 1 0 315.276 1.515 20 5 DDBDRO CC(C)[C@@H](O)CC[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000877918633 706240892 /nfs/dbraw/zinc/24/08/92/706240892.db2.gz UJCOGMLPIIVXPN-AWEZNQCLSA-N 1 0 308.382 1.519 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+]C(C)(C)C(=O)N1CCCC1 ZINC000878543955 706422215 /nfs/dbraw/zinc/42/22/15/706422215.db2.gz KNDGDKBUGHYCEH-UHFFFAOYSA-N 1 0 309.370 1.090 20 5 DDBDRO O=c1c2c(ncn1Cc1ccc([N+](=O)[O-])c(F)c1)CC[NH2+]CC2 ZINC000830518451 706529593 /nfs/dbraw/zinc/52/95/93/706529593.db2.gz VSWLQVAMCAIXGK-UHFFFAOYSA-N 1 0 318.308 1.027 20 5 DDBDRO O=[N+]([O-])c1cc(CO)c(NCC[NH+]2CCC(O)CC2)cc1F ZINC000865861245 706546148 /nfs/dbraw/zinc/54/61/48/706546148.db2.gz MGAWFOBVGOEKSR-UHFFFAOYSA-N 1 0 313.329 1.095 20 5 DDBDRO CC(C)(O)C[N@@H+]1CC[C@H](Nc2nc3ccccn3c2[N+](=O)[O-])C1 ZINC000865998977 706589846 /nfs/dbraw/zinc/58/98/46/706589846.db2.gz GKDMNOTVYCJWHU-NSHDSACASA-N 1 0 319.365 1.500 20 5 DDBDRO COC(=O)[C@]12CCC[C@H]1[N@H+](CCn1cc([N+](=O)[O-])cn1)CC2 ZINC000880181262 706903339 /nfs/dbraw/zinc/90/33/39/706903339.db2.gz TWWHOPVKYWGBLM-OCCSQVGLSA-N 1 0 308.338 1.209 20 5 DDBDRO C[C@H]([NH3+])[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CCO1 ZINC000834322273 707030483 /nfs/dbraw/zinc/03/04/83/707030483.db2.gz QLWXHBXKMBTBOL-UFBFGSQYSA-N 1 0 313.741 1.436 20 5 DDBDRO O=[N+]([O-])c1ccc(Cn2cc(C[C@@H]3CC[NH2+]C3)nn2)cc1F ZINC000881213595 707155568 /nfs/dbraw/zinc/15/55/68/707155568.db2.gz QIEAOLCADJBTPV-JTQLQIEISA-N 1 0 305.313 1.526 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000871673825 707164699 /nfs/dbraw/zinc/16/46/99/707164699.db2.gz OTGOLFWAGGOEOH-CBAPKCEASA-N 1 0 320.271 1.143 20 5 DDBDRO CC[C@H](C)[NH+]1CCN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000837006307 707563301 /nfs/dbraw/zinc/56/33/01/707563301.db2.gz DCSRDGNOUXDCDR-WFASDCNBSA-N 1 0 321.377 1.571 20 5 DDBDRO Cc1cc(N2C[C@@H]3CCC[N@@H+]3C[C@@H]2CO)c(F)cc1[N+](=O)[O-] ZINC000872757857 707587308 /nfs/dbraw/zinc/58/73/08/707587308.db2.gz MZSGXWMZYRYHFO-NWDGAFQWSA-N 1 0 309.341 1.688 20 5 DDBDRO CC1(C)CCC[N@@H+]1CCNC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000837178386 707592276 /nfs/dbraw/zinc/59/22/76/707592276.db2.gz ZWYDMHKEGDTTQS-UHFFFAOYSA-N 1 0 306.366 1.781 20 5 DDBDRO Cc1c(C[NH2+]CC2(S(C)(=O)=O)CCC2)cccc1[N+](=O)[O-] ZINC000873118619 707737898 /nfs/dbraw/zinc/73/78/98/707737898.db2.gz OCINVSGJAQOMDD-UHFFFAOYSA-N 1 0 312.391 1.960 20 5 DDBDRO CC[N@@H+]1CC[C@H]1CNC(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000883598519 708034675 /nfs/dbraw/zinc/03/46/75/708034675.db2.gz JNDRGSAELUHLSG-ZDUSSCGKSA-N 1 0 306.366 1.797 20 5 DDBDRO C[NH+](C)CCCOC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000912593056 713041054 /nfs/dbraw/zinc/04/10/54/713041054.db2.gz VOJFHMXMEDDOSF-UHFFFAOYSA-N 1 0 318.333 1.889 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@@H]([NH+](C)C)C12CCC2 ZINC000912600346 713042625 /nfs/dbraw/zinc/04/26/25/713042625.db2.gz OZVIUWSFNXDKOV-QWHCGFSZSA-N 1 0 306.366 1.536 20 5 DDBDRO O=[N+]([O-])c1ncccc1CN1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000886034772 708685832 /nfs/dbraw/zinc/68/58/32/708685832.db2.gz FYJWGAZOFFQQCA-CYBMUJFWSA-N 1 0 306.366 1.144 20 5 DDBDRO COc1ccc(NC(=O)CC[N@@H+]2C[C@@H]3C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000886340010 708745741 /nfs/dbraw/zinc/74/57/41/708745741.db2.gz ABHHQHLSXGYARC-PHIMTYICSA-N 1 0 305.334 1.884 20 5 DDBDRO O=[N+]([O-])c1ncccc1CN1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000886841462 708859489 /nfs/dbraw/zinc/85/94/89/708859489.db2.gz LZMBQHXOGYGZLQ-HNNXBMFYSA-N 1 0 320.393 1.580 20 5 DDBDRO CCN(CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@@H]1CC[NH2+]C1 ZINC000886854293 708865160 /nfs/dbraw/zinc/86/51/60/708865160.db2.gz IPQMJRARKVREEC-CQSZACIVSA-N 1 0 318.377 1.168 20 5 DDBDRO C[N@@H+]1C[C@@H]2CN(C(=O)Cc3ccc(F)cc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000887924457 709165153 /nfs/dbraw/zinc/16/51/53/709165153.db2.gz LQJLTKJLGMWHBP-WBMJQRKESA-N 1 0 321.352 1.687 20 5 DDBDRO C[NH+]1CCC2(CCN2C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1 ZINC000889222997 709464080 /nfs/dbraw/zinc/46/40/80/709464080.db2.gz IYSCXXNHGBCSQB-UHFFFAOYSA-N 1 0 322.340 1.626 20 5 DDBDRO CC[N@@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])cnc2C)[C@H](C)C1 ZINC000910291686 709870900 /nfs/dbraw/zinc/87/09/00/709870900.db2.gz DUHQUBQGQZAVEW-LLVKDONJSA-N 1 0 306.366 1.855 20 5 DDBDRO CC[N@@H+]1CCCN(C(=O)COc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000910296676 709874362 /nfs/dbraw/zinc/87/43/62/709874362.db2.gz ODCXGZFXUTUIRD-CYBMUJFWSA-N 1 0 321.377 1.916 20 5 DDBDRO C[NH+]1CCC(OCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000901520744 710064702 /nfs/dbraw/zinc/06/47/02/710064702.db2.gz RXONJUAHOXRSSJ-UHFFFAOYSA-N 1 0 311.313 1.783 20 5 DDBDRO C[C@@H](NC(=O)[C@@H]1C[N@@H+]2CCN1CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000928249272 713157342 /nfs/dbraw/zinc/15/73/42/713157342.db2.gz RFGYLYCKLAEGKR-DOMZBBRYSA-N 1 0 318.377 1.162 20 5 DDBDRO Cc1ccc(CNC(=O)NCCC[NH2+]C2CC2)cc1[N+](=O)[O-] ZINC000891968428 710342400 /nfs/dbraw/zinc/34/24/00/710342400.db2.gz TUHWJINBTJYRBS-UHFFFAOYSA-N 1 0 306.366 1.845 20 5 DDBDRO C[N@@H+]1C[C@H]2CCN(C(=O)NCc3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000892418665 710434244 /nfs/dbraw/zinc/43/42/44/710434244.db2.gz RZWLIUXWTUALKB-TZMCWYRMSA-N 1 0 304.350 1.440 20 5 DDBDRO Cc1ccc(CNC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)cc1[N+](=O)[O-] ZINC000892537107 710454062 /nfs/dbraw/zinc/45/40/62/710454062.db2.gz OHQQYJDSDDVZEA-BETUJISGSA-N 1 0 304.350 1.264 20 5 DDBDRO CCOc1ccc(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000928452605 713203687 /nfs/dbraw/zinc/20/36/87/713203687.db2.gz NFAFISGKRFEFLQ-PWSUYJOCSA-N 1 0 307.350 1.816 20 5 DDBDRO COc1cc([C@H](C)[NH2+]C[C@@H]2CN(C)CCN2C)cc([N+](=O)[O-])c1 ZINC000903091853 711029744 /nfs/dbraw/zinc/02/97/44/711029744.db2.gz BMJJVKYGMXKSJU-SWLSCSKDSA-N 1 0 322.409 1.500 20 5 DDBDRO Cc1c(C(=O)N(CCO)C2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000911936444 711076600 /nfs/dbraw/zinc/07/66/00/711076600.db2.gz AGQWPBPJQHORRF-UHFFFAOYSA-N 1 0 321.377 1.432 20 5 DDBDRO CN1CC[C@@H]1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000903321937 711096116 /nfs/dbraw/zinc/09/61/16/711096116.db2.gz KBEIQCVHFJZLNO-MRXNPFEDSA-N 1 0 304.394 1.857 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000894436809 711120110 /nfs/dbraw/zinc/12/01/10/711120110.db2.gz ULXFDDMFHHWNIF-GFCCVEGCSA-N 1 0 309.370 1.019 20 5 DDBDRO COc1ccc(CN(C)C2(C[NH3+])CCOCC2)cc1[N+](=O)[O-] ZINC000903807705 711287228 /nfs/dbraw/zinc/28/72/28/711287228.db2.gz PWKOYBPISBCJDP-UHFFFAOYSA-N 1 0 309.366 1.543 20 5 DDBDRO [NH3+][C@@H](CC(F)F)CN1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000903872856 711311159 /nfs/dbraw/zinc/31/11/59/711311159.db2.gz KGSDMJHTYNOKNE-NSHDSACASA-N 1 0 314.336 1.699 20 5 DDBDRO CON(C)C(=O)C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000895043258 711382746 /nfs/dbraw/zinc/38/27/46/711382746.db2.gz UALOTWZNQMWJCC-OCCSQVGLSA-N 1 0 321.377 1.915 20 5 DDBDRO C[C@H]1CN(c2c([N+](=O)[O-])cnn2C)CCN1c1cc[nH+]cc1 ZINC000895138114 711429659 /nfs/dbraw/zinc/42/96/59/711429659.db2.gz VCAVBNMODZOSIH-NSHDSACASA-N 1 0 302.338 1.438 20 5 DDBDRO C[C@@H](Nc1c(Cl)cncc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCN1C ZINC000895248269 711465024 /nfs/dbraw/zinc/46/50/24/711465024.db2.gz ZPOXDGLMTYDWIL-SKDRFNHKSA-N 1 0 313.789 1.111 20 5 DDBDRO C[C@H]1[C@H](Nc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000895737533 711590881 /nfs/dbraw/zinc/59/08/81/711590881.db2.gz AZFLAUXCEGRXHF-GXFFZTMASA-N 1 0 318.377 1.992 20 5 DDBDRO O=C(NCC[NH2+]CC[N+](=O)[O-])c1ccc(Br)cc1 ZINC000905058724 711923076 /nfs/dbraw/zinc/92/30/76/711923076.db2.gz IXPOEYHXCHLCTR-UHFFFAOYSA-N 1 0 316.155 1.045 20 5 DDBDRO O=[N+]([O-])c1ccccc1CC[NH2+]C[C@@H](O)CC1(O)CCCC1 ZINC000905132927 711946743 /nfs/dbraw/zinc/94/67/43/711946743.db2.gz CKZWUVUYKAMGGM-AWEZNQCLSA-N 1 0 308.378 1.783 20 5 DDBDRO CC1(C)C[C@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCS1 ZINC000905662448 712110517 /nfs/dbraw/zinc/11/05/17/712110517.db2.gz JNMHYRZBIMIJBJ-PWSUYJOCSA-N 1 0 314.411 1.416 20 5 DDBDRO CC1(C)CCN(CC[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000905680497 712116341 /nfs/dbraw/zinc/11/63/41/712116341.db2.gz XATSKXFJMVAODL-OAHLLOKOSA-N 1 0 307.394 1.950 20 5 DDBDRO CC1(C)C[C@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CO1 ZINC000905698017 712122860 /nfs/dbraw/zinc/12/28/60/712122860.db2.gz DPMQNCILNMCITB-WCQYABFASA-N 1 0 310.350 1.492 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1Cn1cc(C[NH2+]C(C)C)nn1 ZINC000905807148 712151436 /nfs/dbraw/zinc/15/14/36/712151436.db2.gz IMOMVAWSNSAHHP-UHFFFAOYSA-N 1 0 305.338 1.741 20 5 DDBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000906634114 712374728 /nfs/dbraw/zinc/37/47/28/712374728.db2.gz NVHGNRPXGPOVGH-GHMZBOCLSA-N 1 0 321.402 1.998 20 5 DDBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC000908123564 712693362 /nfs/dbraw/zinc/69/33/62/712693362.db2.gz CUROJBWGSDJAMX-XJKSGUPXSA-N 1 0 321.377 1.051 20 5 DDBDRO CC[NH+]1CCC(NC(=O)COc2cccc(C)c2[N+](=O)[O-])CC1 ZINC000915664640 713426808 /nfs/dbraw/zinc/42/68/08/713426808.db2.gz VABFZISEPFAFJP-UHFFFAOYSA-N 1 0 321.377 1.883 20 5 DDBDRO C[N@@H+]1CCC[C@H]1Cn1nc(-c2ccccc2[N+](=O)[O-])oc1=O ZINC000917605647 713506457 /nfs/dbraw/zinc/50/64/57/713506457.db2.gz IDPRGSNBKIORPI-JTQLQIEISA-N 1 0 304.306 1.506 20 5 DDBDRO C[N@H+](CCNC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000930651589 713887479 /nfs/dbraw/zinc/88/74/79/713887479.db2.gz YVXJTMNOYPWJIS-HUUCEWRRSA-N 1 0 303.362 1.909 20 5 DDBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000931045450 713989747 /nfs/dbraw/zinc/98/97/47/713989747.db2.gz QEKQCIWXRVVCOX-IUODEOHRSA-N 1 0 320.393 1.582 20 5 DDBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@@H]([NH+](C)C)[C@@H]1C ZINC000931045738 713990061 /nfs/dbraw/zinc/99/00/61/713990061.db2.gz QVLOAFYQGBLVMW-OUCADQQQSA-N 1 0 320.393 1.946 20 5 DDBDRO CC[C@@H](CN1CCOCC1)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000922593377 714096181 /nfs/dbraw/zinc/09/61/81/714096181.db2.gz ZXWZECVOIGBEPA-ZDUSSCGKSA-N 1 0 311.357 1.934 20 5 DDBDRO Cc1ccc(C[NH2+][C@@H]2C[C@H](O)C23CCOCC3)cc1[N+](=O)[O-] ZINC000923022776 714216834 /nfs/dbraw/zinc/21/68/34/714216834.db2.gz CXJUDRARYBGKEM-CABCVRRESA-N 1 0 306.362 1.923 20 5 DDBDRO O=[N+]([O-])c1ccccc1CN(C[C@H]1CC2(C[NH2+]C2)CO1)C1CC1 ZINC000923370248 714331053 /nfs/dbraw/zinc/33/10/53/714331053.db2.gz TZSWYTDVSJSOBZ-OAHLLOKOSA-N 1 0 317.389 1.938 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H]1COC[C@@H]1C ZINC000932494016 714346120 /nfs/dbraw/zinc/34/61/20/714346120.db2.gz GNODHOXIPDUMEZ-FZMZJTMJSA-N 1 0 307.350 1.856 20 5 DDBDRO CC[NH+]1CCC(CCNC(=O)Cn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000933544055 714613564 /nfs/dbraw/zinc/61/35/64/714613564.db2.gz MMVJZAMPUCPWLS-UHFFFAOYSA-N 1 0 323.397 1.338 20 5 DDBDRO CN1CCN(Cc2c(F)cccc2[N+](=O)[O-])CC[N@H+](C)CC1 ZINC000933997465 714718897 /nfs/dbraw/zinc/71/88/97/714718897.db2.gz WBXNRLIRTQCERK-UHFFFAOYSA-N 1 0 310.373 1.413 20 5 DDBDRO CO[C@@H]1CC[C@@H]1[N@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000934131121 714751393 /nfs/dbraw/zinc/75/13/93/714751393.db2.gz KBRRFIBMVMTPOZ-VHDGCEQUSA-N 1 0 310.350 1.444 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000934192859 714764374 /nfs/dbraw/zinc/76/43/74/714764374.db2.gz CUSONVGADMSGSS-NEPJUHHUSA-N 1 0 309.370 1.089 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000935388652 715043601 /nfs/dbraw/zinc/04/36/01/715043601.db2.gz OYBJOYVCWJKGTM-UHFFFAOYSA-N 1 0 323.397 1.338 20 5 DDBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc(CC[C@H]2COCC[NH2+]2)n1 ZINC001212189462 744339468 /nfs/dbraw/zinc/33/94/68/744339468.db2.gz FYPDXTHRAULGOZ-VIFPVBQESA-N 1 0 323.284 1.100 20 5 DDBDRO [NH3+]CC[C@H]1CCN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])C1 ZINC001122297310 745348048 /nfs/dbraw/zinc/34/80/48/745348048.db2.gz YALUYXSEUUQFCJ-NSHDSACASA-N 1 0 309.341 1.864 20 5 DDBDRO CNc1ccc(C(=O)N(C)CC2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC001122476353 745502011 /nfs/dbraw/zinc/50/20/11/745502011.db2.gz XEQMVJVZMLJQFP-UHFFFAOYSA-N 1 0 306.366 1.708 20 5 DDBDRO CNC(=O)N[C@H]1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC001197748166 747257290 /nfs/dbraw/zinc/25/72/90/747257290.db2.gz FUHOXDCGGBAONO-LBPRGKRZSA-N 1 0 322.365 1.367 20 5 DDBDRO CC[NH+](CC)CC(=O)NC/C=C/CNc1ncccc1[N+](=O)[O-] ZINC001107204107 749585878 /nfs/dbraw/zinc/58/58/78/749585878.db2.gz JKCIXWBABFSIOU-AATRIKPKSA-N 1 0 321.381 1.416 20 5 DDBDRO Cc1cc(N(C)CCNC(=O)CC[NH+](C)C)ccc1[N+](=O)[O-] ZINC001100299761 750049560 /nfs/dbraw/zinc/04/95/60/750049560.db2.gz WPIHAEFPLGLVBT-UHFFFAOYSA-N 1 0 308.382 1.407 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N(CC[NH3+])c2cccnc2)c1 ZINC001168837414 762064307 /nfs/dbraw/zinc/06/43/07/762064307.db2.gz HWSYCFXWZGFPQU-UHFFFAOYSA-N 1 0 316.317 1.873 20 5 DDBDRO CCOC(=O)c1cccc(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)n1 ZINC001168979874 762148716 /nfs/dbraw/zinc/14/87/16/762148716.db2.gz BSKSXPPPUDGBBY-NWDGAFQWSA-N 1 0 307.350 1.793 20 5 DDBDRO C[C@@H](C[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)NC(=O)OC(C)(C)C ZINC001168963198 762157516 /nfs/dbraw/zinc/15/75/16/762157516.db2.gz OQFYANNPBRZBQK-SDDRHHMPSA-N 1 0 301.387 1.935 20 5 DDBDRO COc1ccc(OC[C@H](O)C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)cc1 ZINC001168968159 762158263 /nfs/dbraw/zinc/15/82/63/762158263.db2.gz WXDJQQDHYLOUGK-MELADBBJSA-N 1 0 324.377 1.470 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H]2CCCN(c3ccncn3)C2)C1 ZINC001168992396 762166678 /nfs/dbraw/zinc/16/66/78/762166678.db2.gz JQBHTOFYZWLILE-RDBSUJKOSA-N 1 0 305.382 1.480 20 5 DDBDRO N[C@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168986907 762179294 /nfs/dbraw/zinc/17/92/94/762179294.db2.gz FZMZSYHIGDIGKU-YVSFHVDLSA-N 1 0 318.421 1.233 20 5 DDBDRO O=C(NC1CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1)C(F)(F)F ZINC001169036041 762191809 /nfs/dbraw/zinc/19/18/09/762191809.db2.gz MTZWSWTYPZLGGP-ONGXEEELSA-N 1 0 323.315 1.575 20 5 DDBDRO COc1ccnc(N2CC[NH+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)n1 ZINC001169040015 762194654 /nfs/dbraw/zinc/19/46/54/762194654.db2.gz WXZMLUJYUAPJGT-OLZOCXBDSA-N 1 0 321.381 1.053 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCN(Cc3ccccn3)CC2)C1 ZINC001169025320 762203625 /nfs/dbraw/zinc/20/36/25/762203625.db2.gz YPIICSGFOJSZDH-ZBFHGGJFSA-N 1 0 304.394 1.645 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])c(Cl)cc1-n1nncc1C[NH3+] ZINC001169311955 762336094 /nfs/dbraw/zinc/33/60/94/762336094.db2.gz VRPRJLUALIZULO-UHFFFAOYSA-N 1 0 311.685 1.074 20 5 DDBDRO C[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)[C@@H]1C[N@H+](C)CCN1C ZINC000823784947 758361564 /nfs/dbraw/zinc/36/15/64/758361564.db2.gz UIEZYFQHNVDZSL-HZMBPMFUSA-N 1 0 324.356 1.098 20 5 DDBDRO O=[N+]([O-])c1cc2c(cc1NC1CN(c3ncccn3)C1)C[NH2+]C2 ZINC001170133014 765499485 /nfs/dbraw/zinc/49/94/85/765499485.db2.gz UYJQUDSUVCGGAL-UHFFFAOYSA-N 1 0 312.333 1.289 20 5 DDBDRO COCC(COC)[NH2+][C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170304519 766230690 /nfs/dbraw/zinc/23/06/90/766230690.db2.gz DDYWNCHVFVPPCI-NSHDSACASA-N 1 0 312.366 1.785 20 5 DDBDRO COc1ccc(C[C@H](C)[NH2+]C[C@@H]2COCCN2C)c([N+](=O)[O-])c1 ZINC001170305783 766231474 /nfs/dbraw/zinc/23/14/74/766231474.db2.gz PQCWWQRSXLIPPK-GXTWGEPZSA-N 1 0 323.393 1.455 20 5 DDBDRO CCC(CO)(CO)[NH2+][C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170309220 766259393 /nfs/dbraw/zinc/25/93/93/766259393.db2.gz PLRITHFZYYCYAJ-NSHDSACASA-N 1 0 312.366 1.257 20 5 DDBDRO O=C(NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)[C@H]1C[C@H]2C[C@H]2C1 ZINC001132679369 769088694 /nfs/dbraw/zinc/08/86/94/769088694.db2.gz YZPBOSYYKJGMJT-WDNDVIMCSA-N 1 0 303.362 1.847 20 5 DDBDRO Cc1nocc1C(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001133227862 769604398 /nfs/dbraw/zinc/60/43/98/769604398.db2.gz ORKYRHURHVCOHN-UHFFFAOYSA-N 1 0 304.306 1.411 20 5 DDBDRO CC[N@H+](CCNC(=O)c1[nH]nc([N+](=O)[O-])c1Cl)C1CC1 ZINC001136592419 772031536 /nfs/dbraw/zinc/03/15/36/772031536.db2.gz ZBFNCLICAZPSQF-UHFFFAOYSA-N 1 0 301.734 1.185 20 5 DDBDRO COCCC(C)(C)C(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001146223059 772820350 /nfs/dbraw/zinc/82/03/50/772820350.db2.gz SLQDERRDPRXNFW-UHFFFAOYSA-N 1 0 323.393 1.863 20 5 DDBDRO O=C(C[NH+]1CCCC1)NCCNc1ccc(F)cc1[N+](=O)[O-] ZINC001093652248 774951785 /nfs/dbraw/zinc/95/17/85/774951785.db2.gz LVXKIAQQNCVMGS-UHFFFAOYSA-N 1 0 310.329 1.358 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(NCCNC(=O)C2([NH+](C)C)CCC2)c1 ZINC001093926908 775219269 /nfs/dbraw/zinc/21/92/69/775219269.db2.gz QAEORKPXAAWKAJ-UHFFFAOYSA-N 1 0 320.393 1.916 20 5 DDBDRO Cc1cc(NCCNC(=O)CCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC001094094319 775426755 /nfs/dbraw/zinc/42/67/55/775426755.db2.gz PBEVIIYLNZOGTF-UHFFFAOYSA-N 1 0 308.382 1.773 20 5 DDBDRO O=C(C[NH+]1CCCC1)NCCCNc1cccc(F)c1[N+](=O)[O-] ZINC001094434860 775860055 /nfs/dbraw/zinc/86/00/55/775860055.db2.gz VTIVRJDVMDOLHV-UHFFFAOYSA-N 1 0 324.356 1.748 20 5 DDBDRO C[NH+](C)CCOCC(=O)NCCCNc1ccc([N+](=O)[O-])cc1 ZINC001094503608 775938798 /nfs/dbraw/zinc/93/87/98/775938798.db2.gz YZZILTHLJXMUGX-UHFFFAOYSA-N 1 0 324.381 1.091 20 5 DDBDRO CCC[N@H+](C)CC(=O)NCCN(CC)c1ccc([N+](=O)[O-])cn1 ZINC001100576556 776320096 /nfs/dbraw/zinc/32/00/96/776320096.db2.gz ILCPWKXLFBECPV-UHFFFAOYSA-N 1 0 323.397 1.274 20 5 DDBDRO CC(C)(Nc1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-])c1ccncc1 ZINC001171513383 776327145 /nfs/dbraw/zinc/32/71/45/776327145.db2.gz MZKBVFDFWNWULW-UHFFFAOYSA-N 1 0 314.349 1.814 20 5 DDBDRO CN1CCOC[C@H]1C[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172913768 776929174 /nfs/dbraw/zinc/92/91/74/776929174.db2.gz ZEUJIWFDLCWBKR-DOTOQJQBSA-N 1 0 319.405 1.762 20 5 DDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCN([C@H]2CCOC2)CC1 ZINC001173224866 777059523 /nfs/dbraw/zinc/05/95/23/777059523.db2.gz HLLUUNVAUXLRFI-YOEHRIQHSA-N 1 0 319.405 1.932 20 5 DDBDRO C[N@@H+]1C[C@H](NC(=O)CNc2ccccc2[N+](=O)[O-])C(C)(C)C1 ZINC001178709986 779154481 /nfs/dbraw/zinc/15/44/81/779154481.db2.gz UAWOKBKEAMLKOV-ZDUSSCGKSA-N 1 0 306.366 1.463 20 5 DDBDRO C[NH2+]C[C@@H](C)CNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC001118028893 780995510 /nfs/dbraw/zinc/99/55/10/780995510.db2.gz ITPGERDJXXTJMX-SECBINFHSA-N 1 0 314.773 1.903 20 5 DDBDRO [NH3+][C@@H]1CCCC[C@@H]1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC001118081826 781019386 /nfs/dbraw/zinc/01/93/86/781019386.db2.gz GLRRJROEBWEDMJ-UONOGXRCSA-N 1 0 307.350 1.607 20 5 DDBDRO CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC001119450846 781458110 /nfs/dbraw/zinc/45/81/10/781458110.db2.gz YYYKXEORJGUMPI-CQSZACIVSA-N 1 0 320.393 1.996 20 5 DDBDRO Cc1cncc([N+](=O)[O-])c1N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC001119984890 781709041 /nfs/dbraw/zinc/70/90/41/781709041.db2.gz WZNLULNCDVLPPQ-QWHCGFSZSA-N 1 0 306.366 1.334 20 5 DDBDRO COC(=O)[C@H]([NH3+])C1CCN(c2nc(C)cc(C)c2[N+](=O)[O-])CC1 ZINC001155160433 861788894 /nfs/dbraw/zinc/78/88/94/861788894.db2.gz UVVRRAIOZFPCJI-GFCCVEGCSA-N 1 0 322.365 1.323 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)n1 ZINC001128883030 848122292 /nfs/dbraw/zinc/12/22/92/848122292.db2.gz OZWJNJSNJYISAG-OCCSQVGLSA-N 1 0 318.377 1.997 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)n1 ZINC001150120264 862100260 /nfs/dbraw/zinc/10/02/60/862100260.db2.gz UWVZJAYITBMNDV-XPTSAGLGSA-N 1 0 304.350 1.511 20 5 DDBDRO O=[N+]([O-])c1cnc(NCC[C@H]2CCOC23C[NH2+]C3)c(Cl)c1 ZINC001155470387 862122612 /nfs/dbraw/zinc/12/26/12/862122612.db2.gz LFFVAPHWIABSES-VIFPVBQESA-N 1 0 312.757 1.824 20 5 DDBDRO COC(=O)c1cnc(N[C@H]2CC[C@@H]3C[NH2+]C[C@@H]32)c([N+](=O)[O-])c1 ZINC001155583225 862255360 /nfs/dbraw/zinc/25/53/60/862255360.db2.gz HYKJOIDGFCDDPU-MIMYLULJSA-N 1 0 306.322 1.186 20 5 DDBDRO Cc1cc(N(C)CCCNC(=O)CC[NH+](C)C)ncc1[N+](=O)[O-] ZINC001095731928 855175796 /nfs/dbraw/zinc/17/57/96/855175796.db2.gz CMNQQBRAGLGPDI-UHFFFAOYSA-N 1 0 323.397 1.192 20 5 DDBDRO C[NH+](C)CCn1nccc1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000900401070 856470617 /nfs/dbraw/zinc/47/06/17/856470617.db2.gz ALHRLOXXTRMEIT-UHFFFAOYSA-N 1 0 317.349 1.283 20 5 DDBDRO [NH3+][C@H]1CCN(c2ccc(-c3ccc(F)c([N+](=O)[O-])c3)nn2)C1 ZINC001156233103 862844109 /nfs/dbraw/zinc/84/41/09/862844109.db2.gz OCXCJJXJZRRLLF-JTQLQIEISA-N 1 0 303.297 1.728 20 5 DDBDRO O=C([C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC001121932262 858638055 /nfs/dbraw/zinc/63/80/55/858638055.db2.gz WNOJPSLJSCCYCE-INMHGKMJSA-N 1 0 315.373 1.910 20 5 DDBDRO C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)[C@@H](C)C[NH2+]1 ZINC001121931899 858638391 /nfs/dbraw/zinc/63/83/91/858638391.db2.gz TVHKSQRTXKKURK-FDRIWYBQSA-N 1 0 303.362 1.907 20 5 DDBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N1CCC[C@@]12CC[NH2+]C2 ZINC001122411439 858797835 /nfs/dbraw/zinc/79/78/35/858797835.db2.gz JQHINKZHEOXBMK-INIZCTEOSA-N 1 0 319.361 1.718 20 5 DDBDRO [NH3+][C@@H]1CCCC[C@@H]1C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC001325854961 860889874 /nfs/dbraw/zinc/88/98/74/860889874.db2.gz APUFUQDGOXQLGQ-QWHCGFSZSA-N 1 0 321.381 1.472 20 5 DDBDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC001141747792 860927701 /nfs/dbraw/zinc/92/77/01/860927701.db2.gz IWQQCAPIFBBLQD-MNOVXSKESA-N 1 0 306.322 1.052 20 5 DDBDRO [NH3+]CCc1nccn1C(F)(F)c1cc([N+](=O)[O-])cnc1Cl ZINC001156477852 863084894 /nfs/dbraw/zinc/08/48/94/863084894.db2.gz PJNOFVNCKWMVNU-UHFFFAOYSA-N 1 0 317.683 1.939 20 5 DDBDRO [NH3+]CCc1nccn1C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1 ZINC001156477886 863085254 /nfs/dbraw/zinc/08/52/54/863085254.db2.gz RCBGEBNZRNCNQY-UHFFFAOYSA-N 1 0 317.683 1.939 20 5 DDBDRO C[C@@H](C[N+](C)(C)C)OCC(=O)OCc1ccc([N+](=O)[O-])cc1 ZINC001224989053 881627768 /nfs/dbraw/zinc/62/77/68/881627768.db2.gz KIGAJPFIHQJFSH-LBPRGKRZSA-N 1 0 311.358 1.749 20 5 DDBDRO C[NH+](C)[C@H](CNC(=O)c1c[nH]nc1[N+](=O)[O-])C1CCCCC1 ZINC001328693052 863152445 /nfs/dbraw/zinc/15/24/45/863152445.db2.gz DPBNECZVIYMIKH-GFCCVEGCSA-N 1 0 309.370 1.558 20 5 DDBDRO CC[N@@H+]1C[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C(C)(C)C1 ZINC001156827368 863372685 /nfs/dbraw/zinc/37/26/85/863372685.db2.gz CCFZCYYAUYSMGK-LBPRGKRZSA-N 1 0 324.356 1.776 20 5 DDBDRO COC(=O)[C@@H](CCC[NH3+])Nc1ncnc2cc([N+](=O)[O-])ccc21 ZINC001157116003 863593680 /nfs/dbraw/zinc/59/36/80/863593680.db2.gz HPFKMFKZSQQZLV-LLVKDONJSA-N 1 0 319.321 1.230 20 5 DDBDRO Cc1ccc(NCCCNC(=O)[C@@H]2[NH2+]C[C@@H]3C[C@@H]32)c([N+](=O)[O-])c1 ZINC001329648926 863770762 /nfs/dbraw/zinc/77/07/62/863770762.db2.gz WTBNJYXZPUSJAF-SLEUVZQESA-N 1 0 318.377 1.429 20 5 DDBDRO Cc1ccnc(N(c2cnccn2)C2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001157537371 863898405 /nfs/dbraw/zinc/89/84/05/863898405.db2.gz GCACEYKMSLJUEO-UHFFFAOYSA-N 1 0 314.349 1.978 20 5 DDBDRO [NH3+]C[C@]1(F)CCN(c2ccc(-c3ccc([N+](=O)[O-])cc3)nn2)C1 ZINC001157817030 864167958 /nfs/dbraw/zinc/16/79/58/864167958.db2.gz JWLWQUNEQRHKCU-OAHLLOKOSA-N 1 0 317.324 1.929 20 5 DDBDRO [NH3+]CCN(c1cccnc1)c1cc([N+](=O)[O-])cc(Cl)[n+]1[O-] ZINC001158000825 864347683 /nfs/dbraw/zinc/34/76/83/864347683.db2.gz HXGXFBAVCHXDDS-UHFFFAOYSA-N 1 0 309.713 1.373 20 5 DDBDRO COc1ncnc(-n2cc(CC[NH3+])c3ncccc32)c1[N+](=O)[O-] ZINC001158748800 864878908 /nfs/dbraw/zinc/87/89/08/864878908.db2.gz JTPRODFJOLXTKB-UHFFFAOYSA-N 1 0 314.305 1.234 20 5 DDBDRO COc1ccc(CC[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)cn1 ZINC001331762676 865304414 /nfs/dbraw/zinc/30/44/14/865304414.db2.gz PFTKQBAJYCLZRO-HNNXBMFYSA-N 1 0 317.345 1.864 20 5 DDBDRO CCOC(=O)C1C[NH2+]CCC1=Nc1ccc([N+](=O)[O-])c(OC)n1 ZINC001159453020 865308306 /nfs/dbraw/zinc/30/83/06/865308306.db2.gz MMKJBAYTEIVSOY-UHFFFAOYSA-N 1 0 322.321 1.221 20 5 DDBDRO O=[N+]([O-])c1cc(Cl)c2ncnc(N3C[C@@H]4C[C@H]3C[NH2+]4)c2c1 ZINC001332325705 865761538 /nfs/dbraw/zinc/76/15/38/865761538.db2.gz HRYKYWVAZDYYIF-CBAPKCEASA-N 1 0 305.725 1.742 20 5 DDBDRO C[C@H]1[C@@H](NC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)CC[N@@H+]1C ZINC001332403319 865816674 /nfs/dbraw/zinc/81/66/74/865816674.db2.gz PVVNHMYDBNDLAQ-HZMBPMFUSA-N 1 0 304.350 1.713 20 5 DDBDRO Cc1nn(C)c(C(=O)NCc2ccccc2C[NH3+])c1[N+](=O)[O-] ZINC001332412328 865823689 /nfs/dbraw/zinc/82/36/89/865823689.db2.gz ANCNQZRESIPSGS-UHFFFAOYSA-N 1 0 303.322 1.025 20 5 DDBDRO O=[N+]([O-])c1cnc(NC2CCN([C@H]3CC[NH2+]C3)CC2)c(F)c1 ZINC001161464318 866685980 /nfs/dbraw/zinc/68/59/80/866685980.db2.gz KNMDAMHDPVUFEC-NSHDSACASA-N 1 0 309.345 1.367 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1C[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]2C1 ZINC001334442963 867571719 /nfs/dbraw/zinc/57/17/19/867571719.db2.gz FLIROHJNFFACKP-GRYCIOLGSA-N 1 0 321.381 1.131 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCCNC(=O)CC1(C)CC1 ZINC001162770991 867811964 /nfs/dbraw/zinc/81/19/64/867811964.db2.gz XSOKHTXXHYGMMO-UHFFFAOYSA-N 1 0 309.370 1.114 20 5 DDBDRO COc1cc(C(=O)N2CCN(C)[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC001325167087 867835018 /nfs/dbraw/zinc/83/50/18/867835018.db2.gz WBZOQVGGGQYCPN-VIFPVBQESA-N 1 0 311.313 1.519 20 5 DDBDRO CCOC(=O)c1ccnc(N[C@@H]2C=C[C@@H]3C[NH2+]C[C@H]23)c1[N+](=O)[O-] ZINC001162802340 867837254 /nfs/dbraw/zinc/83/72/54/867837254.db2.gz MNBVBOVXUXWQQH-ADEWGFFLSA-N 1 0 318.333 1.352 20 5 DDBDRO [NH3+][C@H]1Cc2ccccc2N(c2c[n+]([O-])c(Cl)cc2[N+](=O)[O-])C1 ZINC001162841260 867859046 /nfs/dbraw/zinc/85/90/46/867859046.db2.gz GKDFBOBSIDFFTQ-JTQLQIEISA-N 1 0 320.736 1.903 20 5 DDBDRO O=[N+]([O-])c1ccnc(Cl)c1NCc1nnc2n1CCC[NH2+]C2 ZINC001163011399 867996364 /nfs/dbraw/zinc/99/63/64/867996364.db2.gz HNXUXVPNTOWUNP-UHFFFAOYSA-N 1 0 323.744 1.340 20 5 DDBDRO [NH3+]C[C@H](CO)c1ccc(Nc2ncc(F)cc2[N+](=O)[O-])cc1 ZINC001163054316 868041381 /nfs/dbraw/zinc/04/13/81/868041381.db2.gz XZMQBBMAMKUGAJ-SNVBAGLBSA-N 1 0 306.297 1.907 20 5 DDBDRO O=[N+]([O-])c1cc2c(nc1N[C@H]1COCCC13C[NH2+]C3)CCCC2 ZINC001163074499 868058045 /nfs/dbraw/zinc/05/80/45/868058045.db2.gz TVYTUMSCQZDHOX-AWEZNQCLSA-N 1 0 318.377 1.659 20 5 DDBDRO C[C@@H]1[C@@H](NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CC[N@@H+]1C ZINC001335230801 868158123 /nfs/dbraw/zinc/15/81/23/868158123.db2.gz REBSTVOKKFOCFN-ABAIWWIYSA-N 1 0 318.377 1.755 20 5 DDBDRO O=[N+]([O-])c1cccc2c(NC[C@]34C[NH2+]C[C@H]3COC4)ccnc21 ZINC001163158629 868171656 /nfs/dbraw/zinc/17/16/56/868171656.db2.gz PMQUGXUAZVNUIH-ZBEGNZNMSA-N 1 0 314.345 1.791 20 5 DDBDRO Nc1ccnc(NC[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)c1[N+](=O)[O-] ZINC001163281316 868305989 /nfs/dbraw/zinc/30/59/89/868305989.db2.gz WRPDBOHOWRFMGC-IINYFYTJSA-N 1 0 307.354 1.143 20 5 DDBDRO [NH3+]C[C@@H](Nc1c(Cl)[n+]([O-])ccc1[N+](=O)[O-])c1ccccc1 ZINC001163294348 868318763 /nfs/dbraw/zinc/31/87/63/868318763.db2.gz NYTLCOAFLZAMMH-SNVBAGLBSA-N 1 0 308.725 1.994 20 5 DDBDRO O=[N+]([O-])c1c(Cl)ncnc1N[C@@H]1CCO[C@@]2(CC[NH2+]C2)C1 ZINC001163304974 868328778 /nfs/dbraw/zinc/32/87/78/868328778.db2.gz KEJQAKZZJLLMQP-PELKAZGASA-N 1 0 313.745 1.361 20 5 DDBDRO CNC(=O)[C@H](CCCC[NH3+])Nc1nc(C)cc(C)c1[N+](=O)[O-] ZINC001163445098 868455314 /nfs/dbraw/zinc/45/53/14/868455314.db2.gz NPCRBQCTCUCXIB-NSHDSACASA-N 1 0 309.370 1.262 20 5 DDBDRO COC(=O)c1ccc([C@@H]([NH3+])CNc2cccc([N+](=O)[O-])n2)cc1 ZINC001163462157 868470966 /nfs/dbraw/zinc/47/09/66/868470966.db2.gz NYCIRXMZMWFBJZ-LBPRGKRZSA-N 1 0 316.317 1.888 20 5 DDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@H]1C[NH2+]CC1(C)C ZINC001335703421 868486765 /nfs/dbraw/zinc/48/67/65/868486765.db2.gz IXQPWVKICCEZEJ-ZDUSSCGKSA-N 1 0 306.366 1.734 20 5 DDBDRO [NH3+]CCN(CCO)c1c(Br)cc(F)cc1[N+](=O)[O-] ZINC001163832301 868744283 /nfs/dbraw/zinc/74/42/83/868744283.db2.gz LPSWEWICVKXPIV-UHFFFAOYSA-N 1 0 322.134 1.254 20 5 DDBDRO CC[NH+]1CCN(C2CN(c3cc(C)c([N+](=O)[O-])cc3F)C2)CC1 ZINC001336729573 869111970 /nfs/dbraw/zinc/11/19/70/869111970.db2.gz QJRANKYQRCNHHH-UHFFFAOYSA-N 1 0 322.384 1.868 20 5 DDBDRO C[C@@H](C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)Cn1ccnc1 ZINC001336739791 869118814 /nfs/dbraw/zinc/11/88/14/869118814.db2.gz QYDVVHICMAQXNM-WFASDCNBSA-N 1 0 304.350 1.751 20 5 DDBDRO CC(C)Oc1nc(-n2cnc3c2C[NH2+]CC3)ccc1[N+](=O)[O-] ZINC001164316723 869120024 /nfs/dbraw/zinc/12/00/24/869120024.db2.gz FZOIILJVBVUDTR-UHFFFAOYSA-N 1 0 303.322 1.608 20 5 DDBDRO C[C@H]([NH2+]C1(CNCC[N+](=O)[O-])CCOCC1)c1ccccc1 ZINC001336777891 869135164 /nfs/dbraw/zinc/13/51/64/869135164.db2.gz CBWBSILDHBYMJL-AWEZNQCLSA-N 1 0 307.394 1.753 20 5 DDBDRO C[N@H+](C1CN(c2cc([N+](=O)[O-])cc(Cl)n2)C1)[C@@H]1CCOC1 ZINC001165203976 869426247 /nfs/dbraw/zinc/42/62/47/869426247.db2.gz PEWNZTMFPYQYSC-SECBINFHSA-N 1 0 312.757 1.553 20 5 DDBDRO COc1cc(C)nc(N2CC([N@H+](C)[C@@H]3CCOC3)C2)c1[N+](=O)[O-] ZINC001165205892 869430758 /nfs/dbraw/zinc/43/07/58/869430758.db2.gz XCDCZZDVROYCDE-LLVKDONJSA-N 1 0 322.365 1.216 20 5 DDBDRO C[N@@H+]1CCC[C@H](CCNc2ncnc3[nH]cc([N+](=O)[O-])c32)C1 ZINC001165262516 869476701 /nfs/dbraw/zinc/47/67/01/869476701.db2.gz VTDVYXVCAOTRJM-SNVBAGLBSA-N 1 0 304.354 1.962 20 5 DDBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N2CC[C@@H]3[NH2+]CC[C@H]32)n1 ZINC001165296885 869504067 /nfs/dbraw/zinc/50/40/67/869504067.db2.gz YLMQKQZCHYWXKT-NKWVEPMBSA-N 1 0 315.786 1.701 20 5 DDBDRO CC[NH+](CC)C1CCN(c2nnc([C@@H](C)[N+](=O)[O-])n2C)CC1 ZINC001338210687 869870379 /nfs/dbraw/zinc/87/03/79/869870379.db2.gz WEAATRQJKFQNTJ-LLVKDONJSA-N 1 0 310.402 1.463 20 5 DDBDRO CC[C@H](C)NC(=O)[C@H](C)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001338420845 869971400 /nfs/dbraw/zinc/97/14/00/869971400.db2.gz BZAVBYXQDHWIJG-MJVIPROJSA-N 1 0 309.366 1.521 20 5 DDBDRO [NH3+]C[C@H]1CN(c2nc3ccccc3c(Cl)c2[N+](=O)[O-])CCO1 ZINC001166940481 870401110 /nfs/dbraw/zinc/40/11/10/870401110.db2.gz IPYMTWYSHOYGBF-VIFPVBQESA-N 1 0 322.752 1.960 20 5 DDBDRO [NH3+][C@@H]1CCN(c2ncnc3cc([N+](=O)[O-])ccc32)CC1(F)F ZINC001166960006 870421822 /nfs/dbraw/zinc/42/18/22/870421822.db2.gz FTKRIFXLTRXIFR-LLVKDONJSA-N 1 0 309.276 1.711 20 5 DDBDRO C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC001339264380 870427193 /nfs/dbraw/zinc/42/71/93/870427193.db2.gz KWMAYMIZBVQCHB-LLVKDONJSA-N 1 0 321.333 1.538 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCC[N@@H+]1C ZINC001339265101 870427753 /nfs/dbraw/zinc/42/77/53/870427753.db2.gz OXYCMCCZRVYGIL-GFCCVEGCSA-N 1 0 307.350 1.818 20 5 DDBDRO O=[N+]([O-])c1ccnc(-n2cc3c(cccc3N3CC[NH2+]CC3)n2)c1 ZINC001166991740 870454424 /nfs/dbraw/zinc/45/44/24/870454424.db2.gz TXJWANRDJNNIQD-UHFFFAOYSA-N 1 0 324.344 1.738 20 5 DDBDRO C[C@H](O)[C@H](O)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC001203276196 870524325 /nfs/dbraw/zinc/52/43/25/870524325.db2.gz JRDAFSQBWLBKGN-IINYFYTJSA-N 1 0 306.318 1.686 20 5 DDBDRO CCn1c2ccccc2nc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001226529368 882488346 /nfs/dbraw/zinc/48/83/46/882488346.db2.gz BJEGZEFRRJNBGY-GFCCVEGCSA-N 1 0 306.386 1.419 20 5 DDBDRO O=C([C@H]1[C@@H]2CC[NH2+]C[C@@H]21)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001340652073 871259392 /nfs/dbraw/zinc/25/93/92/871259392.db2.gz DVRSLLRLNCMNBD-PMPSAXMXSA-N 1 0 315.373 1.941 20 5 DDBDRO CCN(C(=O)CCc1cc(F)ccc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC001340871428 871400662 /nfs/dbraw/zinc/40/06/62/871400662.db2.gz DEMGZFKUTJLRQG-ZDUSSCGKSA-N 1 0 309.341 1.877 20 5 DDBDRO CCC1([NH+](C)C)CCN(c2nnc([C@H](C)[N+](=O)[O-])n2C)CC1 ZINC001341358080 871619854 /nfs/dbraw/zinc/61/98/54/871619854.db2.gz CYGQXCFCOZXCDK-NSHDSACASA-N 1 0 310.402 1.463 20 5 DDBDRO C[C@H](NC(=O)NCC[N@@H+]1CC[C@H](O)C1)c1ccc([N+](=O)[O-])cc1 ZINC001313286555 871785602 /nfs/dbraw/zinc/78/56/02/871785602.db2.gz LXXSTVFRKHLJQZ-FZMZJTMJSA-N 1 0 322.365 1.022 20 5 DDBDRO C[NH+](C)[C@@H]1CCCC[C@@H]1Nc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC001341771645 871815819 /nfs/dbraw/zinc/81/58/19/871815819.db2.gz ZKZIPKTVGBGQFX-UONOGXRCSA-N 1 0 308.382 1.954 20 5 DDBDRO CCOc1ccc(C(=O)N2CC[C@H]3CC[C@]32C[NH3+])cc1[N+](=O)[O-] ZINC001342260799 872107231 /nfs/dbraw/zinc/10/72/31/872107231.db2.gz WWMHXYYVIMXJPY-WBMJQRKESA-N 1 0 319.361 1.947 20 5 DDBDRO CCN(C(=O)Cc1ccc(OC)c([N+](=O)[O-])c1)[C@H]1CCC[NH2+]C1 ZINC001342276462 872121068 /nfs/dbraw/zinc/12/10/68/872121068.db2.gz KBONGEBOAODKOS-ZDUSSCGKSA-N 1 0 321.377 1.746 20 5 DDBDRO COC[C@@H]1C[NH2+]CCN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC001343176913 872525892 /nfs/dbraw/zinc/52/58/92/872525892.db2.gz AYIFTTWQKKGXRO-JTQLQIEISA-N 1 0 313.741 1.309 20 5 DDBDRO O=C(COc1cccc([N+](=O)[O-])c1)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC001345140377 873270136 /nfs/dbraw/zinc/27/01/36/873270136.db2.gz ZJGZNCWIECGWEQ-INIZCTEOSA-N 1 0 319.361 1.718 20 5 DDBDRO C[C@H](CC[NH+]1CCCC1)OC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC001345533516 873432108 /nfs/dbraw/zinc/43/21/08/873432108.db2.gz KUAPPYMIDXLBHN-GFCCVEGCSA-N 1 0 324.381 1.944 20 5 DDBDRO [NH3+][C@H]1CCCC[C@H]1C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC001345992762 873585931 /nfs/dbraw/zinc/58/59/31/873585931.db2.gz JWYIJOUYNGBHLK-NEPJUHHUSA-N 1 0 306.366 1.640 20 5 DDBDRO Cc1nn(C)c(C(=O)NCC23CCC[NH+](CCC2)C3)c1[N+](=O)[O-] ZINC001347132801 874027971 /nfs/dbraw/zinc/02/79/71/874027971.db2.gz SMUBQDFNXNFVEA-UHFFFAOYSA-N 1 0 321.381 1.243 20 5 DDBDRO Cc1cc(OC(=O)C[C@@H](O)C[N+](C)(C)C)nc2ccccc12 ZINC001227049882 882797279 /nfs/dbraw/zinc/79/72/79/882797279.db2.gz WGWKCTBRYGFOHK-CYBMUJFWSA-N 1 0 303.382 1.906 20 5 DDBDRO Cc1c([C@@H](C)[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)cnn1C ZINC001349608210 875261570 /nfs/dbraw/zinc/26/15/70/875261570.db2.gz IWYUOLUFMRUXIR-OIKLOGQESA-N 1 0 304.354 1.888 20 5 DDBDRO CCn1c(C[N+](=O)[O-])nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001352440596 876747555 /nfs/dbraw/zinc/74/75/55/876747555.db2.gz QEFDYYOWVHUMID-LBPRGKRZSA-N 1 0 308.386 1.139 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCCOC[C@H]2CCOC2)c1 ZINC001353317186 877249880 /nfs/dbraw/zinc/24/98/80/877249880.db2.gz TXMDRUKTWNMBBT-CJNGLKHVSA-N 1 0 324.377 1.661 20 5 DDBDRO CCO[C@@]1(C)C[C@H]1[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC001353377520 877285748 /nfs/dbraw/zinc/28/57/48/877285748.db2.gz PSDGUDYXIACXMN-CFVMTHIKSA-N 1 0 310.350 1.492 20 5 DDBDRO CC(=O)Nc1cc(O[C@H]2CCC[NH2+]C2)c(C(C)=O)cc1[N+](=O)[O-] ZINC001218283701 877444521 /nfs/dbraw/zinc/44/45/21/877444521.db2.gz KYFRMVGZEYEVFE-NSHDSACASA-N 1 0 321.333 1.887 20 5 DDBDRO Cc1c(CC(=O)N2CC[C@@H](C[NH3+])[C@H](C)C2)cccc1[N+](=O)[O-] ZINC001355064795 878406033 /nfs/dbraw/zinc/40/60/33/878406033.db2.gz ISILSLIYYXCHAS-RISCZKNCSA-N 1 0 305.378 1.889 20 5 DDBDRO C[C@@H](CNC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2)c1ccccc1[N+](=O)[O-] ZINC001355316512 878496278 /nfs/dbraw/zinc/49/62/78/878496278.db2.gz OHFNFQYMOITDLI-BUWBCJGYSA-N 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883606320 /nfs/dbraw/zinc/60/63/20/883606320.db2.gz DPRXCVHKZSXNHB-GFCCVEGCSA-N 1 0 321.353 1.393 20 5 DDBDRO CO[C@@H]1CC[N@H+](CCOc2cc3n[nH]cc3cc2[N+](=O)[O-])C1 ZINC001230601304 884641224 /nfs/dbraw/zinc/64/12/24/884641224.db2.gz LWLPWVMEGNLOSS-LLVKDONJSA-N 1 0 306.322 1.571 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cccc2ncc(F)cc21 ZINC001233637819 887179579 /nfs/dbraw/zinc/17/95/79/887179579.db2.gz XSYREGONXIAEIK-GFCCVEGCSA-N 1 0 307.345 1.737 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC(N3CC[C@H]4[NH2+]CC[C@H]43)CC2)cc1 ZINC001246632798 892753321 /nfs/dbraw/zinc/75/33/21/892753321.db2.gz ADPZEVJLHGAXPG-IAGOWNOFSA-N 1 0 316.405 2.000 20 5 DDBDRO [NH3+]Cc1cnnn1C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254468200 896453045 /nfs/dbraw/zinc/45/30/45/896453045.db2.gz IIQHNUPOBAWNKT-UHFFFAOYSA-N 1 0 302.338 1.487 20 5 DDBDRO COC(=O)C[C@H]1COCCN1[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254563646 896502913 /nfs/dbraw/zinc/50/29/13/896502913.db2.gz AFFMIRPWGLKIBI-JSGCOSHPSA-N 1 0 322.361 1.790 20 5 DDBDRO 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323.349 1.596 20 5 DDBDRO O=C(Cc1ccccc1[N+](=O)[O-])NC[C@H]1CCCC[N@H+]1CCO ZINC000452390051 231375109 /nfs/dbraw/zinc/37/51/09/231375109.db2.gz NLVLBCCDCHXJHM-CQSZACIVSA-N 1 0 321.377 1.100 20 5 DDBDRO CCO[C@H]1C[C@H]([N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)C1(C)C ZINC000090550317 185302274 /nfs/dbraw/zinc/30/22/74/185302274.db2.gz SVLIWMZTHGHALV-KBPBESRZSA-N 1 0 323.393 1.892 20 5 DDBDRO CO[C@@]1(C)C[C@H]([N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)C1(C)C ZINC000090551327 185302961 /nfs/dbraw/zinc/30/29/61/185302961.db2.gz FCFXUGVRJZIKLR-BBRMVZONSA-N 1 0 323.393 1.892 20 5 DDBDRO CN(CC(=O)N(C1CC1)[C@H]1CC[NH2+]C1)c1ccccc1[N+](=O)[O-] ZINC000435242335 529825965 /nfs/dbraw/zinc/82/59/65/529825965.db2.gz KLGZTBVQHHVJHP-ZDUSSCGKSA-N 1 0 318.377 1.384 20 5 DDBDRO CN(CC(C)(C)C[NH3+])C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000417237169 529845091 /nfs/dbraw/zinc/84/50/91/529845091.db2.gz VWKIFZQMKJLYRE-UHFFFAOYSA-N 1 0 308.382 1.764 20 5 DDBDRO C[C@H](NC(=O)Nc1ccncc1[N+](=O)[O-])C1=CC[N@H+](C)CC1 ZINC000272773857 210179071 /nfs/dbraw/zinc/17/90/71/210179071.db2.gz XYOUQOCCGWOGKU-JTQLQIEISA-N 1 0 305.338 1.762 20 5 DDBDRO C[N@@H+]1CCC[C@@H](CCNC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000458170333 530054453 /nfs/dbraw/zinc/05/44/53/530054453.db2.gz PCCWDXMWRRDVLL-ZDUSSCGKSA-N 1 0 321.377 1.822 20 5 DDBDRO C[N@@H+]1CCC[C@@H](CCNC(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000458219190 530054753 /nfs/dbraw/zinc/05/47/53/530054753.db2.gz OTLWCQQERAHNFD-NSHDSACASA-N 1 0 306.366 1.639 20 5 DDBDRO C[N@@H+]1CCC[C@@]2(CCN(c3ncc([N+](=O)[O-])cc3C(N)=O)C2)C1 ZINC000292819015 530059964 /nfs/dbraw/zinc/05/99/64/530059964.db2.gz OTCJIYDFULUHKX-OAHLLOKOSA-N 1 0 319.365 1.011 20 5 DDBDRO C[N@@H+]1CCC[C@H](CCNC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000458176619 530060292 /nfs/dbraw/zinc/06/02/92/530060292.db2.gz UONDAZAHOVQLQT-GFCCVEGCSA-N 1 0 309.370 1.030 20 5 DDBDRO C[C@@H]1C[C@H](NC(=O)CN(C)c2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000330923162 232167486 /nfs/dbraw/zinc/16/74/86/232167486.db2.gz SGBLICMNESKOFL-CHWSQXEVSA-N 1 0 320.393 1.630 20 5 DDBDRO COc1cc(C(=O)N[C@H]2CCC[N@H+](C)C2)cc([N+](=O)[O-])c1C ZINC000616322134 362636913 /nfs/dbraw/zinc/63/69/13/362636913.db2.gz BVDOLXZZPMUOAH-LBPRGKRZSA-N 1 0 307.350 1.736 20 5 DDBDRO CN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000068037381 190744337 /nfs/dbraw/zinc/74/43/37/190744337.db2.gz IMMALSULMDTGJB-UHFFFAOYSA-N 1 0 313.379 1.310 20 5 DDBDRO COC(=O)[C@H]1C[C@@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000564564556 304001293 /nfs/dbraw/zinc/00/12/93/304001293.db2.gz QHNSZCKYGFELJC-PHIMTYICSA-N 1 0 321.333 1.465 20 5 DDBDRO CC[C@@]1([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCOC1 ZINC000616866184 362853601 /nfs/dbraw/zinc/85/36/01/362853601.db2.gz URWPUUWDORTDAA-DZGCQCFKSA-N 1 0 310.350 1.493 20 5 DDBDRO COc1c(C(=O)NCC(C)(C)C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000353834436 290851665 /nfs/dbraw/zinc/85/16/65/290851665.db2.gz XYKCODYIHHRHQR-UHFFFAOYSA-N 1 0 309.366 1.921 20 5 DDBDRO Nc1c(C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)cc(F)cc1[N+](=O)[O-] ZINC000293296850 186654197 /nfs/dbraw/zinc/65/41/97/186654197.db2.gz HNYBXAVSYOSSLP-GZMMTYOYSA-N 1 0 308.313 1.140 20 5 DDBDRO CC(C)[C@H](CNc1ncc([N+](=O)[O-])cc1C(N)=O)[NH+]1CCCC1 ZINC000298389995 186711001 /nfs/dbraw/zinc/71/10/01/186711001.db2.gz DJMADPLWZYLGLL-ZDUSSCGKSA-N 1 0 321.381 1.621 20 5 DDBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000027745095 352222264 /nfs/dbraw/zinc/22/22/64/352222264.db2.gz NZGOZISYVXKMRG-CYBMUJFWSA-N 1 0 321.377 1.964 20 5 DDBDRO COCC[N@H+](C)CCCNC(=O)c1cccc([N+](=O)[O-])c1C ZINC000041951290 352319681 /nfs/dbraw/zinc/31/96/81/352319681.db2.gz OZSNHBNSRHESLX-UHFFFAOYSA-N 1 0 309.366 1.601 20 5 DDBDRO CNc1ccc(C(=O)NC[C@@H](C)[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000046408844 352451774 /nfs/dbraw/zinc/45/17/74/352451774.db2.gz JRPUCFHLRTWXDO-LLVKDONJSA-N 1 0 306.366 1.851 20 5 DDBDRO Cc1nn(CCC(=O)NC[C@H](C)[N@H+](C)C2CC2)c(C)c1[N+](=O)[O-] ZINC000057703852 352825102 /nfs/dbraw/zinc/82/51/02/352825102.db2.gz XYJMGRRSNZLRFR-JTQLQIEISA-N 1 0 323.397 1.397 20 5 DDBDRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNc1ccncc1[N+](=O)[O-] ZINC000066812064 353017849 /nfs/dbraw/zinc/01/78/49/353017849.db2.gz SCNGHNNSLNDCBZ-CYBMUJFWSA-N 1 0 321.381 1.344 20 5 DDBDRO CNC(=O)c1ccc(N[C@@H]2CC[N@@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000067711408 353064001 /nfs/dbraw/zinc/06/40/01/353064001.db2.gz FAHRYWYIOOCWBP-LLVKDONJSA-N 1 0 304.350 1.603 20 5 DDBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000073786987 353270768 /nfs/dbraw/zinc/27/07/68/353270768.db2.gz UKLBSJLPLOQZBI-AWEZNQCLSA-N 1 0 306.366 1.878 20 5 DDBDRO COCCOC[C@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000174105007 198292040 /nfs/dbraw/zinc/29/20/40/198292040.db2.gz MAQIPKSCXZQCPZ-AWEZNQCLSA-N 1 0 324.377 1.959 20 5 DDBDRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000074326559 353307113 /nfs/dbraw/zinc/30/71/13/353307113.db2.gz YYKDLXVOEFZACD-GFCCVEGCSA-N 1 0 307.350 1.992 20 5 DDBDRO Cc1ccc(C[N@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)s1 ZINC000075712776 353377518 /nfs/dbraw/zinc/37/75/18/353377518.db2.gz UXOFPUZTJBCWPH-LBPRGKRZSA-N 1 0 310.379 1.654 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCCc3sccc3C2)c1 ZINC000075718575 353378305 /nfs/dbraw/zinc/37/83/05/353378305.db2.gz ATDQLKUIRBZFFP-CYBMUJFWSA-N 1 0 322.390 1.662 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCOC3(CCCCC3)C2)c1 ZINC000075832657 353381049 /nfs/dbraw/zinc/38/10/49/353381049.db2.gz BCBFAKCRJOUUJT-CQSZACIVSA-N 1 0 324.381 1.187 20 5 DDBDRO COc1cc(N2CC[C@@H](C[NH+]3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000078404795 353515241 /nfs/dbraw/zinc/51/52/41/353515241.db2.gz IPQCZYOMGRFTHC-ZDUSSCGKSA-N 1 0 321.377 1.762 20 5 DDBDRO CCc1nn(C)c(NCCCC[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000092828759 353871359 /nfs/dbraw/zinc/87/13/59/353871359.db2.gz DZBMZPBKLBPHFF-UHFFFAOYSA-N 1 0 311.386 1.415 20 5 DDBDRO C[C@@H]([NH3+])[C@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CCO1 ZINC000127794770 354068167 /nfs/dbraw/zinc/06/81/67/354068167.db2.gz MMJNJZOOERAXBM-PRHODGIISA-N 1 0 313.741 1.436 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000142137767 354143298 /nfs/dbraw/zinc/14/32/98/354143298.db2.gz LYCKUTBKOAKPNE-CYBMUJFWSA-N 1 0 319.361 1.914 20 5 DDBDRO CN(C(=O)C[N@@H+]1CCC[C@@H](CO)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000292896207 354452598 /nfs/dbraw/zinc/45/25/98/354452598.db2.gz ACFNPOSTOPGWTI-CYBMUJFWSA-N 1 0 321.377 1.652 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2CCc3ccccc3C2)c1 ZINC000321121498 354531017 /nfs/dbraw/zinc/53/10/17/354531017.db2.gz QGBONIXFCPISBI-GDBMZVCRSA-N 1 0 316.361 1.299 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@@H]2Cc3ccccc32)c1 ZINC000317772835 354512969 /nfs/dbraw/zinc/51/29/69/354512969.db2.gz WFWNJNVZYAADTG-JSGCOSHPSA-N 1 0 302.334 1.082 20 5 DDBDRO CCO[C@@H]1CN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000405348201 354678736 /nfs/dbraw/zinc/67/87/36/354678736.db2.gz RUGSLYGMJOTIJR-NOZJJQNGSA-N 1 0 311.313 1.170 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@@H](CCO)C2)c1 ZINC000589499647 354996938 /nfs/dbraw/zinc/99/69/38/354996938.db2.gz ZMKHWPTWADCKBE-LBPRGKRZSA-N 1 0 322.361 1.976 20 5 DDBDRO CCCN(CC(N)=O)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000590053764 355044708 /nfs/dbraw/zinc/04/47/08/355044708.db2.gz UVFAUTQVHDFVKD-UHFFFAOYSA-N 1 0 309.322 1.079 20 5 DDBDRO O=C(CCNc1ccccc1[N+](=O)[O-])NCCC[NH+]1CCCC1 ZINC000073418331 191315461 /nfs/dbraw/zinc/31/54/61/191315461.db2.gz PUJAKTSNZXNBKI-UHFFFAOYSA-N 1 0 320.393 1.999 20 5 DDBDRO COC(=O)c1ccnc(NCC[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000590571437 355116557 /nfs/dbraw/zinc/11/65/57/355116557.db2.gz FVNRJJBGOWDZSL-UHFFFAOYSA-N 1 0 322.365 1.920 20 5 DDBDRO Cc1c(CC(=O)N2CC[C@H]([NH+](C)C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000590403155 355085800 /nfs/dbraw/zinc/08/58/00/355085800.db2.gz IKUWSOQBYLQNRC-DOMZBBRYSA-N 1 0 305.378 1.997 20 5 DDBDRO C[N@@H+]1C[C@H]2CCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3N)[C@H]2C1 ZINC000590444454 355098358 /nfs/dbraw/zinc/09/83/58/355098358.db2.gz LZJTWHXXBUCMKJ-PELKAZGASA-N 1 0 308.313 1.092 20 5 DDBDRO C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc4c(c([N+](=O)[O-])c3)OCO4)[C@@H]2C1 ZINC000590445620 355098867 /nfs/dbraw/zinc/09/88/67/355098867.db2.gz QZZRWDQHDMEHRP-JOYOIKCWSA-N 1 0 319.317 1.100 20 5 DDBDRO O=C1CC[C@@H]([NH+]2CCN(c3ccc([N+](=O)[O-])s3)CC2)CCN1 ZINC000590736093 355159178 /nfs/dbraw/zinc/15/91/78/355159178.db2.gz YVAXOGQKSQYUNC-LLVKDONJSA-N 1 0 324.406 1.447 20 5 DDBDRO COC(=O)C[C@@H]1CC[C@@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)[C@H]1C ZINC000280322254 215540415 /nfs/dbraw/zinc/54/04/15/215540415.db2.gz PNAGNIGMUIQDEZ-GMXVVIOVSA-N 1 0 310.354 1.359 20 5 DDBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1c([N+](=O)[O-])cnn1C ZINC000408103126 291062364 /nfs/dbraw/zinc/06/23/64/291062364.db2.gz KREGURGQMXYBNQ-WDEREUQCSA-N 1 0 307.354 1.027 20 5 DDBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000591347093 355294408 /nfs/dbraw/zinc/29/44/08/355294408.db2.gz YGUMVNVVIQJZPI-ZFWWWQNUSA-N 1 0 318.377 1.531 20 5 DDBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000591347091 355294510 /nfs/dbraw/zinc/29/45/10/355294510.db2.gz YGUMVNVVIQJZPI-HIFRSBDPSA-N 1 0 318.377 1.531 20 5 DDBDRO CC[C@@H]1CN(C(=O)NCCc2ccccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000591353218 355296556 /nfs/dbraw/zinc/29/65/56/355296556.db2.gz ABQAZKJGFBLGSA-TZMCWYRMSA-N 1 0 320.393 1.906 20 5 DDBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000591356135 355297997 /nfs/dbraw/zinc/29/79/97/355297997.db2.gz TUTHJTYHDCGFHM-UKRRQHHQSA-N 1 0 318.377 1.531 20 5 DDBDRO [NH3+][C@H]1CCCO[C@H]1C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000591446029 355312609 /nfs/dbraw/zinc/31/26/09/355312609.db2.gz LBAGBGAYPYJQMN-ZFWWWQNUSA-N 1 0 306.366 1.713 20 5 DDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000591443725 355312778 /nfs/dbraw/zinc/31/27/78/355312778.db2.gz VAHXNBXLICTDQF-OCCSQVGLSA-N 1 0 323.397 1.452 20 5 DDBDRO O=[N+]([O-])c1ccc2oc(CN3CC[C@@H]4CC[NH2+][C@H]4C3)nc2c1 ZINC000591447868 355313490 /nfs/dbraw/zinc/31/34/90/355313490.db2.gz BGLROKMXGOYEKX-GWCFXTLKSA-N 1 0 302.334 1.920 20 5 DDBDRO COc1cc(C(=O)N2CC[NH2+]CC2(C)C)cc([N+](=O)[O-])c1C ZINC000591678486 355360216 /nfs/dbraw/zinc/36/02/16/355360216.db2.gz VCDOYLPIVMUVPE-UHFFFAOYSA-N 1 0 307.350 1.736 20 5 DDBDRO Cc1n[nH]c(C(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC000592256114 355548479 /nfs/dbraw/zinc/54/84/79/355548479.db2.gz ZJMFTGMECAGLEG-MNOVXSKESA-N 1 0 307.354 1.088 20 5 DDBDRO O=C(NC[C@H]1CCCC[NH2+]1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000592439844 355584381 /nfs/dbraw/zinc/58/43/81/355584381.db2.gz GLXRCFCIJSUAOQ-LLVKDONJSA-N 1 0 302.334 1.948 20 5 DDBDRO NC(=O)c1ccc(CN(C2CC2)C2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000592471219 355592690 /nfs/dbraw/zinc/59/26/90/355592690.db2.gz MPTIQQXJWTXISW-UHFFFAOYSA-N 1 0 318.377 1.410 20 5 DDBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000592475267 355593859 /nfs/dbraw/zinc/59/38/59/355593859.db2.gz GFJCZWOLKMRALP-BLLLJJGKSA-N 1 0 323.393 1.930 20 5 DDBDRO C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593109385 355801205 /nfs/dbraw/zinc/80/12/05/355801205.db2.gz IWIBUZYRYAJFKV-PHIMTYICSA-N 1 0 309.341 1.827 20 5 DDBDRO C[C@H]1CC[N@H+](CCNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000593499002 355904593 /nfs/dbraw/zinc/90/45/93/355904593.db2.gz KPIBXVOZMQALDS-NSHDSACASA-N 1 0 309.341 1.734 20 5 DDBDRO C[NH+](C)C[C@@H]1CCN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000593467302 355894185 /nfs/dbraw/zinc/89/41/85/355894185.db2.gz KSDDETNDJGFPPX-NSHDSACASA-N 1 0 309.341 1.687 20 5 DDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CC[C@]2(O)CCOC2)n1 ZINC000593721298 355976192 /nfs/dbraw/zinc/97/61/92/355976192.db2.gz PCMOVEDCULEUNC-GUTXKFCHSA-N 1 0 324.381 1.406 20 5 DDBDRO Cc1ccc(CN2CCN(CC[NH+](C)C)C(=O)C2)cc1[N+](=O)[O-] ZINC000593655277 355955111 /nfs/dbraw/zinc/95/51/11/355955111.db2.gz BMVRRYUNBQCNBC-UHFFFAOYSA-N 1 0 320.393 1.109 20 5 DDBDRO COc1cc(C[NH2+][C@@H](CO)CCF)c([N+](=O)[O-])cc1OC ZINC000593688281 355967182 /nfs/dbraw/zinc/96/71/82/355967182.db2.gz FJKSTLCBENAQCV-SNVBAGLBSA-N 1 0 302.302 1.422 20 5 DDBDRO C[NH2+]CCNC(=O)c1cccc(Cn2nc([N+](=O)[O-])cc2C)c1 ZINC000593904315 356050662 /nfs/dbraw/zinc/05/06/62/356050662.db2.gz URFJKZAMJXIQHG-UHFFFAOYSA-N 1 0 317.349 1.097 20 5 DDBDRO CC(C)Oc1nc(N2CC[C@H]3CC[NH2+][C@@H]3C2)ccc1[N+](=O)[O-] ZINC000593931370 356066776 /nfs/dbraw/zinc/06/67/76/356066776.db2.gz KGCXBVXMWLSBAJ-VXGBXAGGSA-N 1 0 306.366 1.965 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000594025432 356093267 /nfs/dbraw/zinc/09/32/67/356093267.db2.gz LFSIHTKIQZFGKR-AEGPPILISA-N 1 0 305.378 1.715 20 5 DDBDRO O=C([C@@H]1C[C@@]12CCC[NH2+]C2)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000594445238 356219236 /nfs/dbraw/zinc/21/92/36/356219236.db2.gz IVPKVOAVSAXKPZ-XJKSGUPXSA-N 1 0 316.361 1.264 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@H]2CCC3(CCCC3)O2)c1 ZINC000594575090 356253181 /nfs/dbraw/zinc/25/31/81/356253181.db2.gz PAFUJDCEIICQFC-ZIAGYGMSSA-N 1 0 324.381 1.234 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H]2C[C@@H]([NH+](C)C)C2)n1 ZINC000594591761 356258653 /nfs/dbraw/zinc/25/86/53/356258653.db2.gz JNRNFFCCMATASE-AOOOYVTPSA-N 1 0 308.338 1.529 20 5 DDBDRO C[C@@H](NC(=O)N[C@H](C[NH3+])C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000594524931 356243323 /nfs/dbraw/zinc/24/33/23/356243323.db2.gz NQKPAUOFJWAZCY-GMSGAONNSA-N 1 0 320.271 1.845 20 5 DDBDRO C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1)C1CC1 ZINC000594732460 356300646 /nfs/dbraw/zinc/30/06/46/356300646.db2.gz LDWPHHRFYIJBHA-GFCCVEGCSA-N 1 0 317.349 1.308 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCc1nnnn1C ZINC000595014302 356372104 /nfs/dbraw/zinc/37/21/04/356372104.db2.gz NSMQDJPQKSEGME-SECBINFHSA-N 1 0 306.326 1.020 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000601331255 358501634 /nfs/dbraw/zinc/50/16/34/358501634.db2.gz CIWOGPPYXNASKW-WBMJQRKESA-N 1 0 318.377 1.573 20 5 DDBDRO [NH3+]C1(CNC(=O)NCCc2ccccc2[N+](=O)[O-])CCCC1 ZINC000595263336 356425285 /nfs/dbraw/zinc/42/52/85/356425285.db2.gz UQMIVAZHFGIYAR-UHFFFAOYSA-N 1 0 306.366 1.708 20 5 DDBDRO CNC(=O)CC[C@@H]1CCCC[N@@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595485258 356512425 /nfs/dbraw/zinc/51/24/25/356512425.db2.gz WWIQJBXZWJOXLD-NSHDSACASA-N 1 0 310.354 1.772 20 5 DDBDRO CCC[N@@H+]1CC[C@H](NC(=O)NCc2ccccc2[N+](=O)[O-])C1 ZINC000595447612 356496865 /nfs/dbraw/zinc/49/68/65/356496865.db2.gz OIBVAXJFTXVUDW-ZDUSSCGKSA-N 1 0 306.366 1.878 20 5 DDBDRO CCC[N@@H+]1CC[C@@H](NC(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000595575692 356559154 /nfs/dbraw/zinc/55/91/54/356559154.db2.gz WHEGWVPPAIVPTF-CQSZACIVSA-N 1 0 320.393 1.921 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](CO)C1CCC1 ZINC000595616898 356579368 /nfs/dbraw/zinc/57/93/68/356579368.db2.gz OXZJMDPFUFLOJJ-OAHLLOKOSA-N 1 0 321.377 1.982 20 5 DDBDRO COc1ccc(C[N@@H+]2CC[C@@H]3NC(=O)CC[C@H]3C2)cc1[N+](=O)[O-] ZINC000595744274 356632187 /nfs/dbraw/zinc/63/21/87/356632187.db2.gz VHQBGQPZIFARMN-STQMWFEESA-N 1 0 319.361 1.704 20 5 DDBDRO C[C@@H](O)[C@H]1CCC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000595771470 356645738 /nfs/dbraw/zinc/64/57/38/356645738.db2.gz PJEUYFDCULYJAL-UXIGCNINSA-N 1 0 310.350 1.180 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@@H](CCF)C2)c1 ZINC000595756852 356638385 /nfs/dbraw/zinc/63/83/85/356638385.db2.gz XXSCJCMIZZNOBZ-WCQYABFASA-N 1 0 300.334 1.224 20 5 DDBDRO CN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)CC(C)(C)[NH3+] ZINC000595900313 356696631 /nfs/dbraw/zinc/69/66/31/356696631.db2.gz YZXYOEWSICGNAA-UHFFFAOYSA-N 1 0 305.338 1.814 20 5 DDBDRO CC[C@@H]([NH2+]C)C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000595925091 356707106 /nfs/dbraw/zinc/70/71/06/356707106.db2.gz RQQYRGQVVZGIMV-CMPLNLGQSA-N 1 0 307.354 1.001 20 5 DDBDRO COC(=O)c1cc(NC(=O)[C@@H]2[NH2+]CCC2(C)C)cc([N+](=O)[O-])c1 ZINC000595928308 356708447 /nfs/dbraw/zinc/70/84/47/356708447.db2.gz BSMMADJOLMLZEJ-LBPRGKRZSA-N 1 0 321.333 1.708 20 5 DDBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000595952336 356720177 /nfs/dbraw/zinc/72/01/77/356720177.db2.gz ZESMOLONVOIRFK-RWWNRMGGSA-N 1 0 321.402 1.944 20 5 DDBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000595991840 356738352 /nfs/dbraw/zinc/73/83/52/356738352.db2.gz LYDXHKGLLHAAOY-HZMBPMFUSA-N 1 0 309.391 1.944 20 5 DDBDRO CCC[N@H+](C)C[C@@H]1CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596141635 356788917 /nfs/dbraw/zinc/78/89/17/356788917.db2.gz ILHHAVQUNFXOQX-LBPRGKRZSA-N 1 0 320.393 1.862 20 5 DDBDRO CCCN(CCC[NH+](C)C)c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596205490 356813547 /nfs/dbraw/zinc/81/35/47/356813547.db2.gz JDAAPLNEYDXMQY-UHFFFAOYSA-N 1 0 308.382 1.862 20 5 DDBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000597701285 357291905 /nfs/dbraw/zinc/29/19/05/357291905.db2.gz SDZZBUAQRQOMQY-JQWIXIFHSA-N 1 0 309.370 1.077 20 5 DDBDRO Cc1c(C(=O)NCCN(C)CCC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000597989846 357407006 /nfs/dbraw/zinc/40/70/06/357407006.db2.gz KKYFHPGNUKGTRX-UHFFFAOYSA-N 1 0 322.409 1.517 20 5 DDBDRO Cc1cc(C(=O)NCCN(C)CCC[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000597990168 357408448 /nfs/dbraw/zinc/40/84/48/357408448.db2.gz PMVHXUSIJGWJJK-UHFFFAOYSA-N 1 0 322.409 1.517 20 5 DDBDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000598261049 357511847 /nfs/dbraw/zinc/51/18/47/357511847.db2.gz DBENCIAMFDAXNT-NSHDSACASA-N 1 0 309.370 1.179 20 5 DDBDRO COC(=O)c1ccnc(NCC[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000598590811 357644238 /nfs/dbraw/zinc/64/42/38/357644238.db2.gz QJKANIJHCMLZMD-UHFFFAOYSA-N 1 0 308.338 1.674 20 5 DDBDRO COC(=O)c1ccnc(NC[C@H]2CC[N@@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000598592794 357645577 /nfs/dbraw/zinc/64/55/77/357645577.db2.gz NFYWTOABGQUJHH-LLVKDONJSA-N 1 0 322.365 1.919 20 5 DDBDRO CC[C@H](C)[N@H+](C)CCNc1nccc(C(=O)OC)c1[N+](=O)[O-] ZINC000598592919 357645853 /nfs/dbraw/zinc/64/58/53/357645853.db2.gz NDEAINCJYVNSOB-JTQLQIEISA-N 1 0 310.354 1.919 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@@H](C)[C@H](CO)C2)c1 ZINC000598649095 357670544 /nfs/dbraw/zinc/67/05/44/357670544.db2.gz VLVYQGHSLOKOAF-RISCZKNCSA-N 1 0 322.361 1.832 20 5 DDBDRO Cc1ccc(S(=O)(=O)N[C@H](C)CCC[NH3+])c(C)c1[N+](=O)[O-] ZINC000598713944 357700776 /nfs/dbraw/zinc/70/07/76/357700776.db2.gz FEHUFZBWQCNYTR-SNVBAGLBSA-N 1 0 315.395 1.617 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CC[C@H]2CC2(F)F)c1 ZINC000598730382 357707168 /nfs/dbraw/zinc/70/71/68/357707168.db2.gz UOAGGQZUXHYAGE-JQWIXIFHSA-N 1 0 316.304 1.969 20 5 DDBDRO C[C@@H](O)C[NH+]1CCN(c2ccc3cnccc3c2[N+](=O)[O-])CC1 ZINC000599040988 357799905 /nfs/dbraw/zinc/79/99/05/357799905.db2.gz OWPWRHNIGZIMFN-GFCCVEGCSA-N 1 0 316.361 1.646 20 5 DDBDRO O=C1NC[C@@H]2CN(c3ccc4cnccc4c3[N+](=O)[O-])CCN12 ZINC000599062462 357805642 /nfs/dbraw/zinc/80/56/42/357805642.db2.gz QULPQTHPBGZVQK-LLVKDONJSA-N 1 0 313.317 1.357 20 5 DDBDRO Cc1cc(NC[C@H](O)[C@@H]2CCCO2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000599131717 357824655 /nfs/dbraw/zinc/82/46/55/357824655.db2.gz BDEVOHNTQIVHNA-HOTGVXAUSA-N 1 0 317.345 1.825 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H]1COCCN1C ZINC000599081685 357808934 /nfs/dbraw/zinc/80/89/34/357808934.db2.gz UFEMJGUYRREWOU-WCQYABFASA-N 1 0 309.366 1.585 20 5 DDBDRO CN1CCC[C@H]1C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000599087874 357811381 /nfs/dbraw/zinc/81/13/81/357811381.db2.gz NBKUJHWAJQTXOG-BFHYXJOUSA-N 1 0 307.398 1.959 20 5 DDBDRO C[C@@H]1CC[C@H](NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C[NH2+]1 ZINC000599102894 357816095 /nfs/dbraw/zinc/81/60/95/357816095.db2.gz GTTNTDDVZAYXGU-PWSUYJOCSA-N 1 0 313.379 1.155 20 5 DDBDRO Cc1cc(S(=O)(=O)N[C@H]2CC[C@H](C)[NH2+]C2)ccc1[N+](=O)[O-] ZINC000599104711 357816456 /nfs/dbraw/zinc/81/64/56/357816456.db2.gz NGERHEPGNKJMEO-QWRGUYRKSA-N 1 0 313.379 1.322 20 5 DDBDRO CCOc1cc(C[NH+]2C[C@@H](CO)[C@H](CO)C2)ccc1[N+](=O)[O-] ZINC000599529596 357965029 /nfs/dbraw/zinc/96/50/29/357965029.db2.gz OKIPPFQLLIXTDP-STQMWFEESA-N 1 0 310.350 1.026 20 5 DDBDRO C[NH+]1CCC(NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC1 ZINC000179997851 199104913 /nfs/dbraw/zinc/10/49/13/199104913.db2.gz GBWWFDZSYRTAOW-UHFFFAOYSA-N 1 0 307.306 1.148 20 5 DDBDRO Cc1ccc([C@H](C)NC(=O)N(C)CCOCC[NH3+])cc1[N+](=O)[O-] ZINC000599919595 358080696 /nfs/dbraw/zinc/08/06/96/358080696.db2.gz FDDNZZDIGGVCPK-LBPRGKRZSA-N 1 0 324.381 1.581 20 5 DDBDRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000599992239 358098902 /nfs/dbraw/zinc/09/89/02/358098902.db2.gz VHVYNILFYHUCDU-ZVDSWSACSA-N 1 0 315.373 1.717 20 5 DDBDRO Cc1n[nH]c(C(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)c1[N+](=O)[O-] ZINC000600227484 358162413 /nfs/dbraw/zinc/16/24/13/358162413.db2.gz DBHRLEXFSZGEKG-GFCCVEGCSA-N 1 0 321.381 1.763 20 5 DDBDRO C[NH2+]CC1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000237320881 202230511 /nfs/dbraw/zinc/23/05/11/202230511.db2.gz DXQLWWBALFZDLM-UHFFFAOYSA-N 1 0 320.393 1.855 20 5 DDBDRO CO[C@H]1C[C@@H](C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000600759129 358309641 /nfs/dbraw/zinc/30/96/41/358309641.db2.gz FGVBHVUZLMCXSM-UPJWGTAASA-N 1 0 310.350 1.349 20 5 DDBDRO CC(C)(C)[C@@H](CO)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000180636179 199188957 /nfs/dbraw/zinc/18/89/57/199188957.db2.gz ZLCKTHVAHYCKNB-GXTWGEPZSA-N 1 0 312.366 1.331 20 5 DDBDRO Cc1cc(S(=O)(=O)N(C)CC[NH+](C)C)c(F)cc1[N+](=O)[O-] ZINC000601361878 358516320 /nfs/dbraw/zinc/51/63/20/358516320.db2.gz AIDUTKCXRIJWTC-UHFFFAOYSA-N 1 0 319.358 1.224 20 5 DDBDRO O=C(COc1cccc([N+](=O)[O-])c1)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000601557964 358600111 /nfs/dbraw/zinc/60/01/11/358600111.db2.gz PTAHRZXKOIPYTM-DOMZBBRYSA-N 1 0 319.361 1.574 20 5 DDBDRO NC(=O)c1cccc(N2CC[NH+](C3CCCC3)CC2)c1[N+](=O)[O-] ZINC000439111789 283385224 /nfs/dbraw/zinc/38/52/24/283385224.db2.gz ZVBTZZGIJWQGQL-UHFFFAOYSA-N 1 0 318.377 1.758 20 5 DDBDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000181176472 199261302 /nfs/dbraw/zinc/26/13/02/199261302.db2.gz LCAMYKUFQREMCD-NSHDSACASA-N 1 0 324.381 1.264 20 5 DDBDRO CCN(CCC[NH+](C)C)C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000348141711 283387833 /nfs/dbraw/zinc/38/78/33/283387833.db2.gz FSAWDVWFDHDYDV-UHFFFAOYSA-N 1 0 311.386 1.327 20 5 DDBDRO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)c1c(F)cccc1[N+](=O)[O-])C2 ZINC000601969760 358758870 /nfs/dbraw/zinc/75/88/70/358758870.db2.gz LBOFGMZHZXBPMH-GASCZTMLSA-N 1 0 307.325 1.806 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000601971495 358759609 /nfs/dbraw/zinc/75/96/09/358759609.db2.gz CRVRUBOAJZECRE-BETUJISGSA-N 1 0 319.361 1.810 20 5 DDBDRO O=C(c1c(Br)cccc1[N+](=O)[O-])N1CC[NH2+]CC1 ZINC000602420744 358966323 /nfs/dbraw/zinc/96/63/23/358966323.db2.gz FDVBYWHNNQZZJA-UHFFFAOYSA-N 1 0 314.139 1.403 20 5 DDBDRO CC[NH+]1CCC(CCNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000185736548 199883048 /nfs/dbraw/zinc/88/30/48/199883048.db2.gz ROIYWNRYQCVDQW-UHFFFAOYSA-N 1 0 322.365 1.547 20 5 DDBDRO C[C@H](CC[S@](C)=O)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602566014 359047173 /nfs/dbraw/zinc/04/71/73/359047173.db2.gz CMKDDEAYMXZFJN-BTKVJGODSA-N 1 0 311.363 1.983 20 5 DDBDRO Cn1cc(C[NH+]2CCC(C3CCOCC3)CC2)c([N+](=O)[O-])n1 ZINC000602475804 359002751 /nfs/dbraw/zinc/00/27/51/359002751.db2.gz KTGPCXNXYQXUFQ-UHFFFAOYSA-N 1 0 308.382 1.967 20 5 DDBDRO C[C@]12C[N@H+](Cc3csc([N+](=O)[O-])c3)C[C@@]1(C)C(=O)NC2=O ZINC000602733715 359155444 /nfs/dbraw/zinc/15/54/44/359155444.db2.gz YJQCFZDDWMOBKZ-BETUJISGSA-N 1 0 309.347 1.141 20 5 DDBDRO COC(=O)[C@H]1CCCC[C@@]1(C)[NH2+]Cc1cn(C)nc1[N+](=O)[O-] ZINC000602795104 359197481 /nfs/dbraw/zinc/19/74/81/359197481.db2.gz LIYBLNCIPSKAOQ-BXUZGUMPSA-N 1 0 310.354 1.540 20 5 DDBDRO CCC(CC)(C[NH2+]CCn1c(C)ncc1[N+](=O)[O-])C(=O)OC ZINC000602802932 359203441 /nfs/dbraw/zinc/20/34/41/359203441.db2.gz YDBWTDSJDLVOSV-UHFFFAOYSA-N 1 0 312.370 1.669 20 5 DDBDRO CC[N@@H+]1C[C@H](C)N(C(=O)Nc2c(C)cncc2[N+](=O)[O-])C[C@H]1C ZINC000602952564 359318551 /nfs/dbraw/zinc/31/85/51/359318551.db2.gz NPJYSFWTXFODPX-NEPJUHHUSA-N 1 0 321.381 1.667 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000603089674 359395865 /nfs/dbraw/zinc/39/58/65/359395865.db2.gz SGNPGQZTCDIGCQ-IAQYHMDHSA-N 1 0 305.334 1.298 20 5 DDBDRO O=[N+]([O-])c1ccn(CCn2cc(CC[NH+]3CCCCC3)nn2)n1 ZINC000603218597 359489989 /nfs/dbraw/zinc/48/99/89/359489989.db2.gz IXVZSONQDRWZJL-UHFFFAOYSA-N 1 0 319.369 1.111 20 5 DDBDRO COc1ccc(OCC[N@@H+]2CC[C@H](O)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000186787274 200010171 /nfs/dbraw/zinc/01/01/71/200010171.db2.gz RYCHDWKQRXKZHQ-RISCZKNCSA-N 1 0 310.350 1.685 20 5 DDBDRO C[C@H]1CCC[N@H+](CCNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000186939506 200034237 /nfs/dbraw/zinc/03/42/37/200034237.db2.gz HGYMJYAGONHQEE-JTQLQIEISA-N 1 0 308.338 1.157 20 5 DDBDRO C[C@H]1COCC[N@@H+]1C1CCN(c2cccnc2[N+](=O)[O-])CC1 ZINC000603403711 359619240 /nfs/dbraw/zinc/61/92/40/359619240.db2.gz UHKRMGQBMLCXBK-LBPRGKRZSA-N 1 0 306.366 1.679 20 5 DDBDRO CNC(=O)[C@@]1(C)CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000281062392 216054668 /nfs/dbraw/zinc/05/46/68/216054668.db2.gz KDJQBMTXJZSTDR-HNNXBMFYSA-N 1 0 307.350 1.432 20 5 DDBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000237540785 202276589 /nfs/dbraw/zinc/27/65/89/202276589.db2.gz OYVDQCDDHHWCSX-ZANVPECISA-N 1 0 309.391 1.929 20 5 DDBDRO CN1CCC([NH+]2CCC(Nc3cccnc3[N+](=O)[O-])CC2)CC1 ZINC000604520404 359760194 /nfs/dbraw/zinc/76/01/94/359760194.db2.gz XSIQTMXWBCKXTI-UHFFFAOYSA-N 1 0 319.409 1.960 20 5 DDBDRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000237586250 202293242 /nfs/dbraw/zinc/29/32/42/202293242.db2.gz XYBURMXBSGIMJS-NWDGAFQWSA-N 1 0 306.366 1.606 20 5 DDBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]C[C@@H](O)C(F)(F)F)n1 ZINC000618577859 363680705 /nfs/dbraw/zinc/68/07/05/363680705.db2.gz MDGYKSZSNPVGNU-KXUCPTDWSA-N 1 0 322.287 1.788 20 5 DDBDRO [NH3+]C1CCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1 ZINC000237847263 202368837 /nfs/dbraw/zinc/36/88/37/202368837.db2.gz VQIKYVWGRASWHM-UHFFFAOYSA-N 1 0 318.377 1.758 20 5 DDBDRO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC[NH2+]1 ZINC000189019912 200336344 /nfs/dbraw/zinc/33/63/44/200336344.db2.gz DJBQKHXQIFQIKB-SNVBAGLBSA-N 1 0 300.318 1.577 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000609383035 360303547 /nfs/dbraw/zinc/30/35/47/360303547.db2.gz IKNJFHXSHAPXKU-LBPRGKRZSA-N 1 0 319.361 1.818 20 5 DDBDRO CCOC[C@H](O)C[NH+]1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000609260837 360282611 /nfs/dbraw/zinc/28/26/11/360282611.db2.gz YIPCRLNMYSICQV-MRXNPFEDSA-N 1 0 323.393 1.110 20 5 DDBDRO C[NH+](C)C[C@H]1CCN(c2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC000611709262 360801372 /nfs/dbraw/zinc/80/13/72/360801372.db2.gz RZOYPXIQUQXNOO-LLVKDONJSA-N 1 0 301.350 1.926 20 5 DDBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@H]1CC[C@@H](CO)O1 ZINC000292480672 223110862 /nfs/dbraw/zinc/11/08/62/223110862.db2.gz AUEIEFHQJJKLCL-NEPJUHHUSA-N 1 0 300.742 1.878 20 5 DDBDRO COc1ccc(CC(=O)N[C@@H](C[NH3+])C2CCCC2)cc1[N+](=O)[O-] ZINC000565886629 304101053 /nfs/dbraw/zinc/10/10/53/304101053.db2.gz NKDOPYMTGJSRQN-ZDUSSCGKSA-N 1 0 321.377 1.780 20 5 DDBDRO O=C(NCCC[NH+]1CCCCC1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000193360733 201039742 /nfs/dbraw/zinc/03/97/42/201039742.db2.gz YYMYFOCGINXWSW-UHFFFAOYSA-N 1 0 308.338 1.301 20 5 DDBDRO Cc1cc(S(=O)(=O)N[C@H]2CCC[NH2+][C@H]2C)ccc1[N+](=O)[O-] ZINC000193450060 201052995 /nfs/dbraw/zinc/05/29/95/201052995.db2.gz MMTPBXSTNGFITH-JQWIXIFHSA-N 1 0 313.379 1.322 20 5 DDBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2c2cc(N)c([N+](=O)[O-])c(CO)c2)C1 ZINC000618898195 363787484 /nfs/dbraw/zinc/78/74/84/363787484.db2.gz ZYFLWGBOGOPOMC-IAQYHMDHSA-N 1 0 320.393 1.590 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NCC1CC[NH2+]CC1 ZINC000566099400 304117079 /nfs/dbraw/zinc/11/70/79/304117079.db2.gz DYQXIBSCAZKGOV-UHFFFAOYSA-N 1 0 307.350 1.723 20 5 DDBDRO O=C(C[C@H]1CSCC[NH2+]1)NCCc1ccc([N+](=O)[O-])cc1 ZINC000091137866 193003425 /nfs/dbraw/zinc/00/34/25/193003425.db2.gz HBWBERFJOUMDTM-LBPRGKRZSA-N 1 0 309.391 1.349 20 5 DDBDRO CC[C@@H](C)C[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000093075646 193200587 /nfs/dbraw/zinc/20/05/87/193200587.db2.gz ZBMKMOTVSGNIIL-LLVKDONJSA-N 1 0 315.395 1.509 20 5 DDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@H]([NH3+])C1CCOCC1 ZINC000261877138 203141084 /nfs/dbraw/zinc/14/10/84/203141084.db2.gz UEUUHNHJJDWEBI-CQSZACIVSA-N 1 0 307.350 1.307 20 5 DDBDRO C[C@@H](C[NH3+])C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000262335725 203265242 /nfs/dbraw/zinc/26/52/42/203265242.db2.gz FCCMVWCOFDIEQO-NSHDSACASA-N 1 0 307.350 1.559 20 5 DDBDRO Cc1ccc([C@H](C)NC(=O)C[C@H]2COCC[NH2+]2)cc1[N+](=O)[O-] ZINC000262352941 203271104 /nfs/dbraw/zinc/27/11/04/203271104.db2.gz JJKOLWLZYRRGAM-AAEUAGOBSA-N 1 0 307.350 1.459 20 5 DDBDRO CC[NH2+][C@H](C)CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000359298782 299402564 /nfs/dbraw/zinc/40/25/64/299402564.db2.gz GCMIVFFLUHOZHI-SNVBAGLBSA-N 1 0 301.368 1.012 20 5 DDBDRO Cc1nn(CCC(=O)NCCCC[NH+](C)C)c(C)c1[N+](=O)[O-] ZINC000263786993 203564280 /nfs/dbraw/zinc/56/42/80/203564280.db2.gz LENVGULKOZMVLS-UHFFFAOYSA-N 1 0 311.386 1.256 20 5 DDBDRO CCCc1n[nH]c(C(=O)NC[C@@H]2CCCC[N@@H+]2CC)c1[N+](=O)[O-] ZINC000264954367 204300901 /nfs/dbraw/zinc/30/09/01/204300901.db2.gz VCLHFWKWQWDHLX-NSHDSACASA-N 1 0 323.397 1.875 20 5 DDBDRO C[C@@H]1CN(S(=O)(=O)c2ccccc2[N+](=O)[O-])[C@@H](C)CN1C ZINC000350871359 284274492 /nfs/dbraw/zinc/27/44/92/284274492.db2.gz QAUNEPJNGGYQFU-MNOVXSKESA-N 1 0 313.379 1.308 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000351479213 284331933 /nfs/dbraw/zinc/33/19/33/284331933.db2.gz QQARQOSUXSUHMY-YNEHKIRRSA-N 1 0 318.377 1.511 20 5 DDBDRO CC[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000271689754 209127096 /nfs/dbraw/zinc/12/70/96/209127096.db2.gz QNXNVEZKIPDSLA-LSDHHAIUSA-N 1 0 304.350 1.893 20 5 DDBDRO C[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1cn[nH]c1 ZINC000274026256 211285148 /nfs/dbraw/zinc/28/51/48/211285148.db2.gz MDIZADTWPPZCIL-SNVBAGLBSA-N 1 0 303.322 1.997 20 5 DDBDRO CC(C)(C)c1ncc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)cn1 ZINC000284453140 218034134 /nfs/dbraw/zinc/03/41/34/218034134.db2.gz UMSDLVJTQSWQGG-UHFFFAOYSA-N 1 0 304.354 1.669 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000284669826 218125264 /nfs/dbraw/zinc/12/52/64/218125264.db2.gz GUTZNXJURBHRSG-KBPBESRZSA-N 1 0 307.350 1.400 20 5 DDBDRO CC(C)[C@H](CCO)[NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000273937989 211193403 /nfs/dbraw/zinc/19/34/03/211193403.db2.gz CYXPUKZINAWZAG-RISCZKNCSA-N 1 0 309.366 1.918 20 5 DDBDRO C[C@@H]([NH2+]CC(=O)NCC(F)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284877205 218217040 /nfs/dbraw/zinc/21/70/40/218217040.db2.gz BGKSWLVFLYLYBN-SSDOTTSWSA-N 1 0 302.281 1.209 20 5 DDBDRO Cc1ccc(C(=O)NC[C@](C)(O)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000352119996 284799123 /nfs/dbraw/zinc/79/91/23/284799123.db2.gz HOODCGODBCBAPH-OAHLLOKOSA-N 1 0 309.366 1.336 20 5 DDBDRO Cc1nn(C)c(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)c1[N+](=O)[O-] ZINC000106786758 194251507 /nfs/dbraw/zinc/25/15/07/194251507.db2.gz JXKQSIOHIHFUAJ-NSHDSACASA-N 1 0 321.381 1.383 20 5 DDBDRO C[NH+](C)[C@@H]1CCCN(CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000109806994 194287798 /nfs/dbraw/zinc/28/77/98/194287798.db2.gz ZAQSMYHAMPIQPH-GFCCVEGCSA-N 1 0 306.366 1.559 20 5 DDBDRO CN(C(=O)CN1CCC[C@H]([NH+](C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000109805717 194288472 /nfs/dbraw/zinc/28/84/72/194288472.db2.gz HTASMSKCIBNRHM-HNNXBMFYSA-N 1 0 320.393 1.584 20 5 DDBDRO C[C@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)[N@H+](C)C1CC1 ZINC000057706794 184048346 /nfs/dbraw/zinc/04/83/46/184048346.db2.gz AECBYLULQWFWTM-MRVPVSSYSA-N 1 0 310.329 1.529 20 5 DDBDRO COCC[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccco1 ZINC000273204723 210581733 /nfs/dbraw/zinc/58/17/33/210581733.db2.gz ANLQRSUYGCLNBR-CYBMUJFWSA-N 1 0 321.333 1.717 20 5 DDBDRO COC1CC[NH+](C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000341253738 251466127 /nfs/dbraw/zinc/46/61/27/251466127.db2.gz ASAITNVWHGRILO-UHFFFAOYSA-N 1 0 324.381 1.542 20 5 DDBDRO COc1ccc(CC(=O)N[C@H]2[C@@H](C)[NH2+]CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000567672209 304232666 /nfs/dbraw/zinc/23/26/66/304232666.db2.gz LUGPDVOOQSMHHY-LYOVBCGYSA-N 1 0 321.377 1.649 20 5 DDBDRO C[C@H]1CN(C(=O)CCOc2ccccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000269221027 207340550 /nfs/dbraw/zinc/34/05/50/207340550.db2.gz RIUOUWJKQWMCCG-RYUDHWBXSA-N 1 0 307.350 1.559 20 5 DDBDRO C[C@@H](NC(=O)COc1cccc([N+](=O)[O-])c1)[C@H]1CCC[NH2+]C1 ZINC000269229310 207350151 /nfs/dbraw/zinc/35/01/51/207350151.db2.gz VMQUUZQUDIXMRQ-NEPJUHHUSA-N 1 0 307.350 1.478 20 5 DDBDRO CCc1ccc(S(=O)(=O)N(C)[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000567851168 304247793 /nfs/dbraw/zinc/24/77/93/304247793.db2.gz XNFQQBMWKOUIPT-NSHDSACASA-N 1 0 313.379 1.140 20 5 DDBDRO C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)C1=CC[N@H+](C)CC1 ZINC000273000412 210379258 /nfs/dbraw/zinc/37/92/58/210379258.db2.gz REUVRNAYUIJANC-GFCCVEGCSA-N 1 0 303.362 1.904 20 5 DDBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)[C@H]2C1 ZINC000352590970 285161681 /nfs/dbraw/zinc/16/16/81/285161681.db2.gz PPLSADPEGVGDJS-HZMBPMFUSA-N 1 0 307.325 1.900 20 5 DDBDRO Cn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)n1 ZINC000271390275 208873508 /nfs/dbraw/zinc/87/35/08/208873508.db2.gz LALXJSXNXASNKA-GFCCVEGCSA-N 1 0 321.381 1.132 20 5 DDBDRO Cn1cc([N+](=O)[O-])c(C(=O)NCC2([NH+](C)C)CCCCC2)n1 ZINC000271412868 208892162 /nfs/dbraw/zinc/89/21/62/208892162.db2.gz OQPJTDUGQWZWKX-UHFFFAOYSA-N 1 0 309.370 1.323 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H]1CO ZINC000298134939 533138189 /nfs/dbraw/zinc/13/81/89/533138189.db2.gz NVABQJQNCSTDFI-GFCCVEGCSA-N 1 0 323.349 1.389 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)C[C@H](C)O ZINC000156302729 197102866 /nfs/dbraw/zinc/10/28/66/197102866.db2.gz QCNAANTULNRZHO-JTQLQIEISA-N 1 0 311.338 1.245 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)c1 ZINC000424025031 533212667 /nfs/dbraw/zinc/21/26/67/533212667.db2.gz WIWZLMAGTQSXRU-GHMZBOCLSA-N 1 0 307.350 1.660 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000414647744 533227522 /nfs/dbraw/zinc/22/75/22/533227522.db2.gz ACPNTRBJHINOGA-JOYOIKCWSA-N 1 0 308.338 1.723 20 5 DDBDRO C[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1cn[nH]c1 ZINC000494691740 533373000 /nfs/dbraw/zinc/37/30/00/533373000.db2.gz VLMHXMUQANOWOK-SNVBAGLBSA-N 1 0 303.322 1.997 20 5 DDBDRO COc1cc(C(=O)N2CCC[C@@H]([NH3+])[C@H]2C)cc([N+](=O)[O-])c1C ZINC000457357888 533519632 /nfs/dbraw/zinc/51/96/32/533519632.db2.gz BWNSPRJHVLIBHE-ZYHUDNBSSA-N 1 0 307.350 1.864 20 5 DDBDRO C[C@@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cn[nH]c1 ZINC000494704001 533544758 /nfs/dbraw/zinc/54/47/58/533544758.db2.gz PIWIIWVIEYRWNK-YGRLFVJLSA-N 1 0 315.333 1.774 20 5 DDBDRO CCO[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000353128942 285541797 /nfs/dbraw/zinc/54/17/97/285541797.db2.gz LZJUUXQXAOOKLS-WFASDCNBSA-N 1 0 310.350 1.887 20 5 DDBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H](C2CC2)[C@H]2CNCCO2)cc1 ZINC000422733280 296503455 /nfs/dbraw/zinc/50/34/55/296503455.db2.gz AURLRQASOFLVHM-CVEARBPZSA-N 1 0 305.378 1.494 20 5 DDBDRO O=C(NCCC1=CC[NH2+]CC1)NCc1cccc([N+](=O)[O-])c1 ZINC000568737164 304308094 /nfs/dbraw/zinc/30/80/94/304308094.db2.gz NGWXPZNCHRQMNS-UHFFFAOYSA-N 1 0 304.350 1.704 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@@H]2[C@H]2CCCOC2)c1 ZINC000569453294 304355193 /nfs/dbraw/zinc/35/51/93/304355193.db2.gz UVMIDDYHOWZRER-NWANDNLSSA-N 1 0 324.381 1.043 20 5 DDBDRO Cc1cc(S(=O)(=O)N2CC[C@@](C)(C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000261630809 407560901 /nfs/dbraw/zinc/56/09/01/407560901.db2.gz FJJHNCXCCJLBTJ-ZDUSSCGKSA-N 1 0 313.379 1.263 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)c1 ZINC000266326250 286382749 /nfs/dbraw/zinc/38/27/49/286382749.db2.gz GGUIRBWWCXXQEK-NEPJUHHUSA-N 1 0 309.366 1.495 20 5 DDBDRO Cc1nn(C)c(C(=O)NC[C@@H](CC(C)C)[NH+](C)C)c1[N+](=O)[O-] ZINC000114376821 407566851 /nfs/dbraw/zinc/56/68/51/407566851.db2.gz YUGJXMBYWSYCDC-LLVKDONJSA-N 1 0 311.386 1.343 20 5 DDBDRO Cn1cc(N2CC[C@@H]([NH2+]Cc3csc([N+](=O)[O-])c3)C2)cn1 ZINC000361012779 299791038 /nfs/dbraw/zinc/79/10/38/299791038.db2.gz OQIFHEGRCZEPKD-LLVKDONJSA-N 1 0 307.379 1.758 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H]2COCc3ccccc32)c1 ZINC000570626299 304417435 /nfs/dbraw/zinc/41/74/35/304417435.db2.gz FYDMNQLWBOJDDE-ZFWWWQNUSA-N 1 0 318.333 1.013 20 5 DDBDRO C[NH2+]C[C@H]1CCN(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000071144351 406833847 /nfs/dbraw/zinc/83/38/47/406833847.db2.gz NSFLAIKYMAVQTQ-LLVKDONJSA-N 1 0 313.379 1.133 20 5 DDBDRO COCC[N@H+](C)CCCNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000054776291 407188522 /nfs/dbraw/zinc/18/85/22/407188522.db2.gz ADDNRASNAMJVOX-UHFFFAOYSA-N 1 0 313.329 1.432 20 5 DDBDRO C[C@H](O)[C@@H]1CCCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000106865786 407363752 /nfs/dbraw/zinc/36/37/52/407363752.db2.gz GPYKWJJWLXWZFD-NOLJZWGESA-N 1 0 324.377 1.570 20 5 DDBDRO CN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@H]1CCOC1 ZINC000106884389 407365187 /nfs/dbraw/zinc/36/51/87/407365187.db2.gz REPNAHPUHKSUBA-LBPRGKRZSA-N 1 0 304.306 1.866 20 5 DDBDRO CC[N@@H+]1CC[C@@H](CNC(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000107894251 407381293 /nfs/dbraw/zinc/38/12/93/407381293.db2.gz BDRMFZCXPUSGFH-LBPRGKRZSA-N 1 0 307.350 1.432 20 5 DDBDRO C[N@@H+]1CCC[C@H]1CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000112924241 407447005 /nfs/dbraw/zinc/44/70/05/407447005.db2.gz SJUBYGVDMPESJT-HNNXBMFYSA-N 1 0 320.393 1.997 20 5 DDBDRO CN(CC(=O)N1CC[C@@](C)(C[NH3+])C1)c1ccccc1[N+](=O)[O-] ZINC000261675672 407574891 /nfs/dbraw/zinc/57/48/91/407574891.db2.gz AJHOHVVZORXIQB-HNNXBMFYSA-N 1 0 306.366 1.228 20 5 DDBDRO COc1cc(NC[C@H]2C[N@H+](C)CCN2C)c(F)cc1[N+](=O)[O-] ZINC000271100396 407513012 /nfs/dbraw/zinc/51/30/12/407513012.db2.gz PCBGEUMKXIJAAD-JTQLQIEISA-N 1 0 312.345 1.400 20 5 DDBDRO O=C(CC[N@H+]1CCC[C@@H]1CO)Nc1cc([N+](=O)[O-])ccc1F ZINC000128372649 407529205 /nfs/dbraw/zinc/52/92/05/407529205.db2.gz FPJCAMSMRUYDNP-LLVKDONJSA-N 1 0 311.313 1.519 20 5 DDBDRO C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCc2ccccc21 ZINC000266419205 407537757 /nfs/dbraw/zinc/53/77/57/407537757.db2.gz IKDZKBBSJWMWAF-HOCLYGCPSA-N 1 0 316.361 1.772 20 5 DDBDRO C[NH2+][C@H]1CCCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000261783811 407613600 /nfs/dbraw/zinc/61/36/00/407613600.db2.gz POVRXUULELZDKF-STQMWFEESA-N 1 0 320.393 1.914 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261922844 407671259 /nfs/dbraw/zinc/67/12/59/407671259.db2.gz ZADCPEIQZPNEII-TXEJJXNPSA-N 1 0 304.350 1.370 20 5 DDBDRO [NH3+][C@@H]1CCC[C@@H]2CN(CC(=O)Nc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000261955752 407689858 /nfs/dbraw/zinc/68/98/58/407689858.db2.gz XCODFOJRLIKNIN-JHJVBQTASA-N 1 0 318.377 1.593 20 5 DDBDRO COc1cc(C[NH2+]C[C@@]2(O)CCSC2)c([N+](=O)[O-])cc1O ZINC000266991121 407708913 /nfs/dbraw/zinc/70/89/13/407708913.db2.gz ALFWXJXSBBRVFO-ZDUSSCGKSA-N 1 0 314.363 1.267 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CCC3OCCCO3)CC2)cc1 ZINC000267038369 407724690 /nfs/dbraw/zinc/72/46/90/407724690.db2.gz GTTACMFVSOPKJY-UHFFFAOYSA-N 1 0 321.377 1.870 20 5 DDBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)C[C@H]21 ZINC000262065320 407728626 /nfs/dbraw/zinc/72/86/26/407728626.db2.gz FKJQGNPUUDROOH-CUOATXAZSA-N 1 0 307.325 1.933 20 5 DDBDRO O=[N+]([O-])c1ccn(CCN2CCN(Cc3ccco3)CC2)n1 ZINC000267106575 407749165 /nfs/dbraw/zinc/74/91/65/407749165.db2.gz WEKZZUPFKOIXMT-UHFFFAOYSA-N 1 0 305.338 1.202 20 5 DDBDRO CO[C@H]1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000262302682 407791672 /nfs/dbraw/zinc/79/16/72/407791672.db2.gz OUDRFWALLDRAOX-OLZOCXBDSA-N 1 0 307.350 1.102 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCC2(O)CC[NH+](C)CC2)c1 ZINC000267213121 407793701 /nfs/dbraw/zinc/79/37/01/407793701.db2.gz ZHCISMNAUIYOOI-UHFFFAOYSA-N 1 0 307.350 1.090 20 5 DDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)s1 ZINC000237987269 407864157 /nfs/dbraw/zinc/86/41/57/407864157.db2.gz MWHJBTFGQNEGDX-JVHMLUBASA-N 1 0 317.392 1.218 20 5 DDBDRO O=C(NC[C@@H]1[NH2+]CCc2ccccc21)c1ccc([N+](=O)[O-])o1 ZINC000262558842 407866188 /nfs/dbraw/zinc/86/61/88/407866188.db2.gz UTZSJVYOQSDQSR-LBPRGKRZSA-N 1 0 301.302 1.805 20 5 DDBDRO COC[C@H](O)C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000117946656 407872854 /nfs/dbraw/zinc/87/28/54/407872854.db2.gz RYQAXFFMPDCURG-SNVBAGLBSA-N 1 0 306.265 1.293 20 5 DDBDRO O=[N+]([O-])c1cc(Cl)cnc1NCC1CC[NH+](CCO)CC1 ZINC000153720986 407887487 /nfs/dbraw/zinc/88/74/87/407887487.db2.gz YWCHYYSIUWJGAI-UHFFFAOYSA-N 1 0 314.773 1.759 20 5 DDBDRO CN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCCCNC1=O ZINC000153985493 407946342 /nfs/dbraw/zinc/94/63/42/407946342.db2.gz INPQNSPQKYHIRA-ZIAGYGMSSA-N 1 0 307.350 1.229 20 5 DDBDRO CCCCC[N@H+](CCO)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000118825508 407949853 /nfs/dbraw/zinc/94/98/53/407949853.db2.gz PIAKUGUMXMEUTN-UHFFFAOYSA-N 1 0 309.366 1.678 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)c1 ZINC000268213360 407952323 /nfs/dbraw/zinc/95/23/23/407952323.db2.gz AZOSRUCRJISFRS-TZMCWYRMSA-N 1 0 320.349 1.972 20 5 DDBDRO CC(C)[N@H+](C)CCNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000119012320 407975854 /nfs/dbraw/zinc/97/58/54/407975854.db2.gz DQOZWHKLPQQVJN-UHFFFAOYSA-N 1 0 308.382 1.777 20 5 DDBDRO C[C@H](CCNC(=O)c1c([N+](=O)[O-])cnn1C)[NH+]1CCCCC1 ZINC000182256468 408106524 /nfs/dbraw/zinc/10/65/24/408106524.db2.gz SVMGQJHJMUNXEU-LLVKDONJSA-N 1 0 309.370 1.323 20 5 DDBDRO C[C@H](O)C[NH+]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000189843945 408118987 /nfs/dbraw/zinc/11/89/87/408118987.db2.gz DOBMADSFWGIUEH-YVZNUBBCSA-N 1 0 305.378 1.606 20 5 DDBDRO CC(=O)N1CCN(CCOc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000268662414 408144177 /nfs/dbraw/zinc/14/41/77/408144177.db2.gz ISODMUJPJMIFOK-GFCCVEGCSA-N 1 0 307.350 1.526 20 5 DDBDRO CC[C@@H]([NH2+]CCCNS(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000121223058 408166819 /nfs/dbraw/zinc/16/68/19/408166819.db2.gz HBPJGEGPVUTHKV-CYBMUJFWSA-N 1 0 315.395 1.575 20 5 DDBDRO C[C@@H]1C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H]2CCCC[C@H]12 ZINC000182472362 408172044 /nfs/dbraw/zinc/17/20/44/408172044.db2.gz AIGNUCMCBSSGLY-BEAPCOKYSA-N 1 0 308.382 1.663 20 5 DDBDRO CC(C)[C@@H]([NH3+])CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000269294443 408258112 /nfs/dbraw/zinc/25/81/12/408258112.db2.gz VPOVBXVEHLKNLT-AWEZNQCLSA-N 1 0 320.393 1.908 20 5 DDBDRO C[C@H](O)C[N@@H+]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000246819003 408348446 /nfs/dbraw/zinc/34/84/46/408348446.db2.gz SIZUWVKBBFPGAA-STQMWFEESA-N 1 0 321.377 1.051 20 5 DDBDRO O=C(C[C@@H]1CCC[NH2+]1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000169192099 162184051 /nfs/dbraw/zinc/18/40/51/162184051.db2.gz BZABNTIXXFIDGX-RYUDHWBXSA-N 1 0 319.365 1.145 20 5 DDBDRO C[NH+](C)[C@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])Cc1ccccc1 ZINC000158946487 408371421 /nfs/dbraw/zinc/37/14/21/408371421.db2.gz VFXVVWUATPWWTL-LBPRGKRZSA-N 1 0 317.349 1.221 20 5 DDBDRO CN(CC(=O)NCC[NH+]1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000172824473 162305857 /nfs/dbraw/zinc/30/58/57/162305857.db2.gz RZGZAKHWNNMJTJ-UHFFFAOYSA-N 1 0 306.366 1.243 20 5 DDBDRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000173118761 162322578 /nfs/dbraw/zinc/32/25/78/162322578.db2.gz VZKKAUQMUWBCIL-OAHLLOKOSA-N 1 0 305.378 1.936 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000248374873 408552933 /nfs/dbraw/zinc/55/29/33/408552933.db2.gz USQXRHZWBVNUCK-UONOGXRCSA-N 1 0 321.377 1.115 20 5 DDBDRO CCc1ccc(C(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000192497206 408599684 /nfs/dbraw/zinc/59/96/84/408599684.db2.gz NVQNTFUCDVWALF-OKILXGFUSA-N 1 0 303.362 1.791 20 5 DDBDRO C[N@H+]1C[C@H]2CN(C(=O)c3c(Cl)cccc3[N+](=O)[O-])C[C@H]2C1 ZINC000192538787 408607598 /nfs/dbraw/zinc/60/75/98/408607598.db2.gz XGTCFEKGEWGOHZ-AOOOYVTPSA-N 1 0 309.753 1.882 20 5 DDBDRO CCOc1cc(C(=O)N2CC[C@@H](C[NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000178526833 162667418 /nfs/dbraw/zinc/66/74/18/162667418.db2.gz TZJYISIIHCNHRA-JTQLQIEISA-N 1 0 323.349 1.423 20 5 DDBDRO C[NH+](C)CC1CCC(NC(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000178760080 162688839 /nfs/dbraw/zinc/68/88/39/162688839.db2.gz OSULFDDXOMPQAF-UHFFFAOYSA-N 1 0 309.370 1.028 20 5 DDBDRO CC(C)[C@H](CCO)[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000161832818 408644062 /nfs/dbraw/zinc/64/40/62/408644062.db2.gz DOYJAHSYLZIEKO-AWEZNQCLSA-N 1 0 321.377 1.481 20 5 DDBDRO Nc1ccc([N+](=O)[O-])c(N2CCC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000192793492 408650680 /nfs/dbraw/zinc/65/06/80/408650680.db2.gz QTZCDSCTSORAJV-ZDUSSCGKSA-N 1 0 320.393 1.726 20 5 DDBDRO C[NH+](C)Cc1cccc(NC(=O)c2cc([N+](=O)[O-])cnc2N)c1 ZINC000183455684 306711131 /nfs/dbraw/zinc/71/11/31/306711131.db2.gz GFXBWNWJTBCWRV-UHFFFAOYSA-N 1 0 315.333 1.886 20 5 DDBDRO CN(CC[N@H+](C)C1CC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000185238064 408785126 /nfs/dbraw/zinc/78/51/26/408785126.db2.gz VSWROTAXWRPQDR-UHFFFAOYSA-N 1 0 313.379 1.310 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCCC[C@@H]1CCO ZINC000194363763 408778946 /nfs/dbraw/zinc/77/89/46/408778946.db2.gz RRXQJFBHQZREMB-KGLIPLIRSA-N 1 0 324.377 1.571 20 5 DDBDRO CCCN(CCC[NH+](C)C)C(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000276284811 408828891 /nfs/dbraw/zinc/82/88/91/408828891.db2.gz CEWVIYCJXHWRNR-UHFFFAOYSA-N 1 0 311.386 1.441 20 5 DDBDRO CCN(CCC[NH+]1CCCC1)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000276371502 408844827 /nfs/dbraw/zinc/84/48/27/408844827.db2.gz BVFUSDUQKARTPB-UHFFFAOYSA-N 1 0 309.370 1.126 20 5 DDBDRO C[C@@H](CNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)C[NH+](C)C ZINC000291891221 408940117 /nfs/dbraw/zinc/94/01/17/408940117.db2.gz PDHOMLAXZHXUIV-JTQLQIEISA-N 1 0 315.395 1.608 20 5 DDBDRO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000237966178 163394244 /nfs/dbraw/zinc/39/42/44/163394244.db2.gz XYCQFXMTNVFQPY-ZACCUICWSA-N 1 0 320.305 1.516 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCC[NH+]2CCCCC2)n1 ZINC000286258951 408950400 /nfs/dbraw/zinc/95/04/00/408950400.db2.gz VRBVLKIUYQBOJL-UHFFFAOYSA-N 1 0 308.338 1.674 20 5 DDBDRO C[NH+](C)C[C@](C)(O)CNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000286283661 408955720 /nfs/dbraw/zinc/95/57/20/408955720.db2.gz RKJHHQJRAGAPOP-GFCCVEGCSA-N 1 0 311.367 1.324 20 5 DDBDRO Cn1cc([C@@H]2C[N@H+](Cc3ccccc3[N+](=O)[O-])C[C@H]2CO)cn1 ZINC000277860936 409025464 /nfs/dbraw/zinc/02/54/64/409025464.db2.gz UEIBAXCCOCEKLX-GJZGRUSLSA-N 1 0 316.361 1.536 20 5 DDBDRO Cc1cc(C(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)c(N)c([N+](=O)[O-])c1 ZINC000293592312 409144101 /nfs/dbraw/zinc/14/41/01/409144101.db2.gz BETPJGDQDAICFN-INIZCTEOSA-N 1 0 318.377 1.653 20 5 DDBDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)c3ccc(N)c([N+](=O)[O-])c3)C2)C1 ZINC000293658820 409156224 /nfs/dbraw/zinc/15/62/24/409156224.db2.gz HQKKBJHMAXEYDE-OAHLLOKOSA-N 1 0 304.350 1.345 20 5 DDBDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000283472024 409163489 /nfs/dbraw/zinc/16/34/89/409163489.db2.gz MKNCXEAKVAZJPI-JTQLQIEISA-N 1 0 324.356 1.920 20 5 DDBDRO C[C@]1(C[NH3+])CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000261674026 163682443 /nfs/dbraw/zinc/68/24/43/163682443.db2.gz GMFPFORHFLHKMC-CYBMUJFWSA-N 1 0 313.379 1.095 20 5 DDBDRO CNC(=O)[C@@]1(C)CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000280497851 409328928 /nfs/dbraw/zinc/32/89/28/409328928.db2.gz BAQXHSBFIMSXJI-HNNXBMFYSA-N 1 0 307.350 1.432 20 5 DDBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)CC(C)(C)CO ZINC000295293469 409415896 /nfs/dbraw/zinc/41/58/96/409415896.db2.gz UJFAOYZZPYKVTK-NSHDSACASA-N 1 0 309.366 1.872 20 5 DDBDRO NC(=O)c1ccnc(NC2CC[NH+](CC3CC3)CC2)c1[N+](=O)[O-] ZINC000290585754 409453192 /nfs/dbraw/zinc/45/31/92/409453192.db2.gz WPSZSPYAAFWAJZ-UHFFFAOYSA-N 1 0 319.365 1.375 20 5 DDBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000285489382 409463847 /nfs/dbraw/zinc/46/38/47/409463847.db2.gz INYUAUSKDDOWIX-DZGCQCFKSA-N 1 0 320.393 1.315 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@H](C)C[NH+](C)C ZINC000344922376 409558749 /nfs/dbraw/zinc/55/87/49/409558749.db2.gz SGBFHORTMKDHIZ-LLVKDONJSA-N 1 0 315.395 1.440 20 5 DDBDRO Cn1cc(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cn1 ZINC000331550699 409626548 /nfs/dbraw/zinc/62/65/48/409626548.db2.gz GWTFUSHYSFRFNC-STQMWFEESA-N 1 0 304.354 1.798 20 5 DDBDRO C[NH+](C)C1(CNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CCC1 ZINC000331505400 409580064 /nfs/dbraw/zinc/58/00/64/409580064.db2.gz OXRIFDRYIRWQQB-UHFFFAOYSA-N 1 0 309.370 1.127 20 5 DDBDRO C[C@H]([NH2+][C@@H]1CCCN(C)[C@H]1C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000342709356 409834027 /nfs/dbraw/zinc/83/40/27/409834027.db2.gz JUMUHURTZHADPT-SLEUVZQESA-N 1 0 320.393 1.994 20 5 DDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357078625 409852266 /nfs/dbraw/zinc/85/22/66/409852266.db2.gz RKDNZEIVKUJFOW-UPJWGTAASA-N 1 0 318.377 1.463 20 5 DDBDRO CC[N@@H+]1CCC[C@H](CNC(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000354371978 409802679 /nfs/dbraw/zinc/80/26/79/409802679.db2.gz LCBIOUGEKGJWLR-LLVKDONJSA-N 1 0 306.366 1.639 20 5 DDBDRO CC[C@@H](C)[NH+]1CCN(C(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000297851362 410022724 /nfs/dbraw/zinc/02/27/24/410022724.db2.gz SSZQGFOGCDYNOR-LLVKDONJSA-N 1 0 307.354 1.938 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CCCC[C@H]2C[NH+](C)C)n1 ZINC000191802091 306724435 /nfs/dbraw/zinc/72/44/35/306724435.db2.gz IKYCWYJQFIJFTM-NSHDSACASA-N 1 0 309.370 1.368 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@H](O)[C@@H](C)C1 ZINC000351776426 410224232 /nfs/dbraw/zinc/22/42/32/410224232.db2.gz BAXXJDIMACJHPG-GWCFXTLKSA-N 1 0 323.349 1.245 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[N@H+](C)CC1 ZINC000298654287 410330471 /nfs/dbraw/zinc/33/04/71/410330471.db2.gz FRFWSRYFYGJODF-UHFFFAOYSA-N 1 0 322.365 1.179 20 5 DDBDRO C[C@@H]1[C@@H](NC(=O)COc2ccccc2[N+](=O)[O-])CCC[N@@H+]1C ZINC000343464887 410474802 /nfs/dbraw/zinc/47/48/02/410474802.db2.gz YVUPJVFNUCZCRI-NEPJUHHUSA-N 1 0 307.350 1.573 20 5 DDBDRO C[C@@]12CCC[N@@H+]1C[C@H](c1noc(-c3ccc([N+](=O)[O-])[nH]3)n1)OC2 ZINC000347343744 410484327 /nfs/dbraw/zinc/48/43/27/410484327.db2.gz SSYNBEYMYRCTFS-YGRLFVJLSA-N 1 0 319.321 1.899 20 5 DDBDRO C[C@H]1[C@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2)CCC[N@@H+]1C ZINC000343612232 410570347 /nfs/dbraw/zinc/57/03/47/410570347.db2.gz VNXXGSLPKKRKBI-SMDDNHRTSA-N 1 0 306.366 1.877 20 5 DDBDRO C[N@H+](CC(=O)NCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCSC1 ZINC000339974930 410589968 /nfs/dbraw/zinc/58/99/68/410589968.db2.gz FETCZKXPOUJPCO-CYBMUJFWSA-N 1 0 309.391 1.648 20 5 DDBDRO C[N@@H+]1CCC[C@@H](CNc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 ZINC000301075482 410649715 /nfs/dbraw/zinc/64/97/15/410649715.db2.gz BLLYGSMMXQVQSX-JTQLQIEISA-N 1 0 320.349 1.679 20 5 DDBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000301087135 410652536 /nfs/dbraw/zinc/65/25/36/410652536.db2.gz FGKXYKZPYIVPPS-OAHLLOKOSA-N 1 0 321.425 1.982 20 5 DDBDRO C[C@@H]1C[N@@H+](C2CCN(c3ncccc3[N+](=O)[O-])CC2)CCO1 ZINC000301117292 410658277 /nfs/dbraw/zinc/65/82/77/410658277.db2.gz WWHHFCPAILHPDO-GFCCVEGCSA-N 1 0 306.366 1.679 20 5 DDBDRO CC[NH+]1CCC(N(C)c2ccc(C(=O)NC)cc2[N+](=O)[O-])CC1 ZINC000301291115 410691875 /nfs/dbraw/zinc/69/18/75/410691875.db2.gz UAMJGBKWGNAXOB-UHFFFAOYSA-N 1 0 320.393 1.875 20 5 DDBDRO CCC(=O)c1ccc(NC[C@]2(O)CC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC000359564391 410733396 /nfs/dbraw/zinc/73/33/96/410733396.db2.gz KWNWROSKKMKORO-OAHLLOKOSA-N 1 0 307.350 1.666 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC[C@@H]2c2ccccc2)c1 ZINC000353046451 410755584 /nfs/dbraw/zinc/75/55/84/410755584.db2.gz AROHVGADWQJTLB-LSDHHAIUSA-N 1 0 302.334 1.599 20 5 DDBDRO Cc1n[nH]c(C(=O)NCC(C)(C)[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000337405735 410763114 /nfs/dbraw/zinc/76/31/14/410763114.db2.gz MSFAUTBSJOQCKP-UHFFFAOYSA-N 1 0 309.370 1.621 20 5 DDBDRO C[NH+](C)C1(CNc2ccc3ncc([N+](=O)[O-])n3n2)CCCCC1 ZINC000347901629 410782897 /nfs/dbraw/zinc/78/28/97/410782897.db2.gz BARXMZULIDDBGT-UHFFFAOYSA-N 1 0 318.381 2.314 20 5 DDBDRO Cc1cc(NC2CC[NH+]([C@H]3CCOC3)CC2)ncc1[N+](=O)[O-] ZINC000301733468 410784037 /nfs/dbraw/zinc/78/40/37/410784037.db2.gz UEJLEGJFQXCWCV-ZDUSSCGKSA-N 1 0 306.366 1.963 20 5 DDBDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000348180923 410839452 /nfs/dbraw/zinc/83/94/52/410839452.db2.gz IZPXADJUXWCLMG-NEPJUHHUSA-N 1 0 307.350 1.608 20 5 DDBDRO Cn1nc([N+](=O)[O-])cc1C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000356165999 410873901 /nfs/dbraw/zinc/87/39/01/410873901.db2.gz JUQMZPVLIDEFJC-UHFFFAOYSA-N 1 0 323.397 1.713 20 5 DDBDRO Cc1n[nH]c(C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000341165065 410909193 /nfs/dbraw/zinc/90/91/93/410909193.db2.gz JKIFTSWBIGPKFM-GFCCVEGCSA-N 1 0 321.381 1.717 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)N2CC[N@H+](C)[C@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000331189893 411007335 /nfs/dbraw/zinc/00/73/35/411007335.db2.gz ZTTJHIQPUJUPRU-NSHDSACASA-N 1 0 323.397 1.854 20 5 DDBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CC[C@H](CO)C1 ZINC000348568599 411021142 /nfs/dbraw/zinc/02/11/42/411021142.db2.gz CDHHQECVRZDVKG-NSHDSACASA-N 1 0 321.333 1.207 20 5 DDBDRO Cc1nn(CCC(=O)NC2CCC([NH3+])CC2)c(C)c1[N+](=O)[O-] ZINC000131930632 196211173 /nfs/dbraw/zinc/21/11/73/196211173.db2.gz ZQQJWSUTNYPVAO-UHFFFAOYSA-N 1 0 309.370 1.184 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NCCCN1CC[NH2+]CC1 ZINC000415491660 224620388 /nfs/dbraw/zinc/62/03/88/224620388.db2.gz BECZADRAIDMGQK-UHFFFAOYSA-N 1 0 321.381 1.320 20 5 DDBDRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000417238243 225258707 /nfs/dbraw/zinc/25/87/07/225258707.db2.gz YCAXZMYCSAEMSQ-RISCZKNCSA-N 1 0 306.366 1.435 20 5 DDBDRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000418577001 225808492 /nfs/dbraw/zinc/80/84/92/225808492.db2.gz OQKYRMKHEUPKNQ-YPMHNXCESA-N 1 0 306.366 1.734 20 5 DDBDRO C[NH+](C)[C@@H]1CCC[C@H](Nc2c(C(N)=O)cccc2[N+](=O)[O-])C1 ZINC000420598834 226515498 /nfs/dbraw/zinc/51/54/98/226515498.db2.gz KHQDRVOJSBWBEU-WDEREUQCSA-N 1 0 306.366 1.978 20 5 DDBDRO C[C@H]1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)[C@@H](C)[C@H]1[NH3+] ZINC000297328925 227015696 /nfs/dbraw/zinc/01/56/96/227015696.db2.gz HMINTNJQTSIENR-PGUXBMHVSA-N 1 0 307.350 1.558 20 5 DDBDRO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCC1CC[NH2+]CC1 ZINC000297347130 227043643 /nfs/dbraw/zinc/04/36/43/227043643.db2.gz YXVUDSLALGMACG-UHFFFAOYSA-N 1 0 316.361 1.734 20 5 DDBDRO Cc1c(CC(=O)NC[C@@H](C2CC2)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000162192498 221723040 /nfs/dbraw/zinc/72/30/40/221723040.db2.gz YTAYTDLZTHZDQF-HNNXBMFYSA-N 1 0 305.378 1.902 20 5 DDBDRO C[C@@H]1OCC[C@@]12C[N@H+](CCn1ccc([N+](=O)[O-])n1)C[C@@H](C)O2 ZINC000366085790 418428522 /nfs/dbraw/zinc/42/85/22/418428522.db2.gz HCLAASYLJSHRBE-MBNYWOFBSA-N 1 0 310.354 1.060 20 5 DDBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H]2C(=O)NC(=O)[C@H]2C1 ZINC000366332972 418458709 /nfs/dbraw/zinc/45/87/09/418458709.db2.gz PNBADEOIFUWTCF-JLLWLGSASA-N 1 0 303.318 1.250 20 5 DDBDRO C[C@@H](CO)[N@@H+]1CCCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000366907716 418534698 /nfs/dbraw/zinc/53/46/98/418534698.db2.gz BEPIGPRCFAWMFM-LBPRGKRZSA-N 1 0 311.357 1.622 20 5 DDBDRO COc1ccc(OCCN2CC[C@@H](C[NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000173745589 418518289 /nfs/dbraw/zinc/51/82/89/418518289.db2.gz WAGIETBGVSCFNX-ZDUSSCGKSA-N 1 0 323.393 1.866 20 5 DDBDRO CCn1c(C)nc([N+](=O)[O-])c1NCCCN1CC[NH+](C)CC1 ZINC000360892227 418541916 /nfs/dbraw/zinc/54/19/16/418541916.db2.gz BOSQOBWGXSKDNR-UHFFFAOYSA-N 1 0 310.402 1.169 20 5 DDBDRO CC[N@@H+]1CC[C@H](CNC(=O)c2cccc(OC)c2[N+](=O)[O-])C1 ZINC000195442160 222201960 /nfs/dbraw/zinc/20/19/60/222201960.db2.gz SWXNBUFDDUAHGZ-LLVKDONJSA-N 1 0 307.350 1.675 20 5 DDBDRO CCCC[N@H+](C)C[C@H](C)Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000291190120 222208352 /nfs/dbraw/zinc/20/83/52/222208352.db2.gz SRLAKKSUEBRMHP-JTQLQIEISA-N 1 0 309.370 1.621 20 5 DDBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000367839362 418643899 /nfs/dbraw/zinc/64/38/99/418643899.db2.gz AMSJYLOTNJUMMD-JQWIXIFHSA-N 1 0 319.365 1.271 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000361630094 418693890 /nfs/dbraw/zinc/69/38/90/418693890.db2.gz SILWVMMRZGCPMN-NEPJUHHUSA-N 1 0 319.361 1.960 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCc2ccc(Cl)cc2)c1 ZINC000385763119 418737491 /nfs/dbraw/zinc/73/74/91/418737491.db2.gz IFQUZTBZEJOIBX-AWEZNQCLSA-N 1 0 324.768 1.638 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCCCN1CC[NH2+]CC1 ZINC000422715832 227132617 /nfs/dbraw/zinc/13/26/17/227132617.db2.gz JLQXWCLXHWNYEH-UHFFFAOYSA-N 1 0 320.393 1.237 20 5 DDBDRO O=C(N[C@H]1CCC[NH2+]C1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000422737654 227143567 /nfs/dbraw/zinc/14/35/67/227143567.db2.gz XQBUGYMLZNTCMI-JTQLQIEISA-N 1 0 300.318 1.625 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H]1CCO[C@@H]1C1CC1 ZINC000365340734 418852531 /nfs/dbraw/zinc/85/25/31/418852531.db2.gz BZKBEVUTNJOURW-DVOMOZLQSA-N 1 0 322.361 1.492 20 5 DDBDRO CN(CC(=O)N[C@@H]1CCC[NH2+]CC1)c1ccccc1[N+](=O)[O-] ZINC000372420188 418867823 /nfs/dbraw/zinc/86/78/23/418867823.db2.gz GBVASBVFNLJFFF-GFCCVEGCSA-N 1 0 306.366 1.289 20 5 DDBDRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000424466085 228278686 /nfs/dbraw/zinc/27/86/86/228278686.db2.gz SUAKTDGJWISLBY-ZIAGYGMSSA-N 1 0 306.366 1.706 20 5 DDBDRO C[C@@H]1C[C@H](CO)C[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000420929416 419362292 /nfs/dbraw/zinc/36/22/92/419362292.db2.gz BJNRJJAFFNBGPT-HZSPNIEDSA-N 1 0 324.377 1.285 20 5 DDBDRO [NH3+][C@H]1CCC[C@H](CNC(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000417937802 419400341 /nfs/dbraw/zinc/40/03/41/419400341.db2.gz IZHATBSEHHLPEP-KBPBESRZSA-N 1 0 320.393 1.954 20 5 DDBDRO C[C@@H]1CC[C@@H](O)C[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000421002937 419442674 /nfs/dbraw/zinc/44/26/74/419442674.db2.gz BYHULHAPJANSOQ-MRVWCRGKSA-N 1 0 310.350 1.180 20 5 DDBDRO C[C@H](NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000417983171 419448353 /nfs/dbraw/zinc/44/83/53/419448353.db2.gz NSMHOZNMTNYHQX-GMXVVIOVSA-N 1 0 306.366 1.953 20 5 DDBDRO COC(=O)[C@H]1CN([C@@H](C)c2cccc([N+](=O)[O-])c2)CC[N@H+](C)C1 ZINC000411910613 419469125 /nfs/dbraw/zinc/46/91/25/419469125.db2.gz SLBXIWUVPZYWHL-GXTWGEPZSA-N 1 0 321.377 1.692 20 5 DDBDRO C[NH2+]CCNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000418086135 419520355 /nfs/dbraw/zinc/52/03/55/419520355.db2.gz BVGNSPFKGFCOKL-UHFFFAOYSA-N 1 0 320.271 1.632 20 5 DDBDRO O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)NC[C@H]1CCC[NH2+]1 ZINC000418080071 419516674 /nfs/dbraw/zinc/51/66/74/419516674.db2.gz BWAKGCWIADSVRS-SECBINFHSA-N 1 0 318.337 1.022 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000428999780 228776835 /nfs/dbraw/zinc/77/68/35/228776835.db2.gz VZANGKIVQPLRCZ-MNOVXSKESA-N 1 0 307.350 1.721 20 5 DDBDRO Cc1n[nH]c(C(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000299529278 229184568 /nfs/dbraw/zinc/18/45/68/229184568.db2.gz LJMHPMTVSDYRGR-VHSXEESVSA-N 1 0 309.370 1.477 20 5 DDBDRO C[C@@H]([NH2+]CC(=O)NC[C@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000299612904 229261651 /nfs/dbraw/zinc/26/16/51/229261651.db2.gz JAHNIGNPMMQGTP-BXUZGUMPSA-N 1 0 307.350 1.541 20 5 DDBDRO O=[N+]([O-])c1ccccc1-c1ccc(CNC[C@@H]2C[NH2+]CCO2)o1 ZINC000415095186 419939031 /nfs/dbraw/zinc/93/90/31/419939031.db2.gz LRVNQKZYXDLGFH-ZDUSSCGKSA-N 1 0 317.345 1.933 20 5 DDBDRO CC(C)[C@@H]([NH3+])CN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000423278874 420001723 /nfs/dbraw/zinc/00/17/23/420001723.db2.gz RGKNPHUZOHIROR-GJZGRUSLSA-N 1 0 317.393 1.991 20 5 DDBDRO CCOC(=O)c1cc(C(=O)NC[C@@H](C)[NH2+]C)cc([N+](=O)[O-])c1 ZINC000423633695 420106825 /nfs/dbraw/zinc/10/68/25/420106825.db2.gz POBCBZKOYJXFQH-SECBINFHSA-N 1 0 309.322 1.109 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000415576422 420115636 /nfs/dbraw/zinc/11/56/36/420115636.db2.gz GEBBFLJPBLXECG-NSHDSACASA-N 1 0 308.338 1.322 20 5 DDBDRO COC(=O)c1cc(C(=O)N[C@@H](C)CCC[NH3+])cc([N+](=O)[O-])c1 ZINC000423662716 420119835 /nfs/dbraw/zinc/11/98/35/420119835.db2.gz FPYJBXHGPSXLOF-VIFPVBQESA-N 1 0 309.322 1.239 20 5 DDBDRO COc1cccc(C(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000423692354 420129506 /nfs/dbraw/zinc/12/95/06/420129506.db2.gz GAKDJAPTKQXCRH-MNOVXSKESA-N 1 0 307.350 1.851 20 5 DDBDRO O=[N+]([O-])c1ccc(-c2noc(NC[C@H]3CCC[NH2+]C3)n2)cc1 ZINC000420168687 420140281 /nfs/dbraw/zinc/14/02/81/420140281.db2.gz LHYYZIVZQAFGNS-JTQLQIEISA-N 1 0 303.322 2.056 20 5 DDBDRO C[C@@H]1[NH2+]CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000420317529 420202041 /nfs/dbraw/zinc/20/20/41/420202041.db2.gz UXMQSWMIHQERND-RYUDHWBXSA-N 1 0 306.366 1.606 20 5 DDBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000430924116 420206141 /nfs/dbraw/zinc/20/61/41/420206141.db2.gz HJRJQFWAENAXCV-UTUOFQBUSA-N 1 0 306.366 1.604 20 5 DDBDRO COc1ccc(NC(=O)CN2CC[C@@H]([NH3+])[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000430927065 420208994 /nfs/dbraw/zinc/20/89/94/420208994.db2.gz HWHCSLQUEQLVMD-ZYHUDNBSSA-N 1 0 322.365 1.211 20 5 DDBDRO [NH3+]C[C@@H]1CCCN1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000430580994 420145061 /nfs/dbraw/zinc/14/50/61/420145061.db2.gz NGAMPGSMZDDZED-LBPRGKRZSA-N 1 0 320.349 1.316 20 5 DDBDRO C[NH2+]C[C@@H](C)CNc1cc(CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000420214386 420153539 /nfs/dbraw/zinc/15/35/39/420153539.db2.gz VMBVHBGGSFUVDT-CYBMUJFWSA-N 1 0 322.409 1.694 20 5 DDBDRO COc1cc(C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)cc([N+](=O)[O-])c1C ZINC000423745066 420154722 /nfs/dbraw/zinc/15/47/22/420154722.db2.gz NKYNTDRCRBBCOH-PWSUYJOCSA-N 1 0 307.350 1.769 20 5 DDBDRO [NH3+][C@H]1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000430641257 420166472 /nfs/dbraw/zinc/16/64/72/420166472.db2.gz LSLMGTUTUJTYHN-LBPRGKRZSA-N 1 0 302.334 1.825 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NC[C@@H]1C[NH2+]CCN1C ZINC000420273231 420177759 /nfs/dbraw/zinc/17/77/59/420177759.db2.gz LUJSFNCNHRHGGU-NSHDSACASA-N 1 0 322.365 1.005 20 5 DDBDRO [NH3+]C[C@@H](Nc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CCCC1 ZINC000420279105 420178574 /nfs/dbraw/zinc/17/85/74/420178574.db2.gz OONRQWLRAITVIV-CYBMUJFWSA-N 1 0 317.349 2.574 20 5 DDBDRO C[C@H](N[C@@H]1[C@H](C)CC[NH2+][C@@H]1C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000420363792 420237407 /nfs/dbraw/zinc/23/74/07/420237407.db2.gz JUBSTICJFLLSIG-MCYUEQNJSA-N 1 0 320.393 1.898 20 5 DDBDRO CCN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1CCC[NH2+]CC1 ZINC000435626326 420267767 /nfs/dbraw/zinc/26/77/67/420267767.db2.gz KNHWYOIGSTYVGE-AWEZNQCLSA-N 1 0 320.393 1.658 20 5 DDBDRO C[C@H]([NH3+])[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000420434733 420283476 /nfs/dbraw/zinc/28/34/76/420283476.db2.gz FJNAHYPBHMVHQH-IUCAKERBSA-N 1 0 324.362 1.157 20 5 DDBDRO O=c1oc(-c2ccc([N+](=O)[O-])cc2)nn1CCC[NH+]1CCCC1 ZINC000436200665 420314156 /nfs/dbraw/zinc/31/41/56/420314156.db2.gz YRZVQPVGLBVGMJ-UHFFFAOYSA-N 1 0 318.333 1.897 20 5 DDBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000420804828 420398128 /nfs/dbraw/zinc/39/81/28/420398128.db2.gz ACLCDAYYTZZNJT-HNNXBMFYSA-N 1 0 320.393 1.873 20 5 DDBDRO Cc1ccc(S(=O)(=O)NC(C)(C)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000416507045 420400933 /nfs/dbraw/zinc/40/09/33/420400933.db2.gz IQPZKLFYSLKRQT-UHFFFAOYSA-N 1 0 315.395 1.522 20 5 DDBDRO C[NH+](C)CCOCCNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000492370144 420537612 /nfs/dbraw/zinc/53/76/12/420537612.db2.gz QQGDJNALSCHOAR-YVMONPNESA-N 1 0 307.350 1.302 20 5 DDBDRO C[N@H+]1CC=C(CNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000492384912 420540801 /nfs/dbraw/zinc/54/08/01/420540801.db2.gz HBKMBITUWLKJSG-AATRIKPKSA-N 1 0 301.346 1.986 20 5 DDBDRO COc1c(C(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000452985396 420695255 /nfs/dbraw/zinc/69/52/55/420695255.db2.gz HUKKOUKKBIKCMM-GXFFZTMASA-N 1 0 305.334 1.380 20 5 DDBDRO Cc1n[nH]c(CC[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)n1 ZINC000447604755 420785361 /nfs/dbraw/zinc/78/53/61/420785361.db2.gz CTRCRBOHDFFANU-NEPJUHHUSA-N 1 0 319.369 1.534 20 5 DDBDRO CNc1nc(C(=O)N2CC[NH+](CC(C)C)CC2)ccc1[N+](=O)[O-] ZINC000454368629 420848538 /nfs/dbraw/zinc/84/85/38/420848538.db2.gz OXFYRYWDYBLSHL-UHFFFAOYSA-N 1 0 321.381 1.445 20 5 DDBDRO CC[C@@H]1OCC[C@H]1[NH2+]CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000459765483 420868602 /nfs/dbraw/zinc/86/86/02/420868602.db2.gz CUPZOIQEMQIUNB-OCCSQVGLSA-N 1 0 323.349 1.699 20 5 DDBDRO C[C@@H]1C[NH2+]C[C@H](C)N1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000493550605 420879510 /nfs/dbraw/zinc/87/95/10/420879510.db2.gz RDIRNLYTFCRYTK-TXEJJXNPSA-N 1 0 318.377 1.166 20 5 DDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCNc1cnccn1 ZINC000449196787 420967802 /nfs/dbraw/zinc/96/78/02/420967802.db2.gz ZAAFPWGTBTUWFF-LBPRGKRZSA-N 1 0 301.350 2.018 20 5 DDBDRO [NH3+]C[C@@H]1CN(C(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])CCCO1 ZINC000493719503 420924235 /nfs/dbraw/zinc/92/42/35/420924235.db2.gz ILOIEEGPILOKPJ-MASHWEEQSA-N 1 0 323.324 1.323 20 5 DDBDRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000487494258 421031746 /nfs/dbraw/zinc/03/17/46/421031746.db2.gz DDJFZZMCEULKSW-GXSJLCMTSA-N 1 0 317.349 1.285 20 5 DDBDRO CCOc1ccc(C(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000456173580 421113493 /nfs/dbraw/zinc/11/34/93/421113493.db2.gz ULUQZDFVRBNBFH-GXTWGEPZSA-N 1 0 319.361 1.770 20 5 DDBDRO CO[C@@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1OC ZINC000488018707 421063351 /nfs/dbraw/zinc/06/33/51/421063351.db2.gz UHGOGQASTJXRFN-OKILXGFUSA-N 1 0 323.349 1.269 20 5 DDBDRO O=C(NC[C@@H]1C[NH2+]CCCO1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000449710185 421065374 /nfs/dbraw/zinc/06/53/74/421065374.db2.gz LYAIGHBJYZLKOB-LBPRGKRZSA-N 1 0 319.317 1.449 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1NC[C@H]1CCC[N@H+]1CCCO)CCN2 ZINC000450591776 421214398 /nfs/dbraw/zinc/21/43/98/421214398.db2.gz GKZLZZNYXYFARS-GFCCVEGCSA-N 1 0 320.393 1.822 20 5 DDBDRO COCC[N@H+](C)CCCNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000562393869 421361769 /nfs/dbraw/zinc/36/17/69/421361769.db2.gz ZOGVRMRSAAEJKA-ZDUSSCGKSA-N 1 0 323.393 1.783 20 5 DDBDRO O=C(CC[NH2+]CC1CCOCC1)Nc1ccccc1[N+](=O)[O-] ZINC000562988123 421434808 /nfs/dbraw/zinc/43/48/08/421434808.db2.gz UDLHDMGCHURVPP-UHFFFAOYSA-N 1 0 307.350 1.940 20 5 DDBDRO CN1C[C@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CCC1=O ZINC000562994732 421436039 /nfs/dbraw/zinc/43/60/39/421436039.db2.gz CZSRGQMWSCCLPG-LLVKDONJSA-N 1 0 320.349 1.134 20 5 DDBDRO CC[N@H+]1C[C@@H](C)N(C(=O)c2cccc([N+](=O)[O-])c2N)[C@@H](C)C1 ZINC000515310698 421491277 /nfs/dbraw/zinc/49/12/77/421491277.db2.gz YJCRQJQQVAEOII-PHIMTYICSA-N 1 0 306.366 1.732 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]Cc1ccncc1 ZINC000551816630 421544687 /nfs/dbraw/zinc/54/46/87/421544687.db2.gz BZJLNEYATIDXDW-ZDUSSCGKSA-N 1 0 303.318 1.519 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CC[C@@H]1CCCCO1 ZINC000564202950 421574266 /nfs/dbraw/zinc/57/42/66/421574266.db2.gz IJAIDVIYZWDTNJ-KGLIPLIRSA-N 1 0 324.377 1.883 20 5 DDBDRO C[C@@H]1CC[N@H+](CC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000553556998 421620093 /nfs/dbraw/zinc/62/00/93/421620093.db2.gz QQTHRDVLZRLAFE-GFCCVEGCSA-N 1 0 319.361 1.526 20 5 DDBDRO C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])cn2C)C[C@@H](C)C1 ZINC000554128842 421633257 /nfs/dbraw/zinc/63/32/57/421633257.db2.gz SWZXXCGQGZBWGH-SGMGOOAPSA-N 1 0 320.393 1.736 20 5 DDBDRO O=C1NCC[C@H]1CC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000570630528 421659246 /nfs/dbraw/zinc/65/92/46/421659246.db2.gz UDGYWVXPSUTIRB-ZDUSSCGKSA-N 1 0 318.377 1.243 20 5 DDBDRO COc1cccc(C(=O)N2CC[C@H](OC)C[C@H]2C[NH3+])c1[N+](=O)[O-] ZINC000518756389 421664420 /nfs/dbraw/zinc/66/44/20/421664420.db2.gz HLJMEXBIANWYQQ-QWRGUYRKSA-N 1 0 323.349 1.182 20 5 DDBDRO C[NH2+]C[C@@H](C)C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000566169895 421603715 /nfs/dbraw/zinc/60/37/15/421603715.db2.gz USODGCMYEZXNLY-SECBINFHSA-N 1 0 303.322 1.779 20 5 DDBDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000571268784 421701714 /nfs/dbraw/zinc/70/17/14/421701714.db2.gz UXZUGZNIEPLWGM-JTQLQIEISA-N 1 0 308.338 1.156 20 5 DDBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000539792262 421753624 /nfs/dbraw/zinc/75/36/24/421753624.db2.gz CXGLFJCTHOCHLH-NSHDSACASA-N 1 0 306.366 1.792 20 5 DDBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000543580428 421838937 /nfs/dbraw/zinc/83/89/37/421838937.db2.gz BLQOTUPONTYYMR-NSHDSACASA-N 1 0 306.366 1.639 20 5 DDBDRO C[C@H](CNc1ncc([N+](=O)[O-])s1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000594590768 422351703 /nfs/dbraw/zinc/35/17/03/422351703.db2.gz ATKJTMYBCAXWHO-BBBLOLIVSA-N 1 0 300.384 1.961 20 5 DDBDRO COC(=O)c1cc(NC(=O)[C@@H]2CC[NH2+][C@H]2C)cc([N+](=O)[O-])c1 ZINC000579110487 422708883 /nfs/dbraw/zinc/70/88/83/422708883.db2.gz WUDLWROMDKAALL-QPUJVOFHSA-N 1 0 307.306 1.318 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000332253289 271033554 /nfs/dbraw/zinc/03/35/54/271033554.db2.gz MJJUUVWLZXSUKG-KBPBESRZSA-N 1 0 319.361 1.960 20 5 DDBDRO COCC[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)(C)C ZINC000338377399 271043010 /nfs/dbraw/zinc/04/30/10/271043010.db2.gz IJUIUJWDYIFOFR-CHWSQXEVSA-N 1 0 314.386 1.193 20 5 DDBDRO [NH3+]C1(CN[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CCC1 ZINC000342109304 271299326 /nfs/dbraw/zinc/29/93/26/271299326.db2.gz RFTCFWLYGXBMEJ-CYBMUJFWSA-N 1 0 304.350 1.171 20 5 DDBDRO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])n2C)CC[N@@H+](C2CCC2)C1 ZINC000344779120 272116152 /nfs/dbraw/zinc/11/61/52/272116152.db2.gz UBHLKWZQEUIXSO-LBPRGKRZSA-N 1 0 320.393 1.880 20 5 DDBDRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000237372049 274238592 /nfs/dbraw/zinc/23/85/92/274238592.db2.gz PGEXQKUKFZQQAM-RNCFNFMXSA-N 1 0 322.321 1.845 20 5 DDBDRO NC(=O)[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000284020306 274938638 /nfs/dbraw/zinc/93/86/38/274938638.db2.gz HSYYTEHKZQMAGE-RYUDHWBXSA-N 1 0 322.321 1.637 20 5 DDBDRO CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000423828009 275689812 /nfs/dbraw/zinc/68/98/12/275689812.db2.gz PIDWZLNTOYTVHF-ZFWWWQNUSA-N 1 0 318.377 1.509 20 5 DDBDRO CC[C@@H](C)[NH+]1CCN(c2ncc(C(=O)OC)cc2[N+](=O)[O-])CC1 ZINC000450853379 276417523 /nfs/dbraw/zinc/41/75/23/276417523.db2.gz BNDBDPWMSBHFNT-LLVKDONJSA-N 1 0 322.365 1.697 20 5 DDBDRO COC1(C(=O)N(C)Cc2ccccc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000178407281 277179178 /nfs/dbraw/zinc/17/91/78/277179178.db2.gz WNLOIKXSASOLQO-UHFFFAOYSA-N 1 0 307.350 1.322 20 5 DDBDRO C[NH2+]CCCC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000237142560 277266420 /nfs/dbraw/zinc/26/64/20/277266420.db2.gz UAJUYMAHHCPBFT-UHFFFAOYSA-N 1 0 306.366 1.243 20 5 DDBDRO COc1cc(C[NH2+][C@@H](CO)[C@@H]2CCCO2)c([N+](=O)[O-])cc1F ZINC000447904352 277818848 /nfs/dbraw/zinc/81/88/48/277818848.db2.gz JVKJTOAYCAUCQW-AAEUAGOBSA-N 1 0 314.313 1.372 20 5 DDBDRO C[C@H]([NH3+])CCNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000285663180 278226104 /nfs/dbraw/zinc/22/61/04/278226104.db2.gz HVNWGTKEWYXSLL-JTQLQIEISA-N 1 0 303.322 1.248 20 5 DDBDRO C[C@@H](CC[NH3+])NS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000440860254 278231068 /nfs/dbraw/zinc/23/10/68/278231068.db2.gz OHDHHFOHSBWEKQ-VIFPVBQESA-N 1 0 324.362 1.159 20 5 DDBDRO Cc1c(C(=O)N(C)[C@@H]2CC[NH2+]C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000179092961 280203841 /nfs/dbraw/zinc/20/38/41/280203841.db2.gz BUSWFUDWCFQAJA-SNVBAGLBSA-N 1 0 322.321 1.554 20 5 DDBDRO Cc1ccc(S(=O)(=O)N(C)C2(C[NH3+])CCC2)c([N+](=O)[O-])c1 ZINC000420437785 280928046 /nfs/dbraw/zinc/92/80/46/280928046.db2.gz CWCGLIYSNKQNHO-UHFFFAOYSA-N 1 0 313.379 1.405 20 5 DDBDRO C[NH+](C)C1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000082349011 281012850 /nfs/dbraw/zinc/01/28/50/281012850.db2.gz ICDQPMMBXZYRHA-UHFFFAOYSA-N 1 0 313.379 1.310 20 5 DDBDRO COC[C@H](O)CC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447576245 293171641 /nfs/dbraw/zinc/17/16/41/293171641.db2.gz XJLOQSDHBUEQRS-UPJWGTAASA-N 1 0 312.370 1.262 20 5 DDBDRO [NH3+]CC[C@@H](NC(=O)CCOc1ccccc1[N+](=O)[O-])C(F)F ZINC000449614035 295235381 /nfs/dbraw/zinc/23/53/81/295235381.db2.gz UIGXBJZHWRXDHF-SECBINFHSA-N 1 0 317.292 1.462 20 5 DDBDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000261964069 297250035 /nfs/dbraw/zinc/25/00/35/297250035.db2.gz MQRHXPZOKGKOLF-ZJUUUORDSA-N 1 0 321.333 1.175 20 5 DDBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1c1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420635552 297263700 /nfs/dbraw/zinc/26/37/00/297263700.db2.gz ZLDIJIYXCHTNNG-VXGBXAGGSA-N 1 0 318.377 1.757 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C2CCC(C(F)F)CC2)c1 ZINC000572834961 304559265 /nfs/dbraw/zinc/55/92/65/304559265.db2.gz JSBUFPKEAMZWLX-RTYFJBAXSA-N 1 0 318.324 1.566 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C)CC[C@@H]2C)c1 ZINC000353991329 298331698 /nfs/dbraw/zinc/33/16/98/298331698.db2.gz AVOPKSMFDRAQBV-NSHDSACASA-N 1 0 307.350 1.770 20 5 DDBDRO C[N@@H+]1CCC[C@H]1CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000362762442 300133867 /nfs/dbraw/zinc/13/38/67/300133867.db2.gz JARWMHHVLVEUCH-VIFPVBQESA-N 1 0 313.304 1.626 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000363104346 300211976 /nfs/dbraw/zinc/21/19/76/300211976.db2.gz OHGOWMDTQZUFLJ-ZDUSSCGKSA-N 1 0 321.381 1.187 20 5 DDBDRO Cc1c(NC(=O)CC[N@@H+]2CCCOCC2)cccc1[N+](=O)[O-] ZINC000363379601 300259737 /nfs/dbraw/zinc/25/97/37/300259737.db2.gz SWXVLXMPISWTMG-UHFFFAOYSA-N 1 0 307.350 1.954 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]([NH3+])c2ccccc2)n1 ZINC000574517053 304659299 /nfs/dbraw/zinc/65/92/99/304659299.db2.gz OIIGSNRXYZGXMV-LLVKDONJSA-N 1 0 303.322 1.241 20 5 DDBDRO COc1ccc(CC(=O)N[C@@H]2CCCC[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000574749531 304680335 /nfs/dbraw/zinc/68/03/35/304680335.db2.gz IGNJQOPBROLCGB-QWHCGFSZSA-N 1 0 321.377 1.780 20 5 DDBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000367820514 300890847 /nfs/dbraw/zinc/89/08/47/300890847.db2.gz CKRIYKCFJHLFTN-GFCCVEGCSA-N 1 0 311.363 1.015 20 5 DDBDRO Nc1ncc([N+](=O)[O-])cc1C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000373286587 301683409 /nfs/dbraw/zinc/68/34/09/301683409.db2.gz GJPGCHJDCFKLDT-UHFFFAOYSA-N 1 0 319.365 1.272 20 5 DDBDRO Nc1c(C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)cccc1[N+](=O)[O-] ZINC000374428541 301804255 /nfs/dbraw/zinc/80/42/55/301804255.db2.gz MLRWDYDWFKQBOH-ZDUSSCGKSA-N 1 0 318.377 1.781 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000374507319 301813433 /nfs/dbraw/zinc/81/34/33/301813433.db2.gz PLYHMQVVKBQLSS-UHFFFAOYSA-N 1 0 304.350 1.514 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000250991209 302046092 /nfs/dbraw/zinc/04/60/92/302046092.db2.gz BJUWRIUPGYAILP-GHMZBOCLSA-N 1 0 313.379 1.274 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H](C[NH3+])CC(C)C ZINC000111829848 302049806 /nfs/dbraw/zinc/04/98/06/302049806.db2.gz GVSYEYUQHNOSFL-NSHDSACASA-N 1 0 315.395 1.555 20 5 DDBDRO O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000377319565 302168638 /nfs/dbraw/zinc/16/86/38/302168638.db2.gz YDVHOENSQUWEDY-OOPLNXAUSA-N 1 0 301.346 1.676 20 5 DDBDRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc([N+](=O)[O-])cc1F ZINC000377510189 302187908 /nfs/dbraw/zinc/18/79/08/302187908.db2.gz FKHBQBSVJBESCW-NEPJUHHUSA-N 1 0 323.324 1.327 20 5 DDBDRO O=C1NC[C@H]2C[N@H+](CCOc3cccc([N+](=O)[O-])c3)CC[C@@H]12 ZINC000377673048 302209053 /nfs/dbraw/zinc/20/90/53/302209053.db2.gz RLMNOGOHGSYJAW-SMDDNHRTSA-N 1 0 305.334 1.042 20 5 DDBDRO [NH3+][C@@H](C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)C1CCC1 ZINC000399238246 302365557 /nfs/dbraw/zinc/36/55/57/302365557.db2.gz SLMXPWZEIUPWRZ-OAHLLOKOSA-N 1 0 318.377 1.371 20 5 DDBDRO CC[C@@H]1CCCC[C@H]1C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000518759467 302829820 /nfs/dbraw/zinc/82/98/20/302829820.db2.gz WFHOFCSDKJUIHP-VNHYZAJKSA-N 1 0 310.398 1.958 20 5 DDBDRO CCc1ncc(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)o1 ZINC000519597567 302843313 /nfs/dbraw/zinc/84/33/13/302843313.db2.gz YTLSYYUGFPLLFL-LBPRGKRZSA-N 1 0 321.333 1.675 20 5 DDBDRO Cc1nn(CCC(=O)N(CC[NH+](C)C)C2CC2)c(C)c1[N+](=O)[O-] ZINC000356867617 306865868 /nfs/dbraw/zinc/86/58/68/306865868.db2.gz BDCLTRSBSBBTFS-UHFFFAOYSA-N 1 0 323.397 1.351 20 5 DDBDRO COC(=O)COc1ccc(C[NH2+]CCCF)cc1[N+](=O)[O-] ZINC000530494163 303199150 /nfs/dbraw/zinc/19/91/50/303199150.db2.gz PVHJOHOVPCYAQD-UHFFFAOYSA-N 1 0 300.286 1.596 20 5 DDBDRO C[NH+](C)CCn1nccc1NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000561607425 303845582 /nfs/dbraw/zinc/84/55/82/303845582.db2.gz LRVDMOWUSQVLBC-UHFFFAOYSA-N 1 0 304.310 1.000 20 5 DDBDRO Cc1cc(S(=O)(=O)NC[C@H]([NH3+])C2CC2)c(C)cc1[N+](=O)[O-] ZINC000563445523 303954773 /nfs/dbraw/zinc/95/47/73/303954773.db2.gz FYLFMMCITILAFB-NSHDSACASA-N 1 0 313.379 1.227 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@H](CO)[C@H](C)C1 ZINC000362080612 307013061 /nfs/dbraw/zinc/01/30/61/307013061.db2.gz YGRBIKKXWWFXOJ-CHWSQXEVSA-N 1 0 321.377 1.792 20 5 DDBDRO CC(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000363593316 307032369 /nfs/dbraw/zinc/03/23/69/307032369.db2.gz XYTZNWXWUQWIMD-KGLIPLIRSA-N 1 0 321.381 1.267 20 5 DDBDRO Cc1c(CN2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cccc1[N+](=O)[O-] ZINC000363738553 307034856 /nfs/dbraw/zinc/03/48/56/307034856.db2.gz ZCGYVODJTJMQTE-IRXDYDNUSA-N 1 0 319.405 1.934 20 5 DDBDRO COc1ccc(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000363939923 307038246 /nfs/dbraw/zinc/03/82/46/307038246.db2.gz VKHWGRNMCGBCGF-QWHCGFSZSA-N 1 0 319.361 1.960 20 5 DDBDRO C[C@@H]1CCC[N@@H+]1C1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000370888501 307139150 /nfs/dbraw/zinc/13/91/50/307139150.db2.gz HNSGKCOPMKZXFZ-GFCCVEGCSA-N 1 0 321.381 1.267 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC2(CCC[N@H+]2C)CC1 ZINC000374875178 307215371 /nfs/dbraw/zinc/21/53/71/307215371.db2.gz LAOSLBWBKXVJTN-UHFFFAOYSA-N 1 0 318.377 1.999 20 5 DDBDRO Cc1cc(N[C@@H]2CC[C@H](C(N)=O)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000450925052 307306384 /nfs/dbraw/zinc/30/63/84/307306384.db2.gz PRXSIUQEVGNKQI-WDEREUQCSA-N 1 0 314.345 1.939 20 5 DDBDRO COc1cc(F)cc(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000519825234 307455019 /nfs/dbraw/zinc/45/50/19/307455019.db2.gz UNCGKHNQGRVHFC-CYBMUJFWSA-N 1 0 324.312 1.090 20 5 DDBDRO CC[NH+](CC)[C@H](C)CNC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000527444198 307506933 /nfs/dbraw/zinc/50/69/33/307506933.db2.gz OOUBGXTVNUXCPU-GFCCVEGCSA-N 1 0 323.393 1.992 20 5 DDBDRO COc1ccc(CC(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000564933850 308013242 /nfs/dbraw/zinc/01/32/42/308013242.db2.gz XMIITKFGIZZSFI-CHWSQXEVSA-N 1 0 319.361 1.356 20 5 DDBDRO C[NH+](C)CCn1ccc(C(=O)NCc2ccccc2[N+](=O)[O-])n1 ZINC000565178349 308023887 /nfs/dbraw/zinc/02/38/87/308023887.db2.gz BABHHDDPYIIYQE-UHFFFAOYSA-N 1 0 317.349 1.283 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@@H](C)C[C@H](C)[NH3+])c1 ZINC000569723723 308148556 /nfs/dbraw/zinc/14/85/56/308148556.db2.gz QWFQIFUEFWUBMT-UWVGGRQHSA-N 1 0 315.395 1.616 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@H](c3ccncc3)C2)c1 ZINC000570118839 308159575 /nfs/dbraw/zinc/15/95/75/308159575.db2.gz YWHNPMKLKOUCEF-DZGCQCFKSA-N 1 0 317.349 1.037 20 5 DDBDRO CC[C@H](CC(F)(F)F)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000570794848 308179862 /nfs/dbraw/zinc/17/98/62/308179862.db2.gz DMZDAQCXLDUDJE-SCZZXKLOSA-N 1 0 310.276 1.473 20 5 DDBDRO C[C@]1(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000574071949 308260483 /nfs/dbraw/zinc/26/04/83/308260483.db2.gz OKWFWFXNQUYDAI-DZGCQCFKSA-N 1 0 310.350 1.493 20 5 DDBDRO O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1CC1CC[NH2+]CC1 ZINC000576820507 308341908 /nfs/dbraw/zinc/34/19/08/308341908.db2.gz UJRQKLAIZJCJBM-UHFFFAOYSA-N 1 0 314.345 1.818 20 5 DDBDRO C[C@H](O)C[C@H](C)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000576992239 308354721 /nfs/dbraw/zinc/35/47/21/308354721.db2.gz HNBQUBUWMUBQSS-QWRGUYRKSA-N 1 0 316.379 1.118 20 5 DDBDRO O=[N+]([O-])c1cc2c(ncnc2N2C[C@H]3CCC[C@@H](C2)[NH2+]3)s1 ZINC000577357668 308381413 /nfs/dbraw/zinc/38/14/13/308381413.db2.gz XKVAFBGHNUNOAO-DTORHVGOSA-N 1 0 305.363 1.930 20 5 DDBDRO COc1cccc(C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])c1[N+](=O)[O-] ZINC000579226776 308515880 /nfs/dbraw/zinc/51/58/80/308515880.db2.gz OKSOIWMWMMPGED-CMPLNLGQSA-N 1 0 307.350 1.851 20 5 DDBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@H](CO)C1CCOCC1 ZINC000579730087 308554319 /nfs/dbraw/zinc/55/43/19/308554319.db2.gz BRWCGELCZWOJNP-HUUCEWRRSA-N 1 0 306.362 1.959 20 5 DDBDRO CN1CCC[C@@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1=O ZINC000580709583 308624721 /nfs/dbraw/zinc/62/47/21/308624721.db2.gz GUASUWHLZAMMPV-GFCCVEGCSA-N 1 0 320.349 1.134 20 5 DDBDRO CCc1ccc(CC[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000571670985 484340797 /nfs/dbraw/zinc/34/07/97/484340797.db2.gz MKLWQZFYABHHCP-MRXNPFEDSA-N 1 0 318.377 1.547 20 5 DDBDRO COc1cc(CN(C)[C@@H](C)C[NH3+])c([N+](=O)[O-])cc1OC(F)F ZINC000430972011 533790423 /nfs/dbraw/zinc/79/04/23/533790423.db2.gz QYEUXUACGUEGHY-QMMMGPOBSA-N 1 0 319.308 1.984 20 5 DDBDRO Cc1c(NC(=O)CC[N@@H+](C)C(C)(C)C(N)=O)cccc1[N+](=O)[O-] ZINC000295598073 533900555 /nfs/dbraw/zinc/90/05/55/533900555.db2.gz BYOZUFAGIZIWCP-UHFFFAOYSA-N 1 0 322.365 1.428 20 5 DDBDRO C[C@@H]1C[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC[N@@H+]1C ZINC000319016651 533938751 /nfs/dbraw/zinc/93/87/51/533938751.db2.gz CPKLVXMJPCGWLS-PSASIEDQSA-N 1 0 310.329 1.529 20 5 DDBDRO C[C@@H](CNC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)[NH+](C)C ZINC000294552061 534031864 /nfs/dbraw/zinc/03/18/64/534031864.db2.gz YMCXLWWXOOHVJV-JTQLQIEISA-N 1 0 317.349 1.665 20 5 DDBDRO COC(=O)c1cnc(NCC[C@@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000420188083 534306937 /nfs/dbraw/zinc/30/69/37/534306937.db2.gz FBKBGRAHKCMLHW-JTQLQIEISA-N 1 0 308.338 1.578 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC(C)(C)CCC[NH3+] ZINC000415764871 534336941 /nfs/dbraw/zinc/33/69/41/534336941.db2.gz SGWWQZMFYBXJBD-UHFFFAOYSA-N 1 0 322.365 1.475 20 5 DDBDRO CCC[NH2+]CCNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000154569452 519916920 /nfs/dbraw/zinc/91/69/20/519916920.db2.gz ZHLLBJPJTLNDMH-UHFFFAOYSA-N 1 0 320.393 1.924 20 5 DDBDRO [NH3+][C@H](CNC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)C1CC1 ZINC000418496437 534722620 /nfs/dbraw/zinc/72/26/20/534722620.db2.gz HYUBPUYFBZNXOW-CQSZACIVSA-N 1 0 320.349 1.105 20 5 DDBDRO CC(C)(CCC[NH3+])NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000431039324 527015780 /nfs/dbraw/zinc/01/57/80/527015780.db2.gz HRCYPBBAGAVROM-UHFFFAOYSA-N 1 0 307.397 1.452 20 5 DDBDRO CCCN(C(=O)NCCc1ccccc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000417762095 527753728 /nfs/dbraw/zinc/75/37/28/527753728.db2.gz IFGUQYHNRKVYRE-CQSZACIVSA-N 1 0 320.393 1.921 20 5 DDBDRO CC[N@@H+]1CC[C@@H](NC(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000493700487 527758088 /nfs/dbraw/zinc/75/80/88/527758088.db2.gz XREIQTVPRSKORQ-RYWCDNDXSA-N 1 0 307.325 1.958 20 5 DDBDRO CCNC(=O)C(C)(C)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411813592 528035123 /nfs/dbraw/zinc/03/51/23/528035123.db2.gz FHWDBVDDVXEPEI-UHFFFAOYSA-N 1 0 322.365 1.428 20 5 DDBDRO CCOc1cc(C[N@H+](C)[C@]2(CO)CCOC2)ccc1[N+](=O)[O-] ZINC000491606734 528262241 /nfs/dbraw/zinc/26/22/41/528262241.db2.gz IJGSDUAODRQTCX-HNNXBMFYSA-N 1 0 310.350 1.577 20 5 DDBDRO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)c1c([N+](=O)[O-])cnn1C ZINC000452343154 528315217 /nfs/dbraw/zinc/31/52/17/528315217.db2.gz KCZWGSWBESFTDU-LBPRGKRZSA-N 1 0 323.397 1.569 20 5 DDBDRO CC(C)[C@@H](C[NH3+])C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000433148024 528440659 /nfs/dbraw/zinc/44/06/59/528440659.db2.gz PVVIJOMUAWXSRG-DGCLKSJQSA-N 1 0 321.381 1.234 20 5 DDBDRO CC(C)[C@@H]([NH3+])CNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000429157245 528530422 /nfs/dbraw/zinc/53/04/22/528530422.db2.gz AAGCSOURUSQROP-ZDUSSCGKSA-N 1 0 317.349 1.494 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000422812967 528692008 /nfs/dbraw/zinc/69/20/08/528692008.db2.gz YSOCJULGLDDUAS-NSHDSACASA-N 1 0 307.350 1.723 20 5 DDBDRO CCCC[C@H](C[NH3+])NC(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000417189202 528944200 /nfs/dbraw/zinc/94/42/00/528944200.db2.gz WSGCHMJLGZVJOW-GFCCVEGCSA-N 1 0 324.381 1.920 20 5 DDBDRO C[C@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1)[N@H+](C)C1CC1 ZINC000736027084 598500359 /nfs/dbraw/zinc/50/03/59/598500359.db2.gz XABOFAGOOXGYJF-MRVPVSSYSA-N 1 0 318.341 1.065 20 5 DDBDRO C[C@@H]1C[C@H](Nc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000820668797 599589692 /nfs/dbraw/zinc/58/96/92/599589692.db2.gz WOKYVNOMPPLBJS-MWLCHTKSSA-N 1 0 317.353 1.670 20 5 DDBDRO C[NH+](C)C[C@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000821583192 606858922 /nfs/dbraw/zinc/85/89/22/606858922.db2.gz LWJSXEUYCZALCD-LLVKDONJSA-N 1 0 317.353 1.305 20 5 DDBDRO C[C@@H](C(=O)OCCn1ccc([N+](=O)[O-])n1)[NH+]1[C@H](C)CC[C@H]1C ZINC000748128461 700101368 /nfs/dbraw/zinc/10/13/68/700101368.db2.gz IOIDTXMQJKHSHP-UTUOFQBUSA-N 1 0 310.354 1.596 20 5 DDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[N@H+](CC2CC3(CCC3)C2)CC1 ZINC000981138136 697015608 /nfs/dbraw/zinc/01/56/08/697015608.db2.gz MCVLRXNCRTVELE-HUUCEWRRSA-N 1 0 321.421 1.766 20 5 DDBDRO C[NH+](C)C[C@@H]1CCN(Cn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000172506149 697368751 /nfs/dbraw/zinc/36/87/51/697368751.db2.gz FYVKTDACJUYNEV-NSHDSACASA-N 1 0 320.349 1.344 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CCO)CC2)c2cccnc21 ZINC000196204650 697747140 /nfs/dbraw/zinc/74/71/40/697747140.db2.gz AEGBKNNAXWLIGP-UHFFFAOYSA-N 1 0 302.334 1.257 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC1(C)CC[NH2+]CC1 ZINC000229628029 697779579 /nfs/dbraw/zinc/77/95/79/697779579.db2.gz LFHCNLNLMKDTOB-UHFFFAOYSA-N 1 0 313.379 1.324 20 5 DDBDRO C[C@@H](CN1CCCC1=O)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000749680019 700176819 /nfs/dbraw/zinc/17/68/19/700176819.db2.gz YXKUNFVKWZNAFT-FZMZJTMJSA-N 1 0 307.350 1.229 20 5 DDBDRO CC1(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)OCCO1 ZINC000774265519 697860698 /nfs/dbraw/zinc/86/06/98/697860698.db2.gz FMAYIHYTDDOWNJ-VXGBXAGGSA-N 1 0 310.354 1.628 20 5 DDBDRO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@H+](CCF)CC3)nc2c1 ZINC000775672430 698020966 /nfs/dbraw/zinc/02/09/66/698020966.db2.gz GLELAKJXBBWWJA-UHFFFAOYSA-N 1 0 307.329 1.953 20 5 DDBDRO CCOC[C@@H]1CC[N@H+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C1 ZINC000749959910 700195241 /nfs/dbraw/zinc/19/52/41/700195241.db2.gz SEKHETXHGGGZQL-GFCCVEGCSA-N 1 0 319.365 1.964 20 5 DDBDRO C[C@@H](CN1CCCC1=O)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776278224 698091415 /nfs/dbraw/zinc/09/14/15/698091415.db2.gz SJBCAGWSNDFKAS-SMDDNHRTSA-N 1 0 307.350 1.229 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH+]2CCC(c3nnc[nH]3)CC2)cc1 ZINC000776593627 698124237 /nfs/dbraw/zinc/12/42/37/698124237.db2.gz YSHJJKCVRPFIAH-CQSZACIVSA-N 1 0 317.349 1.626 20 5 DDBDRO O=C1CCCN1[C@H]1CC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776596655 698124767 /nfs/dbraw/zinc/12/47/67/698124767.db2.gz HJOGIWSAIQDWNO-GJZGRUSLSA-N 1 0 319.361 1.325 20 5 DDBDRO C[C@H]1C[NH2+]CCN1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000261896011 698443736 /nfs/dbraw/zinc/44/37/36/698443736.db2.gz UYNWQUKNZOPDCJ-VIFPVBQESA-N 1 0 312.757 1.480 20 5 DDBDRO O=[N+]([O-])c1ccc(CN2CC[C@@H](N3CC[NH2+]CC3)C2)cc1Cl ZINC000262145414 698456413 /nfs/dbraw/zinc/45/64/13/698456413.db2.gz QKYHVAALNGIAOA-CYBMUJFWSA-N 1 0 324.812 1.728 20 5 DDBDRO Cc1nn(CN2CCC(C(=O)NCC(C)C)CC2)cc1[N+](=O)[O-] ZINC000779859571 698476320 /nfs/dbraw/zinc/47/63/20/698476320.db2.gz KPXQEOZIJHOQCI-UHFFFAOYSA-N 1 0 323.397 1.541 20 5 DDBDRO C[NH+](C)CCNC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000781561686 698630943 /nfs/dbraw/zinc/63/09/43/698630943.db2.gz NKTLSUZSTBKGAF-UHFFFAOYSA-N 1 0 310.310 1.113 20 5 DDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000420409854 699139744 /nfs/dbraw/zinc/13/97/44/699139744.db2.gz WIRQYEWAXTWJHW-MLGOLLRUSA-N 1 0 318.377 1.750 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000424030104 699147721 /nfs/dbraw/zinc/14/77/21/699147721.db2.gz QGFQDKXYAHSZRP-INIZCTEOSA-N 1 0 319.361 1.962 20 5 DDBDRO C[NH+](C)C1(C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)CCC1 ZINC000787593038 699221525 /nfs/dbraw/zinc/22/15/25/699221525.db2.gz LDLYPEXQSYSIBR-UHFFFAOYSA-N 1 0 321.381 1.439 20 5 DDBDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)[C@H]1CN(C)CCO1 ZINC000788670289 699332908 /nfs/dbraw/zinc/33/29/08/699332908.db2.gz IPOLCOBCHILGPV-FIXISWKDSA-N 1 0 308.382 1.547 20 5 DDBDRO O=C1CCc2cc([N+](=O)[O-])c(N3C[C@H]4C[NH2+]C[C@@H]4C3)cc2N1 ZINC000725787101 699333984 /nfs/dbraw/zinc/33/39/84/699333984.db2.gz AITOPVZRLUXGGB-GHMZBOCLSA-N 1 0 302.334 1.135 20 5 DDBDRO CC(C)OCC(=[NH2+])NOCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000789587725 699397597 /nfs/dbraw/zinc/39/75/97/699397597.db2.gz JMIBADMGMOFPIG-UHFFFAOYSA-N 1 0 312.282 1.926 20 5 DDBDRO CN(Cn1c(=O)oc2cccc([N+](=O)[O-])c21)[C@H]1CCSC1 ZINC000794637310 699820593 /nfs/dbraw/zinc/82/05/93/699820593.db2.gz UONHTGAWNYSJEJ-VIFPVBQESA-N 1 0 309.347 1.898 20 5 DDBDRO C[N@@H+]1CC[C@@](O)(CNC(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000762719245 700904317 /nfs/dbraw/zinc/90/43/17/700904317.db2.gz RCJQGNXUCGHGLD-CYBMUJFWSA-N 1 0 313.741 1.045 20 5 DDBDRO C[NH+](C)C1(C(=O)NCCNc2ccccc2[N+](=O)[O-])CCC1 ZINC000762964540 700917878 /nfs/dbraw/zinc/91/78/78/700917878.db2.gz NTKJNLSZSGPFTQ-UHFFFAOYSA-N 1 0 306.366 1.607 20 5 DDBDRO C[C@H]([NH2+][C@@H](CCO)C1CC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000763061410 700923132 /nfs/dbraw/zinc/92/31/32/700923132.db2.gz XSAUBWGVUXZJEO-HZMBPMFUSA-N 1 0 307.350 1.672 20 5 DDBDRO COC(=O)c1coc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)c1 ZINC000809734336 701683790 /nfs/dbraw/zinc/68/37/90/701683790.db2.gz AZTSBZUNJSPJTN-UHFFFAOYSA-N 1 0 319.317 1.940 20 5 DDBDRO CC[N@H+](CCO)CCNC(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000768787352 701202603 /nfs/dbraw/zinc/20/26/03/701202603.db2.gz ZJPOSWABLKOZBD-UHFFFAOYSA-N 1 0 312.395 1.195 20 5 DDBDRO C[C@@]1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[N@H+](Cc2ccccc2)C1 ZINC000839751967 701809939 /nfs/dbraw/zinc/80/99/39/701809939.db2.gz VGJHKYJTWGZXBS-INMHGKMJSA-N 1 0 317.389 1.680 20 5 DDBDRO C[N@@H+]1CCCC[C@@H]1CCOC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000840222260 702033400 /nfs/dbraw/zinc/03/34/00/702033400.db2.gz BYJMBODSGDPZBW-GFCCVEGCSA-N 1 0 310.354 1.599 20 5 DDBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000816767078 702187559 /nfs/dbraw/zinc/18/75/59/702187559.db2.gz ODLSTOPHTNDASM-RNCFNFMXSA-N 1 0 322.321 1.668 20 5 DDBDRO C[N@@H+]1CC[C@H]2CN(c3ccc(C(N)=O)cc3[N+](=O)[O-])CC[C@H]21 ZINC000866206765 706648719 /nfs/dbraw/zinc/64/87/19/706648719.db2.gz NAYJROBUMLTZJL-NWDGAFQWSA-N 1 0 304.350 1.224 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CC[C@@](O)(C(F)F)C2)cc1 ZINC000831175542 706650446 /nfs/dbraw/zinc/65/04/46/706650446.db2.gz LMYQXBGVAGAOLT-AAEUAGOBSA-N 1 0 302.277 1.330 20 5 DDBDRO Cc1cc(F)cc(C(=O)N2CC[C@@H]3C[N@@H+](C)C[C@H]32)c1[N+](=O)[O-] ZINC000816953613 702237730 /nfs/dbraw/zinc/23/77/30/702237730.db2.gz KJWUOKUPMYUVMQ-ZWNOBZJWSA-N 1 0 307.325 1.818 20 5 DDBDRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000816954723 702238686 /nfs/dbraw/zinc/23/86/86/702238686.db2.gz JJNZEHZHEDHZFL-ZANVPECISA-N 1 0 320.305 1.279 20 5 DDBDRO CN(CC[NH+]1CC2(C1)CCOCC2)c1ccc(N)c([N+](=O)[O-])n1 ZINC000866258332 706659816 /nfs/dbraw/zinc/65/98/16/706659816.db2.gz RPNRHWCEXKUUSO-UHFFFAOYSA-N 1 0 321.381 1.121 20 5 DDBDRO COC[C@@H](C[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-])OC ZINC000866337395 706676418 /nfs/dbraw/zinc/67/64/18/706676418.db2.gz QUUDSOQJIHEFSN-ZWNOBZJWSA-N 1 0 300.330 1.916 20 5 DDBDRO CCN(C(=O)Cc1cccc(F)c1[N+](=O)[O-])[C@H]1CC[N@H+](C)C1 ZINC000869240244 702527849 /nfs/dbraw/zinc/52/78/49/702527849.db2.gz YKTQGIPMKXJAJE-LBPRGKRZSA-N 1 0 309.341 1.829 20 5 DDBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@]1(O)CCO[C@H]1C ZINC000866353698 706679743 /nfs/dbraw/zinc/67/97/43/706679743.db2.gz ZRJTYPBEXPZLAN-JRPNMDOOSA-N 1 0 312.341 1.794 20 5 DDBDRO C[NH2+]CCCNC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000841914889 702616932 /nfs/dbraw/zinc/61/69/32/702616932.db2.gz KNCASLNCAYZFTJ-UHFFFAOYSA-N 1 0 321.381 1.036 20 5 DDBDRO O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)NC[C@@H]1CCCC[NH2+]1 ZINC000818532097 702661368 /nfs/dbraw/zinc/66/13/68/702661368.db2.gz PQAFFOZCHIIXAW-LBPRGKRZSA-N 1 0 317.349 1.203 20 5 DDBDRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000842163530 702678737 /nfs/dbraw/zinc/67/87/37/702678737.db2.gz PEVFRQXIONNIRI-VXGBXAGGSA-N 1 0 311.357 1.621 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N(C)CCC[NH3+])c1 ZINC000842727856 702763614 /nfs/dbraw/zinc/76/36/14/702763614.db2.gz XOUYXEGINJKNAU-UHFFFAOYSA-N 1 0 321.786 1.526 20 5 DDBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@H](C)C[NH3+] ZINC000842786867 702773510 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1.216 20 5 DDBDRO C[C@H]1C[NH2+]CCN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000843347333 702863637 /nfs/dbraw/zinc/86/36/37/702863637.db2.gz RHEZVMLFMVEQDF-JTQLQIEISA-N 1 0 310.329 1.356 20 5 DDBDRO C[C@@H](C[NH3+])N(C)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000843350007 702864464 /nfs/dbraw/zinc/86/44/64/702864464.db2.gz CJJMGGVZAPCETI-QMMMGPOBSA-N 1 0 300.746 1.466 20 5 DDBDRO C[C@@H]([NH3+])[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000843487478 702891700 /nfs/dbraw/zinc/89/17/00/702891700.db2.gz QEPOGUMULCPMGN-GHMZBOCLSA-N 1 0 306.366 1.661 20 5 DDBDRO CC[C@@H](CO)[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000844256589 703001432 /nfs/dbraw/zinc/00/14/32/703001432.db2.gz AORSPCWZJGURIY-JTQLQIEISA-N 1 0 311.338 1.293 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000879564389 706719012 /nfs/dbraw/zinc/71/90/12/706719012.db2.gz ZQNKABISTZYTBL-VXGBXAGGSA-N 1 0 309.391 1.441 20 5 DDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000848351486 703542135 /nfs/dbraw/zinc/54/21/35/703542135.db2.gz DMEYMQSLYYIMTC-HUUCEWRRSA-N 1 0 318.377 1.924 20 5 DDBDRO C[NH+](C)CCNC(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000848580111 703565184 /nfs/dbraw/zinc/56/51/84/703565184.db2.gz VUJVJXOULIGXIY-UHFFFAOYSA-N 1 0 303.265 1.244 20 5 DDBDRO C[C@@H](CCNS(=O)(=O)c1csc([N+](=O)[O-])c1)[NH+](C)C ZINC000849428638 703646849 /nfs/dbraw/zinc/64/68/49/703646849.db2.gz CDKQNUPWXWYLHA-QMMMGPOBSA-N 1 0 307.397 1.275 20 5 DDBDRO CO[C@H](C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000850484486 703733305 /nfs/dbraw/zinc/73/33/05/703733305.db2.gz JTLDKDORQVEHHP-IXPVHAAZSA-N 1 0 309.366 1.879 20 5 DDBDRO C[NH2+]C[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000850594852 703738722 /nfs/dbraw/zinc/73/87/22/703738722.db2.gz XALMVPIATSLUGV-QMMMGPOBSA-N 1 0 321.786 1.443 20 5 DDBDRO CC(C)(CCC[NH3+])NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000818601824 703936274 /nfs/dbraw/zinc/93/62/74/703936274.db2.gz SBOTXDGVONJUTD-UHFFFAOYSA-N 1 0 319.365 1.578 20 5 DDBDRO CO[C@H]1CC[C@H]([NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)C1 ZINC000852151079 703946220 /nfs/dbraw/zinc/94/62/20/703946220.db2.gz CXCMERGIFRHUHL-STQMWFEESA-N 1 0 306.366 1.679 20 5 DDBDRO COC[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CCOCC1 ZINC000852321458 704012426 /nfs/dbraw/zinc/01/24/26/704012426.db2.gz OIVKOBWKZXLACW-CVEARBPZSA-N 1 0 324.377 1.659 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H]2CCN(CC3CC3)C2)c1 ZINC000819040289 704057198 /nfs/dbraw/zinc/05/71/98/704057198.db2.gz ZAQDOKWNMAOFQM-ZBFHGGJFSA-N 1 0 305.378 1.702 20 5 DDBDRO CC[C@@H](C[NH+](C)C)OC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000870551470 704074511 /nfs/dbraw/zinc/07/45/11/704074511.db2.gz OIOZNLFCOLJNRG-NSHDSACASA-N 1 0 324.333 1.863 20 5 DDBDRO COC(=O)N(C)CC[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000852571173 704078218 /nfs/dbraw/zinc/07/82/18/704078218.db2.gz JWWTZKGZZVSNNZ-UHFFFAOYSA-N 1 0 311.338 1.604 20 5 DDBDRO O=C1C[C@@H](C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CN1C1CC1 ZINC000819217864 704088652 /nfs/dbraw/zinc/08/86/52/704088652.db2.gz HHQQRJKGRUESRG-XHDPSFHLSA-N 1 0 319.361 1.229 20 5 DDBDRO CN(CC1C[NH+](C)C1)c1ccc([N+](=O)[O-])cc1C(=O)NC1CC1 ZINC000853825990 704322166 /nfs/dbraw/zinc/32/21/66/704322166.db2.gz ZNNRNUALOGBMOA-UHFFFAOYSA-N 1 0 318.377 1.485 20 5 DDBDRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000855284601 704477338 /nfs/dbraw/zinc/47/73/38/704477338.db2.gz WDBKTWSLNQZIFM-OCCSQVGLSA-N 1 0 321.377 1.617 20 5 DDBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857767261 704622805 /nfs/dbraw/zinc/62/28/05/704622805.db2.gz BCGOPJHOGUNSLR-RKDXNWHRSA-N 1 0 317.292 1.808 20 5 DDBDRO COC[C@@]1(c2nc(-c3ccc([N+](=O)[O-])s3)no2)CC[NH2+]C1 ZINC000823069227 705129893 /nfs/dbraw/zinc/12/98/93/705129893.db2.gz IZYDIUJGWDTBKV-GFCCVEGCSA-N 1 0 310.335 1.584 20 5 DDBDRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1cccc([N+](=O)[O-])c1N ZINC000874836917 705194207 /nfs/dbraw/zinc/19/42/07/705194207.db2.gz IDKKXSPBGAGTDT-VXGBXAGGSA-N 1 0 304.350 1.486 20 5 DDBDRO O=C(NCCC[NH+]1CCCCC1)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000823931945 705341314 /nfs/dbraw/zinc/34/13/14/705341314.db2.gz UQDYVTJRJIAMBP-OAHLLOKOSA-N 1 0 321.377 1.620 20 5 DDBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000823985931 705349406 /nfs/dbraw/zinc/34/94/06/705349406.db2.gz FGIWWIRHWPWGDE-NSHDSACASA-N 1 0 321.381 1.983 20 5 DDBDRO COC1([C@H](C)[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000834570614 707088366 /nfs/dbraw/zinc/08/83/66/707088366.db2.gz IXPSCVKFRMNJST-SWLSCSKDSA-N 1 0 324.377 1.802 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000824765245 705526155 /nfs/dbraw/zinc/52/61/55/705526155.db2.gz VDFCIOMRRAQTMU-NSHDSACASA-N 1 0 309.370 1.089 20 5 DDBDRO C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000825630230 705706106 /nfs/dbraw/zinc/70/61/06/705706106.db2.gz BUBGZZFRRKDHPN-KGLIPLIRSA-N 1 0 307.350 1.181 20 5 DDBDRO CC[NH+](CC)C[C@@H](C)NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825891231 705741690 /nfs/dbraw/zinc/74/16/90/705741690.db2.gz HPOKNVXIUWYJTR-RISCZKNCSA-N 1 0 309.366 1.475 20 5 DDBDRO Cc1cc(NCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])nc(C(C)C)n1 ZINC000862860968 705812702 /nfs/dbraw/zinc/81/27/02/705812702.db2.gz WNMKQMXACHJCKD-GHMZBOCLSA-N 1 0 307.354 1.102 20 5 DDBDRO O=C(CCc1cc(F)ccc1[N+](=O)[O-])N1CC[C@@H]([NH+]2CCC2)C1 ZINC000826949582 705897516 /nfs/dbraw/zinc/89/75/16/705897516.db2.gz JODFKRNILPMATJ-CQSZACIVSA-N 1 0 321.352 1.973 20 5 DDBDRO O=C(N[C@@H]1C[NH2+]CCC1(F)F)c1c(F)cccc1[N+](=O)[O-] ZINC000876866756 705898517 /nfs/dbraw/zinc/89/85/17/705898517.db2.gz WWJAYAPUCMEHDV-SECBINFHSA-N 1 0 303.240 1.461 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3ccc(F)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000827231536 705956436 /nfs/dbraw/zinc/95/64/36/705956436.db2.gz HIHXYACCLVHVAP-OCCSQVGLSA-N 1 0 321.352 1.829 20 5 DDBDRO C[NH2+]CCOCCN(C)C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000877026658 705964166 /nfs/dbraw/zinc/96/41/66/705964166.db2.gz DVOYYJANKMPTMF-UHFFFAOYSA-N 1 0 315.757 1.556 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3F)CC[C@@H]21 ZINC000827269313 705964950 /nfs/dbraw/zinc/96/49/50/705964950.db2.gz WQWOONNHLACERH-YGRLFVJLSA-N 1 0 307.325 1.900 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000827297891 705970534 /nfs/dbraw/zinc/97/05/34/705970534.db2.gz HNVKQNOYTMYAAQ-QWRGUYRKSA-N 1 0 321.381 1.608 20 5 DDBDRO C[C@@H]1C[C@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CN1C1CC1 ZINC000877094863 705981420 /nfs/dbraw/zinc/98/14/20/705981420.db2.gz UYYBVPDBFLLFFY-JJMZSNKZSA-N 1 0 305.382 1.710 20 5 DDBDRO CN(C(=O)CN1CC[C@H]2CC[C@@]21C[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000903858670 711305485 /nfs/dbraw/zinc/30/54/85/711305485.db2.gz XQQHKLUJDYMUGN-MLGOLLRUSA-N 1 0 318.377 1.371 20 5 DDBDRO C[C@]([NH3+])(C(=O)N[C@@H]1C[C@H]1C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000877221738 706021590 /nfs/dbraw/zinc/02/15/90/706021590.db2.gz RZUAIPGSOZIKNV-CKYFFXLPSA-N 1 0 317.267 1.836 20 5 DDBDRO Cn1cncc1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000877539667 706136644 /nfs/dbraw/zinc/13/66/44/706136644.db2.gz OMNYOXVEKNLFAR-UHFFFAOYSA-N 1 0 316.365 1.482 20 5 DDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]CCO[C@@H]3CC3(F)F)C2)c1 ZINC000877627869 706163543 /nfs/dbraw/zinc/16/35/43/706163543.db2.gz YBBCCNBOLQIPQT-NWGYLPEXSA-N 1 0 302.281 1.509 20 5 DDBDRO O=[N+]([O-])c1c(NC[C@@H]2CCC[N@H+]2CCCO)nc2ccccn21 ZINC000828422926 706176525 /nfs/dbraw/zinc/17/65/25/706176525.db2.gz SPDBRJKOEHKDDE-LBPRGKRZSA-N 1 0 319.365 1.501 20 5 DDBDRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000864615293 706213956 /nfs/dbraw/zinc/21/39/56/706213956.db2.gz BIUKSEIGQGIWRO-BDAKNGLRSA-N 1 0 315.276 1.515 20 5 DDBDRO C[C@@H]1CN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])C[C@H](C)N1CCO ZINC000829019233 706274883 /nfs/dbraw/zinc/27/48/83/706274883.db2.gz BKKVPXSIWKZEGM-PHIMTYICSA-N 1 0 324.337 1.394 20 5 DDBDRO O=[N+]([O-])c1cc(CO)c(N2CC[C@H]([NH+]3CC=CC3)C2)cc1F ZINC000865561581 706464132 /nfs/dbraw/zinc/46/41/32/706464132.db2.gz NRMFZUFMGNGRRU-LBPRGKRZSA-N 1 0 307.325 1.677 20 5 DDBDRO C[C@@H]1[C@H](C)N(C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C(=O)N1C ZINC000878752275 706489050 /nfs/dbraw/zinc/48/90/50/706489050.db2.gz KKMOKANWXVFEFM-YXMPFFBPSA-N 1 0 321.377 1.568 20 5 DDBDRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000880134031 706886468 /nfs/dbraw/zinc/88/64/68/706886468.db2.gz LIXPZBIFJYGJHD-ZIAGYGMSSA-N 1 0 318.377 1.362 20 5 DDBDRO CC[C@H]1C[N@H+](CC)CCN1C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000836948108 707553016 /nfs/dbraw/zinc/55/30/16/707553016.db2.gz XYOZIVQWMZZCNK-LBPRGKRZSA-N 1 0 306.366 1.733 20 5 DDBDRO CC[C@H]1C[N@H+](CC)CCN1C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000836947560 707553095 /nfs/dbraw/zinc/55/30/95/707553095.db2.gz IZTRXDGKUCYRCE-JTQLQIEISA-N 1 0 324.356 1.872 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(Cn3ncc4cc([N+](=O)[O-])ccc43)CC[C@H]21 ZINC000872725088 707573279 /nfs/dbraw/zinc/57/32/79/707573279.db2.gz ORLJVDWTQBFOKT-IUODEOHRSA-N 1 0 315.377 1.928 20 5 DDBDRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000872779130 707596720 /nfs/dbraw/zinc/59/67/20/707596720.db2.gz MYCHKUCDGUVBFQ-ZIAGYGMSSA-N 1 0 304.350 1.367 20 5 DDBDRO C[N@H+](CCCCNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000837224551 707601647 /nfs/dbraw/zinc/60/16/47/707601647.db2.gz DNHOLORPAXSLGM-HNNXBMFYSA-N 1 0 321.377 1.619 20 5 DDBDRO O=[N+]([O-])c1cnc(N2CCC[C@H]([NH2+]C3CCOCC3)C2)nc1 ZINC000882725678 707762355 /nfs/dbraw/zinc/76/23/55/707762355.db2.gz YMCFCNVYWHYBIB-LBPRGKRZSA-N 1 0 307.354 1.122 20 5 DDBDRO CCOC(=O)[C@H]1NCC[C@@H]1[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000873251530 707785057 /nfs/dbraw/zinc/78/50/57/707785057.db2.gz KXPBWKXJPYAIQK-JSGCOSHPSA-N 1 0 307.350 1.286 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCN(C[C@@H]3C[C@H](F)C[NH2+]3)CC2)cc1 ZINC000883418948 707997374 /nfs/dbraw/zinc/99/73/74/707997374.db2.gz WNPRZGNEKXBKDH-STQMWFEESA-N 1 0 308.357 1.417 20 5 DDBDRO COc1ccc(C[NH2+][C@H](CO)C[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000886226914 708719466 /nfs/dbraw/zinc/71/94/66/708719466.db2.gz TWOYEDMONJSYHR-STQMWFEESA-N 1 0 310.350 1.623 20 5 DDBDRO CNc1ccc(C(=O)N2CC([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000898616281 708814081 /nfs/dbraw/zinc/81/40/81/708814081.db2.gz JGPFRKLUACSJFY-UHFFFAOYSA-N 1 0 304.350 1.557 20 5 DDBDRO NC(=O)c1ccc(C[N@@H+]2CC[C@H]([C@H]3CCCO3)C2)c([N+](=O)[O-])c1 ZINC000886827922 708855518 /nfs/dbraw/zinc/85/55/18/708855518.db2.gz UFWDTHKRSMIRMS-DZGCQCFKSA-N 1 0 319.361 1.695 20 5 DDBDRO CC(C)COC[C@@H](O)C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000912762193 713087731 /nfs/dbraw/zinc/08/77/31/713087731.db2.gz KNMBLPPZVKYNGZ-LSDHHAIUSA-N 1 0 312.366 1.251 20 5 DDBDRO CCCc1n[nH]c(C(=O)N2CCC23CC[NH+](C)CC3)c1[N+](=O)[O-] ZINC000889224481 709464287 /nfs/dbraw/zinc/46/42/87/709464287.db2.gz KYBBAOZPHPMQNU-UHFFFAOYSA-N 1 0 321.381 1.581 20 5 DDBDRO COc1cc(C(=O)N2CC[C@H]([NH+]3CCC3)C2)cc([N+](=O)[O-])c1C ZINC000912910540 713121296 /nfs/dbraw/zinc/12/12/96/713121296.db2.gz PGHRHYUPTTZNRR-ZDUSSCGKSA-N 1 0 319.361 1.832 20 5 DDBDRO CC[N@@H+]1CCCN(C(=O)COc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000910296679 709874379 /nfs/dbraw/zinc/87/43/79/709874379.db2.gz ODCXGZFXUTUIRD-ZDUSSCGKSA-N 1 0 321.377 1.916 20 5 DDBDRO CN(CC(C)(C)C[NH+](C)C)C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000890887393 710021830 /nfs/dbraw/zinc/02/18/30/710021830.db2.gz LQEJEEMYCOYHKO-UHFFFAOYSA-N 1 0 308.382 1.837 20 5 DDBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000891722567 710275656 /nfs/dbraw/zinc/27/56/56/710275656.db2.gz FWTLZLRJXKQVJJ-HUUCEWRRSA-N 1 0 318.377 1.673 20 5 DDBDRO Cc1ccc(CNC(=O)NC[C@H]2CCCC[NH2+]2)cc1[N+](=O)[O-] ZINC000891971352 710342725 /nfs/dbraw/zinc/34/27/25/710342725.db2.gz PGZMWZQTAGXKLC-CYBMUJFWSA-N 1 0 306.366 1.845 20 5 DDBDRO Cc1ccc(CNC(=O)N[C@H]2C[NH2+]CC[C@H]2C)cc1[N+](=O)[O-] ZINC000892077026 710367100 /nfs/dbraw/zinc/36/71/00/710367100.db2.gz DAZUMXQEFQDRMV-MFKMUULPSA-N 1 0 306.366 1.700 20 5 DDBDRO COc1ccc(C[NH2+]C2CC(S(C)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000892715537 710486679 /nfs/dbraw/zinc/48/66/79/710486679.db2.gz YDEMXCSFNASHJC-UHFFFAOYSA-N 1 0 314.363 1.269 20 5 DDBDRO COc1c(O)ccc(CNC[C@@H]2CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000892946995 710530193 /nfs/dbraw/zinc/53/01/93/710530193.db2.gz WAVMPJARLWECHD-NSHDSACASA-N 1 0 309.366 1.740 20 5 DDBDRO C[C@H]1C[N@H+](CCCOC(=O)CCC(C)(C)[N+](=O)[O-])CCO1 ZINC000893386503 710627853 /nfs/dbraw/zinc/62/78/53/710627853.db2.gz VIFYRYXUALODBZ-LBPRGKRZSA-N 1 0 302.371 1.476 20 5 DDBDRO C[NH+](C)C1(C)CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000913393219 713207760 /nfs/dbraw/zinc/20/77/60/713207760.db2.gz LVXNGYZXXBFZGV-UHFFFAOYSA-N 1 0 306.366 1.733 20 5 DDBDRO Cc1nn(C)c(C(=O)N2CCC(C)([NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000913399237 713208261 /nfs/dbraw/zinc/20/82/61/713208261.db2.gz XDNUJCCOKQFQRZ-UHFFFAOYSA-N 1 0 309.370 1.193 20 5 DDBDRO [NH3+]C[C@@H]1CCN(C(=O)CCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000911737882 710958547 /nfs/dbraw/zinc/95/85/47/710958547.db2.gz DJSRPZTWVGCFJV-JTQLQIEISA-N 1 0 311.769 1.988 20 5 DDBDRO C[C@@H]1CN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000911822537 711014564 /nfs/dbraw/zinc/01/45/64/711014564.db2.gz WQKJTILXCFPHDY-MFKMUULPSA-N 1 0 309.341 1.862 20 5 DDBDRO COCCN(C)CC[NH2+][C@@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903089823 711028951 /nfs/dbraw/zinc/02/89/51/711028951.db2.gz SUBNTUFHUXNJNM-LBPRGKRZSA-N 1 0 311.382 1.832 20 5 DDBDRO COc1cc([C@@H](C)[NH2+]CCCS(C)(=O)=O)cc([N+](=O)[O-])c1 ZINC000903091596 711029685 /nfs/dbraw/zinc/02/96/85/711029685.db2.gz XFUKHPHNCBDUPD-SNVBAGLBSA-N 1 0 316.379 1.689 20 5 DDBDRO C[N@@H+]1CCN(c2ccc([N+](=O)[O-])c3cccnc32)C[C@H]1CO ZINC000894887644 711308907 /nfs/dbraw/zinc/30/89/07/711308907.db2.gz HPTMYPZNQHIIDG-NSHDSACASA-N 1 0 302.334 1.256 20 5 DDBDRO CN(CC1C[NH+](C)C1)C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC000912456028 711335671 /nfs/dbraw/zinc/33/56/71/711335671.db2.gz XWGPGNRGNWGOAG-UHFFFAOYSA-N 1 0 312.757 1.464 20 5 DDBDRO C[C@@H]1C[NH2+]C[C@H]1CNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000903964304 711349692 /nfs/dbraw/zinc/34/96/92/711349692.db2.gz ISFNGEVDXDECGI-PWSUYJOCSA-N 1 0 307.350 1.311 20 5 DDBDRO O=[N+]([O-])c1c(F)nccc1NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000896526574 711738922 /nfs/dbraw/zinc/73/89/22/711738922.db2.gz YXEGEJLLAPNSRL-NSHDSACASA-N 1 0 310.329 1.794 20 5 DDBDRO CC1(C)C[NH2+]C[C@H]1NCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000904461480 711860824 /nfs/dbraw/zinc/86/08/24/711860824.db2.gz BLLRNFXERSRRQR-CQSZACIVSA-N 1 0 307.350 1.454 20 5 DDBDRO COc1cc(C[NH2+][C@@H]2COC[C@H]2C2CC2)c([N+](=O)[O-])cc1O ZINC000914432765 713394899 /nfs/dbraw/zinc/39/48/99/713394899.db2.gz DMKXZBDEWKXPKC-NWDGAFQWSA-N 1 0 308.334 1.824 20 5 DDBDRO C[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC000929228692 713571550 /nfs/dbraw/zinc/57/15/50/713571550.db2.gz RBOJWTAZQKGVQU-LSDHHAIUSA-N 1 0 303.362 1.862 20 5 DDBDRO C[NH+](C)CCOc1ccccc1N1CCN(CC[N+](=O)[O-])CC1 ZINC000929989889 713730502 /nfs/dbraw/zinc/73/05/02/713730502.db2.gz KHCLGVDCLOPERZ-UHFFFAOYSA-N 1 0 322.409 1.026 20 5 DDBDRO Cn1cc(CN2CCC([N@@H+]3CCCOCC3)CC2)c([N+](=O)[O-])n1 ZINC000931284593 714057382 /nfs/dbraw/zinc/05/73/82/714057382.db2.gz VWWLQEDSTPTJLV-UHFFFAOYSA-N 1 0 323.397 1.015 20 5 DDBDRO CC(C)[C@H]1CN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000923345735 714321816 /nfs/dbraw/zinc/32/18/16/714321816.db2.gz MIZOITYPFNBFMI-GDBMZVCRSA-N 1 0 323.393 1.264 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCC(F)(C3CC3)CC2)c1 ZINC000932631237 714370543 /nfs/dbraw/zinc/37/05/43/714370543.db2.gz ZDINUPITGORURA-CYBMUJFWSA-N 1 0 312.345 1.366 20 5 DDBDRO C[C@]12C[N@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC000933707301 714652497 /nfs/dbraw/zinc/65/24/97/714652497.db2.gz YCSRAVJDXLUOAI-PTNZTPPNSA-N 1 0 318.377 1.296 20 5 DDBDRO CC[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)CCC(=O)NC ZINC000933860496 714685408 /nfs/dbraw/zinc/68/54/08/714685408.db2.gz LVJXTKKRCWJKLI-UHFFFAOYSA-N 1 0 309.366 1.822 20 5 DDBDRO COc1ccc(NC(=O)CN(C)[C@H]2CC[C@H]2OC)c([N+](=O)[O-])c1 ZINC000934121145 714747284 /nfs/dbraw/zinc/74/72/84/714747284.db2.gz KOUPFODPQIFTKG-GXTWGEPZSA-N 1 0 323.349 1.651 20 5 DDBDRO O=[N+]([O-])c1cccc(CN2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)c1 ZINC000934255652 714776497 /nfs/dbraw/zinc/77/64/97/714776497.db2.gz UYKMPXXWQJCOLF-JKSUJKDBSA-N 1 0 305.378 1.626 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000925309437 714803168 /nfs/dbraw/zinc/80/31/68/714803168.db2.gz ZYLBKTMLDMCLLC-MWLCHTKSSA-N 1 0 308.338 1.818 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000934547764 714848509 /nfs/dbraw/zinc/84/85/09/714848509.db2.gz JEJQFWUGRDZFLK-ZDUSSCGKSA-N 1 0 323.397 1.194 20 5 DDBDRO CC1([NH2+]Cc2cncs2)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000940107708 716626874 /nfs/dbraw/zinc/62/68/74/716626874.db2.gz PPADDPHYWIRGJU-VXGBXAGGSA-N 1 0 324.406 1.279 20 5 DDBDRO [NH3+]CCc1nnn(-c2ccc(C(F)(F)F)c([N+](=O)[O-])c2)n1 ZINC001167790852 738625989 /nfs/dbraw/zinc/62/59/89/738625989.db2.gz NUSZNDQGLNIRHR-UHFFFAOYSA-N 1 0 302.216 1.091 20 5 DDBDRO C[NH2+]Cc1c(C)nn(-c2cc([N+](=O)[O-])cc(Cl)[n+]2[O-])c1C ZINC001167098963 732609451 /nfs/dbraw/zinc/60/94/51/732609451.db2.gz IGWBSZNSKLIDBH-UHFFFAOYSA-N 1 0 311.729 1.404 20 5 DDBDRO O=C(NC1CC2(C1)CC([NH2+]C/C=C/Cl)C2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001121087660 782351020 /nfs/dbraw/zinc/35/10/20/782351020.db2.gz SNFVQOUUTSGQLS-CKLPMJENSA-N 1 0 313.785 1.421 20 5 DDBDRO O=C(NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)C1CC(F)(F)C1 ZINC001125489279 733595609 /nfs/dbraw/zinc/59/56/09/733595609.db2.gz MJRKRMZJVSYKTN-UHFFFAOYSA-N 1 0 313.304 1.846 20 5 DDBDRO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC001121198267 782404589 /nfs/dbraw/zinc/40/45/89/782404589.db2.gz GKCMRVLRHFYRKH-MJBXVCDLSA-N 1 0 303.362 1.594 20 5 DDBDRO CC(=O)N1CCc2cc(-n3ccc(CC[NH3+])n3)cc([N+](=O)[O-])c21 ZINC001167731844 737218384 /nfs/dbraw/zinc/21/83/84/737218384.db2.gz YWQVWZQANPOPNT-UHFFFAOYSA-N 1 0 315.333 1.191 20 5 DDBDRO COc1c(O)ccc(C[NH2+][C@@H]2CCn3ccnc3C2)c1[N+](=O)[O-] ZINC001181054034 743037497 /nfs/dbraw/zinc/03/74/97/743037497.db2.gz DWXVUIWBILJFLV-LLVKDONJSA-N 1 0 318.333 1.610 20 5 DDBDRO CNC(=O)c1ccc(NC[C@@H]2C[NH+]3CCC2CC3)c([N+](=O)[O-])c1 ZINC001187880814 744631943 /nfs/dbraw/zinc/63/19/43/744631943.db2.gz QYGRLZYGPDJCGL-CYBMUJFWSA-N 1 0 318.377 1.708 20 5 DDBDRO [NH3+]CCc1nc(-c2ccccc2)nn1-c1cccnc1[N+](=O)[O-] ZINC001168714502 747358180 /nfs/dbraw/zinc/35/81/80/747358180.db2.gz VLOFFKGLMFXSME-UHFFFAOYSA-N 1 0 310.317 1.739 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2cccc3nsnc32)c1 ZINC001201192641 748431276 /nfs/dbraw/zinc/43/12/76/748431276.db2.gz UQWFTPYGNVMGKO-UHFFFAOYSA-N 1 0 304.335 1.586 20 5 DDBDRO CN1CCN(C(=[NH2+])Nc2ccc3c([N+](=O)[O-])c[nH]c3n2)CC1 ZINC001168736485 748458616 /nfs/dbraw/zinc/45/86/16/748458616.db2.gz MSFXTPKBAKDQIW-UHFFFAOYSA-N 1 0 303.326 1.065 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(NC/C=C/CNC(=O)CC[NH+](C)C)c1 ZINC001107489774 750045128 /nfs/dbraw/zinc/04/51/28/750045128.db2.gz IVPHNODJURRMJG-SNAWJCMRSA-N 1 0 320.393 1.939 20 5 DDBDRO [NH3+]CC[C@H]1CN(c2c(F)c([N+](=O)[O-])cc[n+]2[O-])c2ccccc21 ZINC001168545973 750571215 /nfs/dbraw/zinc/57/12/15/750571215.db2.gz SORYIBDSCSHJTQ-JTQLQIEISA-N 1 0 318.308 1.951 20 5 DDBDRO [NH3+]CCN(c1cccnc1)c1c[n+]([O-])c(Cl)cc1[N+](=O)[O-] ZINC001168832916 762060746 /nfs/dbraw/zinc/06/07/46/762060746.db2.gz YVMUKUHQCHOSRR-UHFFFAOYSA-N 1 0 309.713 1.373 20 5 DDBDRO O=C1C=CC(=O)N1CCCCCC[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168968811 762158509 /nfs/dbraw/zinc/15/85/09/762158509.db2.gz ALEFIDPNMUIJFP-KGLIPLIRSA-N 1 0 323.393 1.507 20 5 DDBDRO [NH3+][C@H]1CC[C@H](N=c2cnccn2[C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168994584 762167888 /nfs/dbraw/zinc/16/78/88/762167888.db2.gz QDYKIXBXLGOURT-TUVASFSCSA-N 1 0 319.409 1.672 20 5 DDBDRO COC[C@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)[C@@H](O)c1ccccc1 ZINC001168997270 762170207 /nfs/dbraw/zinc/17/02/07/762170207.db2.gz YLKCOLNWDIJQEK-OEAJRASXSA-N 1 0 308.378 1.770 20 5 DDBDRO [NH3+]Cc1ccc(-c2nnn([C@H]3CC[C@@H](C[N+](=O)[O-])C3)n2)cc1 ZINC001169000731 762171753 /nfs/dbraw/zinc/17/17/53/762171753.db2.gz AROGXGKVBWOPEB-YPMHNXCESA-N 1 0 302.338 1.417 20 5 DDBDRO CC(C)(C)OC(=O)N1CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169006943 762174985 /nfs/dbraw/zinc/17/49/85/762174985.db2.gz KKRMMQRDUFVXAD-STQMWFEESA-N 1 0 313.398 1.985 20 5 DDBDRO O=C(c1ccccn1)N1CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169050587 762206810 /nfs/dbraw/zinc/20/68/10/762206810.db2.gz BRDHNOPSFSZHKG-UONOGXRCSA-N 1 0 318.377 1.285 20 5 DDBDRO COc1nc(-n2ncc3c2cccc3C[NH3+])nc(C)c1[N+](=O)[O-] ZINC001169193654 762276108 /nfs/dbraw/zinc/27/61/08/762276108.db2.gz VYVPPZXKEIHNGM-UHFFFAOYSA-N 1 0 314.305 1.499 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@H](NC(=O)C2CC=CC2)C1 ZINC001020040327 760465962 /nfs/dbraw/zinc/46/59/62/760465962.db2.gz WUNPTFWEQAMFBX-HAQNSBGRSA-N 1 0 319.365 1.031 20 5 DDBDRO C[C@@H](Nc1ccc2cc([N+](=O)[O-])ccc2n1)[C@@H]1C[NH2+]CCO1 ZINC001170565673 768165121 /nfs/dbraw/zinc/16/51/21/768165121.db2.gz WBEBBEDUXKQDTG-YGRLFVJLSA-N 1 0 302.334 1.932 20 5 DDBDRO C[NH+](C)CCC(=O)N1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001113297505 765546804 /nfs/dbraw/zinc/54/68/04/765546804.db2.gz FQJMNEJSYMRZSK-UHFFFAOYSA-N 1 0 320.393 1.191 20 5 DDBDRO COc1ccc(C[C@H](C)[NH2+]CCN2CCOC2=O)c([N+](=O)[O-])c1 ZINC001170305486 766231013 /nfs/dbraw/zinc/23/10/13/766231013.db2.gz LMOBSABPCZIVQO-NSHDSACASA-N 1 0 323.349 1.576 20 5 DDBDRO COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2CCC(=O)N2C)c([N+](=O)[O-])c1 ZINC001170305642 766231637 /nfs/dbraw/zinc/23/16/37/766231637.db2.gz OKTDMJJSZOABSQ-YPMHNXCESA-N 1 0 321.377 1.745 20 5 DDBDRO COc1ccc(C[C@H](C)[NH2+][C@@H]2CCOC[C@H]2O)c([N+](=O)[O-])c1 ZINC001170309956 766259509 /nfs/dbraw/zinc/25/95/09/766259509.db2.gz UOAOIQQDAPOIGZ-PSOPSSQASA-N 1 0 310.350 1.274 20 5 DDBDRO COc1ccc(C[C@H](C)[NH+]2CC(C(=O)N(C)C)C2)c([N+](=O)[O-])c1 ZINC001170347510 766278324 /nfs/dbraw/zinc/27/83/24/766278324.db2.gz RPAFMGUFDIJBQL-NSHDSACASA-N 1 0 321.377 1.554 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(OC(C)C)cc1N[C@H]1C[NH2+]C[C@H]1CO ZINC001170790467 771318626 /nfs/dbraw/zinc/31/86/26/771318626.db2.gz XKAHVOPEGZXZTD-AAEUAGOBSA-N 1 0 309.366 1.683 20 5 DDBDRO Cc1cc(NCCN(C)CC[NH3+])nc2ccc([N+](=O)[O-])cc12 ZINC001159438083 771395320 /nfs/dbraw/zinc/39/53/20/771395320.db2.gz BDVLUHYNALVXDG-UHFFFAOYSA-N 1 0 303.366 1.754 20 5 DDBDRO O=C(Cc1ccco1)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001135587225 771589727 /nfs/dbraw/zinc/58/97/27/771589727.db2.gz QJHNOEAPNGYLOQ-UHFFFAOYSA-N 1 0 303.318 1.636 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(C(=O)NCCC[NH+]2CCCCC2)n1 ZINC001135668838 771643188 /nfs/dbraw/zinc/64/31/88/771643188.db2.gz QEEOCPXZQRBKFG-UHFFFAOYSA-N 1 0 306.366 1.904 20 5 DDBDRO CC[C@]([NH3+])(CO)Nc1cc([N+](=O)[O-])cc(Br)n1 ZINC001170866553 771783345 /nfs/dbraw/zinc/78/33/45/771783345.db2.gz YLJXYKMPPHKCRL-SECBINFHSA-N 1 0 305.132 1.222 20 5 DDBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001136922227 772211196 /nfs/dbraw/zinc/21/11/96/772211196.db2.gz AMYYMIPUZRVKFL-HZMBPMFUSA-N 1 0 306.366 1.589 20 5 DDBDRO COc1ncc([N+](=O)[O-])c(N2c3ccccc3OC[C@H]2C[NH3+])n1 ZINC001171389667 774335556 /nfs/dbraw/zinc/33/55/56/774335556.db2.gz ONLGNXCTIZRXHN-SECBINFHSA-N 1 0 317.305 1.251 20 5 DDBDRO COc1ccc(N2c3ccccc3OC[C@@H]2C[NH3+])nc1[N+](=O)[O-] ZINC001171390565 774348362 /nfs/dbraw/zinc/34/83/62/774348362.db2.gz WRSXFZDTHICOGG-JTQLQIEISA-N 1 0 316.317 1.856 20 5 DDBDRO CCC[N@H+](C)CCC(=O)NCCNc1ncc(C)cc1[N+](=O)[O-] ZINC001093770637 775066816 /nfs/dbraw/zinc/06/68/16/775066816.db2.gz AOPBKFFUJAUZBU-UHFFFAOYSA-N 1 0 323.397 1.558 20 5 DDBDRO O=C(Cn1ccnc1)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001177405610 778582798 /nfs/dbraw/zinc/58/27/98/778582798.db2.gz PTTMEVJUQWBOGH-UHFFFAOYSA-N 1 0 317.349 1.087 20 5 DDBDRO COc1cc(C[NH2+]CCC[C@@H]2CCOC2=O)c([N+](=O)[O-])cc1O ZINC001179511860 779403260 /nfs/dbraw/zinc/40/32/60/779403260.db2.gz HUVYCJWAGZTGFC-SNVBAGLBSA-N 1 0 324.333 1.742 20 5 DDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC001116230209 780487253 /nfs/dbraw/zinc/48/72/53/780487253.db2.gz URPUVMHRCBKOMS-GHMZBOCLSA-N 1 0 318.377 1.992 20 5 DDBDRO C[NH2+][C@@H](C)CCNC(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC001118032543 780996795 /nfs/dbraw/zinc/99/67/95/780996795.db2.gz RKSWYTSBSMYASM-JTQLQIEISA-N 1 0 310.354 1.401 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H](C(=O)NC2CC2)C1 ZINC001119305541 781399087 /nfs/dbraw/zinc/39/90/87/781399087.db2.gz CHTNRNDKEGTXGM-GFCCVEGCSA-N 1 0 321.381 1.090 20 5 DDBDRO Cc1ccc(CC[NH2+]CCCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC001268791182 840818524 /nfs/dbraw/zinc/81/85/24/840818524.db2.gz LWDBPXODHZHZIE-HZPDHXFCSA-N 1 0 319.405 1.641 20 5 DDBDRO O=C(NCC1([NH2+]Cc2cscn2)CCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001270743544 842863217 /nfs/dbraw/zinc/86/32/17/842863217.db2.gz SJRKJQFQFRWSIB-VXGBXAGGSA-N 1 0 324.406 1.327 20 5 DDBDRO CCOC(=O)c1c(C[NH3+])ncn1-c1nc(C)cc(C)c1[N+](=O)[O-] ZINC001155083785 861713291 /nfs/dbraw/zinc/71/32/91/861713291.db2.gz IKWCPTNWVIVQIZ-UHFFFAOYSA-N 1 0 319.321 1.428 20 5 DDBDRO Cc1nn(C)c(C)c1CNc1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001155329762 861965195 /nfs/dbraw/zinc/96/51/95/861965195.db2.gz MRDYGEZOOFTXIH-UHFFFAOYSA-N 1 0 317.353 1.034 20 5 DDBDRO C[C@@H](NC(=O)[C@]12C[NH2+]C[C@H]1CCOC2)c1cccc([N+](=O)[O-])c1 ZINC001121918839 858633424 /nfs/dbraw/zinc/63/34/24/858633424.db2.gz QCSKJIOBEIJHJT-KFNAQCHYSA-N 1 0 319.361 1.398 20 5 DDBDRO C[NH2+]CCOCCN(C)C(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001122168365 858701668 /nfs/dbraw/zinc/70/16/68/858701668.db2.gz NYCULGRBBDKDGO-HUUCEWRRSA-N 1 0 321.377 1.393 20 5 DDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC001122281359 858738030 /nfs/dbraw/zinc/73/80/30/858738030.db2.gz LVXGVGYWEGHTKS-GDBMZVCRSA-N 1 0 303.362 1.786 20 5 DDBDRO CCc1ccc(C(=O)N2CC[NH2+]C[C@H]2COC)cc1[N+](=O)[O-] ZINC001122419340 858802089 /nfs/dbraw/zinc/80/20/89/858802089.db2.gz OSRAZFXXWWERPT-ZDUSSCGKSA-N 1 0 307.350 1.218 20 5 DDBDRO O=C(COc1ccccc1[N+](=O)[O-])NCC[C@H]1CCC[NH2+]CC1 ZINC001122507628 858858297 /nfs/dbraw/zinc/85/82/97/858858297.db2.gz AZUTVOGKCYTXFH-ZDUSSCGKSA-N 1 0 321.377 1.870 20 5 DDBDRO CC(=O)CCCC(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001123479462 859253008 /nfs/dbraw/zinc/25/30/08/859253008.db2.gz BKTXMVUXJDUGRJ-UHFFFAOYSA-N 1 0 307.350 1.560 20 5 DDBDRO Cc1cc(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)nn1C ZINC001124277794 859662775 /nfs/dbraw/zinc/66/27/75/859662775.db2.gz MKPYJUXMCCGRJU-UHFFFAOYSA-N 1 0 317.349 1.156 20 5 DDBDRO Cc1ocnc1C(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001124375687 859696937 /nfs/dbraw/zinc/69/69/37/859696937.db2.gz LMPPPKKLAMIMTG-UHFFFAOYSA-N 1 0 310.335 1.472 20 5 DDBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccnc(F)c1 ZINC001124519966 859729065 /nfs/dbraw/zinc/72/90/65/859729065.db2.gz FYPNHIGUXZFHKD-UHFFFAOYSA-N 1 0 318.308 1.649 20 5 DDBDRO C[C@@H](CCNC(=O)c1cnc(N)c([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC001138168780 860029478 /nfs/dbraw/zinc/02/94/78/860029478.db2.gz ORCCTQHXVNGLBE-NSHDSACASA-N 1 0 321.381 1.566 20 5 DDBDRO O=C(NCCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1cccnc1 ZINC001154175830 860843901 /nfs/dbraw/zinc/84/39/01/860843901.db2.gz ZYPPUCBZVWRBIH-UHFFFAOYSA-N 1 0 320.374 1.961 20 5 DDBDRO O=C(NCCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1cnccn1 ZINC001154264594 860930848 /nfs/dbraw/zinc/93/08/48/860930848.db2.gz IHZAOSBSXIGJNA-UHFFFAOYSA-N 1 0 315.333 1.295 20 5 DDBDRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001328965799 863381155 /nfs/dbraw/zinc/38/11/55/863381155.db2.gz RCJHOVDFAYEEHB-LSDHHAIUSA-N 1 0 318.377 1.803 20 5 DDBDRO COC(=O)[C@@H](CCC[NH3+])Nc1ccc2cccc([N+](=O)[O-])c2n1 ZINC001157116418 863593824 /nfs/dbraw/zinc/59/38/24/863593824.db2.gz QYXAHUDYRHGRKD-LLVKDONJSA-N 1 0 318.333 1.835 20 5 DDBDRO COc1ncnc(N2CCCC[C@]23CCC[NH2+]C3)c1[N+](=O)[O-] ZINC001157471200 863843669 /nfs/dbraw/zinc/84/36/69/863843669.db2.gz FZXXSDGUUYJZGY-CQSZACIVSA-N 1 0 307.354 1.506 20 5 DDBDRO C[C@H]1[C@@H]([NH3+])CCCN1c1cc(/C=C/N(C)C)c([N+](=O)[O-])cn1 ZINC001157747577 864099853 /nfs/dbraw/zinc/09/98/53/864099853.db2.gz UZYRYOBBGFYMPA-FPUUUQIFSA-N 1 0 305.382 1.838 20 5 DDBDRO Cc1ccccc1CCC[NH2+]CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157775045 864129335 /nfs/dbraw/zinc/12/93/35/864129335.db2.gz JFJNWAZZYJCOPA-HZPDHXFCSA-N 1 0 319.405 1.689 20 5 DDBDRO CC[NH+](CC)C1CCN(CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC001330656001 864514773 /nfs/dbraw/zinc/51/47/73/864514773.db2.gz CFKCPGXJJUJFGJ-UHFFFAOYSA-N 1 0 309.414 1.906 20 5 DDBDRO O=[N+]([O-])c1cc(F)cnc1N1CCO[C@H](C[NH+]2CCCC2)C1 ZINC001158305879 864561115 /nfs/dbraw/zinc/56/11/15/864561115.db2.gz SXMDCWKSLZHYQG-GFCCVEGCSA-N 1 0 310.329 1.430 20 5 DDBDRO [NH3+]Cc1cnnn1-c1cc(Cl)nc2ccc([N+](=O)[O-])cc21 ZINC001158427900 864648569 /nfs/dbraw/zinc/64/85/69/864648569.db2.gz JYVCXXFZDCRILV-UHFFFAOYSA-N 1 0 304.697 1.836 20 5 DDBDRO [NH3+]Cc1ccc2nnn(-c3cc(Cl)cc([N+](=O)[O-])n3)c2c1 ZINC001159025907 865052827 /nfs/dbraw/zinc/05/28/27/865052827.db2.gz AQYHDNBCKXETEM-UHFFFAOYSA-N 1 0 304.697 1.836 20 5 DDBDRO [NH3+]Cc1ccc2nnn(-c3cc([N+](=O)[O-])cc(Cl)[n+]3[O-])c2c1 ZINC001159029187 865056462 /nfs/dbraw/zinc/05/64/62/865056462.db2.gz LBGAWAGHIIRYPK-UHFFFAOYSA-N 1 0 320.696 1.074 20 5 DDBDRO CC(C)[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001159150961 865132761 /nfs/dbraw/zinc/13/27/61/865132761.db2.gz NBZVOABODBKXLB-NWDGAFQWSA-N 1 0 321.381 1.653 20 5 DDBDRO C[C@H]1CN(c2ncc([N+](=O)[O-])c3ccccc32)CC[N@@H+]1CCO ZINC001331599359 865174898 /nfs/dbraw/zinc/17/48/98/865174898.db2.gz CPNPWDXUWHTRBQ-LBPRGKRZSA-N 1 0 316.361 1.646 20 5 DDBDRO CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNc2ncc(F)cc2[N+](=O)[O-])O1 ZINC001159239150 865178239 /nfs/dbraw/zinc/17/82/39/865178239.db2.gz XJVDPPITRJVOTI-NQBHXWOUSA-N 1 0 314.317 1.266 20 5 DDBDRO O=[N+]([O-])c1c(Cl)c2ccccc2nc1N[C@@H]1C[NH2+]C[C@H]1CO ZINC001159674699 865463841 /nfs/dbraw/zinc/46/38/41/865463841.db2.gz ALVKCVPKGHMUQV-GZMMTYOYSA-N 1 0 322.752 1.789 20 5 DDBDRO Cc1cccc(C[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1 ZINC001277054372 881889963 /nfs/dbraw/zinc/88/99/63/881889963.db2.gz DFPXIIQSFGRJKS-ZIAGYGMSSA-N 1 0 303.362 1.399 20 5 DDBDRO CC[N@H+](C)[C@H]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2C)C1 ZINC001160160794 865704839 /nfs/dbraw/zinc/70/48/39/865704839.db2.gz RPTGJWNSXCGWES-AWEZNQCLSA-N 1 0 305.378 1.998 20 5 DDBDRO [NH3+]C[C@]1(Nc2cc([N+](=O)[O-])cc(Cl)n2)CN2CCC1CC2 ZINC001160508718 865888961 /nfs/dbraw/zinc/88/89/61/865888961.db2.gz JHQBKFYSRYZHHW-ZDUSSCGKSA-N 1 0 311.773 1.478 20 5 DDBDRO CC1([NH+]2CCCCC2)CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC001332507863 865893798 /nfs/dbraw/zinc/89/37/98/865893798.db2.gz OLMLRNFKDOWDSX-UHFFFAOYSA-N 1 0 321.381 1.799 20 5 DDBDRO COc1cnc(N(C2COC2)[C@H]2CC[C@H]([NH3+])CC2)c([N+](=O)[O-])c1 ZINC001161276778 866486363 /nfs/dbraw/zinc/48/63/63/866486363.db2.gz JLLUXFNRNZFMME-XYPYZODXSA-N 1 0 322.365 1.474 20 5 DDBDRO C[NH2+]C[C@H]1CCCCN1C(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC001333235782 866547962 /nfs/dbraw/zinc/54/79/62/866547962.db2.gz JKIHISMELXFWNV-CYBMUJFWSA-N 1 0 321.377 1.746 20 5 DDBDRO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC001320750987 867001654 /nfs/dbraw/zinc/00/16/54/867001654.db2.gz RSJRIPIMPLOPSY-KBPBESRZSA-N 1 0 306.366 1.780 20 5 DDBDRO CCc1n[nH]c(C(=O)N[C@H]2CCCC[C@@H]2[NH+](C)C)c1[N+](=O)[O-] ZINC001320805514 867042883 /nfs/dbraw/zinc/04/28/83/867042883.db2.gz WYRVGQBUIPPBPB-QWRGUYRKSA-N 1 0 309.370 1.483 20 5 DDBDRO CC1(C)C[NH2+]C[C@H](CNc2cc([N+](=O)[O-])cc(Cl)n2)O1 ZINC001161950164 867129960 /nfs/dbraw/zinc/12/99/60/867129960.db2.gz BQLRITPQUSHUPD-SECBINFHSA-N 1 0 300.746 1.822 20 5 DDBDRO [NH3+]C[C@@H]1Cc2ccccc2CN1c1cc([N+](=O)[O-])cc[n+]1[O-] ZINC001162740605 867789150 /nfs/dbraw/zinc/78/91/50/867789150.db2.gz JBPFZBYLTYJNEA-AWEZNQCLSA-N 1 0 300.318 1.118 20 5 DDBDRO [NH3+][C@@H]1Cc2ccccc2N(c2ncnc3[nH]cc([N+](=O)[O-])c32)C1 ZINC001162843857 867859947 /nfs/dbraw/zinc/85/99/47/867859947.db2.gz IXMBVUIKNAOQOU-SNVBAGLBSA-N 1 0 310.317 1.888 20 5 DDBDRO O=[N+]([O-])c1cc[n+]([O-])cc1NCC[C@@H]1C[NH2+]Cc2cccn2C1 ZINC001163061024 868046291 /nfs/dbraw/zinc/04/62/91/868046291.db2.gz QXUVRIRNJNWCHQ-GFCCVEGCSA-N 1 0 317.349 1.251 20 5 DDBDRO O=[N+]([O-])c1c(N[C@@H]2COCCC23C[NH2+]C3)ccc2ncccc21 ZINC001163080860 868064522 /nfs/dbraw/zinc/06/45/22/868064522.db2.gz UVXVXZQHRFGBNJ-CQSZACIVSA-N 1 0 314.345 1.933 20 5 DDBDRO O=[N+]([O-])c1c[nH]c2nc(NC[C@H]3OC[C@H]4C[NH2+]CC[C@H]43)ccc12 ZINC001163159001 868171690 /nfs/dbraw/zinc/17/16/90/868171690.db2.gz DRLZDFWCWKAVFG-GIPNMCIBSA-N 1 0 317.349 1.508 20 5 DDBDRO O=C1C[C@H]2[NH2+]CC[C@@]2(Nc2nccc3c2cccc3[N+](=O)[O-])N1 ZINC001163236007 868241938 /nfs/dbraw/zinc/24/19/38/868241938.db2.gz DIYPEPWMVJSPLU-DOMZBBRYSA-N 1 0 313.317 1.133 20 5 DDBDRO O=C1C[C@H]2[NH2+]CC[C@@]2(Nc2cc3cc[nH]c3c([N+](=O)[O-])c2)N1 ZINC001163248274 868255491 /nfs/dbraw/zinc/25/54/91/868255491.db2.gz GMCXHMZJVHCNCM-BXUZGUMPSA-N 1 0 301.306 1.066 20 5 DDBDRO CNc1cc([N+](=O)[O-])cnc1N[C@H]1CCO[C@]2(CC[NH2+]C2)C1 ZINC001163310062 868336382 /nfs/dbraw/zinc/33/63/82/868336382.db2.gz JTNTVAQYERDSCA-IINYFYTJSA-N 1 0 307.354 1.355 20 5 DDBDRO COc1cc(N[C@@H]2CCO[C@@]3(CC[NH2+]C3)C2)cnc1[N+](=O)[O-] ZINC001163327008 868357338 /nfs/dbraw/zinc/35/73/38/868357338.db2.gz IKYQKGAFEYUSJW-YGRLFVJLSA-N 1 0 308.338 1.321 20 5 DDBDRO C[C@@H]1C[NH2+]C[C@H]1CNC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC001335603619 868415104 /nfs/dbraw/zinc/41/51/04/868415104.db2.gz HSFWLJUGJNUEKR-YPMHNXCESA-N 1 0 306.366 1.592 20 5 DDBDRO [NH3+]CCCC[C@H](Nc1cc([N+](=O)[O-])ccn1)C(=O)N1CCCC1 ZINC001163455227 868463463 /nfs/dbraw/zinc/46/34/63/868463463.db2.gz GPYJMVCMSGVTDS-ZDUSSCGKSA-N 1 0 321.381 1.522 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H]2C[C@H]2C(F)(F)F)c1 ZINC001335986231 868661431 /nfs/dbraw/zinc/66/14/31/868661431.db2.gz LFOKAYKKLBILFL-YUSALJHKSA-N 1 0 320.267 1.875 20 5 DDBDRO CO[C@@H]1CC[N@H+](CCOc2ccnc(Cl)c2[N+](=O)[O-])C1 ZINC001228061829 883309629 /nfs/dbraw/zinc/30/96/29/883309629.db2.gz XKRQZGGDODRQOZ-SECBINFHSA-N 1 0 301.730 1.743 20 5 DDBDRO COc1ncc([N+](=O)[O-])cc1NCC1([NH+](C)C)CCN(C)CC1 ZINC001164210301 869017825 /nfs/dbraw/zinc/01/78/25/869017825.db2.gz BGVAJZIUUJXZAW-UHFFFAOYSA-N 1 0 323.397 1.436 20 5 DDBDRO C[C@@](O)(C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC001336699023 869098092 /nfs/dbraw/zinc/09/80/92/869098092.db2.gz JATJWZZRZYIOIN-GHMZBOCLSA-N 1 0 308.256 1.531 20 5 DDBDRO COc1cc2ncnc(N3CCC[C@@H]4[NH2+]C[C@@H]43)c2cc1[N+](=O)[O-] ZINC001165389243 869560963 /nfs/dbraw/zinc/56/09/63/869560963.db2.gz GCLLOBUKZFPRMC-GWCFXTLKSA-N 1 0 315.333 1.487 20 5 DDBDRO CSc1nc(Cl)nc(N2CCC[C@H]3[NH2+]C[C@H]32)c1[N+](=O)[O-] ZINC001165394120 869565199 /nfs/dbraw/zinc/56/51/99/869565199.db2.gz PGUIBDSJAAIYFE-RNFRBKRXSA-N 1 0 315.786 1.701 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[C@@H]2C[N@@H+](C)C[C@@H]12 ZINC001337837202 869651358 /nfs/dbraw/zinc/65/13/58/869651358.db2.gz YYQGGKGDUZPYOX-LERXQTSPSA-N 1 0 304.350 1.368 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc2c(O)cccc2n1 ZINC001226284328 882324744 /nfs/dbraw/zinc/32/47/44/882324744.db2.gz BGFAPMZQIOOIOY-LLVKDONJSA-O 1 0 305.354 1.303 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C3CCOCC3)CC2)nc1 ZINC001337971942 869722113 /nfs/dbraw/zinc/72/21/13/869722113.db2.gz XBZUMVQIBVPZKY-UHFFFAOYSA-N 1 0 306.366 1.727 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21 ZINC001338162363 869842024 /nfs/dbraw/zinc/84/20/24/869842024.db2.gz INNDGLOMTNNDQS-XJKSGUPXSA-N 1 0 321.377 1.541 20 5 DDBDRO [NH3+]CCc1nccn1-c1cc([N+](=O)[O-])cc(Br)n1 ZINC001166352009 869964058 /nfs/dbraw/zinc/96/40/58/869964058.db2.gz WQQQWTXIQDYSJS-UHFFFAOYSA-N 1 0 312.127 1.439 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])c(-n2ccc([C@H]3CCC[NH2+]3)nc2=N)n1 ZINC001166702090 870170313 /nfs/dbraw/zinc/17/03/13/870170313.db2.gz VDXOQLFQDGDWNH-LLVKDONJSA-N 1 0 314.349 1.696 20 5 DDBDRO Cc1ccc(NCCCNC(=O)C23CC(C2)C[NH2+]3)c([N+](=O)[O-])c1 ZINC001339968489 870810830 /nfs/dbraw/zinc/81/08/30/870810830.db2.gz HZDGVIFYHCJHPG-UHFFFAOYSA-N 1 0 318.377 1.573 20 5 DDBDRO O=C([C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC001340180056 870941532 /nfs/dbraw/zinc/94/15/32/870941532.db2.gz ALARZOOYBQFUQS-QCEMKRCNSA-N 1 0 315.373 1.909 20 5 DDBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC2CC1(C[NH3+])C2 ZINC001340753200 871329681 /nfs/dbraw/zinc/32/96/81/871329681.db2.gz PIIYZGKFDLLJQC-UHFFFAOYSA-N 1 0 307.375 1.880 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCCC[C@]23CCCOC3)c1 ZINC001308171586 871478558 /nfs/dbraw/zinc/47/85/58/871478558.db2.gz VKCLWKIADIORFB-LSDHHAIUSA-N 1 0 324.381 1.187 20 5 DDBDRO CN(CC(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)c1ccccc1[N+](=O)[O-] ZINC001341271638 871584856 /nfs/dbraw/zinc/58/48/56/871584856.db2.gz JIAYIRIZQKYNPD-QWHCGFSZSA-N 1 0 318.377 1.099 20 5 DDBDRO C[C@H](CNC(=O)C[C@@H]1C[NH2+]CCO1)c1ccccc1[N+](=O)[O-] ZINC001341429674 871656468 /nfs/dbraw/zinc/65/64/68/871656468.db2.gz VTKVVDGEOVRJBD-VXGBXAGGSA-N 1 0 307.350 1.193 20 5 DDBDRO COCC[C@H]1C[NH2+]CCN1C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC001341470582 871670570 /nfs/dbraw/zinc/67/05/70/871670570.db2.gz WQLOZQIGJYAYKV-NSHDSACASA-N 1 0 311.313 1.184 20 5 DDBDRO CN(CC(=O)N1CCC2(C[NH2+]C2)CC1)c1ccccc1[N+](=O)[O-] ZINC001342070176 871985710 /nfs/dbraw/zinc/98/57/10/871985710.db2.gz PBHSVJXWNSDEPW-UHFFFAOYSA-N 1 0 318.377 1.243 20 5 DDBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC2(C[NH2+]C2)CC1 ZINC001342071672 871986958 /nfs/dbraw/zinc/98/69/58/871986958.db2.gz ROJRLANIAFWLKD-UHFFFAOYSA-N 1 0 303.362 1.739 20 5 DDBDRO CO[C@H]1C[NH2+][C@@](C)(C(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC001342594129 872285838 /nfs/dbraw/zinc/28/58/38/872285838.db2.gz ZDWLOAWFPFKNLC-WDBKCZKBSA-N 1 0 307.350 1.539 20 5 DDBDRO [NH3+]C1(CNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC001342814690 872396782 /nfs/dbraw/zinc/39/67/82/872396782.db2.gz HOTOXHJQGGWPTH-UHFFFAOYSA-N 1 0 315.782 1.948 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N1CCC[C@]12CC[NH2+]C2 ZINC001343033742 872477455 /nfs/dbraw/zinc/47/74/55/872477455.db2.gz OLBRZXHGWFQART-OAHLLOKOSA-N 1 0 305.334 1.328 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1[C@H](C)C[NH2+][C@@H](C)[C@@H]1C ZINC001344845983 873142858 /nfs/dbraw/zinc/14/28/58/873142858.db2.gz HRYNSSNXOUBUDQ-VWYCJHECSA-N 1 0 309.370 1.087 20 5 DDBDRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001345153439 873275886 /nfs/dbraw/zinc/27/58/86/873275886.db2.gz KPOLGOOLMBKKNK-ZWNOBZJWSA-N 1 0 304.350 1.747 20 5 DDBDRO COc1c(O)ccc(CNC[C@H]2C[NH+]3CCC2CC3)c1[N+](=O)[O-] ZINC001207724261 873506546 /nfs/dbraw/zinc/50/65/46/873506546.db2.gz VUQJJKQSPJXKFQ-ZDUSSCGKSA-N 1 0 321.377 1.740 20 5 DDBDRO Cc1cc(NC(=O)NCC[N@@H+]2CCCOCC2)cc([N+](=O)[O-])c1 ZINC001346655055 873838149 /nfs/dbraw/zinc/83/81/49/873838149.db2.gz DMJLOZUZWUJRGA-UHFFFAOYSA-N 1 0 322.365 1.747 20 5 DDBDRO COC(=O)c1cccc([N+](=O)[O-])c1O[C@H]1C[NH+]2CCC1CC2 ZINC001227122326 882850799 /nfs/dbraw/zinc/85/07/99/882850799.db2.gz NFUGSGAYSMOGPV-ZDUSSCGKSA-N 1 0 306.318 1.854 20 5 DDBDRO NC(=O)c1cc(N2CCC[N@@H+]3CCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC001350441023 875692254 /nfs/dbraw/zinc/69/22/54/875692254.db2.gz OYDUAHJYZYJKBT-LBPRGKRZSA-N 1 0 304.350 1.368 20 5 DDBDRO O=[N+]([O-])c1ncccc1-c1nc(-c2ccc3c(n2)CC[NH2+]C3)no1 ZINC001213174551 875842590 /nfs/dbraw/zinc/84/25/90/875842590.db2.gz NHVZXASWSDLOIF-UHFFFAOYSA-N 1 0 324.300 1.748 20 5 DDBDRO Cc1ccc(C(=O)N2CC[C@](O)(C[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC001352535518 876796749 /nfs/dbraw/zinc/79/67/49/876796749.db2.gz CGUCHLLUNOUSLM-HNNXBMFYSA-N 1 0 307.350 1.042 20 5 DDBDRO Cc1cncc([N+](=O)[O-])c1NC(=O)N1CC[NH+](C(C)(C)C)CC1 ZINC001352917264 877007938 /nfs/dbraw/zinc/00/79/38/877007938.db2.gz NDPGMEFAPNBNGJ-UHFFFAOYSA-N 1 0 321.381 1.668 20 5 DDBDRO Nc1ccc2n(C(=O)C[C@H](O)C[NH3+])c3ccccc3cc-2c1=O ZINC001219254181 878061003 /nfs/dbraw/zinc/06/10/03/878061003.db2.gz VKPKCEBWWNEHHH-NSHDSACASA-N 1 0 311.341 1.038 20 5 DDBDRO O=C([C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001355095189 878424284 /nfs/dbraw/zinc/42/42/84/878424284.db2.gz PXTRBVNIUZHVQC-XNISGKROSA-N 1 0 315.373 1.766 20 5 DDBDRO C[C@H](NC(=O)N[C@H]1C[NH2+]CC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC001357667804 880126798 /nfs/dbraw/zinc/12/67/98/880126798.db2.gz HOINOKLADVFEFF-GWCFXTLKSA-N 1 0 306.366 1.953 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)OCc1nnc(-c2ccccc2)o1 ZINC001222933393 880749127 /nfs/dbraw/zinc/74/91/27/880749127.db2.gz JZEVLLDYONACPO-CYBMUJFWSA-N 1 0 320.369 1.237 20 5 DDBDRO COC(=O)c1cc(CO[C@H]2CCC[N@H+](C)C2)cc([N+](=O)[O-])c1 ZINC001223689054 881057678 /nfs/dbraw/zinc/05/76/78/881057678.db2.gz SYAGNIRAJSMFGO-AWEZNQCLSA-N 1 0 308.334 1.992 20 5 DDBDRO CC(=O)Oc1ccccc1COC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001224037801 881188900 /nfs/dbraw/zinc/18/89/00/881188900.db2.gz GULKKOHJNJUZQH-CQSZACIVSA-N 1 0 310.370 1.112 20 5 DDBDRO C[C@H](C[N+](C)(C)C)OCc1cccc(NS(C)(=O)=O)c1 ZINC001224056211 881199307 /nfs/dbraw/zinc/19/93/07/881199307.db2.gz WTVAGTUASMVYPF-GFCCVEGCSA-N 1 0 301.432 1.669 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cc([N+](=O)[O-])cc(F)c1F ZINC001228015613 883289790 /nfs/dbraw/zinc/28/97/90/883289790.db2.gz FGJZDLCPXGELRM-SECBINFHSA-N 1 0 319.284 1.236 20 5 DDBDRO Cc1ccc2c(ccnc2OC(=O)C[C@@H](O)C[N+](C)(C)C)c1 ZINC001228637680 883585257 /nfs/dbraw/zinc/58/52/57/883585257.db2.gz WZXYTRGQOGUQTF-CQSZACIVSA-N 1 0 303.382 1.906 20 5 DDBDRO COC(=O)c1c(OCC[N@H+]2CC[C@@H](OC)C2)cccc1[N+](=O)[O-] ZINC001229049782 883792401 /nfs/dbraw/zinc/79/24/01/883792401.db2.gz LEGKUKKKUQHXPT-LLVKDONJSA-N 1 0 324.333 1.481 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc(/C=C/[N+](=O)[O-])cc1 ZINC001229119498 883829062 /nfs/dbraw/zinc/82/90/62/883829062.db2.gz OIAZFMJZYIBUKW-MMQHEFTJSA-N 1 0 309.342 1.297 20 5 DDBDRO COC(=O)c1cc(O[C@@H]2CCC[N@H+](C)C2)c(F)cc1[N+](=O)[O-] ZINC001229942921 884239806 /nfs/dbraw/zinc/23/98/06/884239806.db2.gz RHZOZWAZWOTFJM-SECBINFHSA-N 1 0 312.297 1.994 20 5 DDBDRO CC(=O)Nc1ccc([N+](=O)[O-])cc1OC[C@H]1CN(C)CCO1 ZINC001230245885 884389620 /nfs/dbraw/zinc/38/96/20/884389620.db2.gz DZIYHFACCSTFKV-GFCCVEGCSA-N 1 0 309.322 1.263 20 5 DDBDRO COC(=O)[C@H](CCCC[NH3+])N[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001246149212 892443572 /nfs/dbraw/zinc/44/35/72/892443572.db2.gz APCOTOQXFZVYHD-ZFWWWQNUSA-N 1 0 321.377 1.322 20 5 DDBDRO [NH3+][C@@H]1CN([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC[C@H]1O ZINC001246570256 892703485 /nfs/dbraw/zinc/70/34/85/892703485.db2.gz FODGUVSEYDJIPZ-FVQBIDKESA-N 1 0 305.378 1.236 20 5 DDBDRO N[C@@H](C[NH3+])c1nc(-c2ccc3ccc4cccnc4c3n2)no1 ZINC001247693092 893296517 /nfs/dbraw/zinc/29/65/17/893296517.db2.gz WJLAGMXCCWSGCG-NSHDSACASA-N 1 0 306.329 1.792 20 5 DDBDRO N[C@H](CCCC[NH3+])c1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001247698397 893301166 /nfs/dbraw/zinc/30/11/66/893301166.db2.gz GRJXQBHAZOSXGM-MRVPVSSYSA-N 1 0 310.289 1.308 20 5 DDBDRO COC(=O)[C@@H](CCCC[NH3+])N[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254537950 896494084 /nfs/dbraw/zinc/49/40/84/896494084.db2.gz KODIAHCDIQIDPL-TZMCWYRMSA-N 1 0 323.393 1.786 20 5 DDBDRO CCN(CC)C(=O)[C@@H](C)[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254581438 896512794 /nfs/dbraw/zinc/51/27/94/896512794.db2.gz KHDRLJQSWUALOZ-RISCZKNCSA-N 1 0 305.378 1.909 20 5 DDBDRO CC(=O)N1CC[C@@H](C[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254587355 896517893 /nfs/dbraw/zinc/51/78/93/896517893.db2.gz PNKHEDXTNCTGNS-WFASDCNBSA-N 1 0 303.362 1.520 20 5 DDBDRO CC(=O)N1CCC[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254601095 896525073 /nfs/dbraw/zinc/52/50/73/896525073.db2.gz ZGLCGSBFIFJSJL-INIZCTEOSA-N 1 0 303.362 1.616 20 5 DDBDRO CCNC(=O)[C@@H]1CCC[N@@H+]1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254605225 896526530 /nfs/dbraw/zinc/52/65/30/896526530.db2.gz AKDKZKQSCQPJNW-GJZGRUSLSA-N 1 0 303.362 1.663 20 5 DDBDRO CCOC(=O)[C@H]1CC[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254605016 896528095 /nfs/dbraw/zinc/52/80/95/896528095.db2.gz ZTGIHZHPVJIJNU-SWLSCSKDSA-N 1 0 304.346 1.947 20 5 DDBDRO COc1cc(N2CCC([NH2+]CCCO)CC2)ccc1[N+](=O)[O-] ZINC001256082615 897277774 /nfs/dbraw/zinc/27/77/74/897277774.db2.gz KJKKHYLQURANBW-UHFFFAOYSA-N 1 0 309.366 1.544 20 5 DDBDRO COc1cc(N2CCC(N(C)OCC[NH3+])CC2)ccc1[N+](=O)[O-] ZINC001256088501 897279351 /nfs/dbraw/zinc/27/93/51/897279351.db2.gz HZHNKZWPLRVBNH-UHFFFAOYSA-N 1 0 324.381 1.394 20 5 DDBDRO [NH3+][C@H]1CCCC[C@@H]1C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001261495628 899607996 /nfs/dbraw/zinc/60/79/96/899607996.db2.gz NSNSOJRMIHLBMD-ONGXEEELSA-N 1 0 303.322 1.927 20 5 DDBDRO Cc1cc(C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)ccc1[N+](=O)[O-] ZINC001262049196 899912392 /nfs/dbraw/zinc/91/23/92/899912392.db2.gz OXIZTEMCVWEGSG-NSHDSACASA-N 1 0 313.304 1.878 20 5 DDBDRO C[C@H](NC(=O)NC[C@@H]1C[NH2+]C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC001262563845 900247139 /nfs/dbraw/zinc/24/71/39/900247139.db2.gz QFNMDJZOFBKCMB-MDZLAQPJSA-N 1 0 306.366 1.811 20 5 DDBDRO COc1cc(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](C)C[C@H]23)ccc1[N+](=O)[O-] ZINC001262826283 900387571 /nfs/dbraw/zinc/38/75/71/900387571.db2.gz GXWCKKDOLBDUGO-FRRDWIJNSA-N 1 0 319.361 1.673 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CC([NH2+][C@@H]3CCOC3)C2)c2ncccc12 ZINC001307216886 916579890 /nfs/dbraw/zinc/57/98/90/916579890.db2.gz AXWGHMLFFGCBSE-LLVKDONJSA-N 1 0 314.345 1.710 20 5 DDBDRO C[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1)C[NH+]1CCCC1 ZINC000076924484 185055792 /nfs/dbraw/zinc/05/57/92/185055792.db2.gz NZCZGZGIYRDHJZ-CYBMUJFWSA-N 1 0 305.378 1.985 20 5 DDBDRO COc1ccc(CNC(=O)[C@H]2CCC[N@@H+]2C2CC2)cc1[N+](=O)[O-] ZINC000278396057 214139952 /nfs/dbraw/zinc/13/99/52/214139952.db2.gz FGJSMZMFOGGZSJ-CYBMUJFWSA-N 1 0 319.361 1.846 20 5 DDBDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000278571749 214245492 /nfs/dbraw/zinc/24/54/92/214245492.db2.gz XJYRFYYSQMGONE-LLVKDONJSA-N 1 0 323.349 1.513 20 5 DDBDRO Cc1cnc(N2CC[N@H+](C3CCOCC3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000278684253 214324499 /nfs/dbraw/zinc/32/44/99/214324499.db2.gz DONPPXDIJPIHRP-CYBMUJFWSA-N 1 0 320.393 1.988 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)[C@H](C)C(C)(C)O ZINC000451358755 231075652 /nfs/dbraw/zinc/07/56/52/231075652.db2.gz HBLJBFZDUFYVNF-LLVKDONJSA-N 1 0 309.366 1.933 20 5 DDBDRO C[C@H]([NH2+][C@@H]1COCC1(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000451815382 231202096 /nfs/dbraw/zinc/20/20/96/231202096.db2.gz ZMYBXVMIIKNOKV-GXFFZTMASA-N 1 0 307.350 1.936 20 5 DDBDRO COC[C@@]1(CO)CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000451925623 231235305 /nfs/dbraw/zinc/23/53/05/231235305.db2.gz LDZHPZPYBIMJSJ-HNNXBMFYSA-N 1 0 310.350 1.304 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000452064913 231288172 /nfs/dbraw/zinc/28/81/72/231288172.db2.gz GVJCZNSNDVTOCR-BXUZGUMPSA-N 1 0 321.377 1.935 20 5 DDBDRO O=[N+]([O-])c1cc(Br)ccc1OC[C@H]1C[NH2+]CCO1 ZINC000088086559 185239406 /nfs/dbraw/zinc/23/94/06/185239406.db2.gz DZHBGXFCZDPQDB-SECBINFHSA-N 1 0 317.139 1.725 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCC(n2ccnc2)CC1 ZINC000090551934 185302890 /nfs/dbraw/zinc/30/28/90/185302890.db2.gz NNCKVEWYBWYETL-UHFFFAOYSA-N 1 0 317.349 1.290 20 5 DDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000447247120 529730818 /nfs/dbraw/zinc/73/08/18/529730818.db2.gz IHLHYYHOZPMMFB-BXKDBHETSA-N 1 0 313.379 1.125 20 5 DDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NCC[C@@H]1CCC[NH2+]C1 ZINC000420217866 529932786 /nfs/dbraw/zinc/93/27/86/529932786.db2.gz XSHQRCNZOQYAKD-NSHDSACASA-N 1 0 306.366 1.756 20 5 DDBDRO C[NH2+]C[C@@H]1CCCN(C(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)C1 ZINC000422723874 529988221 /nfs/dbraw/zinc/98/82/21/529988221.db2.gz SSDLRISMUMELMK-LBPRGKRZSA-N 1 0 321.377 1.983 20 5 DDBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]C[C@@H]1CC[C@@H](O)C1)OCCO2 ZINC000616094553 362544710 /nfs/dbraw/zinc/54/47/10/362544710.db2.gz BWNUZOMQSAATPO-ZYHUDNBSSA-N 1 0 308.334 1.617 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000330909832 232156150 /nfs/dbraw/zinc/15/61/50/232156150.db2.gz PCAOEXHMXVKKFG-PWSUYJOCSA-N 1 0 309.370 1.089 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000319936223 290818859 /nfs/dbraw/zinc/81/88/59/290818859.db2.gz AIPMETJSZZMNED-ZJUUUORDSA-N 1 0 301.368 1.307 20 5 DDBDRO C[NH+](C)CCCNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272618798 210019743 /nfs/dbraw/zinc/01/97/43/210019743.db2.gz XXEVGFHXCXTCHU-UHFFFAOYSA-N 1 0 301.293 1.755 20 5 DDBDRO CN(CC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000080393476 192155297 /nfs/dbraw/zinc/15/52/97/192155297.db2.gz GZSXYXJSYJOZGZ-UHFFFAOYSA-N 1 0 320.393 1.829 20 5 DDBDRO C[C@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H]1[NH+](C)C ZINC000331409617 233359091 /nfs/dbraw/zinc/35/90/91/233359091.db2.gz CFIAKZBAMMFANJ-IINYFYTJSA-N 1 0 303.366 1.853 20 5 DDBDRO O=C([C@H]1CCC[NH2+]C1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000194281165 186276425 /nfs/dbraw/zinc/27/64/25/186276425.db2.gz RDQYERGYSHHSCJ-ZDUSSCGKSA-N 1 0 318.377 1.243 20 5 DDBDRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000237475170 186295054 /nfs/dbraw/zinc/29/50/54/186295054.db2.gz HYRDKEZIGNZMNB-DTWKUNHWSA-N 1 0 310.329 1.516 20 5 DDBDRO C[NH+](C)C[C@H]1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000172030044 198028461 /nfs/dbraw/zinc/02/84/61/198028461.db2.gz HRZLPMIICUAZCE-CYBMUJFWSA-N 1 0 320.393 1.807 20 5 DDBDRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000028013109 352225599 /nfs/dbraw/zinc/22/55/99/352225599.db2.gz VKVRQILRABDBTC-ZDUSSCGKSA-N 1 0 321.377 1.681 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2[C@@H]3CC[C@H]2CC[N@@H+](C)C3)c1 ZINC000579287593 422741697 /nfs/dbraw/zinc/74/16/97/422741697.db2.gz LWSSVLNWJJHFPX-NWDGAFQWSA-N 1 0 319.361 1.912 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000331719399 234042478 /nfs/dbraw/zinc/04/24/78/234042478.db2.gz QXIRWGVNCCZTAQ-LSDHHAIUSA-N 1 0 319.361 1.717 20 5 DDBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000063852179 352927567 /nfs/dbraw/zinc/92/75/67/352927567.db2.gz TUBMIAMPHDXFNI-AWEZNQCLSA-N 1 0 305.378 1.985 20 5 DDBDRO Cc1sc(S(=O)(=O)N[C@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000344906562 282867648 /nfs/dbraw/zinc/86/76/48/282867648.db2.gz KZXGYNKDBJMIKD-SSDOTTSWSA-N 1 0 307.397 1.193 20 5 DDBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000069370708 353159039 /nfs/dbraw/zinc/15/90/39/353159039.db2.gz OVKGAJRFPXTFTJ-ZDUSSCGKSA-N 1 0 321.377 1.746 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)CC[C@@H](C)O ZINC000072712803 353210701 /nfs/dbraw/zinc/21/07/01/353210701.db2.gz RELKZPODHMGUMS-GFCCVEGCSA-N 1 0 309.366 1.935 20 5 DDBDRO O=C(Cc1ccccc1[N+](=O)[O-])N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000332018955 234394631 /nfs/dbraw/zinc/39/46/31/234394631.db2.gz HYJWIIMMGVFQRA-HIFRSBDPSA-N 1 0 303.362 1.880 20 5 DDBDRO CNc1ccc(C(=O)NC[C@@H](C2CC2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000076925542 353443179 /nfs/dbraw/zinc/44/31/79/353443179.db2.gz IPMINBSRCKCLKF-AWEZNQCLSA-N 1 0 306.366 1.707 20 5 DDBDRO C[NH+](C)CCN1CCCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000077455419 353470250 /nfs/dbraw/zinc/47/02/50/353470250.db2.gz DMSWBURDJFQUNC-UHFFFAOYSA-N 1 0 320.393 1.304 20 5 DDBDRO CCc1nn(C)c(N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000091742978 353835250 /nfs/dbraw/zinc/83/52/50/353835250.db2.gz ITWBEZSZLFXIID-DGCLKSJQSA-N 1 0 307.398 1.811 20 5 DDBDRO COCC[N@H+](C)CCNC(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000358629446 299209463 /nfs/dbraw/zinc/20/94/63/299209463.db2.gz CJCHQXBOFPWJGY-UHFFFAOYSA-N 1 0 324.381 1.281 20 5 DDBDRO [NH3+][C@@H]1CCC[C@H](NC(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000161965790 354244763 /nfs/dbraw/zinc/24/47/63/354244763.db2.gz IYFRURMWYSHJFO-NEPJUHHUSA-N 1 0 306.366 1.783 20 5 DDBDRO C[C@@H]([NH3+])[C@H]1CN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CCO1 ZINC000156424326 354219349 /nfs/dbraw/zinc/21/93/49/354219349.db2.gz FYXYLBDTLRPUHB-LDYMZIIASA-N 1 0 313.741 1.436 20 5 DDBDRO CCc1ccc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)s1 ZINC000231658190 354328188 /nfs/dbraw/zinc/32/81/88/354328188.db2.gz QGFWRZHNBIAUME-NSHDSACASA-N 1 0 310.379 1.566 20 5 DDBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000176959644 198642522 /nfs/dbraw/zinc/64/25/22/198642522.db2.gz XCSADBNYDSKRFP-LBPRGKRZSA-N 1 0 320.393 1.981 20 5 DDBDRO CCc1ccccc1C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000315559218 354494868 /nfs/dbraw/zinc/49/48/68/354494868.db2.gz COAULEMDSYUSGT-OAHLLOKOSA-N 1 0 304.350 1.504 20 5 DDBDRO Cc1cc(NCCN2CCCC2=O)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000405436803 354679580 /nfs/dbraw/zinc/67/95/80/354679580.db2.gz FYTQMTBXIFPAFW-UHFFFAOYSA-N 1 0 314.345 1.908 20 5 DDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C[C@@H]2CC23CC3)cc1 ZINC000584775543 354764427 /nfs/dbraw/zinc/76/44/27/354764427.db2.gz NBZDMQLTIZXCHJ-NSHDSACASA-N 1 0 310.375 1.758 20 5 DDBDRO Cc1cc(C(=O)N[C@H](CO)C[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000588867230 354944037 /nfs/dbraw/zinc/94/40/37/354944037.db2.gz MMEZFVUCEXVHIM-ZDUSSCGKSA-N 1 0 307.350 1.090 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](CO)C[NH+]1CCCC1 ZINC000588867066 354944205 /nfs/dbraw/zinc/94/42/05/354944205.db2.gz IFPMTKKDUBVSPO-LBPRGKRZSA-N 1 0 307.350 1.090 20 5 DDBDRO Cc1cc(C(=O)N[C@H](CO)C[NH+]2CCCC2)cc([N+](=O)[O-])c1 ZINC000588870157 354945287 /nfs/dbraw/zinc/94/52/87/354945287.db2.gz VEALBGQLXKBQMC-ZDUSSCGKSA-N 1 0 307.350 1.090 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](CO)C[NH+]1CCCC1 ZINC000588868906 354945412 /nfs/dbraw/zinc/94/54/12/354945412.db2.gz IDFQQFKRXPDUNM-LBPRGKRZSA-N 1 0 307.350 1.090 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@]1(C)CCO[C@H]1C ZINC000494252581 235012148 /nfs/dbraw/zinc/01/21/48/235012148.db2.gz ZBGIULMSGHNTNZ-XHDPSFHLSA-N 1 0 307.350 1.999 20 5 DDBDRO C[NH+](C)C[C@H](CO)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000589101999 354959230 /nfs/dbraw/zinc/95/92/30/354959230.db2.gz SFZPHJJBSLWJPN-SECBINFHSA-N 1 0 307.272 1.948 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H]1CCO[C@H]1C1CC1 ZINC000494470543 235039804 /nfs/dbraw/zinc/03/98/04/235039804.db2.gz FWWWWMUBQGVYTM-LRDDRELGSA-N 1 0 319.361 1.999 20 5 DDBDRO COc1cc(C[N@H+](C)C[C@@H](O)C2CC2)c([N+](=O)[O-])cc1OC ZINC000589198180 354972416 /nfs/dbraw/zinc/97/24/16/354972416.db2.gz PNVPPHVINKQKKL-CYBMUJFWSA-N 1 0 310.350 1.815 20 5 DDBDRO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](CCCN1CCOCC1)CC2 ZINC000332494018 235033024 /nfs/dbraw/zinc/03/30/24/235033024.db2.gz YNXDJSSQENOOBN-UHFFFAOYSA-N 1 0 306.366 1.070 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC000590010365 355039108 /nfs/dbraw/zinc/03/91/08/355039108.db2.gz CIDCVFWUCWCRRI-DOMZBBRYSA-N 1 0 318.377 1.478 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000590541654 355110632 /nfs/dbraw/zinc/11/06/32/355110632.db2.gz JMJKAUAKVJNUTA-ZDUSSCGKSA-N 1 0 318.377 1.023 20 5 DDBDRO C[C@H]1[C@H]([NH+](C)C)CCN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000590590223 355122206 /nfs/dbraw/zinc/12/22/06/355122206.db2.gz WHCUEBOGGLBGOD-WDEREUQCSA-N 1 0 313.379 1.308 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)c1[N+](=O)[O-] ZINC000590443488 355097203 /nfs/dbraw/zinc/09/72/03/355097203.db2.gz KMXMLCYFLYROCA-VHSXEESVSA-N 1 0 307.354 1.217 20 5 DDBDRO C[N@@H+]1C[C@H]2CCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3N)[C@@H]2C1 ZINC000590444455 355098862 /nfs/dbraw/zinc/09/88/62/355098862.db2.gz LZJTWHXXBUCMKJ-PRHODGIISA-N 1 0 308.313 1.092 20 5 DDBDRO CN1C[C@H]2CC[N@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000591037765 355236540 /nfs/dbraw/zinc/23/65/40/355236540.db2.gz ZMZDFWANZDYMPK-IUODEOHRSA-N 1 0 318.377 1.559 20 5 DDBDRO C[N@@H+]1CCC[C@H](N2CCN(c3ncc([N+](=O)[O-])cc3F)CC2)C1 ZINC000591147176 355254947 /nfs/dbraw/zinc/25/49/47/355254947.db2.gz BRTZVXQXCRBBSK-LBPRGKRZSA-N 1 0 323.372 1.345 20 5 DDBDRO O=[N+]([O-])c1cnc(NC2CC[NH+]([C@@H]3CCOC3)CC2)c(F)c1 ZINC000591150651 355255889 /nfs/dbraw/zinc/25/58/89/355255889.db2.gz APKWNOMVFCXPLH-LLVKDONJSA-N 1 0 310.329 1.794 20 5 DDBDRO CC[C@H]1CN(C(=O)NCc2cccc([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000591348360 355294438 /nfs/dbraw/zinc/29/44/38/355294438.db2.gz XEVZUZHPGGONPB-GXTWGEPZSA-N 1 0 306.366 1.864 20 5 DDBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCC[NH2+]CC1 ZINC000591351661 355295854 /nfs/dbraw/zinc/29/58/54/355295854.db2.gz JNYRCEPUYIYTGY-GFCCVEGCSA-N 1 0 322.365 1.415 20 5 DDBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)NC[C@@H]1CCCC[NH2+]1 ZINC000591355990 355297748 /nfs/dbraw/zinc/29/77/48/355297748.db2.gz XDDXPFBIPTVEIN-ZDUSSCGKSA-N 1 0 306.366 1.579 20 5 DDBDRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000591446024 355313037 /nfs/dbraw/zinc/31/30/37/355313037.db2.gz LBAGBGAYPYJQMN-HIFRSBDPSA-N 1 0 306.366 1.713 20 5 DDBDRO C[C@@H]1C[NH2+]CC[C@H]1NCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000591279358 355276995 /nfs/dbraw/zinc/27/69/95/355276995.db2.gz MUIZNVXEDLUKHB-ZYHUDNBSSA-N 1 0 307.350 1.454 20 5 DDBDRO C[C@H]([NH3+])CNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000591306411 355285855 /nfs/dbraw/zinc/28/58/55/355285855.db2.gz SBVCPGWPQMKOAW-LURJTMIESA-N 1 0 317.143 1.826 20 5 DDBDRO C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CS1 ZINC000591771012 355381657 /nfs/dbraw/zinc/38/16/57/355381657.db2.gz JPTFAXFPRJJYON-NQBHXWOUSA-N 1 0 312.391 1.818 20 5 DDBDRO COC(=O)c1cc(NC(=O)[C@@H]2[NH2+]CC2(C)C)cc([N+](=O)[O-])c1 ZINC000591671865 355358607 /nfs/dbraw/zinc/35/86/07/355358607.db2.gz MUEKLOBMBDLRQS-NSHDSACASA-N 1 0 307.306 1.318 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000591685763 355361796 /nfs/dbraw/zinc/36/17/96/355361796.db2.gz KEHDJTGEFQJMHC-CYBMUJFWSA-N 1 0 319.361 1.865 20 5 DDBDRO CC[C@@H]1CN(C(=O)CCn2cc([N+](=O)[O-])nc2C)CC[C@@H]1[NH3+] ZINC000592332186 355561085 /nfs/dbraw/zinc/56/10/85/355561085.db2.gz FNQAYWROTDVBCH-NEPJUHHUSA-N 1 0 309.370 1.076 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH2+][C@@H](C(C)C)C2)c1 ZINC000592241827 355546345 /nfs/dbraw/zinc/54/63/45/355546345.db2.gz JXXCZOKYCOZHSI-CYBMUJFWSA-N 1 0 307.350 1.673 20 5 DDBDRO CNc1ccc(C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)cc1[N+](=O)[O-] ZINC000592247077 355547141 /nfs/dbraw/zinc/54/71/41/355547141.db2.gz OURCBNYECPIEKR-GXFFZTMASA-N 1 0 304.350 1.461 20 5 DDBDRO CC(C)[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)C1(CO)CC=CC1 ZINC000592177285 355525810 /nfs/dbraw/zinc/52/58/10/355525810.db2.gz QVLSQVHOWKVEBS-AWEZNQCLSA-N 1 0 308.382 1.734 20 5 DDBDRO O=C(CC[NH2+]C[C@H]1CC[C@H](O)C1)Nc1ccccc1[N+](=O)[O-] ZINC000592431331 355581967 /nfs/dbraw/zinc/58/19/67/355581967.db2.gz FONLQKUPBFJXGD-RYUDHWBXSA-N 1 0 307.350 1.674 20 5 DDBDRO [NH3+]C1CCC(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000592468449 355592240 /nfs/dbraw/zinc/59/22/40/355592240.db2.gz GWTLTAMLAXUSKZ-UHFFFAOYSA-N 1 0 307.306 1.323 20 5 DDBDRO Cc1nn(CCc2nc([C@@H]3CCC[NH2+]3)no2)c(C)c1[N+](=O)[O-] ZINC000592356997 355565514 /nfs/dbraw/zinc/56/55/14/355565514.db2.gz PKORQYDBFATWGV-JTQLQIEISA-N 1 0 306.326 1.458 20 5 DDBDRO CC[C@@H]1CN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC[C@H]1[NH3+] ZINC000592545820 355623411 /nfs/dbraw/zinc/62/34/11/355623411.db2.gz XUVXVRKKZKUZEJ-ZYHUDNBSSA-N 1 0 309.370 1.112 20 5 DDBDRO O=C(COc1cccc([N+](=O)[O-])c1)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000592570820 355633376 /nfs/dbraw/zinc/63/33/76/355633376.db2.gz SCSLQMXPQOYYOC-CQSZACIVSA-N 1 0 319.361 1.765 20 5 DDBDRO COC[C@@H]([NH2+]Cc1cc(C(=O)OC)ccc1[N+](=O)[O-])C1CC1 ZINC000593021467 355772293 /nfs/dbraw/zinc/77/22/93/355772293.db2.gz PJCRMGIKFRELNV-CYBMUJFWSA-N 1 0 308.334 1.896 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@@H](C)[C@@H]2CO)c1 ZINC000593024743 355772375 /nfs/dbraw/zinc/77/23/75/355772375.db2.gz LOCXTLDBABTFBF-YGRLFVJLSA-N 1 0 308.334 1.584 20 5 DDBDRO CCO[C@@H]1CN(C(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@H]1C[NH3+] ZINC000593757562 355988110 /nfs/dbraw/zinc/98/81/10/355988110.db2.gz FZIUCEXSKLIKTN-BXUZGUMPSA-N 1 0 322.365 1.731 20 5 DDBDRO Cc1ccc([C@@H](C)NC(=O)[C@H](N)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000593905954 356051585 /nfs/dbraw/zinc/05/15/85/356051585.db2.gz PWCRJGQUKXMULP-DGCLKSJQSA-N 1 0 308.382 1.359 20 5 DDBDRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])o3)C2)C1 ZINC000593913837 356057375 /nfs/dbraw/zinc/05/73/75/356057375.db2.gz WGCVKUONORMFFN-NQBHXWOUSA-N 1 0 323.349 1.546 20 5 DDBDRO C[C@H]1CCCN(C(=O)COc2cccc([N+](=O)[O-])c2)[C@H]1CC[NH3+] ZINC000593917897 356059981 /nfs/dbraw/zinc/05/99/81/356059981.db2.gz ZQCIDJLHBQZFNW-WFASDCNBSA-N 1 0 321.377 1.950 20 5 DDBDRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000593918606 356060836 /nfs/dbraw/zinc/06/08/36/356060836.db2.gz GRMJVMVEYJOUKS-NQBHXWOUSA-N 1 0 323.349 1.689 20 5 DDBDRO CC(C)(C(=O)N[C@@H](C[NH3+])C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000594450576 356220477 /nfs/dbraw/zinc/22/04/77/356220477.db2.gz FWAOYRQFHYNDGD-JTQLQIEISA-N 1 0 319.283 1.878 20 5 DDBDRO C[C@@H]1CC[N@H+](CC(=O)N(C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000594357516 356182012 /nfs/dbraw/zinc/18/20/12/356182012.db2.gz OSMOWHWMNQZRJQ-CYBMUJFWSA-N 1 0 305.378 1.938 20 5 DDBDRO CC(C)Oc1nc(N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000594604527 356262441 /nfs/dbraw/zinc/26/24/41/356262441.db2.gz XHYHPDJBCLKTQL-NWDGAFQWSA-N 1 0 322.365 1.032 20 5 DDBDRO O=[N+]([O-])c1cc(O)ccc1-n1cc(C[NH2+]C2CCCC2)nn1 ZINC000594653643 356276229 /nfs/dbraw/zinc/27/62/29/356276229.db2.gz WWKFRHFKWSZHTE-UHFFFAOYSA-N 1 0 303.322 1.913 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CCc2ccoc2)c1 ZINC000594733270 356301065 /nfs/dbraw/zinc/30/10/65/356301065.db2.gz TVGSZLFUAYDNHC-AWEZNQCLSA-N 1 0 306.318 1.760 20 5 DDBDRO COc1cc(C[NH2+][C@H]2C[C@@H](O)C23CCC3)c([N+](=O)[O-])cc1O ZINC000594985857 356368457 /nfs/dbraw/zinc/36/84/57/356368457.db2.gz AYIMBLUQARFXTN-UONOGXRCSA-N 1 0 308.334 1.702 20 5 DDBDRO COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000594919351 356354240 /nfs/dbraw/zinc/35/42/40/356354240.db2.gz YIAJGQDGBQSXRD-ADEWGFFLSA-N 1 0 308.334 1.891 20 5 DDBDRO O=[N+]([O-])c1cc(C[NH2+][C@H](CO)C2CCC2)c2c(c1)COCO2 ZINC000594957818 356364070 /nfs/dbraw/zinc/36/40/70/356364070.db2.gz VAWULAYWJQDLJY-CQSZACIVSA-N 1 0 308.334 1.712 20 5 DDBDRO COCCN1CC[C@@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000595019556 356372768 /nfs/dbraw/zinc/37/27/68/356372768.db2.gz QXZWBVXBCNAQGA-QWHCGFSZSA-N 1 0 323.393 1.975 20 5 DDBDRO O=C1NCC[C@@H]1[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000595054272 356376792 /nfs/dbraw/zinc/37/67/92/356376792.db2.gz OTRYKCALMVFXKM-YUTCNCBUSA-N 1 0 303.362 1.784 20 5 DDBDRO C[C@H]([NH2+]C[C@]1(OCCO)CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000595077936 356378749 /nfs/dbraw/zinc/37/87/49/356378749.db2.gz LKENRRMDUNWJEV-SWLSCSKDSA-N 1 0 310.350 1.413 20 5 DDBDRO C[NH2+]C[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000595119382 356385268 /nfs/dbraw/zinc/38/52/68/356385268.db2.gz SJIZPJVDLUTDQG-JTQLQIEISA-N 1 0 301.368 1.098 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000595223827 356411226 /nfs/dbraw/zinc/41/12/26/356411226.db2.gz BMFLHRHDRSCLIW-RYUDHWBXSA-N 1 0 321.381 1.323 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C1(CCO)CCCC1 ZINC000595508980 356524381 /nfs/dbraw/zinc/52/43/81/356524381.db2.gz MTNNHUCIGFKWNA-CYBMUJFWSA-N 1 0 324.377 1.619 20 5 DDBDRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595551446 356546352 /nfs/dbraw/zinc/54/63/52/356546352.db2.gz LZMGPXFKDXOHES-NWDGAFQWSA-N 1 0 311.357 1.621 20 5 DDBDRO CNC(=O)[C@H](C)C[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000081556695 192292099 /nfs/dbraw/zinc/29/20/99/192292099.db2.gz SXDVPVAYEIDZFY-MNOVXSKESA-N 1 0 322.365 1.236 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](CO)C1CCC1 ZINC000595613691 356578214 /nfs/dbraw/zinc/57/82/14/356578214.db2.gz AFGBORGCIVNHDH-CYBMUJFWSA-N 1 0 323.349 1.293 20 5 DDBDRO O=C1CC[C@@H]2C[N@H+](CCOc3ccc([N+](=O)[O-])cc3)CC[C@H]2N1 ZINC000595745623 356633476 /nfs/dbraw/zinc/63/34/76/356633476.db2.gz YSSWJUZDQKGQDK-IUODEOHRSA-N 1 0 319.361 1.574 20 5 DDBDRO C[C@H](O)[C@H]1CCC[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000595769522 356645120 /nfs/dbraw/zinc/64/51/20/356645120.db2.gz JJRAVAQVHYVWTM-IINYFYTJSA-N 1 0 308.334 1.807 20 5 DDBDRO O=C(CC[NH2+][C@H]1C[C@@H](O)C12CCC2)Nc1ccccc1[N+](=O)[O-] ZINC000595782193 356650991 /nfs/dbraw/zinc/65/09/91/356650991.db2.gz OFFMEACQSHVLOD-UONOGXRCSA-N 1 0 319.361 1.817 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCOC(C3CC3)(C3CC3)C2)c1 ZINC000595821787 356663594 /nfs/dbraw/zinc/66/35/94/356663594.db2.gz GCCCJJGFSNILQH-UHFFFAOYSA-N 1 0 306.366 1.682 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@H]3COC[C@@H]3C2)c1 ZINC000595826784 356666166 /nfs/dbraw/zinc/66/61/66/356666166.db2.gz IOEKLKUNKQGBAJ-JSGCOSHPSA-N 1 0 320.345 1.850 20 5 DDBDRO O=[N+]([O-])c1cccc(CN2CCC([N@@H+]3CC[C@H](O)C3)CC2)c1 ZINC000595864530 356682905 /nfs/dbraw/zinc/68/29/05/356682905.db2.gz BQCZIXPAKAMREY-INIZCTEOSA-N 1 0 305.378 1.626 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595962966 356726071 /nfs/dbraw/zinc/72/60/71/356726071.db2.gz WPIKHTPYAYUBDO-CYBMUJFWSA-N 1 0 320.393 1.785 20 5 DDBDRO CC(C)OCC[NH+]1CCC(Nc2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596148882 356791440 /nfs/dbraw/zinc/79/14/40/356791440.db2.gz NZNLFCOYRKFAJI-UHFFFAOYSA-N 1 0 324.381 1.997 20 5 DDBDRO COc1ccc(CNC(=O)NCC[C@H](C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000596179822 356803693 /nfs/dbraw/zinc/80/36/93/356803693.db2.gz UENDZDJAVANGCI-NSHDSACASA-N 1 0 324.381 1.743 20 5 DDBDRO CS[C@@H]1CN(c2ccc(N)c([N+](=O)[O-])n2)C[C@H]1[NH+]1CCCC1 ZINC000596194929 356809763 /nfs/dbraw/zinc/80/97/63/356809763.db2.gz IHJJXTPRKLLWGV-VXGBXAGGSA-N 1 0 323.422 1.588 20 5 DDBDRO C[N@@H+]1CC[C@]2(CCN(c3ccc([N+](=O)[O-])c(C(N)=O)c3)C2)C1 ZINC000596242810 356829694 /nfs/dbraw/zinc/82/96/94/356829694.db2.gz ZKLKYILTWWOEJI-HNNXBMFYSA-N 1 0 304.350 1.226 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N[C@H](CO)C[NH+](C)C ZINC000596245018 356830543 /nfs/dbraw/zinc/83/05/43/356830543.db2.gz VBGLBKYYIRHBTF-JTQLQIEISA-N 1 0 311.338 1.024 20 5 DDBDRO O=[N+]([O-])c1cncc(Cl)c1NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000596267057 356838909 /nfs/dbraw/zinc/83/89/09/356838909.db2.gz VPRQCQFBWGCGJA-AOOOYVTPSA-N 1 0 312.757 1.340 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@](O)(C[NH+](C)C)C2)c1 ZINC000597575216 357234243 /nfs/dbraw/zinc/23/42/43/357234243.db2.gz VDTJCCWLTCJSAM-INIZCTEOSA-N 1 0 321.377 1.432 20 5 DDBDRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000597856817 357360259 /nfs/dbraw/zinc/36/02/59/357360259.db2.gz AQPXHTWZPZPRBO-NSHDSACASA-N 1 0 309.370 1.170 20 5 DDBDRO CCN(C(=O)Cc1cccc([N+](=O)[O-])c1C)[C@H]1CC[N@H+](C)C1 ZINC000597947572 357396316 /nfs/dbraw/zinc/39/63/16/357396316.db2.gz ZBUFXGKJFLTBDE-AWEZNQCLSA-N 1 0 305.378 1.998 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)n1 ZINC000598262863 357513001 /nfs/dbraw/zinc/51/30/01/357513001.db2.gz MYEYCSWOBDYSEZ-LBPRGKRZSA-N 1 0 323.397 1.661 20 5 DDBDRO CNc1ccc(C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)cc1[N+](=O)[O-] ZINC000598669029 357678335 /nfs/dbraw/zinc/67/83/35/357678335.db2.gz GOSCEAMISQBDAO-NHYWBVRUSA-N 1 0 304.350 1.590 20 5 DDBDRO COC(=O)c1ccnc(N2CC[N@H+](C)[C@@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000598622117 357658147 /nfs/dbraw/zinc/65/81/47/357658147.db2.gz ZMUDIPLUJBQFMB-GFCCVEGCSA-N 1 0 322.365 1.553 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)c1 ZINC000598670170 357679081 /nfs/dbraw/zinc/67/90/81/357679081.db2.gz RIUXWQLWZPXMBI-BONVTDFDSA-N 1 0 305.334 1.557 20 5 DDBDRO [NH3+]C[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000598916420 357757554 /nfs/dbraw/zinc/75/75/54/357757554.db2.gz YNQIXERCNVYLQB-VIFPVBQESA-N 1 0 314.729 1.440 20 5 DDBDRO COC(=O)COc1ccc(C[NH2+]C[C@H]2C[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000599006164 357791472 /nfs/dbraw/zinc/79/14/72/357791472.db2.gz FLOSXRVYHPVRRP-TXEJJXNPSA-N 1 0 324.333 1.007 20 5 DDBDRO CC[C@@H]1[NH2+]CC[C@H]1NS(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000599100238 357816099 /nfs/dbraw/zinc/81/60/99/357816099.db2.gz HRENXHOQWYKWPK-WDEREUQCSA-N 1 0 313.379 1.322 20 5 DDBDRO C[C@@H]1CC[C@H](NS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C[NH2+]1 ZINC000599106525 357817723 /nfs/dbraw/zinc/81/77/23/357817723.db2.gz UHONDGPOTSTKPK-PWSUYJOCSA-N 1 0 313.379 1.155 20 5 DDBDRO Cc1cc(N2CC(C[NH+]3CCN(C)CC3)C2)c([N+](=O)[O-])s1 ZINC000599109915 357818394 /nfs/dbraw/zinc/81/83/94/357818394.db2.gz XMWFHKMZPXILGG-UHFFFAOYSA-N 1 0 310.423 1.648 20 5 DDBDRO Cc1cc(NC(=O)NC2(C[NH3+])CCOCC2)ccc1[N+](=O)[O-] ZINC000599613003 357992832 /nfs/dbraw/zinc/99/28/32/357992832.db2.gz OIJLXQHWTZUOKS-UHFFFAOYSA-N 1 0 308.338 1.533 20 5 DDBDRO COc1cc(C[N@H+](C)[C@H]2C[C@@H](C(N)=O)C2)c([N+](=O)[O-])cc1F ZINC000599651349 358008458 /nfs/dbraw/zinc/00/84/58/358008458.db2.gz GIBFDOLTMLIIAC-WAAGHKOSSA-N 1 0 311.313 1.438 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CC[C@@H]3CC[C@@H](O)[C@@H]32)c1 ZINC000599680546 358022452 /nfs/dbraw/zinc/02/24/52/358022452.db2.gz GBCFAVZVJLQRTJ-DDUYRFODSA-N 1 0 322.361 1.180 20 5 DDBDRO COc1ccc([C@@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)C2CC2)cn1 ZINC000599699893 358031668 /nfs/dbraw/zinc/03/16/68/358031668.db2.gz NTJZSINXNHSSJH-HNNXBMFYSA-N 1 0 317.349 1.936 20 5 DDBDRO Cc1c(CNC(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)cccc1[N+](=O)[O-] ZINC000599918279 358080113 /nfs/dbraw/zinc/08/01/13/358080113.db2.gz NKCVPCNWAWSOBP-ZWNOBZJWSA-N 1 0 306.366 1.843 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000600470053 358233049 /nfs/dbraw/zinc/23/30/49/358233049.db2.gz DYRXFMAJAUKHBL-NSHDSACASA-N 1 0 307.354 1.075 20 5 DDBDRO Cn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)n1 ZINC000600474011 358234830 /nfs/dbraw/zinc/23/48/30/358234830.db2.gz WCKNKPKIEPYOEG-LLVKDONJSA-N 1 0 307.354 1.075 20 5 DDBDRO C[N@@H+]1CC[C@@H](CNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000180838256 199216622 /nfs/dbraw/zinc/21/66/22/199216622.db2.gz XRPMOQFJBMVXQJ-VIFPVBQESA-N 1 0 307.306 1.005 20 5 DDBDRO CN(c1c([N+](=O)[O-])c(C(F)(F)F)nn1C)[C@@H]1CCC[N@H+](C)C1 ZINC000601119849 358410376 /nfs/dbraw/zinc/41/03/76/358410376.db2.gz XQYMOFLRNWMYCT-MRVPVSSYSA-N 1 0 321.303 1.878 20 5 DDBDRO C[C@@H]1CN(c2ncc(F)cc2[N+](=O)[O-])CC[N@@H+]1CC(C)(C)O ZINC000601151288 358423256 /nfs/dbraw/zinc/42/32/56/358423256.db2.gz VJMKLFZJPNBAKO-SNVBAGLBSA-N 1 0 312.345 1.410 20 5 DDBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601169002 358431007 /nfs/dbraw/zinc/43/10/07/358431007.db2.gz IGUPSYAVHGKOOB-YUMQZZPRSA-N 1 0 321.303 1.876 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(c3ncnc4ccc([N+](=O)[O-])cc43)C[C@@H]2C1 ZINC000601183698 358437746 /nfs/dbraw/zinc/43/77/46/358437746.db2.gz CNTFDKHEURFBIN-NEPJUHHUSA-N 1 0 313.361 1.926 20 5 DDBDRO Cc1cc(S(=O)(=O)NC[C@@H]2CC[N@@H+](C)C2)c([N+](=O)[O-])s1 ZINC000601434229 358551676 /nfs/dbraw/zinc/55/16/76/358551676.db2.gz NOIKOOXFYAHVGA-VIFPVBQESA-N 1 0 319.408 1.195 20 5 DDBDRO C[C@@H]1C[C@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@H](C)O1 ZINC000601968907 358758631 /nfs/dbraw/zinc/75/86/31/358758631.db2.gz OKFZSHGZEOCGJN-OICBVUGWSA-N 1 0 310.350 1.490 20 5 DDBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000601975359 358761930 /nfs/dbraw/zinc/76/19/30/358761930.db2.gz NUMLSLZCRIQRAI-WBMJQRKESA-N 1 0 318.377 1.655 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H]1CCC[C@@H]1CCO ZINC000348155288 283393646 /nfs/dbraw/zinc/39/36/46/283393646.db2.gz BYFQUVZCXWMXOM-OCCSQVGLSA-N 1 0 321.377 1.982 20 5 DDBDRO C[C@@H](C[NH+]1CCCCCC1)NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000185421727 199851486 /nfs/dbraw/zinc/85/14/86/199851486.db2.gz BLKCTKWMPKGEKE-NSHDSACASA-N 1 0 321.381 1.566 20 5 DDBDRO C[NH+](C)CC1(C(=O)N[C@@](C)(CO)c2cccc([N+](=O)[O-])c2)CC1 ZINC000602195437 358876329 /nfs/dbraw/zinc/87/63/29/358876329.db2.gz LMCFLWXVGYHHBV-HNNXBMFYSA-N 1 0 321.377 1.260 20 5 DDBDRO CN(CCOc1ccccc1F)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602437648 358975572 /nfs/dbraw/zinc/97/55/72/358975572.db2.gz WPKHMBPMOGJLAT-UHFFFAOYSA-N 1 0 308.313 1.978 20 5 DDBDRO CO[C@H](C[NH2+]CCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCOC1 ZINC000602538528 359034189 /nfs/dbraw/zinc/03/41/89/359034189.db2.gz FVFRKDWFWMLXLR-SWLSCSKDSA-N 1 0 310.350 1.615 20 5 DDBDRO CC[NH2+][C@H](C)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000602457265 358990490 /nfs/dbraw/zinc/99/04/90/358990490.db2.gz DCAFFIFVDZJVHN-GFCCVEGCSA-N 1 0 321.377 1.963 20 5 DDBDRO CO[C@]1(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CCOC1 ZINC000602472602 359001450 /nfs/dbraw/zinc/00/14/50/359001450.db2.gz JBTCOSOISMCYIR-DOMZBBRYSA-N 1 0 322.365 1.282 20 5 DDBDRO O=C(NCC[NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000602506220 359018018 /nfs/dbraw/zinc/01/80/18/359018018.db2.gz JGJQETGRSAVKER-UHFFFAOYSA-N 1 0 303.318 1.750 20 5 DDBDRO Cn1cc(C[N@@H+]2CCC[C@H](C[C@H]3CCOC3)C2)c([N+](=O)[O-])n1 ZINC000602669469 359115146 /nfs/dbraw/zinc/11/51/46/359115146.db2.gz XOAODBILAHYYAQ-CHWSQXEVSA-N 1 0 308.382 1.967 20 5 DDBDRO CC[C@@H](CCO)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602574764 359051478 /nfs/dbraw/zinc/05/14/78/359051478.db2.gz ZKXAMVZVFDLPCP-ZDUSSCGKSA-N 1 0 322.409 1.957 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC(C)(C)[C@H]1[C@@H]1CCCO1 ZINC000602835137 359226794 /nfs/dbraw/zinc/22/67/94/359226794.db2.gz XVKOMGXTCAAMNZ-GXTWGEPZSA-N 1 0 308.382 1.989 20 5 DDBDRO Cc1cc([N+](=O)[O-])cn(C[C@H](C[NH3+])c2ccc(F)cc2)c1=O ZINC000565652825 304082453 /nfs/dbraw/zinc/08/24/53/304082453.db2.gz ATXFKQWZAPLGDJ-LBPRGKRZSA-N 1 0 305.309 1.947 20 5 DDBDRO CC[C@H](C)[NH+]1CCN(C(=O)Nc2c(C)cncc2[N+](=O)[O-])CC1 ZINC000602960514 359323560 /nfs/dbraw/zinc/32/35/60/359323560.db2.gz LAWQPTPIWLHAHJ-LBPRGKRZSA-N 1 0 321.381 1.668 20 5 DDBDRO O=[N+]([O-])c1cc(Cn2cc(C[C@H]3CCC[NH2+]C3)nn2)cs1 ZINC000603205645 359479917 /nfs/dbraw/zinc/47/99/17/359479917.db2.gz GBCSUYFWZOCYCN-SNVBAGLBSA-N 1 0 307.379 1.838 20 5 DDBDRO CN(CC[N@H+](C)C1CC1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000186778602 200009348 /nfs/dbraw/zinc/00/93/48/200009348.db2.gz WIGVZTKVJHAXBD-UHFFFAOYSA-N 1 0 321.377 1.987 20 5 DDBDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000187041817 200051326 /nfs/dbraw/zinc/05/13/26/200051326.db2.gz OYZNXPGTUOUNDN-NSHDSACASA-N 1 0 322.365 1.546 20 5 DDBDRO C[C@H]1CCC[N@H+](CCNC(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000187273286 200087108 /nfs/dbraw/zinc/08/71/08/200087108.db2.gz QOMOFGOVFPBIEH-NSHDSACASA-N 1 0 306.366 1.639 20 5 DDBDRO C[C@H]1CN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000237580154 202291591 /nfs/dbraw/zinc/29/15/91/202291591.db2.gz SNYMMXNRPAXUIC-LBPRGKRZSA-N 1 0 306.366 1.607 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000604265801 359730528 /nfs/dbraw/zinc/73/05/28/359730528.db2.gz RUBPOFULYGKDLZ-LBPRGKRZSA-N 1 0 306.366 1.634 20 5 DDBDRO C[C@@H]1CN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC[NH2+]1 ZINC000188404462 200241065 /nfs/dbraw/zinc/24/10/65/200241065.db2.gz FOLPSEDMDOWSMH-LLVKDONJSA-N 1 0 315.333 1.214 20 5 DDBDRO Cn1cc(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)nn1 ZINC000618575439 363678793 /nfs/dbraw/zinc/67/87/93/363678793.db2.gz GTNCIULVLGWXRA-VXGBXAGGSA-N 1 0 305.342 1.193 20 5 DDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)NCCC[NH+]1CCCCC1 ZINC000188638969 200279761 /nfs/dbraw/zinc/27/97/61/200279761.db2.gz USLSWRNIAOASFG-UHFFFAOYSA-N 1 0 306.366 1.783 20 5 DDBDRO [NH3+]C1CCN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000237852807 202370825 /nfs/dbraw/zinc/37/08/25/202370825.db2.gz GWHPTWTXCDTDKY-UHFFFAOYSA-N 1 0 315.333 1.344 20 5 DDBDRO [NH3+]C[C@H](NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)C1CC1 ZINC000237920172 202391646 /nfs/dbraw/zinc/39/16/46/202391646.db2.gz VQJILKVZOLRKDE-ZDUSSCGKSA-N 1 0 304.350 1.636 20 5 DDBDRO O=C(Cn1ccc([N+](=O)[O-])n1)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000608900490 360251793 /nfs/dbraw/zinc/25/17/93/360251793.db2.gz NBBUKBQTHKVHRA-UHFFFAOYSA-N 1 0 313.277 1.011 20 5 DDBDRO COCC[N@@H+]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])cnc2C)C1 ZINC000609268853 360286108 /nfs/dbraw/zinc/28/61/08/360286108.db2.gz GPOWWALPDFSGAM-LBPRGKRZSA-N 1 0 322.365 1.139 20 5 DDBDRO C[N@@H+]1CCC[C@H](N2CCN(Cc3csc([N+](=O)[O-])c3)CC2)C1 ZINC000609672351 360342632 /nfs/dbraw/zinc/34/26/32/360342632.db2.gz BFBVSPAOFBYEFH-AWEZNQCLSA-N 1 0 324.450 1.868 20 5 DDBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]CCCn1cncn1)OCCO2 ZINC000609440294 360307899 /nfs/dbraw/zinc/30/78/99/360307899.db2.gz CCLGMSQVJBOTFO-UHFFFAOYSA-N 1 0 319.321 1.137 20 5 DDBDRO CCc1n[nH]c(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)c1[N+](=O)[O-] ZINC000609479006 360311062 /nfs/dbraw/zinc/31/10/62/360311062.db2.gz HJXOLPJPVPIJDT-JTQLQIEISA-N 1 0 307.354 1.094 20 5 DDBDRO CCCc1n[nH]c(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000609476806 360311188 /nfs/dbraw/zinc/31/11/88/360311188.db2.gz VPQJTNKWJOMZQG-VIFPVBQESA-N 1 0 307.354 1.237 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c1 ZINC000610276252 360406074 /nfs/dbraw/zinc/40/60/74/360406074.db2.gz FZMSZUCHGMHVFV-GOEBONIOSA-N 1 0 321.377 1.639 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c1 ZINC000610276253 360406356 /nfs/dbraw/zinc/40/63/56/360406356.db2.gz FZMSZUCHGMHVFV-HOCLYGCPSA-N 1 0 321.377 1.639 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+](C2CC2)C2CCCCC2)c1 ZINC000610367653 360423239 /nfs/dbraw/zinc/42/32/39/360423239.db2.gz PRLKUQMPLYNZDW-HNNXBMFYSA-N 1 0 308.382 1.949 20 5 DDBDRO C[C@@](CO)([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccccc1 ZINC000611185110 360652744 /nfs/dbraw/zinc/65/27/44/360652744.db2.gz DDXBKQCCIQGIPE-INIZCTEOSA-N 1 0 317.345 1.254 20 5 DDBDRO CC[N@@H+]1CCN([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000611092301 360621723 /nfs/dbraw/zinc/62/17/23/360621723.db2.gz ODQPXSBFMFBKHQ-STQMWFEESA-N 1 0 320.393 1.948 20 5 DDBDRO CCC[C@@H]([NH2+]CCc1nnnn1C)c1cccc([N+](=O)[O-])c1 ZINC000611327640 360699439 /nfs/dbraw/zinc/69/94/39/360699439.db2.gz NRVGMRHXMSXILL-CYBMUJFWSA-N 1 0 304.354 1.792 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1CN1CC[C@@H](CS(C)(=O)=O)C1 ZINC000292722156 223217487 /nfs/dbraw/zinc/21/74/87/223217487.db2.gz FLBCNCXHAWIYLY-GFCCVEGCSA-N 1 0 312.391 1.770 20 5 DDBDRO C[NH2+]CCCNS(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000193236572 201010746 /nfs/dbraw/zinc/01/07/46/201010746.db2.gz XXVKXEKSYLWWBA-UHFFFAOYSA-N 1 0 301.368 1.099 20 5 DDBDRO Nc1c(C(=O)N2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000423955992 283649581 /nfs/dbraw/zinc/64/95/81/283649581.db2.gz AAZFLAAMYSQRKW-YPMHNXCESA-N 1 0 318.377 1.781 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000193402755 201045632 /nfs/dbraw/zinc/04/56/32/201045632.db2.gz ZWLDBYANHAIXGZ-CABZTGNLSA-N 1 0 313.379 1.180 20 5 DDBDRO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H]1CNc2ccnn2C1 ZINC000619265364 363953683 /nfs/dbraw/zinc/95/36/83/363953683.db2.gz QBTOUDLFZQLZEA-LBPRGKRZSA-N 1 0 301.350 1.965 20 5 DDBDRO C[C@H](CCCC[NH3+])NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000566214637 304130706 /nfs/dbraw/zinc/13/07/06/304130706.db2.gz VYEIXUXOVIDKQE-SNVBAGLBSA-N 1 0 323.349 1.613 20 5 DDBDRO Cc1cc(S(=O)(=O)NC[C@@H]2CCC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000271763063 209191679 /nfs/dbraw/zinc/19/16/79/209191679.db2.gz PFPYHVIJNFOAMJ-NSHDSACASA-N 1 0 313.379 1.276 20 5 DDBDRO O=C(Cc1ccccc1[N+](=O)[O-])N1CCC2(CC[NH2+]C2)CC1 ZINC000261689334 203094964 /nfs/dbraw/zinc/09/49/64/203094964.db2.gz DUTPWKFCYJIJST-UHFFFAOYSA-N 1 0 303.362 1.739 20 5 DDBDRO C[C@H](NC(=O)[C@@H]([NH3+])C1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000261899311 203147856 /nfs/dbraw/zinc/14/78/56/203147856.db2.gz WJRBMFGKOJNNGF-HZMBPMFUSA-N 1 0 307.350 1.526 20 5 DDBDRO Cc1cccc(C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)c1[N+](=O)[O-] ZINC000261972446 203165209 /nfs/dbraw/zinc/16/52/09/203165209.db2.gz ZDCDNLVXOUBAJV-ZDUSSCGKSA-N 1 0 318.377 1.023 20 5 DDBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)CC[NH3+])cc1SC ZINC000349972503 284123706 /nfs/dbraw/zinc/12/37/06/284123706.db2.gz ZRVHLXYQMYWPSC-QMMMGPOBSA-N 1 0 313.379 1.792 20 5 DDBDRO [NH3+]C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C[C@H]1c1ccccc1 ZINC000262235439 203237198 /nfs/dbraw/zinc/23/71/98/203237198.db2.gz OJCXRAQWOLHROD-OLZOCXBDSA-N 1 0 314.345 1.737 20 5 DDBDRO O=C(COc1cccc([N+](=O)[O-])c1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262599663 203346557 /nfs/dbraw/zinc/34/65/57/203346557.db2.gz NWEGJTOMXZNPGB-NEPJUHHUSA-N 1 0 305.334 1.327 20 5 DDBDRO Cc1c(C(=O)N[C@@H](C)CC[NH+](C)C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000264917053 204265929 /nfs/dbraw/zinc/26/59/29/204265929.db2.gz OWCMFDUWAYKRBD-VIFPVBQESA-N 1 0 324.337 1.881 20 5 DDBDRO CC[N@@H+]1CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000288205025 220017067 /nfs/dbraw/zinc/01/70/67/220017067.db2.gz CAXGOXISPFUSLE-CYBMUJFWSA-N 1 0 321.377 1.916 20 5 DDBDRO CCOC(=O)[C@H](C)[C@H](C)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000274889852 212012529 /nfs/dbraw/zinc/01/25/29/212012529.db2.gz JEEWLVYOPVNILK-SUNKGSAMSA-N 1 0 310.350 1.806 20 5 DDBDRO Cc1ccc(S(=O)(=O)N[C@H](C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000265968192 205005885 /nfs/dbraw/zinc/00/58/85/205005885.db2.gz AFFABXONRLPBLN-LLVKDONJSA-N 1 0 315.395 1.522 20 5 DDBDRO Cc1cc(N2CC[NH+](C[C@H]3CCOC3)CC2)ncc1[N+](=O)[O-] ZINC000267399833 206038035 /nfs/dbraw/zinc/03/80/35/206038035.db2.gz PFDVZCVVPJWSKW-CYBMUJFWSA-N 1 0 306.366 1.457 20 5 DDBDRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000270748578 248671176 /nfs/dbraw/zinc/67/11/76/248671176.db2.gz IBOXBPLCIMFWFE-RYUDHWBXSA-N 1 0 323.397 1.426 20 5 DDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1C[C@H](SC)[C@@H]([NH+](C)C)C1 ZINC000359595210 299495617 /nfs/dbraw/zinc/49/56/17/299495617.db2.gz OWGLSYRXYFETGJ-QWRGUYRKSA-N 1 0 313.427 1.601 20 5 DDBDRO C[C@@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@H]1CCOC1 ZINC000274117919 211370321 /nfs/dbraw/zinc/37/03/21/211370321.db2.gz WPBHUJDBUXUFCO-NEPJUHHUSA-N 1 0 307.350 1.572 20 5 DDBDRO CCCN(CC[NH+](C)C)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000104530796 194013995 /nfs/dbraw/zinc/01/39/95/194013995.db2.gz AWTPZUJSPCGTHO-UHFFFAOYSA-N 1 0 319.365 1.885 20 5 DDBDRO CC[NH+]1CCC(NC(=O)c2cc(C)cc([N+](=O)[O-])c2N)CC1 ZINC000104834085 194045289 /nfs/dbraw/zinc/04/52/89/194045289.db2.gz WEVIPBIQJJWVLD-UHFFFAOYSA-N 1 0 306.366 1.700 20 5 DDBDRO Cc1ccc(CN2CCO[C@H]3CC[N@@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000284719166 218147833 /nfs/dbraw/zinc/14/78/33/218147833.db2.gz UTHHUGJRDMOMSA-CVEARBPZSA-N 1 0 305.378 1.808 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCC[C@@H]1CC(N)=O ZINC000339138255 250310083 /nfs/dbraw/zinc/31/00/83/250310083.db2.gz ZTPJQTQEMANPEP-GFCCVEGCSA-N 1 0 307.350 1.833 20 5 DDBDRO CC[C@@H]1C[N@H+](C)CCN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000567435192 304218555 /nfs/dbraw/zinc/21/85/55/304218555.db2.gz JPFVJIOMRYWUKH-CYBMUJFWSA-N 1 0 320.393 1.584 20 5 DDBDRO CC(C)[NH+](CCN(C)C(=O)c1cc([N+](=O)[O-])cnc1N)C(C)C ZINC000352094052 284776661 /nfs/dbraw/zinc/77/66/61/284776661.db2.gz WTOCQAMWDZLHIF-UHFFFAOYSA-N 1 0 323.397 1.763 20 5 DDBDRO C[NH+](C)[C@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)c1ccc(F)cc1 ZINC000285081985 218283596 /nfs/dbraw/zinc/28/35/96/218283596.db2.gz MLNAVGBNDINPMV-GFCCVEGCSA-N 1 0 321.312 1.490 20 5 DDBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000285202322 218330920 /nfs/dbraw/zinc/33/09/20/218330920.db2.gz OVLGHGZQVVSING-PHIMTYICSA-N 1 0 309.370 1.416 20 5 DDBDRO Nc1ccc(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)cc1[N+](=O)[O-] ZINC000106791617 194253346 /nfs/dbraw/zinc/25/33/46/194253346.db2.gz RUYWCFUMTFOBIK-LBPRGKRZSA-N 1 0 318.377 1.924 20 5 DDBDRO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCN(Cc2ccccc2)CC1 ZINC000340428036 251060675 /nfs/dbraw/zinc/06/06/75/251060675.db2.gz JHQUMGCKQRYZOD-UHFFFAOYSA-N 1 0 314.345 1.881 20 5 DDBDRO CC(C)[N@H+](C[C@@H](C)O)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000340792998 251215229 /nfs/dbraw/zinc/21/52/29/251215229.db2.gz RSKKZYYRHIROAK-OCCSQVGLSA-N 1 0 312.366 1.426 20 5 DDBDRO CCN(CCC[NH+]1CCCC1)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000276412867 284896183 /nfs/dbraw/zinc/89/61/83/284896183.db2.gz IDNIWHVEHTUZQB-UHFFFAOYSA-N 1 0 309.370 1.276 20 5 DDBDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000341068137 251365696 /nfs/dbraw/zinc/36/56/96/251365696.db2.gz YCTMWNUAEPMJRT-VXGBXAGGSA-N 1 0 309.370 1.170 20 5 DDBDRO CC[C@H](C)[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000066137776 184392472 /nfs/dbraw/zinc/39/24/72/184392472.db2.gz NYNBOBGREXTQHP-JTQLQIEISA-N 1 0 324.337 1.963 20 5 DDBDRO CC(C)[C@H](CO)[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000359814569 299542217 /nfs/dbraw/zinc/54/22/17/299542217.db2.gz STLYYTQYEDZQRD-LBPRGKRZSA-N 1 0 306.322 1.751 20 5 DDBDRO COc1cc(C[N@@H+]2CCC[C@H](CNC(C)=O)C2)ccc1[N+](=O)[O-] ZINC000352425675 285041710 /nfs/dbraw/zinc/04/17/10/285041710.db2.gz MORRKXVFAZCYDC-CQSZACIVSA-N 1 0 321.377 1.952 20 5 DDBDRO CC(C)[C@H](O)CC[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000567876665 304250509 /nfs/dbraw/zinc/25/05/09/304250509.db2.gz WHUYSPZDUPXWJN-TZMCWYRMSA-N 1 0 312.366 1.331 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@@H](CO)C1 ZINC000248374767 285164258 /nfs/dbraw/zinc/16/42/58/285164258.db2.gz TYTJKUCFSCMHCS-OLZOCXBDSA-N 1 0 310.350 1.039 20 5 DDBDRO COc1ccc(OCC[N@H+](C)[C@H]2CCC[C@H]2O)c([N+](=O)[O-])c1 ZINC000352659517 285204023 /nfs/dbraw/zinc/20/40/23/285204023.db2.gz NQFRHLXOIABREJ-GXTWGEPZSA-N 1 0 310.350 1.827 20 5 DDBDRO Cc1c([C@@H](C)[NH2+]CCCn2cc(CO)nn2)cccc1[N+](=O)[O-] ZINC000289668496 221142362 /nfs/dbraw/zinc/14/23/62/221142362.db2.gz HBEIBNWQMFTKGT-GFCCVEGCSA-N 1 0 319.365 1.728 20 5 DDBDRO CCN1C[C@H](C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1=O ZINC001120488650 781980110 /nfs/dbraw/zinc/98/01/10/781980110.db2.gz HHMSRKLTCZRDOR-SMDDNHRTSA-N 1 0 307.350 1.086 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000415484044 224617837 /nfs/dbraw/zinc/61/78/37/224617837.db2.gz NOSLXDLLRRKZHA-LBPRGKRZSA-N 1 0 322.365 1.793 20 5 DDBDRO COC[C@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000181567573 285397682 /nfs/dbraw/zinc/39/76/82/285397682.db2.gz RSUDBOKDTPZQTD-AWEZNQCLSA-N 1 0 307.350 1.572 20 5 DDBDRO COCCCC[N@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000419378135 533252108 /nfs/dbraw/zinc/25/21/08/533252108.db2.gz DCLDEVFYBYMZNF-UHFFFAOYSA-N 1 0 309.366 1.916 20 5 DDBDRO COc1ccc(CNC(=O)C[C@@H]2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000427346463 533588865 /nfs/dbraw/zinc/58/88/65/533588865.db2.gz JDWLZULKCTZDRX-GFCCVEGCSA-N 1 0 321.377 1.999 20 5 DDBDRO COc1ccc(CNC(=O)[C@@H]2[NH2+]CCCC2(C)C)cc1[N+](=O)[O-] ZINC000423054245 533640566 /nfs/dbraw/zinc/64/05/66/533640566.db2.gz BOGGTIFCYYEHQU-AWEZNQCLSA-N 1 0 321.377 1.998 20 5 DDBDRO Cc1cc(S(=O)(=O)N[C@@H](C)C[NH+](C)C)c(C)cc1[N+](=O)[O-] ZINC000416486825 291979480 /nfs/dbraw/zinc/97/94/80/291979480.db2.gz JYBKTPHDRSHCKN-NSHDSACASA-N 1 0 315.395 1.440 20 5 DDBDRO Cc1ccc(C)c(S(=O)(=O)NC(C)(C)CC[NH3+])c1[N+](=O)[O-] ZINC000422553982 292087365 /nfs/dbraw/zinc/08/73/65/292087365.db2.gz VSCKTHJRBSIBKN-UHFFFAOYSA-N 1 0 315.395 1.617 20 5 DDBDRO Cc1ccc(C)c(S(=O)(=O)N2CCC([NH3+])CC2)c1[N+](=O)[O-] ZINC000193223332 292086056 /nfs/dbraw/zinc/08/60/56/292086056.db2.gz JPDGTFZFPGXESA-UHFFFAOYSA-N 1 0 313.379 1.323 20 5 DDBDRO Cc1cc(S(=O)(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)ccc1[N+](=O)[O-] ZINC000353490657 285765555 /nfs/dbraw/zinc/76/55/55/285765555.db2.gz HYHVFASJZKBJSS-GHMZBOCLSA-N 1 0 313.379 1.274 20 5 DDBDRO C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000569213800 304341574 /nfs/dbraw/zinc/34/15/74/304341574.db2.gz CXVBRHMUVBUCCF-MBNYWOFBSA-N 1 0 310.350 1.492 20 5 DDBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cc([N+](=O)[O-])nn1C ZINC000360726966 299731383 /nfs/dbraw/zinc/73/13/83/299731383.db2.gz TYEKJXYLOXDODD-JTQLQIEISA-N 1 0 309.370 1.131 20 5 DDBDRO COc1ccc(C[NH2+][C@@H](C)CCN2CCOCC2)cc1[N+](=O)[O-] ZINC000124278005 286311954 /nfs/dbraw/zinc/31/19/54/286311954.db2.gz GTALYHUFPZEWAB-ZDUSSCGKSA-N 1 0 323.393 1.804 20 5 DDBDRO O=C(Cc1ccccc1[N+](=O)[O-])N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000361077424 299798700 /nfs/dbraw/zinc/79/87/00/299798700.db2.gz BFXKDVPYSGGOLY-UONOGXRCSA-N 1 0 303.362 1.642 20 5 DDBDRO O=C(CNc1ccccc1[N+](=O)[O-])N[C@@H]1C[C@@H]1C1CC[NH2+]CC1 ZINC000361118542 299803697 /nfs/dbraw/zinc/80/36/97/299803697.db2.gz VMSPTAZZFUGCMF-TZMCWYRMSA-N 1 0 318.377 1.511 20 5 DDBDRO CC[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])s1)C1CC1 ZINC000077389314 406989060 /nfs/dbraw/zinc/98/90/60/406989060.db2.gz BSTJBDGJPSPGDN-UHFFFAOYSA-N 1 0 319.408 1.419 20 5 DDBDRO C[C@@H](CC[NH+](C)C)Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000049558541 407122811 /nfs/dbraw/zinc/12/28/11/407122811.db2.gz XTQRXFZTRMEURX-JTQLQIEISA-N 1 0 315.395 1.750 20 5 DDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2CCC[NH2+]2)c(Cl)c1 ZINC000053254432 407165105 /nfs/dbraw/zinc/16/51/05/407165105.db2.gz FVZAJHOMDQUILK-MRVPVSSYSA-N 1 0 319.770 1.279 20 5 DDBDRO NC(=O)c1ccc(CN2CC[NH+](CC3CC3)CC2)c([N+](=O)[O-])c1 ZINC000053237817 407165702 /nfs/dbraw/zinc/16/57/02/407165702.db2.gz JPYCKPIOOOKOSV-UHFFFAOYSA-N 1 0 318.377 1.221 20 5 DDBDRO CC[NH2+]Cc1cccc(NC(=O)CCn2cc([N+](=O)[O-])cn2)c1 ZINC000123398707 407328141 /nfs/dbraw/zinc/32/81/41/407328141.db2.gz MZCKGHIDWILADK-UHFFFAOYSA-N 1 0 317.349 1.930 20 5 DDBDRO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000103283666 407336313 /nfs/dbraw/zinc/33/63/13/407336313.db2.gz ROGFRWFIJNZMQZ-STQMWFEESA-N 1 0 321.377 1.950 20 5 DDBDRO C[C@@H]1C[C@H](N(C)C(=O)COc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000124811744 407370224 /nfs/dbraw/zinc/37/02/24/407370224.db2.gz LLPVMHOMXAFNEL-CHWSQXEVSA-N 1 0 321.377 1.915 20 5 DDBDRO CC[N@@H+]1CC[C@@H](CNC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000107892518 407381131 /nfs/dbraw/zinc/38/11/31/407381131.db2.gz AGVLSJVTKKGBLC-LBPRGKRZSA-N 1 0 307.350 1.432 20 5 DDBDRO CCOc1cc(C(=O)N[C@H]2CC[NH2+]C2)c([N+](=O)[O-])cc1OC ZINC000126231650 407409218 /nfs/dbraw/zinc/40/92/18/407409218.db2.gz MUXNRTRJZWOVPV-VIFPVBQESA-N 1 0 309.322 1.094 20 5 DDBDRO CNC(=O)CC[N@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000170782846 407503004 /nfs/dbraw/zinc/50/30/04/407503004.db2.gz SMJDWJYNUCIBBU-NSHDSACASA-N 1 0 322.365 1.298 20 5 DDBDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000271087333 407507591 /nfs/dbraw/zinc/50/75/91/407507591.db2.gz HHESQRVOXDFPQW-GFCCVEGCSA-N 1 0 323.397 1.570 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@H]2CCCC[C@@H]2n2cccn2)n1 ZINC000128601741 407554625 /nfs/dbraw/zinc/55/46/25/407554625.db2.gz AGBONTVSNPWVOC-STQMWFEESA-N 1 0 304.354 1.761 20 5 DDBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@](C)(C[NH3+])C1 ZINC000261674121 407574429 /nfs/dbraw/zinc/57/44/29/407574429.db2.gz JHVASLIZNCZIAG-XHDPSFHLSA-N 1 0 306.366 1.593 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@@H](C[NH+](C)C)C1 ZINC000114479076 407578069 /nfs/dbraw/zinc/57/80/69/407578069.db2.gz RHHPIHJXTKZAOK-ZDUSSCGKSA-N 1 0 320.393 1.725 20 5 DDBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2[nH]nc(C)c2[N+](=O)[O-])[C@H](C)C1 ZINC000266111909 407532464 /nfs/dbraw/zinc/53/24/64/407532464.db2.gz VGVKNXXJQLGLJW-MWLCHTKSSA-N 1 0 309.370 1.429 20 5 DDBDRO COC(=O)[C@H](C)C[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000114063542 407540085 /nfs/dbraw/zinc/54/00/85/407540085.db2.gz BYOAASGWJBPKBY-LLVKDONJSA-N 1 0 323.349 1.664 20 5 DDBDRO CC(C)C(=O)NCC[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000271152508 407540355 /nfs/dbraw/zinc/54/03/55/407540355.db2.gz ITQUOXXUPVTEFU-AWEZNQCLSA-N 1 0 309.366 1.332 20 5 DDBDRO Cc1nn(C)c(N2CCC(C[NH+]3CCCC3)CC2)c1[N+](=O)[O-] ZINC000114708863 407603729 /nfs/dbraw/zinc/60/37/29/407603729.db2.gz OXFKHYVRQAHGSO-UHFFFAOYSA-N 1 0 307.398 1.949 20 5 DDBDRO Cc1c(NC(=O)[C@@H](C)[N@@H+](C)CC[C@H](C)O)cccc1[N+](=O)[O-] ZINC000266715973 407612089 /nfs/dbraw/zinc/61/20/89/407612089.db2.gz FZJDZVBFMYRHMB-CMPLNLGQSA-N 1 0 309.366 1.933 20 5 DDBDRO C[NH2+][C@@H]1CCCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000261793623 407615389 /nfs/dbraw/zinc/61/53/89/407615389.db2.gz QRBZSMKWMXQBFU-CYBMUJFWSA-N 1 0 306.366 1.607 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N(C)C1CC[NH+](C)CC1 ZINC000171222557 407632927 /nfs/dbraw/zinc/63/29/27/407632927.db2.gz BMCLPGQGZREYFL-UHFFFAOYSA-N 1 0 320.393 1.827 20 5 DDBDRO CSc1ccc(C(=O)NCC2=CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000186340290 407640675 /nfs/dbraw/zinc/64/06/75/407640675.db2.gz YPQCNHPAPKQOFX-UHFFFAOYSA-N 1 0 307.375 1.966 20 5 DDBDRO CC[C@H]1C[N@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C[C@@H]1O ZINC000271347250 407647633 /nfs/dbraw/zinc/64/76/33/407647633.db2.gz PGOWBHLFANAJPY-GWCFXTLKSA-N 1 0 310.350 1.815 20 5 DDBDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000271402692 407669645 /nfs/dbraw/zinc/66/96/45/407669645.db2.gz NANHRORKSIHYQU-LLVKDONJSA-N 1 0 311.386 1.569 20 5 DDBDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000115439649 407681374 /nfs/dbraw/zinc/68/13/74/407681374.db2.gz SATXPXGZKKXFRT-ZDUSSCGKSA-N 1 0 320.393 1.807 20 5 DDBDRO CCC(=O)N[C@@H]1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000130384221 407683932 /nfs/dbraw/zinc/68/39/32/407683932.db2.gz KIRUGGZGXTZFRZ-CYBMUJFWSA-N 1 0 321.377 1.964 20 5 DDBDRO Cc1ncsc1CN(C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000179213160 407756006 /nfs/dbraw/zinc/75/60/06/407756006.db2.gz PSFOHTFZIMZMGB-UHFFFAOYSA-N 1 0 308.363 1.653 20 5 DDBDRO COc1cc(C(=O)N[C@H]2C[NH2+]CC[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000186685215 407744474 /nfs/dbraw/zinc/74/44/74/407744474.db2.gz XLXBXGKBJMLJBU-KOLCDFICSA-N 1 0 323.349 1.340 20 5 DDBDRO CCc1n[nH]c(C(=O)N(C)CC2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000171809616 407773371 /nfs/dbraw/zinc/77/33/71/407773371.db2.gz QRLBGLQSJMWMTL-UHFFFAOYSA-N 1 0 309.370 1.294 20 5 DDBDRO Cc1cc(NCCN2CCC([NH+](C)C)CC2)ncc1[N+](=O)[O-] ZINC000267193726 407784549 /nfs/dbraw/zinc/78/45/49/407784549.db2.gz MZJPRPGNXKKGNL-UHFFFAOYSA-N 1 0 307.398 1.736 20 5 DDBDRO COC(=O)c1cc(NC(=O)CC2([NH3+])CCC2)cc([N+](=O)[O-])c1 ZINC000237184874 407805078 /nfs/dbraw/zinc/80/50/78/407805078.db2.gz SVQQWTWFESZBHW-UHFFFAOYSA-N 1 0 307.306 1.591 20 5 DDBDRO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000237390687 407816135 /nfs/dbraw/zinc/81/61/35/407816135.db2.gz VYJITDYZRYXCSA-VXGBXAGGSA-N 1 0 306.366 1.369 20 5 DDBDRO CCn1c(CC[NH3+])nnc1Sc1nccc(C)c1[N+](=O)[O-] ZINC000267323157 407833013 /nfs/dbraw/zinc/83/30/13/407833013.db2.gz AKOUBQCRFPEVME-UHFFFAOYSA-N 1 0 308.367 1.562 20 5 DDBDRO CC[N@@H+]1CCCN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC1 ZINC000272327758 407870402 /nfs/dbraw/zinc/87/04/02/407870402.db2.gz MWTBJAVEHRDNLF-UHFFFAOYSA-N 1 0 321.333 1.491 20 5 DDBDRO O=C(C[C@H]1CSCC[NH2+]1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000238083159 407886375 /nfs/dbraw/zinc/88/63/75/407886375.db2.gz JNGDGIRQPMXMBP-ZDUSSCGKSA-N 1 0 321.402 1.575 20 5 DDBDRO C[C@@H]1Cc2ccccc2C[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000173801517 407897758 /nfs/dbraw/zinc/89/77/58/407897758.db2.gz GLQMLHMIUYTUQV-WBMJQRKESA-N 1 0 316.361 1.599 20 5 DDBDRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000154060434 407966442 /nfs/dbraw/zinc/96/64/42/407966442.db2.gz OOHUVZBFGXWWDP-AWEZNQCLSA-N 1 0 321.377 1.772 20 5 DDBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000268276226 407981394 /nfs/dbraw/zinc/98/13/94/407981394.db2.gz WGHODFVLYIRGOD-XHDPSFHLSA-N 1 0 303.362 1.736 20 5 DDBDRO CN(C)C[C@@H](O)C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000154254654 408002637 /nfs/dbraw/zinc/00/26/37/408002637.db2.gz GSVGOAPKFCQTPI-LSDHHAIUSA-N 1 0 307.394 1.428 20 5 DDBDRO O=C1CCCCN1C1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000120368413 408127215 /nfs/dbraw/zinc/12/72/15/408127215.db2.gz COJUGBAFOQHYAJ-UHFFFAOYSA-N 1 0 321.381 1.268 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CN(CCO)Cc1cccnc1 ZINC000268689798 408158764 /nfs/dbraw/zinc/15/87/64/408158764.db2.gz OOSRVMILPVSYKX-UHFFFAOYSA-N 1 0 317.345 1.993 20 5 DDBDRO CCC[NH+]1CCN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CC1 ZINC000137970109 408161628 /nfs/dbraw/zinc/16/16/28/408161628.db2.gz DITAMCFCPRLRFF-UHFFFAOYSA-N 1 0 317.349 1.363 20 5 DDBDRO C[C@@H](CNC(=O)CNc1ccccc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000123859983 161811850 /nfs/dbraw/zinc/81/18/50/161811850.db2.gz ULHXVWKGPJGRAQ-ZDUSSCGKSA-N 1 0 320.393 1.855 20 5 DDBDRO COC(=O)c1cnc(NC[C@H](C)Cn2ccnc2)c([N+](=O)[O-])c1 ZINC000190168754 408180517 /nfs/dbraw/zinc/18/05/17/408180517.db2.gz HGDQNNIDURRNNH-JTQLQIEISA-N 1 0 319.321 1.721 20 5 DDBDRO C[C@@H]1CSCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000190451049 408247561 /nfs/dbraw/zinc/24/75/61/408247561.db2.gz QSXMNISTQQEOBK-JTQLQIEISA-N 1 0 309.391 1.879 20 5 DDBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](C[NH+](C)C)C1 ZINC000246366510 408234348 /nfs/dbraw/zinc/23/43/48/408234348.db2.gz LJYISSVNYGBVAT-STQMWFEESA-N 1 0 320.393 1.805 20 5 DDBDRO CC[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C[C@H](C)O ZINC000246736799 408327597 /nfs/dbraw/zinc/32/75/97/408327597.db2.gz FXMPYNZSXRJGBW-JSGCOSHPSA-N 1 0 321.377 1.512 20 5 DDBDRO CCc1n[nH]c(C(=O)N2CC[C@@H](C[N@@H+](C)CC)C2)c1[N+](=O)[O-] ZINC000176086678 408282533 /nfs/dbraw/zinc/28/25/33/408282533.db2.gz RFVXITRVHUGMQD-JTQLQIEISA-N 1 0 309.370 1.294 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000269390663 408291889 /nfs/dbraw/zinc/29/18/89/408291889.db2.gz RHAFSSABJVZSFO-MNOVXSKESA-N 1 0 321.381 1.798 20 5 DDBDRO C[C@H](O)[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000183196548 408348856 /nfs/dbraw/zinc/34/88/56/408348856.db2.gz QYLOCRBARMMPDC-SDDRHHMPSA-N 1 0 307.350 1.625 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000269549192 408351079 /nfs/dbraw/zinc/35/10/79/408351079.db2.gz XJARPNMCFVNIPB-QWRGUYRKSA-N 1 0 323.397 1.854 20 5 DDBDRO C[C@@H](CNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-])[NH+](C)C ZINC000137965836 162129674 /nfs/dbraw/zinc/12/96/74/162129674.db2.gz GJGBPWBNBCQMOC-VIFPVBQESA-N 1 0 301.368 1.360 20 5 DDBDRO CCc1n[nH]c(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000171807615 162243283 /nfs/dbraw/zinc/24/32/83/162243283.db2.gz FWNHPVVADIPLJZ-SNVBAGLBSA-N 1 0 307.354 1.191 20 5 DDBDRO CC(C)C[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1N)[NH+](C)C ZINC000176654891 408413839 /nfs/dbraw/zinc/41/38/39/408413839.db2.gz OVXXENROURIAQB-NSHDSACASA-N 1 0 308.382 1.883 20 5 DDBDRO CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000191369381 408414968 /nfs/dbraw/zinc/41/49/68/408414968.db2.gz DWCQPFVBLLHUGS-UONOGXRCSA-N 1 0 323.393 1.940 20 5 DDBDRO Cc1cc(C(=O)N2CC[C@H](C[NH+](C)C)C2)c(N)c([N+](=O)[O-])c1 ZINC000176690457 408416912 /nfs/dbraw/zinc/41/69/12/408416912.db2.gz MABVVNDOEGIVIM-LLVKDONJSA-N 1 0 306.366 1.509 20 5 DDBDRO Cc1cc(N[C@@H](C)CC[NH+]2CCN(C)CC2)ncc1[N+](=O)[O-] ZINC000274526537 408439228 /nfs/dbraw/zinc/43/92/28/408439228.db2.gz XSVCGDVLLBPTMK-ZDUSSCGKSA-N 1 0 307.398 1.736 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@]3(CC=CCC3)C2)c1 ZINC000247707397 408505175 /nfs/dbraw/zinc/50/51/75/408505175.db2.gz ZHBOBZRHYAULQB-HZPDHXFCSA-N 1 0 320.393 1.975 20 5 DDBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000176898732 408468452 /nfs/dbraw/zinc/46/84/52/408468452.db2.gz UBXLPMYVZFIUJO-CQSZACIVSA-N 1 0 323.393 1.990 20 5 DDBDRO C[C@@H]1CCC[C@@H](CO)[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248441389 408565011 /nfs/dbraw/zinc/56/50/11/408565011.db2.gz DQGXXAUHODJIDV-HZSPNIEDSA-N 1 0 324.377 1.570 20 5 DDBDRO C[N@H+](CCNC(=O)c1cc([N+](=O)[O-])cnc1N)C1CCCC1 ZINC000184383712 408602122 /nfs/dbraw/zinc/60/21/22/408602122.db2.gz UFXWIHPJMTUUSD-UHFFFAOYSA-N 1 0 307.354 1.176 20 5 DDBDRO CN(CC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1)c1ccccc1[N+](=O)[O-] ZINC000248615203 408597291 /nfs/dbraw/zinc/59/72/91/408597291.db2.gz LVEHTOYLEDQQOZ-YNEHKIRRSA-N 1 0 318.377 1.227 20 5 DDBDRO C[N@H+]1C[C@H]2CN(C(=O)/C=C/c3ccccc3[N+](=O)[O-])C[C@H]2C1 ZINC000192506102 408600710 /nfs/dbraw/zinc/60/07/10/408600710.db2.gz DXDULVNLEWDGIB-RNBGUABESA-N 1 0 301.346 1.628 20 5 DDBDRO O=[N+]([O-])c1cccc(OCC[N@@H+](CCO)C2CCOCC2)c1 ZINC000275615712 408620234 /nfs/dbraw/zinc/62/02/34/408620234.db2.gz SZXRRCRUZUXBID-UHFFFAOYSA-N 1 0 310.350 1.447 20 5 DDBDRO CC(C)OC(=O)C[C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000184453445 408620394 /nfs/dbraw/zinc/62/03/94/408620394.db2.gz XTUUMZBHAFCUBC-ZDUSSCGKSA-N 1 0 324.381 1.845 20 5 DDBDRO CC(C)[C@@H]([NH3+])C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000161977543 408657142 /nfs/dbraw/zinc/65/71/42/408657142.db2.gz BUGFWOVZUSTSRK-OAHLLOKOSA-N 1 0 321.377 1.948 20 5 DDBDRO Cn1c(Sc2ncccc2[N+](=O)[O-])nnc1C1CC[NH2+]CC1 ZINC000265483329 408667446 /nfs/dbraw/zinc/66/74/46/408667446.db2.gz TUSSDOZMLJLJDL-UHFFFAOYSA-N 1 0 320.378 1.737 20 5 DDBDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000185247984 408786978 /nfs/dbraw/zinc/78/69/78/408786978.db2.gz LJKCFSJDHWLBPH-VHSXEESVSA-N 1 0 307.354 1.175 20 5 DDBDRO C[C@@H]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000253182790 408810327 /nfs/dbraw/zinc/81/03/27/408810327.db2.gz GDOXYHFJIFJLGZ-GHMZBOCLSA-N 1 0 313.379 1.200 20 5 DDBDRO COC[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000265756983 408772571 /nfs/dbraw/zinc/77/25/71/408772571.db2.gz GITOOJMKOJQUNZ-NWDGAFQWSA-N 1 0 307.350 1.890 20 5 DDBDRO C[C@@H](C(=O)NC[C@H]1CC[N@H+](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000185183489 408775636 /nfs/dbraw/zinc/77/56/36/408775636.db2.gz NWUZMFDDRQWAGM-GHMZBOCLSA-N 1 0 309.341 1.905 20 5 DDBDRO CCSCC[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000276157268 408823317 /nfs/dbraw/zinc/82/33/17/408823317.db2.gz FONSSCZLBPHJND-UHFFFAOYSA-N 1 0 318.420 1.711 20 5 DDBDRO [NH3+]CC[C@@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000286037930 408912441 /nfs/dbraw/zinc/91/24/41/408912441.db2.gz KQNICDLQDAMRGC-NSHDSACASA-N 1 0 322.321 1.847 20 5 DDBDRO COc1ccc(C(=O)N2CC[NH+]3CCC2CC3)cc1[N+](=O)[O-] ZINC000188828571 163071960 /nfs/dbraw/zinc/07/19/60/163071960.db2.gz FBNAKJKEADZPHO-UHFFFAOYSA-N 1 0 305.334 1.524 20 5 DDBDRO C[C@@H](CNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1)C[NH+](C)C ZINC000291829424 408928664 /nfs/dbraw/zinc/92/86/64/408928664.db2.gz LCDVNTHRWAIURW-VIFPVBQESA-N 1 0 305.338 1.853 20 5 DDBDRO C[NH+](C)[C@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000277385938 408931264 /nfs/dbraw/zinc/93/12/64/408931264.db2.gz WWDYHSQRJNIEMV-NSHDSACASA-N 1 0 306.366 1.733 20 5 DDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H]1CCC[NH2+]CC1 ZINC000226459889 163336272 /nfs/dbraw/zinc/33/62/72/163336272.db2.gz HPYZJYCSMKFVHN-NSHDSACASA-N 1 0 313.379 1.324 20 5 DDBDRO C[C@@]1(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)CCCC[NH2+]1 ZINC000237498121 163379890 /nfs/dbraw/zinc/37/98/90/163379890.db2.gz MHGMIMYXKRTCIJ-HNNXBMFYSA-N 1 0 306.366 1.655 20 5 DDBDRO O=C(CC[N@@H+](CCO)C1CCC1)Nc1ccccc1[N+](=O)[O-] ZINC000281948426 408959028 /nfs/dbraw/zinc/95/90/28/408959028.db2.gz FKRIWPOPCUFQMI-UHFFFAOYSA-N 1 0 307.350 1.770 20 5 DDBDRO [NH3+]CC[C@@H]1CCCN(C(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000281987758 408966864 /nfs/dbraw/zinc/96/68/64/408966864.db2.gz PIKPUOZDZIXDIK-ZDUSSCGKSA-N 1 0 321.377 1.951 20 5 DDBDRO Cc1c(C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000277672551 408989455 /nfs/dbraw/zinc/98/94/55/408989455.db2.gz UTDVNBURHSUPHP-QPUJVOFHSA-N 1 0 322.321 1.539 20 5 DDBDRO CO[C@@H]1CCC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000246122141 163458786 /nfs/dbraw/zinc/45/87/86/163458786.db2.gz NMZBZPAPDWCOTL-UKRRQHHQSA-N 1 0 310.350 1.445 20 5 DDBDRO C[C@@H](C[NH+](C)C)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000287260920 409010273 /nfs/dbraw/zinc/01/02/73/409010273.db2.gz RRIIEIWHEUOHGV-LBPRGKRZSA-N 1 0 320.393 1.875 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000278076683 409062268 /nfs/dbraw/zinc/06/22/68/409062268.db2.gz WOXZNPBDCBMWKQ-ZDUSSCGKSA-N 1 0 320.393 1.269 20 5 DDBDRO CC(C)CC[NH+]1CCC(CNC(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000287610331 409064161 /nfs/dbraw/zinc/06/41/61/409064161.db2.gz SLHDJVBLSVBWJP-UHFFFAOYSA-N 1 0 323.397 1.806 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CC[N@H+](C)C2)c1 ZINC000283411235 409151556 /nfs/dbraw/zinc/15/15/56/409151556.db2.gz HYTWVARPICUUDJ-LLVKDONJSA-N 1 0 307.350 1.675 20 5 DDBDRO NC(=O)c1ccc(C[NH2+][C@@H]2CCC[C@@H]2CCO)c([N+](=O)[O-])c1 ZINC000279167522 409162044 /nfs/dbraw/zinc/16/20/44/409162044.db2.gz BRFSSMVVFNQKJF-ZWNOBZJWSA-N 1 0 307.350 1.334 20 5 DDBDRO C[NH2+][C@H](C)Cc1noc(CCNc2ccccc2[N+](=O)[O-])n1 ZINC000261795742 163705123 /nfs/dbraw/zinc/70/51/23/163705123.db2.gz OTRSEPVWJKWDIY-SNVBAGLBSA-N 1 0 305.338 1.783 20 5 DDBDRO CC[NH+](CC)CCNC(=O)c1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000294169355 409253496 /nfs/dbraw/zinc/25/34/96/409253496.db2.gz CIDBDNWUAVCDFC-UHFFFAOYSA-N 1 0 313.329 1.814 20 5 DDBDRO COc1ccc(C[NH2+]C[C@@H](CO)[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000280315850 409291113 /nfs/dbraw/zinc/29/11/13/409291113.db2.gz OUWUNENRQDNYLV-OLZOCXBDSA-N 1 0 310.350 1.338 20 5 DDBDRO Cc1cc(C)c(S(=O)(=O)NC2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000262780761 163877743 /nfs/dbraw/zinc/87/77/43/163877743.db2.gz PAAWZFDGUUXVAR-UHFFFAOYSA-N 1 0 313.379 1.242 20 5 DDBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@H](CC(N)=O)c1ccccc1 ZINC000280552668 409356211 /nfs/dbraw/zinc/35/62/11/409356211.db2.gz QOLNLTLCHXZCDS-CYBMUJFWSA-N 1 0 317.349 1.340 20 5 DDBDRO C[C@@H]1CCOCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000373280173 164169398 /nfs/dbraw/zinc/16/93/98/164169398.db2.gz JMGOGFHUOUVIAQ-CHWSQXEVSA-N 1 0 310.350 1.445 20 5 DDBDRO CN(CC[N@H+](C)C1CC1)C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000354081312 409636361 /nfs/dbraw/zinc/63/63/61/409636361.db2.gz DAJYRUQQQBEKJD-UHFFFAOYSA-N 1 0 309.370 1.079 20 5 DDBDRO C[C@@H](CO)[N@@H+]1CCCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000345043248 409602862 /nfs/dbraw/zinc/60/28/62/409602862.db2.gz GIYCFNXHGKJRRY-JTQLQIEISA-N 1 0 314.773 1.536 20 5 DDBDRO CC[C@@H]1CN(c2ncc([N+](=O)[O-])c(C)n2)CC[N@@H+]1CCOC ZINC000296923781 409709254 /nfs/dbraw/zinc/70/92/54/409709254.db2.gz AVFAXAYQNGQORS-GFCCVEGCSA-N 1 0 309.370 1.240 20 5 DDBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1F ZINC000304943453 409647433 /nfs/dbraw/zinc/64/74/33/409647433.db2.gz PRJJUTPYHUILFK-BXUZGUMPSA-N 1 0 322.340 1.951 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@@H]([NH3+])C1 ZINC000346068456 409753935 /nfs/dbraw/zinc/75/39/35/409753935.db2.gz MCHUNNRLQBVXPI-GFCCVEGCSA-N 1 0 306.366 1.655 20 5 DDBDRO CC[C@H](C)[NH+]1CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000297011629 409759170 /nfs/dbraw/zinc/75/91/70/409759170.db2.gz RBWIBTJHQNLGMX-JTQLQIEISA-N 1 0 308.338 1.252 20 5 DDBDRO CS[C@@H]1CN(c2cccc(C(N)=O)c2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000342699381 409823037 /nfs/dbraw/zinc/82/30/37/409823037.db2.gz IFBTZDNRDDHWCZ-NWDGAFQWSA-N 1 0 324.406 1.176 20 5 DDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000357069004 409834981 /nfs/dbraw/zinc/83/49/81/409834981.db2.gz FASJPSDLOUNNQJ-FRRDWIJNSA-N 1 0 318.377 1.463 20 5 DDBDRO [NH3+]C1(CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)CCC1 ZINC000342655361 409791654 /nfs/dbraw/zinc/79/16/54/409791654.db2.gz KJYNXIFSQDPCGC-UHFFFAOYSA-N 1 0 300.318 1.754 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)n1 ZINC000342783807 409903832 /nfs/dbraw/zinc/90/38/32/409903832.db2.gz JUWLTVCTVIYAHA-FOSCPWQOSA-N 1 0 321.381 1.508 20 5 DDBDRO CNc1ccc(C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000317099097 409862572 /nfs/dbraw/zinc/86/25/72/409862572.db2.gz BIAQNKFBILJHQE-PWSUYJOCSA-N 1 0 306.366 1.849 20 5 DDBDRO COCC[N@H+](C)CCNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342880489 409968834 /nfs/dbraw/zinc/96/88/34/409968834.db2.gz IYAOBOMUWNYMKK-UHFFFAOYSA-N 1 0 320.349 1.384 20 5 DDBDRO COC(=O)c1cc(C(=O)NCC[N@H+](C)C(C)C)cc([N+](=O)[O-])c1 ZINC000338422076 409976247 /nfs/dbraw/zinc/97/62/47/409976247.db2.gz KZAJMCMROABGQD-UHFFFAOYSA-N 1 0 323.349 1.451 20 5 DDBDRO CCCC[N@H+](C)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000354630933 409979774 /nfs/dbraw/zinc/97/97/74/409979774.db2.gz WRYSSJZDLMOFIV-UHFFFAOYSA-N 1 0 315.395 1.605 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2CCC[N@H+](C)[C@@H]2C)n1 ZINC000342829662 409932439 /nfs/dbraw/zinc/93/24/39/409932439.db2.gz FDHJVJSZMMMTSG-NXEZZACHSA-N 1 0 308.338 1.671 20 5 DDBDRO COC(=O)c1cc(C)nc(N(CC[NH+](C)C)C(C)C)c1[N+](=O)[O-] ZINC000342838640 409938897 /nfs/dbraw/zinc/93/88/97/409938897.db2.gz HSHWNEUGRIHFDB-UHFFFAOYSA-N 1 0 324.381 1.861 20 5 DDBDRO C[NH+](C)[C@@H]1CC[C@@H](NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000332233680 410001576 /nfs/dbraw/zinc/00/15/76/410001576.db2.gz NHRXSTNEJUEKCJ-GHMZBOCLSA-N 1 0 321.333 1.536 20 5 DDBDRO O=C(NCCNc1cc[nH+]cc1)Nc1ccc([N+](=O)[O-])cc1F ZINC000351647429 410131954 /nfs/dbraw/zinc/13/19/54/410131954.db2.gz BXWZYFQNABHHBZ-UHFFFAOYSA-N 1 0 319.296 1.784 20 5 DDBDRO C[C@H]([NH3+])[C@@H]1CCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000351863471 410300901 /nfs/dbraw/zinc/30/09/01/410300901.db2.gz UBBGRBRRDFTNMU-YWPYICTPSA-N 1 0 318.377 1.369 20 5 DDBDRO CCOc1ccc([C@H](C)NC[C@@]2(O)CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000358251982 410419910 /nfs/dbraw/zinc/41/99/10/410419910.db2.gz NDFMMNRJFANMOT-LRDDRELGSA-N 1 0 323.393 1.711 20 5 DDBDRO COCC[N@@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000299246880 410578322 /nfs/dbraw/zinc/57/83/22/410578322.db2.gz ZNZYZGNMRJXYML-UHFFFAOYSA-N 1 0 307.350 1.389 20 5 DDBDRO NC(=O)c1cc([N+](=O)[O-])cnc1N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000301212218 410678990 /nfs/dbraw/zinc/67/89/90/410678990.db2.gz XLTXFZYIEXFZKO-JTQLQIEISA-N 1 0 319.365 1.518 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000330572847 410788911 /nfs/dbraw/zinc/78/89/11/410788911.db2.gz DTAOXANNMQNKOY-OLZOCXBDSA-N 1 0 320.393 1.866 20 5 DDBDRO CCC[NH+]1CCN(c2cc(C(=O)OC)ccc2[N+](=O)[O-])CC1 ZINC000302101643 410841095 /nfs/dbraw/zinc/84/10/95/410841095.db2.gz QBRWMEFEGWNAFE-UHFFFAOYSA-N 1 0 307.350 1.913 20 5 DDBDRO COc1ccc(OCC[N@@H+]2C[C@@H]3CC[C@H](O)[C@H]3C2)c([N+](=O)[O-])c1 ZINC000344054460 410923107 /nfs/dbraw/zinc/92/31/07/410923107.db2.gz IXZSRJJQWUKLAJ-WHOFXGATSA-N 1 0 322.361 1.685 20 5 DDBDRO C[C@@H]1CN(C)CCN1C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000331113754 410957801 /nfs/dbraw/zinc/95/78/01/410957801.db2.gz JKJYWGGVMMUSOP-SECBINFHSA-N 1 0 313.304 1.578 20 5 DDBDRO CC(C)[C@H]1CN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000331125793 410965248 /nfs/dbraw/zinc/96/52/48/410965248.db2.gz HQRADMAHUDFHLH-OAHLLOKOSA-N 1 0 321.377 1.772 20 5 DDBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000359947545 410966264 /nfs/dbraw/zinc/96/62/64/410966264.db2.gz BSOFMWVIXBKDJG-JTQLQIEISA-N 1 0 308.338 1.300 20 5 DDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000360221014 411106019 /nfs/dbraw/zinc/10/60/19/411106019.db2.gz CKHJPGCUOBCYFM-RBSFLKMASA-N 1 0 309.410 1.766 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCc3ccccc3[C@H]2CO)n1 ZINC000130866097 196117958 /nfs/dbraw/zinc/11/79/58/196117958.db2.gz SOMAIPSBEVAFIL-CQSZACIVSA-N 1 0 302.334 1.383 20 5 DDBDRO C[C@@H]1C[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@@H]1CO ZINC000362068728 307012605 /nfs/dbraw/zinc/01/26/05/307012605.db2.gz CPMRGUWYRXHPAV-VXGBXAGGSA-N 1 0 307.350 1.118 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000417181344 225235791 /nfs/dbraw/zinc/23/57/91/225235791.db2.gz OAAVTJGMRLIWGC-ZWNOBZJWSA-N 1 0 322.365 1.401 20 5 DDBDRO COc1ccc(CNC(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000417203756 225243776 /nfs/dbraw/zinc/24/37/76/225243776.db2.gz ZBYBUSMGDFRMJV-JQWIXIFHSA-N 1 0 322.365 1.482 20 5 DDBDRO C[C@H]1C[C@H](NC(=O)NCCc2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000417223076 225252193 /nfs/dbraw/zinc/25/21/93/225252193.db2.gz GDUUVIIXJLUDPQ-WCQYABFASA-N 1 0 306.366 1.577 20 5 DDBDRO Cc1c(NC(=O)[C@H](C)N2CC[C@H]([NH3+])[C@@H]2C)cccc1[N+](=O)[O-] ZINC000420362647 226473979 /nfs/dbraw/zinc/47/39/79/226473979.db2.gz ZKMSFVDFUURSOF-SRVKXCTJSA-N 1 0 306.366 1.652 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC2(CC[NH2+]2)CC1 ZINC000422637054 227082538 /nfs/dbraw/zinc/08/25/38/227082538.db2.gz OBFRMGYBPHENHO-UHFFFAOYSA-N 1 0 318.377 1.670 20 5 DDBDRO C[C@@H]1CCCN(C(=O)COc2ccccc2[N+](=O)[O-])[C@@H]1C[NH3+] ZINC000156732896 221672492 /nfs/dbraw/zinc/67/24/92/221672492.db2.gz FCRKHEIULCEPPG-DGCLKSJQSA-N 1 0 307.350 1.559 20 5 DDBDRO CC(C)C[N@@H+]1CCCN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000360449309 418438316 /nfs/dbraw/zinc/43/83/16/418438316.db2.gz QIGNIUMJCHXUHA-UHFFFAOYSA-N 1 0 320.393 1.981 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]([NH+](CC)CC)C2)n1 ZINC000191830294 222109684 /nfs/dbraw/zinc/10/96/84/222109684.db2.gz MRSANEAYGGHJQR-NSHDSACASA-N 1 0 309.370 1.368 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N(C)CCCn2ccnc2C)n1 ZINC000191864067 222111324 /nfs/dbraw/zinc/11/13/24/222111324.db2.gz FPONZRNHAATEPV-UHFFFAOYSA-N 1 0 320.353 1.478 20 5 DDBDRO CC(C)(CNc1nccc(C(N)=O)c1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000291040255 222089629 /nfs/dbraw/zinc/08/96/29/222089629.db2.gz ZVWYWOHKQSFXDI-UHFFFAOYSA-N 1 0 321.381 1.623 20 5 DDBDRO O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195190702 222193192 /nfs/dbraw/zinc/19/31/92/222193192.db2.gz XAOYPCVFGWFEDS-GFCCVEGCSA-N 1 0 314.345 1.996 20 5 DDBDRO C[C@@H]1OCC[C@@H]1[N@H+](CCO)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000361588125 418687895 /nfs/dbraw/zinc/68/78/95/418687895.db2.gz XQZHCFNGGAAHAH-BBRMVZONSA-N 1 0 324.377 1.835 20 5 DDBDRO C[C@@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@@]1(C)C[NH3+] ZINC000385751646 418737183 /nfs/dbraw/zinc/73/71/83/418737183.db2.gz PABCZPKAUWAIKA-ZWNOBZJWSA-N 1 0 313.379 1.200 20 5 DDBDRO CCO[C@@H]1COCC[C@@H]1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000362009293 418738593 /nfs/dbraw/zinc/73/85/93/418738593.db2.gz APLVABVCAFOGNJ-SWLSCSKDSA-N 1 0 310.350 1.757 20 5 DDBDRO C[C@H]1C[N@H+](C)CCN1c1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000408102231 418787386 /nfs/dbraw/zinc/78/73/86/418787386.db2.gz BYOHAAPZWDSVHM-VIFPVBQESA-N 1 0 303.322 1.384 20 5 DDBDRO Cc1ccc(N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c([N+](=O)[O-])c1 ZINC000371824945 418820211 /nfs/dbraw/zinc/82/02/11/418820211.db2.gz OMPFAQCDCLVCIA-GOEBONIOSA-N 1 0 305.378 1.939 20 5 DDBDRO NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000364924586 418822836 /nfs/dbraw/zinc/82/28/36/418822836.db2.gz AXJYWWQSPNTYKW-SNPRPXQTSA-N 1 0 303.362 1.723 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1CN1CCC([NH2+]C2CCCC2)CC1 ZINC000372718178 418894807 /nfs/dbraw/zinc/89/48/07/418894807.db2.gz SUYJQFXIGLEJLP-UHFFFAOYSA-N 1 0 307.398 1.825 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](C(=O)NC)C1 ZINC000420968514 419391023 /nfs/dbraw/zinc/39/10/23/419391023.db2.gz CBAUIEUKQBPRAV-LLVKDONJSA-N 1 0 307.350 1.561 20 5 DDBDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000417942518 419405374 /nfs/dbraw/zinc/40/53/74/419405374.db2.gz OEMJOMZVJZMTSQ-AAEUAGOBSA-N 1 0 306.366 1.516 20 5 DDBDRO COC(=O)COc1ccc(C[NH2+][C@H]2C[C@@](C)(O)C2)cc1[N+](=O)[O-] ZINC000418100007 419530926 /nfs/dbraw/zinc/53/09/26/419530926.db2.gz CQTWTIMMMUGKPL-WGRBQBNCSA-N 1 0 324.333 1.150 20 5 DDBDRO COc1ccc(CN2C[C@H](C)[N@H+](CCO)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000418106336 419534301 /nfs/dbraw/zinc/53/43/01/419534301.db2.gz CDQSITYMUYCZLW-STQMWFEESA-N 1 0 323.393 1.490 20 5 DDBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000421237753 419534729 /nfs/dbraw/zinc/53/47/29/419534729.db2.gz LBQFJLADEOKKBT-ZDUSSCGKSA-N 1 0 320.349 1.086 20 5 DDBDRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000418109209 419537412 /nfs/dbraw/zinc/53/74/12/419537412.db2.gz HXOVKGSHVRNCKP-IPKOWEFYSA-N 1 0 319.405 1.995 20 5 DDBDRO C[N@H+]1C[C@H]2CN(C(=O)Cc3ccc([N+](=O)[O-])cc3F)C[C@H]2C1 ZINC000427780013 419733988 /nfs/dbraw/zinc/73/39/88/419733988.db2.gz QAOQVUQYCZQCJC-TXEJJXNPSA-N 1 0 307.325 1.296 20 5 DDBDRO Cc1nn(C)c(C(=O)NCc2ccc([C@@H](C)[NH3+])cc2)c1[N+](=O)[O-] ZINC000429500403 228824183 /nfs/dbraw/zinc/82/41/83/228824183.db2.gz YHVICHAMIZONOW-SECBINFHSA-N 1 0 317.349 1.586 20 5 DDBDRO CC[C@@H]1CN(CCNC(=O)c2cccc(C)c2[N+](=O)[O-])CCO1 ZINC000428068158 419805885 /nfs/dbraw/zinc/80/58/85/419805885.db2.gz XOYVKAYOUUMXFW-CYBMUJFWSA-N 1 0 321.377 1.744 20 5 DDBDRO C[C@@H](C[NH3+])NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000414956228 419893911 /nfs/dbraw/zinc/89/39/11/419893911.db2.gz VAWKLLCICBMOGJ-LURJTMIESA-N 1 0 304.253 1.665 20 5 DDBDRO COC(=O)c1cc(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cc([N+](=O)[O-])c1 ZINC000423599654 420094254 /nfs/dbraw/zinc/09/42/54/420094254.db2.gz XQBTZLFIVPZYQW-NWDGAFQWSA-N 1 0 321.333 1.381 20 5 DDBDRO COCC[C@]1([NH2+]Cc2ccc([N+](=O)[O-])cc2OC)CCOC1 ZINC000430240135 420094693 /nfs/dbraw/zinc/09/46/93/420094693.db2.gz LLUDMXSOAQZCHE-HNNXBMFYSA-N 1 0 310.350 1.889 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@](C)(CN)C1CC1 ZINC000430549972 420134632 /nfs/dbraw/zinc/13/46/32/420134632.db2.gz FICNBZVOWATSDY-INIZCTEOSA-N 1 0 320.393 1.949 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430553503 420135187 /nfs/dbraw/zinc/13/51/87/420135187.db2.gz TWIYHPMRLNQDJJ-STQMWFEESA-N 1 0 320.393 1.901 20 5 DDBDRO COc1ccc(NC(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)cc1[N+](=O)[O-] ZINC000415450007 420072405 /nfs/dbraw/zinc/07/24/05/420072405.db2.gz WCDYBGDKAOUZPZ-MWLCHTKSSA-N 1 0 308.338 1.804 20 5 DDBDRO COC(=O)c1cc(C(=O)N2CC[C@H]([C@H](C)[NH3+])C2)cc([N+](=O)[O-])c1 ZINC000423534937 420074561 /nfs/dbraw/zinc/07/45/61/420074561.db2.gz WTZKJVXKJPVCPJ-UWVGGRQHSA-N 1 0 321.333 1.191 20 5 DDBDRO O=C(NC[C@H]1CC[NH2+]C1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000423541812 420076999 /nfs/dbraw/zinc/07/69/99/420076999.db2.gz AZGBCJRDUOZRQW-JTQLQIEISA-N 1 0 300.318 1.482 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000415469930 420079442 /nfs/dbraw/zinc/07/94/42/420079442.db2.gz XLHARWUYXXWYRY-CMPLNLGQSA-N 1 0 320.349 1.037 20 5 DDBDRO CO[C@H](C[NH3+])CC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423717207 420141442 /nfs/dbraw/zinc/14/14/42/420141442.db2.gz ACDKRZALOQVZRB-ZDUSSCGKSA-N 1 0 307.350 1.450 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000415491812 420088822 /nfs/dbraw/zinc/08/88/22/420088822.db2.gz BNPYWPRCGGANRE-OAHLLOKOSA-N 1 0 320.349 1.821 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000423585153 420089376 /nfs/dbraw/zinc/08/93/76/420089376.db2.gz AOQIJIOZDOLELK-MNOVXSKESA-N 1 0 307.350 1.721 20 5 DDBDRO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000423836269 420216684 /nfs/dbraw/zinc/21/66/84/420216684.db2.gz FLBISQARVDTEBK-BXUZGUMPSA-N 1 0 309.753 1.864 20 5 DDBDRO C[NH2+]C[C@H]1CCN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000430930976 420210613 /nfs/dbraw/zinc/21/06/13/420210613.db2.gz BUMSEVCOLCYLGO-VXGBXAGGSA-N 1 0 306.366 1.463 20 5 DDBDRO Cc1ccc(NC(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)cc1[N+](=O)[O-] ZINC000415682489 420145979 /nfs/dbraw/zinc/14/59/79/420145979.db2.gz BGJQRVOAIYQYHG-OAHLLOKOSA-N 1 0 320.349 1.039 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000415690904 420148359 /nfs/dbraw/zinc/14/83/59/420148359.db2.gz MUKITYUIGFVTFM-HNNXBMFYSA-N 1 0 320.349 1.039 20 5 DDBDRO C[NH2+][C@@H]1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000430611918 420157484 /nfs/dbraw/zinc/15/74/84/420157484.db2.gz QCXRQNUBNXFFOF-LLVKDONJSA-N 1 0 303.322 1.439 20 5 DDBDRO CC1(C)CCC[NH2+][C@@H]1CNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000430710221 420182676 /nfs/dbraw/zinc/18/26/76/420182676.db2.gz RMEDMOYMIUWPDN-CQSZACIVSA-N 1 0 321.377 1.868 20 5 DDBDRO C[C@H]1CN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC[C@H]1[NH3+] ZINC000430960909 420223308 /nfs/dbraw/zinc/22/33/08/420223308.db2.gz AMWQVFKBKOPXOY-GXFFZTMASA-N 1 0 317.349 1.814 20 5 DDBDRO COc1ccc(OCCN[C@@H]2[C@@H](C)CC[NH2+][C@H]2C)c([N+](=O)[O-])c1 ZINC000420364685 420237699 /nfs/dbraw/zinc/23/76/99/420237699.db2.gz KLBYWHVIRVIXEP-MQIPJXDCSA-N 1 0 323.393 1.958 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N(C)C(C)(C)C[NH+]2CCCC2)n1 ZINC000416094808 420247661 /nfs/dbraw/zinc/24/76/61/420247661.db2.gz BDMYLWAIXMIVBR-UHFFFAOYSA-N 1 0 323.397 1.758 20 5 DDBDRO CCN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1CCC[NH2+]CC1 ZINC000435626327 420269360 /nfs/dbraw/zinc/26/93/60/420269360.db2.gz KNHWYOIGSTYVGE-CQSZACIVSA-N 1 0 320.393 1.658 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NCC[C@H](C)[NH3+])c1 ZINC000420413582 420270127 /nfs/dbraw/zinc/27/01/27/420270127.db2.gz FHUFSGLIDRIENN-VIFPVBQESA-N 1 0 301.368 1.227 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2C[C@H]([NH3+])[C@@H](C)C2)c1 ZINC000420437390 420285903 /nfs/dbraw/zinc/28/59/03/420285903.db2.gz PVXLQDLKCGVIOA-ONGXEEELSA-N 1 0 313.379 1.179 20 5 DDBDRO CNC(=O)c1ccc(N(C)C[C@H]2CCC[N@@H+]2C)c([N+](=O)[O-])c1 ZINC000420629993 420334536 /nfs/dbraw/zinc/33/45/36/420334536.db2.gz DATJHWNBJKYMSK-GFCCVEGCSA-N 1 0 306.366 1.485 20 5 DDBDRO O=C(c1n[nH]cc1[N+](=O)[O-])N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000423989046 420292672 /nfs/dbraw/zinc/29/26/72/420292672.db2.gz BDUOHIFOPKFMKP-LLVKDONJSA-N 1 0 301.306 1.105 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000416493202 420392878 /nfs/dbraw/zinc/39/28/78/420392878.db2.gz CXVPPMXMZNOPII-LLVKDONJSA-N 1 0 313.379 1.133 20 5 DDBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000437588124 420412061 /nfs/dbraw/zinc/41/20/61/420412061.db2.gz HZYYVUBIDIQNLH-DDTOSNHZSA-N 1 0 322.365 1.247 20 5 DDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])NCC[C@H]1CCC[NH2+]1 ZINC000417756694 420469614 /nfs/dbraw/zinc/46/96/14/420469614.db2.gz ABPKXSXPMXFEQV-CYBMUJFWSA-N 1 0 306.366 1.579 20 5 DDBDRO [NH3+][C@@H](CNC(=O)NCCCCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000417711990 420457797 /nfs/dbraw/zinc/45/77/97/420457797.db2.gz FIZDFIZSWNLKBC-HNNXBMFYSA-N 1 0 320.393 1.954 20 5 DDBDRO C[NH+](C)CCOCCNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000492370143 420536918 /nfs/dbraw/zinc/53/69/18/420536918.db2.gz QQGDJNALSCHOAR-VMPITWQZSA-N 1 0 307.350 1.302 20 5 DDBDRO C[C@H]1[NH2+]CCN(C(=O)NCCc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000417766917 420473208 /nfs/dbraw/zinc/47/32/08/420473208.db2.gz PTUUTVIRGRDDJW-NEPJUHHUSA-N 1 0 306.366 1.529 20 5 DDBDRO Cc1nn(C)c(C(=O)NCC[N@@H+]2CCCC2(C)C)c1[N+](=O)[O-] ZINC000457070360 420601825 /nfs/dbraw/zinc/60/18/25/420601825.db2.gz GOGRTRSTWNPANE-UHFFFAOYSA-N 1 0 309.370 1.241 20 5 DDBDRO C[C@H]1[NH2+]CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)[C@@H]1C ZINC000440801868 420608608 /nfs/dbraw/zinc/60/86/08/420608608.db2.gz BKSMJPHJOMHFBB-GHMZBOCLSA-N 1 0 313.379 1.107 20 5 DDBDRO Cc1ccc(S(=O)(=O)N[C@H]2C[NH2+]CC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000440833256 420611302 /nfs/dbraw/zinc/61/13/02/420611302.db2.gz NWEYRIULSOJAML-QWRGUYRKSA-N 1 0 313.379 1.180 20 5 DDBDRO CC(C)[N@@H+]1CC[C@H](N(C)c2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000450957339 420569982 /nfs/dbraw/zinc/56/99/82/420569982.db2.gz UESGXLNEGPUQLI-JTQLQIEISA-N 1 0 307.354 1.008 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2C[C@@H](C)[C@H]([NH3+])C2)c1C ZINC000447256536 420767837 /nfs/dbraw/zinc/76/78/37/420767837.db2.gz NURDHIJMOLGABD-MWLCHTKSSA-N 1 0 313.379 1.179 20 5 DDBDRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)/C=C\c3ccc(F)cc3[N+](=O)[O-])C[C@H]12 ZINC000493405314 420841007 /nfs/dbraw/zinc/84/10/07/420841007.db2.gz UIUPXCCWUPJWHH-UOQRLJDBSA-N 1 0 319.336 1.943 20 5 DDBDRO C[C@H]([NH2+][C@@H](CO)[C@H]1CCCO1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000447917359 420817738 /nfs/dbraw/zinc/81/77/38/420817738.db2.gz QVUFAMOQWOPFKH-VHRBIJSZSA-N 1 0 323.349 1.051 20 5 DDBDRO CNc1nc(C(=O)N[C@@H](C)C[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000454694570 420910352 /nfs/dbraw/zinc/91/03/52/420910352.db2.gz VCDYXCBQRYYANK-NSHDSACASA-N 1 0 321.381 1.636 20 5 DDBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2C[C@@H](O)[C@H](CO)C2)o1 ZINC000459712828 420854978 /nfs/dbraw/zinc/85/49/78/420854978.db2.gz RTXHBDLSVLIVMA-XHDPSFHLSA-N 1 0 318.329 1.640 20 5 DDBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@](O)(CO)C1 ZINC000459727664 420858391 /nfs/dbraw/zinc/85/83/91/420858391.db2.gz RADGWICRIFVNAM-WDBUWWRISA-N 1 0 306.362 1.817 20 5 DDBDRO C[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccn(C)n1 ZINC000459784914 420871665 /nfs/dbraw/zinc/87/16/65/420871665.db2.gz JTSPSTVCJFMJIY-RYUDHWBXSA-N 1 0 320.349 1.419 20 5 DDBDRO C[C@H](CN1CCOCC1)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449080992 420944503 /nfs/dbraw/zinc/94/45/03/420944503.db2.gz AVYIYPGAKZDXJQ-UONOGXRCSA-N 1 0 307.394 1.836 20 5 DDBDRO CCCc1n[nH]c(C(=O)NC[C@H]2CCC[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000449649991 421046389 /nfs/dbraw/zinc/04/63/89/421046389.db2.gz SVOBCYAZAWZXPY-UWVGGRQHSA-N 1 0 309.370 1.518 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC[C@@](C)(O)COC ZINC000449384443 421002964 /nfs/dbraw/zinc/00/29/64/421002964.db2.gz NNXKDBIAJOOQSD-OAHLLOKOSA-N 1 0 312.366 1.871 20 5 DDBDRO O=C(CCc1cccc([N+](=O)[O-])c1)NC[C@H]1C[NH2+]CCCO1 ZINC000449706571 421065339 /nfs/dbraw/zinc/06/53/39/421065339.db2.gz BFKRAUWFKRUDAH-CQSZACIVSA-N 1 0 307.350 1.022 20 5 DDBDRO [NH3+]CC[C@@H](NC(=O)COc1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000449714250 421066410 /nfs/dbraw/zinc/06/64/10/421066410.db2.gz BTSFGIXWSGVHBR-SNVBAGLBSA-N 1 0 321.255 1.370 20 5 DDBDRO CC1(C)[NH2+]CC[C@@H]1NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000449749699 421075136 /nfs/dbraw/zinc/07/51/36/421075136.db2.gz GSJFRTDPOGCROD-NSHDSACASA-N 1 0 303.322 1.341 20 5 DDBDRO CC(C)[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2N)CC[N@@H+]1C ZINC000489396196 421152471 /nfs/dbraw/zinc/15/24/71/421152471.db2.gz MJYDABSNKUOQSS-CYBMUJFWSA-N 1 0 306.366 1.589 20 5 DDBDRO CC(=O)[C@@](C)(O)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000450460519 421200546 /nfs/dbraw/zinc/20/05/46/421200546.db2.gz ONBXNXHGPQOAAR-INIZCTEOSA-N 1 0 322.361 1.778 20 5 DDBDRO COc1ccc(CC(=O)N(C)[C@@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000525524752 421292671 /nfs/dbraw/zinc/29/26/71/421292671.db2.gz JHXJAXUSJHUEMV-CYBMUJFWSA-N 1 0 321.377 1.699 20 5 DDBDRO C[C@]1(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCOC1 ZINC000514668280 421444626 /nfs/dbraw/zinc/44/46/26/421444626.db2.gz CPYCMJYQEWYCRB-UKRRQHHQSA-N 1 0 310.350 1.351 20 5 DDBDRO C[NH+](C)[C@@H](CNC(=O)c1c[nH]nc1[N+](=O)[O-])c1ccsc1 ZINC000549159281 421495966 /nfs/dbraw/zinc/49/59/66/421495966.db2.gz FRZUUAJVVOEIPY-JTQLQIEISA-N 1 0 309.351 1.412 20 5 DDBDRO CNc1ccc(C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000531482988 421635205 /nfs/dbraw/zinc/63/52/05/421635205.db2.gz JXPUARZCZCYKNO-CMPLNLGQSA-N 1 0 318.377 1.992 20 5 DDBDRO CNC(=O)c1ccc(N2CC(n3ccnc3)C2)c([N+](=O)[O-])c1 ZINC000532089609 421647942 /nfs/dbraw/zinc/64/79/42/421647942.db2.gz JALRITOSFYNQAU-UHFFFAOYSA-N 1 0 301.306 1.212 20 5 DDBDRO O=C(NCCNc1cc[nH+]cc1)NCc1cccc([N+](=O)[O-])c1 ZINC000534526858 421692643 /nfs/dbraw/zinc/69/26/43/421692643.db2.gz LXTHEJJHNMZBBY-UHFFFAOYSA-N 1 0 315.333 1.323 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CCC3(O)CCC3)CC2)cn1 ZINC000571525372 421724160 /nfs/dbraw/zinc/72/41/60/421724160.db2.gz OKDIGKJRXXBWJZ-UHFFFAOYSA-N 1 0 306.366 1.417 20 5 DDBDRO CC(=O)N1CC([NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000572060927 421762831 /nfs/dbraw/zinc/76/28/31/421762831.db2.gz SWNKARLFEVDJDJ-JTQLQIEISA-N 1 0 320.349 1.132 20 5 DDBDRO COc1ccc([C@H](C[NH3+])Cn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000574635786 422149612 /nfs/dbraw/zinc/14/96/12/422149612.db2.gz VBLVMTACTJZHDH-GFCCVEGCSA-N 1 0 303.318 1.508 20 5 DDBDRO CC[C@H]1CN(c2ncc([N+](=O)[O-])cc2F)CCN1C[C@@H](C)O ZINC000574857980 422196275 /nfs/dbraw/zinc/19/62/75/422196275.db2.gz OSHACRCQLAQGLC-MNOVXSKESA-N 1 0 312.345 1.410 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000575138074 422269958 /nfs/dbraw/zinc/26/99/58/422269958.db2.gz OYDUCWXPACMXEN-LBPRGKRZSA-N 1 0 309.370 1.019 20 5 DDBDRO Cc1cc(S(=O)(=O)N2CCC[NH2+]CC2)c(C)cc1[N+](=O)[O-] ZINC000575332278 422292329 /nfs/dbraw/zinc/29/23/29/422292329.db2.gz RYZBZZLDZJZLJJ-UHFFFAOYSA-N 1 0 313.379 1.196 20 5 DDBDRO C[NH+]1CCC(CNc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CC1 ZINC000587749327 422313692 /nfs/dbraw/zinc/31/36/92/422313692.db2.gz CHCJSSWMMGPOCI-UHFFFAOYSA-N 1 0 317.349 1.997 20 5 DDBDRO CCC(C)(C)[NH+]1CCN(C(=O)c2ccnc(N)c2[N+](=O)[O-])CC1 ZINC000594390354 422347921 /nfs/dbraw/zinc/34/79/21/422347921.db2.gz VRPPSYYJWJPWBK-UHFFFAOYSA-N 1 0 321.381 1.518 20 5 DDBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2ccnc(N)c2[N+](=O)[O-])C1 ZINC000576835660 422378054 /nfs/dbraw/zinc/37/80/54/422378054.db2.gz JEEZVFAOEZBGDZ-LLVKDONJSA-N 1 0 321.381 1.376 20 5 DDBDRO CSC[C@H](C)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000578499755 422583982 /nfs/dbraw/zinc/58/39/82/422583982.db2.gz YXYSPUWNPBWRPB-JTQLQIEISA-N 1 0 318.420 1.710 20 5 DDBDRO CCn1nc(C)c([N+](=O)[O-])c1N(C)C[C@@H]1C[C@H](OC)C[N@@H+]1C ZINC000578663572 422621695 /nfs/dbraw/zinc/62/16/95/422621695.db2.gz QJZQSUSWAPVVAM-RYUDHWBXSA-N 1 0 311.386 1.275 20 5 DDBDRO C[NH+](C)Cc1cccc(CNC(=O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000033089625 263253040 /nfs/dbraw/zinc/25/30/40/263253040.db2.gz LNGSKHYTZYPMJL-UHFFFAOYSA-N 1 0 317.349 1.169 20 5 DDBDRO Nc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000323185156 271030883 /nfs/dbraw/zinc/03/08/83/271030883.db2.gz AXUAVHNOPDCALK-LLVKDONJSA-N 1 0 319.365 1.272 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1Sc1nnc([C@H]2CCC[NH2+]C2)n1C ZINC000344435110 272025546 /nfs/dbraw/zinc/02/55/46/272025546.db2.gz NXVHGVAPUMJBNX-QMMMGPOBSA-N 1 0 323.382 1.075 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000344593445 272066455 /nfs/dbraw/zinc/06/64/55/272066455.db2.gz CCUIQKISQUWMBO-GFCCVEGCSA-N 1 0 323.397 1.336 20 5 DDBDRO COc1cc(CN2C[C@H](C)[NH2+][C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000347207136 272629351 /nfs/dbraw/zinc/62/93/51/272629351.db2.gz MJRGBXCTGOQPDK-QWRGUYRKSA-N 1 0 309.366 1.794 20 5 DDBDRO CCOCC[C@@H](O)C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000277612932 273701538 /nfs/dbraw/zinc/70/15/38/273701538.db2.gz YDRQNADTABZAQJ-CQSZACIVSA-N 1 0 323.393 1.504 20 5 DDBDRO C[C@@H](O)C[NH+]1CCN(c2ccc([N+](=O)[O-])c3ncccc23)CC1 ZINC000413242603 274271311 /nfs/dbraw/zinc/27/13/11/274271311.db2.gz HSNXAXUARMHNRE-GFCCVEGCSA-N 1 0 316.361 1.646 20 5 DDBDRO O=[N+]([O-])c1cc2c(ncnc2N2CC[C@H]3C[NH2+]C[C@@H]3C2)s1 ZINC000261628367 275034127 /nfs/dbraw/zinc/03/41/27/275034127.db2.gz HJQZCTYQSFVECD-DTWKUNHWSA-N 1 0 305.363 1.645 20 5 DDBDRO O=[N+]([O-])c1cccc(F)c1CN1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420348990 275039478 /nfs/dbraw/zinc/03/94/78/275039478.db2.gz NMAKDKWFYSAILZ-LBPRGKRZSA-N 1 0 308.357 1.213 20 5 DDBDRO CC(C)[C@H](C[NH3+])C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000433148027 276016331 /nfs/dbraw/zinc/01/63/31/276016331.db2.gz PVVIJOMUAWXSRG-YPMHNXCESA-N 1 0 321.381 1.234 20 5 DDBDRO COC(=O)[C@](C)(O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000429695775 277142474 /nfs/dbraw/zinc/14/24/74/277142474.db2.gz IGIJXLLQGVAEKF-OAHLLOKOSA-N 1 0 308.334 1.483 20 5 DDBDRO C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000285380469 277152724 /nfs/dbraw/zinc/15/27/24/277152724.db2.gz WLXVHSFMWGBZFQ-KBPBESRZSA-N 1 0 305.334 1.140 20 5 DDBDRO C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1c(N)cccc1[N+](=O)[O-])C2 ZINC000180835443 277215210 /nfs/dbraw/zinc/21/52/10/277215210.db2.gz BUHVYSOMIGZUJH-WDEREUQCSA-N 1 0 304.350 1.486 20 5 DDBDRO C[C@@H]1C[C@H](C)N(C(=O)CNc2ccccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000424079095 278005116 /nfs/dbraw/zinc/00/51/16/278005116.db2.gz UBWHHYFVBNAEML-AGIUHOORSA-N 1 0 320.393 1.839 20 5 DDBDRO CS[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])n2C)C[C@@H]1[NH+](C)C ZINC000332718673 278165600 /nfs/dbraw/zinc/16/56/00/278165600.db2.gz QQVVTAWONSKYRB-QWRGUYRKSA-N 1 0 312.395 1.051 20 5 DDBDRO C[C@@H]1[C@H](C)[NH2+]CCN1S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000262784097 279105510 /nfs/dbraw/zinc/10/55/10/279105510.db2.gz PSIXVCLJSBNUDH-DTWKUNHWSA-N 1 0 317.342 1.105 20 5 DDBDRO C[C@]1([NH3+])CCCC[C@H]1C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000423820636 280165936 /nfs/dbraw/zinc/16/59/36/280165936.db2.gz CGBSYTURPKYOQP-BBRMVZONSA-N 1 0 318.377 1.782 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(C)[C@@H]2CC[NH2+]C2)c1C ZINC000071310226 280657052 /nfs/dbraw/zinc/65/70/52/280657052.db2.gz WLEXBKYVHTZGBU-LLVKDONJSA-N 1 0 313.379 1.194 20 5 DDBDRO CC1(C)C[C@H]([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)C(C)(C)O1 ZINC000119824585 281357504 /nfs/dbraw/zinc/35/75/04/281357504.db2.gz HXLIYHBUHABDPO-LBPRGKRZSA-N 1 0 309.366 1.692 20 5 DDBDRO CC(C)[NH+]1CCC(N(C)C(=O)c2cc([N+](=O)[O-])nn2C)CC1 ZINC000356461374 298797227 /nfs/dbraw/zinc/79/72/27/298797227.db2.gz OXIFCXQGYGZSCD-UHFFFAOYSA-N 1 0 309.370 1.273 20 5 DDBDRO CCN(CCC[NH+](CC)CC)C(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000357103191 298962873 /nfs/dbraw/zinc/96/28/73/298962873.db2.gz UORGFHSECZXHMC-UHFFFAOYSA-N 1 0 324.381 1.889 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@H](C2CCOCC2)C1 ZINC000362471778 300072104 /nfs/dbraw/zinc/07/21/04/300072104.db2.gz SSNJAWXJCZQIKV-AWEZNQCLSA-N 1 0 321.377 1.505 20 5 DDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000363265558 300242090 /nfs/dbraw/zinc/24/20/90/300242090.db2.gz FYFAKBOAEKPFSW-GJZGRUSLSA-N 1 0 319.361 1.117 20 5 DDBDRO C[NH+]1CCC(Oc2cc(NC(=O)[C@H]3CC3[N+](=O)[O-])ccn2)CC1 ZINC000364174339 300353598 /nfs/dbraw/zinc/35/35/98/300353598.db2.gz UXVIKTFDKCUKBA-STQMWFEESA-N 1 0 320.349 1.158 20 5 DDBDRO Nc1c(C(=O)N[C@@H]2CC23CC[NH2+]CC3)cc(F)cc1[N+](=O)[O-] ZINC000366565716 300717419 /nfs/dbraw/zinc/71/74/19/300717419.db2.gz JKRIACTXNQJRMM-LLVKDONJSA-N 1 0 308.313 1.188 20 5 DDBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)COc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000368587930 301059396 /nfs/dbraw/zinc/05/93/96/301059396.db2.gz BUQQVMYWXKYPHJ-GXTWGEPZSA-N 1 0 319.361 1.526 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)Cc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000368596674 301061132 /nfs/dbraw/zinc/06/11/32/301061132.db2.gz VVHQXTMTTFQXKN-IUODEOHRSA-N 1 0 303.362 1.690 20 5 DDBDRO NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000368964177 301111380 /nfs/dbraw/zinc/11/13/80/301111380.db2.gz NDCQJJJAVVZLIA-ZOWXZIJZSA-N 1 0 319.361 1.559 20 5 DDBDRO CN1CC[NH+](C[C@@H]2CCCN(c3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000369028594 301121880 /nfs/dbraw/zinc/12/18/80/301121880.db2.gz XHQWPJFHGWCGLR-AWEZNQCLSA-N 1 0 319.409 1.454 20 5 DDBDRO Cc1c(C(=O)N[C@@H]2CCC[NH2+]CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000369936463 301243578 /nfs/dbraw/zinc/24/35/78/301243578.db2.gz YVQPCEKTJVZVMR-SNVBAGLBSA-N 1 0 322.321 1.683 20 5 DDBDRO Cc1cc(C(=O)NC[C@]2(O)C[NH+]3CCC2CC3)cc([N+](=O)[O-])c1 ZINC000576066994 304749702 /nfs/dbraw/zinc/74/97/02/304749702.db2.gz BIOOXZSSCNXPKP-INIZCTEOSA-N 1 0 319.361 1.090 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000235716117 302050454 /nfs/dbraw/zinc/05/04/54/302050454.db2.gz LYXHXMCKXNASLG-QWRGUYRKSA-N 1 0 313.379 1.322 20 5 DDBDRO O=[N+]([O-])c1ccn(C2CC[NH+](CCCn3ccnc3)CC2)n1 ZINC000376479346 302082569 /nfs/dbraw/zinc/08/25/69/302082569.db2.gz SUAPWYIHINGXDQ-UHFFFAOYSA-N 1 0 304.354 1.715 20 5 DDBDRO Cc1cc(C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)c(N)c([N+](=O)[O-])c1 ZINC000377536084 302190178 /nfs/dbraw/zinc/19/01/78/302190178.db2.gz PXHSYLJUSCBWEN-MRXNPFEDSA-N 1 0 318.377 1.701 20 5 DDBDRO CO[C@@H]1C[C@H]([NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1(C)C ZINC000451496040 302399981 /nfs/dbraw/zinc/39/99/81/302399981.db2.gz LOXNUFSAGVQUIQ-QWHCGFSZSA-N 1 0 307.350 1.597 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@](C)(C[NH3+])C2CC2)c1 ZINC000520796218 302867475 /nfs/dbraw/zinc/86/74/75/302867475.db2.gz BCNYTXHHCITWRC-OAHLLOKOSA-N 1 0 307.350 1.851 20 5 DDBDRO C[N@@H+]1CC[C@H](C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000537598612 303375197 /nfs/dbraw/zinc/37/51/97/303375197.db2.gz OKDKOLQQSGPOCL-NSHDSACASA-N 1 0 311.769 1.859 20 5 DDBDRO O=C(NCC[NH+]1CCCC1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000357682584 306906207 /nfs/dbraw/zinc/90/62/07/306906207.db2.gz QMIDTSOOBINMBV-UHFFFAOYSA-N 1 0 302.334 1.902 20 5 DDBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)CNc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000368614986 307106462 /nfs/dbraw/zinc/10/64/62/307106462.db2.gz SOIZADIBGDVTTP-RWMBFGLXSA-N 1 0 318.377 1.593 20 5 DDBDRO Nc1c(C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000371854996 307159030 /nfs/dbraw/zinc/15/90/30/307159030.db2.gz YNOWGOPPISNCLE-GFCCVEGCSA-N 1 0 318.377 1.877 20 5 DDBDRO O=[N+]([O-])c1cnn([C@@H]2CCC[N@H+](CCO[C@@H]3CCCCO3)C2)c1 ZINC000373107709 307178914 /nfs/dbraw/zinc/17/89/14/307178914.db2.gz WBPSBGHYKJVNMN-UKRRQHHQSA-N 1 0 324.381 1.971 20 5 DDBDRO Cn1ccc(N2CC[C@@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2=O)n1 ZINC000375953470 307235551 /nfs/dbraw/zinc/23/55/51/307235551.db2.gz HTMPMUAOOPGMMJ-CYBMUJFWSA-N 1 0 315.333 1.223 20 5 DDBDRO COCC[NH2+]C1CCN(C(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000565664073 308036447 /nfs/dbraw/zinc/03/64/47/308036447.db2.gz KAKLZQZQRFNSBD-UHFFFAOYSA-N 1 0 321.377 1.744 20 5 DDBDRO Cc1nn(C)c(C(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC000567828344 308096919 /nfs/dbraw/zinc/09/69/19/308096919.db2.gz LOBZUHOYQDBIGL-NEPJUHHUSA-N 1 0 321.381 1.098 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@H](C)C[C@H](C)[NH3+])c1 ZINC000569723725 308149000 /nfs/dbraw/zinc/14/90/00/308149000.db2.gz QWFQIFUEFWUBMT-VHSXEESVSA-N 1 0 315.395 1.616 20 5 DDBDRO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C[C@H](C)[NH2+]1 ZINC000573594809 308246221 /nfs/dbraw/zinc/24/62/21/308246221.db2.gz GMLKCYJOQGMSCP-AOOOYVTPSA-N 1 0 321.333 1.188 20 5 DDBDRO COCC[N@H+](C)C[C@@H](O)CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000574168847 308263950 /nfs/dbraw/zinc/26/39/50/308263950.db2.gz KUTFCXRCVTYYPU-DOMZBBRYSA-N 1 0 311.382 1.185 20 5 DDBDRO C[C@H](C(=O)NC[C@@H]1C[N@H+](C)CCN1C)c1cccc([N+](=O)[O-])c1 ZINC000576417991 308313294 /nfs/dbraw/zinc/31/32/94/308313294.db2.gz JABILEHYQLUWAJ-SWLSCSKDSA-N 1 0 320.393 1.060 20 5 DDBDRO CC[N@H+](C)C[C@@H](O)Cn1cnc2cc3ccccc3cc2c1=O ZINC000582616703 337115295 /nfs/dbraw/zinc/11/52/95/337115295.db2.gz PHIWMXRPJOZIRL-OAHLLOKOSA-N 1 0 311.385 1.862 20 5 DDBDRO [NH3+]C[C@@H]1CCCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000583145247 337245781 /nfs/dbraw/zinc/24/57/81/337245781.db2.gz DYLGZBFCLWNSHB-SWLSCSKDSA-N 1 0 318.377 1.371 20 5 DDBDRO COc1cc(C(=O)N[C@H]2C[NH+]3CCC2CC3)cc([N+](=O)[O-])c1C ZINC001120774159 782133053 /nfs/dbraw/zinc/13/30/53/782133053.db2.gz KLFIIUKEZPKULG-ZDUSSCGKSA-N 1 0 319.361 1.736 20 5 DDBDRO Cc1nn(C)c(N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1[N+](=O)[O-] ZINC000361680001 484522508 /nfs/dbraw/zinc/52/25/08/484522508.db2.gz ASONWBOSDWKQJU-GFCCVEGCSA-N 1 0 322.413 1.217 20 5 DDBDRO COc1cc(C[NH2+][C@H]2CCCC[C@@H]2C(N)=O)ccc1[N+](=O)[O-] ZINC000445765506 533903263 /nfs/dbraw/zinc/90/32/63/533903263.db2.gz MAFUONCQOBJYKD-RYUDHWBXSA-N 1 0 307.350 1.737 20 5 DDBDRO C[C@@H]1C[C@H](NC(=O)NCCc2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000417949084 533927611 /nfs/dbraw/zinc/92/76/11/533927611.db2.gz UUWWHISDHBOVIW-DGCLKSJQSA-N 1 0 306.366 1.577 20 5 DDBDRO C[C@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cn[nH]c1 ZINC000494703998 534005256 /nfs/dbraw/zinc/00/52/56/534005256.db2.gz PIWIIWVIEYRWNK-HZMBPMFUSA-N 1 0 315.333 1.774 20 5 DDBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000417233859 534461656 /nfs/dbraw/zinc/46/16/56/534461656.db2.gz OSQBGTLJKAFGKL-OAHLLOKOSA-N 1 0 318.377 1.673 20 5 DDBDRO CC(C)(C)OC(=O)[C@@]1(C)CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000459581335 526515117 /nfs/dbraw/zinc/51/51/17/526515117.db2.gz KXWRZPFJMFAOIP-HNNXBMFYSA-N 1 0 324.381 1.845 20 5 DDBDRO O=C(COc1ccccc1[N+](=O)[O-])N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160378271 526996728 /nfs/dbraw/zinc/99/67/28/526996728.db2.gz MKZGMXHBNKGUQU-TXEJJXNPSA-N 1 0 305.334 1.327 20 5 DDBDRO CC[N@H+](C)CCNC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000294915959 527798227 /nfs/dbraw/zinc/79/82/27/527798227.db2.gz JNHCNQHXAQEUPR-UHFFFAOYSA-N 1 0 317.349 1.666 20 5 DDBDRO CC[NH2+]CCNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000418323020 528306260 /nfs/dbraw/zinc/30/62/60/528306260.db2.gz GSTKVVPMPKJFQU-UHFFFAOYSA-N 1 0 306.366 1.878 20 5 DDBDRO CCCc1n[nH]c(C(=O)NCCC[C@@H]2CCC[NH2+]2)c1[N+](=O)[O-] ZINC000294818453 528547060 /nfs/dbraw/zinc/54/70/60/528547060.db2.gz KFKIGUXRABMNFK-JTQLQIEISA-N 1 0 309.370 1.532 20 5 DDBDRO CCC(CC)(C[NH3+])C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000423822708 528650087 /nfs/dbraw/zinc/65/00/87/528650087.db2.gz GPUPMRCRCWAOKR-UHFFFAOYSA-N 1 0 306.366 1.640 20 5 DDBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)[C@@H](C)C[N@@H+]1C ZINC000824992263 608554825 /nfs/dbraw/zinc/55/48/25/608554825.db2.gz LDGWTFLUANGXPZ-ZJUUUORDSA-N 1 0 317.353 1.304 20 5 DDBDRO O=[N+]([O-])c1cnn(CN2CCC[N@H+](Cc3ccccc3)CC2)c1 ZINC000075581630 696422047 /nfs/dbraw/zinc/42/20/47/696422047.db2.gz OWXTYQQIIYLHTF-UHFFFAOYSA-N 1 0 315.377 1.957 20 5 DDBDRO C[NH+](C)[C@H]1CCCN(Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000152334137 696898047 /nfs/dbraw/zinc/89/80/47/696898047.db2.gz HTEYQQOUEOOATJ-AWEZNQCLSA-N 1 0 303.366 1.928 20 5 DDBDRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])C1)C(F)F ZINC000982965832 697196258 /nfs/dbraw/zinc/19/62/58/697196258.db2.gz XTWPMOOVDOPJBS-HOMQSWHASA-N 1 0 313.304 1.844 20 5 DDBDRO CC[NH+](CC)CCOC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000772244145 697614792 /nfs/dbraw/zinc/61/47/92/697614792.db2.gz YZPNFCWRCGUHAZ-UHFFFAOYSA-N 1 0 310.306 1.822 20 5 DDBDRO COCCOC[C@H]1CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776590324 698122948 /nfs/dbraw/zinc/12/29/48/698122948.db2.gz ZNRKORDBTXXAMA-BBRMVZONSA-N 1 0 324.377 1.613 20 5 DDBDRO O=C1CCCN1[C@@H]1CC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776596654 698124817 /nfs/dbraw/zinc/12/48/17/698124817.db2.gz HJOGIWSAIQDWNO-CABCVRRESA-N 1 0 319.361 1.325 20 5 DDBDRO CCCc1[nH]nc(C(=O)OCCC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000800224182 700205703 /nfs/dbraw/zinc/20/57/03/700205703.db2.gz LXOHXTXQGLMUCW-UHFFFAOYSA-N 1 0 310.354 1.913 20 5 DDBDRO CN(C)C(=O)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000777571124 698203546 /nfs/dbraw/zinc/20/35/46/698203546.db2.gz RODUSUNBKKMWDU-UHFFFAOYSA-N 1 0 306.366 1.241 20 5 DDBDRO CC(C)N1CCO[C@@H](C(=[NH2+])NOCc2cccc([N+](=O)[O-])c2)C1 ZINC000779648750 698448155 /nfs/dbraw/zinc/44/81/55/698448155.db2.gz GGICMERNCUHXLV-CQSZACIVSA-N 1 0 322.365 1.702 20 5 DDBDRO CC1(C)CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1CCO ZINC000781960991 698666472 /nfs/dbraw/zinc/66/64/72/698666472.db2.gz PKLFSXRWKGWKOU-HNNXBMFYSA-N 1 0 323.393 1.017 20 5 DDBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=S)NCC[NH+](C)C ZINC000800829247 700247377 /nfs/dbraw/zinc/24/73/77/700247377.db2.gz YUUHVJMWSQOGLH-UHFFFAOYSA-N 1 0 310.423 1.505 20 5 DDBDRO O=C(CCN1CC[C@@]2(CCC[NH2+]2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000420395373 699138875 /nfs/dbraw/zinc/13/88/75/699138875.db2.gz BQXHKVFTQLOJIF-INIZCTEOSA-N 1 0 318.377 1.751 20 5 DDBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])ccc2N)C[C@H]1C ZINC000787187631 699195033 /nfs/dbraw/zinc/19/50/33/699195033.db2.gz TUFJOXFXHPPYAT-GHMZBOCLSA-N 1 0 306.366 1.732 20 5 DDBDRO O=[N+]([O-])c1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)S3(=O)=O)cs1 ZINC000724315344 699326537 /nfs/dbraw/zinc/32/65/37/699326537.db2.gz WTGUCFSAWPPBFJ-FGWVZKOKSA-N 1 0 316.404 1.854 20 5 DDBDRO CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)CC(=O)NC ZINC000735869543 699707514 /nfs/dbraw/zinc/70/75/14/699707514.db2.gz IVYNYXQAVMVXTH-UHFFFAOYSA-N 1 0 322.365 1.300 20 5 DDBDRO CN(CCC[N@H+](C)Cc1ccco1)Cn1nccc1[N+](=O)[O-] ZINC000795751878 699889323 /nfs/dbraw/zinc/88/93/23/699889323.db2.gz KZSXRIGOVRGCCM-UHFFFAOYSA-N 1 0 307.354 1.796 20 5 DDBDRO C[NH+](C)C[C@@](C)(O)CNc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000751963332 700331050 /nfs/dbraw/zinc/33/10/50/700331050.db2.gz LRYVGGPKSFVSJN-ZDUSSCGKSA-N 1 0 310.379 1.929 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@H]3COCCO3)CC2)cc1 ZINC000765253081 701004472 /nfs/dbraw/zinc/00/44/72/701004472.db2.gz XSDPCJKXBLHMCO-INIZCTEOSA-N 1 0 321.377 1.569 20 5 DDBDRO CNC(=O)CCC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000765402634 701009916 /nfs/dbraw/zinc/00/99/16/701009916.db2.gz DNMFKKPRPXOAPW-UHFFFAOYSA-N 1 0 320.393 1.679 20 5 DDBDRO Cn1ccnc1[C@H]1CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000767116956 701085075 /nfs/dbraw/zinc/08/50/75/701085075.db2.gz OSEKGCIFCAJLBZ-ZFWWWQNUSA-N 1 0 316.361 1.851 20 5 DDBDRO C[C@H](C[S@](C)=O)N(C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000767845769 701140621 /nfs/dbraw/zinc/14/06/21/701140621.db2.gz YKKIIYRLIWBMAT-FBWDIHGXSA-N 1 0 300.380 1.327 20 5 DDBDRO COCCC[N@H+](C)CCNc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000804504736 701196893 /nfs/dbraw/zinc/19/68/93/701196893.db2.gz RPMVACPYSIVAOB-UHFFFAOYSA-N 1 0 312.326 1.883 20 5 DDBDRO Cc1ccc(CNC(=O)[C@H]2C[NH2+]CCC2(F)F)cc1[N+](=O)[O-] ZINC000867996230 701879990 /nfs/dbraw/zinc/87/99/90/701879990.db2.gz UYAGSEZIRQGOGZ-LLVKDONJSA-N 1 0 313.304 1.764 20 5 DDBDRO COC(=O)c1cnc(N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)c([N+](=O)[O-])c1 ZINC000866206649 706648579 /nfs/dbraw/zinc/64/85/79/706648579.db2.gz FDJOIRCKPAVCPR-PWSUYJOCSA-N 1 0 320.349 1.307 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21 ZINC000816953654 702237915 /nfs/dbraw/zinc/23/79/15/702237915.db2.gz LOOSPBQXZXQKGV-ABAIWWIYSA-N 1 0 318.377 1.437 20 5 DDBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1CCCCNC1=O ZINC000866230695 706655499 /nfs/dbraw/zinc/65/54/99/706655499.db2.gz ZMPDLAOYOJLEQI-MFKMUULPSA-N 1 0 309.341 1.923 20 5 DDBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)C[C@H](O)CO ZINC000817417830 702376514 /nfs/dbraw/zinc/37/65/14/702376514.db2.gz RQANTAJKHDDSQN-NSHDSACASA-N 1 0 302.758 1.812 20 5 DDBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H]1COCCN1C ZINC000866398382 706689371 /nfs/dbraw/zinc/68/93/71/706689371.db2.gz ODOVGCXHSYRORB-FZMZJTMJSA-N 1 0 311.357 1.585 20 5 DDBDRO C[C@H]1[C@@H]([NH3+])CCN1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000842475494 702725331 /nfs/dbraw/zinc/72/53/31/702725331.db2.gz QPAOGLZAEWTFJC-WPRPVWTQSA-N 1 0 312.757 1.608 20 5 DDBDRO [NH3+]CCCCCCNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000842921282 702791256 /nfs/dbraw/zinc/79/12/56/702791256.db2.gz FQWXNJJHMWFCQI-UHFFFAOYSA-N 1 0 315.395 1.533 20 5 DDBDRO CC[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H](O)C(F)F ZINC000843116325 702822120 /nfs/dbraw/zinc/82/21/20/702822120.db2.gz WNFGJHJOFYIKAW-QJPTWQEYSA-N 1 0 304.293 1.622 20 5 DDBDRO Cc1nn(CCc2nc(C3CC[NH2+]CC3)no2)c(C)c1[N+](=O)[O-] ZINC000843139581 702827440 /nfs/dbraw/zinc/82/74/40/702827440.db2.gz ZMKMGHBVLOOSDW-UHFFFAOYSA-N 1 0 320.353 1.501 20 5 DDBDRO C[C@H](NC(=O)CO[C@H]1CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000843380908 702870688 /nfs/dbraw/zinc/87/06/88/702870688.db2.gz GZILFYYWLKYMAY-FZMZJTMJSA-N 1 0 307.350 1.541 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000843469565 702888045 /nfs/dbraw/zinc/88/80/45/702888045.db2.gz NIVPFRYIYDVBIA-QWRGUYRKSA-N 1 0 322.321 1.811 20 5 DDBDRO C[C@H]1[NH2+]CCN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)[C@H]1C ZINC000843472991 702888953 /nfs/dbraw/zinc/88/89/53/702888953.db2.gz UWVCXJPQQFRJDN-MNOVXSKESA-N 1 0 317.349 1.153 20 5 DDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000843485717 702890948 /nfs/dbraw/zinc/89/09/48/702890948.db2.gz QJPNWFXMPSFXFR-NWDGAFQWSA-N 1 0 318.377 1.639 20 5 DDBDRO CCCN(C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CC[N@H+](C)C1 ZINC000843987274 702949282 /nfs/dbraw/zinc/94/92/82/702949282.db2.gz DLDPBLSKNZATNL-LSDHHAIUSA-N 1 0 321.377 1.571 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(CCOc3cccc([N+](=O)[O-])c3)CC[C@H]21 ZINC000879572791 706723020 /nfs/dbraw/zinc/72/30/20/706723020.db2.gz RIDSMFZWWURFQI-CZUORRHYSA-N 1 0 305.378 2.000 20 5 DDBDRO C[C@@H]1CN(c2cc(Cl)c(F)cc2[N+](=O)[O-])CCN1CCO ZINC000845517482 703167046 /nfs/dbraw/zinc/16/70/46/703167046.db2.gz ARJOMKOHTKFFTA-SECBINFHSA-N 1 0 317.748 1.890 20 5 DDBDRO CC[C@H]1C[N@H+](C)CCCN1C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000846972751 703359151 /nfs/dbraw/zinc/35/91/51/703359151.db2.gz MMWKJAPOBYVRCG-ZFWWWQNUSA-N 1 0 321.377 1.571 20 5 DDBDRO C[N@@H+]1CC[C@H](CCOC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000847823021 703472869 /nfs/dbraw/zinc/47/28/69/703472869.db2.gz JJWQTJQZDWESGM-SNVBAGLBSA-N 1 0 322.317 1.822 20 5 DDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000848351485 703542059 /nfs/dbraw/zinc/54/20/59/703542059.db2.gz DMEYMQSLYYIMTC-GJZGRUSLSA-N 1 0 318.377 1.924 20 5 DDBDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000818564237 703927166 /nfs/dbraw/zinc/92/71/66/703927166.db2.gz YHECSAOEUUFXTE-RKDXNWHRSA-N 1 0 308.294 1.312 20 5 DDBDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000818564668 703927515 /nfs/dbraw/zinc/92/75/15/703927515.db2.gz KVPAWZPDQUFUJD-ZYHUDNBSSA-N 1 0 317.349 1.140 20 5 DDBDRO CCO[C@@H](CNC(=O)c1ccc(C)c([N+](=O)[O-])c1)C[NH+](C)C ZINC000831776066 706777188 /nfs/dbraw/zinc/77/71/88/706777188.db2.gz DOZLBZAGDQWCNC-ZDUSSCGKSA-N 1 0 309.366 1.600 20 5 DDBDRO CCO[C@@H](CNC(=O)c1ccc([N+](=O)[O-])s1)C[NH+](C)C ZINC000831777364 706777726 /nfs/dbraw/zinc/77/77/26/706777726.db2.gz XYPPCNFDIJJOME-VIFPVBQESA-N 1 0 301.368 1.353 20 5 DDBDRO COCCN1CCC([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000818974930 704039624 /nfs/dbraw/zinc/03/96/24/704039624.db2.gz ICUFDBVSYKDCOW-INIZCTEOSA-N 1 0 323.393 1.329 20 5 DDBDRO CC(C)(C)NC(=O)CC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819012441 704051627 /nfs/dbraw/zinc/05/16/27/704051627.db2.gz FIOCOJPXAQYSDP-ZDUSSCGKSA-N 1 0 309.366 1.523 20 5 DDBDRO C[C@@]12COC[C@]1(C)C[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000852463943 704054545 /nfs/dbraw/zinc/05/45/45/704054545.db2.gz ZIWGZGSJUJXOCD-HRCADAONSA-N 1 0 306.362 1.987 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCOC[C@H]2CCCO2)c1 ZINC000819073716 704065291 /nfs/dbraw/zinc/06/52/91/704065291.db2.gz PMMRRJZHIIAQSL-CABCVRRESA-N 1 0 310.350 1.413 20 5 DDBDRO CC[C@H](C[NH+](C)C)OC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000870551466 704074591 /nfs/dbraw/zinc/07/45/91/704074591.db2.gz OIOZNLFCOLJNRG-LLVKDONJSA-N 1 0 324.333 1.863 20 5 DDBDRO C[C@H](CO[C@H]1CCOC1)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819148010 704076332 /nfs/dbraw/zinc/07/63/32/704076332.db2.gz OCRRIRUMYGWNQI-BYCMXARLSA-N 1 0 310.350 1.412 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@H]2CCn3ccnc3C2)cc1 ZINC000819244433 704094108 /nfs/dbraw/zinc/09/41/08/704094108.db2.gz KGODXMUJGXFXQW-JSGCOSHPSA-N 1 0 302.334 1.429 20 5 DDBDRO COC(=O)c1cc(NC(=O)C=C2CC[NH2+]CC2)cc([N+](=O)[O-])c1 ZINC000852813391 704133223 /nfs/dbraw/zinc/13/32/23/704133223.db2.gz LUNQRUWOSXSIDM-UHFFFAOYSA-N 1 0 319.317 1.630 20 5 DDBDRO CN(CCC[NH+](C)C)CCNc1nc2ccccn2c1[N+](=O)[O-] ZINC000853798768 704317097 /nfs/dbraw/zinc/31/70/97/704317097.db2.gz KSVHCNJUECLRGZ-UHFFFAOYSA-N 1 0 320.397 1.538 20 5 DDBDRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000855287656 704477346 /nfs/dbraw/zinc/47/73/46/704477346.db2.gz RHCHINRYFBOAFH-LLVKDONJSA-N 1 0 306.366 1.780 20 5 DDBDRO [NH3+][C@@]12CCC[C@H]1CN(C(=O)COc1ccc([N+](=O)[O-])c(F)c1)C2 ZINC000857008297 704546889 /nfs/dbraw/zinc/54/68/89/704546889.db2.gz GNJYMWVOMNSFKA-ZUZCIYMTSA-N 1 0 323.324 1.453 20 5 DDBDRO [NH3+][C@H](CC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)C1CC1 ZINC000832022016 706827611 /nfs/dbraw/zinc/82/76/11/706827611.db2.gz ZIYIPPJFEDAUED-GFCCVEGCSA-N 1 0 307.354 1.082 20 5 DDBDRO CN(CC(C)(C)[NH3+])C(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857765836 704622283 /nfs/dbraw/zinc/62/22/83/704622283.db2.gz GFIZNTRFTVYRFQ-UHFFFAOYSA-N 1 0 317.292 1.762 20 5 DDBDRO CN1CC[NH+](CC2CN(c3ccc([N+](=O)[O-])cc3Cl)C2)CC1 ZINC000858612164 704734525 /nfs/dbraw/zinc/73/45/25/704734525.db2.gz XXYSMWHRVAMCQC-UHFFFAOYSA-N 1 0 324.812 1.932 20 5 DDBDRO CC(C)[C@@H]1C[N@H+](C)CCN1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000823179373 705163325 /nfs/dbraw/zinc/16/33/25/705163325.db2.gz MMGGOYZBLMYHMD-HOTGVXAUSA-N 1 0 307.394 1.900 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000874845028 705199523 /nfs/dbraw/zinc/19/95/23/705199523.db2.gz FFHMFTMKXKPHGU-KGLIPLIRSA-N 1 0 319.361 1.912 20 5 DDBDRO CNc1ccc(C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3C)cc1[N+](=O)[O-] ZINC000874848398 705202220 /nfs/dbraw/zinc/20/22/20/705202220.db2.gz SGBVGBZXBBYDNV-ZIAGYGMSSA-N 1 0 318.377 1.945 20 5 DDBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823927159 705340687 /nfs/dbraw/zinc/34/06/87/705340687.db2.gz OMDOCJGYNQVRNN-LLVKDONJSA-N 1 0 307.354 1.735 20 5 DDBDRO Nc1ccc(NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000824003220 705353263 /nfs/dbraw/zinc/35/32/63/705353263.db2.gz SYPNBSUMTQFFHB-CHWSQXEVSA-N 1 0 319.365 1.925 20 5 DDBDRO CC[NH+]1CCC(N(C)C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000825614934 705703445 /nfs/dbraw/zinc/70/34/45/705703445.db2.gz BVNOPVVAVUUGES-OAHLLOKOSA-N 1 0 321.377 1.571 20 5 DDBDRO C[NH+]1CCC2(CC1)CN(c1cc(N)ccc1[N+](=O)[O-])CCO2 ZINC000826767599 705867949 /nfs/dbraw/zinc/86/79/49/705867949.db2.gz KQPSLOHTMBLLKM-UHFFFAOYSA-N 1 0 306.366 1.478 20 5 DDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]Cc3ccc(CO)c(F)c3)C2)c1 ZINC000876969130 705943233 /nfs/dbraw/zinc/94/32/33/705943233.db2.gz XFXQBWOKAVEBPQ-UHFFFAOYSA-N 1 0 320.324 1.916 20 5 DDBDRO CN(C)c1cc(F)c(C(=O)NCCN2CCC2)cc1[N+](=O)[O-] ZINC000827238694 705957737 /nfs/dbraw/zinc/95/77/37/705957737.db2.gz VWVGWTXTKDKBIP-UHFFFAOYSA-N 1 0 310.329 1.235 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](O)c3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000827244435 705958909 /nfs/dbraw/zinc/95/89/09/705958909.db2.gz AKXCSFVTEVAQMZ-VHDGCEQUSA-N 1 0 319.361 1.181 20 5 DDBDRO CC(C)(C)[S@@](=O)CC[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877056774 705973709 /nfs/dbraw/zinc/97/37/09/705973709.db2.gz WPUVRLMUXLQKBV-VWQNSQQGSA-N 1 0 314.411 1.632 20 5 DDBDRO CCc1n[nH]c(C(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000827328917 705976361 /nfs/dbraw/zinc/97/63/61/705976361.db2.gz FTMIGKANZPNMFK-KOLCDFICSA-N 1 0 307.354 1.047 20 5 DDBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@H]2COC3(CCOCC3)O2)cc1 ZINC000877142009 705995440 /nfs/dbraw/zinc/99/54/40/705995440.db2.gz OWACVDBVDWQMAB-HNNXBMFYSA-N 1 0 322.361 1.649 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877279051 706046110 /nfs/dbraw/zinc/04/61/10/706046110.db2.gz BIGCYIQGGJTJSK-TZMCWYRMSA-N 1 0 323.324 1.466 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877285958 706048894 /nfs/dbraw/zinc/04/88/94/706048894.db2.gz ADWYULMOZOEOMS-ZIAGYGMSSA-N 1 0 305.334 1.327 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877285955 706048994 /nfs/dbraw/zinc/04/89/94/706048994.db2.gz ADWYULMOZOEOMS-KBPBESRZSA-N 1 0 305.334 1.327 20 5 DDBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877286707 706049020 /nfs/dbraw/zinc/04/90/20/706049020.db2.gz GPYKUZUSLKOIOM-YKHJJTLOSA-N 1 0 301.346 1.961 20 5 DDBDRO COc1cc(C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)cc([N+](=O)[O-])c1C ZINC000877372475 706084497 /nfs/dbraw/zinc/08/44/97/706084497.db2.gz AHYIWCCJXKRTBT-BLLLJJGKSA-N 1 0 319.361 1.593 20 5 DDBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000877394536 706093588 /nfs/dbraw/zinc/09/35/88/706093588.db2.gz VSILITKJYWQYBT-ZBFHGGJFSA-N 1 0 303.362 1.928 20 5 DDBDRO C[C@H]1C[C@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)c2nccn21 ZINC000877570805 706146119 /nfs/dbraw/zinc/14/61/19/706146119.db2.gz TUUUUZVJKXNAAM-YUVKLTJASA-N 1 0 302.338 1.987 20 5 DDBDRO CCCN1C[C@@H](C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CC1=O ZINC000877595004 706153311 /nfs/dbraw/zinc/15/33/11/706153311.db2.gz PFUBOCTZGSHGBL-PNESKVBLSA-N 1 0 321.381 1.343 20 5 DDBDRO C[C@H]1CSC[C@@H]1[NH2+][C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000877831472 706227107 /nfs/dbraw/zinc/22/71/07/706227107.db2.gz UUXOJXBDXKAKCY-GSVCSZOMSA-N 1 0 312.391 1.330 20 5 DDBDRO O=[N+]([O-])c1cnn(CCN2CCC[C@@H]([NH2+]C3CCOCC3)C2)c1 ZINC000880204094 706909862 /nfs/dbraw/zinc/90/98/62/706909862.db2.gz RSSHXWYGVBEIAS-CQSZACIVSA-N 1 0 323.397 1.024 20 5 DDBDRO COC(=O)[C@]12CCC[C@H]1C[N@H+](CCn1c(C)ncc1[N+](=O)[O-])C2 ZINC000880329124 706942293 /nfs/dbraw/zinc/94/22/93/706942293.db2.gz JTTSWBRNHWCIRV-WFASDCNBSA-N 1 0 322.365 1.375 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2[C@@H](C)CC[C@H]2CO)c1 ZINC000880443889 706978793 /nfs/dbraw/zinc/97/87/93/706978793.db2.gz NILAMROTXTUOEP-GWCFXTLKSA-N 1 0 308.334 1.727 20 5 DDBDRO C[N@@H+]1CC[C@]2(CCN(C(=O)[C@H](O)c3cccc([N+](=O)[O-])c3)C2)C1 ZINC000833458978 707008593 /nfs/dbraw/zinc/00/85/93/707008593.db2.gz RIGODNAOMYOISR-ZBFHGGJFSA-N 1 0 319.361 1.182 20 5 DDBDRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000872779127 707596594 /nfs/dbraw/zinc/59/65/94/707596594.db2.gz MYCHKUCDGUVBFQ-KBPBESRZSA-N 1 0 304.350 1.367 20 5 DDBDRO Cc1c(C[NH2+]CCN2C[C@H]3CC[C@@H](C2)O3)cccc1[N+](=O)[O-] ZINC000873130343 707743292 /nfs/dbraw/zinc/74/32/92/707743292.db2.gz BOQLUVUCBABRPN-GASCZTMLSA-N 1 0 305.378 1.856 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)c1C ZINC000884042570 708115262 /nfs/dbraw/zinc/11/52/62/708115262.db2.gz CAJYGVPBBCBDIO-DGCLKSJQSA-N 1 0 307.350 1.400 20 5 DDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000897218459 708256740 /nfs/dbraw/zinc/25/67/40/708256740.db2.gz CUFOEWYKWTUBCP-OLZOCXBDSA-N 1 0 323.397 1.155 20 5 DDBDRO Cc1cc(N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)ncc1[N+](=O)[O-] ZINC000897220417 708258802 /nfs/dbraw/zinc/25/88/02/708258802.db2.gz AYBTWJRBMLILOM-QWHCGFSZSA-N 1 0 306.366 1.334 20 5 DDBDRO O=C(OCc1cccnc1[N+](=O)[O-])C1CC[NH+](C2CC2)CC1 ZINC000884495903 708316097 /nfs/dbraw/zinc/31/60/97/708316097.db2.gz HCFPFRWLKTVUEG-UHFFFAOYSA-N 1 0 305.334 1.907 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c1C ZINC000898436688 708639625 /nfs/dbraw/zinc/63/96/25/708639625.db2.gz HTEFEVHIKSJOKS-QWHCGFSZSA-N 1 0 319.361 1.103 20 5 DDBDRO O=[N+]([O-])c1ncccc1CN1CCC([NH+]2CCOCC2)CC1 ZINC000886284386 708735835 /nfs/dbraw/zinc/73/58/35/708735835.db2.gz VZCWOTWXDSEBPS-UHFFFAOYSA-N 1 0 306.366 1.286 20 5 DDBDRO COC(=O)C1CCC([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000898610503 708810466 /nfs/dbraw/zinc/81/04/66/708810466.db2.gz KLVPJXAIALRUQL-UHFFFAOYSA-N 1 0 322.365 1.816 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CC([NH+]2CCCC2)C1 ZINC000898613199 708812077 /nfs/dbraw/zinc/81/20/77/708812077.db2.gz WJFUVGRBYMWVSS-UHFFFAOYSA-N 1 0 323.324 1.419 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C[C@]1(O)CCC[N@@H+](C)C1 ZINC000899936888 709243270 /nfs/dbraw/zinc/24/32/70/709243270.db2.gz JFNRWHOERAFCPU-MRXNPFEDSA-N 1 0 321.377 1.997 20 5 DDBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912928339 713127158 /nfs/dbraw/zinc/12/71/58/713127158.db2.gz IIFBIAIOLSQEMJ-QZDDGCDVSA-N 1 0 301.346 1.915 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCN1C ZINC000900812301 709773299 /nfs/dbraw/zinc/77/32/99/709773299.db2.gz UVXVWWDWHOUBEI-TZMCWYRMSA-N 1 0 320.393 1.267 20 5 DDBDRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)NCCc1ccccc1[N+](=O)[O-])C2 ZINC000891608741 710246946 /nfs/dbraw/zinc/24/69/46/710246946.db2.gz YDBZCFWXCVDBIG-XJKSGUPXSA-N 1 0 318.377 1.388 20 5 DDBDRO C[C@@H](NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000892078221 710367460 /nfs/dbraw/zinc/36/74/60/710367460.db2.gz NSMHOZNMTNYHQX-DMDPSCGWSA-N 1 0 306.366 1.953 20 5 DDBDRO C[C@@H]1[C@H](NC(=O)CN(C)c2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000928435839 713194884 /nfs/dbraw/zinc/19/48/84/713194884.db2.gz DEAFQGRXNCMFBS-VXGBXAGGSA-N 1 0 306.366 1.240 20 5 DDBDRO C[C@H]1[C@H](NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000928452036 713203122 /nfs/dbraw/zinc/20/31/22/713203122.db2.gz MNJPKXBZVBTAQL-SWLSCSKDSA-N 1 0 320.393 1.996 20 5 DDBDRO C[NH+](C)CC1(C(=O)NCc2cc([N+](=O)[O-])c(F)cc2F)CC1 ZINC000911472500 710812353 /nfs/dbraw/zinc/81/23/53/710812353.db2.gz KYSVDPDHYBOYHJ-UHFFFAOYSA-N 1 0 313.304 1.831 20 5 DDBDRO [NH3+]C[C@@H]1CCN(C(=O)CCc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000911739539 710959061 /nfs/dbraw/zinc/95/90/61/710959061.db2.gz XQAHZDSCAMYINY-JTQLQIEISA-N 1 0 311.769 1.988 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCO[C@]12CCOC2 ZINC000903090512 711029154 /nfs/dbraw/zinc/02/91/54/711029154.db2.gz CJDQPJMTQOCOFA-GJZGRUSLSA-N 1 0 308.334 1.641 20 5 DDBDRO CC1(C)C[NH2+]CCN1C(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000911849085 711031156 /nfs/dbraw/zinc/03/11/56/711031156.db2.gz YZFXIJZCIRNNQJ-KGLIPLIRSA-N 1 0 303.362 1.909 20 5 DDBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@@H]2CCO[C@]23CCOC3)cc1 ZINC000903120972 711038591 /nfs/dbraw/zinc/03/85/91/711038591.db2.gz RAOIXCSKKZSRBX-CABCVRRESA-N 1 0 308.334 1.511 20 5 DDBDRO C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000911866670 711040912 /nfs/dbraw/zinc/04/09/12/711040912.db2.gz AUYDOHJXGDRSGT-KKUMJFAQSA-N 1 0 303.362 1.909 20 5 DDBDRO COc1cc([C@H](C)[NH2+]C[C@H](C)S(C)(=O)=O)cc([N+](=O)[O-])c1 ZINC000903127984 711041601 /nfs/dbraw/zinc/04/16/01/711041601.db2.gz PIPNDPCQDOUSNM-UWVGGRQHSA-N 1 0 316.379 1.687 20 5 DDBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000911881031 711048816 /nfs/dbraw/zinc/04/88/16/711048816.db2.gz YUSDCASQXYFSDY-LLVKDONJSA-N 1 0 324.406 1.032 20 5 DDBDRO Cc1cc(C(=O)N(CCO)C2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000911933586 711075057 /nfs/dbraw/zinc/07/50/57/711075057.db2.gz LSQCCALCKJFGNG-UHFFFAOYSA-N 1 0 321.377 1.432 20 5 DDBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCN(C)[C@@H]1C ZINC000903302541 711094392 /nfs/dbraw/zinc/09/43/92/711094392.db2.gz CSCKRBILQNFLFH-LALPHHSUSA-N 1 0 320.393 1.994 20 5 DDBDRO C[NH+](C)C[C@]1(O)CCN(c2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000895008927 711364964 /nfs/dbraw/zinc/36/49/64/711364964.db2.gz JHLOPSLSCCOMCH-MRXNPFEDSA-N 1 0 316.361 1.646 20 5 DDBDRO COC[C@@H]1C[NH2+]CCN1C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000904272582 711421921 /nfs/dbraw/zinc/42/19/21/711421921.db2.gz HJOJUJPDDVTNBL-LBPRGKRZSA-N 1 0 308.338 1.355 20 5 DDBDRO C[C@@H](Nc1nc2ccccn2c1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCN1C ZINC000895249672 711466306 /nfs/dbraw/zinc/46/63/06/711466306.db2.gz WOFKARMZULHBHF-NEPJUHHUSA-N 1 0 318.381 1.289 20 5 DDBDRO Cc1ccc(CNC(=O)N2CC[C@H]3C[N@@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000896219939 711693504 /nfs/dbraw/zinc/69/35/04/711693504.db2.gz JMEWOKOFZXWPCK-DZGCQCFKSA-N 1 0 318.377 1.749 20 5 DDBDRO Cc1ccc(C(=O)N2CCC(O)(C[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000913682820 713280441 /nfs/dbraw/zinc/28/04/41/713280441.db2.gz YSBCSUOBGOQSES-UHFFFAOYSA-N 1 0 321.377 1.432 20 5 DDBDRO CC[C@@H]([NH2+]CC[N+](=O)[O-])[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000905185543 711961963 /nfs/dbraw/zinc/96/19/63/711961963.db2.gz CGXITHDNGGHOSC-HUUCEWRRSA-N 1 0 303.366 1.821 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@H]1COC2(CCC2)C1 ZINC000905450669 712041192 /nfs/dbraw/zinc/04/11/92/712041192.db2.gz IETJWYGEYOGFSV-OLZOCXBDSA-N 1 0 322.361 1.636 20 5 DDBDRO CC[NH+](CC)CCOC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000917510350 713501506 /nfs/dbraw/zinc/50/15/06/713501506.db2.gz NXZVGSMOGUSNMB-UHFFFAOYSA-N 1 0 310.306 1.822 20 5 DDBDRO O=C(Nc1ccc2c(c1)OCO2)C1CC[NH+](CC[N+](=O)[O-])CC1 ZINC000929186445 713563143 /nfs/dbraw/zinc/56/31/43/713563143.db2.gz ACPSUNNXXZJHDG-UHFFFAOYSA-N 1 0 321.333 1.343 20 5 DDBDRO C[N@@H+]1CC[C@@H]1CNC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000919801729 713635756 /nfs/dbraw/zinc/63/57/56/713635756.db2.gz GOVQGUVSABXBIU-OAHLLOKOSA-N 1 0 320.393 1.921 20 5 DDBDRO C[C@H](O)[C@@H](O)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000929750675 713682274 /nfs/dbraw/zinc/68/22/74/713682274.db2.gz WKNZCSMRERTLMF-NHYWBVRUSA-N 1 0 310.350 1.180 20 5 DDBDRO C[C@@H]1CC[N@H+](CC[N+](=O)[O-])C[C@@H]1CNC(=O)OC(C)(C)C ZINC000930684314 713896035 /nfs/dbraw/zinc/89/60/35/713896035.db2.gz OVJANDGHURFVPJ-NEPJUHHUSA-N 1 0 301.387 1.746 20 5 DDBDRO COC(=O)COc1ccc(C[NH2+][C@H]2COC[C@H]2C)cc1[N+](=O)[O-] ZINC000922641356 714108812 /nfs/dbraw/zinc/10/88/12/714108812.db2.gz GZJLPMVRJXEWND-PWSUYJOCSA-N 1 0 324.333 1.271 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000923332688 714317955 /nfs/dbraw/zinc/31/79/55/714317955.db2.gz MCTBJKBPKNDNIE-GOEBONIOSA-N 1 0 321.377 1.020 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)CN2CC[NH2+]C[C@H]2C(F)F)c1 ZINC000923350564 714323221 /nfs/dbraw/zinc/32/32/21/714323221.db2.gz CEAWSHLQXZGKIW-NWDGAFQWSA-N 1 0 301.293 1.167 20 5 DDBDRO CC(C)[C@H]1C[NH2+]CCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000923399978 714342480 /nfs/dbraw/zinc/34/24/80/714342480.db2.gz UEDKCAZNYKLCBZ-GDBMZVCRSA-N 1 0 323.393 1.264 20 5 DDBDRO CCOc1cc(CN2C3CCC2(C(N)=O)CC3)ccc1[N+](=O)[O-] ZINC000932934160 714440290 /nfs/dbraw/zinc/44/02/90/714440290.db2.gz FHPXMUGZDRQLHO-UHFFFAOYSA-N 1 0 319.361 1.976 20 5 DDBDRO C[N@@H+]1C[C@@H]2CN(Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)C[C@]2(C)C1 ZINC000933732370 714657635 /nfs/dbraw/zinc/65/76/35/714657635.db2.gz PFHDHDFZVRIRPM-BZNIZROVSA-N 1 0 315.377 1.855 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCCC[C@@H]([C@@H]3CCOC3)C2)c1 ZINC000934832314 714912917 /nfs/dbraw/zinc/91/29/17/714912917.db2.gz AXMPUKYQDCYDRH-ZIAGYGMSSA-N 1 0 308.382 1.930 20 5 DDBDRO COC(=O)c1ccnc(N2CC[NH+](CC(C)C)CC2)c1[N+](=O)[O-] ZINC000598586150 719334431 /nfs/dbraw/zinc/33/44/31/719334431.db2.gz DPEXNOVFFSZEQE-UHFFFAOYSA-N 1 0 322.365 1.554 20 5 DDBDRO C[N@@H+]1CCO[C@H]2CN(c3nc4ccccc4cc3[N+](=O)[O-])C[C@@H]21 ZINC000352355706 719413750 /nfs/dbraw/zinc/41/37/50/719413750.db2.gz JIQZEOKLQLWFFL-GJZGRUSLSA-N 1 0 314.345 1.662 20 5 DDBDRO CCn1nccc1C(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001126185154 738483710 /nfs/dbraw/zinc/48/37/10/738483710.db2.gz VQSDRJLNNXCOIH-UHFFFAOYSA-N 1 0 317.349 1.331 20 5 DDBDRO O=[N+]([O-])c1cc(Cl)[n+]([O-])c(-n2ccnc2[C@H]2CCC[NH2+]C2)c1 ZINC001167055627 732358372 /nfs/dbraw/zinc/35/83/72/732358372.db2.gz JZTLJCFKDPFJDC-VIFPVBQESA-N 1 0 323.740 1.534 20 5 DDBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)c1cnco1 ZINC001020447303 732387012 /nfs/dbraw/zinc/38/70/12/732387012.db2.gz RXPMKEJDCGJTSU-HAQNSBGRSA-N 1 0 316.317 1.633 20 5 DDBDRO Cc1ccnc(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)n1 ZINC001126468147 740279825 /nfs/dbraw/zinc/27/98/25/740279825.db2.gz PXGVSHZKFGUJEZ-UHFFFAOYSA-N 1 0 315.333 1.213 20 5 DDBDRO CC[N@H+](C)CCC(=O)N(C)CCN(C)c1ccccc1[N+](=O)[O-] ZINC001105460154 741855505 /nfs/dbraw/zinc/85/55/05/741855505.db2.gz RNRGFFNYWGELFO-UHFFFAOYSA-N 1 0 322.409 1.831 20 5 DDBDRO CS[C@@H]1CN(c2nn(C)cc2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC001186174347 744357327 /nfs/dbraw/zinc/35/73/27/744357327.db2.gz CYJBGQHPHXUOFS-CMPLNLGQSA-N 1 0 311.411 1.344 20 5 DDBDRO CS[C@@H]1CN(c2nn(C)cc2[N+](=O)[O-])C[C@H]1[NH+]1CCCC1 ZINC001186174351 744357343 /nfs/dbraw/zinc/35/73/43/744357343.db2.gz CYJBGQHPHXUOFS-ZYHUDNBSSA-N 1 0 311.411 1.344 20 5 DDBDRO CN1CCN(C(=[NH2+])Nc2cc([N+](=O)[O-])cc3cc[nH]c32)CC1 ZINC001168737485 748538832 /nfs/dbraw/zinc/53/88/32/748538832.db2.gz ZROHLDDLMNQABD-UHFFFAOYSA-N 1 0 302.338 1.670 20 5 DDBDRO CC[NH+](CC)CC(=O)NCCN(C)c1ccc([N+](=O)[O-])c(C)c1 ZINC001100121429 761891372 /nfs/dbraw/zinc/89/13/72/761891372.db2.gz ZBYBVAAYSCCFPX-UHFFFAOYSA-N 1 0 322.409 1.797 20 5 DDBDRO Cc1cncc(C[NH2+]C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1 ZINC000996429311 749588029 /nfs/dbraw/zinc/58/80/29/749588029.db2.gz PAUDCDNEBFWLIK-HUUCEWRRSA-N 1 0 318.377 1.136 20 5 DDBDRO Cc1c(-n2cc3c(n2)CC[C@H]([NH3+])C3)ccc([N+](=O)[O-])c1[N+](=O)[O-] ZINC001168817744 762028096 /nfs/dbraw/zinc/02/80/96/762028096.db2.gz ZAZDWJHMKJQYPK-JTQLQIEISA-N 1 0 317.305 1.813 20 5 DDBDRO CC(=O)NCC[NH+]1CCC(Nc2cc(C)ccc2[N+](=O)[O-])CC1 ZINC001111309593 750444477 /nfs/dbraw/zinc/44/44/77/750444477.db2.gz TYVJKGLUKCTGHX-UHFFFAOYSA-N 1 0 320.393 1.916 20 5 DDBDRO COC(=O)C[C@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1cccnc1 ZINC001168985253 762152054 /nfs/dbraw/zinc/15/20/54/762152054.db2.gz SDMBTSAVTRIGQE-XBFCOCLRSA-N 1 0 307.350 1.721 20 5 DDBDRO C[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168970439 762159409 /nfs/dbraw/zinc/15/94/09/762159409.db2.gz HPHHPXAWDCGTRN-GRYCIOLGSA-N 1 0 301.387 1.935 20 5 DDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+][C@H]2CCN(Cc3cccnc3)C2)C1 ZINC001168994129 762167916 /nfs/dbraw/zinc/16/79/16/762167916.db2.gz PLLKRPKYRKVVMH-BPUTZDHNSA-N 1 0 304.394 1.691 20 5 DDBDRO O=C(c1ccccc1)N1CC[C@@H]([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168994084 762168061 /nfs/dbraw/zinc/16/80/61/762168061.db2.gz OXBJRBWPMOGJKW-CWRNSKLLSA-N 1 0 317.389 1.936 20 5 DDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2ccnc(OCC3CC3)n2)C1 ZINC001168998101 762170074 /nfs/dbraw/zinc/17/00/74/762170074.db2.gz IFLZVWHBWLISMT-QWHCGFSZSA-N 1 0 306.366 1.800 20 5 DDBDRO CC(C)(C)OC(=O)NCC1C[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169011062 762178032 /nfs/dbraw/zinc/17/80/32/762178032.db2.gz HWPPIQYOBBMWGH-YPMHNXCESA-N 1 0 313.398 1.888 20 5 DDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CCN(c3ncccc3F)CC2)C1 ZINC001169056900 762211248 /nfs/dbraw/zinc/21/12/48/762211248.db2.gz UBZKGSNXPBLPRB-QWHCGFSZSA-N 1 0 308.357 1.788 20 5 DDBDRO Cc1ccnc(N2CC[NH+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)n1 ZINC001169057130 762211252 /nfs/dbraw/zinc/21/12/52/762211252.db2.gz UYMHUMFZJLGLEG-ZIAGYGMSSA-N 1 0 305.382 1.352 20 5 DDBDRO [NH3+][C@H]1[C@H]2CN(C(F)(F)c3ccc([N+](=O)[O-])c(Cl)n3)C[C@@H]12 ZINC001165383210 756948217 /nfs/dbraw/zinc/94/82/17/756948217.db2.gz QJBFYPVEAHDWJY-GJVVYLMISA-N 1 0 304.684 1.581 20 5 DDBDRO CC(C)OCC(=O)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001155383958 761102427 /nfs/dbraw/zinc/10/24/27/761102427.db2.gz NJHLRQRHWGXUJH-UHFFFAOYSA-N 1 0 309.366 1.616 20 5 DDBDRO Cc1c(N[C@H](C)[C@H]2C[NH2+]CCO2)ccc([N+](=O)[O-])c1[N+](=O)[O-] ZINC001170565638 768164615 /nfs/dbraw/zinc/16/46/15/768164615.db2.gz CBLFTAPNKHXFAG-BXKDBHETSA-N 1 0 310.310 1.600 20 5 DDBDRO [NH3+]Cc1ccc2nnn(-c3ccc4nc[nH]c4c3[N+](=O)[O-])c2c1 ZINC001170024595 764113526 /nfs/dbraw/zinc/11/35/26/764113526.db2.gz WFDLXMKYIUDIHG-UHFFFAOYSA-N 1 0 309.289 1.664 20 5 DDBDRO C[NH+](C)CCC(=O)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001113297668 765546184 /nfs/dbraw/zinc/54/61/84/765546184.db2.gz JXSGJLJXODJGAU-UHFFFAOYSA-N 1 0 320.393 1.191 20 5 DDBDRO COc1ccc(C[C@@H](C)[N@@H+]2CC[C@H](NC(C)=O)C2)c([N+](=O)[O-])c1 ZINC001170354408 766260355 /nfs/dbraw/zinc/26/03/55/766260355.db2.gz KUXFFEQXLMAXRJ-RISCZKNCSA-N 1 0 321.377 1.745 20 5 DDBDRO COc1ccc(C[C@H](C)[N@@H+]2CC[C@@H](NC(C)=O)C2)c([N+](=O)[O-])c1 ZINC001170354409 766260836 /nfs/dbraw/zinc/26/08/36/766260836.db2.gz KUXFFEQXLMAXRJ-SMDDNHRTSA-N 1 0 321.377 1.745 20 5 DDBDRO O=C1CC[C@H](C[NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)N1 ZINC001172898201 776914289 /nfs/dbraw/zinc/91/42/89/776914289.db2.gz HOXPPNHTLJUGMO-UONOGXRCSA-N 1 0 303.362 1.710 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@H+]1C[C@H](O)C[C@@H]1CO)CC2 ZINC001172908876 776917865 /nfs/dbraw/zinc/91/78/65/776917865.db2.gz AZJVLYNMDYOMSZ-FVQBIDKESA-N 1 0 306.362 1.270 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CC3(C2)C[NH+](C)C3)c1F ZINC001173191066 777036412 /nfs/dbraw/zinc/03/64/12/777036412.db2.gz ACDLCPOLNHDOOE-NSHDSACASA-N 1 0 323.368 1.921 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@H]2COC[C@@H]2F)c1F ZINC001173187141 777036730 /nfs/dbraw/zinc/03/67/30/777036730.db2.gz XUPKRHOUANDFQD-LSJOCFKGSA-N 1 0 316.304 2.000 20 5 DDBDRO CNC(=O)[C@H](C)[NH2+][C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173193314 777037704 /nfs/dbraw/zinc/03/77/04/777037704.db2.gz UPVUYMTXJPMAGL-IUCAKERBSA-N 1 0 313.329 1.398 20 5 DDBDRO COC(=O)[C@@H](CCC[NH3+])N[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173217792 777050029 /nfs/dbraw/zinc/05/00/29/777050029.db2.gz MGHXBVQNHIRTDF-BXUZGUMPSA-N 1 0 309.366 1.396 20 5 DDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCN1CCOC[C@H]1C ZINC001173222643 777056369 /nfs/dbraw/zinc/05/63/69/777056369.db2.gz YJEOWVBUSBOVFU-ZIAGYGMSSA-N 1 0 307.394 1.836 20 5 DDBDRO Cc1cc(C[NH2+]CCCCCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])no1 ZINC001178458760 779059135 /nfs/dbraw/zinc/05/91/35/779059135.db2.gz WWYFHNBJMOMWRO-ZIAGYGMSSA-N 1 0 324.381 1.414 20 5 DDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC001118060732 781011989 /nfs/dbraw/zinc/01/19/89/781011989.db2.gz LGYLKECOKQESMD-WDEREUQCSA-N 1 0 306.366 1.693 20 5 DDBDRO COCC(C)(C)[NH+]1CCN(c2c(C)cncc2[N+](=O)[O-])CC1 ZINC001118158641 781046182 /nfs/dbraw/zinc/04/61/82/781046182.db2.gz GGPXXQDVMOEXHZ-UHFFFAOYSA-N 1 0 308.382 1.845 20 5 DDBDRO C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 ZINC001119952868 781696098 /nfs/dbraw/zinc/69/60/98/781696098.db2.gz FEMJKZGFFLDAOB-DGCLKSJQSA-N 1 0 312.391 1.550 20 5 DDBDRO CCc1cccc(C[N@H+](C)CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC001267193733 837510442 /nfs/dbraw/zinc/51/04/42/837510442.db2.gz BMAMSKAXMGNOSF-HUUCEWRRSA-N 1 0 305.378 1.462 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(N2CCOC[C@@H]2C[NH+](C)C)nc1Cl ZINC001154969259 861610166 /nfs/dbraw/zinc/61/01/66/861610166.db2.gz SDMDVNCDDZTJPD-JTQLQIEISA-N 1 0 314.773 1.718 20 5 DDBDRO O=C(NCC1([NH2+]CCC2CCCC2)CCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001326823745 861633882 /nfs/dbraw/zinc/63/38/82/861633882.db2.gz YDVCHINYGKKMEM-ZIAGYGMSSA-N 1 0 309.410 1.860 20 5 DDBDRO O=C(NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccon1 ZINC001155144048 861770475 /nfs/dbraw/zinc/77/04/75/861770475.db2.gz VOESZUKTAFXDBR-UHFFFAOYSA-N 1 0 304.306 1.493 20 5 DDBDRO COC(=O)[C@@H]([NH3+])C1CCN(c2nccc(C)c2[N+](=O)[O-])CC1 ZINC001155151409 861775851 /nfs/dbraw/zinc/77/58/51/861775851.db2.gz DBAOLAUKHADYFJ-NSHDSACASA-N 1 0 308.338 1.015 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]C1(CNC(=O)C2CCC2)CCC1 ZINC001273032453 847816409 /nfs/dbraw/zinc/81/64/09/847816409.db2.gz QWZQFUFSHAFKFM-UHFFFAOYSA-N 1 0 321.381 1.257 20 5 DDBDRO COC(=O)[C@@H](Nc1cnc2cc([N+](=O)[O-])ccc2n1)C(C)(C)[NH3+] ZINC001155368304 861999879 /nfs/dbraw/zinc/99/98/79/861999879.db2.gz FRTKBVZGYGDOPA-GFCCVEGCSA-N 1 0 319.321 1.229 20 5 DDBDRO Nc1cc(NCC[C@H]2C[NH2+]Cc3cccn3C2)ncc1[N+](=O)[O-] ZINC001155458785 862109542 /nfs/dbraw/zinc/10/95/42/862109542.db2.gz LNMZHYNVHYEYAX-NSHDSACASA-N 1 0 316.365 1.595 20 5 DDBDRO O=[N+]([O-])c1c[nH]c2ccc(NC[C@]34C[NH2+]C[C@H]3COC4)nc21 ZINC001155515819 862180770 /nfs/dbraw/zinc/18/07/70/862180770.db2.gz KCXFZHCDXQHPMO-XPTSAGLGSA-N 1 0 303.322 1.119 20 5 DDBDRO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)COc1ccccc1[N+](=O)[O-] ZINC001327544805 862259361 /nfs/dbraw/zinc/25/93/61/862259361.db2.gz UDKFXDYFSXUOJE-STQMWFEESA-N 1 0 321.377 1.963 20 5 DDBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1NC[C@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001155596783 862274829 /nfs/dbraw/zinc/27/48/29/862274829.db2.gz JCYQGVHNWQJHMT-SWLSCSKDSA-N 1 0 322.365 1.107 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)ncnc2N[C@H]1C[NH2+][C@@H]2CCO[C@@H]21 ZINC001155636228 862321704 /nfs/dbraw/zinc/32/17/04/862321704.db2.gz IATJNOPTBUAUQP-WXHSDQCUSA-N 1 0 301.306 1.079 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(C)cc1-c1noc(C[C@H]2COCC[NH2+]2)n1 ZINC001328042770 862655798 /nfs/dbraw/zinc/65/57/98/862655798.db2.gz YQKFXUMUPFAAAB-NSHDSACASA-N 1 0 318.333 1.793 20 5 DDBDRO O=C(NCCC[NH2+]C1CC1)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001122118252 858690240 /nfs/dbraw/zinc/69/02/40/858690240.db2.gz NHWYAHVONCZIDO-LSDHHAIUSA-N 1 0 303.362 1.957 20 5 DDBDRO COc1cc(C(=O)N2CC[C@@H]3CC[C@]32C[NH3+])ccc1[N+](=O)[O-] ZINC001122412884 858797657 /nfs/dbraw/zinc/79/76/57/858797657.db2.gz YVTJVIHXMHMXGS-NHYWBVRUSA-N 1 0 305.334 1.557 20 5 DDBDRO COc1cc(C(=O)N2CC[C@H]3CC[C@@]32C[NH3+])ccc1[N+](=O)[O-] ZINC001122412883 858797685 /nfs/dbraw/zinc/79/76/85/858797685.db2.gz YVTJVIHXMHMXGS-IAQYHMDHSA-N 1 0 305.334 1.557 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)OC[C@@]12CC[N@H+](C1)CCC2 ZINC001123031532 859063182 /nfs/dbraw/zinc/06/31/82/859063182.db2.gz PYNZNAAHLCQLII-AWEZNQCLSA-N 1 0 308.338 1.129 20 5 DDBDRO C[C@H](CCNC(=O)c1cnc(N)c([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC001138168779 860028962 /nfs/dbraw/zinc/02/89/62/860028962.db2.gz ORCCTQHXVNGLBE-LLVKDONJSA-N 1 0 321.381 1.566 20 5 DDBDRO C[N@@H+]1CCC[C@H]1CO[C@@H](C[N+](=O)[O-])c1ccc2c(c1)OCO2 ZINC001224829522 881549306 /nfs/dbraw/zinc/54/93/06/881549306.db2.gz JXUROGUQHXMQFO-WFASDCNBSA-N 1 0 308.334 1.844 20 5 DDBDRO CC[N@@H+]1C[C@H](NC(=O)c2ccnc(NC)c2[N+](=O)[O-])C(C)(C)C1 ZINC001156837420 863384220 /nfs/dbraw/zinc/38/42/20/863384220.db2.gz UGBDMTKTINKLLG-NSHDSACASA-N 1 0 321.381 1.492 20 5 DDBDRO COC(=O)[C@@H](CCC[NH3+])Nc1ncc([N+](=O)[O-])cc1Cl ZINC001157114539 863591729 /nfs/dbraw/zinc/59/17/29/863591729.db2.gz JMBRKCTWHIMVOG-SECBINFHSA-N 1 0 302.718 1.336 20 5 DDBDRO [NH3+]Cc1cnn(-c2nc(Cl)nc3ccc([N+](=O)[O-])cc32)c1 ZINC001157472218 863847791 /nfs/dbraw/zinc/84/77/91/863847791.db2.gz YSQWRJAEASIJIG-UHFFFAOYSA-N 1 0 304.697 1.836 20 5 DDBDRO CN1CCN(C(=[NH2+])Nc2ncnc3cc([N+](=O)[O-])ccc32)CC1 ZINC001157914887 864254913 /nfs/dbraw/zinc/25/49/13/864254913.db2.gz OBSHGKVZTMFMOT-UHFFFAOYSA-N 1 0 315.337 1.132 20 5 DDBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(NCC(C)(C)C[NH+](C)C)n1 ZINC001157949060 864295264 /nfs/dbraw/zinc/29/52/64/864295264.db2.gz WVHIIOZFKCPUNB-UHFFFAOYSA-N 1 0 324.385 1.651 20 5 DDBDRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001154022538 864326963 /nfs/dbraw/zinc/32/69/63/864326963.db2.gz LBJNKABUFLTMNJ-HTQZYQBOSA-N 1 0 313.745 1.280 20 5 DDBDRO Cc1cnc(-n2nnc(-c3cccc(C[NH3+])c3)n2)c([N+](=O)[O-])c1 ZINC001158042610 864384563 /nfs/dbraw/zinc/38/45/63/864384563.db2.gz KQPJLSQGSGWSGH-UHFFFAOYSA-N 1 0 311.305 1.400 20 5 DDBDRO CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001330609052 864484936 /nfs/dbraw/zinc/48/49/36/864484936.db2.gz DCARFFCFMRCGOZ-GOEBONIOSA-N 1 0 319.361 1.247 20 5 DDBDRO CCOC(=O)C1(Nc2cc([N+](=O)[O-])ccn2)CC[NH+](C)CC1 ZINC001158568517 864733107 /nfs/dbraw/zinc/73/31/07/864733107.db2.gz IKIUKEOYFWFSKD-UHFFFAOYSA-N 1 0 308.338 1.429 20 5 DDBDRO CCOC(=O)c1ccnc(N2CCC3(C[NH2+]C3)CC2)c1[N+](=O)[O-] ZINC001159049802 865077130 /nfs/dbraw/zinc/07/71/30/865077130.db2.gz OMYBZTMUXSULBQ-UHFFFAOYSA-N 1 0 320.349 1.356 20 5 DDBDRO Cc1ncoc1C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC001331527604 865137373 /nfs/dbraw/zinc/13/73/73/865137373.db2.gz BXNSFWIHKYJENY-NSHDSACASA-N 1 0 303.322 1.973 20 5 DDBDRO CSc1nc(Cl)c([N+](=O)[O-])c(NCC2C[NH+](C)C2)n1 ZINC001159216344 865169049 /nfs/dbraw/zinc/16/90/49/865169049.db2.gz PYUHSHOOINWGBR-UHFFFAOYSA-N 1 0 303.775 1.734 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc(C(F)(F)F)nc1 ZINC001225504881 881875419 /nfs/dbraw/zinc/87/54/19/881875419.db2.gz LSZNTCAABAFDTD-SECBINFHSA-N 1 0 307.292 1.463 20 5 DDBDRO Cc1c(C)c(N[C@@]2(C[NH3+])CN3CCC2CC3)ncc1[N+](=O)[O-] ZINC001160514179 865900433 /nfs/dbraw/zinc/90/04/33/865900433.db2.gz UQGBYJBQJNVRGJ-HNNXBMFYSA-N 1 0 305.382 1.442 20 5 DDBDRO [NH3+][C@H]1CC[C@H](N=c2cnccn2-c2cc([N+](=O)[O-])ccn2)CC1 ZINC001161291948 866495547 /nfs/dbraw/zinc/49/55/47/866495547.db2.gz GQQWYIOXTPFVTK-HAQNSBGRSA-N 1 0 314.349 1.346 20 5 DDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@@H]1C[NH2+]CCC1(F)F ZINC001333292107 866599298 /nfs/dbraw/zinc/59/92/98/866599298.db2.gz MBWNHXJPBCAOOY-NSHDSACASA-N 1 0 313.304 1.498 20 5 DDBDRO N=c1ncc(C[NH3+])cn1-c1ccc(-c2ccc([N+](=O)[O-])cc2)nn1 ZINC001161418376 866650482 /nfs/dbraw/zinc/65/04/82/866650482.db2.gz WRVJUOILPUGHOR-UHFFFAOYSA-N 1 0 323.316 1.176 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cc(Br)ccn1 ZINC001225736312 882002720 /nfs/dbraw/zinc/00/27/20/882002720.db2.gz QHRGWKCRYPWTFZ-SNVBAGLBSA-N 1 0 318.191 1.207 20 5 DDBDRO CC(C)[C@H]([NH3+])CCNC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001333533966 866818040 /nfs/dbraw/zinc/81/80/40/866818040.db2.gz XQTYVAHUMXRBTL-CQSZACIVSA-N 1 0 306.366 1.993 20 5 DDBDRO CN1CC[NH+](CCCNc2ccc3c([N+](=O)[O-])c[nH]c3n2)CC1 ZINC001161700643 866906998 /nfs/dbraw/zinc/90/69/98/866906998.db2.gz OFULSYVFZNOOBF-UHFFFAOYSA-N 1 0 318.381 1.521 20 5 DDBDRO COc1cc([N+](=O)[O-])cnc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC001333710521 866954349 /nfs/dbraw/zinc/95/43/49/866954349.db2.gz LHTNYPBFYRVNIE-DGCLKSJQSA-N 1 0 306.366 1.919 20 5 DDBDRO CC1(C)C[NH2+]C[C@H](CNc2ncc([N+](=O)[O-])cc2Cl)O1 ZINC001161950800 867133689 /nfs/dbraw/zinc/13/36/89/867133689.db2.gz NTXBFBUCXGYRHH-SECBINFHSA-N 1 0 300.746 1.822 20 5 DDBDRO CC1(C)C[NH2+]C[C@H](CNc2cc(Cl)ncc2[N+](=O)[O-])O1 ZINC001161954057 867138941 /nfs/dbraw/zinc/13/89/41/867138941.db2.gz LCPCBBMEQKGEBK-MRVPVSSYSA-N 1 0 300.746 1.822 20 5 DDBDRO COCCC1([NH3+])CCN(c2nc(C)cc(C)c2[N+](=O)[O-])CC1 ZINC001162041919 867211393 /nfs/dbraw/zinc/21/13/93/867211393.db2.gz SDBQMQHDPJGKHG-UHFFFAOYSA-N 1 0 308.382 1.941 20 5 DDBDRO Cc1nc(Cl)nc(-n2c(C[NH3+])nc3cnccc32)c1[N+](=O)[O-] ZINC001162213991 867342303 /nfs/dbraw/zinc/34/23/03/867342303.db2.gz AUSLKVSIOHFXPF-UHFFFAOYSA-N 1 0 319.712 1.539 20 5 DDBDRO CCOC(=O)c1cnc(N[C@H]2CCC[C@@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC001162390981 867506108 /nfs/dbraw/zinc/50/61/08/867506108.db2.gz KSMMNJZOGZPERE-MNOVXSKESA-N 1 0 308.338 1.848 20 5 DDBDRO C[C@H]1C[NH2+]CCC[C@@H]1CNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC001162452117 867544488 /nfs/dbraw/zinc/54/44/88/867544488.db2.gz AYNCCIHOOGCNKH-VHSXEESVSA-N 1 0 307.354 1.136 20 5 DDBDRO COc1nc(Nc2ccc(C[NH3+])c(F)c2)nc(OC)c1[N+](=O)[O-] ZINC001162525239 867609415 /nfs/dbraw/zinc/60/94/15/867609415.db2.gz LTNRMWGTWSIQIR-UHFFFAOYSA-N 1 0 323.284 1.743 20 5 DDBDRO O=[N+]([O-])c1cc(Cl)[n+]([O-])cc1NC[C@@]1(F)CCCC[NH2+]C1 ZINC001162574564 867653157 /nfs/dbraw/zinc/65/31/57/867653157.db2.gz ZVNNVBWWBFZJDC-GFCCVEGCSA-N 1 0 318.736 1.775 20 5 DDBDRO CC(=O)Nc1ccc(N[C@H]2COCCC23C[NH2+]C3)cc1[N+](=O)[O-] ZINC001163078410 868061142 /nfs/dbraw/zinc/06/11/42/868061142.db2.gz AEWMJCAYDUPTFM-AWEZNQCLSA-N 1 0 320.349 1.344 20 5 DDBDRO COc1cc([N+](=O)[O-])cnc1NCC[C@@H]1CCOC12C[NH2+]C2 ZINC001163079595 868063571 /nfs/dbraw/zinc/06/35/71/868063571.db2.gz BZQSTFXKTOADAV-SNVBAGLBSA-N 1 0 308.338 1.179 20 5 DDBDRO CNc1cc([N+](=O)[O-])cnc1NCC[C@H]1CCOC12C[NH2+]C2 ZINC001163088421 868075636 /nfs/dbraw/zinc/07/56/36/868075636.db2.gz YZDCIKMWCRPQHN-JTQLQIEISA-N 1 0 307.354 1.212 20 5 DDBDRO O=[N+]([O-])c1cc(F)ccc1N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC001335117120 868076564 /nfs/dbraw/zinc/07/65/64/868076564.db2.gz KNCAUYVTBUACJQ-STQMWFEESA-N 1 0 309.341 1.769 20 5 DDBDRO O=[N+]([O-])c1c(Cl)ncnc1NCc1noc2c1C[NH2+]CC2 ZINC001163124460 868128147 /nfs/dbraw/zinc/12/81/47/868128147.db2.gz NWOYIBLGYRUYPN-UHFFFAOYSA-N 1 0 310.701 1.284 20 5 DDBDRO O=C1C[C@H]2[NH2+]CC[C@]2(Nc2cc(Cl)ccc2/C=C/[N+](=O)[O-])N1 ZINC001163253615 868262563 /nfs/dbraw/zinc/26/25/63/868262563.db2.gz LZBGJCLZXBXTFB-CIYRCRHJSA-N 1 0 322.752 1.577 20 5 DDBDRO Cc1c[n+]([O-])c(NC[C@H]2CO[C@]3(C2)CCC[NH2+]C3)cc1[N+](=O)[O-] ZINC001163268777 868285677 /nfs/dbraw/zinc/28/56/77/868285677.db2.gz FHUPAKIJLZDHDL-WFASDCNBSA-N 1 0 322.365 1.107 20 5 DDBDRO C[C@H]1CCN(CC[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC001335443215 868301633 /nfs/dbraw/zinc/30/16/33/868301633.db2.gz DQZUHENHIFOPGC-KBPBESRZSA-N 1 0 323.393 1.266 20 5 DDBDRO Cc1cnc(NC[C@H]2CO[C@]3(C2)CCC[NH2+]C3)cc1[N+](=O)[O-] ZINC001163283305 868305746 /nfs/dbraw/zinc/30/57/46/868305746.db2.gz FOCBHTANJWGFKR-WFASDCNBSA-N 1 0 306.366 1.869 20 5 DDBDRO COc1ccnc(N[C@H]2CCO[C@@]3(CC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC001163304313 868329989 /nfs/dbraw/zinc/32/99/89/868329989.db2.gz HOBJXCJTWIJYPH-HZMBPMFUSA-N 1 0 308.338 1.321 20 5 DDBDRO Cn1cc([N+](=O)[O-])c(NC2CCN(c3cc[nH+]cc3)CC2)n1 ZINC001164364917 869153542 /nfs/dbraw/zinc/15/35/42/869153542.db2.gz RIHDWTGTMJDJPJ-UHFFFAOYSA-N 1 0 302.338 1.804 20 5 DDBDRO [NH3+]C1([C@@H]2CN(c3cc([N+](=O)[O-])c4cc[nH]c4n3)C[C@H]2CF)CC1 ZINC001165434730 869597620 /nfs/dbraw/zinc/59/76/20/869597620.db2.gz SAUMGWPVKMIKOQ-MWLCHTKSSA-N 1 0 319.340 1.984 20 5 DDBDRO CS[C@@H]1CN(c2cc(N)c([N+](=O)[O-])cn2)C[C@H]1[NH+]1CCCC1 ZINC001337830207 869648941 /nfs/dbraw/zinc/64/89/41/869648941.db2.gz HSMNTUIHXQSRBR-CHWSQXEVSA-N 1 0 323.422 1.588 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001337837205 869651036 /nfs/dbraw/zinc/65/10/36/869651036.db2.gz YYQGGKGDUZPYOX-ZLKJLUDKSA-N 1 0 304.350 1.368 20 5 DDBDRO COc1cc(CCNc2cc(N)ncn2)c([N+](=O)[O-])cc1OC ZINC001338592434 870061345 /nfs/dbraw/zinc/06/13/45/870061345.db2.gz SCNUTQSMPMFTFH-UHFFFAOYSA-N 1 0 319.321 1.639 20 5 DDBDRO [NH3+][C@@H]1CCN(c2ncnc3ccc([N+](=O)[O-])cc32)CC1(F)F ZINC001166962892 870427477 /nfs/dbraw/zinc/42/74/77/870427477.db2.gz ZIOLUZYGCFBYFM-LLVKDONJSA-N 1 0 309.276 1.711 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(O[C@H]2C[C@@H]3CC(=O)C[C@H]2N3C)c1 ZINC001226443545 882434465 /nfs/dbraw/zinc/43/44/65/882434465.db2.gz XWBRNLVRLWEXJB-FZZIBODNSA-N 1 0 306.318 1.786 20 5 DDBDRO CNC(=O)C1CCC([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC001308228160 871481959 /nfs/dbraw/zinc/48/19/59/871481959.db2.gz FUYRPGCPWORVCC-UHFFFAOYSA-N 1 0 321.377 1.998 20 5 DDBDRO Cc1ccc(C[NH2+]CCNC(=O)c2ccn[nH]2)cc1[N+](=O)[O-] ZINC001308345354 871492819 /nfs/dbraw/zinc/49/28/19/871492819.db2.gz PHSRKYIQAQVFCN-UHFFFAOYSA-N 1 0 303.322 1.146 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)[NH2+]C[C@@H]2CCCOC2)cc1 ZINC001308513756 871507428 /nfs/dbraw/zinc/50/74/28/871507428.db2.gz PZPMHUWXXPTWQE-NILFDRSVSA-N 1 0 310.350 1.005 20 5 DDBDRO COc1c(O)ccc(C[NH2+]CC(O)(C2CC2)C2CC2)c1[N+](=O)[O-] ZINC001308866887 871533263 /nfs/dbraw/zinc/53/32/63/871533263.db2.gz YKBUQHACXYNLDC-UHFFFAOYSA-N 1 0 322.361 1.950 20 5 DDBDRO O=C([C@@H]1[NH2+]CC12CCOCC2)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001341294380 871594510 /nfs/dbraw/zinc/59/45/10/871594510.db2.gz YLXMAKZBWKTCSP-AWEZNQCLSA-N 1 0 317.345 1.206 20 5 DDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C[C@@]1(O)CCC[NH2+]C1 ZINC001341432541 871658802 /nfs/dbraw/zinc/65/88/02/871658802.db2.gz RPIAILYUAXCRRK-HNNXBMFYSA-N 1 0 307.350 1.058 20 5 DDBDRO [NH3+]C[C@@]12CC[C@@H]1CCN2C(=O)COc1cccc([N+](=O)[O-])c1 ZINC001341480476 871675592 /nfs/dbraw/zinc/67/55/92/871675592.db2.gz CQISYGDUBDBYMW-ABAIWWIYSA-N 1 0 305.334 1.313 20 5 DDBDRO C[NH+](C)[C@H]1CCCC[C@@H]1Nc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC001318371605 871966121 /nfs/dbraw/zinc/96/61/21/871966121.db2.gz PPQNVFBSLSVCPW-AAEUAGOBSA-N 1 0 306.366 1.978 20 5 DDBDRO C[NH2+]CCN(C(=O)CCn1nc(C)c([N+](=O)[O-])c1C)C(C)C ZINC001342614647 872294841 /nfs/dbraw/zinc/29/48/41/872294841.db2.gz VJIKWQGFBFJNMW-UHFFFAOYSA-N 1 0 311.386 1.255 20 5 DDBDRO COc1ccc(CC(=O)N2CC[C@@H]3CC[C@@]32C[NH3+])cc1[N+](=O)[O-] ZINC001343127673 872510743 /nfs/dbraw/zinc/51/07/43/872510743.db2.gz ZQXXAOOWYQASSU-BLLLJJGKSA-N 1 0 319.361 1.486 20 5 DDBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCC[C@]12CC[NH2+]C2 ZINC001343157840 872520210 /nfs/dbraw/zinc/52/02/10/872520210.db2.gz BUEWIVWKAYKJQF-IEXSPKMKSA-N 1 0 301.346 1.963 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NCC[C@@H]1CCC[NH2+]CC1 ZINC001343676775 872714252 /nfs/dbraw/zinc/71/42/52/872714252.db2.gz ORAYUTGDYPHNAW-GFCCVEGCSA-N 1 0 306.366 1.808 20 5 DDBDRO [NH3+][C@@H]1CCCC[C@H]1C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC001346017130 873592450 /nfs/dbraw/zinc/59/24/50/873592450.db2.gz JYSRIXMCLVCOKG-ZIAGYGMSSA-N 1 0 306.366 1.640 20 5 DDBDRO O=c1nc2ccc([N+](=O)[O-])cc2c(O[C@H]2C[NH+]3CCC2CC3)[nH]1 ZINC001227094398 882828320 /nfs/dbraw/zinc/82/83/20/882828320.db2.gz AIDVYLWNQQETDR-ZDUSSCGKSA-N 1 0 316.317 1.717 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H]2COC[C@@H]2C2CC2)c1 ZINC001353379125 877287869 /nfs/dbraw/zinc/28/78/69/877287869.db2.gz ZKIZCELQAUFULP-FVQBIDKESA-N 1 0 322.361 1.349 20 5 DDBDRO O=[N+]([O-])c1ccc(CC[NH2+]CC[C@H]2CCCS2(=O)=O)cc1 ZINC001353607412 877446728 /nfs/dbraw/zinc/44/67/28/877446728.db2.gz WHKNVBPIRDZHLO-CQSZACIVSA-N 1 0 312.391 1.694 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@@H]1CCCC[N@H+]1C ZINC001353895341 877635571 /nfs/dbraw/zinc/63/55/71/877635571.db2.gz TVOYUUWNPPFVLM-LBPRGKRZSA-N 1 0 309.370 1.090 20 5 DDBDRO CCn1c([C@H](C)[N+](=O)[O-])nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001356351076 879007619 /nfs/dbraw/zinc/00/76/19/879007619.db2.gz HLRKSDJGSALRBD-QWHCGFSZSA-N 1 0 322.413 1.700 20 5 DDBDRO CCn1c([C@H](C)[N+](=O)[O-])nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001356351078 879007779 /nfs/dbraw/zinc/00/77/79/879007779.db2.gz HLRKSDJGSALRBD-STQMWFEESA-N 1 0 322.413 1.700 20 5 DDBDRO C[NH2+][C@@H](CNC(=O)c1ccc([N+](=O)[O-])o1)Cc1ccccc1 ZINC001358170135 880356201 /nfs/dbraw/zinc/35/62/01/880356201.db2.gz NPPPHWOPKQGDFN-GFCCVEGCSA-N 1 0 303.318 1.748 20 5 DDBDRO COc1cc(CO[C@@H](C)CN2CCOCC2)cc([N+](=O)[O-])c1 ZINC001223397128 880946851 /nfs/dbraw/zinc/94/68/51/880946851.db2.gz VMDRJYIHAZEIFR-LBPRGKRZSA-N 1 0 310.350 1.841 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC001229376166 883950615 /nfs/dbraw/zinc/95/06/15/883950615.db2.gz FQRYPYPGKGPLMT-SNVBAGLBSA-N 1 0 317.749 1.611 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ncnc2c(F)cccc12 ZINC001230356288 884444955 /nfs/dbraw/zinc/44/49/55/884444955.db2.gz MIFWFTGWXNYXJI-SNVBAGLBSA-N 1 0 308.333 1.132 20 5 DDBDRO COc1ccc(C[C@H](C)N2C[C@H]([NH3+])C[C@H](F)C2)c([N+](=O)[O-])c1 ZINC001246575395 892708536 /nfs/dbraw/zinc/70/85/36/892708536.db2.gz CENDUGSILWKWSJ-WCFLWFBJSA-N 1 0 311.357 1.906 20 5 DDBDRO C[NH+]1CCN(c2ccc(-c3noc(CC[N+](=O)[O-])n3)cc2)CC1 ZINC001247520409 893225978 /nfs/dbraw/zinc/22/59/78/893225978.db2.gz HPQNTGMBABQONA-UHFFFAOYSA-N 1 0 317.349 1.308 20 5 DDBDRO COC(=O)[C@@H](CCC[NH3+])N[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254538500 896494468 /nfs/dbraw/zinc/49/44/68/896494468.db2.gz WFTADSCETGPCEY-WCQYABFASA-N 1 0 309.366 1.396 20 5 DDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CC[NH+]([C@H]2CCOC2)CC1 ZINC001254550560 896498234 /nfs/dbraw/zinc/49/82/34/896498234.db2.gz LSQIVHBUAWKOPN-HOCLYGCPSA-N 1 0 319.405 1.932 20 5 DDBDRO CC(=O)N1C[C@@H]2C[C@]2([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254573092 896507735 /nfs/dbraw/zinc/50/77/35/896507735.db2.gz WOOSWQMQROYVLR-LZWOXQAQSA-N 1 0 301.346 1.272 20 5 DDBDRO COC(=O)[C@@H]1CCC[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254599696 896525358 /nfs/dbraw/zinc/52/53/58/896525358.db2.gz PAFWHLFEUPVTHR-IUODEOHRSA-N 1 0 304.346 1.947 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CCC[C@H](n3cncn3)C1)C2 ZINC001254604344 896527297 /nfs/dbraw/zinc/52/72/97/896527297.db2.gz VUOYQSNAEDPGDC-JKSUJKDBSA-N 1 0 313.361 1.991 20 5 DDBDRO C[C@@H](NC(=O)N[C@@H]1C[NH2+]CC1(C)C)c1ccccc1[N+](=O)[O-] ZINC001262589564 900265073 /nfs/dbraw/zinc/26/50/73/900265073.db2.gz LTMPUPGURUFRNU-ZWNOBZJWSA-N 1 0 306.366 1.953 20 5 DDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@H]1[NH2+]CC12CCOCC2 ZINC001263067159 900479892 /nfs/dbraw/zinc/47/98/92/900479892.db2.gz FXZKVVSMIFPVGA-CQSZACIVSA-N 1 0 319.361 1.322 20 5 DDBDRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC001263130179 900507103 /nfs/dbraw/zinc/50/71/03/900507103.db2.gz MZNRPVAUHHXCRE-GWCFXTLKSA-N 1 0 309.341 1.923 20 5 DDBDRO O=C(CNc1ccccc1[N+](=O)[O-])N1CCC[C@@]12CC[NH2+]C2 ZINC001263259258 900550231 /nfs/dbraw/zinc/55/02/31/900550231.db2.gz ROPWMSRHIWQDGV-HNNXBMFYSA-N 1 0 304.350 1.361 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC001263980017 900853230 /nfs/dbraw/zinc/85/32/30/900853230.db2.gz LEJBWASZLQXSAR-TUKIKUTGSA-N 1 0 303.362 1.973 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CS(=O)(=O)C[C@@H]1C ZINC000449330547 230600024 /nfs/dbraw/zinc/60/00/24/230600024.db2.gz UQLCWYIBYFHALN-DMDPSCGWSA-N 1 0 312.391 1.549 20 5 DDBDRO COC1(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCOCC1 ZINC000278670336 214314356 /nfs/dbraw/zinc/31/43/56/214314356.db2.gz LOOJUMDMLGFPLT-UHFFFAOYSA-N 1 0 320.349 1.756 20 5 DDBDRO C[C@H]1C[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC[N@@H+]1C ZINC000319016654 231177623 /nfs/dbraw/zinc/17/76/23/231177623.db2.gz CPKLVXMJPCGWLS-WPRPVWTQSA-N 1 0 310.329 1.529 20 5 DDBDRO Cc1cc(C(=O)NC[C@H]2CCCC[N@@H+]2CCO)ccc1[N+](=O)[O-] ZINC000452387918 231373743 /nfs/dbraw/zinc/37/37/43/231373743.db2.gz IGRRYVFBYPVOES-CQSZACIVSA-N 1 0 321.377 1.480 20 5 DDBDRO O=[N+]([O-])c1cc(Br)cnc1N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000090322808 185291146 /nfs/dbraw/zinc/29/11/46/185291146.db2.gz ROMUOEWJBPVXIU-YUMQZZPRSA-N 1 0 313.155 1.408 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000090550244 185302434 /nfs/dbraw/zinc/30/24/34/185302434.db2.gz IGPUKPJWPPTCRV-CQSZACIVSA-N 1 0 320.393 1.174 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000090553167 185302753 /nfs/dbraw/zinc/30/27/53/185302753.db2.gz OEXYANWFTKDWMP-AWEZNQCLSA-N 1 0 302.334 1.922 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH+]1CCC(CO)CC1 ZINC000181549351 199315631 /nfs/dbraw/zinc/31/56/31/199315631.db2.gz CGORVJRVIPLWOH-ZDUSSCGKSA-N 1 0 310.350 1.039 20 5 DDBDRO CN(CCCN1CC[NH+](C)CC1)c1ncc([N+](=O)[O-])cc1F ZINC000413141606 529887828 /nfs/dbraw/zinc/88/78/28/529887828.db2.gz KHHKXLMGWWLSFY-UHFFFAOYSA-N 1 0 311.361 1.203 20 5 DDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CCc2ccco2)cc1 ZINC000563882170 303979681 /nfs/dbraw/zinc/97/96/81/303979681.db2.gz ZDDGOPFNVPXZKM-UHFFFAOYSA-N 1 0 324.358 1.794 20 5 DDBDRO C[NH+](C)CC(C)(C)NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000457209643 232014553 /nfs/dbraw/zinc/01/45/53/232014553.db2.gz OONZWPRDKKLPQT-UHFFFAOYSA-N 1 0 308.382 1.853 20 5 DDBDRO CC1(C)OCC[C@@H]1[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000295283857 282364760 /nfs/dbraw/zinc/36/47/60/282364760.db2.gz SVQSONGNAHWAEK-JSGCOSHPSA-N 1 0 310.350 1.492 20 5 DDBDRO Cc1ccc(S(=O)(=O)NC2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000330789890 232069617 /nfs/dbraw/zinc/06/96/17/232069617.db2.gz SHSRGCATPHPISE-UHFFFAOYSA-N 1 0 313.379 1.276 20 5 DDBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]C[C@H]1CC[C@@H](O)C1)OCCO2 ZINC000616094545 362544993 /nfs/dbraw/zinc/54/49/93/362544993.db2.gz BWNUZOMQSAATPO-CMPLNLGQSA-N 1 0 308.334 1.617 20 5 DDBDRO C[C@@H]1C[C@H](NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC[N@@H+]1C ZINC000330889568 232140553 /nfs/dbraw/zinc/14/05/53/232140553.db2.gz BMNRAYCQQARCQI-GHMZBOCLSA-N 1 0 309.370 1.125 20 5 DDBDRO C[C@H]1C[C@H](NC(=O)COc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000330895786 232143155 /nfs/dbraw/zinc/14/31/55/232143155.db2.gz GJWAYHMYYYVHRG-NWDGAFQWSA-N 1 0 307.350 1.573 20 5 DDBDRO Cc1nn(CCC(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000330889532 232139807 /nfs/dbraw/zinc/13/98/07/232139807.db2.gz BJXQGIRQTPTWCZ-GWCFXTLKSA-N 1 0 323.397 1.397 20 5 DDBDRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000358416999 299147125 /nfs/dbraw/zinc/14/71/25/299147125.db2.gz WJTZSBJHICPBPC-FZMZJTMJSA-N 1 0 321.352 1.972 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CC=CCC1 ZINC000279769397 215131263 /nfs/dbraw/zinc/13/12/63/215131263.db2.gz BJBLJOCZBXTMBP-UHFFFAOYSA-N 1 0 318.377 1.653 20 5 DDBDRO C[C@H]1[NH2+]CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)[C@H]1C ZINC000262880915 186318411 /nfs/dbraw/zinc/31/84/11/186318411.db2.gz VXKFNTHHPTUOST-ZJUUUORDSA-N 1 0 311.769 2.000 20 5 DDBDRO C[C@H]1[NH2+]CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000262885731 186318896 /nfs/dbraw/zinc/31/88/96/186318896.db2.gz WLDMWPAYTZXIRS-VXGBXAGGSA-N 1 0 307.350 1.573 20 5 DDBDRO CO[C@@H](C[NH3+])CC(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-] ZINC000262907174 186323328 /nfs/dbraw/zinc/32/33/28/186323328.db2.gz QHRLBSGMUUIWOP-GFCCVEGCSA-N 1 0 324.381 1.185 20 5 DDBDRO CC1(C)CC[C@@H](C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)O1 ZINC000564874361 304022361 /nfs/dbraw/zinc/02/23/61/304022361.db2.gz YTIYCHPTVUZRES-ZFWWWQNUSA-N 1 0 324.377 1.882 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC[C@H](C)[NH+](C)C)c1C ZINC000026857657 352211904 /nfs/dbraw/zinc/21/19/04/352211904.db2.gz VXMVPCLZXUCMOM-JTQLQIEISA-N 1 0 315.395 1.440 20 5 DDBDRO Cc1noc(C2CC[NH+](CCn3cc([N+](=O)[O-])cn3)CC2)n1 ZINC000172722425 198141002 /nfs/dbraw/zinc/14/10/02/198141002.db2.gz MVBXTWFRVMZLJA-UHFFFAOYSA-N 1 0 306.326 1.362 20 5 DDBDRO C[C@H]1CCC[N@H+](CCNC(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000047145556 352484011 /nfs/dbraw/zinc/48/40/11/352484011.db2.gz LLENYMKGDNZZHQ-NSHDSACASA-N 1 0 306.366 1.639 20 5 DDBDRO O=C(/C=C\c1cccc([N+](=O)[O-])c1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000491236701 234111754 /nfs/dbraw/zinc/11/17/54/234111754.db2.gz LFLATDWQKVCQAT-IRBQFCFKSA-N 1 0 301.346 1.961 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC(CC[NH+]3CCOCC3)CC2)nc1 ZINC000064337419 352934512 /nfs/dbraw/zinc/93/45/12/352934512.db2.gz PRAUUYQFTJLANN-UHFFFAOYSA-N 1 0 320.393 1.929 20 5 DDBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000063852158 352927604 /nfs/dbraw/zinc/92/76/04/352927604.db2.gz VXMYXAHCMPQJNL-ZDUSSCGKSA-N 1 0 305.378 1.985 20 5 DDBDRO Cc1ccc(C(=O)NCC2([NH+](C)C)CCOCC2)cc1[N+](=O)[O-] ZINC000073133377 353240047 /nfs/dbraw/zinc/24/00/47/353240047.db2.gz WAXUANVPVZIXSH-UHFFFAOYSA-N 1 0 321.377 1.744 20 5 DDBDRO C[C@@H](C(=O)N(C)C)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174241173 198309501 /nfs/dbraw/zinc/30/95/01/198309501.db2.gz YMNOKXJDXXXOPI-LBPRGKRZSA-N 1 0 321.377 1.915 20 5 DDBDRO Cc1ncc(C[N@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)s1 ZINC000174738275 198377898 /nfs/dbraw/zinc/37/78/98/198377898.db2.gz OKLAZSYZRVYCJF-NSHDSACASA-N 1 0 311.367 1.049 20 5 DDBDRO CC[NH+]1CCN([C@@H](C)CNc2ncc(C)cc2[N+](=O)[O-])CC1 ZINC000078630665 353526284 /nfs/dbraw/zinc/52/62/84/353526284.db2.gz JLWQZJYKHWNDOR-ZDUSSCGKSA-N 1 0 307.398 1.736 20 5 DDBDRO O=[N+]([O-])c1cccc(OCC[NH+]2CCC(c3nnc[nH]3)CC2)c1 ZINC000083444804 353710049 /nfs/dbraw/zinc/71/00/49/353710049.db2.gz OTQDKALIYVNGJR-UHFFFAOYSA-N 1 0 317.349 1.971 20 5 DDBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000176875154 198631929 /nfs/dbraw/zinc/63/19/29/198631929.db2.gz ZYWSWBALYKUTNY-CQSZACIVSA-N 1 0 323.393 1.990 20 5 DDBDRO C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000346192524 283017400 /nfs/dbraw/zinc/01/74/00/283017400.db2.gz NLMHDWPAINVCFG-GARJFASQSA-N 1 0 307.354 1.120 20 5 DDBDRO CC[N@@H+]1C[C@H](C)N(c2cc(N)c([N+](=O)[O-])c(CO)c2)C[C@@H]1C ZINC000588009277 354893365 /nfs/dbraw/zinc/89/33/65/354893365.db2.gz DSMJUAXWGLCCQJ-QWRGUYRKSA-N 1 0 308.382 1.588 20 5 DDBDRO C[N@@H+]1CC[C@]2(CCN(c3cc(N)c([N+](=O)[O-])c(CO)c3)C2)C1 ZINC000589879248 355028718 /nfs/dbraw/zinc/02/87/18/355028718.db2.gz WLZNZBRYIADHQN-HNNXBMFYSA-N 1 0 306.366 1.201 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCC2(C[NH+](C)C2)C1 ZINC000590538115 355109193 /nfs/dbraw/zinc/10/91/93/355109193.db2.gz JRDJSEQPJZXAHU-UHFFFAOYSA-N 1 0 319.361 1.771 20 5 DDBDRO O=[N+]([O-])c1cncc(Cl)c1NC[C@@H](O)C[NH+]1CCCCC1 ZINC000590573387 355117759 /nfs/dbraw/zinc/11/77/59/355117759.db2.gz YEJRSBDTYISLPG-SNVBAGLBSA-N 1 0 314.773 1.324 20 5 DDBDRO C[N@@H+]1CCC[C@@H](NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000590631900 355133836 /nfs/dbraw/zinc/13/38/36/355133836.db2.gz FFAQWNMULUELII-CYBMUJFWSA-N 1 0 319.361 1.768 20 5 DDBDRO CCc1ccc(C(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000590776517 355176314 /nfs/dbraw/zinc/17/63/14/355176314.db2.gz INXICYCJDJFKRV-DZGCQCFKSA-N 1 0 303.362 1.933 20 5 DDBDRO Cc1c(CNC(=O)N[C@H]2CCC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000591357041 355298567 /nfs/dbraw/zinc/29/85/67/355298567.db2.gz JOGVFHNNRXKPGE-ZDUSSCGKSA-N 1 0 306.366 1.845 20 5 DDBDRO Cc1c(CNC(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)cccc1[N+](=O)[O-] ZINC000591357038 355298693 /nfs/dbraw/zinc/29/86/93/355298693.db2.gz FIEHPVIUGQWQRR-OCCSQVGLSA-N 1 0 318.377 1.797 20 5 DDBDRO C[NH+](C)C1(CNCc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000591357445 355299047 /nfs/dbraw/zinc/29/90/47/355299047.db2.gz PFAGHLARGVXPLV-UHFFFAOYSA-N 1 0 307.350 1.550 20 5 DDBDRO [NH3+]C/C=C\CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000591360964 355301595 /nfs/dbraw/zinc/30/15/95/355301595.db2.gz RCJFISRTYAOTGD-ARJAWSKDSA-N 1 0 304.350 1.784 20 5 DDBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1C[C@H](F)CN1 ZINC000591579971 355330404 /nfs/dbraw/zinc/33/04/04/355330404.db2.gz CANMMXMXMLDAPC-GVXVVHGQSA-N 1 0 324.356 1.602 20 5 DDBDRO C[C@@H]1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C[C@H]1C[NH3+] ZINC000591587024 355330810 /nfs/dbraw/zinc/33/08/10/355330810.db2.gz KTYWZPXYWWXASG-NXEZZACHSA-N 1 0 321.333 1.380 20 5 DDBDRO COc1ccc(NC(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000591297599 355283484 /nfs/dbraw/zinc/28/34/84/355283484.db2.gz ARAJHMRKGMICAG-NOZJJQNGSA-N 1 0 324.337 1.183 20 5 DDBDRO C[C@H]1CCCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C[NH3+] ZINC000591676238 355359977 /nfs/dbraw/zinc/35/99/77/355359977.db2.gz HHLLSGDLZRTROG-CABZTGNLSA-N 1 0 321.333 1.523 20 5 DDBDRO Cc1cc([N+](=O)[O-])cnc1N1CCOC2(CC[NH+](C)CC2)C1 ZINC000591992950 355455954 /nfs/dbraw/zinc/45/59/54/355455954.db2.gz IQAOJXQKNZZJCS-UHFFFAOYSA-N 1 0 306.366 1.599 20 5 DDBDRO CC[C@H]1CN(C(=O)c2ccc(NC)c([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000592332328 355561035 /nfs/dbraw/zinc/56/10/35/355561035.db2.gz WOKUIUCFNRBELN-JQWIXIFHSA-N 1 0 306.366 1.836 20 5 DDBDRO Cc1c(CC(=O)N2CC[NH2+][C@@H](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000592243009 355546129 /nfs/dbraw/zinc/54/61/29/355546129.db2.gz YMCVSVYGWJRARO-CQSZACIVSA-N 1 0 305.378 1.902 20 5 DDBDRO C[C@@H]([NH3+])CNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000592333825 355561742 /nfs/dbraw/zinc/56/17/42/355561742.db2.gz UGZHHVFBHFNCGK-SSDOTTSWSA-N 1 0 321.255 1.613 20 5 DDBDRO C[C@@H]([NH3+])CNC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000592334096 355561858 /nfs/dbraw/zinc/56/18/58/355561858.db2.gz YPBPCRAQSOYJKT-SECBINFHSA-N 1 0 303.322 1.072 20 5 DDBDRO CC[C@@H]1CN(CC(=O)Nc2c(C)cccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000592485581 355596050 /nfs/dbraw/zinc/59/60/50/355596050.db2.gz IWPWZQIQDAVJDH-OLZOCXBDSA-N 1 0 320.393 1.901 20 5 DDBDRO CC1([NH3+])CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000592378825 355570362 /nfs/dbraw/zinc/57/03/62/355570362.db2.gz FZUXGQBXHZNHCS-UHFFFAOYSA-N 1 0 313.379 1.238 20 5 DDBDRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000592543541 355622647 /nfs/dbraw/zinc/62/26/47/355622647.db2.gz FXUUTKBHRKHUGG-BDAKNGLRSA-N 1 0 307.306 1.323 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[NH2+]C23CCCC3)n1 ZINC000592569734 355632522 /nfs/dbraw/zinc/63/25/22/355632522.db2.gz CLBVDFKAABGGME-NSHDSACASA-N 1 0 307.354 1.216 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(CN2C[C@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000593018890 355771207 /nfs/dbraw/zinc/77/12/07/355771207.db2.gz BRLLJQBFZKGJGX-NWDGAFQWSA-N 1 0 321.377 1.906 20 5 DDBDRO COC[C@@H]1C[C@@H](O)C[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000593060994 355783800 /nfs/dbraw/zinc/78/38/00/355783800.db2.gz MMBVZCKYSCOZFC-UONOGXRCSA-N 1 0 310.350 1.445 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1[C@H](C)C[N@H+](C)[C@@H](C)[C@H]1C ZINC000593187604 355820052 /nfs/dbraw/zinc/82/00/52/355820052.db2.gz MKHPHXODYNUZKI-ADEWGFFLSA-N 1 0 306.366 1.851 20 5 DDBDRO CC[N@@H+]1CC[C@@H](CNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000593414967 355878208 /nfs/dbraw/zinc/87/82/08/355878208.db2.gz HLEDRYYSONNNKN-NSHDSACASA-N 1 0 309.341 1.734 20 5 DDBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593519672 355912095 /nfs/dbraw/zinc/91/20/95/355912095.db2.gz AOBQPXFRMSGWTM-HZMBPMFUSA-N 1 0 321.352 1.875 20 5 DDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])NCCC1CC[NH2+]CC1 ZINC000593706958 355972772 /nfs/dbraw/zinc/97/27/72/355972772.db2.gz VFAAYHLDCMFGKV-UHFFFAOYSA-N 1 0 320.393 1.826 20 5 DDBDRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 ZINC000593911217 356055400 /nfs/dbraw/zinc/05/54/00/356055400.db2.gz FZBRLNLJIJWSSF-DMDPSCGWSA-N 1 0 322.365 1.281 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000593917883 356059580 /nfs/dbraw/zinc/05/95/80/356059580.db2.gz ZLVCNNNXSCMACN-ZYHUDNBSSA-N 1 0 309.370 1.076 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000594094116 356111125 /nfs/dbraw/zinc/11/11/25/356111125.db2.gz HCCSTJJEKKQJJL-QWHCGFSZSA-N 1 0 320.349 1.186 20 5 DDBDRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000594105935 356115112 /nfs/dbraw/zinc/11/51/12/356115112.db2.gz JCPIWHHRKHEFDH-BJHJDKERSA-N 1 0 307.350 1.430 20 5 DDBDRO C[C@@H](C(=O)N(C)CCc1cccc([N+](=O)[O-])c1)[NH+]1CC(C)C1 ZINC000594356294 356181095 /nfs/dbraw/zinc/18/10/95/356181095.db2.gz WUFOJKRPMSNCCJ-ZDUSSCGKSA-N 1 0 305.378 1.936 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H](CO)[C@@H]1CCOC1 ZINC000595055152 356377451 /nfs/dbraw/zinc/37/74/51/356377451.db2.gz UCFYIRKTLJWLEM-YNEHKIRRSA-N 1 0 324.377 1.899 20 5 DDBDRO Cc1ccc(S(=O)(=O)N(C)CC(C)(C)[NH3+])cc1[N+](=O)[O-] ZINC000595116714 356384622 /nfs/dbraw/zinc/38/46/22/356384622.db2.gz ZBAYNGLMHVHFQJ-UHFFFAOYSA-N 1 0 301.368 1.261 20 5 DDBDRO C[NH2+]C[C@H](C)NS(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000595119423 356385135 /nfs/dbraw/zinc/38/51/35/356385135.db2.gz UCGYGOSRPJZSAP-JTQLQIEISA-N 1 0 301.368 1.098 20 5 DDBDRO [NH3+]C1(CNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000595119549 356385190 /nfs/dbraw/zinc/38/51/90/356385190.db2.gz GGMQBXYBFCLDTG-UHFFFAOYSA-N 1 0 313.379 1.286 20 5 DDBDRO CC(C)[C@H]([NH3+])CC[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000595120606 356386057 /nfs/dbraw/zinc/38/60/57/356386057.db2.gz JGGOPRWYUUSUGP-SNVBAGLBSA-N 1 0 319.358 1.386 20 5 DDBDRO CCCc1n[nH]c(C(=O)N[C@H](C[NH3+])C2CCCCC2)c1[N+](=O)[O-] ZINC000236885030 202051457 /nfs/dbraw/zinc/05/14/57/202051457.db2.gz PCWHYUYEDZBTRB-GFCCVEGCSA-N 1 0 323.397 1.908 20 5 DDBDRO C[C@@H]1C[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1O ZINC000595740201 356630094 /nfs/dbraw/zinc/63/00/94/356630094.db2.gz DFTCKFNHQOIWSC-VXGBXAGGSA-N 1 0 321.377 1.872 20 5 DDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000595836634 356672763 /nfs/dbraw/zinc/67/27/63/356672763.db2.gz XOVZGFKYJLBIMI-JHJVBQTASA-N 1 0 319.361 1.890 20 5 DDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC2CC1(C[NH3+])C2 ZINC000595911755 356702188 /nfs/dbraw/zinc/70/21/88/356702188.db2.gz WTHDFSRNPKNMGG-RWWNRMGGSA-N 1 0 304.350 1.345 20 5 DDBDRO CSc1ccc(C(=O)NCC23CC(C2)C[NH2+]3)cc1[N+](=O)[O-] ZINC000595951227 356719917 /nfs/dbraw/zinc/71/99/17/356719917.db2.gz OEGWQRYPRKAFGR-UHFFFAOYSA-N 1 0 307.375 1.799 20 5 DDBDRO CC1(C)CC[NH2+][C@@H]1C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000595954515 356721718 /nfs/dbraw/zinc/72/17/18/356721718.db2.gz VBDMSZUKJPZCCY-CYBMUJFWSA-N 1 0 321.381 1.343 20 5 DDBDRO Cc1c(C[NH3+])c(NC(=O)Cc2cccc([N+](=O)[O-])c2C)nn1C ZINC000595960545 356724621 /nfs/dbraw/zinc/72/46/21/356724621.db2.gz WDOBAOJITMAKAR-UHFFFAOYSA-N 1 0 317.349 1.585 20 5 DDBDRO Nc1ccc(N2CCN(c3cc[nH+]cc3)CC2)nc1[N+](=O)[O-] ZINC000596064423 356758614 /nfs/dbraw/zinc/75/86/14/356758614.db2.gz VPYURMJOTYWHTQ-UHFFFAOYSA-N 1 0 300.322 1.294 20 5 DDBDRO CN(C(=O)COc1ccc([N+](=O)[O-])cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000237209188 202189910 /nfs/dbraw/zinc/18/99/10/202189910.db2.gz GXMYPHDSZYOOIH-ONXXMXGDSA-N 1 0 319.361 1.715 20 5 DDBDRO CN(C(=O)Cc1ccccc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000237212458 202191588 /nfs/dbraw/zinc/19/15/88/202191588.db2.gz GUOGBVIKZDJWNI-PBWFPOADSA-N 1 0 303.362 1.879 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N(C)CC1C[NH+](C)C1 ZINC000596842103 356991209 /nfs/dbraw/zinc/99/12/09/356991209.db2.gz BZUGSHJFCQZIPU-UHFFFAOYSA-N 1 0 308.338 1.629 20 5 DDBDRO COC(=O)[C@@H]1OCC[C@@H]1[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000597188648 357088149 /nfs/dbraw/zinc/08/81/49/357088149.db2.gz XTZAERAYLBQSAN-CORIIIEPSA-N 1 0 322.361 1.836 20 5 DDBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCC(O)(CO)CC1 ZINC000597205275 357091732 /nfs/dbraw/zinc/09/17/32/357091732.db2.gz HWWDCIKOUBAQQA-UKTHLTGXSA-N 1 0 306.362 1.817 20 5 DDBDRO C[C@]1(NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC[NH2+]C1 ZINC000597430872 357173327 /nfs/dbraw/zinc/17/33/27/357173327.db2.gz ARIPNXSDYXHESA-INIZCTEOSA-N 1 0 320.393 1.969 20 5 DDBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@H]1CC12CC[NH2+]CC2 ZINC000597441689 357177162 /nfs/dbraw/zinc/17/71/62/357177162.db2.gz SWWIYDSIDMMUET-AWEZNQCLSA-N 1 0 318.377 1.579 20 5 DDBDRO C[NH+](C)CC1CN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000597707270 357294971 /nfs/dbraw/zinc/29/49/71/357294971.db2.gz BYMAVYRRXAVULD-UHFFFAOYSA-N 1 0 316.361 1.570 20 5 DDBDRO CCN(C(=O)c1ccc(OC)c([N+](=O)[O-])c1)[C@H]1CC[N@H+](C)C1 ZINC000597947446 357396295 /nfs/dbraw/zinc/39/62/95/357396295.db2.gz YKUZYVZJNKPYNH-LBPRGKRZSA-N 1 0 307.350 1.770 20 5 DDBDRO Cc1cc(OCC(=O)NCC[C@H](C)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000597992046 357408246 /nfs/dbraw/zinc/40/82/46/357408246.db2.gz IYBOTHVWGKCNRT-LBPRGKRZSA-N 1 0 309.366 1.738 20 5 DDBDRO COc1cc(C(=O)NCC[C@@H](C)[NH+](C)C)cc([N+](=O)[O-])c1C ZINC000597994454 357410360 /nfs/dbraw/zinc/41/03/60/357410360.db2.gz YPWYGYAQQKFHSV-SNVBAGLBSA-N 1 0 309.366 1.982 20 5 DDBDRO COC(=O)c1ccnc(NC[C@H](C)C[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000598589297 357643368 /nfs/dbraw/zinc/64/33/68/357643368.db2.gz HULNDZIJQQYBMI-NSHDSACASA-N 1 0 322.365 1.920 20 5 DDBDRO CC[N@H+](CCNc1nccc(C(=O)OC)c1[N+](=O)[O-])C1CC1 ZINC000598593402 357645608 /nfs/dbraw/zinc/64/56/08/357645608.db2.gz SKOVFUFRUIOAJL-UHFFFAOYSA-N 1 0 308.338 1.673 20 5 DDBDRO COC(=O)c1ccnc(NC[C@H](C2CC2)[NH+](C)C)c1[N+](=O)[O-] ZINC000598594948 357646348 /nfs/dbraw/zinc/64/63/48/357646348.db2.gz OVQGDYDBZVKWKJ-LLVKDONJSA-N 1 0 308.338 1.529 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000598668628 357678266 /nfs/dbraw/zinc/67/82/66/357678266.db2.gz CKYGGRFWZHEAGF-MEBBXXQBSA-N 1 0 305.334 1.557 20 5 DDBDRO Cc1ccc(S(=O)(=O)N[C@H](C)[C@H](C)[NH3+])c(C)c1[N+](=O)[O-] ZINC000598713292 357700685 /nfs/dbraw/zinc/70/06/85/357700685.db2.gz AHPTXWJQXNBLEO-VHSXEESVSA-N 1 0 301.368 1.226 20 5 DDBDRO C[NH2+][C@H]1CCN(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)C1 ZINC000598716939 357702625 /nfs/dbraw/zinc/70/26/25/357702625.db2.gz XEYKANXYRXKDGS-NSHDSACASA-N 1 0 313.379 1.194 20 5 DDBDRO C[NH+](C)CCNC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000598957067 357775680 /nfs/dbraw/zinc/77/56/80/357775680.db2.gz HIGCWDPHROYJAX-UHFFFAOYSA-N 1 0 316.155 1.649 20 5 DDBDRO CN1CCC[C@H]1C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000599087877 357811325 /nfs/dbraw/zinc/81/13/25/357811325.db2.gz NBKUJHWAJQTXOG-MELADBBJSA-N 1 0 307.398 1.959 20 5 DDBDRO CC[C@@H]1[NH2+]CC[C@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000599102248 357816107 /nfs/dbraw/zinc/81/61/07/357816107.db2.gz PYFWVJPKXDWDGF-WDEREUQCSA-N 1 0 313.379 1.322 20 5 DDBDRO C[NH+](C)CCNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599832624 358067914 /nfs/dbraw/zinc/06/79/14/358067914.db2.gz GRFOCHCSIXWWFL-UHFFFAOYSA-N 1 0 303.322 1.826 20 5 DDBDRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)CSc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000599988538 358097153 /nfs/dbraw/zinc/09/71/53/358097153.db2.gz HHUBDGFESSXJAP-NHAGDIPZSA-N 1 0 321.402 1.705 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000599991177 358097810 /nfs/dbraw/zinc/09/78/10/358097810.db2.gz CBDPNOKFGQJCNU-NHAGDIPZSA-N 1 0 303.362 1.844 20 5 DDBDRO C[C@@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C)c1ccc([N+](=O)[O-])cc1F ZINC000599991497 358097828 /nfs/dbraw/zinc/09/78/28/358097828.db2.gz IBRWMNGHHLUFHI-JWFUOXDNSA-N 1 0 321.352 1.856 20 5 DDBDRO Cc1c([C@@H](C)[NH2+]CCNC(=O)c2ccn[nH]2)cccc1[N+](=O)[O-] ZINC000180218442 199132344 /nfs/dbraw/zinc/13/23/44/199132344.db2.gz CEVNMJVPPGHLCE-LLVKDONJSA-N 1 0 317.349 1.707 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000600309483 358191766 /nfs/dbraw/zinc/19/17/66/358191766.db2.gz AISYIBJKKWDQPM-LBPRGKRZSA-N 1 0 306.366 1.760 20 5 DDBDRO O=C(NCC[N@H+]1CC[C@@H](O)C1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000600533312 358249920 /nfs/dbraw/zinc/24/99/20/358249920.db2.gz KNBQDRMXMPJFOQ-SECBINFHSA-N 1 0 313.741 1.045 20 5 DDBDRO O=[N+]([O-])c1ccc(OC(F)F)c(CNC[C@H]2COCC[NH2+]2)c1 ZINC000600677246 358280240 /nfs/dbraw/zinc/28/02/40/358280240.db2.gz CWZAPKYVJPKINT-JTQLQIEISA-N 1 0 317.292 1.274 20 5 DDBDRO CC[NH+]1CCN([C@@H]2CCN(c3ccncc3[N+](=O)[O-])C2)CC1 ZINC000358906394 299276168 /nfs/dbraw/zinc/27/61/68/299276168.db2.gz NHZATPZTYUTITN-CYBMUJFWSA-N 1 0 305.382 1.206 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[NH2+]C[C@H]1C(C)C ZINC000600714415 358291714 /nfs/dbraw/zinc/29/17/14/358291714.db2.gz LWDNDLAVQSWZOH-AWEZNQCLSA-N 1 0 320.393 1.772 20 5 DDBDRO C[C@@H]1CN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)[C@@H](C)C[NH2+]1 ZINC000237406166 202257018 /nfs/dbraw/zinc/25/70/18/202257018.db2.gz GJQPYLVMNOGMGN-OLZOCXBDSA-N 1 0 320.393 1.996 20 5 DDBDRO O=C(CC[NH2+]C[C@@H](O)[C@H]1CCCO1)Nc1ccccc1[N+](=O)[O-] ZINC000600760326 358310307 /nfs/dbraw/zinc/31/03/07/358310307.db2.gz UZDHKYIJIOMVLI-ZIAGYGMSSA-N 1 0 323.349 1.053 20 5 DDBDRO CN1CC[C@@H]([NH+]2CCC(Nc3ccc([N+](=O)[O-])nc3)CC2)C1=O ZINC000601178000 358435334 /nfs/dbraw/zinc/43/53/34/358435334.db2.gz HPFFXWSWPOUYMV-CYBMUJFWSA-N 1 0 319.365 1.097 20 5 DDBDRO CN1CC[C@@H]([NH+]2CCC(Nc3ccc([N+](=O)[O-])cc3)CC2)C1=O ZINC000601177363 358435437 /nfs/dbraw/zinc/43/54/37/358435437.db2.gz UMNFQBXEAYAVIN-OAHLLOKOSA-N 1 0 318.377 1.702 20 5 DDBDRO C[NH+](C)C1(CNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000601448433 358558054 /nfs/dbraw/zinc/55/80/54/358558054.db2.gz GSPBMJFTNJWQTJ-UHFFFAOYSA-N 1 0 313.379 1.108 20 5 DDBDRO O=C(COc1cccc([N+](=O)[O-])c1)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000601972155 358759165 /nfs/dbraw/zinc/75/91/65/358759165.db2.gz DWJUMENGZOXPHK-ABAIWWIYSA-N 1 0 305.334 1.232 20 5 DDBDRO CC1(C)C[NH2+]CC[C@H](NC(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000601978259 358763587 /nfs/dbraw/zinc/76/35/87/358763587.db2.gz WXDVPANPZIABRM-LBPRGKRZSA-N 1 0 320.393 1.901 20 5 DDBDRO C[NH+](C)[C@H]1C[C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000602174787 358864321 /nfs/dbraw/zinc/86/43/21/358864321.db2.gz UQRDJXAZQYOKNI-KBPBESRZSA-N 1 0 305.378 1.982 20 5 DDBDRO COc1ccc(C(=O)N2CC[NH2+]C[C@@H]2C(C)C)cc1[N+](=O)[O-] ZINC000602531544 359030466 /nfs/dbraw/zinc/03/04/66/359030466.db2.gz UPEYAHJOALHHDI-CYBMUJFWSA-N 1 0 307.350 1.673 20 5 DDBDRO CCN(CC[NH3+])C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000602534688 359031601 /nfs/dbraw/zinc/03/16/01/359031601.db2.gz JFJCTFZMYQFIMB-UHFFFAOYSA-N 1 0 316.155 1.778 20 5 DDBDRO CNC(=O)CC[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602533367 359032114 /nfs/dbraw/zinc/03/21/14/359032114.db2.gz XJKSAONHKGCHCK-UHFFFAOYSA-N 1 0 305.256 1.839 20 5 DDBDRO O=C(NC[C@H]1COCC[NH2+]1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000602551488 359041413 /nfs/dbraw/zinc/04/14/13/359041413.db2.gz OLJBMOZZWLEWDG-ZDUSSCGKSA-N 1 0 319.361 1.121 20 5 DDBDRO COc1ccc(CC(=O)N[C@H]2CC[C@H](C)[NH2+]C2)cc1[N+](=O)[O-] ZINC000602553365 359042388 /nfs/dbraw/zinc/04/23/88/359042388.db2.gz JUDCVXNBFFWJGX-JQWIXIFHSA-N 1 0 307.350 1.403 20 5 DDBDRO C[C@H]1CC[C@@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])C[NH2+]1 ZINC000602554662 359042583 /nfs/dbraw/zinc/04/25/83/359042583.db2.gz NKXPPSKCVAPMGU-NWDGAFQWSA-N 1 0 307.350 1.620 20 5 DDBDRO COc1cc(C(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)cc([N+](=O)[O-])c1C ZINC000602557304 359044094 /nfs/dbraw/zinc/04/40/94/359044094.db2.gz ZDBRLUPGLGMBAS-JOYOIKCWSA-N 1 0 307.350 1.782 20 5 DDBDRO CCO[C@@H]1C[C@@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)[C@]12CCCO2 ZINC000602568694 359048398 /nfs/dbraw/zinc/04/83/98/359048398.db2.gz KLMJOYZLDQFGLK-MGPQQGTHSA-N 1 0 310.354 1.108 20 5 DDBDRO CC[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[C@@H](C)O ZINC000602680452 359122251 /nfs/dbraw/zinc/12/22/51/359122251.db2.gz GBMSGRRKUPVNNL-BXUZGUMPSA-N 1 0 308.382 1.708 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]3CCC[C@@H]3O)CC2)cn1 ZINC000602742651 359161662 /nfs/dbraw/zinc/16/16/62/359161662.db2.gz MIQBIDXULCGOEI-KBPBESRZSA-N 1 0 306.366 1.462 20 5 DDBDRO C[C@@H]1CN(Cc2cn(C)nc2[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000602843061 359231250 /nfs/dbraw/zinc/23/12/50/359231250.db2.gz YRDOOUHBFMXWQU-GFCCVEGCSA-N 1 0 307.398 1.635 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@]1(CO)CC(C)C ZINC000602817648 359212823 /nfs/dbraw/zinc/21/28/23/359212823.db2.gz UZKLBQSFNGMILN-OAHLLOKOSA-N 1 0 310.398 1.973 20 5 DDBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H]1CCc2ncnn21 ZINC000602823420 359217412 /nfs/dbraw/zinc/21/74/12/359217412.db2.gz KOQPCSHDTOTGLP-CQSZACIVSA-N 1 0 301.350 1.848 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](C(C)C)[C@H](O)C(F)(F)F ZINC000602830994 359223843 /nfs/dbraw/zinc/22/38/43/359223843.db2.gz NOKFLHJRYWRKCS-QWRGUYRKSA-N 1 0 324.303 1.637 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@H](C(=O)NC(C)C)C1 ZINC000602904258 359284474 /nfs/dbraw/zinc/28/44/74/359284474.db2.gz VRUXAUOCZMLZIR-CYBMUJFWSA-N 1 0 323.397 1.336 20 5 DDBDRO CC[N@@H+]1CCN(C(=O)Nc2c(C)cncc2[N+](=O)[O-])C[C@H]1C ZINC000602953161 359318001 /nfs/dbraw/zinc/31/80/01/359318001.db2.gz PHZRKVNZCQLMME-LLVKDONJSA-N 1 0 307.354 1.278 20 5 DDBDRO CC1(C)CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1c1ccco1 ZINC000602928003 359298953 /nfs/dbraw/zinc/29/89/53/359298953.db2.gz VJCRVTDUNVVFBU-GXTWGEPZSA-N 1 0 320.349 1.828 20 5 DDBDRO Cc1cncc([N+](=O)[O-])c1NC(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000602961511 359323935 /nfs/dbraw/zinc/32/39/35/359323935.db2.gz UUKSYINBAUEHPO-OAHLLOKOSA-N 1 0 319.365 1.280 20 5 DDBDRO O=[N+]([O-])c1ccccc1OCCn1cc(C[NH2+]C2CC2)nn1 ZINC000603200958 359477122 /nfs/dbraw/zinc/47/71/22/359477122.db2.gz LGRMIOMZRWHACA-UHFFFAOYSA-N 1 0 303.322 1.517 20 5 DDBDRO C[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000348259918 283438032 /nfs/dbraw/zinc/43/80/32/283438032.db2.gz HHYAUBJAQMXMER-MJBXVCDLSA-N 1 0 324.377 1.739 20 5 DDBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000187007408 200046682 /nfs/dbraw/zinc/04/66/82/200046682.db2.gz LGRKVBSWWMXUKK-WDEREUQCSA-N 1 0 322.365 1.546 20 5 DDBDRO C[N@@H+]1CCN(C(=O)NCc2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000603433739 359637261 /nfs/dbraw/zinc/63/72/61/359637261.db2.gz VUOAQKZQXYVDAY-UHFFFAOYSA-N 1 0 306.366 1.830 20 5 DDBDRO CC[C@H]([NH2+]CCS(=O)(=O)NC)c1cccc([N+](=O)[O-])c1 ZINC000187193275 200075278 /nfs/dbraw/zinc/07/52/78/200075278.db2.gz NLAVIAAWJMOHSE-LBPRGKRZSA-N 1 0 301.368 1.185 20 5 DDBDRO COC1(CO)CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000618550975 363668524 /nfs/dbraw/zinc/66/85/24/363668524.db2.gz GPNUGSRQLXSPLL-UHFFFAOYSA-N 1 0 310.350 1.447 20 5 DDBDRO Cc1cc(S(=O)(=O)NC[C@@H]2CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000237788998 202355779 /nfs/dbraw/zinc/35/57/79/202355779.db2.gz IBLVMMAVHRMEIO-LLVKDONJSA-N 1 0 313.379 1.181 20 5 DDBDRO Cc1c(C(=O)N[C@@H]2CCC[NH2+]C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000237829113 202363990 /nfs/dbraw/zinc/36/39/90/202363990.db2.gz KKMLJGLXTUCSLF-SNVBAGLBSA-N 1 0 322.321 1.602 20 5 DDBDRO Cc1c(C(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000272186481 209564594 /nfs/dbraw/zinc/56/45/94/209564594.db2.gz DSIASIYNRAPEJM-NXEZZACHSA-N 1 0 322.321 1.621 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@@H]1CCCCO1 ZINC000565797162 304093167 /nfs/dbraw/zinc/09/31/67/304093167.db2.gz MYXRJFFPHGAXRO-OLZOCXBDSA-N 1 0 310.350 1.493 20 5 DDBDRO CC[N@H+](C)C[C@@H]1CCN(c2ncc(C(=O)OC)cc2[N+](=O)[O-])C1 ZINC000189329906 200382972 /nfs/dbraw/zinc/38/29/72/200382972.db2.gz BIDIYOISNYOWCL-NSHDSACASA-N 1 0 322.365 1.554 20 5 DDBDRO C[N@@H+]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 ZINC000608985025 360255976 /nfs/dbraw/zinc/25/59/76/360255976.db2.gz HPJXELQTLJTQAA-SNVBAGLBSA-N 1 0 321.333 1.190 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+](CCCO)C2CC2)c1 ZINC000609848230 360356681 /nfs/dbraw/zinc/35/66/81/360356681.db2.gz MPJGUSOVMNTSKN-AWEZNQCLSA-N 1 0 310.350 1.181 20 5 DDBDRO O=C(N[C@@H]1CCCC[NH2+]C1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000565822822 304095092 /nfs/dbraw/zinc/09/50/92/304095092.db2.gz ZMSCFVSRQOHERI-CYBMUJFWSA-N 1 0 318.377 1.805 20 5 DDBDRO COC1CC[NH+](CCNC(=O)c2cc(C)cc([N+](=O)[O-])c2)CC1 ZINC000610571710 360472115 /nfs/dbraw/zinc/47/21/15/360472115.db2.gz ZBLPUMFPKDOVRY-UHFFFAOYSA-N 1 0 321.377 1.744 20 5 DDBDRO O=[N+]([O-])c1ccc2ncnc(N3CC[C@@H]([NH+]4CC=CC4)C3)c2c1 ZINC000611708864 360801194 /nfs/dbraw/zinc/80/11/94/360801194.db2.gz ROZKMRBWJNAJIK-CYBMUJFWSA-N 1 0 311.345 1.989 20 5 DDBDRO Cc1nccc(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])n1 ZINC000612030365 360894258 /nfs/dbraw/zinc/89/42/58/360894258.db2.gz JQEJFHJVYRIJGQ-CYBMUJFWSA-N 1 0 318.333 1.223 20 5 DDBDRO [NH3+][C@@H]1CC[C@H]2CN(c3nc(-c4ccc([N+](=O)[O-])cc4)no3)C[C@@H]12 ZINC000420228519 283600801 /nfs/dbraw/zinc/60/08/01/283600801.db2.gz LPEPPOARZCDFFH-CYZMBNFOSA-N 1 0 315.333 1.818 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@H]2CC[NH2+]C2)c1 ZINC000193239415 201010996 /nfs/dbraw/zinc/01/09/96/201010996.db2.gz SDTKIQAEGJHFGJ-QMMMGPOBSA-N 1 0 319.770 1.197 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000193403662 201046829 /nfs/dbraw/zinc/04/68/29/201046829.db2.gz DXANEFXUYJDBAD-KOLCDFICSA-N 1 0 313.379 1.180 20 5 DDBDRO C[NH2+][C@H]1CCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000133033500 283684695 /nfs/dbraw/zinc/68/46/95/283684695.db2.gz XPVUPHJUULWNKS-VIFPVBQESA-N 1 0 319.770 1.231 20 5 DDBDRO C[NH+](C)C[C@]1(O)CCCN(C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000618923074 363802624 /nfs/dbraw/zinc/80/26/24/363802624.db2.gz CMRLZEBBKDLZMJ-CYBMUJFWSA-N 1 0 313.379 1.185 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC3(C[NH+](C)C3)C2)c1 ZINC000619251673 363944006 /nfs/dbraw/zinc/94/40/06/363944006.db2.gz KVZOJOWKUNFZRQ-UHFFFAOYSA-N 1 0 305.334 1.381 20 5 DDBDRO O=C(CNc1ccccc1[N+](=O)[O-])NCC12CCC[NH+]1CCC2 ZINC000619573929 364068002 /nfs/dbraw/zinc/06/80/02/364068002.db2.gz DWMUSELOYZRTGU-UHFFFAOYSA-N 1 0 318.377 1.751 20 5 DDBDRO CO[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])c(C)s2)[C@@H](C[NH3+])C1 ZINC000359230114 299367338 /nfs/dbraw/zinc/36/73/38/299367338.db2.gz PJKMLQOAZHJWBD-ZJUUUORDSA-N 1 0 313.379 1.543 20 5 DDBDRO O=C(NC[C@H]1CCC[NH2+]1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000178738322 283995295 /nfs/dbraw/zinc/99/52/95/283995295.db2.gz USLZGXJHICRCKD-CYBMUJFWSA-N 1 0 318.377 1.677 20 5 DDBDRO C[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1cn[nH]c1 ZINC000275146977 212150237 /nfs/dbraw/zinc/15/02/37/212150237.db2.gz FWMSQWSHANNJJM-GXFFZTMASA-N 1 0 306.322 1.408 20 5 DDBDRO COc1ccc(C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000262580500 203338706 /nfs/dbraw/zinc/33/87/06/203338706.db2.gz YVWBGJHULNHREQ-VXGBXAGGSA-N 1 0 305.334 1.427 20 5 DDBDRO O=C(COc1ccccc1[N+](=O)[O-])N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262657314 203368633 /nfs/dbraw/zinc/36/86/33/203368633.db2.gz XLGBGOZWYCOGBB-NEPJUHHUSA-N 1 0 305.334 1.327 20 5 DDBDRO C[C@H]1[NH2+]CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)[C@@H]1C ZINC000262724529 203392792 /nfs/dbraw/zinc/39/27/92/203392792.db2.gz GSSVGOCMRBYTDN-GHMZBOCLSA-N 1 0 318.377 1.992 20 5 DDBDRO CCCc1n[nH]c(C(=O)NCC[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000264678559 204072627 /nfs/dbraw/zinc/07/26/27/204072627.db2.gz OKJXOTBZDVVKLB-UHFFFAOYSA-N 1 0 323.397 1.732 20 5 DDBDRO O=C1CC[C@H]([NH2+]CCOc2cccc([N+](=O)[O-])c2)C2(CCC2)N1 ZINC000282775811 217243477 /nfs/dbraw/zinc/24/34/77/217243477.db2.gz METRMGSTKKYZKF-AWEZNQCLSA-N 1 0 319.361 1.765 20 5 DDBDRO Cc1cnc(N(C)CC2CC[NH+](C[C@H](C)O)CC2)c([N+](=O)[O-])c1 ZINC000266177823 205163469 /nfs/dbraw/zinc/16/34/69/205163469.db2.gz BHUGOQKDYBKTIJ-ZDUSSCGKSA-N 1 0 322.409 1.827 20 5 DDBDRO COC(=O)CC1([NH2+]CC(=O)Nc2c(C)cccc2[N+](=O)[O-])CC1 ZINC000566623468 304172343 /nfs/dbraw/zinc/17/23/43/304172343.db2.gz KHIRWZNLMNXNGB-UHFFFAOYSA-N 1 0 321.333 1.527 20 5 DDBDRO CN(C(=O)C[NH2+][C@H]1CCC[C@@]1(C)CO)c1ccc([N+](=O)[O-])cc1 ZINC000351520806 284359476 /nfs/dbraw/zinc/35/94/76/284359476.db2.gz YLIBFNZHBSDXDG-HOCLYGCPSA-N 1 0 321.377 1.698 20 5 DDBDRO COC(=O)CC[C@@H]([NH3+])C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000288495811 220180130 /nfs/dbraw/zinc/18/01/30/220180130.db2.gz AWXQXYZWSGVNLM-JOYOIKCWSA-N 1 0 309.322 1.053 20 5 DDBDRO COC(=O)CC[C@H]([NH3+])C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000288495815 220180423 /nfs/dbraw/zinc/18/04/23/220180423.db2.gz AWXQXYZWSGVNLM-SKDRFNHKSA-N 1 0 309.322 1.053 20 5 DDBDRO COc1cccc(CC[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC001120466872 781964142 /nfs/dbraw/zinc/96/41/42/781964142.db2.gz GIZXKJFUGFDXLJ-OAHLLOKOSA-N 1 0 317.345 1.864 20 5 DDBDRO Cc1ccc([C@H](C)[NH2+]CCNS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000021018932 182261220 /nfs/dbraw/zinc/26/12/20/182261220.db2.gz KRZGAHOEUJDZKY-JTQLQIEISA-N 1 0 301.368 1.103 20 5 DDBDRO Cc1ccc(S(=O)(=O)N(C)C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000036300011 182814792 /nfs/dbraw/zinc/81/47/92/182814792.db2.gz QPXMBAYGKYQMGH-UHFFFAOYSA-N 1 0 313.379 1.276 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C1CCS(=O)(=O)CC1 ZINC000036331785 182816429 /nfs/dbraw/zinc/81/64/29/182816429.db2.gz DKIJXSVWFIFMCU-UHFFFAOYSA-N 1 0 314.363 1.270 20 5 DDBDRO CNC(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000334047272 249193054 /nfs/dbraw/zinc/19/30/54/249193054.db2.gz BECTZVWVHOSCIZ-RYUDHWBXSA-N 1 0 306.366 1.968 20 5 DDBDRO C[C@@H](CCC[NH3+])NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000336840756 249248047 /nfs/dbraw/zinc/24/80/47/249248047.db2.gz QPYNJWNARNPAMU-QMMMGPOBSA-N 1 0 321.786 1.654 20 5 DDBDRO Cc1cc(NC[C@@H]2COCCO2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000336860668 249269181 /nfs/dbraw/zinc/26/91/81/249269181.db2.gz UBDYBYQKASALJI-GFCCVEGCSA-N 1 0 303.318 1.701 20 5 DDBDRO CC[C@@H](NC(=O)COc1ccccc1[N+](=O)[O-])c1ncc[nH]1 ZINC000336861381 249270909 /nfs/dbraw/zinc/27/09/09/249270909.db2.gz ZVEXKOICQNMJOR-SNVBAGLBSA-N 1 0 304.306 1.964 20 5 DDBDRO Cc1cc(C(=O)N2CC[C@]3(CC[NH2+]C3)C2)c(N)c([N+](=O)[O-])c1 ZINC000274215354 211429707 /nfs/dbraw/zinc/42/97/07/211429707.db2.gz XTGGOYRSDJFNCS-HNNXBMFYSA-N 1 0 304.350 1.311 20 5 DDBDRO Cc1c(CC(=O)N2CC[C@]3(CC[NH2+]C3)C2)cccc1[N+](=O)[O-] ZINC000274171486 211399051 /nfs/dbraw/zinc/39/90/51/211399051.db2.gz BSHGPOKNLVPKOF-INIZCTEOSA-N 1 0 303.362 1.658 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N(CC[NH+](C)C)CC(C)C ZINC000340533954 251101101 /nfs/dbraw/zinc/10/11/01/251101101.db2.gz YAIGZLYGIHGJEB-UHFFFAOYSA-N 1 0 311.386 1.146 20 5 DDBDRO C[NH2+]C[C@H]1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000269173611 207295019 /nfs/dbraw/zinc/29/50/19/207295019.db2.gz KQPFWGXGWULOET-GFCCVEGCSA-N 1 0 305.378 1.940 20 5 DDBDRO C[C@@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[C@H]1CCC[NH2+]C1 ZINC000269204092 207323228 /nfs/dbraw/zinc/32/32/28/207323228.db2.gz NINVYZMQYYUGNJ-ZJUUUORDSA-N 1 0 322.321 1.621 20 5 DDBDRO O=C(C[C@@H]1C[NH2+]CCO1)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000269253258 207391782 /nfs/dbraw/zinc/39/17/82/207391782.db2.gz UVOYSYQQIVFBOP-LLVKDONJSA-N 1 0 313.741 1.243 20 5 DDBDRO CO[C@@H]1C[C@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000451475444 532963876 /nfs/dbraw/zinc/96/38/76/532963876.db2.gz CNVVDTUHSYRUNS-AEGPPILISA-N 1 0 324.377 1.738 20 5 DDBDRO C[NH2+][C@@H]1CCN(C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000417844332 532962975 /nfs/dbraw/zinc/96/29/75/532962975.db2.gz HJVRUJUVLUMVGD-WCQYABFASA-N 1 0 306.366 1.968 20 5 DDBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1c1ncc([N+](=O)[O-])cc1C(N)=O ZINC000286486056 219014187 /nfs/dbraw/zinc/01/41/87/219014187.db2.gz XAPCLNQTMAYVIB-CMPLNLGQSA-N 1 0 319.365 1.152 20 5 DDBDRO COc1cc(OCC(=O)N[C@@H]2CC[C@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000449715348 533090047 /nfs/dbraw/zinc/09/00/47/533090047.db2.gz JAZFJDFKDIWEPA-WDEREUQCSA-N 1 0 323.349 1.226 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000415508109 533139773 /nfs/dbraw/zinc/13/97/73/533139773.db2.gz ULQKNQRRQJYYGU-UWVGGRQHSA-N 1 0 308.338 1.818 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000415508108 533140218 /nfs/dbraw/zinc/14/02/18/533140218.db2.gz ULQKNQRRQJYYGU-NXEZZACHSA-N 1 0 308.338 1.818 20 5 DDBDRO CC(C)(C)CNC(=O)C(C)(C)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000155353866 197046969 /nfs/dbraw/zinc/04/69/69/197046969.db2.gz KCELGYNZMBCBLG-UHFFFAOYSA-N 1 0 311.386 1.322 20 5 DDBDRO C[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)CCC1(F)F ZINC000289664189 221138344 /nfs/dbraw/zinc/13/83/44/221138344.db2.gz FNCAMXUEVXLLEI-SNVBAGLBSA-N 1 0 301.293 1.734 20 5 DDBDRO CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000289900263 221303070 /nfs/dbraw/zinc/30/30/70/221303070.db2.gz JDDQFQOLHVQMNS-CABCVRRESA-N 1 0 305.378 1.888 20 5 DDBDRO CN(CC(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1[N+](=O)[O-] ZINC000289941976 221331818 /nfs/dbraw/zinc/33/18/18/221331818.db2.gz WCUKOHRGVHSZGZ-STQMWFEESA-N 1 0 318.377 1.099 20 5 DDBDRO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000352951123 285409239 /nfs/dbraw/zinc/40/92/39/285409239.db2.gz ZTXZXUZMOVLIDN-GJZGRUSLSA-N 1 0 303.362 1.868 20 5 DDBDRO COc1cc(C(=O)N2CC[C@H]([NH3+])[C@H](C)C2)cc([N+](=O)[O-])c1C ZINC000422843665 533524367 /nfs/dbraw/zinc/52/43/67/533524367.db2.gz JDOWVIMNBPWJBF-SKDRFNHKSA-N 1 0 307.350 1.721 20 5 DDBDRO C[NH2+]C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 ZINC000579710920 422818774 /nfs/dbraw/zinc/81/87/74/422818774.db2.gz XTIIORGJDTYWLB-SNVBAGLBSA-N 1 0 321.333 1.048 20 5 DDBDRO CC[C@@H]1C[N@H+](C)CCN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000569041921 304331930 /nfs/dbraw/zinc/33/19/30/304331930.db2.gz VIUTZWFLIJLKRY-CYBMUJFWSA-N 1 0 321.377 1.916 20 5 DDBDRO Cc1ccc(NCCCNC(=O)NCC[C@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000417721611 292161122 /nfs/dbraw/zinc/16/11/22/292161122.db2.gz UFCNRNNYRZUVGB-LBPRGKRZSA-N 1 0 323.397 1.742 20 5 DDBDRO CN(C(=O)C[N@@H+]1CCC[C@]1(C)CO)c1ccc([N+](=O)[O-])cc1 ZINC000569862158 304383410 /nfs/dbraw/zinc/38/34/10/304383410.db2.gz ZXCZMLFGNFKVHF-OAHLLOKOSA-N 1 0 307.350 1.404 20 5 DDBDRO Cn1cc(N2CC[C@H]([NH2+]Cc3csc([N+](=O)[O-])c3)C2)cn1 ZINC000361012780 299791100 /nfs/dbraw/zinc/79/11/00/299791100.db2.gz OQIFHEGRCZEPKD-NSHDSACASA-N 1 0 307.379 1.758 20 5 DDBDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000069035020 406677799 /nfs/dbraw/zinc/67/77/99/406677799.db2.gz ULHQOSXDNYIFJD-LBPRGKRZSA-N 1 0 309.370 1.028 20 5 DDBDRO CC[NH+](CC)[C@H](C)CNC(=O)c1cc(C)cc([N+](=O)[O-])c1N ZINC000068515304 406647561 /nfs/dbraw/zinc/64/75/61/406647561.db2.gz JZKDDVVIQBDQGM-LLVKDONJSA-N 1 0 308.382 1.946 20 5 DDBDRO O=[N+]([O-])c1ccc(CS(=O)(=O)NCC[NH+]2CCCC2)cc1 ZINC000012141584 406835197 /nfs/dbraw/zinc/83/51/97/406835197.db2.gz BRFOIMFNOWLQRI-UHFFFAOYSA-N 1 0 313.379 1.110 20 5 DDBDRO NC(=O)[C@@H]([NH2+]CCNc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000026221715 406903701 /nfs/dbraw/zinc/90/37/01/406903701.db2.gz XPRKSIVCUSTXFB-HNNXBMFYSA-N 1 0 314.345 1.823 20 5 DDBDRO CC(C)[NH+]1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000045430138 407044305 /nfs/dbraw/zinc/04/43/05/407044305.db2.gz YTUBPVSUNKKPHF-UHFFFAOYSA-N 1 0 320.393 1.949 20 5 DDBDRO CC[C@H](CSC)[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000091097021 407177749 /nfs/dbraw/zinc/17/77/49/407177749.db2.gz LXXCGKVFGDGFLH-PWSUYJOCSA-N 1 0 302.400 1.226 20 5 DDBDRO CCC(CC)(C[NH3+])NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000111832289 407417308 /nfs/dbraw/zinc/41/73/08/407417308.db2.gz VOLXNRPZSQXNSY-UHFFFAOYSA-N 1 0 301.368 1.391 20 5 DDBDRO O=[N+]([O-])c1cc(CN2CC[NH+](C[C@@H]3CCOC3)CC2)cs1 ZINC000178494912 407472382 /nfs/dbraw/zinc/47/23/82/407472382.db2.gz MJJIXVXEPSIWNF-LBPRGKRZSA-N 1 0 311.407 1.810 20 5 DDBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H]1CC[NH2+]C1 ZINC000127875109 407474675 /nfs/dbraw/zinc/47/46/75/407474675.db2.gz ONIBBACATIGTNM-SCZZXKLOSA-N 1 0 313.741 1.494 20 5 DDBDRO CC[N@@H+](Cc1ccncc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000270998746 407460165 /nfs/dbraw/zinc/46/01/65/407460165.db2.gz JWLTXNHXNIQTSG-AWEZNQCLSA-N 1 0 305.338 1.069 20 5 DDBDRO C[C@]1(CCCO)CCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000271173368 407553399 /nfs/dbraw/zinc/55/33/99/407553399.db2.gz DUZLUPTXNLJIGG-MRXNPFEDSA-N 1 0 321.377 1.821 20 5 DDBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CC(=O)N(C)C2)cc1[N+](=O)[O-] ZINC000271172144 407554260 /nfs/dbraw/zinc/55/42/60/407554260.db2.gz UKOQQQDONJIREQ-JQWIXIFHSA-N 1 0 307.350 1.875 20 5 DDBDRO CN(C)C(=O)C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000171049039 407581116 /nfs/dbraw/zinc/58/11/16/407581116.db2.gz FWRMNBNFXXMWFK-UHFFFAOYSA-N 1 0 317.349 1.173 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000128236438 407512646 /nfs/dbraw/zinc/51/26/46/407512646.db2.gz TYMKZIVNRCDIGN-ZDUSSCGKSA-N 1 0 318.377 1.856 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000178623873 407518044 /nfs/dbraw/zinc/51/80/44/407518044.db2.gz ANFSWBMDTWCALO-CQSZACIVSA-N 1 0 318.377 1.622 20 5 DDBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)C(=O)N2CCNC2=O)cc1[N+](=O)[O-] ZINC000178689524 407548070 /nfs/dbraw/zinc/54/80/70/407548070.db2.gz OCOGTYXTYYDQTQ-WDEREUQCSA-N 1 0 320.349 1.494 20 5 DDBDRO [NH3+]CCN(CCc1ccccc1)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000261743053 407598099 /nfs/dbraw/zinc/59/80/99/407598099.db2.gz OEYSQDPFFYLXME-UHFFFAOYSA-N 1 0 303.318 1.831 20 5 DDBDRO CCc1n[nH]c(C(=O)N[C@H](C)C[NH+]2CCCCCC2)c1[N+](=O)[O-] ZINC000186330972 407641584 /nfs/dbraw/zinc/64/15/84/407641584.db2.gz HFPQVGFDTBPDHP-LLVKDONJSA-N 1 0 323.397 1.875 20 5 DDBDRO Cc1ccc(S(=O)(=O)N2CC[C@H]([C@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000228157353 407644737 /nfs/dbraw/zinc/64/47/37/407644737.db2.gz JVHYVGOZYPSKFB-QWRGUYRKSA-N 1 0 313.379 1.261 20 5 DDBDRO CN(C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)[C@@H]1CC[NH2+]C1 ZINC000179046292 407701412 /nfs/dbraw/zinc/70/14/12/407701412.db2.gz CROLTVJTRPGPEZ-GFCCVEGCSA-N 1 0 315.333 1.214 20 5 DDBDRO C[NH+](C)C[C@@H]1CCCCN1C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000187150075 407825271 /nfs/dbraw/zinc/82/52/71/407825271.db2.gz HVMVWOGTLZJULR-NSHDSACASA-N 1 0 308.338 1.252 20 5 DDBDRO C[NH2+][C@H]1CCCN(C(=O)COc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000133333918 407832817 /nfs/dbraw/zinc/83/28/17/407832817.db2.gz GNPDBFAAHTVMCT-NSHDSACASA-N 1 0 323.349 1.193 20 5 DDBDRO COC[C@@H](O)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000117946355 407872680 /nfs/dbraw/zinc/87/26/80/407872680.db2.gz YFJMKSXDCYDUOY-ZDUSSCGKSA-N 1 0 306.318 1.952 20 5 DDBDRO [NH3+][C@@H](CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)C1CC1 ZINC000238041048 407875507 /nfs/dbraw/zinc/87/55/07/407875507.db2.gz YIXHMFYKWQGHJZ-LBPRGKRZSA-N 1 0 304.350 1.636 20 5 DDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000272410333 407906365 /nfs/dbraw/zinc/90/63/65/407906365.db2.gz IVNRDZBTVLZMDD-UHFFFAOYSA-N 1 0 304.350 1.534 20 5 DDBDRO COC[C@@H](C)C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000187355024 407848989 /nfs/dbraw/zinc/84/89/89/407848989.db2.gz HYHRBCGVUXCJFT-ZDUSSCGKSA-N 1 0 321.377 1.635 20 5 DDBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000268216211 407951745 /nfs/dbraw/zinc/95/17/45/407951745.db2.gz PNXGBLYEUFLPCL-BXKDBHETSA-N 1 0 304.350 1.390 20 5 DDBDRO NC(=O)CC1CC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000055903869 161546483 /nfs/dbraw/zinc/54/64/83/161546483.db2.gz WPVZAXNIMSZIQP-UHFFFAOYSA-N 1 0 321.377 1.951 20 5 DDBDRO C[C@@H]1C[C@@H](NC(=O)CN(C)c2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000262922866 407971880 /nfs/dbraw/zinc/97/18/80/407971880.db2.gz RYAGIEBUNRFJAP-NEPJUHHUSA-N 1 0 306.366 1.288 20 5 DDBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000272551633 407979424 /nfs/dbraw/zinc/97/94/24/407979424.db2.gz YZHHRYHZBYRZKB-LLVKDONJSA-N 1 0 306.366 1.591 20 5 DDBDRO C[C@@H]1[NH2+]CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])[C@H]1C ZINC000262784098 407929514 /nfs/dbraw/zinc/92/95/14/407929514.db2.gz PSIXVCLJSBNUDH-IUCAKERBSA-N 1 0 317.342 1.105 20 5 DDBDRO C[NH+](C)CCNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000154219153 407995835 /nfs/dbraw/zinc/99/58/35/407995835.db2.gz UWQVAFZKKOWHJO-UHFFFAOYSA-N 1 0 303.322 1.072 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])c(=O)n(CC[NH+]2CCC(C)CC2)c1 ZINC000154238506 407998777 /nfs/dbraw/zinc/99/87/77/407998777.db2.gz ZJRQSFFNZHCHKG-UHFFFAOYSA-N 1 0 323.349 1.275 20 5 DDBDRO O=[N+]([O-])c1cnn(CCN2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000174876728 407999234 /nfs/dbraw/zinc/99/92/34/407999234.db2.gz OXGWNLUMFIWJFR-AWEZNQCLSA-N 1 0 307.398 1.599 20 5 DDBDRO COCC(C)(C)[NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000154890434 408097957 /nfs/dbraw/zinc/09/79/57/408097957.db2.gz JNRWHQBBVPRZRQ-UHFFFAOYSA-N 1 0 323.349 1.907 20 5 DDBDRO C[C@@H]1CCC[C@@H](CO)[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182220800 408098175 /nfs/dbraw/zinc/09/81/75/408098175.db2.gz DQGXXAUHODJIDV-RDBSUJKOSA-N 1 0 324.377 1.570 20 5 DDBDRO NC(=O)NC1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000175746616 408195160 /nfs/dbraw/zinc/19/51/60/408195160.db2.gz QHHKCMKELPZUTH-UHFFFAOYSA-N 1 0 308.338 1.106 20 5 DDBDRO COC(=O)c1cnc(NCCCn2ccnc2)c([N+](=O)[O-])c1 ZINC000190163457 408179012 /nfs/dbraw/zinc/17/90/12/408179012.db2.gz LIMRNDHLQQMEBG-UHFFFAOYSA-N 1 0 305.294 1.475 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@H]([NH3+])C[C@@H]1C ZINC000156120937 408240341 /nfs/dbraw/zinc/24/03/41/408240341.db2.gz DIWPTWGFPOLLPZ-QWRGUYRKSA-N 1 0 313.379 1.404 20 5 DDBDRO COc1cc(C(=O)N[C@H]2CCC[C@H]2C[NH3+])cc([N+](=O)[O-])c1OC ZINC000269281431 408249312 /nfs/dbraw/zinc/24/93/12/408249312.db2.gz QPVLRSOCKJGDPV-ONGXEEELSA-N 1 0 323.349 1.469 20 5 DDBDRO CC(C)(O)[C@H]1CCC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000246280443 408204134 /nfs/dbraw/zinc/20/41/34/408204134.db2.gz NLYGOXXKLVNOLB-UKRRQHHQSA-N 1 0 324.377 1.570 20 5 DDBDRO C[C@@H]1CC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@@H]1CO ZINC000190365677 408229916 /nfs/dbraw/zinc/22/99/16/408229916.db2.gz IXZDEASTPPHPHQ-BXUZGUMPSA-N 1 0 307.350 1.260 20 5 DDBDRO C[N@@H+]1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)C2(CCCCC2)C1 ZINC000176244456 408322698 /nfs/dbraw/zinc/32/26/98/408322698.db2.gz KEJWJPQFEZHJFX-UHFFFAOYSA-N 1 0 321.381 1.268 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)N(C)C[C@@H]2CC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000269330190 408269927 /nfs/dbraw/zinc/26/99/27/408269927.db2.gz DYUBOUYKGAWOFI-SNVBAGLBSA-N 1 0 309.370 1.465 20 5 DDBDRO Cc1noc([C@@H]2CCC[N@H+](CCn3ccc([N+](=O)[O-])n3)C2)n1 ZINC000176214805 408313435 /nfs/dbraw/zinc/31/34/35/408313435.db2.gz PLNZNMSQJIPMRR-LLVKDONJSA-N 1 0 306.326 1.362 20 5 DDBDRO CC[N@@H+]1CC[C@@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000134133879 162072089 /nfs/dbraw/zinc/07/20/89/162072089.db2.gz MNVLZXJKYFCIFL-NSHDSACASA-N 1 0 309.341 1.734 20 5 DDBDRO O=[N+]([O-])c1cc(Cl)cnc1NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000148554888 162134692 /nfs/dbraw/zinc/13/46/92/162134692.db2.gz WIODLFDGQKXGAM-GHMZBOCLSA-N 1 0 312.757 1.918 20 5 DDBDRO Cc1[nH]nc(C(=O)N(CC[NH+](C)C)c2ccccc2)c1[N+](=O)[O-] ZINC000264207113 408401531 /nfs/dbraw/zinc/40/15/31/408401531.db2.gz QYAQTJBCPZCWEY-UHFFFAOYSA-N 1 0 317.349 1.835 20 5 DDBDRO CCC[NH+]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000269721375 408404869 /nfs/dbraw/zinc/40/48/69/408404869.db2.gz QAQHUAXGCZVKHR-UHFFFAOYSA-N 1 0 305.378 2.000 20 5 DDBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000269743849 408414182 /nfs/dbraw/zinc/41/41/82/408414182.db2.gz XXPVOWQDCPYLDH-AWEZNQCLSA-N 1 0 321.381 1.315 20 5 DDBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000176966435 408485495 /nfs/dbraw/zinc/48/54/95/408485495.db2.gz RESIXXSXTVDTFE-LLVKDONJSA-N 1 0 306.366 1.733 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)n1 ZINC000191783820 408491236 /nfs/dbraw/zinc/49/12/36/408491236.db2.gz KHRLFCIDMYATHE-NWDGAFQWSA-N 1 0 323.397 1.661 20 5 DDBDRO O=C(NCC1CC[NH+](CCO)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000160560235 408498302 /nfs/dbraw/zinc/49/83/02/408498302.db2.gz JCUJYAKAFKQBLV-UHFFFAOYSA-N 1 0 307.350 1.029 20 5 DDBDRO C[C@@H]1C[C@@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2N)CC[N@@H+]1C ZINC000176868388 408462460 /nfs/dbraw/zinc/46/24/60/408462460.db2.gz NKLJEFKFQBVKBO-MNOVXSKESA-N 1 0 306.366 1.732 20 5 DDBDRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000248683818 408616525 /nfs/dbraw/zinc/61/65/25/408616525.db2.gz XXCHNHFZLGYWLR-NEPJUHHUSA-N 1 0 321.381 1.510 20 5 DDBDRO CN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000178949984 162704235 /nfs/dbraw/zinc/70/42/35/162704235.db2.gz YCNRIJWQQDTRLE-SECBINFHSA-N 1 0 319.770 1.231 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000177542449 408652158 /nfs/dbraw/zinc/65/21/58/408652158.db2.gz AXZZVHKUCHKTSU-OLZOCXBDSA-N 1 0 323.397 1.479 20 5 DDBDRO CC[N@H+](CCO)CCNC(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000184610803 408655746 /nfs/dbraw/zinc/65/57/46/408655746.db2.gz JBPMTJZFJXQGHB-UHFFFAOYSA-N 1 0 310.354 1.339 20 5 DDBDRO [NH3+][C@H]1CC[C@H]2CN(C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)C[C@H]21 ZINC000184953612 408725042 /nfs/dbraw/zinc/72/50/42/408725042.db2.gz VJVBYKSFMZGJKP-CKLFPEKLSA-N 1 0 320.305 1.312 20 5 DDBDRO CS[C@H]1CN(c2ccc([N+](=O)[O-])c3nonc32)C[C@H]1[NH+](C)C ZINC000270923765 408743855 /nfs/dbraw/zinc/74/38/55/408743855.db2.gz BEKZGSDZRVWLIK-MNOVXSKESA-N 1 0 323.378 1.613 20 5 DDBDRO CCC(=O)c1ccc(N2CCN(CCCO)CC2)c([N+](=O)[O-])c1 ZINC000280780923 408832869 /nfs/dbraw/zinc/83/28/69/408832869.db2.gz STZXYGSSMKHBJZ-UHFFFAOYSA-N 1 0 321.377 1.692 20 5 DDBDRO C[C@H](O)C[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(N)c2F)[C@H](C)C1 ZINC000281611749 408896265 /nfs/dbraw/zinc/89/62/65/408896265.db2.gz ZEULRBKZEWHTSF-ZJUUUORDSA-N 1 0 312.345 1.207 20 5 DDBDRO COCC[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000277368849 408928367 /nfs/dbraw/zinc/92/83/67/408928367.db2.gz CWCTUDUOHDYKCQ-NSHDSACASA-N 1 0 323.349 1.054 20 5 DDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000190739646 163156444 /nfs/dbraw/zinc/15/64/44/163156444.db2.gz DFKYKWUHFIDPKA-ZDUSSCGKSA-N 1 0 303.362 1.880 20 5 DDBDRO C[C@@H]1C[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@H]1CO ZINC000190926540 163165098 /nfs/dbraw/zinc/16/50/98/163165098.db2.gz AWVJWLBRHGXFAU-XUJVJEKNSA-N 1 0 319.361 1.260 20 5 DDBDRO CCc1n[nH]c(C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)c1[N+](=O)[O-] ZINC000277386081 408930796 /nfs/dbraw/zinc/93/07/96/408930796.db2.gz BOCNNUTYQIFZAA-LLVKDONJSA-N 1 0 321.381 1.627 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000277343893 408924345 /nfs/dbraw/zinc/92/43/45/408924345.db2.gz SRPJGGKNSBYGMH-GFCCVEGCSA-N 1 0 309.370 1.042 20 5 DDBDRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000277520487 408956517 /nfs/dbraw/zinc/95/65/17/408956517.db2.gz KYMNHXZYXPNTCM-ONGXEEELSA-N 1 0 321.333 1.094 20 5 DDBDRO COc1cccc(OC)c1C[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000286342464 408968159 /nfs/dbraw/zinc/96/81/59/408968159.db2.gz FDYXZPWSGQOABN-UHFFFAOYSA-N 1 0 306.322 1.598 20 5 DDBDRO COCC[NH+]1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000277767748 409008678 /nfs/dbraw/zinc/00/86/78/409008678.db2.gz LCCUHAKATKMMHF-UHFFFAOYSA-N 1 0 305.338 1.240 20 5 DDBDRO COc1ccc(OCC[N@H+](C)C2(CO)CCC2)c([N+](=O)[O-])c1 ZINC000292251369 409009974 /nfs/dbraw/zinc/00/99/74/409009974.db2.gz XSEYDZDJXBDWEJ-UHFFFAOYSA-N 1 0 310.350 1.829 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCS[C@@H]3COCC[C@@H]32)c1 ZINC000246283004 163473290 /nfs/dbraw/zinc/47/32/90/163473290.db2.gz NVVMKYAMGGBPLV-RRFJBIMHSA-N 1 0 324.402 1.835 20 5 DDBDRO C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[C@@H](C[NH3+])C1 ZINC000293021098 409048971 /nfs/dbraw/zinc/04/89/71/409048971.db2.gz AJDRSOBPJVVJSL-NOZJJQNGSA-N 1 0 322.321 1.702 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1NC1CC[NH+](Cc2cccnc2)CC1 ZINC000287698534 409078279 /nfs/dbraw/zinc/07/82/79/409078279.db2.gz KGRPOWFQCGHYCW-UHFFFAOYSA-N 1 0 316.365 1.800 20 5 DDBDRO CN(C(=O)CN1CCC[C@@H](CO)C1)c1ccc([N+](=O)[O-])cc1 ZINC000283104570 409088990 /nfs/dbraw/zinc/08/89/90/409088990.db2.gz WUOBBMLRHXXXIJ-GFCCVEGCSA-N 1 0 307.350 1.262 20 5 DDBDRO C[NH+](C)[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000279344647 409196031 /nfs/dbraw/zinc/19/60/31/409196031.db2.gz DWEYSZJJYMXQSB-VIFPVBQESA-N 1 0 310.329 1.482 20 5 DDBDRO COC(=O)c1cc(C)nc(N2CCC[C@@H]2C[NH+](C)C)c1[N+](=O)[O-] ZINC000283421076 409153774 /nfs/dbraw/zinc/15/37/74/409153774.db2.gz ATFPGVNZYMJZTB-LLVKDONJSA-N 1 0 322.365 1.615 20 5 DDBDRO Nc1ccc(N2CC[NH+](C[C@H]3CCOC3)CC2)c([N+](=O)[O-])c1 ZINC000283436302 409156316 /nfs/dbraw/zinc/15/63/16/409156316.db2.gz CASMBRXZXPVNDB-GFCCVEGCSA-N 1 0 306.366 1.336 20 5 DDBDRO C[C@H]1C[C@@H](C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000279275597 409182698 /nfs/dbraw/zinc/18/26/98/409182698.db2.gz VYRDHFIKWPLGHR-JSGCOSHPSA-N 1 0 305.378 1.984 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC[N@@H+]2C)c1 ZINC000283933095 409242600 /nfs/dbraw/zinc/24/26/00/409242600.db2.gz KNRYOXBMLCGTRP-NSHDSACASA-N 1 0 307.350 1.818 20 5 DDBDRO CN1CC[C@@H]([NH2+]CCn2ccc([N+](=O)[O-])n2)[C@H]1c1ccccc1 ZINC000289324453 409249678 /nfs/dbraw/zinc/24/96/78/409249678.db2.gz CSJJWRQLFGULFF-GDBMZVCRSA-N 1 0 315.377 1.826 20 5 DDBDRO C[C@@H]1CN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])C[C@H](C)[N@H+]1C ZINC000293899384 409202876 /nfs/dbraw/zinc/20/28/76/409202876.db2.gz FEAKNUCATPGQJN-BETUJISGSA-N 1 0 320.393 1.582 20 5 DDBDRO C[NH+](C)CCCNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000280322992 409292414 /nfs/dbraw/zinc/29/24/14/409292414.db2.gz YNNJNFNQWFQGSE-UHFFFAOYSA-N 1 0 317.748 1.998 20 5 DDBDRO Cc1cc(OCC(=O)NC[C@H]2CCC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000280470162 409317232 /nfs/dbraw/zinc/31/72/32/409317232.db2.gz GKMZEDMYQVVGQO-GFCCVEGCSA-N 1 0 307.350 1.492 20 5 DDBDRO CC[C@H]([NH3+])CNC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000295190994 409364758 /nfs/dbraw/zinc/36/47/58/409364758.db2.gz IXVNYAAGZFEYQT-QMMMGPOBSA-N 1 0 313.379 1.792 20 5 DDBDRO CC[C@H](CO)[N@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000295716167 409364948 /nfs/dbraw/zinc/36/49/48/409364948.db2.gz NPCIKBZWBGXZGR-GFCCVEGCSA-N 1 0 307.350 1.187 20 5 DDBDRO NC(=O)c1ccnc(N[C@H]2CC[N@@H+]3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000290448222 409406046 /nfs/dbraw/zinc/40/60/46/409406046.db2.gz CWCJKQDCJIMTLG-WDEREUQCSA-N 1 0 305.338 1.127 20 5 DDBDRO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000285382667 409420507 /nfs/dbraw/zinc/42/05/07/409420507.db2.gz GSSPQWYNKCSSCU-NSHDSACASA-N 1 0 307.354 1.408 20 5 DDBDRO CNc1c(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cccc1[N+](=O)[O-] ZINC000321723620 164045427 /nfs/dbraw/zinc/04/54/27/164045427.db2.gz ZXTUUSQAZQLYMG-QWHCGFSZSA-N 1 0 318.377 1.993 20 5 DDBDRO COC(=O)c1cc(OC[C@@H](O)C[N@H+](C)C2CC2)ccc1[N+](=O)[O-] ZINC000290750589 409507750 /nfs/dbraw/zinc/50/77/50/409507750.db2.gz ISCFUJJJPHANIL-NSHDSACASA-N 1 0 324.333 1.215 20 5 DDBDRO CC(C)[N@H+](C)C[C@H](C)NC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000356747720 409568734 /nfs/dbraw/zinc/56/87/34/409568734.db2.gz TZXKCFJVOHCXCO-VIFPVBQESA-N 1 0 312.345 1.775 20 5 DDBDRO Cc1c(C[N@H+](CCO)CCN2CCOCC2)cccc1[N+](=O)[O-] ZINC000304670830 409636767 /nfs/dbraw/zinc/63/67/67/409636767.db2.gz CBRRLTVCDLRENH-UHFFFAOYSA-N 1 0 323.393 1.030 20 5 DDBDRO Cc1nccn1CC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000342604848 409758501 /nfs/dbraw/zinc/75/85/01/409758501.db2.gz FXKTZMKAVIHLED-CYBMUJFWSA-N 1 0 316.365 1.681 20 5 DDBDRO Cn1cc(CN2CCC[C@@H]([NH3+])C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000346095349 409776500 /nfs/dbraw/zinc/77/65/00/409776500.db2.gz PSHLZQTUCOTBBT-CQSZACIVSA-N 1 0 315.377 1.918 20 5 DDBDRO C[C@H]([NH2+][C@@H]1CCCN(C)[C@H]1C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000342729205 409854481 /nfs/dbraw/zinc/85/44/81/409854481.db2.gz JPLSBIDUYWLTRU-RWMBFGLXSA-N 1 0 320.393 1.994 20 5 DDBDRO O=[N+]([O-])c1ccccc1N1CCN(C[C@@H]2COCCO2)CC1 ZINC000354616988 409971695 /nfs/dbraw/zinc/97/16/95/409971695.db2.gz WHRLLDXQHIETOP-CYBMUJFWSA-N 1 0 307.350 1.132 20 5 DDBDRO C[C@H]1CC[C@H](C)[NH+]1Cc1nc(-c2c([N+](=O)[O-])ncn2C)no1 ZINC000350911926 410011832 /nfs/dbraw/zinc/01/18/32/410011832.db2.gz UZOVTCXTVZJMJV-IUCAKERBSA-N 1 0 306.326 1.751 20 5 DDBDRO C[C@H]1C[C@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000357425037 410032563 /nfs/dbraw/zinc/03/25/63/410032563.db2.gz RNABGSZGIMXGOO-QWHCGFSZSA-N 1 0 321.377 1.963 20 5 DDBDRO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H]1C ZINC000346691741 410087009 /nfs/dbraw/zinc/08/70/09/410087009.db2.gz WAZSXXSPSZRMFJ-BXKDBHETSA-N 1 0 321.333 1.077 20 5 DDBDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000351753342 410212129 /nfs/dbraw/zinc/21/21/29/410212129.db2.gz FDSJLQOFXHIFOL-IUCAKERBSA-N 1 0 303.322 1.280 20 5 DDBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC[NH+](CCO)CC1 ZINC000347332622 410477158 /nfs/dbraw/zinc/47/71/58/410477158.db2.gz GUOMMKIDPYECRR-SDNWHVSQSA-N 1 0 305.378 1.608 20 5 DDBDRO Nc1c(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc(F)cc1[N+](=O)[O-] ZINC000299002305 410480420 /nfs/dbraw/zinc/48/04/20/410480420.db2.gz JWXRWTRYIVHTFN-NEPJUHHUSA-N 1 0 322.340 1.673 20 5 DDBDRO O=C(NCc1c[nH]cn1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000358596542 410491197 /nfs/dbraw/zinc/49/11/97/410491197.db2.gz WCUNXPAZYVRTDR-UHFFFAOYSA-N 1 0 301.306 1.822 20 5 DDBDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000301141885 410664871 /nfs/dbraw/zinc/66/48/71/410664871.db2.gz CDPZOKCWRGVHBW-MXWKQRLJSA-N 1 0 308.386 1.745 20 5 DDBDRO COCC[N@H+](C)CCCNc1nc2ccccc2cc1[N+](=O)[O-] ZINC000352361591 410647007 /nfs/dbraw/zinc/64/70/07/410647007.db2.gz RXPYLRRIZCLCNP-UHFFFAOYSA-N 1 0 318.377 2.523 20 5 DDBDRO CCn1nc(C)c([N+](=O)[O-])c1NCCCN1CC[NH+](C)CC1 ZINC000359414120 410649051 /nfs/dbraw/zinc/64/90/51/410649051.db2.gz GKAHNHFIIYAPAP-UHFFFAOYSA-N 1 0 310.402 1.169 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)c1 ZINC000343829903 410731731 /nfs/dbraw/zinc/73/17/31/410731731.db2.gz NHUCSGXQWPTVRC-HZMBPMFUSA-N 1 0 319.361 1.816 20 5 DDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@@H](OCC[NH+](C)C)C1 ZINC000359586545 410753435 /nfs/dbraw/zinc/75/34/35/410753435.db2.gz JZZIHPYSNMEOTE-GFCCVEGCSA-N 1 0 311.386 1.277 20 5 DDBDRO CCOc1cc(N2C[C@H]3OCC[N@H+](C)[C@H]3C2)ccc1[N+](=O)[O-] ZINC000301633395 410759462 /nfs/dbraw/zinc/75/94/62/410759462.db2.gz DIZVMCFTQYDSSY-DZGCQCFKSA-N 1 0 307.350 1.513 20 5 DDBDRO Cc1c(CC(=O)N2C[C@H](C)[N@@H+](C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000330581322 410798084 /nfs/dbraw/zinc/79/80/84/410798084.db2.gz JBGSCRZQYMPNPB-RYUDHWBXSA-N 1 0 305.378 1.997 20 5 DDBDRO CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1)[C@@H]1C[NH+]2CCC1CC2 ZINC000347936753 410802599 /nfs/dbraw/zinc/80/25/99/410802599.db2.gz XPHBWWYBAQHSAN-CQSZACIVSA-N 1 0 307.325 1.900 20 5 DDBDRO C[C@@H]1C[NH2+]C[C@H]1NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001120554160 782019227 /nfs/dbraw/zinc/01/92/27/782019227.db2.gz GJMKONXVZOWMOU-QMTHXVAHSA-N 1 0 304.350 1.270 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)n1 ZINC000356253895 410924594 /nfs/dbraw/zinc/92/45/94/410924594.db2.gz NKZSBITVCYXNFV-HNNXBMFYSA-N 1 0 321.381 1.369 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000344068253 410934759 /nfs/dbraw/zinc/93/47/59/410934759.db2.gz QIRRRIFZUGCELZ-SFDCQRBFSA-N 1 0 322.361 1.037 20 5 DDBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])cnc2N)C[C@@H]1C ZINC000353490964 411027002 /nfs/dbraw/zinc/02/70/02/411027002.db2.gz LOKGZRXUJWUTON-WDEREUQCSA-N 1 0 321.381 1.517 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)C1CC(O)C1 ZINC000353500889 411035567 /nfs/dbraw/zinc/03/55/67/411035567.db2.gz YFZZDNRSPNRTRE-UHFFFAOYSA-N 1 0 323.349 1.387 20 5 DDBDRO C[C@@H]([NH3+])C[C@H](C)NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000571560846 304470820 /nfs/dbraw/zinc/47/08/20/304470820.db2.gz HPFCJQXUCAOEFO-SFYZADRCSA-N 1 0 321.786 1.652 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@@H]2CCCOCC2)c1 ZINC000580709893 422949284 /nfs/dbraw/zinc/94/92/84/422949284.db2.gz PXJDAMITKODGJU-OCCSQVGLSA-N 1 0 310.350 1.493 20 5 DDBDRO [NH3+][C@H](CNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000133162712 196316853 /nfs/dbraw/zinc/31/68/53/196316853.db2.gz OEJXAFLARFWGNK-SECBINFHSA-N 1 0 319.770 1.264 20 5 DDBDRO C[C@H](CC[NH3+])NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000417991184 225538974 /nfs/dbraw/zinc/53/89/74/225538974.db2.gz NASVXOIHLKAGMN-SECBINFHSA-N 1 0 314.773 1.827 20 5 DDBDRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000418609720 225826152 /nfs/dbraw/zinc/82/61/52/225826152.db2.gz DVYKQJRFPDQWLS-ABAIWWIYSA-N 1 0 318.377 1.661 20 5 DDBDRO C[N@@H+]1CC[C@](O)(CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000358062408 299062189 /nfs/dbraw/zinc/06/21/89/299062189.db2.gz HTVXAXXVGZNKIE-ZDUSSCGKSA-N 1 0 313.741 1.045 20 5 DDBDRO C[C@@H]1OCC[C@]12C[N@H+](CCn1ccc([N+](=O)[O-])n1)C[C@@H](C)O2 ZINC000366085788 418428081 /nfs/dbraw/zinc/42/80/81/418428081.db2.gz HCLAASYLJSHRBE-DYEKYZERSA-N 1 0 310.354 1.060 20 5 DDBDRO C[C@H]1CN(c2ncccc2[N+](=O)[O-])CCN1C1CC[NH+](C)CC1 ZINC000374257142 418510772 /nfs/dbraw/zinc/51/07/72/418510772.db2.gz XZRGWZJBRIWOKU-ZDUSSCGKSA-N 1 0 319.409 1.595 20 5 DDBDRO O=[N+]([O-])c1ccc2nc(N3CCC([NH2+]CCO)CC3)ccc2c1 ZINC000290955424 222028866 /nfs/dbraw/zinc/02/88/66/222028866.db2.gz NPNFYMNSGLXQJW-UHFFFAOYSA-N 1 0 316.361 1.694 20 5 DDBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2c([N+](=O)[O-])ncn2C)C12CCOCC2 ZINC000367566891 418610709 /nfs/dbraw/zinc/61/07/09/418610709.db2.gz SYVJPBYBMCAYBT-QWHCGFSZSA-N 1 0 324.381 1.392 20 5 DDBDRO O=C1NC(=O)[C@H]2CCN(Cc3ccc(Cl)cc3[N+](=O)[O-])C[C@H]12 ZINC000367840327 418644180 /nfs/dbraw/zinc/64/41/80/418644180.db2.gz QDSKXAXHFFTWHW-QWRGUYRKSA-N 1 0 323.736 1.343 20 5 DDBDRO C[C@@H](c1nncn1C)N1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000367881547 418651516 /nfs/dbraw/zinc/65/15/16/418651516.db2.gz SDLZOKVFIWHHNH-WDEREUQCSA-N 1 0 305.342 1.318 20 5 DDBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000361293310 418619429 /nfs/dbraw/zinc/61/94/29/418619429.db2.gz WNBCFRFCADELGR-SMDDNHRTSA-N 1 0 304.350 1.546 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@H](O)c3ccccc3C2)c1 ZINC000368224466 418706977 /nfs/dbraw/zinc/70/69/77/418706977.db2.gz UHJFAIAKTIKXIE-HNNXBMFYSA-N 1 0 302.334 1.731 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H]2C(=O)NC[C@@H]2C1 ZINC000368072062 418684722 /nfs/dbraw/zinc/68/47/22/418684722.db2.gz ODNKGJJCUICUSI-DGCLKSJQSA-N 1 0 305.334 1.171 20 5 DDBDRO COc1cc(C[N@@H+]2CC[C@@H](CC(N)=O)C2)c([N+](=O)[O-])cc1OC ZINC000368134956 418694185 /nfs/dbraw/zinc/69/41/85/418694185.db2.gz NRKSZIISJLEGLB-JTQLQIEISA-N 1 0 323.349 1.309 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)n1 ZINC000408025347 418782480 /nfs/dbraw/zinc/78/24/80/418782480.db2.gz BCEFJGYNIBODNU-CHWSQXEVSA-N 1 0 306.366 1.516 20 5 DDBDRO Cc1nc(NC[C@H]2CCC[C@H]2[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000370531769 418746172 /nfs/dbraw/zinc/74/61/72/418746172.db2.gz UBFQIKDQPLPVMJ-UKRRQHHQSA-N 1 0 320.393 2.211 20 5 DDBDRO C[C@H](C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000388800466 418748298 /nfs/dbraw/zinc/74/82/98/418748298.db2.gz JKLSETSGSSJIDI-IUODEOHRSA-N 1 0 304.350 1.546 20 5 DDBDRO C[C@@H]1C[C@H](CNC(=O)[C@H]2C[C@H]2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000370990172 418755488 /nfs/dbraw/zinc/75/54/88/418755488.db2.gz BZKUJDSQYWJIFQ-DMRZNYOFSA-N 1 0 317.389 1.678 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@@H]([NH+]3CCCC3)C2)n1 ZINC000391412675 418757665 /nfs/dbraw/zinc/75/76/65/418757665.db2.gz WBCIKZFXCPQLCN-LLVKDONJSA-N 1 0 320.349 1.451 20 5 DDBDRO O=C(C[N@@H+]1CC[C@@H]([C@H]2CCOC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000371232283 418770054 /nfs/dbraw/zinc/77/00/54/418770054.db2.gz ROBIQQXDXUMAES-OLZOCXBDSA-N 1 0 319.361 1.892 20 5 DDBDRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc([N+](=O)[O-])cc1 ZINC000364468283 418778441 /nfs/dbraw/zinc/77/84/41/418778441.db2.gz ZOLKBZIFPFNPDL-ZIAGYGMSSA-N 1 0 305.334 1.188 20 5 DDBDRO Cn1ccnc1[C@@H](N[C@@H]1CCC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000423196832 227396549 /nfs/dbraw/zinc/39/65/49/227396549.db2.gz WMJYGMKBVKOEIQ-HIFRSBDPSA-N 1 0 315.377 1.759 20 5 DDBDRO [NH3+][C@@H]1CCC[C@@]12CCN(C(=O)COc1cccc([N+](=O)[O-])c1)C2 ZINC000372783501 418901425 /nfs/dbraw/zinc/90/14/25/418901425.db2.gz MMLMOYILOYWMGV-ZBFHGGJFSA-N 1 0 319.361 1.704 20 5 DDBDRO C[N@H+](C[C@@H]1CC12CCN(C(=O)[C@H]1C[C@@H]1[N+](=O)[O-])CC2)C1CC1 ZINC000372840211 418907459 /nfs/dbraw/zinc/90/74/59/418907459.db2.gz VWHYNTQPSQAING-UBHSHLNASA-N 1 0 307.394 1.375 20 5 DDBDRO O=C1CCCN1C[C@@H]1CCCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000365833395 418914568 /nfs/dbraw/zinc/91/45/68/418914568.db2.gz FSSZVOCZGFZNQM-ZDUSSCGKSA-N 1 0 321.381 1.268 20 5 DDBDRO C[C@@H]1CC2(CN1C(=O)CCn1cc([N+](=O)[O-])cn1)CC[NH2+]CC2 ZINC000424232764 228249495 /nfs/dbraw/zinc/24/94/95/228249495.db2.gz HTDPPVUUHOEEIL-GFCCVEGCSA-N 1 0 321.381 1.172 20 5 DDBDRO C[C@@H]1CCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000417947133 419412569 /nfs/dbraw/zinc/41/25/69/419412569.db2.gz RZOJKFJCEKILOI-OCCSQVGLSA-N 1 0 320.393 1.764 20 5 DDBDRO C[C@@H]1CC[C@@H](O)C[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000420996431 419431669 /nfs/dbraw/zinc/43/16/69/419431669.db2.gz ATNUYQRECVNQAN-BXUZGUMPSA-N 1 0 307.350 1.769 20 5 DDBDRO [NH3+][C@H]1CCN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000418002630 419462230 /nfs/dbraw/zinc/46/22/30/419462230.db2.gz YZJXUNVUEUQGNT-NSHDSACASA-N 1 0 312.757 1.533 20 5 DDBDRO Cc1c(CNC(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000418081631 419516808 /nfs/dbraw/zinc/51/68/08/419516808.db2.gz ODVRNWLRKRIUNM-ZWNOBZJWSA-N 1 0 306.366 1.782 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCc2nnnn2CC1 ZINC000421398252 419595280 /nfs/dbraw/zinc/59/52/80/419595280.db2.gz OALRVHDUDYSNMO-LBPRGKRZSA-N 1 0 302.338 1.384 20 5 DDBDRO CN(C(=O)CN1CC[C@@H]2[NH2+]CC[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000428036272 228695021 /nfs/dbraw/zinc/69/50/21/228695021.db2.gz GWZBKVACERVMPD-WFASDCNBSA-N 1 0 318.377 1.241 20 5 DDBDRO CC(C)[N@H+](CCOc1ccccc1[N+](=O)[O-])C[C@@H]1CCC(=O)N1 ZINC000412093750 419651032 /nfs/dbraw/zinc/65/10/32/419651032.db2.gz WPIXOVYHDZAWFK-ZDUSSCGKSA-N 1 0 321.377 1.963 20 5 DDBDRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000418576309 419882214 /nfs/dbraw/zinc/88/22/14/419882214.db2.gz ODGYDASIEMURHL-JSGCOSHPSA-N 1 0 320.393 1.777 20 5 DDBDRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000418588952 419888624 /nfs/dbraw/zinc/88/86/24/419888624.db2.gz IIHJHNIZPDYVKW-TZMCWYRMSA-N 1 0 320.393 1.777 20 5 DDBDRO C[C@H](CCC[NH3+])NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000418684331 419933092 /nfs/dbraw/zinc/93/30/92/419933092.db2.gz HHYKMUFWTJLITB-GFCCVEGCSA-N 1 0 308.382 1.906 20 5 DDBDRO C[C@H](CCC[NH3+])NC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000418698287 419940109 /nfs/dbraw/zinc/94/01/09/419940109.db2.gz HDUOPTXOTXQWEZ-LLVKDONJSA-N 1 0 322.365 1.626 20 5 DDBDRO C[C@@H]1CN(CCn2ccc([N+](=O)[O-])n2)CC[N@@H+](C2CCC2)C1 ZINC000429354202 420008205 /nfs/dbraw/zinc/00/82/05/420008205.db2.gz MICGVRSKNSCSTK-CYBMUJFWSA-N 1 0 307.398 1.598 20 5 DDBDRO COc1ccc(NC(=O)N2CC[C@@]3(CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000415440301 420066443 /nfs/dbraw/zinc/06/64/43/420066443.db2.gz NYLBLLXEBUDNOW-OAHLLOKOSA-N 1 0 320.349 1.821 20 5 DDBDRO COC[C@]1(CNC(=O)Cc2cccc([N+](=O)[O-])c2C)CCC[NH2+]1 ZINC000423635201 420108061 /nfs/dbraw/zinc/10/80/61/420108061.db2.gz ORNKUQOCPWMKDC-MRXNPFEDSA-N 1 0 321.377 1.331 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[NH2+]CC1 ZINC000415649343 420135291 /nfs/dbraw/zinc/13/52/91/420135291.db2.gz DGWHQAHZKJVBDO-UHFFFAOYSA-N 1 0 308.338 1.821 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000415659863 420140066 /nfs/dbraw/zinc/14/00/66/420140066.db2.gz WIBVXUFFMODQPM-WDEREUQCSA-N 1 0 320.349 1.228 20 5 DDBDRO C[C@@H](Nc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H]1CCC[NH2+]C1 ZINC000420168587 420140611 /nfs/dbraw/zinc/14/06/11/420140611.db2.gz QJKYDFBAVYBJMG-ZYHUDNBSSA-N 1 0 317.349 2.445 20 5 DDBDRO COc1ccc(NC(=O)N2CCC(C[NH3+])CC2)cc1[N+](=O)[O-] ZINC000415453611 420074226 /nfs/dbraw/zinc/07/42/26/420074226.db2.gz ZEFNFLNAJWMVAL-UHFFFAOYSA-N 1 0 308.338 1.806 20 5 DDBDRO COC(=O)c1cc(C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000423591571 420092312 /nfs/dbraw/zinc/09/23/12/420092312.db2.gz JMSOLGWSOCCESG-TVQRCGJNSA-N 1 0 321.333 1.109 20 5 DDBDRO C[C@@H]1CC[NH2+]C[C@H]1Nc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000420238990 420164154 /nfs/dbraw/zinc/16/41/54/420164154.db2.gz LKNZMNSNYDQAEA-BXKDBHETSA-N 1 0 303.322 2.055 20 5 DDBDRO CN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1(C[NH3+])CCC1 ZINC000420332740 420216125 /nfs/dbraw/zinc/21/61/25/420216125.db2.gz SHIIXDTXHUJCKA-UHFFFAOYSA-N 1 0 317.349 1.958 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CC[NH2+][C@@H](C)C1 ZINC000420343487 420223253 /nfs/dbraw/zinc/22/32/53/420223253.db2.gz ZKCNGBBHTDJSOM-WDEREUQCSA-N 1 0 322.365 1.224 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](C[NH3+])C(C)(C)C ZINC000420366981 420240325 /nfs/dbraw/zinc/24/03/25/420240325.db2.gz RSPOTDYPNVWOJG-CYBMUJFWSA-N 1 0 324.381 1.505 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1CN1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000420392852 420259295 /nfs/dbraw/zinc/25/92/95/420259295.db2.gz PVJVGUUVYZOQLK-QWHCGFSZSA-N 1 0 319.340 1.394 20 5 DDBDRO Cc1c(NC(=O)CCN2C[C@@H](C)[NH2+]C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000420404730 420264532 /nfs/dbraw/zinc/26/45/32/420264532.db2.gz SKEQMWILFOMICU-NEPJUHHUSA-N 1 0 320.393 1.914 20 5 DDBDRO C[NH2+]CCCN(C)S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000420470921 420307331 /nfs/dbraw/zinc/30/73/31/420307331.db2.gz OMPJVOYYXGQWAZ-UHFFFAOYSA-N 1 0 315.395 1.008 20 5 DDBDRO C[NH+](C)C1(CNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1 ZINC000416306011 420321095 /nfs/dbraw/zinc/32/10/95/420321095.db2.gz DWBSOCAAQKYMDY-UHFFFAOYSA-N 1 0 302.334 1.900 20 5 DDBDRO C[NH+](C)[C@H]1CCC[C@H](Nc2c(C(N)=O)cccc2[N+](=O)[O-])C1 ZINC000420598830 420328251 /nfs/dbraw/zinc/32/82/51/420328251.db2.gz KHQDRVOJSBWBEU-QWRGUYRKSA-N 1 0 306.366 1.978 20 5 DDBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1c1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420635551 420337074 /nfs/dbraw/zinc/33/70/74/420337074.db2.gz ZLDIJIYXCHTNNG-RYUDHWBXSA-N 1 0 318.377 1.757 20 5 DDBDRO Cc1cc(S(=O)(=O)N[C@H]2CCC[C@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000445560750 230183147 /nfs/dbraw/zinc/18/31/47/230183147.db2.gz ZXGSWIXXROIGCA-QWRGUYRKSA-N 1 0 313.379 1.451 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC(Oc3ccccn3)CC2)n1 ZINC000437897863 420429255 /nfs/dbraw/zinc/42/92/55/420429255.db2.gz RNBCHCBJUSQUFM-UHFFFAOYSA-N 1 0 317.349 1.730 20 5 DDBDRO C[C@@H]([NH3+])[C@@H](C)NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000417716196 420459019 /nfs/dbraw/zinc/45/90/19/420459019.db2.gz JKAHVFLTBXNUED-VXGBXAGGSA-N 1 0 308.382 1.952 20 5 DDBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CCC[NH2+]CC1 ZINC000417732226 420462745 /nfs/dbraw/zinc/46/27/45/420462745.db2.gz SONCKIZVYCREPT-UHFFFAOYSA-N 1 0 320.393 1.922 20 5 DDBDRO [NH3+]CC1CCN(C(=O)NCCc2ccccc2[N+](=O)[O-])CC1 ZINC000417767807 420473341 /nfs/dbraw/zinc/47/33/41/420473341.db2.gz RCDQKADNLLHPHF-UHFFFAOYSA-N 1 0 306.366 1.518 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)CSc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000453023684 420702708 /nfs/dbraw/zinc/70/27/08/420702708.db2.gz DKCMXPLENMHPKS-YPMHNXCESA-N 1 0 321.402 1.849 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@@H](C[NH3+])C[C@H]1C ZINC000442755895 420708122 /nfs/dbraw/zinc/70/81/22/420708122.db2.gz JNCUANNMBPDUTE-VXGBXAGGSA-N 1 0 306.366 1.511 20 5 DDBDRO O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCC2(CC[NH2+]2)CC1 ZINC000493189149 420780944 /nfs/dbraw/zinc/78/09/44/420780944.db2.gz LUMUVHAGUIYFCA-AATRIKPKSA-N 1 0 301.346 1.963 20 5 DDBDRO C[C@@H]1CN(CCO)CCN1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000493392997 420836998 /nfs/dbraw/zinc/83/69/98/420836998.db2.gz RGDQNIDBGATEGH-WXJAXGNASA-N 1 0 319.361 1.133 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCS(C)(=O)=O ZINC000449131608 420956878 /nfs/dbraw/zinc/95/68/78/420956878.db2.gz OEVFHRYBGVOAFQ-LLVKDONJSA-N 1 0 300.380 1.550 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCN1CCCOCC1 ZINC000449323683 420991638 /nfs/dbraw/zinc/99/16/38/420991638.db2.gz ALVIRODZYZCOTO-CQSZACIVSA-N 1 0 307.394 1.838 20 5 DDBDRO CC(C)(C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1)n1cc([N+](=O)[O-])cn1 ZINC000449647038 421043750 /nfs/dbraw/zinc/04/37/50/421043750.db2.gz OXQHRPMHOKDYRD-GHMZBOCLSA-N 1 0 309.370 1.160 20 5 DDBDRO CC(C)(C(=O)NC[C@H]1CCC[C@H]([NH3+])C1)n1cc([N+](=O)[O-])cn1 ZINC000449647043 421044496 /nfs/dbraw/zinc/04/44/96/421044496.db2.gz OXQHRPMHOKDYRD-QWRGUYRKSA-N 1 0 309.370 1.160 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC[C@](C)(O)COC ZINC000449384442 421003447 /nfs/dbraw/zinc/00/34/47/421003447.db2.gz NNXKDBIAJOOQSD-HNNXBMFYSA-N 1 0 312.366 1.871 20 5 DDBDRO CN(CC(=O)N[C@@H](CC[NH3+])C(F)F)c1ccccc1[N+](=O)[O-] ZINC000449623466 421040369 /nfs/dbraw/zinc/04/03/69/421040369.db2.gz LUWABFQZHILRKA-VIFPVBQESA-N 1 0 316.308 1.130 20 5 DDBDRO CCCCNC(=O)CC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000489030306 421132541 /nfs/dbraw/zinc/13/25/41/421132541.db2.gz XJPNOGPAALEZQF-UHFFFAOYSA-N 1 0 323.397 1.735 20 5 DDBDRO CNc1nc(C(=O)N[C@H]2CCC[N@H+](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000456017553 421090049 /nfs/dbraw/zinc/09/00/49/421090049.db2.gz ZBKHHBNCDGUFIE-ZJUUUORDSA-N 1 0 307.354 1.244 20 5 DDBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000449739012 421071033 /nfs/dbraw/zinc/07/10/33/421071033.db2.gz HXACJTURAFLDJG-WDMOLILDSA-N 1 0 321.402 1.896 20 5 DDBDRO CC[C@H]1C[N@H+](CC)CCN1C(=O)c1ccc([N+](=O)[O-])c(NC)n1 ZINC000456357982 421149024 /nfs/dbraw/zinc/14/90/24/421149024.db2.gz STPCNWPTICWYJX-NSHDSACASA-N 1 0 321.381 1.588 20 5 DDBDRO COC(=O)Cc1ccc(N[C@H]2CC[N@@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000450279458 421176366 /nfs/dbraw/zinc/17/63/66/421176366.db2.gz VHGUUFITBFQCBR-LBPRGKRZSA-N 1 0 319.361 1.959 20 5 DDBDRO CC[NH+]1C[C@@H](C)N(C(=O)c2cccc([N+](=O)[O-])c2N)[C@H](C)C1 ZINC000515310697 421491516 /nfs/dbraw/zinc/49/15/16/421491516.db2.gz YJCRQJQQVAEOII-GHMZBOCLSA-N 1 0 306.366 1.732 20 5 DDBDRO C[C@H](CCNC(=O)c1ccnc(N)c1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000516783248 421567859 /nfs/dbraw/zinc/56/78/59/421567859.db2.gz CJGKTTMFBRMBDK-LLVKDONJSA-N 1 0 321.381 1.566 20 5 DDBDRO Cc1ccc(C(=O)NC[C@]2(O)C[NH+]3CCC2CC3)cc1[N+](=O)[O-] ZINC000552208562 421579043 /nfs/dbraw/zinc/57/90/43/421579043.db2.gz RVNUTAAKSUREGH-INIZCTEOSA-N 1 0 319.361 1.090 20 5 DDBDRO Cn1cc([C@@H]2C[N@H+](Cc3c([N+](=O)[O-])ncn3C)CC2(C)C)cn1 ZINC000571341435 421706830 /nfs/dbraw/zinc/70/68/30/421706830.db2.gz LEBARNAKWSGBFX-LBPRGKRZSA-N 1 0 318.381 1.687 20 5 DDBDRO CNc1nccc(C(=O)NC[C@H](CC(C)C)[NH+](C)C)c1[N+](=O)[O-] ZINC000572176850 421767328 /nfs/dbraw/zinc/76/73/28/421767328.db2.gz KQDUYFQZROMCSX-NSHDSACASA-N 1 0 323.397 1.738 20 5 DDBDRO CC[C@@H]1C[N@H+](C)CCN1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000581414159 421965312 /nfs/dbraw/zinc/96/53/12/421965312.db2.gz QFKPYJBCDJWJMO-CYBMUJFWSA-N 1 0 306.366 1.830 20 5 DDBDRO CCc1ccc(S(=O)(=O)N[C@H](C)C[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000574277234 422087862 /nfs/dbraw/zinc/08/78/62/422087862.db2.gz TVOJYZNGHFNVGM-VHSXEESVSA-N 1 0 315.395 1.561 20 5 DDBDRO Cc1cncc(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000582057708 422098305 /nfs/dbraw/zinc/09/83/05/422098305.db2.gz BFOOXURVAVGTFS-HNNXBMFYSA-N 1 0 317.345 1.828 20 5 DDBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2ccnc(NC)c2[N+](=O)[O-])C[C@@H]1C ZINC000584788293 422300858 /nfs/dbraw/zinc/30/08/58/422300858.db2.gz KNBGKSYFTYFFLN-WDEREUQCSA-N 1 0 321.381 1.586 20 5 DDBDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2ccnc(NC)c2[N+](=O)[O-])C[C@@H]1C ZINC000584788292 422301394 /nfs/dbraw/zinc/30/13/94/422301394.db2.gz KNBGKSYFTYFFLN-QWRGUYRKSA-N 1 0 321.381 1.586 20 5 DDBDRO Cc1nn(C)c(C(=O)N(CC[NH3+])Cc2ccccc2)c1[N+](=O)[O-] ZINC000184177982 263385350 /nfs/dbraw/zinc/38/53/50/263385350.db2.gz UICXCVZEOHJAFQ-UHFFFAOYSA-N 1 0 317.349 1.238 20 5 DDBDRO C[C@H]([NH2+][C@@H]1CCCN(C)[C@@H]1C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000342729208 271492513 /nfs/dbraw/zinc/49/25/13/271492513.db2.gz JPLSBIDUYWLTRU-YNEHKIRRSA-N 1 0 320.393 1.994 20 5 DDBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC(=O)N1CCOCC1 ZINC000344833983 272126377 /nfs/dbraw/zinc/12/63/77/272126377.db2.gz PHUPBKQQEGGKBA-UKTHLTGXSA-N 1 0 319.361 1.447 20 5 DDBDRO C[C@@H](CO)[N@@H+]1CCCN(c2ccc([N+](=O)[O-])c(N)c2F)CC1 ZINC000345004406 272154784 /nfs/dbraw/zinc/15/47/84/272154784.db2.gz ANZCOJNAMTWKAZ-JTQLQIEISA-N 1 0 312.345 1.209 20 5 DDBDRO C[C@@H]1CCCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)[C@@H]1C[NH3+] ZINC000156654502 274289821 /nfs/dbraw/zinc/28/98/21/274289821.db2.gz FIMBZDGVSAXHPG-NOZJJQNGSA-N 1 0 317.349 1.671 20 5 DDBDRO C[C@H]([NH2+][C@@H](C)[C@@H]1CCOC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000266268660 274518238 /nfs/dbraw/zinc/51/82/38/274518238.db2.gz AZILPVGSHVAWJW-SDDRHHMPSA-N 1 0 307.350 1.936 20 5 DDBDRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000418537996 274565048 /nfs/dbraw/zinc/56/50/48/274565048.db2.gz ACVKBBFSHCWBJK-XHDPSFHLSA-N 1 0 318.377 1.661 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@@H]1Cc2cccc(O)c2C1 ZINC000429301272 275044071 /nfs/dbraw/zinc/04/40/71/275044071.db2.gz LCWMGCPXQMTJFJ-GFCCVEGCSA-N 1 0 315.329 1.219 20 5 DDBDRO CC(C)(C[NH+]1CCCC1)NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000457042929 275548194 /nfs/dbraw/zinc/54/81/94/275548194.db2.gz WHYRIYRVTQYEAC-UHFFFAOYSA-N 1 0 321.377 1.964 20 5 DDBDRO CCOC[C@@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000459711059 276330561 /nfs/dbraw/zinc/33/05/61/276330561.db2.gz LVONBXMSGVPNAT-AWEZNQCLSA-N 1 0 309.366 1.648 20 5 DDBDRO C[NH2+]C[C@@H](C)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000237175148 277025355 /nfs/dbraw/zinc/02/53/55/277025355.db2.gz ZKYFEADHGPXADX-GFCCVEGCSA-N 1 0 306.366 1.099 20 5 DDBDRO C[NH2+][C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)C1 ZINC000053203025 277039410 /nfs/dbraw/zinc/03/94/10/277039410.db2.gz KKPCIHIRIKXDLO-LLVKDONJSA-N 1 0 313.379 1.276 20 5 DDBDRO C[N@@H+]1CC[C@@]2(CCN(c3cccc(C(N)=O)c3[N+](=O)[O-])C2)C1 ZINC000488767897 277161100 /nfs/dbraw/zinc/16/11/00/277161100.db2.gz LJRPKPDSVWXJPK-OAHLLOKOSA-N 1 0 304.350 1.226 20 5 DDBDRO COC(=O)c1cnc(N2CCC([NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000302671142 277167890 /nfs/dbraw/zinc/16/78/90/277167890.db2.gz DSHCBGDUOOFOSZ-UHFFFAOYSA-N 1 0 308.338 1.307 20 5 DDBDRO CO[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2C)[C@@H](C[NH3+])C1 ZINC000262337221 277654358 /nfs/dbraw/zinc/65/43/58/277654358.db2.gz TZDRVPNJEJWQNI-VXGBXAGGSA-N 1 0 307.350 1.482 20 5 DDBDRO COc1cccc(N2CCC([N@H+](C)CCCO)CC2)c1[N+](=O)[O-] ZINC000185425702 278015701 /nfs/dbraw/zinc/01/57/01/278015701.db2.gz KHAPILNSLWAZTI-UHFFFAOYSA-N 1 0 323.393 1.886 20 5 DDBDRO C[C@@H](C[NH+]1CCCCCC1)NC(=O)c1cc([N+](=O)[O-])nn1C ZINC000357030596 278255088 /nfs/dbraw/zinc/25/50/88/278255088.db2.gz BCNAEDUJOPJPFM-NSHDSACASA-N 1 0 309.370 1.323 20 5 DDBDRO C[C@@H]([NH3+])[C@@H](C)NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000449584491 278311026 /nfs/dbraw/zinc/31/10/26/278311026.db2.gz DCDKTXJAFICTTH-HLTSFMKQSA-N 1 0 315.757 1.867 20 5 DDBDRO C[C@H]1CN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000252724574 278439034 /nfs/dbraw/zinc/43/90/34/278439034.db2.gz XRRXVRVZBCUBGY-WCBMZHEXSA-N 1 0 317.342 1.092 20 5 DDBDRO C[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)[C@@H](C[NH3+])C1 ZINC000420417964 279726413 /nfs/dbraw/zinc/72/64/13/279726413.db2.gz FSQSDEZWBAPADB-DTWKUNHWSA-N 1 0 319.408 1.404 20 5 DDBDRO C[C@H]1[C@@H]([NH3+])CCN1c1c(Br)cncc1[N+](=O)[O-] ZINC000261548524 280100037 /nfs/dbraw/zinc/10/00/37/280100037.db2.gz JMMPXQORALRGJY-XPUUQOCRSA-N 1 0 301.144 1.678 20 5 DDBDRO O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261809430 280163167 /nfs/dbraw/zinc/16/31/67/280163167.db2.gz ZPYSMRAABLTHCN-NXEZZACHSA-N 1 0 309.753 1.930 20 5 DDBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000125286492 281205801 /nfs/dbraw/zinc/20/58/01/281205801.db2.gz LJSJMAZWIYLTEW-CYBMUJFWSA-N 1 0 318.377 1.757 20 5 DDBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)C[C@H]1CCOC1 ZINC000247212256 282038528 /nfs/dbraw/zinc/03/85/28/282038528.db2.gz XZCLADODYOWOBH-VXGBXAGGSA-N 1 0 307.350 1.890 20 5 DDBDRO NC(=O)CC1(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000421892625 295037443 /nfs/dbraw/zinc/03/74/43/295037443.db2.gz WOQILEUKEGNWJL-NWDGAFQWSA-N 1 0 321.381 1.520 20 5 DDBDRO [NH3+]CC[C@@H](NC(=O)COc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000449727400 295235375 /nfs/dbraw/zinc/23/53/75/295235375.db2.gz PQAIQOHZOGNYCI-SNVBAGLBSA-N 1 0 321.255 1.370 20 5 DDBDRO COCCO[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000362508950 300081579 /nfs/dbraw/zinc/08/15/79/300081579.db2.gz ZQEHAFUPHCCDMX-GDBMZVCRSA-N 1 0 324.377 1.813 20 5 DDBDRO C[N@@H+]1CCC[C@@H](N2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000362940575 300183775 /nfs/dbraw/zinc/18/37/75/300183775.db2.gz GMQFHPVMTOFILI-QGZVFWFLSA-N 1 0 318.421 1.807 20 5 DDBDRO [NH3+][C@H]1CCC[C@]12CCN(C(=O)Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000364252112 300362645 /nfs/dbraw/zinc/36/26/45/300362645.db2.gz BZXUIFRXRZLRIK-GOEBONIOSA-N 1 0 303.362 1.867 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000365340745 300500788 /nfs/dbraw/zinc/50/07/88/300500788.db2.gz BZKBEVUTNJOURW-IOASZLSFSA-N 1 0 322.361 1.492 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CCCn2cccn2)c1 ZINC000574935718 304699433 /nfs/dbraw/zinc/69/94/33/304699433.db2.gz RMKIVAXKYYQMLU-AWEZNQCLSA-N 1 0 320.349 1.211 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(F)cc3[N+](=O)[O-])C[C@H]21 ZINC000368590253 301060196 /nfs/dbraw/zinc/06/01/96/301060196.db2.gz KJKJCAFWGXTFHR-QMTHXVAHSA-N 1 0 307.325 1.900 20 5 DDBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc(F)cc3[N+](=O)[O-])C[C@@H]21 ZINC000368590251 301060278 /nfs/dbraw/zinc/06/02/78/301060278.db2.gz KJKJCAFWGXTFHR-HZMBPMFUSA-N 1 0 307.325 1.900 20 5 DDBDRO CC[C@@H]1C[N@@H+]2CCCC[C@H]2CN1Cc1c([N+](=O)[O-])ncn1C ZINC000375869458 302007714 /nfs/dbraw/zinc/00/77/14/302007714.db2.gz AGBULJABLODGJF-OLZOCXBDSA-N 1 0 307.398 1.777 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000278815970 302039194 /nfs/dbraw/zinc/03/91/94/302039194.db2.gz UDINCEYFXYPBOU-ZDUSSCGKSA-N 1 0 321.377 1.480 20 5 DDBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)COc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000376360919 302067927 /nfs/dbraw/zinc/06/79/27/302067927.db2.gz QMCJOIUBSJAJCA-NILFDRSVSA-N 1 0 319.361 1.559 20 5 DDBDRO COc1ccc(S(=O)(=O)NC(C)(C)CC[NH3+])cc1[N+](=O)[O-] ZINC000397188130 302352359 /nfs/dbraw/zinc/35/23/59/302352359.db2.gz MYTSBXQDRRHZIB-UHFFFAOYSA-N 1 0 317.367 1.009 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC[C@H](C)C[NH3+])c1C ZINC000447243547 302395332 /nfs/dbraw/zinc/39/53/32/302395332.db2.gz HSEZUQPCPRBXFE-MRVPVSSYSA-N 1 0 301.368 1.085 20 5 DDBDRO COC[C@](C)(O)C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000517070398 302805840 /nfs/dbraw/zinc/80/58/40/302805840.db2.gz BTWGAJNYFAOPCH-YRGRVCCFSA-N 1 0 312.370 1.262 20 5 DDBDRO Cc1cc(C)c(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c(C)c1 ZINC000519540827 302839883 /nfs/dbraw/zinc/83/98/83/302839883.db2.gz NIBOPOZCGVZPPH-HNNXBMFYSA-N 1 0 318.377 1.867 20 5 DDBDRO CCc1ncc(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)o1 ZINC000519597565 302843386 /nfs/dbraw/zinc/84/33/86/302843386.db2.gz YTLSYYUGFPLLFL-GFCCVEGCSA-N 1 0 321.333 1.675 20 5 DDBDRO COC(C)(C)C[N@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000531829408 303259915 /nfs/dbraw/zinc/25/99/15/303259915.db2.gz HIDDBKIFLGPWJN-ZDUSSCGKSA-N 1 0 312.366 1.691 20 5 DDBDRO C[C@@H]1C[NH+](CCCNC(=O)c2ccc([N+](=O)[O-])cn2)C[C@@H](C)O1 ZINC000532397893 303285023 /nfs/dbraw/zinc/28/50/23/303285023.db2.gz RQYDDURUGJALKF-VXGBXAGGSA-N 1 0 322.365 1.219 20 5 DDBDRO O=C(CC[NH2+]C[C@H]1CCCOC1)Nc1ccccc1[N+](=O)[O-] ZINC000558572751 303775133 /nfs/dbraw/zinc/77/51/33/303775133.db2.gz JKFQQBPUXVALRC-GFCCVEGCSA-N 1 0 307.350 1.940 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@@H]1CCCC12CCOCC2 ZINC000282168300 304818147 /nfs/dbraw/zinc/81/81/47/304818147.db2.gz UXYCJENIAURAQC-CQSZACIVSA-N 1 0 321.377 1.695 20 5 DDBDRO CC(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000363593315 307032277 /nfs/dbraw/zinc/03/22/77/307032277.db2.gz XYTZNWXWUQWIMD-KBPBESRZSA-N 1 0 321.381 1.267 20 5 DDBDRO Cc1ccc(C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1[N+](=O)[O-] ZINC000364060011 307040781 /nfs/dbraw/zinc/04/07/81/307040781.db2.gz JYAQKKUFFJESKE-KGLIPLIRSA-N 1 0 319.361 1.496 20 5 DDBDRO C[C@@H]1CN(CC[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)CCO1 ZINC000367255499 307090005 /nfs/dbraw/zinc/09/00/05/307090005.db2.gz XUOWVYTWYFJSNA-CYBMUJFWSA-N 1 0 323.397 1.149 20 5 DDBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N[C@@H]1CCC[NH2+]CC1 ZINC000368713041 307108438 /nfs/dbraw/zinc/10/84/38/307108438.db2.gz SQKBCRPKYOKWQH-GFCCVEGCSA-N 1 0 307.350 1.622 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@H](OCC2CC2)C1 ZINC000368793276 307109898 /nfs/dbraw/zinc/10/98/98/307109898.db2.gz URGHSFCMPWFLND-HNNXBMFYSA-N 1 0 321.377 1.648 20 5 DDBDRO C[N@@H+]1CC[C@H]2CCN(c3ccc4ncc([N+](=O)[O-])n4n3)C[C@H]21 ZINC000375047436 307217978 /nfs/dbraw/zinc/21/79/78/307217978.db2.gz DDQQTRDWIAFFNO-WDEREUQCSA-N 1 0 302.338 1.168 20 5 DDBDRO O=C1CC[C@@H]([NH2+]CCOc2ccccc2[N+](=O)[O-])[C@@H](C2CC2)N1 ZINC000375336845 307223038 /nfs/dbraw/zinc/22/30/38/307223038.db2.gz KHZNEHUTKJQRLA-MLGOLLRUSA-N 1 0 319.361 1.620 20 5 DDBDRO O=C(C[NH2+][C@@H]1CCO[C@H]1C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000375440606 307226721 /nfs/dbraw/zinc/22/67/21/307226721.db2.gz YCTPYWFENONTTA-DOMZBBRYSA-N 1 0 305.334 1.690 20 5 DDBDRO [NH2+]=C(NO)[C@@H]1CCCCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000376079644 307237692 /nfs/dbraw/zinc/23/76/92/307237692.db2.gz GGYIKWWGQXMOBS-QWHCGFSZSA-N 1 0 308.338 1.439 20 5 DDBDRO O=C(/C=C\c1ccccc1[N+](=O)[O-])N1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC000404028033 307297556 /nfs/dbraw/zinc/29/75/56/307297556.db2.gz VWPZBNBDWDOQGL-YTELKSAQSA-N 1 0 317.345 1.197 20 5 DDBDRO CC[C@@H](C)[C@H]([NH3+])C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000518188552 307441317 /nfs/dbraw/zinc/44/13/17/307441317.db2.gz WYRKRYHMQOOBTR-MFKMUULPSA-N 1 0 309.370 1.328 20 5 DDBDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 ZINC000519823063 307454497 /nfs/dbraw/zinc/45/44/97/307454497.db2.gz NCBMCILWCBQUJP-VHSXEESVSA-N 1 0 321.333 1.175 20 5 DDBDRO C[C@@H](F)CC[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000566121363 308044406 /nfs/dbraw/zinc/04/44/06/308044406.db2.gz FAZNSTNKRCBJLA-SNVBAGLBSA-N 1 0 304.343 1.706 20 5 DDBDRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000566850373 308065048 /nfs/dbraw/zinc/06/50/48/308065048.db2.gz SSUHJWKMYNWAIS-GXSJLCMTSA-N 1 0 321.333 1.665 20 5 DDBDRO CC[C@@H](CC(F)(F)F)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000570794850 308179961 /nfs/dbraw/zinc/17/99/61/308179961.db2.gz DMZDAQCXLDUDJE-WPRPVWTQSA-N 1 0 310.276 1.473 20 5 DDBDRO C[C@@H]1C[C@@H](C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000573199265 308233147 /nfs/dbraw/zinc/23/31/47/308233147.db2.gz RKQPCKDZEAAXFM-VNHYZAJKSA-N 1 0 324.377 1.739 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]Cc1ccc(O)cc1 ZINC000576339702 308307458 /nfs/dbraw/zinc/30/74/58/308307458.db2.gz WLEBYKNJAOIODE-CQSZACIVSA-N 1 0 318.329 1.830 20 5 DDBDRO CC[C@@H](O)CC[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000576876726 308346278 /nfs/dbraw/zinc/34/62/78/308346278.db2.gz VKICSLVAZWHMLT-GFCCVEGCSA-N 1 0 316.379 1.119 20 5 DDBDRO COc1ccc([C@@H](C[NH3+])Cn2ccc(=O)c([N+](=O)[O-])c2)cc1 ZINC000576940585 308350990 /nfs/dbraw/zinc/35/09/90/308350990.db2.gz SRMFIVXIHNYJKR-LBPRGKRZSA-N 1 0 303.318 1.508 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NCCCCC[NH+]1CCCC1 ZINC000578569325 308470418 /nfs/dbraw/zinc/47/04/18/308470418.db2.gz STJIBWZZIXHMMA-UHFFFAOYSA-N 1 0 308.382 1.929 20 5 DDBDRO CSC1(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000578981565 308498421 /nfs/dbraw/zinc/49/84/21/308498421.db2.gz OFBDZOPJGSCCFL-NSHDSACASA-N 1 0 312.391 1.820 20 5 DDBDRO C[C@H](C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000388800461 325772389 /nfs/dbraw/zinc/77/23/89/325772389.db2.gz JKLSETSGSSJIDI-DOMZBBRYSA-N 1 0 304.350 1.546 20 5 DDBDRO CCCN(C(=O)c1ccc(NC)c([N+](=O)[O-])c1)[C@H]1CC[NH2+]C1 ZINC000581368387 325839960 /nfs/dbraw/zinc/83/99/60/325839960.db2.gz DXQFRLCXVYPLCG-LBPRGKRZSA-N 1 0 306.366 1.851 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000582540389 337106750 /nfs/dbraw/zinc/10/67/50/337106750.db2.gz XKJSXQGFHZFHIV-BETUJISGSA-N 1 0 303.362 1.845 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC[C@@H](c3cccnc3)C2)c1 ZINC000582724548 337125602 /nfs/dbraw/zinc/12/56/02/337125602.db2.gz ZVZXYFQCZZVFDK-HIFRSBDPSA-N 1 0 317.349 1.037 20 5 DDBDRO COc1cc(CN2CC[N@H+](CCO)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000452136163 533810443 /nfs/dbraw/zinc/81/04/43/533810443.db2.gz XMFXCRPNSWORDN-GFCCVEGCSA-N 1 0 309.366 1.102 20 5 DDBDRO C[C@@H]1CCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)[C@@H](C[NH3+])C1 ZINC000417236479 533966325 /nfs/dbraw/zinc/96/63/25/533966325.db2.gz ULPOHZBLPMLXQU-IUODEOHRSA-N 1 0 320.393 1.906 20 5 DDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCC(=O)N(C)C1=O ZINC000424311799 534253929 /nfs/dbraw/zinc/25/39/29/534253929.db2.gz FTKWPPZEHRPAPT-JQWIXIFHSA-N 1 0 305.334 1.263 20 5 DDBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000293494404 534465957 /nfs/dbraw/zinc/46/59/57/534465957.db2.gz SDMLRPKZAHDUPQ-ZFWWWQNUSA-N 1 0 303.362 1.738 20 5 DDBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000417952257 534471241 /nfs/dbraw/zinc/47/12/41/534471241.db2.gz XXYSCGZQVVCTNF-INIZCTEOSA-N 1 0 318.377 1.532 20 5 DDBDRO [NH3+]C1(CNC(=O)c2cc([N+](=O)[O-])n[nH]2)C2CC3CC(C2)CC1C3 ZINC000424048488 534547256 /nfs/dbraw/zinc/54/72/56/534547256.db2.gz WZQRBZZERAKTGI-UHFFFAOYSA-N 1 0 319.365 1.201 20 5 DDBDRO O=[N+]([O-])c1ccc2[nH]c(N[C@@H]3CCC[N@@H+](CCCO)C3)nc2c1 ZINC000295006584 534883602 /nfs/dbraw/zinc/88/36/02/534883602.db2.gz SAZSWNVOVMZRPG-LLVKDONJSA-N 1 0 319.365 1.730 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)NCCC[N@@H+](C)C(C)C)c1[N+](=O)[O-] ZINC000433826384 527999609 /nfs/dbraw/zinc/99/96/09/527999609.db2.gz OCIYMLYDMOHRSB-UHFFFAOYSA-N 1 0 311.386 1.901 20 5 DDBDRO CC[N@H+](CCNC(=O)c1cc([N+](=O)[O-])c[nH]1)CCC(F)(F)F ZINC000493366032 528504205 /nfs/dbraw/zinc/50/42/05/528504205.db2.gz RKNVSOLJERBIAP-UHFFFAOYSA-N 1 0 322.287 1.927 20 5 DDBDRO CCOC(=O)CC1([NH2+]CCn2cc([N+](=O)[O-])cn2)CCCC1 ZINC000434616571 528667898 /nfs/dbraw/zinc/66/78/98/528667898.db2.gz QYDLYGSVNLRTNR-UHFFFAOYSA-N 1 0 310.354 1.647 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422882913 528692462 /nfs/dbraw/zinc/69/24/62/528692462.db2.gz PONNZLPVNGTTCB-NEPJUHHUSA-N 1 0 319.361 1.960 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000423608179 528693554 /nfs/dbraw/zinc/69/35/54/528693554.db2.gz LIQVSIYNXQBABK-QWRGUYRKSA-N 1 0 307.350 1.864 20 5 DDBDRO COc1ccc(C[NH2+][C@@H](C)[C@H](CO)SC)cc1[N+](=O)[O-] ZINC000152490130 536896502 /nfs/dbraw/zinc/89/65/02/536896502.db2.gz FMZUKHWXHQVROQ-ZANVPECISA-N 1 0 300.380 1.805 20 5 DDBDRO COc1cc(F)c([N+](=O)[O-])c(N2CCC[N@H+](CCO)CC2)c1 ZINC000747216172 700060579 /nfs/dbraw/zinc/06/05/79/700060579.db2.gz MYDKKNGUBGFPLP-UHFFFAOYSA-N 1 0 313.329 1.247 20 5 DDBDRO O=[N+]([O-])c1ccc(CS(=O)(=O)N[C@H]2CCCC[NH2+]C2)cc1 ZINC000070120739 696387310 /nfs/dbraw/zinc/38/73/10/696387310.db2.gz AJRJDYVCUIIJCK-LBPRGKRZSA-N 1 0 313.379 1.156 20 5 DDBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCC3(C2)OCCO3)cc1 ZINC000118957132 696675816 /nfs/dbraw/zinc/67/58/16/696675816.db2.gz NDEYZCKNMQZWSV-UHFFFAOYSA-N 1 0 308.334 1.813 20 5 DDBDRO C[C@H]([NH3+])[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CCO1 ZINC000156431106 696962784 /nfs/dbraw/zinc/96/27/84/696962784.db2.gz GMXGCFCCKREMFH-QPUJVOFHSA-N 1 0 313.741 1.436 20 5 DDBDRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)C1)C1CC1 ZINC000982970967 697197065 /nfs/dbraw/zinc/19/70/65/697197065.db2.gz ZLZUCBNPVVKFAH-MQMHXKEQSA-N 1 0 303.362 1.989 20 5 DDBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]CC1(O)CCOCC1 ZINC000162625558 697329642 /nfs/dbraw/zinc/32/96/42/697329642.db2.gz KMDPHJQPEXXQJC-UHFFFAOYSA-N 1 0 300.742 1.879 20 5 DDBDRO COC(=O)[C@@]1(C)CC[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000177212782 697410668 /nfs/dbraw/zinc/41/06/68/697410668.db2.gz JPSVRABOQQTTFA-HNNXBMFYSA-N 1 0 318.333 1.787 20 5 DDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@]2(CCO)CCOC2)cc1Cl ZINC000775203766 697971224 /nfs/dbraw/zinc/97/12/24/697971224.db2.gz HRGUFHUEVJXBCX-ZDUSSCGKSA-N 1 0 300.742 1.879 20 5 DDBDRO CNC(=O)[C@@H]1CCCCN1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776582146 698120955 /nfs/dbraw/zinc/12/09/55/698120955.db2.gz RKFKOZGLDACWKR-KBPBESRZSA-N 1 0 307.350 1.229 20 5 DDBDRO C[C@H]1CN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000778355891 698267917 /nfs/dbraw/zinc/26/79/17/698267917.db2.gz MICBHXBNMNHETL-NSHDSACASA-N 1 0 313.785 1.747 20 5 DDBDRO O=C(NCC1C[NH2+]C1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000262010039 698450269 /nfs/dbraw/zinc/45/02/69/698450269.db2.gz JHXOELOMZCTXJF-UHFFFAOYSA-N 1 0 318.358 1.668 20 5 DDBDRO C[C@@H](O)C[N@@H+]1CCN(c2nc3ccccn3c2[N+](=O)[O-])[C@@H](C)C1 ZINC000779708787 698455072 /nfs/dbraw/zinc/45/50/72/698455072.db2.gz XYWHYOGIKJSHCV-NWDGAFQWSA-N 1 0 319.365 1.134 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H](CO)C2CCOCC2)c1 ZINC000782528476 698734261 /nfs/dbraw/zinc/73/42/61/698734261.db2.gz OAVFIEKYTCJJKC-LSDHHAIUSA-N 1 0 310.350 1.005 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCC1CC[NH+](C)CC1 ZINC000750843887 700250376 /nfs/dbraw/zinc/25/03/76/700250376.db2.gz XRZRRMUKLLBQTA-UHFFFAOYSA-N 1 0 320.393 1.732 20 5 DDBDRO C[C@@H]1CN(C)C(=O)CN1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000782597682 698747023 /nfs/dbraw/zinc/74/70/23/698747023.db2.gz RPUDKNHPDQLHMZ-GFCCVEGCSA-N 1 0 307.350 1.526 20 5 DDBDRO COc1cc(C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)ccc1[N+](=O)[O-] ZINC000424031549 699147883 /nfs/dbraw/zinc/14/78/83/699147883.db2.gz SQCFKGHNEAGTGV-HNNXBMFYSA-N 1 0 305.334 1.572 20 5 DDBDRO C[C@@H]([NH2+]CCN1CCOC[C@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788590922 699325907 /nfs/dbraw/zinc/32/59/07/699325907.db2.gz WZLNIUQIRPNINZ-VXGBXAGGSA-N 1 0 308.382 1.548 20 5 DDBDRO Cc1cc(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)c(N)c([N+](=O)[O-])c1 ZINC000729285982 699475848 /nfs/dbraw/zinc/47/58/48/699475848.db2.gz VUCIOSRFKZBLCH-JTQLQIEISA-N 1 0 304.350 1.452 20 5 DDBDRO Cc1cc(C(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)c(N)c([N+](=O)[O-])c1 ZINC000729527396 699481598 /nfs/dbraw/zinc/48/15/98/699481598.db2.gz MGAFKUUHQFIUCR-GFCCVEGCSA-N 1 0 320.393 1.946 20 5 DDBDRO CN1CC[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000729681861 699484872 /nfs/dbraw/zinc/48/48/72/699484872.db2.gz LIZCFPPYOMBUBT-SNVBAGLBSA-N 1 0 301.293 1.990 20 5 DDBDRO COC(=O)c1cnc(NCC[N@@H+]2CCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000790773812 699596322 /nfs/dbraw/zinc/59/63/22/699596322.db2.gz ZAYJQKMHSCKZKK-JTQLQIEISA-N 1 0 308.338 1.673 20 5 DDBDRO Cc1nn(C[N@@H+]2CC[C@](C)(C(N)=O)C2)c2cc([N+](=O)[O-])ccc12 ZINC000794710631 699826808 /nfs/dbraw/zinc/82/68/08/699826808.db2.gz HPMPSGBWVFMPDA-HNNXBMFYSA-N 1 0 317.349 1.408 20 5 DDBDRO C[C@H]1CCC[N@@H+]1CCNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000744350066 699946349 /nfs/dbraw/zinc/94/63/49/699946349.db2.gz PYYQNEJXNNFMHK-LBPRGKRZSA-N 1 0 307.350 1.574 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)c1 ZINC000754210411 700489761 /nfs/dbraw/zinc/48/97/61/700489761.db2.gz MPBSRIOXIMCMOD-UHFFFAOYSA-N 1 0 318.293 1.153 20 5 DDBDRO Cc1cc(N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)nc(N)[nH+]1 ZINC000757993152 700679741 /nfs/dbraw/zinc/67/97/41/700679741.db2.gz CTZQBMNKTQWXSN-JTQLQIEISA-N 1 0 315.337 1.361 20 5 DDBDRO C[C@H]([NH2+][C@@H](CCO)C1CC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000763059631 700922994 /nfs/dbraw/zinc/92/29/94/700922994.db2.gz PVGFHZJELCRPLG-JQWIXIFHSA-N 1 0 307.350 1.672 20 5 DDBDRO O=C(CC[NH2+][C@H](CCO)C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000763069975 700923906 /nfs/dbraw/zinc/92/39/06/700923906.db2.gz UYEKNIHNWICTSH-GFCCVEGCSA-N 1 0 307.350 1.674 20 5 DDBDRO C[C@@H](NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000839719796 701796632 /nfs/dbraw/zinc/79/66/32/701796632.db2.gz AUPCEZWOSJWTOI-DTZQCDIJSA-N 1 0 317.389 1.678 20 5 DDBDRO Nc1ccc(C(=O)O[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000810850731 701862448 /nfs/dbraw/zinc/86/24/48/701862448.db2.gz NXBIWAGIPBWRCM-NWDGAFQWSA-N 1 0 305.334 1.961 20 5 DDBDRO COCCC1(NC(=O)Cc2ccccc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000868039461 701906165 /nfs/dbraw/zinc/90/61/65/701906165.db2.gz ZTSRTTIYNGRCME-UHFFFAOYSA-N 1 0 321.377 1.412 20 5 DDBDRO COCCC1(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000868040389 701906579 /nfs/dbraw/zinc/90/65/79/701906579.db2.gz KRSVWHIUJDEWOL-UHFFFAOYSA-N 1 0 321.377 1.792 20 5 DDBDRO C[C@@]1([NH3+])CCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000868072020 701925444 /nfs/dbraw/zinc/92/54/44/701925444.db2.gz KZZMDUPFGHMELM-MRXNPFEDSA-N 1 0 318.377 1.758 20 5 DDBDRO CC[N@@H+]1CC[C@H]2OCCN(Cn3nc(C)c([N+](=O)[O-])c3C)[C@H]2C1 ZINC000840084188 701958613 /nfs/dbraw/zinc/95/86/13/701958613.db2.gz QMDJHMFFUIMEJU-UONOGXRCSA-N 1 0 323.397 1.161 20 5 DDBDRO C[C@@](CO)([NH2+]C[C@H]1COC(C)(C)O1)c1cccc([N+](=O)[O-])c1 ZINC000879273325 706636527 /nfs/dbraw/zinc/63/65/27/706636527.db2.gz TZGMXRNUMWFPML-ZFWWWQNUSA-N 1 0 310.350 1.543 20 5 DDBDRO Cc1cccc(C(=O)N2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)c1[N+](=O)[O-] ZINC000812337497 702161739 /nfs/dbraw/zinc/16/17/39/702161739.db2.gz GGERNZFMGWUMSA-OLZOCXBDSA-N 1 0 303.362 1.927 20 5 DDBDRO O=[N+]([O-])c1ccc2nccc(N3C[C@H](CO)[C@H](CO)C3)c2c1 ZINC000866253300 706658170 /nfs/dbraw/zinc/65/81/70/706658170.db2.gz ATZQEERHMLKPEM-PHIMTYICSA-N 1 0 303.318 1.180 20 5 DDBDRO C[C@H]1[C@@H]([NH3+])CCN1S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000842480727 702726646 /nfs/dbraw/zinc/72/66/46/702726646.db2.gz AYMUZJJSMHMXGF-CBAPKCEASA-N 1 0 319.770 1.358 20 5 DDBDRO C[C@]1(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC[NH2+]C1 ZINC000843059196 702809923 /nfs/dbraw/zinc/80/99/23/702809923.db2.gz FUHVQWCSUCUDGH-INIZCTEOSA-N 1 0 304.394 1.716 20 5 DDBDRO CC(C)COC[C@@H](O)C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843070642 702812944 /nfs/dbraw/zinc/81/29/44/702812944.db2.gz WIUWZLVCLCRCHA-LSDHHAIUSA-N 1 0 312.366 1.251 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H](CO)[C@H]2CCCOC2)c1 ZINC000843116590 702822146 /nfs/dbraw/zinc/82/21/46/702822146.db2.gz QQRCWLNEORGCPR-NWANDNLSSA-N 1 0 310.350 1.005 20 5 DDBDRO O=[N+]([O-])c1ccc(CN2CCN([C@H]3CC[NH2+]C3)CC2)cc1Cl ZINC000843124594 702824801 /nfs/dbraw/zinc/82/48/01/702824801.db2.gz HPGSTMYKUZGYPS-ZDUSSCGKSA-N 1 0 324.812 1.728 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)NC[C@H]([NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000843452551 702885353 /nfs/dbraw/zinc/88/53/53/702885353.db2.gz CRQYVDZAVZXNHJ-JTQLQIEISA-N 1 0 308.294 1.279 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)NCC2([NH3+])CCC2)cc1[N+](=O)[O-] ZINC000843454710 702885552 /nfs/dbraw/zinc/88/55/52/702885552.db2.gz WUQXHGHSRYXMKP-UHFFFAOYSA-N 1 0 308.294 1.423 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)cc1[N+](=O)[O-] ZINC000843455382 702885616 /nfs/dbraw/zinc/88/56/16/702885616.db2.gz NOPPKFNIIJHILP-IUCAKERBSA-N 1 0 322.321 1.634 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000843483851 702890675 /nfs/dbraw/zinc/89/06/75/702890675.db2.gz FQQOMCBNNBNYHZ-KOLCDFICSA-N 1 0 322.321 1.669 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H](C)C[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000843507793 702896856 /nfs/dbraw/zinc/89/68/56/702896856.db2.gz MMWUAZFQNXBDMJ-SFYZADRCSA-N 1 0 310.310 1.667 20 5 DDBDRO C[NH+](C)C1(CS(=O)(=O)Oc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000866503941 706716003 /nfs/dbraw/zinc/71/60/03/706716003.db2.gz YHSLSIBHYUKLSY-UHFFFAOYSA-N 1 0 318.326 1.537 20 5 DDBDRO O=C1CC[C@H]([N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C(=O)N1 ZINC000831538569 706728061 /nfs/dbraw/zinc/72/80/61/706728061.db2.gz FEQNXDSZNFNWOX-JSGCOSHPSA-N 1 0 317.345 1.579 20 5 DDBDRO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000846743665 703326260 /nfs/dbraw/zinc/32/62/60/703326260.db2.gz RBLFBVZGNOPVPI-ZYHUDNBSSA-N 1 0 317.349 1.283 20 5 DDBDRO COc1cc(CCNC(=[NH2+])NC2CCC2)c([N+](=O)[O-])cc1OC ZINC000849110718 703617455 /nfs/dbraw/zinc/61/74/55/703617455.db2.gz LJSYTRCRAXPSQA-UHFFFAOYSA-N 1 0 322.365 1.821 20 5 DDBDRO CCO[C@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)C[NH+](C)C ZINC000831746500 706769376 /nfs/dbraw/zinc/76/93/76/706769376.db2.gz YBEMWMASEHZMQW-CQSZACIVSA-N 1 0 309.366 1.220 20 5 DDBDRO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@@H](O)c3ccccn3)CC2)n1 ZINC000851993138 703898991 /nfs/dbraw/zinc/89/89/91/703898991.db2.gz LUIFMEYWLXUSJD-CQSZACIVSA-N 1 0 317.349 1.557 20 5 DDBDRO CC1(C)OC[C@@H](CC[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)O1 ZINC000851994689 703899574 /nfs/dbraw/zinc/89/95/74/703899574.db2.gz VZPZLEKYEVAIGI-CYBMUJFWSA-N 1 0 324.381 1.970 20 5 DDBDRO O=C(NCC1C[NH2+]C1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000818566663 703927741 /nfs/dbraw/zinc/92/77/41/703927741.db2.gz LIWQOGQCMHPVIO-UHFFFAOYSA-N 1 0 318.377 1.534 20 5 DDBDRO O=C(NCC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000818947065 704032075 /nfs/dbraw/zinc/03/20/75/704032075.db2.gz BZWJLXCERHHTHK-ZDUSSCGKSA-N 1 0 319.317 1.241 20 5 DDBDRO CC(C)N1C[C@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000818996653 704047654 /nfs/dbraw/zinc/04/76/54/704047654.db2.gz VAOOKCPVDMJBRM-OCCSQVGLSA-N 1 0 307.350 1.227 20 5 DDBDRO CC[C@@H](C[NH+](C)C)OC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000870554166 704075386 /nfs/dbraw/zinc/07/53/86/704075386.db2.gz AUFNKKCSBIWJTI-ZDUSSCGKSA-N 1 0 320.349 1.828 20 5 DDBDRO Cc1cc(C[C@H](C)[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000819176518 704081754 /nfs/dbraw/zinc/08/17/54/704081754.db2.gz FCIVOQBBWVMQDM-ZUZCIYMTSA-N 1 0 304.350 1.881 20 5 DDBDRO Cc1cc(C[C@@H](C)[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000819177546 704082180 /nfs/dbraw/zinc/08/21/80/704082180.db2.gz OFNDMLVRVBEVSI-BMIGLBTASA-N 1 0 304.350 1.881 20 5 DDBDRO COC(=O)[C@@H]1CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000852651392 704092255 /nfs/dbraw/zinc/09/22/55/704092255.db2.gz BDZORCBHIRHVRE-GLQYFDAESA-N 1 0 322.361 1.759 20 5 DDBDRO C[C@@]1(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1(Cl)Cl ZINC000819346322 704110953 /nfs/dbraw/zinc/11/09/53/704110953.db2.gz FGJFBJDAPQAPJU-UWVGGRQHSA-N 1 0 323.180 1.326 20 5 DDBDRO O=C(CCC12CC(C1)C[NH2+]2)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000870864662 704149090 /nfs/dbraw/zinc/14/90/90/704149090.db2.gz STJKOZBKAIPDQP-UHFFFAOYSA-N 1 0 318.377 1.655 20 5 DDBDRO [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000870904820 704161947 /nfs/dbraw/zinc/16/19/47/704161947.db2.gz CEUMXEUUAMJVFD-IMSIIYSGSA-N 1 0 309.753 1.992 20 5 DDBDRO C[N@@H+]1CCN(C(=O)COc2ccccc2[N+](=O)[O-])CCC1(C)C ZINC000871149253 704230730 /nfs/dbraw/zinc/23/07/30/704230730.db2.gz CTEJAAMOQOLLCC-UHFFFAOYSA-N 1 0 321.377 1.916 20 5 DDBDRO C[NH+](C)CC1(C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)CC1 ZINC000821339871 704393430 /nfs/dbraw/zinc/39/34/30/704393430.db2.gz JWOGFKURLLYACM-UHFFFAOYSA-N 1 0 303.362 1.821 20 5 DDBDRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000855285678 704477386 /nfs/dbraw/zinc/47/73/86/704477386.db2.gz ICYWRCVLKSVKJF-VIFPVBQESA-N 1 0 324.356 1.919 20 5 DDBDRO CN(CC1C[NH+](C)C1)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000855640080 704494208 /nfs/dbraw/zinc/49/42/08/704494208.db2.gz SKMCUMYTXYGAJP-UHFFFAOYSA-N 1 0 308.294 1.137 20 5 DDBDRO [NH3+][C@]12CCC[C@@H]1CN(C(=O)COc1ccc([N+](=O)[O-])c(F)c1)C2 ZINC000857008294 704546891 /nfs/dbraw/zinc/54/68/91/704546891.db2.gz GNJYMWVOMNSFKA-BMIGLBTASA-N 1 0 323.324 1.453 20 5 DDBDRO C[C@@H]1CC[C@@H](NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C[NH2+]1 ZINC000858631454 704737453 /nfs/dbraw/zinc/73/74/53/704737453.db2.gz DJMSRZVCLGMAQN-RKDXNWHRSA-N 1 0 317.342 1.153 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N(C)C[C@@H](C)[NH3+])c1C ZINC000858641124 704738549 /nfs/dbraw/zinc/73/85/49/704738549.db2.gz ARZBYGQTQBZCEU-SECBINFHSA-N 1 0 301.368 1.179 20 5 DDBDRO Cc1cc(S(=O)(=O)N(C)C[C@@H](C)[NH3+])c(C)cc1[N+](=O)[O-] ZINC000858640425 704738585 /nfs/dbraw/zinc/73/85/85/704738585.db2.gz RAMFFQBQRGTIMS-SNVBAGLBSA-N 1 0 301.368 1.179 20 5 DDBDRO CC[NH+]1CCC(NC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000823970567 705347528 /nfs/dbraw/zinc/34/75/28/705347528.db2.gz FUEUUUIYJJVYSU-CQSZACIVSA-N 1 0 307.350 1.229 20 5 DDBDRO CON1CCC([N@H+](C)Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000835076680 707167665 /nfs/dbraw/zinc/16/76/65/707167665.db2.gz UIZSSGCYMCUVDB-UHFFFAOYSA-N 1 0 324.337 1.961 20 5 DDBDRO CO[C@H]1C[N@H+](C)[C@@](C)(COC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000861338952 705433220 /nfs/dbraw/zinc/43/32/20/705433220.db2.gz KMKMRHBCANVRCQ-UKRRQHHQSA-N 1 0 308.334 1.861 20 5 DDBDRO C[NH+](C)C1(CNC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CCCC1 ZINC000825179153 705616711 /nfs/dbraw/zinc/61/67/11/705616711.db2.gz OCGBTBKAHOLLJU-AWEZNQCLSA-N 1 0 321.377 1.619 20 5 DDBDRO CN(CC[N@H+](C)CCO)C(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000825526997 705687568 /nfs/dbraw/zinc/68/75/68/705687568.db2.gz KVCMCOYSMUXBHL-LSDHHAIUSA-N 1 0 321.377 1.081 20 5 DDBDRO C[NH+](C)[C@@H]1CCCN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000825630234 705705931 /nfs/dbraw/zinc/70/59/31/705705931.db2.gz BUBGZZFRRKDHPN-ZIAGYGMSSA-N 1 0 307.350 1.181 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876611658 705783262 /nfs/dbraw/zinc/78/32/62/705783262.db2.gz NOPDRPQJBIIRAM-ZANVPECISA-N 1 0 311.313 1.167 20 5 DDBDRO [NH3+]C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)CCO1 ZINC000876808231 705886231 /nfs/dbraw/zinc/88/62/31/705886231.db2.gz PIOGTNIFLDUILE-ZDUSSCGKSA-N 1 0 315.329 1.548 20 5 DDBDRO C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000876889904 705910240 /nfs/dbraw/zinc/91/02/40/705910240.db2.gz QVEVPQMCURWYPL-KBUVRSHFSA-N 1 0 303.362 1.931 20 5 DDBDRO C[C@H]1CCCCN1CC[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000876930607 705928779 /nfs/dbraw/zinc/92/87/79/705928779.db2.gz BSXFYODIMMBPHJ-HSBZDZAISA-N 1 0 307.398 1.959 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000827269756 705964805 /nfs/dbraw/zinc/96/48/05/705964805.db2.gz ZUSKEJGTJNQOAH-BXUZGUMPSA-N 1 0 319.361 1.770 20 5 DDBDRO CO[C@H]1C[NH2+][C@@](C)(C(=O)NCc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000877241093 706030088 /nfs/dbraw/zinc/03/00/88/706030088.db2.gz MXDUVJPXGVGRFE-IUODEOHRSA-N 1 0 307.350 1.286 20 5 DDBDRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C2 ZINC000877380216 706087781 /nfs/dbraw/zinc/08/77/81/706087781.db2.gz XQJDBWQECDMFPJ-POBIDRTASA-N 1 0 301.346 1.676 20 5 DDBDRO CCOC(CC[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)OCC ZINC000877467258 706115202 /nfs/dbraw/zinc/11/52/02/706115202.db2.gz XYOMZLNTZRNDOK-UHFFFAOYSA-N 1 0 312.370 1.874 20 5 DDBDRO COC[C@@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)C1CCOCC1 ZINC000877621799 706162035 /nfs/dbraw/zinc/16/20/35/706162035.db2.gz AGSWAQYPYSKZTG-SSDMNJCBSA-N 1 0 324.381 1.526 20 5 DDBDRO Cn1nnnc1C1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000877782178 706209365 /nfs/dbraw/zinc/20/93/65/706209365.db2.gz YWCZYPKVAZZHML-UHFFFAOYSA-N 1 0 302.338 1.498 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)[NH2+][C@@H]2CCC23CCC3)cc1 ZINC000877830877 706226601 /nfs/dbraw/zinc/22/66/01/706226601.db2.gz MUJHYAYKDAIFNO-RBSFLKMASA-N 1 0 306.362 1.911 20 5 DDBDRO C[C@@H](CN1C(=O)N[C@](C)(c2cccc([N+](=O)[O-])c2)C1=O)[NH+](C)C ZINC000877874332 706229758 /nfs/dbraw/zinc/22/97/58/706229758.db2.gz BAEMUSNWKDRYGU-ZUZCIYMTSA-N 1 0 320.349 1.312 20 5 DDBDRO C[NH+]1CCC(CNC(=O)Cc2cccc(F)c2[N+](=O)[O-])CC1 ZINC000865095672 706348373 /nfs/dbraw/zinc/34/83/73/706348373.db2.gz PXUUPGJEYGXVON-UHFFFAOYSA-N 1 0 309.341 1.734 20 5 DDBDRO COCCN(CC1CC[NH+](C)CC1)c1ccc(N)c([N+](=O)[O-])n1 ZINC000865996505 706588489 /nfs/dbraw/zinc/58/84/89/706588489.db2.gz OJXLRLBYCAMHHI-UHFFFAOYSA-N 1 0 323.397 1.367 20 5 DDBDRO Cc1cccc(OS(=O)(=O)CC2([NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000867011962 706872065 /nfs/dbraw/zinc/87/20/65/706872065.db2.gz YDYAAZRHSBTWCT-UHFFFAOYSA-N 1 0 314.363 1.706 20 5 DDBDRO CO[C@@H]1COCC[C@H]1[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000880424637 706969654 /nfs/dbraw/zinc/96/96/54/706969654.db2.gz JQTHRXHCUKVXBF-HUUCEWRRSA-N 1 0 310.350 1.709 20 5 DDBDRO CO[C@@H]1COCC[C@H]1[N@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000880434019 706975154 /nfs/dbraw/zinc/97/51/54/706975154.db2.gz VOMMNTDVPXIFIM-RBSFLKMASA-N 1 0 310.350 1.364 20 5 DDBDRO O=[N+]([O-])c1cccc(OCC[NH+]2CCC3(CC2)COCCO3)c1 ZINC000880540818 707010269 /nfs/dbraw/zinc/01/02/69/707010269.db2.gz CVQAQFOXMBQINC-UHFFFAOYSA-N 1 0 322.361 1.855 20 5 DDBDRO O=C(N[C@H]1C[NH2+]CCC1(F)F)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000834841055 707135276 /nfs/dbraw/zinc/13/52/76/707135276.db2.gz JQZZLUIWUUZWPP-JTQLQIEISA-N 1 0 319.695 1.975 20 5 DDBDRO CC(C)(O)C[C@@H](O)C[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000872206252 707327403 /nfs/dbraw/zinc/32/74/03/707327403.db2.gz WAKWQECHHGKBSH-GFCCVEGCSA-N 1 0 316.785 1.902 20 5 DDBDRO Cn1nnc2c1C[C@H]([NH2+][C@H]1CCc3c1cccc3[N+](=O)[O-])CC2 ZINC000927140093 712946571 /nfs/dbraw/zinc/94/65/71/712946571.db2.gz CHBLYBQIPJUPQJ-MFKMUULPSA-N 1 0 313.361 1.858 20 5 DDBDRO COc1ccc(C[NH2+][C@H]2CCCC23OCCO3)cc1[N+](=O)[O-] ZINC000883178958 707948867 /nfs/dbraw/zinc/94/88/67/707948867.db2.gz JMDOFZWYYJVCEX-AWEZNQCLSA-N 1 0 308.334 1.989 20 5 DDBDRO CC[C@H](CN1CCOCC1)[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000896615991 708096884 /nfs/dbraw/zinc/09/68/84/708096884.db2.gz DUYNODQNFDGOKV-IYXRBSQSSA-N 1 0 323.397 1.195 20 5 DDBDRO Nc1ccc([N+](=O)[O-])c(N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)c1 ZINC000897221124 708259523 /nfs/dbraw/zinc/25/95/23/708259523.db2.gz HMEGXJYBBURCKT-OLZOCXBDSA-N 1 0 306.366 1.212 20 5 DDBDRO CN(CC(C)(C)C[NH+](C)C)c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000897420991 708322262 /nfs/dbraw/zinc/32/22/62/708322262.db2.gz NOYGEOAABHANCG-UHFFFAOYSA-N 1 0 308.382 1.718 20 5 DDBDRO O=[N+]([O-])c1cnc(NCC[N@H+]2CC[C@@H](O)C2)c2ccccc21 ZINC000884566644 708330809 /nfs/dbraw/zinc/33/08/09/708330809.db2.gz PSBJDDQYGULHIL-LLVKDONJSA-N 1 0 302.334 1.622 20 5 DDBDRO Cn1nnnc1CCC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000898036641 708524610 /nfs/dbraw/zinc/52/46/10/708524610.db2.gz HGLJPXJEYUOMOG-GFCCVEGCSA-N 1 0 302.338 1.328 20 5 DDBDRO COC(=O)COc1ccc(C[NH2+]C/C=C\Cl)cc1[N+](=O)[O-] ZINC000898434726 708639176 /nfs/dbraw/zinc/63/91/76/708639176.db2.gz XMVGUGONFGTXMK-DJWKRKHSSA-N 1 0 314.725 1.989 20 5 DDBDRO O=[N+]([O-])c1ncccc1C[NH2+][C@H]([C@H]1CCCO1)C1(CO)CCC1 ZINC000886273753 708734174 /nfs/dbraw/zinc/73/41/74/708734174.db2.gz GBTMUOKAVPXDSJ-ZIAGYGMSSA-N 1 0 321.377 1.790 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000886574152 708779316 /nfs/dbraw/zinc/77/93/16/708779316.db2.gz QIRRRIFZUGCELZ-XPCVCDNBSA-N 1 0 322.361 1.037 20 5 DDBDRO O=C(CC[N@@H+]1C[C@@H]2[C@H](O)CC[C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000886577143 708780110 /nfs/dbraw/zinc/78/01/10/708780110.db2.gz XVGBWYJJIGANLG-BYCMXARLSA-N 1 0 319.361 1.626 20 5 DDBDRO Cc1nn(C)c(C(=O)N[C@@H]2C[C@H]([NH+](C)C)C23CCC3)c1[N+](=O)[O-] ZINC000898840295 708885837 /nfs/dbraw/zinc/88/58/37/708885837.db2.gz IFGNOQHRGZCUFJ-MNOVXSKESA-N 1 0 321.381 1.239 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+]CC1(C2(O)CCC2)CCC1 ZINC000886979355 708911919 /nfs/dbraw/zinc/91/19/19/708911919.db2.gz IZNULZJVPZNMEC-UHFFFAOYSA-N 1 0 321.377 1.431 20 5 DDBDRO C[NH+]1CCC(NCc2cn(-c3ccc([N+](=O)[O-])cc3)nn2)CC1 ZINC000899683454 709147129 /nfs/dbraw/zinc/14/71/29/709147129.db2.gz HSTHNSYLUZFWBN-UHFFFAOYSA-N 1 0 316.365 1.359 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N1CCC([NH+]2CCC2)CC1 ZINC000912883816 713114067 /nfs/dbraw/zinc/11/40/67/713114067.db2.gz VSNLJHWTGFHKAI-UHFFFAOYSA-N 1 0 319.361 1.670 20 5 DDBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000891447813 710204609 /nfs/dbraw/zinc/20/46/09/710204609.db2.gz XWMSZOBMVAXQEC-UKRRQHHQSA-N 1 0 304.350 1.679 20 5 DDBDRO COc1cc([N+](=O)[O-])cnc1N1CCN(c2cc[nH+]cc2)CC1 ZINC000891593641 710243776 /nfs/dbraw/zinc/24/37/76/710243776.db2.gz TVGDVUUOKFPZFZ-UHFFFAOYSA-N 1 0 315.333 1.720 20 5 DDBDRO C[NH2+]C[C@H]1CCCCN1C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000891723363 710275989 /nfs/dbraw/zinc/27/59/89/710275989.db2.gz RIAVOTPZIZAQCV-OAHLLOKOSA-N 1 0 320.393 1.921 20 5 DDBDRO COc1cc([N+](=O)[O-])cnc1N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000892319960 710416283 /nfs/dbraw/zinc/41/62/83/710416283.db2.gz REYONNNCJQWKFP-QWHCGFSZSA-N 1 0 322.365 1.034 20 5 DDBDRO C[C@@]1(NC(=O)c2cc([N+](=O)[O-])ccc2F)C[NH+]2CCC1CC2 ZINC000892788585 710498754 /nfs/dbraw/zinc/49/87/54/710498754.db2.gz JJUQZUNFASVBCJ-OAHLLOKOSA-N 1 0 307.325 1.948 20 5 DDBDRO Cc1cc(OCC(=O)N[C@H]2CC[N@H+](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000928438154 713196012 /nfs/dbraw/zinc/19/60/12/713196012.db2.gz SQQVRENQUJVQMG-YPMHNXCESA-N 1 0 307.350 1.491 20 5 DDBDRO C[C@H]1CN(CCCOC(=O)c2ccccc2[N+](=O)[O-])CCO1 ZINC000893392358 710633713 /nfs/dbraw/zinc/63/37/13/710633713.db2.gz QUHPPNAJERUCQH-LBPRGKRZSA-N 1 0 308.334 1.862 20 5 DDBDRO C[C@@H](C(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1)[NH+](C)C ZINC000913386686 713206833 /nfs/dbraw/zinc/20/68/33/713206833.db2.gz YPXJFJMXWOPSGS-ZETCQYMHSA-N 1 0 303.721 1.954 20 5 DDBDRO O=C(CCc1cc(F)ccc1[N+](=O)[O-])NCC1CC[NH2+]CC1 ZINC000911672798 710920571 /nfs/dbraw/zinc/92/05/71/710920571.db2.gz NSDLRXRXVWNDGG-UHFFFAOYSA-N 1 0 309.341 1.782 20 5 DDBDRO COc1cc([C@@H](C)[NH2+]CCN2CCO[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000903090392 711028886 /nfs/dbraw/zinc/02/88/86/711028886.db2.gz ABFQZIFQZAACOO-CHWSQXEVSA-N 1 0 323.393 1.975 20 5 DDBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@H]2CCO[C@]23CCOC3)cc1 ZINC000903120975 711038691 /nfs/dbraw/zinc/03/86/91/711038691.db2.gz RAOIXCSKKZSRBX-GJZGRUSLSA-N 1 0 308.334 1.511 20 5 DDBDRO COc1cc([C@H](C)[NH2+]C[C@@H](C)S(C)(=O)=O)cc([N+](=O)[O-])c1 ZINC000903127986 711041586 /nfs/dbraw/zinc/04/15/86/711041586.db2.gz PIPNDPCQDOUSNM-ZJUUUORDSA-N 1 0 316.379 1.687 20 5 DDBDRO COc1cc([C@H](C)[NH2+]C[C@H](CO)[C@@H]2CCOC2)cc([N+](=O)[O-])c1 ZINC000903168219 711053599 /nfs/dbraw/zinc/05/35/99/711053599.db2.gz UWNIJWNYIBYSSL-OUCADQQQSA-N 1 0 324.377 1.899 20 5 DDBDRO C[N@@H+]1CC[C@@H]1CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000928559604 713226467 /nfs/dbraw/zinc/22/64/67/713226467.db2.gz ZYDDPLYNRUCVLR-GFCCVEGCSA-N 1 0 302.334 1.439 20 5 DDBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H]1CCN1C ZINC000903321977 711095836 /nfs/dbraw/zinc/09/58/36/711095836.db2.gz FEMHYJLDJDQLNK-SMDDNHRTSA-N 1 0 306.366 1.606 20 5 DDBDRO C[C@@H]([NH2+]CCCc1nnnn1C)c1c(F)cccc1[N+](=O)[O-] ZINC000903350936 711100585 /nfs/dbraw/zinc/10/05/85/711100585.db2.gz GALXTTDVUHOFPG-SECBINFHSA-N 1 0 308.317 1.541 20 5 DDBDRO CN(CC[N@H+](C)CCO)c1c2cc(F)ccc2ncc1[N+](=O)[O-] ZINC000894591146 711199032 /nfs/dbraw/zinc/19/90/32/711199032.db2.gz KFDAMNSBHBZBET-UHFFFAOYSA-N 1 0 322.340 1.642 20 5 DDBDRO [NH3+]C[C@]12CC[C@@H]1CCCN2C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000903806315 711286289 /nfs/dbraw/zinc/28/62/89/711286289.db2.gz VLGIKPOWCMOQIS-CWRNSKLLSA-N 1 0 305.378 1.832 20 5 DDBDRO O=[N+]([O-])c1ccc(CN2CC[NH2+]CCC23CCOCC3)cc1 ZINC000903814619 711289188 /nfs/dbraw/zinc/28/91/88/711289188.db2.gz NXHGUMIVUIUQAP-UHFFFAOYSA-N 1 0 305.378 1.939 20 5 DDBDRO CN1CCN(c2cccc(C(F)(F)F)c2[N+](=O)[O-])C[C@H]1CO ZINC000894881217 711306688 /nfs/dbraw/zinc/30/66/88/711306688.db2.gz LMBMWOMIJGWTAN-VIFPVBQESA-N 1 0 319.283 1.726 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccccc1 ZINC000894958197 711338915 /nfs/dbraw/zinc/33/89/15/711338915.db2.gz NMSJXUBIURPQKD-KBPBESRZSA-N 1 0 313.361 1.791 20 5 DDBDRO Cc1nc(N2CC[NH+](CCCCCO)CC2)ccc1[N+](=O)[O-] ZINC000894963879 711341961 /nfs/dbraw/zinc/34/19/61/711341961.db2.gz DPMSLDWDESOOEC-UHFFFAOYSA-N 1 0 308.382 1.583 20 5 DDBDRO C[NH+](C)C[C@@]1(O)CCN(c2ccc([N+](=O)[O-])c3cnccc32)C1 ZINC000895009671 711365637 /nfs/dbraw/zinc/36/56/37/711365637.db2.gz YYPJJXOOEKCJPQ-INIZCTEOSA-N 1 0 316.361 1.646 20 5 DDBDRO COC(=O)[C@@]1(O)CC[N@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000895701616 711581689 /nfs/dbraw/zinc/58/16/89/711581689.db2.gz AYAUYZQTIRRUQW-OAHLLOKOSA-N 1 0 308.334 1.321 20 5 DDBDRO CCOC(=O)c1ccnc(N[C@H]2CC[N@H+](C)[C@H]2C)c1[N+](=O)[O-] ZINC000895739040 711591772 /nfs/dbraw/zinc/59/17/72/711591772.db2.gz AMOJNYWTCWUWIP-ONGXEEELSA-N 1 0 308.338 1.671 20 5 DDBDRO CCO[C@H](CNc1ccc([N+](=O)[O-])c(N)c1F)C[NH+](C)C ZINC000896117055 711678428 /nfs/dbraw/zinc/67/84/28/711678428.db2.gz KFZQGQZJKHEEPA-SECBINFHSA-N 1 0 300.334 1.695 20 5 DDBDRO CCc1nn(C)c(NC[C@H]2CC[N@@H+]2C2CCOCC2)c1[N+](=O)[O-] ZINC000896521583 711737623 /nfs/dbraw/zinc/73/76/23/711737623.db2.gz JZBBSBZQMRCDST-GFCCVEGCSA-N 1 0 323.397 1.556 20 5 DDBDRO C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1C[NH2+]CC[N+](=O)[O-] ZINC000905119847 711942208 /nfs/dbraw/zinc/94/22/08/711942208.db2.gz PCKJSVMTIDBJKK-QWRGUYRKSA-N 1 0 317.386 1.613 20 5 DDBDRO O=[N+]([O-])CC[NH2+][C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000905236860 711976579 /nfs/dbraw/zinc/97/65/79/711976579.db2.gz GCVIAJHQWMPQHF-LLVKDONJSA-N 1 0 314.183 1.894 20 5 DDBDRO CCO[C@H](CNC[C@H](O)c1ccc([N+](=O)[O-])cc1)C[NH+](C)C ZINC000905581900 712085845 /nfs/dbraw/zinc/08/58/45/712085845.db2.gz ZPCMKYYWNGWQMR-CABCVRRESA-N 1 0 311.382 1.185 20 5 DDBDRO C[C@H](C[NH2+]C[C@H](C)S(C)(=O)=O)c1ccccc1[N+](=O)[O-] ZINC000905645450 712105380 /nfs/dbraw/zinc/10/53/80/712105380.db2.gz YLTNVURCMPBYSS-MNOVXSKESA-N 1 0 300.380 1.721 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]3C[N@@H+](C)C[C@H]32)c1C ZINC000908347225 712748141 /nfs/dbraw/zinc/74/81/41/712748141.db2.gz KRPHHXCWHVBQRK-GXTWGEPZSA-N 1 0 303.362 1.988 20 5 DDBDRO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000929411492 713604897 /nfs/dbraw/zinc/60/48/97/713604897.db2.gz JXVFFXMCIUJKHD-HNNXBMFYSA-N 1 0 320.393 1.996 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N(C)C1CC[NH+](C(C)C)CC1 ZINC000929726198 713676839 /nfs/dbraw/zinc/67/68/39/713676839.db2.gz SHNQJASITCFQBU-UHFFFAOYSA-N 1 0 323.397 1.431 20 5 DDBDRO CN1CC[C@H]1C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000922575758 714092372 /nfs/dbraw/zinc/09/23/72/714092372.db2.gz MVPWKXHOERSNPX-NSHDSACASA-N 1 0 301.293 1.990 20 5 DDBDRO C[N@@H+]1C[C@H]2CCN(C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000931609184 714137576 /nfs/dbraw/zinc/13/75/76/714137576.db2.gz DDQFAIYHSHJTTG-NOZJJQNGSA-N 1 0 308.313 1.902 20 5 DDBDRO COC1(OC)CC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C[C@@H]1O ZINC000931641420 714147688 /nfs/dbraw/zinc/14/76/88/714147688.db2.gz FALIPGCRDOTEOH-FZMZJTMJSA-N 1 0 310.350 1.712 20 5 DDBDRO COC1(OC)CCOC[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000931670766 714157171 /nfs/dbraw/zinc/15/71/71/714157171.db2.gz PRTXPYHZDYDKIV-CQSZACIVSA-N 1 0 310.350 1.505 20 5 DDBDRO C[NH2+][C@@H]1CCCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000923284215 714297221 /nfs/dbraw/zinc/29/72/21/714297221.db2.gz JKSPBXIGMOBMQG-OCCSQVGLSA-N 1 0 309.366 1.018 20 5 DDBDRO C[NH2+]C[C@H]1CCCN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000923295234 714300597 /nfs/dbraw/zinc/30/05/97/714300597.db2.gz UBNVRLMHSJMXEB-CHWSQXEVSA-N 1 0 309.366 1.018 20 5 DDBDRO C[C@@H]1[C@H](C)[NH2+]CCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000923345907 714322160 /nfs/dbraw/zinc/32/21/60/714322160.db2.gz OXICMBNBQWDMNJ-OUCADQQQSA-N 1 0 309.366 1.017 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)CN[C@@H]2CC[NH2+]C23CCC3)c1 ZINC000923397098 714341049 /nfs/dbraw/zinc/34/10/49/714341049.db2.gz ADOXCCQIDKJXNK-DZGCQCFKSA-N 1 0 321.377 1.209 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000923417245 714349176 /nfs/dbraw/zinc/34/91/76/714349176.db2.gz WBHNKSWLOYIEBP-HZSPNIEDSA-N 1 0 321.377 1.161 20 5 DDBDRO CCN(C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CC[NH2+]C1 ZINC000923426610 714352250 /nfs/dbraw/zinc/35/22/50/714352250.db2.gz UDVIGJDITSEODB-KGLIPLIRSA-N 1 0 309.366 1.018 20 5 DDBDRO C[C@@H]1C[NH2+][C@@H](C)[C@@H](C)N1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000923446689 714358528 /nfs/dbraw/zinc/35/85/28/714358528.db2.gz YPFLZLKZKLSWJU-FRRDWIJNSA-N 1 0 320.393 1.994 20 5 DDBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Cn2c(C)ncc2[N+](=O)[O-])C[C@H]1C ZINC000933372683 714574925 /nfs/dbraw/zinc/57/49/25/714574925.db2.gz UPNUBXYBWPCHSM-DGCLKSJQSA-N 1 0 323.397 1.431 20 5 DDBDRO O=[N+]([O-])c1ccc(F)cc1CN1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000934260298 714778283 /nfs/dbraw/zinc/77/82/83/714778283.db2.gz WDBIAULKMYMJLT-HZPDHXFCSA-N 1 0 323.368 1.765 20 5 DDBDRO O=[N+]([O-])c1cc(F)ccc1CN1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000934272227 714783270 /nfs/dbraw/zinc/78/32/70/714783270.db2.gz IISXQMYKXHFQDK-LSDHHAIUSA-N 1 0 323.368 1.765 20 5 DDBDRO O=[N+]([O-])c1ncccc1CN1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000934275914 714784485 /nfs/dbraw/zinc/78/44/85/714784485.db2.gz RXEXAESRAXJRFJ-UONOGXRCSA-N 1 0 306.366 1.021 20 5 DDBDRO O=[N+]([O-])c1cccc2nc(N3CCN4CC[NH2+]C[C@@H]4C3)ccc21 ZINC001164398335 718833428 /nfs/dbraw/zinc/83/34/28/718833428.db2.gz DKLFMYNKESYTPR-GFCCVEGCSA-N 1 0 313.361 1.237 20 5 DDBDRO CC(C)=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC[C@@H]2C1 ZINC000946589127 718843940 /nfs/dbraw/zinc/84/39/40/718843940.db2.gz HPXUCZFQKSESRN-QKPAOTATSA-N 1 0 321.421 1.788 20 5 DDBDRO [NH3+][C@@]12C[C@@H]1CN(C(F)(F)c1cc([N+](=O)[O-])cnc1Cl)C2 ZINC001164417967 718886832 /nfs/dbraw/zinc/88/68/32/718886832.db2.gz MAARLAAVZOAZOG-LHLIQPBNSA-N 1 0 304.684 1.726 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N1CC[NH+](CC(C)C)CC1 ZINC001164653852 719330142 /nfs/dbraw/zinc/33/01/42/719330142.db2.gz WPWWWZCTFGGCLF-UHFFFAOYSA-N 1 0 322.365 1.554 20 5 DDBDRO COCc1cc([N+](=O)[O-])ccc1N[C@H](C)[C@H]1C[N@H+](C)CCN1C ZINC001120873811 782201363 /nfs/dbraw/zinc/20/13/63/782201363.db2.gz GYEXGHRHKQUKQF-MLGOLLRUSA-N 1 0 322.409 1.787 20 5 DDBDRO CCOC(=O)CC[N@H+](CCn1c(C)ncc1[N+](=O)[O-])CC1CC1 ZINC001167261671 732875657 /nfs/dbraw/zinc/87/56/57/732875657.db2.gz GDPKBVZBGNFENF-UHFFFAOYSA-N 1 0 324.381 1.765 20 5 DDBDRO Cc1cccnc1C(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001125424719 733291144 /nfs/dbraw/zinc/29/11/44/733291144.db2.gz PWGGFWBAQLTTBD-UHFFFAOYSA-N 1 0 314.345 1.818 20 5 DDBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)c1ccon1 ZINC001021870308 733631169 /nfs/dbraw/zinc/63/11/69/733631169.db2.gz WBSWBRKVSQPRQX-TXEJJXNPSA-N 1 0 316.317 1.633 20 5 DDBDRO Cc1cc(C)cc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c1 ZINC001022063706 734368361 /nfs/dbraw/zinc/36/83/61/734368361.db2.gz IHEABKHUGWXSCV-QKPAOTATSA-N 1 0 317.389 1.705 20 5 DDBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891586688 734415927 /nfs/dbraw/zinc/41/59/27/734415927.db2.gz LQAKBBJABPRBGO-ZFWWWQNUSA-N 1 0 318.377 1.673 20 5 DDBDRO COc1nc(SC)nc(NC(=N)SCC[NH3+])c1[N+](=O)[O-] ZINC001167909720 739301739 /nfs/dbraw/zinc/30/17/39/739301739.db2.gz LMKFTDKNYNBKFQ-UHFFFAOYSA-N 1 0 318.384 1.154 20 5 DDBDRO CC[N@H+](C)CCC(=O)N(C)CCN(C)c1ccc([N+](=O)[O-])cc1 ZINC001105460015 741849341 /nfs/dbraw/zinc/84/93/41/741849341.db2.gz PLYVDDDLSNQTGP-UHFFFAOYSA-N 1 0 322.409 1.831 20 5 DDBDRO [NH3+]Cc1cnn(-c2cnc(Oc3ccc([N+](=O)[O-])cc3)nc2)c1 ZINC001168262806 741863331 /nfs/dbraw/zinc/86/33/31/741863331.db2.gz XJMREWDXYVRXDT-UHFFFAOYSA-N 1 0 312.289 1.822 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(N(C)CCN(C)C(=O)CC[NH+](C)C)n1 ZINC001105554107 742112933 /nfs/dbraw/zinc/11/29/33/742112933.db2.gz OTVKKDNLQFPOJQ-UHFFFAOYSA-N 1 0 323.397 1.145 20 5 DDBDRO O=C(NCC[NH2+]CC/C=C\c1ccccc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126936869 742853878 /nfs/dbraw/zinc/85/38/78/742853878.db2.gz VGZSLUAHJPXVKA-JFCGUDLGSA-N 1 0 303.362 1.461 20 5 DDBDRO Cc1cnc(NC2(CNC(=O)CC[NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC001110325297 743767680 /nfs/dbraw/zinc/76/76/80/743767680.db2.gz FZDKSWLHMBTWOK-UHFFFAOYSA-N 1 0 321.381 1.311 20 5 DDBDRO CC1(C)CC(C[NH2+]C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)C1 ZINC000996430111 749588828 /nfs/dbraw/zinc/58/88/28/749588828.db2.gz ZYSNXHONDGUSBN-ZIAGYGMSSA-N 1 0 309.410 1.668 20 5 DDBDRO CCC[N@H+](C)CC(=O)NC/C=C/CNc1ncccc1[N+](=O)[O-] ZINC001107280111 749725911 /nfs/dbraw/zinc/72/59/11/749725911.db2.gz ICJXQZHILLYJHU-SNAWJCMRSA-N 1 0 321.381 1.416 20 5 DDBDRO Cc1ccnc(NC/C=C/CNC(=O)CC[NH+](C)C)c1[N+](=O)[O-] ZINC001107490040 750045328 /nfs/dbraw/zinc/04/53/28/750045328.db2.gz QJUYKDKCNDGHEO-SNAWJCMRSA-N 1 0 321.381 1.334 20 5 DDBDRO C[NH+](C)CCC(=O)NC/C=C/CNc1ccc([N+](=O)[O-])cc1 ZINC001107490084 750045827 /nfs/dbraw/zinc/04/58/27/750045827.db2.gz RHBGUPWMQJCQCM-ONEGZZNKSA-N 1 0 306.366 1.631 20 5 DDBDRO COC(=O)[C@H](O)[C@@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccccc1 ZINC001168967942 762158426 /nfs/dbraw/zinc/15/84/26/762158426.db2.gz UXQFWNCEXNIVTF-UQOMUDLDSA-N 1 0 322.361 1.297 20 5 DDBDRO CC(C)(C)OC(=O)[C@H](N)C1C[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169004393 762173721 /nfs/dbraw/zinc/17/37/21/762173721.db2.gz QVSSBOHAVPBVRD-RAIGVLPGSA-N 1 0 313.398 1.033 20 5 DDBDRO COC(=O)Cc1cccc(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001169003100 762173984 /nfs/dbraw/zinc/17/39/84/762173984.db2.gz NFPHNDCMBXWTMD-LSDHHAIUSA-N 1 0 306.362 1.937 20 5 DDBDRO O=C(C1CCCC1)N1CC[C@@H]([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168990707 762182133 /nfs/dbraw/zinc/18/21/33/762182133.db2.gz DMEYQZRXBQEQJN-BPLDGKMQSA-N 1 0 309.410 1.813 20 5 DDBDRO O=C(c1cccnc1)N1CC[C@@H]([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168990635 762182416 /nfs/dbraw/zinc/18/24/16/762182416.db2.gz CWJMAFLTZGNNPT-AEGPPILISA-N 1 0 318.377 1.331 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])c(-n2c(C)cnc2C[NH3+])cc1OC ZINC001169029245 762185786 /nfs/dbraw/zinc/18/57/86/762185786.db2.gz OJQHWDVKJQZGEI-UHFFFAOYSA-N 1 0 320.305 1.343 20 5 DDBDRO CCNC(=O)CO[C@@H]1CCC[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169039939 762193563 /nfs/dbraw/zinc/19/35/63/762193563.db2.gz WAXJDACLXJLFCZ-HZSPNIEDSA-N 1 0 313.398 1.049 20 5 DDBDRO CCN1CCC2(CC[NH+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)C1=O ZINC001169046354 762204666 /nfs/dbraw/zinc/20/46/66/762204666.db2.gz KYGBJOQIKMRWJD-KBPBESRZSA-N 1 0 309.410 1.766 20 5 DDBDRO CCNC(=O)COC1CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169051324 762207005 /nfs/dbraw/zinc/20/70/05/762207005.db2.gz DFKDOKMZXHCYRR-STQMWFEESA-N 1 0 313.398 1.049 20 5 DDBDRO Cc1nccnc1O[C@@H]1CC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169051992 762207107 /nfs/dbraw/zinc/20/71/07/762207107.db2.gz DYYQVNSAPAUZHP-MGPQQGTHSA-N 1 0 306.366 1.684 20 5 DDBDRO O=[N+]([O-])c1c(Cl)nc(Cl)nc1N1CCC[C@@H]2[NH2+]C[C@@H]21 ZINC001165390938 756949195 /nfs/dbraw/zinc/94/91/95/756949195.db2.gz MHQWTZLGTYGRPK-WDSKDSINSA-N 1 0 304.137 1.632 20 5 DDBDRO Cc1nc(N[C@H]2C[C@@H](NC(=O)CC[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC001097252308 757035274 /nfs/dbraw/zinc/03/52/74/757035274.db2.gz VOJLYCGABUMYEU-TXEJJXNPSA-N 1 0 321.381 1.309 20 5 DDBDRO COc1cc(N2CCCc3ccc(C[NH3+])nc32)cnc1[N+](=O)[O-] ZINC001169590873 762525094 /nfs/dbraw/zinc/52/50/94/762525094.db2.gz PJJICJXESUAALA-UHFFFAOYSA-N 1 0 315.333 1.936 20 5 DDBDRO COc1ncc([N+](=O)[O-])cc1-n1cc(CC[NH3+])c2ncccc21 ZINC001169707961 762614837 /nfs/dbraw/zinc/61/48/37/762614837.db2.gz DBLJBZAESDHRFA-UHFFFAOYSA-N 1 0 313.317 1.839 20 5 DDBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N[C@@H](C)CN2CC[NH2+]CC2)n1 ZINC001154748903 759263553 /nfs/dbraw/zinc/26/35/53/759263553.db2.gz VDNCMCJDGIUMRC-JTQLQIEISA-N 1 0 313.789 1.657 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(NC[C@H]2CN(C)CCO2)nc1Cl ZINC001155196909 760823693 /nfs/dbraw/zinc/82/36/93/760823693.db2.gz PQNMXRUFAMFVHH-VIFPVBQESA-N 1 0 300.746 1.694 20 5 DDBDRO O=C(NCC1CC[NH+](CCC(F)(F)F)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001001399027 762825491 /nfs/dbraw/zinc/82/54/91/762825491.db2.gz HQJXIRDXZZOLNK-GHMZBOCLSA-N 1 0 323.315 1.432 20 5 DDBDRO C[C@@H](Nc1ncnc2sc([N+](=O)[O-])cc21)[C@H]1C[NH2+]CCO1 ZINC001170570928 768192406 /nfs/dbraw/zinc/19/24/06/768192406.db2.gz OLUSDMDTPCGNAC-VXNVDRBHSA-N 1 0 309.351 1.388 20 5 DDBDRO COc1ccc(C[C@@H](C)[NH2+]CC(=O)N2CCCC2)c([N+](=O)[O-])c1 ZINC001170297926 766227587 /nfs/dbraw/zinc/22/75/87/766227587.db2.gz VXNBQYAVUSWYLZ-GFCCVEGCSA-N 1 0 321.377 1.746 20 5 DDBDRO COc1ccc(C[C@@H](C)[NH2+]CCC2OCCO2)c([N+](=O)[O-])c1 ZINC001170305669 766231123 /nfs/dbraw/zinc/23/11/23/766231123.db2.gz PDKDXUWMOPVZDL-LLVKDONJSA-N 1 0 310.350 1.887 20 5 DDBDRO COc1ccc(C[C@H](C)[NH2+][C@H]2C[C@H](NC(C)=O)C2)c([N+](=O)[O-])c1 ZINC001170313017 766245663 /nfs/dbraw/zinc/24/56/63/766245663.db2.gz IPTQIHJIAUZHLL-BPNCWPANSA-N 1 0 321.377 1.791 20 5 DDBDRO COc1ccc(C[C@H](C)[NH2+][C@H](CO)[C@H]2CCOC2)c([N+](=O)[O-])c1 ZINC001170318622 766249569 /nfs/dbraw/zinc/24/95/69/766249569.db2.gz QHPMOCXNFZDOGP-CORIIIEPSA-N 1 0 324.377 1.521 20 5 DDBDRO COc1ccc(C[C@@H](C)[NH2+][C@@H]2CCOC[C@H]2OC)c([N+](=O)[O-])c1 ZINC001170309346 766259409 /nfs/dbraw/zinc/25/94/09/766259409.db2.gz QGFWVPLISBWFSR-DJSGYFEHSA-N 1 0 324.377 1.928 20 5 DDBDRO COc1ccc(C[C@H](C)n2ccnc2C(N)=[NH2+])c([N+](=O)[O-])c1 ZINC001170309653 766259730 /nfs/dbraw/zinc/25/97/30/766259730.db2.gz QYOCFWUMKMVVIL-VIFPVBQESA-N 1 0 303.322 1.888 20 5 DDBDRO CC(F)(F)CC(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001133446613 769828485 /nfs/dbraw/zinc/82/84/85/769828485.db2.gz IMIRUXDZQFOCMK-UHFFFAOYSA-N 1 0 301.293 1.846 20 5 DDBDRO CC(C)Oc1nc(N2CC3(C2)CCC[NH2+]C3)ccc1[N+](=O)[O-] ZINC001159025389 770480914 /nfs/dbraw/zinc/48/09/14/770480914.db2.gz RGWGRIKQRHDROL-UHFFFAOYSA-N 1 0 306.366 1.967 20 5 DDBDRO O=[N+]([O-])c1cc(N[C@@H]2C[NH2+]C[C@@H]2CO)ccc1C(F)(F)F ZINC001170776116 771199802 /nfs/dbraw/zinc/19/98/02/771199802.db2.gz ADBLOTCUYIJPQM-GMSGAONNSA-N 1 0 305.256 1.606 20 5 DDBDRO [NH3+]Cc1nccnc1Nc1ncnc2cc(F)c([N+](=O)[O-])cc21 ZINC001171444462 775847854 /nfs/dbraw/zinc/84/78/54/775847854.db2.gz MDCJLRYBMSIYAW-UHFFFAOYSA-N 1 0 315.268 1.669 20 5 DDBDRO CCC[N@H+](C)CC(=O)NCCN(CC)c1ccc([N+](=O)[O-])cc1 ZINC001100576526 776320151 /nfs/dbraw/zinc/32/01/51/776320151.db2.gz HGHNZSRWMTYUFW-UHFFFAOYSA-N 1 0 322.409 1.879 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@H]2CCN(C)C2)c1F ZINC001173177223 777034492 /nfs/dbraw/zinc/03/44/92/777034492.db2.gz RTMOIQRAZUDSER-MNOVXSKESA-N 1 0 311.357 1.967 20 5 DDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1CN(c2cnccn2)C1 ZINC001173215959 777048096 /nfs/dbraw/zinc/04/80/96/777048096.db2.gz BDQLUXUVYXBYJB-LBPRGKRZSA-N 1 0 313.361 1.794 20 5 DDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCN1C(=O)C=CC1=O ZINC001173219073 777050804 /nfs/dbraw/zinc/05/08/04/777050804.db2.gz WPPXNBKXODKCIP-LLVKDONJSA-N 1 0 303.318 1.040 20 5 DDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@]1(C)CCS(=O)(=O)C1 ZINC001173219859 777051447 /nfs/dbraw/zinc/05/14/47/777051447.db2.gz PVSIAGPCPUCHRN-SMDDNHRTSA-N 1 0 312.391 1.693 20 5 DDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cncc(C(N)=O)c1 ZINC001173229143 777062709 /nfs/dbraw/zinc/06/27/09/777062709.db2.gz LQSJDCGERLYUNM-LLVKDONJSA-N 1 0 314.345 1.810 20 5 DDBDRO COc1ccc(C[NH2+]CC(=O)NC2CCCC2)cc1[N+](=O)[O-] ZINC001177707592 778709550 /nfs/dbraw/zinc/70/95/50/778709550.db2.gz NNUIULJYINQOQP-UHFFFAOYSA-N 1 0 307.350 1.752 20 5 DDBDRO CC(C)(C[NH2+]Cc1ccccc1[N+](=O)[O-])CS(C)(=O)=O ZINC000693053636 779502640 /nfs/dbraw/zinc/50/26/40/779502640.db2.gz XLLDGAPRKJDKCI-UHFFFAOYSA-N 1 0 300.380 1.755 20 5 DDBDRO CC[NH+](CC)C1CCN(C(=O)c2[nH]nc(C)c2[N+](=O)[O-])CC1 ZINC001116016335 780467417 /nfs/dbraw/zinc/46/74/17/780467417.db2.gz WPQDCOZYJMGJRC-UHFFFAOYSA-N 1 0 309.370 1.573 20 5 DDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC001118265421 781079213 /nfs/dbraw/zinc/07/92/13/781079213.db2.gz ZBHNDJJMLJPFQL-OAHLLOKOSA-N 1 0 306.366 1.756 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)CN(C[C@H]1CCC3(C[NH2+]C3)O1)CC2 ZINC001118568458 781161496 /nfs/dbraw/zinc/16/14/96/781161496.db2.gz AUZKHDOSMSVKAN-OAHLLOKOSA-N 1 0 303.362 1.474 20 5 DDBDRO CN(CC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)c1cccnc1 ZINC001267341289 837862332 /nfs/dbraw/zinc/86/23/32/837862332.db2.gz QQGNBUDSGPNHTA-UHFFFAOYSA-N 1 0 320.374 1.913 20 5 DDBDRO CCC[N@H+](CCOC)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001269639689 841885405 /nfs/dbraw/zinc/88/54/05/841885405.db2.gz JZSRBDRVQRSSBF-ZIAGYGMSSA-N 1 0 313.398 1.001 20 5 DDBDRO CN(C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CCC[N@H+](C)C1 ZINC001326489240 861403416 /nfs/dbraw/zinc/40/34/16/861403416.db2.gz PLPNIQUVRHFISD-KBPBESRZSA-N 1 0 307.350 1.181 20 5 DDBDRO C[NH+](C)[C@@H]1C[C@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC001299818108 845765878 /nfs/dbraw/zinc/76/58/78/845765878.db2.gz IUYAJRDECWFFKQ-UONOGXRCSA-N 1 0 321.377 1.819 20 5 DDBDRO CCOc1nc(N2CCOC[C@@H]2C[NH+](C)C)ccc1[N+](=O)[O-] ZINC001154978301 861616713 /nfs/dbraw/zinc/61/67/13/861616713.db2.gz RKHOHDGYNDSOCV-NSHDSACASA-N 1 0 310.354 1.155 20 5 DDBDRO COC(=O)[C@H]([NH3+])C1CCN(c2nccc(C)c2[N+](=O)[O-])CC1 ZINC001155151407 861776455 /nfs/dbraw/zinc/77/64/55/861776455.db2.gz DBAOLAUKHADYFJ-LLVKDONJSA-N 1 0 308.338 1.015 20 5 DDBDRO [NH3+][C@H]1COC[C@H]1Nc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC001155354821 861989671 /nfs/dbraw/zinc/98/96/71/861989671.db2.gz SUKIIINIZFJELC-NWDGAFQWSA-N 1 0 300.318 1.795 20 5 DDBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N[C@H]2COCCC23C[NH2+]C3)n1 ZINC001155460891 862111675 /nfs/dbraw/zinc/11/16/75/862111675.db2.gz DDYQUGZMQUTHKM-JTQLQIEISA-N 1 0 312.757 1.742 20 5 DDBDRO O=[N+]([O-])c1c(Cl)cc(Cl)nc1NC[C@@]12C[NH2+][C@@H](CO1)C2 ZINC001155541869 862209412 /nfs/dbraw/zinc/20/94/12/862209412.db2.gz UAJRFDHJDALVKT-KSBSHMNSSA-N 1 0 319.148 1.839 20 5 DDBDRO CC(C)OC[C@H]([NH3+])C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001327546012 862259646 /nfs/dbraw/zinc/25/96/46/862259646.db2.gz IZGOQZMNEAGJMP-AWEZNQCLSA-N 1 0 307.350 1.232 20 5 DDBDRO COc1cnc(NC[C@H]2CO[C@]3(C2)CCC[NH2+]C3)c([N+](=O)[O-])c1 ZINC001155596389 862274977 /nfs/dbraw/zinc/27/49/77/862274977.db2.gz IOJNWGMLYPMEES-NHYWBVRUSA-N 1 0 322.365 1.569 20 5 DDBDRO O=[N+]([O-])c1cc(Cl)nc(N[C@H]2CCO[C@]3(CC[NH2+]C3)C2)c1 ZINC001155619543 862298537 /nfs/dbraw/zinc/29/85/37/862298537.db2.gz PXHKCSNDQIJPTI-TVQRCGJNSA-N 1 0 312.757 1.966 20 5 DDBDRO Cc1ncc(C(=O)NCCC[NH2+]Cc2ccccc2[N+](=O)[O-])[nH]1 ZINC001155753138 862430302 /nfs/dbraw/zinc/43/03/02/862430302.db2.gz OFRIMHFXFLYUNR-UHFFFAOYSA-N 1 0 317.349 1.536 20 5 DDBDRO O=C(NCC[NH2+]CCO)c1ccnc2c1ccc1cccnc12 ZINC001155816416 862472845 /nfs/dbraw/zinc/47/28/45/862472845.db2.gz YVHXNYYYZIIUKO-UHFFFAOYSA-N 1 0 310.357 1.095 20 5 DDBDRO COC(=O)c1ccnc(N2C[C@H]3C[C@@]3(C[NH+](C)C)C2)c1[N+](=O)[O-] ZINC001156385248 862996218 /nfs/dbraw/zinc/99/62/18/862996218.db2.gz JFGDYEYEBFBHQY-MEBBXXQBSA-N 1 0 320.349 1.164 20 5 DDBDRO [NH3+]C[C@H]1CC[C@H](NC(=O)CCc2cc(F)ccc2[N+](=O)[O-])C1 ZINC001121945364 858641920 /nfs/dbraw/zinc/64/19/20/858641920.db2.gz WSRLGFZLLZYIOX-GWCFXTLKSA-N 1 0 309.341 1.910 20 5 DDBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001122302732 858743988 /nfs/dbraw/zinc/74/39/88/858743988.db2.gz ZJRYJHOTNRULJC-QWHCGFSZSA-N 1 0 319.361 1.432 20 5 DDBDRO Cc1c(CC(=O)N2CC[C@@H]3CC[C@]32C[NH3+])cccc1[N+](=O)[O-] ZINC001122321581 858751293 /nfs/dbraw/zinc/75/12/93/858751293.db2.gz WJXJNRLFGYJKOT-BBRMVZONSA-N 1 0 303.362 1.786 20 5 DDBDRO [NH3+]C[C@]12CC[C@H]1CCN2C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC001122320050 858751667 /nfs/dbraw/zinc/75/16/67/858751667.db2.gz MVYCSVAGUJOEPL-XHDPSFHLSA-N 1 0 305.334 1.313 20 5 DDBDRO C[C@H](CNC(=O)COC1CC[NH2+]CC1)c1ccccc1[N+](=O)[O-] ZINC001122353141 858774481 /nfs/dbraw/zinc/77/44/81/858774481.db2.gz HSQOMXKMLXZSAE-GFCCVEGCSA-N 1 0 321.377 1.583 20 5 DDBDRO CC[NH+]1CCN(c2nnc(CCC[N+](=O)[O-])n2CC2CC2)CC1 ZINC001123514909 859277325 /nfs/dbraw/zinc/27/73/25/859277325.db2.gz GZCNOIFEILPLQE-UHFFFAOYSA-N 1 0 322.413 1.039 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[C@@](O)(C[NH+](C)C)C1 ZINC001123953668 859493928 /nfs/dbraw/zinc/49/39/28/859493928.db2.gz MYYPUGMSIQTCQK-MRXNPFEDSA-N 1 0 321.377 1.350 20 5 DDBDRO CNc1ccc(C(=O)N[C@@H]2CC[C@H]3C[N@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC001124109343 859583702 /nfs/dbraw/zinc/58/37/02/859583702.db2.gz MLWUUPLRAARESF-YNEHKIRRSA-N 1 0 318.377 1.707 20 5 DDBDRO CCOC(=O)CCCCCOC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001224682736 881496234 /nfs/dbraw/zinc/49/62/34/881496234.db2.gz GXKOBDGDPMGKSC-CYBMUJFWSA-N 1 0 304.407 1.110 20 5 DDBDRO CC(C)c1noc(CC[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC001325871023 860904050 /nfs/dbraw/zinc/90/40/50/860904050.db2.gz LLXBHKCYTTVWRL-ZDUSSCGKSA-N 1 0 320.349 1.967 20 5 DDBDRO CS(=O)(=O)N(c1cccc(C[NH3+])c1)c1cccc([N+](=O)[O-])n1 ZINC001156485799 863094715 /nfs/dbraw/zinc/09/47/15/863094715.db2.gz DYCJLIZGTBFYPB-UHFFFAOYSA-N 1 0 322.346 1.546 20 5 DDBDRO Cn1ccc(C(=O)NCCC[NH2+]Cc2csc([N+](=O)[O-])c2)c1 ZINC001156552753 863140493 /nfs/dbraw/zinc/14/04/93/863140493.db2.gz PMYJGRZKUPZUGW-UHFFFAOYSA-N 1 0 322.390 1.905 20 5 DDBDRO C[NH+](C)CCONC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC001329291768 863581251 /nfs/dbraw/zinc/58/12/51/863581251.db2.gz NILYLFFBVIAJQS-UHFFFAOYSA-N 1 0 309.322 1.167 20 5 DDBDRO CCOC(=O)CN(CCC[NH3+])c1ncc(Cl)cc1[N+](=O)[O-] ZINC001157545139 863905388 /nfs/dbraw/zinc/90/53/88/863905388.db2.gz XNISHSRTHKUKFQ-UHFFFAOYSA-N 1 0 316.745 1.362 20 5 DDBDRO COc1nc(N2C[C@@H](CC[NH3+])c3ccccc32)ncc1[N+](=O)[O-] ZINC001157739275 864090679 /nfs/dbraw/zinc/09/06/79/864090679.db2.gz IKYIYDVHHYIPMR-SNVBAGLBSA-N 1 0 315.333 1.978 20 5 DDBDRO Cc1ncn(-c2ncc([N+](=O)[O-])cc2N)c1CSCC[NH3+] ZINC001157966056 864315540 /nfs/dbraw/zinc/31/55/40/864315540.db2.gz KFYSEZOXJJIUHF-UHFFFAOYSA-N 1 0 308.367 1.258 20 5 DDBDRO Cc1nc(CC[NH3+])nn1-c1nc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001158128478 864445618 /nfs/dbraw/zinc/44/56/18/864445618.db2.gz IGUYCRZUSPVWTP-UHFFFAOYSA-N 1 0 317.136 1.687 20 5 DDBDRO COCC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001330552745 864446737 /nfs/dbraw/zinc/44/67/37/864446737.db2.gz YGDXEZBGKMQAMT-JOCQHMNTSA-N 1 0 307.350 1.226 20 5 DDBDRO Cc1c(C)c(N2CCC(N3CC[C@@H]([NH3+])C3)CC2)ncc1[N+](=O)[O-] ZINC001158262337 864526865 /nfs/dbraw/zinc/52/68/65/864526865.db2.gz RQLXMBJDKWZMAX-CYBMUJFWSA-N 1 0 319.409 1.608 20 5 DDBDRO COc1nc(C)c([N+](=O)[O-])c(N2CC[N@H+](C(C)C)[C@@H](C)C2)n1 ZINC001158495049 864688399 /nfs/dbraw/zinc/68/83/99/864688399.db2.gz VLYNTGDRRGBMHN-JTQLQIEISA-N 1 0 309.370 1.621 20 5 DDBDRO C[NH+]1CCC2(CCN2C(=O)c2ccc([N+](=O)[O-])cc2N)CC1 ZINC001159350489 865251353 /nfs/dbraw/zinc/25/13/53/865251353.db2.gz QHPHZLMARFLHPA-UHFFFAOYSA-N 1 0 304.350 1.487 20 5 DDBDRO Cc1ccc2cccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)c2n1 ZINC001225477503 881859876 /nfs/dbraw/zinc/85/98/76/881859876.db2.gz LAMALWKWKMMQBM-CQSZACIVSA-N 1 0 303.382 1.906 20 5 DDBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N[C@H](C)[C@H]2C[NH2+]CCO2)n1 ZINC001159496600 865345856 /nfs/dbraw/zinc/34/58/56/865345856.db2.gz KMARNQSBCSORJP-PSASIEDQSA-N 1 0 300.746 1.740 20 5 DDBDRO C[C@H](Nc1nc2ccccc2cc1[N+](=O)[O-])[C@@H]1C[NH2+]CCO1 ZINC001159499872 865358976 /nfs/dbraw/zinc/35/89/76/865358976.db2.gz QGTGUXDLZPHOTC-HZMBPMFUSA-N 1 0 302.334 1.932 20 5 DDBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1c2ccccc2OC[C@H]1C[NH3+] ZINC001160199015 865724960 /nfs/dbraw/zinc/72/49/60/865724960.db2.gz IYSPKILCYGJETE-LLVKDONJSA-N 1 0 316.317 1.394 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cc(F)ccc1[N+](=O)[O-] ZINC001225574927 881917036 /nfs/dbraw/zinc/91/70/36/881917036.db2.gz IVORYSPHWZKDIN-SNVBAGLBSA-N 1 0 301.294 1.097 20 5 DDBDRO COc1ncnc(-n2c(C[NH3+])cc3ccncc32)c1[N+](=O)[O-] ZINC001160959466 866220599 /nfs/dbraw/zinc/22/05/99/866220599.db2.gz CAIRCBZKDBGNEH-UHFFFAOYSA-N 1 0 300.278 1.191 20 5 DDBDRO O=[N+]([O-])c1cnn(CCc2nc([C@@H]3C[NH+]4CCC3CC4)no2)c1 ZINC001320210997 866560522 /nfs/dbraw/zinc/56/05/22/866560522.db2.gz YSZUJMBFGCBHOK-GFCCVEGCSA-N 1 0 318.337 1.226 20 5 DDBDRO N=c1ncc(C[NH3+])cn1-c1ccc(-c2ccccc2[N+](=O)[O-])nn1 ZINC001161418443 866650641 /nfs/dbraw/zinc/65/06/41/866650641.db2.gz ZUONYUFNAUZGCV-UHFFFAOYSA-N 1 0 323.316 1.176 20 5 DDBDRO C[NH+]1CCN(CCCNc2cc(F)cc(F)c2[N+](=O)[O-])CC1 ZINC001161708181 866920412 /nfs/dbraw/zinc/92/04/12/866920412.db2.gz AOVKAINIAOIBKX-UHFFFAOYSA-N 1 0 314.336 1.922 20 5 DDBDRO C[NH+]1CCN(CCCNc2ccc3nc[nH]c3c2[N+](=O)[O-])CC1 ZINC001161709996 866923660 /nfs/dbraw/zinc/92/36/60/866923660.db2.gz MGADFZKEHPTZML-UHFFFAOYSA-N 1 0 318.381 1.521 20 5 DDBDRO COc1c(O)ccc(CN2CCC[C@@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC001333676824 866928314 /nfs/dbraw/zinc/92/83/14/866928314.db2.gz BQXSBTBQAYVCNB-GFCCVEGCSA-N 1 0 309.366 1.835 20 5 DDBDRO [NH3+]Cc1nc2cnccc2n1-c1c(Cl)[n+]([O-])ccc1[N+](=O)[O-] ZINC001162215583 867349148 /nfs/dbraw/zinc/34/91/48/867349148.db2.gz IRVCCYIATIRRHA-UHFFFAOYSA-N 1 0 320.696 1.074 20 5 DDBDRO COC(=O)c1cnc(N[C@]2(C)CCC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC001162341844 867477428 /nfs/dbraw/zinc/47/74/28/867477428.db2.gz PGFAJDHGCMHYOP-CQSZACIVSA-N 1 0 308.338 1.673 20 5 DDBDRO COc1nc(NC[C@@H]2CCC[NH2+]C[C@@H]2C)nc(C)c1[N+](=O)[O-] ZINC001162452162 867543886 /nfs/dbraw/zinc/54/38/86/867543886.db2.gz BQXRIDDGTVGELG-ONGXEEELSA-N 1 0 309.370 1.749 20 5 DDBDRO COC(=O)[C@@H](Nc1cc(OC)c(C)c([N+](=O)[O-])c1)C(C)(C)[NH3+] ZINC001162949363 867938693 /nfs/dbraw/zinc/93/86/93/867938693.db2.gz GUIOPZFGFZUMQL-GFCCVEGCSA-N 1 0 311.338 1.603 20 5 DDBDRO O=[N+]([O-])c1cc(N[C@H]2COCCC23C[NH2+]C3)cn2ccnc12 ZINC001163074448 868058231 /nfs/dbraw/zinc/05/82/31/868058231.db2.gz WRBSURANVVPORE-LBPRGKRZSA-N 1 0 303.322 1.033 20 5 DDBDRO O=[N+]([O-])c1c(F)cccc1N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC001335116695 868077060 /nfs/dbraw/zinc/07/70/60/868077060.db2.gz JMWMXWUYEKKRKK-QWHCGFSZSA-N 1 0 309.341 1.769 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]CC1(CCNC(=O)C2CC2)CC1 ZINC001163092679 868081052 /nfs/dbraw/zinc/08/10/52/868081052.db2.gz QIZRYQSGZJEDLB-UHFFFAOYSA-N 1 0 321.381 1.114 20 5 DDBDRO C[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[NH+](C)CC1 ZINC001322404829 868154802 /nfs/dbraw/zinc/15/48/02/868154802.db2.gz RQKHKOIICWHEBY-GFCCVEGCSA-N 1 0 321.381 1.352 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@]23C[NH2+]C[C@H]2COC3)c1 ZINC001163158558 868171293 /nfs/dbraw/zinc/17/12/93/868171293.db2.gz NUJPERYAFCINTC-NHYWBVRUSA-N 1 0 321.333 1.029 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@@H]2CN3CCC2CC3)c1 ZINC001335353032 868244439 /nfs/dbraw/zinc/24/44/39/868244439.db2.gz PMMLRLNAXMDBGN-GOEBONIOSA-N 1 0 321.377 1.018 20 5 DDBDRO O=C1C[C@@H]2[NH2+]CC[C@@]2(Nc2ccc3ncccc3c2[N+](=O)[O-])N1 ZINC001163253721 868263119 /nfs/dbraw/zinc/26/31/19/868263119.db2.gz MVTDWGOEKWMZAC-SWLSCSKDSA-N 1 0 313.317 1.133 20 5 DDBDRO COc1cc([N+](=O)[O-])cnc1N[C@H]1CCO[C@@]2(CC[NH2+]C2)C1 ZINC001163302963 868324212 /nfs/dbraw/zinc/32/42/12/868324212.db2.gz AHHPAIMDHVFLEA-HZMBPMFUSA-N 1 0 308.338 1.321 20 5 DDBDRO COc1ccc(N[C@H]2CCO[C@]3(CC[NH2+]C3)C2)nc1[N+](=O)[O-] ZINC001163305026 868329383 /nfs/dbraw/zinc/32/93/83/868329383.db2.gz KTKKJZPDAJBUNJ-IINYFYTJSA-N 1 0 308.338 1.321 20 5 DDBDRO Cc1nnc(C[NH3+])n1C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1 ZINC001163346989 868381308 /nfs/dbraw/zinc/38/13/08/868381308.db2.gz XFQYWVKFFRBAKH-UHFFFAOYSA-N 1 0 318.671 1.599 20 5 DDBDRO C[C@@H](CNC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccccc1[N+](=O)[O-] ZINC001335686941 868478812 /nfs/dbraw/zinc/47/88/12/868478812.db2.gz LXHDFNUNOUPXQQ-PQFRYHKHSA-N 1 0 304.350 1.215 20 5 DDBDRO CN(C)/C=C/c1cc(N(C)CCC[NH+](C)C)ncc1[N+](=O)[O-] ZINC001163598509 868558168 /nfs/dbraw/zinc/55/81/68/868558168.db2.gz XCOKSJWINHRLEC-JXMROGBWSA-N 1 0 307.398 1.910 20 5 DDBDRO CC[N@@H+]1CCCN(c2cc([N+](=O)[O-])cc(Cl)[n+]2[O-])CC1 ZINC001163774676 868695010 /nfs/dbraw/zinc/69/50/10/868695010.db2.gz OYGVGZWWZVNVRT-UHFFFAOYSA-N 1 0 300.746 1.414 20 5 DDBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@H](C)CC[C@H]1C[NH3+] ZINC001164074318 868927244 /nfs/dbraw/zinc/92/72/44/868927244.db2.gz RZQFLTJDSNWFJC-MNOVXSKESA-N 1 0 322.365 1.730 20 5 DDBDRO O=[N+]([O-])c1cnc(N2CCC([NH2+]C3CCOCC3)CC2)s1 ZINC001336712473 869105553 /nfs/dbraw/zinc/10/55/53/869105553.db2.gz KMGULHFYZIQOBM-UHFFFAOYSA-N 1 0 312.395 1.789 20 5 DDBDRO COc1c(O)ccc(CNC[C@@H](C)[N@H+](C)C2CC2)c1[N+](=O)[O-] ZINC001336716146 869107084 /nfs/dbraw/zinc/10/70/84/869107084.db2.gz DCLYOTDEKPCLSM-SNVBAGLBSA-N 1 0 309.366 1.881 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CCN2CC=CCC2)c1 ZINC001336771874 869133541 /nfs/dbraw/zinc/13/35/41/869133541.db2.gz ZMXYYBILLYNMCD-OAHLLOKOSA-N 1 0 321.377 1.186 20 5 DDBDRO O=C1NCCC12CC[NH+](CCOc1ccccc1[N+](=O)[O-])CC2 ZINC001336842402 869177421 /nfs/dbraw/zinc/17/74/21/869177421.db2.gz LXACTUPCDVDQCV-UHFFFAOYSA-N 1 0 319.361 1.576 20 5 DDBDRO O=[N+]([O-])c1ccc(-c2ccc(-n3ncc4c3CC[NH2+]C4)nn2)cc1 ZINC001165220367 869443316 /nfs/dbraw/zinc/44/33/16/869443316.db2.gz MTSHQTLWAHMXIQ-UHFFFAOYSA-N 1 0 322.328 1.883 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(NC[C@@]2(CO)COC[C@@H]3CCC[N@@H+]32)c1 ZINC001338298309 869909689 /nfs/dbraw/zinc/90/96/89/869909689.db2.gz RXLRVYCVLBUEST-XJKSGUPXSA-N 1 0 321.377 1.541 20 5 DDBDRO CC[N@@H+]1CC[C@H](Oc2c(OC)cc(C(=O)OC)cc2[N+](=O)[O-])C1 ZINC001226360225 882383982 /nfs/dbraw/zinc/38/39/82/882383982.db2.gz CGIZYUQCPBZPOL-NSHDSACASA-N 1 0 324.333 1.863 20 5 DDBDRO CCn1c([C@@H](C)[N+](=O)[O-])nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001339342096 870451924 /nfs/dbraw/zinc/45/19/24/870451924.db2.gz WQXHEVRKXLRZBZ-GFCCVEGCSA-N 1 0 322.413 1.700 20 5 DDBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2NCCC[NH+](C)C ZINC001339500665 870528213 /nfs/dbraw/zinc/52/82/13/870528213.db2.gz LSYYWDAFVSEXGT-UHFFFAOYSA-N 1 0 304.350 1.937 20 5 DDBDRO COc1ccc(CNC(=O)[C@H]2[NH2+]CC23CCCC3)cc1[N+](=O)[O-] ZINC001339892790 870766019 /nfs/dbraw/zinc/76/60/19/870766019.db2.gz JLEJTEVIGDLUML-CQSZACIVSA-N 1 0 319.361 1.752 20 5 DDBDRO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CC([NH2+][C@H]2CCOC2)C1 ZINC001304085058 871184963 /nfs/dbraw/zinc/18/49/63/871184963.db2.gz QDYVJPLJUQBQOQ-JTQLQIEISA-N 1 0 323.324 1.245 20 5 DDBDRO CSc1ccc(C(=O)N[C@H]2COC3(C[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC001340616512 871238195 /nfs/dbraw/zinc/23/81/95/871238195.db2.gz SUZJWUTYMWCOKV-SNVBAGLBSA-N 1 0 323.374 1.177 20 5 DDBDRO Cn1cc([N+](=O)[O-])c(NCC2([NH+](C)C)Cc3ccccc3C2)n1 ZINC001306977232 871385507 /nfs/dbraw/zinc/38/55/07/871385507.db2.gz BSSPFADLSDDEFC-UHFFFAOYSA-N 1 0 315.377 1.839 20 5 DDBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001341421734 871655171 /nfs/dbraw/zinc/65/51/71/871655171.db2.gz FGGSBWVMJYVDTE-DMDPSCGWSA-N 1 0 304.350 1.406 20 5 DDBDRO C[NH+](C)[C@H]1CCCC[C@@H]1Nc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC001341771643 871815556 /nfs/dbraw/zinc/81/55/56/871815556.db2.gz ZKZIPKTVGBGQFX-KBPBESRZSA-N 1 0 308.382 1.954 20 5 DDBDRO [NH3+][C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)C[C@H]1C(F)(F)F ZINC001342556664 872262384 /nfs/dbraw/zinc/26/23/84/872262384.db2.gz YSAQOPJLLGHQMS-NXEZZACHSA-N 1 0 303.240 1.556 20 5 DDBDRO CO[C@@H]1C[NH2+][C@](C)(C(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC001342594119 872286508 /nfs/dbraw/zinc/28/65/08/872286508.db2.gz ZDWLOAWFPFKNLC-DGFSRKRXSA-N 1 0 307.350 1.539 20 5 DDBDRO CN(C(=O)Cc1ccc([N+](=O)[O-])cc1)C1(C[NH3+])CCOCC1 ZINC001342968937 872453230 /nfs/dbraw/zinc/45/32/30/872453230.db2.gz WFYSHXYCLKFASQ-UHFFFAOYSA-N 1 0 307.350 1.104 20 5 DDBDRO [NH3+]CC[C@@H](NC(=O)CCc1cc(F)ccc1[N+](=O)[O-])C(F)F ZINC001343506685 872651066 /nfs/dbraw/zinc/65/10/66/872651066.db2.gz SKQFRCFROGCNRI-SNVBAGLBSA-N 1 0 319.283 1.765 20 5 DDBDRO [NH3+]C[C@@H]1CN(C(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CCCO1 ZINC001343673101 872710792 /nfs/dbraw/zinc/71/07/92/872710792.db2.gz NUHKGECLDYVFSY-ILXRZTDVSA-N 1 0 319.361 1.275 20 5 DDBDRO [NH3+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CCCO1 ZINC001343673106 872712037 /nfs/dbraw/zinc/71/20/37/872712037.db2.gz NUHKGECLDYVFSY-QLFBSQMISA-N 1 0 319.361 1.275 20 5 DDBDRO C[C@@H](NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)C(C)(C)C[NH+](C)C ZINC001344111690 872858654 /nfs/dbraw/zinc/85/86/54/872858654.db2.gz NTRWKWBIYMFHTR-BXUZGUMPSA-N 1 0 323.393 1.721 20 5 DDBDRO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC001345513295 873427494 /nfs/dbraw/zinc/42/74/94/873427494.db2.gz MPMUKUHPJMJHMU-MBNYWOFBSA-N 1 0 316.361 1.792 20 5 DDBDRO O=C([C@H]1C[NH2+]CCC1(F)F)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001345597742 873449953 /nfs/dbraw/zinc/44/99/53/873449953.db2.gz UPLYSNXYBSKFQU-GFCCVEGCSA-N 1 0 311.288 1.682 20 5 DDBDRO CN(CC1CC[NH2+]CC1)C(=O)COc1cccc([N+](=O)[O-])c1 ZINC001346334408 873704611 /nfs/dbraw/zinc/70/46/11/873704611.db2.gz LRIZMKBMYTVXMK-UHFFFAOYSA-N 1 0 307.350 1.432 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1noc2cc(Cl)ccc21 ZINC001227190851 882902673 /nfs/dbraw/zinc/90/26/73/882902673.db2.gz XVFHQIFEJQLJTI-SNVBAGLBSA-N 1 0 313.761 1.844 20 5 DDBDRO Cc1cc(C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)cc([N+](=O)[O-])c1 ZINC001349917235 875452807 /nfs/dbraw/zinc/45/28/07/875452807.db2.gz RQRYUNWQRJTEDS-NSHDSACASA-N 1 0 313.304 1.878 20 5 DDBDRO C[N@@H+]1CC[C@@H](Oc2ccc3c(c2)oc2cc(=O)ccc-2[n+]3[O-])C1 ZINC001227448633 883025615 /nfs/dbraw/zinc/02/56/15/883025615.db2.gz HODLYXMZJYBFKL-CYBMUJFWSA-N 1 0 312.325 1.614 20 5 DDBDRO C[NH+](C)C[C@@H](CO)Nc1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001353204119 877184225 /nfs/dbraw/zinc/18/42/25/877184225.db2.gz SVUKNKFZLYXQKR-VIFPVBQESA-N 1 0 307.272 1.948 20 5 DDBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH2+]CCC12CCOCC2 ZINC001353225334 877200667 /nfs/dbraw/zinc/20/06/67/877200667.db2.gz KIIIRBGZEDHWLR-UHFFFAOYSA-N 1 0 319.361 1.580 20 5 DDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC2(CC1)C[NH2+]CCO2 ZINC001355156964 878451317 /nfs/dbraw/zinc/45/13/17/878451317.db2.gz GAXRNSRMWDKZSH-UHFFFAOYSA-N 1 0 319.361 1.118 20 5 DDBDRO COCC[N@H+](C)CCNc1c2cc(F)ccc2ncc1[N+](=O)[O-] ZINC001355232402 878472773 /nfs/dbraw/zinc/47/27/73/878472773.db2.gz JIOWJPONJAPOBL-UHFFFAOYSA-N 1 0 322.340 1.694 20 5 DDBDRO C[N@@H+]1CCC[C@H](C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC001356584220 879114323 /nfs/dbraw/zinc/11/43/23/879114323.db2.gz NDXCLLYAJIYGRM-KGLIPLIRSA-N 1 0 323.393 1.266 20 5 DDBDRO COC(=O)c1cc(COC(=O)C[C@@H](O)C[N+](C)(C)C)cs1 ZINC001223458416 880971985 /nfs/dbraw/zinc/97/19/85/880971985.db2.gz CLDGDSUFTZXYBB-LLVKDONJSA-N 1 0 316.399 1.035 20 5 DDBDRO COC(=O)c1cc(CO[C@@H]2C[NH+]3CCC2CC3)cc([N+](=O)[O-])c1 ZINC001223688560 881058040 /nfs/dbraw/zinc/05/80/40/881058040.db2.gz OPUGEISRGQELET-OAHLLOKOSA-N 1 0 320.345 1.992 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)OCc1ccc2ncccc2c1 ZINC001223799871 881102409 /nfs/dbraw/zinc/10/24/09/881102409.db2.gz XMSWECMVXBIPJH-OAHLLOKOSA-N 1 0 303.382 1.735 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)OCc1cccc2ncccc12 ZINC001223880490 881132360 /nfs/dbraw/zinc/13/23/60/881132360.db2.gz RBMJRYLNLVFEKQ-CQSZACIVSA-N 1 0 303.382 1.735 20 5 DDBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N[C@@]12CC[N@H+](C1)CCC2 ZINC001288003824 912658941 /nfs/dbraw/zinc/65/89/41/912658941.db2.gz FCZHTWBDEISFQF-OUOZUETKSA-N 1 0 301.346 1.963 20 5 DDBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1ncc([N+](=O)[O-])c3nc[nH]c31)C2 ZINC001227692958 883136386 /nfs/dbraw/zinc/13/63/86/883136386.db2.gz HLHDHJXAVAEUKP-ILWJIGKKSA-N 1 0 303.322 1.870 20 5 DDBDRO C[NH+]1CCC2(CC[C@H](COc3nc[nH]c(=O)c3[N+](=O)[O-])O2)CC1 ZINC001228142256 883363699 /nfs/dbraw/zinc/36/36/99/883363699.db2.gz CAPMMGHDBGPAFQ-SNVBAGLBSA-N 1 0 324.337 1.113 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cc(Cl)cc(Cl)n1 ZINC001229049017 883791095 /nfs/dbraw/zinc/79/10/95/883791095.db2.gz VATKPSGVDDKHJN-SECBINFHSA-N 1 0 308.185 1.751 20 5 DDBDRO C[NH+]1CCC(Oc2n[nH]c(=O)c3cccc([N+](=O)[O-])c32)CC1 ZINC001229374813 883949268 /nfs/dbraw/zinc/94/92/68/883949268.db2.gz SFCZBLYXMXYOEV-UHFFFAOYSA-N 1 0 304.306 1.717 20 5 DDBDRO CCOC(=O)Cc1cccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)c1 ZINC001229716033 884125148 /nfs/dbraw/zinc/12/51/48/884125148.db2.gz NVJYBRHEPCZPOI-CQSZACIVSA-N 1 0 324.397 1.155 20 5 DDBDRO C[N@H+](CCCNC(=O)c1cn[nH]c1)Cc1cccc([N+](=O)[O-])c1 ZINC001234369289 887911212 /nfs/dbraw/zinc/91/12/12/887911212.db2.gz UOQWLZOABDRWMW-UHFFFAOYSA-N 1 0 317.349 1.570 20 5 DDBDRO CCOC(=O)[C@H](N)C[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001246414723 892612220 /nfs/dbraw/zinc/61/22/20/892612220.db2.gz BFPFIVIFSOXLPC-DZGCQCFKSA-N 1 0 321.377 1.322 20 5 DDBDRO [NH3+][C@@]12C[C@@H]1CCN(C1CCN(c3ccc([N+](=O)[O-])cc3)CC1)C2 ZINC001246662023 892774334 /nfs/dbraw/zinc/77/43/34/892774334.db2.gz VDVFBMISEKRBKS-SUMWQHHRSA-N 1 0 316.405 1.987 20 5 DDBDRO NC[C@H]1CCC[N@@H+]1C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001246908112 892982922 /nfs/dbraw/zinc/98/29/22/892982922.db2.gz LDPKDJWUIWZNSF-MRXNPFEDSA-N 1 0 304.394 1.987 20 5 DDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CC[NH+](CC(C)(C)O)CC1 ZINC001254571307 896508983 /nfs/dbraw/zinc/50/89/83/896508983.db2.gz SDUAMFOHEJOOGL-AWEZNQCLSA-N 1 0 321.421 1.914 20 5 DDBDRO C[C@]1(CO)C[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC[C@@H]1O ZINC001254593353 896522600 /nfs/dbraw/zinc/52/26/00/896522600.db2.gz LILUJHRMWPUFED-HRCADAONSA-N 1 0 306.362 1.127 20 5 DDBDRO C[NH+](C)C[C@H]1COCCN1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254606862 896527977 /nfs/dbraw/zinc/52/79/77/896527977.db2.gz ISMVAIXCLXSZEI-HOTGVXAUSA-N 1 0 305.378 1.324 20 5 DDBDRO COc1cc(N2CCC([NH2+]C(C)(C)CN)CC2)ccc1[N+](=O)[O-] ZINC001256086374 897277445 /nfs/dbraw/zinc/27/74/45/897277445.db2.gz WEINFJAGIIBZPB-UHFFFAOYSA-N 1 0 322.409 1.899 20 5 DDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC001261256832 899437796 /nfs/dbraw/zinc/43/77/96/899437796.db2.gz VXNOXNZXVRLFFM-JTQLQIEISA-N 1 0 320.271 1.646 20 5 DDBDRO COc1cc(C(=O)N[C@H]2C[NH+]3CCC2CC3)ccc1[N+](=O)[O-] ZINC001262639305 900283460 /nfs/dbraw/zinc/28/34/60/900283460.db2.gz YXVPAGPBVDZMEK-LBPRGKRZSA-N 1 0 305.334 1.427 20 5 DDBDRO CC[NH+](CC)[C@H]1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000076694513 185032195 /nfs/dbraw/zinc/03/21/95/185032195.db2.gz NMMGDSQLJVCJNX-LBPRGKRZSA-N 1 0 306.366 1.733 20 5 DDBDRO [NH3+][C@H]1CCC[C@@H](CNC(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000449640495 230624986 /nfs/dbraw/zinc/62/49/86/230624986.db2.gz SFNSXHLWYYUEEH-NEPJUHHUSA-N 1 0 307.350 1.607 20 5 DDBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3C[C@@H](O)[C@H](O)C3)o2)cc1 ZINC000278454283 214165154 /nfs/dbraw/zinc/16/51/54/214165154.db2.gz YNKBKAXCFLQEOA-ZIAGYGMSSA-N 1 0 304.302 1.392 20 5 DDBDRO COCC[NH+]1CCC(Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000278482975 214184151 /nfs/dbraw/zinc/18/41/51/214184151.db2.gz OWRGLNMFVZGAMZ-UHFFFAOYSA-N 1 0 319.365 1.994 20 5 DDBDRO C[C@@H]1CC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@H]1CO ZINC000249002292 282126136 /nfs/dbraw/zinc/12/61/36/282126136.db2.gz YYGXMRRHQPYISJ-BZPMIXESSA-N 1 0 310.350 1.037 20 5 DDBDRO COc1cc(C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)ccc1[N+](=O)[O-] ZINC000272850719 210247659 /nfs/dbraw/zinc/24/76/59/210247659.db2.gz HHWWLDMZFVOCRB-NSHDSACASA-N 1 0 319.361 1.984 20 5 DDBDRO C[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCC[C@@H](C)C1 ZINC000452073361 231291614 /nfs/dbraw/zinc/29/16/14/231291614.db2.gz VGQGXJVKFKXXBG-QVHKTLOISA-N 1 0 310.398 1.957 20 5 DDBDRO COC[C@@H]1CCCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000452035168 231276835 /nfs/dbraw/zinc/27/68/35/231276835.db2.gz GDRVOODIDLLGDF-KBPBESRZSA-N 1 0 324.377 1.835 20 5 DDBDRO CC[C@@H]([NH3+])CNC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000418720214 529559317 /nfs/dbraw/zinc/55/93/17/529559317.db2.gz VUGDHLNQFLSGQB-LLVKDONJSA-N 1 0 308.338 1.236 20 5 DDBDRO CC[C@@H]([NH3+])CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000294708238 529567209 /nfs/dbraw/zinc/56/72/09/529567209.db2.gz BHRBSTFGJQAGRT-GFCCVEGCSA-N 1 0 306.366 1.662 20 5 DDBDRO CC[N@H+](C)C[C@@H]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090551752 185302674 /nfs/dbraw/zinc/30/26/74/185302674.db2.gz NJHWJFBSJJFHIV-ZDUSSCGKSA-N 1 0 308.382 1.030 20 5 DDBDRO CCOc1ccc([C@H](C)[NH2+]CC2(CO)COC2)cc1[N+](=O)[O-] ZINC000090642742 185308084 /nfs/dbraw/zinc/30/80/84/185308084.db2.gz WGJDQZSVWUIQGJ-NSHDSACASA-N 1 0 310.350 1.653 20 5 DDBDRO O=C(/C=C\c1ccccc1[N+](=O)[O-])N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000255417901 282256016 /nfs/dbraw/zinc/25/60/16/282256016.db2.gz NBTVRIHNBQAFBW-WBTMPAOCSA-N 1 0 301.346 1.915 20 5 DDBDRO C[NH2+]C[C@@H]1CCCN1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000161298433 290690330 /nfs/dbraw/zinc/69/03/30/290690330.db2.gz RHZTVWBSBWDACI-LBPRGKRZSA-N 1 0 309.391 1.897 20 5 DDBDRO C[N@H+](CCCCNc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CC1 ZINC000413350656 529884125 /nfs/dbraw/zinc/88/41/25/529884125.db2.gz XJMFMGCVUZROAX-UHFFFAOYSA-N 1 0 306.366 1.980 20 5 DDBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@]1(O)CCN(C)C1 ZINC000358257074 299108656 /nfs/dbraw/zinc/10/86/56/299108656.db2.gz TXTMOXWINZNAPN-CJNGLKHVSA-N 1 0 307.394 1.572 20 5 DDBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CCC1CS(=O)(=O)C1 ZINC000615728216 362417383 /nfs/dbraw/zinc/41/73/83/362417383.db2.gz ZPTGJFFLYSSNJT-HWKANZROSA-N 1 0 310.375 1.632 20 5 DDBDRO CCNC(=O)[C@@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000292748711 282357502 /nfs/dbraw/zinc/35/75/02/282357502.db2.gz BAFQTZUDTODJMT-KGLIPLIRSA-N 1 0 309.366 1.379 20 5 DDBDRO C[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C[C@@H]1CCCOC1 ZINC000181862084 199364525 /nfs/dbraw/zinc/36/45/25/199364525.db2.gz PTSJNEOHNTWFTD-KBPBESRZSA-N 1 0 324.377 1.693 20 5 DDBDRO C[N@H+](CCCCCO)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000279697329 215070150 /nfs/dbraw/zinc/07/01/50/215070150.db2.gz IFZAQRTVGZPJKT-UHFFFAOYSA-N 1 0 321.377 1.578 20 5 DDBDRO CCC(CC)(C[NH3+])C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000236667054 201954885 /nfs/dbraw/zinc/95/48/85/201954885.db2.gz LKHDJKKZGOGEJM-UHFFFAOYSA-N 1 0 308.382 1.888 20 5 DDBDRO CC1(C)C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000279755238 215118794 /nfs/dbraw/zinc/11/87/94/215118794.db2.gz LUQYLYLCXHMVLE-FZMZJTMJSA-N 1 0 310.350 1.037 20 5 DDBDRO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000048481094 352540621 /nfs/dbraw/zinc/54/06/21/352540621.db2.gz ODRNDZYFPSCWBW-UHFFFAOYSA-N 1 0 322.365 1.107 20 5 DDBDRO Cc1n[nH]c(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)c1[N+](=O)[O-] ZINC000331383853 233252313 /nfs/dbraw/zinc/25/23/13/233252313.db2.gz HNQDVPPOZQNSPO-SNVBAGLBSA-N 1 0 307.354 1.373 20 5 DDBDRO COCCC[N@H+](C)CCNC(=O)c1cccc([N+](=O)[O-])c1C ZINC000152435256 186072707 /nfs/dbraw/zinc/07/27/07/186072707.db2.gz OBEUTALDTNONOQ-UHFFFAOYSA-N 1 0 309.366 1.601 20 5 DDBDRO COCCC[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000152494770 186078737 /nfs/dbraw/zinc/07/87/37/186078737.db2.gz RGPWYZMFGICDPI-UHFFFAOYSA-N 1 0 309.366 1.601 20 5 DDBDRO CC(C)(C(=O)NCC1CCC(C[NH3+])CC1)n1cc([N+](=O)[O-])cn1 ZINC000343598635 282704193 /nfs/dbraw/zinc/70/41/93/282704193.db2.gz DNGVQVOALPABCF-UHFFFAOYSA-N 1 0 323.397 1.408 20 5 DDBDRO COc1cc(C[NH2+][C@H]2CCC[C@H]2CCO)c([N+](=O)[O-])cc1O ZINC000189951199 186253920 /nfs/dbraw/zinc/25/39/20/186253920.db2.gz VXEUKZZQCLMOBE-JQWIXIFHSA-N 1 0 310.350 1.950 20 5 DDBDRO Cc1c(C(=O)NC2(CCO)CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000354142580 290920014 /nfs/dbraw/zinc/92/00/14/290920014.db2.gz IPABWPWGPQDRNC-UHFFFAOYSA-N 1 0 321.377 1.480 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H]2CSc3ccccc32)c1 ZINC000564854994 304019346 /nfs/dbraw/zinc/01/93/46/304019346.db2.gz VBVQXOUKRFXUJV-WCQYABFASA-N 1 0 320.374 1.589 20 5 DDBDRO CCC[NH+]1CCN(C(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000058847796 352853578 /nfs/dbraw/zinc/85/35/78/352853578.db2.gz HGGMTMYAZHNETQ-UHFFFAOYSA-N 1 0 307.350 1.528 20 5 DDBDRO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)[C@H]1C[C@H]1[N+](=O)[O-] ZINC000067837661 353070312 /nfs/dbraw/zinc/07/03/12/353070312.db2.gz SONSJJQFVUKQLN-JKSUJKDBSA-N 1 0 317.389 1.680 20 5 DDBDRO COc1ccc(OCCN2CC[C@H](C[NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000173745605 198247799 /nfs/dbraw/zinc/24/77/99/198247799.db2.gz WAGIETBGVSCFNX-CYBMUJFWSA-N 1 0 323.393 1.866 20 5 DDBDRO C[NH+](C)C1(CNC(=O)Cc2ccccc2[N+](=O)[O-])CCOCC1 ZINC000073133071 353240237 /nfs/dbraw/zinc/24/02/37/353240237.db2.gz QNHCQYOKMWVZGC-UHFFFAOYSA-N 1 0 321.377 1.364 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)C1CC[NH+](C)CC1 ZINC000174161673 198300337 /nfs/dbraw/zinc/30/03/37/198300337.db2.gz RILJRKKZOFUVRO-UHFFFAOYSA-N 1 0 307.350 1.561 20 5 DDBDRO Cc1c(C(=O)NCC2(O)CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000080881737 353634148 /nfs/dbraw/zinc/63/41/48/353634148.db2.gz ZPJPXKFLJHDXQD-UHFFFAOYSA-N 1 0 307.350 1.090 20 5 DDBDRO COc1cc(N2CCC([N@@H+]3CC[C@H](O)C3)CC2)ccc1[N+](=O)[O-] ZINC000114007395 353978706 /nfs/dbraw/zinc/97/87/06/353978706.db2.gz QXXYHGJJGSTCOW-AWEZNQCLSA-N 1 0 321.377 1.639 20 5 DDBDRO C[C@@]1(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCCS1 ZINC000122225727 354024693 /nfs/dbraw/zinc/02/46/93/354024693.db2.gz IKAOQVIBBZFOIT-RYUDHWBXSA-N 1 0 300.384 1.028 20 5 DDBDRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000127801785 354068529 /nfs/dbraw/zinc/06/85/29/354068529.db2.gz WGGJAJTUUOGUBK-PELKAZGASA-N 1 0 313.741 1.436 20 5 DDBDRO C[NH+](C)[C@H]1CCCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000332285314 234752579 /nfs/dbraw/zinc/75/25/79/234752579.db2.gz YUKJSKRFHLFCSG-LBPRGKRZSA-N 1 0 303.366 1.997 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@H](CO)CC1 ZINC000293056318 354453244 /nfs/dbraw/zinc/45/32/44/354453244.db2.gz IFHQJXOLRKTUPR-KBPBESRZSA-N 1 0 324.377 1.429 20 5 DDBDRO CS[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000300673336 354458424 /nfs/dbraw/zinc/45/84/24/354458424.db2.gz QEVFLMLPHOBPLW-KGYLQXTDSA-N 1 0 314.411 1.416 20 5 DDBDRO CC[C@H]1CN(C(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000316789015 354506391 /nfs/dbraw/zinc/50/63/91/354506391.db2.gz HHEIUUWILUPUQL-JQWIXIFHSA-N 1 0 307.350 1.803 20 5 DDBDRO C[C@@H](CNC(=O)Nc1ccncc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000183630043 199624168 /nfs/dbraw/zinc/62/41/68/199624168.db2.gz HLBBGYAFKLOECW-NSHDSACASA-N 1 0 307.354 1.843 20 5 DDBDRO C[NH2+]Cc1ccccc1CNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000404525941 354675960 /nfs/dbraw/zinc/67/59/60/354675960.db2.gz SLPLSDVDKAUFFO-UHFFFAOYSA-N 1 0 302.334 1.583 20 5 DDBDRO COC1CC[NH+](CCNc2cc(N)c([N+](=O)[O-])c(CO)c2)CC1 ZINC000587993747 354889876 /nfs/dbraw/zinc/88/98/76/354889876.db2.gz IEIKBXXYYGSCEQ-UHFFFAOYSA-N 1 0 324.381 1.192 20 5 DDBDRO CN(CC[NH+]1CCCC1)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000589196653 354971569 /nfs/dbraw/zinc/97/15/69/354971569.db2.gz QHUWPFHRWZZSBF-UHFFFAOYSA-N 1 0 321.377 1.894 20 5 DDBDRO NC(=O)C[C@H]1CC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000589209266 354973934 /nfs/dbraw/zinc/97/39/34/354973934.db2.gz BLLWSSUWDRGVKZ-SNVBAGLBSA-N 1 0 321.333 1.063 20 5 DDBDRO CC[C@H]1C[N@H+](Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C[C@@H]1O ZINC000589505437 354997603 /nfs/dbraw/zinc/99/76/03/354997603.db2.gz IHHOEQQDYYBZGI-HZMBPMFUSA-N 1 0 308.334 1.584 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H]2C[C@@H](O)C2(C)C)c1 ZINC000589515092 354998780 /nfs/dbraw/zinc/99/87/80/354998780.db2.gz XYBNAKWQFUGQQE-CHWSQXEVSA-N 1 0 308.334 1.630 20 5 DDBDRO CN1C[C@@H]2CC[N@H+](CCCOc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000590011980 355040671 /nfs/dbraw/zinc/04/06/71/355040671.db2.gz NSJXUWKXIVKKHC-XJKSGUPXSA-N 1 0 305.378 2.000 20 5 DDBDRO C[N@@H+]1CCC[C@]2(CCN(c3ccc4ncc([N+](=O)[O-])n4n3)C2)C1 ZINC000590141947 355053148 /nfs/dbraw/zinc/05/31/48/355053148.db2.gz VWQFUFAALZEUKO-HNNXBMFYSA-N 1 0 316.365 1.560 20 5 DDBDRO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCC[C@](O)(CO)C2)cc1 ZINC000590970139 355226257 /nfs/dbraw/zinc/22/62/57/355226257.db2.gz FIFSYNUHPOIHCU-OAHLLOKOSA-N 1 0 310.350 1.183 20 5 DDBDRO Cc1c(NC(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)cccc1[N+](=O)[O-] ZINC000591272493 355274697 /nfs/dbraw/zinc/27/46/97/355274697.db2.gz VWXMCAVTBQXRAR-GXFFZTMASA-N 1 0 308.338 1.483 20 5 DDBDRO COc1ccc(CNC(=O)NC[C@@H]2CCCC[NH2+]2)cc1[N+](=O)[O-] ZINC000591346346 355294452 /nfs/dbraw/zinc/29/44/52/355294452.db2.gz RWTUOKQLNMHIEZ-LBPRGKRZSA-N 1 0 322.365 1.545 20 5 DDBDRO CC[C@@H]1CN(C(=O)NCCc2cccc([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000591356126 355298233 /nfs/dbraw/zinc/29/82/33/355298233.db2.gz RCDGNWQRNKFMHL-HIFRSBDPSA-N 1 0 320.393 1.906 20 5 DDBDRO Cn1ccnc1[C@@H](NCC[NH2+]C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000591577338 355330008 /nfs/dbraw/zinc/33/00/08/355330008.db2.gz SQZVQHDLNJMRPN-HNNXBMFYSA-N 1 0 315.377 1.759 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000591299357 355283394 /nfs/dbraw/zinc/28/33/94/355283394.db2.gz JAMHLJPUYNFOSH-ZWNOBZJWSA-N 1 0 320.349 1.819 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H]1CCCSC1 ZINC000591749702 355376139 /nfs/dbraw/zinc/37/61/39/355376139.db2.gz QPNUHDYNZIRZRA-NWDGAFQWSA-N 1 0 312.391 1.820 20 5 DDBDRO Cc1ccc(NCCCNC(=O)[C@H]2[NH2+]CC2(C)C)c([N+](=O)[O-])c1 ZINC000591667932 355357560 /nfs/dbraw/zinc/35/75/60/355357560.db2.gz GJLRVGJKQWQYCK-CQSZACIVSA-N 1 0 320.393 1.819 20 5 DDBDRO Cc1c(Br)c(=O)n(CC2C[NH2+]C2)cc1[N+](=O)[O-] ZINC000592166730 355523895 /nfs/dbraw/zinc/52/38/95/355523895.db2.gz LUSREQCXPBTFMC-UHFFFAOYSA-N 1 0 302.128 1.047 20 5 DDBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC(C)([NH3+])CC1 ZINC000592485270 355596031 /nfs/dbraw/zinc/59/60/31/355596031.db2.gz VRDVLXXTRHYSHA-NSHDSACASA-N 1 0 306.366 1.735 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H]1CC[C@@H](CO)CC1 ZINC000592430947 355580996 /nfs/dbraw/zinc/58/09/96/355580996.db2.gz SJJFJWDOJHOEEL-HZSPNIEDSA-N 1 0 324.377 1.475 20 5 DDBDRO CC(C)O[C@H]1CCC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000593055558 355781674 /nfs/dbraw/zinc/78/16/74/355781674.db2.gz LQBZPPXGOBDPGM-KGLIPLIRSA-N 1 0 312.370 1.042 20 5 DDBDRO CC[C@H]1COC(C)(C)C[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000593056739 355782545 /nfs/dbraw/zinc/78/25/45/355782545.db2.gz OLCVDUASFLFFDJ-AAEUAGOBSA-N 1 0 312.370 1.042 20 5 DDBDRO C[C@@H]1[C@H](C)N(C(=O)COc2ccc([N+](=O)[O-])cc2)[C@@H](C)C[N@@H+]1C ZINC000593187545 355819895 /nfs/dbraw/zinc/81/98/95/355819895.db2.gz LQYORTDHMSBWMH-XQQFMLRXSA-N 1 0 321.377 1.913 20 5 DDBDRO CN1CC[N@H+](C)C[C@@H]1CNc1ccnc2cc([N+](=O)[O-])ccc21 ZINC000593463002 355893449 /nfs/dbraw/zinc/89/34/49/355893449.db2.gz JZVPSJWITSQPSW-ZDUSSCGKSA-N 1 0 315.377 1.801 20 5 DDBDRO COCC[NH2+]C1CCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000593739146 355982145 /nfs/dbraw/zinc/98/21/45/355982145.db2.gz YBUKVSODCNWBLQ-UHFFFAOYSA-N 1 0 311.357 1.934 20 5 DDBDRO CN(CC(=O)N[C@H](C[NH3+])C(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000594450512 356220952 /nfs/dbraw/zinc/22/09/52/356220952.db2.gz AKIHYYHSLCAYIS-SNVBAGLBSA-N 1 0 320.271 1.037 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C[NH3+])C(F)(F)F)c1 ZINC000594451322 356221881 /nfs/dbraw/zinc/22/18/81/356221881.db2.gz KGQYQLWZHIZOJB-SECBINFHSA-N 1 0 307.228 1.223 20 5 DDBDRO CNc1c(C(=O)N2[C@@H]3CC[C@H]2CC[N@@H+](C)C3)cccc1[N+](=O)[O-] ZINC000594360515 356182768 /nfs/dbraw/zinc/18/27/68/356182768.db2.gz KKQMVPCKZWXTJV-NWDGAFQWSA-N 1 0 318.377 1.945 20 5 DDBDRO Cc1n[nH]c(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000594418449 356204301 /nfs/dbraw/zinc/20/43/01/356204301.db2.gz JBAFFCZSRDJNJH-MNOVXSKESA-N 1 0 307.354 1.373 20 5 DDBDRO NC(=O)c1ccc(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])cn1 ZINC000594495588 356237390 /nfs/dbraw/zinc/23/73/90/356237390.db2.gz CKEROWANVGJNHZ-CYBMUJFWSA-N 1 0 312.329 1.866 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]Cc2ccc3occc3c2)c1 ZINC000594718571 356295083 /nfs/dbraw/zinc/29/50/83/356295083.db2.gz SVLPRYMUBPPMEG-AWEZNQCLSA-N 1 0 316.317 1.688 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@@H]1C[N@H+](C)CCN1C ZINC000595017605 356373110 /nfs/dbraw/zinc/37/31/10/356373110.db2.gz KSTURMJKVCDXLH-GXTWGEPZSA-N 1 0 322.409 1.500 20 5 DDBDRO CN(CC(C)(C)[NH3+])S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000595116387 356384760 /nfs/dbraw/zinc/38/47/60/356384760.db2.gz ROCPALGYYSPXOF-UHFFFAOYSA-N 1 0 305.331 1.092 20 5 DDBDRO C[NH2+]C[C@@H](C)NS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000595122850 356386864 /nfs/dbraw/zinc/38/68/64/356386864.db2.gz WPTFLAIAUHUYNO-SNVBAGLBSA-N 1 0 301.368 1.098 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCCN1CCOCC1 ZINC000595006065 356371220 /nfs/dbraw/zinc/37/12/20/356371220.db2.gz GWKVTHYKSVLSPC-CYBMUJFWSA-N 1 0 323.393 1.976 20 5 DDBDRO CCCc1n[nH]c(C(=O)N(C)CC[C@@H]([NH3+])C(C)C)c1[N+](=O)[O-] ZINC000236858135 202040980 /nfs/dbraw/zinc/04/09/80/202040980.db2.gz RNEAGYFOJUPRQK-SNVBAGLBSA-N 1 0 311.386 1.716 20 5 DDBDRO CN(CC1C[NH+](C)C1)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000595574989 356558352 /nfs/dbraw/zinc/55/83/52/356558352.db2.gz RXZURRPGUUXEIP-UHFFFAOYSA-N 1 0 306.366 1.340 20 5 DDBDRO CCOc1cc(C[N@H+](C)C[C@H]2COCCO2)ccc1[N+](=O)[O-] ZINC000595736584 356628265 /nfs/dbraw/zinc/62/82/65/356628265.db2.gz MSGBRJPSGQBOEQ-ZDUSSCGKSA-N 1 0 310.350 1.841 20 5 DDBDRO CC[C@H](C)[C@H]([NH3+])C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000237013260 202121778 /nfs/dbraw/zinc/12/17/78/202121778.db2.gz HKXHRHCSKSTUEC-WDMOLILDSA-N 1 0 321.381 1.376 20 5 DDBDRO O=C(CC[NH2+][C@H]1C[C@H](O)C12CCC2)Nc1ccc([N+](=O)[O-])cc1 ZINC000595782028 356649429 /nfs/dbraw/zinc/64/94/29/356649429.db2.gz NDIRMXZEXQJNHD-KBPBESRZSA-N 1 0 319.361 1.817 20 5 DDBDRO CC[NH2+]CCNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000237019347 202124049 /nfs/dbraw/zinc/12/40/49/202124049.db2.gz XWSQYJYPDWMFLE-UHFFFAOYSA-N 1 0 307.759 1.136 20 5 DDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000595833835 356670621 /nfs/dbraw/zinc/67/06/21/356670621.db2.gz RZRUGRHRWBHWCM-JHJVBQTASA-N 1 0 319.361 1.890 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@H]3COC[C@H]3C2)c1 ZINC000595826783 356665726 /nfs/dbraw/zinc/66/57/26/356665726.db2.gz IOEKLKUNKQGBAJ-GXTWGEPZSA-N 1 0 320.345 1.850 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+](CCC2CC2)CC2CC2)c1 ZINC000595871469 356686952 /nfs/dbraw/zinc/68/69/52/356686952.db2.gz OOEQDYFTQKZFIX-OAHLLOKOSA-N 1 0 308.382 1.664 20 5 DDBDRO CCOc1ccc(C(=O)N2CC3CC2(C[NH3+])C3)cc1[N+](=O)[O-] ZINC000595965751 356727495 /nfs/dbraw/zinc/72/74/95/356727495.db2.gz JMSACXUXSDBDRK-UHFFFAOYSA-N 1 0 305.334 1.557 20 5 DDBDRO Cn1c(C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)ccc1[N+](=O)[O-] ZINC000595936627 356712278 /nfs/dbraw/zinc/71/22/78/356712278.db2.gz PKNDGCNLXSKYLF-CYBMUJFWSA-N 1 0 320.393 1.785 20 5 DDBDRO NC(=O)c1cc(N[C@H]2CC[N@@H+]3CCCC[C@H]23)ccc1[N+](=O)[O-] ZINC000596074491 356762271 /nfs/dbraw/zinc/76/22/71/356762271.db2.gz AZGODRKAXQHARE-GXTWGEPZSA-N 1 0 304.350 1.732 20 5 DDBDRO C[C@H]1CCCC[N@@H+]1CCNc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596076202 356763542 /nfs/dbraw/zinc/76/35/42/356763542.db2.gz MVNMVAAVWOYGEN-NSHDSACASA-N 1 0 306.366 1.980 20 5 DDBDRO NC(=O)c1cc(N2CCC[C@@H]([NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000596083256 356766460 /nfs/dbraw/zinc/76/64/60/356766460.db2.gz RFUVAYFMUIPSER-CYBMUJFWSA-N 1 0 318.377 1.758 20 5 DDBDRO Cc1cnc(N2CCC(CO)([NH2+]CC3CC3)CC2)c([N+](=O)[O-])c1 ZINC000596263769 356837474 /nfs/dbraw/zinc/83/74/74/356837474.db2.gz JSNTXURYQXYLQV-UHFFFAOYSA-N 1 0 320.393 1.629 20 5 DDBDRO Cc1ccnc(N2CCC([N@@H+]3CCCOCC3)CC2)c1[N+](=O)[O-] ZINC000596267885 356838577 /nfs/dbraw/zinc/83/85/77/356838577.db2.gz BGJHODSUHJMVOL-UHFFFAOYSA-N 1 0 320.393 1.989 20 5 DDBDRO Cn1ncc2c1CC(C)(C)C[N@H+](CCn1cc([N+](=O)[O-])cn1)C2 ZINC000596598129 356930531 /nfs/dbraw/zinc/93/05/31/356930531.db2.gz BWRTVRCDHUJKST-UHFFFAOYSA-N 1 0 318.381 1.609 20 5 DDBDRO C[C@H](NCc1nc(C[NH3+])cc(=O)[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000596652054 356942576 /nfs/dbraw/zinc/94/25/76/356942576.db2.gz FQBNJEKXMZKEQX-VIFPVBQESA-N 1 0 303.322 1.400 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000237241041 202202171 /nfs/dbraw/zinc/20/21/71/202202171.db2.gz WFOPGQMRIXWBIR-QWRGUYRKSA-N 1 0 307.350 1.803 20 5 DDBDRO Cn1cc([N+](=O)[O-])c(C(=O)NCC(C)(C)C[NH+]2CCCC2)n1 ZINC000276886347 213155128 /nfs/dbraw/zinc/15/51/28/213155128.db2.gz PZQFXLCQIYQUPY-UHFFFAOYSA-N 1 0 309.370 1.180 20 5 DDBDRO C[C@]12COC[C@@H]1C[N@H+](Cc1cc3c(cc1[N+](=O)[O-])OCCO3)C2 ZINC000597209899 357094802 /nfs/dbraw/zinc/09/48/02/357094802.db2.gz FJOFLBIOCGYQFG-LRDDRELGSA-N 1 0 320.345 1.834 20 5 DDBDRO COc1cc(OCC(=O)N2CC(C[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000597708513 357295296 /nfs/dbraw/zinc/29/52/96/357295296.db2.gz NWWMKWDWOXDAIU-UHFFFAOYSA-N 1 0 323.349 1.002 20 5 DDBDRO C[C@H](CCNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)[NH+](C)C ZINC000597992940 357409325 /nfs/dbraw/zinc/40/93/25/357409325.db2.gz PLSAVWGIFIKSJS-SECBINFHSA-N 1 0 315.320 1.872 20 5 DDBDRO CCN(C(=O)CCn1cc([N+](=O)[O-])cn1)[C@H]1CC[N@H+](CC)C1 ZINC000598040871 357438180 /nfs/dbraw/zinc/43/81/80/357438180.db2.gz IEBRLNFSCDHNGY-LBPRGKRZSA-N 1 0 309.370 1.124 20 5 DDBDRO O=C(N[C@H]1CC[N@@H+](C2CCCCC2)C1)c1[nH]ncc1[N+](=O)[O-] ZINC000598220994 357497401 /nfs/dbraw/zinc/49/74/01/357497401.db2.gz SZSJEJXPOOVWLF-JTQLQIEISA-N 1 0 307.354 1.455 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H](C)C[NH+]1CCC(C)CC1 ZINC000598261434 357512271 /nfs/dbraw/zinc/51/22/71/357512271.db2.gz FLKUHBDKOANBOT-GFCCVEGCSA-N 1 0 323.397 1.336 20 5 DDBDRO CC[C@@H]1CN(C(=O)COc2cccc([N+](=O)[O-])c2)C[C@H](C)[NH2+]1 ZINC000598535366 357624352 /nfs/dbraw/zinc/62/43/52/357624352.db2.gz CQYYGROMXDUMIO-NWDGAFQWSA-N 1 0 307.350 1.573 20 5 DDBDRO CC[C@@H]1CN(C(=O)CNc2ccccc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000598536302 357625053 /nfs/dbraw/zinc/62/50/53/357625053.db2.gz RFGRPPFJFATJHK-NWDGAFQWSA-N 1 0 306.366 1.606 20 5 DDBDRO COc1cc(C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)cc([N+](=O)[O-])c1C ZINC000598668244 357678520 /nfs/dbraw/zinc/67/85/20/357678520.db2.gz RCOPRGZQYWYCNQ-BLLLJJGKSA-N 1 0 319.361 1.865 20 5 DDBDRO COC(=O)CCNC(=O)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000599006730 357791817 /nfs/dbraw/zinc/79/18/17/357791817.db2.gz HEPCHACOQWSRDH-UHFFFAOYSA-N 1 0 323.349 1.062 20 5 DDBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCN1CC[C@@H](O)C1 ZINC000599010649 357793318 /nfs/dbraw/zinc/79/33/18/357793318.db2.gz UBESDLMWCICDCP-RCBBPTIPSA-N 1 0 305.378 1.654 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000599101750 357816002 /nfs/dbraw/zinc/81/60/02/357816002.db2.gz AWUCEMSVMQIEDY-GHMZBOCLSA-N 1 0 313.379 1.322 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC(C[NH+]3CCN(C)CC3)C2)n1 ZINC000599109349 357818422 /nfs/dbraw/zinc/81/84/22/357818422.db2.gz UUSRDKPQNZXMCV-UHFFFAOYSA-N 1 0 319.409 1.290 20 5 DDBDRO COC(=O)CCCC[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000599259577 357864770 /nfs/dbraw/zinc/86/47/70/357864770.db2.gz NCJYLWYCTSWHQN-UHFFFAOYSA-N 1 0 322.365 1.455 20 5 DDBDRO C[C@H]1C[NH+](CCn2cc([N+](=O)[O-])ccc2=O)C[C@H](C)C1(F)F ZINC000599513219 357960658 /nfs/dbraw/zinc/96/06/58/357960658.db2.gz RAFFLGZMKUZIBH-QWRGUYRKSA-N 1 0 315.320 1.980 20 5 DDBDRO C[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)CC1(C)COC1 ZINC000599571303 357979788 /nfs/dbraw/zinc/97/97/88/357979788.db2.gz BNLXOKWAEMDJKL-UHFFFAOYSA-N 1 0 308.334 1.930 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000599694163 358029096 /nfs/dbraw/zinc/02/90/96/358029096.db2.gz DVTVBAUDVMXYLP-LBPRGKRZSA-N 1 0 308.338 1.091 20 5 DDBDRO C[NH2+]CCOCCNC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000599921529 358081450 /nfs/dbraw/zinc/08/14/50/358081450.db2.gz UBYRRPNLQUTBHK-GFCCVEGCSA-N 1 0 324.381 1.499 20 5 DDBDRO C[C@@H]1CCC[N@H+](CCNC(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000180531250 199172122 /nfs/dbraw/zinc/17/21/22/199172122.db2.gz WCYCXPHWKCXJRY-SNVBAGLBSA-N 1 0 307.354 1.034 20 5 DDBDRO COC(=O)c1cnc(N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c([N+](=O)[O-])c1 ZINC000276627926 213009985 /nfs/dbraw/zinc/00/99/85/213009985.db2.gz VRYGDUKREGRVPS-VXGBXAGGSA-N 1 0 320.349 1.815 20 5 DDBDRO CC[N@@H+]1CC[C@H](CNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000180839725 199216666 /nfs/dbraw/zinc/21/66/66/199216666.db2.gz QKJOVRZAOWGIBF-SNVBAGLBSA-N 1 0 321.333 1.395 20 5 DDBDRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000601006289 358379138 /nfs/dbraw/zinc/37/91/38/358379138.db2.gz UNHAHNGHXWANRE-JTQLQIEISA-N 1 0 307.325 1.948 20 5 DDBDRO CC(C)[NH2+][C@@H]1CCCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000618370861 363609480 /nfs/dbraw/zinc/60/94/80/363609480.db2.gz MASMIHZMCBCXOY-LLVKDONJSA-N 1 0 308.338 1.298 20 5 DDBDRO C[C@H]1CN(c2ccnc3ccc([N+](=O)[O-])cc32)CC[N@@H+]1CCO ZINC000601150111 358422450 /nfs/dbraw/zinc/42/24/50/358422450.db2.gz WHPMIOILKLYEPC-LBPRGKRZSA-N 1 0 316.361 1.646 20 5 DDBDRO Cc1cc(N2CCC[C@@](O)(C[NH+](C)C)C2)c(F)cc1[N+](=O)[O-] ZINC000601189744 358440184 /nfs/dbraw/zinc/44/01/84/358440184.db2.gz UJLUEJCHWMGNPS-OAHLLOKOSA-N 1 0 311.357 1.935 20 5 DDBDRO O=C(COc1cccc([N+](=O)[O-])c1)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000601557967 358599955 /nfs/dbraw/zinc/59/99/55/358599955.db2.gz PTAHRZXKOIPYTM-IUODEOHRSA-N 1 0 319.361 1.574 20 5 DDBDRO NC(=O)c1ccnc(N2CC[NH+](C3CCCC3)CC2)c1[N+](=O)[O-] ZINC000290517114 283388041 /nfs/dbraw/zinc/38/80/41/283388041.db2.gz MHMFKNJOXXWNIB-UHFFFAOYSA-N 1 0 319.365 1.153 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000601974938 358760929 /nfs/dbraw/zinc/76/09/29/358760929.db2.gz UECNCOORUKSVSR-BETUJISGSA-N 1 0 319.361 1.810 20 5 DDBDRO O=C1[C@@H]([N@@H+]2C[C@@H]3COC[C@@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000601975501 358762007 /nfs/dbraw/zinc/76/20/07/358762007.db2.gz WJOAFGPUCVUYEV-ZOWXZIJZSA-N 1 0 317.345 1.278 20 5 DDBDRO CNC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000348157954 283394915 /nfs/dbraw/zinc/39/49/15/283394915.db2.gz GJMRLMFEPXXYCR-WDEREUQCSA-N 1 0 318.333 1.740 20 5 DDBDRO C[N@@H+]1CCCC[C@H]1C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000602043664 358788987 /nfs/dbraw/zinc/78/89/87/358788987.db2.gz FXGUFTSJWSTJGA-AWEZNQCLSA-N 1 0 306.366 1.607 20 5 DDBDRO Cn1cc(CN2CCC[N@H+](C[C@H]3CCCO3)CC2)c([N+](=O)[O-])n1 ZINC000602442589 358979062 /nfs/dbraw/zinc/97/90/62/358979062.db2.gz ZNJCOQOJUNQXSC-CQSZACIVSA-N 1 0 323.397 1.015 20 5 DDBDRO CN(C(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1)[C@H]1CC[NH2+]C1 ZINC000602428140 358969230 /nfs/dbraw/zinc/96/92/30/358969230.db2.gz GJVCTBFCGDPDOJ-AWEZNQCLSA-N 1 0 303.362 1.837 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCn3cccn3)CC2)cn1 ZINC000602519280 359022984 /nfs/dbraw/zinc/02/29/84/359022984.db2.gz XAQIOEATPWYCKJ-UHFFFAOYSA-N 1 0 316.365 1.445 20 5 DDBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@@H]2CCCCN2CCO)cc1 ZINC000602675561 359119662 /nfs/dbraw/zinc/11/96/62/359119662.db2.gz ULCKIYQEKUYOAC-INIZCTEOSA-N 1 0 307.394 1.574 20 5 DDBDRO CC1(C)COC[C@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602679318 359121538 /nfs/dbraw/zinc/12/15/38/359121538.db2.gz CYIMMCZBFYUDPG-CQSZACIVSA-N 1 0 320.393 1.973 20 5 DDBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000602598110 359063140 /nfs/dbraw/zinc/06/31/40/359063140.db2.gz BLKYIMWQGIRACK-NHCYSSNCSA-N 1 0 307.375 1.648 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CCN1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000602782540 359187676 /nfs/dbraw/zinc/18/76/76/359187676.db2.gz CSJMQSHSYFHWGH-KBPBESRZSA-N 1 0 307.398 1.516 20 5 DDBDRO CO[C@H](C[NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000602733102 359155920 /nfs/dbraw/zinc/15/59/20/359155920.db2.gz TUGOXEQDIPTDNH-MAZHCROVSA-N 1 0 324.377 1.443 20 5 DDBDRO Cc1cnn([C@H]2CC[N@H+](CCn3c(C)ncc3[N+](=O)[O-])C2)c1 ZINC000602836781 359227654 /nfs/dbraw/zinc/22/76/54/359227654.db2.gz ISGUJEIBPDHLCZ-ZDUSSCGKSA-N 1 0 304.354 1.552 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000602851688 359239243 /nfs/dbraw/zinc/23/92/43/359239243.db2.gz CAFQMLHOOUUXRD-ZIAGYGMSSA-N 1 0 308.382 1.991 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](CCO)c1ccccc1 ZINC000602803674 359203405 /nfs/dbraw/zinc/20/34/05/359203405.db2.gz ZSCWYWIEFFCURN-CQSZACIVSA-N 1 0 304.350 1.813 20 5 DDBDRO C[C@@H](c1ccccc1)[C@@H](CO)[NH2+]Cc1cn(C)nc1[N+](=O)[O-] ZINC000602810855 359208512 /nfs/dbraw/zinc/20/85/12/359208512.db2.gz OVRBKUGNTSWFCR-SMDDNHRTSA-N 1 0 304.350 1.583 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCOCC2(CCCC2)C1 ZINC000602820289 359214493 /nfs/dbraw/zinc/21/44/93/359214493.db2.gz RVUWFPDZNPPMFL-UHFFFAOYSA-N 1 0 308.382 1.992 20 5 DDBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H]1CCc2ncnn21 ZINC000602823419 359217356 /nfs/dbraw/zinc/21/73/56/359217356.db2.gz KOQPCSHDTOTGLP-AWEZNQCLSA-N 1 0 301.350 1.848 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC2(CCOCC2)CC1 ZINC000602826329 359219916 /nfs/dbraw/zinc/21/99/16/359219916.db2.gz LZYFFKLTXQSODA-UHFFFAOYSA-N 1 0 308.382 1.992 20 5 DDBDRO Cn1cc(C[N@@H+]2CC3(CCOCC3)CC[C@@H]2CO)c([N+](=O)[O-])n1 ZINC000602917644 359293802 /nfs/dbraw/zinc/29/38/02/359293802.db2.gz SVEZTOGQHJXZTJ-CYBMUJFWSA-N 1 0 324.381 1.082 20 5 DDBDRO Cc1cncc([N+](=O)[O-])c1NC(=O)N(CC[NH+](C)C)CC(C)C ZINC000602955137 359320628 /nfs/dbraw/zinc/32/06/28/359320628.db2.gz YDTIZQCQYJQMIN-UHFFFAOYSA-N 1 0 323.397 1.772 20 5 DDBDRO C[N@@H+]1CCC[C@H]1CCN[C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602963069 359326880 /nfs/dbraw/zinc/32/68/80/359326880.db2.gz SUXQZCXHFSPJPB-HOCLYGCPSA-N 1 0 307.394 1.876 20 5 DDBDRO C[C@@H]([NH2+][C@@H](CC(N)=O)C1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000348279100 283447713 /nfs/dbraw/zinc/44/77/13/283447713.db2.gz OJMNHGMZKROUJL-RISCZKNCSA-N 1 0 321.377 1.916 20 5 DDBDRO O=[N+]([O-])c1cnc(NC2CC[NH+](C3CCOCC3)CC2)nc1 ZINC000603407026 359621379 /nfs/dbraw/zinc/62/13/79/359621379.db2.gz AEIJMGCGBHXXJK-UHFFFAOYSA-N 1 0 307.354 1.440 20 5 DDBDRO CCOC1CC[NH+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000604273866 359732286 /nfs/dbraw/zinc/73/22/86/359732286.db2.gz SUSLXDOOOGGBIJ-AWEZNQCLSA-N 1 0 324.377 1.835 20 5 DDBDRO CC(C)C[NH+]1CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000188079562 200190528 /nfs/dbraw/zinc/19/05/28/200190528.db2.gz UMJFBJLCVAQIPJ-UHFFFAOYSA-N 1 0 308.338 1.109 20 5 DDBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000188455503 200250051 /nfs/dbraw/zinc/25/00/51/200250051.db2.gz HKTYHIWUIFHJQR-IAQYHMDHSA-N 1 0 318.377 1.733 20 5 DDBDRO Cc1nn(CCC(=O)N2CCCC[C@@H]2C[NH3+])c(C)c1[N+](=O)[O-] ZINC000237871321 202375521 /nfs/dbraw/zinc/37/55/21/202375521.db2.gz JSCSTDKUGDXVTN-GFCCVEGCSA-N 1 0 309.370 1.138 20 5 DDBDRO C[C@@H]1CN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC[NH2+]1 ZINC000189013527 200335589 /nfs/dbraw/zinc/33/55/89/200335589.db2.gz WSQCFVHIKGUOCV-LLVKDONJSA-N 1 0 315.333 1.214 20 5 DDBDRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNc1cccnc1[N+](=O)[O-] ZINC000608779269 360241238 /nfs/dbraw/zinc/24/12/38/360241238.db2.gz MUTWVFXAFSEGKP-CYBMUJFWSA-N 1 0 321.381 1.344 20 5 DDBDRO CC[N@@H+]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@@H]1C ZINC000611092426 360621109 /nfs/dbraw/zinc/62/11/09/360621109.db2.gz UESDFZPNADHCDF-ZDUSSCGKSA-N 1 0 320.393 1.868 20 5 DDBDRO CC[N@@H+]1CCN(CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000611091892 360621534 /nfs/dbraw/zinc/62/15/34/360621534.db2.gz BUTZGNGYRDEOGJ-ZDUSSCGKSA-N 1 0 320.393 1.868 20 5 DDBDRO C[N@@H+]1CCC[C@@H](NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000611148671 360638245 /nfs/dbraw/zinc/63/82/45/360638245.db2.gz RQSCMGDPGSUGAF-GFCCVEGCSA-N 1 0 316.361 1.829 20 5 DDBDRO C[C@H](NC(=O)[C@H]1C[N@@H+]2CCN1CCC2)c1cccc([N+](=O)[O-])c1 ZINC000611201350 360657600 /nfs/dbraw/zinc/65/76/00/360657600.db2.gz UAPCPWTVCHOIQV-SWLSCSKDSA-N 1 0 318.377 1.162 20 5 DDBDRO C[NH+](C)[C@H]1CCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000006145064 181316203 /nfs/dbraw/zinc/31/62/03/181316203.db2.gz USTOKTQUDFUVCW-LBPRGKRZSA-N 1 0 313.379 1.061 20 5 DDBDRO COc1cc(C(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cc([N+](=O)[O-])c1C ZINC000192466578 200882569 /nfs/dbraw/zinc/88/25/69/200882569.db2.gz DQBOYRMSWXKMNS-BETUJISGSA-N 1 0 319.361 1.545 20 5 DDBDRO Cc1cc(S(=O)(=O)N[C@H]2C[NH2+]CC[C@H]2C)ccc1[N+](=O)[O-] ZINC000193399620 201046846 /nfs/dbraw/zinc/04/68/46/201046846.db2.gz BRWZUZOFAIGWRS-SKDRFNHKSA-N 1 0 313.379 1.180 20 5 DDBDRO C[C@H]1CCNC(=O)[C@@H]1[NH2+]CCCOc1ccc([N+](=O)[O-])cc1 ZINC000193655855 201095105 /nfs/dbraw/zinc/09/51/05/201095105.db2.gz XQKKLIKVKXFZAC-SMDDNHRTSA-N 1 0 307.350 1.478 20 5 DDBDRO CC(C)[NH+]1CCC(NC(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000194316349 201201667 /nfs/dbraw/zinc/20/16/67/201201667.db2.gz XYEXOISUGADAMP-UHFFFAOYSA-N 1 0 309.370 1.170 20 5 DDBDRO CC(C)(C)[NH+]1CCC(NC(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000194356629 201209290 /nfs/dbraw/zinc/20/92/90/201209290.db2.gz JEEXAGRGNSKEHB-UHFFFAOYSA-N 1 0 323.397 1.561 20 5 DDBDRO Cc1nn(C)c(C(=O)NC2CC[NH+](CC(C)C)CC2)c1[N+](=O)[O-] ZINC000195061669 201333528 /nfs/dbraw/zinc/33/35/28/201333528.db2.gz UTCAGZZCCVWGAT-UHFFFAOYSA-N 1 0 323.397 1.487 20 5 DDBDRO COc1c(C(=O)N2CC[NH+]3CCC2CC3)cccc1[N+](=O)[O-] ZINC000619445473 364013132 /nfs/dbraw/zinc/01/31/32/364013132.db2.gz HEZLDWRCEXMVBJ-UHFFFAOYSA-N 1 0 305.334 1.524 20 5 DDBDRO Cc1cn(C[C@@H](O)C[N@@H+](C)Cc2ccccc2)nc1[N+](=O)[O-] ZINC000619525395 364048017 /nfs/dbraw/zinc/04/80/17/364048017.db2.gz NSEGZLAVJQVBDZ-AWEZNQCLSA-N 1 0 304.350 1.593 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000619522197 364048143 /nfs/dbraw/zinc/04/81/43/364048143.db2.gz JHXCNTKCSTWSNW-UHFFFAOYSA-N 1 0 308.382 1.972 20 5 DDBDRO C[C@@H](C(=O)NC[C@@](C)(O)CC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000566058841 304112699 /nfs/dbraw/zinc/11/26/99/304112699.db2.gz COOSRZFJMNKWLN-WBMJQRKESA-N 1 0 323.393 1.517 20 5 DDBDRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)CNc3ccccc3[N+](=O)[O-])C[C@H]12 ZINC000248637108 202754655 /nfs/dbraw/zinc/75/46/55/202754655.db2.gz QPEQOQVFNOSDTI-SDDRHHMPSA-N 1 0 304.350 1.202 20 5 DDBDRO CCC[C@H]1C[NH2+]CCN1C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000359218665 299360969 /nfs/dbraw/zinc/36/09/69/299360969.db2.gz OTKJTIRNNFBVBP-ZDUSSCGKSA-N 1 0 320.393 1.632 20 5 DDBDRO Cc1ccc(NCCCNC(=O)[C@H]2CC[NH2+][C@@H]2C)c([N+](=O)[O-])c1 ZINC000566185783 304125774 /nfs/dbraw/zinc/12/57/74/304125774.db2.gz SCEVGDDYLGCEGG-OLZOCXBDSA-N 1 0 320.393 1.819 20 5 DDBDRO O=C(NCc1ccccc1[N+](=O)[O-])N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000359224454 299364181 /nfs/dbraw/zinc/36/41/81/299364181.db2.gz IKCVZFYGXOTTEJ-LBPRGKRZSA-N 1 0 304.350 1.631 20 5 DDBDRO CO[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000275247725 212222607 /nfs/dbraw/zinc/22/26/07/212222607.db2.gz POHPZIQMRCCLIF-TZMCWYRMSA-N 1 0 307.350 1.741 20 5 DDBDRO CC(C)[N@H+](C)C[C@@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000349774434 284047832 /nfs/dbraw/zinc/04/78/32/284047832.db2.gz HXZPEWUNFFGMDS-SECBINFHSA-N 1 0 321.424 1.663 20 5 DDBDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000349876669 284090314 /nfs/dbraw/zinc/09/03/14/284090314.db2.gz RERGZJGAGNXRDF-NSHDSACASA-N 1 0 309.370 1.702 20 5 DDBDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000275109354 212125786 /nfs/dbraw/zinc/12/57/86/212125786.db2.gz FSUBJSPSFSLVOE-BXKDBHETSA-N 1 0 311.313 1.227 20 5 DDBDRO O=C(C[C@@H]1COCC[NH2+]1)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000262524312 203320693 /nfs/dbraw/zinc/32/06/93/203320693.db2.gz LCUHFOJCABTBML-SNVBAGLBSA-N 1 0 313.741 1.243 20 5 DDBDRO Cc1ccc(NCCCNC(=O)C[NH2+]CC2CC2)c([N+](=O)[O-])c1 ZINC000262655347 203366498 /nfs/dbraw/zinc/36/64/98/203366498.db2.gz YVSNZGUVLHKKLQ-UHFFFAOYSA-N 1 0 320.393 1.821 20 5 DDBDRO Cc1nn(CCC(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)c(C)c1[N+](=O)[O-] ZINC000262640781 203361253 /nfs/dbraw/zinc/36/12/53/203361253.db2.gz QMVVDMKXSGVZHZ-OLZOCXBDSA-N 1 0 321.381 1.151 20 5 DDBDRO COc1cc(C(=O)N[C@H]2CC[C@@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000093990861 193336141 /nfs/dbraw/zinc/33/61/41/193336141.db2.gz GNIZZEIONOBHAQ-NWDGAFQWSA-N 1 0 307.350 1.816 20 5 DDBDRO C[NH+](C)CCCCNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000264899276 204250368 /nfs/dbraw/zinc/25/03/68/204250368.db2.gz LCDOWPJKXLREOA-UHFFFAOYSA-N 1 0 305.338 1.543 20 5 DDBDRO NC(=O)[C@@H](Cc1ccccc1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000351340942 284320005 /nfs/dbraw/zinc/32/00/05/284320005.db2.gz PBKCMJSOMWSMTM-MRXNPFEDSA-N 1 0 313.357 1.824 20 5 DDBDRO CN(C[C@H]1CCC[N@H+](C)C1)c1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000266073821 205077066 /nfs/dbraw/zinc/07/70/66/205077066.db2.gz XMIBDSICGHPCCZ-NSHDSACASA-N 1 0 306.366 1.472 20 5 DDBDRO C[NH+]1C[C@@H]2CN(C(=O)C(C)(C)c3ccccc3[N+](=O)[O-])C[C@H]2C1 ZINC000351590022 284397719 /nfs/dbraw/zinc/39/77/19/284397719.db2.gz POQGOUMFMCDUNK-CHWSQXEVSA-N 1 0 317.389 1.892 20 5 DDBDRO CC(C)[C@H](CCO)[NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000274011495 211271712 /nfs/dbraw/zinc/27/17/12/211271712.db2.gz LUVRRVYQLQVSPY-RISCZKNCSA-N 1 0 309.366 1.918 20 5 DDBDRO CC1(C)[C@H](O)C[C@H]1[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000567352650 304213926 /nfs/dbraw/zinc/21/39/26/304213926.db2.gz JLAWXJDILVNDMY-LERXQTSPSA-N 1 0 310.350 1.084 20 5 DDBDRO NC(=O)c1ccc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000284795938 218180314 /nfs/dbraw/zinc/18/03/14/218180314.db2.gz OGZBJKJROSBOJF-HIFRSBDPSA-N 1 0 319.361 1.837 20 5 DDBDRO CCCc1n[nH]c(C(=O)NCC[N@H+](C)C2CCCC2)c1[N+](=O)[O-] ZINC000109628239 194278388 /nfs/dbraw/zinc/27/83/88/194278388.db2.gz CPRDEQXJKRMHTA-UHFFFAOYSA-N 1 0 323.397 1.875 20 5 DDBDRO CC(C)[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C[C@H](C)O ZINC000340792996 251215215 /nfs/dbraw/zinc/21/52/15/251215215.db2.gz RSKKZYYRHIROAK-GXTWGEPZSA-N 1 0 312.366 1.426 20 5 DDBDRO C[C@@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[NH2+]C1 ZINC000269193556 207311676 /nfs/dbraw/zinc/31/16/76/207311676.db2.gz KYARYOXBDWDNIM-NEPJUHHUSA-N 1 0 307.350 1.478 20 5 DDBDRO CO[C@@H]1[C@@H](C)[C@@H]([NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1(C)C ZINC000295936391 532976086 /nfs/dbraw/zinc/97/60/86/532976086.db2.gz IPFBYSKMJQZSTP-CUOATXAZSA-N 1 0 321.377 1.843 20 5 DDBDRO C[C@]1([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)CCO[C@H]1C1CC1 ZINC000273002521 210382373 /nfs/dbraw/zinc/38/23/73/210382373.db2.gz AJMYELNDAGXUFH-GJZGRUSLSA-N 1 0 307.350 1.304 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCC2(C)CC[NH+](C)CC2)n1 ZINC000286526883 219037264 /nfs/dbraw/zinc/03/72/64/219037264.db2.gz OPGKRIYJUJLNBG-UHFFFAOYSA-N 1 0 322.365 1.920 20 5 DDBDRO COCC(COC)[NH+]1CCN(c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000413468833 533100542 /nfs/dbraw/zinc/10/05/42/533100542.db2.gz DAPUVFZGYQIBLH-UHFFFAOYSA-N 1 0 323.393 1.687 20 5 DDBDRO O=[N+]([O-])c1cccnc1N1CC[NH+](CCC2CCOCC2)CC1 ZINC000298008081 285165575 /nfs/dbraw/zinc/16/55/75/285165575.db2.gz BWIRQWXJRFNINP-UHFFFAOYSA-N 1 0 320.393 1.929 20 5 DDBDRO C[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@H]1CCC[C@H]1O ZINC000352660156 285204809 /nfs/dbraw/zinc/20/48/09/285204809.db2.gz MUFZGFYNYZMIQM-LSDHHAIUSA-N 1 0 319.361 1.329 20 5 DDBDRO COc1ccc(NC(=O)C[N@H+](C)[C@@H]2CCC[C@@H]2O)c([N+](=O)[O-])c1 ZINC000352662262 285206329 /nfs/dbraw/zinc/20/63/29/285206329.db2.gz XZCYHPJLRHQGIV-OCCSQVGLSA-N 1 0 323.349 1.387 20 5 DDBDRO Nc1c(C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)cc(F)cc1[N+](=O)[O-] ZINC000289316807 220868768 /nfs/dbraw/zinc/86/87/68/220868768.db2.gz UGZFNFDSQWZXTR-MGCOHNPYSA-N 1 0 324.356 1.811 20 5 DDBDRO COC(=O)C(C)(C)C[NH2+][C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000151803882 196730138 /nfs/dbraw/zinc/73/01/38/196730138.db2.gz CBEHHQCCRLOHEE-SNVBAGLBSA-N 1 0 323.349 1.711 20 5 DDBDRO O=[N+]([O-])c1cnc(NCC2CC[NH+](CCO)CC2)c(Cl)c1 ZINC000122847652 195509855 /nfs/dbraw/zinc/50/98/55/195509855.db2.gz LMOUICJIIANDCC-UHFFFAOYSA-N 1 0 314.773 1.759 20 5 DDBDRO CO[C@@H]1CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000451578803 533416763 /nfs/dbraw/zinc/41/67/63/533416763.db2.gz XRDYSKLTIYLPEE-KCQAQPDRSA-N 1 0 324.377 1.691 20 5 DDBDRO Cn1nc([N+](=O)[O-])cc1C(=O)N(CC[NH+](C)C)c1ccccc1 ZINC000360798734 306988261 /nfs/dbraw/zinc/98/82/61/306988261.db2.gz FGMUYEYQTVOXFG-UHFFFAOYSA-N 1 0 317.349 1.537 20 5 DDBDRO Cc1n[nH]c(C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000299449226 533666134 /nfs/dbraw/zinc/66/61/34/533666134.db2.gz PWYPTCSQJRHULP-GHMZBOCLSA-N 1 0 323.397 1.724 20 5 DDBDRO C[C@@H]1CN(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC[C@@H]1[NH3+] ZINC000568371313 304288468 /nfs/dbraw/zinc/28/84/68/304288468.db2.gz WPGDFPYGMFTCLP-RISCZKNCSA-N 1 0 322.365 1.352 20 5 DDBDRO O=C(CC[NH2+]CCOCC1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000568619791 304302109 /nfs/dbraw/zinc/30/21/09/304302109.db2.gz HZGWKJRIVQGOKJ-UHFFFAOYSA-N 1 0 307.350 1.940 20 5 DDBDRO Cc1ccc(S(=O)(=O)N2CC[NH2+][C@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000262769104 292176065 /nfs/dbraw/zinc/17/60/65/292176065.db2.gz LTSXPNQECVUCPH-GHMZBOCLSA-N 1 0 313.379 1.274 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@](C)(C[NH3+])C1 ZINC000261655715 407569608 /nfs/dbraw/zinc/56/96/08/407569608.db2.gz FLHYGMCDNLYECA-OAHLLOKOSA-N 1 0 322.365 1.213 20 5 DDBDRO CC[NH+](CC)CCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000005597865 406735178 /nfs/dbraw/zinc/73/51/78/406735178.db2.gz QFJGEDURUSTVBL-UHFFFAOYSA-N 1 0 315.395 1.605 20 5 DDBDRO C[C@@H]1CCCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])[C@@H]1C[NH3+] ZINC000070177459 406812633 /nfs/dbraw/zinc/81/26/33/406812633.db2.gz QIGRYEMXKVRTBS-ZYHUDNBSSA-N 1 0 313.379 1.343 20 5 DDBDRO CC1CC[NH+](CCCNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC1 ZINC000028069362 406914930 /nfs/dbraw/zinc/91/49/30/406914930.db2.gz PYUQONQLAZEZCS-UHFFFAOYSA-N 1 0 322.365 1.135 20 5 DDBDRO CC[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1nccs1 ZINC000080277620 407070761 /nfs/dbraw/zinc/07/07/61/407070761.db2.gz WXVDSRJHUMFYJW-MNOVXSKESA-N 1 0 311.367 1.350 20 5 DDBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@@]2(O)CCOC2)cc1[N+](=O)[O-] ZINC000090848825 407171978 /nfs/dbraw/zinc/17/19/78/407171978.db2.gz RCOFEKXDVKGTHT-ABAIWWIYSA-N 1 0 310.350 1.796 20 5 DDBDRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000102332208 407321527 /nfs/dbraw/zinc/32/15/27/407321527.db2.gz VQGWXXKMWYQUGJ-GFCCVEGCSA-N 1 0 323.397 1.517 20 5 DDBDRO CC(C)OC[C@@H](O)C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000098066117 407304977 /nfs/dbraw/zinc/30/49/77/407304977.db2.gz JNVPOJYHZUGTHT-INIZCTEOSA-N 1 0 323.393 1.503 20 5 DDBDRO Cc1nn(C)c(C(=O)NCC[N@H+]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000098104765 407306023 /nfs/dbraw/zinc/30/60/23/407306023.db2.gz SYARJVSSKLPADA-SNVBAGLBSA-N 1 0 309.370 1.241 20 5 DDBDRO C[C@]1(O)CCC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000124480983 407359424 /nfs/dbraw/zinc/35/94/24/407359424.db2.gz DBZZVXKEZWXKQB-ZFWWWQNUSA-N 1 0 310.350 1.181 20 5 DDBDRO Cc1nn(CCC(=O)NC[C@H]2CCC[N@@H+](C)C2)c(C)c1[N+](=O)[O-] ZINC000108330944 407383807 /nfs/dbraw/zinc/38/38/07/407383807.db2.gz UECLASYXDNFCFX-CYBMUJFWSA-N 1 0 323.397 1.256 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000125199817 407381623 /nfs/dbraw/zinc/38/16/23/407381623.db2.gz HOQQGRHWQQLTBN-GFCCVEGCSA-N 1 0 321.381 1.276 20 5 DDBDRO Cc1c(C(=O)N[C@H]2CC[NH2+]C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000127133798 407428794 /nfs/dbraw/zinc/42/87/94/407428794.db2.gz VSRONWRSKCVQML-VIFPVBQESA-N 1 0 308.294 1.212 20 5 DDBDRO C[C@H]1C[C@@H](N(C)C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000127915936 407479730 /nfs/dbraw/zinc/47/97/30/407479730.db2.gz DMVIHVFDNNADGT-JQWIXIFHSA-N 1 0 306.366 1.732 20 5 DDBDRO COc1ccc(C(=O)N2CC[C@@H](OC)C[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000261626177 407557264 /nfs/dbraw/zinc/55/72/64/407557264.db2.gz CPAIBTKJWFMDIA-VXGBXAGGSA-N 1 0 323.349 1.182 20 5 DDBDRO CS[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2N)C[C@H]1[NH+](C)C ZINC000271205482 407574187 /nfs/dbraw/zinc/57/41/87/407574187.db2.gz XTYTZKXTXPGTFW-VXGBXAGGSA-N 1 0 324.406 1.295 20 5 DDBDRO CN(C(=O)CN1CC[C@H](C[NH+](C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000114479679 407579786 /nfs/dbraw/zinc/57/97/86/407579786.db2.gz JHSCVDJBIONJOE-CYBMUJFWSA-N 1 0 320.393 1.441 20 5 DDBDRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000261693764 407580194 /nfs/dbraw/zinc/58/01/94/407580194.db2.gz IUGYHNRMWCWOSX-DTWKUNHWSA-N 1 0 303.322 1.280 20 5 DDBDRO O=C(C[NH2+]CC1CC1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000261720503 407589982 /nfs/dbraw/zinc/58/99/82/407589982.db2.gz LUOWXKAGMPCLKX-UHFFFAOYSA-N 1 0 318.377 1.243 20 5 DDBDRO C[NH+](C)[C@@H]1CCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000170873626 407541698 /nfs/dbraw/zinc/54/16/98/407541698.db2.gz GFXIXIZRTAAJPI-CYBMUJFWSA-N 1 0 313.379 1.061 20 5 DDBDRO Cc1nn(C)c(C(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000128548215 407548608 /nfs/dbraw/zinc/54/86/08/407548608.db2.gz CLDIVELLORBZQE-QWRGUYRKSA-N 1 0 323.397 1.487 20 5 DDBDRO O=[N+]([O-])c1cc(C[NH2+]C2(CO)CCOCC2)ccc1Cl ZINC000227213924 407629257 /nfs/dbraw/zinc/62/92/57/407629257.db2.gz VVSKXAFJTDTYFH-UHFFFAOYSA-N 1 0 300.742 1.879 20 5 DDBDRO COc1ccc(CNC(=O)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000266785863 407633826 /nfs/dbraw/zinc/63/38/26/407633826.db2.gz BRDXEAPCPNTVFW-UHFFFAOYSA-N 1 0 307.350 1.561 20 5 DDBDRO C[C@@H]1CCCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H]1C[NH3+] ZINC000261915687 407669872 /nfs/dbraw/zinc/66/98/72/407669872.db2.gz GWQGCPYNBDTZJY-QMTHXVAHSA-N 1 0 306.366 1.253 20 5 DDBDRO Cc1cc(C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)ccc1[N+](=O)[O-] ZINC000261927290 407675749 /nfs/dbraw/zinc/67/57/49/407675749.db2.gz SKISYAOSPHKNLH-AWEZNQCLSA-N 1 0 318.377 1.023 20 5 DDBDRO C[NH2+]C[C@@H]1CCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])C1 ZINC000178992946 407686659 /nfs/dbraw/zinc/68/66/59/407686659.db2.gz FYDAWXNMGUXBKO-LBPRGKRZSA-N 1 0 306.366 1.099 20 5 DDBDRO C[NH2+]C[C@H]1CCCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000261950956 407687925 /nfs/dbraw/zinc/68/79/25/407687925.db2.gz MXZAAYRADVPSBV-LLVKDONJSA-N 1 0 306.366 1.125 20 5 DDBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000179066814 407711187 /nfs/dbraw/zinc/71/11/87/407711187.db2.gz RVKPMYNTENTNKA-JQWIXIFHSA-N 1 0 309.391 1.896 20 5 DDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)CC[NH+](C)C ZINC000267182395 407781276 /nfs/dbraw/zinc/78/12/76/407781276.db2.gz XQMIAJAMLJTKAU-UHFFFAOYSA-N 1 0 301.368 1.085 20 5 DDBDRO C[NH2+]C[C@@H](C)CNS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000237062822 407792030 /nfs/dbraw/zinc/79/20/30/407792030.db2.gz UGOFRURTVFZJSW-SECBINFHSA-N 1 0 301.368 1.037 20 5 DDBDRO C[NH2+]C[C@H](C)CNS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000237206800 407803555 /nfs/dbraw/zinc/80/35/55/407803555.db2.gz CWALDMPLRVZOMA-VIFPVBQESA-N 1 0 315.395 1.345 20 5 DDBDRO C[C@H]1CN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C[C@H](C)[NH2+]1 ZINC000153360564 407805282 /nfs/dbraw/zinc/80/52/82/407805282.db2.gz MMSRKZJIAGKNMF-IUCAKERBSA-N 1 0 303.322 1.294 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000237580799 407829154 /nfs/dbraw/zinc/82/91/54/407829154.db2.gz CPZSKHVYVQCMHT-CYBMUJFWSA-N 1 0 323.397 1.514 20 5 DDBDRO [NH3+]C[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000237969138 407860368 /nfs/dbraw/zinc/86/03/68/407860368.db2.gz OBNMBBYLBSDBNR-MRVPVSSYSA-N 1 0 305.381 1.158 20 5 DDBDRO [NH3+]C[C@@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000238065356 407881038 /nfs/dbraw/zinc/88/10/38/407881038.db2.gz GWNZSBMSSSCEAT-OAHLLOKOSA-N 1 0 321.377 1.997 20 5 DDBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000268135976 407906934 /nfs/dbraw/zinc/90/69/34/407906934.db2.gz CIGUGXFLKUAGKB-TVQRCGJNSA-N 1 0 304.350 1.390 20 5 DDBDRO O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CCC[NH2+]CC1 ZINC000237874264 407847535 /nfs/dbraw/zinc/84/75/35/407847535.db2.gz FTOFATQDITUXNY-UHFFFAOYSA-N 1 0 315.333 1.216 20 5 DDBDRO CN(CC1CC[NH+](C)CC1)C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000181041873 407949104 /nfs/dbraw/zinc/94/91/04/407949104.db2.gz RDHOGKWAYAVKKU-UHFFFAOYSA-N 1 0 306.366 1.591 20 5 DDBDRO CCCc1n[nH]c(C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000268245215 407968802 /nfs/dbraw/zinc/96/88/02/407968802.db2.gz VYBAKZSZCWKZTC-SKDRFNHKSA-N 1 0 321.381 1.483 20 5 DDBDRO CCC(CC)(C[NH3+])NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000154457542 408039288 /nfs/dbraw/zinc/03/92/88/408039288.db2.gz WZPIUOXJEBFQLY-UHFFFAOYSA-N 1 0 308.382 1.665 20 5 DDBDRO COC1(C)CC[NH+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000273260291 408127712 /nfs/dbraw/zinc/12/77/12/408127712.db2.gz ZFIXLVWVRUHKAJ-ZDUSSCGKSA-N 1 0 324.377 1.835 20 5 DDBDRO CC1(C)CN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000175431251 408131503 /nfs/dbraw/zinc/13/15/03/408131503.db2.gz MRCQSIOTHRKHOW-UHFFFAOYSA-N 1 0 320.393 1.997 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)CN2CC[NH+](CC3CC3)CC2)c1 ZINC000136963122 408133084 /nfs/dbraw/zinc/13/30/84/408133084.db2.gz MNJPXUZJHGSNNH-INIZCTEOSA-N 1 0 305.378 1.656 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000121206201 408164709 /nfs/dbraw/zinc/16/47/09/408164709.db2.gz LMOXTLVGWZTGPC-HZMBPMFUSA-N 1 0 306.366 1.710 20 5 DDBDRO C[C@@H]([NH3+])[C@H](C)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000182846097 408263181 /nfs/dbraw/zinc/26/31/81/408263181.db2.gz FBKIEEZEYRZMSW-NWDGAFQWSA-N 1 0 306.366 1.227 20 5 DDBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])c[nH]c3=O)CC[C@@H]21 ZINC000150969524 408234600 /nfs/dbraw/zinc/23/46/00/408234600.db2.gz TVIXZFJGYRUCQB-MFKMUULPSA-N 1 0 320.349 1.252 20 5 DDBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000269475176 408322427 /nfs/dbraw/zinc/32/24/27/408322427.db2.gz VADLOVBIBFEREC-SNVBAGLBSA-N 1 0 311.386 1.901 20 5 DDBDRO CC[N@@H+]1CC[C@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000134133632 162072570 /nfs/dbraw/zinc/07/25/70/162072570.db2.gz MNVLZXJKYFCIFL-LLVKDONJSA-N 1 0 309.341 1.734 20 5 DDBDRO C[C@H](O)C[N@@H+]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000246816987 408348085 /nfs/dbraw/zinc/34/80/85/408348085.db2.gz SIZUWVKBBFPGAA-OLZOCXBDSA-N 1 0 321.377 1.051 20 5 DDBDRO CN(CC[NH+](C)C)C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000176377444 408353102 /nfs/dbraw/zinc/35/31/02/408353102.db2.gz KIYILRFCSDBHQO-UHFFFAOYSA-N 1 0 317.349 1.414 20 5 DDBDRO Cc1nn(C)c(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)c1[N+](=O)[O-] ZINC000247318318 408448226 /nfs/dbraw/zinc/44/82/26/408448226.db2.gz MIJYZYZAUUQHTQ-KOLCDFICSA-N 1 0 309.370 1.095 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159282669 408398200 /nfs/dbraw/zinc/39/82/00/408398200.db2.gz FMTOZKIIVXVZPH-TXEJJXNPSA-N 1 0 318.377 1.627 20 5 DDBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])c[nH]c3=O)CC[C@H]21 ZINC000247045855 408398315 /nfs/dbraw/zinc/39/83/15/408398315.db2.gz TVIXZFJGYRUCQB-ZWNOBZJWSA-N 1 0 320.349 1.252 20 5 DDBDRO C[C@H](C[NH3+])NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000274454684 408414174 /nfs/dbraw/zinc/41/41/74/408414174.db2.gz TVLGSEFUSNEZAL-ZCFIWIBFSA-N 1 0 302.128 1.434 20 5 DDBDRO CCOC(=O)[C@](C)(O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000274667562 408489488 /nfs/dbraw/zinc/48/94/88/408489488.db2.gz RPJRIBKTIRXOBK-MRXNPFEDSA-N 1 0 322.361 1.873 20 5 DDBDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000176875072 408464240 /nfs/dbraw/zinc/46/42/40/408464240.db2.gz CCNVEFNKQAZBND-AWEZNQCLSA-N 1 0 309.366 1.681 20 5 DDBDRO C[C@@H]1C[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCS1 ZINC000248458030 408572093 /nfs/dbraw/zinc/57/20/93/408572093.db2.gz MRQHJUHRJATQIE-VXGBXAGGSA-N 1 0 312.391 1.772 20 5 DDBDRO COc1ccc(OCC[NH+]2CCC(C)(O)CC2)c([N+](=O)[O-])c1 ZINC000177305893 408576059 /nfs/dbraw/zinc/57/60/59/408576059.db2.gz LMFOIUTWIGKANF-UHFFFAOYSA-N 1 0 310.350 1.829 20 5 DDBDRO CCc1n[nH]c(C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000265202225 408577344 /nfs/dbraw/zinc/57/73/44/408577344.db2.gz REIWBFUYTHTKIP-JTQLQIEISA-N 1 0 309.370 1.294 20 5 DDBDRO CNC(=O)CCC[N@H+](C)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000184269860 408580973 /nfs/dbraw/zinc/58/09/73/408580973.db2.gz VFVKJWINLGQFTK-UHFFFAOYSA-N 1 0 313.329 1.701 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000161326202 408586083 /nfs/dbraw/zinc/58/60/83/408586083.db2.gz YBWANSIEBUSDRG-UHFFFAOYSA-N 1 0 323.397 1.713 20 5 DDBDRO CC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000192660940 408626870 /nfs/dbraw/zinc/62/68/70/408626870.db2.gz VDCMCLVLVQQJEK-LLVKDONJSA-N 1 0 313.379 1.357 20 5 DDBDRO C[C@H]1CCC[C@](CNC(=O)c2nn(C)cc2[N+](=O)[O-])([NH+](C)C)C1 ZINC000270740476 408660488 /nfs/dbraw/zinc/66/04/88/408660488.db2.gz GADWZSZLFYXBCN-NHYWBVRUSA-N 1 0 323.397 1.569 20 5 DDBDRO CC[C@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@H]1O ZINC000270900179 408732925 /nfs/dbraw/zinc/73/29/25/408732925.db2.gz MKEAOHQIRUNWSD-SWLSCSKDSA-N 1 0 321.377 1.935 20 5 DDBDRO O=[N+]([O-])c1ccc(C[N@H+](CCN2CCOCC2)C2CC2)cc1 ZINC000270915053 408740383 /nfs/dbraw/zinc/74/03/83/408740383.db2.gz QTHFYORETAJAAB-UHFFFAOYSA-N 1 0 305.378 1.891 20 5 DDBDRO CC[C@@H]1C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H]1O ZINC000270840117 408703112 /nfs/dbraw/zinc/70/31/12/408703112.db2.gz DXEKGTVXRFHTLQ-OSAQELSMSA-N 1 0 310.350 1.037 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(N(C)CC2CC[NH+](C[C@@H](C)O)CC2)n1 ZINC000178213957 408787928 /nfs/dbraw/zinc/78/79/28/408787928.db2.gz KIFXRRBEBVPUNB-CYBMUJFWSA-N 1 0 322.409 1.827 20 5 DDBDRO Cc1nn(C)c(C(=O)N[C@@H](C)C[NH+]2CCCCCC2)c1[N+](=O)[O-] ZINC000185429914 408806802 /nfs/dbraw/zinc/80/68/02/408806802.db2.gz YGTCLSPGGGEENU-NSHDSACASA-N 1 0 323.397 1.631 20 5 DDBDRO C[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C[C@@H]1CCOC1 ZINC000178350474 408810451 /nfs/dbraw/zinc/81/04/51/408810451.db2.gz KUARZKSILNRHRI-NSHDSACASA-N 1 0 308.334 1.930 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000185067591 408750346 /nfs/dbraw/zinc/75/03/46/408750346.db2.gz DODRPVZYDNLFRH-BIMULSAOSA-N 1 0 305.334 1.413 20 5 DDBDRO NC(=O)NC(=O)CCC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000177999048 408754928 /nfs/dbraw/zinc/75/49/28/408754928.db2.gz WXGRLVOESCHOPZ-UHFFFAOYSA-N 1 0 320.349 1.534 20 5 DDBDRO C[NH+]1CCC(O)(CNC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000265754609 408770756 /nfs/dbraw/zinc/77/07/56/408770756.db2.gz GIOUFJQCDBMQOH-UHFFFAOYSA-N 1 0 308.338 1.173 20 5 DDBDRO C[C@@H]1CN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCC1=O ZINC000276528134 408876744 /nfs/dbraw/zinc/87/67/44/408876744.db2.gz HGKZHIPOOFGODP-VXGBXAGGSA-N 1 0 308.334 1.245 20 5 DDBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000285886605 408882800 /nfs/dbraw/zinc/88/28/00/408882800.db2.gz CFUHBZRANWRYOX-ZETOZRRWSA-N 1 0 307.350 1.476 20 5 DDBDRO CN(CCC[NH+]1CCCC1)C(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000281719023 408916177 /nfs/dbraw/zinc/91/61/77/408916177.db2.gz NIHKGGRHTPIABL-UHFFFAOYSA-N 1 0 324.356 1.874 20 5 DDBDRO COc1ccc(OCCN2CCCN(C)C(=O)C2)c([N+](=O)[O-])c1 ZINC000191147643 163175652 /nfs/dbraw/zinc/17/56/52/163175652.db2.gz MXSNUUVFQLLTAO-UHFFFAOYSA-N 1 0 323.349 1.146 20 5 DDBDRO CO[C@H](C)[C@H](C)[NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000191715189 163199218 /nfs/dbraw/zinc/19/92/18/163199218.db2.gz DUVLAODOPVRKNJ-WDMOLILDSA-N 1 0 307.350 1.713 20 5 DDBDRO CCOc1ccc(C(=O)N2C[C@H](C)[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC000236903403 163365992 /nfs/dbraw/zinc/36/59/92/163365992.db2.gz SZCLCAYXTZHWTQ-WDEREUQCSA-N 1 0 307.350 1.816 20 5 DDBDRO C[C@@H](c1ccccc1)[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)C(N)=O ZINC000292212649 409002369 /nfs/dbraw/zinc/00/23/69/409002369.db2.gz ONGKGDPNQNNWBJ-FZMZJTMJSA-N 1 0 317.349 1.039 20 5 DDBDRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000277743593 409003168 /nfs/dbraw/zinc/00/31/68/409003168.db2.gz YHHUWGIOAXKKNV-GXFFZTMASA-N 1 0 306.366 1.389 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cccc([O-])c3[N+](=O)[O-])[C@H]2C1 ZINC000286397615 408977018 /nfs/dbraw/zinc/97/70/18/408977018.db2.gz NMNACGXAJQERBM-PWSUYJOCSA-N 1 0 305.334 1.467 20 5 DDBDRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNc1c(F)cccc1[N+](=O)[O-] ZINC000286410665 408980757 /nfs/dbraw/zinc/98/07/57/408980757.db2.gz ASKCDFXAJYSORA-LBPRGKRZSA-N 1 0 310.329 1.486 20 5 DDBDRO CC[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCNC1=O ZINC000282178777 409006257 /nfs/dbraw/zinc/00/62/57/409006257.db2.gz VPHUGUMMVZRXPQ-CYBMUJFWSA-N 1 0 320.349 1.134 20 5 DDBDRO Cc1nc(N2CCC[C@H](C[NH+]3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000282250185 409019656 /nfs/dbraw/zinc/01/96/56/409019656.db2.gz MUXHIEQKMIUMMO-CQSZACIVSA-N 1 0 320.393 1.847 20 5 DDBDRO CC(C)(O)C1C[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000282352068 409038778 /nfs/dbraw/zinc/03/87/78/409038778.db2.gz ARVLYXAJJIIPFT-UHFFFAOYSA-N 1 0 307.350 1.626 20 5 DDBDRO C[C@H]([NH2+][C@H]1CCOC[C@H]1C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000278017605 409051307 /nfs/dbraw/zinc/05/13/07/409051307.db2.gz WFLGHYFZXJEHGE-SUNKGSAMSA-N 1 0 307.350 1.936 20 5 DDBDRO Cc1cc(C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)c(N)c([N+](=O)[O-])c1 ZINC000293244658 409074806 /nfs/dbraw/zinc/07/48/06/409074806.db2.gz FLLXOTCJASZQNK-JQWIXIFHSA-N 1 0 304.350 1.309 20 5 DDBDRO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000279281720 409184209 /nfs/dbraw/zinc/18/42/09/409184209.db2.gz WWTQROIHFVCQPC-CHWSQXEVSA-N 1 0 322.340 1.673 20 5 DDBDRO CC(C)N(CCOCCO)Cc1ccc([N+](=O)[O-])cc1F ZINC000283815817 409221991 /nfs/dbraw/zinc/22/19/91/409221991.db2.gz YHWMJAHHJNMYFB-UHFFFAOYSA-N 1 0 300.330 1.953 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000289234301 409236446 /nfs/dbraw/zinc/23/64/46/409236446.db2.gz MGABSNSXJYLNJT-MRXNPFEDSA-N 1 0 319.361 1.576 20 5 DDBDRO Cc1cc(C(=O)N2CC[C@H]3OCCN(C)[C@@H]3C2)cc([N+](=O)[O-])c1 ZINC000283966753 409248298 /nfs/dbraw/zinc/24/82/98/409248298.db2.gz GTPQJUROOYQHRS-HUUCEWRRSA-N 1 0 319.361 1.448 20 5 DDBDRO O=C(COc1ccccc1[N+](=O)[O-])N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000290048481 409293147 /nfs/dbraw/zinc/29/31/47/409293147.db2.gz HAVQTWIMSBNWFH-RYUDHWBXSA-N 1 0 305.334 1.042 20 5 DDBDRO Cc1cc(C(=O)N2CC[C@@H]([N@H+](C)CCO)[C@H]2C)cc([N+](=O)[O-])c1 ZINC000294751899 409299159 /nfs/dbraw/zinc/29/91/59/409299159.db2.gz WGFNAKCMSHEELS-IUODEOHRSA-N 1 0 321.377 1.430 20 5 DDBDRO CC[C@H]([NH3+])CNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000295211675 409376041 /nfs/dbraw/zinc/37/60/41/409376041.db2.gz LRFDTRZYKKPLEQ-JTQLQIEISA-N 1 0 303.322 1.248 20 5 DDBDRO C[C@@H](CNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)C[NH+](C)C ZINC000295216165 409379615 /nfs/dbraw/zinc/37/96/15/409379615.db2.gz AMRMMPAGCXCORQ-LBPRGKRZSA-N 1 0 321.377 1.872 20 5 DDBDRO CNC(=O)[C@]1(C)CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000280497853 409330971 /nfs/dbraw/zinc/33/09/71/409330971.db2.gz BAQXHSBFIMSXJI-OAHLLOKOSA-N 1 0 307.350 1.432 20 5 DDBDRO CCO[C@H]1C[C@]([NH3+])(C(=O)NCc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000186737243 306718109 /nfs/dbraw/zinc/71/81/09/306718109.db2.gz XGXWQVJTABIEHT-BBRMVZONSA-N 1 0 321.377 1.744 20 5 DDBDRO COC(=O)c1cc(C)nc(NC[C@@H](C2CC2)[NH+](C)C)c1[N+](=O)[O-] ZINC000342003279 409534084 /nfs/dbraw/zinc/53/40/84/409534084.db2.gz HKPBRIJKNOHXTB-LBPRGKRZSA-N 1 0 322.365 1.837 20 5 DDBDRO CN(C(=O)c1ccc([N+](=O)[O-])n1C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000342479650 409666670 /nfs/dbraw/zinc/66/66/70/409666670.db2.gz DYPLGCKOZQPGHF-FOSCPWQOSA-N 1 0 306.366 1.631 20 5 DDBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1ccc([N+](=O)[O-])n1C ZINC000346142387 409819666 /nfs/dbraw/zinc/81/96/66/409819666.db2.gz XYLHAEYFOCHILB-RYUDHWBXSA-N 1 0 306.366 1.632 20 5 DDBDRO Cc1c(NC(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000332189682 409962434 /nfs/dbraw/zinc/96/24/34/409962434.db2.gz GBYYQYXKENEESB-VXGBXAGGSA-N 1 0 304.350 1.976 20 5 DDBDRO CC(C)[N@H+](C)CCNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000338428309 409982283 /nfs/dbraw/zinc/98/22/83/409982283.db2.gz XYLUGPQHBBTCBT-UHFFFAOYSA-N 1 0 305.338 1.541 20 5 DDBDRO C[C@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)[C@H]1CCOC1 ZINC000332169451 409944166 /nfs/dbraw/zinc/94/41/66/409944166.db2.gz VRDCMETYJMCMBY-HUBLWGQQSA-N 1 0 319.361 1.715 20 5 DDBDRO Cc1cc(NC(=O)C(=O)NCC(C)(C)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000297776153 409994480 /nfs/dbraw/zinc/99/44/80/409994480.db2.gz GLXKOFPHYHVZMW-UHFFFAOYSA-N 1 0 322.365 1.298 20 5 DDBDRO CC[N@@H+]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2OC)CC1 ZINC000332337273 410076260 /nfs/dbraw/zinc/07/62/60/410076260.db2.gz QEUZKAIFJDCZCX-UHFFFAOYSA-N 1 0 307.350 1.771 20 5 DDBDRO C[C@H]1C[C@@H](Nc2nccc(C(N)=O)c2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000357513638 410078509 /nfs/dbraw/zinc/07/85/09/410078509.db2.gz NPRREUVXTCNYLQ-DTWKUNHWSA-N 1 0 305.338 1.126 20 5 DDBDRO CC[N@H+](CC(=O)NCCNc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000343099241 410141393 /nfs/dbraw/zinc/14/13/93/410141393.db2.gz NEPTZVJWPLOCNE-UHFFFAOYSA-N 1 0 306.366 1.607 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[N@H+](C)[C@@H](C(C)C)C2)n1 ZINC000343224017 410250355 /nfs/dbraw/zinc/25/03/55/410250355.db2.gz IDWNFSHMZGGLDR-CYBMUJFWSA-N 1 0 322.365 1.553 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1CN1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000355335628 410450868 /nfs/dbraw/zinc/45/08/68/410450868.db2.gz TYYMQOIXIOXHGC-ZDUSSCGKSA-N 1 0 307.398 1.492 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000355527582 410565866 /nfs/dbraw/zinc/56/58/66/410565866.db2.gz ZQQBZUGFKIWHTN-UHFFFAOYSA-N 1 0 304.350 1.680 20 5 DDBDRO CCn1nccc1CN(CCO)Cc1cccc([N+](=O)[O-])c1 ZINC000355475675 410537726 /nfs/dbraw/zinc/53/77/26/410537726.db2.gz RWZFQYNFFJGZQR-UHFFFAOYSA-N 1 0 304.350 1.806 20 5 DDBDRO CC[N@H+](C)CCNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000359045732 410545147 /nfs/dbraw/zinc/54/51/47/410545147.db2.gz WKTQNQXUGIQSDD-UHFFFAOYSA-N 1 0 317.292 1.878 20 5 DDBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000359442576 410664311 /nfs/dbraw/zinc/66/43/11/410664311.db2.gz SJTWSLGVEXPTBZ-GHMZBOCLSA-N 1 0 301.302 1.632 20 5 DDBDRO C[NH+](C)CC(C)(C)CNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000301084657 410652314 /nfs/dbraw/zinc/65/23/14/410652314.db2.gz LYDFSVKTHFAQPJ-UHFFFAOYSA-N 1 0 322.365 1.925 20 5 DDBDRO CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000352951122 410695384 /nfs/dbraw/zinc/69/53/84/410695384.db2.gz ZTXZXUZMOVLIDN-CABCVRRESA-N 1 0 303.362 1.868 20 5 DDBDRO C[C@H]1[C@H](NC(=O)NCCc2ccc([N+](=O)[O-])cc2)CCC[N@@H+]1C ZINC000343802149 410713129 /nfs/dbraw/zinc/71/31/29/410713129.db2.gz SORXJRVKRHHPSW-SWLSCSKDSA-N 1 0 320.393 1.919 20 5 DDBDRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)c1ccco1 ZINC000359554369 410727170 /nfs/dbraw/zinc/72/71/70/410727170.db2.gz IXPQKDSZFDGXOF-KOLCDFICSA-N 1 0 321.337 1.770 20 5 DDBDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000347885062 410773863 /nfs/dbraw/zinc/77/38/63/410773863.db2.gz ZKLRCVGHKBUSOF-TXEJJXNPSA-N 1 0 318.381 2.312 20 5 DDBDRO CN(C(=O)COc1cccc([N+](=O)[O-])c1)[C@H]1C[NH+]2CCC1CC2 ZINC000347946516 410809683 /nfs/dbraw/zinc/80/96/83/410809683.db2.gz KOLJFORNPLDTTI-HNNXBMFYSA-N 1 0 319.361 1.526 20 5 DDBDRO CO[C@@H]1C[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1OC ZINC000337471103 410812998 /nfs/dbraw/zinc/81/29/98/410812998.db2.gz PMXJPOIFQHZNMA-ZIAGYGMSSA-N 1 0 323.349 1.269 20 5 DDBDRO Cc1c(CC(=O)N2CC[N@@H+](C)[C@H](C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000330628562 410839649 /nfs/dbraw/zinc/83/96/49/410839649.db2.gz LSAIBLVRRMKWLC-OLZOCXBDSA-N 1 0 305.378 1.997 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@H]([NH+](C)C)[C@@H](C)C1 ZINC000330637734 410842479 /nfs/dbraw/zinc/84/24/79/410842479.db2.gz CLBSXVQOFNXLGQ-WFASDCNBSA-N 1 0 320.393 1.724 20 5 DDBDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3cc([N+](=O)[O-])cnc3N)C2)C1 ZINC000356279249 410941260 /nfs/dbraw/zinc/94/12/60/410941260.db2.gz LJWPDHMAVAXMJQ-OAHLLOKOSA-N 1 0 319.365 1.130 20 5 DDBDRO CN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@H](C[NH3+])C1CC1 ZINC000359871381 410925557 /nfs/dbraw/zinc/92/55/57/410925557.db2.gz GLRPFXRMBHMBPA-CYBMUJFWSA-N 1 0 317.349 1.814 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)n1 ZINC000331208543 411016687 /nfs/dbraw/zinc/01/66/87/411016687.db2.gz PVKWYRCXJZNDRV-LLVKDONJSA-N 1 0 309.370 1.225 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@H]2CCC[C@H]([C@@H]3CCOC3)C2)c1 ZINC000341413778 411044112 /nfs/dbraw/zinc/04/41/12/411044112.db2.gz YNNLZBAQFWWXNS-BFHYXJOUSA-N 1 0 308.382 1.976 20 5 DDBDRO CC1CCC(C)(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000580544335 422940275 /nfs/dbraw/zinc/94/02/75/422940275.db2.gz CMHANOPWQCKSQO-BLZCZZARSA-N 1 0 310.398 1.958 20 5 DDBDRO C[C@H]([NH3+])[C@@H]1CCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000132292375 196242353 /nfs/dbraw/zinc/24/23/53/196242353.db2.gz OXGZPSSHQHRJFX-CMPLNLGQSA-N 1 0 313.379 1.094 20 5 DDBDRO C[NH2+][C@@H]1CCCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000133302334 196329009 /nfs/dbraw/zinc/32/90/09/196329009.db2.gz GMFXBTUCVGSJEO-CYBMUJFWSA-N 1 0 318.377 1.993 20 5 DDBDRO C[C@@H](CO)[C@@H](C)[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000295769899 225214076 /nfs/dbraw/zinc/21/40/76/225214076.db2.gz PUCZKQHHYOAYLL-WDEREUQCSA-N 1 0 307.350 1.090 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1C[C@H](C)[NH2+]C[C@H]1C ZINC000417188110 225236733 /nfs/dbraw/zinc/23/67/33/225236733.db2.gz VLALHJLEJXCORB-WDEREUQCSA-N 1 0 322.365 1.495 20 5 DDBDRO Cc1c(CNC(=O)N[C@@H](CC[NH3+])C(F)F)cccc1[N+](=O)[O-] ZINC000418082554 225575724 /nfs/dbraw/zinc/57/57/24/225575724.db2.gz QLRSQUVVKOQRDF-JTQLQIEISA-N 1 0 316.308 1.685 20 5 DDBDRO COC[C@]1(C)CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000296695825 226133328 /nfs/dbraw/zinc/13/33/28/226133328.db2.gz METGVWBEINTYQI-XJKSGUPXSA-N 1 0 324.377 1.693 20 5 DDBDRO Cc1cc(S(=O)(=O)N[C@@H]2CC[C@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000420447851 226498979 /nfs/dbraw/zinc/49/89/79/226498979.db2.gz KDLIEMSEVGJRLO-WDEREUQCSA-N 1 0 313.379 1.309 20 5 DDBDRO C[NH+](C)C1CCC(NC(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000422014330 226844199 /nfs/dbraw/zinc/84/41/99/226844199.db2.gz YNJTUOZUXWECES-UHFFFAOYSA-N 1 0 306.366 1.780 20 5 DDBDRO Cc1ccnc(N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c1[N+](=O)[O-] ZINC000374234455 418509191 /nfs/dbraw/zinc/50/91/91/418509191.db2.gz OVLPXKULEALOJG-CHWSQXEVSA-N 1 0 306.366 1.334 20 5 DDBDRO CC[N@@H+]1CC[C@@H](N(C)c2nccc(C(N)=O)c2[N+](=O)[O-])[C@H](C)C1 ZINC000290814717 221943552 /nfs/dbraw/zinc/94/35/52/221943552.db2.gz RQZRQIRZHWGZRH-ZYHUDNBSSA-N 1 0 321.381 1.255 20 5 DDBDRO CNc1c(C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000360945987 418552304 /nfs/dbraw/zinc/55/23/04/418552304.db2.gz SUXNAGYZENRUNZ-GWCFXTLKSA-N 1 0 318.377 1.849 20 5 DDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@@H]1C[C@@H]1C1CC[NH2+]CC1 ZINC000361099689 418583387 /nfs/dbraw/zinc/58/33/87/418583387.db2.gz WPFCQEOASGKLJR-HUUCEWRRSA-N 1 0 303.362 1.642 20 5 DDBDRO C[C@H](NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)C(C)(C)C[NH+](C)C ZINC000193622468 222159602 /nfs/dbraw/zinc/15/96/02/222159602.db2.gz DPXFODDXQUKGQK-VIFPVBQESA-N 1 0 310.354 1.402 20 5 DDBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)NCc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000375025226 418590244 /nfs/dbraw/zinc/59/02/44/418590244.db2.gz YNFVPYGAQJSDTH-DZGCQCFKSA-N 1 0 318.377 1.830 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000367380337 418592251 /nfs/dbraw/zinc/59/22/51/418592251.db2.gz RUIMGZDIHSUAGY-UHFFFAOYSA-N 1 0 321.381 1.092 20 5 DDBDRO Cc1c(C(=O)Nc2ccn(CC[NH+](C)C)n2)cccc1[N+](=O)[O-] ZINC000338817384 418620986 /nfs/dbraw/zinc/62/09/86/418620986.db2.gz WHAMDIIFDZBIBA-UHFFFAOYSA-N 1 0 317.349 1.914 20 5 DDBDRO O=[N+]([O-])c1ccc(OC2CC[NH+]([C@@H]3COC[C@H]3O)CC2)cc1 ZINC000361312028 418623177 /nfs/dbraw/zinc/62/31/77/418623177.db2.gz ZWRCKILCHANRTF-HUUCEWRRSA-N 1 0 308.334 1.198 20 5 DDBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CC[C@@H](n3cncn3)C2)cc1 ZINC000375316546 418628237 /nfs/dbraw/zinc/62/82/37/418628237.db2.gz DRSMKMMDGJHUDN-CYBMUJFWSA-N 1 0 303.322 1.512 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H](O)C2(CC2)C1 ZINC000375311223 418628355 /nfs/dbraw/zinc/62/83/55/418628355.db2.gz VTVRYFFLLPZQHS-CQSZACIVSA-N 1 0 319.361 1.689 20 5 DDBDRO COC(=O)[C@]12CCC[C@@H]1C[N@H+](Cc1c([N+](=O)[O-])ncn1C)C2 ZINC000367796407 418635882 /nfs/dbraw/zinc/63/58/82/418635882.db2.gz RIMFLMHQOWPCCW-YGRLFVJLSA-N 1 0 308.338 1.103 20 5 DDBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N1CCC[N@H+](CCO)CC1 ZINC000367943790 418661712 /nfs/dbraw/zinc/66/17/12/418661712.db2.gz JARVTHOVAFIKDW-UHFFFAOYSA-N 1 0 307.350 1.302 20 5 DDBDRO NC(=O)C[C@H]1CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000367984789 418668988 /nfs/dbraw/zinc/66/89/88/418668988.db2.gz YWLSZLINJMBRJP-GFCCVEGCSA-N 1 0 307.350 1.561 20 5 DDBDRO C[C@H]1C[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@@H]1CO ZINC000362067896 418747887 /nfs/dbraw/zinc/74/78/87/418747887.db2.gz RHVBBMQRZZTPEB-CMPLNLGQSA-N 1 0 318.333 1.705 20 5 DDBDRO C[C@@H](C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000388800474 418748029 /nfs/dbraw/zinc/74/80/29/418748029.db2.gz JKLSETSGSSJIDI-WFASDCNBSA-N 1 0 304.350 1.546 20 5 DDBDRO C[C@H]([NH2+]Cc1ccc(C(N)=O)nc1)c1ccc([N+](=O)[O-])cc1 ZINC000361921473 418726358 /nfs/dbraw/zinc/72/63/58/418726358.db2.gz BHZCRMJAJCEALK-JTQLQIEISA-N 1 0 300.318 1.940 20 5 DDBDRO COc1cc(C(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)cc([N+](=O)[O-])c1C ZINC000422843662 227215008 /nfs/dbraw/zinc/21/50/08/227215008.db2.gz JDOWVIMNBPWJBF-BXKDBHETSA-N 1 0 307.350 1.721 20 5 DDBDRO Cc1cc(NC(=O)C(=O)N[C@@H](C)CC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000411199472 418879264 /nfs/dbraw/zinc/87/92/64/418879264.db2.gz ZQTATNQRBFAAFT-NSHDSACASA-N 1 0 322.365 1.298 20 5 DDBDRO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CCn2cncc2C1 ZINC000365689932 418893909 /nfs/dbraw/zinc/89/39/09/418893909.db2.gz VPIFVKUQHDVELD-UHFFFAOYSA-N 1 0 312.289 1.324 20 5 DDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@](O)(C2CC2)C1 ZINC000365840935 418915146 /nfs/dbraw/zinc/91/51/46/418915146.db2.gz XBJOLLCGFALCMQ-BDJLRTHQSA-N 1 0 319.361 1.769 20 5 DDBDRO C[C@H]1[NH2+]CCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)[C@@H]1C ZINC000417931719 419396509 /nfs/dbraw/zinc/39/65/09/419396509.db2.gz CERXWWVYFLVHCQ-VXGBXAGGSA-N 1 0 306.366 1.529 20 5 DDBDRO CC[C@@H]1C[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H](CC)O1 ZINC000420960104 419385271 /nfs/dbraw/zinc/38/52/71/419385271.db2.gz RCCAWLUXPIEGAV-MGPQQGTHSA-N 1 0 312.370 1.042 20 5 DDBDRO COC(=O)[C@@H]1CN([C@H](C)c2cccc([N+](=O)[O-])c2)CC[N@H+](C)C1 ZINC000411910616 419469362 /nfs/dbraw/zinc/46/93/62/419469362.db2.gz SLBXIWUVPZYWHL-OCCSQVGLSA-N 1 0 321.377 1.692 20 5 DDBDRO [NH3+][C@H](CNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CC1 ZINC000418080403 419517497 /nfs/dbraw/zinc/51/74/97/419517497.db2.gz CCLQIPGEYOTCEM-SNVBAGLBSA-N 1 0 318.337 1.008 20 5 DDBDRO CO[C@@](C)([C@H](C)[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CC1 ZINC000411961722 419524445 /nfs/dbraw/zinc/52/44/45/419524445.db2.gz ARYAVSIGVZATJT-QFYYESIMSA-N 1 0 321.377 1.987 20 5 DDBDRO C[C@H](Cn1cccn1)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000298481793 228572687 /nfs/dbraw/zinc/57/26/87/228572687.db2.gz GCOSNYAXIDPCFM-OCCSQVGLSA-N 1 0 320.349 1.209 20 5 DDBDRO Cc1nnc([C@@H]2CC[N@H+](CCOc3ccc([N+](=O)[O-])cc3)C2)[nH]1 ZINC000412023009 419568545 /nfs/dbraw/zinc/56/85/45/419568545.db2.gz BMFQKNTXCICOJY-GFCCVEGCSA-N 1 0 317.349 1.890 20 5 DDBDRO CC[NH2+]CCNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000418323482 419709410 /nfs/dbraw/zinc/70/94/10/419709410.db2.gz HZLXHGWYFOBVQC-UHFFFAOYSA-N 1 0 306.366 1.878 20 5 DDBDRO CC(C)[N@H+](C)CCNc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000427389768 419653274 /nfs/dbraw/zinc/65/32/74/419653274.db2.gz HDNWIFRADPAFRD-UHFFFAOYSA-N 1 0 305.338 2.397 20 5 DDBDRO CC(C)(NC(=O)N[C@@H]1CCC[NH2+]C1)c1ccccc1[N+](=O)[O-] ZINC000418379335 419758130 /nfs/dbraw/zinc/75/81/30/419758130.db2.gz IUAPELOYSDTLGD-LLVKDONJSA-N 1 0 306.366 1.881 20 5 DDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)s1 ZINC000427946450 419773241 /nfs/dbraw/zinc/77/32/41/419773241.db2.gz ORMWJILBIJDMIP-DTWKUNHWSA-N 1 0 317.392 1.029 20 5 DDBDRO [NH3+]CCCCNC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000418505931 419843429 /nfs/dbraw/zinc/84/34/29/419843429.db2.gz FLYJJBHYSZCHRX-UHFFFAOYSA-N 1 0 321.381 1.165 20 5 DDBDRO COc1cc(CN[C@@H]2CCC[NH2+][C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000414937448 419881329 /nfs/dbraw/zinc/88/13/29/419881329.db2.gz DODJWWFLBODSSN-ZYHUDNBSSA-N 1 0 309.366 1.842 20 5 DDBDRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000418609722 419899950 /nfs/dbraw/zinc/89/99/50/419899950.db2.gz DVYKQJRFPDQWLS-IAQYHMDHSA-N 1 0 318.377 1.661 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[NH2+][C@@H](C)[C@H]1C ZINC000436055215 229445054 /nfs/dbraw/zinc/44/50/54/229445054.db2.gz IZJJNKMTWICSDW-NWDGAFQWSA-N 1 0 306.366 1.524 20 5 DDBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCC[NH2+]1 ZINC000423229576 419990611 /nfs/dbraw/zinc/99/06/11/419990611.db2.gz BOQYPDNMVQMQED-DGCLKSJQSA-N 1 0 306.366 1.654 20 5 DDBDRO CO[C@H]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2C)[C@@H](C[NH3+])C1 ZINC000423497264 420062061 /nfs/dbraw/zinc/06/20/61/420062061.db2.gz GHUHVIAQJDJKLK-KGLIPLIRSA-N 1 0 321.377 1.410 20 5 DDBDRO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000415637122 420130660 /nfs/dbraw/zinc/13/06/60/420130660.db2.gz YWONGMIPAGPISP-VHSXEESVSA-N 1 0 308.313 1.807 20 5 DDBDRO COc1ccc(NC(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000415447324 420071330 /nfs/dbraw/zinc/07/13/30/420071330.db2.gz UGSXCQXZCSKBDD-WDEREUQCSA-N 1 0 320.349 1.677 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NCC1=CC[NH2+]CC1 ZINC000423539350 420076847 /nfs/dbraw/zinc/07/68/47/420076847.db2.gz BFWYWFRDRSZHJP-UHFFFAOYSA-N 1 0 305.334 1.643 20 5 DDBDRO Cc1ccc(NC(=O)C(=O)N(C)CC(C)(C)C[NH3+])cc1[N+](=O)[O-] ZINC000415485788 420085436 /nfs/dbraw/zinc/08/54/36/420085436.db2.gz QOZYELAVMLHWNT-UHFFFAOYSA-N 1 0 322.365 1.285 20 5 DDBDRO C[NH2+]C[C@H]1CCCN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000420295860 420189614 /nfs/dbraw/zinc/18/96/14/420189614.db2.gz WFQHSUDHXPGWIU-CQSZACIVSA-N 1 0 306.366 1.607 20 5 DDBDRO C[C@H]1CN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC[C@@H]1[NH3+] ZINC000430919993 420204624 /nfs/dbraw/zinc/20/46/24/420204624.db2.gz SRWMEWTUQRQIRG-GWCFXTLKSA-N 1 0 317.349 1.814 20 5 DDBDRO CCCN(CC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@H]1CC[NH2+]C1 ZINC000430939360 420214604 /nfs/dbraw/zinc/21/46/04/420214604.db2.gz LADRAZZHYPBXKW-AWEZNQCLSA-N 1 0 320.393 1.916 20 5 DDBDRO [NH3+]C[C@@H]1CCCC[C@H]1Nc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000420210386 420152124 /nfs/dbraw/zinc/15/21/24/420152124.db2.gz WFRQRJIXPGCAQF-WCQYABFASA-N 1 0 317.349 2.574 20 5 DDBDRO C[C@@]1(CNc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CCC[NH2+]C1 ZINC000420224404 420156138 /nfs/dbraw/zinc/15/61/38/420156138.db2.gz AQSVIBMKFDKRQO-OAHLLOKOSA-N 1 0 317.349 2.446 20 5 DDBDRO CN(C(=O)CN1CCC[C@@H](C[NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC000430615429 420158061 /nfs/dbraw/zinc/15/80/61/420158061.db2.gz BXDKBOKDMHSPSD-LBPRGKRZSA-N 1 0 306.366 1.228 20 5 DDBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](C[NH3+])C1 ZINC000430632662 420165169 /nfs/dbraw/zinc/16/51/69/420165169.db2.gz YYPGQPPJNQPLNU-RYUDHWBXSA-N 1 0 306.366 1.593 20 5 DDBDRO C[NH2+][C@H]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000420269203 420174970 /nfs/dbraw/zinc/17/49/70/420174970.db2.gz HOZFCPJCFDKDSG-VIFPVBQESA-N 1 0 312.757 1.480 20 5 DDBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[NH2+]C[C@](C)(F)C1 ZINC000420340453 420221128 /nfs/dbraw/zinc/22/11/28/420221128.db2.gz PHJKYMJDRJYQFN-NHYWBVRUSA-N 1 0 324.356 1.555 20 5 DDBDRO Cc1c(NC(=O)[C@H](C)N2CC[C@@H]([NH3+])[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000430953788 420222210 /nfs/dbraw/zinc/22/22/10/420222210.db2.gz ICXLOIUGAONZAX-WCFLWFBJSA-N 1 0 320.393 1.899 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@H]([NH3+])[C@@H]1C ZINC000420350971 420229206 /nfs/dbraw/zinc/22/92/06/420229206.db2.gz INTHJBMCXHVCDJ-JQWIXIFHSA-N 1 0 322.365 1.354 20 5 DDBDRO COc1ccc(OCCN[C@@H]2[C@H](C)CC[NH2+][C@H]2C)c([N+](=O)[O-])c1 ZINC000420364683 420239111 /nfs/dbraw/zinc/23/91/11/420239111.db2.gz KLBYWHVIRVIXEP-BFQNTYOBSA-N 1 0 323.393 1.958 20 5 DDBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000420375162 420245498 /nfs/dbraw/zinc/24/54/98/420245498.db2.gz SSIHHPBKSPFSLJ-JRPNMDOOSA-N 1 0 306.366 1.509 20 5 DDBDRO [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000423902402 420254519 /nfs/dbraw/zinc/25/45/19/420254519.db2.gz LZNCFHYMRRALDW-QWHCGFSZSA-N 1 0 309.370 1.205 20 5 DDBDRO CN(CC(=O)N[C@@H](C[NH3+])C(C)(C)C)c1ccccc1[N+](=O)[O-] ZINC000423962856 420285832 /nfs/dbraw/zinc/28/58/32/420285832.db2.gz VMPOVPIKWFGYKQ-ZDUSSCGKSA-N 1 0 308.382 1.521 20 5 DDBDRO C[C@H]1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C[C@@H]1C[NH3+] ZINC000424014632 420306792 /nfs/dbraw/zinc/30/67/92/420306792.db2.gz LUQRKTKIYNTXLS-UWVGGRQHSA-N 1 0 317.349 1.528 20 5 DDBDRO C[C@@H]1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)C[C@H]1C[NH3+] ZINC000424016180 420307531 /nfs/dbraw/zinc/30/75/31/420307531.db2.gz NPDJSFJAUUBPDM-VXGBXAGGSA-N 1 0 307.350 1.417 20 5 DDBDRO NC(=O)c1cccc([N+](=O)[O-])c1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000420590586 420325388 /nfs/dbraw/zinc/32/53/88/420325388.db2.gz VUFNGXOBNLBSIO-MNOVXSKESA-N 1 0 304.350 1.732 20 5 DDBDRO C[N@@H+]1CCCC12CCN(c1c(C(N)=O)cccc1[N+](=O)[O-])CC2 ZINC000420611918 420331068 /nfs/dbraw/zinc/33/10/68/420331068.db2.gz OCTJMDVKTRTKEZ-UHFFFAOYSA-N 1 0 318.377 1.758 20 5 DDBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000437754622 420423185 /nfs/dbraw/zinc/42/31/85/420423185.db2.gz DPIIPXIXXBXLIR-KGYLQXTDSA-N 1 0 322.365 1.247 20 5 DDBDRO Cc1ccc(NCCCNC(=O)N[C@@H](C)[C@@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000417715352 420459363 /nfs/dbraw/zinc/45/93/63/420459363.db2.gz JYSWCQMVDYEMQI-NEPJUHHUSA-N 1 0 323.397 1.740 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000450852615 420545375 /nfs/dbraw/zinc/54/53/75/420545375.db2.gz CYKWMOPOKZQZQM-CYZMBNFOSA-N 1 0 306.366 1.766 20 5 DDBDRO C[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)[C@H]1C[NH3+] ZINC000440412259 420574883 /nfs/dbraw/zinc/57/48/83/420574883.db2.gz KESPKXDKXNKXGH-IUCAKERBSA-N 1 0 319.408 1.404 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC[C@H](C)C[NH3+] ZINC000447254086 420767991 /nfs/dbraw/zinc/76/79/91/420767991.db2.gz FHOVEPRWKXGGKF-MRVPVSSYSA-N 1 0 301.368 1.085 20 5 DDBDRO Cn1cnc(CC[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)n1 ZINC000447588577 420783841 /nfs/dbraw/zinc/78/38/41/420783841.db2.gz VLZYHACXSZECMK-VXGBXAGGSA-N 1 0 319.369 1.236 20 5 DDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCS1(=O)=O ZINC000449189793 420965874 /nfs/dbraw/zinc/96/58/74/420965874.db2.gz MUKINCWSOLZKLK-AAEUAGOBSA-N 1 0 312.391 1.693 20 5 DDBDRO COc1ccc(C(=O)NC[C@H]2CCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000449642976 421043185 /nfs/dbraw/zinc/04/31/85/421043185.db2.gz YKNXWWQMXXOBJC-JQWIXIFHSA-N 1 0 307.350 1.851 20 5 DDBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000449662901 421050829 /nfs/dbraw/zinc/05/08/29/421050829.db2.gz HMKYMQDHEVZKKO-GFCCVEGCSA-N 1 0 313.304 1.641 20 5 DDBDRO COc1ccc(C[NH2+]C[C@H]2CCCCN2CCO)cc1[N+](=O)[O-] ZINC000449396792 421007788 /nfs/dbraw/zinc/00/77/88/421007788.db2.gz SOZNJCKAEMUJTM-CQSZACIVSA-N 1 0 323.393 1.540 20 5 DDBDRO CC1(C)COC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000449621976 421040427 /nfs/dbraw/zinc/04/04/27/421040427.db2.gz BSJFIDORJAQOSA-ZDUSSCGKSA-N 1 0 308.334 1.976 20 5 DDBDRO COc1ccc(OCC[N@@H+]2CC[C@@H](CO)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000488753104 421111369 /nfs/dbraw/zinc/11/13/69/421111369.db2.gz QHDPAOIMYJIDDM-RYUDHWBXSA-N 1 0 310.350 1.685 20 5 DDBDRO C[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@H](C)[N@H+]1CCO ZINC000456222376 421126221 /nfs/dbraw/zinc/12/62/21/421126221.db2.gz HLCBNTUVNFGJTE-BETUJISGSA-N 1 0 321.377 1.051 20 5 DDBDRO O=C(NC[C@H]1C[NH2+]CCCO1)c1ccc([N+](=O)[O-])cc1Cl ZINC000449704212 421064074 /nfs/dbraw/zinc/06/40/74/421064074.db2.gz HXJOFIVGKKLBDU-SNVBAGLBSA-N 1 0 313.741 1.357 20 5 DDBDRO [NH3+]C1(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000489884097 421178399 /nfs/dbraw/zinc/17/83/99/421178399.db2.gz PFDUPHNWMKRDMZ-UHFFFAOYSA-N 1 0 306.366 1.785 20 5 DDBDRO CC(=O)[C@](C)(O)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000450460520 421200442 /nfs/dbraw/zinc/20/04/42/421200442.db2.gz ONBXNXHGPQOAAR-MRXNPFEDSA-N 1 0 322.361 1.778 20 5 DDBDRO C[C@@H]1CC[N@H+](CCNC(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000524720013 421266838 /nfs/dbraw/zinc/26/68/38/421266838.db2.gz UQERUYDFQHVAER-GFCCVEGCSA-N 1 0 307.350 1.432 20 5 DDBDRO CC[C@H](C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000562450077 421369179 /nfs/dbraw/zinc/36/91/79/421369179.db2.gz GWHIGRMNAGMJFQ-CJNGLKHVSA-N 1 0 318.377 1.936 20 5 DDBDRO C[NH2+]C[C@H](C)CNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000562813048 421416714 /nfs/dbraw/zinc/41/67/14/421416714.db2.gz FZLGZBOPLAZYMB-NSHDSACASA-N 1 0 306.366 1.518 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCc2ccccc2Cl)c1 ZINC000515832328 421517888 /nfs/dbraw/zinc/51/78/88/421517888.db2.gz SBVJFQCCZIZLRL-ZDUSSCGKSA-N 1 0 324.768 1.638 20 5 DDBDRO CC(C)(C)OCC[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000515832519 421518645 /nfs/dbraw/zinc/51/86/45/421518645.db2.gz YZEAISUORQZZIH-CYBMUJFWSA-N 1 0 312.366 1.739 20 5 DDBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000563562123 421521988 /nfs/dbraw/zinc/52/19/88/421521988.db2.gz OOGUMCXYUYTDNL-LLVKDONJSA-N 1 0 314.292 1.391 20 5 DDBDRO C[C@H](C[C@H](C)[NH3+])NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000563127287 421459895 /nfs/dbraw/zinc/45/98/95/421459895.db2.gz YVQUODGCNYXPHR-WDEREUQCSA-N 1 0 315.395 1.183 20 5 DDBDRO O=C(CCn1cc([N+](=O)[O-])cn1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000515058823 421476644 /nfs/dbraw/zinc/47/66/44/421476644.db2.gz BWXMJKRIFFOIDZ-QWHCGFSZSA-N 1 0 321.381 1.030 20 5 DDBDRO C[N@H+](CCCNC(=O)c1c[nH]nc1[N+](=O)[O-])C1CCCCC1 ZINC000549156744 421495555 /nfs/dbraw/zinc/49/55/55/421495555.db2.gz LZNOFSXQFNCIJD-UHFFFAOYSA-N 1 0 309.370 1.702 20 5 DDBDRO CO[C@H](C)CC[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000515467033 421504887 /nfs/dbraw/zinc/50/48/87/421504887.db2.gz KLHQKZJBZIYOMK-LLVKDONJSA-N 1 0 316.379 1.383 20 5 DDBDRO CN1C(=O)CC[C@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1=O ZINC000563419154 421506558 /nfs/dbraw/zinc/50/65/58/421506558.db2.gz SXAFPUZMEGDBQZ-RYUDHWBXSA-N 1 0 303.318 1.319 20 5 DDBDRO C[C@@H]1CC[C@@H](C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)O1 ZINC000530443446 421600347 /nfs/dbraw/zinc/60/03/47/421600347.db2.gz DYRKYTWFBMHKPS-OCCSQVGLSA-N 1 0 306.366 1.679 20 5 DDBDRO CNc1ccc(C(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000519774099 421725934 /nfs/dbraw/zinc/72/59/34/421725934.db2.gz LZZFJMVXSARUJA-ZWNOBZJWSA-N 1 0 306.366 1.978 20 5 DDBDRO C[NH2+][C@H]1CCN(S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)C1 ZINC000571581428 421729135 /nfs/dbraw/zinc/72/91/35/421729135.db2.gz DKQOHAIWATXWMG-NSHDSACASA-N 1 0 313.379 1.194 20 5 DDBDRO Cn1c(C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC000520150300 421738471 /nfs/dbraw/zinc/73/84/71/421738471.db2.gz ANJHESBCKFPOCD-UHFFFAOYSA-N 1 0 308.382 1.880 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CCc1cscn1 ZINC000521611572 421794709 /nfs/dbraw/zinc/79/47/09/421794709.db2.gz FIVNRPLAGHRJBQ-LBPRGKRZSA-N 1 0 323.374 1.623 20 5 DDBDRO Cc1cncc(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000582057709 422098091 /nfs/dbraw/zinc/09/80/91/422098091.db2.gz BFOOXURVAVGTFS-OAHLLOKOSA-N 1 0 317.345 1.828 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C2CC(C(F)(F)F)C2)c1 ZINC000583689470 422213876 /nfs/dbraw/zinc/21/38/76/422213876.db2.gz SANXOMYIKVPFFK-KTOWXAHTSA-N 1 0 308.260 1.083 20 5 DDBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)c1ccnc(NC)c1[N+](=O)[O-] ZINC000594299359 422344366 /nfs/dbraw/zinc/34/43/66/422344366.db2.gz LAMJASPNAPGESS-LLVKDONJSA-N 1 0 321.381 1.636 20 5 DDBDRO O=c1ccc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c[nH]1 ZINC000602638714 422436173 /nfs/dbraw/zinc/43/61/73/422436173.db2.gz GINJTTTZQVHEQK-UHFFFAOYSA-N 1 0 303.322 1.729 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@H]1CCC[C@@H](O)C1 ZINC000578892425 422670709 /nfs/dbraw/zinc/67/07/09/422670709.db2.gz VDAXYXWGFPQSKM-BFHYXJOUSA-N 1 0 324.377 1.475 20 5 DDBDRO C[C@@H]1CCCN(C(=O)CNc2ccccc2[N+](=O)[O-])[C@@H]1C[NH3+] ZINC000237500151 263578898 /nfs/dbraw/zinc/57/88/98/263578898.db2.gz PMSRMDXEKXSURK-BXUZGUMPSA-N 1 0 306.366 1.593 20 5 DDBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCC[NH2+]C1 ZINC000423193935 533686105 /nfs/dbraw/zinc/68/61/05/533686105.db2.gz RCQRFWBUISWOOY-DGCLKSJQSA-N 1 0 306.366 1.654 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000323467070 271030852 /nfs/dbraw/zinc/03/08/52/271030852.db2.gz DQNDHLWVHGEYJL-CQSZACIVSA-N 1 0 314.345 1.550 20 5 DDBDRO CC[NH+](CC)C[C@H](C)NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000341691090 271172040 /nfs/dbraw/zinc/17/20/40/271172040.db2.gz BBXOTGUADMPNNG-JTQLQIEISA-N 1 0 319.365 1.931 20 5 DDBDRO CC(C)[N@H+](C[C@H](C)O)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000343511145 271788325 /nfs/dbraw/zinc/78/83/25/271788325.db2.gz NCZAJAZJKPNJRE-STQMWFEESA-N 1 0 312.366 1.426 20 5 DDBDRO CNS(=O)(=O)CC[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000344796065 272120390 /nfs/dbraw/zinc/12/03/90/272120390.db2.gz NSVRJDMUDLAKAL-FLIBITNWSA-N 1 0 313.379 1.137 20 5 DDBDRO C[C@H](CO)[N@@H+]1CCCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000346654073 272510620 /nfs/dbraw/zinc/51/06/20/272510620.db2.gz RFIDNXQITWUKML-GFCCVEGCSA-N 1 0 311.357 1.622 20 5 DDBDRO COC(=O)c1cnc(N(C)C[C@H]2CCC[N@@H+]2C)c([N+](=O)[O-])c1 ZINC000420643886 274008118 /nfs/dbraw/zinc/00/81/18/274008118.db2.gz XPYUJPGSWOFAHT-LLVKDONJSA-N 1 0 308.338 1.307 20 5 DDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1(CO)CCOCC1 ZINC000449204056 274231421 /nfs/dbraw/zinc/23/14/21/274231421.db2.gz LXBAHOYGHHTHHE-ZDUSSCGKSA-N 1 0 308.378 1.905 20 5 DDBDRO C[C@@H]1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C[C@H]1C[NH3+] ZINC000424014630 274299815 /nfs/dbraw/zinc/29/98/15/274299815.db2.gz LUQRKTKIYNTXLS-NXEZZACHSA-N 1 0 317.349 1.528 20 5 DDBDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1c1ncc([N+](=O)[O-])cn1 ZINC000278667843 274344847 /nfs/dbraw/zinc/34/48/47/274344847.db2.gz FVNKGXLQSHWPBB-LLVKDONJSA-N 1 0 307.354 1.074 20 5 DDBDRO C[C@@H]1CN(c2ncnc3cccc([N+](=O)[O-])c32)CC[N@@H+]1CCO ZINC000490064920 274371606 /nfs/dbraw/zinc/37/16/06/274371606.db2.gz VHUPFYGVTHPDDS-LLVKDONJSA-N 1 0 317.349 1.041 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CC2(C3(O)CCC3)CC2)c1 ZINC001120604151 782049616 /nfs/dbraw/zinc/04/96/16/782049616.db2.gz QLEKCHBVHZHGLH-CQSZACIVSA-N 1 0 306.362 1.913 20 5 DDBDRO CC[NH+]1CCC(N[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000266215331 276151859 /nfs/dbraw/zinc/15/18/59/276151859.db2.gz YPQLRUHZJROZGG-GFCCVEGCSA-N 1 0 320.393 1.996 20 5 DDBDRO CC[NH+]1CCN([C@H]2CCN(c3ccc(N)cc3[N+](=O)[O-])C2)CC1 ZINC000287222677 276201931 /nfs/dbraw/zinc/20/19/31/276201931.db2.gz ITYHSJKMISFBTO-AWEZNQCLSA-N 1 0 319.409 1.393 20 5 DDBDRO CC(=O)NCCC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447536301 277032067 /nfs/dbraw/zinc/03/20/67/277032067.db2.gz MHIGBQBOPYFTMG-QWHCGFSZSA-N 1 0 309.370 1.391 20 5 DDBDRO C[N@@H+]1CCCN(C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)CC1 ZINC000272631092 277049662 /nfs/dbraw/zinc/04/96/62/277049662.db2.gz ZXGTYGRMEDRXJM-UHFFFAOYSA-N 1 0 321.362 1.377 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H]2[NH2+]CCCC2(C)C)n1 ZINC000420235589 277437893 /nfs/dbraw/zinc/43/78/93/277437893.db2.gz CXGKJTHAPAYTPI-GFCCVEGCSA-N 1 0 322.365 1.967 20 5 DDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCS(=O)(=O)C1 ZINC000449164928 277594026 /nfs/dbraw/zinc/59/40/26/277594026.db2.gz RXWMUNHHIRDBJG-WCQYABFASA-N 1 0 312.391 1.693 20 5 DDBDRO CO[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2C)[C@H](C[NH3+])C1 ZINC000262327475 277654134 /nfs/dbraw/zinc/65/41/34/277654134.db2.gz SAFAHVQBDBSDQE-QWHCGFSZSA-N 1 0 307.350 1.482 20 5 DDBDRO COc1cc(C(=O)NC[C@@H]2CCC[NH2+]2)c([N+](=O)[O-])cc1OC ZINC000194755285 277799989 /nfs/dbraw/zinc/79/99/89/277799989.db2.gz UCJGCYJGHCTXPP-VIFPVBQESA-N 1 0 309.322 1.094 20 5 DDBDRO COc1cc(C(=O)NC[C@H]2CCC[NH2+]2)c([N+](=O)[O-])cc1OC ZINC000194755303 277800009 /nfs/dbraw/zinc/80/00/09/277800009.db2.gz UCJGCYJGHCTXPP-SECBINFHSA-N 1 0 309.322 1.094 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)N[C@H]2CC[C@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000330580616 278002766 /nfs/dbraw/zinc/00/27/66/278002766.db2.gz IRCGZNFWPUHIGG-UWVGGRQHSA-N 1 0 309.370 1.654 20 5 DDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C[NH3+])C2CC2)cc1OC ZINC000237050744 279948274 /nfs/dbraw/zinc/94/82/74/279948274.db2.gz RARRZCBTWZYKME-NSHDSACASA-N 1 0 323.349 1.469 20 5 DDBDRO Cc1cc(N[C@@H]2CC[S@](=O)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000340777953 280300241 /nfs/dbraw/zinc/30/02/41/280300241.db2.gz MKYCEQMBTZXCKQ-UZJPJQLHSA-N 1 0 305.359 1.806 20 5 DDBDRO Cc1cc(C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)ccc1[N+](=O)[O-] ZINC000261940023 280336554 /nfs/dbraw/zinc/33/65/54/280336554.db2.gz UQBUPQCTKQFAOZ-AWEZNQCLSA-N 1 0 318.377 1.023 20 5 DDBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)c3ccc(F)cc3[N+](=O)[O-])C[C@@H]21 ZINC000262101577 295309051 /nfs/dbraw/zinc/30/90/51/295309051.db2.gz IXGMCGCADXXFLA-JIMOISOXSA-N 1 0 307.325 1.933 20 5 DDBDRO Nc1c(C(=O)N2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000423955986 295344802 /nfs/dbraw/zinc/34/48/02/295344802.db2.gz AAZFLAAMYSQRKW-DGCLKSJQSA-N 1 0 318.377 1.781 20 5 DDBDRO Nc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000184379659 295371205 /nfs/dbraw/zinc/37/12/05/295371205.db2.gz DGVFQXJCGYBHLI-LLVKDONJSA-N 1 0 319.365 1.272 20 5 DDBDRO CN(CC1([NH+](C)C)CCC1)C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000354214613 298367426 /nfs/dbraw/zinc/36/74/26/298367426.db2.gz BNCICNPWLCEQBH-UHFFFAOYSA-N 1 0 323.397 1.469 20 5 DDBDRO C[C@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000063193850 298995565 /nfs/dbraw/zinc/99/55/65/298995565.db2.gz NXINKIYKZVQAEM-WDEREUQCSA-N 1 0 313.379 1.485 20 5 DDBDRO Cc1nn(CCC(=O)N[C@@H]2[C@H](C)CC[NH2+][C@H]2C)c(C)c1[N+](=O)[O-] ZINC000357292864 299003594 /nfs/dbraw/zinc/00/35/94/299003594.db2.gz GZIPJAHUIFKSCD-ISTVAULSSA-N 1 0 323.397 1.301 20 5 DDBDRO NC(=O)c1ccnc(N2CCC[C@@H]([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000357324432 299007668 /nfs/dbraw/zinc/00/76/68/299007668.db2.gz JHYDYJLLIKCTRK-LLVKDONJSA-N 1 0 319.365 1.153 20 5 DDBDRO C[C@H]1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000253177699 299987229 /nfs/dbraw/zinc/98/72/29/299987229.db2.gz BDKQAWZRDPVTRO-WDEREUQCSA-N 1 0 313.379 1.200 20 5 DDBDRO Cc1cc([N+](=O)[O-])cnc1N1CCCN(CC[NH+](C)C)CC1 ZINC000363001920 300197194 /nfs/dbraw/zinc/19/71/94/300197194.db2.gz WIGGZHQYKOEKCV-UHFFFAOYSA-N 1 0 307.398 1.372 20 5 DDBDRO Cc1cc(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc([N+](=O)[O-])c1 ZINC000363125568 300215394 /nfs/dbraw/zinc/21/53/94/300215394.db2.gz RFBOOHWYROVARE-UKRRQHHQSA-N 1 0 319.361 1.496 20 5 DDBDRO Cc1cc(C(=O)N2[C@@H]3CC[C@H]2C[C@@H]([NH3+])C3)c(N)c([N+](=O)[O-])c1 ZINC000364186734 300354647 /nfs/dbraw/zinc/35/46/47/300354647.db2.gz ZSCDICQUFXAILV-JGPRNRPPSA-N 1 0 304.350 1.580 20 5 DDBDRO CC[N@H+](CC(=O)N1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1)C1CC1 ZINC000364325931 300376771 /nfs/dbraw/zinc/37/67/71/300376771.db2.gz SJTXKJWATKGJJN-ZDUSSCGKSA-N 1 0 321.381 1.439 20 5 DDBDRO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCO[C@H]2C[NH2+]C[C@H]21 ZINC000368481199 301037766 /nfs/dbraw/zinc/03/77/66/301037766.db2.gz FDYNBKKMDNJHFT-NEPJUHHUSA-N 1 0 311.725 1.061 20 5 DDBDRO COc1cccc(NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1[N+](=O)[O-] ZINC000368486704 301038798 /nfs/dbraw/zinc/03/87/98/301038798.db2.gz OVOOCYZDYUSQDC-NEPJUHHUSA-N 1 0 307.350 1.879 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1CN1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000370044617 301264823 /nfs/dbraw/zinc/26/48/23/301264823.db2.gz FQRNQKQOVVRJCI-FRRDWIJNSA-N 1 0 305.382 1.244 20 5 DDBDRO C[C@@H]1CN(c2ncccc2[N+](=O)[O-])CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000371350441 301454198 /nfs/dbraw/zinc/45/41/98/301454198.db2.gz RZNLTGNBIGBKAX-KGLIPLIRSA-N 1 0 319.409 1.452 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC[C@H](C[NH3+])C1 ZINC000044528810 302043528 /nfs/dbraw/zinc/04/35/28/302043528.db2.gz IIVVOOBJYCCACE-LLVKDONJSA-N 1 0 313.379 1.263 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000235424793 302050302 /nfs/dbraw/zinc/05/03/02/302050302.db2.gz LYXHXMCKXNASLG-MNOVXSKESA-N 1 0 313.379 1.322 20 5 DDBDRO O=C(c1ccc([N+](=O)[O-])cn1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000377735591 302222708 /nfs/dbraw/zinc/22/27/08/302222708.db2.gz BGICCDGVQZAVCW-LBPRGKRZSA-N 1 0 304.350 1.452 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000420340609 302383073 /nfs/dbraw/zinc/38/30/73/302383073.db2.gz MVWMUHLIDVABFC-SWLSCSKDSA-N 1 0 318.377 1.526 20 5 DDBDRO C[C@H]1[C@@H]([NH3+])CCN1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000420357722 302384323 /nfs/dbraw/zinc/38/43/23/302384323.db2.gz SQZNVFDGZOGCNK-JQWIXIFHSA-N 1 0 320.349 1.314 20 5 DDBDRO CCc1ccc(S(=O)(=O)NCCC[NH2+]C)cc1[N+](=O)[O-] ZINC000517741576 302817747 /nfs/dbraw/zinc/81/77/47/302817747.db2.gz UBDXVLJFNRCRJE-UHFFFAOYSA-N 1 0 301.368 1.045 20 5 DDBDRO C[C@H](C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])N(C)C1CC1 ZINC000517922111 302820310 /nfs/dbraw/zinc/82/03/10/302820310.db2.gz FGBIFWXECUZDIO-OCCSQVGLSA-N 1 0 323.393 1.407 20 5 DDBDRO Cc1cc(C)c(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c(C)c1 ZINC000519540837 302839942 /nfs/dbraw/zinc/83/99/42/302839942.db2.gz NIBOPOZCGVZPPH-OAHLLOKOSA-N 1 0 318.377 1.867 20 5 DDBDRO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cn1)[N@@H+]1CCC[C@@H](C)C1 ZINC000532134260 303276132 /nfs/dbraw/zinc/27/61/32/303276132.db2.gz VLVVJCLGMXDMNM-NEPJUHHUSA-N 1 0 306.366 1.840 20 5 DDBDRO O=C(NCCC[NH+]1CCCCCC1)c1ccc([N+](=O)[O-])cn1 ZINC000532396980 303284931 /nfs/dbraw/zinc/28/49/31/303284931.db2.gz CZFYTAQTTSBTPV-UHFFFAOYSA-N 1 0 306.366 1.986 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C[C@@H]2CCCCO2)c1 ZINC000560859191 303827011 /nfs/dbraw/zinc/82/70/11/303827011.db2.gz ULZCLFHGZZRMMZ-ZFWWWQNUSA-N 1 0 310.350 1.493 20 5 DDBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@@H]1COCCO1)C1CC1 ZINC000358213347 306934422 /nfs/dbraw/zinc/93/44/22/306934422.db2.gz BQLIWKZNAUQYET-CABCVRRESA-N 1 0 306.362 1.921 20 5 DDBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1[C@H]2COC[C@H]21 ZINC000367689147 307102157 /nfs/dbraw/zinc/10/21/57/307102157.db2.gz OSHGITIMJCKBHU-QZKOUSHUSA-N 1 0 319.361 1.794 20 5 DDBDRO COc1cccc(N2CCC[N@H+](CC(C)(C)O)CC2)c1[N+](=O)[O-] ZINC000368713526 307108357 /nfs/dbraw/zinc/10/83/57/307108357.db2.gz WAUBUXFNUFMHMS-UHFFFAOYSA-N 1 0 323.393 1.886 20 5 DDBDRO C[C@]1(CNC(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])CC[N@H+](Cc2ccccc2)C1 ZINC000374279336 307205031 /nfs/dbraw/zinc/20/50/31/307205031.db2.gz VGJHKYJTWGZXBS-HLLBOEOZSA-N 1 0 317.389 1.680 20 5 DDBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000376561815 307247756 /nfs/dbraw/zinc/24/77/56/307247756.db2.gz JVNMMLWPZZGIOK-SMDDNHRTSA-N 1 0 304.350 1.689 20 5 DDBDRO CN1CC[NH2+]C[C@H]1CNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000394769583 307295673 /nfs/dbraw/zinc/29/56/73/307295673.db2.gz DYGYYRSHKXLTIC-JTQLQIEISA-N 1 0 318.299 1.929 20 5 DDBDRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC000548739584 307790761 /nfs/dbraw/zinc/79/07/61/307790761.db2.gz JJZNFXTYRBAOAV-QWRGUYRKSA-N 1 0 323.397 1.804 20 5 DDBDRO C[C@H]1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H](C)[C@H]1[NH3+] ZINC000568480968 308119383 /nfs/dbraw/zinc/11/93/83/308119383.db2.gz MIEDFWKKTMKZHW-FZNYLWTLSA-N 1 0 321.333 1.521 20 5 DDBDRO Cc1cncc(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000573712956 308250221 /nfs/dbraw/zinc/25/02/21/308250221.db2.gz NOUKOPNHDHEWTL-CQSZACIVSA-N 1 0 317.345 1.828 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CCC3(CCC[N@@H+]3C)CC2)n1 ZINC000575238285 308273859 /nfs/dbraw/zinc/27/38/59/308273859.db2.gz CQPNWUOVTPNQPL-UHFFFAOYSA-N 1 0 321.381 1.512 20 5 DDBDRO CCc1ccc(S(=O)(=O)N[C@H](C)CC[NH3+])cc1[N+](=O)[O-] ZINC000576226722 308298585 /nfs/dbraw/zinc/29/85/85/308298585.db2.gz SZMFFHZEFRSFNU-SECBINFHSA-N 1 0 301.368 1.173 20 5 DDBDRO O=C(CC[NH2+]C[C@H]1CC[C@@H](CO)O1)Nc1ccccc1[N+](=O)[O-] ZINC000576280223 308302984 /nfs/dbraw/zinc/30/29/84/308302984.db2.gz XSDLYILOHWTSIM-NEPJUHHUSA-N 1 0 323.349 1.053 20 5 DDBDRO CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000576610775 308327398 /nfs/dbraw/zinc/32/73/98/308327398.db2.gz PPCGYPSVCCBADJ-LLVKDONJSA-N 1 0 309.370 1.275 20 5 DDBDRO C[NH+](C)C[C@H](NC(=O)c1c[nH]nc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000579049052 308502950 /nfs/dbraw/zinc/50/29/50/308502950.db2.gz FVRLBTAHNFTVIE-LBPRGKRZSA-N 1 0 321.312 1.490 20 5 DDBDRO Cc1cccc2c1CC[C@@H]2[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000580184765 308585522 /nfs/dbraw/zinc/58/55/22/308585522.db2.gz SOJZQBANJGZDCX-BBRMVZONSA-N 1 0 316.361 1.738 20 5 DDBDRO CN(C)C(=O)CCC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000580184737 308585548 /nfs/dbraw/zinc/58/55/48/308585548.db2.gz REJZYABGUAJAEV-UHFFFAOYSA-N 1 0 322.365 1.381 20 5 DDBDRO CC(C)(CCC[NH3+])NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000580313051 308595133 /nfs/dbraw/zinc/59/51/33/308595133.db2.gz FDKSBFNTAJBBPN-UHFFFAOYSA-N 1 0 323.349 1.613 20 5 DDBDRO C[C@@H]([NH3+])[C@H](C)NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000381423082 325741577 /nfs/dbraw/zinc/74/15/77/325741577.db2.gz AXZWTPMDMQYXBR-RQJHMYQMSA-N 1 0 307.759 1.262 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CCOC(F)(F)F ZINC000582236592 325995371 /nfs/dbraw/zinc/99/53/71/325995371.db2.gz DKECQUQMBWAWAP-VIFPVBQESA-N 1 0 324.255 1.461 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000584172554 331853056 /nfs/dbraw/zinc/85/30/56/331853056.db2.gz VYAQFJWQHZKYMB-ZJUUUORDSA-N 1 0 308.338 1.084 20 5 DDBDRO C[C@@]1(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCCO1 ZINC000582901054 337212896 /nfs/dbraw/zinc/21/28/96/337212896.db2.gz XTJQTAZKHSLIPL-DOMZBBRYSA-N 1 0 310.350 1.493 20 5 DDBDRO COC(=O)c1cc(C(=O)N[C@H](C[NH3+])C(C)(C)C)cc([N+](=O)[O-])c1 ZINC000423962798 533741903 /nfs/dbraw/zinc/74/19/03/533741903.db2.gz VHRZQKOZUKZOKS-GFCCVEGCSA-N 1 0 323.349 1.485 20 5 DDBDRO Cc1c(CNC(=O)NC2CCC([NH3+])CC2)cccc1[N+](=O)[O-] ZINC000418079276 533856279 /nfs/dbraw/zinc/85/62/79/533856279.db2.gz KTECZLJQWOLSIM-UHFFFAOYSA-N 1 0 306.366 1.972 20 5 DDBDRO COc1cc(C[NH2+]C[C@]2(O)CCC[C@H]2C)c([N+](=O)[O-])cc1O ZINC000293009846 533887490 /nfs/dbraw/zinc/88/74/90/533887490.db2.gz NVIAFXMYTJEFJR-MEBBXXQBSA-N 1 0 310.350 1.950 20 5 DDBDRO C[C@@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C[NH+](C)C ZINC000292630606 534075615 /nfs/dbraw/zinc/07/56/15/534075615.db2.gz MRESALLRGHNWIY-JTQLQIEISA-N 1 0 301.368 1.071 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H]1CCOC[C@@H]1C ZINC000433179285 534338541 /nfs/dbraw/zinc/33/85/41/534338541.db2.gz WEUKLLXZUAUHFM-AAEUAGOBSA-N 1 0 307.350 1.856 20 5 DDBDRO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C[C@H](C)[NH2+]1 ZINC000422832547 534424779 /nfs/dbraw/zinc/42/47/79/534424779.db2.gz XXOMVRQBSYNTMP-PHIMTYICSA-N 1 0 314.345 1.965 20 5 DDBDRO [NH3+]C1CCC(NC(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000417234154 534557045 /nfs/dbraw/zinc/55/70/45/534557045.db2.gz PJZKGJZFPICBQJ-UHFFFAOYSA-N 1 0 306.366 1.706 20 5 DDBDRO COc1cc(C(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000156753811 522077450 /nfs/dbraw/zinc/07/74/50/522077450.db2.gz PTGJOZVMRKTMGP-GWCFXTLKSA-N 1 0 307.350 1.803 20 5 DDBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1COC[C@H]1O ZINC000295934513 534887745 /nfs/dbraw/zinc/88/77/45/534887745.db2.gz KZIZCKWLRDYPBH-YYWXWVFPSA-N 1 0 306.362 1.655 20 5 DDBDRO O=C(NCC1CC[NH+](CCO)CC1)Nc1cccc([N+](=O)[O-])c1 ZINC000111417366 527609991 /nfs/dbraw/zinc/60/99/91/527609991.db2.gz HHVKHWSNZVPVRI-UHFFFAOYSA-N 1 0 322.365 1.421 20 5 DDBDRO CC(C)C[C@H](C[NH3+])NC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000417239208 528510395 /nfs/dbraw/zinc/51/03/95/528510395.db2.gz ZXBFVBIROGUQLA-CYBMUJFWSA-N 1 0 308.382 1.810 20 5 DDBDRO CCCC[C@@H](C[NH3+])NC(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000417198633 528810055 /nfs/dbraw/zinc/81/00/55/528810055.db2.gz WKVIWWGESNLHJF-LBPRGKRZSA-N 1 0 324.381 1.920 20 5 DDBDRO CC1(C)C[NH2+]CC[C@H]1NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000449696136 529130138 /nfs/dbraw/zinc/13/01/38/529130138.db2.gz JSSOYJMYNWXGNN-CYBMUJFWSA-N 1 0 307.350 1.478 20 5 DDBDRO CC[C@@H]([NH2+]CCN1C(=O)N[C@@H](C)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000459392956 529164330 /nfs/dbraw/zinc/16/43/30/529164330.db2.gz XAHILMXUBKWYFG-GXFFZTMASA-N 1 0 320.349 1.576 20 5 DDBDRO COc1ccc(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)cc1[N+](=O)[O-] ZINC000307803238 536754811 /nfs/dbraw/zinc/75/48/11/536754811.db2.gz CBGDCXIGQDJGID-JTQLQIEISA-N 1 0 321.255 1.613 20 5 DDBDRO O=[N+]([O-])c1ccc(OCC[NH+]2CCC3(CC2)OCCO3)cc1 ZINC000065533308 696345275 /nfs/dbraw/zinc/34/52/75/696345275.db2.gz SRWGIRCHSLJVBK-UHFFFAOYSA-N 1 0 308.334 1.813 20 5 DDBDRO CC(C)(O)C[NH+]1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000153947599 696924198 /nfs/dbraw/zinc/92/41/98/696924198.db2.gz VJEXABZNMTXBKO-HNNXBMFYSA-N 1 0 323.393 1.017 20 5 DDBDRO C[C@H](CC[NH+](C)C)NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000157250552 696975561 /nfs/dbraw/zinc/97/55/61/696975561.db2.gz PLVBGPYVWGUFKY-SECBINFHSA-N 1 0 319.358 1.352 20 5 DDBDRO C[NH+](C)Cc1ccnc(NC(=O)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000176909750 697407398 /nfs/dbraw/zinc/40/73/98/697407398.db2.gz FMFFROYIFWUARB-UHFFFAOYSA-N 1 0 315.333 1.886 20 5 DDBDRO COC(=O)CC1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000749685227 700176670 /nfs/dbraw/zinc/17/66/70/700176670.db2.gz DHKKYOPTVSZHLJ-HNNXBMFYSA-N 1 0 322.361 1.903 20 5 DDBDRO CS[C@@H]1CC[C@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000235150175 697793104 /nfs/dbraw/zinc/79/31/04/697793104.db2.gz YWSGYEKHCXZCKI-MVWJERBFSA-N 1 0 300.384 1.026 20 5 DDBDRO C[N@H+](C[C@H]1CCOC1)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000749964874 700195225 /nfs/dbraw/zinc/19/52/25/700195225.db2.gz RIJQUABPNXJQET-GFCCVEGCSA-N 1 0 317.349 1.779 20 5 DDBDRO CNC(=O)C1CC[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776575981 698119765 /nfs/dbraw/zinc/11/97/65/698119765.db2.gz YDKLYKKKVPJRDO-CQSZACIVSA-N 1 0 307.350 1.086 20 5 DDBDRO CC(C)[C@H]1C(=O)NCCN1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776582215 698120890 /nfs/dbraw/zinc/12/08/90/698120890.db2.gz MIKLGYVDJMKZBP-KBPBESRZSA-N 1 0 307.350 1.085 20 5 DDBDRO CNC(=O)[C@@H]1CCCCN1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776582148 698121234 /nfs/dbraw/zinc/12/12/34/698121234.db2.gz RKFKOZGLDACWKR-UONOGXRCSA-N 1 0 307.350 1.229 20 5 DDBDRO O=C1CCCN1[C@@H]1CC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776596657 698124721 /nfs/dbraw/zinc/12/47/21/698124721.db2.gz HJOGIWSAIQDWNO-HUUCEWRRSA-N 1 0 319.361 1.325 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CC[C@@H](n3cncn3)C2)cc1 ZINC000776879242 698145233 /nfs/dbraw/zinc/14/52/33/698145233.db2.gz SKVWYKBZUYXXPZ-KGLIPLIRSA-N 1 0 303.322 1.167 20 5 DDBDRO COc1ccc(CN2CCN([C@@H]3CC[NH2+]C3)CC2)cc1[N+](=O)[O-] ZINC000261632226 698430052 /nfs/dbraw/zinc/43/00/52/698430052.db2.gz DFAYVQQFZNQBJL-CQSZACIVSA-N 1 0 320.393 1.083 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[C@H]1[NH+](C)C ZINC000779569635 698437942 /nfs/dbraw/zinc/43/79/42/698437942.db2.gz DMSMBCHEVDUJFY-UKRRQHHQSA-N 1 0 320.393 1.873 20 5 DDBDRO COC[C@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)OC ZINC000781426674 698618727 /nfs/dbraw/zinc/61/87/27/698618727.db2.gz LUOWWKRKVISCQZ-INIZCTEOSA-N 1 0 323.393 1.815 20 5 DDBDRO CS(=O)(=O)CCC[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783620127 698860285 /nfs/dbraw/zinc/86/02/85/698860285.db2.gz GPEGQVMXKDUEBY-UHFFFAOYSA-N 1 0 306.771 1.773 20 5 DDBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000786846006 699172753 /nfs/dbraw/zinc/17/27/53/699172753.db2.gz SIUALXVJNHTJGZ-NSHDSACASA-N 1 0 306.366 1.639 20 5 DDBDRO C[NH+](C)C[C@H](O)CNc1ccc([N+](=O)[O-])cc1Br ZINC000717400856 699288595 /nfs/dbraw/zinc/28/85/95/699288595.db2.gz GQEQWXZLLLCNKA-SECBINFHSA-N 1 0 318.171 1.692 20 5 DDBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1CC(C(N)=O)=NO1 ZINC000789562076 699396190 /nfs/dbraw/zinc/39/61/90/699396190.db2.gz UZOUHWBADHPVIY-ZQNFCJTASA-N 1 0 318.333 1.218 20 5 DDBDRO Cc1nn(CN2CC[C@H]([NH+]3CCCCC3)C2)c(C)c1[N+](=O)[O-] ZINC000730805688 699516288 /nfs/dbraw/zinc/51/62/88/699516288.db2.gz VRNYSZSZOXKDJC-AWEZNQCLSA-N 1 0 307.398 1.926 20 5 DDBDRO C[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1(CO)CCOCC1 ZINC000792409829 699695768 /nfs/dbraw/zinc/69/57/68/699695768.db2.gz QRHZVSKVOJLVKB-CQSZACIVSA-N 1 0 310.350 1.102 20 5 DDBDRO CCN(CCC[NH+](C)C)S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000795182677 699850426 /nfs/dbraw/zinc/85/04/26/699850426.db2.gz WUWMGFSTZZPIDD-UHFFFAOYSA-N 1 0 321.424 1.619 20 5 DDBDRO CC(C)([NH2+]CCOc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC1 ZINC000796578591 699940045 /nfs/dbraw/zinc/94/00/45/699940045.db2.gz CVMXFEPEMBXZND-UHFFFAOYSA-N 1 0 321.377 1.964 20 5 DDBDRO O=[N+]([O-])c1ccc(CN2CC[NH+](CCCCO)CC2)cc1F ZINC000801525751 700317466 /nfs/dbraw/zinc/31/74/66/700317466.db2.gz ZGXHUHCCSOQDLR-UHFFFAOYSA-N 1 0 311.357 1.624 20 5 DDBDRO C[NH+]1CCC(CNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1 ZINC000801868455 700348393 /nfs/dbraw/zinc/34/83/93/700348393.db2.gz UKQLDORNZMTXAO-UHFFFAOYSA-N 1 0 310.329 1.388 20 5 DDBDRO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CC=CCC1 ZINC000801972489 700361395 /nfs/dbraw/zinc/36/13/95/700361395.db2.gz RLBXLUJGEKIFFF-UHFFFAOYSA-N 1 0 308.313 1.308 20 5 DDBDRO CC(C)[N@@H+]1CCO[C@H](COC(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC000802140573 700372605 /nfs/dbraw/zinc/37/26/05/700372605.db2.gz KOQVTHRDOPPZEZ-LBPRGKRZSA-N 1 0 311.338 1.199 20 5 DDBDRO O=c1[nH]ccc2c1C[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000755208489 700556097 /nfs/dbraw/zinc/55/60/97/700556097.db2.gz XWKUGUKDHQKDKC-OAHLLOKOSA-N 1 0 315.329 1.787 20 5 DDBDRO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000762720662 700904668 /nfs/dbraw/zinc/90/46/68/700904668.db2.gz YPCWMVQWVDHTRT-HMWXGYMHSA-N 1 0 319.361 1.181 20 5 DDBDRO COCCN1CCC([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000765848608 701028785 /nfs/dbraw/zinc/02/87/85/701028785.db2.gz IOYQJDQNPCRNFM-MRXNPFEDSA-N 1 0 323.393 1.329 20 5 DDBDRO C[C@@H]1CN(C)[C@@H](C)CN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000768845676 701209310 /nfs/dbraw/zinc/20/93/10/701209310.db2.gz MWOLEGWUPHMAAY-VHSXEESVSA-N 1 0 322.321 1.668 20 5 DDBDRO COC(=O)[C@@]1(C)C[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000879133814 706595957 /nfs/dbraw/zinc/59/59/57/706595957.db2.gz JGSYVNZEKIQZKM-PJODQICGSA-N 1 0 322.361 1.759 20 5 DDBDRO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839747727 701808631 /nfs/dbraw/zinc/80/86/31/701808631.db2.gz DNOMXMNIDZOPBW-RBSFLKMASA-N 1 0 303.362 1.290 20 5 DDBDRO C[C@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)C1CC[NH2+]CC1 ZINC000868008382 701889065 /nfs/dbraw/zinc/88/90/65/701889065.db2.gz BGMNUQDSMGVZJL-NSHDSACASA-N 1 0 307.350 1.478 20 5 DDBDRO C[C@@H]([NH2+][C@@H](C)CCS(C)(=O)=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815588847 701900201 /nfs/dbraw/zinc/90/02/01/701900201.db2.gz AKRYVKPSUFBPOM-VHSXEESVSA-N 1 0 315.395 1.651 20 5 DDBDRO Cc1ccc(NC(=O)[C@@H]2CC2[N+](=O)[O-])c(OCC[NH+](C)C)c1 ZINC000840357556 702082190 /nfs/dbraw/zinc/08/21/90/702082190.db2.gz JQJCXRXXBAYCNS-DGCLKSJQSA-N 1 0 307.350 1.539 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)COc3ccccc3[N+](=O)[O-])C[C@@H]2C1 ZINC000812323627 702149592 /nfs/dbraw/zinc/14/95/92/702149592.db2.gz JHGPNSZLBHJVMJ-OLZOCXBDSA-N 1 0 319.361 1.384 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)n1 ZINC000866209053 706649243 /nfs/dbraw/zinc/64/92/43/706649243.db2.gz PBMVOPDXBBHGPZ-CMPLNLGQSA-N 1 0 320.349 1.307 20 5 DDBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CCS(=O)(=O)C1CC1 ZINC000840963624 702294911 /nfs/dbraw/zinc/29/49/11/702294911.db2.gz BBOYIHGHLMMUTQ-HYXAFXHYSA-N 1 0 310.375 1.775 20 5 DDBDRO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000841024394 702314561 /nfs/dbraw/zinc/31/45/61/702314561.db2.gz SNAQHXUZKQFKST-LUYZLQTOSA-N 1 0 315.373 1.795 20 5 DDBDRO CC(C)([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)[C@H]1CCCCO1 ZINC000879406946 706672349 /nfs/dbraw/zinc/67/23/49/706672349.db2.gz LAUTYCPJFWZCHP-CYBMUJFWSA-N 1 0 309.366 1.694 20 5 DDBDRO CN(C)c1cc(F)c(C(=O)OCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000814481985 702531895 /nfs/dbraw/zinc/53/18/95/702531895.db2.gz GXAAFPPSMODGBQ-UHFFFAOYSA-N 1 0 313.329 1.908 20 5 DDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000818000734 702548501 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DDBDRO COC(=O)[C@H]1C[NH2+]CCCN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000843382697 702870818 /nfs/dbraw/zinc/87/08/18/702870818.db2.gz AITJFPTUOWDAOS-CYBMUJFWSA-N 1 0 311.313 1.071 20 5 DDBDRO COc1ncncc1CN(CC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000843409905 702876126 /nfs/dbraw/zinc/87/61/26/702876126.db2.gz XLNLBSIFHNVNQP-UHFFFAOYSA-N 1 0 303.322 1.359 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CCC(C)([NH3+])CC2)cc1[N+](=O)[O-] ZINC000843467915 702888261 /nfs/dbraw/zinc/88/82/61/702888261.db2.gz LLMNEYMBSHUDPU-UHFFFAOYSA-N 1 0 322.321 1.765 20 5 DDBDRO C[NH+](C)CC[C@H](N)c1nc(-c2ccc(N)c([N+](=O)[O-])c2)no1 ZINC000844906031 703082839 /nfs/dbraw/zinc/08/28/39/703082839.db2.gz GMWLAKXEMBYUKC-JTQLQIEISA-N 1 0 306.326 1.179 20 5 DDBDRO C[C@@H]([NH2+]C[C@@]12COC(=O)N1CCOC2)c1ccc([N+](=O)[O-])cc1 ZINC000866519812 706719551 /nfs/dbraw/zinc/71/95/51/706719551.db2.gz WTBPJKOPTYDKGZ-IAQYHMDHSA-N 1 0 321.333 1.467 20 5 DDBDRO CNc1ccc(C(=O)NOC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000846647560 703307467 /nfs/dbraw/zinc/30/74/67/703307467.db2.gz VJVPBLZBOSLWPQ-UHFFFAOYSA-N 1 0 308.338 1.392 20 5 DDBDRO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000846743663 703326078 /nfs/dbraw/zinc/32/60/78/703326078.db2.gz RBLFBVZGNOPVPI-JQWIXIFHSA-N 1 0 317.349 1.283 20 5 DDBDRO Nc1ccc([N+](=O)[O-])c(N2CCC[C@@H]([NH+]3CCOCC3)CC2)c1 ZINC000848795007 703590496 /nfs/dbraw/zinc/59/04/96/703590496.db2.gz CMKCOWIBBZLOHO-CQSZACIVSA-N 1 0 320.393 1.868 20 5 DDBDRO O=[N+]([O-])c1ccc(C[NH2+]CC[S@@](=O)CC(F)(F)F)cc1 ZINC000850349629 703726221 /nfs/dbraw/zinc/72/62/21/703726221.db2.gz HWKNKRQGQDRXPL-HXUWFJFHSA-N 1 0 310.297 1.995 20 5 DDBDRO CO[C@H](C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000850484485 703733405 /nfs/dbraw/zinc/73/34/05/703733405.db2.gz JTLDKDORQVEHHP-ITDIGPHOSA-N 1 0 309.366 1.879 20 5 DDBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N[C@@H]1CC[NH2+]C1 ZINC000818561382 703926150 /nfs/dbraw/zinc/92/61/50/703926150.db2.gz CDYJKMQYUSRHRG-MRVPVSSYSA-N 1 0 301.705 1.408 20 5 DDBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)C[C@H]1CSCC[NH2+]1)CC2 ZINC000818608335 703938918 /nfs/dbraw/zinc/93/89/18/703938918.db2.gz AAUNXFISDSSUGZ-LBPRGKRZSA-N 1 0 321.402 1.887 20 5 DDBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](Cn3ccnn3)C2)cc1F ZINC000852313304 704007424 /nfs/dbraw/zinc/00/74/24/704007424.db2.gz GFOQTVRTBYHCGZ-LBPRGKRZSA-N 1 0 305.313 1.848 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC[C@H](Cn3ccnn3)C2)c1 ZINC000852314408 704008219 /nfs/dbraw/zinc/00/82/19/704008219.db2.gz SKLMQWZKHGTNQG-SWLSCSKDSA-N 1 0 317.349 1.242 20 5 DDBDRO C[C@@H](C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)Cn1cccn1 ZINC000818960801 704035513 /nfs/dbraw/zinc/03/55/13/704035513.db2.gz KVZPMSXPJSTHTQ-SWLSCSKDSA-N 1 0 304.350 1.751 20 5 DDBDRO CC(C)N1C[C@@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1=O ZINC000818996456 704047574 /nfs/dbraw/zinc/04/75/74/704047574.db2.gz QWKMTIONNIDEKF-JSGCOSHPSA-N 1 0 307.350 1.227 20 5 DDBDRO O=C1OCCN1[C@@H]1CCN(Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000852441554 704050285 /nfs/dbraw/zinc/05/02/85/704050285.db2.gz HARBRWHQMMCZTM-GFCCVEGCSA-N 1 0 309.297 1.760 20 5 DDBDRO O=C1CC[C@@H]2C[N@H+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)CC[C@H]2N1 ZINC000852495722 704062296 /nfs/dbraw/zinc/06/22/96/704062296.db2.gz MTMYJOHZMGXXQE-YUELXQCFSA-N 1 0 319.361 1.229 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H]2CCO[C@@]3(CCOC3)C2)cc1 ZINC000819203164 704085644 /nfs/dbraw/zinc/08/56/44/704085644.db2.gz GSNQNEPUNBWFOE-BMFZPTHFSA-N 1 0 322.361 1.556 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@@H]1CCC=CO1 ZINC000819246698 704094535 /nfs/dbraw/zinc/09/45/35/704094535.db2.gz OYPRVTNZXDOLSC-OLZOCXBDSA-N 1 0 308.334 1.617 20 5 DDBDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)c3cc([N+](=O)[O-])ccc3N)[C@@H]2C1 ZINC000819719170 704164538 /nfs/dbraw/zinc/16/45/38/704164538.db2.gz NNXCATRZNTWKPL-IINYFYTJSA-N 1 0 304.350 1.343 20 5 DDBDRO C[C@@]12COC[C@@H]1C[N@H+](Cn1ncc3ccc([N+](=O)[O-])cc31)C2 ZINC000853565928 704271723 /nfs/dbraw/zinc/27/17/23/704271723.db2.gz KQZQQFKFJRNRFM-SWLSCSKDSA-N 1 0 302.334 1.870 20 5 DDBDRO C[NH+](C)CCONC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000854945915 704463211 /nfs/dbraw/zinc/46/32/11/704463211.db2.gz VXWWLPBRDNDACR-UHFFFAOYSA-N 1 0 320.305 1.072 20 5 DDBDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000855163809 704471959 /nfs/dbraw/zinc/47/19/59/704471959.db2.gz GIXVDKDEPLLODO-LLVKDONJSA-N 1 0 306.366 1.780 20 5 DDBDRO C[C@@H](CC[NH3+])NC(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857765301 704622302 /nfs/dbraw/zinc/62/23/02/704622302.db2.gz OXPGDFMFISFVDN-QMMMGPOBSA-N 1 0 303.265 1.420 20 5 DDBDRO CC(C)(CC[NH3+])NC(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857766604 704622504 /nfs/dbraw/zinc/62/25/04/704622504.db2.gz QBJSQLMVLVYHLX-UHFFFAOYSA-N 1 0 317.292 1.810 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N(C)C(C)(C)C[NH+]1CCCC1 ZINC000822953194 705092379 /nfs/dbraw/zinc/09/23/79/705092379.db2.gz UHWRGLBCGBVXJV-UHFFFAOYSA-N 1 0 323.397 1.433 20 5 DDBDRO CC[N@@H+]1CCN(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000823975090 705348545 /nfs/dbraw/zinc/34/85/45/705348545.db2.gz ZTUHSIBGFWBXCX-JTQLQIEISA-N 1 0 307.354 1.735 20 5 DDBDRO COC(=O)C1=CC[C@H]([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000862466153 705720038 /nfs/dbraw/zinc/72/00/38/705720038.db2.gz OAQNPPQOELZZJS-LBPRGKRZSA-N 1 0 306.318 1.955 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)/C=C/[C@H]1CCC[NH2+]C1 ZINC000876611701 705783937 /nfs/dbraw/zinc/78/39/37/705783937.db2.gz OXGDCIUFPHPIBK-RPTYSRGTSA-N 1 0 319.361 1.775 20 5 DDBDRO Cn1cc(C[N@@H+]2CCC[C@H](c3ccnn3C)C2)c([N+](=O)[O-])n1 ZINC000876626864 705790369 /nfs/dbraw/zinc/79/03/69/705790369.db2.gz KRLJXMAGRFBONE-NSHDSACASA-N 1 0 304.354 1.441 20 5 DDBDRO O=C(/C=C/[C@@H]1CCC[NH2+]C1)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000876658522 705806209 /nfs/dbraw/zinc/80/62/09/705806209.db2.gz YCAIOOBIZBQPBI-UTPRNQHHSA-N 1 0 319.361 1.646 20 5 DDBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876702828 705827075 /nfs/dbraw/zinc/82/70/75/705827075.db2.gz FHMXUKWPOWIDKE-UFBFGSQYSA-N 1 0 315.732 1.812 20 5 DDBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@@H]1[C@H](C[NH3+])C1(F)F)CC2 ZINC000876905059 705917542 /nfs/dbraw/zinc/91/75/42/705917542.db2.gz OQQAOFRHJKFMLN-CABZTGNLSA-N 1 0 311.288 1.632 20 5 DDBDRO C[N@@H+]1CCC[C@H]1CNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000863506095 705945249 /nfs/dbraw/zinc/94/52/49/705945249.db2.gz XIEMTASGAXGOAJ-ZDUSSCGKSA-N 1 0 317.349 1.155 20 5 DDBDRO [NH3+]C[C@@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)C[C@@H]1C(F)(F)F ZINC000877369822 706083259 /nfs/dbraw/zinc/08/32/59/706083259.db2.gz OGHGBXWOEZLHOO-SFYZADRCSA-N 1 0 323.296 1.866 20 5 DDBDRO C[S@@](=O)CC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000827938732 706091066 /nfs/dbraw/zinc/09/10/66/706091066.db2.gz RKGAMLSZOJALFH-OAQYLSRUSA-N 1 0 312.391 1.817 20 5 DDBDRO CN(CC(=O)N[C@@]12CCC[C@H]1[NH2+]CC2)c1ccccc1[N+](=O)[O-] ZINC000877395555 706094090 /nfs/dbraw/zinc/09/40/90/706094090.db2.gz ZOSCNHKFENXIQZ-GDBMZVCRSA-N 1 0 318.377 1.432 20 5 DDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]Cc3cnc4n3CCCC4)C2)c1 ZINC000877507800 706127107 /nfs/dbraw/zinc/12/71/07/706127107.db2.gz LMTMFRRGTKETNZ-UHFFFAOYSA-N 1 0 316.365 1.817 20 5 DDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]CCO[C@H]3CC3(F)F)C2)c1 ZINC000877627868 706163587 /nfs/dbraw/zinc/16/35/87/706163587.db2.gz YBBCCNBOLQIPQT-AMUVOQDHSA-N 1 0 302.281 1.509 20 5 DDBDRO O=[N+]([O-])c1c(NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)nc2ccccn21 ZINC000829010288 706272840 /nfs/dbraw/zinc/27/28/40/706272840.db2.gz QBGPNGLFNWEZIV-TXEJJXNPSA-N 1 0 317.349 1.518 20 5 DDBDRO CC(C)[N@@H+]1CCC[C@@H](NC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000829539155 706353054 /nfs/dbraw/zinc/35/30/54/706353054.db2.gz MXOCGPIHAFEPJC-UKRRQHHQSA-N 1 0 321.377 1.617 20 5 DDBDRO CCO[C@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1C)C[NH+](C)C ZINC000926820964 712907050 /nfs/dbraw/zinc/90/70/50/712907050.db2.gz FNWHICWSWAHLDQ-GFCCVEGCSA-N 1 0 324.381 1.991 20 5 DDBDRO C[C@H]([NH2+]CC(=O)NCc1ccccn1)c1ccc([N+](=O)[O-])cc1 ZINC000830160764 706466435 /nfs/dbraw/zinc/46/64/35/706466435.db2.gz HWLSGTISBYHKOK-LBPRGKRZSA-N 1 0 314.345 1.957 20 5 DDBDRO CCOc1cc(C[NH+]2CCC(CO)(CO)CC2)ccc1[N+](=O)[O-] ZINC000879971369 706839199 /nfs/dbraw/zinc/83/91/99/706839199.db2.gz RTEIDDBBRDMVJU-UHFFFAOYSA-N 1 0 324.377 1.560 20 5 DDBDRO CC(C)[N@H+](C)C[C@H](C)NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000832870302 706997084 /nfs/dbraw/zinc/99/70/84/706997084.db2.gz HJAFSZMXKGDSKJ-FZMZJTMJSA-N 1 0 309.366 1.473 20 5 DDBDRO O=C1N[C@@H](C[NH+]2CCCCC2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000927177240 712949973 /nfs/dbraw/zinc/94/99/73/712949973.db2.gz ZARXAJCLKBEADV-ZDUSSCGKSA-N 1 0 318.333 1.506 20 5 DDBDRO Cc1c(C[NH2+]CC2CCS(=O)(=O)CC2)cccc1[N+](=O)[O-] ZINC000873097955 707729857 /nfs/dbraw/zinc/72/98/57/707729857.db2.gz GSNJNZCUNOCDFO-UHFFFAOYSA-N 1 0 312.391 1.818 20 5 DDBDRO Nc1ccc([N+](=O)[O-])c(N2CCC[C@@H]([NH2+]C3CCOCC3)C2)c1 ZINC000882726207 707762750 /nfs/dbraw/zinc/76/27/50/707762750.db2.gz MWLBPXJTPSTBJO-CQSZACIVSA-N 1 0 320.393 1.914 20 5 DDBDRO C[N@H+](CCNc1ccc([N+](=O)[O-])cc1F)CCOCCO ZINC000882950994 707867603 /nfs/dbraw/zinc/86/76/03/707867603.db2.gz JYQBZZWWSMNAFN-UHFFFAOYSA-N 1 0 301.318 1.087 20 5 DDBDRO CCN1CC[C@@H]1C[NH2+]Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000883361034 707984638 /nfs/dbraw/zinc/98/46/38/707984638.db2.gz RNDNLUFTWPSQAV-GFCCVEGCSA-N 1 0 309.366 1.796 20 5 DDBDRO COc1ccc(CNC(=O)[C@@H]2C[NH2+]CC2(C)C)cc1[N+](=O)[O-] ZINC000884099615 708138223 /nfs/dbraw/zinc/13/82/23/708138223.db2.gz UGXYAQCOAHAMRV-NSHDSACASA-N 1 0 307.350 1.465 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]3C[C@H](CO)C3)CC2)cn1 ZINC000897355584 708303241 /nfs/dbraw/zinc/30/32/41/708303241.db2.gz XDSDCSPTRRGPPK-AULYBMBSSA-N 1 0 306.366 1.319 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H]1CC[C@@H](O)[C@@H](O)CC1 ZINC000886262747 708731278 /nfs/dbraw/zinc/73/12/78/708731278.db2.gz ZNRONDPNHFQMTN-DVSIDAKKSA-N 1 0 308.378 1.966 20 5 DDBDRO O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CC([NH+]2CCCC2)C1 ZINC000898608356 708809126 /nfs/dbraw/zinc/80/91/26/708809126.db2.gz QWQHDVHXNIUKLM-UHFFFAOYSA-N 1 0 314.345 1.996 20 5 DDBDRO O=C1NCCN1CC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000886742930 708832331 /nfs/dbraw/zinc/83/23/31/708832331.db2.gz OUYWFXXYDPJCBY-CQSZACIVSA-N 1 0 318.377 1.531 20 5 DDBDRO C[N@@H+]1CCC[C@](O)(CC(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000900331139 709541958 /nfs/dbraw/zinc/54/19/58/709541958.db2.gz BUKMARVYYKJZJD-INIZCTEOSA-N 1 0 321.377 1.100 20 5 DDBDRO O=C(c1cccc([N+](=O)[O-])c1)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000889780165 709631264 /nfs/dbraw/zinc/63/12/64/709631264.db2.gz IPIMDYMXYREFAD-HUUCEWRRSA-N 1 0 319.361 1.266 20 5 DDBDRO COc1c(C(=O)N2CC[C@H]([NH+]3CCC3)C2)cccc1[N+](=O)[O-] ZINC000912910576 713121701 /nfs/dbraw/zinc/12/17/01/713121701.db2.gz ZUUUYEZWXYQGDM-NSHDSACASA-N 1 0 305.334 1.524 20 5 DDBDRO C[C@H](NC(=O)C[C@@]1(O)CCC[N@H+](C)C1)c1ccccc1[N+](=O)[O-] ZINC000901328964 710011585 /nfs/dbraw/zinc/01/15/85/710011585.db2.gz JVNSWJRBOHIIPU-LRDDRELGSA-N 1 0 321.377 1.619 20 5 DDBDRO C[C@H](NC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000891382748 710180338 /nfs/dbraw/zinc/18/03/38/710180338.db2.gz OWADBVCPISHANN-DETPVDSQSA-N 1 0 318.377 1.907 20 5 DDBDRO CC[N@H+](CCNCc1ccc(O)c(OC)c1[N+](=O)[O-])C1CC1 ZINC000892792320 710500335 /nfs/dbraw/zinc/50/03/35/710500335.db2.gz LPCCEUHRAVBUDX-UHFFFAOYSA-N 1 0 309.366 1.883 20 5 DDBDRO C[C@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000928430893 713192163 /nfs/dbraw/zinc/19/21/63/713192163.db2.gz JUQJTQLZXFDYKF-HPEDKQMDSA-N 1 0 303.362 1.907 20 5 DDBDRO C[C@H]1[C@H](NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC[N@@H+]1C ZINC000928445238 713199449 /nfs/dbraw/zinc/19/94/49/713199449.db2.gz PQLCXAPPUCZAIA-SMDDNHRTSA-N 1 0 316.361 1.758 20 5 DDBDRO CCOc1ccc(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000928452603 713203786 /nfs/dbraw/zinc/20/37/86/713203786.db2.gz NFAFISGKRFEFLQ-CMPLNLGQSA-N 1 0 307.350 1.816 20 5 DDBDRO CC1(C)C[NH2+]C[C@@H]1N[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000902445241 710756922 /nfs/dbraw/zinc/75/69/22/710756922.db2.gz PJBGZRKUVNAJFD-AVGNSLFASA-N 1 0 307.398 1.863 20 5 DDBDRO C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000911866671 711040975 /nfs/dbraw/zinc/04/09/75/711040975.db2.gz AUYDOHJXGDRSGT-RRFJBIMHSA-N 1 0 303.362 1.909 20 5 DDBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1COC[C@@H]1C ZINC000903400091 711114514 /nfs/dbraw/zinc/11/45/14/711114514.db2.gz MIDYNSQXEWVTBM-MISXGVKJSA-N 1 0 307.350 1.936 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC[C@]12CC[NH2+]C2 ZINC000903862743 711307293 /nfs/dbraw/zinc/30/72/93/711307293.db2.gz DMTAZIMVOWBZPL-MRXNPFEDSA-N 1 0 318.377 1.670 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[C@@]12CC[NH2+]C2 ZINC000903863120 711307315 /nfs/dbraw/zinc/30/73/15/711307315.db2.gz JBMIPWPRGBZVOD-INIZCTEOSA-N 1 0 318.377 1.670 20 5 DDBDRO O=C(CN1CCC[C@@]12CC[NH2+]C2)Nc1ccccc1[N+](=O)[O-] ZINC000903864400 711307580 /nfs/dbraw/zinc/30/75/80/711307580.db2.gz UFXZSFQXEGVLNH-HNNXBMFYSA-N 1 0 304.350 1.361 20 5 DDBDRO COCC[C@@H]1C[NH2+]CCN1C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000904273236 711422056 /nfs/dbraw/zinc/42/20/56/711422056.db2.gz WRZSAZKFXAVDPY-CYBMUJFWSA-N 1 0 322.365 1.745 20 5 DDBDRO C[C@@H](NC(=O)C1C[NH+]([C@@H]2CCOC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000895783209 711605215 /nfs/dbraw/zinc/60/52/15/711605215.db2.gz RSRMLXHDIQLSQL-IAQYHMDHSA-N 1 0 319.361 1.493 20 5 DDBDRO CCO[C@@H](CNc1nc2cc([N+](=O)[O-])ccc2[nH]1)C[NH+](C)C ZINC000896118492 711678739 /nfs/dbraw/zinc/67/87/39/711678739.db2.gz ZQXBDPBJLHVPRL-NSHDSACASA-N 1 0 307.354 1.850 20 5 DDBDRO Cc1cccc(C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCN2C)c1[N+](=O)[O-] ZINC000896581024 711758118 /nfs/dbraw/zinc/75/81/18/711758118.db2.gz FUJHYOMQCJFABI-GXTWGEPZSA-N 1 0 320.393 1.267 20 5 DDBDRO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NC12CC[NH+](CC1)C2 ZINC000913633091 713273118 /nfs/dbraw/zinc/27/31/18/713273118.db2.gz LLIRSDZRYYXNBP-BENRWUELSA-N 1 0 301.346 1.963 20 5 DDBDRO C[C@]1(CN2CCN(c3ncccc3[N+](=O)[O-])CC2)CCC[NH2+]C1 ZINC000904369490 711848106 /nfs/dbraw/zinc/84/81/06/711848106.db2.gz XQZCXOJARAWJAY-INIZCTEOSA-N 1 0 319.409 1.502 20 5 DDBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]C[C@H](O)C1(O)CCC1 ZINC000905202020 711966684 /nfs/dbraw/zinc/96/66/84/711966684.db2.gz LLOMAFZIIOCDED-ZDUSSCGKSA-N 1 0 314.769 1.656 20 5 DDBDRO COC(=O)c1csc(-c2cccc(C[NH2+]CC[N+](=O)[O-])c2)n1 ZINC000905227569 711974728 /nfs/dbraw/zinc/97/47/28/711974728.db2.gz BLCWBEOZARSKIA-UHFFFAOYSA-N 1 0 321.358 1.963 20 5 DDBDRO O=[N+]([O-])CC[NH2+]C[C@H](CO)Cc1ccccc1Br ZINC000905364907 712016631 /nfs/dbraw/zinc/01/66/31/712016631.db2.gz HDDMKGXUCPGBBX-SNVBAGLBSA-N 1 0 317.183 1.466 20 5 DDBDRO CCN1CC[C@@H]1C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000905440802 712038231 /nfs/dbraw/zinc/03/82/31/712038231.db2.gz HARHDTMXQAKIGG-GFCCVEGCSA-N 1 0 306.366 1.607 20 5 DDBDRO C[C@@]1(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCCCO1 ZINC000905587022 712087095 /nfs/dbraw/zinc/08/70/95/712087095.db2.gz GQXLKDZKPQWISC-CJNGLKHVSA-N 1 0 324.377 1.883 20 5 DDBDRO [NH3+]C1CCN(CCNc2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000905704967 712125624 /nfs/dbraw/zinc/12/56/24/712125624.db2.gz FZQSQVFLFMYVGY-UHFFFAOYSA-N 1 0 315.377 1.978 20 5 DDBDRO Cc1c(CNC(=O)C[C@]2(O)CCC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC000907695769 712615126 /nfs/dbraw/zinc/61/51/26/712615126.db2.gz PMMQYGUPWOKQPD-MRXNPFEDSA-N 1 0 321.377 1.366 20 5 DDBDRO CC[C@H](CO)[NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000916570724 713458374 /nfs/dbraw/zinc/45/83/74/713458374.db2.gz PPIQLJCTRDHYDJ-SECBINFHSA-N 1 0 301.730 1.547 20 5 DDBDRO COC[C@@H](C)[NH2+]CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000916571039 713458439 /nfs/dbraw/zinc/45/84/39/713458439.db2.gz RZPQZVLFMUHUDK-MRVPVSSYSA-N 1 0 301.730 1.811 20 5 DDBDRO Cc1ccc(CNC(=O)C2CC[NH+](CC[N+](=O)[O-])CC2)cc1F ZINC000929272218 713580007 /nfs/dbraw/zinc/58/00/07/713580007.db2.gz VIEXVHSFGDGCOL-UHFFFAOYSA-N 1 0 323.368 1.739 20 5 DDBDRO Cc1ccc([C@@H](C)NC(=O)NC[C@H]2CC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000921336892 713738339 /nfs/dbraw/zinc/73/83/39/713738339.db2.gz ZLTQDTUEILAPKS-DGCLKSJQSA-N 1 0 306.366 1.968 20 5 DDBDRO COc1ccc(NC(=O)N[C@H]2CC[N@H+](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000930770386 713916209 /nfs/dbraw/zinc/91/62/09/713916209.db2.gz WOJZUFSSDSCPJA-KOLCDFICSA-N 1 0 308.338 1.818 20 5 DDBDRO Cc1c(CNC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000922167840 713981005 /nfs/dbraw/zinc/98/10/05/713981005.db2.gz GYRKRBHXFFHQOL-DGCLKSJQSA-N 1 0 306.366 1.795 20 5 DDBDRO C[NH+]1C[C@]2(C)CN(C[C@@H](O)c3cccc([N+](=O)[O-])c3)C[C@@]2(C)C1 ZINC000931312886 714063043 /nfs/dbraw/zinc/06/30/43/714063043.db2.gz WBTCMOFXOMQMMW-BRWVUGGUSA-N 1 0 319.405 1.902 20 5 DDBDRO C[N@H+]1C[C@H]2CC[C@@H](C1)N2Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000931389431 714081903 /nfs/dbraw/zinc/08/19/03/714081903.db2.gz DEFFTWLKPHDWPM-BETUJISGSA-N 1 0 306.322 1.781 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1CN1CCC(O)(C[NH+](C)C)CC1 ZINC000931482446 714108219 /nfs/dbraw/zinc/10/82/19/714108219.db2.gz UPSOZQYDUAMOHB-UHFFFAOYSA-N 1 0 323.393 1.492 20 5 DDBDRO Cn1nccc1[C@@H](O)C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000922973792 714201159 /nfs/dbraw/zinc/20/11/59/714201159.db2.gz RWOLSVMYNIDHMF-VOKGJARPSA-N 1 0 302.334 1.665 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)CN(C2CC2)[C@H]2CC[NH2+]C2)c1 ZINC000923330210 714317222 /nfs/dbraw/zinc/31/72/22/714317222.db2.gz ZSULGVGORVRFMF-LSDHHAIUSA-N 1 0 321.377 1.161 20 5 DDBDRO CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H](C[NH3+])C(F)(F)F ZINC000923397642 714341531 /nfs/dbraw/zinc/34/15/31/714341531.db2.gz NQJYPHIGQLQQQR-QWRGUYRKSA-N 1 0 307.272 1.450 20 5 DDBDRO C[C@H]1COC[C@@H]1[NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000932493319 714345866 /nfs/dbraw/zinc/34/58/66/714345866.db2.gz DXRNDSHXNVUCPX-KWQFWETISA-N 1 0 313.741 1.811 20 5 DDBDRO C[NH2+]CCN(C[C@H](O)COc1cccc([N+](=O)[O-])c1)C(C)C ZINC000923432557 714353973 /nfs/dbraw/zinc/35/39/73/714353973.db2.gz FQWFUGAXVVMZJV-AWEZNQCLSA-N 1 0 311.382 1.264 20 5 DDBDRO C[C@@H]1C[N@H+](CC[N+](=O)[O-])CC[C@H]1CNC(=O)OC(C)(C)C ZINC000932710158 714394754 /nfs/dbraw/zinc/39/47/54/714394754.db2.gz LFXLZLXKEMBGPC-NEPJUHHUSA-N 1 0 301.387 1.746 20 5 DDBDRO CCO[C@H]1CCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000932973825 714447264 /nfs/dbraw/zinc/44/72/64/714447264.db2.gz LQKSXHUSAMGPCD-GJZGRUSLSA-N 1 0 319.361 1.811 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000933332653 714564598 /nfs/dbraw/zinc/56/45/98/714564598.db2.gz IKYWWRSYKDXNSV-ZDUSSCGKSA-N 1 0 321.381 1.044 20 5 DDBDRO C[C@@H](Cc1cccnc1)[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000934232418 714771799 /nfs/dbraw/zinc/77/17/99/714771799.db2.gz FIMAKTBNKDDOAR-LBPRGKRZSA-N 1 0 302.334 1.372 20 5 DDBDRO Cc1c(CN2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)cccc1[N+](=O)[O-] ZINC000934257979 714777835 /nfs/dbraw/zinc/77/78/35/714777835.db2.gz KSAIBTGNYBTRMG-IAGOWNOFSA-N 1 0 319.405 1.934 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000935650814 715109138 /nfs/dbraw/zinc/10/91/38/715109138.db2.gz YUBPOEIDIQSACQ-GFCCVEGCSA-N 1 0 309.370 1.042 20 5 DDBDRO C[NH+]1CC2(C1)CCN(C(=O)CCc1cc(F)ccc1[N+](=O)[O-])C2 ZINC000935667631 715113823 /nfs/dbraw/zinc/11/38/23/715113823.db2.gz WURYHOLVSZFYLB-UHFFFAOYSA-N 1 0 321.352 1.831 20 5 DDBDRO COc1cc(-n2ccnc2[C@@H]2CCC[NH2+]C2)ncc1[N+](=O)[O-] ZINC001167054198 732349410 /nfs/dbraw/zinc/34/94/10/732349410.db2.gz CFKQNUQSPUJSSZ-SNVBAGLBSA-N 1 0 303.322 1.651 20 5 DDBDRO O=C(NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1cccc(=O)[nH]1 ZINC001125292144 732423959 /nfs/dbraw/zinc/42/39/59/732423959.db2.gz OVPNVFTWNOLWQF-UHFFFAOYSA-N 1 0 316.317 1.215 20 5 DDBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)c1cnon1 ZINC001020786287 732676248 /nfs/dbraw/zinc/67/62/48/732676248.db2.gz XANHKRFZPGFTDU-XYPYZODXSA-N 1 0 317.305 1.028 20 5 DDBDRO Cc1cscc1C(=O)NCCNCc1c([N+](=O)[O-])ncn1C ZINC001125374875 732970460 /nfs/dbraw/zinc/97/04/60/732970460.db2.gz ATRMPYFUUHIILT-UHFFFAOYSA-N 1 0 323.378 1.218 20 5 DDBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)c1ccc[nH]1 ZINC001021830731 733606009 /nfs/dbraw/zinc/60/60/09/733606009.db2.gz WBJOLBGUJCLRPB-BETUJISGSA-N 1 0 314.345 1.974 20 5 DDBDRO Cc1nscc1C(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001125929916 737678445 /nfs/dbraw/zinc/67/84/45/737678445.db2.gz HBAJTRRDNXTLTQ-UHFFFAOYSA-N 1 0 320.374 1.879 20 5 DDBDRO COC(=O)[C@@H](CCC[NH3+])Nc1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC001167898612 739205542 /nfs/dbraw/zinc/20/55/42/739205542.db2.gz BKNFUYDUDJGMRR-SNVBAGLBSA-N 1 0 315.301 1.435 20 5 DDBDRO O=C(NCC[NH2+]Cc1ccc2ncccc2c1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126932040 742775309 /nfs/dbraw/zinc/77/53/09/742775309.db2.gz GBSHOUMIXFSSON-UKRRQHHQSA-N 1 0 314.345 1.106 20 5 DDBDRO C[NH+](C)CCC(=O)NCC1(Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC001110325302 743768026 /nfs/dbraw/zinc/76/80/26/743768026.db2.gz GLQBFCYLWBCLQQ-UHFFFAOYSA-N 1 0 306.366 1.607 20 5 DDBDRO O=[N+]([O-])c1cc2c(cc1NCC1(N3CCCC3)COC1)C[NH2+]C2 ZINC001168451714 745113882 /nfs/dbraw/zinc/11/38/82/745113882.db2.gz RQLXCQIRSLMJDO-UHFFFAOYSA-N 1 0 318.377 1.475 20 5 DDBDRO Cc1ncc(C(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)[nH]1 ZINC001124819511 748515971 /nfs/dbraw/zinc/51/59/71/748515971.db2.gz WEJBRPSHQOVGST-UHFFFAOYSA-N 1 0 309.351 1.207 20 5 DDBDRO CC(C)(C)C(=O)C(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001124977236 748742997 /nfs/dbraw/zinc/74/29/97/748742997.db2.gz ZGQVPTIBVTUKOR-UHFFFAOYSA-N 1 0 307.350 1.416 20 5 DDBDRO O=C(C[NH+]1CCCC1)NC/C=C/CNc1ccc([N+](=O)[O-])cc1 ZINC001107200291 749570307 /nfs/dbraw/zinc/57/03/07/749570307.db2.gz ITPAEVCLFCRKNC-OWOJBTEDSA-N 1 0 318.377 1.775 20 5 DDBDRO Cc1cc(NC/C=C\CNC(=O)CC[NH+](C)C)ncc1[N+](=O)[O-] ZINC001107489819 750045818 /nfs/dbraw/zinc/04/58/18/750045818.db2.gz KCZIKXPPWRSZDR-PLNGDYQASA-N 1 0 321.381 1.334 20 5 DDBDRO CN(CCCNC(=O)CCC[NH+](C)C)c1ccccc1[N+](=O)[O-] ZINC001095721544 750167865 /nfs/dbraw/zinc/16/78/65/750167865.db2.gz MPZLDJZPGRQZKM-UHFFFAOYSA-N 1 0 322.409 1.879 20 5 DDBDRO CCC(=O)NCC[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC001111309226 750443404 /nfs/dbraw/zinc/44/34/04/750443404.db2.gz GWMWSOXCTOTQIT-UHFFFAOYSA-N 1 0 320.393 1.997 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H]3CC[N@H+](C)[C@H]3C2)c1 ZINC001129073178 751227970 /nfs/dbraw/zinc/22/79/70/751227970.db2.gz BBQPOTZJWNHTBS-YGRLFVJLSA-N 1 0 305.334 1.380 20 5 DDBDRO CS(=O)(=O)c1ccc(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)nc1 ZINC001168961703 762156228 /nfs/dbraw/zinc/15/62/28/762156228.db2.gz JQQRRPAQNWPVKJ-QWRGUYRKSA-N 1 0 313.379 1.020 20 5 DDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CCC2CCS(=O)(=O)CC2)C1 ZINC001168970655 762160749 /nfs/dbraw/zinc/16/07/49/762160749.db2.gz HZQJOFCQXYGPAV-QWHCGFSZSA-N 1 0 304.412 1.236 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2ccnc(OCC3CC3)n2)C1 ZINC001168998099 762170064 /nfs/dbraw/zinc/17/00/64/762170064.db2.gz IFLZVWHBWLISMT-CHWSQXEVSA-N 1 0 306.366 1.800 20 5 DDBDRO COC(=O)c1ccc([C@H](CO)[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)cc1 ZINC001169000986 762171585 /nfs/dbraw/zinc/17/15/85/762171585.db2.gz CALSWXYRSDKJQU-GLQYFDAESA-N 1 0 322.361 1.542 20 5 DDBDRO Cc1cccnc1N1CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169007694 762175971 /nfs/dbraw/zinc/17/59/71/762175971.db2.gz PIQYGCIGWSFKDT-LSDHHAIUSA-N 1 0 304.394 1.957 20 5 DDBDRO NC(=O)c1ccccc1OCC[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168986984 762179636 /nfs/dbraw/zinc/17/96/36/762179636.db2.gz GVWFIXSFOHTLDA-RYUDHWBXSA-N 1 0 307.350 1.199 20 5 DDBDRO O=C(NC1CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1)C(F)(F)F ZINC001169036031 762191534 /nfs/dbraw/zinc/19/15/34/762191534.db2.gz MTZWSWTYPZLGGP-GXSJLCMTSA-N 1 0 323.315 1.575 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2C[C@H]3CN(c4ncccn4)C[C@@H]3C2)C1 ZINC001169018403 762199383 /nfs/dbraw/zinc/19/93/83/762199383.db2.gz BDAIJUPTLOVRLH-QPSCCSFWSA-N 1 0 317.393 1.290 20 5 DDBDRO Cc1nccnc1O[C@@H]1CC[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169051990 762206751 /nfs/dbraw/zinc/20/67/51/762206751.db2.gz DYYQVNSAPAUZHP-HZSPNIEDSA-N 1 0 306.366 1.684 20 5 DDBDRO CCC1=NC2(CC[NH+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)C(=O)N1C ZINC001169053543 762207851 /nfs/dbraw/zinc/20/78/51/762207851.db2.gz IKTLOEJHAYPBIU-QWHCGFSZSA-N 1 0 322.409 1.547 20 5 DDBDRO Nc1cccc(CN2CC[NH+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)c1 ZINC001169054939 762210153 /nfs/dbraw/zinc/21/01/53/762210153.db2.gz OLCJISJQLGTIPC-NVXWUHKLSA-N 1 0 318.421 1.832 20 5 DDBDRO C[NH+](C)C1(C)CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000823653316 758332680 /nfs/dbraw/zinc/33/26/80/758332680.db2.gz KIYTZTZWLZBGDM-UHFFFAOYSA-N 1 0 321.377 1.916 20 5 DDBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)c1cc[nH]c1 ZINC001020181565 760656696 /nfs/dbraw/zinc/65/66/96/760656696.db2.gz KLIQKBOJCYMAOV-HDJSIYSDSA-N 1 0 314.345 1.974 20 5 DDBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N[C@@H]2CC[NH2+][C@@H]2C)n1 ZINC001155187922 760803875 /nfs/dbraw/zinc/80/38/75/760803875.db2.gz UXOLZYNBCOQSCY-PHDIDXHHSA-N 1 0 303.775 1.922 20 5 DDBDRO O=C(NC[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)C1CC1 ZINC001086288566 761298153 /nfs/dbraw/zinc/29/81/53/761298153.db2.gz AYQXOQBAOQOHGK-YEORSEQZSA-N 1 0 303.362 1.989 20 5 DDBDRO Cc1nc(Cl)nc(N2C[C@H]3CCC[N@@H+](C)[C@H]3C2)c1[N+](=O)[O-] ZINC001157261463 764729376 /nfs/dbraw/zinc/72/93/76/764729376.db2.gz RJNHITOONJUISB-ZJUUUORDSA-N 1 0 311.773 1.877 20 5 DDBDRO COc1ccc(C[C@H](C)[NH2+][C@@H]2CCCNC2=O)c([N+](=O)[O-])c1 ZINC001170297815 766227153 /nfs/dbraw/zinc/22/71/53/766227153.db2.gz SPDHZKOZIGNIKE-GXFFZTMASA-N 1 0 307.350 1.403 20 5 DDBDRO COc1ccc(C[C@@H](C)n2c(C)nnc2C[NH3+])c([N+](=O)[O-])c1 ZINC001170326668 766253146 /nfs/dbraw/zinc/25/31/46/766253146.db2.gz BJJXJJRYCVMQQH-SECBINFHSA-N 1 0 305.338 1.766 20 5 DDBDRO COc1ccc(C[C@@H](C)[NH2+]CC2(O)CCOCC2)c([N+](=O)[O-])c1 ZINC001170308626 766259418 /nfs/dbraw/zinc/25/94/18/766259418.db2.gz NCUFRKSNKYVOQJ-GFCCVEGCSA-N 1 0 324.377 1.666 20 5 DDBDRO Cc1ncn(C)c1C(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001129959717 767072570 /nfs/dbraw/zinc/07/25/70/767072570.db2.gz KERLINCMAGMFES-UHFFFAOYSA-N 1 0 317.349 1.156 20 5 DDBDRO CCOC(=O)C1C[NH2+]CCC1=Nc1nccc(OC)c1[N+](=O)[O-] ZINC001170513017 767720981 /nfs/dbraw/zinc/72/09/81/767720981.db2.gz DJZPNUCTUILYDZ-UHFFFAOYSA-N 1 0 322.321 1.221 20 5 DDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@@H]2C[N@@H+](Cc3ccsc3)C[C@@H]2C1 ZINC001048812128 769929818 /nfs/dbraw/zinc/92/98/18/769929818.db2.gz BJVNCPQHKGEFDR-XJFOESAGSA-N 1 0 321.402 1.304 20 5 DDBDRO Cc1cnoc1C(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001146493973 772877427 /nfs/dbraw/zinc/87/74/27/772877427.db2.gz ARDZHMHMNJOODK-UHFFFAOYSA-N 1 0 304.306 1.411 20 5 DDBDRO COC(=O)Cc1ccc(NC[C@H]2CCCC[NH2+]2)cc1[N+](=O)[O-] ZINC001171334143 773539588 /nfs/dbraw/zinc/53/95/88/773539588.db2.gz GOIDKZQHMBBLTO-CYBMUJFWSA-N 1 0 307.350 1.864 20 5 DDBDRO C[NH+]1CCC(C(=O)NCCNc2cccc(F)c2[N+](=O)[O-])CC1 ZINC001093700620 775019393 /nfs/dbraw/zinc/01/93/93/775019393.db2.gz CECLKJLPZBTDDT-UHFFFAOYSA-N 1 0 324.356 1.604 20 5 DDBDRO CC[N@H+](C)CCC(=O)NCCNc1nccc(C)c1[N+](=O)[O-] ZINC001093840359 775123965 /nfs/dbraw/zinc/12/39/65/775123965.db2.gz IZGKUVHUCZWHDU-UHFFFAOYSA-N 1 0 309.370 1.168 20 5 DDBDRO C[NH+](C)CCCC(=O)NCCNc1ccc([N+](=O)[O-])cc1F ZINC001094093993 775427042 /nfs/dbraw/zinc/42/70/42/775427042.db2.gz HQEJQVVRDDXNIF-UHFFFAOYSA-N 1 0 312.345 1.604 20 5 DDBDRO Cc1cnc(NCCCNC(=O)C[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC001094434282 775856949 /nfs/dbraw/zinc/85/69/49/775856949.db2.gz ADAJNOAAQSRKQM-UHFFFAOYSA-N 1 0 321.381 1.312 20 5 DDBDRO C[NH+](C)C1(C(=O)NCCCNc2ncccc2[N+](=O)[O-])CCC1 ZINC001094621519 776141962 /nfs/dbraw/zinc/14/19/62/776141962.db2.gz CINHBQJSKYSIMP-UHFFFAOYSA-N 1 0 321.381 1.392 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]C[C@H](O)CF)c1F ZINC001173181301 777035483 /nfs/dbraw/zinc/03/54/83/777035483.db2.gz CMFWIYMXNZEEAQ-RKDXNWHRSA-N 1 0 304.293 1.594 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)n2nncc2C[NH3+])c1F ZINC001173190646 777036658 /nfs/dbraw/zinc/03/66/58/777036658.db2.gz FTKWKDALAVFOGS-QMMMGPOBSA-N 1 0 309.301 1.596 20 5 DDBDRO CNC(=O)[C@H](C)[NH2+][C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173193311 777037178 /nfs/dbraw/zinc/03/71/78/777037178.db2.gz UPVUYMTXJPMAGL-BDAKNGLRSA-N 1 0 313.329 1.398 20 5 DDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@]1(CN)CN2CCC1CC2 ZINC001173221631 777054085 /nfs/dbraw/zinc/05/40/85/777054085.db2.gz OENSAIYDLBKBPL-GUYCJALGSA-N 1 0 318.421 1.539 20 5 DDBDRO Cc1n[nH]cc1C[N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC001175183102 777712649 /nfs/dbraw/zinc/71/26/49/777712649.db2.gz GMDPDELLTYBGCN-CYBMUJFWSA-N 1 0 320.349 1.498 20 5 DDBDRO CCC[N@H+](C)CC(=O)NCC1(Nc2ccccc2[N+](=O)[O-])CC1 ZINC001110193742 778068029 /nfs/dbraw/zinc/06/80/29/778068029.db2.gz VHOHSGREYZUSQB-UHFFFAOYSA-N 1 0 320.393 1.997 20 5 DDBDRO O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)NCCN1CC=CC1 ZINC001117793747 780901406 /nfs/dbraw/zinc/90/14/06/780901406.db2.gz AFJXBDGYELPUTH-UHFFFAOYSA-N 1 0 317.345 1.546 20 5 DDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH2+][C@H](C(C)C)C1 ZINC001118740953 781228346 /nfs/dbraw/zinc/22/83/46/781228346.db2.gz UWOSVNVCIGTLGW-AWEZNQCLSA-N 1 0 306.366 1.707 20 5 DDBDRO C[NH+](C)CCONC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC001118762890 781235618 /nfs/dbraw/zinc/23/56/18/781235618.db2.gz GYUNNNZLEHNMMP-UHFFFAOYSA-N 1 0 301.730 1.400 20 5 DDBDRO CCC[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC1=CCCCC1 ZINC001267314078 837810013 /nfs/dbraw/zinc/81/00/13/837810013.db2.gz HYVJKZQWAJVSLN-HUUCEWRRSA-N 1 0 309.410 1.980 20 5 DDBDRO CN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)CC1(O)CCC1 ZINC001266694385 836681914 /nfs/dbraw/zinc/68/19/14/836681914.db2.gz LJGBYGUOIJLQRK-UHFFFAOYSA-N 1 0 321.377 1.448 20 5 DDBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001326482969 861401167 /nfs/dbraw/zinc/40/11/67/861401167.db2.gz RPNNPAOIBDOEBH-UGFHNGPFSA-N 1 0 321.377 1.427 20 5 DDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC001326831868 861642157 /nfs/dbraw/zinc/64/21/57/861642157.db2.gz BUPRVMHNCAXOBH-QWRGUYRKSA-N 1 0 306.366 1.836 20 5 DDBDRO [NH3+]Cc1ccnn1C(F)(F)c1cc([N+](=O)[O-])cnc1Cl ZINC001155125642 861758198 /nfs/dbraw/zinc/75/81/98/861758198.db2.gz UKMFZHGDJVCQLL-UHFFFAOYSA-N 1 0 303.656 1.896 20 5 DDBDRO COC(=O)[C@@H](Nc1ccc2c(cccc2[N+](=O)[O-])n1)C(C)(C)[NH3+] ZINC001155368434 862000394 /nfs/dbraw/zinc/00/03/94/862000394.db2.gz JSAVUEQCJHSTIX-CYBMUJFWSA-N 1 0 318.333 1.834 20 5 DDBDRO CC(C)C[NH+]1CCC(C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 ZINC001150031521 862036587 /nfs/dbraw/zinc/03/65/87/862036587.db2.gz ZLXRCIDUOKWIHQ-UHFFFAOYSA-N 1 0 323.397 1.276 20 5 DDBDRO CCOC(=O)c1cnc(-n2c(C)cnc2C[NH3+])c([N+](=O)[O-])c1 ZINC001169021015 850517962 /nfs/dbraw/zinc/51/79/62/850517962.db2.gz VUDRHMLFCKVJPJ-UHFFFAOYSA-N 1 0 305.294 1.119 20 5 DDBDRO Nc1cc([N+](=O)[O-])cnc1NC[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001155595781 862271873 /nfs/dbraw/zinc/27/18/73/862271873.db2.gz CYUDLUADJQQKNM-QMTHXVAHSA-N 1 0 307.354 1.143 20 5 DDBDRO CCn1cccc1C(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001151189447 862666101 /nfs/dbraw/zinc/66/61/01/862666101.db2.gz ASOKIKCCENMQCC-UHFFFAOYSA-N 1 0 322.390 1.997 20 5 DDBDRO [NH3+]CCCSCCC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC001121933648 858638557 /nfs/dbraw/zinc/63/85/57/858638557.db2.gz VPVPAYDXYNZNPG-UHFFFAOYSA-N 1 0 311.407 1.726 20 5 DDBDRO CCc1ccc(C(=O)N2CCC[C@H]([NH2+]CCO)C2)cc1[N+](=O)[O-] ZINC001122172248 858702755 /nfs/dbraw/zinc/70/27/55/858702755.db2.gz ATWLVCULCDKYQC-AWEZNQCLSA-N 1 0 321.377 1.344 20 5 DDBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccncc1 ZINC001122593624 858902616 /nfs/dbraw/zinc/90/26/16/858902616.db2.gz DTKCRDKKZCHNLF-UHFFFAOYSA-N 1 0 300.318 1.509 20 5 DDBDRO Cc1ncncc1C(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001124118635 859587761 /nfs/dbraw/zinc/58/77/61/859587761.db2.gz AIXOTNRGELBGBH-UHFFFAOYSA-N 1 0 315.333 1.213 20 5 DDBDRO [NH3+]CCc1ccn(-c2ccc(-c3ccccc3[N+](=O)[O-])nn2)n1 ZINC001156905515 863435378 /nfs/dbraw/zinc/43/53/78/863435378.db2.gz KTMGLJQPZIOUOB-UHFFFAOYSA-N 1 0 310.317 1.739 20 5 DDBDRO COC(=O)[C@@H](CCC[NH3+])Nc1nc2ccccc2cc1[N+](=O)[O-] ZINC001157115918 863593908 /nfs/dbraw/zinc/59/39/08/863593908.db2.gz FMHABMOTWTVMSU-GFCCVEGCSA-N 1 0 318.333 1.835 20 5 DDBDRO CCOc1nc(N2C[C@@H]3CCC[N@H+](C)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001157271749 863700738 /nfs/dbraw/zinc/70/07/38/863700738.db2.gz JEPFBZOOKHSRLO-WCQYABFASA-N 1 0 306.366 1.919 20 5 DDBDRO CCC[N@H+]1C[C@H]2CN(c3ncc(OC)cc3[N+](=O)[O-])C[C@H]2C1 ZINC001157692233 864053837 /nfs/dbraw/zinc/05/38/37/864053837.db2.gz VDMQLDWDDMHYAV-TXEJJXNPSA-N 1 0 306.366 1.776 20 5 DDBDRO Cc1ncn(-c2c(C)c([N+](=O)[O-])cc[n+]2[O-])c1CSCC[NH3+] ZINC001157963391 864311379 /nfs/dbraw/zinc/31/13/79/864311379.db2.gz JKSVAOCKTDXDOG-UHFFFAOYSA-N 1 0 323.378 1.223 20 5 DDBDRO COC(=O)c1cnc(N(C(C)C)[C@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001158025654 864366916 /nfs/dbraw/zinc/36/69/16/864366916.db2.gz ODRBTSZADDREAB-NSHDSACASA-N 1 0 308.338 1.353 20 5 DDBDRO [NH3+]CCc1cnn(-c2ccc(-c3ccc([N+](=O)[O-])cc3)nn2)c1 ZINC001158100877 864429269 /nfs/dbraw/zinc/42/92/69/864429269.db2.gz ZKHFJAYXVOKFHC-UHFFFAOYSA-N 1 0 310.317 1.739 20 5 DDBDRO CC1(C)[C@H](C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C[C@@H]1[NH3+] ZINC001331690845 865248306 /nfs/dbraw/zinc/24/83/06/865248306.db2.gz CQSKBSFUMLZSAZ-KBPBESRZSA-N 1 0 303.362 1.853 20 5 DDBDRO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1ccc2[nH]cc([N+](=O)[O-])c2n1 ZINC001159755755 865508006 /nfs/dbraw/zinc/50/80/06/865508006.db2.gz XYOQAQXMPOXOKB-PSASIEDQSA-N 1 0 319.321 1.034 20 5 DDBDRO COc1nc(-n2cc3ccc(C[NH3+])cc3n2)ncc1[N+](=O)[O-] ZINC001160137923 865693726 /nfs/dbraw/zinc/69/37/26/865693726.db2.gz BWGMMWIMDURBNI-UHFFFAOYSA-N 1 0 300.278 1.191 20 5 DDBDRO COc1cc(N2c3ccccc3OC[C@H]2C[NH3+])ncc1[N+](=O)[O-] ZINC001160198641 865722065 /nfs/dbraw/zinc/72/20/65/865722065.db2.gz FPBFHHHXIVAWNR-SNVBAGLBSA-N 1 0 316.317 1.856 20 5 DDBDRO Nc1nc(N2c3ccccc3OC[C@@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC001160200407 865724532 /nfs/dbraw/zinc/72/45/32/865724532.db2.gz PVNDZYJDWDPIQI-VIFPVBQESA-N 1 0 301.306 1.430 20 5 DDBDRO [NH3+]C[C@]1(Nc2ncc(Cl)cc2[N+](=O)[O-])CN2CCC1CC2 ZINC001160508410 865890399 /nfs/dbraw/zinc/89/03/99/865890399.db2.gz FYOXIEWNDXRTLW-ZDUSSCGKSA-N 1 0 311.773 1.478 20 5 DDBDRO [NH3+]C[C@@]1(Nc2cc(Cl)cc([N+](=O)[O-])n2)CN2CCC1CC2 ZINC001160512177 865894805 /nfs/dbraw/zinc/89/48/05/865894805.db2.gz SZXKPTIGOCSTGC-CYBMUJFWSA-N 1 0 311.773 1.478 20 5 DDBDRO NC(=O)COC1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC001320509662 866787281 /nfs/dbraw/zinc/78/72/81/866787281.db2.gz QPJLAICOOLDDGY-HYXAFXHYSA-N 1 0 319.361 1.574 20 5 DDBDRO CC1CC[NH+](CCc2nnc(-c3c([N+](=O)[O-])cnn3C)o2)CC1 ZINC001324121294 867083973 /nfs/dbraw/zinc/08/39/73/867083973.db2.gz FEDBLVKQZZYIAW-UHFFFAOYSA-N 1 0 320.353 1.653 20 5 DDBDRO C[NH+](C)C[C@@H](O)CNc1cccc(C(F)(F)F)c1[N+](=O)[O-] ZINC001333858034 867086649 /nfs/dbraw/zinc/08/66/49/867086649.db2.gz DHPRMPMHWBFJQJ-QMMMGPOBSA-N 1 0 307.272 1.948 20 5 DDBDRO C[C@@H](CN1CC[NH2+]CC1)Nc1ncc(C(C)(C)C)cc1[N+](=O)[O-] ZINC001162093881 867247003 /nfs/dbraw/zinc/24/70/03/867247003.db2.gz RTZKPENHDDPZCB-LBPRGKRZSA-N 1 0 321.425 1.993 20 5 DDBDRO O=[N+]([O-])c1c(NCCC2CCOCC2)ncnc1C1C[NH2+]C1 ZINC001162221999 867355512 /nfs/dbraw/zinc/35/55/12/867355512.db2.gz CDIAVTGQLKKNDI-UHFFFAOYSA-N 1 0 307.354 1.300 20 5 DDBDRO NC(=O)c1ccnc(N2C[C@H]([NH3+])Cc3ccccc32)c1[N+](=O)[O-] ZINC001162847193 867863088 /nfs/dbraw/zinc/86/30/88/867863088.db2.gz JPSKDEUWWHRWDX-SNVBAGLBSA-N 1 0 313.317 1.110 20 5 DDBDRO Cc1ncc([N+](=O)[O-])c(Nc2ccc([C@H](C[NH3+])CO)cc2)n1 ZINC001163052165 868039162 /nfs/dbraw/zinc/03/91/62/868039162.db2.gz CTXIBXXLSFTVOW-LLVKDONJSA-N 1 0 303.322 1.471 20 5 DDBDRO COc1cc(NCc2noc3c2C[NH2+]CC3)cnc1[N+](=O)[O-] ZINC001163134238 868143843 /nfs/dbraw/zinc/14/38/43/868143843.db2.gz LQYLMDUJJWAARU-UHFFFAOYSA-N 1 0 305.294 1.244 20 5 DDBDRO C[C@@H](NC(=O)NC[C@@H]1C[NH2+]C[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC001335605710 868417485 /nfs/dbraw/zinc/41/74/85/868417485.db2.gz YTULRSANUZVCBX-WZRBSPASSA-N 1 0 306.366 1.811 20 5 DDBDRO C[NH+](C)[C@H]1CC[C@H](Oc2ccc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC001226168410 882245904 /nfs/dbraw/zinc/24/59/04/882245904.db2.gz RXKHWRHSSWZVEP-UMSPYCQHSA-N 1 0 307.350 1.945 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCCC[N@@H+]2C)c1 ZINC001336743981 869120489 /nfs/dbraw/zinc/12/04/89/869120489.db2.gz CAQGNFOTLICCIS-NSHDSACASA-N 1 0 307.350 1.818 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1NC1CCN(c2cc[nH+]cc2)CC1 ZINC001336883383 869199378 /nfs/dbraw/zinc/19/93/78/869199378.db2.gz HARUQANYYHDMRN-UHFFFAOYSA-N 1 0 302.338 1.804 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2C[C@H]3CCC[C@@H](C2)C3O)cc1 ZINC001337289148 869417944 /nfs/dbraw/zinc/41/79/44/869417944.db2.gz MJAGDDMYRLENJR-XFDYKOMQSA-N 1 0 306.362 1.721 20 5 DDBDRO C[NH+](C)C[C@]12C[C@H]1CN(c1ncnc3cc([N+](=O)[O-])ccc31)C2 ZINC001165182715 869418460 /nfs/dbraw/zinc/41/84/60/869418460.db2.gz CPPWFAWMIQZTRN-ZBEGNZNMSA-N 1 0 313.361 1.926 20 5 DDBDRO CC(C)Oc1nc(-n2ncc3c2CC[NH2+]C3)ccc1[N+](=O)[O-] ZINC001165219855 869443725 /nfs/dbraw/zinc/44/37/25/869443725.db2.gz FPEFZMVZYRCECZ-UHFFFAOYSA-N 1 0 303.322 1.608 20 5 DDBDRO O=[N+]([O-])c1cccc2ccc(N3CCOCC34C[NH2+]C4)nc21 ZINC001165285824 869495328 /nfs/dbraw/zinc/49/53/28/869495328.db2.gz HMWICMJARXEKII-UHFFFAOYSA-N 1 0 300.318 1.322 20 5 DDBDRO Cc1nc2c(n1-c1c(Cl)[n+]([O-])ccc1[N+](=O)[O-])CC[NH2+]CC2 ZINC001165352950 869539638 /nfs/dbraw/zinc/53/96/38/869539638.db2.gz IYLUJWKHLXGNKC-UHFFFAOYSA-N 1 0 323.740 1.064 20 5 DDBDRO CSc1nc(Cl)nc(N2CCC[C@@H]3[NH2+]C[C@H]32)c1[N+](=O)[O-] ZINC001165394119 869564717 /nfs/dbraw/zinc/56/47/17/869564717.db2.gz PGUIBDSJAAIYFE-NKWVEPMBSA-N 1 0 315.786 1.701 20 5 DDBDRO CN(C)/C=C/c1cc(N2CCC[C@@H]3[NH2+]C[C@@H]32)ncc1[N+](=O)[O-] ZINC001165396252 869566478 /nfs/dbraw/zinc/56/64/78/869566478.db2.gz ZKDHVQWAIVMKLF-COWJPUMTSA-N 1 0 303.366 1.463 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)CN(C[C@H]1C[C@]3(CC[NH2+]C3)CO1)C2 ZINC001337823810 869644271 /nfs/dbraw/zinc/64/42/71/869644271.db2.gz FAXIKXRJJSBIHJ-CVEARBPZSA-N 1 0 303.362 1.679 20 5 DDBDRO N=c1nc([C@H]2CCC[NH2+]2)ccn1-c1nc(Cl)ncc1[N+](=O)[O-] ZINC001166700884 870168965 /nfs/dbraw/zinc/16/89/65/870168965.db2.gz QRAHUTWLAPOHJQ-SSDOTTSWSA-N 1 0 321.728 1.128 20 5 DDBDRO N=c1nc([C@@H]2CCC[NH2+]2)ccn1-c1nc(Cl)ncc1[N+](=O)[O-] ZINC001166700885 870168978 /nfs/dbraw/zinc/16/89/78/870168978.db2.gz QRAHUTWLAPOHJQ-ZETCQYMHSA-N 1 0 321.728 1.128 20 5 DDBDRO N=c1nc([C@@H]2CCC[NH2+]2)ccn1-c1ncc([N+](=O)[O-])cc1F ZINC001166702169 870172090 /nfs/dbraw/zinc/17/20/90/870172090.db2.gz WCJCTSCXWCZDIX-JTQLQIEISA-N 1 0 304.285 1.219 20 5 DDBDRO C[C@@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC001339681521 870630490 /nfs/dbraw/zinc/63/04/90/870630490.db2.gz WYHVUPUZWKFWFI-CMPLNLGQSA-N 1 0 309.370 1.510 20 5 DDBDRO COC(=O)c1cc(O[C@H]2CCC[N@H+](C)C2)c(OC)cc1[N+](=O)[O-] ZINC001226440225 882433513 /nfs/dbraw/zinc/43/35/13/882433513.db2.gz TZBHQXRBAFDRKI-JTQLQIEISA-N 1 0 324.333 1.863 20 5 DDBDRO Cc1ccc(F)c(C[NH2+]CCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC001317584413 871141668 /nfs/dbraw/zinc/14/16/68/871141668.db2.gz BJRJZVBBNBZWTH-TZMCWYRMSA-N 1 0 309.341 1.347 20 5 DDBDRO COCc1cccc(C[NH2+]CCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC001317585813 871146437 /nfs/dbraw/zinc/14/64/37/871146437.db2.gz WDXBQYVCXOWXKN-HUUCEWRRSA-N 1 0 321.377 1.046 20 5 DDBDRO CN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)c1csnn1 ZINC001317615525 871209879 /nfs/dbraw/zinc/20/98/79/871209879.db2.gz YYUMBTCDKAVWDJ-UHFFFAOYSA-N 1 0 321.362 1.308 20 5 DDBDRO Cn1[nH]c(=O)c2c1C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC2 ZINC001308003185 871462349 /nfs/dbraw/zinc/46/23/49/871462349.db2.gz QBLXKRCTPWAZNO-CQSZACIVSA-N 1 0 318.333 1.126 20 5 DDBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)[C@@H]1C[NH2+]CCC12CCC2 ZINC001341345230 871614506 /nfs/dbraw/zinc/61/45/06/871614506.db2.gz URZPMDNSCMQZTA-AWEZNQCLSA-N 1 0 303.362 1.991 20 5 DDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C[C@]1(O)CCC[NH2+]C1 ZINC001341432542 871658783 /nfs/dbraw/zinc/65/87/83/871658783.db2.gz RPIAILYUAXCRRK-OAHLLOKOSA-N 1 0 307.350 1.058 20 5 DDBDRO [NH3+]C[C@H]1C[C@H](NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC001341559458 871713936 /nfs/dbraw/zinc/71/39/36/871713936.db2.gz OISMLWPUGMFERS-AULYBMBSSA-N 1 0 303.362 1.870 20 5 DDBDRO CCOc1ccc(C(=O)N2CC[NH2+]C[C@@H]2COC)cc1[N+](=O)[O-] ZINC001341624632 871742116 /nfs/dbraw/zinc/74/21/16/871742116.db2.gz XCDYMPGPVTUZRA-GFCCVEGCSA-N 1 0 323.349 1.054 20 5 DDBDRO O=C(CCc1cc(F)ccc1[N+](=O)[O-])N1CC[C@]2(CC[NH2+]C2)C1 ZINC001341649798 871755550 /nfs/dbraw/zinc/75/55/50/871755550.db2.gz QUBHMLKSAZQSIB-INIZCTEOSA-N 1 0 321.352 1.879 20 5 DDBDRO CN(C(=O)CCc1cc(F)ccc1[N+](=O)[O-])[C@@H](C[NH3+])C1CC1 ZINC001341945429 871907136 /nfs/dbraw/zinc/90/71/36/871907136.db2.gz YHOLLXRRJHSGFG-AWEZNQCLSA-N 1 0 309.341 1.862 20 5 DDBDRO CCN(C(=O)COc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[NH2+]C1 ZINC001342172734 872048088 /nfs/dbraw/zinc/04/80/88/872048088.db2.gz JMPVGXNBKQTHNI-CYBMUJFWSA-N 1 0 307.350 1.574 20 5 DDBDRO [NH3+][C@@H]1CN(Cc2ccc3ccc4cccnc4c3n2)CC[C@H]1O ZINC001206097121 872055018 /nfs/dbraw/zinc/05/50/18/872055018.db2.gz ITDSSOLYRODGKP-HZPDHXFCSA-N 1 0 308.385 1.677 20 5 DDBDRO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC001318454673 872061673 /nfs/dbraw/zinc/06/16/73/872061673.db2.gz TXOVAWXMLCACHB-CHWSQXEVSA-N 1 0 306.366 1.780 20 5 DDBDRO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC001318454675 872066080 /nfs/dbraw/zinc/06/60/80/872066080.db2.gz TXOVAWXMLCACHB-QWHCGFSZSA-N 1 0 306.366 1.780 20 5 DDBDRO CCOc1ccc(C(=O)N2CC[C@@H]3CC[C@]32C[NH3+])cc1[N+](=O)[O-] ZINC001342260797 872106967 /nfs/dbraw/zinc/10/69/67/872106967.db2.gz WWMHXYYVIMXJPY-LRDDRELGSA-N 1 0 319.361 1.947 20 5 DDBDRO CN(CC(=O)N1CCC[C@]12CC[NH2+]C2)c1ccccc1[N+](=O)[O-] ZINC001342276884 872121088 /nfs/dbraw/zinc/12/10/88/872121088.db2.gz MAKUSHZYJDAPFF-MRXNPFEDSA-N 1 0 318.377 1.386 20 5 DDBDRO C[C@@H]1C[NH2+]C[C@H]1CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC001342432873 872206591 /nfs/dbraw/zinc/20/65/91/872206591.db2.gz YKYALCXQHBNVKX-PWSUYJOCSA-N 1 0 318.377 1.754 20 5 DDBDRO CO[C@H]1C[NH2+][C@](C)(C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC001342594136 872284555 /nfs/dbraw/zinc/28/45/55/872284555.db2.gz ZDWLOAWFPFKNLC-ZBINZKHDSA-N 1 0 307.350 1.539 20 5 DDBDRO C[C@H]1CC[N@H+](CCNC(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC001318815851 872286619 /nfs/dbraw/zinc/28/66/19/872286619.db2.gz UEHBQLRXBUXWOK-ZDUSSCGKSA-N 1 0 321.377 1.822 20 5 DDBDRO C[C@@H](NC(=O)C[NH2+]C[C@@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC001344789325 873117377 /nfs/dbraw/zinc/11/73/77/873117377.db2.gz GUZIYXNBJRHGFA-RISCZKNCSA-N 1 0 307.350 1.541 20 5 DDBDRO CN1CC[C@H](C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1=O ZINC001346136370 873620131 /nfs/dbraw/zinc/62/01/31/873620131.db2.gz JZWKZQDLVJTSJK-FZMZJTMJSA-N 1 0 307.350 1.086 20 5 DDBDRO CC[NH+]1CCN(C2CN(c3cc(C)sc3[N+](=O)[O-])C2)CC1 ZINC001348336647 874496087 /nfs/dbraw/zinc/49/60/87/874496087.db2.gz KCVJVBYAKKJWMA-UHFFFAOYSA-N 1 0 310.423 1.791 20 5 DDBDRO CC[NH+](CC)CC[C@H](C)Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC001348685865 874712562 /nfs/dbraw/zinc/71/25/62/874712562.db2.gz RMRMCGFOGKSWBJ-JTQLQIEISA-N 1 0 309.370 1.621 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1C[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC001348954250 874893779 /nfs/dbraw/zinc/89/37/79/874893779.db2.gz IMNVEJUEFSEOIL-OCCSQVGLSA-N 1 0 303.362 1.988 20 5 DDBDRO CCOC(=O)c1cc(C[NH2+]CCc2cccc([N+](=O)[O-])c2)[nH]n1 ZINC001349410359 875158651 /nfs/dbraw/zinc/15/86/51/875158651.db2.gz URTMYRFUHKVZFH-UHFFFAOYSA-N 1 0 318.333 1.827 20 5 DDBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]CC[C@@]1(O)CCOC1 ZINC000404221984 877013693 /nfs/dbraw/zinc/01/36/93/877013693.db2.gz YOULSLXWPCMCSL-CYBMUJFWSA-N 1 0 300.742 1.879 20 5 DDBDRO O=C(NC[C@H]1C[NH2+]CCC1(F)F)c1cc(F)ccc1[N+](=O)[O-] ZINC001353175367 877161594 /nfs/dbraw/zinc/16/15/94/877161594.db2.gz OYQNRGWHLXEWEF-MRVPVSSYSA-N 1 0 317.267 1.709 20 5 DDBDRO CN1CCCC[C@H]1C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC001353259721 877216855 /nfs/dbraw/zinc/21/68/55/877216855.db2.gz KJBICDVULAKXEJ-LSDHHAIUSA-N 1 0 323.393 1.408 20 5 DDBDRO CCn1c([C@@H](C)[N+](=O)[O-])nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001356351073 879009173 /nfs/dbraw/zinc/00/91/73/879009173.db2.gz HLRKSDJGSALRBD-OLZOCXBDSA-N 1 0 322.413 1.700 20 5 DDBDRO C[C@@H](NC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC001357583899 880068658 /nfs/dbraw/zinc/06/86/58/880068658.db2.gz YNDVFFLRRVJVMM-PVXIVEMSSA-N 1 0 318.377 1.907 20 5 DDBDRO C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC001358070104 880313765 /nfs/dbraw/zinc/31/37/65/880313765.db2.gz GCBHCAAPMLSETN-BXUZGUMPSA-N 1 0 318.377 1.533 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NCC[C@@H]1C[NH2+]C[C@H]1C ZINC001358082776 880320399 /nfs/dbraw/zinc/32/03/99/880320399.db2.gz BKWNSVVSSHSHBN-GHMZBOCLSA-N 1 0 307.350 1.579 20 5 DDBDRO C[NH+]1CCC(O[C@H](C[N+](=O)[O-])c2ccc3c(c2)OCO3)CC1 ZINC001222508886 880523422 /nfs/dbraw/zinc/52/34/22/880523422.db2.gz DWTQQGGBBQHDMT-OAHLLOKOSA-N 1 0 308.334 1.844 20 5 DDBDRO COC(=O)c1cc(O[C@H](C)C[N+](C)(C)C)cc(C(=O)OC)c1 ZINC001228439335 883497964 /nfs/dbraw/zinc/49/79/64/883497964.db2.gz HOTGKVMEQNEIOI-LLVKDONJSA-N 1 0 310.370 1.733 20 5 DDBDRO Cc1cccc2c1ccnc2OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001229044420 883788487 /nfs/dbraw/zinc/78/84/87/883788487.db2.gz RZFGQSCMILWPIK-CYBMUJFWSA-N 1 0 303.382 1.906 20 5 DDBDRO Cc1cccc2c(OC(=O)C[C@@H](O)C[N+](C)(C)C)ncnc12 ZINC001230817070 884921262 /nfs/dbraw/zinc/92/12/62/884921262.db2.gz PFAVPDCOUFPSFO-GFCCVEGCSA-N 1 0 304.370 1.301 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cc(=O)oc2ccc(F)cc12 ZINC001231177336 885326922 /nfs/dbraw/zinc/32/69/22/885326922.db2.gz PGOVIZNOWLRLBR-LLVKDONJSA-N 1 0 324.328 1.295 20 5 DDBDRO CC[N@@H+]1CC[C@H](Oc2cc(N3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC001234361136 887904725 /nfs/dbraw/zinc/90/47/25/887904725.db2.gz ZJVOHBQQUTYRQP-AWEZNQCLSA-N 1 0 321.377 1.904 20 5 DDBDRO COc1c(C)ccc(F)c1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001234937560 888259287 /nfs/dbraw/zinc/25/92/87/888259287.db2.gz HTNKOUWLGQASTB-LLVKDONJSA-N 1 0 300.350 1.505 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC(N[C@@H]3C[NH2+]CC[C@@H]3F)CC2)cc1 ZINC001246478950 892647796 /nfs/dbraw/zinc/64/77/96/892647796.db2.gz ZSGFCYMZPPTGAQ-JKSUJKDBSA-N 1 0 322.384 1.853 20 5 DDBDRO C[C@@H]1C[NH2+]CC[C@H]1c1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001249146243 893844103 /nfs/dbraw/zinc/84/41/03/893844103.db2.gz BFVJFTYWANSDQY-VXNVDRBHSA-N 1 0 307.285 1.892 20 5 DDBDRO O=C1CC[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CN1 ZINC001254466216 896454072 /nfs/dbraw/zinc/45/40/72/896454072.db2.gz YXJFNVAOOHRQOJ-CYBMUJFWSA-N 1 0 318.377 1.432 20 5 DDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@]1(C)CCS(=O)(=O)C1 ZINC001254541988 896496073 /nfs/dbraw/zinc/49/60/73/896496073.db2.gz KHVZXXDYLMDFPQ-SMDDNHRTSA-N 1 0 312.391 1.693 20 5 DDBDRO COC(=O)CCC(=O)C[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254581444 896512937 /nfs/dbraw/zinc/51/29/37/896512937.db2.gz KONDVEUWITWPGF-GFCCVEGCSA-N 1 0 306.318 1.174 20 5 DDBDRO CC(C)(C)NC(=O)CC[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254580519 896514160 /nfs/dbraw/zinc/51/41/60/896514160.db2.gz GECJURCJJZZVRJ-CYBMUJFWSA-N 1 0 305.378 1.956 20 5 DDBDRO O=C1CC[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C[C@@H]2CCCN12 ZINC001254605311 896527051 /nfs/dbraw/zinc/52/70/51/896527051.db2.gz BDLKYZGGFSAPOD-JKSUJKDBSA-N 1 0 315.373 1.759 20 5 DDBDRO COC(=O)c1cnc(N2CC[NH+](C(C)(C)C)CC2)c([N+](=O)[O-])c1 ZINC001255670570 897082046 /nfs/dbraw/zinc/08/20/46/897082046.db2.gz KOVREQUDRNUMTG-UHFFFAOYSA-N 1 0 322.365 1.697 20 5 DDBDRO COc1cc(N2CCC([NH2+]CC3(O)CC3)CC2)ccc1[N+](=O)[O-] ZINC001256083240 897279700 /nfs/dbraw/zinc/27/97/00/897279700.db2.gz NOEPHBIXTKPMAU-UHFFFAOYSA-N 1 0 321.377 1.687 20 5 DDBDRO COC(=O)c1cccc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)c1 ZINC001256401165 897422861 /nfs/dbraw/zinc/42/28/61/897422861.db2.gz DSMDMASZZWSBES-UHFFFAOYSA-N 1 0 304.306 1.368 20 5 DDBDRO O=C(/C=C\[C@H]1CCC[NH2+]C1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001262007618 899895342 /nfs/dbraw/zinc/89/53/42/899895342.db2.gz MBJMCLWBABGMDT-GCLPIYDQSA-N 1 0 301.346 1.993 20 5 DDBDRO O=C1C[C@@H](C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CN1C1CC1 ZINC001262011550 899895573 /nfs/dbraw/zinc/89/55/73/899895573.db2.gz PHZUQNBSISEUOT-ZBOXLXRLSA-N 1 0 319.365 1.095 20 5 DDBDRO Cn1cc([C@H](O)C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])cn1 ZINC001262362420 900133694 /nfs/dbraw/zinc/13/36/94/900133694.db2.gz QCHXLMYVBSGZKP-CYBMUJFWSA-N 1 0 310.741 1.805 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H](C[NH3+])[C@H](C)C2)c1 ZINC001263213723 900536456 /nfs/dbraw/zinc/53/64/56/900536456.db2.gz BVXUMGVKVFGPBF-GHMZBOCLSA-N 1 0 307.350 1.660 20 5 DDBDRO COC[C@H](C)OC[C@H](O)C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000278442469 214156481 /nfs/dbraw/zinc/15/64/81/214156481.db2.gz WKHUCHBOKGRWHE-YNEHKIRRSA-N 1 0 312.366 1.658 20 5 DDBDRO CC[C@H](O)C[NH+]1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000278535222 214218202 /nfs/dbraw/zinc/21/82/02/214218202.db2.gz UOBRTFHZICVUMN-LBPRGKRZSA-N 1 0 319.365 1.364 20 5 DDBDRO CO[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000451631440 231143967 /nfs/dbraw/zinc/14/39/67/231143967.db2.gz LHQUFDACERGVOL-YRGRVCCFSA-N 1 0 310.350 1.492 20 5 DDBDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1c1ncccc1[N+](=O)[O-] ZINC000278773011 214391134 /nfs/dbraw/zinc/39/11/34/214391134.db2.gz OPSCMGPOXAVDLG-LBPRGKRZSA-N 1 0 306.366 1.679 20 5 DDBDRO CCc1n[nH]c(C(=O)N(C)[C@H]2CC[N@@H+](CC)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000444260993 529465310 /nfs/dbraw/zinc/46/53/10/529465310.db2.gz PYIDFOUHGSIRQS-QWRGUYRKSA-N 1 0 323.397 1.825 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C3CC3)C[C@H](C)C2)n1 ZINC000452173050 231324205 /nfs/dbraw/zinc/32/42/05/231324205.db2.gz LVZPTVKMRNOAJE-NSHDSACASA-N 1 0 321.381 1.368 20 5 DDBDRO CC[C@@H]([NH3+])CNC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000418717347 529559155 /nfs/dbraw/zinc/55/91/55/529559155.db2.gz HDQLPGVMYPUUKJ-GFCCVEGCSA-N 1 0 321.381 1.164 20 5 DDBDRO CCc1ccc(OC[C@@H](O)CN2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000414143220 529695381 /nfs/dbraw/zinc/69/53/81/529695381.db2.gz INJNCXOXDVRIGJ-AWEZNQCLSA-N 1 0 323.393 1.144 20 5 DDBDRO Cc1nn(C)c(N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)c1[N+](=O)[O-] ZINC000301324761 282272445 /nfs/dbraw/zinc/27/24/45/282272445.db2.gz ACWCFPCQNVDJRL-RWMBFGLXSA-N 1 0 305.382 1.557 20 5 DDBDRO CC[C@@H]([NH2+]CCCN1C(=O)CNC1=O)c1cccc([N+](=O)[O-])c1 ZINC000181547487 199314624 /nfs/dbraw/zinc/31/46/24/199314624.db2.gz JOZYEQJNYLJPPE-CYBMUJFWSA-N 1 0 320.349 1.577 20 5 DDBDRO O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])N1CC[C@]2(CC[NH2+]C2)C1 ZINC000159103591 290752594 /nfs/dbraw/zinc/75/25/94/290752594.db2.gz YTDHVJPOVHMTGM-ICTCPBKTSA-N 1 0 319.336 1.959 20 5 DDBDRO COC(=O)c1cc(C)nc(N(C)CC[N@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000286894637 219213949 /nfs/dbraw/zinc/21/39/49/219213949.db2.gz OUXOGQGFJQJCJW-UHFFFAOYSA-N 1 0 322.365 1.615 20 5 DDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000420442617 302384791 /nfs/dbraw/zinc/38/47/91/302384791.db2.gz PVVSEALDIYWBHB-RKDXNWHRSA-N 1 0 301.368 1.171 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H]([C@H](C)O)C1 ZINC000272609436 210009509 /nfs/dbraw/zinc/00/95/09/210009509.db2.gz SDKVKSJVSJUMLD-QWHCGFSZSA-N 1 0 321.377 1.935 20 5 DDBDRO CC1(O)CC[NH+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000182007776 199373656 /nfs/dbraw/zinc/37/36/56/199373656.db2.gz QPEREBGOLGLGOF-LBPRGKRZSA-N 1 0 310.350 1.181 20 5 DDBDRO COCC[N@@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])cnc2C)CC1 ZINC000048427494 352538834 /nfs/dbraw/zinc/53/88/34/352538834.db2.gz HCSDRVCTBXEEEL-UHFFFAOYSA-N 1 0 322.365 1.093 20 5 DDBDRO CC[NH+](CC)CCCNc1nc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000287030468 219278476 /nfs/dbraw/zinc/27/84/76/219278476.db2.gz QWLZTMOHAABEFM-UHFFFAOYSA-N 1 0 310.354 1.920 20 5 DDBDRO C[NH+](C)C[C@]1(O)CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000601226082 358455227 /nfs/dbraw/zinc/45/52/27/358455227.db2.gz QAYWITMWSUUMMM-OAHLLOKOSA-N 1 0 322.365 1.515 20 5 DDBDRO CCC([NH3+])(CC)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000133471893 185988038 /nfs/dbraw/zinc/98/80/38/185988038.db2.gz IMXAOQRQFREDQP-UHFFFAOYSA-N 1 0 301.368 1.391 20 5 DDBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000601227820 358455911 /nfs/dbraw/zinc/45/59/11/358455911.db2.gz WPPMBDMHPGURDE-MFKMUULPSA-N 1 0 320.349 1.084 20 5 DDBDRO C[NH+](C)C[C@@](C)(O)CNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000152606143 186088835 /nfs/dbraw/zinc/08/88/35/186088835.db2.gz HLXSHIDWGCZIOJ-ZDUSSCGKSA-N 1 0 315.757 1.291 20 5 DDBDRO C[C@@H]1CN(Cc2csc([N+](=O)[O-])c2)CC[N@@H+]1CC(C)(C)O ZINC000189934945 186251827 /nfs/dbraw/zinc/25/18/27/186251827.db2.gz USDGHNLPZYFILW-LLVKDONJSA-N 1 0 313.423 1.933 20 5 DDBDRO Cc1n[nH]c(C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000265988620 186350025 /nfs/dbraw/zinc/35/00/25/186350025.db2.gz MCRHJEZBCNONIT-NSHDSACASA-N 1 0 307.354 1.184 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCCOCC[NH+](C)C ZINC000355599294 290943741 /nfs/dbraw/zinc/94/37/41/290943741.db2.gz NMUITGBPSVFUGL-UHFFFAOYSA-N 1 0 324.381 1.911 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)n1 ZINC000617422562 363098476 /nfs/dbraw/zinc/09/84/76/363098476.db2.gz SVOQIUMIDWSDMF-LLVKDONJSA-N 1 0 309.370 1.414 20 5 DDBDRO Cc1c(NC(=O)CC[N@@H+]2CCC[C@H](O)C2)cccc1[N+](=O)[O-] ZINC000041886315 352317175 /nfs/dbraw/zinc/31/71/75/352317175.db2.gz WXVBURMFQPYVBI-LBPRGKRZSA-N 1 0 307.350 1.689 20 5 DDBDRO CC[NH+](CC)[C@@H](C)CNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000041911467 352317984 /nfs/dbraw/zinc/31/79/84/352317984.db2.gz OJVYFKKJPUWYQA-LBPRGKRZSA-N 1 0 309.366 1.820 20 5 DDBDRO O=C(COc1ccccc1[N+](=O)[O-])N1CC[NH+](CC2CC2)CC1 ZINC000055668718 352740513 /nfs/dbraw/zinc/74/05/13/352740513.db2.gz NTQWMCYDCCZWQC-UHFFFAOYSA-N 1 0 319.361 1.528 20 5 DDBDRO CC[NH+]1CCC(CNC(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000067233134 353039740 /nfs/dbraw/zinc/03/97/40/353039740.db2.gz WQVXOFTWHFOWSJ-UHFFFAOYSA-N 1 0 309.370 1.030 20 5 DDBDRO CC(C)[NH+](CCNC(=O)CCn1cc([N+](=O)[O-])cn1)C(C)C ZINC000067284815 353042362 /nfs/dbraw/zinc/04/23/62/353042362.db2.gz KABCOPWMUFISRZ-UHFFFAOYSA-N 1 0 311.386 1.416 20 5 DDBDRO CC(C)[N@@H+]1CCCN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000068800548 353131534 /nfs/dbraw/zinc/13/15/34/353131534.db2.gz NRYLHEISFBAXBQ-UHFFFAOYSA-N 1 0 321.377 1.916 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCCc3ccccc3C2)c1 ZINC000173712826 198243144 /nfs/dbraw/zinc/24/31/44/198243144.db2.gz YNZWNYLWNZFDAY-INIZCTEOSA-N 1 0 316.361 1.601 20 5 DDBDRO O=C(/C=C\c1ccccc1[N+](=O)[O-])N1CC[NH+]2CCC1CC2 ZINC000492012486 234359614 /nfs/dbraw/zinc/35/96/14/234359614.db2.gz YZGOTUKFNWTPPA-WAYWQWQTSA-N 1 0 301.346 1.915 20 5 DDBDRO C[C@@H](O)CN1CCN(C(=O)c2ccc([N+](=O)[O-])s2)C[C@@H]1C ZINC000174285428 198314799 /nfs/dbraw/zinc/31/47/99/198314799.db2.gz JODZZDRDUYNTDN-VHSXEESVSA-N 1 0 313.379 1.183 20 5 DDBDRO CN(CC(=O)NC[C@@H]1CCC[N@H+](C)C1)c1ccccc1[N+](=O)[O-] ZINC000080127678 353592920 /nfs/dbraw/zinc/59/29/20/353592920.db2.gz UNFDVFSHWBCPIZ-ZDUSSCGKSA-N 1 0 320.393 1.489 20 5 DDBDRO Cc1ccc(N2CCCN(CC[NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000080611820 353618257 /nfs/dbraw/zinc/61/82/57/353618257.db2.gz GZGOHDXOZDEQGH-UHFFFAOYSA-N 1 0 306.410 1.977 20 5 DDBDRO CC(C)[NH+]1CCC(N(C)CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000090524604 353795117 /nfs/dbraw/zinc/79/51/17/353795117.db2.gz QTNCXJWXAOOTHW-UHFFFAOYSA-N 1 0 322.409 1.561 20 5 DDBDRO O=C(Nc1ccncc1[N+](=O)[O-])N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000183584528 199616764 /nfs/dbraw/zinc/61/67/64/199616764.db2.gz XKHAPPQDYLQQMU-LBPRGKRZSA-N 1 0 319.365 1.939 20 5 DDBDRO O=[N+]([O-])c1cccc(CS(=O)(=O)NC[C@H]2CCCC[NH2+]2)c1 ZINC000130943075 354097934 /nfs/dbraw/zinc/09/79/34/354097934.db2.gz SPQWOSWHWOIAFQ-GFCCVEGCSA-N 1 0 313.379 1.156 20 5 DDBDRO [NH3+][C@H]1CCCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000346081980 283011144 /nfs/dbraw/zinc/01/11/44/283011144.db2.gz PVTXDQULNPQDSJ-NSHDSACASA-N 1 0 303.322 1.568 20 5 DDBDRO CC(C)[NH2+]C1CCN(c2nccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000357238290 291026865 /nfs/dbraw/zinc/02/68/65/291026865.db2.gz XINMFALWTDHMBH-UHFFFAOYSA-N 1 0 307.354 1.056 20 5 DDBDRO COC(=O)[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)C[C@H]1C ZINC000280788917 354423845 /nfs/dbraw/zinc/42/38/45/354423845.db2.gz QUZKNBNUZMGBNX-ZWNOBZJWSA-N 1 0 308.334 1.844 20 5 DDBDRO NC(=O)c1ccc(C[N@@H+]2CCC[C@@H](CO)CC2)c([N+](=O)[O-])c1 ZINC000293092925 354453907 /nfs/dbraw/zinc/45/39/07/354453907.db2.gz KMLIRUHSONPMPN-LLVKDONJSA-N 1 0 307.350 1.288 20 5 DDBDRO CS[C@@H]1CCC[C@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000300673338 354458472 /nfs/dbraw/zinc/45/84/72/354458472.db2.gz QEVFLMLPHOBPLW-WCFLWFBJSA-N 1 0 314.411 1.416 20 5 DDBDRO Cn1cc(C[NH2+]CC2(CO)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000304530938 354467366 /nfs/dbraw/zinc/46/73/66/354467366.db2.gz NCYPRHIJRGRJNY-UHFFFAOYSA-N 1 0 316.361 1.857 20 5 DDBDRO COc1cc(NCCN2CC[NH+](C)CC2)c([N+](=O)[O-])cc1C ZINC000320491255 354527319 /nfs/dbraw/zinc/52/73/19/354527319.db2.gz IHRMMAMGLHPEGU-UHFFFAOYSA-N 1 0 308.382 1.571 20 5 DDBDRO CNc1ccc(C(=O)N2CC[NH+](CC3CC3)CC2)cc1[N+](=O)[O-] ZINC000320834608 354529225 /nfs/dbraw/zinc/52/92/25/354529225.db2.gz AUODIXOKRWKBCH-UHFFFAOYSA-N 1 0 318.377 1.804 20 5 DDBDRO CCC1CCC(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000315132955 354491697 /nfs/dbraw/zinc/49/16/97/354491697.db2.gz VAKGJYBCTQWOFT-SSDMNJCBSA-N 1 0 310.398 1.958 20 5 DDBDRO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC[C@@H]1[NH3+] ZINC000584778884 354766241 /nfs/dbraw/zinc/76/62/41/354766241.db2.gz DGUJLINMNJYMFD-GWCFXTLKSA-N 1 0 314.345 1.952 20 5 DDBDRO Nc1cc(NC2CC[NH+](CC3CC3)CC2)cc(CO)c1[N+](=O)[O-] ZINC000587359119 354881854 /nfs/dbraw/zinc/88/18/54/354881854.db2.gz GBJHKXQXKVPVKB-UHFFFAOYSA-N 1 0 320.393 1.956 20 5 DDBDRO C[C@H](C[NH+]1CCCCC1)Nc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000587185669 354881898 /nfs/dbraw/zinc/88/18/98/354881898.db2.gz VWQDVVQSUREQNB-LLVKDONJSA-N 1 0 308.382 1.956 20 5 DDBDRO COCC[NH+]1CCC(Nc2cc(N)c([N+](=O)[O-])c(CO)c2)CC1 ZINC000587510300 354883090 /nfs/dbraw/zinc/88/30/90/354883090.db2.gz AHIAVPMSSKBLLK-UHFFFAOYSA-N 1 0 324.381 1.192 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH+]2CCC(CCO)CC2)c1 ZINC000589494519 354996244 /nfs/dbraw/zinc/99/62/44/354996244.db2.gz WFSQRNITMIOLOS-UHFFFAOYSA-N 1 0 322.361 1.976 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H]2C[C@H](O)C2(C)C)c1 ZINC000589515093 354998772 /nfs/dbraw/zinc/99/87/72/354998772.db2.gz XYBNAKWQFUGQQE-OLZOCXBDSA-N 1 0 308.334 1.630 20 5 DDBDRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000589941445 355033960 /nfs/dbraw/zinc/03/39/60/355033960.db2.gz INYUWYGNPWEOTJ-ZANVPECISA-N 1 0 308.313 1.902 20 5 DDBDRO Cc1c(Br)c(=O)n(C[C@H](C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000358843499 291052248 /nfs/dbraw/zinc/05/22/48/291052248.db2.gz UPPCFDXOKUGGBQ-ZETCQYMHSA-N 1 0 318.171 1.778 20 5 DDBDRO Cc1nn(CCC(=O)N2CC[C@H]([NH+](C)C)[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000590402896 355085495 /nfs/dbraw/zinc/08/54/95/355085495.db2.gz KGESMIYIAPGYRC-YPMHNXCESA-N 1 0 323.397 1.349 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([NH+](C)C)[C@H]1C ZINC000590404321 355086318 /nfs/dbraw/zinc/08/63/18/355086318.db2.gz YOEACOYIIQRNHY-ZWNOBZJWSA-N 1 0 307.350 1.768 20 5 DDBDRO C[N@@H+]1CCC[C@H](NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000590631901 355133637 /nfs/dbraw/zinc/13/36/37/355133637.db2.gz FFAQWNMULUELII-ZDUSSCGKSA-N 1 0 319.361 1.768 20 5 DDBDRO CC[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000590655896 355138515 /nfs/dbraw/zinc/13/85/15/355138515.db2.gz CRLUBNDLXSHCSK-TZMCWYRMSA-N 1 0 322.361 1.974 20 5 DDBDRO CC[C@H](C)[NH+]1CCN(c2cc(N)c([N+](=O)[O-])c(CO)c2)CC1 ZINC000590725995 355156823 /nfs/dbraw/zinc/15/68/23/355156823.db2.gz GUMRVYUOWMUNKY-NSHDSACASA-N 1 0 308.382 1.590 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2C[C@H](C)C[C@@H](CO)C2)c1 ZINC000591505242 355322224 /nfs/dbraw/zinc/32/22/24/355322224.db2.gz TUHUIZSJGQFRAO-VXGBXAGGSA-N 1 0 322.361 1.832 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)n1 ZINC000591651818 355353730 /nfs/dbraw/zinc/35/37/30/355353730.db2.gz XNKXLGVSHBKHAP-NSHDSACASA-N 1 0 321.381 1.415 20 5 DDBDRO C[C@@H]1C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC2(CCCC2)O1 ZINC000592196859 355532578 /nfs/dbraw/zinc/53/25/78/355532578.db2.gz ZBTSKBUMEQDYDC-OCCSQVGLSA-N 1 0 324.381 1.186 20 5 DDBDRO CC[C@H]1CN(C(=O)COc2ccccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000592331652 355561020 /nfs/dbraw/zinc/56/10/20/355561020.db2.gz LZYRGCSKUWNKAZ-NWDGAFQWSA-N 1 0 307.350 1.559 20 5 DDBDRO COc1ccc(CC(=O)N[C@@H]2CC[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC000592332287 355561243 /nfs/dbraw/zinc/56/12/43/355561243.db2.gz UXDCJCMKAWIXJZ-ZYHUDNBSSA-N 1 0 307.350 1.260 20 5 DDBDRO COc1cccc(C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)c1[N+](=O)[O-] ZINC000592244270 355546376 /nfs/dbraw/zinc/54/63/76/355546376.db2.gz GOAZRFDOKSUSEL-JQWIXIFHSA-N 1 0 305.334 1.427 20 5 DDBDRO CNc1ccc(C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)cc1[N+](=O)[O-] ZINC000592247074 355546796 /nfs/dbraw/zinc/54/67/96/355546796.db2.gz OURCBNYECPIEKR-GWCFXTLKSA-N 1 0 304.350 1.461 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592255461 355548272 /nfs/dbraw/zinc/54/82/72/355548272.db2.gz PSVIPLZWQYLDLQ-RYUDHWBXSA-N 1 0 321.381 1.180 20 5 DDBDRO CC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2OC)CC[C@H]1[NH3+] ZINC000592331044 355560455 /nfs/dbraw/zinc/56/04/55/355560455.db2.gz HHGZJHALSYJHRJ-GXFFZTMASA-N 1 0 307.350 1.803 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[NH2+]CC1(C)C ZINC000592473612 355592725 /nfs/dbraw/zinc/59/27/25/355592725.db2.gz GKZDQMMZNOVTAM-UHFFFAOYSA-N 1 0 320.393 1.916 20 5 DDBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000592393987 355574601 /nfs/dbraw/zinc/57/46/01/355574601.db2.gz LZIHODHDJQGQQE-DTWKUNHWSA-N 1 0 317.367 1.008 20 5 DDBDRO O=C(Cn1cc([N+](=O)[O-])cn1)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592555312 355627346 /nfs/dbraw/zinc/62/73/46/355627346.db2.gz XALJZNUKQPKQJG-STQMWFEESA-N 1 0 321.381 1.030 20 5 DDBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000592568455 355631764 /nfs/dbraw/zinc/63/17/64/355631764.db2.gz KJZWMVGHZFHVFR-RKDXNWHRSA-N 1 0 309.322 1.222 20 5 DDBDRO O=C(CNc1ccccc1[N+](=O)[O-])N[C@@H]1CC[NH2+]C12CCCC2 ZINC000592571412 355633483 /nfs/dbraw/zinc/63/34/83/355633483.db2.gz ZVHSYONQQBKLCL-CQSZACIVSA-N 1 0 318.377 1.798 20 5 DDBDRO CC(C)O[C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000593055711 355781169 /nfs/dbraw/zinc/78/11/69/355781169.db2.gz NEUBJXSYZHWDBN-CQSZACIVSA-N 1 0 309.366 1.646 20 5 DDBDRO CN(CC[NH+]1CCCCC1)c1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000593515300 355909734 /nfs/dbraw/zinc/90/97/34/355909734.db2.gz FNKXKSKJKYEOSH-UHFFFAOYSA-N 1 0 308.382 1.591 20 5 DDBDRO COc1ccc(C[NH2+]CC[C@@]2(O)CCCOC2)cc1[N+](=O)[O-] ZINC000593688511 355967311 /nfs/dbraw/zinc/96/73/11/355967311.db2.gz VTEGBDSXWQCNFF-HNNXBMFYSA-N 1 0 310.350 1.625 20 5 DDBDRO Cc1nn(C)c(C(=O)NCc2ccc(C[NH3+])cc2F)c1[N+](=O)[O-] ZINC000593916553 356058803 /nfs/dbraw/zinc/05/88/03/356058803.db2.gz QOKRPOHQSJDZGD-UHFFFAOYSA-N 1 0 321.312 1.165 20 5 DDBDRO C[C@@H](C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)[NH+]1CC(C)C1 ZINC000594337501 356175869 /nfs/dbraw/zinc/17/58/69/356175869.db2.gz WHYZASBFLFJIID-LBPRGKRZSA-N 1 0 303.362 1.820 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000595223828 356411416 /nfs/dbraw/zinc/41/14/16/356411416.db2.gz BMFLHRHDRSCLIW-VXGBXAGGSA-N 1 0 321.381 1.323 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC2CC1(C[NH3+])C2 ZINC000595233532 356413793 /nfs/dbraw/zinc/41/37/93/356413793.db2.gz PDJOFZTUSSNYRX-UHFFFAOYSA-N 1 0 306.322 1.558 20 5 DDBDRO C[NH2+]C[C@@H](C)NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000595263990 356425274 /nfs/dbraw/zinc/42/52/74/356425274.db2.gz GSRAPMHLOCPFQY-SECBINFHSA-N 1 0 314.773 1.698 20 5 DDBDRO CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000595193280 356404300 /nfs/dbraw/zinc/40/43/00/356404300.db2.gz RUTDYVREINBROX-GFCCVEGCSA-N 1 0 320.349 1.134 20 5 DDBDRO CO[C@H](C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1)C1CCC1 ZINC000595523068 356532810 /nfs/dbraw/zinc/53/28/10/356532810.db2.gz GXBZFHJGYQHSIB-OAHLLOKOSA-N 1 0 320.393 1.927 20 5 DDBDRO CNC(=O)[C@@H](C)C[N@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000081579878 192295458 /nfs/dbraw/zinc/29/54/58/192295458.db2.gz SWCXIPBGAUJXEB-LBPRGKRZSA-N 1 0 309.366 1.678 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC1(O)CCOCC1 ZINC000236840075 202033509 /nfs/dbraw/zinc/03/35/09/202033509.db2.gz UTXNLUJZYLIFPF-UHFFFAOYSA-N 1 0 310.350 1.625 20 5 DDBDRO CCCC[C@@H](C[NH3+])NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000236864534 202043539 /nfs/dbraw/zinc/04/35/39/202043539.db2.gz REWHNNQSBRZITE-JTQLQIEISA-N 1 0 310.310 1.750 20 5 DDBDRO CCOc1cc(C(=O)N2CCC[NH2+]CC2)c([N+](=O)[O-])cc1OC ZINC000236884335 202051170 /nfs/dbraw/zinc/05/11/70/202051170.db2.gz BKBOOWQEVMHJTP-UHFFFAOYSA-N 1 0 323.349 1.438 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](CO)C1CCC1 ZINC000595618042 356580218 /nfs/dbraw/zinc/58/02/18/356580218.db2.gz WNVARTBKOMRPNW-OAHLLOKOSA-N 1 0 321.377 1.982 20 5 DDBDRO Cn1cc(C[C@H]2CCC[C@H]2[NH2+]CCn2ccc([N+](=O)[O-])n2)cn1 ZINC000595768664 356645155 /nfs/dbraw/zinc/64/51/55/356645155.db2.gz FZWSQGGVBDJWCR-ZIAGYGMSSA-N 1 0 318.381 1.526 20 5 DDBDRO O=C(C[NH2+][C@@H]1C[C@@H](O)C12CCC2)Nc1ccccc1[N+](=O)[O-] ZINC000595779294 356648729 /nfs/dbraw/zinc/64/87/29/356648729.db2.gz BXODZMUNKKERCN-CHWSQXEVSA-N 1 0 305.334 1.426 20 5 DDBDRO C[C@]12COC[C@H]1C[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C2 ZINC000595754984 356637692 /nfs/dbraw/zinc/63/76/92/356637692.db2.gz DOMQTFNESKNIKO-INWMFGNUSA-N 1 0 322.361 1.303 20 5 DDBDRO C[C@H]([NH2+][C@@H]1C[C@@H](O)C12CCC2)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000595783629 356650918 /nfs/dbraw/zinc/65/09/18/356650918.db2.gz SIQRHYQFYJEKIE-ZLKJLUDKSA-N 1 0 319.361 1.815 20 5 DDBDRO CN(CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)CC(C)(C)[NH3+] ZINC000595899976 356696756 /nfs/dbraw/zinc/69/67/56/356696756.db2.gz XCLODMDKTMZRQS-UHFFFAOYSA-N 1 0 322.365 1.562 20 5 DDBDRO CC1(C)CC[NH2+][C@@H]1C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000595953127 356720561 /nfs/dbraw/zinc/72/05/61/356720561.db2.gz FUHYGMGAKAFJJT-CYBMUJFWSA-N 1 0 304.350 1.263 20 5 DDBDRO C[C@@H]1CCCN(C(=O)c2c([N+](=O)[O-])cnn2C)[C@@H]1CCC[NH3+] ZINC000595974422 356731946 /nfs/dbraw/zinc/73/19/46/356731946.db2.gz WXEVGNYFZDBPPH-GHMZBOCLSA-N 1 0 309.370 1.308 20 5 DDBDRO CC1(C)[C@@H](C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1(F)F ZINC000596066033 356759366 /nfs/dbraw/zinc/75/93/66/356759366.db2.gz NWFJRFXQFZIAPL-NXEZZACHSA-N 1 0 304.297 1.033 20 5 DDBDRO COc1cccc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1C ZINC000596070739 356761150 /nfs/dbraw/zinc/76/11/50/356761150.db2.gz SXUVMVSNGRXPMJ-AWEZNQCLSA-N 1 0 320.349 1.259 20 5 DDBDRO C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)C[N@@H+]1C1CC1 ZINC000596155927 356794782 /nfs/dbraw/zinc/79/47/82/356794782.db2.gz LMIOSNNLWHJNBY-MWLCHTKSSA-N 1 0 304.350 1.731 20 5 DDBDRO C[NH2+]C[C@@H]1CCCN(C(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000237175728 202177196 /nfs/dbraw/zinc/17/71/96/202177196.db2.gz IXIJICBVAJDWQD-LBPRGKRZSA-N 1 0 307.350 1.432 20 5 DDBDRO C[N@@H+]1CC[C@H]2CCN(c3ccc([N+](=O)[O-])c(C(N)=O)c3)[C@H]2C1 ZINC000596189723 356807119 /nfs/dbraw/zinc/80/71/19/356807119.db2.gz QGHLRECYVULPHF-HZMBPMFUSA-N 1 0 304.350 1.224 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000237189955 202183290 /nfs/dbraw/zinc/18/32/90/202183290.db2.gz GXMGXNGTZUBHQN-GHMZBOCLSA-N 1 0 307.350 1.803 20 5 DDBDRO C[NH2+]C[C@H]1CCCN1C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000237217588 202193468 /nfs/dbraw/zinc/19/34/68/202193468.db2.gz YISGRVZSWZBBHA-OAHLLOKOSA-N 1 0 320.393 1.997 20 5 DDBDRO CC(C)(C)[N@@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000596334535 356860198 /nfs/dbraw/zinc/86/01/98/356860198.db2.gz BIOMOBGIIRDYHU-SECBINFHSA-N 1 0 307.354 1.373 20 5 DDBDRO Cc1cnc(N2CCO[C@@H](CCC[NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000596564666 356918824 /nfs/dbraw/zinc/91/88/24/356918824.db2.gz AEKHKJLJDNYAMK-ZDUSSCGKSA-N 1 0 308.382 1.845 20 5 DDBDRO Cc1ccc(CN2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1[N+](=O)[O-] ZINC000597237410 357105574 /nfs/dbraw/zinc/10/55/74/357105574.db2.gz ZWZVAIHQTSAOTD-MRXNPFEDSA-N 1 0 319.405 1.934 20 5 DDBDRO COC(=O)COc1ccc(C[N@@H+]2CC[C@H]3C[C@H]3C2)cc1[N+](=O)[O-] ZINC000597223815 357100464 /nfs/dbraw/zinc/10/04/64/357100464.db2.gz UBBHKKQLORKJOJ-STQMWFEESA-N 1 0 320.345 1.988 20 5 DDBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000597701598 357292108 /nfs/dbraw/zinc/29/21/08/357292108.db2.gz VBPNOEWTJVDKSX-KOLCDFICSA-N 1 0 321.333 1.488 20 5 DDBDRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000597856856 357359766 /nfs/dbraw/zinc/35/97/66/357359766.db2.gz BJQOLYIXFJQOTR-ZDUSSCGKSA-N 1 0 321.377 1.963 20 5 DDBDRO COc1cc(C(=O)NCC[C@H](C)[NH+](C)C)c([N+](=O)[O-])cc1F ZINC000597992019 357408856 /nfs/dbraw/zinc/40/88/56/357408856.db2.gz IMFRZEINAIIULS-VIFPVBQESA-N 1 0 313.329 1.813 20 5 DDBDRO Cc1nn(C)c(C(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000598261929 357512215 /nfs/dbraw/zinc/51/22/15/357512215.db2.gz ITEOARMYGHSRRE-NSHDSACASA-N 1 0 323.397 1.487 20 5 DDBDRO CN(CC1C[NH+](C)C1)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000598162967 357478545 /nfs/dbraw/zinc/47/85/45/357478545.db2.gz LNIXNCPEASNGMM-UHFFFAOYSA-N 1 0 302.334 1.710 20 5 DDBDRO C[C@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H]1CO ZINC000598646908 357668587 /nfs/dbraw/zinc/66/85/87/357668587.db2.gz AVPAXNZJYHFJBK-GWCFXTLKSA-N 1 0 307.350 1.144 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[NH2+][C@H](C(C)C)C1 ZINC000598569699 357635697 /nfs/dbraw/zinc/63/56/97/357635697.db2.gz CSKIYBCLTANCEI-ZDUSSCGKSA-N 1 0 307.350 1.673 20 5 DDBDRO CNc1ccc(C(=O)N2CC[NH2+][C@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000598574907 357637822 /nfs/dbraw/zinc/63/78/22/357637822.db2.gz MHHXYERSEDROFR-ZDUSSCGKSA-N 1 0 306.366 1.707 20 5 DDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000598680452 357684839 /nfs/dbraw/zinc/68/48/39/357684839.db2.gz BWNSGVKLMZPVSO-WQGACYEGSA-N 1 0 318.377 1.735 20 5 DDBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000598680799 357684933 /nfs/dbraw/zinc/68/49/33/357684933.db2.gz DIVCZJXYQZUXHK-HSMVNMDESA-N 1 0 318.377 1.735 20 5 DDBDRO Cc1ccc(S(=O)(=O)N(C)C2CC([NH3+])C2)c(C)c1[N+](=O)[O-] ZINC000598716182 357701774 /nfs/dbraw/zinc/70/17/74/357701774.db2.gz ZMIQTWDQHOAAEL-UHFFFAOYSA-N 1 0 313.379 1.322 20 5 DDBDRO [NH3+]CC1(O)CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000598915751 357757728 /nfs/dbraw/zinc/75/77/28/357757728.db2.gz NVNQJRQVRKTIFI-UHFFFAOYSA-N 1 0 312.301 1.051 20 5 DDBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCN1CC[C@H](O)C1 ZINC000599019677 357795312 /nfs/dbraw/zinc/79/53/12/357795312.db2.gz UBESDLMWCICDCP-OVHOFWQVSA-N 1 0 305.378 1.654 20 5 DDBDRO CCOc1ccc([C@@H](C)[NH2+]CCN2CC[C@H](O)C2)cc1[N+](=O)[O-] ZINC000599094341 357814458 /nfs/dbraw/zinc/81/44/58/357814458.db2.gz UILYBRRFSYGYAP-OCCSQVGLSA-N 1 0 323.393 1.711 20 5 DDBDRO COC(=O)c1cc(NCC[N@@H+]2CC[C@@H](O)C2)cc(C)c1[N+](=O)[O-] ZINC000599176761 357840526 /nfs/dbraw/zinc/84/05/26/357840526.db2.gz WXFUCCUVFZSSPY-GFCCVEGCSA-N 1 0 323.349 1.168 20 5 DDBDRO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000599625011 357997319 /nfs/dbraw/zinc/99/73/19/357997319.db2.gz KVOYVURSXYISDY-HCBXJVOMSA-N 1 0 324.377 1.736 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NCC1([NH3+])CCOCC1 ZINC000599603379 357990139 /nfs/dbraw/zinc/99/01/39/357990139.db2.gz FJCKAONZXNKMKK-UHFFFAOYSA-N 1 0 308.338 1.533 20 5 DDBDRO C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000599622396 357995514 /nfs/dbraw/zinc/99/55/14/357995514.db2.gz BPLIXVOPTLYSHP-RSQPEXBXSA-N 1 0 307.350 1.935 20 5 DDBDRO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000599625015 357996855 /nfs/dbraw/zinc/99/68/55/357996855.db2.gz KVOYVURSXYISDY-WGPBJTTCSA-N 1 0 324.377 1.736 20 5 DDBDRO CN(C(=O)C[N@@H+]1CC[C@@H]2CC[C@@H](O)[C@@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000599682029 358023083 /nfs/dbraw/zinc/02/30/83/358023083.db2.gz VNGFRGDIKQECKI-SGIREYDYSA-N 1 0 319.361 1.403 20 5 DDBDRO C[C@H]1CC[C@H](NC(=O)NCCOc2ccc([N+](=O)[O-])cc2)C[NH2+]1 ZINC000599924764 358081980 /nfs/dbraw/zinc/08/19/80/358081980.db2.gz OXHOLJNKTBLYDR-RYUDHWBXSA-N 1 0 322.365 1.413 20 5 DDBDRO O=[N+]([O-])c1cc2c(cc1CN[C@H]1CC[NH2+]C13CCC3)OCCO2 ZINC000600678953 358281143 /nfs/dbraw/zinc/28/11/43/358281143.db2.gz QSANQJCAWBYKAU-HNNXBMFYSA-N 1 0 319.361 1.740 20 5 DDBDRO O=c1[nH]cccc1C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000600760526 358310231 /nfs/dbraw/zinc/31/02/31/358310231.db2.gz VIKQNKFXYWDWPV-LBPRGKRZSA-N 1 0 319.317 1.225 20 5 DDBDRO O=[N+]([O-])c1ccccc1OCc1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000600972761 358364774 /nfs/dbraw/zinc/36/47/74/358364774.db2.gz DSDONZIYVQTZMA-NSHDSACASA-N 1 0 303.322 1.517 20 5 DDBDRO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CCC([NH+](C)C)CC1 ZINC000601104115 358404063 /nfs/dbraw/zinc/40/40/63/358404063.db2.gz PZOMHUVGKWFTNY-UHFFFAOYSA-N 1 0 321.303 1.878 20 5 DDBDRO COCC[N@@H+]1CC[C@@H](NC(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000601125507 358412227 /nfs/dbraw/zinc/41/22/27/358412227.db2.gz NOIFZAXJHDYEJY-SNVBAGLBSA-N 1 0 311.313 1.184 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(c3nc4sccn4c3[N+](=O)[O-])C[C@@H]2C1 ZINC000601184356 358437631 /nfs/dbraw/zinc/43/76/31/358437631.db2.gz KUEGKEPTPSACGT-ZJUUUORDSA-N 1 0 307.379 1.692 20 5 DDBDRO Cc1cc(S(=O)(=O)NCC[C@H](C)[NH+](C)C)c([N+](=O)[O-])s1 ZINC000601465804 358565528 /nfs/dbraw/zinc/56/55/28/358565528.db2.gz ZKHGISBGGHZNQH-QMMMGPOBSA-N 1 0 321.424 1.583 20 5 DDBDRO O=C(Cc1ccccc1[N+](=O)[O-])N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000601557860 358599930 /nfs/dbraw/zinc/59/99/30/358599930.db2.gz OVFXKEPMNFIIIW-ZIAGYGMSSA-N 1 0 303.362 1.738 20 5 DDBDRO CC1([NH+]2CCCC2)CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000601739078 358672750 /nfs/dbraw/zinc/67/27/50/358672750.db2.gz LLJLPIJVMZUVPP-UHFFFAOYSA-N 1 0 321.381 1.268 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)c1 ZINC000601976151 358761953 /nfs/dbraw/zinc/76/19/53/358761953.db2.gz NQCNYNHENRTHPQ-IYBDPMFKSA-N 1 0 319.361 1.675 20 5 DDBDRO O=[N+]([O-])c1ccccc1N1CCN(CC23CC(C2)C[NH2+]3)CC1 ZINC000602018294 358778526 /nfs/dbraw/zinc/77/85/26/358778526.db2.gz YIEOZOIJIOMSJH-UHFFFAOYSA-N 1 0 302.378 1.469 20 5 DDBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C1(C[NH+](C)C)CC1 ZINC000602149790 358848924 /nfs/dbraw/zinc/84/89/24/358848924.db2.gz CUPDQVGQBPWUOU-UHFFFAOYSA-N 1 0 305.378 1.938 20 5 DDBDRO O=C(NC[C@@H]1C[NH2+]CCO1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000602511406 359020049 /nfs/dbraw/zinc/02/00/49/359020049.db2.gz RBKZMXOKPQIDPE-AWEZNQCLSA-N 1 0 319.361 1.121 20 5 DDBDRO CCCNC(=O)[C@H]1CCC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602455890 358989250 /nfs/dbraw/zinc/98/92/50/358989250.db2.gz ZCBBORNLBMGDSI-NSHDSACASA-N 1 0 309.370 1.067 20 5 DDBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)c3c(F)cccc3[N+](=O)[O-])C[C@@H]21 ZINC000602481953 359007232 /nfs/dbraw/zinc/00/72/32/359007232.db2.gz CHLZNUKYHWVTOZ-JFGNBEQYSA-N 1 0 307.325 1.933 20 5 DDBDRO CCOC(=O)CC[C@H]1CCC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602483275 359008959 /nfs/dbraw/zinc/00/89/59/359008959.db2.gz FZGWVILPTIHFJM-GFCCVEGCSA-N 1 0 324.381 1.884 20 5 DDBDRO O=[N+]([O-])c1ccc(CC[NH2+]CC2(N3CCOCC3)CC2)cc1 ZINC000602633077 359088002 /nfs/dbraw/zinc/08/80/02/359088002.db2.gz KSEDZRWRPMAFLX-UHFFFAOYSA-N 1 0 305.378 1.592 20 5 DDBDRO COc1cc(C(=O)N2CCCCC[C@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000602577709 359052154 /nfs/dbraw/zinc/05/21/54/359052154.db2.gz JOESFQCJPCJJKN-LBPRGKRZSA-N 1 0 307.350 1.947 20 5 DDBDRO COc1cc(C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)cc([N+](=O)[O-])c1C ZINC000602590407 359059132 /nfs/dbraw/zinc/05/91/32/359059132.db2.gz HHNCOQCBJVQFKG-TXEJJXNPSA-N 1 0 305.334 1.488 20 5 DDBDRO CCOc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-] ZINC000602593397 359059703 /nfs/dbraw/zinc/05/97/03/359059703.db2.gz YTHQUCZUZTVCRY-TXEJJXNPSA-N 1 0 305.334 1.570 20 5 DDBDRO O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000602601443 359065857 /nfs/dbraw/zinc/06/58/57/359065857.db2.gz MCRDWTKFXXWFFA-IUCAKERBSA-N 1 0 315.251 1.800 20 5 DDBDRO CC[C@@](C)(C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1)OC ZINC000602689146 359127215 /nfs/dbraw/zinc/12/72/15/359127215.db2.gz WALHXDZXGSAJNW-HNNXBMFYSA-N 1 0 308.382 1.927 20 5 DDBDRO C[C@]12C[N@H+](Cc3ccccc3[N+](=O)[O-])C[C@@]1(C)C(=O)NC2=O ZINC000602732243 359153840 /nfs/dbraw/zinc/15/38/40/359153840.db2.gz REJMGFWBPMFZGH-GASCZTMLSA-N 1 0 303.318 1.079 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000602837808 359227764 /nfs/dbraw/zinc/22/77/64/359227764.db2.gz AAEUEOCDPILXJZ-MWLCHTKSSA-N 1 0 322.287 1.345 20 5 DDBDRO CO[C@H]1C[C@H]([N@H+](C)CCn2c(C)ncc2[N+](=O)[O-])C12CCC2 ZINC000602839813 359228617 /nfs/dbraw/zinc/22/86/17/359228617.db2.gz LWLCLUUFYHDRQI-STQMWFEESA-N 1 0 308.382 1.989 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000602848521 359235473 /nfs/dbraw/zinc/23/54/73/359235473.db2.gz VXRNMFDHIXDHOK-GFCCVEGCSA-N 1 0 305.342 1.028 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000602796888 359198695 /nfs/dbraw/zinc/19/86/95/359198695.db2.gz ALCHBFJFLALGSF-ZIAGYGMSSA-N 1 0 308.382 1.848 20 5 DDBDRO COC[C@H]([NH2+]CCn1c(C)ncc1[N+](=O)[O-])C1CCOCC1 ZINC000602885316 359269313 /nfs/dbraw/zinc/26/93/13/359269313.db2.gz TVYVNUONARETNC-ZDUSSCGKSA-N 1 0 312.370 1.131 20 5 DDBDRO C[C@H](C(=O)N[C@@H](CO)C[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000603053788 359377877 /nfs/dbraw/zinc/37/78/77/359377877.db2.gz SJTOHIYZWDQHSM-GXTWGEPZSA-N 1 0 321.377 1.271 20 5 DDBDRO CSC[C@@H](O)C[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602961779 359325293 /nfs/dbraw/zinc/32/52/93/359325293.db2.gz CQFFOHMIZIKMSO-QWHCGFSZSA-N 1 0 300.380 1.116 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@H](O)[C@H]2CCCC[C@H]21 ZINC000602997600 359346845 /nfs/dbraw/zinc/34/68/45/359346845.db2.gz NKDLRMNACFFHFG-MJBXVCDLSA-N 1 0 308.382 1.725 20 5 DDBDRO O=[N+]([O-])c1cccc(Cn2cc(C[C@H]3CCC[NH2+]C3)nn2)c1 ZINC000603162763 359447789 /nfs/dbraw/zinc/44/77/89/359447789.db2.gz PMCOGMNQRHRSAX-GFCCVEGCSA-N 1 0 301.350 1.777 20 5 DDBDRO O=[N+]([O-])c1cccc(OCCn2cc([C@H]3CCC[NH2+]C3)nn2)c1 ZINC000603200496 359475990 /nfs/dbraw/zinc/47/59/90/359475990.db2.gz IUKOAGLOVMUJNW-LBPRGKRZSA-N 1 0 317.349 1.732 20 5 DDBDRO COc1cc([N+](=O)[O-])cn(CC[N@H+](C)Cc2ccccc2)c1=O ZINC000603358347 359591299 /nfs/dbraw/zinc/59/12/99/359591299.db2.gz IDPUNHRXHZENAC-UHFFFAOYSA-N 1 0 317.345 1.897 20 5 DDBDRO CC1(CO)CC[NH+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000186896729 200028656 /nfs/dbraw/zinc/02/86/56/200028656.db2.gz NZTLZNJZBWDKRC-ZDUSSCGKSA-N 1 0 324.377 1.429 20 5 DDBDRO C[C@H](CNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)[NH+]1CCC(C)CC1 ZINC000187033396 200051026 /nfs/dbraw/zinc/05/10/26/200051026.db2.gz WPSCXRNZJXCSGG-LLVKDONJSA-N 1 0 322.365 1.546 20 5 DDBDRO CN(CC1([NH+](C)C)CCC1)C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000188054611 200186863 /nfs/dbraw/zinc/18/68/63/200186863.db2.gz XTAFNLQFKYOAGX-UHFFFAOYSA-N 1 0 321.377 1.916 20 5 DDBDRO C[N@@H+]1CCC[C@@H](NC(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000604199320 359725328 /nfs/dbraw/zinc/72/53/28/359725328.db2.gz PRVKXRFVNBBYSD-GFCCVEGCSA-N 1 0 306.366 1.607 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000604511351 359758731 /nfs/dbraw/zinc/75/87/31/359758731.db2.gz ZXZQXOXBJSMJAV-UHFFFAOYSA-N 1 0 318.337 1.309 20 5 DDBDRO C[C@H](C[NH3+])N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000237658191 202319528 /nfs/dbraw/zinc/31/95/28/202319528.db2.gz PBFBXDMZFLNPGR-SSDOTTSWSA-N 1 0 307.759 1.216 20 5 DDBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000188455529 200249939 /nfs/dbraw/zinc/24/99/39/200249939.db2.gz HKTYHIWUIFHJQR-ABAIWWIYSA-N 1 0 318.377 1.733 20 5 DDBDRO COc1cc(NCC[N@@H+]2CCCOCC2)c([N+](=O)[O-])cc1F ZINC000188501165 200256918 /nfs/dbraw/zinc/25/69/18/200256918.db2.gz GUCJUJFNMIHKPI-UHFFFAOYSA-N 1 0 313.329 1.877 20 5 DDBDRO COc1ccc(C(=O)NCCN2CCO[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000608778055 360241058 /nfs/dbraw/zinc/24/10/58/360241058.db2.gz TTXSXHIXGXTCDH-NSHDSACASA-N 1 0 323.349 1.054 20 5 DDBDRO CC(C)[NH2+][C@@H]1CCCN(C(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000609135771 360264133 /nfs/dbraw/zinc/26/41/33/360264133.db2.gz WEVUXVNQPNMOQK-CYBMUJFWSA-N 1 0 321.377 1.963 20 5 DDBDRO C[NH+](C)CCCNC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000609470551 360311168 /nfs/dbraw/zinc/31/11/68/360311168.db2.gz RFRDIGULHJPEDJ-UHFFFAOYSA-N 1 0 310.354 1.225 20 5 DDBDRO C[C@H]1CC[N@H+](CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000610409273 360429502 /nfs/dbraw/zinc/42/95/02/360429502.db2.gz FVPNIKMULIAKFE-NSHDSACASA-N 1 0 313.379 1.215 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)N2CC(n3ccnc3)C2)c1[N+](=O)[O-] ZINC000610922589 360572572 /nfs/dbraw/zinc/57/25/72/360572572.db2.gz DLHDVBYTSREKBV-UHFFFAOYSA-N 1 0 304.310 1.335 20 5 DDBDRO CC[N@@H+]1CCN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])C[C@H]1C ZINC000611084807 360617634 /nfs/dbraw/zinc/61/76/34/360617634.db2.gz VLSWOQBVNRSCQN-SNVBAGLBSA-N 1 0 317.349 1.774 20 5 DDBDRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000611211030 360661302 /nfs/dbraw/zinc/66/13/02/360661302.db2.gz HDJFWTHBGXEURE-LLVKDONJSA-N 1 0 307.354 1.122 20 5 DDBDRO CCC[NH2+]CCNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000565883400 304100820 /nfs/dbraw/zinc/10/08/20/304100820.db2.gz UFBAGKNDYYJRCG-UHFFFAOYSA-N 1 0 306.366 1.662 20 5 DDBDRO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000193588545 201079995 /nfs/dbraw/zinc/07/99/95/201079995.db2.gz TWBUGTSGXWWGMR-PELKAZGASA-N 1 0 308.294 1.373 20 5 DDBDRO CCC(CC)[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000006349827 181333215 /nfs/dbraw/zinc/33/32/15/181333215.db2.gz TYXACQRXJORAAP-UHFFFAOYSA-N 1 0 315.395 1.651 20 5 DDBDRO C[NH+](C)C[C@]1(O)CCCN(C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000618923020 363802651 /nfs/dbraw/zinc/80/26/51/363802651.db2.gz AMBJSHWSLARGCG-OAHLLOKOSA-N 1 0 307.350 1.124 20 5 DDBDRO C[NH+](C)C1CC(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000619872978 364170450 /nfs/dbraw/zinc/17/04/50/364170450.db2.gz SWWRVHOINQVNRY-UHFFFAOYSA-N 1 0 314.345 1.965 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NCCC[NH+](C)C ZINC000292986188 223338060 /nfs/dbraw/zinc/33/80/60/223338060.db2.gz MFGRJJXMDBOKES-UHFFFAOYSA-N 1 0 315.395 1.442 20 5 DDBDRO O=C(N[C@@H]1CC[NH2+]C1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000127476536 284070685 /nfs/dbraw/zinc/07/06/85/284070685.db2.gz SJYGKAAXCXQXML-MRVPVSSYSA-N 1 0 303.240 1.705 20 5 DDBDRO C[NH2+][C@@H](C)CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000261780217 203115517 /nfs/dbraw/zinc/11/55/17/203115517.db2.gz QAPJLWFCDYKURQ-JTQLQIEISA-N 1 0 303.322 1.118 20 5 DDBDRO Cc1c(NC(=O)NC[C@@H]2C[N@@H+](C)CCN2C)cccc1[N+](=O)[O-] ZINC000264599942 204019607 /nfs/dbraw/zinc/01/96/07/204019607.db2.gz BHGXGTJOXGTKNZ-GFCCVEGCSA-N 1 0 321.381 1.271 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CC3CCOCC3)CC2)nc1 ZINC000264795054 204163458 /nfs/dbraw/zinc/16/34/58/204163458.db2.gz DIPABFJQIVNLJW-UHFFFAOYSA-N 1 0 306.366 1.538 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CC1(OCCO)CCOCC1 ZINC000282573244 217098359 /nfs/dbraw/zinc/09/83/59/217098359.db2.gz FPLFQSRFQHURHG-UHFFFAOYSA-N 1 0 324.377 1.551 20 5 DDBDRO Cc1ccc(C[NH2+]CC2(OCCO)CCOCC2)cc1[N+](=O)[O-] ZINC000282646314 217149859 /nfs/dbraw/zinc/14/98/59/217149859.db2.gz KUEONTFHLREWAQ-UHFFFAOYSA-N 1 0 324.377 1.551 20 5 DDBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000351501958 284349362 /nfs/dbraw/zinc/34/93/62/284349362.db2.gz YLRDAZUDASIJTO-VOAKCMCISA-N 1 0 318.377 1.591 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)CC[NH+](C)C ZINC000266243806 205210847 /nfs/dbraw/zinc/21/08/47/205210847.db2.gz WOAOHJDTWSAHRC-LLVKDONJSA-N 1 0 315.395 1.522 20 5 DDBDRO COc1cc(C[NH2+]CC(C)(C)OCCO)c([N+](=O)[O-])cc1O ZINC000288406509 220137263 /nfs/dbraw/zinc/13/72/63/220137263.db2.gz IJROAOPNUBJUAV-UHFFFAOYSA-N 1 0 314.338 1.186 20 5 DDBDRO Cc1cc(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c(N)c([N+](=O)[O-])c1 ZINC000267365953 206014351 /nfs/dbraw/zinc/01/43/51/206014351.db2.gz XHZBLBNREQWVGU-CHWSQXEVSA-N 1 0 318.377 1.842 20 5 DDBDRO C[NH+](C)C(C)(C)CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000023745327 182367243 /nfs/dbraw/zinc/36/72/43/182367243.db2.gz XSXOLJJUJFUWCS-UHFFFAOYSA-N 1 0 315.395 1.750 20 5 DDBDRO CO[C@H]1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000267750396 206258894 /nfs/dbraw/zinc/25/88/94/206258894.db2.gz DLPCIWCGZTTYHS-ZDUSSCGKSA-N 1 0 307.350 1.953 20 5 DDBDRO COc1ccc(C[NH2+][C@H](C)[C@@H](CO)SC)cc1[N+](=O)[O-] ZINC000152490035 248296929 /nfs/dbraw/zinc/29/69/29/248296929.db2.gz FMZUKHWXHQVROQ-NOZJJQNGSA-N 1 0 300.380 1.805 20 5 DDBDRO CN(C(=O)c1cccc([N+](=O)[O-])c1N)[C@@H]1C[NH+]2CCC1CC2 ZINC000336867689 249273561 /nfs/dbraw/zinc/27/35/61/249273561.db2.gz SRDHCBSIEMXOJQ-CYBMUJFWSA-N 1 0 304.350 1.343 20 5 DDBDRO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000041604099 183209542 /nfs/dbraw/zinc/20/95/42/183209542.db2.gz RDDLSTQBVWSHTQ-LLVKDONJSA-N 1 0 322.365 1.380 20 5 DDBDRO CC[C@H]1CN(Cc2ccccc2[N+](=O)[O-])CC[N@@H+]1C[C@@H](C)O ZINC000105825725 194138957 /nfs/dbraw/zinc/13/89/57/194138957.db2.gz XGLYJJYLFLZQPJ-HIFRSBDPSA-N 1 0 307.394 1.872 20 5 DDBDRO C[NH+](C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)C1CCCCC1 ZINC000285296950 218370731 /nfs/dbraw/zinc/37/07/31/218370731.db2.gz VUYSVKVPHFDNST-LBPRGKRZSA-N 1 0 309.370 1.558 20 5 DDBDRO CCCc1n[nH]c(C(=O)N[C@H]2CCC[N@H+](CC)C2)c1[N+](=O)[O-] ZINC000109620157 194277563 /nfs/dbraw/zinc/27/75/63/194277563.db2.gz UPMFSWGECRFXRM-JTQLQIEISA-N 1 0 309.370 1.485 20 5 DDBDRO CNc1ccc(C(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000567580357 304227073 /nfs/dbraw/zinc/22/70/73/304227073.db2.gz ZGTZWNJAIRVWMR-PWSUYJOCSA-N 1 0 306.366 1.693 20 5 DDBDRO C[NH2+][C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)C1 ZINC000269107427 207245909 /nfs/dbraw/zinc/24/59/09/207245909.db2.gz CMYLUEJEASZNFX-SECBINFHSA-N 1 0 308.294 1.245 20 5 DDBDRO CNC(=O)c1ccc(NCCC[N@H+](C)CCOC)c([N+](=O)[O-])c1 ZINC000064914172 184306131 /nfs/dbraw/zinc/30/61/31/184306131.db2.gz KLGHYJISMYUDTF-UHFFFAOYSA-N 1 0 324.381 1.335 20 5 DDBDRO Cc1c(C(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000269205956 207323009 /nfs/dbraw/zinc/32/30/09/207323009.db2.gz LXKKYYONYDADEC-UFBFGSQYSA-N 1 0 322.321 1.621 20 5 DDBDRO C[C@@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]C1 ZINC000269204086 207324052 /nfs/dbraw/zinc/32/40/52/207324052.db2.gz NINVYZMQYYUGNJ-NXEZZACHSA-N 1 0 322.321 1.621 20 5 DDBDRO C[C@@H]1CN(C(=O)CSc2ccc([N+](=O)[O-])cc2)CC[C@@H]1[NH3+] ZINC000269194253 207314714 /nfs/dbraw/zinc/31/47/14/207314714.db2.gz IDECRZGLVILKAI-MFKMUULPSA-N 1 0 309.391 1.883 20 5 DDBDRO C[C@H]1CN(C(=O)CCOc2ccccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000269221026 207340409 /nfs/dbraw/zinc/34/04/09/207340409.db2.gz RIUOUWJKQWMCCG-NWDGAFQWSA-N 1 0 307.350 1.559 20 5 DDBDRO C[C@H]1CN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000269223426 207342899 /nfs/dbraw/zinc/34/28/99/207342899.db2.gz SHBWTLLEIHJPEQ-RYUDHWBXSA-N 1 0 306.366 1.227 20 5 DDBDRO C[C@H](NC(=O)CCNc1ccccc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000269237646 207365613 /nfs/dbraw/zinc/36/56/13/207365613.db2.gz XAKBCZUFXWJIRO-STQMWFEESA-N 1 0 320.393 1.901 20 5 DDBDRO COc1cc(C(=O)NC[C@@H]2CCC[NH2+]C2)cc([N+](=O)[O-])c1OC ZINC000269238944 207369544 /nfs/dbraw/zinc/36/95/44/207369544.db2.gz XGEVPULXAGRICA-SNVBAGLBSA-N 1 0 323.349 1.341 20 5 DDBDRO COC[C@@]1(CNC(=O)Nc2cccc([N+](=O)[O-])c2C)CCC[NH2+]1 ZINC000414716600 532955441 /nfs/dbraw/zinc/95/54/41/532955441.db2.gz XDWRSZLTVDMQOS-HNNXBMFYSA-N 1 0 322.365 1.793 20 5 DDBDRO CO[C@@H]1C[C@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1(C)C ZINC000451511605 532964239 /nfs/dbraw/zinc/96/42/39/532964239.db2.gz WSFDJDANLDWEBA-BYCMXARLSA-N 1 0 324.377 1.738 20 5 DDBDRO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000286183392 218834587 /nfs/dbraw/zinc/83/45/87/218834587.db2.gz RLQQTZNGUUWLOW-HFAKWTLXSA-N 1 0 307.350 1.476 20 5 DDBDRO C[NH2+][C@H]1CCN([C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000430607479 533040090 /nfs/dbraw/zinc/04/00/90/533040090.db2.gz YZDIHVHKTKGCAB-QWRGUYRKSA-N 1 0 322.365 1.224 20 5 DDBDRO CC[N@@H+]1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000288614041 220289838 /nfs/dbraw/zinc/28/98/38/220289838.db2.gz XHIYPXYBKWDFDG-ZDUSSCGKSA-N 1 0 320.393 1.949 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+]1[C@@H]2CC[C@H]1CN(C)C(=O)C2 ZINC000451869191 533137142 /nfs/dbraw/zinc/13/71/42/533137142.db2.gz NSRKDUPWCIYVLF-OCCSQVGLSA-N 1 0 319.361 1.799 20 5 DDBDRO CC[N@@H+]1CCN(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@H](C)C1 ZINC000352670846 285213386 /nfs/dbraw/zinc/21/33/86/285213386.db2.gz GXGNJBGSUSHJKV-CYBMUJFWSA-N 1 0 320.393 1.868 20 5 DDBDRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000156254507 197098884 /nfs/dbraw/zinc/09/88/84/197098884.db2.gz HSOCTKKPHPBHFF-NEPJUHHUSA-N 1 0 307.350 1.559 20 5 DDBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[NH+](CCO)CCO)o2)c1 ZINC000154918012 197005278 /nfs/dbraw/zinc/00/52/78/197005278.db2.gz OAUKHAQBLGPRMV-UHFFFAOYSA-N 1 0 321.333 1.079 20 5 DDBDRO CN(C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)C1CC([NH3+])C1 ZINC000294740231 224203827 /nfs/dbraw/zinc/20/38/27/224203827.db2.gz CJHJDYBSGRJAKU-UHFFFAOYSA-N 1 0 315.333 1.342 20 5 DDBDRO C[C@@H]1CSC[C@@H]1[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000352802354 285311243 /nfs/dbraw/zinc/31/12/43/285311243.db2.gz VSHSRXUZPXOAAN-MFKMUULPSA-N 1 0 321.402 1.825 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CCCOC[C@@H]2CCOC2)cc1 ZINC001120497545 781984953 /nfs/dbraw/zinc/98/49/53/781984953.db2.gz VZMHOEJMJKGDJY-BBRMVZONSA-N 1 0 324.377 1.661 20 5 DDBDRO C[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)NCc1ccco1 ZINC000122447302 195451992 /nfs/dbraw/zinc/45/19/92/195451992.db2.gz PMBWCLVTWDHEFX-LLVKDONJSA-N 1 0 303.318 1.982 20 5 DDBDRO C[C@H]1CCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)C[C@@H]1C[NH3+] ZINC000417233226 533610033 /nfs/dbraw/zinc/61/00/33/533610033.db2.gz NXJQMCQVDADLAD-JSGCOSHPSA-N 1 0 320.393 1.764 20 5 DDBDRO Cc1ccc(C)c(S(=O)(=O)NC[C@@H](C)C[NH3+])c1[N+](=O)[O-] ZINC000440846445 292087542 /nfs/dbraw/zinc/08/75/42/292087542.db2.gz QTQBWIJODKQTAK-QMMMGPOBSA-N 1 0 301.368 1.085 20 5 DDBDRO Cc1ccc(S(=O)(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000156207208 292178829 /nfs/dbraw/zinc/17/88/29/292178829.db2.gz MUDZYEGYQLSBTI-MNOVXSKESA-N 1 0 313.379 1.274 20 5 DDBDRO C[NH+](C)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000114400635 407569525 /nfs/dbraw/zinc/56/95/25/407569525.db2.gz SARYDGJCILGHQA-SNVBAGLBSA-N 1 0 322.321 1.527 20 5 DDBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1nccn1C ZINC000361107904 299802340 /nfs/dbraw/zinc/80/23/40/299802340.db2.gz BCNHZALROYVJMY-LLVKDONJSA-N 1 0 317.349 1.835 20 5 DDBDRO CC(C)[NH+](CCNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)C(C)C ZINC000027457888 406909983 /nfs/dbraw/zinc/90/99/83/406909983.db2.gz AHSBELYQRXKKKP-UHFFFAOYSA-N 1 0 310.354 1.132 20 5 DDBDRO O=C(NC1CC1)[C@@H]1CCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000054987138 407192112 /nfs/dbraw/zinc/19/21/12/407192112.db2.gz IPACYHGRJIEKNL-HNNXBMFYSA-N 1 0 303.362 1.880 20 5 DDBDRO O=[N+]([O-])c1ccccc1OCC[NH+]1CCC2(CC1)OCCO2 ZINC000052533632 407152468 /nfs/dbraw/zinc/15/24/68/407152468.db2.gz QCUCBSXLWJUMGE-UHFFFAOYSA-N 1 0 308.334 1.813 20 5 DDBDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000055758206 407206691 /nfs/dbraw/zinc/20/66/91/407206691.db2.gz BSDYXMVATFXHMZ-JHJVBQTASA-N 1 0 323.397 1.274 20 5 DDBDRO Cc1nn(C)c(C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000124288788 407353219 /nfs/dbraw/zinc/35/32/19/407353219.db2.gz AAOZNJCQEQEYTK-NSHDSACASA-N 1 0 323.397 1.487 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000108335413 407384341 /nfs/dbraw/zinc/38/43/41/407384341.db2.gz DXAOHONTHQNMBJ-LLVKDONJSA-N 1 0 307.350 1.675 20 5 DDBDRO O=C(N[C@@H]1CC[NH2+]C1)c1ccc([N+](=O)[O-])cc1Br ZINC000126943620 407424383 /nfs/dbraw/zinc/42/43/83/407424383.db2.gz QQMIEUJMXRAFRN-SSDOTTSWSA-N 1 0 314.139 1.449 20 5 DDBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])CCN1CCOCC1 ZINC000112407197 407429063 /nfs/dbraw/zinc/42/90/63/407429063.db2.gz VFZAULCLPHKTRT-UHFFFAOYSA-N 1 0 309.366 1.238 20 5 DDBDRO O=[N+]([O-])c1ccc(CN2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000178492786 407471858 /nfs/dbraw/zinc/47/18/58/407471858.db2.gz YOYFNIWJLUYDNJ-HNNXBMFYSA-N 1 0 305.378 1.749 20 5 DDBDRO C[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)[C@@H]1COc2ccccc21 ZINC000185563786 407452203 /nfs/dbraw/zinc/45/22/03/407452203.db2.gz QPEKZPUWRAIGFH-AAEUAGOBSA-N 1 0 302.334 1.946 20 5 DDBDRO O=C(NC[C@H]1CCC[NH2+]1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000178758847 407588303 /nfs/dbraw/zinc/58/83/03/407588303.db2.gz UBUXRUAMCSWCMU-LLVKDONJSA-N 1 0 315.333 1.262 20 5 DDBDRO CNC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000178681751 407546311 /nfs/dbraw/zinc/54/63/11/407546311.db2.gz MSNIGJCLHUWQKQ-ZJUUUORDSA-N 1 0 308.338 1.398 20 5 DDBDRO C[NH2+][C@H](C)Cc1noc(-c2cc(OC)c(OC)c([N+](=O)[O-])c2)n1 ZINC000261739213 407598113 /nfs/dbraw/zinc/59/81/13/407598113.db2.gz KXLBCKJUYGRXGX-MRVPVSSYSA-N 1 0 322.321 1.812 20 5 DDBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N(C)CC(=O)N1CC[NH2+]CC1 ZINC000261862032 407648331 /nfs/dbraw/zinc/64/83/31/407648331.db2.gz GAHGOYGLJLEDSK-LBPRGKRZSA-N 1 0 306.366 1.019 20 5 DDBDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000115435574 407681993 /nfs/dbraw/zinc/68/19/93/407681993.db2.gz PPDZJVOHHBJMFH-LBPRGKRZSA-N 1 0 323.397 1.327 20 5 DDBDRO CCc1n[nH]c(C(=O)N[C@H](C)C[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000171775065 407767391 /nfs/dbraw/zinc/76/73/91/407767391.db2.gz DQMLLAYEESXDOT-SNVBAGLBSA-N 1 0 309.370 1.485 20 5 DDBDRO C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C[N@@H+]1C1CC1 ZINC000133592416 407862591 /nfs/dbraw/zinc/86/25/91/407862591.db2.gz BIXNSZRZIVMUNB-RKDXNWHRSA-N 1 0 306.322 1.050 20 5 DDBDRO Cc1c(CC(=O)N[C@H](C)[C@H]2CN(C)CCO2)cccc1[N+](=O)[O-] ZINC000133796960 407873688 /nfs/dbraw/zinc/87/36/88/407873688.db2.gz ZJVYPMFOOOKJHT-IUODEOHRSA-N 1 0 321.377 1.281 20 5 DDBDRO O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CC[NH2+]CC1 ZINC000238111562 407891162 /nfs/dbraw/zinc/89/11/62/407891162.db2.gz SNUSNTMZKMQAIG-UHFFFAOYSA-N 1 0 318.377 1.243 20 5 DDBDRO Cc1ccc(NC(=O)C(=O)NC[C@@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000118107022 407892502 /nfs/dbraw/zinc/89/25/02/407892502.db2.gz BQQCOTGYCCIVPF-LBPRGKRZSA-N 1 0 320.349 1.052 20 5 DDBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000173715065 407895133 /nfs/dbraw/zinc/89/51/33/407895133.db2.gz KNMYGBMURUTIJY-CYBMUJFWSA-N 1 0 306.366 1.878 20 5 DDBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])cnc2C)C1 ZINC000174518122 407956137 /nfs/dbraw/zinc/95/61/37/407956137.db2.gz LOYUCVCHVFAGQJ-GFCCVEGCSA-N 1 0 306.366 1.712 20 5 DDBDRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000154089330 407968614 /nfs/dbraw/zinc/96/86/14/407968614.db2.gz PMDWWHDUJLPHIJ-OAHLLOKOSA-N 1 0 321.377 1.772 20 5 DDBDRO C[NH+](C)CCCCNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000272435815 407920088 /nfs/dbraw/zinc/92/00/88/407920088.db2.gz ZJZZPEMORGHWPF-UHFFFAOYSA-N 1 0 323.378 1.671 20 5 DDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000272451585 407925488 /nfs/dbraw/zinc/92/54/88/407925488.db2.gz NPPYYGUIWXXNMR-NEPJUHHUSA-N 1 0 304.350 1.534 20 5 DDBDRO O=[N+]([O-])c1cnn(CCN2CCC[N@@H+](C3CCCC3)CC2)c1 ZINC000174870776 407996974 /nfs/dbraw/zinc/99/69/74/407996974.db2.gz NDVMUNRVMVSVKU-UHFFFAOYSA-N 1 0 307.398 1.742 20 5 DDBDRO C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000155144446 408130485 /nfs/dbraw/zinc/13/04/85/408130485.db2.gz JYARAQKLTALJQB-PHIMTYICSA-N 1 0 309.341 1.827 20 5 DDBDRO CC(C)NC(=O)c1ccc(N2CC([NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000273293060 408140560 /nfs/dbraw/zinc/14/05/60/408140560.db2.gz KSUHNAFNZFJQQZ-UHFFFAOYSA-N 1 0 306.366 1.483 20 5 DDBDRO COc1ccc([C@H](CCO)[NH2+]CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000182379372 408142229 /nfs/dbraw/zinc/14/22/29/408142229.db2.gz MUBZOJQVIJKMIC-HNNXBMFYSA-N 1 0 320.349 1.513 20 5 DDBDRO COC(=O)c1cnc(NCC(C)(C)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000190163785 408179259 /nfs/dbraw/zinc/17/92/59/408179259.db2.gz TUAJAXBJZATXND-UHFFFAOYSA-N 1 0 310.354 1.776 20 5 DDBDRO CC(C)[C@@H]([NH3+])CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000269266240 408240095 /nfs/dbraw/zinc/24/00/95/408240095.db2.gz KYLFZRRQIWNDPO-AWEZNQCLSA-N 1 0 308.382 1.886 20 5 DDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000269259504 408235340 /nfs/dbraw/zinc/23/53/40/408235340.db2.gz YRZMDSSUXFVZOC-ZDUSSCGKSA-N 1 0 307.350 1.322 20 5 DDBDRO O=[N+]([O-])c1ccn(CCN2CCC[C@H]([NH+]3CCCC3)CC2)n1 ZINC000176251060 408323896 /nfs/dbraw/zinc/32/38/96/408323896.db2.gz FSIUFZWNAWCIEG-AWEZNQCLSA-N 1 0 307.398 1.742 20 5 DDBDRO C[NH2+]C[C@@H](C)CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000133243009 162054183 /nfs/dbraw/zinc/05/41/83/162054183.db2.gz ISVDVGPERIDLDP-SECBINFHSA-N 1 0 301.368 1.266 20 5 DDBDRO C[C@@H]1CCC[N@@H+]1C1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000134733315 162085638 /nfs/dbraw/zinc/08/56/38/162085638.db2.gz OGUKWXBWHYYDBV-CYBMUJFWSA-N 1 0 307.398 1.740 20 5 DDBDRO C[C@@H]([NH3+])[C@@H](C)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000449595875 286916228 /nfs/dbraw/zinc/91/62/28/286916228.db2.gz VUXKBZMHUWYQPA-GHMZBOCLSA-N 1 0 306.366 1.661 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[N@H+](C[C@H](C)O)[C@H](C)C1 ZINC000247212952 408430897 /nfs/dbraw/zinc/43/08/97/408430897.db2.gz PYQOCSXXNYEPFO-OLZOCXBDSA-N 1 0 323.393 1.490 20 5 DDBDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1c([N+](=O)[O-])cnn1C ZINC000160412358 408480702 /nfs/dbraw/zinc/48/07/02/408480702.db2.gz TZFWIXZZRBKJAF-LLVKDONJSA-N 1 0 309.370 1.323 20 5 DDBDRO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000177022545 408499261 /nfs/dbraw/zinc/49/92/61/408499261.db2.gz HKNNZNIFEJLEQE-LLVKDONJSA-N 1 0 309.370 1.193 20 5 DDBDRO C[NH+](C)[C@@H]1CCN(c2c(Br)cncc2[N+](=O)[O-])C1 ZINC000161165004 408566861 /nfs/dbraw/zinc/56/68/61/408566861.db2.gz DQXZZMXSDCCIER-MRVPVSSYSA-N 1 0 315.171 1.893 20 5 DDBDRO C[C@H](c1ccncc1)[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000270551589 408575409 /nfs/dbraw/zinc/57/54/09/408575409.db2.gz BLHSPPCOVNJLTH-BXUZGUMPSA-N 1 0 305.338 1.240 20 5 DDBDRO CC(C)[N@H+]1C[C@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000161273795 408580567 /nfs/dbraw/zinc/58/05/67/408580567.db2.gz GFTGUXUIHIDTMX-AAEUAGOBSA-N 1 0 309.370 1.026 20 5 DDBDRO CC(C)[N@@H+]1CCCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000270469871 408542448 /nfs/dbraw/zinc/54/24/48/408542448.db2.gz BYLSKVYNCOUEHD-UHFFFAOYSA-N 1 0 308.382 1.173 20 5 DDBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)CCn3cc([N+](=O)[O-])cn3)CC[C@H]21 ZINC000248178044 408544079 /nfs/dbraw/zinc/54/40/79/408544079.db2.gz VYMZUZPTLAMBIX-GXTWGEPZSA-N 1 0 321.381 1.124 20 5 DDBDRO COC(=O)[C@@]1(C)CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000177426335 408612702 /nfs/dbraw/zinc/61/27/02/408612702.db2.gz FVKIOIVZSOOQPS-HNNXBMFYSA-N 1 0 321.333 1.079 20 5 DDBDRO COC(=O)[C@@]1(C)CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000177434628 408615014 /nfs/dbraw/zinc/61/50/14/408615014.db2.gz JYTVBBBYUOJFKO-HNNXBMFYSA-N 1 0 308.334 1.859 20 5 DDBDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000177529575 408647036 /nfs/dbraw/zinc/64/70/36/408647036.db2.gz MFGGKAFBXJUWRE-QWHCGFSZSA-N 1 0 320.393 1.996 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1NCc1ccnc(OCC[NH+](C)C)c1 ZINC000270735415 408657980 /nfs/dbraw/zinc/65/79/80/408657980.db2.gz SLJNQBMEVVENFZ-UHFFFAOYSA-N 1 0 320.353 1.276 20 5 DDBDRO Cn1cc([N+](=O)[O-])c(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)n1 ZINC000270758446 408670214 /nfs/dbraw/zinc/67/02/14/408670214.db2.gz LORACNZQPQVLAP-LBPRGKRZSA-N 1 0 317.349 1.361 20 5 DDBDRO C[NH2+][C@H]1CCCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000193331184 408714518 /nfs/dbraw/zinc/71/45/18/408714518.db2.gz HGURZQGQDICLKQ-VIFPVBQESA-N 1 0 317.342 1.106 20 5 DDBDRO C[NH+](C)CCc1ccc(CNc2ncc([N+](=O)[O-])c(N)n2)cc1 ZINC000275980335 408737190 /nfs/dbraw/zinc/73/71/90/408737190.db2.gz BGNJWOIBTVTJBU-UHFFFAOYSA-N 1 0 316.365 1.683 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000164563749 408799785 /nfs/dbraw/zinc/79/97/85/408799785.db2.gz DWCUXHPOLMRTLQ-OLZOCXBDSA-N 1 0 321.381 1.042 20 5 DDBDRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)COc3ccc([N+](=O)[O-])cc3)C[C@@H]12 ZINC000185088742 408753920 /nfs/dbraw/zinc/75/39/20/408753920.db2.gz HGBHGCHNYGECGN-ZLKJLUDKSA-N 1 0 305.334 1.169 20 5 DDBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)N2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000163231780 408769052 /nfs/dbraw/zinc/76/90/52/408769052.db2.gz GLUQWPOHNJBONT-ZDUSSCGKSA-N 1 0 320.393 1.328 20 5 DDBDRO Cc1cc([N+](=O)[O-])cn(CCCN2CC[NH+](C(C)C)CC2)c1=O ZINC000276332035 408836956 /nfs/dbraw/zinc/83/69/56/408836956.db2.gz LIXYPICPNCKQKH-UHFFFAOYSA-N 1 0 322.409 1.481 20 5 DDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000276571215 408884963 /nfs/dbraw/zinc/88/49/63/408884963.db2.gz UDGUXYLZIALTDQ-CYBMUJFWSA-N 1 0 318.377 1.877 20 5 DDBDRO COC(=O)c1cc(NC(=O)CC[C@@H]2CCC[NH2+]2)cc([N+](=O)[O-])c1 ZINC000291700951 408910213 /nfs/dbraw/zinc/91/02/13/408910213.db2.gz FHOUKYPUVYKYCY-NSHDSACASA-N 1 0 321.333 1.852 20 5 DDBDRO Cc1ccc(S(=O)(=O)NCC2=CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000189295000 163092650 /nfs/dbraw/zinc/09/26/50/163092650.db2.gz ZRZWYMVXCSKTFO-UHFFFAOYSA-N 1 0 311.363 1.101 20 5 DDBDRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000286375500 408972291 /nfs/dbraw/zinc/97/22/91/408972291.db2.gz COUSGFPLILJUNV-UHFFFAOYSA-N 1 0 321.337 1.505 20 5 DDBDRO CCCN(Cc1csc([N+](=O)[O-])c1)[C@H]1CC(=O)N(C)C1=O ZINC000282417281 409051098 /nfs/dbraw/zinc/05/10/98/409051098.db2.gz GLYOXTYLDZZSOL-JTQLQIEISA-N 1 0 311.363 1.626 20 5 DDBDRO COC[C@H](O)C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000283195939 409109728 /nfs/dbraw/zinc/10/97/28/409109728.db2.gz LANASAZDDMFUGR-NWANDNLSSA-N 1 0 308.378 1.903 20 5 DDBDRO Cc1cc(N(C)CCN2C[C@@H](C)O[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000278948008 409117752 /nfs/dbraw/zinc/11/77/52/409117752.db2.gz WZBDNMKMYSNNSJ-BETUJISGSA-N 1 0 308.382 1.844 20 5 DDBDRO C[C@H](C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)C1C[NH2+]C1 ZINC000261606403 163669791 /nfs/dbraw/zinc/66/97/91/163669791.db2.gz ALLVJLCFHIANGL-LBPRGKRZSA-N 1 0 318.377 1.099 20 5 DDBDRO O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000289208086 409232867 /nfs/dbraw/zinc/23/28/67/409232867.db2.gz KELIEQZUMODEOX-OAHLLOKOSA-N 1 0 307.325 1.950 20 5 DDBDRO Cc1c(CNC(=O)c2csc(CC[NH3+])n2)cccc1[N+](=O)[O-] ZINC000262578615 163853493 /nfs/dbraw/zinc/85/34/93/163853493.db2.gz YQADTVZIOGAAPU-UHFFFAOYSA-N 1 0 320.374 1.791 20 5 DDBDRO CN(CCc1cccc([N+](=O)[O-])c1)C[C@H](O)C[N@H+](C)C1CC1 ZINC000289447474 409273470 /nfs/dbraw/zinc/27/34/70/409273470.db2.gz ULJVSGFOCCMMBA-INIZCTEOSA-N 1 0 307.394 1.524 20 5 DDBDRO Cc1c(C(=O)N[C@H](C)CCC[NH3+])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000295199008 409371496 /nfs/dbraw/zinc/37/14/96/409371496.db2.gz JZTOKODLBBCZRI-MRVPVSSYSA-N 1 0 310.310 1.669 20 5 DDBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)CC(C)(C)CO ZINC000295321188 409432648 /nfs/dbraw/zinc/43/26/48/409432648.db2.gz WKIJBHZGPVDVNL-NSHDSACASA-N 1 0 309.366 1.872 20 5 DDBDRO CCC(=O)N1CC[C@H]([NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000285451488 409448633 /nfs/dbraw/zinc/44/86/33/409448633.db2.gz ZMDAXFCIGKAQGO-PWSUYJOCSA-N 1 0 306.366 1.839 20 5 DDBDRO CNc1c(C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000321888212 164045946 /nfs/dbraw/zinc/04/59/46/164045946.db2.gz RMGHKINCVIRRAP-RYUDHWBXSA-N 1 0 318.377 1.993 20 5 DDBDRO Cc1nn(C)c(C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)c1[N+](=O)[O-] ZINC000408128958 164236297 /nfs/dbraw/zinc/23/62/97/164236297.db2.gz MLEWTVLSYRLYIP-KOLCDFICSA-N 1 0 309.370 1.049 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1CN1CC[NH+](C2CCCCC2)CC1 ZINC000408349174 164304648 /nfs/dbraw/zinc/30/46/48/164304648.db2.gz NEIXATMLYXJMGX-UHFFFAOYSA-N 1 0 307.398 1.779 20 5 DDBDRO C[N@@H+](Cc1cccc(F)c1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000304386549 409617711 /nfs/dbraw/zinc/61/77/11/409617711.db2.gz ZRMLRFUGCALLNA-CQSZACIVSA-N 1 0 308.313 1.423 20 5 DDBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+](CCO)C1CC1 ZINC000304244770 409587286 /nfs/dbraw/zinc/58/72/86/409587286.db2.gz UTLZFHPPFWBTQV-UHFFFAOYSA-N 1 0 321.333 1.350 20 5 DDBDRO CC[C@@H](CNS(C)(=O)=O)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000296506319 409590805 /nfs/dbraw/zinc/59/08/05/409590805.db2.gz PHPRZTZLQVRMNA-PWSUYJOCSA-N 1 0 315.395 1.573 20 5 DDBDRO COc1ccc(C[NH2+]C(C)(C)CN2CCOCC2)cc1[N+](=O)[O-] ZINC000308646412 409781896 /nfs/dbraw/zinc/78/18/96/409781896.db2.gz GCKHGZFTFZJWBK-UHFFFAOYSA-N 1 0 323.393 1.804 20 5 DDBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000354441831 409859142 /nfs/dbraw/zinc/85/91/42/409859142.db2.gz WXDPGXVXYTWESE-VXGBXAGGSA-N 1 0 309.370 1.123 20 5 DDBDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)c2c([N+](=O)[O-])cnn2C)C[C@@H](C)C1 ZINC000346244112 409870539 /nfs/dbraw/zinc/87/05/39/409870539.db2.gz UNJPEFOYRLLDEA-TUAOUCFPSA-N 1 0 321.381 1.131 20 5 DDBDRO C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)c2nn(C)cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000346254939 409878289 /nfs/dbraw/zinc/87/82/89/409878289.db2.gz HSTLVKNXIPQTTC-SDDRHHMPSA-N 1 0 321.381 1.131 20 5 DDBDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000324475721 409925753 /nfs/dbraw/zinc/92/57/53/409925753.db2.gz FFXSXINBBXHEFF-SNVBAGLBSA-N 1 0 324.356 1.776 20 5 DDBDRO COc1cccc(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000332238078 410003898 /nfs/dbraw/zinc/00/38/98/410003898.db2.gz HQWZMQHBXGCXIT-QWHCGFSZSA-N 1 0 319.361 1.960 20 5 DDBDRO CC[N@@H+]1CC[C@H]2OCCN(Cc3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000339399028 410160919 /nfs/dbraw/zinc/16/09/19/410160919.db2.gz YNBATDFBURBILB-JKSUJKDBSA-N 1 0 305.378 1.890 20 5 DDBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])C1CCN(CCO)CC1 ZINC000357646143 410161686 /nfs/dbraw/zinc/16/16/86/410161686.db2.gz KRRNVSYIVRFTSF-UHFFFAOYSA-N 1 0 323.393 1.362 20 5 DDBDRO C[NH+](C)[C@@H]1CCCN(c2cccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000343203211 410231514 /nfs/dbraw/zinc/23/15/14/410231514.db2.gz IEKSEDCINQTWBW-LLVKDONJSA-N 1 0 306.366 1.614 20 5 DDBDRO C[NH+]1CCC(CC(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000347048779 410324020 /nfs/dbraw/zinc/32/40/20/410324020.db2.gz RAFMSLLBGARSQQ-UHFFFAOYSA-N 1 0 305.378 1.985 20 5 DDBDRO CN(C(=O)COc1ccccc1[N+](=O)[O-])[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000347015011 410314830 /nfs/dbraw/zinc/31/48/30/410314830.db2.gz UZWCWBRYIQEHCE-CYBMUJFWSA-N 1 0 319.361 1.669 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@H](O)[C@@H](C)C1 ZINC000351945775 410356280 /nfs/dbraw/zinc/35/62/80/410356280.db2.gz ULEJACICEDUGJC-GWCFXTLKSA-N 1 0 323.349 1.245 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[N@H+](C)[C@H]1C ZINC000343432241 410449286 /nfs/dbraw/zinc/44/92/86/410449286.db2.gz KLEQWZGKIDVONH-GWCFXTLKSA-N 1 0 307.350 1.816 20 5 DDBDRO C[C@H]1[C@H](NC(=O)COc2ccccc2[N+](=O)[O-])CCC[N@@H+]1C ZINC000343464888 410473672 /nfs/dbraw/zinc/47/36/72/410473672.db2.gz YVUPJVFNUCZCRI-NWDGAFQWSA-N 1 0 307.350 1.573 20 5 DDBDRO C[C@@]12CCC[N@@H+]1C[C@@H](c1noc(-c3ccc([N+](=O)[O-])[nH]3)n1)OC2 ZINC000347343706 410485858 /nfs/dbraw/zinc/48/58/58/410485858.db2.gz SSYNBEYMYRCTFS-HZMBPMFUSA-N 1 0 319.321 1.899 20 5 DDBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)CC(C)(CO)CO ZINC000347354426 410493139 /nfs/dbraw/zinc/49/31/39/410493139.db2.gz BEYOAFAPHLXPPP-QPEQYQDCSA-N 1 0 308.378 1.921 20 5 DDBDRO O=C(CCn1cc([N+](=O)[O-])cn1)N1CC[NH+](C2CCCC2)CC1 ZINC000299101908 410524719 /nfs/dbraw/zinc/52/47/19/410524719.db2.gz ALRZLJYVPRKXET-UHFFFAOYSA-N 1 0 321.381 1.268 20 5 DDBDRO CCC[C@H]1C[NH2+]CCN1C(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000359202106 410573694 /nfs/dbraw/zinc/57/36/94/410573694.db2.gz SFVWEQWPVWLYJC-LBPRGKRZSA-N 1 0 307.350 1.818 20 5 DDBDRO CC(C)(C(=O)N1C[C@@H]2C[NH2+]C[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000359400872 410639659 /nfs/dbraw/zinc/63/96/59/410639659.db2.gz DMBBIEMFMBKNQF-RYUDHWBXSA-N 1 0 303.362 1.550 20 5 DDBDRO C[N@@H+]1CCC[C@H](N2CCN(c3ccc([N+](=O)[O-])cc3F)CC2)C1 ZINC000301304083 410695722 /nfs/dbraw/zinc/69/57/22/410695722.db2.gz SVEFHFGTTUBOCR-AWEZNQCLSA-N 1 0 322.384 1.950 20 5 DDBDRO COCC[N@@H+]1CC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2OC)C1 ZINC000355824088 410688518 /nfs/dbraw/zinc/68/85/18/410688518.db2.gz GSTXLWVEXGRNQB-NSHDSACASA-N 1 0 323.349 1.054 20 5 DDBDRO COc1c(C(=O)N(C)[C@H]2C[NH+]3CCC2CC3)cccc1[N+](=O)[O-] ZINC000356009555 410772574 /nfs/dbraw/zinc/77/25/74/410772574.db2.gz YTJKFQMRXRJTPH-AWEZNQCLSA-N 1 0 319.361 1.770 20 5 DDBDRO C[C@H]1CCC[N@H+](CCCCNC(=O)c2cc([N+](=O)[O-])nn2C)C1 ZINC000356157854 410870355 /nfs/dbraw/zinc/87/03/55/410870355.db2.gz MGWOXURJOYPKIK-LBPRGKRZSA-N 1 0 323.397 1.570 20 5 DDBDRO CC1=CC[N@H+](CCNC(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000348349483 410929864 /nfs/dbraw/zinc/92/98/64/410929864.db2.gz ZRLKLIGVPYCQNR-UHFFFAOYSA-N 1 0 303.362 1.906 20 5 DDBDRO CCOc1ccc(C(=O)N2CCCC[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000130994206 196130557 /nfs/dbraw/zinc/13/05/57/196130557.db2.gz FTEBAXQPIFNFRT-GFCCVEGCSA-N 1 0 307.350 1.947 20 5 DDBDRO COc1cc(C(=O)N2[C@@H]3CC[C@H]2CC[N@@H+](C)C3)ccc1[N+](=O)[O-] ZINC000580723940 422950114 /nfs/dbraw/zinc/95/01/14/422950114.db2.gz OUCRWJOKNJXYRL-QWHCGFSZSA-N 1 0 319.361 1.912 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@H]1CCC[NH2+]C1 ZINC000417171599 225231749 /nfs/dbraw/zinc/23/17/49/225231749.db2.gz DSPNBGCUXQJFHV-NSHDSACASA-N 1 0 308.338 1.155 20 5 DDBDRO Cn1cc([N+](=O)[O-])c(-c2nc(-c3ccn4c[nH+]cc4c3)no2)n1 ZINC000351041477 306761447 /nfs/dbraw/zinc/76/14/47/306761447.db2.gz ALQDFHDUHFPEGC-UHFFFAOYSA-N 1 0 311.261 1.693 20 5 DDBDRO Nc1cc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)ccn1 ZINC000373281910 418416867 /nfs/dbraw/zinc/41/68/67/418416867.db2.gz AMYFYEAJBYHYNS-UHFFFAOYSA-N 1 0 302.338 1.606 20 5 DDBDRO O=C(CCn1cc([N+](=O)[O-])cn1)N1CCC[C@H]2C[NH2+]CCC[C@H]21 ZINC000373558329 418438724 /nfs/dbraw/zinc/43/87/24/418438724.db2.gz ABPYKVYHJQIKCM-GXTWGEPZSA-N 1 0 321.381 1.172 20 5 DDBDRO O=[N+]([O-])c1cnc2ccc(NC3CC([NH+]4CCCCC4)C3)nn21 ZINC000366504511 418482335 /nfs/dbraw/zinc/48/23/35/418482335.db2.gz HSTXFWIMVKFQTK-UHFFFAOYSA-N 1 0 316.365 2.066 20 5 DDBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)COc3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000375038647 418593487 /nfs/dbraw/zinc/59/34/87/418593487.db2.gz MAZJASZGVMQJJD-WFASDCNBSA-N 1 0 319.361 1.526 20 5 DDBDRO CNc1c(C(=O)N[C@H]2CC[N@H+](CCOC)C2)cccc1[N+](=O)[O-] ZINC000361213210 418606786 /nfs/dbraw/zinc/60/67/86/418606786.db2.gz QCHLAQITNSQUEA-NSHDSACASA-N 1 0 322.365 1.087 20 5 DDBDRO C[C@H]1COCCN1CC[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375610808 418661724 /nfs/dbraw/zinc/66/17/24/418661724.db2.gz HDTQXXZUGZGHKB-KBPBESRZSA-N 1 0 323.397 1.149 20 5 DDBDRO CCOc1cc(C[N@H+](CCO)[C@@H]2CCO[C@H]2C)ccc1[N+](=O)[O-] ZINC000361584682 418685799 /nfs/dbraw/zinc/68/57/99/418685799.db2.gz FXXXBGZECLMMND-GXTWGEPZSA-N 1 0 324.377 1.965 20 5 DDBDRO C[N@H+]1Cc2ccccc2[C@@H](Nc2ccc3ncc([N+](=O)[O-])n3n2)C1 ZINC000371338593 418779943 /nfs/dbraw/zinc/77/99/43/418779943.db2.gz FKNXCAUQTBRILU-ZDUSSCGKSA-N 1 0 324.344 2.236 20 5 DDBDRO Nc1cc2c(nn1)CC[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C2 ZINC000371376780 418787086 /nfs/dbraw/zinc/78/70/86/418787086.db2.gz ZTJAIFXFWXWSTO-HWKANZROSA-N 1 0 311.345 2.039 20 5 DDBDRO C[C@@H]1CC[NH2+][C@@H](C(=O)NCCNc2ccccc2[N+](=O)[O-])C1 ZINC000422938768 227271137 /nfs/dbraw/zinc/27/11/37/227271137.db2.gz PYQDCQZTLZMJCR-DGCLKSJQSA-N 1 0 306.366 1.511 20 5 DDBDRO C[C@H](CO)[N@@H+]1CCCN(C(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000364939821 418826248 /nfs/dbraw/zinc/82/62/48/418826248.db2.gz ZMDYSVNXNAXNBL-SNVBAGLBSA-N 1 0 313.379 1.185 20 5 DDBDRO CC(C)(C)[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC(N)=O ZINC000411318490 418892747 /nfs/dbraw/zinc/89/27/47/418892747.db2.gz CGJKFGLUPNIWPF-UHFFFAOYSA-N 1 0 322.365 1.509 20 5 DDBDRO C[NH+]1CCC2(CCCN2C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000365791085 418909137 /nfs/dbraw/zinc/90/91/37/418909137.db2.gz VLQNXIDCGKHRNI-UHFFFAOYSA-N 1 0 320.349 1.396 20 5 DDBDRO COc1ccc(C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)cc1[N+](=O)[O-] ZINC000373055489 418924922 /nfs/dbraw/zinc/92/49/22/418924922.db2.gz KFWZWZPDUQCYEJ-CMPLNLGQSA-N 1 0 305.334 1.427 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000424052822 228223281 /nfs/dbraw/zinc/22/32/81/228223281.db2.gz NIGAVZWGJMNDLP-UMNHJUIQSA-N 1 0 306.366 1.744 20 5 DDBDRO Cc1cc(NC(=O)C(=O)NC[C@@H]2CCC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000298156613 228385555 /nfs/dbraw/zinc/38/55/55/228385555.db2.gz PGDMFRSEKBFBIG-LBPRGKRZSA-N 1 0 320.349 1.052 20 5 DDBDRO CC(C)C[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000421005403 419439676 /nfs/dbraw/zinc/43/96/76/419439676.db2.gz GHMSVVSDHFSLBE-UHFFFAOYSA-N 1 0 315.395 1.461 20 5 DDBDRO C[C@H](NC(=O)N[C@H]1C[NH2+]CC[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000418228894 419632131 /nfs/dbraw/zinc/63/21/31/419632131.db2.gz FLWODLRBGZPHPF-MJVIPROJSA-N 1 0 306.366 1.953 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000427324492 419638419 /nfs/dbraw/zinc/63/84/19/419638419.db2.gz MWISOVJMMYOAGZ-WDEREUQCSA-N 1 0 307.354 1.168 20 5 DDBDRO Cc1nnc([C@@H]2CC[N@H+](CCOc3ccccc3[N+](=O)[O-])C2)[nH]1 ZINC000412033736 419576676 /nfs/dbraw/zinc/57/66/76/419576676.db2.gz SFUVQOMIDIIIJJ-GFCCVEGCSA-N 1 0 317.349 1.890 20 5 DDBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@H]1CCc2nnnn2CC1 ZINC000421402397 419600524 /nfs/dbraw/zinc/60/05/24/419600524.db2.gz VTTMDQUQGWYVTN-DXTPNHAXSA-N 1 0 314.349 1.589 20 5 DDBDRO O=C(NC1CC[NH2+]CC1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000418309877 419697306 /nfs/dbraw/zinc/69/73/06/419697306.db2.gz OEIDWOJATWYQQT-UHFFFAOYSA-N 1 0 320.349 1.251 20 5 DDBDRO O=C(NC[C@H]1CCC[NH2+]1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000418363360 419745075 /nfs/dbraw/zinc/74/50/75/419745075.db2.gz ILPGQSDLVHNXKR-LLVKDONJSA-N 1 0 320.349 1.119 20 5 DDBDRO CCC[NH2+]CCNC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000418481675 419826433 /nfs/dbraw/zinc/82/64/33/419826433.db2.gz UQSHPZGDTOWLEO-UHFFFAOYSA-N 1 0 322.365 1.367 20 5 DDBDRO CN(C(=O)CN1CC[C@H]2[NH2+]CC[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000428036270 419796086 /nfs/dbraw/zinc/79/60/86/419796086.db2.gz GWZBKVACERVMPD-IUODEOHRSA-N 1 0 318.377 1.241 20 5 DDBDRO COc1ccc(CN[C@@H](CC[NH3+])C(F)(F)F)cc1[N+](=O)[O-] ZINC000415053028 419923981 /nfs/dbraw/zinc/92/39/81/419923981.db2.gz JEKGVXLLKHBCEN-NSHDSACASA-N 1 0 307.272 1.973 20 5 DDBDRO Cn1cc(CN2CCC([NH3+])CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000435386317 229380555 /nfs/dbraw/zinc/38/05/55/229380555.db2.gz UGRTXFJZXPYHGU-UHFFFAOYSA-N 1 0 315.377 1.918 20 5 DDBDRO COc1cccc(C(=O)NCC2([NH3+])CCCCC2)c1[N+](=O)[O-] ZINC000422706661 419962996 /nfs/dbraw/zinc/96/29/96/419962996.db2.gz UTSIRJNKYIDAHZ-UHFFFAOYSA-N 1 0 307.350 1.995 20 5 DDBDRO C[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H](C[NH3+])C1 ZINC000261595950 287598167 /nfs/dbraw/zinc/59/81/67/287598167.db2.gz JKMKLZGAYYSSDR-PWSUYJOCSA-N 1 0 313.379 1.343 20 5 DDBDRO CO[C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)[C@@H](C[NH3+])C1 ZINC000415448114 420070346 /nfs/dbraw/zinc/07/03/46/420070346.db2.gz XLMRGZJIOPNYGB-CHWSQXEVSA-N 1 0 322.365 1.873 20 5 DDBDRO CC1(C)CCC[NH2+][C@H]1CNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000423619383 420101886 /nfs/dbraw/zinc/10/18/86/420101886.db2.gz VIDHMGZDOMHJPC-LBPRGKRZSA-N 1 0 306.366 1.685 20 5 DDBDRO CN(c1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CC[NH2+]CC1 ZINC000420137576 420129112 /nfs/dbraw/zinc/12/91/12/420129112.db2.gz LJQALVMNBOCFFC-UHFFFAOYSA-N 1 0 303.322 1.833 20 5 DDBDRO CN(CC(C)(C)C[NH3+])[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000430576669 420143154 /nfs/dbraw/zinc/14/31/54/420143154.db2.gz WKDJUPKJMWOIHB-AWEZNQCLSA-N 1 0 320.393 1.617 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000423585154 420088225 /nfs/dbraw/zinc/08/82/25/420088225.db2.gz AOQIJIOZDOLELK-QWRGUYRKSA-N 1 0 307.350 1.721 20 5 DDBDRO Cc1c(CNC(=O)C[NH2+]C[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000423814473 420201927 /nfs/dbraw/zinc/20/19/27/420201927.db2.gz UCVYEJPQMAWHJN-ZDUSSCGKSA-N 1 0 307.350 1.288 20 5 DDBDRO O=C(CCN1CCC[C@H]2C[NH2+]C[C@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000420330149 420215125 /nfs/dbraw/zinc/21/51/25/420215125.db2.gz AFKMLMJKXITEDX-SWLSCSKDSA-N 1 0 318.377 1.607 20 5 DDBDRO O=c1[nH]c(NCC[C@@H]2CCC[NH2+]C2)nc2ccc([N+](=O)[O-])cc21 ZINC000420201284 420148717 /nfs/dbraw/zinc/14/87/17/420148717.db2.gz NGHCJMHNDFOJCO-JTQLQIEISA-N 1 0 317.349 2.045 20 5 DDBDRO [NH3+]C[C@@H]1CCCCN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000420284909 420182038 /nfs/dbraw/zinc/18/20/38/420182038.db2.gz DCYONXRGOPJUMD-AWEZNQCLSA-N 1 0 306.366 1.737 20 5 DDBDRO C[C@@](CN)([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000420284744 420182362 /nfs/dbraw/zinc/18/23/62/420182362.db2.gz DKDNCDAXAHYFIY-HNNXBMFYSA-N 1 0 306.366 1.640 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[NH2+]C[C@@](C)(F)C1 ZINC000420343867 420223212 /nfs/dbraw/zinc/22/32/12/420223212.db2.gz RVUBVPMQRGVMMH-OAHLLOKOSA-N 1 0 324.356 1.475 20 5 DDBDRO O=C(CCOC1C[NH2+]C1)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000423851318 420225842 /nfs/dbraw/zinc/22/58/42/420225842.db2.gz RPPAHAORQNAKRO-UHFFFAOYSA-N 1 0 313.741 1.243 20 5 DDBDRO C[NH2+]C1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000430946509 420219127 /nfs/dbraw/zinc/21/91/27/420219127.db2.gz WQABTVOBUAAXBX-UHFFFAOYSA-N 1 0 317.349 1.829 20 5 DDBDRO O=C(NC[C@@H]1C[NH2+]CCO1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000423989771 420292625 /nfs/dbraw/zinc/29/26/25/420292625.db2.gz ISGMZHKZORUUST-NSHDSACASA-N 1 0 305.290 1.059 20 5 DDBDRO C[NH2+]CCCN(C)S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000420466144 420303826 /nfs/dbraw/zinc/30/38/26/420303826.db2.gz ABIOZDLIKAPNBH-UHFFFAOYSA-N 1 0 315.395 1.442 20 5 DDBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000420804829 420399091 /nfs/dbraw/zinc/39/90/91/420399091.db2.gz ACLCDAYYTZZNJT-OAHLLOKOSA-N 1 0 320.393 1.873 20 5 DDBDRO C[NH+](C)CC(C)(C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000416511799 420402340 /nfs/dbraw/zinc/40/23/40/420402340.db2.gz YWSDXXNMSGLDKF-UHFFFAOYSA-N 1 0 301.368 1.213 20 5 DDBDRO CC[NH+](CC)CC[C@@H](CO)NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000439016825 420476136 /nfs/dbraw/zinc/47/61/36/420476136.db2.gz BYBZCPLJGOZPKA-ZDUSSCGKSA-N 1 0 324.381 1.809 20 5 DDBDRO O=C1CC[C@@H](C[N@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)CCN1 ZINC000451048465 420588990 /nfs/dbraw/zinc/58/89/90/420588990.db2.gz KAMLRUBOUZGQKL-GFCCVEGCSA-N 1 0 319.361 1.706 20 5 DDBDRO CC1(C)COC[C@@H]1[NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000451809693 420612424 /nfs/dbraw/zinc/61/24/24/420612424.db2.gz JUIZLHZEFJLJPN-KBPBESRZSA-N 1 0 319.361 1.715 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CC(C3CCCCC3)C2)c1 ZINC000453029485 420704879 /nfs/dbraw/zinc/70/48/79/420704879.db2.gz XDEFQARCHZLAQC-HNNXBMFYSA-N 1 0 308.382 1.664 20 5 DDBDRO CC(C)[C@@H]1C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1C(C)C ZINC000453041969 420706406 /nfs/dbraw/zinc/70/64/06/420706406.db2.gz SBRBRONHRZNGNX-QLFBSQMISA-N 1 0 310.398 1.765 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@]1(C)CCC(=O)N1 ZINC000453587493 420733570 /nfs/dbraw/zinc/73/35/70/420733570.db2.gz KACWFCVRGSXODQ-HNNXBMFYSA-N 1 0 307.350 1.752 20 5 DDBDRO O=C(/C=C/c1cccc([N+](=O)[O-])c1)N[C@H]1C[NH2+]CCC1(F)F ZINC000493599518 420893664 /nfs/dbraw/zinc/89/36/64/420893664.db2.gz SYNWPIRHXVPXKH-ITKZLYELSA-N 1 0 311.288 1.721 20 5 DDBDRO O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCC2(CC[NH2+]2)CC1 ZINC000493775669 420938819 /nfs/dbraw/zinc/93/88/19/420938819.db2.gz IRINWLBPQLHYJI-SNAWJCMRSA-N 1 0 301.346 1.963 20 5 DDBDRO CNc1nc(C(=O)N(C)[C@H]2C[NH+]3CCC2CC3)ccc1[N+](=O)[O-] ZINC000455608409 421043122 /nfs/dbraw/zinc/04/31/22/421043122.db2.gz APLRYAJOUOVYLB-ZDUSSCGKSA-N 1 0 319.365 1.198 20 5 DDBDRO COc1ccc(C[NH2+]C[C@@H]2CCCCN2CCO)cc1[N+](=O)[O-] ZINC000449396791 421007071 /nfs/dbraw/zinc/00/70/71/421007071.db2.gz SOZNJCKAEMUJTM-AWEZNQCLSA-N 1 0 323.393 1.540 20 5 DDBDRO C[C@H]([NH3+])[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000449586791 421033475 /nfs/dbraw/zinc/03/34/75/421033475.db2.gz IJWGVMJDPXLEOS-BQBZGAKWSA-N 1 0 316.155 1.823 20 5 DDBDRO CCOc1cc(C(=O)NC[C@H]([NH3+])CC)c([N+](=O)[O-])cc1OC ZINC000449599248 421036399 /nfs/dbraw/zinc/03/63/99/421036399.db2.gz KPCRTGXRVFMRNN-SECBINFHSA-N 1 0 311.338 1.469 20 5 DDBDRO [NH3+]C[C@@H]1CC[C@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000449715270 421066501 /nfs/dbraw/zinc/06/65/01/421066501.db2.gz IRXYJPCYWCQGQO-NEPJUHHUSA-N 1 0 307.350 1.607 20 5 DDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000449740481 421070949 /nfs/dbraw/zinc/07/09/49/421070949.db2.gz GPEAMDNQWJMYDF-MFKMUULPSA-N 1 0 309.753 1.611 20 5 DDBDRO C[C@H]1C[C@@H](NC(=O)NCc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000524783283 421273116 /nfs/dbraw/zinc/27/31/16/421273116.db2.gz FTGMFNKPELCJOC-AAEUAGOBSA-N 1 0 306.366 1.877 20 5 DDBDRO C[C@@H]1CC[N@H+](CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000546878069 421314005 /nfs/dbraw/zinc/31/40/05/421314005.db2.gz BKQCDTDOSNFNRJ-LLVKDONJSA-N 1 0 313.379 1.215 20 5 DDBDRO C[C@@H](CNC(=O)c1ccnc(N)c1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000548057594 421394594 /nfs/dbraw/zinc/39/45/94/421394594.db2.gz LSOBJFYSSNSIRM-NSHDSACASA-N 1 0 321.381 1.424 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CC[C@@H]1CCOC1 ZINC000515188165 421484360 /nfs/dbraw/zinc/48/43/60/421484360.db2.gz TWBHVUIEZZXMKB-OLZOCXBDSA-N 1 0 310.350 1.351 20 5 DDBDRO C[NH+](C)CC(C)(C)CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000516836005 421569195 /nfs/dbraw/zinc/56/91/95/421569195.db2.gz IGMXHWCJKLPAQX-UHFFFAOYSA-N 1 0 323.349 1.641 20 5 DDBDRO O=C1NCC[C@@]12CCC[N@H+]2CCOc1cccc([N+](=O)[O-])c1 ZINC000516875017 421574418 /nfs/dbraw/zinc/57/44/18/421574418.db2.gz BIXMRMJCNIHQLY-HNNXBMFYSA-N 1 0 305.334 1.328 20 5 DDBDRO O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000563704831 421535889 /nfs/dbraw/zinc/53/58/89/421535889.db2.gz CBYTYAXNRVQGMC-MNOVXSKESA-N 1 0 320.349 1.157 20 5 DDBDRO CC[NH+](CC)CC[C@@H](CO)NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000535835709 421711770 /nfs/dbraw/zinc/71/17/70/421711770.db2.gz KWWZAVNNHOODOM-AWEZNQCLSA-N 1 0 323.393 1.346 20 5 DDBDRO C[C@H]1CC[N@H+](CC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)C1 ZINC000518792704 421668402 /nfs/dbraw/zinc/66/84/02/421668402.db2.gz QCMQAAMSJCDGSR-LBPRGKRZSA-N 1 0 303.362 1.821 20 5 DDBDRO Cc1nn(CCC(=O)N2CC[N@@H+](C)C(C)(C)C2)c(C)c1[N+](=O)[O-] ZINC000580966231 421875018 /nfs/dbraw/zinc/87/50/18/421875018.db2.gz YUYPQQIEKOWMEI-UHFFFAOYSA-N 1 0 323.397 1.351 20 5 DDBDRO CC(C)C[C@H](C[NH3+])NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000581806666 422045039 /nfs/dbraw/zinc/04/50/39/422045039.db2.gz XZPRWLRXEZAOLV-SNVBAGLBSA-N 1 0 323.349 1.469 20 5 DDBDRO COc1ccc(CC(=O)N[C@H]2CC[NH2+][C@@H](C)C2)cc1[N+](=O)[O-] ZINC000574276315 422088153 /nfs/dbraw/zinc/08/81/53/422088153.db2.gz VGXAWFJRHWDSQH-JQWIXIFHSA-N 1 0 307.350 1.403 20 5 DDBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1ccnc(NC)c1[N+](=O)[O-] ZINC000583703071 422213973 /nfs/dbraw/zinc/21/39/73/422213973.db2.gz MDQHSDKUVKRHKG-LLVKDONJSA-N 1 0 323.397 1.882 20 5 DDBDRO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000592201831 422331334 /nfs/dbraw/zinc/33/13/34/422331334.db2.gz WDTKQPMHNPKIDS-QJPTWQEYSA-N 1 0 308.334 1.512 20 5 DDBDRO O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000593905970 422342811 /nfs/dbraw/zinc/34/28/11/422342811.db2.gz FBWZEHBANPJNON-WCQYABFASA-N 1 0 315.333 1.940 20 5 DDBDRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000594282474 422345051 /nfs/dbraw/zinc/34/50/51/422345051.db2.gz QGZDBNIXYIOQPE-QWRGUYRKSA-N 1 0 321.381 1.565 20 5 DDBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2ccnc(N)c2[N+](=O)[O-])C1 ZINC000576835661 422377997 /nfs/dbraw/zinc/37/79/97/422377997.db2.gz JEEZVFAOEZBGDZ-NSHDSACASA-N 1 0 321.381 1.376 20 5 DDBDRO CC(C)O[C@H]1C[C@@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000578187102 422516970 /nfs/dbraw/zinc/51/69/70/422516970.db2.gz OVWPXXNFPWCSSU-MELADBBJSA-N 1 0 324.377 1.880 20 5 DDBDRO CC[C@H](C[NH+]1CCCC1)Nc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000611241032 422476141 /nfs/dbraw/zinc/47/61/41/422476141.db2.gz HMJQHYKWDJGFBE-LLVKDONJSA-N 1 0 304.354 1.924 20 5 DDBDRO CN(CC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000578350722 422552793 /nfs/dbraw/zinc/55/27/93/422552793.db2.gz VCMVKJAAWMRKHF-UHFFFAOYSA-N 1 0 306.366 1.607 20 5 DDBDRO CC(C)[C@H]1C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCS1 ZINC000076066451 263328773 /nfs/dbraw/zinc/32/87/73/263328773.db2.gz DKFYHXZEQKVNIN-QWHCGFSZSA-N 1 0 314.411 1.226 20 5 DDBDRO COC(=O)c1cc(C)nc(N[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000342365447 271391126 /nfs/dbraw/zinc/39/11/26/271391126.db2.gz VYYKYQXPAUYICL-WDEREUQCSA-N 1 0 322.365 1.979 20 5 DDBDRO C[C@@H]1CN(C(=O)c2c([N+](=O)[O-])cnn2C)CC[N@@H+](C2CCC2)C1 ZINC000344732967 272103604 /nfs/dbraw/zinc/10/36/04/272103604.db2.gz ULVQEXCAVYWYKK-NSHDSACASA-N 1 0 321.381 1.275 20 5 DDBDRO C[C@@H]1[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)CCC[N@@H+]1C ZINC000345321781 272219310 /nfs/dbraw/zinc/21/93/10/272219310.db2.gz OUQYRXIADAGGPE-KCJUWKMLSA-N 1 0 310.329 1.529 20 5 DDBDRO Cn1c(C(=O)NCc2cccc(C[NH+](C)C)c2)ccc1[N+](=O)[O-] ZINC000345698292 272307102 /nfs/dbraw/zinc/30/71/02/272307102.db2.gz DTEAGAGTCBSDJB-UHFFFAOYSA-N 1 0 316.361 1.925 20 5 DDBDRO CCc1n[nH]c(C(=O)NC[C@@H]2CCC[N@@H+](CC)C2)c1[N+](=O)[O-] ZINC000345925022 272366818 /nfs/dbraw/zinc/36/68/18/272366818.db2.gz LDPMHUSLQDSQDQ-JTQLQIEISA-N 1 0 309.370 1.342 20 5 DDBDRO CCN(CCn1cc([N+](=O)[O-])cn1)CC[NH+]1CCCCCC1 ZINC000347327111 272663276 /nfs/dbraw/zinc/66/32/76/272663276.db2.gz XMTCGNSIISHEAV-UHFFFAOYSA-N 1 0 309.414 1.989 20 5 DDBDRO CO[C@]1(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CCOC1 ZINC000447591759 274087430 /nfs/dbraw/zinc/08/74/30/274087430.db2.gz FIKPYVQXHQJZFV-NFAWXSAZSA-N 1 0 324.381 1.670 20 5 DDBDRO C[C@H](C[NH3+])N(C)S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000237656178 274483386 /nfs/dbraw/zinc/48/33/86/274483386.db2.gz AUQHSVURRUWBJQ-SSDOTTSWSA-N 1 0 307.759 1.216 20 5 DDBDRO O=[N+]([O-])c1ccc2ccnc(N3CCC[N@@H+](CCO)CC3)c2c1 ZINC000413125971 275038842 /nfs/dbraw/zinc/03/88/42/275038842.db2.gz RPLAATMDOZDVIP-UHFFFAOYSA-N 1 0 316.361 1.647 20 5 DDBDRO CN1C[C@H]([NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1=O ZINC000447536830 276987001 /nfs/dbraw/zinc/98/70/01/276987001.db2.gz QHYIJESTJVYJPO-GRYCIOLGSA-N 1 0 307.354 1.095 20 5 DDBDRO C[NH2+]C[C@@H]1CCCN1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000430599082 277028356 /nfs/dbraw/zinc/02/83/56/277028356.db2.gz PWJGXNWJNXZGMZ-AWEZNQCLSA-N 1 0 318.377 1.168 20 5 DDBDRO C[NH2+]C[C@H](C)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000237302524 277029662 /nfs/dbraw/zinc/02/96/62/277029662.db2.gz ZKYFEADHGPXADX-LBPRGKRZSA-N 1 0 306.366 1.099 20 5 DDBDRO C[NH+]1CCC(Nc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CC1 ZINC000280931668 277031831 /nfs/dbraw/zinc/03/18/31/277031831.db2.gz HKWFLZIALWAIEC-UHFFFAOYSA-N 1 0 303.322 1.750 20 5 DDBDRO COC[C@]1(CNC(=O)c2cccc(C)c2[N+](=O)[O-])CCC[NH2+]1 ZINC000262506849 277609455 /nfs/dbraw/zinc/60/94/55/277609455.db2.gz MNBUQLPBJFNQSL-OAHLLOKOSA-N 1 0 307.350 1.402 20 5 DDBDRO CO[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2C)[C@H](C[NH3+])C1 ZINC000262327479 277742156 /nfs/dbraw/zinc/74/21/56/277742156.db2.gz SAFAHVQBDBSDQE-STQMWFEESA-N 1 0 307.350 1.482 20 5 DDBDRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000179710537 278179939 /nfs/dbraw/zinc/17/99/39/278179939.db2.gz ODCGDVVUYJLXJR-LLVKDONJSA-N 1 0 317.349 1.568 20 5 DDBDRO C[C@@H](C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)[C@H](C)[NH3+] ZINC000182848642 278192949 /nfs/dbraw/zinc/19/29/49/278192949.db2.gz LZNVVVXRNRISMK-NEPJUHHUSA-N 1 0 306.366 1.227 20 5 DDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1COC[C@H]1n1ccnn1 ZINC000449312045 278298787 /nfs/dbraw/zinc/29/87/87/278298787.db2.gz PANSCORBYOBMLR-CORIIIEPSA-N 1 0 317.349 1.347 20 5 DDBDRO Cc1ccc(C)c(S(=O)(=O)NC[C@H]([NH3+])C2CC2)c1[N+](=O)[O-] ZINC000193315123 280798986 /nfs/dbraw/zinc/79/89/86/280798986.db2.gz YKMCDWMKHCHZSV-NSHDSACASA-N 1 0 313.379 1.227 20 5 DDBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)CC[NH+]1CCCC1 ZINC000089898416 281027229 /nfs/dbraw/zinc/02/72/29/281027229.db2.gz KVVWHQWGECHTAA-CYBMUJFWSA-N 1 0 320.393 1.949 20 5 DDBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2c2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000290732646 290182305 /nfs/dbraw/zinc/18/23/05/290182305.db2.gz GCQVBDUUNXUHKH-ZYHUDNBSSA-N 1 0 319.365 1.009 20 5 DDBDRO O=C(NCC[C@H]1CCC[NH2+]1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000444273510 295654863 /nfs/dbraw/zinc/65/48/63/295654863.db2.gz QADWAEPRDPLODS-SNVBAGLBSA-N 1 0 321.333 1.238 20 5 DDBDRO CCOc1ccc(C(=O)NC[C@@H]2CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000354233671 298375663 /nfs/dbraw/zinc/37/56/63/298375663.db2.gz AMGAJODIZOSZPC-NSHDSACASA-N 1 0 307.350 1.675 20 5 DDBDRO O=c1c([N+](=O)[O-])cc(Br)cn1CC1CC[NH2+]CC1 ZINC000573799325 304614644 /nfs/dbraw/zinc/61/46/44/304614644.db2.gz JSHXKQMXQDPGOK-UHFFFAOYSA-N 1 0 316.155 1.519 20 5 DDBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000357303138 299005420 /nfs/dbraw/zinc/00/54/20/299005420.db2.gz FYIURWOZJCBWSO-BFQNTYOBSA-N 1 0 321.377 1.866 20 5 DDBDRO C[C@@H](CNC(=O)c1nn(C)cc1[N+](=O)[O-])[N@@H+]1CCCC[C@H]1C ZINC000357965269 299034793 /nfs/dbraw/zinc/03/47/93/299034793.db2.gz QTTVCIBXTITYGH-MNOVXSKESA-N 1 0 309.370 1.321 20 5 DDBDRO Cn1cc([N+](=O)[O-])c(C(=O)N2CCC(C[NH+]3CCCC3)CC2)n1 ZINC000362664650 300113551 /nfs/dbraw/zinc/11/35/51/300113551.db2.gz KDVBAGWIPFOPRV-UHFFFAOYSA-N 1 0 321.381 1.276 20 5 DDBDRO C[NH+](C)CCN1CCCN(c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000362891200 300171065 /nfs/dbraw/zinc/17/10/65/300171065.db2.gz SVJZQGKHUUTOPB-UHFFFAOYSA-N 1 0 310.373 1.808 20 5 DDBDRO O=C(NC1CC[NH+](CCc2ccccc2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000363305886 300248743 /nfs/dbraw/zinc/24/87/43/300248743.db2.gz UNPPXEBNRRDBIT-HZPDHXFCSA-N 1 0 317.389 1.475 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[N@@H+]([C@H](C)CO)CC1 ZINC000364209510 300357384 /nfs/dbraw/zinc/35/73/84/300357384.db2.gz BRJBKHCNFVXUJK-CYBMUJFWSA-N 1 0 321.377 1.432 20 5 DDBDRO CC(C)NC(=O)CC[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000364322584 300376184 /nfs/dbraw/zinc/37/61/84/300376184.db2.gz GRIWGSLDIYEUDT-LBPRGKRZSA-N 1 0 309.370 1.343 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@H]2CCCC[C@H]2[C@@H]2CCOC2)c1 ZINC000365069351 300477949 /nfs/dbraw/zinc/47/79/49/300477949.db2.gz KLUUFJQYPBCYJZ-VHDGCEQUSA-N 1 0 308.382 1.976 20 5 DDBDRO CC(C)[C@@H](C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)[NH+](C)C ZINC000365926862 300610217 /nfs/dbraw/zinc/61/02/17/300610217.db2.gz GDIVFBYCNZPXHF-AWEZNQCLSA-N 1 0 323.397 1.541 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000367463112 300849003 /nfs/dbraw/zinc/84/90/03/300849003.db2.gz FOXNIVWTPCNBBW-FZMZJTMJSA-N 1 0 318.377 1.997 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000368351025 301008680 /nfs/dbraw/zinc/00/86/80/301008680.db2.gz ADTGRRZVQIYQJF-INIZCTEOSA-N 1 0 319.361 1.771 20 5 DDBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000368496645 301041394 /nfs/dbraw/zinc/04/13/94/301041394.db2.gz QLSUXYVDPACIBR-XKZLPGLHSA-N 1 0 307.325 1.766 20 5 DDBDRO C[C@H]1[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCC12CCOCC2 ZINC000368810581 301091873 /nfs/dbraw/zinc/09/18/73/301091873.db2.gz OOECYWHQNRSTFQ-TZMCWYRMSA-N 1 0 324.381 1.043 20 5 DDBDRO C[C@H]1CN(c2ccc([N+](=O)[O-])cn2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000374312939 301790555 /nfs/dbraw/zinc/79/05/55/301790555.db2.gz SRBAGOSZCAVVAB-DZGCQCFKSA-N 1 0 319.409 1.452 20 5 DDBDRO CC[C@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1c([N+](=O)[O-])ncn1C ZINC000375869461 302007721 /nfs/dbraw/zinc/00/77/21/302007721.db2.gz AGBULJABLODGJF-QWHCGFSZSA-N 1 0 307.398 1.777 20 5 DDBDRO O=c1[nH]c(N2CC[NH+]3CCC2CC3)nc2ccc([N+](=O)[O-])cc21 ZINC000376477375 302082236 /nfs/dbraw/zinc/08/22/36/302082236.db2.gz QACJIFHUWZARDE-UHFFFAOYSA-N 1 0 315.333 1.528 20 5 DDBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CCCc3c2cnn3CCO)c1 ZINC000376519219 302089762 /nfs/dbraw/zinc/08/97/62/302089762.db2.gz IGIILVDMMJECQQ-OAHLLOKOSA-N 1 0 316.361 1.951 20 5 DDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000377481812 302183987 /nfs/dbraw/zinc/18/39/87/302183987.db2.gz OPIPQXOXQITNGV-CABCVRRESA-N 1 0 319.361 1.117 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000377740570 302223802 /nfs/dbraw/zinc/22/38/02/302223802.db2.gz CQTVNLNXDJIHMS-MNOVXSKESA-N 1 0 305.334 1.285 20 5 DDBDRO Cc1ncsc1C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000516175122 302785358 /nfs/dbraw/zinc/78/53/58/302785358.db2.gz DZGXWEWBJGTZEJ-NSHDSACASA-N 1 0 323.374 1.889 20 5 DDBDRO Cc1nn(CCC(=O)NCC[NH2+]C(C)(C)C)c(C)c1[N+](=O)[O-] ZINC000097594163 302805320 /nfs/dbraw/zinc/80/53/20/302805320.db2.gz HFLAQOFICULXLY-UHFFFAOYSA-N 1 0 311.386 1.303 20 5 DDBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000531804458 303257903 /nfs/dbraw/zinc/25/79/03/303257903.db2.gz ZPGCKLGGYGKRCB-NHYWBVRUSA-N 1 0 318.377 1.877 20 5 DDBDRO C[C@@H](CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)[NH+]1CCCC1 ZINC000541846802 303429703 /nfs/dbraw/zinc/42/97/03/303429703.db2.gz WEZQPMYXRKVROH-JTQLQIEISA-N 1 0 321.333 1.538 20 5 DDBDRO CN1CCC([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000562986130 303906629 /nfs/dbraw/zinc/90/66/29/303906629.db2.gz ONVSIHSAZNZSIS-ZDUSSCGKSA-N 1 0 309.366 1.018 20 5 DDBDRO CN(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]CC1 ZINC000364640540 307049204 /nfs/dbraw/zinc/04/92/04/307049204.db2.gz IVEHGEOMSBDWOD-LLVKDONJSA-N 1 0 322.321 1.717 20 5 DDBDRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000364755329 307050430 /nfs/dbraw/zinc/05/04/30/307050430.db2.gz PSKYWIGMEZPYDL-UHOFOFEASA-N 1 0 317.389 1.993 20 5 DDBDRO Cc1nn(C)c(C(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1[N+](=O)[O-] ZINC000371226770 307145420 /nfs/dbraw/zinc/14/54/20/307145420.db2.gz CKRJXSXAYPGWJR-VXGBXAGGSA-N 1 0 321.381 1.241 20 5 DDBDRO C[C@@H]1[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)CCC12CCOCC2 ZINC000375243277 307219482 /nfs/dbraw/zinc/21/94/82/307219482.db2.gz WICBLJBSSBMTMH-ZDUSSCGKSA-N 1 0 321.377 1.648 20 5 DDBDRO CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000376301689 307242552 /nfs/dbraw/zinc/24/25/52/307242552.db2.gz HTFUGVZZEAGRCO-ARFHVFGLSA-N 1 0 317.389 1.775 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000376643034 307251147 /nfs/dbraw/zinc/25/11/47/307251147.db2.gz MSTRXQXZQSUFFX-SMDDNHRTSA-N 1 0 304.350 1.464 20 5 DDBDRO O=C(Nc1ccncc1[N+](=O)[O-])N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000376875152 307257517 /nfs/dbraw/zinc/25/75/17/307257517.db2.gz ILLOSPNNURBPIE-WDEREUQCSA-N 1 0 305.338 1.160 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@H]2CCC[C@H]2CO)c1 ZINC000564976750 308015327 /nfs/dbraw/zinc/01/53/27/308015327.db2.gz WPCLJNZVEIFGCM-WHOFXGATSA-N 1 0 310.350 1.085 20 5 DDBDRO CC[C@](C)(C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)OC ZINC000566120424 308044161 /nfs/dbraw/zinc/04/41/61/308044161.db2.gz QFKLTWQQBGUFNH-UKRRQHHQSA-N 1 0 312.366 1.739 20 5 DDBDRO CC[NH+]1CCC(CNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000567555630 308083703 /nfs/dbraw/zinc/08/37/03/308083703.db2.gz TVVDRHGEXQXSLS-UHFFFAOYSA-N 1 0 308.338 1.157 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@H]2CCCC[C@@H]2O)c1 ZINC000569693472 308146077 /nfs/dbraw/zinc/14/60/77/308146077.db2.gz NLTGLWFLHLYCSQ-XPKDYRNWSA-N 1 0 324.377 1.475 20 5 DDBDRO CC1(C)[NH2+]CC[C@@H]1NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000570246449 308164250 /nfs/dbraw/zinc/16/42/50/308164250.db2.gz UXNJUHSCFNLIBH-LBPRGKRZSA-N 1 0 321.333 1.236 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000570449190 308169620 /nfs/dbraw/zinc/16/96/20/308169620.db2.gz OMEDHZUSSCQILM-NXEZZACHSA-N 1 0 310.354 1.528 20 5 DDBDRO O=C(CC[NH2+]CCC1CC(O)C1)Nc1ccccc1[N+](=O)[O-] ZINC000572960732 308229187 /nfs/dbraw/zinc/22/91/87/308229187.db2.gz MQEBSILPRLSBGA-UHFFFAOYSA-N 1 0 307.350 1.674 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCCc2cccc(F)c2)c1 ZINC000573713003 308250176 /nfs/dbraw/zinc/25/01/76/308250176.db2.gz HICWJAWANGOASZ-OAHLLOKOSA-N 1 0 322.340 1.514 20 5 DDBDRO C[C@@H](CCCC(F)(F)F)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000575175112 308271778 /nfs/dbraw/zinc/27/17/78/308271778.db2.gz FRAWYHSRFUDTQS-GXSJLCMTSA-N 1 0 324.303 1.863 20 5 DDBDRO CC[NH+]1CCC(CNc2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000576571365 308323868 /nfs/dbraw/zinc/32/38/68/308323868.db2.gz WXRBCWNPCLCEKU-UHFFFAOYSA-N 1 0 307.354 1.233 20 5 DDBDRO Cc1ccc([C@H](C)C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000576749157 308336661 /nfs/dbraw/zinc/33/66/61/308336661.db2.gz NGNZRHMOQXJVHD-CJNGLKHVSA-N 1 0 318.377 1.854 20 5 DDBDRO COC1(C(=O)N2CCc3c2cccc3[N+](=O)[O-])CC[NH2+]CC1 ZINC000577376811 308383375 /nfs/dbraw/zinc/38/33/75/308383375.db2.gz MTCUQRULGIHSFR-UHFFFAOYSA-N 1 0 305.334 1.253 20 5 DDBDRO O=C(Cc1ccccc1[N+](=O)[O-])N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000578315483 308453072 /nfs/dbraw/zinc/45/30/72/308453072.db2.gz UNBJHPWJNQVNIG-MRXNPFEDSA-N 1 0 303.362 1.739 20 5 DDBDRO CN(C1(C[NH3+])CCC1)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000385375935 325754355 /nfs/dbraw/zinc/75/43/55/325754355.db2.gz YDDNCDCPBLSQQH-UHFFFAOYSA-N 1 0 313.379 1.238 20 5 DDBDRO COc1cccc(C(=O)N2[C@@H]3CC[C@H]2CC[N@@H+](C)C3)c1[N+](=O)[O-] ZINC000584301065 332228827 /nfs/dbraw/zinc/22/88/27/332228827.db2.gz ISIYLWPUAARCTN-NWDGAFQWSA-N 1 0 319.361 1.912 20 5 DDBDRO CC[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccncc1 ZINC000582778296 337153561 /nfs/dbraw/zinc/15/35/61/337153561.db2.gz PZTLDDIQPKLLLL-KGLIPLIRSA-N 1 0 305.338 1.288 20 5 DDBDRO Cn1cnc(CC[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000563000462 484329342 /nfs/dbraw/zinc/32/93/42/484329342.db2.gz MNUDQIFBEFSYAI-UHFFFAOYSA-N 1 0 317.349 1.489 20 5 DDBDRO Cc1cc(S(=O)(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)ccc1[N+](=O)[O-] ZINC000447248245 534036141 /nfs/dbraw/zinc/03/61/41/534036141.db2.gz TXWWCQDQOHIANU-GHMZBOCLSA-N 1 0 313.379 1.261 20 5 DDBDRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000417232473 534187114 /nfs/dbraw/zinc/18/71/14/534187114.db2.gz MJMJGEWGBBINAM-JSGCOSHPSA-N 1 0 320.393 1.906 20 5 DDBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430967256 534298513 /nfs/dbraw/zinc/29/85/13/534298513.db2.gz REJNYMNSDSEULT-IJLUTSLNSA-N 1 0 306.366 1.591 20 5 DDBDRO NC(=O)c1ccc(C[N@@H+]2CCC[C@@]3(CCOC3)C2)c([N+](=O)[O-])c1 ZINC000451900845 534481535 /nfs/dbraw/zinc/48/15/35/534481535.db2.gz MGBFDXBGVUIBOV-MRXNPFEDSA-N 1 0 319.361 1.696 20 5 DDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000449688310 534703324 /nfs/dbraw/zinc/70/33/24/534703324.db2.gz GDXUHBLMZBLQMT-HUUCEWRRSA-N 1 0 317.389 1.985 20 5 DDBDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000445132746 527969382 /nfs/dbraw/zinc/96/93/82/527969382.db2.gz GYHZMFCAICFXRB-UWVGGRQHSA-N 1 0 308.338 1.250 20 5 DDBDRO CCOC(=O)c1ccnc(N[C@@H]2CCC[C@@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000420234296 528273774 /nfs/dbraw/zinc/27/37/74/528273774.db2.gz HKUPPYQEDUDYCQ-NXEZZACHSA-N 1 0 308.338 1.848 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)c1 ZINC000422840461 528610402 /nfs/dbraw/zinc/61/04/02/528610402.db2.gz BMOPKDCGMVKXMN-GWCFXTLKSA-N 1 0 307.350 1.803 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000423673941 528691828 /nfs/dbraw/zinc/69/18/28/528691828.db2.gz ANTHDHIEOIUZMN-NEPJUHHUSA-N 1 0 319.361 1.818 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCC([NH2+]C)CC1 ZINC000422816543 528692021 /nfs/dbraw/zinc/69/20/21/528692021.db2.gz ARCXBBBMMJZWKZ-UHFFFAOYSA-N 1 0 307.350 1.818 20 5 DDBDRO CCCC[C@@H](C[NH3+])NC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000422903727 528817586 /nfs/dbraw/zinc/81/75/86/528817586.db2.gz OZLXYBMXAXVWJY-LBPRGKRZSA-N 1 0 323.349 1.629 20 5 DDBDRO CC(C)[C@H](C(=O)NCCNc1ccc([N+](=O)[O-])cc1)[C@@H](C)[NH3+] ZINC000422931661 528917518 /nfs/dbraw/zinc/91/75/18/528917518.db2.gz CHGWEIZDJIZCJU-RISCZKNCSA-N 1 0 308.382 1.742 20 5 DDBDRO CCC([NH3+])(CC)CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000429664443 528946953 /nfs/dbraw/zinc/94/69/53/528946953.db2.gz WSDAWPMZHODBLQ-UHFFFAOYSA-N 1 0 323.349 1.613 20 5 DDBDRO CC1(C)C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@@H]2COC[C@@H]21 ZINC000452126293 529120791 /nfs/dbraw/zinc/12/07/91/529120791.db2.gz ZXQCBBFMCRBTQT-QWHCGFSZSA-N 1 0 307.350 1.113 20 5 DDBDRO [NH3+][C@@H]1CCCC[C@H]1NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000038050115 696135801 /nfs/dbraw/zinc/13/58/01/696135801.db2.gz OZCPTELRDQMOII-CHWSQXEVSA-N 1 0 313.379 1.284 20 5 DDBDRO CCN([C@H]1CC[NH2+]C1)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000071312723 696391753 /nfs/dbraw/zinc/39/17/53/696391753.db2.gz FCTMOLITYVULGZ-ZDUSSCGKSA-N 1 0 313.379 1.108 20 5 DDBDRO COC[C@@H](O)C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000130234398 696796192 /nfs/dbraw/zinc/79/61/92/696796192.db2.gz LANASAZDDMFUGR-SNPRPXQTSA-N 1 0 308.378 1.903 20 5 DDBDRO C[C@H]1CN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)C[C@H](C)[NH2+]1 ZINC000153814326 696922172 /nfs/dbraw/zinc/92/21/72/696922172.db2.gz WCCNQQGUNQKLSF-UWVGGRQHSA-N 1 0 311.313 1.322 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H](CO)C3CC3)CC2)cc1 ZINC000772987948 697701734 /nfs/dbraw/zinc/70/17/34/697701734.db2.gz MYEBQOSMEKELCO-INIZCTEOSA-N 1 0 305.378 1.924 20 5 DDBDRO C[C@@H]1OCC[C@@]1(O)C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000227145450 697768829 /nfs/dbraw/zinc/76/88/29/697768829.db2.gz HRPFRCOQOSCAJW-TVQRCGJNSA-N 1 0 300.742 1.878 20 5 DDBDRO COC1(CO)CC[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000773945805 697825961 /nfs/dbraw/zinc/82/59/61/697825961.db2.gz PDBHOBGLJAASJC-CQSZACIVSA-N 1 0 310.350 1.102 20 5 DDBDRO O=[N+]([O-])c1cnn(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000246383740 698348675 /nfs/dbraw/zinc/34/86/75/698348675.db2.gz OVAIUKVHOSXOKK-WFASDCNBSA-N 1 0 305.382 1.698 20 5 DDBDRO CCN(CC)C(=O)C1CCN(Cn2cc([N+](=O)[O-])c(C)n2)CC1 ZINC000779858782 698476473 /nfs/dbraw/zinc/47/64/73/698476473.db2.gz FCZQOOFHHZMMDH-UHFFFAOYSA-N 1 0 323.397 1.638 20 5 DDBDRO C[C@H](CNC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[NH+](C)C ZINC000781571921 698631640 /nfs/dbraw/zinc/63/16/40/698631640.db2.gz LOYLKQOTPKEOJK-SNVBAGLBSA-N 1 0 324.337 1.502 20 5 DDBDRO COc1ccc(NC(=S)NC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000782205578 698696257 /nfs/dbraw/zinc/69/62/57/698696257.db2.gz BJRHBUOYCFSMEC-UHFFFAOYSA-N 1 0 324.406 1.984 20 5 DDBDRO C[C@H]1CC[C@H]1[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000783225181 698821256 /nfs/dbraw/zinc/82/12/56/698821256.db2.gz PBUHGMUJXJGWIJ-GXFFZTMASA-N 1 0 313.379 1.261 20 5 DDBDRO Nc1c(F)c(NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)ccc1[N+](=O)[O-] ZINC000785801486 699102670 /nfs/dbraw/zinc/10/26/70/699102670.db2.gz RENPUGLXZAKPHK-VHSXEESVSA-N 1 0 310.329 1.591 20 5 DDBDRO C[NH2+]CCN(C(C)C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000720770039 699308643 /nfs/dbraw/zinc/30/86/43/699308643.db2.gz RJEQIYJCELQGOV-UHFFFAOYSA-N 1 0 301.368 1.213 20 5 DDBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000725376424 699331234 /nfs/dbraw/zinc/33/12/34/699331234.db2.gz WQMHAEIDLDKJCR-CYBMUJFWSA-N 1 0 311.363 1.111 20 5 DDBDRO C[C@H]([NH2+][C@@H]1CC(=O)N([C@H]2C[C@@H]2C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788665599 699332695 /nfs/dbraw/zinc/33/26/95/699332695.db2.gz PBVIHWKOZYBSKX-XVMOGABASA-N 1 0 318.377 1.837 20 5 DDBDRO C[NH+](C)CCn1cc(NC(=O)c2cc(F)ccc2[N+](=O)[O-])cn1 ZINC000726944239 699389582 /nfs/dbraw/zinc/38/95/82/699389582.db2.gz ZNLUSCXTMWWBFN-UHFFFAOYSA-N 1 0 321.312 1.744 20 5 DDBDRO Cc1c(C[N@H+](C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)cnn1C ZINC000790453192 699461377 /nfs/dbraw/zinc/46/13/77/699461377.db2.gz QBNQBNQYZDONHU-OAHLLOKOSA-N 1 0 304.350 1.802 20 5 DDBDRO CNC(=O)C1([NH2+]CCOc2cccc([N+](=O)[O-])c2)CCCC1 ZINC000733998761 699631335 /nfs/dbraw/zinc/63/13/35/699631335.db2.gz DKIMFQUGPCQWOA-UHFFFAOYSA-N 1 0 307.350 1.622 20 5 DDBDRO CNC(=O)C1([NH2+]CCOc2ccccc2[N+](=O)[O-])CCCC1 ZINC000734000103 699631626 /nfs/dbraw/zinc/63/16/26/699631626.db2.gz RKNGVSJLXRKXBE-UHFFFAOYSA-N 1 0 307.350 1.622 20 5 DDBDRO COC[C@H]1CCC[N@@H+]1Cn1nc(C)c2cc([N+](=O)[O-])cnc21 ZINC000751947720 700328915 /nfs/dbraw/zinc/32/89/15/700328915.db2.gz UULXJUBGHWDPRT-LLVKDONJSA-N 1 0 305.338 1.716 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(NCCCN2CCC[N@@H+](C)CC2)n1 ZINC000765483510 701015008 /nfs/dbraw/zinc/01/50/08/701015008.db2.gz SZZSKMYCRVFFDW-UHFFFAOYSA-N 1 0 307.398 1.738 20 5 DDBDRO COC(=O)c1ccc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000809734339 701683751 /nfs/dbraw/zinc/68/37/51/701683751.db2.gz DOVWGPLZEBHQKU-UHFFFAOYSA-N 1 0 318.333 1.675 20 5 DDBDRO O=C(N[C@H](C[NH+]1CCCCC1)c1ccccc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839689148 701784145 /nfs/dbraw/zinc/78/41/45/701784145.db2.gz KJRUVWAFVXYWDJ-BZUAXINKSA-N 1 0 317.389 1.995 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCCCCCNC(=O)CC1 ZINC000879257697 706631328 /nfs/dbraw/zinc/63/13/28/706631328.db2.gz RDDSGROJEVLFPO-UHFFFAOYSA-N 1 0 323.397 1.482 20 5 DDBDRO C[C@H]1CN(Cn2cc([N+](=O)[O-])cn2)CC[N@@H+]1Cc1ccccc1 ZINC000840179365 702015745 /nfs/dbraw/zinc/01/57/45/702015745.db2.gz RBXMSAWBLNSXOK-AWEZNQCLSA-N 1 0 315.377 1.955 20 5 DDBDRO C[N@@H+]1CCCC[C@@H]1CCOC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000840218222 702032582 /nfs/dbraw/zinc/03/25/82/702032582.db2.gz CBAKMWCWASWULI-GFCCVEGCSA-N 1 0 323.349 1.174 20 5 DDBDRO Cc1cc(C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)c(N)c([N+](=O)[O-])c1 ZINC000818018154 702555722 /nfs/dbraw/zinc/55/57/22/702555722.db2.gz JAKSUWFGZFIBOW-HNNXBMFYSA-N 1 0 304.350 1.454 20 5 DDBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H]1COCCN1C ZINC000866398387 706689364 /nfs/dbraw/zinc/68/93/64/706689364.db2.gz ODOVGCXHSYRORB-SMDDNHRTSA-N 1 0 311.357 1.585 20 5 DDBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N(C)C1C[NH2+]C1 ZINC000842866930 702784859 /nfs/dbraw/zinc/78/48/59/702784859.db2.gz JZCPSACZHWMXRW-UHFFFAOYSA-N 1 0 319.770 1.149 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CC[C@@H](O)C(F)(F)F)cc1 ZINC000843074199 702813953 /nfs/dbraw/zinc/81/39/53/702813953.db2.gz XYAUCBUYVIMGBF-WDEREUQCSA-N 1 0 308.256 1.531 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCc1nc(CC2CC[NH2+]CC2)no1 ZINC000843136350 702826781 /nfs/dbraw/zinc/82/67/81/702826781.db2.gz WKCMSYJKIVYTAX-UHFFFAOYSA-N 1 0 320.353 1.268 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCc1nc(C2CC[NH2+]CC2)no1 ZINC000843139798 702827211 /nfs/dbraw/zinc/82/72/11/702827211.db2.gz MUEAOGQXHJUABF-UHFFFAOYSA-N 1 0 306.326 1.192 20 5 DDBDRO O=[N+]([O-])c1ccc(Cc2noc(C[C@H]3CSCC[NH2+]3)n2)nc1 ZINC000843191330 702838092 /nfs/dbraw/zinc/83/80/92/702838092.db2.gz DNYYBSHBTRCCCX-JTQLQIEISA-N 1 0 321.362 1.211 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1-c1noc([C@@H]2CC23CC[NH2+]CC3)n1 ZINC000843223257 702845254 /nfs/dbraw/zinc/84/52/54/702845254.db2.gz NPDVADDZFIIASN-QMMMGPOBSA-N 1 0 304.310 1.235 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N[C@H]2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000843467898 702887812 /nfs/dbraw/zinc/88/78/12/702887812.db2.gz KXPMGZLOMFXUEG-NSHDSACASA-N 1 0 322.321 1.683 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000879564386 706718871 /nfs/dbraw/zinc/71/88/71/706718871.db2.gz ZQNKABISTZYTBL-NEPJUHHUSA-N 1 0 309.391 1.441 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1-c1noc([C@@H]2CC[C@@H](C3CC3)[NH2+]2)n1 ZINC000844917647 703084786 /nfs/dbraw/zinc/08/47/86/703084786.db2.gz UUAURHADQRRFLL-IUCAKERBSA-N 1 0 304.310 1.581 20 5 DDBDRO C[C@@H](C(=O)NOC1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000846651088 703308649 /nfs/dbraw/zinc/30/86/49/703308649.db2.gz YEZCVVNFYUJISU-LLVKDONJSA-N 1 0 307.350 1.840 20 5 DDBDRO C[C@H](NC(=O)N[C@H](C[NH3+])C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000848598639 703568041 /nfs/dbraw/zinc/56/80/41/703568041.db2.gz OKMPXEJBHZZXAT-OIBJUYFYSA-N 1 0 320.271 1.845 20 5 DDBDRO COC(CC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1)OC ZINC000851728880 703839004 /nfs/dbraw/zinc/83/90/04/703839004.db2.gz DQTJTHBLYAYBSJ-UHFFFAOYSA-N 1 0 309.366 1.726 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CC[C@@H](Cn3ccnn3)C2)cc1 ZINC000852313494 704007234 /nfs/dbraw/zinc/00/72/34/704007234.db2.gz IHIBQZHFUCGHFS-IUODEOHRSA-N 1 0 317.349 1.242 20 5 DDBDRO COC(=O)N1CCC[C@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819002003 704048669 /nfs/dbraw/zinc/04/86/69/704048669.db2.gz HEIWUBUIZBFBSM-JSGCOSHPSA-N 1 0 323.349 1.449 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H]2CCc3n[nH]cc3C2)c1 ZINC000819169609 704080406 /nfs/dbraw/zinc/08/04/06/704080406.db2.gz NICZOIJKJJZWJR-SWLSCSKDSA-N 1 0 302.334 1.498 20 5 DDBDRO O=C1C[C@H](C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CN1C1CC1 ZINC000819217861 704088655 /nfs/dbraw/zinc/08/86/55/704088655.db2.gz HHQQRJKGRUESRG-ABAIWWIYSA-N 1 0 319.361 1.229 20 5 DDBDRO C[C@H](C[C@@H]1CCCC[N@@H+]1C)OC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000870789515 704132601 /nfs/dbraw/zinc/13/26/01/704132601.db2.gz HFZLOLUEBLJUSD-OLZOCXBDSA-N 1 0 324.381 1.988 20 5 DDBDRO [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000852854057 704148697 /nfs/dbraw/zinc/14/86/97/704148697.db2.gz XXMCOQBOQVVIPU-JQWIXIFHSA-N 1 0 313.741 1.228 20 5 DDBDRO C[C@@]1(NS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC[NH2+]C1 ZINC000853082343 704192952 /nfs/dbraw/zinc/19/29/52/704192952.db2.gz HLSAVJZNAQZMIB-LLVKDONJSA-N 1 0 319.770 1.279 20 5 DDBDRO CNc1nccc(C(=O)N2CC[N@H+](C)C(C)(C)CC2)c1[N+](=O)[O-] ZINC000871158048 704234455 /nfs/dbraw/zinc/23/44/55/704234455.db2.gz LRUDZIDFZQPUOC-UHFFFAOYSA-N 1 0 321.381 1.588 20 5 DDBDRO Cc1noc(COC(=O)C2CC[NH+](C3CC3)CC2)c1[N+](=O)[O-] ZINC000853916839 704334809 /nfs/dbraw/zinc/33/48/09/704334809.db2.gz VYZDMKITFUJDDJ-UHFFFAOYSA-N 1 0 309.322 1.809 20 5 DDBDRO Cc1ccc(N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c([N+](=O)[O-])c1 ZINC000853965079 704341293 /nfs/dbraw/zinc/34/12/93/704341293.db2.gz DLYYIRYQHBVFKB-CQSZACIVSA-N 1 0 305.378 1.939 20 5 DDBDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000855163131 704471729 /nfs/dbraw/zinc/47/17/29/704471729.db2.gz SYCVAGYSIKKEFR-KGLIPLIRSA-N 1 0 321.377 1.617 20 5 DDBDRO C[C@H](CCNC(=O)COc1ccc([N+](=O)[O-])c(F)c1)[NH+](C)C ZINC000855411063 704483608 /nfs/dbraw/zinc/48/36/08/704483608.db2.gz MHRNUGGBPKFURI-SNVBAGLBSA-N 1 0 313.329 1.569 20 5 DDBDRO O=C(N[C@@H]1CCC[NH2+]C1)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857762742 704621582 /nfs/dbraw/zinc/62/15/82/704621582.db2.gz AKKWWEBDTMMKRI-SECBINFHSA-N 1 0 315.276 1.435 20 5 DDBDRO C[C@@H](NC(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1)[C@H](C)[NH3+] ZINC000857766720 704622427 /nfs/dbraw/zinc/62/24/27/704622427.db2.gz VPIBMWWKKCINPF-JGVFFNPUSA-N 1 0 303.265 1.418 20 5 DDBDRO O=[N+]([O-])c1cccnc1N1CCN(c2cc[nH+]c(CO)c2)CC1 ZINC000858565189 704727881 /nfs/dbraw/zinc/72/78/81/704727881.db2.gz JKPZULUJGQQMFH-UHFFFAOYSA-N 1 0 315.333 1.204 20 5 DDBDRO CC[N@@H+]1CCCN(C(=O)Cn2c(C)ncc2[N+](=O)[O-])[C@@H](C)C1 ZINC000822568764 704976773 /nfs/dbraw/zinc/97/67/73/704976773.db2.gz HZMHUUJOONQETQ-NSHDSACASA-N 1 0 309.370 1.042 20 5 DDBDRO COc1cc(Cc2noc([C@@H]3C[C@@H]3[NH3+])n2)c([N+](=O)[O-])c(OC)c1 ZINC000823145667 705152255 /nfs/dbraw/zinc/15/22/55/705152255.db2.gz IJTDLQZJXYSGCQ-ZJUUUORDSA-N 1 0 320.305 1.400 20 5 DDBDRO CN(C(=O)NCCc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[N@H+](C)C1 ZINC000893877085 710871161 /nfs/dbraw/zinc/87/11/61/710871161.db2.gz RXYLAKIAGIKINF-OAHLLOKOSA-N 1 0 320.393 1.873 20 5 DDBDRO O=C(c1cc(F)ccc1[N+](=O)[O-])N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000861708571 705545599 /nfs/dbraw/zinc/54/55/99/705545599.db2.gz AZGKGERYDGYHCS-NEPJUHHUSA-N 1 0 323.324 1.015 20 5 DDBDRO C[C@H]1CCC[N@H+](CCNC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000825098963 705599384 /nfs/dbraw/zinc/59/93/84/705599384.db2.gz RAHWASLORUWKMO-WFASDCNBSA-N 1 0 321.377 1.476 20 5 DDBDRO Cc1cc(F)cc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)c1[N+](=O)[O-] ZINC000861911538 705601832 /nfs/dbraw/zinc/60/18/32/705601832.db2.gz VBVSEKPPRKKWLQ-IMRBUKKESA-N 1 0 307.325 1.674 20 5 DDBDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000825471960 705677341 /nfs/dbraw/zinc/67/73/41/705677341.db2.gz FVZGOJPTJOZFHC-SWLSCSKDSA-N 1 0 321.377 1.475 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@@H]1C[C@H]([NH+](C)C)C12CCC2 ZINC000825527929 705687921 /nfs/dbraw/zinc/68/79/21/705687921.db2.gz UPRSDUWCTDXDAC-NEPJUHHUSA-N 1 0 321.381 1.089 20 5 DDBDRO CN(CC[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)CC(F)(F)F ZINC000877028150 705964433 /nfs/dbraw/zinc/96/44/33/705964433.db2.gz ZEPFUEUVNXQEFD-UHFFFAOYSA-N 1 0 321.303 1.579 20 5 DDBDRO CS[C@@H](CO)[C@@H](C)[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877048529 705971679 /nfs/dbraw/zinc/97/16/79/705971679.db2.gz LZOQOPZOOJMWLY-QARRAHMOSA-N 1 0 300.384 1.197 20 5 DDBDRO C[C@@H]1CC[C@@H](NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)C[NH2+]1 ZINC000877050195 705972183 /nfs/dbraw/zinc/97/21/83/705972183.db2.gz YZUSFMMQAKLMRG-NXEZZACHSA-N 1 0 311.313 1.369 20 5 DDBDRO CC1(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)OCCO1 ZINC000877118242 705989174 /nfs/dbraw/zinc/98/91/74/705989174.db2.gz SPKBSDGNRPFSIO-UHFFFAOYSA-N 1 0 322.365 1.311 20 5 DDBDRO COc1ccc(C(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)cc1[N+](=O)[O-] ZINC000877289604 706050450 /nfs/dbraw/zinc/05/04/50/706050450.db2.gz VKOXVKQQCXPXOY-VXGBXAGGSA-N 1 0 305.334 1.570 20 5 DDBDRO Cn1cc(C[N@@H+]2CCC[C@@H](C3(C)OCCO3)C2)c([N+](=O)[O-])n1 ZINC000877316030 706061283 /nfs/dbraw/zinc/06/12/83/706061283.db2.gz HBEABNBFTSWBIB-GFCCVEGCSA-N 1 0 310.354 1.303 20 5 DDBDRO O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)c1cccc([N+](=O)[O-])c1 ZINC000877336233 706068292 /nfs/dbraw/zinc/06/82/92/706068292.db2.gz IBJVHZTUQPTYFT-AWEZNQCLSA-N 1 0 319.361 1.483 20 5 DDBDRO CCOC(=O)[C@@H](C)C1CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000871993206 707272181 /nfs/dbraw/zinc/27/21/81/707272181.db2.gz MQTQIZYNXVNXQL-XHDPSFHLSA-N 1 0 322.361 1.759 20 5 DDBDRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)CSc1ccc([N+](=O)[O-])cc1)C2 ZINC000877378664 706086522 /nfs/dbraw/zinc/08/65/22/706086522.db2.gz RHDOQNINNAMEJK-XHDPSFHLSA-N 1 0 321.402 1.755 20 5 DDBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000877394532 706093697 /nfs/dbraw/zinc/09/36/97/706093697.db2.gz VSILITKJYWQYBT-GOEBONIOSA-N 1 0 303.362 1.928 20 5 DDBDRO CC[C@@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)[C@H](O)C(F)F ZINC000877560755 706143350 /nfs/dbraw/zinc/14/33/50/706143350.db2.gz AEMHAHPKEIKNLD-BRDNZBMFSA-N 1 0 304.297 1.489 20 5 DDBDRO C[C@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)[C@@H](O)C(F)(F)F ZINC000877693120 706180883 /nfs/dbraw/zinc/18/08/83/706180883.db2.gz BTYRCMQSQZRJPI-GFYAPUPRSA-N 1 0 308.260 1.396 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CCC(CO)(CO)CC1 ZINC000877796642 706218871 /nfs/dbraw/zinc/21/88/71/706218871.db2.gz RHBJLVBPUXLDGS-UHFFFAOYSA-N 1 0 308.378 1.778 20 5 DDBDRO CO[C@H]1C[C@@H](C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000878251477 706338979 /nfs/dbraw/zinc/33/89/79/706338979.db2.gz MZYFDUJSHNFIDQ-SGMGOOAPSA-N 1 0 306.366 1.901 20 5 DDBDRO CN(C(=O)Cc1cccc(F)c1[N+](=O)[O-])[C@H]1CC[N@@H+](C2CC2)C1 ZINC000865718307 706504699 /nfs/dbraw/zinc/50/46/99/706504699.db2.gz XXVAVMNAPLHXSH-ZDUSSCGKSA-N 1 0 321.352 1.972 20 5 DDBDRO O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N[C@@H]1CCC[NH2+]CC1 ZINC000834579060 707089364 /nfs/dbraw/zinc/08/93/64/707089364.db2.gz KZLZOWIDSSHYBS-GFCCVEGCSA-N 1 0 317.349 1.203 20 5 DDBDRO CCc1nn(C)c(NCCN2CCOC[C@H]2CC)c1[N+](=O)[O-] ZINC000872771861 707593120 /nfs/dbraw/zinc/59/31/20/707593120.db2.gz MBDIZBZIYOSFRW-LLVKDONJSA-N 1 0 311.386 1.413 20 5 DDBDRO CC1([NH+]2CCC2)CCN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC1 ZINC000882499854 707668334 /nfs/dbraw/zinc/66/83/34/707668334.db2.gz OHSRKWJQFYREEP-UHFFFAOYSA-N 1 0 320.349 1.396 20 5 DDBDRO Cc1c(C[NH2+]CCOCCS(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000873061302 707713797 /nfs/dbraw/zinc/71/37/97/707713797.db2.gz RJFAUTMRGCAXFU-UHFFFAOYSA-N 1 0 316.379 1.054 20 5 DDBDRO CON1CCC([N@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000839131964 708028977 /nfs/dbraw/zinc/02/89/77/708028977.db2.gz SDERXQQMHXIZHO-HNNXBMFYSA-N 1 0 309.366 1.586 20 5 DDBDRO C[C@H](NC(=O)C1C[NH+]([C@H]2CCOC2)C1)c1ccccc1[N+](=O)[O-] ZINC000897306972 708285754 /nfs/dbraw/zinc/28/57/54/708285754.db2.gz FICQEDFXOXOAJV-AAEUAGOBSA-N 1 0 319.361 1.493 20 5 DDBDRO O=[N+]([O-])c1cnc(N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c2ccccc21 ZINC000884548958 708327542 /nfs/dbraw/zinc/32/75/42/708327542.db2.gz WNVFXQLYNWBHRL-NWDGAFQWSA-N 1 0 314.345 1.398 20 5 DDBDRO C[C@H](CS(C)(=O)=O)[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000897463778 708339212 /nfs/dbraw/zinc/33/92/12/708339212.db2.gz IUPMBQXLMGXPJX-GHMZBOCLSA-N 1 0 300.380 1.721 20 5 DDBDRO COc1cc(NCC[N@H+](C)CCO)c(Cl)cc1[N+](=O)[O-] ZINC000884826003 708388876 /nfs/dbraw/zinc/38/88/76/708388876.db2.gz CKVJKSUNKRMTES-UHFFFAOYSA-N 1 0 303.746 1.593 20 5 DDBDRO C[C@@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000912649890 713060511 /nfs/dbraw/zinc/06/05/11/713060511.db2.gz FKZMUGKROZACKO-GHMZBOCLSA-N 1 0 309.370 1.653 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@H]([NH+](C)C)C23CCC3)n1 ZINC000898833557 708883466 /nfs/dbraw/zinc/88/34/66/708883466.db2.gz VIECBHKWIXLROF-RYUDHWBXSA-N 1 0 321.381 1.414 20 5 DDBDRO COCC[C@@H]1C[NH2+]CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000900486359 709618501 /nfs/dbraw/zinc/61/85/01/709618501.db2.gz RRZPJCGWQYQQSU-CYBMUJFWSA-N 1 0 308.338 1.437 20 5 DDBDRO COc1cc(C(=O)N2CC[C@H]([NH+]3CCC3)C2)ccc1[N+](=O)[O-] ZINC000912917727 713123749 /nfs/dbraw/zinc/12/37/49/713123749.db2.gz MORKFTAZHCTKCP-LBPRGKRZSA-N 1 0 305.334 1.524 20 5 DDBDRO O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912924498 713126509 /nfs/dbraw/zinc/12/65/09/713126509.db2.gz WWJMMJXWWGMIQH-GFCCVEGCSA-N 1 0 314.345 1.996 20 5 DDBDRO COc1ccc(C(=O)N2CC[C@H]([NH+]3CCC3)C2)cc1[N+](=O)[O-] ZINC000912928714 713127080 /nfs/dbraw/zinc/12/70/80/713127080.db2.gz QWROACWJSRARMU-LBPRGKRZSA-N 1 0 305.334 1.524 20 5 DDBDRO C[C@H](NC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc([N+](=O)[O-])c1 ZINC000891381365 710179752 /nfs/dbraw/zinc/17/97/52/710179752.db2.gz IWYJOZXTURAWBK-WCFLWFBJSA-N 1 0 304.350 1.802 20 5 DDBDRO COCCN(CCOC)Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000891450175 710204852 /nfs/dbraw/zinc/20/48/52/710204852.db2.gz KTDDQPWOLSHDGA-UHFFFAOYSA-N 1 0 314.338 1.404 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000891741798 710280718 /nfs/dbraw/zinc/28/07/18/710280718.db2.gz UICQHVBPOZOTMI-GFCCVEGCSA-N 1 0 309.370 1.019 20 5 DDBDRO CO[C@H]1CC[C@H]1[N@H+](C)Cn1nc(C)c2cc([N+](=O)[O-])cnc21 ZINC000902635598 710830593 /nfs/dbraw/zinc/83/05/93/710830593.db2.gz AWYHMDWWNQMIRW-OLZOCXBDSA-N 1 0 305.338 1.715 20 5 DDBDRO CCNc1ccc(C(=O)NC[C@@H]2CC[N@@H+]2CC)cc1[N+](=O)[O-] ZINC000893872823 710867603 /nfs/dbraw/zinc/86/76/03/710867603.db2.gz WMJZUPMFQCTJOO-LBPRGKRZSA-N 1 0 306.366 1.851 20 5 DDBDRO COC(=O)c1cc(C)nc(N2CC[C@@H]3C[N@H+](C)C[C@H]32)c1[N+](=O)[O-] ZINC000893942029 710894666 /nfs/dbraw/zinc/89/46/66/710894666.db2.gz YQFCSHAPEIVHQU-ZYHUDNBSSA-N 1 0 320.349 1.225 20 5 DDBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000928560789 713227150 /nfs/dbraw/zinc/22/71/50/713227150.db2.gz VLOUWVGMLIPRFL-HIFRSBDPSA-N 1 0 305.378 1.984 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@]1(CO)COCCN1C ZINC000903282451 711087916 /nfs/dbraw/zinc/08/79/16/711087916.db2.gz UCKHLHASZQFUDU-BBRMVZONSA-N 1 0 323.393 1.247 20 5 DDBDRO C[NH2+]C[C@@H]1CCCCN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000903529610 711172103 /nfs/dbraw/zinc/17/21/03/711172103.db2.gz MOQSSTKJOVPKSY-ZDUSSCGKSA-N 1 0 320.393 1.997 20 5 DDBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)C(F)(F)C1CC[NH2+]CC1 ZINC000912273854 711254164 /nfs/dbraw/zinc/25/41/64/711254164.db2.gz KPYHRIACFJDSIC-UHFFFAOYSA-N 1 0 313.304 1.846 20 5 DDBDRO O=C(CN1CCC[C@]12CC[NH2+]C2)Nc1ccccc1[N+](=O)[O-] ZINC000903864401 711307706 /nfs/dbraw/zinc/30/77/06/711307706.db2.gz UFXZSFQXEGVLNH-OAHLLOKOSA-N 1 0 304.350 1.361 20 5 DDBDRO [NH3+][C@@H](CC(F)F)CN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000903912329 711328251 /nfs/dbraw/zinc/32/82/51/711328251.db2.gz DDIHLZFEIIJUBR-VIFPVBQESA-N 1 0 303.313 1.411 20 5 DDBDRO C[C@@H]1[C@@H](Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC[N@@H+]1C ZINC000895737877 711591333 /nfs/dbraw/zinc/59/13/33/711591333.db2.gz GDCHUZWKTVPIMR-KOLCDFICSA-N 1 0 304.350 1.984 20 5 DDBDRO Cc1ccc(CNC(=O)N2CC[C@@H]3C[N@@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000896219941 711693492 /nfs/dbraw/zinc/69/34/92/711693492.db2.gz JMEWOKOFZXWPCK-UKRRQHHQSA-N 1 0 318.377 1.749 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CCc2ccns2)c1 ZINC000905416452 712032464 /nfs/dbraw/zinc/03/24/64/712032464.db2.gz AZWJRSKZZMEVDC-LBPRGKRZSA-N 1 0 323.374 1.623 20 5 DDBDRO O=C1C[C@@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CN1CC1CC1 ZINC000905452089 712041388 /nfs/dbraw/zinc/04/13/88/712041388.db2.gz MUWRXCTVXANAGW-HIFRSBDPSA-N 1 0 319.361 1.229 20 5 DDBDRO CCO[C@H](CNC[C@H](O)c1cccc([N+](=O)[O-])c1)C[NH+](C)C ZINC000905577775 712084146 /nfs/dbraw/zinc/08/41/46/712084146.db2.gz BOORPHKLJLUQNL-CABCVRRESA-N 1 0 311.382 1.185 20 5 DDBDRO C[C@H](C[NH2+]C[C@H](O)C1(O)CCCC1)c1ccccc1[N+](=O)[O-] ZINC000905645403 712105310 /nfs/dbraw/zinc/10/53/10/712105310.db2.gz YBSSZDVTUXFQAV-DOMZBBRYSA-N 1 0 308.378 1.954 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]Cc2cnn(CCF)c2)c1 ZINC000905657495 712109036 /nfs/dbraw/zinc/10/90/36/712109036.db2.gz UZAGWNBXPOMVAH-AWEZNQCLSA-N 1 0 308.313 1.584 20 5 DDBDRO C[NH+](C)CCCNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000915280076 713415364 /nfs/dbraw/zinc/41/53/64/713415364.db2.gz BZNQXHLOIHAFFP-UHFFFAOYSA-N 1 0 305.338 1.012 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(CN2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)c1 ZINC000931280410 714055736 /nfs/dbraw/zinc/05/57/36/714055736.db2.gz FQKXEFPMBUNDIT-NHAGDIPZSA-N 1 0 319.361 1.373 20 5 DDBDRO COCC[N@H+](C)CCNC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000931627341 714141766 /nfs/dbraw/zinc/14/17/66/714141766.db2.gz NVLMIROGUDLLCA-CABCVRRESA-N 1 0 321.377 1.393 20 5 DDBDRO C[NH2+]C[C@H]1CCCCN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000923422688 714351045 /nfs/dbraw/zinc/35/10/45/714351045.db2.gz IVDHQPOUDKHUFI-ZIAGYGMSSA-N 1 0 323.393 1.408 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1[C@H](C)C[NH2+][C@@H](C)[C@H]1C ZINC000923439420 714356033 /nfs/dbraw/zinc/35/60/33/714356033.db2.gz DCFZEZGBVGUJAZ-FRRDWIJNSA-N 1 0 320.393 1.912 20 5 DDBDRO C[C@@H]1C[NH2+][C@@H](C)[C@@H](C)N1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000923440952 714356485 /nfs/dbraw/zinc/35/64/85/714356485.db2.gz JPQTUTZLNCJWAT-GRYCIOLGSA-N 1 0 306.366 1.604 20 5 DDBDRO O=[N+]([O-])c1cccc(F)c1CN1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000934258285 714777480 /nfs/dbraw/zinc/77/74/80/714777480.db2.gz CMKGNSJLIGXJAX-JKSUJKDBSA-N 1 0 323.368 1.765 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2CCOC23CCOCC3)c1 ZINC000934401048 714811240 /nfs/dbraw/zinc/81/12/40/714811240.db2.gz VHINGASQCBWQQD-HUUCEWRRSA-N 1 0 322.361 1.556 20 5 DDBDRO COc1ccc(NC(=O)COC2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000935508435 715073969 /nfs/dbraw/zinc/07/39/69/715073969.db2.gz GXICHSFKKSQVAQ-UHFFFAOYSA-N 1 0 323.349 1.653 20 5 DDBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000935694701 715118745 /nfs/dbraw/zinc/11/87/45/715118745.db2.gz ZPIWXMCAEPAHCR-PHIMTYICSA-N 1 0 321.402 1.950 20 5 DDBDRO CC(C)[NH+]1CCC2(CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CC1 ZINC000957550086 715951057 /nfs/dbraw/zinc/95/10/57/715951057.db2.gz JAVGTRPRNGHDHZ-ZIAGYGMSSA-N 1 0 309.410 1.765 20 5 DDBDRO Cc1nc(C(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)co1 ZINC001126161666 738433663 /nfs/dbraw/zinc/43/36/63/738433663.db2.gz RCZZWAHEXYTJSU-UHFFFAOYSA-N 1 0 310.335 1.472 20 5 DDBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)c1cn[nH]c1 ZINC001021863811 733626197 /nfs/dbraw/zinc/62/61/97/733626197.db2.gz TZGKTODSTIFIPM-BETUJISGSA-N 1 0 315.333 1.369 20 5 DDBDRO Cc1cccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c1 ZINC001022061909 734367894 /nfs/dbraw/zinc/36/78/94/734367894.db2.gz ZJUNEQVMXPERPY-LXTVHRRPSA-N 1 0 303.362 1.397 20 5 DDBDRO O=C(N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3F)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025775376 736852772 /nfs/dbraw/zinc/85/27/72/736852772.db2.gz UBZFKFHAJDHALR-AMVBZWJASA-N 1 0 319.336 1.037 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(NCCCN2CC[NH+](C)CC2)n1 ZINC001161700675 740661984 /nfs/dbraw/zinc/66/19/84/740661984.db2.gz PAJLYVSICUBWDE-UHFFFAOYSA-N 1 0 309.370 1.048 20 5 DDBDRO CCOC(=O)c1ccc(N[C@H]2C[NH2+]CC[C@H]2F)c([N+](=O)[O-])c1 ZINC001168230571 741833471 /nfs/dbraw/zinc/83/34/71/741833471.db2.gz DQKOGBQHXOGLQP-PWSUYJOCSA-N 1 0 311.313 1.883 20 5 DDBDRO CCn1c([C@H](C)[N+](=O)[O-])nnc1N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC001121698904 744859752 /nfs/dbraw/zinc/85/97/52/744859752.db2.gz LUVJVWAONGESML-SRVKXCTJSA-N 1 0 308.386 1.166 20 5 DDBDRO CCC[N@H+](C)CC(=O)N(CC)CCNc1ncccc1[N+](=O)[O-] ZINC001106809529 746138681 /nfs/dbraw/zinc/13/86/81/746138681.db2.gz WVEKPILTOIRYHN-UHFFFAOYSA-N 1 0 323.397 1.592 20 5 DDBDRO O=[N+]([O-])c1cc(F)c(CN2C[C@H](CCO)[C@H](CO)C2)c(F)c1 ZINC001198755105 747600141 /nfs/dbraw/zinc/60/01/41/747600141.db2.gz XKVFQBZOMOBVQL-UWVGGRQHSA-N 1 0 316.304 1.296 20 5 DDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([NH2+]CCC(F)(F)F)CC1 ZINC001200472533 748265149 /nfs/dbraw/zinc/26/51/49/748265149.db2.gz QVNJYHNFOBPPJC-NXEZZACHSA-N 1 0 309.288 1.185 20 5 DDBDRO [NH3+][C@H]1CCc2nn(-c3ncc4cccc([N+](=O)[O-])c4n3)cc2C1 ZINC001168816420 762027694 /nfs/dbraw/zinc/02/76/94/762027694.db2.gz QAHXMSDAERJJMX-NSHDSACASA-N 1 0 310.317 1.540 20 5 DDBDRO COc1ccc(C[C@H](CO)[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1 ZINC001168983706 762151221 /nfs/dbraw/zinc/15/12/21/762151221.db2.gz KVMVPPQLRHWWDB-QLFBSQMISA-N 1 0 308.378 1.634 20 5 DDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2ccnc(OC3CCC3)n2)C1 ZINC001168994620 762167635 /nfs/dbraw/zinc/16/76/35/762167635.db2.gz QNAKDNIQRGRGGL-RYUDHWBXSA-N 1 0 306.366 1.943 20 5 DDBDRO COC(=O)[C@H](C[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccccc1 ZINC001169006303 762174909 /nfs/dbraw/zinc/17/49/09/762174909.db2.gz XEMYOWHNMRRBIY-VHDGCEQUSA-N 1 0 306.362 1.978 20 5 DDBDRO CCOC[C@@H]1C[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)Cc2cnn(C)c21 ZINC001169018951 762199153 /nfs/dbraw/zinc/19/91/53/762199153.db2.gz FROZHUPOLHAYDY-VHDGCEQUSA-N 1 0 322.409 1.801 20 5 DDBDRO CCOC(=O)[C@@H]1C[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CCS1 ZINC001169046743 762204731 /nfs/dbraw/zinc/20/47/31/762204731.db2.gz MKCKNRQCOBDCHI-SRVKXCTJSA-N 1 0 302.396 1.412 20 5 DDBDRO Cc1cc(N([C@@H]2CC[C@H](C[N+](=O)[O-])C2)[C@H]2CC[NH2+]C2)ncn1 ZINC001169052523 762208089 /nfs/dbraw/zinc/20/80/89/762208089.db2.gz GWLUPOWYJZASGJ-MJBXVCDLSA-N 1 0 305.382 1.399 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CC[C@@H](N3CCOCC3)[C@@H](F)C2)C1 ZINC001169055291 762210320 /nfs/dbraw/zinc/21/03/20/762210320.db2.gz PBRGGDSERKFASP-APIJFGDWSA-N 1 0 315.389 1.176 20 5 DDBDRO CC(C)(C)c1cnc(-n2cncc2C[C@@H]([NH3+])CO)c([N+](=O)[O-])c1 ZINC001169070786 762218837 /nfs/dbraw/zinc/21/88/37/762218837.db2.gz BGXWAVRCYNABJB-LLVKDONJSA-N 1 0 319.365 1.335 20 5 DDBDRO COc1cnc(N2CCCc3ccc(C[NH3+])nc32)cc1[N+](=O)[O-] ZINC001169583925 762544052 /nfs/dbraw/zinc/54/40/52/762544052.db2.gz GRDWEYOOQVJGFW-UHFFFAOYSA-N 1 0 315.333 1.936 20 5 DDBDRO Cc1cc(F)ccc1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001020138935 760612913 /nfs/dbraw/zinc/61/29/13/760612913.db2.gz ISUPNFGMBCKZDE-KBUPBQIOSA-N 1 0 321.352 1.536 20 5 DDBDRO CN(CCCNc1ccc([N+](=O)[O-])cc1)C(=O)C[NH+]1CCCC1 ZINC001109454869 763724983 /nfs/dbraw/zinc/72/49/83/763724983.db2.gz WQBIKNJKBGOCGH-UHFFFAOYSA-N 1 0 320.393 1.951 20 5 DDBDRO COc1ccc(C[C@H](C)[NH2+]C[C@H]2CC(=O)N(C)C2)c([N+](=O)[O-])c1 ZINC001170306437 766231507 /nfs/dbraw/zinc/23/15/07/766231507.db2.gz VDGIMTPRFWKBJP-NWDGAFQWSA-N 1 0 321.377 1.602 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(NC[C@H]2O[C@H](C(C)C)O[C@@H]2C[NH3+])n1 ZINC001170277103 766232418 /nfs/dbraw/zinc/23/24/18/766232418.db2.gz MOVPCNMOINJQOQ-YRGRVCCFSA-N 1 0 310.354 1.435 20 5 DDBDRO CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[NH+](C/C=C\Cl)CC1 ZINC001045437645 766306166 /nfs/dbraw/zinc/30/61/66/766306166.db2.gz WSIUITIYZUCFHX-WPEWVOEUSA-N 1 0 301.774 1.375 20 5 DDBDRO O=C(CCn1ccnc1)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001132079670 768610251 /nfs/dbraw/zinc/61/02/51/768610251.db2.gz HTKUIRQDOUYCKQ-UHFFFAOYSA-N 1 0 317.349 1.087 20 5 DDBDRO Cc1nc(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)cs1 ZINC001132823060 769226839 /nfs/dbraw/zinc/22/68/39/769226839.db2.gz WKRBBNSLQVPFQS-UHFFFAOYSA-N 1 0 320.374 1.879 20 5 DDBDRO O=[N+]([O-])c1c(NCOc2ccccc2)ncnc1C1C[NH2+]C1 ZINC001170804511 771406513 /nfs/dbraw/zinc/40/65/13/771406513.db2.gz QACNZIUHOCXZJN-UHFFFAOYSA-N 1 0 301.306 1.520 20 5 DDBDRO C[NH+](C)CCC(=O)N[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC001097096832 771622437 /nfs/dbraw/zinc/62/24/37/771622437.db2.gz VSUSAVAVPOKHEC-XYPYZODXSA-N 1 0 324.356 1.745 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CCC([NH+](CC)CC)CC2)n1 ZINC001136668668 772073685 /nfs/dbraw/zinc/07/36/85/772073685.db2.gz YFYOSBZNLJEJJC-UHFFFAOYSA-N 1 0 323.397 1.758 20 5 DDBDRO C[NH+](C)[C@H]1CCCN(C(=O)c2[nH]nc([N+](=O)[O-])c2Cl)C1 ZINC001143878047 772325681 /nfs/dbraw/zinc/32/56/81/772325681.db2.gz VRONNNBHWWSJAF-ZETCQYMHSA-N 1 0 301.734 1.138 20 5 DDBDRO [NH3+]C[C@@H]1COc2ccccc2N1c1c(F)c([N+](=O)[O-])cc[n+]1[O-] ZINC001171390243 774345441 /nfs/dbraw/zinc/34/54/41/774345441.db2.gz UWJDRQATSVABAV-SECBINFHSA-N 1 0 320.280 1.225 20 5 DDBDRO O=C(NCCNc1ccc([N+](=O)[O-])cc1F)C12CC[NH+](CC1)C2 ZINC001093769178 775066562 /nfs/dbraw/zinc/06/65/62/775066562.db2.gz XVZLPVQAJBJSPT-UHFFFAOYSA-N 1 0 322.340 1.358 20 5 DDBDRO O=C(C[NH+]1CCCC1)NCCCNc1ccc(F)cc1[N+](=O)[O-] ZINC001094434856 775858668 /nfs/dbraw/zinc/85/86/68/775858668.db2.gz VKHYSORWDICWRO-UHFFFAOYSA-N 1 0 324.356 1.748 20 5 DDBDRO C[NH+](C)CCCCC(=O)NCCCNc1ncccc1[N+](=O)[O-] ZINC001094509606 775959570 /nfs/dbraw/zinc/95/95/70/775959570.db2.gz TTXJWXYAUCGIST-UHFFFAOYSA-N 1 0 323.397 1.640 20 5 DDBDRO CCOC(=O)c1cc(Nc2nccnc2C[NH3+])ccc1[N+](=O)[O-] ZINC001171448578 776045318 /nfs/dbraw/zinc/04/53/18/776045318.db2.gz BRVHDHVAICBODJ-UHFFFAOYSA-N 1 0 317.305 1.764 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@@H]1CCOC[C@H]1O)CC2 ZINC001172902357 776916120 /nfs/dbraw/zinc/91/61/20/776916120.db2.gz XQXPUARGNGDPKP-FVQBIDKESA-N 1 0 306.362 1.582 20 5 DDBDRO CC(=O)NC1C[NH+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172916513 776930016 /nfs/dbraw/zinc/93/00/16/776930016.db2.gz SSEISSRFRWYKOP-OAHLLOKOSA-N 1 0 303.362 1.663 20 5 DDBDRO COC(=O)CCC(=O)C[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173216414 777049161 /nfs/dbraw/zinc/04/91/61/777049161.db2.gz JDKMIZQJXCGCNT-LLVKDONJSA-N 1 0 308.334 1.638 20 5 DDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@]1(C)CCC(=O)NC1=O ZINC001173218503 777050080 /nfs/dbraw/zinc/05/00/80/777050080.db2.gz KGSOYYMSSVODBU-BMIGLBTASA-N 1 0 305.334 1.311 20 5 DDBDRO Cc1cc([N+](=O)[O-])cnc1NCCN(C)C(=O)C[N@@H+](C)C(C)C ZINC001101657841 777354894 /nfs/dbraw/zinc/35/48/94/777354894.db2.gz SUVLSADPMSKHSS-UHFFFAOYSA-N 1 0 323.397 1.509 20 5 DDBDRO CC[N@H+](C)CCC(=O)NCC1(Nc2ccc([N+](=O)[O-])cn2)CC1 ZINC001110227876 779267893 /nfs/dbraw/zinc/26/78/93/779267893.db2.gz QBPLLFFVLWHJLF-UHFFFAOYSA-N 1 0 321.381 1.392 20 5 DDBDRO C[NH2+][C@@H](C)CCNS(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 ZINC001118175842 781053109 /nfs/dbraw/zinc/05/31/09/781053109.db2.gz CRTGOEVPPTXMDH-VIFPVBQESA-N 1 0 319.358 1.319 20 5 DDBDRO Cn1c(C(=O)N[C@@H]2[C@@H]3CCC[NH2+][C@H]3C2(C)C)ccc1[N+](=O)[O-] ZINC001119363621 781421118 /nfs/dbraw/zinc/42/11/18/781421118.db2.gz QTIOBBRUIINADF-OASPWFOLSA-N 1 0 306.366 1.440 20 5 DDBDRO CN(C(=O)NCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@H+](C)C1 ZINC001119938552 781689456 /nfs/dbraw/zinc/68/94/56/781689456.db2.gz IWDQMPZJCPLLAZ-OAHLLOKOSA-N 1 0 320.393 1.873 20 5 DDBDRO C[NH2+][C@H](C)CCNS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC001345931703 836170782 /nfs/dbraw/zinc/17/07/82/836170782.db2.gz PBMOLJLBUGYGLL-LLVKDONJSA-N 1 0 315.395 1.055 20 5 DDBDRO CCC(C)(C)C(=O)N(C)CC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001267421756 838013962 /nfs/dbraw/zinc/01/39/62/838013962.db2.gz OLEAAFAXEOVGJX-UHFFFAOYSA-N 1 0 311.386 1.313 20 5 DDBDRO COCC(=O)N(C)CC(C)(C)C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001282280481 840010432 /nfs/dbraw/zinc/01/04/32/840010432.db2.gz OPIBODZRGILYBD-UHFFFAOYSA-N 1 0 323.393 1.815 20 5 DDBDRO CCOCC(=O)NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001269369134 841569611 /nfs/dbraw/zinc/56/96/11/841569611.db2.gz XPTYIIOFYCRLLX-UHFFFAOYSA-N 1 0 307.350 1.370 20 5 DDBDRO CCc1nc(C)c(C[NH2+]CCN(CC)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])o1 ZINC001273376725 849743104 /nfs/dbraw/zinc/74/31/04/849743104.db2.gz YHVQBEYZGCUYIB-VXGBXAGGSA-N 1 0 324.381 1.149 20 5 DDBDRO O=[N+]([O-])c1cc(Cl)cnc1NCC[C@H]1CCOC12C[NH2+]C2 ZINC001155472127 862127695 /nfs/dbraw/zinc/12/76/95/862127695.db2.gz YJDITWJMGVYYQD-VIFPVBQESA-N 1 0 312.757 1.824 20 5 DDBDRO O=[N+]([O-])c1cnc(NCc2noc3c2C[NH2+]CC3)c([N+](=O)[O-])c1 ZINC001155497383 862163141 /nfs/dbraw/zinc/16/31/41/862163141.db2.gz NAFKOLKZCLASKD-UHFFFAOYSA-N 1 0 320.265 1.144 20 5 DDBDRO O=[N+]([O-])c1cnc(N[C@H]2CCO[C@]3(CC[NH2+]C3)C2)c(Cl)c1 ZINC001155619106 862299161 /nfs/dbraw/zinc/29/91/61/862299161.db2.gz NRWDTCOSEGSZBF-TVQRCGJNSA-N 1 0 312.757 1.966 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N[C@H]1C[NH+]2CCC1CC2 ZINC001155662847 862353316 /nfs/dbraw/zinc/35/33/16/862353316.db2.gz PWIUSOVMCZAVLH-LBPRGKRZSA-N 1 0 306.322 1.283 20 5 DDBDRO COc1cc(C(=O)N2CCC[C@]23CC[NH2+]C3)ccc1[N+](=O)[O-] ZINC001122411979 858797675 /nfs/dbraw/zinc/79/76/75/858797675.db2.gz OXIMHSJHEGNVNY-OAHLLOKOSA-N 1 0 305.334 1.572 20 5 DDBDRO Cc1cccc(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)n1 ZINC001123726234 859380542 /nfs/dbraw/zinc/38/05/42/859380542.db2.gz YOMHXCMQLMVTOX-UHFFFAOYSA-N 1 0 314.345 1.818 20 5 DDBDRO C[N+](C)(C)CCCO[C@H]1CCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC001224621432 881475751 /nfs/dbraw/zinc/47/57/51/881475751.db2.gz UXYDAKLGRFDTND-AWEZNQCLSA-N 1 0 309.390 1.681 20 5 DDBDRO O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC001326031918 861054560 /nfs/dbraw/zinc/05/45/60/861054560.db2.gz WAERYXYYTDYIID-UHFFFAOYSA-N 1 0 320.349 1.301 20 5 DDBDRO Cc1nc(CC[NH3+])nn1-c1ccc([N+](=O)[O-])c(OC(C)C)n1 ZINC001158132768 864449784 /nfs/dbraw/zinc/44/97/84/864449784.db2.gz RQVRSEAQLTUYLR-UHFFFAOYSA-N 1 0 306.326 1.167 20 5 DDBDRO COC(=O)[C@]12CC[NH2+][C@@H]1CN(c1ncc([N+](=O)[O-])cc1C)CC2 ZINC001158634463 864773083 /nfs/dbraw/zinc/77/30/83/864773083.db2.gz CAZMYQRSLJHZRE-DOMZBBRYSA-N 1 0 320.349 1.030 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC([N@@H+](C)[C@H]3CCOC3)C2)n1 ZINC001158731688 864867512 /nfs/dbraw/zinc/86/75/12/864867512.db2.gz UJFJTIOBIQDIGN-LBPRGKRZSA-N 1 0 306.366 1.516 20 5 DDBDRO C[NH+]1CC2(CN(c3ccc(-c4ccc([N+](=O)[O-])cc4)nn3)C2)C1 ZINC001158865752 864945147 /nfs/dbraw/zinc/94/51/47/864945147.db2.gz BXZZTJKLUVYLHR-UHFFFAOYSA-N 1 0 311.345 1.804 20 5 DDBDRO [NH3+]Cc1ccc2nnn(-c3ncc(Cl)cc3[N+](=O)[O-])c2c1 ZINC001159026589 865053042 /nfs/dbraw/zinc/05/30/42/865053042.db2.gz LCGPOGAFBKRVKC-UHFFFAOYSA-N 1 0 304.697 1.836 20 5 DDBDRO [NH3+]C[C@H]1COc2ccccc2N1c1ncc(F)cc1[N+](=O)[O-] ZINC001160196888 865723210 /nfs/dbraw/zinc/72/32/10/865723210.db2.gz YPFBDOPPVUMFEV-JTQLQIEISA-N 1 0 304.281 1.987 20 5 DDBDRO CC[C@@]1(c2nc(-c3c([N+](=O)[O-])nc(C)n3C)no2)CC[NH2+]C1 ZINC001332359389 865787772 /nfs/dbraw/zinc/78/77/72/865787772.db2.gz OQGJHRYZPMOPIE-CYBMUJFWSA-N 1 0 306.326 1.328 20 5 DDBDRO C[C@H]1[C@H](NC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)CC[N@@H+]1C ZINC001332403320 865815356 /nfs/dbraw/zinc/81/53/56/865815356.db2.gz PVVNHMYDBNDLAQ-IINYFYTJSA-N 1 0 304.350 1.713 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(Nc2ccc(C[NH3+])nc2)n1 ZINC001160406862 865819267 /nfs/dbraw/zinc/81/92/67/865819267.db2.gz WZMGTAOHRMGTAS-UHFFFAOYSA-N 1 0 303.278 1.374 20 5 DDBDRO COc1cc(N[C@H]2CC[NH2+]C[C@H]2C(F)(F)F)ncc1[N+](=O)[O-] ZINC001160735176 866086856 /nfs/dbraw/zinc/08/68/56/866086856.db2.gz CYGAKYYXOQRKDY-SFYZADRCSA-N 1 0 320.271 1.951 20 5 DDBDRO C[N@@H+]1CCC[C@@H]1CCNc1cc([N+](=O)[O-])cc(Cl)[n+]1[O-] ZINC001160970630 866232309 /nfs/dbraw/zinc/23/23/09/866232309.db2.gz MVODAUPGENPINI-SECBINFHSA-N 1 0 300.746 1.778 20 5 DDBDRO [NH3+]C/C=C/CNc1nc(C(F)(F)F)nc(Cl)c1[N+](=O)[O-] ZINC001160982047 866248036 /nfs/dbraw/zinc/24/80/36/866248036.db2.gz BGVHPOIADKRMCH-OWOJBTEDSA-N 1 0 311.651 1.984 20 5 DDBDRO C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001332976920 866306736 /nfs/dbraw/zinc/30/67/36/866306736.db2.gz UHRKTVXQFDWZAF-HOZRCZGOSA-N 1 0 301.346 1.849 20 5 DDBDRO O=[N+]([O-])c1cnn(CCc2nc([C@H]3C[NH+]4CCC3CC4)no2)c1 ZINC001320210998 866560671 /nfs/dbraw/zinc/56/06/71/866560671.db2.gz YSZUJMBFGCBHOK-LBPRGKRZSA-N 1 0 318.337 1.226 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])c(NC2CCN([C@H]3CC[NH2+]C3)CC2)n1 ZINC001161470893 866693532 /nfs/dbraw/zinc/69/35/32/866693532.db2.gz VLRUGGUERCBLLO-AWEZNQCLSA-N 1 0 319.409 1.845 20 5 DDBDRO COc1c(O)ccc(CN2CCC[C@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC001333676827 866927695 /nfs/dbraw/zinc/92/76/95/866927695.db2.gz BQXSBTBQAYVCNB-LBPRGKRZSA-N 1 0 309.366 1.835 20 5 DDBDRO CS(=O)(=O)N(CC[NH3+])c1cc2ccccc2c([N+](=O)[O-])c1 ZINC001162133983 867277673 /nfs/dbraw/zinc/27/76/73/867277673.db2.gz IDBWAOZQVDGFSI-UHFFFAOYSA-N 1 0 309.347 1.473 20 5 DDBDRO [NH3+]Cc1nc2cnccc2n1-c1cc(Cl)ncc1[N+](=O)[O-] ZINC001162213986 867343457 /nfs/dbraw/zinc/34/34/57/867343457.db2.gz ASEFFVUSCHZAGG-UHFFFAOYSA-N 1 0 304.697 1.836 20 5 DDBDRO Cc1cncc([N+](=O)[O-])c1NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001321169935 867372537 /nfs/dbraw/zinc/37/25/37/867372537.db2.gz LRWNAVKLDVUEPG-ZDUSSCGKSA-N 1 0 308.382 1.489 20 5 DDBDRO CCOCC(=O)NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001225904393 882104867 /nfs/dbraw/zinc/10/48/67/882104867.db2.gz VMJRRUXMNLZBSB-UHFFFAOYSA-N 1 0 321.377 1.712 20 5 DDBDRO COc1nc(NC[C@@]2(F)CCCC[NH2+]C2)nc(C)c1[N+](=O)[O-] ZINC001162579004 867658137 /nfs/dbraw/zinc/65/81/37/867658137.db2.gz CJYFEKSHQJRITI-CYBMUJFWSA-N 1 0 313.333 1.596 20 5 DDBDRO [NH3+]Cc1ccnn1-c1cnc(Oc2ccc([N+](=O)[O-])cc2)nc1 ZINC001162594065 867666841 /nfs/dbraw/zinc/66/68/41/867666841.db2.gz YXHNPOPVTIJUFR-UHFFFAOYSA-N 1 0 312.289 1.822 20 5 DDBDRO C[C@@H]([NH3+])c1nc2ccccc2n1-c1cc([N+](=O)[O-])c2nncn2c1 ZINC001162777015 867814017 /nfs/dbraw/zinc/81/40/17/867814017.db2.gz IWFUFDQQKBCGNI-SECBINFHSA-N 1 0 323.316 1.996 20 5 DDBDRO O=[N+]([O-])c1cnc(NC2CC3(C2)CCC[NH2+]C3)c([N+](=O)[O-])c1 ZINC001162982029 867972071 /nfs/dbraw/zinc/97/20/71/867972071.db2.gz ZRCHKMMXZTXFHD-UHFFFAOYSA-N 1 0 307.310 1.842 20 5 DDBDRO COc1cc([N+](=O)[O-])cnc1NC[C@@H]1OC[C@H]2C[NH2+]CC[C@H]21 ZINC001163159623 868172965 /nfs/dbraw/zinc/17/29/65/868172965.db2.gz KTMPCZQRHHOBCS-XWIASGKRSA-N 1 0 308.338 1.035 20 5 DDBDRO C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C[C@@H]2C1 ZINC001335370517 868255957 /nfs/dbraw/zinc/25/59/57/868255957.db2.gz LTLDTQDTHSMVEG-SDDRHHMPSA-N 1 0 306.366 1.725 20 5 DDBDRO COc1nc(NC2CCC(C[NH+](C)C)CC2)ncc1[N+](=O)[O-] ZINC001163296857 868320404 /nfs/dbraw/zinc/32/04/04/868320404.db2.gz WQTYCIBPIVSEON-UHFFFAOYSA-N 1 0 309.370 1.926 20 5 DDBDRO O=[N+]([O-])c1ccnc(Cl)c1N[C@@H]1CCO[C@@]2(CC[NH2+]C2)C1 ZINC001163308151 868332695 /nfs/dbraw/zinc/33/26/95/868332695.db2.gz BCHXODMSLFLBCM-RNCFNFMXSA-N 1 0 312.757 1.966 20 5 DDBDRO COC(=O)c1cc(C)nc(N(CCC[NH3+])C(C)C)c1[N+](=O)[O-] ZINC001164122587 868955983 /nfs/dbraw/zinc/95/59/83/868955983.db2.gz JUUONOMGLQHSDB-UHFFFAOYSA-N 1 0 310.354 1.648 20 5 DDBDRO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001337044397 869287092 /nfs/dbraw/zinc/28/70/92/869287092.db2.gz SRUXZKOXOURGOZ-KWCYVHTRSA-N 1 0 302.334 1.513 20 5 DDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC001337735037 869610936 /nfs/dbraw/zinc/61/09/36/869610936.db2.gz RRJVFKFRLHUQKX-GJZGRUSLSA-N 1 0 318.377 1.993 20 5 DDBDRO Cc1ocnc1C(=O)N(C)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001317572282 871111139 /nfs/dbraw/zinc/11/11/39/871111139.db2.gz HQHNNAJUMYNQOE-UHFFFAOYSA-N 1 0 318.333 1.753 20 5 DDBDRO CN(CC(=O)N1C[C@@H]([NH3+])C(C)(C)C1)c1ccccc1[N+](=O)[O-] ZINC001341080717 871494617 /nfs/dbraw/zinc/49/46/17/871494617.db2.gz QEVDEEBSIURQBQ-CYBMUJFWSA-N 1 0 306.366 1.227 20 5 DDBDRO COc1c(O)ccc(C[N@@H+]2CCC[C@H](CC(N)=O)C2)c1[N+](=O)[O-] ZINC001308578352 871514157 /nfs/dbraw/zinc/51/41/57/871514157.db2.gz NREQHTIYHPCCPM-SNVBAGLBSA-N 1 0 323.349 1.396 20 5 DDBDRO CC1(C)C[NH2+]C[C@@H]1NC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001341347947 871617027 /nfs/dbraw/zinc/61/70/27/871617027.db2.gz RYPUAJYLINNFAZ-IHRRRGAJSA-N 1 0 303.362 1.813 20 5 DDBDRO CCOc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)cc1[N+](=O)[O-] ZINC001341436416 871659003 /nfs/dbraw/zinc/65/90/03/871659003.db2.gz UWYYJRXCPSQICA-GRYCIOLGSA-N 1 0 305.334 1.616 20 5 DDBDRO NC(=O)[C@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC001205614117 871660569 /nfs/dbraw/zinc/66/05/69/871660569.db2.gz CDIXNUDXOZOTSW-ORHYLEIMSA-N 1 0 315.333 1.311 20 5 DDBDRO CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001341974058 871925092 /nfs/dbraw/zinc/92/50/92/871925092.db2.gz JAIKNPWQTCNBNV-SYQHCUMBSA-N 1 0 303.362 1.940 20 5 DDBDRO CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001341974050 871925517 /nfs/dbraw/zinc/92/55/17/871925517.db2.gz JAIKNPWQTCNBNV-DGAVXFQQSA-N 1 0 303.362 1.940 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001341985714 871935948 /nfs/dbraw/zinc/93/59/48/871935948.db2.gz ZQFACKOGQRWJIU-MRXNPFEDSA-N 1 0 319.361 1.718 20 5 DDBDRO Cc1nn(C)c(C(=O)N2CCCC[C@]23CCC[NH2+]C3)c1[N+](=O)[O-] ZINC001342142788 872034290 /nfs/dbraw/zinc/03/42/90/872034290.db2.gz YFAOMBBPWJERFP-OAHLLOKOSA-N 1 0 321.381 1.385 20 5 DDBDRO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCC(OC2C[NH2+]C2)CC1 ZINC001343373241 872601601 /nfs/dbraw/zinc/60/16/01/872601601.db2.gz KJABETNRAINLDH-UHFFFAOYSA-N 1 0 323.324 1.327 20 5 DDBDRO CC(C)Cn1c(C[N+](=O)[O-])nnc1N1CC[NH+](C(C)C)CC1 ZINC001344466547 873012130 /nfs/dbraw/zinc/01/21/30/873012130.db2.gz LXCHBALEUIZVGY-UHFFFAOYSA-N 1 0 310.402 1.241 20 5 DDBDRO COc1ccc(CC(=O)N[C@]23CCC[C@H]2C[NH2+]C3)cc1[N+](=O)[O-] ZINC001345716702 873486030 /nfs/dbraw/zinc/48/60/30/873486030.db2.gz WLVYLGRLIDCXNM-LRDDRELGSA-N 1 0 319.361 1.404 20 5 DDBDRO C[NH2+]C[C@@H](C)CNC(=O)NC[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001346460902 873762845 /nfs/dbraw/zinc/76/28/45/873762845.db2.gz ATARIOFRCARECF-VXGBXAGGSA-N 1 0 308.382 1.853 20 5 DDBDRO C[NH2+]C[C@H](C)CNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC001349386206 875146553 /nfs/dbraw/zinc/14/65/53/875146553.db2.gz LDXATYFZMHKWCF-QMMMGPOBSA-N 1 0 317.748 1.902 20 5 DDBDRO O=C(NC1CC[NH+](CCCCCF)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001227258284 882938434 /nfs/dbraw/zinc/93/84/34/882938434.db2.gz MRTUOVHGOBJLLA-CHWSQXEVSA-N 1 0 301.362 1.372 20 5 DDBDRO CCC1([NH3+])CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC001353137120 877142353 /nfs/dbraw/zinc/14/23/53/877142353.db2.gz OQUBFCBAAYSBMS-UHFFFAOYSA-N 1 0 307.350 1.704 20 5 DDBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H](O)COC2CCOCC2)cc1 ZINC001356535888 879092061 /nfs/dbraw/zinc/09/20/61/879092061.db2.gz XOWWIYPLXWYYAU-AWEZNQCLSA-N 1 0 310.350 1.241 20 5 DDBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N[C@]12CCC[C@H]1C[NH2+]C2 ZINC001356596051 879122880 /nfs/dbraw/zinc/12/28/80/879122880.db2.gz MKLPZXMZDWSOAK-WFASDCNBSA-N 1 0 304.350 1.536 20 5 DDBDRO COC(=O)c1c(CO[C@@H]2CCC[N@H+](C)C2)cccc1[N+](=O)[O-] ZINC001223292872 880908601 /nfs/dbraw/zinc/90/86/01/880908601.db2.gz BEYTXJHGYXPQCT-GFCCVEGCSA-N 1 0 308.334 1.992 20 5 DDBDRO COC(=O)[C@H](OC1CC[NH+](C)CC1)c1ccccc1[N+](=O)[O-] ZINC001223640322 881038567 /nfs/dbraw/zinc/03/85/67/881038567.db2.gz UMFAGTORXZEXAJ-CQSZACIVSA-N 1 0 308.334 1.920 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1c(F)ccc2cccnc21 ZINC001227921328 883233827 /nfs/dbraw/zinc/23/38/27/883233827.db2.gz UEHCKOAZMINHAV-GFCCVEGCSA-N 1 0 307.345 1.737 20 5 DDBDRO CC[N@@H+]1CC[C@@H](Oc2[nH]c(=O)nc3cc([N+](=O)[O-])ccc32)C1 ZINC001228242787 883404220 /nfs/dbraw/zinc/40/42/20/883404220.db2.gz RQCCDTDCWGZGRN-SNVBAGLBSA-N 1 0 304.306 1.717 20 5 DDBDRO C[N@@H+]1[C@@H]2C[C@@H](Oc3nc4c[nH]cc([N+](=O)[O-])c-4n3)[C@H]1CC(=O)C2 ZINC001230230131 884382261 /nfs/dbraw/zinc/38/22/61/884382261.db2.gz LJZMMSNYPGQDHQ-HNBZJPLGSA-N 1 0 317.305 1.049 20 5 DDBDRO CCN1CCc2cc(OC(=O)C[C@@H](O)C[N+](C)(C)C)ccc21 ZINC001233606818 887146776 /nfs/dbraw/zinc/14/67/76/887146776.db2.gz GFPRCNDAFPAQEB-CQSZACIVSA-N 1 0 307.414 1.432 20 5 DDBDRO COC(=O)c1cnc(OC2CC[NH+](C3CC3)CC2)c([N+](=O)[O-])c1 ZINC001233861620 887398895 /nfs/dbraw/zinc/39/88/95/887398895.db2.gz JRWGKMSGBBOIDF-UHFFFAOYSA-N 1 0 321.333 1.782 20 5 DDBDRO C[N@@H+]1CC[C@H](Oc2cc(N3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC001234361079 887905322 /nfs/dbraw/zinc/90/53/22/887905322.db2.gz XGEBWMVCIITNMU-ZDUSSCGKSA-N 1 0 307.350 1.514 20 5 DDBDRO C[C@H](C[N+](C)(C)C)Oc1cc(N2CCOCC2)ccc1[N+](=O)[O-] ZINC001234364146 887908469 /nfs/dbraw/zinc/90/84/69/887908469.db2.gz PRRDUUAKZHPADJ-CYBMUJFWSA-N 1 0 324.401 1.905 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3CCNC[C@@H]3F)CC2)cc1 ZINC001246085804 892408263 /nfs/dbraw/zinc/40/82/63/892408263.db2.gz IZMYRNDSEVCMNT-JKSUJKDBSA-N 1 0 322.384 1.853 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CCC[NH2+]CC2)c1F ZINC001246529244 892678540 /nfs/dbraw/zinc/67/85/40/892678540.db2.gz ROYLFAPAARBRMU-LLVKDONJSA-N 1 0 311.357 1.969 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001246638664 892761649 /nfs/dbraw/zinc/76/16/49/892761649.db2.gz BTVHVMQGCYQJDN-CZUORRHYSA-N 1 0 304.394 1.163 20 5 DDBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@@H]2C[C@@]23CC[NH2+]C3)n1 ZINC001247930245 893483365 /nfs/dbraw/zinc/48/33/65/893483365.db2.gz ZTCXWRFAFYWITB-ISVAXAHUSA-N 1 0 305.269 1.646 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@]2(CCNC2=O)C1 ZINC001254553087 896498560 /nfs/dbraw/zinc/49/85/60/896498560.db2.gz RWVQEIUHSFCQJW-WBMJQRKESA-N 1 0 303.362 1.738 20 5 DDBDRO CC(=O)N1CCC[C@H](C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254573992 896508561 /nfs/dbraw/zinc/50/85/61/896508561.db2.gz FDPLAHOICOVEIN-CZUORRHYSA-N 1 0 317.389 1.910 20 5 DDBDRO COC(=O)C1(C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCC1 ZINC001254584141 896516191 /nfs/dbraw/zinc/51/61/91/896516191.db2.gz QEFBHCITCOYGIF-CYBMUJFWSA-N 1 0 304.346 1.995 20 5 DDBDRO CC(=O)N[C@@H]1CCC[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254600392 896524425 /nfs/dbraw/zinc/52/44/25/896524425.db2.gz PNCYLLMBLZESCU-ZBFHGGJFSA-N 1 0 303.362 1.663 20 5 DDBDRO COC(=O)[C@@H]1C[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCCO1 ZINC001254610916 896530958 /nfs/dbraw/zinc/53/09/58/896530958.db2.gz MTWOTTIBRBDBGM-GJZGRUSLSA-N 1 0 320.345 1.326 20 5 DDBDRO C[NH+](C)C[C@@H]1COCCN1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254606864 896531602 /nfs/dbraw/zinc/53/16/02/896531602.db2.gz ISMVAIXCLXSZEI-JKSUJKDBSA-N 1 0 305.378 1.324 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC001263216308 900537599 /nfs/dbraw/zinc/53/75/99/900537599.db2.gz HYTJZNITWNJNEP-WDEREUQCSA-N 1 0 305.334 1.285 20 5 DDBDRO O=C(COc1cccc([N+](=O)[O-])c1)NC[C@H]1CCCCC[NH2+]1 ZINC001263250866 900547630 /nfs/dbraw/zinc/54/76/30/900547630.db2.gz SUAFCYABVSSVGB-GFCCVEGCSA-N 1 0 307.350 1.622 20 5 DDBDRO COCC(=O)NC[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001263853377 900768844 /nfs/dbraw/zinc/76/88/44/900768844.db2.gz SSMUNOOCWRKXIK-JOCQHMNTSA-N 1 0 307.350 1.226 20 5 DDBDRO CCC1(C(=O)N[C@H]2C[C@H]([NH2+]Cc3c([N+](=O)[O-])ncn3C)C2)CC1 ZINC001265494619 902069992 /nfs/dbraw/zinc/06/99/92/902069992.db2.gz RKELRPYSBYVTTC-XYPYZODXSA-N 1 0 321.381 1.255 20 5 DDBDRO CCCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC001265709902 902328679 /nfs/dbraw/zinc/32/86/79/902328679.db2.gz WHWSLWXLGLKUNK-FOLVSLTJSA-N 1 0 303.362 1.941 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)n1 ZINC000248671350 282098523 /nfs/dbraw/zinc/09/85/23/282098523.db2.gz QSCYALNLGWISIQ-VXGBXAGGSA-N 1 0 323.397 1.661 20 5 DDBDRO COC[C@H](C)OC[C@@H](O)C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000278442457 214157009 /nfs/dbraw/zinc/15/70/09/214157009.db2.gz WKHUCHBOKGRWHE-AVGNSLFASA-N 1 0 312.366 1.658 20 5 DDBDRO CO[C@@H]1C[C@@H]([NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])C1(C)C ZINC000451501300 231112183 /nfs/dbraw/zinc/11/21/83/231112183.db2.gz OUPNUIOZHNVEDD-CHWSQXEVSA-N 1 0 307.350 1.936 20 5 DDBDRO CO[C@@H]1CCC[C@H]1[NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000451628922 231144027 /nfs/dbraw/zinc/14/40/27/231144027.db2.gz GRZICLIWONAEKX-TZMCWYRMSA-N 1 0 307.350 1.999 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H]1COCC1(C)C ZINC000451808861 231200626 /nfs/dbraw/zinc/20/06/26/231200626.db2.gz KYTZVGLGVRZUJB-LBPRGKRZSA-N 1 0 307.350 1.856 20 5 DDBDRO CC1(C)CN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC[N@@H+]1CCO ZINC000614895151 362066970 /nfs/dbraw/zinc/06/69/70/362066970.db2.gz PFAACIWFMOJYEP-UHFFFAOYSA-N 1 0 321.377 1.052 20 5 DDBDRO C[N@@H+]1CC[C@@H](CNC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000294423930 529792776 /nfs/dbraw/zinc/79/27/76/529792776.db2.gz GATYDGOCHQUQTF-LBPRGKRZSA-N 1 0 319.361 1.626 20 5 DDBDRO C[NH+](C)C1(CNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CCCC1 ZINC000330447025 231853805 /nfs/dbraw/zinc/85/38/05/231853805.db2.gz ROFXSZXHTSULPT-UHFFFAOYSA-N 1 0 323.397 1.517 20 5 DDBDRO CC[C@@H](C)[N@H+](CCO)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000286722005 219129315 /nfs/dbraw/zinc/12/93/15/219129315.db2.gz BDIBOCNDWIXKTF-GFCCVEGCSA-N 1 0 309.366 1.935 20 5 DDBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3F)[C@@H]2C1 ZINC000272635808 210038737 /nfs/dbraw/zinc/03/87/37/210038737.db2.gz NRQJBUXITCRVNH-IINYFYTJSA-N 1 0 307.325 1.900 20 5 DDBDRO CC[C@H](C)[C@H]([NH3+])C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000320278148 290819207 /nfs/dbraw/zinc/81/92/07/290819207.db2.gz VSEUGRUFITZYBJ-FZMZJTMJSA-N 1 0 321.381 1.012 20 5 DDBDRO CNC(=O)OC[C@@H]1CCCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000286953363 219241734 /nfs/dbraw/zinc/24/17/34/219241734.db2.gz MRQHCLLDCDXYES-NSHDSACASA-N 1 0 311.342 1.002 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC000601227209 358455467 /nfs/dbraw/zinc/45/54/67/358455467.db2.gz SEUXUPIEEBWFSN-UHFFFAOYSA-N 1 0 305.342 1.535 20 5 DDBDRO Cc1cc(S(=O)(=O)N(C)CC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000175699918 186189253 /nfs/dbraw/zinc/18/92/53/186189253.db2.gz NLNLZADVXXMZMF-UHFFFAOYSA-N 1 0 301.368 1.085 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)NCc2ccc([C@H](C)[NH3+])cc2)n1 ZINC000564835024 304017615 /nfs/dbraw/zinc/01/76/15/304017615.db2.gz CTPKGRIBTQNQMS-JTQLQIEISA-N 1 0 317.349 1.761 20 5 DDBDRO C[NH+](C)CCCNC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000042923397 352355179 /nfs/dbraw/zinc/35/51/79/352355179.db2.gz BVZSXVNVPOSLBQ-UHFFFAOYSA-N 1 0 309.370 1.258 20 5 DDBDRO C[NH+](C)Cc1ccccc1CNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000045054189 352400721 /nfs/dbraw/zinc/40/07/21/352400721.db2.gz XFXYDSMVOMRWEV-UHFFFAOYSA-N 1 0 317.349 1.169 20 5 DDBDRO C[C@H]1CCCC[N@@H+]1CCNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000046858788 352465122 /nfs/dbraw/zinc/46/51/22/352465122.db2.gz YZUAWMVPFIWOMA-ZDUSSCGKSA-N 1 0 321.377 1.964 20 5 DDBDRO CC[NH+](CC)CC1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000049077828 352550869 /nfs/dbraw/zinc/55/08/69/352550869.db2.gz AIJYMGJDGZYEHJ-UHFFFAOYSA-N 1 0 323.397 1.372 20 5 DDBDRO CC(C)[N@H+](C)CC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000052875436 352629830 /nfs/dbraw/zinc/62/98/30/352629830.db2.gz NDPPWKFJSRTWAH-UHFFFAOYSA-N 1 0 320.393 1.584 20 5 DDBDRO C[C@H](CNC(=O)COc1cccc([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC000055540469 352737368 /nfs/dbraw/zinc/73/73/68/352737368.db2.gz HKGZHBKIYZERRD-CYBMUJFWSA-N 1 0 321.377 1.822 20 5 DDBDRO C[NH+](C)[C@@H]1CCN(C(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000491476545 234179439 /nfs/dbraw/zinc/17/94/39/234179439.db2.gz AQHJRZZYZSIZDN-DIECRNLCSA-N 1 0 307.325 1.910 20 5 DDBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N1CC[NH+](CC2CC2)CC1 ZINC000067724252 353064812 /nfs/dbraw/zinc/06/48/12/353064812.db2.gz HOYWMNJMSMDKMU-UHFFFAOYSA-N 1 0 318.377 1.832 20 5 DDBDRO C[C@H]1CCC[N@H+](CCNC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000067292732 353043008 /nfs/dbraw/zinc/04/30/08/353043008.db2.gz RVHYUOHTBHMKPO-LBPRGKRZSA-N 1 0 309.370 1.030 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000358580387 299202446 /nfs/dbraw/zinc/20/24/46/299202446.db2.gz WBYDDTBFKLBDCX-LLVKDONJSA-N 1 0 307.350 1.770 20 5 DDBDRO C[N@H+](CCc1ccc(F)cc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174749003 198379661 /nfs/dbraw/zinc/37/96/61/198379661.db2.gz JHDNCOZFFNPRIG-HNNXBMFYSA-N 1 0 322.340 1.466 20 5 DDBDRO COc1ccc(OCC[N@H+](C)CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000174810654 198388320 /nfs/dbraw/zinc/38/83/20/198388320.db2.gz XYPKGJFPVWWVOV-UHFFFAOYSA-N 1 0 320.349 1.811 20 5 DDBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2[nH]nc(C)c2[N+](=O)[O-])C1 ZINC000081363239 353666744 /nfs/dbraw/zinc/66/67/44/353666744.db2.gz RASBCSCPTOVDFO-NSHDSACASA-N 1 0 309.370 1.430 20 5 DDBDRO COC(=O)N1CCC([NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000089147494 353760494 /nfs/dbraw/zinc/76/04/94/353760494.db2.gz IJQSMSFSROCLTM-UHFFFAOYSA-N 1 0 307.350 1.958 20 5 DDBDRO CC[N@H+](C)CCNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000091461326 353827168 /nfs/dbraw/zinc/82/71/68/353827168.db2.gz RWWGLYIIMMGUSA-UHFFFAOYSA-N 1 0 306.366 1.851 20 5 DDBDRO Cc1c(Cl)cc(S(=O)(=O)NC[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000104221554 353931980 /nfs/dbraw/zinc/93/19/80/353931980.db2.gz HWHXMUNHDIQTLO-ZCFIWIBFSA-N 1 0 307.759 1.182 20 5 DDBDRO C[NH+]1CCC(CCNC(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000156317094 354218439 /nfs/dbraw/zinc/21/84/39/354218439.db2.gz XMFQKTMTFYRFDI-UHFFFAOYSA-N 1 0 321.377 1.822 20 5 DDBDRO CCc1n[nH]c(C(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)c1[N+](=O)[O-] ZINC000346204774 283024674 /nfs/dbraw/zinc/02/46/74/283024674.db2.gz MNZHPCXYMHGJAY-GHMZBOCLSA-N 1 0 323.397 1.873 20 5 DDBDRO CC(C)(C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1=CCCC1 ZINC000308767562 354473766 /nfs/dbraw/zinc/47/37/66/354473766.db2.gz QQWPLWSYTDNULB-AWEZNQCLSA-N 1 0 308.382 1.878 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCCOc2ccccc2)c1 ZINC000320340027 354526139 /nfs/dbraw/zinc/52/61/39/354526139.db2.gz BMRCUHIUWGSWRL-CQSZACIVSA-N 1 0 320.349 1.211 20 5 DDBDRO C[C@H]([NH2+][C@H]1CCN(S(C)(=O)=O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000400200779 354659955 /nfs/dbraw/zinc/65/99/55/354659955.db2.gz FJBFLTGDZJYTBW-JQWIXIFHSA-N 1 0 313.379 1.279 20 5 DDBDRO C[C@H]([NH2+][C@@H]1CCN(S(C)(=O)=O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000400200777 354660072 /nfs/dbraw/zinc/66/00/72/354660072.db2.gz FJBFLTGDZJYTBW-CMPLNLGQSA-N 1 0 313.379 1.279 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H](CO)c2ccccc2)c1 ZINC000183632810 199623995 /nfs/dbraw/zinc/62/39/95/199623995.db2.gz UQTYAYSQDHIMGN-HZPDHXFCSA-N 1 0 302.330 1.951 20 5 DDBDRO COc1cccc(N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)c1[N+](=O)[O-] ZINC000585781960 354841451 /nfs/dbraw/zinc/84/14/51/354841451.db2.gz GTKLYKWYLNOSMY-OLZOCXBDSA-N 1 0 307.350 1.513 20 5 DDBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000588158183 354906543 /nfs/dbraw/zinc/90/65/43/354906543.db2.gz KPMBOFJAQDMCSL-CQSZACIVSA-N 1 0 320.393 1.873 20 5 DDBDRO CC[C@H](C[NH+]1CCCC1)Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000589573642 355002380 /nfs/dbraw/zinc/00/23/80/355002380.db2.gz ZEOGBJMDDMEFMR-SNVBAGLBSA-N 1 0 307.354 1.375 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[C@@H](C(=O)OC)C2)c1 ZINC000589496337 354995709 /nfs/dbraw/zinc/99/57/09/354995709.db2.gz QCLUDLDQQVFFLE-LLVKDONJSA-N 1 0 322.317 1.376 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@@H](CC(N)=O)C2)c1 ZINC000589517081 354998980 /nfs/dbraw/zinc/99/89/80/354998980.db2.gz TZQFXYPMBVDGCI-JTQLQIEISA-N 1 0 321.333 1.079 20 5 DDBDRO COc1ccc(C(=O)N2CC[C@H]([NH+](C)C)[C@H]2C)cc1[N+](=O)[O-] ZINC000590402716 355085717 /nfs/dbraw/zinc/08/57/17/355085717.db2.gz GRTUFXIXYJUADT-PWSUYJOCSA-N 1 0 307.350 1.768 20 5 DDBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000590403348 355085804 /nfs/dbraw/zinc/08/58/04/355085804.db2.gz PJVOOLONDZWDIP-VXGBXAGGSA-N 1 0 307.350 1.525 20 5 DDBDRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000590752046 355165037 /nfs/dbraw/zinc/16/50/37/355165037.db2.gz GHZRIBHBYVKNHD-MNOVXSKESA-N 1 0 321.333 1.465 20 5 DDBDRO O=C1NC2(CO1)CC[NH+](CCc1ccc([N+](=O)[O-])cc1)CC2 ZINC000495293113 235159966 /nfs/dbraw/zinc/15/99/66/235159966.db2.gz YUDAGQICDGWRAR-UHFFFAOYSA-N 1 0 305.334 1.712 20 5 DDBDRO C[C@H]1CN(C(=O)CCOc2ccccc2[N+](=O)[O-])C[C@H](C)[NH+]1C ZINC000358713797 299228428 /nfs/dbraw/zinc/22/84/28/299228428.db2.gz SMRZAQOEGHFFAJ-STQMWFEESA-N 1 0 321.377 1.915 20 5 DDBDRO O=C1NCCC[C@@H]1C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000591245264 355271560 /nfs/dbraw/zinc/27/15/60/355271560.db2.gz UVLRVKDQYDKANT-UPJWGTAASA-N 1 0 321.381 1.391 20 5 DDBDRO [NH3+][C@H]1CCC[C@@H](CNC(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000591347926 355294550 /nfs/dbraw/zinc/29/45/50/355294550.db2.gz DZOBNLJTKUEGLP-YPMHNXCESA-N 1 0 306.366 1.912 20 5 DDBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)NCC1CC[NH2+]CC1 ZINC000591351685 355295936 /nfs/dbraw/zinc/29/59/36/355295936.db2.gz VXOQMZDTWUPTFD-UHFFFAOYSA-N 1 0 322.365 1.272 20 5 DDBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCCC[NH2+]1 ZINC000591351732 355296530 /nfs/dbraw/zinc/29/65/30/355296530.db2.gz IMRAODPXWXHIAT-GFCCVEGCSA-N 1 0 322.365 1.415 20 5 DDBDRO COc1cc(CN[C@H]2CCC[NH2+]CC2)c([N+](=O)[O-])cc1OC ZINC000591278622 355277058 /nfs/dbraw/zinc/27/70/58/355277058.db2.gz ZEVPLCUQOZOTNW-LBPRGKRZSA-N 1 0 309.366 1.844 20 5 DDBDRO O=C(CC[NH2+]C[C@@H]1CCCNC1=O)Nc1ccccc1[N+](=O)[O-] ZINC000591735147 355374766 /nfs/dbraw/zinc/37/47/66/355374766.db2.gz VDNXHZUQGKCZAG-NSHDSACASA-N 1 0 320.349 1.039 20 5 DDBDRO CCN1CC[C@@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1=O ZINC000591765735 355380302 /nfs/dbraw/zinc/38/03/02/355380302.db2.gz DJKGOBZQGKBLMX-GFCCVEGCSA-N 1 0 320.349 1.134 20 5 DDBDRO CO[C@@H](C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000591767774 355381335 /nfs/dbraw/zinc/38/13/35/355381335.db2.gz JFRAXPSSBMKWIH-DOMZBBRYSA-N 1 0 310.350 1.349 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N(C2CC2)C2CC[NH2+]CC2)n1 ZINC000591681039 355360845 /nfs/dbraw/zinc/36/08/45/355360845.db2.gz NDSOTSWMSKWASF-UHFFFAOYSA-N 1 0 307.354 1.168 20 5 DDBDRO CNc1ccc(C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)cc1[N+](=O)[O-] ZINC000592247082 355547156 /nfs/dbraw/zinc/54/71/56/355547156.db2.gz OURCBNYECPIEKR-MFKMUULPSA-N 1 0 304.350 1.461 20 5 DDBDRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 ZINC000592331204 355560613 /nfs/dbraw/zinc/56/06/13/355560613.db2.gz OIONORLUAFVZCC-VHSXEESVSA-N 1 0 321.333 1.366 20 5 DDBDRO CC1([NH3+])CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000592485742 355595952 /nfs/dbraw/zinc/59/59/52/355595952.db2.gz XDYQBZWFOFMJSC-UHFFFAOYSA-N 1 0 318.377 1.297 20 5 DDBDRO Nc1c(C(=O)N[C@@H]2CC[NH2+]C3(CCC3)C2)cc(F)cc1[N+](=O)[O-] ZINC000592568987 355632697 /nfs/dbraw/zinc/63/26/97/355632697.db2.gz UFUDDMWHPQJWDI-SNVBAGLBSA-N 1 0 322.340 1.721 20 5 DDBDRO CC[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000593071884 355787410 /nfs/dbraw/zinc/78/74/10/355787410.db2.gz VMYXVCQUPFIUKS-UONOGXRCSA-N 1 0 324.377 1.835 20 5 DDBDRO CC[N@@H+]1CCN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])C[C@H]1C ZINC000593555492 355924052 /nfs/dbraw/zinc/92/40/52/355924052.db2.gz BKCJPFOQCNGHNB-LLVKDONJSA-N 1 0 309.341 1.829 20 5 DDBDRO C[NH2+]Cc1ccccc1CNC(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000593915049 356057708 /nfs/dbraw/zinc/05/77/08/356057708.db2.gz VBSDRIVHOMXFLE-UHFFFAOYSA-N 1 0 317.349 1.286 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000593916899 356059041 /nfs/dbraw/zinc/05/90/41/356059041.db2.gz TYCBJMZIOSHWSY-WCQYABFASA-N 1 0 323.397 1.466 20 5 DDBDRO O=[N+]([O-])c1cccc(N2CC[NH+](C[C@@]3(O)CCCOC3)CC2)c1 ZINC000594716582 356294504 /nfs/dbraw/zinc/29/45/04/356294504.db2.gz BGSZSBKBOUOKCS-INIZCTEOSA-N 1 0 321.377 1.258 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@]1(OCCO)CCOC1 ZINC000594973555 356366642 /nfs/dbraw/zinc/36/66/42/356366642.db2.gz GGCQJBRHBLOXLI-OAHLLOKOSA-N 1 0 310.350 1.161 20 5 DDBDRO O=C(Cn1ccc([N+](=O)[O-])n1)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000595225853 356411687 /nfs/dbraw/zinc/41/16/87/356411687.db2.gz PAZUJKZDGKNOJK-CHWSQXEVSA-N 1 0 321.381 1.172 20 5 DDBDRO O=C1C[C@H](C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CN1 ZINC000595330564 356452074 /nfs/dbraw/zinc/45/20/74/356452074.db2.gz MAEDHUMAKTXQAO-LBPRGKRZSA-N 1 0 319.361 1.574 20 5 DDBDRO CCNC(=O)N1CC[C@@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000565215527 304054330 /nfs/dbraw/zinc/05/43/30/304054330.db2.gz BDVNASIAICEPDM-RISCZKNCSA-N 1 0 318.377 1.976 20 5 DDBDRO CO[C@@H](C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)[C@H]1CCOC1 ZINC000595478639 356509500 /nfs/dbraw/zinc/50/95/00/356509500.db2.gz COYKCNZOALZEOX-JSGCOSHPSA-N 1 0 324.381 1.480 20 5 DDBDRO O=C1C[C@H](C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CN1 ZINC000595521965 356531886 /nfs/dbraw/zinc/53/18/86/356531886.db2.gz HHNSATOMPDZWQN-GXTWGEPZSA-N 1 0 303.362 1.910 20 5 DDBDRO CC(C)C[C@H](C[NH3+])NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000236843953 202035685 /nfs/dbraw/zinc/03/56/85/202035685.db2.gz FDVWPYHSDMIOAS-SNVBAGLBSA-N 1 0 313.329 1.602 20 5 DDBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](Cn3ccnn3)C2)c(F)c1 ZINC000595608463 356575154 /nfs/dbraw/zinc/57/51/54/356575154.db2.gz QOCXKCFXVNPXGE-NSHDSACASA-N 1 0 305.313 1.848 20 5 DDBDRO CC[C@H](C)[C@H]([NH3+])C(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000236918772 202070341 /nfs/dbraw/zinc/07/03/41/202070341.db2.gz XGSGRKYYWWGZMT-UFBFGSQYSA-N 1 0 309.322 1.693 20 5 DDBDRO O=C1CC[C@@H]2C[N@H+](CCc3ccc([N+](=O)[O-])cc3)CC[C@H]2N1 ZINC000595744989 356632407 /nfs/dbraw/zinc/63/24/07/356632407.db2.gz XPLWGVKCKBYEPX-UKRRQHHQSA-N 1 0 303.362 1.738 20 5 DDBDRO CC[NH2+]CC1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000237014731 202122370 /nfs/dbraw/zinc/12/23/70/202122370.db2.gz NGKINIYNKOFNLM-UHFFFAOYSA-N 1 0 305.378 1.985 20 5 DDBDRO CC[NH2+]CCNC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000236980720 202106911 /nfs/dbraw/zinc/10/69/11/202106911.db2.gz VYACBYINIMXJSP-UHFFFAOYSA-N 1 0 317.349 1.335 20 5 DDBDRO CC[NH2+]CCNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000237005858 202118533 /nfs/dbraw/zinc/11/85/33/202118533.db2.gz SWPXIUTVSBZBIU-UHFFFAOYSA-N 1 0 303.322 1.120 20 5 DDBDRO C[NH2+]CCNC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000237059862 202140142 /nfs/dbraw/zinc/14/01/42/202140142.db2.gz VPFXCFJWTACQNI-MRVPVSSYSA-N 1 0 301.730 1.351 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000595836997 356672101 /nfs/dbraw/zinc/67/21/01/356672101.db2.gz ZQIPEGFZQVMEAB-MGPQQGTHSA-N 1 0 322.361 1.303 20 5 DDBDRO COc1ccc(OCC[N@@H+]2CC[C@@H]3COC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000595826499 356666092 /nfs/dbraw/zinc/66/60/92/356666092.db2.gz ABFDGELDKBEDBR-OLZOCXBDSA-N 1 0 322.361 1.951 20 5 DDBDRO O=[N+]([O-])c1ccc(CN2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c(F)c1 ZINC000595864800 356683113 /nfs/dbraw/zinc/68/31/13/356683113.db2.gz CTHSHAMWLGUZEJ-OAHLLOKOSA-N 1 0 323.368 1.765 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)CC(C)(C)[NH3+] ZINC000595903361 356698731 /nfs/dbraw/zinc/69/87/31/356698731.db2.gz VNDVWOUEZBGWFL-UHFFFAOYSA-N 1 0 324.381 1.601 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N(C)CC(C)(C)[NH3+] ZINC000595904073 356699305 /nfs/dbraw/zinc/69/93/05/356699305.db2.gz YIPTXVHJVBYREO-JTQLQIEISA-N 1 0 324.381 1.600 20 5 DDBDRO CC(C)[NH2+]CC(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000595924165 356706513 /nfs/dbraw/zinc/70/65/13/356706513.db2.gz HGMNJLKEEALEFS-LLVKDONJSA-N 1 0 307.354 1.001 20 5 DDBDRO Cc1c(C[NH3+])c(NC(=O)COc2ccc([N+](=O)[O-])cc2)nn1C ZINC000595962331 356725318 /nfs/dbraw/zinc/72/53/18/356725318.db2.gz OZZJOZWYQFKLJU-UHFFFAOYSA-N 1 0 319.321 1.113 20 5 DDBDRO O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])[nH]1 ZINC000595966043 356727498 /nfs/dbraw/zinc/72/74/98/356727498.db2.gz BWHFVFBCUPOQLR-TZMCWYRMSA-N 1 0 314.345 1.798 20 5 DDBDRO CO[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000276918295 213175263 /nfs/dbraw/zinc/17/52/63/213175263.db2.gz GUAZGTIKSYVVMT-GZBFAFLISA-N 1 0 324.377 1.882 20 5 DDBDRO COCC[N@@H+]1CCC[C@@H](Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596117155 356779933 /nfs/dbraw/zinc/77/99/33/356779933.db2.gz XDESJUKSJYHIHW-GFCCVEGCSA-N 1 0 322.365 1.216 20 5 DDBDRO C[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1nccn1C ZINC000596065648 356759313 /nfs/dbraw/zinc/75/93/13/356759313.db2.gz IMKDMBYZRBWYEY-WCQYABFASA-N 1 0 320.349 1.419 20 5 DDBDRO CC1(C)OCC[C@@H]1C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000596067285 356760213 /nfs/dbraw/zinc/76/02/13/356760213.db2.gz WNCPXYWQYZZYSZ-OLZOCXBDSA-N 1 0 324.377 1.739 20 5 DDBDRO CCc1nn(C)c(N2CCC3(C2)CC[NH+](C)CC3)c1[N+](=O)[O-] ZINC000596239169 356829136 /nfs/dbraw/zinc/82/91/36/356829136.db2.gz YGFJHYLEVRCGGH-UHFFFAOYSA-N 1 0 307.398 1.813 20 5 DDBDRO C[NH2+]C[C@@H]1CCN(C(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000237212976 202192227 /nfs/dbraw/zinc/19/22/27/202192227.db2.gz XOOHOGHBGWHIAT-JTQLQIEISA-N 1 0 323.349 1.294 20 5 DDBDRO COc1cccc([N+](=O)[O-])c1N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000596537901 356910221 /nfs/dbraw/zinc/91/02/21/356910221.db2.gz JLHXGRCLCIBOHX-CYBMUJFWSA-N 1 0 321.377 1.639 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)NCC[C@H]2CCC[NH2+]C2)c1 ZINC000237242063 202201407 /nfs/dbraw/zinc/20/14/07/202201407.db2.gz HCNHFYCYRQWBNT-LLVKDONJSA-N 1 0 307.350 1.723 20 5 DDBDRO CCc1n[nH]c(C(=O)NCC23CCC[NH+]2CCC3)c1[N+](=O)[O-] ZINC000597587046 357239900 /nfs/dbraw/zinc/23/99/00/357239900.db2.gz NLJCTUTXUOBYGQ-UHFFFAOYSA-N 1 0 307.354 1.239 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CCC[C@H]1[NH+](C)C ZINC000597533662 357213093 /nfs/dbraw/zinc/21/30/93/357213093.db2.gz RIQWPIKLRUBMLM-CHWSQXEVSA-N 1 0 307.350 1.816 20 5 DDBDRO C[NH+](C)CC1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000597707327 357294910 /nfs/dbraw/zinc/29/49/10/357294910.db2.gz DKAIRWRAFDYTIP-UHFFFAOYSA-N 1 0 311.769 1.811 20 5 DDBDRO CCN(C(=O)Cn1cc([N+](=O)[O-])nc1C)[C@H]1CC[N@H+](CC)C1 ZINC000598043209 357440868 /nfs/dbraw/zinc/44/08/68/357440868.db2.gz RYFBXXWLUQISPZ-LBPRGKRZSA-N 1 0 309.370 1.042 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCCN(C)CCC[NH+](C)C)c1 ZINC000597989340 357407346 /nfs/dbraw/zinc/40/73/46/357407346.db2.gz DWBJHACRHNTOLX-UHFFFAOYSA-N 1 0 322.409 1.517 20 5 DDBDRO CCC[N@@H+]1CC[C@@H](NC(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000598342051 357543909 /nfs/dbraw/zinc/54/39/09/357543909.db2.gz CNGAUUSPDFLLBU-CYBMUJFWSA-N 1 0 320.393 1.997 20 5 DDBDRO CCC[N@@H+]1CC[C@@H](NC(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000598341579 357543989 /nfs/dbraw/zinc/54/39/89/357543989.db2.gz CVABFNGSDJPNQT-GFCCVEGCSA-N 1 0 306.366 1.607 20 5 DDBDRO C[C@@H]([NH3+])CCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000178634876 198901601 /nfs/dbraw/zinc/90/16/01/198901601.db2.gz RJTQXHHCCMVCCU-LLVKDONJSA-N 1 0 306.366 1.662 20 5 DDBDRO CC[NH+](CC)C[C@H](C)Nc1nccc(C(=O)OC)c1[N+](=O)[O-] ZINC000598589587 357643476 /nfs/dbraw/zinc/64/34/76/357643476.db2.gz UBKPYYHCUYFXBF-JTQLQIEISA-N 1 0 310.354 1.919 20 5 DDBDRO Cn1c(C(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000598562523 357633543 /nfs/dbraw/zinc/63/35/43/357633543.db2.gz VRYZBSYCVJXJEH-ZDUSSCGKSA-N 1 0 320.393 1.785 20 5 DDBDRO Cc1nccnc1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000598677995 357684575 /nfs/dbraw/zinc/68/45/75/357684575.db2.gz ZZHRTVIUGIWQGK-UHFFFAOYSA-N 1 0 302.338 1.727 20 5 DDBDRO C[NH+](C)C1CC(NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000598716268 357701632 /nfs/dbraw/zinc/70/16/32/357701632.db2.gz GLDLJZWHGYJFOZ-UHFFFAOYSA-N 1 0 307.306 1.146 20 5 DDBDRO Cc1ccc(S(=O)(=O)N[C@@H](C)CC[NH3+])c(C)c1[N+](=O)[O-] ZINC000598715915 357701637 /nfs/dbraw/zinc/70/16/37/357701637.db2.gz UXRWBRUQGYXUDC-VIFPVBQESA-N 1 0 301.368 1.227 20 5 DDBDRO Cc1ccc(S(=O)(=O)NCC[C@H](C)[NH3+])c(C)c1[N+](=O)[O-] ZINC000598716941 357702538 /nfs/dbraw/zinc/70/25/38/357702538.db2.gz XHDATUKGVJHFEP-VIFPVBQESA-N 1 0 301.368 1.227 20 5 DDBDRO CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598914550 357757613 /nfs/dbraw/zinc/75/76/13/357757613.db2.gz HERJGSGEWQUWRV-CYBMUJFWSA-N 1 0 320.349 1.134 20 5 DDBDRO Cc1cc(NC[C@H](O)[C@H]2CCCO2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000599131719 357824863 /nfs/dbraw/zinc/82/48/63/357824863.db2.gz BDEVOHNTQIVHNA-JKSUJKDBSA-N 1 0 317.345 1.825 20 5 DDBDRO CC[C@@H]1[NH2+]CC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000599107198 357817472 /nfs/dbraw/zinc/81/74/72/357817472.db2.gz KFDKEAAGXJBHPP-NWDGAFQWSA-N 1 0 313.379 1.322 20 5 DDBDRO Cc1ccc(C[NH2+]CCCN2CCC[C@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000598990644 357785425 /nfs/dbraw/zinc/78/54/25/357785425.db2.gz PBAUJXXCDYHDDE-AWEZNQCLSA-N 1 0 320.393 1.333 20 5 DDBDRO C[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C[C@H](C)C1(F)F ZINC000599513106 357960764 /nfs/dbraw/zinc/96/07/64/357960764.db2.gz RAFFLGZMKUZIBH-PHIMTYICSA-N 1 0 315.320 1.980 20 5 DDBDRO O=[N+]([O-])c1ccc(CC[NH+]2CCC(N3CCOCC3)CC2)cc1 ZINC000599474140 357949248 /nfs/dbraw/zinc/94/92/48/357949248.db2.gz IQZWOQYERJSYMF-UHFFFAOYSA-N 1 0 319.405 1.934 20 5 DDBDRO C[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C[C@H]1C[C@@H](O)C1 ZINC000599671893 358018487 /nfs/dbraw/zinc/01/84/87/358018487.db2.gz KIZSHVWGALSCCO-KWCYVHTRSA-N 1 0 310.350 1.037 20 5 DDBDRO C[C@H]1CC[C@@H](NC(=O)NCCc2ccc([N+](=O)[O-])cc2)C[NH2+]1 ZINC000599906722 358077979 /nfs/dbraw/zinc/07/79/79/358077979.db2.gz HQXFRPOZGMHGHL-WCQYABFASA-N 1 0 306.366 1.577 20 5 DDBDRO COc1cc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)cc([N+](=O)[O-])c1C ZINC000599991550 358097873 /nfs/dbraw/zinc/09/78/73/358097873.db2.gz KTOZPUNMTNGPQX-JYAVWHMHSA-N 1 0 319.361 1.544 20 5 DDBDRO Cc1ccc([C@@H](C)[NH2+]CCNC(=O)c2ccn[nH]2)cc1[N+](=O)[O-] ZINC000180219482 199132030 /nfs/dbraw/zinc/13/20/30/199132030.db2.gz WZMFYKUJVLDJCQ-LLVKDONJSA-N 1 0 317.349 1.707 20 5 DDBDRO C[C@@H]1CC[C@H](NCc2cc3c(cc2[N+](=O)[O-])OCCO3)C[NH2+]1 ZINC000600679970 358281150 /nfs/dbraw/zinc/28/11/50/358281150.db2.gz QCJQLFBYIGKJHY-PWSUYJOCSA-N 1 0 307.350 1.596 20 5 DDBDRO COc1ccc(C(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000237350379 202242311 /nfs/dbraw/zinc/24/23/11/202242311.db2.gz DRGHLVLRXMMYDH-CMPLNLGQSA-N 1 0 307.350 1.945 20 5 DDBDRO C[C@@H]1[NH2+]CC[C@H]1N[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000600713161 358291460 /nfs/dbraw/zinc/29/14/60/358291460.db2.gz GJSYJEVNDBINDL-GLQYFDAESA-N 1 0 315.377 1.758 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CC(C2CCC2)C2CCC2)c1 ZINC000600742219 358303974 /nfs/dbraw/zinc/30/39/74/358303974.db2.gz BOKKOTCKLYJIEB-HNNXBMFYSA-N 1 0 322.409 1.958 20 5 DDBDRO O=C(CC[NH2+]C[C@H](O)[C@@H]1CCCO1)Nc1ccccc1[N+](=O)[O-] ZINC000600760320 358310262 /nfs/dbraw/zinc/31/02/62/358310262.db2.gz UZDHKYIJIOMVLI-KBPBESRZSA-N 1 0 323.349 1.053 20 5 DDBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H]1CC[NH2+][C@H]1C ZINC000600684195 358282039 /nfs/dbraw/zinc/28/20/39/358282039.db2.gz ZFPMOIFQDCBUGK-COPLHBTASA-N 1 0 306.366 1.652 20 5 DDBDRO CN(CC[N@H+](C)C1CC1)c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601144198 358419548 /nfs/dbraw/zinc/41/95/48/358419548.db2.gz QGZVANUDKBIZLS-UHFFFAOYSA-N 1 0 321.303 1.878 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(c3ncnc4sc([N+](=O)[O-])cc43)C[C@@H]2C1 ZINC000601184126 358437776 /nfs/dbraw/zinc/43/77/76/358437776.db2.gz HSQYJGRNRUWTKW-ZJUUUORDSA-N 1 0 319.390 1.987 20 5 DDBDRO O=C(COc1ccccc1[N+](=O)[O-])N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000601556610 358599505 /nfs/dbraw/zinc/59/95/05/358599505.db2.gz MBBVXSKSAZHWMF-QWHCGFSZSA-N 1 0 319.361 1.574 20 5 DDBDRO CC[N@H+](CC(=O)N[C@@](C)(CO)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000601782221 358693018 /nfs/dbraw/zinc/69/30/18/358693018.db2.gz XLHWYSVBWFSDBF-INIZCTEOSA-N 1 0 321.377 1.403 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H]1CCC[C@@H]1CCO ZINC000348148536 283390915 /nfs/dbraw/zinc/39/09/15/283390915.db2.gz IRLIDDZPLAYBJJ-CHWSQXEVSA-N 1 0 321.377 1.982 20 5 DDBDRO O=[N+]([O-])c1nccn1C[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000601961867 358754485 /nfs/dbraw/zinc/75/44/85/358754485.db2.gz AYGQTNSNRPSYHX-CQSZACIVSA-N 1 0 302.334 1.211 20 5 DDBDRO C[N@@H+]1CC[C@H](CC(=O)NCCNc2ccccc2[N+](=O)[O-])C1 ZINC000602045168 358789364 /nfs/dbraw/zinc/78/93/64/358789364.db2.gz KYOVQFFXBJXILI-GFCCVEGCSA-N 1 0 306.366 1.465 20 5 DDBDRO C[NH+](C)[C@H]1C[C@H](NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1(C)C ZINC000602169714 358860701 /nfs/dbraw/zinc/86/07/01/358860701.db2.gz GYQVHBALIIDALL-RYUDHWBXSA-N 1 0 323.397 1.371 20 5 DDBDRO O=C(COc1cccc([N+](=O)[O-])c1)N[C@H]1C[C@@H]([NH+]2CCCC2)C1 ZINC000602169047 358861126 /nfs/dbraw/zinc/86/11/26/358861126.db2.gz DCSFQWZASNFTQR-XBXGTLAGSA-N 1 0 319.361 1.717 20 5 DDBDRO C[NH+](C)[C@H]1C[C@@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000602174788 358864225 /nfs/dbraw/zinc/86/42/25/358864225.db2.gz UQRDJXAZQYOKNI-KGLIPLIRSA-N 1 0 305.378 1.982 20 5 DDBDRO CN(C(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1)[C@@H]1CC[NH2+]C1 ZINC000602428141 358969878 /nfs/dbraw/zinc/96/98/78/358969878.db2.gz GJVCTBFCGDPDOJ-CQSZACIVSA-N 1 0 303.362 1.837 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000602552484 359041551 /nfs/dbraw/zinc/04/15/51/359041551.db2.gz SQVIGRNKGNCZIV-GFCCVEGCSA-N 1 0 307.350 1.238 20 5 DDBDRO [NH3+]C[C@@H]1CN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CCO1 ZINC000602485550 359009975 /nfs/dbraw/zinc/00/99/75/359009975.db2.gz NEJDQVCNWPOFIF-CQSZACIVSA-N 1 0 319.361 1.203 20 5 DDBDRO O=C(c1c(F)cccc1[N+](=O)[O-])N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000602490701 359013820 /nfs/dbraw/zinc/01/38/20/359013820.db2.gz FNJNKQKMWYKJLA-HNNXBMFYSA-N 1 0 307.325 1.950 20 5 DDBDRO CO[C@@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C1CC1 ZINC000602675586 359119489 /nfs/dbraw/zinc/11/94/89/359119489.db2.gz HNUVXNGXFMHKPK-HNNXBMFYSA-N 1 0 320.393 1.973 20 5 DDBDRO CCC[NH+]1CCC(N(C)CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000602777681 359183506 /nfs/dbraw/zinc/18/35/06/359183506.db2.gz KBTWSZGYZSZRBS-UHFFFAOYSA-N 1 0 309.414 1.906 20 5 DDBDRO O=c1ccc(CN2CCN(c3ncccc3[N+](=O)[O-])CC2)c[nH]1 ZINC000602688227 359126296 /nfs/dbraw/zinc/12/62/96/359126296.db2.gz PLXCVXQEGPHDAU-UHFFFAOYSA-N 1 0 315.333 1.413 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(NC(=O)C(C)C)CC1 ZINC000602763163 359172238 /nfs/dbraw/zinc/17/22/38/359172238.db2.gz NRWAXZZYUQHCFK-UHFFFAOYSA-N 1 0 323.397 1.336 20 5 DDBDRO CCCC(=O)NC1CC[NH+](CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000602762458 359172956 /nfs/dbraw/zinc/17/29/56/359172956.db2.gz IRJJSWUBRFXQPI-UHFFFAOYSA-N 1 0 323.397 1.480 20 5 DDBDRO CO[C@H]1CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CCO1 ZINC000602897034 359279074 /nfs/dbraw/zinc/27/90/74/359279074.db2.gz JDEAIFQNPVEVDP-OAHLLOKOSA-N 1 0 323.349 1.537 20 5 DDBDRO Cc1cncc([N+](=O)[O-])c1NC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000602958985 359323040 /nfs/dbraw/zinc/32/30/40/359323040.db2.gz RZEMTHGZUMNFPU-GFCCVEGCSA-N 1 0 319.365 1.422 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H](CO)C[NH+]1CCCC1 ZINC000603054252 359379349 /nfs/dbraw/zinc/37/93/49/359379349.db2.gz WMNZOYUSJTVJPQ-ZDUSSCGKSA-N 1 0 321.377 1.398 20 5 DDBDRO O=[N+]([O-])c1ccccc1OCCn1cc([C@H]2CCC[NH2+]C2)nn1 ZINC000603202739 359478207 /nfs/dbraw/zinc/47/82/07/359478207.db2.gz YEPJPDALUQMPAH-LBPRGKRZSA-N 1 0 317.349 1.732 20 5 DDBDRO O=[N+]([O-])c1cc(F)ccc1Cn1cc(C[C@H]2CCC[NH2+]C2)nn1 ZINC000603222705 359493684 /nfs/dbraw/zinc/49/36/84/359493684.db2.gz CAJXDPUWAMPPNS-LLVKDONJSA-N 1 0 319.340 1.916 20 5 DDBDRO COc1ccc(CNC(=O)N[C@@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000604290928 359733106 /nfs/dbraw/zinc/73/31/06/359733106.db2.gz QWKPTCCSHRUJMQ-GFCCVEGCSA-N 1 0 322.365 1.497 20 5 DDBDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000604533252 359762041 /nfs/dbraw/zinc/76/20/41/359762041.db2.gz DYNCJTDNKHXWPX-ZDUSSCGKSA-N 1 0 321.377 1.820 20 5 DDBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH2+][C@H](C)C1 ZINC000188422972 200243761 /nfs/dbraw/zinc/24/37/61/200243761.db2.gz CHGKRPAKTUCZKN-GHMZBOCLSA-N 1 0 309.391 1.896 20 5 DDBDRO C[C@@H](O)C[NH+]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000188732764 200296257 /nfs/dbraw/zinc/29/62/57/200296257.db2.gz DOBMADSFWGIUEH-YVARQFDVSA-N 1 0 305.378 1.606 20 5 DDBDRO O=C(CCn1cc([N+](=O)[O-])cn1)NCc1ccc2c(c1)C[NH2+]C2 ZINC000188715406 200292643 /nfs/dbraw/zinc/29/26/43/200292643.db2.gz OBVQHUGDYXPVOZ-UHFFFAOYSA-N 1 0 315.333 1.101 20 5 DDBDRO CO[C@H]1C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC[C@@H]1C ZINC000189326647 200382293 /nfs/dbraw/zinc/38/22/93/200382293.db2.gz HTRFWMIFWMOBLC-XEZPLFJOSA-N 1 0 324.377 1.691 20 5 DDBDRO CN(CC[NH+]1CCCC1)C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000609132077 360262715 /nfs/dbraw/zinc/26/27/15/360262715.db2.gz IYPWPJMYUFFMPI-UHFFFAOYSA-N 1 0 321.333 1.491 20 5 DDBDRO Cc1c(CN2CC[NH+](C(C)(C)CO)CC2)cccc1[N+](=O)[O-] ZINC000609845747 360355196 /nfs/dbraw/zinc/35/51/96/360355196.db2.gz BRWVXSUYXRHKEB-UHFFFAOYSA-N 1 0 307.394 1.792 20 5 DDBDRO Cc1ccc(C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C2CC2)o1 ZINC000610367740 360422817 /nfs/dbraw/zinc/42/28/17/360422817.db2.gz OAWBGNSKJDUQKC-CQSZACIVSA-N 1 0 320.349 1.718 20 5 DDBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000610522155 360460161 /nfs/dbraw/zinc/46/01/61/360460161.db2.gz XVXKFIGALQLMFZ-LLVKDONJSA-N 1 0 306.366 1.781 20 5 DDBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)Nc2ccncc2[N+](=O)[O-])C[C@@H]1C ZINC000359027175 299311007 /nfs/dbraw/zinc/31/10/07/299311007.db2.gz NAHPDXIYIUGYBF-WDEREUQCSA-N 1 0 307.354 1.358 20 5 DDBDRO CNc1ccc(C(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000565832689 304095975 /nfs/dbraw/zinc/09/59/75/304095975.db2.gz PXHFONOCBXFECY-PWSUYJOCSA-N 1 0 306.366 1.754 20 5 DDBDRO Cn1nnnc1CC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000611327420 360699552 /nfs/dbraw/zinc/69/95/52/360699552.db2.gz BZSARQKHXXPKQJ-ZDUSSCGKSA-N 1 0 316.365 1.272 20 5 DDBDRO C[N@@H+]1CCC[C@@H](NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000611513695 360742970 /nfs/dbraw/zinc/74/29/70/360742970.db2.gz WGFKQGQMDFWOSL-SNVBAGLBSA-N 1 0 307.306 1.148 20 5 DDBDRO CC[C@@H]1C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000281287261 216211585 /nfs/dbraw/zinc/21/15/85/216211585.db2.gz GTLNBITZTVPLCQ-LSDHHAIUSA-N 1 0 324.377 1.835 20 5 DDBDRO CC[C@@H]1C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CCCO1 ZINC000281291883 216215863 /nfs/dbraw/zinc/21/58/63/216215863.db2.gz GXTOBPPXXVPZPQ-UONOGXRCSA-N 1 0 324.377 1.835 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H](CCO)C1 ZINC000612070176 360909179 /nfs/dbraw/zinc/90/91/79/360909179.db2.gz DAYJUXDTKYMMGY-ZIAGYGMSSA-N 1 0 324.377 1.429 20 5 DDBDRO Cc1ccc(S(=O)(=O)N[C@H]2C[NH2+]CC[C@H]2C)cc1[N+](=O)[O-] ZINC000193415338 201049065 /nfs/dbraw/zinc/04/90/65/201049065.db2.gz IBFCZTBOKJUCHB-SKDRFNHKSA-N 1 0 313.379 1.180 20 5 DDBDRO C[NH+](C)CCCNC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000618795125 363759690 /nfs/dbraw/zinc/75/96/90/363759690.db2.gz CTMQTWREWZVGKF-UHFFFAOYSA-N 1 0 324.385 1.090 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@H]2CCC[N@@H+](C)C2)c1 ZINC000619583490 364071886 /nfs/dbraw/zinc/07/18/86/364071886.db2.gz PFABUTWZUHWVCO-ZDUSSCGKSA-N 1 0 321.377 1.883 20 5 DDBDRO COc1cccc(C(=O)N2CCCC[C@H]2CC[NH3+])c1[N+](=O)[O-] ZINC000566102298 304117256 /nfs/dbraw/zinc/11/72/56/304117256.db2.gz FJYQIMXUMWYFAU-NSHDSACASA-N 1 0 307.350 1.947 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2C[C@@H]2c2cccc(F)c2)c1 ZINC000566109751 304119127 /nfs/dbraw/zinc/11/91/27/304119127.db2.gz UGFDVTAXDMHSFZ-RBSFLKMASA-N 1 0 320.324 1.437 20 5 DDBDRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000275109356 212125265 /nfs/dbraw/zinc/12/52/65/212125265.db2.gz FSUBJSPSFSLVOE-CABZTGNLSA-N 1 0 311.313 1.227 20 5 DDBDRO COCC1(CNC(=O)c2ccc([N+](=O)[O-])cc2C)CC[NH2+]CC1 ZINC000261887056 203144622 /nfs/dbraw/zinc/14/46/22/203144622.db2.gz NGIMNLFHHHQHKH-UHFFFAOYSA-N 1 0 321.377 1.649 20 5 DDBDRO [NH3+][C@@H]1CCC[C@H]1CC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000261995454 203170607 /nfs/dbraw/zinc/17/06/07/203170607.db2.gz SGSOSIMXVYTFHT-NWDGAFQWSA-N 1 0 306.366 1.640 20 5 DDBDRO CN1CCC[C@@H]1C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000579465041 422772348 /nfs/dbraw/zinc/77/23/48/422772348.db2.gz HMVJNDGIOJLSLW-KGLIPLIRSA-N 1 0 309.366 1.018 20 5 DDBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000264662365 204063331 /nfs/dbraw/zinc/06/33/31/204063331.db2.gz DSOKWQDOWXFTCN-GFCCVEGCSA-N 1 0 309.370 1.172 20 5 DDBDRO O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261809439 296172867 /nfs/dbraw/zinc/17/28/67/296172867.db2.gz ZPYSMRAABLTHCN-VHSXEESVSA-N 1 0 309.753 1.930 20 5 DDBDRO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CCn1cc([N+](=O)[O-])cn1 ZINC000282506565 217048340 /nfs/dbraw/zinc/04/83/40/217048340.db2.gz RLSNGCJVUBKSRO-UHFFFAOYSA-N 1 0 319.321 1.874 20 5 DDBDRO COc1cc(C(=O)NC[C@@H](C)[NH+](C)C)cc([N+](=O)[O-])c1OC ZINC000266118484 205112245 /nfs/dbraw/zinc/11/22/45/205112245.db2.gz XXBIEQIUUKKYIG-SECBINFHSA-N 1 0 311.338 1.292 20 5 DDBDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000266210212 205185659 /nfs/dbraw/zinc/18/56/59/205185659.db2.gz XSVFDSGCWVYEHG-GFCCVEGCSA-N 1 0 309.370 1.124 20 5 DDBDRO C[C@@]1(CO)CCC[C@@H]1[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000351523504 284361051 /nfs/dbraw/zinc/36/10/51/284361051.db2.gz LVRGDMVLICARAH-ZFWWWQNUSA-N 1 0 307.350 1.334 20 5 DDBDRO C[N@@H+](Cc1ccc(Cl)cc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266381962 205304419 /nfs/dbraw/zinc/30/44/19/205304419.db2.gz AXAXNQDQOGCESE-CQSZACIVSA-N 1 0 324.768 1.938 20 5 DDBDRO CN(CC[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000567042715 304194131 /nfs/dbraw/zinc/19/41/31/304194131.db2.gz SAZXPPNBPISBQY-CQSZACIVSA-N 1 0 309.366 1.018 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000044502573 183415619 /nfs/dbraw/zinc/41/56/19/183415619.db2.gz VATPUZLNHUSWMW-LLVKDONJSA-N 1 0 313.379 1.181 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1CN1CCO[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000284715644 218147235 /nfs/dbraw/zinc/14/72/35/218147235.db2.gz ULZRFXDBGTWFQS-CVEARBPZSA-N 1 0 305.378 1.808 20 5 DDBDRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000285096835 218289151 /nfs/dbraw/zinc/28/91/51/218289151.db2.gz NPFDZBXDMHAJGB-GFCCVEGCSA-N 1 0 317.349 1.221 20 5 DDBDRO Cc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])n[nH]2)[NH+](C)C)cc1 ZINC000285179470 218322368 /nfs/dbraw/zinc/32/23/68/218322368.db2.gz QZCWEWUEYRTAMO-CYBMUJFWSA-N 1 0 317.349 1.659 20 5 DDBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000288594431 220271350 /nfs/dbraw/zinc/27/13/50/220271350.db2.gz YEZCUAIJQYNCKY-JQWIXIFHSA-N 1 0 320.349 1.394 20 5 DDBDRO CCC[NH2+]CCNS(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000054266641 183931873 /nfs/dbraw/zinc/93/18/73/183931873.db2.gz UEFFRKDYWHLNLX-UHFFFAOYSA-N 1 0 301.368 1.181 20 5 DDBDRO COc1ccc(C(=O)NCCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000061547438 184174504 /nfs/dbraw/zinc/17/45/04/184174504.db2.gz MPNSNRPKCCMGTA-UHFFFAOYSA-N 1 0 307.350 1.819 20 5 DDBDRO C[C@@H](NC(=O)CCOc1ccccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000269197604 207317364 /nfs/dbraw/zinc/31/73/64/207317364.db2.gz LWHAMQOHHZKNGN-CHWSQXEVSA-N 1 0 321.377 1.868 20 5 DDBDRO C[C@H]1CN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000269223425 207342718 /nfs/dbraw/zinc/34/27/18/207342718.db2.gz SHBWTLLEIHJPEQ-NWDGAFQWSA-N 1 0 306.366 1.227 20 5 DDBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)CCn2cc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000076491652 207352185 /nfs/dbraw/zinc/35/21/85/207352185.db2.gz YIPSKNDDUFMRJG-OCCSQVGLSA-N 1 0 323.397 1.370 20 5 DDBDRO C[C@H]1CS(=O)(=O)C[C@H]1[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000288618296 220294220 /nfs/dbraw/zinc/29/42/20/220294220.db2.gz RJVICLHKDOJXOI-BNHDAMHGSA-N 1 0 310.375 1.631 20 5 DDBDRO C[C@]1(C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)CCC[NH2+]C1 ZINC000567907825 304255096 /nfs/dbraw/zinc/25/50/96/304255096.db2.gz AKQUPUNSDTWXND-HNNXBMFYSA-N 1 0 304.350 1.264 20 5 DDBDRO O=[N+]([O-])c1cnc2ccc(N3CC[C@H]([NH+]4CCCC4)C3)nn21 ZINC000301956234 285185804 /nfs/dbraw/zinc/18/58/04/285185804.db2.gz FLFDEWGQOQPLGF-NSHDSACASA-N 1 0 302.338 1.312 20 5 DDBDRO C[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@H]1CCC[C@@H]1O ZINC000352660155 285204646 /nfs/dbraw/zinc/20/46/46/285204646.db2.gz MUFZGFYNYZMIQM-GJZGRUSLSA-N 1 0 319.361 1.329 20 5 DDBDRO CO[C@H](C[NH3+])CC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000423857724 533149037 /nfs/dbraw/zinc/14/90/37/533149037.db2.gz YZBMPBRZKLKWCT-JTQLQIEISA-N 1 0 301.730 1.228 20 5 DDBDRO Cc1nn(CCC(=O)N2[C@H](C)C[NH+](C)C[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000155300900 197041484 /nfs/dbraw/zinc/04/14/84/197041484.db2.gz XEDLJLCVBIWDKA-GHMZBOCLSA-N 1 0 323.397 1.349 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000154863075 197000116 /nfs/dbraw/zinc/00/01/16/197000116.db2.gz MPIRBIBVYGPGJR-QWHCGFSZSA-N 1 0 321.381 1.042 20 5 DDBDRO CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000289479415 221005081 /nfs/dbraw/zinc/00/50/81/221005081.db2.gz BRTYTJQVNWPLHX-HIFRSBDPSA-N 1 0 305.378 1.888 20 5 DDBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000290033844 221392151 /nfs/dbraw/zinc/39/21/51/221392151.db2.gz GEBCHANMJOYRLL-MNOVXSKESA-N 1 0 321.402 1.998 20 5 DDBDRO O=C(Cc1ccccc1[N+](=O)[O-])N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000290199761 221486164 /nfs/dbraw/zinc/48/61/64/221486164.db2.gz RFLKEJIKNWQACR-OAHLLOKOSA-N 1 0 317.389 1.985 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000414656096 224369616 /nfs/dbraw/zinc/36/96/16/224369616.db2.gz MITRFUYOGRUCKY-NXEZZACHSA-N 1 0 308.338 1.995 20 5 DDBDRO C[N@@H+]1CC[C@@H](Cn2nc(-c3ccc([N+](=O)[O-])cc3)oc2=O)C1 ZINC000352914893 285384473 /nfs/dbraw/zinc/38/44/73/285384473.db2.gz MSIUHKSGNYGFSV-SNVBAGLBSA-N 1 0 304.306 1.363 20 5 DDBDRO CO[C@@H]1CC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000451539476 533414331 /nfs/dbraw/zinc/41/43/31/533414331.db2.gz FISFUGJRPFNBHY-JGGQBBKZSA-N 1 0 324.377 1.691 20 5 DDBDRO COc1ccc(CNC(=O)NCC2([NH3+])CCC2)cc1[N+](=O)[O-] ZINC000417188572 533609559 /nfs/dbraw/zinc/60/95/59/533609559.db2.gz HVNDJNCBIXVRBS-UHFFFAOYSA-N 1 0 308.338 1.284 20 5 DDBDRO C[C@H](CCS(C)(=O)=O)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000569000666 304329263 /nfs/dbraw/zinc/32/92/63/304329263.db2.gz MKCKPMAFMXHUEK-MFKMUULPSA-N 1 0 312.391 1.995 20 5 DDBDRO Cn1c(C(=O)NCC(C)(C)C[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000360597585 299701131 /nfs/dbraw/zinc/70/11/31/299701131.db2.gz MAPXJUQHWSDXFJ-UHFFFAOYSA-N 1 0 308.382 1.785 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC[N@H+](CC2CCC2)CC1 ZINC000569589578 304366830 /nfs/dbraw/zinc/36/68/30/304366830.db2.gz LOIORXISWQQANY-UHFFFAOYSA-N 1 0 320.393 1.881 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(N2C[C@H](C[NH3+])C3(C2)CCOCC3)n1 ZINC000420262267 292289610 /nfs/dbraw/zinc/28/96/10/292289610.db2.gz ALIKTASXDCWRKQ-LBPRGKRZSA-N 1 0 306.366 1.490 20 5 DDBDRO Nc1c(C(=O)N[C@@H]2C[C@@H]2C2CC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000361093621 299800655 /nfs/dbraw/zinc/80/06/55/299800655.db2.gz BJGHFZHXSUIZQY-VXGBXAGGSA-N 1 0 304.350 1.295 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCC(=O)N(C)C1=O ZINC000570793330 304423158 /nfs/dbraw/zinc/42/31/58/304423158.db2.gz SGAUGILOCLGGPY-GXFFZTMASA-N 1 0 305.334 1.701 20 5 DDBDRO CC[N@@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CC1 ZINC000078596878 407035714 /nfs/dbraw/zinc/03/57/14/407035714.db2.gz JOUORLZKNRYPCB-UHFFFAOYSA-N 1 0 320.393 1.829 20 5 DDBDRO COCC[N@H+](C)CCNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000087259161 407118633 /nfs/dbraw/zinc/11/86/33/407118633.db2.gz GFWAQPZLQXVOQL-UHFFFAOYSA-N 1 0 309.366 1.222 20 5 DDBDRO CC[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C[C@@H]1CCCO1 ZINC000051556033 407141588 /nfs/dbraw/zinc/14/15/88/407141588.db2.gz AAESGRFUUFXDJT-HOCLYGCPSA-N 1 0 324.377 1.835 20 5 DDBDRO C[NH2+][C@H]1CCCN(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000053202820 407165850 /nfs/dbraw/zinc/16/58/50/407165850.db2.gz DUGWGHKQZGTOPX-NSHDSACASA-N 1 0 313.379 1.276 20 5 DDBDRO CCC[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000054266571 407181542 /nfs/dbraw/zinc/18/15/42/407181542.db2.gz GYRHIAREGDNYMJ-UHFFFAOYSA-N 1 0 301.368 1.181 20 5 DDBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000102486960 407323513 /nfs/dbraw/zinc/32/35/13/407323513.db2.gz WQHLALCCZDXHMF-NSHDSACASA-N 1 0 309.370 1.127 20 5 DDBDRO C[C@H]1CCC[N@H+](CCNC(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000067292762 407270497 /nfs/dbraw/zinc/27/04/97/407270497.db2.gz UIIVEMZYTREJQV-ZDUSSCGKSA-N 1 0 320.393 1.855 20 5 DDBDRO CC[NH+](CC)CCCNS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000098117422 407305857 /nfs/dbraw/zinc/30/58/57/407305857.db2.gz VHJUAGPPMCUWKH-UHFFFAOYSA-N 1 0 321.424 1.667 20 5 DDBDRO COCC1=CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000185824215 407511621 /nfs/dbraw/zinc/51/16/21/407511621.db2.gz IXVRDDLIJRUQQO-HNNXBMFYSA-N 1 0 322.361 1.613 20 5 DDBDRO CC[N@@H+](Cc1ccccc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266511433 407540976 /nfs/dbraw/zinc/54/09/76/407540976.db2.gz YIOXSEUTBXAFPN-HNNXBMFYSA-N 1 0 304.350 1.674 20 5 DDBDRO CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000178679194 407544155 /nfs/dbraw/zinc/54/41/55/407544155.db2.gz UFZIJWHKQHTRHZ-MNOVXSKESA-N 1 0 322.365 1.788 20 5 DDBDRO CCC[C@](C)([NH3+])C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000261750283 407600661 /nfs/dbraw/zinc/60/06/61/407600661.db2.gz OUDBXFFLQYRJFA-INIZCTEOSA-N 1 0 320.393 1.761 20 5 DDBDRO CC[N@H+](CCCO)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000266873378 407656330 /nfs/dbraw/zinc/65/63/30/407656330.db2.gz RMHMYGHVJGJZHB-UHFFFAOYSA-N 1 0 309.366 1.936 20 5 DDBDRO O=C(CNc1ccccc1[N+](=O)[O-])N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186546557 407698024 /nfs/dbraw/zinc/69/80/24/407698024.db2.gz XIEBLWQXQGAUAC-LBPRGKRZSA-N 1 0 318.377 1.750 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[C@H](OC)C[C@@H]1C[NH3+] ZINC000262038359 407719270 /nfs/dbraw/zinc/71/92/70/407719270.db2.gz BOWAUCFDNVXDHN-KGLIPLIRSA-N 1 0 309.366 1.542 20 5 DDBDRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000186712571 407752897 /nfs/dbraw/zinc/75/28/97/407752897.db2.gz OEIOAVMTFPZCCM-MFKMUULPSA-N 1 0 306.366 1.389 20 5 DDBDRO CC(C)C(=O)NC1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000267068138 407734731 /nfs/dbraw/zinc/73/47/31/407734731.db2.gz KCBJQCRNNUKKSU-UHFFFAOYSA-N 1 0 309.370 1.028 20 5 DDBDRO CC(C)C[C@](C)(C[NH3+])NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000236707152 407758266 /nfs/dbraw/zinc/75/82/66/407758266.db2.gz MUBRYTPUTQFSHN-OAHLLOKOSA-N 1 0 319.365 1.964 20 5 DDBDRO CCOc1cc(N2CC[NH+](C[C@@H](C)O)CC2)ccc1[N+](=O)[O-] ZINC000267201841 407788212 /nfs/dbraw/zinc/78/82/12/407788212.db2.gz JKPNESRNEWJLCB-GFCCVEGCSA-N 1 0 309.366 1.496 20 5 DDBDRO C[C@@H](CNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000186935556 407799365 /nfs/dbraw/zinc/79/93/65/407799365.db2.gz OYBWMSRIWBFEHZ-MNOVXSKESA-N 1 0 322.365 1.546 20 5 DDBDRO C[C@@H]([NH3+])[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000237329779 407812712 /nfs/dbraw/zinc/81/27/12/407812712.db2.gz ZXEFDXUFEIVOLP-BDAKNGLRSA-N 1 0 319.408 1.404 20 5 DDBDRO O=C([C@H]1CC12CC[NH2+]CC2)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000237993777 407866521 /nfs/dbraw/zinc/86/65/21/407866521.db2.gz UXRBHYHZHQGSJU-OAHLLOKOSA-N 1 0 315.373 1.869 20 5 DDBDRO O=C(NC[C@H]1CCC[NH2+]C1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000237993829 407866547 /nfs/dbraw/zinc/86/65/47/407866547.db2.gz YGBZVFQLYRTJBH-VIFPVBQESA-N 1 0 308.294 1.232 20 5 DDBDRO O=C(CC1CC[NH2+]CC1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000238132043 407893047 /nfs/dbraw/zinc/89/30/47/407893047.db2.gz IYYIVEQEQFLRST-UHFFFAOYSA-N 1 0 303.362 1.869 20 5 DDBDRO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@@H]([C@@H](C)O)C2)cccc1[N+](=O)[O-] ZINC000272499378 407949363 /nfs/dbraw/zinc/94/93/63/407949363.db2.gz DLLOUYOSBCQEPA-YNEHKIRRSA-N 1 0 321.377 1.933 20 5 DDBDRO CS[C@@H]1CCCC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000134616584 407916270 /nfs/dbraw/zinc/91/62/70/407916270.db2.gz OZUOWPPISNWEDN-QWHCGFSZSA-N 1 0 314.411 1.370 20 5 DDBDRO CC(C)(C)[NH2+]CCNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000153854962 407917103 /nfs/dbraw/zinc/91/71/03/407917103.db2.gz GVNXGWXEXGUUNL-UHFFFAOYSA-N 1 0 305.338 1.589 20 5 DDBDRO C[C@@H]1CN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C[C@H](C)[NH2+]1 ZINC000153906036 407931015 /nfs/dbraw/zinc/93/10/15/407931015.db2.gz WTYVCEBMPHOQAW-BETUJISGSA-N 1 0 320.393 1.996 20 5 DDBDRO C[C@]1(CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CCC[NH2+]C1 ZINC000273065414 408041326 /nfs/dbraw/zinc/04/13/26/408041326.db2.gz ZKHCDUPIWUNJOB-AWEZNQCLSA-N 1 0 322.321 1.623 20 5 DDBDRO CC(C)(C)[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C[C@H]1O ZINC000273244439 408123231 /nfs/dbraw/zinc/12/32/31/408123231.db2.gz GERNIQHYFXWIGT-ZIAGYGMSSA-N 1 0 323.393 1.485 20 5 DDBDRO CC(=O)N1CC[C@@H](C[N@H+](C)CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000156333724 408251698 /nfs/dbraw/zinc/25/16/98/408251698.db2.gz FKOKSKWIAHDQNR-AWEZNQCLSA-N 1 0 321.377 1.774 20 5 DDBDRO C[C@H]1CC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)[C@@H]1CO ZINC000190371945 408231019 /nfs/dbraw/zinc/23/10/19/408231019.db2.gz JUXRGGWZYHVNBA-GXFFZTMASA-N 1 0 318.333 1.848 20 5 DDBDRO C[C@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@@H]1CCCO1 ZINC000183113567 408329416 /nfs/dbraw/zinc/32/94/16/408329416.db2.gz MHZLWDOYAXSHNR-NHYWBVRUSA-N 1 0 319.361 1.641 20 5 DDBDRO C[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000274136028 408302914 /nfs/dbraw/zinc/30/29/14/408302914.db2.gz YVVGNKWHWGEPTR-NWDGAFQWSA-N 1 0 307.350 1.938 20 5 DDBDRO C[N@H+](CCOc1ccccc1F)CCn1ccc([N+](=O)[O-])n1 ZINC000176198801 408306129 /nfs/dbraw/zinc/30/61/29/408306129.db2.gz DFFGIKNIKZROJD-UHFFFAOYSA-N 1 0 308.313 1.941 20 5 DDBDRO COc1cc(C[NH2+]C2(CO)CCOCC2)c([N+](=O)[O-])cc1F ZINC000274352248 408374173 /nfs/dbraw/zinc/37/41/73/408374173.db2.gz XFFIZBRBBMOXDS-UHFFFAOYSA-N 1 0 314.313 1.374 20 5 DDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)[C@@H](C[NH3+])C1CC1 ZINC000159931947 408447178 /nfs/dbraw/zinc/44/71/78/408447178.db2.gz MKRJTSAIKHDUDL-LBPRGKRZSA-N 1 0 313.379 1.261 20 5 DDBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)Nc3ccncc3[N+](=O)[O-])CC[C@@H]21 ZINC000183612290 408455057 /nfs/dbraw/zinc/45/50/57/408455057.db2.gz SAYDBMBTINCZTD-AAEUAGOBSA-N 1 0 319.365 1.938 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H](C)C[NH+]2CCCCC2)n1 ZINC000191779793 408490376 /nfs/dbraw/zinc/49/03/76/408490376.db2.gz CZNOLBKBHXVHQW-GFCCVEGCSA-N 1 0 323.397 1.663 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](C)C[NH+]2CCCCCC2)n1 ZINC000191895750 408505914 /nfs/dbraw/zinc/50/59/14/408505914.db2.gz SSARZEDZIMJKDL-GFCCVEGCSA-N 1 0 323.397 1.806 20 5 DDBDRO C[C@H]1C[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2N)C[N@@H+]1C1CC1 ZINC000177121121 408525511 /nfs/dbraw/zinc/52/55/11/408525511.db2.gz UMKKDXRQWQXLLT-VHSXEESVSA-N 1 0 304.350 1.532 20 5 DDBDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000176890072 408466930 /nfs/dbraw/zinc/46/69/30/408466930.db2.gz KNRZXSNSTIYRIV-AWEZNQCLSA-N 1 0 323.393 1.610 20 5 DDBDRO COc1ccc(C[C@](C)([NH3+])CNc2c([N+](=O)[O-])ncn2C)cc1 ZINC000269942990 408477120 /nfs/dbraw/zinc/47/71/20/408477120.db2.gz HDASBLKRIAVJBD-HNNXBMFYSA-N 1 0 319.365 1.709 20 5 DDBDRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)/C=C/c3cccc([N+](=O)[O-])c3)C[C@H]12 ZINC000248595055 408593333 /nfs/dbraw/zinc/59/33/33/408593333.db2.gz HZHRQWYMGSSIGD-GHGOVOOCSA-N 1 0 301.346 1.804 20 5 DDBDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000265270501 408600217 /nfs/dbraw/zinc/60/02/17/408600217.db2.gz GLKIWLCSIADWGC-CYBMUJFWSA-N 1 0 305.378 1.938 20 5 DDBDRO CCc1n[nH]c(C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c1[N+](=O)[O-] ZINC000192792426 408649346 /nfs/dbraw/zinc/64/93/46/408649346.db2.gz YKVWBMOXBAESOJ-PWSUYJOCSA-N 1 0 321.381 1.437 20 5 DDBDRO CCc1ccc(C(=O)N2C[C@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1[N+](=O)[O-] ZINC000184959580 408725276 /nfs/dbraw/zinc/72/52/76/408725276.db2.gz PEJVLHIDVPTZOP-MGPQQGTHSA-N 1 0 303.362 1.967 20 5 DDBDRO C[C@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@H]1CCOC1 ZINC000162742410 408730565 /nfs/dbraw/zinc/73/05/65/408730565.db2.gz PGFDIWIJGNGDGN-AAEUAGOBSA-N 1 0 319.361 1.499 20 5 DDBDRO C[C@H](C[NH+]1CCOCC1)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000270923027 408740922 /nfs/dbraw/zinc/74/09/22/408740922.db2.gz JKBNAZIFIMTEIP-CYBMUJFWSA-N 1 0 321.377 1.222 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCN(CC[NH+](C)C)CC1 ZINC000194772801 408795936 /nfs/dbraw/zinc/79/59/36/408795936.db2.gz LHKQYVINJASRFO-UHFFFAOYSA-N 1 0 320.393 1.223 20 5 DDBDRO C[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C[C@H]1CCOC1 ZINC000178343338 408808310 /nfs/dbraw/zinc/80/83/10/408808310.db2.gz LSBBIXZBEFWHTH-OCCSQVGLSA-N 1 0 310.350 1.303 20 5 DDBDRO CC[C@H]([NH2+]CC(=O)N1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000178069948 408769063 /nfs/dbraw/zinc/76/90/63/408769063.db2.gz JIEYTQFRNGMIJP-HNNXBMFYSA-N 1 0 320.393 1.410 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(OC[C@H](O)C[N@H+](C)C2CC2)c1 ZINC000290780819 408830762 /nfs/dbraw/zinc/83/07/62/408830762.db2.gz MXICEMYAPLZDIB-GFCCVEGCSA-N 1 0 324.333 1.215 20 5 DDBDRO COC[C@H](O)C[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000290821848 408839059 /nfs/dbraw/zinc/83/90/59/408839059.db2.gz HCWSYBDLUJNDBJ-SECBINFHSA-N 1 0 309.149 1.999 20 5 DDBDRO C[C@H](CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])C[NH+](C)C ZINC000291668027 408904163 /nfs/dbraw/zinc/90/41/63/408904163.db2.gz DEQLDYLEIAVSEN-SNVBAGLBSA-N 1 0 315.395 1.608 20 5 DDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000190667911 163151685 /nfs/dbraw/zinc/15/16/85/163151685.db2.gz BWNJPGVKWPCEKO-UHFFFAOYSA-N 1 0 304.350 1.487 20 5 DDBDRO C[C@H](C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1)c1ccc([N+](=O)[O-])cc1F ZINC000192464648 163223560 /nfs/dbraw/zinc/22/35/60/163223560.db2.gz OLQVQBQVYJPGRG-SDDRHHMPSA-N 1 0 321.352 1.857 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1CCOC[C@H]1C ZINC000277410507 408936012 /nfs/dbraw/zinc/93/60/12/408936012.db2.gz JOPXCAYRUKQIMQ-DGCLKSJQSA-N 1 0 307.350 1.856 20 5 DDBDRO C[C@@]1(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CCC[NH2+]C1 ZINC000237569176 163380990 /nfs/dbraw/zinc/38/09/90/163380990.db2.gz PPZYNSOODSATGL-MRXNPFEDSA-N 1 0 303.362 1.869 20 5 DDBDRO C[C@@H]1COCC[C@@H]1[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000277496515 408952663 /nfs/dbraw/zinc/95/26/63/408952663.db2.gz PDOQQJNLQUSEAL-RISCZKNCSA-N 1 0 319.361 1.499 20 5 DDBDRO COCC(C)(C)[N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000292099541 408980672 /nfs/dbraw/zinc/98/06/72/408980672.db2.gz HUFMFAYEKOQQBW-LBPRGKRZSA-N 1 0 312.366 1.691 20 5 DDBDRO C[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[C@H]1O ZINC000286454144 408987546 /nfs/dbraw/zinc/98/75/46/408987546.db2.gz JZUVJRYQXCGMNN-BPLDGKMQSA-N 1 0 310.350 1.180 20 5 DDBDRO Cc1cc(OCC(=O)NC[C@H](C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000292241632 409008777 /nfs/dbraw/zinc/00/87/77/409008777.db2.gz DCQSEMLQYIKTII-NSHDSACASA-N 1 0 309.366 1.596 20 5 DDBDRO COC[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCCO1 ZINC000279011176 409131098 /nfs/dbraw/zinc/13/10/98/409131098.db2.gz FKOSCPJOQDOQDD-HUUCEWRRSA-N 1 0 310.350 1.757 20 5 DDBDRO COC[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCO1 ZINC000279011175 409131119 /nfs/dbraw/zinc/13/11/19/409131119.db2.gz FKOSCPJOQDOQDD-GJZGRUSLSA-N 1 0 310.350 1.757 20 5 DDBDRO C[NH2+][C@@H](C)Cc1noc(CCNc2ccccc2[N+](=O)[O-])n1 ZINC000261795740 163704226 /nfs/dbraw/zinc/70/42/26/163704226.db2.gz OTRSEPVWJKWDIY-JTQLQIEISA-N 1 0 305.338 1.783 20 5 DDBDRO C[NH+](C)CCCNC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000294240542 409264705 /nfs/dbraw/zinc/26/47/05/409264705.db2.gz NIHLZPQOEVTFPE-UHFFFAOYSA-N 1 0 317.349 1.666 20 5 DDBDRO COc1ccc(NC(=O)[C@H]2CC23CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000262040224 163755058 /nfs/dbraw/zinc/75/50/58/163755058.db2.gz BTMAWWXDVCVVTQ-LLVKDONJSA-N 1 0 305.334 1.932 20 5 DDBDRO O=[N+]([O-])c1ccn(CCN2CC[C@H](n3cc(Cl)cn3)C2)n1 ZINC000289410581 409266170 /nfs/dbraw/zinc/26/61/70/409266170.db2.gz AGVHIKSNKUIJTR-NSHDSACASA-N 1 0 310.745 1.588 20 5 DDBDRO CC1(C)OCC[C@H]1[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000295218708 409383475 /nfs/dbraw/zinc/38/34/75/409383475.db2.gz MXRIYJCDWKSVCI-BXUZGUMPSA-N 1 0 310.350 1.492 20 5 DDBDRO CC[C@H](C)[NH+]1CCN(c2nccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000296049143 409411120 /nfs/dbraw/zinc/41/11/20/409411120.db2.gz QIRGEEKLODPSDS-JTQLQIEISA-N 1 0 307.354 1.009 20 5 DDBDRO C[NH+](C)C1(CNc2nccc(C(N)=O)c2[N+](=O)[O-])CCCCC1 ZINC000290550540 409440475 /nfs/dbraw/zinc/44/04/75/409440475.db2.gz QLEJMXPNXSVCBN-UHFFFAOYSA-N 1 0 321.381 1.765 20 5 DDBDRO C[C@H](CNc1nccc(C(N)=O)c1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000290628075 409466966 /nfs/dbraw/zinc/46/69/66/409466966.db2.gz MEFYJQORKRNZSD-LLVKDONJSA-N 1 0 321.381 1.623 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N(C)CC[NH+]2CCCC2)c1 ZINC000317613741 164028076 /nfs/dbraw/zinc/02/80/76/164028076.db2.gz VJCAHAGCBYMUCS-UHFFFAOYSA-N 1 0 307.350 1.913 20 5 DDBDRO Cc1nc(NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000296253431 409480247 /nfs/dbraw/zinc/48/02/47/409480247.db2.gz FVBQVIYBIXTDTR-QWRGUYRKSA-N 1 0 309.370 1.604 20 5 DDBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290684378 409486219 /nfs/dbraw/zinc/48/62/19/409486219.db2.gz SUOMGKJCRMMDKA-GHMZBOCLSA-N 1 0 321.381 1.621 20 5 DDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000353914489 409557926 /nfs/dbraw/zinc/55/79/26/409557926.db2.gz RSCQQWDXOVVLKO-OAHLLOKOSA-N 1 0 322.365 1.345 20 5 DDBDRO CC[C@H](CNS(C)(=O)=O)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000296506321 409592451 /nfs/dbraw/zinc/59/24/51/409592451.db2.gz PHPRZTZLQVRMNA-ZYHUDNBSSA-N 1 0 315.395 1.573 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H]([NH+](C)C)CC2)n1 ZINC000331625497 409708011 /nfs/dbraw/zinc/70/80/11/409708011.db2.gz KQCBTAGYJWUYPJ-NSHDSACASA-N 1 0 309.370 1.368 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)n1 ZINC000331584518 409662068 /nfs/dbraw/zinc/66/20/68/409662068.db2.gz MXTZUVSNLJZRQY-NWDGAFQWSA-N 1 0 321.381 1.510 20 5 DDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357078619 409851720 /nfs/dbraw/zinc/85/17/20/409851720.db2.gz RKDNZEIVKUJFOW-AGIUHOORSA-N 1 0 318.377 1.463 20 5 DDBDRO C[C@H]([NH2+][C@H]1CCCN(C)[C@H]1C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000342729204 409853261 /nfs/dbraw/zinc/85/32/61/409853261.db2.gz JPLSBIDUYWLTRU-AVGNSLFASA-N 1 0 320.393 1.994 20 5 DDBDRO COc1ccc(NC(=O)CCN2CCC[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000346100540 409783661 /nfs/dbraw/zinc/78/36/61/409783661.db2.gz SOUYGUKMPZTEIJ-NSHDSACASA-N 1 0 322.365 1.355 20 5 DDBDRO Cc1cc(N2CCC[C@](O)(CO)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000313669243 409814978 /nfs/dbraw/zinc/81/49/78/409814978.db2.gz LZVXVLCZMTZBFR-MRXNPFEDSA-N 1 0 317.345 1.775 20 5 DDBDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000346617238 410038927 /nfs/dbraw/zinc/03/89/27/410038927.db2.gz AOHJVMKKAWJGIR-GFCCVEGCSA-N 1 0 308.382 1.784 20 5 DDBDRO C[C@H](CNC(=O)Cn1ccc([N+](=O)[O-])n1)[NH+]1CCC(C)CC1 ZINC000067270112 298692620 /nfs/dbraw/zinc/69/26/20/298692620.db2.gz SYQGREKPCYAPHJ-GFCCVEGCSA-N 1 0 309.370 1.028 20 5 DDBDRO CC(C)[NH+](CCNc1ncc([N+](=O)[O-])cc1C(N)=O)C(C)C ZINC000298275532 410161652 /nfs/dbraw/zinc/16/16/52/410161652.db2.gz DAWZSYBNHODAKP-UHFFFAOYSA-N 1 0 309.370 1.619 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H](CCO)C(C)C ZINC000355061429 410277072 /nfs/dbraw/zinc/27/70/72/410277072.db2.gz VMYUIZYQAKKPCT-LBPRGKRZSA-N 1 0 309.366 1.838 20 5 DDBDRO COc1ccc(C(=O)N[C@@H]2CCC[N@H+](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000343525033 410509720 /nfs/dbraw/zinc/50/97/20/410509720.db2.gz LSZZEVSEIMJNMJ-CMPLNLGQSA-N 1 0 307.350 1.816 20 5 DDBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000359354890 410619399 /nfs/dbraw/zinc/61/93/99/410619399.db2.gz VEYHAIPMODNPCT-CYBMUJFWSA-N 1 0 318.377 1.673 20 5 DDBDRO C[C@]1(C(N)=O)CC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000355678131 410636207 /nfs/dbraw/zinc/63/62/07/410636207.db2.gz ICMIHNDPEXSMJP-HNNXBMFYSA-N 1 0 321.333 1.159 20 5 DDBDRO C[C@H]1[C@H](C)[N@H+](C)CCN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337299228 410699750 /nfs/dbraw/zinc/69/97/50/410699750.db2.gz MGDUOFBPHNPWIR-STQMWFEESA-N 1 0 320.393 1.948 20 5 DDBDRO CC[N@@H+]1CCCC[C@@H]1CNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000301234100 410681447 /nfs/dbraw/zinc/68/14/47/410681447.db2.gz GUXYDRWVNZPVHD-SNVBAGLBSA-N 1 0 307.354 1.375 20 5 DDBDRO Cc1nn(C)c(NC2CC[NH+](C[C@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000301268933 410687945 /nfs/dbraw/zinc/68/79/45/410687945.db2.gz IZRKYACAPKURJG-GFCCVEGCSA-N 1 0 323.397 1.550 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@@H]2c2ccccc2)c1 ZINC000353046450 410756644 /nfs/dbraw/zinc/75/66/44/410756644.db2.gz AROHVGADWQJTLB-HUUCEWRRSA-N 1 0 302.334 1.599 20 5 DDBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000359781633 410875958 /nfs/dbraw/zinc/87/59/58/410875958.db2.gz FGKSBYLGLZIWTM-LBPRGKRZSA-N 1 0 311.386 1.418 20 5 DDBDRO C[N@H+](CCC1CCOCC1)CCn1cc([N+](=O)[O-])ccc1=O ZINC000132559456 196265459 /nfs/dbraw/zinc/26/54/59/196265459.db2.gz WRNSUKNDDYDBIG-UHFFFAOYSA-N 1 0 309.366 1.505 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCc3ccsc3C2)c1 ZINC000132593957 196268718 /nfs/dbraw/zinc/26/87/18/196268718.db2.gz YVJJYHMUPZPFBU-LBPRGKRZSA-N 1 0 308.363 1.272 20 5 DDBDRO CNc1nccc(C(=O)NC[C@H]2CCCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000600311701 416618186 /nfs/dbraw/zinc/61/81/86/416618186.db2.gz CEDWRHYLTIJWEK-LLVKDONJSA-N 1 0 321.381 1.493 20 5 DDBDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000417232835 225257478 /nfs/dbraw/zinc/25/74/78/225257478.db2.gz NHCUYIUIXOBYFZ-YPMHNXCESA-N 1 0 306.366 1.516 20 5 DDBDRO C[C@H](C[NH3+])NC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000418514412 225771783 /nfs/dbraw/zinc/77/17/83/225771783.db2.gz OGVJKMLFJMVWPH-YPMHNXCESA-N 1 0 306.366 1.831 20 5 DDBDRO C[NH2+][C@@H]1CCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000160668114 221707791 /nfs/dbraw/zinc/70/77/91/221707791.db2.gz SIEFYAJBVGDTEI-LLVKDONJSA-N 1 0 315.333 1.214 20 5 DDBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000360571446 418467574 /nfs/dbraw/zinc/46/75/74/418467574.db2.gz UULXMJRDEWEVHJ-LRDDRELGSA-N 1 0 318.377 1.607 20 5 DDBDRO CC(C)C1(C)CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000186187811 221956960 /nfs/dbraw/zinc/95/69/60/221956960.db2.gz MVYIAIJHNJTFAM-AWEZNQCLSA-N 1 0 310.398 1.910 20 5 DDBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])cnc1N)C[NH+]1CCCC1 ZINC000180538622 221905582 /nfs/dbraw/zinc/90/55/82/221905582.db2.gz WLLMCWGRZCUVHC-JTQLQIEISA-N 1 0 307.354 1.034 20 5 DDBDRO COCCO[C@H]1CCN(Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000189726083 222053324 /nfs/dbraw/zinc/05/33/24/222053324.db2.gz VAJMSNPBWLGNAJ-AWEZNQCLSA-N 1 0 310.350 1.841 20 5 DDBDRO C[N@@H+]1CC[C@H]2CCN(CCOc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000375036889 418593089 /nfs/dbraw/zinc/59/30/89/418593089.db2.gz IJGGVTLPBJRZJV-BBRMVZONSA-N 1 0 305.378 2.000 20 5 DDBDRO CC[NH+](CC)C[C@H](C)Nc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000341781566 418626197 /nfs/dbraw/zinc/62/61/97/418626197.db2.gz WHQFSCHVIBZIQR-JTQLQIEISA-N 1 0 319.365 2.386 20 5 DDBDRO CC[NH+](CC)[C@H](CNc1ncc([N+](=O)[O-])c(N)n1)CC(C)C ZINC000341808431 418626693 /nfs/dbraw/zinc/62/66/93/418626693.db2.gz HNXKEFJFSKEHNW-NSHDSACASA-N 1 0 310.402 1.557 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H]2C(=O)NC[C@@H]2C1 ZINC000368232017 418707794 /nfs/dbraw/zinc/70/77/94/418707794.db2.gz YVSRPARRAMNZRF-YPMHNXCESA-N 1 0 305.334 1.171 20 5 DDBDRO COC(=O)c1cnc(N2CC[C@@]3(CC[N@H+](C)C3)C2)c([N+](=O)[O-])c1 ZINC000368305464 418717819 /nfs/dbraw/zinc/71/78/19/418717819.db2.gz VZCQDLSTRJNEEB-OAHLLOKOSA-N 1 0 320.349 1.308 20 5 DDBDRO COc1cc(CN2C[C@@H](C)O[C@@]3(CCOC3)C2)ccc1[N+](=O)[O-] ZINC000361506886 418665000 /nfs/dbraw/zinc/66/50/00/418665000.db2.gz BSODHWIWIIRLNH-WBMJQRKESA-N 1 0 322.361 1.983 20 5 DDBDRO COc1cc(CN2C[C@H](C)O[C@]3(CCOC3)C2)ccc1[N+](=O)[O-] ZINC000361506883 418665155 /nfs/dbraw/zinc/66/51/55/418665155.db2.gz BSODHWIWIIRLNH-BLLLJJGKSA-N 1 0 322.361 1.983 20 5 DDBDRO CC1CC[NH+](C2CCC(NC(=O)[C@H]3C[C@H]3[N+](=O)[O-])CC2)CC1 ZINC000370938557 418751449 /nfs/dbraw/zinc/75/14/49/418751449.db2.gz BFUBWUIXPRNQAS-PFSRBDOWSA-N 1 0 309.410 1.811 20 5 DDBDRO COC(=O)c1cnc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000365055773 418834449 /nfs/dbraw/zinc/83/44/49/418834449.db2.gz WJBLFOZWVNJZTE-NWDGAFQWSA-N 1 0 320.349 1.815 20 5 DDBDRO O=C1NC[C@@]2(CCC[N@@H+](CCOc3cccc([N+](=O)[O-])c3)C2)O1 ZINC000364788201 418809987 /nfs/dbraw/zinc/80/99/87/418809987.db2.gz JAKKZRVUJNSOGK-OAHLLOKOSA-N 1 0 321.333 1.548 20 5 DDBDRO COc1ccc(NC(=O)CC[N@@H+]2C[C@@H](O)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000411420299 418902696 /nfs/dbraw/zinc/90/26/96/418902696.db2.gz JIUDIBBQMPHMIF-QWRGUYRKSA-N 1 0 323.349 1.387 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N(CCC[NH3+])CC2CCCC2)n1 ZINC000423642486 227587652 /nfs/dbraw/zinc/58/76/52/227587652.db2.gz LNLYLKAGKGUTQK-UHFFFAOYSA-N 1 0 323.397 1.792 20 5 DDBDRO [NH3+][C@@H](CC1CCCCC1)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000423891138 227776540 /nfs/dbraw/zinc/77/65/40/227776540.db2.gz BGGCRLQQTCXASO-ZDUSSCGKSA-N 1 0 309.370 1.205 20 5 DDBDRO [NH3+]CC[C@@H](NC(=O)NCCc1cccc([N+](=O)[O-])c1)C(F)F ZINC000417944736 419406312 /nfs/dbraw/zinc/40/63/12/419406312.db2.gz QAVRQNXOCZQNER-LLVKDONJSA-N 1 0 316.308 1.419 20 5 DDBDRO C[C@H]1[C@H](CO)CC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411656132 419373588 /nfs/dbraw/zinc/37/35/88/419373588.db2.gz PJPSQIHSGCPQHB-RYUDHWBXSA-N 1 0 307.350 1.626 20 5 DDBDRO C[C@@H]1C[C@@H](CO)C[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000420948119 419378183 /nfs/dbraw/zinc/37/81/83/419378183.db2.gz VJWNIIKPZQWSPE-UMVBOHGHSA-N 1 0 324.377 1.285 20 5 DDBDRO CN(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C[C@@H]1CCC[N@@H+]1C ZINC000421011131 419445658 /nfs/dbraw/zinc/44/56/58/419445658.db2.gz RZYMNIVETGQFCH-HNNXBMFYSA-N 1 0 320.393 1.584 20 5 DDBDRO C[C@@H]1[C@H](CO)CCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000412079773 419633474 /nfs/dbraw/zinc/63/34/74/419633474.db2.gz NATDXKPYNVKAED-IPYPFGDCSA-N 1 0 324.377 1.427 20 5 DDBDRO O=C(N[C@@H]1CCC[NH2+]C1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000418389718 419767083 /nfs/dbraw/zinc/76/70/83/419767083.db2.gz WRBCLDWEZRUIMD-GFCCVEGCSA-N 1 0 320.349 1.251 20 5 DDBDRO COc1ccc(OCCN2CC[C@@H]3[NH2+]CC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000428033816 419792316 /nfs/dbraw/zinc/79/23/16/419792316.db2.gz NCQGAEVNFKAWSI-OCCSQVGLSA-N 1 0 321.377 1.666 20 5 DDBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000414932428 419879824 /nfs/dbraw/zinc/87/98/24/419879824.db2.gz RBXQHEKUBICHDF-YWPYICTPSA-N 1 0 320.393 1.900 20 5 DDBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000430948664 228986825 /nfs/dbraw/zinc/98/68/25/228986825.db2.gz KVJXABQFMLJCTF-UTUOFQBUSA-N 1 0 306.366 1.604 20 5 DDBDRO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CC[NH2+]CC1 ZINC000414948639 419886531 /nfs/dbraw/zinc/88/65/31/419886531.db2.gz MMIAKELQGAWRCF-UHFFFAOYSA-N 1 0 316.264 1.633 20 5 DDBDRO Cc1ccc([C@@H](CNc2ncc([N+](=O)[O-])c(N)n2)[NH+](C)C)cc1 ZINC000299343850 229063276 /nfs/dbraw/zinc/06/32/76/229063276.db2.gz KWSNGBWKCGUPQH-GFCCVEGCSA-N 1 0 316.365 1.990 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[NH+](CC(C)C)CC1 ZINC000299567932 229218513 /nfs/dbraw/zinc/21/85/13/229218513.db2.gz ZEEBCOXOXSKDNQ-UHFFFAOYSA-N 1 0 323.397 1.290 20 5 DDBDRO COc1ccc(NC(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1[N+](=O)[O-] ZINC000415443191 420067593 /nfs/dbraw/zinc/06/75/93/420067593.db2.gz QTWLMTDAZIQLTQ-MNOVXSKESA-N 1 0 320.349 1.677 20 5 DDBDRO O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000423613641 420100091 /nfs/dbraw/zinc/10/00/91/420100091.db2.gz VTCQBPZKEGRWTA-PHIMTYICSA-N 1 0 312.329 1.434 20 5 DDBDRO CC(C)c1ccc(C(=O)NC[C@@H]2C[NH2+]C[C@H]2O)cc1[N+](=O)[O-] ZINC000423683196 420124980 /nfs/dbraw/zinc/12/49/80/420124980.db2.gz WOKQAPFQYVKAJP-SMDDNHRTSA-N 1 0 307.350 1.028 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000423698005 420130703 /nfs/dbraw/zinc/13/07/03/420130703.db2.gz MAELICUPCLDFCX-LBPRGKRZSA-N 1 0 313.304 1.939 20 5 DDBDRO [NH3+]C[C@@H]1CN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CCCO1 ZINC000415633778 420131235 /nfs/dbraw/zinc/13/12/35/420131235.db2.gz RCERYJHXSMRKKQ-GFCCVEGCSA-N 1 0 312.301 1.315 20 5 DDBDRO COc1cccc(C(=O)NCCC[C@@H]2CCC[NH2+]2)c1[N+](=O)[O-] ZINC000423704199 420133618 /nfs/dbraw/zinc/13/36/18/420133618.db2.gz MBTWJLSZMDZDNU-NSHDSACASA-N 1 0 307.350 1.865 20 5 DDBDRO CC(C)[C@](C)(C[NH3+])NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000430562969 420137547 /nfs/dbraw/zinc/13/75/47/420137547.db2.gz HCZWUZXQMXSKEX-INIZCTEOSA-N 1 0 320.393 1.447 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NCC1=CC[NH2+]CC1 ZINC000415502772 420091943 /nfs/dbraw/zinc/09/19/43/420091943.db2.gz NWRYQFOFXYQFFI-UHFFFAOYSA-N 1 0 306.322 1.645 20 5 DDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430571027 420143472 /nfs/dbraw/zinc/14/34/72/420143472.db2.gz NHGWQEBYURTDLU-YNEHKIRRSA-N 1 0 320.393 1.981 20 5 DDBDRO COCC[NH2+]CC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000423723256 420143867 /nfs/dbraw/zinc/14/38/67/420143867.db2.gz LIEXHNAYTHVVRT-UHFFFAOYSA-N 1 0 307.350 1.322 20 5 DDBDRO C[C@H]([NH3+])[C@H]1CCCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000430571018 420144362 /nfs/dbraw/zinc/14/43/62/420144362.db2.gz NHGWQEBYURTDLU-AVGNSLFASA-N 1 0 320.393 1.981 20 5 DDBDRO [NH3+]C[C@H]1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000430940014 420215640 /nfs/dbraw/zinc/21/56/40/420215640.db2.gz IKCJTUHZXJLYEO-SNVBAGLBSA-N 1 0 303.322 1.425 20 5 DDBDRO COc1ccc(OCCN(C)C2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000430624478 420163079 /nfs/dbraw/zinc/16/30/79/420163079.db2.gz IUNOOUGEIPVYQZ-UHFFFAOYSA-N 1 0 309.366 1.666 20 5 DDBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1NC[C@@H]1C[NH2+]C[C@H]1O ZINC000420248995 420167495 /nfs/dbraw/zinc/16/74/95/420167495.db2.gz XAYVWFXGUGGCMK-QUBYGPBYSA-N 1 0 306.149 1.894 20 5 DDBDRO Cc1c(NC(=O)[C@@H](C)N2CCC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000430964773 420226316 /nfs/dbraw/zinc/22/63/16/420226316.db2.gz GEVGZYPYTDXMDN-GFCCVEGCSA-N 1 0 306.366 1.526 20 5 DDBDRO CN(C(=O)CN[C@@H](C[NH3+])C(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000420359720 420233953 /nfs/dbraw/zinc/23/39/53/420233953.db2.gz KFEWDEOAXNNFLU-ZDUSSCGKSA-N 1 0 308.382 1.521 20 5 DDBDRO COc1cccc(C(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000435871609 420291511 /nfs/dbraw/zinc/29/15/11/420291511.db2.gz UCKPNRVQGZRRHH-LBPRGKRZSA-N 1 0 319.361 1.912 20 5 DDBDRO C[N@H+](C[C@H](O)CNCCNc1ccccc1[N+](=O)[O-])C1CC1 ZINC001120569875 782028202 /nfs/dbraw/zinc/02/82/02/782028202.db2.gz LGYHYTVYHLCQGT-CYBMUJFWSA-N 1 0 308.382 1.051 20 5 DDBDRO [NH3+]CC[C@@H](NC(=O)NCCc1ccccc1[N+](=O)[O-])C(F)F ZINC000417762452 420470876 /nfs/dbraw/zinc/47/08/76/420470876.db2.gz IRVJBKQTZZHNAB-SNVBAGLBSA-N 1 0 316.308 1.419 20 5 DDBDRO Cc1ccc(NCCCNC(=O)N2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000417718593 420459942 /nfs/dbraw/zinc/45/99/42/420459942.db2.gz OQSUBSKVOMNMEI-UHFFFAOYSA-N 1 0 321.381 1.320 20 5 DDBDRO C[C@@H]1[NH2+]CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000440801870 420608729 /nfs/dbraw/zinc/60/87/29/420608729.db2.gz BKSMJPHJOMHFBB-QWRGUYRKSA-N 1 0 313.379 1.107 20 5 DDBDRO CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000451106985 420591338 /nfs/dbraw/zinc/59/13/38/420591338.db2.gz QTVPMTNOIBEZHL-UWVGGRQHSA-N 1 0 308.338 1.480 20 5 DDBDRO CC(C)(CN1CCCC1)[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000452091390 420623834 /nfs/dbraw/zinc/62/38/34/420623834.db2.gz BJFNTCLYWIACQA-UHFFFAOYSA-N 1 0 308.382 1.221 20 5 DDBDRO CCOc1cc(CN2CC[C@@H](NC(=O)NC)C2)ccc1[N+](=O)[O-] ZINC000492874498 420697263 /nfs/dbraw/zinc/69/72/63/420697263.db2.gz PQUFSJKTSICSNE-GFCCVEGCSA-N 1 0 322.365 1.497 20 5 DDBDRO COCC[C@@]1([NH2+]CCOc2ccccc2[N+](=O)[O-])CCOC1 ZINC000447405195 420772752 /nfs/dbraw/zinc/77/27/52/420772752.db2.gz WTYAGIZDVVZNJP-OAHLLOKOSA-N 1 0 310.350 1.759 20 5 DDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000442759113 420709795 /nfs/dbraw/zinc/70/97/95/420709795.db2.gz KGJMNTNXFKZLLW-IJLUTSLNSA-N 1 0 306.366 1.591 20 5 DDBDRO COc1cc(C[NH2+]C[C@@]2(C)CCC(=O)N2)c([N+](=O)[O-])cc1O ZINC000453589468 420733751 /nfs/dbraw/zinc/73/37/51/420733751.db2.gz MXOIWSIHBUQSHK-CQSZACIVSA-N 1 0 309.322 1.067 20 5 DDBDRO [NH3+]CC[C@H](NC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-])C(F)F ZINC000493275165 420806706 /nfs/dbraw/zinc/80/67/06/420806706.db2.gz XUOUJTWHNHVGGA-GQPNGRKGSA-N 1 0 317.267 1.846 20 5 DDBDRO CCOC[C@@H]1CCCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000459706765 420853456 /nfs/dbraw/zinc/85/34/56/420853456.db2.gz JEAHJLPCSPMOSU-GXTWGEPZSA-N 1 0 312.370 1.043 20 5 DDBDRO C[NH2+]C[C@@H]1CCCN1C(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000493760674 420935785 /nfs/dbraw/zinc/93/57/85/420935785.db2.gz SZBVBDFHGYQFHJ-VGVVRCBHSA-N 1 0 307.325 1.958 20 5 DDBDRO CC[NH+](CC)[C@@H](C)CNC(=O)c1ccc([N+](=O)[O-])c(NC)n1 ZINC000455633265 421047145 /nfs/dbraw/zinc/04/71/45/421047145.db2.gz CEQJRIZWWXSZTF-JTQLQIEISA-N 1 0 309.370 1.492 20 5 DDBDRO COc1ccc(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)cc1[N+](=O)[O-] ZINC000449655984 421047278 /nfs/dbraw/zinc/04/72/78/421047278.db2.gz IRBAZTNQPOTBGV-LLVKDONJSA-N 1 0 315.276 1.330 20 5 DDBDRO COc1ccc(OCC[N@@H+]2CC[C@@H](CO)[C@H]2C)c([N+](=O)[O-])c1 ZINC000488753102 421112129 /nfs/dbraw/zinc/11/21/29/421112129.db2.gz QHDPAOIMYJIDDM-NEPJUHHUSA-N 1 0 310.350 1.685 20 5 DDBDRO [NH3+]CC[C@@H](NC(=O)CNc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000449721542 421069263 /nfs/dbraw/zinc/06/92/63/421069263.db2.gz OQQROJHWJATIRP-SNVBAGLBSA-N 1 0 320.271 1.403 20 5 DDBDRO CN(CC(=O)N[C@@H]1CC[C@@H](C[NH3+])C1)c1ccccc1[N+](=O)[O-] ZINC000449727341 421070258 /nfs/dbraw/zinc/07/02/58/421070258.db2.gz PIPJAFIKLIMPJV-VXGBXAGGSA-N 1 0 306.366 1.275 20 5 DDBDRO CCC[N@H+](CC)CCNC(=O)c1ccc([N+](=O)[O-])c(NC)n1 ZINC000455867805 421070620 /nfs/dbraw/zinc/07/06/20/421070620.db2.gz XIPIUWQMVHWIMH-UHFFFAOYSA-N 1 0 309.370 1.493 20 5 DDBDRO CC[C@@H](C)[NH+]1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000456541670 421181041 /nfs/dbraw/zinc/18/10/41/421181041.db2.gz DHPSODIAXCAYEC-CYBMUJFWSA-N 1 0 320.393 1.949 20 5 DDBDRO O=[N+]([O-])c1ccc2[nH]c(=NC[C@H]3CCCC[N@H+]3CCO)[nH]c2c1 ZINC000450613304 421216941 /nfs/dbraw/zinc/21/69/41/421216941.db2.gz LQJFJAAUGADEBW-GFCCVEGCSA-N 1 0 319.365 1.152 20 5 DDBDRO C[C@H]1CN(c2nccc3c2cccc3[N+](=O)[O-])CC[N@@H+]1CCO ZINC000450452368 421199620 /nfs/dbraw/zinc/19/96/20/421199620.db2.gz MIZOZAXEHKOIAU-LBPRGKRZSA-N 1 0 316.361 1.646 20 5 DDBDRO O=C(NCC[C@H]1CCC[NH2+]C1)NCc1cccc([N+](=O)[O-])c1 ZINC000561152590 421309178 /nfs/dbraw/zinc/30/91/78/421309178.db2.gz KZRSYSXRRNDDJA-GFCCVEGCSA-N 1 0 306.366 1.784 20 5 DDBDRO O=[N+]([O-])c1cccc(CN2CCC(CO)([NH2+]CC3CC3)CC2)c1 ZINC000563539053 421519310 /nfs/dbraw/zinc/51/93/10/421519310.db2.gz MLFYDJOQIDVTQJ-UHFFFAOYSA-N 1 0 319.405 1.921 20 5 DDBDRO COc1ccc(C[N@H+](C)[C@H]2CCC(=O)N(C)C2)cc1[N+](=O)[O-] ZINC000563363915 421492871 /nfs/dbraw/zinc/49/28/71/421492871.db2.gz NABPMAOJBBGZCZ-LBPRGKRZSA-N 1 0 307.350 1.656 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H]1C[C@H](O)C1(C)C ZINC000517244870 421604618 /nfs/dbraw/zinc/60/46/18/421604618.db2.gz NKLUJUQDKSVKTC-RYUDHWBXSA-N 1 0 307.350 1.591 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000519704858 421718513 /nfs/dbraw/zinc/71/85/13/421718513.db2.gz QGDYGUPMFXWKHO-UHFFFAOYSA-N 1 0 319.361 1.947 20 5 DDBDRO O=C(C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)NCC1CC1 ZINC000580991454 421876671 /nfs/dbraw/zinc/87/66/71/421876671.db2.gz GWYONRVRHDTWNW-CHWSQXEVSA-N 1 0 321.381 1.391 20 5 DDBDRO CC(C)n1cc([C@@H](C)[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cn1 ZINC000544469408 421844949 /nfs/dbraw/zinc/84/49/49/421844949.db2.gz RTQZRYZBVFWPGC-RISCZKNCSA-N 1 0 322.369 1.280 20 5 DDBDRO Cc1c(CC(=O)N2C[C@H]3CC[N@@H+](C)[C@H]3C2)cccc1[N+](=O)[O-] ZINC000581768126 422042478 /nfs/dbraw/zinc/04/24/78/422042478.db2.gz HDXGPWWSONVRPA-HIFRSBDPSA-N 1 0 303.362 1.608 20 5 DDBDRO CC(C)Oc1nc(N[C@@H](C)[C@H]2CN(C)CCO2)ccc1[N+](=O)[O-] ZINC000594565852 422350680 /nfs/dbraw/zinc/35/06/80/422350680.db2.gz ISIVTQRRTQGGBC-WCQYABFASA-N 1 0 324.381 1.908 20 5 DDBDRO C[NH+](C)[C@@H](CNc1ccc(N)c([N+](=O)[O-])n1)c1cccc(F)c1 ZINC000590569354 422320767 /nfs/dbraw/zinc/32/07/67/422320767.db2.gz QMKIHCURTQINJH-ZDUSSCGKSA-N 1 0 319.340 2.426 20 5 DDBDRO O=[N+]([O-])c1cc2ccccc2nc1NCC[N@H+]1CC[C@H](O)C1 ZINC000599199476 422404935 /nfs/dbraw/zinc/40/49/35/422404935.db2.gz MBHXNIJWPBNIQC-LBPRGKRZSA-N 1 0 302.334 1.622 20 5 DDBDRO C[C@@H]1CCC[C@H](C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1C ZINC000578007164 422475594 /nfs/dbraw/zinc/47/55/94/422475594.db2.gz BQIVVCNEMAENCK-BHPKHCPMSA-N 1 0 310.398 1.814 20 5 DDBDRO Cn1cc(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])cn1 ZINC000578381962 422558449 /nfs/dbraw/zinc/55/84/49/422558449.db2.gz WOARHHOFRQZDCP-UHFFFAOYSA-N 1 0 303.322 1.447 20 5 DDBDRO O=[N+]([O-])c1cnc(N2CCC(C[NH+]3CCOCC3)CC2)c(F)c1 ZINC000578725044 422631578 /nfs/dbraw/zinc/63/15/78/422631578.db2.gz YSFFXAKARJCQAN-UHFFFAOYSA-N 1 0 324.356 1.678 20 5 DDBDRO CCOc1cc(NCC[NH+]2CCC(O)CC2)ccc1[N+](=O)[O-] ZINC000321133879 271027110 /nfs/dbraw/zinc/02/71/10/271027110.db2.gz DQUALRCSUQGLHI-UHFFFAOYSA-N 1 0 309.366 1.862 20 5 DDBDRO COCC[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)(C)C ZINC000338377400 271042935 /nfs/dbraw/zinc/04/29/35/271042935.db2.gz IJUIUJWDYIFOFR-OLZOCXBDSA-N 1 0 314.386 1.193 20 5 DDBDRO CN1CC[NH+](CC2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1 ZINC000344412921 272018548 /nfs/dbraw/zinc/01/85/48/272018548.db2.gz FFAPKUXCYXITIL-UHFFFAOYSA-N 1 0 319.409 1.454 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)n1 ZINC000344738695 272104987 /nfs/dbraw/zinc/10/49/87/272104987.db2.gz ZSXYMHLSRLKIHT-GFCCVEGCSA-N 1 0 323.397 1.661 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@H](C)C[NH+](C)C)c1C ZINC000344909393 272138652 /nfs/dbraw/zinc/13/86/52/272138652.db2.gz VAMNDZZHIAQTOG-SNVBAGLBSA-N 1 0 315.395 1.440 20 5 DDBDRO CO[C@@H]1CCC[C@H]1[NH2+]CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000451630418 274063348 /nfs/dbraw/zinc/06/33/48/274063348.db2.gz JJFHOJHWCXMXGI-DGCLKSJQSA-N 1 0 307.350 1.999 20 5 DDBDRO CC[NH+]1CCN([C@@H]2CCN(c3ncc([N+](=O)[O-])s3)C2)CC1 ZINC000192451922 276199134 /nfs/dbraw/zinc/19/91/34/276199134.db2.gz DNVLLAIVPWHWKA-LLVKDONJSA-N 1 0 311.411 1.268 20 5 DDBDRO CN1C(=O)CC[C@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1=O ZINC000424325323 277008316 /nfs/dbraw/zinc/00/83/16/277008316.db2.gz XRWOSOXSBPSKDX-KBPBESRZSA-N 1 0 317.345 1.709 20 5 DDBDRO C[N@@H+]1CCC[C@]2(CCN(CCn3cc([N+](=O)[O-])ccc3=O)C2)C1 ZINC000292976502 277086629 /nfs/dbraw/zinc/08/66/29/277086629.db2.gz MRKKWAMWTUDXML-INIZCTEOSA-N 1 0 320.393 1.174 20 5 DDBDRO C[NH2+][C@H]1CCCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000261858414 277300198 /nfs/dbraw/zinc/30/01/98/277300198.db2.gz YZEFSEOLEQEHHR-WFASDCNBSA-N 1 0 318.377 1.384 20 5 DDBDRO COC(=O)[C@H]1CN(c2ccc(F)cc2[N+](=O)[O-])CC[N@H+](C)C1 ZINC000413492092 277362799 /nfs/dbraw/zinc/36/27/99/277362799.db2.gz CBLBCJWBCQDFEQ-SNVBAGLBSA-N 1 0 311.313 1.275 20 5 DDBDRO CS[C@H]1CN(c2ncc([N+](=O)[O-])cn2)C[C@@H]1[NH+]1CCCC1 ZINC000275831718 278168550 /nfs/dbraw/zinc/16/85/50/278168550.db2.gz OFRMZEQPXRNZIC-RYUDHWBXSA-N 1 0 309.395 1.401 20 5 DDBDRO CCCNC(=O)C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447517674 278833774 /nfs/dbraw/zinc/83/37/74/278833774.db2.gz LWZUVJXAYLCMCZ-NWDGAFQWSA-N 1 0 309.370 1.391 20 5 DDBDRO C[C@H](C[NH3+])CNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000417982922 279287644 /nfs/dbraw/zinc/28/76/44/279287644.db2.gz DXQHSNDXWDBVCP-SECBINFHSA-N 1 0 314.773 1.685 20 5 DDBDRO C[C@H]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)C[C@@H]1C[NH3+] ZINC000424026818 279707624 /nfs/dbraw/zinc/70/76/24/279707624.db2.gz XTHIVTDVZYDOIL-IUCAKERBSA-N 1 0 310.329 1.373 20 5 DDBDRO C[C@@H]1CN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000157645770 288242526 /nfs/dbraw/zinc/24/25/26/288242526.db2.gz XRRXVRVZBCUBGY-SCZZXKLOSA-N 1 0 317.342 1.092 20 5 DDBDRO C[N@@H+]1C[C@@H]2CCCN(c3ccc(C(N)=O)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000425286672 290281243 /nfs/dbraw/zinc/28/12/43/290281243.db2.gz QQBFEXNCMQDKRZ-SMDDNHRTSA-N 1 0 304.350 1.224 20 5 DDBDRO CC[C@H]([NH3+])CNS(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC000572424812 304526192 /nfs/dbraw/zinc/52/61/92/304526192.db2.gz UIFYZKGROMPTLV-JTQLQIEISA-N 1 0 301.368 1.227 20 5 DDBDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000357918988 299019755 /nfs/dbraw/zinc/01/97/55/299019755.db2.gz ZKYZQTFJWIASOF-PHIMTYICSA-N 1 0 309.370 1.321 20 5 DDBDRO CC[N@H+](C)CCNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000362769779 300136225 /nfs/dbraw/zinc/13/62/25/300136225.db2.gz OBDAWTSCYFVTFJ-UHFFFAOYSA-N 1 0 301.293 1.483 20 5 DDBDRO C[C@@H]1CCN(C(=O)[C@H]2C[C@@H]2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000363124899 300215491 /nfs/dbraw/zinc/21/54/91/300215491.db2.gz DHMOEQNNMWIJQT-KBMXLJTQSA-N 1 0 317.389 1.775 20 5 DDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000363564388 300282978 /nfs/dbraw/zinc/28/29/78/300282978.db2.gz TXAHQHKEHIWWFB-ZIAGYGMSSA-N 1 0 303.362 1.880 20 5 DDBDRO [NH3+][C@H]1CCC[C@@]12CCN(C(=O)Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000364252113 300362782 /nfs/dbraw/zinc/36/27/82/300362782.db2.gz BZXUIFRXRZLRIK-HOCLYGCPSA-N 1 0 303.362 1.867 20 5 DDBDRO O=C1CC[C@@H]([NH2+]Cc2cc(F)ccc2[N+](=O)[O-])[C@H](C2CC2)N1 ZINC000367459657 300847845 /nfs/dbraw/zinc/84/78/45/300847845.db2.gz VHEYFMHOWMQAHX-DOMZBBRYSA-N 1 0 307.325 1.881 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CC2(C(F)(F)F)CC2)c1 ZINC000575117403 304715453 /nfs/dbraw/zinc/71/54/53/304715453.db2.gz MVENSUNBRYCKQB-VIFPVBQESA-N 1 0 308.260 1.084 20 5 DDBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC000375987109 302019132 /nfs/dbraw/zinc/01/91/32/302019132.db2.gz VUQFRSMUAVVUJE-HNNXBMFYSA-N 1 0 317.389 1.938 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000132303104 302045657 /nfs/dbraw/zinc/04/56/57/302045657.db2.gz UFKIHUNXBAAQRG-MNOVXSKESA-N 1 0 313.379 1.261 20 5 DDBDRO Nc1c(C(=O)N2CC[C@]3(CCC[C@@H]3[NH3+])C2)cccc1[N+](=O)[O-] ZINC000377189249 302154094 /nfs/dbraw/zinc/15/40/94/302154094.db2.gz ORRRCNHBRQOUAP-SWLSCSKDSA-N 1 0 304.350 1.521 20 5 DDBDRO O=C(Cc1ccccc1[N+](=O)[O-])NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000377475392 302182733 /nfs/dbraw/zinc/18/27/33/302182733.db2.gz MBRLWJCLNUGEMC-ZIAGYGMSSA-N 1 0 319.361 1.117 20 5 DDBDRO Cn1nc([N+](=O)[O-])cc1C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000356219936 306844468 /nfs/dbraw/zinc/84/44/68/306844468.db2.gz PQIKBIQXWGSQQM-LLVKDONJSA-N 1 0 311.386 1.425 20 5 DDBDRO C[C@@H](NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)[C@@H]1CCC[NH2+]C1 ZINC000516174798 302785383 /nfs/dbraw/zinc/78/53/83/302785383.db2.gz YAYOOUWAWYFBGC-NXEZZACHSA-N 1 0 321.333 1.441 20 5 DDBDRO O=C(NCCC[NH+]1CCCC1)NCc1cccc([N+](=O)[O-])c1 ZINC000522237928 302887073 /nfs/dbraw/zinc/88/70/73/302887073.db2.gz MRESKRKWWDRXQE-UHFFFAOYSA-N 1 0 306.366 1.880 20 5 DDBDRO C[C@@H](Nc1nccc(C(N)=O)c1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000357538443 306892492 /nfs/dbraw/zinc/89/24/92/306892492.db2.gz RKFVYWSQUFMCSM-SECBINFHSA-N 1 0 309.370 1.477 20 5 DDBDRO COc1ccc(CC(=O)N2CC[N@H+](C)[C@@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000536608801 303365536 /nfs/dbraw/zinc/36/55/36/303365536.db2.gz RRAFJVGRAVLPBN-RYUDHWBXSA-N 1 0 321.377 1.697 20 5 DDBDRO CS[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cn2C)C[C@H]1[NH+](C)C ZINC000537924111 303381360 /nfs/dbraw/zinc/38/13/60/303381360.db2.gz OXSAQPAMUYJVCA-VXGBXAGGSA-N 1 0 312.395 1.051 20 5 DDBDRO C[C@H](C(=O)NCCN1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000562393989 303860013 /nfs/dbraw/zinc/86/00/13/303860013.db2.gz XXTJDTDOGPLBHL-ZDUSSCGKSA-N 1 0 320.393 1.062 20 5 DDBDRO O=[N+]([O-])c1ccc(N[C@@H](CO)C[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000288874608 304803551 /nfs/dbraw/zinc/80/35/51/304803551.db2.gz GDRYBZNBXQGHPD-LLVKDONJSA-N 1 0 324.337 1.762 20 5 DDBDRO CN(CC(=O)N(C)[C@@H]1CCC[NH2+]CC1)c1ccccc1[N+](=O)[O-] ZINC000364646731 307049523 /nfs/dbraw/zinc/04/95/23/307049523.db2.gz MXWNXSAUQMUDDT-CYBMUJFWSA-N 1 0 320.393 1.632 20 5 DDBDRO C[C@H]1CN(CC[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)CCO1 ZINC000367255500 307089959 /nfs/dbraw/zinc/08/99/59/307089959.db2.gz XUOWVYTWYFJSNA-ZDUSSCGKSA-N 1 0 323.397 1.149 20 5 DDBDRO Cc1cc(N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)ccc1[N+](=O)[O-] ZINC000368532643 307104446 /nfs/dbraw/zinc/10/44/46/307104446.db2.gz JTZYGJSRWYPFPJ-CVEARBPZSA-N 1 0 305.378 1.939 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000371226361 307145427 /nfs/dbraw/zinc/14/54/27/307145427.db2.gz BCVMEZSAEJVXME-IUODEOHRSA-N 1 0 318.377 1.902 20 5 DDBDRO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000373798669 307195375 /nfs/dbraw/zinc/19/53/75/307195375.db2.gz SNAQHXUZKQFKST-XOUADPBQSA-N 1 0 315.373 1.795 20 5 DDBDRO Cc1cc([N+](=O)[O-])cnc1N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000374221002 307204238 /nfs/dbraw/zinc/20/42/38/307204238.db2.gz TYMFFXVXVZLTPF-CQSZACIVSA-N 1 0 319.409 1.514 20 5 DDBDRO Cc1cc(C(=O)N2CC[C@H]3CC[N@@H+](C)[C@H]3C2)c([N+](=O)[O-])c(=O)[nH]1 ZINC000376663594 307252359 /nfs/dbraw/zinc/25/23/59/307252359.db2.gz LJGVZJBHDXMSEJ-PWSUYJOCSA-N 1 0 320.349 1.170 20 5 DDBDRO O=C(/C=C\c1ccccc1[N+](=O)[O-])N1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC000404028016 307297471 /nfs/dbraw/zinc/29/74/71/307297471.db2.gz VWPZBNBDWDOQGL-BIWZVIQBSA-N 1 0 317.345 1.197 20 5 DDBDRO COc1cc(C(=O)N(C)CCC[NH+](C)C)c([N+](=O)[O-])cc1F ZINC000562703258 307941558 /nfs/dbraw/zinc/94/15/58/307941558.db2.gz DBOFTOSYUCFVFC-UHFFFAOYSA-N 1 0 313.329 1.766 20 5 DDBDRO COc1ccc(NC(=O)NCC2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000563490891 307971643 /nfs/dbraw/zinc/97/16/43/307971643.db2.gz YPWJKAKALGVUNO-UHFFFAOYSA-N 1 0 308.338 1.725 20 5 DDBDRO CO[C@](C)(C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000564445231 307997215 /nfs/dbraw/zinc/99/72/15/307997215.db2.gz AERXPTJTDXPLJO-GOEBONIOSA-N 1 0 324.377 1.739 20 5 DDBDRO C[C@@H]1CC[N@H+](CC(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)C1 ZINC000565959802 308039473 /nfs/dbraw/zinc/03/94/73/308039473.db2.gz TUVSDFDDUUNSQC-LLVKDONJSA-N 1 0 304.350 1.216 20 5 DDBDRO O=C(c1c[nH]nc1[N+](=O)[O-])N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000571263524 308192952 /nfs/dbraw/zinc/19/29/52/308192952.db2.gz FLZDGTPQOAMEIC-GXFFZTMASA-N 1 0 319.365 1.407 20 5 DDBDRO Cc1cc(S(=O)(=O)NC[C@@H]2CCC[NH2+]2)c(C)cc1[N+](=O)[O-] ZINC000572016886 308208778 /nfs/dbraw/zinc/20/87/78/308208778.db2.gz OSHSPCAZRYGKBG-NSHDSACASA-N 1 0 313.379 1.242 20 5 DDBDRO O=C(CNc1ccccc1[N+](=O)[O-])N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000573207932 308234140 /nfs/dbraw/zinc/23/41/40/308234140.db2.gz VTPBYPBRDCGLRB-INIZCTEOSA-N 1 0 318.377 1.609 20 5 DDBDRO CC1(CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC[NH2+]CC1 ZINC000575980966 308284308 /nfs/dbraw/zinc/28/43/08/308284308.db2.gz OFLMSGAFDTUDPG-UHFFFAOYSA-N 1 0 321.333 1.443 20 5 DDBDRO C[NH+](C)[C@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C[C@@H]1O ZINC000576477189 308317798 /nfs/dbraw/zinc/31/77/98/308317798.db2.gz CMMXAXMNTMXRPI-RYUDHWBXSA-N 1 0 319.317 1.088 20 5 DDBDRO Cc1cc(S(=O)(=O)NCCC[NH2+]C(C)C)ccc1[N+](=O)[O-] ZINC000576754389 308337378 /nfs/dbraw/zinc/33/73/78/308337378.db2.gz OXVDNAZCDFNLRT-UHFFFAOYSA-N 1 0 315.395 1.570 20 5 DDBDRO NC(=O)C1(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CCOCC1 ZINC000576956796 308352727 /nfs/dbraw/zinc/35/27/27/308352727.db2.gz GQSRTXLGURMEPP-ZDUSSCGKSA-N 1 0 319.361 1.454 20 5 DDBDRO COC(=O)c1cc(NC(=O)[C@H]2CC[NH2+][C@H]2C)cc([N+](=O)[O-])c1 ZINC000579110488 308507834 /nfs/dbraw/zinc/50/78/34/308507834.db2.gz WUDLWROMDKAALL-UFBFGSQYSA-N 1 0 307.306 1.318 20 5 DDBDRO C[C@H](NC(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1ccccc1[N+](=O)[O-] ZINC001120665855 782082382 /nfs/dbraw/zinc/08/23/82/782082382.db2.gz XLCDKERLPJXFDQ-YRRQLQLVSA-N 1 0 304.350 1.848 20 5 DDBDRO Cn1c(C(=O)Nc2cccc3c2CC[NH2+]C3)ccc1[N+](=O)[O-] ZINC000387924364 325767851 /nfs/dbraw/zinc/76/78/51/325767851.db2.gz YRHMHYOHYYKNAI-UHFFFAOYSA-N 1 0 300.318 1.831 20 5 DDBDRO CO[C@H](C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)C(C)C ZINC000581662072 325894431 /nfs/dbraw/zinc/89/44/31/325894431.db2.gz TWXFJXVDMINSKT-DZGCQCFKSA-N 1 0 312.366 1.595 20 5 DDBDRO C[C@H]1CC[N@H+](CC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000582676587 337120979 /nfs/dbraw/zinc/12/09/79/337120979.db2.gz ZSRNMHXSLDRRIA-JTQLQIEISA-N 1 0 317.349 1.429 20 5 DDBDRO C[NH+](C)CCN(CCn1cc([N+](=O)[O-])cn1)Cc1ccccn1 ZINC000583212296 337273233 /nfs/dbraw/zinc/27/32/33/337273233.db2.gz MLIPXHINHVIXHW-UHFFFAOYSA-N 1 0 318.381 1.250 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H](CO)[C@@H]1C ZINC000488801833 484219409 /nfs/dbraw/zinc/21/94/09/484219409.db2.gz NHVIXJIZBKDJLO-STQMWFEESA-N 1 0 321.377 1.935 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@H](C)[NH+](C)C ZINC000451924352 500985409 /nfs/dbraw/zinc/98/54/09/500985409.db2.gz DEUFBMNXHUIMMF-JTQLQIEISA-N 1 0 301.368 1.132 20 5 DDBDRO O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)c1ccc([N+](=O)[O-])cn1 ZINC000517484685 501057517 /nfs/dbraw/zinc/05/75/17/501057517.db2.gz VGKKCMJFIPZISG-GFCCVEGCSA-N 1 0 304.350 1.737 20 5 DDBDRO C[C@@H](C[NH+](C)C)NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000488503636 533727535 /nfs/dbraw/zinc/72/75/35/533727535.db2.gz KHFXJOFXWJRXJY-QMMMGPOBSA-N 1 0 301.293 1.482 20 5 DDBDRO COc1cc(C[N@H+](C)[C@H]2CCN3CCO[C@H]2C3)ccc1[N+](=O)[O-] ZINC000451136256 533794733 /nfs/dbraw/zinc/79/47/33/533794733.db2.gz FIZQDMPEAORWIN-BBRMVZONSA-N 1 0 321.377 1.508 20 5 DDBDRO Cc1c(CNC(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000418077935 533855719 /nfs/dbraw/zinc/85/57/19/533855719.db2.gz IRJWUUFPGVUJRA-KGLIPLIRSA-N 1 0 318.377 1.654 20 5 DDBDRO Cc1c(CNC(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000418077937 533856079 /nfs/dbraw/zinc/85/60/79/533856079.db2.gz IRJWUUFPGVUJRA-ZIAGYGMSSA-N 1 0 318.377 1.654 20 5 DDBDRO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])n2C)CC[N@@H+](C2CC2)C1 ZINC000452171275 533877638 /nfs/dbraw/zinc/87/76/38/533877638.db2.gz POLDLVLVTKBHCP-LLVKDONJSA-N 1 0 306.366 1.490 20 5 DDBDRO COc1ccc(NC(=O)C[NH2+][C@@H]2COCC2(C)C)c([N+](=O)[O-])c1 ZINC000451814264 534082016 /nfs/dbraw/zinc/08/20/16/534082016.db2.gz WWIRDDFPHAYUKQ-CYBMUJFWSA-N 1 0 323.349 1.557 20 5 DDBDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000418576997 534092871 /nfs/dbraw/zinc/09/28/71/534092871.db2.gz OQKYRMKHEUPKNQ-DGCLKSJQSA-N 1 0 306.366 1.734 20 5 DDBDRO Cc1ccc(S(=O)(=O)NC[C@H](C)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000451940401 534210250 /nfs/dbraw/zinc/21/02/50/534210250.db2.gz XXZLMOYZWMUISW-JTQLQIEISA-N 1 0 301.368 1.132 20 5 DDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCN(C)C(=O)C1 ZINC000424330981 534254268 /nfs/dbraw/zinc/25/42/68/534254268.db2.gz SLDOMURDOGYUMB-STQMWFEESA-N 1 0 305.378 1.984 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H]1CCOC1(C)C ZINC000451241625 534339131 /nfs/dbraw/zinc/33/91/31/534339131.db2.gz JWHGHHALQAERNX-CYBMUJFWSA-N 1 0 307.350 1.999 20 5 DDBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000417226045 534462503 /nfs/dbraw/zinc/46/25/03/534462503.db2.gz KDJQIXFPILINDN-KBPBESRZSA-N 1 0 318.377 1.388 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000292834270 534627626 /nfs/dbraw/zinc/62/76/26/534627626.db2.gz BSQJNIRPVKXCQA-FZMZJTMJSA-N 1 0 305.334 1.184 20 5 DDBDRO C[C@H]1CN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])[C@@H](C)C[NH2+]1 ZINC000156194020 524657635 /nfs/dbraw/zinc/65/76/35/524657635.db2.gz IMBPRTGYELLMQG-IUCAKERBSA-N 1 0 317.342 1.105 20 5 DDBDRO CC(=O)N(C)C1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000299443473 526461984 /nfs/dbraw/zinc/46/19/84/526461984.db2.gz LTEPWFJPECCCNI-UHFFFAOYSA-N 1 0 321.377 1.916 20 5 DDBDRO CC1(C)[NH2+]CC[C@@H]1NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000449751450 527791412 /nfs/dbraw/zinc/79/14/12/527791412.db2.gz YOZZTMYXHXBQGB-LBPRGKRZSA-N 1 0 309.391 1.944 20 5 DDBDRO CC1(C)[C@H]([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)[C@H]2CCCO[C@H]21 ZINC000451475145 527870279 /nfs/dbraw/zinc/87/02/79/527870279.db2.gz BTTURNWTMUYMJM-BPLDGKMQSA-N 1 0 321.377 1.550 20 5 DDBDRO CCO[C@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C[C@H]1C ZINC000451522229 528061410 /nfs/dbraw/zinc/06/14/10/528061410.db2.gz AWNKHJSKUMDDHU-OCCSQVGLSA-N 1 0 309.366 1.503 20 5 DDBDRO CC(C)[C@@H]([NH3+])C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000292608669 528499275 /nfs/dbraw/zinc/49/92/75/528499275.db2.gz XFUZCBHTHLWSFW-CYBMUJFWSA-N 1 0 303.322 1.907 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000424027901 528691838 /nfs/dbraw/zinc/69/18/38/528691838.db2.gz WPYWHLAUKXNGMZ-LLVKDONJSA-N 1 0 323.349 1.183 20 5 DDBDRO CC[NH+](CC)CCO[C@H]1CCN(Cn2nccc2[N+](=O)[O-])C1 ZINC000747469644 700072170 /nfs/dbraw/zinc/07/21/70/700072170.db2.gz HGAODVRTTJWILL-ZDUSSCGKSA-N 1 0 311.386 1.182 20 5 DDBDRO Cc1cccc(C[NH+]2CCN(Cn3nccc3[N+](=O)[O-])CC2)c1 ZINC000054429151 696275961 /nfs/dbraw/zinc/27/59/61/696275961.db2.gz INRJYRFDBBUGNV-UHFFFAOYSA-N 1 0 315.377 1.875 20 5 DDBDRO CCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000071312922 696391749 /nfs/dbraw/zinc/39/17/49/696391749.db2.gz BHZUOPBZPXMFRR-LLVKDONJSA-N 1 0 313.379 1.276 20 5 DDBDRO CC[N@H+](CCC(=O)OC)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000151977087 696893316 /nfs/dbraw/zinc/89/33/16/696893316.db2.gz UABXLJLYLCNYEC-UHFFFAOYSA-N 1 0 306.322 1.787 20 5 DDBDRO C[C@@H]1CN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)C[C@@H](C)[NH2+]1 ZINC000153814437 696921965 /nfs/dbraw/zinc/92/19/65/696921965.db2.gz WCCNQQGUNQKLSF-NXEZZACHSA-N 1 0 311.313 1.322 20 5 DDBDRO C[C@@H]1C[C@H](NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC[NH2+]1 ZINC000235373962 697793466 /nfs/dbraw/zinc/79/34/66/697793466.db2.gz JFFYUFIRNHYFPD-RKDXNWHRSA-N 1 0 317.342 1.153 20 5 DDBDRO COC1(CO)CC[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000773945803 697825831 /nfs/dbraw/zinc/82/58/31/697825831.db2.gz PDBHOBGLJAASJC-AWEZNQCLSA-N 1 0 310.350 1.102 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC12CC[NH+](C)CC2 ZINC000776507387 698111727 /nfs/dbraw/zinc/11/17/27/698111727.db2.gz NKGRKGDYGOCWJZ-UHFFFAOYSA-N 1 0 304.350 1.609 20 5 DDBDRO CS[C@H](CO)[C@@H](C)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000300703298 698600445 /nfs/dbraw/zinc/60/04/45/698600445.db2.gz KCQHQEFHDMJXOP-JIMOISOXSA-N 1 0 300.380 1.330 20 5 DDBDRO C[NH+](C)C1CN(C(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000782029591 698676256 /nfs/dbraw/zinc/67/62/56/698676256.db2.gz VSHDLGBGZHVGMV-UHFFFAOYSA-N 1 0 322.321 1.208 20 5 DDBDRO O=[N+]([O-])c1nn(C[C@H]2CCCC[NH2+]C2)cc1Br ZINC000700307475 699221111 /nfs/dbraw/zinc/22/11/11/699221111.db2.gz XBFAPZIKZBVSHJ-QMMMGPOBSA-N 1 0 303.160 1.944 20 5 DDBDRO C[C@H]([NH2+]C[C@H](O)COCC1CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788586197 699325647 /nfs/dbraw/zinc/32/56/47/699325647.db2.gz ZDCJAZMNEYVXJA-GWCFXTLKSA-N 1 0 309.366 1.615 20 5 DDBDRO O=C(C[NH+]1CCCC1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000728569152 699449506 /nfs/dbraw/zinc/44/95/06/699449506.db2.gz NRJARWNWHRFNQC-UHFFFAOYSA-N 1 0 318.377 1.339 20 5 DDBDRO COc1ccc(C(=O)N[C@@H](C[NH+](C)C)C(C)C)cc1[N+](=O)[O-] ZINC000733168013 699581834 /nfs/dbraw/zinc/58/18/34/699581834.db2.gz QFAYVBIPTSIBLW-LBPRGKRZSA-N 1 0 309.366 1.919 20 5 DDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000733300518 699587598 /nfs/dbraw/zinc/58/75/98/699587598.db2.gz VDHBDIQNBZKEGE-GFCCVEGCSA-N 1 0 320.393 1.921 20 5 DDBDRO COC[C@H]1CC[N@H+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000739873057 699781621 /nfs/dbraw/zinc/78/16/21/699781621.db2.gz ROSULBUHVMKFBW-LBPRGKRZSA-N 1 0 317.349 1.779 20 5 DDBDRO C[C@@]1(C(N)=O)CC[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000794709145 699826012 /nfs/dbraw/zinc/82/60/12/699826012.db2.gz CQBLKGSHFSOTSU-CQSZACIVSA-N 1 0 303.322 1.099 20 5 DDBDRO CC[NH+](CC)C[C@H](C)NC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000801897053 700351116 /nfs/dbraw/zinc/35/11/16/700351116.db2.gz CXSRUFVTRIYPAZ-VIFPVBQESA-N 1 0 312.345 1.776 20 5 DDBDRO [NH3+]CCN(Cc1cnc2cnccn12)c1ccc([N+](=O)[O-])cc1 ZINC000809735222 701684201 /nfs/dbraw/zinc/68/42/01/701684201.db2.gz WAOJSBKNZLOENO-UHFFFAOYSA-N 1 0 312.333 1.603 20 5 DDBDRO COC[C@](C)(O)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000765939264 701030619 /nfs/dbraw/zinc/03/06/19/701030619.db2.gz SDKHBUKSGRAWCH-MRXNPFEDSA-N 1 0 323.393 1.551 20 5 DDBDRO CN(CCCC[NH+](C)C)S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768846100 701209294 /nfs/dbraw/zinc/20/92/94/701209294.db2.gz IMEPKMVXWNFVQN-UHFFFAOYSA-N 1 0 321.424 1.619 20 5 DDBDRO C[NH+]1CC2(C1)CCN(C(=O)c1cc([N+](=O)[O-])c(F)cc1N)C2 ZINC000807934551 701491507 /nfs/dbraw/zinc/49/15/07/701491507.db2.gz HKHORPDQCJGNQT-UHFFFAOYSA-N 1 0 308.313 1.094 20 5 DDBDRO C[NH+](C)CCN(Cc1ccccc1F)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839708648 701792017 /nfs/dbraw/zinc/79/20/17/701792017.db2.gz YMYZZWDXLJFJKW-TZMCWYRMSA-N 1 0 309.341 1.381 20 5 DDBDRO C[C@@]1(NC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CC[NH2+]C1 ZINC000831055890 706627695 /nfs/dbraw/zinc/62/76/95/706627695.db2.gz QKXHWOBZSGOPLU-CYBMUJFWSA-N 1 0 312.757 1.799 20 5 DDBDRO CCCc1n[nH]c(C(=O)N2C[C@@H]3CC[N@H+](C)C[C@@H]3C2)c1[N+](=O)[O-] ZINC000812339546 702163598 /nfs/dbraw/zinc/16/35/98/702163598.db2.gz UUBUCAWYJRMZIJ-WDEREUQCSA-N 1 0 321.381 1.294 20 5 DDBDRO COCCOCC[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866242449 706657057 /nfs/dbraw/zinc/65/70/57/706657057.db2.gz LVJGMTSHHNLCRT-NSHDSACASA-N 1 0 300.330 1.918 20 5 DDBDRO COC[C@H](CCO)[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866270905 706662203 /nfs/dbraw/zinc/66/22/03/706662203.db2.gz XQPXEKTVFZQWTH-GWCFXTLKSA-N 1 0 300.330 1.652 20 5 DDBDRO O=[N+]([O-])c1ccc(OS(=O)(=O)CCC[NH+]2CCCC2)cc1 ZINC000866375722 706684406 /nfs/dbraw/zinc/68/44/06/706684406.db2.gz YTVINRLUPLDHGF-UHFFFAOYSA-N 1 0 314.363 1.789 20 5 DDBDRO C[C@@H](CC[NH3+])NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000842789575 702773997 /nfs/dbraw/zinc/77/39/97/702773997.db2.gz AGKKJICTJZHYRG-ZETCQYMHSA-N 1 0 307.759 1.264 20 5 DDBDRO Cc1cc(OS(=O)(=O)CCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000866427981 706696685 /nfs/dbraw/zinc/69/66/85/706696685.db2.gz YNHVYGQSEXSNNV-UHFFFAOYSA-N 1 0 302.352 1.564 20 5 DDBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N[C@@H]1CCC[NH2+]C1 ZINC000843304514 702856820 /nfs/dbraw/zinc/85/68/20/702856820.db2.gz JXVRWUVSCITCIB-SECBINFHSA-N 1 0 315.732 1.798 20 5 DDBDRO Cc1cc(F)cc(C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)c1[N+](=O)[O-] ZINC000843482410 702890702 /nfs/dbraw/zinc/89/07/02/702890702.db2.gz WMUCZRDYTPPCLN-GWCFXTLKSA-N 1 0 307.325 1.866 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3COCC[C@H]3O)CC2)cc1 ZINC000866497781 706714086 /nfs/dbraw/zinc/71/40/86/706714086.db2.gz LSNJUVQQTBSVJN-HZPDHXFCSA-N 1 0 321.377 1.303 20 5 DDBDRO CC1(C)C[C@H](O)C[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000879614942 706738749 /nfs/dbraw/zinc/73/87/49/706738749.db2.gz CKUFJPJTQLUXPA-UONOGXRCSA-N 1 0 324.377 1.427 20 5 DDBDRO C[N@@H+]1CC[C@H](CCOC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000847827862 703474106 /nfs/dbraw/zinc/47/41/06/703474106.db2.gz YYYSGYPKYILLSW-LLVKDONJSA-N 1 0 310.354 1.411 20 5 DDBDRO O=C1O[C@H](C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CN1C1CC1 ZINC000848677637 703574710 /nfs/dbraw/zinc/57/47/10/703574710.db2.gz FHLIKWFNDDRVCR-KGLIPLIRSA-N 1 0 321.333 1.201 20 5 DDBDRO C[C@@H]1CN(C(=[NH2+])NCCNc2ccccc2[N+](=O)[O-])CCO1 ZINC000848982769 703606386 /nfs/dbraw/zinc/60/63/86/703606386.db2.gz OECSIFNJTWXJSZ-LLVKDONJSA-N 1 0 307.354 1.252 20 5 DDBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000869801139 703854804 /nfs/dbraw/zinc/85/48/04/703854804.db2.gz FGDYLNBIFMJXDH-ARLBYUKCSA-N 1 0 317.389 1.536 20 5 DDBDRO CC(C)[N@H+](C)C[C@H](O)CN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000851869837 703874620 /nfs/dbraw/zinc/87/46/20/703874620.db2.gz SOEMWIHKIKLJLD-AWEZNQCLSA-N 1 0 307.394 1.654 20 5 DDBDRO CO[C@@H]1CC[C@@H]([NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)C1 ZINC000852151076 703945810 /nfs/dbraw/zinc/94/58/10/703945810.db2.gz CXCMERGIFRHUHL-CHWSQXEVSA-N 1 0 306.366 1.679 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)CNC[C@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000818986352 704043579 /nfs/dbraw/zinc/04/35/79/704043579.db2.gz MDRQUWGJTPBOFQ-HRCADAONSA-N 1 0 321.377 1.081 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C/C=C/c2ccccc2)c1 ZINC000819061983 704063719 /nfs/dbraw/zinc/06/37/19/704063719.db2.gz ZKHNITIHPAKLPW-SZTZYQKNSA-N 1 0 302.334 1.455 20 5 DDBDRO Cc1nccnc1CC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819335113 704108907 /nfs/dbraw/zinc/10/89/07/704108907.db2.gz RQBLJAFICAJERJ-OAHLLOKOSA-N 1 0 302.334 1.559 20 5 DDBDRO [NH3+]CC12CC(C1)CN2CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000852755749 704115640 /nfs/dbraw/zinc/11/56/40/704115640.db2.gz DBBIMJMLMRSQEW-UHFFFAOYSA-N 1 0 322.340 1.486 20 5 DDBDRO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cc(F)cc([N+](=O)[O-])c1 ZINC000870975431 704187741 /nfs/dbraw/zinc/18/77/41/704187741.db2.gz UDIUQTKGLUYLBX-YSCVYTRNSA-N 1 0 307.325 1.994 20 5 DDBDRO Nc1ccc(N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c([N+](=O)[O-])c1 ZINC000853964789 704341426 /nfs/dbraw/zinc/34/14/26/704341426.db2.gz APXVDNZTLNQIOM-CYBMUJFWSA-N 1 0 306.366 1.212 20 5 DDBDRO C[C@@H](CCNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1)[NH+](C)C ZINC000855414628 704484377 /nfs/dbraw/zinc/48/43/77/704484377.db2.gz AHKNDTBVILSUMC-QMMMGPOBSA-N 1 0 323.378 1.670 20 5 DDBDRO CCC[NH2+]CCNC(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857764118 704621754 /nfs/dbraw/zinc/62/17/54/704621754.db2.gz IHWXHIGYQVOOEG-UHFFFAOYSA-N 1 0 317.292 1.682 20 5 DDBDRO C[C@@H](C[NH3+])N(C)C(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857766294 704622514 /nfs/dbraw/zinc/62/25/14/704622514.db2.gz ZWQOUAHCFWZRPM-QMMMGPOBSA-N 1 0 303.265 1.372 20 5 DDBDRO Cc1cc(C(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)c(N)c([N+](=O)[O-])c1 ZINC000832497974 706926708 /nfs/dbraw/zinc/92/67/08/706926708.db2.gz QSBHHMUPBZTZEM-GHMZBOCLSA-N 1 0 306.366 1.603 20 5 DDBDRO C[C@@H]([NH2+][C@@H]1CCN(C2CCC2)C1=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000858603912 704733639 /nfs/dbraw/zinc/73/36/39/704733639.db2.gz XTJLJHHRFBFHBY-QMTHXVAHSA-N 1 0 318.377 1.981 20 5 DDBDRO C[NH2+]CCOCCNC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000859686919 704973730 /nfs/dbraw/zinc/97/37/30/704973730.db2.gz XTKOZHCRHPPXFB-UHFFFAOYSA-N 1 0 316.745 1.606 20 5 DDBDRO O=[N+]([O-])c1ccccc1NCCc1noc(C[C@H]2CC[NH2+]C2)n1 ZINC000822791848 705040902 /nfs/dbraw/zinc/04/09/02/705040902.db2.gz XHDIXYQEEYEBOZ-LLVKDONJSA-N 1 0 317.349 1.784 20 5 DDBDRO C[C@H]([NH3+])CCc1nc(CCNc2ccccc2[N+](=O)[O-])no1 ZINC000822790829 705041187 /nfs/dbraw/zinc/04/11/87/705041187.db2.gz MTIBOUWABSYNAF-JTQLQIEISA-N 1 0 305.338 1.912 20 5 DDBDRO COc1cccc(C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3C)c1[N+](=O)[O-] ZINC000874827846 705185860 /nfs/dbraw/zinc/18/58/60/705185860.db2.gz DULZTCRMSKXMSF-QWHCGFSZSA-N 1 0 319.361 1.912 20 5 DDBDRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000874846915 705201543 /nfs/dbraw/zinc/20/15/43/705201543.db2.gz LNBKUOHJJLRLNO-GJZGRUSLSA-N 1 0 319.361 1.669 20 5 DDBDRO CO[C@@H]1C[N@H+](C)[C@](C)(COC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000861339491 705433298 /nfs/dbraw/zinc/43/32/98/705433298.db2.gz CDWSWBMNCLSUOB-NHYWBVRUSA-N 1 0 308.334 1.861 20 5 DDBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000861911836 705601759 /nfs/dbraw/zinc/60/17/59/705601759.db2.gz FCVMUYJTTUVHHP-MSRIBSCDSA-N 1 0 307.325 1.674 20 5 DDBDRO C[NH+](C)[C@@H](CNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000825364000 705654771 /nfs/dbraw/zinc/65/47/71/705654771.db2.gz LQOAIOUASJMVEX-KBPBESRZSA-N 1 0 307.350 1.085 20 5 DDBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876658486 705806159 /nfs/dbraw/zinc/80/61/59/705806159.db2.gz XKCJSPNVUVRWDQ-GXFFZTMASA-N 1 0 311.313 1.037 20 5 DDBDRO CN1CCOC[C@H]1CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000862971107 705839954 /nfs/dbraw/zinc/83/99/54/705839954.db2.gz JFWMNJUMJPFCML-BTKRWWFXSA-N 1 0 305.334 1.055 20 5 DDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000863032405 705852464 /nfs/dbraw/zinc/85/24/64/705852464.db2.gz ODUKBJYEQVPWBM-CYBMUJFWSA-N 1 0 318.377 1.924 20 5 DDBDRO CCN(CC[NH3+])CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000863551413 705955316 /nfs/dbraw/zinc/95/53/16/705955316.db2.gz LFLCQWXANYKICM-UHFFFAOYSA-N 1 0 300.746 1.467 20 5 DDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@@H](O)Cc3ccccc3)C2)c1 ZINC000877014481 705959211 /nfs/dbraw/zinc/95/92/11/705959211.db2.gz CFWULSVWHLPFBF-XUJLQICISA-N 1 0 316.361 1.688 20 5 DDBDRO C[C@@](O)(C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC000877039222 705968413 /nfs/dbraw/zinc/96/84/13/705968413.db2.gz BTVJYMMXNMXFOV-ZBCRRDGASA-N 1 0 316.361 1.992 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3c(N)cccc3[N+](=O)[O-])CC[C@@H]21 ZINC000827290329 705969640 /nfs/dbraw/zinc/96/96/40/705969640.db2.gz SWEQCZYCCNCYMZ-PWSUYJOCSA-N 1 0 304.350 1.343 20 5 DDBDRO C[N@@H+]1CC[C@H]2CN(C(=O)Cc3cccc([N+](=O)[O-])c3)CC[C@H]21 ZINC000827310038 705972711 /nfs/dbraw/zinc/97/27/11/705972711.db2.gz JJKDZNCTCYJWRH-DZGCQCFKSA-N 1 0 303.362 1.690 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc([N+](=O)[O-])c3N)CC[C@H]21 ZINC000827313255 705973396 /nfs/dbraw/zinc/97/33/96/705973396.db2.gz YVPSQBRDAZHKJP-ZYHUDNBSSA-N 1 0 304.350 1.343 20 5 DDBDRO C[N@@H+]1CC[C@H]2CN(C(=O)c3ccc(N)c([N+](=O)[O-])c3)CC[C@@H]21 ZINC000827371929 705988269 /nfs/dbraw/zinc/98/82/69/705988269.db2.gz BELWJINKVDYOSD-AAEUAGOBSA-N 1 0 304.350 1.343 20 5 DDBDRO CC[N@@H+]1CCN(c2ccc(CC(=O)OC)cc2[N+](=O)[O-])C[C@@H]1C ZINC000827808259 706070004 /nfs/dbraw/zinc/07/00/04/706070004.db2.gz XULJHHRWXLKRDA-LBPRGKRZSA-N 1 0 321.377 1.841 20 5 DDBDRO COc1cc(C(=O)N[C@@]23CCC[C@@H]2[NH2+]CC3)cc([N+](=O)[O-])c1C ZINC000877388899 706091708 /nfs/dbraw/zinc/09/17/08/706091708.db2.gz HHMLNGJKRSJVOW-GOEBONIOSA-N 1 0 319.361 1.926 20 5 DDBDRO O=C(NC12CC[NH+](CC1)C2)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000828009392 706103040 /nfs/dbraw/zinc/10/30/40/706103040.db2.gz FQSHMXAJEULYLK-UONOGXRCSA-N 1 0 301.346 1.663 20 5 DDBDRO CO[C@H](CN(CC[NH3+])c1ccc([N+](=O)[O-])cc1)[C@@H]1CCOC1 ZINC000877521755 706130994 /nfs/dbraw/zinc/13/09/94/706130994.db2.gz CILPIXAUGNUVQJ-IUODEOHRSA-N 1 0 309.366 1.411 20 5 DDBDRO CC(C)(C)N1CC[C@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C1=O ZINC000877603446 706156368 /nfs/dbraw/zinc/15/63/68/706156368.db2.gz NIMSIKYHQSXAAP-XIVSLSHWSA-N 1 0 321.381 1.484 20 5 DDBDRO C[C@H](C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)CC1(C)OCCO1 ZINC000877670446 706175686 /nfs/dbraw/zinc/17/56/86/706175686.db2.gz QLJYRQJTACUBLO-HIFPTAJRSA-N 1 0 324.381 1.874 20 5 DDBDRO CCN(CC[NH3+])C(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000864614513 706213670 /nfs/dbraw/zinc/21/36/70/706213670.db2.gz DNMFZTWBPNHQDD-UHFFFAOYSA-N 1 0 303.265 1.374 20 5 DDBDRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000864616390 706214102 /nfs/dbraw/zinc/21/41/02/706214102.db2.gz JBMHSIPMBVAIQA-GZMMTYOYSA-N 1 0 315.276 1.433 20 5 DDBDRO O=C(Cc1cccc(F)c1[N+](=O)[O-])N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000865006260 706324083 /nfs/dbraw/zinc/32/40/83/706324083.db2.gz HGPWXLSHZCGZIP-NSHDSACASA-N 1 0 307.325 1.629 20 5 DDBDRO O=C(Cc1cccc(F)c1[N+](=O)[O-])N1CC[C@H]([NH+]2CCCC2)C1 ZINC000865126654 706357847 /nfs/dbraw/zinc/35/78/47/706357847.db2.gz YQLYBJQNXBLCIP-ZDUSSCGKSA-N 1 0 321.352 1.973 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](CCO)c1cccs1 ZINC000878409311 706379932 /nfs/dbraw/zinc/37/99/32/706379932.db2.gz JDAYIIOQCMSLCL-NSHDSACASA-N 1 0 310.379 1.875 20 5 DDBDRO C[C@@H]1C(=O)N(C)[C@H](C)[C@H](C)N1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000878752273 706488677 /nfs/dbraw/zinc/48/86/77/706488677.db2.gz KKMOKANWXVFEFM-NWJSVONSSA-N 1 0 321.377 1.568 20 5 DDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)s1 ZINC000866828342 706817325 /nfs/dbraw/zinc/81/73/25/706817325.db2.gz WESPMYYDWYDSMO-RKDXNWHRSA-N 1 0 317.392 1.171 20 5 DDBDRO O=[N+]([O-])c1ccc(OCCC[NH+]2CCC(CO)(CO)CC2)cc1 ZINC000879967981 706837501 /nfs/dbraw/zinc/83/75/01/706837501.db2.gz HQFNSRQVHXYKEW-UHFFFAOYSA-N 1 0 324.377 1.431 20 5 DDBDRO CC[NH2+]CCCNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000832377816 706900485 /nfs/dbraw/zinc/90/04/85/706900485.db2.gz HTBCYHPXYQSOEF-UHFFFAOYSA-N 1 0 305.338 1.060 20 5 DDBDRO C[N@H+]1CC=C(CNC(=O)Cc2cccc(F)c2[N+](=O)[O-])CC1 ZINC000867229990 706932111 /nfs/dbraw/zinc/93/21/11/706932111.db2.gz NACAKDMVFNQYFS-UHFFFAOYSA-N 1 0 307.325 1.655 20 5 DDBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000832845579 706996038 /nfs/dbraw/zinc/99/60/38/706996038.db2.gz PCUXPUDCXYGGFE-SWLSCSKDSA-N 1 0 323.393 1.865 20 5 DDBDRO CCO[C@H](CN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)C[NH+](C)C ZINC000926964186 712923191 /nfs/dbraw/zinc/92/31/91/712923191.db2.gz WKIYALGJDGAGJN-WCQYABFASA-N 1 0 310.398 1.794 20 5 DDBDRO C[C@@H]([NH2+]C[C@@H](O)c1cnn(C)c1)c1c(F)cccc1[N+](=O)[O-] ZINC000872039688 707284125 /nfs/dbraw/zinc/28/41/25/707284125.db2.gz UFKMKYKHPJEMKM-NOZJJQNGSA-N 1 0 308.313 1.852 20 5 DDBDRO COC[C@H](CO)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872068678 707287033 /nfs/dbraw/zinc/28/70/33/707287033.db2.gz HUQPWHXSZSFIDX-UWVGGRQHSA-N 1 0 300.380 1.975 20 5 DDBDRO COC[C@@H](CO)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872068674 707287069 /nfs/dbraw/zinc/28/70/69/707287069.db2.gz HUQPWHXSZSFIDX-NXEZZACHSA-N 1 0 300.380 1.975 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]Cc1ccnc(F)c1 ZINC000872223784 707336274 /nfs/dbraw/zinc/33/62/74/707336274.db2.gz XVGSCDXCBJIIFC-GFCCVEGCSA-N 1 0 321.308 1.658 20 5 DDBDRO C[NH+](C)[C@@]1(CNc2ccnc(F)c2[N+](=O)[O-])CCSC1 ZINC000882050870 707479088 /nfs/dbraw/zinc/47/90/88/707479088.db2.gz BWYHJUZXGGOBPT-GFCCVEGCSA-N 1 0 300.359 1.978 20 5 DDBDRO Cc1nn(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)c2cc([N+](=O)[O-])ccc12 ZINC000872786021 707601119 /nfs/dbraw/zinc/60/11/19/707601119.db2.gz OGCUDETWFYVXHY-TXEJJXNPSA-N 1 0 302.334 1.789 20 5 DDBDRO C[NH+](C)CCC[C@H]1CN(c2ccnc(F)c2[N+](=O)[O-])CCO1 ZINC000882639232 707727885 /nfs/dbraw/zinc/72/78/85/707727885.db2.gz ASRYYOFMQYUHEU-NSHDSACASA-N 1 0 312.345 1.676 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCS(=O)(=O)C1CC1 ZINC000873132166 707743125 /nfs/dbraw/zinc/74/31/25/707743125.db2.gz KASUOCOPDGWYNX-UHFFFAOYSA-N 1 0 312.391 1.878 20 5 DDBDRO Cc1c(C[NH2+]C[C@]2(OCCO)CCOC2)cccc1[N+](=O)[O-] ZINC000873135365 707744763 /nfs/dbraw/zinc/74/47/63/707744763.db2.gz IAUZSPKDFHLKQT-OAHLLOKOSA-N 1 0 310.350 1.161 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000873297849 707803058 /nfs/dbraw/zinc/80/30/58/707803058.db2.gz BWDHBODCXOYBHB-STQMWFEESA-N 1 0 303.362 1.893 20 5 DDBDRO C[N@@H+]1CCC[C@H](CCNC(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000838144212 707853860 /nfs/dbraw/zinc/85/38/60/707853860.db2.gz LGJXOXWFPNVIKJ-LLVKDONJSA-N 1 0 306.366 1.639 20 5 DDBDRO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839463510 708049454 /nfs/dbraw/zinc/04/94/54/708049454.db2.gz IOWFRQCHDKBTCD-JHJVBQTASA-N 1 0 307.350 1.588 20 5 DDBDRO Cc1cccc(N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)c1[N+](=O)[O-] ZINC000897220929 708258704 /nfs/dbraw/zinc/25/87/04/708258704.db2.gz ZSKMHWBJKIKQDQ-KGLIPLIRSA-N 1 0 305.378 1.939 20 5 DDBDRO C[C@H](C(=O)N(C)CC[N@H+](C)CCO)c1cccc([N+](=O)[O-])c1 ZINC000912604635 713044671 /nfs/dbraw/zinc/04/46/71/713044671.db2.gz LZFASAJDFLGSFM-LBPRGKRZSA-N 1 0 309.366 1.081 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N1CC([NH+]2CCCC2)C1 ZINC000898617015 708814546 /nfs/dbraw/zinc/81/45/46/708814546.db2.gz YPYVHPXSXQYNNF-UHFFFAOYSA-N 1 0 305.334 1.280 20 5 DDBDRO C[N@@H+]1C[C@@H]2CN(C(=O)CNc3ccccc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000887934156 709170072 /nfs/dbraw/zinc/17/00/72/709170072.db2.gz ATVUHKBZNLNZDC-WBMJQRKESA-N 1 0 318.377 1.417 20 5 DDBDRO C[N@@H+]1CCC[C@@](O)(CC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000900288495 709522729 /nfs/dbraw/zinc/52/27/29/709522729.db2.gz YWTPISDKTGSPJU-OAHLLOKOSA-N 1 0 307.350 1.058 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)N2CC[C@H]([NH+]3CCC3)C2)c1[N+](=O)[O-] ZINC000912912655 713122260 /nfs/dbraw/zinc/12/22/60/713122260.db2.gz CNXAHJUEVUKDBU-JTQLQIEISA-N 1 0 307.354 1.362 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCC[N@@H+]1CCC(C)(C)C1 ZINC000890078969 709737716 /nfs/dbraw/zinc/73/77/16/709737716.db2.gz OSZLSZPUSLSIAF-UHFFFAOYSA-N 1 0 323.397 1.338 20 5 DDBDRO C[C@H](NC(=O)c1c(F)cccc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCN1C ZINC000900807970 709769385 /nfs/dbraw/zinc/76/93/85/709769385.db2.gz XMSLQNVDPQEXSA-GXFFZTMASA-N 1 0 324.356 1.098 20 5 DDBDRO CC[NH+]1CCN([C@H](C)CNc2ncc([N+](=O)[O-])cc2OC)CC1 ZINC000891830171 710304795 /nfs/dbraw/zinc/30/47/95/710304795.db2.gz VJGYITLROWBSTJ-GFCCVEGCSA-N 1 0 323.397 1.436 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1NCc1ccnc(OCC[NH+](C)C)c1 ZINC000893037034 710545155 /nfs/dbraw/zinc/54/51/55/710545155.db2.gz IMPUJRSSTCZGKY-UHFFFAOYSA-N 1 0 320.353 1.276 20 5 DDBDRO Cn1c(C(=O)N2C[C@@]3(C)C[NH+](C)C[C@]3(C)C2)ccc1[N+](=O)[O-] ZINC000913293497 713193474 /nfs/dbraw/zinc/19/34/74/713193474.db2.gz PEGOJRBIOAGYNB-HUUCEWRRSA-N 1 0 306.366 1.347 20 5 DDBDRO CC1(C)C[NH2+]C[C@@H]1N[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000902445243 710756761 /nfs/dbraw/zinc/75/67/61/710756761.db2.gz PJBGZRKUVNAJFD-UPJWGTAASA-N 1 0 307.398 1.863 20 5 DDBDRO C[N@H+]1C[C@H]2[C@@H](CCN2c2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000893941967 710895003 /nfs/dbraw/zinc/89/50/03/710895003.db2.gz XULUMRVBBJOEQD-WPRPVWTQSA-N 1 0 305.363 1.740 20 5 DDBDRO COc1cc([C@@H](C)[NH2+]CC(=O)N2CCOCC2)cc([N+](=O)[O-])c1 ZINC000903132829 711042777 /nfs/dbraw/zinc/04/27/77/711042777.db2.gz YYNANZRTZPBAHA-LLVKDONJSA-N 1 0 323.349 1.113 20 5 DDBDRO COc1cc([C@H](C)[NH2+][C@@H](C)C(=O)NCCF)cc([N+](=O)[O-])c1 ZINC000903168140 711053655 /nfs/dbraw/zinc/05/36/55/711053655.db2.gz SMTAJTZLBMGAQJ-UWVGGRQHSA-N 1 0 313.329 1.728 20 5 DDBDRO C[NH+]1CCC(N(CCO)C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000911937502 711077442 /nfs/dbraw/zinc/07/74/42/711077442.db2.gz NMYUSCDBVBXQSZ-UHFFFAOYSA-N 1 0 313.379 1.185 20 5 DDBDRO C[C@@H]1[C@H]([NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CCN1C ZINC000903300630 711093709 /nfs/dbraw/zinc/09/37/09/711093709.db2.gz JUWNGXCAMKGTFO-YIYPIFLZSA-N 1 0 307.398 1.957 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCCc1nnnn1C ZINC000903348900 711100085 /nfs/dbraw/zinc/10/00/85/711100085.db2.gz NXTRYIMQFNWZKO-LLVKDONJSA-N 1 0 304.354 1.710 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC[C@]23CC[NH2+]C3)c1 ZINC000903869059 711309453 /nfs/dbraw/zinc/30/94/53/711309453.db2.gz AHBZRWWXGOCKKO-GOEBONIOSA-N 1 0 321.377 1.162 20 5 DDBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H]1C[NH2+]C[C@H]1C ZINC000903963696 711349583 /nfs/dbraw/zinc/34/95/83/711349583.db2.gz GBXORPGLDZZDFR-UHIISALHSA-N 1 0 306.366 1.509 20 5 DDBDRO CCC[C@@H]1CN(c2nc(C(=O)OC)ccc2[N+](=O)[O-])CC[NH2+]1 ZINC000895058180 711390933 /nfs/dbraw/zinc/39/09/33/711390933.db2.gz JAUBMHHIISQAHT-SNVBAGLBSA-N 1 0 308.338 1.355 20 5 DDBDRO COC[C@@H]1C[NH2+]CCN1C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000904272704 711422267 /nfs/dbraw/zinc/42/22/67/711422267.db2.gz HWBNKTVSNBTOEO-LBPRGKRZSA-N 1 0 308.338 1.355 20 5 DDBDRO COc1c(O)ccc(C[NH2+]CCN(C)CC(F)F)c1[N+](=O)[O-] ZINC000895671221 711574126 /nfs/dbraw/zinc/57/41/26/711574126.db2.gz GATSBLDTVZIZSP-UHFFFAOYSA-N 1 0 319.308 1.596 20 5 DDBDRO C[C@@H](NC(=O)C1C[NH+]([C@H]2CCOC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000895783207 711605185 /nfs/dbraw/zinc/60/51/85/711605185.db2.gz RSRMLXHDIQLSQL-ABAIWWIYSA-N 1 0 319.361 1.493 20 5 DDBDRO C[NH+](C)CC[C@@H](Nc1ncc([N+](=O)[O-])cn1)c1cccnc1 ZINC000895890602 711638894 /nfs/dbraw/zinc/63/88/94/711638894.db2.gz BAYWLARQCIZDHZ-CYBMUJFWSA-N 1 0 302.338 1.885 20 5 DDBDRO CCO[C@@H](CNc1nc2ccccn2c1[N+](=O)[O-])C[NH+](C)C ZINC000896118128 711678753 /nfs/dbraw/zinc/67/87/53/711678753.db2.gz RKXYMGHVKLQONL-NSHDSACASA-N 1 0 307.354 1.621 20 5 DDBDRO CC[C@H]([NH2+]CC[N+](=O)[O-])[C@H]1CN(Cc2ccccc2)CCO1 ZINC000905170612 711958296 /nfs/dbraw/zinc/95/82/96/711958296.db2.gz RBHWBQFOHKUCEV-JKSUJKDBSA-N 1 0 307.394 1.532 20 5 DDBDRO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CC[NH2+]CC[N+](=O)[O-] ZINC000905507718 712058368 /nfs/dbraw/zinc/05/83/68/712058368.db2.gz DFDWXZHFIBPYTD-VXGBXAGGSA-N 1 0 301.387 1.746 20 5 DDBDRO O=C(NC[C@@H]1CCC[NH2+]C1)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000906633971 712374747 /nfs/dbraw/zinc/37/47/47/712374747.db2.gz MTLPWYKIPWZGGB-BYCMXARLSA-N 1 0 303.362 1.814 20 5 DDBDRO Cc1ccc([C@H](C)NC(=O)NC[C@H]2CC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000921336893 713738316 /nfs/dbraw/zinc/73/83/16/713738316.db2.gz ZLTQDTUEILAPKS-WCQYABFASA-N 1 0 306.366 1.968 20 5 DDBDRO COc1ccc(C[NH2+]CC[C@@H]2CC(=O)N(C)C2)cc1[N+](=O)[O-] ZINC000922489626 714068994 /nfs/dbraw/zinc/06/89/94/714068994.db2.gz RGFIDARHCHOHST-GFCCVEGCSA-N 1 0 307.350 1.561 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CC[C@H](C3OCCO3)C2)c1 ZINC000932004569 714231220 /nfs/dbraw/zinc/23/12/20/714231220.db2.gz ZGPRZMRHWXEXNJ-JSGCOSHPSA-N 1 0 308.334 1.323 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CC[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000923293661 714300198 /nfs/dbraw/zinc/30/01/98/714300198.db2.gz VWFOJERLVHRTFU-IPYPFGDCSA-N 1 0 321.377 1.161 20 5 DDBDRO C[N@@H+]1CCO[C@H]2CN(c3nc4ccccc4cc3[N+](=O)[O-])C[C@H]21 ZINC000352355703 719412805 /nfs/dbraw/zinc/41/28/05/719412805.db2.gz JIQZEOKLQLWFFL-CABCVRRESA-N 1 0 314.345 1.662 20 5 DDBDRO Cc1nscc1C(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001125929842 737673662 /nfs/dbraw/zinc/67/36/62/737673662.db2.gz FBVCJUPMEUSXJK-UHFFFAOYSA-N 1 0 320.374 1.879 20 5 DDBDRO O=[N+]([O-])c1cnc2ccc(NCC[NH+]3CCSCC3)cn21 ZINC001167837850 738998621 /nfs/dbraw/zinc/99/86/21/738998621.db2.gz YLWWOAASVQMOAH-UHFFFAOYSA-N 1 0 307.379 1.703 20 5 DDBDRO Cc1c[nH]c(C(=O)NCCC[NH2+]Cc2cccc([N+](=O)[O-])c2)n1 ZINC001167957261 740080922 /nfs/dbraw/zinc/08/09/22/740080922.db2.gz USQIJROHJKYKCK-UHFFFAOYSA-N 1 0 317.349 1.536 20 5 DDBDRO Cc1nc(NCCN(C)C(=O)CCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC001101939001 742043446 /nfs/dbraw/zinc/04/34/46/742043446.db2.gz MOWFKGXYEGHUOU-UHFFFAOYSA-N 1 0 323.397 1.510 20 5 DDBDRO O=[N+]([O-])c1cc2c(cc1N[C@@H]1CCCN(C3COC3)C1)C[NH2+]C2 ZINC001168371312 743560823 /nfs/dbraw/zinc/56/08/23/743560823.db2.gz DCLHBOHADNCAPY-CYBMUJFWSA-N 1 0 318.377 1.473 20 5 DDBDRO Cc1ncsc1C(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001124049841 747450756 /nfs/dbraw/zinc/45/07/56/747450756.db2.gz QOUVYDONFNTSGD-UHFFFAOYSA-N 1 0 320.374 1.879 20 5 DDBDRO O=[N+]([O-])c1ccc(OCC[NH2+]Cc2cnc3cnccn23)cc1 ZINC001200127041 748141933 /nfs/dbraw/zinc/14/19/33/748141933.db2.gz OJMXZRRAOCWQOG-UHFFFAOYSA-N 1 0 313.317 1.806 20 5 DDBDRO COc1cc(C[NH2+]C[C@H]2CCC[C@@H](O)C2)c([N+](=O)[O-])cc1O ZINC001200691768 748321049 /nfs/dbraw/zinc/32/10/49/748321049.db2.gz HEWPVZFYRDEGRN-CMPLNLGQSA-N 1 0 310.350 1.950 20 5 DDBDRO Cc1ccc(C[NH2+]C[C@@H]2COC3(CCOCC3)O2)cc1[N+](=O)[O-] ZINC001201676401 748566210 /nfs/dbraw/zinc/56/62/10/748566210.db2.gz PXOJWOLEZLERTL-CQSZACIVSA-N 1 0 322.361 1.915 20 5 DDBDRO Cc1nc(C[NH2+]C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c(C)o1 ZINC000996429331 749587947 /nfs/dbraw/zinc/58/79/47/749587947.db2.gz PUSKZIHKIGMBPY-TZMCWYRMSA-N 1 0 322.365 1.037 20 5 DDBDRO CC[N@H+](C)CCC(=O)NC/C=C\CNc1ccc([N+](=O)[O-])cn1 ZINC001107321685 749798981 /nfs/dbraw/zinc/79/89/81/749798981.db2.gz JEZCSSBEIIXLJQ-PLNGDYQASA-N 1 0 321.381 1.416 20 5 DDBDRO Cc1ncoc1C(=O)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001156228013 762059322 /nfs/dbraw/zinc/05/93/22/762059322.db2.gz LODFIXVIPGKPMW-UHFFFAOYSA-N 1 0 318.333 1.801 20 5 DDBDRO CC(=O)Nc1ccc(-n2cc3c(n2)CC[C@@H]([NH3+])C3)cc1[N+](=O)[O-] ZINC001168819854 762069748 /nfs/dbraw/zinc/06/97/48/762069748.db2.gz HBLNYNDNLBPCON-LLVKDONJSA-N 1 0 315.333 1.555 20 5 DDBDRO CC(C)(C)CC[N@H+]1CC=C(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001000673088 762077955 /nfs/dbraw/zinc/07/79/55/762077955.db2.gz DTXZMQFQMRIGHD-ZIAGYGMSSA-N 1 0 309.410 1.836 20 5 DDBDRO CC(C)C(=O)N1CCC(C[NH2+]Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000997546567 751091410 /nfs/dbraw/zinc/09/14/10/751091410.db2.gz QYPPJURSYPEBIZ-UHFFFAOYSA-N 1 0 323.397 1.313 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2nccn2CC(F)(F)F)C1 ZINC001168991955 762166094 /nfs/dbraw/zinc/16/60/94/762166094.db2.gz INLLCBJQPJSJIR-NXEZZACHSA-N 1 0 306.288 1.980 20 5 DDBDRO COCC(=O)N[C@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168998905 762170884 /nfs/dbraw/zinc/17/08/84/762170884.db2.gz QYYKATHLOGJYNZ-AAVRWANBSA-N 1 0 313.398 1.095 20 5 DDBDRO CCOC(=O)[C@@H]1CC[C@H](O)[C@@H]([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169006504 762174972 /nfs/dbraw/zinc/17/49/72/762174972.db2.gz YFACHPDIDSYGDL-ZSLBOAEBSA-N 1 0 314.382 1.114 20 5 DDBDRO CCOC(=O)c1ccc(-n2nc(CC[NH3+])nc2C)c([N+](=O)[O-])c1 ZINC001168989420 762181358 /nfs/dbraw/zinc/18/13/58/762181358.db2.gz MVKUFNBGMMNBPL-UHFFFAOYSA-N 1 0 319.321 1.162 20 5 DDBDRO CC(=O)N1CCCC[C@]12CC[N@@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169030354 762186478 /nfs/dbraw/zinc/18/64/78/762186478.db2.gz YYQFHTZRXZOLFS-OWCLPIDISA-N 1 0 309.410 1.909 20 5 DDBDRO CC(C)NC(=O)N[C@H]1CCC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169052513 762208135 /nfs/dbraw/zinc/20/81/35/762208135.db2.gz GSFVCUQYRVUDRY-HZSPNIEDSA-N 1 0 312.414 1.604 20 5 DDBDRO CCOc1cc(-n2cncc2C[C@@H]([NH3+])CO)ccc1[N+](=O)[O-] ZINC001169076082 762223945 /nfs/dbraw/zinc/22/39/45/762223945.db2.gz LSDBTFUEKQQPDK-SNVBAGLBSA-N 1 0 306.322 1.041 20 5 DDBDRO C[C@@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000823680571 758340878 /nfs/dbraw/zinc/34/08/78/758340878.db2.gz PPXMTRNJABFJRN-NWDGAFQWSA-N 1 0 323.397 1.521 20 5 DDBDRO Cc1cc(N(CC[NH3+])S(C)(=O)=O)nc2ccc([N+](=O)[O-])cc12 ZINC001154766126 759267703 /nfs/dbraw/zinc/26/77/03/759267703.db2.gz SVQUOQYDKZXIRB-UHFFFAOYSA-N 1 0 324.362 1.176 20 5 DDBDRO COc1nc(C)c([N+](=O)[O-])c(NC[C@@]2(F)CCCC[NH2+]C2)n1 ZINC001155116672 760611158 /nfs/dbraw/zinc/61/11/58/760611158.db2.gz LKKIIMISVRUEJN-CYBMUJFWSA-N 1 0 313.333 1.596 20 5 DDBDRO O=C(CCc1ccon1)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001131344753 768001397 /nfs/dbraw/zinc/00/13/97/768001397.db2.gz MLKDZHHZDQGPOL-UHFFFAOYSA-N 1 0 318.333 1.421 20 5 DDBDRO C[C@H](Nc1ncc([N+](=O)[O-])cc1C(F)(F)F)[C@H]1C[NH2+]CCO1 ZINC001170566181 768167051 /nfs/dbraw/zinc/16/70/51/768167051.db2.gz DVMMFALMUKLILM-OIBJUYFYSA-N 1 0 320.271 1.797 20 5 DDBDRO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1C[NH+](CCC2=CCCCC2)C1 ZINC001042711534 764378939 /nfs/dbraw/zinc/37/89/39/764378939.db2.gz WABIRVOLJSWDIS-HUUCEWRRSA-N 1 0 307.394 1.685 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@H](C)[C@@H]2C[NH2+]CCO2)c1 ZINC001170575829 768241236 /nfs/dbraw/zinc/24/12/36/768241236.db2.gz SBGFBYORSCKABM-RNCFNFMXSA-N 1 0 309.322 1.170 20 5 DDBDRO C[C@H](Nc1ccc2ncccc2c1[N+](=O)[O-])[C@H]1C[NH2+]CCO1 ZINC001170576261 768249234 /nfs/dbraw/zinc/24/92/34/768249234.db2.gz ZOOUQTOLUYAFDI-IINYFYTJSA-N 1 0 302.334 1.932 20 5 DDBDRO O=C(NCC[NH2+]Cc1ccccc1[N+](=O)[O-])C1(CCF)CC1 ZINC001131721269 768311640 /nfs/dbraw/zinc/31/16/40/768311640.db2.gz BVRHWGBCCIHHRC-UHFFFAOYSA-N 1 0 309.341 1.940 20 5 DDBDRO Cc1cc(NC[C@H]2O[C@@H](C(C)C)O[C@@H]2C[NH3+])ncc1[N+](=O)[O-] ZINC001170278468 766233362 /nfs/dbraw/zinc/23/33/62/766233362.db2.gz QMLOWBQZAZJQOI-BZPMIXESSA-N 1 0 310.354 1.435 20 5 DDBDRO COc1ccc(C[C@H](C)[NH2+][C@H]2CCN(C(C)=O)C2)c([N+](=O)[O-])c1 ZINC001170315476 766246363 /nfs/dbraw/zinc/24/63/63/766246363.db2.gz XURHNMRKOKEDKT-FZMZJTMJSA-N 1 0 321.377 1.745 20 5 DDBDRO CN(CC[NH3+])CCNc1ccc(OC(F)(F)F)c([N+](=O)[O-])c1 ZINC001170502810 767620603 /nfs/dbraw/zinc/62/06/03/767620603.db2.gz PLRMFCMEVQROAY-UHFFFAOYSA-N 1 0 322.287 1.796 20 5 DDBDRO O=C(CCc1cn[nH]c1)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001135045482 771297662 /nfs/dbraw/zinc/29/76/62/771297662.db2.gz DFZGSVGLMKBSPC-UHFFFAOYSA-N 1 0 317.349 1.157 20 5 DDBDRO C[NH+](C)CCC(=O)NC[C@H]1C[C@@H](Nc2ccccc2[N+](=O)[O-])C1 ZINC001091397858 772720865 /nfs/dbraw/zinc/72/08/65/772720865.db2.gz WCNSUVYOIYCMOT-BETUJISGSA-N 1 0 320.393 1.853 20 5 DDBDRO CC[NH+](CC)CC(=O)NCCNc1ccc([N+](=O)[O-])c(C)n1 ZINC001093646499 774946288 /nfs/dbraw/zinc/94/62/88/774946288.db2.gz CHDBIFDVVFXUAU-UHFFFAOYSA-N 1 0 309.370 1.168 20 5 DDBDRO CC[N@H+](C)C(C)(C)C(=O)NCCCNc1ncccc1[N+](=O)[O-] ZINC001094639966 776161340 /nfs/dbraw/zinc/16/13/40/776161340.db2.gz KBGNTQQHBASUBZ-UHFFFAOYSA-N 1 0 323.397 1.638 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+][C@@H]1CCS(=O)(=O)C1)CC2 ZINC001172896310 776928885 /nfs/dbraw/zinc/92/88/85/776928885.db2.gz NWZAOTIEDXVLOB-UONOGXRCSA-N 1 0 324.402 1.619 20 5 DDBDRO O=[N+]([O-])c1cc(F)c(N2CCC([NH2+]C3COC3)CC2)c(F)c1 ZINC001173007485 776959990 /nfs/dbraw/zinc/95/99/90/776959990.db2.gz QWRMIORAPWCFPR-UHFFFAOYSA-N 1 0 313.304 1.830 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]C[C@@H](O)CF)c1F ZINC001173181276 777035340 /nfs/dbraw/zinc/03/53/40/777035340.db2.gz CMFWIYMXNZEEAQ-BDAKNGLRSA-N 1 0 304.293 1.594 20 5 DDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC1(N2CCCC2)COC1 ZINC001173217899 777049987 /nfs/dbraw/zinc/04/99/87/777049987.db2.gz NFJXEIXEXIEBTH-CQSZACIVSA-N 1 0 319.405 1.980 20 5 DDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCN1C(=O)C=CC1=O ZINC001173219074 777050602 /nfs/dbraw/zinc/05/06/02/777050602.db2.gz WPPXNBKXODKCIP-NSHDSACASA-N 1 0 303.318 1.040 20 5 DDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCO[C@@H]2C[C@H](CO)C[C@H]21 ZINC001173222791 777056295 /nfs/dbraw/zinc/05/62/95/777056295.db2.gz VPBHAYCIMQMLMB-ODVANORSSA-N 1 0 320.389 1.998 20 5 DDBDRO CN(CCNc1ncccc1[N+](=O)[O-])C(=O)C1(C[NH+](C)C)CC1 ZINC001101917587 777677392 /nfs/dbraw/zinc/67/73/92/777677392.db2.gz QEBWOJBATBGDHM-UHFFFAOYSA-N 1 0 321.381 1.202 20 5 DDBDRO CC[N@@H+]1C[C@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC001178857450 779213304 /nfs/dbraw/zinc/21/33/04/779213304.db2.gz VLERTWXNAUWGJQ-AWEZNQCLSA-N 1 0 321.377 1.820 20 5 DDBDRO Nc1cc(N2CCC[N@@H+]3CCC[C@@H]3C2)cc(CO)c1[N+](=O)[O-] ZINC001117284246 780705403 /nfs/dbraw/zinc/70/54/03/780705403.db2.gz CDOMHAKUKYNOCS-GFCCVEGCSA-N 1 0 306.366 1.344 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC001119948625 781693419 /nfs/dbraw/zinc/69/34/19/781693419.db2.gz QELVHAFMNDOANR-DGCLKSJQSA-N 1 0 305.382 1.781 20 5 DDBDRO C[NH2+][C@@H](C)CCNS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC001345931704 836170882 /nfs/dbraw/zinc/17/08/82/836170882.db2.gz PBMOLJLBUGYGLL-NSHDSACASA-N 1 0 315.395 1.055 20 5 DDBDRO O=C(NC/C=C\C[NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc[nH]1 ZINC001268510181 840336237 /nfs/dbraw/zinc/33/62/37/840336237.db2.gz HGTRXKUOPPTKLH-ARJAWSKDSA-N 1 0 314.345 1.999 20 5 DDBDRO CCCCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC2 ZINC001270844232 842951185 /nfs/dbraw/zinc/95/11/85/842951185.db2.gz ALVHGKFXRCDWBF-ZIAGYGMSSA-N 1 0 309.410 1.766 20 5 DDBDRO O=[N+]([O-])c1cc(NC[C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)nc2[nH]ccc21 ZINC001155483183 862143504 /nfs/dbraw/zinc/14/35/04/862143504.db2.gz JDPPJYCEEUPZAN-HLUHBDAQSA-N 1 0 303.322 1.117 20 5 DDBDRO O=[N+]([O-])c1cc(Cl)cc(N[C@H]2CCO[C@@]3(CC[NH2+]C3)C2)n1 ZINC001155616395 862293394 /nfs/dbraw/zinc/29/33/94/862293394.db2.gz CXXINJUXMKGXPF-GWCFXTLKSA-N 1 0 312.757 1.966 20 5 DDBDRO O=[N+]([O-])c1c[nH]c2ccc(N[C@@H]3CCO[C@@]4(CC[NH2+]C4)C3)nc21 ZINC001155624023 862307431 /nfs/dbraw/zinc/30/74/31/862307431.db2.gz UZAVJPXWHHSVIW-BMIGLBTASA-N 1 0 317.349 1.794 20 5 DDBDRO C[C@@H]1C[C@@H](C)C[NH+](CCn2cc([N+](=O)[O-])c(=O)c([N+](=O)[O-])c2)C1 ZINC001328033866 862648662 /nfs/dbraw/zinc/64/86/62/862648662.db2.gz YFRXEIBYHAXHHW-GHMZBOCLSA-N 1 0 324.337 1.643 20 5 DDBDRO COc1cc2ncnc(-n3nc(C[NH3+])cc3C)c2cc1[N+](=O)[O-] ZINC001156039830 862660611 /nfs/dbraw/zinc/66/06/11/862660611.db2.gz WOCJDZVPSQBYGU-UHFFFAOYSA-N 1 0 314.305 1.499 20 5 DDBDRO Cc1ncoc1C(=O)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001156227463 862840812 /nfs/dbraw/zinc/84/08/12/862840812.db2.gz CKMKLYWQXMETJV-UHFFFAOYSA-N 1 0 318.333 1.801 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC2(CC1)C[NH2+]CCO2 ZINC001122233261 858720363 /nfs/dbraw/zinc/72/03/63/858720363.db2.gz HZVSHIJJRXVWTE-UHFFFAOYSA-N 1 0 319.361 1.498 20 5 DDBDRO C[C@@H](NC(=O)[C@H]1C[N@@H+]2CCN1C[C@@H]2C)c1ccccc1[N+](=O)[O-] ZINC001123975900 859506774 /nfs/dbraw/zinc/50/67/74/859506774.db2.gz GUSQVLAMRAVGBN-YWPYICTPSA-N 1 0 318.377 1.160 20 5 DDBDRO O=C(CO[C@@H]1C[NH+]2CCC1CC2)OCc1ccc([N+](=O)[O-])cc1 ZINC001224985774 881624731 /nfs/dbraw/zinc/62/47/31/881624731.db2.gz ABXVAEWIKBZYAC-OAHLLOKOSA-N 1 0 320.345 1.749 20 5 DDBDRO [NH3+]CC1(N(Cc2ccccc2)c2cc([N+](=O)[O-])ccn2)COC1 ZINC001156627554 863206932 /nfs/dbraw/zinc/20/69/32/863206932.db2.gz BRVCYSNFZCOLHQ-UHFFFAOYSA-N 1 0 314.345 1.724 20 5 DDBDRO Cc1nc(Cl)c([N+](=O)[O-])c(NC(=N)NCCCC[NH3+])n1 ZINC001157094737 863571259 /nfs/dbraw/zinc/57/12/59/863571259.db2.gz VGCYKTFUTSDUGE-UHFFFAOYSA-N 1 0 301.738 1.022 20 5 DDBDRO CCOC(=O)CN(CCC[NH3+])c1nccc(Cl)c1[N+](=O)[O-] ZINC001157544821 863904237 /nfs/dbraw/zinc/90/42/37/863904237.db2.gz RPYHBADRPDZGMN-UHFFFAOYSA-N 1 0 316.745 1.362 20 5 DDBDRO [NH3+][C@H]1CCc2nn(-c3cnc4cc([N+](=O)[O-])ccc4n3)cc2C1 ZINC001157980079 864327832 /nfs/dbraw/zinc/32/78/32/864327832.db2.gz NNESJCPVVUAFOG-JTQLQIEISA-N 1 0 310.317 1.540 20 5 DDBDRO [NH3+]Cc1nnnn1-c1ccc2ccc3ccc(Cl)nc3c2n1 ZINC001158074679 864407961 /nfs/dbraw/zinc/40/79/61/864407961.db2.gz IRMJYYQMTRESCI-UHFFFAOYSA-N 1 0 311.736 1.871 20 5 DDBDRO Cc1c[nH+]ccc1N1CCN(c2cc(N)c([N+](=O)[O-])cn2)CC1 ZINC001158105928 864431443 /nfs/dbraw/zinc/43/14/43/864431443.db2.gz NRADJQKOKUNJOJ-UHFFFAOYSA-N 1 0 314.349 1.602 20 5 DDBDRO [NH3+]C[C@@]1(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CCCOC1 ZINC001330609624 864484343 /nfs/dbraw/zinc/48/43/43/864484343.db2.gz KECJAQZKBVLTLE-INIZCTEOSA-N 1 0 319.361 1.235 20 5 DDBDRO Cc1cnc(N2CCC(N3CC[C@@H]([NH3+])C3)CC2)c([N+](=O)[O-])c1 ZINC001158258861 864522129 /nfs/dbraw/zinc/52/21/29/864522129.db2.gz KKJJCAJXAASZMK-GFCCVEGCSA-N 1 0 305.382 1.300 20 5 DDBDRO C[NH2+]CCC(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC001330980949 864752138 /nfs/dbraw/zinc/75/21/38/864752138.db2.gz FRQNSNQHSXKSHB-UHFFFAOYSA-N 1 0 316.155 1.583 20 5 DDBDRO CCOc1ccc(C(=O)N(CC)[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC001331004681 864771342 /nfs/dbraw/zinc/77/13/42/864771342.db2.gz VHQJMCGMZVVTCM-LBPRGKRZSA-N 1 0 307.350 1.818 20 5 DDBDRO COc1nc(-n2nnc3ccc(C[NH3+])cc32)ccc1[N+](=O)[O-] ZINC001159026885 865054835 /nfs/dbraw/zinc/05/48/35/865054835.db2.gz PSQIGXPFZKOATL-UHFFFAOYSA-N 1 0 300.278 1.191 20 5 DDBDRO Cc1c(CC(=O)N(CC[NH3+])CC(F)(F)F)cccc1[N+](=O)[O-] ZINC001331993760 865488016 /nfs/dbraw/zinc/48/80/16/865488016.db2.gz HCVYCFMHXKPUEM-UHFFFAOYSA-N 1 0 319.283 1.795 20 5 DDBDRO C[NH2+][C@H](C)CCNC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC001332172924 865636715 /nfs/dbraw/zinc/63/67/15/865636715.db2.gz BNNVBLCIONLCJG-SECBINFHSA-N 1 0 311.338 1.340 20 5 DDBDRO Cc1ncc([N+](=O)[O-])c(N[C@@H]2CC[NH2+]C[C@H]2C(F)(F)F)n1 ZINC001160738897 866090097 /nfs/dbraw/zinc/09/00/97/866090097.db2.gz VOZJWCRNSWWGBK-HTQZYQBOSA-N 1 0 305.260 1.646 20 5 DDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@H]1C[NH2+]CCC1(F)F ZINC001333292104 866599720 /nfs/dbraw/zinc/59/97/20/866599720.db2.gz MBWNHXJPBCAOOY-LLVKDONJSA-N 1 0 313.304 1.498 20 5 DDBDRO Cn1cc(N2CC[C@@H]([NH2+]CCc3ccc([N+](=O)[O-])cc3)C2)cn1 ZINC001333353295 866660219 /nfs/dbraw/zinc/66/02/19/866660219.db2.gz RXFSODADPUCGMN-CQSZACIVSA-N 1 0 315.377 1.739 20 5 DDBDRO CC1(C)C[C@@H](CNc2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)CCO1 ZINC001161430632 866661039 /nfs/dbraw/zinc/66/10/39/866661039.db2.gz XDZJNMKKMJLURG-JTQLQIEISA-N 1 0 321.381 1.689 20 5 DDBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)c1nc(N)[nH+]c(N)n1 ZINC001162095605 867246826 /nfs/dbraw/zinc/24/68/26/867246826.db2.gz VSLHHTWKYGYUAO-UHFFFAOYSA-N 1 0 309.717 1.234 20 5 DDBDRO [NH3+]Cc1nc2cnccc2n1-c1ncnc2ccc([N+](=O)[O-])cc21 ZINC001162215840 867347798 /nfs/dbraw/zinc/34/77/98/867347798.db2.gz PYJRUXIOBMZNPF-UHFFFAOYSA-N 1 0 321.300 1.731 20 5 DDBDRO C[C@@]1(O)CC[C@@H](Nc2ncnc(C3C[NH2+]C3)c2[N+](=O)[O-])CC1 ZINC001162359943 867491488 /nfs/dbraw/zinc/49/14/88/867491488.db2.gz SLMJZEQAKOANQQ-YPFXGUDJSA-N 1 0 307.354 1.177 20 5 DDBDRO C[C@@H]1C[NH2+]CCC[C@@H]1CNc1cc([N+](=O)[O-])c2nncn2c1 ZINC001162468296 867554070 /nfs/dbraw/zinc/55/40/70/867554070.db2.gz WOZKEQFBMLWHFE-GHMZBOCLSA-N 1 0 304.354 1.685 20 5 DDBDRO COC(=O)[C@@H](Nc1ccc2nc[nH]c2c1[N+](=O)[O-])C(C)(C)[NH3+] ZINC001162950500 867939183 /nfs/dbraw/zinc/93/91/83/867939183.db2.gz UDXUJKYISAYWAC-LLVKDONJSA-N 1 0 307.310 1.162 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC2CC3(C2)CCC[NH2+]C3)n1 ZINC001162985784 867975073 /nfs/dbraw/zinc/97/50/73/867975073.db2.gz CPGZRTMGBXCJAJ-UHFFFAOYSA-N 1 0 320.349 1.721 20 5 DDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@](C)(O)CC[NH+](C)C ZINC001325427430 868021124 /nfs/dbraw/zinc/02/11/24/868021124.db2.gz KOWYILDQZMMSJK-HNNXBMFYSA-N 1 0 324.381 1.069 20 5 DDBDRO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)c1cccc([N+](=O)[O-])c1N ZINC001322336429 868118980 /nfs/dbraw/zinc/11/89/80/868118980.db2.gz KYWBDCOSVUJELG-VXGBXAGGSA-N 1 0 306.366 1.780 20 5 DDBDRO COc1ccc(NC[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)nc1[N+](=O)[O-] ZINC001163272256 868291321 /nfs/dbraw/zinc/29/13/21/868291321.db2.gz UXIJWWPOBMAIPR-ABAIWWIYSA-N 1 0 322.365 1.569 20 5 DDBDRO CCOC(=O)c1cccc([N+](=O)[O-])c1N[C@H]1C[NH2+][C@@H]2CCO[C@@H]21 ZINC001163342839 868376099 /nfs/dbraw/zinc/37/60/99/868376099.db2.gz IERBSQKQMHTLJG-SUNKGSAMSA-N 1 0 321.333 1.313 20 5 DDBDRO CC(C)=C(C)CC(=O)NCCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001164035042 868903079 /nfs/dbraw/zinc/90/30/79/868903079.db2.gz SEVJWPQAMHTEIZ-UHFFFAOYSA-N 1 0 323.397 1.671 20 5 DDBDRO CO[C@@H]1CC[N@H+](CCOc2cc([N+](=O)[O-])c(F)cc2F)C1 ZINC001226181084 882255790 /nfs/dbraw/zinc/25/57/90/882255790.db2.gz MISZHISXEXFTPU-SECBINFHSA-N 1 0 302.277 1.973 20 5 DDBDRO CN(CC[N@H+](C)CCO)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001336693782 869097214 /nfs/dbraw/zinc/09/72/14/869097214.db2.gz RWADVPQNDQVQRP-UHFFFAOYSA-N 1 0 321.299 1.974 20 5 DDBDRO CN1CCCC[C@H]1C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001336744333 869120161 /nfs/dbraw/zinc/12/01/61/869120161.db2.gz KFLSVZBFROZMPV-ZDUSSCGKSA-N 1 0 320.393 1.997 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N1CCC[C@@H]1C[NH+](C)C ZINC001165071960 869361721 /nfs/dbraw/zinc/36/17/21/869361721.db2.gz LEXIWNSLCSMEIQ-SNVBAGLBSA-N 1 0 308.338 1.307 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N1CCC(F)(C[NH3+])CC1 ZINC001165263293 869476985 /nfs/dbraw/zinc/47/69/85/869476985.db2.gz WCIMZQIVKATHQB-UHFFFAOYSA-N 1 0 312.301 1.044 20 5 DDBDRO CSc1nc(Cl)nc(N2CC[C@H]3C[C@@]3([NH3+])C2)c1[N+](=O)[O-] ZINC001165327828 869519802 /nfs/dbraw/zinc/51/98/02/869519802.db2.gz QBIMGHALTWKTJQ-UPONEAKYSA-N 1 0 315.786 1.688 20 5 DDBDRO COc1cccc(N[C@H](C)[C@H]2C[N@H+](C)CCN2C)c1[N+](=O)[O-] ZINC001338084764 869791400 /nfs/dbraw/zinc/79/14/00/869791400.db2.gz SFRITYOSQOMIAC-DGCLKSJQSA-N 1 0 308.382 1.650 20 5 DDBDRO O=C(NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1n[nH]cc1F ZINC001166112102 869842534 /nfs/dbraw/zinc/84/25/34/869842534.db2.gz WBBKJWVHCUGQPU-UHFFFAOYSA-N 1 0 321.312 1.367 20 5 DDBDRO CC[NH+](CC)C1CCN(c2nnc([C@H](C)[N+](=O)[O-])n2C)CC1 ZINC001338210688 869870508 /nfs/dbraw/zinc/87/05/08/869870508.db2.gz WEAATRQJKFQNTJ-NSHDSACASA-N 1 0 310.402 1.463 20 5 DDBDRO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3ccc(F)cc3[N+](=O)[O-])[C@H]2C1 ZINC001338464795 869993347 /nfs/dbraw/zinc/99/33/47/869993347.db2.gz QRRKFOLAYBPVNA-UBHSHLNASA-N 1 0 321.352 1.733 20 5 DDBDRO Cc1cncc([N+](=O)[O-])c1NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001338680974 870112800 /nfs/dbraw/zinc/11/28/00/870112800.db2.gz HGZGIULHWLNIRU-STQMWFEESA-N 1 0 308.382 1.631 20 5 DDBDRO CCCCC(=O)N[C@H]1C[C@H]([NH2+]Cc2c([N+](=O)[O-])ncn2C)C1 ZINC001317070599 870197580 /nfs/dbraw/zinc/19/75/80/870197580.db2.gz ODLGZFVIBUTJFM-XYPYZODXSA-N 1 0 309.370 1.255 20 5 DDBDRO CC[N@@H+]1CC[C@H](Oc2cc([N+](=O)[O-])c(C(=O)OC)cc2OC)C1 ZINC001226431667 882426687 /nfs/dbraw/zinc/42/66/87/882426687.db2.gz QAKZBNILOSUARI-JTQLQIEISA-N 1 0 324.333 1.863 20 5 DDBDRO CCn1c(CCC[N+](=O)[O-])nnc1N1CC[NH+](CC(C)C)CC1 ZINC001340882783 871407135 /nfs/dbraw/zinc/40/71/35/871407135.db2.gz BNXJGSXGXTXKOC-UHFFFAOYSA-N 1 0 324.429 1.285 20 5 DDBDRO CC(C)[N@@H+]1CCCC[C@@H]1Cn1cc([N+](=O)[O-])c(=O)c([N+](=O)[O-])c1 ZINC001307312917 871419703 /nfs/dbraw/zinc/41/97/03/871419703.db2.gz WTOSOGOLIBDPCF-LLVKDONJSA-N 1 0 324.337 1.928 20 5 DDBDRO CC(C)c1ccc(C(=O)N2CC[NH2+]C[C@@H]2CO)cc1[N+](=O)[O-] ZINC001340951368 871438982 /nfs/dbraw/zinc/43/89/82/871438982.db2.gz CNLALDJMISXOIC-GFCCVEGCSA-N 1 0 307.350 1.125 20 5 DDBDRO O=C(NC[C@@H]1C[NH2+]CCCO1)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001341800149 871829937 /nfs/dbraw/zinc/82/99/37/871829937.db2.gz XQCASIJEBCEAPG-SOUVJXGZSA-N 1 0 319.361 1.193 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001342333025 872153804 /nfs/dbraw/zinc/15/38/04/872153804.db2.gz ONDQEESHMOVGDJ-GFCCVEGCSA-N 1 0 307.350 1.090 20 5 DDBDRO C[C@H]1CN(C(=O)COc2ccccc2[N+](=O)[O-])CC[C@H]1C[NH3+] ZINC001342740326 872362017 /nfs/dbraw/zinc/36/20/17/872362017.db2.gz LBOAMBJLCADRSF-RYUDHWBXSA-N 1 0 307.350 1.417 20 5 DDBDRO CN(CC[N@H+](C)CCO)c1nc2ccc([N+](=O)[O-])cc2s1 ZINC001343190190 872527227 /nfs/dbraw/zinc/52/72/27/872527227.db2.gz YTIBGUFRTLMXOK-UHFFFAOYSA-N 1 0 310.379 1.565 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC001343715756 872729930 /nfs/dbraw/zinc/72/99/30/872729930.db2.gz WZGFCSDDPAFENY-NSHDSACASA-N 1 0 321.381 1.090 20 5 DDBDRO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC001350089627 875530221 /nfs/dbraw/zinc/53/02/21/875530221.db2.gz VSHCNEHRKXSEJC-QEJZJMRPSA-N 1 0 303.362 1.594 20 5 DDBDRO CC[NH+](CC)CC[C@@H](C)NC(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC001351127069 876072339 /nfs/dbraw/zinc/07/23/39/876072339.db2.gz NSRKPYHRJNUCHF-SNVBAGLBSA-N 1 0 311.386 1.487 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCC[N@H+](C)CCO ZINC001216538378 876971126 /nfs/dbraw/zinc/97/11/26/876971126.db2.gz PNQUFNJNFMTXDH-UHFFFAOYSA-N 1 0 310.354 1.257 20 5 DDBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@H]1[NH2+]CC12CCCC2 ZINC001353072756 877101797 /nfs/dbraw/zinc/10/17/97/877101797.db2.gz OXDFALJIQNXZJS-CQSZACIVSA-N 1 0 303.362 1.786 20 5 DDBDRO C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC001353375389 877286116 /nfs/dbraw/zinc/28/61/16/877286116.db2.gz DSNNRDXFQSTBEX-XGFWRYKXSA-N 1 0 306.362 1.969 20 5 DDBDRO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3cccc(F)c3[N+](=O)[O-])[C@H]2C1 ZINC001353381032 877291134 /nfs/dbraw/zinc/29/11/34/877291134.db2.gz VCZPPKUIGIVHSD-OBJOEFQTSA-N 1 0 321.352 1.733 20 5 DDBDRO C[C@H](CNC(=O)[C@H]1C[C@]12CC[NH2+]C2)c1ccccc1[N+](=O)[O-] ZINC001355316109 878496292 /nfs/dbraw/zinc/49/62/92/878496292.db2.gz LTIXOVGCBHRDDO-KFNAQCHYSA-N 1 0 303.362 1.814 20 5 DDBDRO C[C@@H]1CN(CC[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)[C@H](C)CO1 ZINC001356619742 879133420 /nfs/dbraw/zinc/13/34/20/879133420.db2.gz SLQDETIKGXZMQO-XJKCOSOUSA-N 1 0 323.393 1.327 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CO[C@H](C)CN1CCOCC1 ZINC001223103607 880831319 /nfs/dbraw/zinc/83/13/19/880831319.db2.gz CXDWMJKQVAGEPP-GFCCVEGCSA-N 1 0 310.350 1.841 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)OCc1cc2ccccc2cn1 ZINC001223257293 880890080 /nfs/dbraw/zinc/89/00/80/880890080.db2.gz IAVCZKASLLESND-MRXNPFEDSA-N 1 0 303.382 1.735 20 5 DDBDRO O=c1[nH]nc(O[C@H]2C[NH+]3CCC2CC3)c2c1cccc2[N+](=O)[O-] ZINC001229366868 883945780 /nfs/dbraw/zinc/94/57/80/883945780.db2.gz GMIJRMQHKOYKCV-LBPRGKRZSA-N 1 0 316.317 1.717 20 5 DDBDRO C[C@H]1Cc2cccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)c2C(=O)O1 ZINC001229975357 884259006 /nfs/dbraw/zinc/25/90/06/884259006.db2.gz LHJVZYYVANLEET-WCQYABFASA-N 1 0 322.381 1.151 20 5 DDBDRO CCOC(=O)c1ccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)cc1C ZINC001233806228 887341819 /nfs/dbraw/zinc/34/18/19/887341819.db2.gz XLRIJBASLPVRPF-CYBMUJFWSA-N 1 0 324.397 1.534 20 5 DDBDRO Cc1ccc2c(c1OC(=O)C[C@@H](O)C[N+](C)(C)C)CCCC2=O ZINC001234850570 888225753 /nfs/dbraw/zinc/22/57/53/888225753.db2.gz VKWRHQOGKHOKDU-CYBMUJFWSA-N 1 0 320.409 1.877 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC(N[C@H]3C[NH2+]CC34CC4)CC2)cc1 ZINC001246132839 892427141 /nfs/dbraw/zinc/42/71/41/892427141.db2.gz MNLZPOYISFYGIS-INIZCTEOSA-N 1 0 316.405 1.905 20 5 DDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001254538797 896494454 /nfs/dbraw/zinc/49/44/54/896494454.db2.gz BRWBVFOPJCTUGK-RYUDHWBXSA-N 1 0 312.391 1.550 20 5 DDBDRO O=C1CCCCN1CC[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254568950 896505478 /nfs/dbraw/zinc/50/54/78/896505478.db2.gz WZIUZBBFOHNGEV-CQSZACIVSA-N 1 0 303.362 1.664 20 5 DDBDRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254602838 896528431 /nfs/dbraw/zinc/52/84/31/896528431.db2.gz JDANSAISMCNIDG-GJZGRUSLSA-N 1 0 303.362 1.615 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CCC[C@H](n3ccnn3)C1)C2 ZINC001254610587 896531087 /nfs/dbraw/zinc/53/10/87/896531087.db2.gz 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CN(c1ccc(C(N)=O)cc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000286540217 219044151 /nfs/dbraw/zinc/04/41/51/219044151.db2.gz ZFVXVWOBPAQQBE-FUNVUKJBSA-N 1 0 318.377 1.755 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CN(C2CC2)CCO1 ZINC000449127039 230582587 /nfs/dbraw/zinc/58/25/87/230582587.db2.gz VOMQHAACEMMLCN-CJNGLKHVSA-N 1 0 319.405 1.979 20 5 DDBDRO CN(C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)C1CC([NH3+])C1 ZINC000449635149 230624096 /nfs/dbraw/zinc/62/40/96/230624096.db2.gz SSKQSBDAWJDBCP-UHFFFAOYSA-N 1 0 315.333 1.342 20 5 DDBDRO C[C@@H]1CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@H]1CO ZINC000249002296 282125858 /nfs/dbraw/zinc/12/58/58/282125858.db2.gz YYGXMRRHQPYISJ-DYEKYZERSA-N 1 0 310.350 1.037 20 5 DDBDRO CC[C@H](CO)[N@H+](C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000451155093 529381616 /nfs/dbraw/zinc/38/16/16/529381616.db2.gz ALBPEHQJIQOODX-LLVKDONJSA-N 1 0 323.349 1.596 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H](CCCO)C1 ZINC000452133112 231316255 /nfs/dbraw/zinc/31/62/55/231316255.db2.gz RNMQEQXCAAPJPH-ZDUSSCGKSA-N 1 0 321.377 1.936 20 5 DDBDRO CC[C@@H](CO)[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000295806358 529504175 /nfs/dbraw/zinc/50/41/75/529504175.db2.gz WKWJCSZBFQOOTH-JTQLQIEISA-N 1 0 313.329 1.765 20 5 DDBDRO NC(=O)C1([NH2+]CCOc2ccccc2[N+](=O)[O-])CCCCC1 ZINC000088544623 185257180 /nfs/dbraw/zinc/25/71/80/185257180.db2.gz ZKZSQRDDQFIEDX-UHFFFAOYSA-N 1 0 307.350 1.751 20 5 DDBDRO COC[C@H](Cc1ccccc1)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000090539130 185301531 /nfs/dbraw/zinc/30/15/31/185301531.db2.gz IEGFNWBVZKLQOM-AWEZNQCLSA-N 1 0 304.350 1.639 20 5 DDBDRO COC[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000181561756 199317462 /nfs/dbraw/zinc/31/74/62/199317462.db2.gz WCZOVSVZYAITCX-ZDUSSCGKSA-N 1 0 307.350 1.938 20 5 DDBDRO C[NH2+]C1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000430956528 529956025 /nfs/dbraw/zinc/95/60/25/529956025.db2.gz PDERXNHZUXDQLP-UHFFFAOYSA-N 1 0 306.366 1.526 20 5 DDBDRO C[NH2+]C[C@H]1CCN(C(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000493700175 530003476 /nfs/dbraw/zinc/00/34/76/530003476.db2.gz ZYOKKYMBYSJQBL-JOAKQRRISA-N 1 0 307.325 1.815 20 5 DDBDRO COc1cc(C(=O)NC[C@@H]2CCC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000108339287 185507202 /nfs/dbraw/zinc/50/72/02/185507202.db2.gz JKWZVHJSGZOIHU-NSHDSACASA-N 1 0 307.350 1.675 20 5 DDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1F)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000358406306 299143835 /nfs/dbraw/zinc/14/38/35/299143835.db2.gz CWWGJYUZEAZYNL-LLVKDONJSA-N 1 0 307.325 1.629 20 5 DDBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000272606282 210004615 /nfs/dbraw/zinc/00/46/15/210004615.db2.gz JRFRMVBCCCPRSP-DZGCQCFKSA-N 1 0 303.362 1.690 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000358466567 299162220 /nfs/dbraw/zinc/16/22/20/299162220.db2.gz XROBKILXXXNTNF-OAHLLOKOSA-N 1 0 322.365 1.400 20 5 DDBDRO CNC(=O)OC[C@@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000287101220 219314346 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CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@](C)(O)CCOC ZINC000172072798 198034631 /nfs/dbraw/zinc/03/46/31/198034631.db2.gz FKFPPLRFVCBWMM-OAHLLOKOSA-N 1 0 312.366 1.871 20 5 DDBDRO Cn1cc(C[N@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)cn1 ZINC000027214974 352215389 /nfs/dbraw/zinc/21/53/89/352215389.db2.gz JZAPKESIJOEODJ-AWEZNQCLSA-N 1 0 320.349 1.200 20 5 DDBDRO C[NH+](C)C1(CNC(=O)Cn2cc([N+](=O)[O-])cn2)CCCCCC1 ZINC000032704101 352283677 /nfs/dbraw/zinc/28/36/77/352283677.db2.gz QVFGQEZUJUUSQJ-UHFFFAOYSA-N 1 0 323.397 1.562 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCC[NH2+]C(C)C ZINC000036299851 352295383 /nfs/dbraw/zinc/29/53/83/352295383.db2.gz WHZVZKJQJJDRJF-UHFFFAOYSA-N 1 0 315.395 1.570 20 5 DDBDRO O=C(NCC1([NH+]2CCSCC2)CCCC1)[C@H]1C[C@@H]1[N+](=O)[O-] ZINC000044521419 352387519 /nfs/dbraw/zinc/38/75/19/352387519.db2.gz FNIXITJXMUASFJ-RYUDHWBXSA-N 1 0 313.423 1.129 20 5 DDBDRO CC(C)(C)CC[NH+]1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000056042963 352757072 /nfs/dbraw/zinc/75/70/72/352757072.db2.gz QBVJAVBBQUDJCM-UHFFFAOYSA-N 1 0 323.397 1.372 20 5 DDBDRO C[NH+](C)C1(CNC(=O)CCn2cc([N+](=O)[O-])cn2)CCCCC1 ZINC000063640049 352917649 /nfs/dbraw/zinc/91/76/49/352917649.db2.gz SPJPCCFOMLTFSZ-UHFFFAOYSA-N 1 0 323.397 1.562 20 5 DDBDRO O=C(NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)[C@@H]1C[C@@H]1[N+](=O)[O-] ZINC000067360815 353045517 /nfs/dbraw/zinc/04/55/17/353045517.db2.gz KPTBXFIEPGQNKN-XHSDSOJGSA-N 1 0 317.389 1.823 20 5 DDBDRO CC[NH+](CC)CC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000070925323 353185994 /nfs/dbraw/zinc/18/59/94/353185994.db2.gz RWTOTGYQJSPSGP-UHFFFAOYSA-N 1 0 320.393 1.585 20 5 DDBDRO Cc1cc([C@H]2CCC[N@@H+]2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)on1 ZINC000075640528 353373411 /nfs/dbraw/zinc/37/34/11/353373411.db2.gz YZVOIEBLZPHMMN-QWHCGFSZSA-N 1 0 321.337 1.286 20 5 DDBDRO CN(CC(=O)NC[C@H]1CCC[N@H+](C)C1)c1ccccc1[N+](=O)[O-] ZINC000080127674 353592570 /nfs/dbraw/zinc/59/25/70/353592570.db2.gz UNFDVFSHWBCPIZ-CYBMUJFWSA-N 1 0 320.393 1.489 20 5 DDBDRO O=C([C@H]1CC1[N+](=O)[O-])N1CCc2c1cccc2C[NH+]1CCCC1 ZINC000081422803 353672756 /nfs/dbraw/zinc/67/27/56/353672756.db2.gz JDSQCKOQJHUTRK-HOCLYGCPSA-N 1 0 315.373 1.837 20 5 DDBDRO Cc1ccc(C[N@H+](C)C[C@H](O)CN2CCOCC2)cc1[N+](=O)[O-] ZINC000093583316 353902698 /nfs/dbraw/zinc/90/26/98/353902698.db2.gz DBXZYOZVTUAGHG-HNNXBMFYSA-N 1 0 323.393 1.028 20 5 DDBDRO [NH3+][C@H]1CCC[C@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000275610334 354412545 /nfs/dbraw/zinc/41/25/45/354412545.db2.gz IIOOFQMOLNNSSQ-UWVGGRQHSA-N 1 0 321.333 1.366 20 5 DDBDRO NC(=O)c1ccc(C[N@@H+]2CCC[C@H](CCO)C2)c([N+](=O)[O-])c1 ZINC000314064296 354482944 /nfs/dbraw/zinc/48/29/44/354482944.db2.gz RQMLMKIHLJVJPA-LLVKDONJSA-N 1 0 307.350 1.288 20 5 DDBDRO COc1cc(C(=O)N[C@H](C[NH3+])C(F)(F)F)ccc1[N+](=O)[O-] ZINC000401760288 354667107 /nfs/dbraw/zinc/66/71/07/354667107.db2.gz URTZXFXMDHMRTN-SECBINFHSA-N 1 0 307.228 1.223 20 5 DDBDRO Cc1cc(NCC[C@]2(O)CCOC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000404224567 354674758 /nfs/dbraw/zinc/67/47/58/354674758.db2.gz KOOHTLQBYMDYGQ-INIZCTEOSA-N 1 0 317.345 1.827 20 5 DDBDRO CCOc1cc(N2CCO[C@@H]3CC[N@H+](C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000585783577 354842199 /nfs/dbraw/zinc/84/21/99/354842199.db2.gz BDAHJNKVCRXLMR-LSDHHAIUSA-N 1 0 321.377 1.903 20 5 DDBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NCCC[NH+](C)C ZINC000588248591 354911278 /nfs/dbraw/zinc/91/12/78/354911278.db2.gz SZRPWYWHKXEJPG-UHFFFAOYSA-N 1 0 308.382 1.730 20 5 DDBDRO CCNC(=O)CN(CC)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589495175 354995786 /nfs/dbraw/zinc/99/57/86/354995786.db2.gz GBPSQZDQJUMNAI-UHFFFAOYSA-N 1 0 323.349 1.339 20 5 DDBDRO O=C1NC2(CO1)CC[NH+](CCOc1cccc([N+](=O)[O-])c1)CC2 ZINC000495142623 235131381 /nfs/dbraw/zinc/13/13/81/235131381.db2.gz WKEAVLHIJUQVKC-UHFFFAOYSA-N 1 0 321.333 1.548 20 5 DDBDRO COc1cc(C(=O)N[C@@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])cc1F ZINC000590631951 355135005 /nfs/dbraw/zinc/13/50/05/355135005.db2.gz LCDCKRZXBDGCBG-SECBINFHSA-N 1 0 311.313 1.567 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCC[NH2+]CC1 ZINC000591270481 355274497 /nfs/dbraw/zinc/27/44/97/355274497.db2.gz OVYGDNMAHVQHEN-JTQLQIEISA-N 1 0 308.338 1.867 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000591299367 355283173 /nfs/dbraw/zinc/28/31/73/355283173.db2.gz JPPOZNKJFLVAPP-SNVBAGLBSA-N 1 0 308.338 1.867 20 5 DDBDRO COC1(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCC1 ZINC000591758958 355378595 /nfs/dbraw/zinc/37/85/95/355378595.db2.gz NTTPAKJEBNIKLZ-GFCCVEGCSA-N 1 0 310.350 1.493 20 5 DDBDRO COc1cc(C(=O)NC[C@H]2CCCC[NH2+]2)cc([N+](=O)[O-])c1C ZINC000591677302 355360270 /nfs/dbraw/zinc/36/02/70/355360270.db2.gz HSWYAQRPKOVMBB-GFCCVEGCSA-N 1 0 307.350 1.784 20 5 DDBDRO CC[C@@H]1CN(C(=O)CCNc2ccccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000592332346 355561091 /nfs/dbraw/zinc/56/10/91/355561091.db2.gz WXGFFSMHJFMJRG-OLZOCXBDSA-N 1 0 320.393 1.983 20 5 DDBDRO COc1ccccc1[C@H]([NH3+])CNC(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000592286678 355553354 /nfs/dbraw/zinc/55/33/54/355553354.db2.gz HRMCOXNJHZHBSK-SNVBAGLBSA-N 1 0 319.321 1.065 20 5 DDBDRO C[NH2+]C[C@@H]1CCN(C(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000592296265 355553994 /nfs/dbraw/zinc/55/39/94/355553994.db2.gz KUYLVNMTKDUYPA-LBPRGKRZSA-N 1 0 307.350 1.214 20 5 DDBDRO COC(=O)c1cc(C(=O)NC[C@@H]2CCCC[NH2+]2)cc([N+](=O)[O-])c1 ZINC000592292701 355554208 /nfs/dbraw/zinc/55/42/08/355554208.db2.gz IICFJGJSXBDQHN-LBPRGKRZSA-N 1 0 321.333 1.253 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[NH2+]CC1(C)C ZINC000592473898 355593478 /nfs/dbraw/zinc/59/34/78/355593478.db2.gz TZVQIUGTCVKCJX-UHFFFAOYSA-N 1 0 322.365 1.226 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000592543794 355622792 /nfs/dbraw/zinc/62/27/92/355622792.db2.gz KXUURVREONGTPX-LLVKDONJSA-N 1 0 307.350 1.865 20 5 DDBDRO O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000592558154 355627760 /nfs/dbraw/zinc/62/77/60/355627760.db2.gz HNJUJBKYCISAQV-NHAGDIPZSA-N 1 0 301.346 1.551 20 5 DDBDRO CCCN(C(=O)COc1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@H+](C)C1 ZINC000592833239 355708026 /nfs/dbraw/zinc/70/80/26/355708026.db2.gz XKDAVOJZALXMDM-AWEZNQCLSA-N 1 0 321.377 1.916 20 5 DDBDRO O=[N+]([O-])c1cccc(-c2noc(CN3C[C@@H]4C[C@H]3C[NH2+]4)n2)c1 ZINC000601327018 358498941 /nfs/dbraw/zinc/49/89/41/358498941.db2.gz JWNAVGRXMDHHAI-JQWIXIFHSA-N 1 0 301.306 1.191 20 5 DDBDRO COC[C@H]([NH2+]Cc1cc(C(=O)OC)ccc1[N+](=O)[O-])C1CC1 ZINC000593021468 355771682 /nfs/dbraw/zinc/77/16/82/355771682.db2.gz PJCRMGIKFRELNV-ZDUSSCGKSA-N 1 0 308.334 1.896 20 5 DDBDRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 ZINC000593911219 356055156 /nfs/dbraw/zinc/05/51/56/356055156.db2.gz FZBRLNLJIJWSSF-LOWVWBTDSA-N 1 0 322.365 1.281 20 5 DDBDRO C[NH2+]Cc1ccccc1CNC(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000593914050 356057250 /nfs/dbraw/zinc/05/72/50/356057250.db2.gz FSHHKWVEKCRNAP-UHFFFAOYSA-N 1 0 303.322 1.276 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC(CC[NH3+])CC1 ZINC000593916436 356059140 /nfs/dbraw/zinc/05/91/40/356059140.db2.gz KNLCAEZLJZKNAB-UHFFFAOYSA-N 1 0 309.370 1.077 20 5 DDBDRO CC(C)(C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])S(C)(=O)=O ZINC000594496771 356237495 /nfs/dbraw/zinc/23/74/95/356237495.db2.gz VCKUZLUWIWHUAD-GFCCVEGCSA-N 1 0 312.391 1.995 20 5 DDBDRO C[C@H]([NH2+][C@H]1CCc2c(nnn2C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000594519948 356241479 /nfs/dbraw/zinc/24/14/79/356241479.db2.gz HLQFJHPYORUUJZ-JQWIXIFHSA-N 1 0 301.350 1.931 20 5 DDBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+][C@H]1C[C@H](O)C13CCC3)OCCO2 ZINC000594988249 356368684 /nfs/dbraw/zinc/36/86/84/356368684.db2.gz OHNBFUYNIAYLGN-GJZGRUSLSA-N 1 0 320.345 1.759 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CC[C@@H](C)S(=O)(=O)C1 ZINC000594973955 356366671 /nfs/dbraw/zinc/36/66/71/356366671.db2.gz IANVZVCVBCLAKB-YPMHNXCESA-N 1 0 312.391 1.959 20 5 DDBDRO CCNC(=O)N1CC[C@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000565215526 304054201 /nfs/dbraw/zinc/05/42/01/304054201.db2.gz BDVNASIAICEPDM-FZMZJTMJSA-N 1 0 318.377 1.976 20 5 DDBDRO CCOC[C@H]1CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000081519135 192277901 /nfs/dbraw/zinc/27/79/01/192277901.db2.gz ZIRMKDXYAXURSF-ZFWWWQNUSA-N 1 0 324.377 1.693 20 5 DDBDRO CNC(=O)[C@@H](C)C[N@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000081556683 192290823 /nfs/dbraw/zinc/29/08/23/192290823.db2.gz XESUDVFLGSKCDT-QWRGUYRKSA-N 1 0 322.365 1.236 20 5 DDBDRO Cc1nn(CCC(=O)N[C@@H](C[NH3+])CC(C)C)c(C)c1[N+](=O)[O-] ZINC000236840724 202034609 /nfs/dbraw/zinc/03/46/09/202034609.db2.gz XAKDKKLQWVXJPW-GFCCVEGCSA-N 1 0 311.386 1.288 20 5 DDBDRO CCC[C@@H]([NH3+])C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000236925278 202075469 /nfs/dbraw/zinc/07/54/69/202075469.db2.gz IHOATNSVZLIYEK-CQSZACIVSA-N 1 0 306.366 1.371 20 5 DDBDRO O=C(CC[NH2+][C@@H]1C[C@@H](O)C12CCC2)Nc1ccccc1[N+](=O)[O-] ZINC000595782195 356650488 /nfs/dbraw/zinc/65/04/88/356650488.db2.gz OFFMEACQSHVLOD-ZIAGYGMSSA-N 1 0 319.361 1.817 20 5 DDBDRO C[C@@]12COC[C@@H]1C[N@H+](Cc1cc([N+](=O)[O-])cc3c1OCOC3)C2 ZINC000595760625 356642025 /nfs/dbraw/zinc/64/20/25/356642025.db2.gz UWYPFBDHFMEFMV-XJKSGUPXSA-N 1 0 320.345 1.930 20 5 DDBDRO O=C(CC[N@@H+]1CCC2(COC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000595833518 356670162 /nfs/dbraw/zinc/67/01/62/356670162.db2.gz LWTVIDGPZAOUDH-UHFFFAOYSA-N 1 0 305.334 1.646 20 5 DDBDRO CN(C(=O)C[N@@H+]1CC[C@@H]2COC[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000595829512 356666656 /nfs/dbraw/zinc/66/66/56/356666656.db2.gz IGDDJANBBURVBU-OLZOCXBDSA-N 1 0 319.361 1.526 20 5 DDBDRO O=C(CC[N@@H+]1CC[C@H]2COC[C@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000595828155 356666840 /nfs/dbraw/zinc/66/68/40/356666840.db2.gz UVRPHTWSXSOHRE-QWHCGFSZSA-N 1 0 319.361 1.892 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCC(c2ccon2)CC1 ZINC000595829176 356667272 /nfs/dbraw/zinc/66/72/72/356667272.db2.gz QQDVVCJJYIWSBY-UHFFFAOYSA-N 1 0 318.333 1.624 20 5 DDBDRO O=[N+]([O-])c1cccc(F)c1CN1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000595864794 356682849 /nfs/dbraw/zinc/68/28/49/356682849.db2.gz COPPYBRTINYIRR-ZDUSSCGKSA-N 1 0 323.368 1.765 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CN(C)[C@@H](C[NH3+])C(F)(F)F ZINC000595907116 356700978 /nfs/dbraw/zinc/70/09/78/356700978.db2.gz GXBKWGMXUVWMSK-NSHDSACASA-N 1 0 307.272 1.925 20 5 DDBDRO Cc1c(C[NH3+])c(NC(=O)CNc2ccccc2[N+](=O)[O-])nn1C ZINC000595960893 356724579 /nfs/dbraw/zinc/72/45/79/356724579.db2.gz GNXDXNXULPFEHH-UHFFFAOYSA-N 1 0 318.337 1.146 20 5 DDBDRO C[C@@H](C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000596065411 356758579 /nfs/dbraw/zinc/75/85/79/356758579.db2.gz GHYIDKIXXRMUBB-SWLSCSKDSA-N 1 0 310.398 1.958 20 5 DDBDRO CCOc1cc(C[N@H+](C)C[C@H](C)C(=O)NC)ccc1[N+](=O)[O-] ZINC000276914505 213173156 /nfs/dbraw/zinc/17/31/56/213173156.db2.gz NZJXXQAJMTUHCX-NSHDSACASA-N 1 0 309.366 1.807 20 5 DDBDRO NC(=O)c1cc(N2CC[C@H]([NH+]3CC=CC3)C2)ccc1[N+](=O)[O-] ZINC000596139087 356788365 /nfs/dbraw/zinc/78/83/65/356788365.db2.gz BELYAKYNOWYGHC-LBPRGKRZSA-N 1 0 302.334 1.144 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@]1(C)CC[NH2+]C1 ZINC000596128706 356784030 /nfs/dbraw/zinc/78/40/30/356784030.db2.gz KCIZPILMXOFTSA-OAHLLOKOSA-N 1 0 320.349 1.018 20 5 DDBDRO C[C@H](CCNc1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C)[NH+](C)C ZINC000596428068 356875868 /nfs/dbraw/zinc/87/58/68/356875868.db2.gz DGSNSAZJFHFTSH-SNVBAGLBSA-N 1 0 321.381 1.537 20 5 DDBDRO O=[N+]([O-])c1cnc(N2CCC([N@@H+]3CCCOCC3)CC2)nc1 ZINC000596268650 356838705 /nfs/dbraw/zinc/83/87/05/356838705.db2.gz NPJUGDNEVDTDMK-UHFFFAOYSA-N 1 0 307.354 1.076 20 5 DDBDRO COCC(C)(C)[NH+]1CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596280620 356842848 /nfs/dbraw/zinc/84/28/48/356842848.db2.gz IQKZVZSEYQJMIA-UHFFFAOYSA-N 1 0 310.354 1.242 20 5 DDBDRO C[C@@H](CCNC(=O)NCCc1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000596518369 356905182 /nfs/dbraw/zinc/90/51/82/356905182.db2.gz VLGVISMHAXTKJW-LBPRGKRZSA-N 1 0 308.382 1.777 20 5 DDBDRO Cc1cc(N2CCC([N@@H+]3CC[C@H](O)C3)CC2)ccc1[N+](=O)[O-] ZINC000596538585 356911243 /nfs/dbraw/zinc/91/12/43/356911243.db2.gz MKUYIJPVJBPUKU-HNNXBMFYSA-N 1 0 305.378 1.939 20 5 DDBDRO Nc1c(F)c(N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)ccc1[N+](=O)[O-] ZINC000596538492 356911453 /nfs/dbraw/zinc/91/14/53/356911453.db2.gz LFRPZLWVTAJDFK-LLVKDONJSA-N 1 0 324.356 1.352 20 5 DDBDRO C[NH2+]C[C@H]1CCCN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000237258409 202208028 /nfs/dbraw/zinc/20/80/28/202208028.db2.gz YEQZPKHDFGSMRS-SNVBAGLBSA-N 1 0 303.322 1.295 20 5 DDBDRO COc1cc(C(=O)NC[C@@H]2CCC[NH2+]C2)c([N+](=O)[O-])cc1OC ZINC000237260605 202208696 /nfs/dbraw/zinc/20/86/96/202208696.db2.gz WRFJVSBOUDCXJQ-SNVBAGLBSA-N 1 0 323.349 1.341 20 5 DDBDRO COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000597118561 357066192 /nfs/dbraw/zinc/06/61/92/357066192.db2.gz YHIQTWKPHPWEAC-DVVUODLYSA-N 1 0 318.333 1.758 20 5 DDBDRO Cc1c(CNC(=O)N[C@@H]2CC23CC[NH2+]CC3)cccc1[N+](=O)[O-] ZINC000597440041 357176213 /nfs/dbraw/zinc/17/62/13/357176213.db2.gz LIHROAYRUSKYLN-CQSZACIVSA-N 1 0 318.377 1.845 20 5 DDBDRO COc1cccc(C(=O)N2CC[C@@H]([NH+](C)C)[C@H]2C)c1[N+](=O)[O-] ZINC000597696104 357289062 /nfs/dbraw/zinc/28/90/62/357289062.db2.gz BKTOYEYSUOOUGS-ZYHUDNBSSA-N 1 0 307.350 1.768 20 5 DDBDRO C[C@@H](C(=O)N1CC(C[NH+](C)C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000597707784 357294890 /nfs/dbraw/zinc/29/48/90/357294890.db2.gz GJRSDFOEQSSLJA-SNVBAGLBSA-N 1 0 309.341 1.857 20 5 DDBDRO CSc1ccc(C(=O)N2CC(C[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000597707913 357295504 /nfs/dbraw/zinc/29/55/04/357295504.db2.gz JHZYZTSEAASELU-UHFFFAOYSA-N 1 0 309.391 1.950 20 5 DDBDRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1cccc([N+](=O)[O-])c1N)C2 ZINC000597716644 357300132 /nfs/dbraw/zinc/30/01/32/357300132.db2.gz RAJXVZFYIVNQSF-INIZCTEOSA-N 1 0 318.377 1.735 20 5 DDBDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000597857683 357359887 /nfs/dbraw/zinc/35/98/87/357359887.db2.gz IWXXRGVXQHZTPO-SNVBAGLBSA-N 1 0 308.338 1.298 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000597924824 357384458 /nfs/dbraw/zinc/38/44/58/357384458.db2.gz LDARTJPONZYGMO-GFCCVEGCSA-N 1 0 323.397 1.479 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000597926259 357385251 /nfs/dbraw/zinc/38/52/51/357385251.db2.gz WYGICCFJOROFKG-NSHDSACASA-N 1 0 306.366 1.901 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](C)C[NH+]2CCC(C)CC2)n1 ZINC000598262862 357513078 /nfs/dbraw/zinc/51/30/78/357513078.db2.gz MYEYCSWOBDYSEZ-GFCCVEGCSA-N 1 0 323.397 1.661 20 5 DDBDRO CNc1c(C(=O)N2CC[NH2+][C@@H](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000598573759 357636849 /nfs/dbraw/zinc/63/68/49/357636849.db2.gz OFYUEBBTSIDQKV-GFCCVEGCSA-N 1 0 306.366 1.707 20 5 DDBDRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000598747073 357713810 /nfs/dbraw/zinc/71/38/10/357713810.db2.gz VLLRTFUFDZCMRX-VIFPVBQESA-N 1 0 308.338 1.298 20 5 DDBDRO [NH3+][C@@]12CCC[C@@H]1CN(CCC(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC000598682019 357685219 /nfs/dbraw/zinc/68/52/19/357685219.db2.gz KPQHPYXTMBVGDN-MLGOLLRUSA-N 1 0 318.377 1.737 20 5 DDBDRO Cc1ccc(S(=O)(=O)N[C@@H](C)C[C@@H](C)[NH3+])c(C)c1[N+](=O)[O-] ZINC000598714706 357700724 /nfs/dbraw/zinc/70/07/24/357700724.db2.gz JAEIHTSEUTXNLN-ZJUUUORDSA-N 1 0 315.395 1.616 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]1COCCN1C ZINC000599004613 357790693 /nfs/dbraw/zinc/79/06/93/357790693.db2.gz UQTQXKQFGABDTL-CQSZACIVSA-N 1 0 309.366 1.414 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000599605142 357990452 /nfs/dbraw/zinc/99/04/52/357990452.db2.gz TXPRKLDSWIAKQK-LLVKDONJSA-N 1 0 308.338 1.322 20 5 DDBDRO C[C@@H]1CC(F)(F)CC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000599621812 357995112 /nfs/dbraw/zinc/99/51/12/357995112.db2.gz GMMIYEWWQGWWLA-SNVBAGLBSA-N 1 0 301.293 1.876 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000599907064 358077988 /nfs/dbraw/zinc/07/79/88/358077988.db2.gz KFETYWIOPJWYTK-PWSUYJOCSA-N 1 0 322.365 1.543 20 5 DDBDRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)C[C@H]21 ZINC000599988533 358097110 /nfs/dbraw/zinc/09/71/10/358097110.db2.gz GWUFNHXSWZYGFX-HBYGRHMLSA-N 1 0 314.345 1.708 20 5 DDBDRO Cc1n[nH]c(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)c1[N+](=O)[O-] ZINC000600227489 358162512 /nfs/dbraw/zinc/16/25/12/358162512.db2.gz DBHRLEXFSZGEKG-LBPRGKRZSA-N 1 0 321.381 1.763 20 5 DDBDRO C[NH2+]CC1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000237348002 202239362 /nfs/dbraw/zinc/23/93/62/202239362.db2.gz ZXPAKWMOJBLWKF-UHFFFAOYSA-N 1 0 322.321 1.575 20 5 DDBDRO CN(CCOCC[NH3+])Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000600737949 358302349 /nfs/dbraw/zinc/30/23/49/358302349.db2.gz XWCBLABGNCVUEM-UHFFFAOYSA-N 1 0 321.337 1.052 20 5 DDBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000181139005 199256625 /nfs/dbraw/zinc/25/66/25/199256625.db2.gz WVDVXQVBYOHAPU-LBPRGKRZSA-N 1 0 320.393 1.981 20 5 DDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000601555358 358599184 /nfs/dbraw/zinc/59/91/84/358599184.db2.gz FCJROHCELVHKFE-HIFRSBDPSA-N 1 0 303.362 1.738 20 5 DDBDRO COc1c(C(=O)N[C@H]2C[C@@H]([NH+]3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000602168628 358861034 /nfs/dbraw/zinc/86/10/34/358861034.db2.gz YTWPCAMRYDZVKN-TXEJJXNPSA-N 1 0 319.361 1.960 20 5 DDBDRO CC[C@](C)(O)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602511552 359020390 /nfs/dbraw/zinc/02/03/90/359020390.db2.gz OBBBQSPHVIYYKI-HNNXBMFYSA-N 1 0 308.382 1.709 20 5 DDBDRO CC(C)[C@H]1C[NH2+]CCN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000602530696 359030229 /nfs/dbraw/zinc/03/02/29/359030229.db2.gz SCDYAQFAGRAUQF-CQSZACIVSA-N 1 0 307.350 1.430 20 5 DDBDRO Cn1c(C(=O)N2CCCc3cccc(C[NH3+])c32)ccc1[N+](=O)[O-] ZINC000602540779 359035845 /nfs/dbraw/zinc/03/58/45/359035845.db2.gz SEVXASWHHMTYHC-UHFFFAOYSA-N 1 0 314.345 1.985 20 5 DDBDRO C[C@H]1CC[C@@H](NC(=O)CSc2ccc([N+](=O)[O-])cc2)C[NH2+]1 ZINC000602551742 359041219 /nfs/dbraw/zinc/04/12/19/359041219.db2.gz DSLRCRHZVLTDBP-WDEREUQCSA-N 1 0 309.391 1.944 20 5 DDBDRO C[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C(=O)N(C)C ZINC000602629461 359084994 /nfs/dbraw/zinc/08/49/94/359084994.db2.gz HPIYWNAXMMEQHE-NSHDSACASA-N 1 0 321.381 1.025 20 5 DDBDRO COC[C@@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)OC ZINC000602596678 359061869 /nfs/dbraw/zinc/06/18/69/359061869.db2.gz MJRDSCUMJBWFLD-CQSZACIVSA-N 1 0 324.381 1.210 20 5 DDBDRO Cn1nnc2c1CC[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C2 ZINC000602705115 359136202 /nfs/dbraw/zinc/13/62/02/359136202.db2.gz KUGZCFXNSSXDTE-GFCCVEGCSA-N 1 0 301.350 1.413 20 5 DDBDRO CO[C@H](C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@H]1CCOC1 ZINC000602707377 359138267 /nfs/dbraw/zinc/13/82/67/359138267.db2.gz UUWCSKDQGLBLTR-IINYFYTJSA-N 1 0 321.333 1.877 20 5 DDBDRO C[C@H]1CC[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CS1(=O)=O ZINC000602712508 359143089 /nfs/dbraw/zinc/14/30/89/359143089.db2.gz YWZKBMQYHYJFBD-AAEUAGOBSA-N 1 0 312.391 1.693 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+](Cc1cnn(C)c1)CC(C)C ZINC000602839424 359228779 /nfs/dbraw/zinc/22/87/79/359228779.db2.gz FCSRCNHHCRCBDT-UHFFFAOYSA-N 1 0 320.397 1.991 20 5 DDBDRO CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+]CCn1c(C)ncc1[N+](=O)[O-] ZINC000602842662 359231033 /nfs/dbraw/zinc/23/10/33/359231033.db2.gz ZRIGJWNPRLHGBF-OLZOCXBDSA-N 1 0 324.381 1.811 20 5 DDBDRO CS[C@H]1CN(CCn2c(C)ncc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000602797268 359198950 /nfs/dbraw/zinc/19/89/50/359198950.db2.gz IBPQQAYJLGVXTI-NEPJUHHUSA-N 1 0 313.427 1.077 20 5 DDBDRO C[N@@H+]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)C[C@@H]1C(C)(C)C ZINC000602873790 359257115 /nfs/dbraw/zinc/25/71/15/359257115.db2.gz LICVFUASNVVYBI-CQSZACIVSA-N 1 0 322.409 1.419 20 5 DDBDRO Cn1cc(C[C@@H]2CCC[C@H]2[NH2+]Cc2cn(C)nc2[N+](=O)[O-])cn1 ZINC000602894403 359276989 /nfs/dbraw/zinc/27/69/89/359276989.db2.gz GMXZYSMTSRUUJT-GXTWGEPZSA-N 1 0 318.381 1.563 20 5 DDBDRO C[NH+](C)CCc1cn(CCOc2cccc([N+](=O)[O-])c2)nn1 ZINC000603202104 359476952 /nfs/dbraw/zinc/47/69/52/359476952.db2.gz URJKXXCLSMFCCH-UHFFFAOYSA-N 1 0 305.338 1.369 20 5 DDBDRO Cn1cc(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)c([N+](=O)[O-])n1 ZINC000603430799 359635649 /nfs/dbraw/zinc/63/56/49/359635649.db2.gz VAIXNJCVJXTNOS-BFHYXJOUSA-N 1 0 323.397 1.189 20 5 DDBDRO C[C@@H]1C[C@H](N(C)C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000187123629 200064818 /nfs/dbraw/zinc/06/48/18/200064818.db2.gz VWIIABPBVOHXGG-MWLCHTKSSA-N 1 0 308.338 1.250 20 5 DDBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH2+][C@H](C)C1 ZINC000188422992 200244236 /nfs/dbraw/zinc/24/42/36/200244236.db2.gz CHGKRPAKTUCZKN-MNOVXSKESA-N 1 0 309.391 1.896 20 5 DDBDRO CC[NH+](CC)CC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000188572320 200268673 /nfs/dbraw/zinc/26/86/73/200268673.db2.gz GPBKOGUCBRKKMN-UHFFFAOYSA-N 1 0 307.350 1.526 20 5 DDBDRO CCCc1n[nH]c(C(=O)N(CC)CCC[NH+](C)C)c1[N+](=O)[O-] ZINC000188956483 200326828 /nfs/dbraw/zinc/32/68/28/200326828.db2.gz DDYJPWPGYBNOBO-UHFFFAOYSA-N 1 0 311.386 1.684 20 5 DDBDRO Cn1c(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)ccc1[N+](=O)[O-] ZINC000608901336 360252785 /nfs/dbraw/zinc/25/27/85/360252785.db2.gz VDAFYNSZQBWBFZ-UHFFFAOYSA-N 1 0 312.289 1.766 20 5 DDBDRO C[N@@H+]1CCC[C@H](N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000609797419 360350975 /nfs/dbraw/zinc/35/09/75/360350975.db2.gz ZLKBVHZKVKHWFZ-AWEZNQCLSA-N 1 0 305.382 1.206 20 5 DDBDRO O=[N+]([O-])c1cccc(F)c1CN1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000609572572 360326414 /nfs/dbraw/zinc/32/64/14/360326414.db2.gz FEGWCYYWDUTHFJ-JKSUJKDBSA-N 1 0 323.368 1.765 20 5 DDBDRO CO[C@@H]1CCCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611258805 360680562 /nfs/dbraw/zinc/68/05/62/360680562.db2.gz OOSOTWZSHYFJNR-GFCCVEGCSA-N 1 0 308.334 1.977 20 5 DDBDRO C[C@@H](NC(=O)[C@@H]1C[N@@H+]2CCN1CCC2)c1cccc([N+](=O)[O-])c1 ZINC000611201348 360657619 /nfs/dbraw/zinc/65/76/19/360657619.db2.gz UAPCPWTVCHOIQV-DOMZBBRYSA-N 1 0 318.377 1.162 20 5 DDBDRO O=[N+]([O-])c1cc(C[N@H+]2C[C@@H]3CC[C@@H](O)[C@@H]3C2)c2c(c1)COCO2 ZINC000612134113 360928320 /nfs/dbraw/zinc/92/83/20/360928320.db2.gz GSJRKLHXOVSRQX-COLVAYQJSA-N 1 0 320.345 1.664 20 5 DDBDRO C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000618868831 363780227 /nfs/dbraw/zinc/78/02/27/363780227.db2.gz KPWCOCQJMMVFRT-CYBMUJFWSA-N 1 0 321.381 1.439 20 5 DDBDRO C[C@H](c1ccccc1)[C@H](CO)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000613388958 361401838 /nfs/dbraw/zinc/40/18/38/361401838.db2.gz AMSJVSIWDJOEDE-DOMZBBRYSA-N 1 0 304.350 1.546 20 5 DDBDRO C[NH+](C)C[C@]1(O)CCCN(C(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000619566048 364063721 /nfs/dbraw/zinc/06/37/21/364063721.db2.gz VZBMFVRTDITFLG-CYBMUJFWSA-N 1 0 313.379 1.185 20 5 DDBDRO C[C@@H](NC(=O)C[C@@H]1CSCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000091135439 193001738 /nfs/dbraw/zinc/00/17/38/193001738.db2.gz KDNRZEQWCOKVOO-ZYHUDNBSSA-N 1 0 309.391 1.867 20 5 DDBDRO C[C@@H]([NH3+])C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000261802761 203119731 /nfs/dbraw/zinc/11/97/31/203119731.db2.gz LCXVJXIWARBILK-SSDOTTSWSA-N 1 0 320.271 1.489 20 5 DDBDRO COCC1(CNC(=O)c2ccc([N+](=O)[O-])cc2)CC[NH2+]CC1 ZINC000262560844 203329715 /nfs/dbraw/zinc/32/97/15/203329715.db2.gz VKPHUVSETUKTMX-UHFFFAOYSA-N 1 0 307.350 1.341 20 5 DDBDRO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000262594952 203344017 /nfs/dbraw/zinc/34/40/17/203344017.db2.gz UHMNWCISSBLVTR-NEPJUHHUSA-N 1 0 307.350 1.607 20 5 DDBDRO C[C@H](c1cccnc1)[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000093228079 193219050 /nfs/dbraw/zinc/21/90/50/193219050.db2.gz DOUOGPNHURWRFK-GFCCVEGCSA-N 1 0 302.334 1.845 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000264671174 204066434 /nfs/dbraw/zinc/06/64/34/204066434.db2.gz YKVUFCCVKGCPLV-NSHDSACASA-N 1 0 306.366 1.342 20 5 DDBDRO CCCc1n[nH]c(C(=O)NC[C@@H](C)C[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000264670113 204068198 /nfs/dbraw/zinc/06/81/98/204068198.db2.gz LKFFJGVSKGNADC-LLVKDONJSA-N 1 0 323.397 1.732 20 5 DDBDRO C[NH+](C)[C@@H]1CCCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000264644598 204051508 /nfs/dbraw/zinc/05/15/08/204051508.db2.gz WKEUVBALJHIGPS-CABCVRRESA-N 1 0 323.393 1.361 20 5 DDBDRO CC[N@@H+]1CCCN(C(=O)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000264763363 204138488 /nfs/dbraw/zinc/13/84/88/204138488.db2.gz MWVPVVXMRUVCBE-UHFFFAOYSA-N 1 0 321.377 1.918 20 5 DDBDRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000566556690 304168578 /nfs/dbraw/zinc/16/85/78/304168578.db2.gz UGEFLZHNKBHOSI-IUCAKERBSA-N 1 0 307.306 1.133 20 5 DDBDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000566556681 304168629 /nfs/dbraw/zinc/16/86/29/304168629.db2.gz UGEFLZHNKBHOSI-BDAKNGLRSA-N 1 0 307.306 1.133 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000351494186 284342800 /nfs/dbraw/zinc/34/28/00/284342800.db2.gz NTQKFTYUGUMKJM-UBHSHLNASA-N 1 0 318.377 1.511 20 5 DDBDRO [NH3+]C1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000021788371 182288941 /nfs/dbraw/zinc/28/89/41/182288941.db2.gz NHKYKGXYICJZLO-UHFFFAOYSA-N 1 0 319.770 1.360 20 5 DDBDRO CC(C)Oc1nc(N2CCC[N@H+](CCO)CC2)ccc1[N+](=O)[O-] ZINC000566808049 304183071 /nfs/dbraw/zinc/18/30/71/304183071.db2.gz ZFJXXYJULHHHJX-UHFFFAOYSA-N 1 0 324.381 1.281 20 5 DDBDRO C[C@H]([NH2+]C[C@H](O)COC[C@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000567123739 304198682 /nfs/dbraw/zinc/19/86/82/304198682.db2.gz ASLNBIVQSVQECH-VBNZEHGJSA-N 1 0 324.377 1.802 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000334075898 249206048 /nfs/dbraw/zinc/20/60/48/249206048.db2.gz CRUROQPVJLBCGG-QWRGUYRKSA-N 1 0 307.350 1.816 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000337220610 249396537 /nfs/dbraw/zinc/39/65/37/249396537.db2.gz LTVLRFWWEADULH-NWDGAFQWSA-N 1 0 307.350 1.856 20 5 DDBDRO CCCc1n[nH]c(C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000268245212 206574981 /nfs/dbraw/zinc/57/49/81/206574981.db2.gz VYBAKZSZCWKZTC-CABZTGNLSA-N 1 0 321.381 1.483 20 5 DDBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[N@H+](C)C1CC1 ZINC000057712000 184048542 /nfs/dbraw/zinc/04/85/42/184048542.db2.gz JNVXCUSLWFWLCT-SECBINFHSA-N 1 0 322.321 1.716 20 5 DDBDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000341097795 251378722 /nfs/dbraw/zinc/37/87/22/251378722.db2.gz ISXWOGSQCWRASM-PHIMTYICSA-N 1 0 321.381 1.764 20 5 DDBDRO Cc1nn(C)c(C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c1[N+](=O)[O-] ZINC000269104747 207243731 /nfs/dbraw/zinc/24/37/31/207243731.db2.gz BLXKJRCGHSHNLZ-NEPJUHHUSA-N 1 0 321.381 1.193 20 5 DDBDRO CN(C)C(=O)C1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000065208812 184314533 /nfs/dbraw/zinc/31/45/33/184314533.db2.gz KTSISZPENPFPES-UHFFFAOYSA-N 1 0 321.377 1.774 20 5 DDBDRO Cn1ccnc1C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000567679961 304233678 /nfs/dbraw/zinc/23/36/78/304233678.db2.gz KYCQWOHWPQJMNZ-UHFFFAOYSA-N 1 0 303.322 1.447 20 5 DDBDRO C[C@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]C1 ZINC000269204090 207323438 /nfs/dbraw/zinc/32/34/38/207323438.db2.gz NINVYZMQYYUGNJ-VHSXEESVSA-N 1 0 322.321 1.621 20 5 DDBDRO C[C@@H]1CN(C(=O)CCNc2ccccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000269235771 207362819 /nfs/dbraw/zinc/36/28/19/207362819.db2.gz WSAGSUOXURVCOW-VXGBXAGGSA-N 1 0 306.366 1.593 20 5 DDBDRO O=[N+]([O-])c1ccc(-c2noc(N3CC[N@@H+]4CCC[C@H]4C3)n2)cc1 ZINC000486955871 285106943 /nfs/dbraw/zinc/10/69/43/285106943.db2.gz MDKIUHFPLHVWCB-ZDUSSCGKSA-N 1 0 315.333 1.929 20 5 DDBDRO CC(C)(O)C(C)(C)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273004158 210380931 /nfs/dbraw/zinc/38/09/31/210380931.db2.gz AAJNLTNVMSBROH-NSHDSACASA-N 1 0 312.366 1.474 20 5 DDBDRO CC[N@@H+]1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000288614038 220290422 /nfs/dbraw/zinc/29/04/22/220290422.db2.gz XHIYPXYBKWDFDG-CYBMUJFWSA-N 1 0 320.393 1.949 20 5 DDBDRO CCCc1n[nH]c(C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)c1[N+](=O)[O-] ZINC000272994087 210373185 /nfs/dbraw/zinc/37/31/85/210373185.db2.gz QJPWEGMZMBLCHK-SNVBAGLBSA-N 1 0 321.381 1.651 20 5 DDBDRO C[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C[C@H]1CCCCO1 ZINC000272969448 210352391 /nfs/dbraw/zinc/35/23/91/210352391.db2.gz BETPXVWPUCPMJR-UONOGXRCSA-N 1 0 324.377 1.835 20 5 DDBDRO COc1ccc(C(=O)N2CC[C@]3(CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000158459364 197273662 /nfs/dbraw/zinc/27/36/62/197273662.db2.gz MLGHXGZLJDXAHY-HNNXBMFYSA-N 1 0 305.334 1.429 20 5 DDBDRO C[N@@H+]([C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)[C@@H]1CCC[C@@H]1O ZINC000352668259 285211197 /nfs/dbraw/zinc/21/11/97/285211197.db2.gz QQJFICOFDACSCV-KFWWJZLASA-N 1 0 319.361 1.545 20 5 DDBDRO [NH3+]CCC1CCN(C(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000568152676 304269421 /nfs/dbraw/zinc/26/94/21/304269421.db2.gz GCUJMJQRMCJXMQ-UHFFFAOYSA-N 1 0 307.350 1.561 20 5 DDBDRO C[C@H]1C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCC1(F)F ZINC000289783090 221222694 /nfs/dbraw/zinc/22/26/94/221222694.db2.gz LVOHORSOVGMZFO-ONGXEEELSA-N 1 0 304.297 1.129 20 5 DDBDRO O=C(COc1ccccc1[N+](=O)[O-])NCCC[C@H]1CCC[NH2+]1 ZINC000294939097 224326264 /nfs/dbraw/zinc/32/62/64/224326264.db2.gz VFTFVGDDOVASCH-GFCCVEGCSA-N 1 0 307.350 1.622 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000414656098 533227116 /nfs/dbraw/zinc/22/71/16/533227116.db2.gz MITRFUYOGRUCKY-UWVGGRQHSA-N 1 0 308.338 1.995 20 5 DDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC([NH+](C)C)CC1 ZINC000128002079 195928086 /nfs/dbraw/zinc/92/80/86/195928086.db2.gz ZWEBYVLGNXMRSO-GFCCVEGCSA-N 1 0 320.393 1.948 20 5 DDBDRO COc1c(C(=O)N(C)C2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000331034296 533386418 /nfs/dbraw/zinc/38/64/18/533386418.db2.gz YCCFANBPNMFRHZ-UHFFFAOYSA-N 1 0 307.350 1.770 20 5 DDBDRO COc1cccc(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)c1[N+](=O)[O-] ZINC000457364301 533402223 /nfs/dbraw/zinc/40/22/23/533402223.db2.gz AZCRKBFEZMDCBD-QWRGUYRKSA-N 1 0 305.334 1.285 20 5 DDBDRO COc1ccc(CNC(=O)[C@@H]2C[C@H](C)CC[NH2+]2)cc1[N+](=O)[O-] ZINC000423055131 533640873 /nfs/dbraw/zinc/64/08/73/533640873.db2.gz CSWIQWSTCSROEK-PWSUYJOCSA-N 1 0 307.350 1.608 20 5 DDBDRO Cc1n[nH]c(C(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000299435448 533665565 /nfs/dbraw/zinc/66/55/65/533665565.db2.gz GXEJNFBXRKWARZ-LLVKDONJSA-N 1 0 323.397 1.868 20 5 DDBDRO C[C@H](CCO)CC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000568627794 304302620 /nfs/dbraw/zinc/30/26/20/304302620.db2.gz HBPPJHDKRZHDOC-LBPRGKRZSA-N 1 0 309.366 1.922 20 5 DDBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000569093085 304335858 /nfs/dbraw/zinc/33/58/58/304335858.db2.gz VRMCRYTZNQAUEN-CQSZACIVSA-N 1 0 304.350 1.631 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NCC[NH+](C(C)C)C(C)C ZINC000068178565 406623024 /nfs/dbraw/zinc/62/30/24/406623024.db2.gz VBRJVOSEVKTADN-UHFFFAOYSA-N 1 0 311.386 1.335 20 5 DDBDRO [NH3+]CCC1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000070188022 406811955 /nfs/dbraw/zinc/81/19/55/406811955.db2.gz IHUYSTUJXXHSNG-UHFFFAOYSA-N 1 0 313.379 1.344 20 5 DDBDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000078544624 407032974 /nfs/dbraw/zinc/03/29/74/407032974.db2.gz SBQSKRZFMGPMBG-GFCCVEGCSA-N 1 0 321.381 1.352 20 5 DDBDRO O=C(C[NH2+]CCc1ccc([N+](=O)[O-])cc1)NCC(F)(F)F ZINC000049309870 407118081 /nfs/dbraw/zinc/11/80/81/407118081.db2.gz QZSKCCGGVCUYIG-UHFFFAOYSA-N 1 0 305.256 1.405 20 5 DDBDRO CC[NH2+]Cc1cccc(NC(=O)c2c([N+](=O)[O-])c(C)nn2C)c1 ZINC000123126177 407320462 /nfs/dbraw/zinc/32/04/62/407320462.db2.gz CHITUTSRWLJAPM-UHFFFAOYSA-N 1 0 317.349 1.999 20 5 DDBDRO C[C@H]1C[C@H](N(C)CC(=O)Nc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000123564729 407332692 /nfs/dbraw/zinc/33/26/92/407332692.db2.gz GJSITHFXAWWXOF-QWHCGFSZSA-N 1 0 320.393 1.948 20 5 DDBDRO CC[NH2+]Cc1ccccc1NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000124164437 407350307 /nfs/dbraw/zinc/35/03/07/407350307.db2.gz ZLFQMBAJXLIOEC-UHFFFAOYSA-N 1 0 303.322 1.540 20 5 DDBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])[C@@H]1CCCCNC1=O ZINC000105612116 407354949 /nfs/dbraw/zinc/35/49/49/407354949.db2.gz NDGJYZRCLCWWTE-CYBMUJFWSA-N 1 0 307.350 1.574 20 5 DDBDRO CC[C@@H]([NH3+])CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000111304072 407407044 /nfs/dbraw/zinc/40/70/44/407407044.db2.gz AAIGBFRZURKLBV-SSDOTTSWSA-N 1 0 307.759 1.264 20 5 DDBDRO CCC(CC)(C[NH3+])NS(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000111832265 407417255 /nfs/dbraw/zinc/41/72/55/407417255.db2.gz HCEKVTFSYLDZOI-UHFFFAOYSA-N 1 0 315.395 1.699 20 5 DDBDRO C[NH+](C)CC1CCC(NC(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000185578472 407456059 /nfs/dbraw/zinc/45/60/59/407456059.db2.gz KRYYCHKBHQCXCT-UHFFFAOYSA-N 1 0 321.381 1.422 20 5 DDBDRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000128241517 407513602 /nfs/dbraw/zinc/51/36/02/407513602.db2.gz DHEOLCPTHUYDRB-ZYHUDNBSSA-N 1 0 303.322 1.471 20 5 DDBDRO C[C@H](C[NH+]1CCOCC1)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000271139936 407534232 /nfs/dbraw/zinc/53/42/32/407534232.db2.gz RWJOISAKUBHBOB-GFCCVEGCSA-N 1 0 307.350 1.179 20 5 DDBDRO C[C@H]([NH3+])CCNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000178665074 407536246 /nfs/dbraw/zinc/53/62/46/407536246.db2.gz NYYAYMKLRXPMAM-JTQLQIEISA-N 1 0 303.322 1.248 20 5 DDBDRO C[N@H+](C[C@H]1CCOC1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000178780323 407599225 /nfs/dbraw/zinc/59/92/25/407599225.db2.gz FHUVDBOOGVKANM-IUODEOHRSA-N 1 0 319.361 1.668 20 5 DDBDRO COCCC[N@H+](C)CCNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000152327503 407611643 /nfs/dbraw/zinc/61/16/43/407611643.db2.gz ZVVCXZNXDOLNSV-UHFFFAOYSA-N 1 0 313.329 1.432 20 5 DDBDRO C[NH2+][C@H]1CCCN(CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000261853739 407641192 /nfs/dbraw/zinc/64/11/92/407641192.db2.gz YJKATMNFNXOLKA-NSHDSACASA-N 1 0 322.365 1.226 20 5 DDBDRO CN(C[C@H]1CC[N@H+](C)C1)C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000152615024 407660660 /nfs/dbraw/zinc/66/06/60/407660660.db2.gz OLIPCNNFLYFPHV-NSHDSACASA-N 1 0 309.341 1.687 20 5 DDBDRO C[C@H]1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)[C@@H](C[NH3+])C1 ZINC000261729546 407592714 /nfs/dbraw/zinc/59/27/14/407592714.db2.gz HOENHBNUUQHUBQ-GXSJLCMTSA-N 1 0 317.349 1.671 20 5 DDBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000261915453 407669298 /nfs/dbraw/zinc/66/92/98/407669298.db2.gz QSGRSVCNNLWVRK-AWEZNQCLSA-N 1 0 319.365 1.106 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1CN1CC[NH2+]C[C@@H]1c1nccn1C ZINC000261923438 407676343 /nfs/dbraw/zinc/67/63/43/407676343.db2.gz BXRPPSNIWXFGIT-OAHLLOKOSA-N 1 0 315.377 1.783 20 5 DDBDRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000186663168 407736346 /nfs/dbraw/zinc/73/63/46/407736346.db2.gz FFYKKAXWWXMLKD-NEPJUHHUSA-N 1 0 307.350 1.478 20 5 DDBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)c3ccc(F)cc3[N+](=O)[O-])C[C@@H]21 ZINC000262101580 407741759 /nfs/dbraw/zinc/74/17/59/407741759.db2.gz IXGMCGCADXXFLA-TVYUQYBPSA-N 1 0 307.325 1.933 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000236735464 407765355 /nfs/dbraw/zinc/76/53/55/407765355.db2.gz WFXKJSDZBRPZPI-LBPRGKRZSA-N 1 0 311.386 1.322 20 5 DDBDRO CCC[NH+]1CCC(NC(=O)CCn2cc([N+](=O)[O-])nc2C)CC1 ZINC000133349284 407832659 /nfs/dbraw/zinc/83/26/59/407832659.db2.gz RNCXUWYIVCLNRW-UHFFFAOYSA-N 1 0 323.397 1.480 20 5 DDBDRO O=C(NC[C@H]1CCC[NH2+]C1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000237996295 407865421 /nfs/dbraw/zinc/86/54/21/407865421.db2.gz QCJWJSKMKHGHCP-NSHDSACASA-N 1 0 318.377 1.899 20 5 DDBDRO O=C(NC[C@@H]1[NH2+]CCc2ccccc21)c1ccc([N+](=O)[O-])[nH]1 ZINC000262575894 407871216 /nfs/dbraw/zinc/87/12/16/407871216.db2.gz YEPJTURCHKBAII-ZDUSSCGKSA-N 1 0 300.318 1.540 20 5 DDBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)[NH+](C)C ZINC000272334629 407872960 /nfs/dbraw/zinc/87/29/60/407872960.db2.gz WBYOJELSNWVYKN-MRVPVSSYSA-N 1 0 317.292 1.876 20 5 DDBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000268216220 407951445 /nfs/dbraw/zinc/95/14/45/407951445.db2.gz PNXGBLYEUFLPCL-JOYOIKCWSA-N 1 0 304.350 1.390 20 5 DDBDRO C[C@H]1[NH2+]CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000262782428 407927575 /nfs/dbraw/zinc/92/75/75/407927575.db2.gz LSMIWGQSSIFKNY-OLZOCXBDSA-N 1 0 320.393 1.996 20 5 DDBDRO Cc1c(C[N@H+](C)CCCN2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000174714733 407982438 /nfs/dbraw/zinc/98/24/38/407982438.db2.gz VZRGYHJDBASIKZ-UHFFFAOYSA-N 1 0 320.437 1.973 20 5 DDBDRO CCN(CCn1cc([N+](=O)[O-])ccc1=O)C[C@H](O)C(F)(F)F ZINC000189476119 408029422 /nfs/dbraw/zinc/02/94/22/408029422.db2.gz BUADHIKBPRBBMN-JTQLQIEISA-N 1 0 323.271 1.002 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)c1[N+](=O)[O-] ZINC000272672219 408009313 /nfs/dbraw/zinc/00/93/13/408009313.db2.gz TYOQGPOYXPPVKK-QWRGUYRKSA-N 1 0 321.381 1.608 20 5 DDBDRO NC(=O)[C@H]1CCCC[C@H]1[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000189454760 408020348 /nfs/dbraw/zinc/02/03/48/408020348.db2.gz CUALEYQIDVVIIV-MJBXVCDLSA-N 1 0 307.350 1.262 20 5 DDBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3c(N)cccc3[N+](=O)[O-])CC[C@H]21 ZINC000245750654 408060473 /nfs/dbraw/zinc/06/04/73/408060473.db2.gz TYMIEASKASKGFI-DGCLKSJQSA-N 1 0 318.377 1.733 20 5 DDBDRO Cc1c(CC(=O)N2CCC[C@H]([NH+](C)C)C2)cccc1[N+](=O)[O-] ZINC000119518775 408086018 /nfs/dbraw/zinc/08/60/18/408086018.db2.gz YQUYUPITNLPMMG-AWEZNQCLSA-N 1 0 305.378 1.998 20 5 DDBDRO C[C@@H]([NH2+][C@@H](CC(N)=O)C1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000181934255 408055809 /nfs/dbraw/zinc/05/58/09/408055809.db2.gz GRWSKKQOZHZGRM-ABAIWWIYSA-N 1 0 321.377 1.916 20 5 DDBDRO C[C@@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1cnn(C)c1 ZINC000273308891 408146869 /nfs/dbraw/zinc/14/68/69/408146869.db2.gz OPSKSRBUNHAMHT-BXUZGUMPSA-N 1 0 320.349 1.419 20 5 DDBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000121246408 408171118 /nfs/dbraw/zinc/17/11/18/408171118.db2.gz JFAWDLMMMDJZQS-WFASDCNBSA-N 1 0 305.378 1.936 20 5 DDBDRO CN(C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)[C@H]1CCC[N@H+](C)C1 ZINC000151105422 408256099 /nfs/dbraw/zinc/25/60/99/408256099.db2.gz AKIAJQADTDQWAD-NSHDSACASA-N 1 0 317.349 1.637 20 5 DDBDRO CC[N@H+](CCNC(=O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000263682052 408203785 /nfs/dbraw/zinc/20/37/85/408203785.db2.gz FOZPCMUDMVCLIR-UHFFFAOYSA-N 1 0 307.350 1.574 20 5 DDBDRO COC(=O)[C@H](C)C[N@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000246371195 408234775 /nfs/dbraw/zinc/23/47/75/408234775.db2.gz LVUMSQJTJSQXSU-GHMZBOCLSA-N 1 0 323.349 1.663 20 5 DDBDRO CC(C)[C@H]([NH3+])CCN(C)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000156735573 408272649 /nfs/dbraw/zinc/27/26/49/408272649.db2.gz HIALHJHDLOKBGH-LLVKDONJSA-N 1 0 315.395 1.589 20 5 DDBDRO COc1ccc(C[N@H+](C)CCn2ccc([N+](=O)[O-])n2)c(OC)c1 ZINC000176193088 408304179 /nfs/dbraw/zinc/30/41/79/408304179.db2.gz HZWQZNBVONPQKD-UHFFFAOYSA-N 1 0 320.349 1.941 20 5 DDBDRO C[NH+](C)C[C@@H]1CCCN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000263917227 408313737 /nfs/dbraw/zinc/31/37/37/408313737.db2.gz NJGZNXLHCYJEQC-ZDUSSCGKSA-N 1 0 307.350 1.526 20 5 DDBDRO CC(C)(C[NH3+])NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000165865407 162163464 /nfs/dbraw/zinc/16/34/64/162163464.db2.gz KLSPSUKZEGNEMU-UHFFFAOYSA-N 1 0 316.155 1.824 20 5 DDBDRO CC[C@@H]([NH2+]CCC(=O)N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000159251886 408393719 /nfs/dbraw/zinc/39/37/19/408393719.db2.gz XEIOYVODWLTCNO-OAHLLOKOSA-N 1 0 321.377 1.884 20 5 DDBDRO CC(C)[N@@H+]1CCC[C@@H](NC(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000274505625 408432661 /nfs/dbraw/zinc/43/26/61/408432661.db2.gz PZGDAKWDDVMJFT-GFCCVEGCSA-N 1 0 306.366 1.780 20 5 DDBDRO COCC[N@@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000264477034 408507720 /nfs/dbraw/zinc/50/77/20/408507720.db2.gz HFHMAWUWEDMDIC-GFCCVEGCSA-N 1 0 323.349 1.054 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)c1 ZINC000275432670 408587434 /nfs/dbraw/zinc/58/74/34/408587434.db2.gz FABGEWJWSNHHFD-GFCCVEGCSA-N 1 0 323.393 1.885 20 5 DDBDRO CC(=O)c1ccc(N2CCC([NH2+]CCO)CC2)c([N+](=O)[O-])c1 ZINC000270597291 408597175 /nfs/dbraw/zinc/59/71/75/408597175.db2.gz XDHCKXCZKAVNDA-UHFFFAOYSA-N 1 0 307.350 1.348 20 5 DDBDRO Nc1c(C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc(F)cc1[N+](=O)[O-] ZINC000248616683 408598718 /nfs/dbraw/zinc/59/87/18/408598718.db2.gz LZJPOPJNFNXNNE-SWPVVBRQSA-N 1 0 308.313 1.125 20 5 DDBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)NCC[NH+]1CCCCC1 ZINC000270471815 408542460 /nfs/dbraw/zinc/54/24/60/408542460.db2.gz ZGUDVIXQSBWHQV-UHFFFAOYSA-N 1 0 320.393 1.922 20 5 DDBDRO CC[NH+](CC)[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000184919522 408717870 /nfs/dbraw/zinc/71/78/70/408717870.db2.gz ZOBUTSVKLYTOLD-JTQLQIEISA-N 1 0 307.354 1.128 20 5 DDBDRO O=[N+]([O-])c1ccc(OC[C@H]2C[NH2+]CCO2)c(C(F)(F)F)c1 ZINC000164105510 408795574 /nfs/dbraw/zinc/79/55/74/408795574.db2.gz KUHJVRZMOSYLGF-SECBINFHSA-N 1 0 306.240 1.981 20 5 DDBDRO C[C@@]1(O)CCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000178000946 408754951 /nfs/dbraw/zinc/75/49/51/408754951.db2.gz YONNULMDCWVEPG-CYBMUJFWSA-N 1 0 313.741 1.643 20 5 DDBDRO CS(=O)(=O)CC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000178134710 408777987 /nfs/dbraw/zinc/77/79/87/408777987.db2.gz OWMMOAKJGMMMRA-ZDUSSCGKSA-N 1 0 312.391 1.550 20 5 DDBDRO CS(=O)(=O)CC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000178134722 408778474 /nfs/dbraw/zinc/77/84/74/408778474.db2.gz OWMMOAKJGMMMRA-CYBMUJFWSA-N 1 0 312.391 1.550 20 5 DDBDRO CC[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C[C@H]1CCCO1 ZINC000250415618 408778575 /nfs/dbraw/zinc/77/85/75/408778575.db2.gz AAESGRFUUFXDJT-GDBMZVCRSA-N 1 0 324.377 1.835 20 5 DDBDRO C[C@H](NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000418228893 533678058 /nfs/dbraw/zinc/67/80/58/533678058.db2.gz FLWODLRBGZPHPF-COPLHBTASA-N 1 0 306.366 1.953 20 5 DDBDRO Cc1nn(CCC(=O)N2CC[NH+]3CCC2CC3)c(C)c1[N+](=O)[O-] ZINC000188616025 163060486 /nfs/dbraw/zinc/06/04/86/163060486.db2.gz PLEJCEPIJNZXNO-UHFFFAOYSA-N 1 0 321.381 1.105 20 5 DDBDRO CC(C)[C@@H](CNc1ncc([N+](=O)[O-])s1)N1CC[NH+](C)CC1 ZINC000189683944 163111086 /nfs/dbraw/zinc/11/10/86/163111086.db2.gz AEGKDIVJYIIATC-LLVKDONJSA-N 1 0 313.427 1.735 20 5 DDBDRO O=C(NC[C@@H]1CC[NH2+]C1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000286102605 408923952 /nfs/dbraw/zinc/92/39/52/408923952.db2.gz NRELFRWPLABUED-LLVKDONJSA-N 1 0 315.333 1.120 20 5 DDBDRO C[N@H+]1C[C@H]2CN(C(=O)/C=C/c3cccc([N+](=O)[O-])c3)C[C@H]2C1 ZINC000192464307 163224443 /nfs/dbraw/zinc/22/44/43/163224443.db2.gz HIUKNSOIEMBULV-DLPZHFSESA-N 1 0 301.346 1.628 20 5 DDBDRO COc1ccc(NC(=O)CC[N@H+](C)CCCO)c([N+](=O)[O-])c1 ZINC000281801880 408931705 /nfs/dbraw/zinc/93/17/05/408931705.db2.gz KOORUCGYNOJQLZ-UHFFFAOYSA-N 1 0 311.338 1.246 20 5 DDBDRO COc1ccc(NC(=O)C[NH2+][C@@H]2CCOC[C@H]2C)c([N+](=O)[O-])c1 ZINC000277498271 408952560 /nfs/dbraw/zinc/95/25/60/408952560.db2.gz PGVOFMDADFKFJZ-ZYHUDNBSSA-N 1 0 323.349 1.557 20 5 DDBDRO Cc1cc(C(=O)N[C@H](C)C[N@@H+](C)C(C)C)c(N)c([N+](=O)[O-])c1 ZINC000291969498 408954128 /nfs/dbraw/zinc/95/41/28/408954128.db2.gz SBMOYRIIYHFQSK-LLVKDONJSA-N 1 0 308.382 1.944 20 5 DDBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000286303141 408959166 /nfs/dbraw/zinc/95/91/66/408959166.db2.gz XOVAMFQPHRBTDA-BFQNTYOBSA-N 1 0 320.393 1.900 20 5 DDBDRO C[C@H]1COCC[C@H]1[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000277568195 408966283 /nfs/dbraw/zinc/96/62/83/408966283.db2.gz UWPAPSVWFHZQEM-NWDGAFQWSA-N 1 0 307.350 1.938 20 5 DDBDRO Cc1cc(N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)c(F)cc1[N+](=O)[O-] ZINC000292336546 409026054 /nfs/dbraw/zinc/02/60/54/409026054.db2.gz BCPJIDISWIIAHN-GJZGRUSLSA-N 1 0 309.341 1.952 20 5 DDBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000287413390 409034200 /nfs/dbraw/zinc/03/42/00/409034200.db2.gz ZOHKURQVQWIZFL-JQWIXIFHSA-N 1 0 320.349 1.394 20 5 DDBDRO COC(=O)[C@@H](C)C[N@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000247051122 163539814 /nfs/dbraw/zinc/53/98/14/163539814.db2.gz SOLKBCFSRANGBQ-WDEREUQCSA-N 1 0 323.349 1.663 20 5 DDBDRO COC(=O)c1cc(C)nc(NC[C@H]2CC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000287821946 409099178 /nfs/dbraw/zinc/09/91/78/409099178.db2.gz KGLCXQVXCABPHW-SNVBAGLBSA-N 1 0 308.338 1.448 20 5 DDBDRO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000283456454 409159835 /nfs/dbraw/zinc/15/98/35/409159835.db2.gz LHYHJXPHZJOFTG-SECBINFHSA-N 1 0 322.340 1.530 20 5 DDBDRO O=C1C[C@]2(CC[N@@H+](C/C=C/c3ccccc3[N+](=O)[O-])C2)CN1 ZINC000279364386 409199450 /nfs/dbraw/zinc/19/94/50/409199450.db2.gz HKOHEUFVBHZWMF-LLCTXKFZSA-N 1 0 301.346 1.820 20 5 DDBDRO C[C@@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC[N@@H+]1C ZINC000284195885 409293833 /nfs/dbraw/zinc/29/38/33/409293833.db2.gz ZFXGDLQTEGTKKE-ZJUUUORDSA-N 1 0 324.356 1.871 20 5 DDBDRO COC[C@](C)(CCO)[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000284237536 409301785 /nfs/dbraw/zinc/30/17/85/409301785.db2.gz VKPXXWZDUJKDLE-ZDUSSCGKSA-N 1 0 313.310 1.380 20 5 DDBDRO C[C@H]1C[C@@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000262876056 163887695 /nfs/dbraw/zinc/88/76/95/163887695.db2.gz MWRMMWOAIQMUNM-RYUDHWBXSA-N 1 0 307.350 1.620 20 5 DDBDRO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC[N@@H+](C2CC2)C1 ZINC000295288999 409415330 /nfs/dbraw/zinc/41/53/30/409415330.db2.gz IJICRUBTZSLBKM-SNVBAGLBSA-N 1 0 320.349 1.252 20 5 DDBDRO Cc1cc(OCC(=O)NCC2=CC[N@H+](C)CC2)ccc1[N+](=O)[O-] ZINC000280714275 409422366 /nfs/dbraw/zinc/42/23/66/409422366.db2.gz COKLBJNHADGMTP-UHFFFAOYSA-N 1 0 319.361 1.660 20 5 DDBDRO CNc1c(C(=O)N2CC[NH+](CC3CC3)CC2)cccc1[N+](=O)[O-] ZINC000321879610 164044429 /nfs/dbraw/zinc/04/44/29/164044429.db2.gz PYWVFBLYGVCBRP-UHFFFAOYSA-N 1 0 318.377 1.804 20 5 DDBDRO Cc1n[nH]c(C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000408098374 164227134 /nfs/dbraw/zinc/22/71/34/164227134.db2.gz FNKBGWIPWKLNPX-LLVKDONJSA-N 1 0 307.354 1.327 20 5 DDBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290684384 409485944 /nfs/dbraw/zinc/48/59/44/409485944.db2.gz SUOMGKJCRMMDKA-WDEREUQCSA-N 1 0 321.381 1.621 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)n1 ZINC000331452801 409527201 /nfs/dbraw/zinc/52/72/01/409527201.db2.gz XUBURZRITRORJU-LLVKDONJSA-N 1 0 321.381 1.558 20 5 DDBDRO C[NH+](C)C1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000303109777 409536523 /nfs/dbraw/zinc/53/65/23/409536523.db2.gz KJMLMNQHSMBJAX-HNNXBMFYSA-N 1 0 323.393 1.361 20 5 DDBDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])nn2C)C1 ZINC000356725578 409552296 /nfs/dbraw/zinc/55/22/96/409552296.db2.gz DVPQKZWTEPMYTC-GFCCVEGCSA-N 1 0 323.397 1.426 20 5 DDBDRO CC(C)[N@@H+](C)C[C@H](C)NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000356759109 409578606 /nfs/dbraw/zinc/57/86/06/409578606.db2.gz GCSVZFBWGKJAMX-JTQLQIEISA-N 1 0 319.365 1.930 20 5 DDBDRO CC[C@H](C)[NH+]1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000296915022 409703774 /nfs/dbraw/zinc/70/37/74/409703774.db2.gz LGXJKFZYRULXCR-LBPRGKRZSA-N 1 0 309.370 1.124 20 5 DDBDRO C[C@H](C[NH+](C)C)NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000346181988 409847233 /nfs/dbraw/zinc/84/72/33/409847233.db2.gz CFSNRAYXQSQDHH-SNVBAGLBSA-N 1 0 302.334 1.823 20 5 DDBDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000357005051 409786677 /nfs/dbraw/zinc/78/66/77/409786677.db2.gz QQQNWFUNWPLTET-NFAWXSAZSA-N 1 0 323.393 1.359 20 5 DDBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Cn2ccc([N+](=O)[O-])n2)C[C@H]1C ZINC000354379682 409810832 /nfs/dbraw/zinc/81/08/32/409810832.db2.gz CHBINFKHNOOXFL-NEPJUHHUSA-N 1 0 309.370 1.123 20 5 DDBDRO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NCC1CC[NH2+]CC1 ZINC000297134268 409819433 /nfs/dbraw/zinc/81/94/33/409819433.db2.gz HRERGQPMMRKHCE-UHFFFAOYSA-N 1 0 316.361 1.665 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000319936220 409900641 /nfs/dbraw/zinc/90/06/41/409900641.db2.gz AIPMETJSZZMNED-VHSXEESVSA-N 1 0 301.368 1.307 20 5 DDBDRO C[N@@H+]1CC[C@](O)(CNc2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000342832073 409934531 /nfs/dbraw/zinc/93/45/31/409934531.db2.gz RAKJHVBUHNXXMK-LBPRGKRZSA-N 1 0 309.351 1.078 20 5 DDBDRO CC1(C)CC(Nc2ncc([N+](=O)[O-])cc2C(N)=O)CC(C)(C)[NH2+]1 ZINC000298460945 410238293 /nfs/dbraw/zinc/23/82/93/410238293.db2.gz YIDVBJCIKPWMRS-UHFFFAOYSA-N 1 0 321.381 1.810 20 5 DDBDRO CS[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])n2C)C[C@H]1[NH+](C)C ZINC000332718671 410233711 /nfs/dbraw/zinc/23/37/11/410233711.db2.gz QQVVTAWONSKYRB-MNOVXSKESA-N 1 0 312.395 1.051 20 5 DDBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])cnc2N)C[C@H]1C ZINC000351940182 410353921 /nfs/dbraw/zinc/35/39/21/410353921.db2.gz ZUCYTKUUCNAYSQ-NXEZZACHSA-N 1 0 307.354 1.127 20 5 DDBDRO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)[C@H]1C ZINC000346997046 410300475 /nfs/dbraw/zinc/30/04/75/410300475.db2.gz CBNQOEATZXNIOC-CMPLNLGQSA-N 1 0 308.334 1.987 20 5 DDBDRO Cn1c(C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000347384815 410511716 /nfs/dbraw/zinc/51/17/16/410511716.db2.gz ZCFKQVTVIDKXDF-ZDUSSCGKSA-N 1 0 320.393 1.737 20 5 DDBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2c([N+](=O)[O-])cnn2C)C[C@H]1C ZINC000347534897 410602086 /nfs/dbraw/zinc/60/20/86/410602086.db2.gz ZSUSDZOMYRKDBF-GHMZBOCLSA-N 1 0 309.370 1.273 20 5 DDBDRO CO[C@H]1CCN(CCOc2ccc([N+](=O)[O-])cc2)[C@@H](C[NH3+])C1 ZINC000359048192 410548429 /nfs/dbraw/zinc/54/84/29/410548429.db2.gz VIUKLIRXIZQZDM-HIFRSBDPSA-N 1 0 309.366 1.412 20 5 DDBDRO C[NH+](C)[C@H]1CCC[C@H](Nc2cccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000340016729 410617988 /nfs/dbraw/zinc/61/79/88/410617988.db2.gz TWHLDQZFYDBLKM-QWRGUYRKSA-N 1 0 306.366 1.978 20 5 DDBDRO CC[C@H](C)[NH2+][C@@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)c1ccco1 ZINC000359554375 410726826 /nfs/dbraw/zinc/72/68/26/410726826.db2.gz IXPQKDSZFDGXOF-ONGXEEELSA-N 1 0 321.337 1.770 20 5 DDBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H](CCO)C2CCOCC2)cs1 ZINC000359581616 410745197 /nfs/dbraw/zinc/74/51/97/410745197.db2.gz NNJVXUCVQVWOEU-LBPRGKRZSA-N 1 0 300.380 1.924 20 5 DDBDRO COC(=O)COc1ccc(C[NH2+]C(C)(C)CF)cc1[N+](=O)[O-] ZINC000353212470 410857879 /nfs/dbraw/zinc/85/78/79/410857879.db2.gz XMDSECZZMUTBHZ-UHFFFAOYSA-N 1 0 314.313 1.984 20 5 DDBDRO COc1c(C(=O)N2CCC[C@H]([NH+](C)C)C2)cccc1[N+](=O)[O-] ZINC000331050558 410918648 /nfs/dbraw/zinc/91/86/48/410918648.db2.gz ICCAPDNXUJBVGD-NSHDSACASA-N 1 0 307.350 1.770 20 5 DDBDRO CC(C)[C@H](CO)[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000359843809 410911297 /nfs/dbraw/zinc/91/12/97/410911297.db2.gz RXKWQCROJJZHFT-LBPRGKRZSA-N 1 0 306.322 1.751 20 5 DDBDRO CC(=O)N[C@H](C)C1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000331107183 410951813 /nfs/dbraw/zinc/95/18/13/410951813.db2.gz GXISJBMVGANYBO-LLVKDONJSA-N 1 0 309.370 1.028 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CCn2cccc2)c1 ZINC000580314519 422916500 /nfs/dbraw/zinc/91/65/00/422916500.db2.gz XJEBGDUDTOMMHI-AWEZNQCLSA-N 1 0 305.334 1.426 20 5 DDBDRO C[NH+](C)C[C@](C)(O)CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000133017110 196305139 /nfs/dbraw/zinc/30/51/39/196305139.db2.gz RVJDINWASNWJQK-OAHLLOKOSA-N 1 0 322.365 1.204 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000417168915 225231112 /nfs/dbraw/zinc/23/11/12/225231112.db2.gz BCSOQPKIBSWVRF-WDEREUQCSA-N 1 0 322.365 1.482 20 5 DDBDRO CN(C)C1(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000417352073 225304014 /nfs/dbraw/zinc/30/40/14/225304014.db2.gz FFSXMLFJQMBOJF-OLZOCXBDSA-N 1 0 307.398 1.959 20 5 DDBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H](C)CO)cccc1[N+](=O)[O-] ZINC000295865125 225326186 /nfs/dbraw/zinc/32/61/86/225326186.db2.gz YNAJFPUBUHREQJ-DLOVCJGASA-N 1 0 309.366 1.837 20 5 DDBDRO COC1(C(F)(F)F)CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000419310526 226109232 /nfs/dbraw/zinc/10/92/32/226109232.db2.gz CDRIZQXIGYQGBP-UHFFFAOYSA-N 1 0 322.287 1.835 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@]2(CC[NH2+]C2)C1 ZINC000360566856 418467714 /nfs/dbraw/zinc/46/77/14/418467714.db2.gz BCSYUVDYHJIETF-INIZCTEOSA-N 1 0 318.377 1.527 20 5 DDBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]3C[NH2+]C[C@H]32)c1 ZINC000366507537 418482713 /nfs/dbraw/zinc/48/27/13/418482713.db2.gz JJXYIDAYLPWCJZ-TVQRCGJNSA-N 1 0 307.375 1.751 20 5 DDBDRO CCOc1ccc(C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)cc1[N+](=O)[O-] ZINC000366564876 418491409 /nfs/dbraw/zinc/49/14/09/418491409.db2.gz HMFMXBQEZOSZKZ-QWHCGFSZSA-N 1 0 319.361 1.818 20 5 DDBDRO O=C1NC(=O)[C@@H]2C[N@H+](C/C=C/c3ccccc3[N+](=O)[O-])CC[C@H]12 ZINC000366571588 418492355 /nfs/dbraw/zinc/49/23/55/418492355.db2.gz XVCOUZARXKHXIS-ZTGIWPAFSA-N 1 0 315.329 1.203 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC[C@H](c3ccco3)C2)c1 ZINC000374139249 418493835 /nfs/dbraw/zinc/49/38/35/418493835.db2.gz ABKDLWAHKNDYTF-AAEUAGOBSA-N 1 0 306.322 1.235 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC[C@@H]([C@H]3CCOC3)C2)c1 ZINC000374387552 418525231 /nfs/dbraw/zinc/52/52/31/418525231.db2.gz BMJJYZXWCHCHJB-IJEWVQPXSA-N 1 0 306.362 1.987 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC[C@H]([C@@H]3CCOC3)C2)c1 ZINC000374387555 418525607 /nfs/dbraw/zinc/52/56/07/418525607.db2.gz BMJJYZXWCHCHJB-SQWLQELKSA-N 1 0 306.362 1.987 20 5 DDBDRO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000374836017 418568304 /nfs/dbraw/zinc/56/83/04/418568304.db2.gz ZICQNKHAXYJCMX-NXEZZACHSA-N 1 0 322.340 1.673 20 5 DDBDRO CN(C)c1noc([C@@H]2CCCN2CCn2ccc([N+](=O)[O-])n2)n1 ZINC000374518667 418537545 /nfs/dbraw/zinc/53/75/45/418537545.db2.gz HPJFGSWJUIMEQT-JTQLQIEISA-N 1 0 321.341 1.077 20 5 DDBDRO COCC[N@H+](C)CCCNc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000189427795 222045449 /nfs/dbraw/zinc/04/54/49/222045449.db2.gz IOIBSHSAARUINL-UHFFFAOYSA-N 1 0 308.342 1.018 20 5 DDBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)COc3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC000375038644 418592682 /nfs/dbraw/zinc/59/26/82/418592682.db2.gz MAZJASZGVMQJJD-SWLSCSKDSA-N 1 0 319.361 1.526 20 5 DDBDRO CC[C@@H](C)[NH2+][C@H](CNc1ncc([N+](=O)[O-])c(N)n1)c1ccco1 ZINC000343265595 418631466 /nfs/dbraw/zinc/63/14/66/418631466.db2.gz OTDNGIWXMVPTBA-NXEZZACHSA-N 1 0 320.353 1.523 20 5 DDBDRO [NH3+][C@H]1CCC[C@H](C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000346284217 418637311 /nfs/dbraw/zinc/63/73/11/418637311.db2.gz MFJMEQMDYXMQOU-IUCAKERBSA-N 1 0 303.322 1.927 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000371446960 418791821 /nfs/dbraw/zinc/79/18/21/418791821.db2.gz IENKFCGEZMSPCE-QWHCGFSZSA-N 1 0 308.382 1.967 20 5 DDBDRO Cc1ccc(N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c([N+](=O)[O-])c1 ZINC000371824946 418819910 /nfs/dbraw/zinc/81/99/10/418819910.db2.gz OMPFAQCDCLVCIA-HOCLYGCPSA-N 1 0 305.378 1.939 20 5 DDBDRO C[NH+]1CCC2(CCCN2C(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000372836368 418907432 /nfs/dbraw/zinc/90/74/32/418907432.db2.gz IIYRTMYJIVLPHC-UHFFFAOYSA-N 1 0 321.381 1.268 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000372917267 418913805 /nfs/dbraw/zinc/91/38/05/418913805.db2.gz YVDTZRRSQDHSSG-MFKMUULPSA-N 1 0 305.334 1.427 20 5 DDBDRO CCOc1ccc(C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)cc1[N+](=O)[O-] ZINC000372918044 418913893 /nfs/dbraw/zinc/91/38/93/418913893.db2.gz QTOUNWAHAQIAKE-AAEUAGOBSA-N 1 0 319.361 1.818 20 5 DDBDRO C[C@@H](C(=O)NC(C)(C)C)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365851295 418916082 /nfs/dbraw/zinc/91/60/82/418916082.db2.gz VISPIRVEMARIHP-NSHDSACASA-N 1 0 323.397 1.731 20 5 DDBDRO CC(C)[N@H+](C)CC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000373249537 418933719 /nfs/dbraw/zinc/93/37/19/418933719.db2.gz JBTCENXBQLKRPJ-UHFFFAOYSA-N 1 0 309.370 1.295 20 5 DDBDRO Cn1cc([C@@H]2CN(Cc3ccccc3[N+](=O)[O-])C[C@H]2[NH3+])cn1 ZINC000424299899 228255794 /nfs/dbraw/zinc/25/57/94/228255794.db2.gz WDQDRBMDMQMWOK-UONOGXRCSA-N 1 0 301.350 1.255 20 5 DDBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000417949483 419412052 /nfs/dbraw/zinc/41/20/52/419412052.db2.gz UZHWHRTZEXHXJT-OKILXGFUSA-N 1 0 318.377 1.673 20 5 DDBDRO CC(C)(C)[C@H](CO)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411639806 419369407 /nfs/dbraw/zinc/36/94/07/419369407.db2.gz UWURYJBRLVLPSB-ZDUSSCGKSA-N 1 0 309.366 1.920 20 5 DDBDRO C[C@@H]1CCNC(=O)[C@@H]1[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411698894 419382752 /nfs/dbraw/zinc/38/27/52/419382752.db2.gz VRVZMDXOKGOWMS-QMTHXVAHSA-N 1 0 320.349 1.038 20 5 DDBDRO COc1ccc(CN2C[C@H](C)[N@H+](CCO)C[C@H]2C)cc1[N+](=O)[O-] ZINC000418106335 419535921 /nfs/dbraw/zinc/53/59/21/419535921.db2.gz CDQSITYMUYCZLW-QWHCGFSZSA-N 1 0 323.393 1.490 20 5 DDBDRO COc1cc(C[N@@H+]2CC[C@@H](C(=O)N(C)C)C2)ccc1[N+](=O)[O-] ZINC000411936335 419505854 /nfs/dbraw/zinc/50/58/54/419505854.db2.gz FPBAVPZGZSPQQA-GFCCVEGCSA-N 1 0 307.350 1.514 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2C[C@@H](O)C[C@@H]2c2ccccc2)n1 ZINC000411948340 419511942 /nfs/dbraw/zinc/51/19/42/419511942.db2.gz PQNWEPGZLRNRRD-UONOGXRCSA-N 1 0 302.334 1.599 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000427324489 419638249 /nfs/dbraw/zinc/63/82/49/419638249.db2.gz MWISOVJMMYOAGZ-GHMZBOCLSA-N 1 0 307.354 1.168 20 5 DDBDRO C[C@H](NC(=O)N1CCCO[C@H](C[NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC000418227853 419628889 /nfs/dbraw/zinc/62/88/89/419628889.db2.gz CWGGNZGCSZZZHJ-SMDDNHRTSA-N 1 0 322.365 1.415 20 5 DDBDRO C[C@@H](CC[NH3+])NC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000418526503 419857835 /nfs/dbraw/zinc/85/78/35/419857835.db2.gz NFISUDLCAZIUNK-LBPRGKRZSA-N 1 0 321.381 1.164 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000430940821 228984812 /nfs/dbraw/zinc/98/48/12/228984812.db2.gz RLBKQSAMUHRPIX-TXEJJXNPSA-N 1 0 306.366 1.524 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430958977 228989371 /nfs/dbraw/zinc/98/93/71/228989371.db2.gz VFFOBHJZKQVZPO-YPMHNXCESA-N 1 0 306.366 1.511 20 5 DDBDRO C[C@H]1COCC[C@@H]1[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000433165322 229166159 /nfs/dbraw/zinc/16/61/59/229166159.db2.gz BREPVVQYNSNVDI-FZMZJTMJSA-N 1 0 307.350 1.938 20 5 DDBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000435229592 229363552 /nfs/dbraw/zinc/36/35/52/229363552.db2.gz JQDOYQDGCRRVCA-ZDUSSCGKSA-N 1 0 319.361 1.717 20 5 DDBDRO COc1cc(CN(C)CC[NH3+])c([N+](=O)[O-])cc1OC(F)F ZINC000415111058 419950142 /nfs/dbraw/zinc/95/01/42/419950142.db2.gz QDLKTYLKWCLCLQ-UHFFFAOYSA-N 1 0 305.281 1.595 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000415292469 420010044 /nfs/dbraw/zinc/01/00/44/420010044.db2.gz HERMPFMMWLBTPO-GFCCVEGCSA-N 1 0 322.365 1.712 20 5 DDBDRO COc1cccc(C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC000423648766 420113734 /nfs/dbraw/zinc/11/37/34/420113734.db2.gz FLBNTMPFQUHMJY-QWHCGFSZSA-N 1 0 319.361 1.721 20 5 DDBDRO O=C(CCOC1C[NH2+]C1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000423723079 420142625 /nfs/dbraw/zinc/14/26/25/420142625.db2.gz LALHJXOVSSLDSE-UHFFFAOYSA-N 1 0 319.361 1.464 20 5 DDBDRO COC(=O)c1cc(NC(=O)N[C@H](C)CC[NH3+])c(C)c([N+](=O)[O-])c1 ZINC000415593475 420121419 /nfs/dbraw/zinc/12/14/19/420121419.db2.gz FBYKVBYTZOTQEV-MRVPVSSYSA-N 1 0 324.337 1.549 20 5 DDBDRO CC[NH2+]CCNC(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1C ZINC000415595563 420121458 /nfs/dbraw/zinc/12/14/58/420121458.db2.gz HJSREZPEGPMEGS-UHFFFAOYSA-N 1 0 324.337 1.421 20 5 DDBDRO C[NH2+]C[C@H]1CCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000430925092 420208320 /nfs/dbraw/zinc/20/83/20/420208320.db2.gz KDQRVQKSYATVKZ-IUODEOHRSA-N 1 0 318.377 1.241 20 5 DDBDRO C[C@@H]1CN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC[C@H]1[NH3+] ZINC000430929731 420211145 /nfs/dbraw/zinc/21/11/45/420211145.db2.gz QAGWQESPYJLSLP-BXUZGUMPSA-N 1 0 306.366 1.227 20 5 DDBDRO CC(C)[C@@H](C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1)[C@H](C)[NH3+] ZINC000423833018 420214662 /nfs/dbraw/zinc/21/46/62/420214662.db2.gz ZJDBCFZFCDUPIE-IINYFYTJSA-N 1 0 306.366 1.494 20 5 DDBDRO CN(CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)CC(C)(C)C[NH3+] ZINC000430591387 420148433 /nfs/dbraw/zinc/14/84/33/420148433.db2.gz FIGHLEMVWHLCSS-UHFFFAOYSA-N 1 0 320.393 1.401 20 5 DDBDRO [NH3+]CCNC(=O)[C@@H]1CCCN(Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000430629055 420165679 /nfs/dbraw/zinc/16/56/79/420165679.db2.gz PLDQEIPQVLYTMX-LLVKDONJSA-N 1 0 324.356 1.021 20 5 DDBDRO C[NH2+]C[C@@H]1CCCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000430643309 420168422 /nfs/dbraw/zinc/16/84/22/420168422.db2.gz XACJAMWTXDPJDH-OLZOCXBDSA-N 1 0 320.393 1.853 20 5 DDBDRO [NH3+][C@@H]1CCCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000420276163 420177858 /nfs/dbraw/zinc/17/78/58/420177858.db2.gz REUZYBOXPUJGAJ-SECBINFHSA-N 1 0 312.757 1.610 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H]1CC[NH2+]CC1(C)C ZINC000420355107 420231947 /nfs/dbraw/zinc/23/19/47/420231947.db2.gz BSLXVYMWJCNERN-AWEZNQCLSA-N 1 0 320.393 1.819 20 5 DDBDRO CN(C(=O)CCOc1ccccc1[N+](=O)[O-])[C@@H](C[NH3+])C1CC1 ZINC000423948337 420280063 /nfs/dbraw/zinc/28/00/63/420280063.db2.gz LPTFNYJDVZTCAJ-ZDUSSCGKSA-N 1 0 307.350 1.559 20 5 DDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCCC[C@@H]2CCC[NH2+]2)cc1 ZINC000420437323 420286412 /nfs/dbraw/zinc/28/64/12/420286412.db2.gz CHACOVNUZHVJMQ-NSHDSACASA-N 1 0 313.379 1.405 20 5 DDBDRO C[C@@H]1CN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@H](C)[NH2+]1 ZINC000430946390 420218738 /nfs/dbraw/zinc/21/87/38/420218738.db2.gz ALUXQJWOIRZMJK-PHIMTYICSA-N 1 0 317.349 1.827 20 5 DDBDRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000416296425 420312004 /nfs/dbraw/zinc/31/20/04/420312004.db2.gz NVKSLGUSTQTOLW-STQMWFEESA-N 1 0 321.377 1.051 20 5 DDBDRO CCc1n[nH]c(C(=O)N(C)C(C)(C)C[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000416335468 420334211 /nfs/dbraw/zinc/33/42/11/420334211.db2.gz VFNJAXXQFWLOIL-UHFFFAOYSA-N 1 0 323.397 1.827 20 5 DDBDRO CCOC(=O)c1ccnc(N(C)C[C@@H]2CCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000420633030 420337270 /nfs/dbraw/zinc/33/72/70/420337270.db2.gz IQPMOTRQXCHRBV-NSHDSACASA-N 1 0 322.365 1.697 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[NH2+][C@@H](C)[C@H]1C ZINC000436059841 420304397 /nfs/dbraw/zinc/30/43/97/420304397.db2.gz LVTUKMPBCIIGQE-QWHCGFSZSA-N 1 0 320.393 1.914 20 5 DDBDRO C[C@@H]1CN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000443457872 230012372 /nfs/dbraw/zinc/01/23/72/230012372.db2.gz XSORSKVYBUJDMW-MFKMUULPSA-N 1 0 313.379 1.094 20 5 DDBDRO C[C@@H]1CN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000443457873 230012995 /nfs/dbraw/zinc/01/29/95/230012995.db2.gz XSORSKVYBUJDMW-ZWNOBZJWSA-N 1 0 313.379 1.094 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H](CO)C(C)(C)C ZINC000444692976 230122038 /nfs/dbraw/zinc/12/20/38/230122038.db2.gz GDAVPVPEBRBFRG-LBPRGKRZSA-N 1 0 309.366 1.838 20 5 DDBDRO Cc1cc(CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)n(C)n1 ZINC000417788195 420479242 /nfs/dbraw/zinc/47/92/42/420479242.db2.gz IGRZCAMFQXNMPB-LBPRGKRZSA-N 1 0 316.365 1.718 20 5 DDBDRO C[C@H]([NH2+]C[C@H](O)CN1CCCC1=O)c1ccc([N+](=O)[O-])cc1 ZINC000451106371 420591193 /nfs/dbraw/zinc/59/11/93/420591193.db2.gz OTNXDTURVDZMOK-FZMZJTMJSA-N 1 0 307.350 1.229 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)/C=C/c3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000493186307 420781147 /nfs/dbraw/zinc/78/11/47/420781147.db2.gz GYTLTOQBZAIMRF-XPHWWTOTSA-N 1 0 301.346 1.771 20 5 DDBDRO CN(C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-])[C@H](C[NH3+])C1CC1 ZINC000493870810 420963579 /nfs/dbraw/zinc/96/35/79/420963579.db2.gz YXCXMKQTCNPSQJ-HZRUHFOJSA-N 1 0 307.325 1.943 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000449208219 420969806 /nfs/dbraw/zinc/96/98/06/420969806.db2.gz RBSXFIZXWPCDPH-QWHCGFSZSA-N 1 0 318.377 1.760 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000455164927 420977023 /nfs/dbraw/zinc/97/70/23/420977023.db2.gz KLUMPNLOIIHQJC-GXFFZTMASA-N 1 0 320.349 1.771 20 5 DDBDRO C[C@H]([NH3+])[C@H](C)NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000449584490 421032017 /nfs/dbraw/zinc/03/20/17/421032017.db2.gz DCDKTXJAFICTTH-CIUDSAMLSA-N 1 0 315.757 1.867 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000449641217 421042475 /nfs/dbraw/zinc/04/24/75/421042475.db2.gz UQERCEZBMPLSCI-WDEREUQCSA-N 1 0 307.350 1.851 20 5 DDBDRO C[C@H]1C[C@H]1C[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000488408847 421087789 /nfs/dbraw/zinc/08/77/89/421087789.db2.gz FYCBACAEWRSQJU-QWRGUYRKSA-N 1 0 313.379 1.119 20 5 DDBDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])c(NC)n2)C[C@H]1C ZINC000456006771 421088557 /nfs/dbraw/zinc/08/85/57/421088557.db2.gz CCMFUHDDPZHRBU-MNOVXSKESA-N 1 0 321.381 1.586 20 5 DDBDRO CC[NH+](CC)[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(NC)n2)C1 ZINC000455807388 421064718 /nfs/dbraw/zinc/06/47/18/421064718.db2.gz YXFBJLKAPHWNDJ-NSHDSACASA-N 1 0 321.381 1.588 20 5 DDBDRO COc1cc(C[NH2+]C[C@@H]2CCC[C@H]2O)c([N+](=O)[O-])cc1OC ZINC000449737617 421070867 /nfs/dbraw/zinc/07/08/67/421070867.db2.gz SXTLNUFRUSZMHM-GXFFZTMASA-N 1 0 310.350 1.863 20 5 DDBDRO Cc1sc(S(=O)(=O)NC[C@@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000490027922 421185975 /nfs/dbraw/zinc/18/59/75/421185975.db2.gz BRSWMGHLEYJZAU-MRVPVSSYSA-N 1 0 321.424 1.441 20 5 DDBDRO O=C1CC[C@@H](C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)CCN1 ZINC000450481982 421203125 /nfs/dbraw/zinc/20/31/25/421203125.db2.gz FZLXJNBOWSGJTQ-GFCCVEGCSA-N 1 0 303.362 1.869 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CCc1ccccn1 ZINC000561750199 421334841 /nfs/dbraw/zinc/33/48/41/421334841.db2.gz SMBHSSSBXMTSRC-CQSZACIVSA-N 1 0 317.345 1.562 20 5 DDBDRO COc1cc(CN2CC[C@H](OC(=O)N(C)C)C2)ccc1[N+](=O)[O-] ZINC000496973503 421345191 /nfs/dbraw/zinc/34/51/91/421345191.db2.gz JQVMYKXLTXAPDV-LBPRGKRZSA-N 1 0 323.349 1.876 20 5 DDBDRO O=c1c2cc([N+](=O)[O-])cc(Cl)c2ncn1CC[C@H]1CC[NH2+]C1 ZINC000563081816 421453070 /nfs/dbraw/zinc/45/30/70/421453070.db2.gz SJUITTUVFUFCJN-SECBINFHSA-N 1 0 322.752 1.958 20 5 DDBDRO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000548059749 421394337 /nfs/dbraw/zinc/39/43/37/421394337.db2.gz XDWMFJIXXWSKNJ-JTQLQIEISA-N 1 0 307.354 1.176 20 5 DDBDRO COc1ccc(CC(=O)N(C)C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000516061135 421526065 /nfs/dbraw/zinc/52/60/65/421526065.db2.gz YEDOWLOUJXEWJI-UHFFFAOYSA-N 1 0 307.350 1.356 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@@H]([NH3+])C[C@@H]1C ZINC000563349101 421488092 /nfs/dbraw/zinc/48/80/92/421488092.db2.gz PKCZHGFBLSYCGM-NWDGAFQWSA-N 1 0 306.366 1.653 20 5 DDBDRO CC[C@@H]1C[N@H+](C)CCN1c1ccc(C(=O)NC)cc1[N+](=O)[O-] ZINC000549654219 421503367 /nfs/dbraw/zinc/50/33/67/421503367.db2.gz NLFPQSMCKVBFLA-GFCCVEGCSA-N 1 0 306.366 1.485 20 5 DDBDRO CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000563916274 421556324 /nfs/dbraw/zinc/55/63/24/421556324.db2.gz LVCGNVMIXUJLQS-CYBMUJFWSA-N 1 0 306.366 1.936 20 5 DDBDRO CC(C)[NH2+]CCC(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000567784160 421614952 /nfs/dbraw/zinc/61/49/52/421614952.db2.gz PNMFAJWBOCAPGW-UHFFFAOYSA-N 1 0 317.349 2.312 20 5 DDBDRO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cn2C)CC[N@@H+](C2CCC2)C1 ZINC000553864869 421627020 /nfs/dbraw/zinc/62/70/20/421627020.db2.gz BBYFHVYMWSUJKU-LBPRGKRZSA-N 1 0 320.393 1.880 20 5 DDBDRO CC[NH+]1CCC(CNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC1 ZINC000570188287 421630431 /nfs/dbraw/zinc/63/04/31/421630431.db2.gz SPDGFDNHMMWJLT-UHFFFAOYSA-N 1 0 308.338 1.157 20 5 DDBDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000556321749 421708106 /nfs/dbraw/zinc/70/81/06/421708106.db2.gz HARCNJZARQDTRO-NHCYSSNCSA-N 1 0 307.354 1.120 20 5 DDBDRO CC[NH+](CC)CC[C@H](CO)NC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000535835383 421711580 /nfs/dbraw/zinc/71/15/80/421711580.db2.gz WPXMBRHQGWAGMN-CYBMUJFWSA-N 1 0 323.393 1.726 20 5 DDBDRO CC(C)(C)OCC[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000571516376 421722275 /nfs/dbraw/zinc/72/22/75/421722275.db2.gz MNZGQIXKFILAJB-LBPRGKRZSA-N 1 0 312.366 1.739 20 5 DDBDRO COC[C@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C(C)C ZINC000541593390 421798969 /nfs/dbraw/zinc/79/89/69/421798969.db2.gz GZQYUWDLZMESCL-AWEZNQCLSA-N 1 0 321.377 1.745 20 5 DDBDRO C[C@@H](C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)[C@H](C)[NH3+] ZINC000582178820 422124003 /nfs/dbraw/zinc/12/40/03/422124003.db2.gz VJPXAPYZNKUBSE-BDAKNGLRSA-N 1 0 303.322 1.907 20 5 DDBDRO C[C@@H]1C[NH+](C(C)(C)CNc2ccc(N)c([N+](=O)[O-])n2)C[C@@H](C)O1 ZINC000590571731 422320224 /nfs/dbraw/zinc/32/02/24/422320224.db2.gz GULPJLOBHUHDBG-GHMZBOCLSA-N 1 0 323.397 1.872 20 5 DDBDRO COc1ccc(CC(=O)N[C@@H]2CC[NH2+]CC2(C)C)cc1[N+](=O)[O-] ZINC000578217237 422523774 /nfs/dbraw/zinc/52/37/74/422523774.db2.gz JJASILQIUXTDST-CQSZACIVSA-N 1 0 321.377 1.650 20 5 DDBDRO C[C@@H](C[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])S(C)(=O)=O ZINC000578642425 422617508 /nfs/dbraw/zinc/61/75/08/422617508.db2.gz GDHZGECKDKGBRL-VIFPVBQESA-N 1 0 320.798 1.813 20 5 DDBDRO O=C(/C=C\c1ccccc1[N+](=O)[O-])N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000317363996 271022280 /nfs/dbraw/zinc/02/22/80/271022280.db2.gz GDTSJKNBRRXYCC-GMOCCLDISA-N 1 0 301.346 1.961 20 5 DDBDRO O=C(/C=C\c1cccc([N+](=O)[O-])c1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000320789356 271027102 /nfs/dbraw/zinc/02/71/02/271027102.db2.gz YTTQOWBVXJXLET-CWHGNCJQSA-N 1 0 301.346 1.818 20 5 DDBDRO CC[NH+]1CCN([C@@H]2CCN(c3ccc([N+](=O)[O-])nc3)C2)CC1 ZINC000344409685 272017272 /nfs/dbraw/zinc/01/72/72/272017272.db2.gz ABZIDKBACRDFQP-CQSZACIVSA-N 1 0 305.382 1.206 20 5 DDBDRO CC[N@H+]1C[C@@H](C)N(C(=O)CCn2cc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000344412366 272018193 /nfs/dbraw/zinc/01/81/93/272018193.db2.gz CWGZGYJXMXKTLN-TXEJJXNPSA-N 1 0 309.370 1.123 20 5 DDBDRO CC[NH+]1C[C@H](C)N(C(=O)COc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000344431269 272024522 /nfs/dbraw/zinc/02/45/22/272024522.db2.gz SLUFEBUMJSRHHC-STQMWFEESA-N 1 0 321.377 1.915 20 5 DDBDRO COC(=O)c1cc(N2CC[C@@H]([NH+](C)C)C2)cc(C)c1[N+](=O)[O-] ZINC000130570429 274000224 /nfs/dbraw/zinc/00/02/24/274000224.db2.gz OPPCUFSIHSKASE-LLVKDONJSA-N 1 0 307.350 1.830 20 5 DDBDRO COCC[NH+]1CCN(c2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000296466936 274032176 /nfs/dbraw/zinc/03/21/76/274032176.db2.gz JSCQHEDEPBXNAM-UHFFFAOYSA-N 1 0 316.361 1.911 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(N2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000267386597 274118260 /nfs/dbraw/zinc/11/82/60/274118260.db2.gz MPPJNMBTEPNLRS-CYBMUJFWSA-N 1 0 321.377 1.762 20 5 DDBDRO C[C@@H](O)C[NH+]1CCN(c2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000436460482 274272970 /nfs/dbraw/zinc/27/29/70/274272970.db2.gz OHTPTWAYJSCYTF-LLVKDONJSA-N 1 0 317.349 1.041 20 5 DDBDRO NC(=O)[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000284020311 274936429 /nfs/dbraw/zinc/93/64/29/274936429.db2.gz HSYYTEHKZQMAGE-VXGBXAGGSA-N 1 0 322.321 1.637 20 5 DDBDRO CCOC(=O)c1cc(C(=O)NCC[C@@H](C)[NH3+])cc([N+](=O)[O-])c1 ZINC000422776118 276297161 /nfs/dbraw/zinc/29/71/61/276297161.db2.gz DAUPCGCEQWFFNX-SECBINFHSA-N 1 0 309.322 1.239 20 5 DDBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000157020018 277182614 /nfs/dbraw/zinc/18/26/14/277182614.db2.gz PBCGEQMXEZFIFI-OCCSQVGLSA-N 1 0 318.377 1.733 20 5 DDBDRO COC[C@H]1CCCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000452042392 277265924 /nfs/dbraw/zinc/26/59/24/277265924.db2.gz TZAMINWOYYCISV-CYBMUJFWSA-N 1 0 307.350 1.695 20 5 DDBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@H](C[NH+](C)C)C1 ZINC000114199711 278215729 /nfs/dbraw/zinc/21/57/29/278215729.db2.gz ZQIUXTDLWMOCQC-QWHCGFSZSA-N 1 0 320.393 1.805 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](C)CCC[NH3+] ZINC000313516739 278747002 /nfs/dbraw/zinc/74/70/02/278747002.db2.gz NIPWFQHVPHTWTB-JTQLQIEISA-N 1 0 301.368 1.309 20 5 DDBDRO C[C@@H]1C[C@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC[NH2+]1 ZINC000447508165 278985510 /nfs/dbraw/zinc/98/55/10/278985510.db2.gz JROWCLLTDMJHON-NXEZZACHSA-N 1 0 321.333 1.236 20 5 DDBDRO CN(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCSC1 ZINC000119953909 281110471 /nfs/dbraw/zinc/11/04/71/281110471.db2.gz VZHLSDFOJDIXPY-CYBMUJFWSA-N 1 0 309.391 1.995 20 5 DDBDRO CC(C)N(CC[NH+](C)C)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000123419236 281171318 /nfs/dbraw/zinc/17/13/18/281171318.db2.gz YWJWRFKIVGMTQM-UHFFFAOYSA-N 1 0 321.424 1.617 20 5 DDBDRO O=C(C[C@@H]1CC[NH2+]C1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000130818442 281395140 /nfs/dbraw/zinc/39/51/40/281395140.db2.gz AOHKSIFYMLRTJT-NWDGAFQWSA-N 1 0 319.365 1.002 20 5 DDBDRO C[NH+](C)C/C=C\C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000493040480 282022625 /nfs/dbraw/zinc/02/26/25/282022625.db2.gz RWXDMJLDIXKVTP-ARJAWSKDSA-N 1 0 316.361 1.853 20 5 DDBDRO C[C@@H]1CN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@@H]1[NH3+] ZINC000447248889 297060996 /nfs/dbraw/zinc/06/09/96/297060996.db2.gz LIQQDFMSXQUJGS-APPZFPTMSA-N 1 0 319.770 1.216 20 5 DDBDRO CCc1ccc(S(=O)(=O)N(C)C2CC([NH3+])C2)cc1[N+](=O)[O-] ZINC000572362957 304521183 /nfs/dbraw/zinc/52/11/83/304521183.db2.gz ADXWXFQOUQWWIC-UHFFFAOYSA-N 1 0 313.379 1.267 20 5 DDBDRO COc1ccc(C[C@](C)([NH3+])CNc2ncc([N+](=O)[O-])cn2)cc1 ZINC000354611240 298479680 /nfs/dbraw/zinc/47/96/80/298479680.db2.gz XSMCKYGYJJIJGM-HNNXBMFYSA-N 1 0 317.349 1.765 20 5 DDBDRO COc1cc(C[N@@H+]2C[C@@H]3CC[C@H](O)[C@H]3C2)c([N+](=O)[O-])cc1F ZINC000362193320 300025959 /nfs/dbraw/zinc/02/59/59/300025959.db2.gz YOVXSKKYDKNBIL-CHIMOYNISA-N 1 0 310.325 1.945 20 5 DDBDRO COC(=O)C[C@]1(NCc2cc([N+](=O)[O-])ccc2OC)CCOC1 ZINC000362276429 300041733 /nfs/dbraw/zinc/04/17/33/300041733.db2.gz GXKAURCJJJQYGF-OAHLLOKOSA-N 1 0 324.333 1.415 20 5 DDBDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000363050830 300203849 /nfs/dbraw/zinc/20/38/49/300203849.db2.gz NMAYFIITZFOZCJ-ARFHVFGLSA-N 1 0 317.389 1.632 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@H](Oc3ccccc3)C2)c1 ZINC000363170890 300225872 /nfs/dbraw/zinc/22/58/72/300225872.db2.gz PGSSJMWTZHYTPP-HNNXBMFYSA-N 1 0 302.334 1.945 20 5 DDBDRO O=[N+]([O-])c1c(N2CCC[N@@H+]3CCC[C@H]3C2)nc2sccn21 ZINC000364261162 300364234 /nfs/dbraw/zinc/36/42/34/300364234.db2.gz SYNGYWOYZZWHLP-JTQLQIEISA-N 1 0 307.379 1.979 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@]2(CCC[C@@H]2[NH3+])C1 ZINC000365103653 300480720 /nfs/dbraw/zinc/48/07/20/300480720.db2.gz CYYNZLNAPMHQEH-HOCLYGCPSA-N 1 0 319.361 1.947 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC12CC[NH2+]CC2 ZINC000368155547 300965565 /nfs/dbraw/zinc/96/55/65/300965565.db2.gz OUUKHIKTIRWNHF-CYBMUJFWSA-N 1 0 305.334 1.232 20 5 DDBDRO C[C@@H](CO)[N@@H+]1CCCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000368950327 301108617 /nfs/dbraw/zinc/10/86/17/301108617.db2.gz MEDIJGQWJUOIKM-AWEZNQCLSA-N 1 0 323.393 1.362 20 5 DDBDRO Cc1nc(C)n(C[C@H]2CCC[N@@H+]2CCn2ccc([N+](=O)[O-])n2)n1 ZINC000370024583 301260420 /nfs/dbraw/zinc/26/04/20/301260420.db2.gz ABXQYBUCKAMLMG-CYBMUJFWSA-N 1 0 319.369 1.164 20 5 DDBDRO CC(C)C[N@@H+]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000370163767 301286267 /nfs/dbraw/zinc/28/62/67/301286267.db2.gz UDJBWGGKQOSUDU-UHFFFAOYSA-N 1 0 320.393 1.981 20 5 DDBDRO COc1ccc(C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)cc1[N+](=O)[O-] ZINC000373055491 301655155 /nfs/dbraw/zinc/65/51/55/301655155.db2.gz KFWZWZPDUQCYEJ-PWSUYJOCSA-N 1 0 305.334 1.427 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2C[C@H](C)[C@H]([NH3+])C2)c1C ZINC000447256533 301859179 /nfs/dbraw/zinc/85/91/79/301859179.db2.gz NURDHIJMOLGABD-GXSJLCMTSA-N 1 0 313.379 1.179 20 5 DDBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000375901210 302013129 /nfs/dbraw/zinc/01/31/29/302013129.db2.gz LCRMPXIPYXJENA-YPMHNXCESA-N 1 0 304.350 1.689 20 5 DDBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3cccc([N+](=O)[O-])c3F)[C@H]2C1 ZINC000376729412 302093516 /nfs/dbraw/zinc/09/35/16/302093516.db2.gz PXEDNAJFFKGDME-GWCFXTLKSA-N 1 0 307.325 1.900 20 5 DDBDRO O=C1NC[C@@H]2CN(Cc3ccc(Cl)cc3[N+](=O)[O-])CC[C@H]12 ZINC000377656187 302205429 /nfs/dbraw/zinc/20/54/29/302205429.db2.gz RCVKYVSHQWBVNC-PWSUYJOCSA-N 1 0 309.753 1.816 20 5 DDBDRO C[C@@H]1C[C@H](CO)C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000398742303 302361922 /nfs/dbraw/zinc/36/19/22/302361922.db2.gz WSYVZWMTDHNUPR-MNOVXSKESA-N 1 0 307.350 1.144 20 5 DDBDRO CCO[C@H]1C[C@@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000517359521 302811749 /nfs/dbraw/zinc/81/17/49/302811749.db2.gz GXYFCBRJDLYIJW-UPJWGTAASA-N 1 0 310.350 1.492 20 5 DDBDRO CCc1ccc(S(=O)(=O)N2CC[C@H]([NH3+])[C@@H]2C)cc1[N+](=O)[O-] ZINC000520406484 302862246 /nfs/dbraw/zinc/86/22/46/302862246.db2.gz IJMUQDTYMCNFTD-CABZTGNLSA-N 1 0 313.379 1.267 20 5 DDBDRO CN(C(=O)CN1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000357092794 306870967 /nfs/dbraw/zinc/87/09/67/306870967.db2.gz XMSOQAXMJYDXKQ-OLZOCXBDSA-N 1 0 318.377 1.099 20 5 DDBDRO CC[C@H]1CC[N@@H+]([C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000531025999 303225941 /nfs/dbraw/zinc/22/59/41/303225941.db2.gz SHBZZADJFVZNDX-FZMZJTMJSA-N 1 0 317.345 1.959 20 5 DDBDRO C[C@@H]1C[NH+]([C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C[C@H]1C ZINC000531441813 303245430 /nfs/dbraw/zinc/24/54/30/303245430.db2.gz CWYXEIQKQVCLPK-GYSYKLTISA-N 1 0 317.345 1.815 20 5 DDBDRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531883054 303263219 /nfs/dbraw/zinc/26/32/19/303263219.db2.gz WWQKNFXOOYARCJ-RYUDHWBXSA-N 1 0 306.366 1.983 20 5 DDBDRO CC(C)[NH2+]CCCNC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000562814920 303896569 /nfs/dbraw/zinc/89/65/69/303896569.db2.gz NRJSPJXQOUACPP-UHFFFAOYSA-N 1 0 324.381 1.661 20 5 DDBDRO Cc1cccc(N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c1[N+](=O)[O-] ZINC000364638884 307048979 /nfs/dbraw/zinc/04/89/79/307048979.db2.gz SKPUUWVPDNAHEV-DZGCQCFKSA-N 1 0 305.378 1.939 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H]1CCO[C@@H]1C1CC1 ZINC000365189303 307061195 /nfs/dbraw/zinc/06/11/95/307061195.db2.gz BAXCGHTYRUIMBE-GOEBONIOSA-N 1 0 319.361 1.999 20 5 DDBDRO Nc1c(C(=O)N2CCC[C@H]3C[NH2+]CCC[C@H]32)cccc1[N+](=O)[O-] ZINC000366443143 307074014 /nfs/dbraw/zinc/07/40/14/307074014.db2.gz FSIBWJZPBNTXEP-WCQYABFASA-N 1 0 318.377 1.781 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)CNc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000371555456 307153298 /nfs/dbraw/zinc/15/32/98/307153298.db2.gz UJOFSJKOXGIUOC-DOMZBBRYSA-N 1 0 318.377 1.559 20 5 DDBDRO O=[N+]([O-])c1cnn([C@H]2CCC[N@H+](CCO[C@H]3CCCCO3)C2)c1 ZINC000373107710 307178955 /nfs/dbraw/zinc/17/89/55/307178955.db2.gz WBPSBGHYKJVNMN-ZFWWWQNUSA-N 1 0 324.381 1.971 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000376575956 307248315 /nfs/dbraw/zinc/24/83/15/307248315.db2.gz XRRVOOGMXXXCEK-WFASDCNBSA-N 1 0 318.377 1.997 20 5 DDBDRO CC(C)[N@@H+]1CCO[C@@H](C(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000376660570 307252242 /nfs/dbraw/zinc/25/22/42/307252242.db2.gz OWFXZHNSARVHPS-OAHLLOKOSA-N 1 0 321.377 1.363 20 5 DDBDRO [NH3+]C[C@@H]1CCCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000521976997 307472295 /nfs/dbraw/zinc/47/22/95/307472295.db2.gz PRTADJMSLMGLBG-VIFPVBQESA-N 1 0 307.306 1.134 20 5 DDBDRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000567667248 308088620 /nfs/dbraw/zinc/08/86/20/308088620.db2.gz UAMJKPXVHMBPAU-WPRPVWTQSA-N 1 0 307.306 1.051 20 5 DDBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCN1CCC(O)CC1 ZINC000569867663 308152092 /nfs/dbraw/zinc/15/20/92/308152092.db2.gz MXJCNSCZLCSTOG-OAHLLOKOSA-N 1 0 305.378 1.628 20 5 DDBDRO CCS(=O)(=O)NCC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000573266096 308235211 /nfs/dbraw/zinc/23/52/11/308235211.db2.gz SPLBYJXTWIGHOW-LBPRGKRZSA-N 1 0 313.379 1.111 20 5 DDBDRO COC(=O)c1cc(C)nc(N2CC[C@H](C[NH+](C)C)C2)c1[N+](=O)[O-] ZINC000577213919 308371134 /nfs/dbraw/zinc/37/11/34/308371134.db2.gz MKZKPCWTRANXMS-LLVKDONJSA-N 1 0 322.365 1.473 20 5 DDBDRO COc1ccc(NC(=O)CN2CC[C@@H]([NH3+])C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000578244968 308448832 /nfs/dbraw/zinc/44/88/32/308448832.db2.gz XDJMTCHMOYDYJT-WDEREUQCSA-N 1 0 322.365 1.354 20 5 DDBDRO Cc1ccc(CC[C@@H](C)[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)o1 ZINC000578759714 308483525 /nfs/dbraw/zinc/48/35/25/308483525.db2.gz FYHSCTMINAHACZ-RISCZKNCSA-N 1 0 322.365 1.665 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]Cc2ccc(C3CC3)cc2)c1 ZINC000580185829 308585944 /nfs/dbraw/zinc/58/59/44/308585944.db2.gz YABISZOZIAKNKU-INIZCTEOSA-N 1 0 316.361 1.819 20 5 DDBDRO Cc1nc(N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)ccc1[N+](=O)[O-] ZINC000580294846 308593203 /nfs/dbraw/zinc/59/32/03/308593203.db2.gz XOVPQYSYIOEUFM-DOMZBBRYSA-N 1 0 306.366 1.631 20 5 DDBDRO COc1cc(C(=O)N[C@@H](C)CCC[NH3+])c([N+](=O)[O-])cc1OC ZINC000389796604 325776814 /nfs/dbraw/zinc/77/68/14/325776814.db2.gz IONRWBYPSKWNEV-VIFPVBQESA-N 1 0 311.338 1.469 20 5 DDBDRO CCc1ccc(S(=O)(=O)NC[C@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000584290964 332219910 /nfs/dbraw/zinc/21/99/10/332219910.db2.gz RJLZRNXUSJDSMR-SECBINFHSA-N 1 0 301.368 1.030 20 5 DDBDRO COc1cc(C(=O)NC2(C)CC[NH2+]CC2)c([N+](=O)[O-])cc1OC ZINC000391419402 336957779 /nfs/dbraw/zinc/95/77/79/336957779.db2.gz BCIVJUCKDJRATP-UHFFFAOYSA-N 1 0 323.349 1.484 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000583103065 337240920 /nfs/dbraw/zinc/24/09/20/337240920.db2.gz YOJJSHUXNCAOID-OAHLLOKOSA-N 1 0 306.366 1.491 20 5 DDBDRO C[NH+](C)CCOc1cccc(NC(=O)c2c[nH]nc2[N+](=O)[O-])c1 ZINC000583800768 337334802 /nfs/dbraw/zinc/33/48/02/337334802.db2.gz IBLVDFHGUJDODB-UHFFFAOYSA-N 1 0 319.321 1.511 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CC[C@H]2CCCCO2)c1 ZINC000571672496 484342660 /nfs/dbraw/zinc/34/26/60/484342660.db2.gz ULVDORVXNKEYQF-LSDHHAIUSA-N 1 0 324.377 1.883 20 5 DDBDRO Cc1c(CC(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000422774092 533837372 /nfs/dbraw/zinc/83/73/72/533837372.db2.gz ZZNQMZOZPBATEB-TZMCWYRMSA-N 1 0 305.378 1.950 20 5 DDBDRO COc1ccc(NC(=O)CN2C[C@@H](C)[NH2+][C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000430966081 534079432 /nfs/dbraw/zinc/07/94/32/534079432.db2.gz MGEOMDDKLSGFPX-PHIMTYICSA-N 1 0 322.365 1.224 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@@H](CCCO)C1 ZINC000452130256 534338330 /nfs/dbraw/zinc/33/83/30/534338330.db2.gz NQOUYPBXCGVJHQ-CYBMUJFWSA-N 1 0 321.377 1.936 20 5 DDBDRO CN(CC(=O)NCC[C@H]1CCC[NH2+]C1)c1ccccc1[N+](=O)[O-] ZINC000152722316 522478222 /nfs/dbraw/zinc/47/82/22/522478222.db2.gz HQNIRVGOYCSIJE-CYBMUJFWSA-N 1 0 320.393 1.537 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000457384853 528610988 /nfs/dbraw/zinc/61/09/88/528610988.db2.gz UQQWEPFFLQJYGD-RYUDHWBXSA-N 1 0 319.361 1.675 20 5 DDBDRO CC(C)[N@@H+]1CCCC[C@H]1Cn1cc([N+](=O)[O-])cc(C(N)=O)c1=O ZINC000412995636 529004754 /nfs/dbraw/zinc/00/47/54/529004754.db2.gz ZYKFKHWZSKVALH-NSHDSACASA-N 1 0 322.365 1.118 20 5 DDBDRO CC(C)[C@H]([NH3+])CN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000423276497 529070450 /nfs/dbraw/zinc/07/04/50/529070450.db2.gz OMFKJXDMEVWDEG-HUUCEWRRSA-N 1 0 317.393 1.991 20 5 DDBDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000457141266 529073893 /nfs/dbraw/zinc/07/38/93/529073893.db2.gz ZAOWVKSSWITJQI-LBPRGKRZSA-N 1 0 323.397 1.468 20 5 DDBDRO COCCC[N@H+](CCOC)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000068963683 696378824 /nfs/dbraw/zinc/37/88/24/696378824.db2.gz YCXCQCLWPZCVFA-UHFFFAOYSA-N 1 0 322.365 1.887 20 5 DDBDRO C[NH+](C)CC(C)(C)CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000070671162 696388147 /nfs/dbraw/zinc/38/81/47/696388147.db2.gz XZEAPRMQUPPNDM-UHFFFAOYSA-N 1 0 324.337 1.821 20 5 DDBDRO Cc1cc(C(=O)N(C)CC[NH+]2CCCC2)c(N)c([N+](=O)[O-])c1 ZINC000104899404 696621485 /nfs/dbraw/zinc/62/14/85/696621485.db2.gz PODXMJAVPAHWKH-UHFFFAOYSA-N 1 0 306.366 1.653 20 5 DDBDRO CCCC[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000112310700 696650200 /nfs/dbraw/zinc/65/02/00/696650200.db2.gz AJTLJBKAOARUPC-UHFFFAOYSA-N 1 0 324.337 1.965 20 5 DDBDRO [NH3+][C@@H](CC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)C1CC1 ZINC000123927356 696736707 /nfs/dbraw/zinc/73/67/07/696736707.db2.gz YESTYICYNHNZGI-HNNXBMFYSA-N 1 0 318.377 1.371 20 5 DDBDRO CC[NH+](CC)CCNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000157106061 696973410 /nfs/dbraw/zinc/97/34/10/696973410.db2.gz HVTWEHNGURFYFY-UHFFFAOYSA-N 1 0 319.358 1.354 20 5 DDBDRO Cc1nn(CN2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c(C)c1[N+](=O)[O-] ZINC000164764732 697337113 /nfs/dbraw/zinc/33/71/13/697337113.db2.gz MZAGRNWYCZOTBP-KGLIPLIRSA-N 1 0 307.398 1.782 20 5 DDBDRO C[N@H+](C[C@H]1CCOC1)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000176105384 697401557 /nfs/dbraw/zinc/40/15/57/697401557.db2.gz OHTWCNIRCFIQPZ-GFCCVEGCSA-N 1 0 317.349 1.779 20 5 DDBDRO CC(C)[C@@H](C(=O)OCCn1cc([N+](=O)[O-])cn1)[NH+]1CCCCC1 ZINC000177793179 697417645 /nfs/dbraw/zinc/41/76/45/697417645.db2.gz ONZRPAKTTAJEPM-AWEZNQCLSA-N 1 0 324.381 1.845 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]C[C@H]1C[C@H](NC(=O)C(C)(C)C)C1 ZINC000985061096 697455218 /nfs/dbraw/zinc/45/52/18/697455218.db2.gz QDRHKFLCXRTYDV-XYPYZODXSA-N 1 0 323.397 1.359 20 5 DDBDRO COc1cc(C(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000261882521 698443096 /nfs/dbraw/zinc/44/30/96/698443096.db2.gz MRHNHXVTHJILSR-VHSXEESVSA-N 1 0 323.349 1.421 20 5 DDBDRO CN(C(=O)c1cc([N+](=O)[O-])ccc1N)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000786949629 699182053 /nfs/dbraw/zinc/18/20/53/699182053.db2.gz KLYVINAQOFKZSO-GFCCVEGCSA-N 1 0 304.350 1.486 20 5 DDBDRO Cc1c(C[N@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cnn1C ZINC000790444190 699460017 /nfs/dbraw/zinc/46/00/17/699460017.db2.gz AGFYOQKJGWUBGF-OAHLLOKOSA-N 1 0 304.350 1.802 20 5 DDBDRO C[NH+](C)CCNC(=S)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000739437155 699774499 /nfs/dbraw/zinc/77/44/99/699774499.db2.gz JLGKDPLOAQSLEQ-UHFFFAOYSA-N 1 0 324.450 1.943 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCC[N@H+]1CCC[C@@H]1C ZINC000742238652 699868959 /nfs/dbraw/zinc/86/89/59/699868959.db2.gz GJOIMBORNCWDOA-NSHDSACASA-N 1 0 309.370 1.090 20 5 DDBDRO C[N@H+](CCCN1CCOC1=O)CCc1ccccc1[N+](=O)[O-] ZINC000796111468 699913228 /nfs/dbraw/zinc/91/32/28/699913228.db2.gz GCIPEGASOSKIMK-UHFFFAOYSA-N 1 0 307.350 1.911 20 5 DDBDRO C[C@@H]1OCC[C@H]1[N@H+](CCO)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000796578722 699940023 /nfs/dbraw/zinc/94/00/23/699940023.db2.gz JXQYSNFJMUYYFS-NILFDRSVSA-N 1 0 310.350 1.100 20 5 DDBDRO COC(=O)C[C@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])C1CC1 ZINC000754541881 700510146 /nfs/dbraw/zinc/51/01/46/700510146.db2.gz UQOCHQAZLCUJPY-LBPRGKRZSA-N 1 0 308.334 1.905 20 5 DDBDRO C[NH+](C)CCCNC(=S)NCCc1cccc([N+](=O)[O-])c1 ZINC000758268473 700695644 /nfs/dbraw/zinc/69/56/44/700695644.db2.gz PHTCKZXKARSCBQ-UHFFFAOYSA-N 1 0 310.423 1.553 20 5 DDBDRO C[N@@H+]1CCCC[C@@H]1CCC(=O)OCCn1cc([N+](=O)[O-])cn1 ZINC000803855396 701149701 /nfs/dbraw/zinc/14/97/01/701149701.db2.gz HWJBECALJMSQMX-GFCCVEGCSA-N 1 0 310.354 1.599 20 5 DDBDRO O=[N+]([O-])c1cccc([N+](=O)[O-])c1NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000804396397 701186106 /nfs/dbraw/zinc/18/61/06/701186106.db2.gz HFJVLQHZTHVVKU-GHMZBOCLSA-N 1 0 322.321 1.778 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@@H](CCO)c2ccco2)cc1 ZINC000769223231 701237317 /nfs/dbraw/zinc/23/73/17/701237317.db2.gz SOJPSENLYUKFRH-KBPBESRZSA-N 1 0 306.318 1.935 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H](CCO)c2ccco2)cc1 ZINC000769223236 701237339 /nfs/dbraw/zinc/23/73/39/701237339.db2.gz SOJPSENLYUKFRH-UONOGXRCSA-N 1 0 306.318 1.935 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@H](CCO)C2CC2)c1 ZINC000771801343 701331357 /nfs/dbraw/zinc/33/13/57/701331357.db2.gz RUFSCFLRDGRNKN-DZGCQCFKSA-N 1 0 310.350 1.085 20 5 DDBDRO CC(C)COC[C@H](O)C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815564324 701897396 /nfs/dbraw/zinc/89/73/96/701897396.db2.gz FWTFINRNWLQRFJ-DGCLKSJQSA-N 1 0 311.382 1.861 20 5 DDBDRO CN(C)C(=O)[C@@H]1CC[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000840181060 702015680 /nfs/dbraw/zinc/01/56/80/702015680.db2.gz YXKRUDQWYGQPTG-LLVKDONJSA-N 1 0 317.349 1.312 20 5 DDBDRO C[NH+](C)[C@H]1CCCN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000831116055 706637728 /nfs/dbraw/zinc/63/77/28/706637728.db2.gz UUFOMTAWTLUAOH-ZFWWWQNUSA-N 1 0 321.377 1.571 20 5 DDBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000817679667 702449124 /nfs/dbraw/zinc/44/91/24/702449124.db2.gz VGRZZAXPJSTLFH-SECBINFHSA-N 1 0 310.329 1.482 20 5 DDBDRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000817993060 702546345 /nfs/dbraw/zinc/54/63/45/702546345.db2.gz XZPDAALAKWNMIP-CPCISQLKSA-N 1 0 315.732 1.878 20 5 DDBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1CCC(=O)N(C)C1=O ZINC000866378823 706685383 /nfs/dbraw/zinc/68/53/83/706685383.db2.gz CRFSDYHVEIOSKA-SKDRFNHKSA-N 1 0 323.324 1.402 20 5 DDBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)CC[NH3+] ZINC000842791823 702774412 /nfs/dbraw/zinc/77/44/12/702774412.db2.gz YCFQKIOMBOBWRC-MRVPVSSYSA-N 1 0 321.786 1.572 20 5 DDBDRO Cc1cc(Cl)c(S(=O)(=O)N[C@H]2C[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000842801163 702776048 /nfs/dbraw/zinc/77/60/48/702776048.db2.gz DYMVZGNKVOGLSM-OCAPTIKFSA-N 1 0 319.770 1.325 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCCCCCC[NH3+] ZINC000842921279 702791112 /nfs/dbraw/zinc/79/11/12/702791112.db2.gz FQKDZOANMGFTDT-UHFFFAOYSA-N 1 0 315.395 1.701 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H]2CCCC(F)(F)[C@H]2O)cc1 ZINC000843114516 702821786 /nfs/dbraw/zinc/82/17/86/702821786.db2.gz HLLVJYRTBIIANC-UPJWGTAASA-N 1 0 316.304 1.767 20 5 DDBDRO CC[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H](O)C(F)F ZINC000843116346 702822170 /nfs/dbraw/zinc/82/21/70/702822170.db2.gz WNFGJHJOFYIKAW-TUAOUCFPSA-N 1 0 304.293 1.622 20 5 DDBDRO COc1cc(Cc2noc(C(C)(C)C[NH3+])n2)ccc1[N+](=O)[O-] ZINC000843191930 702838198 /nfs/dbraw/zinc/83/81/98/702838198.db2.gz OLTRGDAHZHXYOS-UHFFFAOYSA-N 1 0 306.322 1.814 20 5 DDBDRO Cc1nc([N+](=O)[O-])c(-c2noc([C@@H]3CC34CC[NH2+]CC4)n2)n1C ZINC000843221552 702844751 /nfs/dbraw/zinc/84/47/51/702844751.db2.gz JKTDGDJFPOZPLV-VIFPVBQESA-N 1 0 318.337 1.544 20 5 DDBDRO Cc1cc(F)cc(C(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)c1[N+](=O)[O-] ZINC000843356761 702865930 /nfs/dbraw/zinc/86/59/30/702865930.db2.gz AMCCWUWFOGVYMO-SKDRFNHKSA-N 1 0 311.313 1.231 20 5 DDBDRO CC[NH+](CC)[C@H](C)CNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000831494535 706719273 /nfs/dbraw/zinc/71/92/73/706719273.db2.gz BNASEDWJJYKBQD-BXUZGUMPSA-N 1 0 309.366 1.475 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(C[C@H](O)c3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000879580628 706727102 /nfs/dbraw/zinc/72/71/02/706727102.db2.gz IPUKDFVUHYLSFV-KBMXLJTQSA-N 1 0 305.378 1.654 20 5 DDBDRO C[C@@H](CNC(=O)c1ccnc(N)c1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000847366118 703407951 /nfs/dbraw/zinc/40/79/51/703407951.db2.gz CLTSEBWBYRDQLK-JTQLQIEISA-N 1 0 307.354 1.176 20 5 DDBDRO COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000831673932 706751199 /nfs/dbraw/zinc/75/11/99/706751199.db2.gz FOABJHSIEWNBAJ-ILXRZTDVSA-N 1 0 322.361 1.950 20 5 DDBDRO O=[N+]([O-])c1ccc(Cc2noc([C@H]3C[C@]34CCC[NH2+]C4)n2)nc1 ZINC000848624182 703569494 /nfs/dbraw/zinc/56/94/94/703569494.db2.gz RKYRFWMMZQJDSW-DOMZBBRYSA-N 1 0 315.333 1.821 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]Cc2noc3ccccc23)c1 ZINC000848676475 703574490 /nfs/dbraw/zinc/57/44/90/703574490.db2.gz VDKPGLGVPLDBOZ-LLVKDONJSA-N 1 0 317.305 1.083 20 5 DDBDRO CCO[C@H](CNC(=O)c1c(F)cccc1[N+](=O)[O-])C[NH+](C)C ZINC000831701319 706756682 /nfs/dbraw/zinc/75/66/82/706756682.db2.gz AICOWUUSRSGMFL-SNVBAGLBSA-N 1 0 313.329 1.430 20 5 DDBDRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000869784094 703852233 /nfs/dbraw/zinc/85/22/33/703852233.db2.gz HEAQCNMTUXIJMB-NSHDSACASA-N 1 0 307.350 1.170 20 5 DDBDRO CC1(C)OC[C@H](C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)O1 ZINC000851843157 703868630 /nfs/dbraw/zinc/86/86/30/703868630.db2.gz ATWWYMWDOLCOQL-YPMHNXCESA-N 1 0 322.365 1.628 20 5 DDBDRO Nc1ccc(C(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000831734486 706766074 /nfs/dbraw/zinc/76/60/74/706766074.db2.gz HEIXRHOPNHBKNF-STQMWFEESA-N 1 0 318.377 1.639 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000818593819 703933768 /nfs/dbraw/zinc/93/37/68/703933768.db2.gz OQBNMROKAXLCQO-HNNXBMFYSA-N 1 0 306.366 1.472 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)CN[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000818959297 704035083 /nfs/dbraw/zinc/03/50/83/704035083.db2.gz HQCBESFHOLHNNH-OWCLPIDISA-N 1 0 305.378 1.845 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCOC[C@H]2CCOC2)c1 ZINC000819046470 704057910 /nfs/dbraw/zinc/05/79/10/704057910.db2.gz PFKQMBDBRRZFCP-WFASDCNBSA-N 1 0 310.350 1.271 20 5 DDBDRO CO[C@H](C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000819067241 704064489 /nfs/dbraw/zinc/06/44/89/704064489.db2.gz HJWFZSGFRAGHMC-GHMZBOCLSA-N 1 0 308.256 1.795 20 5 DDBDRO COC(=O)N(C)CC[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000852571567 704078126 /nfs/dbraw/zinc/07/81/26/704078126.db2.gz VTVNDCZJMUSNBG-UHFFFAOYSA-N 1 0 311.338 1.604 20 5 DDBDRO CCNC(=O)C1(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CCC1 ZINC000819260497 704096136 /nfs/dbraw/zinc/09/61/36/704096136.db2.gz UAKTVDFINGYQJP-AWEZNQCLSA-N 1 0 321.377 1.524 20 5 DDBDRO Cc1cccc(OS(=O)(=O)CCC[NH+](C)C)c1[N+](=O)[O-] ZINC000867011628 706871446 /nfs/dbraw/zinc/87/14/46/706871446.db2.gz TZPPLIRAHZKLGL-UHFFFAOYSA-N 1 0 302.352 1.564 20 5 DDBDRO C[NH+](C)[C@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000853411608 704238898 /nfs/dbraw/zinc/23/88/98/704238898.db2.gz OSRXICZUWUTYNF-JQWIXIFHSA-N 1 0 306.366 1.978 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@H](C)[C@@H]1CN(C)CCO1 ZINC000821091297 704370906 /nfs/dbraw/zinc/37/09/06/704370906.db2.gz AQQQGTGLIQSUEJ-OCCSQVGLSA-N 1 0 321.377 1.661 20 5 DDBDRO C[NH+](C)CCC[C@H]1CN(C(=O)CCC(C)(C)[N+](=O)[O-])CCO1 ZINC000856429436 704528503 /nfs/dbraw/zinc/52/85/03/704528503.db2.gz GKSWENSMKZGVMG-ZDUSSCGKSA-N 1 0 315.414 1.391 20 5 DDBDRO CC(C)[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC[NH2+]1 ZINC000856490171 704531068 /nfs/dbraw/zinc/53/10/68/704531068.db2.gz XGOIBQHOLVICQO-LBPRGKRZSA-N 1 0 310.329 1.386 20 5 DDBDRO C[NH+](C)C1CC(NC(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000857229103 704566527 /nfs/dbraw/zinc/56/65/27/704566527.db2.gz JIGOZOQKYWIBIU-UHFFFAOYSA-N 1 0 309.391 1.896 20 5 DDBDRO [NH3+]C/C=C\CNC(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857764835 704621925 /nfs/dbraw/zinc/62/19/25/704621925.db2.gz BPBKMYYXXKLJRD-UPHRSURJSA-N 1 0 301.249 1.198 20 5 DDBDRO CC[C@@H]1CN(c2ccc(CC(=O)OC)cc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000858822165 704761493 /nfs/dbraw/zinc/76/14/93/704761493.db2.gz IOGAMZWOVWKKQR-WCQYABFASA-N 1 0 321.377 1.887 20 5 DDBDRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000874834925 705192348 /nfs/dbraw/zinc/19/23/48/705192348.db2.gz VSDQGCGDVDSDSB-RYUDHWBXSA-N 1 0 304.350 1.486 20 5 DDBDRO Nc1ccc(NC(=O)N2CC[C@H]([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000823998908 705352196 /nfs/dbraw/zinc/35/21/96/705352196.db2.gz WSCQONHONAJDQY-LBPRGKRZSA-N 1 0 319.365 1.879 20 5 DDBDRO O=C(/C=C/[C@H]1CCC[NH2+]C1)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000876658523 705805917 /nfs/dbraw/zinc/80/59/17/705805917.db2.gz YCAIOOBIZBQPBI-ZHAHRWAOSA-N 1 0 319.361 1.646 20 5 DDBDRO COCC[N@@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2F)C1 ZINC000826796585 705873670 /nfs/dbraw/zinc/87/36/70/705873670.db2.gz LJFDZXIWHZCJEQ-SNVBAGLBSA-N 1 0 311.313 1.184 20 5 DDBDRO CCO[C@@H]1CN(C(=O)c2c(C)ccc([N+](=O)[O-])c2C)C[C@H]1C[NH3+] ZINC000876949442 705934928 /nfs/dbraw/zinc/93/49/28/705934928.db2.gz RQGXMROHVIEHNO-TZMCWYRMSA-N 1 0 321.377 1.647 20 5 DDBDRO COC(=O)C1=CC[C@@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000863572308 705961286 /nfs/dbraw/zinc/96/12/86/705961286.db2.gz NFWNZQSWROJFKL-TZMCWYRMSA-N 1 0 306.318 1.480 20 5 DDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@H](CO)c3cccc(F)c3)C2)c1 ZINC000877035229 705967451 /nfs/dbraw/zinc/96/74/51/705967451.db2.gz FDSBIRYYZQEYJZ-SSDMNJCBSA-N 1 0 320.324 1.957 20 5 DDBDRO CNc1ccc(C(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000827366712 705986724 /nfs/dbraw/zinc/98/67/24/705986724.db2.gz OHOYIEYVMKANON-OCCSQVGLSA-N 1 0 318.377 1.803 20 5 DDBDRO COC1(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CCOCC1 ZINC000877113699 705987415 /nfs/dbraw/zinc/98/74/15/705987415.db2.gz OSLLFMWMHMOCDC-UHFFFAOYSA-N 1 0 310.354 1.280 20 5 DDBDRO Cc1cc(F)cc(C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)c1[N+](=O)[O-] ZINC000877375529 706085742 /nfs/dbraw/zinc/08/57/42/706085742.db2.gz UPKAHVFZRIALBE-ZUZCIYMTSA-N 1 0 307.325 1.724 20 5 DDBDRO O=C(COc1ccccc1[N+](=O)[O-])N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000877400895 706096864 /nfs/dbraw/zinc/09/68/64/706096864.db2.gz XZWFUGCDOLKJTF-HIFRSBDPSA-N 1 0 305.334 1.374 20 5 DDBDRO O=C(NC12CC[NH+](CC1)C2)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000828009393 706102983 /nfs/dbraw/zinc/10/29/83/706102983.db2.gz FQSHMXAJEULYLK-ZIAGYGMSSA-N 1 0 301.346 1.663 20 5 DDBDRO COC(=O)[C@]1(OC)CC[N@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000877652127 706170617 /nfs/dbraw/zinc/17/06/17/706170617.db2.gz BFVNYHDZINXWDY-INIZCTEOSA-N 1 0 322.361 1.976 20 5 DDBDRO CONC(=O)C1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000877786693 706211889 /nfs/dbraw/zinc/21/18/89/706211889.db2.gz UGVRJPVDKIOHHY-XQRVVYSFSA-N 1 0 319.361 1.998 20 5 DDBDRO O=C(Cc1cccc(F)c1[N+](=O)[O-])NCC[NH+]1CCCCC1 ZINC000864880150 706290555 /nfs/dbraw/zinc/29/05/55/706290555.db2.gz RSWWYMWZWPECII-UHFFFAOYSA-N 1 0 309.341 1.879 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](CCn3cnnn3)C2)cc1 ZINC000878679164 706466738 /nfs/dbraw/zinc/46/67/38/706466738.db2.gz ULIHYFPWEAMHIC-ZDUSSCGKSA-N 1 0 302.338 1.461 20 5 DDBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000865997290 706588816 /nfs/dbraw/zinc/58/88/16/706588816.db2.gz XTFNRWSEMAPVTL-NSHDSACASA-N 1 0 311.386 1.377 20 5 DDBDRO Cc1c(C(=O)N2CCC[C@H](C[NH3+])C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000832451471 706916816 /nfs/dbraw/zinc/91/68/16/706916816.db2.gz CBAGWQSZMOEYPO-SNVBAGLBSA-N 1 0 322.321 1.622 20 5 DDBDRO [NH3+]C[C@@H]1CCCN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000832452448 706916898 /nfs/dbraw/zinc/91/68/98/706916898.db2.gz MFPVHAMBKDUWHO-NSHDSACASA-N 1 0 317.349 1.142 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@@H]1CCC[C@]12CCCO2 ZINC000880503617 706996765 /nfs/dbraw/zinc/99/67/65/706996765.db2.gz CYLBNYSCNJTHMI-HIFRSBDPSA-N 1 0 307.350 1.448 20 5 DDBDRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000832908243 706997629 /nfs/dbraw/zinc/99/76/29/706997629.db2.gz HJAFSZMXKGDSKJ-RISCZKNCSA-N 1 0 309.366 1.473 20 5 DDBDRO C[C@@H]1CCC[C@H](C2C[NH+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)C1 ZINC000871991038 707271774 /nfs/dbraw/zinc/27/17/74/707271774.db2.gz NLVFWBYFIKQCBZ-WWGRRREGSA-N 1 0 322.409 1.910 20 5 DDBDRO CCc1nn(C)c(N2CCC(C)([NH+]3CCC3)CC2)c1[N+](=O)[O-] ZINC000882964185 707876516 /nfs/dbraw/zinc/87/65/16/707876516.db2.gz VNIXOWQSWFRFKD-UHFFFAOYSA-N 1 0 307.398 1.955 20 5 DDBDRO CCN1CCC[C@@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C1=O ZINC000896729438 708133734 /nfs/dbraw/zinc/13/37/34/708133734.db2.gz PHSGARJYOVIZBA-GCZXYKMCSA-N 1 0 307.354 1.095 20 5 DDBDRO C[NH+]1CCC2(CCN2c2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000897133551 708236883 /nfs/dbraw/zinc/23/68/83/708236883.db2.gz LHFHZKCCQVNRPT-UHFFFAOYSA-N 1 0 304.350 1.368 20 5 DDBDRO O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000885855207 708640274 /nfs/dbraw/zinc/64/02/74/708640274.db2.gz LCURRHHWJRFSGG-HNNXBMFYSA-N 1 0 319.361 1.578 20 5 DDBDRO COc1cccc(C(=O)N2CC([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000898603740 708806930 /nfs/dbraw/zinc/80/69/30/708806930.db2.gz CIQOCWKMXWOGFF-UHFFFAOYSA-N 1 0 305.334 1.524 20 5 DDBDRO CCN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@@H]1CC[NH2+]C1 ZINC000886848381 708862221 /nfs/dbraw/zinc/86/22/21/708862221.db2.gz AFJIHFNNNQKQLC-GFCCVEGCSA-N 1 0 324.356 1.746 20 5 DDBDRO CCN(CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000886854312 708865176 /nfs/dbraw/zinc/86/51/76/708865176.db2.gz JDIOUDMEWQKETA-LBPRGKRZSA-N 1 0 306.366 1.607 20 5 DDBDRO C[NH+](C)[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cn2)C12CCC2 ZINC000898834770 708883849 /nfs/dbraw/zinc/88/38/49/708883849.db2.gz IIVQRUBOMMLUMA-STQMWFEESA-N 1 0 304.350 1.592 20 5 DDBDRO COc1ccc(NC(=O)NC[C@@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000887961349 709181325 /nfs/dbraw/zinc/18/13/25/709181325.db2.gz MIMIZWSRHBRMET-SNVBAGLBSA-N 1 0 310.354 1.923 20 5 DDBDRO C[N@@H+]1CCC[C@@](O)(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000900098996 709288811 /nfs/dbraw/zinc/28/88/11/709288811.db2.gz LMOVQGIJKTXQKY-MRXNPFEDSA-N 1 0 319.361 1.331 20 5 DDBDRO CCc1n[nH]c(C(=O)N2CCC[N@@H+](CC)C[C@@H]2C)c1[N+](=O)[O-] ZINC000910286365 709867194 /nfs/dbraw/zinc/86/71/94/709867194.db2.gz GPTVXIKTWPKVDJ-JTQLQIEISA-N 1 0 309.370 1.437 20 5 DDBDRO CC[N@@H+]1CCCN(C(=O)Cn2cc([N+](=O)[O-])nc2C)[C@@H](C)C1 ZINC000910289183 709869120 /nfs/dbraw/zinc/86/91/20/709869120.db2.gz QFHRXHJMZUCYSU-NSHDSACASA-N 1 0 309.370 1.042 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000891397032 710184185 /nfs/dbraw/zinc/18/41/85/710184185.db2.gz QSSBGRZINGQGSB-TXEJJXNPSA-N 1 0 320.349 1.249 20 5 DDBDRO Cc1c(CNC(=O)N[C@]23CCC[C@H]2[NH2+]CC3)cccc1[N+](=O)[O-] ZINC000891848653 710308549 /nfs/dbraw/zinc/30/85/49/710308549.db2.gz KABYMDNKPGFSIO-ZBFHGGJFSA-N 1 0 318.377 1.987 20 5 DDBDRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000892281123 710409302 /nfs/dbraw/zinc/40/93/02/710409302.db2.gz OLPURJAXRVMEBN-QWHCGFSZSA-N 1 0 306.366 1.843 20 5 DDBDRO C[C@@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000893015491 710541729 /nfs/dbraw/zinc/54/17/29/710541729.db2.gz SSZIEWKEXDUYBI-VXGBXAGGSA-N 1 0 323.397 1.663 20 5 DDBDRO C[C@@H]1[C@H](NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC[N@@H+]1C ZINC000928434469 713194529 /nfs/dbraw/zinc/19/45/29/713194529.db2.gz DZEZKJQHPJYNKJ-PSASIEDQSA-N 1 0 307.306 1.146 20 5 DDBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCN(C)[C@H]1C ZINC000903302542 711094602 /nfs/dbraw/zinc/09/46/02/711094602.db2.gz CSCKRBILQNFLFH-TYNCELHUSA-N 1 0 320.393 1.994 20 5 DDBDRO O=C(CCN[C@@H]1CC[NH2+]C12CCC2)Nc1ccccc1[N+](=O)[O-] ZINC000903469043 711136141 /nfs/dbraw/zinc/13/61/41/711136141.db2.gz PQINUCUNWJRPRX-CQSZACIVSA-N 1 0 318.377 1.798 20 5 DDBDRO C[N@@H+]1C[C@@]2(C)CN(c3ccc([N+](=O)[O-])c(C(N)=O)c3)C[C@@]2(C)C1 ZINC000894800343 711275620 /nfs/dbraw/zinc/27/56/20/711275620.db2.gz CSBKZJGDPCOQEP-IYBDPMFKSA-N 1 0 318.377 1.472 20 5 DDBDRO O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CC([NH+]2CCCC2)C1 ZINC000912327564 711281419 /nfs/dbraw/zinc/28/14/19/711281419.db2.gz SFPYQNLUQQMLGF-UHFFFAOYSA-N 1 0 319.317 1.244 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC[C@@]12CC[NH2+]C2 ZINC000903871326 711310607 /nfs/dbraw/zinc/31/06/07/711310607.db2.gz SEZCWAQMGMFFHO-CJNGLKHVSA-N 1 0 321.377 1.162 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000895191091 711449048 /nfs/dbraw/zinc/44/90/48/711449048.db2.gz GZTQBMYBIRRXJR-CMPLNLGQSA-N 1 0 304.350 1.367 20 5 DDBDRO COc1c(O)ccc(C[N@@H+]2CC[C@@H]3COC[C@@H]3C2)c1[N+](=O)[O-] ZINC000895444164 711513942 /nfs/dbraw/zinc/51/39/42/711513942.db2.gz RFGFWHZJYRQKMC-NEPJUHHUSA-N 1 0 308.334 1.777 20 5 DDBDRO Cc1ccc(C[NH2+][C@@H]2C(=O)NCC23CCOCC3)cc1[N+](=O)[O-] ZINC000895773094 711602855 /nfs/dbraw/zinc/60/28/55/711602855.db2.gz NYMONZUQFVNSLS-CQSZACIVSA-N 1 0 319.361 1.288 20 5 DDBDRO CCO[C@H](CNc1ncnc2ccc([N+](=O)[O-])cc21)C[NH+](C)C ZINC000896117394 711678656 /nfs/dbraw/zinc/67/86/56/711678656.db2.gz MYVQQUJCYNLVGY-GFCCVEGCSA-N 1 0 319.365 1.917 20 5 DDBDRO Cc1ccc(CNC(=O)N2CC[C@@H]3C[N@@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000896219940 711693537 /nfs/dbraw/zinc/69/35/37/711693537.db2.gz JMEWOKOFZXWPCK-HIFRSBDPSA-N 1 0 318.377 1.749 20 5 DDBDRO CC(C)O[C@]1(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCOC1 ZINC000905558684 712077282 /nfs/dbraw/zinc/07/72/82/712077282.db2.gz UBCZFMSQMRNUCV-CVEARBPZSA-N 1 0 324.377 1.802 20 5 DDBDRO Cc1cc(CC[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)nn1C ZINC000905559657 712077797 /nfs/dbraw/zinc/07/77/97/712077797.db2.gz GGUDCGZSSPDREL-HNNXBMFYSA-N 1 0 304.350 1.502 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@H]2C[C@@H]3COC[C@@H]3O2)cc1 ZINC000905572996 712082523 /nfs/dbraw/zinc/08/25/23/712082523.db2.gz SVNNADQRZUGXCC-NGFQHRJXSA-N 1 0 308.334 1.022 20 5 DDBDRO C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(Cl)c(N)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000908350610 712749332 /nfs/dbraw/zinc/74/93/32/712749332.db2.gz ZUTSADOXPZLUGX-QPUJVOFHSA-N 1 0 324.768 1.607 20 5 DDBDRO C[C@H](NC(=O)C[C@]1(O)CCC[N@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000908512396 712793399 /nfs/dbraw/zinc/79/33/99/712793399.db2.gz LCRNYMGACGYMND-BLLLJJGKSA-N 1 0 321.377 1.619 20 5 DDBDRO COc1ccc(CNC(=O)NC[C@@H]2CC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000914300117 713373013 /nfs/dbraw/zinc/37/30/13/713373013.db2.gz KDRVQOSGVGNCPU-NSHDSACASA-N 1 0 308.338 1.107 20 5 DDBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)[NH+]1CCCCC1 ZINC000920457581 713671346 /nfs/dbraw/zinc/67/13/46/713671346.db2.gz AICZSHNBWSWQBL-SNVBAGLBSA-N 1 0 308.338 1.300 20 5 DDBDRO COCC[NH+]1CCC(Nc2nc3ccccn3c2[N+](=O)[O-])CC1 ZINC000920759857 713692196 /nfs/dbraw/zinc/69/21/96/713692196.db2.gz IISHJCMLTZUROJ-UHFFFAOYSA-N 1 0 319.365 1.765 20 5 DDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931281279 714056310 /nfs/dbraw/zinc/05/63/10/714056310.db2.gz PWONKJFTVCSPLX-RABLLNBGSA-N 1 0 318.377 1.414 20 5 DDBDRO C[C@](CO)([NH2+]CCO[C@@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000931469798 714104999 /nfs/dbraw/zinc/10/49/99/714104999.db2.gz YCYUEJKNSRXBSW-HUUCEWRRSA-N 1 0 310.350 1.197 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCO[C@@H]1CCOC1 ZINC000922938626 714192456 /nfs/dbraw/zinc/19/24/56/714192456.db2.gz GYQOVGFKTYEARE-CQSZACIVSA-N 1 0 310.350 1.889 20 5 DDBDRO [NH3+][C@@H]1CCN(Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000923277915 714294675 /nfs/dbraw/zinc/29/46/75/714294675.db2.gz NEYPCGJXAYQFOH-SECBINFHSA-N 1 0 300.156 1.890 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)CN(C1CC1)[C@H]1CC[NH2+]C1 ZINC000923328763 714316248 /nfs/dbraw/zinc/31/62/48/714316248.db2.gz CTUGFSJHHURMDF-KBPBESRZSA-N 1 0 321.377 1.161 20 5 DDBDRO COc1ccc(CN2CCC[C@H]([NH2+]CCO)C2)cc1[N+](=O)[O-] ZINC000923406684 714345601 /nfs/dbraw/zinc/34/56/01/714345601.db2.gz XQHZSVLKMOHHAO-ZDUSSCGKSA-N 1 0 309.366 1.150 20 5 DDBDRO C[NH2+]C[C@H]1CCCCN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000923422685 714350941 /nfs/dbraw/zinc/35/09/41/714350941.db2.gz IVDHQPOUDKHUFI-KGLIPLIRSA-N 1 0 323.393 1.408 20 5 DDBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)Cn1c(C)ncc1[N+](=O)[O-] ZINC000932514186 714352092 /nfs/dbraw/zinc/35/20/92/714352092.db2.gz OGBLDYKTRUTZGI-LBPRGKRZSA-N 1 0 309.370 1.090 20 5 DDBDRO C[NH+]1CCC(OCC(=O)OCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000923792454 714471881 /nfs/dbraw/zinc/47/18/81/714471881.db2.gz OXMJASKNCZZZIU-UHFFFAOYSA-N 1 0 322.361 1.791 20 5 DDBDRO O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@H]3[C@H]2CCCN3CCO)cc1 ZINC000934259197 714778220 /nfs/dbraw/zinc/77/82/20/714778220.db2.gz HHRNWSJIZRUSNC-SJORKVTESA-N 1 0 319.405 1.668 20 5 DDBDRO C[C@@H]1[C@H](NC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)CC[N@@H+]1C ZINC000925333467 714815267 /nfs/dbraw/zinc/81/52/67/714815267.db2.gz FCMYAZQJCBSDHA-BXUZGUMPSA-N 1 0 318.377 1.755 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCCC[C@@H]([C@H]3CCOC3)C2)c1 ZINC000934832312 714912869 /nfs/dbraw/zinc/91/28/69/714912869.db2.gz AXMPUKYQDCYDRH-KGLIPLIRSA-N 1 0 308.382 1.930 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000934951505 714937013 /nfs/dbraw/zinc/93/70/13/714937013.db2.gz OUSWEQNSECMHQU-QWHCGFSZSA-N 1 0 321.381 1.042 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000935361737 715036903 /nfs/dbraw/zinc/03/69/03/715036903.db2.gz ZUGCKDMKKPSVKC-LBPRGKRZSA-N 1 0 323.397 1.480 20 5 DDBDRO c1cnc2c(c1)ccc1ccc(N3CCN4CC[NH2+]C[C@H]4C3)nc12 ZINC001164392849 718831144 /nfs/dbraw/zinc/83/11/44/718831144.db2.gz RRYHADQEQLINCW-INIZCTEOSA-N 1 0 319.412 1.877 20 5 DDBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CC[NH+](C2CCCC2)CC1 ZINC001165029325 721858326 /nfs/dbraw/zinc/85/83/26/721858326.db2.gz XKGASCWTVGDPSI-UHFFFAOYSA-N 1 0 306.366 1.601 20 5 DDBDRO C[NH2+]Cc1c(C)nn(-c2ncc([N+](=O)[O-])cc2C(=O)OC)c1C ZINC001167098049 732599124 /nfs/dbraw/zinc/59/91/24/732599124.db2.gz AMNZJAVYOJSWOI-UHFFFAOYSA-N 1 0 319.321 1.298 20 5 DDBDRO C[NH2+]Cc1c(C)nn(-c2nc(OC)nc(C)c2[N+](=O)[O-])c1C ZINC001167099459 732613178 /nfs/dbraw/zinc/61/31/78/732613178.db2.gz XKKOSCZHDKSDDS-UHFFFAOYSA-N 1 0 306.326 1.224 20 5 DDBDRO C[NH2+]Cc1c(C)nn(-c2nc(C)cc(OC)c2[N+](=O)[O-])c1C ZINC001167099510 732613559 /nfs/dbraw/zinc/61/35/59/732613559.db2.gz ZIZKKDVDLXQYPG-UHFFFAOYSA-N 1 0 305.338 1.829 20 5 DDBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccc(Cl)nc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001022061853 734367694 /nfs/dbraw/zinc/36/76/94/734367694.db2.gz YAHMUJIAOVBVOF-WRWGMCAJSA-N 1 0 324.768 1.137 20 5 DDBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)c1cnco1 ZINC001022513637 734576148 /nfs/dbraw/zinc/57/61/48/734576148.db2.gz RCVURUQCFCPNMY-TXEJJXNPSA-N 1 0 316.317 1.633 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCCC[C@H]2[NH+](C)C)n1 ZINC001125817205 736216298 /nfs/dbraw/zinc/21/62/98/736216298.db2.gz HOUVTVIZGWRTDX-GHMZBOCLSA-N 1 0 309.370 1.414 20 5 DDBDRO O=[N+]([O-])c1cc(Cl)[n+]([O-])cc1NCCN1CCSCC1 ZINC001167833076 738957215 /nfs/dbraw/zinc/95/72/15/738957215.db2.gz YEPHMTSEIRKBFJ-UHFFFAOYSA-N 1 0 318.786 1.342 20 5 DDBDRO O=C(NCC[NH2+]Cc1cc2ccccc2s1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126936573 742841392 /nfs/dbraw/zinc/84/13/92/742841392.db2.gz MAEKSHBMZRXVIF-CHWSQXEVSA-N 1 0 319.386 1.772 20 5 DDBDRO Cn1nccc1C[C@@H]1CCC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC001198821324 747623945 /nfs/dbraw/zinc/62/39/45/747623945.db2.gz QWKHLBRBSVCGSN-AWEZNQCLSA-N 1 0 301.350 1.930 20 5 DDBDRO CN1CC[NH+](C2CCN(c3ncccc3[N+](=O)[O-])CC2)CC1 ZINC000866212521 749159238 /nfs/dbraw/zinc/15/92/38/749159238.db2.gz LCGAOVFXYWVBOV-UHFFFAOYSA-N 1 0 305.382 1.206 20 5 DDBDRO Cc1nc(NC/C=C\CNC(=O)CC[NH+](C)C)ccc1[N+](=O)[O-] ZINC001107490003 750045119 /nfs/dbraw/zinc/04/51/19/750045119.db2.gz PCSVUUPMFMAGML-PLNGDYQASA-N 1 0 321.381 1.334 20 5 DDBDRO C[NH+](C)CCC(=O)N[C@H]1C[C@H](CNc2ccc([N+](=O)[O-])cc2)C1 ZINC001114813652 751115642 /nfs/dbraw/zinc/11/56/42/751115642.db2.gz LZSZCPDPRCXZIJ-MQMHXKEQSA-N 1 0 320.393 1.853 20 5 DDBDRO CCOC(=O)c1ccc(-n2cc(CC[NH3+])cn2)c([N+](=O)[O-])c1 ZINC001168951990 762141438 /nfs/dbraw/zinc/14/14/38/762141438.db2.gz ANFUHTYGBYQTEV-UHFFFAOYSA-N 1 0 304.306 1.458 20 5 DDBDRO O=C(NCC[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)Nc1ccccc1 ZINC001168979548 762148702 /nfs/dbraw/zinc/14/87/02/762148702.db2.gz ZDRSSGPGJOEOTR-TZMCWYRMSA-N 1 0 306.366 1.843 20 5 DDBDRO O=C(N1CCCC1)N1CCC([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168968073 762158331 /nfs/dbraw/zinc/15/83/31/762158331.db2.gz VGIMVFPXZKRMEW-UKRRQHHQSA-N 1 0 324.425 1.702 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2ccnn2CC(F)(F)F)C1 ZINC001168998139 762169721 /nfs/dbraw/zinc/16/97/21/762169721.db2.gz ISDQLMWMVMFHGJ-NXEZZACHSA-N 1 0 306.288 1.980 20 5 DDBDRO CS(=O)(=O)c1ccccc1C[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168986963 762179706 /nfs/dbraw/zinc/17/97/06/762179706.db2.gz GQVOZIIQFFGKSJ-YPMHNXCESA-N 1 0 312.391 1.625 20 5 DDBDRO N[C@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168986904 762179877 /nfs/dbraw/zinc/17/98/77/762179877.db2.gz FZMZSYHIGDIGKU-NCOADZHNSA-N 1 0 318.421 1.233 20 5 DDBDRO COc1cc(N2CC[NH+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)ncn1 ZINC001169041027 762194624 /nfs/dbraw/zinc/19/46/24/762194624.db2.gz ANSXZRGHAKJULM-OLZOCXBDSA-N 1 0 321.381 1.053 20 5 DDBDRO CCOC[C@@H]1C[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)Cc2cnn(C)c21 ZINC001169018948 762199422 /nfs/dbraw/zinc/19/94/22/762199422.db2.gz FROZHUPOLHAYDY-AEGPPILISA-N 1 0 322.409 1.801 20 5 DDBDRO COC(=O)c1c(C)c([N+](=O)[O-])ccc1-n1ccc([C@H](C)[NH3+])n1 ZINC001169235580 762289619 /nfs/dbraw/zinc/28/96/19/762289619.db2.gz XJFWXSAYNYRKHW-VIFPVBQESA-N 1 0 304.306 1.895 20 5 DDBDRO CNc1cc([N+](=O)[O-])cnc1-n1cc(CC[NH3+])c2ncccc21 ZINC001169706198 762613938 /nfs/dbraw/zinc/61/39/38/762613938.db2.gz OQSPBDQGHODDRD-UHFFFAOYSA-N 1 0 312.333 1.872 20 5 DDBDRO O=[N+]([O-])c1cc(Cl)c(Cl)nc1N[C@@H]1C[NH2+][C@@H]2COC[C@H]12 ZINC001155502570 761234328 /nfs/dbraw/zinc/23/43/28/761234328.db2.gz HBBOLCDJWJTQAR-LPBLVHEISA-N 1 0 319.148 1.695 20 5 DDBDRO [NH3+]CCN(CCO)c1cc(Cl)nc2ccc([N+](=O)[O-])cc21 ZINC001155953840 761729943 /nfs/dbraw/zinc/72/99/43/761729943.db2.gz QCDZBZRRHIHIIU-UHFFFAOYSA-N 1 0 310.741 1.554 20 5 DDBDRO CC(=O)N1CCc2cc(N(C)C(C)(C)C[NH3+])cc([N+](=O)[O-])c21 ZINC001170059647 764455065 /nfs/dbraw/zinc/45/50/65/764455065.db2.gz QAWLBGSPZWCMSS-UHFFFAOYSA-N 1 0 306.366 1.677 20 5 DDBDRO COc1ccc(C[C@H](C)[NH2+][C@@]2(CO)CCOC2)c([N+](=O)[O-])c1 ZINC001170326844 766252896 /nfs/dbraw/zinc/25/28/96/766252896.db2.gz OPKQIYFKWLATPI-XHDPSFHLSA-N 1 0 310.350 1.275 20 5 DDBDRO COc1ccc(C[C@H](C)[N@@H+]2CCC[C@H](C(N)=O)C2)c([N+](=O)[O-])c1 ZINC001170329048 766254077 /nfs/dbraw/zinc/25/40/77/766254077.db2.gz NPTGKPDHZGDQSQ-AAEUAGOBSA-N 1 0 321.377 1.732 20 5 DDBDRO CC(C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 ZINC001048525270 769492820 /nfs/dbraw/zinc/49/28/20/769492820.db2.gz RFPYXFQHKHFXSA-XLWJZTARSA-N 1 0 309.410 1.667 20 5 DDBDRO Cc1ncccc1C(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001133103073 769499714 /nfs/dbraw/zinc/49/97/14/769499714.db2.gz MGSOWRWLQJIMAD-UHFFFAOYSA-N 1 0 314.345 1.818 20 5 DDBDRO Cc1nocc1C(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001133228094 769606106 /nfs/dbraw/zinc/60/61/06/769606106.db2.gz WYASBNUAYHIFIE-UHFFFAOYSA-N 1 0 304.306 1.411 20 5 DDBDRO O=[N+]([O-])c1ccc(C(F)(F)F)cc1N[C@H]1C[NH2+]C[C@@H]1CO ZINC001170779242 771239014 /nfs/dbraw/zinc/23/90/14/771239014.db2.gz JLMPKFBBWWITID-XCBNKYQSSA-N 1 0 305.256 1.606 20 5 DDBDRO CN(CC[NH3+])CCNc1cc2ncnc(Cl)c2cc1[N+](=O)[O-] ZINC001159438339 771397239 /nfs/dbraw/zinc/39/72/39/771397239.db2.gz FKWNGNVMYIWPJD-UHFFFAOYSA-N 1 0 324.772 1.494 20 5 DDBDRO COc1ccc(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)o1 ZINC001135660549 771636371 /nfs/dbraw/zinc/63/63/71/771636371.db2.gz OAUNZNSUCWDCGX-UHFFFAOYSA-N 1 0 319.317 1.716 20 5 DDBDRO CCOC(=O)CN(CC[NH3+])c1nccc2c1cccc2[N+](=O)[O-] ZINC001170992013 772035754 /nfs/dbraw/zinc/03/57/54/772035754.db2.gz IIFMVCQQCDSDSP-UHFFFAOYSA-N 1 0 318.333 1.471 20 5 DDBDRO CN(CC(=O)Nc1cc2cccnc2c2ncccc12)C(N)=[NH2+] ZINC001144141179 772422826 /nfs/dbraw/zinc/42/28/26/772422826.db2.gz UYFWPFFAOYWPHA-UHFFFAOYSA-N 1 0 308.345 1.547 20 5 DDBDRO Cc1nc[nH]c1CC(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001149124929 773185216 /nfs/dbraw/zinc/18/52/16/773185216.db2.gz XJJWHZYHGBVQJP-UHFFFAOYSA-N 1 0 317.349 1.075 20 5 DDBDRO CCC[N@H+](C)CC(=O)NCCNc1ccc([N+](=O)[O-])c(C)c1 ZINC001093787438 775078014 /nfs/dbraw/zinc/07/80/14/775078014.db2.gz CSZLRPIEYZRESJ-UHFFFAOYSA-N 1 0 308.382 1.773 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(NCCNC(=O)C2(C[NH+](C)C)CC2)c1 ZINC001094089596 775422676 /nfs/dbraw/zinc/42/26/76/775422676.db2.gz BKXLXPWDMJTPPW-UHFFFAOYSA-N 1 0 320.393 1.773 20 5 DDBDRO Cc1cc([N+](=O)[O-])cnc1NCCNC(=O)C[N@@H+](C)C1CCC1 ZINC001094221361 775541745 /nfs/dbraw/zinc/54/17/45/775541745.db2.gz BDKYZKKEXGTALG-UHFFFAOYSA-N 1 0 321.381 1.311 20 5 DDBDRO CC[N@H+](C)C(C)(C)C(=O)NCCN(C)c1ccccc1[N+](=O)[O-] ZINC001100203693 775815265 /nfs/dbraw/zinc/81/52/65/775815265.db2.gz BAHWKUAQRBWSAB-UHFFFAOYSA-N 1 0 322.409 1.878 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CC(=O)N(C)C)c1F ZINC001173174890 777034201 /nfs/dbraw/zinc/03/42/01/777034201.db2.gz FHLBOJBMVXLYCV-VIFPVBQESA-N 1 0 313.329 1.351 20 5 DDBDRO CCNC(=O)C[NH2+][C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173180657 777035442 /nfs/dbraw/zinc/03/54/42/777035442.db2.gz XZHLPPDTXJERMP-VIFPVBQESA-N 1 0 313.329 1.399 20 5 DDBDRO CC[NH+](CC)C1CCN(C(=O)c2cc([N+](=O)[O-])cn2C)CC1 ZINC001116015178 780467473 /nfs/dbraw/zinc/46/74/73/780467473.db2.gz AEZIFNXINIWDOZ-UHFFFAOYSA-N 1 0 308.382 1.880 20 5 DDBDRO [NH3+][C@H]1CCCC[C@@H]1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC001118081824 781019973 /nfs/dbraw/zinc/01/99/73/781019973.db2.gz GLRRJROEBWEDMJ-KBPBESRZSA-N 1 0 307.350 1.607 20 5 DDBDRO CCN(C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)[C@H]1CC[NH2+]C1 ZINC001119321744 781402972 /nfs/dbraw/zinc/40/29/72/781402972.db2.gz JSMCELDFWTVAIH-ZDUSSCGKSA-N 1 0 317.349 1.155 20 5 DDBDRO CN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)c1cnccn1 ZINC001266629775 836561692 /nfs/dbraw/zinc/56/16/92/836561692.db2.gz RLDQKOLAAJDDNG-UHFFFAOYSA-N 1 0 315.333 1.247 20 5 DDBDRO CCOC(=O)CC[C@@H](OCCC[N+](C)(C)C)C(=O)OCC ZINC001224622204 844923609 /nfs/dbraw/zinc/92/36/09/844923609.db2.gz GGPMHIHWENODGQ-CYBMUJFWSA-N 1 0 304.407 1.374 20 5 DDBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N[C@@H]2CCC[C@H]([NH3+])C2)n1 ZINC001154988911 861623255 /nfs/dbraw/zinc/62/32/55/861623255.db2.gz HRLAJIPECCDOAZ-VHSXEESVSA-N 1 0 308.342 1.333 20 5 DDBDRO C[NH+](C)CCc1ccc(C(=O)Nc2cc([N+](=O)[O-])n[nH]2)cc1 ZINC001155043232 861671568 /nfs/dbraw/zinc/67/15/68/861671568.db2.gz LCLKEPBWLXCSDB-UHFFFAOYSA-N 1 0 303.322 1.674 20 5 DDBDRO COC(=O)[C@@H](Nc1nc(C)nc(Cl)c1[N+](=O)[O-])C(C)(C)[NH3+] ZINC001155368172 862000518 /nfs/dbraw/zinc/00/05/18/862000518.db2.gz BUSYFWRWKVPMLJ-SSDOTTSWSA-N 1 0 317.733 1.037 20 5 DDBDRO O=[N+]([O-])c1c[nH]c2ccc(NCC[C@H]3CCOC34C[NH2+]C4)nc21 ZINC001155478076 862137127 /nfs/dbraw/zinc/13/71/27/862137127.db2.gz RPDQFJQVFKIUQS-JTQLQIEISA-N 1 0 317.349 1.652 20 5 DDBDRO O=C1C[C@H]2[NH2+]CC[C@@]2(Nc2ccc3ccc4cccnc4c3n2)N1 ZINC001155571845 862238712 /nfs/dbraw/zinc/23/87/12/862238712.db2.gz UNHPSGOGMWDPIK-FZKQIMNGSA-N 1 0 319.368 1.773 20 5 DDBDRO CNc1nccc(C(=O)N[C@H]2CCCC[C@@H]2[NH+](C)C)c1[N+](=O)[O-] ZINC001327618586 862323620 /nfs/dbraw/zinc/32/36/20/862323620.db2.gz FHZQQYIZPNRTBU-RYUDHWBXSA-N 1 0 321.381 1.634 20 5 DDBDRO CN(C)Cc1csc(CNC(=O)c2cc([N+](=O)[O-])c[nH]2)n1 ZINC001155670210 862363602 /nfs/dbraw/zinc/36/36/02/862363602.db2.gz IHOJRFVXRVQLBE-UHFFFAOYSA-N 1 0 309.351 1.371 20 5 DDBDRO O=C(Cc1ccon1)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001156001315 862621124 /nfs/dbraw/zinc/62/11/24/862621124.db2.gz NHFDAWFALYUZCC-UHFFFAOYSA-N 1 0 318.333 1.421 20 5 DDBDRO C[NH2+]C1(C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)CCC1 ZINC001122049045 858672099 /nfs/dbraw/zinc/67/20/99/858672099.db2.gz DVKSYHKEUQQMLC-UHFFFAOYSA-N 1 0 307.354 1.097 20 5 DDBDRO C[NH2+]CCOCCN(C)C(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001122168366 858701592 /nfs/dbraw/zinc/70/15/92/858701592.db2.gz NYCULGRBBDKDGO-LSDHHAIUSA-N 1 0 321.377 1.393 20 5 DDBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001122304461 858745203 /nfs/dbraw/zinc/74/52/03/858745203.db2.gz GJNJJHFWGLIKDG-DZYGNGBISA-N 1 0 301.346 1.676 20 5 DDBDRO COc1cc(C(=O)N2CC[C@H]3CC[C@]32C[NH3+])cc([N+](=O)[O-])c1C ZINC001122321913 858751916 /nfs/dbraw/zinc/75/19/16/858751916.db2.gz ZMICCXLTDXESSX-WBMJQRKESA-N 1 0 319.361 1.865 20 5 DDBDRO CCc1ccc(C(=O)N2CC[NH2+]C[C@@H]2COC)cc1[N+](=O)[O-] ZINC001122419339 858801976 /nfs/dbraw/zinc/80/19/76/858801976.db2.gz OSRAZFXXWWERPT-CYBMUJFWSA-N 1 0 307.350 1.218 20 5 DDBDRO C[C@H](C[N+](C)(C)C)OC[C@H]1CN(Cc2ccccc2)CCO1 ZINC001224960976 881610638 /nfs/dbraw/zinc/61/06/38/881610638.db2.gz JHZZWUFKHMWSLX-SJLPKXTDSA-N 1 0 307.458 1.999 20 5 DDBDRO Cc1ncc(C[NH3+])c(=N)n1-c1nc2ccccc2cc1[N+](=O)[O-] ZINC001156830176 863374025 /nfs/dbraw/zinc/37/40/25/863374025.db2.gz BGVKRTCNWXDBFV-UHFFFAOYSA-N 1 0 310.317 1.575 20 5 DDBDRO COC(=O)c1ccnc(N2CC[C@@H]([N@H+](C)C(C)C)C2)c1[N+](=O)[O-] ZINC001157018895 863520651 /nfs/dbraw/zinc/52/06/51/863520651.db2.gz APYDWWUYXFVQCO-LLVKDONJSA-N 1 0 322.365 1.695 20 5 DDBDRO CC(C)(O)CC(=O)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001157274110 863705272 /nfs/dbraw/zinc/70/52/72/863705272.db2.gz SVNOIRPGRHZVFR-UHFFFAOYSA-N 1 0 309.366 1.352 20 5 DDBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(-n2ccc3c2CC[NH2+]C3)n1 ZINC001157453585 863828836 /nfs/dbraw/zinc/82/88/36/863828836.db2.gz HOLZZGGWHWTWKG-UHFFFAOYSA-N 1 0 316.321 1.088 20 5 DDBDRO Cc1c[nH]nc1C(=O)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001157670005 864032911 /nfs/dbraw/zinc/03/29/11/864032911.db2.gz OVRSAJDLWXLROC-UHFFFAOYSA-N 1 0 317.349 1.536 20 5 DDBDRO O=C(NCCC[NH2+]CCc1ccccc1F)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157767843 864118347 /nfs/dbraw/zinc/11/83/47/864118347.db2.gz XKQUAIQGXKBJMF-TZMCWYRMSA-N 1 0 309.341 1.129 20 5 DDBDRO O=[N+]([O-])c1cc(F)cnc1NCc1ncn2c1C[NH2+]CCC2 ZINC001158356077 864598745 /nfs/dbraw/zinc/59/87/45/864598745.db2.gz KJRRFKSMZWBMQO-UHFFFAOYSA-N 1 0 306.301 1.431 20 5 DDBDRO O=[N+]([O-])c1c(Cl)ccnc1NCc1ncn2c1C[NH2+]CCC2 ZINC001158356550 864600485 /nfs/dbraw/zinc/60/04/85/864600485.db2.gz UOGTZBCKVBKHFS-UHFFFAOYSA-N 1 0 322.756 1.945 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[N@H+](C(C)C)[C@@H](C)C2)n1 ZINC001158501308 864692628 /nfs/dbraw/zinc/69/26/28/864692628.db2.gz QZWFQTZACODGBH-NSHDSACASA-N 1 0 322.365 1.695 20 5 DDBDRO [NH3+]Cc1ccc2c(n1)N(c1cc([N+](=O)[O-])cc[n+]1[O-])CCC2 ZINC001158647380 864782505 /nfs/dbraw/zinc/78/25/05/864782505.db2.gz NIVZBPBDFIVFBN-UHFFFAOYSA-N 1 0 301.306 1.166 20 5 DDBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@H]1O[C@H](C(C)C)O[C@@H]1C[NH3+] ZINC001159238818 865178739 /nfs/dbraw/zinc/17/87/39/865178739.db2.gz SJSVYDSDRXLADP-YRGRVCCFSA-N 1 0 310.354 1.435 20 5 DDBDRO CCOC(=O)C1=C(Nc2cc(OC)c([N+](=O)[O-])cn2)CC[NH2+]C1 ZINC001159453733 865308808 /nfs/dbraw/zinc/30/88/08/865308808.db2.gz ZSRDOCXJMNPJNF-UHFFFAOYSA-N 1 0 322.321 1.221 20 5 DDBDRO CCOC(=O)CN(CC[NH3+])c1ccc2c(cccc2[N+](=O)[O-])n1 ZINC001159863955 865566586 /nfs/dbraw/zinc/56/65/86/865566586.db2.gz IBHYREYINAIZML-UHFFFAOYSA-N 1 0 318.333 1.471 20 5 DDBDRO C[NH2+][C@@H](C)CCNC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC001332172926 865636630 /nfs/dbraw/zinc/63/66/30/865636630.db2.gz BNNVBLCIONLCJG-VIFPVBQESA-N 1 0 311.338 1.340 20 5 DDBDRO COCCC(=O)NC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001225730233 881997256 /nfs/dbraw/zinc/99/72/56/881997256.db2.gz ZKYKXPAGJLMTAD-UHFFFAOYSA-N 1 0 321.377 1.712 20 5 DDBDRO Cc1ncc([N+](=O)[O-])c(N2CCC([NH3+])(c3cccnc3)CC2)n1 ZINC001161583155 866785948 /nfs/dbraw/zinc/78/59/48/866785948.db2.gz KOPWEAGGOWRWRC-UHFFFAOYSA-N 1 0 314.349 1.543 20 5 DDBDRO CCOC(=O)c1cnc(NCCCC[NH+](C)C)c([N+](=O)[O-])c1 ZINC001161725099 866936418 /nfs/dbraw/zinc/93/64/18/866936418.db2.gz UMZWPCSMZQOWNL-UHFFFAOYSA-N 1 0 310.354 1.920 20 5 DDBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N(CC[NH3+])c1ccc(F)cc1 ZINC001161881436 867065040 /nfs/dbraw/zinc/06/50/40/867065040.db2.gz XRDMWPIZQIWAHM-UHFFFAOYSA-N 1 0 306.297 1.773 20 5 DDBDRO COc1cc(-n2c(C[NH3+])nc3cnccc32)ncc1[N+](=O)[O-] ZINC001162215855 867348821 /nfs/dbraw/zinc/34/88/21/867348821.db2.gz QMIULIRHQAAXCH-UHFFFAOYSA-N 1 0 300.278 1.191 20 5 DDBDRO CCOCC(=O)NC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001225903729 882102602 /nfs/dbraw/zinc/10/26/02/882102602.db2.gz DJZCKMZQUVAGSE-UHFFFAOYSA-N 1 0 321.377 1.712 20 5 DDBDRO COC(=O)[C@@H](Nc1ncc(F)c(C)c1[N+](=O)[O-])C(C)(C)[NH3+] ZINC001162942442 867929603 /nfs/dbraw/zinc/92/96/03/867929603.db2.gz LUVARDMQACJKSC-SECBINFHSA-N 1 0 300.290 1.128 20 5 DDBDRO CCOc1cnc(NCC[C@@H]2CCOC23C[NH2+]C3)c([N+](=O)[O-])c1 ZINC001163080779 868065788 /nfs/dbraw/zinc/06/57/88/868065788.db2.gz IMVDVYIIVFPQDE-LLVKDONJSA-N 1 0 322.365 1.569 20 5 DDBDRO COC(=O)c1cc(NC[C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)cc([N+](=O)[O-])c1 ZINC001163108183 868107153 /nfs/dbraw/zinc/10/71/53/868107153.db2.gz LQCZZKUSLLIRNX-LERXQTSPSA-N 1 0 321.333 1.028 20 5 DDBDRO COc1cc([N+](=O)[O-])cnc1NC[C@H]1OC[C@H]2C[NH2+]CC[C@H]21 ZINC001163159622 868173464 /nfs/dbraw/zinc/17/34/64/868173464.db2.gz KTMPCZQRHHOBCS-IRUJWGPZSA-N 1 0 308.338 1.035 20 5 DDBDRO CNc1cc([N+](=O)[O-])cnc1NC[C@@H]1OC[C@H]2C[NH2+]CC[C@H]21 ZINC001163164712 868177359 /nfs/dbraw/zinc/17/73/59/868177359.db2.gz YMKSXPBBHBAKCR-XWIASGKRSA-N 1 0 307.354 1.068 20 5 DDBDRO O=C1C[C@H]2[NH2+]CC[C@]2(Nc2ccc3ncccc3c2[N+](=O)[O-])N1 ZINC001163253718 868262888 /nfs/dbraw/zinc/26/28/88/868262888.db2.gz MVTDWGOEKWMZAC-DOMZBBRYSA-N 1 0 313.317 1.133 20 5 DDBDRO COc1c(O)ccc(CN[C@H]2CC[N@H+](CC3CC3)C2)c1[N+](=O)[O-] ZINC001335442053 868300554 /nfs/dbraw/zinc/30/05/54/868300554.db2.gz VWJSTCPDWTWLGM-ZDUSSCGKSA-N 1 0 321.377 1.883 20 5 DDBDRO Cc1cnc(NC[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)cc1[N+](=O)[O-] ZINC001163283303 868305497 /nfs/dbraw/zinc/30/54/97/868305497.db2.gz FOCBHTANJWGFKR-IUODEOHRSA-N 1 0 306.366 1.869 20 5 DDBDRO O=[N+]([O-])c1c(Cl)ncnc1N[C@@H]1CCO[C@]2(CC[NH2+]C2)C1 ZINC001163304976 868329593 /nfs/dbraw/zinc/32/95/93/868329593.db2.gz KEJQAKZZJLLMQP-PRHODGIISA-N 1 0 313.745 1.361 20 5 DDBDRO COc1cc2ncnc(N(C)CC[NH+](C)C)c2cc1[N+](=O)[O-] ZINC001163590270 868550989 /nfs/dbraw/zinc/55/09/89/868550989.db2.gz OZPONCHUJARFJV-UHFFFAOYSA-N 1 0 305.338 1.544 20 5 DDBDRO COC(=O)c1ccnc(N2C[C@@H](C)CC[C@@H]2C[NH3+])c1[N+](=O)[O-] ZINC001164073535 868925898 /nfs/dbraw/zinc/92/58/98/868925898.db2.gz LUYXYAVVBJYANO-VHSXEESVSA-N 1 0 308.338 1.340 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@@H](O)c2cccnc2)cc1 ZINC001336704572 869101665 /nfs/dbraw/zinc/10/16/65/869101665.db2.gz VURKRQVRIDEXTO-HUUCEWRRSA-N 1 0 303.318 1.346 20 5 DDBDRO O=C(NCCC1(C[NH2+]CCC(F)(F)F)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001164494771 869233977 /nfs/dbraw/zinc/23/39/77/869233977.db2.gz REPBTULMUANAJQ-NXEZZACHSA-N 1 0 323.315 1.480 20 5 DDBDRO O=[N+]([O-])c1cc[n+]([O-])c(N2CC[NH2+][C@@H](Cc3ccccc3)C2)c1 ZINC001164603881 869320333 /nfs/dbraw/zinc/32/03/33/869320333.db2.gz SNIHAOPPOCKIMR-AWEZNQCLSA-N 1 0 314.345 1.249 20 5 DDBDRO CN(C)/C=C/c1cc(N2C[C@@H]3C[NH+](C)C[C@H]3C2)ncc1[N+](=O)[O-] ZINC001165147384 869408487 /nfs/dbraw/zinc/40/84/87/869408487.db2.gz FKAQKHXNOFFWIL-CTXXGXLOSA-N 1 0 317.393 1.520 20 5 DDBDRO C[N@H+](C1CN(c2ccc3[nH]cc([N+](=O)[O-])c3n2)C1)[C@@H]1CCOC1 ZINC001165205583 869430400 /nfs/dbraw/zinc/43/04/00/869430400.db2.gz NBWQIINVNBNXDG-SNVBAGLBSA-N 1 0 317.349 1.380 20 5 DDBDRO Cc1nn(CCC(=O)N[C@H]2C[NH+]3CCC2CC3)c(C)c1[N+](=O)[O-] ZINC001337355723 869451199 /nfs/dbraw/zinc/45/11/99/869451199.db2.gz IBOVXWCBQALPNH-ZDUSSCGKSA-N 1 0 321.381 1.009 20 5 DDBDRO [NH3+]CC1(F)CCN(c2ncnc3cc([N+](=O)[O-])ccc32)CC1 ZINC001165262833 869477205 /nfs/dbraw/zinc/47/72/05/869477205.db2.gz OGUZZTSUXZHJDM-UHFFFAOYSA-N 1 0 305.313 1.805 20 5 DDBDRO Nc1cc(N2CCCC[C@@H]2C2CC[NH2+]CC2)ncc1[N+](=O)[O-] ZINC001165325318 869519028 /nfs/dbraw/zinc/51/90/28/869519028.db2.gz XQACPWQFUSQMEQ-CYBMUJFWSA-N 1 0 305.382 1.931 20 5 DDBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N2CCC([NH3+])CC2)n1 ZINC001166661737 870135464 /nfs/dbraw/zinc/13/54/64/870135464.db2.gz QTWSEWMVSDSIIP-UHFFFAOYSA-N 1 0 303.775 1.688 20 5 DDBDRO O=[N+]([O-])c1ccnc(-n2ncc3cc(N4CC[NH2+]CC4)ccc32)c1 ZINC001167019039 870477796 /nfs/dbraw/zinc/47/77/96/870477796.db2.gz HEQVKIZAXPFNBO-UHFFFAOYSA-N 1 0 324.344 1.738 20 5 DDBDRO CC1(C)CC[N@H+](CCNC(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC001305031355 871256751 /nfs/dbraw/zinc/25/67/51/871256751.db2.gz CRYCTVREXFOPQN-UHFFFAOYSA-N 1 0 306.366 1.639 20 5 DDBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)C12CCC(CC1)[NH2+]2 ZINC001340699894 871292790 /nfs/dbraw/zinc/29/27/90/871292790.db2.gz JXUDKRHYQHZNNF-UHFFFAOYSA-N 1 0 305.334 1.374 20 5 DDBDRO C[C@H](CNC(=O)N1CC[NH2+][C@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC001338755906 871316572 /nfs/dbraw/zinc/31/65/72/871316572.db2.gz UDGCXTRTYBJJQQ-VXGBXAGGSA-N 1 0 306.366 1.702 20 5 DDBDRO CCn1c([C@H](C)[N+](=O)[O-])nnc1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC001340877184 871404371 /nfs/dbraw/zinc/40/43/71/871404371.db2.gz CRXZWLLICMCJAS-WOPDTQHZSA-N 1 0 310.402 1.555 20 5 DDBDRO CC[C@@H](CNS(C)(=O)=O)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC001308410535 871498735 /nfs/dbraw/zinc/49/87/35/871498735.db2.gz ROQRQCXYLWJSCZ-LBPRGKRZSA-N 1 0 315.395 1.321 20 5 DDBDRO [NH3+]CC[C@H]1CCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC001341125397 871516164 /nfs/dbraw/zinc/51/61/64/871516164.db2.gz XSTWDRREAUKWSH-JTQLQIEISA-N 1 0 311.313 1.310 20 5 DDBDRO CN(CCC[NH+](C)C)C(=O)[C@](C)(N)c1cccc([N+](=O)[O-])c1 ZINC001341359275 871620274 /nfs/dbraw/zinc/62/02/74/871620274.db2.gz LCZFQUMMRCLNQI-OAHLLOKOSA-N 1 0 308.382 1.179 20 5 DDBDRO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3cnn(CCF)c3)CC2)n1 ZINC001341394245 871637227 /nfs/dbraw/zinc/63/72/27/871637227.db2.gz XUMUOZTXXYNPII-UHFFFAOYSA-N 1 0 322.344 1.794 20 5 DDBDRO O=C(NC[C@@H]1C[NH2+]CCCO1)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001341800148 871829334 /nfs/dbraw/zinc/82/93/34/871829334.db2.gz XQCASIJEBCEAPG-RRFJBIMHSA-N 1 0 319.361 1.193 20 5 DDBDRO COCC[C@@H]1C[NH2+]CCN1C(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC001342235880 872093213 /nfs/dbraw/zinc/09/32/13/872093213.db2.gz BZULWCGUKDKRBJ-GFCCVEGCSA-N 1 0 323.349 1.054 20 5 DDBDRO [NH3+]C1(Cc2nc(-c3ncc(F)cc3[N+](=O)[O-])no2)CCOCC1 ZINC001206619263 872480681 /nfs/dbraw/zinc/48/06/81/872480681.db2.gz RQRWBMGLMCMXII-UHFFFAOYSA-N 1 0 323.284 1.229 20 5 DDBDRO O=[N+]([O-])c1cnc(O[C@H]2CC[C@H]([NH+]3CCOCC3)CC2)nc1 ZINC001226734605 882621161 /nfs/dbraw/zinc/62/11/61/882621161.db2.gz ZQLDQMUMFZGPFF-AULYBMBSSA-N 1 0 308.338 1.407 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cnc(Cl)cc1Cl ZINC001226888254 882705021 /nfs/dbraw/zinc/70/50/21/882705021.db2.gz CYGLNJPOOBMUKI-MRVPVSSYSA-N 1 0 308.185 1.751 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cc(Cl)c([N+](=O)[O-])cn1 ZINC001226916452 882721033 /nfs/dbraw/zinc/72/10/33/882721033.db2.gz CXXSKXDFVOPUFL-MRVPVSSYSA-N 1 0 318.737 1.006 20 5 DDBDRO CN(C(=O)CSc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001346356513 873713160 /nfs/dbraw/zinc/71/31/60/873713160.db2.gz UTRIZAFRHAWJEV-IMRBUKKESA-N 1 0 307.375 1.363 20 5 DDBDRO C[N@@H+]1CCCC[C@H]1CNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC001347503991 874164454 /nfs/dbraw/zinc/16/44/54/874164454.db2.gz PPNMNHXEMRCNDF-ZDUSSCGKSA-N 1 0 307.350 1.574 20 5 DDBDRO Cc1cc(=O)oc2cc(OC(=O)C[C@@H](O)C[N+](C)(C)C)ccc12 ZINC001227542118 883071479 /nfs/dbraw/zinc/07/14/79/883071479.db2.gz GNSZRQJPHJVLSL-GFCCVEGCSA-N 1 0 320.365 1.464 20 5 DDBDRO C[C@@H](NC(=O)NCC1=CC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1 ZINC001353425855 877321438 /nfs/dbraw/zinc/32/14/38/877321438.db2.gz UAPWIUHTJKRPBW-LLVKDONJSA-N 1 0 304.350 1.875 20 5 DDBDRO COc1c(C)cc([N+](=O)[O-])c(O[C@H]2CCC[NH2+]C2)c1[N+](=O)[O-] ZINC001218283970 877444675 /nfs/dbraw/zinc/44/46/75/877444675.db2.gz OJZPWUKYNOEKOP-VIFPVBQESA-N 1 0 311.294 1.951 20 5 DDBDRO C[C@H]1CN(C(=O)CCOc2ccccc2[N+](=O)[O-])CC[C@@H]1C[NH3+] ZINC001355063673 878406644 /nfs/dbraw/zinc/40/66/44/878406644.db2.gz AATJMWVQFVKBHI-QWHCGFSZSA-N 1 0 321.377 1.807 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001355092942 878422369 /nfs/dbraw/zinc/42/23/69/878422369.db2.gz ADOFCFOYQZTDBH-QWHCGFSZSA-N 1 0 303.362 1.893 20 5 DDBDRO COc1ccc(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)cc1[N+](=O)[O-] ZINC001355499114 878583790 /nfs/dbraw/zinc/58/37/90/878583790.db2.gz VSHZCXDVTPRHKX-GRYCIOLGSA-N 1 0 305.334 1.155 20 5 DDBDRO O=C(CCc1cc(F)ccc1[N+](=O)[O-])N[C@H]1CCC[NH2+]CC1 ZINC001357453438 879975807 /nfs/dbraw/zinc/97/58/07/879975807.db2.gz NUMYSZKBRPZOIT-ZDUSSCGKSA-N 1 0 309.341 1.925 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NCC[C@@H]1CSCC[NH2+]1 ZINC001357660945 880123027 /nfs/dbraw/zinc/12/30/27/880123027.db2.gz UENWGVIIBAQPCG-SNVBAGLBSA-N 1 0 310.379 1.123 20 5 DDBDRO O=c1nc2cc([N+](=O)[O-])ccc2c(O[C@H]2C[NH+]3CCC2CC3)[nH]1 ZINC001228241335 883401684 /nfs/dbraw/zinc/40/16/84/883401684.db2.gz AGVPNEWXYOXJRN-ZDUSSCGKSA-N 1 0 316.317 1.717 20 5 DDBDRO CO[C@@H]1CC[N@H+](CCOc2cc(F)cc(F)c2[N+](=O)[O-])C1 ZINC001228614074 883574179 /nfs/dbraw/zinc/57/41/79/883574179.db2.gz SOLVRCPAIPKAAQ-SNVBAGLBSA-N 1 0 302.277 1.973 20 5 DDBDRO COC(=O)c1cc(OCC[N@H+]2CC[C@@H](OC)C2)cc([N+](=O)[O-])c1 ZINC001228772540 883663266 /nfs/dbraw/zinc/66/32/66/883663266.db2.gz XVOCSFKLVFRUCM-CYBMUJFWSA-N 1 0 324.333 1.481 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc(Cl)nc1Cl ZINC001229090470 883812107 /nfs/dbraw/zinc/81/21/07/883812107.db2.gz IENULVOBTWUFNK-MRVPVSSYSA-N 1 0 308.185 1.751 20 5 DDBDRO COc1ccc2c(c1)ncnc2OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001230867355 884986855 /nfs/dbraw/zinc/98/68/55/884986855.db2.gz KLRSBEYTPIESNW-LLVKDONJSA-N 1 0 320.369 1.001 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccccc1OCC1CC1 ZINC001233508122 887053915 /nfs/dbraw/zinc/05/39/15/887053915.db2.gz PGXHMDKONFBPPG-CQSZACIVSA-N 1 0 308.398 1.838 20 5 DDBDRO CC[NH+]1CCC(Oc2ncc(C(=O)OC)cc2[N+](=O)[O-])CC1 ZINC001233856651 887394995 /nfs/dbraw/zinc/39/49/95/887394995.db2.gz BUFHHKSBKRPYKY-UHFFFAOYSA-N 1 0 309.322 1.640 20 5 DDBDRO CC(C)(C)OC(=O)[C@H](CCC[NH3+])N[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001246205868 892481313 /nfs/dbraw/zinc/48/13/13/892481313.db2.gz ABUBQKCAZWFEHW-AGIUHOORSA-N 1 0 315.414 1.471 20 5 DDBDRO CCOC(=O)C1=C(N[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C[NH2+]C1 ZINC001246350847 892558175 /nfs/dbraw/zinc/55/81/75/892558175.db2.gz PSGOVZJTHRQJTB-GFCCVEGCSA-N 1 0 317.345 1.072 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2C[C@@H](C)[C@H]([NH3+])C2)c1F ZINC001246566734 892701434 /nfs/dbraw/zinc/70/14/34/892701434.db2.gz JQGALRWEWUAGOS-JFGNBEQYSA-N 1 0 311.357 1.953 20 5 DDBDRO [NH3+][C@H]1C[C@H](F)CN(C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001246578597 892710501 /nfs/dbraw/zinc/71/05/01/892710501.db2.gz WCEMRVOFQFFUMG-STQMWFEESA-N 1 0 322.384 1.935 20 5 DDBDRO CCOC(=O)CC1([NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])COC1 ZINC001254537437 896494309 /nfs/dbraw/zinc/49/43/09/896494309.db2.gz DXTRCIOPAZZYAE-LBPRGKRZSA-N 1 0 322.361 1.838 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CN(c2ncccn2)C1 ZINC001254543016 896496980 /nfs/dbraw/zinc/49/69/80/896496980.db2.gz RCCNFAONLDYRNB-GFCCVEGCSA-N 1 0 313.361 1.794 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCN(CC[NH+](C)C)CC1 ZINC001254550970 896498467 /nfs/dbraw/zinc/49/84/67/896498467.db2.gz UMJFZDSOSTYONC-OAHLLOKOSA-N 1 0 320.437 1.705 20 5 DDBDRO CNC(=O)C1CC[NH+]([C@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001254550828 896499667 /nfs/dbraw/zinc/49/96/67/896499667.db2.gz RSUJYKXRVPNBTP-GFCCVEGCSA-N 1 0 305.378 1.984 20 5 DDBDRO Cc1nnc2n1CCN([C@@H](C)Cc1ccccc1[N+](=O)[O-])C2 ZINC001254562960 896500811 /nfs/dbraw/zinc/50/08/11/896500811.db2.gz SEIGHRWILCVEMH-NSHDSACASA-N 1 0 301.350 1.942 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]C1CN(c3ccncn3)C1)C2 ZINC001254586221 896517881 /nfs/dbraw/zinc/51/78/81/896517881.db2.gz INMQZZRBHBKJOC-CYBMUJFWSA-N 1 0 311.345 1.330 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH+]1CCC3(CC1)OCCO3)C2 ZINC001254593982 896520969 /nfs/dbraw/zinc/52/09/69/896520969.db2.gz ORTKVLWDODVVKC-OAHLLOKOSA-N 1 0 304.346 1.901 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]Cc1cc3n(n1)CCCO3)C2 ZINC001254599660 896525295 /nfs/dbraw/zinc/52/52/95/896525295.db2.gz OBBXGRAPWVEQPF-ZDUSSCGKSA-N 1 0 314.345 1.831 20 5 DDBDRO CC[N@H+](CCN1CCOCC1)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254604292 896526813 /nfs/dbraw/zinc/52/68/13/896526813.db2.gz UTASZJAONNSAEZ-QGZVFWFLSA-N 1 0 319.405 1.716 20 5 DDBDRO O=C1CC[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C[C@H]2CCCN12 ZINC001254605309 896527588 /nfs/dbraw/zinc/52/75/88/896527588.db2.gz BDLKYZGGFSAPOD-HZPDHXFCSA-N 1 0 315.373 1.759 20 5 DDBDRO CNC(=O)N[C@H]1CCC[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254612450 896533481 /nfs/dbraw/zinc/53/34/81/896533481.db2.gz WGZXYXXBOCDWBK-DZGCQCFKSA-N 1 0 318.377 1.455 20 5 DDBDRO COC(=O)C1(O)CC[NH+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254611388 896533752 /nfs/dbraw/zinc/53/37/52/896533752.db2.gz QAICTTASZQABJU-CQSZACIVSA-N 1 0 320.345 1.062 20 5 DDBDRO C[C@H]([NH3+])C(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC001262044356 899912792 /nfs/dbraw/zinc/91/27/92/899912792.db2.gz DYBSNQGORFBCNB-LURJTMIESA-N 1 0 302.128 1.321 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H](C)[C@H]1CO ZINC000248964908 282121794 /nfs/dbraw/zinc/12/17/94/282121794.db2.gz ROEFFTLLCMCLJV-IAQYHMDHSA-N 1 0 321.377 1.935 20 5 DDBDRO COC(=O)c1cc(C(=O)NC2CC[NH+](C)CC2)cc([N+](=O)[O-])c1 ZINC000078968928 185137372 /nfs/dbraw/zinc/13/73/72/185137372.db2.gz MJYBWIUYNCYBOI-UHFFFAOYSA-N 1 0 321.333 1.205 20 5 DDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[NH2+]CC1(C)C ZINC000088139227 185240486 /nfs/dbraw/zinc/24/04/86/185240486.db2.gz ASOFRKGAKUHVAY-UHFFFAOYSA-N 1 0 313.379 1.276 20 5 DDBDRO CO[C@@]1(C)C[C@@H]([N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)C1(C)C ZINC000090551326 185302617 /nfs/dbraw/zinc/30/26/17/185302617.db2.gz FCFXUGVRJZIKLR-CJNGLKHVSA-N 1 0 323.393 1.892 20 5 DDBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000181418543 199293742 /nfs/dbraw/zinc/29/37/42/199293742.db2.gz ANODRUJPMIVBEZ-SNVBAGLBSA-N 1 0 323.349 1.784 20 5 DDBDRO Cc1nn(CCC(=O)N(C)C2(C[NH3+])CCC2)c(C)c1[N+](=O)[O-] ZINC000449675898 282302688 /nfs/dbraw/zinc/30/26/88/282302688.db2.gz CRXHQDWNIJWRAU-UHFFFAOYSA-N 1 0 309.370 1.138 20 5 DDBDRO C[C@@H]1C[C@H](C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H](C)O1 ZINC000563952487 303983220 /nfs/dbraw/zinc/98/32/20/303983220.db2.gz IWQDVGVYADMGFN-BHPKHCPMSA-N 1 0 324.377 1.738 20 5 DDBDRO COC[C@@H](CO)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000279640498 215025589 /nfs/dbraw/zinc/02/55/89/215025589.db2.gz CVODKCHMZRCOMP-GFCCVEGCSA-N 1 0 306.318 1.952 20 5 DDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC(C)(C)CC[NH3+] ZINC000397203301 302352598 /nfs/dbraw/zinc/35/25/98/302352598.db2.gz XPPYELLBOQGQKC-UHFFFAOYSA-N 1 0 301.368 1.309 20 5 DDBDRO C[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1[NH+](C)C ZINC000358390804 299139918 /nfs/dbraw/zinc/13/99/18/299139918.db2.gz HXORIESJQAWOCA-QMTHXVAHSA-N 1 0 309.341 1.685 20 5 DDBDRO CCC(CC)(C[NH3+])NC(=O)CCn1nc(C)c([N+](=O)[O-])c1C ZINC000236744089 201989619 /nfs/dbraw/zinc/98/96/19/201989619.db2.gz OYBIIPHOBMODSQ-UHFFFAOYSA-N 1 0 311.386 1.432 20 5 DDBDRO CO[C@@H]1C[C@@H]([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)C12CCC2 ZINC000459763574 233502684 /nfs/dbraw/zinc/50/26/84/233502684.db2.gz OHERJIIKKGESTF-CHWSQXEVSA-N 1 0 307.350 1.304 20 5 DDBDRO Cc1cc(C(=O)NC2(CCO)CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000354140739 290918895 /nfs/dbraw/zinc/91/88/95/290918895.db2.gz BFVRDUVWMQMIDW-UHFFFAOYSA-N 1 0 321.377 1.480 20 5 DDBDRO Nc1ccc(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000047287023 352489486 /nfs/dbraw/zinc/48/94/86/352489486.db2.gz WHOKHPUMAZIVRA-QWHCGFSZSA-N 1 0 304.350 1.534 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)CC[C@H](C)O ZINC000072713605 191218744 /nfs/dbraw/zinc/21/87/44/191218744.db2.gz RXQQDWXUAIZBSG-LBPRGKRZSA-N 1 0 309.366 1.935 20 5 DDBDRO CNC(=O)c1ccc(N2CC[NH+](C(C)C)CC2)c([N+](=O)[O-])c1 ZINC000053557895 352660810 /nfs/dbraw/zinc/66/08/10/352660810.db2.gz ILXXCMFRWNGARA-UHFFFAOYSA-N 1 0 306.366 1.485 20 5 DDBDRO NC(=O)C[N@H+](CCOc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000052844406 352627727 /nfs/dbraw/zinc/62/77/27/352627727.db2.gz NMPWARFETHJLLU-UHFFFAOYSA-N 1 0 307.350 1.704 20 5 DDBDRO O=C(c1ccc([N+](=O)[O-])o1)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000052896833 352631632 /nfs/dbraw/zinc/63/16/32/352631632.db2.gz IEJGDJANMGLVBV-UHFFFAOYSA-N 1 0 322.365 1.041 20 5 DDBDRO C[N@H+](CCNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)C1CC1 ZINC000058857822 352854770 /nfs/dbraw/zinc/85/47/70/352854770.db2.gz NNXXBGVEJWKUPY-UHFFFAOYSA-N 1 0 302.334 1.900 20 5 DDBDRO CN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000066327058 352989273 /nfs/dbraw/zinc/98/92/73/352989273.db2.gz JMCYFJVDOYVVDJ-UHFFFAOYSA-N 1 0 319.408 1.371 20 5 DDBDRO CC(=O)NCC1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000065536612 352954538 /nfs/dbraw/zinc/95/45/38/352954538.db2.gz GCXJGSXDELOXDR-UHFFFAOYSA-N 1 0 321.377 1.822 20 5 DDBDRO CC(C)[N@@H+]1CCCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC1 ZINC000068776757 353129203 /nfs/dbraw/zinc/12/92/03/353129203.db2.gz WMUWQGVTDVDMLW-UHFFFAOYSA-N 1 0 323.397 1.469 20 5 DDBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)C[C@H](O)CN1CCOCC1 ZINC000073021810 353233134 /nfs/dbraw/zinc/23/31/34/353233134.db2.gz SNWGRWSVIZJDAK-CJNGLKHVSA-N 1 0 323.393 1.281 20 5 DDBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])nc2C)C1 ZINC000174145210 198297422 /nfs/dbraw/zinc/29/74/22/198297422.db2.gz AUKYEWUKQNSADG-GFCCVEGCSA-N 1 0 309.370 1.042 20 5 DDBDRO Cc1cc(NC[C@H](O)C[NH+]2CCC(C)CC2)ncc1[N+](=O)[O-] ZINC000074749920 353328514 /nfs/dbraw/zinc/32/85/14/353328514.db2.gz FPOFCLWFTAKFAS-ZDUSSCGKSA-N 1 0 308.382 1.803 20 5 DDBDRO O=C(c1cccc([N+](=O)[O-])c1)N1CCC[C@H]1CN1CCOCC1 ZINC000174484617 198341028 /nfs/dbraw/zinc/34/10/28/198341028.db2.gz ACCFFQUURXQCMZ-HNNXBMFYSA-N 1 0 319.361 1.532 20 5 DDBDRO CCOCC[NH+]1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000174734172 198377185 /nfs/dbraw/zinc/37/71/85/198377185.db2.gz DGCNKHRPJFRKQU-UHFFFAOYSA-N 1 0 309.366 1.762 20 5 DDBDRO CC[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1c(C)nn(C)c1C ZINC000090538495 353794909 /nfs/dbraw/zinc/79/49/09/353794909.db2.gz CECDRNSAZBKMSE-CYBMUJFWSA-N 1 0 306.370 1.883 20 5 DDBDRO O=C(COc1cccc([N+](=O)[O-])c1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000141679000 354141533 /nfs/dbraw/zinc/14/15/33/354141533.db2.gz YBRPSIIKYXPGRQ-CQSZACIVSA-N 1 0 319.361 1.670 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@@]2(CCOC2)C1 ZINC000153491997 354200055 /nfs/dbraw/zinc/20/00/55/354200055.db2.gz KBXKJKSZVNDGLI-MRXNPFEDSA-N 1 0 319.361 1.954 20 5 DDBDRO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000237488713 354343224 /nfs/dbraw/zinc/34/32/24/354343224.db2.gz ZSGAGBBGMRRYHH-BDAKNGLRSA-N 1 0 303.322 1.423 20 5 DDBDRO CC(C)C[C@@H]([NH3+])C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000320339122 354526381 /nfs/dbraw/zinc/52/63/81/354526381.db2.gz ISMVANRGIRNKLY-OAHLLOKOSA-N 1 0 320.393 1.617 20 5 DDBDRO CNc1ccc(C(=O)N2CC[C@H]([NH+](C)C)[C@H]2C)cc1[N+](=O)[O-] ZINC000320273370 354526599 /nfs/dbraw/zinc/52/65/99/354526599.db2.gz YUTKUHPXPXVTAT-MFKMUULPSA-N 1 0 306.366 1.801 20 5 DDBDRO [NH3+][C@@H](CNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)C1CC1 ZINC000357254062 291034290 /nfs/dbraw/zinc/03/42/90/291034290.db2.gz YNCZOEGLPVGIIU-NSHDSACASA-N 1 0 315.333 1.248 20 5 DDBDRO CCO[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2C)C[C@H]1C[NH3+] ZINC000405335785 354678836 /nfs/dbraw/zinc/67/88/36/354678836.db2.gz JMVPGAVTGJSEKT-BXUZGUMPSA-N 1 0 307.350 1.339 20 5 DDBDRO Cc1nnsc1C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000584775500 354764832 /nfs/dbraw/zinc/76/48/32/354764832.db2.gz LHSLMKNKPBCYAX-JTQLQIEISA-N 1 0 324.362 1.284 20 5 DDBDRO Cc1cc(C(=O)N2CC[C@H]([N@@H+]3CC[C@H](O)C3)C2)cc([N+](=O)[O-])c1 ZINC000588860632 354943788 /nfs/dbraw/zinc/94/37/88/354943788.db2.gz KIAFLSQLMLJQHT-ZFWWWQNUSA-N 1 0 319.361 1.184 20 5 DDBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]CCc1cn[nH]c1)OCCO2 ZINC000589323809 354984586 /nfs/dbraw/zinc/98/45/86/354984586.db2.gz OTKYYGMYFJHWPQ-UHFFFAOYSA-N 1 0 304.306 1.421 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@@H]([C@H](C)O)C2)c1 ZINC000589510897 354997926 /nfs/dbraw/zinc/99/79/26/354997926.db2.gz UNJXPNISUIDLIX-CMPLNLGQSA-N 1 0 308.334 1.584 20 5 DDBDRO C[N@@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000590561799 355115025 /nfs/dbraw/zinc/11/50/25/355115025.db2.gz GVVWGHBUWDPENZ-QWRGUYRKSA-N 1 0 309.322 1.123 20 5 DDBDRO C[C@H]([NH3+])CNC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000591361118 355301669 /nfs/dbraw/zinc/30/16/69/355301669.db2.gz DGBKVKIPIFTFFP-NSHDSACASA-N 1 0 322.365 1.495 20 5 DDBDRO O=c1[nH]c(N2CC[C@@H]3CC[NH2+][C@@H]3C2)nc2ccc([N+](=O)[O-])cc21 ZINC000591437395 355310290 /nfs/dbraw/zinc/31/02/90/355310290.db2.gz GYCKEXJKHRLMDY-TVQRCGJNSA-N 1 0 315.333 1.432 20 5 DDBDRO C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000591737475 355375591 /nfs/dbraw/zinc/37/55/91/355375591.db2.gz BQCOUIUURCZYSH-DJSGYFEHSA-N 1 0 316.361 1.675 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000591677572 355360412 /nfs/dbraw/zinc/36/04/12/355360412.db2.gz MXNJRIVANKDDNT-LLVKDONJSA-N 1 0 307.350 1.865 20 5 DDBDRO COc1cc(C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)cc([N+](=O)[O-])c1C ZINC000592246103 355547063 /nfs/dbraw/zinc/54/70/63/355547063.db2.gz KXTOYEINQBNUEC-YPMHNXCESA-N 1 0 319.361 1.736 20 5 DDBDRO CCc1ccc(C(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000592309479 355557159 /nfs/dbraw/zinc/55/71/59/355557159.db2.gz RHINGPYLMZBIHH-QMTHXVAHSA-N 1 0 307.350 1.345 20 5 DDBDRO O=c1c([N+](=O)[O-])cc(Br)cn1C[C@@H]1CC[NH2+]C1 ZINC000592162331 355522398 /nfs/dbraw/zinc/52/23/98/355522398.db2.gz WPNNEOPNXFMRKB-SSDOTTSWSA-N 1 0 302.128 1.129 20 5 DDBDRO C[NH2+]CCSCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000592177336 355526230 /nfs/dbraw/zinc/52/62/30/355526230.db2.gz YZHDPLBCRCUYCX-UHFFFAOYSA-N 1 0 311.363 1.845 20 5 DDBDRO CC[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC[C@@H]1[NH3+] ZINC000592382226 355571182 /nfs/dbraw/zinc/57/11/82/355571182.db2.gz HTUVUAPRPZWZCZ-IUCAKERBSA-N 1 0 319.408 1.404 20 5 DDBDRO O=C(NCC1C[NH2+]C1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000592540735 355622361 /nfs/dbraw/zinc/62/23/61/355622361.db2.gz JZFKMOHNIOJBJA-UHFFFAOYSA-N 1 0 318.377 1.147 20 5 DDBDRO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592554107 355627218 /nfs/dbraw/zinc/62/72/18/355627218.db2.gz CUQHFTWDGDNQJQ-NWDGAFQWSA-N 1 0 306.366 1.775 20 5 DDBDRO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592554109 355627338 /nfs/dbraw/zinc/62/73/38/355627338.db2.gz CUQHFTWDGDNQJQ-RYUDHWBXSA-N 1 0 306.366 1.775 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)nccc2N1CC[NH+](CCCO)CC1 ZINC000593457184 355891598 /nfs/dbraw/zinc/89/15/98/355891598.db2.gz JNUNCPPGVBPJFA-UHFFFAOYSA-N 1 0 316.361 1.647 20 5 DDBDRO COC(=O)c1cc(NC(=O)[C@H]2CCC[NH2+]CC2)cc([N+](=O)[O-])c1 ZINC000593902816 356049949 /nfs/dbraw/zinc/04/99/49/356049949.db2.gz XOSWKLGPSWEOQK-JTQLQIEISA-N 1 0 321.333 1.710 20 5 DDBDRO COc1cc(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)cc([N+](=O)[O-])c1C ZINC000594102212 356113351 /nfs/dbraw/zinc/11/33/51/356113351.db2.gz INSVDVOMLDYLPH-BJHJDKERSA-N 1 0 321.377 1.982 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594199313 356137931 /nfs/dbraw/zinc/13/79/31/356137931.db2.gz JTELFQXANUVOET-OLZOCXBDSA-N 1 0 321.381 1.233 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594199315 356137942 /nfs/dbraw/zinc/13/79/42/356137942.db2.gz JTELFQXANUVOET-STQMWFEESA-N 1 0 321.381 1.233 20 5 DDBDRO COc1ccc(CNC(=O)[C@@H]2C[C@]23CCC[NH2+]C3)cc1[N+](=O)[O-] ZINC000594431973 356211028 /nfs/dbraw/zinc/21/10/28/356211028.db2.gz UHIJWFXFAPKDOU-LRDDRELGSA-N 1 0 319.361 1.609 20 5 DDBDRO Cc1c(CC(=O)N[C@@H](C[NH3+])C(F)(F)F)cccc1[N+](=O)[O-] ZINC000594451121 356221915 /nfs/dbraw/zinc/22/19/15/356221915.db2.gz KROZWUHWZWNJIZ-JTQLQIEISA-N 1 0 305.256 1.452 20 5 DDBDRO C[C@H]([NH2+][C@@H]1CCc2c(nnn2C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000594519947 356241759 /nfs/dbraw/zinc/24/17/59/356241759.db2.gz HLQFJHPYORUUJZ-CMPLNLGQSA-N 1 0 301.350 1.931 20 5 DDBDRO C[C@@H](CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000594815676 356326501 /nfs/dbraw/zinc/32/65/01/356326501.db2.gz ANALUSKYEOWOTR-JTQLQIEISA-N 1 0 301.368 1.213 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000347027396 283154634 /nfs/dbraw/zinc/15/46/34/283154634.db2.gz ZMBNLAUOBSWMNF-UHFFFAOYSA-N 1 0 303.322 1.642 20 5 DDBDRO CN1CC[C@@H]([NH+]2CCC(Nc3ncccc3[N+](=O)[O-])CC2)C1=O ZINC000594874454 356346586 /nfs/dbraw/zinc/34/65/86/356346586.db2.gz PBVLHXDSMLBEFJ-CYBMUJFWSA-N 1 0 319.365 1.097 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000595221815 356411551 /nfs/dbraw/zinc/41/15/51/356411551.db2.gz FWVIHARBMPIWKU-LBPRGKRZSA-N 1 0 321.381 1.180 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)C1([NH3+])CC2(CCC2)C1 ZINC000595253391 356419682 /nfs/dbraw/zinc/41/96/82/356419682.db2.gz NUYNRXVTGQQWQY-UHFFFAOYSA-N 1 0 319.361 1.881 20 5 DDBDRO Cc1noc(CN2CC[NH+](C[C@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000595337162 356453776 /nfs/dbraw/zinc/45/37/76/356453776.db2.gz UXWAZEORIPUWJC-GFCCVEGCSA-N 1 0 310.354 1.045 20 5 DDBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])nc2C)C1 ZINC000081362763 192257665 /nfs/dbraw/zinc/25/76/65/192257665.db2.gz UIUOFNCWMXWGAW-ZDUSSCGKSA-N 1 0 323.397 1.290 20 5 DDBDRO CNC(=O)[C@H](C)C[N@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000081556686 192292163 /nfs/dbraw/zinc/29/21/63/192292163.db2.gz XESUDVFLGSKCDT-MNOVXSKESA-N 1 0 322.365 1.236 20 5 DDBDRO C[C@@H](CO)[C@H]1CCCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000595679782 356607900 /nfs/dbraw/zinc/60/79/00/356607900.db2.gz YCZWQXSMSAQCKQ-SMDDNHRTSA-N 1 0 321.377 1.677 20 5 DDBDRO COc1cc(C[N@@H+]2CC[C@@H]3NC(=O)CC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000595728782 356625080 /nfs/dbraw/zinc/62/50/80/356625080.db2.gz OWHMWUFJAAJYAS-OLZOCXBDSA-N 1 0 319.361 1.704 20 5 DDBDRO C[C@]12COC[C@H]1C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC000595759874 356641218 /nfs/dbraw/zinc/64/12/18/356641218.db2.gz QLCVJRQXWFAFMZ-WBMJQRKESA-N 1 0 319.361 1.892 20 5 DDBDRO CN(CC(C)(C)[NH3+])[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000595899699 356696943 /nfs/dbraw/zinc/69/69/43/356696943.db2.gz STNDQEGDMOHAJX-CYBMUJFWSA-N 1 0 306.366 1.369 20 5 DDBDRO COc1cc(C[NH2+]CCOCCF)c([N+](=O)[O-])cc1OC ZINC000596056966 356755320 /nfs/dbraw/zinc/75/53/20/356755320.db2.gz CKXNPHDWBABAMC-UHFFFAOYSA-N 1 0 302.302 1.688 20 5 DDBDRO NC(=O)c1cc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000596081872 356766074 /nfs/dbraw/zinc/76/60/74/356766074.db2.gz AXYKFFQPWVOZEN-VXGBXAGGSA-N 1 0 304.350 1.732 20 5 DDBDRO COc1cc(NC[C@](C)(O)C[NH+](C)C)c(Cl)cc1[N+](=O)[O-] ZINC000596173013 356801531 /nfs/dbraw/zinc/80/15/31/356801531.db2.gz OPCSWZXXVFGLOR-ZDUSSCGKSA-N 1 0 317.773 1.981 20 5 DDBDRO COc1cc(NC[C@]2(O)CC[N@H+](C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596198041 356810578 /nfs/dbraw/zinc/81/05/78/356810578.db2.gz PMDIYUXKIRAFIA-CYBMUJFWSA-N 1 0 315.757 1.735 20 5 DDBDRO O=[N+]([O-])c1cnccc1N1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000596264935 356837979 /nfs/dbraw/zinc/83/79/79/356837979.db2.gz MNPOYBLCCXQASO-UHFFFAOYSA-N 1 0 306.366 1.321 20 5 DDBDRO Cc1cnc(N2CCC([N@@H+]3CCCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000596269434 356839030 /nfs/dbraw/zinc/83/90/30/356839030.db2.gz UMRPUNFQXXXLPB-UHFFFAOYSA-N 1 0 320.393 1.989 20 5 DDBDRO CC(C)(C)[N@@H+]1CC[C@H]1CNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000596305882 356852228 /nfs/dbraw/zinc/85/22/28/356852228.db2.gz BXWYJXHZABGSRC-VIFPVBQESA-N 1 0 307.354 1.373 20 5 DDBDRO C[C@@H](CN(C)CCC[NH+](C)C)Nc1ncc([N+](=O)[O-])s1 ZINC000596360489 356863679 /nfs/dbraw/zinc/86/36/79/356863679.db2.gz MGMXFMNTLXQOAQ-JTQLQIEISA-N 1 0 301.416 1.735 20 5 DDBDRO Cc1cnc(N2CCO[C@H](CCC[NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000596564653 356918797 /nfs/dbraw/zinc/91/87/97/356918797.db2.gz AEKHKJLJDNYAMK-CYBMUJFWSA-N 1 0 308.382 1.845 20 5 DDBDRO C[NH+](C)CC1CN(C(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000597707898 357295518 /nfs/dbraw/zinc/29/55/18/357295518.db2.gz INDKFBVJQGPZHT-UHFFFAOYSA-N 1 0 307.350 1.384 20 5 DDBDRO CCc1n[nH]c(C(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000597853903 357358065 /nfs/dbraw/zinc/35/80/65/357358065.db2.gz DKUBLZWZMUGVEF-SNVBAGLBSA-N 1 0 323.397 1.731 20 5 DDBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000597862296 357362976 /nfs/dbraw/zinc/36/29/76/357362976.db2.gz ZOALUTIAGDDXKF-JTQLQIEISA-N 1 0 322.365 1.546 20 5 DDBDRO CCN(C(=O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@H+](CC)C1 ZINC000598044189 357440557 /nfs/dbraw/zinc/44/05/57/357440557.db2.gz ZPPHRLJVXGRLSA-CQSZACIVSA-N 1 0 321.377 1.916 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)n1 ZINC000597920422 357381602 /nfs/dbraw/zinc/38/16/02/357381602.db2.gz BTGHCHBQOPIFOY-SNVBAGLBSA-N 1 0 309.370 1.414 20 5 DDBDRO CC[N@@H+](Cc1cnn(C)c1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000178580368 198891579 /nfs/dbraw/zinc/89/15/79/198891579.db2.gz KQZNJXASPNFUEL-OAHLLOKOSA-N 1 0 304.350 1.884 20 5 DDBDRO Cc1n[nH]c(C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)c1[N+](=O)[O-] ZINC000598221528 357497726 /nfs/dbraw/zinc/49/77/26/357497726.db2.gz XDGICIKCXTYRMR-LLVKDONJSA-N 1 0 321.381 1.763 20 5 DDBDRO CCc1n[nH]c(C(=O)N[C@H](C)C[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000598261091 357511798 /nfs/dbraw/zinc/51/17/98/357511798.db2.gz DTTFQHYPAFHGBW-LLVKDONJSA-N 1 0 323.397 1.731 20 5 DDBDRO NC(=O)c1ccc(C[N@@H+]2CCC23CCOCC3)c([N+](=O)[O-])c1 ZINC000618318303 363582926 /nfs/dbraw/zinc/58/29/26/363582926.db2.gz PLZHSRJHYGBEOO-UHFFFAOYSA-N 1 0 305.334 1.449 20 5 DDBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)C[C@@H]1CCOC1 ZINC000178775955 198929181 /nfs/dbraw/zinc/92/91/81/198929181.db2.gz ZJFCKPPYVIDVQI-RYUDHWBXSA-N 1 0 307.350 1.890 20 5 DDBDRO Cc1ccc(S(=O)(=O)N[C@@H](C)C[NH+](C)C)c(C)c1[N+](=O)[O-] ZINC000598612785 357653363 /nfs/dbraw/zinc/65/33/63/357653363.db2.gz DCGGVXQDKXHQGF-JTQLQIEISA-N 1 0 315.395 1.440 20 5 DDBDRO COC(=O)c1ccnc(NC[C@H]2C[C@@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000598630949 357662071 /nfs/dbraw/zinc/66/20/71/357662071.db2.gz OAMYHGHUZDTPCO-AOOOYVTPSA-N 1 0 308.338 1.529 20 5 DDBDRO Cn1ccnc1[C@@H](NCC1COC1)c1ccc([N+](=O)[O-])cc1 ZINC000599079328 357808827 /nfs/dbraw/zinc/80/88/27/357808827.db2.gz DPNXININDUOBQN-AWEZNQCLSA-N 1 0 302.334 1.654 20 5 DDBDRO Cc1cc(N2CC(C[NH+]3CCN(C)CC3)C2)c(F)cc1[N+](=O)[O-] ZINC000599109926 357818520 /nfs/dbraw/zinc/81/85/20/357818520.db2.gz XXIMYEAYJUAXJS-UHFFFAOYSA-N 1 0 322.384 1.726 20 5 DDBDRO Cc1ccc(C)c(S(=O)(=O)N[C@@H]2CC[NH2+][C@H]2C)c1[N+](=O)[O-] ZINC000599111806 357818811 /nfs/dbraw/zinc/81/88/11/357818811.db2.gz NBZUDJTVQVILBB-WDEREUQCSA-N 1 0 313.379 1.240 20 5 DDBDRO Cc1cc(N[C@H]2C[C@H](C(N)=O)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000599143294 357828214 /nfs/dbraw/zinc/82/82/14/357828214.db2.gz HBPLJIVNZUWVJS-MGCOHNPYSA-N 1 0 300.318 1.549 20 5 DDBDRO O=[N+]([O-])c1cccc2c1ccnc2NCC[N@H+]1CC[C@H](O)C1 ZINC000599200154 357847295 /nfs/dbraw/zinc/84/72/95/357847295.db2.gz YGERDHNGPZXWMQ-NSHDSACASA-N 1 0 302.334 1.622 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)C[C@H]1C[C@@H](O)C1 ZINC000599669410 358017375 /nfs/dbraw/zinc/01/73/75/358017375.db2.gz DFVXZAZQBHRICE-BJHJDKERSA-N 1 0 307.350 1.544 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](CO)C(C)(C)C ZINC000180629723 199188087 /nfs/dbraw/zinc/18/80/87/199188087.db2.gz CMCBAHPUPMMTNI-CYBMUJFWSA-N 1 0 309.366 1.838 20 5 DDBDRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C1 ZINC000237424370 202260686 /nfs/dbraw/zinc/26/06/86/202260686.db2.gz HHFRQIROOMJCKM-RYUDHWBXSA-N 1 0 320.393 1.860 20 5 DDBDRO COC(=O)c1cc(-c2cnn(CC[NH+](C)C)c2)cc([N+](=O)[O-])c1 ZINC000600789276 358315046 /nfs/dbraw/zinc/31/50/46/358315046.db2.gz UKVOONDNCZNQDX-UHFFFAOYSA-N 1 0 318.333 1.807 20 5 DDBDRO Cc1cc(N2C[C@@H]3C[C@H]2C[NH2+]3)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000600962450 358359155 /nfs/dbraw/zinc/35/91/55/358359155.db2.gz XZEYKAVJBJMJTK-JSGCOSHPSA-N 1 0 311.345 1.911 20 5 DDBDRO O=[N+]([O-])c1cc(F)cnc1N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000601113104 358406301 /nfs/dbraw/zinc/40/63/01/358406301.db2.gz CGIUFUXULVFBKL-DGCLKSJQSA-N 1 0 310.329 1.164 20 5 DDBDRO COC(=O)c1cnc(N2C[C@@H]3CC[N@H+](C)C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000601184141 358437514 /nfs/dbraw/zinc/43/75/14/358437514.db2.gz IBULHIBSTHVVAW-CMPLNLGQSA-N 1 0 320.349 1.164 20 5 DDBDRO C[C@H](NS(=O)(=O)CCC[NH+](C)C)c1ccccc1[N+](=O)[O-] ZINC000601387017 358529464 /nfs/dbraw/zinc/52/94/64/358529464.db2.gz LGSQRWVFSVBYHW-NSHDSACASA-N 1 0 315.395 1.527 20 5 DDBDRO C[NH+](C)[C@H]1C[C@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)C1(C)C ZINC000602169743 358860750 /nfs/dbraw/zinc/86/07/50/358860750.db2.gz HAUWRNYJKXOEOR-RYUDHWBXSA-N 1 0 309.370 1.026 20 5 DDBDRO C[NH+](C)CC1(C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)CC1 ZINC000602145051 358844473 /nfs/dbraw/zinc/84/44/73/358844473.db2.gz WWPDSLQERGPCHN-UHFFFAOYSA-N 1 0 321.381 1.297 20 5 DDBDRO C[N@@H+]1CC[C@@H](CC(=O)N[C@](C)(CO)c2cccc([N+](=O)[O-])c2)C1 ZINC000602195460 358876716 /nfs/dbraw/zinc/87/67/16/358876716.db2.gz LSUJJTKVKJUDQE-BLLLJJGKSA-N 1 0 321.377 1.260 20 5 DDBDRO CO[C@H](C[NH2+]CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCOC1 ZINC000602538520 359034168 /nfs/dbraw/zinc/03/41/68/359034168.db2.gz FVFRKDWFWMLXLR-IUODEOHRSA-N 1 0 310.350 1.615 20 5 DDBDRO O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000602605137 359068898 /nfs/dbraw/zinc/06/88/98/359068898.db2.gz UZVHVRLKYKULSP-IINYFYTJSA-N 1 0 307.325 1.948 20 5 DDBDRO CC1(C)[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C[C@@H]1O ZINC000602620237 359078629 /nfs/dbraw/zinc/07/86/29/359078629.db2.gz AAPVKGQMYUWFNR-KGLIPLIRSA-N 1 0 320.393 1.708 20 5 DDBDRO Cn1cc(CCCN(CC[NH3+])c2ccccc2[N+](=O)[O-])cn1 ZINC000602659682 359107243 /nfs/dbraw/zinc/10/72/43/359107243.db2.gz QWGDKUFDKZDDTB-UHFFFAOYSA-N 1 0 303.366 1.726 20 5 DDBDRO [NH3+][C@@H]1CCCCCN(C(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000602579972 359053350 /nfs/dbraw/zinc/05/33/50/359053350.db2.gz VMTVDWBSWDRRAA-GFCCVEGCSA-N 1 0 307.350 1.704 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000602784993 359190167 /nfs/dbraw/zinc/19/01/67/359190167.db2.gz QVMXZSIOTLZBTR-NWDGAFQWSA-N 1 0 312.395 1.306 20 5 DDBDRO C[C@@H](O)C1([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1 ZINC000602717891 359146954 /nfs/dbraw/zinc/14/69/54/359146954.db2.gz JTVLMFTZRSSPBX-LLVKDONJSA-N 1 0 306.366 1.462 20 5 DDBDRO C[C@H]1CC(C)(C)C[C@](CO)([NH2+]Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602793215 359194936 /nfs/dbraw/zinc/19/49/36/359194936.db2.gz HXJNLILJEOHGSZ-XHDPSFHLSA-N 1 0 310.398 1.995 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000602795300 359197771 /nfs/dbraw/zinc/19/77/71/359197771.db2.gz HUHOLHMXOWNHJD-GXTWGEPZSA-N 1 0 318.381 1.879 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CCN1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000602830515 359222473 /nfs/dbraw/zinc/22/24/73/359222473.db2.gz LXPKMLKGWOINCS-OCCSQVGLSA-N 1 0 307.398 1.658 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(c2ccon2)CC1 ZINC000602903450 359284688 /nfs/dbraw/zinc/28/46/88/359284688.db2.gz PXJDCSUDMYCJSC-UHFFFAOYSA-N 1 0 305.338 1.967 20 5 DDBDRO CC(=O)NC[C@@H]1CCCC[N@@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602915330 359292030 /nfs/dbraw/zinc/29/20/30/359292030.db2.gz BAGAUWUFJGUZHV-ZDUSSCGKSA-N 1 0 309.370 1.090 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+]C(C)(C)CC(N)=O ZINC000186237509 199932656 /nfs/dbraw/zinc/93/26/56/199932656.db2.gz WGFBMMCKKOZYLS-UHFFFAOYSA-N 1 0 322.365 1.475 20 5 DDBDRO C[C@](CO)([NH2+]CCOCC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000602961757 359324882 /nfs/dbraw/zinc/32/48/82/359324882.db2.gz CHNIPWIYOCWLSR-CYBMUJFWSA-N 1 0 304.293 1.674 20 5 DDBDRO Cn1cc(CC[NH2+][C@@](C)(CO)c2cccc([N+](=O)[O-])c2)cn1 ZINC000602961751 359325769 /nfs/dbraw/zinc/32/57/69/359325769.db2.gz CEVOHIHHNNIFDL-HNNXBMFYSA-N 1 0 304.350 1.368 20 5 DDBDRO O=[N+]([O-])c1ccc(OCCn2cc([C@@H]3CCC[NH2+]C3)nn2)cc1 ZINC000603200219 359475959 /nfs/dbraw/zinc/47/59/59/359475959.db2.gz GCFNXNBBOMLASM-GFCCVEGCSA-N 1 0 317.349 1.732 20 5 DDBDRO O=[N+]([O-])c1cccc(OCCn2cc(C[NH2+]C3CC3)nn2)c1 ZINC000603201098 359476758 /nfs/dbraw/zinc/47/67/58/359476758.db2.gz MZOMJLNJPLABDZ-UHFFFAOYSA-N 1 0 303.322 1.517 20 5 DDBDRO C[NH2+]Cc1cn(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)nn1 ZINC000603236975 359505442 /nfs/dbraw/zinc/50/54/42/359505442.db2.gz RFLPQBPMYXHANK-UHFFFAOYSA-N 1 0 315.255 1.973 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1Cn1cc(C2CC[NH2+]CC2)nn1 ZINC000603242571 359508918 /nfs/dbraw/zinc/50/89/18/359508918.db2.gz CXUYLLWVRIJKMB-UHFFFAOYSA-N 1 0 317.349 1.710 20 5 DDBDRO CCN(CCC[NH+](CC)CC)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000276303356 212789321 /nfs/dbraw/zinc/78/93/21/212789321.db2.gz ARZXQULKABGVPT-UHFFFAOYSA-N 1 0 311.386 1.372 20 5 DDBDRO Cc1nn(C)c(NC2CC[NH+](C3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000603407610 359621306 /nfs/dbraw/zinc/62/13/06/359621306.db2.gz HNDPQPVASVXGAB-UHFFFAOYSA-N 1 0 323.397 1.692 20 5 DDBDRO Cn1cc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c([N+](=O)[O-])n1 ZINC000603429046 359635020 /nfs/dbraw/zinc/63/50/20/359635020.db2.gz LIJUMOIRINNHBR-ZDUSSCGKSA-N 1 0 307.398 1.540 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[N@H+](CCO)[C@H](C)C1 ZINC000187675219 200143700 /nfs/dbraw/zinc/14/37/00/200143700.db2.gz IIRBQNMORBKUNW-GFCCVEGCSA-N 1 0 309.366 1.102 20 5 DDBDRO C[C@H]1CN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000187743268 200151993 /nfs/dbraw/zinc/15/19/93/200151993.db2.gz SZKWSCAAEGVIMB-NSHDSACASA-N 1 0 313.785 1.747 20 5 DDBDRO Cn1cc(C(=O)N2CC[NH2+]CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237882160 202378516 /nfs/dbraw/zinc/37/85/16/202378516.db2.gz ICVKMCMQBXGTIQ-UHFFFAOYSA-N 1 0 315.333 1.041 20 5 DDBDRO [NH3+][C@@H]1CCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000237926278 202392451 /nfs/dbraw/zinc/39/24/51/202392451.db2.gz JIEGRBZASUJCBU-GFCCVEGCSA-N 1 0 304.350 1.368 20 5 DDBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccncc2[N+](=O)[O-])C[C@@H]1C ZINC000359020302 299308849 /nfs/dbraw/zinc/30/88/49/299308849.db2.gz PUAGKZAOZTWVGH-RYUDHWBXSA-N 1 0 321.381 1.748 20 5 DDBDRO C[N@@H+]1CCC[C@@H](NC(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000611147069 360637221 /nfs/dbraw/zinc/63/72/21/360637221.db2.gz UFJIKTOPYUKBQZ-CYBMUJFWSA-N 1 0 306.366 1.531 20 5 DDBDRO COC(=O)[C@@H](C)C[N@H+](C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611261059 360681913 /nfs/dbraw/zinc/68/19/13/360681913.db2.gz IESVIGLCZYKDKA-JTQLQIEISA-N 1 0 324.333 1.607 20 5 DDBDRO CNC(=O)CCC[N@H+](C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611274433 360686805 /nfs/dbraw/zinc/68/68/05/360686805.db2.gz CVUBSMRFZZTEEI-UHFFFAOYSA-N 1 0 323.349 1.324 20 5 DDBDRO CC[C@H]1C[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCCO1 ZINC000281291878 216215968 /nfs/dbraw/zinc/21/59/68/216215968.db2.gz GXTOBPPXXVPZPQ-KGLIPLIRSA-N 1 0 324.377 1.835 20 5 DDBDRO COCC1([N@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000612110826 360923309 /nfs/dbraw/zinc/92/33/09/360923309.db2.gz YIYXVOWGQGXLHK-LBPRGKRZSA-N 1 0 310.350 1.445 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H]1CC[C@@H](CO)O1 ZINC000292726034 223219276 /nfs/dbraw/zinc/21/92/76/223219276.db2.gz PQUMBCSQBMIHMI-KGLIPLIRSA-N 1 0 310.350 1.623 20 5 DDBDRO CCOc1cccc(N2CC[NH+](C(C)(C)CO)CC2)c1[N+](=O)[O-] ZINC000613045034 361253091 /nfs/dbraw/zinc/25/30/91/361253091.db2.gz ZCEAKLFRZMMCEH-UHFFFAOYSA-N 1 0 323.393 1.886 20 5 DDBDRO Cc1cc(C)c(S(=O)(=O)NCC[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000193253054 201015033 /nfs/dbraw/zinc/01/50/33/201015033.db2.gz JSBLGPUAKLVOAA-JTQLQIEISA-N 1 0 301.368 1.227 20 5 DDBDRO CC(C)(C[NH3+])NS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000193261100 201015504 /nfs/dbraw/zinc/01/55/04/201015504.db2.gz RVLWCEKENBAYAT-UHFFFAOYSA-N 1 0 324.362 1.159 20 5 DDBDRO Cc1ccc(S(=O)(=O)N[C@H]2C[NH2+]CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000193415306 201049014 /nfs/dbraw/zinc/04/90/14/201049014.db2.gz IBFCZTBOKJUCHB-CABZTGNLSA-N 1 0 313.379 1.180 20 5 DDBDRO Cc1cc(S(=O)(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000193399590 201046648 /nfs/dbraw/zinc/04/66/48/201046648.db2.gz BRWZUZOFAIGWRS-JOYOIKCWSA-N 1 0 313.379 1.180 20 5 DDBDRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000618923019 363802399 /nfs/dbraw/zinc/80/23/99/363802399.db2.gz AMBJSHWSLARGCG-HNNXBMFYSA-N 1 0 307.350 1.124 20 5 DDBDRO COc1c(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)cccc1[N+](=O)[O-] ZINC000619438225 364008956 /nfs/dbraw/zinc/00/89/56/364008956.db2.gz QQGCTWKSMDFNNA-NEPJUHHUSA-N 1 0 319.361 1.912 20 5 DDBDRO CCn1nc(C)c([N+](=O)[O-])c1NCCCN1CCC[N@H+](C)CC1 ZINC000619479149 364029599 /nfs/dbraw/zinc/02/95/99/364029599.db2.gz XZOQGIDUMBBQGA-UHFFFAOYSA-N 1 0 324.429 1.559 20 5 DDBDRO CC[C@H]1C[N@H+](C)CCCN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000619566959 364062981 /nfs/dbraw/zinc/06/29/81/364062981.db2.gz CUDBQUSFACCPNA-ZDUSSCGKSA-N 1 0 321.377 1.916 20 5 DDBDRO Cc1ccc(C[NH2+]C2CC(NS(C)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000619748047 364140253 /nfs/dbraw/zinc/14/02/53/364140253.db2.gz YVNLUBDEZMYXHU-UHFFFAOYSA-N 1 0 313.379 1.073 20 5 DDBDRO CCC[C@@H]1C[NH2+]CCN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000359208172 299355791 /nfs/dbraw/zinc/35/57/91/299355791.db2.gz HYZXCTPAZHFILG-LLVKDONJSA-N 1 0 317.349 1.685 20 5 DDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)CC[NH3+])cc1OC ZINC000349918445 284106087 /nfs/dbraw/zinc/10/60/87/284106087.db2.gz UQZLFCUMLNDGDY-VIFPVBQESA-N 1 0 311.338 1.469 20 5 DDBDRO C[C@@H](NC(=O)C1(C[NH3+])CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000262105402 203200569 /nfs/dbraw/zinc/20/05/69/203200569.db2.gz JHRUGGZKMZCZSJ-LLVKDONJSA-N 1 0 307.350 1.528 20 5 DDBDRO O=C(C[C@H]1COCC[NH2+]1)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000262524310 203320134 /nfs/dbraw/zinc/32/01/34/203320134.db2.gz LCUHFOJCABTBML-JTQLQIEISA-N 1 0 313.741 1.243 20 5 DDBDRO COc1ccc(C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000262580463 203338774 /nfs/dbraw/zinc/33/87/74/203338774.db2.gz YVWBGJHULNHREQ-NEPJUHHUSA-N 1 0 305.334 1.427 20 5 DDBDRO Cc1cc(C(=O)NC[C@@H](C)N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000265002111 204336103 /nfs/dbraw/zinc/33/61/03/204336103.db2.gz DZXWRJNQHOUPDQ-CYBMUJFWSA-N 1 0 320.393 1.269 20 5 DDBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000266418136 205330723 /nfs/dbraw/zinc/33/07/23/205330723.db2.gz PDQDLBBEIAIUMO-CQSZACIVSA-N 1 0 305.378 1.938 20 5 DDBDRO O=C([C@@H]1CC12CC[NH2+]CC2)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000237929886 284459313 /nfs/dbraw/zinc/45/93/13/284459313.db2.gz FMJRLJBLWTTYJD-ZDUSSCGKSA-N 1 0 301.346 1.874 20 5 DDBDRO C[C@H](CC[NH3+])NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000336818313 249236508 /nfs/dbraw/zinc/23/65/08/249236508.db2.gz VACLXOFDCXAZIX-SSDOTTSWSA-N 1 0 307.759 1.264 20 5 DDBDRO CC(C)[C@H](CCO)[NH2+][C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000274072473 211328849 /nfs/dbraw/zinc/32/88/49/211328849.db2.gz RMMPREQZRSSLOF-NEPJUHHUSA-N 1 0 309.366 1.918 20 5 DDBDRO COc1ccc(NC(=O)CC[N@H+](C)C[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000159407503 197351375 /nfs/dbraw/zinc/35/13/75/197351375.db2.gz CXWFNGLQGBDAKS-SNVBAGLBSA-N 1 0 311.338 1.245 20 5 DDBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]([NH+](C)C)C1 ZINC000109806066 194287681 /nfs/dbraw/zinc/28/76/81/194287681.db2.gz UGANIMXVOKTLCZ-WFASDCNBSA-N 1 0 320.393 1.948 20 5 DDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC[C@@H]([NH+](C)C)C1 ZINC000110509702 194336253 /nfs/dbraw/zinc/33/62/53/194336253.db2.gz IGUITBWBCLYKIW-GFCCVEGCSA-N 1 0 306.366 1.485 20 5 DDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@H]2CC[C@@H](CO)O2)n1 ZINC000340411169 251052738 /nfs/dbraw/zinc/05/27/38/251052738.db2.gz DDYLXYDAFKTFCR-ZOBORPQBSA-N 1 0 324.381 1.405 20 5 DDBDRO C[C@@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)[N@H+](C)C1CC1 ZINC000057706789 184047914 /nfs/dbraw/zinc/04/79/14/184047914.db2.gz AECBYLULQWFWTM-QMMMGPOBSA-N 1 0 310.329 1.529 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@H](O)C[C@@H]1C ZINC000340904193 251267094 /nfs/dbraw/zinc/26/70/94/251267094.db2.gz JAGOJEHLMOKFGU-CMPLNLGQSA-N 1 0 323.349 1.387 20 5 DDBDRO C[C@@H]1C[C@@H](O)C[N@@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000340921185 251278350 /nfs/dbraw/zinc/27/83/50/251278350.db2.gz XLEBANITEIXGNR-ZYHUDNBSSA-N 1 0 321.333 1.348 20 5 DDBDRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000341052801 251357244 /nfs/dbraw/zinc/35/72/44/251357244.db2.gz FXHDSUSTZANVNR-RYUDHWBXSA-N 1 0 309.370 1.170 20 5 DDBDRO O=C(NCC[C@@H]1CC[NH2+]C1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000269171578 207292619 /nfs/dbraw/zinc/29/26/19/207292619.db2.gz JFLBMWMWJYNRHC-JTQLQIEISA-N 1 0 321.333 1.095 20 5 DDBDRO COc1cc(C(=O)N2CCC(C[NH3+])CC2)cc([N+](=O)[O-])c1OC ZINC000269188249 207309130 /nfs/dbraw/zinc/30/91/30/207309130.db2.gz NPYJSZFGQRCRIV-UHFFFAOYSA-N 1 0 323.349 1.423 20 5 DDBDRO C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N(C)C)[C@@H]1CCC[NH2+]C1 ZINC000269219119 207337279 /nfs/dbraw/zinc/33/72/79/207337279.db2.gz RWEYZWJCIJHOKX-NWDGAFQWSA-N 1 0 320.393 1.779 20 5 DDBDRO C[NH2+][C@@H]1CCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000435376296 532971915 /nfs/dbraw/zinc/97/19/15/532971915.db2.gz QLHQDGRTGLQLNH-CQSZACIVSA-N 1 0 315.377 1.789 20 5 DDBDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000417237700 532987530 /nfs/dbraw/zinc/98/75/30/532987530.db2.gz XMMMYNMZDQRAAM-DGCLKSJQSA-N 1 0 306.366 1.516 20 5 DDBDRO CCCC[NH+]1CCC(NC(=O)c2c([N+](=O)[O-])cnn2C)CC1 ZINC000119846027 195047505 /nfs/dbraw/zinc/04/75/05/195047505.db2.gz XDZAHXKQQFRTFF-UHFFFAOYSA-N 1 0 309.370 1.323 20 5 DDBDRO C[NH2+][C@H]1CCCN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000415357807 533014168 /nfs/dbraw/zinc/01/41/68/533014168.db2.gz JKDUKNKPXFTJOX-NSHDSACASA-N 1 0 320.349 1.052 20 5 DDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](CCO)CC1CC1 ZINC000352459517 285064397 /nfs/dbraw/zinc/06/43/97/285064397.db2.gz ZUCQIVCFBAREPF-LLVKDONJSA-N 1 0 307.350 1.626 20 5 DDBDRO O=C1OCC[C@@H]1CC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000120174260 195111544 /nfs/dbraw/zinc/11/15/44/195111544.db2.gz OBPHHKPOSPKKQS-ZDUSSCGKSA-N 1 0 319.361 1.670 20 5 DDBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@H](O)Cn1cccn1 ZINC000352545621 285130797 /nfs/dbraw/zinc/13/07/97/285130797.db2.gz YSGPKOGIOJBVIV-AWEZNQCLSA-N 1 0 304.350 1.327 20 5 DDBDRO C[C@@H](NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)c1cccc([N+](=O)[O-])c1 ZINC000417136990 533134441 /nfs/dbraw/zinc/13/44/41/533134441.db2.gz LUUXHXAESBYYGJ-QKCSRTOESA-N 1 0 304.350 1.659 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)[C@H]1CCC[C@H]1O ZINC000352660393 285204571 /nfs/dbraw/zinc/20/45/71/285204571.db2.gz NUEHBPXFQUBLAS-WCQYABFASA-N 1 0 307.350 1.687 20 5 DDBDRO C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000120720409 195223169 /nfs/dbraw/zinc/22/31/69/195223169.db2.gz JCPICLMJHBKONE-KWCYVHTRSA-N 1 0 310.398 1.957 20 5 DDBDRO CC(C)(C)n1cc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])nn1 ZINC000289657760 221134098 /nfs/dbraw/zinc/13/40/98/221134098.db2.gz CPWPIBQTXMCLPC-UHFFFAOYSA-N 1 0 318.381 1.907 20 5 DDBDRO CC[NH+](CC)[C@@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)CC(C)C ZINC000352843022 285331295 /nfs/dbraw/zinc/33/12/95/285331295.db2.gz ODVWHOLEBXWUOJ-LLVKDONJSA-N 1 0 311.386 1.804 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)NCCC[C@H]1CCC[NH2+]1 ZINC000294986116 224359934 /nfs/dbraw/zinc/35/99/34/224359934.db2.gz YQQYBMWACBSNIJ-GFCCVEGCSA-N 1 0 307.350 1.622 20 5 DDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000414662783 224369543 /nfs/dbraw/zinc/36/95/43/224369543.db2.gz RIBHJGYGSYQROT-SNVBAGLBSA-N 1 0 300.265 1.714 20 5 DDBDRO O=C(Cc1ccccc1[N+](=O)[O-])N[C@H](CO)C[NH+]1CCCCC1 ZINC000352868523 285347328 /nfs/dbraw/zinc/34/73/28/285347328.db2.gz SRTHPUAVZPQRSP-AWEZNQCLSA-N 1 0 321.377 1.100 20 5 DDBDRO COc1cccc(C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)c1[N+](=O)[O-] ZINC000444366720 533413000 /nfs/dbraw/zinc/41/30/00/533413000.db2.gz YBHCDAWBFGPAFJ-NSHDSACASA-N 1 0 319.361 1.984 20 5 DDBDRO CO[C@@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H]1C ZINC000451578520 533415471 /nfs/dbraw/zinc/41/54/71/533415471.db2.gz XKIGOQXZHCKPGW-QMTHXVAHSA-N 1 0 307.350 1.551 20 5 DDBDRO C[C@H](NC(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000417126717 533608816 /nfs/dbraw/zinc/60/88/16/533608816.db2.gz DUKVMVVKUHDTEE-UBHSHLNASA-N 1 0 318.377 1.907 20 5 DDBDRO C[C@H](NC(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000417126718 533603689 /nfs/dbraw/zinc/60/36/89/533603689.db2.gz DUKVMVVKUHDTEE-YUTCNCBUSA-N 1 0 318.377 1.907 20 5 DDBDRO C[C@@H]1C[C@@H](NC(=O)COc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000330895785 533604155 /nfs/dbraw/zinc/60/41/55/533604155.db2.gz GJWAYHMYYYVHRG-NEPJUHHUSA-N 1 0 307.350 1.573 20 5 DDBDRO COc1ccc(C[NH2+]C[C@@H]2CCN(C)C(=O)C2)cc1[N+](=O)[O-] ZINC000424189196 533667664 /nfs/dbraw/zinc/66/76/64/533667664.db2.gz LVGVOKYYJZJYSR-GFCCVEGCSA-N 1 0 307.350 1.561 20 5 DDBDRO COc1ccc(CC(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000579702866 422816586 /nfs/dbraw/zinc/81/65/86/422816586.db2.gz PYRYUZPZIRUXHT-WCQYABFASA-N 1 0 321.377 1.874 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC3(CC[NH2+]3)CC2)c1 ZINC000569118260 304337339 /nfs/dbraw/zinc/33/73/39/304337339.db2.gz FJUOZDWFZRHENI-UHFFFAOYSA-N 1 0 305.334 1.572 20 5 DDBDRO CSCC[C@H]([NH3+])C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000570568341 304415736 /nfs/dbraw/zinc/41/57/36/304415736.db2.gz UGNSBNGLVFECNM-LBPRGKRZSA-N 1 0 313.379 1.170 20 5 DDBDRO CCCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000071330330 406837437 /nfs/dbraw/zinc/83/74/37/406837437.db2.gz ROCNQSDRXBAHND-GFCCVEGCSA-N 1 0 313.379 1.357 20 5 DDBDRO CCOC(=O)c1ccnc(NCC[N@H+](C)C(C)C)c1[N+](=O)[O-] ZINC000077961065 407016294 /nfs/dbraw/zinc/01/62/94/407016294.db2.gz TXJVFRBPLSWCIB-UHFFFAOYSA-N 1 0 310.354 1.919 20 5 DDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000044492850 407024699 /nfs/dbraw/zinc/02/46/99/407024699.db2.gz JJCFJZUGRPTGMF-NSHDSACASA-N 1 0 313.379 1.324 20 5 DDBDRO COCC(=O)N1CCC([NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000037563111 406990559 /nfs/dbraw/zinc/99/05/59/406990559.db2.gz ZBWUEDCGARWRGE-UHFFFAOYSA-N 1 0 313.379 1.383 20 5 DDBDRO C[NH+]1CCC(CCNC(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000102639914 407325111 /nfs/dbraw/zinc/32/51/11/407325111.db2.gz DJYXABRKZXDEQE-UHFFFAOYSA-N 1 0 309.370 1.030 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCC[N@H+](C)CC1 ZINC000097617569 407300505 /nfs/dbraw/zinc/30/05/05/407300505.db2.gz SPELIZLIYXGCQL-UHFFFAOYSA-N 1 0 306.366 1.439 20 5 DDBDRO O=C(N[C@H]1CCC[NH2+]C1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000124184038 407351004 /nfs/dbraw/zinc/35/10/04/407351004.db2.gz NTSRFHCHUGVDNI-LBPRGKRZSA-N 1 0 315.333 1.262 20 5 DDBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1CC[NH2+]C1 ZINC000126907847 407423920 /nfs/dbraw/zinc/42/39/20/407423920.db2.gz WSDKHGSKFCYESQ-SNVBAGLBSA-N 1 0 313.741 1.495 20 5 DDBDRO O=C(N[C@@H]1CC[NH2+]C1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000127886647 407474775 /nfs/dbraw/zinc/47/47/75/407474775.db2.gz XGDRPVSXWVSNEH-SNVBAGLBSA-N 1 0 318.358 1.810 20 5 DDBDRO CSCC[C@H]([NH3+])C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000151711720 407483548 /nfs/dbraw/zinc/48/35/48/407483548.db2.gz IFGATPLRWSCHPI-JTQLQIEISA-N 1 0 312.395 1.203 20 5 DDBDRO CC[NH+]1CCN([C@H](C)CNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000112917735 407446011 /nfs/dbraw/zinc/44/60/11/407446011.db2.gz VQEFANGUPPZSAW-CYBMUJFWSA-N 1 0 320.393 1.351 20 5 DDBDRO O=C(NC[C@H]1CCC[NH2+]1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000178735363 407572677 /nfs/dbraw/zinc/57/26/77/407572677.db2.gz GXFOOQRNYAJOFV-GFCCVEGCSA-N 1 0 318.377 1.677 20 5 DDBDRO O=C(C[C@H]1CSCC[NH2+]1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000178753281 407582726 /nfs/dbraw/zinc/58/27/26/407582726.db2.gz BUNQLZDVGIWPKM-JTQLQIEISA-N 1 0 307.375 1.579 20 5 DDBDRO C[NH2+][C@H]1CCCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000261744519 407598657 /nfs/dbraw/zinc/59/86/57/407598657.db2.gz LBOCLZHNKUUVLB-ZDUSSCGKSA-N 1 0 320.393 1.916 20 5 DDBDRO CC[N@H+](CCCO)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000266872381 407656122 /nfs/dbraw/zinc/65/61/22/407656122.db2.gz QRCFISAXBPLACO-UHFFFAOYSA-N 1 0 309.366 1.936 20 5 DDBDRO COC[C@H](O)C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000130234196 407667635 /nfs/dbraw/zinc/66/76/35/407667635.db2.gz LANASAZDDMFUGR-YUELXQCFSA-N 1 0 308.378 1.903 20 5 DDBDRO C[NH2+]CCC1CCN(C(=O)c2cc([N+](=O)[O-])cnc2C)CC1 ZINC000261984974 407702038 /nfs/dbraw/zinc/70/20/38/407702038.db2.gz DCLYEUOEXVRODW-UHFFFAOYSA-N 1 0 306.366 1.760 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000235665574 407720698 /nfs/dbraw/zinc/72/06/98/407720698.db2.gz BYYPVWYBTPZERW-WDEREUQCSA-N 1 0 313.379 1.322 20 5 DDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000235722800 407722747 /nfs/dbraw/zinc/72/27/47/407722747.db2.gz OKNRATRWQDDADT-ONGXEEELSA-N 1 0 313.379 1.322 20 5 DDBDRO CC(C)C[C@@](C)(C[NH3+])NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000236665309 407743989 /nfs/dbraw/zinc/74/39/89/407743989.db2.gz WSPJIQOSAYYYAK-INIZCTEOSA-N 1 0 322.409 1.911 20 5 DDBDRO CCCC[C@@H]([NH3+])C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000236720545 407761514 /nfs/dbraw/zinc/76/15/14/407761514.db2.gz CEDCRZBQCWMKLF-CYBMUJFWSA-N 1 0 320.393 1.761 20 5 DDBDRO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CC[NH+]2CCC1CC2 ZINC000116556281 407763099 /nfs/dbraw/zinc/76/30/99/407763099.db2.gz ZFLOFDWAOUVCPH-UHFFFAOYSA-N 1 0 315.333 1.391 20 5 DDBDRO C[NH+](C)[C@]1(CNC(=O)Cc2ccccc2[N+](=O)[O-])CCSC1 ZINC000267148710 407766882 /nfs/dbraw/zinc/76/68/82/407766882.db2.gz WENMHZAXTRPPAH-HNNXBMFYSA-N 1 0 323.418 1.691 20 5 DDBDRO CCCC[C@@H](C[NH3+])NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000236898393 407783068 /nfs/dbraw/zinc/78/30/68/407783068.db2.gz WUIQEPSTFOPKQR-LBPRGKRZSA-N 1 0 315.395 1.532 20 5 DDBDRO CO[C@@H]1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000262302673 407790548 /nfs/dbraw/zinc/79/05/48/407790548.db2.gz OUDRFWALLDRAOX-CHWSQXEVSA-N 1 0 307.350 1.102 20 5 DDBDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000272179392 407804982 /nfs/dbraw/zinc/80/49/82/407804982.db2.gz DCLSFPXOJDZDGC-PWSUYJOCSA-N 1 0 318.377 1.978 20 5 DDBDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])C1 ZINC000272185222 407808495 /nfs/dbraw/zinc/80/84/95/407808495.db2.gz DOKDQONNFNDELJ-VXGBXAGGSA-N 1 0 306.366 1.227 20 5 DDBDRO C[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)[C@@H]1C[NH3+] ZINC000237509159 407823018 /nfs/dbraw/zinc/82/30/18/407823018.db2.gz KESPKXDKXNKXGH-DTWKUNHWSA-N 1 0 319.408 1.404 20 5 DDBDRO NC(=O)c1ccc(C[N@@H+]2CC[C@]3(CCOC3)C2)c([N+](=O)[O-])c1 ZINC000153599419 407857838 /nfs/dbraw/zinc/85/78/38/407857838.db2.gz XZLWSHYLQXHSPL-HNNXBMFYSA-N 1 0 305.334 1.306 20 5 DDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2CCCC[NH2+]2)s1 ZINC000237970470 407860063 /nfs/dbraw/zinc/86/00/63/407860063.db2.gz GAHSJVMQUJEASD-QMMMGPOBSA-N 1 0 305.381 1.077 20 5 DDBDRO Cc1c(CC(=O)N[C@@H](C)[C@@H]2CN(C)CCO2)cccc1[N+](=O)[O-] ZINC000133796336 407871160 /nfs/dbraw/zinc/87/11/60/407871160.db2.gz ZJVYPMFOOOKJHT-WFASDCNBSA-N 1 0 321.377 1.281 20 5 DDBDRO Cc1nn(CCC(=O)NC[C@H]2CCCC[NH2+]2)c(C)c1[N+](=O)[O-] ZINC000237872634 407846880 /nfs/dbraw/zinc/84/68/80/407846880.db2.gz CXJSYAAZLDDNSI-GFCCVEGCSA-N 1 0 309.370 1.057 20 5 DDBDRO [NH3+][C@H]1CCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000237853821 407848316 /nfs/dbraw/zinc/84/83/16/407848316.db2.gz OMILYLOSPDMBKT-JTQLQIEISA-N 1 0 318.358 1.892 20 5 DDBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000268177655 407930340 /nfs/dbraw/zinc/93/03/40/407930340.db2.gz KWSHIZRJLPPIEF-NHYWBVRUSA-N 1 0 319.361 1.573 20 5 DDBDRO Cc1ccc(S(=O)(=O)N[C@@H]2CC[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC000262810744 407941530 /nfs/dbraw/zinc/94/15/30/407941530.db2.gz XZXNRAVCPKCHQE-ZYHUDNBSSA-N 1 0 313.379 1.180 20 5 DDBDRO Cn1ncc2c1CCC[C@H]2[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000135561188 408030887 /nfs/dbraw/zinc/03/08/87/408030887.db2.gz NVECDCTZMCOIPT-GFCCVEGCSA-N 1 0 304.354 1.534 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCO[C@@H]2CCC[C@H]21 ZINC000273084929 408050214 /nfs/dbraw/zinc/05/02/14/408050214.db2.gz YOOSLURCAYKTKK-UMVBOHGHSA-N 1 0 322.361 1.588 20 5 DDBDRO C[NH+](C)CCN(Cc1ccccc1)c1ncc([N+](=O)[O-])c(N)n1 ZINC000268324170 407999739 /nfs/dbraw/zinc/99/97/39/407999739.db2.gz NRMZUFRBHYVHBV-UHFFFAOYSA-N 1 0 316.365 1.535 20 5 DDBDRO CC[C@@]1(CO)CCC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000189636336 408069105 /nfs/dbraw/zinc/06/91/05/408069105.db2.gz HVNWALKQKDPUCI-INIZCTEOSA-N 1 0 321.377 1.795 20 5 DDBDRO CNC(=O)CCC[N@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000154776937 408083124 /nfs/dbraw/zinc/08/31/24/408083124.db2.gz WMTGXZGOGRUMNE-NSHDSACASA-N 1 0 322.365 1.380 20 5 DDBDRO C[C@@H](O)C[C@@H]1CCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182242480 408104151 /nfs/dbraw/zinc/10/41/51/408104151.db2.gz LTJHUTQBLAQSHH-RDBSUJKOSA-N 1 0 324.377 1.570 20 5 DDBDRO C[C@@H](CCNC(=O)c1c([N+](=O)[O-])cnn1C)[NH+]1CCCCC1 ZINC000182256449 408107550 /nfs/dbraw/zinc/10/75/50/408107550.db2.gz SVMGQJHJMUNXEU-NSHDSACASA-N 1 0 309.370 1.323 20 5 DDBDRO COCC[NH+]1CCC(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000141451972 408179303 /nfs/dbraw/zinc/17/93/03/408179303.db2.gz GUQDLNVIXZULMH-UHFFFAOYSA-N 1 0 321.377 1.744 20 5 DDBDRO CC(=O)N1CCN(CC[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000268845952 408215181 /nfs/dbraw/zinc/21/51/81/408215181.db2.gz VHRPFSFPFRKUTL-CYBMUJFWSA-N 1 0 320.393 1.410 20 5 DDBDRO C[C@H]([NH2+]CCCN1CCC[C@H]1C(N)=O)c1ccc([N+](=O)[O-])cc1 ZINC000268966068 408223202 /nfs/dbraw/zinc/22/32/02/408223202.db2.gz YMDCZEFZDXGTBS-WFASDCNBSA-N 1 0 320.393 1.585 20 5 DDBDRO C[C@@H]1CCCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)[C@H]1C[NH3+] ZINC000156654767 408270683 /nfs/dbraw/zinc/27/06/83/408270683.db2.gz FIMBZDGVSAXHPG-RNCFNFMXSA-N 1 0 317.349 1.671 20 5 DDBDRO O=C(NCC1CC1)[C@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176210422 408308511 /nfs/dbraw/zinc/30/85/11/408308511.db2.gz SIZWUWPDOLROML-ZDUSSCGKSA-N 1 0 321.381 1.030 20 5 DDBDRO O=[N+]([O-])c1ccn(CCN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC000134893625 162090921 /nfs/dbraw/zinc/09/09/21/162090921.db2.gz IPUKQCNMPHFQGS-HIFRSBDPSA-N 1 0 319.409 1.740 20 5 DDBDRO C[C@@H](O)[C@H]1CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000183225449 408360483 /nfs/dbraw/zinc/36/04/83/408360483.db2.gz QQHCYTHPSTUFMN-DYEKYZERSA-N 1 0 310.350 1.037 20 5 DDBDRO CC(C)(O)C[NH+]1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000171149342 162206528 /nfs/dbraw/zinc/20/65/28/162206528.db2.gz AGZAOZUYGAORDP-UHFFFAOYSA-N 1 0 307.394 1.526 20 5 DDBDRO CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000171268651 162211184 /nfs/dbraw/zinc/21/11/84/162211184.db2.gz ZVQQJKGEKXIQBQ-GFCCVEGCSA-N 1 0 307.350 1.818 20 5 DDBDRO O=C(CNc1ccccc1[N+](=O)[O-])N1CC[C@H]([NH+]2CCCC2)C1 ZINC000171452302 162219632 /nfs/dbraw/zinc/21/96/32/162219632.db2.gz AXDPZLCWSNWFMC-ZDUSSCGKSA-N 1 0 318.377 1.703 20 5 DDBDRO Nc1c(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc(F)cc1[N+](=O)[O-] ZINC000159467979 408411150 /nfs/dbraw/zinc/41/11/50/408411150.db2.gz BVOYUFKVUZXIGQ-AOOOYVTPSA-N 1 0 308.313 1.283 20 5 DDBDRO COCC[N@@H+]1CC[C@@H](NC(=O)c2cc(C)cc([N+](=O)[O-])c2)C1 ZINC000264456513 408497491 /nfs/dbraw/zinc/49/74/91/408497491.db2.gz DMGOSDSNEXQLDJ-CYBMUJFWSA-N 1 0 307.350 1.354 20 5 DDBDRO Cc1ccc(NCCC[N@@H+]2CCC[C@@H]2C(N)=O)c([N+](=O)[O-])c1 ZINC000269913048 408466649 /nfs/dbraw/zinc/46/66/49/408466649.db2.gz IRUXMTHNEDNLKR-CYBMUJFWSA-N 1 0 306.366 1.655 20 5 DDBDRO C[C@H](O)C[N@@H+]1CCN(c2c3c(ccc2[N+](=O)[O-])NCC3)C[C@H]1C ZINC000275387152 408588160 /nfs/dbraw/zinc/58/81/60/408588160.db2.gz PYSWOEPDMHWHBM-NEPJUHHUSA-N 1 0 320.393 1.454 20 5 DDBDRO C[N@H+](CCCO)C1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000265241406 408589105 /nfs/dbraw/zinc/58/91/05/408589105.db2.gz TZVPLAZGSQHVPX-UHFFFAOYSA-N 1 0 307.394 1.873 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c1 ZINC000192530701 408604802 /nfs/dbraw/zinc/60/48/02/408604802.db2.gz YXKAWHLWYPCZKV-PHIMTYICSA-N 1 0 305.334 1.237 20 5 DDBDRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)C[C@H]12 ZINC000248652509 408608430 /nfs/dbraw/zinc/60/84/30/408608430.db2.gz VJVBYKSFMZGJKP-OXHMUOHRSA-N 1 0 320.305 1.312 20 5 DDBDRO Cc1ccc(NCCCNC(=O)[C@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000161542776 408615916 /nfs/dbraw/zinc/61/59/16/408615916.db2.gz BOVNPAMDFHWTGF-ZDUSSCGKSA-N 1 0 320.393 1.821 20 5 DDBDRO O=C(Cn1cc([N+](=O)[O-])cn1)NC1CC[NH+](C2CCCC2)CC1 ZINC000177448246 408620887 /nfs/dbraw/zinc/62/08/87/408620887.db2.gz VHPOUQACHIVRSX-UHFFFAOYSA-N 1 0 321.381 1.315 20 5 DDBDRO CC(C)(C)[C@@H](CO)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000265417718 408645891 /nfs/dbraw/zinc/64/58/91/408645891.db2.gz HKGVUPDIDNRROI-CYBMUJFWSA-N 1 0 309.366 1.920 20 5 DDBDRO C[NH2+]C[C@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000178968749 162705799 /nfs/dbraw/zinc/70/57/99/162705799.db2.gz HOTVRAIYKXQQBC-LLVKDONJSA-N 1 0 313.379 1.276 20 5 DDBDRO Cn1cc([N+](=O)[O-])c(C(=O)N2CC[NH+](C3CCCC3)CC2)n1 ZINC000270762558 408669230 /nfs/dbraw/zinc/66/92/30/408669230.db2.gz NAAISHZVSPBZDJ-UHFFFAOYSA-N 1 0 307.354 1.029 20 5 DDBDRO C[N@@H+]1CC[C@@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000265612250 408713919 /nfs/dbraw/zinc/71/39/19/408713919.db2.gz XFWGKTAISRHZCV-JTQLQIEISA-N 1 0 311.769 1.859 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000184971621 408728276 /nfs/dbraw/zinc/72/82/76/408728276.db2.gz RQRWALTXQOLHDT-HONMWMINSA-N 1 0 318.377 1.470 20 5 DDBDRO Cc1cc(C(=O)NCCC[NH+]2CCC(O)CC2)ccc1[N+](=O)[O-] ZINC000265505259 408675058 /nfs/dbraw/zinc/67/50/58/408675058.db2.gz QRUYGWYVMGOOSJ-UHFFFAOYSA-N 1 0 321.377 1.480 20 5 DDBDRO C[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000275845690 408694654 /nfs/dbraw/zinc/69/46/54/408694654.db2.gz KKNYDTCOAQUYMX-IHRRRGAJSA-N 1 0 324.377 1.570 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC(OCCC[NH3+])CC1 ZINC000178203433 408787343 /nfs/dbraw/zinc/78/73/43/408787343.db2.gz SZQWRQMLNLYQBG-UHFFFAOYSA-N 1 0 321.377 1.873 20 5 DDBDRO [NH3+][C@H]1CC[C@H]2CN(C(=O)CSc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000185153025 408772212 /nfs/dbraw/zinc/77/22/12/408772212.db2.gz JGNMCQXSXSFUFS-GDLCADMTSA-N 1 0 321.402 1.883 20 5 DDBDRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000285902564 408885878 /nfs/dbraw/zinc/88/58/78/408885878.db2.gz CYTNPKTUJGWSKR-UEKVPHQBSA-N 1 0 307.350 1.476 20 5 DDBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@](C)(C(N)=O)C1 ZINC000280876161 408851211 /nfs/dbraw/zinc/85/12/11/408851211.db2.gz ZUNTWEIMAUDJGS-BMIGLBTASA-N 1 0 320.349 1.119 20 5 DDBDRO O=[N+]([O-])c1cnc2ccccc2c1NCCN1CCOCC1 ZINC000291591477 408890768 /nfs/dbraw/zinc/89/07/68/408890768.db2.gz HOQBVXFWKITGEE-UHFFFAOYSA-N 1 0 302.334 1.887 20 5 DDBDRO C[N@@H+]1CCN(CCNC(=O)c2ccccc2[N+](=O)[O-])CC1(C)C ZINC000281825346 408935313 /nfs/dbraw/zinc/93/53/13/408935313.db2.gz RKSCWGFCPOZIRP-UHFFFAOYSA-N 1 0 320.393 1.351 20 5 DDBDRO CC[NH+](CC)[C@@H](C)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000192719584 163233385 /nfs/dbraw/zinc/23/33/85/163233385.db2.gz GEWWHVZQCMCIAP-NSHDSACASA-N 1 0 315.395 1.603 20 5 DDBDRO COc1cc(C(=O)NC[C@@H]2CCC[N@@H+]2C)c([N+](=O)[O-])cc1OC ZINC000194747260 163295455 /nfs/dbraw/zinc/29/54/55/163295455.db2.gz DXWIZJDRNLQLCR-JTQLQIEISA-N 1 0 323.349 1.436 20 5 DDBDRO CC(C)[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000291992234 408957677 /nfs/dbraw/zinc/95/76/77/408957677.db2.gz WXKLQIDYYJDNME-ZIAGYGMSSA-N 1 0 324.377 1.834 20 5 DDBDRO CCc1n[nH]c(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000277690965 408993334 /nfs/dbraw/zinc/99/33/34/408993334.db2.gz KJIPTQYKDIIJQM-GHMZBOCLSA-N 1 0 307.354 1.237 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)n1 ZINC000277721546 408999033 /nfs/dbraw/zinc/99/90/33/408999033.db2.gz JFNYJKUPLUQVRD-ONGXEEELSA-N 1 0 322.287 1.427 20 5 DDBDRO C[N@H+]1C[C@H]2CN(c3cc4c(cc3[N+](=O)[O-])CCC(=O)N4)C[C@H]2C1 ZINC000278808857 409093727 /nfs/dbraw/zinc/09/37/27/409093727.db2.gz RYVWGAANUJAYKW-TXEJJXNPSA-N 1 0 316.361 1.477 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000293503894 409126103 /nfs/dbraw/zinc/12/61/03/409126103.db2.gz SQWNLWLMQQCBOA-GWCFXTLKSA-N 1 0 323.324 1.323 20 5 DDBDRO COc1cc(OCC(=O)N2C[C@@H](C[NH3+])C[C@H]2C)ccc1[N+](=O)[O-] ZINC000261793790 163704535 /nfs/dbraw/zinc/70/45/35/163704535.db2.gz LESZDDCTYRFHMU-GHMZBOCLSA-N 1 0 323.349 1.178 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000284201005 409295378 /nfs/dbraw/zinc/29/53/78/409295378.db2.gz ZOQJEOBCJYYYOO-GFCCVEGCSA-N 1 0 319.361 1.914 20 5 DDBDRO CC[N@@H+]1CCCN(C(=O)COc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000280663287 409398230 /nfs/dbraw/zinc/39/82/30/409398230.db2.gz XJELVUZLNZKSSV-UHFFFAOYSA-N 1 0 321.377 1.836 20 5 DDBDRO CC(C)[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1COC1 ZINC000295524768 409331368 /nfs/dbraw/zinc/33/13/68/409331368.db2.gz UXHVKJXAAKGJDT-AWEZNQCLSA-N 1 0 310.350 1.444 20 5 DDBDRO NC(=O)c1ccc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000317043684 164025527 /nfs/dbraw/zinc/02/55/27/164025527.db2.gz VBVFLVVBINSNDH-NWDGAFQWSA-N 1 0 304.350 1.732 20 5 DDBDRO O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000320268975 164041227 /nfs/dbraw/zinc/04/12/27/164041227.db2.gz YDVHOENSQUWEDY-KOABKASLSA-N 1 0 301.346 1.676 20 5 DDBDRO Cc1nn(C)c(C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000408128960 164236476 /nfs/dbraw/zinc/23/64/76/164236476.db2.gz MLEWTVLSYRLYIP-ONGXEEELSA-N 1 0 309.370 1.049 20 5 DDBDRO C[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C1(CO)CC1 ZINC000285555271 409486350 /nfs/dbraw/zinc/48/63/50/409486350.db2.gz RDZDRCUEJWZSDB-UHFFFAOYSA-N 1 0 311.313 1.519 20 5 DDBDRO CO[C@@]1(C)C[C@@H]([NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1(C)C ZINC000296290063 409493129 /nfs/dbraw/zinc/49/31/29/409493129.db2.gz PBBLIZJFFVNODM-CJNGLKHVSA-N 1 0 321.377 1.987 20 5 DDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000353914488 409558383 /nfs/dbraw/zinc/55/83/83/409558383.db2.gz RSCQQWDXOVVLKO-HNNXBMFYSA-N 1 0 322.365 1.345 20 5 DDBDRO C[C@H](CO)[N@@H+]1CCCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000345043249 409602023 /nfs/dbraw/zinc/60/20/23/409602023.db2.gz GIYCFNXHGKJRRY-SNVBAGLBSA-N 1 0 314.773 1.536 20 5 DDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@@]2(O)CCOC2)n1 ZINC000331571658 409649539 /nfs/dbraw/zinc/64/95/39/409649539.db2.gz IUVNRDKIJREAQK-SCRDCRAPSA-N 1 0 310.354 1.016 20 5 DDBDRO COc1c(C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000331591936 409669998 /nfs/dbraw/zinc/66/99/98/409669998.db2.gz XZBUEQYHXSLZJN-WDEREUQCSA-N 1 0 319.361 1.958 20 5 DDBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2[nH]nc(C)c2[N+](=O)[O-])C[C@H]1C ZINC000354406687 409831944 /nfs/dbraw/zinc/83/19/44/409831944.db2.gz VZSMNDUYQDIFAZ-KOLCDFICSA-N 1 0 309.370 1.571 20 5 DDBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])n2C)C[C@@H]1C ZINC000354439066 409855164 /nfs/dbraw/zinc/85/51/64/409855164.db2.gz UXKSYRABUQQWQD-RYUDHWBXSA-N 1 0 308.382 1.878 20 5 DDBDRO O=C(CCN1CC[C@H]2C[NH2+]C[C@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000357077263 409847051 /nfs/dbraw/zinc/84/70/51/409847051.db2.gz AKNZDINNJOZDCO-STQMWFEESA-N 1 0 318.377 1.465 20 5 DDBDRO CCc1n[nH]c(C(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000346144006 409817252 /nfs/dbraw/zinc/81/72/52/409817252.db2.gz UCIWFUGLJSCOKH-MNOVXSKESA-N 1 0 323.397 1.873 20 5 DDBDRO C[C@@H](C[NH+](C)C)NC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000349617355 409886277 /nfs/dbraw/zinc/88/62/77/409886277.db2.gz PBGUJTLPGKFMSM-NSHDSACASA-N 1 0 309.370 1.256 20 5 DDBDRO C[C@H]1COCCN1CC[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000338379988 409949475 /nfs/dbraw/zinc/94/94/75/409949475.db2.gz QUMJPYBBQCMTDQ-AWEZNQCLSA-N 1 0 307.394 1.790 20 5 DDBDRO C[C@@H](CO)[N@@H+]1CCCN(Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000346689214 410087000 /nfs/dbraw/zinc/08/70/00/410087000.db2.gz PRGSEHPLZGKLQR-LBPRGKRZSA-N 1 0 311.357 1.622 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H](CO)C1 ZINC000298085337 410105524 /nfs/dbraw/zinc/10/55/24/410105524.db2.gz HDSOPHLPDZHQMR-ZDUSSCGKSA-N 1 0 321.377 1.936 20 5 DDBDRO C[N@@H+]1CCCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000298089937 410108132 /nfs/dbraw/zinc/10/81/32/410108132.db2.gz RJBJEIOWGIQLIK-UHFFFAOYSA-N 1 0 318.377 1.121 20 5 DDBDRO C[C@@H]([NH2+]CCNC(=O)c1cnccn1)c1ccc([N+](=O)[O-])cc1 ZINC000346802126 410160933 /nfs/dbraw/zinc/16/09/33/410160933.db2.gz UFMIYLYDYOULHH-LLVKDONJSA-N 1 0 315.333 1.465 20 5 DDBDRO C[NH+](C)CC1(NC(=O)COc2cccc([N+](=O)[O-])c2)CCC1 ZINC000339409604 410166948 /nfs/dbraw/zinc/16/69/48/410166948.db2.gz XOUOMXGCTUNWDI-UHFFFAOYSA-N 1 0 307.350 1.574 20 5 DDBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2c([N+](=O)[O-])c(C)nn2C)C1 ZINC000332693280 410218906 /nfs/dbraw/zinc/21/89/06/410218906.db2.gz KTXXPPULRSOSED-LLVKDONJSA-N 1 0 309.370 1.051 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@H]([C@H](C)[NH3+])C1 ZINC000351848701 410285541 /nfs/dbraw/zinc/28/55/41/410285541.db2.gz DVMIFHOKVMUKBL-QWRGUYRKSA-N 1 0 322.365 1.211 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@@H](C)[NH+](C)[C@H](C)C1 ZINC000339624358 410337739 /nfs/dbraw/zinc/33/77/39/410337739.db2.gz ZRQMWHDQKVXXOJ-CHWSQXEVSA-N 1 0 320.393 1.866 20 5 DDBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@H]1COCCO1)C1CC1 ZINC000358213348 410403444 /nfs/dbraw/zinc/40/34/44/410403444.db2.gz BQLIWKZNAUQYET-GJZGRUSLSA-N 1 0 306.362 1.921 20 5 DDBDRO C[C@H]1[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2F)CCC[N@@H+]1C ZINC000343437277 410452029 /nfs/dbraw/zinc/45/20/29/410452029.db2.gz KYKOCKJMZVDLRB-IINYFYTJSA-N 1 0 309.341 1.875 20 5 DDBDRO C[C@H]1[C@@H](NC(=O)COc2cccc([N+](=O)[O-])c2)CCC[N@@H+]1C ZINC000343441162 410455050 /nfs/dbraw/zinc/45/50/50/410455050.db2.gz BXNVMZSQHMQHPT-FZMZJTMJSA-N 1 0 307.350 1.573 20 5 DDBDRO CCC[N@@H+]1CC[C@@H](CNc2ncc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000299082752 410511598 /nfs/dbraw/zinc/51/15/98/410511598.db2.gz SJGDPFMKMXLCLH-JTQLQIEISA-N 1 0 307.354 1.233 20 5 DDBDRO C[C@H]1C[C@H](C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CC[NH2+]1 ZINC000358697944 410524079 /nfs/dbraw/zinc/52/40/79/410524079.db2.gz UPEFTYQBTHBNBI-WCQYABFASA-N 1 0 303.362 1.868 20 5 DDBDRO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000343646914 410592927 /nfs/dbraw/zinc/59/29/27/410592927.db2.gz SNRFNDRCCQHLST-OAHLLOKOSA-N 1 0 307.325 1.950 20 5 DDBDRO C[C@@H]1CC[N@H+](C)CCN1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000355500522 410550168 /nfs/dbraw/zinc/55/01/68/410550168.db2.gz DRVDVUKZJLVDLR-CYBMUJFWSA-N 1 0 320.393 1.873 20 5 DDBDRO CC[N@@H+]1CCC[C@H](CNc2ncc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000301096449 410654502 /nfs/dbraw/zinc/65/45/02/410654502.db2.gz GSZWSEQOBOPSSZ-SNVBAGLBSA-N 1 0 307.354 1.233 20 5 DDBDRO CCN1CC[NH+](C[C@@H](C)CNc2c([N+](=O)[O-])c(C)nn2C)CC1 ZINC000301296405 410692281 /nfs/dbraw/zinc/69/22/81/410692281.db2.gz SHNKJUOUYMRSQE-LBPRGKRZSA-N 1 0 324.429 1.322 20 5 DDBDRO Cc1nn(CCC(=O)N2CCC([NH+](C)C)CC2)c(C)c1[N+](=O)[O-] ZINC000330424972 410682370 /nfs/dbraw/zinc/68/23/70/410682370.db2.gz FYOOYWXXHLSZAI-UHFFFAOYSA-N 1 0 323.397 1.351 20 5 DDBDRO CC(C)(C)[C@@H](O)C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000343884839 410777145 /nfs/dbraw/zinc/77/71/45/410777145.db2.gz VRKWPMQYDWUDTF-AAEUAGOBSA-N 1 0 308.382 1.883 20 5 DDBDRO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])n1C)[NH+]1CCC(C)CC1 ZINC000330583220 410797759 /nfs/dbraw/zinc/79/77/59/410797759.db2.gz VDZDXTYUCMZNPN-LBPRGKRZSA-N 1 0 308.382 1.784 20 5 DDBDRO CCc1nn(C)c(N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)c1[N+](=O)[O-] ZINC000301917196 410829920 /nfs/dbraw/zinc/82/99/20/410829920.db2.gz ANWRBMXTBASLGS-OBJOEFQTSA-N 1 0 319.409 1.811 20 5 DDBDRO C[C@H]1CCC[N@H+](CCNc2ccc3ncc([N+](=O)[O-])n3n2)C1 ZINC000301915425 410830975 /nfs/dbraw/zinc/83/09/75/410830975.db2.gz ISDNIPOFSDPNDM-NSHDSACASA-N 1 0 304.354 1.781 20 5 DDBDRO COc1cc(N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)c(F)cc1[N+](=O)[O-] ZINC000301943196 410832697 /nfs/dbraw/zinc/83/26/97/410832697.db2.gz XYMNQXUWVUXUFE-JSGCOSHPSA-N 1 0 311.313 1.262 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](CO)C(C)C ZINC000359826895 410901699 /nfs/dbraw/zinc/90/16/99/410901699.db2.gz AAPDNUOSXXJLMV-AWEZNQCLSA-N 1 0 309.366 1.838 20 5 DDBDRO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000348522943 410998983 /nfs/dbraw/zinc/99/89/83/410998983.db2.gz AQSBBLMXRRVNSX-RYUDHWBXSA-N 1 0 307.350 1.559 20 5 DDBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)CC1(O)CCC1 ZINC000353484550 411021011 /nfs/dbraw/zinc/02/10/11/411021011.db2.gz QPVRBGQVLLGUAT-NSHDSACASA-N 1 0 307.350 1.769 20 5 DDBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@@H]1CCCS1(=O)=O ZINC000345032255 306736763 /nfs/dbraw/zinc/73/67/63/306736763.db2.gz WENVQKWWZHNOCT-RJNRQISESA-N 1 0 310.375 1.775 20 5 DDBDRO CN1CCC([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000580114546 422891422 /nfs/dbraw/zinc/89/14/22/422891422.db2.gz ZUGSGVGIXRIJQM-AWEZNQCLSA-N 1 0 309.366 1.018 20 5 DDBDRO [NH3+]C[C@H]1CCCCN1C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000131048517 196135867 /nfs/dbraw/zinc/13/58/67/196135867.db2.gz IMTCMFCLLAREIA-SNVBAGLBSA-N 1 0 311.313 1.453 20 5 DDBDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(c2ncc([N+](=O)[O-])c(N)n2)C[C@@H](C)C1 ZINC000488756841 416560604 /nfs/dbraw/zinc/56/06/04/416560604.db2.gz WXUHWAPJSSCJHP-DCAQKATOSA-N 1 0 306.370 1.134 20 5 DDBDRO [NH3+]CCCNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000415706429 224705159 /nfs/dbraw/zinc/70/51/59/224705159.db2.gz UYXSEWBCZKKLAW-UHFFFAOYSA-N 1 0 317.143 1.828 20 5 DDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000417773500 225435481 /nfs/dbraw/zinc/43/54/81/225435481.db2.gz XHMJIPHNVRETOQ-UONOGXRCSA-N 1 0 318.377 1.388 20 5 DDBDRO Cn1ccnc1[C@H](N[C@H]1CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000423178629 227390503 /nfs/dbraw/zinc/39/05/03/227390503.db2.gz CGLWDTBKRYKZDT-DZGCQCFKSA-N 1 0 315.377 1.759 20 5 DDBDRO [NH3+]C[C@@H]1CCCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000297359086 227061954 /nfs/dbraw/zinc/06/19/54/227061954.db2.gz KKNYGCOBYJDNBP-JTQLQIEISA-N 1 0 302.334 1.887 20 5 DDBDRO O=[N+]([O-])c1cnn([C@H]2CCC[N@H+](CCCn3ccnc3)C2)c1 ZINC000373581164 418442437 /nfs/dbraw/zinc/44/24/37/418442437.db2.gz DLFGYDZYNYUHGP-ZDUSSCGKSA-N 1 0 304.354 1.715 20 5 DDBDRO CCn1c(C)nc([N+](=O)[O-])c1NC1CCN(CC[NH+](C)C)CC1 ZINC000360890904 418541247 /nfs/dbraw/zinc/54/12/47/418541247.db2.gz CTNLHQPBCKDELI-UHFFFAOYSA-N 1 0 324.429 1.558 20 5 DDBDRO COc1cccc(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000194462061 418544099 /nfs/dbraw/zinc/54/40/99/418544099.db2.gz GTLDMZAERZSTKV-NSHDSACASA-N 1 0 307.350 1.770 20 5 DDBDRO CN(CC(=O)NC1(C)CC[NH2+]CC1)c1ccccc1[N+](=O)[O-] ZINC000193351125 222151430 /nfs/dbraw/zinc/15/14/30/222151430.db2.gz SQOCURAKPOTDEX-UHFFFAOYSA-N 1 0 306.366 1.289 20 5 DDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000367384285 418593688 /nfs/dbraw/zinc/59/36/88/418593688.db2.gz MWSHAMGHYJBTGU-UHFFFAOYSA-N 1 0 312.329 1.817 20 5 DDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000354734302 418647395 /nfs/dbraw/zinc/64/73/95/418647395.db2.gz FDICWMMZBCXZGG-UHFFFAOYSA-N 1 0 324.300 2.010 20 5 DDBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000361958726 418730894 /nfs/dbraw/zinc/73/08/94/418730894.db2.gz KFSNEVLCCOVBJD-GFCCVEGCSA-N 1 0 308.407 1.926 20 5 DDBDRO NC(=O)[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411153233 418874429 /nfs/dbraw/zinc/87/44/29/418874429.db2.gz IESOLRNITRKAHF-ZDUSSCGKSA-N 1 0 320.349 1.263 20 5 DDBDRO Nc1c(C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)cc(F)cc1[N+](=O)[O-] ZINC000365252308 418846095 /nfs/dbraw/zinc/84/60/95/418846095.db2.gz VTONBAKPRCVPRS-KCJUWKMLSA-N 1 0 308.313 1.140 20 5 DDBDRO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@]1(CO)CCOC1 ZINC000411511612 418910881 /nfs/dbraw/zinc/91/08/81/418910881.db2.gz ZDSQPOBWDZISAM-HNNXBMFYSA-N 1 0 323.349 1.007 20 5 DDBDRO CCc1ccc(C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)cc1[N+](=O)[O-] ZINC000373040493 418923681 /nfs/dbraw/zinc/92/36/81/418923681.db2.gz CEESTEJXZJGIRN-JSGCOSHPSA-N 1 0 303.362 1.981 20 5 DDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424083265 228225919 /nfs/dbraw/zinc/22/59/19/228225919.db2.gz WZDZXYPLWAWIRS-LBPRGKRZSA-N 1 0 316.321 1.363 20 5 DDBDRO COc1cc(C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000425049088 228355258 /nfs/dbraw/zinc/35/52/58/228355258.db2.gz DLMOYBAQPGNCMV-GXTWGEPZSA-N 1 0 319.361 1.770 20 5 DDBDRO C[C@@H](NC(=O)NCCc1cccc([N+](=O)[O-])c1)[C@H]1CCC[NH2+]C1 ZINC000417947117 419413347 /nfs/dbraw/zinc/41/33/47/419413347.db2.gz RXGQYOQUCLSUQP-OCCSQVGLSA-N 1 0 320.393 1.825 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCC[C@H]2CCO)c1 ZINC000426254375 419422624 /nfs/dbraw/zinc/42/26/24/419422624.db2.gz DZLRASKILOYYJZ-GXTWGEPZSA-N 1 0 310.350 1.181 20 5 DDBDRO CCOc1cc(C[N@@H+]2CC[C@H](C(=O)N(C)C)C2)ccc1[N+](=O)[O-] ZINC000411951941 419519860 /nfs/dbraw/zinc/51/98/60/419519860.db2.gz PEZIPJGGACUOIU-ZDUSSCGKSA-N 1 0 321.377 1.904 20 5 DDBDRO C[NH2+]C[C@@H](C)CNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000418086338 419520038 /nfs/dbraw/zinc/52/00/38/419520038.db2.gz YLAOHYIDDCMCBG-SECBINFHSA-N 1 0 320.353 1.126 20 5 DDBDRO Cc1c(CNC(=O)N[C@H]2CC[NH2+]C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000418084016 419520926 /nfs/dbraw/zinc/52/09/26/419520926.db2.gz UIJGBFFTMCKOAJ-GWCFXTLKSA-N 1 0 306.366 1.700 20 5 DDBDRO CON1CCC([NH2+][C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000421205832 419521578 /nfs/dbraw/zinc/52/15/78/419521578.db2.gz HNGXLCYFCBPQHC-NSHDSACASA-N 1 0 322.365 1.537 20 5 DDBDRO O=[N+]([O-])c1cccc(OCC[NH2+][C@H](CO)[C@H]2CCCOC2)c1 ZINC000411984343 419544745 /nfs/dbraw/zinc/54/47/45/419544745.db2.gz CPXPDSGMFVGGQS-SWLSCSKDSA-N 1 0 310.350 1.351 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1CN1C[C@@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000418122951 419554547 /nfs/dbraw/zinc/55/45/47/419554547.db2.gz YGKIXUWHGVKXNG-KGLIPLIRSA-N 1 0 307.394 1.790 20 5 DDBDRO CN(C)C(=O)[C@@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000411940633 419507872 /nfs/dbraw/zinc/50/78/72/419507872.db2.gz KNPVQLVNMGVLMH-SNVBAGLBSA-N 1 0 318.333 1.646 20 5 DDBDRO C[C@@H]1C[C@H](O)C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000412040782 419581933 /nfs/dbraw/zinc/58/19/33/419581933.db2.gz KOTBOXWRTBVDEL-XBFCOCLRSA-N 1 0 310.350 1.037 20 5 DDBDRO C[C@H](NC(=O)N[C@@H](CC[NH3+])C(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000418230500 419631108 /nfs/dbraw/zinc/63/11/08/419631108.db2.gz JKCRCYODKUXECP-KWQFWETISA-N 1 0 316.308 1.938 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000421793500 419733958 /nfs/dbraw/zinc/73/39/58/419733958.db2.gz WKLKZYLHQAUIIG-OAHLLOKOSA-N 1 0 309.366 1.254 20 5 DDBDRO C[NH2+]C[C@@H](C)CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000418360035 419740419 /nfs/dbraw/zinc/74/04/19/419740419.db2.gz JSSXXAKDQFIHDT-LLVKDONJSA-N 1 0 306.366 1.518 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000429181753 228795116 /nfs/dbraw/zinc/79/51/16/228795116.db2.gz BDRJLVNPKOMQNT-ZYHUDNBSSA-N 1 0 309.370 1.076 20 5 DDBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NCC1=CC[NH2+]CC1 ZINC000418544285 419867172 /nfs/dbraw/zinc/86/71/72/419867172.db2.gz UMLOJYABNVYHFD-UHFFFAOYSA-N 1 0 318.377 1.698 20 5 DDBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CNCCN1C ZINC000414981199 419903065 /nfs/dbraw/zinc/90/30/65/419903065.db2.gz XKFSDMNBLANJGQ-DZGCQCFKSA-N 1 0 306.410 1.409 20 5 DDBDRO COc1ccc(CN[C@@H]2C[NH2+]CCC2(F)F)cc1[N+](=O)[O-] ZINC000414997538 419908259 /nfs/dbraw/zinc/90/82/59/419908259.db2.gz HUXJUJNIXWOHEA-GFCCVEGCSA-N 1 0 301.293 1.690 20 5 DDBDRO Cn1ccnc1[C@@H](NC[C@H]1CCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000423233876 419992650 /nfs/dbraw/zinc/99/26/50/419992650.db2.gz KQIWGKWEBSIXPO-HIFRSBDPSA-N 1 0 315.377 1.759 20 5 DDBDRO C[C@H]([NH3+])[C@H](C)NC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000418713390 419945813 /nfs/dbraw/zinc/94/58/13/419945813.db2.gz XWZGUQWVMDQKJL-RYUDHWBXSA-N 1 0 321.381 1.162 20 5 DDBDRO CC(C)(NC(=O)NC[C@H]1C[NH2+]CCO1)c1ccc([N+](=O)[O-])cc1 ZINC000418767605 419974193 /nfs/dbraw/zinc/97/41/93/419974193.db2.gz OEHPCHYITYHEQL-CYBMUJFWSA-N 1 0 322.365 1.118 20 5 DDBDRO COc1ccc(NC(=O)N(C)C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000415441286 420067710 /nfs/dbraw/zinc/06/77/10/420067710.db2.gz PACQZQQVZQHWFK-UHFFFAOYSA-N 1 0 308.338 1.819 20 5 DDBDRO Cc1c(NC(=O)C(=O)N[C@H](C[NH3+])CC(C)C)cccc1[N+](=O)[O-] ZINC000415428093 420061019 /nfs/dbraw/zinc/06/10/19/420061019.db2.gz OHEXYTZXHCWFQC-NSHDSACASA-N 1 0 322.365 1.331 20 5 DDBDRO COc1ccc(NC(=O)N2CC[C@](C)(C[NH3+])C2)cc1[N+](=O)[O-] ZINC000415430874 420062643 /nfs/dbraw/zinc/06/26/43/420062643.db2.gz CYAFWXUOKBUGLZ-CQSZACIVSA-N 1 0 308.338 1.806 20 5 DDBDRO CCCC[C@H](C[NH3+])NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000415506310 420094006 /nfs/dbraw/zinc/09/40/06/420094006.db2.gz ZTRXVCFGNKYZDS-LLVKDONJSA-N 1 0 322.365 1.475 20 5 DDBDRO Cc1c(NC(=O)C(=O)N2CC[C@H]([C@H](C)[NH3+])C2)cccc1[N+](=O)[O-] ZINC000415582530 420117726 /nfs/dbraw/zinc/11/77/26/420117726.db2.gz UNHUAYQTDAMERJ-QWRGUYRKSA-N 1 0 320.349 1.037 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000423669946 420121466 /nfs/dbraw/zinc/12/14/66/420121466.db2.gz AHIBXHJQHOUNID-JTQLQIEISA-N 1 0 301.293 1.924 20 5 DDBDRO CCOc1ccc(NC(=O)CN2CCC[C@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000430548020 420134054 /nfs/dbraw/zinc/13/40/54/420134054.db2.gz VSMNGIFUAQYNNR-NSHDSACASA-N 1 0 322.365 1.355 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NC1(C[NH3+])CCCC1 ZINC000415492469 420088839 /nfs/dbraw/zinc/08/88/39/420088839.db2.gz CAWPQUAVPHAJAH-UHFFFAOYSA-N 1 0 308.338 1.996 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000415496881 420091037 /nfs/dbraw/zinc/09/10/37/420091037.db2.gz HGHNPFDBTJKMEF-ZJUUUORDSA-N 1 0 308.338 1.804 20 5 DDBDRO CCC([NH3+])(CC)CNC(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000415499765 420091338 /nfs/dbraw/zinc/09/13/38/420091338.db2.gz VHGWWONTOIGBLE-UHFFFAOYSA-N 1 0 322.365 1.475 20 5 DDBDRO C[C@@H]([NH3+])C1CCN([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000430921131 420206473 /nfs/dbraw/zinc/20/64/73/420206473.db2.gz XDKWZGBCBCWHOF-NEPJUHHUSA-N 1 0 320.393 1.981 20 5 DDBDRO [NH3+]C1(C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)CCCCC1 ZINC000423827417 420212924 /nfs/dbraw/zinc/21/29/24/420212924.db2.gz NUEGBANODZCTFO-UHFFFAOYSA-N 1 0 321.381 1.616 20 5 DDBDRO C[NH2+]C[C@H](C)CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000420191190 420146789 /nfs/dbraw/zinc/14/67/89/420146789.db2.gz HJSRSVPWNQISFH-ZETCQYMHSA-N 1 0 307.397 1.327 20 5 DDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC[C@@H](C[NH3+])C1 ZINC000430633300 420165224 /nfs/dbraw/zinc/16/52/24/420165224.db2.gz ZRJDFWKFPNSUCL-NEPJUHHUSA-N 1 0 306.366 1.593 20 5 DDBDRO COc1ccc(OCCN2CCC[C@@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000430660343 420174808 /nfs/dbraw/zinc/17/48/08/420174808.db2.gz CUXPHEDPWAOQKH-LBPRGKRZSA-N 1 0 309.366 1.653 20 5 DDBDRO CC(C)(C)[C@@H](CN)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000420360304 420234861 /nfs/dbraw/zinc/23/48/61/420234861.db2.gz LACLCCRHBGYHNP-CYBMUJFWSA-N 1 0 308.382 1.886 20 5 DDBDRO C[N@@H+]1CC[C@](O)(CN[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000433228307 420250606 /nfs/dbraw/zinc/25/06/06/420250606.db2.gz OJZOZNGWYMZMKJ-RDJZCZTQSA-N 1 0 319.405 1.973 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[NH2+][C@H](C)C1 ZINC000420335650 420219178 /nfs/dbraw/zinc/21/91/78/420219178.db2.gz KSRAWACZSXAEOP-LLVKDONJSA-N 1 0 322.365 1.226 20 5 DDBDRO [NH3+][C@@H]1CCC[C@@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000420470846 420307301 /nfs/dbraw/zinc/30/73/01/420307301.db2.gz QUBUKOUJMPVBEC-RKDXNWHRSA-N 1 0 319.408 1.452 20 5 DDBDRO C[C@@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)[C@H](C)CN1CCO ZINC000416288731 420309164 /nfs/dbraw/zinc/30/91/64/420309164.db2.gz DOQBJUWSBCELLG-NXEZZACHSA-N 1 0 313.379 1.183 20 5 DDBDRO CN(CC[NH3+])C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000424001522 420301228 /nfs/dbraw/zinc/30/12/28/420301228.db2.gz NJVUPNFSRIVANU-UHFFFAOYSA-N 1 0 303.771 1.757 20 5 DDBDRO Cc1ccc(F)c(C[N@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000444745340 230129706 /nfs/dbraw/zinc/12/97/06/230129706.db2.gz QRQUEXMIRRWIMM-AWEZNQCLSA-N 1 0 322.340 1.732 20 5 DDBDRO CC1(C)CCC[N@@H+]1CCNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000450953315 420569314 /nfs/dbraw/zinc/56/93/14/420569314.db2.gz XWHBCPSEZLDHNX-UHFFFAOYSA-N 1 0 307.354 1.375 20 5 DDBDRO C[C@@H](CNC(=O)N[C@@H]1C[NH2+]CC1(C)C)c1ccccc1[N+](=O)[O-] ZINC001120577587 782033935 /nfs/dbraw/zinc/03/39/35/782033935.db2.gz DWUCNNJPSZHMKX-SMDDNHRTSA-N 1 0 320.393 1.996 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2C[C@H](C3CC3)[C@H]2C2CC2)c1 ZINC000453046878 420707280 /nfs/dbraw/zinc/70/72/80/420707280.db2.gz YRHOZWOCLGIWTF-RBSFLKMASA-N 1 0 306.366 1.273 20 5 DDBDRO Cn1nccc1[C@@H](CO)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000459713103 420855258 /nfs/dbraw/zinc/85/52/58/420855258.db2.gz NLEDYXBFPAXEMA-RYWCDNDXSA-N 1 0 302.334 1.665 20 5 DDBDRO C[N@H+]1C[C@H]2CN(C(=O)/C=C\c3ccccc3[N+](=O)[O-])C[C@H]2C1 ZINC000493867056 420961319 /nfs/dbraw/zinc/96/13/19/420961319.db2.gz DXDULVNLEWDGIB-JMCXLMSJSA-N 1 0 301.346 1.628 20 5 DDBDRO CNc1nc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000455613540 421044077 /nfs/dbraw/zinc/04/40/77/421044077.db2.gz NMCYNRGQIZQYGM-LLVKDONJSA-N 1 0 319.365 1.340 20 5 DDBDRO O=C(CNc1ccccc1[N+](=O)[O-])N[C@@H]1C[NH2+]CCC1(F)F ZINC000449660860 421050136 /nfs/dbraw/zinc/05/01/36/421050136.db2.gz HGHJWQYOMSDYFW-LLVKDONJSA-N 1 0 314.292 1.120 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)Nc3cc(F)cc([N+](=O)[O-])c3)C[C@@H]21 ZINC000455329565 420997257 /nfs/dbraw/zinc/99/72/57/420997257.db2.gz JOEUUJHOAXZLIL-RNCFNFMXSA-N 1 0 308.313 1.902 20 5 DDBDRO CC[NH+]1CCC(N(C)C(=O)c2ccc([N+](=O)[O-])c(NC)n2)CC1 ZINC000455367271 421003042 /nfs/dbraw/zinc/00/30/42/421003042.db2.gz ONWKYQPJVHNVSU-UHFFFAOYSA-N 1 0 321.381 1.588 20 5 DDBDRO COc1ccc(C[NH2+]C[C@@H]2CCCN2CCCO)cc1[N+](=O)[O-] ZINC000449390791 421005029 /nfs/dbraw/zinc/00/50/29/421005029.db2.gz WVPKZKXSNPGFHO-AWEZNQCLSA-N 1 0 323.393 1.540 20 5 DDBDRO CC[C@H]1CN(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000487200536 421010517 /nfs/dbraw/zinc/01/05/17/421010517.db2.gz MZXZXNQOUDFUSH-AWEZNQCLSA-N 1 0 311.357 1.934 20 5 DDBDRO CN(C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)C1CC([NH3+])C1 ZINC000449634568 421041602 /nfs/dbraw/zinc/04/16/02/421041602.db2.gz WEEDEYNDWPPDOE-UHFFFAOYSA-N 1 0 304.350 1.731 20 5 DDBDRO CC[C@H]([NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)C(=O)NC ZINC000449770620 421080718 /nfs/dbraw/zinc/08/07/18/421080718.db2.gz GAMOIEILECLMBB-MFKMUULPSA-N 1 0 322.365 1.426 20 5 DDBDRO Cc1nc(NC(C)(C)CC[NH+]2CCN(C)CC2)ncc1[N+](=O)[O-] ZINC000450460177 421200416 /nfs/dbraw/zinc/20/04/16/421200416.db2.gz NACCUUHTEAGUHH-UHFFFAOYSA-N 1 0 322.413 1.521 20 5 DDBDRO COc1cc(CNCC[N@@H+]2CC[C@@H](C)C2)c([N+](=O)[O-])cc1O ZINC000525800679 421302432 /nfs/dbraw/zinc/30/24/32/421302432.db2.gz HDHGBZVIEKDJTN-LLVKDONJSA-N 1 0 309.366 1.740 20 5 DDBDRO C[C@H](C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000562302205 421350457 /nfs/dbraw/zinc/35/04/57/421350457.db2.gz VLQWCSQZLHUGHS-FPMFFAJLSA-N 1 0 303.362 1.718 20 5 DDBDRO C=Cc1ccc(CC[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000563881978 421551049 /nfs/dbraw/zinc/55/10/49/421551049.db2.gz OLCHOCUSFSOWCW-INIZCTEOSA-N 1 0 316.361 1.628 20 5 DDBDRO CC(C)([NH3+])c1noc(Cn2c3cc([N+](=O)[O-])ccc3oc2=O)n1 ZINC000517028771 421590013 /nfs/dbraw/zinc/59/00/13/421590013.db2.gz NVMXCHMKZYJQOU-UHFFFAOYSA-N 1 0 319.277 1.128 20 5 DDBDRO C[C@H]1C[NH+](CCCNC(=O)c2cc([N+](=O)[O-])cn2C)C[C@H](C)O1 ZINC000516387134 421544381 /nfs/dbraw/zinc/54/43/81/421544381.db2.gz DEWCGZADPYNNRY-RYUDHWBXSA-N 1 0 324.381 1.162 20 5 DDBDRO CNc1nccc(C(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000566467334 421606070 /nfs/dbraw/zinc/60/60/70/421606070.db2.gz VVEUIIFKMWEJEA-LLVKDONJSA-N 1 0 321.381 1.586 20 5 DDBDRO CNc1ccc(C(=O)NCC2=CC[N@H+](C)CC2)cc1[N+](=O)[O-] ZINC000537361681 421727763 /nfs/dbraw/zinc/72/77/63/421727763.db2.gz CJSQRQPBDGBKLJ-UHFFFAOYSA-N 1 0 304.350 1.628 20 5 DDBDRO CC[NH+](CC)CC[C@H](CO)NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000538820217 421743645 /nfs/dbraw/zinc/74/36/45/421743645.db2.gz ARYJKQASVFYLOR-CYBMUJFWSA-N 1 0 323.393 1.726 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H](O)CCOC(C)C ZINC000571874671 421749308 /nfs/dbraw/zinc/74/93/08/421749308.db2.gz CIOPYDWNAXVKNJ-CQSZACIVSA-N 1 0 312.366 1.869 20 5 DDBDRO CC[NH+](CC)CC[C@H](CO)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000557035874 421757783 /nfs/dbraw/zinc/75/77/83/421757783.db2.gz RFYBAJFGDWLBCV-GFCCVEGCSA-N 1 0 309.366 1.417 20 5 DDBDRO C[C@H]1CN(C(=O)c2c[nH]nc2[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000557071812 421759132 /nfs/dbraw/zinc/75/91/32/421759132.db2.gz QIGIMNNMWVROEC-SNVBAGLBSA-N 1 0 307.354 1.264 20 5 DDBDRO C[C@H](O)[C@H]1CCC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000543141265 421833548 /nfs/dbraw/zinc/83/35/48/421833548.db2.gz USEHCVPIPDLEBB-MELADBBJSA-N 1 0 324.377 1.427 20 5 DDBDRO CC(C)[NH+]1CCC(N(C)C(=O)c2ccnc(N)c2[N+](=O)[O-])CC1 ZINC000573017459 421900101 /nfs/dbraw/zinc/90/01/01/421900101.db2.gz GEZSOWHNDVKJEG-UHFFFAOYSA-N 1 0 321.381 1.517 20 5 DDBDRO Cc1cc(S(=O)(=O)N(C)[C@@H](C)C[NH3+])c(C)cc1[N+](=O)[O-] ZINC000580903481 421862720 /nfs/dbraw/zinc/86/27/20/421862720.db2.gz UYEZXESZTZAGLO-JTQLQIEISA-N 1 0 301.368 1.179 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H]1C[C@@H](O)C1(C)C ZINC000581202014 421925009 /nfs/dbraw/zinc/92/50/09/421925009.db2.gz QGMCPNLCVCFLAX-ZIAGYGMSSA-N 1 0 321.377 1.981 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CCc2cccnc2)c1 ZINC000574547963 422132864 /nfs/dbraw/zinc/13/28/64/422132864.db2.gz VZJSLCBBZZWPSD-OAHLLOKOSA-N 1 0 317.345 1.562 20 5 DDBDRO COc1ccc(CC(=O)N[C@@H](C[NH3+])CC(C)C)cc1[N+](=O)[O-] ZINC000584345760 422297307 /nfs/dbraw/zinc/29/73/07/422297307.db2.gz YKXCPPKMJZBIGI-GFCCVEGCSA-N 1 0 309.366 1.636 20 5 DDBDRO CNc1nccc(C(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)c1[N+](=O)[O-] ZINC000594420963 422347458 /nfs/dbraw/zinc/34/74/58/422347458.db2.gz PHURCENVAMTLDA-LLVKDONJSA-N 1 0 321.381 1.634 20 5 DDBDRO Cc1ccc(NCCCNC(=O)[C@H]2C[C@@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000575748242 422320568 /nfs/dbraw/zinc/32/05/68/422320568.db2.gz CNSQQGYAFZGSGG-TXEJJXNPSA-N 1 0 306.366 1.559 20 5 DDBDRO O=[N+]([O-])c1ccc2c(ccnc2NCC[N@H+]2CC[C@@H](O)C2)c1 ZINC000599175676 422404355 /nfs/dbraw/zinc/40/43/55/422404355.db2.gz HNEOJGJYVNLVJP-CYBMUJFWSA-N 1 0 302.334 1.622 20 5 DDBDRO O=C(N[C@@H]1CCC[NH2+]C1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000578490131 422580388 /nfs/dbraw/zinc/58/03/88/422580388.db2.gz MCDDRHKNXGDHPK-GFCCVEGCSA-N 1 0 304.350 1.415 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000579233208 422729838 /nfs/dbraw/zinc/72/98/38/422729838.db2.gz BOKYALKPWLWVPO-RYUDHWBXSA-N 1 0 306.366 1.395 20 5 DDBDRO CNC(=O)[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C)C(C)C ZINC000183659158 263382173 /nfs/dbraw/zinc/38/21/73/263382173.db2.gz CFQUPYVOVUGVNC-AWEZNQCLSA-N 1 0 322.365 1.202 20 5 DDBDRO [NH3+]C[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000237905090 263591119 /nfs/dbraw/zinc/59/11/19/263591119.db2.gz DLPLUXDXTNCXMI-IUCAKERBSA-N 1 0 319.408 1.452 20 5 DDBDRO COc1cc(C(=O)N[C@@H](C)C[C@@H](C)[NH3+])c([N+](=O)[O-])cc1OC ZINC000320367961 271025173 /nfs/dbraw/zinc/02/51/73/271025173.db2.gz QFHGVXALUOHKTN-BDAKNGLRSA-N 1 0 311.338 1.468 20 5 DDBDRO CC[N@@H+]1CC[C@H](CNC(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000341717922 271185615 /nfs/dbraw/zinc/18/56/15/271185615.db2.gz YHYYTXDXFNHWEJ-CYBMUJFWSA-N 1 0 321.377 1.822 20 5 DDBDRO C[C@H]([NH2+]CCCS(=O)(=O)N(C)C)c1ccccc1[N+](=O)[O-] ZINC000342295888 271369370 /nfs/dbraw/zinc/36/93/70/271369370.db2.gz PWUYMILHAOHBPP-NSHDSACASA-N 1 0 315.395 1.527 20 5 DDBDRO O=C(CC[N@H+]1C[C@@H]2CC[C@@H](O)[C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000344044939 271938673 /nfs/dbraw/zinc/93/86/73/271938673.db2.gz XVGBWYJJIGANLG-NILFDRSVSA-N 1 0 319.361 1.626 20 5 DDBDRO C[C@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1)N1CC[NH+](C)CC1 ZINC000344563558 272060093 /nfs/dbraw/zinc/06/00/93/272060093.db2.gz XBNVWSXZTSLXOM-LLVKDONJSA-N 1 0 324.356 1.100 20 5 DDBDRO Cn1c(C(=O)N2CCC(CC[NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000345046036 272162887 /nfs/dbraw/zinc/16/28/87/272162887.db2.gz ARHQGGAUMLWJLV-UHFFFAOYSA-N 1 0 308.382 1.737 20 5 DDBDRO Nc1nc(N2CCCC[C@@H]([NH+]3CCCC3)C2)ncc1[N+](=O)[O-] ZINC000264600427 274965991 /nfs/dbraw/zinc/96/59/91/274965991.db2.gz NJQXBDNNRIRXAA-LLVKDONJSA-N 1 0 306.370 1.422 20 5 DDBDRO CCOC1CC(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)C1 ZINC000298189974 276309576 /nfs/dbraw/zinc/30/95/76/276309576.db2.gz WSRUDCAHLHIIIB-UHFFFAOYSA-N 1 0 320.393 1.927 20 5 DDBDRO CC[NH2+]CCNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000262257045 279504768 /nfs/dbraw/zinc/50/47/68/279504768.db2.gz TYIAXAGFSUGXSU-UHFFFAOYSA-N 1 0 303.322 1.120 20 5 DDBDRO Cc1cc(C)c(S(=O)(=O)N[C@H](C)[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000420447365 280396744 /nfs/dbraw/zinc/39/67/44/280396744.db2.gz VGBLYIANQHESIF-VHSXEESVSA-N 1 0 301.368 1.226 20 5 DDBDRO Cc1cc(N2CC[C@H](NC(N)=O)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000272784606 280576270 /nfs/dbraw/zinc/57/62/70/280576270.db2.gz BCAVBHMKVIWLRE-JTQLQIEISA-N 1 0 315.333 1.698 20 5 DDBDRO CN(CC[NH+]1CCCC1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000089898888 281027813 /nfs/dbraw/zinc/02/78/13/281027813.db2.gz LMYHBNIMFITUBB-UHFFFAOYSA-N 1 0 306.366 1.221 20 5 DDBDRO C[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H]1CCOC1 ZINC000162805939 298202518 /nfs/dbraw/zinc/20/25/18/298202518.db2.gz NYZFSLQGPUCOSN-RYUDHWBXSA-N 1 0 307.350 1.938 20 5 DDBDRO O=[N+]([O-])c1c[nH]c(-c2nc(CC3=[NH+][C@H]4CCCC[C@@H]4N3)no2)c1 ZINC000357932441 299023982 /nfs/dbraw/zinc/02/39/82/299023982.db2.gz IIAGGMPYICEATD-UWVGGRQHSA-N 1 0 316.321 1.828 20 5 DDBDRO C[C@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1CO ZINC000362077234 300001386 /nfs/dbraw/zinc/00/13/86/300001386.db2.gz MZTZSQYNALTNMR-RYUDHWBXSA-N 1 0 307.350 1.484 20 5 DDBDRO O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCC2(C1)CC[NH2+]CC2 ZINC000367380679 300838236 /nfs/dbraw/zinc/83/82/36/300838236.db2.gz UZVFVFVCVCDHJX-UHFFFAOYSA-N 1 0 307.325 1.950 20 5 DDBDRO COc1ccc(C(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)cc1[N+](=O)[O-] ZINC000575052957 304709093 /nfs/dbraw/zinc/70/90/93/304709093.db2.gz VDKVOPRFVTVAKU-INIZCTEOSA-N 1 0 319.361 1.819 20 5 DDBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000368378792 301014672 /nfs/dbraw/zinc/01/46/72/301014672.db2.gz RHABDHJNXVOPJI-JOYOIKCWSA-N 1 0 301.302 1.775 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCN(C3COC3)CC2)c2ccncc21 ZINC000368583626 301058089 /nfs/dbraw/zinc/05/80/89/301058089.db2.gz PBURTDZWZCHDJX-UHFFFAOYSA-N 1 0 314.345 1.664 20 5 DDBDRO Cc1c(CC(=O)N2CC[C@@H]3CC[N@@H+](C)[C@H]3C2)cccc1[N+](=O)[O-] ZINC000368587737 301058451 /nfs/dbraw/zinc/05/84/51/301058451.db2.gz DRYJEIJFSCZHAM-BBRMVZONSA-N 1 0 317.389 1.998 20 5 DDBDRO O=[N+]([O-])c1cccc(CN2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c1 ZINC000369234880 301147645 /nfs/dbraw/zinc/14/76/45/301147645.db2.gz GCSQBHFHGIFESZ-JKSUJKDBSA-N 1 0 305.378 1.626 20 5 DDBDRO CCCc1n[nH]c(C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)c1[N+](=O)[O-] ZINC000370166708 301286908 /nfs/dbraw/zinc/28/69/08/301286908.db2.gz ZQLKEXBMJOHHLD-KOLCDFICSA-N 1 0 307.354 1.094 20 5 DDBDRO CCCc1n[nH]c(C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)c1[N+](=O)[O-] ZINC000370166710 301287011 /nfs/dbraw/zinc/28/70/11/301287011.db2.gz ZQLKEXBMJOHHLD-ONGXEEELSA-N 1 0 307.354 1.094 20 5 DDBDRO [NH3+][C@@H]1CCC[C@]12CCN(C(=O)COc1cccc([N+](=O)[O-])c1)C2 ZINC000372783490 301613012 /nfs/dbraw/zinc/61/30/12/301613012.db2.gz MMLMOYILOYWMGV-GDBMZVCRSA-N 1 0 319.361 1.704 20 5 DDBDRO Cc1ccc(S(=O)(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000156207087 301685068 /nfs/dbraw/zinc/68/50/68/301685068.db2.gz MUDZYEGYQLSBTI-QWRGUYRKSA-N 1 0 313.379 1.274 20 5 DDBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC000375987111 302019241 /nfs/dbraw/zinc/01/92/41/302019241.db2.gz VUQFRSMUAVVUJE-OAHLLOKOSA-N 1 0 317.389 1.938 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CC[C@H]3OCC[C@H]3C2)c1 ZINC000376034706 302027994 /nfs/dbraw/zinc/02/79/94/302027994.db2.gz MDQJISUIVLKWBF-DUVNUKRYSA-N 1 0 322.361 1.445 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000262808411 302048393 /nfs/dbraw/zinc/04/83/93/302048393.db2.gz XNIHRYPAAWKSAO-WDEREUQCSA-N 1 0 313.379 1.180 20 5 DDBDRO CC1(C)C[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000377394527 302176696 /nfs/dbraw/zinc/17/66/96/302176696.db2.gz XPHRXGXGAFRKMW-CQSZACIVSA-N 1 0 324.377 1.835 20 5 DDBDRO C[C@@H]1C[C@@H](C)N(C(=O)Cc2cccc([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000397253176 302352941 /nfs/dbraw/zinc/35/29/41/302352941.db2.gz QBXNSBQWOKDVND-BZPMIXESSA-N 1 0 305.378 1.969 20 5 DDBDRO [NH3+][C@H]1CCCC[C@@H]1CC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000517560475 302814732 /nfs/dbraw/zinc/81/47/32/302814732.db2.gz IIDQUFDCSXIQFP-DOMZBBRYSA-N 1 0 321.377 1.997 20 5 DDBDRO C[NH+](C)Cc1cccc(CNC(=O)c2ccc([N+](=O)[O-])cn2)c1 ZINC000531624266 303252127 /nfs/dbraw/zinc/25/21/27/303252127.db2.gz HUPRFSBKHKRQGX-UHFFFAOYSA-N 1 0 314.345 1.981 20 5 DDBDRO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000548955669 303600332 /nfs/dbraw/zinc/60/03/32/303600332.db2.gz NJUBMPWSVPJFRR-AAEUAGOBSA-N 1 0 323.397 1.948 20 5 DDBDRO Cc1ccc(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)cn1 ZINC000558732637 303781731 /nfs/dbraw/zinc/78/17/31/303781731.db2.gz XGKUBYYFTJYSGE-HNNXBMFYSA-N 1 0 317.345 1.828 20 5 DDBDRO O=[N+]([O-])c1ccc(CCN2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1 ZINC000363733872 307034554 /nfs/dbraw/zinc/03/45/54/307034554.db2.gz UIEPAPWYMWVXIT-IRXDYDNUSA-N 1 0 319.405 1.668 20 5 DDBDRO O=[N+]([O-])c1ccc(CCN2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1 ZINC000363733870 307034586 /nfs/dbraw/zinc/03/45/86/307034586.db2.gz UIEPAPWYMWVXIT-DLBZAZTESA-N 1 0 319.405 1.668 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N1CCC2(C1)CC[NH2+]CC2 ZINC000367377423 307092419 /nfs/dbraw/zinc/09/24/19/307092419.db2.gz FOKSSASTICSZJA-UHFFFAOYSA-N 1 0 319.361 1.576 20 5 DDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000367643111 307100110 /nfs/dbraw/zinc/10/01/10/307100110.db2.gz LNJGRALGACNJNT-UHFFFAOYSA-N 1 0 313.317 1.470 20 5 DDBDRO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)[C@H]1C[C@H]1[N+](=O)[O-] ZINC000371659991 307155587 /nfs/dbraw/zinc/15/55/87/307155587.db2.gz KIQXWXCHRLSYGX-UQOMUDLDSA-N 1 0 318.377 1.073 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000377645099 307275435 /nfs/dbraw/zinc/27/54/35/307275435.db2.gz BNGGDEYZRINVDP-UKRRQHHQSA-N 1 0 315.377 1.863 20 5 DDBDRO O=C1NC[C@@H]2C[N@H+](CCOc3ccccc3[N+](=O)[O-])CC[C@@H]12 ZINC000377683741 307275753 /nfs/dbraw/zinc/27/57/53/307275753.db2.gz UZVIEAWEUMLMOZ-VXGBXAGGSA-N 1 0 305.334 1.042 20 5 DDBDRO Cc1noc([C@H](C)N(C)CCn2cc([N+](=O)[O-])ccc2=O)n1 ZINC000564586012 308000303 /nfs/dbraw/zinc/00/03/03/308000303.db2.gz RWDIWJGHXZLVOT-VIFPVBQESA-N 1 0 307.310 1.141 20 5 DDBDRO CNC(=O)C[C@@H](C)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000566121612 308044290 /nfs/dbraw/zinc/04/42/90/308044290.db2.gz KZNSLQHLHDBESY-SNVBAGLBSA-N 1 0 308.338 1.038 20 5 DDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000567914655 308099264 /nfs/dbraw/zinc/09/92/64/308099264.db2.gz BAWYTUNWHJWJRI-UHFFFAOYSA-N 1 0 304.350 1.393 20 5 DDBDRO CC[C@H](C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)OC ZINC000568621756 308124913 /nfs/dbraw/zinc/12/49/13/308124913.db2.gz HKTQINRGRRKETL-GFCCVEGCSA-N 1 0 316.379 1.383 20 5 DDBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000571395034 308195413 /nfs/dbraw/zinc/19/54/13/308195413.db2.gz PFABJYULIXMDAX-SMDDNHRTSA-N 1 0 317.301 1.154 20 5 DDBDRO C[C@@H](C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)Oc1ccccc1 ZINC000574033901 308259091 /nfs/dbraw/zinc/25/90/91/308259091.db2.gz UPEHZCCUJSBVAU-JSGCOSHPSA-N 1 0 320.349 1.209 20 5 DDBDRO CCc1ccc(S(=O)(=O)N[C@@H](C)[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000576755141 308337382 /nfs/dbraw/zinc/33/73/82/308337382.db2.gz QWFJSIGEYPGQSO-IUCAKERBSA-N 1 0 301.368 1.171 20 5 DDBDRO O=C1CC[C@H](C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)CCN1 ZINC000577586086 308398894 /nfs/dbraw/zinc/39/88/94/308398894.db2.gz SDOQBLYUPJMUSV-LBPRGKRZSA-N 1 0 303.362 1.869 20 5 DDBDRO CC(C)[C@](C)(C[NH3+])NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000580184056 308585527 /nfs/dbraw/zinc/58/55/27/308585527.db2.gz WOBOEQORZYJQRE-HNNXBMFYSA-N 1 0 323.349 1.469 20 5 DDBDRO Cc1ccc(C)c(S(=O)(=O)NC[C@H](C)[NH+](C)C)c1[N+](=O)[O-] ZINC000451923601 533706219 /nfs/dbraw/zinc/70/62/19/533706219.db2.gz CDQFDFLZSNTVPR-NSHDSACASA-N 1 0 315.395 1.440 20 5 DDBDRO COCC(C)(C)C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000583258765 337292383 /nfs/dbraw/zinc/29/23/83/337292383.db2.gz SQEMSYWTUVHDHN-ZDUSSCGKSA-N 1 0 312.366 1.597 20 5 DDBDRO COC(=O)c1cc(C(=O)NC[C@@H]([NH3+])C(C)C)cc([N+](=O)[O-])c1 ZINC000422850800 533735120 /nfs/dbraw/zinc/73/51/20/533735120.db2.gz OBUUOCWLGAXVBP-GFCCVEGCSA-N 1 0 309.322 1.095 20 5 DDBDRO COc1cc(CN2CC[C@@H]3[NH2+]CC[C@@H]3C2)c([N+](=O)[O-])cc1OC ZINC000427130765 533822839 /nfs/dbraw/zinc/82/28/39/533822839.db2.gz LQKMFDYALDXCRD-YPMHNXCESA-N 1 0 321.377 1.796 20 5 DDBDRO C[C@@H](CNC(=O)Cn1ccc([N+](=O)[O-])n1)C[NH+]1CCCCC1 ZINC000299311634 533909794 /nfs/dbraw/zinc/90/97/94/533909794.db2.gz VZSXGYUBONVKDS-LBPRGKRZSA-N 1 0 309.370 1.030 20 5 DDBDRO Cc1cc(NC(=O)NC[C@@H]2C[NH2+]CCCO2)ccc1[N+](=O)[O-] ZINC000415420570 533970439 /nfs/dbraw/zinc/97/04/39/533970439.db2.gz SZYSJMVRZDAQLP-LBPRGKRZSA-N 1 0 308.338 1.403 20 5 DDBDRO COc1ccc(NC(=O)N2CC[NH2+]C(C)(C)C2)cc1[N+](=O)[O-] ZINC000415454065 534110267 /nfs/dbraw/zinc/11/02/67/534110267.db2.gz ZRULACZSMMZNOL-UHFFFAOYSA-N 1 0 308.338 1.819 20 5 DDBDRO C[C@@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)C[C@@]1(C)C[NH3+] ZINC000423982376 534303354 /nfs/dbraw/zinc/30/33/54/534303354.db2.gz IUMUHSOQDNVBBS-MLGOLLRUSA-N 1 0 305.378 1.971 20 5 DDBDRO CC(C)(C[NH+]1CCCC1)NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000452098821 527080402 /nfs/dbraw/zinc/08/04/02/527080402.db2.gz UVPGRQYBBLIFOH-UHFFFAOYSA-N 1 0 320.393 1.997 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@H](Nc3ccccc3)C2)c1 ZINC000157918879 527414074 /nfs/dbraw/zinc/41/40/74/527414074.db2.gz WUFWFEURDZEYAX-AWEZNQCLSA-N 1 0 301.350 1.978 20 5 DDBDRO CC1(C)C[NH2+]CC[C@H]1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000449695909 529130129 /nfs/dbraw/zinc/13/01/29/529130129.db2.gz JKNAFDIAOYMURA-CYBMUJFWSA-N 1 0 307.350 1.478 20 5 DDBDRO C[C@H](C(=O)N1CC[N@@H+]2CC[C@H]1C2)c1ccc([N+](=O)[O-])cc1F ZINC000597709133 545667521 /nfs/dbraw/zinc/66/75/21/545667521.db2.gz VZSCXGLMWAPXLQ-JQWIXIFHSA-N 1 0 307.325 1.754 20 5 DDBDRO C[N@@H+]1CCC[C@@H](CNc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000736854499 598504032 /nfs/dbraw/zinc/50/40/32/598504032.db2.gz CYZJMABRABLCLL-JTQLQIEISA-N 1 0 317.353 1.529 20 5 DDBDRO CC(C)[N@@H+]1CC[C@H](Nc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 ZINC000820127059 606702590 /nfs/dbraw/zinc/70/25/90/606702590.db2.gz ICWANCVJOOSPGO-VIFPVBQESA-N 1 0 318.341 1.065 20 5 DDBDRO C[NH+](C)C[C@@H]1CCCCN1C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000104412219 696620068 /nfs/dbraw/zinc/62/00/68/696620068.db2.gz FAGBWLBELPVBII-LBPRGKRZSA-N 1 0 306.366 1.733 20 5 DDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC([NH2+]C(C)C)CC1 ZINC000113247341 696656366 /nfs/dbraw/zinc/65/63/66/696656366.db2.gz IHZRBPSWWLCDQM-UHFFFAOYSA-N 1 0 320.393 1.921 20 5 DDBDRO C[NH+](C)C1(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000119521774 696681806 /nfs/dbraw/zinc/68/18/06/696681806.db2.gz SDQTZHNWKJDECN-UHFFFAOYSA-N 1 0 306.366 1.607 20 5 DDBDRO Cc1c(C(=O)NCC2CC[NH2+]CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000120590374 696697967 /nfs/dbraw/zinc/69/79/67/696697967.db2.gz OVVGGBKKUGRBON-UHFFFAOYSA-N 1 0 322.321 1.541 20 5 DDBDRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2ccccc2F)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000983650528 697286335 /nfs/dbraw/zinc/28/63/35/697286335.db2.gz VQGZREOXRUNBPN-BPGGGUHBSA-N 1 0 321.352 1.475 20 5 DDBDRO CNC(=O)C1([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000776593697 698124192 /nfs/dbraw/zinc/12/41/92/698124192.db2.gz WHTGUXQRTWODCK-ZDUSSCGKSA-N 1 0 307.350 1.277 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CC[C@H](n3cncn3)C2)cc1 ZINC000776879245 698145206 /nfs/dbraw/zinc/14/52/06/698145206.db2.gz SKVWYKBZUYXXPZ-UONOGXRCSA-N 1 0 303.322 1.167 20 5 DDBDRO COCCO[C@@H]1CCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000245923257 698340949 /nfs/dbraw/zinc/34/09/49/698340949.db2.gz SYZLMZACQIPKTC-HZPDHXFCSA-N 1 0 324.377 1.756 20 5 DDBDRO CC(C)(C)[C@H](C[NH3+])NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000261596922 698428340 /nfs/dbraw/zinc/42/83/40/698428340.db2.gz XPHOQEJDNKNEBC-NSHDSACASA-N 1 0 301.368 1.247 20 5 DDBDRO C[C@H](O)C[N@@H+]1CCN(c2nc3ccccn3c2[N+](=O)[O-])[C@H](C)C1 ZINC000779708786 698455250 /nfs/dbraw/zinc/45/52/50/698455250.db2.gz XYWHYOGIKJSHCV-NEPJUHHUSA-N 1 0 319.365 1.134 20 5 DDBDRO O=C1NCC2(CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)O1 ZINC000781991318 698669696 /nfs/dbraw/zinc/66/96/96/698669696.db2.gz FGYLMRLZJLQORG-UHFFFAOYSA-N 1 0 305.334 1.712 20 5 DDBDRO O=C(CCN1CC[C@]2(CCC[NH2+]2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000420405673 699139356 /nfs/dbraw/zinc/13/93/56/699139356.db2.gz PRXIVPFBPQUYRB-MRXNPFEDSA-N 1 0 318.377 1.751 20 5 DDBDRO C[C@H]([NH2+]C[C@@H]1CCS(=O)(=O)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788689488 699334633 /nfs/dbraw/zinc/33/46/33/699334633.db2.gz HFZMKHQUPZNRJD-UWVGGRQHSA-N 1 0 313.379 1.262 20 5 DDBDRO Cc1c(C[N@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)cnn1C ZINC000790444189 699460141 /nfs/dbraw/zinc/46/01/41/699460141.db2.gz AGFYOQKJGWUBGF-HNNXBMFYSA-N 1 0 304.350 1.802 20 5 DDBDRO COC(C)(C)C[N@H+](C)Cn1nc(C)c2cc([N+](=O)[O-])cnc21 ZINC000758413034 700704511 /nfs/dbraw/zinc/70/45/11/700704511.db2.gz XMGVOVATUDLEGE-UHFFFAOYSA-N 1 0 307.354 1.962 20 5 DDBDRO C[NH+](C)C[C@](C)(O)CNc1ccc([N+](=O)[O-])cc1OC(F)F ZINC000760569246 700814556 /nfs/dbraw/zinc/81/45/56/700814556.db2.gz FFAVMWOOHIYZSH-CYBMUJFWSA-N 1 0 319.308 1.921 20 5 DDBDRO C[N@@H+]1CC[C@@](O)(CNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000762721635 700904823 /nfs/dbraw/zinc/90/48/23/700904823.db2.gz BSRKWECKIKRBHI-CYBMUJFWSA-N 1 0 313.741 1.045 20 5 DDBDRO O=[N+]([O-])c1cccc(-c2noc(C[NH2+][C@H](CCO)C3CC3)n2)c1 ZINC000763059805 700923060 /nfs/dbraw/zinc/92/30/60/700923060.db2.gz SRJHHEZQRFLQLA-CYBMUJFWSA-N 1 0 318.333 1.895 20 5 DDBDRO C[C@@H]([NH2+][C@@H](CCO)C1CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000763061505 700923207 /nfs/dbraw/zinc/92/32/07/700923207.db2.gz XZFYEILSKGSERS-YGRLFVJLSA-N 1 0 307.350 1.672 20 5 DDBDRO C[C@@H]1C[C@@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CN1C1CC1 ZINC000765847420 701028763 /nfs/dbraw/zinc/02/87/63/701028763.db2.gz CHICXOHPGOLBCJ-KFNAQCHYSA-N 1 0 305.378 1.843 20 5 DDBDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C[C@H]1C ZINC000765937657 701030445 /nfs/dbraw/zinc/03/04/45/701030445.db2.gz UQMWLHGUCHJVET-MNOVXSKESA-N 1 0 306.366 1.732 20 5 DDBDRO C[C@H](Cc1cnn(C)c1)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000768404129 701174848 /nfs/dbraw/zinc/17/48/48/701174848.db2.gz VPKVRQVTBPYCQP-IAQYHMDHSA-N 1 0 304.350 1.583 20 5 DDBDRO COC(=O)[C@@]1(C)C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000879133291 706595970 /nfs/dbraw/zinc/59/59/70/706595970.db2.gz CVQMMJVAEOFLSY-PJODQICGSA-N 1 0 322.361 1.759 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H](CCO)C1CC1 ZINC000771799199 701331219 /nfs/dbraw/zinc/33/12/19/701331219.db2.gz KPBPKOLUNPXSQC-OLZOCXBDSA-N 1 0 310.350 1.085 20 5 DDBDRO Cc1c(NC(=O)[C@@H](C)[NH2+][C@H](CO)C2CC2)cccc1[N+](=O)[O-] ZINC000771814620 701332536 /nfs/dbraw/zinc/33/25/36/701332536.db2.gz ATGBZBUVSMMCTF-ZWNOBZJWSA-N 1 0 307.350 1.591 20 5 DDBDRO Cc1nn(CN2CC[C@H]([NH+]3CCCC3)[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000808191013 701506715 /nfs/dbraw/zinc/50/67/15/701506715.db2.gz JWURBOHZEKYSPB-JSGCOSHPSA-N 1 0 307.398 1.924 20 5 DDBDRO C[C@@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000839700196 701789694 /nfs/dbraw/zinc/78/96/94/701789694.db2.gz CUEOTLHVBXFTEC-NMFUWQPSSA-N 1 0 303.362 1.431 20 5 DDBDRO C[C@H]([NH2+]CCOC[C@@H]1CCOC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815578005 701899324 /nfs/dbraw/zinc/89/93/24/701899324.db2.gz FKOFNOHCMDYKOI-NWDGAFQWSA-N 1 0 309.366 1.881 20 5 DDBDRO [NH3+]CCCCCCNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000831142915 706643487 /nfs/dbraw/zinc/64/34/87/706643487.db2.gz ABECCOUHFGRPGS-UHFFFAOYSA-N 1 0 308.382 1.956 20 5 DDBDRO COc1ccc(C(=O)N2C[C@@H]3CC[N@H+](C)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000812336879 702160440 /nfs/dbraw/zinc/16/04/40/702160440.db2.gz AJQJSNPCSLCXKY-QWHCGFSZSA-N 1 0 319.361 1.627 20 5 DDBDRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)COc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000816950097 702234483 /nfs/dbraw/zinc/23/44/83/702234483.db2.gz LVEWAWGJOSJTTG-HZMBPMFUSA-N 1 0 323.324 1.275 20 5 DDBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H]1CN(C)CCN1C ZINC000866263999 706661280 /nfs/dbraw/zinc/66/12/80/706661280.db2.gz JYHREPLNIGWUKK-DOMZBBRYSA-N 1 0 324.400 1.500 20 5 DDBDRO CN(C[C@H](O)C[NH3+])C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000841102721 702348023 /nfs/dbraw/zinc/34/80/23/702348023.db2.gz IVQXJULXTADMLL-MRVPVSSYSA-N 1 0 302.718 1.032 20 5 DDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCc3nnnn3CC2)cc1Cl ZINC000817419901 702377114 /nfs/dbraw/zinc/37/71/14/702377114.db2.gz ZGULRXPMSQFLHI-JTQLQIEISA-N 1 0 322.756 1.729 20 5 DDBDRO CC(C)(C)[C@H](C[NH3+])NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000818006412 702550797 /nfs/dbraw/zinc/55/07/97/702550797.db2.gz AXGJNQLQVQGUCY-ZDUSSCGKSA-N 1 0 319.365 1.434 20 5 DDBDRO C[C@H]([NH3+])CCNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000841854514 702587864 /nfs/dbraw/zinc/58/78/64/702587864.db2.gz BNQXUBXOLDKPMA-QMMMGPOBSA-N 1 0 300.746 1.785 20 5 DDBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC[C@@]1(O)CCOC1 ZINC000866383473 706686679 /nfs/dbraw/zinc/68/66/79/706686679.db2.gz MPCLYSBBGHUWJL-XHDPSFHLSA-N 1 0 312.341 1.796 20 5 DDBDRO CC(=O)N1CC[C@@H]([NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000866392819 706688086 /nfs/dbraw/zinc/68/80/86/706688086.db2.gz HXXWWGYBKJXMNQ-QMTHXVAHSA-N 1 0 309.341 1.875 20 5 DDBDRO C[C@@H]1CN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC000842473433 702724986 /nfs/dbraw/zinc/72/49/86/702724986.db2.gz IVUUWFZXCYRUHC-SECBINFHSA-N 1 0 312.757 1.480 20 5 DDBDRO Cc1nc([N+](=O)[O-])c(-c2noc(C3(C[NH3+])CCCC3)n2)n1C ZINC000843221267 702844555 /nfs/dbraw/zinc/84/45/55/702844555.db2.gz GORWAQABQRVMKZ-UHFFFAOYSA-N 1 0 306.326 1.457 20 5 DDBDRO O=C(CN1C[C@H]2C[NH2+]C[C@H]2C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000843377614 702870005 /nfs/dbraw/zinc/87/00/05/702870005.db2.gz FMJJGECXINBBRV-AOOOYVTPSA-N 1 0 324.768 1.338 20 5 DDBDRO COc1ccc(NC(=O)CO[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000843486492 702891126 /nfs/dbraw/zinc/89/11/26/702891126.db2.gz TWNOTNXVUYBWSU-LLVKDONJSA-N 1 0 309.322 1.311 20 5 DDBDRO Cc1cc(C(=O)N[C@@H]2CC[NH2+]C3(CCC3)C2)c(N)c([N+](=O)[O-])c1 ZINC000843505030 702896569 /nfs/dbraw/zinc/89/65/69/702896569.db2.gz UJMIIPPJTDCRSF-LLVKDONJSA-N 1 0 318.377 1.890 20 5 DDBDRO C[C@H](CCO)[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000844450022 703033273 /nfs/dbraw/zinc/03/32/73/703033273.db2.gz NWFBTRQIDUAKNE-SNVBAGLBSA-N 1 0 313.329 1.765 20 5 DDBDRO Cc1cc(F)cc(C(=O)N[C@@H](C[NH3+])C(F)(F)F)c1[N+](=O)[O-] ZINC000848437691 703550544 /nfs/dbraw/zinc/55/05/44/703550544.db2.gz CUFMGZMDTCWGEE-QMMMGPOBSA-N 1 0 309.219 1.662 20 5 DDBDRO CCNS(=O)(=O)CC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000848534639 703561575 /nfs/dbraw/zinc/56/15/75/703561575.db2.gz SZCHWYSBNJVPIH-GFCCVEGCSA-N 1 0 313.379 1.111 20 5 DDBDRO CCO[C@H](CNC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)C[NH+](C)C ZINC000831722998 706762784 /nfs/dbraw/zinc/76/27/84/706762784.db2.gz CLASWHCAGKTJCP-IUODEOHRSA-N 1 0 323.393 1.781 20 5 DDBDRO C[NH+](C)CC1(NC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CCC1 ZINC000831734242 706766152 /nfs/dbraw/zinc/76/61/52/706766152.db2.gz RYDKLDUVFIWWPH-ZDUSSCGKSA-N 1 0 307.350 1.229 20 5 DDBDRO Cc1noc(C[N@@H+]2CCC[C@@H](C3(C)OCCO3)C2)c1[N+](=O)[O-] ZINC000851924520 703883922 /nfs/dbraw/zinc/88/39/22/703883922.db2.gz OPUWKAGYLGMLCF-LLVKDONJSA-N 1 0 311.338 1.866 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C2CCN(C3CC3)CC2)c1 ZINC000818945632 704031526 /nfs/dbraw/zinc/03/15/26/704031526.db2.gz MRTZXUVISOYHOA-MRXNPFEDSA-N 1 0 305.378 1.845 20 5 DDBDRO C[C@H](C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)Cn1cccn1 ZINC000818960796 704035306 /nfs/dbraw/zinc/03/53/06/704035306.db2.gz KVZPMSXPJSTHTQ-DOMZBBRYSA-N 1 0 304.350 1.751 20 5 DDBDRO COC(=O)[C@@H]1OCC[C@@H]1[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000852414421 704038659 /nfs/dbraw/zinc/03/86/59/704038659.db2.gz NNVXJOJVTGPKMV-CMPLNLGQSA-N 1 0 314.725 1.668 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCOC[C@@H]2CCOC2)c1 ZINC000819046465 704057644 /nfs/dbraw/zinc/05/76/44/704057644.db2.gz PFKQMBDBRRZFCP-DOMZBBRYSA-N 1 0 310.350 1.271 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCOC[C@H]2CCOC2)c1 ZINC000819046468 704057699 /nfs/dbraw/zinc/05/76/99/704057699.db2.gz PFKQMBDBRRZFCP-SWLSCSKDSA-N 1 0 310.350 1.271 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]Cc2cnc3n2CCCC3)c1 ZINC000819299513 704103480 /nfs/dbraw/zinc/10/34/80/704103480.db2.gz YYYVADIEKHMOPC-HNNXBMFYSA-N 1 0 316.361 1.951 20 5 DDBDRO Cc1ccc([C@H](C)NC(=O)C2=NO[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000852852662 704148486 /nfs/dbraw/zinc/14/84/86/704148486.db2.gz DTCXADNNIQJEBN-ONGXEEELSA-N 1 0 306.322 1.184 20 5 DDBDRO O=C(CCC12CC(C1)C[NH2+]2)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000870884818 704157114 /nfs/dbraw/zinc/15/71/14/704157114.db2.gz CGPDPDXSRCOJAX-UHFFFAOYSA-N 1 0 319.361 1.622 20 5 DDBDRO CCOC(=O)Cc1ccc(N(C)CC2C[NH+](C)C2)c([N+](=O)[O-])c1 ZINC000853824398 704321847 /nfs/dbraw/zinc/32/18/47/704321847.db2.gz FFEAQOJNJGMXID-UHFFFAOYSA-N 1 0 321.377 1.698 20 5 DDBDRO CC(=O)N1C[C@@H]2C[N@@H+](CCOc3cccc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC000821331815 704392249 /nfs/dbraw/zinc/39/22/49/704392249.db2.gz DXBADFPNHPYQJP-OKILXGFUSA-N 1 0 319.361 1.384 20 5 DDBDRO CCN(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C)C1 ZINC000855362977 704481019 /nfs/dbraw/zinc/48/10/19/704481019.db2.gz QORNKHPKFMUFNV-LLVKDONJSA-N 1 0 322.321 1.669 20 5 DDBDRO CC1(C)C[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@@H]2COC[C@@H]21 ZINC000832774715 706981248 /nfs/dbraw/zinc/98/12/48/706981248.db2.gz AFIBRHMTFNNLPY-RRFJBIMHSA-N 1 0 306.362 1.985 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1-c1noc([C@@H]2C[C@H]2C2CC[NH2+]CC2)n1 ZINC000823089719 705135819 /nfs/dbraw/zinc/13/58/19/705135819.db2.gz WZMWSMJNTXAXKX-VHSXEESVSA-N 1 0 318.337 1.481 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1-c1noc([C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)n1 ZINC000823089791 705136135 /nfs/dbraw/zinc/13/61/35/705136135.db2.gz YEGQGTHUSLYRQZ-BBBLOLIVSA-N 1 0 318.337 1.972 20 5 DDBDRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000874827730 705186115 /nfs/dbraw/zinc/18/61/15/705186115.db2.gz SWYYQWWTDQFOBI-RRFJBIMHSA-N 1 0 319.361 1.323 20 5 DDBDRO CNc1c(C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3C)cccc1[N+](=O)[O-] ZINC000874833542 705190915 /nfs/dbraw/zinc/19/09/15/705190915.db2.gz LUCXSJHPRPNANT-STQMWFEESA-N 1 0 318.377 1.945 20 5 DDBDRO C[NH+](C)[C@@H]1C[C@H](NC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C1(C)C ZINC000824094910 705374668 /nfs/dbraw/zinc/37/46/68/705374668.db2.gz NOCCNTXPQNELKY-MJBXVCDLSA-N 1 0 321.377 1.473 20 5 DDBDRO O=C(c1cc(F)ccc1[N+](=O)[O-])N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000861708586 705545343 /nfs/dbraw/zinc/54/53/43/705545343.db2.gz AZGKGERYDGYHCS-VXGBXAGGSA-N 1 0 323.324 1.015 20 5 DDBDRO CCN(C(=O)c1cc([N+](=O)[O-])cnc1N)C1CC[NH+](C)CC1 ZINC000861892073 705596483 /nfs/dbraw/zinc/59/64/83/705596483.db2.gz AAMQOTBFUZEKJO-UHFFFAOYSA-N 1 0 307.354 1.128 20 5 DDBDRO O=C(/C=C/[C@@H]1CCC[NH2+]C1)NCCNc1ccccc1[N+](=O)[O-] ZINC000876563377 705759641 /nfs/dbraw/zinc/75/96/41/705759641.db2.gz FFTYUZWKAKWBJJ-GWJCSSMESA-N 1 0 318.377 1.679 20 5 DDBDRO C[N@@H+]1CCCC[C@H](CNC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000862794748 705800264 /nfs/dbraw/zinc/80/02/64/705800264.db2.gz HARPOQYTXYZJGK-IUODEOHRSA-N 1 0 321.377 1.476 20 5 DDBDRO O=C(NC[C@H]1C[NH2+]CCO1)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000876916535 705922519 /nfs/dbraw/zinc/92/25/19/705922519.db2.gz CSQUOHRIKGBGDP-CYBMUJFWSA-N 1 0 315.329 1.466 20 5 DDBDRO C[NH2+]CCOCCN(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000863551113 705955448 /nfs/dbraw/zinc/95/54/48/705955448.db2.gz HMKBTRIYOJLXPQ-UHFFFAOYSA-N 1 0 301.774 1.916 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3cccc(F)c3[N+](=O)[O-])CC[C@H]21 ZINC000827234542 705957498 /nfs/dbraw/zinc/95/74/98/705957498.db2.gz YIUJSOWODZCCQP-TZMCWYRMSA-N 1 0 321.352 1.829 20 5 DDBDRO O=[N+]([O-])c1ccc(Cc2noc([C@@H](F)[C@@H]3CC[NH2+]C3)n2)nc1 ZINC000863663638 705980733 /nfs/dbraw/zinc/98/07/33/705980733.db2.gz GMYSEWXPBTWAQZ-PELKAZGASA-N 1 0 307.285 1.584 20 5 DDBDRO C/C(=C\C(=O)NCC[N@@H+]1CC[C@H](O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000863833367 706024566 /nfs/dbraw/zinc/02/45/66/706024566.db2.gz PIANAICXVPDSEJ-PABFRNLHSA-N 1 0 319.361 1.181 20 5 DDBDRO C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000827626289 706039841 /nfs/dbraw/zinc/03/98/41/706039841.db2.gz VHAHOYQPYMMQOU-ZNMIVQPWSA-N 1 0 303.362 1.909 20 5 DDBDRO COCC1(C2CC2)C[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000871989768 707271063 /nfs/dbraw/zinc/27/10/63/707271063.db2.gz SCSXOQWBBVJOTF-HNNXBMFYSA-N 1 0 306.362 1.987 20 5 DDBDRO C[C@@H](NC[C@@H](O)C[NH+]1CCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872026077 707282331 /nfs/dbraw/zinc/28/23/31/707282331.db2.gz ACSHKWGCZPCLGB-VXGBXAGGSA-N 1 0 311.357 1.841 20 5 DDBDRO COc1ccncc1C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877547995 706139263 /nfs/dbraw/zinc/13/92/63/706139263.db2.gz CECBKWBXTVRSDI-UHFFFAOYSA-N 1 0 303.322 1.688 20 5 DDBDRO CONC(=O)C1CC[NH+](Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000877784309 706210428 /nfs/dbraw/zinc/21/04/28/706210428.db2.gz FBOXUPONRBFTFB-UHFFFAOYSA-N 1 0 307.350 1.793 20 5 DDBDRO C[NH+](C)C1(CNC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CCC1 ZINC000830618762 706546705 /nfs/dbraw/zinc/54/67/05/706546705.db2.gz KGNHJIITQDGGRR-CYBMUJFWSA-N 1 0 307.350 1.229 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CC([N@@H+]3CC[C@@H](O)C3)C2)c(C(F)F)c1 ZINC000865899699 706557331 /nfs/dbraw/zinc/55/73/31/706557331.db2.gz LHDKPMHPQDJGQY-LLVKDONJSA-N 1 0 313.304 1.788 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(c3nc4ccccn4c3[N+](=O)[O-])C[C@@H]2C1 ZINC000865904874 706559013 /nfs/dbraw/zinc/55/90/13/706559013.db2.gz XNCSMWHNDMSXFA-NEPJUHHUSA-N 1 0 301.350 1.630 20 5 DDBDRO O=[N+]([O-])c1ccc(CCN2C[C@@H]3CCC[N@H+]3C[C@@H]2CO)cc1 ZINC000880069299 706869488 /nfs/dbraw/zinc/86/94/88/706869488.db2.gz CZCHOATVMRCVEH-JKSUJKDBSA-N 1 0 305.378 1.278 20 5 DDBDRO Cc1noc(CN2CCC[C@@H]([NH2+]C3CCOCC3)C2)c1[N+](=O)[O-] ZINC000880202040 706908844 /nfs/dbraw/zinc/90/88/44/706908844.db2.gz WOEQTDAFPWCEIP-CYBMUJFWSA-N 1 0 324.381 1.624 20 5 DDBDRO C[NH2+]C[C@H]1CCN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000832638666 706954614 /nfs/dbraw/zinc/95/46/14/706954614.db2.gz FCNBXDMNEKYWFC-LLVKDONJSA-N 1 0 317.349 1.012 20 5 DDBDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)C1 ZINC000833458976 707008529 /nfs/dbraw/zinc/00/85/29/707008529.db2.gz RIGODNAOMYOISR-GOEBONIOSA-N 1 0 319.361 1.182 20 5 DDBDRO C[C@H]([NH2+]C[C@H]1C[C@@H]2COC[C@@H]2O1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000926945163 712921794 /nfs/dbraw/zinc/92/17/94/712921794.db2.gz UYNPOJBDDKJHMG-NFOTXUCKSA-N 1 0 307.350 1.632 20 5 DDBDRO O=C(NC[C@@H]1C[NH2+]CCCO1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000834857180 707141047 /nfs/dbraw/zinc/14/10/47/707141047.db2.gz DQXFDBXFFKJCPB-JTQLQIEISA-N 1 0 313.741 1.357 20 5 DDBDRO Cn1nccc1[C@H](O)C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000927133461 712945757 /nfs/dbraw/zinc/94/57/57/712945757.db2.gz YWJXCQRRHRXNMR-IUODEOHRSA-N 1 0 302.334 1.639 20 5 DDBDRO CS[C@@H]1CN(c2ccnc(F)c2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000882136748 707513069 /nfs/dbraw/zinc/51/30/69/707513069.db2.gz QOERRLPLMYCSDX-NXEZZACHSA-N 1 0 300.359 1.611 20 5 DDBDRO CC[C@H]1C[N@H+](CC)CCN1C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000836944585 707552197 /nfs/dbraw/zinc/55/21/97/707552197.db2.gz BAIFWSWFUAMCEW-ZFWWWQNUSA-N 1 0 321.377 1.571 20 5 DDBDRO C[N@H+](CCCCNC(=O)c1cc([N+](=O)[O-])c(F)cc1N)C1CC1 ZINC000837224218 707600912 /nfs/dbraw/zinc/60/09/12/707600912.db2.gz CCWNGVWPQOIYFA-UHFFFAOYSA-N 1 0 324.356 1.920 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CCC(C)([NH+]3CCC3)CC2)n1 ZINC000882509380 707672890 /nfs/dbraw/zinc/67/28/90/707672890.db2.gz OXYGYUVFZIJSEU-UHFFFAOYSA-N 1 0 321.381 1.512 20 5 DDBDRO Cn1ccnc1[C@@H](NC[C@H]1C[C@@H]([NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC000873249699 707784115 /nfs/dbraw/zinc/78/41/15/707784115.db2.gz MUGHOABSVOTZIO-LNSITVRQSA-N 1 0 315.377 1.745 20 5 DDBDRO CC[NH+](CC)CCCOC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000838285204 707887641 /nfs/dbraw/zinc/88/76/41/707887641.db2.gz OCPMNWVQTZNMCS-CQSZACIVSA-N 1 0 310.350 1.903 20 5 DDBDRO C/C=C\C[C@H](CO)[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000883090112 707922614 /nfs/dbraw/zinc/92/26/14/707922614.db2.gz CGNSGSZXCHETKL-ZZKXABKFSA-N 1 0 308.334 1.783 20 5 DDBDRO CON(C)CC[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000883172791 707947133 /nfs/dbraw/zinc/94/71/33/707947133.db2.gz SXVGABFTDYYYLB-UHFFFAOYSA-N 1 0 305.281 1.779 20 5 DDBDRO COc1ccc(C[NH2+][C@@H]2CC(=O)N(CC3CC3)C2)cc1[N+](=O)[O-] ZINC000883403415 707992084 /nfs/dbraw/zinc/99/20/84/707992084.db2.gz RZMNXSBETKZEEE-CYBMUJFWSA-N 1 0 319.361 1.704 20 5 DDBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000883898036 708078975 /nfs/dbraw/zinc/07/89/75/708078975.db2.gz RMXGUMWUSYQJSN-OAHLLOKOSA-N 1 0 320.393 1.873 20 5 DDBDRO CN1CCN(c2ncc(Cl)cc2[N+](=O)[O-])CC[N@H+](C)CC1 ZINC000897098745 708229764 /nfs/dbraw/zinc/22/97/64/708229764.db2.gz UVUYRJLGAVELPI-UHFFFAOYSA-N 1 0 313.789 1.327 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCCOCC[NH+](C)C)c1C ZINC000897312765 708288664 /nfs/dbraw/zinc/28/86/64/708288664.db2.gz MBIXXWJMFPRXLX-UHFFFAOYSA-N 1 0 309.366 1.520 20 5 DDBDRO COc1cc(C[NH2+][C@H]2CC23CC(O)C3)c([N+](=O)[O-])cc1OC ZINC000897851172 708469545 /nfs/dbraw/zinc/46/95/45/708469545.db2.gz RAEPVZMKNBWOSL-CUMGRINNSA-N 1 0 308.334 1.615 20 5 DDBDRO COC(=O)[C@H]1CC[C@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000886547423 708776042 /nfs/dbraw/zinc/77/60/42/708776042.db2.gz LBXULYKNZQATSE-RYUDHWBXSA-N 1 0 308.334 1.905 20 5 DDBDRO O=c1c2cc([N+](=O)[O-])ccc2ncn1C[C@@H]1CCCC[NH2+]C1 ZINC000899624315 709129043 /nfs/dbraw/zinc/12/90/43/709129043.db2.gz POVSROIYHKCNJX-LLVKDONJSA-N 1 0 302.334 1.694 20 5 DDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)C1C[NH+](C2CCOCC2)C1 ZINC000899910607 709235070 /nfs/dbraw/zinc/23/50/70/709235070.db2.gz JLGPQUMZSBVYNN-UHFFFAOYSA-N 1 0 305.334 1.644 20 5 DDBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889778942 709630903 /nfs/dbraw/zinc/63/09/03/709630903.db2.gz CEBSESVAAWCXKD-CABCVRRESA-N 1 0 319.361 1.266 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912924183 713126274 /nfs/dbraw/zinc/12/62/74/713126274.db2.gz STBQDKOMEKLYMU-CYBMUJFWSA-N 1 0 318.377 1.581 20 5 DDBDRO CC(C)(C(=O)NCC[N@@H+]1CCC(C)(C)C1)n1cc([N+](=O)[O-])cn1 ZINC000890078355 709737152 /nfs/dbraw/zinc/73/71/52/709737152.db2.gz BOKFKIGVCSMRMM-UHFFFAOYSA-N 1 0 323.397 1.375 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)OC[C@@H]1CCCC[N@H+]1C(C)C ZINC000910205631 709813952 /nfs/dbraw/zinc/81/39/52/709813952.db2.gz LXBYNPBMXIKZML-ZDUSSCGKSA-N 1 0 324.381 1.906 20 5 DDBDRO CCN(C(=O)NCc1cc([N+](=O)[O-])ccc1OC)[C@@H]1CC[NH2+]C1 ZINC000891396183 710183562 /nfs/dbraw/zinc/18/35/62/710183562.db2.gz FHLQATYQIBTBSH-CYBMUJFWSA-N 1 0 322.365 1.497 20 5 DDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000891606705 710246667 /nfs/dbraw/zinc/24/66/67/710246667.db2.gz IGVNEEITFWLKLY-ZBFHGGJFSA-N 1 0 318.377 1.721 20 5 DDBDRO Cc1ccc(CNC(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-] ZINC000892537446 710454148 /nfs/dbraw/zinc/45/41/48/710454148.db2.gz UQLKSFPWJQXBRB-BETUJISGSA-N 1 0 304.350 1.549 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@]3(C)C[N@H+](C)C[C@]3(C)C2)n1 ZINC000913280520 713190321 /nfs/dbraw/zinc/19/03/21/713190321.db2.gz DUQRVZDKMGLZIT-GASCZTMLSA-N 1 0 321.381 1.225 20 5 DDBDRO C[C@@H]1[C@H](NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000928435418 713194135 /nfs/dbraw/zinc/19/41/35/713194135.db2.gz GOTSLOXNZUWBCY-BXKDBHETSA-N 1 0 313.304 1.895 20 5 DDBDRO CC1(C)C[NH2+]C[C@@H]1N[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000902445239 710756666 /nfs/dbraw/zinc/75/66/66/710756666.db2.gz PJBGZRKUVNAJFD-AGIUHOORSA-N 1 0 307.398 1.863 20 5 DDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)n1 ZINC000902466843 710762688 /nfs/dbraw/zinc/76/26/88/710762688.db2.gz NOAIUIDKPKGYHQ-MBJXGIAVSA-N 1 0 305.382 1.758 20 5 DDBDRO CO[C@@H]1CC[C@H]1[N@H+](C)Cn1nc(C)c2cc([N+](=O)[O-])cnc21 ZINC000902635596 710830406 /nfs/dbraw/zinc/83/04/06/710830406.db2.gz AWYHMDWWNQMIRW-CHWSQXEVSA-N 1 0 305.338 1.715 20 5 DDBDRO CC1(C)CN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@H]1[NH3+] ZINC000903556444 711192858 /nfs/dbraw/zinc/19/28/58/711192858.db2.gz ZOFUHZVUBXJREI-ZIAGYGMSSA-N 1 0 318.377 1.369 20 5 DDBDRO [NH3+]C[C@H]1Cc2cc(F)ccc2N(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000903568652 711200720 /nfs/dbraw/zinc/20/07/20/711200720.db2.gz NCNBGLKIJMLNQD-LLVKDONJSA-N 1 0 319.340 1.568 20 5 DDBDRO CC[C@@H]1C[N@H+](C)CCN1Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000894641746 711226786 /nfs/dbraw/zinc/22/67/86/711226786.db2.gz XIWGEZUGBVUUBY-GFCCVEGCSA-N 1 0 309.366 1.835 20 5 DDBDRO COc1cc([N+](=O)[O-])cnc1N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000894646293 711228170 /nfs/dbraw/zinc/22/81/70/711228170.db2.gz VOSQONOFKBJRHD-ZDUSSCGKSA-N 1 0 324.381 1.545 20 5 DDBDRO O=[N+]([O-])c1cccc2c1CCN(C[C@@H]1C[C@@]3(CC[NH2+]C3)CO1)C2 ZINC000903882375 711315375 /nfs/dbraw/zinc/31/53/75/711315375.db2.gz NCGKOILCVDQXEO-WMLDXEAASA-N 1 0 317.389 1.722 20 5 DDBDRO CC(=O)c1ccc(N2CC[C@@](O)(C[NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000895009071 711365028 /nfs/dbraw/zinc/36/50/28/711365028.db2.gz OZAVZUMDANKPLW-OAHLLOKOSA-N 1 0 307.350 1.300 20 5 DDBDRO COc1c(O)ccc(C[NH+]2C[C@H](C)C(O)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000895366288 711495361 /nfs/dbraw/zinc/49/53/61/711495361.db2.gz JUWFSMBVTQUBSG-UWVGGRQHSA-N 1 0 310.350 1.758 20 5 DDBDRO CC1(C)C[NH2+]C[C@@H]1NCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000904461479 711860831 /nfs/dbraw/zinc/86/08/31/711860831.db2.gz BLLRNFXERSRRQR-AWEZNQCLSA-N 1 0 307.350 1.454 20 5 DDBDRO COc1ccc(OC(=O)COC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000904852552 711897491 /nfs/dbraw/zinc/89/74/91/711897491.db2.gz QBLDQWXLPPWLOP-UHFFFAOYSA-N 1 0 324.333 1.620 20 5 DDBDRO CO[C@]1(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCSC1 ZINC000905547249 712073324 /nfs/dbraw/zinc/07/33/24/712073324.db2.gz VFVQIVVTFPJFJA-KBPBESRZSA-N 1 0 312.391 1.740 20 5 DDBDRO O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1NCC[NH+]1CCCC1 ZINC000917008653 713477934 /nfs/dbraw/zinc/47/79/34/713477934.db2.gz ZEKJYBMKPJWDFA-UHFFFAOYSA-N 1 0 318.377 1.995 20 5 DDBDRO O=[N+]([O-])c1cccc(CC[NH2+]Cc2cnc3n2CCOC3)c1 ZINC000921940480 713915665 /nfs/dbraw/zinc/91/56/65/713915665.db2.gz SLRJUCQPMLYEGU-UHFFFAOYSA-N 1 0 302.334 1.654 20 5 DDBDRO Cc1cncc([N+](=O)[O-])c1NC(=O)N1CCC12CC[NH+](C)CC2 ZINC000930875214 713947522 /nfs/dbraw/zinc/94/75/22/713947522.db2.gz LJONZUDVZRPFPV-UHFFFAOYSA-N 1 0 319.365 1.422 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@@H]([NH+](C)C)[C@@H]1C ZINC000931044359 713989635 /nfs/dbraw/zinc/98/96/35/713989635.db2.gz MMXVVMJWKISDHX-SWLSCSKDSA-N 1 0 320.393 1.866 20 5 DDBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCN(C)[C@H](CO)C1 ZINC000931408730 714087815 /nfs/dbraw/zinc/08/78/15/714087815.db2.gz DRZWCMSTMDMYBH-HNNXBMFYSA-N 1 0 323.393 1.490 20 5 DDBDRO C[NH+](C)CC1(O)CCN(Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000931485774 714108814 /nfs/dbraw/zinc/10/88/14/714108814.db2.gz DPZDGWSPQUJHSL-UHFFFAOYSA-N 1 0 311.357 1.622 20 5 DDBDRO CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2CC[N+](=O)[O-])C1 ZINC000931564210 714128980 /nfs/dbraw/zinc/12/89/80/714128980.db2.gz VINJQZMPGZQNOI-QWHCGFSZSA-N 1 0 313.398 1.985 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC[C@@H](C3OCCO3)C2)c1 ZINC000932004571 714231291 /nfs/dbraw/zinc/23/12/91/714231291.db2.gz ZGPRZMRHWXEXNJ-TZMCWYRMSA-N 1 0 308.334 1.323 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@H](c2ccn(C)n2)C1 ZINC000932132728 714267749 /nfs/dbraw/zinc/26/77/49/714267749.db2.gz NODASDDXWGJQEQ-CYBMUJFWSA-N 1 0 318.381 1.713 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000923270520 714291985 /nfs/dbraw/zinc/29/19/85/714291985.db2.gz BIKIROMFSOFARP-CMPLNLGQSA-N 1 0 305.334 1.609 20 5 DDBDRO C[C@@H]1CN(C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@H](C)C[NH2+]1 ZINC000923362861 714327837 /nfs/dbraw/zinc/32/78/37/714327837.db2.gz YTOFRACNBKUHFQ-UPJWGTAASA-N 1 0 309.366 1.017 20 5 DDBDRO CC(C)[C@@H]1C[NH2+]CCN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000923397495 714341634 /nfs/dbraw/zinc/34/16/34/714341634.db2.gz COFIZBLGWKNYBG-HIFRSBDPSA-N 1 0 323.393 1.264 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CN1CCC[C@H]([NH2+]CCO)C1 ZINC000923402867 714343846 /nfs/dbraw/zinc/34/38/46/714343846.db2.gz NXMUVFRWWSUUSE-ZDUSSCGKSA-N 1 0 309.366 1.150 20 5 DDBDRO C[C@@H]1COC[C@H]1[NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000932493321 714345716 /nfs/dbraw/zinc/34/57/16/714345716.db2.gz DXRNDSHXNVUCPX-LDYMZIIASA-N 1 0 313.741 1.811 20 5 DDBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000923462287 714363939 /nfs/dbraw/zinc/36/39/39/714363939.db2.gz AGGGTGJPAVALPU-SGMGOOAPSA-N 1 0 318.377 1.606 20 5 DDBDRO CC[NH+](CC)CCCCNC(=O)Cn1c(C)ncc1[N+](=O)[O-] ZINC000932707122 714394178 /nfs/dbraw/zinc/39/41/78/714394178.db2.gz RDUUQNALWOWKQU-UHFFFAOYSA-N 1 0 311.386 1.338 20 5 DDBDRO CN(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000923589190 714419673 /nfs/dbraw/zinc/41/96/73/714419673.db2.gz OCFCDDSPPAJQKX-GFCCVEGCSA-N 1 0 313.379 1.108 20 5 DDBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)Cn2c(C)ncc2[N+](=O)[O-])C1 ZINC000933779684 714669584 /nfs/dbraw/zinc/66/95/84/714669584.db2.gz PRHLHTOMOUSNOY-CYBMUJFWSA-N 1 0 323.397 1.290 20 5 DDBDRO O=[N+]([O-])c1cccc(OCC[NH2+][C@H]2CCOC23CCOCC3)c1 ZINC000934407762 714813391 /nfs/dbraw/zinc/81/33/91/714813391.db2.gz LFXRJZRWKIFGCT-HNNXBMFYSA-N 1 0 322.361 1.901 20 5 DDBDRO O=[N+]([O-])c1ccnc(N2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)c1 ZINC001164966110 722067348 /nfs/dbraw/zinc/06/73/48/722067348.db2.gz WDUNUYSGOXKLTR-OKILXGFUSA-N 1 0 304.350 1.289 20 5 DDBDRO COC(=O)c1cnc(N[C@H]2C[NH+]3CCC2CC3)c([N+](=O)[O-])c1 ZINC001120978409 782269910 /nfs/dbraw/zinc/26/99/10/782269910.db2.gz UFZDUENJIJPCBU-NSHDSACASA-N 1 0 306.322 1.283 20 5 DDBDRO COC(=O)c1cnc(N[C@@H]2CC[C@@H]3C[N@H+](C)C[C@@H]23)c([N+](=O)[O-])c1 ZINC001121008534 782293373 /nfs/dbraw/zinc/29/33/73/782293373.db2.gz FMVLKIVBSXDQOJ-YUSALJHKSA-N 1 0 320.349 1.529 20 5 DDBDRO COc1ncc([N+](=O)[O-])c(-n2ccc3cc(C[NH3+])cnc32)n1 ZINC001167304981 733115732 /nfs/dbraw/zinc/11/57/32/733115732.db2.gz HHFVCNWDPRQTSS-UHFFFAOYSA-N 1 0 300.278 1.191 20 5 DDBDRO O=C(CC1CC1)N[C@@H]1[C@H]2C[N@@H+](Cc3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC001025649153 736808776 /nfs/dbraw/zinc/80/87/76/736808776.db2.gz FCGJLKCYGSPNFZ-QLPKVWCKSA-N 1 0 315.373 1.941 20 5 DDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001029305424 740551664 /nfs/dbraw/zinc/55/16/64/740551664.db2.gz YJQWMKNHAMWQMZ-QKPAOTATSA-N 1 0 315.373 1.527 20 5 DDBDRO Cc1cnccc1C(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001126777666 742106181 /nfs/dbraw/zinc/10/61/81/742106181.db2.gz YHDVJNMTPABHJO-UHFFFAOYSA-N 1 0 314.345 1.818 20 5 DDBDRO Cc1cc(C)cc(OCC[NH2+]CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC001126943058 742937417 /nfs/dbraw/zinc/93/74/17/742937417.db2.gz IWPORUFUVSCPHL-HUUCEWRRSA-N 1 0 321.377 1.053 20 5 DDBDRO Cc1ccc(C)c(C[NH+]2CC(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c1 ZINC001031662071 747336690 /nfs/dbraw/zinc/33/66/90/747336690.db2.gz SWDOGONZDWBLOR-HZPDHXFCSA-N 1 0 317.389 1.517 20 5 DDBDRO CCOc1cnc(-n2cc3c(n2)CC[C@@H]([NH3+])C3)c([N+](=O)[O-])c1 ZINC001168809265 762044226 /nfs/dbraw/zinc/04/42/26/762044226.db2.gz QAWFILGESMJNBF-SNVBAGLBSA-N 1 0 303.322 1.390 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])cc(-n2cc3c(n2)CC[C@@H]([NH3+])C3)c1 ZINC001168820801 762051027 /nfs/dbraw/zinc/05/10/27/762051027.db2.gz LPPFARMBXVGFLP-LLVKDONJSA-N 1 0 316.317 1.383 20 5 DDBDRO Cc1ncoc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001034645807 750627850 /nfs/dbraw/zinc/62/78/50/750627850.db2.gz WFJBNYHUASHOGP-FDYHWXHSSA-N 1 0 322.365 1.165 20 5 DDBDRO CCC1(Nc2nccc(Br)c2[N+](=O)[O-])C[NH2+]C1 ZINC001168582089 751130544 /nfs/dbraw/zinc/13/05/44/751130544.db2.gz HQMVQDUDNQFYHR-UHFFFAOYSA-N 1 0 301.144 1.916 20 5 DDBDRO COc1nc(C)nc(N[C@H]2CCCC[C@@H]2[NH+](C)C)c1[N+](=O)[O-] ZINC001168593434 751234795 /nfs/dbraw/zinc/23/47/95/751234795.db2.gz NVWVCOUEJHGQHE-QWRGUYRKSA-N 1 0 309.370 1.987 20 5 DDBDRO CS(=O)(=O)c1cccc(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001168965567 762157431 /nfs/dbraw/zinc/15/74/31/762157431.db2.gz ARDTWVWPNLZQDM-STQMWFEESA-N 1 0 312.391 1.625 20 5 DDBDRO CCc1nnc2ccc(C[NH2+][C@@H]3CC[C@H](C[N+](=O)[O-])C3)cn21 ZINC001168994062 762168026 /nfs/dbraw/zinc/16/80/26/762168026.db2.gz OIMRHECMUMDUQI-WCQYABFASA-N 1 0 303.366 1.827 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(-n3ccnn3)cc2)C1 ZINC001169001510 762172967 /nfs/dbraw/zinc/17/29/67/762172967.db2.gz GQHXOVDSSKEYTJ-ZIAGYGMSSA-N 1 0 301.350 1.802 20 5 DDBDRO CCOC[C@@H]1C[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)Cc2c1cnn2C ZINC001169019491 762199897 /nfs/dbraw/zinc/19/98/97/762199897.db2.gz ISKAINDYZWOEGU-RDBSUJKOSA-N 1 0 322.409 1.801 20 5 DDBDRO CCN1CC[C@@]2(C[N@@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@@H]2C)C1=O ZINC001169025835 762203189 /nfs/dbraw/zinc/20/31/89/762203189.db2.gz ZGHNKMYSVBISMA-AYDFFVQHSA-N 1 0 309.410 1.622 20 5 DDBDRO Cc1cc(Cl)c(-n2cncc2C[C@@H]([NH3+])CO)c([N+](=O)[O-])c1 ZINC001169074969 762222692 /nfs/dbraw/zinc/22/26/92/762222692.db2.gz CGYFOXLQRJKLRU-SECBINFHSA-N 1 0 310.741 1.604 20 5 DDBDRO C[C@@H]([NH3+])c1ccn(-c2ccc([N+](=O)[O-])c3c2CCN(C)C3)n1 ZINC001169234355 762293145 /nfs/dbraw/zinc/29/31/45/762293145.db2.gz HPXICHIDRHPOPW-SNVBAGLBSA-N 1 0 301.350 1.788 20 5 DDBDRO [NH3+]Cc1cnnn1-c1c(Br)cc(F)cc1[N+](=O)[O-] ZINC001169311517 762358925 /nfs/dbraw/zinc/35/89/25/762358925.db2.gz YKENUKNUPSFOQN-UHFFFAOYSA-N 1 0 316.090 1.536 20 5 DDBDRO C[C@H](C[NH+](C)C)Nc1cc([N+](=O)[O-])cc(Br)[n+]1[O-] ZINC001163776510 755180657 /nfs/dbraw/zinc/18/06/57/755180657.db2.gz CBLKLSVZXOUWHS-SSDOTTSWSA-N 1 0 319.159 1.353 20 5 DDBDRO C[C@H](NC(=O)c1ccc([N+](=O)[O-])s1)[C@H]1C[N@H+](C)CCN1C ZINC000829053681 759871099 /nfs/dbraw/zinc/87/10/99/759871099.db2.gz IYNZNMKFPPTZES-VHSXEESVSA-N 1 0 312.395 1.020 20 5 DDBDRO Cc1ccncc1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001086082724 760942110 /nfs/dbraw/zinc/94/21/10/760942110.db2.gz BNZXKZNVSYMNQE-FAAHXZRKSA-N 1 0 318.377 1.040 20 5 DDBDRO COc1ccc(C[C@H](C)[NH2+]CC2(O)CCOCC2)c([N+](=O)[O-])c1 ZINC001170308630 766259587 /nfs/dbraw/zinc/25/95/87/766259587.db2.gz NCUFRKSNKYVOQJ-LBPRGKRZSA-N 1 0 324.377 1.666 20 5 DDBDRO Cc1cc(Cl)nc(-n2cc3c(n2)CC[C@H]([NH3+])C3)c1[N+](=O)[O-] ZINC001157988134 767613546 /nfs/dbraw/zinc/61/35/46/767613546.db2.gz KYQKVYIFXNEQEW-VIFPVBQESA-N 1 0 307.741 1.953 20 5 DDBDRO O=[N+]([O-])c1cccc(-c2ccc(N[C@H]3C[NH2+]C[C@@H]3CO)nn2)c1 ZINC001170776544 771209546 /nfs/dbraw/zinc/20/95/46/771209546.db2.gz GNDWQXFLDWBRRL-RISCZKNCSA-N 1 0 315.333 1.044 20 5 DDBDRO O=[N+]([O-])c1ccc(N[C@H]2C[NH2+]C[C@H]2CO)c(C(F)(F)F)c1 ZINC001170783628 771275022 /nfs/dbraw/zinc/27/50/22/771275022.db2.gz YNGZDILLRRZAKF-CPCISQLKSA-N 1 0 305.256 1.606 20 5 DDBDRO Cc1cnc(N[C@H]2C[C@H](NC(=O)CC[NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC001097096735 771622410 /nfs/dbraw/zinc/62/24/10/771622410.db2.gz TUHHTZFMNLARFT-HAQNSBGRSA-N 1 0 321.381 1.309 20 5 DDBDRO COc1ccc(C[NH+](C)C)cc1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001135853660 771753750 /nfs/dbraw/zinc/75/37/50/771753750.db2.gz CCGAJSWUFRIMDB-UHFFFAOYSA-N 1 0 319.321 1.640 20 5 DDBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cnc(N)c([N+](=O)[O-])c2)C1 ZINC001137039021 772275681 /nfs/dbraw/zinc/27/56/81/772275681.db2.gz OKTULSKYHOQQBP-NSHDSACASA-N 1 0 321.381 1.376 20 5 DDBDRO Cc1ccc(NCCNC(=O)C[N@@H+](C)C(C)C)c([N+](=O)[O-])c1 ZINC001093673910 774987964 /nfs/dbraw/zinc/98/79/64/774987964.db2.gz CIJWPVSJZVYNNU-UHFFFAOYSA-N 1 0 308.382 1.772 20 5 DDBDRO Cc1ccc(NCCNC(=O)C2(C[NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC001094089987 775422855 /nfs/dbraw/zinc/42/28/55/775422855.db2.gz RRFWNONEOWPJRH-UHFFFAOYSA-N 1 0 320.393 1.773 20 5 DDBDRO CC[N@H+](C)CCC(=O)NCCCNc1ccccc1[N+](=O)[O-] ZINC001094574192 776049178 /nfs/dbraw/zinc/04/91/78/776049178.db2.gz QYNOOHAUYWXRNG-UHFFFAOYSA-N 1 0 308.382 1.855 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@H]([C@@H]2CCCO2)C2(CO)CCC2)n1 ZINC001171582188 776353550 /nfs/dbraw/zinc/35/35/50/776353550.db2.gz ISARQAMOKBQFLZ-GXTWGEPZSA-N 1 0 324.381 1.091 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@@H]1C=CS(=O)(=O)C1)CC2 ZINC001172899753 776914680 /nfs/dbraw/zinc/91/46/80/776914680.db2.gz PCUYOEZYKVUONR-ZIAGYGMSSA-N 1 0 322.386 1.743 20 5 DDBDRO CN1CC[C@@H]([NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1=O ZINC001172899754 776914727 /nfs/dbraw/zinc/91/47/27/776914727.db2.gz PDIDZFJFOPQTKF-DZGCQCFKSA-N 1 0 303.362 1.663 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]C1(CCO)COC1)CC2 ZINC001172899613 776914866 /nfs/dbraw/zinc/91/48/66/776914866.db2.gz BAEUYKMALVJQEM-CQSZACIVSA-N 1 0 306.362 1.583 20 5 DDBDRO [NH3+]CCC[C@H]([NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1)C(=O)[O-] ZINC001172902987 776915829 /nfs/dbraw/zinc/91/58/29/776915829.db2.gz OFWIWILZZDNEEO-HIFRSBDPSA-N 1 0 321.377 1.624 20 5 DDBDRO C[C@@]1(O)COCC[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172906393 776916924 /nfs/dbraw/zinc/91/69/24/776916924.db2.gz XPBWHHXHGSSTGE-WBVHZDCISA-N 1 0 320.389 1.925 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@@H]2COC(=O)C2)c1F ZINC001173188911 777036446 /nfs/dbraw/zinc/03/64/46/777036446.db2.gz MFNQWCGBCPMUBP-BDAKNGLRSA-N 1 0 312.297 1.579 20 5 DDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001173218510 777050632 /nfs/dbraw/zinc/05/06/32/777050632.db2.gz PQXROFIHPUJPIJ-DGCLKSJQSA-N 1 0 312.391 1.550 20 5 DDBDRO CN(CCNc1ccc([N+](=O)[O-])cc1)C(=O)C1CC[NH+](C)CC1 ZINC001101672067 777374608 /nfs/dbraw/zinc/37/46/08/777374608.db2.gz UDRZGHNYRHKQBC-UHFFFAOYSA-N 1 0 320.393 1.807 20 5 DDBDRO CN(CCNc1ccc([N+](=O)[O-])cc1)C(=O)C12CC[NH+](CC1)C2 ZINC001101696815 777404024 /nfs/dbraw/zinc/40/40/24/777404024.db2.gz GFHQBTJTWWOZNF-UHFFFAOYSA-N 1 0 318.377 1.561 20 5 DDBDRO C[NH+](C)CCC(=O)NCC1(Nc2ccc([N+](=O)[O-])cc2)CCC1 ZINC001111903473 779549334 /nfs/dbraw/zinc/54/93/34/779549334.db2.gz YSQLEOIISQRMON-UHFFFAOYSA-N 1 0 320.393 1.997 20 5 DDBDRO Cc1ccc(C[N@@H+](C)CCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1C ZINC001268238071 839873870 /nfs/dbraw/zinc/87/38/70/839873870.db2.gz VHWAUSUGTUILPI-HZPDHXFCSA-N 1 0 319.405 1.859 20 5 DDBDRO Nc1ccc(C(=O)N[C@H]2C[C@@H]([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC001142936626 861315504 /nfs/dbraw/zinc/31/55/04/861315504.db2.gz BHMZWRDJEGAYSY-TXEJJXNPSA-N 1 0 304.350 1.534 20 5 DDBDRO C[C@@H](C[N+](C)(C)C)OC[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC001224568942 844916416 /nfs/dbraw/zinc/91/64/16/844916416.db2.gz PTDHZTAPIAEFQM-KBPBESRZSA-N 1 0 317.450 1.734 20 5 DDBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001293855052 849612937 /nfs/dbraw/zinc/61/29/37/849612937.db2.gz LHQXWTIHCFXOFB-YUMQZZPRSA-N 1 0 315.761 1.384 20 5 DDBDRO O=[N+]([O-])c1cc(NCC[C@H]2CCOC23C[NH2+]C3)nc2[nH]ccc21 ZINC001155478204 862135807 /nfs/dbraw/zinc/13/58/07/862135807.db2.gz LCVOUJXFUVNTBO-JTQLQIEISA-N 1 0 317.349 1.652 20 5 DDBDRO O=[N+]([O-])c1c(Cl)ccnc1NC[C@H]1OC[C@H]2C[NH2+]CC[C@H]21 ZINC001155515115 862180716 /nfs/dbraw/zinc/18/07/16/862180716.db2.gz STIOPFZYSRFXJG-FXPVBKGRSA-N 1 0 312.757 1.680 20 5 DDBDRO O=[N+]([O-])c1cc(Cl)c2ncnc(N3C[C@H]4C[NH2+]C[C@H]4C3)c2c1 ZINC001327617090 862320584 /nfs/dbraw/zinc/32/05/84/862320584.db2.gz QNTUOECBRCAOCR-DTORHVGOSA-N 1 0 319.752 1.847 20 5 DDBDRO Nc1ncc(C(=O)NCC2CC[NH+](C3CC3)CC2)cc1[N+](=O)[O-] ZINC001156374488 862984979 /nfs/dbraw/zinc/98/49/79/862984979.db2.gz LSFUCCICXQFRIG-UHFFFAOYSA-N 1 0 319.365 1.176 20 5 DDBDRO O=C([C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC001121932261 858637996 /nfs/dbraw/zinc/63/79/96/858637996.db2.gz WNOJPSLJSCCYCE-BFYDXBDKSA-N 1 0 315.373 1.910 20 5 DDBDRO [NH3+]CC[C@@H]1CCN(C(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC001122295796 858741568 /nfs/dbraw/zinc/74/15/68/858741568.db2.gz MZMGDMKGYBJHEV-UGFHNGPFSA-N 1 0 303.362 1.896 20 5 DDBDRO COCC[C@@H]1C[NH2+]CCN1C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC001122311410 858747199 /nfs/dbraw/zinc/74/71/99/858747199.db2.gz AMFOGAVTODIWLG-IJVDHGTGSA-N 1 0 319.361 1.445 20 5 DDBDRO COC[C@@H]1C[NH2+]CCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC001122417936 858801149 /nfs/dbraw/zinc/80/11/49/858801149.db2.gz AGFKZYWIJINONS-LBPRGKRZSA-N 1 0 313.741 1.309 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)OC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC001123028251 859062755 /nfs/dbraw/zinc/06/27/55/859062755.db2.gz AOJZUVSNBSDBCF-NSHDSACASA-N 1 0 310.354 1.516 20 5 DDBDRO CC1(C)CCN(C(=O)c2ccc([N+](=O)[O-])cn2)CC(C)(C)[NH2+]1 ZINC001124023685 859532267 /nfs/dbraw/zinc/53/22/67/859532267.db2.gz UTRLXHLXWMLPAQ-UHFFFAOYSA-N 1 0 306.366 1.983 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCCNC(=O)CC1CCCC1 ZINC001154264694 860931965 /nfs/dbraw/zinc/93/19/65/860931965.db2.gz NANQWIHVSVCEKX-UHFFFAOYSA-N 1 0 323.397 1.505 20 5 DDBDRO COC(=O)c1ccnc(N2CC[C@H]([N@H+](C)C(C)C)C2)c1[N+](=O)[O-] ZINC001157018896 863520312 /nfs/dbraw/zinc/52/03/12/863520312.db2.gz APYDWWUYXFVQCO-NSHDSACASA-N 1 0 322.365 1.695 20 5 DDBDRO CCOC(=O)CN(CCC[NH3+])c1cc(Cl)cc([N+](=O)[O-])n1 ZINC001157548987 863912689 /nfs/dbraw/zinc/91/26/89/863912689.db2.gz MHHJZEHVTPUJSN-UHFFFAOYSA-N 1 0 316.745 1.362 20 5 DDBDRO O=C(NCCC[NH2+]Cc1ccc2cc[nH]c2c1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157766919 864115580 /nfs/dbraw/zinc/11/55/80/864115580.db2.gz BRFNLJJAVJWXRA-UKRRQHHQSA-N 1 0 316.361 1.429 20 5 DDBDRO O=C(NCCC[NH2+]Cc1cccc(Cl)c1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157767850 864118927 /nfs/dbraw/zinc/11/89/27/864118927.db2.gz XUXKIOYBKZWXHU-CHWSQXEVSA-N 1 0 311.769 1.601 20 5 DDBDRO CN(C)/C=C/c1cc(N2CC[C@@](F)(C[NH3+])C2)ncc1[N+](=O)[O-] ZINC001157816760 864168085 /nfs/dbraw/zinc/16/80/85/864168085.db2.gz GJGFHTSFZOAYNB-LYKUJDHUSA-N 1 0 309.345 1.399 20 5 DDBDRO [NH3+]Cc1cccc(-c2nnn(-c3ncc(F)cc3[N+](=O)[O-])n2)c1 ZINC001158042611 864383464 /nfs/dbraw/zinc/38/34/64/864383464.db2.gz KRIQHWQKOPPSOI-UHFFFAOYSA-N 1 0 315.268 1.230 20 5 DDBDRO COc1cc2ncnc(N3C[C@H](C)[NH2+][C@@H](C)C3)c2cc1[N+](=O)[O-] ZINC001158177518 864472508 /nfs/dbraw/zinc/47/25/08/864472508.db2.gz UFQSSZBDXFDDNH-UWVGGRQHSA-N 1 0 317.349 1.733 20 5 DDBDRO [NH3+]Cc1cnnn1C(F)(F)c1cc([N+](=O)[O-])cnc1Cl ZINC001158420690 864642780 /nfs/dbraw/zinc/64/27/80/864642780.db2.gz WJGNSLJTNRNOST-UHFFFAOYSA-N 1 0 304.644 1.291 20 5 DDBDRO Cc1c(CC[NH3+])c(=O)[nH]n1-c1nccc2ccc([N+](=O)[O-])cc21 ZINC001159299895 865210495 /nfs/dbraw/zinc/21/04/95/865210495.db2.gz FPEGHLAOTMPUGT-UHFFFAOYSA-N 1 0 313.317 1.844 20 5 DDBDRO Cc1cc(Cl)nc(N[C@@H](C)[C@H]2C[NH2+]CCO2)c1[N+](=O)[O-] ZINC001159499697 865355510 /nfs/dbraw/zinc/35/55/10/865355510.db2.gz UYPMPPVSLOVATO-DTWKUNHWSA-N 1 0 300.746 1.740 20 5 DDBDRO [NH3+]Cc1ccc2cn(-c3ncc([N+](=O)[O-])cc3[N+](=O)[O-])nc2c1 ZINC001160140585 865695221 /nfs/dbraw/zinc/69/52/21/865695221.db2.gz HXFMHDIZQFTVLH-UHFFFAOYSA-N 1 0 314.261 1.696 20 5 DDBDRO Cc1nc(Cl)nc(NCCN2CCC([NH3+])CC2)c1[N+](=O)[O-] ZINC001161867683 867047084 /nfs/dbraw/zinc/04/70/84/867047084.db2.gz WCDUQAZARZMPRA-UHFFFAOYSA-N 1 0 314.777 1.182 20 5 DDBDRO COC(=O)[C@@H]1CCC[C@H]1[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC001320973528 867169654 /nfs/dbraw/zinc/16/96/54/867169654.db2.gz TXKQWJNEOBHYBI-ZIAGYGMSSA-N 1 0 308.334 1.905 20 5 DDBDRO COC(=O)Cc1ccc(N[C@H]2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC001162403126 867515685 /nfs/dbraw/zinc/51/56/85/867515685.db2.gz YFBUMZCNXJDCNF-NEPJUHHUSA-N 1 0 307.350 1.992 20 5 DDBDRO O=[N+]([O-])c1cc[n+]([O-])cc1NCC[C@H]1C[NH2+]Cc2cccn2C1 ZINC001163061025 868045378 /nfs/dbraw/zinc/04/53/78/868045378.db2.gz QXUVRIRNJNWCHQ-LBPRGKRZSA-N 1 0 317.349 1.251 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(NCC[C@H]2CCOC23C[NH2+]C3)n1 ZINC001163082734 868069408 /nfs/dbraw/zinc/06/94/08/868069408.db2.gz SCKWOKIMGKETMQ-JTQLQIEISA-N 1 0 308.338 1.179 20 5 DDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCC[NH+]1CC=CC1 ZINC001322270481 868089370 /nfs/dbraw/zinc/08/93/70/868089370.db2.gz XFUIKEAYHDLURT-UHFFFAOYSA-N 1 0 309.753 1.779 20 5 DDBDRO COc1cccc(NC[C@H]2OC[C@H]3C[NH2+]CC[C@H]32)c1[N+](=O)[O-] ZINC001163173199 868188830 /nfs/dbraw/zinc/18/88/30/868188830.db2.gz YCMQQPMKNFHRIE-JTNHKYCSSA-N 1 0 307.350 1.640 20 5 DDBDRO O=[N+]([O-])c1cccc2cnc(NC[C@@]34C[NH2+][C@@H](CO3)C4)nc21 ZINC001163197086 868205981 /nfs/dbraw/zinc/20/59/81/868205981.db2.gz OAJBHKALJXLDCX-QMTHXVAHSA-N 1 0 301.306 1.081 20 5 DDBDRO Cc1cc(Cl)c(N[C@]23CC[NH2+][C@@H]2CC(=O)N3)c([N+](=O)[O-])c1 ZINC001163253154 868262740 /nfs/dbraw/zinc/26/27/40/868262740.db2.gz CWURMNUPGHHEII-ZWNOBZJWSA-N 1 0 310.741 1.547 20 5 DDBDRO O=C1C[C@H]2[NH2+]CC[C@]2(Nc2ccnc3c2cccc3[N+](=O)[O-])N1 ZINC001163254963 868264638 /nfs/dbraw/zinc/26/46/38/868264638.db2.gz VZIHDMHNMGRQLX-DOMZBBRYSA-N 1 0 313.317 1.133 20 5 DDBDRO C[NH2+]CCN(C)c1nc(C(F)(F)F)nc(Cl)c1[N+](=O)[O-] ZINC001163722634 868655392 /nfs/dbraw/zinc/65/53/92/868655392.db2.gz UJQKTAMFDCWMOC-UHFFFAOYSA-N 1 0 313.667 1.713 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])c(N[C@H](C)C[NH+](C)C)cc1OC ZINC001163782075 868699781 /nfs/dbraw/zinc/69/97/81/868699781.db2.gz AYJMIKTXONXGOD-SECBINFHSA-N 1 0 311.338 1.752 20 5 DDBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N[C@@H]1C[NH+]2CCC1CC2 ZINC001336078523 868718732 /nfs/dbraw/zinc/71/87/32/868718732.db2.gz DNQFYFCMRBPJKN-CYBMUJFWSA-N 1 0 319.361 1.574 20 5 DDBDRO C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@H]2Oc1ccc([N+](=O)[O-])cc1C(N)=O ZINC001226173992 882251707 /nfs/dbraw/zinc/25/17/07/882251707.db2.gz VTTMPCGUKWSSCR-HBYGRHMLSA-N 1 0 319.361 1.803 20 5 DDBDRO O=[N+]([O-])c1c2cccnc2ccc1N1CC([NH2+][C@H]2CCOC2)C1 ZINC001164234777 869043977 /nfs/dbraw/zinc/04/39/77/869043977.db2.gz VIFODLWXKBEMNB-NSHDSACASA-N 1 0 314.345 1.710 20 5 DDBDRO C[NH+](C)CCC[C@H]1CN(c2cc(N)c([N+](=O)[O-])cn2)CCO1 ZINC001336678884 869089475 /nfs/dbraw/zinc/08/94/75/869089475.db2.gz GWUCROAVJITNFE-NSHDSACASA-N 1 0 309.370 1.119 20 5 DDBDRO COc1c(O)ccc(C[N@@H+]2CC[C@](O)(C3CC3)C2)c1[N+](=O)[O-] ZINC001336797187 869148748 /nfs/dbraw/zinc/14/87/48/869148748.db2.gz KBQVQJMIRGZCGM-OAHLLOKOSA-N 1 0 308.334 1.656 20 5 DDBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N[C@H]1C[NH+]2CCC1CC2 ZINC001337358916 869450387 /nfs/dbraw/zinc/45/03/87/869450387.db2.gz WDAFKLMDKUAADG-HNNXBMFYSA-N 1 0 303.362 1.738 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)n1 ZINC001165293340 869502229 /nfs/dbraw/zinc/50/22/29/869502229.db2.gz VKKSQWYTPGIEQU-CHWSQXEVSA-N 1 0 306.366 1.421 20 5 DDBDRO [NH3+]C1([C@@H]2CN(c3nc(Cl)ncc3[N+](=O)[O-])C[C@H]2CF)CC1 ZINC001165426373 869589942 /nfs/dbraw/zinc/58/99/42/869589942.db2.gz BSRZKHMECLDGLX-HTQZYQBOSA-N 1 0 315.736 1.551 20 5 DDBDRO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)COc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC001337836248 869651021 /nfs/dbraw/zinc/65/10/21/869651021.db2.gz OTYUDNUGSJGCBD-TUKIKUTGSA-N 1 0 319.361 1.430 20 5 DDBDRO COC(C)(C)[C@H]1CCCN1c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001166792981 870251527 /nfs/dbraw/zinc/25/15/27/870251527.db2.gz XNOWEGKEWHXFHZ-GFCCVEGCSA-N 1 0 321.381 1.465 20 5 DDBDRO COC(=O)[C@@H]1C[C@@H]([NH3+])CN1c1nc(C)cc(Cl)c1[N+](=O)[O-] ZINC001166964010 870427953 /nfs/dbraw/zinc/42/79/53/870427953.db2.gz UZOZSHAANMAMNO-APPZFPTMSA-N 1 0 314.729 1.031 20 5 DDBDRO C[N@@H+]1C[C@@H]2CC[C@H](Nc3ccc([N+](=O)[O-])c4nonc43)[C@H]2C1 ZINC001339997590 870829415 /nfs/dbraw/zinc/82/94/15/870829415.db2.gz DRMXPZKIRXRUST-GUBZILKMSA-N 1 0 303.322 1.883 20 5 DDBDRO CCn1c(CCC[N+](=O)[O-])nnc1N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC001340021303 870846744 /nfs/dbraw/zinc/84/67/44/870846744.db2.gz RTJBFQCCISPCDV-STQMWFEESA-N 1 0 322.413 1.038 20 5 DDBDRO CCc1ccccc1CC[N@H+](C)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001317448066 870853547 /nfs/dbraw/zinc/85/35/47/870853547.db2.gz MVWTVYXLACYSKI-HZPDHXFCSA-N 1 0 319.405 1.505 20 5 DDBDRO COC(=O)c1cnc(NC[C@H]2C[NH+]3CCC2CC3)c([N+](=O)[O-])c1 ZINC001307230343 871412710 /nfs/dbraw/zinc/41/27/10/871412710.db2.gz PODVYDNZMYBJDC-LBPRGKRZSA-N 1 0 320.349 1.530 20 5 DDBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3C[C@@H](O)[C@@H](O)C3)o2)cc1 ZINC001308523646 871505512 /nfs/dbraw/zinc/50/55/12/871505512.db2.gz QPIAEYYPJZKQOV-UWEBFBLFSA-N 1 0 318.329 1.829 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCC[C@H]1CSCC[NH2+]1 ZINC001342009494 871949459 /nfs/dbraw/zinc/94/94/59/871949459.db2.gz VSXJPZATDAPDOX-NSHDSACASA-N 1 0 309.391 1.728 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)OCc1cccc2cccnc21 ZINC001206399149 872283342 /nfs/dbraw/zinc/28/33/42/872283342.db2.gz OCENFRTUYPQUOZ-OAHLLOKOSA-N 1 0 303.382 1.735 20 5 DDBDRO [NH3+][C@@H]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC001342845496 872409633 /nfs/dbraw/zinc/40/96/33/872409633.db2.gz ZSDTUBDIESPQMK-MMMKDXCPSA-N 1 0 303.362 1.942 20 5 DDBDRO O=C(CCc1cc(F)ccc1[N+](=O)[O-])NCC12CC(C1)C[NH2+]2 ZINC001344059709 872847047 /nfs/dbraw/zinc/84/70/47/872847047.db2.gz ZODJAZNNTOHTPD-UHFFFAOYSA-N 1 0 307.325 1.535 20 5 DDBDRO COc1ccc(CC(=O)N[C@H]2C[NH2+]CC2(C)C)cc1[N+](=O)[O-] ZINC001345382263 873382841 /nfs/dbraw/zinc/38/28/41/873382841.db2.gz UXLGJQYGECGYMS-ZDUSSCGKSA-N 1 0 307.350 1.260 20 5 DDBDRO CN(C)[C@H](C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC001346110395 873615338 /nfs/dbraw/zinc/61/53/38/873615338.db2.gz QEHOPXXTONJUGB-UKRRQHHQSA-N 1 0 323.393 1.264 20 5 DDBDRO C[NH+](C)CCCS(=O)(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001348564481 874636634 /nfs/dbraw/zinc/63/66/34/874636634.db2.gz ZSDVLNUDILTPEC-UHFFFAOYSA-N 1 0 313.379 1.192 20 5 DDBDRO COC(=O)c1cccc([N+](=O)[O-])c1OCC[N@H+]1CC[C@@H](OC)C1 ZINC001227124263 882857282 /nfs/dbraw/zinc/85/72/82/882857282.db2.gz LPRKDIHCWYTWHN-LLVKDONJSA-N 1 0 324.333 1.481 20 5 DDBDRO Nc1ncc(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC001300131224 876971052 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321.352 1.734 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1nccc2cccc(F)c21 ZINC001228733230 883646811 /nfs/dbraw/zinc/64/68/11/883646811.db2.gz KISPQCQWNSGODY-GFCCVEGCSA-N 1 0 307.345 1.737 20 5 DDBDRO O=[N+]([O-])c1c[n+]([O-])ccc1O[C@H]1CC[C@H]([NH+]2CCOCC2)CC1 ZINC001229451119 883988701 /nfs/dbraw/zinc/98/87/01/883988701.db2.gz COZYDNLLAFOJPI-JOCQHMNTSA-N 1 0 323.349 1.250 20 5 DDBDRO CO[C@@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])c(F)c2F)C1 ZINC001233768028 887304495 /nfs/dbraw/zinc/30/44/95/887304495.db2.gz BLTIJHJTHFTSKH-SECBINFHSA-N 1 0 302.277 1.973 20 5 DDBDRO O=C1CCNC[C@@H]1[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001246297303 892523281 /nfs/dbraw/zinc/52/32/81/892523281.db2.gz YZHHXQSTXOOHKA-ZFWWWQNUSA-N 1 0 303.362 1.363 20 5 DDBDRO O=c1[nH][nH]cc1CCC[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254573334 896507874 /nfs/dbraw/zinc/50/78/74/896507874.db2.gz XYVDBFLKCMEKNX-AAEUAGOBSA-N 1 0 302.334 1.164 20 5 DDBDRO Cc1cc(N(C(N)=[NH2+])[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)n[nH]1 ZINC001254601094 896525604 /nfs/dbraw/zinc/52/56/04/896525604.db2.gz ZEHYKWMLENUYIY-LBPRGKRZSA-N 1 0 300.322 1.494 20 5 DDBDRO COC(=O)CO[C@H]1CC[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254609954 896530413 /nfs/dbraw/zinc/53/04/13/896530413.db2.gz GRMZEZKUBIZNCB-CABCVRRESA-N 1 0 320.345 1.326 20 5 DDBDRO C[NH2+]CCN(C(=O)NCCc1ccccc1[N+](=O)[O-])C(C)C ZINC001262575102 900256981 /nfs/dbraw/zinc/25/69/81/900256981.db2.gz HSMCFLVVLPHBNT-UHFFFAOYSA-N 1 0 308.382 1.777 20 5 DDBDRO [NH3+]C1(CNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC1 ZINC001263234710 900544153 /nfs/dbraw/zinc/54/41/53/900544153.db2.gz IWXCJIBDEYDYJC-UHFFFAOYSA-N 1 0 301.705 1.537 20 5 DDBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000076694511 185032198 /nfs/dbraw/zinc/03/21/98/185032198.db2.gz NMMGDSQLJVCJNX-GFCCVEGCSA-N 1 0 306.366 1.733 20 5 DDBDRO [NH3+]CC[C@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000449718437 230637504 /nfs/dbraw/zinc/63/75/04/230637504.db2.gz JONZIRSYGLKOGT-JTQLQIEISA-N 1 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C[NH+](C)CC1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000324079340 231220650 /nfs/dbraw/zinc/22/06/50/231220650.db2.gz LACYAPYTSPPKJM-UHFFFAOYSA-N 1 0 324.356 1.730 20 5 DDBDRO CN(C(=O)C[NH2+][C@H]1COCC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000451808055 231198924 /nfs/dbraw/zinc/19/89/24/231198924.db2.gz IFQPWVBRKRURAV-ZDUSSCGKSA-N 1 0 307.350 1.572 20 5 DDBDRO CC(C)CCO[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090552033 185302991 /nfs/dbraw/zinc/30/29/91/185302991.db2.gz YHZHVMCFDPVFSO-OAHLLOKOSA-N 1 0 323.393 1.894 20 5 DDBDRO C[NH+](C)C[C@@](C)(O)CNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000255380503 282253304 /nfs/dbraw/zinc/25/33/04/282253304.db2.gz UDIJOUIMVYSALH-AJHXJQRKSA-N 1 0 307.350 1.037 20 5 DDBDRO C[NH+]1CCN(CCNc2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000298155938 529772343 /nfs/dbraw/zinc/77/23/43/529772343.db2.gz LJLVCTWBZWYORT-UHFFFAOYSA-N 1 0 315.377 1.802 20 5 DDBDRO C[N@@H+]1CC[C@]2(CCN(C(=O)Cc3ccccc3[N+](=O)[O-])C2)C1 ZINC000292406063 529811012 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DDBDRO C[NH2+]C[C@@H]1CCN([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000430932427 529992975 /nfs/dbraw/zinc/99/29/75/529992975.db2.gz GMXMCQJDPABRRH-NEPJUHHUSA-N 1 0 306.366 1.463 20 5 DDBDRO C[NH2+]C[C@H]1CCN(C(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)C1 ZINC000422803442 530004988 /nfs/dbraw/zinc/00/49/88/530004988.db2.gz FYUPJOKLNMGVGE-LLVKDONJSA-N 1 0 307.350 1.593 20 5 DDBDRO COC[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000181702081 199340842 /nfs/dbraw/zinc/34/08/42/199340842.db2.gz CDSIFFBCRVJEST-HUUCEWRRSA-N 1 0 320.349 1.130 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000277401447 213497015 /nfs/dbraw/zinc/49/70/15/213497015.db2.gz GZEQCWVCSKVQFP-NSHDSACASA-N 1 0 307.350 1.627 20 5 DDBDRO C[C@@H]([NH2+]CC(=O)NCC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000173331987 186177408 /nfs/dbraw/zinc/17/74/08/186177408.db2.gz UPUCTEZRQHXTNK-MRVPVSSYSA-N 1 0 305.256 1.924 20 5 DDBDRO CCc1n[nH]c(C(=O)NCCC[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000171944627 198012196 /nfs/dbraw/zinc/01/21/96/198012196.db2.gz SKQHSPCPOWPQBQ-UHFFFAOYSA-N 1 0 309.370 1.486 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C[NH+](C)C)C2)c1 ZINC000172209091 198058830 /nfs/dbraw/zinc/05/88/30/198058830.db2.gz GTTROJMMXILVRQ-NSHDSACASA-N 1 0 307.350 1.627 20 5 DDBDRO C[C@H]1C[C@@H]1C[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000488408850 233875043 /nfs/dbraw/zinc/87/50/43/233875043.db2.gz FYCBACAEWRSQJU-WDEREUQCSA-N 1 0 313.379 1.119 20 5 DDBDRO C[C@H]1C[NH+](CCCNC(=O)c2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000036830943 352296992 /nfs/dbraw/zinc/29/69/92/352296992.db2.gz ZLLXNAPIDRQLBT-STQMWFEESA-N 1 0 321.377 1.824 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000046996644 352475848 /nfs/dbraw/zinc/47/58/48/352475848.db2.gz MJJUUVWLZXSUKG-ZIAGYGMSSA-N 1 0 319.361 1.960 20 5 DDBDRO O=C(c1ccc([N+](=O)[O-])o1)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000047633011 352505629 /nfs/dbraw/zinc/50/56/29/352505629.db2.gz NBJFFDBPROBEAA-GFCCVEGCSA-N 1 0 323.349 1.515 20 5 DDBDRO C[N@@H+]1CCC[C@@H](NC(=O)NCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000052519051 352613155 /nfs/dbraw/zinc/61/31/55/352613155.db2.gz WMYVTTSXKJSPTE-CYBMUJFWSA-N 1 0 321.381 1.400 20 5 DDBDRO C[N@H+](CCNC(=O)Cn1ccc([N+](=O)[O-])n1)Cc1ccccc1 ZINC000054264782 352685256 /nfs/dbraw/zinc/68/52/56/352685256.db2.gz JTVBQZHAZITPJE-UHFFFAOYSA-N 1 0 317.349 1.040 20 5 DDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N1CC[NH+](CC2CC2)CC1 ZINC000173150859 198189257 /nfs/dbraw/zinc/18/92/57/198189257.db2.gz OJSDILVPAOWHQT-UHFFFAOYSA-N 1 0 303.362 1.692 20 5 DDBDRO C[C@@H](CNc1nc2sccn2c1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000057838039 352830705 /nfs/dbraw/zinc/83/07/05/352830705.db2.gz YYVYZCQCJANUDF-JTQLQIEISA-N 1 0 324.410 1.352 20 5 DDBDRO CC[N@@H+]1CCC[C@H](CNC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000063852918 352927481 /nfs/dbraw/zinc/92/74/81/352927481.db2.gz UTAAEWABFIKOIN-CYBMUJFWSA-N 1 0 321.377 1.822 20 5 DDBDRO COc1cc(C(=O)NCC[N@H+](C)C2CC2)c([N+](=O)[O-])cc1OC ZINC000066924574 353025679 /nfs/dbraw/zinc/02/56/79/353025679.db2.gz CFWLUGLLBHWKCQ-UHFFFAOYSA-N 1 0 323.349 1.436 20 5 DDBDRO C[N@H+](CCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C1CC1 ZINC000066924584 353026099 /nfs/dbraw/zinc/02/60/99/353026099.db2.gz QVCPADCKOFYGBS-UHFFFAOYSA-N 1 0 308.294 1.327 20 5 DDBDRO C[C@@H]1CCC[N@H+](CCNC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000067292729 353043102 /nfs/dbraw/zinc/04/31/02/353043102.db2.gz RVHYUOHTBHMKPO-GFCCVEGCSA-N 1 0 309.370 1.030 20 5 DDBDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000069530436 353165886 /nfs/dbraw/zinc/16/58/86/353165886.db2.gz MFNWOOPFSQZOLW-CQSZACIVSA-N 1 0 321.377 1.744 20 5 DDBDRO O=C1C[C@@]2(CN1)CCC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C2 ZINC000072833170 353220564 /nfs/dbraw/zinc/22/05/64/353220564.db2.gz SFOQKXYOGOBYLU-MRXNPFEDSA-N 1 0 303.362 1.739 20 5 DDBDRO COC(=O)CC[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000182085321 199384650 /nfs/dbraw/zinc/38/46/50/199384650.db2.gz WUNAAGJWRUSRMS-ZDUSSCGKSA-N 1 0 321.377 1.664 20 5 DDBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000073900369 353277497 /nfs/dbraw/zinc/27/74/97/353277497.db2.gz ZKTKQJIKKXSIKF-AWEZNQCLSA-N 1 0 306.366 1.878 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H](CO)C1 ZINC000174709339 198373461 /nfs/dbraw/zinc/37/34/61/198373461.db2.gz YWOKRBUYPRRXHM-LLVKDONJSA-N 1 0 323.349 1.246 20 5 DDBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)CN2CCCC2=O)cc1[N+](=O)[O-] ZINC000089514843 353774489 /nfs/dbraw/zinc/77/44/89/353774489.db2.gz RNHIHAXAYDNYNE-GXTWGEPZSA-N 1 0 321.377 1.537 20 5 DDBDRO C[C@]1(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCCS1 ZINC000122225455 354024934 /nfs/dbraw/zinc/02/49/34/354024934.db2.gz IKAOQVIBBZFOIT-NWDGAFQWSA-N 1 0 300.384 1.028 20 5 DDBDRO C[C@H](CC[NH3+])NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000357223401 291019649 /nfs/dbraw/zinc/01/96/49/291019649.db2.gz JEBFETKWSQIBIO-SNVBAGLBSA-N 1 0 303.322 1.248 20 5 DDBDRO Cc1nn(CC(=O)NC2CC[NH+](C(C)C)CC2)c(C)c1[N+](=O)[O-] ZINC000198233869 354300993 /nfs/dbraw/zinc/30/09/93/354300993.db2.gz SOLWVKFTRZDJEV-UHFFFAOYSA-N 1 0 323.397 1.397 20 5 DDBDRO CC[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CCCO1 ZINC000248623539 354369722 /nfs/dbraw/zinc/36/97/22/354369722.db2.gz UFRXLSMVXMZHOZ-VNQPRFMTSA-N 1 0 324.377 1.882 20 5 DDBDRO CN1CC[C@@H]([N@H+](C)CCCOc2ccc([N+](=O)[O-])cc2)C1=O ZINC000265667625 354400953 /nfs/dbraw/zinc/40/09/53/354400953.db2.gz WBFYLAZXXKBNGD-CQSZACIVSA-N 1 0 307.350 1.526 20 5 DDBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)C[C@H](O)C1CC1 ZINC000305729953 354471220 /nfs/dbraw/zinc/47/12/20/354471220.db2.gz KFAPPIXVFAAEFK-HZMBPMFUSA-N 1 0 307.350 1.625 20 5 DDBDRO C[C@H]1C[C@@H](Nc2cc(N)c([N+](=O)[O-])c(CO)c2)C[N@@H+]1C1CC1 ZINC000589584119 355002346 /nfs/dbraw/zinc/00/23/46/355002346.db2.gz GCANXYHTCVQIKG-JOYOIKCWSA-N 1 0 306.366 1.706 20 5 DDBDRO CN(C(=O)CN1CC[C@H]2C[N@H+](C)C[C@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000590012326 355040502 /nfs/dbraw/zinc/04/05/02/355040502.db2.gz QWZXLAMFDMQCFV-SWLSCSKDSA-N 1 0 318.377 1.194 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)N2CC[C@H]([NH+](C)C)[C@@H]2C)c1[N+](=O)[O-] ZINC000590403650 355085627 /nfs/dbraw/zinc/08/56/27/355085627.db2.gz LLZRDAJUGYRHRW-UWVGGRQHSA-N 1 0 309.370 1.606 20 5 DDBDRO CN(C)C(=O)C1([NH2+]CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000591046335 355237946 /nfs/dbraw/zinc/23/79/46/355237946.db2.gz JXBWYMKMXORJKQ-UHFFFAOYSA-N 1 0 307.350 1.574 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2C[C@H](C)C[C@H](CO)C2)c1 ZINC000591505239 355322076 /nfs/dbraw/zinc/32/20/76/355322076.db2.gz TUHUIZSJGQFRAO-NEPJUHHUSA-N 1 0 322.361 1.832 20 5 DDBDRO CO[C@@H]([C@@H](C)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000591770597 355382022 /nfs/dbraw/zinc/38/20/22/355382022.db2.gz QFPJFPXKOHLTEX-XFJVYGCCSA-N 1 0 324.377 1.738 20 5 DDBDRO CN(C(=O)CN1CCCCC[C@H]([NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC000601324113 358496675 /nfs/dbraw/zinc/49/66/75/358496675.db2.gz IVUOFPXHCODXGJ-ZDUSSCGKSA-N 1 0 320.393 1.761 20 5 DDBDRO CC[C@@H]1CN(C(=O)c2cccc(OC)c2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000592331320 355561119 /nfs/dbraw/zinc/56/11/19/355561119.db2.gz IEXYUHHPMWAAQH-PWSUYJOCSA-N 1 0 307.350 1.803 20 5 DDBDRO CC[C@@H]1CN(C(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000592331867 355561138 /nfs/dbraw/zinc/56/11/38/355561138.db2.gz BHRRRGRLYRFQTM-CHWSQXEVSA-N 1 0 321.377 1.732 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1cccc(C[NH3+])c1 ZINC000592284900 355552223 /nfs/dbraw/zinc/55/22/23/355552223.db2.gz FTAWJUMIXPYFRZ-UHFFFAOYSA-N 1 0 303.322 1.587 20 5 DDBDRO COC(=O)c1cc(C(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000592296645 355554035 /nfs/dbraw/zinc/55/40/35/355554035.db2.gz FGNRGZSDXZIGAH-TVQRCGJNSA-N 1 0 321.333 1.191 20 5 DDBDRO Cc1c(CC(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)cccc1[N+](=O)[O-] ZINC000592308979 355556086 /nfs/dbraw/zinc/55/60/86/355556086.db2.gz PMJGWBRAORJMAS-BXUZGUMPSA-N 1 0 307.350 1.020 20 5 DDBDRO COc1ccc(CC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000592330776 355560415 /nfs/dbraw/zinc/56/04/15/355560415.db2.gz DMGFFXQDKLPYPX-VXGBXAGGSA-N 1 0 307.350 1.532 20 5 DDBDRO O=C(NC[C@@H]1CCCC[NH2+]1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000592439845 355584432 /nfs/dbraw/zinc/58/44/32/355584432.db2.gz GLXRCFCIJSUAOQ-NSHDSACASA-N 1 0 302.334 1.948 20 5 DDBDRO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592555263 355627296 /nfs/dbraw/zinc/62/72/96/355627296.db2.gz SSNSHZXMNXQEEY-RYUDHWBXSA-N 1 0 306.366 1.775 20 5 DDBDRO O=C(Cc1ccc(F)cc1[N+](=O)[O-])NCCC[NH+]1CCCC1 ZINC000593015662 355770588 /nfs/dbraw/zinc/77/05/88/355770588.db2.gz WKXOCYZDUZCZKF-UHFFFAOYSA-N 1 0 309.341 1.879 20 5 DDBDRO C[C@H](O)C[NH+]1CCN(c2ccnc3cc([N+](=O)[O-])ccc32)CC1 ZINC000593462676 355893508 /nfs/dbraw/zinc/89/35/08/355893508.db2.gz YPOPSIQSWABIBT-LBPRGKRZSA-N 1 0 316.361 1.646 20 5 DDBDRO CCO[C@@H]1CN(CCOc2cccc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000593737024 355981970 /nfs/dbraw/zinc/98/19/70/355981970.db2.gz JMHFRRXSTBTMRX-IUODEOHRSA-N 1 0 309.366 1.269 20 5 DDBDRO O=C(NCCNc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000593902266 356049094 /nfs/dbraw/zinc/04/90/94/356049094.db2.gz RQHIFBLLXOJWAP-CABCVRRESA-N 1 0 318.377 1.654 20 5 DDBDRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 ZINC000593911221 356055133 /nfs/dbraw/zinc/05/51/33/356055133.db2.gz FZBRLNLJIJWSSF-NQBHXWOUSA-N 1 0 322.365 1.281 20 5 DDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000593913185 356056667 /nfs/dbraw/zinc/05/66/67/356056667.db2.gz SDWQHZSDQYURCX-BONVTDFDSA-N 1 0 304.350 1.378 20 5 DDBDRO [NH3+]C[C@@H](NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)C(F)(F)F ZINC000594451006 356222041 /nfs/dbraw/zinc/22/20/41/356222041.db2.gz BADXGXNJNRDOAT-MRVPVSSYSA-N 1 0 317.227 1.091 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2[C@@H]3CC[C@H]2CC[N@@H+](C)C3)n1 ZINC000594360779 356183052 /nfs/dbraw/zinc/18/30/52/356183052.db2.gz WHNZBYVKPVZMHC-WDEREUQCSA-N 1 0 307.354 1.120 20 5 DDBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1CCC(=O)N1 ZINC000595089358 356381409 /nfs/dbraw/zinc/38/14/09/356381409.db2.gz HWVMUDAWRHEHIZ-JQWIXIFHSA-N 1 0 320.349 1.180 20 5 DDBDRO COc1ccc(NC(=O)NCC23CC(C2)C[NH2+]3)cc1[N+](=O)[O-] ZINC000595231420 356413223 /nfs/dbraw/zinc/41/32/23/356413223.db2.gz SSBNWXQEUIJJER-UHFFFAOYSA-N 1 0 306.322 1.477 20 5 DDBDRO C[NH2+]C[C@H](C)NC(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-] ZINC000595262059 356424771 /nfs/dbraw/zinc/42/47/71/356424771.db2.gz HTXRYUUQCOKMHO-LBPRGKRZSA-N 1 0 323.397 1.612 20 5 DDBDRO [NH3+]CC12CC(C1)CN2C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000595264769 356426194 /nfs/dbraw/zinc/42/61/94/356426194.db2.gz DNBCJCUGXDVHBB-UHFFFAOYSA-N 1 0 320.349 1.106 20 5 DDBDRO CC(C)[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)[C@H](O)C(F)(F)F ZINC000595483714 356512594 /nfs/dbraw/zinc/51/25/94/356512594.db2.gz VECAHSLBXSIMMD-UWVGGRQHSA-N 1 0 310.276 1.329 20 5 DDBDRO COc1ccc(CNC(=O)N(C)CC2C[NH+](C)C2)cc1[N+](=O)[O-] ZINC000595448709 356496362 /nfs/dbraw/zinc/49/63/62/356496362.db2.gz KHXSFQCPZUANOS-UHFFFAOYSA-N 1 0 322.365 1.306 20 5 DDBDRO C[N@@H+]1CC[C@]2(CCN(C(=O)c3c(N)cccc3[N+](=O)[O-])C2)C1 ZINC000294031671 283169633 /nfs/dbraw/zinc/16/96/33/283169633.db2.gz ZWHBSYHXYCVVBH-HNNXBMFYSA-N 1 0 304.350 1.345 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000595612963 356576947 /nfs/dbraw/zinc/57/69/47/356576947.db2.gz XUFAOXAQBSSEIG-GFCCVEGCSA-N 1 0 317.349 1.717 20 5 DDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@@H](C)C[NH3+] ZINC000236981840 202106505 /nfs/dbraw/zinc/10/65/05/202106505.db2.gz CRBBHILGZWYSNV-VIFPVBQESA-N 1 0 301.368 1.125 20 5 DDBDRO C[C@H](O)[C@H]1CCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000595771467 356645703 /nfs/dbraw/zinc/64/57/03/356645703.db2.gz PJEUYFDCULYJAL-CORIIIEPSA-N 1 0 310.350 1.180 20 5 DDBDRO C[C@@]12COC[C@H]1C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C2 ZINC000595759905 356640808 /nfs/dbraw/zinc/64/08/08/356640808.db2.gz QVYOBNCNFLYFCW-MLGOLLRUSA-N 1 0 319.361 1.892 20 5 DDBDRO O=C(CC[N@@H+]1CC[C@@H]2COC[C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000595826934 356665741 /nfs/dbraw/zinc/66/57/41/356665741.db2.gz BESAWYNBWBZWAS-OLZOCXBDSA-N 1 0 319.361 1.892 20 5 DDBDRO CN(C)C(=O)N(C)[C@@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000595825005 356666264 /nfs/dbraw/zinc/66/62/64/356666264.db2.gz BVEYSDXKDQTYKE-OAHLLOKOSA-N 1 0 320.393 1.825 20 5 DDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC2CC1(C[NH3+])C2 ZINC000595910410 356701612 /nfs/dbraw/zinc/70/16/12/356701612.db2.gz PQRSQMVEROGIQT-RWWNRMGGSA-N 1 0 304.350 1.345 20 5 DDBDRO C[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1nccn1C ZINC000596065646 356759362 /nfs/dbraw/zinc/75/93/62/356759362.db2.gz IMKDMBYZRBWYEY-AAEUAGOBSA-N 1 0 320.349 1.419 20 5 DDBDRO COC1CC[NH+](CCNc2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000596160395 356796862 /nfs/dbraw/zinc/79/68/62/356796862.db2.gz VBAJSDFRDVXCMC-UHFFFAOYSA-N 1 0 322.365 1.216 20 5 DDBDRO CN(C)CC[N@H+](C)CCCN(C)c1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596233227 356826247 /nfs/dbraw/zinc/82/62/47/356826247.db2.gz AYHJDRDGHBLSMS-UHFFFAOYSA-N 1 0 311.386 1.015 20 5 DDBDRO CCOc1cc(C[NH2+][C@H](C(N)=O)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000276905717 213165360 /nfs/dbraw/zinc/16/53/60/213165360.db2.gz MIHBFNKVJOGTAE-CYBMUJFWSA-N 1 0 309.366 1.983 20 5 DDBDRO C[NH+](C)CCC[C@@H]1CN(c2cc[nH]c(=O)c2[N+](=O)[O-])CCO1 ZINC000596565968 356919503 /nfs/dbraw/zinc/91/95/03/356919503.db2.gz JKRAUALKUMLCOA-LLVKDONJSA-N 1 0 310.354 1.242 20 5 DDBDRO COc1cc(C(=O)N[C@@H]2CCC[C@@H]2C[NH3+])c([N+](=O)[O-])cc1OC ZINC000237269012 202210502 /nfs/dbraw/zinc/21/05/02/202210502.db2.gz PFSZLIMWGMKMMP-MWLCHTKSSA-N 1 0 323.349 1.469 20 5 DDBDRO C[C@@]1(NC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[NH2+]C1 ZINC000597432136 357174075 /nfs/dbraw/zinc/17/40/75/357174075.db2.gz JBAIOUZKHLSDSE-CQSZACIVSA-N 1 0 318.337 1.022 20 5 DDBDRO COC(=O)c1ccnc(NC[C@H]2CC[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000598587287 357642080 /nfs/dbraw/zinc/64/20/80/357642080.db2.gz OECSGIXGODAUMP-SNVBAGLBSA-N 1 0 320.349 1.673 20 5 DDBDRO COC(=O)c1ccnc(N[C@@H]2CC[N@H+](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000598599463 357648747 /nfs/dbraw/zinc/64/87/47/357648747.db2.gz OIWMFSGPDNZREM-NXEZZACHSA-N 1 0 308.338 1.671 20 5 DDBDRO CNc1ccc(C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)cc1[N+](=O)[O-] ZINC000598669027 357678528 /nfs/dbraw/zinc/67/85/28/357678528.db2.gz GOSCEAMISQBDAO-ABAIWWIYSA-N 1 0 304.350 1.590 20 5 DDBDRO CCCc1n[nH]c(C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)c1[N+](=O)[O-] ZINC000598667431 357677371 /nfs/dbraw/zinc/67/73/71/357677371.db2.gz GPPVAZVBJXFPFM-XPTSAGLGSA-N 1 0 307.354 1.224 20 5 DDBDRO COc1c(C(=O)N2CC[NH2+][C@H](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000598571969 357636738 /nfs/dbraw/zinc/63/67/38/357636738.db2.gz ITRDOMWHZDOUQY-LBPRGKRZSA-N 1 0 307.350 1.673 20 5 DDBDRO CC(C)[C@@H]1CN(C(=O)CCNc2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000598577106 357639018 /nfs/dbraw/zinc/63/90/18/357639018.db2.gz VPHWVDNEALJXBQ-AWEZNQCLSA-N 1 0 320.393 1.853 20 5 DDBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)NCC[C@H]1CC[NH2+]C1 ZINC000178953397 198960005 /nfs/dbraw/zinc/96/00/05/198960005.db2.gz PICSMCJRAWGYNZ-CYBMUJFWSA-N 1 0 320.393 1.903 20 5 DDBDRO COC(=O)CC1CCC([NH2+]CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000599043609 357800830 /nfs/dbraw/zinc/80/08/30/357800830.db2.gz YRIRIVXRGYKNMI-UHFFFAOYSA-N 1 0 310.354 1.503 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H](O)[C@@H]1CCCO1 ZINC000598990199 357786018 /nfs/dbraw/zinc/78/60/18/357786018.db2.gz KEIIUBVFGNENQE-HIFRSBDPSA-N 1 0 310.350 1.623 20 5 DDBDRO COC(=O)c1cnc(NC[C@@H]2CCCC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC000599138081 357826700 /nfs/dbraw/zinc/82/67/00/357826700.db2.gz FSOLMDQOPIGUNJ-NSHDSACASA-N 1 0 322.365 1.920 20 5 DDBDRO CC(C)[N@@H+]1CCC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000347912966 283298089 /nfs/dbraw/zinc/29/80/89/283298089.db2.gz LTVHKPFURJYCIC-LLVKDONJSA-N 1 0 306.366 1.780 20 5 DDBDRO COC(=O)[C@]1(OC)CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000599562860 357975025 /nfs/dbraw/zinc/97/50/25/357975025.db2.gz IUINBVPKTOQQAR-HNNXBMFYSA-N 1 0 308.334 1.401 20 5 DDBDRO Cc1ccc(NC(=O)C(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)cc1[N+](=O)[O-] ZINC000599895458 358077018 /nfs/dbraw/zinc/07/70/18/358077018.db2.gz FYAMGLAIZOJSHB-CMPLNLGQSA-N 1 0 320.349 1.098 20 5 DDBDRO CN(C(=O)COc1ccc([N+](=O)[O-])cc1)[C@@H]1C[NH+]2CCC1CC2 ZINC000348002113 283327053 /nfs/dbraw/zinc/32/70/53/283327053.db2.gz SRKXINLPAJGNBK-OAHLLOKOSA-N 1 0 319.361 1.526 20 5 DDBDRO Cc1c(CNC(=O)NCC2([NH3+])CCOCC2)cccc1[N+](=O)[O-] ZINC000599918267 358080251 /nfs/dbraw/zinc/08/02/51/358080251.db2.gz NFXWPNIMLQDIFO-UHFFFAOYSA-N 1 0 322.365 1.210 20 5 DDBDRO C[NH2+]CCOCCNC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000599921530 358081778 /nfs/dbraw/zinc/08/17/78/358081778.db2.gz UBYRRPNLQUTBHK-LBPRGKRZSA-N 1 0 324.381 1.499 20 5 DDBDRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000599926444 358082878 /nfs/dbraw/zinc/08/28/78/358082878.db2.gz ZSYUAAHCBCREQM-UONOGXRCSA-N 1 0 322.365 1.413 20 5 DDBDRO C[C@H]1CC[C@H](NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)C[NH2+]1 ZINC000599932862 358084641 /nfs/dbraw/zinc/08/46/41/358084641.db2.gz CJHMKQWQKWEQEE-JSGCOSHPSA-N 1 0 320.393 1.919 20 5 DDBDRO CCN(C(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000599986729 358096597 /nfs/dbraw/zinc/09/65/97/358096597.db2.gz YPHAQINRQZUIIQ-UHFFFAOYSA-N 1 0 323.397 1.998 20 5 DDBDRO CNc1ccc(C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1[N+](=O)[O-] ZINC000565537362 304074710 /nfs/dbraw/zinc/07/47/10/304074710.db2.gz DSAUUKPVUXGESV-XQQFMLRXSA-N 1 0 318.377 1.836 20 5 DDBDRO O=[N+]([O-])c1ccc2[nH]c(CNC[C@@H](O)C[NH+]3CCCC3)nc2c1 ZINC000600734930 358301290 /nfs/dbraw/zinc/30/12/90/358301290.db2.gz RJPCAYKETVGEPU-GFCCVEGCSA-N 1 0 319.365 1.017 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)c1 ZINC000600756096 358309150 /nfs/dbraw/zinc/30/91/50/358309150.db2.gz MFDHSBNFFFKHTD-JGGQBBKZSA-N 1 0 322.361 1.492 20 5 DDBDRO CN1CC[C@@H]([NH+]2CCC(Nc3cccnc3[N+](=O)[O-])CC2)C1=O ZINC000601177244 358435778 /nfs/dbraw/zinc/43/57/78/358435778.db2.gz RVBXWNSULIKPHB-CYBMUJFWSA-N 1 0 319.365 1.097 20 5 DDBDRO Cc1cc(S(=O)(=O)NCC[C@@H](C)[NH+](C)C)c([N+](=O)[O-])s1 ZINC000601465803 358565452 /nfs/dbraw/zinc/56/54/52/358565452.db2.gz ZKHGISBGGHZNQH-MRVPVSSYSA-N 1 0 321.424 1.583 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000601557354 358599968 /nfs/dbraw/zinc/59/99/68/358599968.db2.gz OEDOFPLLUMYGJV-RISCZKNCSA-N 1 0 304.350 1.512 20 5 DDBDRO CC1([NH+]2CCCC2)CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000601739922 358673319 /nfs/dbraw/zinc/67/33/19/358673319.db2.gz SEKGMKQEODSYFX-UHFFFAOYSA-N 1 0 307.354 1.408 20 5 DDBDRO CNc1ccc(C(=O)N[C@H]2CC[NH2+]C23CCC3)cc1[N+](=O)[O-] ZINC000602526092 359026476 /nfs/dbraw/zinc/02/64/76/359026476.db2.gz KVSQFGFAYCISAD-ZDUSSCGKSA-N 1 0 304.350 1.651 20 5 DDBDRO C[C@H](C[NH2+]CCc1ccc([N+](=O)[O-])cc1)CN1CCOCC1 ZINC000602551226 359040499 /nfs/dbraw/zinc/04/04/99/359040499.db2.gz OJBYQVJADRZGCJ-CQSZACIVSA-N 1 0 307.394 1.695 20 5 DDBDRO COc1cc(C(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)cc([N+](=O)[O-])c1C ZINC000602557305 359043951 /nfs/dbraw/zinc/04/39/51/359043951.db2.gz ZDBRLUPGLGMBAS-SKDRFNHKSA-N 1 0 307.350 1.782 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@@H]3CCCO3)CC2)cn1 ZINC000602499656 359015268 /nfs/dbraw/zinc/01/52/68/359015268.db2.gz RTDKJKGTIRNMRL-AWEZNQCLSA-N 1 0 306.366 1.727 20 5 DDBDRO C[C@H]1COCC[C@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602635494 359089151 /nfs/dbraw/zinc/08/91/51/359089151.db2.gz ZCRQKNPELFSXKS-SWLSCSKDSA-N 1 0 320.393 1.973 20 5 DDBDRO C[C@H]1CC(C)(C)C[C@@](CO)([NH2+]Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602793214 359195306 /nfs/dbraw/zinc/19/53/06/359195306.db2.gz HXJNLILJEOHGSZ-NHYWBVRUSA-N 1 0 310.398 1.995 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@H]1C1CCOCC1 ZINC000602803120 359203481 /nfs/dbraw/zinc/20/34/81/359203481.db2.gz WKJOXMNGENVLCC-AWEZNQCLSA-N 1 0 308.382 1.991 20 5 DDBDRO CO[C@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)[C@](C)(CO)C1 ZINC000602965033 359329418 /nfs/dbraw/zinc/32/94/18/359329418.db2.gz YDDXYAJCFPXIQG-CABCVRRESA-N 1 0 310.350 1.445 20 5 DDBDRO [NH3+]CC[C@H](NC(=O)CCOc1ccccc1[N+](=O)[O-])C(F)F ZINC000449614036 283443570 /nfs/dbraw/zinc/44/35/70/283443570.db2.gz UIGXBJZHWRXDHF-VIFPVBQESA-N 1 0 317.292 1.462 20 5 DDBDRO C[C@@H]1COCC[N@@H+]1C1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000603400276 359616414 /nfs/dbraw/zinc/61/64/14/359616414.db2.gz FLKNNBQXFSXPKC-GFCCVEGCSA-N 1 0 306.366 1.679 20 5 DDBDRO CCOc1ccc(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000186862710 200023566 /nfs/dbraw/zinc/02/35/66/200023566.db2.gz HCBIZRHSYGVBTD-CMPLNLGQSA-N 1 0 307.350 1.721 20 5 DDBDRO CN(CCC[NH2+]Cc1csc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000604532184 359761707 /nfs/dbraw/zinc/76/17/07/359761707.db2.gz HHVLVSJLPPYQPE-UHFFFAOYSA-N 1 0 307.397 1.027 20 5 DDBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@@]1(CCO)CCOC1 ZINC000579375915 422759803 /nfs/dbraw/zinc/75/98/03/422759803.db2.gz BDIXKEUFSNVROA-GDBMZVCRSA-N 1 0 306.362 1.961 20 5 DDBDRO [NH3+]C[C@@H](NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)C1CC1 ZINC000237794201 202355354 /nfs/dbraw/zinc/35/53/54/202355354.db2.gz VQJILKVZOLRKDE-CYBMUJFWSA-N 1 0 304.350 1.636 20 5 DDBDRO CC[N@H+](CCO)CCNC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000188829761 200309215 /nfs/dbraw/zinc/30/92/15/200309215.db2.gz XSFJUPYQGXHRFY-UHFFFAOYSA-N 1 0 310.354 1.339 20 5 DDBDRO CC[N@H+](C)C[C@H]1CCN(c2nc(C(=O)OC)ccc2[N+](=O)[O-])C1 ZINC000281176141 216132313 /nfs/dbraw/zinc/13/23/13/216132313.db2.gz NAVZAMYOXSSOHO-LLVKDONJSA-N 1 0 322.365 1.554 20 5 DDBDRO C[N@@H+]1CCCC[C@@H]1CN1CCN(c2cccnc2[N+](=O)[O-])CC1 ZINC000609333881 360295473 /nfs/dbraw/zinc/29/54/73/360295473.db2.gz BVZDSVWGTMOUIQ-CQSZACIVSA-N 1 0 319.409 1.596 20 5 DDBDRO C[N@@H+]1CCC[C@H](N2CCN(c3ccsc3[N+](=O)[O-])CC2)C1 ZINC000609674474 360343127 /nfs/dbraw/zinc/34/31/27/360343127.db2.gz HBJMZBRFGZRJHO-LBPRGKRZSA-N 1 0 310.423 1.873 20 5 DDBDRO C[N@@H+]1CCC[C@@H](N2CCN(c3cccnc3[N+](=O)[O-])CC2)C1 ZINC000609675159 360344309 /nfs/dbraw/zinc/34/43/09/360344309.db2.gz ZVPIIDLMKINKNR-CYBMUJFWSA-N 1 0 305.382 1.206 20 5 DDBDRO CN(C(=O)C[N@H+](CCO)CC(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000609483441 360312652 /nfs/dbraw/zinc/31/26/52/360312652.db2.gz CMCRTVVGINBBHJ-UHFFFAOYSA-N 1 0 323.393 1.898 20 5 DDBDRO O=[N+]([O-])c1ncccc1N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000610489146 360449741 /nfs/dbraw/zinc/44/97/41/360449741.db2.gz HKTBIYKBDXYICG-ZDUSSCGKSA-N 1 0 306.366 1.681 20 5 DDBDRO Cc1ccnc(N2CCC[N@H+](C[C@H]3CCCO3)CC2)c1[N+](=O)[O-] ZINC000610489303 360450250 /nfs/dbraw/zinc/45/02/50/360450250.db2.gz ZPNJQYQRZLQPJQ-CQSZACIVSA-N 1 0 320.393 1.989 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)N[C@@H](C)C2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000610923821 360572504 /nfs/dbraw/zinc/57/25/04/360572504.db2.gz XYJSSKMLBHHVJS-JTQLQIEISA-N 1 0 323.397 1.901 20 5 DDBDRO O=C(Nc1ccncc1[N+](=O)[O-])N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000359028215 299311199 /nfs/dbraw/zinc/31/11/99/299311199.db2.gz PJPJJKMDNPUGDK-NEPJUHHUSA-N 1 0 305.338 1.160 20 5 DDBDRO Cc1cc(C)c(S(=O)(=O)NC[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000193256666 201014383 /nfs/dbraw/zinc/01/43/83/201014383.db2.gz AJDONJZSTIZLJX-LLVKDONJSA-N 1 0 313.379 1.242 20 5 DDBDRO C[C@H]1CC[NH2+]C[C@@H]1NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000193409951 201048132 /nfs/dbraw/zinc/04/81/32/201048132.db2.gz QVLMOLKPOYIYQT-GWCFXTLKSA-N 1 0 313.379 1.012 20 5 DDBDRO C[C@@H]1CCNC(=O)[C@@H]1[NH2+]CCCOc1ccc([N+](=O)[O-])cc1 ZINC000193655843 201096211 /nfs/dbraw/zinc/09/62/11/201096211.db2.gz XQKKLIKVKXFZAC-BXUZGUMPSA-N 1 0 307.350 1.478 20 5 DDBDRO C[NH2+][C@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C)C1 ZINC000053202806 283682041 /nfs/dbraw/zinc/68/20/41/283682041.db2.gz XFTHIOIIQLGUEV-NSHDSACASA-N 1 0 313.379 1.276 20 5 DDBDRO Cc1ccccc1C(C)(C)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000292880063 223289191 /nfs/dbraw/zinc/28/91/91/223289191.db2.gz BZZFSNWKYWGBSD-CQSZACIVSA-N 1 0 318.377 1.986 20 5 DDBDRO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CCn1ccccc1=O ZINC000619785403 364149729 /nfs/dbraw/zinc/14/97/29/364149729.db2.gz CVGADKBDDGXFCO-UHFFFAOYSA-N 1 0 301.346 1.931 20 5 DDBDRO CC(C)CN(CC[NH3+])c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000348889810 283746671 /nfs/dbraw/zinc/74/66/71/283746671.db2.gz DASUOFCRAMPECO-UHFFFAOYSA-N 1 0 315.395 1.419 20 5 DDBDRO CO[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000275183196 212180573 /nfs/dbraw/zinc/18/05/73/212180573.db2.gz DTWXXFHNZAQYET-VNQPRFMTSA-N 1 0 324.377 1.882 20 5 DDBDRO Cc1cc(S(=O)(=O)NC[C@H]([NH3+])C(C)C)ccc1[N+](=O)[O-] ZINC000440449105 229798956 /nfs/dbraw/zinc/79/89/56/229798956.db2.gz YTGAUGOUZJHEMR-NSHDSACASA-N 1 0 301.368 1.165 20 5 DDBDRO COC(=O)c1cc(NC(=O)C[C@@H]2CCC[C@H]2[NH3+])cc([N+](=O)[O-])c1 ZINC000261716965 203100644 /nfs/dbraw/zinc/10/06/44/203100644.db2.gz JSFIDEFHLOUWIE-TVQRCGJNSA-N 1 0 321.333 1.837 20 5 DDBDRO COCC1(CNC(=O)c2cc(C)cc([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000261895342 203145801 /nfs/dbraw/zinc/14/58/01/203145801.db2.gz OGLMUKUGJDNNKT-UHFFFAOYSA-N 1 0 321.377 1.649 20 5 DDBDRO Cc1n[nH]c(C(=O)N2CCC(CC[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000264909895 204262588 /nfs/dbraw/zinc/26/25/88/204262588.db2.gz NEAIUZHDFNPSKL-UHFFFAOYSA-N 1 0 309.370 1.430 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[NH+](C2CCC2)CC1 ZINC000265013412 204344887 /nfs/dbraw/zinc/34/48/87/204344887.db2.gz UYPNUJRPCPGJLY-UHFFFAOYSA-N 1 0 321.381 1.187 20 5 DDBDRO C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000351486020 284336441 /nfs/dbraw/zinc/33/64/41/284336441.db2.gz LTSBOBKVIUSAIH-DZGCQCFKSA-N 1 0 314.345 1.751 20 5 DDBDRO C[N@@H+]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)[C@@H](c2ccccc2)C1 ZINC000351486889 284337328 /nfs/dbraw/zinc/33/73/28/284337328.db2.gz YJPGXAFELDWRIB-TZMCWYRMSA-N 1 0 314.345 1.751 20 5 DDBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000351501959 284349153 /nfs/dbraw/zinc/34/91/53/284349153.db2.gz YLRDAZUDASIJTO-XQHKEYJVSA-N 1 0 318.377 1.591 20 5 DDBDRO C[C@@H](CO)[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CCCC1 ZINC000351525013 284361886 /nfs/dbraw/zinc/36/18/86/284361886.db2.gz QOGNVFXFJSMYJZ-NSHDSACASA-N 1 0 321.377 1.819 20 5 DDBDRO CC(C)[N@H+](CCN1C(=O)CNC1=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350006 248203126 /nfs/dbraw/zinc/20/31/26/248203126.db2.gz AYYPLZSXCDDNLY-UHFFFAOYSA-N 1 0 320.349 1.357 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000307818053 248836014 /nfs/dbraw/zinc/83/60/14/248836014.db2.gz MQQYMGCYAJGBPG-SECBINFHSA-N 1 0 305.256 1.913 20 5 DDBDRO COc1ccc(C[NH2+]CCSCCCO)cc1[N+](=O)[O-] ZINC000106469891 194218810 /nfs/dbraw/zinc/21/88/10/194218810.db2.gz UDGZORCDWBTGAA-UHFFFAOYSA-N 1 0 300.380 1.809 20 5 DDBDRO Cc1c(C(=O)NC[C@@](C)(O)CC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000352123520 284802303 /nfs/dbraw/zinc/80/23/03/284802303.db2.gz VNKXPFBBXYBRAH-HNNXBMFYSA-N 1 0 309.366 1.336 20 5 DDBDRO O=[N+]([O-])c1ccc(CS(=O)(=O)NCC[C@H]2CC[NH2+]C2)cc1 ZINC000110797188 194359605 /nfs/dbraw/zinc/35/96/05/194359605.db2.gz UMBASLCFMZKAOB-LLVKDONJSA-N 1 0 313.379 1.014 20 5 DDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC[C@H]1CC[NH2+]C1 ZINC000110797404 194359737 /nfs/dbraw/zinc/35/97/37/194359737.db2.gz VWPKMLBFGUYBEK-LLVKDONJSA-N 1 0 313.379 1.181 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000341062314 251362826 /nfs/dbraw/zinc/36/28/26/251362826.db2.gz PTDMHUDCRINCOH-RYUDHWBXSA-N 1 0 323.397 1.479 20 5 DDBDRO COc1cc(C(=O)NCC[C@@H]2CC[NH2+]C2)cc([N+](=O)[O-])c1OC ZINC000269167843 207290475 /nfs/dbraw/zinc/29/04/75/207290475.db2.gz FYWTWCSDYUTQPT-JTQLQIEISA-N 1 0 323.349 1.341 20 5 DDBDRO C[C@@H](NC(=O)CN(C)c1ccccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000269220425 207340223 /nfs/dbraw/zinc/34/02/23/207340223.db2.gz SESODGJQQUNSRU-CHWSQXEVSA-N 1 0 320.393 1.535 20 5 DDBDRO C[C@@H]1CC[N@H+](C)CCN1C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000352432628 285046773 /nfs/dbraw/zinc/04/67/73/285046773.db2.gz UNNYFBNGQXKARM-SNVBAGLBSA-N 1 0 321.333 1.490 20 5 DDBDRO CNc1c(C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)cccc1[N+](=O)[O-] ZINC000425069367 533040748 /nfs/dbraw/zinc/04/07/48/533040748.db2.gz UVLVPOIMSBMYIC-SMDDNHRTSA-N 1 0 318.377 1.803 20 5 DDBDRO COc1ccc(CC(=O)N[C@H]2C[NH2+]CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000567890965 304252506 /nfs/dbraw/zinc/25/25/06/304252506.db2.gz PNBSHTYLGMLYJE-JQWIXIFHSA-N 1 0 307.350 1.260 20 5 DDBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)[C@@H]1CCC[C@H]1O ZINC000286477887 219010786 /nfs/dbraw/zinc/01/07/86/219010786.db2.gz LDZFEUSGPDYADK-ZLKJLUDKSA-N 1 0 307.350 1.767 20 5 DDBDRO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[C@H]1O ZINC000352657692 285201996 /nfs/dbraw/zinc/20/19/96/285201996.db2.gz BYTRMFTTXVUSFK-ZIAGYGMSSA-N 1 0 307.350 1.769 20 5 DDBDRO CC(C)(C)OC(=O)[C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000156550193 197122862 /nfs/dbraw/zinc/12/28/62/197122862.db2.gz HMLCGQICWRDYDC-GFCCVEGCSA-N 1 0 324.381 1.845 20 5 DDBDRO CC(C)(C)OC(=O)[C@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000156550314 197122669 /nfs/dbraw/zinc/12/26/69/197122669.db2.gz HMLCGQICWRDYDC-LBPRGKRZSA-N 1 0 324.381 1.845 20 5 DDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[NH2+][C@@H](C)C2)cc1OC ZINC000155071599 197018474 /nfs/dbraw/zinc/01/84/74/197018474.db2.gz ZPDUDQACOWEEGA-JTQLQIEISA-N 1 0 323.349 1.436 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCN1CCC(O)CC1 ZINC000294841274 224257685 /nfs/dbraw/zinc/25/76/85/224257685.db2.gz MMECDJVRVHPCIY-UHFFFAOYSA-N 1 0 323.393 1.540 20 5 DDBDRO CN1CC[C@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)[C@H]1c1ccccc1 ZINC000289367131 220922946 /nfs/dbraw/zinc/92/29/46/220922946.db2.gz JONPTHJYQBQGFJ-JKSUJKDBSA-N 1 0 315.377 1.826 20 5 DDBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000352783384 285298334 /nfs/dbraw/zinc/29/83/34/285298334.db2.gz XYLTUYKSUSAAAS-GHMZBOCLSA-N 1 0 309.341 1.827 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H](C(C)C)[C@H](C)[NH3+] ZINC000423063246 533223383 /nfs/dbraw/zinc/22/33/83/533223383.db2.gz OJKWTPKLMQMNTQ-IINYFYTJSA-N 1 0 309.366 1.839 20 5 DDBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC1(N(C)C)CC1 ZINC000417382831 533446635 /nfs/dbraw/zinc/44/66/35/533446635.db2.gz OIEVEBZGYNIFPC-LBPRGKRZSA-N 1 0 320.393 1.996 20 5 DDBDRO C[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C[C@H]1C[NH3+] ZINC000420478903 533651694 /nfs/dbraw/zinc/65/16/94/533651694.db2.gz MFSCNNQAKAFIIC-DTWKUNHWSA-N 1 0 319.408 1.262 20 5 DDBDRO CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000353145041 285552439 /nfs/dbraw/zinc/55/24/39/285552439.db2.gz JHCYICZQIJQXKF-HUUCEWRRSA-N 1 0 320.393 1.757 20 5 DDBDRO COC(=O)c1cnc(N2CC[N@H+](C)[C@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000487136443 292030132 /nfs/dbraw/zinc/03/01/32/292030132.db2.gz KKKYPRGMXKMULN-ZDUSSCGKSA-N 1 0 322.365 1.553 20 5 DDBDRO C[C@H]1CN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)[C@@H](C)C[NH2+]1 ZINC000568858485 304316410 /nfs/dbraw/zinc/31/64/10/304316410.db2.gz DJLTYQUGROUXJA-IUCAKERBSA-N 1 0 303.322 1.430 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H](O)Cn1ccnn1 ZINC000569081580 304334622 /nfs/dbraw/zinc/33/46/22/304334622.db2.gz CLZLJIVIVAWMJW-WCQYABFASA-N 1 0 305.338 1.206 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@H]2[C@H]2CCCOC2)c1 ZINC000569453293 304355310 /nfs/dbraw/zinc/35/53/10/304355310.db2.gz UVMIDDYHOWZRER-CFVMTHIKSA-N 1 0 324.381 1.043 20 5 DDBDRO C[C@@H]1C[NH2+][C@@H](C)CN1S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000156193901 297113872 /nfs/dbraw/zinc/11/38/72/297113872.db2.gz IMBPRTGYELLMQG-DTWKUNHWSA-N 1 0 317.342 1.105 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000261631369 407560196 /nfs/dbraw/zinc/56/01/96/407560196.db2.gz HPUIJLUYQMHEIF-ZDUSSCGKSA-N 1 0 313.379 1.263 20 5 DDBDRO CCn1c(C)nc([N+](=O)[O-])c1NC1CC[NH+](CCOC)CC1 ZINC000360967145 299784857 /nfs/dbraw/zinc/78/48/57/299784857.db2.gz XQSSRXJPXWFVQK-UHFFFAOYSA-N 1 0 311.386 1.642 20 5 DDBDRO C[C@H]1CCC[N@H+](CCCCNC(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000068085013 406614655 /nfs/dbraw/zinc/61/46/55/406614655.db2.gz DHUIVWJCBNAETD-ZDUSSCGKSA-N 1 0 323.397 1.420 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000072064497 406874039 /nfs/dbraw/zinc/87/40/39/406874039.db2.gz JABCRKJEHNTNNM-UHFFFAOYSA-N 1 0 317.349 1.914 20 5 DDBDRO CCN(CCC[NH2+]Cc1csc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000038035611 406998048 /nfs/dbraw/zinc/99/80/48/406998048.db2.gz KOSILNCDRSTYHH-UHFFFAOYSA-N 1 0 321.424 1.418 20 5 DDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C[C@H]1CSCC[NH2+]1 ZINC000091136178 407179666 /nfs/dbraw/zinc/17/96/66/407179666.db2.gz QCQFFYBFMWHTSH-LBPRGKRZSA-N 1 0 309.391 1.648 20 5 DDBDRO CC[N@@H+]1CC[C@H](CNC(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000107891499 407381010 /nfs/dbraw/zinc/38/10/10/407381010.db2.gz ZXMACUPJXSDIOK-CYBMUJFWSA-N 1 0 320.393 1.855 20 5 DDBDRO CC[N@@H+]1CC[C@H](CNC(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000107893573 407381119 /nfs/dbraw/zinc/38/11/19/407381119.db2.gz WAQPDQPAJPCAAU-GFCCVEGCSA-N 1 0 306.366 1.465 20 5 DDBDRO [NH3+]C[C@@H]1CCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000178559877 407493679 /nfs/dbraw/zinc/49/36/79/407493679.db2.gz SEKOGDFOMHSUDS-NSHDSACASA-N 1 0 315.333 1.201 20 5 DDBDRO CS[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2N)C[C@@H]1[NH+](C)C ZINC000271205480 407574431 /nfs/dbraw/zinc/57/44/31/407574431.db2.gz XTYTZKXTXPGTFW-RYUDHWBXSA-N 1 0 324.406 1.295 20 5 DDBDRO C[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)CC1(O)CCCC1 ZINC000152179952 407576543 /nfs/dbraw/zinc/57/65/43/407576543.db2.gz YOVHCXMAXUXUHX-AWEZNQCLSA-N 1 0 324.377 1.571 20 5 DDBDRO COc1ccc(C(=O)N2CC[C@H](C[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000114148557 407544298 /nfs/dbraw/zinc/54/42/98/407544298.db2.gz VJIRORHJSSTTGK-LLVKDONJSA-N 1 0 307.350 1.627 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCC[C@H](C3OCCO3)C2)c1 ZINC000178859912 407630431 /nfs/dbraw/zinc/63/04/31/407630431.db2.gz WGOPHAAYUSPEPK-ZFWWWQNUSA-N 1 0 322.361 1.713 20 5 DDBDRO O=C(CCNc1ccccc1[N+](=O)[O-])NCC1=CC[NH2+]CC1 ZINC000186298911 407632592 /nfs/dbraw/zinc/63/25/92/407632592.db2.gz DDPCODXTFDJZQY-UHFFFAOYSA-N 1 0 304.350 1.433 20 5 DDBDRO O=[N+]([O-])c1ccc(-c2noc(CN3CCC[NH2+]CC3)n2)cc1 ZINC000261966385 407696426 /nfs/dbraw/zinc/69/64/26/407696426.db2.gz PJUPJEPRXGCGQH-UHFFFAOYSA-N 1 0 303.322 1.440 20 5 DDBDRO CC(C)C[C@@H](C[NH3+])NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000236656859 407740805 /nfs/dbraw/zinc/74/08/05/407740805.db2.gz KTEHFXJAYMTEIC-VIFPVBQESA-N 1 0 305.338 1.574 20 5 DDBDRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000186705377 407749396 /nfs/dbraw/zinc/74/93/96/407749396.db2.gz XPIMQBQFJJMELX-AAEUAGOBSA-N 1 0 306.366 1.511 20 5 DDBDRO CCCC[NH+]1CCC(NC(=O)c2[nH]nc(CC)c2[N+](=O)[O-])CC1 ZINC000171805759 407772618 /nfs/dbraw/zinc/77/26/18/407772618.db2.gz TYFKDCVEPVFJRQ-UHFFFAOYSA-N 1 0 323.397 1.875 20 5 DDBDRO CC(C)[C@@H]([NH3+])CCN(C)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000236802115 407773962 /nfs/dbraw/zinc/77/39/62/407773962.db2.gz DZHNRYUZKGCKAI-VIFPVBQESA-N 1 0 321.424 1.650 20 5 DDBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000267339940 407841512 /nfs/dbraw/zinc/84/15/12/407841512.db2.gz DJXCKXVTGWECAJ-ZDUSSCGKSA-N 1 0 306.366 1.457 20 5 DDBDRO C[C@H]([NH2+]CCNC(=O)c1ccn[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000180210124 407866769 /nfs/dbraw/zinc/86/67/69/407866769.db2.gz GRFFODFDBKHRAN-JTQLQIEISA-N 1 0 303.322 1.399 20 5 DDBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)[NH+](C)C ZINC000272334630 407872243 /nfs/dbraw/zinc/87/22/43/407872243.db2.gz WBYOJELSNWVYKN-QMMMGPOBSA-N 1 0 317.292 1.876 20 5 DDBDRO C[C@@H]1[C@H](C)[NH2+]CCN1S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000262813923 407945680 /nfs/dbraw/zinc/94/56/80/407945680.db2.gz YUXOUTFNGYVMES-DTWKUNHWSA-N 1 0 317.342 1.105 20 5 DDBDRO CN(Cc1cccnc1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000119035994 407981232 /nfs/dbraw/zinc/98/12/32/407981232.db2.gz MTDBJCRKQYBZTQ-UHFFFAOYSA-N 1 0 300.318 1.721 20 5 DDBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000174153523 407916619 /nfs/dbraw/zinc/91/66/19/407916619.db2.gz ICUNYIWRSSHZRV-CYBMUJFWSA-N 1 0 320.393 1.949 20 5 DDBDRO C[C@H](C[NH+]1CCOCC1)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000273038266 408029852 /nfs/dbraw/zinc/02/98/52/408029852.db2.gz FSEFOJCHXOQFQH-CYBMUJFWSA-N 1 0 321.377 1.222 20 5 DDBDRO Cc1nc(NC2CCN(CC[NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000268429981 408040984 /nfs/dbraw/zinc/04/09/84/408040984.db2.gz BAHFZVQOOBQHFL-UHFFFAOYSA-N 1 0 307.398 1.736 20 5 DDBDRO Cc1ccc(CN(CC[NH+](C)C)C(=O)c2n[nH]cc2[N+](=O)[O-])o1 ZINC000154531016 408048484 /nfs/dbraw/zinc/04/84/84/408048484.db2.gz WFXJZPQJXCEQLY-UHFFFAOYSA-N 1 0 321.337 1.423 20 5 DDBDRO COc1cc(C[NH2+][C@H]2C[C@H](O)C2(C)C)c([N+](=O)[O-])cc1OC ZINC000189349521 408007035 /nfs/dbraw/zinc/00/70/35/408007035.db2.gz SCGOMUBRHJZLAY-KBPBESRZSA-N 1 0 310.350 1.861 20 5 DDBDRO C[N@H+](CC(=O)NCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCSC1 ZINC000154825265 408090937 /nfs/dbraw/zinc/09/09/37/408090937.db2.gz SQGVZNWSXLVTCX-CQSZACIVSA-N 1 0 323.418 1.691 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000119718472 408107739 /nfs/dbraw/zinc/10/77/39/408107739.db2.gz QLQRBTJNFHRUJJ-GFCCVEGCSA-N 1 0 321.381 1.419 20 5 DDBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C1 ZINC000175405300 408121598 /nfs/dbraw/zinc/12/15/98/408121598.db2.gz IMRKSYQPWOCJTB-SNVBAGLBSA-N 1 0 308.338 1.252 20 5 DDBDRO CCC[NH+]1CCN(C(=O)CCn2nc(C)c([N+](=O)[O-])c2C)CC1 ZINC000263803644 408264941 /nfs/dbraw/zinc/26/49/41/408264941.db2.gz OTXDMMUDBWPPIF-UHFFFAOYSA-N 1 0 323.397 1.352 20 5 DDBDRO C[NH+](C)CCNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000155875661 408222583 /nfs/dbraw/zinc/22/25/83/408222583.db2.gz ZPNQOWAGECOHJE-UHFFFAOYSA-N 1 0 303.265 1.488 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)c1[N+](=O)[O-] ZINC000269328120 408270545 /nfs/dbraw/zinc/27/05/45/408270545.db2.gz DMSYRUHWKIRJJX-GHMZBOCLSA-N 1 0 321.381 1.750 20 5 DDBDRO Cc1cc(S(=O)(=O)N2CCC[NH2+]CC2)cc([N+](=O)[O-])c1F ZINC000183117429 408331748 /nfs/dbraw/zinc/33/17/48/408331748.db2.gz FZFPKCDKBRZELQ-UHFFFAOYSA-N 1 0 317.342 1.026 20 5 DDBDRO C[C@@H]([NH2+][C@H](C)c1cn[nH]c1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000274162997 408312060 /nfs/dbraw/zinc/31/20/60/408312060.db2.gz ZOZHVEYJTHXWGB-NXEZZACHSA-N 1 0 303.322 1.996 20 5 DDBDRO C[N@@H+]1CC[C@@H](Cn2nnnc2Sc2ccc([N+](=O)[O-])cn2)C1 ZINC000131941709 162026621 /nfs/dbraw/zinc/02/66/21/162026621.db2.gz OXYUEYIJUHKHFX-SECBINFHSA-N 1 0 321.366 1.079 20 5 DDBDRO CC(C)[C@@H]([NH3+])CNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000138077765 162128377 /nfs/dbraw/zinc/12/83/77/162128377.db2.gz BNLSOXAURBLRLV-VIFPVBQESA-N 1 0 301.368 1.394 20 5 DDBDRO COC(=O)CN1CCC([NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000183270428 408367110 /nfs/dbraw/zinc/36/71/10/408367110.db2.gz SCOKZBZLEJKMSD-UHFFFAOYSA-N 1 0 321.377 1.364 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000183361230 408390473 /nfs/dbraw/zinc/39/04/73/408390473.db2.gz RKPFHHMQYKUIEB-MRXNPFEDSA-N 1 0 323.393 1.028 20 5 DDBDRO C[C@@H]1C[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C[N@@H+]1C1CC1 ZINC000177081911 408514244 /nfs/dbraw/zinc/51/42/44/408514244.db2.gz XZISOKHRSOTQCL-PSASIEDQSA-N 1 0 322.340 1.671 20 5 DDBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000176898205 408469413 /nfs/dbraw/zinc/46/94/13/408469413.db2.gz GFVPFFSKOZBSQT-GFCCVEGCSA-N 1 0 324.381 1.264 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000177205443 408551257 /nfs/dbraw/zinc/55/12/57/408551257.db2.gz YFHHWYWDYAIPOT-WDEREUQCSA-N 1 0 319.361 1.958 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000161095828 408559003 /nfs/dbraw/zinc/55/90/03/408559003.db2.gz XZBLPIXGVNMCBV-UHFFFAOYSA-N 1 0 317.349 1.320 20 5 DDBDRO C[NH2+]C[C@@H]1CCCN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000161280661 408581587 /nfs/dbraw/zinc/58/15/87/408581587.db2.gz ABAAWYKALDDEDU-LBPRGKRZSA-N 1 0 307.350 1.574 20 5 DDBDRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000161369034 408593952 /nfs/dbraw/zinc/59/39/52/408593952.db2.gz AHUMEXGWCLDOTE-SKDRFNHKSA-N 1 0 324.356 1.775 20 5 DDBDRO CC(C)[C@@H](CCO)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000161906979 408650677 /nfs/dbraw/zinc/65/06/77/408650677.db2.gz KDRBCKMTPFQDRL-CQSZACIVSA-N 1 0 309.366 1.920 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000177542484 408651537 /nfs/dbraw/zinc/65/15/37/408651537.db2.gz AXZZVHKUCHKTSU-QWHCGFSZSA-N 1 0 323.397 1.479 20 5 DDBDRO C[NH+](C)C1CN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000270866954 408717554 /nfs/dbraw/zinc/71/75/54/408717554.db2.gz VIBKCDMEOJKXEL-UHFFFAOYSA-N 1 0 302.334 1.322 20 5 DDBDRO Cc1cc(C(=O)N2C[C@H]3CC[C@@H]([NH3+])[C@@H]3C2)c(N)c([N+](=O)[O-])c1 ZINC000184946730 408722052 /nfs/dbraw/zinc/72/20/52/408722052.db2.gz MMEPNFUTSRUTHG-YUSALJHKSA-N 1 0 304.350 1.295 20 5 DDBDRO C[C@H]1CCC[N@H+](CCCCNC(=O)c2c([N+](=O)[O-])cnn2C)C1 ZINC000162188215 408676358 /nfs/dbraw/zinc/67/63/58/408676358.db2.gz QGPXBEOJJMUXCH-LBPRGKRZSA-N 1 0 323.397 1.570 20 5 DDBDRO COc1cccc(NC[C@H]2CN(C3CC3)CCO2)c1[N+](=O)[O-] ZINC000185382154 408802956 /nfs/dbraw/zinc/80/29/56/408802956.db2.gz CEIUICAYINOPFC-LBPRGKRZSA-N 1 0 307.350 1.879 20 5 DDBDRO COc1ccc(OCC[N@@H+]2CC[C@@H](O)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000249583232 408746706 /nfs/dbraw/zinc/74/67/06/408746706.db2.gz RYCHDWKQRXKZHQ-SMDDNHRTSA-N 1 0 310.350 1.685 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H](C)C[N@H+](C)C(C)C ZINC000290924349 408853102 /nfs/dbraw/zinc/85/31/02/408853102.db2.gz LBYNHUBEYRCVLI-LLVKDONJSA-N 1 0 311.386 1.335 20 5 DDBDRO O=C(CC[C@H]1CCC[NH2+]1)NCCNc1ccccc1[N+](=O)[O-] ZINC000291681371 408906022 /nfs/dbraw/zinc/90/60/22/408906022.db2.gz CKMQFSKFCYQUOI-GFCCVEGCSA-N 1 0 306.366 1.655 20 5 DDBDRO COC(=O)c1cnc(NCC[N@@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000276603373 408891338 /nfs/dbraw/zinc/89/13/38/408891338.db2.gz RKWAURUKTXANDU-NSHDSACASA-N 1 0 322.365 1.920 20 5 DDBDRO C[C@H](O)C[NH+]1CCN(c2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000291781430 408922706 /nfs/dbraw/zinc/92/27/06/408922706.db2.gz COPCQMBWPGNMOB-LBPRGKRZSA-N 1 0 316.361 1.646 20 5 DDBDRO CN1CCCN(CCCOc2ccc([N+](=O)[O-])cc2)CC1=O ZINC000191140681 163174887 /nfs/dbraw/zinc/17/48/87/163174887.db2.gz DWHMKOPUNNWMLZ-UHFFFAOYSA-N 1 0 307.350 1.528 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC[NH+]1CCCC1 ZINC000192712208 163234239 /nfs/dbraw/zinc/23/42/39/163234239.db2.gz LLUXGPLDZJFIRR-UHFFFAOYSA-N 1 0 313.379 1.277 20 5 DDBDRO CCCN(CC[NH+]1CCCCC1)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000286238472 408947229 /nfs/dbraw/zinc/94/72/29/408947229.db2.gz OMIBUJMNMOOHRX-UHFFFAOYSA-N 1 0 309.370 1.656 20 5 DDBDRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000277443166 408942055 /nfs/dbraw/zinc/94/20/55/408942055.db2.gz GYNQOFWQGFXNBY-UFBFGSQYSA-N 1 0 308.294 1.231 20 5 DDBDRO C[C@H]1C[C@H](N2CCOCC2)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000286223735 408945001 /nfs/dbraw/zinc/94/50/01/408945001.db2.gz YVIGNNKPZVQCDH-BBRMVZONSA-N 1 0 305.378 1.890 20 5 DDBDRO CC[N@@H+]1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000286380147 408974520 /nfs/dbraw/zinc/97/45/20/408974520.db2.gz GQCPNUWKIGOSSU-ZFWWWQNUSA-N 1 0 323.393 1.361 20 5 DDBDRO C[N@@H+]1CC[C@]2(CCN(c3ccc(C(N)=O)cc3[N+](=O)[O-])C2)C1 ZINC000292345717 409026269 /nfs/dbraw/zinc/02/62/69/409026269.db2.gz QJGFJSZJQQEMQF-HNNXBMFYSA-N 1 0 304.350 1.226 20 5 DDBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000293528519 409131559 /nfs/dbraw/zinc/13/15/59/409131559.db2.gz UXMDJTVPSVLGDT-BXUZGUMPSA-N 1 0 321.402 1.897 20 5 DDBDRO CCc1nocc1CN(C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000293507180 409127222 /nfs/dbraw/zinc/12/72/22/409127222.db2.gz UVHDVNAKAOQBET-UHFFFAOYSA-N 1 0 306.322 1.439 20 5 DDBDRO NC(=O)c1ccc(C[NH2+][C@H]2CCC[C@H]2CCO)c([N+](=O)[O-])c1 ZINC000279167516 409161889 /nfs/dbraw/zinc/16/18/89/409161889.db2.gz BRFSSMVVFNQKJF-GWCFXTLKSA-N 1 0 307.350 1.334 20 5 DDBDRO C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)C[N@@H+]1C1CC1 ZINC000279492337 409224036 /nfs/dbraw/zinc/22/40/36/409224036.db2.gz RSEFPJUUPNLAIC-IUCAKERBSA-N 1 0 322.340 1.671 20 5 DDBDRO Nc1c(C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)cccc1[N+](=O)[O-] ZINC000289206617 409233545 /nfs/dbraw/zinc/23/35/45/409233545.db2.gz KBUDMROXEQKVSR-OAHLLOKOSA-N 1 0 304.350 1.393 20 5 DDBDRO CN(C)CC[N@H+](C)CCCN(C)Cc1csc([N+](=O)[O-])c1 ZINC000289385049 409258453 /nfs/dbraw/zinc/25/84/53/409258453.db2.gz JNHSNIXSKTVLAI-UHFFFAOYSA-N 1 0 314.455 1.972 20 5 DDBDRO COc1ccc(C[NH2+][C@H]2CCS(=O)(=O)[C@H]2C)cc1[N+](=O)[O-] ZINC000293884523 409201209 /nfs/dbraw/zinc/20/12/09/409201209.db2.gz JZJHBTNYJFUQAA-ONGXEEELSA-N 1 0 314.363 1.269 20 5 DDBDRO C[C@H]([NH2+]CCN1CCOCC1(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284115883 409278019 /nfs/dbraw/zinc/27/80/19/409278019.db2.gz NNSOWJVKYUMNNH-LBPRGKRZSA-N 1 0 322.409 1.938 20 5 DDBDRO Cc1cc(C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)c(N)c([N+](=O)[O-])c1 ZINC000290054748 409294103 /nfs/dbraw/zinc/29/41/03/409294103.db2.gz HIFORUNPKMLHSM-GHMZBOCLSA-N 1 0 304.350 1.167 20 5 DDBDRO [NH3+]C1CCC(NC(=O)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000262548772 163846997 /nfs/dbraw/zinc/84/69/97/163846997.db2.gz PDHSGPYVEIYOSM-UHFFFAOYSA-N 1 0 307.350 1.750 20 5 DDBDRO CC1(C)C[C@H](O)CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000296047295 409411792 /nfs/dbraw/zinc/41/17/92/409411792.db2.gz NMOJVCZPCHMFCC-CYBMUJFWSA-N 1 0 321.377 1.677 20 5 DDBDRO O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)c1csc([N+](=O)[O-])c1 ZINC000295306888 409425543 /nfs/dbraw/zinc/42/55/43/409425543.db2.gz BNKRSGXQZUQOBM-LLVKDONJSA-N 1 0 313.379 1.233 20 5 DDBDRO O=C(NCCCN1CC[NH2+]CC1)Nc1cccc([N+](=O)[O-])c1 ZINC000314199313 164013135 /nfs/dbraw/zinc/01/31/35/164013135.db2.gz IFGPKRMWPQQMKI-UHFFFAOYSA-N 1 0 307.354 1.012 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](C)CCC[NH3+])cc1C ZINC000314169125 164013158 /nfs/dbraw/zinc/01/31/58/164013158.db2.gz NBPRCHPZVNMQOL-NSHDSACASA-N 1 0 315.395 1.617 20 5 DDBDRO O=C(NCCCN1CC[NH2+]CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000314226434 164013997 /nfs/dbraw/zinc/01/39/97/164013997.db2.gz NCEVKHGJWLLAPC-UHFFFAOYSA-N 1 0 307.354 1.012 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000357095054 164138356 /nfs/dbraw/zinc/13/83/56/164138356.db2.gz ZVOJRWYLPKIGGQ-QWHCGFSZSA-N 1 0 318.377 1.383 20 5 DDBDRO CC1(C)CN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC[NH2+]1 ZINC000408320350 164295989 /nfs/dbraw/zinc/29/59/89/164295989.db2.gz NAUZUJORSHJVNX-UHFFFAOYSA-N 1 0 302.334 1.900 20 5 DDBDRO C[C@@H]([NH2+]C1CC1)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000296466098 409568506 /nfs/dbraw/zinc/56/85/06/409568506.db2.gz PAYAOVOOMHWDTQ-GFCCVEGCSA-N 1 0 318.377 1.384 20 5 DDBDRO CNC(=O)[C@H](CCSC)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000342302343 409568509 /nfs/dbraw/zinc/56/85/09/409568509.db2.gz CMFFAWHBUZHXEA-LBPRGKRZSA-N 1 0 311.407 1.861 20 5 DDBDRO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000354008014 409596470 /nfs/dbraw/zinc/59/64/70/409596470.db2.gz HBWSVRMKCMSNMY-RYUDHWBXSA-N 1 0 323.397 1.948 20 5 DDBDRO C[C@H]([NH2+]CC(=O)N1C[C@H](C)O[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000296536662 409605134 /nfs/dbraw/zinc/60/51/34/409605134.db2.gz DQKPUIVHKRCHSJ-AVGNSLFASA-N 1 0 321.377 1.881 20 5 DDBDRO COC(=O)Cc1ccc(NC[C@H]2CC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC000297192638 409845252 /nfs/dbraw/zinc/84/52/52/409845252.db2.gz QTVQEBQRQBCNKP-GFCCVEGCSA-N 1 0 307.350 1.674 20 5 DDBDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000357005083 409785071 /nfs/dbraw/zinc/78/50/71/409785071.db2.gz QVOWUVYVELQHLJ-CHWSQXEVSA-N 1 0 320.393 1.582 20 5 DDBDRO Cc1cc(N2CCC[C@@](O)(CO)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000313669241 409814735 /nfs/dbraw/zinc/81/47/35/409814735.db2.gz LZVXVLCZMTZBFR-INIZCTEOSA-N 1 0 317.345 1.775 20 5 DDBDRO COC[C@]1(CNC(=O)/C=C\c2ccccc2[N+](=O)[O-])CCC[NH2+]1 ZINC000324006643 409923758 /nfs/dbraw/zinc/92/37/58/409923758.db2.gz KEDQOUDNUVRLRI-XITLMJRVSA-N 1 0 319.361 1.493 20 5 DDBDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C[C@@H](C)C1 ZINC000346224435 409862909 /nfs/dbraw/zinc/86/29/09/409862909.db2.gz NUHFUYOGNIDLPV-DMDPSCGWSA-N 1 0 306.366 1.725 20 5 DDBDRO COc1cc(C(=O)N[C@@H](C)C[NH+](C)C)cc([N+](=O)[O-])c1OC ZINC000346253279 409880257 /nfs/dbraw/zinc/88/02/57/409880257.db2.gz GWWRYGNXTVZYAS-VIFPVBQESA-N 1 0 311.338 1.292 20 5 DDBDRO CN(C(=O)c1c(N)cccc1[N+](=O)[O-])[C@H]1CC[N@@H+](C2CC2)C1 ZINC000354479355 409883793 /nfs/dbraw/zinc/88/37/93/409883793.db2.gz NQKIWLYTLJJYEW-NSHDSACASA-N 1 0 304.350 1.486 20 5 DDBDRO COc1cc(C(=O)N2CC[NH2+]C(C)(C)C2)cc([N+](=O)[O-])c1OC ZINC000357334325 409981570 /nfs/dbraw/zinc/98/15/70/409981570.db2.gz KIZJXWDKSJZZLP-UHFFFAOYSA-N 1 0 323.349 1.436 20 5 DDBDRO COc1cc(Cc2noc([C@H]3CC[N@H+](C)C3)n2)ccc1[N+](=O)[O-] ZINC000350154635 409927913 /nfs/dbraw/zinc/92/79/13/409927913.db2.gz DXFXTFSVPRWMJF-NSHDSACASA-N 1 0 318.333 1.996 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCC[N@H+]2CC=C(C)CC2)n1 ZINC000342848640 409946604 /nfs/dbraw/zinc/94/66/04/409946604.db2.gz IOPVVKKZYMXXKL-UHFFFAOYSA-N 1 0 320.349 1.840 20 5 DDBDRO COc1c(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000354580874 409948386 /nfs/dbraw/zinc/94/83/86/409948386.db2.gz DCVPVFAROQESSF-NWDGAFQWSA-N 1 0 319.361 1.960 20 5 DDBDRO COc1ccc(NC(=O)CC[N@H+](CCO)C2CC2)c([N+](=O)[O-])c1 ZINC000297947088 410056233 /nfs/dbraw/zinc/05/62/33/410056233.db2.gz SMTCVPCZEHHDJH-UHFFFAOYSA-N 1 0 323.349 1.389 20 5 DDBDRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000343110955 410155275 /nfs/dbraw/zinc/15/52/75/410155275.db2.gz YVGJCOIKKMOVCK-ABAIWWIYSA-N 1 0 319.361 1.382 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000351848696 410284494 /nfs/dbraw/zinc/28/44/94/410284494.db2.gz DVMIFHOKVMUKBL-GHMZBOCLSA-N 1 0 322.365 1.211 20 5 DDBDRO CC(C)(C)[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C(N)=O ZINC000298757317 410386178 /nfs/dbraw/zinc/38/61/78/410386178.db2.gz WXWSKIUBXGSMPG-ZDUSSCGKSA-N 1 0 322.365 1.413 20 5 DDBDRO COc1c(C(=O)N[C@H]2CCc3[nH]cnc3C2)cccc1[N+](=O)[O-] ZINC000358400029 410462577 /nfs/dbraw/zinc/46/25/77/410462577.db2.gz VYQLIMAVNYBWMU-VIFPVBQESA-N 1 0 316.317 1.614 20 5 DDBDRO C[NH+](C)Cc1cccc(CNC(=O)c2ccc([N+](=O)[O-])[nH]2)c1 ZINC000298853701 410422609 /nfs/dbraw/zinc/42/26/09/410422609.db2.gz ALXWPEJSAWFBNM-UHFFFAOYSA-N 1 0 302.334 1.915 20 5 DDBDRO C[NH+](C)CC[C@@](C)(O)CNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000352111827 410487640 /nfs/dbraw/zinc/48/76/40/410487640.db2.gz NNVVEFMPXRPIBS-GFCCVEGCSA-N 1 0 301.368 1.089 20 5 DDBDRO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCSC[C@@H]1CCO ZINC000347391513 410517625 /nfs/dbraw/zinc/51/76/25/410517625.db2.gz PLKWOBLLBXTRQN-LBPRGKRZSA-N 1 0 312.391 1.773 20 5 DDBDRO O=[N+]([O-])c1cccc2ncnc(NCC[NH+]3CCSCC3)c21 ZINC000347402151 410524884 /nfs/dbraw/zinc/52/48/84/410524884.db2.gz DTTVMYQAIDDNDR-UHFFFAOYSA-N 1 0 319.390 1.999 20 5 DDBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000359293534 410584253 /nfs/dbraw/zinc/58/42/53/410584253.db2.gz VKRSDRBIKFKQCH-WOPDTQHZSA-N 1 0 304.350 1.073 20 5 DDBDRO CCC[C@H]1C[NH2+]CCN1CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000359048880 410549787 /nfs/dbraw/zinc/54/97/87/410549787.db2.gz WIKPJKRCNLKPHT-ZDUSSCGKSA-N 1 0 320.393 1.916 20 5 DDBDRO C[C@@H]1[C@H](NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CCC[N@@H+]1C ZINC000343583803 410551614 /nfs/dbraw/zinc/55/16/14/410551614.db2.gz ZKEAPTRZIIRKNT-MWLCHTKSSA-N 1 0 321.333 1.536 20 5 DDBDRO COC(=O)[C@@](C)(O)CN(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000343690213 410622953 /nfs/dbraw/zinc/62/29/53/410622953.db2.gz MEPQRNIWZWMDDO-HNNXBMFYSA-N 1 0 308.334 1.483 20 5 DDBDRO C[C@@H]1CN(c2nc3ccccc3cc2[N+](=O)[O-])CCN1CCO ZINC000352362212 410647696 /nfs/dbraw/zinc/64/76/96/410647696.db2.gz VBKYGELFFKIBLC-GFCCVEGCSA-N 1 0 316.361 1.646 20 5 DDBDRO CC[C@H]1CN(c2ncc([N+](=O)[O-])cc2C)CC[N@@H+]1CCOC ZINC000301400405 410714964 /nfs/dbraw/zinc/71/49/64/410714964.db2.gz IGQXZXPSTWGWOC-ZDUSSCGKSA-N 1 0 308.382 1.845 20 5 DDBDRO Cc1nn(CCC(=O)N2C[C@H](C)[N@@H+](C)C[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000330605532 410822347 /nfs/dbraw/zinc/82/23/47/410822347.db2.gz ZDVYNUWHKZJQQQ-QWRGUYRKSA-N 1 0 323.397 1.349 20 5 DDBDRO COc1cc(CN[C@H]2CC[N@H+](C)[C@H](C)C2)c([N+](=O)[O-])cc1O ZINC000330679904 410873688 /nfs/dbraw/zinc/87/36/88/410873688.db2.gz YESWMKLXPYYBOU-PWSUYJOCSA-N 1 0 309.366 1.881 20 5 DDBDRO CC(=O)NC1CCC([N@H+](C)CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000344034192 410907634 /nfs/dbraw/zinc/90/76/34/410907634.db2.gz GUDXJVRDKJDSCQ-UHFFFAOYSA-N 1 0 309.370 1.170 20 5 DDBDRO C[C@@H]1CC[N@H+](C)CCN1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000341242895 410961264 /nfs/dbraw/zinc/96/12/64/410961264.db2.gz XMZCJYDKTSSBKO-CYBMUJFWSA-N 1 0 320.393 1.873 20 5 DDBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2C[C@@H](O)C[C@@H]2CO)o1 ZINC000359974848 410978270 /nfs/dbraw/zinc/97/82/70/410978270.db2.gz PLDGINFVUMTOQM-NEPJUHHUSA-N 1 0 318.329 1.782 20 5 DDBDRO Cc1nn(C)c(C(=O)NCC[N@@H+]2CCCC(C)(C)C2)c1[N+](=O)[O-] ZINC000331293361 411062326 /nfs/dbraw/zinc/06/23/26/411062326.db2.gz LVBGSHHWWQYMRX-UHFFFAOYSA-N 1 0 323.397 1.489 20 5 DDBDRO Cc1cc(N2CCC[N@@H+]([C@@H](C)CO)CC2)c(F)cc1[N+](=O)[O-] ZINC000360054363 411022936 /nfs/dbraw/zinc/02/29/36/411022936.db2.gz SVEKSMPTHXNQPY-LBPRGKRZSA-N 1 0 311.357 1.935 20 5 DDBDRO CCCC[C@@H](C[NH3+])NC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000580532277 422939486 /nfs/dbraw/zinc/93/94/86/422939486.db2.gz FJIRDUPDABIFFW-LBPRGKRZSA-N 1 0 324.381 1.790 20 5 DDBDRO O=C(NCCCC[N@H+]1CCC[C@H]1CO)c1ccc([N+](=O)[O-])cc1 ZINC000131399387 196164675 /nfs/dbraw/zinc/16/46/75/196164675.db2.gz JZIYPCPQEGUCOT-HNNXBMFYSA-N 1 0 321.377 1.562 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000417175938 225233254 /nfs/dbraw/zinc/23/32/54/225233254.db2.gz JQOJLNXMKURJBD-ZYHUDNBSSA-N 1 0 322.365 1.530 20 5 DDBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)NCC1C[NH2+]C1 ZINC000417720875 225411195 /nfs/dbraw/zinc/41/11/95/225411195.db2.gz SKQBKXQXCKZPCN-UHFFFAOYSA-N 1 0 306.366 1.436 20 5 DDBDRO O=C(NCCC[NH2+]C1CCCCC1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000419908350 226395158 /nfs/dbraw/zinc/39/51/58/226395158.db2.gz IHGWGPQRNARQKQ-UHFFFAOYSA-N 1 0 322.365 1.738 20 5 DDBDRO C[C@@H]1[C@H]([NH3+])CCCN1C(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000297369986 227075218 /nfs/dbraw/zinc/07/52/18/227075218.db2.gz LQHUVSNEEWPXBD-VXNVDRBHSA-N 1 0 321.362 1.551 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]2C[NH2+]CCC[C@H]21 ZINC000373558631 418438352 /nfs/dbraw/zinc/43/83/52/418438352.db2.gz CGQWRLAIYYIMHZ-IUODEOHRSA-N 1 0 318.377 1.902 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[C@H]2C[NH2+]CCC[C@H]21 ZINC000366840159 418525220 /nfs/dbraw/zinc/52/52/20/418525220.db2.gz IVWWRKPXVZYYAL-QWHCGFSZSA-N 1 0 321.381 1.090 20 5 DDBDRO C[C@@H]1CC[NH2+]C[C@@H]1NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000193417920 222153804 /nfs/dbraw/zinc/15/38/04/222153804.db2.gz GLTHVDOABQGWFK-MFKMUULPSA-N 1 0 313.379 1.012 20 5 DDBDRO CNc1c(C(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000361220808 418608431 /nfs/dbraw/zinc/60/84/31/418608431.db2.gz MNRSOIYXDAIYCS-LBPRGKRZSA-N 1 0 318.377 1.945 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H](OC)C1 ZINC000361362590 418635723 /nfs/dbraw/zinc/63/57/23/418635723.db2.gz UDTLKZJMRWVYEJ-GFCCVEGCSA-N 1 0 323.349 1.653 20 5 DDBDRO COCC1(C(=O)NCc2cccc([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000389645912 418750417 /nfs/dbraw/zinc/75/04/17/418750417.db2.gz MOJHYAIFUSLVRQ-UHFFFAOYSA-N 1 0 307.350 1.227 20 5 DDBDRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc([N+](=O)[O-])cc1 ZINC000364468282 418778211 /nfs/dbraw/zinc/77/82/11/418778211.db2.gz ZOLKBZIFPFNPDL-UONOGXRCSA-N 1 0 305.334 1.188 20 5 DDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000422902532 227249602 /nfs/dbraw/zinc/24/96/02/227249602.db2.gz DQUHIBLZZGNRPP-CQSZACIVSA-N 1 0 315.333 1.968 20 5 DDBDRO O=C(c1ccc([N+](=O)[O-])cn1)N1CCC(c2c[nH]cn2)CC1 ZINC000372013666 418831507 /nfs/dbraw/zinc/83/15/07/418831507.db2.gz PCXUAICIIBOFPZ-UHFFFAOYSA-N 1 0 301.306 1.733 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@](CO)(c3ccccc3)C2)c1 ZINC000365848496 418916244 /nfs/dbraw/zinc/91/62/44/418916244.db2.gz QFUIPEZKRCNXNL-INIZCTEOSA-N 1 0 316.361 1.427 20 5 DDBDRO COc1cc(C(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)cc([N+](=O)[O-])c1C ZINC000423534389 227534208 /nfs/dbraw/zinc/53/42/08/227534208.db2.gz VUSBZNGLBDUNML-GHMZBOCLSA-N 1 0 307.350 1.721 20 5 DDBDRO O=C(CC[N@H+]1CCC[C@H]1CCO)Nc1ccc([N+](=O)[O-])cc1 ZINC000411567116 419346748 /nfs/dbraw/zinc/34/67/48/419346748.db2.gz IUQOTEKZTCMPIP-ZDUSSCGKSA-N 1 0 307.350 1.770 20 5 DDBDRO CCOc1cc(C[N@@H+]2CC[C@@H](C(=O)NC)C2)ccc1[N+](=O)[O-] ZINC000420970435 419393531 /nfs/dbraw/zinc/39/35/31/419393531.db2.gz GGCGKUSMWZXDKZ-GFCCVEGCSA-N 1 0 307.350 1.561 20 5 DDBDRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000417943783 419406911 /nfs/dbraw/zinc/40/69/11/419406911.db2.gz PDRABZDQBCPPKJ-OCCSQVGLSA-N 1 0 320.393 1.906 20 5 DDBDRO C[NH2+]C[C@H](C)CNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000418086339 419519851 /nfs/dbraw/zinc/51/98/51/419519851.db2.gz YLAOHYIDDCMCBG-VIFPVBQESA-N 1 0 320.353 1.126 20 5 DDBDRO Cc1c(CNC(=O)N[C@@H]2C[NH2+]CC[C@H]2C)cccc1[N+](=O)[O-] ZINC000418084550 419519889 /nfs/dbraw/zinc/51/98/89/419519889.db2.gz VPDYWKDICYTDAJ-ZWNOBZJWSA-N 1 0 306.366 1.700 20 5 DDBDRO CC(C)[C@@H]([NH3+])CNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000418083310 419521311 /nfs/dbraw/zinc/52/13/11/419521311.db2.gz LHKOZKPSLYROTF-JTQLQIEISA-N 1 0 320.353 1.254 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000426852261 419557520 /nfs/dbraw/zinc/55/75/20/419557520.db2.gz YHAAPTASMXIVQT-ZDUSSCGKSA-N 1 0 307.350 1.673 20 5 DDBDRO CN(C)C(=O)[C@@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000411948239 419512466 /nfs/dbraw/zinc/51/24/66/419512466.db2.gz UOMRNIVGVCFORE-GFCCVEGCSA-N 1 0 307.350 1.384 20 5 DDBDRO C[C@H](NC(=O)N[C@H](CC[NH3+])C(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000418230498 419631795 /nfs/dbraw/zinc/63/17/95/419631795.db2.gz JKCRCYODKUXECP-GZMMTYOYSA-N 1 0 316.308 1.938 20 5 DDBDRO C[NH+](C)C1CCC(NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000422010838 419803954 /nfs/dbraw/zinc/80/39/54/419803954.db2.gz TXOXEFLPVPOBQP-UHFFFAOYSA-N 1 0 324.356 1.919 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@H]1C[NH2+]CCN1C ZINC000415296781 420012023 /nfs/dbraw/zinc/01/20/23/420012023.db2.gz NHSXPCCMMKIXBR-GFCCVEGCSA-N 1 0 321.381 1.237 20 5 DDBDRO COc1cc(C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)cc([N+](=O)[O-])c1C ZINC000423610432 420099093 /nfs/dbraw/zinc/09/90/93/420099093.db2.gz QVYWQFYVKXTLLI-TXEJJXNPSA-N 1 0 305.334 1.203 20 5 DDBDRO COc1cccc(C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC000423637495 420109199 /nfs/dbraw/zinc/10/91/99/420109199.db2.gz HHJCCFJRHJBSNU-INIZCTEOSA-N 1 0 319.361 1.819 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@@H](C)CC[NH3+] ZINC000415560220 420111239 /nfs/dbraw/zinc/11/12/39/420111239.db2.gz UTEGEIUYPMVAAB-VIFPVBQESA-N 1 0 308.338 1.004 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCO[C@H](C[NH3+])C1 ZINC000415658652 420139976 /nfs/dbraw/zinc/13/99/76/420139976.db2.gz NPMWKFQRDJKGHL-LLVKDONJSA-N 1 0 324.337 1.185 20 5 DDBDRO O=C(CC[C@H]1CCC[NH2+]1)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000423719999 420140797 /nfs/dbraw/zinc/14/07/97/420140797.db2.gz GKRSAEAATYRUJD-SECBINFHSA-N 1 0 303.322 1.942 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC([NH3+])CC1 ZINC000415666649 420141113 /nfs/dbraw/zinc/14/11/13/420141113.db2.gz XBJCABRSOLSPKJ-UHFFFAOYSA-N 1 0 308.338 1.949 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000423535852 420074711 /nfs/dbraw/zinc/07/47/11/420074711.db2.gz FRGZQFDPWRMYLZ-LBPRGKRZSA-N 1 0 307.350 1.320 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCCC[C@@H]1C(N)=O ZINC000430216877 420091503 /nfs/dbraw/zinc/09/15/03/420091503.db2.gz JKIWCDLJTOVJQE-QWHCGFSZSA-N 1 0 307.350 1.737 20 5 DDBDRO COc1ccc(NC(=O)CN2CCC[C@@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000430627076 420163498 /nfs/dbraw/zinc/16/34/98/420163498.db2.gz MBTHSJVIWSNKBT-NSHDSACASA-N 1 0 322.365 1.213 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC[C@@H](C[NH3+])C1 ZINC000430630556 420164195 /nfs/dbraw/zinc/16/41/95/420164195.db2.gz YXEAAXDEPTUKJT-LBPRGKRZSA-N 1 0 306.366 1.512 20 5 DDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](C)CCC[NH3+] ZINC000415780191 420173034 /nfs/dbraw/zinc/17/30/34/420173034.db2.gz KFOXHUWWGQIUNP-SNVBAGLBSA-N 1 0 322.365 1.339 20 5 DDBDRO Cc1nn(CCC(=O)N[C@H](C[NH3+])C(C)(C)C)c(C)c1[N+](=O)[O-] ZINC000423955964 420283327 /nfs/dbraw/zinc/28/33/27/420283327.db2.gz OHNLZLYZYYTXBI-LLVKDONJSA-N 1 0 311.386 1.288 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC([C@@H](C)[NH3+])CC1 ZINC000430944807 420217566 /nfs/dbraw/zinc/21/75/66/420217566.db2.gz OBEBBAGNJMAEPX-GFCCVEGCSA-N 1 0 320.393 1.901 20 5 DDBDRO CCCc1n[nH]c(C(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC000424015914 420306541 /nfs/dbraw/zinc/30/65/41/420306541.db2.gz NIMYRURNZZBLPF-ZJUUUORDSA-N 1 0 309.370 1.327 20 5 DDBDRO C[NH+](C)C1(CNC(=O)CSc2ccc([N+](=O)[O-])cc2)CC1 ZINC000416294487 420310629 /nfs/dbraw/zinc/31/06/29/420310629.db2.gz YLWRSODMFAUORC-UHFFFAOYSA-N 1 0 309.391 1.897 20 5 DDBDRO Cc1cc(S(=O)(=O)N[C@@H](C[NH3+])C(C)(C)C)ccc1[N+](=O)[O-] ZINC000420445867 420291540 /nfs/dbraw/zinc/29/15/40/420291540.db2.gz GGKZTATWASYKJV-LBPRGKRZSA-N 1 0 315.395 1.555 20 5 DDBDRO COc1ccc(OCC[N@@H+]2C[C@H](C)C[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC000452069491 420620772 /nfs/dbraw/zinc/62/07/72/420620772.db2.gz PZPKGFHNALMULA-VXGBXAGGSA-N 1 0 310.350 1.685 20 5 DDBDRO COC(=O)[C@@H](O)C1CC[NH+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000441230718 420641968 /nfs/dbraw/zinc/64/19/68/420641968.db2.gz JTXWTDMZVDKGNC-ABAIWWIYSA-N 1 0 322.361 1.902 20 5 DDBDRO C[NH+](C)C1(CNc2ncnc3cccc([N+](=O)[O-])c32)CCC1 ZINC000445607362 420760632 /nfs/dbraw/zinc/76/06/32/420760632.db2.gz GTUGXNLRHAVNPR-UHFFFAOYSA-N 1 0 301.350 2.434 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCNc1cnccn1)CCC2 ZINC000447582153 420783759 /nfs/dbraw/zinc/78/37/59/420783759.db2.gz YFXFSJHVKJXWFV-OAHLLOKOSA-N 1 0 313.361 2.464 20 5 DDBDRO Cn1cnc(CC[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)n1 ZINC000447588573 420784592 /nfs/dbraw/zinc/78/45/92/420784592.db2.gz VLZYHACXSZECMK-NEPJUHHUSA-N 1 0 319.369 1.236 20 5 DDBDRO C[C@H]([NH2+][C@H](CO)[C@@H]1CCCO1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000447912275 420816140 /nfs/dbraw/zinc/81/61/40/420816140.db2.gz JSMLNMWIQIEPIU-GDLCADMTSA-N 1 0 323.349 1.051 20 5 DDBDRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)Nc1ccc([N+](=O)[O-])cc1 ZINC000454269363 420827011 /nfs/dbraw/zinc/82/70/11/420827011.db2.gz FNSCDMOKEDHGAP-AWEZNQCLSA-N 1 0 322.365 1.563 20 5 DDBDRO O=C(/C=C\c1ccc(F)cc1[N+](=O)[O-])N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000493662356 420909686 /nfs/dbraw/zinc/90/96/86/420909686.db2.gz YTDHVJPOVHMTGM-ZENLRNHISA-N 1 0 319.336 1.959 20 5 DDBDRO Nc1c(C(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cccc1[N+](=O)[O-] ZINC000449202459 420969572 /nfs/dbraw/zinc/96/95/72/420969572.db2.gz FNJMFNISHVNOIE-NWDGAFQWSA-N 1 0 318.377 1.639 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCN(CCO)C[C@H]1C ZINC000455200296 420982048 /nfs/dbraw/zinc/98/20/48/420982048.db2.gz VJMGOEJDVFQUJN-GFCCVEGCSA-N 1 0 322.365 1.434 20 5 DDBDRO CNc1nc(C(=O)N(C)CC2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000455437343 421013392 /nfs/dbraw/zinc/01/33/92/421013392.db2.gz AHABEUJAJKNRMQ-UHFFFAOYSA-N 1 0 321.381 1.445 20 5 DDBDRO C[C@@H]([NH3+])[C@H](C)NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000449585301 421032333 /nfs/dbraw/zinc/03/23/33/421032333.db2.gz FWYLQIBVOYJDNC-ZJUUUORDSA-N 1 0 303.322 1.246 20 5 DDBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])c(NC)n2)C[C@H]1C ZINC000456006770 421088112 /nfs/dbraw/zinc/08/81/12/421088112.db2.gz CCMFUHDDPZHRBU-GHMZBOCLSA-N 1 0 321.381 1.586 20 5 DDBDRO CNc1nc(C(=O)NC2(C[NH+](C)C)CCC2)ccc1[N+](=O)[O-] ZINC000456029656 421090725 /nfs/dbraw/zinc/09/07/25/421090725.db2.gz FKOMUMPSLQUENS-UHFFFAOYSA-N 1 0 307.354 1.246 20 5 DDBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000449739771 421071660 /nfs/dbraw/zinc/07/16/60/421071660.db2.gz MEEUMTPUVHKFCF-MFKMUULPSA-N 1 0 307.375 1.507 20 5 DDBDRO CN(c1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CC[NH+](CCO)CC1 ZINC000450312502 421180511 /nfs/dbraw/zinc/18/05/11/421180511.db2.gz MGOHAUAUCQEDPM-UHFFFAOYSA-N 1 0 319.365 1.364 20 5 DDBDRO COCC[N@H+](CCOc1ccccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000490047927 421186867 /nfs/dbraw/zinc/18/68/67/421186867.db2.gz UIAHOWLYCFDBOA-ZDUSSCGKSA-N 1 0 310.350 1.711 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]Cc2ccccn2)c1 ZINC000560269754 421242070 /nfs/dbraw/zinc/24/20/70/421242070.db2.gz WAKQPGLNDMYBQS-AWEZNQCLSA-N 1 0 303.318 1.519 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CCc1ccccn1 ZINC000561750197 421334651 /nfs/dbraw/zinc/33/46/51/421334651.db2.gz SMBHSSSBXMTSRC-AWEZNQCLSA-N 1 0 317.345 1.562 20 5 DDBDRO Cc1cc(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)n(C)n1 ZINC000514857133 421460788 /nfs/dbraw/zinc/46/07/88/421460788.db2.gz ZQKOPSKPYXSNIN-CQSZACIVSA-N 1 0 320.349 1.166 20 5 DDBDRO [NH3+][C@H]1CCN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000563158880 421465378 /nfs/dbraw/zinc/46/53/78/421465378.db2.gz YCPPVXSNPMOGPE-ZDUSSCGKSA-N 1 0 318.377 1.371 20 5 DDBDRO C[N@@H+]1CC[C@H](NC(=O)c2c[nH]nc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000548955263 421488639 /nfs/dbraw/zinc/48/86/39/421488639.db2.gz ZACBQHAHPAFBLT-STQMWFEESA-N 1 0 315.333 1.493 20 5 DDBDRO COCC[NH2+]C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000516874385 421574728 /nfs/dbraw/zinc/57/47/28/421574728.db2.gz DGTYYQAWSACACH-UHFFFAOYSA-N 1 0 321.377 1.744 20 5 DDBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])cn1C)[N@@H+]1CCCC[C@@H]1C ZINC000518219674 421645990 /nfs/dbraw/zinc/64/59/90/421645990.db2.gz KWOKYFZKZOMHLP-RYUDHWBXSA-N 1 0 308.382 1.926 20 5 DDBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000518313422 421646494 /nfs/dbraw/zinc/64/64/94/421646494.db2.gz AVAQGOUMYAXZHL-CYBMUJFWSA-N 1 0 322.365 1.367 20 5 DDBDRO CNc1nccc(C(=O)NCC[N@H+](C)C2CCCC2)c1[N+](=O)[O-] ZINC000571223179 421697517 /nfs/dbraw/zinc/69/75/17/421697517.db2.gz SKIQUBIXDXCMOY-UHFFFAOYSA-N 1 0 321.381 1.636 20 5 DDBDRO CC[NH+](CC)CC[C@H](CO)NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000535835710 421711506 /nfs/dbraw/zinc/71/15/06/421711506.db2.gz KWWZAVNNHOODOM-CQSZACIVSA-N 1 0 323.393 1.346 20 5 DDBDRO CCc1ccc(C(=O)NCCOCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000537547320 421730257 /nfs/dbraw/zinc/73/02/57/421730257.db2.gz LNSBCWDVPHBJNI-UHFFFAOYSA-N 1 0 309.366 1.465 20 5 DDBDRO CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000570823143 421671308 /nfs/dbraw/zinc/67/13/08/421671308.db2.gz IIRUFYPNYNHLON-NSHDSACASA-N 1 0 321.381 1.518 20 5 DDBDRO CCCc1n[nH]c(C(=O)N2[C@@H]3CC[C@H]2CC[N@@H+](C)C3)c1[N+](=O)[O-] ZINC000521988069 421810214 /nfs/dbraw/zinc/81/02/14/421810214.db2.gz FLBSVNJCRMWWQQ-WDEREUQCSA-N 1 0 321.381 1.579 20 5 DDBDRO [NH3+]CCC1CCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000521056250 421771604 /nfs/dbraw/zinc/77/16/04/421771604.db2.gz XATQGQWAWLCZLN-UHFFFAOYSA-N 1 0 320.393 1.908 20 5 DDBDRO C[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000541349086 421791141 /nfs/dbraw/zinc/79/11/41/421791141.db2.gz QHRWNWNTMHZFTP-CYBMUJFWSA-N 1 0 310.350 1.445 20 5 DDBDRO [NH3+]C[C@@H]1CC[C@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000573000060 421894792 /nfs/dbraw/zinc/89/47/92/421894792.db2.gz KRMLSCXMIKFFDZ-ZJUUUORDSA-N 1 0 321.333 1.223 20 5 DDBDRO C[C@@H]1Oc2ccccc2[C@@H]1[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000574270756 422085184 /nfs/dbraw/zinc/08/51/84/422085184.db2.gz KAFZKLYAKIMREW-ITDIGPHOSA-N 1 0 318.333 1.264 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC(CC[NH3+])CC1 ZINC000574921997 422218602 /nfs/dbraw/zinc/21/86/02/422218602.db2.gz YZMJQRINSMSZTN-UHFFFAOYSA-N 1 0 320.393 1.903 20 5 DDBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC(CC[NH3+])CC1 ZINC000575755697 422321442 /nfs/dbraw/zinc/32/14/42/422321442.db2.gz WHUMTICJMDKWHN-LBPRGKRZSA-N 1 0 320.393 1.983 20 5 DDBDRO Nc1n[nH]c(C2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)n1 ZINC000590601452 422322639 /nfs/dbraw/zinc/32/26/39/422322639.db2.gz XKEIXSKKTHASNJ-UHFFFAOYSA-N 1 0 302.338 1.675 20 5 DDBDRO CC[C@@H]1C[N@H+](C)CCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000578589560 422602324 /nfs/dbraw/zinc/60/23/24/422602324.db2.gz ZVUCRLSZDBDBCQ-UKRRQHHQSA-N 1 0 323.393 1.361 20 5 DDBDRO CC[N@H+](CCO)CCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000183918624 263383058 /nfs/dbraw/zinc/38/30/58/263383058.db2.gz MINOZUBZJMKLNA-UHFFFAOYSA-N 1 0 315.757 1.292 20 5 DDBDRO [NH3+]CCC1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000315587258 271013755 /nfs/dbraw/zinc/01/37/55/271013755.db2.gz LTHHIFIHFMFGOI-UHFFFAOYSA-N 1 0 306.366 1.594 20 5 DDBDRO C[NH+](C)CCc1ccc(NC(=O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000341712568 271183217 /nfs/dbraw/zinc/18/32/17/271183217.db2.gz LMYTYGDPGDBPOL-UHFFFAOYSA-N 1 0 317.349 1.534 20 5 DDBDRO Cn1nc([N+](=O)[O-])cc1C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000344650267 272079616 /nfs/dbraw/zinc/07/96/16/272079616.db2.gz WSCPQTMEOUJZFR-NSHDSACASA-N 1 0 309.370 1.179 20 5 DDBDRO O=C(CCn1cc([N+](=O)[O-])cn1)NCCC[NH2+]C1CCCCC1 ZINC000345846516 272348976 /nfs/dbraw/zinc/34/89/76/272348976.db2.gz HRUFSSLRFDZIJM-UHFFFAOYSA-N 1 0 323.397 1.610 20 5 DDBDRO C[NH+](C)[C@@H]1CCCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C1 ZINC000281097936 273807267 /nfs/dbraw/zinc/80/72/67/273807267.db2.gz DVWAWHJGXSFMPT-LLVKDONJSA-N 1 0 317.349 1.774 20 5 DDBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]Cc1nccn1C ZINC000268902856 274206463 /nfs/dbraw/zinc/20/64/63/274206463.db2.gz MQUJHINXKXPBEA-NSHDSACASA-N 1 0 317.349 1.835 20 5 DDBDRO O=[N+]([O-])c1ccc(C[NH2+]C2(CO)CCOCC2)c([N+](=O)[O-])c1 ZINC000284219611 275035564 /nfs/dbraw/zinc/03/55/64/275035564.db2.gz UGPDDGANQRBPRD-UHFFFAOYSA-N 1 0 311.294 1.134 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCS(=O)(=O)C1)CCC2 ZINC000278354963 275037935 /nfs/dbraw/zinc/03/79/35/275037935.db2.gz ZRIGKXQSKBSKEY-ABAIWWIYSA-N 1 0 324.402 1.997 20 5 DDBDRO CC[N@@H+]1CC[C@@H]2OCCN(Cc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000339395812 276220650 /nfs/dbraw/zinc/22/06/50/276220650.db2.gz LYMRGMPUKVYWSK-HOTGVXAUSA-N 1 0 305.378 1.890 20 5 DDBDRO COC(=O)c1cnc(N2CCC([NH2+]C(C)C)CC2)c([N+](=O)[O-])c1 ZINC000190171754 277167950 /nfs/dbraw/zinc/16/79/50/277167950.db2.gz TZOGBFHSEDAXIQ-UHFFFAOYSA-N 1 0 322.365 1.743 20 5 DDBDRO C[NH2+]C[C@@H]1CCCN1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000430594365 277278833 /nfs/dbraw/zinc/27/88/33/277278833.db2.gz VLXOSYLGHMRKBL-ZDUSSCGKSA-N 1 0 320.393 1.916 20 5 DDBDRO C[C@@H]([NH3+])[C@H](C)NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000449584492 278315605 /nfs/dbraw/zinc/31/56/05/278315605.db2.gz DCDKTXJAFICTTH-VGMNWLOBSA-N 1 0 315.757 1.867 20 5 DDBDRO C[C@H](Cn1cc(Br)cc([N+](=O)[O-])c1=O)[NH+](C)C ZINC000331088150 279385077 /nfs/dbraw/zinc/38/50/77/279385077.db2.gz RQFXXXINEBZOSQ-SSDOTTSWSA-N 1 0 304.144 1.469 20 5 DDBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1c([N+](=O)[O-])cnn1C ZINC000408121486 280100872 /nfs/dbraw/zinc/10/08/72/280100872.db2.gz ODBQZITVONVRHH-QWRGUYRKSA-N 1 0 307.354 1.027 20 5 DDBDRO CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000056196720 280900985 /nfs/dbraw/zinc/90/09/85/280900985.db2.gz HFFCFZRIZQLSFV-WDEREUQCSA-N 1 0 322.365 1.868 20 5 DDBDRO CC(C)[NH+]1CCC(NC(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000068200176 280932598 /nfs/dbraw/zinc/93/25/98/280932598.db2.gz QTNSVZJFJOTGNX-UHFFFAOYSA-N 1 0 320.393 1.996 20 5 DDBDRO C[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C[C@H]1CCCCO1 ZINC000126038390 281224253 /nfs/dbraw/zinc/22/42/53/281224253.db2.gz KGURSSPIIOIYIP-GOEBONIOSA-N 1 0 324.377 1.835 20 5 DDBDRO Cc1nn(C)c(C(=O)NCC[NH+](C(C)C)C(C)C)c1[N+](=O)[O-] ZINC000128538875 281314340 /nfs/dbraw/zinc/31/43/40/281314340.db2.gz JKKJUQLNECGBAL-UHFFFAOYSA-N 1 0 311.386 1.485 20 5 DDBDRO CCOc1cc(C(=O)N2CC[C@H]([NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000132285688 281447315 /nfs/dbraw/zinc/44/73/15/281447315.db2.gz NNQYVXWGOIHFDK-VIFPVBQESA-N 1 0 309.322 1.175 20 5 DDBDRO C[C@H]([NH2+]C[C@@H]1CC[C@@H](C(=O)N(C)C)O1)c1ccc([N+](=O)[O-])cc1 ZINC000246000726 281944269 /nfs/dbraw/zinc/94/42/69/281944269.db2.gz JBWRYHYPIMMCSQ-CQDKDKBSSA-N 1 0 321.377 1.881 20 5 DDBDRO C[C@H](CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)C[NH+]1CCCC1 ZINC000102335021 289636346 /nfs/dbraw/zinc/63/63/46/289636346.db2.gz HCFVYJIWVIGCKM-GFCCVEGCSA-N 1 0 323.397 1.375 20 5 DDBDRO C[C@@H]1CN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])[C@H](C)C[NH2+]1 ZINC000129771542 297065132 /nfs/dbraw/zinc/06/51/32/297065132.db2.gz PKXHEHYMDVYVOM-RKDXNWHRSA-N 1 0 317.342 1.105 20 5 DDBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCC[NH2+]1 ZINC000417710363 295640924 /nfs/dbraw/zinc/64/09/24/295640924.db2.gz CBLBDOLDEZAROO-AWEZNQCLSA-N 1 0 320.393 1.969 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H](C)Cn1cccn1 ZINC000354924525 298566032 /nfs/dbraw/zinc/56/60/32/298566032.db2.gz WCNVMNGKISHYNL-GFCCVEGCSA-N 1 0 317.349 1.717 20 5 DDBDRO COc1cc(CN2CCOC[C@H]2C[C@@H](C)O)ccc1[N+](=O)[O-] ZINC000362276583 300041514 /nfs/dbraw/zinc/04/15/14/300041514.db2.gz CUPSXDBUDQJETG-DGCLKSJQSA-N 1 0 310.350 1.575 20 5 DDBDRO O=[N+]([O-])c1cc(CN2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cs1 ZINC000363707845 300300679 /nfs/dbraw/zinc/30/06/79/300300679.db2.gz BAKPSZYKDNBLRN-STQMWFEESA-N 1 0 311.407 1.687 20 5 DDBDRO [NH2+]=C(NO)[C@@H]1CCCCN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000363783566 300307320 /nfs/dbraw/zinc/30/73/20/300307320.db2.gz WZFYSDAUWZCMMS-LBPRGKRZSA-N 1 0 321.337 1.344 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)n1 ZINC000366219553 300661821 /nfs/dbraw/zinc/66/18/21/300661821.db2.gz AVNJTWPKCFRRNP-OCCSQVGLSA-N 1 0 306.366 1.334 20 5 DDBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000368372792 301013437 /nfs/dbraw/zinc/01/34/37/301013437.db2.gz BYQPJTIZMHVCNU-WCQYABFASA-N 1 0 305.334 1.184 20 5 DDBDRO CC1(C)C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]2CCC[C@H]2O1 ZINC000368521638 301047892 /nfs/dbraw/zinc/04/78/92/301047892.db2.gz HJUXUHPKLRDUOJ-BFHYXJOUSA-N 1 0 324.381 1.184 20 5 DDBDRO COC(=O)CN1CCC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000370030438 301261877 /nfs/dbraw/zinc/26/18/77/301261877.db2.gz YMQBZJKWNWKWGP-ZDUSSCGKSA-N 1 0 321.377 1.837 20 5 DDBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000372869318 301626453 /nfs/dbraw/zinc/62/64/53/301626453.db2.gz JSDNADVHCXRRJJ-OLZOCXBDSA-N 1 0 319.361 1.574 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000215994061 302046564 /nfs/dbraw/zinc/04/65/64/302046564.db2.gz CJYOCTUATPMQSR-WDEREUQCSA-N 1 0 313.379 1.261 20 5 DDBDRO C[C@@H]1C[C@@H](C)N(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000397318190 302353365 /nfs/dbraw/zinc/35/33/65/302353365.db2.gz MCIQNUJOSRLGSM-JTNHKYCSSA-N 1 0 320.393 1.499 20 5 DDBDRO C[C@H]([NH2+][C@@H]1CCN(S(C)(=O)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000400235855 302369054 /nfs/dbraw/zinc/36/90/54/302369054.db2.gz UVTZACQIVOIASB-CMPLNLGQSA-N 1 0 313.379 1.279 20 5 DDBDRO COc1ccc(NC(=O)[C@@H](C)N2CC[NH2+][C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000420340588 302383055 /nfs/dbraw/zinc/38/30/55/302383055.db2.gz SVOQWHSFZOKCJM-WDEREUQCSA-N 1 0 322.365 1.224 20 5 DDBDRO C[NH2+]C[C@H](C)CNS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000420442845 302384723 /nfs/dbraw/zinc/38/47/23/302384723.db2.gz FHEGNYPVAVIZDY-JTQLQIEISA-N 1 0 315.395 1.345 20 5 DDBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1ccc([N+](=O)[O-])n1C ZINC000356300536 306847057 /nfs/dbraw/zinc/84/70/57/306847057.db2.gz OUKZSHYDNPETKN-RYUDHWBXSA-N 1 0 306.366 1.632 20 5 DDBDRO CCc1ccc(S(=O)(=O)N(C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000515299651 302770956 /nfs/dbraw/zinc/77/09/56/302770956.db2.gz SQLWAFMJEIZDMV-UHFFFAOYSA-N 1 0 315.395 1.339 20 5 DDBDRO O=[N+]([O-])c1ccc2[nH]c(CN3CC[NH+](C4CC4)CC3)nc2c1 ZINC000516143394 302784172 /nfs/dbraw/zinc/78/41/72/302784172.db2.gz ZLGPNVKWKAJGOG-UHFFFAOYSA-N 1 0 301.350 1.751 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)NCC[N@@H+]2CC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000532913477 303301864 /nfs/dbraw/zinc/30/18/64/303301864.db2.gz FHWDBHZJXBSXAP-SNVBAGLBSA-N 1 0 309.370 1.513 20 5 DDBDRO CN(CC1([NH+](C)C)CCC1)c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000357705258 306908092 /nfs/dbraw/zinc/90/80/92/306908092.db2.gz NNCHTGQDYIIQGV-UHFFFAOYSA-N 1 0 307.354 1.009 20 5 DDBDRO O=C(c1c[nH]nc1[N+](=O)[O-])N1CC[NH+](C2CCCCC2)CC1 ZINC000548964841 303600382 /nfs/dbraw/zinc/60/03/82/303600382.db2.gz PYNOIBSPAWIKSN-UHFFFAOYSA-N 1 0 307.354 1.408 20 5 DDBDRO CC(C)NC(=O)NCC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000563052793 303917455 /nfs/dbraw/zinc/91/74/55/303917455.db2.gz RXQJIHQAXSPZNJ-UHFFFAOYSA-N 1 0 324.385 1.136 20 5 DDBDRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000563165041 303927883 /nfs/dbraw/zinc/92/78/83/303927883.db2.gz ZYRYPSSNFFZIIW-SCZZXKLOSA-N 1 0 307.306 1.051 20 5 DDBDRO COC(=O)c1cnc(N2CC[C@H]3CC[N@H+](C)[C@H]3C2)c([N+](=O)[O-])c1 ZINC000365078311 307057992 /nfs/dbraw/zinc/05/79/92/307057992.db2.gz STZDXCWYRUIEIG-MFKMUULPSA-N 1 0 320.349 1.307 20 5 DDBDRO C[NH+](C)[C@H]1CCCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000365404461 307066649 /nfs/dbraw/zinc/06/66/49/307066649.db2.gz PZIINUCMQYKYJT-AWEZNQCLSA-N 1 0 320.393 1.610 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1CN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000366633686 307078116 /nfs/dbraw/zinc/07/81/16/307078116.db2.gz CKYCFGSEKRTCIW-OCCSQVGLSA-N 1 0 319.409 1.777 20 5 DDBDRO CCCc1n[nH]c(C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1[N+](=O)[O-] ZINC000368615218 307106414 /nfs/dbraw/zinc/10/64/14/307106414.db2.gz UBACVBSOXWMGML-GARJFASQSA-N 1 0 321.381 1.470 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1CN1CCN2C(=O)N(C)C[C@@H]2C1 ZINC000369684005 307126717 /nfs/dbraw/zinc/12/67/17/307126717.db2.gz RDGYWXPJHZFSEG-CQSZACIVSA-N 1 0 304.350 1.455 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000371226362 307145455 /nfs/dbraw/zinc/14/54/55/307145455.db2.gz BCVMEZSAEJVXME-SWLSCSKDSA-N 1 0 318.377 1.902 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1CN1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000373973974 307198728 /nfs/dbraw/zinc/19/87/28/307198728.db2.gz CLLMSHQCONJHFL-ZBINZKHDSA-N 1 0 319.361 1.689 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H]1CCCC[C@H]1[NH3+] ZINC000424336838 307301368 /nfs/dbraw/zinc/30/13/68/307301368.db2.gz REGYJCCVBIZRJH-VXGBXAGGSA-N 1 0 322.365 1.401 20 5 DDBDRO O=C(c1ccc([N+](=O)[O-])cn1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000531628940 307620514 /nfs/dbraw/zinc/62/05/14/307620514.db2.gz DVTMZJXXOUPEQY-CYBMUJFWSA-N 1 0 304.350 1.690 20 5 DDBDRO C[C@H]([NH2+]C[C@@H](O)COC[C@H]1CCCO1)c1ccccc1[N+](=O)[O-] ZINC000553407096 307830384 /nfs/dbraw/zinc/83/03/84/307830384.db2.gz XWIDHAGSALNVLJ-BFHYXJOUSA-N 1 0 324.377 1.802 20 5 DDBDRO C[C@@H]1CC[C@H](C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])O1 ZINC000567697063 308091875 /nfs/dbraw/zinc/09/18/75/308091875.db2.gz NVEOALUZMPSOKJ-FRRDWIJNSA-N 1 0 310.350 1.492 20 5 DDBDRO COCC[N@H+](C)C[C@H](O)CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000574168849 308264024 /nfs/dbraw/zinc/26/40/24/308264024.db2.gz KUTFCXRCVTYYPU-SWLSCSKDSA-N 1 0 311.382 1.185 20 5 DDBDRO CC1(C)C[C@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000576149245 308292595 /nfs/dbraw/zinc/29/25/95/308292595.db2.gz PMUSNOBBCLFBKB-OLZOCXBDSA-N 1 0 324.377 1.882 20 5 DDBDRO C[C@H](CN1CCOCC1)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000577529763 308396396 /nfs/dbraw/zinc/39/63/96/308396396.db2.gz YZOQZTFUZDCTPP-DOMZBBRYSA-N 1 0 305.378 1.892 20 5 DDBDRO CCN1C[C@@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1=O ZINC000583317484 337314617 /nfs/dbraw/zinc/31/46/17/337314617.db2.gz KMTBXWKSYPSXLS-NSHDSACASA-N 1 0 320.349 1.134 20 5 DDBDRO O=[N+]([O-])c1ccc2ncnc(NC[C@@H]3CSCC[NH2+]3)c2c1 ZINC000603418989 483933877 /nfs/dbraw/zinc/93/38/77/483933877.db2.gz KQUUZNYVYSIMGU-SECBINFHSA-N 1 0 305.363 1.655 20 5 DDBDRO CC[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000361591239 484521752 /nfs/dbraw/zinc/52/17/52/484521752.db2.gz YPNRDUHHDYWNKI-CHWSQXEVSA-N 1 0 310.350 1.445 20 5 DDBDRO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C[C@H](C)[NH2+]1 ZINC000422832548 533878211 /nfs/dbraw/zinc/87/82/11/533878211.db2.gz XXOMVRQBSYNTMP-QWRGUYRKSA-N 1 0 314.345 1.965 20 5 DDBDRO COC(=O)c1cc(NC(=O)[C@@H]([NH3+])C2CCC2)cc([N+](=O)[O-])c1 ZINC000423003514 533881109 /nfs/dbraw/zinc/88/11/09/533881109.db2.gz MOLXTVKPSIIYHY-LBPRGKRZSA-N 1 0 307.306 1.447 20 5 DDBDRO C[C@@H]1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000424022225 533943985 /nfs/dbraw/zinc/94/39/85/533943985.db2.gz UUSLDJSCGOZOCI-TZMCWYRMSA-N 1 0 305.378 1.971 20 5 DDBDRO Cc1c([C@@H](C)[NH2+][C@@H]2CCC(=O)N(C)C2=O)cccc1[N+](=O)[O-] ZINC000424314466 533948263 /nfs/dbraw/zinc/94/82/63/533948263.db2.gz KQAUJJZHRAVJJS-ZYHUDNBSSA-N 1 0 305.334 1.701 20 5 DDBDRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000419000364 533987983 /nfs/dbraw/zinc/98/79/83/533987983.db2.gz OGAHVCDWMXBZHS-QWRGUYRKSA-N 1 0 319.365 1.362 20 5 DDBDRO C[C@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C[NH+](C)C ZINC000292630613 534121125 /nfs/dbraw/zinc/12/11/25/534121125.db2.gz MRESALLRGHNWIY-SNVBAGLBSA-N 1 0 301.368 1.071 20 5 DDBDRO COC(=O)c1cnc(NC[C@H]2CCC[C@@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000420282860 534306846 /nfs/dbraw/zinc/30/68/46/534306846.db2.gz NJZPPVXYKLVQHJ-GXSJLCMTSA-N 1 0 308.338 1.706 20 5 DDBDRO CC(C)[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000160366943 519802066 /nfs/dbraw/zinc/80/20/66/519802066.db2.gz JITTYCOZUNRPLA-SOUVJXGZSA-N 1 0 310.398 1.957 20 5 DDBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000417234148 534462315 /nfs/dbraw/zinc/46/23/15/534462315.db2.gz PIZOWCAQXRNKEN-UONOGXRCSA-N 1 0 318.377 1.388 20 5 DDBDRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000449618040 534571282 /nfs/dbraw/zinc/57/12/82/534571282.db2.gz ARJNPNYKXNFMRZ-ZAQWFSBCSA-N 1 0 303.362 1.769 20 5 DDBDRO O=C(NC[C@@H]1CCC[NH2+]C1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000422765072 534577354 /nfs/dbraw/zinc/57/73/54/534577354.db2.gz QDEIUGGWTXCMSK-LLVKDONJSA-N 1 0 314.345 1.872 20 5 DDBDRO CC(C)(C)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000331017171 526314255 /nfs/dbraw/zinc/31/42/55/526314255.db2.gz PUHVYBUSKTZPPN-VXGBXAGGSA-N 1 0 323.397 1.779 20 5 DDBDRO O=C(Cn1c2ccccc2c(=O)c2ccccc21)N[C@H]1CC[NH2+]C1 ZINC000126700739 527359455 /nfs/dbraw/zinc/35/94/55/527359455.db2.gz FCCOWDZDORYXJH-ZDUSSCGKSA-N 1 0 321.380 1.633 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000423754202 528694257 /nfs/dbraw/zinc/69/42/57/528694257.db2.gz ZCNDEMNDDSLARA-MNOVXSKESA-N 1 0 307.350 1.851 20 5 DDBDRO CC[N@@H+]1CCC[C@@H](Nc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 ZINC000821254661 606701229 /nfs/dbraw/zinc/70/12/29/606701229.db2.gz OFNLYDRCDBIFEL-SECBINFHSA-N 1 0 318.341 1.066 20 5 DDBDRO CC[N@H+](CCNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-])C1CC1 ZINC000821214817 606706186 /nfs/dbraw/zinc/70/61/86/606706186.db2.gz MCPSLBRJINCUMM-UHFFFAOYSA-N 1 0 318.341 1.066 20 5 DDBDRO C[NH+](C)CCNC(=S)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000746531574 700029056 /nfs/dbraw/zinc/02/90/56/700029056.db2.gz FDEQLCVVPDFLEB-UHFFFAOYSA-N 1 0 322.434 1.995 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N(C)[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000058233574 696302793 /nfs/dbraw/zinc/30/27/93/696302793.db2.gz OQCKELXXLAVGOZ-JTQLQIEISA-N 1 0 308.294 1.245 20 5 DDBDRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)c1cc(F)ccc1[N+](=O)[O-] ZINC000108298493 696633393 /nfs/dbraw/zinc/63/33/93/696633393.db2.gz NDQRTCFYLXDGDM-GFCCVEGCSA-N 1 0 307.325 1.948 20 5 DDBDRO C[N@@H+]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000108342960 696633600 /nfs/dbraw/zinc/63/36/00/696633600.db2.gz NOQQHHRJWJYGMF-JTQLQIEISA-N 1 0 322.321 1.575 20 5 DDBDRO CC[C@](C)(CC(=O)OC)[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000134050526 696833053 /nfs/dbraw/zinc/83/30/53/696833053.db2.gz MKLKNMUGAOHXLJ-OAHLLOKOSA-N 1 0 323.349 1.855 20 5 DDBDRO CNC(=O)CCC[N@H+](C)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000157008883 696972005 /nfs/dbraw/zinc/97/20/05/696972005.db2.gz RHWHRAMJWQRCDA-UHFFFAOYSA-N 1 0 305.338 1.360 20 5 DDBDRO C[C@@H]1[C@@H](C)CCN1CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000174952609 697393395 /nfs/dbraw/zinc/39/33/95/697393395.db2.gz AWNBXGXLOQDYFW-VHSXEESVSA-N 1 0 303.318 1.879 20 5 DDBDRO CCOc1cc(C(=O)N2CC[C@H](C[NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000178526820 697425536 /nfs/dbraw/zinc/42/55/36/697425536.db2.gz TZJYISIIHCNHRA-SNVBAGLBSA-N 1 0 323.349 1.423 20 5 DDBDRO Cc1cc(C)c(S(=O)(=O)N[C@@H](C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000193293683 697658754 /nfs/dbraw/zinc/65/87/54/697658754.db2.gz MKHRGEOILZKOSK-NSHDSACASA-N 1 0 313.379 1.227 20 5 DDBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](CO)C1CC1 ZINC000772986146 697701143 /nfs/dbraw/zinc/70/11/43/697701143.db2.gz AISFMWYJJZAJBT-YGRLFVJLSA-N 1 0 307.350 1.672 20 5 DDBDRO CNC(=O)[C@H]1CCC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776582442 698121735 /nfs/dbraw/zinc/12/17/35/698121735.db2.gz QOYVJOBTSZLIDS-GXTWGEPZSA-N 1 0 307.350 1.086 20 5 DDBDRO Cc1nn(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c(C)c1[N+](=O)[O-] ZINC000247045969 698360081 /nfs/dbraw/zinc/36/00/81/698360081.db2.gz MZAGRNWYCZOTBP-UONOGXRCSA-N 1 0 307.398 1.782 20 5 DDBDRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000779568947 698437869 /nfs/dbraw/zinc/43/78/69/698437869.db2.gz ZNJOVVHFNFPSPQ-CHWSQXEVSA-N 1 0 322.321 1.716 20 5 DDBDRO O=C1NCC2(CC[NH+](CCOc3ccc([N+](=O)[O-])cc3)CC2)O1 ZINC000781996087 698671009 /nfs/dbraw/zinc/67/10/09/698671009.db2.gz YJJWVLRZMPHJOM-UHFFFAOYSA-N 1 0 321.333 1.548 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@@H](CO)C2CCOCC2)cc1 ZINC000782530371 698734820 /nfs/dbraw/zinc/73/48/20/698734820.db2.gz UWXWQKMJOIAMAU-GJZGRUSLSA-N 1 0 310.350 1.005 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000424023319 699147467 /nfs/dbraw/zinc/14/74/67/699147467.db2.gz FOOYOLGDJSIKIH-OAHLLOKOSA-N 1 0 305.334 1.328 20 5 DDBDRO COCCN1CCC([NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000788563809 699324343 /nfs/dbraw/zinc/32/43/43/699324343.db2.gz NWJPDLPOPIKBCY-GFCCVEGCSA-N 1 0 322.409 1.938 20 5 DDBDRO COC1CCN(CC[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000788624895 699328670 /nfs/dbraw/zinc/32/86/70/699328670.db2.gz HXVTYUXEAANBOE-GFCCVEGCSA-N 1 0 322.409 1.938 20 5 DDBDRO CC[N@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)CC(=O)NC ZINC000735868540 699707534 /nfs/dbraw/zinc/70/75/34/699707534.db2.gz SABMKXXQWBQZGJ-UHFFFAOYSA-N 1 0 322.365 1.300 20 5 DDBDRO CC(C)[C@H](C[NH+](C)C)NC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000801897431 700351260 /nfs/dbraw/zinc/35/12/60/700351260.db2.gz FXFQTZSEGHTCLK-LBPRGKRZSA-N 1 0 312.345 1.632 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)C1([NH+](C)C)CCC1 ZINC000763027644 700920629 /nfs/dbraw/zinc/92/06/29/700920629.db2.gz ALSIPNBIRRAXGZ-UHFFFAOYSA-N 1 0 307.350 1.704 20 5 DDBDRO O=[N+]([O-])c1cccc([N+](=O)[O-])c1NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000804396398 701185985 /nfs/dbraw/zinc/18/59/85/701185985.db2.gz HFJVLQHZTHVVKU-MNOVXSKESA-N 1 0 322.321 1.778 20 5 DDBDRO C[C@@H](CN1CC[NH+](C)CC1)Nc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000804441059 701190147 /nfs/dbraw/zinc/19/01/47/701190147.db2.gz ZPJORGCWHYBJRW-NSHDSACASA-N 1 0 323.353 1.551 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](CCO)C1CC1 ZINC000771797448 701330972 /nfs/dbraw/zinc/33/09/72/701330972.db2.gz ADGMMDGSCKXBCP-GFCCVEGCSA-N 1 0 323.349 1.293 20 5 DDBDRO CC[NH+](CC)CCOC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000772168632 701345186 /nfs/dbraw/zinc/34/51/86/701345186.db2.gz ZDWMIGHLVLLMSQ-UHFFFAOYSA-N 1 0 309.366 1.916 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000866076441 706612104 /nfs/dbraw/zinc/61/21/04/706612104.db2.gz RKIVLWZIVXHWMG-UHFFFAOYSA-N 1 0 320.393 1.881 20 5 DDBDRO C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000839700087 701789543 /nfs/dbraw/zinc/78/95/43/701789543.db2.gz JIUGHIHINDJBTI-LCGIIJARSA-N 1 0 317.389 1.821 20 5 DDBDRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839708466 701792131 /nfs/dbraw/zinc/79/21/31/701792131.db2.gz XQDVXCIUBIQITM-ZIAGYGMSSA-N 1 0 309.341 1.381 20 5 DDBDRO O=C(NCC[NH+]1CCC2(CCCCC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839758341 701812721 /nfs/dbraw/zinc/81/27/21/701812721.db2.gz SDEPVRDQNMVRLO-ZIAGYGMSSA-N 1 0 309.410 1.814 20 5 DDBDRO C[C@@H]([NH2+]CCN1CCO[C@H](C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815575905 701898705 /nfs/dbraw/zinc/89/87/05/701898705.db2.gz DVCNVURCEVATPI-VXGBXAGGSA-N 1 0 308.382 1.548 20 5 DDBDRO C[N@@H+]1CC[C@H]2CN(c3cc(F)c([N+](=O)[O-])cc3CO)CC[C@@H]21 ZINC000866209019 706649208 /nfs/dbraw/zinc/64/92/08/706649208.db2.gz NEVSYRSBRFUYLY-GWCFXTLKSA-N 1 0 309.341 1.757 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3cccc(F)c3[N+](=O)[O-])C[C@@H]21 ZINC000868717207 702283628 /nfs/dbraw/zinc/28/36/28/702283628.db2.gz LYTJISKFSQWZCU-YPMHNXCESA-N 1 0 307.325 1.439 20 5 DDBDRO Cc1cc(C(=O)N(C)C[C@H]2CCC[N@@H+]2C)c(N)c([N+](=O)[O-])c1 ZINC000817677554 702447963 /nfs/dbraw/zinc/44/79/63/702447963.db2.gz XYAUDSJEAVRPAH-LLVKDONJSA-N 1 0 306.366 1.652 20 5 DDBDRO C[NH+](C)CC(C)(C)NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000841530239 702481898 /nfs/dbraw/zinc/48/18/98/702481898.db2.gz RIUMOIDPXUAOEV-UHFFFAOYSA-N 1 0 307.397 1.275 20 5 DDBDRO Cc1cc(C(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)c(N)c([N+](=O)[O-])c1 ZINC000818008237 702551600 /nfs/dbraw/zinc/55/16/00/702551600.db2.gz QNPOTTTXCUTPFV-MEBBXXQBSA-N 1 0 306.366 1.542 20 5 DDBDRO C[NH2+][C@H]1CCN(S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)C1 ZINC000842683809 702756018 /nfs/dbraw/zinc/75/60/18/702756018.db2.gz RXFYFPQXEAIPKH-VIFPVBQESA-N 1 0 317.342 1.025 20 5 DDBDRO Cc1cc(Cl)c(S(=O)(=O)N(C)CCC[NH3+])cc1[N+](=O)[O-] ZINC000842727108 702763382 /nfs/dbraw/zinc/76/33/82/702763382.db2.gz CNZPMYZGYOUGRM-UHFFFAOYSA-N 1 0 321.786 1.526 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CC2(CO)CCOCC2)cc1 ZINC000843075571 702814424 /nfs/dbraw/zinc/81/44/24/702814424.db2.gz MMOBFHQVGJRUOQ-AWEZNQCLSA-N 1 0 310.350 1.007 20 5 DDBDRO CSC[C@H](CCO)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843082669 702815496 /nfs/dbraw/zinc/81/54/96/702815496.db2.gz DEOWRNDJDBHEKJ-AAEUAGOBSA-N 1 0 300.380 1.332 20 5 DDBDRO O=[N+]([O-])c1ccc(Cc2noc(C[C@@H]3CSCC[NH2+]3)n2)nc1 ZINC000843191331 702838118 /nfs/dbraw/zinc/83/81/18/702838118.db2.gz DNYYBSHBTRCCCX-SNVBAGLBSA-N 1 0 321.362 1.211 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N[C@@](C)(C[NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000843346582 702863689 /nfs/dbraw/zinc/86/36/89/702863689.db2.gz AMHJBCJRNNQLCY-AWEZNQCLSA-N 1 0 324.337 1.915 20 5 DDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000843470251 702888133 /nfs/dbraw/zinc/88/81/33/702888133.db2.gz LZWPZZTVKZBGPH-UHFFFAOYSA-N 1 0 318.377 1.783 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)O[C@@H](C)C[NH+]1CCCC1 ZINC000845667693 703188309 /nfs/dbraw/zinc/18/83/09/703188309.db2.gz IWMYEJKQSVMDKL-NSHDSACASA-N 1 0 310.354 1.517 20 5 DDBDRO CC(C)(C)[N@@H+]1CC[C@@H]1COC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000845741123 703195996 /nfs/dbraw/zinc/19/59/96/703195996.db2.gz RXVFZFAGAJTKQP-LLVKDONJSA-N 1 0 310.354 1.597 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)CC[C@H]21 ZINC000879583217 706727616 /nfs/dbraw/zinc/72/76/16/706727616.db2.gz WQDKDLMIMHYUNA-IAQYHMDHSA-N 1 0 315.377 1.997 20 5 DDBDRO CN(CCC[N@H+](C)Cc1ccncc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000846176800 703246945 /nfs/dbraw/zinc/24/69/45/703246945.db2.gz IDZLPBZMHKIENL-ZIAGYGMSSA-N 1 0 306.366 1.027 20 5 DDBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000869801140 703854869 /nfs/dbraw/zinc/85/48/69/703854869.db2.gz FGDYLNBIFMJXDH-DTZQCDIJSA-N 1 0 317.389 1.536 20 5 DDBDRO O=C(CCN1CCC[C@@H]2[NH2+]CC[C@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000866722331 706775747 /nfs/dbraw/zinc/77/57/47/706775747.db2.gz XFHPCHRHWZGYIG-GXTWGEPZSA-N 1 0 318.377 1.750 20 5 DDBDRO CN(C(=O)CN1CCC[C@H]2[NH2+]CC[C@@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000866721837 706775943 /nfs/dbraw/zinc/77/59/43/706775943.db2.gz QASCHZMIVFENPH-CABCVRRESA-N 1 0 318.377 1.384 20 5 DDBDRO COCCN1CCC[C@@H]1C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819017836 704052183 /nfs/dbraw/zinc/05/21/83/704052183.db2.gz LSKATSWSZJLPQA-HZPDHXFCSA-N 1 0 323.393 1.329 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCCO[C@H]2CCOC2)c1 ZINC000819149059 704076371 /nfs/dbraw/zinc/07/63/71/704076371.db2.gz GLNJRLVAXTVMEB-GJZGRUSLSA-N 1 0 310.350 1.413 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000819176874 704082125 /nfs/dbraw/zinc/08/21/25/704082125.db2.gz OUFWIBAMKRSONK-ZDUSSCGKSA-N 1 0 321.293 1.023 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000819176872 704082171 /nfs/dbraw/zinc/08/21/71/704082171.db2.gz OUFWIBAMKRSONK-CYBMUJFWSA-N 1 0 321.293 1.023 20 5 DDBDRO CCS(=O)(=O)CCC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819367168 704114128 /nfs/dbraw/zinc/11/41/28/704114128.db2.gz DTGNPVDMTJIASB-ZDUSSCGKSA-N 1 0 316.379 1.043 20 5 DDBDRO COc1ccc(CNC(=O)CC[NH2+]CC2CC2)cc1[N+](=O)[O-] ZINC000870871100 704151627 /nfs/dbraw/zinc/15/16/27/704151627.db2.gz WUGVIJYBIMQIHN-UHFFFAOYSA-N 1 0 307.350 1.609 20 5 DDBDRO CC(C)[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])nc1Br ZINC000853064145 704191265 /nfs/dbraw/zinc/19/12/65/704191265.db2.gz FDTCNIAXLLGCNM-QMMMGPOBSA-N 1 0 321.175 1.255 20 5 DDBDRO Nc1ccc(NC2CC[NH+](C[C@H]3CCCO3)CC2)nc1[N+](=O)[O-] ZINC000853160810 704206692 /nfs/dbraw/zinc/20/66/92/704206692.db2.gz FLROPUAJSPGNSH-GFCCVEGCSA-N 1 0 321.381 1.627 20 5 DDBDRO O=[N+]([O-])c1ccc(-c2noc(-c3c[nH]nc3[C@H]3CC[NH2+]C3)n2)o1 ZINC000854161318 704363717 /nfs/dbraw/zinc/36/37/17/704363717.db2.gz WJCJWNRBVMHXJV-ZETCQYMHSA-N 1 0 316.277 1.705 20 5 DDBDRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)[C@H]3C[C@@H]3c3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC000821756817 704439000 /nfs/dbraw/zinc/43/90/00/704439000.db2.gz AWFYBCSQAVMDPY-LEOABGAYSA-N 1 0 315.373 1.717 20 5 DDBDRO C[C@@H](CCNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C)[NH+](C)C ZINC000855414432 704484400 /nfs/dbraw/zinc/48/44/00/704484400.db2.gz ZCUDYIVAPGUKCJ-NSHDSACASA-N 1 0 308.382 1.731 20 5 DDBDRO C[NH+](C)C1CC(NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000857229145 704566480 /nfs/dbraw/zinc/56/64/80/704566480.db2.gz KEFFSXORTTWOCT-UHFFFAOYSA-N 1 0 311.313 1.322 20 5 DDBDRO [NH3+]C[C@H]1CCN(C(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000857763931 704621624 /nfs/dbraw/zinc/62/16/24/704621624.db2.gz BEFZYUUNWWTPJE-SECBINFHSA-N 1 0 315.276 1.374 20 5 DDBDRO [NH3+]C[C@@H]1CCN(C(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)C1 ZINC000857764070 704621690 /nfs/dbraw/zinc/62/16/90/704621690.db2.gz GRNPKVZMAJXCMH-VIFPVBQESA-N 1 0 315.276 1.374 20 5 DDBDRO COCC[N@H+](C)CCCNC(=O)c1c(C)ccc([N+](=O)[O-])c1C ZINC000874005898 704918013 /nfs/dbraw/zinc/91/80/13/704918013.db2.gz JSOJDXAHWYHGRM-UHFFFAOYSA-N 1 0 323.393 1.910 20 5 DDBDRO Cc1ccc(-c2noc(C[C@H]3COCC[NH2+]3)n2)cc1[N+](=O)[O-] ZINC000822722267 705020217 /nfs/dbraw/zinc/02/02/17/705020217.db2.gz CXXDAAGIHYGBDZ-NSHDSACASA-N 1 0 304.306 1.484 20 5 DDBDRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000823125435 705147532 /nfs/dbraw/zinc/14/75/32/705147532.db2.gz YZZZIJNEVDBXNO-ZDUSSCGKSA-N 1 0 315.414 1.391 20 5 DDBDRO CNc1c(C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)cccc1[N+](=O)[O-] ZINC000874833538 705191555 /nfs/dbraw/zinc/19/15/55/705191555.db2.gz LUCXSJHPRPNANT-OLZOCXBDSA-N 1 0 318.377 1.945 20 5 DDBDRO Nc1ccc(NC(=O)NCC[N@H+]2CC=CCC2)cc1[N+](=O)[O-] ZINC000823950699 705344082 /nfs/dbraw/zinc/34/40/82/705344082.db2.gz JQGMYQKKQCDBBF-UHFFFAOYSA-N 1 0 305.338 1.560 20 5 DDBDRO COCC[N@@H+]1CCC[C@H]1COC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000861032007 705352983 /nfs/dbraw/zinc/35/29/83/705352983.db2.gz GSPUXGCNGNBKDG-AWEZNQCLSA-N 1 0 308.334 1.862 20 5 DDBDRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)CCOc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000861909087 705601340 /nfs/dbraw/zinc/60/13/40/705601340.db2.gz BTHQOOUKMBGFBQ-ATCWAGBWSA-N 1 0 319.361 1.382 20 5 DDBDRO CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000825505809 705683541 /nfs/dbraw/zinc/68/35/41/705683541.db2.gz WJPDOLFFQPLBBE-DOMZBBRYSA-N 1 0 321.377 1.476 20 5 DDBDRO C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000825777197 705729598 /nfs/dbraw/zinc/72/95/98/705729598.db2.gz RFSZPCQOXBVXDG-FZMZJTMJSA-N 1 0 307.350 1.086 20 5 DDBDRO CC(C)C[C@H](CNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000825888495 705741834 /nfs/dbraw/zinc/74/18/34/705741834.db2.gz WNQSYCGVKOSNBB-HUUCEWRRSA-N 1 0 323.393 1.721 20 5 DDBDRO C[C@H](CN1CCCCC1)[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000876926926 705927098 /nfs/dbraw/zinc/92/70/98/705927098.db2.gz LFEGAPDSTYYHFX-IYXRBSQSSA-N 1 0 307.398 1.959 20 5 DDBDRO CCOC(=O)C1=CC[C@@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000863577443 705962802 /nfs/dbraw/zinc/96/28/02/705962802.db2.gz ZBTLGTJIFMIDFQ-HIFRSBDPSA-N 1 0 320.345 1.870 20 5 DDBDRO O=C1[C@@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCN1C1CCC1 ZINC000863591316 705966182 /nfs/dbraw/zinc/96/61/82/705966182.db2.gz XGAAXGWXRANLPV-LSDHHAIUSA-N 1 0 319.361 1.371 20 5 DDBDRO Cc1c(CC(=O)N2CC[C@H]3[C@H](CC[N@H+]3C)C2)cccc1[N+](=O)[O-] ZINC000827300344 705971164 /nfs/dbraw/zinc/97/11/64/705971164.db2.gz MJACEPXRDOTZIK-ZBFHGGJFSA-N 1 0 317.389 1.998 20 5 DDBDRO [NH3+]CC12CCC(CC1)N2C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000877190500 706012015 /nfs/dbraw/zinc/01/20/15/706012015.db2.gz IAGQMVAUOFWDHK-UHFFFAOYSA-N 1 0 319.361 1.846 20 5 DDBDRO O=C(CNc1ccccc1[N+](=O)[O-])N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877280366 706046480 /nfs/dbraw/zinc/04/64/80/706046480.db2.gz HAAMCTDGTVWDJP-YPMHNXCESA-N 1 0 304.350 1.360 20 5 DDBDRO Cn1c(C(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000877370580 706083698 /nfs/dbraw/zinc/08/36/98/706083698.db2.gz WNJKMZMQEQLDIR-JGVFFNPUSA-N 1 0 320.271 1.143 20 5 DDBDRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)c1cc(Cl)ccc1[N+](=O)[O-])C2 ZINC000877378334 706086588 /nfs/dbraw/zinc/08/65/88/706086588.db2.gz HEPAELTYFROAAE-LKFCYVNXSA-N 1 0 309.753 1.930 20 5 DDBDRO C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000864615294 706214099 /nfs/dbraw/zinc/21/40/99/706214099.db2.gz BIUKSEIGQGIWRO-DTWKUNHWSA-N 1 0 315.276 1.515 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@@H](C(C)(C)O)C2)c1 ZINC000877836272 706227394 /nfs/dbraw/zinc/22/73/94/706227394.db2.gz SDDYOFMDYWTCHF-CYBMUJFWSA-N 1 0 322.361 1.974 20 5 DDBDRO C[N@@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)C1 ZINC000881915338 707423330 /nfs/dbraw/zinc/42/33/30/707423330.db2.gz LMGZINVJFMMSBM-LLVKDONJSA-N 1 0 318.377 1.851 20 5 DDBDRO C[C@@H]1[C@H](C)N(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C(=O)N1C ZINC000878752274 706488739 /nfs/dbraw/zinc/48/87/39/706488739.db2.gz KKMOKANWXVFEFM-OXJKWZBOSA-N 1 0 321.377 1.568 20 5 DDBDRO COc1cccc(N[C@H]2CC[N@H+](CC(C)(C)O)C2)c1[N+](=O)[O-] ZINC000865998673 706589885 /nfs/dbraw/zinc/58/98/85/706589885.db2.gz QXXOCEWEMRHZPI-NSHDSACASA-N 1 0 309.366 1.861 20 5 DDBDRO C[C@H]1CN(Cc2cn(C)nc2[N+](=O)[O-])CCN1c1cc[nH+]cc1 ZINC000880258554 706922892 /nfs/dbraw/zinc/92/28/92/706922892.db2.gz IIOVYTPNEXHXTM-LBPRGKRZSA-N 1 0 316.365 1.434 20 5 DDBDRO C[N@@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)C[C@H]1C(C)(C)C ZINC000880614546 707042571 /nfs/dbraw/zinc/04/25/71/707042571.db2.gz WPXILMHJLPXJFQ-ZDUSSCGKSA-N 1 0 320.393 1.979 20 5 DDBDRO C[C@@H]([NH2+]C[C@H](O)c1cnn(C)c1)c1c(F)cccc1[N+](=O)[O-] ZINC000872039689 707284142 /nfs/dbraw/zinc/28/41/42/707284142.db2.gz UFKMKYKHPJEMKM-RNCFNFMXSA-N 1 0 308.313 1.852 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H]2[C@@H]3OC[C@@H]4C[C@H]2C[C@@H]43)cc1 ZINC000872221760 707335905 /nfs/dbraw/zinc/33/59/05/707335905.db2.gz JOVBPUDUIHUXTE-HVCGAPEVSA-N 1 0 304.346 1.641 20 5 DDBDRO O=C1N[C@H](C[NH+]2CCCCC2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000927177239 712949960 /nfs/dbraw/zinc/94/99/60/712949960.db2.gz ZARXAJCLKBEADV-CYBMUJFWSA-N 1 0 318.333 1.506 20 5 DDBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000882489928 707660746 /nfs/dbraw/zinc/66/07/46/707660746.db2.gz HKEQPIFGYNFZRC-SNVBAGLBSA-N 1 0 307.306 1.148 20 5 DDBDRO Cc1c(C[NH2+]CCC(=O)N2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000873042452 707705268 /nfs/dbraw/zinc/70/52/68/707705268.db2.gz ODLCSWZYHAFQND-UHFFFAOYSA-N 1 0 320.393 1.157 20 5 DDBDRO Cc1c(C[NH2+]C[C@@H]2CC[C@H](C(=O)N(C)C)O2)cccc1[N+](=O)[O-] ZINC000873100933 707732481 /nfs/dbraw/zinc/73/24/81/707732481.db2.gz JFLDRMWLZHQZRB-DZGCQCFKSA-N 1 0 321.377 1.629 20 5 DDBDRO Cc1c(C[NH2+]C[C@@H]2CCCCS2(=O)=O)cccc1[N+](=O)[O-] ZINC000873105325 707733431 /nfs/dbraw/zinc/73/34/31/707733431.db2.gz ZEMNFSYUCHCUQM-ZDUSSCGKSA-N 1 0 312.391 1.960 20 5 DDBDRO CC[C@H]1COCCN1CC[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000873190094 707761709 /nfs/dbraw/zinc/76/17/09/707761709.db2.gz ZCVCAGHHDOOHBS-AWEZNQCLSA-N 1 0 323.393 1.804 20 5 DDBDRO Cc1c(NC(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)cccc1[N+](=O)[O-] ZINC000873300750 707803755 /nfs/dbraw/zinc/80/37/55/707803755.db2.gz ZAHUHTVMKNGGLS-XHDPSFHLSA-N 1 0 304.350 1.976 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CCOC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000873384796 707832239 /nfs/dbraw/zinc/83/22/39/707832239.db2.gz QMBXOKUHDJXVGI-PHIMTYICSA-N 1 0 310.354 1.516 20 5 DDBDRO COc1cc(N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)ccc1[N+](=O)[O-] ZINC000897221295 708259417 /nfs/dbraw/zinc/25/94/17/708259417.db2.gz KYGCWZGFLOFPIZ-KBPBESRZSA-N 1 0 321.377 1.639 20 5 DDBDRO COC(=O)c1ccnc(NCC[N@@H+]2CCC(C)(C)C2)c1[N+](=O)[O-] ZINC000897247832 708268174 /nfs/dbraw/zinc/26/81/74/708268174.db2.gz GKZGSXLPJYCGTB-UHFFFAOYSA-N 1 0 322.365 1.920 20 5 DDBDRO Cn1cc(COC(=O)C2C[NH+](C3CCCCC3)C2)c([N+](=O)[O-])n1 ZINC000884548838 708326828 /nfs/dbraw/zinc/32/68/28/708326828.db2.gz TVOQODOTZUVVLL-UHFFFAOYSA-N 1 0 322.365 1.636 20 5 DDBDRO COc1c(O)ccc(CN2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)c1[N+](=O)[O-] ZINC000897620866 708397131 /nfs/dbraw/zinc/39/71/31/708397131.db2.gz ZHGHELQFKVWJEM-BLLLJJGKSA-N 1 0 321.377 1.693 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCC[NH+]2CCC(O)CC2)c1C ZINC000897919440 708493531 /nfs/dbraw/zinc/49/35/31/708493531.db2.gz OQZYFLHXDKVLOD-UHFFFAOYSA-N 1 0 321.377 1.398 20 5 DDBDRO O=[N+]([O-])c1ncccc1CN1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000885953832 708670358 /nfs/dbraw/zinc/67/03/58/708670358.db2.gz GXGJSLYWTGMXSY-HNNXBMFYSA-N 1 0 320.393 1.677 20 5 DDBDRO NC(=O)c1ccc(C[N@@H+]2C[C@@H]3CSC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000886564354 708777629 /nfs/dbraw/zinc/77/76/29/708777629.db2.gz UKHQTVIZYDXZNO-TXEJJXNPSA-N 1 0 307.375 1.489 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC([NH+]2CCC2)CC1 ZINC000912883060 713113904 /nfs/dbraw/zinc/11/39/04/713113904.db2.gz XUBVGRBHNHNTBE-UHFFFAOYSA-N 1 0 304.350 1.609 20 5 DDBDRO C[N@@H+]1CCC[C@@](O)(CC(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000900403528 709579410 /nfs/dbraw/zinc/57/94/10/709579410.db2.gz RFHAVMKGCNMNPB-OAHLLOKOSA-N 1 0 307.350 1.058 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912907873 713120206 /nfs/dbraw/zinc/12/02/06/713120206.db2.gz JZNCNKNVXJOTMN-LBPRGKRZSA-N 1 0 319.361 1.914 20 5 DDBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912914491 713122731 /nfs/dbraw/zinc/12/27/31/713122731.db2.gz BHMPVTYMQDBCAY-OAHLLOKOSA-N 1 0 303.362 1.834 20 5 DDBDRO C[N@@H+]1CCC[C@](O)(CC(=O)N2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000900770626 709750097 /nfs/dbraw/zinc/75/00/97/709750097.db2.gz FFDVAFCRTAEAKF-INIZCTEOSA-N 1 0 319.361 1.331 20 5 DDBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000891667445 710261514 /nfs/dbraw/zinc/26/15/14/710261514.db2.gz GUVOXZJOOZEMKD-PHIMTYICSA-N 1 0 324.768 1.894 20 5 DDBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000891722324 710275796 /nfs/dbraw/zinc/27/57/96/710275796.db2.gz BZYUKMWPRFKYEE-GDBMZVCRSA-N 1 0 318.377 1.721 20 5 DDBDRO COc1c(O)ccc(C[NH2+]CCOCC(F)(F)F)c1[N+](=O)[O-] ZINC000892503178 710448769 /nfs/dbraw/zinc/44/87/69/710448769.db2.gz YJABFUYCJGKIJO-UHFFFAOYSA-N 1 0 324.255 1.978 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@H]2CCC3(C[C@H]2F)OCCO3)c1 ZINC000893133131 710559670 /nfs/dbraw/zinc/55/96/70/710559670.db2.gz AZIJIQOHVFYNHM-VXGBXAGGSA-N 1 0 314.317 1.015 20 5 DDBDRO C[C@@H]1[C@@H](NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC[N@@H+]1C ZINC000928438659 713195959 /nfs/dbraw/zinc/19/59/59/713195959.db2.gz GVYAKOOSOLDLNT-MFKMUULPSA-N 1 0 314.345 1.965 20 5 DDBDRO COc1cc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000928431808 713192791 /nfs/dbraw/zinc/19/27/91/713192791.db2.gz HAPXCSUVRZWZBK-LDYMZIIASA-N 1 0 311.313 1.565 20 5 DDBDRO Cn1c(C(=O)N2C[C@]3(C)C[N@H+](C)C[C@]3(C)C2)ccc1[N+](=O)[O-] ZINC000913293495 713193584 /nfs/dbraw/zinc/19/35/84/713193584.db2.gz PEGOJRBIOAGYNB-GASCZTMLSA-N 1 0 306.366 1.347 20 5 DDBDRO O=C(CCc1cc(F)ccc1[N+](=O)[O-])NC[C@H]1CCC[NH2+]C1 ZINC000911708027 710941572 /nfs/dbraw/zinc/94/15/72/710941572.db2.gz SGWYZPOUNFXKMO-NSHDSACASA-N 1 0 309.341 1.782 20 5 DDBDRO COc1ccc(C[NH2+][C@H]2CCO[C@]23CCOC3)cc1[N+](=O)[O-] ZINC000903083668 711027194 /nfs/dbraw/zinc/02/71/94/711027194.db2.gz LLNXLEMFCPJCBS-GJZGRUSLSA-N 1 0 308.334 1.641 20 5 DDBDRO COCCN(C)CC[NH2+][C@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903089822 711029230 /nfs/dbraw/zinc/02/92/30/711029230.db2.gz SUBNTUFHUXNJNM-GFCCVEGCSA-N 1 0 311.382 1.832 20 5 DDBDRO COc1cc([C@H](C)[NH2+]CCCn2cncn2)cc([N+](=O)[O-])c1 ZINC000903136367 711044485 /nfs/dbraw/zinc/04/44/85/711044485.db2.gz RVFHONUQBAGMNR-NSHDSACASA-N 1 0 305.338 1.936 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N(CCO)C1CC[NH+](C)CC1 ZINC000911937612 711077902 /nfs/dbraw/zinc/07/79/02/711077902.db2.gz XNHQOEKYJNNBOX-UHFFFAOYSA-N 1 0 321.377 1.432 20 5 DDBDRO [NH3+][C@@H]1CN(CCOc2ccccc2[N+](=O)[O-])C[C@H]1C(F)(F)F ZINC000903518788 711164649 /nfs/dbraw/zinc/16/46/49/711164649.db2.gz XLUCONKBQMMDTB-NXEZZACHSA-N 1 0 319.283 1.795 20 5 DDBDRO O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC[C@@]23CC[NH2+]C3)c1 ZINC000903593376 711216268 /nfs/dbraw/zinc/21/62/68/711216268.db2.gz MDJXMPAIUNMFTD-ZDUSSCGKSA-N 1 0 311.363 1.111 20 5 DDBDRO COc1c(O)ccc(CN(C)[C@@H]2CCC(=O)N(C)C2)c1[N+](=O)[O-] ZINC000895537971 711537075 /nfs/dbraw/zinc/53/70/75/711537075.db2.gz XCQGAMHEUZYUSO-LLVKDONJSA-N 1 0 323.349 1.362 20 5 DDBDRO C[C@@H]1[C@@H](Nc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)CC[N@@H+]1C ZINC000895735152 711590235 /nfs/dbraw/zinc/59/02/35/711590235.db2.gz VFKUYKZQOAFIRI-YGRLFVJLSA-N 1 0 318.377 1.992 20 5 DDBDRO CCO[C@H](CNc1c(Cl)cncc1[N+](=O)[O-])C[NH+](C)C ZINC000896114575 711678164 /nfs/dbraw/zinc/67/81/64/711678164.db2.gz AKKMMGNJRGWGRB-SECBINFHSA-N 1 0 302.762 1.444 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCN2C)c1 ZINC000896558123 711751363 /nfs/dbraw/zinc/75/13/63/711751363.db2.gz YDZHAUNCFOVBHJ-SWLSCSKDSA-N 1 0 320.393 1.267 20 5 DDBDRO C[C@H](NC(=O)c1csc([N+](=O)[O-])c1)[C@H]1C[N@H+](C)CCN1C ZINC000896572424 711755699 /nfs/dbraw/zinc/75/56/99/711755699.db2.gz VBLUSBVZIRDZTC-GXSJLCMTSA-N 1 0 312.395 1.020 20 5 DDBDRO COc1ccc(Cl)cc1NC(=O)CC[NH2+]CC[N+](=O)[O-] ZINC000905144618 711950174 /nfs/dbraw/zinc/95/01/74/711950174.db2.gz GBKACBQZWYNCCZ-UHFFFAOYSA-N 1 0 301.730 1.544 20 5 DDBDRO O=[N+]([O-])CC[NH2+]CCN1CCN(c2cccc(Cl)c2)CC1 ZINC000905171505 711958800 /nfs/dbraw/zinc/95/88/00/711958800.db2.gz ADXBPAKQXXYTTR-UHFFFAOYSA-N 1 0 312.801 1.328 20 5 DDBDRO CC[C@@H](CN1CCOCC1)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000905551760 712074977 /nfs/dbraw/zinc/07/49/77/712074977.db2.gz LRTBGRZIFSEMIN-GOEBONIOSA-N 1 0 323.393 1.329 20 5 DDBDRO CC1(C)C[C@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CO1 ZINC000905698064 712122956 /nfs/dbraw/zinc/12/29/56/712122956.db2.gz FZEWTGUCNHAWNP-NWDGAFQWSA-N 1 0 310.350 1.492 20 5 DDBDRO Cc1c(NC(=O)COC2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000929228842 713571510 /nfs/dbraw/zinc/57/15/10/713571510.db2.gz VPBRSTLPLUUNJS-UHFFFAOYSA-N 1 0 307.350 1.953 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000930905517 713954714 /nfs/dbraw/zinc/95/47/14/713954714.db2.gz VEBUTZISVGSYMN-UHFFFAOYSA-N 1 0 323.397 1.336 20 5 DDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@H]([NH+](C)C)[C@@H]1C ZINC000931043512 713989432 /nfs/dbraw/zinc/98/94/32/713989432.db2.gz KQVFMJNVKQMAAN-ZOWXZIJZSA-N 1 0 320.393 1.946 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@@H]([NH+](C)C)[C@H]1C ZINC000931044357 713989631 /nfs/dbraw/zinc/98/96/31/713989631.db2.gz MMXVVMJWKISDHX-IUODEOHRSA-N 1 0 320.393 1.866 20 5 DDBDRO C[C@](CO)([NH2+]C[C@H]1CCC2(COC2)O1)c1cccc([N+](=O)[O-])c1 ZINC000931468803 714104619 /nfs/dbraw/zinc/10/46/19/714104619.db2.gz FTCQXCMDLNPRGN-HUUCEWRRSA-N 1 0 322.361 1.340 20 5 DDBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@]2(CCN(CC[N+](=O)[O-])C2)O1 ZINC000931704878 714165551 /nfs/dbraw/zinc/16/55/51/714165551.db2.gz RZYPANHCMONAFE-WBVHZDCISA-N 1 0 319.405 1.629 20 5 DDBDRO C[C@@H]([NH2+][C@@H](C)C(=O)NC[C@@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000932180671 714280498 /nfs/dbraw/zinc/28/04/98/714280498.db2.gz BUQUVXZLYLVNBI-XUJVJEKNSA-N 1 0 321.377 1.929 20 5 DDBDRO COC(C)(C)[C@H](C)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000932371065 714319501 /nfs/dbraw/zinc/31/95/01/714319501.db2.gz SPJSNRVHWOZBKJ-NWDGAFQWSA-N 1 0 312.366 1.738 20 5 DDBDRO C[C@H]1COC[C@@H]1[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000932494756 714346485 /nfs/dbraw/zinc/34/64/85/714346485.db2.gz QUUGWLWEMKGCHE-GWCFXTLKSA-N 1 0 305.334 1.108 20 5 DDBDRO CCN(C)C(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000934042229 714730050 /nfs/dbraw/zinc/73/00/50/714730050.db2.gz QKTFJDFKDXIBSN-UHFFFAOYSA-N 1 0 321.381 1.830 20 5 DDBDRO O=[N+]([O-])c1ncccc1CN1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000934275913 714784123 /nfs/dbraw/zinc/78/41/23/714784123.db2.gz RXEXAESRAXJRFJ-KGLIPLIRSA-N 1 0 306.366 1.021 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000935361734 715036746 /nfs/dbraw/zinc/03/67/46/715036746.db2.gz ZUGCKDMKKPSVKC-GFCCVEGCSA-N 1 0 323.397 1.480 20 5 DDBDRO C[N@@H+]1CCO[C@@H]2CN(c3ncnc4ccc([N+](=O)[O-])cc43)C[C@H]21 ZINC000611712218 719389445 /nfs/dbraw/zinc/38/94/45/719389445.db2.gz XZWBNTJGLXWLND-ZIAGYGMSSA-N 1 0 315.333 1.057 20 5 DDBDRO COc1nc(C)c([N+](=O)[O-])c(-n2ccnc2[C@@H]2CCC[NH2+]C2)n1 ZINC001167056917 732365667 /nfs/dbraw/zinc/36/56/67/732365667.db2.gz QSCAOSVGOQTODG-SNVBAGLBSA-N 1 0 318.337 1.355 20 5 DDBDRO COC(=O)c1cnc(N[C@@H]2CC[C@H]3C[N@H+](C)C[C@@H]32)c([N+](=O)[O-])c1 ZINC001121008535 782292940 /nfs/dbraw/zinc/29/29/40/782292940.db2.gz FMVLKIVBSXDQOJ-ZMLRMANQSA-N 1 0 320.349 1.529 20 5 DDBDRO [NH3+]CC1(N(Cc2ccccc2)c2cccnc2[N+](=O)[O-])COC1 ZINC001167371366 733314697 /nfs/dbraw/zinc/31/46/97/733314697.db2.gz WYABIPUPNBPKPU-UHFFFAOYSA-N 1 0 314.345 1.724 20 5 DDBDRO CCc1nc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cs1 ZINC001022064774 734369645 /nfs/dbraw/zinc/36/96/45/734369645.db2.gz NDUATEDCHQNYON-RBLKWDMZSA-N 1 0 324.406 1.108 20 5 DDBDRO Cn1c(CCC[N+](=O)[O-])nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001121289382 782442537 /nfs/dbraw/zinc/44/25/37/782442537.db2.gz MGDXYVNLBCHYRO-CYBMUJFWSA-N 1 0 322.413 1.089 20 5 DDBDRO CCC[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000197045246 751357303 /nfs/dbraw/zinc/35/73/03/751357303.db2.gz ZFTLUCAFHTWABO-NSHDSACASA-N 1 0 313.379 1.357 20 5 DDBDRO CC(=O)Nc1ccc(-n2ccc(C[NH3+])cc2=N)cc1[N+](=O)[O-] ZINC001167692701 736152392 /nfs/dbraw/zinc/15/23/92/736152392.db2.gz SIENZNSUWLHUMT-UHFFFAOYSA-N 1 0 301.306 1.282 20 5 DDBDRO COC(=O)[C@@H](CCC[NH3+])Nc1ncc(F)c(C)c1[N+](=O)[O-] ZINC001167895013 739197290 /nfs/dbraw/zinc/19/72/90/739197290.db2.gz BUPNKXKAMIVUQH-SECBINFHSA-N 1 0 300.290 1.130 20 5 DDBDRO CCC[N@H+](C)CC(=O)N(C)CCN(C)c1ncccc1[N+](=O)[O-] ZINC001105442029 741696674 /nfs/dbraw/zinc/69/66/74/741696674.db2.gz WUPMNPGUKMLJIY-UHFFFAOYSA-N 1 0 323.397 1.226 20 5 DDBDRO C[NH+]1CCC2(CCN2C(=O)c2[nH]nc([N+](=O)[O-])c2Cl)CC1 ZINC001180825046 742938634 /nfs/dbraw/zinc/93/86/34/742938634.db2.gz SDVLUEQTGXEHRN-UHFFFAOYSA-N 1 0 313.745 1.282 20 5 DDBDRO COc1c(O)ccc(C[NH2+][C@@H]2CCC[C@@H]2CCO)c1[N+](=O)[O-] ZINC001181125092 743073543 /nfs/dbraw/zinc/07/35/43/743073543.db2.gz JAZZXTCUXGXRRQ-ZYHUDNBSSA-N 1 0 310.350 1.950 20 5 DDBDRO CC1(C)CCC(C[NH+]2CC(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1 ZINC001031663089 747338240 /nfs/dbraw/zinc/33/82/40/747338240.db2.gz SBAJIPUPPQCWEM-HUUCEWRRSA-N 1 0 323.437 1.916 20 5 DDBDRO CCOCC(=O)N1CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001199202545 747740092 /nfs/dbraw/zinc/74/00/92/747740092.db2.gz NYLFDYKAJDOQQJ-UHFFFAOYSA-N 1 0 321.377 1.712 20 5 DDBDRO COCCCCC(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001124573397 748335029 /nfs/dbraw/zinc/33/50/29/748335029.db2.gz SRYPWJSOBBXGQU-UHFFFAOYSA-N 1 0 309.366 1.617 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])c(Cl)cc1-n1cnc(C[NH3+])c1 ZINC001162304433 749438918 /nfs/dbraw/zinc/43/89/18/749438918.db2.gz JEEAHLMGDSZMPA-UHFFFAOYSA-N 1 0 310.697 1.679 20 5 DDBDRO Cc1ncn(-c2nc(C)ccc2[N+](=O)[O-])c1CSCC[NH3+] ZINC001168788370 761953154 /nfs/dbraw/zinc/95/31/54/761953154.db2.gz PRQBESLEFHPLGL-UHFFFAOYSA-N 1 0 307.379 1.984 20 5 DDBDRO COc1cc(-n2cnc(C)c2CSCC[NH3+])cnc1[N+](=O)[O-] ZINC001168790545 761959407 /nfs/dbraw/zinc/95/94/07/761959407.db2.gz NXGABIUQWLAOBA-UHFFFAOYSA-N 1 0 323.378 1.684 20 5 DDBDRO Cc1ccncc1C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000996429729 749589353 /nfs/dbraw/zinc/58/93/53/749589353.db2.gz UZTMVLLEPZBCFA-HUUCEWRRSA-N 1 0 318.377 1.136 20 5 DDBDRO CC[N@H+](C)CCC(=O)NC/C=C/CNc1ncccc1[N+](=O)[O-] ZINC001107321596 749799386 /nfs/dbraw/zinc/79/93/86/749799386.db2.gz HERIVARRWGQZNC-SNAWJCMRSA-N 1 0 321.381 1.416 20 5 DDBDRO CC(=O)NCC[NH+]1CCC(Nc2ccc([N+](=O)[O-])c(C)n2)CC1 ZINC001111309113 750442906 /nfs/dbraw/zinc/44/29/06/750442906.db2.gz DZKQCYOCGCUUHY-UHFFFAOYSA-N 1 0 321.381 1.311 20 5 DDBDRO COc1nc(C)c(-n2cc3c(n2)CC[C@H]([NH3+])C3)cc1[N+](=O)[O-] ZINC001168822996 762054036 /nfs/dbraw/zinc/05/40/36/762054036.db2.gz YXEJODHOXOPIPG-JTQLQIEISA-N 1 0 303.322 1.309 20 5 DDBDRO O=C(N[C@H]1CC[C@H]([NH2+]Cc2cscn2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001034645983 750627679 /nfs/dbraw/zinc/62/76/79/750627679.db2.gz YTCOHNUJPWRPKH-FPQZTECRSA-N 1 0 324.406 1.325 20 5 DDBDRO CN(C)c1ccc(-n2cc3c(n2)CC[C@H]([NH3+])C3)c([N+](=O)[O-])c1 ZINC001168818882 762068510 /nfs/dbraw/zinc/06/85/10/762068510.db2.gz ATUYLRLSMYFMBY-NSHDSACASA-N 1 0 301.350 1.663 20 5 DDBDRO CCCC(=O)N1CCC(C[NH2+]Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000997473507 750976023 /nfs/dbraw/zinc/97/60/23/750976023.db2.gz VXJHQRDIGRZGFT-UHFFFAOYSA-N 1 0 323.397 1.457 20 5 DDBDRO O=C(NCC[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)Nc1ccccc1 ZINC001168979546 762148780 /nfs/dbraw/zinc/14/87/80/762148780.db2.gz ZDRSSGPGJOEOTR-JSGCOSHPSA-N 1 0 306.366 1.843 20 5 DDBDRO O=C(N1CCCC1)N1CCC([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168968072 762158600 /nfs/dbraw/zinc/15/86/00/762158600.db2.gz VGIMVFPXZKRMEW-HIFRSBDPSA-N 1 0 324.425 1.702 20 5 DDBDRO COCCOc1nccc(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)n1 ZINC001168997121 762170209 /nfs/dbraw/zinc/17/02/09/762170209.db2.gz BOOLHECJYZTLIX-NEPJUHHUSA-N 1 0 310.354 1.037 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C[C@H]2CN(c3ccccc3)CCO2)C1 ZINC001168988133 762180107 /nfs/dbraw/zinc/18/01/07/762180107.db2.gz OGAPTOARRRQJFF-VYDXJSESSA-N 1 0 319.405 1.927 20 5 DDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CCN(CCc3ccccn3)CC2)C1 ZINC001169027418 762183526 /nfs/dbraw/zinc/18/35/26/762183526.db2.gz PKSRSXRYQWTLNO-DOTOQJQBSA-N 1 0 318.421 1.687 20 5 DDBDRO O=C1N(c2ccccc2)CC12C[NH+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169037712 762192625 /nfs/dbraw/zinc/19/26/25/762192625.db2.gz SZWGMBHIJHENLH-UKRRQHHQSA-N 1 0 315.373 1.781 20 5 DDBDRO CCN1C(=O)CCC12CC[NH+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169018971 762199493 /nfs/dbraw/zinc/19/94/93/762199493.db2.gz FVMGVSFYEZHVLY-KGLIPLIRSA-N 1 0 309.410 1.909 20 5 DDBDRO C=CC(=O)NCCNc1ccc([N+](=O)[O-])c(OCC[NH+](C)C)c1 ZINC001169807638 762682862 /nfs/dbraw/zinc/68/28/62/762682862.db2.gz UEPGVBHWPUWOKU-UHFFFAOYSA-N 1 0 322.365 1.249 20 5 DDBDRO O=C(NC1(C2CC[NH+](CC3CC3)CC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001000153258 761545330 /nfs/dbraw/zinc/54/53/30/761545330.db2.gz JIIMAAVNFPHQFO-ZIAGYGMSSA-N 1 0 307.394 1.422 20 5 DDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CC[NH+](CCC1CC1)CC2 ZINC001050517607 763694206 /nfs/dbraw/zinc/69/42/06/763694206.db2.gz WLDDMBVQPFXGLJ-ZIAGYGMSSA-N 1 0 307.394 1.376 20 5 DDBDRO CN(CCCNc1ncccc1[N+](=O)[O-])C(=O)C[NH+]1CCCC1 ZINC001109454650 763725531 /nfs/dbraw/zinc/72/55/31/763725531.db2.gz KXVBROIWHVKDCF-UHFFFAOYSA-N 1 0 321.381 1.346 20 5 DDBDRO Cc1cnoc1C(=O)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001170037977 764290348 /nfs/dbraw/zinc/29/03/48/764290348.db2.gz WYKSSXYYNYJYRZ-UHFFFAOYSA-N 1 0 318.333 1.801 20 5 DDBDRO COc1ccc(C[C@@H](C)[N@@H+]2CCC[C@@H](C(N)=O)C2)c([N+](=O)[O-])c1 ZINC001170329049 766254067 /nfs/dbraw/zinc/25/40/67/766254067.db2.gz NPTGKPDHZGDQSQ-DGCLKSJQSA-N 1 0 321.377 1.732 20 5 DDBDRO Cc1c(CC[NH3+])c(=O)[nH]n1-c1nccc2c1cccc2[N+](=O)[O-] ZINC001170339948 766272909 /nfs/dbraw/zinc/27/29/09/766272909.db2.gz KEPJVOVKXPCHAI-UHFFFAOYSA-N 1 0 313.317 1.844 20 5 DDBDRO C[C@H]1CCC[N@H+](CCNC(=O)c2cnc(N)c([N+](=O)[O-])c2)C1 ZINC001136225124 771917792 /nfs/dbraw/zinc/91/77/92/771917792.db2.gz TTZJPQDVKCJUFA-JTQLQIEISA-N 1 0 307.354 1.034 20 5 DDBDRO [NH3+]C[C@H]1COc2ccccc2N1c1ncnc(Cl)c1[N+](=O)[O-] ZINC001171390209 774345419 /nfs/dbraw/zinc/34/54/19/774345419.db2.gz UHZMRFNTNJLZRU-QMMMGPOBSA-N 1 0 321.724 1.896 20 5 DDBDRO CN(CCNC(=O)C[NH+]1CCCC1)c1ccc(F)cc1[N+](=O)[O-] ZINC001100115204 775698436 /nfs/dbraw/zinc/69/84/36/775698436.db2.gz CRJIWBHUNBBICL-UHFFFAOYSA-N 1 0 324.356 1.382 20 5 DDBDRO CC(C)[N@H+](C)CC(=O)NCCCNc1ncccc1[N+](=O)[O-] ZINC001094456733 775896351 /nfs/dbraw/zinc/89/63/51/775896351.db2.gz PREDZSGGTPZOSO-UHFFFAOYSA-N 1 0 309.370 1.248 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@H+]1C[C@H](O)[C@H](CO)C1)CC2 ZINC001172905990 776917212 /nfs/dbraw/zinc/91/72/12/776917212.db2.gz VYWFWNLHZXMGFN-LZWOXQAQSA-N 1 0 306.362 1.127 20 5 DDBDRO O=C(C[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1)NC1CC1 ZINC001172896427 776928831 /nfs/dbraw/zinc/92/88/31/776928831.db2.gz PMDGFCGTUNABAS-CYBMUJFWSA-N 1 0 303.362 1.710 20 5 DDBDRO CN1CCOC[C@H]1C[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172913771 776928874 /nfs/dbraw/zinc/92/88/74/776928874.db2.gz ZEUJIWFDLCWBKR-NVXWUHKLSA-N 1 0 319.405 1.762 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CC[NH+](C)CC2)c1F ZINC001173183612 777035345 /nfs/dbraw/zinc/03/53/45/777035345.db2.gz IICHXIHWMREKAX-NSHDSACASA-N 1 0 311.357 1.921 20 5 DDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001173218506 777050595 /nfs/dbraw/zinc/05/05/95/777050595.db2.gz PQXROFIHPUJPIJ-AAEUAGOBSA-N 1 0 312.391 1.550 20 5 DDBDRO CNC(=O)N1CCC([NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173222326 777055382 /nfs/dbraw/zinc/05/53/82/777055382.db2.gz WGLVDXBMIPRAFY-GFCCVEGCSA-N 1 0 320.393 1.919 20 5 DDBDRO COC(=O)[C@H]1C[N@@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC001173231937 777063272 /nfs/dbraw/zinc/06/32/72/777063272.db2.gz PAVWENMSIMTQIQ-SWLSCSKDSA-N 1 0 322.361 1.790 20 5 DDBDRO CNC(=O)NC1CC[NH+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173238479 777077313 /nfs/dbraw/zinc/07/73/13/777077313.db2.gz SXTUPXNODVWRQM-LBPRGKRZSA-N 1 0 320.393 1.919 20 5 DDBDRO C[NH+](C)CCC(=O)N1CCCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001095205082 777234101 /nfs/dbraw/zinc/23/41/01/777234101.db2.gz WAQHIMODOAOESY-UHFFFAOYSA-N 1 0 320.393 1.585 20 5 DDBDRO CC(C)(C)[NH+]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC001116324426 780496513 /nfs/dbraw/zinc/49/65/13/780496513.db2.gz LCJQQNNEPSPFOM-UHFFFAOYSA-N 1 0 320.393 1.610 20 5 DDBDRO Cc1nc(N[C@H]2CCC[N@@H+]3CCSC[C@H]23)ncc1[N+](=O)[O-] ZINC001120059080 781741621 /nfs/dbraw/zinc/74/16/21/781741621.db2.gz CZZSBHCZNFTIBZ-CMPLNLGQSA-N 1 0 309.395 1.685 20 5 DDBDRO O=C(NC/C=C/C[NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc[nH]1 ZINC001268510182 840337131 /nfs/dbraw/zinc/33/71/31/840337131.db2.gz HGTRXKUOPPTKLH-ONEGZZNKSA-N 1 0 314.345 1.999 20 5 DDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(C[NH2+]C)CC1 ZINC001326361165 861303752 /nfs/dbraw/zinc/30/37/52/861303752.db2.gz HBFOBPJCFNTDOH-UHFFFAOYSA-N 1 0 306.366 1.708 20 5 DDBDRO COc1cc(Cl)cc(OC(=O)C[C@@H](O)C[N+](C)(C)C)c1 ZINC001227897498 843822881 /nfs/dbraw/zinc/82/28/81/843822881.db2.gz TYQMYJNCKOGAJA-LLVKDONJSA-N 1 0 302.778 1.711 20 5 DDBDRO O=C(NCCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1cnns1 ZINC001155113761 861746543 /nfs/dbraw/zinc/74/65/43/861746543.db2.gz VZGGUUJOSJTIPZ-UHFFFAOYSA-N 1 0 321.362 1.356 20 5 DDBDRO COC(=O)[C@@H](Nc1nc2ccccc2cc1[N+](=O)[O-])C(C)(C)[NH3+] ZINC001155369292 862002197 /nfs/dbraw/zinc/00/21/97/862002197.db2.gz TYZMIAOSDKAOHL-GFCCVEGCSA-N 1 0 318.333 1.834 20 5 DDBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC001150030322 862037307 /nfs/dbraw/zinc/03/73/07/862037307.db2.gz LHNSTEVKAGJJNX-ZYHUDNBSSA-N 1 0 320.349 1.252 20 5 DDBDRO CCOC(=O)c1ccnc(N[C@H]2C[NH+]3CCC2CC3)c1[N+](=O)[O-] ZINC001155668258 862359760 /nfs/dbraw/zinc/35/97/60/862359760.db2.gz UBUIPALTRUQNOU-LBPRGKRZSA-N 1 0 320.349 1.673 20 5 DDBDRO COC(=O)c1cc(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2C)cc([N+](=O)[O-])c1 ZINC001155892647 862535975 /nfs/dbraw/zinc/53/59/75/862535975.db2.gz KSKAISRNXXEDDA-RNCFNFMXSA-N 1 0 321.333 1.204 20 5 DDBDRO Cc1ccc(-c2ccc(N(CC[NH3+])CCO)nn2)cc1[N+](=O)[O-] ZINC001155952890 862590468 /nfs/dbraw/zinc/59/04/68/862590468.db2.gz PDLKQMGMXHFQMD-UHFFFAOYSA-N 1 0 317.349 1.118 20 5 DDBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CC[NH2+]C[C@@H]1c1cccs1 ZINC001156110877 862728822 /nfs/dbraw/zinc/72/88/22/862728822.db2.gz LTDMVLDIGKLLBW-GFCCVEGCSA-N 1 0 320.374 1.749 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001156376809 862988425 /nfs/dbraw/zinc/98/84/25/862988425.db2.gz UNVJTKBAEFZMIQ-MEBBXXQBSA-N 1 0 320.349 1.164 20 5 DDBDRO [NH3+]Cc1ccc(C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)o1 ZINC001328504241 863013236 /nfs/dbraw/zinc/01/32/36/863013236.db2.gz JYALNOPYHUQVEY-UHFFFAOYSA-N 1 0 319.321 1.320 20 5 DDBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N1CCC[C@]12CC[NH2+]C2 ZINC001122324208 858753216 /nfs/dbraw/zinc/75/32/16/858753216.db2.gz LWBFTEZKOPTEFG-MRXNPFEDSA-N 1 0 318.377 1.751 20 5 DDBDRO C[N+](C)(C)CCCO[C@@H]1CC(=O)N(Cc2ccccc2)C1=O ZINC001224622528 881475324 /nfs/dbraw/zinc/47/53/24/881475324.db2.gz HPCZCCNUYBDKFU-OAHLLOKOSA-N 1 0 305.398 1.427 20 5 DDBDRO [NH3+]CCc1nccn1-c1nc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001156479387 863087231 /nfs/dbraw/zinc/08/72/31/863087231.db2.gz ZYMOXOJUTAMKMW-UHFFFAOYSA-N 1 0 302.121 1.984 20 5 DDBDRO CC(C)=C(F)C(=O)NCCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001156498409 863106179 /nfs/dbraw/zinc/10/61/79/863106179.db2.gz MZVPRJPICXGSQG-UHFFFAOYSA-N 1 0 313.333 1.188 20 5 DDBDRO CN(C)/C=C/c1cc(N[C@H]2CCC(=O)N(C)C2)ncc1[N+](=O)[O-] ZINC001156566202 863153856 /nfs/dbraw/zinc/15/38/56/863153856.db2.gz CDZYXMQCYXICKT-SYTKJHMZSA-N 1 0 319.365 1.555 20 5 DDBDRO Cc1ncc(C[NH3+])c(=N)n1-c1ccc2cccc([N+](=O)[O-])c2n1 ZINC001156828776 863373233 /nfs/dbraw/zinc/37/32/33/863373233.db2.gz DNNRNMPPCHBPME-UHFFFAOYSA-N 1 0 310.317 1.575 20 5 DDBDRO COc1cc(C)nc(N2C[C@@H]3CCC[N@H+](C)[C@@H]3C2)c1[N+](=O)[O-] ZINC001157266355 863695251 /nfs/dbraw/zinc/69/52/51/863695251.db2.gz RBEHOKKRAQEZAW-NWDGAFQWSA-N 1 0 306.366 1.837 20 5 DDBDRO C[NH2+]CCN(c1nc(NC(C)=O)nc(C)c1[N+](=O)[O-])C(C)(C)C ZINC001157835412 864179874 /nfs/dbraw/zinc/17/98/74/864179874.db2.gz BIFILIXYKQPUGP-UHFFFAOYSA-N 1 0 324.385 1.476 20 5 DDBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N2C[C@H](C)[NH2+][C@@H](C)C2)n1 ZINC001158173778 864468942 /nfs/dbraw/zinc/46/89/42/864468942.db2.gz WFIQDKAHECPQPW-BQBZGAKWSA-N 1 0 317.802 1.947 20 5 DDBDRO O=[N+]([O-])c1ccccc1-c1ccc(N2CC[N@@H+]3CC[C@@H]3C2)nn1 ZINC001158430067 864649738 /nfs/dbraw/zinc/64/97/38/864649738.db2.gz AUENFEDYXJOSCL-GFCCVEGCSA-N 1 0 311.345 1.946 20 5 DDBDRO CCC1([NH3+])CCN(C(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC001330957475 864736553 /nfs/dbraw/zinc/73/65/53/864736553.db2.gz NUDYPSDZGQXEOD-UHFFFAOYSA-N 1 0 307.350 1.947 20 5 DDBDRO C[NH+]1CC2(CN(c3cc4ncnc(Cl)c4cc3[N+](=O)[O-])C2)C1 ZINC001158864457 864945947 /nfs/dbraw/zinc/94/59/47/864945947.db2.gz PZZNGJYWHCWATD-UHFFFAOYSA-N 1 0 319.752 1.943 20 5 DDBDRO [NH3+]CCOCCOCCNc1ncc(Cl)cc1[N+](=O)[O-] ZINC001159443213 865298631 /nfs/dbraw/zinc/29/86/31/865298631.db2.gz NOBDHIZXCDIDKS-UHFFFAOYSA-N 1 0 304.734 1.047 20 5 DDBDRO CCOC(=O)C1C[NH2+]CCC1=Nc1ncc(OC)cc1[N+](=O)[O-] ZINC001159453501 865310820 /nfs/dbraw/zinc/31/08/20/865310820.db2.gz VMLTZDYKEGJQQK-UHFFFAOYSA-N 1 0 322.321 1.221 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])cnc1Nc1ccc(C[NH3+])nc1 ZINC001160397559 865815018 /nfs/dbraw/zinc/81/50/18/865815018.db2.gz VUBIAPFRUBOUSX-UHFFFAOYSA-N 1 0 303.278 1.374 20 5 DDBDRO COc1ncnc(N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1[N+](=O)[O-] ZINC001160468500 865864305 /nfs/dbraw/zinc/86/43/05/865864305.db2.gz BDMMROKXOCAWIS-RTCCRHLQSA-N 1 0 307.354 1.821 20 5 DDBDRO Cc1cc2c(ccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)c2F)[nH]1 ZINC001225642917 881955555 /nfs/dbraw/zinc/95/55/55/881955555.db2.gz VLXPYMQLGSXEPD-LLVKDONJSA-N 1 0 309.361 1.978 20 5 DDBDRO COc1nc(C)c(NCCCN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC001161708670 866919947 /nfs/dbraw/zinc/91/99/47/866919947.db2.gz PYRBUWIZCORCNW-UHFFFAOYSA-N 1 0 323.397 1.356 20 5 DDBDRO [NH3+]C1CCN(CCNc2ccc3ccc([N+](=O)[O-])cc3n2)CC1 ZINC001161867182 867043916 /nfs/dbraw/zinc/04/39/16/867043916.db2.gz DKCHLRJKEKRBGR-UHFFFAOYSA-N 1 0 315.377 1.978 20 5 DDBDRO Cc1nc(Cl)c([N+](=O)[O-])c(NC[C@H]2C[NH2+]CC(C)(C)O2)n1 ZINC001161954333 867138835 /nfs/dbraw/zinc/13/88/35/867138835.db2.gz SCLGJAFWOWKCMO-MRVPVSSYSA-N 1 0 315.761 1.526 20 5 DDBDRO C[C@@H](CN1CC[NH2+]CC1)Nc1ccc2c([N+](=O)[O-])c[nH]c2n1 ZINC001162090598 867240837 /nfs/dbraw/zinc/24/08/37/867240837.db2.gz SAHSFRYCDGWMCH-JTQLQIEISA-N 1 0 304.354 1.177 20 5 DDBDRO COC(=O)[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001324531651 867336500 /nfs/dbraw/zinc/33/65/00/867336500.db2.gz DRLIMARRAKRHLV-MCIONIFRSA-N 1 0 308.334 1.560 20 5 DDBDRO CCOC(=O)c1cccc([N+](=O)[O-])c1NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC001162477764 867561968 /nfs/dbraw/zinc/56/19/68/867561968.db2.gz PAXUIVHUSHJOOD-UWVGGRQHSA-N 1 0 311.313 1.883 20 5 DDBDRO O=C(NCC[NH+]1CC=CC1)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001334609216 867707215 /nfs/dbraw/zinc/70/72/15/867707215.db2.gz XQPKVRWJKOIXNC-GJZGRUSLSA-N 1 0 301.346 1.686 20 5 DDBDRO C[C@H]([NH3+])c1nc2ccccc2n1-c1cc([N+](=O)[O-])c(=O)n(C)c1 ZINC001162766512 867808972 /nfs/dbraw/zinc/80/89/72/867808972.db2.gz OVICJURLTFMRSK-VIFPVBQESA-N 1 0 313.317 1.652 20 5 DDBDRO O=[N+]([O-])c1ccc2ncnc(NC[C@@H]3CC[NH2+]C[C@@H]3F)c2c1 ZINC001162801540 867833567 /nfs/dbraw/zinc/83/35/67/867833567.db2.gz AVFACHADWXHFEF-CABZTGNLSA-N 1 0 305.313 1.898 20 5 DDBDRO Cc1nc(Nc2ccc([C@H](C[NH3+])CO)cc2)ncc1[N+](=O)[O-] ZINC001163058480 868045873 /nfs/dbraw/zinc/04/58/73/868045873.db2.gz JUCVJIMICMFYMF-LLVKDONJSA-N 1 0 303.322 1.471 20 5 DDBDRO COc1ccnc(NCC[C@H]2CCOC23C[NH2+]C3)c1[N+](=O)[O-] ZINC001163079721 868063282 /nfs/dbraw/zinc/06/32/82/868063282.db2.gz CNOQWRVUUDOJQQ-JTQLQIEISA-N 1 0 308.338 1.179 20 5 DDBDRO CCCC(=O)NCCC1(C[NH2+]Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC001163162010 868175890 /nfs/dbraw/zinc/17/58/90/868175890.db2.gz KCKZCCFAYDQILK-UHFFFAOYSA-N 1 0 323.397 1.505 20 5 DDBDRO C[C@H](CNC(=O)N[C@@H]1CC[NH2+][C@H]1C)c1ccccc1[N+](=O)[O-] ZINC001336160650 868765126 /nfs/dbraw/zinc/76/51/26/868765126.db2.gz VZCPGTHVKVMWHH-NTZNESFSSA-N 1 0 306.366 1.748 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(NCC2([NH+](C)C)CCN(C)CC2)n1 ZINC001164211736 869018304 /nfs/dbraw/zinc/01/83/04/869018304.db2.gz RDRHRAFHFMXNDJ-UHFFFAOYSA-N 1 0 307.398 1.736 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CCNc2ncccn2)cc1 ZINC001336722636 869108681 /nfs/dbraw/zinc/10/86/81/869108681.db2.gz LEBKCTZJHIABPN-ZDUSSCGKSA-N 1 0 303.322 1.120 20 5 DDBDRO [NH3+][C@@H]1CN(C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)C[C@H]1F ZINC001165116958 869385300 /nfs/dbraw/zinc/38/53/00/869385300.db2.gz LIQYIWXYVPGDBS-HTQZYQBOSA-N 1 0 310.663 1.674 20 5 DDBDRO CN(C)/C=C\c1cc(N2CC[N@@H+]3CC[C@H]3C2)ncc1[N+](=O)[O-] ZINC001165198351 869422751 /nfs/dbraw/zinc/42/27/51/869422751.db2.gz JMNFRUIWKJPLIC-DXTPNHAXSA-N 1 0 303.366 1.416 20 5 DDBDRO COc1ncnc(N2CCC3(CCCC[NH2+]3)CC2)c1[N+](=O)[O-] ZINC001165247082 869464295 /nfs/dbraw/zinc/46/42/95/869464295.db2.gz NLPYADCGZPXVPS-UHFFFAOYSA-N 1 0 307.354 1.506 20 5 DDBDRO O=[N+]([O-])c1c(N2CCC23CCCC3)ncnc1N1CC[NH2+]CC1 ZINC001165281178 869490671 /nfs/dbraw/zinc/49/06/71/869490671.db2.gz RWGGFDIMVVMCQD-UHFFFAOYSA-N 1 0 318.381 1.317 20 5 DDBDRO O=[N+]([O-])c1cnc(N2C[C@H]3C[NH2+]C[C@@]3(CO)C2)c2ccccc21 ZINC001165284127 869492792 /nfs/dbraw/zinc/49/27/92/869492792.db2.gz VJRPYZZUUWHOMA-BZNIZROVSA-N 1 0 314.345 1.161 20 5 DDBDRO O=[N+]([O-])c1ccc2c(ccnc2N2CCOCC23C[NH2+]C3)c1 ZINC001165287100 869497600 /nfs/dbraw/zinc/49/76/00/869497600.db2.gz ODGALPWMBXEEMF-UHFFFAOYSA-N 1 0 300.318 1.322 20 5 DDBDRO [NH3+][C@H]1[C@H]2CN(C(F)(F)c3cnc(Cl)c([N+](=O)[O-])c3)C[C@@H]12 ZINC001165380802 869555045 /nfs/dbraw/zinc/55/50/45/869555045.db2.gz KCKMOIPSWWXGTC-SRSLHRDFSA-N 1 0 304.684 1.581 20 5 DDBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N2C[C@@H]3[C@H]([NH3+])[C@@H]3C2)n1 ZINC001165382667 869555096 /nfs/dbraw/zinc/55/50/96/869555096.db2.gz CIYOGEXGOOFFCE-FPFOFBBKSA-N 1 0 301.759 1.153 20 5 DDBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N2CCC(C3C[NH2+]C3)CC2)n1 ZINC001165408798 869573910 /nfs/dbraw/zinc/57/39/10/869573910.db2.gz GTGNTBOXEYKXGM-UHFFFAOYSA-N 1 0 311.773 1.782 20 5 DDBDRO NC(=O)c1ccccc1CNc1cc2c(cc1[N+](=O)[O-])C[NH2+]C2 ZINC001166208455 869903819 /nfs/dbraw/zinc/90/38/19/869903819.db2.gz SVSOSERJJJFTAQ-UHFFFAOYSA-N 1 0 312.329 1.909 20 5 DDBDRO COc1ccc(C(=O)NC[C@H]2CCCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC001338295400 869909978 /nfs/dbraw/zinc/90/99/78/869909978.db2.gz RQQJKVGVHCVURI-GFCCVEGCSA-N 1 0 307.350 1.818 20 5 DDBDRO C[C@@H](CNC(=O)N[C@@H]1C[NH2+]C[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC001338673075 870108943 /nfs/dbraw/zinc/10/89/43/870108943.db2.gz KKTZPKQCRDVQBH-DMDPSCGWSA-N 1 0 306.366 1.605 20 5 DDBDRO [NH3+]C[C@H]1CN(c2ccc(-c3ccc([N+](=O)[O-])cc3)nn2)CCO1 ZINC001166939825 870400690 /nfs/dbraw/zinc/40/06/90/870400690.db2.gz ORFHOIRNQZCEFM-ZDUSSCGKSA-N 1 0 315.333 1.216 20 5 DDBDRO [NH3+]C[C@H]1CN(c2nc(Cl)cc(Cl)c2[N+](=O)[O-])CCO1 ZINC001166941032 870402581 /nfs/dbraw/zinc/40/25/81/870402581.db2.gz YRMCTHHYEBTUKX-LURJTMIESA-N 1 0 307.137 1.461 20 5 DDBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC001340165181 870929922 /nfs/dbraw/zinc/92/99/22/870929922.db2.gz RQZUNGBKQXNYSO-IUCAKERBSA-N 1 0 313.354 1.747 20 5 DDBDRO [NH3+]CC[C@H](NC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)C(F)F ZINC001340164143 870930245 /nfs/dbraw/zinc/93/02/45/870930245.db2.gz MZTXSPVZILWGAE-SRVKXCTJSA-N 1 0 313.304 1.797 20 5 DDBDRO CN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)c1cc(F)c[nH]1 ZINC001317612015 871200156 /nfs/dbraw/zinc/20/01/56/871200156.db2.gz NJXWIWYCIUYESZ-UHFFFAOYSA-N 1 0 320.324 1.924 20 5 DDBDRO CC[N@H+](C)[C@H]1CCN(C(=O)c2cc(OC)ccc2[N+](=O)[O-])C1 ZINC001306055478 871318915 /nfs/dbraw/zinc/31/89/15/871318915.db2.gz FWCCERMIFNZKCF-NSHDSACASA-N 1 0 307.350 1.770 20 5 DDBDRO Cn1cc([N+](=O)[O-])c(NC2CC[NH+](C[C@H]3CCCO3)CC2)n1 ZINC001306932318 871383616 /nfs/dbraw/zinc/38/36/16/871383616.db2.gz RNFKDNKPUMLNKP-GFCCVEGCSA-N 1 0 309.370 1.384 20 5 DDBDRO Cc1c(Br)c(N2CC=C(N)[NH2+]2)ncc1[N+](=O)[O-] ZINC001307206172 871408198 /nfs/dbraw/zinc/40/81/98/871408198.db2.gz DKMMZOWSPMPYPS-UHFFFAOYSA-N 1 0 300.116 1.185 20 5 DDBDRO Cc1cncc([N+](=O)[O-])c1NC(=O)NCC[N@@H+]1CCCC1(C)C ZINC001310521439 871639048 /nfs/dbraw/zinc/63/90/48/871639048.db2.gz KDGMQKHTXSGJGB-UHFFFAOYSA-N 1 0 321.381 1.716 20 5 DDBDRO C[N@H+](CCCNC(=O)CC(C)(C)O)Cc1ccc([N+](=O)[O-])cc1 ZINC001316821123 872114397 /nfs/dbraw/zinc/11/43/97/872114397.db2.gz LIDRLQBIBRFDEO-UHFFFAOYSA-N 1 0 323.393 1.694 20 5 DDBDRO C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC001318507008 872120307 /nfs/dbraw/zinc/12/03/07/872120307.db2.gz KZVYGFQRCJWWLD-OLZOCXBDSA-N 1 0 309.370 1.170 20 5 DDBDRO C[C@@H]1C[NH2+][C@@H](C)[C@@H](C)N1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC001342628969 872304222 /nfs/dbraw/zinc/30/42/22/872304222.db2.gz JSZGOFKLQHOTDD-FRRDWIJNSA-N 1 0 321.377 1.961 20 5 DDBDRO CN1CC[NH+](CCCO[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001206581155 872448965 /nfs/dbraw/zinc/44/89/65/872448965.db2.gz BGVPYZZLPJOQLZ-KRWDZBQOSA-N 1 0 319.405 1.716 20 5 DDBDRO Cc1nc(NCC(C)(C)N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001319130964 872454973 /nfs/dbraw/zinc/45/49/73/872454973.db2.gz UQYQUORJVAYEHK-UHFFFAOYSA-N 1 0 307.398 1.736 20 5 DDBDRO COc1cc(C(=O)NC[C@H]2CCCCC[NH2+]2)ccc1[N+](=O)[O-] ZINC001343085722 872494158 /nfs/dbraw/zinc/49/41/58/872494158.db2.gz OTRUUSJDLYVDTQ-GFCCVEGCSA-N 1 0 307.350 1.865 20 5 DDBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCN1CCNC1=S ZINC001207868511 873626196 /nfs/dbraw/zinc/62/61/96/873626196.db2.gz AXQJDIFTTRBBEO-GFCCVEGCSA-N 1 0 322.434 1.696 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(O[C@H]2C[NH+]3CCC2CC3)c1 ZINC001227043269 882792154 /nfs/dbraw/zinc/79/21/54/882792154.db2.gz CIGLQKDGYWYJOO-AWEZNQCLSA-N 1 0 306.318 1.854 20 5 DDBDRO Cc1nc(N2CCC([NH2+]C3CCOCC3)CC2)ncc1[N+](=O)[O-] ZINC001348313012 874477739 /nfs/dbraw/zinc/47/77/39/874477739.db2.gz WMRKAPCYRUJZCN-UHFFFAOYSA-N 1 0 321.381 1.431 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CCC(OCC(N)=O)CC1 ZINC001349597253 875253712 /nfs/dbraw/zinc/25/37/12/875253712.db2.gz VBZOACFUDSWQBP-UHFFFAOYSA-N 1 0 321.377 1.678 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc2oc(=O)ccc2c1 ZINC001227225042 882918914 /nfs/dbraw/zinc/91/89/14/882918914.db2.gz ILXHMJTULGSCOB-GFCCVEGCSA-N 1 0 306.338 1.156 20 5 DDBDRO C[C@@H]([NH3+])C1(C(=O)N(C)Cc2ccccc2[N+](=O)[O-])CCOCC1 ZINC001353115361 877132771 /nfs/dbraw/zinc/13/27/71/877132771.db2.gz UOHAFZPSOZCBES-GFCCVEGCSA-N 1 0 321.377 1.697 20 5 DDBDRO CCN(C(=O)CN(C)c1ccccc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC001353163572 877156060 /nfs/dbraw/zinc/15/60/60/877156060.db2.gz WTIGEFFRGSFEQU-GFCCVEGCSA-N 1 0 306.366 1.241 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CCN2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC001353312695 877246528 /nfs/dbraw/zinc/24/65/28/877246528.db2.gz UTLJDKWRQZSOMC-OWCLPIDISA-N 1 0 321.377 1.081 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CC[C@H](OC[C@H]3CCC[NH2+]C3)C2)nc1 ZINC001217907685 877354598 /nfs/dbraw/zinc/35/45/98/877354598.db2.gz CWBTVOFVTWWROK-JSGCOSHPSA-N 1 0 306.366 1.585 20 5 DDBDRO CN(C)C1(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC001356610373 879128785 /nfs/dbraw/zinc/12/87/85/879128785.db2.gz ODVNKAUBGZCKII-GFCCVEGCSA-N 1 0 309.366 1.018 20 5 DDBDRO COC1(C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)CC[NH2+]CC1 ZINC001358141827 880348554 /nfs/dbraw/zinc/34/85/54/880348554.db2.gz GKUBTKJIPVGOSA-NSHDSACASA-N 1 0 307.350 1.541 20 5 DDBDRO COc1ccc(OC)c(COC(=O)C[C@@H](O)C[N+](C)(C)C)c1 ZINC001222793262 880702171 /nfs/dbraw/zinc/70/21/71/880702171.db2.gz TXGJPAWZPPMEKS-CYBMUJFWSA-N 1 0 312.386 1.204 20 5 DDBDRO COC(=O)[C@@H](O[C@@H](C)C[N+](C)(C)C)c1ccccc1[N+](=O)[O-] ZINC001223649685 881044791 /nfs/dbraw/zinc/04/47/91/881044791.db2.gz UTMWFVCOFRBBMX-FZMZJTMJSA-N 1 0 311.358 1.920 20 5 DDBDRO COC(=O)c1cc(CO[C@@H]2CCC[N@H+](C)C2)cc([N+](=O)[O-])c1 ZINC001223689055 881058326 /nfs/dbraw/zinc/05/83/26/881058326.db2.gz SYAGNIRAJSMFGO-CQSZACIVSA-N 1 0 308.334 1.992 20 5 DDBDRO CNS(=O)(=O)c1ccc(CO[C@H](C)C[N+](C)(C)C)cc1 ZINC001224000889 881179324 /nfs/dbraw/zinc/17/93/24/881179324.db2.gz HIQIFZPVSOCZEF-GFCCVEGCSA-N 1 0 301.432 1.206 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ncnc2ccc(Cl)cc21 ZINC001227965037 883259885 /nfs/dbraw/zinc/25/98/85/883259885.db2.gz OMIKWDSTWMJEPC-LLVKDONJSA-N 1 0 324.788 1.646 20 5 DDBDRO O=c1nc2cc([N+](=O)[O-])ccc2c(O[C@@H]2C[NH+]3CCC2CC3)[nH]1 ZINC001228241333 883402209 /nfs/dbraw/zinc/40/22/09/883402209.db2.gz AGVPNEWXYOXJRN-CYBMUJFWSA-N 1 0 316.317 1.717 20 5 DDBDRO CCOC(=O)c1c[nH]c(=S)nc1O[C@H](C)C[N+](C)(C)C ZINC001228553791 883550507 /nfs/dbraw/zinc/55/05/07/883550507.db2.gz XUWQDZRHLDIGRG-SECBINFHSA-O 1 0 300.404 1.416 20 5 DDBDRO O=c1[nH]nc(O[C@@H]2C[NH+]3CCC2CC3)c2cc([N+](=O)[O-])ccc12 ZINC001229363608 883945204 /nfs/dbraw/zinc/94/52/04/883945204.db2.gz DMQSYSLWRKSLHO-CYBMUJFWSA-N 1 0 316.317 1.717 20 5 DDBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@H]2[NH2+][C@H]3CC[C@@H]2C3)n1 ZINC001248358986 893620965 /nfs/dbraw/zinc/62/09/65/893620965.db2.gz BRPRGPZXLFSUEW-PMVVWTBXSA-N 1 0 305.269 1.992 20 5 DDBDRO C[N@H+](CC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)[C@H]1CCSC1 ZINC001253838970 896133929 /nfs/dbraw/zinc/13/39/29/896133929.db2.gz RIVOTMJYKWWPTQ-AWEZNQCLSA-N 1 0 321.402 1.874 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+](C)CCN1CCOCC1 ZINC001254550954 896499167 /nfs/dbraw/zinc/49/91/67/896499167.db2.gz TZJBBPFQGGQJEH-CQSZACIVSA-N 1 0 307.394 1.790 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+](C[C@@H](O)CO)C(C)(C)C ZINC001254551802 896499697 /nfs/dbraw/zinc/49/96/97/896499697.db2.gz FWGSCZNGZWYPEW-TZMCWYRMSA-N 1 0 310.394 1.980 20 5 DDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CC[C@H](S(C)(=O)=O)C1 ZINC001254563359 896502305 /nfs/dbraw/zinc/50/23/05/896502305.db2.gz WVIWBXLZRWLGTB-AAEUAGOBSA-N 1 0 312.391 1.645 20 5 DDBDRO Cc1nc(CC[N@@H+](C)[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)no1 ZINC001254595035 896520433 /nfs/dbraw/zinc/52/04/33/896520433.db2.gz VDDPKVIDURHZNT-AWEZNQCLSA-N 1 0 302.334 1.928 20 5 DDBDRO CNC(=O)C1CC[NH+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254598482 896523816 /nfs/dbraw/zinc/52/38/16/896523816.db2.gz JWMKVFCSKHLWLW-OAHLLOKOSA-N 1 0 303.362 1.520 20 5 DDBDRO COc1cc(N2CCC([NH2+]CC(C)=O)CC2)ccc1[N+](=O)[O-] ZINC001256087080 897279613 /nfs/dbraw/zinc/27/96/13/897279613.db2.gz OOHFXQSBLRTODU-UHFFFAOYSA-N 1 0 307.350 1.751 20 5 DDBDRO [NH3+]CCN(CC(F)(F)F)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC001331995139 897837495 /nfs/dbraw/zinc/83/74/95/897837495.db2.gz SZCFFRJIPORBDN-UHFFFAOYSA-N 1 0 309.219 1.697 20 5 DDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC001261466629 899587254 /nfs/dbraw/zinc/58/72/54/899587254.db2.gz PWVVXYNATWPGEK-NSHDSACASA-N 1 0 306.366 1.838 20 5 DDBDRO C[C@H](CNC(=O)NC[C@H]1CCC[NH2+]C1)c1ccccc1[N+](=O)[O-] ZINC001262583695 900262250 /nfs/dbraw/zinc/26/22/50/900262250.db2.gz GTEULCNBQXGXEY-OLZOCXBDSA-N 1 0 320.393 1.997 20 5 DDBDRO C[C@@H]1C[C@H]1[C@@H]1C[C@H]1NC(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC001263196237 900528848 /nfs/dbraw/zinc/52/88/48/900528848.db2.gz MMHCCWNCDIUMLE-JCILWVLBSA-N 1 0 303.362 1.929 20 5 DDBDRO CC[N@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1ccc(C)cc1 ZINC001265113197 901578546 /nfs/dbraw/zinc/57/85/46/901578546.db2.gz DEDFNOCDYFNMGL-HZPDHXFCSA-N 1 0 319.405 1.988 20 5 DDBDRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000449719916 230638284 /nfs/dbraw/zinc/63/82/84/230638284.db2.gz RJSIFBYUTIWQCF-VXGBXAGGSA-N 1 0 306.366 1.640 20 5 DDBDRO C[C@@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000162692467 197585258 /nfs/dbraw/zinc/58/52/58/197585258.db2.gz ZQVKMDVMTJCLNH-UPJWGTAASA-N 1 0 310.350 1.349 20 5 DDBDRO COC[C@H](C)OC[C@@H](O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000278513719 214203671 /nfs/dbraw/zinc/20/36/71/214203671.db2.gz FJLDQMLXMSZKAJ-JSGCOSHPSA-N 1 0 312.366 1.439 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@]1(O)CCO[C@@H]1C ZINC000278632765 214289686 /nfs/dbraw/zinc/28/96/86/214289686.db2.gz KVMFACUMQRARQZ-ABAIWWIYSA-N 1 0 310.350 1.623 20 5 DDBDRO C[C@@H]([NH2+]CCC(=O)N1CCN(C)CC1)c1ccccc1[N+](=O)[O-] ZINC000266884582 282303235 /nfs/dbraw/zinc/30/32/35/282303235.db2.gz PUTASQRFCPEKRI-CYBMUJFWSA-N 1 0 320.393 1.410 20 5 DDBDRO Cn1cc([C@@H](CO)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)cn1 ZINC000275185096 282321194 /nfs/dbraw/zinc/32/11/94/282321194.db2.gz NXBGYGUSADBJRB-CQSZACIVSA-N 1 0 306.322 1.030 20 5 DDBDRO C[NH2+]CCCN(C)C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000424021539 529964394 /nfs/dbraw/zinc/96/43/94/529964394.db2.gz RKFAYBRXJQMWMT-UHFFFAOYSA-N 1 0 302.334 1.825 20 5 DDBDRO C[NH2+]C[C@H]1CCCN1C(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000422892128 530002991 /nfs/dbraw/zinc/00/29/91/530002991.db2.gz MHTJNZHLZHOVBB-GFCCVEGCSA-N 1 0 321.333 1.205 20 5 DDBDRO CC[N@@H+]1CCC[C@@H]1CNc1nc(C)cc(C(=O)OC)c1[N+](=O)[O-] ZINC000286746684 219142795 /nfs/dbraw/zinc/14/27/95/219142795.db2.gz FKHDCRIYPOHZAQ-LLVKDONJSA-N 1 0 322.365 1.981 20 5 DDBDRO C[N@@H+]1CCC[C@H]1CNC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000299354231 530063043 /nfs/dbraw/zinc/06/30/43/530063043.db2.gz AOZNWOHJBHBWPG-JTQLQIEISA-N 1 0 311.313 1.323 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000564563990 304001452 /nfs/dbraw/zinc/00/14/52/304001452.db2.gz LOYBROSFUCXHJF-LLVKDONJSA-N 1 0 307.350 1.947 20 5 DDBDRO COc1cc(C(=O)N[C@@H]2CCC[NH2+][C@H]2C)cc([N+](=O)[O-])c1OC ZINC000277447653 213533078 /nfs/dbraw/zinc/53/30/78/213533078.db2.gz FZIBFTQUCFOWML-GXSJLCMTSA-N 1 0 323.349 1.482 20 5 DDBDRO C[C@H]([NH2+]CC(=O)NCC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000173331974 186177399 /nfs/dbraw/zinc/17/73/99/186177399.db2.gz UPUCTEZRQHXTNK-QMMMGPOBSA-N 1 0 305.256 1.924 20 5 DDBDRO C[C@H](O)C1CC[NH+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000181869084 186213039 /nfs/dbraw/zinc/21/30/39/186213039.db2.gz NQFMQVSZCXLGJF-JSGCOSHPSA-N 1 0 324.377 1.427 20 5 DDBDRO CC[C@@H]1CN(c2cc(C)c([N+](=O)[O-])cn2)CC[N@@H+]1C[C@@H](C)O ZINC000266849087 186358760 /nfs/dbraw/zinc/35/87/60/186358760.db2.gz QBOPVBYYCFYYRJ-CHWSQXEVSA-N 1 0 308.382 1.580 20 5 DDBDRO CN1CC[NH+](CCCCNC(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000041362694 352304838 /nfs/dbraw/zinc/30/48/38/352304838.db2.gz CIBSNIOZVZVSBT-UHFFFAOYSA-N 1 0 320.393 1.352 20 5 DDBDRO Nc1c(C(=O)NC2CC[NH+](C3CC3)CC2)cc(F)cc1[N+](=O)[O-] ZINC000048245996 352531734 /nfs/dbraw/zinc/53/17/34/352531734.db2.gz PJPUTVARHCYCSR-UHFFFAOYSA-N 1 0 322.340 1.673 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCC[NH2+]C2CC2)cc1C ZINC000054266975 352685207 /nfs/dbraw/zinc/68/52/07/352685207.db2.gz NLCKSZMZEOFIOG-UHFFFAOYSA-N 1 0 313.379 1.242 20 5 DDBDRO C[C@@H]1CCC[N@H+](CCNC(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000173101617 198184735 /nfs/dbraw/zinc/18/47/35/198184735.db2.gz GUMGIIAIKXVUAB-CYBMUJFWSA-N 1 0 305.378 1.985 20 5 DDBDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000063490241 352914342 /nfs/dbraw/zinc/91/43/42/352914342.db2.gz BPSWVYALJZRHMD-CQSZACIVSA-N 1 0 305.378 1.984 20 5 DDBDRO CC(C)[NH+]1CCC(N(C)C(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000063575371 352916056 /nfs/dbraw/zinc/91/60/56/352916056.db2.gz LJMKEKGNIRPHHN-UHFFFAOYSA-N 1 0 323.397 1.513 20 5 DDBDRO CC[NH+](CC)CCNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000067148458 353035432 /nfs/dbraw/zinc/03/54/32/353035432.db2.gz ULEDNOKDXFDVBR-UHFFFAOYSA-N 1 0 323.349 1.438 20 5 DDBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000173564314 198228456 /nfs/dbraw/zinc/22/84/56/198228456.db2.gz ZALOMTPQVPANAM-LBPRGKRZSA-N 1 0 320.393 1.981 20 5 DDBDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000068935886 353137819 /nfs/dbraw/zinc/13/78/19/353137819.db2.gz BPSWVYALJZRHMD-AWEZNQCLSA-N 1 0 305.378 1.984 20 5 DDBDRO C[C@@H]1COCC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000331928305 234287813 /nfs/dbraw/zinc/28/78/13/234287813.db2.gz DCCVQIMWZFLELA-QWHCGFSZSA-N 1 0 310.350 1.303 20 5 DDBDRO COc1ccc(C(=O)N2CCC([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000078641593 353526156 /nfs/dbraw/zinc/52/61/56/353526156.db2.gz OPKMVDSVPZDCLP-UHFFFAOYSA-N 1 0 307.350 1.770 20 5 DDBDRO C[N@@H+]1CCC[C@H]1CNC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000139421255 354127946 /nfs/dbraw/zinc/12/79/46/354127946.db2.gz HNJWQCGMBKLLCG-LBPRGKRZSA-N 1 0 321.381 1.400 20 5 DDBDRO [NH3+]C1(CNC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CCC1 ZINC000357222696 291019499 /nfs/dbraw/zinc/01/94/99/291019499.db2.gz HWTIYUZELBXLHG-UHFFFAOYSA-N 1 0 315.333 1.392 20 5 DDBDRO COc1cc(C(=O)NC2CC[NH+](C3CC3)CC2)ccc1[N+](=O)[O-] ZINC000159379200 354233533 /nfs/dbraw/zinc/23/35/33/354233533.db2.gz ANNMAFVSJIHBMT-UHFFFAOYSA-N 1 0 319.361 1.960 20 5 DDBDRO C[C@@H]1CSCC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000246932419 354362723 /nfs/dbraw/zinc/36/27/23/354362723.db2.gz DRLUAKVRTAVZJX-DGCLKSJQSA-N 1 0 312.391 1.772 20 5 DDBDRO [NH3+]CC[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000307889040 354472180 /nfs/dbraw/zinc/47/21/80/354472180.db2.gz XOQUMUOFJAJSBJ-SECBINFHSA-N 1 0 306.244 1.996 20 5 DDBDRO C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000320802883 354528989 /nfs/dbraw/zinc/52/89/89/354528989.db2.gz PTKUDCSIFGVFKT-QWHCGFSZSA-N 1 0 318.377 1.241 20 5 DDBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C1CN(c2ccncn2)C1 ZINC000601304252 358487695 /nfs/dbraw/zinc/48/76/95/358487695.db2.gz OOSDSLOYIKWOLY-AWEZNQCLSA-N 1 0 311.345 1.851 20 5 DDBDRO CCCN(CC[NH+]1CCCC1)c1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000588070211 354899256 /nfs/dbraw/zinc/89/92/56/354899256.db2.gz QJSALJNBURXLKI-UHFFFAOYSA-N 1 0 322.409 1.982 20 5 DDBDRO Nc1cc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc(CO)c1[N+](=O)[O-] ZINC000587309778 354881778 /nfs/dbraw/zinc/88/17/78/354881778.db2.gz QUGNMBCJONQTNA-DGCLKSJQSA-N 1 0 306.366 1.708 20 5 DDBDRO O=[N+]([O-])c1ccc(OCCC[N@H+]2CC[C@@H](CO)[C@@H](O)C2)cc1 ZINC000588966443 354952964 /nfs/dbraw/zinc/95/29/64/354952964.db2.gz ZIMUGFGVIKAJEX-WFASDCNBSA-N 1 0 310.350 1.039 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(CN2CCC[C@@H](CO)C2)c1 ZINC000589494676 354996273 /nfs/dbraw/zinc/99/62/73/354996273.db2.gz XRYAFVJQUSHKMJ-LLVKDONJSA-N 1 0 308.334 1.586 20 5 DDBDRO CC[C@]1(O)CC[N@H+](Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C1 ZINC000589515034 354998535 /nfs/dbraw/zinc/99/85/35/354998535.db2.gz OJGBUPHCMWPEEY-HNNXBMFYSA-N 1 0 308.334 1.728 20 5 DDBDRO COc1c(C(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)cccc1[N+](=O)[O-] ZINC000590447652 355099804 /nfs/dbraw/zinc/09/98/04/355099804.db2.gz ZRENJKZSRAHWEG-GWCFXTLKSA-N 1 0 305.334 1.380 20 5 DDBDRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000591083760 355245547 /nfs/dbraw/zinc/24/55/47/355245547.db2.gz DPLHDZOLGYCNDL-HNKHHVNMSA-N 1 0 315.373 1.861 20 5 DDBDRO Cc1ccc(NCCCNC(=O)NC/C=C\C[NH3+])c([N+](=O)[O-])c1 ZINC000591352750 355296661 /nfs/dbraw/zinc/29/66/61/355296661.db2.gz DKKYJIKJHIXYTG-IHWYPQMZSA-N 1 0 321.381 1.519 20 5 DDBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000591356134 355298138 /nfs/dbraw/zinc/29/81/38/355298138.db2.gz TUTHJTYHDCGFHM-HIFRSBDPSA-N 1 0 318.377 1.531 20 5 DDBDRO Cc1ncc(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)s1 ZINC000591729220 355374169 /nfs/dbraw/zinc/37/41/69/355374169.db2.gz OPUSFZGUDILZTM-GFCCVEGCSA-N 1 0 323.374 1.889 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CC2(C3CCC3)CCC2)c1 ZINC000591771226 355382104 /nfs/dbraw/zinc/38/21/04/355382104.db2.gz WNVKUJGNTFGRIH-AWEZNQCLSA-N 1 0 308.382 1.712 20 5 DDBDRO COc1cc(C(=O)N2CC[NH2+][C@@H](C(C)C)C2)cc([N+](=O)[O-])c1C ZINC000592248225 355546902 /nfs/dbraw/zinc/54/69/02/355546902.db2.gz WSQSJWXQWQIHSV-CYBMUJFWSA-N 1 0 321.377 1.982 20 5 DDBDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 ZINC000592331201 355560558 /nfs/dbraw/zinc/56/05/58/355560558.db2.gz OIONORLUAFVZCC-NXEZZACHSA-N 1 0 321.333 1.366 20 5 DDBDRO O=[N+]([O-])c1cc2c(cc1CN1CC[C@@H]3[NH2+]CC[C@@H]3C1)OCCO2 ZINC000592433586 355582891 /nfs/dbraw/zinc/58/28/91/355582891.db2.gz DMMFYKHSHYPMEQ-YPMHNXCESA-N 1 0 319.361 1.550 20 5 DDBDRO CC[C@@H]1CN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC[C@H]1[NH3+] ZINC000592489223 355598319 /nfs/dbraw/zinc/59/83/19/355598319.db2.gz UEGFPVNQWWCYLF-IUODEOHRSA-N 1 0 320.393 1.617 20 5 DDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)s1 ZINC000592381270 355571008 /nfs/dbraw/zinc/57/10/08/355571008.db2.gz DLFAWDAAFDLHRH-IUCAKERBSA-N 1 0 317.392 1.029 20 5 DDBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593175625 355817213 /nfs/dbraw/zinc/81/72/13/355817213.db2.gz WRBJKOAKQIAFHU-CYBMUJFWSA-N 1 0 309.341 1.829 20 5 DDBDRO C[C@@H]1[C@@H](C)[N@@H+](C)C[C@H](C)N1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000593187721 355819829 /nfs/dbraw/zinc/81/98/29/355819829.db2.gz OIVRHKYZESLSSV-YNEHKIRRSA-N 1 0 321.377 1.913 20 5 DDBDRO C[C@@H]1[C@@H](C)[N@@H+](C)C[C@H](C)N1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000593186971 355820033 /nfs/dbraw/zinc/82/00/33/355820033.db2.gz BMIJCOFGDXPBLU-YNEHKIRRSA-N 1 0 321.377 1.913 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1N1CC[N@H+](C)C[C@H]1Cc1ccccc1 ZINC000593503348 355905750 /nfs/dbraw/zinc/90/57/50/355905750.db2.gz IJLVTUFJJALWPH-CQSZACIVSA-N 1 0 315.377 1.691 20 5 DDBDRO O=C(CN1C[C@H]2CC[C@@H](C1)[NH2+]2)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000601329076 358500124 /nfs/dbraw/zinc/50/01/24/358500124.db2.gz DRSPAIHSXVQHIC-AOOOYVTPSA-N 1 0 324.768 1.623 20 5 DDBDRO [NH3+]CC1(CCNC(=O)CSc2ccc([N+](=O)[O-])cc2)CC1 ZINC000593913675 356057502 /nfs/dbraw/zinc/05/75/02/356057502.db2.gz CCQKTQSWMCYRPD-UHFFFAOYSA-N 1 0 309.391 1.932 20 5 DDBDRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000593918608 356060653 /nfs/dbraw/zinc/06/06/53/356060653.db2.gz GRMJVMVEYJOUKS-WZRBSPASSA-N 1 0 323.349 1.689 20 5 DDBDRO COc1ccc(CC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000594103254 356113719 /nfs/dbraw/zinc/11/37/19/356113719.db2.gz WZNHLJRBSPIXLC-BETUJISGSA-N 1 0 321.377 1.602 20 5 DDBDRO C[C@@H](O)C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000594063589 356103898 /nfs/dbraw/zinc/10/38/98/356103898.db2.gz IWUUKZBUTQZDGQ-LLVKDONJSA-N 1 0 307.350 1.769 20 5 DDBDRO CCC[C@@H]1CN(c2ccncc2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000346663073 283142016 /nfs/dbraw/zinc/14/20/16/283142016.db2.gz WHJPUWXPYCZPJB-CYBMUJFWSA-N 1 0 308.382 1.927 20 5 DDBDRO CCC(C)(C)[NH+]1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000594390072 356194275 /nfs/dbraw/zinc/19/42/75/356194275.db2.gz RWTPEGNVQSOZSN-UHFFFAOYSA-N 1 0 309.370 1.124 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@@H]2CCC3(CCCC3)O2)c1 ZINC000594575087 356253208 /nfs/dbraw/zinc/25/32/08/356253208.db2.gz PAFUJDCEIICQFC-KBPBESRZSA-N 1 0 324.381 1.234 20 5 DDBDRO CN(C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)C1CC[NH+](C)CC1 ZINC000594656051 356277455 /nfs/dbraw/zinc/27/74/55/356277455.db2.gz QXLFFKMINNLSHZ-UHFFFAOYSA-N 1 0 321.333 1.490 20 5 DDBDRO Cc1ccc(CC[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1C ZINC000594716109 356294552 /nfs/dbraw/zinc/29/45/52/356294552.db2.gz JFPIRYZSOKEMDB-INIZCTEOSA-N 1 0 318.377 1.601 20 5 DDBDRO C[C@]1(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1(F)F ZINC000594732742 356300792 /nfs/dbraw/zinc/30/07/92/356300792.db2.gz MPMCHYGBSPZXKS-GXFFZTMASA-N 1 0 316.304 1.969 20 5 DDBDRO C[NH2+]C[C@@H](C)NS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000595119110 356385435 /nfs/dbraw/zinc/38/54/35/356385435.db2.gz MFPCTIXOCOJWRQ-SECBINFHSA-N 1 0 301.368 1.098 20 5 DDBDRO COc1cc(CN2CC[C@@H]([NH3+])[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000347036832 283156687 /nfs/dbraw/zinc/15/66/87/283156687.db2.gz HIOIXKCUWLDPOP-ZYHUDNBSSA-N 1 0 309.366 1.781 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000595258457 356423114 /nfs/dbraw/zinc/42/31/14/356423114.db2.gz MRLCDAGLNQNOGN-PWSUYJOCSA-N 1 0 307.350 1.803 20 5 DDBDRO C[C@@H]([NH2+]CCN1C(=O)CN(C)C1=O)c1ccccc1[N+](=O)[O-] ZINC000595420408 356485781 /nfs/dbraw/zinc/48/57/81/356485781.db2.gz DHZWHFLQGLPDCJ-SNVBAGLBSA-N 1 0 306.322 1.139 20 5 DDBDRO Cc1noc(CN2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)c1[N+](=O)[O-] ZINC000595470671 356506684 /nfs/dbraw/zinc/50/66/84/356506684.db2.gz OOLHOPPVYITOGS-JTQLQIEISA-N 1 0 312.370 1.168 20 5 DDBDRO Cc1noc(CN[C@@](C)(CO)c2cccc(O)c2)c1[N+](=O)[O-] ZINC000595496857 356518771 /nfs/dbraw/zinc/51/87/71/356518771.db2.gz JWMZKOQOUVQJOX-AWEZNQCLSA-N 1 0 307.306 1.594 20 5 DDBDRO CCCC[C@H](C[NH3+])NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000236891636 202055796 /nfs/dbraw/zinc/05/57/96/202055796.db2.gz WJZJKLRFDSYPGJ-SNVBAGLBSA-N 1 0 313.329 1.746 20 5 DDBDRO O=C1CC[C@@H]2C[N@H+](CCOc3ccc([N+](=O)[O-])cc3)CC[C@@H]2N1 ZINC000595745621 356633668 /nfs/dbraw/zinc/63/36/68/356633668.db2.gz YSSWJUZDQKGQDK-DOMZBBRYSA-N 1 0 319.361 1.574 20 5 DDBDRO C[C@H](O)[C@H]1CCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000595766961 356644297 /nfs/dbraw/zinc/64/42/97/356644297.db2.gz SRMXFKSCLOKGED-SMDDNHRTSA-N 1 0 307.350 1.769 20 5 DDBDRO C[C@H](O)[C@H]1CCC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000595765843 356644307 /nfs/dbraw/zinc/64/43/07/356644307.db2.gz KGJMEMQSUYSDII-GXFFZTMASA-N 1 0 318.333 1.990 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@@H]3COC[C@H]3C2)c1 ZINC000595826787 356665894 /nfs/dbraw/zinc/66/58/94/356665894.db2.gz IOEKLKUNKQGBAJ-TZMCWYRMSA-N 1 0 320.345 1.850 20 5 DDBDRO CC(C)([NH3+])c1cc(C(=O)NCc2cccc([N+](=O)[O-])c2)on1 ZINC000595924316 356706668 /nfs/dbraw/zinc/70/66/68/356706668.db2.gz AYBWVOSPBOHXGE-UHFFFAOYSA-N 1 0 304.306 1.707 20 5 DDBDRO O=C(N1CCc2ncc([N+](=O)[O-])cc2C1)C1([NH2+]C2CC2)CCC1 ZINC000595954462 356721516 /nfs/dbraw/zinc/72/15/16/356721516.db2.gz TUZCAJBBFMGDIO-UHFFFAOYSA-N 1 0 316.361 1.549 20 5 DDBDRO CC(C)C[C@H](C[NH3+])CC(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000595953891 356721902 /nfs/dbraw/zinc/72/19/02/356721902.db2.gz NZCXMMOGQDXVEQ-LBPRGKRZSA-N 1 0 320.393 1.886 20 5 DDBDRO C[C@]1(NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CC[NH2+]C1 ZINC000595992958 356739321 /nfs/dbraw/zinc/73/93/21/356739321.db2.gz UVFVJXOXLKWXBO-HNNXBMFYSA-N 1 0 316.317 1.330 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@]2(C)CC[NH2+]C2)c1 ZINC000596048841 356753019 /nfs/dbraw/zinc/75/30/19/356753019.db2.gz DMGFXOKCARKWHE-CYBMUJFWSA-N 1 0 313.379 1.242 20 5 DDBDRO NC(=O)c1cc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000596081870 356765638 /nfs/dbraw/zinc/76/56/38/356765638.db2.gz AXYKFFQPWVOZEN-NWDGAFQWSA-N 1 0 304.350 1.732 20 5 DDBDRO C[NH+](C)CC1CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000596082396 356766743 /nfs/dbraw/zinc/76/67/43/356766743.db2.gz JJMQOUFGIUIKEB-UHFFFAOYSA-N 1 0 306.366 1.472 20 5 DDBDRO CS[C@H]1CN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)C[C@H]1[NH+](C)C ZINC000596176614 356802763 /nfs/dbraw/zinc/80/27/63/356802763.db2.gz CPMGULUYUJGDBS-OLZOCXBDSA-N 1 0 324.406 1.176 20 5 DDBDRO C[C@H](C1CC[NH+](C)CC1)N(C)c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596182731 356805201 /nfs/dbraw/zinc/80/52/01/356805201.db2.gz GQRUULYBXBSQNX-LLVKDONJSA-N 1 0 320.393 1.860 20 5 DDBDRO Cc1cnc(N2CCC(CO)([NH2+]C(C)C)CC2)c([N+](=O)[O-])c1 ZINC000596251074 356832249 /nfs/dbraw/zinc/83/22/49/356832249.db2.gz LOZBBCFCOYHQBJ-UHFFFAOYSA-N 1 0 308.382 1.628 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3CCCOCC3)CC2)nc1 ZINC000596268341 356839008 /nfs/dbraw/zinc/83/90/08/356839008.db2.gz JSQPODOBOZFYGM-UHFFFAOYSA-N 1 0 306.366 1.681 20 5 DDBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000597701286 357291971 /nfs/dbraw/zinc/29/19/71/357291971.db2.gz SDZZBUAQRQOMQY-PWSUYJOCSA-N 1 0 309.370 1.077 20 5 DDBDRO CCN(C(=O)CCn1cc([N+](=O)[O-])nc1C)[C@H]1CC[N@H+](C)C1 ZINC000597945059 357393955 /nfs/dbraw/zinc/39/39/55/357393955.db2.gz HHVSOADOLBTNJP-LBPRGKRZSA-N 1 0 309.370 1.042 20 5 DDBDRO CCN(C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)[C@@H]1CC[N@H+](CC)C1 ZINC000598038276 357436928 /nfs/dbraw/zinc/43/69/28/357436928.db2.gz BTUCKGFALKGHHX-LLVKDONJSA-N 1 0 308.338 1.252 20 5 DDBDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000598262879 357513033 /nfs/dbraw/zinc/51/30/33/357513033.db2.gz NDCKSBIZCSIADA-LBPRGKRZSA-N 1 0 309.370 1.028 20 5 DDBDRO Cc1n[nH]c(C(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000598262870 357513179 /nfs/dbraw/zinc/51/31/79/357513179.db2.gz NAZJIEDOJZKWDH-JTQLQIEISA-N 1 0 309.370 1.477 20 5 DDBDRO COc1cc(C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)cc([N+](=O)[O-])c1C ZINC000598668247 357678217 /nfs/dbraw/zinc/67/82/17/357678217.db2.gz RCOPRGZQYWYCNQ-WBMJQRKESA-N 1 0 319.361 1.865 20 5 DDBDRO NC(=O)c1ccc(CN2C[C@H]3CCC[C@]3([NH3+])C2)c([N+](=O)[O-])c1 ZINC000598682859 357686197 /nfs/dbraw/zinc/68/61/97/357686197.db2.gz PLKQORNTRYKQFD-DOMZBBRYSA-N 1 0 304.350 1.007 20 5 DDBDRO C[NH+](C)C1CC(NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 ZINC000598717132 357702351 /nfs/dbraw/zinc/70/23/51/357702351.db2.gz XWCFKXMJWOUKCM-UHFFFAOYSA-N 1 0 321.333 1.188 20 5 DDBDRO [NH3+]C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000598916419 357757925 /nfs/dbraw/zinc/75/79/25/357757925.db2.gz YNQIXERCNVYLQB-SECBINFHSA-N 1 0 314.729 1.440 20 5 DDBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1C[C@H](C(N)=O)C1 ZINC000599071262 357807821 /nfs/dbraw/zinc/80/78/21/357807821.db2.gz RADHKWKUURERCG-NHCYSSNCSA-N 1 0 320.349 1.165 20 5 DDBDRO CC[C@@H]1[NH2+]CC[C@H]1NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000599101696 357815683 /nfs/dbraw/zinc/81/56/83/357815683.db2.gz ODWKTSQIIXIFNX-QWHCGFSZSA-N 1 0 313.379 1.155 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000599102391 357815925 /nfs/dbraw/zinc/81/59/25/357815925.db2.gz FBQUFBQXGMKNDA-WDEREUQCSA-N 1 0 313.379 1.322 20 5 DDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CC[NH2+]C23CCC3)s1 ZINC000599106861 357817391 /nfs/dbraw/zinc/81/73/91/357817391.db2.gz JTSZMJCXCGCSMA-QMMMGPOBSA-N 1 0 317.392 1.219 20 5 DDBDRO O=[N+]([O-])c1c(NCC[N@H+]2CC[C@@H](O)C2)ccc2ncccc21 ZINC000599176747 357840565 /nfs/dbraw/zinc/84/05/65/357840565.db2.gz WGSDGHSEHAUOEJ-LLVKDONJSA-N 1 0 302.334 1.622 20 5 DDBDRO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000599625809 357997322 /nfs/dbraw/zinc/99/73/22/357997322.db2.gz PRNZPXQAMGHDAE-QOBXEIRBSA-N 1 0 307.350 1.595 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCC1([NH3+])CCOCC1 ZINC000599605164 357990584 /nfs/dbraw/zinc/99/05/84/357990584.db2.gz UTOGXDFYQYYJNC-UHFFFAOYSA-N 1 0 322.365 1.841 20 5 DDBDRO C[C@H]1CC(F)(F)CC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000599623356 357996568 /nfs/dbraw/zinc/99/65/68/357996568.db2.gz OXUUFODZMDMABX-GXSJLCMTSA-N 1 0 304.297 1.272 20 5 DDBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N[C@H]1CC[NH2+]C12CCC2 ZINC000599919597 358080907 /nfs/dbraw/zinc/08/09/07/358080907.db2.gz FDQGDGQBNSPAFV-AWEZNQCLSA-N 1 0 318.377 1.721 20 5 DDBDRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)C(C)(C)c3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000599992591 358098701 /nfs/dbraw/zinc/09/87/01/358098701.db2.gz XUUWACFTKXSQQR-JYAVWHMHSA-N 1 0 317.389 1.891 20 5 DDBDRO Cc1cc(NC(=O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)n(C)n1 ZINC000180452963 199161476 /nfs/dbraw/zinc/16/14/76/199161476.db2.gz BBMKLPHOBRWVTK-LLVKDONJSA-N 1 0 317.349 1.926 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000600470051 358233158 /nfs/dbraw/zinc/23/31/58/358233158.db2.gz DYRXFMAJAUKHBL-LLVKDONJSA-N 1 0 307.354 1.075 20 5 DDBDRO COc1ccc(C(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000237352638 202242247 /nfs/dbraw/zinc/24/22/47/202242247.db2.gz PSPULNFQYXKWHH-CMPLNLGQSA-N 1 0 307.350 1.803 20 5 DDBDRO C[C@@H](C[NH3+])CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000237398344 202254179 /nfs/dbraw/zinc/25/41/79/202254179.db2.gz QVGIAKUVPKDAMJ-JTQLQIEISA-N 1 0 303.322 1.105 20 5 DDBDRO C[C@@H](C[NH3+])CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000237400955 202254741 /nfs/dbraw/zinc/25/47/41/202254741.db2.gz ZECOQYWXIJTQOH-JTQLQIEISA-N 1 0 303.322 1.105 20 5 DDBDRO CCN(CC[NH3+])[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000600716790 358293205 /nfs/dbraw/zinc/29/32/05/358293205.db2.gz MJOHTQUZJFBAQM-JTQLQIEISA-N 1 0 310.354 1.211 20 5 DDBDRO CC1(C)CCC[C@H]1CC[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000600747480 358305741 /nfs/dbraw/zinc/30/57/41/358305741.db2.gz XPLMXDSGTJENLD-JSGCOSHPSA-N 1 0 310.398 1.958 20 5 DDBDRO CN(C)C(=O)CCCNc1ccnc2ccc([N+](=O)[O-])cc21 ZINC000601105794 358404741 /nfs/dbraw/zinc/40/47/41/358404741.db2.gz ISRFAHGCTRLWSF-UHFFFAOYSA-N 1 0 302.334 1.845 20 5 DDBDRO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000601170601 358431531 /nfs/dbraw/zinc/43/15/31/358431531.db2.gz CANWNGPQOWTANF-JIGDXULJSA-N 1 0 319.287 1.343 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]3C[NH2+]CC[C@H]32)n1 ZINC000601552193 358597983 /nfs/dbraw/zinc/59/79/83/358597983.db2.gz JINZCARSUNTFAG-GHMZBOCLSA-N 1 0 307.354 1.025 20 5 DDBDRO CNc1ccc(C(=O)N[C@]23CCC[C@@H]2C[NH2+]C3)cc1[N+](=O)[O-] ZINC000601974138 358761035 /nfs/dbraw/zinc/76/10/35/358761035.db2.gz MQIWFQBKPDOLMN-ABAIWWIYSA-N 1 0 304.350 1.508 20 5 DDBDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000348157551 283394448 /nfs/dbraw/zinc/39/44/48/283394448.db2.gz GJMRLMFEPXXYCR-GHMZBOCLSA-N 1 0 318.333 1.740 20 5 DDBDRO COc1cc(CN2C[C@H]3CC[C@@H](C2)[NH2+]3)c([N+](=O)[O-])cc1OC ZINC000602019488 358779243 /nfs/dbraw/zinc/77/92/43/358779243.db2.gz FEUXYUHYKYLTEJ-TXEJJXNPSA-N 1 0 307.350 1.548 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)C1(C[NH+](C)C)CC1 ZINC000602071683 358801729 /nfs/dbraw/zinc/80/17/29/358801729.db2.gz DCFCNDGTQWWBJJ-UHFFFAOYSA-N 1 0 307.350 1.561 20 5 DDBDRO C[NH+](C)[C@@H]1C[C@H](NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1(C)C ZINC000602169711 358861146 /nfs/dbraw/zinc/86/11/46/358861146.db2.gz GYQVHBALIIDALL-NWDGAFQWSA-N 1 0 323.397 1.371 20 5 DDBDRO C[NH+](C)[C@@H]1C[C@H](NC(=O)COc2ccccc2[N+](=O)[O-])C1(C)C ZINC000602172150 358862473 /nfs/dbraw/zinc/86/24/73/358862473.db2.gz NRNKPLAFDNEFKC-UONOGXRCSA-N 1 0 321.377 1.819 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@@H]([NH+](C)C)C1(C)C ZINC000602175216 358864490 /nfs/dbraw/zinc/86/44/90/358864490.db2.gz XGKIGDYNDHYGCG-CHWSQXEVSA-N 1 0 306.366 1.757 20 5 DDBDRO C[NH+](C)[C@@H]1C[C@H](NC(=O)Cc2ccccc2[N+](=O)[O-])C1(C)C ZINC000602175436 358865201 /nfs/dbraw/zinc/86/52/01/358865201.db2.gz XVRLUYIJBBHWTL-UONOGXRCSA-N 1 0 305.378 1.982 20 5 DDBDRO O=C(NC[C@@H]1CCC[NH2+]1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000602429107 358970741 /nfs/dbraw/zinc/97/07/41/358970741.db2.gz RWAUUFSHGSMBCQ-ZDUSSCGKSA-N 1 0 303.362 1.885 20 5 DDBDRO C[C@H]1CN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CC[NH2+]1 ZINC000602434384 358973540 /nfs/dbraw/zinc/97/35/40/358973540.db2.gz QFIQYAXUMJAPRC-LBPRGKRZSA-N 1 0 303.362 1.837 20 5 DDBDRO CC(C)[C@@H]1C[NH2+]CCN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000602531654 359030008 /nfs/dbraw/zinc/03/00/08/359030008.db2.gz WHGKFPOSBRTIAB-HNNXBMFYSA-N 1 0 305.378 1.984 20 5 DDBDRO CCN(CC[NH3+])C(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000602535737 359032824 /nfs/dbraw/zinc/03/28/24/359032824.db2.gz RATXHMDIGUNFHZ-VIFPVBQESA-N 1 0 315.757 1.823 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCCc2cccc(C[NH3+])c21 ZINC000602540391 359034303 /nfs/dbraw/zinc/03/43/03/359034303.db2.gz NQZXMZPRPHUNRT-UHFFFAOYSA-N 1 0 314.345 1.985 20 5 DDBDRO C[C@@H](O)C[C@@H](C)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602557734 359043967 /nfs/dbraw/zinc/04/39/67/359043967.db2.gz HBQYUMKXAUHSLB-CHWSQXEVSA-N 1 0 322.409 1.955 20 5 DDBDRO CC[C@H](C)[C@@H](O)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602564866 359047353 /nfs/dbraw/zinc/04/73/53/359047353.db2.gz POLTUAJGZBBRBD-WFASDCNBSA-N 1 0 322.409 1.955 20 5 DDBDRO Cc1ccc([C@@H](C)NC(=O)[C@]2(C)C[NH2+]CCO2)cc1[N+](=O)[O-] ZINC000602469014 358999081 /nfs/dbraw/zinc/99/90/81/358999081.db2.gz YRHAUEWDNIKJAO-ABAIWWIYSA-N 1 0 307.350 1.459 20 5 DDBDRO CC(C)(CO)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602580518 359054837 /nfs/dbraw/zinc/05/48/37/359054837.db2.gz BDYPEYKMIRHLID-UHFFFAOYSA-N 1 0 308.382 1.567 20 5 DDBDRO C[C@]12C[NH+](Cc3ccc([N+](=O)[O-])cc3F)C[C@]1(C)C(=O)NC2=O ZINC000602723870 359150553 /nfs/dbraw/zinc/15/05/53/359150553.db2.gz HQZFBZJCIZSPEC-HUUCEWRRSA-N 1 0 321.308 1.219 20 5 DDBDRO C[NH+](C)C[C@]1(O)CCCN(Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000602878117 359261231 /nfs/dbraw/zinc/26/12/31/359261231.db2.gz VULBVKMTTMWADV-OAHLLOKOSA-N 1 0 311.357 1.622 20 5 DDBDRO Cc1cncc([N+](=O)[O-])c1NC(=O)N(C)CC[NH+]1CCCC1 ZINC000602957758 359321633 /nfs/dbraw/zinc/32/16/33/359321633.db2.gz PRMFOSGGYJPGAD-UHFFFAOYSA-N 1 0 307.354 1.280 20 5 DDBDRO C[C@@](CO)([NH2+]CCOCC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000602961758 359325096 /nfs/dbraw/zinc/32/50/96/359325096.db2.gz CHNIPWIYOCWLSR-ZDUSSCGKSA-N 1 0 304.293 1.674 20 5 DDBDRO CO[C@@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)[C@](C)(CO)C1 ZINC000602965034 359329294 /nfs/dbraw/zinc/32/92/94/359329294.db2.gz YDDXYAJCFPXIQG-GJZGRUSLSA-N 1 0 310.350 1.445 20 5 DDBDRO C[C@H](c1ccccc1[N+](=O)[O-])N(C)CC(=O)N1CCN(C)CC1 ZINC000602989707 359342345 /nfs/dbraw/zinc/34/23/45/359342345.db2.gz ZZPDNXDYWNKYMS-CYBMUJFWSA-N 1 0 320.393 1.362 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)CC1(CO)CC1 ZINC000186775418 200008189 /nfs/dbraw/zinc/00/81/89/200008189.db2.gz OTSOAQMIAQCCHZ-UHFFFAOYSA-N 1 0 321.377 1.936 20 5 DDBDRO Cc1c(NC(=O)CC[N@@H+]2CC[C@@H](O)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000186922108 200031448 /nfs/dbraw/zinc/03/14/48/200031448.db2.gz ROXWVCJZHQSACB-IAQYHMDHSA-N 1 0 321.377 1.935 20 5 DDBDRO COc1ccc(CN2CC[N@H+](CCO)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000187651899 200140078 /nfs/dbraw/zinc/14/00/78/200140078.db2.gz GXYGCWKPMUPKFI-GFCCVEGCSA-N 1 0 309.366 1.102 20 5 DDBDRO CC(C)[NH+]1CCN(CCCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000188203448 200209286 /nfs/dbraw/zinc/20/92/86/200209286.db2.gz JYXYKBHYMPNFSH-UHFFFAOYSA-N 1 0 308.382 1.173 20 5 DDBDRO CC[C@@H](C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)[NH+](C)C ZINC000188502292 200257382 /nfs/dbraw/zinc/25/73/82/200257382.db2.gz UFBHKMOMDQQITG-AWEZNQCLSA-N 1 0 307.350 1.525 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)NCC[C@H]1CCC[NH2+]C1 ZINC000237994590 202414513 /nfs/dbraw/zinc/41/45/13/202414513.db2.gz VOPZZIXNEGADQK-GFCCVEGCSA-N 1 0 307.350 1.480 20 5 DDBDRO [NH3+][C@@H]1CC[C@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000237956452 202403831 /nfs/dbraw/zinc/40/38/31/202403831.db2.gz FRHMGXRAPXFJQF-QWHCGFSZSA-N 1 0 318.377 1.371 20 5 DDBDRO CC[N@H+](C)C[C@@H](O)CN1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000565782964 304092014 /nfs/dbraw/zinc/09/20/14/304092014.db2.gz JXBOLCRDAPMTQS-CQSZACIVSA-N 1 0 309.366 1.102 20 5 DDBDRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1Cc1cccc([N+](=O)[O-])c1 ZINC000189412198 200396486 /nfs/dbraw/zinc/39/64/86/200396486.db2.gz OQYCCHPAVWFUGG-CYBMUJFWSA-N 1 0 307.394 1.872 20 5 DDBDRO CC[NH+](CC)C[C@@H](C)NC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000609044629 360258441 /nfs/dbraw/zinc/25/84/41/360258441.db2.gz RQDOHLQQLYHDPQ-GFCCVEGCSA-N 1 0 323.393 1.992 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000609309489 360291657 /nfs/dbraw/zinc/29/16/57/360291657.db2.gz GUSFSWNVQSKPKP-LLVKDONJSA-N 1 0 306.366 1.680 20 5 DDBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1cc([N+](=O)[O-])cn1C ZINC000609594380 360331342 /nfs/dbraw/zinc/33/13/42/360331342.db2.gz IWPJLKXTMGJXSH-LBPRGKRZSA-N 1 0 308.382 1.928 20 5 DDBDRO O=[N+]([O-])c1ccccc1CC[NH2+]C[C@@H]1CNc2ccnn2C1 ZINC000610271387 360404959 /nfs/dbraw/zinc/40/49/59/360404959.db2.gz RDFDHHNIJINMCB-GFCCVEGCSA-N 1 0 301.350 1.665 20 5 DDBDRO C[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C[C@@H](O)C1CC1 ZINC000610572868 360473849 /nfs/dbraw/zinc/47/38/49/360473849.db2.gz PCWYNLYEAVHLFY-UKRRQHHQSA-N 1 0 310.350 1.037 20 5 DDBDRO C[C@@H]1CN(c2cccnc2[N+](=O)[O-])CC[C@H]1[NH+]1CCN(C)CC1 ZINC000611204552 360659034 /nfs/dbraw/zinc/65/90/34/360659034.db2.gz RWTHUGYEDYWDCC-ZIAGYGMSSA-N 1 0 319.409 1.452 20 5 DDBDRO CCOC(=O)C[C@@H](O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000611237516 360674480 /nfs/dbraw/zinc/67/44/80/360674480.db2.gz NACYIRJNBLEFRN-OAHLLOKOSA-N 1 0 322.361 1.873 20 5 DDBDRO C[C@H](NC(=O)Nc1ccncc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000611598289 360774320 /nfs/dbraw/zinc/77/43/20/360774320.db2.gz NSVJZWCCITWNLY-JTQLQIEISA-N 1 0 307.354 1.264 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2ccc(Br)o2)c1 ZINC000191365027 200680499 /nfs/dbraw/zinc/68/04/99/200680499.db2.gz NSPOZGFAZKZSSP-UHFFFAOYSA-N 1 0 315.127 1.937 20 5 DDBDRO CN(CC(=O)NCC1([NH+](C)C)CCC1)c1ccccc1[N+](=O)[O-] ZINC000275812156 212550173 /nfs/dbraw/zinc/55/01/73/212550173.db2.gz DLISEOGFDOUKTC-UHFFFAOYSA-N 1 0 320.393 1.632 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@]2(CO)CCOc3ccccc32)n1 ZINC000281449391 216306717 /nfs/dbraw/zinc/30/67/17/216306717.db2.gz AFIRXFVGHYYBLP-HNNXBMFYSA-N 1 0 318.333 1.051 20 5 DDBDRO O=C(NC1CC[NH+](CC2CC2)CC1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000193437206 201052005 /nfs/dbraw/zinc/05/20/05/201052005.db2.gz ZYNNKLGSCDEMEY-UHFFFAOYSA-N 1 0 320.349 1.300 20 5 DDBDRO C[C@@H](c1ccccc1)[C@@H](CO)[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000613390050 361401855 /nfs/dbraw/zinc/40/18/55/361401855.db2.gz VOHUMETYJRRBLN-GXTWGEPZSA-N 1 0 304.350 1.546 20 5 DDBDRO Cc1ccc(C(=O)N2CCC[C@@](O)(C[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000618923091 363802203 /nfs/dbraw/zinc/80/22/03/363802203.db2.gz CZORMVJJYLHRCR-MRXNPFEDSA-N 1 0 321.377 1.432 20 5 DDBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@]1(O)CCOC1 ZINC000090849827 192938681 /nfs/dbraw/zinc/93/86/81/192938681.db2.gz FTGDFPJYKWDXJL-ABAIWWIYSA-N 1 0 323.349 1.053 20 5 DDBDRO O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000566249349 304133499 /nfs/dbraw/zinc/13/34/99/304133499.db2.gz UFNXZFZOBBTGBE-OAHLLOKOSA-N 1 0 319.317 1.149 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)NCC1=CC[NH2+]CC1 ZINC000275123405 212135344 /nfs/dbraw/zinc/13/53/44/212135344.db2.gz KBVVRQFOCMMJFD-UHFFFAOYSA-N 1 0 309.297 1.149 20 5 DDBDRO COc1cc(C(=O)N2CC[NH2+]C[C@H]2C)cc([N+](=O)[O-])c1OC ZINC000261924598 203153920 /nfs/dbraw/zinc/15/39/20/203153920.db2.gz ARCMJQOMOUJHML-SECBINFHSA-N 1 0 309.322 1.046 20 5 DDBDRO COc1ccc(C(=O)N[C@@H]2[C@@H](C)CC[NH2+][C@H]2C)cc1[N+](=O)[O-] ZINC000262566859 203333172 /nfs/dbraw/zinc/33/31/72/203333172.db2.gz WVTJRCHRBBCENU-PKFCDNJMSA-N 1 0 307.350 1.720 20 5 DDBDRO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000262594953 203345109 /nfs/dbraw/zinc/34/51/09/203345109.db2.gz UHMNWCISSBLVTR-NWDGAFQWSA-N 1 0 307.350 1.607 20 5 DDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262728067 203394050 /nfs/dbraw/zinc/39/40/50/203394050.db2.gz HQXVCSZVVPXEPE-ZDUSSCGKSA-N 1 0 315.333 1.968 20 5 DDBDRO CN(CC(C)(C)C[NH3+])S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000093873807 193322076 /nfs/dbraw/zinc/32/20/76/193322076.db2.gz DXLKRJAQZISZSU-UHFFFAOYSA-N 1 0 315.395 1.341 20 5 DDBDRO COC[C@](C)(CC(=O)OC)[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000350324722 284182943 /nfs/dbraw/zinc/18/29/43/284182943.db2.gz XLAJFDQAJLDXTF-HNNXBMFYSA-N 1 0 310.350 1.961 20 5 DDBDRO C[N@@H+]1CC[C@H](CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000264653337 204055156 /nfs/dbraw/zinc/05/51/56/204055156.db2.gz HEXIWQKRJFSOPJ-SNVBAGLBSA-N 1 0 302.334 1.758 20 5 DDBDRO CCc1n[nH]c(C(=O)NCC[N@@H+]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000264662028 204060107 /nfs/dbraw/zinc/06/01/07/204060107.db2.gz IUSDWRGZJSJFBV-JTQLQIEISA-N 1 0 309.370 1.485 20 5 DDBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCC[NH+]1CCSCC1 ZINC000264803118 204168864 /nfs/dbraw/zinc/16/88/64/204168864.db2.gz NIIYRKYFRRFZEZ-ZZXKWVIFSA-N 1 0 321.402 1.773 20 5 DDBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000264914893 204265421 /nfs/dbraw/zinc/26/54/21/204265421.db2.gz OCXKYETXTHMVET-GFCCVEGCSA-N 1 0 307.350 1.574 20 5 DDBDRO C[NH+]1CCC(C)(CNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1 ZINC000282732572 217209489 /nfs/dbraw/zinc/20/94/89/217209489.db2.gz CPEOXCDPMCKATC-UHFFFAOYSA-N 1 0 324.356 1.778 20 5 DDBDRO Cc1ccccc1C[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266436981 205344571 /nfs/dbraw/zinc/34/45/71/205344571.db2.gz LVXSNFQHHQQYSF-HNNXBMFYSA-N 1 0 304.350 1.593 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](CO)C[NH+]1CCCCC1 ZINC000288539891 220217016 /nfs/dbraw/zinc/21/70/16/220217016.db2.gz OVCOEYNYIVANRH-CYBMUJFWSA-N 1 0 321.377 1.480 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC2CC[NH2+]CC2)c1C ZINC000019991036 182174601 /nfs/dbraw/zinc/17/46/01/182174601.db2.gz ZBTPQVVXJSSHKG-UHFFFAOYSA-N 1 0 313.379 1.242 20 5 DDBDRO Cc1c(Cl)cc(S(=O)(=O)NCCC[NH3+])cc1[N+](=O)[O-] ZINC000021011821 182259869 /nfs/dbraw/zinc/25/98/69/182259869.db2.gz LTZMQUVFVIJCRO-UHFFFAOYSA-N 1 0 307.759 1.184 20 5 DDBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000174172826 248359656 /nfs/dbraw/zinc/35/96/56/248359656.db2.gz OJUAEPSVKATMMG-CQSZACIVSA-N 1 0 321.377 1.916 20 5 DDBDRO CS[C@@H]1CN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C[C@@H]1[NH+](C)C ZINC000270519542 248620789 /nfs/dbraw/zinc/62/07/89/248620789.db2.gz SPLVRQLCNQGSHG-QWHCGFSZSA-N 1 0 324.406 1.295 20 5 DDBDRO CC(C)(CCC[NH3+])NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000336836212 249243719 /nfs/dbraw/zinc/24/37/19/249243719.db2.gz WKNBGTQAOHMGBD-UHFFFAOYSA-N 1 0 301.368 1.391 20 5 DDBDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1cn[nH]c1 ZINC000274163046 211392333 /nfs/dbraw/zinc/39/23/33/211392333.db2.gz ZOZHVEYJTHXWGB-ZJUUUORDSA-N 1 0 303.322 1.996 20 5 DDBDRO CC(C)[C@H](C(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1)[NH+](C)C ZINC000359621751 299501531 /nfs/dbraw/zinc/50/15/31/299501531.db2.gz ZLISWEAJYLRRDI-OAHLLOKOSA-N 1 0 321.377 1.902 20 5 DDBDRO C[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@H]1C(N)=O ZINC000284471395 218040902 /nfs/dbraw/zinc/04/09/02/218040902.db2.gz AGPPAKKUFUSUCH-NOZJJQNGSA-N 1 0 321.333 1.015 20 5 DDBDRO C[C@H]1C[NH+](CCCCNc2ncc([N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000273934805 211188048 /nfs/dbraw/zinc/18/80/48/211188048.db2.gz KZEMGUSHBRJFLQ-RYUDHWBXSA-N 1 0 309.370 1.686 20 5 DDBDRO CC(C)N1C[C@@H]([NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1=O ZINC000285057015 218273111 /nfs/dbraw/zinc/27/31/11/218273111.db2.gz IRPGCLITZKDWPO-JQWIXIFHSA-N 1 0 306.366 1.837 20 5 DDBDRO COc1ccc(CC(=O)N(C)CC[C@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000567469506 304221781 /nfs/dbraw/zinc/22/17/81/304221781.db2.gz HHHGVKIHZRJCNL-ZDUSSCGKSA-N 1 0 323.393 1.978 20 5 DDBDRO C[C@H]([NH2+]C[C@@H](CO)[C@@H]1CCOC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285458184 218449056 /nfs/dbraw/zinc/44/90/56/218449056.db2.gz ZUTSFWIJZRAODW-UHTWSYAYSA-N 1 0 309.366 1.473 20 5 DDBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CN(C)CCN2C)cc1[N+](=O)[O-] ZINC000268847715 207016657 /nfs/dbraw/zinc/01/66/57/207016657.db2.gz BQBWEFGGCYOTGC-UKRRQHHQSA-N 1 0 306.410 1.800 20 5 DDBDRO CNc1ccc(C(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000567580356 304226989 /nfs/dbraw/zinc/22/69/89/304226989.db2.gz ZGTZWNJAIRVWMR-JQWIXIFHSA-N 1 0 306.366 1.693 20 5 DDBDRO CC(C)[C@H](CO)C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000579592474 422799800 /nfs/dbraw/zinc/79/98/00/422799800.db2.gz VFZSCJXBGLHRPZ-GXTWGEPZSA-N 1 0 312.366 1.189 20 5 DDBDRO COc1cc(C(=O)NC2(C[NH3+])CCCC2)cc([N+](=O)[O-])c1OC ZINC000269144470 207273869 /nfs/dbraw/zinc/27/38/69/207273869.db2.gz BKMYKAVSWSTIRR-UHFFFAOYSA-N 1 0 323.349 1.613 20 5 DDBDRO C[C@H](NC(=O)CNc1ccccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000269175481 207296537 /nfs/dbraw/zinc/29/65/37/207296537.db2.gz GVNVKTRCLLPAPA-NWDGAFQWSA-N 1 0 306.366 1.511 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)NCC(C)(C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000269392540 207506334 /nfs/dbraw/zinc/50/63/34/207506334.db2.gz RPTBMFKHNUEHTD-UHFFFAOYSA-N 1 0 311.386 1.759 20 5 DDBDRO C[NH2+][C@@H]1CCN(S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)C1 ZINC000420405715 532971943 /nfs/dbraw/zinc/97/19/43/532971943.db2.gz PJKYHEWPGJTDSI-LLVKDONJSA-N 1 0 313.379 1.194 20 5 DDBDRO CNC(=O)[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000352426391 285042203 /nfs/dbraw/zinc/04/22/03/285042203.db2.gz UCGREUOOKJKWSW-GFCCVEGCSA-N 1 0 307.350 1.561 20 5 DDBDRO Cc1c(NC(=O)[C@@H](C)[N@H+](CCO)CC2CC2)cccc1[N+](=O)[O-] ZINC000352468813 285073219 /nfs/dbraw/zinc/07/32/19/285073219.db2.gz VBJDIYPMSQTOLY-GFCCVEGCSA-N 1 0 321.377 1.935 20 5 DDBDRO CNc1nc(-c2nc(C3([NH3+])CCCC3)no2)ccc1[N+](=O)[O-] ZINC000414628451 533073183 /nfs/dbraw/zinc/07/31/83/533073183.db2.gz ONSGYUUCQCTKEL-UHFFFAOYSA-N 1 0 304.310 1.810 20 5 DDBDRO C[C@]1(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)CCC[NH2+]C1 ZINC000272965947 210350205 /nfs/dbraw/zinc/35/02/05/210350205.db2.gz GQZFFCLOWFORLE-AWEZNQCLSA-N 1 0 310.329 1.436 20 5 DDBDRO CC(C)C(=O)NCCN(C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000157543265 197195134 /nfs/dbraw/zinc/19/51/34/197195134.db2.gz FKRXKOVOBHRITM-UHFFFAOYSA-N 1 0 320.349 1.940 20 5 DDBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000271439526 208913233 /nfs/dbraw/zinc/91/32/33/208913233.db2.gz TVFXGQSSCABBTO-LLVKDONJSA-N 1 0 309.370 1.036 20 5 DDBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](c2nc(=O)[nH][nH]2)C1 ZINC000289482048 221006610 /nfs/dbraw/zinc/00/66/10/221006610.db2.gz RVDLJZZBSPQZCO-CMPLNLGQSA-N 1 0 317.349 1.947 20 5 DDBDRO Cc1ccc(O)c(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])n1 ZINC000289791875 221228575 /nfs/dbraw/zinc/22/85/75/221228575.db2.gz MAJMUWPENCNNRE-UHFFFAOYSA-N 1 0 302.334 1.969 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCOC[C@H]1[C@H](C)[NH3+] ZINC000422720926 533222432 /nfs/dbraw/zinc/22/24/32/533222432.db2.gz UFTMFVYNVCUXSD-LEWSCRJBSA-N 1 0 309.366 1.445 20 5 DDBDRO COC[C@@]1(CNC(=O)c2cccc(OC)c2[N+](=O)[O-])CCC[NH2+]1 ZINC000423641194 285324047 /nfs/dbraw/zinc/32/40/47/285324047.db2.gz WICFHFJRMMPSBE-HNNXBMFYSA-N 1 0 323.349 1.102 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[NH2+]C1(C)C ZINC000414658339 533227601 /nfs/dbraw/zinc/22/76/01/533227601.db2.gz QMXSLCKBFJIAJQ-LBPRGKRZSA-N 1 0 308.338 1.865 20 5 DDBDRO COC[C@@]1(C(=O)OC)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000294997048 224367086 /nfs/dbraw/zinc/36/70/86/224367086.db2.gz ICPANZFRHYLRRN-MRXNPFEDSA-N 1 0 322.361 1.915 20 5 DDBDRO COc1ccc(CN[C@H]2C[NH2+]CCC2(F)F)cc1[N+](=O)[O-] ZINC000414997541 224433765 /nfs/dbraw/zinc/43/37/65/224433765.db2.gz HUXJUJNIXWOHEA-LBPRGKRZSA-N 1 0 301.293 1.690 20 5 DDBDRO Cc1c(C(=O)N[C@H](CO)C[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000352852093 285336032 /nfs/dbraw/zinc/33/60/32/285336032.db2.gz DSAZPUNNPYWFIA-ZDUSSCGKSA-N 1 0 321.377 1.480 20 5 DDBDRO COc1cc(C(=O)NCC[C@H]2CCC[NH2+]2)cc([N+](=O)[O-])c1OC ZINC000444267978 533534804 /nfs/dbraw/zinc/53/48/04/533534804.db2.gz NLNLWHJDXCESGG-LLVKDONJSA-N 1 0 323.349 1.484 20 5 DDBDRO Cc1n[nH]c(C(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000299527508 533668098 /nfs/dbraw/zinc/66/80/98/533668098.db2.gz KRGJKORWWCXHFK-BMIGLBTASA-N 1 0 323.397 1.867 20 5 DDBDRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000568966435 304324918 /nfs/dbraw/zinc/32/49/18/304324918.db2.gz ODXMDHVWQTWLDR-SMDDNHRTSA-N 1 0 318.377 1.661 20 5 DDBDRO Cn1cc(CC[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cn1 ZINC000353593256 285819347 /nfs/dbraw/zinc/81/93/47/285819347.db2.gz CNYBAKPIZZQJBC-KBPBESRZSA-N 1 0 318.381 1.841 20 5 DDBDRO CO[C@@](C)([C@H](C)[NH2+]CCn1cc([N+](=O)[O-])ccc1=O)C1CC1 ZINC000411965476 285907565 /nfs/dbraw/zinc/90/75/65/285907565.db2.gz FNAZLTCPSWUVFV-NHYWBVRUSA-N 1 0 309.366 1.550 20 5 DDBDRO CO[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)[C@@H](C[NH3+])C1 ZINC000262366953 286055470 /nfs/dbraw/zinc/05/54/70/286055470.db2.gz XBAZHSDFASEXEN-MNOVXSKESA-N 1 0 311.313 1.312 20 5 DDBDRO COC(=O)COc1ccc(C[NH2+][C@@H]2CO[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000569845072 304382146 /nfs/dbraw/zinc/38/21/46/304382146.db2.gz MTNKSPBELRJTSX-JQWIXIFHSA-N 1 0 324.333 1.414 20 5 DDBDRO CCn1c(C)nc([N+](=O)[O-])c1NCCN1CC[NH+](CC)CC1 ZINC000360881002 299766125 /nfs/dbraw/zinc/76/61/25/299766125.db2.gz IPSJLBKZZBTAIW-UHFFFAOYSA-N 1 0 310.402 1.169 20 5 DDBDRO Cn1c(C(=O)Nc2cc(C[NH+](C)C)ccn2)ccc1[N+](=O)[O-] ZINC000361079251 306991651 /nfs/dbraw/zinc/99/16/51/306991651.db2.gz HBIQESYYYFRFPP-UHFFFAOYSA-N 1 0 303.322 1.642 20 5 DDBDRO C[C@@H]([NH3+])c1ccc(C(=O)NCCn2cc([N+](=O)[O-])cn2)cc1 ZINC000570563613 304415098 /nfs/dbraw/zinc/41/50/98/304415098.db2.gz KRGLYANKLSVYBQ-SNVBAGLBSA-N 1 0 303.322 1.241 20 5 DDBDRO CCCC[NH+]1CCC(NC(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000068442359 406642518 /nfs/dbraw/zinc/64/25/18/406642518.db2.gz ITOSMBKKRPJBQD-UHFFFAOYSA-N 1 0 309.370 1.172 20 5 DDBDRO CCCc1n[nH]c(C(=O)NC2CC[NH+](CC)CC2)c1[N+](=O)[O-] ZINC000069443366 406713391 /nfs/dbraw/zinc/71/33/91/406713391.db2.gz UKXNVSIIVHAEQJ-UHFFFAOYSA-N 1 0 309.370 1.485 20 5 DDBDRO CCOc1ccc(C(=O)NC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000078473402 407029838 /nfs/dbraw/zinc/02/98/38/407029838.db2.gz HEMHDOSXMRDOCD-UHFFFAOYSA-N 1 0 307.350 1.818 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCCCC[NH3+])cc1C ZINC000037714597 406993359 /nfs/dbraw/zinc/99/33/59/406993359.db2.gz ZSKCAXMGSONDDI-UHFFFAOYSA-N 1 0 301.368 1.229 20 5 DDBDRO C[NH+](C)[C@H](CNC(=O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000047921132 407083374 /nfs/dbraw/zinc/08/33/74/407083374.db2.gz HUOHJKKTKOKISC-CYBMUJFWSA-N 1 0 307.350 1.430 20 5 DDBDRO Nc1c(C(=O)NCC[NH+]2CCCCCC2)cc(F)cc1[N+](=O)[O-] ZINC000102894254 407328719 /nfs/dbraw/zinc/32/87/19/407328719.db2.gz YRMJEZTZSZICIK-UHFFFAOYSA-N 1 0 324.356 1.922 20 5 DDBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000067457687 407273682 /nfs/dbraw/zinc/27/36/82/407273682.db2.gz BJSULLKPUKKODK-CYBMUJFWSA-N 1 0 320.393 1.362 20 5 DDBDRO C[C@@H]1C[C@H](N(C)CC(=O)Nc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000123564535 407332888 /nfs/dbraw/zinc/33/28/88/407332888.db2.gz GJSITHFXAWWXOF-CHWSQXEVSA-N 1 0 320.393 1.948 20 5 DDBDRO O=C(N[C@@H]1CC[N@H+](CC2CCCC2)C1)c1[nH]ncc1[N+](=O)[O-] ZINC000122563596 407304733 /nfs/dbraw/zinc/30/47/33/407304733.db2.gz UWRYLVYRPKVYLO-LLVKDONJSA-N 1 0 307.354 1.312 20 5 DDBDRO C[C@H]1C[C@@H](N(C)CC(=O)Nc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000123565218 407333132 /nfs/dbraw/zinc/33/31/32/407333132.db2.gz GJSITHFXAWWXOF-STQMWFEESA-N 1 0 320.393 1.948 20 5 DDBDRO C[N@@H+]1CCC[C@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000108325958 407383668 /nfs/dbraw/zinc/38/36/68/407383668.db2.gz FVPLEYCRZYPLLT-SECBINFHSA-N 1 0 310.329 1.388 20 5 DDBDRO C[N@@H+]1CCC[C@@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000108325961 407384038 /nfs/dbraw/zinc/38/40/38/407384038.db2.gz FVPLEYCRZYPLLT-VIFPVBQESA-N 1 0 310.329 1.388 20 5 DDBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NCC[NH+](C)C ZINC000125443440 407388658 /nfs/dbraw/zinc/38/86/58/407388658.db2.gz OWOAWWWBUHLWCU-UHFFFAOYSA-N 1 0 321.786 1.397 20 5 DDBDRO COCC[N@H+](C)CCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000265816670 407467401 /nfs/dbraw/zinc/46/74/01/407467401.db2.gz QIFYWFMNZHTLNK-UHFFFAOYSA-N 1 0 323.393 1.567 20 5 DDBDRO Cn1cc(C[N@@H+]2CC[C@@H](O)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000271055373 407491538 /nfs/dbraw/zinc/49/15/38/407491538.db2.gz ZLWTWEGREADZOL-CQSZACIVSA-N 1 0 302.334 1.562 20 5 DDBDRO NC(=O)C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000181941494 306701230 /nfs/dbraw/zinc/70/12/30/306701230.db2.gz IQXAPUXOESIGLX-ZDUSSCGKSA-N 1 0 307.350 1.355 20 5 DDBDRO C[NH2+][C@H]1CCCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000261694507 407580930 /nfs/dbraw/zinc/58/09/30/407580930.db2.gz FNHPOTVMFUTKNX-LBPRGKRZSA-N 1 0 306.366 1.241 20 5 DDBDRO COc1ccc(OCCN(C)[C@H]2CCN(C)C2=O)c([N+](=O)[O-])c1 ZINC000266541160 407550492 /nfs/dbraw/zinc/55/04/92/407550492.db2.gz PTWNSMBUSNPSPT-LBPRGKRZSA-N 1 0 323.349 1.145 20 5 DDBDRO CC[N@H+](CCNC(=O)NCCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000171167462 407615074 /nfs/dbraw/zinc/61/50/74/407615074.db2.gz YKJHJCGBTCGFEH-UHFFFAOYSA-N 1 0 320.393 1.921 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000227064908 407626181 /nfs/dbraw/zinc/62/61/81/407626181.db2.gz CGLYLLHHZUHSHV-CMPLNLGQSA-N 1 0 313.379 1.261 20 5 DDBDRO CCc1n[nH]c(C(=O)NCCC[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000171397953 407678907 /nfs/dbraw/zinc/67/89/07/407678907.db2.gz IMGGIYYMEQNJIV-UHFFFAOYSA-N 1 0 323.397 1.732 20 5 DDBDRO O=C(CCOc1ccccc1[N+](=O)[O-])NCC[C@@H]1CCC[NH2+]C1 ZINC000152739557 407679422 /nfs/dbraw/zinc/67/94/22/407679422.db2.gz GYEVUIVKRFVILD-ZDUSSCGKSA-N 1 0 321.377 1.870 20 5 DDBDRO CN1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)Cc2ccccc21 ZINC000267112885 407752637 /nfs/dbraw/zinc/75/26/37/407752637.db2.gz YBVRQDMJUZEVBZ-UHFFFAOYSA-N 1 0 301.350 1.743 20 5 DDBDRO CCN(CCCO)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000267342975 407841748 /nfs/dbraw/zinc/84/17/48/407841748.db2.gz LTGGPELXAVCKEP-UHFFFAOYSA-N 1 0 307.350 1.188 20 5 DDBDRO C[NH2+]C[C@@H](C)CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000237340399 407814839 /nfs/dbraw/zinc/81/48/39/407814839.db2.gz ZDANOOIJPIJISI-SNVBAGLBSA-N 1 0 306.366 1.754 20 5 DDBDRO CC[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000182388465 306704251 /nfs/dbraw/zinc/70/42/51/306704251.db2.gz YFVLIOWJJYFLHD-YDHLFZDLSA-N 1 0 324.377 1.882 20 5 DDBDRO C[C@H]1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000262449759 407836735 /nfs/dbraw/zinc/83/67/35/407836735.db2.gz HPKBLULUTHLCCV-NWDGAFQWSA-N 1 0 306.366 1.450 20 5 DDBDRO CC1(C)[C@@H]2C[N@@H+](C[C@H](O)COc3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000172957137 407854742 /nfs/dbraw/zinc/85/47/42/407854742.db2.gz LZVXWYKLBXHBOK-AEGPPILISA-N 1 0 306.362 1.922 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)NCC[C@@H]1CCC[NH2+]C1 ZINC000237994555 407866939 /nfs/dbraw/zinc/86/69/39/407866939.db2.gz VOPZZIXNEGADQK-LBPRGKRZSA-N 1 0 307.350 1.480 20 5 DDBDRO Cc1c(CC(=O)N[C@@H](C)[C@H]2CN(C)CCO2)cccc1[N+](=O)[O-] ZINC000133796733 407871706 /nfs/dbraw/zinc/87/17/06/407871706.db2.gz ZJVYPMFOOOKJHT-SWLSCSKDSA-N 1 0 321.377 1.281 20 5 DDBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])cnc1N)[NH+]1CCC(C)CC1 ZINC000180550867 407898109 /nfs/dbraw/zinc/89/81/09/407898109.db2.gz RNHCQVHYLMXDMS-LLVKDONJSA-N 1 0 321.381 1.422 20 5 DDBDRO O=C(CNc1ccccc1[N+](=O)[O-])N1CC[NH+](CC2CC2)CC1 ZINC000065873322 161566181 /nfs/dbraw/zinc/56/61/81/161566181.db2.gz WOCYGHOKEQTMLT-UHFFFAOYSA-N 1 0 318.377 1.561 20 5 DDBDRO COC(=O)[C@@H](O)C1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000135376839 408009800 /nfs/dbraw/zinc/00/98/00/408009800.db2.gz HSFAVAOFCCOQQI-HNNXBMFYSA-N 1 0 322.361 1.383 20 5 DDBDRO COCCO[C@H]1CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000189721522 408090554 /nfs/dbraw/zinc/09/05/54/408090554.db2.gz IKEGWUIPIRWDDO-GJZGRUSLSA-N 1 0 310.350 1.366 20 5 DDBDRO COCC[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccco1 ZINC000273222716 408113199 /nfs/dbraw/zinc/11/31/99/408113199.db2.gz DLOAQVXIOXOFFF-QWHCGFSZSA-N 1 0 324.337 1.113 20 5 DDBDRO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1cnn(C)c1 ZINC000273425654 408194170 /nfs/dbraw/zinc/19/41/70/408194170.db2.gz WKXCVILJHWMMLV-WCQYABFASA-N 1 0 320.349 1.419 20 5 DDBDRO CC[NH+](CC)[C@@H](C)CNc1ncc(C(=O)OC)cc1[N+](=O)[O-] ZINC000190167351 408179104 /nfs/dbraw/zinc/17/91/04/408179104.db2.gz HPGNELBBLFAIMD-JTQLQIEISA-N 1 0 310.354 1.919 20 5 DDBDRO CC[C@H](C)[N@H+](C)CCNc1ncc(C(=O)OC)cc1[N+](=O)[O-] ZINC000190171681 408182074 /nfs/dbraw/zinc/18/20/74/408182074.db2.gz OQJVSMPWHHRTAA-JTQLQIEISA-N 1 0 310.354 1.919 20 5 DDBDRO O=[N+]([O-])c1cnc(NC2CC[NH+](Cc3ccncc3)CC2)nc1 ZINC000273597138 408258503 /nfs/dbraw/zinc/25/85/03/408258503.db2.gz ISKHUTMHJSWRJP-UHFFFAOYSA-N 1 0 314.349 1.856 20 5 DDBDRO CC[C@H](COC)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000273450777 408203751 /nfs/dbraw/zinc/20/37/51/408203751.db2.gz OQDFVKVKZNEUSX-LLVKDONJSA-N 1 0 316.379 1.383 20 5 DDBDRO CN(C(=O)C[N@H+](C)CC1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000155908817 408225001 /nfs/dbraw/zinc/22/50/01/408225001.db2.gz PZTNOUYAVINSQK-UHFFFAOYSA-N 1 0 321.377 1.916 20 5 DDBDRO CC[NH2+]CCNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000151382159 408303147 /nfs/dbraw/zinc/30/31/47/408303147.db2.gz MRSWKKACMOGODI-UHFFFAOYSA-N 1 0 316.155 1.697 20 5 DDBDRO C[NH2+]C[C@H](C)CNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000133230899 162054734 /nfs/dbraw/zinc/05/47/34/162054734.db2.gz UQMJITKHYSUMBI-QMMMGPOBSA-N 1 0 321.786 1.382 20 5 DDBDRO CC[N@@H+]1CCCN(C(=O)CCn2cc([N+](=O)[O-])nc2C)CC1 ZINC000133428712 162059154 /nfs/dbraw/zinc/05/91/54/162059154.db2.gz LVINKHSVASJBKT-UHFFFAOYSA-N 1 0 309.370 1.044 20 5 DDBDRO CC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C[C@H](C)O ZINC000246824879 408348751 /nfs/dbraw/zinc/34/87/51/408348751.db2.gz LNEYDDZGKZERDH-JSGCOSHPSA-N 1 0 321.377 1.512 20 5 DDBDRO [NH3+]CCOc1ccc(NC(=O)CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000183238076 408362092 /nfs/dbraw/zinc/36/20/92/408362092.db2.gz BJQSGMUHBRENGX-UHFFFAOYSA-N 1 0 319.321 1.158 20 5 DDBDRO Cc1ccc(S(=O)(=O)N2CC[C@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000170873723 162196755 /nfs/dbraw/zinc/19/67/55/162196755.db2.gz ZXFAUICFBTZFJE-NSHDSACASA-N 1 0 313.379 1.228 20 5 DDBDRO CC[N@@H+]1CCC[C@@H](NC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000171100297 162206392 /nfs/dbraw/zinc/20/63/92/162206392.db2.gz YDSBMTBOJSVGAL-CYBMUJFWSA-N 1 0 323.397 1.399 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)c1 ZINC000171452836 162219795 /nfs/dbraw/zinc/21/97/95/162219795.db2.gz UDKNOEBOLUVLOP-LBPRGKRZSA-N 1 0 319.361 1.914 20 5 DDBDRO Cc1nn(C)c(C(=O)N2CCC([NH+]3CCCC3)CC2)c1[N+](=O)[O-] ZINC000171506114 162222442 /nfs/dbraw/zinc/22/24/42/162222442.db2.gz RXBURMTVHTWTEM-UHFFFAOYSA-N 1 0 321.381 1.337 20 5 DDBDRO Cc1c(CC(=O)NCC[NH+]2CCSCC2)cccc1[N+](=O)[O-] ZINC000269672156 408384755 /nfs/dbraw/zinc/38/47/55/408384755.db2.gz GPWLPWCRZOMTHH-UHFFFAOYSA-N 1 0 323.418 1.611 20 5 DDBDRO CC(C)CN(CC[NH+](C)C)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000176501595 408382191 /nfs/dbraw/zinc/38/21/91/408382191.db2.gz XSAXVBZNPRBJRL-UHFFFAOYSA-N 1 0 308.382 1.837 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+](CCO)Cc1ccccc1 ZINC000269888729 408460260 /nfs/dbraw/zinc/46/02/60/408460260.db2.gz KXGAPFRZJGIUHT-UHFFFAOYSA-N 1 0 317.345 1.251 20 5 DDBDRO C[NH+](C)Cc1ccnc(NC(=O)CCn2cc([N+](=O)[O-])cn2)c1 ZINC000176938990 408479133 /nfs/dbraw/zinc/47/91/33/408479133.db2.gz JLPJXALGRLUPDR-UHFFFAOYSA-N 1 0 318.337 1.277 20 5 DDBDRO COCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000264432109 408486887 /nfs/dbraw/zinc/48/68/87/408486887.db2.gz AUCYFVYQMMMMJI-GFCCVEGCSA-N 1 0 323.349 1.054 20 5 DDBDRO O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000264533272 408524943 /nfs/dbraw/zinc/52/49/43/408524943.db2.gz YYFNJFKEJDKAGE-NSHDSACASA-N 1 0 320.349 1.396 20 5 DDBDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1csc([N+](=O)[O-])c1 ZINC000176865817 408462876 /nfs/dbraw/zinc/46/28/76/408462876.db2.gz ZGMXLHDYERCZEZ-NSHDSACASA-N 1 0 315.395 1.743 20 5 DDBDRO C[C@H]1CN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@@H]1[NH+](C)C ZINC000270553865 408578085 /nfs/dbraw/zinc/57/80/85/408578085.db2.gz CEAULLYODWVWCR-WFASDCNBSA-N 1 0 320.393 1.440 20 5 DDBDRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000161297781 408583524 /nfs/dbraw/zinc/58/35/24/408583524.db2.gz DGQAWKPSBNGHOA-PWSUYJOCSA-N 1 0 306.366 1.636 20 5 DDBDRO CC[NH+](CC)CCNS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000184073912 408542032 /nfs/dbraw/zinc/54/20/32/408542032.db2.gz VGXAFOPJJAVFBD-UHFFFAOYSA-N 1 0 315.395 1.356 20 5 DDBDRO CC[NH+]1CCN(CCCNc2nccc(C)c2[N+](=O)[O-])CC1 ZINC000265283833 408604525 /nfs/dbraw/zinc/60/45/25/408604525.db2.gz WSTWOEONDNBANH-UHFFFAOYSA-N 1 0 307.398 1.738 20 5 DDBDRO O=C(c1ccc([N+](=O)[O-])o1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000265444069 408654153 /nfs/dbraw/zinc/65/41/53/408654153.db2.gz LKUGVBZXQGCQBT-UHFFFAOYSA-N 1 0 323.349 1.372 20 5 DDBDRO Cc1cc(C)c(S(=O)(=O)NC[C@H]([NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000193314121 408710648 /nfs/dbraw/zinc/71/06/48/408710648.db2.gz WOQUVBNKFWONAL-NSHDSACASA-N 1 0 313.379 1.227 20 5 DDBDRO CC(C)[C@H](CCO)[NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000162196311 408680560 /nfs/dbraw/zinc/68/05/60/408680560.db2.gz MUZBIMLARIIAQE-LSDHHAIUSA-N 1 0 321.377 1.697 20 5 DDBDRO O=C1CCCN1[C@@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000270825157 408696688 /nfs/dbraw/zinc/69/66/88/408696688.db2.gz BVTCILMYXHEHCC-OAHLLOKOSA-N 1 0 303.362 1.834 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCCC[C@@H]1C(N)=O ZINC000184833183 408697998 /nfs/dbraw/zinc/69/79/98/408697998.db2.gz RANQVERJNIIPIK-QWHCGFSZSA-N 1 0 307.350 1.737 20 5 DDBDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000249732990 408758575 /nfs/dbraw/zinc/75/85/75/408758575.db2.gz BSDYXMVATFXHMZ-UPJWGTAASA-N 1 0 323.397 1.274 20 5 DDBDRO Cc1n[nH]c(C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)c1[N+](=O)[O-] ZINC000265725753 408760415 /nfs/dbraw/zinc/76/04/15/408760415.db2.gz OIZWWRDMJIEMKQ-GFCCVEGCSA-N 1 0 321.381 1.717 20 5 DDBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000285886596 408882825 /nfs/dbraw/zinc/88/28/25/408882825.db2.gz CFUHBZRANWRYOX-JRPNMDOOSA-N 1 0 307.350 1.476 20 5 DDBDRO O=C1N[C@H]2CC[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)C[C@@H]2CO1 ZINC000281333024 408883240 /nfs/dbraw/zinc/88/32/40/408883240.db2.gz LYUMSEBVXYXCPI-RISCZKNCSA-N 1 0 321.333 1.404 20 5 DDBDRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)/C=C/c3cccc([N+](=O)[O-])c3)C[C@@H]12 ZINC000184973234 162911855 /nfs/dbraw/zinc/91/18/55/162911855.db2.gz HZHRQWYMGSSIGD-KAPMZBPDSA-N 1 0 301.346 1.804 20 5 DDBDRO CC[N@H+](C)CCNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000276191317 408824726 /nfs/dbraw/zinc/82/47/26/408824726.db2.gz HJYCNHVCOUUJST-UHFFFAOYSA-N 1 0 301.368 1.362 20 5 DDBDRO C[C@H](CO)[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C1CCCC1 ZINC000276510783 408872491 /nfs/dbraw/zinc/87/24/91/408872491.db2.gz ZSLIFKNCXXDXHJ-GFCCVEGCSA-N 1 0 309.366 1.382 20 5 DDBDRO C[C@@H](CO)[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C1CCCC1 ZINC000276510784 408872658 /nfs/dbraw/zinc/87/26/58/408872658.db2.gz ZSLIFKNCXXDXHJ-LBPRGKRZSA-N 1 0 309.366 1.382 20 5 DDBDRO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000291746262 408916307 /nfs/dbraw/zinc/91/63/07/408916307.db2.gz BSHSTNHKQXQRGY-SNVBAGLBSA-N 1 0 323.349 1.782 20 5 DDBDRO CN(C(=O)CN1C[C@@H]2C[N@@H+](C)C[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000193652057 163263288 /nfs/dbraw/zinc/26/32/88/163263288.db2.gz KQHUKHZHDMYFHZ-BETUJISGSA-N 1 0 318.377 1.051 20 5 DDBDRO COc1ccc(C[NH2+]CC2(N3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000277553339 408964194 /nfs/dbraw/zinc/96/41/94/408964194.db2.gz ZEIHUHPFVYIXDK-UHFFFAOYSA-N 1 0 321.377 1.558 20 5 DDBDRO C[N@@H+]1CC[C@]2(CCN(c3ccc([N+](=O)[O-])c4nonc43)C2)C1 ZINC000292329185 409025288 /nfs/dbraw/zinc/02/52/88/409025288.db2.gz PHPBHUSLAXTPQP-AWEZNQCLSA-N 1 0 303.322 1.663 20 5 DDBDRO CC[N@@H+]1CC[C@H]2OCCN(c3ccc([N+](=O)[O-])c(C)n3)[C@H]2C1 ZINC000292732721 409041047 /nfs/dbraw/zinc/04/10/47/409041047.db2.gz IGEMSEVBOSCPPY-UONOGXRCSA-N 1 0 306.366 1.598 20 5 DDBDRO CCNC(=O)[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000293413578 409108630 /nfs/dbraw/zinc/10/86/30/409108630.db2.gz ZFMQLQHCALACQN-AWEZNQCLSA-N 1 0 309.366 1.724 20 5 DDBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)C[C@H](O)Cc1ccccc1 ZINC000293418626 409109895 /nfs/dbraw/zinc/10/98/95/409109895.db2.gz SQDZBQGGJYZYMU-OAHLLOKOSA-N 1 0 304.350 1.327 20 5 DDBDRO CN(C)c1cc(F)c(C(=O)NCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000279142336 409156507 /nfs/dbraw/zinc/15/65/07/409156507.db2.gz DGCQVNLYOUGPAH-UHFFFAOYSA-N 1 0 312.345 1.481 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCC[C@H]1CCO ZINC000279281363 409183850 /nfs/dbraw/zinc/18/38/50/409183850.db2.gz OKBUTHFRCGWCCY-BFHYXJOUSA-N 1 0 324.377 1.475 20 5 DDBDRO C[C@H](CN1CCCC1=O)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283956057 409247386 /nfs/dbraw/zinc/24/73/86/409247386.db2.gz FZQABULFEJUJLI-GHMZBOCLSA-N 1 0 306.366 1.839 20 5 DDBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCc1cn[nH]c1 ZINC000289570226 409282751 /nfs/dbraw/zinc/28/27/51/409282751.db2.gz AXGGBAUNSCLBCZ-LLVKDONJSA-N 1 0 317.349 1.867 20 5 DDBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000295224157 409385972 /nfs/dbraw/zinc/38/59/72/409385972.db2.gz NBSDBEZGWGNWRV-KMLBCRHOSA-N 1 0 307.375 1.409 20 5 DDBDRO CC1(C)C[C@H](O)CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000295984132 409392236 /nfs/dbraw/zinc/39/22/36/409392236.db2.gz JLBZUDSBJLHPDT-CYBMUJFWSA-N 1 0 309.366 1.239 20 5 DDBDRO C[C@@H](CCCC[NH3+])NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000312867223 164010099 /nfs/dbraw/zinc/01/00/99/164010099.db2.gz SVFQCNCHFPLNMP-JTQLQIEISA-N 1 0 301.368 1.391 20 5 DDBDRO CNc1c(C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000317286346 164026835 /nfs/dbraw/zinc/02/68/35/164026835.db2.gz KMXJZRUAOOBCEG-WDEREUQCSA-N 1 0 306.366 1.849 20 5 DDBDRO CC(C)[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000318043570 164029844 /nfs/dbraw/zinc/02/98/44/164029844.db2.gz JITTYCOZUNRPLA-QLFBSQMISA-N 1 0 310.398 1.957 20 5 DDBDRO C[C@H]1CCOCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000373280177 164169286 /nfs/dbraw/zinc/16/92/86/164169286.db2.gz JMGOGFHUOUVIAQ-QWHCGFSZSA-N 1 0 310.350 1.445 20 5 DDBDRO Cn1cc(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cn1 ZINC000331550686 409625713 /nfs/dbraw/zinc/62/57/13/409625713.db2.gz GWTFUSHYSFRFNC-OLZOCXBDSA-N 1 0 304.354 1.798 20 5 DDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@]2(O)CCOC2)n1 ZINC000331571657 409651867 /nfs/dbraw/zinc/65/18/67/409651867.db2.gz IUVNRDKIJREAQK-OUCADQQQSA-N 1 0 310.354 1.016 20 5 DDBDRO [NH3+][C@H]1CCCN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000346097137 409779542 /nfs/dbraw/zinc/77/95/42/409779542.db2.gz PXPAPIKPSLTYHA-NSHDSACASA-N 1 0 320.349 1.316 20 5 DDBDRO COc1cc(C(=O)N[C@H](CC[NH3+])C(F)(F)F)ccc1[N+](=O)[O-] ZINC000307830173 409780962 /nfs/dbraw/zinc/78/09/62/409780962.db2.gz ZELVBLQXMRPVHC-SNVBAGLBSA-N 1 0 321.255 1.613 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]1CCC[NH2+][C@@H]1C ZINC000342718725 409841806 /nfs/dbraw/zinc/84/18/06/409841806.db2.gz FSLQJROABMQSTM-MFKMUULPSA-N 1 0 307.350 1.608 20 5 DDBDRO C[C@H]1[C@H](C)[N@H+](C)CCN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000357005086 409784077 /nfs/dbraw/zinc/78/40/77/409784077.db2.gz QVOWUVYVELQHLJ-STQMWFEESA-N 1 0 320.393 1.582 20 5 DDBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Cn2cc([N+](=O)[O-])nc2C)C[C@H]1C ZINC000354385300 409814357 /nfs/dbraw/zinc/81/43/57/409814357.db2.gz CTOWRJJSCWJBOP-YPMHNXCESA-N 1 0 323.397 1.431 20 5 DDBDRO C[C@H](C[NH+](C)C)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000346142556 409817694 /nfs/dbraw/zinc/81/76/94/409817694.db2.gz RRIIEIWHEUOHGV-GFCCVEGCSA-N 1 0 320.393 1.875 20 5 DDBDRO Cc1cccc(OCC[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000321203355 409911502 /nfs/dbraw/zinc/91/15/02/409911502.db2.gz WNZQSUNCGHSSAJ-CQSZACIVSA-N 1 0 320.349 1.129 20 5 DDBDRO C[C@H](O)C[N@@H+]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000342857473 409951179 /nfs/dbraw/zinc/95/11/79/409951179.db2.gz MFSPIUBWGDDFOX-IORUMNFESA-N 1 0 319.405 1.995 20 5 DDBDRO COc1cccc(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000332238077 410003838 /nfs/dbraw/zinc/00/38/38/410003838.db2.gz HQWZMQHBXGCXIT-OLZOCXBDSA-N 1 0 319.361 1.960 20 5 DDBDRO C[C@H]1C[N@H+](C)CCN1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000332362968 410099080 /nfs/dbraw/zinc/09/90/80/410099080.db2.gz XAHNMFDKBGPYOB-LBPRGKRZSA-N 1 0 318.377 1.120 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[N@@H+]([C@@H](C)CO)CC2)c1 ZINC000347152524 410364864 /nfs/dbraw/zinc/36/48/64/410364864.db2.gz YPUXJGUXIIUGCM-ZDUSSCGKSA-N 1 0 321.377 1.432 20 5 DDBDRO Nc1nc(N[C@H]2CC[N@H+](Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000298746874 410380188 /nfs/dbraw/zinc/38/01/88/410380188.db2.gz UXLCKKDRVNBIOG-LBPRGKRZSA-N 1 0 314.349 1.653 20 5 DDBDRO CC(C)c1ccc(CNC[C@]2(O)CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000358171264 410393576 /nfs/dbraw/zinc/39/35/76/410393576.db2.gz SALFKUPAKSHJIU-MRXNPFEDSA-N 1 0 307.394 1.874 20 5 DDBDRO O=[N+]([O-])c1ccc(OCCC[NH+]2CCC(OCCO)CC2)cc1 ZINC000339784695 410459032 /nfs/dbraw/zinc/45/90/32/410459032.db2.gz XPHKVCMOTBKYNQ-UHFFFAOYSA-N 1 0 324.377 1.837 20 5 DDBDRO Cn1cnc(CC[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000358397764 410460574 /nfs/dbraw/zinc/46/05/74/410460574.db2.gz KTILLEWXFWVGBH-AWEZNQCLSA-N 1 0 315.377 1.877 20 5 DDBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)NC[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000299040734 410495450 /nfs/dbraw/zinc/49/54/50/410495450.db2.gz RTCOVBZMDGUIAL-TZMCWYRMSA-N 1 0 321.377 1.849 20 5 DDBDRO C[N@H+](CCNC(=O)c1ccc([N+](=O)[O-])[nH]1)Cc1ccccc1 ZINC000299109307 410527932 /nfs/dbraw/zinc/52/79/32/410527932.db2.gz QCYCIIGJPGKQSP-UHFFFAOYSA-N 1 0 302.334 1.785 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCC1([NH+](C)C)CCCC1 ZINC000299250456 410583362 /nfs/dbraw/zinc/58/33/62/410583362.db2.gz DQZSFTQNOQWIFL-UHFFFAOYSA-N 1 0 323.397 1.480 20 5 DDBDRO Cc1c(CNC(=O)NCCOCC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000359302738 410590780 /nfs/dbraw/zinc/59/07/80/410590780.db2.gz IRYZWKFAXNXFKQ-UHFFFAOYSA-N 1 0 324.381 1.281 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000355594268 410598094 /nfs/dbraw/zinc/59/80/94/410598094.db2.gz DNFXYLCOYXZVAL-HNNXBMFYSA-N 1 0 322.365 1.400 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@H](COC(F)F)C1 ZINC000353022924 410741651 /nfs/dbraw/zinc/74/16/51/410741651.db2.gz FIRGITBYLDXRNG-JTQLQIEISA-N 1 0 317.292 1.318 20 5 DDBDRO Cc1nc(NC[C@@H](O)C[NH+]2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000301629844 410760289 /nfs/dbraw/zinc/76/02/89/410760289.db2.gz CBNYNJWITAITFE-CYBMUJFWSA-N 1 0 308.382 1.803 20 5 DDBDRO Cn1cc([N+](=O)[O-])c(C(=O)NCC(C)(C)[NH+]2CCCCC2)n1 ZINC000330569823 410784750 /nfs/dbraw/zinc/78/47/50/410784750.db2.gz MEWVVRXMAHVGPH-UHFFFAOYSA-N 1 0 309.370 1.323 20 5 DDBDRO C[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1CO ZINC000337476473 410815995 /nfs/dbraw/zinc/81/59/95/410815995.db2.gz SJWHAPYXTZMOCF-VXGBXAGGSA-N 1 0 307.350 1.484 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NCC[N@H+](C)C1CCCCC1 ZINC000330589820 410804323 /nfs/dbraw/zinc/80/43/23/410804323.db2.gz ZSOVKLPGKNYJFH-UHFFFAOYSA-N 1 0 309.370 1.323 20 5 DDBDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000337503825 410828457 /nfs/dbraw/zinc/82/84/57/410828457.db2.gz GDMOAAOVWXKQCH-OLZOCXBDSA-N 1 0 320.393 1.983 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[N@@H+](C)C[C@H]1C ZINC000330677817 410868337 /nfs/dbraw/zinc/86/83/37/410868337.db2.gz VSIMBSWOWKIZSH-GFCCVEGCSA-N 1 0 306.366 1.478 20 5 DDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000344055665 410924479 /nfs/dbraw/zinc/92/44/79/410924479.db2.gz KUSVPNXLTQARLO-PKIAMQTDSA-N 1 0 319.361 1.625 20 5 DDBDRO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000348522941 410998097 /nfs/dbraw/zinc/99/80/97/410998097.db2.gz AQSBBLMXRRVNSX-NEPJUHHUSA-N 1 0 307.350 1.559 20 5 DDBDRO CC1CC[NH+](CC2CCN(C(=O)[C@H]3C[C@@H]3[N+](=O)[O-])CC2)CC1 ZINC000360108658 411050116 /nfs/dbraw/zinc/05/01/16/411050116.db2.gz XYHZISKHQJGHOX-GJZGRUSLSA-N 1 0 309.410 1.622 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)NCC[N@@H+]2CCCC(C)(C)C2)n1 ZINC000331296120 411064756 /nfs/dbraw/zinc/06/47/56/411064756.db2.gz NVTRTWFOWVWNLF-UHFFFAOYSA-N 1 0 323.397 1.663 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N(C)C1CC(O)C1 ZINC000353490439 411027070 /nfs/dbraw/zinc/02/70/70/411027070.db2.gz QRGVXIXAIJYTLA-OIKLOGQESA-N 1 0 323.349 1.386 20 5 DDBDRO COC1(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CCCC1 ZINC000580435556 422932122 /nfs/dbraw/zinc/93/21/22/422932122.db2.gz ASUITHNJODJXPA-ZDUSSCGKSA-N 1 0 324.377 1.883 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@H](C)CCCC[NH3+] ZINC000417187455 225237494 /nfs/dbraw/zinc/23/74/94/225237494.db2.gz UWDDHFIQYHMIDD-LLVKDONJSA-N 1 0 324.381 1.920 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000417175927 225232419 /nfs/dbraw/zinc/23/24/19/225232419.db2.gz JQOJLNXMKURJBD-CMPLNLGQSA-N 1 0 322.365 1.530 20 5 DDBDRO Cc1cc(S(=O)(=O)N[C@H]2CCCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000420448804 226498692 /nfs/dbraw/zinc/49/86/92/226498692.db2.gz MFJSCIOSYWLPFW-NSHDSACASA-N 1 0 313.379 1.324 20 5 DDBDRO CC[NH+]1CCN(CC(=O)NCc2cccc([N+](=O)[O-])c2C)CC1 ZINC000360515750 418454627 /nfs/dbraw/zinc/45/46/27/418454627.db2.gz PYTRDDGKXQKVRA-UHFFFAOYSA-N 1 0 320.393 1.157 20 5 DDBDRO O=C(COc1cccc([N+](=O)[O-])c1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000373929402 418474176 /nfs/dbraw/zinc/47/41/76/418474176.db2.gz ORJPRKPDEMNBOV-CHWSQXEVSA-N 1 0 319.361 1.717 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000373929382 418474325 /nfs/dbraw/zinc/47/43/25/418474325.db2.gz OJIZHBWNPJVSBB-TZMCWYRMSA-N 1 0 319.361 1.717 20 5 DDBDRO C[C@H]1c2ccccc2C[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000361044805 418572847 /nfs/dbraw/zinc/57/28/47/418572847.db2.gz JPOHSSPNVXSZEB-FZMZJTMJSA-N 1 0 302.334 1.729 20 5 DDBDRO C[C@H]1CN(CC[N@@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)CCO1 ZINC000367049124 418555467 /nfs/dbraw/zinc/55/54/67/418555467.db2.gz CDRHCSVDMYKJBM-UONOGXRCSA-N 1 0 323.397 1.149 20 5 DDBDRO COCC[NH2+]CCNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000212749020 418559270 /nfs/dbraw/zinc/55/92/70/418559270.db2.gz SKBZLZYNZPBLAW-UHFFFAOYSA-N 1 0 301.730 1.214 20 5 DDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000360996860 418563414 /nfs/dbraw/zinc/56/34/14/418563414.db2.gz UMBZFZDLUCEUAM-CYBMUJFWSA-N 1 0 323.397 1.278 20 5 DDBDRO O=C(N[C@H]1C[C@H]1C1CC[NH2+]CC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000361079584 418578212 /nfs/dbraw/zinc/57/82/12/418578212.db2.gz LOFFJKVUGNBMNR-KBPBESRZSA-N 1 0 307.325 1.852 20 5 DDBDRO C[C@H](Nc1nccc(C(N)=O)c1[N+](=O)[O-])C1=CC[N@H+](C)CC1 ZINC000291035612 222088799 /nfs/dbraw/zinc/08/87/99/222088799.db2.gz ZHDAHUICKLLSCK-VIFPVBQESA-N 1 0 305.338 1.151 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H](CO)C(C)(C)C ZINC000193100487 222143629 /nfs/dbraw/zinc/14/36/29/222143629.db2.gz KVTCTTXSBBTMML-CYBMUJFWSA-N 1 0 309.366 1.838 20 5 DDBDRO CNc1c(C(=O)NCCC[N@H+](C)CCOC)cccc1[N+](=O)[O-] ZINC000361147847 418594176 /nfs/dbraw/zinc/59/41/76/418594176.db2.gz XGNSKKXFCHXULH-UHFFFAOYSA-N 1 0 324.381 1.335 20 5 DDBDRO CCC(CC)[C@H](CNc1ncc([N+](=O)[O-])c(N)n1)[NH+]1CCCC1 ZINC000338972941 418620891 /nfs/dbraw/zinc/62/08/91/418620891.db2.gz XZPRVXUPSHNHIU-LBPRGKRZSA-N 1 0 322.413 1.701 20 5 DDBDRO [NH3+][C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000375260767 418622075 /nfs/dbraw/zinc/62/20/75/418622075.db2.gz RLQMCIJDQKDRCM-CLLJXQQHSA-N 1 0 318.377 1.878 20 5 DDBDRO CC[C@H](C)[NH2+][C@@H](CNc1ncc([N+](=O)[O-])c(N)n1)c1ccco1 ZINC000343265597 418631415 /nfs/dbraw/zinc/63/14/15/418631415.db2.gz OTDNGIWXMVPTBA-UWVGGRQHSA-N 1 0 320.353 1.523 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccn(CC[NH+](C)C)n2)c1 ZINC000358207556 418653666 /nfs/dbraw/zinc/65/36/66/418653666.db2.gz DTJFQRAYZUCYHF-UHFFFAOYSA-N 1 0 317.349 1.914 20 5 DDBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@@H](CO)C3CCOCC3)nc2c1 ZINC000361608972 418690380 /nfs/dbraw/zinc/69/03/80/418690380.db2.gz ICCVDXZUMJBARY-AWEZNQCLSA-N 1 0 320.349 1.348 20 5 DDBDRO O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000368201607 418703023 /nfs/dbraw/zinc/70/30/23/418703023.db2.gz MGQVLGLCPUIFJU-UWVGGRQHSA-N 1 0 307.281 1.771 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000382417557 418730610 /nfs/dbraw/zinc/73/06/10/418730610.db2.gz IAIZNZHPOQDDRD-QWRGUYRKSA-N 1 0 313.379 1.451 20 5 DDBDRO CNc1ccc(C(=O)NC[C@@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000387573797 418743907 /nfs/dbraw/zinc/74/39/07/418743907.db2.gz XOWQLLCTPICGLJ-NSHDSACASA-N 1 0 306.366 1.708 20 5 DDBDRO C[N@@H+]1CCCC12CCN(C(=O)c1cc([N+](=O)[O-])c[nH]c1=O)CC2 ZINC000364661697 418797769 /nfs/dbraw/zinc/79/77/69/418797769.db2.gz WHQXNJMPHMQWEC-UHFFFAOYSA-N 1 0 320.349 1.396 20 5 DDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@](O)(C2CC2)C1 ZINC000365839911 418915384 /nfs/dbraw/zinc/91/53/84/418915384.db2.gz UBWWCQCCKPVOTO-BZNIZROVSA-N 1 0 319.361 1.769 20 5 DDBDRO O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000373065177 418925856 /nfs/dbraw/zinc/92/58/56/418925856.db2.gz FARGTESIOVGGIS-HGIUVPSYSA-N 1 0 301.346 1.818 20 5 DDBDRO C[C@@H]1C[C@@H](C)N(C(=O)COc2ccccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000424050381 228223107 /nfs/dbraw/zinc/22/31/07/228223107.db2.gz CSPNJMPYGVCLLA-JHJVBQTASA-N 1 0 321.377 1.805 20 5 DDBDRO COc1ccc(CN2C[C@@H](C)[N@H+](CCO)C[C@H]2C)cc1[N+](=O)[O-] ZINC000418106333 419535823 /nfs/dbraw/zinc/53/58/23/419535823.db2.gz CDQSITYMUYCZLW-CHWSQXEVSA-N 1 0 323.393 1.490 20 5 DDBDRO COC1([C@H](C)[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCC1 ZINC000412021939 419564403 /nfs/dbraw/zinc/56/44/03/419564403.db2.gz OEQYWLFVUVQSGO-QWHCGFSZSA-N 1 0 324.377 1.882 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCc2nnnn2CC1 ZINC000421400142 419596125 /nfs/dbraw/zinc/59/61/25/419596125.db2.gz RQAMCTQAJCFNEF-DGCLKSJQSA-N 1 0 316.365 1.507 20 5 DDBDRO [NH3+]CCCNC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000418312167 419696654 /nfs/dbraw/zinc/69/66/54/419696654.db2.gz NJTQVURQHKKHEN-UHFFFAOYSA-N 1 0 322.365 1.496 20 5 DDBDRO C[N@@H+]1CCO[C@@H]2CN(c3ccc([N+](=O)[O-])c4ncccc34)C[C@@H]21 ZINC000413469477 419786239 /nfs/dbraw/zinc/78/62/39/419786239.db2.gz KOOJGGSBPXRSNQ-LSDHHAIUSA-N 1 0 314.345 1.662 20 5 DDBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000418389733 419765583 /nfs/dbraw/zinc/76/55/83/419765583.db2.gz WREPJQXXZJKHPG-CYBMUJFWSA-N 1 0 306.366 1.531 20 5 DDBDRO COC(=O)[C@@H]1CN(c2cc(C)ccc2[N+](=O)[O-])CC[N@H+](C)C1 ZINC000413508302 419789332 /nfs/dbraw/zinc/78/93/32/419789332.db2.gz XIOQXUORHFIXGK-LBPRGKRZSA-N 1 0 307.350 1.444 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1NCc1ccccc1OCC[NH+](C)C ZINC000299308682 229042175 /nfs/dbraw/zinc/04/21/75/229042175.db2.gz GCJHETSMUJXMCO-UHFFFAOYSA-N 1 0 319.365 1.881 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000430940822 228983711 /nfs/dbraw/zinc/98/37/11/228983711.db2.gz RLBKQSAMUHRPIX-VXGBXAGGSA-N 1 0 306.366 1.524 20 5 DDBDRO COc1cc(C(=O)N2CCC[C@H](C[NH3+])C2)cc([N+](=O)[O-])c1OC ZINC000428530781 419885805 /nfs/dbraw/zinc/88/58/05/419885805.db2.gz XPYWKGLRHYIAHZ-SNVBAGLBSA-N 1 0 323.349 1.423 20 5 DDBDRO COCC[N@H+](C)CCCNC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000299628676 229277679 /nfs/dbraw/zinc/27/76/79/229277679.db2.gz LGTHRGJYJMXEAS-UHFFFAOYSA-N 1 0 309.366 1.601 20 5 DDBDRO C[C@@H]([NH3+])[C@H](C)NC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000418690629 419935630 /nfs/dbraw/zinc/93/56/30/419935630.db2.gz CZRHGYAMVNCNIC-ZJUUUORDSA-N 1 0 308.338 1.235 20 5 DDBDRO COc1cc(C(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)cc([N+](=O)[O-])c1C ZINC000423462092 420055050 /nfs/dbraw/zinc/05/50/50/420055050.db2.gz KHJRFSCKWPKUSE-GXSJLCMTSA-N 1 0 307.350 1.721 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000423608556 420098487 /nfs/dbraw/zinc/09/84/87/420098487.db2.gz NVGSKCFJHWHMJB-PHIMTYICSA-N 1 0 305.334 1.285 20 5 DDBDRO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000415628376 420129456 /nfs/dbraw/zinc/12/94/56/420129456.db2.gz FAGJYOURYFVJNX-AWEZNQCLSA-N 1 0 308.313 1.951 20 5 DDBDRO Cc1c(NC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000415656857 420137813 /nfs/dbraw/zinc/13/78/13/420137813.db2.gz UGADEDQLZJQACU-GHMZBOCLSA-N 1 0 320.349 1.228 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000415496879 420091034 /nfs/dbraw/zinc/09/10/34/420091034.db2.gz HGHNPFDBTJKMEF-VHSXEESVSA-N 1 0 308.338 1.804 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000415499701 420091454 /nfs/dbraw/zinc/09/14/54/420091454.db2.gz KMKUSWUOHVEBOV-LBPRGKRZSA-N 1 0 308.338 1.403 20 5 DDBDRO Cc1nc(NCCC[NH2+]Cc2cccnc2)ncc1[N+](=O)[O-] ZINC000420181365 420143809 /nfs/dbraw/zinc/14/38/09/420143809.db2.gz HUYSNGITKGCNHC-UHFFFAOYSA-N 1 0 302.338 1.680 20 5 DDBDRO C[NH2+]C[C@H]1CCCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000430624999 420163042 /nfs/dbraw/zinc/16/30/42/420163042.db2.gz JVJBXFWLJKOOES-QWHCGFSZSA-N 1 0 320.393 1.853 20 5 DDBDRO CC(C)(C(=O)NC[C@@H]1[NH2+]CCCC1(C)C)n1cc([N+](=O)[O-])cn1 ZINC000430629675 420165067 /nfs/dbraw/zinc/16/50/67/420165067.db2.gz QMHWVEMJJZTQKZ-LBPRGKRZSA-N 1 0 323.397 1.421 20 5 DDBDRO Cc1c(NC(=O)[C@@H](C)N2CCC(C[NH3+])CC2)cccc1[N+](=O)[O-] ZINC000430639057 420166537 /nfs/dbraw/zinc/16/65/37/420166537.db2.gz HDPPIRUZPXGQPD-GFCCVEGCSA-N 1 0 320.393 1.901 20 5 DDBDRO CC1(C)CCC[NH2+][C@@H]1CNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000430653791 420172405 /nfs/dbraw/zinc/17/24/05/420172405.db2.gz ZVRJIEJCSKMCRF-CQSZACIVSA-N 1 0 320.393 1.901 20 5 DDBDRO CC1(C)CCC[NH2+][C@@H]1CNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000430704993 420179987 /nfs/dbraw/zinc/17/99/87/420179987.db2.gz KEBKWOADQGZDNW-CQSZACIVSA-N 1 0 321.377 1.868 20 5 DDBDRO C[C@H]1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000420347818 420227059 /nfs/dbraw/zinc/22/70/59/420227059.db2.gz ZJDQWYMVYFRGNC-STQMWFEESA-N 1 0 320.393 1.983 20 5 DDBDRO Cc1cc(OCC(=O)N2CCC[C@H]2C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000435616238 420266675 /nfs/dbraw/zinc/26/66/75/420266675.db2.gz KASYYUCDAYVWCG-ZDUSSCGKSA-N 1 0 321.377 1.835 20 5 DDBDRO [NH3+]CCC[C@@H](NC(=O)Cn1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000423967775 420287689 /nfs/dbraw/zinc/28/76/89/420287689.db2.gz JLFZCWHAOWLVIX-CYBMUJFWSA-N 1 0 317.349 1.388 20 5 DDBDRO C[NH2+]CCN(C)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000420335860 420218351 /nfs/dbraw/zinc/21/83/51/420218351.db2.gz JTWPOBWYYKTHJB-SNVBAGLBSA-N 1 0 310.354 1.082 20 5 DDBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000430948663 420218764 /nfs/dbraw/zinc/21/87/64/420218764.db2.gz KVJXABQFMLJCTF-TUAOUCFPSA-N 1 0 306.366 1.604 20 5 DDBDRO CC(C)(C)c1ccc(C(=O)NC[C@@H]2C[NH2+]CCO2)cc1[N+](=O)[O-] ZINC000423985949 420291107 /nfs/dbraw/zinc/29/11/07/420291107.db2.gz FBJHADYBRHWCOM-LBPRGKRZSA-N 1 0 321.377 1.611 20 5 DDBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000420448537 420294344 /nfs/dbraw/zinc/29/43/44/420294344.db2.gz ROYARQHXGOKUSD-LLVKDONJSA-N 1 0 313.379 1.405 20 5 DDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCCC[NH2+]C2CC2)s1 ZINC000420455740 420299322 /nfs/dbraw/zinc/29/93/22/420299322.db2.gz XSSWKFPUCRWYHN-UHFFFAOYSA-N 1 0 305.381 1.077 20 5 DDBDRO Cc1ccc(S(=O)(=O)NC[C@@H]2CC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC000416495277 420394200 /nfs/dbraw/zinc/39/42/00/420394200.db2.gz LCUXQAOCDYPOSI-NSHDSACASA-N 1 0 313.379 1.133 20 5 DDBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@H](c3nnc[nH]3)C2)c1 ZINC000425541168 420413576 /nfs/dbraw/zinc/41/35/76/420413576.db2.gz FYOXRMFKCNLBJI-NSHDSACASA-N 1 0 303.322 1.581 20 5 DDBDRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000417760553 420470862 /nfs/dbraw/zinc/47/08/62/420470862.db2.gz GIFQITUCTDURAG-NWDGAFQWSA-N 1 0 306.366 1.529 20 5 DDBDRO CNC(=O)c1ccc(N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000450795803 420534045 /nfs/dbraw/zinc/53/40/45/420534045.db2.gz ROHXEQVEUPHYGR-SMDDNHRTSA-N 1 0 304.350 1.095 20 5 DDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000417773177 420475363 /nfs/dbraw/zinc/47/53/63/420475363.db2.gz WLUKYKZDEKWPBX-KGLIPLIRSA-N 1 0 318.377 1.388 20 5 DDBDRO CO[C@@H](C)CNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000451036347 420583988 /nfs/dbraw/zinc/58/39/88/420583988.db2.gz HVNNARZVKCXREH-JTQLQIEISA-N 1 0 304.306 1.545 20 5 DDBDRO CCCc1n[nH]c(C(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000457114144 420618311 /nfs/dbraw/zinc/61/83/11/420618311.db2.gz KGGZXCAPRSYCHI-NSHDSACASA-N 1 0 323.397 1.825 20 5 DDBDRO Cc1ccc(S(=O)(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)c([N+](=O)[O-])c1 ZINC000447252178 420768155 /nfs/dbraw/zinc/76/81/55/420768155.db2.gz ZZWAVEBMKBZOMV-GHMZBOCLSA-N 1 0 313.379 1.261 20 5 DDBDRO Cc1c(NC(=O)[C@H](C)N2C[C@H](C[NH3+])C[C@H]2C)cccc1[N+](=O)[O-] ZINC000442792762 420714927 /nfs/dbraw/zinc/71/49/27/420714927.db2.gz QWGUKDPEHZIYHJ-WXHSDQCUSA-N 1 0 320.393 1.899 20 5 DDBDRO COc1cc(C[NH2+][C@H](CO)[C@@H]2CCCO2)c([N+](=O)[O-])cc1F ZINC000447904355 420813341 /nfs/dbraw/zinc/81/33/41/420813341.db2.gz JVKJTOAYCAUCQW-YPMHNXCESA-N 1 0 314.313 1.372 20 5 DDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCN1CCOCC1 ZINC000449065174 420943902 /nfs/dbraw/zinc/94/39/02/420943902.db2.gz SBKXEEOPPRCEAU-AWEZNQCLSA-N 1 0 307.394 1.838 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H]1CCCCN1CCO ZINC000449391034 421004541 /nfs/dbraw/zinc/00/45/41/421004541.db2.gz HLPSNAJDPCQIHA-INIZCTEOSA-N 1 0 307.394 1.840 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCN(CCCO)C1 ZINC000449395177 421007115 /nfs/dbraw/zinc/00/71/15/421007115.db2.gz IIPXGKGMECUDPS-GDBMZVCRSA-N 1 0 321.421 1.962 20 5 DDBDRO CNc1nc(C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)ccc1[N+](=O)[O-] ZINC000456004537 421087174 /nfs/dbraw/zinc/08/71/74/421087174.db2.gz KFHPDFKRXZZABD-SNVBAGLBSA-N 1 0 319.365 1.412 20 5 DDBDRO [NH3+]C[C@H]1CC[C@@H](NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000449716770 421068153 /nfs/dbraw/zinc/06/81/53/421068153.db2.gz LYOUCWUVHBVEAY-DTWKUNHWSA-N 1 0 303.322 1.328 20 5 DDBDRO O=C1OCCN1CCC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000496225376 421156844 /nfs/dbraw/zinc/15/68/44/421156844.db2.gz ISDAGVZNCQTHPO-CYBMUJFWSA-N 1 0 309.322 1.060 20 5 DDBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NCC[N@@H+]1CCCOCC1 ZINC000491970678 421205429 /nfs/dbraw/zinc/20/54/29/421205429.db2.gz DBEMQWBPMZFMFN-DAXSKMNVSA-N 1 0 319.361 1.447 20 5 DDBDRO CC(C)[NH+](CCNC(=O)c1ccnc(N)c1[N+](=O)[O-])C(C)C ZINC000547727821 421359384 /nfs/dbraw/zinc/35/93/84/421359384.db2.gz BRMGAKBUQYZFGD-UHFFFAOYSA-N 1 0 309.370 1.421 20 5 DDBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)NCC[C@@H]1CC[NH2+]C1 ZINC000516856140 421572370 /nfs/dbraw/zinc/57/23/70/421572370.db2.gz CMWSYGKIUIMZNO-LBPRGKRZSA-N 1 0 322.365 1.272 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CC[C@H]1CCCCO1 ZINC000564202952 421574517 /nfs/dbraw/zinc/57/45/17/421574517.db2.gz IJAIDVIYZWDTNJ-UONOGXRCSA-N 1 0 324.377 1.883 20 5 DDBDRO O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000563704843 421536105 /nfs/dbraw/zinc/53/61/05/421536105.db2.gz CBYTYAXNRVQGMC-WDEREUQCSA-N 1 0 320.349 1.157 20 5 DDBDRO Nc1c(C(=O)N2CC3CCC2(C[NH3+])CC3)cc(F)cc1[N+](=O)[O-] ZINC000570289128 421636887 /nfs/dbraw/zinc/63/68/87/421636887.db2.gz MFGKCFNDBQUBOH-UHFFFAOYSA-N 1 0 322.340 1.660 20 5 DDBDRO COc1cc(C(=O)N2CC[C@@H]([NH3+])C[C@@H]2C)cc([N+](=O)[O-])c1C ZINC000556705683 421725327 /nfs/dbraw/zinc/72/53/27/421725327.db2.gz IUVUHAYVVYPBSF-JOYOIKCWSA-N 1 0 307.350 1.864 20 5 DDBDRO C[C@H](C(=O)NCCN1CCO[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000555307760 421674146 /nfs/dbraw/zinc/67/41/46/421674146.db2.gz MJODKWFAUMOQOM-STQMWFEESA-N 1 0 321.377 1.535 20 5 DDBDRO CCc1ccccc1[C@H]([NH3+])CNC(=O)c1c([N+](=O)[O-])cnn1C ZINC000581011024 421880692 /nfs/dbraw/zinc/88/06/92/421880692.db2.gz IDRHYIVOJBTVSF-GFCCVEGCSA-N 1 0 317.349 1.321 20 5 DDBDRO COC[C@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C(C)C ZINC000543455290 421837594 /nfs/dbraw/zinc/83/75/94/421837594.db2.gz VWNVHFPPGMUNQQ-AWEZNQCLSA-N 1 0 321.377 1.745 20 5 DDBDRO CCCc1n[nH]c(C(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)c1[N+](=O)[O-] ZINC000573794111 422015044 /nfs/dbraw/zinc/01/50/44/422015044.db2.gz FSPZDJAEJDTNSX-GXSJLCMTSA-N 1 0 307.354 1.047 20 5 DDBDRO C[C@@H]([NH3+])c1ccc(CNC(=O)c2cc([N+](=O)[O-])cn2C)cc1 ZINC000581661638 422022217 /nfs/dbraw/zinc/02/22/17/422022217.db2.gz GAOLOVOOBQZUHL-SNVBAGLBSA-N 1 0 302.334 1.883 20 5 DDBDRO C[C@@H]([NH3+])[C@@H](C)C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000582178823 422123920 /nfs/dbraw/zinc/12/39/20/422123920.db2.gz VJPXAPYZNKUBSE-RKDXNWHRSA-N 1 0 303.322 1.907 20 5 DDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000582236495 422134781 /nfs/dbraw/zinc/13/47/81/422134781.db2.gz XUQBDHIOQAAZGA-INIZCTEOSA-N 1 0 303.362 1.739 20 5 DDBDRO C[C@@H]1C[C@H](Nc2ccc3ncc([N+](=O)[O-])n3n2)C[N@@H+]1C1CC1 ZINC000584383767 422299385 /nfs/dbraw/zinc/29/93/85/422299385.db2.gz PEOQRFYKDGKYIK-ZJUUUORDSA-N 1 0 302.338 1.675 20 5 DDBDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2ccnc(NC)c2[N+](=O)[O-])C[C@H]1C ZINC000584788291 422300655 /nfs/dbraw/zinc/30/06/55/422300655.db2.gz KNBGKSYFTYFFLN-MNOVXSKESA-N 1 0 321.381 1.586 20 5 DDBDRO COc1ccc(NC(=O)[C@@H](C)NCC2([NH3+])CCC2)c([N+](=O)[O-])c1 ZINC000342113183 271300611 /nfs/dbraw/zinc/30/06/11/271300611.db2.gz BIIRSXXFZKGGSS-SNVBAGLBSA-N 1 0 322.365 1.401 20 5 DDBDRO C[C@@H]1[NH2+]CCC[C@H]1C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000342750483 271501988 /nfs/dbraw/zinc/50/19/88/271501988.db2.gz MEVKBQYNAZRZQV-SMDDNHRTSA-N 1 0 306.366 1.511 20 5 DDBDRO CC[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)C1CCOCC1 ZINC000343432367 271770610 /nfs/dbraw/zinc/77/06/10/271770610.db2.gz SIUMICXSHNQDRV-CQSZACIVSA-N 1 0 309.366 1.551 20 5 DDBDRO Cc1nn(C)c(C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)c1[N+](=O)[O-] ZINC000344662744 272084254 /nfs/dbraw/zinc/08/42/54/272084254.db2.gz KMIQUOGEVOWQRU-LLVKDONJSA-N 1 0 323.397 1.487 20 5 DDBDRO C[C@H]1[C@H](NC(=O)CNc2ccccc2[N+](=O)[O-])CCC[N@@H+]1C ZINC000345328974 272221007 /nfs/dbraw/zinc/22/10/07/272221007.db2.gz VEJKXJXFHXAEQJ-NWDGAFQWSA-N 1 0 306.366 1.606 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000345593537 272287672 /nfs/dbraw/zinc/28/76/72/272287672.db2.gz CPMUHOXTGILFHT-NSHDSACASA-N 1 0 319.361 1.818 20 5 DDBDRO CC[C@H](CO)[NH+]1CCN(c2cccc(OC)c2[N+](=O)[O-])CC1 ZINC000185496040 273747320 /nfs/dbraw/zinc/74/73/20/273747320.db2.gz FJEDCNCUUVMBCB-GFCCVEGCSA-N 1 0 309.366 1.496 20 5 DDBDRO CS[C@H]1CN(c2ncc([N+](=O)[O-])c(C)n2)C[C@@H]1[NH+]1CCCC1 ZINC000295117244 274187522 /nfs/dbraw/zinc/18/75/22/274187522.db2.gz WGFDHTBDAIMQEO-STQMWFEESA-N 1 0 323.422 1.709 20 5 DDBDRO O=C(Nc1ccncc1[N+](=O)[O-])N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000332487637 274979103 /nfs/dbraw/zinc/97/91/03/274979103.db2.gz ZSELPHAJWTZTNT-VXGBXAGGSA-N 1 0 319.365 1.265 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)N(C)CC2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000269445184 276040097 /nfs/dbraw/zinc/04/00/97/276040097.db2.gz QFRUBIRTAVSRDB-UHFFFAOYSA-N 1 0 323.397 1.855 20 5 DDBDRO C[NH2+]C[C@H]1CCCN1S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000156618844 277033102 /nfs/dbraw/zinc/03/31/02/277033102.db2.gz UIFCKFJYHVBVRD-LLVKDONJSA-N 1 0 313.379 1.276 20 5 DDBDRO C[N@@H+]1CCO[C@H]2CCN(c3nc4sccn4c3[N+](=O)[O-])C[C@@H]21 ZINC000284899857 277130117 /nfs/dbraw/zinc/13/01/17/277130117.db2.gz HOWHDNOUOACTJY-UWVGGRQHSA-N 1 0 323.378 1.213 20 5 DDBDRO CN1C[C@H]([NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CCC1=O ZINC000331987380 277204836 /nfs/dbraw/zinc/20/48/36/277204836.db2.gz YWZJAWXTFORIKF-JHJVBQTASA-N 1 0 321.381 1.485 20 5 DDBDRO COc1cc(C(=O)N(C[C@H]2CCC[NH2+]2)C2CC2)ccc1[N+](=O)[O-] ZINC000186487824 277367781 /nfs/dbraw/zinc/36/77/81/277367781.db2.gz ONWTWALUFRDJID-GFCCVEGCSA-N 1 0 319.361 1.960 20 5 DDBDRO C[C@@H]1OCC[C@]1(O)C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000433006684 278064272 /nfs/dbraw/zinc/06/42/72/278064272.db2.gz RGPFFYJQMKLAFU-XFMPKHEZSA-N 1 0 324.381 1.405 20 5 DDBDRO COc1c[nH+]ccc1N1CCN(c2ccncc2[N+](=O)[O-])CC1 ZINC000340881127 278076697 /nfs/dbraw/zinc/07/66/97/278076697.db2.gz UOWALWGESXTDHM-UHFFFAOYSA-N 1 0 315.333 1.720 20 5 DDBDRO CC(=O)c1cc([N+](=O)[O-])ccc1OC[C@H](O)C[N@@H+](C)C1CC1 ZINC000290796301 278244534 /nfs/dbraw/zinc/24/45/34/278244534.db2.gz PBTRBERSGXKIDZ-CYBMUJFWSA-N 1 0 308.334 1.631 20 5 DDBDRO C[C@@H]([NH3+])[C@@H](C)NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000449594003 278310239 /nfs/dbraw/zinc/31/02/39/278310239.db2.gz WRDNPKYSHVGMKX-RKDXNWHRSA-N 1 0 315.757 1.869 20 5 DDBDRO CC(C)C[C@]1(CO)CCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000191666467 279239151 /nfs/dbraw/zinc/23/91/51/279239151.db2.gz OYQCLZHTIPLASC-INIZCTEOSA-N 1 0 323.393 1.630 20 5 DDBDRO CC[N@@H+]1CC[C@@H](N(C)c2nccc(C(N)=O)c2[N+](=O)[O-])C[C@H]1C ZINC000357540308 279398511 /nfs/dbraw/zinc/39/85/11/279398511.db2.gz XBOUCIATZSDQAZ-GHMZBOCLSA-N 1 0 321.381 1.398 20 5 DDBDRO O=C([C@H]1CCC[NH2+]C1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000194285822 280132619 /nfs/dbraw/zinc/13/26/19/280132619.db2.gz CRKAZMIMKBTBSH-ZDUSSCGKSA-N 1 0 318.377 1.243 20 5 DDBDRO Cc1ccc(NC(=O)C(=O)N(C)CCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000121000769 281129758 /nfs/dbraw/zinc/12/97/58/281129758.db2.gz KWNUWQVPIAEKGH-UHFFFAOYSA-N 1 0 322.365 1.252 20 5 DDBDRO COc1cccc(C(=O)N2CC[N@H+](C)CC[C@@H]2C)c1[N+](=O)[O-] ZINC000444270535 295285089 /nfs/dbraw/zinc/28/50/89/295285089.db2.gz RJTVFAQAWGNVMA-NSHDSACASA-N 1 0 307.350 1.770 20 5 DDBDRO C[C@@H]1C[C@@H](C[NH3+])CN1S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000261623981 297250362 /nfs/dbraw/zinc/25/03/62/297250362.db2.gz GUSZINLIMOZGSF-BDAKNGLRSA-N 1 0 317.342 1.092 20 5 DDBDRO C[NH+]1CCC(CCO)(NC(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000354144761 298353565 /nfs/dbraw/zinc/35/35/65/298353565.db2.gz VOFNOADCVKSOLW-UHFFFAOYSA-N 1 0 321.377 1.100 20 5 DDBDRO COc1ccc(CC(=O)NCC2([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000574022708 304627641 /nfs/dbraw/zinc/62/76/41/304627641.db2.gz YGBAUWZSCIWQGF-UHFFFAOYSA-N 1 0 307.350 1.356 20 5 DDBDRO Cc1nn(CCC(=O)N[C@@H]2[C@H](C)CC[NH2+][C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000357292859 299003829 /nfs/dbraw/zinc/00/38/29/299003829.db2.gz GZIPJAHUIFKSCD-GPCCPHFNSA-N 1 0 323.397 1.301 20 5 DDBDRO CN(c1ncccc1[N+](=O)[O-])[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000363063831 300205313 /nfs/dbraw/zinc/20/53/13/300205313.db2.gz MGCJALGHSIOWME-CQSZACIVSA-N 1 0 319.409 1.595 20 5 DDBDRO NC(=O)c1ccc(N2CCC[C@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000363635879 300290665 /nfs/dbraw/zinc/29/06/65/300290665.db2.gz PGSQIYLSAVHODF-ZDUSSCGKSA-N 1 0 318.377 1.758 20 5 DDBDRO Cc1n[nH]c(C2CC[NH+](CCn3cc([N+](=O)[O-])cn3)CC2)n1 ZINC000364018314 300335691 /nfs/dbraw/zinc/33/56/91/300335691.db2.gz OTBZEFSPZUAHSJ-UHFFFAOYSA-N 1 0 305.342 1.097 20 5 DDBDRO COCC[NH2+]C1CCN(Cc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000574577558 304664844 /nfs/dbraw/zinc/66/48/44/304664844.db2.gz BWCQYLKHZSYRNE-UHFFFAOYSA-N 1 0 323.393 1.804 20 5 DDBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3C[C@H](O)C[C@H]3CO)o2)cc1 ZINC000364326036 300376470 /nfs/dbraw/zinc/37/64/70/300376470.db2.gz STXIZYIYLVVILL-UONOGXRCSA-N 1 0 318.329 1.782 20 5 DDBDRO Nc1c(C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000368484771 301038436 /nfs/dbraw/zinc/03/84/36/301038436.db2.gz ZJPVZJSGECIPBZ-MVWJERBFSA-N 1 0 304.350 1.376 20 5 DDBDRO C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2C[C@@H]2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000368497259 301041035 /nfs/dbraw/zinc/04/10/35/301041035.db2.gz XBSQUIIMJXFIBB-FXUDXRNXSA-N 1 0 317.389 1.851 20 5 DDBDRO O=C1CCCN1C[C@H]1CCCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000370000860 301255775 /nfs/dbraw/zinc/25/57/75/301255775.db2.gz FLCWSIYVGUSJGJ-CYBMUJFWSA-N 1 0 321.381 1.268 20 5 DDBDRO Cc1ccc(S(=O)(=O)N2CC[C@H]([C@H](C)[NH3+])C2)c([N+](=O)[O-])c1 ZINC000447252180 301681604 /nfs/dbraw/zinc/68/16/04/301681604.db2.gz ZZWAVEBMKBZOMV-QWRGUYRKSA-N 1 0 313.379 1.261 20 5 DDBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000376408527 302074630 /nfs/dbraw/zinc/07/46/30/302074630.db2.gz OOKQAIKSTXJTIW-ZWNOBZJWSA-N 1 0 319.365 1.271 20 5 DDBDRO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1Nc1ncc([N+](=O)[O-])cn1 ZINC000376928227 302122327 /nfs/dbraw/zinc/12/23/27/302122327.db2.gz YXJKCTPKUCRFLJ-XBFCOCLRSA-N 1 0 321.381 1.686 20 5 DDBDRO CN1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C[C@@H]1c1ccccc1Cl ZINC000377123229 302145879 /nfs/dbraw/zinc/14/58/79/302145879.db2.gz OPKBEFNHOBRNLD-MRVWCRGKSA-N 1 0 323.780 1.820 20 5 DDBDRO CC1(C)CCC[NH2+][C@H]1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000515053397 302763209 /nfs/dbraw/zinc/76/32/09/302763209.db2.gz XUJLEOFQWQRAHU-AWEZNQCLSA-N 1 0 321.377 1.868 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1CN(CC[NH3+])CCc1ccccc1 ZINC000261773492 303018736 /nfs/dbraw/zinc/01/87/36/303018736.db2.gz OHZCMQMOSIWDHN-UHFFFAOYSA-N 1 0 303.366 1.332 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000423989766 303052954 /nfs/dbraw/zinc/05/29/54/303052954.db2.gz BRXXXVSKFRFTPB-LBPRGKRZSA-N 1 0 315.333 1.115 20 5 DDBDRO C[NH+](C)CCC1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000532398700 303285019 /nfs/dbraw/zinc/28/50/19/303285019.db2.gz VSHYXMKXNVFZNW-UHFFFAOYSA-N 1 0 306.366 1.794 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000533226804 303314016 /nfs/dbraw/zinc/31/40/16/303314016.db2.gz MECGHNAZOORVMU-LLVKDONJSA-N 1 0 321.381 1.752 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](C)CC[NH+](C)C ZINC000357638774 306901355 /nfs/dbraw/zinc/90/13/55/306901355.db2.gz MLDSBTALFGXFQQ-NSHDSACASA-N 1 0 315.395 1.522 20 5 DDBDRO CO[C@@H]1CCN(CCOc2ccccc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000359045520 306949830 /nfs/dbraw/zinc/94/98/30/306949830.db2.gz QDZRECIICUCAPU-QWHCGFSZSA-N 1 0 309.366 1.412 20 5 DDBDRO CCCc1n[nH]c(C(=O)N2CC[C@@H]3CC[N@H+](C)[C@H]3C2)c1[N+](=O)[O-] ZINC000362254136 307015767 /nfs/dbraw/zinc/01/57/67/307015767.db2.gz BOCBYPWNTBCYJH-JQWIXIFHSA-N 1 0 321.381 1.437 20 5 DDBDRO Cn1nccc1[C@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000363428796 307027817 /nfs/dbraw/zinc/02/78/17/307027817.db2.gz CRWFOOHRAXBMLC-LBPRGKRZSA-N 1 0 304.354 1.404 20 5 DDBDRO O=C([C@H]1C[NH+]2CCC1CC2)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000365073749 307057823 /nfs/dbraw/zinc/05/78/23/307057823.db2.gz SVSDUWMPIKLCSC-AWEZNQCLSA-N 1 0 301.346 1.826 20 5 DDBDRO [NH3+][C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000368794682 307109913 /nfs/dbraw/zinc/10/99/13/307109913.db2.gz CBKJBIVBVJQCMD-XYYAHUGASA-N 1 0 319.361 1.844 20 5 DDBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@@H]1C[NH+]2CCC1CC2 ZINC000370677514 307132147 /nfs/dbraw/zinc/13/21/47/307132147.db2.gz WZWHOGDRMLWPHN-OAHLLOKOSA-N 1 0 303.362 1.595 20 5 DDBDRO Cc1n[nH]cc1C1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000375347442 307223535 /nfs/dbraw/zinc/22/35/35/307223535.db2.gz DEAVEIYDJQWTED-UHFFFAOYSA-N 1 0 304.354 1.702 20 5 DDBDRO CC[NH+]1CCN(CC(C)(C)Nc2ncc([N+](=O)[O-])c(C)n2)CC1 ZINC000450925757 307306437 /nfs/dbraw/zinc/30/64/37/307306437.db2.gz ZMWQEKXLRUAFGN-UHFFFAOYSA-N 1 0 322.413 1.521 20 5 DDBDRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000557147327 307865284 /nfs/dbraw/zinc/86/52/84/307865284.db2.gz RTGUAGKFRDXHCK-FZMZJTMJSA-N 1 0 322.365 1.271 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CCC2(CO)CC2)c1 ZINC000564977318 308015207 /nfs/dbraw/zinc/01/52/07/308015207.db2.gz ZQECEUOIZUBRTK-ZDUSSCGKSA-N 1 0 310.350 1.087 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@H]2CCC[C@H]2CO)c1 ZINC000564976749 308015348 /nfs/dbraw/zinc/01/53/48/308015348.db2.gz WPCLJNZVEIFGCM-LNSITVRQSA-N 1 0 310.350 1.085 20 5 DDBDRO COc1ccc(CC(=O)N(CC[NH+](C)C)C2CC2)cc1[N+](=O)[O-] ZINC000566580260 308058242 /nfs/dbraw/zinc/05/82/42/308058242.db2.gz MRLNCLQKQSLLDT-UHFFFAOYSA-N 1 0 321.377 1.699 20 5 DDBDRO Cn1nccc1C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000569920416 308154956 /nfs/dbraw/zinc/15/49/56/308154956.db2.gz SIPHUQLVQSKMFF-UHFFFAOYSA-N 1 0 303.322 1.447 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000570449193 308169720 /nfs/dbraw/zinc/16/97/20/308169720.db2.gz OMEDHZUSSCQILM-ZJUUUORDSA-N 1 0 310.354 1.528 20 5 DDBDRO Cc1c(NC(=O)CC[NH2+][C@@H]2C[C@H](O)C2(C)C)cccc1[N+](=O)[O-] ZINC000574287384 308266437 /nfs/dbraw/zinc/26/64/37/308266437.db2.gz DKFSBVPRFJAUIW-KGLIPLIRSA-N 1 0 321.377 1.981 20 5 DDBDRO CCc1ccc(S(=O)(=O)NC[C@@H]([NH3+])CC)cc1[N+](=O)[O-] ZINC000575987695 308285310 /nfs/dbraw/zinc/28/53/10/308285310.db2.gz BTFKTCCHJIIARL-JTQLQIEISA-N 1 0 301.368 1.173 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCCOC2CCCC2)c1 ZINC000581305740 325826920 /nfs/dbraw/zinc/82/69/20/325826920.db2.gz WSANRFJKUCJWBS-ZDUSSCGKSA-N 1 0 312.370 1.091 20 5 DDBDRO CSC1(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000582297164 326006926 /nfs/dbraw/zinc/00/69/26/326006926.db2.gz QTVUDCDZKCPZTK-LBPRGKRZSA-N 1 0 312.391 1.820 20 5 DDBDRO C[C@@H](C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CC(F)(F)F ZINC000396968666 337242687 /nfs/dbraw/zinc/24/26/87/337242687.db2.gz YLOJZKVPWVQLGN-PSASIEDQSA-N 1 0 310.276 1.330 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CC[C@@H]2CCCCO2)c1 ZINC000571672492 484343075 /nfs/dbraw/zinc/34/30/75/484343075.db2.gz ULVDORVXNKEYQF-CABCVRRESA-N 1 0 324.377 1.883 20 5 DDBDRO COC(=O)c1cc(C(=O)N2CCCC[C@H]2C[NH3+])cc([N+](=O)[O-])c1 ZINC000422758184 533722529 /nfs/dbraw/zinc/72/25/29/533722529.db2.gz JDQLVZPENMCWTB-LBPRGKRZSA-N 1 0 321.333 1.335 20 5 DDBDRO C[C@@H](C[NH+](C)C)NC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000451753158 533736600 /nfs/dbraw/zinc/73/66/00/533736600.db2.gz AGXIDZXQFAPEPQ-NSHDSACASA-N 1 0 317.349 1.460 20 5 DDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCNS(C)(=O)=O ZINC000453087215 534254188 /nfs/dbraw/zinc/25/41/88/534254188.db2.gz YPKXGPDEPICCPJ-NSHDSACASA-N 1 0 315.395 1.055 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCC[C@H](C)[NH3+] ZINC000415368265 534319730 /nfs/dbraw/zinc/31/97/30/534319730.db2.gz ABEYAVAHITUCAX-VIFPVBQESA-N 1 0 308.338 1.004 20 5 DDBDRO CCCC[C@H]([NH3+])C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000154584444 521204443 /nfs/dbraw/zinc/20/44/43/521204443.db2.gz RPQBQYRNKOKQCC-YPMHNXCESA-N 1 0 321.381 1.520 20 5 DDBDRO [NH3+]C[C@H]1CCCN(C(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000297363200 534689293 /nfs/dbraw/zinc/68/92/93/534689293.db2.gz KSWYOYBLCLYPET-GFCCVEGCSA-N 1 0 306.366 1.594 20 5 DDBDRO [NH3+][C@@H]1CCCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000158221140 527347097 /nfs/dbraw/zinc/34/70/97/527347097.db2.gz ADPVZMUCAJCOMN-LLVKDONJSA-N 1 0 315.333 1.344 20 5 DDBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](O)Cn1ccnn1 ZINC000459727645 527528562 /nfs/dbraw/zinc/52/85/62/527528562.db2.gz ZAGQDPGXEJSRBT-BLMSOEDDSA-N 1 0 317.349 1.240 20 5 DDBDRO CC[NH2+][C@H](C)CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000418617055 528404218 /nfs/dbraw/zinc/40/42/18/528404218.db2.gz ZBJASSQCILPTAL-LLVKDONJSA-N 1 0 306.366 1.661 20 5 DDBDRO CC(C)[C@H]([NH3+])CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000429139447 529067316 /nfs/dbraw/zinc/06/73/16/529067316.db2.gz HGQDVPOBZMFOOB-CYBMUJFWSA-N 1 0 317.349 1.494 20 5 DDBDRO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000424045367 529130765 /nfs/dbraw/zinc/13/07/65/529130765.db2.gz TVGOWPXKOAPHTE-ZDUSSCGKSA-N 1 0 306.366 1.773 20 5 DDBDRO C[NH+](C)[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000736757883 598506421 /nfs/dbraw/zinc/50/64/21/598506421.db2.gz YSUKUZABAWHMEV-LLVKDONJSA-N 1 0 317.353 1.305 20 5 DDBDRO C[C@@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC[N@@H+]1C ZINC000820665053 599590683 /nfs/dbraw/zinc/59/06/83/599590683.db2.gz DLEOMGJHWNNZIY-BDAKNGLRSA-N 1 0 318.341 1.065 20 5 DDBDRO C[C@H]1C[C@H](Nc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC[N@@H+]1C ZINC000820669006 606711823 /nfs/dbraw/zinc/71/18/23/606711823.db2.gz YKKPZWLSYHOSIN-DTWKUNHWSA-N 1 0 318.341 1.065 20 5 DDBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1c1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000824992258 608554793 /nfs/dbraw/zinc/55/47/93/608554793.db2.gz LDGWTFLUANGXPZ-NXEZZACHSA-N 1 0 317.353 1.304 20 5 DDBDRO CNC(=O)[C@@]1(C)CC[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000797418618 700008906 /nfs/dbraw/zinc/00/89/06/700008906.db2.gz ZNJLTDIICDCOIZ-HNNXBMFYSA-N 1 0 317.349 1.360 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]C[C@H]1C[C@H](NC(=O)C2CCC2)C1 ZINC000982963052 697196094 /nfs/dbraw/zinc/19/60/94/697196094.db2.gz AMOOMWYMIRPKPS-UMSPYCQHSA-N 1 0 321.381 1.113 20 5 DDBDRO C[NH+](C)C[C@@H]1CCN(Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000172507802 697368748 /nfs/dbraw/zinc/36/87/48/697368748.db2.gz MDHREZOZFXZBMZ-LBPRGKRZSA-N 1 0 303.366 1.786 20 5 DDBDRO CC[N@@H+]1CC[C@@H](CNC(=O)c2cc(C)cc([N+](=O)[O-])c2N)C1 ZINC000175317594 697396029 /nfs/dbraw/zinc/39/60/29/697396029.db2.gz AYVYSOPCWRDMPW-NSHDSACASA-N 1 0 306.366 1.557 20 5 DDBDRO C[NH+]1CCC(ONC(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000773550366 697778753 /nfs/dbraw/zinc/77/87/53/697778753.db2.gz DHJAHDFZNOSOJD-UHFFFAOYSA-N 1 0 322.365 1.539 20 5 DDBDRO CCO[C@@H]1COCC[C@@H]1[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776489103 698110731 /nfs/dbraw/zinc/11/07/31/698110731.db2.gz YQPQKKYKHPNWMO-SOUVJXGZSA-N 1 0 310.350 1.412 20 5 DDBDRO CC(=O)NC1CC[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776579948 698120473 /nfs/dbraw/zinc/12/04/73/698120473.db2.gz PYEQQQXHJPRBPW-OAHLLOKOSA-N 1 0 307.350 1.229 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH+]2CCC(C3OCCO3)CC2)cc1 ZINC000776581083 698121035 /nfs/dbraw/zinc/12/10/35/698121035.db2.gz DXXABDXEWJTKCG-OAHLLOKOSA-N 1 0 322.361 1.713 20 5 DDBDRO CNC(=O)CC1CC[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776592009 698123705 /nfs/dbraw/zinc/12/37/05/698123705.db2.gz OGLCQLYHLIOZFE-OAHLLOKOSA-N 1 0 321.377 1.476 20 5 DDBDRO CO[C@H]1CN(Cn2nc(C)c3cc([N+](=O)[O-])cnc32)CC[C@H]1C ZINC000783969075 698896343 /nfs/dbraw/zinc/89/63/43/698896343.db2.gz RYPGQAHNVPSBMJ-YGRLFVJLSA-N 1 0 319.365 1.962 20 5 DDBDRO CC(C)([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)C1CCOCC1 ZINC000786168866 699130983 /nfs/dbraw/zinc/13/09/83/699130983.db2.gz GJCLOSWSVCLPJV-UHFFFAOYSA-N 1 0 309.366 1.551 20 5 DDBDRO COCC[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCOC1 ZINC000786190886 699133245 /nfs/dbraw/zinc/13/32/45/699133245.db2.gz OOXHKPMGVAPKSV-GJZGRUSLSA-N 1 0 310.350 1.366 20 5 DDBDRO O=[N+]([O-])c1ccc(C[NH2+]CCC2CS(=O)(=O)C2)cc1Cl ZINC000787417050 699211076 /nfs/dbraw/zinc/21/10/76/699211076.db2.gz ICWLFZMIUYHEGR-UHFFFAOYSA-N 1 0 318.782 1.773 20 5 DDBDRO COC(=O)c1cnc(N2CCC[C@@H](C[NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000790102073 699442905 /nfs/dbraw/zinc/44/29/05/699442905.db2.gz VXKVWFVZXQTDDE-NSHDSACASA-N 1 0 322.365 1.554 20 5 DDBDRO C[N@H+](CCc1ccccc1F)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000743849639 699928527 /nfs/dbraw/zinc/92/85/27/699928527.db2.gz YAPFSZUWGODOAL-AWEZNQCLSA-N 1 0 322.340 1.466 20 5 DDBDRO CCCN(CC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000801878132 700349802 /nfs/dbraw/zinc/34/98/02/700349802.db2.gz DUPCENWOCUZLOZ-UHFFFAOYSA-N 1 0 312.345 1.730 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)O[C@@H]1CCN(CCF)C1 ZINC000802244810 700389950 /nfs/dbraw/zinc/38/99/50/700389950.db2.gz UMIGFNMANCEFHH-LLVKDONJSA-N 1 0 312.297 1.804 20 5 DDBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000758332464 700699152 /nfs/dbraw/zinc/69/91/52/700699152.db2.gz BJFDNSBOFSVNLQ-ZANVPECISA-N 1 0 307.325 1.946 20 5 DDBDRO Cc1cc(C(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)c(N)c([N+](=O)[O-])c1 ZINC000758336338 700699586 /nfs/dbraw/zinc/69/95/86/700699586.db2.gz PVEFHNWFDPSHDM-MFKMUULPSA-N 1 0 318.377 1.698 20 5 DDBDRO C[NH+]1CCC2(CCN2C(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000759095427 700737059 /nfs/dbraw/zinc/73/70/59/700737059.db2.gz RSUYKDLHKSRSOM-UHFFFAOYSA-N 1 0 304.350 1.487 20 5 DDBDRO C[N@@H+]1CC[C@@](O)(CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000762817731 700908504 /nfs/dbraw/zinc/90/85/04/700908504.db2.gz KAPANDQTRBKPAG-CYBMUJFWSA-N 1 0 313.741 1.045 20 5 DDBDRO CC1CC[NH+](C[C@H]2CCCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1 ZINC000839612879 701754477 /nfs/dbraw/zinc/75/44/77/701754477.db2.gz SKMBJLXENRHXNE-RBSFLKMASA-N 1 0 309.410 1.622 20 5 DDBDRO C[C@H]([NH2+][C@@H]1CC(=O)N(C2CC2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815594887 701901920 /nfs/dbraw/zinc/90/19/20/701901920.db2.gz AYSMIFFJSBSHFP-GXSJLCMTSA-N 1 0 304.350 1.591 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC000812328263 702152451 /nfs/dbraw/zinc/15/24/51/702152451.db2.gz BTTGNQHOMKZHQJ-PWSUYJOCSA-N 1 0 307.325 1.758 20 5 DDBDRO CO[C@@H]1CC[C@@H](C)[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000879320870 706648608 /nfs/dbraw/zinc/64/86/08/706648608.db2.gz JSHBEQYEORECAY-HZSPNIEDSA-N 1 0 324.377 1.834 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC000816953656 702237393 /nfs/dbraw/zinc/23/73/93/702237393.db2.gz LOOSPBQXZXQKGV-NHYWBVRUSA-N 1 0 318.377 1.437 20 5 DDBDRO COC[C@](C)(O)C[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866266208 706661351 /nfs/dbraw/zinc/66/13/51/706661351.db2.gz XXFMIJSHPHTMFJ-IINYFYTJSA-N 1 0 300.330 1.652 20 5 DDBDRO CC(C)(C[NH3+])NC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000841172017 702376415 /nfs/dbraw/zinc/37/64/15/702376415.db2.gz XLAFOEZFXAOEHT-UHFFFAOYSA-N 1 0 314.729 1.040 20 5 DDBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H](C)C(=O)NCCF ZINC000866355077 706680068 /nfs/dbraw/zinc/68/00/68/706680068.db2.gz SWGFUQRAOHSBGO-NXEZZACHSA-N 1 0 315.320 1.729 20 5 DDBDRO CC[C@@H]1CN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000869312191 702564474 /nfs/dbraw/zinc/56/44/74/702564474.db2.gz PGINRRAVZRAWDA-CMPLNLGQSA-N 1 0 309.341 1.875 20 5 DDBDRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000842160837 702678370 /nfs/dbraw/zinc/67/83/70/702678370.db2.gz AJMTWPHLFCHMIR-RYUDHWBXSA-N 1 0 311.357 1.621 20 5 DDBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)CC[NH3+] ZINC000842791824 702774444 /nfs/dbraw/zinc/77/44/44/702774444.db2.gz YCFQKIOMBOBWRC-QMMMGPOBSA-N 1 0 321.786 1.572 20 5 DDBDRO [NH3+]C1CC2(C1)CC(NS(=O)(=O)c1cccc([N+](=O)[O-])c1)C2 ZINC000842797882 702775636 /nfs/dbraw/zinc/77/56/36/702775636.db2.gz OTGSKCQLZGANRR-UHFFFAOYSA-N 1 0 311.363 1.143 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCSCCCO)c1 ZINC000843072979 702813562 /nfs/dbraw/zinc/81/35/62/702813562.db2.gz JCZVQZOVMUHQOJ-ZDUSSCGKSA-N 1 0 300.380 1.333 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@@H]2CCCN2CCCO)cc1 ZINC000843086739 702816106 /nfs/dbraw/zinc/81/61/06/702816106.db2.gz HUUDLVPJKIQTBT-HOTGVXAUSA-N 1 0 323.393 1.065 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@H](O)c2ccccn2)cc1 ZINC000843096796 702818359 /nfs/dbraw/zinc/81/83/59/702818359.db2.gz VCJHHXXQZZVSNR-GJZGRUSLSA-N 1 0 303.318 1.346 20 5 DDBDRO Cc1ccc(-c2noc(C[C@@H]3C[NH2+]CCO3)n2)cc1[N+](=O)[O-] ZINC000843178437 702834591 /nfs/dbraw/zinc/83/45/91/702834591.db2.gz DADPPTXMJNPCEE-LLVKDONJSA-N 1 0 304.306 1.484 20 5 DDBDRO C[NH2+]C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)C1 ZINC000843339552 702862607 /nfs/dbraw/zinc/86/26/07/702862607.db2.gz UABMUHGCJRMOSA-JTQLQIEISA-N 1 0 322.321 1.493 20 5 DDBDRO Cc1c(C(=O)N[C@H](C)C[C@H](C)[NH3+])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000843503037 702895873 /nfs/dbraw/zinc/89/58/73/702895873.db2.gz IUTKCCKBDTUADU-JGVFFNPUSA-N 1 0 310.310 1.667 20 5 DDBDRO CCCN(C(=O)c1cc([N+](=O)[O-])ccc1N)[C@@H]1CC[N@H+](C)C1 ZINC000843990489 702949783 /nfs/dbraw/zinc/94/97/83/702949783.db2.gz UJIAOJWEFMDGRR-GFCCVEGCSA-N 1 0 306.366 1.733 20 5 DDBDRO C[N@@H+]1CC[C@H]2CN(CCOc3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000879571283 706722332 /nfs/dbraw/zinc/72/23/32/706722332.db2.gz OSLBIFPAFTZLEK-KBPBESRZSA-N 1 0 305.378 2.000 20 5 DDBDRO O=C1CC[C@@H]([N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C(=O)N1 ZINC000831538568 706728107 /nfs/dbraw/zinc/72/81/07/706728107.db2.gz FEQNXDSZNFNWOX-GXTWGEPZSA-N 1 0 317.345 1.579 20 5 DDBDRO C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CN1C1CC1 ZINC000819143952 704075564 /nfs/dbraw/zinc/07/55/64/704075564.db2.gz RLQOLPUWMNLYPX-AXAPSJFSSA-N 1 0 305.378 1.843 20 5 DDBDRO C[C@H](CO[C@H]1CCOC1)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819147457 704076111 /nfs/dbraw/zinc/07/61/11/704076111.db2.gz HVXJGPHHFIWZOQ-UGFHNGPFSA-N 1 0 310.350 1.412 20 5 DDBDRO CO[C@@H]1COCC[C@@H]1C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819343724 704110682 /nfs/dbraw/zinc/11/06/82/704110682.db2.gz ATTXPRDJYJFKOI-BPLDGKMQSA-N 1 0 310.350 1.269 20 5 DDBDRO COc1ccc(CNC(=O)CCC23CC(C2)C[NH2+]3)cc1[N+](=O)[O-] ZINC000870871082 704151662 /nfs/dbraw/zinc/15/16/62/704151662.db2.gz VQCMJPXLFBDDIA-UHFFFAOYSA-N 1 0 319.361 1.752 20 5 DDBDRO Cc1cccc(C[N@@H+]2CC[C@@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c1 ZINC000870908891 704163806 /nfs/dbraw/zinc/16/38/06/704163806.db2.gz CFRAHKUJSOTBNE-RBSFLKMASA-N 1 0 303.362 1.351 20 5 DDBDRO C[C@]([NH3+])(C(=O)NCC[C@@H]1CC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000870959100 704182044 /nfs/dbraw/zinc/18/20/44/704182044.db2.gz TYKXAXYRIAVTBB-ZWNOBZJWSA-N 1 0 313.304 1.930 20 5 DDBDRO O=[N+]([O-])c1ccc(Cc2noc(CC[C@@H]3CCC[NH2+]C3)n2)nc1 ZINC000857254353 704570645 /nfs/dbraw/zinc/57/06/45/704570645.db2.gz AOKUCZZFQWKUFO-NSHDSACASA-N 1 0 317.349 1.896 20 5 DDBDRO O=C(NC[C@@H]1CCC[NH2+]1)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857764085 704621605 /nfs/dbraw/zinc/62/16/05/704621605.db2.gz HMTILILVNNFYMO-VIFPVBQESA-N 1 0 315.276 1.435 20 5 DDBDRO CN(CCC[NH3+])C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857764838 704621971 /nfs/dbraw/zinc/62/19/71/704621971.db2.gz BRWSNPLCKISTCZ-UHFFFAOYSA-N 1 0 303.265 1.374 20 5 DDBDRO CC[C@H]([NH3+])CNC(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857765065 704622064 /nfs/dbraw/zinc/62/20/64/704622064.db2.gz KAIXXDJOZUOZLH-QMMMGPOBSA-N 1 0 303.265 1.420 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3CCOC[C@H]3O)CC2)cc1 ZINC000858552310 704726315 /nfs/dbraw/zinc/72/63/15/704726315.db2.gz FTHAQFSMZPPEQU-HZPDHXFCSA-N 1 0 321.377 1.303 20 5 DDBDRO COc1ccc(OCC[N@@H+]2[C@@H](C)CC[C@H]2CO)c([N+](=O)[O-])c1 ZINC000880438933 706977015 /nfs/dbraw/zinc/97/70/15/706977015.db2.gz FGFWJJPFGLPOGG-RYUDHWBXSA-N 1 0 310.350 1.827 20 5 DDBDRO O=C(NC[C@H]1COCC[NH2+]1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000859615082 704951652 /nfs/dbraw/zinc/95/16/52/704951652.db2.gz FAIZQUFTRFBLQY-VIFPVBQESA-N 1 0 314.729 1.358 20 5 DDBDRO CSc1ccc(-c2nc(N3CC[NH2+]CC3)no2)cc1[N+](=O)[O-] ZINC000823330081 705209593 /nfs/dbraw/zinc/20/95/93/705209593.db2.gz JMNGMISQHQIFRA-UHFFFAOYSA-N 1 0 321.362 1.776 20 5 DDBDRO COCC[N@@H+]1CCC[C@H]1COC(=O)c1cc([N+](=O)[O-])cn1C ZINC000861033242 705354032 /nfs/dbraw/zinc/35/40/32/705354032.db2.gz HXFPRAIIOSWQIR-NSHDSACASA-N 1 0 311.338 1.201 20 5 DDBDRO O=C([C@@H](O)c1cccc([N+](=O)[O-])c1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000825615258 705703449 /nfs/dbraw/zinc/70/34/49/705703449.db2.gz ORRXPRDLMPYAJL-GJZGRUSLSA-N 1 0 319.361 1.325 20 5 DDBDRO CCOC(=O)Cc1ccc(N(C)CC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000825803280 705732764 /nfs/dbraw/zinc/73/27/64/705732764.db2.gz RQSCLYNITIAMKG-UHFFFAOYSA-N 1 0 309.366 1.698 20 5 DDBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876702794 705827068 /nfs/dbraw/zinc/82/70/68/705827068.db2.gz FHMXUKWPOWIDKE-PRHODGIISA-N 1 0 315.732 1.812 20 5 DDBDRO CCC[N@H+](CC)CCNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000826757504 705866573 /nfs/dbraw/zinc/86/65/73/705866573.db2.gz DKJNGCUYPKALHN-CQSZACIVSA-N 1 0 309.366 1.476 20 5 DDBDRO C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000876889903 705910367 /nfs/dbraw/zinc/91/03/67/705910367.db2.gz QVEVPQMCURWYPL-BDSSXFGHSA-N 1 0 303.362 1.931 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)C[C@H](C)[NH3+] ZINC000863566929 705959525 /nfs/dbraw/zinc/95/95/25/705959525.db2.gz AMVPQCOMOPBVGS-JTQLQIEISA-N 1 0 310.354 1.211 20 5 DDBDRO CC1(C)[C@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)[C@@H]2CCO[C@@H]21 ZINC000877058970 705974258 /nfs/dbraw/zinc/97/42/58/705974258.db2.gz HYLMAOQJCOBWRV-AADCXKMSSA-N 1 0 306.366 1.898 20 5 DDBDRO COC[C@@H](O)C[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000877505123 706125921 /nfs/dbraw/zinc/12/59/21/706125921.db2.gz QPKZOAKWUWLOJO-JTQLQIEISA-N 1 0 308.256 1.711 20 5 DDBDRO C[C@@H]1C[C@@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)c2nccn21 ZINC000877570806 706145969 /nfs/dbraw/zinc/14/59/69/706145969.db2.gz TUUUUZVJKXNAAM-ZUYNKMSQSA-N 1 0 302.338 1.987 20 5 DDBDRO C[C@@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)[C@H](O)C(F)(F)F ZINC000877693122 706180913 /nfs/dbraw/zinc/18/09/13/706180913.db2.gz BTYRCMQSQZRJPI-NSDNXHHOSA-N 1 0 308.260 1.396 20 5 DDBDRO C[C@H](NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)C1=CC[N@H+](C)CC1 ZINC000828905413 706253391 /nfs/dbraw/zinc/25/33/91/706253391.db2.gz WPIPNMOQBOVGAA-NHYWBVRUSA-N 1 0 319.361 1.395 20 5 DDBDRO C[NH+](C)C[C@]1(O)CCCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000878868108 706520085 /nfs/dbraw/zinc/52/00/85/706520085.db2.gz LJWFBBHSXYSQQC-HZPDHXFCSA-N 1 0 323.393 1.017 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1OS(=O)(=O)CC1([NH+](C)C)CC1 ZINC000867011629 706871682 /nfs/dbraw/zinc/87/16/82/706871682.db2.gz TZZOADZOYCCDHW-UHFFFAOYSA-N 1 0 314.363 1.706 20 5 DDBDRO C[C@@H]1CN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CC[C@@H]1[NH3+] ZINC000832736750 706972597 /nfs/dbraw/zinc/97/25/97/706972597.db2.gz BDGDIMJOQJDPLC-MFKMUULPSA-N 1 0 317.349 1.140 20 5 DDBDRO CC[N@H+]1[C@H](C)CN(C(=O)Cn2cc([N+](=O)[O-])nc2C)C[C@@H]1C ZINC000880608645 707038762 /nfs/dbraw/zinc/03/87/62/707038762.db2.gz GOXPCEDEVWAEAJ-PHIMTYICSA-N 1 0 309.370 1.041 20 5 DDBDRO [NH3+][C@H]1CCC[C@H](NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000834594393 707091587 /nfs/dbraw/zinc/09/15/87/707091587.db2.gz SUHAJGFAOLASTF-RYUDHWBXSA-N 1 0 317.349 1.331 20 5 DDBDRO COC[C@@H](C)OC[C@H](O)C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000872249513 707348499 /nfs/dbraw/zinc/34/84/99/707348499.db2.gz WKHUCHBOKGRWHE-FRRDWIJNSA-N 1 0 312.366 1.658 20 5 DDBDRO O=[N+]([O-])c1c(F)nccc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000882059360 707481730 /nfs/dbraw/zinc/48/17/30/707481730.db2.gz JBJNGYMHYLVUPX-LLVKDONJSA-N 1 0 310.329 1.287 20 5 DDBDRO CN(CCC[NH+](C)C)c1ccc([N+](=O)[O-])cc1C(=O)NC1CC1 ZINC000882162163 707522091 /nfs/dbraw/zinc/52/20/91/707522091.db2.gz OPQKHMRTJRVJRT-UHFFFAOYSA-N 1 0 320.393 1.875 20 5 DDBDRO COCCN(CC1CC[NH+](C)CC1)Cn1nccc1[N+](=O)[O-] ZINC000872632230 707523867 /nfs/dbraw/zinc/52/38/67/707523867.db2.gz WCEQMQQQNSUTNR-UHFFFAOYSA-N 1 0 311.386 1.039 20 5 DDBDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000837188360 707594475 /nfs/dbraw/zinc/59/44/75/707594475.db2.gz DYPQRCQZBDTDOS-SNVBAGLBSA-N 1 0 324.356 1.871 20 5 DDBDRO COCCO[C@H]1COCC[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000873109519 707734144 /nfs/dbraw/zinc/73/41/44/707734144.db2.gz VPKLWDDCLYOHNK-ZBFHGGJFSA-N 1 0 324.377 1.813 20 5 DDBDRO CC1(C)C[NH2+]C[C@H]1C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000884059670 708121721 /nfs/dbraw/zinc/12/17/21/708121721.db2.gz AXMLUEKPQVKXBC-NSHDSACASA-N 1 0 306.366 1.369 20 5 DDBDRO C[N@H+](CCO)CCNc1ccc(C(F)(F)F)c([N+](=O)[O-])c1 ZINC000884825463 708388347 /nfs/dbraw/zinc/38/83/47/708388347.db2.gz YFYJCVVDASXRQD-UHFFFAOYSA-N 1 0 307.272 1.950 20 5 DDBDRO CN(CC[N@H+](C)CCO)C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000912610349 713048958 /nfs/dbraw/zinc/04/89/58/713048958.db2.gz KZKSBVIPCRVSMJ-UHFFFAOYSA-N 1 0 315.757 1.244 20 5 DDBDRO CC(=Cc1cccc([N+](=O)[O-])c1)C[NH2+]CCN1CCNC1=O ZINC000886323868 708743160 /nfs/dbraw/zinc/74/31/60/708743160.db2.gz NWKJWHACZCDYSJ-XFXZXTDPSA-N 1 0 304.350 1.613 20 5 DDBDRO COc1ccc(CC(=O)N2CC([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000898609952 708810263 /nfs/dbraw/zinc/81/02/63/708810263.db2.gz HIYNVWQNQISRMJ-UHFFFAOYSA-N 1 0 319.361 1.453 20 5 DDBDRO O=C1NCCN1CC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000886742929 708832364 /nfs/dbraw/zinc/83/23/64/708832364.db2.gz OUYWFXXYDPJCBY-AWEZNQCLSA-N 1 0 318.377 1.531 20 5 DDBDRO CCN(CC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@H]1CC[NH2+]C1 ZINC000886858300 708867057 /nfs/dbraw/zinc/86/70/57/708867057.db2.gz VOAVGINVCRZXMO-ZDUSSCGKSA-N 1 0 306.366 1.526 20 5 DDBDRO CNC(=O)C1([NH2+]CCc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000887086402 708951705 /nfs/dbraw/zinc/95/17/05/708951705.db2.gz KBOIRIGIORREPL-UHFFFAOYSA-N 1 0 307.350 1.022 20 5 DDBDRO CCc1n[nH]c(C(=O)N2CCC23CC[NH+](C)CC3)c1[N+](=O)[O-] ZINC000889224801 709464283 /nfs/dbraw/zinc/46/42/83/709464283.db2.gz WORKIKDZNCUXEJ-UHFFFAOYSA-N 1 0 307.354 1.191 20 5 DDBDRO C[C@@H](NC(=O)C[C@@]1(O)CCC[N@H+](C)C1)c1ccccc1[N+](=O)[O-] ZINC000901328966 710011573 /nfs/dbraw/zinc/01/15/73/710011573.db2.gz JVNSWJRBOHIIPU-WBMJQRKESA-N 1 0 321.377 1.619 20 5 DDBDRO CCN(C(=O)NCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[NH2+]C1 ZINC000891409256 710189725 /nfs/dbraw/zinc/18/97/25/710189725.db2.gz GFSBRXSVCHIFGH-CQSZACIVSA-N 1 0 306.366 1.531 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1NCC1(N2CCOCC2)CCCCC1 ZINC000891487119 710216478 /nfs/dbraw/zinc/21/64/78/710216478.db2.gz SOJFCLOFWTXJLV-UHFFFAOYSA-N 1 0 323.397 1.775 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000891814815 710301330 /nfs/dbraw/zinc/30/13/30/710301330.db2.gz JKWXGQVKFMGXKB-GFCCVEGCSA-N 1 0 309.370 1.384 20 5 DDBDRO Cc1ccc(CNC(=O)N[C@@H]2CC[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC000892091365 710370029 /nfs/dbraw/zinc/37/00/29/710370029.db2.gz FMSMWNILOMFQEE-DGCLKSJQSA-N 1 0 306.366 1.700 20 5 DDBDRO Cc1ccc(CNC(=O)N[C@H]2CC[NH2+]C23CCC3)cc1[N+](=O)[O-] ZINC000892274471 710408300 /nfs/dbraw/zinc/40/83/00/710408300.db2.gz SETXXRKNXMTLII-AWEZNQCLSA-N 1 0 318.377 1.987 20 5 DDBDRO Cc1ccc(CNC(=O)N[C@]23CCC[C@@H]2[NH2+]CC3)cc1[N+](=O)[O-] ZINC000892536468 710453799 /nfs/dbraw/zinc/45/37/99/710453799.db2.gz DUXJCGUWXYSFTP-HOCLYGCPSA-N 1 0 318.377 1.987 20 5 DDBDRO Cc1ccc(CNC(=O)N2CC[NH2+][C@@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000892537243 710454158 /nfs/dbraw/zinc/45/41/58/710454158.db2.gz QGMSIZZBLVEYDN-RYUDHWBXSA-N 1 0 306.366 1.795 20 5 DDBDRO C[C@H]1[C@@H](NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC[N@@H+]1C ZINC000928439693 713196233 /nfs/dbraw/zinc/19/62/33/713196233.db2.gz JVQKRKDKVNHQOG-ONGXEEELSA-N 1 0 302.334 1.899 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1C ZINC000928438953 713196501 /nfs/dbraw/zinc/19/65/01/713196501.db2.gz VFZNLKJHLJPXBT-MNOVXSKESA-N 1 0 307.350 1.816 20 5 DDBDRO C[C@H]1[C@@H](NC(=O)CSc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000928452780 713203475 /nfs/dbraw/zinc/20/34/75/713203475.db2.gz JKDBAAREQHFQDM-GWCFXTLKSA-N 1 0 309.391 1.896 20 5 DDBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@H]1C[NH2+]CC1(C)C ZINC000902446349 710756999 /nfs/dbraw/zinc/75/69/99/710756999.db2.gz OGVQTRVYHKYBEY-RISCZKNCSA-N 1 0 320.393 1.900 20 5 DDBDRO C[NH+](C)C1(C)CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000913399101 713208415 /nfs/dbraw/zinc/20/84/15/713208415.db2.gz RYHUWDDVAQISSZ-UHFFFAOYSA-N 1 0 309.370 1.124 20 5 DDBDRO COc1cc([C@H](C)[NH2+]C[C@@]2(C)CCC(=O)N2)cc([N+](=O)[O-])c1 ZINC000903183442 711057497 /nfs/dbraw/zinc/05/74/97/711057497.db2.gz ONIQFVCFKANMNF-ZUZCIYMTSA-N 1 0 307.350 1.923 20 5 DDBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1COC[C@@H]1C ZINC000903399752 711114444 /nfs/dbraw/zinc/11/44/44/711114444.db2.gz JIRJZGYPYBTWIN-MISXGVKJSA-N 1 0 307.350 1.936 20 5 DDBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1COC[C@@H]1C ZINC000903399754 711114609 /nfs/dbraw/zinc/11/46/09/711114609.db2.gz JIRJZGYPYBTWIN-WDMOLILDSA-N 1 0 307.350 1.936 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H]1CC[NH2+]C12CCC2 ZINC000903465540 711134710 /nfs/dbraw/zinc/13/47/10/711134710.db2.gz JUCCEVVFUOCVSO-CQSZACIVSA-N 1 0 318.377 1.716 20 5 DDBDRO C[NH+]1CCC(CN2CC(Oc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000894836782 711291348 /nfs/dbraw/zinc/29/13/48/711291348.db2.gz QMGFZKITBIRMTR-UHFFFAOYSA-N 1 0 305.378 2.000 20 5 DDBDRO CN1CCN(c2ccc([N+](=O)[O-])cc2C(F)F)C[C@@H]1CO ZINC000894881094 711307044 /nfs/dbraw/zinc/30/70/44/711307044.db2.gz IRAHLWBGJMNFCI-SNVBAGLBSA-N 1 0 301.293 1.645 20 5 DDBDRO [NH3+][C@H](CC(F)F)CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000903872848 711311352 /nfs/dbraw/zinc/31/13/52/711311352.db2.gz KFCYMTHYLMUYDP-LLVKDONJSA-N 1 0 314.336 1.699 20 5 DDBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[NH+](CCCCCO)CC1 ZINC000894963868 711341700 /nfs/dbraw/zinc/34/17/00/711341700.db2.gz DJSJKYTZVDWZDV-UHFFFAOYSA-N 1 0 308.382 1.583 20 5 DDBDRO C[NH+](C)C[C@]1(O)CCN(c2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000895009484 711364767 /nfs/dbraw/zinc/36/47/67/711364767.db2.gz AKGVFHFRVJVXKO-OAHLLOKOSA-N 1 0 317.349 1.041 20 5 DDBDRO COc1c(O)ccc(C[N@@H+]2CC[C@@H](C)[C@@H](CO)C2)c1[N+](=O)[O-] ZINC000895515984 711531284 /nfs/dbraw/zinc/53/12/84/711531284.db2.gz YRQDJJSKZNFNFG-ZYHUDNBSSA-N 1 0 310.350 1.759 20 5 DDBDRO COc1cc([N+](=O)[O-])cnc1NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000896526578 711738928 /nfs/dbraw/zinc/73/89/28/711738928.db2.gz YZMAVFPNUNNRKB-LBPRGKRZSA-N 1 0 322.365 1.664 20 5 DDBDRO CCN1CC[C@H]1C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000905440803 712038158 /nfs/dbraw/zinc/03/81/58/712038158.db2.gz HARHDTMXQAKIGG-LBPRGKRZSA-N 1 0 306.366 1.607 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1[C@H](C)C[N@H+](C)[C@@H](C)[C@@H]1C ZINC000905984566 712209610 /nfs/dbraw/zinc/20/96/10/712209610.db2.gz NCNNTYGLVNKZES-VWYCJHECSA-N 1 0 309.370 1.039 20 5 DDBDRO C[C@@H]1CC[C@H](C(N)=O)[C@H](C)[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000930914215 713957143 /nfs/dbraw/zinc/95/71/43/713957143.db2.gz GWZRQAHPYKHLRD-AGIUHOORSA-N 1 0 321.377 1.948 20 5 DDBDRO C[C@H]1COC[C@@H]1[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000932491716 714344958 /nfs/dbraw/zinc/34/49/58/714344958.db2.gz LUEUGPAFWVRCBT-ZANVPECISA-N 1 0 311.313 1.687 20 5 DDBDRO C[C@@H]1COC[C@@H]1[NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000932493318 714345859 /nfs/dbraw/zinc/34/58/59/714345859.db2.gz DXRNDSHXNVUCPX-KCJUWKMLSA-N 1 0 313.741 1.811 20 5 DDBDRO C[NH2+]C[C@@H]1CCCCN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000923430226 714353657 /nfs/dbraw/zinc/35/36/57/714353657.db2.gz JLSPQXNSHHQMSA-GJZGRUSLSA-N 1 0 323.393 1.408 20 5 DDBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Cn2c(C)ncc2[N+](=O)[O-])C[C@@H]1C ZINC000933372681 714574921 /nfs/dbraw/zinc/57/49/21/714574921.db2.gz UPNUBXYBWPCHSM-AAEUAGOBSA-N 1 0 323.397 1.431 20 5 DDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[C@H]2C[N@@H+](CCC3CC3)C[C@H]2CC1 ZINC000946589317 718844460 /nfs/dbraw/zinc/84/44/60/718844460.db2.gz RPLSFRVCMCMDPP-QKPAOTATSA-N 1 0 321.421 1.622 20 5 DDBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC001164643440 719218083 /nfs/dbraw/zinc/21/80/83/719218083.db2.gz YVJKPLLLUMSRBP-GHMZBOCLSA-N 1 0 322.365 1.695 20 5 DDBDRO COc1cc(-n2ccnc2[C@H]2CCC[NH2+]C2)ncc1[N+](=O)[O-] ZINC001167054197 732349449 /nfs/dbraw/zinc/34/94/49/732349449.db2.gz CFKQNUQSPUJSSZ-JTQLQIEISA-N 1 0 303.322 1.651 20 5 DDBDRO O=C(/C=C\c1ccc[nH]1)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001126238621 738744053 /nfs/dbraw/zinc/74/40/53/738744053.db2.gz NWFKMXKHWOLJKM-YVMONPNESA-N 1 0 314.345 1.842 20 5 DDBDRO CC1(C)CC([NH3+])CC(C)(C)N1c1ncc([N+](=O)[O-])cc1C(N)=O ZINC001167624287 734846890 /nfs/dbraw/zinc/84/68/90/734846890.db2.gz RXBKLRYNDDYLEZ-UHFFFAOYSA-N 1 0 321.381 1.573 20 5 DDBDRO COC(=O)[C@@H](CCC[NH3+])Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC001167896069 739198456 /nfs/dbraw/zinc/19/84/56/739198456.db2.gz QWYPREKPVZQJHR-CYBMUJFWSA-N 1 0 318.333 1.835 20 5 DDBDRO O=[N+]([O-])c1cc2c(cc1F)ncnc2N[C@H]1C[NH2+]CC[C@H]1F ZINC001168227788 741832663 /nfs/dbraw/zinc/83/26/63/741832663.db2.gz WUSOECJPEDNXHL-KCJUWKMLSA-N 1 0 309.276 1.789 20 5 DDBDRO Cc1ccc(C(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)nn1 ZINC001126926147 742681525 /nfs/dbraw/zinc/68/15/25/742681525.db2.gz GXXFFKIJDRCAJW-UHFFFAOYSA-N 1 0 321.362 1.274 20 5 DDBDRO CNC(=O)N[C@H]1CC[N@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC001180673607 742871344 /nfs/dbraw/zinc/87/13/44/742871344.db2.gz PWPAGCYXELNYIJ-LBPRGKRZSA-N 1 0 306.366 1.715 20 5 DDBDRO O=C(NCC[NH2+]Cc1ccc2ccccc2c1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126939408 742881596 /nfs/dbraw/zinc/88/15/96/742881596.db2.gz XDHNBWFQVNIJCU-HZPDHXFCSA-N 1 0 313.357 1.711 20 5 DDBDRO CC[N@H+](C)[C@@H]1CCN(c2ccc(CC(=O)OC)cc2[N+](=O)[O-])C1 ZINC001187926578 744636447 /nfs/dbraw/zinc/63/64/47/744636447.db2.gz LUGKYEHIOKDPJK-CYBMUJFWSA-N 1 0 321.377 1.841 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@H](c2cnccn2)C1 ZINC001198157595 747393844 /nfs/dbraw/zinc/39/38/44/747393844.db2.gz RFDOBYVIVPMCQA-LBPRGKRZSA-N 1 0 315.333 1.036 20 5 DDBDRO Cc1cccnc1[C@H](C)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001198642325 747559796 /nfs/dbraw/zinc/55/97/96/747559796.db2.gz YVQMTKSCFULRJN-AAEUAGOBSA-N 1 0 305.338 1.206 20 5 DDBDRO COC(=O)c1ccc(C[NH3+])n1-c1ncc([N+](=O)[O-])cc1Cl ZINC001161934937 748306360 /nfs/dbraw/zinc/30/63/60/748306360.db2.gz IREDARKPNQXLIP-UHFFFAOYSA-N 1 0 310.697 1.679 20 5 DDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([NH2+]CC2CCCCC2)CC1 ZINC000996442015 749575814 /nfs/dbraw/zinc/57/58/14/749575814.db2.gz UKJLAXOBQRWKPH-HUUCEWRRSA-N 1 0 309.410 1.813 20 5 DDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([NH2+]Cc2cccc(F)c2)CC1 ZINC000996429654 749589154 /nfs/dbraw/zinc/58/91/54/749589154.db2.gz ROXFDZQUCDGDKO-HUUCEWRRSA-N 1 0 321.352 1.572 20 5 DDBDRO O=C(N[C@H]1CC[C@H]([NH2+]Cc2nccs2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001034643582 750625208 /nfs/dbraw/zinc/62/52/08/750625208.db2.gz PNSQPGCFIGOAPZ-DDHJBXDOSA-N 1 0 324.406 1.325 20 5 DDBDRO COc1nc(N[C@H]2CCCC[C@@H]2[NH+](C)C)nc(C)c1[N+](=O)[O-] ZINC001168593686 751240878 /nfs/dbraw/zinc/24/08/78/751240878.db2.gz SNBNICHLQWYHJS-QWRGUYRKSA-N 1 0 309.370 1.987 20 5 DDBDRO CC(C)(C)OC(=O)N1CC(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168956218 762153891 /nfs/dbraw/zinc/15/38/91/762153891.db2.gz AHXYZNXFQUKOOA-WCQYABFASA-N 1 0 313.398 1.888 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H]2CCN(Cc3ccccn3)C2)C1 ZINC001168992873 762166669 /nfs/dbraw/zinc/16/66/69/762166669.db2.gz LFVSUVVWHXVVLE-IJEWVQPXSA-N 1 0 304.394 1.691 20 5 DDBDRO [NH3+][C@H]1CC[C@H](N(c2ncccn2)[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168998702 762170644 /nfs/dbraw/zinc/17/06/44/762170644.db2.gz QCMNRQLQQREJRA-KBUPBQIOSA-N 1 0 319.409 1.998 20 5 DDBDRO COCCOc1cc(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)ncn1 ZINC001168998440 762170726 /nfs/dbraw/zinc/17/07/26/762170726.db2.gz NBXZHCAQIXXIGX-NWDGAFQWSA-N 1 0 310.354 1.037 20 5 DDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CCC(Oc3cnccn3)CC2)C1 ZINC001169039848 762193666 /nfs/dbraw/zinc/19/36/66/762193666.db2.gz UUQDHQBTSANTLN-QWHCGFSZSA-N 1 0 306.366 1.765 20 5 DDBDRO COC[C@]12CCCO[C@@H]1CC[N@@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169022094 762201291 /nfs/dbraw/zinc/20/12/91/762201291.db2.gz MUZSECJYXQWMOG-CAOSSQGBSA-N 1 0 312.410 1.949 20 5 DDBDRO COc1cccc(O[C@@H]2CC[N@@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)n1 ZINC001169053580 762209051 /nfs/dbraw/zinc/20/90/51/762209051.db2.gz IZFUONYPSVFUIN-MGPQQGTHSA-N 1 0 321.377 1.989 20 5 DDBDRO COc1cnc(-n2cc(CC[NH3+])c3ncccc32)cc1[N+](=O)[O-] ZINC001169705163 762612370 /nfs/dbraw/zinc/61/23/70/762612370.db2.gz GJTMQHIVXKAUAZ-UHFFFAOYSA-N 1 0 313.317 1.839 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])cc(NCC23CC[NH+](CC2)CC3)n1 ZINC001169794186 762676681 /nfs/dbraw/zinc/67/66/81/762676681.db2.gz GMAPVJXCDBXTDL-UHFFFAOYSA-N 1 0 320.349 1.674 20 5 DDBDRO O=[N+]([O-])c1cnc(Cl)c(C(F)(F)NC[C@@H]2C[C@H](F)C[NH2+]2)c1 ZINC001155033889 760322174 /nfs/dbraw/zinc/32/21/74/760322174.db2.gz QRSXSVLLJLQBMQ-BQBZGAKWSA-N 1 0 324.690 1.982 20 5 DDBDRO Cc1cc(C)cc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c1 ZINC001020138924 760612549 /nfs/dbraw/zinc/61/25/49/760612549.db2.gz IHEABKHUGWXSCV-KLHDSHLOSA-N 1 0 317.389 1.705 20 5 DDBDRO C[N@@H+](Cc1ccccc1CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC1CC1 ZINC001050245077 763366768 /nfs/dbraw/zinc/36/67/68/763366768.db2.gz YRDMHKNRVPNDCH-HZPDHXFCSA-N 1 0 317.389 1.810 20 5 DDBDRO C[C@H](Nc1ccc2nsnc2c1[N+](=O)[O-])[C@@H]1C[NH2+]CCO1 ZINC001170569548 768182759 /nfs/dbraw/zinc/18/27/59/768182759.db2.gz JOBMPRSXGLZGKS-XVKPBYJWSA-N 1 0 309.351 1.388 20 5 DDBDRO CN(c1cc([N+](=O)[O-])cc(Br)n1)C(C)(C)C[NH3+] ZINC001170058696 764450835 /nfs/dbraw/zinc/45/08/35/764450835.db2.gz AYBOCVVTKKMLKE-UHFFFAOYSA-N 1 0 303.160 1.926 20 5 DDBDRO COc1ccc(C[C@H](C)[NH2+]CCn2cnnc2)c([N+](=O)[O-])c1 ZINC001170304455 766230176 /nfs/dbraw/zinc/23/01/76/766230176.db2.gz BZFSEGFSWZURHC-NSHDSACASA-N 1 0 305.338 1.416 20 5 DDBDRO COc1ccc(C[C@@H](C)[NH2+][C@H]2CNC(=O)C2(C)C)c([N+](=O)[O-])c1 ZINC001170325861 766253104 /nfs/dbraw/zinc/25/31/04/766253104.db2.gz AUDRPAVEAQXKAM-YGRLFVJLSA-N 1 0 321.377 1.649 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(OC(C)C)cc1NCCN(C)CC[NH3+] ZINC001170504841 767626307 /nfs/dbraw/zinc/62/63/07/767626307.db2.gz LUNPEDUZUGSOIU-UHFFFAOYSA-N 1 0 310.398 1.993 20 5 DDBDRO CNc1cc([N+](=O)[O-])cnc1N1c2ccccc2OC[C@@H]1C[NH3+] ZINC001171391791 774361874 /nfs/dbraw/zinc/36/18/74/774361874.db2.gz FQXPBKATSFZCRH-NSHDSACASA-N 1 0 315.333 1.889 20 5 DDBDRO CN1CC[C@@H]([NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1=O ZINC001172899756 776915192 /nfs/dbraw/zinc/91/51/92/776915192.db2.gz PDIDZFJFOPQTKF-UKRRQHHQSA-N 1 0 303.362 1.663 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@H+]1C[C@@H](O)[C@H](CO)C1)CC2 ZINC001172905993 776916666 /nfs/dbraw/zinc/91/66/66/776916666.db2.gz VYWFWNLHZXMGFN-SQWLQELKSA-N 1 0 306.362 1.127 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)n2nncc2C[NH3+])c1F ZINC001173190645 777036768 /nfs/dbraw/zinc/03/67/68/777036768.db2.gz FTKWKDALAVFOGS-MRVPVSSYSA-N 1 0 309.301 1.596 20 5 DDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(NC(N)=O)CC1 ZINC001173224362 777058268 /nfs/dbraw/zinc/05/82/68/777058268.db2.gz FCEZEEWFSZFRFS-NSHDSACASA-N 1 0 306.366 1.659 20 5 DDBDRO O=C(c1cc(F)ccc1[N+](=O)[O-])N1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC001176532962 778172508 /nfs/dbraw/zinc/17/25/08/778172508.db2.gz CLPFGNDZWDQQKP-NWDGAFQWSA-N 1 0 323.324 1.015 20 5 DDBDRO CC1([NH+]2CCCC2)CCC(NC(=O)c2[nH]ncc2[N+](=O)[O-])CC1 ZINC001178090805 778894563 /nfs/dbraw/zinc/89/45/63/778894563.db2.gz QWWOGIWDCCJQTH-UHFFFAOYSA-N 1 0 321.381 1.845 20 5 DDBDRO CC[N@@H+]1CCC[C@H](NC(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000069392182 779415046 /nfs/dbraw/zinc/41/50/46/779415046.db2.gz GDQOKGKOVXGRBA-ZDUSSCGKSA-N 1 0 321.377 1.746 20 5 DDBDRO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001150929281 779783754 /nfs/dbraw/zinc/78/37/54/779783754.db2.gz SQYLGEYNZUBPHT-ZDUSSCGKSA-N 1 0 314.345 1.580 20 5 DDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC001118163347 781049119 /nfs/dbraw/zinc/04/91/19/781049119.db2.gz YFWRHVPGPQGRBQ-NSHDSACASA-N 1 0 314.292 1.364 20 5 DDBDRO O=[N+]([O-])c1cnccc1N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC001119288096 781393825 /nfs/dbraw/zinc/39/38/25/781393825.db2.gz VUUJPRFZJRHEBW-CYBMUJFWSA-N 1 0 306.366 1.727 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC001120025409 781728657 /nfs/dbraw/zinc/72/86/57/781728657.db2.gz QYNNVCGHQIRUDO-GXTWGEPZSA-N 1 0 323.397 1.508 20 5 DDBDRO CC[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1ccccc1C ZINC001266390521 836197384 /nfs/dbraw/zinc/19/73/84/836197384.db2.gz AWIIFOHGMIJVGQ-HUUCEWRRSA-N 1 0 305.378 1.598 20 5 DDBDRO COc1ncnc(NCc2ccc3c(c2)CC[NH2+]C3)c1[N+](=O)[O-] ZINC001155267938 861915682 /nfs/dbraw/zinc/91/56/82/861915682.db2.gz HGUCYLHRPIUWGI-UHFFFAOYSA-N 1 0 315.333 1.651 20 5 DDBDRO COc1nc(C)c([N+](=O)[O-])c(N2C[C@@H]([NH3+])Cc3ccccc32)n1 ZINC001155300605 861947418 /nfs/dbraw/zinc/94/74/18/861947418.db2.gz VKKOTVBYXZHWJG-NSHDSACASA-N 1 0 315.333 1.723 20 5 DDBDRO Cc1ocnc1C(=O)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001155329718 861964935 /nfs/dbraw/zinc/96/49/35/861964935.db2.gz ZVRZNGYJRPGMHT-UHFFFAOYSA-N 1 0 318.333 1.801 20 5 DDBDRO COc1cc(C)nc(N[C@H]2COCCC23C[NH2+]C3)c1[N+](=O)[O-] ZINC001155461790 862111485 /nfs/dbraw/zinc/11/14/85/862111485.db2.gz NHUDZANGHNSZIT-NSHDSACASA-N 1 0 308.338 1.097 20 5 DDBDRO O=[N+]([O-])c1ccnc(-n2c3ccccc3nc2N2CC[NH2+]CC2)c1 ZINC001155579163 862250281 /nfs/dbraw/zinc/25/02/81/862250281.db2.gz VLMVHPAHFYGMGB-UHFFFAOYSA-N 1 0 324.344 1.738 20 5 DDBDRO CCn1c(C[N+](=O)[O-])nnc1N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@H]2C1 ZINC001121791968 858596903 /nfs/dbraw/zinc/59/69/03/858596903.db2.gz PFINGAMIHAJJDF-AVGNSLFASA-N 1 0 322.413 1.241 20 5 DDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCC2(CC1)C[NH2+]CCO2 ZINC001122320350 858751246 /nfs/dbraw/zinc/75/12/46/858751246.db2.gz SSKSGMIXSPURCV-UHFFFAOYSA-N 1 0 319.361 1.118 20 5 DDBDRO C[C@H](CNC(=O)[C@@H](F)[C@@H]1CC[NH2+]C1)c1ccccc1[N+](=O)[O-] ZINC001122353762 858774534 /nfs/dbraw/zinc/77/45/34/858774534.db2.gz KOGJYPHWBRMKLZ-GYSYKLTISA-N 1 0 309.341 1.762 20 5 DDBDRO C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H]1C[N@H+](C)CCN1C ZINC001123318754 859173177 /nfs/dbraw/zinc/17/31/77/859173177.db2.gz SGLIXIFVRFAHAZ-BXUZGUMPSA-N 1 0 321.381 1.351 20 5 DDBDRO CC(=O)CCCC(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001123480832 859254469 /nfs/dbraw/zinc/25/44/69/859254469.db2.gz VJMOZEAPTJSRIJ-UHFFFAOYSA-N 1 0 307.350 1.560 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[C@@H]2C[N@@H+](C)C[C@@H]12 ZINC001124003006 859519452 /nfs/dbraw/zinc/51/94/52/859519452.db2.gz LTZJFFNLQYMPOH-KCPJHIHWSA-N 1 0 303.362 1.973 20 5 DDBDRO Cc1cc(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)[nH]n1 ZINC001124230184 859640700 /nfs/dbraw/zinc/64/07/00/859640700.db2.gz SUMVKZPITVCWJW-UHFFFAOYSA-N 1 0 303.322 1.146 20 5 DDBDRO Cc1cc(C(=O)NCCC[NH2+]Cc2ccccc2[N+](=O)[O-])no1 ZINC001154434227 861100428 /nfs/dbraw/zinc/10/04/28/861100428.db2.gz VUBWMCWYOOMDAY-UHFFFAOYSA-N 1 0 318.333 1.801 20 5 DDBDRO Cc1ncc(C[NH3+])c(=N)n1-c1ncc([N+](=O)[O-])c2ccccc21 ZINC001156829045 863375222 /nfs/dbraw/zinc/37/52/22/863375222.db2.gz HDDMZJLUVOENRJ-UHFFFAOYSA-N 1 0 310.317 1.575 20 5 DDBDRO COc1cc2ncnc(-n3ccc(CC[NH3+])n3)c2cc1[N+](=O)[O-] ZINC001156897969 863428451 /nfs/dbraw/zinc/42/84/51/863428451.db2.gz BMUQADYXAYULOV-UHFFFAOYSA-N 1 0 314.305 1.234 20 5 DDBDRO CCC[NH+]1C[C@H]2CN(c3ncnc(OC)c3[N+](=O)[O-])C[C@@H]2C1 ZINC001157692633 864052856 /nfs/dbraw/zinc/05/28/56/864052856.db2.gz YBGGIPVTIAIDFB-QWRGUYRKSA-N 1 0 307.354 1.171 20 5 DDBDRO COCc1cccc(C[NH2+]CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC001157761023 864110849 /nfs/dbraw/zinc/11/08/49/864110849.db2.gz KNKDOIZAJDPMST-HUUCEWRRSA-N 1 0 321.377 1.094 20 5 DDBDRO [NH3+][C@@H](CO)Cc1cncn1-c1nccc2ccc([N+](=O)[O-])cc21 ZINC001158206222 864488687 /nfs/dbraw/zinc/48/86/87/864488687.db2.gz DPQNBZKATFYUAM-LLVKDONJSA-N 1 0 313.317 1.191 20 5 DDBDRO [NH3+]Cc1cnnn1-c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC001158427308 864647403 /nfs/dbraw/zinc/64/74/03/864647403.db2.gz OVXVAUGWWWQQEM-UHFFFAOYSA-N 1 0 314.280 1.835 20 5 DDBDRO [NH3+][C@@H]1CN(c2nccc3ccc([N+](=O)[O-])cc32)CC12COC2 ZINC001158765808 864891285 /nfs/dbraw/zinc/89/12/85/864891285.db2.gz LEDGGRIDHAIBIW-CYBMUJFWSA-N 1 0 300.318 1.307 20 5 DDBDRO CCC[N@@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C1 ZINC001331284352 864986616 /nfs/dbraw/zinc/98/66/16/864986616.db2.gz ZOPVMUBHPUBLEY-GFCCVEGCSA-N 1 0 320.393 1.875 20 5 DDBDRO [NH3+]Cc1ccc2nnn(-c3cc([N+](=O)[O-])cc(Cl)n3)c2c1 ZINC001159026879 865055025 /nfs/dbraw/zinc/05/50/25/865055025.db2.gz PMOYPQQEWSQLQL-UHFFFAOYSA-N 1 0 304.697 1.836 20 5 DDBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N[C@@H](C)[C@H]2C[NH2+]CCO2)n1 ZINC001159496602 865346862 /nfs/dbraw/zinc/34/68/62/865346862.db2.gz KMARNQSBCSORJP-WCBMZHEXSA-N 1 0 300.746 1.740 20 5 DDBDRO CC(C)c1noc(CC[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)n1 ZINC001331956977 865460045 /nfs/dbraw/zinc/46/00/45/865460045.db2.gz ALCCNLFQLUAENH-ZDUSSCGKSA-N 1 0 320.349 1.967 20 5 DDBDRO Nc1nc(-n2nc(-c3ccncc3)cc2C[NH3+])ccc1[N+](=O)[O-] ZINC001160338784 865789870 /nfs/dbraw/zinc/78/98/70/865789870.db2.gz HEVSWZIHPJLLJT-UHFFFAOYSA-N 1 0 311.305 1.278 20 5 DDBDRO O=C(NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccsn1 ZINC001160698298 866045542 /nfs/dbraw/zinc/04/55/42/866045542.db2.gz VYXBTTYEUFHYAK-UHFFFAOYSA-N 1 0 320.374 1.961 20 5 DDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC001332815781 866163492 /nfs/dbraw/zinc/16/34/92/866163492.db2.gz LRMQPRZYZVIHOM-YPMHNXCESA-N 1 0 318.377 1.945 20 5 DDBDRO COC(=O)c1ccnc(NCC[C@H]2CCC[N@@H+]2C)c1[N+](=O)[O-] ZINC001160965309 866224873 /nfs/dbraw/zinc/22/48/73/866224873.db2.gz WHSYKUVRTFWEEQ-SNVBAGLBSA-N 1 0 308.338 1.673 20 5 DDBDRO COc1cc(C[NH+](C)C)ccc1NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC001161206544 866441583 /nfs/dbraw/zinc/44/15/83/866441583.db2.gz YQKYGQMOAGACCJ-UHFFFAOYSA-N 1 0 319.321 1.640 20 5 DDBDRO Cn1cc(CNc2ccc([N+](=O)[O-])c(OCC[NH+](C)C)c2)cn1 ZINC001161856124 867035833 /nfs/dbraw/zinc/03/58/33/867035833.db2.gz WLAXKSJKQZEULT-UHFFFAOYSA-N 1 0 319.365 1.881 20 5 DDBDRO CCOc1cc([N+](=O)[O-])ccc1N[C@@H](C)CN1CC[NH2+]CC1 ZINC001162097336 867249635 /nfs/dbraw/zinc/24/96/35/867249635.db2.gz NBYCKNQALITPCG-LBPRGKRZSA-N 1 0 308.382 1.699 20 5 DDBDRO COc1c(O)ccc(CNC2(C[NH+](C)C)CCC2)c1[N+](=O)[O-] ZINC001334272580 867442847 /nfs/dbraw/zinc/44/28/47/867442847.db2.gz WVKYMNMVDIBHFW-UHFFFAOYSA-N 1 0 309.366 1.883 20 5 DDBDRO CCOC(=O)c1cnc(N[C@@H]2CCC[C@@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC001162390980 867506567 /nfs/dbraw/zinc/50/65/67/867506567.db2.gz KSMMNJZOGZPERE-GHMZBOCLSA-N 1 0 308.338 1.848 20 5 DDBDRO CCOC1(OCC)CC[NH2+]C[C@@H]1Nc1cc([N+](=O)[O-])c(C)cn1 ZINC001162733585 867783333 /nfs/dbraw/zinc/78/33/33/867783333.db2.gz PIASYOWQTSTERN-ZDUSSCGKSA-N 1 0 324.381 1.841 20 5 DDBDRO CN(C)/C=C/c1cc(N[C@@H]2C=C[C@@H]3C[NH2+]C[C@H]23)ncc1[N+](=O)[O-] ZINC001162798737 867832002 /nfs/dbraw/zinc/83/20/02/867832002.db2.gz UMYKEWIYQUZRII-VQQHFMJTSA-N 1 0 315.377 1.708 20 5 DDBDRO NC(=O)c1nc(N2C[C@@H]([NH3+])Cc3ccccc32)ccc1[N+](=O)[O-] ZINC001162841727 867857961 /nfs/dbraw/zinc/85/79/61/867857961.db2.gz NHDPXZNHODIMQC-JTQLQIEISA-N 1 0 313.317 1.110 20 5 DDBDRO [NH3+][C@H]1Cc2ccccc2N(c2ccc([N+](=O)[O-])c3c2CNC3=O)C1 ZINC001162853348 867874600 /nfs/dbraw/zinc/87/46/00/867874600.db2.gz HYVWTXQJZQITMB-NSHDSACASA-N 1 0 324.340 1.860 20 5 DDBDRO O=C(NCC[C@@H]1CC[NH2+]C1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001325365784 867971901 /nfs/dbraw/zinc/97/19/01/867971901.db2.gz GVYUCDLUPBZWLP-NSHDSACASA-N 1 0 304.350 1.620 20 5 DDBDRO O=C1NCc2c1c([N+](=O)[O-])ccc2N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC001162987882 867975781 /nfs/dbraw/zinc/97/57/81/867975781.db2.gz MEXUEPAFZKQNCV-SWLSCSKDSA-N 1 0 302.334 1.535 20 5 DDBDRO C[C@H]1[C@@H](NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CC[N@@H+]1C ZINC001335230803 868158030 /nfs/dbraw/zinc/15/80/30/868158030.db2.gz REBSTVOKKFOCFN-NHYWBVRUSA-N 1 0 318.377 1.755 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@@H](O)c2ccncc2)c1 ZINC001335317960 868222138 /nfs/dbraw/zinc/22/21/38/868222138.db2.gz RNSUASNMEPEDKQ-CABCVRRESA-N 1 0 303.318 1.346 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1nc(Cl)nc2ccccc21 ZINC001228036859 883300073 /nfs/dbraw/zinc/30/00/73/883300073.db2.gz VVOPIJJRFWWCJE-SNVBAGLBSA-N 1 0 324.788 1.646 20 5 DDBDRO COc1ccc(N[C@@H]2CCO[C@@]3(CC[NH2+]C3)C2)nc1[N+](=O)[O-] ZINC001163305030 868328754 /nfs/dbraw/zinc/32/87/54/868328754.db2.gz KTKKJZPDAJBUNJ-YGRLFVJLSA-N 1 0 308.338 1.321 20 5 DDBDRO COc1cccc([C@@H](C[NH3+])Nc2ncc([N+](=O)[O-])cc2N)c1 ZINC001163310092 868338712 /nfs/dbraw/zinc/33/87/12/868338712.db2.gz RVQMKHHYQPDONQ-CYBMUJFWSA-N 1 0 303.322 1.693 20 5 DDBDRO O=C1NCc2c1c([N+](=O)[O-])ccc2N[C@H]1C[NH+]2CCC1CC2 ZINC001163394010 868413934 /nfs/dbraw/zinc/41/39/34/868413934.db2.gz AAELOIZIRMEXBC-LBPRGKRZSA-N 1 0 302.334 1.344 20 5 DDBDRO C[NH+](C)[C@H]1C[C@H](Nc2nccc(C(N)=O)c2[N+](=O)[O-])C12CCC2 ZINC001163721493 868654035 /nfs/dbraw/zinc/65/40/35/868654035.db2.gz KEWWFGVQIKMTTN-QWRGUYRKSA-N 1 0 319.365 1.373 20 5 DDBDRO COc1c(C(=O)N[C@H]2C[NH+]3CCC2CC3)cccc1[N+](=O)[O-] ZINC001336077783 868716867 /nfs/dbraw/zinc/71/68/67/868716867.db2.gz AXKPEGDWHJVRJB-LBPRGKRZSA-N 1 0 305.334 1.427 20 5 DDBDRO Cc1nn(CCC(=O)NC[C@@H]2CCCC[N@H+]2C)c(C)c1[N+](=O)[O-] ZINC001336205364 868787896 /nfs/dbraw/zinc/78/78/96/868787896.db2.gz XSYYUEMRWMHPDM-ZDUSSCGKSA-N 1 0 323.397 1.399 20 5 DDBDRO COc1nc(SC)nc(N(CCC[NH3+])C(C)C)c1[N+](=O)[O-] ZINC001164122283 868954402 /nfs/dbraw/zinc/95/44/02/868954402.db2.gz CJQKNDMHYQLYKN-UHFFFAOYSA-N 1 0 315.399 1.679 20 5 DDBDRO C[NH+](C)C1CCC(Oc2ccc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC001226168408 882245770 /nfs/dbraw/zinc/24/57/70/882245770.db2.gz RXKHWRHSSWZVEP-UHFFFAOYSA-N 1 0 307.350 1.945 20 5 DDBDRO CN1CCC(CNc2nccc(N)c2[N+](=O)[O-])([NH+](C)C)CC1 ZINC001164210723 869019911 /nfs/dbraw/zinc/01/99/11/869019911.db2.gz HMJPLNGWZRBPRS-UHFFFAOYSA-N 1 0 308.386 1.010 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H]2c3ccccc3C[C@@H]2O)c1 ZINC001336785427 869140605 /nfs/dbraw/zinc/14/06/05/869140605.db2.gz ZRZVUVYTTVLQAP-BBWFWOEESA-N 1 0 314.341 1.876 20 5 DDBDRO [NH3+]CCON=c1[nH]cccc1NC(=O)c1ccccc1[N+](=O)[O-] ZINC001164407019 869181121 /nfs/dbraw/zinc/18/11/21/869181121.db2.gz GFVGFRSQCCECHH-UHFFFAOYSA-N 1 0 317.305 1.544 20 5 DDBDRO COCCC[NH+]1CCN(c2cc(OC)c([N+](=O)[O-])cn2)CC1 ZINC001165097688 869373329 /nfs/dbraw/zinc/37/33/29/869373329.db2.gz NLEFJTBGDQYHCF-UHFFFAOYSA-N 1 0 310.354 1.157 20 5 DDBDRO COC(=O)c1cnc(N2CCC(C3C[NH2+]C3)CC2)c([N+](=O)[O-])c1 ZINC001165410468 869576396 /nfs/dbraw/zinc/57/63/96/869576396.db2.gz HYCVXIWREZRKIT-UHFFFAOYSA-N 1 0 320.349 1.212 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cc([N+](=O)[O-])ccc1F ZINC001226265843 882318563 /nfs/dbraw/zinc/31/85/63/882318563.db2.gz LZQDIJBCMALYNF-SNVBAGLBSA-N 1 0 301.294 1.097 20 5 DDBDRO COCc1nn(-c2cc([N+](=O)[O-])c3cc[nH]c3n2)c2c1C[NH2+]C2 ZINC001165633079 869662051 /nfs/dbraw/zinc/66/20/51/869662051.db2.gz OKWCFQGTSPGZDZ-UHFFFAOYSA-N 1 0 314.305 1.406 20 5 DDBDRO C[C@@H](c1nnc(N2CCC[N@@H+](C3CCCC3)CC2)n1C)[N+](=O)[O-] ZINC001338210356 869869479 /nfs/dbraw/zinc/86/94/79/869869479.db2.gz PJHANNWYLZYMKH-LBPRGKRZSA-N 1 0 322.413 1.608 20 5 DDBDRO CCn1c(-c2c[nH]c([N+](=O)[O-])c2)nnc1N1CC[NH+](CC)CC1 ZINC001339548467 870549837 /nfs/dbraw/zinc/54/98/37/870549837.db2.gz JSHAQODOEHCCCJ-UHFFFAOYSA-N 1 0 319.369 1.343 20 5 DDBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cn(C)cn1 ZINC001308976177 871539606 /nfs/dbraw/zinc/53/96/06/871539606.db2.gz RBDQCISVXNFHHA-LLVKDONJSA-N 1 0 317.349 1.835 20 5 DDBDRO C[C@H](CNC(=O)[C@]1(C)C[NH2+]CCO1)c1ccccc1[N+](=O)[O-] ZINC001341318395 871606059 /nfs/dbraw/zinc/60/60/59/871606059.db2.gz PAIGBYMEXKZDDL-ABAIWWIYSA-N 1 0 307.350 1.193 20 5 DDBDRO C[C@@H](CNC(=O)CO[C@H]1CCC[NH2+]C1)c1ccccc1[N+](=O)[O-] ZINC001341428701 871656226 /nfs/dbraw/zinc/65/62/26/871656226.db2.gz LPRCGUDWCLFJQY-STQMWFEESA-N 1 0 321.377 1.583 20 5 DDBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001341434262 871658994 /nfs/dbraw/zinc/65/89/94/871658994.db2.gz FGGSBWVMJYVDTE-NTZNESFSSA-N 1 0 304.350 1.406 20 5 DDBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1COCC[NH2+]1 ZINC001341464628 871668518 /nfs/dbraw/zinc/66/85/18/871668518.db2.gz WUCBCBNMNRUFOZ-VIFPVBQESA-N 1 0 311.363 1.035 20 5 DDBDRO [NH3+]C[C@]12CC[C@@H]1CCN2C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC001341591164 871726888 /nfs/dbraw/zinc/72/68/88/871726888.db2.gz LVLBEHDZBYYRFH-CZUORRHYSA-N 1 0 303.362 1.867 20 5 DDBDRO C[C@@H]1C[NH2+]C[C@H]1CNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC001341648272 871753978 /nfs/dbraw/zinc/75/39/78/871753978.db2.gz SUOIDBARFNMABJ-NEPJUHHUSA-N 1 0 306.366 1.369 20 5 DDBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)NCCN1CC=CC1 ZINC001342234328 872093727 /nfs/dbraw/zinc/09/37/27/872093727.db2.gz OFEFTNWGUJZDHA-UHFFFAOYSA-N 1 0 307.375 1.918 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCCCC[NH2+]2)c1 ZINC001342959792 872451001 /nfs/dbraw/zinc/45/10/01/872451001.db2.gz GNLCCJVZGRYYHF-NSHDSACASA-N 1 0 307.350 1.865 20 5 DDBDRO COCC[C@@H]1C[NH2+]CCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC001342995016 872463342 /nfs/dbraw/zinc/46/33/42/872463342.db2.gz PRTRWQZQANXZRB-CYBMUJFWSA-N 1 0 307.350 1.354 20 5 DDBDRO O=C(N[C@H]1COC2(C[NH2+]C2)C1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC001344000083 872830823 /nfs/dbraw/zinc/83/08/23/872830823.db2.gz NUTXDAIOLBRDJZ-SECBINFHSA-N 1 0 311.725 1.109 20 5 DDBDRO CN(C)[C@@H](C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC001346110394 873615231 /nfs/dbraw/zinc/61/52/31/873615231.db2.gz QEHOPXXTONJUGB-HIFRSBDPSA-N 1 0 323.393 1.264 20 5 DDBDRO CN(C)[C@@H](C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC001346110396 873615412 /nfs/dbraw/zinc/61/54/12/873615412.db2.gz QEHOPXXTONJUGB-ZFWWWQNUSA-N 1 0 323.393 1.264 20 5 DDBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCN1CCNC1=S ZINC001207868512 873625584 /nfs/dbraw/zinc/62/55/84/873625584.db2.gz AXQJDIFTTRBBEO-LBPRGKRZSA-N 1 0 322.434 1.696 20 5 DDBDRO CCN([C@@H]1CC[NH2+]C1)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC001350092194 875532442 /nfs/dbraw/zinc/53/24/42/875532442.db2.gz GGSNRIFUNSQUHC-CYBMUJFWSA-N 1 0 313.379 1.108 20 5 DDBDRO Cn1c(CCC[N+](=O)[O-])nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001350550364 875754808 /nfs/dbraw/zinc/75/48/08/875754808.db2.gz RINRVOUYEBKHSQ-ZDUSSCGKSA-N 1 0 322.413 1.089 20 5 DDBDRO CCC[NH+]1CCC(N(C)c2nnc([C@@H](C)[N+](=O)[O-])n2C)CC1 ZINC001350588499 875771605 /nfs/dbraw/zinc/77/16/05/875771605.db2.gz OVJVAHLKEIDPRE-LLVKDONJSA-N 1 0 310.402 1.463 20 5 DDBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]CC[C@]1(O)CCOC1 ZINC000404214109 877008615 /nfs/dbraw/zinc/00/86/15/877008615.db2.gz RYNCRIKVCXINGH-ZDUSSCGKSA-N 1 0 300.742 1.879 20 5 DDBDRO CCOC(=O)Cc1ccc([N+](=O)[O-])c(O[C@@H]2CCC[NH2+]C2)c1 ZINC001218286326 877444122 /nfs/dbraw/zinc/44/41/22/877444122.db2.gz FYZWFYOILNULOY-GFCCVEGCSA-N 1 0 308.334 1.831 20 5 DDBDRO C[NH+]1CCC([C@H]2CCN(c3cc(N)c([N+](=O)[O-])cn3)C2)CC1 ZINC001354140010 877773376 /nfs/dbraw/zinc/77/33/76/877773376.db2.gz KUKIRIHJQLVEIP-LBPRGKRZSA-N 1 0 305.382 1.740 20 5 DDBDRO C[NH+](C)C1(CNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001354182038 877796102 /nfs/dbraw/zinc/79/61/02/877796102.db2.gz PFQYKWHGHQFWHR-UHFFFAOYSA-N 1 0 318.377 1.757 20 5 DDBDRO COCC[N@H+]1[C@H](C)CN(c2cc(N)c([N+](=O)[O-])cn2)C[C@@H]1C ZINC001354227305 877820428 /nfs/dbraw/zinc/82/04/28/877820428.db2.gz YHSUFOPOPJQIIW-PHIMTYICSA-N 1 0 309.370 1.117 20 5 DDBDRO O=C(CN1CC[NH2+]CC1)Nc1cc2cccnc2c2ncccc12 ZINC001218980051 877851189 /nfs/dbraw/zinc/85/11/89/877851189.db2.gz QJRFFCLEHLBVGX-UHFFFAOYSA-N 1 0 321.384 1.627 20 5 DDBDRO O=C(Nc1cc2cccnc2c2ncccc12)[C@H]1C[C@@H](O)C[NH2+]1 ZINC001218979994 877852323 /nfs/dbraw/zinc/85/23/23/877852323.db2.gz OJEPWWBCGIQJHU-BXUZGUMPSA-N 1 0 308.341 1.444 20 5 DDBDRO C[C@H]1C[C@H]1C(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001355080909 878414296 /nfs/dbraw/zinc/41/42/96/878414296.db2.gz MRADMGULSPPIPN-WCQYABFASA-N 1 0 318.377 1.941 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1COCC[N@H+]1CC[C@@H](OC)C1 ZINC001223945768 881157839 /nfs/dbraw/zinc/15/78/39/881157839.db2.gz KWLDADGUFSMMFG-CQSZACIVSA-N 1 0 310.350 1.841 20 5 DDBDRO CCCC(=O)Nc1ccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)cc1 ZINC001229487572 884009690 /nfs/dbraw/zinc/00/96/90/884009690.db2.gz NBFHDKSIILCEKB-CQSZACIVSA-O 1 0 323.413 1.788 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccccc1-c1ncc[nH]1 ZINC001230607237 884646892 /nfs/dbraw/zinc/64/68/92/884646892.db2.gz DLPOFFBGXWTCKS-GFCCVEGCSA-N 1 0 304.370 1.439 20 5 DDBDRO Cc1cc(F)c(OC(=O)C[C@@H](O)C[N+](C)(C)C)cc1[N+](=O)[O-] ZINC001234057854 887599444 /nfs/dbraw/zinc/59/94/44/887599444.db2.gz AMDFZKNYEZAZME-SNVBAGLBSA-N 1 0 315.321 1.405 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]3CCNC[C@H]3F)CC2)cc1 ZINC001246085800 892408365 /nfs/dbraw/zinc/40/83/65/892408365.db2.gz IZMYRNDSEVCMNT-CVEARBPZSA-N 1 0 322.384 1.853 20 5 DDBDRO COc1ccc(C[C@H](C)[NH2+]C(CCO)CCO)c([N+](=O)[O-])c1 ZINC001246332281 892543362 /nfs/dbraw/zinc/54/33/62/892543362.db2.gz HCNWGELPYOFQPE-NSHDSACASA-N 1 0 312.366 1.257 20 5 DDBDRO COc1ccc(C[C@H](C)N2C[C@@H]3CC[C@]3([NH3+])C2)c([N+](=O)[O-])c1 ZINC001246856294 892942529 /nfs/dbraw/zinc/94/25/29/892942529.db2.gz WQIGTDLEXJKRDA-RBOXIYTFSA-N 1 0 305.378 1.958 20 5 DDBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@H]2C[NH+]3CCC2CC3)n1 ZINC001248964844 893783370 /nfs/dbraw/zinc/78/33/70/893783370.db2.gz LHQOCIBFFSAGDX-JTQLQIEISA-N 1 0 319.296 1.988 20 5 DDBDRO CN1C[C@@H]2C[C@H]1C[N@@H+]2C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254479937 896455850 /nfs/dbraw/zinc/45/58/50/896455850.db2.gz QYKYAXQYKWUBHI-IRXDYDNUSA-N 1 0 316.405 1.952 20 5 DDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CN(c2ccncn2)C1 ZINC001254545402 896496925 /nfs/dbraw/zinc/49/69/25/896496925.db2.gz NLGYLOQGBAKZOR-LBPRGKRZSA-N 1 0 313.361 1.794 20 5 DDBDRO COC(=O)C1CC(C[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254581141 896513411 /nfs/dbraw/zinc/51/34/11/896513411.db2.gz KZITXUAJCOQKLA-DBRPNBKGSA-N 1 0 304.346 1.851 20 5 DDBDRO CN(C)C(=O)[C@@H]1CCC[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254597367 896525316 /nfs/dbraw/zinc/52/53/16/896525316.db2.gz CTQRIKUNHMFCLN-CJNGLKHVSA-N 1 0 317.389 1.862 20 5 DDBDRO CC(C)(O)C[NH+]1CCN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254610320 896531857 /nfs/dbraw/zinc/53/18/57/896531857.db2.gz LDKKEVKEGPXEHS-MRXNPFEDSA-N 1 0 319.405 1.451 20 5 DDBDRO COC(=O)[C@@]1(C)CC[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254612474 896534266 /nfs/dbraw/zinc/53/42/66/896534266.db2.gz WTGHAYFTYDWFBV-HOCLYGCPSA-N 1 0 304.346 1.947 20 5 DDBDRO CC(C)C[C@H](C[NH3+])NC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001261377401 899523361 /nfs/dbraw/zinc/52/33/61/899523361.db2.gz RCXFODMGSUHESU-CYBMUJFWSA-N 1 0 306.366 1.993 20 5 DDBDRO C[NH+](C)CCONC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC001261740721 899746584 /nfs/dbraw/zinc/74/65/84/899746584.db2.gz MIQNAFUMJPULDB-UHFFFAOYSA-N 1 0 319.720 1.539 20 5 DDBDRO CCO[C@H]1C[C@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC001262571926 900255244 /nfs/dbraw/zinc/25/52/44/900255244.db2.gz GXYFCBRJDLYIJW-JHJVBQTASA-N 1 0 310.350 1.492 20 5 DDBDRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001263130088 900507597 /nfs/dbraw/zinc/50/75/97/900507597.db2.gz JXPOBDAODKKADX-HJPIBITLSA-N 1 0 303.362 1.955 20 5 DDBDRO C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC001263187653 900527095 /nfs/dbraw/zinc/52/70/95/900527095.db2.gz TYFQLNHBKRQDOQ-NOZJJQNGSA-N 1 0 304.350 1.507 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC001263189798 900527129 /nfs/dbraw/zinc/52/71/29/900527129.db2.gz JFOJBELCQDEWLS-GHMZBOCLSA-N 1 0 307.350 1.660 20 5 DDBDRO O=C(NC[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)C(F)F ZINC001263853481 900768798 /nfs/dbraw/zinc/76/87/98/900768798.db2.gz WEZDETRQDLEWRJ-XYPYZODXSA-N 1 0 313.304 1.844 20 5 DDBDRO C[NH+](C)Cc1ccc(NC(=O)c2n[nH]cc2[N+](=O)[O-])cc1F ZINC001294118320 914925767 /nfs/dbraw/zinc/92/57/67/914925767.db2.gz XEYXSWADGHLTGU-UHFFFAOYSA-N 1 0 307.285 1.771 20 5 DDBDRO CC[NH+]1CCN(c2cc(C)c([N+](=O)[O-])cc2C(=O)OC)CC1 ZINC000278465317 214170944 /nfs/dbraw/zinc/17/09/44/214170944.db2.gz BSEUMGHYBWRHRG-UHFFFAOYSA-N 1 0 307.350 1.832 20 5 DDBDRO C[C@@H](CNc1nc2cc([N+](=O)[O-])ccc2[nH]1)[NH+]1CCN(C)CC1 ZINC000278597612 214263847 /nfs/dbraw/zinc/26/38/47/214263847.db2.gz ZHXSCGHKCBHKLD-NSHDSACASA-N 1 0 318.381 1.519 20 5 DDBDRO CC[C@H](CO)[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000295806361 529381758 /nfs/dbraw/zinc/38/17/58/529381758.db2.gz WKWJCSZBFQOOTH-SNVBAGLBSA-N 1 0 313.329 1.765 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CC[C@@H](CCCO)C1 ZINC000452126063 231313113 /nfs/dbraw/zinc/31/31/13/231313113.db2.gz TZIQTMRWBLGYAA-KGLIPLIRSA-N 1 0 324.377 1.429 20 5 DDBDRO CC[C@@](C)(C(=O)OC)[N@H+](CCn1ccc([N+](=O)[O-])n1)CC1CC1 ZINC000425513148 529493045 /nfs/dbraw/zinc/49/30/45/529493045.db2.gz OJKCMTMFWWXJOJ-HNNXBMFYSA-N 1 0 324.381 1.845 20 5 DDBDRO O=C1CC[C@H]([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CN1 ZINC000358130635 299084082 /nfs/dbraw/zinc/08/40/82/299084082.db2.gz MQXVOHSWIREYMH-UONOGXRCSA-N 1 0 303.362 1.784 20 5 DDBDRO Cc1cnc(CC[N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)s1 ZINC000090589739 185305601 /nfs/dbraw/zinc/30/56/01/185305601.db2.gz MOYPGOVRELIXJV-UHFFFAOYSA-N 1 0 322.390 1.696 20 5 DDBDRO C[C@@H]1C[C@@H](N(C)CCn2cc([N+](=O)[O-])ccc2=O)CC[N@@H+]1C ZINC000090551641 185302726 /nfs/dbraw/zinc/30/27/26/185302726.db2.gz NNRGUYRPHWFPJU-OLZOCXBDSA-N 1 0 308.382 1.171 20 5 DDBDRO C[N@@H+]1CC[C@@H](CNC(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000491745135 529792472 /nfs/dbraw/zinc/79/24/72/529792472.db2.gz NTIKCVAUNSIPHG-MZBZXASESA-N 1 0 307.325 1.815 20 5 DDBDRO C[NH2+]CCCNC(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-] ZINC000417720089 529968121 /nfs/dbraw/zinc/96/81/21/529968121.db2.gz RBKJOWWAMBSFNC-UHFFFAOYSA-N 1 0 323.397 1.614 20 5 DDBDRO C[NH2+]CCN(C)[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000420339791 529973821 /nfs/dbraw/zinc/97/38/21/529973821.db2.gz QIWCLTKZQOYFMZ-SNVBAGLBSA-N 1 0 310.354 1.082 20 5 DDBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCC[C@H]1O ZINC000286752758 219147321 /nfs/dbraw/zinc/14/73/21/219147321.db2.gz YUXSYXPHUOUBRE-ZIAGYGMSSA-N 1 0 307.350 1.769 20 5 DDBDRO C[C@H]1C[C@H](NC(=O)CN(C)c2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000330923164 232167404 /nfs/dbraw/zinc/16/74/04/232167404.db2.gz SGBLICMNESKOFL-QWHCGFSZSA-N 1 0 320.393 1.630 20 5 DDBDRO CC[N@@H+]1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000286770069 219158023 /nfs/dbraw/zinc/15/80/23/219158023.db2.gz ZUBHWUABKQBPCV-KBPBESRZSA-N 1 0 323.393 1.361 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NCc1ccccc1C[NH+](C)C ZINC000160429400 290771956 /nfs/dbraw/zinc/77/19/56/290771956.db2.gz DCHVPUBRAIFRDY-UHFFFAOYSA-N 1 0 317.349 1.320 20 5 DDBDRO C[C@H](O)C[C@@H]1CCCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000279677535 215053588 /nfs/dbraw/zinc/05/35/88/215053588.db2.gz DZPJWMIDIFDAMA-FZMZJTMJSA-N 1 0 321.377 1.819 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000320604123 290820820 /nfs/dbraw/zinc/82/08/20/290820820.db2.gz XLBOBSTUGUNEAL-DTWKUNHWSA-N 1 0 317.367 1.008 20 5 DDBDRO C[C@@H](CO)C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000237449848 186291171 /nfs/dbraw/zinc/29/11/71/186291171.db2.gz NBRXGSJHKNCGAG-LLVKDONJSA-N 1 0 304.350 1.713 20 5 DDBDRO Nc1c(F)c(NCCCC[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000266861658 186362872 /nfs/dbraw/zinc/36/28/72/186362872.db2.gz OSCKIMGRCLZTEC-UHFFFAOYSA-N 1 0 312.345 1.840 20 5 DDBDRO CC[C@H](C)[N@H+](CCO)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000287204792 219379252 /nfs/dbraw/zinc/37/92/52/219379252.db2.gz DRULXQAALMMHOK-LBPRGKRZSA-N 1 0 309.366 1.650 20 5 DDBDRO COc1cc(NCC2CC[NH+](CCO)CC2)ccc1[N+](=O)[O-] ZINC000301412077 186731077 /nfs/dbraw/zinc/73/10/77/186731077.db2.gz POYDCFOMHSWSFQ-UHFFFAOYSA-N 1 0 309.366 1.720 20 5 DDBDRO CCOC(=O)CC[C@H](O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000564860004 304020593 /nfs/dbraw/zinc/02/05/93/304020593.db2.gz LQBXZTWZFNPFOV-FZMZJTMJSA-N 1 0 310.350 1.950 20 5 DDBDRO NC(=O)c1ccc(NCCC[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000018060643 352166141 /nfs/dbraw/zinc/16/61/41/352166141.db2.gz WIUWUHGTODSXBF-UHFFFAOYSA-N 1 0 306.366 1.982 20 5 DDBDRO C[C@H](CNC(=O)CN(C)c1ccccc1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000173035846 198179055 /nfs/dbraw/zinc/17/90/55/198179055.db2.gz DCMLURFGFIHLTE-GFCCVEGCSA-N 1 0 320.393 1.630 20 5 DDBDRO C[C@H]1C[N@H+](C)CCN1C(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000491577357 234207077 /nfs/dbraw/zinc/20/70/77/234207077.db2.gz VRKSHLLSOWRYBQ-QZPNVGJNSA-N 1 0 307.325 1.910 20 5 DDBDRO O=C(NCCCO)C1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000058506078 352845768 /nfs/dbraw/zinc/84/57/68/352845768.db2.gz HDMLAFKEHPSSBQ-UHFFFAOYSA-N 1 0 321.377 1.305 20 5 DDBDRO CC(C)NS(=O)(=O)CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173390159 198209560 /nfs/dbraw/zinc/20/95/60/198209560.db2.gz QHXRAKVXHLBCPC-LLVKDONJSA-N 1 0 315.395 1.573 20 5 DDBDRO C[N@@H+]1CCC[C@@H](CNC(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000074160859 353296221 /nfs/dbraw/zinc/29/62/21/353296221.db2.gz AQVFYWMBYALQID-ZDUSSCGKSA-N 1 0 320.393 1.778 20 5 DDBDRO CCC[N@@H+]1CCCN(c2ccc(C(=O)NC)cc2[N+](=O)[O-])CC1 ZINC000074258530 353303490 /nfs/dbraw/zinc/30/34/90/353303490.db2.gz FYGPZDDCDXTSDL-UHFFFAOYSA-N 1 0 320.393 1.877 20 5 DDBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000075625218 353372259 /nfs/dbraw/zinc/37/22/59/353372259.db2.gz JHGMIESSBOBYFC-ZDUSSCGKSA-N 1 0 320.393 1.362 20 5 DDBDRO C[C@@H]1CN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@@H]1[NH+](C)C ZINC000332060788 234442015 /nfs/dbraw/zinc/44/20/15/234442015.db2.gz PZCYNWJRVLFOST-ABAIWWIYSA-N 1 0 321.377 1.843 20 5 DDBDRO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083170726 353706189 /nfs/dbraw/zinc/70/61/89/353706189.db2.gz FNRXNPQHMWKNTR-UWVGGRQHSA-N 1 0 318.333 1.822 20 5 DDBDRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000093064735 353884105 /nfs/dbraw/zinc/88/41/05/353884105.db2.gz SUAKRCKROVPJES-ZIAGYGMSSA-N 1 0 304.350 1.079 20 5 DDBDRO CCOC(=O)CC[C@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000162081211 354245479 /nfs/dbraw/zinc/24/54/79/354245479.db2.gz DNAIMNFYFSZRNM-CYBMUJFWSA-N 1 0 324.381 1.847 20 5 DDBDRO C[C@H]([NH3+])[C@H]1CN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CCO1 ZINC000156424206 354219175 /nfs/dbraw/zinc/21/91/75/354219175.db2.gz FYXYLBDTLRPUHB-GZMMTYOYSA-N 1 0 313.741 1.436 20 5 DDBDRO Cc1ccc(C[C@H](C)[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)s1 ZINC000316309747 354501814 /nfs/dbraw/zinc/50/18/14/354501814.db2.gz WCWOSXKCGMSIBP-GXFFZTMASA-N 1 0 324.406 1.743 20 5 DDBDRO COc1cccc(N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)c1[N+](=O)[O-] ZINC000585781963 354841263 /nfs/dbraw/zinc/84/12/63/354841263.db2.gz GTKLYKWYLNOSMY-QWHCGFSZSA-N 1 0 307.350 1.513 20 5 DDBDRO C[N@@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C[C@@H](O)C1CC1 ZINC000589198283 354972473 /nfs/dbraw/zinc/97/24/73/354972473.db2.gz YPULFFCSHWALHC-CYBMUJFWSA-N 1 0 308.334 1.569 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@@H]([NH+](C)C)[C@H]1C ZINC000590566986 355115777 /nfs/dbraw/zinc/11/57/77/355115777.db2.gz WGGABZDGDXSHPQ-ZYHUDNBSSA-N 1 0 309.370 1.041 20 5 DDBDRO COC(=O)c1ccnc(N2CCC([NH2+]C3CC3)CC2)c1[N+](=O)[O-] ZINC000590581635 355120287 /nfs/dbraw/zinc/12/02/87/355120287.db2.gz KROWDEUJQFRLMP-UHFFFAOYSA-N 1 0 320.349 1.497 20 5 DDBDRO COc1ccc(C(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000590442362 355096388 /nfs/dbraw/zinc/09/63/88/355096388.db2.gz FNKLKDCVNYVVSW-YPMHNXCESA-N 1 0 305.334 1.380 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)c1[N+](=O)[O-] ZINC000590443494 355097274 /nfs/dbraw/zinc/09/72/74/355097274.db2.gz KMXMLCYFLYROCA-ZJUUUORDSA-N 1 0 307.354 1.217 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000332580476 235139544 /nfs/dbraw/zinc/13/95/44/235139544.db2.gz HTPDBWDARYWDLN-ZDUSSCGKSA-N 1 0 318.377 1.622 20 5 DDBDRO C[C@@H](CCO)CC[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000590654644 355139103 /nfs/dbraw/zinc/13/91/03/355139103.db2.gz ZKWWWGFWIVLJPB-LLVKDONJSA-N 1 0 310.350 1.864 20 5 DDBDRO O=C1CC[C@H]([NH+]2CCN(c3ccc([N+](=O)[O-])s3)CC2)CCN1 ZINC000590736094 355158730 /nfs/dbraw/zinc/15/87/30/355158730.db2.gz YVAXOGQKSQYUNC-NSHDSACASA-N 1 0 324.406 1.447 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000591270622 355274779 /nfs/dbraw/zinc/27/47/79/355274779.db2.gz YVVPWUFHTHKMDZ-TVQRCGJNSA-N 1 0 324.337 1.183 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000591448702 355314458 /nfs/dbraw/zinc/31/44/58/355314458.db2.gz ONWMHQNRCMECMZ-IUODEOHRSA-N 1 0 318.377 1.526 20 5 DDBDRO [NH3+][C@@H]1CCC[C@H](NCc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000591278496 355277067 /nfs/dbraw/zinc/27/70/67/355277067.db2.gz IYIWBAWDINYWCG-NEPJUHHUSA-N 1 0 307.350 1.726 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@H](C[NH3+])C1 ZINC000591299526 355283478 /nfs/dbraw/zinc/28/34/78/355283478.db2.gz PJNZRAQAVZTCCH-SNVBAGLBSA-N 1 0 308.338 1.806 20 5 DDBDRO Cc1cccnc1C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000591734479 355374822 /nfs/dbraw/zinc/37/48/22/355374822.db2.gz CFLKHDDBTRCINK-CQSZACIVSA-N 1 0 317.345 1.828 20 5 DDBDRO COc1ccc(CC(=O)N2CC[NH2+]CC2(C)C)cc1[N+](=O)[O-] ZINC000591678332 355360403 /nfs/dbraw/zinc/36/04/03/355360403.db2.gz OKGJBPKSZCNGLG-UHFFFAOYSA-N 1 0 307.350 1.356 20 5 DDBDRO COc1cccc(C(=O)N[C@H]2CC23CC[NH2+]CC3)c1[N+](=O)[O-] ZINC000591685791 355361566 /nfs/dbraw/zinc/36/15/66/355361566.db2.gz OOGXOSZAUBAFOJ-LBPRGKRZSA-N 1 0 305.334 1.475 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(N2CCOC3(CC[NH+](C)CC3)C2)c1 ZINC000591991767 355456015 /nfs/dbraw/zinc/45/60/15/355456015.db2.gz MMLBMJIBVGHCBP-UHFFFAOYSA-N 1 0 321.377 1.904 20 5 DDBDRO CCCc1n[nH]c(C(=O)N2CC[C@@H]([NH3+])[C@H](CC)C2)c1[N+](=O)[O-] ZINC000592332238 355560996 /nfs/dbraw/zinc/56/09/96/355560996.db2.gz IBHYNZFRMRFOPC-NXEZZACHSA-N 1 0 309.370 1.470 20 5 DDBDRO CC[C@@H]1CN(C(=O)CCn2nc(C)c([N+](=O)[O-])c2C)CC[C@@H]1[NH3+] ZINC000592332907 355561015 /nfs/dbraw/zinc/56/10/15/355561015.db2.gz ROLDDGQGTHANAY-OLZOCXBDSA-N 1 0 323.397 1.384 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCCC[C@H]2C2CCC2)c1 ZINC000592198750 355534362 /nfs/dbraw/zinc/53/43/62/355534362.db2.gz RUQZTPIGHVQUAO-CABCVRRESA-N 1 0 308.382 1.807 20 5 DDBDRO COc1ccc(CC(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)cc1[N+](=O)[O-] ZINC000592332284 355561335 /nfs/dbraw/zinc/56/13/35/355561335.db2.gz UXDCJCMKAWIXJZ-CMPLNLGQSA-N 1 0 307.350 1.260 20 5 DDBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000592475270 355593493 /nfs/dbraw/zinc/59/34/93/355593493.db2.gz GFJCZWOLKMRALP-WBMJQRKESA-N 1 0 323.393 1.930 20 5 DDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC(C)([NH3+])CC1 ZINC000592485269 355596038 /nfs/dbraw/zinc/59/60/38/355596038.db2.gz VRDVLXXTRHYSHA-LLVKDONJSA-N 1 0 306.366 1.735 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000592398175 355574958 /nfs/dbraw/zinc/57/49/58/355574958.db2.gz QSMYXMVEWILAFX-QWRGUYRKSA-N 1 0 315.395 1.616 20 5 DDBDRO O=C(N[C@H]1CCC[NH2+]CC1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000592543905 355622286 /nfs/dbraw/zinc/62/22/86/355622286.db2.gz XBLGVLIEAAAQDD-VIFPVBQESA-N 1 0 307.306 1.195 20 5 DDBDRO Cc1c(CN2CCN(CC[NH+](C)C)C(=O)C2)cccc1[N+](=O)[O-] ZINC000593052655 355780607 /nfs/dbraw/zinc/78/06/07/355780607.db2.gz SOOGYNREQQDEGM-UHFFFAOYSA-N 1 0 320.393 1.109 20 5 DDBDRO C[C@H](CNC(=O)Cc1ccc(F)cc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000593451073 355889051 /nfs/dbraw/zinc/88/90/51/355889051.db2.gz TWMVYQRTJJGIBD-LLVKDONJSA-N 1 0 309.341 1.877 20 5 DDBDRO O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CC[NH+](C2CCC2)CC1 ZINC000593471016 355895204 /nfs/dbraw/zinc/89/52/04/355895204.db2.gz VKWDWDPAMFJTMS-UHFFFAOYSA-N 1 0 321.352 1.973 20 5 DDBDRO [NH3+]CC1(CCNC(=O)NCCc2ccccc2[N+](=O)[O-])CC1 ZINC000593706535 355973072 /nfs/dbraw/zinc/97/30/72/355973072.db2.gz NJVYQQOHXBSUSZ-UHFFFAOYSA-N 1 0 306.366 1.566 20 5 DDBDRO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N(C)CC[NH+](C)C ZINC000080684826 192182287 /nfs/dbraw/zinc/18/22/87/192182287.db2.gz NPKGRPPMRUCHMS-UHFFFAOYSA-N 1 0 313.329 1.908 20 5 DDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000594523794 356242473 /nfs/dbraw/zinc/24/24/73/356242473.db2.gz DFLQOQZHHHITBJ-SNVBAGLBSA-N 1 0 320.271 1.626 20 5 DDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)C[NH2+]C ZINC000595122449 356386745 /nfs/dbraw/zinc/38/67/45/356386745.db2.gz SJPUZLRMWSFEGO-VIFPVBQESA-N 1 0 301.368 1.043 20 5 DDBDRO [NH3+]C1(C(=O)NCCNc2ccccc2[N+](=O)[O-])CC2(CCC2)C1 ZINC000595247821 356417104 /nfs/dbraw/zinc/41/71/04/356417104.db2.gz AIQTVYCCIMRHEP-UHFFFAOYSA-N 1 0 318.377 1.785 20 5 DDBDRO [NH3+][C@@H]1CN(C(=O)NCCc2cccc([N+](=O)[O-])c2)CC[C@H]1F ZINC000595264828 356425942 /nfs/dbraw/zinc/42/59/42/356425942.db2.gz QQSMNWCUSSYNPL-CHWSQXEVSA-N 1 0 310.329 1.218 20 5 DDBDRO Cc1noc(CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c1[N+](=O)[O-] ZINC000595389813 356475390 /nfs/dbraw/zinc/47/53/90/356475390.db2.gz PWTQEOXNWIPCEY-FRRDWIJNSA-N 1 0 324.381 1.575 20 5 DDBDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000177592508 198749086 /nfs/dbraw/zinc/74/90/86/198749086.db2.gz XUAVIGCCSUNLNB-NWDGAFQWSA-N 1 0 306.366 1.780 20 5 DDBDRO CNC(=O)[C@H](C)C[N@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000081527548 192282703 /nfs/dbraw/zinc/28/27/03/192282703.db2.gz TXNAAEADHMYQQJ-MNOVXSKESA-N 1 0 322.365 1.236 20 5 DDBDRO [NH3+]C[C@H]1CCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000347110705 283180749 /nfs/dbraw/zinc/18/07/49/283180749.db2.gz PSKNHWOCSDSJKX-SECBINFHSA-N 1 0 301.293 1.977 20 5 DDBDRO C[C@H](O)[C@H]1CCC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000595771468 356645935 /nfs/dbraw/zinc/64/59/35/356645935.db2.gz PJEUYFDCULYJAL-NJZAAPMLSA-N 1 0 310.350 1.180 20 5 DDBDRO C[C@H]([NH2+][C@H]1C[C@@H](O)C12CCC2)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000595779403 356649432 /nfs/dbraw/zinc/64/94/32/356649432.db2.gz DTFWRSANANFNLM-LEWSCRJBSA-N 1 0 319.361 1.815 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC2CC1(C[NH3+])C2 ZINC000595909383 356701813 /nfs/dbraw/zinc/70/18/13/356701813.db2.gz MGABBXNTRURIGX-UHFFFAOYSA-N 1 0 304.350 1.265 20 5 DDBDRO C[NH2+]C1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)CC1 ZINC000237103513 202156011 /nfs/dbraw/zinc/15/60/11/202156011.db2.gz LAERWMRVGDYQCE-UHFFFAOYSA-N 1 0 313.379 1.276 20 5 DDBDRO COc1ccc(CC(=O)NCC[C@@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000595950067 356719865 /nfs/dbraw/zinc/71/98/65/356719865.db2.gz JLEXAZTWWZRNMM-GFCCVEGCSA-N 1 0 309.366 1.636 20 5 DDBDRO [NH3+]C[C@@H]1OCC[C@H]1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000595938549 356713686 /nfs/dbraw/zinc/71/36/86/356713686.db2.gz YQMPHEUEPUICOK-CABCVRRESA-N 1 0 321.377 1.398 20 5 DDBDRO C[C@@H](Nc1ccc([N+](=O)[O-])c(N2CCOCC2)c1F)[C@H](C)[NH3+] ZINC000596014652 356746744 /nfs/dbraw/zinc/74/67/44/356746744.db2.gz UMDNNMHPDDLOBF-VHSXEESVSA-N 1 0 312.345 1.718 20 5 DDBDRO CCCN1CC[C@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000596066131 356759598 /nfs/dbraw/zinc/75/95/98/356759598.db2.gz PLQUGNHAFRHSRE-DZGCQCFKSA-N 1 0 323.393 1.408 20 5 DDBDRO CCN1CC[NH+](C[C@@H](C)CNc2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596081381 356766061 /nfs/dbraw/zinc/76/60/61/356766061.db2.gz HJJBZXJHDXABDO-LBPRGKRZSA-N 1 0 323.397 1.381 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1NCCC[NH+]1CCC(O)CC1)CCN2 ZINC000596085969 356767426 /nfs/dbraw/zinc/76/74/26/356767426.db2.gz QRWVNQJEJZVGLL-UHFFFAOYSA-N 1 0 320.393 1.822 20 5 DDBDRO CC(C)(C)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596336035 356860349 /nfs/dbraw/zinc/86/03/49/356860349.db2.gz KZGKBECPQAIGHK-LLVKDONJSA-N 1 0 306.366 1.978 20 5 DDBDRO C[C@@H](CN(C)CCC[NH+](C)C)Nc1ncc([N+](=O)[O-])cc1F ZINC000596363616 356864145 /nfs/dbraw/zinc/86/41/45/356864145.db2.gz SWBLQAMFNOTGMI-NSHDSACASA-N 1 0 313.377 1.813 20 5 DDBDRO Cc1ccnc(N2CCO[C@H](CCC[NH+](C)C)C2)c1[N+](=O)[O-] ZINC000596565144 356918819 /nfs/dbraw/zinc/91/88/19/356918819.db2.gz BWBBIGXCMLADGT-CYBMUJFWSA-N 1 0 308.382 1.845 20 5 DDBDRO O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CCOC2(C[NH2+]C2)C1 ZINC000596578986 356922928 /nfs/dbraw/zinc/92/29/28/356922928.db2.gz DNAPBCLDUNTZSQ-UHFFFAOYSA-N 1 0 311.725 1.063 20 5 DDBDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000596816587 356984476 /nfs/dbraw/zinc/98/44/76/356984476.db2.gz KGPGUZMOOLBBEW-LBPRGKRZSA-N 1 0 321.381 1.654 20 5 DDBDRO COc1cc(C[NH2+]C[C@H](C)Cn2ccnc2)c([N+](=O)[O-])cc1O ZINC000237257573 202208067 /nfs/dbraw/zinc/20/80/67/202208067.db2.gz STIKUUHCCRRFJR-NSHDSACASA-N 1 0 320.349 1.931 20 5 DDBDRO O=C(NCC12CCC[NH+]1CCC2)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000597588200 357239792 /nfs/dbraw/zinc/23/97/92/357239792.db2.gz GWUSYRDBBJPIQJ-UHFFFAOYSA-N 1 0 306.322 1.054 20 5 DDBDRO O=C(COc1ccccc1[N+](=O)[O-])NCC12CCC[NH+]1CCC2 ZINC000597586345 357239860 /nfs/dbraw/zinc/23/98/60/357239860.db2.gz AUGSPDKQAABEOE-UHFFFAOYSA-N 1 0 319.361 1.718 20 5 DDBDRO COc1c(C(=O)N2CCC3(C[NH+](C)C3)C2)cccc1[N+](=O)[O-] ZINC000597569470 357232129 /nfs/dbraw/zinc/23/21/29/357232129.db2.gz WLPMJXICDVTIAN-UHFFFAOYSA-N 1 0 305.334 1.381 20 5 DDBDRO C[NH+](C)CC1CN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000597706153 357293539 /nfs/dbraw/zinc/29/35/39/357293539.db2.gz OYDFNWZMEXTDOM-LSDHHAIUSA-N 1 0 303.362 1.718 20 5 DDBDRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000597604824 357250955 /nfs/dbraw/zinc/25/09/55/357250955.db2.gz KYDYMKLSRWRAFE-GFCCVEGCSA-N 1 0 307.350 1.857 20 5 DDBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](CO)C[NH+](C)C ZINC000597653276 357270081 /nfs/dbraw/zinc/27/00/81/357270081.db2.gz IQQHRJJOVGIIGO-KBPBESRZSA-N 1 0 323.393 1.202 20 5 DDBDRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000597858786 357361327 /nfs/dbraw/zinc/36/13/27/357361327.db2.gz OZTGKSTVTHGQOB-ZDUSSCGKSA-N 1 0 321.377 1.963 20 5 DDBDRO Cc1nn(CCC(=O)NCC[C@H](C)[NH+](C)C)c(C)c1[N+](=O)[O-] ZINC000597994499 357410999 /nfs/dbraw/zinc/41/09/99/357410999.db2.gz ZFVVZVMFISOZOX-JTQLQIEISA-N 1 0 311.386 1.255 20 5 DDBDRO CN(CC1C[NH+](C)C1)C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000598161225 357478721 /nfs/dbraw/zinc/47/87/21/357478721.db2.gz CXGVRVAGOLSRRL-UHFFFAOYSA-N 1 0 311.769 1.811 20 5 DDBDRO CCC[N@@H+]1CC[C@H](NC(=O)COc2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000598341824 357544248 /nfs/dbraw/zinc/54/42/48/357544248.db2.gz GLCYCXTYRZPEGH-ZDUSSCGKSA-N 1 0 321.377 1.883 20 5 DDBDRO CCC[N@@H+]1CC[C@H](NC(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000598342052 357544263 /nfs/dbraw/zinc/54/42/63/357544263.db2.gz CNGAUUSPDFLLBU-ZDUSSCGKSA-N 1 0 320.393 1.997 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@H](C)[C@@H](CO)C2)c1 ZINC000598649096 357670282 /nfs/dbraw/zinc/67/02/82/357670282.db2.gz VLVYQGHSLOKOAF-SMDDNHRTSA-N 1 0 322.361 1.832 20 5 DDBDRO CC(C)(C)[C@H](C[NH3+])NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598913575 357756515 /nfs/dbraw/zinc/75/65/15/357756515.db2.gz MTLYTWDKKOGVNO-NSHDSACASA-N 1 0 308.338 1.023 20 5 DDBDRO O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000598916317 357757898 /nfs/dbraw/zinc/75/78/98/357757898.db2.gz XTMGUBIVIAKQMU-SKDRFNHKSA-N 1 0 308.313 1.950 20 5 DDBDRO C[C@H](O)C[NH+]1CCN(c2ccc3cnccc3c2[N+](=O)[O-])CC1 ZINC000599040989 357800233 /nfs/dbraw/zinc/80/02/33/357800233.db2.gz OWPWRHNIGZIMFN-LBPRGKRZSA-N 1 0 316.361 1.646 20 5 DDBDRO O=C1CC[C@@H]2CN(c3ccc4cnccc4c3[N+](=O)[O-])CCN12 ZINC000599065740 357806025 /nfs/dbraw/zinc/80/60/25/357806025.db2.gz QTKFWFAXMOBEFC-GFCCVEGCSA-N 1 0 312.329 1.954 20 5 DDBDRO CC(C)(C)OC(=O)[C@@]1(C)CCCN1CCn1cc([N+](=O)[O-])cn1 ZINC000599494164 357956093 /nfs/dbraw/zinc/95/60/93/357956093.db2.gz FIIWSHZIKUUEGE-OAHLLOKOSA-N 1 0 324.381 1.988 20 5 DDBDRO CCN(C(=O)c1c([N+](=O)[O-])c(C)nn1C)C1CC[NH+](C)CC1 ZINC000599985342 358096609 /nfs/dbraw/zinc/09/66/09/358096609.db2.gz CLVONZMTGVLAEI-UHFFFAOYSA-N 1 0 309.370 1.193 20 5 DDBDRO O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000600469599 358232380 /nfs/dbraw/zinc/23/23/80/358232380.db2.gz CQUWBUNZCMNDQL-ZDUSSCGKSA-N 1 0 321.381 1.315 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CC[C@H]2CCCOC2)c1 ZINC000600747586 358305914 /nfs/dbraw/zinc/30/59/14/358305914.db2.gz YZUVRSSTMOQUOS-UKRRQHHQSA-N 1 0 324.377 1.741 20 5 DDBDRO COc1ccc(C(=O)N2CCC[C@H]3C[NH2+]CC[C@H]32)cc1[N+](=O)[O-] ZINC000601556446 358599216 /nfs/dbraw/zinc/59/92/16/358599216.db2.gz LPLLYIOMIFOUHY-QWHCGFSZSA-N 1 0 319.361 1.818 20 5 DDBDRO C[N@@H+]1CCC[C@H]1C(=O)N[C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000601777813 358691256 /nfs/dbraw/zinc/69/12/56/358691256.db2.gz LMZMPZYIYWHGGL-DZGCQCFKSA-N 1 0 307.350 1.013 20 5 DDBDRO C[NH+](C)[C@@H]1C[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000602170147 358861775 /nfs/dbraw/zinc/86/17/75/358861775.db2.gz IKTXFVYMAOAQJL-UONOGXRCSA-N 1 0 305.378 1.982 20 5 DDBDRO C[C@@H]1CC[C@@H](NC(=O)CSc2ccc([N+](=O)[O-])cc2)C[NH2+]1 ZINC000602551739 359041775 /nfs/dbraw/zinc/04/17/75/359041775.db2.gz DSLRCRHZVLTDBP-GHMZBOCLSA-N 1 0 309.391 1.944 20 5 DDBDRO O=C(NC[C@H]1COCC[NH2+]1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000602558087 359045094 /nfs/dbraw/zinc/04/50/94/359045094.db2.gz RBXFEYRHLYHCNR-JTQLQIEISA-N 1 0 321.358 1.528 20 5 DDBDRO Cn1cc(CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c([N+](=O)[O-])n1 ZINC000602488147 359012929 /nfs/dbraw/zinc/01/29/29/359012929.db2.gz SKAOFMDZLPETNX-MGPQQGTHSA-N 1 0 323.397 1.012 20 5 DDBDRO CC1(C)[C@H](O)C[C@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602620239 359079252 /nfs/dbraw/zinc/07/92/52/359079252.db2.gz AAPVKGQMYUWFNR-ZIAGYGMSSA-N 1 0 320.393 1.708 20 5 DDBDRO COc1ccc(CC(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-] ZINC000602589553 359058916 /nfs/dbraw/zinc/05/89/16/359058916.db2.gz FHVUFOLTYDVGOD-TXEJJXNPSA-N 1 0 305.334 1.109 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000602835138 359226964 /nfs/dbraw/zinc/22/69/64/359226964.db2.gz XVKOMGXTCAAMNZ-JSGCOSHPSA-N 1 0 308.382 1.989 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)C[C@H](O)Cc1ccccc1 ZINC000602840423 359229650 /nfs/dbraw/zinc/22/96/50/359229650.db2.gz MWBQJCRIZMZUJH-OAHLLOKOSA-N 1 0 318.377 1.635 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@H]1[C@@H]1CCCOC1 ZINC000602851685 359239076 /nfs/dbraw/zinc/23/90/76/359239076.db2.gz CAFQMLHOOUUXRD-KGLIPLIRSA-N 1 0 308.382 1.991 20 5 DDBDRO CC(C)OC(=O)C[C@@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])C(C)C ZINC000602872115 359256218 /nfs/dbraw/zinc/25/62/18/359256218.db2.gz CSORXDSOJOZWQM-GFCCVEGCSA-N 1 0 312.370 1.784 20 5 DDBDRO CCC[C@@]1(C)C(=O)NCCN1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602816807 359211566 /nfs/dbraw/zinc/21/15/66/359211566.db2.gz PHSJKIKQAYZDES-AWEZNQCLSA-N 1 0 309.370 1.090 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000618447867 363637723 /nfs/dbraw/zinc/63/77/23/363637723.db2.gz TXMUNDVMEOPSTJ-UHFFFAOYSA-N 1 0 317.349 1.914 20 5 DDBDRO C[C@](CO)([NH2+]CCO[C@@H]1CCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000602962379 359325197 /nfs/dbraw/zinc/32/51/97/359325197.db2.gz KCLKSMMDDYETHZ-HZPDHXFCSA-N 1 0 324.377 1.935 20 5 DDBDRO C[C@@](CO)([NH2+]CCCN1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000602962644 359325764 /nfs/dbraw/zinc/32/57/64/359325764.db2.gz NFHFSCYZNUJSKR-INIZCTEOSA-N 1 0 323.393 1.114 20 5 DDBDRO C[C@@](CO)([NH2+]C[C@H](O)CC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000602963450 359326693 /nfs/dbraw/zinc/32/66/93/359326693.db2.gz VTUMVNLTHRAUEQ-NEPJUHHUSA-N 1 0 322.283 1.705 20 5 DDBDRO C[C@@](CO)([NH2+]CCn1cc(Cl)cn1)c1cccc([N+](=O)[O-])c1 ZINC000602962984 359326814 /nfs/dbraw/zinc/32/68/14/359326814.db2.gz QSOCOIRDQXFEQJ-AWEZNQCLSA-N 1 0 324.768 1.942 20 5 DDBDRO CCOc1cc(C[N@@H+]2C[C@@H](OC)C[C@@]2(C)CO)ccc1[N+](=O)[O-] ZINC000602964943 359329176 /nfs/dbraw/zinc/32/91/76/359329176.db2.gz WNRYUACUJOVMMJ-BBRMVZONSA-N 1 0 324.377 1.965 20 5 DDBDRO CC[C@@]1(O)CCC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000602982685 359337738 /nfs/dbraw/zinc/33/77/38/359337738.db2.gz WUAJRYJQQFKXQC-GDBMZVCRSA-N 1 0 324.377 1.571 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000603089710 359395995 /nfs/dbraw/zinc/39/59/95/359395995.db2.gz SRIRMYCVPHLTPX-NHYWBVRUSA-N 1 0 305.334 1.298 20 5 DDBDRO COc1cc(Cn2cc(CC[NH+](C)C)nn2)c([N+](=O)[O-])cc1F ZINC000603234958 359503325 /nfs/dbraw/zinc/50/33/25/359503325.db2.gz DUENAORQAXNGOS-UHFFFAOYSA-N 1 0 323.328 1.486 20 5 DDBDRO CC[NH2+]Cc1cn(Cc2ccc([N+](=O)[O-])c(OCC)c2)nn1 ZINC000603235946 359504404 /nfs/dbraw/zinc/50/44/04/359504404.db2.gz GWHCUKHXXDHJRI-UHFFFAOYSA-N 1 0 305.338 1.743 20 5 DDBDRO COc1cc(Cn2cc(C3CC[NH2+]CC3)nn2)ccc1[N+](=O)[O-] ZINC000603244322 359511026 /nfs/dbraw/zinc/51/10/26/359511026.db2.gz SROVGPCINBLNFV-UHFFFAOYSA-N 1 0 317.349 1.710 20 5 DDBDRO CNS(=O)(=O)CC[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000187178524 200072376 /nfs/dbraw/zinc/07/23/76/200072376.db2.gz IGCIVIDEUGCVAD-LLVKDONJSA-N 1 0 315.395 1.055 20 5 DDBDRO CC(C)[NH+]1CCN(CCCn2cccc([N+](=O)[O-])c2=O)CC1 ZINC000188307005 200225471 /nfs/dbraw/zinc/22/54/71/200225471.db2.gz OREHBWYYDZOTDK-UHFFFAOYSA-N 1 0 308.382 1.173 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)NC[C@H]1CCC[NH2+]C1 ZINC000237722309 202338549 /nfs/dbraw/zinc/33/85/49/202338549.db2.gz GKKXGHPXLNBVFA-JTQLQIEISA-N 1 0 311.313 1.229 20 5 DDBDRO [NH3+]C1(CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CCCCC1 ZINC000237837123 202366479 /nfs/dbraw/zinc/36/64/79/202366479.db2.gz XEVKQRLAYGNYEQ-UHFFFAOYSA-N 1 0 322.321 1.894 20 5 DDBDRO COCC[N@@H+]1CCC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000609269444 360286058 /nfs/dbraw/zinc/28/60/58/360286058.db2.gz QPVCPWUCNSVRDW-ZDUSSCGKSA-N 1 0 307.350 1.435 20 5 DDBDRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000609448292 360307760 /nfs/dbraw/zinc/30/77/60/360307760.db2.gz HZTXZRVNUVZTTQ-CYBMUJFWSA-N 1 0 307.325 1.948 20 5 DDBDRO CN(C)C(=O)CC[NH+]1CCC(Nc2cccnc2[N+](=O)[O-])CC1 ZINC000609449013 360307830 /nfs/dbraw/zinc/30/78/30/360307830.db2.gz HAKUQBMYGMQIJA-UHFFFAOYSA-N 1 0 321.381 1.344 20 5 DDBDRO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CC[C@@]3(CCOC3)C1)OCCO2 ZINC000611275641 360687301 /nfs/dbraw/zinc/68/73/01/360687301.db2.gz PMGWRLMSVRSWEQ-MRXNPFEDSA-N 1 0 320.345 1.978 20 5 DDBDRO COc1cc(C(=O)NCC2=CC[N@H+](C)CC2)ccc1[N+](=O)[O-] ZINC000271896131 209304977 /nfs/dbraw/zinc/30/49/77/209304977.db2.gz FWGDCZYIWPXJCU-UHFFFAOYSA-N 1 0 305.334 1.595 20 5 DDBDRO Cc1ccc(C)c(S(=O)(=O)NC(C)(C)C[NH3+])c1[N+](=O)[O-] ZINC000193261936 201015532 /nfs/dbraw/zinc/01/55/32/201015532.db2.gz NCXINRKOGZQUTC-UHFFFAOYSA-N 1 0 301.368 1.227 20 5 DDBDRO Nc1nc(N2CCCC[C@H]([NH+]3CCCC3)C2)ncc1[N+](=O)[O-] ZINC000264600428 283687968 /nfs/dbraw/zinc/68/79/68/283687968.db2.gz NJQXBDNNRIRXAA-NSHDSACASA-N 1 0 306.370 1.422 20 5 DDBDRO Cc1cc([C@@H](C)[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c(C)o1 ZINC000195269184 201369059 /nfs/dbraw/zinc/36/90/59/201369059.db2.gz OVUOJSOKKALNDF-MFKMUULPSA-N 1 0 308.338 1.713 20 5 DDBDRO COc1c(C(=O)NC2CC[NH+](C3CC3)CC2)cccc1[N+](=O)[O-] ZINC000619425424 364004088 /nfs/dbraw/zinc/00/40/88/364004088.db2.gz VKTWPHNGNXPRJG-UHFFFAOYSA-N 1 0 319.361 1.960 20 5 DDBDRO Cc1nccc(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])n1 ZINC000619705875 364122433 /nfs/dbraw/zinc/12/24/33/364122433.db2.gz LRUWKTVIUMRPEM-UHFFFAOYSA-N 1 0 315.333 1.812 20 5 DDBDRO COC(=O)c1cc(C(=O)NC2CC([NH+](C)C)C2)cc([N+](=O)[O-])c1 ZINC000619872641 364170742 /nfs/dbraw/zinc/17/07/42/364170742.db2.gz DCSZVCYXUZNTSU-UHFFFAOYSA-N 1 0 321.333 1.204 20 5 DDBDRO CC(C)[C@H](O)CC[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000566234723 304131367 /nfs/dbraw/zinc/13/13/67/304131367.db2.gz UMJYJGCOXJDPFQ-DZGCQCFKSA-N 1 0 312.366 1.331 20 5 DDBDRO C[C@H](CC[NH3+])NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000349934493 284110315 /nfs/dbraw/zinc/11/03/15/284110315.db2.gz HIRFYLAYZAJCOU-SSDOTTSWSA-N 1 0 316.155 1.824 20 5 DDBDRO O=C(N[C@@H]1C[NH2+]CCC1(F)F)c1ccc([N+](=O)[O-])cc1Cl ZINC000449658769 284125556 /nfs/dbraw/zinc/12/55/56/284125556.db2.gz UIOYTHRHRJVDMG-SNVBAGLBSA-N 1 0 319.695 1.975 20 5 DDBDRO [NH3+]C[C@@H]1CCN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000262046694 203182228 /nfs/dbraw/zinc/18/22/28/203182228.db2.gz GVYZPAWSLUIEPS-NSHDSACASA-N 1 0 315.333 1.201 20 5 DDBDRO O=[N+]([O-])c1cccc(C[NH2+]CCC2CCS(=O)(=O)CC2)c1 ZINC000350740942 284252746 /nfs/dbraw/zinc/25/27/46/284252746.db2.gz ATJLBTCWYHCIMF-UHFFFAOYSA-N 1 0 312.391 1.899 20 5 DDBDRO C[NH+](C)[C@H]1CCCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000264644604 204051648 /nfs/dbraw/zinc/05/16/48/204051648.db2.gz WKEUVBALJHIGPS-LSDHHAIUSA-N 1 0 323.393 1.361 20 5 DDBDRO C[C@]1(CO)CCC[C@@H]1[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000351496140 284344599 /nfs/dbraw/zinc/34/45/99/284344599.db2.gz SFQNDULBYGUKCK-CWRNSKLLSA-N 1 0 324.377 1.475 20 5 DDBDRO [NH3+][C@@H]1CC[C@H]2CN(Cc3nc4cc([N+](=O)[O-])ccc4o3)C[C@@H]12 ZINC000351494572 284343283 /nfs/dbraw/zinc/34/32/83/284343283.db2.gz OHHWOTVIOMDMFD-MVWJERBFSA-N 1 0 302.334 1.905 20 5 DDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)NCCC[NH+]1CCC(O)CC1 ZINC000266223636 205196258 /nfs/dbraw/zinc/19/62/58/205196258.db2.gz QVHKTOIGNAYJCQ-UHFFFAOYSA-N 1 0 321.377 1.100 20 5 DDBDRO COC(=O)CC[C@H]([NH3+])C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000288495807 220180605 /nfs/dbraw/zinc/18/06/05/220180605.db2.gz AWXQXYZWSGVNLM-CABZTGNLSA-N 1 0 309.322 1.053 20 5 DDBDRO C[NH+](C)C[C@@H]1CCCN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000267455385 206077866 /nfs/dbraw/zinc/07/78/66/206077866.db2.gz GKHJLOPPLPLRDA-LBPRGKRZSA-N 1 0 306.366 1.559 20 5 DDBDRO CC(C)[NH+]1CCC(N(C)C(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000330803285 248866434 /nfs/dbraw/zinc/86/64/34/248866434.db2.gz FJCLGAVAIQLXRS-UHFFFAOYSA-N 1 0 321.381 1.517 20 5 DDBDRO C[C@H]([NH2+]CCC(=O)N1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000336860313 249267924 /nfs/dbraw/zinc/26/79/24/249267924.db2.gz PVDWRCKVHJQQFQ-LBPRGKRZSA-N 1 0 307.350 1.494 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@H]2CCCC[C@@H]2OC(F)F)c1 ZINC000337405675 249479553 /nfs/dbraw/zinc/47/95/53/249479553.db2.gz LRZPTENFRDZEAF-QWRGUYRKSA-N 1 0 304.297 1.931 20 5 DDBDRO Cc1ccc(S(=O)(=O)NCC2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000044509134 183416842 /nfs/dbraw/zinc/41/68/42/183416842.db2.gz ZPONKGAWQXUVJI-UHFFFAOYSA-N 1 0 313.379 1.181 20 5 DDBDRO Cc1ccc(S(=O)(=O)N2CCC[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000044528909 183418533 /nfs/dbraw/zinc/41/85/33/183418533.db2.gz RXVKVDMSIFRGPV-LLVKDONJSA-N 1 0 313.379 1.263 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000268278942 206604576 /nfs/dbraw/zinc/60/45/76/206604576.db2.gz WUSBWOKCUIEELZ-MFKMUULPSA-N 1 0 321.381 1.089 20 5 DDBDRO C[NH+](C)C[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000274002884 211259888 /nfs/dbraw/zinc/25/98/88/211259888.db2.gz UABJTLHGWBRTOX-LBPRGKRZSA-N 1 0 313.379 1.310 20 5 DDBDRO CO[C@H]1C[C@@H](CN(C)c2c3c(ccc2[N+](=O)[O-])NCC3)[N@H+](C)C1 ZINC000284527695 218064809 /nfs/dbraw/zinc/06/48/09/218064809.db2.gz KRONLJAVAXMJJF-RYUDHWBXSA-N 1 0 320.393 1.718 20 5 DDBDRO Cc1c(C[N@H+]2CC[C@H]3OCCN(C)[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000284699808 218138960 /nfs/dbraw/zinc/13/89/60/218138960.db2.gz IJXQQJVAFCZVEJ-HZPDHXFCSA-N 1 0 305.378 1.808 20 5 DDBDRO COc1cc(N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000285209737 218334887 /nfs/dbraw/zinc/33/48/87/218334887.db2.gz WYZSXQOYXVBSFE-ZIAGYGMSSA-N 1 0 307.350 1.513 20 5 DDBDRO C[N@@H+]1CC[C@H](CNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000109992417 194303248 /nfs/dbraw/zinc/30/32/48/194303248.db2.gz HDSYLTDERZKPPQ-SECBINFHSA-N 1 0 303.322 1.153 20 5 DDBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000110609634 194342653 /nfs/dbraw/zinc/34/26/53/194342653.db2.gz KWJLLDGALFWUMG-GFCCVEGCSA-N 1 0 306.366 1.607 20 5 DDBDRO O=C(CN1CCC[NH2+]CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000061270499 184167439 /nfs/dbraw/zinc/16/74/39/184167439.db2.gz ARBPXOMGQQYMAY-UHFFFAOYSA-N 1 0 312.757 1.482 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NCCC[NH+]1CCCC1 ZINC000061548160 184174509 /nfs/dbraw/zinc/17/45/09/184174509.db2.gz HTMSPSWZWJXZDJ-UHFFFAOYSA-N 1 0 307.350 1.819 20 5 DDBDRO Cc1nn(C)c(C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c1[N+](=O)[O-] ZINC000269104757 207243598 /nfs/dbraw/zinc/24/35/98/207243598.db2.gz BLXKJRCGHSHNLZ-VXGBXAGGSA-N 1 0 321.381 1.193 20 5 DDBDRO C[NH2+]C[C@H]1CCCCN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000063168012 184275876 /nfs/dbraw/zinc/27/58/76/184275876.db2.gz FMWHVQGOJULLLD-LLVKDONJSA-N 1 0 313.379 1.357 20 5 DDBDRO CC(C)(C(=O)NCC[C@@H]1CC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000269171539 207293080 /nfs/dbraw/zinc/29/30/80/207293080.db2.gz IYFZMIFBJFPSKW-LBPRGKRZSA-N 1 0 305.378 1.988 20 5 DDBDRO O=C(C[C@H]1C[NH2+]CCO1)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000269253261 207392140 /nfs/dbraw/zinc/39/21/40/207392140.db2.gz UVOYSYQQIVFBOP-NSHDSACASA-N 1 0 313.741 1.243 20 5 DDBDRO COc1cc(C[N@@H+]2CCCC[C@H]2CC(N)=O)ccc1[N+](=O)[O-] ZINC000352407569 285030136 /nfs/dbraw/zinc/03/01/36/285030136.db2.gz VLFYHSXPEXHJNC-LBPRGKRZSA-N 1 0 307.350 1.833 20 5 DDBDRO O=C1OCC[C@H]1CC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000119986754 195075745 /nfs/dbraw/zinc/07/57/45/195075745.db2.gz ROMKRKPMMAGSMA-CYBMUJFWSA-N 1 0 319.361 1.670 20 5 DDBDRO C[NH2+][C@H]1CCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000430629251 533038492 /nfs/dbraw/zinc/03/84/92/533038492.db2.gz WCYIYKVXYSDXIC-JTQLQIEISA-N 1 0 312.757 1.480 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CCCO)CC2)c2ncccc12 ZINC000270269080 208335922 /nfs/dbraw/zinc/33/59/22/208335922.db2.gz JYSGRGXFHPHFTD-UHFFFAOYSA-N 1 0 316.361 1.647 20 5 DDBDRO CCS(=O)(=O)NCC[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000158354268 197265169 /nfs/dbraw/zinc/26/51/69/197265169.db2.gz IFPSHDUDBAMOFS-LLVKDONJSA-N 1 0 315.395 1.493 20 5 DDBDRO O=C(c1n[nH]cc1[N+](=O)[O-])N1CC[NH+](C2CCCCC2)CC1 ZINC000157962720 197231550 /nfs/dbraw/zinc/23/15/50/197231550.db2.gz AQEOFMKZRMDKQP-UHFFFAOYSA-N 1 0 307.354 1.408 20 5 DDBDRO C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000155468373 197057614 /nfs/dbraw/zinc/05/76/14/197057614.db2.gz ITJSXGXXTVQNPJ-BETUJISGSA-N 1 0 321.377 1.915 20 5 DDBDRO C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000155468587 197057571 /nfs/dbraw/zinc/05/75/71/197057571.db2.gz ITJSXGXXTVQNPJ-CHWSQXEVSA-N 1 0 321.377 1.915 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@@H](CO)C1CCCC1 ZINC000289480134 221005023 /nfs/dbraw/zinc/00/50/23/221005023.db2.gz ISYCNJOIEXWZDK-KBPBESRZSA-N 1 0 324.377 1.475 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000417185510 533220957 /nfs/dbraw/zinc/22/09/57/533220957.db2.gz SARAKGYTWKEJBZ-ZWNOBZJWSA-N 1 0 322.365 1.482 20 5 DDBDRO COc1ccc(CNC(=O)[C@H]2CC[NH2+][C@@H]2C(C)C)cc1[N+](=O)[O-] ZINC000289855104 221270723 /nfs/dbraw/zinc/27/07/23/221270723.db2.gz GBWDYVAKHBLVDO-SWLSCSKDSA-N 1 0 321.377 1.854 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000414650528 533224825 /nfs/dbraw/zinc/22/48/25/533224825.db2.gz DHJDJUUJPGQJAH-GFCCVEGCSA-N 1 0 320.349 1.962 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000121056626 195288973 /nfs/dbraw/zinc/28/89/73/195288973.db2.gz CYWCVXRBMAGIBZ-WCQYABFASA-N 1 0 323.397 1.288 20 5 DDBDRO COc1ccc(CNC(=O)N2CC[NH2+][C@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000417175997 533603171 /nfs/dbraw/zinc/60/31/71/533603171.db2.gz BRVNSOIQOAPCKG-MNOVXSKESA-N 1 0 322.365 1.495 20 5 DDBDRO COc1ccc(C[NH+]2CCC3(CNC(=O)C3)CC2)cc1[N+](=O)[O-] ZINC000353704000 285879920 /nfs/dbraw/zinc/87/99/20/285879920.db2.gz MVETZZZOECRQLG-UHFFFAOYSA-N 1 0 319.361 1.706 20 5 DDBDRO COC(=O)COc1ccc(C[NH2+]C2CCOCC2)cc1[N+](=O)[O-] ZINC000353733769 285896712 /nfs/dbraw/zinc/89/67/12/285896712.db2.gz AWWVGFTXJOUVDJ-UHFFFAOYSA-N 1 0 324.333 1.415 20 5 DDBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000077359246 406986550 /nfs/dbraw/zinc/98/65/50/406986550.db2.gz UHQIYVSIPDLDPR-CYBMUJFWSA-N 1 0 319.361 1.389 20 5 DDBDRO CC(C)[C@H](CNc1ncccc1[N+](=O)[O-])[NH+]1CCN(C)CC1 ZINC000045851954 407049860 /nfs/dbraw/zinc/04/98/60/407049860.db2.gz CMFBKZHZJSNQHI-AWEZNQCLSA-N 1 0 307.398 1.674 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000086468684 407112906 /nfs/dbraw/zinc/11/29/06/407112906.db2.gz KJBOSXJWUWTAKI-MNOVXSKESA-N 1 0 313.379 1.274 20 5 DDBDRO CC(C)C[NH+]1CCC(NC(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000047634689 407078574 /nfs/dbraw/zinc/07/85/74/407078574.db2.gz VTPDHYSODRIFEQ-UHFFFAOYSA-N 1 0 309.370 1.028 20 5 DDBDRO CC[N@@H+]1CCC[C@@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000052556126 407152680 /nfs/dbraw/zinc/15/26/80/407152680.db2.gz HOLXGRGRZUYEFY-CYBMUJFWSA-N 1 0 306.366 1.878 20 5 DDBDRO Cc1cc(C(=O)N[C@H](C)CN2CC[NH+](C)CC2)cc([N+](=O)[O-])c1 ZINC000106818127 407361548 /nfs/dbraw/zinc/36/15/48/407361548.db2.gz NWRMNEDIQQFKIQ-CYBMUJFWSA-N 1 0 320.393 1.269 20 5 DDBDRO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000106919702 407366910 /nfs/dbraw/zinc/36/69/10/407366910.db2.gz NZRYZTRRNRLLFA-SNVBAGLBSA-N 1 0 320.349 1.442 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C[C@@H](C)O)C(C)C ZINC000107043094 407368425 /nfs/dbraw/zinc/36/84/25/407368425.db2.gz OUKSESGIEFHOKF-GFCCVEGCSA-N 1 0 309.366 1.933 20 5 DDBDRO O=[N+]([O-])c1ccn(CCN2CCO[C@@H](c3ccsc3)C2)n1 ZINC000125796339 407397937 /nfs/dbraw/zinc/39/79/37/407397937.db2.gz FWCADELURJYJAU-GFCCVEGCSA-N 1 0 308.363 1.926 20 5 DDBDRO Cc1c(C(=O)N[C@@H]2CC[NH2+]C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000127133576 407428310 /nfs/dbraw/zinc/42/83/10/407428310.db2.gz VSRONWRSKCVQML-SECBINFHSA-N 1 0 308.294 1.212 20 5 DDBDRO CCC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC[N@@H+]1CCOC ZINC000271006143 407465052 /nfs/dbraw/zinc/46/50/52/407465052.db2.gz YACOKLAJNPOHPH-LBPRGKRZSA-N 1 0 324.381 1.496 20 5 DDBDRO [NH3+]C[C@@H]1CCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000178514715 407478480 /nfs/dbraw/zinc/47/84/80/407478480.db2.gz JKTAZCNHYZFJKC-NSHDSACASA-N 1 0 315.333 1.201 20 5 DDBDRO Cc1c(C(=O)N2CC[C@H](C[NH3+])C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000178565238 407494501 /nfs/dbraw/zinc/49/45/01/407494501.db2.gz RBPRYVJJYVNTLN-SECBINFHSA-N 1 0 308.294 1.232 20 5 DDBDRO C[C@@H]1C[C@H](N(C)C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC[N@@H+]1C ZINC000127574294 407442926 /nfs/dbraw/zinc/44/29/26/407442926.db2.gz HOTGFEGXIAZZMS-MWLCHTKSSA-N 1 0 324.356 1.871 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000128236221 407514639 /nfs/dbraw/zinc/51/46/39/407514639.db2.gz TYMKZIVNRCDIGN-CYBMUJFWSA-N 1 0 318.377 1.856 20 5 DDBDRO C[C@@H]([NH3+])C1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000178828366 407615966 /nfs/dbraw/zinc/61/59/66/407615966.db2.gz ZIENVFLYMKHDLA-SECBINFHSA-N 1 0 322.321 1.702 20 5 DDBDRO COCC[N@H+](C)CCNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000171200834 407628283 /nfs/dbraw/zinc/62/82/83/407628283.db2.gz SOQNTCRHCLMWFC-UHFFFAOYSA-N 1 0 324.381 1.015 20 5 DDBDRO COCCC[N@H+](C)CCNC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000152429367 407632719 /nfs/dbraw/zinc/63/27/19/407632719.db2.gz WKSFXKXJSOPYFA-UHFFFAOYSA-N 1 0 309.366 1.601 20 5 DDBDRO Cc1ccc(CN2CC[NH+](CC(C)(C)O)CC2)cc1[N+](=O)[O-] ZINC000129966190 407640618 /nfs/dbraw/zinc/64/06/18/407640618.db2.gz WBKPBBUDXNCBND-UHFFFAOYSA-N 1 0 307.394 1.792 20 5 DDBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)CCc1cnccn1 ZINC000271334515 407640791 /nfs/dbraw/zinc/64/07/91/407640791.db2.gz MGQPCKJPHHNWGU-UHFFFAOYSA-N 1 0 302.334 1.938 20 5 DDBDRO Cn1cc([N+](=O)[O-])c(C(=O)NC[C@H](c2ccsc2)[NH+](C)C)n1 ZINC000271432138 407682914 /nfs/dbraw/zinc/68/29/14/407682914.db2.gz RTIYOIXQKAYSIP-SNVBAGLBSA-N 1 0 323.378 1.423 20 5 DDBDRO Cc1cccc(C(=O)N2C[C@H]3OCCN(C)[C@H]3C2)c1[N+](=O)[O-] ZINC000152874512 407705953 /nfs/dbraw/zinc/70/59/53/407705953.db2.gz PGUJWVDYVWMDTK-QWHCGFSZSA-N 1 0 305.334 1.058 20 5 DDBDRO COc1cc(-c2nc(C3([NH3+])CCC3)no2)cc([N+](=O)[O-])c1OC ZINC000262038196 407720271 /nfs/dbraw/zinc/72/02/71/407720271.db2.gz XYFYRYAZJKXPAY-UHFFFAOYSA-N 1 0 320.305 2.000 20 5 DDBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)Cc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000262077402 407731603 /nfs/dbraw/zinc/73/16/03/407731603.db2.gz GRWUBYKGVHNMQD-AEGPPILISA-N 1 0 303.362 1.723 20 5 DDBDRO COc1cc(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000186685261 407744298 /nfs/dbraw/zinc/74/42/98/407744298.db2.gz XLXBXGKBJMLJBU-GXSJLCMTSA-N 1 0 323.349 1.340 20 5 DDBDRO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCC[NH+]1CCCC1 ZINC000179361654 407779132 /nfs/dbraw/zinc/77/91/32/407779132.db2.gz LRESDIIPOWENSQ-UHFFFAOYSA-N 1 0 316.361 1.831 20 5 DDBDRO COCC[N@H+](C)CCCNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000132784690 407805120 /nfs/dbraw/zinc/80/51/20/407805120.db2.gz YOWZCMSTPLVMMY-UHFFFAOYSA-N 1 0 313.329 1.432 20 5 DDBDRO C[C@@H]1CN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C[C@H](C)[NH2+]1 ZINC000153360454 407807245 /nfs/dbraw/zinc/80/72/45/407807245.db2.gz MMSRKZJIAGKNMF-DTORHVGOSA-N 1 0 303.322 1.294 20 5 DDBDRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000237915258 407852518 /nfs/dbraw/zinc/85/25/18/407852518.db2.gz LJUVQDJNHQLKMW-NWDGAFQWSA-N 1 0 306.366 1.640 20 5 DDBDRO CCCC[N@H+](C)CCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000118114593 407894965 /nfs/dbraw/zinc/89/49/65/407894965.db2.gz KENBRXLOWNFJCZ-UHFFFAOYSA-N 1 0 322.365 1.381 20 5 DDBDRO Cc1n[nH]c(C(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)c1[N+](=O)[O-] ZINC000268280899 407982769 /nfs/dbraw/zinc/98/27/69/407982769.db2.gz YCHCOGQEUNRQAL-LLVKDONJSA-N 1 0 309.370 1.334 20 5 DDBDRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000262777573 407928011 /nfs/dbraw/zinc/92/80/11/407928011.db2.gz LYRIIFNATYTJLB-ZWNOBZJWSA-N 1 0 309.391 1.801 20 5 DDBDRO Cn1cc([N+](=O)[O-])c(C(=O)N(CC[NH+](C)C)c2ccccc2)n1 ZINC000272466754 407935879 /nfs/dbraw/zinc/93/58/79/407935879.db2.gz MKQIJAADZBYKBX-UHFFFAOYSA-N 1 0 317.349 1.537 20 5 DDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CC[NH2+]C2)cc1OC ZINC000273025218 408023981 /nfs/dbraw/zinc/02/39/81/408023981.db2.gz LQIPWBBETZLBQW-JTQLQIEISA-N 1 0 323.349 1.341 20 5 DDBDRO O=C(NC[C@H]1CC[NH2+]C1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000273088859 408052250 /nfs/dbraw/zinc/05/22/50/408052250.db2.gz ZLCARNSMHHJTQK-QMMMGPOBSA-N 1 0 317.267 1.953 20 5 DDBDRO COC[C@](C)([NH3+])CNc1ncc(Br)cc1[N+](=O)[O-] ZINC000268488478 408067595 /nfs/dbraw/zinc/06/75/95/408067595.db2.gz NNXDCMIXHOLCDI-SNVBAGLBSA-N 1 0 319.159 1.528 20 5 DDBDRO COC(=O)CC[N@@H+]1CCN(Cc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000182116276 408073455 /nfs/dbraw/zinc/07/34/55/408073455.db2.gz BMDZQYWIMBULOX-CYBMUJFWSA-N 1 0 321.377 1.664 20 5 DDBDRO CC[NH+](CC)CCNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000136713059 408120122 /nfs/dbraw/zinc/12/01/22/408120122.db2.gz BBQJBORYLWNACS-UHFFFAOYSA-N 1 0 308.382 1.778 20 5 DDBDRO CCc1n[nH]c(C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000175444924 408133653 /nfs/dbraw/zinc/13/36/53/408133653.db2.gz ATXCHLFKKPOIFI-VHSXEESVSA-N 1 0 309.370 1.483 20 5 DDBDRO [NH3+][C@@H](CNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)C1CC1 ZINC000137353923 408153465 /nfs/dbraw/zinc/15/34/65/408153465.db2.gz NMAOZMYYXRDGIV-ZDUSSCGKSA-N 1 0 315.333 1.248 20 5 DDBDRO C[C@@H]1CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@@H]1CO ZINC000190425360 408242618 /nfs/dbraw/zinc/24/26/18/408242618.db2.gz YYGXMRRHQPYISJ-MBNYWOFBSA-N 1 0 310.350 1.037 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)N2CC[C@H](C[NH+](C)C)C2)c1[N+](=O)[O-] ZINC000269330261 408271096 /nfs/dbraw/zinc/27/10/96/408271096.db2.gz FDVMAKAWNRDTRE-SNVBAGLBSA-N 1 0 309.370 1.465 20 5 DDBDRO Cc1c(C(=O)N2CCC[C@H]([NH3+])C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000158288661 408332439 /nfs/dbraw/zinc/33/24/39/408332439.db2.gz VFDFPAAIRNQJJP-VIFPVBQESA-N 1 0 308.294 1.375 20 5 DDBDRO C[C@@H](O)[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000183196567 408349574 /nfs/dbraw/zinc/34/95/74/408349574.db2.gz QYLOCRBARMMPDC-QJPTWQEYSA-N 1 0 307.350 1.625 20 5 DDBDRO NC(=O)c1ccc(CN2CCC[N@@H+](C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000172346349 162271160 /nfs/dbraw/zinc/27/11/60/162271160.db2.gz WCLFMTSGCFFIJU-UHFFFAOYSA-N 1 0 318.377 1.364 20 5 DDBDRO Cc1c(CN2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000247080513 408403817 /nfs/dbraw/zinc/40/38/17/408403817.db2.gz HAKDHCBKAAFMLC-OLZOCXBDSA-N 1 0 307.394 1.790 20 5 DDBDRO C[NH+](C)C[C@@](C)(O)CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000269889642 408459492 /nfs/dbraw/zinc/45/94/92/408459492.db2.gz KFPGKJZULAISSV-HNNXBMFYSA-N 1 0 320.349 1.119 20 5 DDBDRO CCc1n[nH]c(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000175829128 162497385 /nfs/dbraw/zinc/49/73/85/162497385.db2.gz YXTKOXIAIXYJDR-VIFPVBQESA-N 1 0 311.386 1.586 20 5 DDBDRO CC(C)(C)C1=CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000270387245 408513767 /nfs/dbraw/zinc/51/37/67/408513767.db2.gz RJHLFQJIERXJRQ-CQSZACIVSA-N 1 0 308.382 1.830 20 5 DDBDRO COc1cc(C(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000177093987 408517320 /nfs/dbraw/zinc/51/73/20/408517320.db2.gz IWCMWSZXSGEZSB-PWSUYJOCSA-N 1 0 319.361 1.958 20 5 DDBDRO C[C@H](Cn1cccn1)[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000265106069 408553221 /nfs/dbraw/zinc/55/32/21/408553221.db2.gz YEHDEBRLBSHNKF-GFCCVEGCSA-N 1 0 317.349 1.432 20 5 DDBDRO [NH3+][C@H]1CC[C@@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])s3)C[C@@H]12 ZINC000184320163 408590270 /nfs/dbraw/zinc/59/02/70/408590270.db2.gz HUWPRGGXOIASEA-HLTSFMKQSA-N 1 0 317.392 1.014 20 5 DDBDRO CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000192660956 408627807 /nfs/dbraw/zinc/62/78/07/408627807.db2.gz VDCMCLVLVQQJEK-NSHDSACASA-N 1 0 313.379 1.357 20 5 DDBDRO CC(C)[C@H](CCO)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000161767684 408637249 /nfs/dbraw/zinc/63/72/49/408637249.db2.gz WFFRXIONMJTJIK-STQMWFEESA-N 1 0 312.366 1.331 20 5 DDBDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000177592550 408666550 /nfs/dbraw/zinc/66/65/50/408666550.db2.gz XUAVIGCCSUNLNB-NEPJUHHUSA-N 1 0 306.366 1.780 20 5 DDBDRO C[C@H](CNc1ccc([N+](=O)[O-])c2nonc21)C[NH+]1CCOCC1 ZINC000265616996 408714520 /nfs/dbraw/zinc/71/45/20/408714520.db2.gz WLJOJERQJCLTBW-SNVBAGLBSA-N 1 0 321.337 1.511 20 5 DDBDRO Cc1cc(C(=O)N2C[C@H]3CC[C@H]([NH3+])[C@@H]3C2)c(N)c([N+](=O)[O-])c1 ZINC000184946688 408721873 /nfs/dbraw/zinc/72/18/73/408721873.db2.gz MMEPNFUTSRUTHG-JLLWLGSASA-N 1 0 304.350 1.295 20 5 DDBDRO C[C@@H]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000163748522 408789238 /nfs/dbraw/zinc/78/92/38/408789238.db2.gz GDOXYHFJIFJLGZ-MNOVXSKESA-N 1 0 313.379 1.200 20 5 DDBDRO Cc1c(NC(=O)CC[N@@H+]2CC[C@@H](O)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000249582261 408745306 /nfs/dbraw/zinc/74/53/06/408745306.db2.gz ROXWVCJZHQSACB-XHDPSFHLSA-N 1 0 321.377 1.935 20 5 DDBDRO COc1cccc(N2CC[C@H](C[NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000185484092 408813245 /nfs/dbraw/zinc/81/32/45/408813245.db2.gz JCCKSUFQHNNKRM-CYBMUJFWSA-N 1 0 321.377 1.762 20 5 DDBDRO COc1cc(C[NH2+][C@@H]2C[C@@H]3OCCC[C@@H]23)c([N+](=O)[O-])cc1O ZINC000249769193 408763835 /nfs/dbraw/zinc/76/38/35/408763835.db2.gz JFQXKNXAVCUNMB-WDMOLILDSA-N 1 0 308.334 1.966 20 5 DDBDRO COC(=O)c1cnc(N[C@@H]2CC[N@@H+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000276553288 408881954 /nfs/dbraw/zinc/88/19/54/408881954.db2.gz KODXESWOJLJMHU-LLVKDONJSA-N 1 0 308.338 1.671 20 5 DDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000276571226 408884706 /nfs/dbraw/zinc/88/47/06/408884706.db2.gz UDGUXYLZIALTDQ-ZDUSSCGKSA-N 1 0 318.377 1.877 20 5 DDBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000280795054 408835913 /nfs/dbraw/zinc/83/59/13/408835913.db2.gz RLWJNBRSEQYRJB-ZUZCIYMTSA-N 1 0 320.349 1.119 20 5 DDBDRO CC(C)([NH2+]CCCS(N)(=O)=O)c1ccccc1[N+](=O)[O-] ZINC000292223473 409005226 /nfs/dbraw/zinc/00/52/26/409005226.db2.gz VEVJOPRFBYVRFY-UHFFFAOYSA-N 1 0 301.368 1.098 20 5 DDBDRO CN1CC[N@H+](C)C[C@@H]1CNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000287304869 409016719 /nfs/dbraw/zinc/01/67/19/409016719.db2.gz LOEOOZAHOHWQPG-VIFPVBQESA-N 1 0 322.394 1.257 20 5 DDBDRO CCCN(Cc1ccccc1[N+](=O)[O-])[C@@H]1CC(=O)N(C)C1=O ZINC000282399664 409047597 /nfs/dbraw/zinc/04/75/97/409047597.db2.gz FGOJVHGMHVQJGK-CYBMUJFWSA-N 1 0 305.334 1.564 20 5 DDBDRO CC(C)[C@@H]1C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CCCO1 ZINC000293108281 409051973 /nfs/dbraw/zinc/05/19/73/409051973.db2.gz LMXOEIYLTPMOSU-HNNXBMFYSA-N 1 0 321.377 1.941 20 5 DDBDRO CCc1n[nH]c(C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)c1[N+](=O)[O-] ZINC000293865950 409196829 /nfs/dbraw/zinc/19/68/29/409196829.db2.gz KWXPAOAENCECMZ-CQSZACIVSA-N 1 0 307.354 1.048 20 5 DDBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000283428222 409154734 /nfs/dbraw/zinc/15/47/34/409154734.db2.gz IZXYEVKKLOPBLH-SECBINFHSA-N 1 0 310.329 1.530 20 5 DDBDRO C[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293872857 409198321 /nfs/dbraw/zinc/19/83/21/409198321.db2.gz VACFQQYKYWAMPZ-QWHCGFSZSA-N 1 0 321.425 1.464 20 5 DDBDRO C[C@@H]([NH2+]C[C@@H](C)N1CC[NH+](C)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293872851 409198381 /nfs/dbraw/zinc/19/83/81/409198381.db2.gz VACFQQYKYWAMPZ-CHWSQXEVSA-N 1 0 321.425 1.464 20 5 DDBDRO O=[N+]([O-])c1cc(Cl)cnc1N[C@H](CO)C[NH+]1CCCCC1 ZINC000289243451 409237703 /nfs/dbraw/zinc/23/77/03/409237703.db2.gz ZRABNOREAWBROC-NSHDSACASA-N 1 0 314.773 1.902 20 5 DDBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(c2nc(=O)[nH][nH]2)CC1 ZINC000289358377 409253459 /nfs/dbraw/zinc/25/34/59/409253459.db2.gz GYMQMROABUOZQS-SNVBAGLBSA-N 1 0 317.349 1.947 20 5 DDBDRO O=c1nc([C@@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C2)[nH][nH]1 ZINC000289452636 409275355 /nfs/dbraw/zinc/27/53/55/409275355.db2.gz PFGXZJDBPWYVIA-LLVKDONJSA-N 1 0 303.322 1.386 20 5 DDBDRO O=C(CCNc1ccccc1[N+](=O)[O-])NCC[N@H+]1CC=CCC1 ZINC000280364229 409299412 /nfs/dbraw/zinc/29/94/12/409299412.db2.gz YIZRKDNTIKWQHQ-UHFFFAOYSA-N 1 0 318.377 1.775 20 5 DDBDRO CN(C)c1cc(F)c(C(=O)NC[C@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000294908300 409306512 /nfs/dbraw/zinc/30/65/12/409306512.db2.gz SCBNOVICCTYEFS-SNVBAGLBSA-N 1 0 324.356 1.624 20 5 DDBDRO CCS(=O)(=O)CC[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284301454 409313452 /nfs/dbraw/zinc/31/34/52/409313452.db2.gz YSEUYLYKAPJZBJ-SECBINFHSA-N 1 0 301.368 1.262 20 5 DDBDRO Cc1ccc(S(=O)(=O)N[C@H]2CC[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC000262810741 163881357 /nfs/dbraw/zinc/88/13/57/163881357.db2.gz XZXNRAVCPKCHQE-PWSUYJOCSA-N 1 0 313.379 1.180 20 5 DDBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H](CC(N)=O)c1ccccc1 ZINC000280552671 409355892 /nfs/dbraw/zinc/35/58/92/409355892.db2.gz QOLNLTLCHXZCDS-ZDUSSCGKSA-N 1 0 317.349 1.340 20 5 DDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000317075302 164025160 /nfs/dbraw/zinc/02/51/60/164025160.db2.gz ZCOPUBFPRKJFTO-WDEREUQCSA-N 1 0 304.350 1.534 20 5 DDBDRO CNc1c(C(=O)N(C)C[C@H]2CCC[N@@H+]2C)cccc1[N+](=O)[O-] ZINC000317213091 164026196 /nfs/dbraw/zinc/02/61/96/164026196.db2.gz AXIQEYMEIDAKBQ-LLVKDONJSA-N 1 0 306.366 1.803 20 5 DDBDRO CC[N@@H+]1CCC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2NC)C1 ZINC000317244584 164027301 /nfs/dbraw/zinc/02/73/01/164027301.db2.gz FJFXXBWDSSVXCA-NSHDSACASA-N 1 0 306.366 1.851 20 5 DDBDRO CC[C@H](NC(=O)CCOC1C[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000348989571 164104164 /nfs/dbraw/zinc/10/41/64/164104164.db2.gz CULFNJKFWYUERJ-AWEZNQCLSA-N 1 0 307.350 1.541 20 5 DDBDRO Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](CCCO)C2)cc1[N+](=O)[O-] ZINC000295405318 409469336 /nfs/dbraw/zinc/46/93/36/409469336.db2.gz IXZOTRPIHRPHHK-CQSZACIVSA-N 1 0 321.377 1.480 20 5 DDBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CNC[C@](C)(O)C[NH+](C)C ZINC000344855574 409533535 /nfs/dbraw/zinc/53/35/35/409533535.db2.gz GJJFEKCRZUZRGL-OIQJVACTSA-N 1 0 307.394 1.900 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H]2CCc3c2cccc3O)c1 ZINC000296962557 409728632 /nfs/dbraw/zinc/72/86/32/409728632.db2.gz YIRUTSBKPVIQOW-FZMZJTMJSA-N 1 0 318.333 1.135 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)c1 ZINC000307826389 409780040 /nfs/dbraw/zinc/78/00/40/409780040.db2.gz VMEWPJBNEJZLLV-JTQLQIEISA-N 1 0 305.256 1.913 20 5 DDBDRO C[C@H]([NH2+][C@H]1CCCN(C)[C@@H]1C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000342729206 409855122 /nfs/dbraw/zinc/85/51/22/409855122.db2.gz JPLSBIDUYWLTRU-XQQFMLRXSA-N 1 0 320.393 1.994 20 5 DDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCC1CC[NH2+]CC1 ZINC000297118338 409813806 /nfs/dbraw/zinc/81/38/06/409813806.db2.gz GIQYZIAWOSWMNF-UHFFFAOYSA-N 1 0 311.769 1.907 20 5 DDBDRO Cc1nnc([C@@H]2CCC[N@H+](CCn3ccc([N+](=O)[O-])n3)C2)[nH]1 ZINC000349372597 409813975 /nfs/dbraw/zinc/81/39/75/409813975.db2.gz MWBFIJVSYGSFIE-LLVKDONJSA-N 1 0 305.342 1.097 20 5 DDBDRO C[C@H](C[C@H](C)[NH3+])NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000320717983 409907892 /nfs/dbraw/zinc/90/78/92/409907892.db2.gz VIUGNXFYXFWDCM-JGVFFNPUSA-N 1 0 321.786 1.652 20 5 DDBDRO COc1cc(C[NH2+]CCc2ccn(C)n2)c([N+](=O)[O-])cc1OC ZINC000354635868 409983110 /nfs/dbraw/zinc/98/31/10/409983110.db2.gz ABDHQMFLSRIKEC-UHFFFAOYSA-N 1 0 320.349 1.678 20 5 DDBDRO C[N@@H+]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C(C)(C)C1 ZINC000332288879 410044003 /nfs/dbraw/zinc/04/40/03/410044003.db2.gz ZCPZTXCUTJCSKE-UHFFFAOYSA-N 1 0 303.366 1.997 20 5 DDBDRO Cc1c(NC(=O)[C@H](C)N2CC[C@@H]([C@@H](C)[NH3+])C2)cccc1[N+](=O)[O-] ZINC000351858434 410297288 /nfs/dbraw/zinc/29/72/88/410297288.db2.gz DCEQAXYPQPQYLO-FRRDWIJNSA-N 1 0 320.393 1.899 20 5 DDBDRO Cc1c(CNC(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000358605124 410494671 /nfs/dbraw/zinc/49/46/71/410494671.db2.gz HULYAEWPPNNNLH-CYBMUJFWSA-N 1 0 318.377 1.939 20 5 DDBDRO CO[C@H]1CCN(CCOc2ccccc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000359045522 410546802 /nfs/dbraw/zinc/54/68/02/410546802.db2.gz QDZRECIICUCAPU-STQMWFEESA-N 1 0 309.366 1.412 20 5 DDBDRO C[N@@H+]1CCC[C@H](CNc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])C1 ZINC000301084451 410652102 /nfs/dbraw/zinc/65/21/02/410652102.db2.gz DFEHSNJDGBXLLG-SNVBAGLBSA-N 1 0 317.349 1.997 20 5 DDBDRO Cc1nn(C)c(NC2CC[NH+](C[C@@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000301268935 410686128 /nfs/dbraw/zinc/68/61/28/410686128.db2.gz IZRKYACAPKURJG-LBPRGKRZSA-N 1 0 323.397 1.550 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@@H]1CCNC1=O ZINC000340217358 410764183 /nfs/dbraw/zinc/76/41/83/410764183.db2.gz BGJAXGRVDNRRMK-CYBMUJFWSA-N 1 0 320.349 1.052 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@]1(OC)CCOC1 ZINC000359638050 410787004 /nfs/dbraw/zinc/78/70/04/410787004.db2.gz PTPGBBUTTQWWHI-HNNXBMFYSA-N 1 0 310.350 1.889 20 5 DDBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000330579885 410794567 /nfs/dbraw/zinc/79/45/67/410794567.db2.gz IIXFFANDUBLSPZ-VXGBXAGGSA-N 1 0 307.350 1.525 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[N@H+]2CCCC[C@H]2[C@@H](O)C(F)(F)F)n1 ZINC000340205517 410749806 /nfs/dbraw/zinc/74/98/06/410749806.db2.gz YLPRUAYYCKUGKA-GXSJLCMTSA-N 1 0 322.287 1.569 20 5 DDBDRO C[C@@H](C[NH+]1CCCCC1)Nc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000301929023 410832541 /nfs/dbraw/zinc/83/25/41/410832541.db2.gz NPLBQHJIABNGOT-NSHDSACASA-N 1 0 304.354 1.924 20 5 DDBDRO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000330640911 410845313 /nfs/dbraw/zinc/84/53/13/410845313.db2.gz QJBGMQCTHWFODB-NSHDSACASA-N 1 0 324.381 1.088 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](C)[C@@H](O)C1 ZINC000330652073 410849184 /nfs/dbraw/zinc/84/91/84/410849184.db2.gz KLMZZELQQXHDAC-WFASDCNBSA-N 1 0 321.377 1.935 20 5 DDBDRO CO[C@@H](C)C[N@H+](C)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000353236592 410869800 /nfs/dbraw/zinc/86/98/00/410869800.db2.gz SWFCGUJCGKVMOR-SMDDNHRTSA-N 1 0 307.350 1.667 20 5 DDBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2C[C@H](O)C[C@@H]2CO)o1 ZINC000359974850 410976873 /nfs/dbraw/zinc/97/68/73/410976873.db2.gz PLDGINFVUMTOQM-VXGBXAGGSA-N 1 0 318.329 1.782 20 5 DDBDRO Cc1c(NC(=O)CC[N@@H+](C)C2CC(O)C2)cccc1[N+](=O)[O-] ZINC000353476978 411013427 /nfs/dbraw/zinc/01/34/27/411013427.db2.gz ZVYVBFAQXSYLAG-UHFFFAOYSA-N 1 0 307.350 1.687 20 5 DDBDRO COCCN1CCC([NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000360254758 411114707 /nfs/dbraw/zinc/11/47/07/411114707.db2.gz XQLNQRJHSVPBLR-UHFFFAOYSA-N 1 0 307.394 1.838 20 5 DDBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@@H]([NH3+])C1 ZINC000132679337 196274732 /nfs/dbraw/zinc/27/47/32/196274732.db2.gz JRYMFCHINVVMDW-PSASIEDQSA-N 1 0 313.741 1.575 20 5 DDBDRO COc1cc(NC[C@](C)(O)C[NH+](C)C)c([N+](=O)[O-])cc1F ZINC000132958794 196299212 /nfs/dbraw/zinc/29/92/12/196299212.db2.gz KYOSQUVGSHKPSJ-ZDUSSCGKSA-N 1 0 301.318 1.467 20 5 DDBDRO C[C@H](CO)[C@H](C)[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000295634681 225067550 /nfs/dbraw/zinc/06/75/50/225067550.db2.gz BNGXOLLFNUTZCG-ZJUUUORDSA-N 1 0 313.329 1.669 20 5 DDBDRO C[C@H](NC(=O)NC[C@H]1CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000417139455 225221169 /nfs/dbraw/zinc/22/11/69/225221169.db2.gz OSINKUAVHQXPSG-RYUDHWBXSA-N 1 0 306.366 1.955 20 5 DDBDRO [NH3+][C@H]1CCCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000420276166 226451463 /nfs/dbraw/zinc/45/14/63/226451463.db2.gz REUZYBOXPUJGAJ-VIFPVBQESA-N 1 0 312.757 1.610 20 5 DDBDRO COc1ccc(C[C@](C)([NH3+])CNc2ccncc2[N+](=O)[O-])cc1 ZINC000361045743 418572822 /nfs/dbraw/zinc/57/28/22/418572822.db2.gz MLZFIMIZFIYOST-INIZCTEOSA-N 1 0 316.361 1.792 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000374627937 418548048 /nfs/dbraw/zinc/54/80/48/418548048.db2.gz YBFBSEXJQXEBDT-YNEHKIRRSA-N 1 0 321.381 1.076 20 5 DDBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC([NH+](C)C)C1 ZINC000360936807 418550757 /nfs/dbraw/zinc/55/07/57/418550757.db2.gz HBRGBEWMZRJFCB-CYBMUJFWSA-N 1 0 305.378 1.936 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)n1 ZINC000191655414 222105828 /nfs/dbraw/zinc/10/58/28/222105828.db2.gz QMPRDMSFWFMXNQ-MNOVXSKESA-N 1 0 309.370 1.414 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)n1 ZINC000191842508 222109361 /nfs/dbraw/zinc/10/93/61/222109361.db2.gz LAXKJRAHLXQQOY-LBPRGKRZSA-N 1 0 323.397 1.519 20 5 DDBDRO C[N@@H+]1CC[C@]2(CCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3N)C2)C1 ZINC000293617670 418580476 /nfs/dbraw/zinc/58/04/76/418580476.db2.gz DGTYAOBFRUIMHQ-HNNXBMFYSA-N 1 0 322.340 1.484 20 5 DDBDRO CN(CC1([NH+](C)C)CCC1)C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000189524527 222048245 /nfs/dbraw/zinc/04/82/45/222048245.db2.gz IHDRBQYHEDPFPB-UHFFFAOYSA-N 1 0 307.354 1.128 20 5 DDBDRO O=C(NCc1ccccc1[N+](=O)[O-])NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000193200129 222146753 /nfs/dbraw/zinc/14/67/53/222146753.db2.gz KPIQLLVZWKTPMG-GFCCVEGCSA-N 1 0 318.377 1.878 20 5 DDBDRO Cc1cc(C(=O)N2CC[C@H]3CC[N@@H+](C)[C@@H]3C2)c(N)c([N+](=O)[O-])c1 ZINC000375037017 418593304 /nfs/dbraw/zinc/59/33/04/418593304.db2.gz HXURXPBZETUEKB-BXUZGUMPSA-N 1 0 318.377 1.652 20 5 DDBDRO CNc1c(C(=O)NC[C@H](C2CC2)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000361177823 418598931 /nfs/dbraw/zinc/59/89/31/418598931.db2.gz LSUWZWCYVLZZDP-CYBMUJFWSA-N 1 0 306.366 1.707 20 5 DDBDRO COC[C@@](C)(CCO)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000361259781 418614149 /nfs/dbraw/zinc/61/41/49/418614149.db2.gz NGRUOBCFWJWWMN-CQSZACIVSA-N 1 0 308.338 1.348 20 5 DDBDRO CC(C)[N@H+](C)CCNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000342087345 418627130 /nfs/dbraw/zinc/62/71/30/418627130.db2.gz BKNPAXYHAPIARE-UHFFFAOYSA-N 1 0 305.338 1.996 20 5 DDBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N1CCC[N@@H+]([C@H](C)CO)CC1 ZINC000367927431 418658997 /nfs/dbraw/zinc/65/89/97/418658997.db2.gz OHCFVTAFYIXWAF-GFCCVEGCSA-N 1 0 321.377 1.690 20 5 DDBDRO COc1cc(C[NH2+][C@@H]2CCc3nc[nH]c3C2)c([N+](=O)[O-])cc1O ZINC000368087338 418688370 /nfs/dbraw/zinc/68/83/70/418688370.db2.gz ARNXLSWGIZQWHH-SNVBAGLBSA-N 1 0 318.333 1.679 20 5 DDBDRO Cc1ccc([C@H](C)[NH2+]CCNc2cnccn2)cc1[N+](=O)[O-] ZINC000361981251 418733821 /nfs/dbraw/zinc/73/38/21/418733821.db2.gz NQCSUVQZHUPITC-LBPRGKRZSA-N 1 0 301.350 2.456 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(C)C2CC([NH3+])C2)c1C ZINC000384981694 418735182 /nfs/dbraw/zinc/73/51/82/418735182.db2.gz JNMQCFUNFRPTOT-UHFFFAOYSA-N 1 0 313.379 1.322 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)N2CCN(C)[C@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000408092757 418787401 /nfs/dbraw/zinc/78/74/01/418787401.db2.gz ZRAIIPQQDYTWGJ-ZJUUUORDSA-N 1 0 309.370 1.606 20 5 DDBDRO C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000365572346 418877405 /nfs/dbraw/zinc/87/74/05/418877405.db2.gz LEFMFKBVTJFPDQ-BYNQJWBRSA-N 1 0 323.418 1.912 20 5 DDBDRO C[C@H]1CCN(C(=O)COc2ccccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000423999423 227851081 /nfs/dbraw/zinc/85/10/81/227851081.db2.gz BDWGYPUVENKKQC-NWDGAFQWSA-N 1 0 307.350 1.417 20 5 DDBDRO C[C@H](N[C@@H]1CCCC[C@H]1[NH3+])C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000424277302 228254465 /nfs/dbraw/zinc/25/44/65/228254465.db2.gz AAXFRCBKILDMJN-ZLKJLUDKSA-N 1 0 306.366 1.781 20 5 DDBDRO CCC[C@H]1C[NH2+]CCN1C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000417949598 419412427 /nfs/dbraw/zinc/41/24/27/419412427.db2.gz VGMJELZSKWJNDF-HNNXBMFYSA-N 1 0 320.393 1.921 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](C(=O)N(C)C)C1 ZINC000411961881 419523667 /nfs/dbraw/zinc/52/36/67/419523667.db2.gz YLYPPLNVIYSGTJ-GFCCVEGCSA-N 1 0 321.377 1.904 20 5 DDBDRO C[C@H](NC(=O)N[C@H]1CC[NH2+]C[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000418232672 419634108 /nfs/dbraw/zinc/63/41/08/419634108.db2.gz NCJHVQFNGXBIAB-MJVIPROJSA-N 1 0 306.366 1.953 20 5 DDBDRO COCC[C@]1(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)CC[NH2+]C1 ZINC000429984613 228864173 /nfs/dbraw/zinc/86/41/73/228864173.db2.gz NEWUPBFNEHRGBZ-BLLLJJGKSA-N 1 0 321.377 1.788 20 5 DDBDRO CC[C@H]1CN(CCNC(=O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000428073917 419805038 /nfs/dbraw/zinc/80/50/38/419805038.db2.gz GGGKHFWJGPYMKZ-AWEZNQCLSA-N 1 0 307.350 1.435 20 5 DDBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000422018758 419808969 /nfs/dbraw/zinc/80/89/69/419808969.db2.gz JMNGYKSFCSONKP-GFCCVEGCSA-N 1 0 306.366 1.559 20 5 DDBDRO C[C@@H](CCC[NH3+])NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000418684332 419933968 /nfs/dbraw/zinc/93/39/68/419933968.db2.gz HHYKMUFWTJLITB-LBPRGKRZSA-N 1 0 308.382 1.906 20 5 DDBDRO CO[C@@H]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2C)[C@H](C[NH3+])C1 ZINC000423497265 420062868 /nfs/dbraw/zinc/06/28/68/420062868.db2.gz GHUHVIAQJDJKLK-UONOGXRCSA-N 1 0 321.377 1.410 20 5 DDBDRO Cc1ccc(NC(=O)C(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)cc1[N+](=O)[O-] ZINC000415432987 420062815 /nfs/dbraw/zinc/06/28/15/420062815.db2.gz HSPCNDADSDOFOV-ZYHUDNBSSA-N 1 0 320.349 1.037 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[NH2+][C@H]2C)c1 ZINC000423601267 420095336 /nfs/dbraw/zinc/09/53/36/420095336.db2.gz GLCUNPFTCWCKEM-GWCFXTLKSA-N 1 0 307.350 1.864 20 5 DDBDRO CCOC(=O)c1cc(C(=O)N2CC[C@H]([NH3+])[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000423640573 420110110 /nfs/dbraw/zinc/11/01/10/420110110.db2.gz GTXBELYOFHWBPC-ZANVPECISA-N 1 0 321.333 1.333 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000415578726 420117252 /nfs/dbraw/zinc/11/72/52/420117252.db2.gz IYYFZLUBOXEMEP-LBPRGKRZSA-N 1 0 322.365 1.793 20 5 DDBDRO C[NH2+]C[C@@H]1CCCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000430543690 420134086 /nfs/dbraw/zinc/13/40/86/420134086.db2.gz DYLXOQHWVSEWEQ-LBPRGKRZSA-N 1 0 322.365 1.226 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H]([NH2+]C)C1 ZINC000415653914 420138392 /nfs/dbraw/zinc/13/83/92/420138392.db2.gz IVSPZWVQYNABEW-JTQLQIEISA-N 1 0 308.338 1.819 20 5 DDBDRO CC1(C)CCC[NH2+][C@H]1CNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000430731988 420184365 /nfs/dbraw/zinc/18/43/65/420184365.db2.gz NWGMODKKQXEFBI-AWEZNQCLSA-N 1 0 321.377 1.868 20 5 DDBDRO Cc1c(NC(=O)C(=O)NCCC[NH2+]C2CC2)cccc1[N+](=O)[O-] ZINC000415864413 420201610 /nfs/dbraw/zinc/20/16/10/420201610.db2.gz WNNYXGYGILKCAU-UHFFFAOYSA-N 1 0 320.349 1.100 20 5 DDBDRO C[NH2+]C[C@H]1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000430934218 420213351 /nfs/dbraw/zinc/21/33/51/420213351.db2.gz NXIKXLGZXGROEQ-LLVKDONJSA-N 1 0 317.349 1.686 20 5 DDBDRO [NH3+]C1(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)CCCCC1 ZINC000423729230 420146336 /nfs/dbraw/zinc/14/63/36/420146336.db2.gz URIQGBFZQMYONK-UHFFFAOYSA-N 1 0 303.322 2.071 20 5 DDBDRO CCOC(=O)c1cc(N2CC[C@@H]3C[NH2+]C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000420252180 420170261 /nfs/dbraw/zinc/17/02/61/420170261.db2.gz AQLHSCAYVMVFEW-NEPJUHHUSA-N 1 0 319.361 1.817 20 5 DDBDRO [NH3+]C[C@H]1CCCCN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000420284910 420182632 /nfs/dbraw/zinc/18/26/32/420182632.db2.gz DCYONXRGOPJUMD-CQSZACIVSA-N 1 0 306.366 1.737 20 5 DDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420369127 420241028 /nfs/dbraw/zinc/24/10/28/420241028.db2.gz BRCSRGHAOQTKER-JHJVBQTASA-N 1 0 320.393 1.839 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420388142 420255563 /nfs/dbraw/zinc/25/55/63/420255563.db2.gz WVDLBGYPTPKVRN-YPMHNXCESA-N 1 0 320.393 1.758 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@H](C)[NH2+]C[C@H]1C ZINC000420399303 420262804 /nfs/dbraw/zinc/26/28/04/420262804.db2.gz NTMNALRUJJQEFF-QWHCGFSZSA-N 1 0 320.393 1.914 20 5 DDBDRO CN(C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)[C@@H](C[NH3+])C1CC1 ZINC000423957382 420282913 /nfs/dbraw/zinc/28/29/13/420282913.db2.gz VFOFFJSBMQIVRN-HNNXBMFYSA-N 1 0 318.377 1.978 20 5 DDBDRO CN(CC[NH3+])C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000423999584 420300754 /nfs/dbraw/zinc/30/07/54/420300754.db2.gz CTMLMKYCKXOSPG-UHFFFAOYSA-N 1 0 321.255 1.567 20 5 DDBDRO C[C@H]1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000424003260 420302040 /nfs/dbraw/zinc/30/20/40/420302040.db2.gz DMLHILQUWNFITL-STQMWFEESA-N 1 0 320.393 1.840 20 5 DDBDRO COc1ccc(CNC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000417198273 420446493 /nfs/dbraw/zinc/44/64/93/420446493.db2.gz QXNIPYONECKWID-VXGBXAGGSA-N 1 0 322.365 1.673 20 5 DDBDRO C[C@H](CO)[C@H](C)[NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000450738283 420518252 /nfs/dbraw/zinc/51/82/52/420518252.db2.gz MKWWMXXCGDUSOO-SUNKGSAMSA-N 1 0 307.350 1.307 20 5 DDBDRO O=[N+]([O-])c1c(NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)nc2sccn21 ZINC000450787350 420530941 /nfs/dbraw/zinc/53/09/41/420530941.db2.gz FOWZDNAOVWYBSI-AOOOYVTPSA-N 1 0 323.378 1.579 20 5 DDBDRO CCn1c(C)nc([N+](=O)[O-])c1NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000450792630 420532435 /nfs/dbraw/zinc/53/24/35/420532435.db2.gz OJEONDCPHFOVPL-TXEJJXNPSA-N 1 0 309.370 1.395 20 5 DDBDRO C[C@@H]1CCN(C(=O)NCCc2ccccc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000417774765 420475395 /nfs/dbraw/zinc/47/53/95/420475395.db2.gz ZUCQQVCDYXRIMW-TZMCWYRMSA-N 1 0 320.393 1.906 20 5 DDBDRO C[C@@H](C[NH3+])CNS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000440829859 420611003 /nfs/dbraw/zinc/61/10/03/420611003.db2.gz BQZAZCZIAXMYGP-VIFPVBQESA-N 1 0 324.362 1.016 20 5 DDBDRO C[C@H](NC(=O)NC[C@]1(O)CC[N@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000458894432 420756131 /nfs/dbraw/zinc/75/61/31/420756131.db2.gz YJCZUGXBDWYSHD-XHDPSFHLSA-N 1 0 322.365 1.022 20 5 DDBDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C[C@H]1C ZINC000445132750 420761524 /nfs/dbraw/zinc/76/15/24/420761524.db2.gz GYHZMFCAICFXRB-ZJUUUORDSA-N 1 0 308.338 1.250 20 5 DDBDRO CC(C)NC(=O)C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447519664 420777216 /nfs/dbraw/zinc/77/72/16/420777216.db2.gz QYLUHBNOXHJWND-NEPJUHHUSA-N 1 0 309.370 1.389 20 5 DDBDRO C[C@H]([NH2+][C@@H](CO)[C@H]1CCCO1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000447920125 420820039 /nfs/dbraw/zinc/82/00/39/420820039.db2.gz GTNKNGKYGQVAOI-LEWSCRJBSA-N 1 0 323.349 1.051 20 5 DDBDRO CNc1nc(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)ccc1[N+](=O)[O-] ZINC000454747712 420919050 /nfs/dbraw/zinc/91/90/50/420919050.db2.gz CAXAUMQMJWENAA-ZYHUDNBSSA-N 1 0 319.365 1.388 20 5 DDBDRO COC(=O)COC[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000449246475 420975769 /nfs/dbraw/zinc/97/57/69/420975769.db2.gz DLFHKOOKVARSBF-SECBINFHSA-N 1 0 316.741 1.916 20 5 DDBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000470182975 420932474 /nfs/dbraw/zinc/93/24/74/420932474.db2.gz LHFYVTZGTRSOBY-CWJQNXGWSA-N 1 0 319.361 1.573 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)CCOc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000456169006 421111819 /nfs/dbraw/zinc/11/18/19/421111819.db2.gz PBBMGHRGVFMSJL-OCCSQVGLSA-N 1 0 319.361 1.526 20 5 DDBDRO CC1(C)[NH2+]CC[C@@H]1NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000449752225 421075926 /nfs/dbraw/zinc/07/59/26/421075926.db2.gz MKEKKRGICJZPLO-ZDUSSCGKSA-N 1 0 307.350 1.620 20 5 DDBDRO C[C@@H]1C[N@H+](CCO)CCN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000449787387 421084731 /nfs/dbraw/zinc/08/47/31/421084731.db2.gz VEEJEDSCXCOQMY-LLVKDONJSA-N 1 0 313.785 1.747 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCN1C(=O)CNC1=O ZINC000545010405 421235467 /nfs/dbraw/zinc/23/54/67/421235467.db2.gz NMNJTLRMCVSNHG-SNVBAGLBSA-N 1 0 306.322 1.106 20 5 DDBDRO C[NH+](C)[C@H](CNC(=O)c1c[nH]nc1[N+](=O)[O-])c1cccc(F)c1 ZINC000547751989 421363484 /nfs/dbraw/zinc/36/34/84/421363484.db2.gz LXLWSZLNOBVGQS-GFCCVEGCSA-N 1 0 321.312 1.490 20 5 DDBDRO CS[C@H]1CN(c2c([N+](=O)[O-])ncn2C)C[C@H]1[NH+]1CCCC1 ZINC000548364323 421429279 /nfs/dbraw/zinc/42/92/79/421429279.db2.gz GWFHRJFDVIQJSO-MNOVXSKESA-N 1 0 311.411 1.344 20 5 DDBDRO CN1CCC([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000562986129 421435772 /nfs/dbraw/zinc/43/57/72/421435772.db2.gz ONVSIHSAZNZSIS-CYBMUJFWSA-N 1 0 309.366 1.018 20 5 DDBDRO COc1ccc(CNC(=O)[C@@H]2CCCCC[NH2+]2)cc1[N+](=O)[O-] ZINC000563155470 421463939 /nfs/dbraw/zinc/46/39/39/421463939.db2.gz HEBUTVXTJDTVKL-LBPRGKRZSA-N 1 0 307.350 1.752 20 5 DDBDRO CN1C[C@@H]([N@H+](C)CCOc2ccccc2[N+](=O)[O-])CCC1=O ZINC000518674175 421662597 /nfs/dbraw/zinc/66/25/97/421662597.db2.gz BPDYIODSOXWSLV-LBPRGKRZSA-N 1 0 307.350 1.526 20 5 DDBDRO Cc1cc(S(=O)(=O)N[C@H](C)C[C@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000519646040 421712600 /nfs/dbraw/zinc/71/26/00/421712600.db2.gz AKIGIFUNNQPQEL-VHSXEESVSA-N 1 0 301.368 1.307 20 5 DDBDRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000580941525 421867680 /nfs/dbraw/zinc/86/76/80/421867680.db2.gz AYVSQBUQCBBXIN-DOOHLRMFSA-N 1 0 318.377 1.910 20 5 DDBDRO COCc1ccc(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000582100860 422106435 /nfs/dbraw/zinc/10/64/35/422106435.db2.gz BXILCDCULPOOBO-OAHLLOKOSA-N 1 0 320.349 1.088 20 5 DDBDRO C[NH+](C)[C@@H](CNc1ccc(N)c([N+](=O)[O-])n1)Cc1ccccc1 ZINC000596056081 422361809 /nfs/dbraw/zinc/36/18/09/422361809.db2.gz WOQBBQAMKSONMS-CYBMUJFWSA-N 1 0 315.377 2.157 20 5 DDBDRO CC(C)(C[NH3+])C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000576154529 422371935 /nfs/dbraw/zinc/37/19/35/422371935.db2.gz AOMHSSXSGLYJHI-UHFFFAOYSA-N 1 0 303.322 1.908 20 5 DDBDRO C[NH2+][C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 ZINC000578069063 422489401 /nfs/dbraw/zinc/48/94/01/422489401.db2.gz LGXJUIWFIVONBS-JTQLQIEISA-N 1 0 321.333 1.190 20 5 DDBDRO [NH3+]CCC1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000578079089 422491074 /nfs/dbraw/zinc/49/10/74/422491074.db2.gz VSIGFRJBAWIOFZ-UHFFFAOYSA-N 1 0 317.349 1.672 20 5 DDBDRO CO[C@@H]([C@@H](C)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000578436458 422568055 /nfs/dbraw/zinc/56/80/55/422568055.db2.gz UUPBBWBWGOHERE-KFNAQCHYSA-N 1 0 324.377 1.738 20 5 DDBDRO C[C@@H]1CN(C(=O)NCc2cccc([N+](=O)[O-])c2)C[C@H](C)[N@H+]1C ZINC000578958056 422676453 /nfs/dbraw/zinc/67/64/53/422676453.db2.gz NUIHUOHBAKOXLQ-TXEJJXNPSA-N 1 0 306.366 1.829 20 5 DDBDRO C[C@@H]([NH3+])[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000237401541 263576451 /nfs/dbraw/zinc/57/64/51/263576451.db2.gz RBHCZDNACCXVFS-BDAKNGLRSA-N 1 0 319.408 1.547 20 5 DDBDRO C[C@H]1CCCN(C(=O)CCNc2ccccc2[N+](=O)[O-])[C@H]1C[NH3+] ZINC000237689021 263584434 /nfs/dbraw/zinc/58/44/34/263584434.db2.gz CDDWNUGQLQPEGL-WFASDCNBSA-N 1 0 320.393 1.983 20 5 DDBDRO COc1cc(C(=O)N[C@@H](C)C[C@H](C)[NH3+])c([N+](=O)[O-])cc1OC ZINC000320367963 271024711 /nfs/dbraw/zinc/02/47/11/271024711.db2.gz QFHGVXALUOHKTN-IUCAKERBSA-N 1 0 311.338 1.468 20 5 DDBDRO CC[N@@H+]1CC[C@@H](N(C)CCn2cc([N+](=O)[O-])ccc2=O)C[C@H]1C ZINC000341577689 271125966 /nfs/dbraw/zinc/12/59/66/271125966.db2.gz RYVFUWJXDHBKGM-ZIAGYGMSSA-N 1 0 322.409 1.561 20 5 DDBDRO O=C(NCC[NH+]1CCCC1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000344325412 271999586 /nfs/dbraw/zinc/99/95/86/271999586.db2.gz PYALGBAGLPWAEZ-UHFFFAOYSA-N 1 0 302.334 1.902 20 5 DDBDRO CC[N@@H+]1C[C@H](C)N(C(=O)CCn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000345933141 272369620 /nfs/dbraw/zinc/36/96/20/272369620.db2.gz AJOUXZLKUHILBL-NEPJUHHUSA-N 1 0 309.370 1.123 20 5 DDBDRO [NH3+][C@H]1CCCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000346049711 272398935 /nfs/dbraw/zinc/39/89/35/272398935.db2.gz ZUFVLCKRTMNOKM-FZMZJTMJSA-N 1 0 304.350 1.123 20 5 DDBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H]1CCC[NH2+]C1 ZINC000414866945 274206613 /nfs/dbraw/zinc/20/66/13/274206613.db2.gz NMYSGJYNAAXFHI-AAEUAGOBSA-N 1 0 306.366 1.654 20 5 DDBDRO C[C@@H](C[NH3+])NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000165896367 274216516 /nfs/dbraw/zinc/21/65/16/274216516.db2.gz GDEJVZUBTWWZRI-LURJTMIESA-N 1 0 302.128 1.434 20 5 DDBDRO CN(C(=O)CCOc1ccccc1[N+](=O)[O-])C1(C[NH3+])CCC1 ZINC000449677368 276724068 /nfs/dbraw/zinc/72/40/68/276724068.db2.gz MNTBODADDYKIIH-UHFFFAOYSA-N 1 0 307.350 1.704 20 5 DDBDRO CO[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(C)c2)[C@@H](C[NH3+])C1 ZINC000262058971 277742125 /nfs/dbraw/zinc/74/21/25/277742125.db2.gz DTPZBJQSNHQNEV-OLZOCXBDSA-N 1 0 307.350 1.482 20 5 DDBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000330559657 278190603 /nfs/dbraw/zinc/19/06/03/278190603.db2.gz HJIUFEVWOKUZIO-NWDGAFQWSA-N 1 0 308.382 1.784 20 5 DDBDRO CC[NH+]1CCN([C@@H]2CCN(c3c(F)cccc3[N+](=O)[O-])C2)CC1 ZINC000287378989 279369483 /nfs/dbraw/zinc/36/94/83/279369483.db2.gz OMBLFIVBCUZQAM-CYBMUJFWSA-N 1 0 322.384 1.950 20 5 DDBDRO C[C@H](C[S@](C)=O)[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000331332778 279376426 /nfs/dbraw/zinc/37/64/26/279376426.db2.gz IMMFSANXEFXFSO-VNIFTMRMSA-N 1 0 314.411 1.632 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCS(=O)(=O)[C@H]1C ZINC000449340363 279382915 /nfs/dbraw/zinc/38/29/15/279382915.db2.gz ODSWBJBNIYSQMO-MDZLAQPJSA-N 1 0 312.391 1.691 20 5 DDBDRO COc1ccc(C[NH2+]CC[C@@H](C)[S@](C)=O)cc1[N+](=O)[O-] ZINC000129514903 281347818 /nfs/dbraw/zinc/34/78/18/281347818.db2.gz HZJGSJWQRKMZBR-CFMSYZGJSA-N 1 0 300.380 1.850 20 5 DDBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCN1CCC(O)CC1 ZINC000294762131 298468852 /nfs/dbraw/zinc/46/88/52/298468852.db2.gz FBNNYNXORCXIFC-CQSZACIVSA-N 1 0 321.421 1.962 20 5 DDBDRO C[N@@H+]1CC[C@@](O)(CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000358059671 299060253 /nfs/dbraw/zinc/06/02/53/299060253.db2.gz SEDRCFHVRMCBAM-MRXNPFEDSA-N 1 0 321.377 1.055 20 5 DDBDRO COc1ccc(CNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000362588269 300102673 /nfs/dbraw/zinc/10/26/73/300102673.db2.gz KHXCRGXFWCFQNU-PWSUYJOCSA-N 1 0 307.350 1.417 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000363035998 300201442 /nfs/dbraw/zinc/20/14/42/300201442.db2.gz ZKLLEKZKCSPLCZ-UHFFFAOYSA-N 1 0 321.381 1.187 20 5 DDBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])cn2)CCN1C1CC[NH+](C)CC1 ZINC000364383748 300387388 /nfs/dbraw/zinc/38/73/88/300387388.db2.gz MPXBDTZNEXJFFM-CYBMUJFWSA-N 1 0 319.409 1.595 20 5 DDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C[C@@H](O)C2(CC2)C1 ZINC000364435563 300397013 /nfs/dbraw/zinc/39/70/13/300397013.db2.gz SPKBFIKBSMPKSJ-ZWNOBZJWSA-N 1 0 305.334 1.379 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@H]2CCCC[C@@H]2[C@H]2CCOC2)c1 ZINC000365069350 300478139 /nfs/dbraw/zinc/47/81/39/300478139.db2.gz KLUUFJQYPBCYJZ-NWANDNLSSA-N 1 0 308.382 1.976 20 5 DDBDRO Cc1nn(CCC(=O)N[C@H]2CCC[NH2+]CC2)c(C)c1[N+](=O)[O-] ZINC000368720341 301080880 /nfs/dbraw/zinc/08/08/80/301080880.db2.gz XKJXCGUXOTYWOI-LBPRGKRZSA-N 1 0 309.370 1.057 20 5 DDBDRO COC(=O)CN1CC=C(c2cc(C)c(N)c([N+](=O)[O-])c2)CC1 ZINC000369905880 301237051 /nfs/dbraw/zinc/23/70/51/301237051.db2.gz IJVXIAGPBNUVQM-UHFFFAOYSA-N 1 0 305.334 1.748 20 5 DDBDRO O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3C[C@H](O)C[C@@H]3CO)o2)c1 ZINC000370385925 301328238 /nfs/dbraw/zinc/32/82/38/301328238.db2.gz HLDKAWJFYPQMRQ-ZIAGYGMSSA-N 1 0 318.329 1.782 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@]3(CCC[C@H]3[NH3+])C2)c1 ZINC000372779219 301612269 /nfs/dbraw/zinc/61/22/69/301612269.db2.gz DSFVNFSJBXJPRP-GDBMZVCRSA-N 1 0 319.361 1.947 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000094340936 302045168 /nfs/dbraw/zinc/04/51/68/302045168.db2.gz ALWACQNCIQOHCD-GHMZBOCLSA-N 1 0 313.379 1.261 20 5 DDBDRO CN1CCN(C(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])C[C@H]1c1ccccc1Cl ZINC000377123230 302145777 /nfs/dbraw/zinc/14/57/77/302145777.db2.gz OPKBEFNHOBRNLD-XBFCOCLRSA-N 1 0 323.780 1.820 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000377566939 302193520 /nfs/dbraw/zinc/19/35/20/302193520.db2.gz WLEWZOORBOCOBA-MRXNPFEDSA-N 1 0 319.361 1.819 20 5 DDBDRO CCOc1ccc(C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000377748944 302225165 /nfs/dbraw/zinc/22/51/65/302225165.db2.gz UNXVJHMFIKIWDW-CHWSQXEVSA-N 1 0 319.361 1.675 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(C)(C)CC[NH3+] ZINC000397205804 302352294 /nfs/dbraw/zinc/35/22/94/302352294.db2.gz ZOFFUEFGUKRZBE-UHFFFAOYSA-N 1 0 317.367 1.009 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]Cc1cccc(O)c1 ZINC000521426517 302873733 /nfs/dbraw/zinc/87/37/33/302873733.db2.gz GKGFKVOBPUGJTL-CQSZACIVSA-N 1 0 318.329 1.830 20 5 DDBDRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000531054928 303227493 /nfs/dbraw/zinc/22/74/93/303227493.db2.gz LXFFABSSLDKSPZ-BETUJISGSA-N 1 0 321.377 1.963 20 5 DDBDRO Cn1c(C(=O)N[C@H]2CN(C)Cc3ccccc32)ccc1[N+](=O)[O-] ZINC000535282493 303345339 /nfs/dbraw/zinc/34/53/39/303345339.db2.gz ZANVWTRUTSBCJV-ZDUSSCGKSA-N 1 0 314.345 1.850 20 5 DDBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)C(=O)N(C)C ZINC000357850345 306920788 /nfs/dbraw/zinc/92/07/88/306920788.db2.gz NBNPHPLHFZQYOX-MNOVXSKESA-N 1 0 322.365 1.378 20 5 DDBDRO CCOc1cc(C[NH2+][C@H](CO)C2CCOCC2)ccc1[N+](=O)[O-] ZINC000361605129 307001009 /nfs/dbraw/zinc/00/10/09/307001009.db2.gz VJGBQLZRGWHJEM-CQSZACIVSA-N 1 0 324.377 1.871 20 5 DDBDRO CCc1nn(C)c(N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000367750215 307103680 /nfs/dbraw/zinc/10/36/80/307103680.db2.gz ZWOQKBYIZDPVRL-NEPJUHHUSA-N 1 0 307.398 1.954 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000368648163 307107195 /nfs/dbraw/zinc/10/71/95/307107195.db2.gz RJOCDSACLNENJQ-CYBMUJFWSA-N 1 0 305.334 1.475 20 5 DDBDRO CN(C(=O)[C@H]1C[C@H]1[N+](=O)[O-])C1CCN(c2cc[nH+]cc2)CC1 ZINC000368929739 307112975 /nfs/dbraw/zinc/11/29/75/307112975.db2.gz IUUBTYVEHXKFDL-UONOGXRCSA-N 1 0 304.350 1.174 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCCC23CCCCC3)c1 ZINC000371164668 307143876 /nfs/dbraw/zinc/14/38/76/307143876.db2.gz JPUHGQYMJSMEKA-CQSZACIVSA-N 1 0 308.382 1.951 20 5 DDBDRO COC(=O)c1cc(NC(=O)[C@@H]2C[C@]23CC[NH2+]C3)cc([N+](=O)[O-])c1 ZINC000372921358 307176652 /nfs/dbraw/zinc/17/66/52/307176652.db2.gz JMSDCVJNRYCPCL-WFASDCNBSA-N 1 0 319.317 1.320 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000373938063 307198143 /nfs/dbraw/zinc/19/81/43/307198143.db2.gz MJVAOBUTAYURIQ-NEPJUHHUSA-N 1 0 304.350 1.655 20 5 DDBDRO O=C([C@@H]1C[C@@H]1[N+](=O)[O-])N(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000375270748 307220004 /nfs/dbraw/zinc/22/00/04/307220004.db2.gz VSNQKELPBSFYLM-KFWWJZLASA-N 1 0 318.377 1.218 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000377645086 307275378 /nfs/dbraw/zinc/27/53/78/307275378.db2.gz BNGGDEYZRINVDP-DZGCQCFKSA-N 1 0 315.377 1.863 20 5 DDBDRO C[C@H](NC(=O)[C@@H]1C[C@@H]1[N+](=O)[O-])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000378488374 307289336 /nfs/dbraw/zinc/28/93/36/307289336.db2.gz AUPCEZWOSJWTOI-HNKHHVNMSA-N 1 0 317.389 1.678 20 5 DDBDRO CC1(C)CN(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000520203463 307457032 /nfs/dbraw/zinc/45/70/32/307457032.db2.gz GVYXNPAUILEGBU-UHFFFAOYSA-N 1 0 322.365 1.367 20 5 DDBDRO O=c1c2cc([N+](=O)[O-])sc2ncn1CCC1CC[NH2+]CC1 ZINC000563808637 307983255 /nfs/dbraw/zinc/98/32/55/307983255.db2.gz LIJAIBPQSIFGJK-UHFFFAOYSA-N 1 0 308.363 1.756 20 5 DDBDRO COc1ccc(CC(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1[N+](=O)[O-] ZINC000564933853 308013177 /nfs/dbraw/zinc/01/31/77/308013177.db2.gz XMIITKFGIZZSFI-STQMWFEESA-N 1 0 319.361 1.356 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CN1CCC[C@]12CCNC2=O ZINC000565170821 308022789 /nfs/dbraw/zinc/02/27/89/308022789.db2.gz KGFCJNMHDQAXQA-OAHLLOKOSA-N 1 0 305.334 1.458 20 5 DDBDRO [NH3+]C[C@@H]1CCCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000566974305 308067546 /nfs/dbraw/zinc/06/75/46/308067546.db2.gz QWDWDYHWCKOUHO-NSHDSACASA-N 1 0 317.349 1.816 20 5 DDBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000569214990 308136978 /nfs/dbraw/zinc/13/69/78/308136978.db2.gz OXQFBFMMXNPBBT-BETUJISGSA-N 1 0 304.350 1.631 20 5 DDBDRO O=C(c1c[nH]nc1[N+](=O)[O-])N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000571263528 308192924 /nfs/dbraw/zinc/19/29/24/308192924.db2.gz FLZDGTPQOAMEIC-ZWNOBZJWSA-N 1 0 319.365 1.407 20 5 DDBDRO NC(=O)c1cccc([N+](=O)[O-])c1NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000571870729 308205073 /nfs/dbraw/zinc/20/50/73/308205073.db2.gz QATPCYWYRRBUBY-SNVBAGLBSA-N 1 0 304.350 1.590 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)n1 ZINC000576686346 308331850 /nfs/dbraw/zinc/33/18/50/308331850.db2.gz KZOPGTSBJZXLKC-GXSJLCMTSA-N 1 0 307.354 1.024 20 5 DDBDRO CCc1ccc(S(=O)(=O)N[C@H](C)[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000576755142 308337213 /nfs/dbraw/zinc/33/72/13/308337213.db2.gz QWFJSIGEYPGQSO-RKDXNWHRSA-N 1 0 301.368 1.171 20 5 DDBDRO C[C@@H](NC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000576755631 308337303 /nfs/dbraw/zinc/33/73/03/308337303.db2.gz SWYNDOFTKMAAOD-GARJFASQSA-N 1 0 322.365 1.014 20 5 DDBDRO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000578139847 308440678 /nfs/dbraw/zinc/44/06/78/308440678.db2.gz FHWSJKXIROYGED-RYUDHWBXSA-N 1 0 307.350 1.702 20 5 DDBDRO O=C(CC[NH2+]C1CC1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000578246868 308449148 /nfs/dbraw/zinc/44/91/48/308449148.db2.gz DQXHKJNULRRRAK-LBPRGKRZSA-N 1 0 319.365 1.145 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCCn1cc(CO)nn1 ZINC000579061219 308503424 /nfs/dbraw/zinc/50/34/24/308503424.db2.gz PHPHGOZTENEIBG-GFCCVEGCSA-N 1 0 319.365 1.728 20 5 DDBDRO CCc1ccc(S(=O)(=O)NC[C@H](C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000579587180 308542777 /nfs/dbraw/zinc/54/27/77/308542777.db2.gz WLYAURBRVJWQSU-JTQLQIEISA-N 1 0 315.395 1.386 20 5 DDBDRO Cc1c(Cl)cc(S(=O)(=O)N[C@H](C)[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000381489049 325741811 /nfs/dbraw/zinc/74/18/11/325741811.db2.gz PRAZRNUQEHFCEM-HTQZYQBOSA-N 1 0 321.786 1.571 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)[C@H]1CC[NH2+]C1 ZINC000583381978 332375969 /nfs/dbraw/zinc/37/59/69/332375969.db2.gz ZCNCGUXWYZBKFH-LBPRGKRZSA-N 1 0 322.365 1.226 20 5 DDBDRO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000582902501 337213342 /nfs/dbraw/zinc/21/33/42/337213342.db2.gz LORDYUKTYCXPKJ-LOWVWBTDSA-N 1 0 319.365 1.001 20 5 DDBDRO O=C(CC[NH2+]CCCn1ccnn1)Nc1ccccc1[N+](=O)[O-] ZINC000583200578 337267288 /nfs/dbraw/zinc/26/72/88/337267288.db2.gz ZUGWRQWTWUPQTC-UHFFFAOYSA-N 1 0 318.337 1.195 20 5 DDBDRO Cn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)n1 ZINC000271476570 500674035 /nfs/dbraw/zinc/67/40/35/500674035.db2.gz ZTGMMSPFOPWIQJ-GFCCVEGCSA-N 1 0 321.381 1.419 20 5 DDBDRO Cc1c(C(=O)NC[C@@H](C)[NH+](C)C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000298346878 533787333 /nfs/dbraw/zinc/78/73/33/533787333.db2.gz KNGMSGREHVISBC-MRVPVSSYSA-N 1 0 310.310 1.491 20 5 DDBDRO C[C@H]1COCC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000331928302 534023583 /nfs/dbraw/zinc/02/35/83/534023583.db2.gz DCCVQIMWZFLELA-CHWSQXEVSA-N 1 0 310.350 1.303 20 5 DDBDRO COc1ccc(NC(=O)CNC(C)(C)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000459551858 534081478 /nfs/dbraw/zinc/08/14/78/534081478.db2.gz TWWXYSUCHGWDRR-UHFFFAOYSA-N 1 0 324.381 1.472 20 5 DDBDRO COc1ccc(NC(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)cc1[N+](=O)[O-] ZINC000415447889 534113281 /nfs/dbraw/zinc/11/32/81/534113281.db2.gz URDQMEWZWQIGLN-ZJUUUORDSA-N 1 0 308.338 1.818 20 5 DDBDRO COc1ccc(NC(=O)N[C@@](C)(C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000415432088 534135922 /nfs/dbraw/zinc/13/59/22/534135922.db2.gz FLSDQUDABKOMEF-AWEZNQCLSA-N 1 0 308.338 1.852 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@@H](c1cccnc1)C1CC1 ZINC000445806305 534321582 /nfs/dbraw/zinc/32/15/82/534321582.db2.gz UNKMDKKRTANPTG-MRXNPFEDSA-N 1 0 314.345 1.892 20 5 DDBDRO COc1cc(C(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000156753665 522075128 /nfs/dbraw/zinc/07/51/28/522075128.db2.gz PTGJOZVMRKTMGP-MFKMUULPSA-N 1 0 307.350 1.803 20 5 DDBDRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000158397320 527209038 /nfs/dbraw/zinc/20/90/38/527209038.db2.gz AHWGPOIKBLMUSP-CABZTGNLSA-N 1 0 317.349 1.718 20 5 DDBDRO CC[NH+](CC)CC[C@@H](CO)Nc1ncc([N+](=O)[O-])cc1F ZINC000413278082 528166955 /nfs/dbraw/zinc/16/69/55/528166955.db2.gz YLAIKHTVZCYLNS-JTQLQIEISA-N 1 0 300.334 1.634 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NCC2([NH+](C)C)CC2)c1 ZINC000416307803 528610425 /nfs/dbraw/zinc/61/04/25/528610425.db2.gz MRAIBSVMOWKFSD-UHFFFAOYSA-N 1 0 307.350 1.818 20 5 DDBDRO CC1(C)COC[C@H]1[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000451813932 529134489 /nfs/dbraw/zinc/13/44/89/529134489.db2.gz SAXBPXFVWOSOIX-CQSZACIVSA-N 1 0 319.361 1.499 20 5 DDBDRO O=[N+]([O-])c1cnc(NCC[NH+]2CCCCC2)c(-c2nn[nH]n2)c1 ZINC000738374963 598601264 /nfs/dbraw/zinc/60/12/64/598601264.db2.gz VDOHXOOMBKHBTC-UHFFFAOYSA-N 1 0 318.341 1.068 20 5 DDBDRO O=C(CCn1cc([N+](=O)[O-])cn1)OCCC[NH+]1CCCCC1 ZINC000747760687 700085505 /nfs/dbraw/zinc/08/55/05/700085505.db2.gz SNPGEKDJHAKLGG-UHFFFAOYSA-N 1 0 310.354 1.601 20 5 DDBDRO C[C@@H](NC(=O)c1ccc(N)c([N+](=O)[O-])c1)C(C)(C)C[NH+](C)C ZINC000081731867 696547502 /nfs/dbraw/zinc/54/75/02/696547502.db2.gz FFZPINBZWYMXAH-SNVBAGLBSA-N 1 0 308.382 1.883 20 5 DDBDRO C[NH+]1CCC2(CCN2C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000747979068 700094396 /nfs/dbraw/zinc/09/43/96/700094396.db2.gz VLMMZJWNWCUGMH-UHFFFAOYSA-N 1 0 304.350 1.487 20 5 DDBDRO CCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000126844201 696765859 /nfs/dbraw/zinc/76/58/59/696765859.db2.gz VDYOKKXAUJXEGP-VIFPVBQESA-N 1 0 317.342 1.106 20 5 DDBDRO Cc1nn(CN2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c(C)c1[N+](=O)[O-] ZINC000129289633 696787589 /nfs/dbraw/zinc/78/75/89/696787589.db2.gz UDZUMXOGBZWUGH-KGLIPLIRSA-N 1 0 307.398 1.782 20 5 DDBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@@H](O)c2ccc(F)cn2)cc1 ZINC000799613847 700153282 /nfs/dbraw/zinc/15/32/82/700153282.db2.gz ZFMVGOQKWTWHDL-OAHLLOKOSA-N 1 0 305.309 1.995 20 5 DDBDRO [NH3+][C@@H](CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000237969265 697814825 /nfs/dbraw/zinc/81/48/25/697814825.db2.gz DBDNYGNESVPVSV-AWEZNQCLSA-N 1 0 306.366 1.640 20 5 DDBDRO CC[N@H+](C)C[C@@H]1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776588829 698123141 /nfs/dbraw/zinc/12/31/41/698123141.db2.gz CFHPUYIXBYEGLS-XJKSGUPXSA-N 1 0 307.394 1.902 20 5 DDBDRO CNC(=O)CC1CC[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776592008 698123513 /nfs/dbraw/zinc/12/35/13/698123513.db2.gz OGLCQLYHLIOZFE-HNNXBMFYSA-N 1 0 321.377 1.476 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CC[C@H]2CCCS2)c1 ZINC000715807379 699277329 /nfs/dbraw/zinc/27/73/29/699277329.db2.gz SHWBHKZIMSRZFC-NWDGAFQWSA-N 1 0 300.384 1.028 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000729919534 699491753 /nfs/dbraw/zinc/49/17/53/699491753.db2.gz QEZYITLJKZKBFX-NSHDSACASA-N 1 0 306.366 1.485 20 5 DDBDRO C[C@@H]1CCC[N@@H+]1CCNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000742241716 699869599 /nfs/dbraw/zinc/86/95/99/699869599.db2.gz RIGUFKQWKAXFBW-CYBMUJFWSA-N 1 0 320.393 1.997 20 5 DDBDRO C[C@H]1CN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC[N@@H+]1C ZINC000761076784 700840066 /nfs/dbraw/zinc/84/00/66/700840066.db2.gz JQYYWKMFXYAWME-LBPRGKRZSA-N 1 0 318.377 1.120 20 5 DDBDRO Cn1ncc(Cl)c1CN(CC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000809734759 701683590 /nfs/dbraw/zinc/68/35/90/701683590.db2.gz KPYRGGYGUUPJME-UHFFFAOYSA-N 1 0 309.757 1.947 20 5 DDBDRO C[NH+](C)CCOC1CCN(c2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000804450767 701190915 /nfs/dbraw/zinc/19/09/15/701190915.db2.gz ZCOVYLQCTBMKND-UHFFFAOYSA-N 1 0 308.382 1.724 20 5 DDBDRO CC(C)[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C[C@@H]1CCC(=O)N1 ZINC000839671029 701775747 /nfs/dbraw/zinc/77/57/47/701775747.db2.gz XXRQWNAXSOWXOL-ZFWWWQNUSA-N 1 0 321.377 1.617 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)NCc3cccc([N+](=O)[O-])c3)CC[C@H]21 ZINC000868160300 701970449 /nfs/dbraw/zinc/97/04/49/701970449.db2.gz DUDFEYCUOQJVJH-UKRRQHHQSA-N 1 0 318.377 1.830 20 5 DDBDRO C[N@@H+]1CC[C@H]2CN(c3c(C(N)=O)cccc3[N+](=O)[O-])CC[C@@H]21 ZINC000866206838 706648584 /nfs/dbraw/zinc/64/85/84/706648584.db2.gz GDWRGYANPJTHCS-JQWIXIFHSA-N 1 0 304.350 1.224 20 5 DDBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCS(C)(=O)=O ZINC000866249983 706657703 /nfs/dbraw/zinc/65/77/03/706657703.db2.gz RQBXPMVYMSOLTA-SECBINFHSA-N 1 0 304.343 1.299 20 5 DDBDRO O=C(NC[C@H]1C[NH2+]CCO1)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000841104260 702347709 /nfs/dbraw/zinc/34/77/09/702347709.db2.gz WERVGVWSNKKBOX-SECBINFHSA-N 1 0 314.729 1.358 20 5 DDBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1CCC(=O)N(C)C1 ZINC000866268633 706661707 /nfs/dbraw/zinc/66/17/07/706661707.db2.gz AIDOQAMNLRDTLZ-MFKMUULPSA-N 1 0 309.341 1.875 20 5 DDBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@]1(O)CCN(C)C1 ZINC000866339882 706676705 /nfs/dbraw/zinc/67/67/05/706676705.db2.gz OFILACLTLGJKSE-XHDPSFHLSA-N 1 0 311.357 1.321 20 5 DDBDRO C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C[C@H]1C[NH3+] ZINC000818008147 702551576 /nfs/dbraw/zinc/55/15/76/702551576.db2.gz DSJQUOTVIWYZFI-VXGBXAGGSA-N 1 0 320.393 1.718 20 5 DDBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)NC[C@@H]1CCC[NH2+]1 ZINC000841854568 702587945 /nfs/dbraw/zinc/58/79/45/702587945.db2.gz CBHBIYPHFUFSLU-JTQLQIEISA-N 1 0 312.757 1.799 20 5 DDBDRO CC(C)([NH3+])CNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000841855242 702588455 /nfs/dbraw/zinc/58/84/55/702588455.db2.gz IUMNTLKAHBIIIB-UHFFFAOYSA-N 1 0 300.746 1.785 20 5 DDBDRO C[NH2+]C[C@H](C)c1noc(CCn2nc(C)c([N+](=O)[O-])c2C)n1 ZINC000842583406 702736340 /nfs/dbraw/zinc/73/63/40/702736340.db2.gz SZRNWUHLNQBOFG-QMMMGPOBSA-N 1 0 308.342 1.357 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@H](O)Cc2ccccc2)c1 ZINC000843072075 702813361 /nfs/dbraw/zinc/81/33/61/702813361.db2.gz SYUKHSXFNMCOGR-IAGOWNOFSA-N 1 0 316.357 1.821 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@@H](CO)c2ccccc2)cc1 ZINC000843076993 702814739 /nfs/dbraw/zinc/81/47/39/702814739.db2.gz ONZQQLOOFFWLNX-RDJZCZTQSA-N 1 0 316.357 1.994 20 5 DDBDRO [NH3+][C@H]1C[C@@H](c2nc(CCNc3ccccc3[N+](=O)[O-])no2)C1 ZINC000843184024 702835983 /nfs/dbraw/zinc/83/59/83/702835983.db2.gz CDJUIKLXBXPTCG-AOOOYVTPSA-N 1 0 303.322 1.837 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1-c1noc([C@H]2CC23CC[NH2+]CC3)n1 ZINC000843223256 702845267 /nfs/dbraw/zinc/84/52/67/702845267.db2.gz NPDVADDZFIIASN-MRVPVSSYSA-N 1 0 304.310 1.235 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CC[NH2+]C[C@@H]2C)cc1[N+](=O)[O-] ZINC000843323628 702859455 /nfs/dbraw/zinc/85/94/55/702859455.db2.gz YBEWLEMDIVTJLJ-QMMMGPOBSA-N 1 0 308.294 1.245 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000843469564 702888181 /nfs/dbraw/zinc/88/81/81/702888181.db2.gz NIVPFRYIYDVBIA-MNOVXSKESA-N 1 0 322.321 1.811 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N[C@H](C)CCC[NH3+])cc1[N+](=O)[O-] ZINC000843485347 702891049 /nfs/dbraw/zinc/89/10/49/702891049.db2.gz BBUXOBWJIUIULQ-MRVPVSSYSA-N 1 0 310.310 1.669 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1-c1noc([C@H]2CC[C@H](C3CC3)[NH2+]2)n1 ZINC000844917648 703084788 /nfs/dbraw/zinc/08/47/88/703084788.db2.gz UUAURHADQRRFLL-RKDXNWHRSA-N 1 0 304.310 1.581 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(C[C@@H](O)c3cccc([N+](=O)[O-])c3)CC[C@H]21 ZINC000879577504 706724799 /nfs/dbraw/zinc/72/47/99/706724799.db2.gz JRKSOZRIZFNERO-FVQBIDKESA-N 1 0 305.378 1.654 20 5 DDBDRO C[C@H]1CN(c2cc(Cl)c(F)cc2[N+](=O)[O-])CCN1CCO ZINC000845517484 703167130 /nfs/dbraw/zinc/16/71/30/703167130.db2.gz ARJOMKOHTKFFTA-VIFPVBQESA-N 1 0 317.748 1.890 20 5 DDBDRO CC(C)C[N@H+](C)CCCNC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000846291127 703262627 /nfs/dbraw/zinc/26/26/27/703262627.db2.gz IWJYXGJLJTXSFP-UHFFFAOYSA-N 1 0 308.382 1.885 20 5 DDBDRO Nc1ccc(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000848350710 703541712 /nfs/dbraw/zinc/54/17/12/703541712.db2.gz SJYDPIRJNICHTI-ZIAGYGMSSA-N 1 0 318.377 1.924 20 5 DDBDRO C[NH+](C)CCNC(=S)NNc1ccc([N+](=O)[O-])cc1F ZINC000849288063 703632098 /nfs/dbraw/zinc/63/20/98/703632098.db2.gz DULAQBFKTGOZRB-UHFFFAOYSA-N 1 0 301.347 1.087 20 5 DDBDRO CCO[C@@H](CNC(=O)c1cc([N+](=O)[O-])c(C)s1)C[NH+](C)C ZINC000831765728 706774738 /nfs/dbraw/zinc/77/47/38/706774738.db2.gz DKCOVEKNXBBOMC-JTQLQIEISA-N 1 0 315.395 1.661 20 5 DDBDRO O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000818563904 703927045 /nfs/dbraw/zinc/92/70/45/703927045.db2.gz RZRFDMHFOKXGFM-NSHDSACASA-N 1 0 320.305 1.470 20 5 DDBDRO CCO[C@@H](CNC(=O)c1cccc(C)c1[N+](=O)[O-])C[NH+](C)C ZINC000831766140 706775250 /nfs/dbraw/zinc/77/52/50/706775250.db2.gz IWVSPKBUIMONIN-LBPRGKRZSA-N 1 0 309.366 1.600 20 5 DDBDRO CO[C@H]1CC[C@@H]([NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)C1 ZINC000852151077 703945910 /nfs/dbraw/zinc/94/59/10/703945910.db2.gz CXCMERGIFRHUHL-OLZOCXBDSA-N 1 0 306.366 1.679 20 5 DDBDRO Cc1cc(C[C@@H](C)[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000819177549 704082113 /nfs/dbraw/zinc/08/21/13/704082113.db2.gz OFNDMLVRVBEVSI-MEBBXXQBSA-N 1 0 304.350 1.881 20 5 DDBDRO CCO[C@@H]1C[C@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H]1OC ZINC000819228699 704090685 /nfs/dbraw/zinc/09/06/85/704090685.db2.gz XCNWSGCHXKYCAT-YJNKXOJESA-N 1 0 310.350 1.410 20 5 DDBDRO C[NH+](C)C1CCN(C(=O)[C@](C)(N)c2cccc([N+](=O)[O-])c2)CC1 ZINC000870852471 704145256 /nfs/dbraw/zinc/14/52/56/704145256.db2.gz GHZQWNMKQMVEFF-MRXNPFEDSA-N 1 0 320.393 1.321 20 5 DDBDRO C[C@H](CNC(=O)CCc1cc(F)ccc1[N+](=O)[O-])C[NH+](C)C ZINC000820241669 704245303 /nfs/dbraw/zinc/24/53/03/704245303.db2.gz WBYKUYMSNQYSGK-LLVKDONJSA-N 1 0 311.357 1.980 20 5 DDBDRO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](CO)C[NH+](C)C ZINC000854465639 704402050 /nfs/dbraw/zinc/40/20/50/704402050.db2.gz RYRHXYFXJGLKNV-ZWXCPPHNSA-N 1 0 307.350 1.037 20 5 DDBDRO C[C@@H](CCNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)[NH+](C)C ZINC000855412275 704483744 /nfs/dbraw/zinc/48/37/44/704483744.db2.gz VJLXCKXVHWCFDZ-NSHDSACASA-N 1 0 319.365 1.401 20 5 DDBDRO C[NH2+]C[C@@H](C)NC(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857764812 704621866 /nfs/dbraw/zinc/62/18/66/704621866.db2.gz BDMYYDBXMNPHQM-MRVPVSSYSA-N 1 0 303.265 1.291 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N(C)C[C@H](C)[NH3+])c1C ZINC000858641125 704738530 /nfs/dbraw/zinc/73/85/30/704738530.db2.gz ARZBYGQTQBZCEU-VIFPVBQESA-N 1 0 301.368 1.179 20 5 DDBDRO CC(=O)NC[C@@H]1CCCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000860176334 705123318 /nfs/dbraw/zinc/12/33/18/705123318.db2.gz CWPPCGXTUCIRBD-HOTGVXAUSA-N 1 0 321.377 1.619 20 5 DDBDRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000874823247 705182300 /nfs/dbraw/zinc/18/23/00/705182300.db2.gz GVSKQFHBATWMDZ-ZIAGYGMSSA-N 1 0 321.352 1.972 20 5 DDBDRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000874834923 705191981 /nfs/dbraw/zinc/19/19/81/705191981.db2.gz VSDQGCGDVDSDSB-NEPJUHHUSA-N 1 0 304.350 1.486 20 5 DDBDRO Cc1cc(C(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3C)c(N)c([N+](=O)[O-])c1 ZINC000874839117 705194953 /nfs/dbraw/zinc/19/49/53/705194953.db2.gz TUIMWCDHTLGSAI-OLZOCXBDSA-N 1 0 318.377 1.794 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3C)c1 ZINC000874846000 705200614 /nfs/dbraw/zinc/20/06/14/705200614.db2.gz XBZSUSUIASOXQE-HUUCEWRRSA-N 1 0 319.361 1.912 20 5 DDBDRO COc1ccc(C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3C)cc1[N+](=O)[O-] ZINC000874848712 705202512 /nfs/dbraw/zinc/20/25/12/705202512.db2.gz GMDIGNFSLFCPRD-STQMWFEESA-N 1 0 319.361 1.912 20 5 DDBDRO CCc1ccc(-c2nc(N3CC[NH2+]CC3)no2)cc1[N+](=O)[O-] ZINC000823330101 705209590 /nfs/dbraw/zinc/20/95/90/705209590.db2.gz JZEBOEWQNPRAPA-UHFFFAOYSA-N 1 0 303.322 1.617 20 5 DDBDRO CN(CC[N@H+](C)C1CC1)C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823961262 705345120 /nfs/dbraw/zinc/34/51/20/705345120.db2.gz APTQBVMDRIHROY-UHFFFAOYSA-N 1 0 307.354 1.735 20 5 DDBDRO Nc1ccc(NC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)cc1[N+](=O)[O-] ZINC000823985545 705349701 /nfs/dbraw/zinc/34/97/01/705349701.db2.gz AHSWMHUKXRWEOF-LBPRGKRZSA-N 1 0 317.349 1.655 20 5 DDBDRO Nc1ccc(NC(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000824003223 705353278 /nfs/dbraw/zinc/35/32/78/705353278.db2.gz SYPNBSUMTQFFHB-STQMWFEESA-N 1 0 319.365 1.925 20 5 DDBDRO CCN(C(=O)c1cc([N+](=O)[O-])c(F)cc1N)C1CC[NH+](C)CC1 ZINC000861892349 705597468 /nfs/dbraw/zinc/59/74/68/705597468.db2.gz HNEHCTSJOQKEIN-UHFFFAOYSA-N 1 0 324.356 1.872 20 5 DDBDRO C[NH+](C)[C@@]1(CNC(=O)CCC(C)(C)[N+](=O)[O-])CCSC1 ZINC000826639046 705831789 /nfs/dbraw/zinc/83/17/89/705831789.db2.gz RWEXNUKXXDWBFI-CYBMUJFWSA-N 1 0 303.428 1.375 20 5 DDBDRO CC[C@@H](C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)N1CCCC1 ZINC000876927280 705927152 /nfs/dbraw/zinc/92/71/52/705927152.db2.gz XSOKRSIZYIKNNY-MOKVOYLWSA-N 1 0 307.398 1.959 20 5 DDBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000827137220 705937939 /nfs/dbraw/zinc/93/79/39/705937939.db2.gz VHAHOYQPYMMQOU-KFWWJZLASA-N 1 0 303.362 1.909 20 5 DDBDRO COC(=O)N1CCC[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000876996777 705952434 /nfs/dbraw/zinc/95/24/34/705952434.db2.gz DHXQGIRJGOMJRY-CYBMUJFWSA-N 1 0 307.350 1.958 20 5 DDBDRO COc1cccc(C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000827265999 705963740 /nfs/dbraw/zinc/96/37/40/705963740.db2.gz JKJMPYWRRUFQBX-WCQYABFASA-N 1 0 319.361 1.770 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3F)CC[C@H]21 ZINC000827269312 705964770 /nfs/dbraw/zinc/96/47/70/705964770.db2.gz WQWOONNHLACERH-QMTHXVAHSA-N 1 0 307.325 1.900 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H](CO)C3CC3)CC2)cn1 ZINC000877044971 705970866 /nfs/dbraw/zinc/97/08/66/705970866.db2.gz MWPGJJPEGAPDKA-AWEZNQCLSA-N 1 0 306.366 1.319 20 5 DDBDRO CCC(=O)N1CC[C@@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000877088097 705979809 /nfs/dbraw/zinc/97/98/09/705979809.db2.gz AWZXKTSFMNVBFC-VOMCLLRMSA-N 1 0 307.354 1.095 20 5 DDBDRO C[C@@H]1C[C@@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CN1C1CC1 ZINC000877094864 705981323 /nfs/dbraw/zinc/98/13/23/705981323.db2.gz UYYBVPDBFLLFFY-KTEZZQQRSA-N 1 0 305.382 1.710 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000827374739 705988770 /nfs/dbraw/zinc/98/87/70/705988770.db2.gz PPCLBPGGUZHLBR-KGLIPLIRSA-N 1 0 303.362 1.690 20 5 DDBDRO COC(=O)c1cc(-c2cnn3c2C[NH2+]CC3)cc([N+](=O)[O-])c1 ZINC000863716248 705994404 /nfs/dbraw/zinc/99/44/04/705994404.db2.gz ROTRNICOMUHHGG-UHFFFAOYSA-N 1 0 302.290 1.348 20 5 DDBDRO O=C(NCC[N@H+]1CC[C@H](O)C1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000863829997 706023071 /nfs/dbraw/zinc/02/30/71/706023071.db2.gz OQKKQSKOXUMNAX-JTQLQIEISA-N 1 0 313.741 1.045 20 5 DDBDRO O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000877265928 706040820 /nfs/dbraw/zinc/04/08/20/706040820.db2.gz LPTHKOYCYIZZHJ-MFKMUULPSA-N 1 0 307.325 1.948 20 5 DDBDRO O=C(NCC[N@H+]1CC[C@@H](O)C1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000863942499 706042376 /nfs/dbraw/zinc/04/23/76/706042376.db2.gz YLDRXHHQYYYJMG-SNVBAGLBSA-N 1 0 313.741 1.045 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877285956 706048922 /nfs/dbraw/zinc/04/89/22/706048922.db2.gz ADWYULMOZOEOMS-KGLIPLIRSA-N 1 0 305.334 1.327 20 5 DDBDRO Cn1c(C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)ccc1[N+](=O)[O-] ZINC000877346587 706074045 /nfs/dbraw/zinc/07/40/45/706074045.db2.gz SHYIPJACVQFGBQ-ZDUSSCGKSA-N 1 0 314.345 1.378 20 5 DDBDRO O=C(COc1cccc([N+](=O)[O-])c1)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000877395626 706094663 /nfs/dbraw/zinc/09/46/63/706094663.db2.gz LMSNLQGQJMCZRJ-UKRRQHHQSA-N 1 0 305.334 1.374 20 5 DDBDRO COC[C@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)[C@@H]1CCCO1 ZINC000877490214 706121926 /nfs/dbraw/zinc/12/19/26/706121926.db2.gz UPYPVQPYJJKFKT-OQSWDALSSA-N 1 0 310.354 1.278 20 5 DDBDRO O=[N+]([O-])c1c(N[C@@H]2CCC[N@@H+](CCCO)C2)nc2ccccn21 ZINC000828461379 706184476 /nfs/dbraw/zinc/18/44/76/706184476.db2.gz VHIYYYYQFSFHEG-GFCCVEGCSA-N 1 0 319.365 1.501 20 5 DDBDRO C[N@@H+]1CC[C@](O)(CNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000828505311 706191250 /nfs/dbraw/zinc/19/12/50/706191250.db2.gz MYOHPUFJPWLQFS-ZDUSSCGKSA-N 1 0 313.741 1.045 20 5 DDBDRO C[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCN2CCO[C@H]1C2 ZINC000830292908 706491402 /nfs/dbraw/zinc/49/14/02/706491402.db2.gz UENYDHHNEJPHFK-PMPSAXMXSA-N 1 0 321.377 1.033 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C[C@@H]2C1 ZINC000865905039 706559168 /nfs/dbraw/zinc/55/91/68/706559168.db2.gz ZWQQWAVYHNKPSP-MNOVXSKESA-N 1 0 306.322 1.891 20 5 DDBDRO CC(C)(O)[C@H]1CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000880138961 706888267 /nfs/dbraw/zinc/88/82/67/706888267.db2.gz JGQOKTFDKRDWDK-JSGCOSHPSA-N 1 0 324.377 1.427 20 5 DDBDRO Cc1nn(C)c(C(=O)Nc2cccc(OCC[NH3+])c2)c1[N+](=O)[O-] ZINC000832603336 706948019 /nfs/dbraw/zinc/94/80/19/706948019.db2.gz GUYCZNJOBICOPE-UHFFFAOYSA-N 1 0 319.321 1.227 20 5 DDBDRO CO[C@H]1COCC[C@@H]1[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000880425591 706970420 /nfs/dbraw/zinc/97/04/20/706970420.db2.gz GHGPZRGPWFLYBM-WFASDCNBSA-N 1 0 310.350 1.709 20 5 DDBDRO C[N@@H+]1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C[C@H]1C(C)(C)C ZINC000880613187 707041572 /nfs/dbraw/zinc/04/15/72/707041572.db2.gz NTXCVIFWUWIVKB-AWEZNQCLSA-N 1 0 320.393 1.979 20 5 DDBDRO Cc1ccc(Cn2cc(C[C@@H]3CC[NH2+]C3)nn2)cc1[N+](=O)[O-] ZINC000881212144 707154949 /nfs/dbraw/zinc/15/49/49/707154949.db2.gz NJEXQVIUZKPZDO-LBPRGKRZSA-N 1 0 301.350 1.695 20 5 DDBDRO CC[C@@H]1COCCN1CCNc1ccc([N+](=O)[O-])c(N)c1F ZINC000872772483 707593402 /nfs/dbraw/zinc/59/34/02/707593402.db2.gz WAXSKZXFJZUJPR-SNVBAGLBSA-N 1 0 312.345 1.839 20 5 DDBDRO C[NH+](C)CC1CN(c2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)C1 ZINC000882408444 707626589 /nfs/dbraw/zinc/62/65/89/707626589.db2.gz GCBTUEQJACVOLK-UHFFFAOYSA-N 1 0 318.377 1.485 20 5 DDBDRO Cn1c(C(=O)N2CCC(C)([NH+]3CCC3)CC2)ccc1[N+](=O)[O-] ZINC000882499371 707668146 /nfs/dbraw/zinc/66/81/46/707668146.db2.gz FGLIXHNWUDOCCB-UHFFFAOYSA-N 1 0 306.366 1.634 20 5 DDBDRO COCCC1(NCc2ccc(OC)c([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000873225018 707775455 /nfs/dbraw/zinc/77/54/55/707775455.db2.gz QJWMNOGWJLFUCJ-UHFFFAOYSA-N 1 0 323.393 1.852 20 5 DDBDRO CC[N@@H+]1CC[C@H]1CNc1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000882958644 707872167 /nfs/dbraw/zinc/87/21/67/707872167.db2.gz GSTDBKOBVRMNFN-ZETCQYMHSA-N 1 0 307.276 1.853 20 5 DDBDRO COc1ccc(CN(CC[NH3+])CC(F)(F)F)cc1[N+](=O)[O-] ZINC000883445401 708003646 /nfs/dbraw/zinc/00/36/46/708003646.db2.gz YGPFFRMXQGHLJQ-UHFFFAOYSA-N 1 0 307.272 1.926 20 5 DDBDRO CC[N@@H+]1CC[C@H]1CNC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000883898035 708078846 /nfs/dbraw/zinc/07/88/46/708078846.db2.gz RMXGUMWUSYQJSN-HNNXBMFYSA-N 1 0 320.393 1.873 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)c1C ZINC000897908313 708489282 /nfs/dbraw/zinc/48/92/82/708489282.db2.gz GYOOLLWHTNYACM-JYAVWHMHSA-N 1 0 303.362 1.844 20 5 DDBDRO Cn1nnnc1CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000898039759 708525789 /nfs/dbraw/zinc/52/57/89/708525789.db2.gz FOSPVUITMNDORO-UHFFFAOYSA-N 1 0 310.745 1.494 20 5 DDBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](C[C@@H]3C[C@@]34CCOC4)C2)nc1 ZINC000886067098 708691373 /nfs/dbraw/zinc/69/13/73/708691373.db2.gz HFLYJRLAWYNQBR-WOSRLPQWSA-N 1 0 318.377 1.903 20 5 DDBDRO CN(C)S(=O)(=O)C1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000886322243 708742765 /nfs/dbraw/zinc/74/27/65/708742765.db2.gz UKWFCSGYRDSWGD-UHFFFAOYSA-N 1 0 313.379 1.108 20 5 DDBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@H+](C)CCO ZINC000899737207 709183633 /nfs/dbraw/zinc/18/36/33/709183633.db2.gz DDWPZFBTVZJZLT-CQSZACIVSA-N 1 0 323.393 1.204 20 5 DDBDRO Cc1n[nH]c(C(=O)N2CCCC[C@@H]2[C@H](C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000912811836 713098416 /nfs/dbraw/zinc/09/84/16/713098416.db2.gz ORXQGARZATYAPZ-ZYHUDNBSSA-N 1 0 323.397 1.819 20 5 DDBDRO COc1ccc(CC(=O)N2CC[C@H]([NH+]3CCC3)C2)cc1[N+](=O)[O-] ZINC000912917309 713123493 /nfs/dbraw/zinc/12/34/93/713123493.db2.gz GJTNPMRAONDQPD-ZDUSSCGKSA-N 1 0 319.361 1.453 20 5 DDBDRO COc1ccc(CC(=O)N2CC[C@@H]([NH+]3CCC3)C2)cc1[N+](=O)[O-] ZINC000912917308 713123570 /nfs/dbraw/zinc/12/35/70/713123570.db2.gz GJTNPMRAONDQPD-CYBMUJFWSA-N 1 0 319.361 1.453 20 5 DDBDRO CC1(C)CC[N@H+](CCNC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000890068706 709729819 /nfs/dbraw/zinc/72/98/19/709729819.db2.gz CFSLWEQWNDBPJL-CQSZACIVSA-N 1 0 321.377 1.476 20 5 DDBDRO C[C@@H](NC(=O)c1c(F)cccc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCN1C ZINC000900807974 709769427 /nfs/dbraw/zinc/76/94/27/709769427.db2.gz XMSLQNVDPQEXSA-ZWNOBZJWSA-N 1 0 324.356 1.098 20 5 DDBDRO C[NH+]1CCC(OCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)CC1 ZINC000901520979 710065113 /nfs/dbraw/zinc/06/51/13/710065113.db2.gz WDRAWOUWCDRKSC-UHFFFAOYSA-N 1 0 311.313 1.783 20 5 DDBDRO COCC[NH+]1CCC(Nc2ncc([N+](=O)[O-])cc2OC)CC1 ZINC000892013314 710352519 /nfs/dbraw/zinc/35/25/19/710352519.db2.gz JRDVZOAVYNSHHA-UHFFFAOYSA-N 1 0 310.354 1.521 20 5 DDBDRO COc1c(O)ccc(CN2C[C@@H]3CCC[NH2+][C@@H]3C2)c1[N+](=O)[O-] ZINC000892059131 710363136 /nfs/dbraw/zinc/36/31/36/710363136.db2.gz WJUYMHYICTYOHB-CMPLNLGQSA-N 1 0 307.350 1.493 20 5 DDBDRO COc1cc([N+](=O)[O-])cnc1NC[C@@H](C)N1CC[NH+](C)CC1 ZINC000892280439 710409121 /nfs/dbraw/zinc/40/91/21/710409121.db2.gz JKWZAEAPRIQEJS-LLVKDONJSA-N 1 0 309.370 1.046 20 5 DDBDRO Cc1ccc(CNC(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)cc1[N+](=O)[O-] ZINC000892293217 710411448 /nfs/dbraw/zinc/41/14/48/710411448.db2.gz SCCUVRMSSRTPLK-DGCLKSJQSA-N 1 0 306.366 1.843 20 5 DDBDRO COc1cc([N+](=O)[O-])cnc1N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000892403104 710430829 /nfs/dbraw/zinc/43/08/29/710430829.db2.gz VAMJEGBIPBJARL-NSHDSACASA-N 1 0 309.370 1.046 20 5 DDBDRO C[C@H]1CCC[N@@H+]1CCNC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000892418108 710434039 /nfs/dbraw/zinc/43/40/39/710434039.db2.gz MZQJGZPLMNSOFH-LBPRGKRZSA-N 1 0 306.366 1.878 20 5 DDBDRO Cc1ccc(CNC(=O)N2CC[C@@]3(CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000892537431 710454070 /nfs/dbraw/zinc/45/40/70/710454070.db2.gz UKRJUNCTLPISBL-MRXNPFEDSA-N 1 0 318.377 1.798 20 5 DDBDRO COc1cc([N+](=O)[O-])cnc1N1C[C@@H]([NH+](C)C)[C@@H](SC)C1 ZINC000893002887 710539750 /nfs/dbraw/zinc/53/97/50/710539750.db2.gz WLCUSIFNSSYSKK-PWSUYJOCSA-N 1 0 312.395 1.480 20 5 DDBDRO C[C@@H]1[C@@H](NC(=O)CSc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000928452783 713203798 /nfs/dbraw/zinc/20/37/98/713203798.db2.gz JKDBAAREQHFQDM-MFKMUULPSA-N 1 0 309.391 1.896 20 5 DDBDRO Cn1ccnc1[C@@H](N[C@H]1C[C@H](C[NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC000902484523 710768185 /nfs/dbraw/zinc/76/81/85/710768185.db2.gz FVQHJENOJQNLRI-WHOFXGATSA-N 1 0 315.377 1.745 20 5 DDBDRO C[NH+](C)C1(C)CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000913398519 713208434 /nfs/dbraw/zinc/20/84/34/713208434.db2.gz MOYDJVCGYLMGHF-UHFFFAOYSA-N 1 0 324.356 1.872 20 5 DDBDRO CC[N@H+]1[C@H](C)CN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)C[C@@H]1C ZINC000912024944 711128748 /nfs/dbraw/zinc/12/87/48/711128748.db2.gz XRCVWIFMDCSPAJ-AOOOYVTPSA-N 1 0 324.356 1.871 20 5 DDBDRO O=C(CN[C@@H]1CC[NH2+]C12CCCC2)Nc1ccccc1[N+](=O)[O-] ZINC000903484538 711141642 /nfs/dbraw/zinc/14/16/42/711141642.db2.gz ASBMKISBEUPQMR-CQSZACIVSA-N 1 0 318.377 1.798 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1NCC1CC[NH+](C2CCOCC2)CC1 ZINC000894478977 711142174 /nfs/dbraw/zinc/14/21/74/711142174.db2.gz HMMTUTXQRMYWBH-UHFFFAOYSA-N 1 0 323.397 1.631 20 5 DDBDRO Cn1cc(CN2C[C@@H](C[NH3+])Cc3cc(F)ccc32)c([N+](=O)[O-])n1 ZINC000903569938 711201508 /nfs/dbraw/zinc/20/15/08/711201508.db2.gz QAVJNJFDIYCRPH-SNVBAGLBSA-N 1 0 319.340 1.605 20 5 DDBDRO O=[N+]([O-])c1sc(C[NH2+]C[C@H]2COCO2)cc1Br ZINC000894886558 711309149 /nfs/dbraw/zinc/30/91/49/711309149.db2.gz WOSXCKVWWPIJNN-LURJTMIESA-N 1 0 323.168 1.881 20 5 DDBDRO O=[N+]([O-])c1cc(Cl)ccc1CN1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000895102738 711413081 /nfs/dbraw/zinc/41/30/81/711413081.db2.gz ZEZMIBSIAGKTSM-CYBMUJFWSA-N 1 0 311.769 1.499 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCCNc2cc[nH+]cc2)c1C ZINC000895798485 711608768 /nfs/dbraw/zinc/60/87/68/711608768.db2.gz HHUUGWKPETUEDF-UHFFFAOYSA-N 1 0 314.345 1.870 20 5 DDBDRO CN(C)c1ccnc(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)c1 ZINC000896298983 711702832 /nfs/dbraw/zinc/70/28/32/711702832.db2.gz NCHQXYUKOKJPCN-UHFFFAOYSA-N 1 0 316.365 1.746 20 5 DDBDRO C[N@H+]1C[C@H]2CN(C(=O)c3cc(Cl)c(N)c([N+](=O)[O-])c3)C[C@H]2C1 ZINC000907805540 712629062 /nfs/dbraw/zinc/62/90/62/712629062.db2.gz UHBPLLKSAAWFKG-AOOOYVTPSA-N 1 0 324.768 1.464 20 5 DDBDRO CC[NH+](CC)C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000921077783 713712103 /nfs/dbraw/zinc/71/21/03/713712103.db2.gz LZGUUBVJWFCTPK-SNVBAGLBSA-N 1 0 324.337 1.963 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)CN1CCOCC1 ZINC000921534464 713801082 /nfs/dbraw/zinc/80/10/82/713801082.db2.gz SEBCADADELIKGE-CYBMUJFWSA-N 1 0 323.393 1.804 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000930544327 713862844 /nfs/dbraw/zinc/86/28/44/713862844.db2.gz FZPHLQURULSURK-RYUDHWBXSA-N 1 0 323.397 1.336 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@@H]([NH+](C)C)[C@H]1C ZINC000931045689 713990138 /nfs/dbraw/zinc/99/01/38/713990138.db2.gz QFAPQQDJDHOTRW-CHWSQXEVSA-N 1 0 320.393 1.866 20 5 DDBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931281278 714056343 /nfs/dbraw/zinc/05/63/43/714056343.db2.gz PWONKJFTVCSPLX-BSLXNSKLSA-N 1 0 318.377 1.414 20 5 DDBDRO C[NH+]1C[C@]2(C)CN(C[C@@H](O)c3ccc([N+](=O)[O-])cc3)C[C@@]2(C)C1 ZINC000931311818 714062485 /nfs/dbraw/zinc/06/24/85/714062485.db2.gz PPYRQDFKJMZAMU-BRWVUGGUSA-N 1 0 319.405 1.902 20 5 DDBDRO COc1ccc(CN2C[C@@H]3CC[N@H+](C)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000931433151 714096523 /nfs/dbraw/zinc/09/65/23/714096523.db2.gz QJSNWSSRKBQFRQ-UONOGXRCSA-N 1 0 305.378 1.987 20 5 DDBDRO COC1(OC)CC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C[C@@H]1O ZINC000931641421 714147487 /nfs/dbraw/zinc/14/74/87/714147487.db2.gz FALIPGCRDOTEOH-RISCZKNCSA-N 1 0 310.350 1.712 20 5 DDBDRO CCCN(C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CC[NH2+]C1 ZINC000923287727 714298390 /nfs/dbraw/zinc/29/83/90/714298390.db2.gz VYEPHGZWBAPTHU-HUUCEWRRSA-N 1 0 323.393 1.408 20 5 DDBDRO COC(C)(C)[C@H](C)[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000932369202 714319108 /nfs/dbraw/zinc/31/91/08/714319108.db2.gz CZRQILDOFBWPNT-NSHDSACASA-N 1 0 321.377 1.887 20 5 DDBDRO CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H](C[NH3+])C(F)(F)F ZINC000923397643 714341641 /nfs/dbraw/zinc/34/16/41/714341641.db2.gz NQJYPHIGQLQQQR-WDEREUQCSA-N 1 0 307.272 1.450 20 5 DDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923521981 714389349 /nfs/dbraw/zinc/38/93/49/714389349.db2.gz ZPVPKXKUNUUOCX-FRRDWIJNSA-N 1 0 318.377 1.463 20 5 DDBDRO Cn1cc(CN2C[C@@H](CC[NH3+])c3ccccc32)c([N+](=O)[O-])n1 ZINC000923553607 714398987 /nfs/dbraw/zinc/39/89/87/714398987.db2.gz LNVQOADMBPUUOZ-LLVKDONJSA-N 1 0 301.350 1.781 20 5 DDBDRO C[NH+]1CCC(OCc2nc(CCC(C)(C)[N+](=O)[O-])no2)CC1 ZINC000924078470 714521938 /nfs/dbraw/zinc/52/19/38/714521938.db2.gz KLMOWVDNQVZPLB-UHFFFAOYSA-N 1 0 312.370 1.668 20 5 DDBDRO Cc1conc1C[NH2+]C1(C)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000940108756 716627627 /nfs/dbraw/zinc/62/76/27/716627627.db2.gz JEROQUNFCBEVDO-DGCLKSJQSA-N 1 0 322.365 1.119 20 5 DDBDRO O=[N+]([O-])c1cc[n+]([O-])c(N2CC3(C2)CC[N@H+](CC2CC2)C3)c1 ZINC001164768146 721279531 /nfs/dbraw/zinc/27/95/31/721279531.db2.gz KNEJGCSGQCHCDA-UHFFFAOYSA-N 1 0 304.350 1.150 20 5 DDBDRO Cc1cc(C(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)ncn1 ZINC001125762297 735538772 /nfs/dbraw/zinc/53/87/72/735538772.db2.gz QSWBOHFRSVBUQA-UHFFFAOYSA-N 1 0 321.362 1.274 20 5 DDBDRO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3cc(F)cc([N+](=O)[O-])c3)[C@H]2C1 ZINC001121199295 782405978 /nfs/dbraw/zinc/40/59/78/782405978.db2.gz NWIVISKYVGODAB-HERUPUMHSA-N 1 0 307.325 1.804 20 5 DDBDRO Cc1cc(CC(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)n[nH]1 ZINC001125542547 734451563 /nfs/dbraw/zinc/45/15/63/734451563.db2.gz PRKOIJNMQXDIME-UHFFFAOYSA-N 1 0 317.349 1.075 20 5 DDBDRO CC[NH+](CC)CC(=O)N(C)CCN(C)c1ccc([N+](=O)[O-])cc1 ZINC001105408364 740998980 /nfs/dbraw/zinc/99/89/80/740998980.db2.gz ZMTXIGWKUFTFJS-UHFFFAOYSA-N 1 0 322.409 1.831 20 5 DDBDRO CC(C)[N@H+](C)CC(=O)N(C)CCN(C)c1ccc([N+](=O)[O-])cc1 ZINC001105415514 741206032 /nfs/dbraw/zinc/20/60/32/741206032.db2.gz WEGNXOQJCQDSSI-UHFFFAOYSA-N 1 0 322.409 1.830 20 5 DDBDRO O=C(NCC[NH2+]Cc1ccc2cc[nH]c2c1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126936942 742843796 /nfs/dbraw/zinc/84/37/96/742843796.db2.gz XXWHZBMEJGNMEC-TZMCWYRMSA-N 1 0 302.334 1.039 20 5 DDBDRO CCc1ccc(CC[NH2+]CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC001126938901 742887052 /nfs/dbraw/zinc/88/70/52/742887052.db2.gz MFEYEPPWXCJXSE-HUUCEWRRSA-N 1 0 305.378 1.163 20 5 DDBDRO CC(C)[C@@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)c1nncn1C ZINC001181645905 743272701 /nfs/dbraw/zinc/27/27/01/743272701.db2.gz IQAQRRYAHCCTRF-GCZXYKMCSA-N 1 0 319.369 1.610 20 5 DDBDRO C[NH+](C)CCOc1cc(NCC2CC(=O)C2)ccc1[N+](=O)[O-] ZINC001168397671 743839675 /nfs/dbraw/zinc/83/96/75/743839675.db2.gz CDNGANNCDCHGHS-UHFFFAOYSA-N 1 0 307.350 1.926 20 5 DDBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@@H]2C[NH2+]CC23CC3)n1 ZINC001212249570 747333505 /nfs/dbraw/zinc/33/35/05/747333505.db2.gz ZTKFNTBZYLSRRZ-QMMMGPOBSA-N 1 0 305.269 1.646 20 5 DDBDRO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@@H](CO)[C@H](CCO)C2)c(Cl)c1 ZINC001198752040 747598785 /nfs/dbraw/zinc/59/87/85/747598785.db2.gz HZEKDJBMNMFTRD-PWSUYJOCSA-N 1 0 314.769 1.671 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(N(C)CCNC(=O)CC[NH+](C)C)c1 ZINC001100299529 750043351 /nfs/dbraw/zinc/04/33/51/750043351.db2.gz LSERWXRHHABILT-UHFFFAOYSA-N 1 0 308.382 1.407 20 5 DDBDRO CCC[N@H+](C)CC(=O)NCCCN(C)c1ccccc1[N+](=O)[O-] ZINC001095605356 750072286 /nfs/dbraw/zinc/07/22/86/750072286.db2.gz HYJKPLSKRAHBGK-UHFFFAOYSA-N 1 0 322.409 1.879 20 5 DDBDRO C[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168970441 762159782 /nfs/dbraw/zinc/15/97/82/762159782.db2.gz HPHHPXAWDCGTRN-UTUOFQBUSA-N 1 0 301.387 1.935 20 5 DDBDRO COCCOc1nccc(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)n1 ZINC001168997123 762169498 /nfs/dbraw/zinc/16/94/98/762169498.db2.gz BOOLHECJYZTLIX-RYUDHWBXSA-N 1 0 310.354 1.037 20 5 DDBDRO CCC1([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CCS(=O)(=O)CC1 ZINC001168998644 762170837 /nfs/dbraw/zinc/17/08/37/762170837.db2.gz PGVRRUBMTDEQDE-NWDGAFQWSA-N 1 0 304.412 1.379 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2cc(OCC3CC3)ncn2)C1 ZINC001168998874 762171049 /nfs/dbraw/zinc/17/10/49/762171049.db2.gz QRRYHXWPWRNLOK-OLZOCXBDSA-N 1 0 306.366 1.800 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2cccc(OC3COC3)n2)C1 ZINC001169000596 762171528 /nfs/dbraw/zinc/17/15/28/762171528.db2.gz XXNFNRXTNYVFBG-NEPJUHHUSA-N 1 0 307.350 1.394 20 5 DDBDRO COC(=O)[C@H](C[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccccc1 ZINC001169006298 762173634 /nfs/dbraw/zinc/17/36/34/762173634.db2.gz XEMYOWHNMRRBIY-AEGPPILISA-N 1 0 306.362 1.978 20 5 DDBDRO O=C(NC1CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1)C1CCC1 ZINC001169027430 762183223 /nfs/dbraw/zinc/18/32/23/762183223.db2.gz PPBLHNBOEVNFLF-DOMZBBRYSA-N 1 0 309.410 1.813 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCN(Cc3ccccn3)CC2)C1 ZINC001169025315 762203143 /nfs/dbraw/zinc/20/31/43/762203143.db2.gz YPIICSGFOJSZDH-GDBMZVCRSA-N 1 0 304.394 1.645 20 5 DDBDRO Cc1ccnc(N([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C2CC[NH2+]CC2)n1 ZINC001169057823 762211298 /nfs/dbraw/zinc/21/12/98/762211298.db2.gz XTOCSADLPBQULL-UKRRQHHQSA-N 1 0 319.409 1.789 20 5 DDBDRO CC[C@H](C)[C@H](Nc1ccc([N+](=O)[O-])c2c1CCN(C)C2)C(N)=O ZINC001169156867 762266375 /nfs/dbraw/zinc/26/63/75/762266375.db2.gz HGNNHVPSOBQYNP-BONVTDFDSA-N 1 0 320.393 1.895 20 5 DDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC2(C1)CC[NH+](CCC1CC1)CC2 ZINC001040699405 762653069 /nfs/dbraw/zinc/65/30/69/762653069.db2.gz CKSDOJRFARQKCQ-HUUCEWRRSA-N 1 0 321.421 1.766 20 5 DDBDRO O=[N+]([O-])c1cnc(Cl)cc1NCc1nnn2c1C[NH2+]CCC2 ZINC001155394307 761113196 /nfs/dbraw/zinc/11/31/96/761113196.db2.gz SQNWFJNYZSLSJD-UHFFFAOYSA-N 1 0 323.744 1.340 20 5 DDBDRO C[C@H](Nc1ccc2nsnc2c1[N+](=O)[O-])[C@H]1C[NH2+]CCO1 ZINC001170569546 768182852 /nfs/dbraw/zinc/18/28/52/768182852.db2.gz JOBMPRSXGLZGKS-OIBJUYFYSA-N 1 0 309.351 1.388 20 5 DDBDRO COc1ccc([N+](=O)[O-])nc1-n1nnc2ccc(C[NH3+])cc21 ZINC001170024097 764117385 /nfs/dbraw/zinc/11/73/85/764117385.db2.gz UYSHLHWQGWZIQB-UHFFFAOYSA-N 1 0 300.278 1.191 20 5 DDBDRO COc1ccc(C[C@H](C)[NH2+]CCn2ccnn2)c([N+](=O)[O-])c1 ZINC001170299817 766228470 /nfs/dbraw/zinc/22/84/70/766228470.db2.gz WOFTUWQZRCPXCV-NSHDSACASA-N 1 0 305.338 1.416 20 5 DDBDRO COc1ccc(C[C@@H](C)[NH2+]CCN2CC[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC001170304245 766230617 /nfs/dbraw/zinc/23/06/17/766230617.db2.gz AIPSWCGNWRDYST-TZMCWYRMSA-N 1 0 323.393 1.191 20 5 DDBDRO COc1ccc(C[C@H](C)[NH2+]C[C@@H]2CCC(=O)N2C)c([N+](=O)[O-])c1 ZINC001170305639 766231577 /nfs/dbraw/zinc/23/15/77/766231577.db2.gz OKTDMJJSZOABSQ-AAEUAGOBSA-N 1 0 321.377 1.745 20 5 DDBDRO C[C@H]1[C@@H](O)CC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC001170324855 766252110 /nfs/dbraw/zinc/25/21/10/766252110.db2.gz SPKJLPROBRZLST-ZANVPECISA-N 1 0 311.313 1.518 20 5 DDBDRO Cc1cc(C[NH+]2CCC(C)(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)on1 ZINC001045436942 766305985 /nfs/dbraw/zinc/30/59/85/766305985.db2.gz ZDRFGMCASZSDAN-CHWSQXEVSA-N 1 0 322.365 1.119 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(NCCOCCOCC[NH3+])c1F ZINC001170513103 767721019 /nfs/dbraw/zinc/72/10/19/767721019.db2.gz SPZKUBIBLPLATH-UHFFFAOYSA-N 1 0 301.318 1.446 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N1CCC[C@](C)(C[NH3+])C1 ZINC001158674907 769006774 /nfs/dbraw/zinc/00/67/74/769006774.db2.gz DZVQGLZILGINMS-CQSZACIVSA-N 1 0 308.338 1.342 20 5 DDBDRO O=C(NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1csc(=O)[nH]1 ZINC001132643713 769061887 /nfs/dbraw/zinc/06/18/87/769061887.db2.gz DKEXXCOCCIBRDN-UHFFFAOYSA-N 1 0 322.346 1.277 20 5 DDBDRO O=C(C1CC1)N1C[C@@H]2C[N@H+](Cc3cccc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC001048635904 769603414 /nfs/dbraw/zinc/60/34/14/769603414.db2.gz LPDNEKDNNDCQOW-GASCZTMLSA-N 1 0 315.373 1.895 20 5 DDBDRO C[NH+](C)CC1(C(=O)NCCNc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC001094089965 775422686 /nfs/dbraw/zinc/42/26/86/775422686.db2.gz QUCODXLYUYTVHE-UHFFFAOYSA-N 1 0 324.356 1.604 20 5 DDBDRO CN(CCNC(=O)C1CC[NH+](C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC001100298684 775958014 /nfs/dbraw/zinc/95/80/14/775958014.db2.gz XVJCGCODWMEAOJ-UHFFFAOYSA-N 1 0 320.393 1.489 20 5 DDBDRO O=C1CC[C@H]([NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CN1 ZINC001172899212 776914335 /nfs/dbraw/zinc/91/43/35/776914335.db2.gz MGNBPZCXQPSCGU-KGLIPLIRSA-N 1 0 303.362 1.710 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@H]2[C@@H]3COC[C@@H]32)c1F ZINC001173186008 777035105 /nfs/dbraw/zinc/03/51/05/777035105.db2.gz QUTZJUQPRNNOPH-APKCBFJXSA-N 1 0 310.325 1.908 20 5 DDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1CCS(=O)(=O)CC1 ZINC001173212982 777067320 /nfs/dbraw/zinc/06/73/20/777067320.db2.gz DWQUAFCZCKGBTC-NSHDSACASA-N 1 0 312.391 1.693 20 5 DDBDRO O=C(NCc1cnc2n1CCC2)c1ccc([N+](=O)[O-])cc1F ZINC001177740630 778718216 /nfs/dbraw/zinc/71/82/16/778718216.db2.gz WERBLJFFPYUPOD-UHFFFAOYSA-N 1 0 304.281 1.807 20 5 DDBDRO CCC(=O)NCC1([NH2+]Cc2c([N+](=O)[O-])ncn2C)CCCCC1 ZINC001115369572 780072580 /nfs/dbraw/zinc/07/25/80/780072580.db2.gz VWEMTTZDGDKALL-UHFFFAOYSA-N 1 0 323.397 1.647 20 5 DDBDRO C[C@@H]1C[C@@H](NC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC001117797907 780902316 /nfs/dbraw/zinc/90/23/16/780902316.db2.gz MZAQQTIFSNKMQN-OSMZGAPFSA-N 1 0 307.350 1.227 20 5 DDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC001118201558 781060372 /nfs/dbraw/zinc/06/03/72/781060372.db2.gz KOEFRJPMBLCCBX-NSHDSACASA-N 1 0 306.366 1.899 20 5 DDBDRO CN(C(=O)NCCc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@H+](C)C1 ZINC001119938551 781688370 /nfs/dbraw/zinc/68/83/70/781688370.db2.gz IWDQMPZJCPLLAZ-HNNXBMFYSA-N 1 0 320.393 1.873 20 5 DDBDRO CC(C)C(=O)N(CCO)CC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001279660352 837885146 /nfs/dbraw/zinc/88/51/46/837885146.db2.gz IJWAVIBEIYAXAN-UHFFFAOYSA-N 1 0 315.395 1.223 20 5 DDBDRO CCCC(=O)NCC1([NH2+]Cc2c([N+](=O)[O-])ncn2C)CCCC1 ZINC001268030586 839456931 /nfs/dbraw/zinc/45/69/31/839456931.db2.gz IKZSNFZLIPYCSF-UHFFFAOYSA-N 1 0 323.397 1.647 20 5 DDBDRO O=C(N[C@H]1CC[C@H]([NH2+]CCCCCF)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001269986131 842201702 /nfs/dbraw/zinc/20/17/02/842201702.db2.gz UTAMNWAKDVFIBO-AAVRWANBSA-N 1 0 315.389 1.808 20 5 DDBDRO C[NH+](C)C[C@H]1COCCN1c1cc([N+](=O)[O-])cc(Cl)n1 ZINC001154962878 861605373 /nfs/dbraw/zinc/60/53/73/861605373.db2.gz WSQWPUGGZIRIOE-JTQLQIEISA-N 1 0 300.746 1.410 20 5 DDBDRO COc1nc(C)c([N+](=O)[O-])c(NC[C@H]2CCC[NH2+]C[C@H]2C)n1 ZINC001155026016 861657089 /nfs/dbraw/zinc/65/70/89/861657089.db2.gz RMUDOASUTPKFPH-MWLCHTKSSA-N 1 0 309.370 1.749 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])c(NCC[C@H]2CCOC23C[NH2+]C3)n1 ZINC001155477715 862134086 /nfs/dbraw/zinc/13/40/86/862134086.db2.gz OFVFVCBDDKYKSD-LBPRGKRZSA-N 1 0 306.366 1.787 20 5 DDBDRO O=[N+]([O-])c1cc(Cl)nc(NC[C@@H]2OC[C@H]3C[NH2+]CC[C@H]32)c1 ZINC001155515610 862180616 /nfs/dbraw/zinc/18/06/16/862180616.db2.gz ZTOKCDOSWXUXCQ-IEBDPFPHSA-N 1 0 312.757 1.680 20 5 DDBDRO O=[N+]([O-])c1cc(Cl)nc(NC[C@H]2OC[C@H]3C[NH2+]CC[C@H]32)c1 ZINC001155515609 862180913 /nfs/dbraw/zinc/18/09/13/862180913.db2.gz ZTOKCDOSWXUXCQ-FBIMIBRVSA-N 1 0 312.757 1.680 20 5 DDBDRO O=[N+]([O-])c1cnc(Cl)nc1N[C@H]1CCO[C@]2(CC[NH2+]C2)C1 ZINC001155619269 862298319 /nfs/dbraw/zinc/29/83/19/862298319.db2.gz OVENNTQZYBKECM-QPUJVOFHSA-N 1 0 313.745 1.361 20 5 DDBDRO [NH3+]CCN(CCO)c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC001155952620 862590187 /nfs/dbraw/zinc/59/01/87/862590187.db2.gz DKKNURNOPVTUQO-UHFFFAOYSA-N 1 0 320.324 1.553 20 5 DDBDRO C[NH+](C)CCONC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC001328383051 862941663 /nfs/dbraw/zinc/94/16/63/862941663.db2.gz OTSZUCCDBJNPAU-UHFFFAOYSA-N 1 0 310.354 1.396 20 5 DDBDRO C[C@@H]1[NH2+]CCN(C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)[C@H]1C ZINC001121939126 858640428 /nfs/dbraw/zinc/64/04/28/858640428.db2.gz ZYXSDKHFOCUETM-LWWSYDQCSA-N 1 0 303.362 1.907 20 5 DDBDRO O=C(CCc1cc(F)ccc1[N+](=O)[O-])N1CCC2(C[NH2+]C2)CC1 ZINC001122129538 858692343 /nfs/dbraw/zinc/69/23/43/858692343.db2.gz QBCGEOAEAZFDBG-UHFFFAOYSA-N 1 0 321.352 1.879 20 5 DDBDRO CN(C(=O)c1ccc([N+](=O)[O-])c2cccnc12)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001122475332 858839455 /nfs/dbraw/zinc/83/94/55/858839455.db2.gz RCTGYKAPZZXVGB-JYAVWHMHSA-N 1 0 312.329 1.433 20 5 DDBDRO Cn1cccc1C(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001123648247 859342895 /nfs/dbraw/zinc/34/28/95/859342895.db2.gz RDQOWLOASIKBHF-UHFFFAOYSA-N 1 0 302.334 1.453 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001124003007 859518515 /nfs/dbraw/zinc/51/85/15/859518515.db2.gz LTZJFFNLQYMPOH-NILFDRSVSA-N 1 0 303.362 1.973 20 5 DDBDRO C[NH+]1CCN(CCO[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001224551121 881444831 /nfs/dbraw/zinc/44/48/31/881444831.db2.gz CUFDBGZWXBCCOM-INIZCTEOSA-N 1 0 305.378 1.326 20 5 DDBDRO C[C@@H](OCC[N+](C)(C)C)[C@H]1CN(Cc2ccccc2)CCO1 ZINC001224772686 881528905 /nfs/dbraw/zinc/52/89/05/881528905.db2.gz BPFBQZSDQDQDDC-SJLPKXTDSA-N 1 0 307.458 1.999 20 5 DDBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001140146664 860583377 /nfs/dbraw/zinc/58/33/77/860583377.db2.gz IOEVCMKPKWHJDA-ZYHUDNBSSA-N 1 0 319.365 1.271 20 5 DDBDRO Cn1cnc(C(=O)NCCC[NH2+]Cc2ccccc2[N+](=O)[O-])c1 ZINC001156557870 863145986 /nfs/dbraw/zinc/14/59/86/863145986.db2.gz UCBOKZKZMGUEIZ-UHFFFAOYSA-N 1 0 317.349 1.238 20 5 DDBDRO CC(C)(C(=O)NCc1ccccc1C[NH3+])n1cc([N+](=O)[O-])cn1 ZINC001329117653 863487685 /nfs/dbraw/zinc/48/76/85/863487685.db2.gz DVBDPEMKBFKOQU-UHFFFAOYSA-N 1 0 317.349 1.302 20 5 DDBDRO CC(C)[N@H+](C)[C@H]1CCN(c2cc([N+](=O)[O-])cc(Cl)[n+]2[O-])C1 ZINC001157018972 863520467 /nfs/dbraw/zinc/52/04/67/863520467.db2.gz CAACTYFFDNCINM-JTQLQIEISA-N 1 0 314.773 1.801 20 5 DDBDRO O=[N+]([O-])c1ccccc1NCCc1noc([C@@H]2[NH2+]C[C@@H]3C[C@@H]32)n1 ZINC001329234514 863552679 /nfs/dbraw/zinc/55/26/79/863552679.db2.gz DUCIDRZRMWLVSQ-PKFCDNJMSA-N 1 0 315.333 1.913 20 5 DDBDRO O=C(NCCC[NH2+]CC1CCC(F)(F)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157767034 864117963 /nfs/dbraw/zinc/11/79/63/864117963.db2.gz DOALTVOGNHJLPA-VXGBXAGGSA-N 1 0 319.352 1.573 20 5 DDBDRO COc1nc(-n2cnc(C)c2CSCC[NH3+])ccc1[N+](=O)[O-] ZINC001157961596 864309140 /nfs/dbraw/zinc/30/91/40/864309140.db2.gz ITLOUYAIKLLKRS-UHFFFAOYSA-N 1 0 323.378 1.684 20 5 DDBDRO CN(CC(C)(C)C[NH+](C)C)C(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001158544755 864715580 /nfs/dbraw/zinc/71/55/80/864715580.db2.gz ILWFAPRJENINAQ-UHFFFAOYSA-N 1 0 309.370 1.232 20 5 DDBDRO CO[C@@H]1CN(c2ccc(-c3ccc([N+](=O)[O-])cc3)nn2)C[C@@H]1[NH3+] ZINC001158711465 864837952 /nfs/dbraw/zinc/83/79/52/864837952.db2.gz RATUHCUGOYWMTQ-GXTWGEPZSA-N 1 0 315.333 1.214 20 5 DDBDRO C[NH2+][C@@H](C)CCNC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC001331467272 865103118 /nfs/dbraw/zinc/10/31/18/865103118.db2.gz UVXRPMMGSXFTPP-LBPRGKRZSA-N 1 0 308.382 1.777 20 5 DDBDRO [NH3+]C1(CO)CCN(c2cccc(C(F)(F)F)c2[N+](=O)[O-])CC1 ZINC001331557849 865154258 /nfs/dbraw/zinc/15/42/58/865154258.db2.gz RFOQIMNYWNZMEX-UHFFFAOYSA-N 1 0 319.283 1.904 20 5 DDBDRO CN(CC[NH3+])CCNC(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1 ZINC001159432138 865286701 /nfs/dbraw/zinc/28/67/01/865286701.db2.gz RPDUJKRMMGNIKU-UHFFFAOYSA-N 1 0 323.731 1.173 20 5 DDBDRO C[C@@H](Nc1ccc2ccc([N+](=O)[O-])cc2n1)[C@@H]1C[NH2+]CCO1 ZINC001159499815 865354280 /nfs/dbraw/zinc/35/42/80/865354280.db2.gz VRFXRLTYBSYQKR-YGRLFVJLSA-N 1 0 302.334 1.932 20 5 DDBDRO COc1cc(C)nc(N[C@]2(C[NH3+])CN3CCC2CC3)c1[N+](=O)[O-] ZINC001160509804 865890258 /nfs/dbraw/zinc/89/02/58/865890258.db2.gz AJRAOOPUZYRBCI-OAHLLOKOSA-N 1 0 321.381 1.142 20 5 DDBDRO COCCC1(CNc2ncc(F)cc2[N+](=O)[O-])CC[NH2+]CC1 ZINC001161497340 866712985 /nfs/dbraw/zinc/71/29/85/866712985.db2.gz NIJQDCKZSRNMJV-UHFFFAOYSA-N 1 0 312.345 1.947 20 5 DDBDRO O=C(c1c[nH]nc1[N+](=O)[O-])N1CCCN(c2cc[nH+]cc2)CC1 ZINC001161520888 866732571 /nfs/dbraw/zinc/73/25/71/866732571.db2.gz FQYFQOYNKNNVDO-UHFFFAOYSA-N 1 0 316.321 1.065 20 5 DDBDRO Cc1nc(N2CCC([NH3+])(c3cccnc3)CC2)ncc1[N+](=O)[O-] ZINC001161586896 866789410 /nfs/dbraw/zinc/78/94/10/866789410.db2.gz HVRJYTGAVGOOPW-UHFFFAOYSA-N 1 0 314.349 1.543 20 5 DDBDRO O=C([C@H](O)c1cccc([N+](=O)[O-])c1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001324437772 867279285 /nfs/dbraw/zinc/27/92/85/867279285.db2.gz BXZIUFYWYHXUNM-LSDHHAIUSA-N 1 0 319.361 1.325 20 5 DDBDRO Cc1cnccc1CNc1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-] ZINC001162720018 867762130 /nfs/dbraw/zinc/76/21/30/867762130.db2.gz LMAIYKIVFOORSL-UHFFFAOYSA-N 1 0 300.322 1.387 20 5 DDBDRO COC(=O)[C@@H](Nc1cc([N+](=O)[O-])cc2cc[nH]c21)C(C)(C)[NH3+] ZINC001162947425 867936390 /nfs/dbraw/zinc/93/63/90/867936390.db2.gz HIELRNGHQSWHEQ-GFCCVEGCSA-N 1 0 306.322 1.767 20 5 DDBDRO COc1cc(Nc2ccc([C@@H](C[NH3+])CO)cc2)ncc1[N+](=O)[O-] ZINC001163052188 868039922 /nfs/dbraw/zinc/03/99/22/868039922.db2.gz CUXXUACVQSZQCZ-NSHDSACASA-N 1 0 318.333 1.777 20 5 DDBDRO O=[N+]([O-])c1cnc(NCC[C@@H]2C[NH2+]Cc3cccn3C2)cn1 ZINC001163061076 868045443 /nfs/dbraw/zinc/04/54/43/868045443.db2.gz RUJOTHQRIFKGGW-LLVKDONJSA-N 1 0 302.338 1.408 20 5 DDBDRO C[C@H]1[C@H](NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CC[N@@H+]1C ZINC001335230804 868160008 /nfs/dbraw/zinc/16/00/08/868160008.db2.gz REBSTVOKKFOCFN-XHDPSFHLSA-N 1 0 318.377 1.755 20 5 DDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC001322508679 868211990 /nfs/dbraw/zinc/21/19/90/868211990.db2.gz DSCBPRSDGRWPMN-BMIGLBTASA-N 1 0 318.377 1.849 20 5 DDBDRO NC(=O)c1ccnc(N[C@@H]2C[NH2+]Cc3ccsc32)c1[N+](=O)[O-] ZINC001163227171 868232707 /nfs/dbraw/zinc/23/27/07/868232707.db2.gz RAYSRLRGUZYEPD-SECBINFHSA-N 1 0 319.346 1.407 20 5 DDBDRO CC(C)N(C)CC[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC001335365109 868250328 /nfs/dbraw/zinc/25/03/28/868250328.db2.gz AGSIURQAOFYGPW-AWEZNQCLSA-N 1 0 311.382 1.264 20 5 DDBDRO COC[C@@H]1C[NH2+]CCN1C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC001335369810 868255278 /nfs/dbraw/zinc/25/52/78/868255278.db2.gz YLMDTUXHNQBRQU-FZMZJTMJSA-N 1 0 322.365 1.286 20 5 DDBDRO COc1cnc(NC[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)cc1[N+](=O)[O-] ZINC001163277391 868300052 /nfs/dbraw/zinc/30/00/52/868300052.db2.gz FNGSKQAGGBCWTE-XHDPSFHLSA-N 1 0 322.365 1.569 20 5 DDBDRO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC001322681421 868321322 /nfs/dbraw/zinc/32/13/22/868321322.db2.gz WCSHCHZBWHJZOG-HUUCEWRRSA-N 1 0 321.377 1.963 20 5 DDBDRO COCn1ncc(C)c1CN(CC[NH3+])c1ccccc1[N+](=O)[O-] ZINC001335534447 868366895 /nfs/dbraw/zinc/36/68/95/868366895.db2.gz VWDXNNGHSAQKSU-UHFFFAOYSA-N 1 0 319.365 1.669 20 5 DDBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001335565330 868387723 /nfs/dbraw/zinc/38/77/23/868387723.db2.gz HYCRISVRUHFJHN-KGLIPLIRSA-N 1 0 306.366 1.334 20 5 DDBDRO CC(C)C(=O)NCCC1(C[NH2+]Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC001163458673 868466346 /nfs/dbraw/zinc/46/63/46/868466346.db2.gz VHYCIQZCJQQUQB-UHFFFAOYSA-N 1 0 323.397 1.360 20 5 DDBDRO Cc1n[nH]cc1C(=O)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001163661573 868601553 /nfs/dbraw/zinc/60/15/53/868601553.db2.gz YHDBHDGQKYUORQ-UHFFFAOYSA-N 1 0 317.349 1.536 20 5 DDBDRO CN(CC(=O)N[C@@H]1C[NH+]2CCC1CC2)c1ccccc1[N+](=O)[O-] ZINC001336082829 868720418 /nfs/dbraw/zinc/72/04/18/868720418.db2.gz WMJGQGIXACEEFN-CYBMUJFWSA-N 1 0 318.377 1.241 20 5 DDBDRO O=[N+]([O-])c1cc2c(nc1N1CC([NH2+][C@@H]3CCOC3)C1)CCCC2 ZINC001164233792 869042301 /nfs/dbraw/zinc/04/23/01/869042301.db2.gz BRPVJSOJWRFLRZ-GFCCVEGCSA-N 1 0 318.377 1.436 20 5 DDBDRO COC(=O)c1cc(C)nc(NC[C@H]2CCCC[N@@H+]2C)c1[N+](=O)[O-] ZINC001336745182 869120673 /nfs/dbraw/zinc/12/06/73/869120673.db2.gz GNMRDFSFHOMKDA-LLVKDONJSA-N 1 0 322.365 1.981 20 5 DDBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2C[C@@H](C[NH3+])CC[C@H]2C)n1 ZINC001164473853 869219162 /nfs/dbraw/zinc/21/91/62/869219162.db2.gz KBQXLNCUXGCNHZ-LDYMZIIASA-N 1 0 322.369 1.215 20 5 DDBDRO CO[C@H]1CN(C(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)C[C@H]1[NH3+] ZINC001165204750 869428423 /nfs/dbraw/zinc/42/84/23/869428423.db2.gz UKXJYFFENIBPBK-APPZFPTMSA-N 1 0 322.699 1.350 20 5 DDBDRO O=[N+]([O-])c1ccc2nc(N3CC[C@@H]4[NH2+]CCO[C@H]4C3)cnc2c1 ZINC001165270040 869482365 /nfs/dbraw/zinc/48/23/65/869482365.db2.gz VFIXDEIFMGZSFX-JSGCOSHPSA-N 1 0 315.333 1.105 20 5 DDBDRO O=[N+]([O-])c1cccc2ncnc(N3CC[C@@H]4[NH2+]CCO[C@H]4C3)c21 ZINC001165274076 869486431 /nfs/dbraw/zinc/48/64/31/869486431.db2.gz GAQZTEGAOZMEJE-GWCFXTLKSA-N 1 0 315.333 1.105 20 5 DDBDRO O=[N+]([O-])c1cnc(N2CCC(C3C[NH2+]C3)CC2)c([N+](=O)[O-])c1 ZINC001165410599 869576342 /nfs/dbraw/zinc/57/63/42/869576342.db2.gz KACZTLSGYDANGO-UHFFFAOYSA-N 1 0 307.310 1.334 20 5 DDBDRO Cc1nc(Cl)nc(N2CC[C@H]([NH3+])C(F)(F)C2)c1[N+](=O)[O-] ZINC001166960411 870421872 /nfs/dbraw/zinc/42/18/72/870421872.db2.gz PFTLQFFPDMEOGI-LURJTMIESA-N 1 0 307.688 1.519 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1nc2cc(Cl)ccc2o1 ZINC001226462211 882446062 /nfs/dbraw/zinc/44/60/62/882446062.db2.gz FYGCIKFZWNISCO-SNVBAGLBSA-N 1 0 313.761 1.844 20 5 DDBDRO O=C([C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC001340180054 870942012 /nfs/dbraw/zinc/94/20/12/870942012.db2.gz ALARZOOYBQFUQS-LCGIIJARSA-N 1 0 315.373 1.909 20 5 DDBDRO CN(C)c1cc[nH+]c(CNC(=O)c2cccc([N+](=O)[O-])c2N)c1 ZINC001303681008 871149422 /nfs/dbraw/zinc/14/94/22/871149422.db2.gz PKMMHBBAFBVTSK-UHFFFAOYSA-N 1 0 315.333 1.568 20 5 DDBDRO CC[N@@H+]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])cnc2N)C(C)(C)C1 ZINC001304042932 871180682 /nfs/dbraw/zinc/18/06/82/871180682.db2.gz PDXVASBSPYWUHN-LLVKDONJSA-N 1 0 307.354 1.032 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001341422297 871654407 /nfs/dbraw/zinc/65/44/07/871654407.db2.gz HXFPHGPJFPJVTP-OUAUKWLOSA-N 1 0 305.334 1.616 20 5 DDBDRO [NH3+]CCN(Cc1nc(CO)cs1)c1ccc([N+](=O)[O-])cc1 ZINC001205667927 871683184 /nfs/dbraw/zinc/68/31/84/871683184.db2.gz RXSBOPNHDFJTOG-UHFFFAOYSA-N 1 0 308.363 1.509 20 5 DDBDRO CN1CCO[C@H](COc2ncnc3cc(F)c([N+](=O)[O-])cc32)C1 ZINC001226808743 882665969 /nfs/dbraw/zinc/66/59/69/882665969.db2.gz XZAQVYTVYFHQQP-VIFPVBQESA-N 1 0 322.296 1.387 20 5 DDBDRO CCn1cc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)c(=O)[nH]c1=O ZINC001207858551 873617890 /nfs/dbraw/zinc/61/78/90/873617890.db2.gz ULRYWDJRLKUVAF-UHFFFAOYSA-N 1 0 318.333 1.209 20 5 DDBDRO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccc([N+](=O)[O-])cc3[O-])[C@H]2C1 ZINC001347597693 874205669 /nfs/dbraw/zinc/20/56/69/874205669.db2.gz RYERSXZWKPHXGH-XDTLVQLUSA-N 1 0 305.334 1.370 20 5 DDBDRO C[NH2+][C@H](C)CCNS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC001349307268 875105210 /nfs/dbraw/zinc/10/52/10/875105210.db2.gz QHSVURAQQMTGEX-SNVBAGLBSA-N 1 0 315.395 1.488 20 5 DDBDRO CC(=O)N1CCC([N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001351065404 876041431 /nfs/dbraw/zinc/04/14/31/876041431.db2.gz JXCFZBZHDZWAFB-UHFFFAOYSA-N 1 0 303.362 1.964 20 5 DDBDRO COc1c(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](C)C[C@@H]23)cccc1[N+](=O)[O-] ZINC001353285487 877229434 /nfs/dbraw/zinc/22/94/34/877229434.db2.gz NQVUXIRYFZSNKY-RAIGVLPGSA-N 1 0 319.361 1.673 20 5 DDBDRO CC(=O)Nc1cc(O[C@H]2CC[NH2+]C2)c(C(C)=O)cc1[N+](=O)[O-] ZINC001218183540 877415621 /nfs/dbraw/zinc/41/56/21/877415621.db2.gz QVWSDICDSPFKMK-JTQLQIEISA-N 1 0 307.306 1.497 20 5 DDBDRO O=C(Nc1cc2cccnc2c2ncccc12)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001218979995 877851627 /nfs/dbraw/zinc/85/16/27/877851627.db2.gz OJEPWWBCGIQJHU-FZMZJTMJSA-N 1 0 308.341 1.444 20 5 DDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N(C)CC[N@H+](C)CCO ZINC001219044232 877886566 /nfs/dbraw/zinc/88/65/66/877886566.db2.gz XVABQDJSQRKVPU-UHFFFAOYSA-N 1 0 324.381 1.545 20 5 DDBDRO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)/C=C\c1ccc([N+](=O)[O-])cc1)C2 ZINC001355587602 878631984 /nfs/dbraw/zinc/63/19/84/878631984.db2.gz RNFHWEUFMLYROV-YIYITFMSSA-N 1 0 301.346 1.946 20 5 DDBDRO CN(CC1CC[NH2+]CC1)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC001356361231 879014949 /nfs/dbraw/zinc/01/49/49/879014949.db2.gz BJRJTYPOYSUPLY-UHFFFAOYSA-N 1 0 305.378 1.985 20 5 DDBDRO O=C(NCC12CC(C1)C[NH2+]2)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001357874478 880235047 /nfs/dbraw/zinc/23/50/47/880235047.db2.gz VFJGHEHLBAHBHE-STOOLFAPSA-N 1 0 301.346 1.567 20 5 DDBDRO COC(=O)c1cccc([N+](=O)[O-])c1CO[C@H](C)C[N+](C)(C)C ZINC001222778363 880694653 /nfs/dbraw/zinc/69/46/53/880694653.db2.gz WJRSKQQAADWZRF-LLVKDONJSA-N 1 0 311.358 1.993 20 5 DDBDRO CC[N@@H+]1CC[C@@H](O[C@@H](C(=O)OC)c2ccccc2[N+](=O)[O-])C1 ZINC001223641641 881038693 /nfs/dbraw/zinc/03/86/93/881038693.db2.gz BWAWFJWQFFSOLE-BXUZGUMPSA-N 1 0 308.334 1.920 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cc(Cl)nnc1Cl ZINC001227653195 883119873 /nfs/dbraw/zinc/11/98/73/883119873.db2.gz OFJQDWKLDSUEGF-SSDOTTSWSA-N 1 0 309.173 1.146 20 5 DDBDRO C[C@H](C[N+](C)(C)C)Oc1n[nH]c(=O)c2ccc([N+](=O)[O-])cc21 ZINC001229364336 883944664 /nfs/dbraw/zinc/94/46/64/883944664.db2.gz JFKVHEZVNCXDRA-SECBINFHSA-O 1 0 307.330 1.717 20 5 DDBDRO CC[N@@H+]1CC[C@H](Oc2n[nH]c(=O)c3cccc([N+](=O)[O-])c32)C1 ZINC001229368140 883948117 /nfs/dbraw/zinc/94/81/17/883948117.db2.gz WYYFWUAQYIARTN-VIFPVBQESA-N 1 0 304.306 1.717 20 5 DDBDRO COc1cc(OC(=O)C[C@@H](O)C[N+](C)(C)C)ccc1Cl ZINC001230981583 885107584 /nfs/dbraw/zinc/10/75/84/885107584.db2.gz QBTBMFLNLJIPIB-SNVBAGLBSA-N 1 0 302.778 1.711 20 5 DDBDRO NC(=O)[C@H]1CN(Cc2ccc3ccc4cccnc4c3n2)CCO1 ZINC001232221550 886168605 /nfs/dbraw/zinc/16/86/05/886168605.db2.gz AKYOVOCQOPFFRJ-OAHLLOKOSA-N 1 0 322.368 1.469 20 5 DDBDRO COC(=O)[C@@H]1C[C@@H]([NH3+])CN1[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001246908080 892982798 /nfs/dbraw/zinc/98/27/98/892982798.db2.gz UIVRZUILZQLROZ-QKCSRTOESA-N 1 0 307.350 1.100 20 5 DDBDRO CC(C)(C)[NH+]1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC001253303954 895784018 /nfs/dbraw/zinc/78/40/18/895784018.db2.gz LTGDCMXCDBCSHH-UHFFFAOYSA-N 1 0 320.393 1.949 20 5 DDBDRO [NH3+][C@@H]1CCCN(C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254465849 896454049 /nfs/dbraw/zinc/45/40/49/896454049.db2.gz NLAKOBHVRNZBHZ-CYBMUJFWSA-N 1 0 304.394 1.987 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC([N@H+]3C[C@@H](F)C[C@H]3CO)CC2)cc1 ZINC001254476642 896457063 /nfs/dbraw/zinc/45/70/63/896457063.db2.gz VBRIJEVUWVHYRR-LRDDRELGSA-N 1 0 323.368 1.968 20 5 DDBDRO CC(=O)N1CC[C@@H](C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001254543687 896496373 /nfs/dbraw/zinc/49/63/73/896496373.db2.gz FWMDNTXLEBQAGI-JSGCOSHPSA-N 1 0 305.378 1.984 20 5 DDBDRO COC(=O)CO[C@H]1CC[N@@H+]([C@@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001254571273 896509278 /nfs/dbraw/zinc/50/92/78/896509278.db2.gz RMMZAFRBWLVADD-JSGCOSHPSA-N 1 0 322.361 1.790 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]C1CN(c3ccncn3)C1)C2 ZINC001254586223 896518598 /nfs/dbraw/zinc/51/85/98/896518598.db2.gz INMQZZRBHBKJOC-ZDUSSCGKSA-N 1 0 311.345 1.330 20 5 DDBDRO CC(C)(O)C[NH+]1CCN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254610318 896531795 /nfs/dbraw/zinc/53/17/95/896531795.db2.gz LDKKEVKEGPXEHS-INIZCTEOSA-N 1 0 319.405 1.451 20 5 DDBDRO COc1cc(N2CCC([NH2+][C@H]3C[C@H](O)C3)CC2)ccc1[N+](=O)[O-] ZINC001256087295 897279481 /nfs/dbraw/zinc/27/94/81/897279481.db2.gz VWMWXIQJTIQSAV-MQMHXKEQSA-N 1 0 321.377 1.685 20 5 DDBDRO Cc1nc(NC2CC[NH+]([C@H]3CCOC3)CC2)ncc1[N+](=O)[O-] ZINC001261658295 899686780 /nfs/dbraw/zinc/68/67/80/899686780.db2.gz BDQKXBRMDWNEBZ-LBPRGKRZSA-N 1 0 307.354 1.358 20 5 DDBDRO C[C@@H](C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)Cn1ccnc1 ZINC001262562558 900246170 /nfs/dbraw/zinc/24/61/70/900246170.db2.gz DZFCCXBRPPIPQB-SWLSCSKDSA-N 1 0 304.350 1.751 20 5 DDBDRO C[C@H](CNC(=O)NCC[C@H]1CC[NH2+]C1)c1ccccc1[N+](=O)[O-] ZINC001262584825 900261652 /nfs/dbraw/zinc/26/16/52/900261652.db2.gz MLDYQLFSOHWDSX-CHWSQXEVSA-N 1 0 320.393 1.997 20 5 DDBDRO CC1(C)C[NH2+]C[C@@H]1NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC001263240964 900545993 /nfs/dbraw/zinc/54/59/93/900545993.db2.gz YLLRVAJZUSCSOV-ZDUSSCGKSA-N 1 0 306.366 1.511 20 5 DDBDRO COc1ccc(C(=O)N2CC[C@H]3CC[C@@]32C[NH3+])cc1[N+](=O)[O-] ZINC001263257252 900550098 /nfs/dbraw/zinc/55/00/98/900550098.db2.gz PLWRGEAHFFPSIP-IAQYHMDHSA-N 1 0 305.334 1.557 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001265581124 902156715 /nfs/dbraw/zinc/15/67/15/902156715.db2.gz QPVKZRBTWBKZJE-ZDUSSCGKSA-N 1 0 320.393 1.928 20 5 DDBDRO CC[NH+](CC)[C@H](C)CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000076962890 185061557 /nfs/dbraw/zinc/06/15/57/185061557.db2.gz VBBPHEUDTPZGLU-SECBINFHSA-N 1 0 312.345 1.776 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NCCCC[NH+]1CCOCC1 ZINC000048285191 352533990 /nfs/dbraw/zinc/53/39/90/352533990.db2.gz NQUHDRDOFNFKQN-UHFFFAOYSA-N 1 0 322.365 1.140 20 5 DDBDRO C[NH+](C)CCNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000082250951 185174517 /nfs/dbraw/zinc/17/45/17/185174517.db2.gz NQPHTFXASHTKCD-UHFFFAOYSA-N 1 0 306.366 1.486 20 5 DDBDRO O=C1C[C@]2(CC[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)C2)CN1 ZINC000278917651 214494813 /nfs/dbraw/zinc/49/48/13/214494813.db2.gz RDDCCILCFQEFNH-OAHLLOKOSA-N 1 0 305.334 1.186 20 5 DDBDRO CC1(C)CN(Cc2ccc([N+](=O)[O-])cc2F)CC[N@@H+]1CCO ZINC000614920193 362076271 /nfs/dbraw/zinc/07/62/71/362076271.db2.gz GSJLAKZVTZSJRO-UHFFFAOYSA-N 1 0 311.357 1.622 20 5 DDBDRO C[NH+]1CCC(C)(CNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000278113819 213967697 /nfs/dbraw/zinc/96/76/97/213967697.db2.gz SAKCHDBSMDIWIK-UHFFFAOYSA-N 1 0 308.338 1.157 20 5 DDBDRO CN(CC[NH3+])C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000424012370 529905732 /nfs/dbraw/zinc/90/57/32/529905732.db2.gz TUPUVXFEGFMFFM-UHFFFAOYSA-N 1 0 316.155 1.317 20 5 DDBDRO C[C@@H](O)CC[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000181719139 199343466 /nfs/dbraw/zinc/34/34/66/199343466.db2.gz RTUDZMVWTDWDJC-SNVBAGLBSA-N 1 0 313.329 1.765 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCC1(C)CC[NH2+]CC1 ZINC000183332711 199576453 /nfs/dbraw/zinc/57/64/53/199576453.db2.gz OXOLGXLAWZDPIB-UHFFFAOYSA-N 1 0 320.393 1.780 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NCC[N@H+]1CC=CCC1 ZINC000279788244 215146636 /nfs/dbraw/zinc/14/66/36/215146636.db2.gz CYMYFYUIUKIXEA-UHFFFAOYSA-N 1 0 305.334 1.595 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)NCC[N@H+]1CC=CCC1 ZINC000279920349 215237720 /nfs/dbraw/zinc/23/77/20/215237720.db2.gz GCVMHUXXZOUKAI-UHFFFAOYSA-N 1 0 305.334 1.352 20 5 DDBDRO C[C@H]1NC(=O)N(CC[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])C1=O ZINC000459493768 233249305 /nfs/dbraw/zinc/24/93/05/233249305.db2.gz PXCXSNOIECOMON-SNVBAGLBSA-N 1 0 320.349 1.360 20 5 DDBDRO COCC1CC[NH+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000181875363 186213455 /nfs/dbraw/zinc/21/34/55/186213455.db2.gz YECSXHSDGRRRLQ-CQSZACIVSA-N 1 0 324.377 1.693 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(C)[C@@H](C)C[NH3+])c1C ZINC000237489855 186296725 /nfs/dbraw/zinc/29/67/25/186296725.db2.gz AFKJCFVLHINRRR-VIFPVBQESA-N 1 0 301.368 1.179 20 5 DDBDRO CCc1n[nH]c(C(=O)NC2CC[NH+](CC(C)C)CC2)c1[N+](=O)[O-] ZINC000171773792 197981918 /nfs/dbraw/zinc/98/19/18/197981918.db2.gz NZDFTQWABGBBEM-UHFFFAOYSA-N 1 0 323.397 1.731 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@H]3CCCC[C@@H]32)c1 ZINC000331774300 234107492 /nfs/dbraw/zinc/10/74/92/234107492.db2.gz KWJAWZSCYDCDRB-YUELXQCFSA-N 1 0 308.382 1.807 20 5 DDBDRO CNc1ccc(C(=O)NCC[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000047141268 352482873 /nfs/dbraw/zinc/48/28/73/352482873.db2.gz SXTSBEALDSFEDC-UHFFFAOYSA-N 1 0 306.366 1.852 20 5 DDBDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000054375840 352690704 /nfs/dbraw/zinc/69/07/04/352690704.db2.gz PMVQBQCCURMVQR-GFCCVEGCSA-N 1 0 310.354 1.010 20 5 DDBDRO CC(C)[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000067159197 353036575 /nfs/dbraw/zinc/03/65/75/353036575.db2.gz UZPIWHCKRAIHBA-UHFFFAOYSA-N 1 0 323.349 1.436 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC[N@@H+](C)C1CC1 ZINC000066870925 353020634 /nfs/dbraw/zinc/02/06/34/353020634.db2.gz YMOJPVTULSDHNR-UHFFFAOYSA-N 1 0 313.379 1.276 20 5 DDBDRO CC(C)[N@@H+]1CCCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000068800124 353131144 /nfs/dbraw/zinc/13/11/44/353131144.db2.gz RRCXSWZIQAARNL-UHFFFAOYSA-N 1 0 306.366 1.733 20 5 DDBDRO CC[NH+](CC)[C@H]1CCN(C(=O)c2c([N+](=O)[O-])c(C)nn2C)C1 ZINC000174161379 198300605 /nfs/dbraw/zinc/30/06/05/198300605.db2.gz ZOIIAUNWUOPVDV-NSHDSACASA-N 1 0 309.370 1.193 20 5 DDBDRO C[C@@H](c1ccccc1)[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174663738 198367469 /nfs/dbraw/zinc/36/74/69/198367469.db2.gz AWSBLIBGLYVMAC-WFASDCNBSA-N 1 0 304.350 1.845 20 5 DDBDRO CC(C)C[NH+]1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000078362792 353513579 /nfs/dbraw/zinc/51/35/79/353513579.db2.gz LHAHNLNPRNHUAV-UHFFFAOYSA-N 1 0 305.378 1.938 20 5 DDBDRO Cc1cc([N+](=O)[O-])cnc1NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000089603087 353776510 /nfs/dbraw/zinc/77/65/10/353776510.db2.gz RTGGWWRAXWKPGN-ZDUSSCGKSA-N 1 0 306.366 1.963 20 5 DDBDRO O=[N+]([O-])c1cnc2ccc(N3CCC[C@@H]([NH+]4CCCC4)C3)nn21 ZINC000091453504 353826385 /nfs/dbraw/zinc/82/63/85/353826385.db2.gz NSPXOLKCIXWXBR-GFCCVEGCSA-N 1 0 316.365 1.702 20 5 DDBDRO Cc1cc(N(C)CCC[NH+]2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000092652826 353865705 /nfs/dbraw/zinc/86/57/05/353865705.db2.gz LSLQDRBFDPTIFP-UHFFFAOYSA-N 1 0 306.410 1.977 20 5 DDBDRO C[C@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC000096693987 353915960 /nfs/dbraw/zinc/91/59/60/353915960.db2.gz MTCGYWQQGPMEME-LLVKDONJSA-N 1 0 313.379 1.357 20 5 DDBDRO O=C(Cc1ccccc1[N+](=O)[O-])N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000142296230 354144273 /nfs/dbraw/zinc/14/42/73/354144273.db2.gz VLAJBSFQLIVREI-CQSZACIVSA-N 1 0 303.362 1.834 20 5 DDBDRO Nc1ccc(C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000142257006 354144296 /nfs/dbraw/zinc/14/42/96/354144296.db2.gz KYJHIUBYIVXTPU-LBPRGKRZSA-N 1 0 304.350 1.487 20 5 DDBDRO CCCN(C(=O)CCn1cc([N+](=O)[O-])cn1)C1CC[NH2+]CC1 ZINC000236788257 202010409 /nfs/dbraw/zinc/01/04/09/202010409.db2.gz QPWFKXBVBCKUNF-UHFFFAOYSA-N 1 0 309.370 1.172 20 5 DDBDRO NC(=O)c1ccc(C[N@@H+]2CCC[C@@H](CCO)C2)c([N+](=O)[O-])c1 ZINC000314064299 354483062 /nfs/dbraw/zinc/48/30/62/354483062.db2.gz RQMLMKIHLJVJPA-NSHDSACASA-N 1 0 307.350 1.288 20 5 DDBDRO O=c1[nH]cnc2cc(N[C@@H]3CC[N@@H+](C4CC4)C3)c([N+](=O)[O-])cc21 ZINC000320983898 354530407 /nfs/dbraw/zinc/53/04/07/354530407.db2.gz BNZSXYRURXVRHY-SECBINFHSA-N 1 0 315.333 1.892 20 5 DDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000317556685 354511510 /nfs/dbraw/zinc/51/15/10/354511510.db2.gz YZZXIKLLXASWHT-CYBMUJFWSA-N 1 0 303.362 1.928 20 5 DDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000588815728 354938529 /nfs/dbraw/zinc/93/85/29/354938529.db2.gz ZWDPNSIBTXZSIH-CHWSQXEVSA-N 1 0 323.397 1.155 20 5 DDBDRO Cc1c(C(=O)N2CC[C@H]([N@@H+]3CC[C@@H](O)C3)C2)cccc1[N+](=O)[O-] ZINC000588860603 354943279 /nfs/dbraw/zinc/94/32/79/354943279.db2.gz JYQOATUSLJYVOG-QWHCGFSZSA-N 1 0 319.361 1.184 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000590011324 355040386 /nfs/dbraw/zinc/04/03/86/355040386.db2.gz HYVXHWXAYNKYOL-SWLSCSKDSA-N 1 0 318.377 1.478 20 5 DDBDRO C[NH+]1CCC(CC(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000589836910 355024380 /nfs/dbraw/zinc/02/43/80/355024380.db2.gz GIEQJYMHCWJWDG-UHFFFAOYSA-N 1 0 321.377 1.822 20 5 DDBDRO C[NH+](C)C1CC(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000590356223 355076531 /nfs/dbraw/zinc/07/65/31/355076531.db2.gz SXYSBRBHTPFTCR-UHFFFAOYSA-N 1 0 321.333 1.188 20 5 DDBDRO CCOc1cc(C[NH2+][C@@](C)(CCO)COC)ccc1[N+](=O)[O-] ZINC000276976232 213215128 /nfs/dbraw/zinc/21/51/28/213215128.db2.gz XUZYFNISZTZGLD-HNNXBMFYSA-N 1 0 312.366 1.871 20 5 DDBDRO CC[N@H+](C)C[C@H]1CCN(c2nccc(C(=O)OC)c2[N+](=O)[O-])C1 ZINC000590578387 355119487 /nfs/dbraw/zinc/11/94/87/355119487.db2.gz QGXVUBXBHPFXAY-LLVKDONJSA-N 1 0 322.365 1.554 20 5 DDBDRO Cn1cnc(CC[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c1 ZINC000590970048 355226300 /nfs/dbraw/zinc/22/63/00/355226300.db2.gz JEPPLTFZLUIAFL-UHFFFAOYSA-N 1 0 318.333 1.432 20 5 DDBDRO Cc1ccc(NC(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000591270353 355274503 /nfs/dbraw/zinc/27/45/03/355274503.db2.gz YQTONNWPYROUPH-GXFFZTMASA-N 1 0 308.338 1.483 20 5 DDBDRO O=[N+]([O-])c1cnc(N2C[C@@H]3C[NH2+]C[C@H]3C2)c(C(F)(F)F)c1 ZINC000591139942 355253962 /nfs/dbraw/zinc/25/39/62/355253962.db2.gz PHVOTFQWZWDAEF-YUMQZZPRSA-N 1 0 302.256 1.664 20 5 DDBDRO Cc1c(CNC(=O)N2CCC(C)([NH3+])CC2)cccc1[N+](=O)[O-] ZINC000591357081 355299109 /nfs/dbraw/zinc/29/91/09/355299109.db2.gz YYMOMQFAAHOARH-UHFFFAOYSA-N 1 0 306.366 1.926 20 5 DDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000591444763 355312693 /nfs/dbraw/zinc/31/26/93/355312693.db2.gz QXHPDLGJTYIEHJ-QWHCGFSZSA-N 1 0 307.398 1.946 20 5 DDBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1C[C@H](F)CN1 ZINC000591579972 355330726 /nfs/dbraw/zinc/33/07/26/355330726.db2.gz CANMMXMXMLDAPC-MDZLAQPJSA-N 1 0 324.356 1.602 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000591288797 355280039 /nfs/dbraw/zinc/28/00/39/355280039.db2.gz PBGDYSAVWUEUEM-DGCLKSJQSA-N 1 0 322.365 1.792 20 5 DDBDRO Cc1c(CC(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)cccc1[N+](=O)[O-] ZINC000592308982 355556166 /nfs/dbraw/zinc/55/61/66/355556166.db2.gz PMJGWBRAORJMAS-SMDDNHRTSA-N 1 0 307.350 1.020 20 5 DDBDRO CC(C)c1ccc(C(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000592310845 355557154 /nfs/dbraw/zinc/55/71/54/355557154.db2.gz YXSVXVKEHAHVNX-IAQYHMDHSA-N 1 0 321.377 1.906 20 5 DDBDRO O=C1CC[C@@H]2C[N@H+](CCCOc3ccc([N+](=O)[O-])cc3)CCN12 ZINC000346477471 283110112 /nfs/dbraw/zinc/11/01/12/283110112.db2.gz GBLSVDRQZHQUCT-CQSZACIVSA-N 1 0 319.361 1.670 20 5 DDBDRO COc1ccc(C[NH2+]CCCc2ncn(C)n2)cc1[N+](=O)[O-] ZINC000592373585 355569268 /nfs/dbraw/zinc/56/92/68/355569268.db2.gz YHVNSSHQIJZRDC-UHFFFAOYSA-N 1 0 305.338 1.454 20 5 DDBDRO CC(C)[C@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000592379760 355571061 /nfs/dbraw/zinc/57/10/61/355571061.db2.gz NYDVSXCCPMGVTN-CYBMUJFWSA-N 1 0 313.379 1.213 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000592398176 355574857 /nfs/dbraw/zinc/57/48/57/355574857.db2.gz QSMYXMVEWILAFX-WDEREUQCSA-N 1 0 315.395 1.616 20 5 DDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000592538657 355620913 /nfs/dbraw/zinc/62/09/13/355620913.db2.gz ZSXQDSISWMISTB-WCQYABFASA-N 1 0 318.377 1.781 20 5 DDBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000592568767 355632527 /nfs/dbraw/zinc/63/25/27/355632527.db2.gz YUSOMNBLHBVKAN-GHMZBOCLSA-N 1 0 317.349 1.636 20 5 DDBDRO CCCN(C(=O)c1cccc([N+](=O)[O-])c1N)[C@H]1CC[N@H+](C)C1 ZINC000592828332 355704988 /nfs/dbraw/zinc/70/49/88/355704988.db2.gz GQWZRFJKNHFBHP-NSHDSACASA-N 1 0 306.366 1.733 20 5 DDBDRO CCCN(C(=O)c1cccc([N+](=O)[O-])c1N)[C@@H]1CC[N@H+](C)C1 ZINC000592828331 355705375 /nfs/dbraw/zinc/70/53/75/355705375.db2.gz GQWZRFJKNHFBHP-LLVKDONJSA-N 1 0 306.366 1.733 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@@H](CO)[C@@H]2C)c1 ZINC000593036803 355776314 /nfs/dbraw/zinc/77/63/14/355776314.db2.gz UMKDYIOVSVHPBY-AAEUAGOBSA-N 1 0 322.361 1.974 20 5 DDBDRO O=C(Cc1ccc(F)cc1[N+](=O)[O-])NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000593415036 355878244 /nfs/dbraw/zinc/87/82/44/355878244.db2.gz JZSPNLPBBMDRCD-NSHDSACASA-N 1 0 321.352 1.877 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(N2CCN(CC[NH+](C)C)C(=O)C2)c1 ZINC000593486210 355900544 /nfs/dbraw/zinc/90/05/44/355900544.db2.gz QANVZROIWXYLGH-UHFFFAOYSA-N 1 0 306.366 1.113 20 5 DDBDRO CC[N@@H+]1CCN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000593697768 355970956 /nfs/dbraw/zinc/97/09/56/355970956.db2.gz FBROVNKPKXYXAB-NSHDSACASA-N 1 0 309.341 1.829 20 5 DDBDRO Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)N[C@H](C)C[NH3+])c1 ZINC000593905158 356051735 /nfs/dbraw/zinc/05/17/35/356051735.db2.gz PMZNRZSKMSCDAN-SNVBAGLBSA-N 1 0 317.349 1.225 20 5 DDBDRO O=C([C@@H]1CCC[NH2+]CC1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000593906518 356052497 /nfs/dbraw/zinc/05/24/97/356052497.db2.gz INPZWMFFEPYJKG-LLVKDONJSA-N 1 0 304.350 1.264 20 5 DDBDRO C[C@@H]1CCCN(C(=O)CCn2cc([N+](=O)[O-])cn2)[C@@H]1CC[NH3+] ZINC000593917903 356059913 /nfs/dbraw/zinc/05/99/13/356059913.db2.gz ZSLPMYDDPMETIQ-DGCLKSJQSA-N 1 0 309.370 1.157 20 5 DDBDRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000593918478 356060315 /nfs/dbraw/zinc/06/03/15/356060315.db2.gz DWXWWRUMZQNCTR-WXHSDQCUSA-N 1 0 322.365 1.424 20 5 DDBDRO COc1cc(C[NH2+]C[C@](C)(CO)OC)c([N+](=O)[O-])cc1OC ZINC000594508933 356239575 /nfs/dbraw/zinc/23/95/75/356239575.db2.gz DWICXRKUDCKZOX-CQSZACIVSA-N 1 0 314.338 1.099 20 5 DDBDRO C[C@@H](CCNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000594817398 356326310 /nfs/dbraw/zinc/32/63/10/356326310.db2.gz QQXWNZKBIYAGAU-NSHDSACASA-N 1 0 315.395 1.354 20 5 DDBDRO CC[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000594731033 356299998 /nfs/dbraw/zinc/29/99/98/356299998.db2.gz DLUUJTIZOUOAJE-LLVKDONJSA-N 1 0 305.338 1.166 20 5 DDBDRO Cc1ccc([C@H](C)NC(=O)[C@@H]([NH3+])COC(C)C)cc1[N+](=O)[O-] ZINC000595251486 356418426 /nfs/dbraw/zinc/41/84/26/356418426.db2.gz DXVALAVQBALESY-AAEUAGOBSA-N 1 0 309.366 1.833 20 5 DDBDRO CSc1ccc(C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000595260535 356423656 /nfs/dbraw/zinc/42/36/56/356423656.db2.gz BFKAJEKDOKPORJ-NXEZZACHSA-N 1 0 313.354 1.828 20 5 DDBDRO [NH3+]CC12CC(C1)CN2C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000595262048 356424553 /nfs/dbraw/zinc/42/45/53/356424553.db2.gz HLFZMKGWCOMTGJ-UHFFFAOYSA-N 1 0 304.350 1.270 20 5 DDBDRO COC(=O)c1cc(NC(=O)C2CC[NH+](C)CC2)cc([N+](=O)[O-])c1 ZINC000081418764 192261258 /nfs/dbraw/zinc/26/12/58/192261258.db2.gz UHULXUFQRUDNDL-UHFFFAOYSA-N 1 0 321.333 1.662 20 5 DDBDRO CN(CCC[NH+]1CCN(C)CC1)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595400512 356479089 /nfs/dbraw/zinc/47/90/89/356479089.db2.gz HLSVHPLKRXJAKA-UHFFFAOYSA-N 1 0 324.400 1.803 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@@H](CO)C2CCC2)c1 ZINC000595616318 356578992 /nfs/dbraw/zinc/57/89/92/356578992.db2.gz MKCOTCIGDOCUDP-ZFWWWQNUSA-N 1 0 310.350 1.085 20 5 DDBDRO CC[NH2+]CCNC(=O)c1cc(OC)c(OCC)cc1[N+](=O)[O-] ZINC000236968951 202098559 /nfs/dbraw/zinc/09/85/59/202098559.db2.gz BXJDWEOTAGQJQR-UHFFFAOYSA-N 1 0 311.338 1.341 20 5 DDBDRO C[C@@H](O)[C@H]1CCC[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000595769523 356644986 /nfs/dbraw/zinc/64/49/86/356644986.db2.gz JJRAVAQVHYVWTM-QMTHXVAHSA-N 1 0 308.334 1.807 20 5 DDBDRO COc1ccc(OCC[N@@H+]2CC[C@H]3COC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000595826500 356665970 /nfs/dbraw/zinc/66/59/70/356665970.db2.gz ABFDGELDKBEDBR-QWHCGFSZSA-N 1 0 322.361 1.951 20 5 DDBDRO C[NH2+]CCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000237093423 202152096 /nfs/dbraw/zinc/15/20/96/202152096.db2.gz VHTHRSKWBQMXRG-UHFFFAOYSA-N 1 0 306.366 1.534 20 5 DDBDRO COc1ccc(NC(=O)[C@@H](C)N(C)CC(C)(C)[NH3+])c([N+](=O)[O-])c1 ZINC000595901702 356698250 /nfs/dbraw/zinc/69/82/50/356698250.db2.gz ISWTVCDSKXPDQF-SNVBAGLBSA-N 1 0 324.381 1.600 20 5 DDBDRO C[NH2+]C[C@H](C)NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000595981242 356734579 /nfs/dbraw/zinc/73/45/79/356734579.db2.gz BYKUMELABZMDML-JTQLQIEISA-N 1 0 303.322 1.118 20 5 DDBDRO C[NH2+]C[C@@H](C)NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000595981187 356734880 /nfs/dbraw/zinc/73/48/80/356734880.db2.gz AHOVQRKFZPKVNJ-SNVBAGLBSA-N 1 0 317.349 1.333 20 5 DDBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[NH2+]C2)c(F)c1N1CCOCC1 ZINC000596016345 356747271 /nfs/dbraw/zinc/74/72/71/356747271.db2.gz QNXRKZIVYSVXFS-SNVBAGLBSA-N 1 0 310.329 1.344 20 5 DDBDRO CO[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000276918300 213175070 /nfs/dbraw/zinc/17/50/70/213175070.db2.gz GUAZGTIKSYVVMT-KCQAQPDRSA-N 1 0 324.377 1.882 20 5 DDBDRO CC(C)C[NH2+]C1(CO)CCN(c2ccncc2[N+](=O)[O-])CC1 ZINC000596255481 356834411 /nfs/dbraw/zinc/83/44/11/356834411.db2.gz YKEDPAPBGCVGEN-UHFFFAOYSA-N 1 0 308.382 1.567 20 5 DDBDRO O=c1[nH]ccc(N2CC[NH+](CC3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000596130851 356784729 /nfs/dbraw/zinc/78/47/29/356784729.db2.gz ZMVTXYPODHYNRS-UHFFFAOYSA-N 1 0 322.365 1.244 20 5 DDBDRO C[N@@H+]1CCC[C@H](CCNc2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596272241 356840369 /nfs/dbraw/zinc/84/03/69/356840369.db2.gz VHSIFWUFXKRTRJ-LLVKDONJSA-N 1 0 306.366 1.838 20 5 DDBDRO C[C@H](C[NH+]1CCC(C)CC1)Nc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000596488502 356895055 /nfs/dbraw/zinc/89/50/55/356895055.db2.gz QLMDYJQVRONRIF-LLVKDONJSA-N 1 0 321.381 1.621 20 5 DDBDRO COc1ccc(CC(=O)N[C@@H]2CCC[C@H]2[NH+](C)C)cc1[N+](=O)[O-] ZINC000597531317 357211447 /nfs/dbraw/zinc/21/14/47/357211447.db2.gz CPIHETKHOXXPMJ-CHWSQXEVSA-N 1 0 321.377 1.745 20 5 DDBDRO C[C@H]1COCC[N@@H+]1C1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000597677979 357281621 /nfs/dbraw/zinc/28/16/21/357281621.db2.gz KIARSQNZOHAKBK-NSHDSACASA-N 1 0 322.365 1.248 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)c1 ZINC000597623879 357260210 /nfs/dbraw/zinc/26/02/10/357260210.db2.gz CXXGIUJKUFBBPN-ZDUSSCGKSA-N 1 0 318.377 1.023 20 5 DDBDRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000597924831 357384516 /nfs/dbraw/zinc/38/45/16/357384516.db2.gz LERFMYCKFFWOJZ-SNVBAGLBSA-N 1 0 324.356 1.919 20 5 DDBDRO CCN(C(=O)COc1ccc([N+](=O)[O-])c(C)c1)[C@@H]1CC[N@H+](C)C1 ZINC000597947398 357395387 /nfs/dbraw/zinc/39/53/87/357395387.db2.gz XQZPROCXQQEQKG-CYBMUJFWSA-N 1 0 321.377 1.835 20 5 DDBDRO CCC[N@@H+]1CC[C@H](NC(=O)c2cccc(OC)c2[N+](=O)[O-])C1 ZINC000598342280 357545516 /nfs/dbraw/zinc/54/55/16/357545516.db2.gz LMTQFWSEDHHXSP-NSHDSACASA-N 1 0 307.350 1.818 20 5 DDBDRO Cc1cc(C(=O)N2CCC([C@@H](C)[NH3+])CC2)c(N)c([N+](=O)[O-])c1 ZINC000178842787 198940314 /nfs/dbraw/zinc/94/03/14/198940314.db2.gz JTUANDRCRDAFMV-SNVBAGLBSA-N 1 0 306.366 1.685 20 5 DDBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C1 ZINC000598745584 357713451 /nfs/dbraw/zinc/71/34/51/357713451.db2.gz KQYVDRHULMIESV-JTQLQIEISA-N 1 0 322.365 1.546 20 5 DDBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000598680798 357685376 /nfs/dbraw/zinc/68/53/76/357685376.db2.gz DIVCZJXYQZUXHK-BFQNTYOBSA-N 1 0 318.377 1.735 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC1(C[NH3+])CCOCC1 ZINC000599586904 357983864 /nfs/dbraw/zinc/98/38/64/357983864.db2.gz KECIXQZBBKODLH-UHFFFAOYSA-N 1 0 308.338 1.533 20 5 DDBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)c1 ZINC000599631898 357999177 /nfs/dbraw/zinc/99/91/77/357999177.db2.gz DWLWQOPWDGJMHT-GTQRCTGISA-N 1 0 324.402 1.959 20 5 DDBDRO NC(=O)c1ccc(CN2CC[NH+](CCCF)CC2)c([N+](=O)[O-])c1 ZINC000599666844 358016069 /nfs/dbraw/zinc/01/60/69/358016069.db2.gz DIOOOEYRDRLGOE-UHFFFAOYSA-N 1 0 324.356 1.171 20 5 DDBDRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000599940674 358086208 /nfs/dbraw/zinc/08/62/08/358086208.db2.gz SQAIZTPTDBJPNI-IINYFYTJSA-N 1 0 320.349 1.118 20 5 DDBDRO C[NH2+]C[C@H]1CCCN(C(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000237293497 202220961 /nfs/dbraw/zinc/22/09/61/202220961.db2.gz IXIJICBVAJDWQD-GFCCVEGCSA-N 1 0 307.350 1.432 20 5 DDBDRO CCc1n[nH]c(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)c1[N+](=O)[O-] ZINC000600474540 358234509 /nfs/dbraw/zinc/23/45/09/358234509.db2.gz XZYSGZMTLAOBHS-NSHDSACASA-N 1 0 321.381 1.627 20 5 DDBDRO C[NH2+]CCN(C)C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000237341495 202237803 /nfs/dbraw/zinc/23/78/03/202237803.db2.gz LQONMCAIXAYCCL-UHFFFAOYSA-N 1 0 317.349 1.287 20 5 DDBDRO Cc1nn(CCC(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])c(C)c1[N+](=O)[O-] ZINC000237346639 202239733 /nfs/dbraw/zinc/23/97/33/202239733.db2.gz HCLGMHLLHXSNLB-MFKMUULPSA-N 1 0 323.397 1.527 20 5 DDBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000237357037 202242674 /nfs/dbraw/zinc/24/26/74/202242674.db2.gz SCLGTZMXRYBSAD-NOZJJQNGSA-N 1 0 309.391 1.929 20 5 DDBDRO CC(C)[C@@H]1C[NH2+]CCN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000600716117 358292593 /nfs/dbraw/zinc/29/25/93/358292593.db2.gz WMDOFOYTPCQFGJ-HNNXBMFYSA-N 1 0 320.393 1.487 20 5 DDBDRO Cc1cc(N[C@@H]2CC[NH2+][C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000600957054 358356268 /nfs/dbraw/zinc/35/62/68/358356268.db2.gz KSSTXFLJINZDQC-SMDDNHRTSA-N 1 0 313.361 1.944 20 5 DDBDRO O=[N+]([O-])c1cc(F)cnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC000601117943 358408898 /nfs/dbraw/zinc/40/88/98/358408898.db2.gz BEJNJDKJCPDLTC-UHFFFAOYSA-N 1 0 324.356 1.678 20 5 DDBDRO CC(C)[NH2+][C@H]1CCCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000618370866 363609547 /nfs/dbraw/zinc/60/95/47/363609547.db2.gz MASMIHZMCBCXOY-NSHDSACASA-N 1 0 308.338 1.298 20 5 DDBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@H]2COC[C@H]2O)o1 ZINC000601139408 358417686 /nfs/dbraw/zinc/41/76/86/358417686.db2.gz FODNIEZBHRZHSJ-GXTWGEPZSA-N 1 0 304.302 1.704 20 5 DDBDRO C[C@H]1CN(c2ncc(F)cc2[N+](=O)[O-])CC[N@@H+]1CC(C)(C)O ZINC000601151287 358423130 /nfs/dbraw/zinc/42/31/30/358423130.db2.gz VJMKLFZJPNBAKO-JTQLQIEISA-N 1 0 312.345 1.410 20 5 DDBDRO CN1CC[C@H]([NH+]2CCC(Nc3ccc([N+](=O)[O-])nc3)CC2)C1=O ZINC000601178001 358435204 /nfs/dbraw/zinc/43/52/04/358435204.db2.gz HPFFXWSWPOUYMV-ZDUSSCGKSA-N 1 0 319.365 1.097 20 5 DDBDRO O=C(COc1cccc([N+](=O)[O-])c1)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000601557971 358599847 /nfs/dbraw/zinc/59/98/47/358599847.db2.gz PTAHRZXKOIPYTM-WFASDCNBSA-N 1 0 319.361 1.574 20 5 DDBDRO C[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CCCOC1 ZINC000348146060 283389773 /nfs/dbraw/zinc/38/97/73/283389773.db2.gz MOKYICQIHYKUCF-KCQAQPDRSA-N 1 0 324.377 1.739 20 5 DDBDRO CN1CCC([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1 ZINC000602500739 359015126 /nfs/dbraw/zinc/01/51/26/359015126.db2.gz AFICKTCPQIJJJF-UHFFFAOYSA-N 1 0 319.409 1.642 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CCCCC[C@H]([NH3+])C2)c1 ZINC000602578626 359053621 /nfs/dbraw/zinc/05/36/21/359053621.db2.gz OSTWJPVPWCTTSU-NSHDSACASA-N 1 0 307.350 1.947 20 5 DDBDRO CN(C)C1(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1 ZINC000602695324 359130816 /nfs/dbraw/zinc/13/08/16/359130816.db2.gz MKCFUBZRMVGIPQ-UHFFFAOYSA-N 1 0 319.409 1.642 20 5 DDBDRO C[C@@H]1OCC[C@H]1C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000602792799 359195134 /nfs/dbraw/zinc/19/51/34/359195134.db2.gz COOYBKKAGPOJKV-AVGNSLFASA-N 1 0 306.366 1.901 20 5 DDBDRO CO[C@@H]1C[C@H]([N@H+](C)CCn2c(C)ncc2[N+](=O)[O-])C12CCC2 ZINC000602839811 359229280 /nfs/dbraw/zinc/22/92/80/359229280.db2.gz LWLCLUUFYHDRQI-QWHCGFSZSA-N 1 0 308.382 1.989 20 5 DDBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)Nc2c(C)cncc2[N+](=O)[O-])C[C@H]1C ZINC000602952567 359318700 /nfs/dbraw/zinc/31/87/00/359318700.db2.gz NPJYSFWTXFODPX-VXGBXAGGSA-N 1 0 321.381 1.667 20 5 DDBDRO C[NH+](C)C[C@]1(O)CCCN(Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000602893874 359276997 /nfs/dbraw/zinc/27/69/97/359276997.db2.gz WRZTZCWOLGHZHF-OAHLLOKOSA-N 1 0 311.357 1.622 20 5 DDBDRO Cc1ncc([C@H](C)[NH2+]CCn2cc([N+](=O)[O-])ccc2=O)s1 ZINC000602954459 359319710 /nfs/dbraw/zinc/31/97/10/359319710.db2.gz FQKVQOZVRZICEA-VIFPVBQESA-N 1 0 308.363 1.872 20 5 DDBDRO Cc1cncc([N+](=O)[O-])c1NC(=O)N1CC[NH+](C(C)C)CC1 ZINC000602958770 359322551 /nfs/dbraw/zinc/32/25/51/359322551.db2.gz PUMMRTZSPWHYAP-UHFFFAOYSA-N 1 0 307.354 1.278 20 5 DDBDRO COc1cc(C[N@H+]2C[C@@H](OC)C[C@@]2(C)CO)ccc1[N+](=O)[O-] ZINC000602964607 359327786 /nfs/dbraw/zinc/32/77/86/359327786.db2.gz RWDUEEYRCIIWSC-WFASDCNBSA-N 1 0 310.350 1.575 20 5 DDBDRO C[C@H](c1cccc([N+](=O)[O-])c1)n1cc(CSCC[NH3+])nn1 ZINC000603186481 359465604 /nfs/dbraw/zinc/46/56/04/359465604.db2.gz RMEOTUOSKAEDMI-SNVBAGLBSA-N 1 0 307.379 1.988 20 5 DDBDRO COCC[NH2+]CCc1cn([C@@H](C)c2cccc([N+](=O)[O-])c2)nn1 ZINC000603186792 359466849 /nfs/dbraw/zinc/46/68/49/359466849.db2.gz VKWYYLAKMZBMCY-LBPRGKRZSA-N 1 0 319.365 1.574 20 5 DDBDRO CCO[C@H]1C[C@]([NH3+])(C(=O)NCc2ccccc2[N+](=O)[O-])C1(C)C ZINC000186736527 200000434 /nfs/dbraw/zinc/00/04/34/200000434.db2.gz SBUYMKNSCYIPBS-BBRMVZONSA-N 1 0 321.377 1.744 20 5 DDBDRO C[C@@H]1CN(C(=O)CSc2ccc([N+](=O)[O-])cc2)[C@@H](C)C[NH2+]1 ZINC000237431787 202264141 /nfs/dbraw/zinc/26/41/41/202264141.db2.gz VQQRLVNQKJUBIY-MNOVXSKESA-N 1 0 309.391 1.896 20 5 DDBDRO C[C@@H](CNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC000186971449 200041390 /nfs/dbraw/zinc/04/13/90/200041390.db2.gz HNMCXPFPMCBPJP-JTQLQIEISA-N 1 0 308.338 1.157 20 5 DDBDRO Cc1ccc(NC(=O)NCC[N@@H+]2CCCOCC2)cc1[N+](=O)[O-] ZINC000187406433 200108126 /nfs/dbraw/zinc/10/81/26/200108126.db2.gz RQHUZNFNEWBTJL-UHFFFAOYSA-N 1 0 322.365 1.747 20 5 DDBDRO C[C@H]1[NH2+]CCC[C@H]1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000278214088 291193498 /nfs/dbraw/zinc/19/34/98/291193498.db2.gz IRNQQVCVKYGTSD-MWLCHTKSSA-N 1 0 321.333 1.236 20 5 DDBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000237541046 202275795 /nfs/dbraw/zinc/27/57/95/202275795.db2.gz SCLGTZMXRYBSAD-TVQRCGJNSA-N 1 0 309.391 1.929 20 5 DDBDRO Cc1nn(C)c(C(=O)NC2CC[NH+](CC3CC3)CC2)c1[N+](=O)[O-] ZINC000604383173 359743952 /nfs/dbraw/zinc/74/39/52/359743952.db2.gz NAYFJZIZZYRBOL-UHFFFAOYSA-N 1 0 321.381 1.241 20 5 DDBDRO CC[N@H+](C)C[C@H](O)CN1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000565782963 304092123 /nfs/dbraw/zinc/09/21/23/304092123.db2.gz JXBOLCRDAPMTQS-AWEZNQCLSA-N 1 0 309.366 1.102 20 5 DDBDRO C[C@H](O)C[NH+]1CCN(CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000189399042 200393814 /nfs/dbraw/zinc/39/38/14/200393814.db2.gz DFBDPMPUQBFWRZ-AWEZNQCLSA-N 1 0 323.393 1.362 20 5 DDBDRO COc1cc(C(=O)N[C@@H]2CCC[NH2+][C@H]2C)c([N+](=O)[O-])cc1OC ZINC000189312573 200380618 /nfs/dbraw/zinc/38/06/18/200380618.db2.gz ZEXVSURBIVQQFU-GXSJLCMTSA-N 1 0 323.349 1.482 20 5 DDBDRO C[NH+]1CCC(CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000608777943 360241032 /nfs/dbraw/zinc/24/10/32/360241032.db2.gz YKPICZCVQNLNRF-UHFFFAOYSA-N 1 0 321.333 1.395 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000609309494 360291719 /nfs/dbraw/zinc/29/17/19/360291719.db2.gz GUSFSWNVQSKPKP-NSHDSACASA-N 1 0 306.366 1.680 20 5 DDBDRO C[C@@H](NC(=O)CCn1cc([N+](=O)[O-])cn1)C1CC[NH+](C)CC1 ZINC000609583577 360328820 /nfs/dbraw/zinc/32/88/20/360328820.db2.gz QDHNFGYISKRSHG-LLVKDONJSA-N 1 0 309.370 1.028 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]CC(C)(C)N1CCOCC1 ZINC000610091913 360381022 /nfs/dbraw/zinc/38/10/22/360381022.db2.gz UUJLOHBFPGWASO-UHFFFAOYSA-N 1 0 323.393 1.804 20 5 DDBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000610712468 360512179 /nfs/dbraw/zinc/51/21/79/360512179.db2.gz BWNUIPZHLWDQTB-GWCFXTLKSA-N 1 0 321.381 1.125 20 5 DDBDRO CC[N@@H+]1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000611088487 360619465 /nfs/dbraw/zinc/61/94/65/360619465.db2.gz ZGASKBKNMKNKQJ-GFCCVEGCSA-N 1 0 307.350 1.526 20 5 DDBDRO CC[NH+]1CCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000611249456 360680048 /nfs/dbraw/zinc/68/00/48/360680048.db2.gz UDWSPXYAVPTVMR-UHFFFAOYSA-N 1 0 307.350 1.504 20 5 DDBDRO CC(C)(CO)[NH+]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000611272229 360685410 /nfs/dbraw/zinc/68/54/10/360685410.db2.gz MUBMYJARYBZJLP-ALCCZGGFSA-N 1 0 319.405 1.997 20 5 DDBDRO C[C@H](NC(=O)c1c(N)cccc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000611528303 360749312 /nfs/dbraw/zinc/74/93/12/360749312.db2.gz FGNZWARCSCERPP-JTQLQIEISA-N 1 0 306.366 1.637 20 5 DDBDRO C[C@@H](CNS(=O)(=O)c1ccccc1[N+](=O)[O-])C[NH+](C)C ZINC000292624416 223174984 /nfs/dbraw/zinc/17/49/84/223174984.db2.gz MENBDTVFNMVOQY-JTQLQIEISA-N 1 0 301.368 1.071 20 5 DDBDRO CCC[NH2+]CCNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000193343758 201034798 /nfs/dbraw/zinc/03/47/98/201034798.db2.gz SXXUWTYSELRMGF-UHFFFAOYSA-N 1 0 321.786 1.526 20 5 DDBDRO Cc1cc(S(=O)(=O)N[C@@H]2C[NH2+]CC[C@H]2C)ccc1[N+](=O)[O-] ZINC000193399610 201046686 /nfs/dbraw/zinc/04/66/86/201046686.db2.gz BRWZUZOFAIGWRS-BXKDBHETSA-N 1 0 313.379 1.180 20 5 DDBDRO COc1cccc(N2CC[NH+](C(C)(C)CO)CC2)c1[N+](=O)[O-] ZINC000613878906 361616758 /nfs/dbraw/zinc/61/67/58/361616758.db2.gz HMROOVUSJXHBTO-UHFFFAOYSA-N 1 0 309.366 1.496 20 5 DDBDRO C[NH+](C)C[C@]1(O)CCCN(C(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000618923668 363803340 /nfs/dbraw/zinc/80/33/40/363803340.db2.gz KAHYGGIRGQZZON-OAHLLOKOSA-N 1 0 307.350 1.124 20 5 DDBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@@H](C[NH+](C)C)C1 ZINC000246470451 202593519 /nfs/dbraw/zinc/59/35/19/202593519.db2.gz ZQIUXTDLWMOCQC-STQMWFEESA-N 1 0 320.393 1.805 20 5 DDBDRO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000619871606 364168980 /nfs/dbraw/zinc/16/89/80/364168980.db2.gz PIQLMAGXNVECCR-GFCCVEGCSA-N 1 0 322.365 1.250 20 5 DDBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCC(=O)NC2)cc1[N+](=O)[O-] ZINC000349206370 283873947 /nfs/dbraw/zinc/87/39/47/283873947.db2.gz ACIQIVNYTDENKS-ZYHUDNBSSA-N 1 0 307.350 1.923 20 5 DDBDRO CCOc1cc(C(=O)N[C@H](C)CC[NH3+])c([N+](=O)[O-])cc1OC ZINC000349933943 284109922 /nfs/dbraw/zinc/10/99/22/284109922.db2.gz GHVFWYIFWXEOTQ-SECBINFHSA-N 1 0 311.338 1.469 20 5 DDBDRO Nc1ccc(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1[N+](=O)[O-] ZINC000261657110 203088362 /nfs/dbraw/zinc/08/83/62/203088362.db2.gz BTWFYGUEQKYFEV-TXEJJXNPSA-N 1 0 304.350 1.249 20 5 DDBDRO Cc1[nH]nc(C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)c1[N+](=O)[O-] ZINC000261767613 203112254 /nfs/dbraw/zinc/11/22/54/203112254.db2.gz QXVXYDLGEJSYKF-UHFFFAOYSA-N 1 0 319.296 1.663 20 5 DDBDRO COc1cc(CCNC(=O)C(C)(C)[NH3+])c([N+](=O)[O-])cc1OC ZINC000262170271 203218368 /nfs/dbraw/zinc/21/83/68/203218368.db2.gz DZBGFIMTFBRYOA-UHFFFAOYSA-N 1 0 311.338 1.008 20 5 DDBDRO CN(CC(C)(C)C[NH3+])S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000093873812 193322584 /nfs/dbraw/zinc/32/25/84/193322584.db2.gz GICAFRLKEKYJMV-UHFFFAOYSA-N 1 0 301.368 1.200 20 5 DDBDRO COC[C@@](C)(CC(=O)OC)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000350317703 284182100 /nfs/dbraw/zinc/18/21/00/284182100.db2.gz MWAGAJWQXPUVOF-OAHLLOKOSA-N 1 0 310.350 1.961 20 5 DDBDRO CCOC(=O)[C@H](C)[C@H](C)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000274889854 212011752 /nfs/dbraw/zinc/01/17/52/212011752.db2.gz JEEWLVYOPVNILK-UHIISALHSA-N 1 0 310.350 1.806 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000351476171 284330324 /nfs/dbraw/zinc/33/03/24/284330324.db2.gz JTAHKEJNDTYVTP-UBHSHLNASA-N 1 0 318.377 1.511 20 5 DDBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000351501960 284349137 /nfs/dbraw/zinc/34/91/37/284349137.db2.gz YLRDAZUDASIJTO-YVECIDJPSA-N 1 0 318.377 1.591 20 5 DDBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000266204803 205180601 /nfs/dbraw/zinc/18/06/01/205180601.db2.gz WTDJVJQJKRHEOX-LBPRGKRZSA-N 1 0 309.370 1.124 20 5 DDBDRO CC[N@@H+]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC000288380850 220120600 /nfs/dbraw/zinc/12/06/00/220120600.db2.gz KGSLTQCMLSUTCD-LBPRGKRZSA-N 1 0 305.378 1.998 20 5 DDBDRO CC(C)([NH3+])CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000160045228 197382237 /nfs/dbraw/zinc/38/22/37/197382237.db2.gz ICSCXEJBPSQEPB-UHFFFAOYSA-N 1 0 303.322 1.248 20 5 DDBDRO O=C([C@H]1CC12CC[NH2+]CC2)N1CCc2c1cccc2[N+](=O)[O-] ZINC000261976287 284544332 /nfs/dbraw/zinc/54/43/32/284544332.db2.gz VJJCCPWZOBYZJK-GFCCVEGCSA-N 1 0 301.346 1.874 20 5 DDBDRO C[C@H]1CCC[C@@](CNC(=O)c2nn(C)cc2[N+](=O)[O-])([NH+](C)C)C1 ZINC000270740478 248669312 /nfs/dbraw/zinc/66/93/12/248669312.db2.gz GADWZSZLFYXBCN-XHDPSFHLSA-N 1 0 323.397 1.569 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000307801011 248836069 /nfs/dbraw/zinc/83/60/69/248836069.db2.gz AXVWEHJRPXGBKS-SNVBAGLBSA-N 1 0 305.256 1.913 20 5 DDBDRO CC(C)[C@@H](CCO)[NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000273937991 211191801 /nfs/dbraw/zinc/19/18/01/211191801.db2.gz CYXPUKZINAWZAG-SMDDNHRTSA-N 1 0 309.366 1.918 20 5 DDBDRO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CCn1ccc([N+](=O)[O-])n1 ZINC000285265540 218358983 /nfs/dbraw/zinc/35/89/83/218358983.db2.gz IFRQWORKZBXTSG-UHFFFAOYSA-N 1 0 319.321 1.874 20 5 DDBDRO C[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CCC[NH2+]C1 ZINC000050163259 183775887 /nfs/dbraw/zinc/77/58/87/183775887.db2.gz ULNYXLXHDOEMLE-QWRGUYRKSA-N 1 0 313.379 1.261 20 5 DDBDRO Cc1c([C@@H](C)[NH2+]CCCS(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000268957225 207120934 /nfs/dbraw/zinc/12/09/34/207120934.db2.gz YZZBCQDJQIXOHD-LLVKDONJSA-N 1 0 300.380 1.989 20 5 DDBDRO Cc1nn(CCC(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)c(C)c1[N+](=O)[O-] ZINC000269175564 207296755 /nfs/dbraw/zinc/29/67/55/207296755.db2.gz GYVYKTIVLHFWSH-ZWNOBZJWSA-N 1 0 323.397 1.303 20 5 DDBDRO COc1cc(C(=O)NC[C@@H]([NH3+])C(C)C)c([N+](=O)[O-])cc1OC ZINC000269296376 207439012 /nfs/dbraw/zinc/43/90/12/207439012.db2.gz VZZJHSYWIIOCSN-SNVBAGLBSA-N 1 0 311.338 1.325 20 5 DDBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC([NH+](C)C)C1 ZINC000158483380 197276825 /nfs/dbraw/zinc/27/68/25/197276825.db2.gz QYFKDPSNUKXXFA-SNVBAGLBSA-N 1 0 309.391 1.848 20 5 DDBDRO C[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@@H]1CCC[C@@H]1O ZINC000352660154 285204940 /nfs/dbraw/zinc/20/49/40/285204940.db2.gz MUFZGFYNYZMIQM-CABCVRRESA-N 1 0 319.361 1.329 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C2CC(F)(F)C2)c1 ZINC000568078294 304267041 /nfs/dbraw/zinc/26/70/41/304267041.db2.gz MLJSIOZEJRAUGV-LLVKDONJSA-N 1 0 302.277 1.722 20 5 DDBDRO C[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000155086090 197020407 /nfs/dbraw/zinc/02/04/07/197020407.db2.gz RENGXNFUOGPKPP-UONOGXRCSA-N 1 0 306.410 1.881 20 5 DDBDRO C[NH+](C)CC(C)(C)Nc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000413354719 224182754 /nfs/dbraw/zinc/18/27/54/224182754.db2.gz GVIWGCJRDJHPGQ-UHFFFAOYSA-N 1 0 315.395 1.750 20 5 DDBDRO Cn1cc(C[NH2+][C@H]2C[C@@H](O)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000294845254 224260140 /nfs/dbraw/zinc/26/01/40/224260140.db2.gz MZDCIUXKMLBWSA-XBXGTLAGSA-N 1 0 302.334 1.608 20 5 DDBDRO Cc1ccc(CN2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000120601275 195200039 /nfs/dbraw/zinc/20/00/39/195200039.db2.gz HGWBWQIDUHATOL-ZIAGYGMSSA-N 1 0 307.394 1.790 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000414655715 533225325 /nfs/dbraw/zinc/22/53/25/533225325.db2.gz LPIVDMMYQUJOQD-WDEREUQCSA-N 1 0 320.349 1.677 20 5 DDBDRO CCc1ccc(C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000290019719 221383338 /nfs/dbraw/zinc/38/33/38/221383338.db2.gz ZZUHBEUBFHZCLQ-UONOGXRCSA-N 1 0 303.362 1.839 20 5 DDBDRO CC[NH+](CC)[C@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)CC(C)C ZINC000352843023 285331483 /nfs/dbraw/zinc/33/14/83/285331483.db2.gz ODVWHOLEBXWUOJ-NSHDSACASA-N 1 0 311.386 1.804 20 5 DDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)N[C@H]1C[NH2+]CCC1(F)F ZINC000414662782 224369183 /nfs/dbraw/zinc/36/91/83/224369183.db2.gz RIBHJGYGSYQROT-JTQLQIEISA-N 1 0 300.265 1.714 20 5 DDBDRO COc1ccc(OCC[NH2+][C@](C)(CO)C(C)C)c([N+](=O)[O-])c1 ZINC000352883042 285358286 /nfs/dbraw/zinc/35/82/86/285358286.db2.gz NHCBRJFYNYGYCS-OAHLLOKOSA-N 1 0 312.366 1.979 20 5 DDBDRO CN(C(=O)Cc1ccc([N+](=O)[O-])cc1F)C1CC[NH+](C)CC1 ZINC000121693444 195330315 /nfs/dbraw/zinc/33/03/15/195330315.db2.gz LYRHWCAOKYYUKJ-UHFFFAOYSA-N 1 0 309.341 1.829 20 5 DDBDRO C[C@@H]([NH2+]CCN1C(=O)N[C@@H](C)C1=O)c1ccccc1[N+](=O)[O-] ZINC000459388967 533393855 /nfs/dbraw/zinc/39/38/55/533393855.db2.gz PSVNFUORNZGMML-ZJUUUORDSA-N 1 0 306.322 1.186 20 5 DDBDRO COc1cccc(C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1[N+](=O)[O-] ZINC000423530158 533403736 /nfs/dbraw/zinc/40/37/36/533403736.db2.gz WNOLXHFYULTVGA-CYZMBNFOSA-N 1 0 319.361 1.803 20 5 DDBDRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000417233831 533667869 /nfs/dbraw/zinc/66/78/69/533667869.db2.gz OPMUQGYAQKRUOZ-FZMZJTMJSA-N 1 0 306.366 1.435 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC[C@H](C)[NH+](C)C ZINC000451932505 291993712 /nfs/dbraw/zinc/99/37/12/291993712.db2.gz PNYLKBMXLDJECD-NSHDSACASA-N 1 0 315.395 1.440 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)C1(S(C)(=O)=O)CC1 ZINC000353045113 285479020 /nfs/dbraw/zinc/47/90/20/285479020.db2.gz HFXZEKDWGTUKDC-LLVKDONJSA-N 1 0 312.391 1.959 20 5 DDBDRO COc1ccc(C[NH2+]C[C@H]2CCN(C)C(=O)C2)cc1[N+](=O)[O-] ZINC000424189197 533673141 /nfs/dbraw/zinc/67/31/41/533673141.db2.gz LVGVOKYYJZJYSR-LBPRGKRZSA-N 1 0 307.350 1.561 20 5 DDBDRO Cc1cc(S(=O)(=O)N[C@H](C)[C@@H](C)[NH3+])c(C)cc1[N+](=O)[O-] ZINC000568653799 304305276 /nfs/dbraw/zinc/30/52/76/304305276.db2.gz HVMVPKGCKBTAOF-NXEZZACHSA-N 1 0 301.368 1.226 20 5 DDBDRO Cc1ccccc1C[C@@H](C)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000568714516 304307191 /nfs/dbraw/zinc/30/71/91/304307191.db2.gz WUWYFSSBVLGJQF-CJNGLKHVSA-N 1 0 318.377 1.681 20 5 DDBDRO O=[N+]([O-])c1cc2c(nc1N1CCC([NH2+]CCO)CC1)CCCC2 ZINC000568756606 304310913 /nfs/dbraw/zinc/31/09/13/304310913.db2.gz USUZSUYTFVNZMJ-UHFFFAOYSA-N 1 0 320.393 1.419 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000579702783 422816396 /nfs/dbraw/zinc/81/63/96/422816396.db2.gz GBXMVVHVWMRIEA-GWCFXTLKSA-N 1 0 307.350 1.945 20 5 DDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N[C@H]1C[C@@H]1C1CC[NH2+]CC1 ZINC000361083375 306991619 /nfs/dbraw/zinc/99/16/19/306991619.db2.gz XXNLZYURXWSJLE-CABCVRRESA-N 1 0 303.362 1.642 20 5 DDBDRO CN1C(=O)NC2(CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)C1=O ZINC000090005304 407163574 /nfs/dbraw/zinc/16/35/74/407163574.db2.gz HFULLDRXMYYUEH-UHFFFAOYSA-N 1 0 318.333 1.111 20 5 DDBDRO Cc1cc(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)c(N)c([N+](=O)[O-])c1 ZINC000066620645 407255353 /nfs/dbraw/zinc/25/53/53/407255353.db2.gz YKNINSQZFUPKNX-NSHDSACASA-N 1 0 318.377 1.700 20 5 DDBDRO COCCCNC(=O)[C@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000056196110 407208594 /nfs/dbraw/zinc/20/85/94/407208594.db2.gz UMJLKKMALZORAZ-NEPJUHHUSA-N 1 0 309.366 1.787 20 5 DDBDRO CN(CC[NH+]1CCCC1)C(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000103117065 407331321 /nfs/dbraw/zinc/33/13/21/407331321.db2.gz FROQSAQBFQKQOO-UHFFFAOYSA-N 1 0 310.329 1.484 20 5 DDBDRO Cc1nn(C)c(C(=O)N[C@H](C)C[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000125958267 407401897 /nfs/dbraw/zinc/40/18/97/407401897.db2.gz FLGOHYZDCUECCY-SNVBAGLBSA-N 1 0 309.370 1.241 20 5 DDBDRO CC1CC[NH+](CCCNC(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC000271120821 407526833 /nfs/dbraw/zinc/52/68/33/407526833.db2.gz NZWANPLSKMGDLP-UHFFFAOYSA-N 1 0 309.370 1.180 20 5 DDBDRO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C[C@H]1CCOC1 ZINC000178782009 407602584 /nfs/dbraw/zinc/60/25/84/407602584.db2.gz ZHZVPFKRNLABBK-GFCCVEGCSA-N 1 0 307.350 1.892 20 5 DDBDRO C[C@@H]([NH3+])C1CCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000178835568 407619992 /nfs/dbraw/zinc/61/99/92/407619992.db2.gz WVWMORTZMOABMG-GFCCVEGCSA-N 1 0 320.393 1.617 20 5 DDBDRO C[NH2+]C[C@@H]1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000178972903 407679980 /nfs/dbraw/zinc/67/99/80/407679980.db2.gz BFBPYIXQPYEIFK-LBPRGKRZSA-N 1 0 306.366 1.465 20 5 DDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000261967431 407696307 /nfs/dbraw/zinc/69/63/07/407696307.db2.gz YMPFYPFMMPIDDU-AWEZNQCLSA-N 1 0 319.365 1.106 20 5 DDBDRO C[C@@H](CNC(=O)NCc1ccccc1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000171609699 407720348 /nfs/dbraw/zinc/72/03/48/407720348.db2.gz SSYWRAXWKYAZGE-NSHDSACASA-N 1 0 306.366 1.877 20 5 DDBDRO C[NH2+]C1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000179134818 407731219 /nfs/dbraw/zinc/73/12/19/407731219.db2.gz XQWMATCPOIMTAT-UHFFFAOYSA-N 1 0 306.366 1.607 20 5 DDBDRO Cc1c(C(=O)N[C@H]2C[NH2+]CC[C@H]2C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000186835507 407783871 /nfs/dbraw/zinc/78/38/71/407783871.db2.gz KDGZSJCNVXEWGA-PELKAZGASA-N 1 0 322.321 1.539 20 5 DDBDRO Nc1c(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cccc1[N+](=O)[O-] ZINC000267248823 407806623 /nfs/dbraw/zinc/80/66/23/407806623.db2.gz GFBSVEKXBJOHPB-RYUDHWBXSA-N 1 0 304.350 1.534 20 5 DDBDRO C[C@@H]1CN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C[C@H](C)[NH2+]1 ZINC000153518154 407842175 /nfs/dbraw/zinc/84/21/75/407842175.db2.gz QDAWEWRRJCCABT-PHIMTYICSA-N 1 0 318.377 1.992 20 5 DDBDRO COC[C@]1(CNC(=O)Cc2cccc([N+](=O)[O-])c2)CCC[NH2+]1 ZINC000262440198 407836332 /nfs/dbraw/zinc/83/63/32/407836332.db2.gz GRDFVYYCJYKYPK-OAHLLOKOSA-N 1 0 307.350 1.022 20 5 DDBDRO C[C@@H]1CCN(CCOc2cccc([N+](=O)[O-])c2)[C@H](C(N)=O)C1 ZINC000187420955 407855624 /nfs/dbraw/zinc/85/56/24/407855624.db2.gz SSHADDZWKUMIAL-RISCZKNCSA-N 1 0 307.350 1.559 20 5 DDBDRO C[C@@H]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000262554804 407865621 /nfs/dbraw/zinc/86/56/21/407865621.db2.gz TWNBTKQQZQVJQZ-ZWNOBZJWSA-N 1 0 306.366 1.110 20 5 DDBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC(C)(C)C[NH3+] ZINC000262556438 407866799 /nfs/dbraw/zinc/86/67/99/407866799.db2.gz YYLFBMYDNBBLAS-QMMMGPOBSA-N 1 0 315.757 1.869 20 5 DDBDRO CCCN(CC(=O)N(C)C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000153758523 407895365 /nfs/dbraw/zinc/89/53/65/407895365.db2.gz KHCKSYMLTNYFKM-CQSZACIVSA-N 1 0 309.366 1.428 20 5 DDBDRO O=C([C@@H]1CCCC[NH2+]1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000237937110 407850393 /nfs/dbraw/zinc/85/03/93/407850393.db2.gz MLFSLINQLWIZFR-ZDUSSCGKSA-N 1 0 318.377 1.386 20 5 DDBDRO COc1ccc(C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000268242971 407963904 /nfs/dbraw/zinc/96/39/04/407963904.db2.gz VGABIQLVQBMZAW-ZWNOBZJWSA-N 1 0 319.361 1.816 20 5 DDBDRO COc1cc(C(=O)N2C[C@H](C)[NH2+]C[C@H]2C)cc([N+](=O)[O-])c1OC ZINC000272589901 407999228 /nfs/dbraw/zinc/99/92/28/407999228.db2.gz PJBRRXIBHNBZRP-VHSXEESVSA-N 1 0 323.349 1.434 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCC1(C)CC[NH+](C)CC1 ZINC000272601089 408001631 /nfs/dbraw/zinc/00/16/31/408001631.db2.gz UHXUGRIJHXWMJN-UHFFFAOYSA-N 1 0 323.397 1.338 20 5 DDBDRO CC[C@@]1(CO)CCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000189660502 408073763 /nfs/dbraw/zinc/07/37/63/408073763.db2.gz BLJGYCRDLPDMAZ-BBRMVZONSA-N 1 0 324.377 1.571 20 5 DDBDRO Cc1nn(C)c(C(=O)NCC[C@H](C)[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000182253965 408106316 /nfs/dbraw/zinc/10/63/16/408106316.db2.gz HHGXNGSLDXRDFX-NSHDSACASA-N 1 0 323.397 1.631 20 5 DDBDRO COCCOCC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000175683196 408184493 /nfs/dbraw/zinc/18/44/93/408184493.db2.gz NKZZTASGMZORGP-GFCCVEGCSA-N 1 0 310.354 1.139 20 5 DDBDRO COc1ccc(CNC(=O)[C@H]2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000269268945 408243471 /nfs/dbraw/zinc/24/34/71/408243471.db2.gz WFAVQZDJYKUVPD-NWDGAFQWSA-N 1 0 307.350 1.737 20 5 DDBDRO Cc1c(C(=O)NC[C@@H]([NH3+])C(C)C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000269274713 408247491 /nfs/dbraw/zinc/24/74/91/408247491.db2.gz OAIMOLQFMGWJJE-LLVKDONJSA-N 1 0 324.337 1.833 20 5 DDBDRO C[C@H]([NH3+])[C@H](C)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000182846011 408262503 /nfs/dbraw/zinc/26/25/03/408262503.db2.gz UHHPXQJAPOWVOA-RYUDHWBXSA-N 1 0 306.366 1.227 20 5 DDBDRO C[C@@H](Cn1cccn1)[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000263709821 408217204 /nfs/dbraw/zinc/21/72/04/408217204.db2.gz TVWUMNMDNVKRJG-NSHDSACASA-N 1 0 318.333 1.836 20 5 DDBDRO Cc1c(C(=O)N(C)CC(C)(C)C[NH3+])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000269193865 408230742 /nfs/dbraw/zinc/23/07/42/408230742.db2.gz OTGMMTRMZRPCLH-UHFFFAOYSA-N 1 0 324.337 1.868 20 5 DDBDRO C[C@@H]1C[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@H]1CO ZINC000190897913 408338543 /nfs/dbraw/zinc/33/85/43/408338543.db2.gz RHVBBMQRZZTPEB-PWSUYJOCSA-N 1 0 318.333 1.705 20 5 DDBDRO C[C@@H](CO)[N@H+](C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000131949646 162026346 /nfs/dbraw/zinc/02/63/46/162026346.db2.gz CCLDMWGZBGACCH-JTQLQIEISA-N 1 0 309.322 1.205 20 5 DDBDRO C[N@@H+]1CC[C@@H](Cn2nnnc2Sc2ncccc2[N+](=O)[O-])C1 ZINC000131944389 162026972 /nfs/dbraw/zinc/02/69/72/162026972.db2.gz ICLRYJNBQHHAFA-SECBINFHSA-N 1 0 321.366 1.079 20 5 DDBDRO C[NH2+][C@@H]1CCN(C(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)C1 ZINC000160554891 408493741 /nfs/dbraw/zinc/49/37/41/408493741.db2.gz QOMPIPUBVWBILL-GHMZBOCLSA-N 1 0 309.391 1.896 20 5 DDBDRO COCC[N@@H+]1CC[C@@H](NC(=O)c2cc(OC)ccc2[N+](=O)[O-])C1 ZINC000264552249 408531233 /nfs/dbraw/zinc/53/12/33/408531233.db2.gz PHAZHAWEPKKZJF-LLVKDONJSA-N 1 0 323.349 1.054 20 5 DDBDRO C[C@H]1C[C@H](NC(=O)Cc2ccccc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000177128916 408529025 /nfs/dbraw/zinc/52/90/25/408529025.db2.gz KQFOATOKPVTRCR-AAEUAGOBSA-N 1 0 303.362 1.879 20 5 DDBDRO CC[N@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)CC(N)=O ZINC000191701314 408471710 /nfs/dbraw/zinc/47/17/10/408471710.db2.gz HVBYASNUZFEZNY-UHFFFAOYSA-N 1 0 308.338 1.039 20 5 DDBDRO CS[C@@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000270490040 408550422 /nfs/dbraw/zinc/55/04/22/408550422.db2.gz OGUYTCVSNYLOLZ-CHWSQXEVSA-N 1 0 309.391 1.712 20 5 DDBDRO C[NH+](C)[C@H]1CCN(c2c(Br)cncc2[N+](=O)[O-])C1 ZINC000161165161 408566717 /nfs/dbraw/zinc/56/67/17/408566717.db2.gz DQXZZMXSDCCIER-QMMMGPOBSA-N 1 0 315.171 1.893 20 5 DDBDRO C[C@H](O)C[C@@H]1CCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248456632 408572207 /nfs/dbraw/zinc/57/22/07/408572207.db2.gz LTJHUTQBLAQSHH-MELADBBJSA-N 1 0 324.377 1.570 20 5 DDBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)[C@H]1OC ZINC000274944703 408572470 /nfs/dbraw/zinc/57/24/70/408572470.db2.gz RCYSNJQMHZMXQC-KCPJHIHWSA-N 1 0 310.350 1.885 20 5 DDBDRO C[C@H]([NH3+])[C@H](C)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000192068431 408538640 /nfs/dbraw/zinc/53/86/40/408538640.db2.gz BHUQWGFFWLIKHJ-RYUDHWBXSA-N 1 0 321.377 1.948 20 5 DDBDRO CCCc1n[nH]c(C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1[N+](=O)[O-] ZINC000248636974 408606224 /nfs/dbraw/zinc/60/62/24/408606224.db2.gz QNRDFNIVVJHSNI-GUBZILKMSA-N 1 0 307.354 1.080 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@@H](C)[C@H]([NH+](C)C)C1 ZINC000270677224 408631398 /nfs/dbraw/zinc/63/13/98/408631398.db2.gz SXANYILMDZSADA-IUODEOHRSA-N 1 0 320.393 1.724 20 5 DDBDRO C[C@@H](CNc1ccc([N+](=O)[O-])c2nonc21)C[NH+]1CCOCC1 ZINC000265615804 408713265 /nfs/dbraw/zinc/71/32/65/408713265.db2.gz WLJOJERQJCLTBW-JTQLQIEISA-N 1 0 321.337 1.511 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H](CCO)c2ccco2)c1 ZINC000185124654 408765193 /nfs/dbraw/zinc/76/51/93/408765193.db2.gz MQQJJFKFCHTZCQ-UONOGXRCSA-N 1 0 306.318 1.935 20 5 DDBDRO C[NH+](C)[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000277263073 408908729 /nfs/dbraw/zinc/90/87/29/408908729.db2.gz XANKXEBASOAPQT-JTQLQIEISA-N 1 0 307.354 1.009 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000188082428 163039720 /nfs/dbraw/zinc/03/97/20/163039720.db2.gz AJGAEKZMAYIGAV-UHFFFAOYSA-N 1 0 306.366 1.855 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1CCC[C@H]1CCO ZINC000286172936 408935763 /nfs/dbraw/zinc/93/57/63/408935763.db2.gz OSUQJYPACXBHMV-SWLSCSKDSA-N 1 0 321.377 1.982 20 5 DDBDRO COCC[N@H+](C)CCCNc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000192810054 163238219 /nfs/dbraw/zinc/23/82/19/163238219.db2.gz CKGDZJKLTTZWRK-UHFFFAOYSA-N 1 0 310.354 1.074 20 5 DDBDRO COc1cc(C(=O)N2CC[NH2+][C@H](C)[C@@H]2C)cc([N+](=O)[O-])c1OC ZINC000277434370 408940820 /nfs/dbraw/zinc/94/08/20/408940820.db2.gz CULVNWUKXWCPQP-ZJUUUORDSA-N 1 0 323.349 1.434 20 5 DDBDRO COc1ccc(NC(=O)C[NH2+][C@H]2CCOC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000277498263 408952251 /nfs/dbraw/zinc/95/22/51/408952251.db2.gz PGVOFMDADFKFJZ-JQWIXIFHSA-N 1 0 323.349 1.557 20 5 DDBDRO O=C(CC[N@H+]1CCC[C@@H](O)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000293297324 409084789 /nfs/dbraw/zinc/08/47/89/409084789.db2.gz WICKTNGMKKNZPC-GFCCVEGCSA-N 1 0 307.350 1.770 20 5 DDBDRO CC[C@@H](NC(=O)[C@H]([NH3+])CCC(=O)OC)c1cccc([N+](=O)[O-])c1 ZINC000288830865 409185277 /nfs/dbraw/zinc/18/52/77/409185277.db2.gz UZVWDRFEWQFCIA-CHWSQXEVSA-N 1 0 323.349 1.443 20 5 DDBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000283428229 409154808 /nfs/dbraw/zinc/15/48/08/409154808.db2.gz IZXYEVKKLOPBLH-VIFPVBQESA-N 1 0 310.329 1.530 20 5 DDBDRO CCC[C@@]1(CO)CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000288808738 409181982 /nfs/dbraw/zinc/18/19/82/409181982.db2.gz MHWCNUUTXCJWNH-MRXNPFEDSA-N 1 0 321.377 1.678 20 5 DDBDRO COC(=O)c1cc(C)nc(N[C@H]2CC[N@@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000283732339 409205738 /nfs/dbraw/zinc/20/57/38/409205738.db2.gz IAMRPGFBICMZSX-NSHDSACASA-N 1 0 322.365 1.979 20 5 DDBDRO Cc1cc(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)c(N)c([N+](=O)[O-])c1 ZINC000290054755 409294315 /nfs/dbraw/zinc/29/43/15/409294315.db2.gz HIFORUNPKMLHSM-QWRGUYRKSA-N 1 0 304.350 1.167 20 5 DDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000290201275 409319497 /nfs/dbraw/zinc/31/94/97/409319497.db2.gz RKDFLVMKTGBUMS-NEPJUHHUSA-N 1 0 323.780 1.859 20 5 DDBDRO CCOc1cccc(N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)c1[N+](=O)[O-] ZINC000284995662 409391181 /nfs/dbraw/zinc/39/11/81/409391181.db2.gz LREHYTSGIHXJDQ-KGLIPLIRSA-N 1 0 321.377 1.903 20 5 DDBDRO CO[C@H]1C[C@@H](N(C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000285400709 409429405 /nfs/dbraw/zinc/42/94/05/409429405.db2.gz ORGBHTCMHRWAQX-BETUJISGSA-N 1 0 307.350 1.951 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N(C)C[C@@H]2CCC[N@@H+]2C)c1 ZINC000316971050 164025245 /nfs/dbraw/zinc/02/52/45/164025245.db2.gz ZUTZPVUIULXIKP-LBPRGKRZSA-N 1 0 307.350 1.912 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[N@@H+](CC(C)C)CC1 ZINC000363442177 164160275 /nfs/dbraw/zinc/16/02/75/164160275.db2.gz PYEUXRMXLHKIEZ-UHFFFAOYSA-N 1 0 323.397 1.290 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@@H]2C2CCCC2)c1 ZINC000304380555 409616880 /nfs/dbraw/zinc/61/68/80/409616880.db2.gz YGJBCMSHOCRDPS-HUUCEWRRSA-N 1 0 308.382 1.807 20 5 DDBDRO C[C@@H](CC[NH+](C)C)NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000353961043 409578619 /nfs/dbraw/zinc/57/86/19/409578619.db2.gz SCDNLITVKDXCHF-LBPRGKRZSA-N 1 0 308.382 1.853 20 5 DDBDRO C[C@H]([NH2+]CC(=O)N1C[C@@H](C)O[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000296536669 409605117 /nfs/dbraw/zinc/60/51/17/409605117.db2.gz DQKPUIVHKRCHSJ-UPJWGTAASA-N 1 0 321.377 1.881 20 5 DDBDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000356891006 409694494 /nfs/dbraw/zinc/69/44/94/409694494.db2.gz WCVYAGCNCZKOSW-CHWSQXEVSA-N 1 0 320.393 1.948 20 5 DDBDRO CC[N@@H+]1CCC[C@H](CNC(=O)CCn2cc([N+](=O)[O-])nc2C)C1 ZINC000338073915 409697846 /nfs/dbraw/zinc/69/78/46/409697846.db2.gz RELNXQSOCGSKHP-CYBMUJFWSA-N 1 0 323.397 1.338 20 5 DDBDRO CC(C)[NH+](CCN(C)C(=O)c1cc([N+](=O)[O-])c[nH]c1=O)C(C)C ZINC000357052928 409825276 /nfs/dbraw/zinc/82/52/76/409825276.db2.gz FXIIHQAVBSXDQV-UHFFFAOYSA-N 1 0 324.381 1.886 20 5 DDBDRO COc1ccc(C[NH2+][C@@H]2CCS(=O)(=O)[C@@H]2C)cc1[N+](=O)[O-] ZINC000315447437 409842198 /nfs/dbraw/zinc/84/21/98/409842198.db2.gz JZJHBTNYJFUQAA-MWLCHTKSSA-N 1 0 314.363 1.269 20 5 DDBDRO C[NH+](C)C[C@H]1CCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000357099117 409873333 /nfs/dbraw/zinc/87/33/33/409873333.db2.gz URPWJGDLHQTNJO-CYBMUJFWSA-N 1 0 309.341 1.829 20 5 DDBDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000318799315 409881358 /nfs/dbraw/zinc/88/13/58/409881358.db2.gz ATAHWFLTWDIJBO-JTQLQIEISA-N 1 0 307.354 1.032 20 5 DDBDRO COc1cc(Cc2noc([C@@H]3CC[N@H+](C)C3)n2)ccc1[N+](=O)[O-] ZINC000350154633 409926853 /nfs/dbraw/zinc/92/68/53/409926853.db2.gz DXFXTFSVPRWMJF-LLVKDONJSA-N 1 0 318.333 1.996 20 5 DDBDRO C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000332726615 410238458 /nfs/dbraw/zinc/23/84/58/410238458.db2.gz SNUXIAWBLAEOAH-MWLCHTKSSA-N 1 0 313.379 1.183 20 5 DDBDRO CC[C@H](C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1)[NH+](CC)CC ZINC000332732885 410240969 /nfs/dbraw/zinc/24/09/69/410240969.db2.gz SNLIELFHMVFUOE-OAHLLOKOSA-N 1 0 320.393 1.995 20 5 DDBDRO COc1ccc(NC(=O)CN2CC[C@H]([C@@H](C)[NH3+])C2)c([N+](=O)[O-])c1 ZINC000351857648 410293990 /nfs/dbraw/zinc/29/39/90/410293990.db2.gz YBZKNPDZOGMOPK-MNOVXSKESA-N 1 0 322.365 1.211 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1NCc1ccc(OCC[NH+](C)C)cc1 ZINC000298715829 410363526 /nfs/dbraw/zinc/36/35/26/410363526.db2.gz MPCLABRBJWTNOR-UHFFFAOYSA-N 1 0 319.365 1.881 20 5 DDBDRO O=[N+]([O-])c1cc(Cl)ccc1CN1[C@@H](CO)CC[C@@H]1CO ZINC000347329320 410473510 /nfs/dbraw/zinc/47/35/10/410473510.db2.gz IFNAJRGXBPLJCE-VXGBXAGGSA-N 1 0 300.742 1.566 20 5 DDBDRO CC[NH+]1CCC(Nc2ccc(C(=O)NC)cc2[N+](=O)[O-])CC1 ZINC000299042916 410496282 /nfs/dbraw/zinc/49/62/82/410496282.db2.gz DGZSYOUXJZEXKY-UHFFFAOYSA-N 1 0 306.366 1.851 20 5 DDBDRO C[C@@H]1C[C@H](C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CC[NH2+]1 ZINC000358697940 410525902 /nfs/dbraw/zinc/52/59/02/410525902.db2.gz UPEFTYQBTHBNBI-DGCLKSJQSA-N 1 0 303.362 1.868 20 5 DDBDRO COc1ccc(CNC(=O)NC[C@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000299251539 410582546 /nfs/dbraw/zinc/58/25/46/410582546.db2.gz PJETXVMGTSHDGU-GFCCVEGCSA-N 1 0 322.365 1.497 20 5 DDBDRO CC[N@@H+]1CCC[C@@H]1CNc1ccc(C(=O)NC)cc1[N+](=O)[O-] ZINC000301061841 410647038 /nfs/dbraw/zinc/64/70/38/410647038.db2.gz CIIUEEGVYWLMNF-GFCCVEGCSA-N 1 0 306.366 1.851 20 5 DDBDRO C[C@H](CC[NH+](C)C)Nc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000301087888 410653704 /nfs/dbraw/zinc/65/37/04/410653704.db2.gz KGDVEROBLQBDPW-SECBINFHSA-N 1 0 308.338 1.678 20 5 DDBDRO C[C@@H]1[C@@H](NC(=O)NCCc2ccc([N+](=O)[O-])cc2)CCC[N@@H+]1C ZINC000343802147 410712755 /nfs/dbraw/zinc/71/27/55/410712755.db2.gz SORXJRVKRHHPSW-DOMZBBRYSA-N 1 0 320.393 1.919 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)c1 ZINC000343829905 410731745 /nfs/dbraw/zinc/73/17/45/410731745.db2.gz NHUCSGXQWPTVRC-QMTHXVAHSA-N 1 0 319.361 1.816 20 5 DDBDRO CCOC(=O)c1cc(N2CCC[N@H+](C)CC2)ccc1[N+](=O)[O-] ZINC000301612163 410755611 /nfs/dbraw/zinc/75/56/11/410755611.db2.gz FPFBQTHWQXEXMJ-UHFFFAOYSA-N 1 0 307.350 1.913 20 5 DDBDRO CC(C)[N@H+](C)CC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000359623904 410778188 /nfs/dbraw/zinc/77/81/88/410778188.db2.gz LBQBWGVCYQGHAH-UHFFFAOYSA-N 1 0 307.350 1.656 20 5 DDBDRO COc1ccc(CC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000571499078 304465476 /nfs/dbraw/zinc/46/54/76/304465476.db2.gz YZKKNRBNVDSAFZ-CHWSQXEVSA-N 1 0 319.361 1.214 20 5 DDBDRO CC[C@@]1(O)CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000337437487 410783337 /nfs/dbraw/zinc/78/33/37/410783337.db2.gz XWHIESPGWUSQBO-OAHLLOKOSA-N 1 0 307.350 1.770 20 5 DDBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000330585670 410801244 /nfs/dbraw/zinc/80/12/44/410801244.db2.gz LMJAWGNPQMDSOE-NFAWXSAZSA-N 1 0 323.393 1.359 20 5 DDBDRO Cc1nn(C)c(C(=O)NCC[N@H+](C)C2CCCCC2)c1[N+](=O)[O-] ZINC000330524333 410749923 /nfs/dbraw/zinc/74/99/23/410749923.db2.gz NUCMTUCXYJTFDR-UHFFFAOYSA-N 1 0 323.397 1.631 20 5 DDBDRO CCC[N@H+](C)C[C@@H]1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)C1 ZINC000301896940 410823052 /nfs/dbraw/zinc/82/30/52/410823052.db2.gz ZVNBBMWHBMQBRE-LBPRGKRZSA-N 1 0 318.381 1.806 20 5 DDBDRO COc1cc(N[C@@H](C)[C@@H]2CN(C)CCO2)c(F)cc1[N+](=O)[O-] ZINC000301935490 410832798 /nfs/dbraw/zinc/83/27/98/410832798.db2.gz RLDRMVVBQWTPIS-XPTSAGLGSA-N 1 0 313.329 1.874 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000348356573 410931403 /nfs/dbraw/zinc/93/14/03/410931403.db2.gz ZJJLNWHLFLVPDD-UHFFFAOYSA-N 1 0 321.381 1.258 20 5 DDBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H](CO)C1CCOCC1 ZINC000359929881 410956436 /nfs/dbraw/zinc/95/64/36/410956436.db2.gz NLYBGNJWPPFKQN-UJAVWCLSSA-N 1 0 306.362 1.985 20 5 DDBDRO Cn1nc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000356473246 411047155 /nfs/dbraw/zinc/04/71/55/411047155.db2.gz DCQZQWFHEOJJFE-ZDUSSCGKSA-N 1 0 317.349 1.361 20 5 DDBDRO CC(C)C[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])nn2C)CC1 ZINC000356475326 411049747 /nfs/dbraw/zinc/04/97/47/411049747.db2.gz HWVJSYBELISOKR-UHFFFAOYSA-N 1 0 309.370 1.179 20 5 DDBDRO Cc1ccc([C@H](C)[NH2+]CCCn2cc(CO)nn2)cc1[N+](=O)[O-] ZINC000353578464 411070853 /nfs/dbraw/zinc/07/08/53/411070853.db2.gz RRSMDTYTQYKCID-LBPRGKRZSA-N 1 0 319.365 1.728 20 5 DDBDRO O=C(NCCNc1cc[nH+]cc1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344202105 411024815 /nfs/dbraw/zinc/02/48/15/411024815.db2.gz BEFRLEYSPJYHOO-UHFFFAOYSA-N 1 0 304.281 1.393 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000571550993 304469770 /nfs/dbraw/zinc/46/97/70/304469770.db2.gz UQGHNDNZNJXNPF-GWCFXTLKSA-N 1 0 307.350 1.851 20 5 DDBDRO CN1CCO[C@@H](CNc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000486939864 416554560 /nfs/dbraw/zinc/55/45/60/416554560.db2.gz OTWYBDNKMHXYKN-LBPRGKRZSA-N 1 0 319.321 1.387 20 5 DDBDRO C[C@H](NC(=O)NC[C@H]1C[NH2+]CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000417128081 225218486 /nfs/dbraw/zinc/21/84/86/225218486.db2.gz HSRSXUGECMBQAS-SMDDNHRTSA-N 1 0 322.365 1.334 20 5 DDBDRO O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)NC[C@@H]1CCC[NH2+]1 ZINC000418080072 225574682 /nfs/dbraw/zinc/57/46/82/225574682.db2.gz BWAKGCWIADSVRS-VIFPVBQESA-N 1 0 318.337 1.022 20 5 DDBDRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000418609725 225825648 /nfs/dbraw/zinc/82/56/48/225825648.db2.gz DVYKQJRFPDQWLS-XHDPSFHLSA-N 1 0 318.377 1.661 20 5 DDBDRO COC[C@]1(C)CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000296665987 226103667 /nfs/dbraw/zinc/10/36/67/226103667.db2.gz KJOKVXOJRGIMRP-GOEBONIOSA-N 1 0 324.377 1.693 20 5 DDBDRO O=C(Nc1ccncc1[N+](=O)[O-])N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000373285250 418418618 /nfs/dbraw/zinc/41/86/18/418418618.db2.gz AESSLYKARVTVCH-NSHDSACASA-N 1 0 305.338 1.114 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000366556047 418490157 /nfs/dbraw/zinc/49/01/57/418490157.db2.gz OCSRTSTXCPVNRW-GXFFZTMASA-N 1 0 305.334 1.427 20 5 DDBDRO O=C(C1CC1)[C@H]1CN(CCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000360960672 418556002 /nfs/dbraw/zinc/55/60/02/418556002.db2.gz ZTWIZYBICJXYMT-OAHLLOKOSA-N 1 0 304.346 1.817 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)NCC(C)(C)[NH+]2CCCCC2)n1 ZINC000191757061 222108807 /nfs/dbraw/zinc/10/88/07/222108807.db2.gz NESQNTUDGGDTFO-UHFFFAOYSA-N 1 0 323.397 1.806 20 5 DDBDRO CC(C)C[C@H]1C(=O)NCCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000189819107 222058542 /nfs/dbraw/zinc/05/85/42/222058542.db2.gz KCWBDOMDKQIIEP-HNNXBMFYSA-N 1 0 305.378 1.984 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CCN(CCOc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000375036891 418593107 /nfs/dbraw/zinc/59/31/07/418593107.db2.gz IJGGVTLPBJRZJV-CZUORRHYSA-N 1 0 305.378 2.000 20 5 DDBDRO Cc1nc([N+](=O)[O-])c(-c2noc([C@H]3C[N@@H+](C)C[C@@H]3C)n2)n1C ZINC000361248774 418612613 /nfs/dbraw/zinc/61/26/13/418612613.db2.gz CXVDLPKPCNYPOU-CBAPKCEASA-N 1 0 306.326 1.352 20 5 DDBDRO CCOC[C@H](O)C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000361884600 418722050 /nfs/dbraw/zinc/72/20/50/418722050.db2.gz DXHPLBDDJBJOOR-CABCVRRESA-N 1 0 308.378 1.903 20 5 DDBDRO Cc1ccc(NC(=O)NCCOCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000361432633 418651731 /nfs/dbraw/zinc/65/17/31/418651731.db2.gz RBTJVCGVDLVCJJ-UHFFFAOYSA-N 1 0 310.354 1.603 20 5 DDBDRO C[C@H]1OCC[C@@H]1[N@H+](CCO)CCOc1cccc([N+](=O)[O-])c1 ZINC000361587114 418688104 /nfs/dbraw/zinc/68/81/04/418688104.db2.gz UWNFTDBMEYHTSN-DOMZBBRYSA-N 1 0 310.350 1.445 20 5 DDBDRO CN(CC[NH+]1CCCC1)C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000361614405 418691804 /nfs/dbraw/zinc/69/18/04/418691804.db2.gz CNPLBGGGEUEUAZ-UHFFFAOYSA-N 1 0 320.393 1.585 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@@H]2CCCCC2(F)F)c1 ZINC000390977497 418756230 /nfs/dbraw/zinc/75/62/30/418756230.db2.gz UIKGHHUGILKZFO-JQWIXIFHSA-N 1 0 318.324 1.567 20 5 DDBDRO COC(=O)[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)CC12CCC2 ZINC000373184992 418931059 /nfs/dbraw/zinc/93/10/59/418931059.db2.gz YBYUHESSBVYYAU-LBPRGKRZSA-N 1 0 308.338 1.066 20 5 DDBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000417931050 419395556 /nfs/dbraw/zinc/39/55/56/419395556.db2.gz BLAYIMOUKBRIPM-OAHLLOKOSA-N 1 0 318.377 1.673 20 5 DDBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@H](C)C[C@H](CO)C1 ZINC000420950417 419382267 /nfs/dbraw/zinc/38/22/67/419382267.db2.gz WLNMYJIRUJFWIO-AGIUHOORSA-N 1 0 321.377 1.872 20 5 DDBDRO CC[NH2+][C@H](C)CNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000418082567 419520890 /nfs/dbraw/zinc/52/08/90/419520890.db2.gz JNLOSWHAMWUYMW-SECBINFHSA-N 1 0 320.353 1.268 20 5 DDBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000421701625 419689816 /nfs/dbraw/zinc/68/98/16/419689816.db2.gz HZVJSHWLYFUTMT-CYBMUJFWSA-N 1 0 307.350 1.526 20 5 DDBDRO COc1cc(C(=O)N(C)C[C@H]2CCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000421703782 419690079 /nfs/dbraw/zinc/69/00/79/419690079.db2.gz NAJBVFHIGVKWHZ-GFCCVEGCSA-N 1 0 307.350 1.770 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCCN1CC[NH+](C)CC1 ZINC000421739922 419706382 /nfs/dbraw/zinc/70/63/82/419706382.db2.gz FXVMIXDLZTXVFC-UHFFFAOYSA-N 1 0 320.393 1.189 20 5 DDBDRO CON1CCC([NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000421866520 419751641 /nfs/dbraw/zinc/75/16/41/419751641.db2.gz AMWAAEDOSUMTDZ-ZIAGYGMSSA-N 1 0 323.397 1.890 20 5 DDBDRO C[N@H+](CCCCNc1ccc2ncc([N+](=O)[O-])n2n1)C1CC1 ZINC000413351536 419778631 /nfs/dbraw/zinc/77/86/31/419778631.db2.gz ZYYKCLGNTLHWNW-UHFFFAOYSA-N 1 0 304.354 1.924 20 5 DDBDRO CCCc1n[nH]c(C(=O)NC2CCC([NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000422012747 419806649 /nfs/dbraw/zinc/80/66/49/419806649.db2.gz WLWBKJSKZWICPO-UHFFFAOYSA-N 1 0 323.397 1.873 20 5 DDBDRO [NH3+][C@@H]1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000414947689 419886409 /nfs/dbraw/zinc/88/64/09/419886409.db2.gz LBJLRBLBBYSQPP-SSDOTTSWSA-N 1 0 316.264 1.761 20 5 DDBDRO CN(C(=O)CN(C1CC1)[C@H]1CC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000435246189 229367207 /nfs/dbraw/zinc/36/72/07/229367207.db2.gz GAWGLGMWQIORRH-HNNXBMFYSA-N 1 0 318.377 1.384 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[NH2+][C@H](C)[C@@H]1C ZINC000436061297 229446339 /nfs/dbraw/zinc/44/63/39/229446339.db2.gz TZAULZILVAXHNZ-NEPJUHHUSA-N 1 0 306.366 1.524 20 5 DDBDRO Cc1ccc(C)c(C[N@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000429299016 419998715 /nfs/dbraw/zinc/99/87/15/419998715.db2.gz FLPJYTHNUMXETE-MRXNPFEDSA-N 1 0 318.377 1.901 20 5 DDBDRO Cc1nn(C)c(C(=O)NCc2ccc([C@H](C)[NH3+])cc2)c1[N+](=O)[O-] ZINC000429500404 420021202 /nfs/dbraw/zinc/02/12/02/420021202.db2.gz YHVICHAMIZONOW-VIFPVBQESA-N 1 0 317.349 1.586 20 5 DDBDRO CC1(C)CCC[NH2+][C@@H]1CNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000423619382 420101557 /nfs/dbraw/zinc/10/15/57/420101557.db2.gz VIDHMGZDOMHJPC-GFCCVEGCSA-N 1 0 306.366 1.685 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000415584925 420118697 /nfs/dbraw/zinc/11/86/97/420118697.db2.gz XCOWLSHUGCQPHP-GHMZBOCLSA-N 1 0 320.349 1.037 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000423574629 420084642 /nfs/dbraw/zinc/08/46/42/420084642.db2.gz XHWYSSGKFHMDPJ-MNOVXSKESA-N 1 0 307.350 1.721 20 5 DDBDRO C[NH+](C)CC[C@](C)(O)CNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000420010830 420090347 /nfs/dbraw/zinc/09/03/47/420090347.db2.gz HMGSGSMZTFOHGH-AWEZNQCLSA-N 1 0 313.329 1.166 20 5 DDBDRO COC(=O)c1cc(C(=O)N[C@H]2CC[NH2+]C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000423591574 420091521 /nfs/dbraw/zinc/09/15/21/420091521.db2.gz JMSOLGWSOCCESG-ZANVPECISA-N 1 0 321.333 1.109 20 5 DDBDRO C[NH2+]C1CCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000430930052 420211095 /nfs/dbraw/zinc/21/10/95/420211095.db2.gz RJFJFJUHBKALEE-LLVKDONJSA-N 1 0 306.366 1.606 20 5 DDBDRO C[NH2+]CCN(C)CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000420331854 420216173 /nfs/dbraw/zinc/21/61/73/420216173.db2.gz AWFWUVVXXVUUJG-UHFFFAOYSA-N 1 0 310.354 1.083 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000420346839 420224730 /nfs/dbraw/zinc/22/47/30/420224730.db2.gz DUNOXDUAQSXPAY-BETUJISGSA-N 1 0 318.377 1.668 20 5 DDBDRO COc1ccc(NC(=O)[C@@H](C)N2CC[C@@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000430965439 420225975 /nfs/dbraw/zinc/22/59/75/420225975.db2.gz JKWVNHPMLGVLRU-MNOVXSKESA-N 1 0 322.365 1.211 20 5 DDBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000420351588 420229530 /nfs/dbraw/zinc/22/95/30/420229530.db2.gz XKMVRXWEUQQSFB-FPMFFAJLSA-N 1 0 318.377 1.748 20 5 DDBDRO COc1ccc(OCCN[C@H](C[NH3+])C(C)(C)C)c([N+](=O)[O-])c1 ZINC000420356301 420232839 /nfs/dbraw/zinc/23/28/39/420232839.db2.gz GAGPKJQBAVOEBT-CQSZACIVSA-N 1 0 311.382 1.945 20 5 DDBDRO Nc1nc(NC[C@H]2CCC[N@@H+]2C2CCCCC2)ncc1[N+](=O)[O-] ZINC000435596849 420266896 /nfs/dbraw/zinc/26/68/96/420266896.db2.gz ZZBUZFMFGFBXKH-GFCCVEGCSA-N 1 0 320.397 1.598 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@@H](C)[C@@H](C)[NH3+])c1 ZINC000420433991 420284159 /nfs/dbraw/zinc/28/41/59/420284159.db2.gz DLXCLCUSIOCIFL-ZJUUUORDSA-N 1 0 301.368 1.226 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)c1 ZINC000425061079 420325370 /nfs/dbraw/zinc/32/53/70/420325370.db2.gz XWXUTQWREBVULP-XHDPSFHLSA-N 1 0 319.361 1.770 20 5 DDBDRO CCC[N@H+](C)C[C@@H]1CCN(c2c(C(N)=O)cccc2[N+](=O)[O-])C1 ZINC000420593919 420325618 /nfs/dbraw/zinc/32/56/18/420325618.db2.gz CLZYENCOXISVQT-LBPRGKRZSA-N 1 0 320.393 1.862 20 5 DDBDRO C[N@@H+]1CCC[C@H]2CN(c3c(C(N)=O)cccc3[N+](=O)[O-])CC[C@@H]21 ZINC000420606977 420329585 /nfs/dbraw/zinc/32/95/85/420329585.db2.gz ZBXYWDQTLAGUIX-AAEUAGOBSA-N 1 0 318.377 1.614 20 5 DDBDRO C[C@H]1C[C@@H](NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000447250486 230349923 /nfs/dbraw/zinc/34/99/23/230349923.db2.gz WJBIGQDMGXKJJW-JQWIXIFHSA-N 1 0 313.379 1.155 20 5 DDBDRO Cc1n[nH]c(C(=O)NC[C@H]2CCCC[N@H+]2CC(C)C)c1[N+](=O)[O-] ZINC000439696150 420532424 /nfs/dbraw/zinc/53/24/24/420532424.db2.gz MVLMLJCUSXGIHU-GFCCVEGCSA-N 1 0 323.397 1.867 20 5 DDBDRO Cc1c(CC(=O)N(C)[C@@H]2C[NH+]3CCC2CC3)cccc1[N+](=O)[O-] ZINC000438987313 420475093 /nfs/dbraw/zinc/47/50/93/420475093.db2.gz TUPXLAAHCVMPJI-MRXNPFEDSA-N 1 0 317.389 1.998 20 5 DDBDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000457084329 420604381 /nfs/dbraw/zinc/60/43/81/420604381.db2.gz GPBFFBBJDWYZRO-LLVKDONJSA-N 1 0 306.366 1.732 20 5 DDBDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000457094618 420610068 /nfs/dbraw/zinc/61/00/68/420610068.db2.gz OUNWPHHDRXKANG-SNVBAGLBSA-N 1 0 307.354 1.127 20 5 DDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N(C2CC2)[C@H]2CC[NH2+]C2)s1 ZINC000440445548 420576976 /nfs/dbraw/zinc/57/69/76/420576976.db2.gz PXBGQKMKODWSFY-VIFPVBQESA-N 1 0 317.392 1.171 20 5 DDBDRO Cc1c(NC(=O)[C@H](C)N2C[C@H](C[NH3+])C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000442792758 420715387 /nfs/dbraw/zinc/71/53/87/420715387.db2.gz QWGUKDPEHZIYHJ-DRZSPHRISA-N 1 0 320.393 1.899 20 5 DDBDRO COc1ccc(NC(=O)CN2C[C@@H](C[NH3+])C[C@H]2C)c([N+](=O)[O-])c1 ZINC000442794719 420717183 /nfs/dbraw/zinc/71/71/83/420717183.db2.gz UDNVQEPUVTXOJG-GHMZBOCLSA-N 1 0 322.365 1.211 20 5 DDBDRO CC[N@H+](C)CCNc1cc(CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000447804848 420802832 /nfs/dbraw/zinc/80/28/32/420802832.db2.gz GXMFMSOJPWKDNX-UHFFFAOYSA-N 1 0 322.409 1.791 20 5 DDBDRO CNc1nc(C(=O)NCC[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000454753497 420920182 /nfs/dbraw/zinc/92/01/82/420920182.db2.gz QZWXVSIOZZKJRI-UHFFFAOYSA-N 1 0 307.354 1.247 20 5 DDBDRO [NH3+][C@H]1C[C@H](NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000479792610 420984609 /nfs/dbraw/zinc/98/46/09/420984609.db2.gz LIOFZKPWRHZSND-ZKCHVHJHSA-N 1 0 305.743 1.016 20 5 DDBDRO CNc1nc(C(=O)N(C)[C@@H]2C[NH+]3CCC2CC3)ccc1[N+](=O)[O-] ZINC000455608399 421042965 /nfs/dbraw/zinc/04/29/65/421042965.db2.gz APLRYAJOUOVYLB-CYBMUJFWSA-N 1 0 319.365 1.198 20 5 DDBDRO [NH3+][C@@H]1CCC[C@H](CNC(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000449648785 421044465 /nfs/dbraw/zinc/04/44/65/421044465.db2.gz REXDRRRAHKUWDE-NWDGAFQWSA-N 1 0 306.366 1.640 20 5 DDBDRO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000449738487 421071555 /nfs/dbraw/zinc/07/15/55/421071555.db2.gz CGKYVOAVNQZEAW-ABAIWWIYSA-N 1 0 316.361 1.603 20 5 DDBDRO CC(C)[C@@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000489348694 421148759 /nfs/dbraw/zinc/14/87/59/421148759.db2.gz NBESLTTUICQNNZ-HNNXBMFYSA-N 1 0 305.378 1.936 20 5 DDBDRO C[C@]1(CO)CCC[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000545396210 421256754 /nfs/dbraw/zinc/25/67/54/421256754.db2.gz BSJYGZDLRXBXRY-OAHLLOKOSA-N 1 0 318.333 1.992 20 5 DDBDRO CC[C@H]1C[N@H+](C)CCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000562933257 421428474 /nfs/dbraw/zinc/42/84/74/421428474.db2.gz CLVYUJFESHVXPJ-ZDUSSCGKSA-N 1 0 306.366 1.220 20 5 DDBDRO C[N@H+](CCC(=O)NCCn1cc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000548392952 421432687 /nfs/dbraw/zinc/43/26/87/421432687.db2.gz JKCXYRRWVKMNNJ-UHFFFAOYSA-N 1 0 323.397 1.562 20 5 DDBDRO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000562977502 421434330 /nfs/dbraw/zinc/43/43/30/421434330.db2.gz ASIICEDXDSLHOR-NUPCCRGMSA-N 1 0 321.333 1.440 20 5 DDBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cc([N+](=O)[O-])cn1C ZINC000552041291 421570180 /nfs/dbraw/zinc/57/01/80/421570180.db2.gz HHPRWCOVBJIQAV-VXGBXAGGSA-N 1 0 306.366 1.632 20 5 DDBDRO C[C@@H]1C[N@@H+](CCCNC(=O)c2cc([N+](=O)[O-])cn2C)C[C@H](C)O1 ZINC000516387135 421544422 /nfs/dbraw/zinc/54/44/22/421544422.db2.gz DEWCGZADPYNNRY-TXEJJXNPSA-N 1 0 324.381 1.162 20 5 DDBDRO C[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1CCOCC1 ZINC000530627221 421610672 /nfs/dbraw/zinc/61/06/72/421610672.db2.gz KLDXABZPQVIDGA-AWEZNQCLSA-N 1 0 310.350 1.445 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CCC2CC(O)C2)c1 ZINC000571165793 421692792 /nfs/dbraw/zinc/69/27/92/421692792.db2.gz LUARWBGWFWTCDR-UBHUBRDASA-N 1 0 310.350 1.085 20 5 DDBDRO CC[C@H]1CN(C)CC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000572395924 421783471 /nfs/dbraw/zinc/78/34/71/421783471.db2.gz OXPXGHVEKIQFEQ-AWEZNQCLSA-N 1 0 320.393 1.949 20 5 DDBDRO COc1ccc(CC(=O)N[C@H]2CC[NH2+][C@H](C)C2)cc1[N+](=O)[O-] ZINC000574276316 422087132 /nfs/dbraw/zinc/08/71/32/422087132.db2.gz VGXAWFJRHWDSQH-PWSUYJOCSA-N 1 0 307.350 1.403 20 5 DDBDRO CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)c1cc([N+](=O)[O-])nn1C ZINC000574782458 422180303 /nfs/dbraw/zinc/18/03/03/422180303.db2.gz ZNYIQFLKWVORDN-LLVKDONJSA-N 1 0 309.370 1.275 20 5 DDBDRO COC(=O)c1ccnc(NCC[C@@H]2CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000598629752 422398308 /nfs/dbraw/zinc/39/83/08/422398308.db2.gz PGKAKMFMFBLYJS-NSHDSACASA-N 1 0 322.365 1.920 20 5 DDBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1ccnc(NC)c1[N+](=O)[O-] ZINC000577767803 422424494 /nfs/dbraw/zinc/42/44/94/422424494.db2.gz MDQHSDKUVKRHKG-NSHDSACASA-N 1 0 323.397 1.882 20 5 DDBDRO O=[N+]([O-])c1cnc2ccc(N3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)nn21 ZINC000579093991 422703134 /nfs/dbraw/zinc/70/31/34/422703134.db2.gz KPAXPBMBRHNFLW-NWDGAFQWSA-N 1 0 316.365 1.463 20 5 DDBDRO Cn1cc(C(=O)NCC[NH+](C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000097024516 263336235 /nfs/dbraw/zinc/33/62/35/263336235.db2.gz SCYCQUNJHSZNMM-UHFFFAOYSA-N 1 0 317.349 1.287 20 5 DDBDRO CC[NH+]1CCC(CCNc2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000266192491 263611786 /nfs/dbraw/zinc/61/17/86/263611786.db2.gz BUMFCFVKJHNQBG-UHFFFAOYSA-N 1 0 321.381 1.623 20 5 DDBDRO NC(=O)c1cccc(N2CC[C@H]([NH+]3CCCCC3)C2)c1[N+](=O)[O-] ZINC000342209366 271340157 /nfs/dbraw/zinc/34/01/57/271340157.db2.gz RUYLMPDDLJJOPO-LBPRGKRZSA-N 1 0 318.377 1.758 20 5 DDBDRO CC(C)C[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])n2C)CC1 ZINC000344788996 272118965 /nfs/dbraw/zinc/11/89/65/272118965.db2.gz LVTUTFDMBNEJNI-UHFFFAOYSA-N 1 0 308.382 1.784 20 5 DDBDRO COC(=O)c1cc(N2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc(C)c1[N+](=O)[O-] ZINC000420253969 274000058 /nfs/dbraw/zinc/00/00/58/274000058.db2.gz FNPQQVLJZMPFSC-VXGBXAGGSA-N 1 0 319.361 1.736 20 5 DDBDRO COc1cc(N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)c([N+](=O)[O-])cc1F ZINC000301646496 274096952 /nfs/dbraw/zinc/09/69/52/274096952.db2.gz ICIFIEAJOIQGEX-OCCSQVGLSA-N 1 0 311.313 1.262 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CC2(C3(O)CCC3)CC2)c1 ZINC001120604149 782049263 /nfs/dbraw/zinc/04/92/63/782049263.db2.gz QLEKCHBVHZHGLH-AWEZNQCLSA-N 1 0 306.362 1.913 20 5 DDBDRO [NH3+]C[C@@H]1CN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])CCCO1 ZINC000313347193 274950089 /nfs/dbraw/zinc/95/00/89/274950089.db2.gz COHXNEDMSKRNKX-MRVPVSSYSA-N 1 0 320.271 1.563 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC[N@@H+](CCO)CC2)c2cccnc21 ZINC000320971237 275036090 /nfs/dbraw/zinc/03/60/90/275036090.db2.gz XEWOFIKTTHSRNF-UHFFFAOYSA-N 1 0 316.361 1.647 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CC[C@@H]([NH+]3CC=CC3)C2)c([N+](=O)[O-])c1 ZINC000266241016 275036813 /nfs/dbraw/zinc/03/68/13/275036813.db2.gz LIGFLDZZVVFZEW-GFCCVEGCSA-N 1 0 304.306 1.954 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H](NC[C@@H]1C[NH2+]CCCO1)CCC2 ZINC000423492142 275037822 /nfs/dbraw/zinc/03/78/22/275037822.db2.gz LWOWDBGALJZDJX-HOCLYGCPSA-N 1 0 305.378 1.940 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)NCC2([NH+](C)C)CCC2)c1[N+](=O)[O-] ZINC000275803689 275722381 /nfs/dbraw/zinc/72/23/81/275722381.db2.gz CSFJOUGVZUCTTB-UHFFFAOYSA-N 1 0 309.370 1.655 20 5 DDBDRO CCC[NH2+][C@@H](C)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000294668141 276017846 /nfs/dbraw/zinc/01/78/46/276017846.db2.gz DEFMADKNLAZDHR-ZDUSSCGKSA-N 1 0 320.393 1.632 20 5 DDBDRO CCN(CC[NH+]1CCCCCC1)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000331568362 276124526 /nfs/dbraw/zinc/12/45/26/276124526.db2.gz USXMRCYTOMQRTO-UHFFFAOYSA-N 1 0 309.370 1.656 20 5 DDBDRO C[NH+](C)CCNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000130517524 276791117 /nfs/dbraw/zinc/79/11/17/276791117.db2.gz MARYLPONWSCKEV-UHFFFAOYSA-N 1 0 305.256 1.905 20 5 DDBDRO CS(=O)(=O)CC1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CCC1 ZINC000414552255 278104531 /nfs/dbraw/zinc/10/45/31/278104531.db2.gz CXNLOZCVTADKPA-UHFFFAOYSA-N 1 0 312.391 1.899 20 5 DDBDRO CC1(C)C[NH2+]CC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000261839388 278350365 /nfs/dbraw/zinc/35/03/65/278350365.db2.gz ZPAPTEUAAYZKQK-GFCCVEGCSA-N 1 0 313.379 1.261 20 5 DDBDRO C[C@@H]1CN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@H](C)[NH2+]1 ZINC000430928453 278797359 /nfs/dbraw/zinc/79/73/59/278797359.db2.gz LOCALDHNEFFVRG-ZOWXZIJZSA-N 1 0 318.377 1.382 20 5 DDBDRO CC[NH+](CC)CCCN1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000298183902 279095026 /nfs/dbraw/zinc/09/50/26/279095026.db2.gz VXIHUMSLHGXBLE-UHFFFAOYSA-N 1 0 321.425 1.844 20 5 DDBDRO C[C@H]1[NH2+]CCC[C@H]1NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000193538387 280047930 /nfs/dbraw/zinc/04/79/30/280047930.db2.gz SQHKHLTWKSAQRO-VXGBXAGGSA-N 1 0 306.366 1.654 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](C)CC[NH3+])c1C ZINC000447256397 281015771 /nfs/dbraw/zinc/01/57/71/281015771.db2.gz KYMWINCAPAQRQF-VIFPVBQESA-N 1 0 301.368 1.227 20 5 DDBDRO CN(CC[NH+]1CCCC1)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000124367869 281189604 /nfs/dbraw/zinc/18/96/04/281189604.db2.gz LMTKCVQBPAKUQW-UHFFFAOYSA-N 1 0 320.349 1.088 20 5 DDBDRO CN(CC(=O)N[C@@H]1CCC[C@H]1C[NH3+])c1ccccc1[N+](=O)[O-] ZINC000262595657 289480844 /nfs/dbraw/zinc/48/08/44/289480844.db2.gz UPUIWYODXLAWRJ-NWDGAFQWSA-N 1 0 306.366 1.275 20 5 DDBDRO COC(=O)C[C@]1([NH2+]Cc2ccc([N+](=O)[O-])cc2C)CCOC1 ZINC000361728449 299926083 /nfs/dbraw/zinc/92/60/83/299926083.db2.gz KIKJJAZEJGUMOQ-OAHLLOKOSA-N 1 0 308.334 1.715 20 5 DDBDRO C[N@H+](CCCC(=O)OC(C)(C)C)CCn1ccc([N+](=O)[O-])n1 ZINC000357932318 299024045 /nfs/dbraw/zinc/02/40/45/299024045.db2.gz RWBUEDBLHJUMLZ-UHFFFAOYSA-N 1 0 312.370 1.845 20 5 DDBDRO COCCO[C@H]1COCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000362506479 300081244 /nfs/dbraw/zinc/08/12/44/300081244.db2.gz AYGQQSIMSPFXIA-HOTGVXAUSA-N 1 0 324.377 1.813 20 5 DDBDRO C[NH+](C)CCCCNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000362762028 300133236 /nfs/dbraw/zinc/13/32/36/300133236.db2.gz DYSQYXOHZILVSE-UHFFFAOYSA-N 1 0 315.320 1.874 20 5 DDBDRO O=C(NCCNc1ccccc1[N+](=O)[O-])[C@@H]1C[NH+]2CCC1CC2 ZINC000362804990 300145003 /nfs/dbraw/zinc/14/50/03/300145003.db2.gz HIXBZWYSKSOCTR-CYBMUJFWSA-N 1 0 318.377 1.465 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CCC[C@@H]2CCOC2)c1 ZINC000574512525 304658856 /nfs/dbraw/zinc/65/88/56/304658856.db2.gz PRILWZPTDBFIDI-UKRRQHHQSA-N 1 0 324.377 1.741 20 5 DDBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cc([N+](=O)[O-])cnc3N)CC[C@H]21 ZINC000369981748 301251235 /nfs/dbraw/zinc/25/12/35/301251235.db2.gz CYMBKKKSLFGHQJ-GXFFZTMASA-N 1 0 319.365 1.128 20 5 DDBDRO O=C(NC[C@@H]1CCC[N@@H+]1CCc1ccccc1)[C@H]1C[C@H]1[N+](=O)[O-] ZINC000370217831 301296355 /nfs/dbraw/zinc/29/63/55/301296355.db2.gz BQENGVXURUUPII-HRCADAONSA-N 1 0 317.389 1.475 20 5 DDBDRO O=[N+]([O-])c1ccc(OCC[NH2+]C[C@@H](O)CC(F)(F)F)cc1 ZINC000575796537 304733353 /nfs/dbraw/zinc/73/33/53/304733353.db2.gz DBOOIUGJWYDPFZ-JTQLQIEISA-N 1 0 308.256 1.877 20 5 DDBDRO Nc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000371626651 301484533 /nfs/dbraw/zinc/48/45/33/301484533.db2.gz HPCAJCBLUBKINW-LLVKDONJSA-N 1 0 319.365 1.130 20 5 DDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000375835324 302001515 /nfs/dbraw/zinc/00/15/15/302001515.db2.gz TTZKPXWQGSVKOK-ZWKOPEQDSA-N 1 0 304.350 1.376 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000377740572 302223786 /nfs/dbraw/zinc/22/37/86/302223786.db2.gz CQTVNLNXDJIHMS-QWRGUYRKSA-N 1 0 305.334 1.285 20 5 DDBDRO O=C1OCCN1CCC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000496225377 302541711 /nfs/dbraw/zinc/54/17/11/302541711.db2.gz ISDAGVZNCQTHPO-ZDUSSCGKSA-N 1 0 309.322 1.060 20 5 DDBDRO C[C@@H](C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)Cc1cccs1 ZINC000521031298 302869746 /nfs/dbraw/zinc/86/97/46/302869746.db2.gz ZLJSEGPLYPWFFB-DGCLKSJQSA-N 1 0 324.406 1.682 20 5 DDBDRO Cc1ccc(S(=O)(=O)N[C@H](C)CC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000357667894 306904653 /nfs/dbraw/zinc/90/46/53/306904653.db2.gz QNZSGMYQBQUEJZ-LLVKDONJSA-N 1 0 315.395 1.522 20 5 DDBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1COCCO1 ZINC000358227545 306935200 /nfs/dbraw/zinc/93/52/00/306935200.db2.gz UNKQWQYKAZTTKR-RISCZKNCSA-N 1 0 323.349 1.317 20 5 DDBDRO COc1ccc(OCC[N@H+]2C[C@H](CO)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000362086969 307013581 /nfs/dbraw/zinc/01/35/81/307013581.db2.gz LFXAKBUVMMJIAF-VXGBXAGGSA-N 1 0 310.350 1.542 20 5 DDBDRO COc1ccc(C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000363939931 307038219 /nfs/dbraw/zinc/03/82/19/307038219.db2.gz VKHWGRNMCGBCGF-STQMWFEESA-N 1 0 319.361 1.960 20 5 DDBDRO CCc1ccc([C@@H]2C[NH2+]CCN2C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC000367141639 307086893 /nfs/dbraw/zinc/08/68/93/307086893.db2.gz VAYSYXQKPWNJSG-KFWWJZLASA-N 1 0 303.362 1.387 20 5 DDBDRO C[N@@H+]1CCC[C@@H]1CCN1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369017396 307114512 /nfs/dbraw/zinc/11/45/12/307114512.db2.gz OIDFLILIDQXYMR-ZIAGYGMSSA-N 1 0 307.398 1.913 20 5 DDBDRO NC(=O)C[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000377601544 307274559 /nfs/dbraw/zinc/27/45/59/307274559.db2.gz CGIUAJSHCMCEIW-SECBINFHSA-N 1 0 308.294 1.200 20 5 DDBDRO O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC[C@@H]1C[NH2+]CCCO1 ZINC000390176675 307293578 /nfs/dbraw/zinc/29/35/78/307293578.db2.gz QTQQLPGZFDMILS-GJBLVYBDSA-N 1 0 305.334 1.103 20 5 DDBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NCCCN1CC[NH2+]CC1 ZINC000390346028 307293686 /nfs/dbraw/zinc/29/36/86/307293686.db2.gz XKUSETRHTKOQJX-DAXSKMNVSA-N 1 0 318.377 1.020 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@]3(C2)CCC[NH2+]C3)n1 ZINC000519533061 307453229 /nfs/dbraw/zinc/45/32/29/307453229.db2.gz MNWCKSKPQSMVTF-OAHLLOKOSA-N 1 0 320.349 1.356 20 5 DDBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000519535676 307453384 /nfs/dbraw/zinc/45/33/84/307453384.db2.gz BMWVYSNVHDNDIG-RYUDHWBXSA-N 1 0 308.382 1.905 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCN(S(C)(=O)=O)C1 ZINC000565085322 308019329 /nfs/dbraw/zinc/01/93/29/308019329.db2.gz NRRNTYIKPIHXNM-GFCCVEGCSA-N 1 0 313.379 1.027 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@@H]2CCC[C@@H](O)C2)c1 ZINC000565893119 308038478 /nfs/dbraw/zinc/03/84/78/308038478.db2.gz WNRUSISXCNBULR-BPLDGKMQSA-N 1 0 324.377 1.475 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000566797711 308064020 /nfs/dbraw/zinc/06/40/20/308064020.db2.gz MDNHTHFZSGMIMP-LBPRGKRZSA-N 1 0 315.333 1.027 20 5 DDBDRO C[C@H]1CS(=O)(=O)C[C@H]1[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000567487446 308081983 /nfs/dbraw/zinc/08/19/83/308081983.db2.gz OQUAJKQWVASGTB-ZWKOPEQDSA-N 1 0 310.375 1.605 20 5 DDBDRO CC1(C)C[C@@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000576149246 308292615 /nfs/dbraw/zinc/29/26/15/308292615.db2.gz PMUSNOBBCLFBKB-QWHCGFSZSA-N 1 0 324.377 1.882 20 5 DDBDRO CC1(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CCOCC1 ZINC000576220350 308298011 /nfs/dbraw/zinc/29/80/11/308298011.db2.gz NHDYKADTCVMNGV-ZDUSSCGKSA-N 1 0 324.377 1.741 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2C[C@H]2c2ccc(F)cc2)c1 ZINC000576393051 308311298 /nfs/dbraw/zinc/31/12/98/308311298.db2.gz OINRJCWDFHXLGT-QLFBSQMISA-N 1 0 320.324 1.437 20 5 DDBDRO COc1ccc(CC(=O)N[C@@H]2CCCC[C@H]2[NH3+])cc1[N+](=O)[O-] ZINC000576935541 308350320 /nfs/dbraw/zinc/35/03/20/308350320.db2.gz TXINMZIQXOJYSC-VXGBXAGGSA-N 1 0 307.350 1.532 20 5 DDBDRO COCC[NH2+]C1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000577525052 308395917 /nfs/dbraw/zinc/39/59/17/308395917.db2.gz AFTOHQPLCQGDND-UHFFFAOYSA-N 1 0 321.377 1.364 20 5 DDBDRO COc1ccc(CC(=O)NCC[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000584112237 331795089 /nfs/dbraw/zinc/79/50/89/331795089.db2.gz WEUWDONSZUFAGJ-NSHDSACASA-N 1 0 307.350 1.262 20 5 DDBDRO CS(=O)(=O)CC1(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000583451483 332423671 /nfs/dbraw/zinc/42/36/71/332423671.db2.gz WHESYDPWIKSCQZ-ZDUSSCGKSA-N 1 0 324.402 1.997 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CC2Cc3ccccc3C2)c1 ZINC000582415983 336969359 /nfs/dbraw/zinc/96/93/59/336969359.db2.gz QDRPZNRFKOWANU-INIZCTEOSA-N 1 0 316.361 1.157 20 5 DDBDRO [NH3+]CC1(O)CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000397090487 337249380 /nfs/dbraw/zinc/24/93/80/337249380.db2.gz VLHHJRLTPUDSMD-UHFFFAOYSA-N 1 0 313.741 1.174 20 5 DDBDRO CC(C)OC[C@H](O)C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000493796300 484238837 /nfs/dbraw/zinc/23/88/37/484238837.db2.gz OTSKTBCHCUMZAA-TZMCWYRMSA-N 1 0 324.381 1.262 20 5 DDBDRO COC(=O)c1cc(C(=O)NC2CCC([NH3+])CC2)cc([N+](=O)[O-])c1 ZINC000422774006 533731248 /nfs/dbraw/zinc/73/12/48/533731248.db2.gz ZQVNSIUOLWRXCH-UHFFFAOYSA-N 1 0 321.333 1.381 20 5 DDBDRO C[C@H]1CN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC[N@@H+]1CCO ZINC000302443700 533977313 /nfs/dbraw/zinc/97/73/13/533977313.db2.gz QWVBYNWSHUKIGD-LBPRGKRZSA-N 1 0 316.361 1.646 20 5 DDBDRO CS[C@@H]1CC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000451308209 533980601 /nfs/dbraw/zinc/98/06/01/533980601.db2.gz AFGFPSSGHFQTRT-TZMCWYRMSA-N 1 0 312.391 1.772 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H](C)C[NH+](C)C ZINC000292829738 534346886 /nfs/dbraw/zinc/34/68/86/534346886.db2.gz ZFTMORDITPQMQC-SNVBAGLBSA-N 1 0 315.395 1.379 20 5 DDBDRO O=C(Nc1ncc(C2CC[NH2+]CC2)s1)c1cc([N+](=O)[O-])n[nH]1 ZINC000423949657 534472744 /nfs/dbraw/zinc/47/27/44/534472744.db2.gz MWAYNXXJKVZWAT-UHFFFAOYSA-N 1 0 322.350 1.494 20 5 DDBDRO CC(C)(CO)[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)C1CC1 ZINC000292917914 527220250 /nfs/dbraw/zinc/22/02/50/527220250.db2.gz BNSGYMIDTYUKID-CQSZACIVSA-N 1 0 309.366 1.143 20 5 DDBDRO CCOC(=O)[C@H]1NCC[C@H]1[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000423016980 528093171 /nfs/dbraw/zinc/09/31/71/528093171.db2.gz VFECZVZDHGWIMH-KGLIPLIRSA-N 1 0 307.350 1.021 20 5 DDBDRO CCOC(=O)c1cc(C(=O)N[C@@H]2CCC[NH2+]C2)cc([N+](=O)[O-])c1 ZINC000422729248 528151999 /nfs/dbraw/zinc/15/19/99/528151999.db2.gz KFPBFGQGBGQHPR-GFCCVEGCSA-N 1 0 321.333 1.253 20 5 DDBDRO CCC([NH3+])(CC)CNC(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000417184194 528936958 /nfs/dbraw/zinc/93/69/58/528936958.db2.gz RBEOJUYISIXFQR-UHFFFAOYSA-N 1 0 324.381 1.920 20 5 DDBDRO CC(C)[C@H](CC(F)(F)F)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000445894514 528979704 /nfs/dbraw/zinc/97/97/04/528979704.db2.gz QPKCZVJEWRTREH-QWRGUYRKSA-N 1 0 324.303 1.719 20 5 DDBDRO C[NH+](C)C1CCN(c2ccc([N+](=O)[O-])c(-c3nn[nH]n3)c2)CC1 ZINC000825856609 607451611 /nfs/dbraw/zinc/45/16/11/607451611.db2.gz YIOMXVPGHLQDGQ-UHFFFAOYSA-N 1 0 317.353 1.305 20 5 DDBDRO CCC[N@H+](CC)CCNc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000821095175 606138909 /nfs/dbraw/zinc/13/89/09/606138909.db2.gz ZULYVCRSUPFUJJ-UHFFFAOYSA-N 1 0 319.369 1.919 20 5 DDBDRO CC(C)(C)C(=O)NC[C@@H]1CCCN(Cn2nccc2[N+](=O)[O-])C1 ZINC000112695061 696652022 /nfs/dbraw/zinc/65/20/22/696652022.db2.gz ZPPDDOARHBXANR-LBPRGKRZSA-N 1 0 323.397 1.623 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCC[S@@](C)=O ZINC000116918284 696669041 /nfs/dbraw/zinc/66/90/41/696669041.db2.gz GKRBJPDSRBYQRO-FQEVSTJZSA-N 1 0 300.380 1.852 20 5 DDBDRO O=[N+]([O-])c1ccc(Cl)cc1CNC[C@@H]1CCCS1(=O)=O ZINC000127001522 696767152 /nfs/dbraw/zinc/76/71/52/696767152.db2.gz VSPMIRXRCBAVBF-NSHDSACASA-N 1 0 318.782 1.915 20 5 DDBDRO C[C@@H]([NH2+]CCOCCS(C)(=O)=O)c1ccc([N+](=O)[O-])cc1 ZINC000178658844 697427107 /nfs/dbraw/zinc/42/71/07/697427107.db2.gz XZISPNLMESUSET-LLVKDONJSA-N 1 0 316.379 1.307 20 5 DDBDRO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776583087 698121442 /nfs/dbraw/zinc/12/14/42/698121442.db2.gz ZLXFRRANJPGGTM-MPKXVKKWSA-N 1 0 307.350 1.214 20 5 DDBDRO COC(=O)[C@]1(C)CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776586975 698122487 /nfs/dbraw/zinc/12/24/87/698122487.db2.gz RTDPGTMBFZCJDY-UKRRQHHQSA-N 1 0 308.334 1.513 20 5 DDBDRO O=C(NCC[NH+]1CCCC1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000778221452 698250739 /nfs/dbraw/zinc/25/07/39/698250739.db2.gz NECBLLPSDPGOKV-UHFFFAOYSA-N 1 0 313.304 1.899 20 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/nfs/dbraw/zinc/27/72/64/699277264.db2.gz SHWBHKZIMSRZFC-VXGBXAGGSA-N 1 0 300.384 1.028 20 5 DDBDRO COC(=O)[C@H]1[C@@H]2C[N@@H+](CCCOc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000794969688 699838995 /nfs/dbraw/zinc/83/89/95/699838995.db2.gz BFUWFCFDKCCTKJ-FICVDOATSA-N 1 0 320.345 1.715 20 5 DDBDRO CCc1[nH]nc(C(=O)OCC[C@@H]2CCCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000795612230 699878764 /nfs/dbraw/zinc/87/87/64/699878764.db2.gz OVDZVBLOXMOURT-JTQLQIEISA-N 1 0 310.354 1.912 20 5 DDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[N@H+](C)[C@@H](C)C1 ZINC000761067599 700838214 /nfs/dbraw/zinc/83/82/14/700838214.db2.gz FYWYKDJWQKISFF-NWDGAFQWSA-N 1 0 306.366 1.558 20 5 DDBDRO C[N@@H+]1CCCC[C@H]1CCC(=O)OCCn1cc([N+](=O)[O-])cn1 ZINC000803855397 701149655 /nfs/dbraw/zinc/14/96/55/701149655.db2.gz HWJBECALJMSQMX-LBPRGKRZSA-N 1 0 310.354 1.599 20 5 DDBDRO C[C@H](Cc1cnn(C)c1)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000768404126 701175003 /nfs/dbraw/zinc/17/50/03/701175003.db2.gz VPKVRQVTBPYCQP-ABAIWWIYSA-N 1 0 304.350 1.583 20 5 DDBDRO Cc1ccc(CN2CC[NH+](CCCCO)CC2)cc1[N+](=O)[O-] ZINC000769395983 701243476 /nfs/dbraw/zinc/24/34/76/701243476.db2.gz SHGCVHLZJXDTHH-UHFFFAOYSA-N 1 0 307.394 1.793 20 5 DDBDRO CN(C)C(=O)[C@@H]1CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000839636629 701761620 /nfs/dbraw/zinc/76/16/20/701761620.db2.gz SPONLTJVRYZFJT-TZMCWYRMSA-N 1 0 307.350 1.038 20 5 DDBDRO Cn1ncc(C[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)n1 ZINC000815141225 701813068 /nfs/dbraw/zinc/81/30/68/701813068.db2.gz WDBMLTWVXVXSNW-UHFFFAOYSA-N 1 0 300.322 1.537 20 5 DDBDRO CC[N@@H+]1CC[C@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000879231056 706622824 /nfs/dbraw/zinc/62/28/24/706622824.db2.gz RRCQDPKLJLBXIK-NSHDSACASA-N 1 0 308.338 1.819 20 5 DDBDRO C[C@H]([NH2+]Cc1ccc(C(N)=O)nc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815587825 701899983 /nfs/dbraw/zinc/89/99/83/701899983.db2.gz UVRIXOSOVYFFLA-VIFPVBQESA-N 1 0 315.333 1.522 20 5 DDBDRO C[C@]1([NH3+])CCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000868072019 701925326 /nfs/dbraw/zinc/92/53/26/701925326.db2.gz KZZMDUPFGHMELM-INIZCTEOSA-N 1 0 318.377 1.758 20 5 DDBDRO C[N@@H+]1CC[C@H]2CN(C(=O)NCc3cccc([N+](=O)[O-])c3)CC[C@H]21 ZINC000868160298 701970199 /nfs/dbraw/zinc/97/01/99/701970199.db2.gz DUDFEYCUOQJVJH-DZGCQCFKSA-N 1 0 318.377 1.830 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(Cn3c(=O)oc4cccc([N+](=O)[O-])c43)C[C@@H]21 ZINC000840134417 701989588 /nfs/dbraw/zinc/98/95/88/701989588.db2.gz WKRXSYHLQVNAQG-PWSUYJOCSA-N 1 0 318.333 1.096 20 5 DDBDRO C[NH+](C)C[C@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])c2ccccc2O1 ZINC000840396274 702096783 /nfs/dbraw/zinc/09/67/83/702096783.db2.gz XXUYILCFNCAXFZ-DMDPSCGWSA-N 1 0 305.334 1.007 20 5 DDBDRO Cc1cc(C(=O)N2CC[C@H]([NH+](C)C)[C@H]2C)c(N)c([N+](=O)[O-])c1 ZINC000816768407 702188086 /nfs/dbraw/zinc/18/80/86/702188086.db2.gz VIEMTDOJBBTODY-PWSUYJOCSA-N 1 0 306.366 1.650 20 5 DDBDRO CNC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000879334833 706653765 /nfs/dbraw/zinc/65/37/65/706653765.db2.gz NQCVVOARICHBPF-CQSZACIVSA-N 1 0 306.366 1.878 20 5 DDBDRO CN(C[C@H]1CCC[N@@H+]1C)Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000817374830 702361299 /nfs/dbraw/zinc/36/12/99/702361299.db2.gz MOSOYRLAAJPWRH-LLVKDONJSA-N 1 0 320.349 1.486 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000817492516 702390801 /nfs/dbraw/zinc/39/08/01/702390801.db2.gz XTECNXXHWMGKQT-CYBMUJFWSA-N 1 0 320.393 1.827 20 5 DDBDRO CC(C)(C)[C@@H](C[NH3+])NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000818006411 702550908 /nfs/dbraw/zinc/55/09/08/702550908.db2.gz AXGJNQLQVQGUCY-CYBMUJFWSA-N 1 0 319.365 1.434 20 5 DDBDRO C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000818010976 702553024 /nfs/dbraw/zinc/55/30/24/702553024.db2.gz SDNYNWGIYXDFKO-ONGXEEELSA-N 1 0 322.321 1.560 20 5 DDBDRO CO[C@@](C)(CO)C[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866384615 706686677 /nfs/dbraw/zinc/68/66/77/706686677.db2.gz NECXOEOISHBPOZ-IINYFYTJSA-N 1 0 300.330 1.652 20 5 DDBDRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000842160838 702678166 /nfs/dbraw/zinc/67/81/66/702678166.db2.gz AJMTWPHLFCHMIR-VXGBXAGGSA-N 1 0 311.357 1.621 20 5 DDBDRO Cc1cc(S(=O)(=O)N[C@@H](C)CC[NH3+])cc([N+](=O)[O-])c1F ZINC000842789766 702773873 /nfs/dbraw/zinc/77/38/73/702773873.db2.gz CNJNWVCWLUAOOG-QMMMGPOBSA-N 1 0 305.331 1.058 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H]2c3ccccc3C[C@@H]2O)cc1 ZINC000843063814 702811622 /nfs/dbraw/zinc/81/16/22/702811622.db2.gz AWROHLCULGRCMP-GVDBMIGSSA-N 1 0 314.341 1.876 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@H](CO)CC(F)(F)F)c1 ZINC000843086985 702816097 /nfs/dbraw/zinc/81/60/97/702816097.db2.gz HNMZODYMYLALTI-ONGXEEELSA-N 1 0 308.256 1.531 20 5 DDBDRO [NH3+]CC[C@H](NC(=O)COc1ccc([N+](=O)[O-])c(F)c1)C(F)F ZINC000843484089 702891065 /nfs/dbraw/zinc/89/10/65/702891065.db2.gz MDZLDXQZQICUAM-VIFPVBQESA-N 1 0 321.255 1.211 20 5 DDBDRO COc1ccc(CC(=O)NCCCCCC[NH3+])cc1[N+](=O)[O-] ZINC000843510384 702897229 /nfs/dbraw/zinc/89/72/29/702897229.db2.gz OVAUFRQDMAPSNK-UHFFFAOYSA-N 1 0 309.366 1.781 20 5 DDBDRO Cc1c(-c2noc([C@]34C[NH2+]C[C@H]3COC4)n2)cccc1[N+](=O)[O-] ZINC000844919424 703085221 /nfs/dbraw/zinc/08/52/21/703085221.db2.gz LHPWLKUCFQELKB-BONVTDFDSA-N 1 0 316.317 1.441 20 5 DDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000846690249 703318076 /nfs/dbraw/zinc/31/80/76/703318076.db2.gz PWFKUFPYUASNHX-BONVTDFDSA-N 1 0 304.350 1.378 20 5 DDBDRO Cc1cc(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)c(N)c([N+](=O)[O-])c1 ZINC000848293614 703536623 /nfs/dbraw/zinc/53/66/23/703536623.db2.gz TVRNBWQICJNYLZ-PHIMTYICSA-N 1 0 306.366 1.555 20 5 DDBDRO COCCN(CC1CC[NH+](C)CC1)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000869767687 703845577 /nfs/dbraw/zinc/84/55/77/703845577.db2.gz RMCKFKBPNSAIIN-UHFFFAOYSA-N 1 0 324.381 1.353 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCOC[C@@H]2CCCO2)c1 ZINC000819073819 704065422 /nfs/dbraw/zinc/06/54/22/704065422.db2.gz PMMRRJZHIIAQSL-LSDHHAIUSA-N 1 0 310.350 1.413 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[NH2+]C[C@@H](O)c2c(F)cccc2F)c1 ZINC000819176621 704081668 /nfs/dbraw/zinc/08/16/68/704081668.db2.gz LJZLRAAFCGSKBI-GFCCVEGCSA-N 1 0 312.276 1.393 20 5 DDBDRO CNC(=O)C1CCC([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000819230754 704091252 /nfs/dbraw/zinc/09/12/52/704091252.db2.gz YNMQJNRZGWEQND-ABIUDSBCSA-N 1 0 321.377 1.523 20 5 DDBDRO CCCN1C[C@@H](C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000819375902 704115852 /nfs/dbraw/zinc/11/58/52/704115852.db2.gz VEGJLGAHKYABTA-IUODEOHRSA-N 1 0 321.377 1.476 20 5 DDBDRO C[N@@H+]1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])CCC1(C)C ZINC000871156296 704232980 /nfs/dbraw/zinc/23/29/80/704232980.db2.gz VQHQJZKGCGWMSR-UHFFFAOYSA-N 1 0 306.366 1.733 20 5 DDBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC(C[NH+](C)C)C1 ZINC000821009896 704358776 /nfs/dbraw/zinc/35/87/76/704358776.db2.gz GGWFJVDCYWNWHJ-UHFFFAOYSA-N 1 0 309.391 1.950 20 5 DDBDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000855899217 704505417 /nfs/dbraw/zinc/50/54/17/704505417.db2.gz INGIBXUTYAVJHX-NSHDSACASA-N 1 0 321.381 1.422 20 5 DDBDRO O=C(N1CCC[NH2+]CC1)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857762885 704621602 /nfs/dbraw/zinc/62/16/02/704621602.db2.gz HICYIKWLDRNWGB-UHFFFAOYSA-N 1 0 315.276 1.388 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000822506395 704963129 /nfs/dbraw/zinc/96/31/29/704963129.db2.gz KSRFSEAVDZSFLN-BETUJISGSA-N 1 0 303.362 1.845 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)CN2CC[NH+](CCCF)CC2)cc1 ZINC000860008350 705068365 /nfs/dbraw/zinc/06/83/65/705068365.db2.gz VOBLQYPPLYUIPJ-HNNXBMFYSA-N 1 0 311.357 1.605 20 5 DDBDRO Cc1cc(-c2noc(C[C@@H]3COCC[NH2+]3)n2)cc([N+](=O)[O-])c1 ZINC000823270384 705189117 /nfs/dbraw/zinc/18/91/17/705189117.db2.gz REYJUMGUVPQXTE-LLVKDONJSA-N 1 0 304.306 1.484 20 5 DDBDRO O=[N+]([O-])c1ccc(SCc2nc(N3CC[NH2+]CC3)no2)cc1 ZINC000823330417 705209238 /nfs/dbraw/zinc/20/92/38/705209238.db2.gz ORTHZRBJFDDCTD-UHFFFAOYSA-N 1 0 321.362 1.680 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)NCCC[N@@H+](C)CC(C)C ZINC000823817787 705324178 /nfs/dbraw/zinc/32/41/78/705324178.db2.gz OSRGRCDILRKVGQ-UHFFFAOYSA-N 1 0 311.386 1.194 20 5 DDBDRO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823968186 705346821 /nfs/dbraw/zinc/34/68/21/705346821.db2.gz MNTNISDNQSXLPM-UWVGGRQHSA-N 1 0 307.354 1.733 20 5 DDBDRO C[C@H]([NH2+][C@H]1C[C@H]2CCCCN2C1=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834916448 707147848 /nfs/dbraw/zinc/14/78/48/707147848.db2.gz YVVOELBNSGXLJH-SUHUHFCYSA-N 1 0 318.377 1.981 20 5 DDBDRO CO[C@H]1C[N@H+](C)[C@](C)(COC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000861340622 705433209 /nfs/dbraw/zinc/43/32/09/705433209.db2.gz KGMBBXXQNQFZRZ-HIFRSBDPSA-N 1 0 308.334 1.861 20 5 DDBDRO CC(C)[N@@H+]1CCCN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000825676176 705712677 /nfs/dbraw/zinc/71/26/77/705712677.db2.gz SVXIGNOGWGMSKD-OAHLLOKOSA-N 1 0 321.377 1.571 20 5 DDBDRO C[N@@H+]1CCCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000862793670 705799507 /nfs/dbraw/zinc/79/95/07/705799507.db2.gz SKXUIDPQOBDMQZ-JTQLQIEISA-N 1 0 307.354 1.034 20 5 DDBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876649686 705801874 /nfs/dbraw/zinc/80/18/74/705801874.db2.gz CEUATXPPTYPLEC-UKRRQHHQSA-N 1 0 323.368 1.981 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](N2CCOC2=O)C1 ZINC000827000804 705910481 /nfs/dbraw/zinc/91/04/81/705910481.db2.gz OXOIFLVBRBOJBG-AWEZNQCLSA-N 1 0 305.334 1.930 20 5 DDBDRO Cc1c(CC(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)cccc1[N+](=O)[O-] ZINC000827300342 705971177 /nfs/dbraw/zinc/97/11/77/705971177.db2.gz MJACEPXRDOTZIK-GOEBONIOSA-N 1 0 317.389 1.998 20 5 DDBDRO CC1(C)[C@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)[C@H]2CCO[C@@H]21 ZINC000877058972 705974084 /nfs/dbraw/zinc/97/40/84/705974084.db2.gz HYLMAOQJCOBWRV-OFQAYHPLSA-N 1 0 306.366 1.898 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)c1 ZINC000827330867 705977543 /nfs/dbraw/zinc/97/75/43/705977543.db2.gz SKINIXDAJLKNPX-RISCZKNCSA-N 1 0 319.361 1.770 20 5 DDBDRO COc1c(C)cnc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)c1C ZINC000877096086 705981358 /nfs/dbraw/zinc/98/13/58/705981358.db2.gz XENZWRWGAUPONX-UHFFFAOYSA-N 1 0 305.338 1.602 20 5 DDBDRO CNc1ccc(C(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)cc1[N+](=O)[O-] ZINC000877286958 706048910 /nfs/dbraw/zinc/04/89/10/706048910.db2.gz HFQLZXWMVOGVBL-OLZOCXBDSA-N 1 0 304.350 1.603 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC000828299730 706156450 /nfs/dbraw/zinc/15/64/50/706156450.db2.gz JBDORVVLZHKLAH-UHFFFAOYSA-N 1 0 309.370 1.042 20 5 DDBDRO COC(=O)COc1ccc(C[NH2+]C2CSC2)cc1[N+](=O)[O-] ZINC000877634673 706165946 /nfs/dbraw/zinc/16/59/46/706165946.db2.gz PQWZKZANDVBGSP-UHFFFAOYSA-N 1 0 312.347 1.352 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](CO)[C@H](CO)C1 ZINC000877764917 706202378 /nfs/dbraw/zinc/20/23/78/706202378.db2.gz SBUOMMVLNJSHLZ-BETUJISGSA-N 1 0 310.350 1.026 20 5 DDBDRO C[NH+](C)CCCS(=O)(=O)Oc1c(Cl)cccc1[N+](=O)[O-] ZINC000866963963 706857808 /nfs/dbraw/zinc/85/78/08/706857808.db2.gz XXIHHDDLABWEOX-UHFFFAOYSA-N 1 0 322.770 1.909 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@]2(c3ccccc3)C[C@@H](O)C2)c1 ZINC000880223147 706913653 /nfs/dbraw/zinc/91/36/53/706913653.db2.gz UUXVEQZKVZZUCW-GASCZTMLSA-N 1 0 302.334 1.431 20 5 DDBDRO C[C@@H]1c2sccc2CC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000880377833 706956897 /nfs/dbraw/zinc/95/68/97/706956897.db2.gz GMMNFRWPBVZAQK-MFKMUULPSA-N 1 0 322.390 1.833 20 5 DDBDRO COc1ccc(C[N@H+](CCO)CCn2ccc([N+](=O)[O-])n2)cc1 ZINC000880571122 707022138 /nfs/dbraw/zinc/02/21/38/707022138.db2.gz LWJSLLVCJNEOAG-UHFFFAOYSA-N 1 0 320.349 1.294 20 5 DDBDRO Cc1cc(C(=O)N[C@H]2C[NH2+]CCC2(F)F)c(N)c([N+](=O)[O-])c1 ZINC000834846358 707136861 /nfs/dbraw/zinc/13/68/61/707136861.db2.gz UDDGONCDNCWOPP-JTQLQIEISA-N 1 0 314.292 1.212 20 5 DDBDRO CC(C)(O)C[C@H](O)C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000871974135 707262283 /nfs/dbraw/zinc/26/22/83/707262283.db2.gz ZNKWKMQJVLGPOM-HNNXBMFYSA-N 1 0 323.393 1.239 20 5 DDBDRO C[C@H]1CN(C(=O)CCC(C)(C)[N+](=O)[O-])CCN1c1cc[nH+]cc1 ZINC000881631046 707310033 /nfs/dbraw/zinc/31/00/33/707310033.db2.gz QKRUASXNFBUORL-ZDUSSCGKSA-N 1 0 320.393 1.954 20 5 DDBDRO CC1([NH+]2CCC2)CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000882507918 707671927 /nfs/dbraw/zinc/67/19/27/707671927.db2.gz RIBWXLUOMJFEMB-UHFFFAOYSA-N 1 0 320.349 1.396 20 5 DDBDRO Cc1c(C[NH2+][C@H]2CCc3nnnn3CC2)cccc1[N+](=O)[O-] ZINC000873132562 707743809 /nfs/dbraw/zinc/74/38/09/707743809.db2.gz XORKMGXSFDCEOW-LBPRGKRZSA-N 1 0 302.338 1.384 20 5 DDBDRO COc1cc(NC[C@H]2CSCC[NH2+]2)c([N+](=O)[O-])cc1OC ZINC000882728756 707763810 /nfs/dbraw/zinc/76/38/10/707763810.db2.gz HJYDJEPBYMJMIF-VIFPVBQESA-N 1 0 313.379 1.729 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C2CCN(C3CC3)CC2)cc1 ZINC000838986836 708010713 /nfs/dbraw/zinc/01/07/13/708010713.db2.gz OKDBGXNQESYXNZ-INIZCTEOSA-N 1 0 305.378 1.845 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)c1C ZINC000884042569 708114759 /nfs/dbraw/zinc/11/47/59/708114759.db2.gz CAJYGVPBBCBDIO-AAEUAGOBSA-N 1 0 307.350 1.400 20 5 DDBDRO C[N@@H+]1C[C@@H]2CN(c3ccc([N+](=O)[O-])c4nonc43)C[C@]2(C)C1 ZINC000896914383 708181196 /nfs/dbraw/zinc/18/11/96/708181196.db2.gz CUIMOMJGLIZSOX-OTYXRUKQSA-N 1 0 303.322 1.519 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)c(F)c1 ZINC000897220526 708258866 /nfs/dbraw/zinc/25/88/66/708258866.db2.gz XCDXIFYUDIIXLQ-CABCVRRESA-N 1 0 309.341 1.769 20 5 DDBDRO C[C@H]1CN(c2cc[nH+]cc2)CCN1c1ncc([N+](=O)[O-])cn1 ZINC000884856039 708395933 /nfs/dbraw/zinc/39/59/33/708395933.db2.gz YLMSOCMOYUMWLY-NSHDSACASA-N 1 0 300.322 1.495 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@H]3C[C@@]34CCOC4)CC2)cn1 ZINC000885937555 708666669 /nfs/dbraw/zinc/66/66/69/708666669.db2.gz CFRICXNOFBXJQM-CZUORRHYSA-N 1 0 318.377 1.538 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2C[C@@H]3CSC[C@@H]3C2)c1 ZINC000886553843 708776811 /nfs/dbraw/zinc/77/68/11/708776811.db2.gz WQCPYQCMYSXJAN-MBNYWOFBSA-N 1 0 324.402 1.629 20 5 DDBDRO COC(=O)N[C@H]1CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000886848406 708862226 /nfs/dbraw/zinc/86/22/26/708862226.db2.gz BKGIWGZUDLOBPL-LBPRGKRZSA-N 1 0 323.349 1.794 20 5 DDBDRO CCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000886890551 708884540 /nfs/dbraw/zinc/88/45/40/708884540.db2.gz MCOXCJXUSGOGAG-LLVKDONJSA-N 1 0 313.379 1.276 20 5 DDBDRO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCC([NH+]2CCC2)CC1 ZINC000912873099 713112362 /nfs/dbraw/zinc/11/23/62/713112362.db2.gz IKWOZSPYQGVHJU-UHFFFAOYSA-N 1 0 322.340 1.626 20 5 DDBDRO COC[C@H]1C[NH2+]CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000900488419 709619633 /nfs/dbraw/zinc/61/96/33/709619633.db2.gz MKSILRIBMBGSTO-SNVBAGLBSA-N 1 0 312.301 1.186 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912907872 713120078 /nfs/dbraw/zinc/12/00/78/713120078.db2.gz JZNCNKNVXJOTMN-GFCCVEGCSA-N 1 0 319.361 1.914 20 5 DDBDRO O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912917903 713123931 /nfs/dbraw/zinc/12/39/31/713123931.db2.gz PRVLNLBXVBMFEQ-LBPRGKRZSA-N 1 0 314.345 1.996 20 5 DDBDRO CC[N@@H+]1CCCN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000910269080 709853374 /nfs/dbraw/zinc/85/33/74/709853374.db2.gz DSOGJLVYQBLFKU-SWLSCSKDSA-N 1 0 321.377 1.571 20 5 DDBDRO Cc1nn(C)c(C(=O)N(C)CC(C)(C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000890883404 710020449 /nfs/dbraw/zinc/02/04/49/710020449.db2.gz DIXCJLPSSCSCPC-UHFFFAOYSA-N 1 0 311.386 1.297 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1N1CC[NH+](CCc2ccccc2)CC1 ZINC000891622307 710250911 /nfs/dbraw/zinc/25/09/11/710250911.db2.gz GHJIOIAZMDIMDH-UHFFFAOYSA-N 1 0 315.377 1.693 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1NCc1ccccc1OCC[NH+](C)C ZINC000892129154 710377039 /nfs/dbraw/zinc/37/70/39/710377039.db2.gz RWXDTLYSAKBMHA-UHFFFAOYSA-N 1 0 319.365 1.881 20 5 DDBDRO C[NH+](C)C[C@](C)(O)CNc1c2cc(F)ccc2ncc1[N+](=O)[O-] ZINC000892955244 710531634 /nfs/dbraw/zinc/53/16/34/710531634.db2.gz HRCPUVHNZQYDDC-OAHLLOKOSA-N 1 0 322.340 1.429 20 5 DDBDRO COc1cc([C@@H](C)NC[C@]2(O)CC[N@H+](C)C2)cc([N+](=O)[O-])c1 ZINC000903154146 711049893 /nfs/dbraw/zinc/04/98/93/711049893.db2.gz TVNDCMKFHJZYMU-IAQYHMDHSA-N 1 0 309.366 1.321 20 5 DDBDRO COC(=O)[C@@H]1[C@@H](C[NH2+]CCc2ccccc2[N+](=O)[O-])C1(F)F ZINC000894299709 711058026 /nfs/dbraw/zinc/05/80/26/711058026.db2.gz PXAFRCKLHVQKOH-PWSUYJOCSA-N 1 0 314.288 1.781 20 5 DDBDRO COc1ccc(OCCN2C[C@H]([NH3+])C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000903556072 711192322 /nfs/dbraw/zinc/19/23/22/711192322.db2.gz MGMPTNJIQYCZSQ-AWEZNQCLSA-N 1 0 309.366 1.651 20 5 DDBDRO CN(CC[N@H+](C)CCO)c1ccc([N+](=O)[O-])cc1C(F)F ZINC000894590401 711198478 /nfs/dbraw/zinc/19/84/78/711198478.db2.gz GTFKMBSTZVFQNG-UHFFFAOYSA-N 1 0 303.309 1.893 20 5 DDBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CC([NH+]2CCCC2)C1 ZINC000912328215 711281317 /nfs/dbraw/zinc/28/13/17/711281317.db2.gz YYFLDPYQXSDHMF-YVMONPNESA-N 1 0 301.346 1.915 20 5 DDBDRO COc1ccc(OCCN2CC[C@H]3CC[C@]32C[NH3+])c([N+](=O)[O-])c1 ZINC000903855084 711303652 /nfs/dbraw/zinc/30/36/52/711303652.db2.gz LGTDNVWTMXXQGX-WBMJQRKESA-N 1 0 321.377 1.795 20 5 DDBDRO C[NH+](C)C[C@]1(O)CCN(c2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC000895009006 711364676 /nfs/dbraw/zinc/36/46/76/711364676.db2.gz MZOFEATYQGCGPN-OAHLLOKOSA-N 1 0 317.349 1.041 20 5 DDBDRO CC[N@H+]1[C@H](C)CN(c2ccc(C(=O)NC)cc2[N+](=O)[O-])C[C@@H]1C ZINC000895101150 711412295 /nfs/dbraw/zinc/41/22/95/711412295.db2.gz ZVBCHVDECQPBPL-TXEJJXNPSA-N 1 0 320.393 1.873 20 5 DDBDRO C[C@H](Nc1c(Cl)cncc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCN1C ZINC000895248268 711465189 /nfs/dbraw/zinc/46/51/89/711465189.db2.gz ZPOXDGLMTYDWIL-JOYOIKCWSA-N 1 0 313.789 1.111 20 5 DDBDRO Cc1cc(NCC[C@@H]2CNC(=O)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000896134151 711680469 /nfs/dbraw/zinc/68/04/69/711680469.db2.gz LGMDAKIISKOSFW-NSHDSACASA-N 1 0 314.345 1.811 20 5 DDBDRO C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1C[NH2+]CC[N+](=O)[O-] ZINC000905119848 711942162 /nfs/dbraw/zinc/94/21/62/711942162.db2.gz PCKJSVMTIDBJKK-WDEREUQCSA-N 1 0 317.386 1.613 20 5 DDBDRO CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H]([NH2+]CC[N+](=O)[O-])C[C@@H]2C1 ZINC000905287236 711993279 /nfs/dbraw/zinc/99/32/79/711993279.db2.gz ZWCVPJBCJITIDG-YNEHKIRRSA-N 1 0 313.398 1.888 20 5 DDBDRO C[C@@H]1[C@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCN1C ZINC000905541886 712071336 /nfs/dbraw/zinc/07/13/36/712071336.db2.gz RSCNPFHJVJSBJV-OSAQELSMSA-N 1 0 309.366 1.017 20 5 DDBDRO CC1(C)O[C@@H]2C[C@@H]([NH2+]C[C@H](O)c3cccc([N+](=O)[O-])c3)C[C@@H]2O1 ZINC000905609869 712094050 /nfs/dbraw/zinc/09/40/50/712094050.db2.gz SPDDYVKKHFPKTK-CYUUQNCZSA-N 1 0 322.361 1.900 20 5 DDBDRO C[C@@H]1C[NH2+]C[C@H]1Cn1cc([N+](=O)[O-])cc(Br)c1=O ZINC000905731041 712133872 /nfs/dbraw/zinc/13/38/72/712133872.db2.gz FUPLOFRZOFJKLC-SFYZADRCSA-N 1 0 316.155 1.375 20 5 DDBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CCN(C)C1 ZINC000906525844 712346895 /nfs/dbraw/zinc/34/68/95/712346895.db2.gz QBSISWZDSPWNJB-WCQYABFASA-N 1 0 306.366 1.606 20 5 DDBDRO CCOc1ccc(NC(=O)C[NH2+][C@H](CC)CO)c([N+](=O)[O-])c1 ZINC000916570827 713458428 /nfs/dbraw/zinc/45/84/28/713458428.db2.gz WUIIMEPUPINAIV-SNVBAGLBSA-N 1 0 311.338 1.293 20 5 DDBDRO C[C@@H]1[C@H](NC(=O)NCCc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000920599392 713682040 /nfs/dbraw/zinc/68/20/40/713682040.db2.gz TUYFZWKSOOISLL-DGCLKSJQSA-N 1 0 306.366 1.529 20 5 DDBDRO COCC(COC)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000929988947 713730060 /nfs/dbraw/zinc/73/00/60/713730060.db2.gz PAMZKIPXVYTZKU-LLVKDONJSA-N 1 0 310.354 1.137 20 5 DDBDRO Cn1nc2c(c1C[NH2+]CCc1ccc([N+](=O)[O-])cc1)COCC2 ZINC000921687195 713843304 /nfs/dbraw/zinc/84/33/04/713843304.db2.gz ZCGAVNUWSLNIBL-UHFFFAOYSA-N 1 0 316.361 1.733 20 5 DDBDRO C[C@H]1[C@H]([NH+](C)C)CCN1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000931046142 713989997 /nfs/dbraw/zinc/98/99/97/713989997.db2.gz HNMRHUFNWZRJOR-XHDPSFHLSA-N 1 0 321.377 1.986 20 5 DDBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931281775 714056293 /nfs/dbraw/zinc/05/62/93/714056293.db2.gz XUPQEJXYGACMQC-UUIJZJDISA-N 1 0 318.377 1.414 20 5 DDBDRO Cc1noc(CN2CCC([N@@H+]3CCCOCC3)CC2)c1[N+](=O)[O-] ZINC000931284942 714057751 /nfs/dbraw/zinc/05/77/51/714057751.db2.gz FDNIRADLYJMKSA-UHFFFAOYSA-N 1 0 324.381 1.578 20 5 DDBDRO C[C@@H]1CN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H](C)[NH2+]1 ZINC000923286791 714297868 /nfs/dbraw/zinc/29/78/68/714297868.db2.gz PCZABFKHFGRYKO-MBNYWOFBSA-N 1 0 309.366 1.017 20 5 DDBDRO CNc1ccc(C(=O)N2[C@@H]3CC[C@H]2C[N@H+](C)CC3)cc1[N+](=O)[O-] ZINC000923313157 714308124 /nfs/dbraw/zinc/30/81/24/714308124.db2.gz WIHVKXMCWFEQGX-OLZOCXBDSA-N 1 0 318.377 1.945 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000923361414 714327632 /nfs/dbraw/zinc/32/76/32/714327632.db2.gz RASRQCFTUJGZMY-GZBFAFLISA-N 1 0 321.377 1.018 20 5 DDBDRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000923370498 714331115 /nfs/dbraw/zinc/33/11/15/714331115.db2.gz PHLSTBNHCOKJCQ-ZNEHSRBWSA-N 1 0 323.393 1.311 20 5 DDBDRO C[C@@H]1COC[C@@H]1[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000932491714 714344998 /nfs/dbraw/zinc/34/49/98/714344998.db2.gz LUEUGPAFWVRCBT-RNCFNFMXSA-N 1 0 311.313 1.687 20 5 DDBDRO CC[C@H](c1cccc([N+](=O)[O-])c1)N1C(=O)N[C@@H](C[NH+](C)C)C1=O ZINC000924774252 714661350 /nfs/dbraw/zinc/66/13/50/714661350.db2.gz AVIPKOAPCMMIGM-QWHCGFSZSA-N 1 0 320.349 1.528 20 5 DDBDRO Cc1c(C[N@@H+]2C[C@@H]3CCC[C@]3(C(N)=O)C2)cccc1[N+](=O)[O-] ZINC000933758991 714665539 /nfs/dbraw/zinc/66/55/39/714665539.db2.gz HLPYRWMHIMPNER-BBRMVZONSA-N 1 0 303.362 1.991 20 5 DDBDRO Cn1cc(C[N@@H+]2CCCC[C@@H]([C@H]3CCOC3)C2)c([N+](=O)[O-])n1 ZINC000934832075 714912773 /nfs/dbraw/zinc/91/27/73/714912773.db2.gz NIFDRDMJQCTBSO-OLZOCXBDSA-N 1 0 308.382 1.967 20 5 DDBDRO C[NH+](C)CCOCCNC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000935260564 715014718 /nfs/dbraw/zinc/01/47/18/715014718.db2.gz RTTSDSFCGAXXCP-GJZGRUSLSA-N 1 0 321.377 1.393 20 5 DDBDRO [NH3+][C@@]12C[C@@H]1CN(C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1)C2 ZINC001164415568 718885942 /nfs/dbraw/zinc/88/59/42/718885942.db2.gz LATGSLZNEWFAQS-GMSGAONNSA-N 1 0 304.684 1.726 20 5 DDBDRO O=C(Cc1cccnc1)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001125701803 735343614 /nfs/dbraw/zinc/34/36/14/735343614.db2.gz WIJSFFUQFOTPDI-UHFFFAOYSA-N 1 0 314.345 1.438 20 5 DDBDRO [NH3+]Cc1cccn1-c1cc([N+](=O)[O-])cc(Br)[n+]1[O-] ZINC001167593051 734782767 /nfs/dbraw/zinc/78/27/67/734782767.db2.gz ISZINXSMOXEPQB-UHFFFAOYSA-N 1 0 313.111 1.240 20 5 DDBDRO O=C(N[C@@H]1[C@H]2CN(Cc3csc([N+](=O)[O-])c3)C[C@H]21)C1CC1 ZINC001025645518 736808301 /nfs/dbraw/zinc/80/83/01/736808301.db2.gz JFPZAAGZHAKJSB-PJXYFTJBSA-N 1 0 307.375 1.613 20 5 DDBDRO O=C(NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccc(F)cn1 ZINC001126066716 738222798 /nfs/dbraw/zinc/22/27/98/738222798.db2.gz OBASUBWNIIPWCX-UHFFFAOYSA-N 1 0 318.308 1.649 20 5 DDBDRO COC1(CC(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCC1 ZINC001126311614 739021876 /nfs/dbraw/zinc/02/18/76/739021876.db2.gz LUPRRATUMDGJMW-UHFFFAOYSA-N 1 0 321.377 1.760 20 5 DDBDRO COC(=O)[C@@H](CCC[NH3+])Nc1ncc(C(C)(C)C)cc1[N+](=O)[O-] ZINC001167895543 739197906 /nfs/dbraw/zinc/19/79/06/739197906.db2.gz IYUNBCIPBOJIGW-LLVKDONJSA-N 1 0 324.381 1.980 20 5 DDBDRO CC[N@H+](C)[C@@H]1CCN(C(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC001181840547 743361199 /nfs/dbraw/zinc/36/11/99/743361199.db2.gz TYWKWVDNYWLXLJ-CYBMUJFWSA-N 1 0 321.377 1.699 20 5 DDBDRO C[NH+](C)CCC(=O)NCC1(Nc2ccc([N+](=O)[O-])cn2)CC1 ZINC001110325483 743774070 /nfs/dbraw/zinc/77/40/70/743774070.db2.gz TXPXVFBTDBPRGH-UHFFFAOYSA-N 1 0 307.354 1.002 20 5 DDBDRO Cc1nn(C)c(C(=O)NCc2cc(N(C)C)cc[nH+]2)c1[N+](=O)[O-] ZINC001184273460 743997901 /nfs/dbraw/zinc/99/79/01/743997901.db2.gz SSVXJZJIIIXWQC-UHFFFAOYSA-N 1 0 318.337 1.028 20 5 DDBDRO CC(C)([NH2+]C[C@@H](O)C1(O)CCOCC1)c1ccccc1[N+](=O)[O-] ZINC001194683077 746437359 /nfs/dbraw/zinc/43/73/59/746437359.db2.gz JXYSGRBXMCMVTF-CQSZACIVSA-N 1 0 324.377 1.322 20 5 DDBDRO O=C(NCC1C[NH+](Cc2ccc(CF)cc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001031661728 747336733 /nfs/dbraw/zinc/33/67/33/747336733.db2.gz FZDJCIWWANGZPJ-HUUCEWRRSA-N 1 0 321.352 1.369 20 5 DDBDRO O=C(C[NH+]1CCCC1)NC/C=C/CNc1ccc([N+](=O)[O-])cn1 ZINC001107201539 749555686 /nfs/dbraw/zinc/55/56/86/749555686.db2.gz TVTNJZCZEXLFKC-OWOJBTEDSA-N 1 0 319.365 1.170 20 5 DDBDRO CCC(=O)NCC[NH+]1CCC(Nc2ccc([N+](=O)[O-])cn2)CC1 ZINC001111309550 750442870 /nfs/dbraw/zinc/44/28/70/750442870.db2.gz RUCZTFIGBUIVQH-UHFFFAOYSA-N 1 0 321.381 1.392 20 5 DDBDRO CC(=O)NCC[NH+]1CCC(Nc2ccc(C)cc2[N+](=O)[O-])CC1 ZINC001111309548 750443554 /nfs/dbraw/zinc/44/35/54/750443554.db2.gz ROQWLKZQOXSZJP-UHFFFAOYSA-N 1 0 320.393 1.916 20 5 DDBDRO O=C(NCC[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccc(F)cc1 ZINC001168978422 762146975 /nfs/dbraw/zinc/14/69/75/762146975.db2.gz SAYWCWJNCHOYMY-FZMZJTMJSA-N 1 0 309.341 1.591 20 5 DDBDRO COCCOc1ccc(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)cn1 ZINC001168984610 762152243 /nfs/dbraw/zinc/15/22/43/762152243.db2.gz PAQCKXFERDMNEX-GXTWGEPZSA-N 1 0 309.366 1.642 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2cnn(CC(F)(F)F)c2)C1 ZINC001168993630 762167202 /nfs/dbraw/zinc/16/72/02/762167202.db2.gz NUYLFCUSWVPIFU-MWLCHTKSSA-N 1 0 306.288 1.980 20 5 DDBDRO O=C(C1CCC1)N1CCC([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168996560 762168996 /nfs/dbraw/zinc/16/89/96/762168996.db2.gz WAFSIWGBVMGHIX-WFASDCNBSA-N 1 0 309.410 1.813 20 5 DDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CC2CCN(c3ccncn3)CC2)C1 ZINC001168997456 762170039 /nfs/dbraw/zinc/17/00/39/762170039.db2.gz ZMZYGLPZQYAQLC-LSDHHAIUSA-N 1 0 319.409 1.728 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@H]2CCCN(c3cnccn3)C2)C1 ZINC001168999058 762170591 /nfs/dbraw/zinc/17/05/91/762170591.db2.gz RMXCZZJJOMUQDY-MCIONIFRSA-N 1 0 305.382 1.480 20 5 DDBDRO CC(C)(C)OC(=O)NCC1C[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169011060 762178023 /nfs/dbraw/zinc/17/80/23/762178023.db2.gz HWPPIQYOBBMWGH-DGCLKSJQSA-N 1 0 313.398 1.888 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCOC[C@@](O)(C(F)(F)F)C2)C1 ZINC001169014418 762178914 /nfs/dbraw/zinc/17/89/14/762178914.db2.gz ZLZOUOGVAZSCLT-GMTAPVOTSA-N 1 0 312.288 1.057 20 5 DDBDRO CCOC[C@@H]1C[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)Cc2cnn(C)c21 ZINC001169018950 762199432 /nfs/dbraw/zinc/19/94/32/762199432.db2.gz FROZHUPOLHAYDY-SNPRPXQTSA-N 1 0 322.409 1.801 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCC(Oc3ncc(F)cn3)CC2)C1 ZINC001169054452 762209602 /nfs/dbraw/zinc/20/96/02/762209602.db2.gz LWTWRKVIJYYGLY-YPMHNXCESA-N 1 0 324.356 1.904 20 5 DDBDRO COc1ccnc(O[C@@H]2CC[N@@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C2)n1 ZINC001169057457 762210888 /nfs/dbraw/zinc/21/08/88/762210888.db2.gz VKUNMPJXBZNVAU-YNEHKIRRSA-N 1 0 322.365 1.384 20 5 DDBDRO COc1ccc(N2CC[NH+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)nc1 ZINC001169057473 762211229 /nfs/dbraw/zinc/21/12/29/762211229.db2.gz VUCAIDMSGOIVMH-KGLIPLIRSA-N 1 0 320.393 1.658 20 5 DDBDRO CCC[N@H+](C)CC(=O)N[C@H]1C[C@@H](Nc2ncccc2[N+](=O)[O-])C1 ZINC001097203290 756971810 /nfs/dbraw/zinc/97/18/10/756971810.db2.gz BJVVSZGWKOOAHD-TXEJJXNPSA-N 1 0 321.381 1.391 20 5 DDBDRO COc1ncc([N+](=O)[O-])c(-n2cc(CC[NH3+])c3ncccc32)n1 ZINC001169702906 762610991 /nfs/dbraw/zinc/61/09/91/762610991.db2.gz LOWARHGIJCOEDE-UHFFFAOYSA-N 1 0 314.305 1.234 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC([NH+]2CCC2)CC1 ZINC000824592330 759191627 /nfs/dbraw/zinc/19/16/27/759191627.db2.gz DGFNWDZSAHGHSI-UHFFFAOYSA-N 1 0 319.361 1.914 20 5 DDBDRO O=[N+]([O-])c1cc(F)cnc1N1CCO[C@@H](C[NH+]2CCCC2)C1 ZINC001158305880 767964405 /nfs/dbraw/zinc/96/44/05/767964405.db2.gz SXMDCWKSLZHYQG-LBPRGKRZSA-N 1 0 310.329 1.430 20 5 DDBDRO COCC(C)(C)C(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001131321609 767988172 /nfs/dbraw/zinc/98/81/72/767988172.db2.gz HQXOCAOXPIUBIT-UHFFFAOYSA-N 1 0 309.366 1.473 20 5 DDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CC[NH+](C/C=C/Cl)CC2 ZINC001050520309 763700038 /nfs/dbraw/zinc/70/00/38/763700038.db2.gz OQUVMQFTRBEJCU-IYODYBDTSA-N 1 0 313.785 1.329 20 5 DDBDRO C[C@@H](Nc1cc2cccnc2c([N+](=O)[O-])c1)[C@@H]1C[NH2+]CCO1 ZINC001170567286 768175773 /nfs/dbraw/zinc/17/57/73/768175773.db2.gz CQKWVISSWFGZTE-YGRLFVJLSA-N 1 0 302.334 1.932 20 5 DDBDRO COc1c(F)cc(-n2nnc3ccc(C[NH3+])cc32)cc1[N+](=O)[O-] ZINC001170023962 764107971 /nfs/dbraw/zinc/10/79/71/764107971.db2.gz JHIYWYIJMHDQJM-UHFFFAOYSA-N 1 0 317.280 1.935 20 5 DDBDRO COc1ccc(C[C@@H](C)n2cnc(CC[NH3+])n2)c([N+](=O)[O-])c1 ZINC001170296729 766226177 /nfs/dbraw/zinc/22/61/77/766226177.db2.gz HWVALTDIKGCMAC-SNVBAGLBSA-N 1 0 305.338 1.500 20 5 DDBDRO COc1ccc(C[C@H](C)[NH2+][C@@H]2CCN(C(C)=O)C2)c([N+](=O)[O-])c1 ZINC001170315483 766246099 /nfs/dbraw/zinc/24/60/99/766246099.db2.gz XURHNMRKOKEDKT-SMDDNHRTSA-N 1 0 321.377 1.745 20 5 DDBDRO COc1ccc(C[C@H](C)[N@@H+]2CC[C@@H](O)[C@@H](CO)C2)c([N+](=O)[O-])c1 ZINC001170334410 766256792 /nfs/dbraw/zinc/25/67/92/766256792.db2.gz DGUXSSZQEXHVRR-NORZTCDRSA-N 1 0 324.377 1.210 20 5 DDBDRO Cc1nc(C[NH2+]CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c(C)s1 ZINC001157767016 766565578 /nfs/dbraw/zinc/56/55/78/766565578.db2.gz DICHZFLLYRKRRL-ZYHUDNBSSA-N 1 0 312.395 1.021 20 5 DDBDRO [NH3+]CCOCCOCCNc1ccc2ncccc2c1[N+](=O)[O-] ZINC001170511578 767698293 /nfs/dbraw/zinc/69/82/93/767698293.db2.gz VWXBJYFQQMSKBG-UHFFFAOYSA-N 1 0 320.349 1.547 20 5 DDBDRO Cc1ncc(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)n1C ZINC001132889366 769291808 /nfs/dbraw/zinc/29/18/08/769291808.db2.gz BGYSXQBIPSZVAQ-UHFFFAOYSA-N 1 0 317.349 1.156 20 5 DDBDRO CCOC(=O)CN(CC[NH3+])c1cc2cc[nH]c2c([N+](=O)[O-])c1 ZINC001170994469 772042891 /nfs/dbraw/zinc/04/28/91/772042891.db2.gz RPSYBHIICGLFGG-UHFFFAOYSA-N 1 0 306.322 1.404 20 5 DDBDRO COc1ncc([N+](=O)[O-])c(-n2cc3ccc(C[NH3+])cc3n2)n1 ZINC001171320328 773357559 /nfs/dbraw/zinc/35/75/59/773357559.db2.gz IRVLAGPQNYPUMK-UHFFFAOYSA-N 1 0 300.278 1.191 20 5 DDBDRO CC[NH+](CC)CC(=O)NCCNc1ncc(C)cc1[N+](=O)[O-] ZINC001093646471 774946740 /nfs/dbraw/zinc/94/67/40/774946740.db2.gz BUIPEHARPWGVPQ-UHFFFAOYSA-N 1 0 309.370 1.168 20 5 DDBDRO Cc1cc(NCCNC(=O)C2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001093701161 775021447 /nfs/dbraw/zinc/02/14/47/775021447.db2.gz LWGWDDVYBYGALW-UHFFFAOYSA-N 1 0 320.393 1.773 20 5 DDBDRO CC(C)(C(=O)NCCNc1ncccc1[N+](=O)[O-])[NH+]1CCCC1 ZINC001094033320 775358312 /nfs/dbraw/zinc/35/83/12/775358312.db2.gz JVFSXBARIQGJLE-UHFFFAOYSA-N 1 0 321.381 1.392 20 5 DDBDRO C[N@@H+]1CC[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3N)CC[C@@H]21 ZINC001171815426 776482481 /nfs/dbraw/zinc/48/24/81/776482481.db2.gz VUEBVRQGQAEVSM-HZMBPMFUSA-N 1 0 304.350 1.343 20 5 DDBDRO CNC(=O)CC[NH2+][C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173192398 777036467 /nfs/dbraw/zinc/03/64/67/777036467.db2.gz PTYBGLUKQILWJW-VIFPVBQESA-N 1 0 313.329 1.399 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CC2OCCO2)c1F ZINC001173189314 777036707 /nfs/dbraw/zinc/03/67/07/777036707.db2.gz OJHYSZBXOZEFCL-SECBINFHSA-N 1 0 314.313 1.636 20 5 DDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCCN1CCOCC1 ZINC001173217335 777048806 /nfs/dbraw/zinc/04/88/06/777048806.db2.gz UCDLJEQEEZDSHN-AWEZNQCLSA-N 1 0 307.394 1.838 20 5 DDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1C[C@H](S(C)(=O)=O)C1 ZINC001173218947 777050733 /nfs/dbraw/zinc/05/07/33/777050733.db2.gz ULACPDBZSDKYTO-MPKXVKKWSA-N 1 0 312.391 1.691 20 5 DDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1CN(c2ncccn2)C1 ZINC001173220301 777052411 /nfs/dbraw/zinc/05/24/11/777052411.db2.gz XSLVXCAWQPHEQD-GFCCVEGCSA-N 1 0 313.361 1.794 20 5 DDBDRO O=C(NCCCCCC[NH2+]Cc1cccnc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001178458713 779059263 /nfs/dbraw/zinc/05/92/63/779059263.db2.gz UINBVUUTPAXSFW-HUUCEWRRSA-N 1 0 320.393 1.513 20 5 DDBDRO CCOCCC[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001178463239 779060874 /nfs/dbraw/zinc/06/08/74/779060874.db2.gz BMXMOYQHECARQQ-ZIAGYGMSSA-N 1 0 315.414 1.344 20 5 DDBDRO C[NH+](C)CCC(=O)NCC1(Nc2ccc([N+](=O)[O-])cn2)CCC1 ZINC001111903296 779548722 /nfs/dbraw/zinc/54/87/22/779548722.db2.gz QHZYZZZZPSWEJB-UHFFFAOYSA-N 1 0 321.381 1.392 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001118087475 781022252 /nfs/dbraw/zinc/02/22/52/781022252.db2.gz ABOKHWMVJZZAAQ-BYNQJWBRSA-N 1 0 308.334 1.244 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1[C@H]2CCC[NH2+][C@H]2C1(C)C ZINC001119304677 781399210 /nfs/dbraw/zinc/39/92/10/781399210.db2.gz RYJIFXHQDNICGI-IACUBPJLSA-N 1 0 318.377 1.805 20 5 DDBDRO C[N@H+](CCNC(=O)COC(C)(C)C)Cc1ccc([N+](=O)[O-])cc1 ZINC001267192138 837508494 /nfs/dbraw/zinc/50/84/94/837508494.db2.gz IJMBKLPUESDSEV-UHFFFAOYSA-N 1 0 323.393 1.958 20 5 DDBDRO CC[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC1CC2(CCC2)C1 ZINC001267241391 837588990 /nfs/dbraw/zinc/58/89/90/837588990.db2.gz WFEXPHYDZMRNIR-ZIAGYGMSSA-N 1 0 309.410 1.670 20 5 DDBDRO CC[C@]1(c2nc(Cc3ccc([N+](=O)[O-])cn3)no2)CC[NH2+]C1 ZINC001326513807 861420161 /nfs/dbraw/zinc/42/01/61/861420161.db2.gz WZNAQRREDCHOPE-AWEZNQCLSA-N 1 0 303.322 1.605 20 5 DDBDRO C[C@@H](CN1CC[NH2+]CC1)Nc1nccc2ccc([N+](=O)[O-])cc21 ZINC001154752078 861426641 /nfs/dbraw/zinc/42/66/41/861426641.db2.gz MUQKZODHIBVBJZ-LBPRGKRZSA-N 1 0 315.377 1.849 20 5 DDBDRO [NH3+]Cc1cn(C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)cn1 ZINC001154906851 861559414 /nfs/dbraw/zinc/55/94/14/861559414.db2.gz PLWUYSPHWPKSFC-UHFFFAOYSA-N 1 0 303.656 1.896 20 5 DDBDRO [NH3+]Cc1cn(-c2nc(C(F)(F)F)nc(Cl)c2[N+](=O)[O-])cn1 ZINC001154910386 861564680 /nfs/dbraw/zinc/56/46/80/861564680.db2.gz IDXZCHDQLGHEIE-UHFFFAOYSA-N 1 0 322.634 1.701 20 5 DDBDRO O=C(NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccon1 ZINC001155143702 861769684 /nfs/dbraw/zinc/76/96/84/861769684.db2.gz OYPKUTRHRIJUAL-UHFFFAOYSA-N 1 0 304.306 1.493 20 5 DDBDRO CCOc1nc(N[C@H](C(=O)OC)C(C)(C)[NH3+])ccc1[N+](=O)[O-] ZINC001155368822 862002284 /nfs/dbraw/zinc/00/22/84/862002284.db2.gz ODAPIBCYZVALIX-SNVBAGLBSA-N 1 0 312.326 1.079 20 5 DDBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001293855050 849612955 /nfs/dbraw/zinc/61/29/55/849612955.db2.gz LHQXWTIHCFXOFB-SFYZADRCSA-N 1 0 315.761 1.384 20 5 DDBDRO O=[N+]([O-])c1c(Cl)ccnc1NCC[C@H]1CCOC12C[NH2+]C2 ZINC001155472005 862127889 /nfs/dbraw/zinc/12/78/89/862127889.db2.gz WPNIYUNALSNZIA-VIFPVBQESA-N 1 0 312.757 1.824 20 5 DDBDRO COc1nc(C)c([N+](=O)[O-])c(NCC[C@@H]2CCC[N@H+](C)C2)n1 ZINC001156379244 862989247 /nfs/dbraw/zinc/98/92/47/862989247.db2.gz RJLOIPHKNPNBSP-NSHDSACASA-N 1 0 309.370 1.846 20 5 DDBDRO CC1(NC(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC001121938402 858639554 /nfs/dbraw/zinc/63/95/54/858639554.db2.gz VBCFDLQUHIIQNE-KGLIPLIRSA-N 1 0 303.362 1.957 20 5 DDBDRO C[C@@H]1C[NH2+][C@@H](C)[C@H](C)N1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC001122179335 858704867 /nfs/dbraw/zinc/70/48/67/858704867.db2.gz DAABOGCNVQUXJI-WOPDTQHZSA-N 1 0 307.350 1.571 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@]23CCC[C@H]2[NH2+]CC3)c1 ZINC001122282415 858737992 /nfs/dbraw/zinc/73/79/92/858737992.db2.gz YNGPEBZPKCIVKZ-GDBMZVCRSA-N 1 0 319.361 1.865 20 5 DDBDRO COC[C@@H]1C[NH2+]CCN1C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC001122332308 858758828 /nfs/dbraw/zinc/75/88/28/858758828.db2.gz PXJVYQUTNFYPMR-JTQLQIEISA-N 1 0 313.741 1.309 20 5 DDBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N[C@]12CCC[C@H]1C[NH2+]C2 ZINC001122350239 858772445 /nfs/dbraw/zinc/77/24/45/858772445.db2.gz SRRJAZZTIFWOLG-DLOCJZORSA-N 1 0 301.346 1.866 20 5 DDBDRO O=C(CCn1cccn1)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001123712095 859374818 /nfs/dbraw/zinc/37/48/18/859374818.db2.gz BTHZTAVYXBKJSS-UHFFFAOYSA-N 1 0 317.349 1.087 20 5 DDBDRO Cc1nc(C)c(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)o1 ZINC001125209602 859920637 /nfs/dbraw/zinc/92/06/37/859920637.db2.gz WEPBPDFWUNKALU-UHFFFAOYSA-N 1 0 318.333 1.719 20 5 DDBDRO [NH3+]CCc1nccn1-c1nc(Cl)nc(Cl)c1[N+](=O)[O-] ZINC001156477939 863084534 /nfs/dbraw/zinc/08/45/34/863084534.db2.gz UZPOUKWHENMYAA-UHFFFAOYSA-N 1 0 303.109 1.379 20 5 DDBDRO O=c1c([N+](=O)[O-])cc(Br)cn1C[C@H]1CCC[NH2+]C1 ZINC001329271553 863571821 /nfs/dbraw/zinc/57/18/21/863571821.db2.gz AQTZXPIXASJANQ-QMMMGPOBSA-N 1 0 316.155 1.519 20 5 DDBDRO O=[N+]([O-])c1ccc2nc(Cl)nc(N3C[C@@H]4C[NH2+][C@@H]4C3)c2c1 ZINC001157619698 863981272 /nfs/dbraw/zinc/98/12/72/863981272.db2.gz GQZJUEYFKZWVQV-WRWORJQWSA-N 1 0 305.725 1.599 20 5 DDBDRO CCC[N@H+]1C[C@H]2CN(c3ncc([N+](=O)[O-])c(OC)n3)C[C@H]2C1 ZINC001157689355 864047942 /nfs/dbraw/zinc/04/79/42/864047942.db2.gz MRQKFFOHOYPRJR-PHIMTYICSA-N 1 0 307.354 1.171 20 5 DDBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N2CC[C@](F)(C[NH3+])C2)n1 ZINC001157809027 864159740 /nfs/dbraw/zinc/15/97/40/864159740.db2.gz MXVSIHFDZUILHD-JTQLQIEISA-N 1 0 321.765 1.637 20 5 DDBDRO CN1CCN(C(=[NH2+])Nc2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC001157915947 864257013 /nfs/dbraw/zinc/25/70/13/864257013.db2.gz HTQNRPIRLGIDIH-UHFFFAOYSA-N 1 0 314.349 1.737 20 5 DDBDRO CN(C)/C=C/c1cc(N2CC[N@@H+]3CC[C@H]3C2)ncc1[N+](=O)[O-] ZINC001158432319 864652811 /nfs/dbraw/zinc/65/28/11/864652811.db2.gz JMNFRUIWKJPLIC-LQPUYASZSA-N 1 0 303.366 1.416 20 5 DDBDRO [NH3+][C@@H]1CN(c2ccc3ccc4cccnc4c3n2)CC12COC2 ZINC001158763021 864885277 /nfs/dbraw/zinc/88/52/77/864885277.db2.gz CMKAYHADBISZTK-CQSZACIVSA-N 1 0 306.369 1.947 20 5 DDBDRO C[C@](O)(C[C@H](O)CN1Cc2ccc([N+](=O)[O-])cc2C1)C1CC1 ZINC001331756874 865299701 /nfs/dbraw/zinc/29/97/01/865299701.db2.gz CEEXVAWXQWBVPF-HOTGVXAUSA-N 1 0 306.362 1.822 20 5 DDBDRO C[C@@H](Nc1nc2ccccc2cc1[N+](=O)[O-])[C@@H]1C[NH2+]CCO1 ZINC001159499875 865358859 /nfs/dbraw/zinc/35/88/59/865358859.db2.gz QGTGUXDLZPHOTC-YGRLFVJLSA-N 1 0 302.334 1.932 20 5 DDBDRO O=[N+]([O-])c1ccc2nc(Cl)nc(N[C@@H]3C[NH2+]C[C@@H]3CO)c2c1 ZINC001159672109 865459448 /nfs/dbraw/zinc/45/94/48/865459448.db2.gz MSDCRNXBPIZAMG-RDDDGLTNSA-N 1 0 323.740 1.184 20 5 DDBDRO O=[N+]([O-])c1ccc2nc(Cl)cc(N[C@@H]3C[NH2+]C[C@@H]3CO)c2c1 ZINC001159683322 865469537 /nfs/dbraw/zinc/46/95/37/865469537.db2.gz VCHGQQBBTUSGIU-AMIZOPFISA-N 1 0 322.752 1.789 20 5 DDBDRO C[NH2+][C@H](C)CCNS(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC001332325816 865761413 /nfs/dbraw/zinc/76/14/13/865761413.db2.gz SRQCRLQYUGJTJZ-SNVBAGLBSA-N 1 0 315.395 1.488 20 5 DDBDRO COc1cnc(N[C@H]2CC[NH2+]C[C@@H]2C(F)(F)F)c([N+](=O)[O-])c1 ZINC001160743757 866091958 /nfs/dbraw/zinc/09/19/58/866091958.db2.gz YBXXXIWUMBSQRZ-IUCAKERBSA-N 1 0 320.271 1.951 20 5 DDBDRO COc1ccnc(NCCCN2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC001161700904 866907170 /nfs/dbraw/zinc/90/71/70/866907170.db2.gz VVRCIDWRSJFAEN-UHFFFAOYSA-N 1 0 309.370 1.048 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(NCCN2CCC([NH3+])CC2)nc1Cl ZINC001161867830 867046390 /nfs/dbraw/zinc/04/63/90/867046390.db2.gz QJMPGUOXJUFCRD-UHFFFAOYSA-N 1 0 313.789 1.787 20 5 DDBDRO [NH3+]C1CCN(CCNc2ccc3c(cccc3[N+](=O)[O-])n2)CC1 ZINC001161867994 867046438 /nfs/dbraw/zinc/04/64/38/867046438.db2.gz ZQJMDDCPEALRFG-UHFFFAOYSA-N 1 0 315.377 1.978 20 5 DDBDRO COCCC1([NH3+])CCN(c2cc([N+](=O)[O-])cc(Cl)n2)CC1 ZINC001162041213 867212624 /nfs/dbraw/zinc/21/26/24/867212624.db2.gz DUMCAHYSROJUNV-UHFFFAOYSA-N 1 0 314.773 1.977 20 5 DDBDRO [NH3+]Cc1nc2cnccc2n1-c1cnc2ccc([N+](=O)[O-])cc2n1 ZINC001162214120 867343720 /nfs/dbraw/zinc/34/37/20/867343720.db2.gz DJKWOCORRUUWFN-UHFFFAOYSA-N 1 0 321.300 1.731 20 5 DDBDRO COc1ncnc(NC[C@]2(CC3CC3)CCC[NH2+]2)c1[N+](=O)[O-] ZINC001162350339 867482631 /nfs/dbraw/zinc/48/26/31/867482631.db2.gz CQDAGUZYSJBRMJ-CQSZACIVSA-N 1 0 307.354 1.728 20 5 DDBDRO COCC1(C(=O)NCCC[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001162515704 867605138 /nfs/dbraw/zinc/60/51/38/867605138.db2.gz XGDSLVQSRSRNHB-UHFFFAOYSA-N 1 0 321.377 1.617 20 5 DDBDRO CCOC1(OCC)CC[NH2+]C[C@H]1Nc1ncccc1[N+](=O)[O-] ZINC001162729117 867775933 /nfs/dbraw/zinc/77/59/33/867775933.db2.gz LEVKYBGMIQJUAN-GFCCVEGCSA-N 1 0 310.354 1.533 20 5 DDBDRO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC001325115194 867783874 /nfs/dbraw/zinc/78/38/74/867783874.db2.gz XGVSHYQASCROMJ-ZYHUDNBSSA-N 1 0 307.354 1.406 20 5 DDBDRO CC(C)Oc1nc(N[C@@H]2C=C[C@@H]3C[NH2+]C[C@@H]23)ccc1[N+](=O)[O-] ZINC001162803935 867836855 /nfs/dbraw/zinc/83/68/55/867836855.db2.gz XVGPXXKKDRCJNS-IJLUTSLNSA-N 1 0 304.350 1.963 20 5 DDBDRO CCOc1cnc(N[C@H](C(=O)OC)C(C)(C)[NH3+])c([N+](=O)[O-])c1 ZINC001162942463 867928983 /nfs/dbraw/zinc/92/89/83/867928983.db2.gz MXFLCSNLHOWCSY-SNVBAGLBSA-N 1 0 312.326 1.079 20 5 DDBDRO O=[N+]([O-])c1c2nsnc2ccc1N[C@@H]1COCCC12C[NH2+]C2 ZINC001163078457 868061115 /nfs/dbraw/zinc/06/11/15/868061115.db2.gz BJWGBXMQPHJFTM-SNVBAGLBSA-N 1 0 321.362 1.390 20 5 DDBDRO CC(C)(C)[NH2+]CC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC001322241940 868073412 /nfs/dbraw/zinc/07/34/12/868073412.db2.gz OSZICIDGGLESNT-UHFFFAOYSA-N 1 0 309.370 1.343 20 5 DDBDRO O=[N+]([O-])c1ccnc(Cl)c1NC[C@@H]1OC[C@H]2C[NH2+]CC[C@H]21 ZINC001163164492 868177789 /nfs/dbraw/zinc/17/77/89/868177789.db2.gz VWUQXJZCBHEXAY-KKZNHRDASA-N 1 0 312.757 1.680 20 5 DDBDRO CCOC(=O)c1cccc([N+](=O)[O-])c1NC[C@@]12C[NH2+][C@@H](CO1)C2 ZINC001163202715 868211467 /nfs/dbraw/zinc/21/14/67/868211467.db2.gz LBHTVALTUIULNG-MEBBXXQBSA-N 1 0 321.333 1.314 20 5 DDBDRO Cc1cncc([N+](=O)[O-])c1N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC001322752709 868363463 /nfs/dbraw/zinc/36/34/63/868363463.db2.gz MPAZNEDSTWUGOB-GFCCVEGCSA-N 1 0 308.382 1.580 20 5 DDBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001335565328 868387473 /nfs/dbraw/zinc/38/74/73/868387473.db2.gz HYCRISVRUHFJHN-KBPBESRZSA-N 1 0 306.366 1.334 20 5 DDBDRO C[C@@H](CNC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1ccccc1[N+](=O)[O-] ZINC001335703503 868486018 /nfs/dbraw/zinc/48/60/18/868486018.db2.gz KXNZJIFWGLFRIH-UZGDPCLZSA-N 1 0 318.377 1.890 20 5 DDBDRO C[C@@H](CNC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1[N+](=O)[O-] ZINC001335703482 868486385 /nfs/dbraw/zinc/48/63/85/868486385.db2.gz KKGKUDRIYVVKFV-RWMBFGLXSA-N 1 0 318.377 1.844 20 5 DDBDRO CN1CCCC[C@H]1C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC001335917067 868616443 /nfs/dbraw/zinc/61/64/43/868616443.db2.gz KIVLEYATHZOFPF-UONOGXRCSA-N 1 0 323.393 1.408 20 5 DDBDRO Cc1ccc([C@@H](C)NC(=O)N[C@@H]2C[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC001336060064 868706192 /nfs/dbraw/zinc/70/61/92/868706192.db2.gz JRMICFKOGQKJGI-NQBHXWOUSA-N 1 0 306.366 1.871 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@@H](C[NH3+])CC[C@@H]1C ZINC001164460689 869208535 /nfs/dbraw/zinc/20/85/35/869208535.db2.gz FTVRYHQAXTYFFU-VHSXEESVSA-N 1 0 308.338 1.340 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@@H](C[NH3+])CC[C@@H]2C)n1 ZINC001164473492 869219648 /nfs/dbraw/zinc/21/96/48/869219648.db2.gz GRZQFNKBYCGXNX-VHSXEESVSA-N 1 0 308.338 1.340 20 5 DDBDRO CC[NH+]1CCC(N(C)c2ncc(C(=O)OC)cc2[N+](=O)[O-])CC1 ZINC001165068189 869360865 /nfs/dbraw/zinc/36/08/65/869360865.db2.gz NHXWTLGGFDDFPZ-UHFFFAOYSA-N 1 0 322.365 1.697 20 5 DDBDRO CN(C)/C=C/c1cc(N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001165147388 869407826 /nfs/dbraw/zinc/40/78/26/869407826.db2.gz FKAQKHXNOFFWIL-TWRSITDPSA-N 1 0 317.393 1.520 20 5 DDBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@H]2C[NH+](C)C[C@@H]2C1 ZINC001165151422 869410753 /nfs/dbraw/zinc/41/07/53/869410753.db2.gz QREOMDMSXVFIGE-GHMZBOCLSA-N 1 0 320.349 1.164 20 5 DDBDRO CCOC(=O)c1ccnc(N2CCC[C@H]3[NH2+]C[C@@H]32)c1[N+](=O)[O-] ZINC001165393124 869563450 /nfs/dbraw/zinc/56/34/50/869563450.db2.gz FDOCSYLLKYEZID-MNOVXSKESA-N 1 0 306.322 1.107 20 5 DDBDRO O=[N+]([O-])c1ccc2ncc(N3CCC(C4C[NH2+]C4)CC3)nc2c1 ZINC001165408820 869574852 /nfs/dbraw/zinc/57/48/52/869574852.db2.gz HUTMWJLVGBWXAF-UHFFFAOYSA-N 1 0 313.361 1.974 20 5 DDBDRO COc1cnc(N2C[C@@H](CF)[C@H](C3([NH3+])CC3)C2)c([N+](=O)[O-])c1 ZINC001165432098 869595284 /nfs/dbraw/zinc/59/52/84/869595284.db2.gz SVMFNBRBYGIITH-MWLCHTKSSA-N 1 0 310.329 1.512 20 5 DDBDRO C[C@H](c1nnc(N2CCC[C@H]([NH+]3CCCC3)C2)n1C)[N+](=O)[O-] ZINC001338059374 869773334 /nfs/dbraw/zinc/77/33/34/869773334.db2.gz ZCSWWNGQAGVZIG-NEPJUHHUSA-N 1 0 308.386 1.217 20 5 DDBDRO C[C@@H]1[C@@H](C)CCCN1c1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001166612053 870096719 /nfs/dbraw/zinc/09/67/19/870096719.db2.gz UXJKFXAYXYTPCM-NWDGAFQWSA-N 1 0 320.397 1.419 20 5 DDBDRO N=c1nc([C@@H]2CCC[NH2+]2)ccn1-c1cc(Cl)cc([N+](=O)[O-])n1 ZINC001166700764 870168143 /nfs/dbraw/zinc/16/81/43/870168143.db2.gz MKHDNWHTDFFFNM-VIFPVBQESA-N 1 0 320.740 1.733 20 5 DDBDRO COc1cc(C)nc(N2CC[C@H]([NH3+])C(F)(F)C2)c1[N+](=O)[O-] ZINC001166962167 870424481 /nfs/dbraw/zinc/42/44/81/870424481.db2.gz TVXNPESQXGFHBL-VIFPVBQESA-N 1 0 302.281 1.480 20 5 DDBDRO CC(C)Oc1nc(N2CC[C@@H]([NH3+])C(F)(F)C2)ccc1[N+](=O)[O-] ZINC001166960706 870425287 /nfs/dbraw/zinc/42/52/87/870425287.db2.gz KVNRZEGSEUPJEA-SNVBAGLBSA-N 1 0 316.308 1.950 20 5 DDBDRO CCC[NH+]1CCC(N(C)c2nnc([C@@H](C)[N+](=O)[O-])n2CC)CC1 ZINC001339340792 870452503 /nfs/dbraw/zinc/45/25/03/870452503.db2.gz PJBYJRPGRAFCPZ-GFCCVEGCSA-N 1 0 324.429 1.946 20 5 DDBDRO COC(=O)c1cc(OC)c(O[C@@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC001226430611 882427334 /nfs/dbraw/zinc/42/73/34/882427334.db2.gz IQVDAUVWJBFLDE-VIFPVBQESA-N 1 0 312.322 1.719 20 5 DDBDRO Cc1nc2cc(OC(=O)C[C@@H](O)C[N+](C)(C)C)ccc2s1 ZINC001226471866 882454449 /nfs/dbraw/zinc/45/44/49/882454449.db2.gz SFYRBUQAGSHONQ-LLVKDONJSA-N 1 0 309.411 1.967 20 5 DDBDRO COCC[NH2+]CCNC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001340260496 870994710 /nfs/dbraw/zinc/99/47/10/870994710.db2.gz AJTKJZSINILHLO-KGLIPLIRSA-N 1 0 307.350 1.051 20 5 DDBDRO Cc1cc(C(=O)N(C)CC[NH2+]Cc2cccc([N+](=O)[O-])c2)no1 ZINC001317565570 871091595 /nfs/dbraw/zinc/09/15/95/871091595.db2.gz HKFUKLGFGLAPRL-UHFFFAOYSA-N 1 0 318.333 1.753 20 5 DDBDRO CC1(C)CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1[NH3+] ZINC001340978926 871450689 /nfs/dbraw/zinc/45/06/89/871450689.db2.gz USIPDGSPOUEGRB-LBPRGKRZSA-N 1 0 311.769 1.986 20 5 DDBDRO O=C(Cc1ccccc1[N+](=O)[O-])N1CCC(OC2C[NH2+]C2)CC1 ZINC001341807248 871835127 /nfs/dbraw/zinc/83/51/27/871835127.db2.gz GIURTZZKPTUMMS-UHFFFAOYSA-N 1 0 319.361 1.117 20 5 DDBDRO C[C@@H]1[C@H](C)[NH2+]C[C@H](C)N1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC001342628970 872304684 /nfs/dbraw/zinc/30/46/84/872304684.db2.gz JSZGOFKLQHOTDD-RWMBFGLXSA-N 1 0 321.377 1.961 20 5 DDBDRO O=C(CCOc1ccccc1[N+](=O)[O-])NC[C@H]1CCC[NH2+]CC1 ZINC001342858663 872414820 /nfs/dbraw/zinc/41/48/20/872414820.db2.gz OUNOOABUQTWLJP-ZDUSSCGKSA-N 1 0 321.377 1.870 20 5 DDBDRO C[NH2+]C[C@H](O)[C@@H](C)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC001343188394 872530142 /nfs/dbraw/zinc/53/01/42/872530142.db2.gz PYMCTCNQFWSMDO-DOMZBBRYSA-N 1 0 323.393 1.548 20 5 DDBDRO O=C(N1CCC(n2ccc([N+](=O)[O-])n2)CC1)C12CCC(CC1)[NH2+]2 ZINC001343594088 872683081 /nfs/dbraw/zinc/68/30/81/872683081.db2.gz PSGGAQRRUXXYNS-UHFFFAOYSA-N 1 0 319.365 1.239 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]2C1 ZINC001345236534 873318465 /nfs/dbraw/zinc/31/84/65/873318465.db2.gz UKLDJLRDLIWJHT-FRRDWIJNSA-N 1 0 320.393 1.736 20 5 DDBDRO C[C@@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)[C@@H]1C[N@H+](C)CCN1C ZINC001345719709 873487649 /nfs/dbraw/zinc/48/76/49/873487649.db2.gz PHZLXQIRIZAJEB-RISCZKNCSA-N 1 0 321.381 1.351 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(O[C@@H]2C[NH+]3CCC2CC3)c1 ZINC001227043272 882792199 /nfs/dbraw/zinc/79/21/99/882792199.db2.gz CIGLQKDGYWYJOO-CQSZACIVSA-N 1 0 306.318 1.854 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)O[C@@H](C)CC[NH+]1CCCC1 ZINC001350301944 875620849 /nfs/dbraw/zinc/62/08/49/875620849.db2.gz TVZRJXXZEVJMJW-NSHDSACASA-N 1 0 310.354 1.517 20 5 DDBDRO C[C@@H](C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)NCC(F)F ZINC001353352406 877273048 /nfs/dbraw/zinc/27/30/48/877273048.db2.gz FKZFAVYIAORTEV-JOYOIKCWSA-N 1 0 303.309 1.461 20 5 DDBDRO Cc1noc2nc(O[C@H](C[N+](=O)[O-])C3CC3)c3c(c12)CC[NH2+]C3 ZINC001218327598 877454399 /nfs/dbraw/zinc/45/43/99/877454399.db2.gz CANAHVIANWGRKM-GFCCVEGCSA-N 1 0 318.333 1.611 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)C1(C[NH3+])CCOCC1 ZINC001355352179 878517429 /nfs/dbraw/zinc/51/74/29/878517429.db2.gz VBBUXACLCFPPND-UHFFFAOYSA-N 1 0 307.350 1.483 20 5 DDBDRO C[N@@H+]1C[C@@H]2CN(C(=O)NCc3ccc([N+](=O)[O-])cc3)C[C@]2(C)C1 ZINC001357161632 879826177 /nfs/dbraw/zinc/82/61/77/879826177.db2.gz WGMSNWKQXLMUER-CJNGLKHVSA-N 1 0 318.377 1.688 20 5 DDBDRO CC1(C)C[NH2+]C[C@@H]1NC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC001358403915 880422505 /nfs/dbraw/zinc/42/25/05/880422505.db2.gz CJOVUJTZKJQLOM-AWEZNQCLSA-N 1 0 320.393 1.901 20 5 DDBDRO CCOC(=O)c1ccc(CO[C@@H]2CC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC001223963838 881165210 /nfs/dbraw/zinc/16/52/10/881165210.db2.gz RFBXIBAZEWJWCG-CYBMUJFWSA-N 1 0 308.334 1.992 20 5 DDBDRO Cc1cc2[nH]c(OC[C@@H]3CN(C)CCO3)nc2cc1[N+](=O)[O-] ZINC001228673249 883610474 /nfs/dbraw/zinc/61/04/74/883610474.db2.gz DIRUELFMYQSBGP-JTQLQIEISA-N 1 0 306.322 1.489 20 5 DDBDRO COc1c(C(=O)N2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)cccc1[N+](=O)[O-] ZINC001289376641 913190321 /nfs/dbraw/zinc/19/03/21/913190321.db2.gz HDBPGZONABZLEY-BZNIZROVSA-N 1 0 319.361 1.627 20 5 DDBDRO CCOC(=O)C1=C(N[C@H](C)Cc2ccc([N+](=O)[O-])cc2)C[NH2+]C1 ZINC001246352055 892559528 /nfs/dbraw/zinc/55/95/28/892559528.db2.gz RWRSJYQGQTYHBN-LLVKDONJSA-N 1 0 319.361 1.536 20 5 DDBDRO COc1ccc(C[C@H](C)N[C@@H]2C[NH2+]CC[C@@H]2F)c([N+](=O)[O-])c1 ZINC001246484247 892650050 /nfs/dbraw/zinc/65/00/50/892650050.db2.gz WGXGAKGSDZTTHE-LEWSCRJBSA-N 1 0 311.357 1.824 20 5 DDBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc(CC[C@H]2CCC[NH2+]2)n1 ZINC001247807808 893381569 /nfs/dbraw/zinc/38/15/69/893381569.db2.gz BXJDZGLXTHTYLU-SECBINFHSA-N 1 0 307.285 1.864 20 5 DDBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc(CO[C@H]2CC[NH2+]C2)n1 ZINC001249272283 893910810 /nfs/dbraw/zinc/91/08/10/893910810.db2.gz VOEAKRNSYGTVOM-QMMMGPOBSA-N 1 0 309.257 1.057 20 5 DDBDRO O=C1C[C@H](C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CN1 ZINC001254466596 896454407 /nfs/dbraw/zinc/45/44/07/896454407.db2.gz GVUIDOIQVLZRIC-GFCCVEGCSA-N 1 0 318.377 1.289 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@](C)(CO)[C@@H](O)C1 ZINC001254553295 896497984 /nfs/dbraw/zinc/49/79/84/896497984.db2.gz UQIKMOKMRJMVPR-KCXAZCMYSA-N 1 0 308.378 1.591 20 5 DDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+](C[C@@H](O)CO)C(C)(C)C ZINC001254551801 896499555 /nfs/dbraw/zinc/49/95/55/896499555.db2.gz FWGSCZNGZWYPEW-GXTWGEPZSA-N 1 0 310.394 1.980 20 5 DDBDRO COC(=O)C12CC([NH2+][C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)(C1)C2 ZINC001254571764 896509250 /nfs/dbraw/zinc/50/92/50/896509250.db2.gz BOLBBSBWSUVNEU-UWTIGNOOSA-N 1 0 302.330 1.747 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]CC1(N3CCCC3)COC1)C2 ZINC001254576778 896511185 /nfs/dbraw/zinc/51/11/85/896511185.db2.gz YZIALKQFVCDQIK-OAHLLOKOSA-N 1 0 317.389 1.516 20 5 DDBDRO N=c1sc2c(n1[C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)CC[NH2+]C2 ZINC001254603731 896528612 /nfs/dbraw/zinc/52/86/12/896528612.db2.gz QKWWRSGUTRPRRW-GFCCVEGCSA-N 1 0 316.386 1.923 20 5 DDBDRO C[C@H]1CN(c2ncnc3c(Cl)cc([N+](=O)[O-])cc32)CC[NH2+]1 ZINC001261896018 899812482 /nfs/dbraw/zinc/81/24/82/899812482.db2.gz VFPUYGPOPHYTMF-QMMMGPOBSA-N 1 0 307.741 1.990 20 5 DDBDRO Cc1nn(C)c(C(=O)N2CCCC[C@]3(CC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC001262050225 899913583 /nfs/dbraw/zinc/91/35/83/899913583.db2.gz WAUARJHVQUWUMX-OAHLLOKOSA-N 1 0 321.381 1.243 20 5 DDBDRO C[NH2+]C[C@H](O)[C@H](C)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001263111105 900504075 /nfs/dbraw/zinc/50/40/75/900504075.db2.gz RTUHXIMZUIZUDK-NHYWBVRUSA-N 1 0 321.377 1.302 20 5 DDBDRO COCCC(=O)NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCC1 ZINC001280464182 903706837 /nfs/dbraw/zinc/70/68/37/903706837.db2.gz OJUSDRYAGHNRSL-UHFFFAOYSA-N 1 0 321.377 1.760 20 5 DDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)c1cc([C@@H]2CC[NH2+]C2)[nH]n1 ZINC000278651688 214302040 /nfs/dbraw/zinc/30/20/40/214302040.db2.gz ANRFZGROMUGRPG-SECBINFHSA-N 1 0 301.306 1.647 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000451334529 231070776 /nfs/dbraw/zinc/07/07/76/231070776.db2.gz BVFUGYKBVKEADN-BZPMIXESSA-N 1 0 308.382 1.844 20 5 DDBDRO CC(C)[N@H+](C)CC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278237667 214039946 /nfs/dbraw/zinc/03/99/46/214039946.db2.gz VWOGVDKSTFRYDM-UHFFFAOYSA-N 1 0 305.338 1.428 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H]2CCC[C@@H]2CCO)c1 ZINC000279272339 214753221 /nfs/dbraw/zinc/75/32/21/214753221.db2.gz NNGDVCIWFHJFAU-XNRPHZJLSA-N 1 0 324.377 1.475 20 5 DDBDRO Cc1ccc(C(=O)NC[C@H]2CCCC[N@@H+]2CCO)cc1[N+](=O)[O-] ZINC000452363985 231362814 /nfs/dbraw/zinc/36/28/14/231362814.db2.gz ADAOOBYUIQBQFM-CQSZACIVSA-N 1 0 321.377 1.480 20 5 DDBDRO CCCN(CC[NH+]1CCCC1)C(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000286611649 219081182 /nfs/dbraw/zinc/08/11/82/219081182.db2.gz BWGOVEAATQIPNG-UHFFFAOYSA-N 1 0 309.370 1.574 20 5 DDBDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)COc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000425047992 529822153 /nfs/dbraw/zinc/82/21/53/529822153.db2.gz NKNZJADSEGZKQM-GXTWGEPZSA-N 1 0 319.361 1.526 20 5 DDBDRO C[N@H+](CCCCNC(=O)CNc1ccccc1[N+](=O)[O-])C1CC1 ZINC000457195122 529882990 /nfs/dbraw/zinc/88/29/90/529882990.db2.gz GDFANGDLVOAGDB-UHFFFAOYSA-N 1 0 320.393 1.997 20 5 DDBDRO C[NH2+][C@@H](C)Cc1noc(-c2cc3c(c([N+](=O)[O-])c2)OCO3)n1 ZINC000414636162 530041322 /nfs/dbraw/zinc/04/13/22/530041322.db2.gz AGQOADIIONFGRQ-ZETCQYMHSA-N 1 0 306.278 1.524 20 5 DDBDRO CN(CC(C)(C)C[NH3+])S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000261792426 282367739 /nfs/dbraw/zinc/36/77/39/282367739.db2.gz XXNVDAMNKJDWSV-UHFFFAOYSA-N 1 0 319.358 1.339 20 5 DDBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)Cn2cccn2)cc1[N+](=O)[O-] ZINC000181836785 199359882 /nfs/dbraw/zinc/35/98/82/199359882.db2.gz UTQSPQVKAGDAEM-GXTWGEPZSA-N 1 0 304.350 1.811 20 5 DDBDRO COC[C@H](CO)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000279640501 215025989 /nfs/dbraw/zinc/02/59/89/215025989.db2.gz CVODKCHMZRCOMP-LBPRGKRZSA-N 1 0 306.318 1.952 20 5 DDBDRO C[C@H](NC(=O)COc1ccccc1[N+](=O)[O-])C1=CC[N@H+](C)CC1 ZINC000272648483 210052645 /nfs/dbraw/zinc/05/26/45/210052645.db2.gz DPXPOFBMXMMLRL-LBPRGKRZSA-N 1 0 319.361 1.740 20 5 DDBDRO C[C@@H](C[NH+](C)C)NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000286944771 219238364 /nfs/dbraw/zinc/23/83/64/219238364.db2.gz KFXPFFZYVDQRST-QMMMGPOBSA-N 1 0 317.292 1.876 20 5 DDBDRO CCOC(=O)c1cc(C(=O)N(C)CC[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000080393389 192155125 /nfs/dbraw/zinc/15/51/25/192155125.db2.gz QMKWNMSROBTCOF-UHFFFAOYSA-N 1 0 323.349 1.405 20 5 DDBDRO CC(C)[C@@H](CO)[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000130149406 185940722 /nfs/dbraw/zinc/94/07/22/185940722.db2.gz OUXWCGWQDNFRQG-CYBMUJFWSA-N 1 0 313.329 1.669 20 5 DDBDRO Cn1ccnc1[C@H]1OCC[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000343393890 282655199 /nfs/dbraw/zinc/65/51/99/282655199.db2.gz XCROKVNSYLMXEU-KGLIPLIRSA-N 1 0 302.334 1.948 20 5 DDBDRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000237445939 186290267 /nfs/dbraw/zinc/29/02/67/186290267.db2.gz ZGLPHFSHTJEFLM-UWVGGRQHSA-N 1 0 317.349 1.671 20 5 DDBDRO CCc1n[nH]c(C(=O)N2CCC[C@@H]([NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000277251299 213396568 /nfs/dbraw/zinc/39/65/68/213396568.db2.gz KIOKQSIAMQYTHK-SNVBAGLBSA-N 1 0 309.370 1.437 20 5 DDBDRO CCc1n[nH]c(C(=O)N2CCC[C@H]([NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000277251297 213395983 /nfs/dbraw/zinc/39/59/83/213395983.db2.gz KIOKQSIAMQYTHK-JTQLQIEISA-N 1 0 309.370 1.437 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@](C)(O)CCOC ZINC000172072801 198034977 /nfs/dbraw/zinc/03/49/77/198034977.db2.gz FKFPPLRFVCBWMM-HNNXBMFYSA-N 1 0 312.366 1.871 20 5 DDBDRO C[C@@H](C[NH+](C)C)NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000287222558 219389430 /nfs/dbraw/zinc/38/94/30/219389430.db2.gz ORVPPXBZQLHMHT-VIFPVBQESA-N 1 0 301.293 1.753 20 5 DDBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000027771941 352222898 /nfs/dbraw/zinc/22/28/98/352222898.db2.gz MCHRDFWGGFSXBU-CYBMUJFWSA-N 1 0 321.377 1.964 20 5 DDBDRO C[C@@H]1C[NH+](CCCNC(=O)c2cc([N+](=O)[O-])c[nH]2)C[C@@H](C)O1 ZINC000042811746 352352372 /nfs/dbraw/zinc/35/23/72/352352372.db2.gz FDKCRWQXRKBTMK-GHMZBOCLSA-N 1 0 310.354 1.152 20 5 DDBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)NCC[NH+]1CCCC1 ZINC000072634360 191205934 /nfs/dbraw/zinc/20/59/34/191205934.db2.gz QJLHEMRGZYNNIB-UHFFFAOYSA-N 1 0 309.391 1.899 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NCC(C)(C)C[NH+](C)C ZINC000053272515 352647464 /nfs/dbraw/zinc/64/74/64/352647464.db2.gz AHRXRKIXHAIRRJ-UHFFFAOYSA-N 1 0 309.366 1.921 20 5 DDBDRO O=C(/C=C/c1cccc([N+](=O)[O-])c1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000067703543 353063172 /nfs/dbraw/zinc/06/31/72/353063172.db2.gz LFLATDWQKVCQAT-WXJAXGNASA-N 1 0 301.346 1.961 20 5 DDBDRO C[N@H+](CCNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)C1CC1 ZINC000067282055 353042134 /nfs/dbraw/zinc/04/21/34/353042134.db2.gz LKRWXFHBVSYAGK-UHFFFAOYSA-N 1 0 318.377 1.993 20 5 DDBDRO C[C@@H]1COCC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000331928307 234287761 /nfs/dbraw/zinc/28/77/61/234287761.db2.gz DCCVQIMWZFLELA-STQMWFEESA-N 1 0 310.350 1.303 20 5 DDBDRO O=[N+]([O-])c1ccc(N[C@H]2CCN(CC[NH+]3CCCCC3)C2)nc1 ZINC000072665275 353207980 /nfs/dbraw/zinc/20/79/80/353207980.db2.gz VYGYICICZNFYQN-AWEZNQCLSA-N 1 0 319.409 1.962 20 5 DDBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000174536419 198349341 /nfs/dbraw/zinc/34/93/41/198349341.db2.gz UOVLNXXCOWEEKH-ZDUSSCGKSA-N 1 0 321.377 1.774 20 5 DDBDRO CC(C)[N@@H+]1CCCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000075938902 353386057 /nfs/dbraw/zinc/38/60/57/353386057.db2.gz CINCOGGCYDUAJJ-UHFFFAOYSA-N 1 0 320.393 1.610 20 5 DDBDRO CCC[N@H+](C)C[C@H]1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000078562781 353521838 /nfs/dbraw/zinc/52/18/38/353521838.db2.gz OABDMTCCLHWNBH-GFCCVEGCSA-N 1 0 320.393 1.862 20 5 DDBDRO CCOC(=O)c1ccnc(N[C@H](C)CC[NH+](C)C)c1[N+](=O)[O-] ZINC000077937578 353497513 /nfs/dbraw/zinc/49/75/13/353497513.db2.gz DYAVIBRVLKYDOL-SNVBAGLBSA-N 1 0 310.354 1.919 20 5 DDBDRO CCc1nn(C)c(N2CCC[C@@H]([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000091453516 353826489 /nfs/dbraw/zinc/82/64/89/353826489.db2.gz OZLKULHDLQCFPC-GFCCVEGCSA-N 1 0 307.398 1.955 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)c1 ZINC000108301059 353949537 /nfs/dbraw/zinc/94/95/37/353949537.db2.gz LPPIONYTSIAXAD-GFCCVEGCSA-N 1 0 319.361 1.818 20 5 DDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000124942181 354043487 /nfs/dbraw/zinc/04/34/87/354043487.db2.gz IUWWQPUVIIVHSU-GHMZBOCLSA-N 1 0 313.379 1.451 20 5 DDBDRO O=[N+]([O-])c1cccc(CS(=O)(=O)NCC2CC[NH2+]CC2)c1 ZINC000130940107 354097947 /nfs/dbraw/zinc/09/79/47/354097947.db2.gz DVSDIPYZGXCHJB-UHFFFAOYSA-N 1 0 313.379 1.014 20 5 DDBDRO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000345840117 283002870 /nfs/dbraw/zinc/00/28/70/283002870.db2.gz HBEDFGBYRASSCU-RYUDHWBXSA-N 1 0 307.350 1.608 20 5 DDBDRO CCOc1ccc(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000162202992 354246177 /nfs/dbraw/zinc/24/61/77/354246177.db2.gz IILWUHFRFKYXJT-RYUDHWBXSA-N 1 0 307.350 1.993 20 5 DDBDRO CCC[NH2+]CCNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000357229926 291022785 /nfs/dbraw/zinc/02/27/85/291022785.db2.gz WQMRLSQSBBBNCU-UHFFFAOYSA-N 1 0 317.349 1.510 20 5 DDBDRO [NH3+][C@H](CNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000261902877 354390991 /nfs/dbraw/zinc/39/09/91/354390991.db2.gz FGECCDTZEPHECX-GFCCVEGCSA-N 1 0 316.317 1.316 20 5 DDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000314401393 354485830 /nfs/dbraw/zinc/48/58/30/354485830.db2.gz XHKQXGHYKMBCSO-CYBMUJFWSA-N 1 0 303.362 1.928 20 5 DDBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]Cc1cncn1C ZINC000289700916 354441485 /nfs/dbraw/zinc/44/14/85/354441485.db2.gz IOZBOHKMJYSNTL-NSHDSACASA-N 1 0 317.349 1.835 20 5 DDBDRO CC(C)(C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000320972198 354530429 /nfs/dbraw/zinc/53/04/29/354530429.db2.gz KHDLSBYJKIKFTR-HNNXBMFYSA-N 1 0 318.377 1.720 20 5 DDBDRO Nc1ccc(N2CCC(C[NH+]3CCCC3)CC2)nc1[N+](=O)[O-] ZINC000320018324 354524967 /nfs/dbraw/zinc/52/49/67/354524967.db2.gz UMCPOOHOCHHGSR-UHFFFAOYSA-N 1 0 305.382 1.884 20 5 DDBDRO C[N@@H+]1CCO[C@H]2CCN(c3nc4sccn4c3[N+](=O)[O-])C[C@H]21 ZINC000284899861 283031993 /nfs/dbraw/zinc/03/19/93/283031993.db2.gz HOWHDNOUOACTJY-ZJUUUORDSA-N 1 0 323.378 1.213 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCCC1(C[NH3+])CC1 ZINC000404832887 354676726 /nfs/dbraw/zinc/67/67/26/354676726.db2.gz JFJPSJUGFGQFOS-UHFFFAOYSA-N 1 0 313.379 1.311 20 5 DDBDRO O=C(/C=C\c1ccc(F)cc1[N+](=O)[O-])NC[C@@H]1CCC[NH2+]C1 ZINC000493673887 234896574 /nfs/dbraw/zinc/89/65/74/234896574.db2.gz NCRIMMULZWVRKN-VLWUPBBWSA-N 1 0 307.325 1.863 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000358687808 299220660 /nfs/dbraw/zinc/22/06/60/299220660.db2.gz JWTXFXJBYSIPQX-QWRGUYRKSA-N 1 0 307.350 1.608 20 5 DDBDRO Cc1cccc(C(=O)N2CC[C@H]([N@@H+]3CC[C@@H](O)C3)C2)c1[N+](=O)[O-] ZINC000588863637 354944220 /nfs/dbraw/zinc/94/42/20/354944220.db2.gz SGMITZDFPYJMLW-QWHCGFSZSA-N 1 0 319.361 1.184 20 5 DDBDRO C[C@H]1OCC[C@@]1(C)[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000494281621 235014610 /nfs/dbraw/zinc/01/46/10/235014610.db2.gz GMFVBMFRWSYBIV-BDJLRTHQSA-N 1 0 319.361 1.641 20 5 DDBDRO Nc1cc(N2CC[C@H](C[NH+]3CCCC3)C2)cc(CO)c1[N+](=O)[O-] ZINC000590136013 355053177 /nfs/dbraw/zinc/05/31/77/355053177.db2.gz VHEXUMOBPMFEBB-GFCCVEGCSA-N 1 0 320.393 1.591 20 5 DDBDRO O=[N+]([O-])c1cnc2ccc(N3CC[C@@H](C[NH+]4CCCC4)C3)nn21 ZINC000590136040 355053228 /nfs/dbraw/zinc/05/32/28/355053228.db2.gz YUBVVERNJYIURE-LBPRGKRZSA-N 1 0 316.365 1.560 20 5 DDBDRO C[N@@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000590561800 355114681 /nfs/dbraw/zinc/11/46/81/355114681.db2.gz GVVWGHBUWDPENZ-WDEREUQCSA-N 1 0 309.322 1.123 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@@H]([NH+](C)C)[C@@H]1C ZINC000590566983 355115940 /nfs/dbraw/zinc/11/59/40/355115940.db2.gz WGGABZDGDXSHPQ-CMPLNLGQSA-N 1 0 309.370 1.041 20 5 DDBDRO C[NH+](C)CCCOC1CCN(c2ccc(N)c([N+](=O)[O-])n2)CC1 ZINC000590586297 355121762 /nfs/dbraw/zinc/12/17/62/355121762.db2.gz VPCRWVYNTCQPKG-UHFFFAOYSA-N 1 0 323.397 1.509 20 5 DDBDRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000590404099 355086376 /nfs/dbraw/zinc/08/63/76/355086376.db2.gz UDMITAKAVIXUSI-SMDDNHRTSA-N 1 0 307.350 1.525 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCc2nc[nH]c2C1 ZINC000590599590 355125993 /nfs/dbraw/zinc/12/59/93/355125993.db2.gz JHKVEOCGXKDYSO-LLVKDONJSA-N 1 0 318.333 1.116 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(CCCOc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000590758470 355168507 /nfs/dbraw/zinc/16/85/07/355168507.db2.gz OOFVXVACRAQQMU-CJNGLKHVSA-N 1 0 305.378 2.000 20 5 DDBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000591347092 355294481 /nfs/dbraw/zinc/29/44/81/355294481.db2.gz YGUMVNVVIQJZPI-UKRRQHHQSA-N 1 0 318.377 1.531 20 5 DDBDRO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000591446057 355312655 /nfs/dbraw/zinc/31/26/55/355312655.db2.gz PSWDMIMHKXVKBM-TZMCWYRMSA-N 1 0 306.366 1.713 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000591448195 355313755 /nfs/dbraw/zinc/31/37/55/355313755.db2.gz HATGQEXCPGDHKU-CHWSQXEVSA-N 1 0 318.377 1.526 20 5 DDBDRO C[C@H]([NH3+])CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000591279377 355277114 /nfs/dbraw/zinc/27/71/14/355277114.db2.gz XCZIOYJEFXUCCT-LURJTMIESA-N 1 0 304.253 1.665 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCC[NH2+]C1CC1 ZINC000591294761 355282593 /nfs/dbraw/zinc/28/25/93/355282593.db2.gz UMJIVMMKKGOOHH-UHFFFAOYSA-N 1 0 320.349 1.018 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H]2C[C@@H]3OCCC[C@@H]23)c1 ZINC000591762918 355379491 /nfs/dbraw/zinc/37/94/91/355379491.db2.gz HBLXCEBMNDCVRO-BVUBDWEXSA-N 1 0 322.361 1.492 20 5 DDBDRO COc1ccc(CC(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000591676549 355360128 /nfs/dbraw/zinc/36/01/28/355360128.db2.gz WYSNIRUSAURUBQ-RISCZKNCSA-N 1 0 321.377 1.732 20 5 DDBDRO COc1ccc(CC(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)cc1[N+](=O)[O-] ZINC000592248901 355546649 /nfs/dbraw/zinc/54/66/49/355546649.db2.gz WRMGYZFWYKFYCE-CHWSQXEVSA-N 1 0 319.361 1.356 20 5 DDBDRO CCOc1cc(C[N@H+](CCO)CCCOC)ccc1[N+](=O)[O-] ZINC000276967351 213207161 /nfs/dbraw/zinc/20/71/61/213207161.db2.gz WGRSYZKZWCXXLS-UHFFFAOYSA-N 1 0 312.366 1.824 20 5 DDBDRO O=c1c(Br)cc([N+](=O)[O-])cn1C[C@@H]1CC[NH2+]C1 ZINC000592159809 355522275 /nfs/dbraw/zinc/52/22/75/355522275.db2.gz GQFPHKSXRCXJIY-SSDOTTSWSA-N 1 0 302.128 1.129 20 5 DDBDRO COC(=O)[C@H]1C[C@H](O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000592530717 355615970 /nfs/dbraw/zinc/61/59/70/355615970.db2.gz GILQIQUMOGUKBD-JSGCOSHPSA-N 1 0 308.334 1.259 20 5 DDBDRO O=[N+]([O-])c1cc(-c2nc([C@@H]3CCC[NH2+]3)no2)cc2c1OCO2 ZINC000592356886 355565529 /nfs/dbraw/zinc/56/55/29/355565529.db2.gz KOEZPDHDENLYFS-QMMMGPOBSA-N 1 0 304.262 1.798 20 5 DDBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000592544310 355622313 /nfs/dbraw/zinc/62/23/13/355622313.db2.gz BSYJFKVNWQRMDI-RISCZKNCSA-N 1 0 321.402 1.897 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[C@@H]3C[N@H+](C)C[C@@H]32)c1 ZINC000593028919 355774223 /nfs/dbraw/zinc/77/42/23/355774223.db2.gz FFXPAVAPRACXDH-DOMZBBRYSA-N 1 0 319.361 1.517 20 5 DDBDRO NC(=O)c1ccc(C[N@@H+]2CC[C@]3(CC3(F)F)C2)c([N+](=O)[O-])c1 ZINC000593117433 355804635 /nfs/dbraw/zinc/80/46/35/355804635.db2.gz NEKHSHXTSGFEIB-ZDUSSCGKSA-N 1 0 311.288 1.925 20 5 DDBDRO CCOc1cc(N2CC([N@@H+]3CC[C@@H](O)C3)C2)ccc1[N+](=O)[O-] ZINC000593505232 355906513 /nfs/dbraw/zinc/90/65/13/355906513.db2.gz UYPHAPIADWTYFO-CYBMUJFWSA-N 1 0 307.350 1.249 20 5 DDBDRO C[C@@H](CNC(=O)Cc1ccc(F)cc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000593451074 355888333 /nfs/dbraw/zinc/88/83/33/355888333.db2.gz TWMVYQRTJJGIBD-NSHDSACASA-N 1 0 309.341 1.877 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000593903621 356049868 /nfs/dbraw/zinc/04/98/68/356049868.db2.gz IISLAMIOLZMUTA-KBPBESRZSA-N 1 0 319.361 1.750 20 5 DDBDRO CCO[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2OC)C[C@H]1C[NH3+] ZINC000593916117 356058238 /nfs/dbraw/zinc/05/82/38/356058238.db2.gz BEMFLAGUOKVJHA-QMTHXVAHSA-N 1 0 323.349 1.039 20 5 DDBDRO O=C(Nc1ccncc1[N+](=O)[O-])N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594081522 356107801 /nfs/dbraw/zinc/10/78/01/356107801.db2.gz OFPMLORGBRPJLP-YPMHNXCESA-N 1 0 319.365 1.550 20 5 DDBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000594434299 356211758 /nfs/dbraw/zinc/21/17/58/356211758.db2.gz MVKYITNWFCTLIL-HOCLYGCPSA-N 1 0 319.361 1.480 20 5 DDBDRO O=C(NCCNc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000594425981 356207192 /nfs/dbraw/zinc/20/71/92/356207192.db2.gz NRVYPKBXYRVQHF-GOEBONIOSA-N 1 0 318.377 1.513 20 5 DDBDRO Cn1nnc2c1CC[C@H]([NH2+][C@H]1CCc3c1cccc3[N+](=O)[O-])C2 ZINC000594510647 356240904 /nfs/dbraw/zinc/24/09/04/356240904.db2.gz AFCBBHJVCRYQJP-GWCFXTLKSA-N 1 0 313.361 1.858 20 5 DDBDRO Cc1ccc(S(=O)(=O)NCC[C@@H](C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000594818413 356327111 /nfs/dbraw/zinc/32/71/11/356327111.db2.gz XTXDRIVNQZLTNS-LLVKDONJSA-N 1 0 315.395 1.522 20 5 DDBDRO COc1cc(C[NH2+][C@@H](C)C2(CO)CC2)c([N+](=O)[O-])cc1OC ZINC000594967375 356365342 /nfs/dbraw/zinc/36/53/42/356365342.db2.gz XSLRAHDHIVGNPA-JTQLQIEISA-N 1 0 310.350 1.863 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CC[C@H](C)S(=O)(=O)C1 ZINC000594973954 356366452 /nfs/dbraw/zinc/36/64/52/356366452.db2.gz IANVZVCVBCLAKB-WCQYABFASA-N 1 0 312.391 1.959 20 5 DDBDRO CN(CC(C)(C)[NH3+])S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000595115490 356384522 /nfs/dbraw/zinc/38/45/22/356384522.db2.gz GIJYHDIGLNCXNV-UHFFFAOYSA-N 1 0 315.395 1.136 20 5 DDBDRO Cc1c(NC(=O)C(=O)NCC2([NH3+])CCCC2)cccc1[N+](=O)[O-] ZINC000595242389 356415264 /nfs/dbraw/zinc/41/52/64/356415264.db2.gz WIBYMJDZBZJEJQ-UHFFFAOYSA-N 1 0 320.349 1.229 20 5 DDBDRO C[NH2+]C[C@H](C)NC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000595275380 356429067 /nfs/dbraw/zinc/42/90/67/356429067.db2.gz LQLHDARPROPYJE-LBPRGKRZSA-N 1 0 321.381 1.034 20 5 DDBDRO Cc1noc(C[NH2+][C@H](CC(N)=O)C2CCCCC2)c1[N+](=O)[O-] ZINC000595431784 356490372 /nfs/dbraw/zinc/49/03/72/356490372.db2.gz PBERJSZSIDGGGW-LLVKDONJSA-N 1 0 310.354 1.805 20 5 DDBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000081361390 192257465 /nfs/dbraw/zinc/25/74/65/192257465.db2.gz NVOMMZBNOCVJRI-GFCCVEGCSA-N 1 0 320.393 1.981 20 5 DDBDRO CO[C@@H]1CCC[C@@H]([C@H](CO)[NH2+]Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595634947 356586287 /nfs/dbraw/zinc/58/62/87/356586287.db2.gz RSQOEEMGDIEQOQ-UTUOFQBUSA-N 1 0 313.354 1.547 20 5 DDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H]2COC[C@H]2C1 ZINC000595836633 356672733 /nfs/dbraw/zinc/67/27/33/356672733.db2.gz XOVZGFKYJLBIMI-FRRDWIJNSA-N 1 0 319.361 1.890 20 5 DDBDRO C[C@@H]1C[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@]1(C)CO ZINC000595856995 356679230 /nfs/dbraw/zinc/67/92/30/356679230.db2.gz HERBBDFSXKPMRO-XNRPHZJLSA-N 1 0 324.377 1.285 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CC[C@@H]3COC[C@@H]3C2)c1 ZINC000595826892 356666081 /nfs/dbraw/zinc/66/60/81/356666081.db2.gz AWPAMPVMNJOSFM-VNHYZAJKSA-N 1 0 322.361 1.303 20 5 DDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H](C)[C@](C)(CO)C1 ZINC000595880766 356689384 /nfs/dbraw/zinc/68/93/84/356689384.db2.gz ZBVMGICFWAKHGC-HSMVNMDESA-N 1 0 321.377 1.872 20 5 DDBDRO C[C@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@]1(C)CO ZINC000595868948 356685123 /nfs/dbraw/zinc/68/51/23/356685123.db2.gz CNXFAHGXXPBUCR-LRDDRELGSA-N 1 0 321.377 1.874 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595962967 356725888 /nfs/dbraw/zinc/72/58/88/356725888.db2.gz WPIKHTPYAYUBDO-ZDUSSCGKSA-N 1 0 320.393 1.785 20 5 DDBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCOCCF ZINC000596094035 356769624 /nfs/dbraw/zinc/76/96/24/356769624.db2.gz HCFXOEHAAOAPRK-NSHDSACASA-N 1 0 313.329 1.888 20 5 DDBDRO CN(C)CC[N@H+](C)CCCNc1c(Cl)cncc1[N+](=O)[O-] ZINC000596234554 356827145 /nfs/dbraw/zinc/82/71/45/356827145.db2.gz MRONUIGNHXBXQR-UHFFFAOYSA-N 1 0 315.805 1.361 20 5 DDBDRO C[C@@H](CCNc1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C)[NH+](C)C ZINC000596428064 356876318 /nfs/dbraw/zinc/87/63/18/356876318.db2.gz DGSNSAZJFHFTSH-JTQLQIEISA-N 1 0 321.381 1.537 20 5 DDBDRO C[NH2+]C[C@H](C)N[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000596655017 356943388 /nfs/dbraw/zinc/94/33/88/356943388.db2.gz PKKJDMVYRKUIEP-SMDDNHRTSA-N 1 0 303.366 1.615 20 5 DDBDRO COc1ccc(Cc2nc(C3([NH3+])CCC3)no2)cc1[N+](=O)[O-] ZINC000579352757 422754365 /nfs/dbraw/zinc/75/43/65/422754365.db2.gz JKXCEWYJERYYMV-UHFFFAOYSA-N 1 0 304.306 1.915 20 5 DDBDRO C[C@@H]1C[NH+](CCCCNC(=O)c2cc([N+](=O)[O-])c[nH]2)C[C@@H](C)O1 ZINC000347605127 283241396 /nfs/dbraw/zinc/24/13/96/283241396.db2.gz IZVHERAXFGTJPQ-VXGBXAGGSA-N 1 0 324.381 1.542 20 5 DDBDRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000597925375 357384799 /nfs/dbraw/zinc/38/47/99/357384799.db2.gz NXYYDEWXWOKXEJ-GFCCVEGCSA-N 1 0 321.377 1.963 20 5 DDBDRO CCN(C(=O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C)C1 ZINC000597946285 357394839 /nfs/dbraw/zinc/39/48/39/357394839.db2.gz NGJDQWGXGHFURV-CYBMUJFWSA-N 1 0 307.350 1.526 20 5 DDBDRO CCN(C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)[C@H]1CC[N@H+](C)C1 ZINC000597947460 357395854 /nfs/dbraw/zinc/39/58/54/357395854.db2.gz YTZKHVSLENYDBE-NSHDSACASA-N 1 0 317.349 1.637 20 5 DDBDRO COC(=O)c1ccnc(N2CC[C@H]([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000598591803 357643788 /nfs/dbraw/zinc/64/37/88/357643788.db2.gz BZRSBMSSYHLPRA-NSHDSACASA-N 1 0 320.349 1.451 20 5 DDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000598684993 357685945 /nfs/dbraw/zinc/68/59/45/357685945.db2.gz ZREDWWUXSYRSDR-HSMVNMDESA-N 1 0 318.377 1.735 20 5 DDBDRO CC1(c2ccccc2)C[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000598706723 357698223 /nfs/dbraw/zinc/69/82/23/357698223.db2.gz URWHPXMTEZRYSA-HNNXBMFYSA-N 1 0 316.361 1.426 20 5 DDBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H]1C[C@@H](O)C1 ZINC000599084674 357810568 /nfs/dbraw/zinc/81/05/68/357810568.db2.gz FAKCGYWNIGMEQT-COPLHBTASA-N 1 0 307.350 1.672 20 5 DDBDRO COC(=O)c1cnc(NC[C@H]2CCCC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC000599138080 357826886 /nfs/dbraw/zinc/82/68/86/357826886.db2.gz FSOLMDQOPIGUNJ-LLVKDONJSA-N 1 0 322.365 1.920 20 5 DDBDRO O=[N+]([O-])c1ccc(NCC[N@H+]2CC[C@@H](O)C2)cc1OC(F)F ZINC000599176020 357840609 /nfs/dbraw/zinc/84/06/09/357840609.db2.gz OKHXORDZWDOXKY-SNVBAGLBSA-N 1 0 317.292 1.675 20 5 DDBDRO COC(=O)[C@@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)[C@H]2CCC[C@@H]21 ZINC000599661223 358013586 /nfs/dbraw/zinc/01/35/86/358013586.db2.gz TVCUSCRLCKCBBO-UPJWGTAASA-N 1 0 322.365 1.455 20 5 DDBDRO COC(=O)C1C[C@@H](C)[NH+](CCn2ccc([N+](=O)[O-])n2)[C@H](C)C1 ZINC000599688681 358026053 /nfs/dbraw/zinc/02/60/53/358026053.db2.gz LLJMCMRKGCJBPJ-GHMZBOCLSA-N 1 0 310.354 1.453 20 5 DDBDRO COc1cc(C(=O)N[C@H]2CCC[C@@H]2C[NH3+])c([N+](=O)[O-])cc1OC ZINC000237274459 202213242 /nfs/dbraw/zinc/21/32/42/202213242.db2.gz PFSZLIMWGMKMMP-KOLCDFICSA-N 1 0 323.349 1.469 20 5 DDBDRO COc1c(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)cccc1[N+](=O)[O-] ZINC000599992610 358098592 /nfs/dbraw/zinc/09/85/92/358098592.db2.gz YULFWWLSVVJZIH-PJXYFTJBSA-N 1 0 305.334 1.235 20 5 DDBDRO C[N@@H+]1CCCC[C@@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000600312985 358193231 /nfs/dbraw/zinc/19/32/31/358193231.db2.gz WLZOLQLNSKIGLF-AWEZNQCLSA-N 1 0 305.378 1.985 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000600472130 358234066 /nfs/dbraw/zinc/23/40/66/358234066.db2.gz MXUHJTDEHMEEEZ-CYBMUJFWSA-N 1 0 321.381 1.233 20 5 DDBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[NH2+][C@H]1C ZINC000600681436 358281869 /nfs/dbraw/zinc/28/18/69/358281869.db2.gz HVIVTMUWIHECMU-COPLHBTASA-N 1 0 306.366 1.652 20 5 DDBDRO O=[N+]([O-])c1ccc(OCc2cn([C@H]3CCC[NH2+]C3)nn2)cc1 ZINC000600971709 358363580 /nfs/dbraw/zinc/36/35/80/358363580.db2.gz PGGHDMRSWBCYNR-ZDUSSCGKSA-N 1 0 303.322 1.690 20 5 DDBDRO C[C@H](O)C[NH+]1CCN(c2ccnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000601113000 358406723 /nfs/dbraw/zinc/40/67/23/358406723.db2.gz AOGIZRXDFQCHAN-LBPRGKRZSA-N 1 0 316.361 1.646 20 5 DDBDRO CS[C@H]1CN(c2ncc(F)cc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000601136257 358417099 /nfs/dbraw/zinc/41/70/99/358417099.db2.gz YWXZNAYOZWAOOT-QWRGUYRKSA-N 1 0 300.359 1.611 20 5 DDBDRO Cc1cc(S(=O)(=O)N2CC(C[NH+](C)C)C2)c([N+](=O)[O-])s1 ZINC000601423577 358546816 /nfs/dbraw/zinc/54/68/16/358546816.db2.gz CTEZYDFBIOVEGS-UHFFFAOYSA-N 1 0 319.408 1.147 20 5 DDBDRO Cc1cc(S(=O)(=O)NC[C@H](C)[NH+](C)C)c(F)cc1[N+](=O)[O-] ZINC000601431423 358550207 /nfs/dbraw/zinc/55/02/07/358550207.db2.gz MUPNPQMTGZDLMO-VIFPVBQESA-N 1 0 319.358 1.271 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000601557355 358599786 /nfs/dbraw/zinc/59/97/86/358599786.db2.gz OEDOFPLLUMYGJV-SMDDNHRTSA-N 1 0 304.350 1.512 20 5 DDBDRO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)COc1ccc([N+](=O)[O-])cc1)C2 ZINC000601974343 358761068 /nfs/dbraw/zinc/76/10/68/358761068.db2.gz IKVDZUICMXRSPJ-IYBDPMFKSA-N 1 0 319.361 1.432 20 5 DDBDRO C[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C(C)(C)O ZINC000602524901 359025830 /nfs/dbraw/zinc/02/58/30/359025830.db2.gz AGACTASTPBWYKB-LLVKDONJSA-N 1 0 308.382 1.708 20 5 DDBDRO COc1cc(C(=O)N2CC[NH2+]C[C@H]2C(C)C)ccc1[N+](=O)[O-] ZINC000602530014 359029520 /nfs/dbraw/zinc/02/95/20/359029520.db2.gz RCQDJHJKGGCKCF-ZDUSSCGKSA-N 1 0 307.350 1.673 20 5 DDBDRO C[C@@H](CO)[C@@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602561262 359045702 /nfs/dbraw/zinc/04/57/02/359045702.db2.gz XKMFLYUTJKKVSN-NWDGAFQWSA-N 1 0 308.382 1.565 20 5 DDBDRO Cn1cc(C[N@@H+]2CC[C@H](Cc3ccncc3)C2)c([N+](=O)[O-])n1 ZINC000602603217 359066929 /nfs/dbraw/zinc/06/69/29/359066929.db2.gz WMLAQWUMRGRESY-CYBMUJFWSA-N 1 0 301.350 1.788 20 5 DDBDRO COCCO[C@@H]1COCC[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602626404 359082149 /nfs/dbraw/zinc/08/21/49/359082149.db2.gz YOPFKKUUZKLWPK-JKSUJKDBSA-N 1 0 324.377 1.547 20 5 DDBDRO [NH3+][C@H]1CCCCCN(C(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000602578190 359053465 /nfs/dbraw/zinc/05/34/65/359053465.db2.gz KUEJGJLLBRUBJA-LBPRGKRZSA-N 1 0 307.350 1.704 20 5 DDBDRO O=C(N1C[C@@H]2C[C@H]1C[NH2+]2)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000602592276 359060158 /nfs/dbraw/zinc/06/01/58/359060158.db2.gz PMLOYAXSXUBMDZ-JSGCOSHPSA-N 1 0 301.346 1.589 20 5 DDBDRO C[C@@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)N(C)C ZINC000602594295 359060958 /nfs/dbraw/zinc/06/09/58/359060958.db2.gz RAQLUOOQOLKEPN-LBPRGKRZSA-N 1 0 307.398 1.498 20 5 DDBDRO COC(=O)[C@H]1CCCC[C@@]1(C)[NH2+]CCn1c(C)ncc1[N+](=O)[O-] ZINC000602794213 359196117 /nfs/dbraw/zinc/19/61/17/359196117.db2.gz IGYXTCLCGHBYJY-IUODEOHRSA-N 1 0 324.381 1.811 20 5 DDBDRO C[C@H]1OCC[C@@H]1C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602768326 359176731 /nfs/dbraw/zinc/17/67/31/359176731.db2.gz UHDMBIHWGHSDAN-CHWSQXEVSA-N 1 0 306.366 1.537 20 5 DDBDRO CO[C@H]1C[C@@H]([N@H+](C)CCn2c(C)ncc2[N+](=O)[O-])C12CCC2 ZINC000602839810 359228813 /nfs/dbraw/zinc/22/88/13/359228813.db2.gz LWLCLUUFYHDRQI-OLZOCXBDSA-N 1 0 308.382 1.989 20 5 DDBDRO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@@H]3CCc4ncnn43)CC2)n1 ZINC000602819528 359214063 /nfs/dbraw/zinc/21/40/63/359214063.db2.gz SWKOOAKNOBBQGY-LBPRGKRZSA-N 1 0 317.353 1.207 20 5 DDBDRO COC(=O)C1C[C@H](C)[NH+](CCn2c(C)ncc2[N+](=O)[O-])[C@@H](C)C1 ZINC000602915310 359291684 /nfs/dbraw/zinc/29/16/84/359291684.db2.gz AIFPATSDKNWKKY-QWRGUYRKSA-N 1 0 324.381 1.762 20 5 DDBDRO CCN(C)C(=O)C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000186819164 200016339 /nfs/dbraw/zinc/01/63/39/200016339.db2.gz XTKIYLVWCGZPOS-CQSZACIVSA-N 1 0 305.378 1.984 20 5 DDBDRO C[C@@H](CNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)C[NH+]1CCCCC1 ZINC000186986266 200043017 /nfs/dbraw/zinc/04/30/17/200043017.db2.gz FCSVFMJXYUIBSS-NSHDSACASA-N 1 0 322.365 1.547 20 5 DDBDRO O=[N+]([O-])c1cc2c(nc1NC[C@H]1CSCC[NH2+]1)CCCC2 ZINC000603417796 359627263 /nfs/dbraw/zinc/62/72/63/359627263.db2.gz BJSRBBZEKVUEEU-NSHDSACASA-N 1 0 308.407 1.986 20 5 DDBDRO CNC(=O)c1ccc(NC[C@H]2CSCC[NH2+]2)c([N+](=O)[O-])c1 ZINC000603418226 359628743 /nfs/dbraw/zinc/62/87/43/359628743.db2.gz DPYOESAPKJCWIX-JTQLQIEISA-N 1 0 310.379 1.071 20 5 DDBDRO O=[N+]([O-])c1ccc(-c2nnc(CN3C[C@H]4C[NH2+]C[C@H]4C3)o2)cc1 ZINC000603833328 359684708 /nfs/dbraw/zinc/68/47/08/359684708.db2.gz GNOGOPXUCAZKRS-TXEJJXNPSA-N 1 0 315.333 1.296 20 5 DDBDRO COc1cc(C(=O)NC2(C[NH+](C)C)CCC2)ccc1[N+](=O)[O-] ZINC000281066975 216055584 /nfs/dbraw/zinc/05/55/84/216055584.db2.gz MGXMHUOSKMHSFX-UHFFFAOYSA-N 1 0 307.350 1.818 20 5 DDBDRO C[N@@H+]1CCC[C@@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000604546962 359763868 /nfs/dbraw/zinc/76/38/68/359763868.db2.gz NQVAYVQBWIFMED-SNVBAGLBSA-N 1 0 302.334 1.900 20 5 DDBDRO CCOc1cc(C[NH+]2CCC(CO)(OC)CC2)ccc1[N+](=O)[O-] ZINC000618551364 363668964 /nfs/dbraw/zinc/66/89/64/363668964.db2.gz XYZALIQUFGJAHF-UHFFFAOYSA-N 1 0 324.377 1.967 20 5 DDBDRO [NH3+]C[C@H](NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)C1CC1 ZINC000237928303 202392548 /nfs/dbraw/zinc/39/25/48/202392548.db2.gz LQOFITUAGJFKEN-AWEZNQCLSA-N 1 0 315.333 1.248 20 5 DDBDRO [NH3+]C[C@H]1CCCN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000238050454 202429204 /nfs/dbraw/zinc/42/92/04/202429204.db2.gz ZXIARDXQXOJYQW-GFCCVEGCSA-N 1 0 304.350 1.732 20 5 DDBDRO C[C@@H](O)C[NH+]1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000189366515 200388737 /nfs/dbraw/zinc/38/87/37/200388737.db2.gz GOLAKHTUXRUGLA-LLVKDONJSA-N 1 0 313.785 1.747 20 5 DDBDRO C[C@H](O)C[NH+]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000189325414 200381980 /nfs/dbraw/zinc/38/19/80/200381980.db2.gz GCGRBEGOTDPIHD-NSHDSACASA-N 1 0 313.785 1.747 20 5 DDBDRO C[C@H]1CN(CCNC(=O)c2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000608778024 360241145 /nfs/dbraw/zinc/24/11/45/360241145.db2.gz LXHJRYIMZJJBQP-JTQLQIEISA-N 1 0 311.313 1.184 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([NH2+]C(C)C)C1 ZINC000609135532 360263991 /nfs/dbraw/zinc/26/39/91/360263991.db2.gz PGJNGHVUWLKWFL-LBPRGKRZSA-N 1 0 306.366 1.901 20 5 DDBDRO CN(CC1CC[NH+](C)CC1)c1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000609143676 360266013 /nfs/dbraw/zinc/26/60/13/360266013.db2.gz GGQQZRVAVBQOOO-UHFFFAOYSA-N 1 0 306.366 1.472 20 5 DDBDRO COCC[N@@H+]1CCC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2C)C1 ZINC000609269839 360285821 /nfs/dbraw/zinc/28/58/21/360285821.db2.gz YDDLJIYVPZJVJP-CYBMUJFWSA-N 1 0 321.377 1.744 20 5 DDBDRO C[NH+](C)CCn1cc(NC(=O)Cc2cccc([N+](=O)[O-])c2)cn1 ZINC000610227462 360393296 /nfs/dbraw/zinc/39/32/96/360393296.db2.gz VDIQMCPUIUHSNF-UHFFFAOYSA-N 1 0 317.349 1.534 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c1 ZINC000610276254 360405857 /nfs/dbraw/zinc/40/58/57/360405857.db2.gz FZMSZUCHGMHVFV-ZBFHGGJFSA-N 1 0 321.377 1.639 20 5 DDBDRO Cc1c(NC(=O)[C@@H](C)[N@H+](C)C[C@@H](O)C2CC2)cccc1[N+](=O)[O-] ZINC000611207335 360660237 /nfs/dbraw/zinc/66/02/37/360660237.db2.gz ZWJLJSLNDFXJLZ-IAQYHMDHSA-N 1 0 321.377 1.933 20 5 DDBDRO CC[C@H]1CN(c2nc(C)cc(C)c2[N+](=O)[O-])CC[N@@H+]1C[C@H](C)O ZINC000611615842 360776671 /nfs/dbraw/zinc/77/66/71/360776671.db2.gz CZVMGNLRQDKSFN-KBPBESRZSA-N 1 0 322.409 1.888 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)n1 ZINC000611616201 360777066 /nfs/dbraw/zinc/77/70/66/360777066.db2.gz UMNVJDPGWVGCHQ-KBPBESRZSA-N 1 0 320.393 1.642 20 5 DDBDRO COCC[N@@H+]1CCCN(c2nc(C)cc(C)c2[N+](=O)[O-])CC1 ZINC000611615908 360777476 /nfs/dbraw/zinc/77/74/76/360777476.db2.gz LMKBVRREKPCNDF-UHFFFAOYSA-N 1 0 308.382 1.765 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1cc(N(C)C)cc[nH+]1 ZINC000612346875 360979677 /nfs/dbraw/zinc/97/96/77/360979677.db2.gz ZMSFONOVTPLOJH-UHFFFAOYSA-N 1 0 318.337 1.590 20 5 DDBDRO Cc1ccc(C)c(S(=O)(=O)NC[C@@H]2CCC[NH2+]2)c1[N+](=O)[O-] ZINC000193257774 201014330 /nfs/dbraw/zinc/01/43/30/201014330.db2.gz LDNSEDYJGHPOKY-NSHDSACASA-N 1 0 313.379 1.242 20 5 DDBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000193651094 201096234 /nfs/dbraw/zinc/09/62/34/201096234.db2.gz IWAZEAFHFGTYAG-NSHDSACASA-N 1 0 322.365 1.499 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC[C@H]([NH3+])C1CC1 ZINC000194738206 201280309 /nfs/dbraw/zinc/28/03/09/201280309.db2.gz OUORFNWYEVMJCA-LBPRGKRZSA-N 1 0 313.379 1.227 20 5 DDBDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000194908235 201310590 /nfs/dbraw/zinc/31/05/90/201310590.db2.gz BPQHJBKYXMEZLJ-GFCCVEGCSA-N 1 0 309.370 1.028 20 5 DDBDRO [NH3+][C@H]1CCCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000195106414 201339821 /nfs/dbraw/zinc/33/98/21/201339821.db2.gz LIAFSXBXPUWYGZ-ZDUSSCGKSA-N 1 0 318.377 1.758 20 5 DDBDRO Cc1cc([C@H](C)[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c(C)o1 ZINC000195269195 201370009 /nfs/dbraw/zinc/37/00/09/201370009.db2.gz OVUOJSOKKALNDF-GWCFXTLKSA-N 1 0 308.338 1.713 20 5 DDBDRO [NH3+][C@@H]1CCc2ncc(NC(=O)c3ccc([N+](=O)[O-])[nH]3)cc2C1 ZINC000348985681 283789282 /nfs/dbraw/zinc/78/92/82/283789282.db2.gz AAWRQHUZQWDGEX-SECBINFHSA-N 1 0 301.306 1.386 20 5 DDBDRO CO[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])c(C)s2)[C@H](C[NH3+])C1 ZINC000359230113 299367401 /nfs/dbraw/zinc/36/74/01/299367401.db2.gz PJKMLQOAZHJWBD-VHSXEESVSA-N 1 0 313.379 1.543 20 5 DDBDRO COC(=O)CC[N@@H+]1CCN(c2cc(C)c([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000271753305 209183827 /nfs/dbraw/zinc/18/38/27/209183827.db2.gz ZBKRSPBZEVKMSJ-GFCCVEGCSA-N 1 0 322.365 1.372 20 5 DDBDRO [NH3+]C[C@H]1CC[C@@H](C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)O1 ZINC000261655635 203089241 /nfs/dbraw/zinc/08/92/41/203089241.db2.gz FKARHEYBPVIMEY-CABCVRRESA-N 1 0 321.377 1.540 20 5 DDBDRO Cc1c(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)cccc1[N+](=O)[O-] ZINC000261778911 203113906 /nfs/dbraw/zinc/11/39/06/203113906.db2.gz LAMZIGPQDMNTCF-BETUJISGSA-N 1 0 303.362 1.975 20 5 DDBDRO COc1cc(C(=O)N2CC[C@H]([C@H](C)[NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000261804104 203121901 /nfs/dbraw/zinc/12/19/01/203121901.db2.gz FYIMOLUPRZZPLT-UWVGGRQHSA-N 1 0 323.349 1.421 20 5 DDBDRO CCc1n[nH]c(C(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)c1[N+](=O)[O-] ZINC000275067544 212102505 /nfs/dbraw/zinc/10/25/05/212102505.db2.gz AHXMBWQYVPLIHR-KOLCDFICSA-N 1 0 309.370 1.293 20 5 DDBDRO O=C(NCc1ccccc1[N+](=O)[O-])[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000262203309 203229028 /nfs/dbraw/zinc/22/90/28/203229028.db2.gz NGBZMDFOMLKSRO-XJKSGUPXSA-N 1 0 303.362 1.991 20 5 DDBDRO Cc1nn(CCC(=O)N[C@H]2CC[C@@H]([NH+](C)C)C2)c(C)c1[N+](=O)[O-] ZINC000093797004 193309111 /nfs/dbraw/zinc/30/91/11/193309111.db2.gz KWFURGNEKQCUHR-QWHCGFSZSA-N 1 0 323.397 1.397 20 5 DDBDRO C[N@@H+]1CC[C@H](CNC(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000264611080 204027570 /nfs/dbraw/zinc/02/75/70/204027570.db2.gz IAAVRFQHFXUONI-LLVKDONJSA-N 1 0 309.391 1.755 20 5 DDBDRO CCOC(=O)[C@@](C)(O)C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282509848 217050140 /nfs/dbraw/zinc/05/01/40/217050140.db2.gz RTWNBKWZTNGVGN-HNNXBMFYSA-N 1 0 310.350 1.383 20 5 DDBDRO Cc1cc(S(=O)(=O)N[C@@H](C)CC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000266142783 205132626 /nfs/dbraw/zinc/13/26/26/205132626.db2.gz DABQKSVYOYFNKP-NSHDSACASA-N 1 0 315.395 1.522 20 5 DDBDRO CC(C)[C@H](CCO)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000161701055 197512759 /nfs/dbraw/zinc/51/27/59/197512759.db2.gz SKLCGQDDAZGQMS-HIFRSBDPSA-N 1 0 312.366 1.331 20 5 DDBDRO CC[N@@H+]1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000288397152 220132017 /nfs/dbraw/zinc/13/20/17/220132017.db2.gz LANCHZNUJLCTMQ-LBPRGKRZSA-N 1 0 307.350 1.526 20 5 DDBDRO CC[N@@H+](Cc1ccccc1C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266444642 205350060 /nfs/dbraw/zinc/35/00/60/205350060.db2.gz NLRRXMNCEAWPAB-MRXNPFEDSA-N 1 0 318.377 1.983 20 5 DDBDRO C[N@H+](Cc1ccccc1)C1CN(C(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000288501382 220183863 /nfs/dbraw/zinc/18/38/63/220183863.db2.gz SDMAJRLCCWPNHW-UHFFFAOYSA-N 1 0 315.333 1.274 20 5 DDBDRO C[NH+](C)CCCOC1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000267287901 205957375 /nfs/dbraw/zinc/95/73/75/205957375.db2.gz UQZKTPOBGXVJRU-UHFFFAOYSA-N 1 0 324.381 1.496 20 5 DDBDRO C[C@@H]1CN(CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000270631716 248646102 /nfs/dbraw/zinc/64/61/02/248646102.db2.gz GSXATEOCQCRUSQ-RISCZKNCSA-N 1 0 306.366 1.415 20 5 DDBDRO C[N@@H+]1CC[C@@H](CNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000109992068 194303082 /nfs/dbraw/zinc/30/30/82/194303082.db2.gz DDDVPKPLNAIQRB-ZDUSSCGKSA-N 1 0 320.393 1.855 20 5 DDBDRO COCCN(C)CC[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000061378383 184169632 /nfs/dbraw/zinc/16/96/32/184169632.db2.gz CAXCRUWGNLUDBP-UHFFFAOYSA-N 1 0 301.774 1.916 20 5 DDBDRO Cc1c(C(=O)NC2CC[NH2+]CC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000269105376 207243583 /nfs/dbraw/zinc/24/35/83/207243583.db2.gz JHENJRKRKYQMJO-UHFFFAOYSA-N 1 0 322.321 1.602 20 5 DDBDRO COc1cc(C(=O)N(C)C2CC[NH2+]CC2)cc([N+](=O)[O-])c1OC ZINC000269136998 207268713 /nfs/dbraw/zinc/26/87/13/207268713.db2.gz TUYYRVIPADPIRY-UHFFFAOYSA-N 1 0 323.349 1.436 20 5 DDBDRO COc1cc(C(=O)N2CCCC[C@H]2C[NH3+])cc([N+](=O)[O-])c1OC ZINC000269197679 207318173 /nfs/dbraw/zinc/31/81/73/207318173.db2.gz LYISPOIVLLRIBR-NSHDSACASA-N 1 0 323.349 1.565 20 5 DDBDRO Cc1n[nH]c(C(=O)NCC[NH2+]C2CCCCCC2)c1[N+](=O)[O-] ZINC000269199968 207319043 /nfs/dbraw/zinc/31/90/43/207319043.db2.gz WUZJSSGSWLAQBF-UHFFFAOYSA-N 1 0 309.370 1.669 20 5 DDBDRO CCCc1n[nH]c(C(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)c1[N+](=O)[O-] ZINC000269213845 207334106 /nfs/dbraw/zinc/33/41/06/207334106.db2.gz QFEGMSBOBUZNAP-UWVGGRQHSA-N 1 0 309.370 1.388 20 5 DDBDRO C[C@H](NC(=O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]C1 ZINC000269229312 207350572 /nfs/dbraw/zinc/35/05/72/207350572.db2.gz VMQUUZQUDIXMRQ-NWDGAFQWSA-N 1 0 307.350 1.478 20 5 DDBDRO C[NH+](C)C[C@@H]1CN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CCO1 ZINC000116798135 194772969 /nfs/dbraw/zinc/77/29/69/194772969.db2.gz RUSADUNWBDLOBQ-LQYUOIDQSA-N 1 0 319.361 1.397 20 5 DDBDRO Cc1cc(C)c(S(=O)(=O)N2C[C@H](C)[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000440841502 291821846 /nfs/dbraw/zinc/82/18/46/291821846.db2.gz JBDVQOJNLBZBTJ-WDEREUQCSA-N 1 0 313.379 1.179 20 5 DDBDRO C[NH2+]CCS[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000567809001 304244609 /nfs/dbraw/zinc/24/46/09/304244609.db2.gz FWRNHGXKJOGJQL-SECBINFHSA-N 1 0 313.379 1.883 20 5 DDBDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000352412050 285033485 /nfs/dbraw/zinc/03/34/85/285033485.db2.gz BKPHKYYWYLVOMD-RNCFNFMXSA-N 1 0 313.304 1.877 20 5 DDBDRO C[NH+](C)C[C@@](C)(O)CNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000286283664 218891667 /nfs/dbraw/zinc/89/16/67/218891667.db2.gz RKJHHQJRAGAPOP-LBPRGKRZSA-N 1 0 311.367 1.324 20 5 DDBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CC[NH2+]C1 ZINC000272976745 210358668 /nfs/dbraw/zinc/35/86/68/210358668.db2.gz CLORWTWPUCHIMS-GFCCVEGCSA-N 1 0 306.366 1.513 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000415506733 533141402 /nfs/dbraw/zinc/14/14/02/533141402.db2.gz RVGIHZQLLFCMJQ-NXEZZACHSA-N 1 0 308.338 1.852 20 5 DDBDRO COCCOC1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000294859868 224270355 /nfs/dbraw/zinc/27/03/55/224270355.db2.gz SWWBFAUOAKNFEN-UHFFFAOYSA-N 1 0 324.377 1.897 20 5 DDBDRO CN(CC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccccc1[N+](=O)[O-] ZINC000289941961 221330900 /nfs/dbraw/zinc/33/09/00/221330900.db2.gz WCUKOHRGVHSZGZ-CHWSQXEVSA-N 1 0 318.377 1.099 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000414649830 533225845 /nfs/dbraw/zinc/22/58/45/533225845.db2.gz CMZZLCVXASDYSP-ZJUUUORDSA-N 1 0 308.338 1.804 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCCN(CCCO)C1 ZINC000295022888 224385620 /nfs/dbraw/zinc/38/56/20/224385620.db2.gz CLCBIWRQMZBRJT-HNNXBMFYSA-N 1 0 307.394 1.840 20 5 DDBDRO COC[C@H](C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)OC ZINC000447598994 285378871 /nfs/dbraw/zinc/37/88/71/285378871.db2.gz JIFTYFZXKXPQNC-RWMBFGLXSA-N 1 0 312.370 1.526 20 5 DDBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCC[NH2+]C1 ZINC000423193936 533446408 /nfs/dbraw/zinc/44/64/08/533446408.db2.gz RCQRFWBUISWOOY-WCQYABFASA-N 1 0 306.366 1.654 20 5 DDBDRO CO[C@@H]1COC[C@@H]1[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000459758298 533523036 /nfs/dbraw/zinc/52/30/36/533523036.db2.gz PSZHKZCGNBMOKY-DDTOSNHZSA-N 1 0 323.349 1.315 20 5 DDBDRO COc1cc([N+](=O)[O-])c(C(=O)NC[C@@H](C)C[NH3+])cc1SC ZINC000237190155 286248269 /nfs/dbraw/zinc/24/82/69/286248269.db2.gz OZUATYWPLOYNBV-QMMMGPOBSA-N 1 0 313.379 1.650 20 5 DDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@H]1C[C@@H]1C1CC[NH2+]CC1 ZINC000361099687 299801484 /nfs/dbraw/zinc/80/14/84/299801484.db2.gz WPFCQEOASGKLJR-CABCVRRESA-N 1 0 303.362 1.642 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000068203038 406623458 /nfs/dbraw/zinc/62/34/58/406623458.db2.gz UJBDVVJBXVMRNI-NWDGAFQWSA-N 1 0 323.397 1.336 20 5 DDBDRO CN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000071310230 406837453 /nfs/dbraw/zinc/83/74/53/406837453.db2.gz OFFSKKOAMYOPOX-SECBINFHSA-N 1 0 319.770 1.231 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@@H]([NH3+])C2)cc1C ZINC000021059168 406889672 /nfs/dbraw/zinc/88/96/72/406889672.db2.gz PYRZWFKWHHWKGO-LLVKDONJSA-N 1 0 313.379 1.323 20 5 DDBDRO CCNC(=O)CC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000025916558 406901374 /nfs/dbraw/zinc/90/13/74/406901374.db2.gz MCIYYNMPXONEED-UHFFFAOYSA-N 1 0 306.366 1.243 20 5 DDBDRO O=[N+]([O-])c1ccc(CS(=O)(=O)NC[C@@H]2CCC[NH2+]C2)cc1 ZINC000044502464 407025033 /nfs/dbraw/zinc/02/50/33/407025033.db2.gz NVCQQFLNXDWISD-GFCCVEGCSA-N 1 0 313.379 1.014 20 5 DDBDRO COc1ccc(C[NH2+]CCCS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000038048330 406999745 /nfs/dbraw/zinc/99/97/45/406999745.db2.gz IAADOTRNBQYZIH-UHFFFAOYSA-N 1 0 302.352 1.128 20 5 DDBDRO C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)CC(=O)NC1CC1 ZINC000055899617 407208040 /nfs/dbraw/zinc/20/80/40/407208040.db2.gz FKQDJMHURCQWBS-UHFFFAOYSA-N 1 0 307.350 1.574 20 5 DDBDRO COc1cc(C(=O)NCC(C)(C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000101627605 407313035 /nfs/dbraw/zinc/31/30/35/407313035.db2.gz NVBMCBJYPFQYPI-UHFFFAOYSA-N 1 0 309.366 1.921 20 5 DDBDRO CC[N@@H+]1CC[C@H](CNC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000124708143 407367151 /nfs/dbraw/zinc/36/71/51/407367151.db2.gz IJIFRITWZGZUGH-CQSZACIVSA-N 1 0 305.378 1.985 20 5 DDBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000113196892 407474248 /nfs/dbraw/zinc/47/42/48/407474248.db2.gz XEXCATKZZGNSFQ-GFCCVEGCSA-N 1 0 323.397 1.631 20 5 DDBDRO NC(=O)CC[C@@H]1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000170731159 407483054 /nfs/dbraw/zinc/48/30/54/407483054.db2.gz JLQIOGVKYFKFOT-ZDUSSCGKSA-N 1 0 321.377 1.951 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@H]2CCCC[C@H]2n2cccn2)c1 ZINC000127727557 407457554 /nfs/dbraw/zinc/45/75/54/407457554.db2.gz CCBFOHBPCBFAHI-UONOGXRCSA-N 1 0 304.354 1.761 20 5 DDBDRO Cc1nn(CCC(=O)NCC[NH+]2CCCC2)c(C)c1[N+](=O)[O-] ZINC000171099325 407597203 /nfs/dbraw/zinc/59/72/03/407597203.db2.gz WMYCZPRTGCYUKR-UHFFFAOYSA-N 1 0 309.370 1.010 20 5 DDBDRO Cc1nn(CCC(=O)NCCC[NH+]2CCCC2)c(C)c1[N+](=O)[O-] ZINC000171099194 407598228 /nfs/dbraw/zinc/59/82/28/407598228.db2.gz VPDCDKZJYAVPDL-UHFFFAOYSA-N 1 0 323.397 1.400 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)CC[C@H]1CC[NH2+]C1 ZINC000261895843 407659839 /nfs/dbraw/zinc/65/98/39/407659839.db2.gz XSWAXHHFRRWHID-NSHDSACASA-N 1 0 307.350 1.609 20 5 DDBDRO CN1CCO[C@@H](CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000171287028 407648863 /nfs/dbraw/zinc/64/88/63/407648863.db2.gz IIAZSZALOFHSIS-NSHDSACASA-N 1 0 318.333 1.137 20 5 DDBDRO CN(C(=O)CCCNc1ccc([N+](=O)[O-])cc1)[C@H]1CC[NH2+]C1 ZINC000179099430 407722270 /nfs/dbraw/zinc/72/22/70/407722270.db2.gz KFIVEFJWDFANKI-AWEZNQCLSA-N 1 0 306.366 1.607 20 5 DDBDRO COc1ccc(NC(=O)CN2CCCC[C@H]2CO)c([N+](=O)[O-])c1 ZINC000153097436 407754401 /nfs/dbraw/zinc/75/44/01/407754401.db2.gz HRLPPNHEZOAPKQ-NSHDSACASA-N 1 0 323.349 1.389 20 5 DDBDRO CCOC(=O)C[C@](C)([NH2+]CCn1cc([N+](=O)[O-])cn1)C(C)C ZINC000186720013 407756742 /nfs/dbraw/zinc/75/67/42/407756742.db2.gz GAIADAIYJAJSJK-AWEZNQCLSA-N 1 0 312.370 1.749 20 5 DDBDRO CC(C)[C@](C)(C[NH3+])NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000236638413 407737785 /nfs/dbraw/zinc/73/77/85/407737785.db2.gz PIHFGJFVOFYYLA-HNNXBMFYSA-N 1 0 308.382 1.521 20 5 DDBDRO C[C@@H]1CN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC000179178755 407744827 /nfs/dbraw/zinc/74/48/27/407744827.db2.gz VDEKJCFCRMDAFW-LLVKDONJSA-N 1 0 315.333 1.214 20 5 DDBDRO CC1CCN(c2ccc(C(=O)NCC[NH3+])cc2[N+](=O)[O-])CC1 ZINC000236729976 407765674 /nfs/dbraw/zinc/76/56/74/407765674.db2.gz QDWUWOPBJLGYTE-UHFFFAOYSA-N 1 0 306.366 1.520 20 5 DDBDRO C[NH+](C)[C@H]1CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000153178634 407770718 /nfs/dbraw/zinc/77/07/18/407770718.db2.gz RFKTWNTZGSVFLP-ZDUSSCGKSA-N 1 0 313.379 1.061 20 5 DDBDRO Cn1c(C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000262213419 407767599 /nfs/dbraw/zinc/76/75/99/407767599.db2.gz LTWMUWLYWZICJA-QWHCGFSZSA-N 1 0 314.345 1.500 20 5 DDBDRO CC(C)OC(=O)C[C@@H](NC(=O)CC[NH3+])c1ccccc1[N+](=O)[O-] ZINC000236764046 407769800 /nfs/dbraw/zinc/76/98/00/407769800.db2.gz XGIFFAGAYKIZDR-GFCCVEGCSA-N 1 0 323.349 1.443 20 5 DDBDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000272232700 407828045 /nfs/dbraw/zinc/82/80/45/407828045.db2.gz JYJXBDIBTAVRIM-VXGBXAGGSA-N 1 0 306.366 1.593 20 5 DDBDRO COc1cc(OCC(=O)N2CC[C@H]([C@H](C)[NH3+])C2)ccc1[N+](=O)[O-] ZINC000272266804 407842376 /nfs/dbraw/zinc/84/23/76/407842376.db2.gz NFNATLCEXANPKX-QWRGUYRKSA-N 1 0 323.349 1.178 20 5 DDBDRO [NH3+]CCCCNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000238045474 407874961 /nfs/dbraw/zinc/87/49/61/407874961.db2.gz ZCJBSWLOYJWSRC-UHFFFAOYSA-N 1 0 316.155 1.826 20 5 DDBDRO CCC(CC)(C[NH3+])NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000262584725 407875104 /nfs/dbraw/zinc/87/51/04/407875104.db2.gz UEJMDDOJKTVOBX-UHFFFAOYSA-N 1 0 309.366 1.997 20 5 DDBDRO [NH3+]C1(CNC(=O)CNc2ccccc2[N+](=O)[O-])CCCCC1 ZINC000237826420 407845360 /nfs/dbraw/zinc/84/53/60/407845360.db2.gz JMWHFVQSANUYLD-UHFFFAOYSA-N 1 0 306.366 1.785 20 5 DDBDRO COc1cc(OCC(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)ccc1[N+](=O)[O-] ZINC000153539990 407847433 /nfs/dbraw/zinc/84/74/33/407847433.db2.gz FVIZWEQUGQOGKH-GHMZBOCLSA-N 1 0 323.349 1.191 20 5 DDBDRO [NH3+]C[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000237934490 407851543 /nfs/dbraw/zinc/85/15/43/407851543.db2.gz DLPLUXDXTNCXMI-DTWKUNHWSA-N 1 0 319.408 1.452 20 5 DDBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3c(N)cccc3[N+](=O)[O-])CC[C@@H]21 ZINC000181215048 407967555 /nfs/dbraw/zinc/96/75/55/407967555.db2.gz TYMIEASKASKGFI-AAEUAGOBSA-N 1 0 318.377 1.733 20 5 DDBDRO CC[NH2+][C@H](C)CNS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000262783079 407927708 /nfs/dbraw/zinc/92/77/08/407927708.db2.gz PJLUSRWRJPICTD-LLVKDONJSA-N 1 0 315.395 1.488 20 5 DDBDRO CN(CCC[NH+]1CCN(C)CC1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000174729880 407982641 /nfs/dbraw/zinc/98/26/41/407982641.db2.gz WSVLPAGDAFIWMJ-UHFFFAOYSA-N 1 0 324.400 1.803 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[NH2+][C@@H](C)[C@H]1C ZINC000262809457 407941931 /nfs/dbraw/zinc/94/19/31/407941931.db2.gz XSXFPVSNOJEBLT-WDEREUQCSA-N 1 0 313.379 1.274 20 5 DDBDRO CC[N@H+](C)CCNS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000175092037 408049278 /nfs/dbraw/zinc/04/92/78/408049278.db2.gz UFGDEIRBOLVBEN-UHFFFAOYSA-N 1 0 315.395 1.442 20 5 DDBDRO COc1cc(C[NH2+][C@@H]2C[C@H](O)C2(C)C)c([N+](=O)[O-])cc1OC ZINC000189349497 408007763 /nfs/dbraw/zinc/00/77/63/408007763.db2.gz SCGOMUBRHJZLAY-KGLIPLIRSA-N 1 0 310.350 1.861 20 5 DDBDRO CC1CC[NH+](CCCCNC(=O)c2[nH]ncc2[N+](=O)[O-])CC1 ZINC000136162145 408084133 /nfs/dbraw/zinc/08/41/33/408084133.db2.gz MIJHMEKOLATQLI-UHFFFAOYSA-N 1 0 309.370 1.560 20 5 DDBDRO CC1CC[NH+](CC(=O)NCCc2ccccc2[N+](=O)[O-])CC1 ZINC000268539398 408090139 /nfs/dbraw/zinc/09/01/39/408090139.db2.gz SKAWIKAUHJPBNB-UHFFFAOYSA-N 1 0 305.378 1.985 20 5 DDBDRO CC(C)[NH+]1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000182206808 408094010 /nfs/dbraw/zinc/09/40/10/408094010.db2.gz QYMVZDBYNQHBEN-AWEZNQCLSA-N 1 0 323.393 1.361 20 5 DDBDRO CC1(C)CN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC[NH2+]1 ZINC000175397769 408121581 /nfs/dbraw/zinc/12/15/81/408121581.db2.gz PGLQBXXTKQNAFS-UHFFFAOYSA-N 1 0 302.334 1.900 20 5 DDBDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1cnn(C)c1 ZINC000273425651 408193817 /nfs/dbraw/zinc/19/38/17/408193817.db2.gz WKXCVILJHWMMLV-DGCLKSJQSA-N 1 0 320.349 1.419 20 5 DDBDRO CCc1n[nH]c(C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000175444906 408133171 /nfs/dbraw/zinc/13/31/71/408133171.db2.gz ATXCHLFKKPOIFI-NXEZZACHSA-N 1 0 309.370 1.483 20 5 DDBDRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000151263371 408285528 /nfs/dbraw/zinc/28/55/28/408285528.db2.gz YKOPIYRYUANKRR-OAHLLOKOSA-N 1 0 320.393 1.805 20 5 DDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1F)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000134141522 162071846 /nfs/dbraw/zinc/07/18/46/162071846.db2.gz ZNCDXYRYLWYEOQ-NSHDSACASA-N 1 0 321.352 1.877 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000172172671 162262039 /nfs/dbraw/zinc/26/20/39/162262039.db2.gz BTTTXDGTUGSPLV-LLVKDONJSA-N 1 0 307.350 1.627 20 5 DDBDRO C[NH+]1CCC(CCNC(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000173385918 162335881 /nfs/dbraw/zinc/33/58/81/162335881.db2.gz FEVLTMBJNXHGHO-UHFFFAOYSA-N 1 0 305.378 1.985 20 5 DDBDRO COc1cc(C[N@H+](C)CC2CC(O)C2)c([N+](=O)[O-])cc1OC ZINC000191168115 408381441 /nfs/dbraw/zinc/38/14/41/408381441.db2.gz BQAXRCAAJSNJIG-UHFFFAOYSA-N 1 0 310.350 1.815 20 5 DDBDRO C[C@H]1CC(O)C[C@H](C)[NH+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000191190304 408383964 /nfs/dbraw/zinc/38/39/64/408383964.db2.gz ARTFGOJESFOSBV-OBJOEFQTSA-N 1 0 324.377 1.568 20 5 DDBDRO CC[NH+](CC)CCNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000183624129 408455725 /nfs/dbraw/zinc/45/57/25/408455725.db2.gz ANLBPHCLRFYUQK-UHFFFAOYSA-N 1 0 309.322 1.395 20 5 DDBDRO CCC[C@@H]([NH2+]CC(=O)N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000183364753 408390218 /nfs/dbraw/zinc/39/02/18/408390218.db2.gz SPTGASQTNPMQNK-OAHLLOKOSA-N 1 0 321.377 1.884 20 5 DDBDRO C[C@H](O)C[N@@H+]1CCN(CCc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000247377978 408459332 /nfs/dbraw/zinc/45/93/32/408459332.db2.gz VOFRVNBOCMZUAN-KGLIPLIRSA-N 1 0 307.394 1.524 20 5 DDBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000176612728 408404218 /nfs/dbraw/zinc/40/42/18/408404218.db2.gz AKEUCSWDNHJMHS-NSHDSACASA-N 1 0 306.366 1.781 20 5 DDBDRO C[NH2+][C@H]1CCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000160668239 408509800 /nfs/dbraw/zinc/50/98/00/408509800.db2.gz SIEFYAJBVGDTEI-NSHDSACASA-N 1 0 315.333 1.214 20 5 DDBDRO C[C@@H]1CCC[C@@H](CO)[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000270421240 408528122 /nfs/dbraw/zinc/52/81/22/408528122.db2.gz GDVVUGMASBDFLJ-MFKMUULPSA-N 1 0 307.350 1.429 20 5 DDBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000176890828 408466598 /nfs/dbraw/zinc/46/65/98/408466598.db2.gz YVDQMDFLVXKOKE-OAHLLOKOSA-N 1 0 323.393 1.610 20 5 DDBDRO Cc1cc(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000160312014 408470121 /nfs/dbraw/zinc/47/01/21/408470121.db2.gz BCNQLKJUZSUPMB-CQSZACIVSA-N 1 0 321.377 1.480 20 5 DDBDRO CS[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1[NH+](C)C ZINC000270518193 408560249 /nfs/dbraw/zinc/56/02/49/408560249.db2.gz SHGLMNZYYQTNOH-STQMWFEESA-N 1 0 309.391 1.712 20 5 DDBDRO CCN1CC[NH+](C[C@@H](C)CNc2nccc(C)c2[N+](=O)[O-])CC1 ZINC000265188575 408573286 /nfs/dbraw/zinc/57/32/86/408573286.db2.gz KFGYOVYWWKQZHJ-ZDUSSCGKSA-N 1 0 321.425 1.984 20 5 DDBDRO C[C@@H]1CN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@@H]1[NH+](C)C ZINC000270553856 408578052 /nfs/dbraw/zinc/57/80/52/408578052.db2.gz CEAULLYODWVWCR-DOMZBBRYSA-N 1 0 320.393 1.440 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000161376686 408595378 /nfs/dbraw/zinc/59/53/78/408595378.db2.gz NAXHEGIHZWVMBD-FOSCPWQOSA-N 1 0 304.350 1.653 20 5 DDBDRO COCC[N@@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000264609583 408540464 /nfs/dbraw/zinc/54/04/64/408540464.db2.gz ZDAMVITUNCKZRT-CYBMUJFWSA-N 1 0 307.350 1.354 20 5 DDBDRO CC(C)OC(=O)C[C@@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000184498486 408630188 /nfs/dbraw/zinc/63/01/88/408630188.db2.gz OCSHAEYGQLDDFB-ZDUSSCGKSA-N 1 0 324.381 1.845 20 5 DDBDRO CC[N@H+](CCO)CCNCc1cc([N+](=O)[O-])ccc1Cl ZINC000184544036 408640768 /nfs/dbraw/zinc/64/07/68/408640768.db2.gz PPCUTFMEGSDKDW-UHFFFAOYSA-N 1 0 301.774 1.652 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H](C[NH3+])C2)c1C ZINC000178908289 162700661 /nfs/dbraw/zinc/70/06/61/162700661.db2.gz UFDPNDXZDCHYOV-NSHDSACASA-N 1 0 313.379 1.181 20 5 DDBDRO Cn1c(Sc2ncccc2[N+](=O)[O-])nnc1[C@@H]1CCC[NH2+]C1 ZINC000265439458 408653119 /nfs/dbraw/zinc/65/31/19/408653119.db2.gz HZDFBOYWWIKZAT-SECBINFHSA-N 1 0 320.378 1.737 20 5 DDBDRO C[C@@H](O)C[N@@H+]1CCN(CCOc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000192820570 408656564 /nfs/dbraw/zinc/65/65/64/408656564.db2.gz HFDYUOJMAWLYAP-ZIAGYGMSSA-N 1 0 323.393 1.361 20 5 DDBDRO C[C@@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000162632848 408721188 /nfs/dbraw/zinc/72/11/88/408721188.db2.gz ABDTVZOOSJDCNS-DYEKYZERSA-N 1 0 310.350 1.349 20 5 DDBDRO Cn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)n1 ZINC000270781354 408679105 /nfs/dbraw/zinc/67/91/05/408679105.db2.gz KDFTXSWPYINPDK-GFCCVEGCSA-N 1 0 321.381 1.276 20 5 DDBDRO NC(=O)[C@H]1CCCC[C@H]1[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000184790783 408691622 /nfs/dbraw/zinc/69/16/22/408691622.db2.gz KXIZSDHCPFEATD-UONOGXRCSA-N 1 0 307.350 1.607 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CCC3OCCO3)CC2)cc1 ZINC000185319978 408794117 /nfs/dbraw/zinc/79/41/17/408794117.db2.gz AOBJENLWWPVMKJ-UHFFFAOYSA-N 1 0 307.350 1.480 20 5 DDBDRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)COc3cccc([N+](=O)[O-])c3)C[C@@H]12 ZINC000185067919 408749679 /nfs/dbraw/zinc/74/96/79/408749679.db2.gz SKBVMJARGUXAIV-ZLKJLUDKSA-N 1 0 305.334 1.169 20 5 DDBDRO Cc1noc([C@@H]2CCCN2CCn2cc([N+](=O)[O-])ccc2=O)n1 ZINC000285696901 408844182 /nfs/dbraw/zinc/84/41/82/408844182.db2.gz OVDRSYDIQLZEPH-LBPRGKRZSA-N 1 0 319.321 1.285 20 5 DDBDRO O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)c1cc([N+](=O)[O-])n[nH]1 ZINC000286072320 408918179 /nfs/dbraw/zinc/91/81/79/408918179.db2.gz VHIPUAMACQNBNY-LBPRGKRZSA-N 1 0 321.381 1.845 20 5 DDBDRO Cc1cc(OCC(=O)N2[C@H](C)C[NH+](C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000281760359 408925535 /nfs/dbraw/zinc/92/55/35/408925535.db2.gz SMXPQEIQVYPGGT-CHWSQXEVSA-N 1 0 321.377 1.833 20 5 DDBDRO C[N@H+]1C[C@H]2CN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3)C[C@H]2C1 ZINC000192496903 163225597 /nfs/dbraw/zinc/22/55/97/163225597.db2.gz QWUQCDVWTPLAAR-PHIMTYICSA-N 1 0 309.753 1.882 20 5 DDBDRO CN1CCCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000192850358 163240024 /nfs/dbraw/zinc/24/00/24/163240024.db2.gz KVVIHGPJPLQFQT-UHFFFAOYSA-N 1 0 313.379 1.062 20 5 DDBDRO COC(=O)c1cc(C)nc(NC[C@@H](C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000291958448 408952845 /nfs/dbraw/zinc/95/28/45/408952845.db2.gz VBAGQYFYJUXYAR-SECBINFHSA-N 1 0 310.354 1.694 20 5 DDBDRO C[N@H+](C[C@@H](O)CNC(C)(C)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000292080319 408976065 /nfs/dbraw/zinc/97/60/65/408976065.db2.gz FOFQSUXVXIFLNR-ZDUSSCGKSA-N 1 0 307.394 1.875 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@H]2CCO[C@@H](C(F)(F)F)C2)c1 ZINC000287311933 409018034 /nfs/dbraw/zinc/01/80/34/409018034.db2.gz CYYSMZCOMLRFQY-PSASIEDQSA-N 1 0 308.260 1.491 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N(C)CCC[NH+]2CCCC2)n1 ZINC000287651327 409071119 /nfs/dbraw/zinc/07/11/19/409071119.db2.gz IDXZGWPBFCTPPI-UHFFFAOYSA-N 1 0 322.365 1.699 20 5 DDBDRO COCC[N@@H+]1CCCN(C(=O)c2c(C)cccc2[N+](=O)[O-])CC1 ZINC000278182305 409075832 /nfs/dbraw/zinc/07/58/32/409075832.db2.gz QWQSZWULQJQCFL-UHFFFAOYSA-N 1 0 321.377 1.698 20 5 DDBDRO Cc1ccc(NC(=O)c2cc([C@@H]3CC[NH2+]C3)[nH]n2)cc1[N+](=O)[O-] ZINC000279106287 409149528 /nfs/dbraw/zinc/14/95/28/409149528.db2.gz XUDXOPPHUOXXSZ-SNVBAGLBSA-N 1 0 315.333 1.956 20 5 DDBDRO C[N@H+]1C[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])c(Cl)c3)C[C@H]2C1 ZINC000279194208 409168132 /nfs/dbraw/zinc/16/81/32/409168132.db2.gz KKQRJSWXPFZLMK-PHIMTYICSA-N 1 0 309.753 1.882 20 5 DDBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N[C@H](C)CN1CCOCC1 ZINC000283575631 409179026 /nfs/dbraw/zinc/17/90/26/409179026.db2.gz ONENDNKOSUEWEL-LLVKDONJSA-N 1 0 307.350 1.930 20 5 DDBDRO C[C@H](CNC(=O)COc1ccc([N+](=O)[O-])c(F)c1)C[NH+](C)C ZINC000294013891 409225350 /nfs/dbraw/zinc/22/53/50/409225350.db2.gz ZSPIAHMUKCEWNU-SNVBAGLBSA-N 1 0 313.329 1.427 20 5 DDBDRO C[C@@H]([NH2+]CCN1CCOCC1(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284115879 409277856 /nfs/dbraw/zinc/27/78/56/409277856.db2.gz NNSOWJVKYUMNNH-GFCCVEGCSA-N 1 0 322.409 1.938 20 5 DDBDRO C[C@@H]1C[C@@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000262876052 163887665 /nfs/dbraw/zinc/88/76/65/163887665.db2.gz MWRMMWOAIQMUNM-NEPJUHHUSA-N 1 0 307.350 1.620 20 5 DDBDRO O=[N+]([O-])c1cc(Cl)cnc1NCC[NH+]1CCC(O)CC1 ZINC000295991408 409394296 /nfs/dbraw/zinc/39/42/96/409394296.db2.gz LYRYNUIUBWGUTM-UHFFFAOYSA-N 1 0 300.746 1.512 20 5 DDBDRO C[NH2+]Cc1ccc(NC(=O)CCn2cc([N+](=O)[O-])nc2C)cc1 ZINC000295162444 409351294 /nfs/dbraw/zinc/35/12/94/409351294.db2.gz DZGIOSQIQNVPAJ-UHFFFAOYSA-N 1 0 317.349 1.848 20 5 DDBDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000285240757 409404921 /nfs/dbraw/zinc/40/49/21/409404921.db2.gz YTCZNHNAMAGKDY-GMTAPVOTSA-N 1 0 309.370 1.414 20 5 DDBDRO C[C@H]([NH2+]CCN1CCC(O)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000296044767 409411592 /nfs/dbraw/zinc/41/15/92/409411592.db2.gz UQTJJBMHZVJXME-NSHDSACASA-N 1 0 308.382 1.284 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)n1 ZINC000296079293 409421142 /nfs/dbraw/zinc/42/11/42/409421142.db2.gz SJECWKPHFWJAIH-FGWVZKOKSA-N 1 0 320.349 1.814 20 5 DDBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCN2CCO[C@H]1C2 ZINC000295307461 409424033 /nfs/dbraw/zinc/42/40/33/409424033.db2.gz FSZXYKGUUZMDTI-CVEARBPZSA-N 1 0 321.377 1.379 20 5 DDBDRO C[C@H]([NH2+]C[C@H](CO)[C@@H]1CCOC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285458178 409451995 /nfs/dbraw/zinc/45/19/95/409451995.db2.gz ZUTSFWIJZRAODW-CYZMBNFOSA-N 1 0 309.366 1.473 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H](C)CCCC[NH3+] ZINC000313917744 164012484 /nfs/dbraw/zinc/01/24/84/164012484.db2.gz AHUVCSPQYHLSNE-NSHDSACASA-N 1 0 315.395 1.699 20 5 DDBDRO CNc1c(C(=O)NC[C@@H](C)[N@H+](C)C2CC2)cccc1[N+](=O)[O-] ZINC000318614215 164032824 /nfs/dbraw/zinc/03/28/24/164032824.db2.gz JBPICLVSDFZJQV-SNVBAGLBSA-N 1 0 306.366 1.849 20 5 DDBDRO C[N@H+](C[C@H](O)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1)C1CC1 ZINC000324174992 164050191 /nfs/dbraw/zinc/05/01/91/164050191.db2.gz WFYGKBDOCUKSOM-AWEZNQCLSA-N 1 0 317.349 1.308 20 5 DDBDRO C[C@@H](CCNC(=O)c1cc([N+](=O)[O-])nn1C)[NH+]1CCCCC1 ZINC000356741012 409562931 /nfs/dbraw/zinc/56/29/31/409562931.db2.gz IFYNQUWCLWAEHT-NSHDSACASA-N 1 0 309.370 1.323 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NC1(CCO)CC[NH+](C)CC1 ZINC000354151150 409698688 /nfs/dbraw/zinc/69/86/88/409698688.db2.gz WESAYLRRVGWRLQ-UHFFFAOYSA-N 1 0 321.377 1.480 20 5 DDBDRO Cn1cncc1C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000331668207 409749710 /nfs/dbraw/zinc/74/97/10/409749710.db2.gz UECADFFZUDNNAJ-OLZOCXBDSA-N 1 0 304.354 1.798 20 5 DDBDRO Cc1nccn1CC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000342604859 409760443 /nfs/dbraw/zinc/76/04/43/409760443.db2.gz FXKTZMKAVIHLED-ZDUSSCGKSA-N 1 0 316.365 1.681 20 5 DDBDRO C[C@@H]1CCC[C@H](CC[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000316187113 409853434 /nfs/dbraw/zinc/85/34/34/409853434.db2.gz KVOMKHOMYWJJSH-NFAWXSAZSA-N 1 0 310.398 1.958 20 5 DDBDRO Cn1c(C(=O)N2CC[NH2+]C[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000313365023 409807263 /nfs/dbraw/zinc/80/72/63/409807263.db2.gz VHQBTKSCJXIZPO-CQSZACIVSA-N 1 0 314.345 1.720 20 5 DDBDRO C[C@H]1[C@@H](Nc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CCC[N@@H+]1C ZINC000342829722 409930995 /nfs/dbraw/zinc/93/09/95/409930995.db2.gz FZSGAHHQWCSJPU-CABZTGNLSA-N 1 0 317.349 2.138 20 5 DDBDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)Nc3ccncc3[N+](=O)[O-])C2)C1 ZINC000297883129 410037565 /nfs/dbraw/zinc/03/75/65/410037565.db2.gz VYUGSGFDBIFBLQ-HNNXBMFYSA-N 1 0 319.365 1.939 20 5 DDBDRO COc1c(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cccc1[N+](=O)[O-] ZINC000332309873 410057829 /nfs/dbraw/zinc/05/78/29/410057829.db2.gz XCILZTUMELFCTK-QWHCGFSZSA-N 1 0 319.361 1.960 20 5 DDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC[N@H+](C)CC1 ZINC000298628173 410321840 /nfs/dbraw/zinc/32/18/40/410321840.db2.gz GUCYLDYTFBQEOG-GFCCVEGCSA-N 1 0 306.366 1.559 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[N@H+](C)[C@@H]1C ZINC000343432244 410448570 /nfs/dbraw/zinc/44/85/70/410448570.db2.gz KLEQWZGKIDVONH-MFKMUULPSA-N 1 0 307.350 1.816 20 5 DDBDRO C[N@@H+]1CCCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 ZINC000299098840 410522208 /nfs/dbraw/zinc/52/22/08/410522208.db2.gz PZKORPBSGAPPDF-UHFFFAOYSA-N 1 0 302.334 1.854 20 5 DDBDRO CC[C@@H](C)[N@H+](CCO)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000347480434 410576223 /nfs/dbraw/zinc/57/62/23/410576223.db2.gz RCPNUUPTIDFHAB-OLZOCXBDSA-N 1 0 312.366 1.427 20 5 DDBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000343583283 410551758 /nfs/dbraw/zinc/55/17/58/410551758.db2.gz YGRYMVDBIFJLKQ-ZDUSSCGKSA-N 1 0 321.377 1.964 20 5 DDBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000301552007 410745997 /nfs/dbraw/zinc/74/59/97/410745997.db2.gz QTWSUFVOXZSBSF-AWEZNQCLSA-N 1 0 308.382 1.803 20 5 DDBDRO C[C@H]1CCCC[N@@H+]1CCNc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000301947445 410837127 /nfs/dbraw/zinc/83/71/27/410837127.db2.gz YALMSGCNRAFHPW-NSHDSACASA-N 1 0 304.354 1.924 20 5 DDBDRO CCC[N@@H+]1CCC[C@H]1CNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000343952820 410844576 /nfs/dbraw/zinc/84/45/76/410844576.db2.gz BQQWCTUQONNCHW-JTQLQIEISA-N 1 0 307.354 1.375 20 5 DDBDRO COC(=O)[C@H]1CCCC[C@@]1(C)[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000330663986 410858300 /nfs/dbraw/zinc/85/83/00/410858300.db2.gz FPKRQKBJCQYOQA-QMTHXVAHSA-N 1 0 310.354 1.540 20 5 DDBDRO C[C@H]1C[N@H+](C)CCN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000330667351 410863920 /nfs/dbraw/zinc/86/39/20/410863920.db2.gz IUQOJZKRNTXDDC-LBPRGKRZSA-N 1 0 306.366 1.559 20 5 DDBDRO COC(=O)c1cnc(N2CC[C@@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000302792264 410866270 /nfs/dbraw/zinc/86/62/70/410866270.db2.gz ZJJZUQNRHIJLJV-GFCCVEGCSA-N 1 0 320.349 1.451 20 5 DDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000344055657 410922979 /nfs/dbraw/zinc/92/29/79/410922979.db2.gz KUSVPNXLTQARLO-BAESOJJISA-N 1 0 319.361 1.625 20 5 DDBDRO CC(C)[C@@](C)(CO)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000352916812 167500745 /nfs/dbraw/zinc/50/07/45/167500745.db2.gz RMRIZSINZZXELB-DZGCQCFKSA-N 1 0 312.366 1.331 20 5 DDBDRO C[C@@H]([NH2+]CCCS(=O)(=O)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000341581489 411048756 /nfs/dbraw/zinc/04/87/56/411048756.db2.gz AMODLUHBMNQIKF-LLVKDONJSA-N 1 0 315.395 1.527 20 5 DDBDRO CC[N@H+](C)CCN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353494857 411031120 /nfs/dbraw/zinc/03/11/20/411031120.db2.gz GHELZFQKHSRGEV-HNNXBMFYSA-N 1 0 317.393 1.959 20 5 DDBDRO CN(C(=O)C[N@H+](C)[C@@H](CO)C(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000134398703 196386275 /nfs/dbraw/zinc/38/62/75/196386275.db2.gz JXSVOWXRCXRIDS-AWEZNQCLSA-N 1 0 323.393 1.896 20 5 DDBDRO CC[C@H](C)[N@H+](C)CCNC(=O)c1ccnc(NC)c1[N+](=O)[O-] ZINC000520780149 416976276 /nfs/dbraw/zinc/97/62/76/416976276.db2.gz FSJVPJRHOPMGMV-JTQLQIEISA-N 1 0 309.370 1.492 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000417183645 225236079 /nfs/dbraw/zinc/23/60/79/225236079.db2.gz QDCMRUDMRYURJO-NWDGAFQWSA-N 1 0 322.365 1.673 20 5 DDBDRO C[C@H]1CN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC[C@H]1[NH3+] ZINC000417238391 225261151 /nfs/dbraw/zinc/26/11/51/225261151.db2.gz YKXZBVLFPJASDR-SMDDNHRTSA-N 1 0 306.366 1.516 20 5 DDBDRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1CCOc1ccccc1[N+](=O)[O-] ZINC000419335000 226121970 /nfs/dbraw/zinc/12/19/70/226121970.db2.gz VYAZMLAXPPUEJS-ZIAGYGMSSA-N 1 0 323.393 1.361 20 5 DDBDRO Cc1ccc(NC(=O)C(=O)NCC2([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000419816163 226382537 /nfs/dbraw/zinc/38/25/37/226382537.db2.gz QFQNKAHUSYXUFR-UHFFFAOYSA-N 1 0 320.349 1.052 20 5 DDBDRO CON1CCC([NH2+][C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000421205143 226681630 /nfs/dbraw/zinc/68/16/30/226681630.db2.gz GSPIFLSQICMMNO-LLVKDONJSA-N 1 0 322.365 1.537 20 5 DDBDRO CON1CCC([NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000421209700 226682059 /nfs/dbraw/zinc/68/20/59/226682059.db2.gz OVVCUGBBZPYYBS-LLVKDONJSA-N 1 0 322.365 1.537 20 5 DDBDRO CC1(C)C[N@H+](CCn2cc([N+](=O)[O-])cn2)C[C@@]2(CCCOC2)O1 ZINC000373809448 418462441 /nfs/dbraw/zinc/46/24/41/418462441.db2.gz JENQDCOINKARCE-OAHLLOKOSA-N 1 0 324.381 1.451 20 5 DDBDRO C[C@@H](O)C[N@@H+]1CCN(Cc2c(F)cccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000189558593 222047427 /nfs/dbraw/zinc/04/74/27/222047427.db2.gz AKILFUQAIZUYFN-NWDGAFQWSA-N 1 0 311.357 1.621 20 5 DDBDRO CNc1ncnc2c1cnn2CCOc1ccc([N+](=O)[O-])cc1 ZINC000194430820 222175924 /nfs/dbraw/zinc/17/59/24/222175924.db2.gz UOIVZEJRADGTGE-UHFFFAOYSA-N 1 0 314.305 1.855 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)NCc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000375025228 418590477 /nfs/dbraw/zinc/59/04/77/418590477.db2.gz YNFVPYGAQJSDTH-UKRRQHHQSA-N 1 0 318.377 1.830 20 5 DDBDRO COc1ccc(CN2CC[C@@H](n3cncn3)C2)cc1[N+](=O)[O-] ZINC000375331649 418630196 /nfs/dbraw/zinc/63/01/96/418630196.db2.gz IUSWRMIFSWAVQI-GFCCVEGCSA-N 1 0 303.322 1.642 20 5 DDBDRO [NH3+][C@@H]1CCC[C@H](C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000346284215 418637546 /nfs/dbraw/zinc/63/75/46/418637546.db2.gz MFJMEQMDYXMQOU-DTWKUNHWSA-N 1 0 303.322 1.927 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@@H](Cc3ccncc3)C2)c1 ZINC000368138689 418695431 /nfs/dbraw/zinc/69/54/31/418695431.db2.gz KJLVTPWBKGNQCR-AWEZNQCLSA-N 1 0 301.350 1.751 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)C1(C[NH3+])CCC1 ZINC000385328909 418736731 /nfs/dbraw/zinc/73/67/31/418736731.db2.gz PORQIFZQVAASHF-UHFFFAOYSA-N 1 0 313.379 1.405 20 5 DDBDRO CC1(C)CCC(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000390093552 418752919 /nfs/dbraw/zinc/75/29/19/418752919.db2.gz WKZGEYOJFJMRMF-AWEZNQCLSA-N 1 0 310.398 1.958 20 5 DDBDRO Cc1ccc([C@@H](C)NC(=O)N2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000417853382 419354682 /nfs/dbraw/zinc/35/46/82/419354682.db2.gz PBLGWIDMXPMHOP-GFCCVEGCSA-N 1 0 306.366 1.969 20 5 DDBDRO CC(=O)N[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000420961016 419388399 /nfs/dbraw/zinc/38/83/99/419388399.db2.gz SCKCXUKQBYWHBT-GFCCVEGCSA-N 1 0 320.349 1.134 20 5 DDBDRO [NH3+]CC1CCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 ZINC000417929365 419394680 /nfs/dbraw/zinc/39/46/80/419394680.db2.gz AAIUOSYMEKPDAB-UHFFFAOYSA-N 1 0 306.366 1.518 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@@H](C3CCCC3)C2)c1 ZINC000420966308 419387383 /nfs/dbraw/zinc/38/73/83/419387383.db2.gz VBLOFDOAZGSXIY-UKRRQHHQSA-N 1 0 308.382 1.664 20 5 DDBDRO Cc1ccc(CN2C[C@@H](C)[N@@H+](CCO)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000418112745 419541217 /nfs/dbraw/zinc/54/12/17/419541217.db2.gz LNOXLYBBJPMREP-KGLIPLIRSA-N 1 0 307.394 1.790 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](CO)[C@H]1CCCOC1 ZINC000411991889 419548218 /nfs/dbraw/zinc/54/82/18/419548218.db2.gz YMMBJGMKIQLKSO-FZMZJTMJSA-N 1 0 310.350 1.481 20 5 DDBDRO C[C@H](NC(=O)N[C@@H]1C[NH2+]CC[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000418228896 419631970 /nfs/dbraw/zinc/63/19/70/419631970.db2.gz FLWODLRBGZPHPF-UHIISALHSA-N 1 0 306.366 1.953 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CC[N@H+](CC)[C@H](C)C2)n1 ZINC000427844434 419750530 /nfs/dbraw/zinc/75/05/30/419750530.db2.gz CUKBEFAKMNOQFE-VXGBXAGGSA-N 1 0 323.397 1.756 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000430940820 228983628 /nfs/dbraw/zinc/98/36/28/228983628.db2.gz RLBKQSAMUHRPIX-RYUDHWBXSA-N 1 0 306.366 1.524 20 5 DDBDRO C[C@@H]1C[C@H](NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000418611625 419899227 /nfs/dbraw/zinc/89/92/27/419899227.db2.gz VCOBRPAQBKSBFP-TZMCWYRMSA-N 1 0 320.393 1.919 20 5 DDBDRO COc1ccc(OCCN(C2CC2)[C@@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000435244060 229366247 /nfs/dbraw/zinc/36/62/47/229366247.db2.gz ZAMSIDZNWDMAKE-CYBMUJFWSA-N 1 0 321.377 1.809 20 5 DDBDRO C[C@H]1CCCN(C(=O)CCOc2ccccc2[N+](=O)[O-])[C@@H]1C[NH3+] ZINC000429140330 419975004 /nfs/dbraw/zinc/97/50/04/419975004.db2.gz GTCNIIKCQLVTHY-GXTWGEPZSA-N 1 0 321.377 1.950 20 5 DDBDRO C[C@H]1CCCN(C(=O)CCOc2ccccc2[N+](=O)[O-])[C@H]1C[NH3+] ZINC000429140337 419976799 /nfs/dbraw/zinc/97/67/99/419976799.db2.gz GTCNIIKCQLVTHY-JSGCOSHPSA-N 1 0 321.377 1.950 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CCC([NH3+])CC1 ZINC000415261842 419999293 /nfs/dbraw/zinc/99/92/93/419999293.db2.gz DXHZSXLWIWXFBU-UHFFFAOYSA-N 1 0 320.349 1.100 20 5 DDBDRO COc1cc(C(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)cc([N+](=O)[O-])c1C ZINC000423453083 420053284 /nfs/dbraw/zinc/05/32/84/420053284.db2.gz IVFCRQNZFVNLJK-CYBMUJFWSA-N 1 0 319.361 1.878 20 5 DDBDRO COc1ccc(NC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)cc1[N+](=O)[O-] ZINC000415439119 420066060 /nfs/dbraw/zinc/06/60/60/420066060.db2.gz MOELYIHWMIYEMB-AOOOYVTPSA-N 1 0 306.322 1.287 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[NH2+][C@@H]2C)c1 ZINC000423601274 420094237 /nfs/dbraw/zinc/09/42/37/420094237.db2.gz GLCUNPFTCWCKEM-ZWNOBZJWSA-N 1 0 307.350 1.864 20 5 DDBDRO CC(C)[C@@H](C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[C@H](C)[NH3+] ZINC000423724179 420142097 /nfs/dbraw/zinc/14/20/97/420142097.db2.gz MHEQNWOHNSEKNN-QPUJVOFHSA-N 1 0 305.338 2.029 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N(CCC[NH3+])CC1CCCC1 ZINC000423646408 420111714 /nfs/dbraw/zinc/11/17/14/420111714.db2.gz PLSTTYHVLKSWJP-UHFFFAOYSA-N 1 0 309.370 1.310 20 5 DDBDRO COC(=O)c1cc(NC(=O)N[C@H]2CC[NH2+]C2)c(C)c([N+](=O)[O-])c1 ZINC000415598080 420120707 /nfs/dbraw/zinc/12/07/07/420120707.db2.gz KCXFWHGDFGJAHX-JTQLQIEISA-N 1 0 322.321 1.173 20 5 DDBDRO CCc1cc(N[C@H]2CC[NH2+]C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000420134778 420128477 /nfs/dbraw/zinc/12/84/77/420128477.db2.gz FZANTXFVZZPLSO-ZDUSSCGKSA-N 1 0 313.361 1.810 20 5 DDBDRO CC(C)[C@@H](C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[C@@H](C)[NH3+] ZINC000423724178 420142962 /nfs/dbraw/zinc/14/29/62/420142962.db2.gz MHEQNWOHNSEKNN-PRHODGIISA-N 1 0 305.338 2.029 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000415650481 420135632 /nfs/dbraw/zinc/13/56/32/420135632.db2.gz FNSZODDLXFPBTG-SNVBAGLBSA-N 1 0 308.338 1.949 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](C)C[NH2+]C ZINC000415666091 420140711 /nfs/dbraw/zinc/14/07/11/420140711.db2.gz WITZCMKHPFEALD-JTQLQIEISA-N 1 0 310.354 1.971 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)C1(CCO)CCOCC1 ZINC000430226462 420091989 /nfs/dbraw/zinc/09/19/89/420091989.db2.gz MWJQDAJJQUMGRK-UHFFFAOYSA-N 1 0 324.377 1.967 20 5 DDBDRO CN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1(C[NH3+])CCC1 ZINC000420322348 420207695 /nfs/dbraw/zinc/20/76/95/420207695.db2.gz DUBGZCAAGRIKMQ-UHFFFAOYSA-N 1 0 317.349 1.958 20 5 DDBDRO Cc1c(NC(=O)CCN2C[C@@H](C)[NH2+][C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000430931155 420210689 /nfs/dbraw/zinc/21/06/89/420210689.db2.gz VIBAGJUJJSTZAN-TXEJJXNPSA-N 1 0 320.393 1.914 20 5 DDBDRO Cc1c(NC(=O)CC[NH2+][C@](C)(CN)C2CC2)cccc1[N+](=O)[O-] ZINC000430579010 420144866 /nfs/dbraw/zinc/14/48/66/420144866.db2.gz PZFQLSYTTNJQDS-MRXNPFEDSA-N 1 0 320.393 1.949 20 5 DDBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000420330691 420215359 /nfs/dbraw/zinc/21/53/59/420215359.db2.gz LNYSJIQWYPUKCL-XHDPSFHLSA-N 1 0 324.356 1.555 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[NH2+]CC1 ZINC000430636752 420167770 /nfs/dbraw/zinc/16/77/70/420167770.db2.gz JQQSAURONMLLHB-UHFFFAOYSA-N 1 0 306.366 1.527 20 5 DDBDRO CCOC(=O)c1ccnc(N2CC[C@@H](C)C[C@@H]2C[NH3+])c1[N+](=O)[O-] ZINC000420254596 420169383 /nfs/dbraw/zinc/16/93/83/420169383.db2.gz DOTCKYKSYMAQNU-GHMZBOCLSA-N 1 0 322.365 1.730 20 5 DDBDRO [NH3+][C@@H]1CCC[C@@H](CNc2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000420274327 420177420 /nfs/dbraw/zinc/17/74/20/420177420.db2.gz FNLBYTXGPRFMDA-GHMZBOCLSA-N 1 0 301.350 2.467 20 5 DDBDRO CN1CC[NH2+]C[C@@H]1CNc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000420282427 420180854 /nfs/dbraw/zinc/18/08/54/420180854.db2.gz WPRQAKWBTOXCPF-SNVBAGLBSA-N 1 0 316.308 1.512 20 5 DDBDRO COc1ccc(NC(=O)CCN2CC[NH2+][C@H](C)C2)c([N+](=O)[O-])c1 ZINC000420338591 420221251 /nfs/dbraw/zinc/22/12/51/420221251.db2.gz PNBGSQXUADNVAF-LLVKDONJSA-N 1 0 322.365 1.226 20 5 DDBDRO C[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)[C@H](C[NH3+])C1 ZINC000420417963 420272990 /nfs/dbraw/zinc/27/29/90/420272990.db2.gz FSQSDEZWBAPADB-BDAKNGLRSA-N 1 0 319.408 1.404 20 5 DDBDRO CC(C)(C)[C@H](C[NH3+])NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000423963398 420285342 /nfs/dbraw/zinc/28/53/42/420285342.db2.gz WBBKVNMFEMTZKI-ZDUSSCGKSA-N 1 0 309.366 1.853 20 5 DDBDRO C[C@@]1(F)C[NH2+]CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000420336905 420218588 /nfs/dbraw/zinc/21/85/88/420218588.db2.gz QLOBWFSUOADVTC-OAHLLOKOSA-N 1 0 324.356 1.557 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000424025033 420308555 /nfs/dbraw/zinc/30/85/55/420308555.db2.gz WIWZLMAGTQSXRU-QWRGUYRKSA-N 1 0 307.350 1.660 20 5 DDBDRO Cc1nn(CCC(=O)NCC2([NH+](C)C)CC2)c(C)c1[N+](=O)[O-] ZINC000416300956 420318822 /nfs/dbraw/zinc/31/88/22/420318822.db2.gz KBHUCKWVCKZFLC-UHFFFAOYSA-N 1 0 309.370 1.009 20 5 DDBDRO NC(=O)c1cccc([N+](=O)[O-])c1NC1CC[NH+](C2CC2)CC1 ZINC000420582924 420322799 /nfs/dbraw/zinc/32/27/99/420322799.db2.gz ICVWWKQMXJSSQC-UHFFFAOYSA-N 1 0 304.350 1.732 20 5 DDBDRO NC(=O)c1cccc([N+](=O)[O-])c1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000420590588 420325533 /nfs/dbraw/zinc/32/55/33/420325533.db2.gz VUFNGXOBNLBSIO-QWRGUYRKSA-N 1 0 304.350 1.732 20 5 DDBDRO C[NH+](C)C1CCC(Nc2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000420630808 420335276 /nfs/dbraw/zinc/33/52/76/420335276.db2.gz UGAWPNGDBKAFIJ-UHFFFAOYSA-N 1 0 304.354 1.922 20 5 DDBDRO Cc1cc(S(=O)(=O)NCC[NH+](C)C)c(C)cc1[N+](=O)[O-] ZINC000416360123 420343954 /nfs/dbraw/zinc/34/39/54/420343954.db2.gz KEBAYJOOWVCUSR-UHFFFAOYSA-N 1 0 301.368 1.052 20 5 DDBDRO C[C@H](CO)[C@H](C)[NH2+]CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000450739307 420518532 /nfs/dbraw/zinc/51/85/32/420518532.db2.gz QCAWYICBSMSIDI-MNOVXSKESA-N 1 0 323.349 1.499 20 5 DDBDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000417765915 420473322 /nfs/dbraw/zinc/47/33/22/420473322.db2.gz OSXISQVDUIRSMO-WCQYABFASA-N 1 0 306.366 1.516 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCC[N@@H+]1CCCC1(C)C ZINC000457082229 420604485 /nfs/dbraw/zinc/60/44/85/420604485.db2.gz WIONOLDNWIXIPR-UHFFFAOYSA-N 1 0 323.397 1.480 20 5 DDBDRO CNC(=O)c1ccc(N(C)[C@@H]2CC[N@@H+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000450947098 420566494 /nfs/dbraw/zinc/56/64/94/420566494.db2.gz BALUAASOQXGORI-CYBMUJFWSA-N 1 0 320.393 1.873 20 5 DDBDRO Cc1cc(S(=O)(=O)NC[C@@H]([NH3+])C(C)C)ccc1[N+](=O)[O-] ZINC000440449104 420576768 /nfs/dbraw/zinc/57/67/68/420576768.db2.gz YTGAUGOUZJHEMR-LLVKDONJSA-N 1 0 301.368 1.165 20 5 DDBDRO C[C@H](CNC(=O)N[C@H]1C[NH2+]CC1(C)C)c1ccccc1[N+](=O)[O-] ZINC001120577586 782033578 /nfs/dbraw/zinc/03/35/78/782033578.db2.gz DWUCNNJPSZHMKX-RISCZKNCSA-N 1 0 320.393 1.996 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000454143551 420805429 /nfs/dbraw/zinc/80/54/29/420805429.db2.gz ZQWKUWDICWHXSL-GXFFZTMASA-N 1 0 320.349 1.771 20 5 DDBDRO C[C@@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccn(C)n1 ZINC000459784912 420871253 /nfs/dbraw/zinc/87/12/53/420871253.db2.gz JTSPSTVCJFMJIY-NEPJUHHUSA-N 1 0 320.349 1.419 20 5 DDBDRO CC(C)(C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1)n1cc([N+](=O)[O-])cn1 ZINC000449647042 421044211 /nfs/dbraw/zinc/04/42/11/421044211.db2.gz OXQHRPMHOKDYRD-MNOVXSKESA-N 1 0 309.370 1.160 20 5 DDBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000487847072 421052299 /nfs/dbraw/zinc/05/22/99/421052299.db2.gz ZGROHWJLHFZUDO-LLVKDONJSA-N 1 0 312.370 1.020 20 5 DDBDRO CNC(=O)C[C@@H](C)[NH2+]Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000449605737 421037380 /nfs/dbraw/zinc/03/73/80/421037380.db2.gz XCATUHSBAGACTE-SECBINFHSA-N 1 0 311.338 1.226 20 5 DDBDRO Cc1c(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)cnn1C ZINC000488717435 421107168 /nfs/dbraw/zinc/10/71/68/421107168.db2.gz SJXCGQPNVHIFQN-UHFFFAOYSA-N 1 0 304.354 1.670 20 5 DDBDRO CC1(C)[NH2+]CC[C@H]1NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000449749698 421074916 /nfs/dbraw/zinc/07/49/16/421074916.db2.gz GSJFRTDPOGCROD-LLVKDONJSA-N 1 0 303.322 1.341 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000456317272 421141268 /nfs/dbraw/zinc/14/12/68/421141268.db2.gz HUKPOVQHGPSXMS-YOGCLGLASA-N 1 0 304.350 1.653 20 5 DDBDRO CC[N@H+](C)CCNc1c2ccc(OC)cc2ncc1[N+](=O)[O-] ZINC000450277213 421176586 /nfs/dbraw/zinc/17/65/86/421176586.db2.gz LAKDGWCKXONNDE-UHFFFAOYSA-N 1 0 304.350 1.937 20 5 DDBDRO Cc1nn(C)c(C(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000522901424 421226681 /nfs/dbraw/zinc/22/66/81/421226681.db2.gz YPTZQMBOIQYONW-LLVKDONJSA-N 1 0 309.370 1.097 20 5 DDBDRO Cc1ccc(NCCCNC(=O)N(C)CCC[NH3+])c([N+](=O)[O-])c1 ZINC000562804527 421415743 /nfs/dbraw/zinc/41/57/43/421415743.db2.gz NGAPJAFVUNYFGW-UHFFFAOYSA-N 1 0 323.397 1.695 20 5 DDBDRO O=C(NCC[N@H+]1CC=CCC1)NCc1cccc([N+](=O)[O-])c1 ZINC000527523033 421393760 /nfs/dbraw/zinc/39/37/60/421393760.db2.gz KPCSTCKZXXWJOF-UHFFFAOYSA-N 1 0 304.350 1.656 20 5 DDBDRO O=C(c1c[nH]nc1[N+](=O)[O-])N1CCC(C[NH+]2CCCC2)CC1 ZINC000548742178 421469789 /nfs/dbraw/zinc/46/97/89/421469789.db2.gz MVHYNZNUJGBJQP-UHFFFAOYSA-N 1 0 307.354 1.266 20 5 DDBDRO C[N@@H+]1CC[C@H](NC(=O)c2c[nH]nc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000548955262 421488082 /nfs/dbraw/zinc/48/80/82/421488082.db2.gz ZACBQHAHPAFBLT-QWHCGFSZSA-N 1 0 315.333 1.493 20 5 DDBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000516379332 421542970 /nfs/dbraw/zinc/54/29/70/421542970.db2.gz IAYHNTOFSBYVOH-SNVBAGLBSA-N 1 0 321.333 1.538 20 5 DDBDRO COCC1(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CCC1 ZINC000570390049 421643010 /nfs/dbraw/zinc/64/30/10/421643010.db2.gz GAXKCBVPBRWQPN-ZDUSSCGKSA-N 1 0 324.377 1.741 20 5 DDBDRO C[NH2+]C[C@H]1CCCN1C(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000570395115 421644430 /nfs/dbraw/zinc/64/44/30/421644430.db2.gz CYKKNKFXIVHEFC-GFCCVEGCSA-N 1 0 307.350 1.356 20 5 DDBDRO CC[NH2+]CCCNS(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC000520253820 421743506 /nfs/dbraw/zinc/74/35/06/421743506.db2.gz AQNRNHUDAOQEFX-UHFFFAOYSA-N 1 0 315.395 1.490 20 5 DDBDRO Cc1nn(CCC(=O)N(C)CCC[NH+](C)C)c(C)c1[N+](=O)[O-] ZINC000540514911 421764214 /nfs/dbraw/zinc/76/42/14/421764214.db2.gz LSAGWDACLMZOBK-UHFFFAOYSA-N 1 0 311.386 1.208 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000572906230 421882170 /nfs/dbraw/zinc/88/21/70/421882170.db2.gz XDKSCOZKYPCHNB-UHFFFAOYSA-N 1 0 308.382 1.785 20 5 DDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CC[NH+](C2CCOCC2)CC1 ZINC000581391141 421963949 /nfs/dbraw/zinc/96/39/49/421963949.db2.gz SUDMOGPUNQHEHF-UHFFFAOYSA-N 1 0 323.397 1.421 20 5 DDBDRO Cc1cc(OCC(=O)NC[C@@H]2CCC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000582218202 422129917 /nfs/dbraw/zinc/12/99/17/422129917.db2.gz HRTDYUAZAPNKJI-ZDUSSCGKSA-N 1 0 321.377 1.740 20 5 DDBDRO C[NH+](C)[C@H](CNc1ccc(N)c([N+](=O)[O-])n1)c1ccccc1 ZINC000590569700 422320523 /nfs/dbraw/zinc/32/05/23/422320523.db2.gz NUZNAFHXPDDDHD-CYBMUJFWSA-N 1 0 301.350 2.287 20 5 DDBDRO CC(C)OCC[NH+]1CCC(Nc2ccc(N)c([N+](=O)[O-])n2)CC1 ZINC000590584036 422320793 /nfs/dbraw/zinc/32/07/93/422320793.db2.gz KEEFZWNTZSBHOG-UHFFFAOYSA-N 1 0 323.397 1.873 20 5 DDBDRO CCN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C[C@@H]1CCCO1 ZINC000114726424 263337893 /nfs/dbraw/zinc/33/78/93/263337893.db2.gz CLRAUQLTURPLIU-ZDUSSCGKSA-N 1 0 307.350 1.695 20 5 DDBDRO C[C@H](CS(C)(=O)=O)[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000341682235 271168239 /nfs/dbraw/zinc/16/82/39/271168239.db2.gz IEOMAECYFJPBAJ-GFCCVEGCSA-N 1 0 314.407 1.940 20 5 DDBDRO CCS(=O)(=O)C[C@H](C)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000341907274 271243834 /nfs/dbraw/zinc/24/38/34/271243834.db2.gz NJLYVQWNQGJHNC-NSHDSACASA-N 1 0 300.380 1.550 20 5 DDBDRO CCOc1cc(C(=O)NC[C@@H]2CC[NH2+]C2)c([N+](=O)[O-])cc1OC ZINC000342732682 271493389 /nfs/dbraw/zinc/49/33/89/271493389.db2.gz KVIGJJYTOCVGSE-SNVBAGLBSA-N 1 0 323.349 1.341 20 5 DDBDRO CN(C)C(=O)CC[NH+]1CCC(Nc2ccc([N+](=O)[O-])nc2)CC1 ZINC000344425785 272023277 /nfs/dbraw/zinc/02/32/77/272023277.db2.gz WIJRCVNMEVFFGX-UHFFFAOYSA-N 1 0 321.381 1.344 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC(C[NH+]3CCOCC3)CC2)cn1 ZINC000344426295 272023576 /nfs/dbraw/zinc/02/35/76/272023576.db2.gz XIOUKAHQGJTXBY-UHFFFAOYSA-N 1 0 306.366 1.538 20 5 DDBDRO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NCC[NH+]1CCCC1 ZINC000344824383 272125100 /nfs/dbraw/zinc/12/51/00/272125100.db2.gz ZRZLGAMEJBSELQ-UHFFFAOYSA-N 1 0 316.361 1.762 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]([NH3+])CC(F)F ZINC000345727795 272316032 /nfs/dbraw/zinc/31/60/32/272316032.db2.gz VCIRZIYQNIFATB-VIFPVBQESA-N 1 0 303.265 1.202 20 5 DDBDRO C[C@@H](O)C[N@H+](CCO)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000293462508 274267091 /nfs/dbraw/zinc/26/70/91/274267091.db2.gz DHMVMWFIHRANJD-SECBINFHSA-N 1 0 322.283 1.789 20 5 DDBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000285489385 274401297 /nfs/dbraw/zinc/40/12/97/274401297.db2.gz INYUAUSKDDOWIX-HIFRSBDPSA-N 1 0 320.393 1.315 20 5 DDBDRO CC(C)[C@H]([NH3+])CNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000420445062 275703925 /nfs/dbraw/zinc/70/39/25/275703925.db2.gz HKJYSJCXUROGFK-CYBMUJFWSA-N 1 0 315.395 1.040 20 5 DDBDRO CC1(C)C[NH2+]CC[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000261839393 276138188 /nfs/dbraw/zinc/13/81/88/276138188.db2.gz ZPAPTEUAAYZKQK-LBPRGKRZSA-N 1 0 313.379 1.261 20 5 DDBDRO CCOC(=O)[C@H]1NCC[C@@H]1[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000423147149 276294896 /nfs/dbraw/zinc/29/48/96/276294896.db2.gz REGYUECCCZQGQV-BPNCWPANSA-N 1 0 307.350 1.539 20 5 DDBDRO C[N@@H+]1CCC[C@@]2(CCN(c3nccc(C(N)=O)c3[N+](=O)[O-])C2)C1 ZINC000292707590 277073004 /nfs/dbraw/zinc/07/30/04/277073004.db2.gz GNGHZQNMWICZQI-OAHLLOKOSA-N 1 0 319.365 1.011 20 5 DDBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000247318444 277181491 /nfs/dbraw/zinc/18/14/91/277181491.db2.gz SCUBNYFGNCYQMZ-JSGCOSHPSA-N 1 0 321.381 1.124 20 5 DDBDRO C[NH2+]CCN(C)S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000420442397 277270665 /nfs/dbraw/zinc/27/06/65/277270665.db2.gz XCWIKYPRFLHDSG-UHFFFAOYSA-N 1 0 301.368 1.052 20 5 DDBDRO C[C@@H]([NH2+]CCn1cccn1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000112548111 278348941 /nfs/dbraw/zinc/34/89/41/278348941.db2.gz HUSXMUNKXZZOBY-LLVKDONJSA-N 1 0 303.322 1.408 20 5 DDBDRO O=[N+]([O-])c1ccc(C[N@@H+](C[C@@H](O)Cn2cccn2)C2CC2)cc1 ZINC000179520980 280363529 /nfs/dbraw/zinc/36/35/29/280363529.db2.gz XRDTZRGJCRKCEC-MRXNPFEDSA-N 1 0 316.361 1.817 20 5 DDBDRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1c([N+](=O)[O-])cnn1C ZINC000125399945 281190678 /nfs/dbraw/zinc/19/06/78/281190678.db2.gz DHDIXYGCFMVVKX-WDEREUQCSA-N 1 0 307.354 1.027 20 5 DDBDRO C[NH+](C)CCn1ccc(NC(=O)c2ccc(F)cc2[N+](=O)[O-])n1 ZINC000125878650 281219158 /nfs/dbraw/zinc/21/91/58/281219158.db2.gz BCXQZGZKWMDUDI-UHFFFAOYSA-N 1 0 321.312 1.744 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000324095742 298262289 /nfs/dbraw/zinc/26/22/89/298262289.db2.gz CKCNOWSLTAEMIO-UONOGXRCSA-N 1 0 314.345 1.500 20 5 DDBDRO [NH3+]C[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)CCO1 ZINC000357960205 299033165 /nfs/dbraw/zinc/03/31/65/299033165.db2.gz CVMGZGNYHHCGEU-LLVKDONJSA-N 1 0 317.292 1.356 20 5 DDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000363026612 300200502 /nfs/dbraw/zinc/20/05/02/300200502.db2.gz JVZMEJZCHFFVGX-ZFWWWQNUSA-N 1 0 303.362 1.880 20 5 DDBDRO Cn1cc(C[C@@H]2CC[N@H+](Cc3c([N+](=O)[O-])ncn3C)C2)cn1 ZINC000363129519 300216725 /nfs/dbraw/zinc/21/67/25/300216725.db2.gz IBEJEERRPAGKSD-NSHDSACASA-N 1 0 304.354 1.126 20 5 DDBDRO C[C@H]1[C@@H]([NH3+])CCN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000420416981 300676690 /nfs/dbraw/zinc/67/66/90/300676690.db2.gz BMKFASAXGGMIFO-CBAPKCEASA-N 1 0 319.770 1.358 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC(n3cc(Cl)cn3)CC2)n1 ZINC000367916813 300910809 /nfs/dbraw/zinc/91/08/09/300910809.db2.gz JXAXPROFEGMHLW-UHFFFAOYSA-N 1 0 324.772 1.978 20 5 DDBDRO Nc1c(C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cccc1[N+](=O)[O-] ZINC000368484773 301038012 /nfs/dbraw/zinc/03/80/12/301038012.db2.gz ZJPVZJSGECIPBZ-ZMLRMANQSA-N 1 0 304.350 1.376 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[NH+]2CCC(Oc3cnccn3)CC2)c1 ZINC000369622759 301206339 /nfs/dbraw/zinc/20/63/39/301206339.db2.gz OEWKWUSYSJDENG-UHFFFAOYSA-N 1 0 318.337 1.125 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CCN(C[C@@H](O)c3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC000370148574 301283789 /nfs/dbraw/zinc/28/37/89/301283789.db2.gz BFQHNSYPOOGNPN-DAXOMENPSA-N 1 0 305.378 1.654 20 5 DDBDRO Nc1c(C(=O)NC2CC([NH+]3CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000370192567 301292384 /nfs/dbraw/zinc/29/23/84/301292384.db2.gz HWCDGJPAQRUFSW-UHFFFAOYSA-N 1 0 318.377 1.924 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(N2CCC([N@H+]3CCO[C@H](C)C3)CC2)n1 ZINC000370654372 301376383 /nfs/dbraw/zinc/37/63/83/301376383.db2.gz RYHNIAWPKBXTFQ-CYBMUJFWSA-N 1 0 320.393 1.988 20 5 DDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000375835321 302001566 /nfs/dbraw/zinc/00/15/66/302001566.db2.gz TTZKPXWQGSVKOK-BIMULSAOSA-N 1 0 304.350 1.376 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](CC(N)=O)C1 ZINC000377609305 302197998 /nfs/dbraw/zinc/19/79/98/302197998.db2.gz YAMCTOPAPXSLHG-LLVKDONJSA-N 1 0 307.350 1.691 20 5 DDBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1cc([N+](=O)[O-])cn1C ZINC000515320428 302772144 /nfs/dbraw/zinc/77/21/44/302772144.db2.gz OWPDMEDIBZKLMK-DGCLKSJQSA-N 1 0 306.366 1.632 20 5 DDBDRO Cc1ccc(NC(=O)c2cc([N+](=O)[O-])nn2C)c(C[NH+](C)C)c1 ZINC000356637679 306858583 /nfs/dbraw/zinc/85/85/83/306858583.db2.gz TZSAREUATBIBQP-UHFFFAOYSA-N 1 0 317.349 1.951 20 5 DDBDRO COc1ccc(CC(=O)N[C@H](C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000523659921 302899376 /nfs/dbraw/zinc/89/93/76/302899376.db2.gz WIALACZZKJHHES-LLVKDONJSA-N 1 0 309.366 1.602 20 5 DDBDRO C[C@H]1C[NH+](CCCNC(=O)c2ccc([N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000532397891 303285054 /nfs/dbraw/zinc/28/50/54/303285054.db2.gz RQYDDURUGJALKF-RYUDHWBXSA-N 1 0 322.365 1.219 20 5 DDBDRO [NH3+]C[C@@H]1CCCN(C(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000493063890 303402785 /nfs/dbraw/zinc/40/27/85/303402785.db2.gz NHAAWVBUYOFMIK-QZPNVGJNSA-N 1 0 307.325 1.944 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CCC(CC[NH2+]C)CC2)n1 ZINC000563109544 303921908 /nfs/dbraw/zinc/92/19/08/303921908.db2.gz SJOGHPMKPAUNKB-UHFFFAOYSA-N 1 0 309.370 1.273 20 5 DDBDRO Cc1c(NC(=O)CC[N@H+]2C[C@H](C)[C@H](CO)C2)cccc1[N+](=O)[O-] ZINC000362091389 307014155 /nfs/dbraw/zinc/01/41/55/307014155.db2.gz UQBLICXTDQIMAN-AAEUAGOBSA-N 1 0 321.377 1.792 20 5 DDBDRO CC1CCC([NH+]2CCC(NC(=O)[C@H]3C[C@H]3[N+](=O)[O-])CC2)CC1 ZINC000363673370 307032933 /nfs/dbraw/zinc/03/29/33/307032933.db2.gz CBDKHKHILKBMRE-RIXNLZLZSA-N 1 0 309.410 1.811 20 5 DDBDRO O=C([C@@H]1C[NH+]2CCC1CC2)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000365073750 307057869 /nfs/dbraw/zinc/05/78/69/307057869.db2.gz SVSDUWMPIKLCSC-CQSZACIVSA-N 1 0 301.346 1.826 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC[N@@H+]([C@@H](C)CO)CC1 ZINC000365194452 307061712 /nfs/dbraw/zinc/06/17/12/307061712.db2.gz DEBNVBQEPMUKSX-ZDUSSCGKSA-N 1 0 321.377 1.432 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@@H]2C(=O)NC(=O)[C@H]2C1 ZINC000366304605 307070469 /nfs/dbraw/zinc/07/04/69/307070469.db2.gz ANBYSSWQTDZQJO-JKOKRWQUSA-N 1 0 317.345 1.559 20 5 DDBDRO O=[N+]([O-])c1cnn([C@@H]2CCC[N@H+](CCO[C@H]3CCCCO3)C2)c1 ZINC000373107708 307178951 /nfs/dbraw/zinc/17/89/51/307178951.db2.gz WBPSBGHYKJVNMN-HIFRSBDPSA-N 1 0 324.381 1.971 20 5 DDBDRO O=[N+]([O-])c1cnn([C@H]2CCC[N@H+](CCO[C@@H]3CCCCO3)C2)c1 ZINC000373107707 307178966 /nfs/dbraw/zinc/17/89/66/307178966.db2.gz WBPSBGHYKJVNMN-DZGCQCFKSA-N 1 0 324.381 1.971 20 5 DDBDRO C[N@@H+]1CCCC12CCN(C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)CC2 ZINC000373195360 307181298 /nfs/dbraw/zinc/18/12/98/307181298.db2.gz IATWOROKAYXEES-UHFFFAOYSA-N 1 0 320.349 1.396 20 5 DDBDRO COc1cc(C(=O)N2CCC3(C2)CC[NH2+]CC3)ccc1[N+](=O)[O-] ZINC000378407960 307287666 /nfs/dbraw/zinc/28/76/66/307287666.db2.gz YTXQLZLVIAVRQL-UHFFFAOYSA-N 1 0 319.361 1.819 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000415570326 307299107 /nfs/dbraw/zinc/29/91/07/307299107.db2.gz SGIRJHDPGSULPV-MNOVXSKESA-N 1 0 320.349 1.051 20 5 DDBDRO CNC(=O)OC[C@H]1CCCCN1Cc1c([N+](=O)[O-])ncn1C ZINC000495776504 307318033 /nfs/dbraw/zinc/31/80/33/307318033.db2.gz VZASSKLIIBMMGC-SNVBAGLBSA-N 1 0 311.342 1.039 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000517024692 307428068 /nfs/dbraw/zinc/42/80/68/307428068.db2.gz CVMLXPOGZHKCSU-NEPJUHHUSA-N 1 0 309.370 1.124 20 5 DDBDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 ZINC000519823066 307454616 /nfs/dbraw/zinc/45/46/16/307454616.db2.gz NCBMCILWCBQUJP-ZJUUUORDSA-N 1 0 321.333 1.175 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1C[C@H]2OCCC[C@H]12 ZINC000566132636 308046005 /nfs/dbraw/zinc/04/60/05/308046005.db2.gz VSHYWFGZVGAGHK-BRXULGCHSA-N 1 0 322.361 1.492 20 5 DDBDRO O=C1NCC[C@@]12CCC[N@H+]2CCOc1ccc([N+](=O)[O-])cc1 ZINC000569822963 308151527 /nfs/dbraw/zinc/15/15/27/308151527.db2.gz ZKCZOKYSVSIFKF-HNNXBMFYSA-N 1 0 305.334 1.328 20 5 DDBDRO O=C1NCC[C@H]1CC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000575192653 308273366 /nfs/dbraw/zinc/27/33/66/308273366.db2.gz JMIKJCRHCFVURF-NWDGAFQWSA-N 1 0 319.365 1.002 20 5 DDBDRO COc1ccc(C[NH+](C)C)cc1NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000576058876 308286918 /nfs/dbraw/zinc/28/69/18/308286918.db2.gz FAGKTEWPLLORNV-UHFFFAOYSA-N 1 0 319.321 1.640 20 5 DDBDRO C[C@@H](Cn1ccnc1)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000580064269 308577123 /nfs/dbraw/zinc/57/71/23/308577123.db2.gz SXJJYZXILAYEOY-GXTWGEPZSA-N 1 0 320.349 1.209 20 5 DDBDRO C[NH+](C)C[C@@H](O)CN[C@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000584118270 331835734 /nfs/dbraw/zinc/83/57/34/331835734.db2.gz PHKUMBRGCQCDAC-NWDGAFQWSA-N 1 0 321.299 1.710 20 5 DDBDRO CN(C)c1noc([C@@H]2CCCN2CCn2cc([N+](=O)[O-])cn2)n1 ZINC000374529288 483941231 /nfs/dbraw/zinc/94/12/31/483941231.db2.gz IEDRGGFFDLALEG-NSHDSACASA-N 1 0 321.341 1.077 20 5 DDBDRO Cc1nn(C)c(N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000488736626 484216654 /nfs/dbraw/zinc/21/66/54/484216654.db2.gz VIZKZPOXXSEUNP-GMXVVIOVSA-N 1 0 307.398 1.803 20 5 DDBDRO CC[N@@H+]1CC[C@H](N(C)c2nccc(C(N)=O)c2[N+](=O)[O-])C[C@H]1C ZINC000357540309 484508920 /nfs/dbraw/zinc/50/89/20/484508920.db2.gz XBOUCIATZSDQAZ-MNOVXSKESA-N 1 0 321.381 1.398 20 5 DDBDRO COCC[N@@H+]1CC[C@@H](Nc2nc3sccn3c2[N+](=O)[O-])C1 ZINC000264557242 490711154 /nfs/dbraw/zinc/71/11/54/490711154.db2.gz DTSVVXDZCKWFNA-SECBINFHSA-N 1 0 311.367 1.437 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[NH+]2CCC(O)(c3ccccc3)CC2)c1 ZINC000185483980 501083047 /nfs/dbraw/zinc/08/30/47/501083047.db2.gz DIWPRGHTGZCHNY-UHFFFAOYSA-N 1 0 316.361 1.775 20 5 DDBDRO C[C@@H]1C[C@@H]1C[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000488427805 533726531 /nfs/dbraw/zinc/72/65/31/533726531.db2.gz YLUYGWGHQMLLDM-GHMZBOCLSA-N 1 0 313.379 1.119 20 5 DDBDRO C[C@@H](O)[C@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000305816303 533844447 /nfs/dbraw/zinc/84/44/47/533844447.db2.gz ADQQDBQSJZQXCX-NEPJUHHUSA-N 1 0 307.350 1.626 20 5 DDBDRO COc1ccc(NC(=O)C[NH2+][C@]2(C)CCO[C@H]2C)c([N+](=O)[O-])c1 ZINC000494242320 534083725 /nfs/dbraw/zinc/08/37/25/534083725.db2.gz RMXAXPQPAWAFPW-ZUZCIYMTSA-N 1 0 323.349 1.699 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCC[C@@H]2CCC[N@H+](C)C2)n1 ZINC000413448068 534245609 /nfs/dbraw/zinc/24/56/09/534245609.db2.gz WIPSJWPFJVCANC-NSHDSACASA-N 1 0 322.365 1.920 20 5 DDBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000435243123 534465841 /nfs/dbraw/zinc/46/58/41/534465841.db2.gz QYSMAPWMFZRJHK-HNNXBMFYSA-N 1 0 303.362 1.880 20 5 DDBDRO [NH3+]CCCCNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000420229423 534606556 /nfs/dbraw/zinc/60/65/56/534606556.db2.gz GUHUYDMFQZOCIH-UHFFFAOYSA-N 1 0 306.366 1.982 20 5 DDBDRO C[NH+](C)CCCNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000338115197 524057029 /nfs/dbraw/zinc/05/70/29/524057029.db2.gz QNMTUNKEWYWZEY-UHFFFAOYSA-N 1 0 317.349 1.462 20 5 DDBDRO C[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)[C@@H](C)C[NH2+]1 ZINC000156176693 524662130 /nfs/dbraw/zinc/66/21/30/524662130.db2.gz IHTGYHOLFYGWIL-YUMQZZPRSA-N 1 0 305.381 1.027 20 5 DDBDRO O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000156312214 527392830 /nfs/dbraw/zinc/39/28/30/527392830.db2.gz WBUKYRLRKDEJBO-MNOVXSKESA-N 1 0 311.363 1.110 20 5 DDBDRO CCO[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000452037104 527743610 /nfs/dbraw/zinc/74/36/10/527743610.db2.gz UDQIBHPGXFHKNI-BFHYXJOUSA-N 1 0 312.370 1.090 20 5 DDBDRO CC[NH+](CC)CC1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000330577836 528093634 /nfs/dbraw/zinc/09/36/34/528093634.db2.gz HIGNPGWUAXIFJD-UHFFFAOYSA-N 1 0 309.370 1.512 20 5 DDBDRO CC[NH2+]CCNC(=O)c1cc(C(=O)OCC)cc([N+](=O)[O-])c1 ZINC000422788508 528328006 /nfs/dbraw/zinc/32/80/06/528328006.db2.gz VLUHWSSNRFQONR-UHFFFAOYSA-N 1 0 309.322 1.111 20 5 DDBDRO CC(C)[C@H]([NH3+])CNC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000429134595 529054269 /nfs/dbraw/zinc/05/42/69/529054269.db2.gz KXJFIYZNLJBGRL-LLVKDONJSA-N 1 0 323.349 1.008 20 5 DDBDRO CC1(C)CN(C(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000492096066 529060912 /nfs/dbraw/zinc/06/09/12/529060912.db2.gz OOOUMTMDCDDJOP-XQRVVYSFSA-N 1 0 307.325 1.958 20 5 DDBDRO C[C@@H]1CN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])[C@@H](C)C[N@@H+]1C ZINC000824994185 608555021 /nfs/dbraw/zinc/55/50/21/608555021.db2.gz UBYRWGVADQRACN-ZJUUUORDSA-N 1 0 317.353 1.304 20 5 DDBDRO CC[N@H+](CCNC(=O)c1cc(C)cc([N+](=O)[O-])c1N)C(C)C ZINC000104884066 696621599 /nfs/dbraw/zinc/62/15/99/696621599.db2.gz ZXVVTZDHUURUFG-UHFFFAOYSA-N 1 0 308.382 1.946 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000228155137 697773201 /nfs/dbraw/zinc/77/32/01/697773201.db2.gz ZUOQHKBOYKDMGM-WDEREUQCSA-N 1 0 313.379 1.261 20 5 DDBDRO C[C@H]1CCCN(CC[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000749678493 700176301 /nfs/dbraw/zinc/17/63/01/700176301.db2.gz SRUWIYVQWAKQAH-BBRMVZONSA-N 1 0 307.394 1.950 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CC(C3CCOCC3)C2)c1 ZINC000799998532 700179901 /nfs/dbraw/zinc/17/99/01/700179901.db2.gz CDQTUDCFOHVTBE-INIZCTEOSA-N 1 0 306.362 1.987 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)CN2CC[NH+](CC3CC3)CC2)cc1 ZINC000776277382 698090907 /nfs/dbraw/zinc/09/09/07/698090907.db2.gz NUVQVLUCSWBIET-MRXNPFEDSA-N 1 0 305.378 1.656 20 5 DDBDRO CC[N@H+](C)C[C@@H]1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776588824 698123090 /nfs/dbraw/zinc/12/30/90/698123090.db2.gz CFHPUYIXBYEGLS-BBRMVZONSA-N 1 0 307.394 1.902 20 5 DDBDRO O=[N+]([O-])c1ccc(CN2CC[C@H](N3CC[NH2+]CC3)C2)cc1Cl ZINC000262145416 698456367 /nfs/dbraw/zinc/45/63/67/698456367.db2.gz QKYHVAALNGIAOA-ZDUSSCGKSA-N 1 0 324.812 1.728 20 5 DDBDRO C[C@@H](O)C[NH+]1CCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000783559192 698852427 /nfs/dbraw/zinc/85/24/27/698852427.db2.gz KIVSIHGMVCJOCU-LLVKDONJSA-N 1 0 313.785 1.747 20 5 DDBDRO CN(C)c1nccc(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000783584597 698854361 /nfs/dbraw/zinc/85/43/61/698854361.db2.gz WLUDPJRVLVSJAU-CQSZACIVSA-N 1 0 317.349 1.274 20 5 DDBDRO COc1ccc(OCCN2CC[C@@]3(CCC[NH2+]3)C2)c([N+](=O)[O-])c1 ZINC000420402195 699139222 /nfs/dbraw/zinc/13/92/22/699139222.db2.gz LRPBLGRIVJCZPJ-INIZCTEOSA-N 1 0 321.377 1.810 20 5 DDBDRO COC(=O)[C@@H]1CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000787328290 699206286 /nfs/dbraw/zinc/20/62/86/699206286.db2.gz QKQBRDZKFRECBF-GDLCADMTSA-N 1 0 308.334 1.512 20 5 DDBDRO O=[N+]([O-])c1cc(C[NH2+]CC[C@H]2CCCS2(=O)=O)cs1 ZINC000714333854 699270553 /nfs/dbraw/zinc/27/05/53/699270553.db2.gz CRYHVUPIWRKBLH-SNVBAGLBSA-N 1 0 304.393 1.713 20 5 DDBDRO C[NH+]1CC2(C1)CCN(C(=O)/C=C\c1ccc([N+](=O)[O-])cc1)C2 ZINC000791246057 699617229 /nfs/dbraw/zinc/61/72/29/699617229.db2.gz RPDWDFRXEGDRLN-DAXSKMNVSA-N 1 0 301.346 1.772 20 5 DDBDRO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792865492 699719594 /nfs/dbraw/zinc/71/95/94/699719594.db2.gz CALJQEVQJMMQGM-ONGXEEELSA-N 1 0 322.321 1.589 20 5 DDBDRO CC(C)([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCCC1 ZINC000796583598 699940760 /nfs/dbraw/zinc/94/07/60/699940760.db2.gz WWYPMGXVHAPXOL-CQSZACIVSA-N 1 0 321.377 1.619 20 5 DDBDRO C[NH+](C)CC1CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1 ZINC000801899625 700351707 /nfs/dbraw/zinc/35/17/07/700351707.db2.gz JUHBWDCTGBVCFP-UHFFFAOYSA-N 1 0 324.356 1.730 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)n1 ZINC000754208650 700489724 /nfs/dbraw/zinc/48/97/24/700489724.db2.gz GUOMWUBCRIWAJZ-UHFFFAOYSA-N 1 0 318.293 1.153 20 5 DDBDRO COC(=O)C[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000754517785 700507522 /nfs/dbraw/zinc/50/75/22/700507522.db2.gz NHWPIPJNFFUNOW-KBPBESRZSA-N 1 0 308.334 1.560 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)OCC[C@H]2CCCC[N@@H+]2C)n1 ZINC000755575160 700571635 /nfs/dbraw/zinc/57/16/35/700571635.db2.gz VDNMCJQVRVFQQY-LLVKDONJSA-N 1 0 310.354 1.842 20 5 DDBDRO COCC1(O)CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000759318016 700746036 /nfs/dbraw/zinc/74/60/36/700746036.db2.gz PLBIDOZQDYQFFJ-AWEZNQCLSA-N 1 0 310.350 1.102 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[N@H+](C)[C@@H](C)C1 ZINC000761072090 700838978 /nfs/dbraw/zinc/83/89/78/700838978.db2.gz DPSALZQHGCTENT-ZDUSSCGKSA-N 1 0 320.393 1.868 20 5 DDBDRO O=C(C[NH2+][C@H](CO)C1CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000763069418 700923901 /nfs/dbraw/zinc/92/39/01/700923901.db2.gz OPFJADFVXNJETL-GFCCVEGCSA-N 1 0 313.741 1.547 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCC[N@@H+]2CCC[C@H]2C)n1 ZINC000804520670 701197252 /nfs/dbraw/zinc/19/72/52/701197252.db2.gz HMIGSVRXFSOQEZ-SNVBAGLBSA-N 1 0 308.338 1.673 20 5 DDBDRO C[C@@H](CC[NH+](C)C)NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768841928 701208896 /nfs/dbraw/zinc/20/88/96/701208896.db2.gz KAOMAGCRFCYDEF-QMMMGPOBSA-N 1 0 307.397 1.275 20 5 DDBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000879231055 706622912 /nfs/dbraw/zinc/62/29/12/706622912.db2.gz RRCQDPKLJLBXIK-LLVKDONJSA-N 1 0 308.338 1.819 20 5 DDBDRO COCCC1(NC(=O)c2ccccc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000868038771 701905981 /nfs/dbraw/zinc/90/59/81/701905981.db2.gz BIJSBZMVYKMVHN-UHFFFAOYSA-N 1 0 307.350 1.483 20 5 DDBDRO C[NH+]1CCC(ONC(=O)Cc2cccc(F)c2[N+](=O)[O-])CC1 ZINC000868090447 701936274 /nfs/dbraw/zinc/93/62/74/701936274.db2.gz JHMQWTKUVULEBT-UHFFFAOYSA-N 1 0 311.313 1.418 20 5 DDBDRO C[N@@H+]1CC[C@H]2CN(c3ccc4ncc([N+](=O)[O-])n4n3)CC[C@@H]21 ZINC000866205262 706648093 /nfs/dbraw/zinc/64/80/93/706648093.db2.gz KSZXBAMMVLAMDL-QWRGUYRKSA-N 1 0 302.338 1.168 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)c1 ZINC000866210126 706649581 /nfs/dbraw/zinc/64/95/81/706649581.db2.gz YFGYRTVUFHDXIL-OLZOCXBDSA-N 1 0 319.361 1.912 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CC[C@](O)(C(F)F)C2)c1 ZINC000831175134 706649903 /nfs/dbraw/zinc/64/99/03/706649903.db2.gz FVKYSZQPRMFPJK-WCQYABFASA-N 1 0 302.277 1.330 20 5 DDBDRO Cc1cc(C(=O)N2CC[C@@H]3C[N@@H+](C)C[C@H]32)c(N)c([N+](=O)[O-])c1 ZINC000816949337 702232998 /nfs/dbraw/zinc/23/29/98/702232998.db2.gz TUIPTCMYZSUVIR-ZWNOBZJWSA-N 1 0 304.350 1.262 20 5 DDBDRO Cc1cc(N(C)CC[NH+]2CC3(C2)CCOCC3)ncc1[N+](=O)[O-] ZINC000866258120 706659822 /nfs/dbraw/zinc/65/98/22/706659822.db2.gz QNBGEQNWFTVRHI-UHFFFAOYSA-N 1 0 320.393 1.847 20 5 DDBDRO C[C@H]([NH3+])CNC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000841162333 702371717 /nfs/dbraw/zinc/37/17/17/702371717.db2.gz UMVUTDZETWTDDH-LURJTMIESA-N 1 0 317.143 1.826 20 5 DDBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@]1(O)CCN(C)C1 ZINC000866339877 706676727 /nfs/dbraw/zinc/67/67/27/706676727.db2.gz OFILACLTLGJKSE-ABAIWWIYSA-N 1 0 311.357 1.321 20 5 DDBDRO CS(=O)(=O)CC[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000841746875 702556313 /nfs/dbraw/zinc/55/63/13/702556313.db2.gz LVUOVEUTXHNBKU-AWEZNQCLSA-N 1 0 312.391 1.997 20 5 DDBDRO [NH3+][C@@H]1CCCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC000818432712 702647909 /nfs/dbraw/zinc/64/79/09/702647909.db2.gz BGPODKDZGDEPAG-SECBINFHSA-N 1 0 315.732 1.880 20 5 DDBDRO CN(C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)C1CCC([NH3+])CC1 ZINC000818529958 702661094 /nfs/dbraw/zinc/66/10/94/702661094.db2.gz DASAFDCPFPDBFR-UHFFFAOYSA-N 1 0 321.333 1.665 20 5 DDBDRO O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)NC[C@H]1CCCC[NH2+]1 ZINC000818532096 702661497 /nfs/dbraw/zinc/66/14/97/702661497.db2.gz PQAFFOZCHIIXAW-GFCCVEGCSA-N 1 0 317.349 1.203 20 5 DDBDRO CCN(OC)C(=O)C[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000842769588 702770729 /nfs/dbraw/zinc/77/07/29/702770729.db2.gz PQZSVOLAMIVGCW-XYOKQWHBSA-N 1 0 307.350 1.998 20 5 DDBDRO CC[C@H]([NH3+])CNS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000842885933 702787323 /nfs/dbraw/zinc/78/73/23/702787323.db2.gz DCKVQLQBFGDEGE-QMMMGPOBSA-N 1 0 321.786 1.572 20 5 DDBDRO CSC[C@@H](CCO)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000843082133 702815465 /nfs/dbraw/zinc/81/54/65/702815465.db2.gz AMOMPPLTPZAVAU-DGCLKSJQSA-N 1 0 300.380 1.332 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H](CO)CC(F)(F)F)c1 ZINC000843086736 702816140 /nfs/dbraw/zinc/81/61/40/702816140.db2.gz HNMZODYMYLALTI-MWLCHTKSSA-N 1 0 308.256 1.531 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCCc2cc(C[NH3+])ccc21 ZINC000843342300 702863004 /nfs/dbraw/zinc/86/30/04/702863004.db2.gz JNGJNGXAKZYDBY-UHFFFAOYSA-N 1 0 315.333 1.380 20 5 DDBDRO C[C@@H]1C[NH2+]CCN1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000843348044 702863975 /nfs/dbraw/zinc/86/39/75/702863975.db2.gz QMYPENYHXJCIOW-SECBINFHSA-N 1 0 312.757 1.480 20 5 DDBDRO C[C@@H](CC[NH3+])NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000843455249 702885484 /nfs/dbraw/zinc/88/54/84/702885484.db2.gz MTCRORCCVHYZSC-NSHDSACASA-N 1 0 306.366 1.662 20 5 DDBDRO Cc1cc(F)cc(C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1[N+](=O)[O-] ZINC000843482412 702890559 /nfs/dbraw/zinc/89/05/59/702890559.db2.gz WMUCZRDYTPPCLN-MFKMUULPSA-N 1 0 307.325 1.866 20 5 DDBDRO C[N@@H+]1CC[C@H]2CN(Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)CC[C@@H]21 ZINC000879583218 706727620 /nfs/dbraw/zinc/72/76/20/706727620.db2.gz WQDKDLMIMHYUNA-NHYWBVRUSA-N 1 0 315.377 1.997 20 5 DDBDRO COc1c(C(=O)NOC2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000846649341 703307939 /nfs/dbraw/zinc/30/79/39/703307939.db2.gz IEZZJBJHJNFTDN-UHFFFAOYSA-N 1 0 309.322 1.359 20 5 DDBDRO CNc1c(C(=O)NOC2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000846650344 703308271 /nfs/dbraw/zinc/30/82/71/703308271.db2.gz PVZCVWZZSAKSHQ-UHFFFAOYSA-N 1 0 308.338 1.392 20 5 DDBDRO C[C@H](CNC(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000848580809 703565071 /nfs/dbraw/zinc/56/50/71/703565071.db2.gz FKCLTRLOWVOULG-SECBINFHSA-N 1 0 317.292 1.633 20 5 DDBDRO Cc1cncc(CC[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000849330789 703635976 /nfs/dbraw/zinc/63/59/76/703635976.db2.gz CBTCCHIUMSAKRP-OAHLLOKOSA-N 1 0 302.334 1.559 20 5 DDBDRO CN(CC(C)(C)[NH3+])S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000850589838 703738094 /nfs/dbraw/zinc/73/80/94/703738094.db2.gz PAAWHSRAFCIOLD-UHFFFAOYSA-N 1 0 321.786 1.606 20 5 DDBDRO O=[N+]([O-])c1ccc(Cl)c(CN2CCC([NH2+]CCO)CC2)c1 ZINC000866683387 706763415 /nfs/dbraw/zinc/76/34/15/706763415.db2.gz XXJQFXJRAILNNY-UHFFFAOYSA-N 1 0 313.785 1.795 20 5 DDBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@@H]([NH3+])COC(C)C)CC2 ZINC000851638821 703820669 /nfs/dbraw/zinc/82/06/69/703820669.db2.gz MGCHVDGZOHECEK-LBPRGKRZSA-N 1 0 307.350 1.545 20 5 DDBDRO CN(C(=O)CN1CCC[C@@H]2[NH2+]CC[C@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000866721841 706775773 /nfs/dbraw/zinc/77/57/73/706775773.db2.gz QASCHZMIVFENPH-LSDHHAIUSA-N 1 0 318.377 1.384 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+](CCOCCO)C2CCC2)cc1 ZINC000852289831 703997725 /nfs/dbraw/zinc/99/77/25/703997725.db2.gz DHKVJGGSPAUNAN-INIZCTEOSA-N 1 0 324.377 1.492 20 5 DDBDRO CC1CCN(CC[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000818957583 704034340 /nfs/dbraw/zinc/03/43/40/704034340.db2.gz UAKLABKTGKKILR-MRXNPFEDSA-N 1 0 307.394 1.950 20 5 DDBDRO COC(=O)N1CCC[C@@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000819003042 704049427 /nfs/dbraw/zinc/04/94/27/704049427.db2.gz MUEGTGAEFJSYGL-TZMCWYRMSA-N 1 0 323.349 1.449 20 5 DDBDRO CCS(=O)(=O)C[C@@H](C)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819064821 704063883 /nfs/dbraw/zinc/06/38/83/704063883.db2.gz DGSWWXVYICTNOK-ZWNOBZJWSA-N 1 0 316.379 1.041 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCOc2cccnc2)c1 ZINC000819067598 704064520 /nfs/dbraw/zinc/06/45/20/704064520.db2.gz BCRUUIDGDWIENX-OAHLLOKOSA-N 1 0 303.318 1.692 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CCOC1CCC1 ZINC000819119751 704072139 /nfs/dbraw/zinc/07/21/39/704072139.db2.gz DAXBQMUQOSUGNW-GFCCVEGCSA-N 1 0 310.350 1.493 20 5 DDBDRO COCCOC[C@@H](O)C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000819149048 704076482 /nfs/dbraw/zinc/07/64/82/704076482.db2.gz GKWFHHAJCHHEMR-LBPRGKRZSA-N 1 0 318.757 1.362 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@H]2COC3(CCCC3)O2)c1 ZINC000819204640 704086068 /nfs/dbraw/zinc/08/60/68/704086068.db2.gz FAMLYCOZJMSIIQ-GJZGRUSLSA-N 1 0 322.361 1.904 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@H]2COC3(CCCC3)O2)cc1 ZINC000819204279 704086087 /nfs/dbraw/zinc/08/60/87/704086087.db2.gz BARJMTFKCSBWEQ-GJZGRUSLSA-N 1 0 322.361 1.904 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2CCO[C@]3(CCOC3)C2)c1 ZINC000819203717 704086148 /nfs/dbraw/zinc/08/61/48/704086148.db2.gz LKRUUSTWXFBFRB-FVQBIDKESA-N 1 0 322.361 1.556 20 5 DDBDRO CCO[C@@H]1C[C@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@H]1OC ZINC000819226939 704090342 /nfs/dbraw/zinc/09/03/42/704090342.db2.gz MANXAJQGPYJHHC-BYNSBNAKSA-N 1 0 310.350 1.410 20 5 DDBDRO C[NH+](C)C[C@@H]1CCN(C(=O)[C@@](C)(N)c2cccc([N+](=O)[O-])c2)C1 ZINC000870928360 704172090 /nfs/dbraw/zinc/17/20/90/704172090.db2.gz FEHZBXCNWLIDLK-LRDDRELGSA-N 1 0 320.393 1.179 20 5 DDBDRO C[C@]1(NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC[NH2+]C1 ZINC000852931151 704174641 /nfs/dbraw/zinc/17/46/41/704174641.db2.gz VBLUDLRGQLTPIV-ZDUSSCGKSA-N 1 0 315.732 1.798 20 5 DDBDRO COc1cc(NC[C@H](O)C[NH+](C)C)c(Cl)cc1[N+](=O)[O-] ZINC000853151853 704205587 /nfs/dbraw/zinc/20/55/87/704205587.db2.gz TYWOFFWDAYHPSL-QMMMGPOBSA-N 1 0 303.746 1.591 20 5 DDBDRO [NH3+][C@H]1CCN(C(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000857764079 704621523 /nfs/dbraw/zinc/62/15/23/704621523.db2.gz HAJFABBCMUSSSA-QMMMGPOBSA-N 1 0 301.249 1.126 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000821955461 704847806 /nfs/dbraw/zinc/84/78/06/704847806.db2.gz RFDCLAXUZKKRFA-HNNXBMFYSA-N 1 0 307.350 1.008 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)NCCCC[N@@H+](C)C1CC1 ZINC000822272159 704903452 /nfs/dbraw/zinc/90/34/52/704903452.db2.gz JUOQZGMQWRGUJV-UHFFFAOYSA-N 1 0 309.370 1.090 20 5 DDBDRO CC(C)[C@H]1C[N@H+](C)CCN1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000823179374 705163298 /nfs/dbraw/zinc/16/32/98/705163298.db2.gz MMGGOYZBLMYHMD-HZPDHXFCSA-N 1 0 307.394 1.900 20 5 DDBDRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000874827728 705186107 /nfs/dbraw/zinc/18/61/07/705186107.db2.gz SWYYQWWTDQFOBI-KFWWJZLASA-N 1 0 319.361 1.323 20 5 DDBDRO C[N@@H+]1C[C@H]2CCN(C(=O)NCCc3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000893877406 710870695 /nfs/dbraw/zinc/87/06/95/710870695.db2.gz WRCHCWUTQHRLMY-HIFRSBDPSA-N 1 0 318.377 1.483 20 5 DDBDRO CN(CC1C[NH+](C)C1)C(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000825180180 705617335 /nfs/dbraw/zinc/61/73/35/705617335.db2.gz FZWUNVWQOBMZHM-LSDHHAIUSA-N 1 0 303.362 1.718 20 5 DDBDRO CC[N@@H+]1CCCN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000825791307 705731369 /nfs/dbraw/zinc/73/13/69/705731369.db2.gz GDNNAJGYBRMXJC-AWEZNQCLSA-N 1 0 307.350 1.182 20 5 DDBDRO CN(C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000825844531 705736226 /nfs/dbraw/zinc/73/62/26/705736226.db2.gz MCYCXIWNSHGNLL-LSDHHAIUSA-N 1 0 319.361 1.323 20 5 DDBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825987874 705754725 /nfs/dbraw/zinc/75/47/25/705754725.db2.gz PCOLIWSMFVSJDM-DZGCQCFKSA-N 1 0 321.377 1.619 20 5 DDBDRO CC[NH2+][C@@H](C)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000876551619 705754924 /nfs/dbraw/zinc/75/49/24/705754924.db2.gz UTTUNEHNEHDMKD-LBPRGKRZSA-N 1 0 306.366 1.241 20 5 DDBDRO C[NH+](C)[C@]1(CNC(=O)CCC(C)(C)[N+](=O)[O-])CCSC1 ZINC000826639047 705831681 /nfs/dbraw/zinc/83/16/81/705831681.db2.gz RWEXNUKXXDWBFI-ZDUSSCGKSA-N 1 0 303.428 1.375 20 5 DDBDRO C[C@H]1CC[N@H+](CCNC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000826722481 705857766 /nfs/dbraw/zinc/85/77/66/705857766.db2.gz QVTVHFREGAESHG-SMDDNHRTSA-N 1 0 307.350 1.086 20 5 DDBDRO [NH3+]C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)CCO1 ZINC000876808230 705886004 /nfs/dbraw/zinc/88/60/04/705886004.db2.gz PIOGTNIFLDUILE-CYBMUJFWSA-N 1 0 315.329 1.548 20 5 DDBDRO C[N@@H+]1CC[C@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3N)CC[C@H]21 ZINC000827278210 705967347 /nfs/dbraw/zinc/96/73/47/705967347.db2.gz VDUYPHRLGNACGD-IINYFYTJSA-N 1 0 304.350 1.343 20 5 DDBDRO COc1cc(C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000827329457 705976780 /nfs/dbraw/zinc/97/67/80/705976780.db2.gz GPTJISULARIDQJ-QWHCGFSZSA-N 1 0 319.361 1.770 20 5 DDBDRO CC[NH+]1CCN(CCNC(=O)c2cc([N+](=O)[O-])ccc2F)CC1 ZINC000827507671 706016675 /nfs/dbraw/zinc/01/66/75/706016675.db2.gz YRTPVPANXXLJOM-UHFFFAOYSA-N 1 0 324.356 1.101 20 5 DDBDRO CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000877241094 706030067 /nfs/dbraw/zinc/03/00/67/706030067.db2.gz MXDUVJPXGVGRFE-SWLSCSKDSA-N 1 0 307.350 1.286 20 5 DDBDRO O=C(CNc1ccccc1[N+](=O)[O-])NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000877246316 706032237 /nfs/dbraw/zinc/03/22/37/706032237.db2.gz ZCGZMNDVPBCABO-CLLJXQQHSA-N 1 0 318.377 1.654 20 5 DDBDRO COc1cc(C(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)ccc1[N+](=O)[O-] ZINC000877282327 706047441 /nfs/dbraw/zinc/04/74/41/706047441.db2.gz DBPFLVDSSMXUIJ-NEPJUHHUSA-N 1 0 305.334 1.570 20 5 DDBDRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)c1cc3c(cc1[N+](=O)[O-])OCO3)C2 ZINC000877378053 706086498 /nfs/dbraw/zinc/08/64/98/706086498.db2.gz LPRBIKVDPMNZAP-BJOHPYRUSA-N 1 0 319.317 1.005 20 5 DDBDRO Cc1c(CN2CN(CC[NH+](C)C)C(=O)[C@H]2C)cccc1[N+](=O)[O-] ZINC000877606879 706157575 /nfs/dbraw/zinc/15/75/75/706157575.db2.gz NQXYDWDPELCWBL-CYBMUJFWSA-N 1 0 320.393 1.455 20 5 DDBDRO O=[N+]([O-])c1c(NC[C@H]2CCC[N@H+]2CCCO)nc2ccccn21 ZINC000828422922 706176626 /nfs/dbraw/zinc/17/66/26/706176626.db2.gz SPDBRJKOEHKDDE-GFCCVEGCSA-N 1 0 319.365 1.501 20 5 DDBDRO C[C@H]([NH3+])CN(C)C(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000864616300 706214090 /nfs/dbraw/zinc/21/40/90/706214090.db2.gz HTDFIDRDDQBVNB-QMMMGPOBSA-N 1 0 303.265 1.372 20 5 DDBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N1C[C@@H](C)N(CCO)[C@@H](C)C1 ZINC000829020119 706275086 /nfs/dbraw/zinc/27/50/86/706275086.db2.gz WSQXQVALEDDTMM-TXEJJXNPSA-N 1 0 321.377 1.689 20 5 DDBDRO O=[N+]([O-])c1c(NCC[NH+]2CCC(O)CC2)nc2ccccn21 ZINC000829283754 706313860 /nfs/dbraw/zinc/31/38/60/706313860.db2.gz VHINWWCDRZFAHU-UHFFFAOYSA-N 1 0 305.338 1.111 20 5 DDBDRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1c(F)cccc1[N+](=O)[O-] ZINC000865057859 706338011 /nfs/dbraw/zinc/33/80/11/706338011.db2.gz FXDTVXVYTQFIDS-MNOVXSKESA-N 1 0 323.324 1.327 20 5 DDBDRO CCO[C@@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1C)C[NH+](C)C ZINC000926820966 712906972 /nfs/dbraw/zinc/90/69/72/712906972.db2.gz FNWHICWSWAHLDQ-LBPRGKRZSA-N 1 0 324.381 1.991 20 5 DDBDRO CCO[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1)C[NH+](C)C ZINC000926822277 712907314 /nfs/dbraw/zinc/90/73/14/712907314.db2.gz KHHDPKYCDWEMFQ-CYBMUJFWSA-N 1 0 310.354 1.683 20 5 DDBDRO C[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCN2CCO[C@H]1C2 ZINC000830292905 706491461 /nfs/dbraw/zinc/49/14/61/706491461.db2.gz UENYDHHNEJPHFK-OAGGEKHMSA-N 1 0 321.377 1.033 20 5 DDBDRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000880134030 706886298 /nfs/dbraw/zinc/88/62/98/706886298.db2.gz LIXPZBIFJYGJHD-UONOGXRCSA-N 1 0 318.377 1.362 20 5 DDBDRO CC(C)[N@H+](C)C[C@H](C)NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000832870304 706996947 /nfs/dbraw/zinc/99/69/47/706996947.db2.gz HJAFSZMXKGDSKJ-SMDDNHRTSA-N 1 0 309.366 1.473 20 5 DDBDRO COC(=O)[C@@]1(O)CC[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000880564955 707019957 /nfs/dbraw/zinc/01/99/57/707019957.db2.gz ALSKIPFRDOPQGH-XHDPSFHLSA-N 1 0 308.334 1.574 20 5 DDBDRO CC[N@H+]1[C@H](C)CN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000880609574 707039189 /nfs/dbraw/zinc/03/91/89/707039189.db2.gz ORUDHCXTIRONEH-PHIMTYICSA-N 1 0 306.366 1.732 20 5 DDBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H](O)c1ccnn1C ZINC000927125717 712944811 /nfs/dbraw/zinc/94/48/11/712944811.db2.gz FRHUSKGFQBRRMZ-MEBBXXQBSA-N 1 0 322.340 1.722 20 5 DDBDRO CN1CCCC[C@@H]([N@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000872266961 707356498 /nfs/dbraw/zinc/35/64/98/707356498.db2.gz IUNSXZFYRPVYQN-HUUCEWRRSA-N 1 0 321.377 1.571 20 5 DDBDRO CC1(C)CCC[N@@H+]1CCNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000837175598 707592329 /nfs/dbraw/zinc/59/23/29/707592329.db2.gz UPPYIFJPUDHEBD-AWEZNQCLSA-N 1 0 321.377 1.619 20 5 DDBDRO C[N@H+](CCCCNC(=O)c1ccc(N)c([N+](=O)[O-])c1)C1CC1 ZINC000837226244 707601585 /nfs/dbraw/zinc/60/15/85/707601585.db2.gz REYNZYDHJXRFBB-UHFFFAOYSA-N 1 0 306.366 1.781 20 5 DDBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000882476847 707648095 /nfs/dbraw/zinc/64/80/95/707648095.db2.gz DVQQFFQCFSEFRR-SNVBAGLBSA-N 1 0 323.349 1.436 20 5 DDBDRO CC[N@@H+]1CC[C@H]1CNC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000882485671 707656074 /nfs/dbraw/zinc/65/60/74/707656074.db2.gz JVZNITCCGGHANI-LBPRGKRZSA-N 1 0 307.350 1.356 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)[NH2+]C[C@H]2CC=CCC2)cc1 ZINC000873192412 707763165 /nfs/dbraw/zinc/76/31/65/707763165.db2.gz AXIRJYUOEFHTJV-APHBMKBZSA-N 1 0 306.362 1.935 20 5 DDBDRO C[N@@H+]1CCC[C@@H](CCNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000838147246 707854333 /nfs/dbraw/zinc/85/43/33/707854333.db2.gz BSRMIMDNLFRXCQ-JTQLQIEISA-N 1 0 324.356 1.778 20 5 DDBDRO COc1cc(C[NH2+][C@H](CO)CC(F)F)c([N+](=O)[O-])cc1OC ZINC000883104433 707927969 /nfs/dbraw/zinc/92/79/69/707927969.db2.gz ZKFCDMZKCHBXNJ-VIFPVBQESA-N 1 0 320.292 1.718 20 5 DDBDRO Cc1cnc(N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)c([N+](=O)[O-])c1 ZINC000897221611 708259363 /nfs/dbraw/zinc/25/93/63/708259363.db2.gz NSDXAKLRZJVJLE-STQMWFEESA-N 1 0 306.366 1.334 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1CN1CCN(C)CC[N@@H+](C)CC1 ZINC000897859396 708472797 /nfs/dbraw/zinc/47/27/97/708472797.db2.gz CFWRFWRWKHOKCY-UHFFFAOYSA-N 1 0 320.437 1.891 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N(C)CC[N@H+](C)CCO ZINC000912607160 713046540 /nfs/dbraw/zinc/04/65/40/713046540.db2.gz CTXBBYRMYPNHIO-UHFFFAOYSA-N 1 0 323.393 1.516 20 5 DDBDRO COc1ccc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)c(F)c1OC ZINC000886026141 708683420 /nfs/dbraw/zinc/68/34/20/708683420.db2.gz QIEDJLIBTRGQEC-UHFFFAOYSA-N 1 0 324.312 1.737 20 5 DDBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886344648 708746218 /nfs/dbraw/zinc/74/62/18/708746218.db2.gz IYJVROLULZUXCO-PHIMTYICSA-N 1 0 303.318 1.845 20 5 DDBDRO CCN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@@H]1CC[NH2+]C1 ZINC000886854488 708864988 /nfs/dbraw/zinc/86/49/88/708864988.db2.gz QFPKZAHRCFWXSB-CYBMUJFWSA-N 1 0 317.349 1.829 20 5 DDBDRO O=C(Cc1ccccc1[N+](=O)[O-])N1CCC([NH+]2CCC2)CC1 ZINC000912884918 713114137 /nfs/dbraw/zinc/11/41/37/713114137.db2.gz WTWDTRRALBKVCI-UHFFFAOYSA-N 1 0 303.362 1.834 20 5 DDBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000891409574 710190240 /nfs/dbraw/zinc/19/02/40/710190240.db2.gz HVLAODLDPVTUCV-GOEBONIOSA-N 1 0 318.377 1.721 20 5 DDBDRO C[C@@H](NC(=O)N[C@H]1C[NH2+]CC[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000892078222 710367299 /nfs/dbraw/zinc/36/72/99/710367299.db2.gz NSMHOZNMTNYHQX-LOWVWBTDSA-N 1 0 306.366 1.953 20 5 DDBDRO Cc1ccc(CNC(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)cc1[N+](=O)[O-] ZINC000892293219 710411466 /nfs/dbraw/zinc/41/14/66/710411466.db2.gz SCCUVRMSSRTPLK-YPMHNXCESA-N 1 0 306.366 1.843 20 5 DDBDRO Cc1ccc(CNC(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)cc1[N+](=O)[O-] ZINC000892293218 710411545 /nfs/dbraw/zinc/41/15/45/710411545.db2.gz SCCUVRMSSRTPLK-WCQYABFASA-N 1 0 306.366 1.843 20 5 DDBDRO CN(C(=O)NCc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[N@H+](C)C1 ZINC000892419061 710434162 /nfs/dbraw/zinc/43/41/62/710434162.db2.gz YNBSXOWWPRHVPY-CQSZACIVSA-N 1 0 306.366 1.830 20 5 DDBDRO Cc1ccc(CNC(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-] ZINC000892537672 710454456 /nfs/dbraw/zinc/45/44/56/710454456.db2.gz YDHBDQKFTKFJMA-KGLIPLIRSA-N 1 0 318.377 1.939 20 5 DDBDRO C[C@H]1[C@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000928456454 713204997 /nfs/dbraw/zinc/20/49/97/713204997.db2.gz RPLYOWIDVQDINW-GXFFZTMASA-N 1 0 318.377 1.992 20 5 DDBDRO CC[NH+](CC)CC(=O)NCc1cc([N+](=O)[O-])c(F)cc1F ZINC000911475827 710813951 /nfs/dbraw/zinc/81/39/51/710813951.db2.gz KPOFNEJPXDHVMM-UHFFFAOYSA-N 1 0 301.293 1.831 20 5 DDBDRO CNC(=O)c1ccc(N2CC[C@H]3C[N@H+](C)C[C@@H]32)c([N+](=O)[O-])c1 ZINC000893941489 710894215 /nfs/dbraw/zinc/89/42/15/710894215.db2.gz SDWBHYGDQJPRLP-FZMZJTMJSA-N 1 0 304.350 1.095 20 5 DDBDRO COc1c(O)ccc(CN2CC([C@@H]3CCOC3)C2)c1[N+](=O)[O-] ZINC000894149762 710986539 /nfs/dbraw/zinc/98/65/39/710986539.db2.gz VHWDAGYRFWGOJJ-LLVKDONJSA-N 1 0 308.334 1.777 20 5 DDBDRO COc1cc([C@H](C)NC[C@H](O)C[NH+]2CCCC2)cc([N+](=O)[O-])c1 ZINC000903076274 711025468 /nfs/dbraw/zinc/02/54/68/711025468.db2.gz MJOGSNOXBMWZDP-WFASDCNBSA-N 1 0 323.393 1.711 20 5 DDBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CCN1C ZINC000903322315 711096617 /nfs/dbraw/zinc/09/66/17/711096617.db2.gz IBWAFZILHQFLEC-BXUZGUMPSA-N 1 0 306.366 1.606 20 5 DDBDRO CC1CC[NH+](CCn2nnc(-c3ccccc3[N+](=O)[O-])n2)CC1 ZINC000912459000 711337302 /nfs/dbraw/zinc/33/73/02/711337302.db2.gz NOWBLOQMVSGDID-UHFFFAOYSA-N 1 0 316.365 1.980 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@]12CC[NH2+]C2 ZINC000904272867 711422173 /nfs/dbraw/zinc/42/21/73/711422173.db2.gz KHVJFZUPGKZNJA-OAHLLOKOSA-N 1 0 320.349 1.963 20 5 DDBDRO COC(OC)[C@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000895789320 711606704 /nfs/dbraw/zinc/60/67/04/711606704.db2.gz JPSQTPZROAAXSK-NSHDSACASA-N 1 0 324.381 1.556 20 5 DDBDRO CCO[C@@H](CNc1ccc([N+](=O)[O-])cc1C(=O)NC)C[NH+](C)C ZINC000896118015 711678779 /nfs/dbraw/zinc/67/87/79/711678779.db2.gz QDMNDZKOOKDNPS-LBPRGKRZSA-N 1 0 324.381 1.333 20 5 DDBDRO O=[N+]([O-])CCNc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000905315016 712000749 /nfs/dbraw/zinc/00/07/49/712000749.db2.gz PNEAFBAPQUUIQE-UHFFFAOYSA-N 1 0 304.394 1.907 20 5 DDBDRO O=[N+]([O-])CC[NH2+]C[C@H](CO)Cc1ccc(OC(F)(F)F)cc1 ZINC000905362923 712015874 /nfs/dbraw/zinc/01/58/74/712015874.db2.gz BRIUDYJQQCJQIG-LLVKDONJSA-N 1 0 322.283 1.603 20 5 DDBDRO CN(C)c1ccnc(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000905526211 712065390 /nfs/dbraw/zinc/06/53/90/712065390.db2.gz UQWYWQSHSRCKLT-INIZCTEOSA-N 1 0 316.361 1.879 20 5 DDBDRO [NH3+]C1CCN(CCNc2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000905705711 712125892 /nfs/dbraw/zinc/12/58/92/712125892.db2.gz LFYPADGAWXFGGA-UHFFFAOYSA-N 1 0 315.377 1.978 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)[C@H](CO)[NH2+]CC2(O)CCCCC2)cc1 ZINC000920088570 713650524 /nfs/dbraw/zinc/65/05/24/713650524.db2.gz IBFHCLLUSJYKEU-LSDHHAIUSA-N 1 0 324.377 1.274 20 5 DDBDRO C[C@@H]1[C@@H](NC(=O)NCCc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000920599394 713682102 /nfs/dbraw/zinc/68/21/02/713682102.db2.gz TUYFZWKSOOISLL-YPMHNXCESA-N 1 0 306.366 1.529 20 5 DDBDRO O=[N+]([O-])c1cccc2c1CC[N@@H+](C[C@H](O)C1(O)CCCC1)C2 ZINC000930100334 713756265 /nfs/dbraw/zinc/75/62/65/713756265.db2.gz SKNMWCJOYFOZAU-HNNXBMFYSA-N 1 0 306.362 1.619 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@H]([NH+](C)C)[C@@H]1C ZINC000931044360 713989731 /nfs/dbraw/zinc/98/97/31/713989731.db2.gz MMXVVMJWKISDHX-WFASDCNBSA-N 1 0 320.393 1.866 20 5 DDBDRO O=[N+]([O-])c1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)S3(=O)=O)c1 ZINC000922852184 714166312 /nfs/dbraw/zinc/16/63/12/714166312.db2.gz PVJCKKAZUVWWKE-QXMXGUDHSA-N 1 0 310.375 1.793 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H](O)c1ccnn1C ZINC000922975666 714202118 /nfs/dbraw/zinc/20/21/18/714202118.db2.gz WNBISQYFWBVVRD-OAHLLOKOSA-N 1 0 304.350 1.768 20 5 DDBDRO COc1ccc(C[NH2+][C@@H]2C[C@H](O)C23CCOCC3)cc1[N+](=O)[O-] ZINC000923022270 714216676 /nfs/dbraw/zinc/21/66/76/714216676.db2.gz YKWVUXIMDXIEHQ-CABCVRRESA-N 1 0 322.361 1.623 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CC[C@H](C3OCCO3)C2)cc1 ZINC000932003463 714230739 /nfs/dbraw/zinc/23/07/39/714230739.db2.gz PWASTLKWPCSLRX-GXTWGEPZSA-N 1 0 308.334 1.323 20 5 DDBDRO C[NH2+][C@H]1CCCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000923284213 714297453 /nfs/dbraw/zinc/29/74/53/714297453.db2.gz JKSPBXIGMOBMQG-GXTWGEPZSA-N 1 0 309.366 1.018 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000933438649 714589066 /nfs/dbraw/zinc/58/90/66/714589066.db2.gz BGSBDSMFPFMONP-PWSUYJOCSA-N 1 0 309.370 1.041 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)C[C@H]1CCC(=O)N1 ZINC000924956014 714707553 /nfs/dbraw/zinc/70/75/53/714707553.db2.gz WWTUFWRQZMCUEO-CMPLNLGQSA-N 1 0 307.350 1.750 20 5 DDBDRO O=[N+]([O-])c1ccc(F)cc1CN1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000934260296 714778509 /nfs/dbraw/zinc/77/85/09/714778509.db2.gz WDBIAULKMYMJLT-HOTGVXAUSA-N 1 0 323.368 1.765 20 5 DDBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000925423559 714852114 /nfs/dbraw/zinc/85/21/14/714852114.db2.gz QWTPSTMBCSDNHI-ZDUSSCGKSA-N 1 0 306.366 1.483 20 5 DDBDRO C[N@@H+]1CCO[C@H]2CN(c3ncnc4cc([N+](=O)[O-])ccc43)C[C@H]21 ZINC001164667329 719389159 /nfs/dbraw/zinc/38/91/59/719389159.db2.gz NVBGKOPMJYIDNC-KGLIPLIRSA-N 1 0 315.333 1.057 20 5 DDBDRO C[C@H](Nc1c2c(ccc1[N+](=O)[O-])NCC2)[C@H]1C[N@H+](C)CCN1C ZINC001120960725 782258606 /nfs/dbraw/zinc/25/86/06/782258606.db2.gz WTKRFGWXGPFIAZ-XHDPSFHLSA-N 1 0 319.409 1.609 20 5 DDBDRO [NH3+]Cc1cnc2c(ccn2-c2ncnc3[nH]cc([N+](=O)[O-])c32)c1 ZINC001167308285 733121171 /nfs/dbraw/zinc/12/11/71/733121171.db2.gz MUUSKVZAWAHQBU-UHFFFAOYSA-N 1 0 309.289 1.664 20 5 DDBDRO C[C@@H](NC(=O)[C@@]1(C)C[C@H](O)C[N@@H+]1C)c1ccc([N+](=O)[O-])cc1 ZINC000928246694 740129901 /nfs/dbraw/zinc/12/99/01/740129901.db2.gz LBZJLXMFZLQIGH-RIEGTJTDSA-N 1 0 307.350 1.227 20 5 DDBDRO CNC(=O)c1ccc(NC[C@H]2C[NH+]3CCC2CC3)c([N+](=O)[O-])c1 ZINC001187880815 744631657 /nfs/dbraw/zinc/63/16/57/744631657.db2.gz QYGRLZYGPDJCGL-ZDUSSCGKSA-N 1 0 318.377 1.708 20 5 DDBDRO C[NH+](C)CCC(=O)NC/C=C\CNc1ncccc1[N+](=O)[O-] ZINC001107490289 750046254 /nfs/dbraw/zinc/04/62/54/750046254.db2.gz YLQIPISDTGDNEC-ARJAWSKDSA-N 1 0 307.354 1.026 20 5 DDBDRO CC1(C)CC(C[N@H+]2CC=C(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)C1 ZINC001000675149 762078502 /nfs/dbraw/zinc/07/85/02/762078502.db2.gz RZDAHYJIFBTUGS-HUUCEWRRSA-N 1 0 321.421 1.836 20 5 DDBDRO CCC1(Nc2cc(C)c(OCC(=O)OC)c([N+](=O)[O-])c2)C[NH2+]C1 ZINC001168586873 751180516 /nfs/dbraw/zinc/18/05/16/751180516.db2.gz MGVHCBTYMSAWHI-UHFFFAOYSA-N 1 0 323.349 1.619 20 5 DDBDRO O=C1CCC2(CCC(C[NH2+][C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)N1 ZINC001168977966 762147225 /nfs/dbraw/zinc/14/72/25/762147225.db2.gz NGWPMANSJRVYFB-IQXANGCESA-N 1 0 309.410 1.860 20 5 DDBDRO O=C1C[C@H]([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CN1Cc1ccccc1 ZINC001168968403 762158612 /nfs/dbraw/zinc/15/86/12/762158612.db2.gz YUTCLYLGAIBXSW-PMPSAXMXSA-N 1 0 317.389 1.823 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(OC3COC3)c2)C1 ZINC001168974471 762163648 /nfs/dbraw/zinc/16/36/48/762163648.db2.gz QNRIMUYIGHOOJZ-ZIAGYGMSSA-N 1 0 306.362 1.999 20 5 DDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CC2(c3cnccn3)CCOCC2)C1 ZINC001168991972 762165492 /nfs/dbraw/zinc/16/54/92/762165492.db2.gz IONGPHWASFGSJA-UONOGXRCSA-N 1 0 320.393 1.560 20 5 DDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]C2CCN(c3ccncn3)CC2)C1 ZINC001168999688 762171606 /nfs/dbraw/zinc/17/16/06/762171606.db2.gz ULRJAKJAKOSNCN-GXTWGEPZSA-N 1 0 305.382 1.480 20 5 DDBDRO CC(C)(C)OC(=O)NCC1C[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169011059 762178092 /nfs/dbraw/zinc/17/80/92/762178092.db2.gz HWPPIQYOBBMWGH-AAEUAGOBSA-N 1 0 313.398 1.888 20 5 DDBDRO C[NH+](C)C[C@H]1Cn2ccnc2CN([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169021795 762201151 /nfs/dbraw/zinc/20/11/51/762201151.db2.gz QQBPWGMYTYQJOU-KKUMJFAQSA-N 1 0 321.425 1.322 20 5 DDBDRO Cc1cncnc1O[C@@H]1CC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169053209 762207678 /nfs/dbraw/zinc/20/76/78/762207678.db2.gz IEJSUKLVBVTMAX-MGPQQGTHSA-N 1 0 306.366 1.684 20 5 DDBDRO O=C(N[C@@H]1CCC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1)C1CCC1 ZINC001169057438 762211306 /nfs/dbraw/zinc/21/13/06/762211306.db2.gz VIOXNHDUPCBKPX-BPLDGKMQSA-N 1 0 309.410 1.813 20 5 DDBDRO Cc1cnc(NCc2ncn3c2C[NH2+]CCC3)cc1[N+](=O)[O-] ZINC001169241945 762306096 /nfs/dbraw/zinc/30/60/96/762306096.db2.gz ARXMEACMXUDFSE-UHFFFAOYSA-N 1 0 302.338 1.600 20 5 DDBDRO CC(C)(C)[NH+]1CCN(c2cc([N+](=O)[O-])cc(Cl)[n+]2[O-])CC1 ZINC001165091733 756872126 /nfs/dbraw/zinc/87/21/26/756872126.db2.gz ZEZZHPXVQXMHHC-UHFFFAOYSA-N 1 0 314.773 1.802 20 5 DDBDRO C[NH+](C)C[C@@]12C[C@@H]1CN(c1cnc3ccc([N+](=O)[O-])cc3n1)C2 ZINC001156376074 762670092 /nfs/dbraw/zinc/67/00/92/762670092.db2.gz MHURBLQUGZFLLH-BDJLRTHQSA-N 1 0 313.361 1.926 20 5 DDBDRO O=C(N[C@H]1C[C@H]([NH2+]CC2CCC3(CC3)CC2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001020139478 760614094 /nfs/dbraw/zinc/61/40/94/760614094.db2.gz ALERMNFYCMSRFS-KBUPBQIOSA-N 1 0 321.421 1.859 20 5 DDBDRO C[C@@H]1CN(C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)CC[NH2+]1 ZINC001156689001 763666643 /nfs/dbraw/zinc/66/66/43/763666643.db2.gz ICYBEFHRUIYHMR-SSDOTTSWSA-N 1 0 306.700 1.986 20 5 DDBDRO CC[N@H+](C)CCC(=O)N(C)CCCNc1ncccc1[N+](=O)[O-] ZINC001109520992 763780441 /nfs/dbraw/zinc/78/04/41/763780441.db2.gz VGPUNZZLTALPTP-UHFFFAOYSA-N 1 0 323.397 1.592 20 5 DDBDRO C[C@H](Nc1ncc2cccc([N+](=O)[O-])c2n1)[C@H]1C[NH2+]CCO1 ZINC001170566656 768172471 /nfs/dbraw/zinc/17/24/71/768172471.db2.gz AXNLIHASULEWHD-JOYOIKCWSA-N 1 0 303.322 1.327 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N(C)[C@]2(C)CCC[NH2+]C2)n1 ZINC001156978207 764252286 /nfs/dbraw/zinc/25/22/86/764252286.db2.gz ZLINRKGBDJSGQV-CQSZACIVSA-N 1 0 308.338 1.355 20 5 DDBDRO C[C@@H](Nc1ccc([N+](=O)[O-])c2c1CCN(C)C2)[C@@H]1C[NH2+]CCO1 ZINC001170577367 768264068 /nfs/dbraw/zinc/26/40/68/768264068.db2.gz ZFFNTXJYUKMEBX-BZNIZROVSA-N 1 0 320.393 1.372 20 5 DDBDRO COc1ccc(C[C@H](C)[NH2+][C@H]2CCCNC2=O)c([N+](=O)[O-])c1 ZINC001170297814 766227146 /nfs/dbraw/zinc/22/71/46/766227146.db2.gz SPDHZKOZIGNIKE-GWCFXTLKSA-N 1 0 307.350 1.403 20 5 DDBDRO COc1ccc(C[C@@H](C)[NH2+][C@H]2CCCC(=O)NC2)c([N+](=O)[O-])c1 ZINC001170305844 766231345 /nfs/dbraw/zinc/23/13/45/766231345.db2.gz QPFSRAWVAGNYHH-YPMHNXCESA-N 1 0 321.377 1.793 20 5 DDBDRO COc1ccc(C[C@@H](C)[N@@H+]2CCOC[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC001170334100 766256467 /nfs/dbraw/zinc/25/64/67/766256467.db2.gz BLDCXUKLPVYLEM-YPMHNXCESA-N 1 0 310.350 1.228 20 5 DDBDRO COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2CNC(=O)C2)c([N+](=O)[O-])c1 ZINC001170307438 766258515 /nfs/dbraw/zinc/25/85/15/766258515.db2.gz FVLQCPPVYMDNGC-GHMZBOCLSA-N 1 0 307.350 1.260 20 5 DDBDRO CCOC(=O)C1=C(Nc2cc([N+](=O)[O-])cnc2OC)CC[NH2+]C1 ZINC001170516690 767741554 /nfs/dbraw/zinc/74/15/54/767741554.db2.gz UKEIZEFQJBQIPK-UHFFFAOYSA-N 1 0 322.321 1.221 20 5 DDBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N2CC[NH2+]C3(CC3)C2)n1 ZINC001158933658 770106323 /nfs/dbraw/zinc/10/63/23/770106323.db2.gz RVOJPRHIMRFPKE-UHFFFAOYSA-N 1 0 315.786 1.702 20 5 DDBDRO O=C(Cc1cscn1)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001134856276 771209539 /nfs/dbraw/zinc/20/95/39/771209539.db2.gz CQHGQNVSEHAEKN-UHFFFAOYSA-N 1 0 320.374 1.500 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(OC(C)C)cc1N[C@@H]1C[NH2+]C[C@H]1CO ZINC001170790470 771318433 /nfs/dbraw/zinc/31/84/33/771318433.db2.gz XKAHVOPEGZXZTD-WCQYABFASA-N 1 0 309.366 1.683 20 5 DDBDRO Cc1ccc(N[C@H]2C[C@H](NC(=O)CC[NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC001097096837 771622463 /nfs/dbraw/zinc/62/24/63/771622463.db2.gz VXWHFEJDPOGAAM-JOCQHMNTSA-N 1 0 320.393 1.914 20 5 DDBDRO O=C(NCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1nccs1 ZINC001135660231 771634501 /nfs/dbraw/zinc/63/45/01/771634501.db2.gz ZNDNWGUEEBASFL-UHFFFAOYSA-N 1 0 306.347 1.571 20 5 DDBDRO CC[C@]([NH3+])(CO)Nc1cc(Cl)c([N+](=O)[O-])cc1C(=O)OC ZINC001170865806 771786736 /nfs/dbraw/zinc/78/67/36/771786736.db2.gz JDTOJQORSHKFMI-GFCCVEGCSA-N 1 0 317.729 1.504 20 5 DDBDRO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1cc([N+](=O)[O-])ccc1Cl ZINC001170874695 771812797 /nfs/dbraw/zinc/81/27/97/771812797.db2.gz ZSNSUMQJRDXAAA-BXKDBHETSA-N 1 0 313.741 1.811 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(NCCNC(=O)C23CC[NH+](CC2)C3)c1 ZINC001093768990 775066378 /nfs/dbraw/zinc/06/63/78/775066378.db2.gz UDYUWYDKOXMUJU-UHFFFAOYSA-N 1 0 318.377 1.527 20 5 DDBDRO CC[N@H+](C)C(C)(C)C(=O)NCCNc1ccc([N+](=O)[O-])cn1 ZINC001093952609 775259707 /nfs/dbraw/zinc/25/97/07/775259707.db2.gz HWFGRJJUVRHWLV-UHFFFAOYSA-N 1 0 309.370 1.248 20 5 DDBDRO Cc1cnc(NCCNC(=O)CCC[NH+](C)C)c([N+](=O)[O-])c1 ZINC001094093939 775426638 /nfs/dbraw/zinc/42/66/38/775426638.db2.gz GNQHUQKEOHGHGK-UHFFFAOYSA-N 1 0 309.370 1.168 20 5 DDBDRO CC(C)[N@H+](C)CC(=O)NCCCNc1ccc([N+](=O)[O-])cc1 ZINC001094456570 775894495 /nfs/dbraw/zinc/89/44/95/775894495.db2.gz JQXOIVGALMOYIZ-UHFFFAOYSA-N 1 0 308.382 1.853 20 5 DDBDRO CCC[N@H+](C)CC(=O)NCCCNc1nccc(C)c1[N+](=O)[O-] ZINC001094517466 775976040 /nfs/dbraw/zinc/97/60/40/775976040.db2.gz STVPGLKNFVWYBJ-UHFFFAOYSA-N 1 0 323.397 1.558 20 5 DDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCCN(C2COC2)C1 ZINC001173219131 777050669 /nfs/dbraw/zinc/05/06/69/777050669.db2.gz XEJNWJRQQJYITN-UKRRQHHQSA-N 1 0 319.405 1.979 20 5 DDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCN1CCOC[C@H]1C ZINC001173222642 777056109 /nfs/dbraw/zinc/05/61/09/777056109.db2.gz YJEOWVBUSBOVFU-UONOGXRCSA-N 1 0 307.394 1.836 20 5 DDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCN1CCOC[C@@H]1C ZINC001173222640 777056310 /nfs/dbraw/zinc/05/63/10/777056310.db2.gz YJEOWVBUSBOVFU-KBPBESRZSA-N 1 0 307.394 1.836 20 5 DDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC1(C(N)=O)CCOCC1 ZINC001173211599 777067369 /nfs/dbraw/zinc/06/73/69/777067369.db2.gz UBVDIKPCPJVMPX-LBPRGKRZSA-N 1 0 321.377 1.398 20 5 DDBDRO Nc1cc(N2CCC[N@@H+]3CCC[C@H]3C2)cc(CO)c1[N+](=O)[O-] ZINC001117284247 780704989 /nfs/dbraw/zinc/70/49/89/780704989.db2.gz CDOMHAKUKYNOCS-LBPRGKRZSA-N 1 0 306.366 1.344 20 5 DDBDRO Cc1cc(Cl)c(C(=O)NOCC[NH+](C)C)cc1[N+](=O)[O-] ZINC001118764506 781236538 /nfs/dbraw/zinc/23/65/38/781236538.db2.gz QBQCUMMYPFLOIX-UHFFFAOYSA-N 1 0 301.730 1.780 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC001119948626 781693565 /nfs/dbraw/zinc/69/35/65/781693565.db2.gz QELVHAFMNDOANR-WCQYABFASA-N 1 0 305.382 1.781 20 5 DDBDRO CCN(CC[NH2+]Cc1c([N+](=O)[O-])ncn1C)C(=O)C1(C)CCC1 ZINC001268471255 840252941 /nfs/dbraw/zinc/25/29/41/840252941.db2.gz MKZFNPDADAINND-UHFFFAOYSA-N 1 0 323.397 1.457 20 5 DDBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N[C@@H]2CCC[C@@H]([NH3+])C2)n1 ZINC001154988905 861623118 /nfs/dbraw/zinc/62/31/18/861623118.db2.gz HRLAJIPECCDOAZ-NXEZZACHSA-N 1 0 308.342 1.333 20 5 DDBDRO O=C(NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cn[nH]c1 ZINC001155016062 861647850 /nfs/dbraw/zinc/64/78/50/861647850.db2.gz FVMNVZKMZLCVOD-UHFFFAOYSA-N 1 0 303.322 1.228 20 5 DDBDRO COC(=O)[C@@H]([NH3+])C1CCN(c2ncc([N+](=O)[O-])cc2C)CC1 ZINC001155155223 861781773 /nfs/dbraw/zinc/78/17/73/861781773.db2.gz WUFCOVJEBGGXRR-LBPRGKRZSA-N 1 0 308.338 1.015 20 5 DDBDRO CCOC1(OCC)CC[NH2+]C[C@H]1Nc1ncc(C)cc1[N+](=O)[O-] ZINC001155224520 861859918 /nfs/dbraw/zinc/85/99/18/861859918.db2.gz HBRRRVNQNGOQGP-CYBMUJFWSA-N 1 0 324.381 1.841 20 5 DDBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC001150030317 862038140 /nfs/dbraw/zinc/03/81/40/862038140.db2.gz LHNSTEVKAGJJNX-JQWIXIFHSA-N 1 0 320.349 1.252 20 5 DDBDRO CCOc1nc(NC[C@H]2OC[C@H]3C[NH2+]CC[C@H]32)ccc1[N+](=O)[O-] ZINC001155526103 862193778 /nfs/dbraw/zinc/19/37/78/862193778.db2.gz CCRGPFRIAKLQKI-NQBHXWOUSA-N 1 0 322.365 1.425 20 5 DDBDRO CC(C)(C)C(=O)C(=O)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001155905229 862544980 /nfs/dbraw/zinc/54/49/80/862544980.db2.gz LGYXJWJBTNMWDT-UHFFFAOYSA-N 1 0 321.377 1.806 20 5 DDBDRO COc1nc(C)c([N+](=O)[O-])c(N2C[C@H]3C[C@@]3(C[NH+](C)C)C2)n1 ZINC001156386229 862996870 /nfs/dbraw/zinc/99/68/70/862996870.db2.gz XJCNVUGEXNNOIM-QMTHXVAHSA-N 1 0 307.354 1.090 20 5 DDBDRO CCn1c(C[N+](=O)[O-])nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001121792185 858598149 /nfs/dbraw/zinc/59/81/49/858598149.db2.gz SLTLXRYETRYDMO-ZDUSSCGKSA-N 1 0 322.413 1.387 20 5 DDBDRO CC(C)(NC(=O)[C@H]1[C@@H]2CC[NH2+]C[C@@H]21)c1ccc([N+](=O)[O-])cc1 ZINC001121895763 858621866 /nfs/dbraw/zinc/62/18/66/858621866.db2.gz YAUPWXJAMDJVJC-RDBSUJKOSA-N 1 0 303.362 1.802 20 5 DDBDRO COc1cc(C(=O)N2CCC[C@]23CC[NH2+]C3)cc([N+](=O)[O-])c1C ZINC001122411081 858797500 /nfs/dbraw/zinc/79/75/00/858797500.db2.gz GVMAKRHGUOCXQZ-MRXNPFEDSA-N 1 0 319.361 1.880 20 5 DDBDRO Cc1cc(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)on1 ZINC001123422856 859229016 /nfs/dbraw/zinc/22/90/16/859229016.db2.gz CUHXTVKJFHZNHH-UHFFFAOYSA-N 1 0 304.306 1.411 20 5 DDBDRO CC(C)OCCC(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001123835257 859434454 /nfs/dbraw/zinc/43/44/54/859434454.db2.gz VMXXSKNPJAZKAC-UHFFFAOYSA-N 1 0 315.395 1.677 20 5 DDBDRO CC(C)C[NH2+]CC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC001325826247 860862236 /nfs/dbraw/zinc/86/22/36/860862236.db2.gz QMDURRGGVGHMHT-UHFFFAOYSA-N 1 0 309.370 1.200 20 5 DDBDRO O=c1c(Br)cc([N+](=O)[O-])cn1C[C@H]1CCC[NH2+]C1 ZINC001326017878 861043404 /nfs/dbraw/zinc/04/34/04/861043404.db2.gz JHGKIVLOVOWCKC-QMMMGPOBSA-N 1 0 316.155 1.519 20 5 DDBDRO CSCCC(=O)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001154442937 861109469 /nfs/dbraw/zinc/10/94/69/861109469.db2.gz CRACHEXAHZUBDM-UHFFFAOYSA-N 1 0 311.407 1.944 20 5 DDBDRO COC(=O)C1(Nc2ncc([N+](=O)[O-])c(C)c2C)CC[NH2+]CC1 ZINC001156536772 863129018 /nfs/dbraw/zinc/12/90/18/863129018.db2.gz ZPTOSMKQZZKKLM-UHFFFAOYSA-N 1 0 308.338 1.314 20 5 DDBDRO O=[N+]([O-])c1cc(S(=O)(=O)N2CCn3cncc3C2)cs1 ZINC001329956090 863973451 /nfs/dbraw/zinc/97/34/51/863973451.db2.gz FJENMSISCWBMPS-UHFFFAOYSA-N 1 0 314.348 1.057 20 5 DDBDRO O=C(NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ncc[nH]1 ZINC001157628008 863988044 /nfs/dbraw/zinc/98/80/44/863988044.db2.gz HIFOCOZISUBKJV-UHFFFAOYSA-N 1 0 303.322 1.228 20 5 DDBDRO CCC[N@H+]1C[C@H]2CN(c3ccc([N+](=O)[O-])c(OC)n3)C[C@H]2C1 ZINC001157688026 864046535 /nfs/dbraw/zinc/04/65/35/864046535.db2.gz ALSCOCVADGVFHO-TXEJJXNPSA-N 1 0 306.366 1.776 20 5 DDBDRO O=C(NCCC[NH2+]Cc1csc(Cl)n1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157767574 864118850 /nfs/dbraw/zinc/11/88/50/864118850.db2.gz QZYPOAZECJXHBV-RKDXNWHRSA-N 1 0 318.786 1.058 20 5 DDBDRO [NH3+][C@@H]1CCc2nn(-c3ncnc4cccc([N+](=O)[O-])c43)cc2C1 ZINC001157986746 864332972 /nfs/dbraw/zinc/33/29/72/864332972.db2.gz DTRCZWSACDEBIZ-SNVBAGLBSA-N 1 0 310.317 1.540 20 5 DDBDRO COc1nc(C)c([N+](=O)[O-])c(-n2cnc3ccc(C[NH3+])cc32)n1 ZINC001158006325 864354549 /nfs/dbraw/zinc/35/45/49/864354549.db2.gz ULHUZKRABCFCKJ-UHFFFAOYSA-N 1 0 314.305 1.499 20 5 DDBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC001158180242 864473231 /nfs/dbraw/zinc/47/32/31/864473231.db2.gz XEQXSHZRTRODMH-NXEZZACHSA-N 1 0 308.338 1.353 20 5 DDBDRO COc1cc2ncnc(-n3ccc([C@H](C)[NH3+])n3)c2cc1[N+](=O)[O-] ZINC001158351407 864596734 /nfs/dbraw/zinc/59/67/34/864596734.db2.gz ZSCNDTICDUGJSY-QMMMGPOBSA-N 1 0 314.305 1.752 20 5 DDBDRO O=[N+]([O-])c1cc(Cl)[n+]([O-])c(NCC23CC[NH+](CC2)CC3)c1 ZINC001158827913 864922871 /nfs/dbraw/zinc/92/28/71/864922871.db2.gz XXQHPJZICBSTMN-UHFFFAOYSA-N 1 0 312.757 1.779 20 5 DDBDRO CSc1nc(Cl)nc(NC[C@H]2COCC[NH2+]2)c1[N+](=O)[O-] ZINC001159044379 865069785 /nfs/dbraw/zinc/06/97/85/865069785.db2.gz WBDLVCUTBUUBHV-LURJTMIESA-N 1 0 319.774 1.160 20 5 DDBDRO C[C@@H](Nc1ccc2ccc([N+](=O)[O-])cc2n1)[C@H]1C[NH2+]CCO1 ZINC001159499814 865355308 /nfs/dbraw/zinc/35/53/08/865355308.db2.gz VRFXRLTYBSYQKR-QMTHXVAHSA-N 1 0 302.334 1.932 20 5 DDBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(NC[C@H]2CCCC[NH2+]2)n1 ZINC001160156033 865702607 /nfs/dbraw/zinc/70/26/07/865702607.db2.gz ZTEZTMLBOKTLAW-SNVBAGLBSA-N 1 0 308.342 1.206 20 5 DDBDRO C[NH+](C)C1(CNC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001332352831 865781210 /nfs/dbraw/zinc/78/12/10/865781210.db2.gz UUUYZVGGFCTYTJ-UHFFFAOYSA-N 1 0 304.350 1.714 20 5 DDBDRO CC1CC[NH+](CCc2nnc(Cn3ccc([N+](=O)[O-])n3)o2)CC1 ZINC001322931140 866199404 /nfs/dbraw/zinc/19/94/04/866199404.db2.gz HUYQEKCATGPTTM-UHFFFAOYSA-N 1 0 320.353 1.497 20 5 DDBDRO CCOC(=O)/C=C/C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC001333035489 866358560 /nfs/dbraw/zinc/35/85/60/866358560.db2.gz CCPDZGNWCFAUBL-ONEGZZNKSA-N 1 0 308.338 1.548 20 5 DDBDRO Cc1c(C[NH+]2CCC(OCC(N)=O)CC2)cccc1[N+](=O)[O-] ZINC001323613818 866722058 /nfs/dbraw/zinc/72/20/58/866722058.db2.gz JLENMTZWMWZPPK-UHFFFAOYSA-N 1 0 307.350 1.370 20 5 DDBDRO O=C(NC[C@@H]1C[NH2+]CCC1(F)F)c1c(F)cccc1[N+](=O)[O-] ZINC001333770333 866997358 /nfs/dbraw/zinc/99/73/58/866997358.db2.gz FSYITHBQGVLAMU-QMMMGPOBSA-N 1 0 317.267 1.709 20 5 DDBDRO COCCC1([NH3+])CCN(c2cc(OC)c([N+](=O)[O-])cn2)CC1 ZINC001162041812 867212195 /nfs/dbraw/zinc/21/21/95/867212195.db2.gz QCWNDKNSJTVYLG-UHFFFAOYSA-N 1 0 310.354 1.333 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H](C)CN2CC[NH2+]CC2)c1 ZINC001162098043 867251387 /nfs/dbraw/zinc/25/13/87/867251387.db2.gz BIWGWHHXUJJOAF-NSHDSACASA-N 1 0 322.365 1.087 20 5 DDBDRO [NH3+]Cc1nc2cnccc2n1-c1cc([N+](=O)[O-])cc(Cl)n1 ZINC001162215333 867346779 /nfs/dbraw/zinc/34/67/79/867346779.db2.gz UOCGFOZDGCCMRJ-UHFFFAOYSA-N 1 0 304.697 1.836 20 5 DDBDRO Cc1nnc(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)n1C ZINC001321282524 867460106 /nfs/dbraw/zinc/46/01/06/867460106.db2.gz KFJMGKGBHCNKEN-NEPJUHHUSA-N 1 0 319.369 1.502 20 5 DDBDRO CC(C)(C)OC(=O)c1ccc(N[C@@H]2COC[C@@H]2[NH3+])cc1[N+](=O)[O-] ZINC001162925156 867922171 /nfs/dbraw/zinc/92/21/71/867922171.db2.gz PGLGFCFVNLBUKG-NWDGAFQWSA-N 1 0 323.349 1.688 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])cnc1NC1CC2(C1)CCC[NH2+]C2 ZINC001162980827 867972286 /nfs/dbraw/zinc/97/22/86/867972286.db2.gz AIGRKTSAHKUKAX-UHFFFAOYSA-N 1 0 320.349 1.721 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])cc(N[C@@]23CCC[C@@H]2[NH2+]CC3)n1 ZINC001162984388 867973302 /nfs/dbraw/zinc/97/33/02/867973302.db2.gz VJZVXFLYZHHSDI-SMDDNHRTSA-N 1 0 306.322 1.473 20 5 DDBDRO O=[N+]([O-])c1c2[nH]cnc2ccc1N[C@H]1COCCC12C[NH2+]C2 ZINC001163078680 868060929 /nfs/dbraw/zinc/06/09/29/868060929.db2.gz DCUZOWRVSXMJHR-NSHDSACASA-N 1 0 303.322 1.262 20 5 DDBDRO [NH3+]Cc1ccc(-c2cn(-c3cc([N+](=O)[O-])cc[n+]3[O-])cn2)cc1 ZINC001163215877 868220582 /nfs/dbraw/zinc/22/05/82/868220582.db2.gz PQXKMFABLVVQSL-UHFFFAOYSA-N 1 0 311.301 1.540 20 5 DDBDRO COc1cc([N+](=O)[O-])cnc1N[C@@H]1CCO[C@@]2(CC[NH2+]C2)C1 ZINC001163302966 868325207 /nfs/dbraw/zinc/32/52/07/868325207.db2.gz AHHPAIMDHVFLEA-YGRLFVJLSA-N 1 0 308.338 1.321 20 5 DDBDRO C[NH2+]CCN(C)c1ccc(-c2ccc(F)c([N+](=O)[O-])c2)nn1 ZINC001163722683 868656643 /nfs/dbraw/zinc/65/66/43/868656643.db2.gz YCZUCKHJONZMFQ-UHFFFAOYSA-N 1 0 305.313 1.847 20 5 DDBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@H]1C[NH+]2CCC1CC2 ZINC001336041869 868693139 /nfs/dbraw/zinc/69/31/39/868693139.db2.gz RMLSGCFPEXAOQK-AWEZNQCLSA-N 1 0 321.402 1.897 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc2nc(N)sc2c1 ZINC001226135970 882227399 /nfs/dbraw/zinc/22/73/99/882227399.db2.gz KWQZMNHECCKDCX-SECBINFHSA-N 1 0 310.399 1.241 20 5 DDBDRO COc1cccc(C(=O)NC[C@@H]2CCCC[N@@H+]2C)c1[N+](=O)[O-] ZINC001336223741 868801016 /nfs/dbraw/zinc/80/10/16/868801016.db2.gz MIIXPVVUKIFVJN-NSHDSACASA-N 1 0 307.350 1.818 20 5 DDBDRO CCO[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1NC)C[NH+](C)C ZINC001336529577 868995776 /nfs/dbraw/zinc/99/57/76/868995776.db2.gz BAHURFKCIDWRPX-LBPRGKRZSA-N 1 0 324.381 1.333 20 5 DDBDRO CC(C)[N@@H+]1CC[C@@H](C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001336762922 869128881 /nfs/dbraw/zinc/12/88/81/869128881.db2.gz JQZIEUZWERRKAH-BBRMVZONSA-N 1 0 307.394 1.948 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]Cc2cc3n(n2)CCCC3)c1 ZINC001336847046 869180662 /nfs/dbraw/zinc/18/06/62/869180662.db2.gz BQVPKYMVAWIRKS-MRXNPFEDSA-N 1 0 316.361 1.951 20 5 DDBDRO O=C(Cc1cnoc1)NCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001164459552 869207117 /nfs/dbraw/zinc/20/71/17/869207117.db2.gz WZWNQBLJMJTVAB-UHFFFAOYSA-N 1 0 324.362 1.483 20 5 DDBDRO CCOc1nc(N2C[C@@H]3C[C@]3(C[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC001165182804 869418577 /nfs/dbraw/zinc/41/85/77/869418577.db2.gz APLLZFZCIAEUOJ-NHYWBVRUSA-N 1 0 306.366 1.776 20 5 DDBDRO O=[N+]([O-])c1cnc(N2CC[C@@]3(C2)CCC[NH2+]C3)c([N+](=O)[O-])c1 ZINC001165236893 869455593 /nfs/dbraw/zinc/45/55/93/869455593.db2.gz OSWJCEHIYRDXFE-ZDUSSCGKSA-N 1 0 307.310 1.478 20 5 DDBDRO COc1cc2ncnc(N3CC[C@@H]4[NH2+]CC[C@H]43)c2cc1[N+](=O)[O-] ZINC001165299398 869505917 /nfs/dbraw/zinc/50/59/17/869505917.db2.gz LOAGEYKXGWOKCX-CMPLNLGQSA-N 1 0 315.333 1.487 20 5 DDBDRO [NH3+]C1([C@@H]2CN(c3ccc4[nH]cc([N+](=O)[O-])c4n3)C[C@@H]2CF)CC1 ZINC001165431629 869595310 /nfs/dbraw/zinc/59/53/10/869595310.db2.gz FZCSFOOWIBIYNH-VHSXEESVSA-N 1 0 319.340 1.984 20 5 DDBDRO CC(C)C1(C(=O)NCCC[NH2+]Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC001166263360 869925825 /nfs/dbraw/zinc/92/58/25/869925825.db2.gz QZVBIISTZCOOBZ-UHFFFAOYSA-N 1 0 323.397 1.360 20 5 DDBDRO [NH3+]C[C@H]1CN(c2ccc(-c3ccccc3[N+](=O)[O-])nn2)CCO1 ZINC001166939475 870400164 /nfs/dbraw/zinc/40/01/64/870400164.db2.gz HCQXJAYUTOXDDV-NSHDSACASA-N 1 0 315.333 1.216 20 5 DDBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC001340135056 870914186 /nfs/dbraw/zinc/91/41/86/870914186.db2.gz SCYVYJVUBLZZMS-JTQLQIEISA-N 1 0 311.363 1.116 20 5 DDBDRO CC[C@H]([NH2+]C[C@@H](O)C[C@]1(O)CCOC1)c1cccc([N+](=O)[O-])c1 ZINC001307634083 871445576 /nfs/dbraw/zinc/44/55/76/871445576.db2.gz YBNVOWIYDOUCGU-HRCADAONSA-N 1 0 324.377 1.538 20 5 DDBDRO C[C@H](NC(=O)[C@@H]1[NH2+]CC12CCOCC2)c1ccc([N+](=O)[O-])cc1 ZINC001340994167 871457583 /nfs/dbraw/zinc/45/75/83/871457583.db2.gz CVOSLSSXPXWNTI-FZMZJTMJSA-N 1 0 319.361 1.541 20 5 DDBDRO C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)CCn1cnnc1 ZINC001308050427 871465645 /nfs/dbraw/zinc/46/56/45/871465645.db2.gz GWNDYKUDUZCARJ-UHFFFAOYSA-N 1 0 305.338 1.587 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1C[C@H](CCO)[C@H](CO)C1 ZINC001308982659 871543319 /nfs/dbraw/zinc/54/33/19/871543319.db2.gz FVLIVSWWJKWIIW-KBPBESRZSA-N 1 0 308.378 1.634 20 5 DDBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)NCC12CC(C1)C[NH2+]2 ZINC001342252275 872104948 /nfs/dbraw/zinc/10/49/48/872104948.db2.gz WTFYKBFBCUGGAH-UHFFFAOYSA-N 1 0 307.375 1.799 20 5 DDBDRO O=C(CNc1ccccc1[N+](=O)[O-])N1CC[C@]2(C1)CCCC[NH2+]2 ZINC001342731667 872357322 /nfs/dbraw/zinc/35/73/22/872357322.db2.gz SVZSTBASJGDWKX-INIZCTEOSA-N 1 0 318.377 1.751 20 5 DDBDRO CC(C)(C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1ccc([N+](=O)[O-])cc1 ZINC001342943230 872447421 /nfs/dbraw/zinc/44/74/21/872447421.db2.gz KITONWZEIWJCNI-KWCYVHTRSA-N 1 0 303.362 1.882 20 5 DDBDRO [NH3+]CC[C@H](NC(=O)CCc1cc(F)ccc1[N+](=O)[O-])C(F)F ZINC001343506684 872651658 /nfs/dbraw/zinc/65/16/58/872651658.db2.gz SKQFRCFROGCNRI-JTQLQIEISA-N 1 0 319.283 1.765 20 5 DDBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1nnnn1C ZINC001207732613 873511961 /nfs/dbraw/zinc/51/19/61/873511961.db2.gz MEVZKIIHWBTRAQ-QWRGUYRKSA-N 1 0 304.354 1.790 20 5 DDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[NH2+]CC1 ZINC001346440103 873754226 /nfs/dbraw/zinc/75/42/26/873754226.db2.gz CCSAQIIIPVGQAJ-LLVKDONJSA-N 1 0 306.366 1.756 20 5 DDBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1Nc1ccc2ncc([N+](=O)[O-])n2n1 ZINC001348031228 874339568 /nfs/dbraw/zinc/33/95/68/874339568.db2.gz IQROKTLJSHSKOU-KOLCDFICSA-N 1 0 302.338 1.532 20 5 DDBDRO CO[C@@H]1CC[N@H+](CCOc2nc3ccc([N+](=O)[O-])cc3o2)C1 ZINC001227232545 882921336 /nfs/dbraw/zinc/92/13/36/882921336.db2.gz UIOHWCOTLVCMKW-LLVKDONJSA-N 1 0 307.306 1.836 20 5 DDBDRO COc1cncc(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC001353248232 877211823 /nfs/dbraw/zinc/21/18/23/877211823.db2.gz SONAVRIHZPONGO-HNNXBMFYSA-N 1 0 303.318 1.822 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H](OC[C@H]1C[C@@H]3CC[NH2+]C[C@@H]3O1)C2 ZINC001217788133 877324036 /nfs/dbraw/zinc/32/40/36/877324036.db2.gz GZLJKVMEHCDJPM-DXEWXGHRSA-N 1 0 318.373 1.846 20 5 DDBDRO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1O[C@H]1CCC[NH2+]C1 ZINC001218279906 877441647 /nfs/dbraw/zinc/44/16/47/877441647.db2.gz VAFNEEMNMCDTSX-JTQLQIEISA-N 1 0 300.336 1.129 20 5 DDBDRO Nc1cc2nc3ccccc3nc2cc1NC(=O)[C@H]1[NH2+]CC[C@@H]1O ZINC001218860272 877772551 /nfs/dbraw/zinc/77/25/51/877772551.db2.gz VWTYJIRCGRVISR-HOTGVXAUSA-N 1 0 323.356 1.027 20 5 DDBDRO O=C([C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001355095186 878424136 /nfs/dbraw/zinc/42/41/36/878424136.db2.gz PXTRBVNIUZHVQC-SJXGUFTOSA-N 1 0 315.373 1.766 20 5 DDBDRO C[C@@H](CNC(=O)[C@]12CC[C@H]1C[NH2+]C2)c1ccccc1[N+](=O)[O-] ZINC001355315631 878496206 /nfs/dbraw/zinc/49/62/06/878496206.db2.gz HTAONBDVSPMMTC-MKBNYLNASA-N 1 0 303.362 1.814 20 5 DDBDRO O=C(N[C@]12CCC[C@H]1C[NH2+]C2)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001355730102 878694269 /nfs/dbraw/zinc/69/42/69/878694269.db2.gz MLIBLPCJNFTSQM-FAYQHZLMSA-N 1 0 315.373 1.957 20 5 DDBDRO C[NH+](C)[C@@H]1C[C@@H](NC[C@H](O)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC001357242083 879874999 /nfs/dbraw/zinc/87/49/99/879874999.db2.gz LCWWDTNASGXJFY-RRFJBIMHSA-N 1 0 307.394 1.947 20 5 DDBDRO Cc1ccc([C@H](C)NC(=O)[C@H]2[C@@H]3CC[NH2+]C[C@@H]32)cc1[N+](=O)[O-] ZINC001357321738 879913281 /nfs/dbraw/zinc/91/32/81/879913281.db2.gz IVQDOVRVJVHFFJ-QJZXMWHDSA-N 1 0 303.362 1.936 20 5 DDBDRO CC[N@@H+]1CC[C@@H](OCc2cc(C(=O)OC)cc([N+](=O)[O-])c2)C1 ZINC001223688266 881058373 /nfs/dbraw/zinc/05/83/73/881058373.db2.gz HEDWMPUGYOOTKV-CQSZACIVSA-N 1 0 308.334 1.992 20 5 DDBDRO Cc1cc(F)cc([N+](=O)[O-])c1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001229197203 883866463 /nfs/dbraw/zinc/86/64/63/883866463.db2.gz DCFLRBUSCKLKRF-LLVKDONJSA-N 1 0 315.321 1.405 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc2c(c1)OC(F)(F)O2 ZINC001231348618 885532172 /nfs/dbraw/zinc/53/21/72/885532172.db2.gz HCNJWQIJYXNAIB-SECBINFHSA-N 1 0 318.296 1.371 20 5 DDBDRO C[C@H](C[N+](C)(C)C)Oc1nc(=O)[nH]cc1[C@H]1CCCC(=O)C1 ZINC001231380616 885583095 /nfs/dbraw/zinc/58/30/95/885583095.db2.gz NDQUNVQDKGPASA-NEPJUHHUSA-O 1 0 308.402 1.882 20 5 DDBDRO CCOc1nccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)c1Cl ZINC001234956128 888274496 /nfs/dbraw/zinc/27/44/96/888274496.db2.gz GLWCMDJLYKAHJC-SNVBAGLBSA-N 1 0 317.793 1.496 20 5 DDBDRO [NH3+]CCc1ncn(C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC001254466156 896454317 /nfs/dbraw/zinc/45/43/17/896454317.db2.gz VOSWHZFMTKVKQT-UHFFFAOYSA-N 1 0 316.365 1.529 20 5 DDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCC(NC(N)=O)CC1 ZINC001254550047 896498628 /nfs/dbraw/zinc/49/86/28/896498628.db2.gz BZAHDKMHPXKNTQ-NSHDSACASA-N 1 0 306.366 1.659 20 5 DDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCc2nncn2CC1 ZINC001254553497 896498669 /nfs/dbraw/zinc/49/86/69/896498669.db2.gz WDLGOACBEBESKM-LBPRGKRZSA-N 1 0 301.350 1.676 20 5 DDBDRO C[C@H]1COCCN1CC[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254581197 896512711 /nfs/dbraw/zinc/51/27/11/896512711.db2.gz MCPRGADXODRKFU-WFASDCNBSA-N 1 0 305.378 1.372 20 5 DDBDRO O=C(/C=C/[C@@H]1CCC[NH2+]C1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001262007621 899896161 /nfs/dbraw/zinc/89/61/61/899896161.db2.gz MBJMCLWBABGMDT-UXONFWTHSA-N 1 0 301.346 1.993 20 5 DDBDRO CC[N@@H+]1CCN(c2nnc(-c3ccc([N+](=O)[O-])o3)n2C)C[C@H]1C ZINC001262864550 900401659 /nfs/dbraw/zinc/40/16/59/900401659.db2.gz JVURDXUIZSQWNV-SNVBAGLBSA-N 1 0 320.353 1.514 20 5 DDBDRO CC[N@@H+]1CCN(c2nnc(C[N+](=O)[O-])n2CC(C)C)C[C@@H]1C ZINC001263414580 900604737 /nfs/dbraw/zinc/60/47/37/900604737.db2.gz FKEBXLRZUIAVFS-LBPRGKRZSA-N 1 0 310.402 1.241 20 5 DDBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3C[C@H](O)[C@@H](O)C3)o2)cc1 ZINC000278454280 214164271 /nfs/dbraw/zinc/16/42/71/214164271.db2.gz YNKBKAXCFLQEOA-KBPBESRZSA-N 1 0 304.302 1.392 20 5 DDBDRO O=C1NCCN1CC[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451550133 231123199 /nfs/dbraw/zinc/12/31/99/231123199.db2.gz REZBRCHPDDQYSC-CQSZACIVSA-N 1 0 318.377 1.799 20 5 DDBDRO O=[N+]([O-])c1ccc(CN2CC[NH+](C[C@H]3CCOC3)CC2)cc1F ZINC000278761174 214383352 /nfs/dbraw/zinc/38/33/52/214383352.db2.gz XUWQBCJHRRZBOB-CQSZACIVSA-N 1 0 323.368 1.888 20 5 DDBDRO CC[C@@H](CNS(C)(=O)=O)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000294974054 529493784 /nfs/dbraw/zinc/49/37/84/529493784.db2.gz GCOPUQYRBWTWSL-NSHDSACASA-N 1 0 301.368 1.012 20 5 DDBDRO Cc1ccc(S(=O)(=O)N2CC[NH2+]CC2(C)C)cc1[N+](=O)[O-] ZINC000088139348 185240617 /nfs/dbraw/zinc/24/06/17/185240617.db2.gz CFYUXSTYEGTXTA-UHFFFAOYSA-N 1 0 313.379 1.276 20 5 DDBDRO CC[C@@]1(O)CC[N@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000495218716 529573461 /nfs/dbraw/zinc/57/34/61/529573461.db2.gz GHSJYZBGIVUXMP-OAHLLOKOSA-N 1 0 310.350 1.829 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1O ZINC000286645614 219101292 /nfs/dbraw/zinc/10/12/92/219101292.db2.gz UALZPJGHNAVZEL-ZIAGYGMSSA-N 1 0 307.350 1.687 20 5 DDBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccn(C)n1 ZINC000358243969 299106046 /nfs/dbraw/zinc/10/60/46/299106046.db2.gz YCBJWVALUDDBMR-NSHDSACASA-N 1 0 317.349 1.835 20 5 DDBDRO C[N@@H+]1CCC[C@H](CCNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C1 ZINC000412411335 530060960 /nfs/dbraw/zinc/06/09/60/530060960.db2.gz AVJCAKDQBNOHEC-SNVBAGLBSA-N 1 0 308.338 1.157 20 5 DDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C[C@H]2CCCO2)cc1 ZINC000564118686 303988032 /nfs/dbraw/zinc/98/80/32/303988032.db2.gz KKZRMVWOESQBSQ-GFCCVEGCSA-N 1 0 314.363 1.137 20 5 DDBDRO C[NH+](C)CCOC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000353799467 290839791 /nfs/dbraw/zinc/83/97/91/290839791.db2.gz DCKTUHSKDLFIHV-UHFFFAOYSA-N 1 0 321.377 1.778 20 5 DDBDRO C[NH+](C)C[C@](C)(O)CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000152669541 186095793 /nfs/dbraw/zinc/09/57/93/186095793.db2.gz JNCJXLRAQXQKAQ-OAHLLOKOSA-N 1 0 320.349 1.119 20 5 DDBDRO C[NH+](C)C[C@@H]1CCN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000181900524 186216669 /nfs/dbraw/zinc/21/66/69/186216669.db2.gz YGTDBWDVUMVPTL-JTQLQIEISA-N 1 0 321.333 1.347 20 5 DDBDRO CCOC(=O)c1cc(C(=O)NC[C@@H](C)[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000025148925 352194619 /nfs/dbraw/zinc/19/46/19/352194619.db2.gz QPEQLIXMBMUQRB-SNVBAGLBSA-N 1 0 323.349 1.451 20 5 DDBDRO C[NH+]1CCC(NC(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000069383716 353159611 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O=C(NCC1CC[NH+](Cc2cccs2)CC1)[C@H]1C[C@H]1[N+](=O)[O-] ZINC000145704781 354157565 /nfs/dbraw/zinc/15/75/65/354157565.db2.gz RAUQUTIQQYZGMZ-UONOGXRCSA-N 1 0 323.418 1.742 20 5 DDBDRO O=C(NCC1CC[NH+](Cc2cccs2)CC1)[C@H]1C[C@@H]1[N+](=O)[O-] ZINC000145704412 354157729 /nfs/dbraw/zinc/15/77/29/354157729.db2.gz RAUQUTIQQYZGMZ-KBPBESRZSA-N 1 0 323.418 1.742 20 5 DDBDRO CO[C@H]1CCN(C(=O)c2cc(C)ccc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000316950476 354507257 /nfs/dbraw/zinc/50/72/57/354507257.db2.gz CLJFZAZDXPWAHO-NEPJUHHUSA-N 1 0 307.350 1.482 20 5 DDBDRO COc1cc(C(=O)N2CCC(CC[NH3+])CC2)ccc1[N+](=O)[O-] ZINC000317876843 354513608 /nfs/dbraw/zinc/51/36/08/354513608.db2.gz SOTLOAVFMKQOFV-UHFFFAOYSA-N 1 0 307.350 1.804 20 5 DDBDRO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc(F)cc1[N+](=O)[O-])C2 ZINC000319343107 354521196 /nfs/dbraw/zinc/52/11/96/354521196.db2.gz RATQLQSFLGIBTG-BONVTDFDSA-N 1 0 307.325 1.935 20 5 DDBDRO COC[C@@H](C)OC[C@H](O)C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000319763477 354523226 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HHLLSGDLZRTROG-JOYOIKCWSA-N 1 0 321.333 1.523 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000591676532 355360109 /nfs/dbraw/zinc/36/01/09/355360109.db2.gz VJIRUBREKGFBGL-MFKMUULPSA-N 1 0 307.350 1.803 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H]([C@H]3CCC[NH2+]3)C2)n1 ZINC000591893110 355414952 /nfs/dbraw/zinc/41/49/52/355414952.db2.gz SWDNBBAXUYUAPQ-NWDGAFQWSA-N 1 0 321.381 1.415 20 5 DDBDRO CC[C@H]1CN(C(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000592331879 355560944 /nfs/dbraw/zinc/56/09/44/355560944.db2.gz BHRRRGRLYRFQTM-QWHCGFSZSA-N 1 0 321.377 1.732 20 5 DDBDRO CNc1ccc(C(=O)N2C[C@@H](F)C[C@H]2C[NH2+]C)cc1[N+](=O)[O-] ZINC000592334641 355561908 /nfs/dbraw/zinc/56/19/08/355561908.db2.gz CUYTYTAIZJIOEQ-QWRGUYRKSA-N 1 0 310.329 1.409 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@H]1CC[C@@H](O)C1 ZINC000592431400 355581647 /nfs/dbraw/zinc/58/16/47/355581647.db2.gz LRDICTDUITYCHP-YNEHKIRRSA-N 1 0 310.350 1.085 20 5 DDBDRO 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ZINC000595066586 356378196 /nfs/dbraw/zinc/37/81/96/356378196.db2.gz AYGIISWFURAKIJ-OLZOCXBDSA-N 1 0 319.369 1.676 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@]1(OCCO)CCOC1 ZINC000595077303 356378907 /nfs/dbraw/zinc/37/89/07/356378907.db2.gz FZXFUDGZLLGZDE-XJKSGUPXSA-N 1 0 324.377 1.722 20 5 DDBDRO CN(CC(C)(C)[NH3+])S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000595116367 356384659 /nfs/dbraw/zinc/38/46/59/356384659.db2.gz QYMQVPPTAXUXDD-UHFFFAOYSA-N 1 0 315.395 1.136 20 5 DDBDRO [NH3+]C1(CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)CCCC1 ZINC000595119556 356386022 /nfs/dbraw/zinc/38/60/22/356386022.db2.gz GNEUMBAAKBHBGH-UHFFFAOYSA-N 1 0 305.381 1.206 20 5 DDBDRO C[C@@H]1CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C[C@@H]1[NH3+] ZINC000595228612 356412299 /nfs/dbraw/zinc/41/22/99/356412299.db2.gz DRZXDTUNLAMJCS-DOMZBBRYSA-N 1 0 320.393 1.983 20 5 DDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])NCC12CC(C1)C[NH2+]2 ZINC000595263302 356425304 /nfs/dbraw/zinc/42/53/04/356425304.db2.gz SZNFACXOIFXDCT-UHFFFAOYSA-N 1 0 304.350 1.189 20 5 DDBDRO Cc1noc(CN2C[C@H](C)O[C@@]3(CCO[C@H]3C)C2)c1[N+](=O)[O-] ZINC000595469719 356505524 /nfs/dbraw/zinc/50/55/24/356505524.db2.gz XENPONFZGWMPRY-CHIMOYNISA-N 1 0 311.338 1.660 20 5 DDBDRO CC[N@@H+]1CCCN(CC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000595536004 356537554 /nfs/dbraw/zinc/53/75/54/356537554.db2.gz LTFACGYHCDUPFL-ZDUSSCGKSA-N 1 0 320.393 1.949 20 5 DDBDRO CCCc1n[nH]c(C(=O)N2CCC(C[NH2+]C)CC2)c1[N+](=O)[O-] ZINC000236883784 202052145 /nfs/dbraw/zinc/05/21/45/202052145.db2.gz DIDWXNVYFJVJIW-UHFFFAOYSA-N 1 0 309.370 1.342 20 5 DDBDRO C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)C[C@@H]1COCCO1 ZINC000595738481 356629364 /nfs/dbraw/zinc/62/93/64/356629364.db2.gz JDHDEEUXBNLMOU-OAHLLOKOSA-N 1 0 310.350 1.711 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H]1C[C@@H](O)C12CCC2 ZINC000595785091 356651199 /nfs/dbraw/zinc/65/11/99/356651199.db2.gz XABUPIMNPGTMLF-BYCMXARLSA-N 1 0 322.361 1.228 20 5 DDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@H]2COC[C@]2(C)C1 ZINC000595755406 356637486 /nfs/dbraw/zinc/63/74/86/356637486.db2.gz ADXYPANMRDXJOW-WQGACYEGSA-N 1 0 319.361 1.890 20 5 DDBDRO COc1ccc(OCC[N@@H+]2C[C@@H]3COC[C@@]3(C)C2)c([N+](=O)[O-])c1 ZINC000595762097 356641903 /nfs/dbraw/zinc/64/19/03/356641903.db2.gz ZXPOWZPUZRFGGD-MLGOLLRUSA-N 1 0 322.361 1.951 20 5 DDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000595836635 356672510 /nfs/dbraw/zinc/67/25/10/356672510.db2.gz XOVZGFKYJLBIMI-UPJWGTAASA-N 1 0 319.361 1.890 20 5 DDBDRO C[N@@H+]1C[C@@H]2CCCN(c3ccc4ncc([N+](=O)[O-])n4n3)[C@@H]2C1 ZINC000425283742 283206037 /nfs/dbraw/zinc/20/60/37/283206037.db2.gz MQHRCLKVLHUMIK-WDEREUQCSA-N 1 0 302.338 1.168 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000595905342 356700162 /nfs/dbraw/zinc/70/01/62/356700162.db2.gz BZNUDGZCTCOGPS-VXGBXAGGSA-N 1 0 310.329 1.213 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NCC12CC(C1)C[NH2+]2 ZINC000595989297 356737404 /nfs/dbraw/zinc/73/74/04/356737404.db2.gz RTBZBESCXAAKNX-UHFFFAOYSA-N 1 0 305.334 1.475 20 5 DDBDRO CC1(C)[C@@H](C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1(F)F ZINC000596066035 356759372 /nfs/dbraw/zinc/75/93/72/356759372.db2.gz NWFJRFXQFZIAPL-VHSXEESVSA-N 1 0 304.297 1.033 20 5 DDBDRO COCC[N@@H+]1CCC[C@H]1CNc1c(Cl)cncc1[N+](=O)[O-] ZINC000596110548 356775185 /nfs/dbraw/zinc/77/51/85/356775185.db2.gz OXHSCCJOCOIMOL-JTQLQIEISA-N 1 0 314.773 1.588 20 5 DDBDRO C[NH+](C)[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000596209069 356814984 /nfs/dbraw/zinc/81/49/84/356814984.db2.gz PCHAEMFJZSCDCQ-LLVKDONJSA-N 1 0 306.366 1.614 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000596128705 356784259 /nfs/dbraw/zinc/78/42/59/356784259.db2.gz KCIZPILMXOFTSA-HNNXBMFYSA-N 1 0 320.349 1.018 20 5 DDBDRO CC[C@H](C[NH+]1CCCC1)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596133148 356785443 /nfs/dbraw/zinc/78/54/43/356785443.db2.gz VBKCJSOFQAUEJS-LLVKDONJSA-N 1 0 306.366 1.980 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(NC[C@H](C(C)C)[NH+]2CCN(C)CC2)n1 ZINC000177999722 198802110 /nfs/dbraw/zinc/80/21/10/198802110.db2.gz RDIUNDSWDTWQKS-OAHLLOKOSA-N 1 0 321.425 1.982 20 5 DDBDRO COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000597118564 357065716 /nfs/dbraw/zinc/06/57/16/357065716.db2.gz YHIQTWKPHPWEAC-FBIMIBRVSA-N 1 0 318.333 1.758 20 5 DDBDRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000597925758 357384439 /nfs/dbraw/zinc/38/44/39/357384439.db2.gz QYUIJRXBWYBCQS-GFCCVEGCSA-N 1 0 320.393 1.996 20 5 DDBDRO CCN(C(=O)Cc1ccc(F)cc1[N+](=O)[O-])[C@@H]1CC[N@H+](C)C1 ZINC000597944664 357393939 /nfs/dbraw/zinc/39/39/39/357393939.db2.gz DNJNTWHSVJCOPE-CYBMUJFWSA-N 1 0 309.341 1.829 20 5 DDBDRO Cn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)n1 ZINC000598218892 357497162 /nfs/dbraw/zinc/49/71/62/357497162.db2.gz IYJBJOXCZKLKIS-LLVKDONJSA-N 1 0 321.381 1.465 20 5 DDBDRO CC[C@@H]1CN(C(=O)CCn2nc(C)c([N+](=O)[O-])c2C)C[C@H](C)[NH2+]1 ZINC000598531860 357622559 /nfs/dbraw/zinc/62/25/59/357622559.db2.gz RKIAJVNPJVYQBQ-GXFFZTMASA-N 1 0 323.397 1.397 20 5 DDBDRO O=C(NCC1CC[NH+](CC2CC2)CC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000598537242 357625304 /nfs/dbraw/zinc/62/53/04/357625304.db2.gz CUJRHJRLECQYEQ-UHFFFAOYSA-N 1 0 306.366 1.775 20 5 DDBDRO [NH3+][C@@]12CCC[C@@H]1CN(C(=O)CCOc1ccccc1[N+](=O)[O-])C2 ZINC000598669365 357678132 /nfs/dbraw/zinc/67/81/32/357678132.db2.gz IMOSMSFYSUGIOJ-MLGOLLRUSA-N 1 0 319.361 1.704 20 5 DDBDRO C[C@@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1CO ZINC000598648862 357670499 /nfs/dbraw/zinc/67/04/99/357670499.db2.gz IAHAZUMIZJXQCD-CHWSQXEVSA-N 1 0 321.377 1.874 20 5 DDBDRO Cc1nn(CCC(=O)N2CC[NH2+][C@H](C(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000598576687 357638988 /nfs/dbraw/zinc/63/89/88/357638988.db2.gz YVGNIIFBCGMRAQ-ZDUSSCGKSA-N 1 0 323.397 1.255 20 5 DDBDRO Cc1ccc(S(=O)(=O)NC(C)(C)CC[NH3+])c(C)c1[N+](=O)[O-] ZINC000598713331 357701014 /nfs/dbraw/zinc/70/10/14/357701014.db2.gz AYKABNKUDJBDDK-UHFFFAOYSA-N 1 0 315.395 1.617 20 5 DDBDRO C[NH+](C)C1CC(NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000598716887 357702180 /nfs/dbraw/zinc/70/21/80/357702180.db2.gz URIVULKCHVNQDZ-UHFFFAOYSA-N 1 0 316.361 1.758 20 5 DDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CCc2[nH+]ccc(N)c2C1 ZINC000598942246 357767386 /nfs/dbraw/zinc/76/73/86/357767386.db2.gz JRLCXMZPFUGBQX-UHFFFAOYSA-N 1 0 302.338 1.660 20 5 DDBDRO CNC(=O)[C@H]1CN(c2ccc3cnccc3c2[N+](=O)[O-])CCO1 ZINC000599064495 357805760 /nfs/dbraw/zinc/80/57/60/357805760.db2.gz BPLNXKMQFGBBSM-CYBMUJFWSA-N 1 0 316.317 1.094 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000599105669 357816972 /nfs/dbraw/zinc/81/69/72/357816972.db2.gz PNMYRBOILOOHHG-GHMZBOCLSA-N 1 0 313.379 1.322 20 5 DDBDRO CCC1([NH+]2CCOCC2)CCN(c2c([N+](=O)[O-])ncn2C)CC1 ZINC000599186993 357843386 /nfs/dbraw/zinc/84/33/86/357843386.db2.gz NCIBTZHKSZWZBC-UHFFFAOYSA-N 1 0 323.397 1.410 20 5 DDBDRO CCO[C@H](C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C1CC1 ZINC000599258057 357864742 /nfs/dbraw/zinc/86/47/42/357864742.db2.gz FDWCWROZZCXCSI-OAHLLOKOSA-N 1 0 320.393 1.927 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CCN1Cc2ccc(O)cc2C1 ZINC000599536844 357965616 /nfs/dbraw/zinc/96/56/16/357965616.db2.gz UPFJWIKXUPEAJI-UHFFFAOYSA-N 1 0 301.302 1.478 20 5 DDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC1(C[NH3+])CCOCC1 ZINC000599604563 357989754 /nfs/dbraw/zinc/98/97/54/357989754.db2.gz COMBMQFZZPPYGR-UHFFFAOYSA-N 1 0 322.365 1.787 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NCCOCCC[NH3+] ZINC000599605102 357990853 /nfs/dbraw/zinc/99/08/53/357990853.db2.gz SBGLTOMLFUOFNI-UHFFFAOYSA-N 1 0 312.326 1.090 20 5 DDBDRO C/C=C\C[C@@H]1CCC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000599689900 358026729 /nfs/dbraw/zinc/02/67/29/358026729.db2.gz LLRZMWMUWOUTCZ-CLGDDFHISA-N 1 0 308.382 1.830 20 5 DDBDRO C/C=C\C[C@@H]1CCC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000599689903 358026920 /nfs/dbraw/zinc/02/69/20/358026920.db2.gz LLRZMWMUWOUTCZ-KXAWDHGWSA-N 1 0 308.382 1.830 20 5 DDBDRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000599895918 358077010 /nfs/dbraw/zinc/07/70/10/358077010.db2.gz HEOFCPWEQNQBLY-NWDGAFQWSA-N 1 0 320.349 1.098 20 5 DDBDRO C[NH2+]CCOCCNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000599907422 358078640 /nfs/dbraw/zinc/07/86/40/358078640.db2.gz NZSZCVYQJZKMPQ-NSHDSACASA-N 1 0 310.354 1.191 20 5 DDBDRO C[NH2+]CCOCCN(C)C(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000599918443 358080228 /nfs/dbraw/zinc/08/02/28/358080228.db2.gz PVRVGJQHPSZCPV-GFCCVEGCSA-N 1 0 324.381 1.533 20 5 DDBDRO COc1cc(CN[C@@H]2CC[NH2+]C23CCC3)c([N+](=O)[O-])cc1OC ZINC000600677882 358280313 /nfs/dbraw/zinc/28/03/13/358280313.db2.gz CIFQVXBRZYNXAP-OAHLLOKOSA-N 1 0 321.377 1.986 20 5 DDBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@H]2COCCN2)o1 ZINC000600677938 358280465 /nfs/dbraw/zinc/28/04/65/358280465.db2.gz LQOPDIGPWLDLKA-LBPRGKRZSA-N 1 0 317.345 1.933 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1CNCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000600776744 358312981 /nfs/dbraw/zinc/31/29/81/358312981.db2.gz RMZHWFOEHNGCBC-UHFFFAOYSA-N 1 0 303.322 1.147 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000600966894 358361158 /nfs/dbraw/zinc/36/11/58/358361158.db2.gz VLECFTSXOGVUNE-UHFFFAOYSA-N 1 0 314.345 1.509 20 5 DDBDRO C[N@@H+]1CCC[C@@H](N2CCN(c3ncc(F)cc3[N+](=O)[O-])CC2)C1 ZINC000601115798 358408727 /nfs/dbraw/zinc/40/87/27/358408727.db2.gz CGYCLGUSIHKEKC-CYBMUJFWSA-N 1 0 323.372 1.345 20 5 DDBDRO C[NH+](C)C[C@@]1(O)CCCN(c2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000601188204 358439414 /nfs/dbraw/zinc/43/94/14/358439414.db2.gz DHSOANJTELOWBC-ZDUSSCGKSA-N 1 0 314.773 1.536 20 5 DDBDRO O=[N+]([O-])c1cc(F)cnc1N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000601190330 358440166 /nfs/dbraw/zinc/44/01/66/358440166.db2.gz VXTXFDSAVABIPT-ZDUSSCGKSA-N 1 0 324.356 1.820 20 5 DDBDRO Cc1sc(S(=O)(=O)N2CC(C[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000601423910 358546762 /nfs/dbraw/zinc/54/67/62/358546762.db2.gz QUGNRSBZNISLIS-UHFFFAOYSA-N 1 0 319.408 1.147 20 5 DDBDRO C[C@@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCOC1 ZINC000348140565 283387400 /nfs/dbraw/zinc/38/74/00/283387400.db2.gz KWPXWTGAVQMREL-OLZOCXBDSA-N 1 0 321.377 1.962 20 5 DDBDRO C[C@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCOC1 ZINC000348140571 283387452 /nfs/dbraw/zinc/38/74/52/283387452.db2.gz KWPXWTGAVQMREL-STQMWFEESA-N 1 0 321.377 1.962 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H]1CCC[C@H]1CCO ZINC000348148542 283390988 /nfs/dbraw/zinc/39/09/88/283390988.db2.gz IRLIDDZPLAYBJJ-STQMWFEESA-N 1 0 321.377 1.982 20 5 DDBDRO C[C@@](O)(C[C@@H](O)C[NH2+]CCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000601957260 358752834 /nfs/dbraw/zinc/75/28/34/358752834.db2.gz UXXCMWSILUOECM-HZPDHXFCSA-N 1 0 308.378 1.639 20 5 DDBDRO Cc1nn(C)c(C(=O)N[C@@H]2C[C@H]([NH+](C)C)C2(C)C)c1[N+](=O)[O-] ZINC000602170337 358861585 /nfs/dbraw/zinc/86/15/85/358861585.db2.gz JDRSKEQVYXDSAM-ZJUUUORDSA-N 1 0 309.370 1.095 20 5 DDBDRO C[NH+](C)[C@H]1C[C@H](NC(=O)Cc2ccccc2[N+](=O)[O-])C1(C)C ZINC000602175434 358865388 /nfs/dbraw/zinc/86/53/88/358865388.db2.gz XVRLUYIJBBHWTL-KBPBESRZSA-N 1 0 305.378 1.982 20 5 DDBDRO C[N@@H+]1CCCC[C@H]1C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000602141055 358840995 /nfs/dbraw/zinc/84/09/95/358840995.db2.gz KPWCOCQJMMVFRT-ZDUSSCGKSA-N 1 0 321.381 1.439 20 5 DDBDRO CO[C@@]1(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)CCOC1 ZINC000602432188 358972915 /nfs/dbraw/zinc/97/29/15/358972915.db2.gz DZEUCSPTCLERGP-MRXNPFEDSA-N 1 0 321.377 1.522 20 5 DDBDRO CC(C)c1ccc(C(=O)NC[C@@H]2COCC[NH2+]2)cc1[N+](=O)[O-] ZINC000602549964 359040354 /nfs/dbraw/zinc/04/03/54/359040354.db2.gz GMKWNTVYTDIFGR-GFCCVEGCSA-N 1 0 307.350 1.436 20 5 DDBDRO CC[C@@H](CCO)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602553848 359042613 /nfs/dbraw/zinc/04/26/13/359042613.db2.gz WFGOASIFXYGXCI-LBPRGKRZSA-N 1 0 308.382 1.709 20 5 DDBDRO CO[C@H]1C[NH2+][C@](C)(C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000602446117 358981453 /nfs/dbraw/zinc/98/14/53/358981453.db2.gz UTBTUGBMMOZEPQ-HIFRSBDPSA-N 1 0 307.350 1.021 20 5 DDBDRO COC(=O)[C@H]1CC12CC[NH+](Cc1cn(C)nc1[N+](=O)[O-])CC2 ZINC000602473623 359001634 /nfs/dbraw/zinc/00/16/34/359001634.db2.gz VLKOOICIUUNJRA-LLVKDONJSA-N 1 0 308.338 1.103 20 5 DDBDRO [NH3+]CC[C@H](NC(=O)c1c(F)cccc1[N+](=O)[O-])C(F)(F)F ZINC000602497319 359015759 /nfs/dbraw/zinc/01/57/59/359015759.db2.gz SXKFXCINYTUWSB-QMMMGPOBSA-N 1 0 309.219 1.743 20 5 DDBDRO C[C@@H]1COCC[C@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602635493 359089177 /nfs/dbraw/zinc/08/91/77/359089177.db2.gz ZCRQKNPELFSXKS-IUODEOHRSA-N 1 0 320.393 1.973 20 5 DDBDRO COc1ccc(C(=O)N2CCCCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000602576483 359052420 /nfs/dbraw/zinc/05/24/20/359052420.db2.gz CLMROYYQDQCAQG-LBPRGKRZSA-N 1 0 307.350 1.947 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000602784995 359190800 /nfs/dbraw/zinc/19/08/00/359190800.db2.gz QVMXZSIOTLZBTR-VXGBXAGGSA-N 1 0 312.395 1.306 20 5 DDBDRO C[C@@H]1CN(CCO)CCN1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602687450 359125803 /nfs/dbraw/zinc/12/58/03/359125803.db2.gz WMROOACAHWDTER-LLVKDONJSA-N 1 0 320.349 1.234 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@H]3C[C@@H](O)C3)CC2)cn1 ZINC000602723869 359150770 /nfs/dbraw/zinc/15/07/70/359150770.db2.gz JSQHLVFHAQLGNA-VDISTLRHSA-N 1 0 306.366 1.319 20 5 DDBDRO C[C@H]1CN(Cc2cn(C)nc2[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000602843064 359231413 /nfs/dbraw/zinc/23/14/13/359231413.db2.gz YRDOOUHBFMXWQU-LBPRGKRZSA-N 1 0 307.398 1.635 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H]1C1CCOCC1 ZINC000602803121 359202749 /nfs/dbraw/zinc/20/27/49/359202749.db2.gz WKJOXMNGENVLCC-CQSZACIVSA-N 1 0 308.382 1.991 20 5 DDBDRO C[C@H](c1ccccc1)[C@@H](CO)[NH2+]Cc1cn(C)nc1[N+](=O)[O-] ZINC000602810852 359206834 /nfs/dbraw/zinc/20/68/34/359206834.db2.gz OVRBKUGNTSWFCR-BXUZGUMPSA-N 1 0 304.350 1.583 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CCN1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000602830514 359222019 /nfs/dbraw/zinc/22/20/19/359222019.db2.gz LXPKMLKGWOINCS-JSGCOSHPSA-N 1 0 307.398 1.658 20 5 DDBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCO[C@@H](Cn2ccnn2)C1 ZINC000602903567 359284309 /nfs/dbraw/zinc/28/43/09/359284309.db2.gz RFJYVRZZAWRKEY-SWLSCSKDSA-N 1 0 317.349 1.648 20 5 DDBDRO C[C@@]1(CO)C[C@H](O)C[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000602899325 359281114 /nfs/dbraw/zinc/28/11/14/359281114.db2.gz PNCNHHNHGNOMIP-ZFWWWQNUSA-N 1 0 310.350 1.181 20 5 DDBDRO C[C@@H](c1ccccc1[N+](=O)[O-])n1cc(C[C@H]2CC[NH2+]C2)nn1 ZINC000603218308 359489872 /nfs/dbraw/zinc/48/98/72/359489872.db2.gz KZAYDZXDAVMQGN-NWDGAFQWSA-N 1 0 301.350 1.948 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2C[C@@H]([NH+](C)C)C2(C)C)n1 ZINC000603405040 359620473 /nfs/dbraw/zinc/62/04/73/359620473.db2.gz GGNPWHILHRZWIJ-NWDGAFQWSA-N 1 0 322.365 1.917 20 5 DDBDRO O=[N+]([O-])c1ccc(-c2nnc(CN3C[C@@H]4C[NH2+]C[C@H]4C3)o2)cc1 ZINC000603833327 359684778 /nfs/dbraw/zinc/68/47/78/359684778.db2.gz GNOGOPXUCAZKRS-RYUDHWBXSA-N 1 0 315.333 1.296 20 5 DDBDRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000237915794 283465918 /nfs/dbraw/zinc/46/59/18/283465918.db2.gz VJPULZMUMWDYHV-SMDDNHRTSA-N 1 0 307.350 1.607 20 5 DDBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000188324999 200228322 /nfs/dbraw/zinc/22/83/22/200228322.db2.gz CJZIBOSUASZQNZ-LBPRGKRZSA-N 1 0 320.393 1.885 20 5 DDBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]C[C@@H](O)C(F)(F)F)n1 ZINC000618577868 363680452 /nfs/dbraw/zinc/68/04/52/363680452.db2.gz MDGYKSZSNPVGNU-LPEHRKFASA-N 1 0 322.287 1.788 20 5 DDBDRO Cn1cc(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)nn1 ZINC000618575437 363678920 /nfs/dbraw/zinc/67/89/20/363678920.db2.gz GTNCIULVLGWXRA-NWDGAFQWSA-N 1 0 305.342 1.193 20 5 DDBDRO CC[N@H+](C)C[C@H]1CCN(c2ncc(C(=O)OC)cc2[N+](=O)[O-])C1 ZINC000189329925 200383062 /nfs/dbraw/zinc/38/30/62/200383062.db2.gz BIDIYOISNYOWCL-LLVKDONJSA-N 1 0 322.365 1.554 20 5 DDBDRO CC(C)[NH2+][C@@H]1CCCN(C(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000609135857 360263880 /nfs/dbraw/zinc/26/38/80/360263880.db2.gz YEWDGUBNGDNPMA-GFCCVEGCSA-N 1 0 309.370 1.170 20 5 DDBDRO COCC[N@@H+]1CCC[C@@H](NC(=O)c2cc(C)cc([N+](=O)[O-])c2)C1 ZINC000609269116 360285267 /nfs/dbraw/zinc/28/52/67/360285267.db2.gz LFKIQEROWAIKGK-CQSZACIVSA-N 1 0 321.377 1.744 20 5 DDBDRO CNc1ccc(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000609413056 360305517 /nfs/dbraw/zinc/30/55/17/360305517.db2.gz ZNHRUGUACHGFFR-NSHDSACASA-N 1 0 318.377 1.851 20 5 DDBDRO COCC[N@@H+]1CCC[C@@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000609279556 360287447 /nfs/dbraw/zinc/28/74/47/360287447.db2.gz JRIQMJQZOOLONE-CYBMUJFWSA-N 1 0 322.365 1.827 20 5 DDBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000609833302 360353668 /nfs/dbraw/zinc/35/36/68/360353668.db2.gz GMEIWUODKWVGIA-GFCCVEGCSA-N 1 0 309.370 1.090 20 5 DDBDRO CC(C)(CO)[NH+]1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000610481169 360446593 /nfs/dbraw/zinc/44/65/93/360446593.db2.gz MIJZQZZVPHNDDP-UHFFFAOYSA-N 1 0 323.393 1.362 20 5 DDBDRO C[NH+](C)Cc1ccnc(NC(=O)c2ccc([N+](=O)[O-])cn2)c1 ZINC000610773974 360533771 /nfs/dbraw/zinc/53/37/71/360533771.db2.gz LWKOMNFYOOXRRL-UHFFFAOYSA-N 1 0 301.306 1.699 20 5 DDBDRO C[C@@H]1COCCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000610990903 360591741 /nfs/dbraw/zinc/59/17/41/360591741.db2.gz UFQGIZKERFOUGH-OCCSQVGLSA-N 1 0 310.350 1.445 20 5 DDBDRO COCC(=O)NC1CC[NH+](Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000611261281 360682994 /nfs/dbraw/zinc/68/29/94/360682994.db2.gz HWRCJYWGZHZEOW-UHFFFAOYSA-N 1 0 321.377 1.630 20 5 DDBDRO CC1(C)CN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC[NH2+]1 ZINC000611266591 360683853 /nfs/dbraw/zinc/68/38/53/360683853.db2.gz JWVWBFBAJKLWQA-UHFFFAOYSA-N 1 0 307.350 1.550 20 5 DDBDRO CC[N@@H+]1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000612030670 360895299 /nfs/dbraw/zinc/89/52/99/360895299.db2.gz WIWJMUGNOLWRJS-ZIAGYGMSSA-N 1 0 323.393 1.361 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@@]2(CO)CCOc3ccccc32)n1 ZINC000281449396 216306544 /nfs/dbraw/zinc/30/65/44/216306544.db2.gz AFIRXFVGHYYBLP-OAHLLOKOSA-N 1 0 318.333 1.051 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N(C)[C@@H](C)C[NH3+])c1 ZINC000193281779 201018956 /nfs/dbraw/zinc/01/89/56/201018956.db2.gz QKWHGSSFPBEDQX-QMMMGPOBSA-N 1 0 321.786 1.524 20 5 DDBDRO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000193558628 201074596 /nfs/dbraw/zinc/07/45/96/201074596.db2.gz WKGPLULPBKGMAC-KCJUWKMLSA-N 1 0 303.322 1.341 20 5 DDBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000193574230 201078618 /nfs/dbraw/zinc/07/86/18/201078618.db2.gz QMGNXXBZDBUEON-NSHDSACASA-N 1 0 308.338 1.300 20 5 DDBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H](O)C1CC1 ZINC000349015556 283806117 /nfs/dbraw/zinc/80/61/17/283806117.db2.gz YKWOZZRBLYWQRN-HZMBPMFUSA-N 1 0 307.350 1.672 20 5 DDBDRO COc1ccc(NC(=O)CCN(C)[C@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000566244639 304132767 /nfs/dbraw/zinc/13/27/67/304132767.db2.gz ITNMWFNOMBUHBK-NSHDSACASA-N 1 0 322.365 1.226 20 5 DDBDRO COc1cc(OCC(=O)N[C@@H](C)C[C@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000566258683 304134654 /nfs/dbraw/zinc/13/46/54/304134654.db2.gz ZXRCHWNXFXFJFS-UWVGGRQHSA-N 1 0 311.338 1.224 20 5 DDBDRO COc1cc(C(=O)N2CC[C@H]([NH3+])[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000261627481 203082866 /nfs/dbraw/zinc/08/28/66/203082866.db2.gz BQYNADKYPOQTPC-KOLCDFICSA-N 1 0 323.349 1.421 20 5 DDBDRO C[C@@H]1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)[C@H](C[NH3+])C1 ZINC000261729547 203102793 /nfs/dbraw/zinc/10/27/93/203102793.db2.gz HOENHBNUUQHUBQ-KOLCDFICSA-N 1 0 317.349 1.671 20 5 DDBDRO COCC1(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000261880907 203141866 /nfs/dbraw/zinc/14/18/66/203141866.db2.gz MKWQENDWLZTISQ-GFCCVEGCSA-N 1 0 321.377 1.788 20 5 DDBDRO COc1cc(C(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000262351715 203271334 /nfs/dbraw/zinc/27/13/34/203271334.db2.gz VGGVBJGMGLGCAT-JQWIXIFHSA-N 1 0 307.350 1.721 20 5 DDBDRO CC[NH2+][C@@H](C)CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000359298780 299402200 /nfs/dbraw/zinc/40/22/00/299402200.db2.gz GCMIVFFLUHOZHI-JTQLQIEISA-N 1 0 301.368 1.012 20 5 DDBDRO O=C(/C=C/c1ccccc1[N+](=O)[O-])NCC[NH+]1CCSCC1 ZINC000264783580 204152710 /nfs/dbraw/zinc/15/27/10/204152710.db2.gz JCCHESNATBTJDN-AATRIKPKSA-N 1 0 321.402 1.773 20 5 DDBDRO Cn1ccc(CC[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])n1 ZINC000566556020 304168352 /nfs/dbraw/zinc/16/83/52/304168352.db2.gz BINUEWJDYRLOON-UHFFFAOYSA-N 1 0 317.349 1.489 20 5 DDBDRO C[C@]1(CO)CCC[C@H]1[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000351496143 284344646 /nfs/dbraw/zinc/34/46/46/284344646.db2.gz SFQNDULBYGUKCK-FVQBIDKESA-N 1 0 324.377 1.475 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CSc1nc(N)cc(N)[nH+]1 ZINC000018541046 182101906 /nfs/dbraw/zinc/10/19/06/182101906.db2.gz YOBYRQYLLOQYKM-UHFFFAOYSA-N 1 0 307.335 1.850 20 5 DDBDRO CCc1n[nH]c(C(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000288490011 220175565 /nfs/dbraw/zinc/17/55/65/220175565.db2.gz ROIRPQDEJWBKOD-WDEREUQCSA-N 1 0 321.381 1.579 20 5 DDBDRO C[C@@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1cnccn1 ZINC001120469437 781965287 /nfs/dbraw/zinc/96/52/87/781965287.db2.gz XKMUXUUPVUCYFD-NEPJUHHUSA-N 1 0 318.333 1.475 20 5 DDBDRO CCCc1[nH]nc(C(=O)Nc2ccc(C[NH3+])cc2)c1[N+](=O)[O-] ZINC000131382136 248285002 /nfs/dbraw/zinc/28/50/02/248285002.db2.gz QCYBANYGEQIBOY-UHFFFAOYSA-N 1 0 303.322 1.981 20 5 DDBDRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)CCc3cccc([N+](=O)[O-])c3)C[C@H]12 ZINC000248703081 248575569 /nfs/dbraw/zinc/57/55/69/248575569.db2.gz ZZHCKZGKVHNMDS-AEGPPILISA-N 1 0 303.362 1.723 20 5 DDBDRO COCC[N@H+](C)CCNc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000336858843 249266945 /nfs/dbraw/zinc/26/69/45/249266945.db2.gz BYZKNEQODDQETJ-UHFFFAOYSA-N 1 0 311.338 1.372 20 5 DDBDRO CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000041604096 183209455 /nfs/dbraw/zinc/20/94/55/183209455.db2.gz RDDLSTQBVWSHTQ-NSHDSACASA-N 1 0 322.365 1.380 20 5 DDBDRO O=[N+]([O-])c1cnccc1NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000337145334 249364273 /nfs/dbraw/zinc/36/42/73/249364273.db2.gz PGGWYVGPGQRTGT-GOEBONIOSA-N 1 0 320.393 1.592 20 5 DDBDRO Cc1ccc(CN2CC[N@@H+](C[C@H](C)O)C[C@H]2C)cc1[N+](=O)[O-] ZINC000284432071 218024558 /nfs/dbraw/zinc/02/45/58/218024558.db2.gz SBADETLVKFJRMB-KGLIPLIRSA-N 1 0 307.394 1.790 20 5 DDBDRO C[C@@H]([NH2+][C@@H](C)c1cn[nH]c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000273922553 211177756 /nfs/dbraw/zinc/17/77/56/211177756.db2.gz BOJJHKNYHUGBCP-VHSXEESVSA-N 1 0 303.322 1.996 20 5 DDBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000288594429 220271986 /nfs/dbraw/zinc/27/19/86/220271986.db2.gz YEZCUAIJQYNCKY-CMPLNLGQSA-N 1 0 320.349 1.394 20 5 DDBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC[C@H]([NH+](C)C)C1 ZINC000109806032 194287685 /nfs/dbraw/zinc/28/76/85/194287685.db2.gz YYQLHLJZNNUQFA-WFASDCNBSA-N 1 0 320.393 1.948 20 5 DDBDRO C[NH+](C)CCOc1cnccc1CNc1ncccc1[N+](=O)[O-] ZINC000341056835 251359142 /nfs/dbraw/zinc/35/91/42/251359142.db2.gz VTUCTYRBDDKJKW-UHFFFAOYSA-N 1 0 317.349 1.937 20 5 DDBDRO COc1ccc(CC(=O)N[C@@H]2[C@H](C)CC[NH2+][C@H]2C)cc1[N+](=O)[O-] ZINC000567672210 304232604 /nfs/dbraw/zinc/23/26/04/304232604.db2.gz LUGPDVOOQSMHHY-OHUAYANFSA-N 1 0 321.377 1.649 20 5 DDBDRO C[NH2+][C@H]1CCN(C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)C1 ZINC000269147513 207275332 /nfs/dbraw/zinc/27/53/32/207275332.db2.gz ZZKKBIJQXKKIME-JTQLQIEISA-N 1 0 322.321 1.554 20 5 DDBDRO CC(=O)N1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000065209191 184314470 /nfs/dbraw/zinc/31/44/70/184314470.db2.gz DCAUTUUYXIKDQX-UHFFFAOYSA-N 1 0 307.350 1.528 20 5 DDBDRO C[C@H]1CN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC[C@@H]1[NH3+] ZINC000269175284 207295928 /nfs/dbraw/zinc/29/59/28/207295928.db2.gz BMJWXEPDFSPFTO-KWQFWETISA-N 1 0 303.322 1.280 20 5 DDBDRO COc1cc(OCC(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000269195645 207316784 /nfs/dbraw/zinc/31/67/84/207316784.db2.gz ITWVPAPCDDAOOZ-CMPLNLGQSA-N 1 0 323.349 1.178 20 5 DDBDRO C[C@@H]1CN(C(=O)CCOc2ccccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000269221028 207339006 /nfs/dbraw/zinc/33/90/06/207339006.db2.gz RIUOUWJKQWMCCG-VXGBXAGGSA-N 1 0 307.350 1.559 20 5 DDBDRO Cn1nc([N+](=O)[O-])cc1C(=O)Nc1ccc(C[NH+](C)C)cc1F ZINC000412563308 224054550 /nfs/dbraw/zinc/05/45/50/224054550.db2.gz YVKNVTXXHJQXPO-UHFFFAOYSA-N 1 0 321.312 1.781 20 5 DDBDRO C[NH2+][C@@H]1CCN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000430613622 532969653 /nfs/dbraw/zinc/96/96/53/532969653.db2.gz XCJVAXZHQWSCTQ-LLVKDONJSA-N 1 0 320.349 1.187 20 5 DDBDRO C[C@@H]([NH3+])[C@@H](C)NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000449588893 532974632 /nfs/dbraw/zinc/97/46/32/532974632.db2.gz MAWOXYZVGUEUGN-NXEZZACHSA-N 1 0 317.349 1.461 20 5 DDBDRO O=C(COc1cccc([N+](=O)[O-])c1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000158395946 197268207 /nfs/dbraw/zinc/26/82/07/197268207.db2.gz DUEGOSDETNGLTP-HNNXBMFYSA-N 1 0 305.334 1.186 20 5 DDBDRO [NH3+][C@@H]1CCCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000157706850 197208536 /nfs/dbraw/zinc/20/85/36/197208536.db2.gz KLTMOJHKDSIWIW-GFCCVEGCSA-N 1 0 315.333 1.344 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@H](C)[NH2+]C[C@@H]1C ZINC000420410551 533138784 /nfs/dbraw/zinc/13/87/84/533138784.db2.gz XXJSQPGXSWHEOB-QWRGUYRKSA-N 1 0 322.365 1.224 20 5 DDBDRO C[C@@H](NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@H](C)[NH3+] ZINC000417998415 533169409 /nfs/dbraw/zinc/16/94/09/533169409.db2.gz VFFLHGFSCMJPHK-DTWKUNHWSA-N 1 0 314.773 1.826 20 5 DDBDRO CC[N@@H+]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H](C)C1 ZINC000352689903 285230362 /nfs/dbraw/zinc/23/03/62/285230362.db2.gz DKHYIGCHSAULNM-NSHDSACASA-N 1 0 303.366 1.997 20 5 DDBDRO CNC(=O)CCC[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000154980170 197010159 /nfs/dbraw/zinc/01/01/59/197010159.db2.gz IVAFMDQOBUXUAP-UHFFFAOYSA-N 1 0 322.365 1.381 20 5 DDBDRO C[C@@H](NC(=O)N[C@H](CC[NH3+])C(F)F)c1cccc([N+](=O)[O-])c1 ZINC000417144824 533208340 /nfs/dbraw/zinc/20/83/40/533208340.db2.gz WKKMHKACXIPZIJ-LDYMZIIASA-N 1 0 316.308 1.938 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000417185508 533221316 /nfs/dbraw/zinc/22/13/16/533221316.db2.gz SARAKGYTWKEJBZ-GXFFZTMASA-N 1 0 322.365 1.482 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000414656470 533225514 /nfs/dbraw/zinc/22/55/14/533225514.db2.gz MZLSJOCFXAKEGH-NXEZZACHSA-N 1 0 308.338 1.804 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000414649822 533225853 /nfs/dbraw/zinc/22/58/53/533225853.db2.gz CMZZLCVXASDYSP-UWVGGRQHSA-N 1 0 308.338 1.804 20 5 DDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000290201277 221487395 /nfs/dbraw/zinc/48/73/95/221487395.db2.gz RKDFLVMKTGBUMS-NWDGAFQWSA-N 1 0 323.780 1.859 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CO)[C@H]1CCCOC1 ZINC000414554029 224352212 /nfs/dbraw/zinc/35/22/12/224352212.db2.gz LBYXHWJQGFROJC-SNPRPXQTSA-N 1 0 308.378 1.903 20 5 DDBDRO Cc1c(NC(=O)NC[C@H]2C[NH2+]CCCO2)cccc1[N+](=O)[O-] ZINC000414694899 224373821 /nfs/dbraw/zinc/37/38/21/224373821.db2.gz GMBPFAPIUYQUFD-LLVKDONJSA-N 1 0 308.338 1.403 20 5 DDBDRO CC[NH2+]Cc1cccc(NC(=O)Cn2cc([N+](=O)[O-])nc2C)c1 ZINC000123289322 195565524 /nfs/dbraw/zinc/56/55/24/195565524.db2.gz WDZUJBZEMFDOHP-UHFFFAOYSA-N 1 0 317.349 1.848 20 5 DDBDRO COc1ccc(CNC(=O)N2CC[NH2+][C@H](C)C2)cc1[N+](=O)[O-] ZINC000417201594 533601800 /nfs/dbraw/zinc/60/18/00/533601800.db2.gz WRXNWHFTKHQNFG-SNVBAGLBSA-N 1 0 308.338 1.107 20 5 DDBDRO COC(=O)COc1ccc(C[NH2+][C@H]2CC23CC3)cc1[N+](=O)[O-] ZINC000424184231 533558668 /nfs/dbraw/zinc/55/86/68/533558668.db2.gz LSEVPQABSCITBK-ZDUSSCGKSA-N 1 0 306.318 1.789 20 5 DDBDRO COc1ccc(CNC(=O)N[C@H](C)CCC[NH3+])cc1[N+](=O)[O-] ZINC000417181922 533630880 /nfs/dbraw/zinc/63/08/80/533630880.db2.gz IPZCAYGVPAULQM-SNVBAGLBSA-N 1 0 310.354 1.530 20 5 DDBDRO Cc1n[nH]c(C(=O)NC[C@H](c2cccs2)[NH+](C)C)c1[N+](=O)[O-] ZINC000299461914 533667046 /nfs/dbraw/zinc/66/70/46/533667046.db2.gz ZVIGWQNDFHVQEV-SECBINFHSA-N 1 0 323.378 1.721 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CC2CCOCC2)c1 ZINC000568381836 304289401 /nfs/dbraw/zinc/28/94/01/304289401.db2.gz BSKNFDZVXVWJGF-AWEZNQCLSA-N 1 0 310.350 1.351 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]1CC[NH2+][C@H]1C(C)C ZINC000353176485 285573333 /nfs/dbraw/zinc/57/33/33/285573333.db2.gz GUQAROZPTASMSW-ZFWWWQNUSA-N 1 0 321.377 1.854 20 5 DDBDRO COc1cc(C[NH2+]CCOC(F)(F)F)c([N+](=O)[O-])cc1O ZINC000353211032 285599091 /nfs/dbraw/zinc/59/90/91/285599091.db2.gz YNQIULGMAIOXCD-UHFFFAOYSA-N 1 0 310.228 1.935 20 5 DDBDRO Cn1nc([N+](=O)[O-])cc1C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000360417881 299659325 /nfs/dbraw/zinc/65/93/25/299659325.db2.gz VSPXBBRORXUEEA-UHFFFAOYSA-N 1 0 317.349 1.320 20 5 DDBDRO C[C@@H]1CC[NH2+]C[C@H]1NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000193410571 296585075 /nfs/dbraw/zinc/58/50/75/296585075.db2.gz NUQIRBHVJBTTJA-PSASIEDQSA-N 1 0 317.342 1.010 20 5 DDBDRO O=C(N[C@@H]1C[C@@H]1C1CC[NH2+]CC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000361079587 299799024 /nfs/dbraw/zinc/79/90/24/299799024.db2.gz LOFFJKVUGNBMNR-ZIAGYGMSSA-N 1 0 307.325 1.852 20 5 DDBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]C[C@@]2(O)CCOC2)c1 ZINC000179020885 306690194 /nfs/dbraw/zinc/69/01/94/306690194.db2.gz MDYUYJKJSAMLPS-ZDUSSCGKSA-N 1 0 318.276 1.437 20 5 DDBDRO C[C@H](Cc1cccs1)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000071269864 406835845 /nfs/dbraw/zinc/83/58/45/406835845.db2.gz SFROQYDMHXXLSK-ZYHUDNBSSA-N 1 0 310.379 1.435 20 5 DDBDRO C[N@@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000020479092 406887301 /nfs/dbraw/zinc/88/73/01/406887301.db2.gz GOBUGROEFZSCME-UHFFFAOYSA-N 1 0 308.294 1.281 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1CCCC[NH2+]1 ZINC000044492779 407024706 /nfs/dbraw/zinc/02/47/06/407024706.db2.gz VYJZTBOLOUXMMP-LLVKDONJSA-N 1 0 313.379 1.324 20 5 DDBDRO [NH3+]CCCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000037714609 406993365 /nfs/dbraw/zinc/99/33/65/406993365.db2.gz NGMIOQCRACEWGP-UHFFFAOYSA-N 1 0 307.759 1.265 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000086468829 407112283 /nfs/dbraw/zinc/11/22/83/407112283.db2.gz BJUWRIUPGYAILP-MNOVXSKESA-N 1 0 313.379 1.274 20 5 DDBDRO Cc1c(Cl)cc(S(=O)(=O)N[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000052093306 407147694 /nfs/dbraw/zinc/14/76/94/407147694.db2.gz HMUTTZVHVQOHBF-QMMMGPOBSA-N 1 0 319.770 1.197 20 5 DDBDRO COC[C@H](O)CC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000090950138 407173034 /nfs/dbraw/zinc/17/30/34/407173034.db2.gz QQZRVVVBSYRWGY-CABCVRRESA-N 1 0 308.378 1.903 20 5 DDBDRO CC(C)C[NH+]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000053782180 407173811 /nfs/dbraw/zinc/17/38/11/407173811.db2.gz IKXFVWFIKNXWQZ-UHFFFAOYSA-N 1 0 320.393 1.467 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(N(C)CCCN2CC[NH+](C)CC2)n1 ZINC000125425004 407388230 /nfs/dbraw/zinc/38/82/30/407388230.db2.gz YWXHUXUBHOHDJI-UHFFFAOYSA-N 1 0 307.398 1.372 20 5 DDBDRO CCCC[N@H+](C)CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000112309932 407426029 /nfs/dbraw/zinc/42/60/29/407426029.db2.gz IYGVMCRIMLENGM-UHFFFAOYSA-N 1 0 312.345 1.778 20 5 DDBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000185725684 407487432 /nfs/dbraw/zinc/48/74/32/407487432.db2.gz AZZNSTXUYBMNIT-PWSUYJOCSA-N 1 0 322.365 1.498 20 5 DDBDRO [NH3+]C[C@@H]1CCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000178538964 407488295 /nfs/dbraw/zinc/48/82/95/407488295.db2.gz SFVOHLVTOUHJMN-LBPRGKRZSA-N 1 0 318.377 1.616 20 5 DDBDRO O=C(CNc1ccccc1[N+](=O)[O-])NCCC[NH+]1CCCC1 ZINC000170917911 407555632 /nfs/dbraw/zinc/55/56/32/407555632.db2.gz XHXLENOCTOZYAE-UHFFFAOYSA-N 1 0 306.366 1.609 20 5 DDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000178627223 407517883 /nfs/dbraw/zinc/51/78/83/407517883.db2.gz KBGUGJKJJZPNRT-IUODEOHRSA-N 1 0 318.377 1.702 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000261763744 407607304 /nfs/dbraw/zinc/60/73/04/407607304.db2.gz VFGNFVGNLCUBHZ-ZDUSSCGKSA-N 1 0 313.379 1.263 20 5 DDBDRO C[NH+]1CCC(O)(CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000266728630 407612636 /nfs/dbraw/zinc/61/26/36/407612636.db2.gz OADTWXHWIFIPRT-QPJJXVBHSA-N 1 0 319.361 1.181 20 5 DDBDRO C[C@H](CC[NH+](C)C)Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000271322178 407634778 /nfs/dbraw/zinc/63/47/78/407634778.db2.gz UMCQVQRYFTUERB-MRVPVSSYSA-N 1 0 321.424 1.812 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+]C1(CO)CCCC1 ZINC000179060434 407707088 /nfs/dbraw/zinc/70/70/88/407707088.db2.gz ABFKEHFLPBFEKB-UHFFFAOYSA-N 1 0 307.350 1.736 20 5 DDBDRO CN(C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)[C@H]1CC[NH2+]C1 ZINC000179066263 407710299 /nfs/dbraw/zinc/71/02/99/407710299.db2.gz ZHTCFCASUSEEMC-ZDUSSCGKSA-N 1 0 318.377 1.629 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)c1 ZINC000261905681 407663097 /nfs/dbraw/zinc/66/30/97/407663097.db2.gz PKPNJBVZZBVJHN-ZDUSSCGKSA-N 1 0 318.377 1.023 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[NH+]2CCC(OC[C@H]3CCOC3)CC2)c1 ZINC000131690224 407749361 /nfs/dbraw/zinc/74/93/61/407749361.db2.gz KRHCCFUHBRPCQF-ZDUSSCGKSA-N 1 0 324.381 1.309 20 5 DDBDRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000236721483 407762053 /nfs/dbraw/zinc/76/20/53/407762053.db2.gz NHEYCCPWUXZKRK-LBPRGKRZSA-N 1 0 311.386 1.358 20 5 DDBDRO Cc1n[nH]c(C(=O)NC2CC[NH+](C3CCCC3)CC2)c1[N+](=O)[O-] ZINC000267127115 407758115 /nfs/dbraw/zinc/75/81/15/407758115.db2.gz CDDNFXLMJTVRLB-UHFFFAOYSA-N 1 0 321.381 1.763 20 5 DDBDRO CC[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000182318334 306703809 /nfs/dbraw/zinc/70/38/09/306703809.db2.gz VCAWSZZXMRKBRZ-GXTWGEPZSA-N 1 0 307.350 1.741 20 5 DDBDRO COC[C@@]1(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)CC[NH2+]C1 ZINC000262442167 407836298 /nfs/dbraw/zinc/83/62/98/407836298.db2.gz GXCVFWBKJDWXOO-XHDPSFHLSA-N 1 0 307.350 1.398 20 5 DDBDRO C[NH+](C)C1CN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000134904555 407946670 /nfs/dbraw/zinc/94/66/70/407946670.db2.gz SGUGJLZCMGYAII-UHFFFAOYSA-N 1 0 317.267 2.000 20 5 DDBDRO COc1cc(C[NH2+]C[C@H](C)O)c([N+](=O)[O-])cc1OCC(F)F ZINC000272501738 407949713 /nfs/dbraw/zinc/94/97/13/407949713.db2.gz VSYRYZLERVQHRG-QMMMGPOBSA-N 1 0 320.292 1.718 20 5 DDBDRO C[C@@H]1C[C@@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000180854406 407923712 /nfs/dbraw/zinc/92/37/12/407923712.db2.gz XSNCBTBHPRGMNV-NXEZZACHSA-N 1 0 304.350 1.532 20 5 DDBDRO C[N@H+]1CC=C(CNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC1 ZINC000272576616 407991964 /nfs/dbraw/zinc/99/19/64/407991964.db2.gz VVFSFCBSISUOKZ-UHFFFAOYSA-N 1 0 319.317 1.315 20 5 DDBDRO Cc1nn(C)c(C(=O)NC[C@H]2CCC[N@H+]2CC(C)C)c1[N+](=O)[O-] ZINC000119451642 408073186 /nfs/dbraw/zinc/07/31/86/408073186.db2.gz TWBXPUUECQKETM-GFCCVEGCSA-N 1 0 323.397 1.487 20 5 DDBDRO CC(C)([NH2+]CCn1cc([N+](=O)[O-])cn1)C(=O)NCC1CCCC1 ZINC000155040739 408117901 /nfs/dbraw/zinc/11/79/01/408117901.db2.gz YNTGDOHDVBBYBK-UHFFFAOYSA-N 1 0 323.397 1.466 20 5 DDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000190201367 408187037 /nfs/dbraw/zinc/18/70/37/408187037.db2.gz GKUMNAZMSCZYPM-SNVBAGLBSA-N 1 0 304.350 1.391 20 5 DDBDRO CCOCCC[N@@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000273572939 408251696 /nfs/dbraw/zinc/25/16/96/408251696.db2.gz DMZVKHCBNHDWEH-TZMCWYRMSA-N 1 0 323.397 1.934 20 5 DDBDRO CC(=O)N1CC[C@@H](C[N@H+](C)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000156444397 408253976 /nfs/dbraw/zinc/25/39/76/408253976.db2.gz TXDRQJJIRSCENJ-AWEZNQCLSA-N 1 0 321.377 1.774 20 5 DDBDRO C[C@@H]1CCC[N@H+](CCNC(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000175994814 408258621 /nfs/dbraw/zinc/25/86/21/408258621.db2.gz MDXVWLHZKUAQGE-LLVKDONJSA-N 1 0 306.366 1.639 20 5 DDBDRO Cc1c(C(=O)NCC(F)(F)CN)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000190284371 408210426 /nfs/dbraw/zinc/21/04/26/408210426.db2.gz TYNVLVAKVMHIRN-UHFFFAOYSA-N 1 0 318.236 1.135 20 5 DDBDRO C[N@@H+]1CCC[C@@H]2CN(c3ncc([N+](=O)[O-])cc3C(N)=O)CC[C@H]21 ZINC000268841227 408214990 /nfs/dbraw/zinc/21/49/90/408214990.db2.gz ORDNHJNRPJQWCJ-ZWNOBZJWSA-N 1 0 319.365 1.009 20 5 DDBDRO CC(C)C(=O)NC[C@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176225452 408314643 /nfs/dbraw/zinc/31/46/43/408314643.db2.gz XWQBMPHZOWHVEN-CYBMUJFWSA-N 1 0 323.397 1.276 20 5 DDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1F)N1CC[NH+](CC2CC2)CC1 ZINC000133459753 162058851 /nfs/dbraw/zinc/05/88/51/162058851.db2.gz WGRXAERPLCMUEZ-UHFFFAOYSA-N 1 0 321.352 1.831 20 5 DDBDRO C[N@@H+]1CC[C@H](CNc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C1 ZINC000137964210 162129461 /nfs/dbraw/zinc/12/94/61/162129461.db2.gz LAZAYMYRCBHKNE-SNVBAGLBSA-N 1 0 313.379 1.362 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000171447392 162218980 /nfs/dbraw/zinc/21/89/80/162218980.db2.gz MLXJUZOKJCKVMP-ZDUSSCGKSA-N 1 0 319.361 1.914 20 5 DDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)NCCCC[NH+]1CCOCC1 ZINC000173110127 162322357 /nfs/dbraw/zinc/32/23/57/162322357.db2.gz REHUIODVMFZSRT-UHFFFAOYSA-N 1 0 321.377 1.366 20 5 DDBDRO C[C@H](C[NH3+])NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000274382446 408384292 /nfs/dbraw/zinc/38/42/92/408384292.db2.gz BDMDWHDBSMQHPH-LLVKDONJSA-N 1 0 306.366 1.662 20 5 DDBDRO Cc1n[nH]c(C(=O)N2CCC[C@H]2C[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000264194755 408396241 /nfs/dbraw/zinc/39/62/41/408396241.db2.gz OIXDPCHYZZQBJT-NSHDSACASA-N 1 0 307.354 1.327 20 5 DDBDRO C[C@@H]1CC(O)C[C@H](C)[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000191282773 408399214 /nfs/dbraw/zinc/39/92/14/408399214.db2.gz AIDGIAZWFVAULW-HWYHXSKPSA-N 1 0 307.350 1.427 20 5 DDBDRO COc1ccc(CN2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000247161614 408418977 /nfs/dbraw/zinc/41/89/77/408418977.db2.gz MIWSTJFFHIUTGG-STQMWFEESA-N 1 0 323.393 1.490 20 5 DDBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@](C)(O)C[NH+](C)C ZINC000183476067 408420943 /nfs/dbraw/zinc/42/09/43/408420943.db2.gz MWQPJPQIDCAZLQ-YHVDPYDOSA-N 1 0 321.377 1.427 20 5 DDBDRO CN(C)C(=O)c1ccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000176756753 408435816 /nfs/dbraw/zinc/43/58/16/408435816.db2.gz FTSAZBQTJDYUJW-UHFFFAOYSA-N 1 0 316.361 1.957 20 5 DDBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000247523659 408487757 /nfs/dbraw/zinc/48/77/57/408487757.db2.gz WPZVXRQXTAEJLT-SWLSCSKDSA-N 1 0 321.377 1.772 20 5 DDBDRO C[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C[C@@H]1CCOC1 ZINC000248470924 408576589 /nfs/dbraw/zinc/57/65/89/408576589.db2.gz VLNAJDIMKOYKAO-QWHCGFSZSA-N 1 0 310.350 1.303 20 5 DDBDRO CN(CC(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1)c1ccccc1[N+](=O)[O-] ZINC000192484675 408596841 /nfs/dbraw/zinc/59/68/41/408596841.db2.gz JPPZJMODSGTSAL-BETUJISGSA-N 1 0 318.377 1.051 20 5 DDBDRO C[C@@H](C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)[C@H](C)[NH3+] ZINC000192068437 408538195 /nfs/dbraw/zinc/53/81/95/408538195.db2.gz BHUQWGFFWLIKHJ-NEPJUHHUSA-N 1 0 321.377 1.948 20 5 DDBDRO CCc1ccc(C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1[N+](=O)[O-] ZINC000248631602 408603890 /nfs/dbraw/zinc/60/38/90/408603890.db2.gz PEJVLHIDVPTZOP-IHRRRGAJSA-N 1 0 303.362 1.967 20 5 DDBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1C[C@@H](C)[C@@H]([NH+](C)C)C1 ZINC000270690563 408639296 /nfs/dbraw/zinc/63/92/96/408639296.db2.gz XJOKRZZZHSESIB-XUJVJEKNSA-N 1 0 320.393 1.804 20 5 DDBDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000177552156 408654322 /nfs/dbraw/zinc/65/43/22/408654322.db2.gz IHZBUCZSNFQVHD-QWHCGFSZSA-N 1 0 321.377 1.963 20 5 DDBDRO Cc1nn(C)c(C(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000270736708 408657255 /nfs/dbraw/zinc/65/72/55/408657255.db2.gz BOOMWTGAMQCCNG-NSHDSACASA-N 1 0 323.397 1.439 20 5 DDBDRO CC(C)([NH3+])C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000161975354 408658015 /nfs/dbraw/zinc/65/80/15/408658015.db2.gz DWQXSEWGLTXAPA-UHFFFAOYSA-N 1 0 307.350 1.702 20 5 DDBDRO C[C@H](CNc1ncc([N+](=O)[O-])cc1Cl)N1CC[NH+](C)CC1 ZINC000265496220 408673898 /nfs/dbraw/zinc/67/38/98/408673898.db2.gz HFDBJHWYIBPLQX-SNVBAGLBSA-N 1 0 313.789 1.691 20 5 DDBDRO C[C@H]([NH2+]C[C@H]1CC[C@H](C(=O)N(C)C)O1)c1cccc([N+](=O)[O-])c1 ZINC000183464936 306711177 /nfs/dbraw/zinc/71/11/77/306711177.db2.gz WKOIZPZWYRYMBU-NILFDRSVSA-N 1 0 321.377 1.881 20 5 DDBDRO COc1cc(CCNC(=O)[C@H]2CCC[NH2+]2)c([N+](=O)[O-])cc1OC ZINC000192974969 408677627 /nfs/dbraw/zinc/67/76/27/408677627.db2.gz WTJCMQGWJREZIF-LLVKDONJSA-N 1 0 323.349 1.023 20 5 DDBDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000164177946 408795692 /nfs/dbraw/zinc/79/56/92/408795692.db2.gz GDDDNOYPMJEKNM-LLVKDONJSA-N 1 0 309.370 1.558 20 5 DDBDRO C[C@@H](C(=O)NC[C@@H]1CC[N@H+](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000185183449 408775612 /nfs/dbraw/zinc/77/56/12/408775612.db2.gz NWUZMFDDRQWAGM-MNOVXSKESA-N 1 0 309.341 1.905 20 5 DDBDRO O=[N+]([O-])c1cc(Cl)cnc1NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000250817944 408779779 /nfs/dbraw/zinc/77/97/79/408779779.db2.gz WIODLFDGQKXGAM-WDEREUQCSA-N 1 0 312.757 1.918 20 5 DDBDRO Cc1cc(C(=O)N2CCO[C@H]3CC[N@@H+](C)C[C@@H]32)cc([N+](=O)[O-])c1 ZINC000285872566 408880851 /nfs/dbraw/zinc/88/08/51/408880851.db2.gz RLCNJFFXPORUHD-GJZGRUSLSA-N 1 0 319.361 1.448 20 5 DDBDRO [NH3+]CC[C@@H]1CCCN(C(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000281879902 408946689 /nfs/dbraw/zinc/94/66/89/408946689.db2.gz GALXNSXJOWADAG-LBPRGKRZSA-N 1 0 306.366 1.594 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000277609199 408976710 /nfs/dbraw/zinc/97/67/10/408976710.db2.gz PNOPMVSYYFROCT-KBPBESRZSA-N 1 0 319.361 1.960 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000277638646 408982799 /nfs/dbraw/zinc/98/27/99/408982799.db2.gz TUHZCGDKHVQUOJ-IINYFYTJSA-N 1 0 319.361 1.816 20 5 DDBDRO CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@H](C)CO ZINC000292302916 409020860 /nfs/dbraw/zinc/02/08/60/409020860.db2.gz UXNWLWCJTLNPDS-GFCCVEGCSA-N 1 0 309.366 1.935 20 5 DDBDRO CN(CCC[NH+]1CCCC1)C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000282754456 409062010 /nfs/dbraw/zinc/06/20/10/409062010.db2.gz KMIMASREISOTFF-UHFFFAOYSA-N 1 0 324.356 1.874 20 5 DDBDRO CC(C)[C@H]1C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)CCCO1 ZINC000293237219 409074280 /nfs/dbraw/zinc/07/42/80/409074280.db2.gz SOXGYDWWQSZGNJ-CQSZACIVSA-N 1 0 309.366 1.503 20 5 DDBDRO CC(C)[N@@H+]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000283166136 409102889 /nfs/dbraw/zinc/10/28/89/409102889.db2.gz PEGKEUIDFWGQTA-SNVBAGLBSA-N 1 0 324.356 1.919 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](CCOCCO)C(C)C ZINC000283628253 409187491 /nfs/dbraw/zinc/18/74/91/409187491.db2.gz BFPLURKNFYBOBD-UHFFFAOYSA-N 1 0 312.366 1.823 20 5 DDBDRO C[N@@H+]1CC[C@]2(CCN(C(=O)c3ccc(N)c([N+](=O)[O-])c3)C2)C1 ZINC000293658817 409156032 /nfs/dbraw/zinc/15/60/32/409156032.db2.gz HQKKBJHMAXEYDE-HNNXBMFYSA-N 1 0 304.350 1.345 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H]([N@H+](C)CCO)[C@H]1C ZINC000293697263 409162615 /nfs/dbraw/zinc/16/26/15/409162615.db2.gz OSMHQSVCZCLAHW-IUODEOHRSA-N 1 0 321.377 1.430 20 5 DDBDRO C[NH+](C)CC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000279191837 409167063 /nfs/dbraw/zinc/16/70/63/409167063.db2.gz HCCHUOBNQVUGAB-UHFFFAOYSA-N 1 0 305.256 1.791 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NCCCCC[NH+]1CCCC1 ZINC000293872089 409198466 /nfs/dbraw/zinc/19/84/66/409198466.db2.gz HVSXCRALTXKOKH-UHFFFAOYSA-N 1 0 323.397 1.482 20 5 DDBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000284012544 409257819 /nfs/dbraw/zinc/25/78/19/409257819.db2.gz OEMLNHWEDWJTPU-JTQLQIEISA-N 1 0 324.356 1.920 20 5 DDBDRO C[NH+](C)CCNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000294312931 409277250 /nfs/dbraw/zinc/27/72/50/409277250.db2.gz YMAKHCIHZNPXGF-UHFFFAOYSA-N 1 0 305.256 1.905 20 5 DDBDRO CO[C@H]1COC[C@@H]1[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000290130706 409306818 /nfs/dbraw/zinc/30/68/18/409306818.db2.gz LRRYDWAXEPKXKP-KBPBESRZSA-N 1 0 323.349 1.235 20 5 DDBDRO Cc1cc(C(=O)N[C@H]2CCC[N@H+](CCCO)C2)cc([N+](=O)[O-])c1 ZINC000295513624 409325932 /nfs/dbraw/zinc/32/59/32/409325932.db2.gz QBCJWILVTCOWCH-AWEZNQCLSA-N 1 0 321.377 1.480 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)CN2CCCC[C@H]2c2cc[nH]n2)c1 ZINC000285390761 409422787 /nfs/dbraw/zinc/42/27/87/409422787.db2.gz NXXJLDZYXQMSML-OCCSQVGLSA-N 1 0 320.353 1.103 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000296105836 409431502 /nfs/dbraw/zinc/43/15/02/409431502.db2.gz GYIPOHRGZYPOGJ-SNVBAGLBSA-N 1 0 308.338 1.677 20 5 DDBDRO O=C1NC(=O)C2(CCC([NH2+]Cc3cccc([N+](=O)[O-])c3)CC2)N1 ZINC000285438048 409447176 /nfs/dbraw/zinc/44/71/76/409447176.db2.gz HXXZBHCWIFQDDS-UHFFFAOYSA-N 1 0 318.333 1.205 20 5 DDBDRO C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3csc([N+](=O)[O-])c3)[C@H]2C1 ZINC000285592927 409501125 /nfs/dbraw/zinc/50/11/25/409501125.db2.gz CALDFNMWFSPXNF-QWRGUYRKSA-N 1 0 311.363 1.201 20 5 DDBDRO O=C(CC[N@H+]1CCC[C@@H](CO)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000303040565 409525705 /nfs/dbraw/zinc/52/57/05/409525705.db2.gz NLZMPNDHFPSUKG-GFCCVEGCSA-N 1 0 307.350 1.628 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NCC[NH+]1CCC(O)CC1 ZINC000296783860 409636602 /nfs/dbraw/zinc/63/66/02/409636602.db2.gz CYXXLWHMDOGIJV-UHFFFAOYSA-N 1 0 307.350 1.090 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@H]2C2CCCC2)c1 ZINC000304380552 409616041 /nfs/dbraw/zinc/61/60/41/409616041.db2.gz YGJBCMSHOCRDPS-CABCVRRESA-N 1 0 308.382 1.807 20 5 DDBDRO [NH3+][C@H]1CCc2ncc(NC(=O)c3cc([N+](=O)[O-])c[nH]3)cc2C1 ZINC000349009526 409643906 /nfs/dbraw/zinc/64/39/06/409643906.db2.gz XCVORGJVCXEXRT-VIFPVBQESA-N 1 0 301.306 1.386 20 5 DDBDRO CCC[N@@H+]1CCC[C@H]1C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000354139155 409690004 /nfs/dbraw/zinc/69/00/04/409690004.db2.gz PKAFJUXRTVJWJH-HNNXBMFYSA-N 1 0 320.393 1.997 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)CN2CC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000305173979 409713259 /nfs/dbraw/zinc/71/32/59/409713259.db2.gz KRCPDNATVJIQPD-HZPDHXFCSA-N 1 0 305.378 1.798 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCC[NH+]1CCC(O)CC1 ZINC000296946860 409719946 /nfs/dbraw/zinc/71/99/46/409719946.db2.gz NFQXUZMJMZOFND-UHFFFAOYSA-N 1 0 307.350 1.090 20 5 DDBDRO Cn1nc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000357050517 409820940 /nfs/dbraw/zinc/82/09/40/409820940.db2.gz IEFWAQRTZYFGEO-GFCCVEGCSA-N 1 0 321.381 1.132 20 5 DDBDRO [NH3+]CC1CCN(C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)CC1 ZINC000297289443 409894951 /nfs/dbraw/zinc/89/49/51/409894951.db2.gz USPMGKPXOWLGPM-UHFFFAOYSA-N 1 0 321.362 1.410 20 5 DDBDRO C[C@H]1C[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000354613089 409967330 /nfs/dbraw/zinc/96/73/30/409967330.db2.gz IMQDGQIITBGJAO-WDEREUQCSA-N 1 0 313.379 1.356 20 5 DDBDRO C[C@H](CNc1nccc(C(N)=O)c1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC000357308536 409967626 /nfs/dbraw/zinc/96/76/26/409967626.db2.gz WNYSRUZWRVXNEZ-GHMZBOCLSA-N 1 0 321.381 1.621 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](CCO)C1CC1 ZINC000297835087 410018638 /nfs/dbraw/zinc/01/86/38/410018638.db2.gz KBZSUTXXNJYNNU-UHFFFAOYSA-N 1 0 323.349 1.389 20 5 DDBDRO O=C(Nc1ccncc1[N+](=O)[O-])N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000332317177 410063325 /nfs/dbraw/zinc/06/33/25/410063325.db2.gz PQUDDPQSNRGVBP-GFCCVEGCSA-N 1 0 319.365 1.265 20 5 DDBDRO COC(=O)[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)[C@H]1C ZINC000346695004 410091205 /nfs/dbraw/zinc/09/12/05/410091205.db2.gz XRTIGVQTGIDDNE-GWCFXTLKSA-N 1 0 308.334 1.987 20 5 DDBDRO C[NH+](C)CCOCCNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000347261360 410427791 /nfs/dbraw/zinc/42/77/91/410427791.db2.gz MFNZBANLHDYULI-UHFFFAOYSA-N 1 0 314.317 1.434 20 5 DDBDRO CC(C)[N@H+](C[C@@H](C)O)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000343511141 410499885 /nfs/dbraw/zinc/49/98/85/410499885.db2.gz NCZAJAZJKPNJRE-OLZOCXBDSA-N 1 0 312.366 1.426 20 5 DDBDRO Cc1cc(C(=O)NC[C@](C)(O)CC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000352113111 410491180 /nfs/dbraw/zinc/49/11/80/410491180.db2.gz ZOAUBARFKATSHF-OAHLLOKOSA-N 1 0 309.366 1.336 20 5 DDBDRO CCC[N@@H+]1CCC[C@@H]1CNC(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000343620176 410572889 /nfs/dbraw/zinc/57/28/89/410572889.db2.gz GGXGOGBGTXFAGK-CYBMUJFWSA-N 1 0 323.397 1.480 20 5 DDBDRO CCC[C@@H]1C[NH2+]CCN1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000359044926 410545745 /nfs/dbraw/zinc/54/57/45/410545745.db2.gz OXNCGUXFSXJPKJ-CQSZACIVSA-N 1 0 320.393 1.916 20 5 DDBDRO O=C(c1ccc2c[nH+]cn2c1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000340004440 410611114 /nfs/dbraw/zinc/61/11/14/410611114.db2.gz HMPXVRVPSGOAGP-UHFFFAOYSA-N 1 0 323.312 1.836 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@H]1CCNC1=O ZINC000340222398 410769892 /nfs/dbraw/zinc/76/98/92/410769892.db2.gz MHFIGONZHKTCSP-ZDUSSCGKSA-N 1 0 320.349 1.052 20 5 DDBDRO CN(C(=O)CNc1ccccc1[N+](=O)[O-])[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000347900115 410781097 /nfs/dbraw/zinc/78/10/97/410781097.db2.gz SQKHEAKVRGXFHN-CYBMUJFWSA-N 1 0 318.377 1.702 20 5 DDBDRO CCc1nn(C)c(NC2CC[NH+](CCOC)CC2)c1[N+](=O)[O-] ZINC000301943379 410832043 /nfs/dbraw/zinc/83/20/43/410832043.db2.gz YGAVEMKRECELCZ-UHFFFAOYSA-N 1 0 311.386 1.413 20 5 DDBDRO CC[NH+]1CCC(N(C)C(=O)c2cc([N+](=O)[O-])cnc2C)CC1 ZINC000330630348 410837692 /nfs/dbraw/zinc/83/76/92/410837692.db2.gz OFXWCPCGUBPSJP-UHFFFAOYSA-N 1 0 306.366 1.855 20 5 DDBDRO Cn1nc([N+](=O)[O-])cc1C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000356159277 410870183 /nfs/dbraw/zinc/87/01/83/410870183.db2.gz PRBHVYVESCHUDZ-UHFFFAOYSA-N 1 0 323.397 1.713 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)c1 ZINC000343995410 410876236 /nfs/dbraw/zinc/87/62/36/410876236.db2.gz QISFDSGASFYJDQ-ZCDTZLGTSA-N 1 0 322.361 1.037 20 5 DDBDRO Cn1c(C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000341175805 410915960 /nfs/dbraw/zinc/91/59/60/410915960.db2.gz UHSWCSOFIDJMDN-LBPRGKRZSA-N 1 0 306.366 1.634 20 5 DDBDRO CN(CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@@H](C[NH3+])C1CC1 ZINC000359983142 410983368 /nfs/dbraw/zinc/98/33/68/410983368.db2.gz GSYOEVXFVBBSKK-HNNXBMFYSA-N 1 0 318.377 1.153 20 5 DDBDRO C[C@H]1CCC[C@@](CNC(=O)c2cc([N+](=O)[O-])nn2C)([NH+](C)C)C1 ZINC000356472465 411048122 /nfs/dbraw/zinc/04/81/22/411048122.db2.gz BDLKVOZTOPMHIK-XHDPSFHLSA-N 1 0 323.397 1.569 20 5 DDBDRO C[N@H+](CC1(O)CCC1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000353487222 411023631 /nfs/dbraw/zinc/02/36/31/411023631.db2.gz DERCZLFKKIWACE-CQSZACIVSA-N 1 0 319.361 1.547 20 5 DDBDRO C[NH+](C)Cc1ccc(C(=O)NCCn2cc([N+](=O)[O-])cn2)cc1 ZINC000129973757 196083745 /nfs/dbraw/zinc/08/37/45/196083745.db2.gz MSJUIFXQDPCGKD-UHFFFAOYSA-N 1 0 317.349 1.283 20 5 DDBDRO CCO[C@H]1COCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000362009978 307012396 /nfs/dbraw/zinc/01/23/96/307012396.db2.gz BQVQQWOWJMTAQA-WFASDCNBSA-N 1 0 310.350 1.887 20 5 DDBDRO COc1ccc(CNC(=O)N2CC[C@H]([NH3+])[C@@H]2C)cc1[N+](=O)[O-] ZINC000417180650 225234377 /nfs/dbraw/zinc/23/43/77/225234377.db2.gz HEZDZTXWECGVFR-ONGXEEELSA-N 1 0 308.338 1.235 20 5 DDBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000360561815 418464660 /nfs/dbraw/zinc/46/46/60/418464660.db2.gz KDHLEFXSBTVQEX-LRDDRELGSA-N 1 0 318.377 1.607 20 5 DDBDRO O=C(c1cccc([O-])c1[N+](=O)[O-])N1CCC(n2ccnc2)CC1 ZINC000373838231 418464699 /nfs/dbraw/zinc/46/46/99/418464699.db2.gz CFYLHIVBSAHRIF-UHFFFAOYSA-N 1 0 316.317 1.974 20 5 DDBDRO COc1cc(OCC(=O)NC[C@H]2CCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000195186999 418554788 /nfs/dbraw/zinc/55/47/88/418554788.db2.gz VEQLIKBXTPNMSS-LLVKDONJSA-N 1 0 323.349 1.193 20 5 DDBDRO O=C(C1CC1)[C@@H]1CN(CCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000360960671 418555855 /nfs/dbraw/zinc/55/58/55/418555855.db2.gz ZTWIZYBICJXYMT-HNNXBMFYSA-N 1 0 304.346 1.817 20 5 DDBDRO O=C(CC[NH+]1CC([C@@H]2CCOC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000367130480 418563527 /nfs/dbraw/zinc/56/35/27/418563527.db2.gz HDBDPIOWBXNANM-GFCCVEGCSA-N 1 0 319.361 1.892 20 5 DDBDRO O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000195190714 222193670 /nfs/dbraw/zinc/19/36/70/222193670.db2.gz XAOYPCVFGWFEDS-LBPRGKRZSA-N 1 0 314.345 1.996 20 5 DDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@]2(CCC[C@@H]2[NH3+])C1 ZINC000367647650 418619129 /nfs/dbraw/zinc/61/91/29/418619129.db2.gz CDJGMAQVXPWQGN-DZGCQCFKSA-N 1 0 304.350 1.521 20 5 DDBDRO O=[N+]([O-])c1cnc2c(c1)CN(CC[N@@H+]1CCCOCC1)CC2 ZINC000361349330 418631801 /nfs/dbraw/zinc/63/18/01/418631801.db2.gz UGVZCAOYWMKTIB-UHFFFAOYSA-N 1 0 306.366 1.070 20 5 DDBDRO CC(C)c1ccc(C[N@@H+]2CCC[C@@](O)(C(N)=O)C2)cc1[N+](=O)[O-] ZINC000375532145 418655482 /nfs/dbraw/zinc/65/54/82/418655482.db2.gz IKKVKCXOSSGCDU-INIZCTEOSA-N 1 0 321.377 1.530 20 5 DDBDRO COc1cc(C(=O)N[C@H]2CC[C@H](C[NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000382465029 418730657 /nfs/dbraw/zinc/73/06/57/418730657.db2.gz ZZMVHFISTOXOBC-UWVGGRQHSA-N 1 0 323.349 1.469 20 5 DDBDRO CCN1CC[C@@H](Nc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C1 ZINC000389251103 418749007 /nfs/dbraw/zinc/74/90/07/418749007.db2.gz BMWJIOODOBVWJS-SNVBAGLBSA-N 1 0 313.379 1.504 20 5 DDBDRO Nc1nc(N2CCC[C@@H]([NH+]3CCCCC3)C2)ncc1[N+](=O)[O-] ZINC000363395982 418765360 /nfs/dbraw/zinc/76/53/60/418765360.db2.gz OTINLZBHVMNIGE-LLVKDONJSA-N 1 0 306.370 1.422 20 5 DDBDRO CCOc1ccc(C(=O)N[C@@H]2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000372437123 418869482 /nfs/dbraw/zinc/86/94/82/418869482.db2.gz LPBCUMJREXWBKO-GFCCVEGCSA-N 1 0 307.350 1.865 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH3+])C2 ZINC000372449007 418872272 /nfs/dbraw/zinc/87/22/72/418872272.db2.gz XKICXSZPJHMWPW-ZSBIGDGJSA-N 1 0 318.377 1.755 20 5 DDBDRO Cn1ccnc1[C@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000365651417 418888649 /nfs/dbraw/zinc/88/86/49/418888649.db2.gz VYDNMSQSNIDZPW-LBPRGKRZSA-N 1 0 304.354 1.404 20 5 DDBDRO Cc1nn(CCC(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)c(C)c1[N+](=O)[O-] ZINC000424022125 228220529 /nfs/dbraw/zinc/22/05/29/228220529.db2.gz UPUABHIXRGRHTM-MFKMUULPSA-N 1 0 323.397 1.242 20 5 DDBDRO C[C@H]1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000424021124 228220679 /nfs/dbraw/zinc/22/06/79/228220679.db2.gz TUDUUVHEUPVHGU-NWDGAFQWSA-N 1 0 306.366 1.450 20 5 DDBDRO Cc1c(CC(=O)N2CCCO[C@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000424024772 228220857 /nfs/dbraw/zinc/22/08/57/228220857.db2.gz RHQHSPLHTXWLDN-CYBMUJFWSA-N 1 0 307.350 1.022 20 5 DDBDRO [NH3+][C@@H]1CCC[C@H](NC(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000417930067 419394268 /nfs/dbraw/zinc/39/42/68/419394268.db2.gz AXEVGXFPBFMPOP-OLZOCXBDSA-N 1 0 306.366 1.706 20 5 DDBDRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000417938194 419400253 /nfs/dbraw/zinc/40/02/53/419400253.db2.gz JBSPBVFPUQNQGN-HIFRSBDPSA-N 1 0 320.393 1.954 20 5 DDBDRO CCCC[C@@H](C[NH3+])NC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000417948508 419411035 /nfs/dbraw/zinc/41/10/35/419411035.db2.gz TVAFADISZKEPBS-ZDUSSCGKSA-N 1 0 308.382 1.954 20 5 DDBDRO O=C(C[N@H+]1CCC[C@H]1CCO)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000426241817 419417780 /nfs/dbraw/zinc/41/77/80/419417780.db2.gz XEKWEDDOLCNWAV-ZDUSSCGKSA-N 1 0 319.361 1.331 20 5 DDBDRO Cc1nn(C)cc1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000425974523 419375489 /nfs/dbraw/zinc/37/54/89/419375489.db2.gz DESRQXWKMZKGQJ-UHFFFAOYSA-N 1 0 304.354 1.670 20 5 DDBDRO CN(CCC(=O)Nc1ccccc1[N+](=O)[O-])C[C@@H]1CCC[N@@H+]1C ZINC000420993826 419427360 /nfs/dbraw/zinc/42/73/60/419427360.db2.gz BIGIXAQKSWVWIJ-ZDUSSCGKSA-N 1 0 320.393 1.949 20 5 DDBDRO C[C@H](NC(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1)c1ccccc1[N+](=O)[O-] ZINC000417991470 419457210 /nfs/dbraw/zinc/45/72/10/419457210.db2.gz VNESZYXEIPVVKO-XQQFMLRXSA-N 1 0 318.377 1.907 20 5 DDBDRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000418109211 419537453 /nfs/dbraw/zinc/53/74/53/419537453.db2.gz HXOVKGSHVRNCKP-ZWXLGZMVSA-N 1 0 319.405 1.995 20 5 DDBDRO COc1ccc(CNC(=O)C[C@H]2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000427346464 419639989 /nfs/dbraw/zinc/63/99/89/419639989.db2.gz JDWLZULKCTZDRX-LBPRGKRZSA-N 1 0 321.377 1.999 20 5 DDBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000421710517 419699021 /nfs/dbraw/zinc/69/90/21/419699021.db2.gz KZMHHZAJUCLMOH-LLVKDONJSA-N 1 0 317.349 1.637 20 5 DDBDRO O=C(C[C@@H]1CCC[NH2+]CC1)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000427358903 419642830 /nfs/dbraw/zinc/64/28/30/419642830.db2.gz LGKVWFOOSGLVQY-CYBMUJFWSA-N 1 0 320.393 1.903 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)NCC(C)(C)C[NH+]2CCCC2)n1 ZINC000427354086 419643543 /nfs/dbraw/zinc/64/35/43/419643543.db2.gz FYCGGMKYNJAZPM-UHFFFAOYSA-N 1 0 323.397 1.663 20 5 DDBDRO C[C@H]1C[N@H+](CCO)CCN1c1ccc([N+](=O)[O-])c2ncccc12 ZINC000413312700 419778351 /nfs/dbraw/zinc/77/83/51/419778351.db2.gz GHUZBLBILRPHMV-LBPRGKRZSA-N 1 0 316.361 1.646 20 5 DDBDRO CCC[NH2+]CCNC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000418480486 419826093 /nfs/dbraw/zinc/82/60/93/419826093.db2.gz QUJCEVAPOZDIGU-UHFFFAOYSA-N 1 0 324.385 1.137 20 5 DDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000428035782 419796259 /nfs/dbraw/zinc/79/62/59/419796259.db2.gz VWWQWKZXIGQVRL-XUJVJEKNSA-N 1 0 318.377 1.606 20 5 DDBDRO COc1cc(CNCC[C@H]2CCC[NH2+]2)c([N+](=O)[O-])cc1OC ZINC000414901457 419866671 /nfs/dbraw/zinc/86/66/71/419866671.db2.gz GJTITDYCXVJTJG-GFCCVEGCSA-N 1 0 309.366 1.844 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)n1 ZINC000434443312 229296746 /nfs/dbraw/zinc/29/67/46/229296746.db2.gz XGGZHUUAPBJYJS-GFCCVEGCSA-N 1 0 321.381 1.558 20 5 DDBDRO C[C@H]1C[C@@H](O)CC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000429115373 419970573 /nfs/dbraw/zinc/97/05/73/419970573.db2.gz ODOFYSSOUUSZLX-AVGNSLFASA-N 1 0 310.350 1.180 20 5 DDBDRO CSC[C@H]1CCC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000429295842 419999163 /nfs/dbraw/zinc/99/91/63/419999163.db2.gz BGXDXQPPLUGMSP-WCQYABFASA-N 1 0 314.411 1.227 20 5 DDBDRO CN1CCNC[C@@H]1C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423519522 420069167 /nfs/dbraw/zinc/06/91/67/420069167.db2.gz PEAOBJCEIYVZSO-HZPDHXFCSA-N 1 0 318.421 1.409 20 5 DDBDRO CN1CCNC[C@H]1C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423519524 420069597 /nfs/dbraw/zinc/06/95/97/420069597.db2.gz PEAOBJCEIYVZSO-JKSUJKDBSA-N 1 0 318.421 1.409 20 5 DDBDRO COc1ccc(NC(=O)N[C@](C)(C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000415432091 420062884 /nfs/dbraw/zinc/06/28/84/420062884.db2.gz FLSDQUDABKOMEF-CQSZACIVSA-N 1 0 308.338 1.852 20 5 DDBDRO Cc1ccc(NC(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)cc1[N+](=O)[O-] ZINC000415557536 420110377 /nfs/dbraw/zinc/11/03/77/420110377.db2.gz JBVKZTCPKYLGBU-MNOVXSKESA-N 1 0 320.349 1.051 20 5 DDBDRO CN(CC(C)(C)C[NH3+])[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000430576670 420142420 /nfs/dbraw/zinc/14/24/20/420142420.db2.gz WKDJUPKJMWOIHB-CQSZACIVSA-N 1 0 320.393 1.617 20 5 DDBDRO Cc1c(CC(=O)N[C@@H]2C[NH2+]CCC2(F)F)cccc1[N+](=O)[O-] ZINC000423699986 420132769 /nfs/dbraw/zinc/13/27/69/420132769.db2.gz RLGUDMINSUWRSJ-GFCCVEGCSA-N 1 0 313.304 1.559 20 5 DDBDRO O=C(C[C@H]1COCC[NH2+]1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000423720551 420141094 /nfs/dbraw/zinc/14/10/94/420141094.db2.gz HMZXFOGENJWLPL-ZDUSSCGKSA-N 1 0 319.361 1.464 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@](C)(C[NH3+])C1CC1 ZINC000430570113 420141613 /nfs/dbraw/zinc/14/16/13/420141613.db2.gz IMHYFJYQEFFBEP-HNNXBMFYSA-N 1 0 306.366 1.559 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000415500930 420091781 /nfs/dbraw/zinc/09/17/81/420091781.db2.gz MDWOWMHVAFPSAP-ONGXEEELSA-N 1 0 308.338 1.723 20 5 DDBDRO COCC[C@@]1(C(=O)NCc2cccc([N+](=O)[O-])c2C)CC[NH2+]C1 ZINC000423810209 420197628 /nfs/dbraw/zinc/19/76/28/420197628.db2.gz NOUJGJNDBQWPFS-INIZCTEOSA-N 1 0 321.377 1.536 20 5 DDBDRO C[C@@H]1C[NH2+]C[C@H](C)N1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000420312126 420199190 /nfs/dbraw/zinc/19/91/90/420199190.db2.gz RRAFQVGDNWPBJU-TXEJJXNPSA-N 1 0 306.366 1.606 20 5 DDBDRO COc1ccc(NC(=O)CCN2CCC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000430922026 420206345 /nfs/dbraw/zinc/20/63/45/420206345.db2.gz WULQHASNFXOCSW-UHFFFAOYSA-N 1 0 322.365 1.227 20 5 DDBDRO CC1(C)CCC[NH2+][C@@H]1CNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000430589594 420149129 /nfs/dbraw/zinc/14/91/29/420149129.db2.gz INJCXSLGYPUNGG-GFCCVEGCSA-N 1 0 309.370 1.076 20 5 DDBDRO C[NH2+]C[C@H]1CCCN1CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000430587892 420149276 /nfs/dbraw/zinc/14/92/76/420149276.db2.gz BFNZWICEGSIFPC-LLVKDONJSA-N 1 0 322.365 1.226 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)c1 ZINC000423751224 420160838 /nfs/dbraw/zinc/16/08/38/420160838.db2.gz VQAODOVUQFPGNK-WDEREUQCSA-N 1 0 307.350 1.851 20 5 DDBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000420248996 420168147 /nfs/dbraw/zinc/16/81/47/420168147.db2.gz XAYVWFXGUGGCMK-WKEGUHRASA-N 1 0 306.149 1.894 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@H](C)[NH2+]C[C@@H]1C ZINC000420399304 420263430 /nfs/dbraw/zinc/26/34/30/420263430.db2.gz NTMNALRUJJQEFF-STQMWFEESA-N 1 0 320.393 1.914 20 5 DDBDRO Cc1c(NC(=O)[C@H](C)N2CC[NH2+][C@H](C)C2)cccc1[N+](=O)[O-] ZINC000420339941 420219907 /nfs/dbraw/zinc/21/99/07/420219907.db2.gz RPSWZPRFZQSXTR-PWSUYJOCSA-N 1 0 306.366 1.524 20 5 DDBDRO Cc1cc(S(=O)(=O)N[C@@H](CC[NH3+])C(F)F)ccc1[N+](=O)[O-] ZINC000420453287 420298248 /nfs/dbraw/zinc/29/82/48/420298248.db2.gz CWTVUZJLGINARY-VIFPVBQESA-N 1 0 323.321 1.164 20 5 DDBDRO Cc1cc(S(=O)(=O)N[C@H](CC[NH3+])C(F)F)ccc1[N+](=O)[O-] ZINC000420453285 420298768 /nfs/dbraw/zinc/29/87/68/420298768.db2.gz CWTVUZJLGINARY-SECBINFHSA-N 1 0 323.321 1.164 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[NH2+][C@@H](C)[C@@H]1C ZINC000436055359 420304346 /nfs/dbraw/zinc/30/43/46/420304346.db2.gz BDNUFQATLMOHKF-RYUDHWBXSA-N 1 0 306.366 1.524 20 5 DDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000416494277 420393426 /nfs/dbraw/zinc/39/34/26/420393426.db2.gz IFBPDHFAUPNDBA-LLVKDONJSA-N 1 0 313.379 1.133 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(C)(C)C[NH+](C)C ZINC000416505889 420400546 /nfs/dbraw/zinc/40/05/46/420400546.db2.gz CVOVBEJBRZCKOW-UHFFFAOYSA-N 1 0 315.395 1.522 20 5 DDBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CC[C@H](c3nnc[nH]3)C2)cc1 ZINC000425549783 420415412 /nfs/dbraw/zinc/41/54/12/420415412.db2.gz ODALTHWXPCWRDP-NSHDSACASA-N 1 0 303.322 1.581 20 5 DDBDRO C[NH+](C)CCS[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000446569214 230279410 /nfs/dbraw/zinc/27/94/10/230279410.db2.gz LFHHZJPESHMJBC-ZDUSSCGKSA-N 1 0 309.391 1.995 20 5 DDBDRO C[NH2+][C@H]1CCCN(C(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000417757632 420469476 /nfs/dbraw/zinc/46/94/76/420469476.db2.gz BKEKAYFUJHCNHV-ZDUSSCGKSA-N 1 0 306.366 1.531 20 5 DDBDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000417774545 420474952 /nfs/dbraw/zinc/47/49/52/420474952.db2.gz ZJBQHIRKLAUZQP-CHWSQXEVSA-N 1 0 306.366 1.706 20 5 DDBDRO C[C@@H]1C[C@H](NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000442132924 420671436 /nfs/dbraw/zinc/67/14/36/420671436.db2.gz QKSDANHFBDIYED-ZYHUDNBSSA-N 1 0 320.349 1.132 20 5 DDBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000442767504 420711593 /nfs/dbraw/zinc/71/15/93/420711593.db2.gz RASQXNCCOZMIMB-GRYCIOLGSA-N 1 0 306.366 1.591 20 5 DDBDRO COc1ccc(NC(=O)CN2C[C@@H](C[NH3+])C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000442794722 420716840 /nfs/dbraw/zinc/71/68/40/420716840.db2.gz UDNVQEPUVTXOJG-WDEREUQCSA-N 1 0 322.365 1.211 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1[C@H](C)C[NH2+]C[C@@H]1C ZINC000493533181 420875995 /nfs/dbraw/zinc/87/59/95/420875995.db2.gz WMXQAURSVGAHRZ-TXEJJXNPSA-N 1 0 306.366 1.524 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCN1CCCO ZINC000449385835 421002444 /nfs/dbraw/zinc/00/24/44/421002444.db2.gz GVKNBPFMVLSPEX-ZBFHGGJFSA-N 1 0 321.421 1.962 20 5 DDBDRO COC(=O)c1cnc(N2CC[N@H+](C)[C@@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000487136442 421006108 /nfs/dbraw/zinc/00/61/08/421006108.db2.gz KKKYPRGMXKMULN-CYBMUJFWSA-N 1 0 322.365 1.553 20 5 DDBDRO C[C@@H](CNC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1)[NH+](C)C ZINC000455422632 421010098 /nfs/dbraw/zinc/01/00/98/421010098.db2.gz ANUPZXOHVLMPIF-NSHDSACASA-N 1 0 322.365 1.449 20 5 DDBDRO CNc1nc(C(=O)N[C@@H](C)C[N@H+](C)C(C)C)ccc1[N+](=O)[O-] ZINC000456048701 421093948 /nfs/dbraw/zinc/09/39/48/421093948.db2.gz NAOZFZGZIOOYMD-JTQLQIEISA-N 1 0 309.370 1.490 20 5 DDBDRO COCC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCOC1 ZINC000490069519 421188435 /nfs/dbraw/zinc/18/84/35/421188435.db2.gz VBXFTKZJVPIDLB-AWEZNQCLSA-N 1 0 310.350 1.711 20 5 DDBDRO C[C@@H]1CC[N@H+](CCNC(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000524776429 421271611 /nfs/dbraw/zinc/27/16/11/421271611.db2.gz DZSBPPOVUJPDPN-GFCCVEGCSA-N 1 0 307.350 1.432 20 5 DDBDRO CN1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC000548084529 421398717 /nfs/dbraw/zinc/39/87/17/421398717.db2.gz FTZUTAPNNSWFHF-CYBMUJFWSA-N 1 0 315.333 1.447 20 5 DDBDRO [NH3+][C@H]1CCC[C@H](CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000562980058 421434252 /nfs/dbraw/zinc/43/42/52/421434252.db2.gz HPPNRWAUYADTIM-UWVGGRQHSA-N 1 0 321.333 1.571 20 5 DDBDRO CC(=O)N1CC[C@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000515415901 421500877 /nfs/dbraw/zinc/50/08/77/421500877.db2.gz XQPIMSFEBNXDSF-LBPRGKRZSA-N 1 0 320.349 1.134 20 5 DDBDRO CNc1ccc(C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000531482991 421635439 /nfs/dbraw/zinc/63/54/39/421635439.db2.gz JXPUARZCZCYKNO-ZYHUDNBSSA-N 1 0 318.377 1.992 20 5 DDBDRO C[NH+]1CCC([C@@H]2CCN(C(=O)c3c[nH]nc3[N+](=O)[O-])C2)CC1 ZINC000554876208 421664668 /nfs/dbraw/zinc/66/46/68/421664668.db2.gz DXQOHMQBZSWOKY-LLVKDONJSA-N 1 0 307.354 1.122 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)c1 ZINC000571552007 421725337 /nfs/dbraw/zinc/72/53/37/421725337.db2.gz MNJPDDRVAZSTQK-IMJJTQAJSA-N 1 0 316.361 1.546 20 5 DDBDRO CN(C(=O)NCCOc1ccc([N+](=O)[O-])cc1)C1CC[NH2+]CC1 ZINC000557144954 421761822 /nfs/dbraw/zinc/76/18/22/421761822.db2.gz YKTPDTYQNZERBO-UHFFFAOYSA-N 1 0 322.365 1.367 20 5 DDBDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000540932518 421777348 /nfs/dbraw/zinc/77/73/48/421777348.db2.gz CPYOISRWWXLIBB-LLVKDONJSA-N 1 0 307.350 1.761 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC000572425040 421787256 /nfs/dbraw/zinc/78/72/56/421787256.db2.gz GLWAAVQQFGRMAY-NSHDSACASA-N 1 0 307.350 1.675 20 5 DDBDRO CC1(C)[NH2+]CC[C@@H]1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000581052534 421887918 /nfs/dbraw/zinc/88/79/18/421887918.db2.gz WVAUACMRXZKQQJ-LBPRGKRZSA-N 1 0 307.306 1.194 20 5 DDBDRO O=c1onc(-c2cccc([N+](=O)[O-])c2)n1CC1CC[NH2+]CC1 ZINC000572998677 421894407 /nfs/dbraw/zinc/89/44/07/421894407.db2.gz KXGQHPKTZGPNRN-UHFFFAOYSA-N 1 0 304.306 1.411 20 5 DDBDRO COc1ccc(CC(=O)N(C)C2(C[NH3+])CCC2)cc1[N+](=O)[O-] ZINC000573437852 421963164 /nfs/dbraw/zinc/96/31/64/421963164.db2.gz NXKNUYIRTLHBTM-UHFFFAOYSA-N 1 0 307.350 1.486 20 5 DDBDRO Cc1cc(OCC(=O)NC[C@H]2CCC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000582218201 422130287 /nfs/dbraw/zinc/13/02/87/422130287.db2.gz HRTDYUAZAPNKJI-CYBMUJFWSA-N 1 0 321.377 1.740 20 5 DDBDRO O=C(CN1CC[C@]2(C1)CCC[NH2+]C2)Nc1ccccc1[N+](=O)[O-] ZINC000575059836 422247749 /nfs/dbraw/zinc/24/77/49/422247749.db2.gz LOLAXHVNHFOVBK-MRXNPFEDSA-N 1 0 318.377 1.609 20 5 DDBDRO C[NH+](C)CCN(C1CC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000575059213 422247851 /nfs/dbraw/zinc/24/78/51/422247851.db2.gz LGVZOUSVECGBBL-UHFFFAOYSA-N 1 0 313.379 1.310 20 5 DDBDRO O=C(CC[NH2+]CC[C@H]1CCOC1)Nc1ccccc1[N+](=O)[O-] ZINC000575258601 422281826 /nfs/dbraw/zinc/28/18/26/422281826.db2.gz MQMIDDWWZTVMHS-LBPRGKRZSA-N 1 0 307.350 1.940 20 5 DDBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2ccnc(NC)c2[N+](=O)[O-])C[C@H]1C ZINC000584788290 422301455 /nfs/dbraw/zinc/30/14/55/422301455.db2.gz KNBGKSYFTYFFLN-GHMZBOCLSA-N 1 0 321.381 1.586 20 5 DDBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000575933691 422350278 /nfs/dbraw/zinc/35/02/78/422350278.db2.gz SJKRPOPHRIBXLV-QWRGUYRKSA-N 1 0 319.365 1.271 20 5 DDBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000575933689 422350984 /nfs/dbraw/zinc/35/09/84/422350984.db2.gz SJKRPOPHRIBXLV-GHMZBOCLSA-N 1 0 319.365 1.271 20 5 DDBDRO CCC(CC)[C@@H](CNc1ccc2ncc([N+](=O)[O-])n2n1)[NH+](C)C ZINC000596072217 422362676 /nfs/dbraw/zinc/36/26/76/422362676.db2.gz ZXVGZQGABDOBDZ-GFCCVEGCSA-N 1 0 320.397 2.416 20 5 DDBDRO O=c1[nH]c(N[C@H]2CC[N@@H+](C3CC3)C2)nc2ccc([N+](=O)[O-])cc21 ZINC000596092997 422364902 /nfs/dbraw/zinc/36/49/02/422364902.db2.gz YXRZSGMNQMAJQN-VIFPVBQESA-N 1 0 315.333 1.892 20 5 DDBDRO COc1ccc(CC(=O)N2CC[C@H]([NH3+])C[C@@H]2C)cc1[N+](=O)[O-] ZINC000577861556 422444355 /nfs/dbraw/zinc/44/43/55/422444355.db2.gz FGSCWLNBHMETGT-JQWIXIFHSA-N 1 0 307.350 1.484 20 5 DDBDRO C[C@@H]1CCC[C@H](C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H]1C ZINC000578007165 422475222 /nfs/dbraw/zinc/47/52/22/422475222.db2.gz BQIVVCNEMAENCK-COMQUAJESA-N 1 0 310.398 1.814 20 5 DDBDRO CC1(C)CC[N@H+](CC(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)C1 ZINC000578204241 422522056 /nfs/dbraw/zinc/52/20/56/422522056.db2.gz LZHGUAFGCBSJOE-UHFFFAOYSA-N 1 0 318.377 1.606 20 5 DDBDRO CCOC[C@@H](O)C[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000578351166 422552733 /nfs/dbraw/zinc/55/27/33/422552733.db2.gz JVFRIXKZVYJGGY-ZDUSSCGKSA-N 1 0 307.350 1.606 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@H](O)[C@H]1CCOC1)CCC2 ZINC000578721514 422628645 /nfs/dbraw/zinc/62/86/45/422628645.db2.gz QQRDIMCGUFJWGS-APHBMKBZSA-N 1 0 306.362 1.959 20 5 DDBDRO [NH3+]C1(CN[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CCC1 ZINC000342109305 271300067 /nfs/dbraw/zinc/30/00/67/271300067.db2.gz RFTCFWLYGXBMEJ-ZDUSSCGKSA-N 1 0 304.350 1.171 20 5 DDBDRO Nc1c(C(=O)NCC2CCC(C[NH3+])CC2)cc(F)cc1[N+](=O)[O-] ZINC000343606374 271813891 /nfs/dbraw/zinc/81/38/91/271813891.db2.gz UGZFNFDSQWZXTR-UHFFFAOYSA-N 1 0 324.356 1.811 20 5 DDBDRO COc1cc[nH+]c(N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1 ZINC000344416433 272020559 /nfs/dbraw/zinc/02/05/59/272020559.db2.gz JDUIEMXHJMCIOQ-UHFFFAOYSA-N 1 0 315.333 1.720 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000344645715 272079099 /nfs/dbraw/zinc/07/90/99/272079099.db2.gz PUIDMORIXLKRFZ-NSHDSACASA-N 1 0 309.370 1.179 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c1 ZINC000302857884 274004624 /nfs/dbraw/zinc/00/46/24/274004624.db2.gz MVGUDDQEOAMMLN-TXEJJXNPSA-N 1 0 305.334 1.379 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@@H](C)[NH+](C)[C@H](C)C2)c1 ZINC000319220562 274004766 /nfs/dbraw/zinc/00/47/66/274004766.db2.gz NDNSFPZDBWAYFL-GHMZBOCLSA-N 1 0 307.350 1.910 20 5 DDBDRO C[C@@H]1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)[C@@H](C[NH3+])C1 ZINC000261729548 274299956 /nfs/dbraw/zinc/29/99/56/274299956.db2.gz HOENHBNUUQHUBQ-MWLCHTKSSA-N 1 0 317.349 1.671 20 5 DDBDRO C[N@@H+]1CCC[C@]2(CCN(c3nccc(C(N)=O)c3[N+](=O)[O-])C2)C1 ZINC000292707584 277087617 /nfs/dbraw/zinc/08/76/17/277087617.db2.gz GNGHZQNMWICZQI-HNNXBMFYSA-N 1 0 319.365 1.011 20 5 DDBDRO C[C@@H](CCS(C)(=O)=O)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449188254 278235284 /nfs/dbraw/zinc/23/52/84/278235284.db2.gz JYILPXNYUXZXCS-RYUDHWBXSA-N 1 0 314.407 1.939 20 5 DDBDRO CCOc1ccc(C(=O)NCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000073002190 280944365 /nfs/dbraw/zinc/94/43/65/280944365.db2.gz VWWFCAYNUOOFOU-UHFFFAOYSA-N 1 0 307.350 1.819 20 5 DDBDRO [NH3+]C1CCC(NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000130943281 281399522 /nfs/dbraw/zinc/39/95/22/281399522.db2.gz RKCSFVACTFMVMH-UHFFFAOYSA-N 1 0 313.379 1.284 20 5 DDBDRO C[C@@H](c1cccs1)[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000246705819 282008158 /nfs/dbraw/zinc/00/81/58/282008158.db2.gz JXKPKNZWVOZHHW-CMPLNLGQSA-N 1 0 310.379 1.907 20 5 DDBDRO C[N@@H+]1CCO[C@H]2CCN(c3c4c(ccc3[N+](=O)[O-])NCC4)C[C@H]21 ZINC000408026839 290114726 /nfs/dbraw/zinc/11/47/26/290114726.db2.gz JJAOSVJPLOKGTO-CABCVRRESA-N 1 0 318.377 1.472 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000246850784 293395676 /nfs/dbraw/zinc/39/56/76/293395676.db2.gz FHQKHSPZYMQJET-YPMHNXCESA-N 1 0 323.397 1.335 20 5 DDBDRO COc1ccc(C(=O)N(C2CC2)[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000435235855 295079549 /nfs/dbraw/zinc/07/95/49/295079549.db2.gz GGRQODJIKHHMJB-LBPRGKRZSA-N 1 0 305.334 1.570 20 5 DDBDRO C[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H]1CCOC1 ZINC000162806025 298202968 /nfs/dbraw/zinc/20/29/68/298202968.db2.gz NYZFSLQGPUCOSN-NEPJUHHUSA-N 1 0 307.350 1.938 20 5 DDBDRO C[N@@H+]1CC[C@@H](CNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000354241687 298379063 /nfs/dbraw/zinc/37/90/63/298379063.db2.gz XQQNJUGCVINPGO-LBPRGKRZSA-N 1 0 316.361 1.617 20 5 DDBDRO O=[N+]([O-])c1cccc(OCCN2CCN([C@@H]3CCOC3)CC2)c1 ZINC000362222652 300031458 /nfs/dbraw/zinc/03/14/58/300031458.db2.gz ZWISPTSJRFWBMY-OAHLLOKOSA-N 1 0 321.377 1.380 20 5 DDBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3cccc([N+](=O)[O-])c3N)C[C@H]21 ZINC000362290458 300045091 /nfs/dbraw/zinc/04/50/91/300045091.db2.gz RVCCBSIBDURWLK-GXFFZTMASA-N 1 0 304.350 1.343 20 5 DDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000363265559 300242021 /nfs/dbraw/zinc/24/20/21/300242021.db2.gz FYFAKBOAEKPFSW-HUUCEWRRSA-N 1 0 319.361 1.117 20 5 DDBDRO COc1ccc(C(=O)N2CC[C@@]3(CCC[C@H]3[NH3+])C2)cc1[N+](=O)[O-] ZINC000364256166 300363704 /nfs/dbraw/zinc/36/37/04/300363704.db2.gz KMGKSDUNTDPLNB-ZBFHGGJFSA-N 1 0 319.361 1.947 20 5 DDBDRO Nc1ccc(C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1[N+](=O)[O-] ZINC000364746165 300439750 /nfs/dbraw/zinc/43/97/50/300439750.db2.gz LPUKFRUOBLVWTQ-JSGCOSHPSA-N 1 0 318.377 1.781 20 5 DDBDRO Nc1ccc([N+](=O)[O-])c(N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c1 ZINC000367164320 300807586 /nfs/dbraw/zinc/80/75/86/300807586.db2.gz HSRWXJGJWICYJI-ZFWWWQNUSA-N 1 0 306.366 1.212 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000368006494 300931851 /nfs/dbraw/zinc/93/18/51/300931851.db2.gz MYNOYBMFEANBLR-HNNXBMFYSA-N 1 0 304.350 1.514 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3CC[N@H+](C)[C@H]3C2)c1 ZINC000368590608 301060118 /nfs/dbraw/zinc/06/01/18/301060118.db2.gz KZNRBRWFFIZYPJ-NHYWBVRUSA-N 1 0 319.361 1.770 20 5 DDBDRO C[C@@H]1C[C@H](NC(=O)[C@H]2C[C@H]2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000370215044 301295823 /nfs/dbraw/zinc/29/58/23/301295823.db2.gz JIUGHIHINDJBTI-DMRZNYOFSA-N 1 0 317.389 1.821 20 5 DDBDRO O=C(Cc1ccccc1[N+](=O)[O-])N(C1CC1)C1CC[NH2+]CC1 ZINC000370790094 301393084 /nfs/dbraw/zinc/39/30/84/301393084.db2.gz YVJBCSRJBNIXOF-UHFFFAOYSA-N 1 0 303.362 1.880 20 5 DDBDRO COc1cc(C[NH2+][C@@H]2CCc3c[nH]nc3C2)c([N+](=O)[O-])cc1O ZINC000376196745 302049136 /nfs/dbraw/zinc/04/91/36/302049136.db2.gz OYZWCNZACRZEHG-LLVKDONJSA-N 1 0 318.333 1.679 20 5 DDBDRO CN(c1ncc([N+](=O)[O-])cn1)C1CC[NH+](C2CCOCC2)CC1 ZINC000376924253 302121393 /nfs/dbraw/zinc/12/13/93/302121393.db2.gz GIQICQRIMVDEIH-UHFFFAOYSA-N 1 0 321.381 1.464 20 5 DDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000377481813 302183948 /nfs/dbraw/zinc/18/39/48/302183948.db2.gz OPIPQXOXQITNGV-GJZGRUSLSA-N 1 0 319.361 1.117 20 5 DDBDRO O=C(Cc1ccccc1[N+](=O)[O-])Nc1cnc2c(c1)C[NH2+]CC2 ZINC000378405580 302322653 /nfs/dbraw/zinc/32/26/53/302322653.db2.gz QXMGJSHOUZRJIK-UHFFFAOYSA-N 1 0 312.329 1.817 20 5 DDBDRO C[C@@H]1C[C@H](C)N(C(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@H]1C[NH3+] ZINC000397228017 302352770 /nfs/dbraw/zinc/35/27/70/302352770.db2.gz DBIZOTNXYXJCCR-MBNYWOFBSA-N 1 0 305.378 1.969 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[NH2+][C@@H](C)C1 ZINC000420340918 302383322 /nfs/dbraw/zinc/38/33/22/302383322.db2.gz TXESQGRGTUGGEJ-LBPRGKRZSA-N 1 0 306.366 1.526 20 5 DDBDRO C[NH2+]C[C@H](C)CNc1ccc([N+](=O)[O-])cc1N1CCOC1=O ZINC000496997205 302656523 /nfs/dbraw/zinc/65/65/23/302656523.db2.gz ADMUQBJMWQQRRK-JTQLQIEISA-N 1 0 308.338 1.819 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(C[NH2+]C)cc2)n1 ZINC000521438207 302874423 /nfs/dbraw/zinc/87/44/23/302874423.db2.gz WKXIPADKSRRDNI-UHFFFAOYSA-N 1 0 303.322 1.783 20 5 DDBDRO COC[C@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000542523933 303440769 /nfs/dbraw/zinc/44/07/69/303440769.db2.gz BYDHNXMILVWDCG-AWEZNQCLSA-N 1 0 309.366 1.818 20 5 DDBDRO COc1ccc(CNC(=O)[C@H]2CC[NH2+][C@H](C)C2)cc1[N+](=O)[O-] ZINC000358676694 306947600 /nfs/dbraw/zinc/94/76/00/306947600.db2.gz FEJWMQVXCGLVPD-PWSUYJOCSA-N 1 0 307.350 1.608 20 5 DDBDRO Cc1cc(N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)ncc1[N+](=O)[O-] ZINC000361830406 307008245 /nfs/dbraw/zinc/00/82/45/307008245.db2.gz MHPPHEZUMKBNGB-OCCSQVGLSA-N 1 0 306.366 1.334 20 5 DDBDRO COC(=O)[C@@H]1C[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000366655087 307078721 /nfs/dbraw/zinc/07/87/21/307078721.db2.gz PPHGCWNJCJYTCS-UONOGXRCSA-N 1 0 322.361 1.759 20 5 DDBDRO C[C@]1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[N@H+](Cc2ccccc2)C1 ZINC000374279335 307204946 /nfs/dbraw/zinc/20/49/46/307204946.db2.gz VGJHKYJTWGZXBS-BFYDXBDKSA-N 1 0 317.389 1.680 20 5 DDBDRO O=c1onc(-c2cccc([N+](=O)[O-])c2)n1CC[C@@H]1CC[NH2+]C1 ZINC000515381080 307403707 /nfs/dbraw/zinc/40/37/07/307403707.db2.gz SXEGWSRCEPSPAN-JTQLQIEISA-N 1 0 304.306 1.411 20 5 DDBDRO COc1ccc(OCC[NH2+][C@@H]2C[C@@H](O)C2(C)C)c([N+](=O)[O-])c1 ZINC000515495043 307405422 /nfs/dbraw/zinc/40/54/22/307405422.db2.gz CSSQZVSVGCQBIE-ZIAGYGMSSA-N 1 0 310.350 1.731 20 5 DDBDRO O=[N+]([O-])c1ccc(OCC[NH2+]Cc2c[nH]c3nccnc23)cc1 ZINC000564529058 307999661 /nfs/dbraw/zinc/99/96/61/307999661.db2.gz OOFIFSTULJZAAM-UHFFFAOYSA-N 1 0 313.317 1.986 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CCN1CCC(=O)CC12CCC2 ZINC000565170190 308022765 /nfs/dbraw/zinc/02/27/65/308022765.db2.gz JRCQRLQXHHNQKB-UHFFFAOYSA-N 1 0 305.334 1.344 20 5 DDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@H]2CC[C@@H](F)C2)cc1 ZINC000566131428 308045711 /nfs/dbraw/zinc/04/57/11/308045711.db2.gz ZBFXMEYRPUUXND-MNOVXSKESA-N 1 0 316.354 1.849 20 5 DDBDRO C[C@H]1COCCN1CC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000566571515 308057818 /nfs/dbraw/zinc/05/78/18/308057818.db2.gz DJCNXRKWUOOYRW-WFASDCNBSA-N 1 0 305.378 1.892 20 5 DDBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000566795043 308063727 /nfs/dbraw/zinc/06/37/27/308063727.db2.gz IWNPKSOECWDOJY-RKDXNWHRSA-N 1 0 320.353 1.396 20 5 DDBDRO C[N@@H+]1CC[C@](O)(CNc2nc3c(cc2[N+](=O)[O-])CCCC3)C1 ZINC000567607891 308086770 /nfs/dbraw/zinc/08/67/70/308086770.db2.gz IHXIBKHIUSHURJ-HNNXBMFYSA-N 1 0 306.366 1.347 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)Nc2cccc3c2CC[NH2+]C3)n1 ZINC000574311834 308267068 /nfs/dbraw/zinc/26/70/68/308267068.db2.gz GKHBVZAHOJTXDW-UHFFFAOYSA-N 1 0 315.333 1.709 20 5 DDBDRO O=C1NCC[C@@H]1CC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000575192655 308273348 /nfs/dbraw/zinc/27/33/48/308273348.db2.gz JMIKJCRHCFVURF-VXGBXAGGSA-N 1 0 319.365 1.002 20 5 DDBDRO CCCN(C(=O)c1cccc(OC)c1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000576576608 308324257 /nfs/dbraw/zinc/32/42/57/308324257.db2.gz GDXDMSSINXGZIC-LLVKDONJSA-N 1 0 307.350 1.818 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@H]2CC[C@H](O)CC2)c1 ZINC000579703960 308551558 /nfs/dbraw/zinc/55/15/58/308551558.db2.gz NXIIOCVVMZVTKG-MRVWCRGKSA-N 1 0 310.350 1.228 20 5 DDBDRO O=c1c([N+](=O)[O-])cc(Br)cn1CC[C@@H]1CC[NH2+]C1 ZINC000582060789 325962413 /nfs/dbraw/zinc/96/24/13/325962413.db2.gz FIEXBMPBYAJLPC-QMMMGPOBSA-N 1 0 316.155 1.519 20 5 DDBDRO CC[NH2+]CCCNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000036299403 337352783 /nfs/dbraw/zinc/35/27/83/337352783.db2.gz LLEQYLGRLLXWDY-UHFFFAOYSA-N 1 0 321.786 1.526 20 5 DDBDRO CC(C)(O)C[NH+]1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000390868473 483981960 /nfs/dbraw/zinc/98/19/60/483981960.db2.gz OUOWJOLOQBBAND-UHFFFAOYSA-N 1 0 319.365 1.364 20 5 DDBDRO C[C@H]([NH2+]CC(=O)NC[C@@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000299612907 533824071 /nfs/dbraw/zinc/82/40/71/533824071.db2.gz JAHNIGNPMMQGTP-FZMZJTMJSA-N 1 0 307.350 1.541 20 5 DDBDRO C[C@@H]1CCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@@H](C[NH3+])C1 ZINC000420345041 534023387 /nfs/dbraw/zinc/02/33/87/534023387.db2.gz UXULVNDICOOUHX-IUODEOHRSA-N 1 0 320.393 1.617 20 5 DDBDRO COc1ccc(NC(=O)C[NH2+][C@H]2COCC2(C)C)c([N+](=O)[O-])c1 ZINC000451814266 534081818 /nfs/dbraw/zinc/08/18/18/534081818.db2.gz WWIRDDFPHAYUKQ-ZDUSSCGKSA-N 1 0 323.349 1.557 20 5 DDBDRO C[C@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000443349073 534107264 /nfs/dbraw/zinc/10/72/64/534107264.db2.gz SYPVCIUBNNRCJE-DYEKYZERSA-N 1 0 309.366 1.238 20 5 DDBDRO C[C@@H]1OCC[C@@]1(C)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000494278135 534188025 /nfs/dbraw/zinc/18/80/25/534188025.db2.gz XICHJSFOEDTGIL-CORIIIEPSA-N 1 0 310.350 1.492 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@@H]3CC[N@@H+](C)C[C@H]32)c1 ZINC000332336397 534316649 /nfs/dbraw/zinc/31/66/49/534316649.db2.gz VYAMZIJWPVXMIO-HUUCEWRRSA-N 1 0 319.361 1.448 20 5 DDBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)NCC[C@H]1CC[NH2+]C1 ZINC000417226070 534462175 /nfs/dbraw/zinc/46/21/75/534462175.db2.gz KFMQQZJSOUOGCK-CYBMUJFWSA-N 1 0 306.366 1.436 20 5 DDBDRO [NH3+]C1CCN(Cc2nc(-c3cc([N+](=O)[O-])c[nH]3)cs2)CC1 ZINC000434659663 534568060 /nfs/dbraw/zinc/56/80/60/534568060.db2.gz SSCBZSFONYRLBK-UHFFFAOYSA-N 1 0 307.379 1.970 20 5 DDBDRO [NH3+]C[C@H]1CCCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000457368472 534689040 /nfs/dbraw/zinc/68/90/40/534689040.db2.gz ZGMBWNZSNKNKBW-SNVBAGLBSA-N 1 0 302.334 1.887 20 5 DDBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c(NC)n1 ZINC000456073876 527988889 /nfs/dbraw/zinc/98/88/89/527988889.db2.gz WROIMGZXRBGFMR-LLVKDONJSA-N 1 0 323.397 1.882 20 5 DDBDRO CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CCC(=O)OC ZINC000411222974 528400884 /nfs/dbraw/zinc/40/08/84/528400884.db2.gz OMFSVJKRAKAZBB-UHFFFAOYSA-N 1 0 323.349 1.808 20 5 DDBDRO CC[NH+](CC)C[C@@H](C)Nc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC000821182027 606702501 /nfs/dbraw/zinc/70/25/01/606702501.db2.gz RVPHPWZYNCENQC-SECBINFHSA-N 1 0 320.357 1.312 20 5 DDBDRO C[C@@H]1CCC[N@@H+]1CCNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC000820717102 606713328 /nfs/dbraw/zinc/71/33/28/606713328.db2.gz NWDGKZDQGZWYJG-SECBINFHSA-N 1 0 318.341 1.066 20 5 DDBDRO Cc1ccc(C[NH2+]CC2CCS(=O)(=O)CC2)cc1[N+](=O)[O-] ZINC000120938856 696703877 /nfs/dbraw/zinc/70/38/77/696703877.db2.gz MBLOSFZRNVROHQ-UHFFFAOYSA-N 1 0 312.391 1.818 20 5 DDBDRO COC(=O)c1cc(NC(=O)C2([NH+](C)C)CCC2)cc([N+](=O)[O-])c1 ZINC000119967062 696688281 /nfs/dbraw/zinc/68/82/81/696688281.db2.gz HSXFMCOLTDJNAC-UHFFFAOYSA-N 1 0 321.333 1.804 20 5 DDBDRO O=C1C[C@H]2CC[C@@H](CN1)N2Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000748263225 700108599 /nfs/dbraw/zinc/10/85/99/700108599.db2.gz KHOXVWSNFLWAKZ-YPMHNXCESA-N 1 0 315.333 1.255 20 5 DDBDRO C[NH+](C)[C@@H]1CCCN(Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000152315018 696897841 /nfs/dbraw/zinc/89/78/41/696897841.db2.gz DRHKGALEROEWJM-CQSZACIVSA-N 1 0 303.366 1.928 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000155722049 696952659 /nfs/dbraw/zinc/95/26/59/696952659.db2.gz ANFFJIIJRUPJKH-CQSZACIVSA-N 1 0 306.366 1.936 20 5 DDBDRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)C1CC1 ZINC000982970321 697196893 /nfs/dbraw/zinc/19/68/93/697196893.db2.gz RUUIMRZISAUDKQ-MQMHXKEQSA-N 1 0 303.362 1.989 20 5 DDBDRO C[C@H](C[S@@](C)=O)N(C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000767845773 701140468 /nfs/dbraw/zinc/14/04/68/701140468.db2.gz YKKIIYRLIWBMAT-LITPITGPSA-N 1 0 300.380 1.327 20 5 DDBDRO C[N@H+](CC1CCCC1)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000985424726 697508547 /nfs/dbraw/zinc/50/85/47/697508547.db2.gz AATNGWSJBUOAKN-HUUCEWRRSA-N 1 0 309.410 1.765 20 5 DDBDRO [NH3+]C1CCC(NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000237811047 697813109 /nfs/dbraw/zinc/81/31/09/697813109.db2.gz XQICUVUYDGAJFA-UHFFFAOYSA-N 1 0 303.322 1.471 20 5 DDBDRO C[C@H]1CCCN(CC[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776278233 698091646 /nfs/dbraw/zinc/09/16/46/698091646.db2.gz SMJWRJHCEFZQDU-XJKSGUPXSA-N 1 0 307.394 1.950 20 5 DDBDRO O=C1CC2(CN1)CC[NH+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000776589194 698123047 /nfs/dbraw/zinc/12/30/47/698123047.db2.gz QASLLYROGGUDRN-AWEZNQCLSA-N 1 0 319.361 1.230 20 5 DDBDRO Cc1nn(CN2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c(C)c1[N+](=O)[O-] ZINC000247049859 698360264 /nfs/dbraw/zinc/36/02/64/698360264.db2.gz UDZUMXOGBZWUGH-ZIAGYGMSSA-N 1 0 307.398 1.782 20 5 DDBDRO O=[N+]([O-])c1ccc(Cl)cc1CN1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262414062 698468597 /nfs/dbraw/zinc/46/85/97/698468597.db2.gz DKEACYLNWJADAP-CQSZACIVSA-N 1 0 324.812 1.728 20 5 DDBDRO O=[N+]([O-])c1ccc(Cl)cc1CN1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000262567841 698475595 /nfs/dbraw/zinc/47/55/95/698475595.db2.gz XASWCGKFUPTERQ-CQSZACIVSA-N 1 0 324.812 1.728 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H](CO)C2CCOCC2)cc1 ZINC000782530373 698734965 /nfs/dbraw/zinc/73/49/65/698734965.db2.gz UWXWQKMJOIAMAU-HUUCEWRRSA-N 1 0 310.350 1.005 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@@H](O)c1ccco1 ZINC000783910600 698891355 /nfs/dbraw/zinc/89/13/55/698891355.db2.gz WFUMKVQBGDWYTD-DGCLKSJQSA-N 1 0 322.317 1.251 20 5 DDBDRO CNc1c(C(=O)NCC[N@@H+]2CCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000783913973 698891622 /nfs/dbraw/zinc/89/16/22/698891622.db2.gz FHEWKSDZIQPGPM-NSHDSACASA-N 1 0 306.366 1.851 20 5 DDBDRO Nc1c(F)c(NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)ccc1[N+](=O)[O-] ZINC000785801482 699102639 /nfs/dbraw/zinc/10/26/39/699102639.db2.gz RENPUGLXZAKPHK-NXEZZACHSA-N 1 0 310.329 1.591 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000424023318 699147126 /nfs/dbraw/zinc/14/71/26/699147126.db2.gz FOOYOLGDJSIKIH-HNNXBMFYSA-N 1 0 305.334 1.328 20 5 DDBDRO O=C(CCn1cc([N+](=O)[O-])cn1)O[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000788114516 699280044 /nfs/dbraw/zinc/28/00/44/699280044.db2.gz FCOOEUVZPJXXTJ-AAEUAGOBSA-N 1 0 308.338 1.351 20 5 DDBDRO COCCN1CCC([NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000788563811 699324303 /nfs/dbraw/zinc/32/43/03/699324303.db2.gz NWJPDLPOPIKBCY-LBPRGKRZSA-N 1 0 322.409 1.938 20 5 DDBDRO C[NH+](C)CCCOC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000791885875 699660670 /nfs/dbraw/zinc/66/06/70/699660670.db2.gz WCRHTTHKQLKTFU-UHFFFAOYSA-N 1 0 319.321 1.284 20 5 DDBDRO C[NH+]1CCC2(CCN2C(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000742184267 699863698 /nfs/dbraw/zinc/86/36/98/699863698.db2.gz PPWXOHCIERNZLJ-UHFFFAOYSA-N 1 0 319.361 1.670 20 5 DDBDRO CC(C)([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC1 ZINC000796583622 699940924 /nfs/dbraw/zinc/94/09/24/699940924.db2.gz GBSZSCBKEDUSJH-CQSZACIVSA-N 1 0 321.377 1.619 20 5 DDBDRO C[N@H+](CCCN1CCOC1=O)CCc1cccc([N+](=O)[O-])c1 ZINC000801600314 700326519 /nfs/dbraw/zinc/32/65/19/700326519.db2.gz OAVAIUCYGGNCBP-UHFFFAOYSA-N 1 0 307.350 1.911 20 5 DDBDRO O=C(OCCn1cc([N+](=O)[O-])cn1)C1CC[NH+](C2CC2)CC1 ZINC000801872680 700348976 /nfs/dbraw/zinc/34/89/76/700348976.db2.gz BSCMGWURABBXJC-UHFFFAOYSA-N 1 0 308.338 1.209 20 5 DDBDRO CC1=CC[N@H+](CCNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1 ZINC000801950082 700359834 /nfs/dbraw/zinc/35/98/34/700359834.db2.gz SMRNFFRMXUMSBU-UHFFFAOYSA-N 1 0 322.340 1.698 20 5 DDBDRO C/C(=C/C(=O)NCCOCC[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000752756952 700385575 /nfs/dbraw/zinc/38/55/75/700385575.db2.gz ZBRFHJARVAHHEX-SEYXRHQNSA-N 1 0 321.377 1.693 20 5 DDBDRO C[NH+](C)CCSCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000755625919 700573719 /nfs/dbraw/zinc/57/37/19/700573719.db2.gz IBLTVBIFXLGUOG-UHFFFAOYSA-N 1 0 301.343 1.967 20 5 DDBDRO Cc1nn(C[N@@H+]2CC[C@]3(CCOC3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000756861339 700646175 /nfs/dbraw/zinc/64/61/75/700646175.db2.gz CDYMXTXKMQGXLA-HNNXBMFYSA-N 1 0 317.349 1.718 20 5 DDBDRO Cc1c(NC(=O)[C@@H](C)N2CC[N@H+](C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000761076320 700840455 /nfs/dbraw/zinc/84/04/55/700840455.db2.gz NRRLOSOLCXRHFT-WCQYABFASA-N 1 0 320.393 1.866 20 5 DDBDRO C[C@H]1CN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC[N@@H+]1C ZINC000761080659 700841261 /nfs/dbraw/zinc/84/12/61/700841261.db2.gz VBJCBSXPSPIZPJ-NSHDSACASA-N 1 0 317.349 1.781 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](CCO)C1CC1 ZINC000763066966 700923765 /nfs/dbraw/zinc/92/37/65/700923765.db2.gz HZSWNOGATXNPCK-HNNXBMFYSA-N 1 0 321.377 1.982 20 5 DDBDRO C[C@H](CC(N)=O)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000763396734 700936645 /nfs/dbraw/zinc/93/66/45/700936645.db2.gz DXHVWJPBUGHCJX-LLVKDONJSA-N 1 0 306.366 1.417 20 5 DDBDRO CC[NH+](CC)CCS(=O)(=O)Oc1cccc(C)c1[N+](=O)[O-] ZINC000810058468 701717891 /nfs/dbraw/zinc/71/78/91/701717891.db2.gz RUGUWQRDFAGHHS-UHFFFAOYSA-N 1 0 316.379 1.954 20 5 DDBDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000839682855 701782417 /nfs/dbraw/zinc/78/24/17/701782417.db2.gz ANUWQWHOPWDAFT-GBJTYRQASA-N 1 0 309.410 1.765 20 5 DDBDRO C[N@H+](Cc1ccccc1)[C@H](CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC1 ZINC000839728002 701799859 /nfs/dbraw/zinc/79/98/59/701799859.db2.gz GPRRFFZZKPYYDM-BZUAXINKSA-N 1 0 317.389 1.678 20 5 DDBDRO COCC1(C(=O)NCc2ccc(C)c([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000867996172 701879583 /nfs/dbraw/zinc/87/95/83/701879583.db2.gz SIBLHRUOWBSAGM-UHFFFAOYSA-N 1 0 321.377 1.536 20 5 DDBDRO C[C@H]([NH2+]C[C@H](CO)c1cccnc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815626422 701905206 /nfs/dbraw/zinc/90/52/06/701905206.db2.gz CUGIMMDTAPVTRS-SMDDNHRTSA-N 1 0 316.361 1.999 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(c3ccc4ncc([N+](=O)[O-])n4n3)CC[C@@H]21 ZINC000866205261 706647998 /nfs/dbraw/zinc/64/79/98/706647998.db2.gz KSZXBAMMVLAMDL-MNOVXSKESA-N 1 0 302.338 1.168 20 5 DDBDRO CO[C@@H]1CC[C@H](C)[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000879320872 706648723 /nfs/dbraw/zinc/64/87/23/706648723.db2.gz JSHBEQYEORECAY-MELADBBJSA-N 1 0 324.377 1.834 20 5 DDBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H](C)Cn1cncn1 ZINC000866249477 706657762 /nfs/dbraw/zinc/65/77/62/706657762.db2.gz KGGMYRWRMIVNHC-QWRGUYRKSA-N 1 0 307.329 1.935 20 5 DDBDRO [NH3+][C@H](CC(F)F)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000831217766 706660102 /nfs/dbraw/zinc/66/01/02/706660102.db2.gz JZMRBXODRVRBGL-SECBINFHSA-N 1 0 307.684 1.847 20 5 DDBDRO O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)NC1C[NH2+]C1 ZINC000841160335 702370903 /nfs/dbraw/zinc/37/09/03/702370903.db2.gz CISCYDJWECBKNO-UHFFFAOYSA-N 1 0 315.127 1.451 20 5 DDBDRO [NH3+]C[C@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C1CCCC1 ZINC000818001857 702549518 /nfs/dbraw/zinc/54/95/18/702549518.db2.gz SDALEKUAPWOYST-ZDUSSCGKSA-N 1 0 322.321 1.750 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000818018236 702555746 /nfs/dbraw/zinc/55/57/46/702555746.db2.gz UHZCBCPZIYGRSF-MRXNPFEDSA-N 1 0 318.377 1.629 20 5 DDBDRO [NH3+][C@H](CNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl)C1CC1 ZINC000841854610 702588751 /nfs/dbraw/zinc/58/87/51/702588751.db2.gz CWLZBTCBZNUMCY-GFCCVEGCSA-N 1 0 312.757 1.785 20 5 DDBDRO CC[C@H]([NH3+])CNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000841858629 702591398 /nfs/dbraw/zinc/59/13/98/702591398.db2.gz SJNKOQLZCWPLKD-VIFPVBQESA-N 1 0 300.746 1.785 20 5 DDBDRO O=[N+]([O-])c1ccccc1OS(=O)(=O)CCC[NH+]1CCCC1 ZINC000866377522 706684943 /nfs/dbraw/zinc/68/49/43/706684943.db2.gz VTPMSJAFUAPSCR-UHFFFAOYSA-N 1 0 314.363 1.789 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCSCCCO)c1 ZINC000843072978 702813755 /nfs/dbraw/zinc/81/37/55/702813755.db2.gz JCZVQZOVMUHQOJ-CYBMUJFWSA-N 1 0 300.380 1.333 20 5 DDBDRO C[NH2+]C[C@@H]1CCCN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000843352625 702864790 /nfs/dbraw/zinc/86/47/90/702864790.db2.gz IXJVUIXORUDJQB-LBPRGKRZSA-N 1 0 324.356 1.746 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC000843471473 702888604 /nfs/dbraw/zinc/88/86/04/702888604.db2.gz VHUMNIQVEMIPPI-LDYMZIIASA-N 1 0 322.321 1.539 20 5 DDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000843504754 702896682 /nfs/dbraw/zinc/89/66/82/702896682.db2.gz SCZOJUCPCNBJDU-JTQLQIEISA-N 1 0 304.350 1.582 20 5 DDBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CC[C@@H]2C[N@@H+](C)C[C@H]21 ZINC000843893517 702939093 /nfs/dbraw/zinc/93/90/93/702939093.db2.gz OGNNCZXIKKXBTD-ZWNOBZJWSA-N 1 0 307.325 1.818 20 5 DDBDRO C[C@@H]1[C@H](COC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC[N@@H+]1C ZINC000845819060 703206254 /nfs/dbraw/zinc/20/62/54/703206254.db2.gz JRONVZORUOHRRO-ZJUUUORDSA-N 1 0 322.317 1.821 20 5 DDBDRO Cn1ccnc1[C@@H]1CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000846835475 703339345 /nfs/dbraw/zinc/33/93/45/703339345.db2.gz BNPNHWSHEGRTGA-HIFRSBDPSA-N 1 0 316.361 1.851 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)CN[C@@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000818959295 704035523 /nfs/dbraw/zinc/03/55/23/704035523.db2.gz HQCBESFHOLHNNH-BZUAXINKSA-N 1 0 305.378 1.845 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000818963295 704035872 /nfs/dbraw/zinc/03/58/72/704035872.db2.gz NTSXJOWQFLYJAS-OFQRWUPVSA-N 1 0 305.378 1.845 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000818972943 704038816 /nfs/dbraw/zinc/03/88/16/704038816.db2.gz PHWLLUZTRRYJAF-WBMJQRKESA-N 1 0 305.378 1.702 20 5 DDBDRO CCO[C@@H]1C[C@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H]1OC ZINC000819228698 704090912 /nfs/dbraw/zinc/09/09/12/704090912.db2.gz XCNWSGCHXKYCAT-XQLPTFJDSA-N 1 0 310.350 1.410 20 5 DDBDRO CCNC(=O)C1(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000819260651 704096114 /nfs/dbraw/zinc/09/61/14/704096114.db2.gz VCBMQEZCQHBDDA-CQSZACIVSA-N 1 0 321.377 1.524 20 5 DDBDRO CC(=O)N1CCC[C@H](C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000819277285 704099838 /nfs/dbraw/zinc/09/98/38/704099838.db2.gz GRNJAZYCXYHWAS-CJNGLKHVSA-N 1 0 321.377 1.476 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]Cc2cnc3n2CCCC3)c1 ZINC000819299514 704103452 /nfs/dbraw/zinc/10/34/52/704103452.db2.gz YYYVADIEKHMOPC-OAHLLOKOSA-N 1 0 316.361 1.951 20 5 DDBDRO COc1ccncc1C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819330076 704108672 /nfs/dbraw/zinc/10/86/72/704108672.db2.gz WTBUSNWOPIDWRR-CQSZACIVSA-N 1 0 303.318 1.822 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@H]2CCN(CC(F)F)C2)cc1 ZINC000819378249 704116726 /nfs/dbraw/zinc/11/67/26/704116726.db2.gz XWMUMQGURHXTRV-AAEUAGOBSA-N 1 0 315.320 1.557 20 5 DDBDRO O=C(NCCNc1ccccc1[N+](=O)[O-])[C@@H]1[NH2+]CC12CCCC2 ZINC000852775851 704121390 /nfs/dbraw/zinc/12/13/90/704121390.db2.gz BWBMIYZUKBXYMD-AWEZNQCLSA-N 1 0 318.377 1.655 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(N2CCC([N@@H+]3CC[C@H](O)C3)CC2)n1 ZINC000853964783 704341445 /nfs/dbraw/zinc/34/14/45/704341445.db2.gz AMQFURYJWQCGDX-ZDUSSCGKSA-N 1 0 306.366 1.334 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](C)C[NH+](C)C ZINC000821508230 704418841 /nfs/dbraw/zinc/41/88/41/704418841.db2.gz QAUPYCYKYHOOEZ-SNVBAGLBSA-N 1 0 310.354 1.923 20 5 DDBDRO CN(C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)C1CCC([NH3+])CC1 ZINC000857766711 704622357 /nfs/dbraw/zinc/62/23/57/704622357.db2.gz VJLXRPUDYBYPAS-UHFFFAOYSA-N 1 0 320.349 1.262 20 5 DDBDRO COC1CC(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)C1 ZINC000859329805 704866683 /nfs/dbraw/zinc/86/66/83/704866683.db2.gz OVHAUSPTWKCWJJ-UHFFFAOYSA-N 1 0 306.366 1.537 20 5 DDBDRO CS[C@@H]1CC[C@@H]1[NH2+][C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000822457173 704952126 /nfs/dbraw/zinc/95/21/26/704952126.db2.gz ZDCQTSXYHUQXBY-REWJHTLYSA-N 1 0 312.391 1.473 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NOC1CC[NH+](C)CC1 ZINC000822724349 705019750 /nfs/dbraw/zinc/01/97/50/705019750.db2.gz JDNLYIOOORDUNN-UHFFFAOYSA-N 1 0 307.350 1.967 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)c1 ZINC000859888399 705030900 /nfs/dbraw/zinc/03/09/00/705030900.db2.gz CTVTWRWJGBRGTR-YSOBRWQISA-N 1 0 324.402 1.614 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)CN2CC[NH+](CCCF)CC2)cc1 ZINC000860008351 705068535 /nfs/dbraw/zinc/06/85/35/705068535.db2.gz VOBLQYPPLYUIPJ-OAHLLOKOSA-N 1 0 311.357 1.605 20 5 DDBDRO COc1c(C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3C)cccc1[N+](=O)[O-] ZINC000874830376 705189154 /nfs/dbraw/zinc/18/91/54/705189154.db2.gz RGOXYZHZWPMWFB-QWHCGFSZSA-N 1 0 319.361 1.912 20 5 DDBDRO COc1cc(C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3C)ccc1[N+](=O)[O-] ZINC000874840450 705196127 /nfs/dbraw/zinc/19/61/27/705196127.db2.gz OBJVCMICRZAPKI-STQMWFEESA-N 1 0 319.361 1.912 20 5 DDBDRO C[NH+](C)CC(C)(C)CNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000823970971 705347826 /nfs/dbraw/zinc/34/78/26/705347826.db2.gz JMEZUGSTSCXUCU-CYBMUJFWSA-N 1 0 309.366 1.332 20 5 DDBDRO Cc1ccc(CNC(=O)N2CCC[N@@H+](C)CC2)cc1[N+](=O)[O-] ZINC000876170339 705647613 /nfs/dbraw/zinc/64/76/13/705647613.db2.gz ABQAPRRHHBFEBW-UHFFFAOYSA-N 1 0 306.366 1.750 20 5 DDBDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825970060 705752816 /nfs/dbraw/zinc/75/28/16/705752816.db2.gz USNJYLOMLVRRAR-WFASDCNBSA-N 1 0 321.377 1.428 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000876871090 705899407 /nfs/dbraw/zinc/89/94/07/705899407.db2.gz TYPOEKOCMLTQQW-LBPRGKRZSA-N 1 0 307.350 1.320 20 5 DDBDRO Cc1noc(C)c1CC[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877012152 705958797 /nfs/dbraw/zinc/95/87/97/705958797.db2.gz POSGYDOJHHGESB-UHFFFAOYSA-N 1 0 305.338 1.932 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)COc3cccc([N+](=O)[O-])c3)CC[C@H]21 ZINC000827346624 705982455 /nfs/dbraw/zinc/98/24/55/705982455.db2.gz PSBOFNCFIKVFKU-IUODEOHRSA-N 1 0 319.361 1.526 20 5 DDBDRO CC1(C)CC[C@H](CNC(=O)COc2ccc([N+](=O)[O-])cc2)[NH2+]C1 ZINC000877157840 706001473 /nfs/dbraw/zinc/00/14/73/706001473.db2.gz VRWZVPIPEIWMPH-GFCCVEGCSA-N 1 0 321.377 1.868 20 5 DDBDRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000877378577 706086403 /nfs/dbraw/zinc/08/64/03/706086403.db2.gz OJMBJRMGKHQERW-LKFCYVNXSA-N 1 0 309.753 1.930 20 5 DDBDRO CSc1ccc(C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)cc1[N+](=O)[O-] ZINC000877378018 706086513 /nfs/dbraw/zinc/08/65/13/706086513.db2.gz KCJWDPSBMKQSGM-XHDPSFHLSA-N 1 0 321.402 1.998 20 5 DDBDRO CN(C(=O)Cc1cccc(F)c1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000864396141 706156588 /nfs/dbraw/zinc/15/65/88/706156588.db2.gz GVZOBROAVNEBSF-UHFFFAOYSA-N 1 0 309.341 1.829 20 5 DDBDRO CO[C@@H](C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)[C@@H]1CCOC1 ZINC000877620957 706162234 /nfs/dbraw/zinc/16/22/34/706162234.db2.gz OAQQEAMGHKPWLV-NPZBDFSRSA-N 1 0 310.354 1.136 20 5 DDBDRO CC(C)(O)C[N@@H+]1CC[C@H](NCc2ccc([N+](=O)[O-])cc2F)C1 ZINC000865659273 706490156 /nfs/dbraw/zinc/49/01/56/706490156.db2.gz KNBYNLJEBYKTDJ-LBPRGKRZSA-N 1 0 311.357 1.669 20 5 DDBDRO CN(C(=O)Cc1cccc(F)c1[N+](=O)[O-])[C@H]1C[NH+]2CCC1CC2 ZINC000865713684 706503876 /nfs/dbraw/zinc/50/38/76/706503876.db2.gz SSQOQWWSUMISJT-AWEZNQCLSA-N 1 0 321.352 1.829 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(c3c([N+](=O)[O-])cccc3[N+](=O)[O-])C[C@@H]2C1 ZINC000865905427 706559162 /nfs/dbraw/zinc/55/91/62/706559162.db2.gz JTUUEFWVNBRWNA-MNOVXSKESA-N 1 0 306.322 1.891 20 5 DDBDRO COC[C@H](C)OC[C@H](O)C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000872230947 707339623 /nfs/dbraw/zinc/33/96/23/707339623.db2.gz ASBARUGRHANRIS-GXTWGEPZSA-N 1 0 312.366 1.405 20 5 DDBDRO Cc1ccc(C[NH2+]C[C@@H](O)C[C@@](C)(O)C2CC2)cc1[N+](=O)[O-] ZINC000872231535 707340258 /nfs/dbraw/zinc/34/02/58/707340258.db2.gz MKLLOCLYPHDGLS-GOEBONIOSA-N 1 0 308.378 1.905 20 5 DDBDRO Cc1cc(F)cc(C(=O)N2C[C@H]3CC[N@@H+](C)[C@H]3C2)c1[N+](=O)[O-] ZINC000836847729 707529355 /nfs/dbraw/zinc/52/93/55/707529355.db2.gz CPKNRGABUXZECK-MFKMUULPSA-N 1 0 307.325 1.818 20 5 DDBDRO C[N@@H+]1CCN(CCNc2ccnc(F)c2[N+](=O)[O-])CC1(C)C ZINC000882314388 707580038 /nfs/dbraw/zinc/58/00/38/707580038.db2.gz SREIZWKHHZEJMQ-UHFFFAOYSA-N 1 0 311.361 1.567 20 5 DDBDRO CC(C)[N@@H+]1CCCC[C@H]1COC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000837613342 707695812 /nfs/dbraw/zinc/69/58/12/707695812.db2.gz UFMKNMFONYSEES-NSHDSACASA-N 1 0 322.365 1.992 20 5 DDBDRO C[C@@H]1CN(c2cc[nH]c(=O)c2[N+](=O)[O-])CCN1c1cc[nH+]cc1 ZINC000882820135 707808438 /nfs/dbraw/zinc/80/84/38/707808438.db2.gz GXEMOVBHKMXZDP-LLVKDONJSA-N 1 0 315.333 1.806 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CCOC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC000873359547 707823745 /nfs/dbraw/zinc/82/37/45/707823745.db2.gz DAWIKOCOQCYAJV-CQSZACIVSA-N 1 0 324.381 1.763 20 5 DDBDRO C[N@H+](CCNc1ccc(F)cc1[N+](=O)[O-])CCOCCO ZINC000882951955 707868740 /nfs/dbraw/zinc/86/87/40/707868740.db2.gz CRZFMIPKYQZROW-UHFFFAOYSA-N 1 0 301.318 1.087 20 5 DDBDRO CC[N@@H+]1CC[C@H]1CNC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000883079649 707920269 /nfs/dbraw/zinc/92/02/69/707920269.db2.gz ZBKVSNPIIUJTNU-LBPRGKRZSA-N 1 0 321.381 1.400 20 5 DDBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000883170359 707946200 /nfs/dbraw/zinc/94/62/00/707946200.db2.gz RSHCSJCGJJDBDX-GFCCVEGCSA-N 1 0 322.365 1.497 20 5 DDBDRO C[NH+]1CCC2(CCN2c2cc(F)c([N+](=O)[O-])cc2CO)CC1 ZINC000897133184 708236812 /nfs/dbraw/zinc/23/68/12/708236812.db2.gz FLLZBJHZFTZPAJ-UHFFFAOYSA-N 1 0 309.341 1.901 20 5 DDBDRO Cc1c(C(=O)OCCC[NH+](C)C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000912593956 713041314 /nfs/dbraw/zinc/04/13/14/713041314.db2.gz CLKUVOGAJDYUHJ-UHFFFAOYSA-N 1 0 311.294 1.920 20 5 DDBDRO CN(CC[N@H+](C)CCO)C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000912599001 713042298 /nfs/dbraw/zinc/04/22/98/713042298.db2.gz NASPHADSEJRKQW-LSDHHAIUSA-N 1 0 321.377 1.081 20 5 DDBDRO O=C1C[C@@H]([C@@H]2CCCC[N@H+]2Cc2cccnc2[N+](=O)[O-])CN1 ZINC000886098677 708697944 /nfs/dbraw/zinc/69/79/44/708697944.db2.gz PKHFKEMSRIYGQE-OLZOCXBDSA-N 1 0 304.350 1.480 20 5 DDBDRO O=[N+]([O-])c1ccc2oc(C[N@@H+]3C[C@@H]4[C@H](O)CC[C@@H]4C3)nc2c1 ZINC000886579299 708780767 /nfs/dbraw/zinc/78/07/67/708780767.db2.gz IEIFVKSIBZPONF-SUZMYJTESA-N 1 0 303.318 1.939 20 5 DDBDRO CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000886597441 708787971 /nfs/dbraw/zinc/78/79/71/708787971.db2.gz DUCHYKXUMZBTDQ-GFCCVEGCSA-N 1 0 322.365 1.498 20 5 DDBDRO CCOc1ccc([C@@H](C)[NH2+]CCN2CCNC2=O)cc1[N+](=O)[O-] ZINC000886743294 708832540 /nfs/dbraw/zinc/83/25/40/708832540.db2.gz ZTPWHGUBTOJJKN-LLVKDONJSA-N 1 0 322.365 1.669 20 5 DDBDRO Cc1ccc(CNC(=O)C2C[NH+]([C@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC000899178301 709010974 /nfs/dbraw/zinc/01/09/74/709010974.db2.gz HNPBXOQXTQRFEQ-AWEZNQCLSA-N 1 0 319.361 1.240 20 5 DDBDRO CCC1([NH+]2CCC2)CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000899563160 709113090 /nfs/dbraw/zinc/11/30/90/709113090.db2.gz WCUNGXNAZZAXCS-UHFFFAOYSA-N 1 0 321.381 1.268 20 5 DDBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@H+](C)CCO ZINC000899741445 709185791 /nfs/dbraw/zinc/18/57/91/709185791.db2.gz XXCGPYKPASDRRP-VAWYXSNFSA-N 1 0 307.350 1.038 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000899911697 709235203 /nfs/dbraw/zinc/23/52/03/709235203.db2.gz VQEDLCSRTNIKNQ-HNNXBMFYSA-N 1 0 307.350 1.689 20 5 DDBDRO O=C(c1ccccc1[N+](=O)[O-])N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000889783128 709633960 /nfs/dbraw/zinc/63/39/60/709633960.db2.gz VLWISJJKFTVIRV-HUUCEWRRSA-N 1 0 319.361 1.266 20 5 DDBDRO C[C@H](NC(=O)c1c(F)cccc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCN1C ZINC000900807968 709769898 /nfs/dbraw/zinc/76/98/98/709769898.db2.gz XMSLQNVDPQEXSA-GWCFXTLKSA-N 1 0 324.356 1.098 20 5 DDBDRO CC[N@@H+]1CCCN(C(=O)c2c(N)cccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000910281812 709863705 /nfs/dbraw/zinc/86/37/05/709863705.db2.gz DWXGYGHNGRZSEO-NSHDSACASA-N 1 0 306.366 1.733 20 5 DDBDRO CC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])(C(F)(F)F)CC1 ZINC000891211365 710125388 /nfs/dbraw/zinc/12/53/88/710125388.db2.gz GIYKHOINHFMPNT-RKDXNWHRSA-N 1 0 309.288 1.185 20 5 DDBDRO C[C@@H](NC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000891382749 710180276 /nfs/dbraw/zinc/18/02/76/710180276.db2.gz OWADBVCPISHANN-PVXIVEMSSA-N 1 0 318.377 1.907 20 5 DDBDRO Cc1ccc(CNC(=O)N(C2CC2)[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000892536936 710454052 /nfs/dbraw/zinc/45/40/52/710454052.db2.gz MKDDKYSTSCMYGY-AWEZNQCLSA-N 1 0 318.377 1.939 20 5 DDBDRO COc1cccc(C(=O)N[C@@]2(C)C[NH+]3CCC2CC3)c1[N+](=O)[O-] ZINC000892770158 710495679 /nfs/dbraw/zinc/49/56/79/710495679.db2.gz XGNJXVPERUOYKB-INIZCTEOSA-N 1 0 319.361 1.818 20 5 DDBDRO C[C@@]1(NC(=O)COc2ccc([N+](=O)[O-])cc2)C[NH+]2CCC1CC2 ZINC000892799346 710501842 /nfs/dbraw/zinc/50/18/42/710501842.db2.gz NJSHGDRYVGEPJS-MRXNPFEDSA-N 1 0 319.361 1.574 20 5 DDBDRO C[NH+]1C[C@]2(C)CN(C(=O)c3cccc([N+](=O)[O-])c3N)C[C@@]2(C)C1 ZINC000913281650 713190556 /nfs/dbraw/zinc/19/05/56/713190556.db2.gz BKXWVECRULBESX-HZPDHXFCSA-N 1 0 318.377 1.591 20 5 DDBDRO C[C@]1(Br)C[C@@H]1C[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000893134364 710559999 /nfs/dbraw/zinc/55/99/99/710559999.db2.gz KMNVUJFLVKPYCW-SCZZXKLOSA-N 1 0 303.160 1.554 20 5 DDBDRO C[N@@H+]1C[C@@]2(C)CN(C(=O)Cc3ccc([N+](=O)[O-])cc3)C[C@@]2(C)C1 ZINC000913295345 713194060 /nfs/dbraw/zinc/19/40/60/713194060.db2.gz SLKIBWDMHJBSCS-CALCHBBNSA-N 1 0 317.389 1.938 20 5 DDBDRO CCOc1ccc(C(=O)N[C@H]2CC[N@H+](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000928452604 713203462 /nfs/dbraw/zinc/20/34/62/713203462.db2.gz NFAFISGKRFEFLQ-JQWIXIFHSA-N 1 0 307.350 1.816 20 5 DDBDRO C[N@H+](CC(=O)NCc1cc([N+](=O)[O-])c(F)cc1F)C1CCC1 ZINC000911475084 710813425 /nfs/dbraw/zinc/81/34/25/710813425.db2.gz QHMKKDRNGNSNMH-UHFFFAOYSA-N 1 0 313.304 1.974 20 5 DDBDRO C[N@@H+]1CC[C@@H]1CNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000928553723 713223580 /nfs/dbraw/zinc/22/35/80/713223580.db2.gz DIXFWTYMYMAMMU-SECBINFHSA-N 1 0 315.732 1.750 20 5 DDBDRO O=C(NCCNc1ccccc1[N+](=O)[O-])[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000912112174 711177929 /nfs/dbraw/zinc/17/79/29/711177929.db2.gz BWSAHTAMAFTNAZ-QJPTWQEYSA-N 1 0 304.350 1.263 20 5 DDBDRO Cn1cc(CN2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)c([N+](=O)[O-])n1 ZINC000903541333 711180063 /nfs/dbraw/zinc/18/00/63/711180063.db2.gz KZFUYALKEJWPLG-BDAKNGLRSA-N 1 0 307.276 1.040 20 5 DDBDRO CN(C(=O)CN1C[C@H]([NH3+])C(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000903551985 711188160 /nfs/dbraw/zinc/18/81/60/711188160.db2.gz FLIZEZUFVCQERJ-ZDUSSCGKSA-N 1 0 306.366 1.227 20 5 DDBDRO Cn1cc(C[NH2+]C[C@H]2COCO2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000894873905 711304443 /nfs/dbraw/zinc/30/44/43/711304443.db2.gz UKCOJVQRDPTDOL-AWEZNQCLSA-N 1 0 318.333 1.458 20 5 DDBDRO CN(C(=O)CN1CCC[C@]12CC[NH2+]C2)c1ccc([N+](=O)[O-])cc1 ZINC000903864029 711307907 /nfs/dbraw/zinc/30/79/07/711307907.db2.gz GCENCTRDXKSRRT-MRXNPFEDSA-N 1 0 318.377 1.386 20 5 DDBDRO C[NH+](C)C[C@]1(O)CCN(c2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC000895010645 711365945 /nfs/dbraw/zinc/36/59/45/711365945.db2.gz UMGKYMMGSMRQGX-MRXNPFEDSA-N 1 0 316.361 1.646 20 5 DDBDRO COc1c(O)ccc(C[NH2+][C@H]2CO[C@H](C3CC3)C2)c1[N+](=O)[O-] ZINC000895633332 711565163 /nfs/dbraw/zinc/56/51/63/711565163.db2.gz BSOFHJWVBIYWJB-YPMHNXCESA-N 1 0 308.334 1.966 20 5 DDBDRO COC(=O)/C=C\c1ccc(NC[C@H]2CC[N@@H+]2C)c([N+](=O)[O-])c1 ZINC000895777742 711604207 /nfs/dbraw/zinc/60/42/07/711604207.db2.gz WVGVSDPGOHAWBY-TXNVCOODSA-N 1 0 305.334 1.897 20 5 DDBDRO CCN1CC[C@@H]1C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000905443010 712038607 /nfs/dbraw/zinc/03/86/07/712038607.db2.gz XFWIQLAAHRZPND-KGLIPLIRSA-N 1 0 309.366 1.018 20 5 DDBDRO C[C@@H]1[C@@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCN1C ZINC000905541888 712071483 /nfs/dbraw/zinc/07/14/83/712071483.db2.gz RSCNPFHJVJSBJV-ZLDLUXBVSA-N 1 0 309.366 1.017 20 5 DDBDRO C[C@@H]1C[NH2+]C[C@H]1Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O ZINC000905731661 712133808 /nfs/dbraw/zinc/13/38/08/712133808.db2.gz OUBSMJPGLMDMTD-YPMHNXCESA-N 1 0 314.345 1.674 20 5 DDBDRO COc1ccc(NC(=O)C2CN(C)CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000907301131 712537411 /nfs/dbraw/zinc/53/74/11/712537411.db2.gz UNJCJNJSCLYZCM-UHFFFAOYSA-N 1 0 322.365 1.035 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c1C ZINC000907803965 712628889 /nfs/dbraw/zinc/62/88/89/712628889.db2.gz OXADUAQGFRZCST-BETUJISGSA-N 1 0 303.362 1.845 20 5 DDBDRO C[N@@H+]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000918395369 713541372 /nfs/dbraw/zinc/54/13/72/713541372.db2.gz PFGDKGPWFWTKKD-JTQLQIEISA-N 1 0 308.294 1.327 20 5 DDBDRO Cc1ccc(NC(=O)COC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000929131989 713552954 /nfs/dbraw/zinc/55/29/54/713552954.db2.gz ASEJFKANPYMVKX-UHFFFAOYSA-N 1 0 307.350 1.953 20 5 DDBDRO O=C(NCC[NH+]1CCCC1)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000929461210 713615261 /nfs/dbraw/zinc/61/52/61/713615261.db2.gz GHYACIMYXHBMTN-HUUCEWRRSA-N 1 0 303.362 1.910 20 5 DDBDRO O=C(NCC[NH+]1CCCC1)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000929461201 713615333 /nfs/dbraw/zinc/61/53/33/713615333.db2.gz GHYACIMYXHBMTN-CABCVRRESA-N 1 0 303.362 1.910 20 5 DDBDRO C[C@H]([NH2+]CC[N+](=O)[O-])c1ccc(OCC(=O)NC2CC2)cc1 ZINC000930199346 713776529 /nfs/dbraw/zinc/77/65/29/713776529.db2.gz SGZAOYHVECLCON-NSHDSACASA-N 1 0 307.350 1.271 20 5 DDBDRO C[C@@H]1CC[C@@H](C(N)=O)[C@@H](C)[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000930914218 713956903 /nfs/dbraw/zinc/95/69/03/713956903.db2.gz GWZRQAHPYKHLRD-JHJVBQTASA-N 1 0 321.377 1.948 20 5 DDBDRO C[NH+](C)[C@@H]1[C@H]2CN(CCC(=O)Nc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000931277557 714055043 /nfs/dbraw/zinc/05/50/43/714055043.db2.gz LJTHJWLNFSXCDL-ATCWAGBWSA-N 1 0 318.377 1.415 20 5 DDBDRO COC1(OC)CC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000931639129 714146269 /nfs/dbraw/zinc/14/62/69/714146269.db2.gz HRXSNKGRYHOMBD-RISCZKNCSA-N 1 0 310.350 1.712 20 5 DDBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCN2C2CCOCC2)cc1 ZINC000922951105 714195908 /nfs/dbraw/zinc/19/59/08/714195908.db2.gz JMZRZJLKSXTHNR-MRXNPFEDSA-N 1 0 305.378 1.938 20 5 DDBDRO Cc1ccc(C[NH2+][C@H]2C[C@@H](O)C23CCOCC3)cc1[N+](=O)[O-] ZINC000923022778 714217031 /nfs/dbraw/zinc/21/70/31/714217031.db2.gz CXJUDRARYBGKEM-LSDHHAIUSA-N 1 0 306.362 1.923 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000923359610 714327214 /nfs/dbraw/zinc/32/72/14/714327214.db2.gz SZFDNPSZHFTCGR-BFHYXJOUSA-N 1 0 321.377 1.018 20 5 DDBDRO C[C@@H]1COC[C@@H]1[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000932494758 714346602 /nfs/dbraw/zinc/34/66/02/714346602.db2.gz QUUGWLWEMKGCHE-MFKMUULPSA-N 1 0 305.334 1.108 20 5 DDBDRO CCO[C@H]1CCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000932973828 714447238 /nfs/dbraw/zinc/44/72/38/714447238.db2.gz LQKSXHUSAMGPCD-LSDHHAIUSA-N 1 0 319.361 1.811 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCC[C@H]2C2OCCO2)cc1 ZINC000933902373 714697325 /nfs/dbraw/zinc/69/73/25/714697325.db2.gz ZNTPYTDCSFMBHB-KBPBESRZSA-N 1 0 308.334 1.466 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H]2CCOC23CCOCC3)cc1 ZINC000924991321 714718925 /nfs/dbraw/zinc/71/89/25/714718925.db2.gz DBZKKCYJNKYQSS-HUUCEWRRSA-N 1 0 322.361 1.556 20 5 DDBDRO C[N@H+](CCO)CCNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000924996903 714721006 /nfs/dbraw/zinc/72/10/06/714721006.db2.gz CBPYZXJGCVYSBH-UHFFFAOYSA-N 1 0 319.720 1.041 20 5 DDBDRO C[C@@H]1[C@@H](NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000925317532 714806898 /nfs/dbraw/zinc/80/68/98/714806898.db2.gz MCKAOCIKYMURRK-YPMHNXCESA-N 1 0 306.366 1.829 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000935663223 715112723 /nfs/dbraw/zinc/11/27/23/715112723.db2.gz PTQBLFVXBLGYAW-CYBMUJFWSA-N 1 0 321.381 1.233 20 5 DDBDRO O=[N+]([O-])c1cc2ccccc2nc1N1CCN2CC[NH2+]C[C@H]2C1 ZINC001164399570 718836641 /nfs/dbraw/zinc/83/66/41/718836641.db2.gz ZXIDDCZUEBHQEY-ZDUSSCGKSA-N 1 0 313.361 1.237 20 5 DDBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1)c1cocn1 ZINC001021894017 733646734 /nfs/dbraw/zinc/64/67/34/733646734.db2.gz NCPYJVQMHYWGGV-AOOOYVTPSA-N 1 0 322.346 1.695 20 5 DDBDRO Cc1ncc(C[NH3+])c(=N)n1-c1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC001167673017 735258578 /nfs/dbraw/zinc/25/85/78/735258578.db2.gz GCNIRSUDFSHDJU-UHFFFAOYSA-N 1 0 314.349 1.301 20 5 DDBDRO O=[N+]([O-])c1c(Br)ccnc1N[C@H]1C[NH2+]CC[C@H]1F ZINC001168232480 741834550 /nfs/dbraw/zinc/83/45/50/741834550.db2.gz ZRXKANYVONXPPX-SFYZADRCSA-N 1 0 319.134 1.864 20 5 DDBDRO Cn1cc([N+](=O)[O-])c(C(=O)OC[C@@H]2CCC[N@@H+]2CC2CC2)n1 ZINC001123375835 746378324 /nfs/dbraw/zinc/37/83/24/746378324.db2.gz OIONZZFATFNVOD-NSHDSACASA-N 1 0 308.338 1.360 20 5 DDBDRO CCN(CCNc1ccc([N+](=O)[O-])cc1)C(=O)CC[NH+](C)C ZINC001106946848 748217579 /nfs/dbraw/zinc/21/75/79/748217579.db2.gz SMSBTUICKCYJEL-UHFFFAOYSA-N 1 0 308.382 1.807 20 5 DDBDRO CCCCOCC[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001200472927 748265131 /nfs/dbraw/zinc/26/51/31/748265131.db2.gz VCVXVPYCZUBEOO-ZIAGYGMSSA-N 1 0 313.398 1.049 20 5 DDBDRO Cn1cc(N2C[C@H](CC[NH3+])c3ccccc32)cc([N+](=O)[O-])c1=O ZINC001168544915 750543699 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COc1ccc(C[C@@H](C)N2CCO[C@@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC001170311062 766244677 /nfs/dbraw/zinc/24/46/77/766244677.db2.gz ZBGNRGWILXNKPT-RISCZKNCSA-N 1 0 309.366 1.194 20 5 DDBDRO COc1ccc(C[C@@H](C)[NH2+][C@H]2CCN(C)C(=O)C2)c([N+](=O)[O-])c1 ZINC001170308713 766259272 /nfs/dbraw/zinc/25/92/72/766259272.db2.gz ODHXWWHXULKFSB-YPMHNXCESA-N 1 0 321.377 1.745 20 5 DDBDRO C[NH+](C)CC(C)(C)CNc1c(Cl)[n+]([O-])ccc1[N+](=O)[O-] ZINC001157941926 767424407 /nfs/dbraw/zinc/42/44/07/767424407.db2.gz HAMYBELSUXDDMT-UHFFFAOYSA-N 1 0 302.762 1.881 20 5 DDBDRO Nc1cc([N+](=O)[O-])cnc1N[C@H]1CC[NH2+]C[C@@H]1C(F)(F)F ZINC001160743877 772699148 /nfs/dbraw/zinc/69/91/48/772699148.db2.gz OUXDLZHHZKMOGY-CBAPKCEASA-N 1 0 305.260 1.524 20 5 DDBDRO CC[NH+](CC)CCCCNC(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001148904899 773631516 /nfs/dbraw/zinc/63/15/16/773631516.db2.gz PQEHHBHKXKLZLF-UHFFFAOYSA-N 1 0 309.370 1.424 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(NCCNC(=O)CCC[NH+](C)C)n1 ZINC001094094659 775427993 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319.405 1.932 20 5 DDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCN2C(=O)COC[C@@H]2C1 ZINC001173235016 777064336 /nfs/dbraw/zinc/06/43/36/777064336.db2.gz VRLCJZFGPUTVIN-WFASDCNBSA-N 1 0 319.361 1.069 20 5 DDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CC2(C1)CCN(C)C2=O ZINC001173237733 777075503 /nfs/dbraw/zinc/07/55/03/777075503.db2.gz LOLNFTNIULQSSI-LBPRGKRZSA-N 1 0 303.362 1.690 20 5 DDBDRO O=C(NC[C@@H]1C[NH2+]CCC1(F)F)c1ccc([N+](=O)[O-])cc1F ZINC001119382906 781429471 /nfs/dbraw/zinc/42/94/71/781429471.db2.gz RTJAAHGWBIJSJJ-QMMMGPOBSA-N 1 0 317.267 1.709 20 5 DDBDRO CCC[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC1CC(C)(C)C1 ZINC001267313946 837810313 /nfs/dbraw/zinc/81/03/13/837810313.db2.gz CCKJUBDDQWVWJJ-ZIAGYGMSSA-N 1 0 311.426 1.916 20 5 DDBDRO O=C(CC[N@@H+]1CC[C@@]12CCOC2)Nc1cc([N+](=O)[O-])ccc1F ZINC001326214162 861199624 /nfs/dbraw/zinc/19/96/24/861199624.db2.gz RKIJRADHURKSMZ-HNNXBMFYSA-N 1 0 323.324 1.927 20 5 DDBDRO Cc1cc(Cl)nc(N2CCOC[C@@H]2C[NH+](C)C)c1[N+](=O)[O-] ZINC001154968600 861609823 /nfs/dbraw/zinc/60/98/23/861609823.db2.gz OEGPOFIOWCYNHW-JTQLQIEISA-N 1 0 314.773 1.718 20 5 DDBDRO O=C(NCCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1cn[nH]c1 ZINC001155035231 861663114 /nfs/dbraw/zinc/66/31/14/861663114.db2.gz AQTCXCSFDISJIF-UHFFFAOYSA-N 1 0 309.351 1.289 20 5 DDBDRO O=[N+]([O-])c1c(Cl)ccnc1NCc1nnc2n1CCC[NH2+]C2 ZINC001155424577 862071813 /nfs/dbraw/zinc/07/18/13/862071813.db2.gz IKIBZWAUVAKEJY-UHFFFAOYSA-N 1 0 323.744 1.340 20 5 DDBDRO O=[N+]([O-])c1cc[n+]([O-])c(NCC[C@@H]2C[NH2+]Cc3cccn3C2)c1 ZINC001155454609 862105839 /nfs/dbraw/zinc/10/58/39/862105839.db2.gz SHNBYSIHHNRKRS-GFCCVEGCSA-N 1 0 317.349 1.251 20 5 DDBDRO Cc1nc(NCC[C@H]2C[NH2+]Cc3cccn3C2)ncc1[N+](=O)[O-] ZINC001155463780 862116218 /nfs/dbraw/zinc/11/62/18/862116218.db2.gz XABMNIDZKWGOCC-LBPRGKRZSA-N 1 0 316.365 1.716 20 5 DDBDRO COc1nc(NC[C@H]2OC[C@H]3C[NH2+]CC[C@H]32)ccc1[N+](=O)[O-] ZINC001155522528 862186938 /nfs/dbraw/zinc/18/69/38/862186938.db2.gz GVBWFEWRNSXHTR-CKYFFXLPSA-N 1 0 308.338 1.035 20 5 DDBDRO CC[N@@H+]1CCC[C@@H](CNc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC001327616167 862320792 /nfs/dbraw/zinc/32/07/92/862320792.db2.gz KNTJAEAFWZBBBN-NSHDSACASA-N 1 0 306.366 1.838 20 5 DDBDRO COC1C[C@H]2CC[C@@H](C1)N2c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001155818215 862474253 /nfs/dbraw/zinc/47/42/53/862474253.db2.gz PQAZTVXWTAHZBP-FOSCPWQOSA-N 1 0 319.365 1.218 20 5 DDBDRO O=C(Cc1cc[nH]n1)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001156081468 862706906 /nfs/dbraw/zinc/70/69/06/862706906.db2.gz IMFGAXJOAUMBBQ-UHFFFAOYSA-N 1 0 317.349 1.157 20 5 DDBDRO Cc1nc(N2CC[NH2+]C[C@@H]2c2cccs2)ncc1[N+](=O)[O-] ZINC001156119464 862734807 /nfs/dbraw/zinc/73/48/07/862734807.db2.gz BGPSVVWSOZPROC-LLVKDONJSA-N 1 0 305.363 1.906 20 5 DDBDRO O=C(NCC[C@@H]1CSCC[NH2+]1)c1cc(F)cc([N+](=O)[O-])c1 ZINC001122000355 858657463 /nfs/dbraw/zinc/65/74/63/858657463.db2.gz DUSBWRWLOUWXJD-LLVKDONJSA-N 1 0 313.354 1.559 20 5 DDBDRO O=C([C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC001122049014 858671798 /nfs/dbraw/zinc/67/17/98/858671798.db2.gz DPBXPIMXZFCTKN-CYZMBNFOSA-N 1 0 319.365 1.095 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC001122159830 858699741 /nfs/dbraw/zinc/69/97/41/858699741.db2.gz TVXGNNJCGSEXRA-GHMZBOCLSA-N 1 0 317.267 1.865 20 5 DDBDRO COC[C@@H]1C[NH2+]CCN1C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC001122332215 858758433 /nfs/dbraw/zinc/75/84/33/858758433.db2.gz PMERHFNPJQNERC-ZBKLQPJUSA-N 1 0 305.334 1.055 20 5 DDBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N1CCC[C@]12CC[NH2+]C2 ZINC001122411440 858797634 /nfs/dbraw/zinc/79/76/34/858797634.db2.gz JQHINKZHEOXBMK-MRXNPFEDSA-N 1 0 319.361 1.718 20 5 DDBDRO C[NH+](C)[C@H]1CCCN(C(=O)c2[nH]nc([N+](=O)[O-])c2Cl)CC1 ZINC001138230172 860044751 /nfs/dbraw/zinc/04/47/51/860044751.db2.gz IEGLGJHAFUACJU-QMMMGPOBSA-N 1 0 315.761 1.528 20 5 DDBDRO CC(C)[NH+]1CCC(N(C)C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC1 ZINC001141319385 860824369 /nfs/dbraw/zinc/82/43/69/860824369.db2.gz CUZSSFOEIGZVBD-UHFFFAOYSA-N 1 0 322.365 1.640 20 5 DDBDRO CC[N@@H+]1C[C@@H](NC(=O)c2ccnc(NC)c2[N+](=O)[O-])C(C)(C)C1 ZINC001156837419 863383187 /nfs/dbraw/zinc/38/31/87/863383187.db2.gz UGBDMTKTINKLLG-LLVKDONJSA-N 1 0 321.381 1.492 20 5 DDBDRO [NH3+]Cc1nn(-c2nc(Cl)ncc2[N+](=O)[O-])c2ccccc12 ZINC001156855821 863399873 /nfs/dbraw/zinc/39/98/73/863399873.db2.gz HVTRULLQONIJES-UHFFFAOYSA-N 1 0 304.697 1.836 20 5 DDBDRO COc1cc(C)nc(N2C[C@H]3CCC[N@H+](C)[C@@H]3C2)c1[N+](=O)[O-] ZINC001157266357 863695488 /nfs/dbraw/zinc/69/54/88/863695488.db2.gz RBEHOKKRAQEZAW-VXGBXAGGSA-N 1 0 306.366 1.837 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(-n2ccc3c2CC[NH2+]C3)n1 ZINC001157454476 863829442 /nfs/dbraw/zinc/82/94/42/863829442.db2.gz YFJUXNGXVCICJX-UHFFFAOYSA-N 1 0 302.290 1.213 20 5 DDBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CCC(C)([NH+]2CCCC2)CC1 ZINC001157659662 864025656 /nfs/dbraw/zinc/02/56/56/864025656.db2.gz IOYKHNRPQRSFCW-UHFFFAOYSA-N 1 0 320.393 1.991 20 5 DDBDRO CCC[NH+]1C[C@@H]2CN(c3ncc([N+](=O)[O-])c(OC)n3)C[C@H]2C1 ZINC001157689354 864048869 /nfs/dbraw/zinc/04/88/69/864048869.db2.gz MRQKFFOHOYPRJR-GHMZBOCLSA-N 1 0 307.354 1.171 20 5 DDBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCOCCCO ZINC001330354984 864268245 /nfs/dbraw/zinc/26/82/45/864268245.db2.gz UTHBVZZGGGJBCM-NSHDSACASA-N 1 0 300.330 1.654 20 5 DDBDRO Cc1nnc(C[NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])n1C ZINC001330354630 864268428 /nfs/dbraw/zinc/26/84/28/864268428.db2.gz OTIALSLMFQTJEX-SECBINFHSA-N 1 0 307.329 1.892 20 5 DDBDRO Cc1ncn(-c2nccc(C)c2[N+](=O)[O-])c1CSCC[NH3+] ZINC001157961824 864308489 /nfs/dbraw/zinc/30/84/89/864308489.db2.gz OTMBTMJLURYEII-UHFFFAOYSA-N 1 0 307.379 1.984 20 5 DDBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N(C(C)C)[C@@H]1CC[NH2+]C1 ZINC001158032783 864375648 /nfs/dbraw/zinc/37/56/48/864375648.db2.gz LMECBNDAMVYOHW-LLVKDONJSA-N 1 0 322.365 1.743 20 5 DDBDRO [NH3+]Cc1cccc(-c2nnn(-c3ncc([N+](=O)[O-])cc3F)n2)c1 ZINC001158042490 864383846 /nfs/dbraw/zinc/38/38/46/864383846.db2.gz CUPIQZLKBSHIFQ-UHFFFAOYSA-N 1 0 315.268 1.230 20 5 DDBDRO CCN(c1cc([N+](=O)[O-])cc(Cl)[n+]1[O-])[C@@H]1CCC[NH2+]C1 ZINC001158205995 864488601 /nfs/dbraw/zinc/48/86/01/864488601.db2.gz XSBSLFGAYFEDHK-SECBINFHSA-N 1 0 300.746 1.460 20 5 DDBDRO Cc1ncoc1C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC001331527602 865137340 /nfs/dbraw/zinc/13/73/40/865137340.db2.gz BXNSFWIHKYJENY-LLVKDONJSA-N 1 0 303.322 1.973 20 5 DDBDRO Cc1c(C)c([N+](=O)[O-])cnc1NC[C@H]1O[C@H](C(C)C)O[C@@H]1C[NH3+] ZINC001159240739 865181143 /nfs/dbraw/zinc/18/11/43/865181143.db2.gz UJFPRWZGLVVGRT-UMVBOHGHSA-N 1 0 324.381 1.743 20 5 DDBDRO C[C@@H](Nc1ncnc2ccc([N+](=O)[O-])cc21)[C@H]1C[NH2+]CCO1 ZINC001159496836 865347063 /nfs/dbraw/zinc/34/70/63/865347063.db2.gz LBQVXFPOQUORHW-NOZJJQNGSA-N 1 0 303.322 1.327 20 5 DDBDRO Cc1cc(Cl)nc(N[C@H](C)[C@@H]2C[NH2+]CCO2)c1[N+](=O)[O-] ZINC001159499695 865355069 /nfs/dbraw/zinc/35/50/69/865355069.db2.gz UYPMPPVSLOVATO-BDAKNGLRSA-N 1 0 300.746 1.740 20 5 DDBDRO O=[N+]([O-])c1c(Cl)ccc2nc(N[C@@H]3C[NH2+]C[C@H]3CO)ccc21 ZINC001159680115 865466807 /nfs/dbraw/zinc/46/68/07/865466807.db2.gz YLGQCNQAZMQRSZ-QPUJVOFHSA-N 1 0 322.752 1.789 20 5 DDBDRO O=[N+]([O-])c1c(Cl)ccc2nc(N[C@H]3C[NH2+]C[C@@H]3CO)ccc21 ZINC001159680110 865466891 /nfs/dbraw/zinc/46/68/91/865466891.db2.gz YLGQCNQAZMQRSZ-PELKAZGASA-N 1 0 322.752 1.789 20 5 DDBDRO O=[N+]([O-])c1cc2nc(Cl)ccc2cc1N[C@H]1C[NH2+]C[C@@H]1CO ZINC001159684080 865470248 /nfs/dbraw/zinc/47/02/48/865470248.db2.gz ZGNTYXVPXQMLDL-SKDRFNHKSA-N 1 0 322.752 1.789 20 5 DDBDRO CC[C@@]([NH3+])(CO)Nc1ccc(-c2ccc(C)c([N+](=O)[O-])c2)nn1 ZINC001159744327 865497237 /nfs/dbraw/zinc/49/72/37/865497237.db2.gz PRXIAYWKUSGSJY-HNNXBMFYSA-N 1 0 317.349 1.829 20 5 DDBDRO CC(=O)O[C@@H]1C[C@@H]2C[C@H](Oc3ccc([N+](=O)[O-])cn3)C[C@H]1[N@@H+]2C ZINC001225634007 881951062 /nfs/dbraw/zinc/95/10/62/881951062.db2.gz COYOZRZQNGJDMB-IGQOVBAYSA-N 1 0 321.333 1.535 20 5 DDBDRO Cc1ccnc(N(C2COC2)[C@H]2CC[C@H]([NH3+])CC2)c1[N+](=O)[O-] ZINC001161276349 866485563 /nfs/dbraw/zinc/48/55/63/866485563.db2.gz AGPHAPLHWJPVQQ-HAQNSBGRSA-N 1 0 306.366 1.773 20 5 DDBDRO CCN(C(=O)COc1ccc([N+](=O)[O-])c(F)c1)[C@H]1CC[NH2+]C1 ZINC001333272032 866578518 /nfs/dbraw/zinc/57/85/18/866578518.db2.gz GHPQKBYVDSXDGU-JTQLQIEISA-N 1 0 311.313 1.323 20 5 DDBDRO Cc1nc(NC2CCN([C@@H]3CC[NH2+]C3)CC2)ccc1[N+](=O)[O-] ZINC001161464442 866685748 /nfs/dbraw/zinc/68/57/48/866685748.db2.gz WCLCVIMMHRGYIX-CYBMUJFWSA-N 1 0 305.382 1.536 20 5 DDBDRO COCCC1(CNc2ncc([N+](=O)[O-])cc2F)CC[NH2+]CC1 ZINC001161503236 866721648 /nfs/dbraw/zinc/72/16/48/866721648.db2.gz GIJCYFLPBILXAT-UHFFFAOYSA-N 1 0 312.345 1.947 20 5 DDBDRO O=[N+]([O-])c1c(NC2Cc3ccccc3C2)ncnc1C1C[NH2+]C1 ZINC001161758335 866973861 /nfs/dbraw/zinc/97/38/61/866973861.db2.gz SBWOFWPZGQGWML-UHFFFAOYSA-N 1 0 311.345 1.651 20 5 DDBDRO CCOc1nc(NC[C@H]2C[NH2+]CC(C)(C)O2)ccc1[N+](=O)[O-] ZINC001161956521 867141481 /nfs/dbraw/zinc/14/14/81/867141481.db2.gz TYBQVDINZJHMCQ-SNVBAGLBSA-N 1 0 310.354 1.567 20 5 DDBDRO CC[N@@H+]1CCC[C@H](CNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC001320963607 867155873 /nfs/dbraw/zinc/15/58/73/867155873.db2.gz VJHIBKUKEDXRQO-SNVBAGLBSA-N 1 0 308.338 1.157 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC001334220688 867396804 /nfs/dbraw/zinc/39/68/04/867396804.db2.gz BVZMIXOONCKLSS-UHFFFAOYSA-N 1 0 323.397 1.479 20 5 DDBDRO C[N@@H+]1CCC[C@](C)(Nc2cc([N+](=O)[O-])cc(Cl)[n+]2[O-])C1 ZINC001162336432 867467033 /nfs/dbraw/zinc/46/70/33/867467033.db2.gz BILCWSLBRWGOKN-LBPRGKRZSA-N 1 0 300.746 1.778 20 5 DDBDRO C[C@@H]1C[NH2+]CCC[C@H]1CNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC001162452118 867544305 /nfs/dbraw/zinc/54/43/05/867544305.db2.gz AYNCCIHOOGCNKH-ZJUUUORDSA-N 1 0 307.354 1.136 20 5 DDBDRO C[C@@H]1C[NH2+]CCC[C@H]1CNc1c[n+]([O-])c(Cl)cc1[N+](=O)[O-] ZINC001162455059 867546367 /nfs/dbraw/zinc/54/63/67/867546367.db2.gz RMPKJUAWYZQDPT-ZJUUUORDSA-N 1 0 314.773 1.929 20 5 DDBDRO [NH3+][C@H]1Cc2ccccc2N(c2ncnc3[nH]cc([N+](=O)[O-])c32)C1 ZINC001162843855 867861380 /nfs/dbraw/zinc/86/13/80/867861380.db2.gz IXMBVUIKNAOQOU-JTQLQIEISA-N 1 0 310.317 1.888 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])c(Cl)cc1N[C@@H]1COC[C@@H]1[NH3+] ZINC001162925844 867921043 /nfs/dbraw/zinc/92/10/43/867921043.db2.gz DSNWJDKNTCSUFX-WCBMZHEXSA-N 1 0 315.713 1.173 20 5 DDBDRO C[NH2+][C@H](C)CCNC(=O)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC001325318536 867940720 /nfs/dbraw/zinc/94/07/20/867940720.db2.gz JCDSXALOZSQUGN-SNVBAGLBSA-N 1 0 322.365 1.264 20 5 DDBDRO O=[N+]([O-])c1ccc(NC[C@H]2CCC3(CC[NH2+]CC3)CO2)nc1 ZINC001162955212 867943975 /nfs/dbraw/zinc/94/39/75/867943975.db2.gz AFGCTIZZNZADHY-CYBMUJFWSA-N 1 0 306.366 1.951 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NCc1nnc2n1CCC[NH2+]C2 ZINC001163017247 868006071 /nfs/dbraw/zinc/00/60/71/868006071.db2.gz BASUZEQZUVUIIW-UHFFFAOYSA-N 1 0 302.338 1.600 20 5 DDBDRO COc1cc([N+](=O)[O-])c(N[C@@H]2COCCC23C[NH2+]C3)cc1F ZINC001163073762 868055906 /nfs/dbraw/zinc/05/59/06/868055906.db2.gz QXTFUJLLZKYAIE-CYBMUJFWSA-N 1 0 311.313 1.533 20 5 DDBDRO O=[N+]([O-])c1ccc(Cl)nc1NCC[C@@H]1CCOC12C[NH2+]C2 ZINC001163090334 868079040 /nfs/dbraw/zinc/07/90/40/868079040.db2.gz UJNJLOFCBLGSFG-SECBINFHSA-N 1 0 312.757 1.824 20 5 DDBDRO CN(CCC[NH2+]Cc1ccc(F)cc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001322506069 868211700 /nfs/dbraw/zinc/21/17/00/868211700.db2.gz VECOAHHRIBPSAZ-ZIAGYGMSSA-N 1 0 309.341 1.429 20 5 DDBDRO O=[N+]([O-])c1cc[n+]([O-])c(N[C@@H]2CC[NH2+][C@H]2c2ccccc2)c1F ZINC001163209444 868216598 /nfs/dbraw/zinc/21/65/98/868216598.db2.gz HUAXEPNRFGFGBW-RISCZKNCSA-N 1 0 318.308 1.882 20 5 DDBDRO Cc1cc(NC[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)ncc1[N+](=O)[O-] ZINC001163279381 868300972 /nfs/dbraw/zinc/30/09/72/868300972.db2.gz MFVICTRVFHYPKD-DOMZBBRYSA-N 1 0 306.366 1.869 20 5 DDBDRO CNC(=O)[C@H](CCCC[NH3+])Nc1cc(Cl)cc([N+](=O)[O-])n1 ZINC001163439083 868448828 /nfs/dbraw/zinc/44/88/28/868448828.db2.gz UIHXTRRPXNDMGP-VIFPVBQESA-N 1 0 315.761 1.299 20 5 DDBDRO COc1cc(N[C@H]2CCCC[C@@]23C[NH2+]CCO3)cnc1[N+](=O)[O-] ZINC001163649724 868592111 /nfs/dbraw/zinc/59/21/11/868592111.db2.gz AQBUFXZIFVBQFK-DZGCQCFKSA-N 1 0 322.365 1.712 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@@H](O)c2cccnc2)cc1 ZINC001336704781 869101932 /nfs/dbraw/zinc/10/19/32/869101932.db2.gz VURKRQVRIDEXTO-LSDHHAIUSA-N 1 0 303.318 1.346 20 5 DDBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@H](C[NH3+])CC[C@H]1C ZINC001164468323 869213663 /nfs/dbraw/zinc/21/36/63/869213663.db2.gz QLZBERUQJQPBDH-MNOVXSKESA-N 1 0 322.365 1.730 20 5 DDBDRO CCOC(=O)c1ccnc(N2CC(C)([NH+](C)C)C2)c1[N+](=O)[O-] ZINC001165122366 869391913 /nfs/dbraw/zinc/39/19/13/869391913.db2.gz XXQNLFPXORICTE-UHFFFAOYSA-N 1 0 308.338 1.307 20 5 DDBDRO C[N@@H+]1CCC[C@@H](CCNc2ncnc3[nH]cc([N+](=O)[O-])c32)C1 ZINC001165262515 869476887 /nfs/dbraw/zinc/47/68/87/869476887.db2.gz VTDVYXVCAOTRJM-JTQLQIEISA-N 1 0 304.354 1.962 20 5 DDBDRO CC[NH+]1CCN(C2CN(c3ncc(C)cc3[N+](=O)[O-])C2)CC1 ZINC001338115253 869813958 /nfs/dbraw/zinc/81/39/58/869813958.db2.gz JYCNNSLBALOIOY-UHFFFAOYSA-N 1 0 305.382 1.124 20 5 DDBDRO CCCC1(C(=O)NCCC[NH2+]Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC001166077223 869829796 /nfs/dbraw/zinc/82/97/96/869829796.db2.gz KBXAZOLITHBEKN-UHFFFAOYSA-N 1 0 323.397 1.505 20 5 DDBDRO CC[NH+](CC)C1CCN(c2nnc(CCC[N+](=O)[O-])n2C)CC1 ZINC001338796730 870172152 /nfs/dbraw/zinc/17/21/52/870172152.db2.gz FCPGBYNKGCDPSU-UHFFFAOYSA-N 1 0 324.429 1.335 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@H](NC(=O)CC2(C)CC2)C1 ZINC001317081960 870218048 /nfs/dbraw/zinc/21/80/48/870218048.db2.gz ZJVJSLKVGYBYHR-XYPYZODXSA-N 1 0 321.381 1.255 20 5 DDBDRO COC(=O)c1cc(OC)c(OC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC001226432155 882429789 /nfs/dbraw/zinc/42/97/89/882429789.db2.gz YVWAFOJGUUSRNE-UHFFFAOYSA-N 1 0 324.333 1.863 20 5 DDBDRO [NH3+][C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC[C@H]1F ZINC001340659557 871264224 /nfs/dbraw/zinc/26/42/24/871264224.db2.gz HDWDBSGBOPZFHI-AAVRWANBSA-N 1 0 307.325 1.596 20 5 DDBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001340927936 871431093 /nfs/dbraw/zinc/43/10/93/871431093.db2.gz DSNFQIMCTVAPRL-CYUUQNCZSA-N 1 0 321.352 1.857 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@@H]1CCOCC12CCCC2 ZINC001308163434 871474666 /nfs/dbraw/zinc/47/46/66/871474666.db2.gz LDVGIWITNNYEJV-CQSZACIVSA-N 1 0 321.377 1.695 20 5 DDBDRO CNC(=O)[C@]1(C)CC[N@H+](Cc2ccc(O)c(OC)c2[N+](=O)[O-])C1 ZINC001205555934 871628234 /nfs/dbraw/zinc/62/82/34/871628234.db2.gz YKLVIOFQBPOHLL-OAHLLOKOSA-N 1 0 323.349 1.267 20 5 DDBDRO [NH3+]CC12CC(C1)CN2C(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001342130959 872024098 /nfs/dbraw/zinc/02/40/98/872024098.db2.gz VXHOSAOBUPZLJW-QRUJWNCHSA-N 1 0 301.346 1.648 20 5 DDBDRO [NH3+]CC12CC(C1)CN2C(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001342130958 872024211 /nfs/dbraw/zinc/02/42/11/872024211.db2.gz VXHOSAOBUPZLJW-HSMXMWKUSA-N 1 0 301.346 1.648 20 5 DDBDRO O=C(CCOc1ccccc1[N+](=O)[O-])NC[C@@H]1CCC[NH2+]CC1 ZINC001342858662 872413723 /nfs/dbraw/zinc/41/37/23/872413723.db2.gz OUNOOABUQTWLJP-CYBMUJFWSA-N 1 0 321.377 1.870 20 5 DDBDRO C[C@@H](NC(=O)CO[C@H]1CCC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC001344790389 873116824 /nfs/dbraw/zinc/11/68/24/873116824.db2.gz WLBNDAAQZYMESF-RISCZKNCSA-N 1 0 307.350 1.541 20 5 DDBDRO COC(=O)[C@H]1CCC[C@@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC001346243523 873663502 /nfs/dbraw/zinc/66/35/02/873663502.db2.gz GPYUVJBVCADDMU-KBPBESRZSA-N 1 0 308.334 1.905 20 5 DDBDRO C[C@@H]1C[NH2+]C[C@H]1NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC001346390834 873730532 /nfs/dbraw/zinc/73/05/32/873730532.db2.gz KLBLEOILBSGVAV-PRHODGIISA-N 1 0 312.757 1.655 20 5 DDBDRO CCc1ccc(C(=O)N2CC[C@](O)(C[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC001347428628 874136496 /nfs/dbraw/zinc/13/64/96/874136496.db2.gz JVWWXVPRYGTRKO-INIZCTEOSA-N 1 0 321.377 1.296 20 5 DDBDRO CC[C@H](C)[NH+]1CCN(c2nnc(C[N+](=O)[O-])n2CC2CC2)CC1 ZINC001348144903 874378610 /nfs/dbraw/zinc/37/86/10/874378610.db2.gz HYSJTNXJVDAFBW-LBPRGKRZSA-N 1 0 322.413 1.385 20 5 DDBDRO CCN([C@H]1CC[NH2+]C1)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC001350092236 875532366 /nfs/dbraw/zinc/53/23/66/875532366.db2.gz GGSNRIFUNSQUHC-ZDUSSCGKSA-N 1 0 313.379 1.108 20 5 DDBDRO [NH3+]C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)C(F)(F)F ZINC000401756272 876679900 /nfs/dbraw/zinc/67/99/00/876679900.db2.gz RJLPIJGDZBWPMJ-MRVPVSSYSA-N 1 0 311.647 1.868 20 5 DDBDRO Nc1ncc(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC001300131226 876970565 /nfs/dbraw/zinc/97/05/65/876970565.db2.gz ODWSCNNCXSVDSC-RYUDHWBXSA-N 1 0 319.365 1.319 20 5 DDBDRO O=C1NCCC12CC[NH+](Cc1cc(F)ccc1[N+](=O)[O-])CC2 ZINC001352941375 877026631 /nfs/dbraw/zinc/02/66/31/877026631.db2.gz LJKTXYBCPOXADW-UHFFFAOYSA-N 1 0 307.325 1.836 20 5 DDBDRO C[C@@H]1C[C@H](NC(=O)CCc2cc(F)ccc2[N+](=O)[O-])CC[NH2+]1 ZINC001357457708 879975914 /nfs/dbraw/zinc/97/59/14/879975914.db2.gz NZTWRPIGPVXBMS-ZWNOBZJWSA-N 1 0 309.341 1.923 20 5 DDBDRO CC[N@@H+]1CC[C@H](O[C@H](C(=O)OC)c2ccccc2[N+](=O)[O-])C1 ZINC001223641643 881037498 /nfs/dbraw/zinc/03/74/98/881037498.db2.gz BWAWFJWQFFSOLE-FZMZJTMJSA-N 1 0 308.334 1.920 20 5 DDBDRO COc1cccc(CO[C@H]2C[C@@H]3CC(=O)C[C@H]2[N@@H+]3C)c1[N+](=O)[O-] ZINC001223812892 881106949 /nfs/dbraw/zinc/10/69/49/881106949.db2.gz RLUISUQMTHJRFZ-LNSITVRQSA-N 1 0 320.345 1.924 20 5 DDBDRO C[N@@H+]1[C@@H]2C[C@H](OCCc3ccc([N+](=O)[O-])cc3)[C@H]1CC(=O)C2 ZINC001224331279 881332264 /nfs/dbraw/zinc/33/22/64/881332264.db2.gz ONZDRETXIYNMIX-IMJJTQAJSA-N 1 0 304.346 1.958 20 5 DDBDRO CC[N@@H+]1CC[C@H](Oc2[nH]c(=O)nc3cc([N+](=O)[O-])ccc32)C1 ZINC001228242786 883403292 /nfs/dbraw/zinc/40/32/92/883403292.db2.gz RQCCDTDCWGZGRN-JTQLQIEISA-N 1 0 304.306 1.717 20 5 DDBDRO C[N@@H+]1CCC[C@H](Oc2[nH]c(=O)nc3cc([N+](=O)[O-])ccc32)C1 ZINC001228242706 883404007 /nfs/dbraw/zinc/40/40/07/883404007.db2.gz RDCYPXLCQHTGFP-JTQLQIEISA-N 1 0 304.306 1.717 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1nc2cnccc2n1C1CC1 ZINC001228600591 883568025 /nfs/dbraw/zinc/56/80/25/883568025.db2.gz ATQDKQZPRLBJBC-GFCCVEGCSA-N 1 0 319.385 1.129 20 5 DDBDRO Cc1cc(OC(=O)C[C@@H](O)C[N+](C)(C)C)nc2ncccc12 ZINC001228620694 883578862 /nfs/dbraw/zinc/57/88/62/883578862.db2.gz XIDHSDRGLBGOQM-GFCCVEGCSA-N 1 0 304.370 1.301 20 5 DDBDRO Cc1cc(O)c(O[C@H]2C[C@@H]3CC(=O)C[C@H]2N3C)cc1[N+](=O)[O-] ZINC001229750722 884144816 /nfs/dbraw/zinc/14/48/16/884144816.db2.gz QRLDBRKPPJIUCY-BHYNMZESSA-N 1 0 306.318 1.792 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cnc2cccc(F)c2c1 ZINC001231136383 885274449 /nfs/dbraw/zinc/27/44/49/885274449.db2.gz ZMUBFNBXZFHYKP-LLVKDONJSA-N 1 0 307.345 1.737 20 5 DDBDRO CSc1ccc(F)cc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001234218104 887760141 /nfs/dbraw/zinc/76/01/41/887760141.db2.gz LIGDRAJCADSTOV-LLVKDONJSA-N 1 0 302.391 1.910 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1c(Cl)ccc(O)c1F ZINC001234263664 887801152 /nfs/dbraw/zinc/80/11/52/887801152.db2.gz FZUBNSPYMHVBCD-MRVPVSSYSA-O 1 0 306.741 1.547 20 5 DDBDRO C[C@@H](CNC(=O)c1cnc(N)c([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](C)C1 ZINC001290900462 913537350 /nfs/dbraw/zinc/53/73/50/913537350.db2.gz UYGRNIOCIRWHMR-QWRGUYRKSA-N 1 0 321.381 1.422 20 5 DDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001246616684 892737402 /nfs/dbraw/zinc/73/74/02/892737402.db2.gz CRRBIFUQMQNCCO-COXVUDFISA-N 1 0 318.421 1.552 20 5 DDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCN[C@]2(CC[NH2+]C2)C1 ZINC001246638820 892761382 /nfs/dbraw/zinc/76/13/82/892761382.db2.gz UNSOLQHKJBNOBN-BBRMVZONSA-N 1 0 304.394 1.163 20 5 DDBDRO COC(=O)[C@@H]1C[C@H]([NH3+])CN1[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001246908076 892983165 /nfs/dbraw/zinc/98/31/65/892983165.db2.gz UIVRZUILZQLROZ-JKOKRWQUSA-N 1 0 307.350 1.100 20 5 DDBDRO CC(C)N1C[C@@H]([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1=O ZINC001254573784 896508721 /nfs/dbraw/zinc/50/87/21/896508721.db2.gz CFMHKXWEQYPOCB-KGLIPLIRSA-N 1 0 303.362 1.661 20 5 DDBDRO C[C@@]1([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCS(=O)(=O)C1 ZINC001254578808 896511478 /nfs/dbraw/zinc/51/14/78/896511478.db2.gz NWABGOASHSSOBA-GXTWGEPZSA-N 1 0 310.375 1.229 20 5 DDBDRO CN1CCO[C@H]2C[N@@H+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C[C@H]21 ZINC001254593921 896521047 /nfs/dbraw/zinc/52/10/47/896521047.db2.gz BULMUPHZKPLLIM-OAGGEKHMSA-N 1 0 303.362 1.077 20 5 DDBDRO O=C1NC[C@]2(CCC[N@@H+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)O1 ZINC001254603452 896526594 /nfs/dbraw/zinc/52/65/94/896526594.db2.gz NGPTYYNHPHAOIR-HOCLYGCPSA-N 1 0 317.345 1.636 20 5 DDBDRO C[C@@H](C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)N1CCCCC1=O ZINC001262572757 900254533 /nfs/dbraw/zinc/25/45/33/900254533.db2.gz CPELQQODHMSLKU-WFASDCNBSA-N 1 0 321.377 1.619 20 5 DDBDRO C[NH2+][C@@H](C)CCNC(=O)NC[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001262584843 900261739 /nfs/dbraw/zinc/26/17/39/900261739.db2.gz MOGNXYNRNTZHFU-RYUDHWBXSA-N 1 0 308.382 1.996 20 5 DDBDRO Cc1ccc(CNC(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1[N+](=O)[O-] ZINC001262588331 900264033 /nfs/dbraw/zinc/26/40/33/900264033.db2.gz CLWWNCZOCMTQKQ-UONOGXRCSA-N 1 0 318.377 1.654 20 5 DDBDRO O=[N+]([O-])c1ccc(NC[C@@]2(CO)COC[C@@H]3CCC[N@@H+]32)cc1 ZINC001262725150 900337029 /nfs/dbraw/zinc/33/70/29/900337029.db2.gz OPXUJHNKHHJWFL-LSDHHAIUSA-N 1 0 307.350 1.232 20 5 DDBDRO C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1N)C(C)(C)C[NH+](C)C ZINC001293652104 914610285 /nfs/dbraw/zinc/61/02/85/914610285.db2.gz ZOPGHFVNBLDLMB-JTQLQIEISA-N 1 0 308.382 1.883 20 5 DDBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2c([N+](=O)[O-])cnn2C)C1 ZINC000162232326 197553620 /nfs/dbraw/zinc/55/36/20/197553620.db2.gz BNPDGSHLSLYNMD-VXGBXAGGSA-N 1 0 323.397 1.426 20 5 DDBDRO C[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000162632513 197581033 /nfs/dbraw/zinc/58/10/33/197581033.db2.gz ABDTVZOOSJDCNS-SCRDCRAPSA-N 1 0 310.350 1.349 20 5 DDBDRO C[C@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@H]1CCOC1 ZINC000162807249 197593080 /nfs/dbraw/zinc/59/30/80/197593080.db2.gz IQXDGRQOCSKJBO-AAEUAGOBSA-N 1 0 319.361 1.499 20 5 DDBDRO CCN(CCC[NH+](C)C)c1nc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000286554951 219051924 /nfs/dbraw/zinc/05/19/24/219051924.db2.gz DWLRPYWNCKGWSM-UHFFFAOYSA-N 1 0 310.354 1.554 20 5 DDBDRO O=C(NC[C@H]1CCCC[N@H+]1CCO)c1cccc([N+](=O)[O-])c1 ZINC000452395976 231376800 /nfs/dbraw/zinc/37/68/00/231376800.db2.gz XNXQBQWXHKBLMA-CQSZACIVSA-N 1 0 307.350 1.171 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000452395052 231376971 /nfs/dbraw/zinc/37/69/71/231376971.db2.gz VZJZPJYSFNBUNV-CQSZACIVSA-N 1 0 321.377 1.480 20 5 DDBDRO C[C@H](c1ccccc1)[C@H](C)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000181538636 199314117 /nfs/dbraw/zinc/31/41/17/199314117.db2.gz UXNABOXEBFOIOG-XEZPLFJOSA-N 1 0 318.377 1.934 20 5 DDBDRO COc1cc(NC[C@H](C)N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000266422727 282302468 /nfs/dbraw/zinc/30/24/68/282302468.db2.gz SHCFYVYDMORFAT-LBPRGKRZSA-N 1 0 308.382 1.651 20 5 DDBDRO COC(=O)c1cc(N2CC[N@H+](C)C[C@@H]2C)cc(C)c1[N+](=O)[O-] ZINC000615494270 362307175 /nfs/dbraw/zinc/30/71/75/362307175.db2.gz LSTBMBXALMFBRN-NSHDSACASA-N 1 0 307.350 1.830 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H](O)CC1 ZINC000293025980 282361284 /nfs/dbraw/zinc/36/12/84/282361284.db2.gz FVSVUIIQRSXRBT-QWHCGFSZSA-N 1 0 310.350 1.181 20 5 DDBDRO C[C@@H]1C[C@H](NC(=O)COc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000330918570 232161441 /nfs/dbraw/zinc/16/14/41/232161441.db2.gz XMDBFEPJPFLFJU-VXGBXAGGSA-N 1 0 307.350 1.573 20 5 DDBDRO C[C@@H](C[NH+](C)C)NC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000286853142 219195863 /nfs/dbraw/zinc/19/58/63/219195863.db2.gz BISIYSZZJTXMNF-ZETCQYMHSA-N 1 0 309.351 1.279 20 5 DDBDRO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C1(CO)CCOCC1 ZINC000616828677 362836730 /nfs/dbraw/zinc/83/67/30/362836730.db2.gz CXEVTXHMGZPWED-UHFFFAOYSA-N 1 0 321.333 1.709 20 5 DDBDRO [NH3+]C[C@@H]1CC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000420443064 302384892 /nfs/dbraw/zinc/38/48/92/302384892.db2.gz ABKCXAYLASLLTK-SFYZADRCSA-N 1 0 305.381 1.062 20 5 DDBDRO CC[C@@]1([NH2+]CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CCOC1 ZINC000616866110 362854103 /nfs/dbraw/zinc/85/41/03/362854103.db2.gz OLUZSEYQMCMCNM-MRXNPFEDSA-N 1 0 319.361 1.643 20 5 DDBDRO [NH3+]C[C@@H](NC(=O)CCn1cc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000155675762 186101804 /nfs/dbraw/zinc/10/18/04/186101804.db2.gz NMVBGLPYXQQZQO-CYBMUJFWSA-N 1 0 309.370 1.205 20 5 DDBDRO Cc1cc(S(=O)(=O)N2CC[C@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000172020355 198028136 /nfs/dbraw/zinc/02/81/36/198028136.db2.gz INJRRIKKVAEBCQ-NSHDSACASA-N 1 0 313.379 1.228 20 5 DDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@@]2(O)CCOC2)n1 ZINC000331571654 233846241 /nfs/dbraw/zinc/84/62/41/233846241.db2.gz IUVNRDKIJREAQK-BZPMIXESSA-N 1 0 310.354 1.016 20 5 DDBDRO CC(C)[N@H+](C)CCCNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000041929301 352318700 /nfs/dbraw/zinc/31/87/00/352318700.db2.gz OOHMKXCXPMQEAF-UHFFFAOYSA-N 1 0 309.366 1.820 20 5 DDBDRO Cc1cccc(C[NH+]2CCC(NC(=O)[C@H]3C[C@@H]3[N+](=O)[O-])CC2)c1 ZINC000053506615 352659518 /nfs/dbraw/zinc/65/95/18/352659518.db2.gz DXIBHCWGSSQEQO-HOTGVXAUSA-N 1 0 317.389 1.741 20 5 DDBDRO C[NH+](C)C1(CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)CCCC1 ZINC000056527761 352776558 /nfs/dbraw/zinc/77/65/58/352776558.db2.gz QIAZDSNWNNDSID-UHFFFAOYSA-N 1 0 306.366 1.781 20 5 DDBDRO COCC[N@@H+]1CC[C@H](NC(=O)/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000491559440 234202740 /nfs/dbraw/zinc/20/27/40/234202740.db2.gz ALRYNXZWEOXSGJ-AFNCTOJWSA-N 1 0 319.361 1.445 20 5 DDBDRO CCOC[C@@H]1CCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000072977168 191261270 /nfs/dbraw/zinc/26/12/70/191261270.db2.gz VBUIJGMBZHQSDZ-GFCCVEGCSA-N 1 0 321.377 1.942 20 5 DDBDRO COc1ccc(OCCN2CC[NH+](C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000173579520 198229724 /nfs/dbraw/zinc/22/97/24/198229724.db2.gz HALJCFJWNZXNSV-UHFFFAOYSA-N 1 0 321.377 1.762 20 5 DDBDRO CCc1n[nH]c(C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000174321518 198319469 /nfs/dbraw/zinc/31/94/69/198319469.db2.gz VBIKHVAJGDKCAG-NSHDSACASA-N 1 0 321.381 1.438 20 5 DDBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000174534638 198348772 /nfs/dbraw/zinc/34/87/72/198348772.db2.gz MUWRMJKOXFZQHR-CQSZACIVSA-N 1 0 305.378 1.938 20 5 DDBDRO Cc1c(NC(=O)CC[N@@H+]2CC[C@@H](CO)C2)cccc1[N+](=O)[O-] ZINC000174703881 198373091 /nfs/dbraw/zinc/37/30/91/198373091.db2.gz FBDHPAMSJHYYHN-GFCCVEGCSA-N 1 0 307.350 1.546 20 5 DDBDRO Cc1cnc(N(C)CCCN2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000078662072 353527374 /nfs/dbraw/zinc/52/73/74/353527374.db2.gz GJWWZIYLPMZBGC-UHFFFAOYSA-N 1 0 307.398 1.372 20 5 DDBDRO COC1CC[NH+](CCNC(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000079682213 353573123 /nfs/dbraw/zinc/57/31/23/353573123.db2.gz LMTSZHXALNTGCK-UHFFFAOYSA-N 1 0 321.377 1.744 20 5 DDBDRO COc1cc(N2CC[NH+](C(C)(C)CO)CC2)ccc1[N+](=O)[O-] ZINC000080983177 353642764 /nfs/dbraw/zinc/64/27/64/353642764.db2.gz MTKHCZIQDSJIAU-UHFFFAOYSA-N 1 0 309.366 1.496 20 5 DDBDRO Cc1c(C[N@H+](C)C[C@@H](O)CN2CCOCC2)cccc1[N+](=O)[O-] ZINC000083244979 353709152 /nfs/dbraw/zinc/70/91/52/353709152.db2.gz ZEZWHDJFHOANEX-OAHLLOKOSA-N 1 0 323.393 1.028 20 5 DDBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3C[C@@H](O)[C@@H](O)C3)s2)cc1 ZINC000093483525 353901684 /nfs/dbraw/zinc/90/16/84/353901684.db2.gz UQKGWDYLRUQTNG-OKILXGFUSA-N 1 0 320.370 1.861 20 5 DDBDRO CCCN(C(=O)COc1ccc([N+](=O)[O-])cc1)C1CC[NH2+]CC1 ZINC000236793989 202011337 /nfs/dbraw/zinc/01/13/37/202011337.db2.gz OZCZXQWXCYWQEP-UHFFFAOYSA-N 1 0 321.377 1.964 20 5 DDBDRO CCOc1ccc(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000162203268 354246075 /nfs/dbraw/zinc/24/60/75/354246075.db2.gz IILWUHFRFKYXJT-NEPJUHHUSA-N 1 0 307.350 1.993 20 5 DDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCC1(C[NH3+])CC1 ZINC000404827931 354676375 /nfs/dbraw/zinc/67/63/75/354676375.db2.gz HDXMQEDMBPAWHT-UHFFFAOYSA-N 1 0 313.379 1.311 20 5 DDBDRO CCO[C@@H]1CN(C(=O)c2cccc(C)c2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000405348437 354678551 /nfs/dbraw/zinc/67/85/51/354678551.db2.gz RWURVYUHJLEFGW-DGCLKSJQSA-N 1 0 307.350 1.339 20 5 DDBDRO C[N@@H+]1CCCC12CCN(c1cc(N)c([N+](=O)[O-])c(CO)c1)CC2 ZINC000588011474 354893256 /nfs/dbraw/zinc/89/32/56/354893256.db2.gz UEKPRZHXPBNXKA-UHFFFAOYSA-N 1 0 320.393 1.734 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000588863024 354944543 /nfs/dbraw/zinc/94/45/43/354944543.db2.gz NYGMJSNDNLUBLN-UONOGXRCSA-N 1 0 319.361 1.184 20 5 DDBDRO O=[N+]([O-])c1ccc(OCCC[N@H+]2CC[C@H](CO)[C@@H](O)C2)cc1 ZINC000588966438 354952549 /nfs/dbraw/zinc/95/25/49/354952549.db2.gz ZIMUGFGVIKAJEX-DOMZBBRYSA-N 1 0 310.350 1.039 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[C@H](C[NH+](C)C)C2)c1 ZINC000589499951 354997101 /nfs/dbraw/zinc/99/71/01/354997101.db2.gz LSAOMFLDLGDMJM-GFCCVEGCSA-N 1 0 321.377 1.765 20 5 DDBDRO C[N@@H+]1C[C@H]2CCN(C(=O)c3cc4c(cc3[N+](=O)[O-])OCO4)[C@@H]2C1 ZINC000590441781 355095504 /nfs/dbraw/zinc/09/55/04/355095504.db2.gz FCGFGKYRIZNOIE-BXKDBHETSA-N 1 0 319.317 1.100 20 5 DDBDRO C[N@@H+]1C[C@H]2CCN(C(=O)COc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000590443362 355097899 /nfs/dbraw/zinc/09/78/99/355097899.db2.gz IMZHFRHEEDPNJG-BXUZGUMPSA-N 1 0 305.334 1.136 20 5 DDBDRO C[C@H]1CN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000590452373 355100468 /nfs/dbraw/zinc/10/04/68/355100468.db2.gz BNIRHWZXANYHLC-SNVBAGLBSA-N 1 0 307.354 1.264 20 5 DDBDRO C[N@@H+]1CCO[C@H]2CN(c3nccc4c3cccc4[N+](=O)[O-])C[C@@H]21 ZINC000590694449 355149591 /nfs/dbraw/zinc/14/95/91/355149591.db2.gz HUHDAXRSLLDTNV-GJZGRUSLSA-N 1 0 314.345 1.662 20 5 DDBDRO Cc1cc(NC[C@@H]2CCCNC2=O)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000591183122 355261734 /nfs/dbraw/zinc/26/17/34/355261734.db2.gz LLBOHTABTWAYJD-NSHDSACASA-N 1 0 314.345 1.811 20 5 DDBDRO C[NH2+]C[C@@H]1CCCN1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000591351629 355295894 /nfs/dbraw/zinc/29/58/94/355295894.db2.gz BTLBLWPPJNEPMM-ZDUSSCGKSA-N 1 0 322.365 1.367 20 5 DDBDRO [NH3+]CC[C@H](NCc1cc2c(cc1[N+](=O)[O-])OCCO2)C(F)F ZINC000591281393 355276980 /nfs/dbraw/zinc/27/69/80/355276980.db2.gz FYRPFTUTZBDEHW-VIFPVBQESA-N 1 0 317.292 1.438 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000591299354 355283507 /nfs/dbraw/zinc/28/35/07/355283507.db2.gz JAMHLJPUYNFOSH-GWCFXTLKSA-N 1 0 320.349 1.819 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000591301643 355284147 /nfs/dbraw/zinc/28/41/47/355284147.db2.gz LGQVUAXGBHKZRW-FZMZJTMJSA-N 1 0 322.365 1.792 20 5 DDBDRO CCC[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccn1 ZINC000591734510 355374944 /nfs/dbraw/zinc/37/49/44/355374944.db2.gz IJWMIWFACWXQJW-ZIAGYGMSSA-N 1 0 319.365 1.678 20 5 DDBDRO CC1(C)C[NH2+]CCN1C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000591678545 355360057 /nfs/dbraw/zinc/36/00/57/355360057.db2.gz XBNWOHVBAIGALN-UHFFFAOYSA-N 1 0 307.306 1.148 20 5 DDBDRO CN(CC(=O)N1CC[NH2+]CC1(C)C)c1ccccc1[N+](=O)[O-] ZINC000591678546 355360392 /nfs/dbraw/zinc/36/03/92/355360392.db2.gz XGBIWOGOZMMBFX-UHFFFAOYSA-N 1 0 306.366 1.241 20 5 DDBDRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1c1c(F)cccc1[N+](=O)[O-] ZINC000591986926 355453745 /nfs/dbraw/zinc/45/37/45/355453745.db2.gz YVXWVNJMHRGESQ-JTQLQIEISA-N 1 0 310.329 1.290 20 5 DDBDRO COc1cccc(N2CCOC3(CC[NH+](C)CC3)C2)c1[N+](=O)[O-] ZINC000591992759 355455902 /nfs/dbraw/zinc/45/59/02/355455902.db2.gz UERMFMGSFRJMRK-UHFFFAOYSA-N 1 0 321.377 1.904 20 5 DDBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000592217246 355542414 /nfs/dbraw/zinc/54/24/14/355542414.db2.gz CWIXFPNMXWESHD-WDEREUQCSA-N 1 0 306.366 1.788 20 5 DDBDRO CN(CCC[NH3+])CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000592473655 355592619 /nfs/dbraw/zinc/59/26/19/355592619.db2.gz MFASMVSKQHNPEA-UHFFFAOYSA-N 1 0 300.746 1.467 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC(C)([NH3+])CC1 ZINC000592484887 355596046 /nfs/dbraw/zinc/59/60/46/355596046.db2.gz GTPHFKIFEDCIRT-UHFFFAOYSA-N 1 0 306.366 1.655 20 5 DDBDRO CC[NH2+]CCCNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000592365996 355567933 /nfs/dbraw/zinc/56/79/33/355567933.db2.gz PFZQEFIBDQVTLZ-UHFFFAOYSA-N 1 0 301.368 1.014 20 5 DDBDRO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592554102 355627184 /nfs/dbraw/zinc/62/71/84/355627184.db2.gz CUQHFTWDGDNQJQ-NEPJUHHUSA-N 1 0 306.366 1.775 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000592750873 355675017 /nfs/dbraw/zinc/67/50/17/355675017.db2.gz CENRJBHFCJJARB-ZWNOBZJWSA-N 1 0 307.350 1.560 20 5 DDBDRO CC[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CCCOC1 ZINC000593070265 355786446 /nfs/dbraw/zinc/78/64/46/355786446.db2.gz VYTWCBRCFGPTNF-GJZGRUSLSA-N 1 0 324.377 1.835 20 5 DDBDRO CN(CC[NH+]1CCCCC1)c1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000593515371 355910118 /nfs/dbraw/zinc/91/01/18/355910118.db2.gz GTRUUWIVWHQFSF-UHFFFAOYSA-N 1 0 306.366 1.616 20 5 DDBDRO CN(CC[NH+]1CCCCC1)C(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000593883997 356040991 /nfs/dbraw/zinc/04/09/91/356040991.db2.gz PTMCTFQXPFDRSC-UHFFFAOYSA-N 1 0 324.356 1.874 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1 ZINC000593914943 356057478 /nfs/dbraw/zinc/05/74/78/356057478.db2.gz QJJSWPNGUNKXLL-ZBEGNZNMSA-N 1 0 319.361 1.804 20 5 DDBDRO O=C(CN1C[C@H]2CC[C@@H](C1)[NH2+]2)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000601329902 358500263 /nfs/dbraw/zinc/50/02/63/358500263.db2.gz OJMLOOKJGLEAGK-PHIMTYICSA-N 1 0 324.768 1.623 20 5 DDBDRO C[C@H](O)C[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000594063570 356103935 /nfs/dbraw/zinc/10/39/35/356103935.db2.gz IGXQALUFLNGGLL-WCQYABFASA-N 1 0 310.350 1.180 20 5 DDBDRO COc1cccc(C(=O)N[C@H](C[NH3+])C(F)(F)F)c1[N+](=O)[O-] ZINC000594451152 356221733 /nfs/dbraw/zinc/22/17/33/356221733.db2.gz MSVLBKFJWVSWSK-MRVPVSSYSA-N 1 0 307.228 1.223 20 5 DDBDRO Nc1c(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)cccc1[N+](=O)[O-] ZINC000594419173 356204550 /nfs/dbraw/zinc/20/45/50/356204550.db2.gz OJMRLSQAHZWMIK-STQMWFEESA-N 1 0 318.377 1.924 20 5 DDBDRO Nc1c(C(=O)N2CC[NH2+]C3(CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000594629005 356269571 /nfs/dbraw/zinc/26/95/71/356269571.db2.gz VDHDAKOCODNAMR-UHFFFAOYSA-N 1 0 318.377 1.925 20 5 DDBDRO O=[N+]([O-])c1cccc(CC[NH2+]C2CCN([C@H]3CCOC3)CC2)c1 ZINC000594503156 356238851 /nfs/dbraw/zinc/23/88/51/356238851.db2.gz UQBMHUMJRHQABX-KRWDZBQOSA-N 1 0 319.405 1.980 20 5 DDBDRO COc1cc(C[NH2+]C[C@@H](CO)CC2CC2)c([N+](=O)[O-])cc1O ZINC000594981918 356367430 /nfs/dbraw/zinc/36/74/30/356367430.db2.gz CDKOWWNWGAVYBL-NSHDSACASA-N 1 0 310.350 1.807 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](C)CN1CCOCC1 ZINC000595013723 356371891 /nfs/dbraw/zinc/37/18/91/356371891.db2.gz RVAXBQZSETVYCC-OLZOCXBDSA-N 1 0 323.393 1.975 20 5 DDBDRO C[C@H]([NH2+]C[C@@]1(OCCO)CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000595078209 356378758 /nfs/dbraw/zinc/37/87/58/356378758.db2.gz MVYXKAKWNRVNLJ-WFASDCNBSA-N 1 0 310.350 1.413 20 5 DDBDRO O=C(C[C@@H]1[NH2+]Cc2ccccc21)NCCn1cc([N+](=O)[O-])cn1 ZINC000595251864 356418851 /nfs/dbraw/zinc/41/88/51/356418851.db2.gz YNBBWEUNWZLROJ-AWEZNQCLSA-N 1 0 315.333 1.142 20 5 DDBDRO C[C@@H]1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000595263724 356425322 /nfs/dbraw/zinc/42/53/22/356425322.db2.gz LGOUEMCOALMAGO-RISCZKNCSA-N 1 0 306.366 1.864 20 5 DDBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])nc2C)C1 ZINC000081333217 192252228 /nfs/dbraw/zinc/25/22/28/192252228.db2.gz NNTAXTWVIBHPSW-ZDUSSCGKSA-N 1 0 323.397 1.290 20 5 DDBDRO Cc1noc(CN2CCOCC3(CCOCC3)C2)c1[N+](=O)[O-] ZINC000595423653 356486246 /nfs/dbraw/zinc/48/62/46/356486246.db2.gz FZUXQUPMLIHTPV-UHFFFAOYSA-N 1 0 311.338 1.520 20 5 DDBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000081333193 192252539 /nfs/dbraw/zinc/25/25/39/192252539.db2.gz NLTNKQRVMHQPIA-ZDUSSCGKSA-N 1 0 323.397 1.372 20 5 DDBDRO COC[C@H](C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)OC ZINC000595370248 356468278 /nfs/dbraw/zinc/46/82/78/356468278.db2.gz FYIHJIZBXWPYNJ-AAEUAGOBSA-N 1 0 310.354 1.137 20 5 DDBDRO O=[N+]([O-])c1cccc(-c2noc(C[NH2+][C@@H](CO)C3CCC3)n2)c1 ZINC000595615588 356577485 /nfs/dbraw/zinc/57/74/85/356577485.db2.gz JDGKEDXLKUGPBB-ZDUSSCGKSA-N 1 0 318.333 1.895 20 5 DDBDRO CC[C@H](C)[C@H]([NH3+])C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000237011555 202122096 /nfs/dbraw/zinc/12/20/96/202122096.db2.gz JKSBZNFYNNBZHD-WFASDCNBSA-N 1 0 320.393 1.617 20 5 DDBDRO CN(C(=O)C[N@@H+]1C[C@@H]2COC[C@]2(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000595756463 356638677 /nfs/dbraw/zinc/63/86/77/356638677.db2.gz GGPQELHCEMFEBK-WBMJQRKESA-N 1 0 319.361 1.526 20 5 DDBDRO C[C@]12COC[C@@H]1C[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C2 ZINC000595758441 356639447 /nfs/dbraw/zinc/63/94/47/356639447.db2.gz MYBJAFYYLDLOPZ-ZENOOKHLSA-N 1 0 322.361 1.303 20 5 DDBDRO C[C@]12COC[C@@H]1C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C2 ZINC000595761679 356641849 /nfs/dbraw/zinc/64/18/49/356641849.db2.gz ZBHXHELHKJDLTN-WFASDCNBSA-N 1 0 305.334 1.162 20 5 DDBDRO C[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@]1(C)CO ZINC000595876237 356688309 /nfs/dbraw/zinc/68/83/09/356688309.db2.gz RCSWIXFKNAAHQK-MLGOLLRUSA-N 1 0 321.377 1.874 20 5 DDBDRO COCC1([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)CCCCC1 ZINC000595909151 356701626 /nfs/dbraw/zinc/70/16/26/356701626.db2.gz MWMYWBPKCAOXKA-UHFFFAOYSA-N 1 0 309.366 1.695 20 5 DDBDRO CC1(C)CC[NH2+][C@@H]1C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000595922559 356705686 /nfs/dbraw/zinc/70/56/86/356705686.db2.gz GYEWDXNTTOSQKQ-CYBMUJFWSA-N 1 0 306.366 1.511 20 5 DDBDRO C[C@@]1(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC[NH2+]C1 ZINC000595992802 356739170 /nfs/dbraw/zinc/73/91/70/356739170.db2.gz SNUXJJLRIZVEEL-OAHLLOKOSA-N 1 0 304.350 1.651 20 5 DDBDRO CCCN1CC[C@@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000596067269 356760127 /nfs/dbraw/zinc/76/01/27/356760127.db2.gz YGPNBXUNMFOTCT-KGLIPLIRSA-N 1 0 323.393 1.408 20 5 DDBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCC12CC(C1)C[NH2+]2 ZINC000596108934 356775101 /nfs/dbraw/zinc/77/51/01/356775101.db2.gz QOFABQBAZVRNBW-OPGSHWCFSA-N 1 0 318.377 1.654 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000596127433 356783332 /nfs/dbraw/zinc/78/33/32/356783332.db2.gz ZTAVOMCWAHVTPU-CQSZACIVSA-N 1 0 308.338 1.867 20 5 DDBDRO CN(CCC[NH+](C)C)CCNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000596453974 356884551 /nfs/dbraw/zinc/88/45/51/356884551.db2.gz PEVXALXNJIDNJV-UHFFFAOYSA-N 1 0 323.397 1.600 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000596539344 356911230 /nfs/dbraw/zinc/91/12/30/356911230.db2.gz OWZYBHRZVFBSHM-CQSZACIVSA-N 1 0 305.378 1.939 20 5 DDBDRO C[NH2+]C[C@@H]1CCCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000237249693 202204815 /nfs/dbraw/zinc/20/48/15/202204815.db2.gz HFWJJXCGKUJCLZ-JTQLQIEISA-N 1 0 317.349 1.543 20 5 DDBDRO CCC[N@@H+]1CC[C@@H](NC(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])C1 ZINC000598343861 357546414 /nfs/dbraw/zinc/54/64/14/357546414.db2.gz WYEAXESMVXJHCR-SNVBAGLBSA-N 1 0 309.370 1.655 20 5 DDBDRO COC(=O)c1ccnc(N2C[C@@H](C)N(C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000598628153 357660675 /nfs/dbraw/zinc/66/06/75/357660675.db2.gz OMZHWJADSRMIKA-AOOOYVTPSA-N 1 0 308.338 1.305 20 5 DDBDRO C[C@@H]1CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1CO ZINC000598643498 357666296 /nfs/dbraw/zinc/66/62/96/357666296.db2.gz LMUYIPKAVOKOKM-NFAWXSAZSA-N 1 0 324.377 1.285 20 5 DDBDRO C[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@@H]1CO ZINC000598645107 357667305 /nfs/dbraw/zinc/66/73/05/357667305.db2.gz DOKXKCKRNLTKSL-SMDDNHRTSA-N 1 0 322.361 1.912 20 5 DDBDRO O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000598561310 357632989 /nfs/dbraw/zinc/63/29/89/357632989.db2.gz PQCAJDRDFZKVKD-ZDUSSCGKSA-N 1 0 321.381 1.030 20 5 DDBDRO CC(C)[C@@H]1CN(C(=O)CNc2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000598571263 357636003 /nfs/dbraw/zinc/63/60/03/357636003.db2.gz IRIHHNQOCQKFHC-ZDUSSCGKSA-N 1 0 306.366 1.463 20 5 DDBDRO CC1(C)CCC[N@@H+]1CCNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000598740668 357711090 /nfs/dbraw/zinc/71/10/90/357711090.db2.gz VGXCKGJETJDVCH-UHFFFAOYSA-N 1 0 308.338 1.300 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000598680470 357684964 /nfs/dbraw/zinc/68/49/64/357684964.db2.gz CBEGGWVPNGMCKK-WBMJQRKESA-N 1 0 318.377 1.655 20 5 DDBDRO Cc1cc(NC[C@@H](O)[C@@H]2CCCO2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000599131716 357824879 /nfs/dbraw/zinc/82/48/79/357824879.db2.gz BDEVOHNTQIVHNA-CVEARBPZSA-N 1 0 317.345 1.825 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCN1CC[C@H](O)C1)CCC2 ZINC000599092068 357813530 /nfs/dbraw/zinc/81/35/30/357813530.db2.gz DVSJKNBTEGGDRS-HOCLYGCPSA-N 1 0 305.378 1.628 20 5 DDBDRO O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H]2CC[NH2+]C23CCC3)c1 ZINC000599101572 357816064 /nfs/dbraw/zinc/81/60/64/357816064.db2.gz LRVNDFGKHLOHFH-GFCCVEGCSA-N 1 0 311.363 1.158 20 5 DDBDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000272223249 209603205 /nfs/dbraw/zinc/60/32/05/209603205.db2.gz IVWWLECLCFLTDL-QWRGUYRKSA-N 1 0 309.391 1.883 20 5 DDBDRO O=[N+]([O-])c1ccc(OCCN2CC[NH+](CCCF)CC2)cc1 ZINC000599669621 358017025 /nfs/dbraw/zinc/01/70/25/358017025.db2.gz MJJRLKKYFSHLQH-UHFFFAOYSA-N 1 0 311.357 1.951 20 5 DDBDRO O=C(CC[N@H+]1CC[C@@H]2CC[C@@H](O)[C@@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000599680555 358022832 /nfs/dbraw/zinc/02/28/32/358022832.db2.gz GJAVMWSPAOGPFP-SGIREYDYSA-N 1 0 319.361 1.769 20 5 DDBDRO CC(=O)NC[C@H]1CCCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000599704194 358033326 /nfs/dbraw/zinc/03/33/26/358033326.db2.gz QKGOGXSPNJXWMT-OAHLLOKOSA-N 1 0 321.377 1.964 20 5 DDBDRO C[NH2+]C[C@H]1CCCN(C(=O)c2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000237313045 202228132 /nfs/dbraw/zinc/22/81/32/202228132.db2.gz RJLQETCNHRLTAC-LLVKDONJSA-N 1 0 307.350 1.675 20 5 DDBDRO O=C(NCC[NH+]1CCCCC1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000180470457 199163056 /nfs/dbraw/zinc/16/30/56/199163056.db2.gz ICWVECNQKIRLTF-UHFFFAOYSA-N 1 0 321.333 1.539 20 5 DDBDRO C[NH2+]CC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CC1 ZINC000237348090 202240726 /nfs/dbraw/zinc/24/07/26/202240726.db2.gz OUEGVEYZGMDUHP-UHFFFAOYSA-N 1 0 320.393 1.732 20 5 DDBDRO [NH3+]C[C@@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)[C@@H]1C(F)(F)F ZINC000600737658 358302184 /nfs/dbraw/zinc/30/21/84/358302184.db2.gz HPCYMNWXLLNMNI-ONGXEEELSA-N 1 0 321.303 1.393 20 5 DDBDRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000237414600 202259175 /nfs/dbraw/zinc/25/91/75/202259175.db2.gz BDRRWEQDYGBHEO-RYUDHWBXSA-N 1 0 307.350 1.559 20 5 DDBDRO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NC[C@H]1CCC[N@@H+]1C ZINC000601109810 358405235 /nfs/dbraw/zinc/40/52/35/358405235.db2.gz ZPXLFDRYGWENPJ-SSDOTTSWSA-N 1 0 307.276 1.853 20 5 DDBDRO C[N@H+](CCCO)C1CCN(c2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000601116517 358409282 /nfs/dbraw/zinc/40/92/82/358409282.db2.gz MJSYSBCOUOXPEB-UHFFFAOYSA-N 1 0 312.345 1.412 20 5 DDBDRO CC[NH2+][C@H](C)CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000358916740 299279801 /nfs/dbraw/zinc/27/98/01/299279801.db2.gz SZKYZJOVJOLQHB-SECBINFHSA-N 1 0 309.322 1.094 20 5 DDBDRO CN1CC[NH+](CCCCNc2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000601103526 358403577 /nfs/dbraw/zinc/40/35/77/358403577.db2.gz CHPGKQSDWKUZNV-UHFFFAOYSA-N 1 0 311.361 1.568 20 5 DDBDRO COC[C@](C)(O)CCNc1ccnc2ccc([N+](=O)[O-])cc21 ZINC000601171022 358431317 /nfs/dbraw/zinc/43/13/17/358431317.db2.gz ZDTJIOAORJFRMZ-OAHLLOKOSA-N 1 0 305.334 1.764 20 5 DDBDRO C[NH+](C)C[C@@]1(O)CCCN(c2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000601188198 358439382 /nfs/dbraw/zinc/43/93/82/358439382.db2.gz DCQGUGRRJAMOOE-ZDUSSCGKSA-N 1 0 314.773 1.536 20 5 DDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000601189790 358440142 /nfs/dbraw/zinc/44/01/42/358440142.db2.gz VMHYLZJXMYADJP-CQSZACIVSA-N 1 0 311.386 1.013 20 5 DDBDRO CN1CCCC[C@@H]([N@H+](C)CCOc2cccc([N+](=O)[O-])c2)C1=O ZINC000601970794 358759207 /nfs/dbraw/zinc/75/92/07/358759207.db2.gz QAJUUATZNRONTQ-OAHLLOKOSA-N 1 0 321.377 1.916 20 5 DDBDRO C[C@H]([NH3+])CCNC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000602429174 358970554 /nfs/dbraw/zinc/97/05/54/358970554.db2.gz UCXDHCAIRUBFON-ZETCQYMHSA-N 1 0 316.155 1.824 20 5 DDBDRO CC[C@](C)(C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1)OC ZINC000602439881 358977897 /nfs/dbraw/zinc/97/78/97/358977897.db2.gz PZXVSGCPZSPMIT-OAHLLOKOSA-N 1 0 308.382 1.927 20 5 DDBDRO C[NH+](C)C[C@@H]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000185796248 199888432 /nfs/dbraw/zinc/88/84/32/199888432.db2.gz JOJLASKXXDXSBW-NSHDSACASA-N 1 0 313.379 1.167 20 5 DDBDRO COc1cccc(C(=O)N[C@@H]2CC[NH2+]C23CCC3)c1[N+](=O)[O-] ZINC000602529215 359028740 /nfs/dbraw/zinc/02/87/40/359028740.db2.gz FGJQYOWHBPUFES-GFCCVEGCSA-N 1 0 305.334 1.618 20 5 DDBDRO CSc1ccc(C(=O)N(C)CCOCC[NH3+])cc1[N+](=O)[O-] ZINC000602553165 359042497 /nfs/dbraw/zinc/04/24/97/359042497.db2.gz ASPMSYJCQOMZMS-UHFFFAOYSA-N 1 0 313.379 1.364 20 5 DDBDRO CCOc1ccc(C(=O)N[C@H]2CC[C@H](C)[NH2+]C2)cc1[N+](=O)[O-] ZINC000602555972 359043394 /nfs/dbraw/zinc/04/33/94/359043394.db2.gz SCINJNJFWPCFTJ-JQWIXIFHSA-N 1 0 307.350 1.864 20 5 DDBDRO CN(C)C(=O)[C@@H]1CC[C@H](C[NH2+]CCc2ccc([N+](=O)[O-])cc2)O1 ZINC000602584199 359055877 /nfs/dbraw/zinc/05/58/77/359055877.db2.gz YARTYTSUZWFXAZ-CABCVRRESA-N 1 0 321.377 1.363 20 5 DDBDRO C[C@@H](CC[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)[S@@](C)=O ZINC000602595361 359060967 /nfs/dbraw/zinc/06/09/67/359060967.db2.gz WMFUEXPDRHUGFH-JLTPVHFHSA-N 1 0 311.363 1.983 20 5 DDBDRO CCC[C@@H](C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1)OC ZINC000602687317 359125865 /nfs/dbraw/zinc/12/58/65/359125865.db2.gz KPKYTVPOMKRUKI-ZDUSSCGKSA-N 1 0 308.382 1.927 20 5 DDBDRO CS(=O)(=O)CCCC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602696413 359131953 /nfs/dbraw/zinc/13/19/53/359131953.db2.gz ZNCPMXZQWFXNMJ-UHFFFAOYSA-N 1 0 300.380 1.552 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000602837806 359227358 /nfs/dbraw/zinc/22/73/58/359227358.db2.gz AAEUEOCDPILXJZ-GXSJLCMTSA-N 1 0 322.287 1.345 20 5 DDBDRO O=[N+]([O-])c1ccn(C2CC[NH+](CCc3cnccn3)CC2)n1 ZINC000602816907 359212379 /nfs/dbraw/zinc/21/23/79/359212379.db2.gz FVWQBJMJGPHRAV-UHFFFAOYSA-N 1 0 302.338 1.461 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CCN1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000602827638 359221689 /nfs/dbraw/zinc/22/16/89/359221689.db2.gz MIWTXWBLDBNXDC-JSGCOSHPSA-N 1 0 307.398 1.658 20 5 DDBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000602938986 359307289 /nfs/dbraw/zinc/30/72/89/359307289.db2.gz ZSBZFHCTLPYWRT-GTTSAUCSSA-N 1 0 317.345 1.640 20 5 DDBDRO O=[N+]([O-])c1ccc(OCCn2cc(C[NH2+]C3CC3)nn2)cc1 ZINC000603199459 359475124 /nfs/dbraw/zinc/47/51/24/359475124.db2.gz BCMDBDIKNMIUAS-UHFFFAOYSA-N 1 0 303.322 1.517 20 5 DDBDRO Cn1cc(CN2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c([N+](=O)[O-])n1 ZINC000603430811 359634982 /nfs/dbraw/zinc/63/49/82/359634982.db2.gz VAKBWAAXQAJUND-WCBMZHEXSA-N 1 0 321.303 1.287 20 5 DDBDRO O=[N+]([O-])c1cc(CN2C[C@@H]3C[NH2+]C[C@H]3C2)c2c(c1)COCO2 ZINC000603833434 359685050 /nfs/dbraw/zinc/68/50/50/359685050.db2.gz MYYLIFIYDCPWAK-STQMWFEESA-N 1 0 305.334 1.113 20 5 DDBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000187895622 200172742 /nfs/dbraw/zinc/17/27/42/200172742.db2.gz VRNPPSCALFNFOO-GFCCVEGCSA-N 1 0 320.393 1.981 20 5 DDBDRO C[C@@]1(C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CC[NH2+]C1 ZINC000237562711 202284553 /nfs/dbraw/zinc/28/45/53/202284553.db2.gz GHODTINGRITZGG-MRXNPFEDSA-N 1 0 318.377 1.243 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000237584249 202293335 /nfs/dbraw/zinc/29/33/35/202293335.db2.gz SDQMDRLQBLYLPL-UHFFFAOYSA-N 1 0 318.377 1.902 20 5 DDBDRO [NH3+]C[C@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000237870666 202375095 /nfs/dbraw/zinc/37/50/95/202375095.db2.gz GWNZSBMSSSCEAT-HNNXBMFYSA-N 1 0 321.377 1.997 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCC[N@@H+](C)C2CC2)c1 ZINC000281165624 216124245 /nfs/dbraw/zinc/12/42/45/216124245.db2.gz IMMLQCCNDJZICP-UHFFFAOYSA-N 1 0 321.377 1.883 20 5 DDBDRO CS(=O)(=O)C[C@H]1CCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000292404017 223055173 /nfs/dbraw/zinc/05/51/73/223055173.db2.gz ZBHMCSJUJBPHDD-ZDUSSCGKSA-N 1 0 312.391 1.504 20 5 DDBDRO CC(C)[NH2+][C@H]1CCCN(CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000609386494 360304213 /nfs/dbraw/zinc/30/42/13/360304213.db2.gz VCUIYPYGWRAFQC-ZDUSSCGKSA-N 1 0 320.393 1.996 20 5 DDBDRO COc1ccc(C[NH2+]C[C@@H]2CNc3ccnn3C2)cc1[N+](=O)[O-] ZINC000609406685 360304280 /nfs/dbraw/zinc/30/42/80/360304280.db2.gz HRQYWDQGGDXEHS-GFCCVEGCSA-N 1 0 317.349 1.631 20 5 DDBDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000359018713 299307771 /nfs/dbraw/zinc/30/77/71/299307771.db2.gz MVIHXQXZNOQYSK-TXEJJXNPSA-N 1 0 321.381 1.796 20 5 DDBDRO C[N@@H+]1CCCN(CCCNC(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000609619897 360336342 /nfs/dbraw/zinc/33/63/42/360336342.db2.gz WXEPAWOUDNVBTH-UHFFFAOYSA-N 1 0 320.393 1.352 20 5 DDBDRO C[C@H]1C[C@H](NCc2cc3c(cc2[N+](=O)[O-])OCCO3)CC[N@@H+]1C ZINC000610271197 360404775 /nfs/dbraw/zinc/40/47/75/360404775.db2.gz JWMXABVBMAZRSW-WCQYABFASA-N 1 0 321.377 1.938 20 5 DDBDRO Cn1nc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)c2ccccc21 ZINC000610890168 360564500 /nfs/dbraw/zinc/56/45/00/360564500.db2.gz LWTMAZDBKCWDBR-UHFFFAOYSA-N 1 0 300.322 1.468 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000611104327 360624303 /nfs/dbraw/zinc/62/43/03/360624303.db2.gz PSLSRBWWXQVMLE-ZDUSSCGKSA-N 1 0 323.397 1.410 20 5 DDBDRO C[C@@H](NC(=O)[C@H]1C[N@@H+]2CCN1CCC2)c1cccc([N+](=O)[O-])c1 ZINC000611201349 360657381 /nfs/dbraw/zinc/65/73/81/360657381.db2.gz UAPCPWTVCHOIQV-IUODEOHRSA-N 1 0 318.377 1.162 20 5 DDBDRO CC[C@H]1C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000281287259 216212359 /nfs/dbraw/zinc/21/23/59/216212359.db2.gz GTLNBITZTVPLCQ-GJZGRUSLSA-N 1 0 324.377 1.835 20 5 DDBDRO COc1ccc(NC(=O)N[C@@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000611826381 360835757 /nfs/dbraw/zinc/83/57/57/360835757.db2.gz HLKOQLWWOSHWHQ-LLVKDONJSA-N 1 0 308.338 1.819 20 5 DDBDRO C[C@@H]([NH3+])[C@H](C)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000192068419 200812559 /nfs/dbraw/zinc/81/25/59/200812559.db2.gz BHUQWGFFWLIKHJ-NWDGAFQWSA-N 1 0 321.377 1.948 20 5 DDBDRO O=C(C[C@@H]1CCC[NH2+]1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000194019041 201163950 /nfs/dbraw/zinc/16/39/50/201163950.db2.gz JGZMOZFFHLFMIG-ZDUSSCGKSA-N 1 0 318.377 1.386 20 5 DDBDRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000618924302 363804199 /nfs/dbraw/zinc/80/41/99/363804199.db2.gz WVRKLGDXGQPDSC-HNNXBMFYSA-N 1 0 307.350 1.124 20 5 DDBDRO COc1c(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)cccc1[N+](=O)[O-] ZINC000619435625 364007763 /nfs/dbraw/zinc/00/77/63/364007763.db2.gz MCYGHVBJDRQVDH-GFCCVEGCSA-N 1 0 319.361 1.818 20 5 DDBDRO COC(=O)[C@H](O)C1CC[NH+](Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000092014727 193141669 /nfs/dbraw/zinc/14/16/69/193141669.db2.gz VEFARGSKHKMQLX-OAHLLOKOSA-N 1 0 322.361 1.649 20 5 DDBDRO [NH3+]CCCCC(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000566185760 304125700 /nfs/dbraw/zinc/12/57/00/304125700.db2.gz RDPGFKUJLRZOEE-NSHDSACASA-N 1 0 307.354 1.132 20 5 DDBDRO C[C@@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1cn[nH]c1 ZINC000275235287 212215988 /nfs/dbraw/zinc/21/59/88/212215988.db2.gz WHNMAUFCWQRJDO-SNVBAGLBSA-N 1 0 315.333 1.558 20 5 DDBDRO C[N@H+](CCCCO)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000349917897 284105620 /nfs/dbraw/zinc/10/56/20/284105620.db2.gz BXCZAZSWPBNAOL-AWEZNQCLSA-N 1 0 307.350 1.404 20 5 DDBDRO COc1cc(C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)cc([N+](=O)[O-])c1OC ZINC000275105528 212122433 /nfs/dbraw/zinc/12/24/33/212122433.db2.gz DIBKDJYRAKXVGA-ONGXEEELSA-N 1 0 323.349 1.340 20 5 DDBDRO C[C@H](C[NH3+])N(C)C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000262009923 203173503 /nfs/dbraw/zinc/17/35/03/203173503.db2.gz BVWCBSBSVJLBKG-SNVBAGLBSA-N 1 0 303.322 1.200 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)C1CCN(CCO)CC1 ZINC000350016995 284133046 /nfs/dbraw/zinc/13/30/46/284133046.db2.gz SWFYXVNTHQZPBR-UHFFFAOYSA-N 1 0 307.394 1.792 20 5 DDBDRO COc1ccc(C(=O)N[C@H]2CC[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000093996687 193336710 /nfs/dbraw/zinc/33/67/10/193336710.db2.gz DTKKLVSLAPYKEL-NWDGAFQWSA-N 1 0 307.350 1.816 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H]1CCCCS1(=O)=O ZINC000350361787 284186442 /nfs/dbraw/zinc/18/64/42/284186442.db2.gz WGSHWGTVZZXGPY-AWEZNQCLSA-N 1 0 312.391 1.960 20 5 DDBDRO CCCc1n[nH]c(C(=O)N[C@H](C)C[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000264612468 204027233 /nfs/dbraw/zinc/02/72/33/204027233.db2.gz PGJKRFZKPASXKK-LLVKDONJSA-N 1 0 323.397 1.875 20 5 DDBDRO CCCc1n[nH]c(C(=O)N2CCC[N@@H+](C(C)C)CC2)c1[N+](=O)[O-] ZINC000264707382 204092370 /nfs/dbraw/zinc/09/23/70/204092370.db2.gz YAQOMICMJMDOBW-UHFFFAOYSA-N 1 0 323.397 1.827 20 5 DDBDRO CN(CCc1cccc([N+](=O)[O-])c1)Cc1nnnn1C1CC1 ZINC000282479623 217027496 /nfs/dbraw/zinc/02/74/96/217027496.db2.gz OQPQMPBVOPPIAM-UHFFFAOYSA-N 1 0 302.338 1.591 20 5 DDBDRO COc1ccc(CC(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000566556127 304168173 /nfs/dbraw/zinc/16/81/73/304168173.db2.gz BNNCTHUNJRQVAS-CYBMUJFWSA-N 1 0 319.361 1.499 20 5 DDBDRO CC[NH+]1CCC(CCNC(=O)c2[nH]nc(C)c2[N+](=O)[O-])CC1 ZINC000266231790 205202280 /nfs/dbraw/zinc/20/22/80/205202280.db2.gz NRUPYPKZOJBUKU-UHFFFAOYSA-N 1 0 309.370 1.478 20 5 DDBDRO CC[C@H]1CN(c2ccc([N+](=O)[O-])c(OC)c2)CC[N@@H+]1C[C@H](C)O ZINC000266392095 205314337 /nfs/dbraw/zinc/31/43/37/205314337.db2.gz OEAXAAZFFRTDEK-STQMWFEESA-N 1 0 323.393 1.885 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@H]1[C@@H]1CCCOC1 ZINC000566970900 304190722 /nfs/dbraw/zinc/19/07/22/304190722.db2.gz FTBPAXBKLFNIOO-HIFRSBDPSA-N 1 0 321.377 1.648 20 5 DDBDRO C[C@@H]1COCC[C@H]1[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000277316228 248744637 /nfs/dbraw/zinc/74/46/37/248744637.db2.gz DEMGXZVWAOZARN-OSAQELSMSA-N 1 0 310.350 1.349 20 5 DDBDRO C[C@H](CNc1ncc([N+](=O)[O-])cc1C(N)=O)C[NH+]1CCCCC1 ZINC000298742221 248819738 /nfs/dbraw/zinc/81/97/38/248819738.db2.gz QWEQPXACNQGQSV-LLVKDONJSA-N 1 0 321.381 1.623 20 5 DDBDRO C[NH+](C)C[C@@](C)(O)CNc1ccnc2c1cccc2[N+](=O)[O-] ZINC000336861691 249270686 /nfs/dbraw/zinc/27/06/86/249270686.db2.gz AAEFYAGKDCPTLY-HNNXBMFYSA-N 1 0 304.350 1.868 20 5 DDBDRO C[C@@H]1CC2(CN1C(=O)c1cccc([N+](=O)[O-])c1N)CC[NH2+]CC2 ZINC000579581490 422794239 /nfs/dbraw/zinc/79/42/39/422794239.db2.gz VOWVZMOPINJFHO-LLVKDONJSA-N 1 0 318.377 1.781 20 5 DDBDRO C[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H](C)CO ZINC000274042313 211299801 /nfs/dbraw/zinc/29/98/01/211299801.db2.gz ORNJLDWOWZEJMU-RKDXNWHRSA-N 1 0 315.757 1.793 20 5 DDBDRO C[C@@H](CO)[C@H](C)[NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000274007853 211264953 /nfs/dbraw/zinc/26/49/53/211264953.db2.gz LLONWXSQNXNPIM-UWVGGRQHSA-N 1 0 306.322 1.751 20 5 DDBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000104389053 194004099 /nfs/dbraw/zinc/00/40/99/194004099.db2.gz SCFLAAQEPHPOSU-GFCCVEGCSA-N 1 0 308.382 1.853 20 5 DDBDRO Cc1c(CN2CCO[C@H]3CC[N@@H+](C)C[C@@H]32)cccc1[N+](=O)[O-] ZINC000284471383 218040110 /nfs/dbraw/zinc/04/01/10/218040110.db2.gz AGLHBCNXDNPPAF-HOTGVXAUSA-N 1 0 305.378 1.808 20 5 DDBDRO C[C@@H]([NH2+][C@H](C)c1cn[nH]c1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000273928446 211183837 /nfs/dbraw/zinc/18/38/37/211183837.db2.gz CCHSIIIGWXORJL-NXEZZACHSA-N 1 0 303.322 1.996 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCO[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000285393361 218412930 /nfs/dbraw/zinc/41/29/30/218412930.db2.gz XGDODKWQKXMXBR-ZIAGYGMSSA-N 1 0 319.361 1.448 20 5 DDBDRO C[C@@H]1C[C@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000341009067 251334140 /nfs/dbraw/zinc/33/41/40/251334140.db2.gz AHJGRHFAVIKMMT-DGCLKSJQSA-N 1 0 306.366 1.877 20 5 DDBDRO COCC[N@H+](C)CCNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000341092530 251377303 /nfs/dbraw/zinc/37/73/03/251377303.db2.gz PTRXHEHILUJWQJ-UHFFFAOYSA-N 1 0 324.381 1.015 20 5 DDBDRO C[C@@H](NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[C@@H]1CCC[NH2+]C1 ZINC000269159266 207283359 /nfs/dbraw/zinc/28/33/59/207283359.db2.gz APJHZENUJBSFQX-NXEZZACHSA-N 1 0 317.349 1.589 20 5 DDBDRO C[C@@H](NC(=O)CNc1ccccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000269175485 207296622 /nfs/dbraw/zinc/29/66/22/207296622.db2.gz GVNVKTRCLLPAPA-VXGBXAGGSA-N 1 0 306.366 1.511 20 5 DDBDRO C[NH+](C)CCNC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000294308230 223962068 /nfs/dbraw/zinc/96/20/68/223962068.db2.gz XQVYWWQCDDVPER-UHFFFAOYSA-N 1 0 303.322 1.276 20 5 DDBDRO COc1ccc(CNC(=O)[C@H](C(C)C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000269232996 207357269 /nfs/dbraw/zinc/35/72/69/207357269.db2.gz YGRVTTVVBYPTNO-AWEZNQCLSA-N 1 0 309.366 1.806 20 5 DDBDRO C[NH2+][C@H]1CCCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000414660681 533022341 /nfs/dbraw/zinc/02/23/41/533022341.db2.gz WALCUFJQRUSNKQ-JTQLQIEISA-N 1 0 308.338 1.819 20 5 DDBDRO C[C@@]1([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)CCO[C@@H]1C1CC1 ZINC000273002525 210381989 /nfs/dbraw/zinc/38/19/89/210381989.db2.gz AJMYELNDAGXUFH-HUUCEWRRSA-N 1 0 307.350 1.304 20 5 DDBDRO C[C@@]1(CNC(=O)COc2ccccc2[N+](=O)[O-])CCC[NH2+]C1 ZINC000272962215 210347563 /nfs/dbraw/zinc/34/75/63/210347563.db2.gz GANNLLQKECWVGR-OAHLLOKOSA-N 1 0 307.350 1.480 20 5 DDBDRO COc1cc(C(=O)N2CC[NH2+][C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000158005929 197235459 /nfs/dbraw/zinc/23/54/59/197235459.db2.gz DJKWYBXLXVEFKQ-VIFPVBQESA-N 1 0 309.322 1.046 20 5 DDBDRO CC(C)C(=O)NCC[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000157671555 197206510 /nfs/dbraw/zinc/20/65/10/197206510.db2.gz HAGFAAGAXQUKDO-UHFFFAOYSA-N 1 0 309.366 1.678 20 5 DDBDRO C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000155534503 197063984 /nfs/dbraw/zinc/06/39/84/197063984.db2.gz JZAGMQFKOGLQNJ-VXGBXAGGSA-N 1 0 307.350 1.525 20 5 DDBDRO COc1cc(C[N@@H+]2CCC[C@]3(CNC(=O)C3)C2)ccc1[N+](=O)[O-] ZINC000352772213 285290149 /nfs/dbraw/zinc/29/01/49/285290149.db2.gz QEVFHXTYHQHGJV-INIZCTEOSA-N 1 0 319.361 1.706 20 5 DDBDRO COc1ccc(CNC(=O)[C@@H]2CC[NH2+][C@H]2C(C)C)cc1[N+](=O)[O-] ZINC000289855100 221271851 /nfs/dbraw/zinc/27/18/51/221271851.db2.gz GBWDYVAKHBLVDO-DOMZBBRYSA-N 1 0 321.377 1.854 20 5 DDBDRO COC[C@]1(CNC(=O)Nc2cccc([N+](=O)[O-])c2C)CCC[NH2+]1 ZINC000414716601 224378170 /nfs/dbraw/zinc/37/81/70/224378170.db2.gz XDWRSZLTVDMQOS-OAHLLOKOSA-N 1 0 322.365 1.793 20 5 DDBDRO C[NH2+]CCCNC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000121714432 195333799 /nfs/dbraw/zinc/33/37/99/195333799.db2.gz FAHXUUNINSGZTG-VIFPVBQESA-N 1 0 315.757 1.741 20 5 DDBDRO O=C(N[C@@H]1CC[NH2+]C1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000127117589 195850558 /nfs/dbraw/zinc/85/05/58/195850558.db2.gz HEOGAZDSNKTNCX-SNVBAGLBSA-N 1 0 318.358 1.810 20 5 DDBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC(=O)NC1CC1 ZINC000459551014 533446056 /nfs/dbraw/zinc/44/60/56/533446056.db2.gz LJZDNUIDKWASDC-JTQLQIEISA-N 1 0 320.349 1.180 20 5 DDBDRO C[C@@H]([NH2+][C@H]1COCC1(C)C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000451809103 533548321 /nfs/dbraw/zinc/54/83/21/533548321.db2.gz LMNQUWJHUVDTGA-MFKMUULPSA-N 1 0 307.350 1.936 20 5 DDBDRO COc1ccc(C[NH2+]CCN2C[C@H]3CC[C@@H](C2)O3)cc1[N+](=O)[O-] ZINC000451221495 533662905 /nfs/dbraw/zinc/66/29/05/533662905.db2.gz JOZROQLYHMIYLN-OKILXGFUSA-N 1 0 321.377 1.556 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](C)CC[NH3+])cc1C ZINC000336836574 291992514 /nfs/dbraw/zinc/99/25/14/291992514.db2.gz WYNOHIHQUMOQIO-JTQLQIEISA-N 1 0 301.368 1.227 20 5 DDBDRO CC[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000568646884 304303992 /nfs/dbraw/zinc/30/39/92/304303992.db2.gz KZWVLHYPJSESNW-GFCCVEGCSA-N 1 0 305.338 1.166 20 5 DDBDRO C[C@H](CN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000353511967 285777819 /nfs/dbraw/zinc/77/78/19/285777819.db2.gz BXQMNSFPYRNQRZ-IUODEOHRSA-N 1 0 317.393 1.957 20 5 DDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCc2cn[nH]c2)n1 ZINC000353627036 285835162 /nfs/dbraw/zinc/83/51/62/285835162.db2.gz JMRAWMHXOILSQO-QWHCGFSZSA-N 1 0 304.354 1.830 20 5 DDBDRO CO[C@@H]1CC[C@@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000569096244 304336613 /nfs/dbraw/zinc/33/66/13/304336613.db2.gz XVRRCNCSOSKTAJ-KWCYVHTRSA-N 1 0 310.350 1.492 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CCc1ccco1 ZINC000569594452 304367556 /nfs/dbraw/zinc/36/75/56/304367556.db2.gz AMAVMFZMFPPRDN-GFCCVEGCSA-N 1 0 306.318 1.760 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC2(C[NH+](C)C)CCC2)c1 ZINC000281014818 286381564 /nfs/dbraw/zinc/38/15/64/286381564.db2.gz FUANFVMKJISHOV-UHFFFAOYSA-N 1 0 307.350 1.818 20 5 DDBDRO CC[N@H+](CCc1cccs1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266565693 407563478 /nfs/dbraw/zinc/56/34/78/407563478.db2.gz ZMTXVDMWURRXEI-ZDUSSCGKSA-N 1 0 324.406 1.778 20 5 DDBDRO CN(CCN1CC[NH2+]CC1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000071150858 406833460 /nfs/dbraw/zinc/83/34/60/406833460.db2.gz VRCWHPYYVYSQIC-UHFFFAOYSA-N 1 0 312.801 1.585 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCC[NH+](C)C)c1C ZINC000012141042 406836069 /nfs/dbraw/zinc/83/60/69/406836069.db2.gz ABVZWYRBJBYOAE-UHFFFAOYSA-N 1 0 301.368 1.052 20 5 DDBDRO C[C@@H](C1CC1)[N@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000073800328 406894992 /nfs/dbraw/zinc/89/49/92/406894992.db2.gz JKGWGUPBQATVPH-VIFPVBQESA-N 1 0 321.333 1.992 20 5 DDBDRO C[NH+](C)[C@@H](CNC(=O)Cn1cc([N+](=O)[O-])cn1)c1cccs1 ZINC000044669344 407028910 /nfs/dbraw/zinc/02/89/10/407028910.db2.gz MFYSPLBOKJSRAC-NSHDSACASA-N 1 0 323.378 1.272 20 5 DDBDRO CC(C)[N@H+](CCO)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000078681595 407041570 /nfs/dbraw/zinc/04/15/70/407041570.db2.gz JLKGDPUFPAVKKV-UHFFFAOYSA-N 1 0 315.757 1.889 20 5 DDBDRO CCN(CCC[NH2+]Cc1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000038035482 406997815 /nfs/dbraw/zinc/99/78/15/406997815.db2.gz LCGDXDKGEZVPQC-UHFFFAOYSA-N 1 0 315.395 1.356 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000038050079 406999608 /nfs/dbraw/zinc/99/96/08/406999608.db2.gz PVOUDWLGWYJDIL-VXGBXAGGSA-N 1 0 313.379 1.451 20 5 DDBDRO CC[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1nccs1 ZINC000080277612 407070968 /nfs/dbraw/zinc/07/09/68/407070968.db2.gz WXVDSRJHUMFYJW-QWRGUYRKSA-N 1 0 311.367 1.350 20 5 DDBDRO C[NH+](C)Cc1cccc(CNC(=O)Cn2ccc([N+](=O)[O-])n2)c1 ZINC000052611217 407153741 /nfs/dbraw/zinc/15/37/41/407153741.db2.gz DPFCRRBPNOJZIX-UHFFFAOYSA-N 1 0 317.349 1.169 20 5 DDBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc2c(c1)OCO2 ZINC000090539699 407169290 /nfs/dbraw/zinc/16/92/90/407169290.db2.gz FNWLMXDOYDCKLM-JTQLQIEISA-N 1 0 304.306 1.871 20 5 DDBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000055209808 407198373 /nfs/dbraw/zinc/19/83/73/407198373.db2.gz ATSBKNSUSSREGL-CYBMUJFWSA-N 1 0 320.393 1.997 20 5 DDBDRO CC[N@H+](CCNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)C(C)C ZINC000102480258 407323574 /nfs/dbraw/zinc/32/35/74/407323574.db2.gz LAXMNJCQVDLMEJ-UHFFFAOYSA-N 1 0 319.365 1.931 20 5 DDBDRO CC(C)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1)NS(C)(=O)=O ZINC000067005799 407266005 /nfs/dbraw/zinc/26/60/05/407266005.db2.gz HVVBMXKPQRCDAK-UHFFFAOYSA-N 1 0 301.368 1.012 20 5 DDBDRO CC[N@@H+]1CCCC[C@@H]1C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000067706303 407280832 /nfs/dbraw/zinc/28/08/32/407280832.db2.gz RWKHBHNAMKGTMN-OAHLLOKOSA-N 1 0 320.393 1.997 20 5 DDBDRO CN(CC1CC[NH+](C)CC1)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000103453549 407339988 /nfs/dbraw/zinc/33/99/88/407339988.db2.gz APUBVKGWGXAXGW-UHFFFAOYSA-N 1 0 321.377 1.774 20 5 DDBDRO CC[C@H](C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)[NH+](C)C ZINC000124496346 407360119 /nfs/dbraw/zinc/36/01/19/407360119.db2.gz DZZHPKMPXJAVST-CYBMUJFWSA-N 1 0 320.393 1.584 20 5 DDBDRO Cc1c(NC(=O)CC[N@@H+](C)[C@@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000106882098 407365092 /nfs/dbraw/zinc/36/50/92/407365092.db2.gz IJFCKPXCOALEPL-GFCCVEGCSA-N 1 0 307.350 1.953 20 5 DDBDRO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CCn1cccn1 ZINC000111282448 407406162 /nfs/dbraw/zinc/40/61/62/407406162.db2.gz QVFIXMKMROGWEP-UHFFFAOYSA-N 1 0 317.349 1.752 20 5 DDBDRO CC(C)(C)C[N@H+](CCO)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000112600296 407433088 /nfs/dbraw/zinc/43/30/88/407433088.db2.gz ICASQUJWJYBPNP-UHFFFAOYSA-N 1 0 309.366 1.534 20 5 DDBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000112924239 407447403 /nfs/dbraw/zinc/44/74/03/407447403.db2.gz SJUBYGVDMPESJT-OAHLLOKOSA-N 1 0 320.393 1.997 20 5 DDBDRO C[N@@H+]1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C(C)(C)C1 ZINC000270999550 407461681 /nfs/dbraw/zinc/46/16/81/407461681.db2.gz VTQXHJLJXVVJBA-UHFFFAOYSA-N 1 0 317.349 1.637 20 5 DDBDRO CCC[N@@H+]1CCC[C@H]1C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000128942471 407584319 /nfs/dbraw/zinc/58/43/19/407584319.db2.gz CVXOKHYUZUHOFG-HNNXBMFYSA-N 1 0 320.393 1.997 20 5 DDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170873740 407542848 /nfs/dbraw/zinc/54/28/48/407542848.db2.gz MYHUYEXBKQCJBA-LLVKDONJSA-N 1 0 313.379 1.228 20 5 DDBDRO COc1ccc(C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1[N+](=O)[O-] ZINC000261894072 407659624 /nfs/dbraw/zinc/65/96/24/407659624.db2.gz ODQCIVGTZKPTSK-AVGNSLFASA-N 1 0 319.361 1.803 20 5 DDBDRO C[NH+](C)C[C@@](C)(O)CNC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000152499044 407644579 /nfs/dbraw/zinc/64/45/79/407644579.db2.gz WCBCRDSLQQTCLR-KIUWMYQTSA-N 1 0 307.350 1.037 20 5 DDBDRO C[C@]1(CN2CCN(c3ccccc3[N+](=O)[O-])CC2)CC[NH2+]C1 ZINC000261892649 407657589 /nfs/dbraw/zinc/65/75/89/407657589.db2.gz UGXWMYRFKRVXKC-INIZCTEOSA-N 1 0 304.394 1.716 20 5 DDBDRO Cc1cc(C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)c(N)c([N+](=O)[O-])c1 ZINC000115716739 407703718 /nfs/dbraw/zinc/70/37/18/407703718.db2.gz INYNIVYQRYDGIA-LBPRGKRZSA-N 1 0 320.393 1.899 20 5 DDBDRO C[C@@H](O)C[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000267000403 407712259 /nfs/dbraw/zinc/71/22/59/407712259.db2.gz CTIGMPOTJVZJGK-VXGBXAGGSA-N 1 0 311.357 1.621 20 5 DDBDRO COCC[N@@H+](CCc1ccccc1)CCn1ccc([N+](=O)[O-])n1 ZINC000267059756 407733275 /nfs/dbraw/zinc/73/32/75/407733275.db2.gz IGKUWFXALXYBCH-UHFFFAOYSA-N 1 0 318.377 1.982 20 5 DDBDRO COc1cc(OCC(=O)NC[C@@H]2CCCC[NH2+]2)ccc1[N+](=O)[O-] ZINC000237226414 407806602 /nfs/dbraw/zinc/80/66/02/407806602.db2.gz HTIZFYUWRBFQHO-NSHDSACASA-N 1 0 323.349 1.241 20 5 DDBDRO C[C@@H]1CN(C(=O)CCNc2ccccc2[N+](=O)[O-])C[C@@H](C)[NH2+]1 ZINC000153363387 407808963 /nfs/dbraw/zinc/80/89/63/407808963.db2.gz UEAPTIYWSOBOJT-VXGBXAGGSA-N 1 0 306.366 1.606 20 5 DDBDRO C[NH+](C)[C@@H]1CCC[C@H](Nc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000267254393 407809253 /nfs/dbraw/zinc/80/92/53/407809253.db2.gz IYDORAZLGDDFQY-NWDGAFQWSA-N 1 0 306.366 1.978 20 5 DDBDRO C[NH+](C)C[C@@](C)(O)CNC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000153390427 407815746 /nfs/dbraw/zinc/81/57/46/407815746.db2.gz KIZKSZLNXJEZMG-HVHJFMEUSA-N 1 0 307.350 1.037 20 5 DDBDRO CC[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1c(C)noc1C ZINC000182394394 306704386 /nfs/dbraw/zinc/70/43/86/306704386.db2.gz UAPLUPYQMXEJBV-QWHCGFSZSA-N 1 0 323.353 1.498 20 5 DDBDRO CC[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)C1CC1 ZINC000153576206 407854117 /nfs/dbraw/zinc/85/41/17/407854117.db2.gz FVEIWOSAOFNYIL-UHFFFAOYSA-N 1 0 303.362 1.964 20 5 DDBDRO COC[C@H](O)C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000117946609 407872517 /nfs/dbraw/zinc/87/25/17/407872517.db2.gz XLPPBPQXLUZBHM-CYBMUJFWSA-N 1 0 306.318 1.952 20 5 DDBDRO O=C(c1n[nH]cc1[N+](=O)[O-])N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000153670325 407874043 /nfs/dbraw/zinc/87/40/43/407874043.db2.gz NGBBIDHWLUGIHK-LLVKDONJSA-N 1 0 307.354 1.408 20 5 DDBDRO CC(C)C[NH+]1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000153681723 407877350 /nfs/dbraw/zinc/87/73/50/407877350.db2.gz RBKDXSDAIJZYCG-MRXNPFEDSA-N 1 0 307.394 1.902 20 5 DDBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2[O-])C1 ZINC000134097449 407885888 /nfs/dbraw/zinc/88/58/88/407885888.db2.gz JARBIUWBVWXROJ-NSHDSACASA-N 1 0 307.350 1.762 20 5 DDBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])cnc1N)[NH+]1CCC(C)CC1 ZINC000180550848 407897423 /nfs/dbraw/zinc/89/74/23/407897423.db2.gz RNHCQVHYLMXDMS-NSHDSACASA-N 1 0 321.381 1.422 20 5 DDBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000174534919 407959813 /nfs/dbraw/zinc/95/98/13/407959813.db2.gz IEHDCIOWMCGJID-ZDUSSCGKSA-N 1 0 321.377 1.774 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCS[C@H]3COCC[C@@H]32)c1 ZINC000154472445 408042654 /nfs/dbraw/zinc/04/26/54/408042654.db2.gz NVVMKYAMGGBPLV-ZNMIVQPWSA-N 1 0 324.402 1.835 20 5 DDBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc(N)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000272596231 408001849 /nfs/dbraw/zinc/00/18/49/408001849.db2.gz IMISXLNLOUTTKI-HZMBPMFUSA-N 1 0 304.350 1.343 20 5 DDBDRO CN(C)C[C@H](O)C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000154254542 408002121 /nfs/dbraw/zinc/00/21/21/408002121.db2.gz GSVGOAPKFCQTPI-HUUCEWRRSA-N 1 0 307.394 1.428 20 5 DDBDRO C[C@@H](O)C[NH+]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000189358517 408007061 /nfs/dbraw/zinc/00/70/61/408007061.db2.gz GCGRBEGOTDPIHD-LLVKDONJSA-N 1 0 313.785 1.747 20 5 DDBDRO C[C@H](O)[C@H]1CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000182492252 408177826 /nfs/dbraw/zinc/17/78/26/408177826.db2.gz LZPBWQMQNGGYDP-AVGNSLFASA-N 1 0 310.350 1.037 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C)N1CC[NH+](C)CC1 ZINC000263750884 408238685 /nfs/dbraw/zinc/23/86/85/408238685.db2.gz JWWIIWFFOTUEEV-ZDUSSCGKSA-N 1 0 320.393 1.269 20 5 DDBDRO C[C@H]([NH3+])[C@H](C)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000182848622 408266833 /nfs/dbraw/zinc/26/68/33/408266833.db2.gz LZNVVVXRNRISMK-RYUDHWBXSA-N 1 0 306.366 1.227 20 5 DDBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CC(=O)N(C)C1 ZINC000268884484 408214011 /nfs/dbraw/zinc/21/40/11/408214011.db2.gz WUAPHLDNJQFLGR-PWSUYJOCSA-N 1 0 320.349 1.132 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CC3(O)CCOCC3)CC2)cc1 ZINC000269334113 408272515 /nfs/dbraw/zinc/27/25/15/408272515.db2.gz AKBDGOYEAKQSHV-UHFFFAOYSA-N 1 0 321.377 1.258 20 5 DDBDRO C[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000274136031 408303341 /nfs/dbraw/zinc/30/33/41/408303341.db2.gz YVVGNKWHWGEPTR-RYUDHWBXSA-N 1 0 307.350 1.938 20 5 DDBDRO C[NH+](C)[C@H]1CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000263980705 408335467 /nfs/dbraw/zinc/33/54/67/408335467.db2.gz FUSAWFLBVMGARZ-VIFPVBQESA-N 1 0 317.342 1.059 20 5 DDBDRO CCCC[C@H](C[NH3+])Nc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000138081068 162129253 /nfs/dbraw/zinc/12/92/53/162129253.db2.gz KVSVRSMYZCVPBB-SNVBAGLBSA-N 1 0 315.395 1.928 20 5 DDBDRO CS[C@@H]1CCCC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000246849147 408353366 /nfs/dbraw/zinc/35/33/66/408353366.db2.gz OZUOWPPISNWEDN-CHWSQXEVSA-N 1 0 314.411 1.370 20 5 DDBDRO Cc1cc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c(N)c([N+](=O)[O-])c1 ZINC000158877606 408366948 /nfs/dbraw/zinc/36/69/48/408366948.db2.gz KOLNWWSYSGQXOD-PHIMTYICSA-N 1 0 304.350 1.452 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)C[C@H](O)CN1CCOCC1 ZINC000183361200 408391505 /nfs/dbraw/zinc/39/15/05/408391505.db2.gz RKPFHHMQYKUIEB-INIZCTEOSA-N 1 0 323.393 1.028 20 5 DDBDRO CC(C)C[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1N)[NH+](C)C ZINC000176654901 408413391 /nfs/dbraw/zinc/41/33/91/408413391.db2.gz OVXXENROURIAQB-LLVKDONJSA-N 1 0 308.382 1.883 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000264424059 408484170 /nfs/dbraw/zinc/48/41/70/408484170.db2.gz KVMXWLAYWADXIH-ZDUSSCGKSA-N 1 0 320.393 1.269 20 5 DDBDRO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000177001288 408494890 /nfs/dbraw/zinc/49/48/90/408494890.db2.gz VOLLBBZBLOSHEZ-LBPRGKRZSA-N 1 0 309.370 1.042 20 5 DDBDRO C[NH+](C)[C@H]1CCCN(C(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000264404749 408476387 /nfs/dbraw/zinc/47/63/87/408476387.db2.gz KIYYIJRJRSKKGL-LBPRGKRZSA-N 1 0 307.350 1.526 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000248466318 408574220 /nfs/dbraw/zinc/57/42/20/408574220.db2.gz SEJHFPFMMJRKGZ-XJKSGUPXSA-N 1 0 322.361 1.447 20 5 DDBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C[C@@H](C)[C@H]([NH+](C)C)C1 ZINC000270697582 408641851 /nfs/dbraw/zinc/64/18/51/408641851.db2.gz ZHLLTUYMEROURY-TYNCELHUSA-N 1 0 320.393 1.804 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000177522373 408645516 /nfs/dbraw/zinc/64/55/16/408645516.db2.gz HKXMMSSQQQXLPL-NWDGAFQWSA-N 1 0 309.370 1.089 20 5 DDBDRO COC(=O)CN(C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000192807254 408653409 /nfs/dbraw/zinc/65/34/09/408653409.db2.gz XWDNQFBNTKTDMO-UHFFFAOYSA-N 1 0 309.322 1.337 20 5 DDBDRO CC(C)[C@H](C)[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000162102139 408668556 /nfs/dbraw/zinc/66/85/56/408668556.db2.gz FFCYDZWXQHEWBT-NSHDSACASA-N 1 0 315.395 1.507 20 5 DDBDRO C[N@@H+]1CCCN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC1 ZINC000193540405 408725291 /nfs/dbraw/zinc/72/52/91/408725291.db2.gz PQQULTCLBSJAPP-UHFFFAOYSA-N 1 0 304.350 1.621 20 5 DDBDRO C[C@H](O)C[N@@H+]1CCN(CCc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000249512745 408735126 /nfs/dbraw/zinc/73/51/26/408735126.db2.gz OQOOYPUHRYIPNQ-KGLIPLIRSA-N 1 0 307.394 1.524 20 5 DDBDRO C[NH+](C)C1(CNC(=O)CNc2ccccc2[N+](=O)[O-])CCC1 ZINC000275843369 408694599 /nfs/dbraw/zinc/69/45/99/408694599.db2.gz HGKGMFGZRUPUME-UHFFFAOYSA-N 1 0 306.366 1.607 20 5 DDBDRO C[N@H+]1C[C@H]2CN(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C[C@H]2C1 ZINC000194534627 408786388 /nfs/dbraw/zinc/78/63/88/408786388.db2.gz FDYSXRWTCDHZCD-TXEJJXNPSA-N 1 0 306.322 1.496 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000195132086 408813256 /nfs/dbraw/zinc/81/32/56/408813256.db2.gz KJKPHWAYMSSCGP-CYBMUJFWSA-N 1 0 322.365 1.497 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000163333474 408774781 /nfs/dbraw/zinc/77/47/81/408774781.db2.gz VXLOGKCILMXNPI-UHFFFAOYSA-N 1 0 323.397 1.522 20 5 DDBDRO Cc1cc(C(=O)N2CCO[C@@H]3CC[N@@H+](C)C[C@H]32)cc([N+](=O)[O-])c1 ZINC000285872571 408881166 /nfs/dbraw/zinc/88/11/66/408881166.db2.gz RLCNJFFXPORUHD-HUUCEWRRSA-N 1 0 319.361 1.448 20 5 DDBDRO CC(C)[N@@H+]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000276191478 408824828 /nfs/dbraw/zinc/82/48/28/408824828.db2.gz IHQNGUUENJMOSD-LLVKDONJSA-N 1 0 306.366 1.780 20 5 DDBDRO O=C(Cc1ccccc1[N+](=O)[O-])N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000190742721 163156196 /nfs/dbraw/zinc/15/61/96/163156196.db2.gz MRXGUEAZQWLADS-CYBMUJFWSA-N 1 0 303.362 1.880 20 5 DDBDRO CN(CCC[NH+]1CCCC1)c1ncc([N+](=O)[O-])cc1C(N)=O ZINC000281797839 408931738 /nfs/dbraw/zinc/93/17/38/408931738.db2.gz IKFQPVGGQMFEPS-UHFFFAOYSA-N 1 0 307.354 1.011 20 5 DDBDRO CCOc1ccc(C(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)cc1[N+](=O)[O-] ZINC000236903280 163365363 /nfs/dbraw/zinc/36/53/63/163365363.db2.gz SZCLCAYXTZHWTQ-QWRGUYRKSA-N 1 0 307.350 1.816 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CC1(N2CCOCC2)CC1 ZINC000277539557 408960305 /nfs/dbraw/zinc/96/03/05/408960305.db2.gz WMTDCWRKLRMKCR-UHFFFAOYSA-N 1 0 305.378 1.858 20 5 DDBDRO CC[N@@H+]1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000286380136 408973858 /nfs/dbraw/zinc/97/38/58/408973858.db2.gz GQCPNUWKIGOSSU-HIFRSBDPSA-N 1 0 323.393 1.361 20 5 DDBDRO CC[N@@H+]1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@@H](C)C1 ZINC000286392612 408977039 /nfs/dbraw/zinc/97/70/39/408977039.db2.gz HAZWBTDMWYBFJD-LBPRGKRZSA-N 1 0 321.377 1.987 20 5 DDBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000293528522 409131650 /nfs/dbraw/zinc/13/16/50/409131650.db2.gz UXMDJTVPSVLGDT-FZMZJTMJSA-N 1 0 321.402 1.897 20 5 DDBDRO CCn1nccc1C1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000278965099 409122156 /nfs/dbraw/zinc/12/21/56/409122156.db2.gz XFJYYNSNSSTMFZ-UHFFFAOYSA-N 1 0 318.381 1.887 20 5 DDBDRO Cc1cc(C(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)c(N)c([N+](=O)[O-])c1 ZINC000293592319 409144657 /nfs/dbraw/zinc/14/46/57/409144657.db2.gz BETPJGDQDAICFN-MRXNPFEDSA-N 1 0 318.377 1.653 20 5 DDBDRO COC[C@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)[C@H]1CCCO1 ZINC000279091241 409147486 /nfs/dbraw/zinc/14/74/86/409147486.db2.gz PIGBTSGQRFHKNK-LSDHHAIUSA-N 1 0 310.350 1.757 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NCC[N@H+](C)C2CC2)c1 ZINC000283464373 409160808 /nfs/dbraw/zinc/16/08/08/409160808.db2.gz LWOJRLCICIHLBX-UHFFFAOYSA-N 1 0 307.350 1.818 20 5 DDBDRO C[NH+](C)CCn1nccc1NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000294038262 409230067 /nfs/dbraw/zinc/23/00/67/409230067.db2.gz KMHQKNKKMQFPGV-UHFFFAOYSA-N 1 0 321.312 1.744 20 5 DDBDRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000261900861 163725063 /nfs/dbraw/zinc/72/50/63/163725063.db2.gz WQFZHUSTIJPEEM-UWVGGRQHSA-N 1 0 311.313 1.308 20 5 DDBDRO C[C@@H](CN1CCCC1=O)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283956061 409247291 /nfs/dbraw/zinc/24/72/91/409247291.db2.gz FZQABULFEJUJLI-QWRGUYRKSA-N 1 0 306.366 1.839 20 5 DDBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)Cc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000262077407 163763437 /nfs/dbraw/zinc/76/34/37/163763437.db2.gz GRWUBYKGVHNMQD-BPLDGKMQSA-N 1 0 303.362 1.723 20 5 DDBDRO C[NH+](C)C1CN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000294689113 409296833 /nfs/dbraw/zinc/29/68/33/409296833.db2.gz VMGIEEAJBPHGJP-UHFFFAOYSA-N 1 0 317.267 2.000 20 5 DDBDRO COc1cc(C[N@@H+]2CC[C@@](C)(C(N)=O)C2)c([N+](=O)[O-])cc1F ZINC000280742454 409434057 /nfs/dbraw/zinc/43/40/57/409434057.db2.gz MNIBEGQIPAMNMA-CQSZACIVSA-N 1 0 311.313 1.440 20 5 DDBDRO C[C@H]1CN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC[N@@H+](C2CC2)C1 ZINC000295336943 409441024 /nfs/dbraw/zinc/44/10/24/409441024.db2.gz MJQDJEDTFBHFBF-SNVBAGLBSA-N 1 0 320.349 1.252 20 5 DDBDRO COc1cc(NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)ccc1[N+](=O)[O-] ZINC000317768839 164029087 /nfs/dbraw/zinc/02/90/87/164029087.db2.gz QKAMYUGUZPNYOR-QWHCGFSZSA-N 1 0 307.350 1.879 20 5 DDBDRO C[N@@H+]1CC[C@H]2OCCN(Cc3cc([O-])ccc3[N+](=O)[O-])[C@@H]2C1 ZINC000407999002 164193692 /nfs/dbraw/zinc/19/36/92/164193692.db2.gz SORWLXFFJBWCFM-HUUCEWRRSA-N 1 0 307.350 1.205 20 5 DDBDRO C[N@@H+]1CC[C@@H]2OCCN(Cc3cc([O-])ccc3[N+](=O)[O-])[C@H]2C1 ZINC000407999000 164193776 /nfs/dbraw/zinc/19/37/76/164193776.db2.gz SORWLXFFJBWCFM-GJZGRUSLSA-N 1 0 307.350 1.205 20 5 DDBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000408068538 164215564 /nfs/dbraw/zinc/21/55/64/164215564.db2.gz IONRIVIXBLOTBE-TUAOUCFPSA-N 1 0 321.381 1.795 20 5 DDBDRO O=[N+]([O-])c1ccccc1C[NH2+]CCc1nnnn1-c1ccccc1 ZINC000337864204 409523220 /nfs/dbraw/zinc/52/32/20/409523220.db2.gz NODFIBAKONYJOT-UHFFFAOYSA-N 1 0 324.344 1.903 20 5 DDBDRO COc1cccc(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000331560302 409637846 /nfs/dbraw/zinc/63/78/46/409637846.db2.gz SXGOMCPNRJYPJA-JTQLQIEISA-N 1 0 305.334 1.570 20 5 DDBDRO C[C@H]1CC(C)(C)C[C@@](CO)([NH2+]CCn2cc([N+](=O)[O-])cn2)C1 ZINC000304716013 409640446 /nfs/dbraw/zinc/64/04/46/409640446.db2.gz NCYWBPXMDWMLAU-WFASDCNBSA-N 1 0 310.398 1.958 20 5 DDBDRO COCCOC[C@H](O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000296851643 409665403 /nfs/dbraw/zinc/66/54/03/409665403.db2.gz UJZQQMCCVXTDPZ-MRXNPFEDSA-N 1 0 324.377 1.583 20 5 DDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CCN(C3CC3)C2)cc1 ZINC000354284112 409748378 /nfs/dbraw/zinc/74/83/78/409748378.db2.gz WANIICLWZLXUGV-JTQLQIEISA-N 1 0 311.363 1.110 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CCC[C@@H]([NH3+])C1 ZINC000346085903 409769931 /nfs/dbraw/zinc/76/99/31/409769931.db2.gz HULBAQWKFWWMNN-WDEREUQCSA-N 1 0 322.365 1.354 20 5 DDBDRO C[C@H](C[NH+](C)C)NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000346219158 409859313 /nfs/dbraw/zinc/85/93/13/409859313.db2.gz KFXPFFZYVDQRST-MRVPVSSYSA-N 1 0 317.292 1.876 20 5 DDBDRO [NH3+]CC[C@H]1CCCCN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000357348328 409987785 /nfs/dbraw/zinc/98/77/85/409987785.db2.gz FBWPOPCQTSGXTL-GFCCVEGCSA-N 1 0 307.350 1.704 20 5 DDBDRO CN(CCc1cccc([N+](=O)[O-])c1)CC(=O)NCC1CCC1 ZINC000338360627 409939831 /nfs/dbraw/zinc/93/98/31/409939831.db2.gz OPEFUTDWMAOZBS-UHFFFAOYSA-N 1 0 305.378 1.985 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000332267398 410026809 /nfs/dbraw/zinc/02/68/09/410026809.db2.gz WFAYDROHHOJYDL-VXGBXAGGSA-N 1 0 304.350 1.976 20 5 DDBDRO CN1CCO[C@H](c2nc(Cc3ccccc3[N+](=O)[O-])no2)C1 ZINC000351190100 410043845 /nfs/dbraw/zinc/04/38/45/410043845.db2.gz NKZUCVHNSINSLZ-LBPRGKRZSA-N 1 0 304.306 1.572 20 5 DDBDRO COc1c(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cccc1[N+](=O)[O-] ZINC000332309866 410056639 /nfs/dbraw/zinc/05/66/39/410056639.db2.gz XCILZTUMELFCTK-CHWSQXEVSA-N 1 0 319.361 1.960 20 5 DDBDRO Cc1n[nH]c(C(=O)N2CCC([NH+]3CCCC3)CC2)c1[N+](=O)[O-] ZINC000354894010 410157012 /nfs/dbraw/zinc/15/70/12/410157012.db2.gz ZFQNYZGQUPGNJT-UHFFFAOYSA-N 1 0 307.354 1.327 20 5 DDBDRO COC(=O)[C@H](C)C[N@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000298688444 410349325 /nfs/dbraw/zinc/34/93/25/410349325.db2.gz AOOIBJJFZCCCIH-SNVBAGLBSA-N 1 0 324.333 1.702 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000351860632 410296721 /nfs/dbraw/zinc/29/67/21/410296721.db2.gz GXRSMCQNTIQCFS-NWDGAFQWSA-N 1 0 306.366 1.511 20 5 DDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CCC[N@H+](C)[C@H]1C ZINC000343457049 410467954 /nfs/dbraw/zinc/46/79/54/410467954.db2.gz KOYBYCNWNJOCKQ-GWCFXTLKSA-N 1 0 306.366 1.849 20 5 DDBDRO C[C@@H]1[NH2+]CCC[C@H]1C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000343411669 410429647 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20 5 DDBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000330585672 410800313 /nfs/dbraw/zinc/80/03/13/410800313.db2.gz LMJAWGNPQMDSOE-UMVBOHGHSA-N 1 0 323.393 1.359 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH+]2CC3(C2)CCOCC3)c1 ZINC000353033084 410750435 /nfs/dbraw/zinc/75/04/35/410750435.db2.gz XSPJXHSSAUCBOJ-AWEZNQCLSA-N 1 0 322.361 1.447 20 5 DDBDRO CC[NH+](CC)CC1CCN(C(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC000330650345 410850381 /nfs/dbraw/zinc/85/03/81/410850381.db2.gz JOJKPWRHZWUUGQ-UHFFFAOYSA-N 1 0 323.397 1.522 20 5 DDBDRO COc1ccc(OCCN(C)[C@@H](C[NH3+])C2CC2)c([N+](=O)[O-])c1 ZINC000359876340 410929092 /nfs/dbraw/zinc/92/90/92/410929092.db2.gz LHIUZTZSJVCCAD-AWEZNQCLSA-N 1 0 309.366 1.651 20 5 DDBDRO C[C@H]1C[C@H](CO)CC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000344121280 410970775 /nfs/dbraw/zinc/97/07/75/410970775.db2.gz DWVZTYJUKVMUTE-WDEREUQCSA-N 1 0 307.350 1.287 20 5 DDBDRO CC1CC[NH+](CC2CCN(C(=O)[C@H]3C[C@H]3[N+](=O)[O-])CC2)CC1 ZINC000360108660 411049758 /nfs/dbraw/zinc/04/97/58/411049758.db2.gz XYHZISKHQJGHOX-LSDHHAIUSA-N 1 0 309.410 1.622 20 5 DDBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cncn1C ZINC000353567365 411066456 /nfs/dbraw/zinc/06/64/56/411066456.db2.gz NMYXQTKTVATCQF-LLVKDONJSA-N 1 0 317.349 1.835 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC000129512917 196054194 /nfs/dbraw/zinc/05/41/94/196054194.db2.gz HXNUHVJGERPXEM-CQSZACIVSA-N 1 0 309.366 1.806 20 5 DDBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@@H](CN3CCOCC3)C2)cc1 ZINC000129540037 196056151 /nfs/dbraw/zinc/05/61/51/196056151.db2.gz WDNFHIONDOKXGO-MRXNPFEDSA-N 1 0 319.405 1.791 20 5 DDBDRO [NH3+][C@H]1CCC[C@@H](CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000417212705 225246776 /nfs/dbraw/zinc/24/67/76/225246776.db2.gz BFCZVMRUAVAYRO-KGLIPLIRSA-N 1 0 320.393 1.954 20 5 DDBDRO C[C@@H]1CCCN(c2ccc(C(=O)N(C)CC[NH3+])cc2[N+](=O)[O-])C1 ZINC000424007358 287360556 /nfs/dbraw/zinc/36/05/56/287360556.db2.gz CCDXWDKQFFPHNV-GFCCVEGCSA-N 1 0 320.393 1.862 20 5 DDBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC2(CC[NH2+]2)CC1 ZINC000422631856 227081082 /nfs/dbraw/zinc/08/10/82/227081082.db2.gz FZZAOCTXQSZZHZ-LBPRGKRZSA-N 1 0 318.377 1.750 20 5 DDBDRO O=c1cc2c(n[nH]1)CCN(Cc1c(F)cccc1[N+](=O)[O-])C2 ZINC000360434476 418433706 /nfs/dbraw/zinc/43/37/06/418433706.db2.gz YFYKOSSEYFLDAK-UHFFFAOYSA-N 1 0 304.281 1.788 20 5 DDBDRO Cc1nn(C)c(C(=O)Nc2ccc([C@@H](C)[NH3+])cc2)c1[N+](=O)[O-] ZINC000178202368 221860387 /nfs/dbraw/zinc/86/03/87/221860387.db2.gz JPNQTMWGOKKHDQ-MRVPVSSYSA-N 1 0 303.322 1.909 20 5 DDBDRO CNc1c(C(=O)N2CC[C@H](C[NH+](C)C)C2)cccc1[N+](=O)[O-] ZINC000360920074 418547158 /nfs/dbraw/zinc/54/71/58/418547158.db2.gz UAWJWUBDFGCPOU-LLVKDONJSA-N 1 0 306.366 1.660 20 5 DDBDRO C[C@@H]1CC[NH2+]C[C@H]1NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000193417948 222154573 /nfs/dbraw/zinc/15/45/73/222154573.db2.gz GLTHVDOABQGWFK-ZWNOBZJWSA-N 1 0 313.379 1.012 20 5 DDBDRO CON(C)C(=O)C1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000291369132 222346195 /nfs/dbraw/zinc/34/61/95/222346195.db2.gz ZEGNMNDRDZCPKY-UHFFFAOYSA-N 1 0 307.350 1.827 20 5 DDBDRO [NH3+][C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000375250849 418621717 /nfs/dbraw/zinc/62/17/17/418621717.db2.gz PWBOEISNZFXOGI-ILWJIGKKSA-N 1 0 315.333 1.565 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1N1CCCN(CC[NH+](C)C)CC1 ZINC000361831913 418715855 /nfs/dbraw/zinc/71/58/55/418715855.db2.gz XQNMYCRHOCVJFH-UHFFFAOYSA-N 1 0 306.410 1.977 20 5 DDBDRO COC(=O)c1cnc(N2CC[C@]3(CC[N@H+](C)C3)C2)c([N+](=O)[O-])c1 ZINC000368305463 418717366 /nfs/dbraw/zinc/71/73/66/418717366.db2.gz VZCQDLSTRJNEEB-HNNXBMFYSA-N 1 0 320.349 1.308 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[NH+]2CCC([C@@H]3CCCOC3)CC2)c1 ZINC000367999797 418672619 /nfs/dbraw/zinc/67/26/19/418672619.db2.gz KIICJRHWGOCHGU-CQSZACIVSA-N 1 0 308.382 1.930 20 5 DDBDRO C[C@H]1OCC[C@H]1[N@H+](CCO)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000361588128 418686922 /nfs/dbraw/zinc/68/69/22/418686922.db2.gz XQZHCFNGGAAHAH-CZUORRHYSA-N 1 0 324.377 1.835 20 5 DDBDRO CCO[C@H]1COCC[C@@H]1[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000362016338 418738876 /nfs/dbraw/zinc/73/88/76/418738876.db2.gz AFMVMABLWNPMAH-JSGCOSHPSA-N 1 0 323.349 1.317 20 5 DDBDRO COCC[N@H+](C)C[C@@H](O)COc1c(C)cc(C)cc1[N+](=O)[O-] ZINC000390641835 418754780 /nfs/dbraw/zinc/75/47/80/418754780.db2.gz SMWIWRSGFXCWGI-CYBMUJFWSA-N 1 0 312.366 1.530 20 5 DDBDRO C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000364621812 418794822 /nfs/dbraw/zinc/79/48/22/418794822.db2.gz FBMXTYVBVSNCEX-DCQANWLSSA-N 1 0 309.391 1.522 20 5 DDBDRO O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000372314499 418854814 /nfs/dbraw/zinc/85/48/14/418854814.db2.gz DKAMCVTZWHVIHR-GFCCVEGCSA-N 1 0 320.349 1.396 20 5 DDBDRO C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000365572348 418877891 /nfs/dbraw/zinc/87/78/91/418877891.db2.gz LEFMFKBVTJFPDQ-NMKXLXIOSA-N 1 0 323.418 1.912 20 5 DDBDRO O=C(CNc1ccccc1[N+](=O)[O-])N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000365236078 418843776 /nfs/dbraw/zinc/84/37/76/418843776.db2.gz AWBBHZLBXSWFAH-YPMHNXCESA-N 1 0 304.350 1.217 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000423957329 227823879 /nfs/dbraw/zinc/82/38/79/227823879.db2.gz LTNLLOKWMQZFMH-LBPRGKRZSA-N 1 0 309.370 1.124 20 5 DDBDRO COc1cc(C[N@@H+]2CC[C@@H](CO)[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000425974226 419375761 /nfs/dbraw/zinc/37/57/61/419375761.db2.gz LGIUCRBQQWZHIJ-MNOVXSKESA-N 1 0 310.350 1.815 20 5 DDBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000426884617 419563014 /nfs/dbraw/zinc/56/30/14/419563014.db2.gz YWVACVDUXKFUDI-LBPRGKRZSA-N 1 0 307.350 1.818 20 5 DDBDRO COc1cc(C[NH2+]CC2(CC(N)=O)CC2)c([N+](=O)[O-])cc1OC ZINC000421353022 419576252 /nfs/dbraw/zinc/57/62/52/419576252.db2.gz RQYIOPPWVAEXNE-UHFFFAOYSA-N 1 0 323.349 1.357 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CCC[N@H+](C)[C@H]1C ZINC000427058708 419589935 /nfs/dbraw/zinc/58/99/35/419589935.db2.gz FIPLTUINBOLBGI-GWCFXTLKSA-N 1 0 307.350 1.816 20 5 DDBDRO [NH3+][C@@H]1CCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000428383345 228721163 /nfs/dbraw/zinc/72/11/63/228721163.db2.gz RJXHOBSICXVSIG-MRVPVSSYSA-N 1 0 302.290 1.022 20 5 DDBDRO C[C@H](NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)[C@H]1CCC[NH2+]C1 ZINC000428983376 419956844 /nfs/dbraw/zinc/95/68/44/419956844.db2.gz VGQZJOBNCGDUMF-QWRGUYRKSA-N 1 0 309.370 1.031 20 5 DDBDRO Cc1ccc(NCCCNC(=O)[C@@H]([NH3+])C2CCC2)c([N+](=O)[O-])c1 ZINC000423213969 419987491 /nfs/dbraw/zinc/98/74/91/419987491.db2.gz KVCXUKNKTQRHFC-HNNXBMFYSA-N 1 0 320.393 1.949 20 5 DDBDRO C[NH2+]C[C@H](C)CN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000423273563 420001891 /nfs/dbraw/zinc/00/18/91/420001891.db2.gz LCSSKPMWICCROM-WFASDCNBSA-N 1 0 317.393 1.863 20 5 DDBDRO C[NH2+]C[C@H](C)CNC(=O)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000415415231 420055278 /nfs/dbraw/zinc/05/52/78/420055278.db2.gz LCIPBJTYPQNLIO-VIFPVBQESA-N 1 0 322.365 1.122 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H](NC[C@H]1C[NH2+]CCCO1)CCC2 ZINC000423492143 420059695 /nfs/dbraw/zinc/05/96/95/420059695.db2.gz LWOWDBGALJZDJX-ZBFHGGJFSA-N 1 0 305.378 1.940 20 5 DDBDRO COC(=O)[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)[C@@H]1C ZINC000430231957 420091863 /nfs/dbraw/zinc/09/18/63/420091863.db2.gz DNRHJSRXBUYVDY-MFKMUULPSA-N 1 0 308.334 1.987 20 5 DDBDRO CN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H](C[NH3+])C1CC1 ZINC000420312957 420200639 /nfs/dbraw/zinc/20/06/39/420200639.db2.gz JHWRWCLHTCGQOY-AWEZNQCLSA-N 1 0 306.366 1.593 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000415867121 420203214 /nfs/dbraw/zinc/20/32/14/420203214.db2.gz KLHSVZQLYQKUHT-LLVKDONJSA-N 1 0 320.349 1.100 20 5 DDBDRO Cc1c(NC(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000415873903 420204109 /nfs/dbraw/zinc/20/41/09/420204109.db2.gz VTDBGHNCJWCMFC-LLVKDONJSA-N 1 0 320.349 1.100 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC(C[NH3+])CC1 ZINC000430603101 420153358 /nfs/dbraw/zinc/15/33/58/420153358.db2.gz JAQSDIDZBPSUOJ-UHFFFAOYSA-N 1 0 306.366 1.512 20 5 DDBDRO C[NH2+][C@H]1CCN(CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000430611867 420157091 /nfs/dbraw/zinc/15/70/91/420157091.db2.gz PWFSUUUXGJHTQE-LBPRGKRZSA-N 1 0 306.366 1.526 20 5 DDBDRO C[NH2+]C[C@H]1CCCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000430610901 420157665 /nfs/dbraw/zinc/15/76/65/420157665.db2.gz MIMMCONPZLYCOF-CYBMUJFWSA-N 1 0 320.393 1.773 20 5 DDBDRO [NH3+]C[C@H]1CN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CCO1 ZINC000420233227 420159963 /nfs/dbraw/zinc/15/99/63/420159963.db2.gz FRPKPHUYLPAVTE-ZDUSSCGKSA-N 1 0 314.345 1.821 20 5 DDBDRO Cc1cc(NC[C@@H]2C[NH2+]CCN2C)c2cccc([N+](=O)[O-])c2n1 ZINC000420268220 420174329 /nfs/dbraw/zinc/17/43/29/420174329.db2.gz HMDOXFCBDVXLRJ-LBPRGKRZSA-N 1 0 315.377 1.767 20 5 DDBDRO C[NH2+]C1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000430967027 420228227 /nfs/dbraw/zinc/22/82/27/420228227.db2.gz RBYXEMUOXJWNEB-UHFFFAOYSA-N 1 0 322.365 1.226 20 5 DDBDRO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)[C@H]1C[C@H](F)C[NH2+]1 ZINC000423857635 420230555 /nfs/dbraw/zinc/23/05/55/420230555.db2.gz YRRZZUWZLUZAGJ-GZMMTYOYSA-N 1 0 301.705 1.564 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC[C@@H](C)C[NH3+])c1 ZINC000420424091 420277221 /nfs/dbraw/zinc/27/72/21/420277221.db2.gz NNAXBMKUJIAGJA-VIFPVBQESA-N 1 0 301.368 1.085 20 5 DDBDRO CCCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@@H]1CC[NH2+]C1 ZINC000430947173 420219008 /nfs/dbraw/zinc/21/90/08/420219008.db2.gz ZPCITLGNEKBTKO-CQSZACIVSA-N 1 0 320.393 1.916 20 5 DDBDRO NC(=O)c1cccc([N+](=O)[O-])c1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000420590590 420325454 /nfs/dbraw/zinc/32/54/54/420325454.db2.gz VUFNGXOBNLBSIO-WDEREUQCSA-N 1 0 304.350 1.732 20 5 DDBDRO C[NH+](C)C1(CNc2ccc3ncc([N+](=O)[O-])n3n2)CCOCC1 ZINC000301889250 229962505 /nfs/dbraw/zinc/96/25/05/229962505.db2.gz SDNOTEILOUITND-UHFFFAOYSA-N 1 0 320.353 1.160 20 5 DDBDRO C[NH+](C)[C@H](CNc1ncc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000302149582 230125634 /nfs/dbraw/zinc/12/56/34/230125634.db2.gz JTBHITHPXDXTIP-ZDUSSCGKSA-N 1 0 301.350 1.970 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](c2nnc[nH]2)C1 ZINC000425550237 420415963 /nfs/dbraw/zinc/41/59/63/420415963.db2.gz OTZBVBMXRYQWNI-JTQLQIEISA-N 1 0 303.322 1.711 20 5 DDBDRO [NH3+]C[C@H](NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000417717364 420459654 /nfs/dbraw/zinc/45/96/54/420459654.db2.gz KHMGNXCPVJKHTM-HNNXBMFYSA-N 1 0 320.393 1.954 20 5 DDBDRO Cc1ccsc1C[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000438781968 420465406 /nfs/dbraw/zinc/46/54/06/420465406.db2.gz AAUIHMJDCILHFT-LBPRGKRZSA-N 1 0 310.379 1.654 20 5 DDBDRO CC1(C)[C@H]([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)[C@@H]2CCCO[C@H]21 ZINC000451475147 420600628 /nfs/dbraw/zinc/60/06/28/420600628.db2.gz BTTURNWTMUYMJM-NWANDNLSSA-N 1 0 321.377 1.550 20 5 DDBDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000457084526 420605718 /nfs/dbraw/zinc/60/57/18/420605718.db2.gz LOJAIMPTDCJHML-CQSZACIVSA-N 1 0 321.377 1.915 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)n1 ZINC000450865648 420547589 /nfs/dbraw/zinc/54/75/89/420547589.db2.gz SJMYVXLANPDAQL-IACUBPJLSA-N 1 0 306.366 1.729 20 5 DDBDRO C[C@H]1C[N@H+](CCO)CCN1c1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000450952766 420569226 /nfs/dbraw/zinc/56/92/26/420569226.db2.gz IZHGPEZCRNHPNK-LBPRGKRZSA-N 1 0 316.361 1.646 20 5 DDBDRO CCOc1cc(N2CC[N@H+](CCO)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000450958718 420571454 /nfs/dbraw/zinc/57/14/54/420571454.db2.gz WPLQARPVOZHQEF-GFCCVEGCSA-N 1 0 309.366 1.496 20 5 DDBDRO CNc1nc(C(=O)NCCC[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000454338628 420840958 /nfs/dbraw/zinc/84/09/58/420840958.db2.gz ANLAPYHJQJGUOM-UHFFFAOYSA-N 1 0 307.354 1.247 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCNc1cnccn1)CCC2 ZINC000447582152 420784576 /nfs/dbraw/zinc/78/45/76/420784576.db2.gz YFXFSJHVKJXWFV-HNNXBMFYSA-N 1 0 313.361 2.464 20 5 DDBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@@H](CO)[C@H]3CCCO3)nc2c1 ZINC000447913608 420816206 /nfs/dbraw/zinc/81/62/06/420816206.db2.gz MXEUZICKIPGJQL-QWHCGFSZSA-N 1 0 306.322 1.101 20 5 DDBDRO O=C(/C=C\c1ccc(F)cc1[N+](=O)[O-])N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000493857198 420959038 /nfs/dbraw/zinc/95/90/38/420959038.db2.gz PLFNQAIQTPQRIM-AGQFFEFTSA-N 1 0 305.309 1.425 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCN1CCOC[C@H]1C ZINC000449222740 420972067 /nfs/dbraw/zinc/97/20/67/420972067.db2.gz IMDDYRMETCFJIA-ZIAGYGMSSA-N 1 0 307.394 1.836 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000449638824 421041436 /nfs/dbraw/zinc/04/14/36/421041436.db2.gz MIKWELODSUOCGW-MNOVXSKESA-N 1 0 307.350 1.851 20 5 DDBDRO CNc1nc(C(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000455879218 421072150 /nfs/dbraw/zinc/07/21/50/421072150.db2.gz CBBPRZDXJQOUEJ-UWVGGRQHSA-N 1 0 319.365 1.387 20 5 DDBDRO C[NH+](C)C[C@@](C)(O)CNc1nccc2c1cccc2[N+](=O)[O-] ZINC000450410095 421194211 /nfs/dbraw/zinc/19/42/11/421194211.db2.gz VOIOMQBOOVUCLH-HNNXBMFYSA-N 1 0 304.350 1.868 20 5 DDBDRO COc1ccc(CC(=O)NCC[N@@H+]2CC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000525291757 421284848 /nfs/dbraw/zinc/28/48/48/421284848.db2.gz PWAZROBVYGLOJA-LBPRGKRZSA-N 1 0 321.377 1.604 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCN(Cc3cncc(F)c3)CC2)cn1 ZINC000561849854 421335898 /nfs/dbraw/zinc/33/58/98/421335898.db2.gz LQDSRIVZKGURQD-UHFFFAOYSA-N 1 0 317.324 1.846 20 5 DDBDRO Nc1nccc(C(=O)NCCC[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000562297256 421348529 /nfs/dbraw/zinc/34/85/29/421348529.db2.gz IPQGGWIFUHVRCQ-UHFFFAOYSA-N 1 0 307.354 1.178 20 5 DDBDRO C[C@H](CNC(=O)c1ccnc(N)c1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000547730703 421360973 /nfs/dbraw/zinc/36/09/73/421360973.db2.gz OIIBJYJHKMYNGQ-LLVKDONJSA-N 1 0 321.381 1.422 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[NH2+]C[C@@H](O)Cc2ccc(F)cc2)c1 ZINC000563529770 421518492 /nfs/dbraw/zinc/51/84/92/421518492.db2.gz FJCFRTBMKWIJKV-AWEZNQCLSA-N 1 0 308.313 1.124 20 5 DDBDRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000563165044 421465872 /nfs/dbraw/zinc/46/58/72/421465872.db2.gz ZYRYPSSNFFZIIW-WCBMZHEXSA-N 1 0 307.306 1.051 20 5 DDBDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000516490536 421547766 /nfs/dbraw/zinc/54/77/66/421547766.db2.gz TYMIBVISCYULJZ-LLVKDONJSA-N 1 0 321.381 1.422 20 5 DDBDRO COC(=O)CC1([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000516655090 421560142 /nfs/dbraw/zinc/56/01/42/421560142.db2.gz XSOKLOMMTJIRDQ-UHFFFAOYSA-N 1 0 304.306 1.656 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@H]1CCCS1 ZINC000516277339 421538707 /nfs/dbraw/zinc/53/87/07/421538707.db2.gz ZKKIUNRAZWDBIG-VXGBXAGGSA-N 1 0 312.391 1.820 20 5 DDBDRO COc1ccc(CC(=O)NC[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000570389778 421642437 /nfs/dbraw/zinc/64/24/37/421642437.db2.gz AXTDQYTVJPELSH-LBPRGKRZSA-N 1 0 307.350 1.262 20 5 DDBDRO O=C(COC1CC[NH2+]CC1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000570567492 421654825 /nfs/dbraw/zinc/65/48/25/421654825.db2.gz BRNXMNGMUIJCNI-UHFFFAOYSA-N 1 0 319.361 1.248 20 5 DDBDRO CCN1CCC([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000554635244 421656775 /nfs/dbraw/zinc/65/67/75/421656775.db2.gz BYNNLWXHQNUHEG-OAHLLOKOSA-N 1 0 323.393 1.408 20 5 DDBDRO Cc1c(CC(=O)NCC[N@H+]2CC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000533497593 421675849 /nfs/dbraw/zinc/67/58/49/421675849.db2.gz ZJUCRESSNMQLHR-GFCCVEGCSA-N 1 0 305.378 1.904 20 5 DDBDRO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000557035875 421757589 /nfs/dbraw/zinc/75/75/89/421757589.db2.gz RFYBAJFGDWLBCV-LBPRGKRZSA-N 1 0 309.366 1.417 20 5 DDBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000572605467 421806187 /nfs/dbraw/zinc/80/61/87/421806187.db2.gz LOTOCSZDDDVWGV-NSHDSACASA-N 1 0 320.393 1.979 20 5 DDBDRO CCc1n[nH]c(C(=O)N2[C@@H](C)C[NH+](CC)C[C@@H]2C)c1[N+](=O)[O-] ZINC000573697417 422003427 /nfs/dbraw/zinc/00/34/27/422003427.db2.gz SWTQUTIBHGJOJS-UWVGGRQHSA-N 1 0 309.370 1.435 20 5 DDBDRO C[C@@H]1C[C@H](C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@@H](C)O1 ZINC000574750509 422171390 /nfs/dbraw/zinc/17/13/90/422171390.db2.gz VMMBVZJAJDSQRP-AAVRWANBSA-N 1 0 324.377 1.738 20 5 DDBDRO C[N@H+](CCCO)C1CCN(c2ncc([N+](=O)[O-])cc2F)CC1 ZINC000574500041 422119834 /nfs/dbraw/zinc/11/98/34/422119834.db2.gz NYICHXTWTHTGKZ-UHFFFAOYSA-N 1 0 312.345 1.412 20 5 DDBDRO Nc1nccc(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000594418493 422347553 /nfs/dbraw/zinc/34/75/53/422347553.db2.gz JMOKFPHYETVWSR-RYUDHWBXSA-N 1 0 319.365 1.319 20 5 DDBDRO CCN(C(=O)c1ccnc(NC)c1[N+](=O)[O-])[C@@H]1CC[N@H+](CC)C1 ZINC000598038606 422393441 /nfs/dbraw/zinc/39/34/41/422393441.db2.gz FCMPLJQRGHXUOY-LLVKDONJSA-N 1 0 321.381 1.588 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)n1 ZINC000578231669 422528562 /nfs/dbraw/zinc/52/85/62/422528562.db2.gz YJHFYDWWQIWXTB-GARJFASQSA-N 1 0 307.354 1.011 20 5 DDBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000319969835 271025027 /nfs/dbraw/zinc/02/50/27/271025027.db2.gz DDVVSUJSXXUVII-GLPPDTDBSA-N 1 0 301.346 1.818 20 5 DDBDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000344621519 272072275 /nfs/dbraw/zinc/07/22/75/272072275.db2.gz SWJUAFZLFKQCJF-GFCCVEGCSA-N 1 0 321.381 1.422 20 5 DDBDRO CCCc1n[nH]c(C(=O)N[C@H]2CCC[N@H+](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000345282723 272208378 /nfs/dbraw/zinc/20/83/78/272208378.db2.gz GQZPHLHXPBGOES-ZJUUUORDSA-N 1 0 309.370 1.483 20 5 DDBDRO COC(=O)c1cc(N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cc(C)c1[N+](=O)[O-] ZINC000278820225 274000553 /nfs/dbraw/zinc/00/05/53/274000553.db2.gz TWFHHXAKGHEMSW-TXEJJXNPSA-N 1 0 319.361 1.688 20 5 DDBDRO COCC[N@H+]1[C@H](C)CN(c2ccc([N+](=O)[O-])c(C)n2)C[C@@H]1C ZINC000131934528 274034755 /nfs/dbraw/zinc/03/47/55/274034755.db2.gz YJLDOBKMMRLHAQ-TXEJJXNPSA-N 1 0 308.382 1.844 20 5 DDBDRO C[C@@H]1C[C@@H](NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC[NH2+]1 ZINC000262955597 274391980 /nfs/dbraw/zinc/39/19/80/274391980.db2.gz VXTYATDEVFZRAL-BDAKNGLRSA-N 1 0 303.322 1.341 20 5 DDBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000455035448 276011272 /nfs/dbraw/zinc/01/12/72/276011272.db2.gz HGCYSIHLMZFIRV-NSHDSACASA-N 1 0 307.354 1.408 20 5 DDBDRO CC[NH+]1CCN([C@H]2CCN(c3ncc([N+](=O)[O-])cc3C)C2)CC1 ZINC000264454063 276202102 /nfs/dbraw/zinc/20/21/02/276202102.db2.gz IVJRKKRCAQMWEK-AWEZNQCLSA-N 1 0 319.409 1.514 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](C(=O)NC)C1 ZINC000175221364 276376599 /nfs/dbraw/zinc/37/65/99/276376599.db2.gz CZJCLYVWZDLIJD-GFCCVEGCSA-N 1 0 321.377 1.952 20 5 DDBDRO CN1CC[NH2+]C[C@@H]1CN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000423517860 277116187 /nfs/dbraw/zinc/11/61/87/277116187.db2.gz OJFZKFMBVPZIDI-ZBFHGGJFSA-N 1 0 304.394 1.465 20 5 DDBDRO COCC[N@H+](C)CCNC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000171210517 277212248 /nfs/dbraw/zinc/21/22/48/277212248.db2.gz QDXNXHSOBUHOOO-UHFFFAOYSA-N 1 0 324.381 1.314 20 5 DDBDRO C[NH2+]C[C@@H]1CCCN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000430552418 277278708 /nfs/dbraw/zinc/27/87/08/277278708.db2.gz BGSHHXKFCGVSSO-AWEZNQCLSA-N 1 0 320.393 1.916 20 5 DDBDRO CNc1nc(C(=O)NC[C@H](C2CC2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000454896557 277303891 /nfs/dbraw/zinc/30/38/91/277303891.db2.gz PALXIXVNHWLTHU-GFCCVEGCSA-N 1 0 307.354 1.102 20 5 DDBDRO C[C@H](CNc1ccc2ncc([N+](=O)[O-])n2n1)C[NH+]1CCCC1 ZINC000302688249 279355241 /nfs/dbraw/zinc/35/52/41/279355241.db2.gz ULDKMBBPMXMYSC-LLVKDONJSA-N 1 0 304.354 1.781 20 5 DDBDRO O=C(NCC1C[NH2+]C1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000261893842 279837680 /nfs/dbraw/zinc/83/76/80/279837680.db2.gz CPGYJDMWNVXBPA-UHFFFAOYSA-N 1 0 314.139 1.307 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000047923183 280874186 /nfs/dbraw/zinc/87/41/86/280874186.db2.gz RORBOQQNBDOAKT-ZDUSSCGKSA-N 1 0 307.350 1.673 20 5 DDBDRO C[C@H](C(=O)NCCn1cc([N+](=O)[O-])cn1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000247560919 289354054 /nfs/dbraw/zinc/35/40/54/289354054.db2.gz RUTCSOCQJFSGIP-GRYCIOLGSA-N 1 0 309.370 1.169 20 5 DDBDRO C[NH+]1C[C@@H]2CN(C(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)C[C@H]2C1 ZINC000347681310 290282028 /nfs/dbraw/zinc/28/20/28/290282028.db2.gz JHOHQMYMDWVGGB-CHWSQXEVSA-N 1 0 317.389 1.892 20 5 DDBDRO Cn1c(Sc2ncc([N+](=O)[O-])cn2)nnc1C1CC[NH2+]CC1 ZINC000354611747 298480377 /nfs/dbraw/zinc/48/03/77/298480377.db2.gz YTIFBGVXFOGCET-UHFFFAOYSA-N 1 0 321.366 1.132 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000357911253 299018105 /nfs/dbraw/zinc/01/81/05/299018105.db2.gz ROWSDEGPZZIVCY-LLVKDONJSA-N 1 0 319.361 1.984 20 5 DDBDRO CC(C)[C@H](CO)[NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000362179028 300022766 /nfs/dbraw/zinc/02/27/66/300022766.db2.gz LCQJHNIRVDZGGA-NSHDSACASA-N 1 0 315.757 1.793 20 5 DDBDRO O=[N+]([O-])c1cc(CN2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cs1 ZINC000363707842 300300608 /nfs/dbraw/zinc/30/06/08/300300608.db2.gz BAKPSZYKDNBLRN-QWHCGFSZSA-N 1 0 311.407 1.687 20 5 DDBDRO NC(=O)[C@@H]1CC[C@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000574804304 304685275 /nfs/dbraw/zinc/68/52/75/304685275.db2.gz XUZMXMUHNUQAST-MNOVXSKESA-N 1 0 320.349 1.167 20 5 DDBDRO C[C@H]1CN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC[C@@H]1[NH3+] ZINC000574917411 304697737 /nfs/dbraw/zinc/69/77/37/304697737.db2.gz YRCGQLWINJKCIV-WPRPVWTQSA-N 1 0 307.306 1.133 20 5 DDBDRO NC(=O)C[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000368578521 301056643 /nfs/dbraw/zinc/05/66/43/301056643.db2.gz NXAYONWCSCISKM-JTQLQIEISA-N 1 0 321.333 1.159 20 5 DDBDRO O=[N+]([O-])c1ccccc1N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000369349358 301169242 /nfs/dbraw/zinc/16/92/42/301169242.db2.gz YQKXCEHRKWQMKS-AWEZNQCLSA-N 1 0 320.393 1.413 20 5 DDBDRO COc1ccc(C[NH2+][C@H]2CC(=O)N3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000370288653 301310441 /nfs/dbraw/zinc/31/04/41/301310441.db2.gz OMQMPQYJGMOWTK-STQMWFEESA-N 1 0 319.361 1.846 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC(OCCC[NH3+])CC2)c1 ZINC000178203935 301848134 /nfs/dbraw/zinc/84/81/34/301848134.db2.gz CHKJKXWBEMFBKB-UHFFFAOYSA-N 1 0 321.377 1.873 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000378404076 302322748 /nfs/dbraw/zinc/32/27/48/302322748.db2.gz OIXPAVNFVLGQQB-UHFFFAOYSA-N 1 0 319.361 1.819 20 5 DDBDRO C[C@H]([NH2+][C@H]1CCN(S(C)(=O)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000400235857 302368696 /nfs/dbraw/zinc/36/86/96/302368696.db2.gz UVTZACQIVOIASB-JQWIXIFHSA-N 1 0 313.379 1.279 20 5 DDBDRO CC[NH+](CC)CC[C@@H](CO)NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000538821656 303390610 /nfs/dbraw/zinc/39/06/10/303390610.db2.gz UKHWMWWHHZLMFP-AWEZNQCLSA-N 1 0 323.393 1.346 20 5 DDBDRO CC[NH+](CC)CCOCCNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000544587809 303474547 /nfs/dbraw/zinc/47/45/47/303474547.db2.gz JWMIMQRZOGFERC-UHFFFAOYSA-N 1 0 323.393 1.991 20 5 DDBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000562796806 303894353 /nfs/dbraw/zinc/89/43/53/303894353.db2.gz HWHOTBMQBWWSPC-OKILXGFUSA-N 1 0 318.377 1.736 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000365189306 307061222 /nfs/dbraw/zinc/06/12/22/307061222.db2.gz BAXCGHTYRUIMBE-ZBFHGGJFSA-N 1 0 319.361 1.999 20 5 DDBDRO C[NH+](C)[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000365309861 307064194 /nfs/dbraw/zinc/06/41/94/307064194.db2.gz LIBLPDKUBHABEO-JTQLQIEISA-N 1 0 307.354 1.128 20 5 DDBDRO C[N@@H+]1CCC[C@@H]1CCN1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369017392 307114413 /nfs/dbraw/zinc/11/44/13/307114413.db2.gz OIDFLILIDQXYMR-KGLIPLIRSA-N 1 0 307.398 1.913 20 5 DDBDRO O=C(COc1ccccc1[N+](=O)[O-])N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000373938681 307198159 /nfs/dbraw/zinc/19/81/59/307198159.db2.gz OGZYIQHHQBBERN-OLZOCXBDSA-N 1 0 319.361 1.717 20 5 DDBDRO O=C(C[NH2+][C@H]1CCO[C@@H]1C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000375440610 307226702 /nfs/dbraw/zinc/22/67/02/307226702.db2.gz YCTPYWFENONTTA-SWLSCSKDSA-N 1 0 305.334 1.690 20 5 DDBDRO C[C@H]1CC[C@H](C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)O1 ZINC000530443444 307597567 /nfs/dbraw/zinc/59/75/67/307597567.db2.gz DYRKYTWFBMHKPS-GXTWGEPZSA-N 1 0 306.366 1.679 20 5 DDBDRO CC[NH+](CC)CCN(CCOC)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532392850 307630615 /nfs/dbraw/zinc/63/06/15/307630615.db2.gz VHVMUWMRXUMZLS-UHFFFAOYSA-N 1 0 324.381 1.420 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCN1C(=O)CNC1=O ZINC000545010404 307720238 /nfs/dbraw/zinc/72/02/38/307720238.db2.gz NMNJTLRMCVSNHG-JTQLQIEISA-N 1 0 306.322 1.106 20 5 DDBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2NC[C@@H](O)C[NH+]1CCCC1 ZINC000563419475 307969685 /nfs/dbraw/zinc/96/96/85/307969685.db2.gz WQOABPKQSLKQTC-IUODEOHRSA-N 1 0 305.378 1.628 20 5 DDBDRO CO[C@@H]1COC[C@H]1[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000563535183 307973908 /nfs/dbraw/zinc/97/39/08/307973908.db2.gz PSZHKZCGNBMOKY-LERXQTSPSA-N 1 0 323.349 1.315 20 5 DDBDRO COc1ccc(CC(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000565417666 308030429 /nfs/dbraw/zinc/03/04/29/308030429.db2.gz IOYFINVYCDWAFU-YPMHNXCESA-N 1 0 321.377 1.650 20 5 DDBDRO COc1ccc(CNC(=O)N2CCC[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000573307778 308236236 /nfs/dbraw/zinc/23/62/36/308236236.db2.gz JHEUUNBMQSMKEK-LBPRGKRZSA-N 1 0 322.365 1.484 20 5 DDBDRO CC(C)(C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C(F)(F)F ZINC000573713988 308250555 /nfs/dbraw/zinc/25/05/55/308250555.db2.gz BDMMINNFYYSNGN-VIFPVBQESA-N 1 0 310.276 1.330 20 5 DDBDRO COc1ccc(CC(=O)N[C@@H]2CC[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000573723088 308251133 /nfs/dbraw/zinc/25/11/33/308251133.db2.gz TWTFSQSVMIJGGU-NWDGAFQWSA-N 1 0 307.350 1.390 20 5 DDBDRO C[C@H](C(=O)NC[C@H]1C[N@H+](C)CCN1C)c1cccc([N+](=O)[O-])c1 ZINC000576417992 308313360 /nfs/dbraw/zinc/31/33/60/308313360.db2.gz JABILEHYQLUWAJ-WFASDCNBSA-N 1 0 320.393 1.060 20 5 DDBDRO CC(C)(C)[C@@H](O)C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000576668838 308331208 /nfs/dbraw/zinc/33/12/08/308331208.db2.gz PNZVTTCBWYLRDM-ZDUSSCGKSA-N 1 0 308.382 1.519 20 5 DDBDRO Cc1csc(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)n1 ZINC000576862756 308344994 /nfs/dbraw/zinc/34/49/94/308344994.db2.gz BWJFLNXLJXVPBQ-GFCCVEGCSA-N 1 0 323.374 1.889 20 5 DDBDRO C[N@@H+]1CC[C@@H](C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000577101047 308362927 /nfs/dbraw/zinc/36/29/27/308362927.db2.gz UVGUXUJVGCOSMU-GFCCVEGCSA-N 1 0 316.361 1.687 20 5 DDBDRO C[C@H]([NH2+][C@H]1C[C@H](O)C1(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000577290581 308377608 /nfs/dbraw/zinc/37/76/08/308377608.db2.gz RGSMDQRISPAAAB-XDTLVQLUSA-N 1 0 307.350 1.671 20 5 DDBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000581992426 325948594 /nfs/dbraw/zinc/94/85/94/325948594.db2.gz KQSUOVSMYHMSOS-OLZOCXBDSA-N 1 0 304.350 1.631 20 5 DDBDRO CC[C@H]1C[N@H+](C)CCN1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000582961068 337218954 /nfs/dbraw/zinc/21/89/54/337218954.db2.gz NAGWPXJPPUBOJV-NSHDSACASA-N 1 0 303.366 1.997 20 5 DDBDRO C[C@H](C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CC(F)(F)F ZINC000396968672 337242619 /nfs/dbraw/zinc/24/26/19/337242619.db2.gz YLOJZKVPWVQLGN-WCBMZHEXSA-N 1 0 310.276 1.330 20 5 DDBDRO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CC[C@H]1[NH3+] ZINC000583262368 337293797 /nfs/dbraw/zinc/29/37/97/337293797.db2.gz XXAWPFRJGOYCHO-BXKDBHETSA-N 1 0 321.333 1.175 20 5 DDBDRO COc1cc(C(=O)N2CC[C@@H]3C[N@H+](C)C[C@H]32)c([N+](=O)[O-])cc1F ZINC000590767508 483927343 /nfs/dbraw/zinc/92/73/43/483927343.db2.gz ILGYEBQLIKQDOU-NOZJJQNGSA-N 1 0 323.324 1.519 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000228074786 500964791 /nfs/dbraw/zinc/96/47/91/500964791.db2.gz VOVUQSBZXHMHED-MNOVXSKESA-N 1 0 313.379 1.261 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H]1CCOC[C@H]1C ZINC000433179287 534339635 /nfs/dbraw/zinc/33/96/35/534339635.db2.gz WEUKLLXZUAUHFM-DGCLKSJQSA-N 1 0 307.350 1.856 20 5 DDBDRO O=C(NCC[C@H]1CC[NH2+]C1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000422802284 534432816 /nfs/dbraw/zinc/43/28/16/534432816.db2.gz GZMXDXOCFXPBCR-LLVKDONJSA-N 1 0 314.345 1.872 20 5 DDBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000331338432 534446666 /nfs/dbraw/zinc/44/66/66/534446666.db2.gz JMEIXTJWSHQKBG-QWHCGFSZSA-N 1 0 320.393 1.948 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000435235308 534627949 /nfs/dbraw/zinc/62/79/49/534627949.db2.gz MFGVPODSPBOFMY-CYBMUJFWSA-N 1 0 305.334 1.327 20 5 DDBDRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000158397044 527232205 /nfs/dbraw/zinc/23/22/05/527232205.db2.gz AHWGPOIKBLMUSP-SKDRFNHKSA-N 1 0 317.349 1.718 20 5 DDBDRO CCCN(C(=O)NCCc1ccc([N+](=O)[O-])cc1)[C@H]1CC[NH2+]C1 ZINC000417236823 527754403 /nfs/dbraw/zinc/75/44/03/527754403.db2.gz VDPDOCGVTHNPQM-HNNXBMFYSA-N 1 0 320.393 1.921 20 5 DDBDRO CCOC(=O)c1ccnc(NCC2([NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000419010224 528272669 /nfs/dbraw/zinc/27/26/69/528272669.db2.gz OUUZMKDHBNTTBH-UHFFFAOYSA-N 1 0 308.338 1.673 20 5 DDBDRO CC1(C)COC[C@H]1[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000451811371 529134286 /nfs/dbraw/zinc/13/42/86/529134286.db2.gz QRLMPFBMQHJBDL-CYBMUJFWSA-N 1 0 307.350 1.938 20 5 DDBDRO O=C(NC1CCC([NH+]2CCCCC2)CC1)c1cc([N+](=O)[O-])n[nH]1 ZINC000797024875 699991140 /nfs/dbraw/zinc/99/11/40/699991140.db2.gz HKLMTAVYHYHLEJ-UHFFFAOYSA-N 1 0 321.381 1.845 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CCC[N@@H+](C)CC2)cc1[N+](=O)[O-] ZINC000020479220 696070935 /nfs/dbraw/zinc/07/09/35/696070935.db2.gz JRHCGTRGJFSPAN-UHFFFAOYSA-N 1 0 322.321 1.589 20 5 DDBDRO [NH3+]C[C@H]1CCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000050246568 696229818 /nfs/dbraw/zinc/22/98/18/696229818.db2.gz KHYUSOPMEYRBJD-MRVPVSSYSA-N 1 0 319.770 1.218 20 5 DDBDRO O=C1OCC[C@H]1CC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000120647400 696698635 /nfs/dbraw/zinc/69/86/35/696698635.db2.gz QAGWSUMBXJLCBW-NEPJUHHUSA-N 1 0 320.349 1.429 20 5 DDBDRO [NH3+][C@@H]1CCC[C@H](NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000125077587 696749360 /nfs/dbraw/zinc/74/93/60/696749360.db2.gz OJJXENMRXHXAOA-BDAKNGLRSA-N 1 0 317.342 1.282 20 5 DDBDRO C[NH+](C)C[C@H]1CCN(Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000153150329 696910648 /nfs/dbraw/zinc/91/06/48/696910648.db2.gz WRIVFZWEAOKMMS-GFCCVEGCSA-N 1 0 303.366 1.786 20 5 DDBDRO Cc1ccncc1C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000983650498 697286456 /nfs/dbraw/zinc/28/64/56/697286456.db2.gz UZGLPFNSLALPAY-NMFUWQPSSA-N 1 0 318.377 1.040 20 5 DDBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@@H](C)C[NH3+] ZINC000178957993 697431827 /nfs/dbraw/zinc/43/18/27/697431827.db2.gz ZMLHOAWPGFRPAD-QMMMGPOBSA-N 1 0 321.786 1.524 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000228155148 697773423 /nfs/dbraw/zinc/77/34/23/697773423.db2.gz ZUOQHKBOYKDMGM-QWRGUYRKSA-N 1 0 313.379 1.261 20 5 DDBDRO Cn1nccc1CC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000774361389 697872405 /nfs/dbraw/zinc/87/24/05/697872405.db2.gz XSUHSQDNYJRWCM-UONOGXRCSA-N 1 0 318.381 1.841 20 5 DDBDRO Cc1nn(CN2CCN(c3cc[nH+]cc3)CC2)cc1[N+](=O)[O-] ZINC000779859676 698476335 /nfs/dbraw/zinc/47/63/35/698476335.db2.gz LBSQMXQQFBAWJJ-UHFFFAOYSA-N 1 0 302.338 1.274 20 5 DDBDRO O=C(CN1CC[C@@]2(CCC[NH2+]2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000420412233 699139559 /nfs/dbraw/zinc/13/95/59/699139559.db2.gz YLOWHGSIVUTPEH-HNNXBMFYSA-N 1 0 304.350 1.361 20 5 DDBDRO CCOc1ccc(C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)cc1[N+](=O)[O-] ZINC000424022831 699147280 /nfs/dbraw/zinc/14/72/80/699147280.db2.gz DVOVAAFDJAMAOF-INIZCTEOSA-N 1 0 319.361 1.962 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000424034316 699147786 /nfs/dbraw/zinc/14/77/86/699147786.db2.gz ZVVQQKZDJQYYSV-OAHLLOKOSA-N 1 0 305.334 1.572 20 5 DDBDRO C[C@H](CN1CCOCC1)[N@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000789334033 699378215 /nfs/dbraw/zinc/37/82/15/699378215.db2.gz FUTRFFVAIWCMTP-CZUORRHYSA-N 1 0 323.393 1.281 20 5 DDBDRO CC(C)[C@H](C[NH+](C)C)NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000733167335 699581934 /nfs/dbraw/zinc/58/19/34/699581934.db2.gz VYUHPNFAYVPREV-AWEZNQCLSA-N 1 0 309.366 1.676 20 5 DDBDRO C[C@H]1CC[N@H+](CCNC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C1 ZINC000744800166 699961312 /nfs/dbraw/zinc/96/13/12/699961312.db2.gz UIPAULPENBVXKW-LBPRGKRZSA-N 1 0 320.393 1.732 20 5 DDBDRO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000801886564 700350733 /nfs/dbraw/zinc/35/07/33/700350733.db2.gz CGFKTDKECKPRNX-SNVBAGLBSA-N 1 0 322.340 1.530 20 5 DDBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000762720667 700904659 /nfs/dbraw/zinc/90/46/59/700904659.db2.gz YPCWMVQWVDHTRT-YHVDPYDOSA-N 1 0 319.361 1.181 20 5 DDBDRO COc1cc(NC[C@@]2(O)CC[N@H+](C)C2)c([N+](=O)[O-])cc1OC ZINC000762817209 700908451 /nfs/dbraw/zinc/90/84/51/700908451.db2.gz ZACHRROYHAFNEF-AWEZNQCLSA-N 1 0 311.338 1.091 20 5 DDBDRO C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839718436 701796133 /nfs/dbraw/zinc/79/61/33/701796133.db2.gz POWFVVJUBHXFIP-WMHQRMGPSA-N 1 0 317.389 1.773 20 5 DDBDRO Cc1cncc([N+](=O)[O-])c1NC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879214394 706616619 /nfs/dbraw/zinc/61/66/19/706616619.db2.gz QSVROAPUFFUICX-RYUDHWBXSA-N 1 0 319.365 1.278 20 5 DDBDRO C[C@@]([NH3+])(C(=O)NC[C@H]1CCCS1)c1cccc([N+](=O)[O-])c1 ZINC000867945307 701846228 /nfs/dbraw/zinc/84/62/28/701846228.db2.gz TXNQARWSLZRGSI-OCCSQVGLSA-N 1 0 309.391 1.781 20 5 DDBDRO C[C@H]([NH2+]CCN1CCO[C@H](C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815575902 701898968 /nfs/dbraw/zinc/89/89/68/701898968.db2.gz DVCNVURCEVATPI-NEPJUHHUSA-N 1 0 308.382 1.548 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CC[C@@](O)(C(F)F)C2)cc1 ZINC000831175545 706650460 /nfs/dbraw/zinc/65/04/60/706650460.db2.gz LMYQXBGVAGAOLT-YPMHNXCESA-N 1 0 302.277 1.330 20 5 DDBDRO CNC(=O)NC[C@@H]1CCCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000879333678 706652852 /nfs/dbraw/zinc/65/28/52/706652852.db2.gz CMRHQRZYCXRUOO-HNNXBMFYSA-N 1 0 320.393 1.921 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3CCCNC3)CC2)cc1 ZINC000841041628 702320207 /nfs/dbraw/zinc/32/02/07/702320207.db2.gz BRYSXVCUNJOPQD-CQSZACIVSA-N 1 0 304.394 1.905 20 5 DDBDRO [NH3+]C1(CO)CCN(c2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000813593967 702379614 /nfs/dbraw/zinc/37/96/14/702379614.db2.gz HSXWYIGAMJECDL-UHFFFAOYSA-N 1 0 302.334 1.433 20 5 DDBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H](CO)c1cnn(C)c1 ZINC000866310965 706670654 /nfs/dbraw/zinc/67/06/54/706670654.db2.gz HPIAFCDOPFTEGC-YGRLFVJLSA-N 1 0 322.340 1.722 20 5 DDBDRO Cc1c(C(=O)N2CC[NH2+]C(C)(C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000817993996 702546462 /nfs/dbraw/zinc/54/64/62/702546462.db2.gz VPWNMCSWHPLOFK-UHFFFAOYSA-N 1 0 322.321 1.635 20 5 DDBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000841857310 702590148 /nfs/dbraw/zinc/59/01/48/702590148.db2.gz GUWGMJMYOOXSGL-RNCFNFMXSA-N 1 0 324.768 1.752 20 5 DDBDRO CO[C@@](C)(CO)C[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866384617 706686733 /nfs/dbraw/zinc/68/67/33/706686733.db2.gz NECXOEOISHBPOZ-QMTHXVAHSA-N 1 0 300.330 1.652 20 5 DDBDRO C[C@@H]1CN(c2nc3ccccn3c2[N+](=O)[O-])[C@@H](C)C[N@@H+]1CCO ZINC000842047197 702663322 /nfs/dbraw/zinc/66/33/22/702663322.db2.gz MISZGXMZKAQFID-NEPJUHHUSA-N 1 0 319.365 1.134 20 5 DDBDRO [NH3+]C1(CNS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCC1 ZINC000842759310 702768408 /nfs/dbraw/zinc/76/84/08/702768408.db2.gz RRPUXEGJAVBQED-UHFFFAOYSA-N 1 0 319.770 1.408 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CC2(CO)CCOCC2)cc1 ZINC000843075572 702814334 /nfs/dbraw/zinc/81/43/34/702814334.db2.gz MMOBFHQVGJRUOQ-CQSZACIVSA-N 1 0 310.350 1.007 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@@H](O)C2CCOCC2)c1 ZINC000843083988 702815894 /nfs/dbraw/zinc/81/58/94/702815894.db2.gz TXTMEMZKJWMKMU-CABCVRRESA-N 1 0 310.350 1.005 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]Cc2cccc(CO)n2)cc1 ZINC000843111212 702820987 /nfs/dbraw/zinc/82/09/87/702820987.db2.gz FBMBCPWSMHHJDV-OAHLLOKOSA-N 1 0 303.318 1.305 20 5 DDBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N[C@H]1CCC[NH2+]C1 ZINC000843304515 702856736 /nfs/dbraw/zinc/85/67/36/702856736.db2.gz JXVRWUVSCITCIB-VIFPVBQESA-N 1 0 315.732 1.798 20 5 DDBDRO [NH3+]Cc1ccc2c(c1)CCCN2C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000843340911 702862681 /nfs/dbraw/zinc/86/26/81/702862681.db2.gz VMHKNCUZLULISV-UHFFFAOYSA-N 1 0 300.318 1.975 20 5 DDBDRO [NH3+]C[C@H]1CCN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000843346331 702863739 /nfs/dbraw/zinc/86/37/39/702863739.db2.gz AMTNMZIABSPGAS-SECBINFHSA-N 1 0 312.757 1.467 20 5 DDBDRO CN(CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000843351573 702864726 /nfs/dbraw/zinc/86/47/26/702864726.db2.gz PVCJSEHIBLTMNQ-SNVBAGLBSA-N 1 0 312.757 1.480 20 5 DDBDRO CCCN(C(=O)c1cc([N+](=O)[O-])cnc1N)[C@H]1CC[N@H+](C)C1 ZINC000843990264 702950012 /nfs/dbraw/zinc/95/00/12/702950012.db2.gz SSRVTIFMSFBWKJ-JTQLQIEISA-N 1 0 307.354 1.128 20 5 DDBDRO O=[N+]([O-])c1ccc(CN2CC([N@@H+]3CC[C@@H](O)C3)C2)cc1Cl ZINC000846067751 703233526 /nfs/dbraw/zinc/23/35/26/703233526.db2.gz KGRSJEQVBVCPLK-GFCCVEGCSA-N 1 0 311.769 1.499 20 5 DDBDRO C[NH2+]C[C@@](C)(O)CN(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000846217219 703252198 /nfs/dbraw/zinc/25/21/98/703252198.db2.gz DMTZLBMTGIGCQR-CYBMUJFWSA-N 1 0 301.774 1.650 20 5 DDBDRO CCC(C)(C)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000848303518 703537480 /nfs/dbraw/zinc/53/74/80/703537480.db2.gz YEPSLRDASHQLJX-UHFFFAOYSA-N 1 0 321.381 1.518 20 5 DDBDRO CC(C)[N@@H+]1CCCC[C@@H]1COC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000848790412 703589689 /nfs/dbraw/zinc/58/96/89/703589689.db2.gz MOKNJOJQUUNCBP-LLVKDONJSA-N 1 0 322.365 1.992 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CCO[C@H]2CC2(F)F)cc1 ZINC000849326062 703635654 /nfs/dbraw/zinc/63/56/54/703635654.db2.gz BLVAWKPKDFKJSQ-RYUDHWBXSA-N 1 0 302.277 1.642 20 5 DDBDRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000869786222 703853501 /nfs/dbraw/zinc/85/35/01/703853501.db2.gz XIRMCQQNKNHSRH-VIFPVBQESA-N 1 0 313.379 1.231 20 5 DDBDRO CCO[C@@H](CNC(=O)c1ccc(CC)c([N+](=O)[O-])c1)C[NH+](C)C ZINC000831746478 706769440 /nfs/dbraw/zinc/76/94/40/706769440.db2.gz XXYZEMCJRVKCGB-AWEZNQCLSA-N 1 0 323.393 1.854 20 5 DDBDRO C[C@H](C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)Cn1cccn1 ZINC000818960798 704034998 /nfs/dbraw/zinc/03/49/98/704034998.db2.gz KVZPMSXPJSTHTQ-IUODEOHRSA-N 1 0 304.350 1.751 20 5 DDBDRO Cc1nccn1CCC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000818968383 704037301 /nfs/dbraw/zinc/03/73/01/704037301.db2.gz SEXAPIBDAFGLJA-HNNXBMFYSA-N 1 0 304.350 1.813 20 5 DDBDRO CC[S@](=O)CC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000819047609 704058242 /nfs/dbraw/zinc/05/82/42/704058242.db2.gz NEJWMBNCHPWBOS-NRFANRHFSA-N 1 0 313.379 1.282 20 5 DDBDRO CCc1cc(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])[nH]n1 ZINC000819052758 704060159 /nfs/dbraw/zinc/06/01/59/704060159.db2.gz DNTAQEDPNUUJAV-CYBMUJFWSA-N 1 0 320.349 1.410 20 5 DDBDRO C[C@@H]1C[C@@H]1N1C[C@@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000819123037 704072620 /nfs/dbraw/zinc/07/26/20/704072620.db2.gz SLFJPZLAWGPPRF-WCUVEOEZSA-N 1 0 319.361 1.227 20 5 DDBDRO CC[C@@H](C[NH+](C)C)OC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000870554623 704075390 /nfs/dbraw/zinc/07/53/90/704075390.db2.gz KKIZDHDIMFMKHT-JTQLQIEISA-N 1 0 324.333 1.863 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@H]2CCC=CO2)c1 ZINC000819246958 704094458 /nfs/dbraw/zinc/09/44/58/704094458.db2.gz UEMLDKRIPHYHKD-UKRRQHHQSA-N 1 0 308.334 1.617 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]Cc2cnc3n2CCCC3)cc1 ZINC000819298062 704102944 /nfs/dbraw/zinc/10/29/44/704102944.db2.gz BRGCQXFOBOVPMV-OAHLLOKOSA-N 1 0 316.361 1.951 20 5 DDBDRO CCC[C@H](C)C(=O)NCC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819328674 704108239 /nfs/dbraw/zinc/10/82/39/704108239.db2.gz CXGFLOAPXWZHDY-WFASDCNBSA-N 1 0 323.393 1.770 20 5 DDBDRO CCC[C@@H](C)C(=O)NCC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819330492 704108634 /nfs/dbraw/zinc/10/86/34/704108634.db2.gz SSJCRPZEVBZZPW-IUODEOHRSA-N 1 0 323.393 1.770 20 5 DDBDRO C[C@H]1COCCCN1Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853503352 704252218 /nfs/dbraw/zinc/25/22/18/704252218.db2.gz RAIZUZSUAAKGEX-LBPRGKRZSA-N 1 0 317.349 1.922 20 5 DDBDRO C[C@H](CCNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)[NH+](C)C ZINC000855412274 704483824 /nfs/dbraw/zinc/48/38/24/704483824.db2.gz VJLXCKXVHWCFDZ-LLVKDONJSA-N 1 0 319.365 1.401 20 5 DDBDRO CCN(C(=O)c1cc([N+](=O)[O-])cnc1N)[C@@H]1CC[N@H+](CC)C1 ZINC000855491167 704487505 /nfs/dbraw/zinc/48/75/05/704487505.db2.gz PFVCDGSTDZZMED-SNVBAGLBSA-N 1 0 307.354 1.128 20 5 DDBDRO CO[C@@H]1COCC[C@@H]1[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000880424638 706970012 /nfs/dbraw/zinc/97/00/12/706970012.db2.gz JQTHRXHCUKVXBF-LSDHHAIUSA-N 1 0 310.350 1.709 20 5 DDBDRO COc1cc(Cc2noc(C[C@H]3CC[NH2+]C3)n2)ccc1[N+](=O)[O-] ZINC000822861321 705062597 /nfs/dbraw/zinc/06/25/97/705062597.db2.gz CAIFGFZOWFDSNQ-LLVKDONJSA-N 1 0 318.333 1.729 20 5 DDBDRO COc1cc(-c2nc(N3CC[NH2+]CC3)no2)cc([N+](=O)[O-])c1C ZINC000823304476 705201420 /nfs/dbraw/zinc/20/14/20/705201420.db2.gz XYZKYTNUPICSJZ-UHFFFAOYSA-N 1 0 319.321 1.371 20 5 DDBDRO CC(C)[NH+](CCNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000823979219 705349061 /nfs/dbraw/zinc/34/90/61/705349061.db2.gz HSJUHOMYXPZSSL-HNNXBMFYSA-N 1 0 323.393 1.863 20 5 DDBDRO CO[C@@H]1C[N@H+](C)[C@](C)(COC(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000861345107 705436686 /nfs/dbraw/zinc/43/66/86/705436686.db2.gz YWBYYBNHHFWONT-HZMBPMFUSA-N 1 0 311.338 1.199 20 5 DDBDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825118402 705603886 /nfs/dbraw/zinc/60/38/86/705603886.db2.gz SMTZNJCTSZGBEJ-QLFBSQMISA-N 1 0 319.361 1.371 20 5 DDBDRO Cc1ccc(CNC(=O)C[N@@H+](C)[C@@H]2CCSC2)cc1[N+](=O)[O-] ZINC000825648659 705709089 /nfs/dbraw/zinc/70/90/89/705709089.db2.gz WZRFESVFCFFVAD-CYBMUJFWSA-N 1 0 323.418 1.957 20 5 DDBDRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825776606 705729894 /nfs/dbraw/zinc/72/98/94/705729894.db2.gz JUIRMXGUFHTWHE-ZFWWWQNUSA-N 1 0 319.361 1.229 20 5 DDBDRO C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000876565218 705760270 /nfs/dbraw/zinc/76/02/70/705760270.db2.gz ZLSXHEMWWQKCHD-IAWSGBMASA-N 1 0 318.377 1.535 20 5 DDBDRO O=C(NCCNc1ccc([N+](=O)[O-])cc1)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876564403 705760389 /nfs/dbraw/zinc/76/03/89/705760389.db2.gz SQBDWMGHFRJMIZ-ZWNOBZJWSA-N 1 0 310.329 1.071 20 5 DDBDRO COc1ccc(CNC(=O)[C@]23CCC[C@H]2[NH2+]CC3)cc1[N+](=O)[O-] ZINC000876612478 705783801 /nfs/dbraw/zinc/78/38/01/705783801.db2.gz NRTXZTQGEGVZJH-ZBFHGGJFSA-N 1 0 319.361 1.752 20 5 DDBDRO C[C@@H]1SCC[C@H]1NC(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000876944612 705933155 /nfs/dbraw/zinc/93/31/55/705933155.db2.gz RXDKIXMZYXSOGS-MRCXROJRSA-N 1 0 309.391 1.779 20 5 DDBDRO C[C@@H]([NH3+])CN(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000863567029 705959744 /nfs/dbraw/zinc/95/97/44/705959744.db2.gz AHQCIIVNCCLZCY-MRVPVSSYSA-N 1 0 300.746 1.466 20 5 DDBDRO O=C1CCCCN1CCC[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877022947 705962482 /nfs/dbraw/zinc/96/24/82/705962482.db2.gz XZFGFQKJUXELGV-UHFFFAOYSA-N 1 0 321.381 1.487 20 5 DDBDRO COc1c(C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)cccc1[N+](=O)[O-] ZINC000827264775 705963313 /nfs/dbraw/zinc/96/33/13/705963313.db2.gz DOTUQMFNNVMITF-AAEUAGOBSA-N 1 0 319.361 1.770 20 5 DDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]CCCOC[C@H]3CCOC3)C2)c1 ZINC000877059029 705974137 /nfs/dbraw/zinc/97/41/37/705974137.db2.gz JAUACMUCVMJFRN-IYXRBSQSSA-N 1 0 324.381 1.528 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H](CCO)C3CC3)CC2)cn1 ZINC000877058979 705974269 /nfs/dbraw/zinc/97/42/69/705974269.db2.gz ICOKSVVUPMJESO-OAHLLOKOSA-N 1 0 320.393 1.709 20 5 DDBDRO C[N@@H+]1CC[C@H]2CN(C(=O)C(C)(C)n3cc([N+](=O)[O-])cn3)CC[C@@H]21 ZINC000827328216 705976121 /nfs/dbraw/zinc/97/61/21/705976121.db2.gz DFQWIIHZFAYDNH-AAEUAGOBSA-N 1 0 321.381 1.079 20 5 DDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@H]3COC4(CCCC4)O3)C2)c1 ZINC000877133862 705993247 /nfs/dbraw/zinc/99/32/47/705993247.db2.gz JHJVHUYVYHDOPJ-YIZWMMSDSA-N 1 0 322.365 1.770 20 5 DDBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877278133 706045846 /nfs/dbraw/zinc/04/58/46/706045846.db2.gz LXEYHHJPBMUKHK-LSDHHAIUSA-N 1 0 303.362 1.880 20 5 DDBDRO O=C(COc1ccccc1[N+](=O)[O-])N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877286693 706048948 /nfs/dbraw/zinc/04/89/48/706048948.db2.gz GOLGRZPTFHSDID-NWDGAFQWSA-N 1 0 305.334 1.327 20 5 DDBDRO CNc1ccc(C(=O)N[C@]23CCC[C@@H]2[NH2+]CC3)cc1[N+](=O)[O-] ZINC000877398027 706095322 /nfs/dbraw/zinc/09/53/22/706095322.db2.gz LLQWQTAMFWKAII-ZFWWWQNUSA-N 1 0 304.350 1.651 20 5 DDBDRO CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877570449 706145600 /nfs/dbraw/zinc/14/56/00/706145600.db2.gz IIGOGXSHAUUYBU-QUINOFQRSA-N 1 0 322.365 1.816 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)[NH2+][C@H]2CCC23CCC3)cc1 ZINC000877830876 706226303 /nfs/dbraw/zinc/22/63/03/706226303.db2.gz MUJHYAYKDAIFNO-QLFBSQMISA-N 1 0 306.362 1.911 20 5 DDBDRO C[NH+](C)[C@@H](CNC(=O)Cc1cccc(F)c1[N+](=O)[O-])C1CC1 ZINC000864939631 706306740 /nfs/dbraw/zinc/30/67/40/706306740.db2.gz DXDQGOLNUMXHAQ-ZDUSSCGKSA-N 1 0 309.341 1.733 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@H](C2(C)OCCO2)C1 ZINC000878406888 706379694 /nfs/dbraw/zinc/37/96/94/706379694.db2.gz FWJCGXXYZJUEEL-ZDUSSCGKSA-N 1 0 324.381 1.575 20 5 DDBDRO C[C@@H]([NH2+]C[C@@H](O)COC[C@H]1CCCO1)c1ccccc1[N+](=O)[O-] ZINC000880095340 706877391 /nfs/dbraw/zinc/87/73/91/706877391.db2.gz XWIDHAGSALNVLJ-MGPQQGTHSA-N 1 0 324.377 1.802 20 5 DDBDRO CO[C@H]1COCC[C@H]1[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000880428826 706972630 /nfs/dbraw/zinc/97/26/30/706972630.db2.gz SLXGGNNUNXYSAF-CABCVRRESA-N 1 0 310.350 1.709 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872148925 707303144 /nfs/dbraw/zinc/30/31/44/707303144.db2.gz JJVPZOHURCZKOG-BLLLJJGKSA-N 1 0 318.377 1.383 20 5 DDBDRO Cn1nccc1[C@H](O)C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000927133462 712945792 /nfs/dbraw/zinc/94/57/92/712945792.db2.gz YWJXCQRRHRXNMR-SWLSCSKDSA-N 1 0 302.334 1.639 20 5 DDBDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000837187655 707593507 /nfs/dbraw/zinc/59/35/07/707593507.db2.gz AWXNEKKIGZBJAS-HUUCEWRRSA-N 1 0 321.377 1.569 20 5 DDBDRO CC[C@H]1COCCN1CCNc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000872772271 707593565 /nfs/dbraw/zinc/59/35/65/707593565.db2.gz SABRUXSAYONFRD-NSHDSACASA-N 1 0 320.353 1.160 20 5 DDBDRO CC[N@@H+]1CC[C@H]1CNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000882481048 707651466 /nfs/dbraw/zinc/65/14/66/707651466.db2.gz DGMKUKZYXRHYAG-LBPRGKRZSA-N 1 0 309.391 1.897 20 5 DDBDRO Cc1c(C[NH2+][C@@H]2CC[C@@H](C)S(=O)(=O)C2)cccc1[N+](=O)[O-] ZINC000873136614 707745433 /nfs/dbraw/zinc/74/54/33/707745433.db2.gz FLPLYUXXTAFIHI-ZWNOBZJWSA-N 1 0 312.391 1.959 20 5 DDBDRO Cc1ccc(C[NH2+][C@@H](C2CC2)[C@@H]2CNCCO2)cc1[N+](=O)[O-] ZINC000873251847 707786165 /nfs/dbraw/zinc/78/61/65/707786165.db2.gz LVJODEQCTFBPRN-HOTGVXAUSA-N 1 0 305.378 1.760 20 5 DDBDRO Cc1cc(C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)c(N)c([N+](=O)[O-])c1 ZINC000838145138 707854393 /nfs/dbraw/zinc/85/43/93/707854393.db2.gz VHZMXFXUDSXNGC-LBPRGKRZSA-N 1 0 320.393 1.947 20 5 DDBDRO CC[N@@H+]1CC[C@H]1CNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000883182711 707949905 /nfs/dbraw/zinc/94/99/05/707949905.db2.gz JEFHYEAXZUUXRY-AWEZNQCLSA-N 1 0 306.366 1.531 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)c1C ZINC000884042571 708115161 /nfs/dbraw/zinc/11/51/61/708115161.db2.gz CAJYGVPBBCBDIO-WCQYABFASA-N 1 0 307.350 1.400 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2C[NH2+]CCCO2)c1C ZINC000884302603 708233796 /nfs/dbraw/zinc/23/37/96/708233796.db2.gz UUZPHWNYAISYDZ-GFCCVEGCSA-N 1 0 307.350 1.320 20 5 DDBDRO Cc1cc(N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)ccc1[N+](=O)[O-] ZINC000897222102 708259558 /nfs/dbraw/zinc/25/95/58/708259558.db2.gz RPKBHMHOVNLVHC-CVEARBPZSA-N 1 0 305.378 1.939 20 5 DDBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+][C@@H]1CC13CC(O)C3)OCCO2 ZINC000897851828 708470032 /nfs/dbraw/zinc/47/00/32/708470032.db2.gz DXVOGPUEEPWQTQ-CIQACWJJSA-N 1 0 306.318 1.369 20 5 DDBDRO C[NH+](C)CCN(Cc1ccccn1)Cc1cccnc1[N+](=O)[O-] ZINC000886227247 708719543 /nfs/dbraw/zinc/71/95/43/708719543.db2.gz YULYWHOPUXDBJV-UHFFFAOYSA-N 1 0 315.377 1.949 20 5 DDBDRO CCN(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CC[NH2+]C1 ZINC000886854449 708864934 /nfs/dbraw/zinc/86/49/34/708864934.db2.gz OZJGACUGJVCDAK-CQSZACIVSA-N 1 0 306.366 1.241 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H](C)C[NH+](C)C ZINC000887984713 709186889 /nfs/dbraw/zinc/18/68/89/709186889.db2.gz OKKHFAZPVFJZPG-JTQLQIEISA-N 1 0 310.354 1.923 20 5 DDBDRO COCC[C@H]1C[NH2+]CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000900486361 709618603 /nfs/dbraw/zinc/61/86/03/709618603.db2.gz RRZPJCGWQYQQSU-ZDUSSCGKSA-N 1 0 308.338 1.437 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC000900812300 709773557 /nfs/dbraw/zinc/77/35/57/709773557.db2.gz UVXVWWDWHOUBEI-OCCSQVGLSA-N 1 0 320.393 1.267 20 5 DDBDRO COc1cc([N+](=O)[O-])cnc1NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000891674213 710263213 /nfs/dbraw/zinc/26/32/13/710263213.db2.gz FYWWGKNWMNLPQK-TXEJJXNPSA-N 1 0 324.381 1.910 20 5 DDBDRO CC(C)[C@H](CNc1c([N+](=O)[O-])cnn1C)[NH+]1CCN(C)CC1 ZINC000891681526 710265265 /nfs/dbraw/zinc/26/52/65/710265265.db2.gz VYXNXLMCRPVRRD-LBPRGKRZSA-N 1 0 310.402 1.012 20 5 DDBDRO CN(C(=O)NCc1cccc([N+](=O)[O-])c1)[C@H]1CCC[N@H+](C)C1 ZINC000892419060 710434337 /nfs/dbraw/zinc/43/43/37/710434337.db2.gz YNBSXOWWPRHVPY-AWEZNQCLSA-N 1 0 306.366 1.830 20 5 DDBDRO COc1cc([N+](=O)[O-])cnc1NCC1([NH+](C)C)CCOCC1 ZINC000892528097 710451830 /nfs/dbraw/zinc/45/18/30/710451830.db2.gz PDNZNZMYJWMPQR-UHFFFAOYSA-N 1 0 310.354 1.521 20 5 DDBDRO Cc1nn(C)c(C(=O)N2C[C@]3(C)C[N@H+](C)C[C@]3(C)C2)c1[N+](=O)[O-] ZINC000913288606 713192162 /nfs/dbraw/zinc/19/21/62/713192162.db2.gz FLADYISAEAXMBG-GASCZTMLSA-N 1 0 321.381 1.051 20 5 DDBDRO C[C@@H]1[C@H](NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC[N@@H+]1C ZINC000928439692 713196533 /nfs/dbraw/zinc/19/65/33/713196533.db2.gz JVQKRKDKVNHQOG-MWLCHTKSSA-N 1 0 302.334 1.899 20 5 DDBDRO Cn1ccnc1[C@H](N[C@H]1C[C@H](C[NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC000902484163 710767917 /nfs/dbraw/zinc/76/79/17/710767917.db2.gz FAQWGYNIZOPWSJ-UXIGCNINSA-N 1 0 315.377 1.745 20 5 DDBDRO COc1ccc(CC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000928451248 713202425 /nfs/dbraw/zinc/20/24/25/713202425.db2.gz VIRSIIPMANSJNQ-ZYHUDNBSSA-N 1 0 307.350 1.355 20 5 DDBDRO [NH3+]C[C@H]1CCCN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000911706681 710940513 /nfs/dbraw/zinc/94/05/13/710940513.db2.gz GWECGGUYQFQCKR-LLVKDONJSA-N 1 0 309.341 1.864 20 5 DDBDRO COc1cc([C@@H](C)[NH2+][C@@H](C)Cn2cncn2)cc([N+](=O)[O-])c1 ZINC000903083155 711026867 /nfs/dbraw/zinc/02/68/67/711026867.db2.gz AEVWOLKCTHSYRO-WDEREUQCSA-N 1 0 305.338 1.934 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCO[C@@]12CCOC2 ZINC000903090514 711028931 /nfs/dbraw/zinc/02/89/31/711028931.db2.gz CJDQPJMTQOCOFA-LSDHHAIUSA-N 1 0 308.334 1.641 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCO[C@@]12CCOC2 ZINC000903090513 711029215 /nfs/dbraw/zinc/02/92/15/711029215.db2.gz CJDQPJMTQOCOFA-HUUCEWRRSA-N 1 0 308.334 1.641 20 5 DDBDRO COc1cc([C@@H](C)[NH2+]C[C@@H](C)S(C)(=O)=O)cc([N+](=O)[O-])c1 ZINC000903127983 711041433 /nfs/dbraw/zinc/04/14/33/711041433.db2.gz PIPNDPCQDOUSNM-NXEZZACHSA-N 1 0 316.379 1.687 20 5 DDBDRO COc1cc([C@H](C)[NH2+]CC[C@H]2CNC(=O)C2)cc([N+](=O)[O-])c1 ZINC000903225995 711072240 /nfs/dbraw/zinc/07/22/40/711072240.db2.gz JFQANZLQYLSCJE-WDEREUQCSA-N 1 0 307.350 1.780 20 5 DDBDRO CN(C(=O)CN[C@@H]1CC[NH2+]C12CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000903468461 711136012 /nfs/dbraw/zinc/13/60/12/711136012.db2.gz LHZVUMWJLBLINN-CQSZACIVSA-N 1 0 318.377 1.432 20 5 DDBDRO CN(CC[N@H+](C)CCO)c1nc2ccccc2cc1[N+](=O)[O-] ZINC000894590541 711198371 /nfs/dbraw/zinc/19/83/71/711198371.db2.gz HLBFGQXRRBVJEW-UHFFFAOYSA-N 1 0 304.350 1.503 20 5 DDBDRO O=[N+]([O-])c1cccc2c1CCN(C[C@@H]1CCC3(C[NH2+]C3)O1)C2 ZINC000903882802 711315872 /nfs/dbraw/zinc/31/58/72/711315872.db2.gz PVKQNWOUUQFGHT-ZDUSSCGKSA-N 1 0 303.362 1.474 20 5 DDBDRO O=[N+]([O-])c1ccccc1Cc1noc([C@@H]2[C@@H]3CC[NH2+]C[C@@H]32)n1 ZINC000904079347 711376028 /nfs/dbraw/zinc/37/60/28/711376028.db2.gz COVWPPJBACPYMN-UHIISALHSA-N 1 0 300.318 1.892 20 5 DDBDRO CCC[N@@H+]1CC[C@@H](NCc2ccc(O)c(OC)c2[N+](=O)[O-])C1 ZINC000895438342 711512403 /nfs/dbraw/zinc/51/24/03/711512403.db2.gz PFGYUVDKWMOPPQ-GFCCVEGCSA-N 1 0 309.366 1.883 20 5 DDBDRO COc1c(O)ccc(C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)c1[N+](=O)[O-] ZINC000895633330 711565400 /nfs/dbraw/zinc/56/54/00/711565400.db2.gz BSOFHJWVBIYWJB-WCQYABFASA-N 1 0 308.334 1.966 20 5 DDBDRO C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)[NH2+]CC[N+](=O)[O-] ZINC000905088717 711932441 /nfs/dbraw/zinc/93/24/41/711932441.db2.gz KJTWAZHTTLPHOU-CYBMUJFWSA-N 1 0 320.393 1.870 20 5 DDBDRO Cc1cc(C[NH2+]CC[N+](=O)[O-])ccc1I ZINC000905242677 711978170 /nfs/dbraw/zinc/97/81/70/711978170.db2.gz DVZCIDNWXNRNFS-UHFFFAOYSA-N 1 0 320.130 1.966 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@H]2C[C@@H]3COC[C@@H]3O2)c1 ZINC000905570612 712081340 /nfs/dbraw/zinc/08/13/40/712081340.db2.gz DKFZHGLZGIONOK-RZFFKMDDSA-N 1 0 308.334 1.022 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@@H]2C=C[C@H]3C[C@@H]2CO3)cc1 ZINC000905572927 712082438 /nfs/dbraw/zinc/08/24/38/712082438.db2.gz ROSHWGVDDWIRTC-XRGAULLZSA-N 1 0 304.346 1.809 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@@H]2C[C@@H]3COC[C@@H]3O2)cc1 ZINC000905572994 712082508 /nfs/dbraw/zinc/08/25/08/712082508.db2.gz SVNNADQRZUGXCC-BEAPCOKYSA-N 1 0 308.334 1.022 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CC2CC3(C2)OCCO3)cc1 ZINC000905593806 712088994 /nfs/dbraw/zinc/08/89/94/712088994.db2.gz RTSNZKRJWQSEOA-AWEZNQCLSA-N 1 0 308.334 1.371 20 5 DDBDRO CCS(=O)(=O)CC[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000905644557 712105349 /nfs/dbraw/zinc/10/53/49/712105349.db2.gz RQUORDVNMBUYRA-LLVKDONJSA-N 1 0 300.380 1.723 20 5 DDBDRO CC1(C)C[C@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCS1 ZINC000905662449 712110535 /nfs/dbraw/zinc/11/05/35/712110535.db2.gz JNMHYRZBIMIJBJ-ZYHUDNBSSA-N 1 0 314.411 1.416 20 5 DDBDRO C[C@H](NC(=O)C1CN(C)CC[N@H+](C)C1)c1ccccc1[N+](=O)[O-] ZINC000907220867 712515707 /nfs/dbraw/zinc/51/57/07/712515707.db2.gz LOQINPUUOFGZEF-LBPRGKRZSA-N 1 0 320.393 1.265 20 5 DDBDRO C[NH+](C)CC1CCN(c2ccc([N+](=O)[O-])c3nonc32)CC1 ZINC000917081678 713481510 /nfs/dbraw/zinc/48/15/10/713481510.db2.gz DTBFAIWZOSNDEQ-UHFFFAOYSA-N 1 0 305.338 1.909 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC000929399844 713604022 /nfs/dbraw/zinc/60/40/22/713604022.db2.gz VVSCVUFZJXBRLW-LBPRGKRZSA-N 1 0 323.397 1.480 20 5 DDBDRO Cn1nc2c(c1C[NH2+]CCc1cccc([N+](=O)[O-])c1)COCC2 ZINC000921940334 713915566 /nfs/dbraw/zinc/91/55/66/713915566.db2.gz RANQJAXNFDRACU-UHFFFAOYSA-N 1 0 316.361 1.733 20 5 DDBDRO Cc1c(CNC(=O)N[C@H]2CC[N@H+](C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000922167842 713980981 /nfs/dbraw/zinc/98/09/81/713980981.db2.gz GYRKRBHXFFHQOL-YPMHNXCESA-N 1 0 306.366 1.795 20 5 DDBDRO COc1cc(C[NH2+][C@@H]2CCO[C@H]2C2CC2)c([N+](=O)[O-])cc1O ZINC000922516646 714076152 /nfs/dbraw/zinc/07/61/52/714076152.db2.gz TXZRUTCBVAXICO-ABAIWWIYSA-N 1 0 308.334 1.966 20 5 DDBDRO CC(C)(C)OC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2CC[N+](=O)[O-])C1 ZINC000931564209 714129060 /nfs/dbraw/zinc/12/90/60/714129060.db2.gz VINJQZMPGZQNOI-OLZOCXBDSA-N 1 0 313.398 1.985 20 5 DDBDRO O=[N+]([O-])c1ccc(N[C@@H]2CCN(CCC[NH2+]C3CC3)C2)nc1 ZINC000923325952 714314811 /nfs/dbraw/zinc/31/48/11/714314811.db2.gz HGGPRHPBYSQTEY-CYBMUJFWSA-N 1 0 305.382 1.618 20 5 DDBDRO CCC[C@H]1C[NH2+]CCN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000923330311 714317005 /nfs/dbraw/zinc/31/70/05/714317005.db2.gz BXFQPMJWRRXXIM-KBPBESRZSA-N 1 0 323.393 1.408 20 5 DDBDRO C[C@@H]1CN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H](C)C[NH2+]1 ZINC000923361536 714327399 /nfs/dbraw/zinc/32/73/99/714327399.db2.gz MCGBRDHTVHBLFL-DYEKYZERSA-N 1 0 309.366 1.017 20 5 DDBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000923462584 714364330 /nfs/dbraw/zinc/36/43/30/714364330.db2.gz HRUPHTCIGYOPTL-SLEUVZQESA-N 1 0 318.377 1.606 20 5 DDBDRO O=C1NCC2(CCOCC2)[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000933033021 714505259 /nfs/dbraw/zinc/50/52/59/714505259.db2.gz FOGWGTJBHXFSQN-CYBMUJFWSA-N 1 0 323.324 1.119 20 5 DDBDRO O=[N+]([O-])c1ccccc1CN1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000934252390 714774625 /nfs/dbraw/zinc/77/46/25/714774625.db2.gz MOODQSACGBAKRJ-JKSUJKDBSA-N 1 0 305.378 1.626 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1C ZINC000925309430 714803372 /nfs/dbraw/zinc/80/33/72/714803372.db2.gz ZYLBKTMLDMCLLC-GXSJLCMTSA-N 1 0 308.338 1.818 20 5 DDBDRO C[C@H]1[C@H](NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000925345679 714822614 /nfs/dbraw/zinc/82/26/14/714822614.db2.gz XRTKDYAZUDWVDN-SWLSCSKDSA-N 1 0 320.393 1.871 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C2(C3CCCCC3)CC2)c1 ZINC000934786757 714901773 /nfs/dbraw/zinc/90/17/73/714901773.db2.gz DGBVXXGMCBYLHS-AWEZNQCLSA-N 1 0 308.382 1.855 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000935431358 715053494 /nfs/dbraw/zinc/05/34/94/715053494.db2.gz ZTUHQBPIXHXYKB-GFCCVEGCSA-N 1 0 309.370 1.089 20 5 DDBDRO CC(C)C[NH+]1CCN(c2ncc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC001164652465 719331423 /nfs/dbraw/zinc/33/14/23/719331423.db2.gz MECPRENPZJKCIW-UHFFFAOYSA-N 1 0 309.326 1.676 20 5 DDBDRO Cc1cnc(N2CC[C@@H]3[C@H]2CCN3CC[NH+](C)C)c([N+](=O)[O-])c1 ZINC001164922022 721849591 /nfs/dbraw/zinc/84/95/91/721849591.db2.gz PQLPXMCEHCNYNH-ZIAGYGMSSA-N 1 0 319.409 1.513 20 5 DDBDRO O=C(N[C@@H]1[C@H]2C[N@H+](CC3CCCCC3)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025777631 736849699 /nfs/dbraw/zinc/84/96/99/736849699.db2.gz NVXQSIIFAQSUGX-QMIVOQANSA-N 1 0 307.394 1.278 20 5 DDBDRO Cn1ccc(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])c1 ZINC001125658950 735032250 /nfs/dbraw/zinc/03/22/50/735032250.db2.gz CKGKYNPGZATOTB-UHFFFAOYSA-N 1 0 302.334 1.453 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCCC[C@H]2[NH+](C)C)n1 ZINC001125817208 736216035 /nfs/dbraw/zinc/21/60/35/736216035.db2.gz HOUVTVIZGWRTDX-WDEREUQCSA-N 1 0 309.370 1.414 20 5 DDBDRO CCc1nc(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)co1 ZINC001126061797 738219879 /nfs/dbraw/zinc/21/98/79/738219879.db2.gz NKFYBIBRNJUTSF-UHFFFAOYSA-N 1 0 318.333 1.665 20 5 DDBDRO CC[N@H+](C)CCC(=O)N(C)CCNc1ccccc1[N+](=O)[O-] ZINC001101757120 741928291 /nfs/dbraw/zinc/92/82/91/741928291.db2.gz ZZCDQDZXYQJLHR-UHFFFAOYSA-N 1 0 308.382 1.807 20 5 DDBDRO CC(=O)Nc1ccc(NC(=[NH2+])N2CCN(C)CC2)cc1[N+](=O)[O-] ZINC001168740443 748723328 /nfs/dbraw/zinc/72/33/28/748723328.db2.gz JPJUSTWXAQJJJQ-UHFFFAOYSA-N 1 0 320.353 1.147 20 5 DDBDRO O=C(NCc1ccc(C[NH2+]CC2CC2)cc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001034816314 750916648 /nfs/dbraw/zinc/91/66/48/750916648.db2.gz MMDMRVPIGVKTQY-HUUCEWRRSA-N 1 0 303.362 1.468 20 5 DDBDRO CC(C)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC2 ZINC001035187210 751287507 /nfs/dbraw/zinc/28/75/07/751287507.db2.gz QHRCXCLAWWSQCO-ZIAGYGMSSA-N 1 0 309.410 1.622 20 5 DDBDRO COCCOc1ccc(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)cn1 ZINC001168984613 762152120 /nfs/dbraw/zinc/15/21/20/762152120.db2.gz PAQCKXFERDMNEX-TZMCWYRMSA-N 1 0 309.366 1.642 20 5 DDBDRO CS(=O)(=O)c1ccc(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)nc1 ZINC001168961701 762156277 /nfs/dbraw/zinc/15/62/77/762156277.db2.gz JQQRRPAQNWPVKJ-GHMZBOCLSA-N 1 0 313.379 1.020 20 5 DDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2ccnn2CC(F)(F)F)C1 ZINC001168998141 762169871 /nfs/dbraw/zinc/16/98/71/762169871.db2.gz ISDQLMWMVMFHGJ-VHSXEESVSA-N 1 0 306.288 1.980 20 5 DDBDRO Cc1cc(N2CC[C@@H]([NH2+][C@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)ncn1 ZINC001168997202 762170070 /nfs/dbraw/zinc/17/00/70/762170070.db2.gz YDKKOLVKTZIQDI-HZSPNIEDSA-N 1 0 305.382 1.399 20 5 DDBDRO CCC1([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CCS(=O)(=O)CC1 ZINC001168998643 762170955 /nfs/dbraw/zinc/17/09/55/762170955.db2.gz PGVRRUBMTDEQDE-NEPJUHHUSA-N 1 0 304.412 1.379 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C[C@]2(O)CCOc3ccccc32)C1 ZINC001168986829 762179682 /nfs/dbraw/zinc/17/96/82/762179682.db2.gz ZUJZGKKECMNNDA-XJKCOSOUSA-N 1 0 306.362 1.692 20 5 DDBDRO CS(=O)(=O)c1ccccc1C[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168986960 762179689 /nfs/dbraw/zinc/17/96/89/762179689.db2.gz GQVOZIIQFFGKSJ-AAEUAGOBSA-N 1 0 312.391 1.625 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CC(N3CCC(F)(F)CC3)C2)C1 ZINC001169038036 762192650 /nfs/dbraw/zinc/19/26/50/762192650.db2.gz VGKKMPAOXQLRHC-NEPJUHHUSA-N 1 0 303.353 1.847 20 5 DDBDRO COc1ccnc(O[C@@H]2CC[N@@H+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)C2)n1 ZINC001169057456 762211353 /nfs/dbraw/zinc/21/13/53/762211353.db2.gz VKUNMPJXBZNVAU-RWMBFGLXSA-N 1 0 322.365 1.384 20 5 DDBDRO Cc1c(F)cnc(NCc2ncn3c2C[NH2+]CCC3)c1[N+](=O)[O-] ZINC001169239864 762304481 /nfs/dbraw/zinc/30/44/81/762304481.db2.gz ASTVTGHPQSHMEB-UHFFFAOYSA-N 1 0 320.328 1.739 20 5 DDBDRO CCN(c1ncc([N+](=O)[O-])cc1C(=O)OC)[C@H]1CCC[NH2+]C1 ZINC001158200214 767852410 /nfs/dbraw/zinc/85/24/10/767852410.db2.gz LIXPHEWVXWPASJ-JTQLQIEISA-N 1 0 308.338 1.355 20 5 DDBDRO O=C(NC1(C2CC[NH+](CC3CCC3)CC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001000149395 761542646 /nfs/dbraw/zinc/54/26/46/761542646.db2.gz LJBFFJOIAIYDET-HUUCEWRRSA-N 1 0 321.421 1.813 20 5 DDBDRO O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1cc(F)c[nH]1 ZINC001131472174 768147520 /nfs/dbraw/zinc/14/75/20/768147520.db2.gz OAUORPRSWJMMGC-UHFFFAOYSA-N 1 0 312.326 1.643 20 5 DDBDRO C[C@H](Nc1ccc2cc([N+](=O)[O-])ccc2n1)[C@H]1C[NH2+]CCO1 ZINC001170565669 768164828 /nfs/dbraw/zinc/16/48/28/768164828.db2.gz WBEBBEDUXKQDTG-IINYFYTJSA-N 1 0 302.334 1.932 20 5 DDBDRO [NH3+]Cc1cnnn1C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1 ZINC001158420508 768204583 /nfs/dbraw/zinc/20/45/83/768204583.db2.gz RJBYXGUACZJBEI-UHFFFAOYSA-N 1 0 304.644 1.291 20 5 DDBDRO COc1ccc(C[C@@H](C)[NH2+][C@@H]2CCCNC(=O)C2)c([N+](=O)[O-])c1 ZINC001170325889 766252657 /nfs/dbraw/zinc/25/26/57/766252657.db2.gz BQPILESMVJKSPW-DGCLKSJQSA-N 1 0 321.377 1.793 20 5 DDBDRO COc1ccc(C[C@@H](C)[NH2+][C@@]2(CO)CCOC2)c([N+](=O)[O-])c1 ZINC001170326840 766252979 /nfs/dbraw/zinc/25/29/79/766252979.db2.gz OPKQIYFKWLATPI-IAQYHMDHSA-N 1 0 310.350 1.275 20 5 DDBDRO COc1ccc(C[C@H](C)[NH2+]C[C@@H]2CCC(=O)NC2)c([N+](=O)[O-])c1 ZINC001170308781 766259268 /nfs/dbraw/zinc/25/92/68/766259268.db2.gz ORTMJDRZQIWXGU-RYUDHWBXSA-N 1 0 321.377 1.650 20 5 DDBDRO CCOCC1(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001130413043 767507162 /nfs/dbraw/zinc/50/71/62/767507162.db2.gz NYQYHUGDAPWCRW-UHFFFAOYSA-N 1 0 321.377 1.617 20 5 DDBDRO CN(CC[NH3+])CCNc1nc(C2CC2)nc(Cl)c1[N+](=O)[O-] ZINC001170497031 767556003 /nfs/dbraw/zinc/55/60/03/767556003.db2.gz BRGGSZCEDOXHBJ-UHFFFAOYSA-N 1 0 314.777 1.218 20 5 DDBDRO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001048525211 769493048 /nfs/dbraw/zinc/49/30/48/769493048.db2.gz OZAXQKPFVKMCJZ-XLWJZTARSA-N 1 0 307.394 1.421 20 5 DDBDRO COc1c([N+](=O)[O-])cc(Cl)c(C)c1N[C@@H]1C[NH2+]C[C@@H]1CO ZINC001170781147 771243611 /nfs/dbraw/zinc/24/36/11/771243611.db2.gz JCLLBADHDXEQQR-PSASIEDQSA-N 1 0 315.757 1.557 20 5 DDBDRO C[NH+](C)CCCC(=O)N[C@H]1C[C@H](Nc2ccccc2[N+](=O)[O-])C1 ZINC001097091870 771620244 /nfs/dbraw/zinc/62/02/44/771620244.db2.gz ZPGMCFUVTQUZEL-JOCQHMNTSA-N 1 0 320.393 1.996 20 5 DDBDRO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1ccc([N+](=O)[O-])cc1OCC ZINC001170872115 771793152 /nfs/dbraw/zinc/79/31/52/771793152.db2.gz NLOMBYJLKCCRRV-DGCLKSJQSA-N 1 0 323.349 1.557 20 5 DDBDRO Cc1nc(N[C@H]2CC[NH2+]C[C@H]2C(F)(F)F)ncc1[N+](=O)[O-] ZINC001160745881 772704556 /nfs/dbraw/zinc/70/45/56/772704556.db2.gz ZVUFIVPBKWLESW-SFYZADRCSA-N 1 0 305.260 1.646 20 5 DDBDRO C[NH+](C)CCC(=O)NC[C@H]1C[C@@H](Nc2ncccc2[N+](=O)[O-])C1 ZINC001091397448 772720990 /nfs/dbraw/zinc/72/09/90/772720990.db2.gz BKZWPBINZZYPPS-TXEJJXNPSA-N 1 0 321.381 1.248 20 5 DDBDRO CCC[N@H+](C)CC(=O)NCCNc1cc(C)ccc1[N+](=O)[O-] ZINC001093787365 775078461 /nfs/dbraw/zinc/07/84/61/775078461.db2.gz AUGKUPLRRQKSIW-UHFFFAOYSA-N 1 0 308.382 1.773 20 5 DDBDRO C[NH+](C)C1(C(=O)NCCNc2ccc([N+](=O)[O-])cn2)CCC1 ZINC001093927235 775219449 /nfs/dbraw/zinc/21/94/49/775219449.db2.gz AVZQTZUOPUCTTC-UHFFFAOYSA-N 1 0 307.354 1.002 20 5 DDBDRO Cc1ccc(NCCNC(=O)C[N@@H+](C)C2CCC2)c([N+](=O)[O-])c1 ZINC001094221570 775544124 /nfs/dbraw/zinc/54/41/24/775544124.db2.gz HBUPGRSDDUECDG-UHFFFAOYSA-N 1 0 320.393 1.916 20 5 DDBDRO C[NH+](C)CCOCC(=O)NCCCNc1ccccc1[N+](=O)[O-] ZINC001094503580 775939152 /nfs/dbraw/zinc/93/91/52/775939152.db2.gz XWGGGYJGNXGVCM-UHFFFAOYSA-N 1 0 324.381 1.091 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@@H]([C@@H]2CCCO2)C2(CO)CCC2)n1 ZINC001171582480 776352997 /nfs/dbraw/zinc/35/29/97/776352997.db2.gz ISARQAMOKBQFLZ-JSGCOSHPSA-N 1 0 324.381 1.091 20 5 DDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCN1CC2(COC2)C1 ZINC001173220023 777052434 /nfs/dbraw/zinc/05/24/34/777052434.db2.gz RQXKCDXCTPTZAA-CYBMUJFWSA-N 1 0 305.378 1.448 20 5 DDBDRO CN(CC[NH2+]Cc1cc(F)cc(F)c1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001267371780 837934269 /nfs/dbraw/zinc/93/42/69/837934269.db2.gz UQXQOYKZUXXGDL-CHWSQXEVSA-N 1 0 313.304 1.178 20 5 DDBDRO C[NH2+][C@@H](C)CCNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC001326216723 861201406 /nfs/dbraw/zinc/20/14/06/861201406.db2.gz VJHDDLSGZCTMMX-QMMMGPOBSA-N 1 0 321.786 1.525 20 5 DDBDRO C[C@@H](C[N+](C)(C)C)Oc1ccn2ncc(Br)c2n1 ZINC001226353204 842952978 /nfs/dbraw/zinc/95/29/78/842952978.db2.gz XLYLVYZLPCXGPY-VIFPVBQESA-N 1 0 314.207 1.965 20 5 DDBDRO O=[N+]([O-])c1cnc(NC[C@H]2CCC(F)(F)C2)nc1C1C[NH2+]C1 ZINC001155176248 861799119 /nfs/dbraw/zinc/79/91/19/861799119.db2.gz WBDQWSPYBIBSRL-QMMMGPOBSA-N 1 0 313.308 1.919 20 5 DDBDRO Cc1noc([C@]23COC[C@H]2C[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C3)n1 ZINC001169019995 850518202 /nfs/dbraw/zinc/51/82/02/850518202.db2.gz HMMQDZCPHPEFHA-KYEXWDHISA-N 1 0 322.365 1.023 20 5 DDBDRO COc1nc(SC)nc(-n2c(C)cnc2C[NH3+])c1[N+](=O)[O-] ZINC001169020887 850518786 /nfs/dbraw/zinc/51/87/86/850518786.db2.gz SOTNYSZQTGOFMP-UHFFFAOYSA-N 1 0 310.339 1.068 20 5 DDBDRO CCN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cnon1 ZINC001273668758 851206944 /nfs/dbraw/zinc/20/69/44/851206944.db2.gz YSEDSLJTIGRFRJ-UHFFFAOYSA-N 1 0 319.321 1.230 20 5 DDBDRO O=C1C[C@H]2[NH2+]CC[C@@]2(Nc2nccc3cc([N+](=O)[O-])ccc32)N1 ZINC001155580675 862251503 /nfs/dbraw/zinc/25/15/03/862251503.db2.gz NUWQSFRZKKBBGO-DOMZBBRYSA-N 1 0 313.317 1.133 20 5 DDBDRO O=[N+]([O-])c1cc(N[C@H]2CCO[C@]3(CC[NH2+]C3)C2)nc2[nH]ccc21 ZINC001155624665 862310208 /nfs/dbraw/zinc/31/02/08/862310208.db2.gz XFDDDUAFBWUUTJ-ZUZCIYMTSA-N 1 0 317.349 1.794 20 5 DDBDRO O=[N+]([O-])c1cc(F)cnc1N[C@H]1CCCC[C@@]12C[NH2+]CCO2 ZINC001155824102 862478639 /nfs/dbraw/zinc/47/86/39/862478639.db2.gz JYWOAEKTWCTDND-GXTWGEPZSA-N 1 0 310.329 1.842 20 5 DDBDRO Cc1c(C)c(N(c2ncccn2)C2C[NH2+]C2)ncc1[N+](=O)[O-] ZINC001155871726 862524687 /nfs/dbraw/zinc/52/46/87/862524687.db2.gz NHMDHWVQKFOZNB-UHFFFAOYSA-N 1 0 300.322 1.507 20 5 DDBDRO COC(=O)c1cc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2C)cc([N+](=O)[O-])c1 ZINC001155892646 862535934 /nfs/dbraw/zinc/53/59/34/862535934.db2.gz KSKAISRNXXEDDA-NOZJJQNGSA-N 1 0 321.333 1.204 20 5 DDBDRO O=C(Cc1ccon1)NCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001156001324 862621353 /nfs/dbraw/zinc/62/13/53/862621353.db2.gz NMYZVURQGWNCMH-UHFFFAOYSA-N 1 0 324.362 1.483 20 5 DDBDRO C[NH2+]C[C@H](O)[C@@H](C)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001122038569 858669847 /nfs/dbraw/zinc/66/98/47/858669847.db2.gz MIKIXSKKTGZWIF-ABAIWWIYSA-N 1 0 321.377 1.302 20 5 DDBDRO COc1cc(C(=O)N2C[C@@H]([NH3+])C(C)(C)C2)cc([N+](=O)[O-])c1C ZINC001122163037 858699788 /nfs/dbraw/zinc/69/97/88/858699788.db2.gz NYSWCHVNJYSHEL-CYBMUJFWSA-N 1 0 307.350 1.721 20 5 DDBDRO C[C@@H]1C[NH2+]C[C@H]1CNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC001122227040 858718862 /nfs/dbraw/zinc/71/88/62/858718862.db2.gz OVXLBYPWQYUGGL-NEPJUHHUSA-N 1 0 307.350 1.335 20 5 DDBDRO CNc1ccc(C(=O)NC[C@@H]2CCCCC[NH2+]2)cc1[N+](=O)[O-] ZINC001122391052 858791651 /nfs/dbraw/zinc/79/16/51/858791651.db2.gz HCLBXJGSMABBEE-LBPRGKRZSA-N 1 0 306.366 1.899 20 5 DDBDRO O=C(NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccncc1 ZINC001122590260 858901512 /nfs/dbraw/zinc/90/15/12/858901512.db2.gz KRTLGUPTKQDVIL-UHFFFAOYSA-N 1 0 300.318 1.509 20 5 DDBDRO CCc1cc(C(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)[nH]n1 ZINC001123856447 859441765 /nfs/dbraw/zinc/44/17/65/859441765.db2.gz AMWJESYFRCPAMJ-UHFFFAOYSA-N 1 0 323.378 1.461 20 5 DDBDRO [NH3+]Cc1nn(-c2ncc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccccc12 ZINC001156855899 863400116 /nfs/dbraw/zinc/40/01/16/863400116.db2.gz RNTCSXXNOVSGGQ-UHFFFAOYSA-N 1 0 314.261 1.696 20 5 DDBDRO C[N@@H+]1CCC[C@H]2CN(c3cc([N+](=O)[O-])cc(Cl)[n+]3[O-])C[C@@H]21 ZINC001157271048 863700676 /nfs/dbraw/zinc/70/06/76/863700676.db2.gz HGXSPGPUIWXBTK-ONGXEEELSA-N 1 0 312.757 1.412 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@](O)(C3CC3)C2)c1 ZINC001329584583 863738845 /nfs/dbraw/zinc/73/88/45/863738845.db2.gz VKKATKDRCDDAAW-MRXNPFEDSA-N 1 0 320.345 1.728 20 5 DDBDRO COc1cc2ncnc(N3CCC[C@H]([NH3+])[C@H]3C)c2cc1[N+](=O)[O-] ZINC001157739625 864089161 /nfs/dbraw/zinc/08/91/61/864089161.db2.gz DFHGMROEKMKXQR-KOLCDFICSA-N 1 0 317.349 1.863 20 5 DDBDRO O=C(NCCC[NH2+]Cc1ccc(Cl)cc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157766939 864115120 /nfs/dbraw/zinc/11/51/20/864115120.db2.gz CEWARSZLYHEFBX-CHWSQXEVSA-N 1 0 311.769 1.601 20 5 DDBDRO COc1ccc(C)cc1C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157775571 864131135 /nfs/dbraw/zinc/13/11/35/864131135.db2.gz QXRXFQQDZRJMRT-ZIAGYGMSSA-N 1 0 321.377 1.265 20 5 DDBDRO C[NH2+]CCN(c1ncc([N+](=O)[O-])cc1C(=O)OC)C(C)(C)C ZINC001157825480 864173369 /nfs/dbraw/zinc/17/33/69/864173369.db2.gz KFWHHFISBJFONT-UHFFFAOYSA-N 1 0 310.354 1.601 20 5 DDBDRO [NH3+]Cc1cnnn1-c1cc2ccc(Cl)nc2cc1[N+](=O)[O-] ZINC001158426836 864647476 /nfs/dbraw/zinc/64/74/76/864647476.db2.gz HFHRIWAQUWXBGP-UHFFFAOYSA-N 1 0 304.697 1.836 20 5 DDBDRO C[C@@H](Nc1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1)c1cnccn1 ZINC001158608848 864755189 /nfs/dbraw/zinc/75/51/89/864755189.db2.gz CZKHBPPWGKIFAD-MRVPVSSYSA-N 1 0 301.310 1.035 20 5 DDBDRO [NH3+]Cc1ccc2nnn(-c3ncnc4ccc([N+](=O)[O-])cc43)c2c1 ZINC001159026308 865052314 /nfs/dbraw/zinc/05/23/14/865052314.db2.gz HFLMWQZEERSVAU-UHFFFAOYSA-N 1 0 321.300 1.731 20 5 DDBDRO O=[N+]([O-])c1cc2c(Cl)ncnc2cc1N[C@@H]1C[NH2+]C[C@H]1CO ZINC001159672322 865460034 /nfs/dbraw/zinc/46/00/34/865460034.db2.gz OKMDSOBNDAGXLL-WRWORJQWSA-N 1 0 323.740 1.184 20 5 DDBDRO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1cc(Cl)ncc1[N+](=O)[O-] ZINC001159751116 865501974 /nfs/dbraw/zinc/50/19/74/865501974.db2.gz WWVWBRSUHNJABR-VXNVDRBHSA-N 1 0 314.729 1.206 20 5 DDBDRO C[NH2+]C[C@H]1CCCCN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC001332032412 865519976 /nfs/dbraw/zinc/51/99/76/865519976.db2.gz KKLWZPVWJPRBHP-CYBMUJFWSA-N 1 0 307.350 1.574 20 5 DDBDRO O=C(NCCC1=CC[N@H+](C/C=C\Cl)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001160090789 865675761 /nfs/dbraw/zinc/67/57/61/865675761.db2.gz PMWAANBWUGSHNT-KXPPAHKPSA-N 1 0 313.785 1.543 20 5 DDBDRO [NH3+]Cc1cc(-c2ccncc2)nn1-c1ncc([N+](=O)[O-])cc1F ZINC001160337657 865789733 /nfs/dbraw/zinc/78/97/33/865789733.db2.gz JGLXJRVMTLBHKX-UHFFFAOYSA-N 1 0 314.280 1.835 20 5 DDBDRO CCOC(=O)c1nc(Cl)nc(NC/C=C/C[NH3+])c1[N+](=O)[O-] ZINC001160976721 866241870 /nfs/dbraw/zinc/24/18/70/866241870.db2.gz CEJAYZYYPQCSLR-ONEGZZNKSA-N 1 0 315.717 1.142 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N(CC[NH3+])CC(F)(F)F ZINC001333199720 866512943 /nfs/dbraw/zinc/51/29/43/866512943.db2.gz ZKJZFSBIQMFPPH-UHFFFAOYSA-N 1 0 305.256 1.866 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@H]1CCCC[C@@H]1[NH+](C)C ZINC001333790972 867013732 /nfs/dbraw/zinc/01/37/32/867013732.db2.gz NJKWKGQVQYPTEJ-RYUDHWBXSA-N 1 0 309.370 1.089 20 5 DDBDRO CCc1n[nH]c(C(=O)N[C@@H]2CCCC[C@H]2[NH+](C)C)c1[N+](=O)[O-] ZINC001320805512 867043587 /nfs/dbraw/zinc/04/35/87/867043587.db2.gz WYRVGQBUIPPBPB-GHMZBOCLSA-N 1 0 309.370 1.483 20 5 DDBDRO CC1(C)C[NH2+]C[C@H](CNc2cnc3ccc([N+](=O)[O-])cc3n2)O1 ZINC001161951000 867133893 /nfs/dbraw/zinc/13/38/93/867133893.db2.gz STXABCKLTYVWPN-LLVKDONJSA-N 1 0 317.349 1.717 20 5 DDBDRO COCCC1([NH3+])CCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC001162041776 867212139 /nfs/dbraw/zinc/21/21/39/867212139.db2.gz PHDOEOFBZQRREM-UHFFFAOYSA-N 1 0 314.773 1.977 20 5 DDBDRO [NH3+]Cc1nc2cnccc2n1-c1cnc2cc([N+](=O)[O-])ccc2n1 ZINC001162215221 867345200 /nfs/dbraw/zinc/34/52/00/867345200.db2.gz PVNNZPUQHINULY-UHFFFAOYSA-N 1 0 321.300 1.731 20 5 DDBDRO Cc1cncc([N+](=O)[O-])c1NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC001321169934 867372141 /nfs/dbraw/zinc/37/21/41/867372141.db2.gz LRWNAVKLDVUEPG-CYBMUJFWSA-N 1 0 308.382 1.489 20 5 DDBDRO C[C@H]1C[NH2+]CCC[C@@H]1CNc1ncnc2[nH]cc([N+](=O)[O-])c21 ZINC001162462641 867552087 /nfs/dbraw/zinc/55/20/87/867552087.db2.gz WOFJJHZOXHEMSZ-VHSXEESVSA-N 1 0 304.354 1.865 20 5 DDBDRO Cn1cc([N+](=O)[O-])c(N2CCC(OCCC[NH+](C)C)CC2)n1 ZINC001162701035 867749435 /nfs/dbraw/zinc/74/94/35/867749435.db2.gz PTVOYUBZJQUDQZ-UHFFFAOYSA-N 1 0 311.386 1.265 20 5 DDBDRO [NH3+][C@H]1COC[C@H]1Nc1ccc(-c2cccc([N+](=O)[O-])c2)nn1 ZINC001162919959 867918848 /nfs/dbraw/zinc/91/88/48/867918848.db2.gz MELCFUKNEMAMEJ-WCQYABFASA-N 1 0 301.306 1.190 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCCc1nnnn1C ZINC001335132018 868086048 /nfs/dbraw/zinc/08/60/48/868086048.db2.gz IRQLWXWNLNXJRF-UHFFFAOYSA-N 1 0 304.354 1.458 20 5 DDBDRO CCOC(=O)c1cccc([N+](=O)[O-])c1N[C@@H]1C[NH2+][C@@H]2COC[C@H]12 ZINC001163145680 868155443 /nfs/dbraw/zinc/15/54/43/868155443.db2.gz AZFPLENKPXJWCO-IJLUTSLNSA-N 1 0 321.333 1.170 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@@H](O)c2ccncc2)c1 ZINC001335317962 868221893 /nfs/dbraw/zinc/22/18/93/868221893.db2.gz RNSUASNMEPEDKQ-HUUCEWRRSA-N 1 0 303.318 1.346 20 5 DDBDRO COc1ncc([N+](=O)[O-])cc1NC[C@@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001163278092 868302695 /nfs/dbraw/zinc/30/26/95/868302695.db2.gz GWCCPQZQYLNLOW-ABAIWWIYSA-N 1 0 322.365 1.569 20 5 DDBDRO COc1ccc(N[C@@H]2CCO[C@]3(CC[NH2+]C3)C2)nc1[N+](=O)[O-] ZINC001163305028 868329576 /nfs/dbraw/zinc/32/95/76/868329576.db2.gz KTKKJZPDAJBUNJ-QMTHXVAHSA-N 1 0 308.338 1.321 20 5 DDBDRO C[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCCC1 ZINC001335501937 868344315 /nfs/dbraw/zinc/34/43/15/868344315.db2.gz VLZSFJUJEVLYGU-FZMZJTMJSA-N 1 0 307.350 1.229 20 5 DDBDRO O=[N+]([O-])c1cc(F)cc2ccc(N[C@H]3C[NH2+][C@@H]4CCO[C@@H]43)nc21 ZINC001163337843 868368874 /nfs/dbraw/zinc/36/88/74/868368874.db2.gz ZSBODLWPTNUCSU-ZETOZRRWSA-N 1 0 318.308 1.823 20 5 DDBDRO C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC001335969534 868652026 /nfs/dbraw/zinc/65/20/26/868652026.db2.gz WQZPBZNUVZKTDX-DGCLKSJQSA-N 1 0 306.366 1.640 20 5 DDBDRO O=C(Cc1cnoc1)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001164459001 869206651 /nfs/dbraw/zinc/20/66/51/869206651.db2.gz FICYMCSRAWEHRX-UHFFFAOYSA-N 1 0 318.333 1.421 20 5 DDBDRO COC(=O)c1cnc(N2CCC[C@H]2C[NH+](C)C)c([N+](=O)[O-])c1 ZINC001165074202 869364006 /nfs/dbraw/zinc/36/40/06/869364006.db2.gz YXEAWWIQRRVEML-NSHDSACASA-N 1 0 308.338 1.307 20 5 DDBDRO COCCC[NH+]1CCN(c2cc([N+](=O)[O-])c3cc[nH]c3n2)CC1 ZINC001165097882 869375203 /nfs/dbraw/zinc/37/52/03/869375203.db2.gz WDKXWNWVKPAKMV-UHFFFAOYSA-N 1 0 319.365 1.630 20 5 DDBDRO CO[C@@H]1CN(C(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)C[C@H]1[NH3+] ZINC001165204752 869428099 /nfs/dbraw/zinc/42/80/99/869428099.db2.gz UKXJYFFENIBPBK-VXNVDRBHSA-N 1 0 322.699 1.350 20 5 DDBDRO Cc1nc(N2C[C@H]3c4ccccc4C[NH2+][C@@H]3C2)ncc1[N+](=O)[O-] ZINC001165351317 869537382 /nfs/dbraw/zinc/53/73/82/869537382.db2.gz RZVOGCIHWUMZPN-UONOGXRCSA-N 1 0 311.345 1.769 20 5 DDBDRO O=[N+]([O-])c1ccccc1-c1ccc(N2CCC[C@H]3[NH2+]C[C@@H]32)nn1 ZINC001165392357 869563645 /nfs/dbraw/zinc/56/36/45/869563645.db2.gz BVKHXINEINTBOU-HIFRSBDPSA-N 1 0 311.345 1.992 20 5 DDBDRO COC(=O)c1c(C)c([N+](=O)[O-])ccc1-n1ccnc1CC[NH3+] ZINC001166383913 869976861 /nfs/dbraw/zinc/97/68/61/869976861.db2.gz SIUXRJLCUMNCQG-UHFFFAOYSA-N 1 0 304.306 1.377 20 5 DDBDRO COC(=O)c1cc(OC)c(O[C@@H](C)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC001226362418 882387127 /nfs/dbraw/zinc/38/71/27/882387127.db2.gz RZUWBSNCXQNGJT-VIFPVBQESA-N 1 0 312.322 1.719 20 5 DDBDRO C[C@@H]1C[NH2+]C[C@H]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001339933902 870792527 /nfs/dbraw/zinc/79/25/27/870792527.db2.gz GXDQNFAOYMENNK-DGCLKSJQSA-N 1 0 303.362 1.725 20 5 DDBDRO C[C@H]([NH3+])CONC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC001340455708 871123056 /nfs/dbraw/zinc/12/30/56/871123056.db2.gz DYDLIBGLIZUMBQ-LURJTMIESA-N 1 0 318.127 1.366 20 5 DDBDRO CSCC[C@@H]([NH3+])C(=O)NC[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001341428331 871656241 /nfs/dbraw/zinc/65/62/41/871656241.db2.gz INHYQIYMLYYXDW-ZYHUDNBSSA-N 1 0 311.407 1.895 20 5 DDBDRO [NH3+][C@H]1COCC[C@H]1c1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001205806555 871827382 /nfs/dbraw/zinc/82/73/82/871827382.db2.gz MWUMNKCBUXKGQX-SFYZADRCSA-N 1 0 309.257 1.010 20 5 DDBDRO O=C(c1cccc(Cl)c1[N+](=O)[O-])N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001341906938 871890462 /nfs/dbraw/zinc/89/04/62/871890462.db2.gz OYUINNITFFHLMZ-VHSXEESVSA-N 1 0 309.753 1.930 20 5 DDBDRO CO[C@@H]1C[NH2+][C@@](C)(C(=O)NC[C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC001342071794 871986189 /nfs/dbraw/zinc/98/61/89/871986189.db2.gz CZMUCNDRBDJYRH-BFQNTYOBSA-N 1 0 321.377 1.582 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cc([N+](=O)[O-])ccc1Cl ZINC001226811395 882667282 /nfs/dbraw/zinc/66/72/82/882667282.db2.gz YGVMMSJQPTYQPL-SNVBAGLBSA-N 1 0 317.749 1.611 20 5 DDBDRO C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC001344652737 873067171 /nfs/dbraw/zinc/06/71/71/873067171.db2.gz QFWYIWNYYIDOHN-VXGBXAGGSA-N 1 0 306.366 1.369 20 5 DDBDRO Cc1ccc2[nH]c(=O)cc(OC(=O)C[C@@H](O)C[N+](C)(C)C)c2c1 ZINC001226851826 882688920 /nfs/dbraw/zinc/68/89/20/882688920.db2.gz IZEXXIGIMPSOTG-GFCCVEGCSA-O 1 0 319.381 1.611 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[NH2+]CC1 ZINC001346440482 873754287 /nfs/dbraw/zinc/75/42/87/873754287.db2.gz GEEZGHKQNYAOAH-LLVKDONJSA-N 1 0 307.350 1.723 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[C@H]3C[N@H+](C)C[C@H]32)c1 ZINC001349696121 875310544 /nfs/dbraw/zinc/31/05/44/875310544.db2.gz ZFCMKJFTIVKZTG-ZLKJLUDKSA-N 1 0 319.361 1.673 20 5 DDBDRO CN1CC[C@H](Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001227498052 883044370 /nfs/dbraw/zinc/04/43/70/883044370.db2.gz KPKOBEHVNDUHIT-QMMMGPOBSA-N 1 0 312.238 1.494 20 5 DDBDRO [NH3+]CCCN(CC(F)(F)F)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC001353089928 877112095 /nfs/dbraw/zinc/11/20/95/877112095.db2.gz QPUIJEARTAJIGV-UHFFFAOYSA-N 1 0 305.256 1.948 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2C[NH2+]CCC2(F)F)c1 ZINC001353174754 877161693 /nfs/dbraw/zinc/16/16/93/877161693.db2.gz KIEKXXOIVOWZJO-SNVBAGLBSA-N 1 0 313.304 1.878 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCCc2ccsc2)c1 ZINC001353288434 877231183 /nfs/dbraw/zinc/23/11/83/877231183.db2.gz ZBEZDAWGVHHHNO-CYBMUJFWSA-N 1 0 310.379 1.436 20 5 DDBDRO COC[C@@H]1C[NH2+]CCN1C(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001353467777 877353910 /nfs/dbraw/zinc/35/39/10/877353910.db2.gz PWRKZWJGZMVKRD-RISCZKNCSA-N 1 0 322.365 1.286 20 5 DDBDRO C[C@@H](NC(=O)COC1CC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1 ZINC001354830455 878254278 /nfs/dbraw/zinc/25/42/78/878254278.db2.gz RXXLZYQIYLVWQT-LLVKDONJSA-N 1 0 307.350 1.541 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC(OC3C[NH2+]C3)CC2)c1 ZINC001355915673 878775246 /nfs/dbraw/zinc/77/52/46/878775246.db2.gz DOWZUUYSJYOIQW-UHFFFAOYSA-N 1 0 319.361 1.496 20 5 DDBDRO CC[N@@H+]1C[C@@H](C)N(c2nnc(C[N+](=O)[O-])n2CC(C)C)C[C@H]1C ZINC001358057077 880309969 /nfs/dbraw/zinc/30/99/69/880309969.db2.gz HAQALPNFXSKUHY-CHWSQXEVSA-N 1 0 324.429 1.630 20 5 DDBDRO CNc1ccc(C(=O)NCC[C@@H]2C[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC001358083451 880320089 /nfs/dbraw/zinc/32/00/89/880320089.db2.gz MUPZGEFXKZOHLU-ZYHUDNBSSA-N 1 0 306.366 1.612 20 5 DDBDRO C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@H]2Oc1ncc([N+](=O)[O-])c2nc[nH]c21 ZINC001227694216 883135905 /nfs/dbraw/zinc/13/59/05/883135905.db2.gz FGJIUFWFUTYLPH-MSRIBSCDSA-N 1 0 317.349 1.975 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cc(Cl)ncc1Cl ZINC001228545538 883545142 /nfs/dbraw/zinc/54/51/42/883545142.db2.gz ISLQQLDGHUJLSZ-MRVPVSSYSA-N 1 0 308.185 1.751 20 5 DDBDRO CC[N@@H+]1CC[C@H](Oc2n[nH]c(=O)c3ccc([N+](=O)[O-])cc32)C1 ZINC001229365921 883947524 /nfs/dbraw/zinc/94/75/24/883947524.db2.gz YMVNPXQZWFWCEK-JTQLQIEISA-N 1 0 304.306 1.717 20 5 DDBDRO Cc1c(OC(=O)C[C@@H](O)C[N+](C)(C)C)cnc2ccccc12 ZINC001233725001 887255046 /nfs/dbraw/zinc/25/50/46/887255046.db2.gz KHULYLUZRMRCPR-CYBMUJFWSA-N 1 0 303.382 1.906 20 5 DDBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc(C[C@H]2CCC[NH2+]C2)n1 ZINC001248218459 893572985 /nfs/dbraw/zinc/57/29/85/893572985.db2.gz UCPUTNXSNKYMCT-MRVPVSSYSA-N 1 0 307.285 1.721 20 5 DDBDRO C[C@@H](NC(=O)NC[C@@](C)(O)C[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC001248636578 893662003 /nfs/dbraw/zinc/66/20/03/893662003.db2.gz YXEJHAFIPDPYGS-IAQYHMDHSA-N 1 0 324.381 1.268 20 5 DDBDRO O=C1CC[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CN1 ZINC001254466218 896452994 /nfs/dbraw/zinc/45/29/94/896452994.db2.gz YXJFNVAOOHRQOJ-ZDUSSCGKSA-N 1 0 318.377 1.432 20 5 DDBDRO CCC[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C(N)=O ZINC001254468227 896453835 /nfs/dbraw/zinc/45/38/35/896453835.db2.gz HKADSZDDTXYQTA-HNNXBMFYSA-N 1 0 320.393 1.807 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCN2C(=O)COC[C@H]2C1 ZINC001254564402 896502855 /nfs/dbraw/zinc/50/28/55/896502855.db2.gz LNDLKGKDQROGFX-TZMCWYRMSA-N 1 0 319.361 1.069 20 5 DDBDRO O=C(C[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)NCC(F)(F)F ZINC001254589052 896517271 /nfs/dbraw/zinc/51/72/71/896517271.db2.gz MBTTXEXIRMLNMG-SNVBAGLBSA-N 1 0 317.267 1.330 20 5 DDBDRO NC(=O)c1cncc(C[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001254588347 896518190 /nfs/dbraw/zinc/51/81/90/896518190.db2.gz DOOAJKVYEYDQIV-AWEZNQCLSA-N 1 0 312.329 1.346 20 5 DDBDRO O=C1COC2(C1)CC[NH+]([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)CC2 ZINC001254592932 896520688 /nfs/dbraw/zinc/52/06/88/896520688.db2.gz HFSAJQNXQOOLDQ-HNNXBMFYSA-N 1 0 316.357 1.886 20 5 DDBDRO C[NH+](C)C[C@H]1COCCN1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254606861 896528010 /nfs/dbraw/zinc/52/80/10/896528010.db2.gz ISMVAIXCLXSZEI-CVEARBPZSA-N 1 0 305.378 1.324 20 5 DDBDRO O=C1NC2(CO1)CC[NH+]([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)CC2 ZINC001254608886 896531012 /nfs/dbraw/zinc/53/10/12/896531012.db2.gz STEMZDPRKUJUHP-CQSZACIVSA-N 1 0 317.345 1.636 20 5 DDBDRO COC(=O)C[C@H]1CC[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254612382 896533457 /nfs/dbraw/zinc/53/34/57/896533457.db2.gz VUYOGICDLSYQKN-IAQYHMDHSA-N 1 0 304.346 1.947 20 5 DDBDRO CS(=O)(=O)c1ccc(C[NH2+]CCc2ccccc2[N+](=O)[O-])o1 ZINC001261366691 899516593 /nfs/dbraw/zinc/51/65/93/899516593.db2.gz CMDXPHHZAXNACQ-UHFFFAOYSA-N 1 0 324.358 1.924 20 5 DDBDRO Cc1ccc(CNC(=O)N[C@H]2C[NH2+]CC2(C)C)cc1[N+](=O)[O-] ZINC001262598549 900268440 /nfs/dbraw/zinc/26/84/40/900268440.db2.gz WHXOLXRCZRHKIG-ZDUSSCGKSA-N 1 0 306.366 1.700 20 5 DDBDRO C[N@@H+]1CCCC[C@H]1CNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC001262652334 900286166 /nfs/dbraw/zinc/28/61/66/900286166.db2.gz CXAYTRVUFRXTPU-ZDUSSCGKSA-N 1 0 320.393 1.997 20 5 DDBDRO CCC[N@H+](C)CC(=O)NCCN(C)c1nc(C)ccc1[N+](=O)[O-] ZINC001263679282 900667641 /nfs/dbraw/zinc/66/76/41/900667641.db2.gz MEXXSAQHXPZWEP-UHFFFAOYSA-N 1 0 323.397 1.192 20 5 DDBDRO COCCO[C@@H]1C[C@H](CO)C[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000278261678 214054214 /nfs/dbraw/zinc/05/42/14/214054214.db2.gz IGZVKZREEOZTEX-DZGCQCFKSA-N 1 0 324.377 1.441 20 5 DDBDRO COc1cc(C(=O)N[C@@H]2CC[NH2+][C@H](C)C2)cc([N+](=O)[O-])c1OC ZINC000278314970 214084006 /nfs/dbraw/zinc/08/40/06/214084006.db2.gz UHKUCJHXIQMMGY-MWLCHTKSSA-N 1 0 323.349 1.482 20 5 DDBDRO COC[C@H](C)OC[C@H](O)C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000278442461 214156745 /nfs/dbraw/zinc/15/67/45/214156745.db2.gz WKHUCHBOKGRWHE-RWMBFGLXSA-N 1 0 312.366 1.658 20 5 DDBDRO CCc1n[nH]c(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000278571648 214244982 /nfs/dbraw/zinc/24/49/82/214244982.db2.gz KNSRYTXLAWUNOK-NXEZZACHSA-N 1 0 309.370 1.435 20 5 DDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)c1cc([C@H]2CC[NH2+]C2)[nH]n1 ZINC000278651696 214303268 /nfs/dbraw/zinc/30/32/68/214303268.db2.gz ANRFZGROMUGRPG-VIFPVBQESA-N 1 0 301.306 1.647 20 5 DDBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2C[C@H](O)C[C@H]2[C@H]2CCCOC2)cc1 ZINC000451306468 231063236 /nfs/dbraw/zinc/06/32/36/231063236.db2.gz YHKCGJXGGUVPCI-UAGQMJEPSA-N 1 0 320.389 1.999 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@@H]([NH3+])Cc2ccccc21 ZINC000424080444 282167627 /nfs/dbraw/zinc/16/76/27/282167627.db2.gz TYULCJBWIXPYCP-LBPRGKRZSA-N 1 0 312.329 1.828 20 5 DDBDRO CC[C@@H](CO)[N@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000295655215 529503049 /nfs/dbraw/zinc/50/30/49/529503049.db2.gz HSIXEHQZKNFOME-LBPRGKRZSA-N 1 0 307.350 1.187 20 5 DDBDRO CO[C@]1(C)C[C@@H]([N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)C1(C)C ZINC000090551324 185302596 /nfs/dbraw/zinc/30/25/96/185302596.db2.gz FCFXUGVRJZIKLR-CZUORRHYSA-N 1 0 323.393 1.892 20 5 DDBDRO COC(=O)c1cc(C)nc(NCC2([NH+](C)C)CCC2)c1[N+](=O)[O-] ZINC000286651382 219105116 /nfs/dbraw/zinc/10/51/16/219105116.db2.gz LMSZIWWPTUZAGY-UHFFFAOYSA-N 1 0 322.365 1.981 20 5 DDBDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)c3cccc([N+](=O)[O-])c3N)[C@@H]2C1 ZINC000425048276 529823276 /nfs/dbraw/zinc/82/32/76/529823276.db2.gz BBRXBHNGXJVJTJ-GXFFZTMASA-N 1 0 304.350 1.343 20 5 DDBDRO C[N@H+](CC(C)(C)CO)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000451260356 529848239 /nfs/dbraw/zinc/84/82/39/529848239.db2.gz ZKUVJAYKYVXOHT-AWEZNQCLSA-N 1 0 321.377 1.650 20 5 DDBDRO O=C(NCC[NH+]1CCCCCC1)Nc1ccncc1[N+](=O)[O-] ZINC000272655168 282318162 /nfs/dbraw/zinc/31/81/62/282318162.db2.gz GCDPHPACSUIUOT-UHFFFAOYSA-N 1 0 307.354 1.987 20 5 DDBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1N)C1=CC[N@H+](C)CC1 ZINC000272753448 210157625 /nfs/dbraw/zinc/15/76/25/210157625.db2.gz FDDNCQXIZFDJQL-SNVBAGLBSA-N 1 0 304.350 1.557 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC(C)(C)C[NH+]1CCCC1 ZINC000457053157 231974594 /nfs/dbraw/zinc/97/45/94/231974594.db2.gz OSWCQJCKKHBDGT-UHFFFAOYSA-N 1 0 309.370 1.090 20 5 DDBDRO C[C@H]1C[C@H](NC(=O)COc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000330918568 232161863 /nfs/dbraw/zinc/16/18/63/232161863.db2.gz XMDBFEPJPFLFJU-NWDGAFQWSA-N 1 0 307.350 1.573 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H](O)C(C)(C)C1 ZINC000279892500 215212166 /nfs/dbraw/zinc/21/21/66/215212166.db2.gz UTQUEMFBGFGHDF-CQSZACIVSA-N 1 0 321.377 1.935 20 5 DDBDRO CC(C)(C(=O)NCC[C@@H]1CCC[NH2+]C1)n1cc([N+](=O)[O-])cn1 ZINC000236709143 201975187 /nfs/dbraw/zinc/97/51/87/201975187.db2.gz ZOEFDJRBDCDCGD-NSHDSACASA-N 1 0 309.370 1.032 20 5 DDBDRO C[N@@H+]1CCC[C@@H]2CN(c3ncc([N+](=O)[O-])cc3C(N)=O)CC[C@@H]21 ZINC000133704275 186008646 /nfs/dbraw/zinc/00/86/46/186008646.db2.gz ORDNHJNRPJQWCJ-MFKMUULPSA-N 1 0 319.365 1.009 20 5 DDBDRO CC[NH+](CC)[C@@H](C)CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000181878527 186214022 /nfs/dbraw/zinc/21/40/22/186214022.db2.gz IXZGDTWQEDETCB-JTQLQIEISA-N 1 0 323.349 1.784 20 5 DDBDRO COC[C@@H]1CCC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000181878927 186214099 /nfs/dbraw/zinc/21/40/99/186214099.db2.gz SIPZURBNOKEKJI-KGLIPLIRSA-N 1 0 324.377 1.693 20 5 DDBDRO CC1(C)[C@@H]2C[N@@H+](C[C@H](O)COc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000181914248 186218201 /nfs/dbraw/zinc/21/82/01/186218201.db2.gz IRFXERZWUUJQAI-RWMBFGLXSA-N 1 0 306.362 1.922 20 5 DDBDRO CC[N@@H+]1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000277193075 213357463 /nfs/dbraw/zinc/35/74/63/213357463.db2.gz BORTWMANCMFFBS-LLVKDONJSA-N 1 0 307.350 1.675 20 5 DDBDRO C[C@H]1C[NH+](CCCNC(=O)c2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000047432965 352495503 /nfs/dbraw/zinc/49/55/03/352495503.db2.gz YZHZBALFGUFOST-STQMWFEESA-N 1 0 321.377 1.824 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000057716562 352825917 /nfs/dbraw/zinc/82/59/17/352825917.db2.gz AHQZNMYGUSGGNL-JTQLQIEISA-N 1 0 307.350 1.816 20 5 DDBDRO CNC(=O)c1ccc(N2CCC([NH2+]C(C)C)CC2)c([N+](=O)[O-])c1 ZINC000057838292 352830732 /nfs/dbraw/zinc/83/07/32/352830732.db2.gz QYHAAOHKNWPHPC-UHFFFAOYSA-N 1 0 320.393 1.921 20 5 DDBDRO CNC(=O)c1ccc(N[C@H]2CC[N@@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000067711410 353064187 /nfs/dbraw/zinc/06/41/87/353064187.db2.gz FAHRYWYIOOCWBP-NSHDSACASA-N 1 0 304.350 1.603 20 5 DDBDRO C[NH+](C)[C@@H]1CCCN(C(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000068342315 353105981 /nfs/dbraw/zinc/10/59/81/353105981.db2.gz QILYLJNUMCCHTO-CYBMUJFWSA-N 1 0 307.350 1.526 20 5 DDBDRO C[NH+](C)[C@H]1CCCN(C(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000068342316 353106056 /nfs/dbraw/zinc/10/60/56/353106056.db2.gz QILYLJNUMCCHTO-ZDUSSCGKSA-N 1 0 307.350 1.526 20 5 DDBDRO COc1cc(OCC(=O)NC[C@H](C)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000068856136 353133155 /nfs/dbraw/zinc/13/31/55/353133155.db2.gz QAVSYFGPSJAYKL-JTQLQIEISA-N 1 0 311.338 1.049 20 5 DDBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000072731514 353213335 /nfs/dbraw/zinc/21/33/35/353213335.db2.gz QQBAUNRFDBXTPA-LBPRGKRZSA-N 1 0 306.366 1.727 20 5 DDBDRO CC(C)(CCS(C)(=O)=O)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000174637620 198363861 /nfs/dbraw/zinc/36/38/61/198363861.db2.gz IJNQKQCSBCKMAW-UHFFFAOYSA-N 1 0 306.409 1.959 20 5 DDBDRO C[C@@H](CCNC(=O)Cn1cc([N+](=O)[O-])cn1)[NH+]1CCCCC1 ZINC000183107369 295864922 /nfs/dbraw/zinc/86/49/22/295864922.db2.gz HMZSTJRCVWLBEA-LBPRGKRZSA-N 1 0 309.370 1.172 20 5 DDBDRO Nc1ccc(C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000076694565 353433641 /nfs/dbraw/zinc/43/36/41/353433641.db2.gz UQAVYSGECGZBKN-ZDUSSCGKSA-N 1 0 318.377 1.877 20 5 DDBDRO CCOc1ccc(C(=O)NCCC[NH2+]C2CC2)cc1[N+](=O)[O-] ZINC000565002588 304035443 /nfs/dbraw/zinc/03/54/43/304035443.db2.gz XQNHZEHNXNRNGA-UHFFFAOYSA-N 1 0 307.350 1.865 20 5 DDBDRO CCOC(=O)c1ccnc(NCC(C)(C)[NH+](C)C)c1[N+](=O)[O-] ZINC000077903578 353497041 /nfs/dbraw/zinc/49/70/41/353497041.db2.gz HENIFBPOUFLZMW-UHFFFAOYSA-N 1 0 310.354 1.919 20 5 DDBDRO [NH3+][C@@H]1CCC[C@H](NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000124992836 354043204 /nfs/dbraw/zinc/04/32/04/354043204.db2.gz BIYWLPTWVWBAQX-NEPJUHHUSA-N 1 0 313.379 1.284 20 5 DDBDRO Cc1ccc([C@H](C)[NH2+]CCC2CS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000345639158 282994889 /nfs/dbraw/zinc/99/48/89/282994889.db2.gz MTMAQYXUDINSMN-NSHDSACASA-N 1 0 312.391 1.989 20 5 DDBDRO CCCN(C(=O)CNc1ccccc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000236792483 202012191 /nfs/dbraw/zinc/01/21/91/202012191.db2.gz VNXNSOGIBWWZAP-UHFFFAOYSA-N 1 0 320.393 1.997 20 5 DDBDRO COc1cc(OCC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000161938326 354244685 /nfs/dbraw/zinc/24/46/85/354244685.db2.gz DLZYRWHKOYFDDO-GHMZBOCLSA-N 1 0 323.349 1.368 20 5 DDBDRO C[N@H+](C[C@@H](O)Cn1cc(Br)c([N+](=O)[O-])n1)C1CC1 ZINC000290864245 354445208 /nfs/dbraw/zinc/44/52/08/354445208.db2.gz YXEQSFCKIZFFQK-MRVPVSSYSA-N 1 0 319.159 1.009 20 5 DDBDRO COc1ccc(S(=O)(=O)N[C@@H](C)C[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000320451111 354527022 /nfs/dbraw/zinc/52/70/22/354527022.db2.gz CIIKCJRNCKDAQT-BDAKNGLRSA-N 1 0 317.367 1.008 20 5 DDBDRO CC(C)[NH2+]CCC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000320404935 354527277 /nfs/dbraw/zinc/52/72/77/354527277.db2.gz WLDFJQGEBUSRHW-UHFFFAOYSA-N 1 0 320.393 1.632 20 5 DDBDRO CC[NH2+]CCCNC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000315079796 354490237 /nfs/dbraw/zinc/49/02/37/354490237.db2.gz AAJHKCRUNURUHE-UHFFFAOYSA-N 1 0 311.338 1.341 20 5 DDBDRO CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(OC)c2)CC[C@H]1[NH3+] ZINC000317487939 354511419 /nfs/dbraw/zinc/51/14/19/354511419.db2.gz DNRLRRFAOSZKSI-ZYHUDNBSSA-N 1 0 307.350 1.803 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@H]2Cc3ccccc32)c1 ZINC000317772838 354512808 /nfs/dbraw/zinc/51/28/08/354512808.db2.gz WFWNJNVZYAADTG-OCCSQVGLSA-N 1 0 302.334 1.082 20 5 DDBDRO COC[C@@]1(CNC(=O)CCc2cccc([N+](=O)[O-])c2)CCC[NH2+]1 ZINC000357268283 291040121 /nfs/dbraw/zinc/04/01/21/291040121.db2.gz GXWBMLRPAFHCNR-INIZCTEOSA-N 1 0 321.377 1.412 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CCC[C@@H]([NH2+]C(C)C)C2)n1 ZINC000587630396 354884110 /nfs/dbraw/zinc/88/41/10/354884110.db2.gz GNJBSAGJRLBFFZ-LLVKDONJSA-N 1 0 322.365 1.743 20 5 DDBDRO CC[C@@H](C[NH+]1CCCC1)Nc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000587979807 354888875 /nfs/dbraw/zinc/88/88/75/354888875.db2.gz STPBMWMGWSAQSL-LBPRGKRZSA-N 1 0 308.382 1.956 20 5 DDBDRO Nc1cc(NCC2CC[NH+](C3CC3)CC2)cc(CO)c1[N+](=O)[O-] ZINC000588034986 354896512 /nfs/dbraw/zinc/89/65/12/354896512.db2.gz GLHWKUNBJRBCHT-UHFFFAOYSA-N 1 0 320.393 1.956 20 5 DDBDRO C[C@@H](C[NH3+])CN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000423313202 295892445 /nfs/dbraw/zinc/89/24/45/295892445.db2.gz WJMJQOFMRIFMPD-FZMZJTMJSA-N 1 0 303.366 1.602 20 5 DDBDRO Cc1c(C(=O)N2CC[C@H]([N@@H+]3CC[C@H](O)C3)C2)cccc1[N+](=O)[O-] ZINC000588860604 354943764 /nfs/dbraw/zinc/94/37/64/354943764.db2.gz JYQOATUSLJYVOG-STQMWFEESA-N 1 0 319.361 1.184 20 5 DDBDRO C[NH+](C)C[C@@H](CO)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000589102001 354959469 /nfs/dbraw/zinc/95/94/69/354959469.db2.gz SFZPHJJBSLWJPN-VIFPVBQESA-N 1 0 307.272 1.948 20 5 DDBDRO COc1ccc(C[NH2+][C@@H]2CCn3ccnc3C2)cc1[N+](=O)[O-] ZINC000494405216 235032310 /nfs/dbraw/zinc/03/23/10/235032310.db2.gz MHEJWOKFSGJMIS-GFCCVEGCSA-N 1 0 302.334 1.905 20 5 DDBDRO COc1cc(C(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)cc([N+](=O)[O-])c1C ZINC000590047191 355044859 /nfs/dbraw/zinc/04/48/59/355044859.db2.gz XDJJTURWRTUFNN-SMDDNHRTSA-N 1 0 319.361 1.688 20 5 DDBDRO Cc1nn(CCC(=O)N2CC[C@@H]([NH+](C)C)[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000590402892 355085544 /nfs/dbraw/zinc/08/55/44/355085544.db2.gz KGESMIYIAPGYRC-WCQYABFASA-N 1 0 323.397 1.349 20 5 DDBDRO C[NH+]1CCC2(CCN(C(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)C2)CC1 ZINC000590376089 355078300 /nfs/dbraw/zinc/07/83/00/355078300.db2.gz URSAMGNDPTUHJK-UHFFFAOYSA-N 1 0 320.349 1.253 20 5 DDBDRO CC[C@@H]1CN(C(=O)NCc2cccc([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000591348363 355294230 /nfs/dbraw/zinc/29/42/30/355294230.db2.gz XEVZUZHPGGONPB-TZMCWYRMSA-N 1 0 306.366 1.864 20 5 DDBDRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000591347924 355294412 /nfs/dbraw/zinc/29/44/12/355294412.db2.gz DZOBNLJTKUEGLP-DGCLKSJQSA-N 1 0 306.366 1.912 20 5 DDBDRO CC[C@H]1CN(C(=O)NCCc2cccc([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000591356128 355298287 /nfs/dbraw/zinc/29/82/87/355298287.db2.gz RCDGNWQRNKFMHL-ZFWWWQNUSA-N 1 0 320.393 1.906 20 5 DDBDRO [NH3+]C/C=C/CNC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000591361034 355301923 /nfs/dbraw/zinc/30/19/23/355301923.db2.gz XTQHUUMQMLWHNE-VSZDKKFSSA-N 1 0 318.377 1.999 20 5 DDBDRO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(c2ncc([N+](=O)[O-])cc2F)CC1 ZINC000591446276 355313767 /nfs/dbraw/zinc/31/37/67/355313767.db2.gz YMPOCBYVPNUVPL-ZIAGYGMSSA-N 1 0 324.356 1.852 20 5 DDBDRO C[C@H]1C[C@@H](CO)C[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000591505192 355322095 /nfs/dbraw/zinc/32/20/95/355322095.db2.gz DOKXVNXAAOMFOI-NWDGAFQWSA-N 1 0 322.361 1.816 20 5 DDBDRO CO[C@@H](C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000591767777 355380918 /nfs/dbraw/zinc/38/09/18/355380918.db2.gz JFRAXPSSBMKWIH-WFASDCNBSA-N 1 0 310.350 1.349 20 5 DDBDRO CC(C)(C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccnc1 ZINC000591770785 355381682 /nfs/dbraw/zinc/38/16/82/355381682.db2.gz CYICRIFNRGAUBJ-AWEZNQCLSA-N 1 0 319.365 1.115 20 5 DDBDRO COc1ccccc1[C@@H]([NH3+])CNC(=O)c1cc([N+](=O)[O-])cn1C ZINC000591681020 355360940 /nfs/dbraw/zinc/36/09/40/355360940.db2.gz MMBVBQXTPMDYNY-LBPRGKRZSA-N 1 0 318.333 1.372 20 5 DDBDRO CCc1ccc(C(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000592309478 355556848 /nfs/dbraw/zinc/55/68/48/355556848.db2.gz RHINGPYLMZBIHH-IINYFYTJSA-N 1 0 307.350 1.345 20 5 DDBDRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000592309469 355556869 /nfs/dbraw/zinc/55/68/69/355556869.db2.gz RCTXGXZUIJONHU-PELKAZGASA-N 1 0 313.741 1.436 20 5 DDBDRO COc1ccc(CC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000592330774 355560380 /nfs/dbraw/zinc/56/03/80/355560380.db2.gz DMGFFXQDKLPYPX-NWDGAFQWSA-N 1 0 307.350 1.532 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CC2(CO)CCC2)c1 ZINC000592430587 355581447 /nfs/dbraw/zinc/58/14/47/355581447.db2.gz TZSRTADQJFVNIB-CYBMUJFWSA-N 1 0 310.350 1.087 20 5 DDBDRO CN(CCC[NH3+])S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000592372549 355569315 /nfs/dbraw/zinc/56/93/15/355569315.db2.gz KDOAYESEKRGRKX-UHFFFAOYSA-N 1 0 307.759 1.218 20 5 DDBDRO O=[N+]([O-])c1ccc(-c2noc(CN3C[C@@H]4C[C@H]3C[NH2+]4)n2)cc1 ZINC000601327247 358498809 /nfs/dbraw/zinc/49/88/09/358498809.db2.gz MTMNDEATTIZBDX-JQWIXIFHSA-N 1 0 301.306 1.191 20 5 DDBDRO CC[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000593071883 355787172 /nfs/dbraw/zinc/78/71/72/355787172.db2.gz VMYXVCQUPFIUKS-KGLIPLIRSA-N 1 0 324.377 1.835 20 5 DDBDRO C[C@@H]1C[N@H+](C)[C@H](C)[C@H](C)N1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000593187544 355820142 /nfs/dbraw/zinc/82/01/42/355820142.db2.gz LQYORTDHMSBWMH-UPJWGTAASA-N 1 0 321.377 1.913 20 5 DDBDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593578993 355933136 /nfs/dbraw/zinc/93/31/36/355933136.db2.gz RQBUIIFUODOSOX-WDEREUQCSA-N 1 0 309.341 1.827 20 5 DDBDRO O=C1C[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)CN1C1CC1 ZINC000593682621 355965141 /nfs/dbraw/zinc/96/51/41/355965141.db2.gz WAPCJUXISIKFRI-SNVBAGLBSA-N 1 0 307.325 1.834 20 5 DDBDRO CCCc1n[nH]c(C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1[N+](=O)[O-] ZINC000593912357 356055918 /nfs/dbraw/zinc/05/59/18/356055918.db2.gz LYQYQVUVBGKLHC-BONVTDFDSA-N 1 0 321.381 1.471 20 5 DDBDRO C[NH2+][C@@H]1CCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000346639735 283140491 /nfs/dbraw/zinc/14/04/91/283140491.db2.gz JYITWAYKIUSEER-SNVBAGLBSA-N 1 0 301.293 1.990 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@@H]2CCC3(CCCC3)O2)c1 ZINC000594575088 356253193 /nfs/dbraw/zinc/25/31/93/356253193.db2.gz PAFUJDCEIICQFC-KGLIPLIRSA-N 1 0 324.381 1.234 20 5 DDBDRO CO[C@](C)(CO)C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000594507204 356239328 /nfs/dbraw/zinc/23/93/28/356239328.db2.gz AWUJZUKSHMPBSR-OBJOEFQTSA-N 1 0 312.370 1.262 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC[C@H](C)[NH+](C)C ZINC000594816748 356326250 /nfs/dbraw/zinc/32/62/50/356326250.db2.gz KJGZXRAVTFJNLV-NSHDSACASA-N 1 0 315.395 1.522 20 5 DDBDRO COc1cc(C[NH2+]CCO[C@@H]2CC2(F)F)c([N+](=O)[O-])cc1O ZINC000594970064 356365935 /nfs/dbraw/zinc/36/59/35/356365935.db2.gz CJQXXMOKKOCQFX-GFCCVEGCSA-N 1 0 318.276 1.823 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H](C)Cn1cncn1 ZINC000595016105 356372265 /nfs/dbraw/zinc/37/22/65/356372265.db2.gz PZTDHZKDOOUUKJ-WDEREUQCSA-N 1 0 305.338 1.934 20 5 DDBDRO C[NH2+]C[C@@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000595118655 356385572 /nfs/dbraw/zinc/38/55/72/356385572.db2.gz FTSSKJFRRNIEMT-SECBINFHSA-N 1 0 324.362 1.029 20 5 DDBDRO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000595222482 356411451 /nfs/dbraw/zinc/41/14/51/356411451.db2.gz JFSQMNXPDLULLD-GFCCVEGCSA-N 1 0 306.366 1.775 20 5 DDBDRO C[C@@H]1CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C[C@@H]1[NH3+] ZINC000595229383 356412656 /nfs/dbraw/zinc/41/26/56/356412656.db2.gz WHUTZHBTSVTCLV-MFKMUULPSA-N 1 0 318.377 1.978 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NCC1([NH3+])CCCC1 ZINC000595262780 356425269 /nfs/dbraw/zinc/42/52/69/356425269.db2.gz DMQJNTKJFHVMDQ-UHFFFAOYSA-N 1 0 322.365 1.674 20 5 DDBDRO CCC[N@@H+]1CC[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000595353705 356460854 /nfs/dbraw/zinc/46/08/54/356460854.db2.gz JUMQQPUZCISXOA-NSHDSACASA-N 1 0 313.379 1.357 20 5 DDBDRO C[NH2+][C@@H]1CCN(S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)C1 ZINC000601338010 358505551 /nfs/dbraw/zinc/50/55/51/358505551.db2.gz GXVCSALZTKCPKA-SECBINFHSA-N 1 0 317.342 1.025 20 5 DDBDRO O=[N+]([O-])c1ccn(C2CC[NH+](CCO[C@H]3CC3(F)F)CC2)n1 ZINC000595478577 356509919 /nfs/dbraw/zinc/50/99/19/356509919.db2.gz ARXAXYYAIHHHKT-NSHDSACASA-N 1 0 316.308 1.852 20 5 DDBDRO Cc1nc([N+](=O)[O-])c(-c2noc(CC3CC[NH+](C)CC3)n2)n1C ZINC000347131129 283189306 /nfs/dbraw/zinc/18/93/06/283189306.db2.gz DATCSFYHOIRJQS-UHFFFAOYSA-N 1 0 320.353 1.571 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](CO)C1CCC1 ZINC000595615053 356577659 /nfs/dbraw/zinc/57/76/59/356577659.db2.gz FXKBLQDBOKGYRE-CQSZACIVSA-N 1 0 307.350 1.592 20 5 DDBDRO COc1ccc(C[N@@H+]2CC[C@H]3NC(=O)CC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000595744271 356631958 /nfs/dbraw/zinc/63/19/58/356631958.db2.gz VHQBGQPZIFARMN-CHWSQXEVSA-N 1 0 319.361 1.704 20 5 DDBDRO NC(=O)c1ccc(C[NH2+][C@@H]2C[C@@H](O)C23CCC3)c([N+](=O)[O-])c1 ZINC000595780604 356649698 /nfs/dbraw/zinc/64/96/98/356649698.db2.gz IDDDQMSIYFKQLD-CHWSQXEVSA-N 1 0 305.334 1.087 20 5 DDBDRO CC[NH2+]CC1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000237043297 202131778 /nfs/dbraw/zinc/13/17/78/202131778.db2.gz LFOUHZFYZNUXOC-UHFFFAOYSA-N 1 0 306.366 1.639 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC3(COC3)C2)c1 ZINC000595835395 356671752 /nfs/dbraw/zinc/67/17/52/356671752.db2.gz PBWNQLQXYMITQG-CYBMUJFWSA-N 1 0 308.334 1.057 20 5 DDBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000595906782 356700880 /nfs/dbraw/zinc/70/08/80/356700880.db2.gz NOHIFHFNPMKXEY-ZWKOPEQDSA-N 1 0 310.329 1.293 20 5 DDBDRO O=C(NCc1ccccc1[N+](=O)[O-])c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000595919060 356704952 /nfs/dbraw/zinc/70/49/52/356704952.db2.gz GAVSQSIHLXLTHS-LLVKDONJSA-N 1 0 315.333 1.325 20 5 DDBDRO O=C(CCNc1ccccc1[N+](=O)[O-])NCC12CC(C1)C[NH2+]2 ZINC000595946344 356717430 /nfs/dbraw/zinc/71/74/30/356717430.db2.gz BOBLCEAHLFUBNS-UHFFFAOYSA-N 1 0 304.350 1.265 20 5 DDBDRO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595959175 356723830 /nfs/dbraw/zinc/72/38/30/356723830.db2.gz BZCUQCCTQVSWHI-GFCCVEGCSA-N 1 0 306.366 1.775 20 5 DDBDRO CC[N@@H+]1C[C@H](C)N(c2ccc([N+](=O)[O-])c(C(N)=O)c2)C[C@H]1C ZINC000596176407 356802732 /nfs/dbraw/zinc/80/27/32/356802732.db2.gz FVCYCRMVWFQOGI-MNOVXSKESA-N 1 0 306.366 1.613 20 5 DDBDRO CN(C[C@H]1CCC[N@H+](C)C1)c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596129861 356784958 /nfs/dbraw/zinc/78/49/58/356784958.db2.gz RRRMSCGRJLLWHR-NSHDSACASA-N 1 0 306.366 1.472 20 5 DDBDRO CC1(C)Cc2n[nH]cc2C[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000596596977 356929256 /nfs/dbraw/zinc/92/92/56/356929256.db2.gz HRIABAYVDVXDSY-UHFFFAOYSA-N 1 0 304.354 1.599 20 5 DDBDRO CCC[N@H+](C)CC(C)(C)NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000596817871 356985157 /nfs/dbraw/zinc/98/51/57/356985157.db2.gz UHDNLGTXKMBCHO-UHFFFAOYSA-N 1 0 309.370 1.654 20 5 DDBDRO C[C@H](CNC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N)[NH+](C)C ZINC000597094744 357059573 /nfs/dbraw/zinc/05/95/73/357059573.db2.gz JJCMDYISHXHIPI-SSDOTTSWSA-N 1 0 315.761 1.902 20 5 DDBDRO Cc1ncc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)n1C ZINC000597115653 357065304 /nfs/dbraw/zinc/06/53/04/357065304.db2.gz AMKBZEZCEAWEOP-UHFFFAOYSA-N 1 0 304.354 1.670 20 5 DDBDRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000597859576 357361532 /nfs/dbraw/zinc/36/15/32/357361532.db2.gz VFNYJBUBRWPORO-JTQLQIEISA-N 1 0 324.356 1.919 20 5 DDBDRO Cn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)n1 ZINC000597860018 357362103 /nfs/dbraw/zinc/36/21/03/357362103.db2.gz JWJRPTUBTRLQBQ-SNVBAGLBSA-N 1 0 309.370 1.179 20 5 DDBDRO CCN(C(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-])[C@@H]1CC[N@H+](CC)C1 ZINC000598041277 357439643 /nfs/dbraw/zinc/43/96/43/357439643.db2.gz SFCAIXINGURTQK-LLVKDONJSA-N 1 0 323.397 1.998 20 5 DDBDRO Cc1cc(OCC(=O)N(C)CC2C[NH+](C)C2)ccc1[N+](=O)[O-] ZINC000598162640 357478610 /nfs/dbraw/zinc/47/86/10/357478610.db2.gz YAHACODBSAPWFA-UHFFFAOYSA-N 1 0 307.350 1.302 20 5 DDBDRO CCC[N@@H+]1CC[C@@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000598343799 357546817 /nfs/dbraw/zinc/54/68/17/357546817.db2.gz YFVCRRVMHXWLLJ-SNVBAGLBSA-N 1 0 321.333 1.538 20 5 DDBDRO CC[NH+]1CCC(CNc2nccc(C(=O)OC)c2[N+](=O)[O-])CC1 ZINC000598589647 357643005 /nfs/dbraw/zinc/64/30/05/357643005.db2.gz UJWBFYPZUWKZBH-UHFFFAOYSA-N 1 0 322.365 1.920 20 5 DDBDRO COC(=O)c1ccnc(N2CC[N@H+](C)[C@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000598622120 357658491 /nfs/dbraw/zinc/65/84/91/357658491.db2.gz ZMUDIPLUJBQFMB-LBPRGKRZSA-N 1 0 322.365 1.553 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000598671102 357680024 /nfs/dbraw/zinc/68/00/24/357680024.db2.gz ZFRZQMXCIOZVEQ-BDJLRTHQSA-N 1 0 319.361 1.947 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CC[C@@H]2CC2(F)F)c1 ZINC000598730384 357707099 /nfs/dbraw/zinc/70/70/99/357707099.db2.gz UOAGGQZUXHYAGE-ZYHUDNBSSA-N 1 0 316.304 1.969 20 5 DDBDRO CN1CCOC[C@@H]1C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000599076046 357808204 /nfs/dbraw/zinc/80/82/04/357808204.db2.gz BOEGFINYKADNFP-JKSUJKDBSA-N 1 0 319.405 1.836 20 5 DDBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)cc1 ZINC000599632452 357999326 /nfs/dbraw/zinc/99/93/26/357999326.db2.gz ONPCRWOVEQCUCL-GTQRCTGISA-N 1 0 324.402 1.959 20 5 DDBDRO C[C@@H]1CC[C@@H](NC(=O)NCCOc2ccc([N+](=O)[O-])cc2)C[NH2+]1 ZINC000599924765 358081949 /nfs/dbraw/zinc/08/19/49/358081949.db2.gz OXHOLJNKTBLYDR-VXGBXAGGSA-N 1 0 322.365 1.413 20 5 DDBDRO CNc1ccc(C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1[N+](=O)[O-] ZINC000565537363 304074789 /nfs/dbraw/zinc/07/47/89/304074789.db2.gz DSAUUKPVUXGESV-YNEHKIRRSA-N 1 0 318.377 1.836 20 5 DDBDRO CC[C@@H]1[C@@H](C(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000601006267 358379260 /nfs/dbraw/zinc/37/92/60/358379260.db2.gz TUXDCPWPPZAFIE-QWHCGFSZSA-N 1 0 321.377 1.950 20 5 DDBDRO COC(=O)c1cc(NC(=O)[C@]2(C)CCCC[NH2+]2)cc([N+](=O)[O-])c1 ZINC000180921478 199228366 /nfs/dbraw/zinc/22/83/66/199228366.db2.gz VLYDXVJLAGKICH-HNNXBMFYSA-N 1 0 321.333 1.852 20 5 DDBDRO C[C@@H]1CCC[N@H+](CCNC(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000180931954 199229210 /nfs/dbraw/zinc/22/92/10/199229210.db2.gz GUSVYIBWFOXCSA-LLVKDONJSA-N 1 0 306.366 1.639 20 5 DDBDRO O=[N+]([O-])c1ccc(CN2CCOCC2)cc1N[C@H]1C[C@@H](CO)C1 ZINC000601211620 358449751 /nfs/dbraw/zinc/44/97/51/358449751.db2.gz FRRQZQHSKCJLJO-OKILXGFUSA-N 1 0 321.377 1.610 20 5 DDBDRO NC(=O)c1cccc(N2CC[NH+](CC3CC3)CC2)c1[N+](=O)[O-] ZINC000439106350 283385088 /nfs/dbraw/zinc/38/50/88/283385088.db2.gz LZCKBCZHSRJHTB-UHFFFAOYSA-N 1 0 304.350 1.226 20 5 DDBDRO [NH3+]CCCCNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000181095530 199252286 /nfs/dbraw/zinc/25/22/86/199252286.db2.gz UFTOPNZKDZDUQJ-UHFFFAOYSA-N 1 0 306.366 1.664 20 5 DDBDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000348157552 283394539 /nfs/dbraw/zinc/39/45/39/283394539.db2.gz GJMRLMFEPXXYCR-MNOVXSKESA-N 1 0 318.333 1.740 20 5 DDBDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000348169604 283400158 /nfs/dbraw/zinc/40/01/58/283400158.db2.gz RZJGTOWDHNGONG-KGLIPLIRSA-N 1 0 307.350 1.478 20 5 DDBDRO COc1ccc(C(=O)N[C@H]2C[C@@H]([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000602174829 358864439 /nfs/dbraw/zinc/86/44/39/358864439.db2.gz VGVXKSBUXGJHNF-BETUJISGSA-N 1 0 319.361 1.960 20 5 DDBDRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000602573217 359050067 /nfs/dbraw/zinc/05/00/67/359050067.db2.gz ZASPLUDTOKSYCW-WCQYABFASA-N 1 0 318.377 1.675 20 5 DDBDRO CC(C)(C)c1ccc(C(=O)NC[C@@H]2COCC[NH2+]2)cc1[N+](=O)[O-] ZINC000602557475 359044531 /nfs/dbraw/zinc/04/45/31/359044531.db2.gz OQLCFQCNVNTTMJ-GFCCVEGCSA-N 1 0 321.377 1.611 20 5 DDBDRO CC[C@@H](C)[C@@H](O)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602564863 359047359 /nfs/dbraw/zinc/04/73/59/359047359.db2.gz POLTUAJGZBBRBD-DOMZBBRYSA-N 1 0 322.409 1.955 20 5 DDBDRO COC[C@H](O)C[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602654218 359103243 /nfs/dbraw/zinc/10/32/43/359103243.db2.gz QPKZOAKWUWLOJO-SNVBAGLBSA-N 1 0 308.256 1.711 20 5 DDBDRO CO[C@H](CN(CC[NH3+])c1ccccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000602659886 359107089 /nfs/dbraw/zinc/10/70/89/359107089.db2.gz VAMVYPSEFQKRRY-SWLSCSKDSA-N 1 0 309.366 1.411 20 5 DDBDRO C[C@H](c1ccccc1)[C@H](CO)[NH2+]Cc1cn(C)nc1[N+](=O)[O-] ZINC000602810854 359208170 /nfs/dbraw/zinc/20/81/70/359208170.db2.gz OVRBKUGNTSWFCR-RISCZKNCSA-N 1 0 304.350 1.583 20 5 DDBDRO CCNC(=O)C[C@@H]1CCCC[N@@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602829657 359222655 /nfs/dbraw/zinc/22/26/55/359222655.db2.gz WZUIXVGCQXCROH-LBPRGKRZSA-N 1 0 309.370 1.209 20 5 DDBDRO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3cn(C)nc3[N+](=O)[O-])[C@@H]2C1 ZINC000602834197 359224910 /nfs/dbraw/zinc/22/49/10/359224910.db2.gz SURUXXNVFAXXPZ-IACUBPJLSA-N 1 0 321.381 1.065 20 5 DDBDRO Cn1cc(CC[NH2+][C@](C)(CO)c2cccc([N+](=O)[O-])c2)cn1 ZINC000602961752 359325505 /nfs/dbraw/zinc/32/55/05/359325505.db2.gz CEVOHIHHNNIFDL-OAHLLOKOSA-N 1 0 304.350 1.368 20 5 DDBDRO CN(CC[N@H+](C)C1CC1)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000186797579 200012397 /nfs/dbraw/zinc/01/23/97/200012397.db2.gz IUKZZJDAWRSWNJ-UHFFFAOYSA-N 1 0 317.349 1.637 20 5 DDBDRO Cc1cnc(N2CCC([N@H+]3CCOC[C@@H]3C)CC2)c([N+](=O)[O-])c1 ZINC000603404409 359619324 /nfs/dbraw/zinc/61/93/24/359619324.db2.gz YFQXILZARXTVAK-ZDUSSCGKSA-N 1 0 320.393 1.988 20 5 DDBDRO C[N@H+](CCn1ccc(N)c([N+](=O)[O-])c1=O)Cc1ccc(F)cc1 ZINC000603420729 359629163 /nfs/dbraw/zinc/62/91/63/359629163.db2.gz OLAMMLGBOJEDFA-UHFFFAOYSA-N 1 0 320.324 1.610 20 5 DDBDRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000237537577 202274605 /nfs/dbraw/zinc/27/46/05/202274605.db2.gz DRQASLYYPDXUGT-SMDDNHRTSA-N 1 0 307.350 1.702 20 5 DDBDRO C[C@H](C[NH3+])CNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000237566599 202286753 /nfs/dbraw/zinc/28/67/53/202286753.db2.gz HIUIEUPMOAIBHE-SSDOTTSWSA-N 1 0 316.155 1.682 20 5 DDBDRO O=C(NCC[N@@H+]1CCCOCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000188818166 200307162 /nfs/dbraw/zinc/30/71/62/200307162.db2.gz YKTDJORZAWKSIY-UHFFFAOYSA-N 1 0 308.338 1.439 20 5 DDBDRO O=C(CC1CC[NH2+]CC1)NCCNc1ccccc1[N+](=O)[O-] ZINC000238137983 202445125 /nfs/dbraw/zinc/44/51/25/202445125.db2.gz TVSUJCJXTBBOFB-UHFFFAOYSA-N 1 0 306.366 1.513 20 5 DDBDRO NC(=O)c1ccc(N2CC[C@H]([NH+]3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000609350843 360300710 /nfs/dbraw/zinc/30/07/10/360300710.db2.gz QCHWVEQRMJMWJY-ZDUSSCGKSA-N 1 0 318.377 1.758 20 5 DDBDRO CC(C)[NH+](CCN(C)C(=O)Nc1ccncc1[N+](=O)[O-])C(C)C ZINC000359021127 299308747 /nfs/dbraw/zinc/30/87/47/299308747.db2.gz TVHWYYMRHSTBLH-UHFFFAOYSA-N 1 0 323.397 1.994 20 5 DDBDRO CN(CCCC[NH+](C)C)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000610112130 360382958 /nfs/dbraw/zinc/38/29/58/360382958.db2.gz YESBRPSTWMTAQE-UHFFFAOYSA-N 1 0 319.365 1.885 20 5 DDBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])cn2C)C[C@@H]1C ZINC000610125849 360383939 /nfs/dbraw/zinc/38/39/39/360383939.db2.gz VDAQHTFAUZCQMM-NWDGAFQWSA-N 1 0 308.382 1.878 20 5 DDBDRO O=[N+]([O-])c1ccc(-c2nc(CN3C[C@@H]4C[NH2+]C[C@H]4C3)co2)cc1 ZINC000611170468 360644273 /nfs/dbraw/zinc/64/42/73/360644273.db2.gz MGOUAHDKYKVXRI-STQMWFEESA-N 1 0 314.345 1.901 20 5 DDBDRO [NH3+][C@@H]1CCC[C@@H](C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000237864929 283569017 /nfs/dbraw/zinc/56/90/17/283569017.db2.gz DADOURBCQPYPHA-TZMCWYRMSA-N 1 0 303.362 1.997 20 5 DDBDRO CC[N@@H+]1CCN(C(=O)COc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000611087608 360618364 /nfs/dbraw/zinc/61/83/64/360618364.db2.gz YAMJNRRRANMUFK-LBPRGKRZSA-N 1 0 307.350 1.526 20 5 DDBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3C[C@H](O)C[C@H](O)C3)o2)cc1 ZINC000611276774 360687605 /nfs/dbraw/zinc/68/76/05/360687605.db2.gz HUILXRGXHIPTLN-OKILXGFUSA-N 1 0 318.329 1.782 20 5 DDBDRO CC[C@@H](CO)[NH+]1CCN(c2nc(C)cc(C)c2[N+](=O)[O-])CC1 ZINC000611616838 360777022 /nfs/dbraw/zinc/77/70/22/360777022.db2.gz OCOHCHLYOTYNLO-ZDUSSCGKSA-N 1 0 308.382 1.500 20 5 DDBDRO C[C@@H]1COCCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000612104189 360920850 /nfs/dbraw/zinc/92/08/50/360920850.db2.gz QTMCVEQIGXTUJV-OLZOCXBDSA-N 1 0 310.350 1.445 20 5 DDBDRO O=[N+]([O-])c1cc(C[N@H+]2C[C@@H]3CC[C@@H](O)[C@H]3C2)c2c(c1)COCO2 ZINC000612134115 360929193 /nfs/dbraw/zinc/92/91/93/360929193.db2.gz GSJRKLHXOVSRQX-NZVBXONLSA-N 1 0 320.345 1.664 20 5 DDBDRO Cc1ccc(NCCCNC(=O)CC[C@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000193265610 201015650 /nfs/dbraw/zinc/01/56/50/201015650.db2.gz CFTCHCIGMGZQRT-LBPRGKRZSA-N 1 0 308.382 1.949 20 5 DDBDRO CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1N)C1CC[NH+](C)CC1 ZINC000194726043 201278765 /nfs/dbraw/zinc/27/87/65/201278765.db2.gz RKQBTVPURLAJTH-UHFFFAOYSA-N 1 0 310.329 1.482 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NCCCC[NH3+] ZINC000194745698 201283195 /nfs/dbraw/zinc/28/31/95/201283195.db2.gz UETJESROILYTRN-UHFFFAOYSA-N 1 0 301.368 1.229 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@](O)(C[NH+](C)C)C1 ZINC000618923643 363803558 /nfs/dbraw/zinc/80/35/58/363803558.db2.gz JLSXDGQBDUGBSD-INIZCTEOSA-N 1 0 321.377 1.432 20 5 DDBDRO C[C@@](O)(CO)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000619464251 364023672 /nfs/dbraw/zinc/02/36/72/364023672.db2.gz GWTRMIJEJRESFU-HNNXBMFYSA-N 1 0 306.318 1.688 20 5 DDBDRO NC(=O)c1csc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])c1 ZINC000348919266 283758654 /nfs/dbraw/zinc/75/86/54/283758654.db2.gz FCNRAYYXOQWBTR-UHFFFAOYSA-N 1 0 320.374 1.721 20 5 DDBDRO C[NH+](C)C1(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000275523002 212393106 /nfs/dbraw/zinc/39/31/06/212393106.db2.gz VUDABYBZECJMOY-UHFFFAOYSA-N 1 0 313.379 1.357 20 5 DDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000261801819 203120136 /nfs/dbraw/zinc/12/01/36/203120136.db2.gz MQDNRIWHLQTNLB-UHFFFAOYSA-N 1 0 304.350 1.393 20 5 DDBDRO [NH3+][C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)C[C@H]1c1ccccc1 ZINC000262263782 203244592 /nfs/dbraw/zinc/24/45/92/203244592.db2.gz RNIHMAWZUMQGBE-NWDGAFQWSA-N 1 0 301.302 1.755 20 5 DDBDRO O=C(NC1CC[NH2+]CC1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000262518234 203316551 /nfs/dbraw/zinc/31/65/51/203316551.db2.gz ULRCSGXPRDSYRS-UHFFFAOYSA-N 1 0 316.317 1.330 20 5 DDBDRO [NH3+]C[C@H]1CCCCN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000262547275 203326357 /nfs/dbraw/zinc/32/63/57/203326357.db2.gz NBBHVKXDNXAAOE-GFCCVEGCSA-N 1 0 307.350 1.704 20 5 DDBDRO COCC1(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000262572384 203334777 /nfs/dbraw/zinc/33/47/77/203334777.db2.gz XPMDYJRPXXZUEY-UHFFFAOYSA-N 1 0 307.350 1.858 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000264592885 204015147 /nfs/dbraw/zinc/01/51/47/204015147.db2.gz ANYJFTCOCQQRFU-LBPRGKRZSA-N 1 0 319.361 1.574 20 5 DDBDRO CC[N@H+](C)CCNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000264891089 204243103 /nfs/dbraw/zinc/24/31/03/204243103.db2.gz JTOKDMFWGCSYPG-UHFFFAOYSA-N 1 0 317.349 1.462 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C)Cn1cccn1 ZINC000265027655 204351134 /nfs/dbraw/zinc/35/11/34/204351134.db2.gz FWOFQUPWCSRDOK-LBPRGKRZSA-N 1 0 317.349 1.717 20 5 DDBDRO C[N@H+](CCCC(=O)NC(N)=O)CCc1cccc([N+](=O)[O-])c1 ZINC000282500316 217042378 /nfs/dbraw/zinc/04/23/78/217042378.db2.gz QUKUFLZIDCSMMK-UHFFFAOYSA-N 1 0 308.338 1.044 20 5 DDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000351478012 284331460 /nfs/dbraw/zinc/33/14/60/284331460.db2.gz OIQCYLRTANVBEA-PKIAMQTDSA-N 1 0 318.377 1.591 20 5 DDBDRO C[NH+](C)[C@H]1CCC[C@@H](Nc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000267254390 205929762 /nfs/dbraw/zinc/92/97/62/205929762.db2.gz IYDORAZLGDDFQY-NEPJUHHUSA-N 1 0 306.366 1.978 20 5 DDBDRO CS[C@H]1CN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C[C@H]1[NH+](C)C ZINC000270519541 248621269 /nfs/dbraw/zinc/62/12/69/248621269.db2.gz SPLVRQLCNQGSHG-OLZOCXBDSA-N 1 0 324.406 1.295 20 5 DDBDRO [NH3+]C[C@@H]1CN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)CCCO1 ZINC000313387682 248841486 /nfs/dbraw/zinc/84/14/86/248841486.db2.gz SKMXEKPICOZFOF-GEXIGZQTSA-N 1 0 305.334 1.184 20 5 DDBDRO CC(C)C[N@@H+]1CC[C@@H](CNc2ncc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000268188011 206528905 /nfs/dbraw/zinc/52/89/05/206528905.db2.gz DQSHJAHXMZOSKC-NSHDSACASA-N 1 0 321.381 1.479 20 5 DDBDRO C[C@@H](CO)[C@H](C)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000274125284 211377134 /nfs/dbraw/zinc/37/71/34/211377134.db2.gz XNRVQAJXJBXDSL-IUCAKERBSA-N 1 0 315.757 1.793 20 5 DDBDRO CC1(C)NC(=O)CC[C@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000338595168 250047880 /nfs/dbraw/zinc/04/78/80/250047880.db2.gz CDNSZIMJNPJLPG-CYBMUJFWSA-N 1 0 307.350 1.620 20 5 DDBDRO COc1ccc(CN2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000105824078 194137854 /nfs/dbraw/zinc/13/78/54/194137854.db2.gz MIWSTJFFHIUTGG-CHWSQXEVSA-N 1 0 323.393 1.490 20 5 DDBDRO COc1cc(N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)ccc1[N+](=O)[O-] ZINC000285209732 218334648 /nfs/dbraw/zinc/33/46/48/218334648.db2.gz WYZSXQOYXVBSFE-UONOGXRCSA-N 1 0 307.350 1.513 20 5 DDBDRO CCOC(=O)[C@](C)(O)C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285275868 218362560 /nfs/dbraw/zinc/36/25/60/218362560.db2.gz IZERAXCPRRCZLS-OAHLLOKOSA-N 1 0 310.350 1.383 20 5 DDBDRO Cc1c(Cl)cc(S(=O)(=O)N2CC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000050241901 183778434 /nfs/dbraw/zinc/77/84/34/183778434.db2.gz FIHWZIHFTCDESF-MRVPVSSYSA-N 1 0 319.770 1.278 20 5 DDBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000110993433 194379288 /nfs/dbraw/zinc/37/92/88/194379288.db2.gz KWNCOHGVIKBLFU-NSHDSACASA-N 1 0 309.370 1.241 20 5 DDBDRO CC[N@@H+]1CCCN(C(=O)NCCc2ccccc2[N+](=O)[O-])CC1 ZINC000269110788 207249850 /nfs/dbraw/zinc/24/98/50/207249850.db2.gz OYXWEMUEMYSZIL-UHFFFAOYSA-N 1 0 320.393 1.875 20 5 DDBDRO C[C@H]([NH3+])CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000063170850 184276206 /nfs/dbraw/zinc/27/62/06/184276206.db2.gz YCRQIURAYLNCQM-ZETCQYMHSA-N 1 0 307.759 1.264 20 5 DDBDRO C[C@]1(CNC(=O)COc2ccc([N+](=O)[O-])cc2)CCC[NH2+]C1 ZINC000273026313 210405763 /nfs/dbraw/zinc/40/57/63/210405763.db2.gz RFEPNBMLPIKSPU-HNNXBMFYSA-N 1 0 307.350 1.480 20 5 DDBDRO O=[N+]([O-])c1ccc(-c2noc(N3CC[C@@H]4C[NH2+]C[C@@H]4C3)n2)cc1 ZINC000420260370 285106909 /nfs/dbraw/zinc/10/69/09/285106909.db2.gz NPLSVZPCOYWNMG-VXGBXAGGSA-N 1 0 315.333 1.691 20 5 DDBDRO CCCc1n[nH]c(C(=O)N2CC[C@]3(CC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC000158701142 197295053 /nfs/dbraw/zinc/29/50/53/197295053.db2.gz MVIZKTMFILADPE-AWEZNQCLSA-N 1 0 307.354 1.096 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CCCO)CC2)c2cccnc21 ZINC000413102440 224135176 /nfs/dbraw/zinc/13/51/76/224135176.db2.gz KBXMANKWUQAUOX-UHFFFAOYSA-N 1 0 316.361 1.647 20 5 DDBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])[C@H]1CCN(C2CC2)C1=O ZINC000352551220 285134078 /nfs/dbraw/zinc/13/40/78/285134078.db2.gz WQEFYBODKWBOCY-HNNXBMFYSA-N 1 0 303.362 1.832 20 5 DDBDRO CN(C(=O)C[N@H+](C)[C@@H]1CCC[C@@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000352657373 285201064 /nfs/dbraw/zinc/20/10/64/285201064.db2.gz ACMSNRVTKOAGIH-KGLIPLIRSA-N 1 0 307.350 1.403 20 5 DDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)[C@H]1CCC[C@H]1O ZINC000352659457 285204088 /nfs/dbraw/zinc/20/40/88/285204088.db2.gz JQPMKXHCGYSHGD-DDTOSNHZSA-N 1 0 307.350 1.767 20 5 DDBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)[C@H]1CCC[C@@H]1O ZINC000352659752 285204214 /nfs/dbraw/zinc/20/42/14/285204214.db2.gz LDZFEUSGPDYADK-SWHYSGLUSA-N 1 0 307.350 1.767 20 5 DDBDRO C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000155456598 197056948 /nfs/dbraw/zinc/05/69/48/197056948.db2.gz VCMRCMOHSNFPHZ-TXEJJXNPSA-N 1 0 307.350 1.525 20 5 DDBDRO COC[C@]1(C(=O)OC)CC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000294978162 533216915 /nfs/dbraw/zinc/21/69/15/533216915.db2.gz GKHWKYHRBQJRFA-INIZCTEOSA-N 1 0 322.361 1.915 20 5 DDBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000289509046 221027792 /nfs/dbraw/zinc/02/77/92/221027792.db2.gz AFDVZLDJIPBGEQ-QWHCGFSZSA-N 1 0 319.361 1.432 20 5 DDBDRO Cn1cnc(CC[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000414130157 224302752 /nfs/dbraw/zinc/30/27/52/224302752.db2.gz WOOVTDOBDSNDOQ-KGLIPLIRSA-N 1 0 318.381 1.841 20 5 DDBDRO COC[C@@]1(CNC(=O)c2cc(F)ccc2[N+](=O)[O-])CCC[NH2+]1 ZINC000262444833 285324480 /nfs/dbraw/zinc/32/44/80/285324480.db2.gz HFCQZLUFEONBFE-AWEZNQCLSA-N 1 0 311.313 1.232 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NCCC[NH2+]C1CC1 ZINC000414658327 224369569 /nfs/dbraw/zinc/36/95/69/224369569.db2.gz QKYQOTFTDLLPAJ-UHFFFAOYSA-N 1 0 308.338 1.867 20 5 DDBDRO Cc1c(NC(=O)C(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000415448707 224595200 /nfs/dbraw/zinc/59/52/00/224595200.db2.gz JHNSCNSDEYXGEG-ONGXEEELSA-N 1 0 320.349 1.037 20 5 DDBDRO COc1cccc(C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)c1[N+](=O)[O-] ZINC000457364300 533402469 /nfs/dbraw/zinc/40/24/69/533402469.db2.gz AZCRKBFEZMDCBD-MNOVXSKESA-N 1 0 305.334 1.285 20 5 DDBDRO CO[C@@H]1C[C@@H]([N@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C12CCC2 ZINC000451836359 533530416 /nfs/dbraw/zinc/53/04/16/533530416.db2.gz BMXPNAAKLHINKJ-MGPQQGTHSA-N 1 0 324.381 1.042 20 5 DDBDRO Cc1[nH]nc(C(=O)N2C[C@@H]([NH3+])Cc3ccccc32)c1[N+](=O)[O-] ZINC000424073226 533663627 /nfs/dbraw/zinc/66/36/27/533663627.db2.gz HFMZPDKMTJFVNX-JTQLQIEISA-N 1 0 301.306 1.157 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]([NH3+])CCSC ZINC000353441095 285733897 /nfs/dbraw/zinc/73/38/97/285733897.db2.gz PBKWIEXELXZDLD-LLVKDONJSA-N 1 0 313.379 1.300 20 5 DDBDRO O=C(CCOc1ccccc1[N+](=O)[O-])NCC1CC[NH2+]CC1 ZINC000568989920 304327471 /nfs/dbraw/zinc/32/74/71/304327471.db2.gz ZXNQEFRTLDAVIG-UHFFFAOYSA-N 1 0 307.350 1.480 20 5 DDBDRO COC(=O)COc1ccc(C[NH2+][C@H]2CO[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000569845071 304382249 /nfs/dbraw/zinc/38/22/49/304382249.db2.gz MTNKSPBELRJTSX-CMPLNLGQSA-N 1 0 324.333 1.414 20 5 DDBDRO CC[N@H+](CCc1cccs1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266565691 407563795 /nfs/dbraw/zinc/56/37/95/407563795.db2.gz ZMTXVDMWURRXEI-CYBMUJFWSA-N 1 0 324.406 1.778 20 5 DDBDRO COC(=O)COc1ccc(CN2CCC([NH3+])CC2)cc1[N+](=O)[O-] ZINC000261652329 407569019 /nfs/dbraw/zinc/56/90/19/407569019.db2.gz BDLIQIMREVQNFV-UHFFFAOYSA-N 1 0 323.349 1.070 20 5 DDBDRO CC(C)[C@H](CO)C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000570396567 304409602 /nfs/dbraw/zinc/40/96/02/304409602.db2.gz LRRQZCVGGGDPEL-STQMWFEESA-N 1 0 312.366 1.189 20 5 DDBDRO COCC[N@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000070069288 406805590 /nfs/dbraw/zinc/80/55/90/406805590.db2.gz KDAYPIVAKDLDCM-UHFFFAOYSA-N 1 0 315.757 1.556 20 5 DDBDRO C[NH2+]CCN(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000070303851 406814147 /nfs/dbraw/zinc/81/41/47/406814147.db2.gz GKVGFQOYLIOVKQ-UHFFFAOYSA-N 1 0 307.759 1.088 20 5 DDBDRO O=C(c1ccccc1[N+](=O)[O-])N1CCN(c2cc[nH+]cc2)CC1 ZINC000024086365 406892785 /nfs/dbraw/zinc/89/27/85/406892785.db2.gz ZVWNKCFOVQPGQD-UHFFFAOYSA-N 1 0 312.329 1.952 20 5 DDBDRO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)C[NH+]1CCN(C)CC1 ZINC000074137813 406902408 /nfs/dbraw/zinc/90/24/08/406902408.db2.gz WCVPUIDYCJZLLB-CYBMUJFWSA-N 1 0 320.393 1.208 20 5 DDBDRO O=C(COc1ccccc1[N+](=O)[O-])NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000075848993 406943260 /nfs/dbraw/zinc/94/32/60/406943260.db2.gz KJGXXGOMSHIQDM-GFCCVEGCSA-N 1 0 319.361 1.574 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC1CC[NH2+]CC1 ZINC000044509095 407025487 /nfs/dbraw/zinc/02/54/87/407025487.db2.gz QZVVCQUGSAMWSI-UHFFFAOYSA-N 1 0 313.379 1.181 20 5 DDBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CC[NH2+]CC1 ZINC000053299543 407165958 /nfs/dbraw/zinc/16/59/58/407165958.db2.gz QNADXVMAVRIDTC-UHFFFAOYSA-N 1 0 313.741 1.449 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[NH+](CC(C)C)CC1 ZINC000054461623 407185292 /nfs/dbraw/zinc/18/52/92/407185292.db2.gz XZDKLRCJZFPARC-UHFFFAOYSA-N 1 0 306.366 1.712 20 5 DDBDRO CC(C)[N@H+](C)CCNC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000101976412 407318633 /nfs/dbraw/zinc/31/86/33/407318633.db2.gz SCGMSCJTRXNSNA-UHFFFAOYSA-N 1 0 323.397 1.646 20 5 DDBDRO C[NH+](C)C[C@H]1CCCCN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000066948523 407264761 /nfs/dbraw/zinc/26/47/61/407264761.db2.gz YPAJGKLHNJOLAM-CYBMUJFWSA-N 1 0 321.377 1.916 20 5 DDBDRO C[N@H+](CCc1ccccn1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000124344142 407355732 /nfs/dbraw/zinc/35/57/32/407355732.db2.gz ZSYGWMHLZREQSE-UHFFFAOYSA-N 1 0 314.345 1.763 20 5 DDBDRO CCC[NH+]1CCC(NC(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000124628111 407364277 /nfs/dbraw/zinc/36/42/77/407364277.db2.gz GPWVMZMDAZYOJO-UHFFFAOYSA-N 1 0 307.354 1.986 20 5 DDBDRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000108784680 407390523 /nfs/dbraw/zinc/39/05/23/407390523.db2.gz GIXPJSDPFCSXGQ-JTQLQIEISA-N 1 0 307.325 1.948 20 5 DDBDRO C[N@@H+]1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000125636432 407394013 /nfs/dbraw/zinc/39/40/13/407394013.db2.gz AHDPXVWDWSREPR-LLVKDONJSA-N 1 0 314.345 1.825 20 5 DDBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1[C@@H]2CC[C@H]1CC(O)C2 ZINC000111320756 407407388 /nfs/dbraw/zinc/40/73/88/407407388.db2.gz FRLBOFORXPRZPD-ZEIJEMSESA-N 1 0 319.361 1.910 20 5 DDBDRO CCCC[N@H+](C)CCNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000112310641 407425863 /nfs/dbraw/zinc/42/58/63/407425863.db2.gz KZUSVZCODFXAPH-UHFFFAOYSA-N 1 0 309.366 1.822 20 5 DDBDRO C[NH+](C)C[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000114210900 407554063 /nfs/dbraw/zinc/55/40/63/407554063.db2.gz MATKZNVPPALUEZ-LLVKDONJSA-N 1 0 313.379 1.167 20 5 DDBDRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000261669546 407575522 /nfs/dbraw/zinc/57/55/22/407575522.db2.gz GWUFGFSDXRFEPA-NWDGAFQWSA-N 1 0 306.366 1.593 20 5 DDBDRO C[C@@H]([NH3+])CCNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000178665086 407537698 /nfs/dbraw/zinc/53/76/98/407537698.db2.gz NYYAYMKLRXPMAM-SNVBAGLBSA-N 1 0 303.322 1.248 20 5 DDBDRO C[N@@H+]1CCC[C@H]1CNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000171192868 407623982 /nfs/dbraw/zinc/62/39/82/407623982.db2.gz XNCUOZIHKRVUMO-AWEZNQCLSA-N 1 0 306.366 1.531 20 5 DDBDRO COc1ccc(C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1[N+](=O)[O-] ZINC000261894074 407660303 /nfs/dbraw/zinc/66/03/03/407660303.db2.gz ODQCIVGTZKPTSK-XQQFMLRXSA-N 1 0 319.361 1.803 20 5 DDBDRO C[C@@H]1OCC[C@@]1(O)C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000227967153 407641887 /nfs/dbraw/zinc/64/18/87/407641887.db2.gz YPDSZAHGVXLCRD-TVQRCGJNSA-N 1 0 300.742 1.878 20 5 DDBDRO C[NH2+][C@@H]1CCCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000261858410 407643320 /nfs/dbraw/zinc/64/33/20/407643320.db2.gz YZEFSEOLEQEHHR-IUODEOHRSA-N 1 0 318.377 1.384 20 5 DDBDRO C[C@H]1C[NH2+]CCN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000261866357 407647396 /nfs/dbraw/zinc/64/73/96/407647396.db2.gz NZXIPBOIBBVKOK-JTQLQIEISA-N 1 0 303.322 1.439 20 5 DDBDRO CC(=O)N1CCN(CC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000266903040 407667623 /nfs/dbraw/zinc/66/76/23/407667623.db2.gz UPZBACYICVSAGX-ZDUSSCGKSA-N 1 0 320.393 1.410 20 5 DDBDRO COC[C@@]1(CNC(=O)c2ccc([N+](=O)[O-])c(OC)c2)CCC[NH2+]1 ZINC000261934438 407677979 /nfs/dbraw/zinc/67/79/79/407677979.db2.gz TUUAOIAJPMXVQT-HNNXBMFYSA-N 1 0 323.349 1.102 20 5 DDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000262311410 407794337 /nfs/dbraw/zinc/79/43/37/407794337.db2.gz CXPWHFJOITVYOG-HNNXBMFYSA-N 1 0 318.377 1.781 20 5 DDBDRO C[NH2+]C[C@H](C)CNS(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000237206767 407802354 /nfs/dbraw/zinc/80/23/54/407802354.db2.gz SXJCDHHSPQIUIB-VIFPVBQESA-N 1 0 315.395 1.345 20 5 DDBDRO COC[C@](C)([NH3+])CNc1ncc([N+](=O)[O-])cc1Br ZINC000267262123 407808924 /nfs/dbraw/zinc/80/89/24/407808924.db2.gz QGYOOSMZYMJDPN-SNVBAGLBSA-N 1 0 319.159 1.528 20 5 DDBDRO C[NH2+]CC1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000237323748 407812509 /nfs/dbraw/zinc/81/25/09/407812509.db2.gz OZTNBONWRPALNG-UHFFFAOYSA-N 1 0 305.378 1.985 20 5 DDBDRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000237986264 407863499 /nfs/dbraw/zinc/86/34/99/407863499.db2.gz UQVXBAKSZRMEHM-RNCFNFMXSA-N 1 0 322.321 1.750 20 5 DDBDRO COC[C@@H](O)C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000117946658 407871768 /nfs/dbraw/zinc/87/17/68/407871768.db2.gz RYQAXFFMPDCURG-JTQLQIEISA-N 1 0 306.265 1.293 20 5 DDBDRO CN(C(=O)CCNc1ccccc1[N+](=O)[O-])[C@@H]1CCC[N@H+](C)C1 ZINC000153721250 407886883 /nfs/dbraw/zinc/88/68/83/407886883.db2.gz CGXSTGQGPRJLKX-CYBMUJFWSA-N 1 0 320.393 1.949 20 5 DDBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000268102280 407888663 /nfs/dbraw/zinc/88/86/63/407888663.db2.gz FTHXKLZLDONKFT-SMDDNHRTSA-N 1 0 318.377 1.877 20 5 DDBDRO O=C(N[C@@H]1CCC[NH2+]C1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000238123163 407892620 /nfs/dbraw/zinc/89/26/20/407892620.db2.gz FDHXDBIUUMYJHH-CYBMUJFWSA-N 1 0 318.377 1.677 20 5 DDBDRO CC(=O)NC[C@H]1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000153784972 407901541 /nfs/dbraw/zinc/90/15/41/407901541.db2.gz WDIVRPSSFFXETD-CJNGLKHVSA-N 1 0 321.377 1.476 20 5 DDBDRO COc1cc(C(=O)N[C@H]2CC[NH2+]C[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000262700104 407904932 /nfs/dbraw/zinc/90/49/32/407904932.db2.gz AONNUUCDFOBRPB-ONGXEEELSA-N 1 0 323.349 1.340 20 5 DDBDRO [NH3+]C[C@@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000237846802 407845137 /nfs/dbraw/zinc/84/51/37/407845137.db2.gz BEHMREUURYFFPB-JTQLQIEISA-N 1 0 308.294 1.456 20 5 DDBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000268216215 407952670 /nfs/dbraw/zinc/95/26/70/407952670.db2.gz PNXGBLYEUFLPCL-CABZTGNLSA-N 1 0 304.350 1.390 20 5 DDBDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000181088079 407956450 /nfs/dbraw/zinc/95/64/50/407956450.db2.gz FZSSOMMVODAKNJ-NSHDSACASA-N 1 0 306.366 1.591 20 5 DDBDRO C[C@H]1C[C@@H](NC(=O)CN(C)c2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000262922868 407972776 /nfs/dbraw/zinc/97/27/76/407972776.db2.gz RYAGIEBUNRFJAP-RYUDHWBXSA-N 1 0 306.366 1.288 20 5 DDBDRO Cc1nc(N(C)CCCN2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000268481278 408065279 /nfs/dbraw/zinc/06/52/79/408065279.db2.gz LMWGSFKAIPHUBV-UHFFFAOYSA-N 1 0 307.398 1.372 20 5 DDBDRO C[C@H](NC(=O)N[C@@H]1C[NH2+]CC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000417143169 533677809 /nfs/dbraw/zinc/67/78/09/533677809.db2.gz UNBFPXQGSBSJLK-UHIISALHSA-N 1 0 306.366 1.953 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000154862857 408099657 /nfs/dbraw/zinc/09/96/57/408099657.db2.gz MPIRBIBVYGPGJR-CHWSQXEVSA-N 1 0 321.381 1.042 20 5 DDBDRO C[C@H]1CCC[N@@H+]1C1CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000154941780 408105292 /nfs/dbraw/zinc/10/52/92/408105292.db2.gz RLCPDYHMTWFYJD-JTQLQIEISA-N 1 0 306.370 1.420 20 5 DDBDRO Cc1nn(C)c(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000155070656 408120916 /nfs/dbraw/zinc/12/09/16/408120916.db2.gz YGYLVYSKHCQUPR-SNVBAGLBSA-N 1 0 311.386 1.343 20 5 DDBDRO C[C@H]([NH2+]C[C@H](O)COC[C@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000246015758 408121699 /nfs/dbraw/zinc/12/16/99/408121699.db2.gz IXBLNTIZCAZINJ-VBNZEHGJSA-N 1 0 324.377 1.802 20 5 DDBDRO C[NH2+]CCN(C)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000120657534 408139963 /nfs/dbraw/zinc/13/99/63/408139963.db2.gz KPVMGRVQNFDYDE-UHFFFAOYSA-N 1 0 323.396 1.833 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[N@@H+](CCCO)Cc2ccccc2)n1 ZINC000269013150 408225187 /nfs/dbraw/zinc/22/51/87/408225187.db2.gz VWPKFBPWJLFDLX-UHFFFAOYSA-N 1 0 304.350 1.676 20 5 DDBDRO CC(C)C[C@@](C)(C[NH3+])NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000155893139 408225178 /nfs/dbraw/zinc/22/51/78/408225178.db2.gz HWDZCCHUZCPUFJ-ZDUSSCGKSA-N 1 0 315.395 1.637 20 5 DDBDRO O=C(Cn1cc([N+](=O)[O-])cn1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000263898308 408307643 /nfs/dbraw/zinc/30/76/43/408307643.db2.gz BHORYFKNRWYQGY-ZDUSSCGKSA-N 1 0 321.381 1.268 20 5 DDBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](CCCn3ccnc3)C2)nc1 ZINC000183190417 408348083 /nfs/dbraw/zinc/34/80/83/408348083.db2.gz MLOLLJIUQJUKTM-ZDUSSCGKSA-N 1 0 316.365 1.763 20 5 DDBDRO CC1CC[NH+](CC(=O)NCCNc2ccccc2[N+](=O)[O-])CC1 ZINC000136081052 162115047 /nfs/dbraw/zinc/11/50/47/162115047.db2.gz MIBXXPXUKZEKFQ-UHFFFAOYSA-N 1 0 320.393 1.855 20 5 DDBDRO COc1cc(C(=O)N2CC[C@H]([NH+](C)C)C2)cc([N+](=O)[O-])c1C ZINC000191183541 408384189 /nfs/dbraw/zinc/38/41/89/408384189.db2.gz DHIBKCBNWNOKMM-LBPRGKRZSA-N 1 0 307.350 1.688 20 5 DDBDRO COCCN(CC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000264192917 408396106 /nfs/dbraw/zinc/39/61/06/408396106.db2.gz PDWRMYLREXBBSM-UHFFFAOYSA-N 1 0 301.368 1.307 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCC[N@@H+](C)C1CCCC1 ZINC000264221940 408409986 /nfs/dbraw/zinc/40/99/86/408409986.db2.gz WBSAVOJOGJDVHI-UHFFFAOYSA-N 1 0 323.397 1.480 20 5 DDBDRO CCC1(CC)[C@H]([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)C[C@H]1OC ZINC000191369365 408415935 /nfs/dbraw/zinc/41/59/35/408415935.db2.gz DWCQPFVBLLHUGS-ZIAGYGMSSA-N 1 0 323.393 1.940 20 5 DDBDRO Cc1nc(N[C@H](C)CC[NH+]2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000274526597 408439029 /nfs/dbraw/zinc/43/90/29/408439029.db2.gz XUQOYQFZNHZADF-GFCCVEGCSA-N 1 0 307.398 1.736 20 5 DDBDRO CCOC(=O)[C@@](C)(O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000274667560 408488505 /nfs/dbraw/zinc/48/85/05/408488505.db2.gz RPJRIBKTIRXOBK-INIZCTEOSA-N 1 0 322.361 1.873 20 5 DDBDRO C[NH2+][C@H]1CCN(C(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)C1 ZINC000160554627 408495260 /nfs/dbraw/zinc/49/52/60/408495260.db2.gz QOMPIPUBVWBILL-MNOVXSKESA-N 1 0 309.391 1.896 20 5 DDBDRO C[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C[C@H]1n1ccnc1 ZINC000247658923 408501012 /nfs/dbraw/zinc/50/10/12/408501012.db2.gz XHRZIOTYENHYSJ-TZMCWYRMSA-N 1 0 304.354 1.571 20 5 DDBDRO C[C@@H](O)C[N@@H+]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000192029884 408531764 /nfs/dbraw/zinc/53/17/64/408531764.db2.gz AHOPVGYJAVIQDY-NWDGAFQWSA-N 1 0 322.365 1.514 20 5 DDBDRO CNC(=O)c1ccc(N(C)C[C@@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC000265186487 408574044 /nfs/dbraw/zinc/57/40/44/408574044.db2.gz GFRZAMPCXJTVIL-GFCCVEGCSA-N 1 0 320.393 1.732 20 5 DDBDRO C[C@H]1C[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCCO1 ZINC000248479641 408576653 /nfs/dbraw/zinc/57/66/53/408576653.db2.gz ZXVGBDRWWXNVCC-QWHCGFSZSA-N 1 0 310.350 1.445 20 5 DDBDRO C[N@H+]1C[C@H]2CN(C(=O)CNc3ccccc3[N+](=O)[O-])C[C@H]2C1 ZINC000192465094 408592235 /nfs/dbraw/zinc/59/22/35/408592235.db2.gz BALWFRZQXHDMPY-TXEJJXNPSA-N 1 0 304.350 1.027 20 5 DDBDRO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1[nH]ncc1[N+](=O)[O-] ZINC000270619763 408606815 /nfs/dbraw/zinc/60/68/15/408606815.db2.gz RGNMKUUFYGAAKQ-GFCCVEGCSA-N 1 0 315.333 1.322 20 5 DDBDRO C[C@@H]1CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000270659813 408622967 /nfs/dbraw/zinc/62/29/67/408622967.db2.gz OPHCNSQWRNMGNQ-YGRLFVJLSA-N 1 0 306.366 1.076 20 5 DDBDRO C[C@H](c1cccnc1)[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000270680738 408634084 /nfs/dbraw/zinc/63/40/84/408634084.db2.gz UPNOSDPQCLECKZ-BXUZGUMPSA-N 1 0 305.338 1.240 20 5 DDBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+](CCO)C1CCOCC1 ZINC000275669594 408640616 /nfs/dbraw/zinc/64/06/16/408640616.db2.gz YXXJMQBYGYLJPI-UHFFFAOYSA-N 1 0 310.350 1.447 20 5 DDBDRO O=C(c1n[nH]cc1[N+](=O)[O-])N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000162670567 408725685 /nfs/dbraw/zinc/72/56/85/408725685.db2.gz WGGAEJYSPPVETO-JQWIXIFHSA-N 1 0 319.365 1.407 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000184971638 408727052 /nfs/dbraw/zinc/72/70/52/408727052.db2.gz RQRWALTXQOLHDT-ZLKJLUDKSA-N 1 0 318.377 1.470 20 5 DDBDRO C[C@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@@H]1CCOC1 ZINC000162742253 408731001 /nfs/dbraw/zinc/73/10/01/408731001.db2.gz PGFDIWIJGNGDGN-WCQYABFASA-N 1 0 319.361 1.499 20 5 DDBDRO CCCC[C@@H](C[NH3+])NC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000162790368 408735263 /nfs/dbraw/zinc/73/52/63/408735263.db2.gz FLUDVFAAPMNJAS-NSHDSACASA-N 1 0 308.382 1.908 20 5 DDBDRO O=C(NCCC[NH+]1CCC(O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000265534468 408685887 /nfs/dbraw/zinc/68/58/87/408685887.db2.gz WDEKESZXVFVHCR-UHFFFAOYSA-N 1 0 307.350 1.171 20 5 DDBDRO CO[C@@H]1C[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC[C@@H]1C ZINC000251655664 408784198 /nfs/dbraw/zinc/78/41/98/408784198.db2.gz HTRFWMIFWMOBLC-WOSRLPQWSA-N 1 0 324.377 1.691 20 5 DDBDRO CC[C@@H]1CN(c2nc(C)ccc2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000178213379 408788424 /nfs/dbraw/zinc/78/84/24/408788424.db2.gz RFGNERWACTXVDD-CYBMUJFWSA-N 1 0 308.382 1.845 20 5 DDBDRO C[C@H]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000163748650 408788761 /nfs/dbraw/zinc/78/87/61/408788761.db2.gz GDOXYHFJIFJLGZ-QWRGUYRKSA-N 1 0 313.379 1.200 20 5 DDBDRO [NH3+][C@H]1CC[C@@H]2CN(C(=O)COc3cccc([N+](=O)[O-])c3)C[C@@H]12 ZINC000185067896 408750603 /nfs/dbraw/zinc/75/06/03/408750603.db2.gz SKBVMJARGUXAIV-HONMWMINSA-N 1 0 305.334 1.169 20 5 DDBDRO COc1ccc(CNC(=O)CC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000291497014 408875318 /nfs/dbraw/zinc/87/53/18/408875318.db2.gz OQYRWNIRJRZGEH-UHFFFAOYSA-N 1 0 321.377 1.952 20 5 DDBDRO CCCN(CCC[NH+](C)C)C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000276255808 408827776 /nfs/dbraw/zinc/82/77/76/408827776.db2.gz RAVOLSZRKVIKRX-UHFFFAOYSA-N 1 0 311.386 1.372 20 5 DDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N(C)CCCO ZINC000281622744 408898488 /nfs/dbraw/zinc/89/84/88/408898488.db2.gz HRCOTUPBEBKQTN-SECBINFHSA-N 1 0 315.757 1.889 20 5 DDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000187342904 163014924 /nfs/dbraw/zinc/01/49/24/163014924.db2.gz IGOJBZONZAGJIC-UHFFFAOYSA-N 1 0 318.377 1.877 20 5 DDBDRO O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188874721 163074235 /nfs/dbraw/zinc/07/42/35/163074235.db2.gz YEVDQGVBWRKRQW-JOYOIKCWSA-N 1 0 319.296 1.623 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)N2CCC[C@H]([NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000277404969 408934669 /nfs/dbraw/zinc/93/46/69/408934669.db2.gz YRPYSVOXOZWZGE-NSHDSACASA-N 1 0 323.397 1.998 20 5 DDBDRO CN(CC(=O)N1CCCC[C@@H]1CC[NH3+])c1ccccc1[N+](=O)[O-] ZINC000286266183 408952082 /nfs/dbraw/zinc/95/20/82/408952082.db2.gz VTPMXIRLHJJJGW-CYBMUJFWSA-N 1 0 320.393 1.761 20 5 DDBDRO O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000277630161 408980934 /nfs/dbraw/zinc/98/09/34/408980934.db2.gz XBWGFHDDCWGJRS-LBPRGKRZSA-N 1 0 320.349 1.442 20 5 DDBDRO CC[C@H](C)[N@H+](CCO)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000287310708 409017300 /nfs/dbraw/zinc/01/73/00/409017300.db2.gz JKGPJECJYBQGSE-JSGCOSHPSA-N 1 0 312.366 1.427 20 5 DDBDRO CCc1n[nH]c(C(=O)N[C@H]2CCC[N@@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000277895381 409030099 /nfs/dbraw/zinc/03/00/99/409030099.db2.gz GDRCOEPNCLMJOQ-JTQLQIEISA-N 1 0 309.370 1.483 20 5 DDBDRO CC(C)[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)C1(CO)CCC1 ZINC000293233526 409072380 /nfs/dbraw/zinc/07/23/80/409072380.db2.gz YOKHIGZMBONURA-HNNXBMFYSA-N 1 0 323.393 1.533 20 5 DDBDRO Cc1n[nH]c(C(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)c1[N+](=O)[O-] ZINC000294082095 409237419 /nfs/dbraw/zinc/23/74/19/409237419.db2.gz JTDZTCLQKWGBDA-CQSZACIVSA-N 1 0 307.354 1.184 20 5 DDBDRO CO[C@]1(C)CCC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000279391110 409205092 /nfs/dbraw/zinc/20/50/92/409205092.db2.gz UHCKQMIWIBKABR-CZUORRHYSA-N 1 0 324.377 1.835 20 5 DDBDRO CN(C)CC[N@H+](C)CCCN(C)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000290053770 409292637 /nfs/dbraw/zinc/29/26/37/409292637.db2.gz IFZXNLOWMDOABJ-UHFFFAOYSA-N 1 0 312.370 1.143 20 5 DDBDRO Cc1c(C[N@@H+](C)[C@@H]2CCN3CCO[C@H]2C3)cccc1[N+](=O)[O-] ZINC000295056427 409311118 /nfs/dbraw/zinc/31/11/18/409311118.db2.gz AZFQBNRVCAZILP-CVEARBPZSA-N 1 0 305.378 1.808 20 5 DDBDRO COc1cc(C(=O)N2CC[C@H]([NH3+])[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000262480861 163835201 /nfs/dbraw/zinc/83/52/01/163835201.db2.gz JXTAJBUSAKWRCT-WPRPVWTQSA-N 1 0 309.322 1.174 20 5 DDBDRO C[C@H]([N@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C(C)(C)O ZINC000295148818 409345103 /nfs/dbraw/zinc/34/51/03/409345103.db2.gz LUOYGPBOOBDDFG-NSHDSACASA-N 1 0 321.377 1.575 20 5 DDBDRO Cc1c(CC(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000290292301 409350089 /nfs/dbraw/zinc/35/00/89/409350089.db2.gz DILMRYPIDCXLND-UONOGXRCSA-N 1 0 303.362 1.514 20 5 DDBDRO C[C@]1(C(N)=O)CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000280684772 409408551 /nfs/dbraw/zinc/40/85/51/409408551.db2.gz HALQIVSWMVINKV-HNNXBMFYSA-N 1 0 320.349 1.121 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2CC[N@H+](C)[C@@H](C)C2)n1 ZINC000319187107 164035147 /nfs/dbraw/zinc/03/51/47/164035147.db2.gz OSBAEQIEXGKSQB-UWVGGRQHSA-N 1 0 308.338 1.671 20 5 DDBDRO CNc1c(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cccc1[N+](=O)[O-] ZINC000321723616 164045096 /nfs/dbraw/zinc/04/50/96/164045096.db2.gz ZXTUUSQAZQLYMG-OLZOCXBDSA-N 1 0 318.377 1.993 20 5 DDBDRO C[NH+](C)CCN(C(=O)CCNc1ccccc1[N+](=O)[O-])C1CC1 ZINC000356878448 164135609 /nfs/dbraw/zinc/13/56/09/164135609.db2.gz HAJZSXYIMBGAHV-UHFFFAOYSA-N 1 0 320.393 1.949 20 5 DDBDRO C[C@@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@H](C)[NH3+] ZINC000420450058 287043618 /nfs/dbraw/zinc/04/36/18/287043618.db2.gz XZMJJAJLIZMBDC-NKWVEPMBSA-N 1 0 307.759 1.262 20 5 DDBDRO C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3csc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000285592923 409502119 /nfs/dbraw/zinc/50/21/19/409502119.db2.gz CALDFNMWFSPXNF-MNOVXSKESA-N 1 0 311.363 1.201 20 5 DDBDRO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000356843276 409656433 /nfs/dbraw/zinc/65/64/33/409656433.db2.gz GIBLQKDZLQTATP-STQMWFEESA-N 1 0 320.393 1.582 20 5 DDBDRO CO[C@@]1(C)CCC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000331596387 409673936 /nfs/dbraw/zinc/67/39/36/409673936.db2.gz UCNSFDSJZCGBFG-KBPBESRZSA-N 1 0 312.370 1.043 20 5 DDBDRO COC[C@](C)([NH3+])CNc1ccc(CC(=O)OC)cc1[N+](=O)[O-] ZINC000297057817 409781597 /nfs/dbraw/zinc/78/15/97/409781597.db2.gz ITBGBDGWTWNIAU-CQSZACIVSA-N 1 0 311.338 1.086 20 5 DDBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2c([N+](=O)[O-])c(C)nn2C)C[C@H]1C ZINC000354405383 409833627 /nfs/dbraw/zinc/83/36/27/409833627.db2.gz UQPXDKDFALEWRQ-PWSUYJOCSA-N 1 0 323.397 1.582 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357084924 409855721 /nfs/dbraw/zinc/85/57/21/409855721.db2.gz KHGQJBHBCNYBAH-OLZOCXBDSA-N 1 0 318.377 1.383 20 5 DDBDRO C[C@H]([NH2+][C@@H]1CCCN(C)[C@H]1C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000342737005 409860037 /nfs/dbraw/zinc/86/00/37/409860037.db2.gz NQNDZCHSFPLJQU-SLEUVZQESA-N 1 0 320.393 1.994 20 5 DDBDRO C[C@H]([NH2+][C@@H]1CCCN(C)[C@@H]1C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000342737006 409862125 /nfs/dbraw/zinc/86/21/25/409862125.db2.gz NQNDZCHSFPLJQU-YWPYICTPSA-N 1 0 320.393 1.994 20 5 DDBDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)c2nn(C)cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000346254950 409878458 /nfs/dbraw/zinc/87/84/58/409878458.db2.gz HSTLVKNXIPQTTC-TUAOUCFPSA-N 1 0 321.381 1.131 20 5 DDBDRO CCNC(=O)NC(=O)[C@H](C)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000338375371 409947621 /nfs/dbraw/zinc/94/76/21/409947621.db2.gz DNVWEMITDVKVIL-NSHDSACASA-N 1 0 322.365 1.303 20 5 DDBDRO Cc1ccc(NC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000354669443 410005240 /nfs/dbraw/zinc/00/52/40/410005240.db2.gz IDHCEOUTXXFDJA-GFCCVEGCSA-N 1 0 320.349 1.100 20 5 DDBDRO CSC1(CNc2c([N+](=O)[O-])c(C)nn2C)CC[NH+](C)CC1 ZINC000357561965 410104282 /nfs/dbraw/zinc/10/42/82/410104282.db2.gz FFPMKSARRHHJDZ-UHFFFAOYSA-N 1 0 313.427 1.876 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N(C)CC[NH+](C)C ZINC000298637802 410324622 /nfs/dbraw/zinc/32/46/22/410324622.db2.gz PMBUQFJNCMPUHN-UHFFFAOYSA-N 1 0 322.365 1.170 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@H](C)[NH+](C)[C@@H](C)C1 ZINC000339624360 410338148 /nfs/dbraw/zinc/33/81/48/410338148.db2.gz ZRQMWHDQKVXXOJ-STQMWFEESA-N 1 0 320.393 1.866 20 5 DDBDRO CN(C(=O)Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000347010716 410308376 /nfs/dbraw/zinc/30/83/76/410308376.db2.gz HIHHMBGAUOULKK-OAHLLOKOSA-N 1 0 303.362 1.832 20 5 DDBDRO C[C@@H](CNC(=O)c1c([N+](=O)[O-])cnn1C)[N@@H+]1CCCC[C@H]1C ZINC000347012136 410312906 /nfs/dbraw/zinc/31/29/06/410312906.db2.gz LSJBRUAPOIIYCR-MNOVXSKESA-N 1 0 309.370 1.321 20 5 DDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CCC[N@H+](C)[C@@H]1C ZINC000343457053 410468817 /nfs/dbraw/zinc/46/88/17/410468817.db2.gz KOYBYCNWNJOCKQ-ZWNOBZJWSA-N 1 0 306.366 1.849 20 5 DDBDRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000355373638 410475728 /nfs/dbraw/zinc/47/57/28/410475728.db2.gz ULJOLMVAHWISJQ-HUUCEWRRSA-N 1 0 319.361 1.530 20 5 DDBDRO C[C@@H]1[C@@H](NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CCC[N@@H+]1C ZINC000343427197 410442308 /nfs/dbraw/zinc/44/23/08/410442308.db2.gz 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COCCCOCC[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000271632754 209078240 /nfs/dbraw/zinc/07/82/40/209078240.db2.gz YPMUVNQYGZSAGN-UHFFFAOYSA-N 1 0 312.366 1.959 20 5 DDBDRO Cc1c(Cl)cc(S(=O)(=O)NCC(C)(C)[NH3+])cc1[N+](=O)[O-] ZINC000133264455 196325956 /nfs/dbraw/zinc/32/59/56/196325956.db2.gz ONBHCFDQVXAZDV-UHFFFAOYSA-N 1 0 321.786 1.572 20 5 DDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000295588615 225020802 /nfs/dbraw/zinc/02/08/02/225020802.db2.gz WGGFSCYTSDHNAM-CQSZACIVSA-N 1 0 321.377 1.100 20 5 DDBDRO [NH3+]C[C@H]1CN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)CCCO1 ZINC000420270913 226450213 /nfs/dbraw/zinc/45/02/13/226450213.db2.gz ASPUZIUPFRFDRR-LBPRGKRZSA-N 1 0 319.321 1.199 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000373929379 418474997 /nfs/dbraw/zinc/47/49/97/418474997.db2.gz OJIZHBWNPJVSBB-GXTWGEPZSA-N 1 0 319.361 1.717 20 5 DDBDRO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000374836179 418567984 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418793928 /nfs/dbraw/zinc/79/39/28/418793928.db2.gz TVUPZUQCDXLGGN-MRXNPFEDSA-N 1 0 321.377 1.792 20 5 DDBDRO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@H]2CO)c([N+](=O)[O-])c1 ZINC000411233345 418883327 /nfs/dbraw/zinc/88/33/27/418883327.db2.gz CABWOBLFUNAHPE-NSHDSACASA-N 1 0 323.349 1.389 20 5 DDBDRO CC(C)[C@@](C)([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000411729135 419390743 /nfs/dbraw/zinc/39/07/43/419390743.db2.gz UVCJWVLBVFCCJM-OAHLLOKOSA-N 1 0 322.365 1.413 20 5 DDBDRO Cc1c(CNC(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000418084017 419520744 /nfs/dbraw/zinc/52/07/44/419520744.db2.gz UIJGBFFTMCKOAJ-GXFFZTMASA-N 1 0 306.366 1.700 20 5 DDBDRO COc1cc(C[NH2+][C@@H](CO)[C@H]2CCCOC2)ccc1[N+](=O)[O-] ZINC000411983259 419543263 /nfs/dbraw/zinc/54/32/63/419543263.db2.gz FNJLTWVYIWAPBZ-STQMWFEESA-N 1 0 310.350 1.481 20 5 DDBDRO CCOc1cc(C[NH2+][C@@H](CO)[C@@H]2CCCOC2)ccc1[N+](=O)[O-] ZINC000411993363 419551655 /nfs/dbraw/zinc/55/16/55/419551655.db2.gz ZAQUAJJIIIDPTO-KGLIPLIRSA-N 1 0 324.377 1.871 20 5 DDBDRO CN(C)C(=O)[C@@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000411935956 419502656 /nfs/dbraw/zinc/50/26/56/419502656.db2.gz LHEFNKSCPDQNGN-GFCCVEGCSA-N 1 0 307.350 1.384 20 5 DDBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000421699028 419683723 /nfs/dbraw/zinc/68/37/23/419683723.db2.gz ABSJOZTUKWHEMM-ZDUSSCGKSA-N 1 0 307.350 1.526 20 5 DDBDRO C[NH+](C)C1CCC(NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000422011625 419805714 /nfs/dbraw/zinc/80/57/14/419805714.db2.gz VFJZLEBMZCQZIK-UHFFFAOYSA-N 1 0 308.338 1.298 20 5 DDBDRO [NH3+]C[C@H](NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)C1CC1 ZINC000418461937 419815971 /nfs/dbraw/zinc/81/59/71/419815971.db2.gz LAHNHNKHKDOUGV-AWEZNQCLSA-N 1 0 304.350 1.400 20 5 DDBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000414884734 419858644 /nfs/dbraw/zinc/85/86/44/419858644.db2.gz FZHOVYGFGKOITK-QMTHXVAHSA-N 1 0 306.366 1.639 20 5 DDBDRO COc1ccc(NC(=O)NCC[N@H+]2CC=CCC2)cc1[N+](=O)[O-] ZINC000432431803 229103597 /nfs/dbraw/zinc/10/35/97/229103597.db2.gz DWGXSXHPNQERFM-UHFFFAOYSA-N 1 0 320.349 1.987 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000299504319 229162589 /nfs/dbraw/zinc/16/25/89/229162589.db2.gz LMZDZFUBGKDLBD-LBPRGKRZSA-N 1 0 323.397 1.480 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H](C[NH3+])C[C@H]2C)c1 ZINC000423461597 420055307 /nfs/dbraw/zinc/05/53/07/420055307.db2.gz JVNUKZDWWGTRTD-MNOVXSKESA-N 1 0 307.350 1.803 20 5 DDBDRO CC[NH2+][C@H](C)CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000423606090 420096064 /nfs/dbraw/zinc/09/60/64/420096064.db2.gz KPWWRUNNKPUNKF-SNVBAGLBSA-N 1 0 302.334 1.871 20 5 DDBDRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000415457250 420074866 /nfs/dbraw/zinc/07/48/66/420074866.db2.gz XIUMATPSSOHHQM-GHMZBOCLSA-N 1 0 320.349 1.119 20 5 DDBDRO CC[NH2+][C@H](C)CNC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000423590101 420091036 /nfs/dbraw/zinc/09/10/36/420091036.db2.gz DJBAJBPTKWBIGX-SECBINFHSA-N 1 0 309.322 1.109 20 5 DDBDRO [NH3+]C[C@H](NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000415825338 420192243 /nfs/dbraw/zinc/19/22/43/420192243.db2.gz ZHZGSZKSCBXMJY-ZDUSSCGKSA-N 1 0 320.349 1.167 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000430920881 420206290 /nfs/dbraw/zinc/20/62/90/420206290.db2.gz QTDHAGXQUKMVOW-WCQYABFASA-N 1 0 306.366 1.511 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CCC[NH2+]CC1 ZINC000430924221 420206327 /nfs/dbraw/zinc/20/63/27/420206327.db2.gz IITPOVXIAXMXFQ-LLVKDONJSA-N 1 0 322.365 1.226 20 5 DDBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430939900 420214313 /nfs/dbraw/zinc/21/43/13/420214313.db2.gz MUPRRTFZPZERRG-SUNKGSAMSA-N 1 0 306.366 1.591 20 5 DDBDRO CC(C)[C@H](C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[C@@H](C)[NH3+] ZINC000423724176 420143635 /nfs/dbraw/zinc/14/36/35/420143635.db2.gz MHEQNWOHNSEKNN-PELKAZGASA-N 1 0 305.338 2.029 20 5 DDBDRO COc1ccc(NC(=O)[C@@]23CCC[C@@H]2C[NH2+]C3)cc1[N+](=O)[O-] ZINC000423725264 420144973 /nfs/dbraw/zinc/14/49/73/420144973.db2.gz OGNNPNUATVSEAH-MEBBXXQBSA-N 1 0 305.334 1.932 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000430590731 420149397 /nfs/dbraw/zinc/14/93/97/420149397.db2.gz LWJLZORFQVYOLF-DOMZBBRYSA-N 1 0 320.393 1.901 20 5 DDBDRO CC[C@@H]([NH3+])CNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000415791205 420178089 /nfs/dbraw/zinc/17/80/89/420178089.db2.gz RGGHEASZXZIQQF-SSDOTTSWSA-N 1 0 314.729 1.040 20 5 DDBDRO CC1(C)CCC[NH2+][C@H]1CNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000430710220 420182399 /nfs/dbraw/zinc/18/23/99/420182399.db2.gz RMEDMOYMIUWPDN-AWEZNQCLSA-N 1 0 321.377 1.868 20 5 DDBDRO C[C@H](N[C@@H]1[C@@H](C)CC[NH2+][C@H]1C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000420363791 420237920 /nfs/dbraw/zinc/23/79/20/420237920.db2.gz JUBSTICJFLLSIG-JUFZMCDQSA-N 1 0 320.393 1.898 20 5 DDBDRO C[NH2+]CCN(C)CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000420338803 420220171 /nfs/dbraw/zinc/22/01/71/420220171.db2.gz PBQVIZCIBBBVPH-UHFFFAOYSA-N 1 0 308.338 1.044 20 5 DDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]([NH3+])CC ZINC000420472276 420306514 /nfs/dbraw/zinc/30/65/14/420306514.db2.gz SEOLLDZLDGQTER-SNVBAGLBSA-N 1 0 301.368 1.173 20 5 DDBDRO NC(=O)c1cccc([N+](=O)[O-])c1NCC[NH+]1CCCCCC1 ZINC000420579193 420321168 /nfs/dbraw/zinc/32/11/68/420321168.db2.gz ASWMDXTXHQRSEN-UHFFFAOYSA-N 1 0 306.366 1.982 20 5 DDBDRO C[NH+](C)CC(C)(C)NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000416507141 420401353 /nfs/dbraw/zinc/40/13/53/420401353.db2.gz JHTYYCAZNXIDJO-UHFFFAOYSA-N 1 0 301.368 1.213 20 5 DDBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CC[C@@H](c3nnc[nH]3)C2)cc1 ZINC000425549782 420416526 /nfs/dbraw/zinc/41/65/26/420416526.db2.gz ODALTHWXPCWRDP-LLVKDONJSA-N 1 0 303.322 1.581 20 5 DDBDRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000285886600 287633213 /nfs/dbraw/zinc/63/32/13/287633213.db2.gz CFUHBZRANWRYOX-UEKVPHQBSA-N 1 0 307.350 1.476 20 5 DDBDRO COCc1cc([N+](=O)[O-])ccc1N1CC[NH+](C[C@H](C)O)CC1 ZINC000302405969 230234556 /nfs/dbraw/zinc/23/45/56/230234556.db2.gz KRKJZHSPNNCZOV-LBPRGKRZSA-N 1 0 309.366 1.244 20 5 DDBDRO Cc1nn(C)c(NCCN2CC[N@H+](C)C(C)(C)C2)c1[N+](=O)[O-] ZINC000440681135 420596214 /nfs/dbraw/zinc/59/62/14/420596214.db2.gz ZJVCYOLEEDUNDZ-UHFFFAOYSA-N 1 0 310.402 1.075 20 5 DDBDRO C[C@H](CO)N(Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C[C@H](C)O ZINC000444686813 420759843 /nfs/dbraw/zinc/75/98/43/420759843.db2.gz UEMOKZFSLIMOIA-ZJUUUORDSA-N 1 0 308.338 1.035 20 5 DDBDRO CC(C)NC(=O)C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447519665 420777320 /nfs/dbraw/zinc/77/73/20/420777320.db2.gz QYLUHBNOXHJWND-NWDGAFQWSA-N 1 0 309.370 1.389 20 5 DDBDRO Cn1ccc(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)n1 ZINC000447580582 420783623 /nfs/dbraw/zinc/78/36/23/420783623.db2.gz PBYWFKWJUHFUHI-STQMWFEESA-N 1 0 304.354 1.798 20 5 DDBDRO C[C@H]([NH2+][C@@H](CO)[C@H]1CCCO1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000447912276 420815968 /nfs/dbraw/zinc/81/59/68/420815968.db2.gz JSMLNMWIQIEPIU-LEWSCRJBSA-N 1 0 323.349 1.051 20 5 DDBDRO CCOC[C@H]1CCCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000459706768 420853180 /nfs/dbraw/zinc/85/31/80/420853180.db2.gz JEAHJLPCSPMOSU-OCCSQVGLSA-N 1 0 312.370 1.043 20 5 DDBDRO O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000493454615 420855342 /nfs/dbraw/zinc/85/53/42/420855342.db2.gz BWTAPQIZBNXSNA-XARUKTKKSA-N 1 0 319.336 1.958 20 5 DDBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3C[C@H](O)[C@H](CO)C3)o2)cc1 ZINC000459718389 420856333 /nfs/dbraw/zinc/85/63/33/420856333.db2.gz XHCSYBPJSKIOHS-WFASDCNBSA-N 1 0 318.329 1.640 20 5 DDBDRO C[C@H](CCS(C)(=O)=O)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449188252 420966392 /nfs/dbraw/zinc/96/63/92/420966392.db2.gz JYILPXNYUXZXCS-NEPJUHHUSA-N 1 0 314.407 1.939 20 5 DDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCS(=O)(=O)N(C)C ZINC000449341206 420994411 /nfs/dbraw/zinc/99/44/11/420994411.db2.gz YEXCGOMCYSNCAA-NSHDSACASA-N 1 0 315.395 1.007 20 5 DDBDRO CCOC(=O)[C@@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])CC12COC2 ZINC000449355951 420996442 /nfs/dbraw/zinc/99/64/42/420996442.db2.gz ALSZDKBBTFKIBP-ZDUSSCGKSA-N 1 0 320.345 1.606 20 5 DDBDRO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@H](O)C[C@@H]2[C@H]2CCCOC2)cc1 ZINC000449430240 421011734 /nfs/dbraw/zinc/01/17/34/421011734.db2.gz BVOPQTGUJLKBIW-NUEKZKHPSA-N 1 0 306.362 1.957 20 5 DDBDRO C[C@H]1[C@@H](CO)CC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000488725758 421108077 /nfs/dbraw/zinc/10/80/77/421108077.db2.gz BDKBKHIBIKDFHE-NWDGAFQWSA-N 1 0 307.350 1.260 20 5 DDBDRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000449713053 421066453 /nfs/dbraw/zinc/06/64/53/421066453.db2.gz VSDGZTFZGRBINJ-GHMZBOCLSA-N 1 0 309.391 1.931 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NCCC[NH+](C)C)c1 ZINC000489072116 421135495 /nfs/dbraw/zinc/13/54/95/421135495.db2.gz KTQJHIMPQKVGEH-UHFFFAOYSA-N 1 0 315.395 1.442 20 5 DDBDRO COc1cc(NC[C@H]2CCC[N@@H+]2CCCO)ccc1[N+](=O)[O-] ZINC000450602007 421216428 /nfs/dbraw/zinc/21/64/28/421216428.db2.gz ZJGHGKZBZXLEQO-CYBMUJFWSA-N 1 0 309.366 1.862 20 5 DDBDRO CC1(C)CC[N@H+](CC(=O)NCCNc2ccccc2[N+](=O)[O-])C1 ZINC000561084002 421305490 /nfs/dbraw/zinc/30/54/90/421305490.db2.gz XMRPGORDHCCTPW-UHFFFAOYSA-N 1 0 320.393 1.855 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)NCC[N@@H+]2CC[C@@H](C)C2)c1 ZINC000524775178 421270091 /nfs/dbraw/zinc/27/00/91/421270091.db2.gz UOMAYEATFSEXHI-LLVKDONJSA-N 1 0 307.350 1.675 20 5 DDBDRO CC[C@@H]1C[N@H+](C)CCN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000514649904 421443122 /nfs/dbraw/zinc/44/31/22/421443122.db2.gz OCLZXUWIPLSZRH-ZIAGYGMSSA-N 1 0 323.393 1.361 20 5 DDBDRO CNc1nccc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000563547528 421520150 /nfs/dbraw/zinc/52/01/50/421520150.db2.gz VNYFWYKXLQCKLU-GHMZBOCLSA-N 1 0 321.381 1.586 20 5 DDBDRO CCN(CC)CC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000548826139 421477136 /nfs/dbraw/zinc/47/71/36/421477136.db2.gz WPDBKAUJVIOPFH-UHFFFAOYSA-N 1 0 308.382 1.855 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2COCc3ccccc32)c1 ZINC000570626298 421658108 /nfs/dbraw/zinc/65/81/08/421658108.db2.gz FYDMNQLWBOJDDE-UKRRQHHQSA-N 1 0 318.333 1.013 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CC2(CCO)CCC2)c1 ZINC000519708311 421719889 /nfs/dbraw/zinc/71/98/89/421719889.db2.gz NARUGNKXGOXAQY-AWEZNQCLSA-N 1 0 324.377 1.477 20 5 DDBDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000572672817 421810615 /nfs/dbraw/zinc/81/06/15/421810615.db2.gz NKAVBRHCTMFOMV-OAHLLOKOSA-N 1 0 304.350 1.548 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@H]2CCCOC2)c1 ZINC000559604919 421835882 /nfs/dbraw/zinc/83/58/82/421835882.db2.gz GOWLWBJCQYMFCG-TZMCWYRMSA-N 1 0 310.350 1.351 20 5 DDBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000573932541 422034187 /nfs/dbraw/zinc/03/41/87/422034187.db2.gz LZKFOPIDQBBXBB-JTQLQIEISA-N 1 0 307.354 1.176 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H]1CC[C@@H](CO)C1 ZINC000584113362 422263521 /nfs/dbraw/zinc/26/35/21/422263521.db2.gz OAOUCMCIXZDJHA-FRRDWIJNSA-N 1 0 310.350 1.085 20 5 DDBDRO O=C(CC[C@@H]1CC[NH2+]C1)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000575865817 422339209 /nfs/dbraw/zinc/33/92/09/422339209.db2.gz UYBVRKVKBHQITC-GFCCVEGCSA-N 1 0 307.350 1.480 20 5 DDBDRO CC[NH+](CC)CCCCNC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000594289784 422343739 /nfs/dbraw/zinc/34/37/39/422343739.db2.gz BUVPBRATJUEYLA-UHFFFAOYSA-N 1 0 309.370 1.424 20 5 DDBDRO O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000594436234 422347488 /nfs/dbraw/zinc/34/74/88/422347488.db2.gz NNDWYNZGBCKCDA-ABAIWWIYSA-N 1 0 315.333 1.799 20 5 DDBDRO C[C@@H](C[NH+]1CCC(C)CC1)Nc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000596487317 422377894 /nfs/dbraw/zinc/37/78/94/422377894.db2.gz GJXGFGUMVNZHDM-LBPRGKRZSA-N 1 0 318.381 2.170 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000579233206 422729967 /nfs/dbraw/zinc/72/99/67/422729967.db2.gz BOKYALKPWLWVPO-NEPJUHHUSA-N 1 0 306.366 1.395 20 5 DDBDRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)/C=C\c3ccccc3[N+](=O)[O-])C[C@H]12 ZINC000319386669 271023863 /nfs/dbraw/zinc/02/38/63/271023863.db2.gz CQCCNRVJSGRSDT-AHGVDHAKSA-N 1 0 301.346 1.804 20 5 DDBDRO COc1ccc(NC(=O)CNCC2([NH3+])CCC2)c([N+](=O)[O-])c1 ZINC000342135897 271313210 /nfs/dbraw/zinc/31/32/10/271313210.db2.gz LRQRKLRUARXUJX-UHFFFAOYSA-N 1 0 308.338 1.013 20 5 DDBDRO CC1=CC[N@H+](CCNc2cccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000342850685 271542628 /nfs/dbraw/zinc/54/26/28/271542628.db2.gz OYJMGFQDOAVMGG-UHFFFAOYSA-N 1 0 304.350 1.758 20 5 DDBDRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNc1ccc([N+](=O)[O-])nc1 ZINC000344444381 272028372 /nfs/dbraw/zinc/02/83/72/272028372.db2.gz YAEIFGITPZMRMW-CYBMUJFWSA-N 1 0 321.381 1.344 20 5 DDBDRO CCc1n[nH]c(C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)c1[N+](=O)[O-] ZINC000344618703 272071987 /nfs/dbraw/zinc/07/19/87/272071987.db2.gz PSFYCCFLWSFHBT-NSHDSACASA-N 1 0 323.397 1.731 20 5 DDBDRO CO[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(C)c2)[C@@H](C[NH3+])C1 ZINC000262058967 274063498 /nfs/dbraw/zinc/06/34/98/274063498.db2.gz DTPZBJQSNHQNEV-CHWSQXEVSA-N 1 0 307.350 1.482 20 5 DDBDRO CS[C@H]1CN(c2ccc3ncc([N+](=O)[O-])n3n2)C[C@@H]1[NH+](C)C ZINC000340732381 274186579 /nfs/dbraw/zinc/18/65/79/274186579.db2.gz ACMHUUOGKDEPLM-UWVGGRQHSA-N 1 0 322.394 1.119 20 5 DDBDRO CC[NH2+][C@H](C)CNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000420435554 276270685 /nfs/dbraw/zinc/27/06/85/276270685.db2.gz MLTMILCXVJMKCQ-LLVKDONJSA-N 1 0 315.395 1.055 20 5 DDBDRO C[NH+](C)[C@H]1CCC[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000429325720 276794753 /nfs/dbraw/zinc/79/47/53/276794753.db2.gz JIKOJZZLDAROJO-STQMWFEESA-N 1 0 313.379 1.356 20 5 DDBDRO C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000286001992 277152683 /nfs/dbraw/zinc/15/26/83/277152683.db2.gz ZAJJBUZCMFAFCU-KBPBESRZSA-N 1 0 305.334 1.140 20 5 DDBDRO C[N@@H+]1CC[C@H]2CCN(c3ccc([N+](=O)[O-])c4nonc43)[C@@H]2C1 ZINC000272188277 277178325 /nfs/dbraw/zinc/17/83/25/277178325.db2.gz LOSVBPJDZDEBNU-JOYOIKCWSA-N 1 0 303.322 1.661 20 5 DDBDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000285240749 278267098 /nfs/dbraw/zinc/26/70/98/278267098.db2.gz YTCZNHNAMAGKDY-AXFHLTTASA-N 1 0 309.370 1.414 20 5 DDBDRO C[C@@H]([NH3+])[C@@H](C)NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000449591455 278311219 /nfs/dbraw/zinc/31/12/19/278311219.db2.gz QMBNUUVMZSBXGI-NXEZZACHSA-N 1 0 303.322 1.246 20 5 DDBDRO CCn1nc(C)c([N+](=O)[O-])c1N[C@@H](CO)CC[NH+](CC)CC ZINC000340915756 279113721 /nfs/dbraw/zinc/11/37/21/279113721.db2.gz XNKLMAXPAIWYLP-GFCCVEGCSA-N 1 0 313.402 1.624 20 5 DDBDRO C[C@H]([NH2+][C@@H](C)[C@H](C)N1CCOCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293572036 279497396 /nfs/dbraw/zinc/49/73/96/279497396.db2.gz DNAICQGLVKKJFV-AVGNSLFASA-N 1 0 322.409 1.937 20 5 DDBDRO C[C@H]1C[C@H](C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)CCO1 ZINC000453573029 279993032 /nfs/dbraw/zinc/99/30/32/279993032.db2.gz GENXLWGGUFECMX-UONOGXRCSA-N 1 0 320.393 1.927 20 5 DDBDRO CC(C)[C@@H]1CN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000487048853 280016354 /nfs/dbraw/zinc/01/63/54/280016354.db2.gz QYMHPALAQVKSDE-AWEZNQCLSA-N 1 0 306.366 1.470 20 5 DDBDRO Cc1ccc(NCCCNC(=O)N[C@@H](C)C[NH3+])c([N+](=O)[O-])c1 ZINC000417720298 280915487 /nfs/dbraw/zinc/91/54/87/280915487.db2.gz RLAKKJVUGUYXMM-NSHDSACASA-N 1 0 309.370 1.352 20 5 DDBDRO CC1CC[NH+](CCCNC(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000126946851 281257664 /nfs/dbraw/zinc/25/76/64/281257664.db2.gz MMNXMRWOTGDAOO-UHFFFAOYSA-N 1 0 309.370 1.030 20 5 DDBDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000128326866 281307455 /nfs/dbraw/zinc/30/74/55/281307455.db2.gz XNKZMBPLNFXASI-NSHDSACASA-N 1 0 309.370 1.702 20 5 DDBDRO C[C@H](CC[NH+](C)C)NC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000264894030 298415544 /nfs/dbraw/zinc/41/55/44/298415544.db2.gz KIOGKTJWHMJASM-LLVKDONJSA-N 1 0 308.382 1.731 20 5 DDBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cc([N+](=O)[O-])nn1C ZINC000356319019 298761463 /nfs/dbraw/zinc/76/14/63/298761463.db2.gz YTYLLAMMRNCNDP-QWRGUYRKSA-N 1 0 307.354 1.027 20 5 DDBDRO CC(C)(C)OC(=O)[C@@](C)(O)C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000362107728 300007362 /nfs/dbraw/zinc/00/73/62/300007362.db2.gz XAUQQGVWKIVYDM-HNNXBMFYSA-N 1 0 310.350 1.777 20 5 DDBDRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000362982490 300193749 /nfs/dbraw/zinc/19/37/49/300193749.db2.gz MEEQCJVGNRZGER-GWCFXTLKSA-N 1 0 304.350 1.072 20 5 DDBDRO CC(C)(C[NH3+])NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000574564613 304663240 /nfs/dbraw/zinc/66/32/40/304663240.db2.gz JJLOPBFVECHGDM-UHFFFAOYSA-N 1 0 316.155 1.824 20 5 DDBDRO COc1cc(C(=O)N2CC[C@@]3(CCC[C@H]3[NH3+])C2)ccc1[N+](=O)[O-] ZINC000364196948 300356105 /nfs/dbraw/zinc/35/61/05/300356105.db2.gz CAFNZPCXDUMDLT-ZBFHGGJFSA-N 1 0 319.361 1.947 20 5 DDBDRO CC(C)[NH2+]CCCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000574905126 304696156 /nfs/dbraw/zinc/69/61/56/304696156.db2.gz MZLKANAJEGWHSH-UHFFFAOYSA-N 1 0 308.338 1.038 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000369347286 301169186 /nfs/dbraw/zinc/16/91/86/301169186.db2.gz WPZLJKZNBUIRLY-RISCZKNCSA-N 1 0 318.377 1.485 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1CN1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000370057709 301267819 /nfs/dbraw/zinc/26/78/19/301267819.db2.gz ZLMLHNYYLGMOTO-CYBMUJFWSA-N 1 0 307.398 1.779 20 5 DDBDRO O=C(COc1ccccc1[N+](=O)[O-])N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000373066531 301657692 /nfs/dbraw/zinc/65/76/92/301657692.db2.gz SBZRTVWBDUKOLN-RYUDHWBXSA-N 1 0 305.334 1.184 20 5 DDBDRO Nc1c(C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)cccc1[N+](=O)[O-] ZINC000374428540 301804371 /nfs/dbraw/zinc/80/43/71/301804371.db2.gz MLRWDYDWFKQBOH-CYBMUJFWSA-N 1 0 318.377 1.781 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170873533 302045666 /nfs/dbraw/zinc/04/56/66/302045666.db2.gz DSJYIYRSMQONAD-NSHDSACASA-N 1 0 313.379 1.228 20 5 DDBDRO O=[N+]([O-])c1ccn(CCN2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)n1 ZINC000377963504 302257854 /nfs/dbraw/zinc/25/78/54/302257854.db2.gz UYDKLOYVNBJCGI-HZSPNIEDSA-N 1 0 305.382 1.207 20 5 DDBDRO CC(C)(C)[C@H](C[NH3+])NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000420357889 302384403 /nfs/dbraw/zinc/38/44/03/302384403.db2.gz IBKMOXJWJPBNJG-AWEZNQCLSA-N 1 0 320.393 1.447 20 5 DDBDRO CCOC(=O)N1CC[C@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000497225041 302693818 /nfs/dbraw/zinc/69/38/18/302693818.db2.gz FVKLVZPPHZBYSY-GXTWGEPZSA-N 1 0 323.349 1.449 20 5 DDBDRO O=C(CCn1cc([N+](=O)[O-])cn1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000515058821 302763863 /nfs/dbraw/zinc/76/38/63/302763863.db2.gz BWXMJKRIFFOIDZ-CHWSQXEVSA-N 1 0 321.381 1.030 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C[C@H]2CCCS2)c1 ZINC000515467238 302776320 /nfs/dbraw/zinc/77/63/20/302776320.db2.gz UQJQJBHOGQEGTC-GXTWGEPZSA-N 1 0 312.391 1.820 20 5 DDBDRO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cn1)[NH+]1CCC(C)CC1 ZINC000532145905 303277431 /nfs/dbraw/zinc/27/74/31/303277431.db2.gz RSNQNWCUYCWICJ-GFCCVEGCSA-N 1 0 306.366 1.840 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)NCC[N@@H+]2CC[C@H](C)C2)c1[N+](=O)[O-] ZINC000532913476 303301858 /nfs/dbraw/zinc/30/18/58/303301858.db2.gz FHWDBHZJXBSXAP-JTQLQIEISA-N 1 0 309.370 1.513 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](C)CC[NH+](C)C ZINC000357638773 306901360 /nfs/dbraw/zinc/90/13/60/306901360.db2.gz MLDSBTALFGXFQQ-LLVKDONJSA-N 1 0 315.395 1.522 20 5 DDBDRO COC(=O)c1cnc(N(C)CC[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000357704448 306907923 /nfs/dbraw/zinc/90/79/23/306907923.db2.gz FCVUELRSYYOMBP-UHFFFAOYSA-N 1 0 308.338 1.308 20 5 DDBDRO O=C(CC[NH2+]CCCn1ccnc1)Nc1ccccc1[N+](=O)[O-] ZINC000558573443 303775072 /nfs/dbraw/zinc/77/50/72/303775072.db2.gz WSCBGVHDTXDCQO-UHFFFAOYSA-N 1 0 317.349 1.800 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@]2(CCC[C@@H]2[NH3+])C1 ZINC000365087199 307058340 /nfs/dbraw/zinc/05/83/40/307058340.db2.gz WREYZLCLMBFZDI-DZGCQCFKSA-N 1 0 304.350 1.642 20 5 DDBDRO CN(CCN1C[C@H]2CC[C@@H](C1)O2)Cc1ccccc1[N+](=O)[O-] ZINC000367592593 307099193 /nfs/dbraw/zinc/09/91/93/307099193.db2.gz FETHYIYKHFZQKC-GASCZTMLSA-N 1 0 305.378 1.890 20 5 DDBDRO Cc1c(CN2CCC[C@H](S(N)(=O)=O)C2)cccc1[N+](=O)[O-] ZINC000368680123 307107824 /nfs/dbraw/zinc/10/78/24/307107824.db2.gz JIIPWQOJYXNOER-LBPRGKRZSA-N 1 0 313.379 1.156 20 5 DDBDRO O=C1NC[C@]2(CCC[N@@H+](CCc3ccc([N+](=O)[O-])cc3)C2)O1 ZINC000372614289 307172458 /nfs/dbraw/zinc/17/24/58/307172458.db2.gz SOSIMKCGHGWBOV-HNNXBMFYSA-N 1 0 305.334 1.712 20 5 DDBDRO O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000372658336 307172690 /nfs/dbraw/zinc/17/26/90/307172690.db2.gz YAFABQJYWLYJIZ-RRFJBIMHSA-N 1 0 303.362 1.432 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CC[C@](O)(C3CC3)C2)c1 ZINC000373907800 307198051 /nfs/dbraw/zinc/19/80/51/307198051.db2.gz GQMQEIDHNYGMMN-GOEBONIOSA-N 1 0 322.361 1.181 20 5 DDBDRO [NH3+][C@H]1CCc2nc(NC(=O)c3ccc([N+](=O)[O-])cn3)sc2C1 ZINC000377593101 307274118 /nfs/dbraw/zinc/27/41/18/307274118.db2.gz QEPXCYGQEKNILK-ZETCQYMHSA-N 1 0 319.346 1.515 20 5 DDBDRO Cc1c(NC(=O)[C@@H](C)N2C[C@H](O)C[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000412036303 307298617 /nfs/dbraw/zinc/29/86/17/307298617.db2.gz MHNDMTOVROIHGC-CYZMBNFOSA-N 1 0 321.377 1.933 20 5 DDBDRO Cn1nccc1CC[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000558832246 307896947 /nfs/dbraw/zinc/89/69/47/307896947.db2.gz XWLVJLHACUJTSP-UHFFFAOYSA-N 1 0 316.365 1.088 20 5 DDBDRO CC[C@@H](C)[C@@H](O)C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000564977018 308015268 /nfs/dbraw/zinc/01/52/68/308015268.db2.gz VUOHYFKMJRQNJY-RISCZKNCSA-N 1 0 309.366 1.920 20 5 DDBDRO C[C@@H]1CN(C[C@@H](O)C[NH2+]Cc2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000565299772 308027562 /nfs/dbraw/zinc/02/75/62/308027562.db2.gz LGJFEVQOWUHJGV-IOASZLSFSA-N 1 0 323.393 1.155 20 5 DDBDRO CC1(C)SC[C@@H]1[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000566129667 308045587 /nfs/dbraw/zinc/04/55/87/308045587.db2.gz HEYVOHIOTPECFN-MFKMUULPSA-N 1 0 312.391 1.818 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1C[C@@H]2OCCC[C@@H]12 ZINC000566132637 308045985 /nfs/dbraw/zinc/04/59/85/308045985.db2.gz VSHYWFGZVGAGHK-IATRGZMQSA-N 1 0 322.361 1.492 20 5 DDBDRO [NH3+]CC1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000571042195 308189716 /nfs/dbraw/zinc/18/97/16/308189716.db2.gz NQLJBYDELYEKDV-UHFFFAOYSA-N 1 0 307.306 1.134 20 5 DDBDRO COc1ccc(CNC(=O)N2CCC[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000573307777 308236238 /nfs/dbraw/zinc/23/62/38/308236238.db2.gz JHEUUNBMQSMKEK-GFCCVEGCSA-N 1 0 322.365 1.484 20 5 DDBDRO Cn1cc(C[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)nn1 ZINC000576545659 308322385 /nfs/dbraw/zinc/32/23/85/308322385.db2.gz BQMJZEGQHXZEJA-UHFFFAOYSA-N 1 0 300.322 1.537 20 5 DDBDRO CC(C)[NH2+]CCCNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000578609712 308472505 /nfs/dbraw/zinc/47/25/05/308472505.db2.gz XCEMUVPGSAALHS-UHFFFAOYSA-N 1 0 308.382 1.825 20 5 DDBDRO [NH3+][C@@H]1CCN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000579355250 308525756 /nfs/dbraw/zinc/52/57/56/308525756.db2.gz YCPPVXSNPMOGPE-CYBMUJFWSA-N 1 0 318.377 1.371 20 5 DDBDRO CC[NH2+]CC1CCN(C(=O)c2nn(CC)cc2[N+](=O)[O-])CC1 ZINC000579590438 308543367 /nfs/dbraw/zinc/54/33/67/308543367.db2.gz IAVRBGGBQPSUJY-UHFFFAOYSA-N 1 0 309.370 1.273 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2C[C@@H]2C2CCCCC2)c1 ZINC000580065049 308576946 /nfs/dbraw/zinc/57/69/46/308576946.db2.gz HIDVGWOQUCDNFW-RBSFLKMASA-N 1 0 308.382 1.711 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000382445589 325745171 /nfs/dbraw/zinc/74/51/71/325745171.db2.gz ALBPEBAGNFJNFR-WDEREUQCSA-N 1 0 313.379 1.309 20 5 DDBDRO CNc1ccc(C(=O)NC[C@@]2(C)CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000581309706 325828511 /nfs/dbraw/zinc/82/85/11/325828511.db2.gz KLENLZRQNZNAAX-HNNXBMFYSA-N 1 0 306.366 1.756 20 5 DDBDRO COC1(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000581465173 325856518 /nfs/dbraw/zinc/85/65/18/325856518.db2.gz CRNLPQQVSWJXCD-UHFFFAOYSA-N 1 0 310.350 1.759 20 5 DDBDRO Cc1cc(N2CCC[C@H]([NH+]3CCOCC3)CC2)ncc1[N+](=O)[O-] ZINC000582975193 337225237 /nfs/dbraw/zinc/22/52/37/337225237.db2.gz IYOOKOMRLBFRHV-AWEZNQCLSA-N 1 0 320.393 1.989 20 5 DDBDRO O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000583749795 337329085 /nfs/dbraw/zinc/32/90/85/337329085.db2.gz LCLQSQGIOGDFLF-ZDUSSCGKSA-N 1 0 320.349 1.300 20 5 DDBDRO C[C@@H]1CN(CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@]1(C)CO ZINC000595875512 490371921 /nfs/dbraw/zinc/37/19/21/490371921.db2.gz QIPYMBLZMCVMNE-ABAIWWIYSA-N 1 0 307.350 1.484 20 5 DDBDRO C[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000348143052 490748783 /nfs/dbraw/zinc/74/87/83/490748783.db2.gz ORWDYHWOTSNVPQ-MFKMUULPSA-N 1 0 307.350 1.598 20 5 DDBDRO CCNC(=O)N1CC[C@H]([NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000449188064 500690415 /nfs/dbraw/zinc/69/04/15/500690415.db2.gz RMKPWXKOOQADPR-JSGCOSHPSA-N 1 0 320.393 1.919 20 5 DDBDRO Cc1c(CN2C[C@@H](C)[N@@H+](CCO)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000419331794 533846738 /nfs/dbraw/zinc/84/67/38/533846738.db2.gz RUTJOXPZBVJYDN-OLZOCXBDSA-N 1 0 307.394 1.790 20 5 DDBDRO Cc1c(CNC(=O)N2CC[C@@]3(CC[NH2+]C3)C2)cccc1[N+](=O)[O-] ZINC000418083424 533855348 /nfs/dbraw/zinc/85/53/48/533855348.db2.gz RTUGANZZXSBWPL-MRXNPFEDSA-N 1 0 318.377 1.798 20 5 DDBDRO COc1cc(C[NH2+][C@H]2CCn3ccnc3C2)c([N+](=O)[O-])cc1O ZINC000494413622 533909343 /nfs/dbraw/zinc/90/93/43/533909343.db2.gz NKQJGFWZCAICSE-NSHDSACASA-N 1 0 318.333 1.610 20 5 DDBDRO C[C@]12C[N@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000452055517 534189859 /nfs/dbraw/zinc/18/98/59/534189859.db2.gz UMDLCUOOHJWRKQ-ZLTXHLNPSA-N 1 0 320.393 1.520 20 5 DDBDRO C[C@@H]1OCC[C@]1(C)[NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000494204579 534205892 /nfs/dbraw/zinc/20/58/92/534205892.db2.gz KMCMUZUERLLSOV-PEYYIBSZSA-N 1 0 319.361 1.857 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000415514160 534337660 /nfs/dbraw/zinc/33/76/60/534337660.db2.gz BPTNQYSFXCJZKW-WDEREUQCSA-N 1 0 320.349 1.037 20 5 DDBDRO [NH3+]C[C@@H](NC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1)C1CC1 ZINC000418404369 534665174 /nfs/dbraw/zinc/66/51/74/534665174.db2.gz QKFAJXWPFMPRQD-CYBMUJFWSA-N 1 0 320.349 1.236 20 5 DDBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000449724410 534672200 /nfs/dbraw/zinc/67/22/00/534672200.db2.gz GWBHFLAGCYKTRA-SMDDNHRTSA-N 1 0 321.402 1.897 20 5 DDBDRO C[C@@H]1CN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)[C@@H](C)C[NH2+]1 ZINC000156242665 525042086 /nfs/dbraw/zinc/04/20/86/525042086.db2.gz UTACTQSMJFGGTM-MNOVXSKESA-N 1 0 313.379 1.107 20 5 DDBDRO CC(C)([NH3+])CNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000415464809 527245905 /nfs/dbraw/zinc/24/59/05/527245905.db2.gz NLGMCPDTZYHSBU-UHFFFAOYSA-N 1 0 314.729 1.040 20 5 DDBDRO CC(C)([NH3+])c1noc(CN2CCc3ccc([N+](=O)[O-])cc3C2)n1 ZINC000431069788 527261938 /nfs/dbraw/zinc/26/19/38/527261938.db2.gz WQFWXKLECBMFKH-UHFFFAOYSA-N 1 0 317.349 1.730 20 5 DDBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H](O)[C@H](CO)C1 ZINC000414564656 527502226 /nfs/dbraw/zinc/50/22/26/527502226.db2.gz XVSSKKCMRHFVMZ-ZFYLUOEISA-N 1 0 306.362 1.673 20 5 DDBDRO CCO[C@@H]1COCC[C@@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444680052 527770518 /nfs/dbraw/zinc/77/05/18/527770518.db2.gz CXSJKOHIEMCUQN-GXTWGEPZSA-N 1 0 320.349 1.755 20 5 DDBDRO CCOC(=O)c1cc(C(=O)NC[C@H]2CC[NH2+]C2)cc([N+](=O)[O-])c1 ZINC000423565203 528149437 /nfs/dbraw/zinc/14/94/37/528149437.db2.gz LMYXKZVOMGNVJY-JTQLQIEISA-N 1 0 321.333 1.111 20 5 DDBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000330833962 528175555 /nfs/dbraw/zinc/17/55/55/528175555.db2.gz HUUCWVHFZQSFCU-NSHDSACASA-N 1 0 321.381 1.376 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000423476854 528692453 /nfs/dbraw/zinc/69/24/53/528692453.db2.gz SRUUXHKCECSHQR-GHMZBOCLSA-N 1 0 307.350 1.803 20 5 DDBDRO CC(C)[NH+](CCN(C)C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)C(C)C ZINC000445162642 528890833 /nfs/dbraw/zinc/89/08/33/528890833.db2.gz UKLBCIWMCXJVPJ-UHFFFAOYSA-N 1 0 324.381 1.886 20 5 DDBDRO CCC([NH3+])(CC)CNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000417232149 528934949 /nfs/dbraw/zinc/93/49/49/528934949.db2.gz LZZLDAJWNZSZGV-UHFFFAOYSA-N 1 0 308.382 1.954 20 5 DDBDRO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000424024500 529130497 /nfs/dbraw/zinc/13/04/97/529130497.db2.gz AKJNNOBZJJSVAR-AWEZNQCLSA-N 1 0 321.381 1.028 20 5 DDBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)s1 ZINC000049182742 696221953 /nfs/dbraw/zinc/22/19/53/696221953.db2.gz AGSATYMMKNHGFU-CMPLNLGQSA-N 1 0 310.379 1.873 20 5 DDBDRO Cc1c(Cl)cc(S(=O)(=O)N[C@@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000111303462 696643339 /nfs/dbraw/zinc/64/33/39/696643339.db2.gz HERCNGYTMMMLBP-LURJTMIESA-N 1 0 307.759 1.182 20 5 DDBDRO CCCC[N@H+](C)CCNS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000119755856 696685234 /nfs/dbraw/zinc/68/52/34/696685234.db2.gz HAWKSSPNVJNQFF-UHFFFAOYSA-N 1 0 321.424 1.667 20 5 DDBDRO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)NCCC[NH2+]C1CC1 ZINC000126839739 696765802 /nfs/dbraw/zinc/76/58/02/696765802.db2.gz PLQIMCPVHXPOSE-UHFFFAOYSA-N 1 0 317.342 1.154 20 5 DDBDRO Cc1nn(C)c(C(=O)OCCC[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000800149739 700194513 /nfs/dbraw/zinc/19/45/13/700194513.db2.gz SRXGJTIXQBAOQW-UHFFFAOYSA-N 1 0 310.354 1.670 20 5 DDBDRO CC(C)[N@H+](C)CCNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000778275935 698255573 /nfs/dbraw/zinc/25/55/73/698255573.db2.gz PUNVBKXZXPYOAW-UHFFFAOYSA-N 1 0 323.378 1.670 20 5 DDBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000261953523 698447302 /nfs/dbraw/zinc/44/73/02/698447302.db2.gz WRZYQAFYWOGBHG-CQSZACIVSA-N 1 0 319.365 1.106 20 5 DDBDRO O=C(NCC1C[NH2+]C1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000262001241 698449472 /nfs/dbraw/zinc/44/94/72/698449472.db2.gz HCEAIZXWECLRKU-UHFFFAOYSA-N 1 0 303.240 1.563 20 5 DDBDRO O=C(NC1CC[NH2+]CC1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000262195149 698458808 /nfs/dbraw/zinc/45/88/08/698458808.db2.gz MLTXTQROHTWFOR-UHFFFAOYSA-N 1 0 315.333 1.262 20 5 DDBDRO O=[N+]([O-])c1ccc(NC(=S)NCC[N@@H+]2CCCOCC2)cc1 ZINC000782210858 698696622 /nfs/dbraw/zinc/69/66/22/698696622.db2.gz UQIJRBHCSJSVMT-UHFFFAOYSA-N 1 0 324.406 1.604 20 5 DDBDRO O=[N+]([O-])c1cccc(-c2noc(CN3C[C@H]4C[C@@]4(CO)C3)n2)c1 ZINC000782620871 698752807 /nfs/dbraw/zinc/75/28/07/698752807.db2.gz MCZNPEKVLAUPNL-ABAIWWIYSA-N 1 0 316.317 1.459 20 5 DDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@]3(CCC[NH2+]3)C2)cc1 ZINC000725374132 699331517 /nfs/dbraw/zinc/33/15/17/699331517.db2.gz IHPJDMFICMGLFP-CYBMUJFWSA-N 1 0 311.363 1.111 20 5 DDBDRO CCCc1n[nH]c(C(=O)NC[C@H](C)[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000731808030 699537473 /nfs/dbraw/zinc/53/74/73/699537473.db2.gz BMLHPRAXQIAIGV-NSHDSACASA-N 1 0 323.397 1.875 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)NCC[N@@H+]2CCC[C@H]2C)c1 ZINC000742242477 699869895 /nfs/dbraw/zinc/86/98/95/699869895.db2.gz WDQZKQIIZDCWIT-LLVKDONJSA-N 1 0 307.350 1.818 20 5 DDBDRO Cc1cccc2c1CC[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC000743846580 699928652 /nfs/dbraw/zinc/92/86/52/699928652.db2.gz OCBGFFJQNBBRGW-HNNXBMFYSA-N 1 0 316.361 1.519 20 5 DDBDRO CC(C)[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1 ZINC000801796511 700339488 /nfs/dbraw/zinc/33/94/88/700339488.db2.gz CINUWHUZIDYPRB-UHFFFAOYSA-N 1 0 324.356 1.919 20 5 DDBDRO CC(C)[N@@H+]1CCO[C@@H](COC(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000802141599 700372152 /nfs/dbraw/zinc/37/21/52/700372152.db2.gz XPUHFYDNMJHTGY-CQSZACIVSA-N 1 0 322.361 1.790 20 5 DDBDRO C/C(=C\C(=O)NC[C@](C)(O)C[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000752650849 700377573 /nfs/dbraw/zinc/37/75/73/700377573.db2.gz IERZXSKVLFUSEP-YHVDPYDOSA-N 1 0 321.377 1.427 20 5 DDBDRO O=C(NCC[NH+]1CCC1)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000752686492 700379966 /nfs/dbraw/zinc/37/99/66/700379966.db2.gz CVQSEKXHIMCYIU-UHFFFAOYSA-N 1 0 312.757 1.753 20 5 DDBDRO COC(=O)C[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CC1 ZINC000754520784 700507699 /nfs/dbraw/zinc/50/76/99/700507699.db2.gz JHWIPVGWVMMYAH-LBPRGKRZSA-N 1 0 321.333 1.125 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CCC(OCCO)CC2)c1 ZINC000757130658 700658832 /nfs/dbraw/zinc/65/88/32/700658832.db2.gz MEDJCZXKCYWLBY-HNNXBMFYSA-N 1 0 310.350 1.102 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[N@H+](C)[C@@H](C)C1 ZINC000761077258 700840393 /nfs/dbraw/zinc/84/03/93/700840393.db2.gz NSJRNHKQSISBLY-LBPRGKRZSA-N 1 0 306.366 1.478 20 5 DDBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[N@H+](C)[C@@H](C)C1 ZINC000761077093 700840458 /nfs/dbraw/zinc/84/04/58/700840458.db2.gz MWUKMYPUXFOCSA-NWDGAFQWSA-N 1 0 306.366 1.558 20 5 DDBDRO C[C@@H]([NH2+]CCOC[C@H]1CCOC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815578004 701899088 /nfs/dbraw/zinc/89/90/88/701899088.db2.gz FKOFNOHCMDYKOI-NEPJUHHUSA-N 1 0 309.366 1.881 20 5 DDBDRO C[C@@H]([NH2+][C@@H](CO)C1CCOCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815615858 701904282 /nfs/dbraw/zinc/90/42/82/701904282.db2.gz ZGAZNZYHYDBYDQ-YGRLFVJLSA-N 1 0 309.366 1.615 20 5 DDBDRO C[N@@H+]1CCCC[C@H]1CCOC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000840222262 702034067 /nfs/dbraw/zinc/03/40/67/702034067.db2.gz BYJMBODSGDPZBW-LBPRGKRZSA-N 1 0 310.354 1.599 20 5 DDBDRO [NH3+]CCN(CCO)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000841011551 702310212 /nfs/dbraw/zinc/31/02/12/702310212.db2.gz RCDQCVVXZVUIFS-UHFFFAOYSA-N 1 0 302.718 1.033 20 5 DDBDRO O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000841066294 702333475 /nfs/dbraw/zinc/33/34/75/702333475.db2.gz ZYVJESPAMCDDBT-GZBFAFLISA-N 1 0 301.346 1.663 20 5 DDBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000817679647 702449088 /nfs/dbraw/zinc/44/90/88/702449088.db2.gz VENUOKWZJGOQBL-KGLIPLIRSA-N 1 0 307.350 1.181 20 5 DDBDRO C[NH2+]CCCN(C)C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000818013534 702553702 /nfs/dbraw/zinc/55/37/02/702553702.db2.gz APQIIKSQUNBYOE-UHFFFAOYSA-N 1 0 317.748 1.998 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@H](CO)c2cccnc2)cc1 ZINC000843084213 702815664 /nfs/dbraw/zinc/81/56/64/702815664.db2.gz WEBYEZSARPOBQA-ZBFHGGJFSA-N 1 0 317.345 1.389 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]Cc2cccc(CO)n2)c1 ZINC000843111971 702821122 /nfs/dbraw/zinc/82/11/22/702821122.db2.gz KCUZADDAQOOKDO-OAHLLOKOSA-N 1 0 303.318 1.305 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(Cc2noc([C@]3(F)CC[NH2+]C3)n2)c1 ZINC000843222725 702845300 /nfs/dbraw/zinc/84/53/00/702845300.db2.gz JDXDIPXAYKWANI-AWEZNQCLSA-N 1 0 322.296 1.735 20 5 DDBDRO C[C@H]1CN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@H](C)[NH2+]1 ZINC000843351780 702864801 /nfs/dbraw/zinc/86/48/01/702864801.db2.gz DCYSTDTZDHSADI-QWRGUYRKSA-N 1 0 324.356 1.745 20 5 DDBDRO O=C(N(Cc1ccccc1[N+](=O)[O-])C1CC1)[C@@]1(F)CC[NH2+]C1 ZINC000831425507 706704024 /nfs/dbraw/zinc/70/40/24/706704024.db2.gz CBLAQHBHDYMASF-OAHLLOKOSA-N 1 0 307.325 1.787 20 5 DDBDRO C[C@@H]1CN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)[C@H](C)C[NH2+]1 ZINC000831546033 706728843 /nfs/dbraw/zinc/72/88/43/706728843.db2.gz HZGXMDVFBXNDEX-GHMZBOCLSA-N 1 0 317.349 1.153 20 5 DDBDRO O=C(NCC[N@H+]1CC=CCC1)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000831550077 706729646 /nfs/dbraw/zinc/72/96/46/706729646.db2.gz JNXXETJKHKSAAY-CQSZACIVSA-N 1 0 305.334 1.006 20 5 DDBDRO COc1cc(C(=O)NOC2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000846648884 703307707 /nfs/dbraw/zinc/30/77/07/703307707.db2.gz ZKMMJBIZLJROHX-UHFFFAOYSA-N 1 0 309.322 1.359 20 5 DDBDRO C[C@H]1CCCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)[C@@H]1CC[NH3+] ZINC000846693386 703318773 /nfs/dbraw/zinc/31/87/73/703318773.db2.gz GNYDIHZLRHMPOT-GXFFZTMASA-N 1 0 306.366 1.767 20 5 DDBDRO C[C@@H](COC(=O)CCn1cc([N+](=O)[O-])cn1)[NH+]1CCCCC1 ZINC000847961016 703487508 /nfs/dbraw/zinc/48/75/08/703487508.db2.gz RZVLIEXORQPGBM-LBPRGKRZSA-N 1 0 310.354 1.599 20 5 DDBDRO CCO[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(C)c1)C[NH+](C)C ZINC000831776463 706777563 /nfs/dbraw/zinc/77/75/63/706777563.db2.gz JTXVQUMEZIEPRG-ZDUSSCGKSA-N 1 0 309.366 1.600 20 5 DDBDRO CC[C@@H]1CN(C)CCN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000818978641 704041040 /nfs/dbraw/zinc/04/10/40/704041040.db2.gz XUUTXXOVYBHXKP-LLVKDONJSA-N 1 0 322.321 1.669 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CCOc2cccnc2)cc1 ZINC000819069624 704064875 /nfs/dbraw/zinc/06/48/75/704064875.db2.gz PUDIUUHTPQDNHV-HNNXBMFYSA-N 1 0 303.318 1.692 20 5 DDBDRO CO[C@H](C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000819070661 704065037 /nfs/dbraw/zinc/06/50/37/704065037.db2.gz YTMYXMXSGXXBFE-WDEREUQCSA-N 1 0 308.256 1.795 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CCOC[C@@H]2CCCO2)cc1 ZINC000819073511 704065568 /nfs/dbraw/zinc/06/55/68/704065568.db2.gz NGDYCEGKQPXTSD-LSDHHAIUSA-N 1 0 310.350 1.413 20 5 DDBDRO CCNC(=O)C(C)(C)C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819183417 704082899 /nfs/dbraw/zinc/08/28/99/704082899.db2.gz WMUVSQKQYHTTKJ-CYBMUJFWSA-N 1 0 309.366 1.380 20 5 DDBDRO O=C1C[C@@H](C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CN1C1CC1 ZINC000819217488 704088724 /nfs/dbraw/zinc/08/87/24/704088724.db2.gz BMADLRAAUKBKRM-NHYWBVRUSA-N 1 0 319.361 1.229 20 5 DDBDRO COCCn1cc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)cn1 ZINC000819288992 704101234 /nfs/dbraw/zinc/10/12/34/704101234.db2.gz BNDBOAWJPJNTDO-HNNXBMFYSA-N 1 0 320.349 1.261 20 5 DDBDRO CN(C)c1cccnc1C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819321865 704107255 /nfs/dbraw/zinc/10/72/55/704107255.db2.gz NYIMBZLIEWSHPD-MRXNPFEDSA-N 1 0 316.361 1.879 20 5 DDBDRO COC(=O)NC1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000852768817 704119349 /nfs/dbraw/zinc/11/93/49/704119349.db2.gz IUCWTZKRCJGAPQ-UHFFFAOYSA-N 1 0 323.349 1.794 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H](CO)C[NH+]1CCCC1 ZINC000819842595 704177814 /nfs/dbraw/zinc/17/78/14/704177814.db2.gz BMCYRGQKGSSQAV-LBPRGKRZSA-N 1 0 307.350 1.090 20 5 DDBDRO COc1cc(N2CC[NH+](C(C)(C)CO)CC2)c([N+](=O)[O-])cc1C ZINC000853339230 704235548 /nfs/dbraw/zinc/23/55/48/704235548.db2.gz ZHFWSQKWRAQHOY-UHFFFAOYSA-N 1 0 323.393 1.805 20 5 DDBDRO COc1cc(N2CC(N3CC[C@@H](O)C3)C2)c([N+](=O)[O-])cc1C ZINC000853713912 704303943 /nfs/dbraw/zinc/30/39/43/704303943.db2.gz RPVMJGZLHCNFPJ-GFCCVEGCSA-N 1 0 307.350 1.167 20 5 DDBDRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000855164307 704471904 /nfs/dbraw/zinc/47/19/04/704471904.db2.gz HZWMLGKGQDZONT-NSHDSACASA-N 1 0 306.366 1.780 20 5 DDBDRO CC[N@H+](CCNc1nccc(C(=O)OC)c1[N+](=O)[O-])C(C)C ZINC000856728439 704535554 /nfs/dbraw/zinc/53/55/54/704535554.db2.gz SSOUGCGPUFZGBZ-UHFFFAOYSA-N 1 0 310.354 1.919 20 5 DDBDRO C[C@H](C[NH3+])N(C)C(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857766293 704622449 /nfs/dbraw/zinc/62/24/49/704622449.db2.gz ZWQOUAHCFWZRPM-MRVPVSSYSA-N 1 0 303.265 1.372 20 5 DDBDRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000874823242 705182194 /nfs/dbraw/zinc/18/21/94/705182194.db2.gz GVSKQFHBATWMDZ-KBPBESRZSA-N 1 0 321.352 1.972 20 5 DDBDRO COC[C@]1(c2nc(-c3cc(C)cc([N+](=O)[O-])c3)no2)CC[NH2+]C1 ZINC000823269428 705189296 /nfs/dbraw/zinc/18/92/96/705189296.db2.gz GVJULCQYDBAGHO-HNNXBMFYSA-N 1 0 318.333 1.831 20 5 DDBDRO C[NH+](C)C[C@@H]1CCN(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000823962287 705345871 /nfs/dbraw/zinc/34/58/71/705345871.db2.gz QUJRISVCZYZCPB-JTQLQIEISA-N 1 0 307.354 1.592 20 5 DDBDRO C[C@H]1C[C@@H](NC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000823987727 705350348 /nfs/dbraw/zinc/35/03/48/705350348.db2.gz QREMFNOKEWKNCH-ONGXEEELSA-N 1 0 307.354 1.781 20 5 DDBDRO Cc1ccc(CNC(=O)N2CC[C@H](C[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000876169344 705646970 /nfs/dbraw/zinc/64/69/70/705646970.db2.gz URICLWNIGLWPHI-CQSZACIVSA-N 1 0 320.393 1.996 20 5 DDBDRO Cc1cc(C(=O)NC[C@H]2CCCC[N@@H+](C)C2)c(N)c([N+](=O)[O-])c1 ZINC000862792430 705799355 /nfs/dbraw/zinc/79/93/55/705799355.db2.gz VHPUCENWAHWFBS-GFCCVEGCSA-N 1 0 320.393 1.947 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000876865957 705898018 /nfs/dbraw/zinc/89/80/18/705898018.db2.gz KXQMXMBLOGZUDY-LLVKDONJSA-N 1 0 313.304 1.939 20 5 DDBDRO C[N@H+](Cn1ncc2ccc([N+](=O)[O-])cc21)[C@H]1C[C@@H](C(N)=O)C1 ZINC000863322201 705900951 /nfs/dbraw/zinc/90/09/51/705900951.db2.gz POPNVOBCMPGHCR-KLPPZKSPSA-N 1 0 303.322 1.098 20 5 DDBDRO C[C@@H]1SCC[C@@H]1NC(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000876944613 705933151 /nfs/dbraw/zinc/93/31/51/705933151.db2.gz RXDKIXMZYXSOGS-WFBYXXMGSA-N 1 0 309.391 1.779 20 5 DDBDRO C[C@H]([NH3+])CN(C)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000863565383 705959280 /nfs/dbraw/zinc/95/92/80/705959280.db2.gz IFRNJVVDJCWTOO-QMMMGPOBSA-N 1 0 300.746 1.466 20 5 DDBDRO CS[C@@H](CO)[C@H](C)[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877048527 705971547 /nfs/dbraw/zinc/97/15/47/705971547.db2.gz LZOQOPZOOJMWLY-FJUHHBQUSA-N 1 0 300.384 1.197 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(F)cc([N+](=O)[O-])c3N)CC[C@@H]21 ZINC000827338035 705979642 /nfs/dbraw/zinc/97/96/42/705979642.db2.gz NADCRRXYAWFPCD-SKDRFNHKSA-N 1 0 322.340 1.482 20 5 DDBDRO Cc1nc([N+](=O)[O-])c(-c2noc([C@@H](F)[C@@H]3CC[NH2+]C3)n2)n1C ZINC000863671784 705982858 /nfs/dbraw/zinc/98/28/58/705982858.db2.gz AFQLQUSWVXZXMR-SFYZADRCSA-N 1 0 310.289 1.307 20 5 DDBDRO CC1(C)CC[C@@H](CNC(=O)COc2cccc([N+](=O)[O-])c2)[NH2+]C1 ZINC000877157849 706001721 /nfs/dbraw/zinc/00/17/21/706001721.db2.gz VXJVNRLDWVBMGC-LBPRGKRZSA-N 1 0 321.377 1.868 20 5 DDBDRO CN(CC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1)c1ccccc1[N+](=O)[O-] ZINC000877374494 706085457 /nfs/dbraw/zinc/08/54/57/706085457.db2.gz AYBWHFJNTGFQIP-BLLLJJGKSA-N 1 0 318.377 1.099 20 5 DDBDRO CCOC(=O)[C@@H](C)C1CN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000871993183 707272465 /nfs/dbraw/zinc/27/24/65/707272465.db2.gz MHTJCIKNHLKMQT-NHYWBVRUSA-N 1 0 322.361 1.759 20 5 DDBDRO C[C@H](NC[C@H](O)C[NH+]1CCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872026076 707282470 /nfs/dbraw/zinc/28/24/70/707282470.db2.gz ACSHKWGCZPCLGB-RYUDHWBXSA-N 1 0 311.357 1.841 20 5 DDBDRO Cc1c(CC(=O)N[C@@]23CCC[C@H]2[NH2+]CC3)cccc1[N+](=O)[O-] ZINC000877389486 706091755 /nfs/dbraw/zinc/09/17/55/706091755.db2.gz MNYGZMSOLLDZLM-GDBMZVCRSA-N 1 0 303.362 1.847 20 5 DDBDRO Cn1cc(C[N@@H+]2CCC[C@H](c3nccn3C)C2)c([N+](=O)[O-])n1 ZINC000877481126 706118550 /nfs/dbraw/zinc/11/85/50/706118550.db2.gz VSUMMNRUUWXCCA-NSHDSACASA-N 1 0 304.354 1.441 20 5 DDBDRO C[C@@H]1CN(C(=O)CCC(C)(C)[N+](=O)[O-])CC[N@@H+]1CC(C)(C)O ZINC000829736424 706386120 /nfs/dbraw/zinc/38/61/20/706386120.db2.gz IKKYZFNWBMQDEL-GFCCVEGCSA-N 1 0 315.414 1.126 20 5 DDBDRO C[C@H]([NH2+]CC(=O)N1CCO[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000830156582 706465747 /nfs/dbraw/zinc/46/57/47/706465747.db2.gz VGJJWKRDCATLBX-NEPJUHHUSA-N 1 0 307.350 1.493 20 5 DDBDRO CC(C)(O)C[N@@H+]1CC[C@H](Nc2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000865999004 706589811 /nfs/dbraw/zinc/58/98/11/706589811.db2.gz VXIKYXUKOCTFKR-JTQLQIEISA-N 1 0 314.773 1.900 20 5 DDBDRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000880136796 706887848 /nfs/dbraw/zinc/88/78/48/706887848.db2.gz SGDINAJZXIAXOI-OAGGEKHMSA-N 1 0 305.378 1.797 20 5 DDBDRO C[NH+](C)CCONC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000833859510 707015832 /nfs/dbraw/zinc/01/58/32/707015832.db2.gz LZCHCWXZUKQOKA-UHFFFAOYSA-N 1 0 322.365 1.418 20 5 DDBDRO CCC[C@@H]1C[NH2+]CCN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000834469935 707061404 /nfs/dbraw/zinc/06/14/04/707061404.db2.gz RVOOSTONXPEONJ-LLVKDONJSA-N 1 0 322.321 1.717 20 5 DDBDRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000834637276 707097246 /nfs/dbraw/zinc/09/72/46/707097246.db2.gz XEAVGJIRXRFJRS-GWCFXTLKSA-N 1 0 317.349 1.059 20 5 DDBDRO CNc1ccc(C(=O)N2CC[NH2+]CCC2(C)C)cc1[N+](=O)[O-] ZINC000872291083 707368008 /nfs/dbraw/zinc/36/80/08/707368008.db2.gz CPAOAJHEKMSVRR-UHFFFAOYSA-N 1 0 306.366 1.851 20 5 DDBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000882481237 707651224 /nfs/dbraw/zinc/65/12/24/707651224.db2.gz AARWEMUGVOGANQ-LLVKDONJSA-N 1 0 302.334 1.900 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000882725119 707761984 /nfs/dbraw/zinc/76/19/84/707761984.db2.gz KOYMPEUPNHPQLR-GFCCVEGCSA-N 1 0 309.370 1.066 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000873319413 707810447 /nfs/dbraw/zinc/81/04/47/707810447.db2.gz LLOXHZOOXFWJHL-ZUZCIYMTSA-N 1 0 320.349 1.677 20 5 DDBDRO C[N@H+](CCNc1c(F)cc([N+](=O)[O-])cc1F)CCOCCO ZINC000882951963 707868684 /nfs/dbraw/zinc/86/86/84/707868684.db2.gz CYIRJADKITXTBN-UHFFFAOYSA-N 1 0 319.308 1.226 20 5 DDBDRO CC[N@@H+]1CC[C@H]1CNc1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C ZINC000882959994 707874039 /nfs/dbraw/zinc/87/40/39/707874039.db2.gz WHYPWGYSSIIWOZ-JTQLQIEISA-N 1 0 319.365 1.291 20 5 DDBDRO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839461966 708049389 /nfs/dbraw/zinc/04/93/89/708049389.db2.gz AFTAHLQBBVQCNW-UTUOFQBUSA-N 1 0 309.391 1.666 20 5 DDBDRO CC(C)O[C@]1(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CCOC1 ZINC000896667575 708112681 /nfs/dbraw/zinc/11/26/81/708112681.db2.gz NKRZGTFNULKRPN-PIMMBPRGSA-N 1 0 324.381 1.669 20 5 DDBDRO C[C@H]1COC[C@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000896732491 708135237 /nfs/dbraw/zinc/13/52/37/708135237.db2.gz GNNSZTJDWRPHPQ-SMDDNHRTSA-N 1 0 306.366 1.583 20 5 DDBDRO C[NH+](C)CCCOC(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000885184451 708487820 /nfs/dbraw/zinc/48/78/20/708487820.db2.gz HSMGWTPNYUQLTC-UHFFFAOYSA-N 1 0 324.333 1.865 20 5 DDBDRO COc1c(O)ccc(C[NH2+][C@H]2COC[C@@H]2C2CC2)c1[N+](=O)[O-] ZINC000898380074 708627837 /nfs/dbraw/zinc/62/78/37/708627837.db2.gz LHBUTHWEBUJVNZ-NEPJUHHUSA-N 1 0 308.334 1.824 20 5 DDBDRO O=[N+]([O-])c1ncccc1C[NH2+][C@H](C1CC1)C1(CO)CCOCC1 ZINC000886273839 708734202 /nfs/dbraw/zinc/73/42/02/708734202.db2.gz HISHDPYSOMVWFV-CQSZACIVSA-N 1 0 321.377 1.647 20 5 DDBDRO CCN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@H]1CC[NH2+]C1 ZINC000886854528 708865020 /nfs/dbraw/zinc/86/50/20/708865020.db2.gz RUNSHUHXJIEQQL-AWEZNQCLSA-N 1 0 320.393 1.916 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@H]([NH+](C)C)C12CCC2 ZINC000898848051 708888381 /nfs/dbraw/zinc/88/83/81/708888381.db2.gz IWCPDLQWPMBZAE-KBPBESRZSA-N 1 0 318.377 1.901 20 5 DDBDRO C[C@H](CNC(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C)c1ccccc1[N+](=O)[O-] ZINC000887399069 709036644 /nfs/dbraw/zinc/03/66/44/709036644.db2.gz MBGMKGZHPLNGQO-WQGACYEGSA-N 1 0 321.377 1.270 20 5 DDBDRO C[N@H+](CCO)CCNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000899741982 709186329 /nfs/dbraw/zinc/18/63/29/709186329.db2.gz YGEQLCMSFLOOHF-UHFFFAOYSA-N 1 0 321.377 1.057 20 5 DDBDRO Cc1c(CC(=O)N2CC[C@@H]([NH+]3CCC3)C2)cccc1[N+](=O)[O-] ZINC000912912432 713122045 /nfs/dbraw/zinc/12/20/45/713122045.db2.gz AZHVPLASTVZRMC-CQSZACIVSA-N 1 0 303.362 1.752 20 5 DDBDRO Cc1cc(F)cc(C(=O)N2CC[C@@H]([NH+]3CCC3)C2)c1[N+](=O)[O-] ZINC000912916065 713123115 /nfs/dbraw/zinc/12/31/15/713123115.db2.gz TZHYOZLIUBQUAV-GFCCVEGCSA-N 1 0 307.325 1.963 20 5 DDBDRO O=C(N1CCc2c(cccc2[N+](=O)[O-])C1)C12CC[NH+](CC1)C2 ZINC000901218654 709972822 /nfs/dbraw/zinc/97/28/22/709972822.db2.gz MTINOJYHPRJGPR-UHFFFAOYSA-N 1 0 301.346 1.575 20 5 DDBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891758771 710287233 /nfs/dbraw/zinc/28/72/33/710287233.db2.gz VSCUIGWSCDMDTJ-RYUDHWBXSA-N 1 0 324.768 1.546 20 5 DDBDRO C[C@H](NC(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000892112655 710374226 /nfs/dbraw/zinc/37/42/26/710374226.db2.gz UEZCKTLOXKANKH-FPMFFAJLSA-N 1 0 318.377 1.859 20 5 DDBDRO CS[C@H]1CN(c2ccc3nonc3c2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000893002894 710539754 /nfs/dbraw/zinc/53/97/54/710539754.db2.gz WOSXNUWBRNXENM-MNOVXSKESA-N 1 0 323.378 1.613 20 5 DDBDRO COc1cc([N+](=O)[O-])cnc1N1C[C@H](SC)[C@@H]([NH+](C)C)C1 ZINC000893002884 710539827 /nfs/dbraw/zinc/53/98/27/710539827.db2.gz WLCUSIFNSSYSKK-JQWIXIFHSA-N 1 0 312.395 1.480 20 5 DDBDRO CCC[C@H]1CN(c2c([N+](=O)[O-])cnn2C)CC[N@@H+]1CCOC ZINC000893055778 710547893 /nfs/dbraw/zinc/54/78/93/710547893.db2.gz HNANMVQRSRYYMZ-LBPRGKRZSA-N 1 0 311.386 1.265 20 5 DDBDRO Cc1nn(C(C)C)c(C)c1C[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000893135245 710560195 /nfs/dbraw/zinc/56/01/95/710560195.db2.gz PFTANJVJINVVRP-UHFFFAOYSA-N 1 0 306.370 1.975 20 5 DDBDRO COc1c(O)ccc(CNCC[N@@H+]2CC[C@H](C)C2)c1[N+](=O)[O-] ZINC000893353720 710614095 /nfs/dbraw/zinc/61/40/95/710614095.db2.gz BPMTVAVBOSOGHR-NSHDSACASA-N 1 0 309.366 1.740 20 5 DDBDRO C[C@@H]1[C@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC[N@@H+]1C ZINC000928446191 713199851 /nfs/dbraw/zinc/19/98/51/713199851.db2.gz VCVPHJQOJPNRSR-NOZJJQNGSA-N 1 0 302.334 1.899 20 5 DDBDRO C[C@H]1[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CC[N@@H+]1C ZINC000928455742 713204629 /nfs/dbraw/zinc/20/46/29/713204629.db2.gz UMMYINBGMWZOOQ-GWCFXTLKSA-N 1 0 306.366 1.483 20 5 DDBDRO C[N@@H+]1CC[C@H](C(=O)NCc2cc(F)c(Cl)c([N+](=O)[O-])c2)C1 ZINC000913385147 713206596 /nfs/dbraw/zinc/20/65/96/713206596.db2.gz RFZJHNOKWRKRPD-VIFPVBQESA-N 1 0 315.732 1.955 20 5 DDBDRO CCC[N@H+](C)CC(=O)NCc1cc([N+](=O)[O-])c(F)cc1F ZINC000911475766 710814038 /nfs/dbraw/zinc/81/40/38/710814038.db2.gz ITEJLNQOXORDBP-UHFFFAOYSA-N 1 0 301.293 1.831 20 5 DDBDRO C[C@](C[NH3+])(NC(=O)CCc1cc(F)ccc1[N+](=O)[O-])C1CC1 ZINC000911801318 711000192 /nfs/dbraw/zinc/00/01/92/711000192.db2.gz CDNMJYDYQJYNFY-OAHLLOKOSA-N 1 0 309.341 1.910 20 5 DDBDRO COc1cc([C@H](C)NC[C@]2(O)CC[N@H+](C)C2)cc([N+](=O)[O-])c1 ZINC000903154148 711049786 /nfs/dbraw/zinc/04/97/86/711049786.db2.gz TVNDCMKFHJZYMU-XHDPSFHLSA-N 1 0 309.366 1.321 20 5 DDBDRO C[C@@H]1[C@H]([NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CCN1C ZINC000903300627 711094155 /nfs/dbraw/zinc/09/41/55/711094155.db2.gz JUWNGXCAMKGTFO-AAVRWANBSA-N 1 0 307.398 1.957 20 5 DDBDRO C[NH2+]CCN(CCC(=O)Nc1ccccc1[N+](=O)[O-])C(C)C ZINC000903572547 711203215 /nfs/dbraw/zinc/20/32/15/711203215.db2.gz WNWHGGHUAXGTAQ-UHFFFAOYSA-N 1 0 308.382 1.853 20 5 DDBDRO [NH3+]C[C@]12CC[C@H]1CCCN2C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000903806318 711286204 /nfs/dbraw/zinc/28/62/04/711286204.db2.gz VLGIKPOWCMOQIS-VNQPRFMTSA-N 1 0 305.378 1.832 20 5 DDBDRO C[C@H]1[C@@H](Nc2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])CC[N@@H+]1C ZINC000895737551 711590927 /nfs/dbraw/zinc/59/09/27/711590927.db2.gz BJCXSFDWTZCKML-JQWIXIFHSA-N 1 0 316.361 1.951 20 5 DDBDRO C[C@]1(CN2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCC[NH2+]C1 ZINC000904307540 711839490 /nfs/dbraw/zinc/83/94/90/711839490.db2.gz CUHDPGZHGWVMRI-INIZCTEOSA-N 1 0 319.409 1.502 20 5 DDBDRO C[N@@H+]1C[C@@H]2CN(Cn3ncc4ccc([N+](=O)[O-])cc43)C[C@]2(C)C1 ZINC000904437673 711858227 /nfs/dbraw/zinc/85/82/27/711858227.db2.gz SGJFBPSHRIRLTQ-CJNGLKHVSA-N 1 0 315.377 1.786 20 5 DDBDRO O=[N+]([O-])c1ccc(CO)c(-c2ccc(F)c(C[NH2+]CCO)c2)c1 ZINC000904797263 711893736 /nfs/dbraw/zinc/89/37/36/711893736.db2.gz VYPBFPOYNZPUNF-UHFFFAOYSA-N 1 0 320.320 1.975 20 5 DDBDRO CO[C@]1(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCSC1 ZINC000905546839 712072936 /nfs/dbraw/zinc/07/29/36/712072936.db2.gz PJSKYNNNMQHWTF-KGLIPLIRSA-N 1 0 312.391 1.740 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000905659810 712109553 /nfs/dbraw/zinc/10/95/53/712109553.db2.gz SBUQDSBEMCHFQO-YNRISGIPSA-N 1 0 320.345 1.100 20 5 DDBDRO CC1(C)C[C@@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CO1 ZINC000905698016 712122854 /nfs/dbraw/zinc/12/28/54/712122854.db2.gz DPMQNCILNMCITB-DGCLKSJQSA-N 1 0 310.350 1.492 20 5 DDBDRO C[C@H]1[C@@H](NC(=O)NCCc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000914325477 713378824 /nfs/dbraw/zinc/37/88/24/713378824.db2.gz LECWURGBXPVETF-FZMZJTMJSA-N 1 0 306.366 1.529 20 5 DDBDRO C[NH+](C)C1CC(NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000916955194 713475752 /nfs/dbraw/zinc/47/57/52/713475752.db2.gz GAWXYTBIQFTIHM-UHFFFAOYSA-N 1 0 317.342 1.105 20 5 DDBDRO Cc1ccc(S(=O)(=O)NC2CC([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000916956110 713475893 /nfs/dbraw/zinc/47/58/93/713475893.db2.gz PAVJQASNOBZVGU-UHFFFAOYSA-N 1 0 313.379 1.274 20 5 DDBDRO C[C@H](CNC(=O)COc1ccc([N+](=O)[O-])cc1)[NH+]1CCCCC1 ZINC000917837743 713515887 /nfs/dbraw/zinc/51/58/87/713515887.db2.gz MAICNHCAVYYCDG-CYBMUJFWSA-N 1 0 321.377 1.964 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)NCCC[NH+]1CCC(C)CC1 ZINC000929430733 713608775 /nfs/dbraw/zinc/60/87/75/713608775.db2.gz GPVAMGUIOFWVON-UHFFFAOYSA-N 1 0 323.397 1.338 20 5 DDBDRO CCOc1ccccc1CN1CCN(CC[N+](=O)[O-])[C@H](C)C1 ZINC000930321997 713802968 /nfs/dbraw/zinc/80/29/68/713802968.db2.gz BUABQDDBRBKQQY-CQSZACIVSA-N 1 0 307.394 1.868 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000930544323 713862736 /nfs/dbraw/zinc/86/27/36/713862736.db2.gz FZPHLQURULSURK-NEPJUHHUSA-N 1 0 323.397 1.336 20 5 DDBDRO O=[N+]([O-])CCN1CCO[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000930849529 713937054 /nfs/dbraw/zinc/93/70/54/713937054.db2.gz NISJLVXVZGMSAN-JKSUJKDBSA-N 1 0 305.378 1.238 20 5 DDBDRO COc1cc(C[NH2+][C@@H]2CCN(C)[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000922557440 714087694 /nfs/dbraw/zinc/08/76/94/714087694.db2.gz OEOVQLIWOIYUAL-ZYHUDNBSSA-N 1 0 309.366 1.794 20 5 DDBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CC[C@@H](C3OCCO3)C2)cc1 ZINC000932007474 714232636 /nfs/dbraw/zinc/23/26/36/714232636.db2.gz GOUHXGZNELCSAZ-GFCCVEGCSA-N 1 0 308.334 1.668 20 5 DDBDRO C[C@@H]([NH2+]CC(=O)NCc1cccnc1)c1ccc([N+](=O)[O-])cc1 ZINC000932180415 714280126 /nfs/dbraw/zinc/28/01/26/714280126.db2.gz SMJOFVLOXWLYLU-GFCCVEGCSA-N 1 0 314.345 1.957 20 5 DDBDRO Cc1c(NC(=O)CC[NH2+][C@H]2COC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000932494106 714346065 /nfs/dbraw/zinc/34/60/65/714346065.db2.gz ILMOHMRCBQMUJO-GWCFXTLKSA-N 1 0 307.350 1.856 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CCN1CC[N@@H+](C)C[C@@H]1CC(C)C ZINC000933251078 714547064 /nfs/dbraw/zinc/54/70/64/714547064.db2.gz JJVCDCSFNCSVHN-AWEZNQCLSA-N 1 0 309.414 1.762 20 5 DDBDRO O=C1NCCN1CC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000933580059 714623702 /nfs/dbraw/zinc/62/37/02/714623702.db2.gz RAKFIQFWJKBPPZ-UHFFFAOYSA-N 1 0 318.377 1.832 20 5 DDBDRO C[N@@H+]1C[C@@H]2CN(C[C@H](O)c3cccc([N+](=O)[O-])c3)C[C@]2(C)C1 ZINC000933735323 714658550 /nfs/dbraw/zinc/65/85/50/714658550.db2.gz HFXIGNMSBPRNSW-KBMXLJTQSA-N 1 0 305.378 1.512 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@@H]1CCOC12CCCCC2 ZINC000933870821 714689058 /nfs/dbraw/zinc/68/90/58/714689058.db2.gz DJJLZVQIPCCCSL-CQSZACIVSA-N 1 0 321.377 1.838 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)C[C@@H]1CCC(=O)N1 ZINC000924956016 714707872 /nfs/dbraw/zinc/70/78/72/714707872.db2.gz WWTUFWRQZMCUEO-PWSUYJOCSA-N 1 0 307.350 1.750 20 5 DDBDRO Cc1ccc(CN2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)cc1[N+](=O)[O-] ZINC000934271841 714782689 /nfs/dbraw/zinc/78/26/89/714782689.db2.gz HFENQDOAEIMLST-JKSUJKDBSA-N 1 0 319.405 1.934 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CN[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925492462 714872592 /nfs/dbraw/zinc/87/25/92/714872592.db2.gz TWTZMMPHZVTKTN-LGBUSMRCSA-N 1 0 303.362 1.689 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000934889914 714925048 /nfs/dbraw/zinc/92/50/48/714925048.db2.gz KUJIQDSEROSXDY-STQMWFEESA-N 1 0 321.381 1.042 20 5 DDBDRO Cc1cc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)on1 ZINC000940107308 716626738 /nfs/dbraw/zinc/62/67/38/716626738.db2.gz HRVPDUZABALRFE-CHWSQXEVSA-N 1 0 322.365 1.119 20 5 DDBDRO c1cnc2c(c1)ccc1ccc(N3CCN4CC[NH2+]C[C@@H]4C3)nc12 ZINC001164392852 718831164 /nfs/dbraw/zinc/83/11/64/718831164.db2.gz RRYHADQEQLINCW-MRXNPFEDSA-N 1 0 319.412 1.877 20 5 DDBDRO CCOc1nc(-n2nc(C)c(C[NH2+]C)c2C)ccc1[N+](=O)[O-] ZINC001167098547 732603155 /nfs/dbraw/zinc/60/31/55/732603155.db2.gz AMFSEUHQFLBLTA-UHFFFAOYSA-N 1 0 305.338 1.910 20 5 DDBDRO COC(=O)COc1c(C)cc(-n2cccc2C[NH3+])cc1[N+](=O)[O-] ZINC001167600172 734796907 /nfs/dbraw/zinc/79/69/07/734796907.db2.gz JMMZMBKJBYLOFG-UHFFFAOYSA-N 1 0 319.317 1.704 20 5 DDBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)c1cnon1 ZINC001022871448 734844449 /nfs/dbraw/zinc/84/44/49/734844449.db2.gz TVUPIZIBDPHGSL-PHIMTYICSA-N 1 0 317.305 1.028 20 5 DDBDRO CCN(CCNC(=O)CC[NH+](C)C)c1nc(C)ccc1[N+](=O)[O-] ZINC001100700769 736178592 /nfs/dbraw/zinc/17/85/92/736178592.db2.gz KRRIOFOSEBHXCO-UHFFFAOYSA-N 1 0 323.397 1.192 20 5 DDBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1C[C@H](CO)[C@H](CCO)C1 ZINC001184364205 744020007 /nfs/dbraw/zinc/02/00/07/744020007.db2.gz OOJSGTIPHGIZPV-VFGVELGVSA-N 1 0 320.389 1.921 20 5 DDBDRO CCOC(=O)c1ccc(-n2ccnc2C(N)=[NH2+])c([N+](=O)[O-])c1 ZINC001168417870 744338388 /nfs/dbraw/zinc/33/83/88/744338388.db2.gz OMXDDOSZLPKKHP-UHFFFAOYSA-N 1 0 303.278 1.241 20 5 DDBDRO CC(=O)CCCC(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001123480182 746537843 /nfs/dbraw/zinc/53/78/43/746537843.db2.gz MICHATYVHXCWKM-UHFFFAOYSA-N 1 0 307.350 1.560 20 5 DDBDRO CC(C)([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCCCO1 ZINC001197114423 747070985 /nfs/dbraw/zinc/07/09/85/747070985.db2.gz GWSCPHFMFPKJOA-QWHCGFSZSA-N 1 0 312.370 1.090 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCCC[C@H]1[C@H]1CCCO1 ZINC001198685216 747577139 /nfs/dbraw/zinc/57/71/39/747577139.db2.gz HZUCEWJFBCCKJK-LSDHHAIUSA-N 1 0 321.377 1.790 20 5 DDBDRO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@H](CO)[C@@H](CCO)C2)c(Cl)c1 ZINC001198752037 747598978 /nfs/dbraw/zinc/59/89/78/747598978.db2.gz HZEKDJBMNMFTRD-CMPLNLGQSA-N 1 0 314.769 1.671 20 5 DDBDRO Cc1ncc(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)s1 ZINC001124515218 748304585 /nfs/dbraw/zinc/30/45/85/748304585.db2.gz ZIAYULSYAFAKPX-UHFFFAOYSA-N 1 0 320.374 1.879 20 5 DDBDRO Cc1noc(C)c1C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000996429649 749587866 /nfs/dbraw/zinc/58/78/66/749587866.db2.gz QXCDLQHHXZEZQV-TZMCWYRMSA-N 1 0 322.365 1.037 20 5 DDBDRO C[NH+](C)CCC(=O)NC/C=C\CNc1cccc(F)c1[N+](=O)[O-] ZINC001107490147 750046336 /nfs/dbraw/zinc/04/63/36/750046336.db2.gz TXXALFNVZRGGQZ-ARJAWSKDSA-N 1 0 324.356 1.770 20 5 DDBDRO CN(CCNC(=O)CC[NH+](C)C)c1ccc(F)cc1[N+](=O)[O-] ZINC001100299641 750048255 /nfs/dbraw/zinc/04/82/55/750048255.db2.gz QIVHKACSROJCQT-UHFFFAOYSA-N 1 0 312.345 1.238 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])c(-n2cc(CC[NH3+])cn2)cc1OC ZINC001168950024 762139367 /nfs/dbraw/zinc/13/93/67/762139367.db2.gz SHECAJWDKGUPQI-UHFFFAOYSA-N 1 0 320.305 1.077 20 5 DDBDRO CS(=O)(=O)c1ccc(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)nc1 ZINC001168961704 762155963 /nfs/dbraw/zinc/15/59/63/762155963.db2.gz JQQRRPAQNWPVKJ-WDEREUQCSA-N 1 0 313.379 1.020 20 5 DDBDRO O=C1C=CC(=O)N1CCCCCC[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168968815 762158187 /nfs/dbraw/zinc/15/81/87/762158187.db2.gz ALEFIDPNMUIJFP-ZIAGYGMSSA-N 1 0 323.393 1.507 20 5 DDBDRO COCC(=O)N[C@H]1CC[C@H]([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168998906 762170785 /nfs/dbraw/zinc/17/07/85/762170785.db2.gz QYYKATHLOGJYNZ-SYQHCUMBSA-N 1 0 313.398 1.095 20 5 DDBDRO CC(C)(C)OC(=O)[C@H](N)C1C[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169004397 762173821 /nfs/dbraw/zinc/17/38/21/762173821.db2.gz QVSSBOHAVPBVRD-WCFLWFBJSA-N 1 0 313.398 1.033 20 5 DDBDRO CN(C)C(=O)c1ccc(CC[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)cc1 ZINC001169004002 762173992 /nfs/dbraw/zinc/17/39/92/762173992.db2.gz OWZWDYNKQGFNRH-HOCLYGCPSA-N 1 0 319.405 1.966 20 5 DDBDRO O=C1c2ccccc2[C@@H]2C[N@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CCN12 ZINC001169010274 762177975 /nfs/dbraw/zinc/17/79/75/762177975.db2.gz CCIKQPDPOMNBPE-IOASZLSFSA-N 1 0 315.373 1.945 20 5 DDBDRO CCNC(=O)CO[C@@H]1CCC[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169039940 762193587 /nfs/dbraw/zinc/19/35/87/762193587.db2.gz WAXJDACLXJLFCZ-MELADBBJSA-N 1 0 313.398 1.049 20 5 DDBDRO COc1cc(N2CC[NH+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)ncn1 ZINC001169041026 762194699 /nfs/dbraw/zinc/19/46/99/762194699.db2.gz ANSXZRGHAKJULM-CHWSQXEVSA-N 1 0 321.381 1.053 20 5 DDBDRO COc1ccc(O[C@@H]2CC[N@@H+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)C2)nc1 ZINC001169054469 762209493 /nfs/dbraw/zinc/20/94/93/762209493.db2.gz MEGADDRCOXJBCA-KCQAQPDRSA-N 1 0 321.377 1.989 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCC(Oc3ncc(F)cn3)CC2)C1 ZINC001169054401 762209652 /nfs/dbraw/zinc/20/96/52/762209652.db2.gz LWTWRKVIJYYGLY-DGCLKSJQSA-N 1 0 324.356 1.904 20 5 DDBDRO CC(F)(F)C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001019931079 760338756 /nfs/dbraw/zinc/33/87/56/760338756.db2.gz ASCIGKDFTZHXON-XYPYZODXSA-N 1 0 313.304 1.987 20 5 DDBDRO Cc1ccc(F)cc1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001020138982 760612857 /nfs/dbraw/zinc/61/28/57/760612857.db2.gz KZZLGVFRTIMCRF-KBUPBQIOSA-N 1 0 321.352 1.536 20 5 DDBDRO CCc1nc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cs1 ZINC001020140532 760615072 /nfs/dbraw/zinc/61/50/72/760615072.db2.gz NDUATEDCHQNYON-CNVPUSNMSA-N 1 0 324.406 1.108 20 5 DDBDRO O=C1NCc2ccccc2[C@@H]1Nc1cc2c(cc1[N+](=O)[O-])C[NH2+]C2 ZINC001169885810 762719567 /nfs/dbraw/zinc/71/95/67/762719567.db2.gz IUYMGEKNUURKNC-INIZCTEOSA-N 1 0 324.340 1.981 20 5 DDBDRO C[C@@H](Nc1ccc([N+](=O)[O-])c2cnccc12)[C@@H]1C[NH2+]CCO1 ZINC001170566121 768166854 /nfs/dbraw/zinc/16/68/54/768166854.db2.gz DRSKMFUZQWPUNG-BMIGLBTASA-N 1 0 302.334 1.932 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H](C)[C@@H]2C[NH2+]CCO2)c1 ZINC001170575831 768240512 /nfs/dbraw/zinc/24/05/12/768240512.db2.gz SBGFBYORSCKABM-ZANVPECISA-N 1 0 309.322 1.170 20 5 DDBDRO Cc1cnc(NC[C@H]2O[C@H](C(C)C)O[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC001170278571 766232910 /nfs/dbraw/zinc/23/29/10/766232910.db2.gz YAAHGWZRTPKZCT-YRGRVCCFSA-N 1 0 310.354 1.435 20 5 DDBDRO COc1ccc(C[C@H](C)[N@@H+]2CC[C@H](O)[C@@H](CO)C2)c([N+](=O)[O-])c1 ZINC001170334409 766256525 /nfs/dbraw/zinc/25/65/25/766256525.db2.gz DGUXSSZQEXHVRR-GHJWDPDVSA-N 1 0 324.377 1.210 20 5 DDBDRO COc1ccc(C[C@H](C)N2C[C@@H]3C[C@H]2C[N@@H+]3C)c([N+](=O)[O-])c1 ZINC001170354414 766260285 /nfs/dbraw/zinc/26/02/85/766260285.db2.gz KWEOFSBBEJTLCJ-UBHSHLNASA-N 1 0 305.378 1.923 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1ccc2c[nH+]cn2c1 ZINC001129668850 766958385 /nfs/dbraw/zinc/95/83/85/766958385.db2.gz OLVFROQNZGHPST-UHFFFAOYSA-N 1 0 311.301 1.876 20 5 DDBDRO Cc1cc(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])ccn1 ZINC001135559255 771577841 /nfs/dbraw/zinc/57/78/41/771577841.db2.gz IDNOJMQWBZSERC-UHFFFAOYSA-N 1 0 314.345 1.818 20 5 DDBDRO C[NH+](C)C1CCN(C(=O)c2[nH]nc([N+](=O)[O-])c2Cl)CC1 ZINC001144409658 772510429 /nfs/dbraw/zinc/51/04/29/772510429.db2.gz SCGJVUANVILBBW-UHFFFAOYSA-N 1 0 301.734 1.138 20 5 DDBDRO COC(=O)c1ncc([N+](=O)[O-])c(C)c1NC[C@H]1CCCC[NH2+]1 ZINC001171330552 773464983 /nfs/dbraw/zinc/46/49/83/773464983.db2.gz VZNBRWCNDNEXDJ-SNVBAGLBSA-N 1 0 308.338 1.639 20 5 DDBDRO CCN(CCNC(=O)C[N@H+](C)C(C)C)c1ccc([N+](=O)[O-])cc1 ZINC001100546784 776292792 /nfs/dbraw/zinc/29/27/92/776292792.db2.gz QWRXLGQCESAPEZ-UHFFFAOYSA-N 1 0 322.409 1.878 20 5 DDBDRO O=C1CC[C@H](C[NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CN1 ZINC001172899935 776914819 /nfs/dbraw/zinc/91/48/19/776914819.db2.gz FHXBSCAFAONFDN-IUODEOHRSA-N 1 0 317.389 1.958 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)n2cnc(CC[NH3+])n2)c1F ZINC001173180181 777035390 /nfs/dbraw/zinc/03/53/90/777035390.db2.gz UCZCQPYEHNAHJG-SECBINFHSA-N 1 0 323.328 1.639 20 5 DDBDRO C[NH+](C)[C@@H]1CC[C@@H]2CN(c3ccc(N)c([N+](=O)[O-])n3)C[C@H]2C1 ZINC001119982019 781708025 /nfs/dbraw/zinc/70/80/25/781708025.db2.gz FQAINAKIIVACJJ-IJLUTSLNSA-N 1 0 305.382 1.739 20 5 DDBDRO CCN(CC[NH2+]Cc1ccc(F)cc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001268450387 840211048 /nfs/dbraw/zinc/21/10/48/840211048.db2.gz VNBSOSNITLXKSA-ZIAGYGMSSA-N 1 0 309.341 1.429 20 5 DDBDRO C[C@@H](CN1CC[NH2+]CC1)Nc1ccc2cccc([N+](=O)[O-])c2n1 ZINC001154748626 861420561 /nfs/dbraw/zinc/42/05/61/861420561.db2.gz HLHAZGHQTILMET-LBPRGKRZSA-N 1 0 315.377 1.849 20 5 DDBDRO O=C(NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1cnsn1 ZINC001155089233 861717579 /nfs/dbraw/zinc/71/75/79/861717579.db2.gz CLDCVZBKCFTRNK-UHFFFAOYSA-N 1 0 321.362 1.356 20 5 DDBDRO C[NH2+][C@@H](C)CCNS(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC001326983381 861772114 /nfs/dbraw/zinc/77/21/14/861772114.db2.gz BBHNFCPKOZHIAK-NSHDSACASA-N 1 0 315.395 1.488 20 5 DDBDRO O=[N+]([O-])c1cc(Cl)cc(NCc2noc3c2C[NH2+]CC3)n1 ZINC001155497439 862163122 /nfs/dbraw/zinc/16/31/22/862163122.db2.gz OJSPFLVNMXEGEQ-UHFFFAOYSA-N 1 0 309.713 1.889 20 5 DDBDRO CCOc1ccc(C(=O)N2C[C@@H]([NH3+])C(C)(C)C2)cc1[N+](=O)[O-] ZINC001122246157 858724307 /nfs/dbraw/zinc/72/43/07/858724307.db2.gz RHTMRYIZANNHGV-CYBMUJFWSA-N 1 0 307.350 1.803 20 5 DDBDRO Cc1c(CC(=O)N2CC[C@H]3CC[C@@]32C[NH3+])cccc1[N+](=O)[O-] ZINC001122321583 858751899 /nfs/dbraw/zinc/75/18/99/858751899.db2.gz WJXJNRLFGYJKOT-CZUORRHYSA-N 1 0 303.362 1.786 20 5 DDBDRO CC(C)[C@@]1(CO)CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001325875288 860909190 /nfs/dbraw/zinc/90/91/90/860909190.db2.gz UILNHUPTGUHFSQ-CVEARBPZSA-N 1 0 308.378 1.969 20 5 DDBDRO C[C@@H](C[N+](C)(C)C)OC[C@H]1CN(Cc2ccccc2)CCO1 ZINC001224960975 881611295 /nfs/dbraw/zinc/61/12/95/881611295.db2.gz JHZZWUFKHMWSLX-FUHWJXTLSA-N 1 0 307.458 1.999 20 5 DDBDRO CC[N@@H+]1CC[C@@H](OCC(=O)OCc2ccc([N+](=O)[O-])cc2)C1 ZINC001224986733 881624918 /nfs/dbraw/zinc/62/49/18/881624918.db2.gz JTOYNSIIANSEKB-CQSZACIVSA-N 1 0 308.334 1.749 20 5 DDBDRO [NH3+]CCCCNC(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC001328711614 863164742 /nfs/dbraw/zinc/16/47/42/863164742.db2.gz FOYLRBOJNFHSFM-UHFFFAOYSA-N 1 0 303.265 1.422 20 5 DDBDRO Cc1ncc([N+](=O)[O-])c(-n2cc(CC[NH3+])c3cc(O)ccc32)n1 ZINC001157218106 863660003 /nfs/dbraw/zinc/66/00/03/863660003.db2.gz KFHZQASXKUHPQS-UHFFFAOYSA-N 1 0 313.317 1.844 20 5 DDBDRO CCOC(=O)CN(CCC[NH3+])c1ncc([N+](=O)[O-])c(C)c1C ZINC001157549734 863913518 /nfs/dbraw/zinc/91/35/18/863913518.db2.gz XFWBNDWUQBPGOR-UHFFFAOYSA-N 1 0 310.354 1.325 20 5 DDBDRO O=C(CC1(O)CCC1)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001157657127 864020986 /nfs/dbraw/zinc/02/09/86/864020986.db2.gz GKRRDGGBLMCVLE-UHFFFAOYSA-N 1 0 321.377 1.496 20 5 DDBDRO COc1cc2ncnc(N3CCC[C@@H]([NH3+])[C@@H]3C)c2cc1[N+](=O)[O-] ZINC001157739623 864090019 /nfs/dbraw/zinc/09/00/19/864090019.db2.gz DFHGMROEKMKXQR-GXSJLCMTSA-N 1 0 317.349 1.863 20 5 DDBDRO Cc1cc(Cl)c([N+](=O)[O-])c(-n2cc3c(n2)CC[C@@H]([NH3+])C3)n1 ZINC001157990548 864338611 /nfs/dbraw/zinc/33/86/11/864338611.db2.gz UWDDNVJUCAMEDS-SECBINFHSA-N 1 0 307.741 1.953 20 5 DDBDRO Cc1c(C[NH2+]CCN2CCC(CO)CC2)cccc1[N+](=O)[O-] ZINC001330794950 864610905 /nfs/dbraw/zinc/61/09/05/864610905.db2.gz RQNAZVHGIQRMRY-UHFFFAOYSA-N 1 0 307.394 1.697 20 5 DDBDRO C[C@H](Nc1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1)c1cccc(N)c1 ZINC001159642049 865447155 /nfs/dbraw/zinc/44/71/55/865447155.db2.gz SYGXQMWGBCVGSX-VIFPVBQESA-N 1 0 314.349 1.827 20 5 DDBDRO O=[N+]([O-])c1ccc2nc(Cl)nc(N[C@H]3C[NH2+]C[C@H]3CO)c2c1 ZINC001159672107 865460184 /nfs/dbraw/zinc/46/01/84/865460184.db2.gz MSDCRNXBPIZAMG-CPCISQLKSA-N 1 0 323.740 1.184 20 5 DDBDRO CC[C@]([NH3+])(CO)Nc1ccc(-c2ccc(F)c([N+](=O)[O-])c2)nn1 ZINC001159749323 865500123 /nfs/dbraw/zinc/50/01/23/865500123.db2.gz XCAFWAZSDXLECB-CQSZACIVSA-N 1 0 321.312 1.660 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCCNC(=O)C1(C2CC2)CC1 ZINC001160550948 865932089 /nfs/dbraw/zinc/93/20/89/865932089.db2.gz OFJAHTYDKXLDRZ-UHFFFAOYSA-N 1 0 321.381 1.114 20 5 DDBDRO O=C(NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CC1)c1cc[nH]c1 ZINC001277065874 881984489 /nfs/dbraw/zinc/98/44/89/881984489.db2.gz HYVGGFWMIVIZEH-UHFFFAOYSA-N 1 0 314.345 1.975 20 5 DDBDRO C[NH+](C)[C@H]1CCCC[C@@H]1Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC001333699514 866948094 /nfs/dbraw/zinc/94/80/94/866948094.db2.gz KHYSQFJGCNWJPM-JSGCOSHPSA-N 1 0 306.366 1.978 20 5 DDBDRO O=C(C1C[NH+]([C@H]2CCOC2)C1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001333745680 866978961 /nfs/dbraw/zinc/97/89/61/866978961.db2.gz MHAJCSFMNKHMJE-HNNXBMFYSA-N 1 0 317.345 1.158 20 5 DDBDRO C[C@H]([NH3+])c1nc2ccccc2n1-c1c(F)c([N+](=O)[O-])cc[n+]1[O-] ZINC001162760354 867803071 /nfs/dbraw/zinc/80/30/71/867803071.db2.gz ZLWWUQZAQUUFGU-QMMMGPOBSA-N 1 0 317.280 1.726 20 5 DDBDRO COc1nc(NC2CC3(C2)CCC[NH2+]C3)nc(OC)c1[N+](=O)[O-] ZINC001162981668 867970966 /nfs/dbraw/zinc/97/09/66/867970966.db2.gz LXZLMTJJMPIUGX-UHFFFAOYSA-N 1 0 323.353 1.346 20 5 DDBDRO CN1CCc2c(N[C@H]3CC[C@@H]4C[NH2+]C[C@@H]43)ccc([N+](=O)[O-])c2C1 ZINC001163269302 868288849 /nfs/dbraw/zinc/28/88/49/868288849.db2.gz ZFDJSXKMXVIFGZ-FFSVYQOJSA-N 1 0 316.405 1.993 20 5 DDBDRO CCOc1cnc(N[C@H]2CCO[C@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC001163310396 868339148 /nfs/dbraw/zinc/33/91/48/868339148.db2.gz LIHQCZOCPXFVFL-XHDPSFHLSA-N 1 0 322.365 1.712 20 5 DDBDRO O=[N+]([O-])c1cc(N[C@H]2CCO[C@@]3(CC[NH2+]C3)C2)cn2ccnc12 ZINC001163320886 868350096 /nfs/dbraw/zinc/35/00/96/868350096.db2.gz AIKHUCSLHYGIKK-NHYWBVRUSA-N 1 0 317.349 1.566 20 5 DDBDRO CN1CCc2c(N[C@H]3C[NH2+][C@@H]4CCO[C@@H]43)ccc([N+](=O)[O-])c2C1 ZINC001163348262 868383512 /nfs/dbraw/zinc/38/35/12/868383512.db2.gz XTVOWMQEYZNSDM-YCPHGPKFSA-N 1 0 318.377 1.124 20 5 DDBDRO C[NH+](C)[C@@H]1C[C@H](Nc2nccc(C(N)=O)c2[N+](=O)[O-])C12CCC2 ZINC001163721494 868653873 /nfs/dbraw/zinc/65/38/73/868653873.db2.gz KEWWFGVQIKMTTN-WDEREUQCSA-N 1 0 319.365 1.373 20 5 DDBDRO O=[N+]([O-])c1nccnc1NCc1cccnc1C1CC[NH2+]CC1 ZINC001163905042 868780367 /nfs/dbraw/zinc/78/03/67/868780367.db2.gz MMLPVSFEPPXXJQ-UHFFFAOYSA-N 1 0 314.349 1.859 20 5 DDBDRO O=[N+]([O-])c1cnc(N2CCCC(F)(F)CC2)nc1C1C[NH2+]C1 ZINC001163980529 868840884 /nfs/dbraw/zinc/84/08/84/868840884.db2.gz LAZPMTQDELFLAL-UHFFFAOYSA-N 1 0 313.308 1.697 20 5 DDBDRO COCCC[NH+]1CCN(c2cc(Cl)cc([N+](=O)[O-])n2)CC1 ZINC001165097236 869375316 /nfs/dbraw/zinc/37/53/16/869375316.db2.gz JYAJBQWXQHOYGD-UHFFFAOYSA-N 1 0 314.773 1.802 20 5 DDBDRO [NH3+]C[C@H]1CN(C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)CCO1 ZINC001165119537 869386311 /nfs/dbraw/zinc/38/63/11/869386311.db2.gz FYJFOMAXBOZVMM-ZETCQYMHSA-N 1 0 322.699 1.352 20 5 DDBDRO COC(=O)c1ccnc(N2CCC(F)(C[NH3+])CC2)c1[N+](=O)[O-] ZINC001165262346 869476263 /nfs/dbraw/zinc/47/62/63/869476263.db2.gz BXNAMZVZZZOQHG-UHFFFAOYSA-N 1 0 312.301 1.044 20 5 DDBDRO O=[N+]([O-])c1c[nH]c2ccc(N3CC[C@@H]4[NH2+]CCO[C@H]4C3)nc21 ZINC001165270495 869481770 /nfs/dbraw/zinc/48/17/70/869481770.db2.gz GLJDCYMEICDSLT-CABZTGNLSA-N 1 0 303.322 1.038 20 5 DDBDRO Cc1nc2c(n1-c1cc([N+](=O)[O-])cc(Cl)[n+]1[O-])CC[NH2+]CC2 ZINC001165354747 869541910 /nfs/dbraw/zinc/54/19/10/869541910.db2.gz JAJSYZOCYFSXMM-UHFFFAOYSA-N 1 0 323.740 1.064 20 5 DDBDRO [NH3+][C@H]1[C@H]2CN(c3cc([N+](=O)[O-])cc4c(Cl)ncnc43)C[C@@H]12 ZINC001165384066 869557397 /nfs/dbraw/zinc/55/73/97/869557397.db2.gz BVZNWIMMBUAQFR-DOFRTFSJSA-N 1 0 305.725 1.585 20 5 DDBDRO [NH3+][C@H]1CCN(c2ncnc3cccc([N+](=O)[O-])c32)CC1(F)F ZINC001166960599 870421985 /nfs/dbraw/zinc/42/19/85/870421985.db2.gz KBDMFWHRABNCCL-JTQLQIEISA-N 1 0 309.276 1.711 20 5 DDBDRO C[C@@H]1C[NH2+][C@@H](C)[C@@H](C)N1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC001341141127 871523954 /nfs/dbraw/zinc/52/39/54/871523954.db2.gz PWTLZCCQOQFRSO-FRRDWIJNSA-N 1 0 320.393 1.994 20 5 DDBDRO [NH3+]C[C@@]12CC[C@H]1CCN2C(=O)COc1cccc([N+](=O)[O-])c1 ZINC001341480482 871675435 /nfs/dbraw/zinc/67/54/35/871675435.db2.gz CQISYGDUBDBYMW-NHYWBVRUSA-N 1 0 305.334 1.313 20 5 DDBDRO [NH3+]C[C@@]12CC[C@H]1CCN2C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC001341483090 871678008 /nfs/dbraw/zinc/67/80/08/871678008.db2.gz MIZDKTKZKKOYRR-BONVTDFDSA-N 1 0 323.324 1.453 20 5 DDBDRO O=C(N[C@H]1COC2(C[NH2+]C2)C1)c1ccc([N+](=O)[O-])cc1Cl ZINC001342214864 872076245 /nfs/dbraw/zinc/07/62/45/872076245.db2.gz HOPGWRAGPXVJOQ-MRVPVSSYSA-N 1 0 311.725 1.109 20 5 DDBDRO [NH3+]C[C@]12CC[C@H]1CCCN2C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC001342959948 872451025 /nfs/dbraw/zinc/45/10/25/872451025.db2.gz KPORYVJSFXPTHO-CZUORRHYSA-N 1 0 303.362 1.867 20 5 DDBDRO CC(C)(CCC(=O)OC[C@@H]1CC[N@@H+]1C1CCOCC1)[N+](=O)[O-] ZINC001345667588 873470439 /nfs/dbraw/zinc/47/04/39/873470439.db2.gz ZNGWXXBCZRJNRW-ZDUSSCGKSA-N 1 0 314.382 1.618 20 5 DDBDRO CN(C)[C@@H](C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001346621115 873827517 /nfs/dbraw/zinc/82/75/17/873827517.db2.gz RUIWHAYHGCROCU-ZBFHGGJFSA-N 1 0 323.393 1.264 20 5 DDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC001347938567 874310923 /nfs/dbraw/zinc/31/09/23/874310923.db2.gz CATJOWPRPUGPHY-MEBBXXQBSA-N 1 0 304.350 1.590 20 5 DDBDRO COc1ccc2[nH+]c(N)n(-c3cnc(OC)c([N+](=O)[O-])c3)c2c1 ZINC001210134011 875240304 /nfs/dbraw/zinc/24/03/04/875240304.db2.gz CQULWFIRGFFFAY-UHFFFAOYSA-N 1 0 315.289 1.928 20 5 DDBDRO CC[NH+](CC)CC[C@@H](C)NC(=O)Nc1c(C)cncc1[N+](=O)[O-] ZINC001216486279 876956196 /nfs/dbraw/zinc/95/61/96/876956196.db2.gz OVWALJAJDIQXCY-GFCCVEGCSA-N 1 0 323.397 1.962 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H]2CCc3cncn3C2)cc1 ZINC001353238321 877208445 /nfs/dbraw/zinc/20/84/45/877208445.db2.gz FRNSFSCNRYWZTF-SWLSCSKDSA-N 1 0 302.334 1.429 20 5 DDBDRO CCN1C[C@@H](C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1=O ZINC001353297394 877234871 /nfs/dbraw/zinc/23/48/71/877234871.db2.gz FVKKAKMZFBBMKF-BXUZGUMPSA-N 1 0 307.350 1.086 20 5 DDBDRO O=[N+]([O-])c1nc(Br)ccc1O[C@@H]1CCC[NH2+]C1 ZINC001218282294 877442380 /nfs/dbraw/zinc/44/23/80/877442380.db2.gz RMONSKUFGJOCOH-SSDOTTSWSA-N 1 0 302.128 1.883 20 5 DDBDRO O=C([O-])C[NH+]1CCC([NH2+]CCc2cccc([N+](=O)[O-])c2)CC1 ZINC001353923312 877648672 /nfs/dbraw/zinc/64/86/72/877648672.db2.gz VUOOYPQQJQPYFW-UHFFFAOYSA-N 1 0 307.350 1.276 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1N1CCC([NH2+]C2CCOCC2)CC1 ZINC001354266374 877843979 /nfs/dbraw/zinc/84/39/79/877843979.db2.gz MONWYBLQFSSEAR-UHFFFAOYSA-N 1 0 309.370 1.066 20 5 DDBDRO Nc1ccc2n(C(=O)C[C@@H](O)C[NH3+])c3ccccc3cc-2c1=O ZINC001219254178 878062202 /nfs/dbraw/zinc/06/22/02/878062202.db2.gz VKPKCEBWWNEHHH-LLVKDONJSA-N 1 0 311.341 1.038 20 5 DDBDRO Nc1ccc2n(C(=O)[C@H]3[NH2+]CC[C@@H]3O)c3ccccc3cc-2c1=O ZINC001219256709 878064802 /nfs/dbraw/zinc/06/48/02/878064802.db2.gz WVHZPNOPQGCSIK-HOTGVXAUSA-N 1 0 323.352 1.052 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001355508971 878589023 /nfs/dbraw/zinc/58/90/23/878589023.db2.gz XVNCWINSDQAWBM-JIMOISOXSA-N 1 0 304.350 1.284 20 5 DDBDRO COc1cccc(CO[C@@H]2C[C@@H]3CC(=O)C[C@H]2[N@@H+]3C)c1[N+](=O)[O-] ZINC001223812898 881107141 /nfs/dbraw/zinc/10/71/41/881107141.db2.gz RLUISUQMTHJRFZ-NJZAAPMLSA-N 1 0 320.345 1.924 20 5 DDBDRO O=[N+]([O-])c1cnc(OC2CC[NH+](C3CC3)CC2)c2[nH]cnc21 ZINC001227690585 883134204 /nfs/dbraw/zinc/13/42/04/883134204.db2.gz IXCOBAFKOKGACC-UHFFFAOYSA-N 1 0 303.322 1.872 20 5 DDBDRO COC(=O)c1cc(OC)c(O[C@@H](C)C[N+](C)(C)C)c(OC)c1 ZINC001228211556 883392455 /nfs/dbraw/zinc/39/24/55/883392455.db2.gz XNORKLVTBUKERL-NSHDSACASA-N 1 0 312.386 1.964 20 5 DDBDRO CSCC(=O)NCCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC001233639244 887179615 /nfs/dbraw/zinc/17/96/15/887179615.db2.gz CQDOUOZLEVMUQR-UHFFFAOYSA-N 1 0 311.407 1.896 20 5 DDBDRO COc1ccc(C[C@H](C)N2C[C@H]([NH3+])C[C@@H](F)C2)c([N+](=O)[O-])c1 ZINC001246575390 892706452 /nfs/dbraw/zinc/70/64/52/892706452.db2.gz CENDUGSILWKWSJ-CYZMBNFOSA-N 1 0 311.357 1.906 20 5 DDBDRO CC(C)N1C[C@H]([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1=O ZINC001254573787 896507229 /nfs/dbraw/zinc/50/72/29/896507229.db2.gz CFMHKXWEQYPOCB-ZIAGYGMSSA-N 1 0 303.362 1.661 20 5 DDBDRO CSCC[C@H]([NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)C(N)=O ZINC001254587778 896517664 /nfs/dbraw/zinc/51/76/64/896517664.db2.gz ZIKSDKMQLLBNGG-YPMHNXCESA-N 1 0 309.391 1.259 20 5 DDBDRO CCC(=O)N1CC[C@H]([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254586973 896517692 /nfs/dbraw/zinc/51/76/92/896517692.db2.gz UOOMJTQHNZWHAA-KBPBESRZSA-N 1 0 303.362 1.663 20 5 DDBDRO COc1cc(N2CCC([NH2+][C@H](C)CCO)CC2)ccc1[N+](=O)[O-] ZINC001256086364 897277520 /nfs/dbraw/zinc/27/75/20/897277520.db2.gz WAJYFEKHMFFDFH-GFCCVEGCSA-N 1 0 323.393 1.933 20 5 DDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC001261466628 899587417 /nfs/dbraw/zinc/58/74/17/899587417.db2.gz PWVVXYNATWPGEK-LLVKDONJSA-N 1 0 306.366 1.838 20 5 DDBDRO Cc1nn(C)c(C(=O)N2CCCC[C@@]3(CC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC001262050224 899913655 /nfs/dbraw/zinc/91/36/55/899913655.db2.gz WAUARJHVQUWUMX-HNNXBMFYSA-N 1 0 321.381 1.243 20 5 DDBDRO C[NH2+]C[C@@H](O)[C@@H](C)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001263111104 900503755 /nfs/dbraw/zinc/50/37/55/900503755.db2.gz RTUHXIMZUIZUDK-IAQYHMDHSA-N 1 0 321.377 1.302 20 5 DDBDRO C[C@@H](NC(=O)C[C@@H]1CSCC[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC001263196771 900529353 /nfs/dbraw/zinc/52/93/53/900529353.db2.gz DIBORUJOXDQLEH-ZYHUDNBSSA-N 1 0 309.391 1.867 20 5 DDBDRO CNc1ccc(C(=O)N2CC[C@]3(C2)CCCC[NH2+]3)cc1[N+](=O)[O-] ZINC001263225434 900539564 /nfs/dbraw/zinc/53/95/64/900539564.db2.gz NNKUWMLQIMWGLV-INIZCTEOSA-N 1 0 318.377 1.995 20 5 DDBDRO O=C(NCCC[N@H+](Cc1ccns1)C1CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001265161713 901647627 /nfs/dbraw/zinc/64/76/27/901647627.db2.gz YFRYRDDFFGQROE-CHWSQXEVSA-N 1 0 324.406 1.279 20 5 DDBDRO CCc1n[nH]c(C(=O)N(C)[C@H]2CC[N@@H+](CC)[C@H](C)C2)c1[N+](=O)[O-] ZINC000444260992 529465174 /nfs/dbraw/zinc/46/51/74/529465174.db2.gz PYIDFOUHGSIRQS-MNOVXSKESA-N 1 0 323.397 1.825 20 5 DDBDRO CC[C@@H]1[C@@H](CO)CC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000451248529 529481416 /nfs/dbraw/zinc/48/14/16/529481416.db2.gz DEGIQWNYCRFFRP-IVMMDQJWSA-N 1 0 324.377 1.427 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@H](O)C[C@H](C)C1 ZINC000452064916 231286572 /nfs/dbraw/zinc/28/65/72/231286572.db2.gz GVJCZNSNDVTOCR-SMDDNHRTSA-N 1 0 321.377 1.935 20 5 DDBDRO CC[C@@]1(O)CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000495209184 529575058 /nfs/dbraw/zinc/57/50/58/529575058.db2.gz APFPIHFKAFOCKW-SWLSCSKDSA-N 1 0 310.350 1.181 20 5 DDBDRO CCC[N@H+](C)C[C@H]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090551565 185302713 /nfs/dbraw/zinc/30/27/13/185302713.db2.gz OZQOCNDWGACBQT-CQSZACIVSA-N 1 0 322.409 1.420 20 5 DDBDRO CN(C)c1cc(F)c(C(=O)N2CCC[N@H+](C)CC2)cc1[N+](=O)[O-] ZINC000283128316 282278699 /nfs/dbraw/zinc/27/86/99/282278699.db2.gz ZKVWLNZWGPGHJT-UHFFFAOYSA-N 1 0 324.356 1.578 20 5 DDBDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)Cc3ccc([N+](=O)[O-])cc3F)[C@@H]2C1 ZINC000425061036 529821855 /nfs/dbraw/zinc/82/18/55/529821855.db2.gz XNIANAIKDMJGLR-SWLSCSKDSA-N 1 0 321.352 1.829 20 5 DDBDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)c3ccc(F)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000425061405 529822674 /nfs/dbraw/zinc/82/26/74/529822674.db2.gz ZBPLUXARQNUZAL-IINYFYTJSA-N 1 0 307.325 1.900 20 5 DDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N(C)CC1([NH+](C)C)CCC1 ZINC000302470550 529932722 /nfs/dbraw/zinc/93/27/22/529932722.db2.gz CUNDIYJLYXTHOA-UHFFFAOYSA-N 1 0 320.393 1.875 20 5 DDBDRO O=C(NC[C@@H]1CC[NH2+]C1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000272969533 282318847 /nfs/dbraw/zinc/31/88/47/282318847.db2.gz BGRUMOKWBIXAOZ-LLVKDONJSA-N 1 0 315.333 1.120 20 5 DDBDRO C[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C[C@@H]1CCCC[C@@H]1O ZINC000305806503 529984264 /nfs/dbraw/zinc/98/42/64/529984264.db2.gz KCGGJXJDSFVEFN-ZFWWWQNUSA-N 1 0 321.377 1.677 20 5 DDBDRO CN(c1nccc(C(N)=O)c1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000291143152 282353017 /nfs/dbraw/zinc/35/30/17/282353017.db2.gz OEZIKIHISYYORV-ZACCUICWSA-N 1 0 319.365 1.150 20 5 DDBDRO C[C@H]1C[C@H](N(C)C(=O)c2cc([N+](=O)[O-])cnc2N)CC[N@@H+]1C ZINC000330790360 232070632 /nfs/dbraw/zinc/07/06/32/232070632.db2.gz AOGWGFBYFQORTF-VHSXEESVSA-N 1 0 307.354 1.127 20 5 DDBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3cccc([N+](=O)[O-])c3N)[C@H]2C1 ZINC000272616692 210015782 /nfs/dbraw/zinc/01/57/82/210015782.db2.gz LHZIWVGJOXKKOY-GWCFXTLKSA-N 1 0 304.350 1.343 20 5 DDBDRO NC(=O)C[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)C1CCCCC1 ZINC000182005901 199373576 /nfs/dbraw/zinc/37/35/76/199373576.db2.gz BMEPMTRRVZXLQO-GFCCVEGCSA-N 1 0 309.370 1.205 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)NCC2(C)CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000272545724 209960008 /nfs/dbraw/zinc/96/00/08/209960008.db2.gz QDRXRHXYSPRWRJ-UHFFFAOYSA-N 1 0 323.397 1.903 20 5 DDBDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000138649371 186018320 /nfs/dbraw/zinc/01/83/20/186018320.db2.gz ARJHYFJUWAIJNK-OUAUKWLOSA-N 1 0 309.370 1.414 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)C[C@H](C)O ZINC000159546683 186126637 /nfs/dbraw/zinc/12/66/37/186126637.db2.gz DMASRMZUCHSRBC-JTQLQIEISA-N 1 0 311.338 1.245 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@H+](C[C@H]1CCOC1)C1CC1 ZINC000159744699 186139251 /nfs/dbraw/zinc/13/92/51/186139251.db2.gz YPFTXDLGCOCICW-GFCCVEGCSA-N 1 0 307.350 1.257 20 5 DDBDRO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000285902556 186566151 /nfs/dbraw/zinc/56/61/51/186566151.db2.gz CYTNPKTUJGWSKR-HFAKWTLXSA-N 1 0 307.350 1.476 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2CSc3ccccc32)c1 ZINC000564854993 304019416 /nfs/dbraw/zinc/01/94/16/304019416.db2.gz VBVQXOUKRFXUJV-DGCLKSJQSA-N 1 0 320.374 1.589 20 5 DDBDRO CN1CCC[C@H]1C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000564857525 304020297 /nfs/dbraw/zinc/02/02/97/304020297.db2.gz UZJZFFIHFUNTII-STQMWFEESA-N 1 0 309.366 1.018 20 5 DDBDRO NC(=O)[C@H]([NH2+]CCNc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000027041429 352214250 /nfs/dbraw/zinc/21/42/50/352214250.db2.gz NPKZLRQJRXBTGC-OAHLLOKOSA-N 1 0 314.345 1.823 20 5 DDBDRO CC[NH+]1CCN(CCNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000031784511 352271437 /nfs/dbraw/zinc/27/14/37/352271437.db2.gz FTPGXIULOAXTCK-UHFFFAOYSA-N 1 0 323.353 1.552 20 5 DDBDRO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000041886259 352317590 /nfs/dbraw/zinc/31/75/90/352317590.db2.gz ORSGZGVQTWBHPD-NSHDSACASA-N 1 0 323.349 1.389 20 5 DDBDRO O=[N+]([O-])c1cccnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC000052325990 352608247 /nfs/dbraw/zinc/60/82/47/352608247.db2.gz LAMAHXPXVLJZLG-UHFFFAOYSA-N 1 0 306.366 1.538 20 5 DDBDRO O=[N+]([O-])c1ccc(-c2noc(N3CC[NH+]4CCC3CC4)n2)cc1 ZINC000344832847 282845551 /nfs/dbraw/zinc/84/55/51/282845551.db2.gz NOISGOYENAKVDP-UHFFFAOYSA-N 1 0 315.333 1.929 20 5 DDBDRO COc1ccc(CC(=O)NCC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000067923301 353075594 /nfs/dbraw/zinc/07/55/94/353075594.db2.gz XLOMFQNIICUZSD-UHFFFAOYSA-N 1 0 321.377 1.604 20 5 DDBDRO COc1ccc(CC(=O)NC[C@H](C)[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000069377289 353159584 /nfs/dbraw/zinc/15/95/84/353159584.db2.gz TVSTUDYNOBPFIT-LBPRGKRZSA-N 1 0 321.377 1.746 20 5 DDBDRO CC[N@H+](C)CCNC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000069425216 353160956 /nfs/dbraw/zinc/16/09/56/353160956.db2.gz IMPSTBZNMGARGM-UHFFFAOYSA-N 1 0 310.354 1.225 20 5 DDBDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000069528144 353164824 /nfs/dbraw/zinc/16/48/24/353164824.db2.gz MXZQHBIWKKQHDJ-CQSZACIVSA-N 1 0 321.377 1.744 20 5 DDBDRO Cc1cc(NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)ncc1[N+](=O)[O-] ZINC000073000319 353231461 /nfs/dbraw/zinc/23/14/61/353231461.db2.gz JIBQCRMLVQKSCB-AWEZNQCLSA-N 1 0 321.425 1.982 20 5 DDBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000174511728 198344063 /nfs/dbraw/zinc/34/40/63/198344063.db2.gz MXGYABOORIPLKP-ZDUSSCGKSA-N 1 0 320.393 1.807 20 5 DDBDRO CCCC[N@H+](CCCO)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000182130309 199390911 /nfs/dbraw/zinc/39/09/11/199390911.db2.gz APVNEQSGQYJOSH-UHFFFAOYSA-N 1 0 309.366 1.678 20 5 DDBDRO Cc1nn(C)c(N2CCN(c3cc[nH+]cc3)CC2)c1[N+](=O)[O-] ZINC000076518358 353424776 /nfs/dbraw/zinc/42/47/76/353424776.db2.gz NUAFXAYEHDSBBY-UHFFFAOYSA-N 1 0 302.338 1.358 20 5 DDBDRO CC[N@H+](CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)C1CC1 ZINC000076967092 353445796 /nfs/dbraw/zinc/44/57/96/353445796.db2.gz BDBJQZKOBMENBA-UHFFFAOYSA-N 1 0 310.329 1.530 20 5 DDBDRO NC(=O)c1ccc(NCCCC[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000076801499 353439172 /nfs/dbraw/zinc/43/91/72/353439172.db2.gz DWQPAXPPFAFIFA-UHFFFAOYSA-N 1 0 322.365 1.218 20 5 DDBDRO Cc1cnc(N2CCC([N@H+]3CCO[C@@H](C)C3)CC2)c([N+](=O)[O-])c1 ZINC000078632060 353526248 /nfs/dbraw/zinc/52/62/48/353526248.db2.gz AAFNLQFZZPJSRD-ZDUSSCGKSA-N 1 0 320.393 1.988 20 5 DDBDRO C[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@H]1CCC[C@@H]1O ZINC000080466985 353609366 /nfs/dbraw/zinc/60/93/66/353609366.db2.gz MJJOEPKTTUQPIO-ZFWWWQNUSA-N 1 0 319.361 1.329 20 5 DDBDRO C[NH+](C)[C@@H](CNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2)C1CC1 ZINC000091481318 353828205 /nfs/dbraw/zinc/82/82/05/353828205.db2.gz RLOTWKWLBAWVCQ-ZDUSSCGKSA-N 1 0 320.349 1.678 20 5 DDBDRO C[C@@H](O)C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C1CCCCC1 ZINC000090526535 353794954 /nfs/dbraw/zinc/79/49/54/353794954.db2.gz VSPWEGBYSJDDKX-CYBMUJFWSA-N 1 0 323.393 1.772 20 5 DDBDRO CCN1CC[NH+](C[C@@H](C)CNc2ncc([N+](=O)[O-])cc2C)CC1 ZINC000092612742 353863303 /nfs/dbraw/zinc/86/33/03/353863303.db2.gz LHWMIYAVXDYZCA-ZDUSSCGKSA-N 1 0 321.425 1.984 20 5 DDBDRO O=[N+]([O-])c1cccc(CS(=O)(=O)NC[C@@H]2CCCC[NH2+]2)c1 ZINC000130942877 354097930 /nfs/dbraw/zinc/09/79/30/354097930.db2.gz SPQWOSWHWOIAFQ-LBPRGKRZSA-N 1 0 313.379 1.156 20 5 DDBDRO CC(C)[NH2+]CCCNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000151752251 354186968 /nfs/dbraw/zinc/18/69/68/354186968.db2.gz ZRYJPEFTSLOWND-UHFFFAOYSA-N 1 0 308.382 1.901 20 5 DDBDRO CC(C)[C@H](CNc1ccc(N)c([N+](=O)[O-])n1)[NH+]1CCN(C)CC1 ZINC000323754320 354541705 /nfs/dbraw/zinc/54/17/05/354541705.db2.gz SPDHTERNMNBJSM-ZDUSSCGKSA-N 1 0 322.413 1.256 20 5 DDBDRO C[C@H]1CCCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H]1CC[NH3+] ZINC000404323809 354675811 /nfs/dbraw/zinc/67/58/11/354675811.db2.gz SSAOMUQQOLOUHV-FZMZJTMJSA-N 1 0 320.393 1.643 20 5 DDBDRO C[C@H]1CCCC[N@@H+]1CCNc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000587224640 354881984 /nfs/dbraw/zinc/88/19/84/354881984.db2.gz VKJPLZDNZVKUQO-NSHDSACASA-N 1 0 308.382 1.956 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000590538594 355109203 /nfs/dbraw/zinc/10/92/03/355109203.db2.gz NLYHGLHOUJMEDD-MRXNPFEDSA-N 1 0 321.377 1.432 20 5 DDBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000590566434 355115056 /nfs/dbraw/zinc/11/50/56/355115056.db2.gz IKSCRGYKJZFMSZ-AAEUAGOBSA-N 1 0 306.366 1.558 20 5 DDBDRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000590404337 355086108 /nfs/dbraw/zinc/08/61/08/355086108.db2.gz ZDCYZYSWUCVLOX-SMDDNHRTSA-N 1 0 307.350 1.525 20 5 DDBDRO CC[C@H]1CN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC[C@H]1[NH3+] ZINC000591347042 355294539 /nfs/dbraw/zinc/29/45/39/355294539.db2.gz GRGKQIRXYVFXAB-DZGCQCFKSA-N 1 0 320.393 1.906 20 5 DDBDRO Cn1nnnc1CC[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000591347931 355294548 /nfs/dbraw/zinc/29/45/48/355294548.db2.gz GDPOMDJUHBUBLZ-AWEZNQCLSA-N 1 0 316.365 1.718 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000591292153 355281159 /nfs/dbraw/zinc/28/11/59/355281159.db2.gz YOEQASWFXVHSMF-NSHDSACASA-N 1 0 320.349 1.039 20 5 DDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000591307960 355286314 /nfs/dbraw/zinc/28/63/14/355286314.db2.gz KPPUTQKYDUHJFF-YGRLFVJLSA-N 1 0 322.365 1.737 20 5 DDBDRO CC(C)(C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCCC1 ZINC000591756969 355377992 /nfs/dbraw/zinc/37/79/92/355377992.db2.gz KJDDCMUUAYAOBZ-AWEZNQCLSA-N 1 0 310.398 1.958 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H]2C[C@H]3OCCC[C@H]23)c1 ZINC000591762919 355379710 /nfs/dbraw/zinc/37/97/10/355379710.db2.gz HBLXCEBMNDCVRO-DTZQCDIJSA-N 1 0 322.361 1.492 20 5 DDBDRO COC1CCC([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000591770763 355381884 /nfs/dbraw/zinc/38/18/84/355381884.db2.gz WMGKJSRTMXVNRA-MOKVOYLWSA-N 1 0 324.377 1.882 20 5 DDBDRO C[C@H](NC(=O)c1cn(CCC[NH3+])nn1)c1cccc([N+](=O)[O-])c1 ZINC000591668788 355357435 /nfs/dbraw/zinc/35/74/35/355357435.db2.gz ZMPAJXDUXQRRIQ-JTQLQIEISA-N 1 0 318.337 1.026 20 5 DDBDRO CN(CCC[NH3+])C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000591679073 355360775 /nfs/dbraw/zinc/36/07/75/355360775.db2.gz PFCMZMPJYOARDK-UHFFFAOYSA-N 1 0 303.322 1.201 20 5 DDBDRO Cc1c(CC(=O)N[C@H]2CC23CC[NH2+]CC3)cccc1[N+](=O)[O-] ZINC000591685919 355362413 /nfs/dbraw/zinc/36/24/13/355362413.db2.gz ZCPHGAXBVLXVEO-AWEZNQCLSA-N 1 0 303.362 1.704 20 5 DDBDRO CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2OC)CC[C@@H]1[NH3+] ZINC000592331046 355560571 /nfs/dbraw/zinc/56/05/71/355560571.db2.gz HHGZJHALSYJHRJ-MFKMUULPSA-N 1 0 307.350 1.803 20 5 DDBDRO CC1(C)C[NH2+]CCN1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000592473882 355593765 /nfs/dbraw/zinc/59/37/65/355593765.db2.gz SWINSCUMYBDFOT-UHFFFAOYSA-N 1 0 318.377 1.168 20 5 DDBDRO [NH3+]C[C@H]1CCCn2ncc(C(=O)Nc3cccc([N+](=O)[O-])c3)c21 ZINC000592477933 355594310 /nfs/dbraw/zinc/59/43/10/355594310.db2.gz LAZYBFZCOKDURC-SNVBAGLBSA-N 1 0 315.333 1.880 20 5 DDBDRO CN(C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)C1CC([NH3+])C1 ZINC000592339516 355562568 /nfs/dbraw/zinc/56/25/68/355562568.db2.gz HEJIIVBXHMKXDP-UHFFFAOYSA-N 1 0 316.317 1.410 20 5 DDBDRO C[C@H]([NH3+])[C@@H]1CCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000592428840 355580049 /nfs/dbraw/zinc/58/00/49/355580049.db2.gz ZJFIWVQHBZUGDD-WDEREUQCSA-N 1 0 307.350 1.535 20 5 DDBDRO C[C@@H]([NH3+])CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000592547273 355623134 /nfs/dbraw/zinc/62/31/34/355623134.db2.gz XHFDMLLRGBWVLU-LLVKDONJSA-N 1 0 306.366 1.275 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N(C)CC[NH+]2CCCCC2)n1 ZINC000593516479 355910724 /nfs/dbraw/zinc/91/07/24/355910724.db2.gz OKQJPCHLNHLPEY-UHFFFAOYSA-N 1 0 322.365 1.699 20 5 DDBDRO C[NH+](C)C1CCN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000593456130 355890533 /nfs/dbraw/zinc/89/05/33/355890533.db2.gz ALWZXOMDVVHDLE-UHFFFAOYSA-N 1 0 309.341 1.829 20 5 DDBDRO CC(C)C[N@H+](C)CCCNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000593479730 355898004 /nfs/dbraw/zinc/89/80/04/355898004.db2.gz IHEBSOLSZUOCDS-UHFFFAOYSA-N 1 0 309.370 1.479 20 5 DDBDRO CCN1C[C@H](C[NH2+]Cc2cc(OC)c(O)cc2[N+](=O)[O-])CC1=O ZINC000593691094 355968641 /nfs/dbraw/zinc/96/86/41/355968641.db2.gz ZNRMCMHMGFFNOH-JTQLQIEISA-N 1 0 323.349 1.267 20 5 DDBDRO C[NH2+]Cc1ccccc1CNC(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000593913714 356057315 /nfs/dbraw/zinc/05/73/15/356057315.db2.gz CUTAOFFVPXXHNW-UHFFFAOYSA-N 1 0 317.349 1.136 20 5 DDBDRO Cc1c(CC(=O)NCCC2CC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000593918130 356059829 /nfs/dbraw/zinc/05/98/29/356059829.db2.gz AWBDNIZJGQGFGI-UHFFFAOYSA-N 1 0 305.378 1.952 20 5 DDBDRO O=C(COc1ccccc1[N+](=O)[O-])NCCC1CC[NH2+]CC1 ZINC000593918812 356060894 /nfs/dbraw/zinc/06/08/94/356060894.db2.gz JSSSQJPXMANIER-UHFFFAOYSA-N 1 0 307.350 1.480 20 5 DDBDRO COc1ccc(CC(=O)NCCC2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000593920077 356061382 /nfs/dbraw/zinc/06/13/82/356061382.db2.gz WVRKRAFDOJLXQX-UHFFFAOYSA-N 1 0 321.377 1.652 20 5 DDBDRO C[C@H](O)C[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000594063065 356103722 /nfs/dbraw/zinc/10/37/22/356103722.db2.gz IGXQALUFLNGGLL-AAEUAGOBSA-N 1 0 310.350 1.180 20 5 DDBDRO COc1ccc(OCC[N@H+](C[C@H](C)O)C2CC2)c([N+](=O)[O-])c1 ZINC000594066321 356103856 /nfs/dbraw/zinc/10/38/56/356103856.db2.gz VPGMSRBSAMKBOS-NSHDSACASA-N 1 0 310.350 1.827 20 5 DDBDRO COc1ccc(CC(=O)N[C@@H](C[NH3+])C(F)(F)F)cc1[N+](=O)[O-] ZINC000594450705 356222007 /nfs/dbraw/zinc/22/20/07/356222007.db2.gz SFNJHLWJUSAJKM-JTQLQIEISA-N 1 0 321.255 1.152 20 5 DDBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000594401869 356198517 /nfs/dbraw/zinc/19/85/17/356198517.db2.gz JPHZVHOFFIRBTQ-MXWKQRLJSA-N 1 0 310.354 1.150 20 5 DDBDRO O=[N+]([O-])c1ccccc1/C=C/CN1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000594614694 356266878 /nfs/dbraw/zinc/26/68/78/356266878.db2.gz ZAISAYMHTCYTDF-ACYLFWIKSA-N 1 0 303.362 1.359 20 5 DDBDRO O=C(NC[C@H]1CCC[NH2+]C1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000594624808 356268513 /nfs/dbraw/zinc/26/85/13/356268513.db2.gz CFFIVJUGWDRQDS-JTQLQIEISA-N 1 0 302.334 1.806 20 5 DDBDRO COC[C@H](CC1CCOCC1)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000595021418 356373609 /nfs/dbraw/zinc/37/36/09/356373609.db2.gz DJVKYZFEJRCLCW-ZDUSSCGKSA-N 1 0 312.370 1.213 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@]1(C)CCC(=O)N1 ZINC000595053470 356376910 /nfs/dbraw/zinc/37/69/10/356376910.db2.gz VLUPIYDSIXKWSJ-BONVTDFDSA-N 1 0 307.350 1.923 20 5 DDBDRO CC(C)[NH2+]CC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000595248417 356417314 /nfs/dbraw/zinc/41/73/14/356417314.db2.gz GVFAUFPJBZKYBY-UHFFFAOYSA-N 1 0 321.377 1.963 20 5 DDBDRO C[NH2+]C[C@@H](C)NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000595261723 356424433 /nfs/dbraw/zinc/42/44/33/356424433.db2.gz ANEIJYQAJHECKK-GFCCVEGCSA-N 1 0 308.382 1.825 20 5 DDBDRO Cc1noc(CN2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)c1[N+](=O)[O-] ZINC000595469721 356504751 /nfs/dbraw/zinc/50/47/51/356504751.db2.gz XENPONFZGWMPRY-NURSFMCSSA-N 1 0 311.338 1.660 20 5 DDBDRO O=C1C[C@H](C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CN1 ZINC000595521968 356531782 /nfs/dbraw/zinc/53/17/82/356531782.db2.gz HHNSATOMPDZWQN-JSGCOSHPSA-N 1 0 303.362 1.910 20 5 DDBDRO CNC(=O)[C@H](C)C[N@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000081579880 192295684 /nfs/dbraw/zinc/29/56/84/192295684.db2.gz SWCXIPBGAUJXEB-GFCCVEGCSA-N 1 0 309.366 1.678 20 5 DDBDRO C[C@@H](NC(=O)CCn1cc([N+](=O)[O-])cn1)C(C)(C)C[NH+](C)C ZINC000081732464 192318270 /nfs/dbraw/zinc/31/82/70/192318270.db2.gz FRWNYWPEDPRJSG-LLVKDONJSA-N 1 0 311.386 1.274 20 5 DDBDRO CCCc1n[nH]c(C(=O)NCC2([NH3+])CCCCC2)c1[N+](=O)[O-] ZINC000236884294 202050649 /nfs/dbraw/zinc/05/06/49/202050649.db2.gz LTWDKUSROLSQLL-UHFFFAOYSA-N 1 0 309.370 1.662 20 5 DDBDRO CO[C@@]1(CO)CCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000595663086 356598707 /nfs/dbraw/zinc/59/87/07/356598707.db2.gz QXDWVMWWJTWTOY-INIZCTEOSA-N 1 0 324.377 1.837 20 5 DDBDRO C[C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@@H]1CCO ZINC000595706888 356617367 /nfs/dbraw/zinc/61/73/67/356617367.db2.gz YEYWJSSLLYJQPZ-TZMCWYRMSA-N 1 0 309.366 1.239 20 5 DDBDRO CN1C[C@@H]([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1=O ZINC000268863038 283203612 /nfs/dbraw/zinc/20/36/12/283203612.db2.gz RVQXHFSIBMMEQM-KBPBESRZSA-N 1 0 303.362 1.736 20 5 DDBDRO CC1(C)OCC[C@H]1C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000596067170 356760038 /nfs/dbraw/zinc/76/00/38/356760038.db2.gz UPWYFRXMPIEPTL-GXTWGEPZSA-N 1 0 324.377 1.739 20 5 DDBDRO CC(C)[C@@H](CNc1cc[nH]c(=O)c1[N+](=O)[O-])[NH+]1CCN(C)CC1 ZINC000596070146 356761318 /nfs/dbraw/zinc/76/13/18/356761318.db2.gz OGNXKTOXPVPHGO-CYBMUJFWSA-N 1 0 323.397 1.379 20 5 DDBDRO NC(=O)c1cc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000596081869 356766113 /nfs/dbraw/zinc/76/61/13/356766113.db2.gz AXYKFFQPWVOZEN-NEPJUHHUSA-N 1 0 304.350 1.732 20 5 DDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCOCCF)n1 ZINC000596093463 356769865 /nfs/dbraw/zinc/76/98/65/356769865.db2.gz FCVHKUSAYBKTHY-VXGBXAGGSA-N 1 0 300.334 1.851 20 5 DDBDRO CC(C)[C@H]([NH3+])CCNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000596102395 356772089 /nfs/dbraw/zinc/77/20/89/356772089.db2.gz IGRKDPBQXICQAT-GFCCVEGCSA-N 1 0 309.366 1.829 20 5 DDBDRO C[N@@H+]1CCCC12CCN(c1ccc([N+](=O)[O-])c(C(N)=O)c1)CC2 ZINC000596183044 356805177 /nfs/dbraw/zinc/80/51/77/356805177.db2.gz WMGGSRKCLGFNML-UHFFFAOYSA-N 1 0 318.377 1.758 20 5 DDBDRO CC[C@@H](C)[NH+]1CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000596258905 356835208 /nfs/dbraw/zinc/83/52/08/356835208.db2.gz NWNZHZSDQMNKRA-LLVKDONJSA-N 1 0 306.366 1.614 20 5 DDBDRO CN1CCC([N@@H+]2CC[C@@H](Nc3cc[nH]c(=O)c3[N+](=O)[O-])C2)CC1 ZINC000596123074 356781368 /nfs/dbraw/zinc/78/13/68/356781368.db2.gz MJUZAAZTHXYMEL-LLVKDONJSA-N 1 0 321.381 1.276 20 5 DDBDRO NC(=O)c1cc(N2CC[C@H]([NH+]3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000596125024 356782635 /nfs/dbraw/zinc/78/26/35/356782635.db2.gz WXUOWAQFUVLMSP-ZDUSSCGKSA-N 1 0 318.377 1.758 20 5 DDBDRO CN(CCC[NH+](C)C)CCNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000596425158 356875561 /nfs/dbraw/zinc/87/55/61/356875561.db2.gz NMIQDEAIRHCSNL-UHFFFAOYSA-N 1 0 315.805 1.939 20 5 DDBDRO CN(CC1C[NH+](C)C1)c1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000596454341 356884740 /nfs/dbraw/zinc/88/47/40/356884740.db2.gz SBZNDRGXZIBNJF-UHFFFAOYSA-N 1 0 318.377 1.485 20 5 DDBDRO Cc1ccnc(N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c1[N+](=O)[O-] ZINC000596537458 356910096 /nfs/dbraw/zinc/91/00/96/356910096.db2.gz GPAZZBLEXFKPBT-CYBMUJFWSA-N 1 0 306.366 1.334 20 5 DDBDRO C[NH+](C)CCC[C@@H]1CN(c2ccc(N)c([N+](=O)[O-])n2)CCO1 ZINC000596564089 356917834 /nfs/dbraw/zinc/91/78/34/356917834.db2.gz BXHVKOYNIFZKBL-LLVKDONJSA-N 1 0 309.370 1.119 20 5 DDBDRO COc1cc(C(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000237231616 202199302 /nfs/dbraw/zinc/19/93/02/202199302.db2.gz QTJRBHMCBOSVQQ-CMPLNLGQSA-N 1 0 307.350 1.945 20 5 DDBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C1([C@H](C)O)CC1 ZINC000597234710 357103992 /nfs/dbraw/zinc/10/39/92/357103992.db2.gz OYSLMBBUCDJELE-QWRGUYRKSA-N 1 0 307.350 1.815 20 5 DDBDRO [NH3+]CCN(Cc1cc2n(n1)CCC2)c1ccccc1[N+](=O)[O-] ZINC000597127059 357067804 /nfs/dbraw/zinc/06/78/04/357067804.db2.gz KACFUUZLDQTJRK-UHFFFAOYSA-N 1 0 301.350 1.703 20 5 DDBDRO COC(=O)[C@@H]1OCC[C@@H]1[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000597192444 357089474 /nfs/dbraw/zinc/08/94/74/357089474.db2.gz MMDOHPDZJPWYSR-MDUKQBBOSA-N 1 0 306.318 1.528 20 5 DDBDRO COC(=O)[C@H]1C[C@@H]([NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000597217937 357097372 /nfs/dbraw/zinc/09/73/72/357097372.db2.gz JYEMSVUDHKXATA-JGZJWPJOSA-N 1 0 322.317 1.407 20 5 DDBDRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000597700544 357290975 /nfs/dbraw/zinc/29/09/75/357290975.db2.gz NFRFUITUFPBINS-QWHCGFSZSA-N 1 0 321.377 1.915 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H]([NH+](C)C)[C@H]1C ZINC000597699306 357290995 /nfs/dbraw/zinc/29/09/95/357290995.db2.gz JMBXFRHYHGJWHX-MFKMUULPSA-N 1 0 307.350 1.768 20 5 DDBDRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1ccc([N+](=O)[O-])cn1)C2 ZINC000597716682 357299873 /nfs/dbraw/zinc/29/98/73/357299873.db2.gz RREHIXCMCPSYTH-OAHLLOKOSA-N 1 0 304.350 1.548 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC2(C1)CC[NH+](C)CC2 ZINC000597662934 357273819 /nfs/dbraw/zinc/27/38/19/357273819.db2.gz CANBQOIRCWBDJJ-UHFFFAOYSA-N 1 0 306.366 1.491 20 5 DDBDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)c1c([N+](=O)[O-])cnn1C ZINC000598261914 357512184 /nfs/dbraw/zinc/51/21/84/357512184.db2.gz ILQBTOJNEUHMRN-LLVKDONJSA-N 1 0 309.370 1.179 20 5 DDBDRO COC(=O)c1ccnc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1[N+](=O)[O-] ZINC000598636459 357664663 /nfs/dbraw/zinc/66/46/63/357664663.db2.gz XQXDYCOMIAYAMM-FGWVZKOKSA-N 1 0 320.349 1.814 20 5 DDBDRO C[C@@H]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H]1CO ZINC000598648474 357669301 /nfs/dbraw/zinc/66/93/01/357669301.db2.gz RYJWXIMRZIMVHH-MNOVXSKESA-N 1 0 304.350 1.921 20 5 DDBDRO [NH3+][C@@]12CCC[C@H]1CN(C(=O)COc1ccc([N+](=O)[O-])cc1)C2 ZINC000598667443 357677565 /nfs/dbraw/zinc/67/75/65/357677565.db2.gz HIGMJPKHUJSQLL-XHDPSFHLSA-N 1 0 305.334 1.313 20 5 DDBDRO C[C@@H]1CCCN1C(=O)CC[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000347788939 283277685 /nfs/dbraw/zinc/27/76/85/283277685.db2.gz KMUVNKVVGLDORD-GFCCVEGCSA-N 1 0 318.377 1.749 20 5 DDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000598680450 357683679 /nfs/dbraw/zinc/68/36/79/357683679.db2.gz BWNSGVKLMZPVSO-BFQNTYOBSA-N 1 0 318.377 1.735 20 5 DDBDRO CC(C)(CCC[NH3+])NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598914012 357756973 /nfs/dbraw/zinc/75/69/73/357756973.db2.gz UXSPPWZPTPBSLL-UHFFFAOYSA-N 1 0 308.338 1.167 20 5 DDBDRO CC(C)c1ncc2c(n1)CC[N@@H+](CCn1ccc([N+](=O)[O-])n1)C2 ZINC000598936104 357763660 /nfs/dbraw/zinc/76/36/60/357763660.db2.gz BLNTZNMPYBIFIV-UHFFFAOYSA-N 1 0 316.365 1.763 20 5 DDBDRO Cn1ccnc1[C@H](NCC1COC1)c1ccc([N+](=O)[O-])cc1 ZINC000599079330 357808858 /nfs/dbraw/zinc/80/88/58/357808858.db2.gz DPNXININDUOBQN-CQSZACIVSA-N 1 0 302.334 1.654 20 5 DDBDRO COC(=O)c1ccnc(NC[C@H]2CCCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000599142321 357828274 /nfs/dbraw/zinc/82/82/74/357828274.db2.gz UQCYPHJXQPYMID-LLVKDONJSA-N 1 0 322.365 1.920 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000599552355 357971290 /nfs/dbraw/zinc/97/12/90/357971290.db2.gz AKHXGIBCWUJAQU-OLZOCXBDSA-N 1 0 309.391 1.726 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCC1([NH3+])CCOCC1 ZINC000599607295 357991156 /nfs/dbraw/zinc/99/11/56/357991156.db2.gz VRWFPKQWMHHVMT-UHFFFAOYSA-N 1 0 322.365 1.841 20 5 DDBDRO COC(=O)[C@](C)(NCc1cn(C)cn1)c1cccc([N+](=O)[O-])c1 ZINC000599654053 358008411 /nfs/dbraw/zinc/00/84/11/358008411.db2.gz QYGFOHLLSIJKMT-OAHLLOKOSA-N 1 0 318.333 1.506 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]([N@@H+]3CC[C@H](O)C3)C2)c1 ZINC000599939519 358086105 /nfs/dbraw/zinc/08/61/05/358086105.db2.gz WCQSNWKSFXQUOO-STQMWFEESA-N 1 0 319.361 1.184 20 5 DDBDRO C[N@@H+]1CCCC[C@@H](CNC(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000600312438 358192280 /nfs/dbraw/zinc/19/22/80/358192280.db2.gz SFCYNPRZEYVDNE-ZDUSSCGKSA-N 1 0 320.393 1.855 20 5 DDBDRO C[C@H]([NH2+]CCN1C(=O)NC(C)(C)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000180404548 199154572 /nfs/dbraw/zinc/15/45/72/199154572.db2.gz TYULPZDQBYXWGJ-JTQLQIEISA-N 1 0 320.349 1.576 20 5 DDBDRO COc1ccc(C(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000237351806 202241253 /nfs/dbraw/zinc/24/12/53/202241253.db2.gz SNXAXQUXQOAUSU-MFKMUULPSA-N 1 0 307.350 1.803 20 5 DDBDRO C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C1(C(N)=O)CCCC1 ZINC000180700056 199199303 /nfs/dbraw/zinc/19/93/03/199199303.db2.gz GEMOSGFIZZIGHO-ZDUSSCGKSA-N 1 0 307.350 1.358 20 5 DDBDRO Cc1c(NC(=O)c2cnn(CC[NH+](C)C)c2)cccc1[N+](=O)[O-] ZINC000600892392 358341142 /nfs/dbraw/zinc/34/11/42/358341142.db2.gz OELWBBXICPHTBM-UHFFFAOYSA-N 1 0 317.349 1.914 20 5 DDBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601168999 358431053 /nfs/dbraw/zinc/43/10/53/358431053.db2.gz IGUPSYAVHGKOOB-HTQZYQBOSA-N 1 0 321.303 1.876 20 5 DDBDRO CCN1C[C@H](Nc2ccnc3ccc([N+](=O)[O-])cc32)CC1=O ZINC000601170752 358431490 /nfs/dbraw/zinc/43/14/90/358431490.db2.gz DNJXTUPDUZIIBZ-SNVBAGLBSA-N 1 0 300.318 1.598 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000601556407 358599326 /nfs/dbraw/zinc/59/93/26/358599326.db2.gz LEQTXPUBNFIWTC-BXUZGUMPSA-N 1 0 319.361 1.818 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000601556413 358599455 /nfs/dbraw/zinc/59/94/55/358599455.db2.gz LEQTXPUBNFIWTC-SMDDNHRTSA-N 1 0 319.361 1.818 20 5 DDBDRO O=[N+]([O-])c1nccn1C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000601961866 358754586 /nfs/dbraw/zinc/75/45/86/358754586.db2.gz AYGQTNSNRPSYHX-AWEZNQCLSA-N 1 0 302.334 1.211 20 5 DDBDRO COc1ccc(CNC(=O)[C@@H]2CCCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000602078897 358802925 /nfs/dbraw/zinc/80/29/25/358802925.db2.gz BNJDYCAMEJLDJG-LBPRGKRZSA-N 1 0 307.350 1.704 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@@H]([NH+](C)C)C2(C)C)n1 ZINC000602174201 358863288 /nfs/dbraw/zinc/86/32/88/358863288.db2.gz SCJIWBKMIMMLEW-WDEREUQCSA-N 1 0 309.370 1.270 20 5 DDBDRO CCC[C@@H](C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1)OC ZINC000602437532 358975536 /nfs/dbraw/zinc/97/55/36/358975536.db2.gz BGSDRJFDTAVOCR-AWEZNQCLSA-N 1 0 308.382 1.927 20 5 DDBDRO Cc1nn(CCC(=O)N2CC[NH2+]C[C@H]2C(C)C)c(C)c1[N+](=O)[O-] ZINC000602528456 359028441 /nfs/dbraw/zinc/02/84/41/359028441.db2.gz MYUCJWKAUOSFEC-ZDUSSCGKSA-N 1 0 323.397 1.255 20 5 DDBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000602534875 359032387 /nfs/dbraw/zinc/03/23/87/359032387.db2.gz USVHNDPJDCILHF-CQSZACIVSA-N 1 0 303.362 1.928 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CC3(CO)CC3)CC2)cn1 ZINC000602562505 359046924 /nfs/dbraw/zinc/04/69/24/359046924.db2.gz CFHGFDOGLLSAKF-UHFFFAOYSA-N 1 0 306.366 1.321 20 5 DDBDRO CO[C@@H]1C[NH2+][C@](C)(C(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000602457952 358991314 /nfs/dbraw/zinc/99/13/14/358991314.db2.gz JXOZLNDWKIJGSN-WFASDCNBSA-N 1 0 307.350 1.021 20 5 DDBDRO COC[C@@]1(CNC(=O)c2c(F)cccc2[N+](=O)[O-])CCC[NH2+]1 ZINC000602492988 359013874 /nfs/dbraw/zinc/01/38/74/359013874.db2.gz VMPREIUIJHSNCS-AWEZNQCLSA-N 1 0 311.313 1.232 20 5 DDBDRO C[C@@H](O)C[C@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602604554 359068308 /nfs/dbraw/zinc/06/83/08/359068308.db2.gz YURQEXQSQSUTAT-NWDGAFQWSA-N 1 0 308.382 1.708 20 5 DDBDRO COC(=O)[C@@H](C)C[N@H+](CCn1c(C)ncc1[N+](=O)[O-])C1CC1 ZINC000602771405 359179951 /nfs/dbraw/zinc/17/99/51/359179951.db2.gz IVFRJIYGRSDWIS-JTQLQIEISA-N 1 0 310.354 1.373 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000602775668 359181769 /nfs/dbraw/zinc/18/17/69/359181769.db2.gz MAFJAVFFTSAAQN-ONGXEEELSA-N 1 0 322.287 1.487 20 5 DDBDRO CC[N@@H+]1CC[C@@H](N(C)CCn2c(C)ncc2[N+](=O)[O-])C[C@@H]1C ZINC000602775854 359182113 /nfs/dbraw/zinc/18/21/13/359182113.db2.gz CIDNRSDEAMTOPM-GXTWGEPZSA-N 1 0 309.414 1.904 20 5 DDBDRO Cn1cc(CCC[NH2+][C@@](C)(CO)c2cccc([N+](=O)[O-])c2)cn1 ZINC000602734060 359155884 /nfs/dbraw/zinc/15/58/84/359155884.db2.gz XQTLRFMBEUYRRB-INIZCTEOSA-N 1 0 318.377 1.758 20 5 DDBDRO C[C@@](CO)([NH2+]CCCn1ccnc1)c1cccc([N+](=O)[O-])c1 ZINC000602961529 359324175 /nfs/dbraw/zinc/32/41/75/359324175.db2.gz BHDUKAPHUGTZFL-HNNXBMFYSA-N 1 0 304.350 1.679 20 5 DDBDRO COc1cc([N+](=O)[O-])cn(CC[N@H+]2C[C@H](C)C[C@H](C)C2)c1=O ZINC000603356601 359590231 /nfs/dbraw/zinc/59/02/31/359590231.db2.gz BNDXTKHCVDDRNA-TXEJJXNPSA-N 1 0 309.366 1.743 20 5 DDBDRO Cn1cc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c([N+](=O)[O-])n1 ZINC000603430024 359635318 /nfs/dbraw/zinc/63/53/18/359635318.db2.gz QIVYWIIUNRJICL-STQMWFEESA-N 1 0 307.398 1.540 20 5 DDBDRO Cn1cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)c([N+](=O)[O-])n1 ZINC000603430806 359635551 /nfs/dbraw/zinc/63/55/51/359635551.db2.gz VAIXNJCVJXTNOS-MJBXVCDLSA-N 1 0 323.397 1.189 20 5 DDBDRO C[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)C[NH2+]1 ZINC000237438857 202265264 /nfs/dbraw/zinc/26/52/64/202265264.db2.gz GNCJUCVYANRARE-ZJUUUORDSA-N 1 0 311.769 2.000 20 5 DDBDRO COCC(=O)NC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000603681782 359671835 /nfs/dbraw/zinc/67/18/35/359671835.db2.gz FRLNIJRGDWLCIP-UHFFFAOYSA-N 1 0 307.350 1.322 20 5 DDBDRO CSC[C@H](O)C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000187826628 200161952 /nfs/dbraw/zinc/16/19/52/200161952.db2.gz LJQOPUPTBNKETB-CQSZACIVSA-N 1 0 311.407 1.441 20 5 DDBDRO C[N@@H+]1CCC[C@@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000604198286 359725814 /nfs/dbraw/zinc/72/58/14/359725814.db2.gz FLIZECBHDHLYLN-SNVBAGLBSA-N 1 0 321.333 1.190 20 5 DDBDRO CC[NH+](CC)CCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000188211783 200209589 /nfs/dbraw/zinc/20/95/89/200209589.db2.gz PNDOULAHKGNSKG-UHFFFAOYSA-N 1 0 305.334 1.923 20 5 DDBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@@]1(CCO)CCOC1 ZINC000579375916 422759922 /nfs/dbraw/zinc/75/99/22/422759922.db2.gz BDIXKEUFSNVROA-GOEBONIOSA-N 1 0 306.362 1.961 20 5 DDBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N[C@@H]1CCC[NH2+]C1 ZINC000237852021 202370538 /nfs/dbraw/zinc/37/05/38/202370538.db2.gz UVNQGIXXKOZHRZ-MRVPVSSYSA-N 1 0 319.770 1.279 20 5 DDBDRO O=[N+]([O-])c1ccccc1C[NH2+]CCCN1CCCS1(=O)=O ZINC000609223524 360275373 /nfs/dbraw/zinc/27/53/73/360275373.db2.gz BZJWDBNTVFGXSI-UHFFFAOYSA-N 1 0 313.379 1.110 20 5 DDBDRO Cc1nc2n(n1)C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)CC2 ZINC000609599829 360331684 /nfs/dbraw/zinc/33/16/84/360331684.db2.gz JWYPMJWJPUESGT-ZDUSSCGKSA-N 1 0 301.350 1.642 20 5 DDBDRO [NH3+][C@@H](C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)C1CCC1 ZINC000423418537 283544097 /nfs/dbraw/zinc/54/40/97/283544097.db2.gz UUPIIVIABIBYMX-SMDDNHRTSA-N 1 0 319.365 1.130 20 5 DDBDRO CC1(C)C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C(C)(C)CO1 ZINC000610369645 360422574 /nfs/dbraw/zinc/42/25/74/360422574.db2.gz MHDHDNZYMKIAKQ-GFCCVEGCSA-N 1 0 312.370 1.042 20 5 DDBDRO CC[N@@H+]1CCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@@H]1C ZINC000611271194 360685992 /nfs/dbraw/zinc/68/59/92/360685992.db2.gz UQVLJTFLXLWSBS-LBPRGKRZSA-N 1 0 321.377 1.892 20 5 DDBDRO C[NH2+]C[C@H]1CCCN1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000430599084 283600470 /nfs/dbraw/zinc/60/04/70/283600470.db2.gz PWJGXNWJNXZGMZ-CQSZACIVSA-N 1 0 318.377 1.168 20 5 DDBDRO CC1(C)[C@H]([NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]2CCO[C@@H]21 ZINC000271899463 209308847 /nfs/dbraw/zinc/30/88/47/209308847.db2.gz VHSVESKTYMEWJP-KMUNFCNLSA-N 1 0 319.361 1.936 20 5 DDBDRO CC(C)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000565887609 304100943 /nfs/dbraw/zinc/10/09/43/304100943.db2.gz XIUHBCHRUULSTM-UMVBOHGHSA-N 1 0 310.398 1.957 20 5 DDBDRO Cc1ccc(NCCCNC(=O)CC[C@@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000193265593 201015734 /nfs/dbraw/zinc/01/57/34/201015734.db2.gz CFTCHCIGMGZQRT-GFCCVEGCSA-N 1 0 308.382 1.949 20 5 DDBDRO COc1cc(OCC(=O)N[C@H]2CCC[NH2+][C@@H]2C)ccc1[N+](=O)[O-] ZINC000193601839 201084101 /nfs/dbraw/zinc/08/41/01/201084101.db2.gz FRQCLPOTAVHMFH-PWSUYJOCSA-N 1 0 323.349 1.239 20 5 DDBDRO C[C@@H](c1ccccc1)[C@H](CO)[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000613390051 361401910 /nfs/dbraw/zinc/40/19/10/361401910.db2.gz VOHUMETYJRRBLN-JSGCOSHPSA-N 1 0 304.350 1.546 20 5 DDBDRO Nc1ccc([N+](=O)[O-])c(N2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000193465726 283667211 /nfs/dbraw/zinc/66/72/11/283667211.db2.gz XSVIKZJKEDJLGK-GFCCVEGCSA-N 1 0 306.366 1.336 20 5 DDBDRO C[NH+]1CC2(C1)CCN(C(=O)c1c[nH]c3cc([N+](=O)[O-])ccc13)C2 ZINC000618920900 363801619 /nfs/dbraw/zinc/80/16/19/363801619.db2.gz JTSCQVSCXNOORL-UHFFFAOYSA-N 1 0 314.345 1.854 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(OCCCO)CC1 ZINC000619531655 364050073 /nfs/dbraw/zinc/05/00/73/364050073.db2.gz AHQFKHUXOCVEIU-UHFFFAOYSA-N 1 0 324.377 1.967 20 5 DDBDRO Cc1ccc(C(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)cc1[N+](=O)[O-] ZINC000619873732 364170752 /nfs/dbraw/zinc/17/07/52/364170752.db2.gz SVMCDIPZUMDFES-AWEZNQCLSA-N 1 0 318.377 1.023 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C2(c3cccc(F)c3)CC2)c1 ZINC000271783368 209212026 /nfs/dbraw/zinc/21/20/26/209212026.db2.gz LYQXYTYVURMCFU-CQSZACIVSA-N 1 0 320.324 1.570 20 5 DDBDRO C[C@H]1CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000261676126 203092591 /nfs/dbraw/zinc/09/25/91/203092591.db2.gz CYVRCMXUPTZOFI-STQMWFEESA-N 1 0 321.377 1.950 20 5 DDBDRO CCc1n[nH]c(C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)c1[N+](=O)[O-] ZINC000264580223 204008118 /nfs/dbraw/zinc/00/81/18/204008118.db2.gz CHNPREUXKLHVAF-LLVKDONJSA-N 1 0 321.381 1.581 20 5 DDBDRO C[C@H](CNc1ncc([N+](=O)[O-])c(N)n1)[N@H+](C)Cc1ccccc1 ZINC000264722824 204104165 /nfs/dbraw/zinc/10/41/65/204104165.db2.gz HVNODJLPFHWTBZ-LLVKDONJSA-N 1 0 316.365 1.899 20 5 DDBDRO C[C@@H](CNc1ncc([N+](=O)[O-])c(N)n1)[N@H+](C)Cc1ccccc1 ZINC000264722826 204104736 /nfs/dbraw/zinc/10/47/36/204104736.db2.gz HVNODJLPFHWTBZ-NSHDSACASA-N 1 0 316.365 1.899 20 5 DDBDRO CC[N@@H+]1CCN(C(=O)COc2ccc([N+](=O)[O-])c(C)c2)[C@@H](C)C1 ZINC000288243906 220040169 /nfs/dbraw/zinc/04/01/69/220040169.db2.gz DUBJXGUIZFLICF-ZDUSSCGKSA-N 1 0 321.377 1.835 20 5 DDBDRO O=C(Cn1ccc([N+](=O)[O-])n1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000266115838 205111025 /nfs/dbraw/zinc/11/10/25/205111025.db2.gz IBMVMGQWSLGASP-CYBMUJFWSA-N 1 0 321.381 1.126 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](CO)C[NH+]1CCCCC1 ZINC000288574854 220252083 /nfs/dbraw/zinc/25/20/83/220252083.db2.gz RDFOOIDBPMNEJX-CYBMUJFWSA-N 1 0 321.377 1.480 20 5 DDBDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000042538774 183283399 /nfs/dbraw/zinc/28/33/99/183283399.db2.gz GSHZGBPCNUWTDR-GFCCVEGCSA-N 1 0 311.386 1.418 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](C)[C@H](C)CO ZINC000274007801 211265681 /nfs/dbraw/zinc/26/56/81/211265681.db2.gz LIYLIEYESVYSNE-VXGBXAGGSA-N 1 0 309.366 1.838 20 5 DDBDRO C[C@@H]([NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@H](C)CO ZINC000274007851 211264402 /nfs/dbraw/zinc/26/44/02/211264402.db2.gz LLONWXSQNXNPIM-NXEZZACHSA-N 1 0 306.322 1.751 20 5 DDBDRO CO[C@H]1C[C@@H](CN(C)C(=O)c2cccc([N+](=O)[O-])c2)[N@H+](C)C1 ZINC000284495595 218052002 /nfs/dbraw/zinc/05/20/02/218052002.db2.gz CDWNOOZLBUPUDB-KBPBESRZSA-N 1 0 307.350 1.386 20 5 DDBDRO Cc1ccc(CN2CCO[C@@H]3CC[N@@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000284719172 218148592 /nfs/dbraw/zinc/14/85/92/218148592.db2.gz UTHHUGJRDMOMSA-JKSUJKDBSA-N 1 0 305.378 1.808 20 5 DDBDRO COc1ccc(CNC(=O)C[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000268555726 206797099 /nfs/dbraw/zinc/79/70/99/206797099.db2.gz NQAHWPVDJHWKLA-UHFFFAOYSA-N 1 0 321.377 1.952 20 5 DDBDRO Cc1sc(C(=O)NC[C@](C)(O)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000352124955 284803680 /nfs/dbraw/zinc/80/36/80/284803680.db2.gz CBUSVEKGBDTYKD-CYBMUJFWSA-N 1 0 315.395 1.397 20 5 DDBDRO CCCc1n[nH]c(C(=O)NCCC2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000109621360 194277342 /nfs/dbraw/zinc/27/73/42/194277342.db2.gz WZADTCLZLANJEP-UHFFFAOYSA-N 1 0 323.397 1.732 20 5 DDBDRO CC1(C2CC2)CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000352176457 284842405 /nfs/dbraw/zinc/84/24/05/284842405.db2.gz OZPHGAHQCLSQJU-CQSZACIVSA-N 1 0 308.382 1.664 20 5 DDBDRO COC(=O)c1cc(C(=O)NCC[NH2+]C(C)(C)C)cc([N+](=O)[O-])c1 ZINC000340578013 251120348 /nfs/dbraw/zinc/12/03/48/251120348.db2.gz HGEZSDUZCPQGEU-UHFFFAOYSA-N 1 0 323.349 1.499 20 5 DDBDRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000341064908 251364626 /nfs/dbraw/zinc/36/46/26/251364626.db2.gz HKNBFJXEHZCWPL-RYUDHWBXSA-N 1 0 308.382 1.926 20 5 DDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H]([NH2+]C)C2)cc1OC ZINC000269111097 207249163 /nfs/dbraw/zinc/24/91/63/207249163.db2.gz DWUXZHMBZGJLOC-SNVBAGLBSA-N 1 0 323.349 1.436 20 5 DDBDRO C[NH2+][C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C1 ZINC000269103803 207244105 /nfs/dbraw/zinc/24/41/05/207244105.db2.gz ATHVAUIFSOQRCP-GFCCVEGCSA-N 1 0 318.377 1.629 20 5 DDBDRO CCc1ccc(S(=O)(=O)N[C@@H](C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000567850861 304247910 /nfs/dbraw/zinc/24/79/10/304247910.db2.gz VZQCRNXQBOZCHZ-LBPRGKRZSA-N 1 0 313.379 1.173 20 5 DDBDRO CNc1nc(C(=O)NC2CC[NH+](C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000454342132 533076166 /nfs/dbraw/zinc/07/61/66/533076166.db2.gz ADNKCZGKODSJKU-UHFFFAOYSA-N 1 0 321.381 1.634 20 5 DDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H]([NH3+])C2)cc1OC ZINC000157958790 197230018 /nfs/dbraw/zinc/23/00/18/197230018.db2.gz YCJXWZYFTXTSQK-JTQLQIEISA-N 1 0 323.349 1.565 20 5 DDBDRO O=[N+]([O-])c1cccnc1N1CC[NH+](CC[C@H]2CCOC2)CC1 ZINC000453581890 285165992 /nfs/dbraw/zinc/16/59/92/285165992.db2.gz VLAKUHVCZFAKKR-ZDUSSCGKSA-N 1 0 306.366 1.538 20 5 DDBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CCN2CCCC2)n1 ZINC000447522442 285169785 /nfs/dbraw/zinc/16/97/85/285169785.db2.gz YRSXBJKYRKTBIX-KGLIPLIRSA-N 1 0 307.398 1.960 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2C[C@H](O)C[C@H]2c2ccccc2)c1 ZINC000411938076 285189501 /nfs/dbraw/zinc/18/95/01/285189501.db2.gz JOCWHSLPFUPVNQ-CABCVRRESA-N 1 0 302.334 1.599 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000415492388 533140361 /nfs/dbraw/zinc/14/03/61/533140361.db2.gz BTPSLEHTFAPISW-ZYHUDNBSSA-N 1 0 320.349 1.819 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)c1 ZINC000449722137 533214978 /nfs/dbraw/zinc/21/49/78/533214978.db2.gz PJKYARVZLFPSTG-JTQLQIEISA-N 1 0 321.255 1.613 20 5 DDBDRO CO[C@@H](C[NH3+])C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000289499219 221021066 /nfs/dbraw/zinc/02/10/66/221021066.db2.gz GWYQEYDCZBZSGD-NSHDSACASA-N 1 0 301.730 1.180 20 5 DDBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000289809736 221241045 /nfs/dbraw/zinc/24/10/45/221241045.db2.gz PIMIVFVGQKPQQH-NWDGAFQWSA-N 1 0 321.402 1.755 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC000414658337 224369135 /nfs/dbraw/zinc/36/91/35/224369135.db2.gz QMXSLCKBFJIAJQ-GFCCVEGCSA-N 1 0 308.338 1.865 20 5 DDBDRO CO[C@@H]1C[C@@H]([N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)C12CCC2 ZINC000451864619 533529878 /nfs/dbraw/zinc/52/98/78/533529878.db2.gz ZXEVRKUAACTEAM-ZIAGYGMSSA-N 1 0 321.377 1.646 20 5 DDBDRO COc1ccc(CNC(=O)N[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000417198985 533625044 /nfs/dbraw/zinc/62/50/44/533625044.db2.gz XKVCVBHROFUXIZ-LLVKDONJSA-N 1 0 308.338 1.155 20 5 DDBDRO COc1ccc(CNC(=O)N[C@@H]2CC[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000417177974 533629598 /nfs/dbraw/zinc/62/95/98/533629598.db2.gz DFGOMBXRELFVBI-CMPLNLGQSA-N 1 0 322.365 1.530 20 5 DDBDRO COc1ccc(CNC(=O)[C@@H]2C[C@@]23CC[NH2+]C3)cc1[N+](=O)[O-] ZINC000444156173 533640619 /nfs/dbraw/zinc/64/06/19/533640619.db2.gz KVWWWBRARKELAB-XHDPSFHLSA-N 1 0 305.334 1.219 20 5 DDBDRO O=C(c1n[nH]cc1[N+](=O)[O-])N1CCC(C[NH+]2CCCC2)CC1 ZINC000164271999 132133429 /nfs/dbraw/zinc/13/34/29/132133429.db2.gz XCCYBRJCVNSLCY-UHFFFAOYSA-N 1 0 307.354 1.266 20 5 DDBDRO C[C@@H](CCS(C)(=O)=O)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000569000664 304329329 /nfs/dbraw/zinc/32/93/29/304329329.db2.gz MKCKPMAFMXHUEK-GWCFXTLKSA-N 1 0 312.391 1.995 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])c(=O)n(C[C@H]2CC[C@H](C[NH3+])CC2)c1 ZINC000569481601 304356931 /nfs/dbraw/zinc/35/69/31/304356931.db2.gz MHGOTDWMAYSHJK-XYPYZODXSA-N 1 0 323.349 1.308 20 5 DDBDRO CN(C(=O)C[N@@H+]1CCC[C@@]1(C)CO)c1ccc([N+](=O)[O-])cc1 ZINC000569862155 304383625 /nfs/dbraw/zinc/38/36/25/304383625.db2.gz ZXCZMLFGNFKVHF-HNNXBMFYSA-N 1 0 307.350 1.404 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000261631368 407561324 /nfs/dbraw/zinc/56/13/24/407561324.db2.gz HPUIJLUYQMHEIF-CYBMUJFWSA-N 1 0 313.379 1.263 20 5 DDBDRO CC[C@@H](Cc1ccccc1)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000570036807 304391264 /nfs/dbraw/zinc/39/12/64/304391264.db2.gz HLDVJGTWXFDZGG-HOCLYGCPSA-N 1 0 318.377 1.763 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000068242694 406626783 /nfs/dbraw/zinc/62/67/83/406626783.db2.gz ZUCSJTALROFHEN-LBPRGKRZSA-N 1 0 311.386 1.192 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H]([NH3+])C(C)C)cc1C ZINC000070447751 406817124 /nfs/dbraw/zinc/81/71/24/406817124.db2.gz PEZHANHFIOOUGF-LLVKDONJSA-N 1 0 315.395 1.473 20 5 DDBDRO C[C@@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000070173684 406809832 /nfs/dbraw/zinc/80/98/32/406809832.db2.gz KLLSAOGXTAFANH-GHMZBOCLSA-N 1 0 313.379 1.343 20 5 DDBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)NCC[NH+]1CCCC1 ZINC000074124010 406903146 /nfs/dbraw/zinc/90/31/46/406903146.db2.gz MGJJETUDILYKIV-UHFFFAOYSA-N 1 0 320.393 1.999 20 5 DDBDRO O=C(NC1CC[NH+](C2CC2)CC1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000029093329 406920317 /nfs/dbraw/zinc/92/03/17/406920317.db2.gz SPVWMBSWXFWFKL-UHFFFAOYSA-N 1 0 306.322 1.052 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@H]1CCC[NH2+]C1 ZINC000044502428 407025310 /nfs/dbraw/zinc/02/53/10/407025310.db2.gz FVWUMYYEHQFAAL-NSHDSACASA-N 1 0 313.379 1.181 20 5 DDBDRO CCCNC(=O)C1([NH2+]CCn2cc([N+](=O)[O-])cn2)CCCCC1 ZINC000085864031 407105926 /nfs/dbraw/zinc/10/59/26/407105926.db2.gz NFDKPUBDCRDLPK-UHFFFAOYSA-N 1 0 323.397 1.610 20 5 DDBDRO C[C@@H](CC[NH+](C)C)Nc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000089620029 407142439 /nfs/dbraw/zinc/14/24/39/407142439.db2.gz XECWTERYHFFBFF-JTQLQIEISA-N 1 0 315.395 1.750 20 5 DDBDRO CN(CC[NH+]1CCCC1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000089900120 407157181 /nfs/dbraw/zinc/15/71/81/407157181.db2.gz BJKCKFQZFHIHOY-UHFFFAOYSA-N 1 0 321.377 1.989 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NCC(C)(C)[NH3+] ZINC000124695674 407366084 /nfs/dbraw/zinc/36/60/84/407366084.db2.gz DHDKSEYVAQYZON-UHFFFAOYSA-N 1 0 301.368 1.227 20 5 DDBDRO CN(CCCn1ccnc1)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000124412113 407357961 /nfs/dbraw/zinc/35/79/61/407357961.db2.gz CZPISMWPQZIFMH-UHFFFAOYSA-N 1 0 317.349 1.752 20 5 DDBDRO C[NH+]1CCN([C@H]2CCCCN(c3ncccc3[N+](=O)[O-])C2)CC1 ZINC000127021818 407426222 /nfs/dbraw/zinc/42/62/22/407426222.db2.gz AHVVSIIZANSAGJ-AWEZNQCLSA-N 1 0 319.409 1.596 20 5 DDBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC([NH+](C)C)CC1 ZINC000127934928 407482784 /nfs/dbraw/zinc/48/27/84/407482784.db2.gz PFLUXFBEYBBLEN-LBPRGKRZSA-N 1 0 320.393 1.948 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCCC[NH+]1CCCC1 ZINC000195455775 407457243 /nfs/dbraw/zinc/45/72/43/407457243.db2.gz BUDGAFFGVRCBLU-UHFFFAOYSA-N 1 0 309.370 1.092 20 5 DDBDRO COc1cc([N+](=O)[O-])c(C(=O)NCC[C@H](C)[NH3+])cc1SC ZINC000178630437 407517040 /nfs/dbraw/zinc/51/70/40/407517040.db2.gz QXDLZEZGHBUSPS-QMMMGPOBSA-N 1 0 313.379 1.792 20 5 DDBDRO Cc1cnc(NC[C@H](C(C)C)[NH+]2CCN(C)CC2)c([N+](=O)[O-])c1 ZINC000266213278 407533986 /nfs/dbraw/zinc/53/39/86/407533986.db2.gz NOYSATCSJBRHAJ-OAHLLOKOSA-N 1 0 321.425 1.982 20 5 DDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170873739 407541984 /nfs/dbraw/zinc/54/19/84/407541984.db2.gz MYHUYEXBKQCJBA-NSHDSACASA-N 1 0 313.379 1.228 20 5 DDBDRO CC[C@H](c1ccncc1)[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000130150958 407659409 /nfs/dbraw/zinc/65/94/09/407659409.db2.gz PWTOXOXDNXDGBV-LSDHHAIUSA-N 1 0 319.365 1.630 20 5 DDBDRO CC(C)([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000266752277 407622044 /nfs/dbraw/zinc/62/20/44/407622044.db2.gz QEARNLYGKFXSAA-CQSZACIVSA-N 1 0 304.350 1.677 20 5 DDBDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000271339263 407644996 /nfs/dbraw/zinc/64/49/96/407644996.db2.gz CIUTTXXTHJYPHS-NSHDSACASA-N 1 0 309.370 1.323 20 5 DDBDRO Cc1c(CNC(=O)C[C@H]2CSCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000231856016 407700538 /nfs/dbraw/zinc/70/05/38/407700538.db2.gz FVEJJJVFXNYWHF-LBPRGKRZSA-N 1 0 309.391 1.615 20 5 DDBDRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000236740974 407764485 /nfs/dbraw/zinc/76/44/85/407764485.db2.gz KJASQBNLEXXPCX-AWEZNQCLSA-N 1 0 309.366 1.805 20 5 DDBDRO O=[N+]([O-])c1ccc(-c2noc(CN3CCC[C@H](CO)C3)n2)cc1 ZINC000267162642 407772598 /nfs/dbraw/zinc/77/25/98/407772598.db2.gz QXPCYLXQULKKBG-NSHDSACASA-N 1 0 318.333 1.849 20 5 DDBDRO CCc1n[nH]c(C(=O)NC[C@@H]2CCCC[N@H+]2CC)c1[N+](=O)[O-] ZINC000171873518 407787391 /nfs/dbraw/zinc/78/73/91/407787391.db2.gz RLYZYNHKVCBBRR-JTQLQIEISA-N 1 0 309.370 1.485 20 5 DDBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCCC[NH3+] ZINC000237477762 407823280 /nfs/dbraw/zinc/82/32/80/407823280.db2.gz CGILQGRKPARXDD-MRVPVSSYSA-N 1 0 301.730 1.481 20 5 DDBDRO COC[C@]1(CNC(=O)Cc2ccc([N+](=O)[O-])cc2)CCC[NH2+]1 ZINC000262568681 407868635 /nfs/dbraw/zinc/86/86/35/407868635.db2.gz XDFWHKKJZCYENZ-OAHLLOKOSA-N 1 0 307.350 1.022 20 5 DDBDRO [NH3+]CCCNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000238070688 407883460 /nfs/dbraw/zinc/88/34/60/407883460.db2.gz FZUGGOGHWOIKHM-UHFFFAOYSA-N 1 0 301.730 1.482 20 5 DDBDRO Cc1nn(CCC(=O)N(C)[C@@H]2CCC[N@H+](C)C2)c(C)c1[N+](=O)[O-] ZINC000153760436 407897240 /nfs/dbraw/zinc/89/72/40/407897240.db2.gz MERJHNTWXQVHTB-CYBMUJFWSA-N 1 0 323.397 1.351 20 5 DDBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000268135977 407907891 /nfs/dbraw/zinc/90/78/91/407907891.db2.gz CIGUGXFLKUAGKB-ZANVPECISA-N 1 0 304.350 1.390 20 5 DDBDRO C[NH+]1CCC(C)(CNC(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000272496191 407946165 /nfs/dbraw/zinc/94/61/65/407946165.db2.gz FZACDVJHPBCVTL-UHFFFAOYSA-N 1 0 306.366 1.639 20 5 DDBDRO C[C@@H](CN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000272497369 407948905 /nfs/dbraw/zinc/94/89/05/407948905.db2.gz GCIVIFJGOIUMCO-WFASDCNBSA-N 1 0 317.393 1.957 20 5 DDBDRO C[C@@H](CN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000272497367 407950223 /nfs/dbraw/zinc/95/02/23/407950223.db2.gz GCIVIFJGOIUMCO-SWLSCSKDSA-N 1 0 317.393 1.957 20 5 DDBDRO CN(CC[NH+]1CCCC1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000118888115 407961067 /nfs/dbraw/zinc/96/10/67/407961067.db2.gz GAXQUZLNPQAQGN-OAHLLOKOSA-N 1 0 323.393 1.362 20 5 DDBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000268248139 407967586 /nfs/dbraw/zinc/96/75/86/407967586.db2.gz WKVDDGCYFPWOSJ-ABAIWWIYSA-N 1 0 303.362 1.736 20 5 DDBDRO CCc1n[nH]c(C(=O)N2CCCC[C@@H]2C[NH+](C)C)c1[N+](=O)[O-] ZINC000188411513 407940222 /nfs/dbraw/zinc/94/02/22/407940222.db2.gz UPJAPNGNJONBDC-SNVBAGLBSA-N 1 0 309.370 1.437 20 5 DDBDRO COC(=O)[C@@H](O)C1CC[NH+](Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000135382086 408009395 /nfs/dbraw/zinc/00/93/95/408009395.db2.gz ZBBGLROLQQQQPZ-HNNXBMFYSA-N 1 0 322.361 1.649 20 5 DDBDRO C[C@H](CNC(=O)c1c([N+](=O)[O-])cnn1C)[N@@H+]1CCC[C@@H](C)C1 ZINC000245853952 408080306 /nfs/dbraw/zinc/08/03/06/408080306.db2.gz DGUGWEBIWSYPPM-GHMZBOCLSA-N 1 0 309.370 1.179 20 5 DDBDRO [NH3+]CC(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000263277425 408088007 /nfs/dbraw/zinc/08/80/07/408088007.db2.gz YWMRCLQXXPQPNM-UHFFFAOYSA-N 1 0 306.244 1.100 20 5 DDBDRO C[NH+]1CCC(CCNC(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000263704185 408215047 /nfs/dbraw/zinc/21/50/47/408215047.db2.gz AYGUIEZIZPTOJA-UHFFFAOYSA-N 1 0 306.366 1.639 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000269387388 408290457 /nfs/dbraw/zinc/29/04/57/408290457.db2.gz LCXLXWTZXXACFI-SNVBAGLBSA-N 1 0 307.354 1.362 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000269390669 408290695 /nfs/dbraw/zinc/29/06/95/408290695.db2.gz RHAFSSABJVZSFO-WDEREUQCSA-N 1 0 321.381 1.798 20 5 DDBDRO Cc1ccccc1N1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176194845 408307583 /nfs/dbraw/zinc/30/75/83/408307583.db2.gz ACSGJJUHFCUOER-UHFFFAOYSA-N 1 0 315.377 1.922 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(N2CCNC2=O)CC1 ZINC000183219349 408358618 /nfs/dbraw/zinc/35/86/18/408358618.db2.gz VHOUTAUHGSNYBR-UHFFFAOYSA-N 1 0 318.377 1.893 20 5 DDBDRO C[C@H]1C[C@@H](N(C)C(=O)Nc2ccncc2[N+](=O)[O-])CC[N@@H+]1C ZINC000183555154 408440091 /nfs/dbraw/zinc/44/00/91/408440091.db2.gz LKYWIPUPRNYJEG-QWRGUYRKSA-N 1 0 307.354 1.936 20 5 DDBDRO Cc1cc(C(=O)N[C@H](C)CN2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000264472047 408505034 /nfs/dbraw/zinc/50/50/34/408505034.db2.gz UMVPHRXAZXPGMX-CYBMUJFWSA-N 1 0 320.393 1.269 20 5 DDBDRO O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000264533267 408525566 /nfs/dbraw/zinc/52/55/66/408525566.db2.gz YYFNJFKEJDKAGE-LLVKDONJSA-N 1 0 320.349 1.396 20 5 DDBDRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)C[C@H]12 ZINC000248621532 408601450 /nfs/dbraw/zinc/60/14/50/408601450.db2.gz NBERQTNIEKNCIX-JFUSQASVSA-N 1 0 315.333 1.280 20 5 DDBDRO CS[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)C[C@H]1[NH+](C)C ZINC000270533927 408566495 /nfs/dbraw/zinc/56/64/95/408566495.db2.gz VXJKFLUFXKVOHZ-CHWSQXEVSA-N 1 0 309.391 1.712 20 5 DDBDRO C[N@H+]1C[C@H]2CN(C(=O)CCc3cccc([N+](=O)[O-])c3)C[C@H]2C1 ZINC000192522039 408602504 /nfs/dbraw/zinc/60/25/04/408602504.db2.gz LWYLMKJRPMQRES-OKILXGFUSA-N 1 0 303.362 1.547 20 5 DDBDRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000184337692 408593139 /nfs/dbraw/zinc/59/31/39/408593139.db2.gz XUVLXWWKATVMPM-ZDUSSCGKSA-N 1 0 320.393 1.351 20 5 DDBDRO COCC[N@@H+]1CC[C@H](NC(=O)c2cc(OC)ccc2[N+](=O)[O-])C1 ZINC000264552252 408532471 /nfs/dbraw/zinc/53/24/71/408532471.db2.gz PHAZHAWEPKKZJF-NSHDSACASA-N 1 0 323.349 1.054 20 5 DDBDRO CCCc1n[nH]c(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1[N+](=O)[O-] ZINC000248636977 408605242 /nfs/dbraw/zinc/60/52/42/408605242.db2.gz QNRDFNIVVJHSNI-LPEHRKFASA-N 1 0 307.354 1.080 20 5 DDBDRO C[C@H]1CN(CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000270631721 408613231 /nfs/dbraw/zinc/61/32/31/408613231.db2.gz GSXATEOCQCRUSQ-SMDDNHRTSA-N 1 0 306.366 1.415 20 5 DDBDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000270746075 408663841 /nfs/dbraw/zinc/66/38/41/408663841.db2.gz HFGOYJOEADUIFR-TUAOUCFPSA-N 1 0 323.397 1.425 20 5 DDBDRO C[C@H]([NH3+])CCNS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000193252869 408706227 /nfs/dbraw/zinc/70/62/27/408706227.db2.gz SKQLKEHSAPGWGK-VIFPVBQESA-N 1 0 324.362 1.159 20 5 DDBDRO O=[N+]([O-])c1cccnc1NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000265524909 408682119 /nfs/dbraw/zinc/68/21/19/408682119.db2.gz SKPPPMYWXVDXQK-GFCCVEGCSA-N 1 0 306.366 1.903 20 5 DDBDRO CN(CC[NH+](C)C)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000177678897 408682775 /nfs/dbraw/zinc/68/27/75/408682775.db2.gz VLYWXFQZWWSLBX-UHFFFAOYSA-N 1 0 320.393 1.829 20 5 DDBDRO CC[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C[C@@H]1CCCO1 ZINC000250415624 408778532 /nfs/dbraw/zinc/77/85/32/408778532.db2.gz AAESGRFUUFXDJT-ZBFHGGJFSA-N 1 0 324.377 1.835 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H]1CCOC[C@@H]1C ZINC000277297257 408914008 /nfs/dbraw/zinc/91/40/08/408914008.db2.gz CFCPFXQQBDEHCD-JQWIXIFHSA-N 1 0 323.349 1.557 20 5 DDBDRO CNC(=O)[C@H](C)[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000291857759 408933995 /nfs/dbraw/zinc/93/39/95/408933995.db2.gz HHEQQYQJRIVLFF-UWVGGRQHSA-N 1 0 308.338 1.036 20 5 DDBDRO COCC[N@H+](C)CCCNC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000192684160 163231922 /nfs/dbraw/zinc/23/19/22/163231922.db2.gz ABHLWUBWOOMTGF-UHFFFAOYSA-N 1 0 309.366 1.601 20 5 DDBDRO C[C@@H]1COCC[C@H]1[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000277522697 408957415 /nfs/dbraw/zinc/95/74/15/408957415.db2.gz QYRVZTNAILIVFE-BXUZGUMPSA-N 1 0 319.361 1.499 20 5 DDBDRO CC(C)([NH2+]CCCS(C)(=O)=O)c1ccccc1[N+](=O)[O-] ZINC000292187643 408997068 /nfs/dbraw/zinc/99/70/68/408997068.db2.gz RCLHFZQETUXVTN-UHFFFAOYSA-N 1 0 300.380 1.854 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@@H](OCc3ccncc3)C2)n1 ZINC000287639391 409068790 /nfs/dbraw/zinc/06/87/90/409068790.db2.gz GBRKRXPOJCQONG-CQSZACIVSA-N 1 0 317.349 1.477 20 5 DDBDRO C[NH+](C)CC1(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCC1 ZINC000282443975 409054849 /nfs/dbraw/zinc/05/48/49/409054849.db2.gz GWQLKQAPPUILBX-UHFFFAOYSA-N 1 0 313.379 1.357 20 5 DDBDRO CN(CC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1)c1ccccc1[N+](=O)[O-] ZINC000293407210 409107443 /nfs/dbraw/zinc/10/74/43/409107443.db2.gz MYGNRJXPVCAXAE-QWHCGFSZSA-N 1 0 318.377 1.241 20 5 DDBDRO CCCc1n[nH]c(C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)c1[N+](=O)[O-] ZINC000293630265 409150150 /nfs/dbraw/zinc/15/01/50/409150150.db2.gz FFMLYUQYNHSFAH-OAHLLOKOSA-N 1 0 321.381 1.438 20 5 DDBDRO CCN1CC[NH+](C[C@@H](C)CNc2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000283449734 409158780 /nfs/dbraw/zinc/15/87/80/409158780.db2.gz DOUPHGLMWKYNHR-ZDUSSCGKSA-N 1 0 321.425 1.863 20 5 DDBDRO Cc1nn(CCC(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000293875246 409198785 /nfs/dbraw/zinc/19/87/85/409198785.db2.gz CFHWJBRVHWBOEC-PHIMTYICSA-N 1 0 323.397 1.349 20 5 DDBDRO CC(C)[N@@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1 ZINC000284000551 409255056 /nfs/dbraw/zinc/25/50/56/409255056.db2.gz NOIVAWXWPDWRMV-UHFFFAOYSA-N 1 0 324.356 1.872 20 5 DDBDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000293895017 409201674 /nfs/dbraw/zinc/20/16/74/409201674.db2.gz NEDMRRLFWKYBON-MRXNPFEDSA-N 1 0 303.362 1.692 20 5 DDBDRO COc1cc(OCC(=O)N2CC[C@@](C)(C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000262185254 163782874 /nfs/dbraw/zinc/78/28/74/163782874.db2.gz ZJOXBMLHOARARU-HNNXBMFYSA-N 1 0 323.349 1.180 20 5 DDBDRO O=C(CNc1ccccc1[N+](=O)[O-])N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000290159928 409311160 /nfs/dbraw/zinc/31/11/60/409311160.db2.gz NXKBDCSSAMVQPL-RYUDHWBXSA-N 1 0 304.350 1.075 20 5 DDBDRO C[C@H](CCC[NH3+])NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000295199979 409371720 /nfs/dbraw/zinc/37/17/20/409371720.db2.gz KBGRDOJXRIEWFF-LLVKDONJSA-N 1 0 317.349 1.638 20 5 DDBDRO CN(C(=O)C[NH2+][C@@H]1CCOC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000295139896 409339208 /nfs/dbraw/zinc/33/92/08/409339208.db2.gz BZXAZOSTRZLKEL-CYBMUJFWSA-N 1 0 307.350 1.715 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[N@H+](CCCO)C2)c1 ZINC000295556200 409346487 /nfs/dbraw/zinc/34/64/87/409346487.db2.gz UAJCOELLMHADML-CYBMUJFWSA-N 1 0 321.377 1.480 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1CCOC1(C)C ZINC000295270325 409407314 /nfs/dbraw/zinc/40/73/14/409407314.db2.gz RZYSPHYYSLCUGK-CYBMUJFWSA-N 1 0 323.349 1.699 20 5 DDBDRO CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1(CO)CC1 ZINC000285395957 409425439 /nfs/dbraw/zinc/42/54/39/409425439.db2.gz DTTNBHHFRKATND-UHFFFAOYSA-N 1 0 313.741 1.643 20 5 DDBDRO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000321308457 164044296 /nfs/dbraw/zinc/04/42/96/164044296.db2.gz CRQAVIMZPOZAPU-WCQYABFASA-N 1 0 318.377 1.876 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@H]1C1CCOCC1 ZINC000348947558 409603140 /nfs/dbraw/zinc/60/31/40/409603140.db2.gz JLUPVZQASZAZAD-HNNXBMFYSA-N 1 0 321.377 1.648 20 5 DDBDRO COc1c(C(=O)NCC[N@H+]2CC=C(C)CC2)cccc1[N+](=O)[O-] ZINC000356841078 409653981 /nfs/dbraw/zinc/65/39/81/409653981.db2.gz VTWVKJYOGVIUCO-UHFFFAOYSA-N 1 0 319.361 1.985 20 5 DDBDRO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000356843161 409655109 /nfs/dbraw/zinc/65/51/09/409655109.db2.gz GBLWLEUAMPODOX-STQMWFEESA-N 1 0 321.377 1.915 20 5 DDBDRO C[C@@H](NC(=O)[C@@H]1C[N@@H+]2CCN1CCC2)c1ccccc1[N+](=O)[O-] ZINC000342475241 409663407 /nfs/dbraw/zinc/66/34/07/409663407.db2.gz RNUSOYXKEITLHJ-DOMZBBRYSA-N 1 0 318.377 1.162 20 5 DDBDRO CC(C)(CN1CCOCC1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000308647459 409780241 /nfs/dbraw/zinc/78/02/41/409780241.db2.gz MAAZQLIWNWQAET-UHFFFAOYSA-N 1 0 307.394 1.838 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)CN2CC[C@H]([NH+]3CCCC3)C2)c1 ZINC000305173980 409716288 /nfs/dbraw/zinc/71/62/88/409716288.db2.gz KRCPDNATVJIQPD-JKSUJKDBSA-N 1 0 305.378 1.798 20 5 DDBDRO [NH3+]C[C@H]1CN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000313372744 409806648 /nfs/dbraw/zinc/80/66/48/409806648.db2.gz INOUMJHRWYDPLS-GBXSZLQWSA-N 1 0 305.334 1.184 20 5 DDBDRO C[C@@H](CNc1nccc(C(N)=O)c1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC000357308541 409966345 /nfs/dbraw/zinc/96/63/45/409966345.db2.gz WNYSRUZWRVXNEZ-MNOVXSKESA-N 1 0 321.381 1.621 20 5 DDBDRO O=[N+]([O-])c1cnn(Cc2nc(-c3ccn4c[nH+]cc4c3)no2)c1 ZINC000351085971 410032516 /nfs/dbraw/zinc/03/25/16/410032516.db2.gz LOOUIVPBPMKXKK-UHFFFAOYSA-N 1 0 311.261 1.537 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(N2CCC[N@@H+]([C@@H](C)CO)CC2)c1 ZINC000338706024 410034285 /nfs/dbraw/zinc/03/42/85/410034285.db2.gz RBHUHPAAFLIBKD-LBPRGKRZSA-N 1 0 309.366 1.496 20 5 DDBDRO [NH3+]CCCN(CC1CCCC1)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000357377948 410004263 /nfs/dbraw/zinc/00/42/63/410004263.db2.gz PRCOINNISBHBAY-UHFFFAOYSA-N 1 0 309.370 1.159 20 5 DDBDRO COC(=O)COc1ccc(C[N@@H+]2C[C@@H](O)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000355043806 410263886 /nfs/dbraw/zinc/26/38/86/410263886.db2.gz SNXIWNUJOQSTQZ-JQWIXIFHSA-N 1 0 324.333 1.102 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CC3CC3)CC2)c2nonc21 ZINC000298697983 410352290 /nfs/dbraw/zinc/35/22/90/410352290.db2.gz DOQARMRWNQYQMJ-UHFFFAOYSA-N 1 0 303.322 1.663 20 5 DDBDRO C[C@@H]1[C@H](NC(=O)CCNc2ccccc2[N+](=O)[O-])CCC[N@@H+]1C ZINC000343460455 410471099 /nfs/dbraw/zinc/47/10/99/410471099.db2.gz RVBOVKYMYFVITK-CHWSQXEVSA-N 1 0 320.393 1.996 20 5 DDBDRO CC[NH+](CC)C[C@@H](C)NC(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000347285695 410444061 /nfs/dbraw/zinc/44/40/61/410444061.db2.gz SQDBNTUCFATPJF-LLVKDONJSA-N 1 0 311.386 1.336 20 5 DDBDRO C[C@H]1[C@H](NC(=O)NCc2ccccc2[N+](=O)[O-])CCC[N@@H+]1C ZINC000343609417 410568516 /nfs/dbraw/zinc/56/85/16/410568516.db2.gz SJUUGEFOEVFGRD-WCQYABFASA-N 1 0 306.366 1.877 20 5 DDBDRO C[NH+](C)[C@H]1CCC[C@@H](Nc2cccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000340016727 410617409 /nfs/dbraw/zinc/61/74/09/410617409.db2.gz TWHLDQZFYDBLKM-MNOVXSKESA-N 1 0 306.366 1.978 20 5 DDBDRO C[C@H](CC[NH+](C)C)Nc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000301116548 410658704 /nfs/dbraw/zinc/65/87/04/410658704.db2.gz VPDAFYMCBASHEI-SECBINFHSA-N 1 0 305.338 1.996 20 5 DDBDRO C[N@@H+]1CCC[C@@H]1CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000353058223 410764288 /nfs/dbraw/zinc/76/42/88/410764288.db2.gz RNEJDRRBABUGIW-CYBMUJFWSA-N 1 0 313.379 1.108 20 5 DDBDRO CC[N@@H+]1CCCC[C@H]1CNc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000301953350 410835537 /nfs/dbraw/zinc/83/55/37/410835537.db2.gz CRRGJRRINQBJNB-NSHDSACASA-N 1 0 304.354 1.924 20 5 DDBDRO COc1cc(CN[C@@H]2CC[N@H+](C)[C@@H](C)C2)c([N+](=O)[O-])cc1O ZINC000330679902 410874049 /nfs/dbraw/zinc/87/40/49/410874049.db2.gz YESWMKLXPYYBOU-CMPLNLGQSA-N 1 0 309.366 1.881 20 5 DDBDRO CC1CC[NH+](CC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CC1 ZINC000360108659 411050000 /nfs/dbraw/zinc/05/00/00/411050000.db2.gz XYHZISKHQJGHOX-HUUCEWRRSA-N 1 0 309.410 1.622 20 5 DDBDRO Cn1nc([N+](=O)[O-])cc1C(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000356495820 411057815 /nfs/dbraw/zinc/05/78/15/411057815.db2.gz GRAAZOPSKGJSIE-GFCCVEGCSA-N 1 0 317.349 1.361 20 5 DDBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H](O)C(F)F ZINC000341378143 411029403 /nfs/dbraw/zinc/02/94/03/411029403.db2.gz ZXQFLXCTMANMRG-KWQFWETISA-N 1 0 317.292 1.528 20 5 DDBDRO O=C1C[C@H]2CC[C@@H](CN1)[N@H+]2C/C=C/c1ccccc1[N+](=O)[O-] ZINC000353667908 411103124 /nfs/dbraw/zinc/10/31/24/411103124.db2.gz WASPELRIADEQTK-JRFBKZHLSA-N 1 0 301.346 1.961 20 5 DDBDRO [NH3+]C[C@H]1CCCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000580647051 422945971 /nfs/dbraw/zinc/94/59/71/422945971.db2.gz YEYZXQJXZIXRFM-LLVKDONJSA-N 1 0 317.349 1.816 20 5 DDBDRO CC[C@@]1(C(=O)NCCNc2ccccc2[N+](=O)[O-])CCC[NH2+]1 ZINC000134385179 196384743 /nfs/dbraw/zinc/38/47/43/196384743.db2.gz GLCSQFUYZHHQGS-HNNXBMFYSA-N 1 0 306.366 1.655 20 5 DDBDRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000417232831 225257375 /nfs/dbraw/zinc/25/73/75/225257375.db2.gz NHCUYIUIXOBYFZ-AAEUAGOBSA-N 1 0 306.366 1.516 20 5 DDBDRO [NH3+]CCCNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000418088088 225578357 /nfs/dbraw/zinc/57/83/57/225578357.db2.gz JGKUPNJWPPYFIM-UHFFFAOYSA-N 1 0 320.271 1.762 20 5 DDBDRO C[NH+](C)CCn1ccc(NC(=O)c2ccc([N+](=O)[O-])cn2)n1 ZINC000532137444 417663065 /nfs/dbraw/zinc/66/30/65/417663065.db2.gz PMMAHSBCMZUTRL-UHFFFAOYSA-N 1 0 304.310 1.000 20 5 DDBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC2(CC[NH2+]2)CC1 ZINC000422636399 227083265 /nfs/dbraw/zinc/08/32/65/227083265.db2.gz NCHCBIRPPLGYEX-GFCCVEGCSA-N 1 0 318.377 1.750 20 5 DDBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@H](C)N1CC[NH+](C)CC1 ZINC000192559014 418523801 /nfs/dbraw/zinc/52/38/01/418523801.db2.gz LXOODQVLEFFSMJ-NSHDSACASA-N 1 0 310.402 1.167 20 5 DDBDRO NC(=O)c1cc([N+](=O)[O-])cnc1NC1CC[NH+](CC2CC2)CC1 ZINC000194089523 418540720 /nfs/dbraw/zinc/54/07/20/418540720.db2.gz ZNXVOPQKGSKTJL-UHFFFAOYSA-N 1 0 319.365 1.375 20 5 DDBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@H]1CCC[N@@H+]1CCOC ZINC000360965899 418555799 /nfs/dbraw/zinc/55/57/99/418555799.db2.gz KJYPWFKBMXKMAR-GFCCVEGCSA-N 1 0 311.386 1.642 20 5 DDBDRO O=C(CC[NH+]1CC([C@H]2CCOC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000367130481 418563192 /nfs/dbraw/zinc/56/31/92/418563192.db2.gz HDBDPIOWBXNANM-LBPRGKRZSA-N 1 0 319.361 1.892 20 5 DDBDRO CCN(CCC[NH+](CC)CC)C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000188057294 222005300 /nfs/dbraw/zinc/00/53/00/222005300.db2.gz OBNNKIYOGAZGDP-UHFFFAOYSA-N 1 0 323.397 1.766 20 5 DDBDRO COc1cc(CN2CC[C@H](O)[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000190063966 222066170 /nfs/dbraw/zinc/06/61/70/222066170.db2.gz ZXASDKLSINTJPX-MFKMUULPSA-N 1 0 310.350 1.815 20 5 DDBDRO Nc1ccc(N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c([N+](=O)[O-])c1 ZINC000367417697 418599238 /nfs/dbraw/zinc/59/92/38/418599238.db2.gz IGQNSSOVPQGSOY-ZFWWWQNUSA-N 1 0 306.366 1.212 20 5 DDBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000361293307 418620444 /nfs/dbraw/zinc/62/04/44/418620444.db2.gz WNBCFRFCADELGR-BXUZGUMPSA-N 1 0 304.350 1.546 20 5 DDBDRO Cc1cc(F)ccc1CC[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000390922298 418756850 /nfs/dbraw/zinc/75/68/50/418756850.db2.gz HLCSRDITCKBVTF-HNNXBMFYSA-N 1 0 322.340 1.432 20 5 DDBDRO O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000365640263 418886298 /nfs/dbraw/zinc/88/62/98/418886298.db2.gz RLCDRXFLRAOIDP-LLVKDONJSA-N 1 0 306.322 1.006 20 5 DDBDRO Cc1cc(NC(=O)C(=O)NCC[NH2+]C(C)(C)C)ccc1[N+](=O)[O-] ZINC000411399792 418900611 /nfs/dbraw/zinc/90/06/11/418900611.db2.gz SEUHBDAORWHQBN-UHFFFAOYSA-N 1 0 322.365 1.346 20 5 DDBDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000372125448 418838192 /nfs/dbraw/zinc/83/81/92/418838192.db2.gz KBCVMYVNGCFKNW-KCPJHIHWSA-N 1 0 318.377 1.388 20 5 DDBDRO CNC(=O)[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C(C)C ZINC000411472157 418907660 /nfs/dbraw/zinc/90/76/60/418907660.db2.gz SKWXOUIXFHTALW-AWEZNQCLSA-N 1 0 322.365 1.284 20 5 DDBDRO CCc1ccc(C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)cc1[N+](=O)[O-] ZINC000373040495 418923853 /nfs/dbraw/zinc/92/38/53/418923853.db2.gz CEESTEJXZJGIRN-OCCSQVGLSA-N 1 0 303.362 1.981 20 5 DDBDRO Cn1c(C(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000423979879 227834581 /nfs/dbraw/zinc/83/45/81/227834581.db2.gz SAOZUHKMZFKNED-QWHCGFSZSA-N 1 0 314.345 1.419 20 5 DDBDRO C[C@H]1CCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000424025452 228221155 /nfs/dbraw/zinc/22/11/55/228221155.db2.gz WPNWKUWOASZTCI-QWHCGFSZSA-N 1 0 320.393 1.474 20 5 DDBDRO C[C@@H]([NH3+])[C@H](C)NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000417998414 419460919 /nfs/dbraw/zinc/46/09/19/419460919.db2.gz VFFLHGFSCMJPHK-BDAKNGLRSA-N 1 0 314.773 1.826 20 5 DDBDRO O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N[C@H]1CCC[NH2+]C1 ZINC000418084212 419520146 /nfs/dbraw/zinc/52/01/46/419520146.db2.gz POJPJZSMVHZOKV-VIFPVBQESA-N 1 0 318.337 1.022 20 5 DDBDRO C[C@H]([NH3+])[C@H](C)NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000418084958 419521264 /nfs/dbraw/zinc/52/12/64/419521264.db2.gz SWOZSWLKMFODMQ-YUMQZZPRSA-N 1 0 306.326 1.006 20 5 DDBDRO COc1ccc(C[NH2+][C@@H](CO)[C@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000411993540 419553521 /nfs/dbraw/zinc/55/35/21/419553521.db2.gz LNHJITFQZPTNJN-STQMWFEESA-N 1 0 310.350 1.481 20 5 DDBDRO C[C@H](NC(=O)NC[C@@H]1CCC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000418232452 419633861 /nfs/dbraw/zinc/63/38/61/419633861.db2.gz MPZOSDNIVVWPKM-NWDGAFQWSA-N 1 0 306.366 1.955 20 5 DDBDRO CC(C)[N@H+](CCOc1cccc([N+](=O)[O-])c1)C[C@@H]1CCC(=O)N1 ZINC000412082296 419634829 /nfs/dbraw/zinc/63/48/29/419634829.db2.gz OZFJOAQHYKSYLW-ZDUSSCGKSA-N 1 0 321.377 1.963 20 5 DDBDRO CC(C)[C@@H]([NH3+])CNC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000418416391 419785753 /nfs/dbraw/zinc/78/57/53/419785753.db2.gz VLCLKEIQCOYLOO-AWEZNQCLSA-N 1 0 308.382 1.762 20 5 DDBDRO C[C@@H]1CCCN(c2ccc(C(=O)NCCC[NH3+])cc2[N+](=O)[O-])C1 ZINC000428469462 419872557 /nfs/dbraw/zinc/87/25/57/419872557.db2.gz JXNKFDUOLUYKNJ-GFCCVEGCSA-N 1 0 320.393 1.910 20 5 DDBDRO C[NH+](C)C1(CNC(=O)c2cc([N+](=O)[O-])ccc2N)CCCC1 ZINC000299408572 229102702 /nfs/dbraw/zinc/10/27/02/229102702.db2.gz PULIJAXGTYOHOH-UHFFFAOYSA-N 1 0 306.366 1.781 20 5 DDBDRO C[C@H]1C[C@H](NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000418611622 419900030 /nfs/dbraw/zinc/90/00/30/419900030.db2.gz VCOBRPAQBKSBFP-GXTWGEPZSA-N 1 0 320.393 1.919 20 5 DDBDRO CC[C@H]([NH3+])CNC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000418732602 419956793 /nfs/dbraw/zinc/95/67/93/419956793.db2.gz QTKQFZZDUKKVPU-JTQLQIEISA-N 1 0 308.338 1.105 20 5 DDBDRO C[C@H]([NH3+])C1CCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000415386382 420044698 /nfs/dbraw/zinc/04/46/98/420044698.db2.gz OXHIDIZDAIBMJF-JTQLQIEISA-N 1 0 320.349 1.119 20 5 DDBDRO COc1cc(C(=O)N2C[C@H](C)[NH2+]C[C@H]2C)cc([N+](=O)[O-])c1C ZINC000423503973 420063868 /nfs/dbraw/zinc/06/38/68/420063868.db2.gz NFRKKDUUSLZMFN-VHSXEESVSA-N 1 0 307.350 1.734 20 5 DDBDRO C[C@H]1CN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC[C@H]1[NH3+] ZINC000420180997 420142724 /nfs/dbraw/zinc/14/27/24/420142724.db2.gz DOBFBHPCIVTTJA-JOYOIKCWSA-N 1 0 303.322 1.818 20 5 DDBDRO C[C@H]1CN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC[C@@H]1[NH3+] ZINC000420180995 420142900 /nfs/dbraw/zinc/14/29/00/420142900.db2.gz DOBFBHPCIVTTJA-CABZTGNLSA-N 1 0 303.322 1.818 20 5 DDBDRO CC(C)c1ccc(C(=O)NC[C@@H]2C[NH2+]CCN2C)cc1[N+](=O)[O-] ZINC000423693737 420129874 /nfs/dbraw/zinc/12/98/74/420129874.db2.gz AAPBGDJJHOZMDA-ZDUSSCGKSA-N 1 0 320.393 1.352 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C[NH3+])C1CC1 ZINC000415650984 420135860 /nfs/dbraw/zinc/13/58/60/420135860.db2.gz GCRRESSAXQAKER-GFCCVEGCSA-N 1 0 308.338 1.852 20 5 DDBDRO C[C@H]1CC[NH2+][C@H](C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000423718612 420140806 /nfs/dbraw/zinc/14/08/06/420140806.db2.gz CXONXMCEQWOESY-UFBFGSQYSA-N 1 0 303.322 1.798 20 5 DDBDRO CCOc1ccc([C@@H](C)NC[C@H]2C[NH2+]CCO2)cc1[N+](=O)[O-] ZINC000423550557 420079373 /nfs/dbraw/zinc/07/93/73/420079373.db2.gz FQCURCUGPJNMRL-DGCLKSJQSA-N 1 0 309.366 1.633 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@](C)(C[NH3+])C1CC1 ZINC000430570114 420141475 /nfs/dbraw/zinc/14/14/75/420141475.db2.gz IMHYFJYQEFFBEP-OAHLLOKOSA-N 1 0 306.366 1.559 20 5 DDBDRO COc1ccc(OCCN(C)C2(C[NH3+])CCC2)c([N+](=O)[O-])c1 ZINC000420319847 420204598 /nfs/dbraw/zinc/20/45/98/420204598.db2.gz APOCPEDWWGMDON-UHFFFAOYSA-N 1 0 309.366 1.795 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CCC([NH3+])CC1 ZINC000430601177 420153918 /nfs/dbraw/zinc/15/39/18/420153918.db2.gz CVTQDYZTMYXGEH-JTQLQIEISA-N 1 0 322.365 1.354 20 5 DDBDRO C[NH2+][C@@H]1CCN(CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000430607144 420156442 /nfs/dbraw/zinc/15/64/42/420156442.db2.gz BJOSKKFHDBYKSE-LLVKDONJSA-N 1 0 322.365 1.226 20 5 DDBDRO C[C@@H]1CC[NH2+]C[C@@H]1Nc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000420238996 420163757 /nfs/dbraw/zinc/16/37/57/420163757.db2.gz LKNZMNSNYDQAEA-SKDRFNHKSA-N 1 0 303.322 2.055 20 5 DDBDRO Cc1cc(NC[C@@H]2C[NH2+]C[C@H]2O)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420243166 420165740 /nfs/dbraw/zinc/16/57/40/420165740.db2.gz PDOPMJFKOBUJLA-QPUJVOFHSA-N 1 0 319.283 1.914 20 5 DDBDRO [NH3+][C@@H]1CCC[C@H](CNc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C1 ZINC000420288386 420182914 /nfs/dbraw/zinc/18/29/14/420182914.db2.gz SEEPQXVYXDPOPP-VHSXEESVSA-N 1 0 317.349 2.173 20 5 DDBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000420345279 420225046 /nfs/dbraw/zinc/22/50/46/420225046.db2.gz AJRMZDUZGLXQAL-UPJWGTAASA-N 1 0 318.377 1.748 20 5 DDBDRO C[C@H](N[C@H]1[C@@H](C)[NH2+]CC[C@@H]1C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000420373534 420245331 /nfs/dbraw/zinc/24/53/31/420245331.db2.gz RHJIDAQATKSXID-OZTPJHRESA-N 1 0 320.393 1.898 20 5 DDBDRO CN(C1(C[NH3+])CCC1)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000420443434 420290203 /nfs/dbraw/zinc/29/02/03/420290203.db2.gz LGTVSWQLZFEPNA-UHFFFAOYSA-N 1 0 313.379 1.238 20 5 DDBDRO Cc1nn(CCC(=O)N[C@@H](C[NH3+])C2CCCC2)c(C)c1[N+](=O)[O-] ZINC000423965805 420285777 /nfs/dbraw/zinc/28/57/77/420285777.db2.gz RDOCOVQHQCODRX-ZDUSSCGKSA-N 1 0 323.397 1.432 20 5 DDBDRO CN(CC(=O)NCC1([NH+](C)C)CC1)c1ccccc1[N+](=O)[O-] ZINC000416300131 420316607 /nfs/dbraw/zinc/31/66/07/420316607.db2.gz HUWOJRZNZFSVRB-UHFFFAOYSA-N 1 0 306.366 1.241 20 5 DDBDRO Cc1sc(S(=O)(=O)NC(C)(C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000416506253 420401343 /nfs/dbraw/zinc/40/13/43/420401343.db2.gz FLJDBGGMTIGIIQ-UHFFFAOYSA-N 1 0 321.424 1.583 20 5 DDBDRO C[NH+](C)[C@@H]1CCC[C@@H](Nc2ccc3ncc([N+](=O)[O-])n3n2)C1 ZINC000301974693 230013920 /nfs/dbraw/zinc/01/39/20/230013920.db2.gz VNFJTEXNKUIQPA-GHMZBOCLSA-N 1 0 304.354 1.922 20 5 DDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000417766459 420473139 /nfs/dbraw/zinc/47/31/39/420473139.db2.gz PINODVLBCRTEGO-OKILXGFUSA-N 1 0 318.377 1.673 20 5 DDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000417773499 420474930 /nfs/dbraw/zinc/47/49/30/420474930.db2.gz XHMJIPHNVRETOQ-KGLIPLIRSA-N 1 0 318.377 1.388 20 5 DDBDRO CO[C@@H]1CCC[C@H]1[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000451635525 420606436 /nfs/dbraw/zinc/60/64/36/420606436.db2.gz XQCOLMXFRANUQX-UKRRQHHQSA-N 1 0 319.361 1.641 20 5 DDBDRO CCOc1cc(C[NH+]2CCC(OCCO)CC2)ccc1[N+](=O)[O-] ZINC000492556949 420591858 /nfs/dbraw/zinc/59/18/58/420591858.db2.gz HFTPOIWOMDJNBW-UHFFFAOYSA-N 1 0 324.377 1.967 20 5 DDBDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000457122574 420621477 /nfs/dbraw/zinc/62/14/77/420621477.db2.gz OUONMQHGLMTUHE-CYBMUJFWSA-N 1 0 320.393 1.948 20 5 DDBDRO Cn1ccc(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)n1 ZINC000447580580 420784163 /nfs/dbraw/zinc/78/41/63/420784163.db2.gz PBYWFKWJUHFUHI-OLZOCXBDSA-N 1 0 304.354 1.798 20 5 DDBDRO CN(CC[NH+](C)C)c1cc(CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000447811105 420804833 /nfs/dbraw/zinc/80/48/33/420804833.db2.gz COSNFKQEHASZCY-UHFFFAOYSA-N 1 0 322.409 1.425 20 5 DDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](CO)[C@@H]2CCCO2)c(Cl)c1 ZINC000447901237 420813592 /nfs/dbraw/zinc/81/35/92/420813592.db2.gz BJNWSGALHKEEOU-STQMWFEESA-N 1 0 300.742 1.878 20 5 DDBDRO O=C(CC[NH2+][C@@H](CO)[C@H]1CCCO1)Nc1ccccc1[N+](=O)[O-] ZINC000447907621 420814871 /nfs/dbraw/zinc/81/48/71/420814871.db2.gz ACPKIGSPLXMXES-GXTWGEPZSA-N 1 0 323.349 1.053 20 5 DDBDRO C[C@@H]1[NH2+]CCN(C(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])[C@H]1C ZINC000493498408 420866911 /nfs/dbraw/zinc/86/69/11/420866911.db2.gz QHAYMRZDPYGEOZ-UARRTVENSA-N 1 0 307.325 1.956 20 5 DDBDRO CC[C@@H]1OCC[C@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000459783111 420872574 /nfs/dbraw/zinc/87/25/74/420872574.db2.gz VHFKWQHKANIBEJ-KGLIPLIRSA-N 1 0 307.350 1.999 20 5 DDBDRO O=[N+]([O-])c1cccc(C[N@@H+]2C[C@H](O)C[C@H]2[C@@H]2CCCOC2)c1 ZINC000449433158 421012027 /nfs/dbraw/zinc/01/20/27/421012027.db2.gz LASCQXKMVCSYIC-BMFZPTHFSA-N 1 0 306.362 1.957 20 5 DDBDRO CC[C@@H]([NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)NC ZINC000449773611 421080789 /nfs/dbraw/zinc/08/07/89/421080789.db2.gz KKIITDFVVHGOAV-ZWNOBZJWSA-N 1 0 322.365 1.426 20 5 DDBDRO COc1cccc(C(=O)NC[C@H]2CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000559823906 421226682 /nfs/dbraw/zinc/22/66/82/421226682.db2.gz PAOFLCUBUYYQQA-LLVKDONJSA-N 1 0 307.350 1.675 20 5 DDBDRO C[N@@H+]1CC[C@H](C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000551892049 421550929 /nfs/dbraw/zinc/55/09/29/421550929.db2.gz BTGPGJFKHKATMS-VIFPVBQESA-N 1 0 303.322 1.039 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000570279876 421635144 /nfs/dbraw/zinc/63/51/44/421635144.db2.gz PPJXDIYKSLTMBW-VHSXEESVSA-N 1 0 322.365 1.392 20 5 DDBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000531634629 421641189 /nfs/dbraw/zinc/64/11/89/421641189.db2.gz BSILMQBNOYCVHL-BXUZGUMPSA-N 1 0 306.366 1.792 20 5 DDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000571577375 421728210 /nfs/dbraw/zinc/72/82/10/421728210.db2.gz OWLBBQTYIFDNEC-QWRGUYRKSA-N 1 0 318.377 1.992 20 5 DDBDRO CN(CCC[NH3+])S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000581310173 421947902 /nfs/dbraw/zinc/94/79/02/421947902.db2.gz MUWKWZCPXSDUAJ-UHFFFAOYSA-N 1 0 324.362 1.112 20 5 DDBDRO CS(=O)(=O)C1(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000602638220 422436328 /nfs/dbraw/zinc/43/63/28/422436328.db2.gz NZFOJCHZYXWODK-UHFFFAOYSA-N 1 0 312.391 1.694 20 5 DDBDRO C[C@H](C(=O)NCCNc1ccccc1[N+](=O)[O-])[NH+]1CC(C)C1 ZINC000578347688 422552745 /nfs/dbraw/zinc/55/27/45/422552745.db2.gz JBKIKCWJGCXYIG-GFCCVEGCSA-N 1 0 306.366 1.463 20 5 DDBDRO NC(=O)c1cccc(NC2CC[NH+](CC3CC3)CC2)c1[N+](=O)[O-] ZINC000341570406 271122701 /nfs/dbraw/zinc/12/27/01/271122701.db2.gz GBDLEXUEZMNBMF-UHFFFAOYSA-N 1 0 318.377 1.980 20 5 DDBDRO Cn1cc([C@H]([NH2+]CCn2ccc([N+](=O)[O-])n2)C(C)(C)C)cn1 ZINC000342337625 271381261 /nfs/dbraw/zinc/38/12/61/271381261.db2.gz MUDQSFJZQPLKSD-ZDUSSCGKSA-N 1 0 306.370 1.902 20 5 DDBDRO CCN1CC[NH+](C[C@@H](C)CNc2ccc([N+](=O)[O-])nc2)CC1 ZINC000344416436 272020923 /nfs/dbraw/zinc/02/09/23/272020923.db2.gz JDYZOXRTRCPRKI-ZDUSSCGKSA-N 1 0 307.398 1.675 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC(CC[NH+]3CCOCC3)CC2)cn1 ZINC000344431359 272025264 /nfs/dbraw/zinc/02/52/64/272025264.db2.gz FWQWLJYKZNABKP-UHFFFAOYSA-N 1 0 320.393 1.929 20 5 DDBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@]1(O)CCN(C)C1 ZINC000344869428 272132328 /nfs/dbraw/zinc/13/23/28/272132328.db2.gz RSIKXSZJQXYRFY-OIQJVACTSA-N 1 0 305.378 1.654 20 5 DDBDRO CCc1nn(C)c(N[C@@H](CO)CC[NH+](CC)CC)c1[N+](=O)[O-] ZINC000340884828 273777064 /nfs/dbraw/zinc/77/70/64/273777064.db2.gz WINVFTHWWMQTBG-LLVKDONJSA-N 1 0 313.402 1.395 20 5 DDBDRO C[C@@H]1CN(c2nccc3ccc([N+](=O)[O-])cc32)CC[N@@H+]1CCO ZINC000413251928 274370621 /nfs/dbraw/zinc/37/06/21/274370621.db2.gz RHANKJKIDOJFLE-GFCCVEGCSA-N 1 0 316.361 1.646 20 5 DDBDRO C[C@H](O)C[NH+]1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000189424176 274537088 /nfs/dbraw/zinc/53/70/88/274537088.db2.gz MEZVHMZQMZLENX-NSHDSACASA-N 1 0 313.785 1.747 20 5 DDBDRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000423545355 274565519 /nfs/dbraw/zinc/56/55/19/274565519.db2.gz AWAYNVVSOUDYEY-GXFFZTMASA-N 1 0 314.345 1.871 20 5 DDBDRO Cn1nccc1CC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000276264621 274903891 /nfs/dbraw/zinc/90/38/91/274903891.db2.gz BUDXDUQEDGTEOY-UHFFFAOYSA-N 1 0 315.377 1.693 20 5 DDBDRO CC(C)[C@@H](C[NH3+])C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000433148026 275668877 /nfs/dbraw/zinc/66/88/77/275668877.db2.gz PVVIJOMUAWXSRG-WCQYABFASA-N 1 0 321.381 1.234 20 5 DDBDRO CC(C)(C)c1ccc(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1[N+](=O)[O-] ZINC000294692545 275846693 /nfs/dbraw/zinc/84/66/93/275846693.db2.gz AGSVZFKTZWDCET-YABSGUDNSA-N 1 0 303.362 1.840 20 5 DDBDRO CCC[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@H]1CC(=O)N(C)C1=O ZINC000338332323 276000316 /nfs/dbraw/zinc/00/03/16/276000316.db2.gz KEZCUWPAAFYHPL-AWEZNQCLSA-N 1 0 319.361 1.607 20 5 DDBDRO CC[N@H+](C)CCNC(=O)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC000412116270 276069209 /nfs/dbraw/zinc/06/92/09/276069209.db2.gz KGHNTWITXCLTJL-UHFFFAOYSA-N 1 0 313.329 1.353 20 5 DDBDRO CC[N@H+](CCNC(=O)c1ccc([N+](=O)[O-])cc1OC)C1CC1 ZINC000277556445 276130474 /nfs/dbraw/zinc/13/04/74/276130474.db2.gz JLICUYWVXMNVIL-UHFFFAOYSA-N 1 0 307.350 1.818 20 5 DDBDRO CCOC(=O)c1ccnc(N2CC[NH2+]C(C)(C)C2)c1[N+](=O)[O-] ZINC000420268077 276300628 /nfs/dbraw/zinc/30/06/28/276300628.db2.gz DOYOXMHCJFECPJ-UHFFFAOYSA-N 1 0 308.338 1.355 20 5 DDBDRO C[NH2+]C[C@@H](C)CN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000423273561 277026317 /nfs/dbraw/zinc/02/63/17/277026317.db2.gz LCSSKPMWICCROM-IUODEOHRSA-N 1 0 317.393 1.863 20 5 DDBDRO C[N@@H+]1CCO[C@@H]2CN(c3ccc4ncccc4c3[N+](=O)[O-])C[C@@H]21 ZINC000153187170 277124718 /nfs/dbraw/zinc/12/47/18/277124718.db2.gz RCMXGAJOFAHAOL-LSDHHAIUSA-N 1 0 314.345 1.662 20 5 DDBDRO C[NH2+]C[C@H]1CCCN([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000430605039 277283223 /nfs/dbraw/zinc/28/32/23/277283223.db2.gz PKGAVFWCUUHKLG-QWHCGFSZSA-N 1 0 320.393 1.853 20 5 DDBDRO C[C@@H]1[C@H](N2CCOCC2)CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000289926243 279118303 /nfs/dbraw/zinc/11/83/03/279118303.db2.gz URGVVZBQDTVQAX-CZUORRHYSA-N 1 0 305.378 1.890 20 5 DDBDRO Cc1n[nH]c(C(=O)N2CC[N@@H+](C3CC3)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000295425853 280188248 /nfs/dbraw/zinc/18/82/48/280188248.db2.gz UJKSOZLRZBBUIA-SECBINFHSA-N 1 0 307.354 1.183 20 5 DDBDRO Cc1n[nH]c(C(=O)NCCCC[N@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000299435449 280189346 /nfs/dbraw/zinc/18/93/46/280189346.db2.gz GXEJNFBXRKWARZ-NSHDSACASA-N 1 0 323.397 1.868 20 5 DDBDRO O=C(CCN1CC[NH+](C2CC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000126083126 281225967 /nfs/dbraw/zinc/22/59/67/281225967.db2.gz PWDLLHNRIRGGCN-UHFFFAOYSA-N 1 0 318.377 1.703 20 5 DDBDRO CC(C)C[C@H](C[NH3+])NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000130949819 281400227 /nfs/dbraw/zinc/40/02/27/281400227.db2.gz GJJUMZPUFINWLT-GFCCVEGCSA-N 1 0 315.395 1.388 20 5 DDBDRO CN(C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)C1CC[NH+](C)CC1 ZINC000330573777 288784348 /nfs/dbraw/zinc/78/43/48/288784348.db2.gz NYGUFFQRLJAZDC-UHFFFAOYSA-N 1 0 309.370 1.079 20 5 DDBDRO CNC(=O)CCC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447529675 290384565 /nfs/dbraw/zinc/38/45/65/290384565.db2.gz MOPMKGKAQPALON-RYUDHWBXSA-N 1 0 309.370 1.391 20 5 DDBDRO COc1ccc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c(C)c1 ZINC000573237151 304585136 /nfs/dbraw/zinc/58/51/36/304585136.db2.gz ZOKCIQOSRPDXLP-AWEZNQCLSA-N 1 0 320.349 1.259 20 5 DDBDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000362972742 300191330 /nfs/dbraw/zinc/19/13/30/300191330.db2.gz ANUWQWHOPWDAFT-LXTVHRRPSA-N 1 0 309.410 1.765 20 5 DDBDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000362972740 300191407 /nfs/dbraw/zinc/19/14/07/300191407.db2.gz ANUWQWHOPWDAFT-CBBWQLFWSA-N 1 0 309.410 1.765 20 5 DDBDRO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)c1ccc([N+](=O)[O-])cn1 ZINC000363874437 300319869 /nfs/dbraw/zinc/31/98/69/300319869.db2.gz JESNGQPTZPVPSG-NSHDSACASA-N 1 0 304.350 1.737 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000364020016 300335747 /nfs/dbraw/zinc/33/57/47/300335747.db2.gz XKXIWJXPHMZODY-RYUDHWBXSA-N 1 0 319.361 1.960 20 5 DDBDRO [NH3+][C@@H]1CCC[C@]12CCN(C(=O)COc1ccc([N+](=O)[O-])cc1)C2 ZINC000364262343 300364876 /nfs/dbraw/zinc/36/48/76/300364876.db2.gz VMWPPNKXSWBKNY-GDBMZVCRSA-N 1 0 319.361 1.704 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CCN(c3nc4sccn4c3[N+](=O)[O-])C[C@H]21 ZINC000364300792 300372420 /nfs/dbraw/zinc/37/24/20/300372420.db2.gz GURFOZRAFNSNMS-NXEZZACHSA-N 1 0 307.379 1.834 20 5 DDBDRO O=C(CNc1ccccc1[N+](=O)[O-])N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000365236077 300488451 /nfs/dbraw/zinc/48/84/51/300488451.db2.gz AWBBHZLBXSWFAH-WCQYABFASA-N 1 0 304.350 1.217 20 5 DDBDRO CC(C)[C@H](C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)[NH+](C)C ZINC000365926863 300610178 /nfs/dbraw/zinc/61/01/78/300610178.db2.gz GDIVFBYCNZPXHF-CQSZACIVSA-N 1 0 323.397 1.541 20 5 DDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000193398493 301014896 /nfs/dbraw/zinc/01/48/96/301014896.db2.gz PKMYYUQZIJFBRR-ONGXEEELSA-N 1 0 313.379 1.180 20 5 DDBDRO CC(C)(C)C(=O)N1CCCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000368403778 301020253 /nfs/dbraw/zinc/02/02/53/301020253.db2.gz GKWVZXFTHZVAOY-UHFFFAOYSA-N 1 0 323.397 1.372 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(F)cc3[N+](=O)[O-])C[C@@H]21 ZINC000368590257 301059834 /nfs/dbraw/zinc/05/98/34/301059834.db2.gz KJKJCAFWGXTFHR-YGRLFVJLSA-N 1 0 307.325 1.900 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000575138073 304718569 /nfs/dbraw/zinc/71/85/69/304718569.db2.gz OYDUCWXPACMXEN-GFCCVEGCSA-N 1 0 309.370 1.019 20 5 DDBDRO CN1CC[NH+](C[C@H]2CCCN(c3ncccc3[N+](=O)[O-])C2)CC1 ZINC000369027632 301121090 /nfs/dbraw/zinc/12/10/90/301121090.db2.gz PSHMFEFJUPZKPX-CQSZACIVSA-N 1 0 319.409 1.454 20 5 DDBDRO Cc1cc(C)c(S(=O)(=O)N[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000193233095 301199582 /nfs/dbraw/zinc/19/95/82/301199582.db2.gz QDHQRYZQMCSKLL-NSHDSACASA-N 1 0 313.379 1.242 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000370445626 301340803 /nfs/dbraw/zinc/34/08/03/301340803.db2.gz WHMUTWSFPFXMPS-SMDDNHRTSA-N 1 0 319.361 1.770 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1CCCC[C@@H]1n1cccn1 ZINC000372268925 301541376 /nfs/dbraw/zinc/54/13/76/301541376.db2.gz USSJRNJYJVIXGD-RYUDHWBXSA-N 1 0 304.354 1.798 20 5 DDBDRO O=C(COc1ccccc1[N+](=O)[O-])N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000373066529 301657678 /nfs/dbraw/zinc/65/76/78/301657678.db2.gz SBZRTVWBDUKOLN-NEPJUHHUSA-N 1 0 305.334 1.184 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CC[C@H]2OCC[C@H]2C1 ZINC000376048122 302031138 /nfs/dbraw/zinc/03/11/38/302031138.db2.gz PYFBGFASRWGYQX-GZBFAFLISA-N 1 0 322.361 1.445 20 5 DDBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)NCC1CC[NH2+]CC1 ZINC000515430924 302775330 /nfs/dbraw/zinc/77/53/30/302775330.db2.gz JOUNOUQEMUKRDS-UHFFFAOYSA-N 1 0 309.391 1.803 20 5 DDBDRO Cc1cc(C)cc(CC[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000517359716 302811523 /nfs/dbraw/zinc/81/15/23/302811523.db2.gz MUXGZEKLHHFCQN-MRXNPFEDSA-N 1 0 318.377 1.601 20 5 DDBDRO O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CC[NH+]2CCC1CC2 ZINC000357002204 306866934 /nfs/dbraw/zinc/86/69/34/306866934.db2.gz VAOCVSLLGUDLPE-UHFFFAOYSA-N 1 0 314.345 1.996 20 5 DDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@H]2CC[C@@H](CO)O2)n1 ZINC000559869912 303795579 /nfs/dbraw/zinc/79/55/79/303795579.db2.gz DDYLXYDAFKTFCR-XJFOESAGSA-N 1 0 324.381 1.405 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H]1C[C@@H](O)C1(C)C ZINC000563362065 303944591 /nfs/dbraw/zinc/94/45/91/303944591.db2.gz YTPPDPNFQKPOER-ZIAGYGMSSA-N 1 0 321.377 1.981 20 5 DDBDRO [NH3+][C@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)C[C@@H]1c1ccc(F)cc1 ZINC000364164728 307042461 /nfs/dbraw/zinc/04/24/61/307042461.db2.gz BSTTUAHIMLLDOI-NEPJUHHUSA-N 1 0 319.292 1.894 20 5 DDBDRO C[C@]1(CNC(=O)[C@H]2C[C@H]2[N+](=O)[O-])CCC[N@@H+]1Cc1ccccc1 ZINC000373608741 307192038 /nfs/dbraw/zinc/19/20/38/307192038.db2.gz DTVBFYPHPNCEIB-ZMSDIMECSA-N 1 0 317.389 1.823 20 5 DDBDRO O=C(CCn1cc([N+](=O)[O-])cn1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000374434446 307208090 /nfs/dbraw/zinc/20/80/90/307208090.db2.gz AYNJSYSVPYPWSR-CQSZACIVSA-N 1 0 321.381 1.172 20 5 DDBDRO O=C1OCC[C@@H]2CCN(C[C@H](O)c3cccc([N+](=O)[O-])c3)[C@H]12 ZINC000376333326 307242737 /nfs/dbraw/zinc/24/27/37/307242737.db2.gz NHKBPPSQHGHKHU-BPNCWPANSA-N 1 0 306.318 1.266 20 5 DDBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@H](c3nnc[nH]3)C2)c1 ZINC000377988180 307279835 /nfs/dbraw/zinc/27/98/35/307279835.db2.gz JNRZXPBBYFVXEG-LBPRGKRZSA-N 1 0 317.349 1.971 20 5 DDBDRO O=[N+]([O-])c1cc2c(nc1N1CC[C@H]3C[NH2+]C[C@H]3C1)CCCC2 ZINC000516065864 307411923 /nfs/dbraw/zinc/41/19/23/307411923.db2.gz WHGQMXMTOGGVGW-STQMWFEESA-N 1 0 302.378 1.914 20 5 DDBDRO O=[N+]([O-])c1cc2c(nc1N1CC[C@H]3C[NH2+]C[C@@H]3C1)CCCC2 ZINC000516065863 307411926 /nfs/dbraw/zinc/41/19/26/307411926.db2.gz WHGQMXMTOGGVGW-QWHCGFSZSA-N 1 0 302.378 1.914 20 5 DDBDRO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000535835097 307660546 /nfs/dbraw/zinc/66/05/46/307660546.db2.gz HPOZLQADWSGPFW-JTQLQIEISA-N 1 0 315.395 1.479 20 5 DDBDRO CNc1ccc(C(=O)N2CCC(C[NH2+]C)CC2)cc1[N+](=O)[O-] ZINC000563100979 307956655 /nfs/dbraw/zinc/95/66/55/307956655.db2.gz MIWAEMJTHPWTML-UHFFFAOYSA-N 1 0 306.366 1.708 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H]1CC[C@H](O)CC1 ZINC000563805428 307982615 /nfs/dbraw/zinc/98/26/15/307982615.db2.gz GQPGMLMKZXLMGR-JHJVBQTASA-N 1 0 310.350 1.228 20 5 DDBDRO O=C(NCC1CC[NH2+]CC1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000564836188 308007811 /nfs/dbraw/zinc/00/78/11/308007811.db2.gz LPEJVHJDCVWBOR-UHFFFAOYSA-N 1 0 321.333 1.095 20 5 DDBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000566975267 308067500 /nfs/dbraw/zinc/06/75/00/308067500.db2.gz YPFVKQCJTJCNEP-WDEREUQCSA-N 1 0 317.349 1.636 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@H]([NH3+])C[C@@H]1C ZINC000569469378 308145066 /nfs/dbraw/zinc/14/50/66/308145066.db2.gz WNGLKKZFVCSOEP-RYUDHWBXSA-N 1 0 306.366 1.653 20 5 DDBDRO CC(C)(C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccn1 ZINC000573597825 308246309 /nfs/dbraw/zinc/24/63/09/308246309.db2.gz WLWJHVHEJRNHGX-CYBMUJFWSA-N 1 0 319.365 1.115 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)NCC2CC[NH+](CC)CC2)n1 ZINC000576568921 308323642 /nfs/dbraw/zinc/32/36/42/308323642.db2.gz ADAMACFUVBQEQW-UHFFFAOYSA-N 1 0 309.370 1.273 20 5 DDBDRO COc1ccc(OCCN2CC[C@@H]([NH3+])C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000576766229 308338529 /nfs/dbraw/zinc/33/85/29/308338529.db2.gz TUKSKCSBKIQOMS-NWDGAFQWSA-N 1 0 309.366 1.794 20 5 DDBDRO CCc1ccc(S(=O)(=O)NC2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000577177201 308368257 /nfs/dbraw/zinc/36/82/57/308368257.db2.gz KXDMRCSNVUOVCP-UHFFFAOYSA-N 1 0 313.379 1.188 20 5 DDBDRO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000578139845 308440710 /nfs/dbraw/zinc/44/07/10/308440710.db2.gz FHWSJKXIROYGED-NEPJUHHUSA-N 1 0 307.350 1.702 20 5 DDBDRO O=C(NCC[C@H]1CC[NH2+]C1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000578970575 308497355 /nfs/dbraw/zinc/49/73/55/308497355.db2.gz LFWNNMLHFXWAQN-GFCCVEGCSA-N 1 0 318.377 1.662 20 5 DDBDRO Cc1cccc2c1CC[C@@H]2[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000580184766 308585531 /nfs/dbraw/zinc/58/55/31/308585531.db2.gz SOJZQBANJGZDCX-CJNGLKHVSA-N 1 0 316.361 1.738 20 5 DDBDRO COc1ccc(C[NH2+][C@H](C)C[C@H]2COCCN2)cc1[N+](=O)[O-] ZINC000422951212 533697761 /nfs/dbraw/zinc/69/77/61/533697761.db2.gz ZWAARSCEDWYBJX-YPMHNXCESA-N 1 0 309.366 1.460 20 5 DDBDRO Cc1cc(F)ccc1CC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000390922307 325784514 /nfs/dbraw/zinc/78/45/14/325784514.db2.gz HLCSRDITCKBVTF-OAHLLOKOSA-N 1 0 322.340 1.432 20 5 DDBDRO CC(C)[NH2+]CCCNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000583993492 331532217 /nfs/dbraw/zinc/53/22/17/331532217.db2.gz HETZPHUIHDAAIY-UHFFFAOYSA-N 1 0 315.395 1.402 20 5 DDBDRO COc1ccc(CC(=O)NCC[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000583559364 335727596 /nfs/dbraw/zinc/72/75/96/335727596.db2.gz HYENGQBBQBDTAU-GFCCVEGCSA-N 1 0 321.377 1.652 20 5 DDBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC2(CC[NH2+]2)CC1 ZINC000582844707 337208456 /nfs/dbraw/zinc/20/84/56/337208456.db2.gz HYIMJMITARLMPH-UHFFFAOYSA-N 1 0 303.362 1.882 20 5 DDBDRO [NH3+][C@H]1CCCO[C@@H]1C1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000583135318 337243204 /nfs/dbraw/zinc/24/32/04/337243204.db2.gz PBKJECCCHADNNH-DZGCQCFKSA-N 1 0 306.366 1.713 20 5 DDBDRO COc1cc(C(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)c([N+](=O)[O-])cc1F ZINC000590767510 483927258 /nfs/dbraw/zinc/92/72/58/483927258.db2.gz ILGYEBQLIKQDOU-TVQRCGJNSA-N 1 0 323.324 1.519 20 5 DDBDRO COC(=O)c1cc(C(=O)N[C@H](C[NH3+])CC(C)C)cc([N+](=O)[O-])c1 ZINC000422835000 533741952 /nfs/dbraw/zinc/74/19/52/533741952.db2.gz OOCCQZLEXIXQFQ-LBPRGKRZSA-N 1 0 323.349 1.485 20 5 DDBDRO C[C@@H]1CN(C(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000493414992 534274496 /nfs/dbraw/zinc/27/44/96/534274496.db2.gz GDWOMIQLKGBEBY-NEQXKTFVSA-N 1 0 307.325 1.943 20 5 DDBDRO [NH3+]CC[C@@H](NC(=O)CCNc1ccccc1[N+](=O)[O-])C(F)F ZINC000449609405 534640598 /nfs/dbraw/zinc/64/05/98/534640598.db2.gz BJRJTGJNHHQFAU-SNVBAGLBSA-N 1 0 316.308 1.496 20 5 DDBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000491561350 534776636 /nfs/dbraw/zinc/77/66/36/534776636.db2.gz JRXKHSIFJNDSNL-ZHAHRWAOSA-N 1 0 301.346 1.961 20 5 DDBDRO CC[NH+]1C[C@@H](C)N(CC(=O)Nc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000330825863 527928166 /nfs/dbraw/zinc/92/81/66/527928166.db2.gz IITFEEWEBYUZRJ-CHWSQXEVSA-N 1 0 320.393 1.948 20 5 DDBDRO CC(C)[NH+]1CCC(N(C)C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000298817452 528989599 /nfs/dbraw/zinc/98/95/99/528989599.db2.gz LWUISTIZOZQCPR-UHFFFAOYSA-N 1 0 309.370 1.123 20 5 DDBDRO COc1cc(F)c([N+](=O)[O-])c(NCCN2CC[NH+](C)CC2)c1 ZINC000747204375 700059996 /nfs/dbraw/zinc/05/99/96/700059996.db2.gz CNIDZDAPEKKHEB-UHFFFAOYSA-N 1 0 312.345 1.402 20 5 DDBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)s1 ZINC000049182740 696222040 /nfs/dbraw/zinc/22/20/40/696222040.db2.gz AGSATYMMKNHGFU-ZYHUDNBSSA-N 1 0 310.379 1.873 20 5 DDBDRO CC(C)[C@H]([NH3+])CNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000124442636 696742804 /nfs/dbraw/zinc/74/28/04/696742804.db2.gz FUYNUYXOHNPSQA-SECBINFHSA-N 1 0 321.786 1.510 20 5 DDBDRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2csc([N+](=O)[O-])c2)C1)C(F)F ZINC000982959317 697195825 /nfs/dbraw/zinc/19/58/25/697195825.db2.gz ZCEOYLDKYBWUGK-XWEPSHTISA-N 1 0 319.333 1.906 20 5 DDBDRO CCN(CC)C(=O)C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000774141997 697848033 /nfs/dbraw/zinc/84/80/33/697848033.db2.gz WXPDNWQBLLPKEJ-OLZOCXBDSA-N 1 0 323.397 1.733 20 5 DDBDRO CCS(=O)(=O)C[C@@H](C)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000775385540 697990768 /nfs/dbraw/zinc/99/07/68/697990768.db2.gz LMLROAXRKAFHRA-ZWNOBZJWSA-N 1 0 316.379 1.041 20 5 DDBDRO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776583090 698121708 /nfs/dbraw/zinc/12/17/08/698121708.db2.gz ZLXFRRANJPGGTM-SCDSUCTJSA-N 1 0 307.350 1.214 20 5 DDBDRO COc1ccc(CN2CCN([C@H]3CC[NH2+]C3)CC2)cc1[N+](=O)[O-] ZINC000261632222 698429918 /nfs/dbraw/zinc/42/99/18/698429918.db2.gz DFAYVQQFZNQBJL-AWEZNQCLSA-N 1 0 320.393 1.083 20 5 DDBDRO C[C@H]1CCC[N@@H+]1CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000780868436 698566301 /nfs/dbraw/zinc/56/63/01/698566301.db2.gz XFLZNWXWKOGPJT-NSHDSACASA-N 1 0 313.379 1.357 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000782613671 698750517 /nfs/dbraw/zinc/75/05/17/698750517.db2.gz BLBOUXBJQLIGNH-BLLLJJGKSA-N 1 0 319.361 1.546 20 5 DDBDRO CN(CC(=O)N1CC[C@@]2(CCC[NH2+]2)C1)c1ccccc1[N+](=O)[O-] ZINC000424021227 699147334 /nfs/dbraw/zinc/14/73/34/699147334.db2.gz BBPAHKZFQGQDFA-INIZCTEOSA-N 1 0 318.377 1.386 20 5 DDBDRO COC(=O)[C@@H]1CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000787326593 699206188 /nfs/dbraw/zinc/20/61/88/699206188.db2.gz IMCGWWXDCBCSOX-LERXQTSPSA-N 1 0 308.334 1.512 20 5 DDBDRO [NH3+]C[C@@H](NC(=O)c1cccc(Cl)c1[N+](=O)[O-])C(F)(F)F ZINC000701067749 699225540 /nfs/dbraw/zinc/22/55/40/699225540.db2.gz IEUFAVWNRXQPIN-SSDOTTSWSA-N 1 0 311.647 1.868 20 5 DDBDRO CN1CC[C@@H]1CNc1ncc(Br)cc1[N+](=O)[O-] ZINC000712532592 699263379 /nfs/dbraw/zinc/26/33/79/699263379.db2.gz XKRJDHJUGJUNJY-MRVPVSSYSA-N 1 0 301.144 1.868 20 5 DDBDRO C[NH+](C)C[C@@H](O)CNc1ccc(Br)cc1[N+](=O)[O-] ZINC000717402221 699288995 /nfs/dbraw/zinc/28/89/95/699288995.db2.gz QKPAFNRHPXFDRY-VIFPVBQESA-N 1 0 318.171 1.692 20 5 DDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@]23CC[NH2+]C3)cc1 ZINC000725374127 699331268 /nfs/dbraw/zinc/33/12/68/699331268.db2.gz HFYMBLSIIVDOCE-CYBMUJFWSA-N 1 0 311.363 1.111 20 5 DDBDRO C[C@H]1OCC[C@]1(O)C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000789776518 699408283 /nfs/dbraw/zinc/40/82/83/699408283.db2.gz GEYPBJDJMPNXKT-RNCFNFMXSA-N 1 0 300.742 1.878 20 5 DDBDRO CC(C)(COc1ncccc1Br)[NH2+]CC[N+](=O)[O-] ZINC000791055753 699609249 /nfs/dbraw/zinc/60/92/49/699609249.db2.gz WYOWZSNFBNHPOQ-UHFFFAOYSA-N 1 0 318.171 1.868 20 5 DDBDRO C[S@](=O)CCC[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000735085003 699676860 /nfs/dbraw/zinc/67/68/60/699676860.db2.gz HCYKCFLCVNHPLH-NRFANRHFSA-N 1 0 314.363 1.224 20 5 DDBDRO COc1ccc(CC(=O)NCC[N@@H+]2CCC[C@H]2C)cc1[N+](=O)[O-] ZINC000744349547 699946351 /nfs/dbraw/zinc/94/63/51/699946351.db2.gz KSXNXPVMLBDNDE-GFCCVEGCSA-N 1 0 321.377 1.746 20 5 DDBDRO COC(=O)/C=C\c1ccc(NCC[NH+]2CCC2)c([N+](=O)[O-])c1 ZINC000751941705 700328292 /nfs/dbraw/zinc/32/82/92/700328292.db2.gz WZOVHSXXRIQOSO-XQRVVYSFSA-N 1 0 305.334 1.899 20 5 DDBDRO CC[N@@H+]1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC)C[C@@H]1C ZINC000754079787 700481617 /nfs/dbraw/zinc/48/16/17/700481617.db2.gz LTTIGIGTZUNFBD-NSHDSACASA-N 1 0 306.366 1.485 20 5 DDBDRO Cc1cc(C(=O)N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)c(N)c([N+](=O)[O-])c1 ZINC000758336321 700699576 /nfs/dbraw/zinc/69/95/76/700699576.db2.gz PVEFHNWFDPSHDM-GWCFXTLKSA-N 1 0 318.377 1.698 20 5 DDBDRO CC(C)n1cc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)nn1 ZINC000809736158 701684191 /nfs/dbraw/zinc/68/41/91/701684191.db2.gz HORYBZNRVCSSLS-UHFFFAOYSA-N 1 0 304.354 1.733 20 5 DDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000839711265 701792677 /nfs/dbraw/zinc/79/26/77/701792677.db2.gz UUAWVIBJQWDLEF-HUUCEWRRSA-N 1 0 309.410 1.766 20 5 DDBDRO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839729424 701800629 /nfs/dbraw/zinc/80/06/29/701800629.db2.gz XWHYBZIWTHZGEZ-BZUAXINKSA-N 1 0 319.405 1.924 20 5 DDBDRO C[NH+](C)[C@H]1CCCN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000831116052 706637674 /nfs/dbraw/zinc/63/76/74/706637674.db2.gz UUFOMTAWTLUAOH-DZGCQCFKSA-N 1 0 321.377 1.571 20 5 DDBDRO Cc1ccc(CNC(=O)NC[C@@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000868362398 702084124 /nfs/dbraw/zinc/08/41/24/702084124.db2.gz WZAJWSGXFFDGOF-ZDUSSCGKSA-N 1 0 306.366 1.797 20 5 DDBDRO Cc1ccc(CNC(=O)NC[C@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000868362397 702084445 /nfs/dbraw/zinc/08/44/45/702084445.db2.gz WZAJWSGXFFDGOF-CYBMUJFWSA-N 1 0 306.366 1.797 20 5 DDBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1CCCCNC1=O ZINC000866230693 706655536 /nfs/dbraw/zinc/65/55/36/706655536.db2.gz ZMPDLAOYOJLEQI-GWCFXTLKSA-N 1 0 309.341 1.923 20 5 DDBDRO [NH3+]CCN(CCO)Cc1c(Br)cccc1[N+](=O)[O-] ZINC000841058415 702330334 /nfs/dbraw/zinc/33/03/34/702330334.db2.gz GKAPLFHRLVRWHL-UHFFFAOYSA-N 1 0 318.171 1.110 20 5 DDBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000868927124 702389793 /nfs/dbraw/zinc/38/97/93/702389793.db2.gz HZAALTVMUHVOFI-GFCCVEGCSA-N 1 0 309.341 1.829 20 5 DDBDRO C[C@@H](NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[C@H](C)[NH3+] ZINC000841255049 702404602 /nfs/dbraw/zinc/40/46/02/702404602.db2.gz BBAQNGMXFBUZQM-NKWVEPMBSA-N 1 0 314.729 1.039 20 5 DDBDRO Cc1cc(C(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)c(N)c([N+](=O)[O-])c1 ZINC000818009609 702552451 /nfs/dbraw/zinc/55/24/51/702552451.db2.gz WNWZVJGZVYHNAR-GHMZBOCLSA-N 1 0 306.366 1.542 20 5 DDBDRO C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000818010974 702553074 /nfs/dbraw/zinc/55/30/74/702553074.db2.gz SDNYNWGIYXDFKO-KOLCDFICSA-N 1 0 322.321 1.560 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CCC2(CC[NH2+]2)CC1 ZINC000818021902 702557189 /nfs/dbraw/zinc/55/71/89/702557189.db2.gz NWHNOWNCJGGJFE-UHFFFAOYSA-N 1 0 323.324 1.467 20 5 DDBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCN1CCCC1=O ZINC000866383057 706686169 /nfs/dbraw/zinc/68/61/69/706686169.db2.gz DIQGNSFYTMVIAV-NSHDSACASA-N 1 0 309.341 1.877 20 5 DDBDRO Cc1cc(Cl)c(S(=O)(=O)N[C@H]2C[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000842799158 702775802 /nfs/dbraw/zinc/77/58/02/702775802.db2.gz DYMVZGNKVOGLSM-ZKCHVHJHSA-N 1 0 319.770 1.325 20 5 DDBDRO O=[N+]([O-])c1ccccc1NCCc1noc(C[C@@H]2CCC[NH2+]2)n1 ZINC000843184090 702835866 /nfs/dbraw/zinc/83/58/66/702835866.db2.gz DRFVKIDNSRZXJG-NSHDSACASA-N 1 0 317.349 1.927 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000843338853 702862165 /nfs/dbraw/zinc/86/21/65/702862165.db2.gz XSENRYBXWXSVSW-NSHDSACASA-N 1 0 306.366 1.390 20 5 DDBDRO CC(C)([NH3+])CNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000843354134 702864893 /nfs/dbraw/zinc/86/48/93/702864893.db2.gz USTOQNYSWCEEBA-UHFFFAOYSA-N 1 0 303.721 1.783 20 5 DDBDRO CC[NH2+][C@H](C)CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000843474415 702889315 /nfs/dbraw/zinc/88/93/15/702889315.db2.gz QUAWTUBZWKCXPC-GFCCVEGCSA-N 1 0 320.393 1.923 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CC[C@@](C)(C[NH3+])C2)cc1[N+](=O)[O-] ZINC000843474590 702889334 /nfs/dbraw/zinc/88/93/34/702889334.db2.gz RQGAVNCHOBGSEP-AWEZNQCLSA-N 1 0 322.321 1.622 20 5 DDBDRO Cc1c(CNC(=O)CO[C@H]2CCC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000843496229 702893712 /nfs/dbraw/zinc/89/37/12/702893712.db2.gz UUDDLHWXRNAQTB-ZDUSSCGKSA-N 1 0 307.350 1.288 20 5 DDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000843504757 702896563 /nfs/dbraw/zinc/89/65/63/702896563.db2.gz SCZOJUCPCNBJDU-SNVBAGLBSA-N 1 0 304.350 1.582 20 5 DDBDRO C[NH2+]C[C@](C)(O)CN(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000846217220 703252128 /nfs/dbraw/zinc/25/21/28/703252128.db2.gz DMTZLBMTGIGCQR-ZDUSSCGKSA-N 1 0 301.774 1.650 20 5 DDBDRO CN1C[C@@H]([N@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCC1=O ZINC000846921252 703351826 /nfs/dbraw/zinc/35/18/26/703351826.db2.gz REWZLMBIIVVDEW-UONOGXRCSA-N 1 0 307.350 1.181 20 5 DDBDRO Nc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000848353162 703542266 /nfs/dbraw/zinc/54/22/66/703542266.db2.gz YIITWRMBONOIPY-QWHCGFSZSA-N 1 0 319.365 1.319 20 5 DDBDRO C[NH2+]C(C)(C)CNC(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000848585700 703565862 /nfs/dbraw/zinc/56/58/62/703565862.db2.gz NZOHHTZQLGSPLY-UHFFFAOYSA-N 1 0 317.292 1.681 20 5 DDBDRO Cc1nc([N+](=O)[O-])c(-c2noc([C@@H]3C[C@]34CCC[NH2+]C4)n2)n1C ZINC000848626346 703569826 /nfs/dbraw/zinc/56/98/26/703569826.db2.gz BBTUDICNQOAQGX-XPTSAGLGSA-N 1 0 318.337 1.544 20 5 DDBDRO COc1cccc([N+](=O)[O-])c1NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000848659583 703572878 /nfs/dbraw/zinc/57/28/78/703572878.db2.gz MPSLQAVJWCFHTJ-VXGBXAGGSA-N 1 0 307.350 1.879 20 5 DDBDRO O=C(NC[C@@H]1CCC[NH2+]C1)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000848940340 703605376 /nfs/dbraw/zinc/60/53/76/703605376.db2.gz JRWDSCZTLGKMIR-MRVPVSSYSA-N 1 0 321.362 1.329 20 5 DDBDRO [NH3+][C@@H]1CN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC[C@H]1F ZINC000851648288 703822509 /nfs/dbraw/zinc/82/25/09/703822509.db2.gz AIXAVRKTVICKHD-MWLCHTKSSA-N 1 0 315.276 1.010 20 5 DDBDRO C[NH2+]C[C@H](C)NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000851682850 703830190 /nfs/dbraw/zinc/83/01/90/703830190.db2.gz ZKDYXFGLHWZSRI-LBPRGKRZSA-N 1 0 321.381 1.034 20 5 DDBDRO CC1(C)OC[C@@H](C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)O1 ZINC000851843155 703868784 /nfs/dbraw/zinc/86/87/84/703868784.db2.gz ATWWYMWDOLCOQL-DGCLKSJQSA-N 1 0 322.365 1.628 20 5 DDBDRO CC(C)[N@H+](C)C[C@@H](O)CN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000851869838 703874710 /nfs/dbraw/zinc/87/47/10/703874710.db2.gz SOEMWIHKIKLJLD-CQSZACIVSA-N 1 0 307.394 1.654 20 5 DDBDRO CC(C)(C)C(=O)NCC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818989082 704044482 /nfs/dbraw/zinc/04/44/82/704044482.db2.gz IGIPTDTXMLFUCH-CYBMUJFWSA-N 1 0 309.366 1.380 20 5 DDBDRO COC(=O)C1CCC([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000819031144 704055156 /nfs/dbraw/zinc/05/51/56/704055156.db2.gz HLMFNCYHNVEOFI-HGMXIMQMSA-N 1 0 322.361 1.950 20 5 DDBDRO CC(C)(C)[S@](=O)CC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819054791 704060583 /nfs/dbraw/zinc/06/05/83/704060583.db2.gz BOZXSKLQZYREFA-LRTDBIEQSA-N 1 0 314.407 1.765 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@@](O)(C3CC3)C2)c1 ZINC000852500982 704064049 /nfs/dbraw/zinc/06/40/49/704064049.db2.gz HFWBVBZQQYVKLA-CVEARBPZSA-N 1 0 306.362 1.865 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@H]2CCc3c[nH]nc3C2)cc1 ZINC000819154242 704077670 /nfs/dbraw/zinc/07/76/70/704077670.db2.gz GCTPNVCFSNXMEI-WFASDCNBSA-N 1 0 302.334 1.498 20 5 DDBDRO COC1(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000819182931 704082982 /nfs/dbraw/zinc/08/29/82/704082982.db2.gz JJTQMJYJZQPTAT-AWEZNQCLSA-N 1 0 310.350 1.413 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@@H]2CCn3ccnc3C2)cc1 ZINC000819244436 704093977 /nfs/dbraw/zinc/09/39/77/704093977.db2.gz KGODXMUJGXFXQW-OCCSQVGLSA-N 1 0 302.334 1.429 20 5 DDBDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819285931 704100782 /nfs/dbraw/zinc/10/07/82/704100782.db2.gz KGLKMNMYQOGJMM-IPYPFGDCSA-N 1 0 322.361 1.950 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@H]2CCc3nc[nH]c3C2)cc1 ZINC000819321971 704107312 /nfs/dbraw/zinc/10/73/12/704107312.db2.gz OGRPXRRHNZKITM-NHYWBVRUSA-N 1 0 302.334 1.498 20 5 DDBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852821099 704136165 /nfs/dbraw/zinc/13/61/65/704136165.db2.gz GSBHXGJVEYRIHG-ZDUSSCGKSA-N 1 0 320.349 1.435 20 5 DDBDRO C[C@]12COC[C@H]1C[N@H+](Cn1ncc3cc([N+](=O)[O-])ccc31)C2 ZINC000853565542 704271977 /nfs/dbraw/zinc/27/19/77/704271977.db2.gz HBZNGGOPEKKTDR-DOMZBBRYSA-N 1 0 302.334 1.870 20 5 DDBDRO C[C@@H](CCNC(=O)COc1ccc(C=O)cc1[N+](=O)[O-])[NH+](C)C ZINC000855410838 704483576 /nfs/dbraw/zinc/48/35/76/704483576.db2.gz JUQUDEBWXDLGIC-NSHDSACASA-N 1 0 323.349 1.243 20 5 DDBDRO CC[C@@H]1CN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@H](C)[NH2+]1 ZINC000856407636 704527393 /nfs/dbraw/zinc/52/73/93/704527393.db2.gz WCHAWCUXDBSKLA-SUHUHFCYSA-N 1 0 307.350 1.227 20 5 DDBDRO CC(C)[C@H]1CN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000856490363 704531117 /nfs/dbraw/zinc/53/11/17/704531117.db2.gz JYIMVQMJAFEYMI-KGLIPLIRSA-N 1 0 307.350 1.085 20 5 DDBDRO CCc1ccc(S(=O)(=O)N(C)C[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000858639453 704738311 /nfs/dbraw/zinc/73/83/11/704738311.db2.gz ABVYXFSXZNKJOC-SECBINFHSA-N 1 0 301.368 1.125 20 5 DDBDRO C[C@H]([NH3+])CN(C)S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000858640515 704738512 /nfs/dbraw/zinc/73/85/12/704738512.db2.gz OMQOFCWGARKHDL-VIFPVBQESA-N 1 0 324.362 1.111 20 5 DDBDRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000822237613 704896436 /nfs/dbraw/zinc/89/64/36/704896436.db2.gz BLSXKQJMFCOXKK-ZDUSSCGKSA-N 1 0 315.414 1.295 20 5 DDBDRO O=C1OC[C@H]2C[N@@H+](CCCOc3ccc([N+](=O)[O-])cc3)C[C@@H]12 ZINC000860158275 705116669 /nfs/dbraw/zinc/11/66/69/705116669.db2.gz LGKVJVBXCVEFKN-BXUZGUMPSA-N 1 0 306.318 1.469 20 5 DDBDRO CC(=O)NC[C@H]1CCCC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000860176335 705123230 /nfs/dbraw/zinc/12/32/30/705123230.db2.gz CWPPCGXTUCIRBD-HZPDHXFCSA-N 1 0 321.377 1.619 20 5 DDBDRO CCC[NH+]1CCC(NC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000823911820 705338965 /nfs/dbraw/zinc/33/89/65/705338965.db2.gz VMTVHYURZSSYCP-HNNXBMFYSA-N 1 0 321.377 1.619 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000825188853 705619811 /nfs/dbraw/zinc/61/98/11/705619811.db2.gz QKOHCFCCBZIRID-GHMZBOCLSA-N 1 0 306.366 1.518 20 5 DDBDRO C[NH+](C)[C@H]1CCCN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000825630232 705706052 /nfs/dbraw/zinc/70/60/52/705706052.db2.gz BUBGZZFRRKDHPN-UONOGXRCSA-N 1 0 307.350 1.181 20 5 DDBDRO [NH3+]C1(CO)CCN(c2nc3c(cc2[N+](=O)[O-])CCCC3)CC1 ZINC000825753108 705726899 /nfs/dbraw/zinc/72/68/99/705726899.db2.gz FWCXTCXFHITXKN-UHFFFAOYSA-N 1 0 306.366 1.159 20 5 DDBDRO C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000876565221 705760380 /nfs/dbraw/zinc/76/03/80/705760380.db2.gz ZLSXHEMWWQKCHD-XZKJTIFOSA-N 1 0 318.377 1.535 20 5 DDBDRO CC1CCN(CC[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000876932784 705929570 /nfs/dbraw/zinc/92/95/70/705929570.db2.gz WLMUHMZGNFBMNV-UHFFFAOYSA-N 1 0 307.398 1.816 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000877002090 705954654 /nfs/dbraw/zinc/95/46/54/705954654.db2.gz PDCOBHVSCKSXPR-AWEZNQCLSA-N 1 0 318.377 1.675 20 5 DDBDRO CC(C)(C)N1C[C@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CC1=O ZINC000877082590 705978810 /nfs/dbraw/zinc/97/88/10/705978810.db2.gz YQBMTGDTRIFKHJ-MOENNCHZSA-N 1 0 321.381 1.484 20 5 DDBDRO CC1(CC[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)OCCO1 ZINC000877347264 706074601 /nfs/dbraw/zinc/07/46/01/706074601.db2.gz SFAHTYQOEMYNGF-UHFFFAOYSA-N 1 0 307.306 1.979 20 5 DDBDRO C[C@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)C(=O)N1CCCC1 ZINC000877497256 706123743 /nfs/dbraw/zinc/12/37/43/706123743.db2.gz LGBNYDOXJMYOLE-UNXYVOJBSA-N 1 0 307.354 1.095 20 5 DDBDRO O=[N+]([O-])c1ccccc1-c1nnc(CN2C[C@H]3C[NH2+]C[C@@H]3C2)o1 ZINC000877982287 706257151 /nfs/dbraw/zinc/25/71/51/706257151.db2.gz ODVZEJXFQBMPQY-GHMZBOCLSA-N 1 0 315.333 1.296 20 5 DDBDRO CC(C)[C@H](C[NH+](C)C)NC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000865800981 706530629 /nfs/dbraw/zinc/53/06/29/706530629.db2.gz UVJNEJBFNLBNLZ-ZDUSSCGKSA-N 1 0 311.357 1.979 20 5 DDBDRO COc1ccc(OS(=O)(=O)CCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000867179745 706916978 /nfs/dbraw/zinc/91/69/78/706916978.db2.gz PRMQOWIFCFODFI-UHFFFAOYSA-N 1 0 318.351 1.264 20 5 DDBDRO CC(=O)N1C[C@@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3F)C[C@@H]2C1 ZINC000880310321 706936847 /nfs/dbraw/zinc/93/68/47/706936847.db2.gz VLPQPWFGWPALTH-BETUJISGSA-N 1 0 307.325 1.644 20 5 DDBDRO C[C@H]1c2sccc2CC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000880377832 706956449 /nfs/dbraw/zinc/95/64/49/706956449.db2.gz GMMNFRWPBVZAQK-GXFFZTMASA-N 1 0 322.390 1.833 20 5 DDBDRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)CCC(C)(C)[N+](=O)[O-])[C@H]2C1 ZINC000832866749 706996846 /nfs/dbraw/zinc/99/68/46/706996846.db2.gz XEENBNYUPFZNPZ-QWHCGFSZSA-N 1 0 313.398 1.144 20 5 DDBDRO COC(=O)[C@]1(O)CC[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000880564952 707019658 /nfs/dbraw/zinc/01/96/58/707019658.db2.gz ALSKIPFRDOPQGH-ABAIWWIYSA-N 1 0 308.334 1.574 20 5 DDBDRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)Nc1ccc([N+](=O)[O-])cc1F)C2 ZINC000871673894 707164546 /nfs/dbraw/zinc/16/45/46/707164546.db2.gz RCLSLMMZEPQMBO-LKFCYVNXSA-N 1 0 308.313 1.807 20 5 DDBDRO CC(C)C[N@@H+]1CCO[C@H](CNc2ccnc(F)c2[N+](=O)[O-])C1 ZINC000881772862 707361488 /nfs/dbraw/zinc/36/14/88/707361488.db2.gz DSLIHNPTYBZJIG-LLVKDONJSA-N 1 0 312.345 1.898 20 5 DDBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000882486321 707657037 /nfs/dbraw/zinc/65/70/37/707657037.db2.gz QCEHBKSNMHRRRC-SNVBAGLBSA-N 1 0 321.333 1.190 20 5 DDBDRO Cc1c(C[NH2+]C[C@@H]2COC3(CCOCC3)O2)cccc1[N+](=O)[O-] ZINC000873102292 707732570 /nfs/dbraw/zinc/73/25/70/707732570.db2.gz IYYCZZXJGRTATE-CQSZACIVSA-N 1 0 322.361 1.915 20 5 DDBDRO COc1cc(F)c([N+](=O)[O-])c(NC[C@@H]2CSCC[NH2+]2)c1 ZINC000882728696 707763772 /nfs/dbraw/zinc/76/37/72/707763772.db2.gz FUANBCLAIWBXPZ-MRVPVSSYSA-N 1 0 301.343 1.859 20 5 DDBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]C[C@@H]3C[C@@H]4COC[C@@H]4O3)nc2c1 ZINC000896859574 708166446 /nfs/dbraw/zinc/16/64/46/708166446.db2.gz VLKRSWPSQNHUAV-PUYPPJJSSA-N 1 0 319.317 1.630 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)c1 ZINC000897218127 708256384 /nfs/dbraw/zinc/25/63/84/708256384.db2.gz BCLCBHKBTOAKAM-KBPBESRZSA-N 1 0 321.377 1.639 20 5 DDBDRO O=[N+]([O-])c1ncccc1CN1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000886315209 708741076 /nfs/dbraw/zinc/74/10/76/708741076.db2.gz ARXWAALZLLYUDB-OAHLLOKOSA-N 1 0 320.393 1.723 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[N@@H+](C)C[C@H]1CC(C)C ZINC000886602162 708791277 /nfs/dbraw/zinc/79/12/77/708791277.db2.gz LCVJREXQFSTCEI-CYBMUJFWSA-N 1 0 323.397 1.288 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC([NH+]3CCCC3)C2)c1 ZINC000898612775 708811553 /nfs/dbraw/zinc/81/15/53/708811553.db2.gz NDLMVYDWELVEJH-UHFFFAOYSA-N 1 0 305.334 1.524 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@@H]([NH+](C)C)C12CCC2 ZINC000898848053 708888362 /nfs/dbraw/zinc/88/83/62/708888362.db2.gz IWCPDLQWPMBZAE-UONOGXRCSA-N 1 0 318.377 1.901 20 5 DDBDRO CC1(C)CC[N@H+](CCNC(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000890075197 709736148 /nfs/dbraw/zinc/73/61/48/709736148.db2.gz CEKCEQSFQSPUTA-UHFFFAOYSA-N 1 0 305.378 1.985 20 5 DDBDRO C[N@@H+]1CCC[C@@](O)(CC(=O)N2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000900770627 709751044 /nfs/dbraw/zinc/75/10/44/709751044.db2.gz FFDVAFCRTAEAKF-MRXNPFEDSA-N 1 0 319.361 1.331 20 5 DDBDRO Cc1ccc(CNC(=O)N2CC[NH2+][C@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000892537241 710454037 /nfs/dbraw/zinc/45/40/37/710454037.db2.gz QGMSIZZBLVEYDN-NEPJUHHUSA-N 1 0 306.366 1.795 20 5 DDBDRO COc1c(O)ccc(CNCC[N@@H+]2CC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000893353719 710614391 /nfs/dbraw/zinc/61/43/91/710614391.db2.gz BPMTVAVBOSOGHR-LLVKDONJSA-N 1 0 309.366 1.740 20 5 DDBDRO COc1cc(OCC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000928442804 713198071 /nfs/dbraw/zinc/19/80/71/713198071.db2.gz CFFOFIPZLTVHGL-ZYHUDNBSSA-N 1 0 323.349 1.191 20 5 DDBDRO COc1cc([C@H](C)[NH2+][C@H]2CCC(=O)N(C)C2)cc([N+](=O)[O-])c1 ZINC000903098359 711031135 /nfs/dbraw/zinc/03/11/35/711031135.db2.gz NPAWHJAFXDKZKC-JQWIXIFHSA-N 1 0 307.350 1.875 20 5 DDBDRO COc1cc([C@H](C)[NH2+]C[C@]2(C)CCC(=O)N2)cc([N+](=O)[O-])c1 ZINC000903183440 711057508 /nfs/dbraw/zinc/05/75/08/711057508.db2.gz ONIQFVCFKANMNF-BONVTDFDSA-N 1 0 307.350 1.923 20 5 DDBDRO COc1cc([C@H](C)[NH2+]CCN2CCCOCC2)cc([N+](=O)[O-])c1 ZINC000903228941 711073633 /nfs/dbraw/zinc/07/36/33/711073633.db2.gz UDDWOPCQRVWLNZ-ZDUSSCGKSA-N 1 0 323.393 1.976 20 5 DDBDRO C[NH2+]CCN(CC(=O)Nc1c(C)cccc1[N+](=O)[O-])C(C)C ZINC000903570393 711201589 /nfs/dbraw/zinc/20/15/89/711201589.db2.gz FURPYFWQJRWFIX-UHFFFAOYSA-N 1 0 308.382 1.772 20 5 DDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@]23CC[NH2+]C3)s1 ZINC000903597236 711217980 /nfs/dbraw/zinc/21/79/80/711217980.db2.gz WDCCSHKRRHLTLI-LLVKDONJSA-N 1 0 317.392 1.173 20 5 DDBDRO CC1(C)CN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@@H]1[NH3+] ZINC000903984565 711358764 /nfs/dbraw/zinc/35/87/64/711358764.db2.gz JBMSJLJNSQXHQD-AWEZNQCLSA-N 1 0 307.350 1.535 20 5 DDBDRO O=[N+]([O-])c1ccccc1Cc1noc([C@H]2[C@@H]3CC[NH2+]C[C@@H]32)n1 ZINC000904079346 711375931 /nfs/dbraw/zinc/37/59/31/711375931.db2.gz COVWPPJBACPYMN-SUNKGSAMSA-N 1 0 300.318 1.892 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000895126064 711426767 /nfs/dbraw/zinc/42/67/67/711426767.db2.gz YUAANEZSQSZYRI-GFCCVEGCSA-N 1 0 309.370 1.066 20 5 DDBDRO C[C@H](Nc1nc2sccn2c1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCN1C ZINC000895247161 711464677 /nfs/dbraw/zinc/46/46/77/711464677.db2.gz FEOHBFKRLSFPLT-UWVGGRQHSA-N 1 0 324.410 1.350 20 5 DDBDRO C[N@@H+]1CC[C@H]1CNc1ccc([N+](=O)[O-])cc1C(=O)NC1CC1 ZINC000895767839 711600656 /nfs/dbraw/zinc/60/06/56/711600656.db2.gz SAJILWICXFUUSD-LBPRGKRZSA-N 1 0 304.350 1.603 20 5 DDBDRO Nc1ccc(NC[C@@H]2CC[N@@H+]2C2CCOCC2)c([N+](=O)[O-])c1 ZINC000896523027 711737726 /nfs/dbraw/zinc/73/77/26/711737726.db2.gz LYKGNZVNOQOPIZ-ZDUSSCGKSA-N 1 0 306.366 1.842 20 5 DDBDRO O=C(NC12CC[NH+](CC1)C2)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000913628346 713271874 /nfs/dbraw/zinc/27/18/74/713271874.db2.gz DIKZPBOODWEFHI-UHFFFAOYSA-N 1 0 300.318 1.654 20 5 DDBDRO C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1C[NH2+]CC[N+](=O)[O-] ZINC000905119845 711942236 /nfs/dbraw/zinc/94/22/36/711942236.db2.gz PCKJSVMTIDBJKK-GHMZBOCLSA-N 1 0 317.386 1.613 20 5 DDBDRO C[NH+](C)C1CC(NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000916944107 713475394 /nfs/dbraw/zinc/47/53/94/713475394.db2.gz UBPVSSWRMPRRSI-UHFFFAOYSA-N 1 0 313.379 1.107 20 5 DDBDRO O=C(CN1C[C@@H]2C[NH2+]C[C@H]2C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000917198855 713487128 /nfs/dbraw/zinc/48/71/28/713487128.db2.gz NCHBGQWJMJVWQS-UWVGGRQHSA-N 1 0 324.768 1.338 20 5 DDBDRO C[C@H]1[C@H](NC(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000917789288 713513938 /nfs/dbraw/zinc/51/39/38/713513938.db2.gz MLOUYNZUJNVMGO-SMDDNHRTSA-N 1 0 322.365 1.365 20 5 DDBDRO O=[N+]([O-])c1cnn(CN2CC[NH+](CCc3cccs3)CC2)c1 ZINC000919951098 713643041 /nfs/dbraw/zinc/64/30/41/713643041.db2.gz CZSZTPXXMALGPW-UHFFFAOYSA-N 1 0 321.406 1.671 20 5 DDBDRO O=[N+]([O-])c1ccc(C[N@@H+](C[C@@H](O)C2(O)CCC2)C2CC2)cc1 ZINC000930140858 713765777 /nfs/dbraw/zinc/76/57/77/713765777.db2.gz IQDJXXRJWNZPNY-OAHLLOKOSA-N 1 0 306.362 1.835 20 5 DDBDRO COc1ccc(NC(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000930770640 713916529 /nfs/dbraw/zinc/91/65/29/713916529.db2.gz AEPCUNMTHCXYES-PHIMTYICSA-N 1 0 320.349 1.629 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@H]([NH+](C)C)[C@H]1C ZINC000931047189 713990481 /nfs/dbraw/zinc/99/04/81/713990481.db2.gz YDAQYNDWTUICPS-DOMZBBRYSA-N 1 0 320.393 1.866 20 5 DDBDRO C[NH+](C)[C@@H]1[C@H]2CN(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C[C@H]21 ZINC000931277430 714055226 /nfs/dbraw/zinc/05/52/26/714055226.db2.gz KKQVKMGGNYSIAX-IMRBUKKESA-N 1 0 306.322 1.495 20 5 DDBDRO C[NH2+]C[C@@H]1CCCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000923282759 714296962 /nfs/dbraw/zinc/29/69/62/714296962.db2.gz QDOUDZIFZOLSPF-KBPBESRZSA-N 1 0 323.393 1.266 20 5 DDBDRO C[C@@H]1COC[C@H]1[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000932491713 714345027 /nfs/dbraw/zinc/34/50/27/714345027.db2.gz LUEUGPAFWVRCBT-NOZJJQNGSA-N 1 0 311.313 1.687 20 5 DDBDRO Cc1cc(F)ccc1[C@@H](C)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000932554677 714359044 /nfs/dbraw/zinc/35/90/44/714359044.db2.gz APTWPXOJXILUSC-BXUZGUMPSA-N 1 0 322.340 1.951 20 5 DDBDRO O=C1NC[C@@H](O)CC12CC[NH+](Cc1cccc([N+](=O)[O-])c1)CC2 ZINC000932840222 714424029 /nfs/dbraw/zinc/42/40/29/714424029.db2.gz WIAKXVIOJIMOTP-AWEZNQCLSA-N 1 0 319.361 1.058 20 5 DDBDRO C[NH+]1CCC(OCC(=O)OCc2cccnc2[N+](=O)[O-])CC1 ZINC000923786781 714470499 /nfs/dbraw/zinc/47/04/99/714470499.db2.gz YAKCEAZPMPTQDB-UHFFFAOYSA-N 1 0 309.322 1.144 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC2(CC1)C[C@@H](O)CCO2 ZINC000933054641 714507923 /nfs/dbraw/zinc/50/79/23/714507923.db2.gz HNYWFZZQJSKDSX-ZDUSSCGKSA-N 1 0 324.381 1.106 20 5 DDBDRO CN1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC[N@H+](C)CC1 ZINC000933992695 714717067 /nfs/dbraw/zinc/71/70/67/714717067.db2.gz PGZDEQMFAWSMLZ-UHFFFAOYSA-N 1 0 310.373 1.413 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CN1CCN(C)CC[N@H+](C)CC1 ZINC000933993865 714717691 /nfs/dbraw/zinc/71/76/91/714717691.db2.gz QPUXWWQLIOLILV-UHFFFAOYSA-N 1 0 322.409 1.283 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H]2CCOC23CCOCC3)cc1 ZINC000924991314 714718769 /nfs/dbraw/zinc/71/87/69/714718769.db2.gz DBZKKCYJNKYQSS-CABCVRRESA-N 1 0 322.361 1.556 20 5 DDBDRO O=[N+]([O-])c1ccc(CN2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)cc1F ZINC000934265792 714780173 /nfs/dbraw/zinc/78/01/73/714780173.db2.gz NPMPFAOUQJSPQG-JKSUJKDBSA-N 1 0 323.368 1.765 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@H+](C)[C@H]1C ZINC000925309438 714803340 /nfs/dbraw/zinc/80/33/40/714803340.db2.gz ZYLBKTMLDMCLLC-ONGXEEELSA-N 1 0 308.338 1.818 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000935626603 715104346 /nfs/dbraw/zinc/10/43/46/715104346.db2.gz HAIZNGUDDLTLKU-UHFFFAOYSA-N 1 0 323.397 1.338 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)nc1Cl ZINC001164664945 719385505 /nfs/dbraw/zinc/38/55/05/719385505.db2.gz DAHCHOGOLPNYCK-QWRGUYRKSA-N 1 0 312.757 1.471 20 5 DDBDRO Cc1cnc(N2CC[C@@H]3[C@@H]2CCN3CC[NH+](C)C)c([N+](=O)[O-])c1 ZINC001164922020 721849448 /nfs/dbraw/zinc/84/94/48/721849448.db2.gz PQLPXMCEHCNYNH-KGLIPLIRSA-N 1 0 319.409 1.513 20 5 DDBDRO O=C(N[C@@H]1[C@H]2C[N@H+](CCc3cccs3)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025778090 736849557 /nfs/dbraw/zinc/84/95/57/736849557.db2.gz RCPUIKOWHWIGCU-RGDJUOJXSA-N 1 0 321.402 1.002 20 5 DDBDRO Cc1ncoc1C(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001125317670 732715299 /nfs/dbraw/zinc/71/52/99/732715299.db2.gz TUJYSLTZLBXSKR-UHFFFAOYSA-N 1 0 304.306 1.411 20 5 DDBDRO N=c1cc(C[NH3+])ccn1-c1cc([N+](=O)[O-])cc(Br)n1 ZINC001167690393 736021871 /nfs/dbraw/zinc/02/18/71/736021871.db2.gz PXCDKZVBXXPCEM-UHFFFAOYSA-N 1 0 324.138 1.481 20 5 DDBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)c1cocn1 ZINC001020025118 736980415 /nfs/dbraw/zinc/98/04/15/736980415.db2.gz BAQVRGFTFTVRLT-HAQNSBGRSA-N 1 0 316.317 1.633 20 5 DDBDRO Cc1cc(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])ns1 ZINC001126371828 739549345 /nfs/dbraw/zinc/54/93/45/739549345.db2.gz AAKCZWJYLGSMJL-UHFFFAOYSA-N 1 0 320.374 1.879 20 5 DDBDRO C[NH2+]C[C@@H](O)CN(C)C(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC001122180762 745223658 /nfs/dbraw/zinc/22/36/58/745223658.db2.gz FHYCVDZIHBZOLG-GFCCVEGCSA-N 1 0 309.366 1.371 20 5 DDBDRO CC[C@@H]([NH2+]C[C@H](O)C[C@]1(O)CCOC1)c1cccc([N+](=O)[O-])c1 ZINC001192814706 745902690 /nfs/dbraw/zinc/90/26/90/745902690.db2.gz YBNVOWIYDOUCGU-BZUAXINKSA-N 1 0 324.377 1.538 20 5 DDBDRO COc1c(F)cc(NC(=[NH2+])N2CCN(C)CC2)cc1[N+](=O)[O-] ZINC001168736457 748463972 /nfs/dbraw/zinc/46/39/72/748463972.db2.gz HHQZNERXJLHIQN-UHFFFAOYSA-N 1 0 311.317 1.337 20 5 DDBDRO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC[NH+](Cc2ccccn2)CC1 ZINC001005379857 749946826 /nfs/dbraw/zinc/94/68/26/749946826.db2.gz YCNRMCHIGXBXCS-HUUCEWRRSA-N 1 0 318.377 1.170 20 5 DDBDRO C[NH+](C)CCC(=O)NC/C=C\CNc1ccc([N+](=O)[O-])cc1F ZINC001107489989 750045473 /nfs/dbraw/zinc/04/54/73/750045473.db2.gz OTUPCBUYVDYKEY-ARJAWSKDSA-N 1 0 324.356 1.770 20 5 DDBDRO CC[NH+](CC)CC(=O)NCCN(C)c1nccc(C)c1[N+](=O)[O-] ZINC001100125766 762021646 /nfs/dbraw/zinc/02/16/46/762021646.db2.gz LYNYFXRJCKVCHY-UHFFFAOYSA-N 1 0 323.397 1.192 20 5 DDBDRO COc1ncc([N+](=O)[O-])c(N2C[C@@H](CC[NH3+])c3ccccc32)n1 ZINC001168543791 750535823 /nfs/dbraw/zinc/53/58/23/750535823.db2.gz DYMZLYLGNWNSCA-SNVBAGLBSA-N 1 0 315.333 1.978 20 5 DDBDRO C[NH+](C)[C@H]1CCCC[C@@H]1Nc1ccc([N+](=O)[O-])c(C(N)=O)n1 ZINC001168593503 751236195 /nfs/dbraw/zinc/23/61/95/751236195.db2.gz PGQPAEZVOJKNEG-UWVGGRQHSA-N 1 0 307.354 1.373 20 5 DDBDRO CC(C)(C)OC(=O)NCCC[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168963163 762157465 /nfs/dbraw/zinc/15/74/65/762157465.db2.gz OFDALXJYLBWOGC-RYUDHWBXSA-N 1 0 301.387 1.936 20 5 DDBDRO O=C(C[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)N1CCc2ccccc21 ZINC001168967685 762158506 /nfs/dbraw/zinc/15/85/06/762158506.db2.gz SLKSJYKHSJPRRD-GXTWGEPZSA-N 1 0 303.362 1.611 20 5 DDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2ccc(-n3ccnn3)cc2)C1 ZINC001169001509 762172991 /nfs/dbraw/zinc/17/29/91/762172991.db2.gz GQHXOVDSSKEYTJ-UONOGXRCSA-N 1 0 301.350 1.802 20 5 DDBDRO CN(C)C(=O)c1ccc(CC[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1 ZINC001169004003 762173779 /nfs/dbraw/zinc/17/37/79/762173779.db2.gz OWZWDYNKQGFNRH-ZBFHGGJFSA-N 1 0 319.405 1.966 20 5 DDBDRO CCOC(=O)[C@@H]1CC[C@H](O)[C@@H]([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169006502 762174574 /nfs/dbraw/zinc/17/45/74/762174574.db2.gz YFACHPDIDSYGDL-NDKCEZKHSA-N 1 0 314.382 1.114 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCC(Oc3ncccn3)CC2)C1 ZINC001169035293 762190868 /nfs/dbraw/zinc/19/08/68/762190868.db2.gz KDMUUJNZCPJGRC-CHWSQXEVSA-N 1 0 306.366 1.765 20 5 DDBDRO COc1cc(N2CC[NH+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)ncn1 ZINC001169041028 762194588 /nfs/dbraw/zinc/19/45/88/762194588.db2.gz ANSXZRGHAKJULM-QWHCGFSZSA-N 1 0 321.381 1.053 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2C[C@H]3CN(c4ncccn4)C[C@H]3C2)C1 ZINC001169018401 762199406 /nfs/dbraw/zinc/19/94/06/762199406.db2.gz BDAIJUPTLOVRLH-KBXIAJHMSA-N 1 0 317.393 1.290 20 5 DDBDRO COC[C@@H]1C[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)Cc2cn(C)nc21 ZINC001169018749 762199507 /nfs/dbraw/zinc/19/95/07/762199507.db2.gz DIQCMSLLZLLXRR-KWCYVHTRSA-N 1 0 308.382 1.411 20 5 DDBDRO Cc1cc(N2CC[NH+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)ncn1 ZINC001169054955 762210267 /nfs/dbraw/zinc/21/02/67/762210267.db2.gz OMASTKBHHPMCCO-ZIAGYGMSSA-N 1 0 305.382 1.352 20 5 DDBDRO Cc1ccnc(N2CC[NH+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)n1 ZINC001169057114 762211109 /nfs/dbraw/zinc/21/11/09/762211109.db2.gz UYMHUMFZJLGLEG-KBPBESRZSA-N 1 0 305.382 1.352 20 5 DDBDRO O=C(NCc1ccc2c(c1)C[N@@H+](CCCF)C2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001054264356 759370539 /nfs/dbraw/zinc/37/05/39/759370539.db2.gz BBQCVYRSOOPDTG-HUUCEWRRSA-N 1 0 321.352 1.643 20 5 DDBDRO CCOC(=O)c1c(C[NH3+])ncn1-c1ncc([N+](=O)[O-])cc1C ZINC001155076447 760527909 /nfs/dbraw/zinc/52/79/09/760527909.db2.gz FXMDCRFNTDDMEN-UHFFFAOYSA-N 1 0 305.294 1.119 20 5 DDBDRO O=C(NCC1CC[NH+](Cc2ccccn2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001001393533 762820361 /nfs/dbraw/zinc/82/03/61/762820361.db2.gz DEFJKBFZSZBWCH-HUUCEWRRSA-N 1 0 318.377 1.075 20 5 DDBDRO C[C@H](Nc1cc2cccnc2c([N+](=O)[O-])c1)[C@H]1C[NH2+]CCO1 ZINC001170567283 768176221 /nfs/dbraw/zinc/17/62/21/768176221.db2.gz CQKWVISSWFGZTE-IINYFYTJSA-N 1 0 302.334 1.932 20 5 DDBDRO [NH3+]Cc1ccc2nnn(-c3ccc4ncc([N+](=O)[O-])n4c3)c2c1 ZINC001170023816 764102743 /nfs/dbraw/zinc/10/27/43/764102743.db2.gz NBIBEXBMFFFQLZ-UHFFFAOYSA-N 1 0 309.289 1.435 20 5 DDBDRO CN(CC[NH3+])CCNc1ncc(F)c2cc([N+](=O)[O-])ccc21 ZINC001170498374 767564662 /nfs/dbraw/zinc/56/46/62/767564662.db2.gz KUZOKRDUWCJPCD-UHFFFAOYSA-N 1 0 307.329 1.585 20 5 DDBDRO CC(F)(F)CC(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001133450708 769848148 /nfs/dbraw/zinc/84/81/48/769848148.db2.gz JPNQLLFZBWCFMM-UHFFFAOYSA-N 1 0 301.293 1.846 20 5 DDBDRO Cc1n[nH]c(C)c1C(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001135421385 771511547 /nfs/dbraw/zinc/51/15/47/771511547.db2.gz YXUCZWXLAMLGAQ-UHFFFAOYSA-N 1 0 317.349 1.454 20 5 DDBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N[C@H](C)[C@@H]2C[NH2+]CCO2)n1 ZINC001159496534 771605348 /nfs/dbraw/zinc/60/53/48/771605348.db2.gz JPGKROVBPJXJIF-SVRRBLITSA-N 1 0 301.734 1.135 20 5 DDBDRO O=C([C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)N1CC[N@@H+]2CC[C@H]1C2 ZINC000821020750 771955992 /nfs/dbraw/zinc/95/59/92/771955992.db2.gz JCQDTDAMNFOQLS-ZNMIVQPWSA-N 1 0 301.346 1.615 20 5 DDBDRO Cc1c[n+]([O-])c(-n2c(CC[NH3+])cc3ccccc32)cc1[N+](=O)[O-] ZINC001171301077 773087542 /nfs/dbraw/zinc/08/75/42/773087542.db2.gz HXVJIAXAJGVQHH-UHFFFAOYSA-N 1 0 312.329 1.982 20 5 DDBDRO Cc1ccc(NCCNC(=O)CCC[NH+](C)C)c([N+](=O)[O-])c1 ZINC001094093904 775427308 /nfs/dbraw/zinc/42/73/08/775427308.db2.gz FFCRKMYNQFLVNS-UHFFFAOYSA-N 1 0 308.382 1.773 20 5 DDBDRO CN(CCNC(=O)C[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC001100115435 775700157 /nfs/dbraw/zinc/70/01/57/775700157.db2.gz PEASLFPBZRFSJZ-UHFFFAOYSA-N 1 0 306.366 1.243 20 5 DDBDRO C[NH+]1CCC(C(=O)NCCCNc2ccccc2[N+](=O)[O-])CC1 ZINC001094471759 775926530 /nfs/dbraw/zinc/92/65/30/775926530.db2.gz OKRJLVFWATYPQY-UHFFFAOYSA-N 1 0 320.393 1.855 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]CCN1CC[C@@H](O)C1)CC2 ZINC001172910499 776941972 /nfs/dbraw/zinc/94/19/72/776941972.db2.gz BXPSKTDGJVNJII-NVXWUHKLSA-N 1 0 319.405 1.498 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CCOC(C)=O)c1F ZINC001173186796 777035603 /nfs/dbraw/zinc/03/56/03/777035603.db2.gz UTHAMSRYNLRUDS-VIFPVBQESA-N 1 0 314.313 1.826 20 5 DDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1C[C@@H](S(C)(=O)=O)C1 ZINC001173218948 777050703 /nfs/dbraw/zinc/05/07/03/777050703.db2.gz ULACPDBZSDKYTO-QKCSRTOESA-N 1 0 312.391 1.691 20 5 DDBDRO CC(=O)N1C[C@@H]2C[C@]2([NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173210688 777067112 /nfs/dbraw/zinc/06/71/12/777067112.db2.gz MLZGPPIQINOXFH-PJODQICGSA-N 1 0 303.362 1.736 20 5 DDBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@@H]2C[C@@H](O)[C@@H](O)C2)o1 ZINC001179603320 779425362 /nfs/dbraw/zinc/42/53/62/779425362.db2.gz WAGNNMINGZVINL-LYILDCAHSA-N 1 0 318.329 1.829 20 5 DDBDRO O=C(Nc1ccncc1[N+](=O)[O-])N1CCCC2(CC[NH2+]CC2)C1 ZINC001118015842 780990195 /nfs/dbraw/zinc/99/01/95/780990195.db2.gz NIKBXYBRSSCCLW-UHFFFAOYSA-N 1 0 319.365 1.409 20 5 DDBDRO O=C(N[C@H]1CCC[NH2+]CC1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001118032312 780996845 /nfs/dbraw/zinc/99/68/45/780996845.db2.gz LHGTWKWKSYCKGO-ZDUSSCGKSA-N 1 0 304.350 1.762 20 5 DDBDRO C[NH2+][C@@H](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC001118237648 781071889 /nfs/dbraw/zinc/07/18/89/781071889.db2.gz GMVGRXSXMZHZEY-JTQLQIEISA-N 1 0 301.368 1.180 20 5 DDBDRO CC[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1ccc(CF)cc1 ZINC001267241364 837589517 /nfs/dbraw/zinc/58/95/17/837589517.db2.gz UNYGOLGKQDFNRB-HUUCEWRRSA-N 1 0 323.368 1.759 20 5 DDBDRO C[N@H+](CC1CCC1)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001029964567 844358043 /nfs/dbraw/zinc/35/80/43/844358043.db2.gz OVCDPYXXFNMLTQ-HUUCEWRRSA-N 1 0 309.410 1.622 20 5 DDBDRO O=C(NC/C=C\C[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cn[nH]c1 ZINC001268515215 840349620 /nfs/dbraw/zinc/34/96/20/840349620.db2.gz SLVNYZVLZZXCJG-UPHRSURJSA-N 1 0 315.333 1.394 20 5 DDBDRO O=C(NC/C=C/CNCc1csc([N+](=O)[O-])c1)c1cocn1 ZINC001268523189 840380793 /nfs/dbraw/zinc/38/07/93/840380793.db2.gz PTUGCWPMPFSFQY-OWOJBTEDSA-N 1 0 322.346 1.720 20 5 DDBDRO COc1ccc(F)c(OC(=O)C[C@@H](O)C[N+](C)(C)C)c1F ZINC001227850014 843818549 /nfs/dbraw/zinc/81/85/49/843818549.db2.gz ARDLAENQIYHRTO-SECBINFHSA-N 1 0 304.313 1.336 20 5 DDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N(CCOC)CC[NH+](C)C ZINC001326652817 861511660 /nfs/dbraw/zinc/51/16/60/861511660.db2.gz FNDVDVCDLMDNIX-UHFFFAOYSA-N 1 0 324.381 1.287 20 5 DDBDRO C[NH+](C)C[C@H]1COCCN1c1cc(Cl)cc([N+](=O)[O-])n1 ZINC001154966528 861606592 /nfs/dbraw/zinc/60/65/92/861606592.db2.gz BGSRBBLPRXQMFS-JTQLQIEISA-N 1 0 300.746 1.410 20 5 DDBDRO Cc1nc(Cl)c([N+](=O)[O-])c(-n2cncc2C2CC[NH2+]CC2)n1 ZINC001155053269 861683437 /nfs/dbraw/zinc/68/34/37/861683437.db2.gz LPTOBKRQRWOFBP-UHFFFAOYSA-N 1 0 322.756 1.999 20 5 DDBDRO O=[N+]([O-])c1cc(Cl)cc(NCc2nnn3c2C[NH2+]CCC3)n1 ZINC001155394480 862036048 /nfs/dbraw/zinc/03/60/48/862036048.db2.gz WRQFWPYAIOVNMI-UHFFFAOYSA-N 1 0 323.744 1.340 20 5 DDBDRO O=[N+]([O-])c1cc(Cl)nc(NCC[C@@H]2CCOC23C[NH2+]C3)c1 ZINC001155469303 862120494 /nfs/dbraw/zinc/12/04/94/862120494.db2.gz GYEPOKBSXDVYDI-SECBINFHSA-N 1 0 312.757 1.824 20 5 DDBDRO COc1ncnc2c1CC[N@@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169021294 850518101 /nfs/dbraw/zinc/51/81/01/850518101.db2.gz KLLPFFRQTUERTH-NEPJUHHUSA-N 1 0 306.366 1.331 20 5 DDBDRO C[NH2+][C@H](C)CCNC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001327485079 862206724 /nfs/dbraw/zinc/20/67/24/862206724.db2.gz CXPPOSQXZBGEDK-LLVKDONJSA-N 1 0 322.365 1.365 20 5 DDBDRO O=C(NC[C@H]1C[NH2+]CCC1(F)F)c1csc([N+](=O)[O-])c1 ZINC000716998831 851452007 /nfs/dbraw/zinc/45/20/07/851452007.db2.gz HFTACCVJTPNHGE-MRVPVSSYSA-N 1 0 305.306 1.631 20 5 DDBDRO O=[N+]([O-])c1cc(N(c2ncccn2)C2C[NH2+]C2)nc2[nH]ccc21 ZINC001155871517 862524438 /nfs/dbraw/zinc/52/44/38/862524438.db2.gz CSSILANVFLDFGX-UHFFFAOYSA-N 1 0 311.305 1.371 20 5 DDBDRO Cc1cc([N+](=O)[O-])cnc1NCC1([NH+](C)C)CCN(C)CC1 ZINC001156176087 862777773 /nfs/dbraw/zinc/77/77/73/862777773.db2.gz JJHLUCRLVYIWGH-UHFFFAOYSA-N 1 0 307.398 1.736 20 5 DDBDRO O=C(NCC1=CC[NH2+]CC1)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001121932319 858638550 /nfs/dbraw/zinc/63/85/50/858638550.db2.gz GZZLVOBUGVTWSI-HUUCEWRRSA-N 1 0 301.346 1.734 20 5 DDBDRO COc1ccc(CC(=O)N2CCC[C@@]23CC[NH2+]C3)cc1[N+](=O)[O-] ZINC001122412607 858797585 /nfs/dbraw/zinc/79/75/85/858797585.db2.gz VEBZGHWUPNTAFS-INIZCTEOSA-N 1 0 319.361 1.500 20 5 DDBDRO O=C(NCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1ccccn1 ZINC001122578885 858896950 /nfs/dbraw/zinc/89/69/50/858896950.db2.gz GFGSZXZDEURKNB-UHFFFAOYSA-N 1 0 300.318 1.509 20 5 DDBDRO CC(C)Cn1c(C[N+](=O)[O-])nnc1N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC001122733056 858951207 /nfs/dbraw/zinc/95/12/07/858951207.db2.gz WJLPDSCDCIPOKJ-STQMWFEESA-N 1 0 322.413 1.241 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)OC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC001123344660 859185748 /nfs/dbraw/zinc/18/57/48/859185748.db2.gz BXHNBHYSCMIUTG-LBPRGKRZSA-N 1 0 323.349 1.343 20 5 DDBDRO Cn1ccnc1CCC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC001123737163 859386051 /nfs/dbraw/zinc/38/60/51/859386051.db2.gz QLFMVCIKARMANG-UHFFFAOYSA-N 1 0 302.334 1.620 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@@H]1C[N@H+]2CCN1C[C@@H]2C ZINC001123879896 859452169 /nfs/dbraw/zinc/45/21/69/859452169.db2.gz JVSVCNQCEQGZSZ-FZMZJTMJSA-N 1 0 318.377 1.538 20 5 DDBDRO C[C@H](NC(=O)[C@@H]1C[N@@H+]2CCN1C[C@@H]2C)c1ccccc1[N+](=O)[O-] ZINC001123975894 859507026 /nfs/dbraw/zinc/50/70/26/859507026.db2.gz GUSQVLAMRAVGBN-HUBLWGQQSA-N 1 0 318.377 1.160 20 5 DDBDRO CC1(C)CN(c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)CC(C)(C)O1 ZINC001156464685 863071139 /nfs/dbraw/zinc/07/11/39/863071139.db2.gz SNPAWIDICNMIRH-UHFFFAOYSA-N 1 0 321.381 1.465 20 5 DDBDRO COC(=O)[C@@H](CCC[NH3+])Nc1ncc([N+](=O)[O-])c2ccccc12 ZINC001157116439 863592949 /nfs/dbraw/zinc/59/29/49/863592949.db2.gz RQDWQTBSCUCMLK-GFCCVEGCSA-N 1 0 318.333 1.835 20 5 DDBDRO C[N@@H+]1CCC[C@@H]2CN(c3ncc([N+](=O)[O-])cc3[N+](=O)[O-])C[C@@H]21 ZINC001157266669 863695111 /nfs/dbraw/zinc/69/51/11/863695111.db2.gz VXJIZHOIWLFAHZ-SKDRFNHKSA-N 1 0 307.310 1.428 20 5 DDBDRO COC(=O)c1ccnc(N2C[C@H]3CCC[N@H+](C)[C@H]3C2)c1[N+](=O)[O-] ZINC001157265912 863695591 /nfs/dbraw/zinc/69/55/91/863695591.db2.gz LIBVLZJHMNBHNH-PWSUYJOCSA-N 1 0 320.349 1.307 20 5 DDBDRO Cc1nc(Cl)nc(-n2cc3c(n2)CC[C@H]([NH3+])C3)c1[N+](=O)[O-] ZINC001157978961 864325422 /nfs/dbraw/zinc/32/54/22/864325422.db2.gz ABGFCYOMOCWUDU-QMMMGPOBSA-N 1 0 308.729 1.348 20 5 DDBDRO CCOC(=O)C1(Nc2ccc([N+](=O)[O-])c(N)n2)CC[NH+](C)CC1 ZINC001158572565 864740630 /nfs/dbraw/zinc/74/06/30/864740630.db2.gz OSNZDCKSRIFMCR-UHFFFAOYSA-N 1 0 323.353 1.011 20 5 DDBDRO COC(=O)[C@@]12CC[NH2+][C@H]1CN(c1ncc([N+](=O)[O-])cc1C)CC2 ZINC001158634465 864772704 /nfs/dbraw/zinc/77/27/04/864772704.db2.gz CAZMYQRSLJHZRE-SWLSCSKDSA-N 1 0 320.349 1.030 20 5 DDBDRO COC(=O)[C@@]12CC[NH2+][C@H]1CN(c1ncc(C)cc1[N+](=O)[O-])CC2 ZINC001158636724 864774437 /nfs/dbraw/zinc/77/44/37/864774437.db2.gz MKZAVBREDQSMSM-SWLSCSKDSA-N 1 0 320.349 1.030 20 5 DDBDRO COc1cc2ncnc(N3CC[NH2+]C4(CC4)C3)c2cc1[N+](=O)[O-] ZINC001158936805 864984888 /nfs/dbraw/zinc/98/48/88/864984888.db2.gz QREPEIOZJSEYGS-UHFFFAOYSA-N 1 0 315.333 1.489 20 5 DDBDRO O=[N+]([O-])c1ccc(C(F)(F)NC[C@H]2COCC[NH2+]2)nc1Cl ZINC001159042757 865066777 /nfs/dbraw/zinc/06/67/77/865066777.db2.gz JUCCAXFHVSZIFN-ZETCQYMHSA-N 1 0 322.699 1.271 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC001331463343 865100704 /nfs/dbraw/zinc/10/07/04/865100704.db2.gz MALHFCHWZIBHPX-SNVBAGLBSA-N 1 0 313.304 1.878 20 5 DDBDRO [NH3+]CCOCCOCCNc1nccc(Cl)c1[N+](=O)[O-] ZINC001159443366 865298551 /nfs/dbraw/zinc/29/85/51/865298551.db2.gz QCLKIJNAIAPOBY-UHFFFAOYSA-N 1 0 304.734 1.047 20 5 DDBDRO C[C@@H](Nc1cnc2ccc([N+](=O)[O-])cc2n1)[C@H]1C[NH2+]CCO1 ZINC001159497451 865349496 /nfs/dbraw/zinc/34/94/96/865349496.db2.gz OAUOGJYFEDVDLK-NOZJJQNGSA-N 1 0 303.322 1.327 20 5 DDBDRO Cc1ccnc(NC2CCN([C@H]3CC[NH2+]C3)CC2)c1[N+](=O)[O-] ZINC001161464667 866684997 /nfs/dbraw/zinc/68/49/97/866684997.db2.gz NOPUERGXWANNDJ-ZDUSSCGKSA-N 1 0 305.382 1.536 20 5 DDBDRO Cc1ccnc(NC2CCN([C@@H]3CC[NH2+]C3)CC2)c1[N+](=O)[O-] ZINC001161464666 866685863 /nfs/dbraw/zinc/68/58/63/866685863.db2.gz NOPUERGXWANNDJ-CYBMUJFWSA-N 1 0 305.382 1.536 20 5 DDBDRO CC1(C)C[NH2+]C[C@H](CNc2nc(Cl)ncc2[N+](=O)[O-])O1 ZINC001161951143 867136603 /nfs/dbraw/zinc/13/66/03/867136603.db2.gz ZTUUPXBMZZNGOC-SSDOTTSWSA-N 1 0 301.734 1.217 20 5 DDBDRO COCCC1([NH3+])CCN(c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC001162041574 867212435 /nfs/dbraw/zinc/21/24/35/867212435.db2.gz MODHWMQLJHKKIG-UHFFFAOYSA-N 1 0 314.773 1.977 20 5 DDBDRO CC(C)(O)CC(=O)NC/C=C/C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001321039613 867246642 /nfs/dbraw/zinc/24/66/42/867246642.db2.gz RTHVHRUUEUMERQ-AATRIKPKSA-N 1 0 321.377 1.518 20 5 DDBDRO CCOC1(OCC)CC[NH2+]C[C@@H]1Nc1ncccc1[N+](=O)[O-] ZINC001162729118 867778691 /nfs/dbraw/zinc/77/86/91/867778691.db2.gz LEVKYBGMIQJUAN-LBPRGKRZSA-N 1 0 310.354 1.533 20 5 DDBDRO CC[N@@H+]1CCC[C@H](CNC(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC001325113609 867783189 /nfs/dbraw/zinc/78/31/89/867783189.db2.gz MEQKXEBFEBUHKH-LLVKDONJSA-N 1 0 307.354 1.265 20 5 DDBDRO O=[N+]([O-])c1nccnc1NCC[C@H]1C[NH2+]Cc2cccn2C1 ZINC001163050051 868037971 /nfs/dbraw/zinc/03/79/71/868037971.db2.gz OGRUJDMSDKVBCN-NSHDSACASA-N 1 0 302.338 1.408 20 5 DDBDRO O=[N+]([O-])c1cccc2c1ccnc2NC[C@@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001163094808 868086320 /nfs/dbraw/zinc/08/63/20/868086320.db2.gz SCWGOFHZCFCJNO-WDBKCZKBSA-N 1 0 314.345 1.789 20 5 DDBDRO O=[N+]([O-])c1ccc2nc(NC[C@]34C[NH2+]C[C@H]3COC4)ccc2c1 ZINC001163147741 868159467 /nfs/dbraw/zinc/15/94/67/868159467.db2.gz JVHJJTQLVILCHA-LRDDRELGSA-N 1 0 314.345 1.791 20 5 DDBDRO O=C1C[C@@H]2[NH2+]CC[C@]2(Nc2cc3ccccc3c([N+](=O)[O-])c2)N1 ZINC001163255262 868265533 /nfs/dbraw/zinc/26/55/33/868265533.db2.gz UVCCQEZEILCMEA-HOCLYGCPSA-N 1 0 312.329 1.738 20 5 DDBDRO COC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001322924377 868466009 /nfs/dbraw/zinc/46/60/09/868466009.db2.gz VJABMKNRGIAASX-GHMZBOCLSA-N 1 0 318.333 1.902 20 5 DDBDRO C[C@@H](NC(=O)N[C@@H]1C[NH2+]CC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC001335677085 868473379 /nfs/dbraw/zinc/47/33/79/868473379.db2.gz HOINOKLADVFEFF-ZWNOBZJWSA-N 1 0 306.366 1.953 20 5 DDBDRO CN(C)[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC001336019372 868683451 /nfs/dbraw/zinc/68/34/51/868683451.db2.gz PFKOOCARNJTFNR-NUEKZKHPSA-N 1 0 323.393 1.407 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1COC[C@@H]1C1CC1 ZINC001336067223 868711828 /nfs/dbraw/zinc/71/18/28/868711828.db2.gz SAZWLKJOXMEKBU-MGPQQGTHSA-N 1 0 322.361 1.349 20 5 DDBDRO Cc1nc(N2CC[C@@H]([NH3+])C2)c([N+](=O)[O-])c(C)c1Br ZINC001164286796 869087683 /nfs/dbraw/zinc/08/76/83/869087683.db2.gz YJVADYVKXNWWBU-MRVPVSSYSA-N 1 0 315.171 1.907 20 5 DDBDRO C[N@@H+]1CCN(Cn2ncc3cc([N+](=O)[O-])ccc32)CC1(C)C ZINC001337168675 869359597 /nfs/dbraw/zinc/35/95/97/869359597.db2.gz AZVVQUWDEVPYLJ-UHFFFAOYSA-N 1 0 303.366 1.928 20 5 DDBDRO [NH3+]C[C@@H]1CN(C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)CCO1 ZINC001165121579 869390041 /nfs/dbraw/zinc/39/00/41/869390041.db2.gz ONWJAQKFISVUPR-MRVPVSSYSA-N 1 0 322.699 1.352 20 5 DDBDRO C[N@H+](C1CN(c2cc([N+](=O)[O-])c3cc[nH]c3n2)C1)[C@@H]1CCOC1 ZINC001165205512 869429341 /nfs/dbraw/zinc/42/93/41/869429341.db2.gz LILPKJVGWRYNDC-SNVBAGLBSA-N 1 0 317.349 1.380 20 5 DDBDRO O=[N+]([O-])c1c(Cl)nc(Cl)nc1-n1ncc2c1CC[NH2+]C2 ZINC001165218999 869442407 /nfs/dbraw/zinc/44/24/07/869442407.db2.gz UKLJELIEEZHCNF-UHFFFAOYSA-N 1 0 315.120 1.523 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N1CCC2(CC([NH3+])C2)CC1 ZINC001165243522 869459887 /nfs/dbraw/zinc/45/98/87/869459887.db2.gz MASGVRJYDMQPMJ-UHFFFAOYSA-N 1 0 320.349 1.484 20 5 DDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H]1CCCC[N@@H+]1C ZINC001338020101 869748606 /nfs/dbraw/zinc/74/86/06/869748606.db2.gz BARXBUBEQMJWOE-LBPRGKRZSA-N 1 0 306.366 1.851 20 5 DDBDRO COc1ccc(CNC(=O)[C@@H]2[NH2+]CC23CCCC3)cc1[N+](=O)[O-] ZINC001339892787 870765346 /nfs/dbraw/zinc/76/53/46/870765346.db2.gz JLEJTEVIGDLUML-AWEZNQCLSA-N 1 0 319.361 1.752 20 5 DDBDRO CN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccccn1 ZINC001317560762 871077102 /nfs/dbraw/zinc/07/71/02/871077102.db2.gz JEFBKGYIHMCLJZ-UHFFFAOYSA-N 1 0 314.345 1.852 20 5 DDBDRO C[C@H]([NH3+])CONC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC001340589937 871213416 /nfs/dbraw/zinc/21/34/16/871213416.db2.gz SRDJZHRVAXAWHJ-JTQLQIEISA-N 1 0 308.338 1.204 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[NH+]2CCC1CC2 ZINC001304524010 871219392 /nfs/dbraw/zinc/21/93/92/871219392.db2.gz FHSBTYYOQMKLRE-CYBMUJFWSA-N 1 0 303.362 1.975 20 5 DDBDRO C[N@H+](CCCCC(F)(F)F)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001317448415 871337011 /nfs/dbraw/zinc/33/70/11/871337011.db2.gz TWORLBOXUFEOIC-NXEZZACHSA-N 1 0 311.304 1.432 20 5 DDBDRO CNC(=O)C[C@@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC001308770010 871529206 /nfs/dbraw/zinc/52/92/06/871529206.db2.gz PKOVTZMQWIXQPM-LLVKDONJSA-N 1 0 321.381 1.073 20 5 DDBDRO O=C(CNc1ccccc1[N+](=O)[O-])NC[C@@H]1CCCCC[NH2+]1 ZINC001341560783 871714665 /nfs/dbraw/zinc/71/46/65/871714665.db2.gz VFFUZJNJJBJVFS-LBPRGKRZSA-N 1 0 306.366 1.655 20 5 DDBDRO COc1cc(C(=O)N2CC[C@@H](C[NH3+])[C@H](C)C2)cc([N+](=O)[O-])c1C ZINC001342642637 872312782 /nfs/dbraw/zinc/31/27/82/872312782.db2.gz FBDCWFJVIYINBJ-PWSUYJOCSA-N 1 0 321.377 1.969 20 5 DDBDRO CC(C)[NH2+]C1CCN(c2nnc(C[N+](=O)[O-])n2CC2CC2)CC1 ZINC001345773169 873511332 /nfs/dbraw/zinc/51/13/32/873511332.db2.gz DEORKQSAAXFYEU-UHFFFAOYSA-N 1 0 322.413 1.432 20 5 DDBDRO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3cc(F)ccc3[N+](=O)[O-])[C@@H]2C1 ZINC001347539437 874178903 /nfs/dbraw/zinc/17/89/03/874178903.db2.gz KYJTWLVQHSFMKV-BIMULSAOSA-N 1 0 307.325 1.804 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1nc2cc(Cl)ccc2[nH]1 ZINC001227262260 882942211 /nfs/dbraw/zinc/94/22/11/882942211.db2.gz LGJUOXGUSSXHNH-SNVBAGLBSA-N 1 0 312.777 1.579 20 5 DDBDRO COc1ncc(CC[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)cn1 ZINC001353245098 877209384 /nfs/dbraw/zinc/20/93/84/877209384.db2.gz DGBQXAMAFNUVSR-CQSZACIVSA-N 1 0 318.333 1.259 20 5 DDBDRO [NH3+][C@H](Cc1nnc([C@@H]2CCOC2)o1)c1cccc([N+](=O)[O-])c1 ZINC001217734643 877294192 /nfs/dbraw/zinc/29/41/92/877294192.db2.gz YKYPNHBNWPXLCW-ZYHUDNBSSA-N 1 0 304.306 1.724 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1C[C@H](C)OC[C@@H]1C[C@@H]2CC[NH2+]C[C@@H]2O1 ZINC001217872988 877344870 /nfs/dbraw/zinc/34/48/70/877344870.db2.gz VZBDIXRHIAKZMR-PYJNHQTQSA-N 1 0 324.381 1.272 20 5 DDBDRO Cc1nc(N2CCCN(c3cc[nH+]cc3)CC2)ncc1[N+](=O)[O-] ZINC001355323103 878497895 /nfs/dbraw/zinc/49/78/95/878497895.db2.gz UVAMTJOUXVPLAR-UHFFFAOYSA-N 1 0 314.349 1.805 20 5 DDBDRO C[C@H]([NH3+])[C@@H]1CN(C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC001356532335 879090658 /nfs/dbraw/zinc/09/06/58/879090658.db2.gz JMIVGQNUJOKIOU-MJVIPROJSA-N 1 0 322.365 1.413 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]1[NH2+]CC12CCCC2 ZINC001357145572 879816288 /nfs/dbraw/zinc/81/62/88/879816288.db2.gz PUEOGYFDPOJORZ-CQSZACIVSA-N 1 0 319.361 1.752 20 5 DDBDRO CC[N@@H+]1CC[C@@H](OCc2ccc(C(=O)OC)cc2[N+](=O)[O-])C1 ZINC001223413621 880951979 /nfs/dbraw/zinc/95/19/79/880951979.db2.gz MHOOCIOSSDZKBQ-CYBMUJFWSA-N 1 0 308.334 1.992 20 5 DDBDRO CCOc1ccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)cc1F ZINC001228356430 883463830 /nfs/dbraw/zinc/46/38/30/883463830.db2.gz IOZYOYLODVEGCK-LLVKDONJSA-N 1 0 300.350 1.587 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1nc2ncc(Cl)cc2o1 ZINC001229981858 884262437 /nfs/dbraw/zinc/26/24/37/884262437.db2.gz ORBWLEFQNPMWOW-SECBINFHSA-N 1 0 314.749 1.239 20 5 DDBDRO COC(=O)/C=C/c1cccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)c1 ZINC001231014128 885136996 /nfs/dbraw/zinc/13/69/96/885136996.db2.gz FVPZLOPJKNYDJT-MYSGNRETSA-N 1 0 322.381 1.235 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cnc2c(F)cccc2c1 ZINC001231144256 885281180 /nfs/dbraw/zinc/28/11/80/885281180.db2.gz VPRQHTVMAJDXLX-GFCCVEGCSA-N 1 0 307.345 1.737 20 5 DDBDRO CC[N@@H+]1CC[C@@H](Oc2cc(N3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC001234361137 887908102 /nfs/dbraw/zinc/90/81/02/887908102.db2.gz ZJVOHBQQUTYRQP-CQSZACIVSA-N 1 0 321.377 1.904 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc([C@@H]2CCC(=O)N2)cc1 ZINC001234492627 888026968 /nfs/dbraw/zinc/02/69/68/888026968.db2.gz UNRBCKMOMDYYMS-HIFRSBDPSA-O 1 0 321.397 1.000 20 5 DDBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc(C[C@@H]2CCCC[NH2+]2)n1 ZINC001248341117 893608351 /nfs/dbraw/zinc/60/83/51/893608351.db2.gz CULKTJZJEMMNCF-VIFPVBQESA-N 1 0 307.285 1.864 20 5 DDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCN1CCC[C@@H](O)C1 ZINC001254539599 896494045 /nfs/dbraw/zinc/49/40/45/896494045.db2.gz FTXXPTZIQPAOTR-DZGCQCFKSA-N 1 0 307.394 1.572 20 5 DDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CCN2C(=O)COC[C@@H]2C1 ZINC001254564400 896501270 /nfs/dbraw/zinc/50/12/70/896501270.db2.gz LNDLKGKDQROGFX-JSGCOSHPSA-N 1 0 319.361 1.069 20 5 DDBDRO COCCn1cncc1C[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254575167 896510364 /nfs/dbraw/zinc/51/03/64/896510364.db2.gz PGHRYGZIEFYWMK-AWEZNQCLSA-N 1 0 316.361 1.695 20 5 DDBDRO COC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254578087 896511552 /nfs/dbraw/zinc/51/15/52/896511552.db2.gz JAZOOGSZLODJCL-MRVWCRGKSA-N 1 0 304.346 1.993 20 5 DDBDRO COC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254578086 896511572 /nfs/dbraw/zinc/51/15/72/896511572.db2.gz JAZOOGSZLODJCL-KWCYVHTRSA-N 1 0 304.346 1.993 20 5 DDBDRO COC(=O)C[C@H]1CC[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254612381 896534354 /nfs/dbraw/zinc/53/43/54/896534354.db2.gz VUYOGICDLSYQKN-ABAIWWIYSA-N 1 0 304.346 1.947 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001263980016 900854355 /nfs/dbraw/zinc/85/43/55/900854355.db2.gz LEJBWASZLQXSAR-NILFDRSVSA-N 1 0 303.362 1.973 20 5 DDBDRO C/C=C(\C)C(=O)NC[C@H]1C[C@H]([NH2+]Cc2c([N+](=O)[O-])ncn2C)C1 ZINC001264418379 901106687 /nfs/dbraw/zinc/10/66/87/901106687.db2.gz QQPAZJWPVGDSER-PRUFFLOUSA-N 1 0 321.381 1.279 20 5 DDBDRO CC(=O)NC1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CCOCC1 ZINC001281191959 904547837 /nfs/dbraw/zinc/54/78/37/904547837.db2.gz JSSDPTNYUJYKGJ-UHFFFAOYSA-N 1 0 307.350 1.370 20 5 DDBDRO CCOc1cc(C(=O)N2CC[NH2+]CC2)c([N+](=O)[O-])cc1OC ZINC000076534990 185020644 /nfs/dbraw/zinc/02/06/44/185020644.db2.gz UPUZCJFUDPTLCX-UHFFFAOYSA-N 1 0 309.322 1.048 20 5 DDBDRO C[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1)C[NH+]1CCCC1 ZINC000076924481 185055800 /nfs/dbraw/zinc/05/58/00/185055800.db2.gz NZCZGZGIYRDHJZ-ZDUSSCGKSA-N 1 0 305.378 1.985 20 5 DDBDRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000614712414 361986016 /nfs/dbraw/zinc/98/60/16/361986016.db2.gz ASOIXRJCMLJUNG-CHWSQXEVSA-N 1 0 306.366 1.606 20 5 DDBDRO O=[N+]([O-])c1ccc(CN2CC[NH+](C[C@@H]3CCOC3)CC2)cc1F ZINC000278761168 214382867 /nfs/dbraw/zinc/38/28/67/214382867.db2.gz XUWQBCJHRRZBOB-AWEZNQCLSA-N 1 0 323.368 1.888 20 5 DDBDRO C[C@@H]1C[N@H+](CCO)CCN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000452113976 231306386 /nfs/dbraw/zinc/30/63/86/231306386.db2.gz JDDJVBZRAOBHFN-LLVKDONJSA-N 1 0 313.785 1.747 20 5 DDBDRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)c1cccc([N+](=O)[O-])c1 ZINC000452395975 231377130 /nfs/dbraw/zinc/37/71/30/231377130.db2.gz XNXQBQWXHKBLMA-AWEZNQCLSA-N 1 0 307.350 1.171 20 5 DDBDRO C[NH+](C)[C@@H]1CCC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000615293331 362240285 /nfs/dbraw/zinc/24/02/85/362240285.db2.gz JIKOJZZLDAROJO-CHWSQXEVSA-N 1 0 313.379 1.356 20 5 DDBDRO CC[C@@H]([NH2+]CCN1C(=O)CNC1=O)c1cccc([N+](=O)[O-])c1 ZINC000181527602 199312444 /nfs/dbraw/zinc/31/24/44/199312444.db2.gz TVFQECCFFLTJIU-GFCCVEGCSA-N 1 0 306.322 1.187 20 5 DDBDRO CNC(=O)NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000414543616 529882549 /nfs/dbraw/zinc/88/25/49/529882549.db2.gz OENYEKSLPUVCSN-UHFFFAOYSA-N 1 0 306.366 1.797 20 5 DDBDRO C[NH2+]C[C@@H]1CCCN1C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000417198547 529989711 /nfs/dbraw/zinc/98/97/11/529989711.db2.gz RHNUVDHHCVOHQW-LBPRGKRZSA-N 1 0 322.365 1.497 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000616092299 362543598 /nfs/dbraw/zinc/54/35/98/362543598.db2.gz YLGJRGYFHQYFQQ-HNNXBMFYSA-N 1 0 316.361 1.966 20 5 DDBDRO Cc1ccc([C@H](C)[NH2+]CCCN2C(=O)CNC2=O)cc1[N+](=O)[O-] ZINC000181827830 199358866 /nfs/dbraw/zinc/35/88/66/199358866.db2.gz QGAXKIXBSDZQMN-NSHDSACASA-N 1 0 320.349 1.496 20 5 DDBDRO COC[C@H](CO)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000279631680 215020055 /nfs/dbraw/zinc/02/00/55/215020055.db2.gz BYVGXJOKFHPAAO-LBPRGKRZSA-N 1 0 306.318 1.952 20 5 DDBDRO C[C@@H](C[NH+](C)C)NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000286861418 219199351 /nfs/dbraw/zinc/19/93/51/219199351.db2.gz CFSNRAYXQSQDHH-JTQLQIEISA-N 1 0 302.334 1.823 20 5 DDBDRO C[C@H](CCc1ccco1)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000314919336 290807477 /nfs/dbraw/zinc/80/74/77/290807477.db2.gz HMLQXILZMISTFW-DGCLKSJQSA-N 1 0 308.338 1.356 20 5 DDBDRO COc1cc(C(=O)NCCCC[NH+](C)C)cc([N+](=O)[O-])c1C ZINC000277372427 213477976 /nfs/dbraw/zinc/47/79/76/213477976.db2.gz ZMLFUTNEGOSACJ-UHFFFAOYSA-N 1 0 309.366 1.983 20 5 DDBDRO COc1ccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-] ZINC000237441082 186289528 /nfs/dbraw/zinc/28/95/28/186289528.db2.gz LTADQXZOYXORTD-FOSCPWQOSA-N 1 0 305.334 1.616 20 5 DDBDRO COc1ccc(CNC(=O)CC[C@@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000292028522 222791133 /nfs/dbraw/zinc/79/11/33/222791133.db2.gz GJCKJEBXVSXQAL-LBPRGKRZSA-N 1 0 307.350 1.752 20 5 DDBDRO Nc1c(C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)cc(F)cc1[N+](=O)[O-] ZINC000293296860 186654038 /nfs/dbraw/zinc/65/40/38/186654038.db2.gz HNYBXAVSYOSSLP-KWQFWETISA-N 1 0 308.313 1.140 20 5 DDBDRO CCOC(=O)c1cc(C(=O)NC[C@H](C)[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000025148928 352194871 /nfs/dbraw/zinc/19/48/71/352194871.db2.gz QPEQLIXMBMUQRB-JTQLQIEISA-N 1 0 323.349 1.451 20 5 DDBDRO Cc1ccc(S(=O)(=O)NC[C@H](C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000026857404 352212172 /nfs/dbraw/zinc/21/21/72/352212172.db2.gz KXXRNQYWLTUMOE-JTQLQIEISA-N 1 0 301.368 1.132 20 5 DDBDRO CC(=O)c1cc(N[C@@H](C)CN2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000287238679 219398494 /nfs/dbraw/zinc/39/84/94/219398494.db2.gz JKLLWFZKQONOAA-LBPRGKRZSA-N 1 0 320.393 1.845 20 5 DDBDRO CC[NH+]1CCN([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000043304254 352364955 /nfs/dbraw/zinc/36/49/55/352364955.db2.gz JCJSYVHRFNBIIZ-LBPRGKRZSA-N 1 0 306.366 1.559 20 5 DDBDRO C[C@H]1CCC[N@H+](CCNC(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000046863490 352466712 /nfs/dbraw/zinc/46/67/12/352466712.db2.gz KZKZRBGGVBEHAY-ZDUSSCGKSA-N 1 0 321.377 1.822 20 5 DDBDRO CNC(=O)c1ccc(N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c([N+](=O)[O-])c1 ZINC000053572008 352660744 /nfs/dbraw/zinc/66/07/44/352660744.db2.gz ZPXWNKGSSDBAKB-ZIAGYGMSSA-N 1 0 318.377 1.993 20 5 DDBDRO Cc1ccccc1C[NH+]1CCC(NC(=O)[C@H]2C[C@@H]2[N+](=O)[O-])CC1 ZINC000053968488 352674474 /nfs/dbraw/zinc/67/44/74/352674474.db2.gz ABDUDTMYONNUPN-HOTGVXAUSA-N 1 0 317.389 1.741 20 5 DDBDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000063707051 352920136 /nfs/dbraw/zinc/92/01/36/352920136.db2.gz KHKUUAABIIENTH-CYBMUJFWSA-N 1 0 305.378 1.984 20 5 DDBDRO C[C@@H](CNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)[NH+](C)C ZINC000067162001 353036467 /nfs/dbraw/zinc/03/64/67/353036467.db2.gz HGBOIRIFEKBJSP-NSHDSACASA-N 1 0 317.349 1.460 20 5 DDBDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccccc1[N+](=O)[O-] ZINC000069529188 353165671 /nfs/dbraw/zinc/16/56/71/353165671.db2.gz JPVJIFFOVWMPKC-GFCCVEGCSA-N 1 0 307.350 1.435 20 5 DDBDRO C[NH+](C)C1(CNC(=O)c2ccc([N+](=O)[O-])s2)CCOCC1 ZINC000073132301 353239297 /nfs/dbraw/zinc/23/92/97/353239297.db2.gz PWHCBHWDANTJAP-UHFFFAOYSA-N 1 0 313.379 1.497 20 5 DDBDRO O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000174321454 198319168 /nfs/dbraw/zinc/31/91/68/198319168.db2.gz OFXBXVLVGXQYTJ-NSHDSACASA-N 1 0 320.349 1.253 20 5 DDBDRO CN(CC[N@H+](C)C1CCCCC1)c1ncc([N+](=O)[O-])c(N)n1 ZINC000076268929 353409724 /nfs/dbraw/zinc/40/97/24/353409724.db2.gz ANUMSSZWJGAROL-UHFFFAOYSA-N 1 0 308.386 1.668 20 5 DDBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@@H](CO)C2)c([N+](=O)[O-])c1 ZINC000174705056 198373323 /nfs/dbraw/zinc/37/33/23/198373323.db2.gz CJIWUNZYYZCYRC-LLVKDONJSA-N 1 0 323.349 1.246 20 5 DDBDRO NC(=O)c1ccc(N2CCC([NH+]3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000079936037 353583357 /nfs/dbraw/zinc/58/33/57/353583357.db2.gz HRTORLZVXGAIBZ-UHFFFAOYSA-N 1 0 318.377 1.758 20 5 DDBDRO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083170728 353706480 /nfs/dbraw/zinc/70/64/80/353706480.db2.gz FNRXNPQHMWKNTR-VHSXEESVSA-N 1 0 318.333 1.822 20 5 DDBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@H]1COC[C@H]1O ZINC000601291511 358480626 /nfs/dbraw/zinc/48/06/26/358480626.db2.gz KZIZCKWLRDYPBH-ATVPRXPUSA-N 1 0 306.362 1.655 20 5 DDBDRO C[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC[NH2+]1 ZINC000092457285 353857873 /nfs/dbraw/zinc/85/78/73/353857873.db2.gz RJYNOSNNKISCMN-SECBINFHSA-N 1 0 301.293 1.990 20 5 DDBDRO CC[NH+]1CCN(CCCNc2ncc([N+](=O)[O-])cc2C)CC1 ZINC000092607669 353863462 /nfs/dbraw/zinc/86/34/62/353863462.db2.gz LWLNJYOPKQHLGA-UHFFFAOYSA-N 1 0 307.398 1.738 20 5 DDBDRO CCc1nn(C)c(N2CCC([NH+]3CCCC3)CC2)c1[N+](=O)[O-] ZINC000092828854 353871604 /nfs/dbraw/zinc/87/16/04/353871604.db2.gz TZCNJDGQOIAKGJ-UHFFFAOYSA-N 1 0 307.398 1.955 20 5 DDBDRO CC[N@@H+]1CCC[C@@H](Nc2ccc([N+](=O)[O-])cc2C(=O)NC)C1 ZINC000112076012 353970273 /nfs/dbraw/zinc/97/02/73/353970273.db2.gz FVBVSYNSQNCSJO-LLVKDONJSA-N 1 0 306.366 1.851 20 5 DDBDRO C[N@@H+]1CCC[C@H](CNC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000108342750 353951109 /nfs/dbraw/zinc/95/11/09/353951109.db2.gz GILLHDNGKFHMJM-GFCCVEGCSA-N 1 0 307.350 1.432 20 5 DDBDRO C[N@@H+]1CCC[C@@H](CNC(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000108346738 353951171 /nfs/dbraw/zinc/95/11/71/353951171.db2.gz GELRCCKKJUEHSV-LBPRGKRZSA-N 1 0 307.350 1.432 20 5 DDBDRO O=[N+]([O-])c1nn(CCC2CC[NH2+]CC2)cc1Br ZINC000134491949 354112095 /nfs/dbraw/zinc/11/20/95/354112095.db2.gz SSXCARSKEZPDLX-UHFFFAOYSA-N 1 0 303.160 1.944 20 5 DDBDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000275610330 354412488 /nfs/dbraw/zinc/41/24/88/354412488.db2.gz IIOOFQMOLNNSSQ-NXEZZACHSA-N 1 0 321.333 1.366 20 5 DDBDRO [NH3+]C[C@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C(F)(F)F ZINC000401708772 354665016 /nfs/dbraw/zinc/66/50/16/354665016.db2.gz GOXBAQGGDXKAQM-QMMMGPOBSA-N 1 0 311.647 1.868 20 5 DDBDRO C[NH+](C)C[C@H](CO)Nc1ncc(Br)cc1[N+](=O)[O-] ZINC000589102065 354959172 /nfs/dbraw/zinc/95/91/72/354959172.db2.gz YCBLIQGVLVXAQK-MRVPVSSYSA-N 1 0 319.159 1.087 20 5 DDBDRO C[N@@H+]1C[C@@H]2CCN(Cc3cc([N+](=O)[O-])cc4c3OCOC4)[C@@H]2C1 ZINC000590010681 355040143 /nfs/dbraw/zinc/04/01/43/355040143.db2.gz OSRDJTJXTLYSJK-XHDPSFHLSA-N 1 0 319.361 1.597 20 5 DDBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000590566852 355114992 /nfs/dbraw/zinc/11/49/92/355114992.db2.gz QMQKTLJEKPQEHH-OLZOCXBDSA-N 1 0 320.393 1.582 20 5 DDBDRO C[N@@H+]1C[C@@H]2CCN(C(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)[C@@H]2C1 ZINC000590445476 355098855 /nfs/dbraw/zinc/09/88/55/355098855.db2.gz MYSYZPLZJCWVOV-ZUZCIYMTSA-N 1 0 314.345 1.852 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000332580474 235140613 /nfs/dbraw/zinc/14/06/13/235140613.db2.gz HTPDBWDARYWDLN-CYBMUJFWSA-N 1 0 318.377 1.622 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000332581467 235143229 /nfs/dbraw/zinc/14/32/29/235143229.db2.gz APPNWQPTCLKPJE-QWHCGFSZSA-N 1 0 303.362 1.893 20 5 DDBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000290322953 291062450 /nfs/dbraw/zinc/06/24/50/291062450.db2.gz DOGUXVYCIQNGIN-CMPLNLGQSA-N 1 0 320.349 1.394 20 5 DDBDRO Cn1c2cc(NCC3([NH+](C)C)CC3)c([N+](=O)[O-])cc2n(C)c1=O ZINC000591369167 355302623 /nfs/dbraw/zinc/30/26/23/355302623.db2.gz YBDMGYOWOVYEMZ-UHFFFAOYSA-N 1 0 319.365 1.291 20 5 DDBDRO C[C@H]1C[NH2+]CC[C@H]1NCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000591279355 355276990 /nfs/dbraw/zinc/27/69/90/355276990.db2.gz MUIZNVXEDLUKHB-CMPLNLGQSA-N 1 0 307.350 1.454 20 5 DDBDRO CO[C@@H]([C@H](C)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000591770594 355382150 /nfs/dbraw/zinc/38/21/50/355382150.db2.gz QFPJFPXKOHLTEX-PEYYIBSZSA-N 1 0 324.377 1.738 20 5 DDBDRO O=C(NCC[NH2+]C1CC1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000591679143 355360829 /nfs/dbraw/zinc/36/08/29/355360829.db2.gz BFEYULKNVSVLAD-UHFFFAOYSA-N 1 0 300.318 1.625 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CCOC3(CC[NH+](C)CC3)C2)n1 ZINC000591990868 355455296 /nfs/dbraw/zinc/45/52/96/355455296.db2.gz FIZFDSJBQUPBIG-UHFFFAOYSA-N 1 0 320.393 1.908 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CC1(CCO)CCC1 ZINC000592431651 355581946 /nfs/dbraw/zinc/58/19/46/355581946.db2.gz VNLWHZJOCBPCEB-ZDUSSCGKSA-N 1 0 324.377 1.477 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1CC[NH2+]C12CCCC2 ZINC000592569898 355632619 /nfs/dbraw/zinc/63/26/19/355632619.db2.gz GNGXUWNMHHIFMF-LBPRGKRZSA-N 1 0 321.381 1.281 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[C@H]3C[N@H+](C)C[C@H]32)c1 ZINC000593029327 355774586 /nfs/dbraw/zinc/77/45/86/355774586.db2.gz FFXPAVAPRACXDH-SWLSCSKDSA-N 1 0 319.361 1.517 20 5 DDBDRO C[C@@H]1[C@@H](C)[N@@H+](C)C[C@H](C)N1C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000593187837 355821279 /nfs/dbraw/zinc/82/12/79/355821279.db2.gz USWHIQWUFBGJCU-QJPTWQEYSA-N 1 0 309.370 1.121 20 5 DDBDRO C[NH+](C)CCN(C(=O)Cc1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000593893749 356045504 /nfs/dbraw/zinc/04/55/04/356045504.db2.gz AEUKQIVQNVPKTI-UHFFFAOYSA-N 1 0 309.341 1.829 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](C)[C@@H]2CC[NH3+])n1 ZINC000593914220 356057271 /nfs/dbraw/zinc/05/72/71/356057271.db2.gz BEIQIFJPXFVLSR-MNOVXSKESA-N 1 0 309.370 1.401 20 5 DDBDRO O=C(Nc1ccncc1[N+](=O)[O-])N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594081517 356108025 /nfs/dbraw/zinc/10/80/25/356108025.db2.gz OFPMLORGBRPJLP-DGCLKSJQSA-N 1 0 319.365 1.550 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000594105474 356113975 /nfs/dbraw/zinc/11/39/75/356113975.db2.gz HEWNONUSCVZHLA-KLPPZKSPSA-N 1 0 307.350 1.673 20 5 DDBDRO CSc1ccc(C(=O)N[C@H](C[NH3+])C(F)(F)F)cc1[N+](=O)[O-] ZINC000594451612 356221501 /nfs/dbraw/zinc/22/15/01/356221501.db2.gz OJKAUMUVXDORSX-SECBINFHSA-N 1 0 323.296 1.936 20 5 DDBDRO COc1cc(CN[C@H](C[NH3+])C(F)(F)F)c([N+](=O)[O-])cc1OC ZINC000594583238 356256119 /nfs/dbraw/zinc/25/61/19/356256119.db2.gz FAMPJRVXWSNGAI-LLVKDONJSA-N 1 0 323.271 1.591 20 5 DDBDRO CO[C@](C)(CO)C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000594507203 356239527 /nfs/dbraw/zinc/23/95/27/356239527.db2.gz AWUJZUKSHMPBSR-DYEKYZERSA-N 1 0 312.370 1.262 20 5 DDBDRO CO[C@](C)(CO)C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000594507200 356239763 /nfs/dbraw/zinc/23/97/63/356239763.db2.gz AWUJZUKSHMPBSR-BZPMIXESSA-N 1 0 312.370 1.262 20 5 DDBDRO COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000594921131 356354835 /nfs/dbraw/zinc/35/48/35/356354835.db2.gz BURXXYZZIIOFKF-DDTOSNHZSA-N 1 0 308.334 1.761 20 5 DDBDRO Cn1ncc(C(F)(F)F)c1C[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000594931033 356358360 /nfs/dbraw/zinc/35/83/60/356358360.db2.gz KJSZSTUVLMJKJN-UHFFFAOYSA-N 1 0 318.259 1.333 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCN1CCO[C@@H](C)C1 ZINC000595012868 356371881 /nfs/dbraw/zinc/37/18/81/356371881.db2.gz PLRSZTIHVAKUHU-STQMWFEESA-N 1 0 323.393 1.975 20 5 DDBDRO O=C(CN1CCC[C@H]2C[NH2+]CC[C@@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000601335144 358503727 /nfs/dbraw/zinc/50/37/27/358503727.db2.gz QUBYAVDPDLNQLI-JSGCOSHPSA-N 1 0 318.377 1.607 20 5 DDBDRO CCS(=O)(=O)C1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000594993299 356369972 /nfs/dbraw/zinc/36/99/72/356369972.db2.gz NHCSSGNCDWNGAJ-UHFFFAOYSA-N 1 0 312.391 1.960 20 5 DDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000595239954 356414519 /nfs/dbraw/zinc/41/45/19/356414519.db2.gz IAXKQGFCIBUJEO-UHFFFAOYSA-N 1 0 322.365 1.291 20 5 DDBDRO [NH3+]C1(CNC(=O)NCCOc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000595264779 356425650 /nfs/dbraw/zinc/42/56/50/356425650.db2.gz FARDRXPAFYKSLL-UHFFFAOYSA-N 1 0 322.365 1.544 20 5 DDBDRO C[NH2+]C[C@H](C)NC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000595276284 356429569 /nfs/dbraw/zinc/42/95/69/356429569.db2.gz WWIAJPHCQMOUIL-LBPRGKRZSA-N 1 0 321.381 1.034 20 5 DDBDRO CC[NH+]1CCN([C@H]2CCN(Cc3onc(C)c3[N+](=O)[O-])C2)CC1 ZINC000595315303 356446630 /nfs/dbraw/zinc/44/66/30/356446630.db2.gz ZYQJMFIVSKJVLR-ZDUSSCGKSA-N 1 0 323.397 1.103 20 5 DDBDRO CCOC[C@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000081522084 192281259 /nfs/dbraw/zinc/28/12/59/192281259.db2.gz LURJJRARIKCLPW-NSHDSACASA-N 1 0 307.350 1.552 20 5 DDBDRO CCOc1cc(C(=O)N2CC[NH2+][C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000236887669 202052788 /nfs/dbraw/zinc/05/27/88/202052788.db2.gz PZLFCTVYHPFVCD-JTQLQIEISA-N 1 0 323.349 1.436 20 5 DDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC(C)(C)[NH3+] ZINC000236982814 202107124 /nfs/dbraw/zinc/10/71/24/202107124.db2.gz IWSMSDUALQTMBY-UHFFFAOYSA-N 1 0 301.368 1.173 20 5 DDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H]2COC[C@@]2(C)C1 ZINC000595755462 356637113 /nfs/dbraw/zinc/63/71/13/356637113.db2.gz ARLLWCNSJQONHQ-XHBSWPGZSA-N 1 0 319.361 1.890 20 5 DDBDRO COc1cc(CN(C)C2CC[NH2+]CC2)c([N+](=O)[O-])cc1OC ZINC000347185882 283202548 /nfs/dbraw/zinc/20/25/48/283202548.db2.gz YTRRAJWIMQOOLB-UHFFFAOYSA-N 1 0 309.366 1.796 20 5 DDBDRO CCOc1cc(C(=O)NC[C@H](C)C[NH3+])c([N+](=O)[O-])cc1OC ZINC000237036691 202131532 /nfs/dbraw/zinc/13/15/32/202131532.db2.gz XXWFQESAGNHPRY-SECBINFHSA-N 1 0 311.338 1.327 20 5 DDBDRO C[NH2+]C[C@H]1CCCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000237063732 202138974 /nfs/dbraw/zinc/13/89/74/202138974.db2.gz HFWJJXCGKUJCLZ-SNVBAGLBSA-N 1 0 317.349 1.543 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@@H](C3CCC3)C2)c1 ZINC000595838737 356673673 /nfs/dbraw/zinc/67/36/73/356673673.db2.gz VHVLNKQLXHPJTC-HIFRSBDPSA-N 1 0 308.382 1.664 20 5 DDBDRO CN(CC(=O)NC[C@@H]1CCC[NH2+]C1)c1ccccc1[N+](=O)[O-] ZINC000237063743 202138671 /nfs/dbraw/zinc/13/86/71/202138671.db2.gz GCCHWEONBRDMEG-GFCCVEGCSA-N 1 0 306.366 1.147 20 5 DDBDRO CN(CCOc1cccc([N+](=O)[O-])c1)[C@H](C[NH3+])C(F)(F)F ZINC000595909308 356701708 /nfs/dbraw/zinc/70/17/08/356701708.db2.gz RJDIATIHUAUBSV-LLVKDONJSA-N 1 0 307.272 1.795 20 5 DDBDRO CC[C@H]([NH2+]C)C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000595925092 356706843 /nfs/dbraw/zinc/70/68/43/356706843.db2.gz RQQYRGQVVZGIMV-JQWIXIFHSA-N 1 0 307.354 1.001 20 5 DDBDRO C[C@@]1(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC[NH2+]C1 ZINC000595992951 356739307 /nfs/dbraw/zinc/73/93/07/356739307.db2.gz USICZDJJVPQQEG-MRXNPFEDSA-N 1 0 318.377 1.677 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)C1([NH2+]C2CC2)CCC1 ZINC000595932070 356710311 /nfs/dbraw/zinc/71/03/11/356710311.db2.gz KOFZBQUSNWLLGF-UHFFFAOYSA-N 1 0 319.361 1.894 20 5 DDBDRO CC[NH+]1CCN([C@@H](C)CNc2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596078534 356765346 /nfs/dbraw/zinc/76/53/46/356765346.db2.gz SVWVPKIAJMJFFY-NSHDSACASA-N 1 0 309.370 1.133 20 5 DDBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC(CO)([NH2+]CC(C)C)CC1 ZINC000596252485 356833190 /nfs/dbraw/zinc/83/31/90/356833190.db2.gz FDNUHCIPWVIVFH-UHFFFAOYSA-N 1 0 322.409 1.875 20 5 DDBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596160435 356797307 /nfs/dbraw/zinc/79/73/07/356797307.db2.gz VVNNXDDLNSNAIV-YPMHNXCESA-N 1 0 318.377 1.757 20 5 DDBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2c2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596166794 356799452 /nfs/dbraw/zinc/79/94/52/356799452.db2.gz WQOGNJRHMGBWAQ-FZMZJTMJSA-N 1 0 318.377 1.614 20 5 DDBDRO CC(C)[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CC[N@@H+]1C ZINC000596206012 356813567 /nfs/dbraw/zinc/81/35/67/356813567.db2.gz JWLIDHNVNHCMNZ-AWEZNQCLSA-N 1 0 306.366 1.470 20 5 DDBDRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000597853876 357358302 /nfs/dbraw/zinc/35/83/02/357358302.db2.gz CSCIVSGMVPXBNL-LLVKDONJSA-N 1 0 309.370 1.028 20 5 DDBDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000597857314 357360214 /nfs/dbraw/zinc/36/02/14/357360214.db2.gz DBVIPDAFQVIQKB-LLVKDONJSA-N 1 0 323.397 1.515 20 5 DDBDRO CCN(C(=O)CN(C)c1ccccc1[N+](=O)[O-])[C@H]1CC[N@H+](C)C1 ZINC000597944553 357393526 /nfs/dbraw/zinc/39/35/26/357393526.db2.gz FBKDZTXRTDRAII-ZDUSSCGKSA-N 1 0 320.393 1.584 20 5 DDBDRO CCN(C(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-])[C@@H]1CC[N@H+](C)C1 ZINC000597946005 357393802 /nfs/dbraw/zinc/39/38/02/357393802.db2.gz MKQIXAHPBPAMNO-SNVBAGLBSA-N 1 0 309.370 1.608 20 5 DDBDRO CCN(C(=O)c1ccc([N+](=O)[O-])c(OC)c1)[C@H]1CC[N@H+](C)C1 ZINC000597946879 357394697 /nfs/dbraw/zinc/39/46/97/357394697.db2.gz RVLJNSDNAPGQSL-LBPRGKRZSA-N 1 0 307.350 1.770 20 5 DDBDRO C[C@H](CCNC(=O)CCOc1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000597997081 357412311 /nfs/dbraw/zinc/41/23/11/357412311.db2.gz KYWXZKWAXFGVKJ-GFCCVEGCSA-N 1 0 309.366 1.820 20 5 DDBDRO [NH3+]C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C1 ZINC000178535419 198885003 /nfs/dbraw/zinc/88/50/03/198885003.db2.gz JLDSONUTTPGXJK-GFCCVEGCSA-N 1 0 318.377 1.616 20 5 DDBDRO COC(=O)[C@]1(C)CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000178866893 198943506 /nfs/dbraw/zinc/94/35/06/198943506.db2.gz DPESEKAWIDKYPG-DZGCQCFKSA-N 1 0 308.334 1.513 20 5 DDBDRO Cc1ccc(S(=O)(=O)NC[C@H](C)[NH+](C)C)c(C)c1[N+](=O)[O-] ZINC000598619218 357656649 /nfs/dbraw/zinc/65/66/49/357656649.db2.gz MEWQZKCJIGGJRR-JTQLQIEISA-N 1 0 315.395 1.440 20 5 DDBDRO C[C@H]([NH3+])C1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000178828358 198937428 /nfs/dbraw/zinc/93/74/28/198937428.db2.gz ZIENVFLYMKHDLA-VIFPVBQESA-N 1 0 322.321 1.702 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000598665708 357677003 /nfs/dbraw/zinc/67/70/03/357677003.db2.gz YGQYJAVMFDZYNP-LBPRGKRZSA-N 1 0 321.377 1.999 20 5 DDBDRO COc1ccc(OCCN2C[C@@H]3CCC[C@@]3([NH3+])C2)c([N+](=O)[O-])c1 ZINC000598681743 357684764 /nfs/dbraw/zinc/68/47/64/357684764.db2.gz JIJPDRJQEQHHBW-BLLLJJGKSA-N 1 0 321.377 1.795 20 5 DDBDRO C[C@H](CNc1ccc2cnccc2c1[N+](=O)[O-])S(N)(=O)=O ZINC000599064443 357805716 /nfs/dbraw/zinc/80/57/16/357805716.db2.gz MJBCMLWFLCLZNN-MRVPVSSYSA-N 1 0 310.335 1.232 20 5 DDBDRO C[N@@H+]1CC[C@](O)(CNc2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000599064838 357806084 /nfs/dbraw/zinc/80/60/84/357806084.db2.gz FONYJIVDEMXNFT-HNNXBMFYSA-N 1 0 302.334 1.622 20 5 DDBDRO CC1([NH+]2CCOCC2)CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000599159585 357832442 /nfs/dbraw/zinc/83/24/42/357832442.db2.gz CIKVQTXZBUDGMR-UHFFFAOYSA-N 1 0 306.366 1.681 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000599160185 357833291 /nfs/dbraw/zinc/83/32/91/357833291.db2.gz IPJFPOZMMPBBJT-UHFFFAOYSA-N 1 0 309.370 1.019 20 5 DDBDRO NC(=O)c1ccnc(NC[C@@H]2CC[N@@H+]2C2CCCC2)c1[N+](=O)[O-] ZINC000599163076 357834714 /nfs/dbraw/zinc/83/47/14/357834714.db2.gz ATCHAGJVUDDUOQ-NSHDSACASA-N 1 0 319.365 1.518 20 5 DDBDRO O=[N+]([O-])c1cc2c(ncnc2NCC[N@H+]2CC[C@H](O)C2)s1 ZINC000599199221 357847609 /nfs/dbraw/zinc/84/76/09/357847609.db2.gz HJORLFBIMJVBEM-QMMMGPOBSA-N 1 0 309.351 1.078 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000599591495 357985201 /nfs/dbraw/zinc/98/52/01/357985201.db2.gz UXEFSSXJIUOANJ-ZJUUUORDSA-N 1 0 308.338 1.865 20 5 DDBDRO C[C@@H]1CC[C@@H](NC(=O)NCCc2ccc([N+](=O)[O-])cc2)C[NH2+]1 ZINC000599906721 358078000 /nfs/dbraw/zinc/07/80/00/358078000.db2.gz HQXFRPOZGMHGHL-DGCLKSJQSA-N 1 0 306.366 1.577 20 5 DDBDRO C[C@@H]1CC[C@H](NC(=O)NCCc2ccc([N+](=O)[O-])cc2)C[NH2+]1 ZINC000599906724 358078337 /nfs/dbraw/zinc/07/83/37/358078337.db2.gz HQXFRPOZGMHGHL-YPMHNXCESA-N 1 0 306.366 1.577 20 5 DDBDRO COc1ccc(CNC(=O)N[C@@H]2CC[NH2+][C@H]2C)cc1[N+](=O)[O-] ZINC000599909737 358079049 /nfs/dbraw/zinc/07/90/49/358079049.db2.gz YGUIKFPEUJKQHH-GXSJLCMTSA-N 1 0 308.338 1.153 20 5 DDBDRO Cc1ccc([C@@H](C)NC(=O)N(C)CCOCC[NH3+])cc1[N+](=O)[O-] ZINC000599919592 358080973 /nfs/dbraw/zinc/08/09/73/358080973.db2.gz FDDNZZDIGGVCPK-GFCCVEGCSA-N 1 0 324.381 1.581 20 5 DDBDRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)C[C@H]21 ZINC000599988956 358096954 /nfs/dbraw/zinc/09/69/54/358096954.db2.gz PIICXECXOGQSEW-YABSGUDNSA-N 1 0 315.333 1.103 20 5 DDBDRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)CNc3ccccc3[N+](=O)[O-])C[C@@H]12 ZINC000185148801 199816185 /nfs/dbraw/zinc/81/61/85/199816185.db2.gz QPEQOQVFNOSDTI-IJLUTSLNSA-N 1 0 304.350 1.202 20 5 DDBDRO C[C@]12C[NH2+]C[C@@]1(C)CN(CCOc1cccc([N+](=O)[O-])c1)C2 ZINC000600745342 358305357 /nfs/dbraw/zinc/30/53/57/358305357.db2.gz FMQIPEJSSFHDQL-IYBDPMFKSA-N 1 0 305.378 1.905 20 5 DDBDRO COc1cc(C[N@@H+]2CC[C@@H]([C@@H](C)O)C2)c([N+](=O)[O-])cc1OC ZINC000180860888 199220205 /nfs/dbraw/zinc/22/02/05/199220205.db2.gz RFYHUUHNTCHBKA-GHMZBOCLSA-N 1 0 310.350 1.815 20 5 DDBDRO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CC[NH+]2CCC1CC2 ZINC000601153514 358424113 /nfs/dbraw/zinc/42/41/13/358424113.db2.gz PQCSWFZWYPTFSN-UHFFFAOYSA-N 1 0 319.287 1.632 20 5 DDBDRO C[NH+](C)C1(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000601449148 358558763 /nfs/dbraw/zinc/55/87/63/358558763.db2.gz UGHGHFUEXNHSQY-UHFFFAOYSA-N 1 0 317.342 1.106 20 5 DDBDRO O=C(Cc1ccccc1[N+](=O)[O-])N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000601557859 358599860 /nfs/dbraw/zinc/59/98/60/358599860.db2.gz OVFXKEPMNFIIIW-UONOGXRCSA-N 1 0 303.362 1.738 20 5 DDBDRO Cc1nn(C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000601956661 358753046 /nfs/dbraw/zinc/75/30/46/358753046.db2.gz GWJCLDUZARHMCY-INIZCTEOSA-N 1 0 316.361 1.737 20 5 DDBDRO CC(C)[C@@H]1C[NH2+]CCN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000602526210 359026038 /nfs/dbraw/zinc/02/60/38/359026038.db2.gz DYIZIPKLTVSNKA-ZDUSSCGKSA-N 1 0 307.350 1.430 20 5 DDBDRO COc1ccc(C(=O)N2CC[NH2+]C[C@H]2C(C)C)cc1[N+](=O)[O-] ZINC000602531546 359030349 /nfs/dbraw/zinc/03/03/49/359030349.db2.gz UPEYAHJOALHHDI-ZDUSSCGKSA-N 1 0 307.350 1.673 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3CCCOC3)CC2)cn1 ZINC000602539358 359034408 /nfs/dbraw/zinc/03/44/08/359034408.db2.gz KKWMXNOEXONFEV-CYBMUJFWSA-N 1 0 306.366 1.727 20 5 DDBDRO C[C@@](O)(C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C1CC1 ZINC000602544617 359036330 /nfs/dbraw/zinc/03/63/30/359036330.db2.gz IHBREUQKVSSDEO-MRXNPFEDSA-N 1 0 320.393 1.709 20 5 DDBDRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000602572523 359050381 /nfs/dbraw/zinc/05/03/81/359050381.db2.gz QCPLFGNINJAAMZ-SMDDNHRTSA-N 1 0 306.366 1.654 20 5 DDBDRO Cc1ccc([C@H](C)NC(=O)[C@]2(C)C[NH2+]CCO2)cc1[N+](=O)[O-] ZINC000602469016 358999377 /nfs/dbraw/zinc/99/93/77/358999377.db2.gz YRHAUEWDNIKJAO-NHYWBVRUSA-N 1 0 307.350 1.459 20 5 DDBDRO CO[C@@]1(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CCOC1 ZINC000602472606 359001662 /nfs/dbraw/zinc/00/16/62/359001662.db2.gz JBTCOSOISMCYIR-IUODEOHRSA-N 1 0 322.365 1.282 20 5 DDBDRO O=C(c1ccc([N+](=O)[O-])o1)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000602584063 359055686 /nfs/dbraw/zinc/05/56/86/359055686.db2.gz XSBBKOVTPPPCQQ-LBPRGKRZSA-N 1 0 323.349 1.419 20 5 DDBDRO COCCOC1CC[NH+](CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000602786709 359191474 /nfs/dbraw/zinc/19/14/74/359191474.db2.gz ZSLBBUHCAUMNQQ-UHFFFAOYSA-N 1 0 312.370 1.227 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H](CO)C3CCC3)CC2)cn1 ZINC000602704575 359135872 /nfs/dbraw/zinc/13/58/72/359135872.db2.gz ASEIGXWTBOOPQI-HNNXBMFYSA-N 1 0 320.393 1.709 20 5 DDBDRO COC(=O)CC1CC[NH+](CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000602762264 359172529 /nfs/dbraw/zinc/17/25/29/359172529.db2.gz DOCYULADYGKWHC-UHFFFAOYSA-N 1 0 310.354 1.375 20 5 DDBDRO COCCO[C@@H]1CCC[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602795264 359198174 /nfs/dbraw/zinc/19/81/74/359198174.db2.gz ADBXHDQYXPLJGD-CYBMUJFWSA-N 1 0 312.370 1.227 20 5 DDBDRO CC[C@H]1C(=O)N(CC)CCN1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602810463 359206866 /nfs/dbraw/zinc/20/68/66/359206866.db2.gz GAKFTAQKYFDCMY-LBPRGKRZSA-N 1 0 309.370 1.042 20 5 DDBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H](O)C[C@@](C)(O)C1CC1 ZINC000602831702 359223403 /nfs/dbraw/zinc/22/34/03/359223403.db2.gz PWHXIDNHNMMMKF-DOTOQJQBSA-N 1 0 322.405 1.981 20 5 DDBDRO C[C@@H]1CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@H](CO)C1 ZINC000602930626 359300845 /nfs/dbraw/zinc/30/08/45/359300845.db2.gz IDILTDPBBBZSBQ-RDBSUJKOSA-N 1 0 324.377 1.427 20 5 DDBDRO Cc1cncc([N+](=O)[O-])c1NC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000602953653 359319637 /nfs/dbraw/zinc/31/96/37/359319637.db2.gz BZBYMMPWBZVOTF-LBPRGKRZSA-N 1 0 317.349 1.198 20 5 DDBDRO C[N@@H+]1CCC[C@@H]1CCN[C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602963070 359326163 /nfs/dbraw/zinc/32/61/63/359326163.db2.gz SUXQZCXHFSPJPB-ZBFHGGJFSA-N 1 0 307.394 1.876 20 5 DDBDRO CCn1nccc1CC[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602963737 359328087 /nfs/dbraw/zinc/32/80/87/359328087.db2.gz ZKARILVFKNJTLN-MRXNPFEDSA-N 1 0 318.377 1.851 20 5 DDBDRO CCC1([NH+](C)C)CCN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC1 ZINC000603216460 359488490 /nfs/dbraw/zinc/48/84/90/359488490.db2.gz UYIUXCCMRFPQTA-UHFFFAOYSA-N 1 0 322.365 1.642 20 5 DDBDRO COC(=O)c1ccnc(N[C@H]2C[C@H]([NH+](C)C)C2(C)C)c1[N+](=O)[O-] ZINC000603408461 359622294 /nfs/dbraw/zinc/62/22/94/359622294.db2.gz XRYZGOMXWWKEEP-QWRGUYRKSA-N 1 0 322.365 1.917 20 5 DDBDRO CC[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C[C@H]1CCOC1 ZINC000603854340 359687846 /nfs/dbraw/zinc/68/78/46/359687846.db2.gz GUIPMQLYMTZGHR-UKRRQHHQSA-N 1 0 324.377 1.693 20 5 DDBDRO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000604044489 359714090 /nfs/dbraw/zinc/71/40/90/359714090.db2.gz QKFQVKKXIITIPZ-UHFFFAOYSA-N 1 0 301.306 1.280 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000604265800 359730536 /nfs/dbraw/zinc/73/05/36/359730536.db2.gz RUBPOFULYGKDLZ-GFCCVEGCSA-N 1 0 306.366 1.634 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000604290911 359732406 /nfs/dbraw/zinc/73/24/06/359732406.db2.gz LXZWBRUKWNTYKG-LBPRGKRZSA-N 1 0 322.365 1.497 20 5 DDBDRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000237612186 202303582 /nfs/dbraw/zinc/30/35/82/202303582.db2.gz GNCJUCVYANRARE-VHSXEESVSA-N 1 0 311.769 2.000 20 5 DDBDRO [NH3+]CCCNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000237794368 202356108 /nfs/dbraw/zinc/35/61/08/202356108.db2.gz LEZGZMJKXUVFOT-UHFFFAOYSA-N 1 0 302.128 1.436 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CC[NH2+][C@H](C)C2)cc1[N+](=O)[O-] ZINC000189022316 200336454 /nfs/dbraw/zinc/33/64/54/200336454.db2.gz MTZCELPNAOLEEL-MRVPVSSYSA-N 1 0 308.294 1.245 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[NH+](C[C@H](C)O)CC1 ZINC000189315003 200380388 /nfs/dbraw/zinc/38/03/88/200380388.db2.gz PHXGZZDDMLEMLS-UONOGXRCSA-N 1 0 307.394 1.963 20 5 DDBDRO CC[N@H+](CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)C(C)C ZINC000609583291 360329274 /nfs/dbraw/zinc/32/92/74/360329274.db2.gz RBALMNFUTHNQRY-UHFFFAOYSA-N 1 0 323.349 1.784 20 5 DDBDRO O=C1[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CCN1C1CCOCC1 ZINC000610479556 360446279 /nfs/dbraw/zinc/44/62/79/360446279.db2.gz BCOAASGPVSKPFH-HNNXBMFYSA-N 1 0 319.361 1.464 20 5 DDBDRO CN(CC(=O)N[C@@H]1CCC[N@H+](C)C1)c1ccccc1[N+](=O)[O-] ZINC000610292834 360411156 /nfs/dbraw/zinc/41/11/56/360411156.db2.gz QJOJKEIKAZPASC-GFCCVEGCSA-N 1 0 306.366 1.241 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@H](n2ccnc2)C1 ZINC000611185064 360652916 /nfs/dbraw/zinc/65/29/16/360652916.db2.gz HAEWWYZKLCMALE-ZDUSSCGKSA-N 1 0 317.349 1.290 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CCC([N@H+](C)CCCO)CC2)n1 ZINC000611616489 360777349 /nfs/dbraw/zinc/77/73/49/360777349.db2.gz SVBVLZPRZKGNBD-UHFFFAOYSA-N 1 0 322.409 1.890 20 5 DDBDRO C[N@H+]1CC=C(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000271899824 209308729 /nfs/dbraw/zinc/30/87/29/209308729.db2.gz GOQBGJPDYAQCEF-UHFFFAOYSA-N 1 0 308.313 1.308 20 5 DDBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@H]2CC[C@@H](CO)O2)c1 ZINC000292668296 223192737 /nfs/dbraw/zinc/19/27/37/223192737.db2.gz LZXRRUVXEAGESU-NEPJUHHUSA-N 1 0 300.742 1.878 20 5 DDBDRO C[C@H]1CCNC(=O)[C@H]1[NH2+]CCCOc1ccc([N+](=O)[O-])cc1 ZINC000193655887 201095425 /nfs/dbraw/zinc/09/54/25/201095425.db2.gz XQKKLIKVKXFZAC-FZMZJTMJSA-N 1 0 307.350 1.478 20 5 DDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)NCC12CCC[NH+]1CCC2 ZINC000619574150 364067977 /nfs/dbraw/zinc/06/79/77/364067977.db2.gz UOUAKRFMIJKHDN-UHFFFAOYSA-N 1 0 304.350 1.535 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1N1CCC[N@@H+](CCO)CC1)CCN2 ZINC000275333315 212275648 /nfs/dbraw/zinc/27/56/48/212275648.db2.gz GIQVZMVBMNRBRT-UHFFFAOYSA-N 1 0 306.366 1.067 20 5 DDBDRO O=c1onc(-c2cccc([N+](=O)[O-])c2)n1CCC[NH+]1CCCC1 ZINC000566209283 304129316 /nfs/dbraw/zinc/12/93/16/304129316.db2.gz RRUMHWMPLBWDSJ-UHFFFAOYSA-N 1 0 318.333 1.897 20 5 DDBDRO C[C@@H]1CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000261676105 203092227 /nfs/dbraw/zinc/09/22/27/203092227.db2.gz CYVRCMXUPTZOFI-CHWSQXEVSA-N 1 0 321.377 1.950 20 5 DDBDRO COc1ccc(CNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000261870369 203139561 /nfs/dbraw/zinc/13/95/61/203139561.db2.gz XVNDYRVXGDUTKJ-VXGBXAGGSA-N 1 0 307.350 1.595 20 5 DDBDRO C[C@@H](CC[NH3+])NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000349984383 284126437 /nfs/dbraw/zinc/12/64/37/284126437.db2.gz DJNYQINELRSERP-IUCAKERBSA-N 1 0 315.757 1.869 20 5 DDBDRO Cc1cc(C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)cc([N+](=O)[O-])c1 ZINC000261949536 203158458 /nfs/dbraw/zinc/15/84/58/203158458.db2.gz WEABORLRCQALMB-AWEZNQCLSA-N 1 0 318.377 1.023 20 5 DDBDRO COc1cc(C(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000262351724 203271326 /nfs/dbraw/zinc/27/13/26/203271326.db2.gz VGGVBJGMGLGCAT-PWSUYJOCSA-N 1 0 307.350 1.721 20 5 DDBDRO [NH3+]CCc1nc(C(=O)NCCc2ccccc2[N+](=O)[O-])cs1 ZINC000262353708 203271016 /nfs/dbraw/zinc/27/10/16/203271016.db2.gz IXSDIEUCUURRRN-UHFFFAOYSA-N 1 0 320.374 1.525 20 5 DDBDRO COc1cc(C(=O)N[C@@H]2[C@H](C)CC[NH2+][C@@H]2C)ccc1[N+](=O)[O-] ZINC000262392020 203281281 /nfs/dbraw/zinc/28/12/81/203281281.db2.gz BJCRTRRFDIIKLW-GPCCPHFNSA-N 1 0 307.350 1.720 20 5 DDBDRO Cc1c(NC(=O)[C@H](C)N2C[C@@H]3C[NH2+]C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000359310561 299408492 /nfs/dbraw/zinc/40/84/92/299408492.db2.gz QQNMZQZJWQKPEI-AVGNSLFASA-N 1 0 318.377 1.381 20 5 DDBDRO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])s1)N1CC[NH+](C)CC1 ZINC000263748281 203542728 /nfs/dbraw/zinc/54/27/28/203542728.db2.gz JLWLJYMJYCKCAB-JTQLQIEISA-N 1 0 312.395 1.022 20 5 DDBDRO Cc1c(C(=O)NCCCC[NH+](C)C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000264857736 204213904 /nfs/dbraw/zinc/21/39/04/204213904.db2.gz DHMQLOJMQOKLEB-UHFFFAOYSA-N 1 0 324.337 1.883 20 5 DDBDRO Cc1cc(C(=O)NC[C@H](C)N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000265002112 204335600 /nfs/dbraw/zinc/33/56/00/204335600.db2.gz DZXWRJNQHOUPDQ-ZDUSSCGKSA-N 1 0 320.393 1.269 20 5 DDBDRO CCc1ccc(C(=O)NCCNc2cc[nH+]cc2)cc1[N+](=O)[O-] ZINC000351145233 284304822 /nfs/dbraw/zinc/30/48/22/284304822.db2.gz ZQHJTGPRLWLNQN-UHFFFAOYSA-N 1 0 314.345 1.816 20 5 DDBDRO C[C@H]1CN(CC[N@H+](C)CCc2cccc([N+](=O)[O-])c2)CCO1 ZINC000282538871 217072609 /nfs/dbraw/zinc/07/26/09/217072609.db2.gz VWWODLAKRZJBRA-AWEZNQCLSA-N 1 0 307.394 1.790 20 5 DDBDRO O=[N+]([O-])c1cccc(C[NH2+]CC2(OCCO)CCOCC2)c1 ZINC000282636287 217142157 /nfs/dbraw/zinc/14/21/57/217142157.db2.gz KBVNFOKJCHUXIJ-UHFFFAOYSA-N 1 0 310.350 1.243 20 5 DDBDRO C[N@H+](CCNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1)C1CC1 ZINC000288297543 220070523 /nfs/dbraw/zinc/07/05/23/220070523.db2.gz GZPBMYJIXFQALK-UHFFFAOYSA-N 1 0 303.322 1.750 20 5 DDBDRO CC[N@@H+]1CCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000288454409 220152161 /nfs/dbraw/zinc/15/21/61/220152161.db2.gz NYUSAFHNXIGABO-CYBMUJFWSA-N 1 0 320.393 1.584 20 5 DDBDRO [NH3+][C@H]1CCCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000195111494 248568773 /nfs/dbraw/zinc/56/87/73/248568773.db2.gz KKIMPTRJCVZWPD-NSHDSACASA-N 1 0 304.350 1.732 20 5 DDBDRO O=[N+]([O-])c1cccc(S(=O)(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000040740936 183127093 /nfs/dbraw/zinc/12/70/93/183127093.db2.gz ABYSFMDFYUMBAY-ZACCUICWSA-N 1 0 311.363 1.156 20 5 DDBDRO COCC1(C)C[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000337062356 249336148 /nfs/dbraw/zinc/33/61/48/249336148.db2.gz YEVKMPYDRZYFPA-UHFFFAOYSA-N 1 0 307.350 1.892 20 5 DDBDRO CNC(=O)C1CC[NH+](Cc2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000351977159 284682954 /nfs/dbraw/zinc/68/29/54/284682954.db2.gz FIQYAHWOLCLZRH-UHFFFAOYSA-N 1 0 307.350 1.561 20 5 DDBDRO CC(C)(C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1)n1cc([N+](=O)[O-])cn1 ZINC000338670297 250084287 /nfs/dbraw/zinc/08/42/87/250084287.db2.gz BQPFSPNPUCROKD-RYUDHWBXSA-N 1 0 321.381 1.269 20 5 DDBDRO [NH3+]C1(CNC(=O)COc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000159512146 197359363 /nfs/dbraw/zinc/35/93/63/197359363.db2.gz PHFCXPFQJSSLBJ-UHFFFAOYSA-N 1 0 307.350 1.751 20 5 DDBDRO C[C@@H](C[NH+](C)C)NC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000359657409 299508405 /nfs/dbraw/zinc/50/84/05/299508405.db2.gz GJLMSXVPTSEKHW-NSHDSACASA-N 1 0 322.365 1.449 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000285090696 218287420 /nfs/dbraw/zinc/28/74/20/218287420.db2.gz DMCBIJLQIVNOMV-GJZGRUSLSA-N 1 0 319.361 1.448 20 5 DDBDRO CC(C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)[NH+]1CCC(C)CC1 ZINC000285126424 218299797 /nfs/dbraw/zinc/29/97/97/218299797.db2.gz KQEJUEYFWMCEBY-CYBMUJFWSA-N 1 0 323.397 1.804 20 5 DDBDRO C[C@H]([NH2+]CC1(S(C)(=O)=O)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285140406 218307058 /nfs/dbraw/zinc/30/70/58/218307058.db2.gz LUPUZFQHWQQMLO-VIFPVBQESA-N 1 0 313.379 1.405 20 5 DDBDRO Cc1cccc(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])n1 ZINC000567581576 304227508 /nfs/dbraw/zinc/22/75/08/304227508.db2.gz IDASGXZUQXLDGM-AWEZNQCLSA-N 1 0 317.345 1.828 20 5 DDBDRO CC(C)NC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000056196722 184007112 /nfs/dbraw/zinc/00/71/12/184007112.db2.gz HFFCFZRIZQLSFV-QWRGUYRKSA-N 1 0 322.365 1.868 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@H](O)C[C@@H]1C ZINC000340925921 251281808 /nfs/dbraw/zinc/28/18/08/251281808.db2.gz IVVXCMIYBPCONN-WCQYABFASA-N 1 0 307.350 1.687 20 5 DDBDRO COc1cc(C(=O)N2CCC[C@H]([NH3+])C2)cc([N+](=O)[O-])c1OC ZINC000269118493 207254906 /nfs/dbraw/zinc/25/49/06/207254906.db2.gz QFYDSCGLZWIBNG-JTQLQIEISA-N 1 0 309.322 1.175 20 5 DDBDRO CO[C@@H]1COC[C@H]1[NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000567731266 304237954 /nfs/dbraw/zinc/23/79/54/304237954.db2.gz KZGHEZBDVRLOHY-TZMCWYRMSA-N 1 0 323.349 1.235 20 5 DDBDRO O=[N+]([O-])c1ccc(-c2noc(N3C[C@H]4CCC[C@@H](C3)[NH2+]4)n2)cc1 ZINC000420238627 285107512 /nfs/dbraw/zinc/10/75/12/285107512.db2.gz NSVLWVURBFZBHF-TXEJJXNPSA-N 1 0 315.333 1.976 20 5 DDBDRO C[C@@H](NC(=O)COc1cccc([N+](=O)[O-])c1)C1=CC[N@H+](C)CC1 ZINC000272995108 210376836 /nfs/dbraw/zinc/37/68/36/210376836.db2.gz QNZKCRPEPIBKFN-GFCCVEGCSA-N 1 0 319.361 1.740 20 5 DDBDRO C[NH+](C)[C@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])c1cccc(F)c1 ZINC000158952879 197313835 /nfs/dbraw/zinc/31/38/35/197313835.db2.gz NHKTZTMUXOCLBN-LLVKDONJSA-N 1 0 321.312 1.490 20 5 DDBDRO Cc1nn(CCC(=O)N[C@@H]2CCCC[C@H]2C[NH3+])c(C)c1[N+](=O)[O-] ZINC000158684391 197294121 /nfs/dbraw/zinc/29/41/21/197294121.db2.gz UHESEHSVXBUGNG-QWHCGFSZSA-N 1 0 323.397 1.432 20 5 DDBDRO C[C@@H](NC(=O)c1ccc(N)c([N+](=O)[O-])c1)C1=CC[N@H+](C)CC1 ZINC000272951045 210338958 /nfs/dbraw/zinc/33/89/58/210338958.db2.gz MRXDCBVLZAMSQC-SNVBAGLBSA-N 1 0 304.350 1.557 20 5 DDBDRO C[C@@H](C[NH+](C)C)Nc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000286503097 219023325 /nfs/dbraw/zinc/02/33/25/219023325.db2.gz SFXBHAJICVMLQA-VIFPVBQESA-N 1 0 301.368 1.360 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@]1(C)CCO[C@@H]1C ZINC000494237776 533138947 /nfs/dbraw/zinc/13/89/47/533138947.db2.gz MZHXHRJWLUZGTJ-MEBBXXQBSA-N 1 0 323.349 1.699 20 5 DDBDRO CN(CC(=O)NCC1CC[NH2+]CC1)c1ccccc1[N+](=O)[O-] ZINC000120558082 195190064 /nfs/dbraw/zinc/19/00/64/195190064.db2.gz NOPVTXOWDFLHJY-UHFFFAOYSA-N 1 0 306.366 1.147 20 5 DDBDRO COc1cc(C[N@H+](C)C[C@@H]2CCN(C(C)=O)C2)ccc1[N+](=O)[O-] ZINC000352765923 285285579 /nfs/dbraw/zinc/28/55/79/285285579.db2.gz APMYHTHAQWMQFV-AWEZNQCLSA-N 1 0 321.377 1.904 20 5 DDBDRO C[C@@H]1CSC[C@H]1[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000352802355 285311517 /nfs/dbraw/zinc/31/15/17/285311517.db2.gz VSHSRXUZPXOAAN-ZWNOBZJWSA-N 1 0 321.402 1.825 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCOC[C@H]1[C@@H](C)[NH3+] ZINC000422720924 533222655 /nfs/dbraw/zinc/22/26/55/533222655.db2.gz UFTMFVYNVCUXSD-DDTOSNHZSA-N 1 0 309.366 1.445 20 5 DDBDRO COCCC1(C)C[NH+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000289994062 221367008 /nfs/dbraw/zinc/36/70/08/221367008.db2.gz DMIOORWPVLEMKH-CYBMUJFWSA-N 1 0 324.377 1.693 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000414662652 533225678 /nfs/dbraw/zinc/22/56/78/533225678.db2.gz ZLWPSSNMCDJCBP-NXEZZACHSA-N 1 0 308.338 1.818 20 5 DDBDRO CC(C)[C@@](C)(CO)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000352889891 285364806 /nfs/dbraw/zinc/36/48/06/285364806.db2.gz BJWQTSTWTNALSR-IUODEOHRSA-N 1 0 312.366 1.331 20 5 DDBDRO C[C@@H](NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)[C@H](C)[NH3+] ZINC000449591457 533315261 /nfs/dbraw/zinc/31/52/61/533315261.db2.gz QMBNUUVMZSBXGI-VHSXEESVSA-N 1 0 303.322 1.246 20 5 DDBDRO C[C@H](NC(=O)N1CCO[C@@H](C[NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC000417127825 533593915 /nfs/dbraw/zinc/59/39/15/533593915.db2.gz HAFBFVVFLLUPKP-GWCFXTLKSA-N 1 0 308.338 1.025 20 5 DDBDRO CO[C@H](C[NH3+])CC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000568869306 304317409 /nfs/dbraw/zinc/31/74/09/304317409.db2.gz VWKVCRANVZTVIO-AWEZNQCLSA-N 1 0 307.350 1.450 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000353435267 285730252 /nfs/dbraw/zinc/73/02/52/285730252.db2.gz FFSYAIUEVIKCLU-OAHLLOKOSA-N 1 0 307.350 1.609 20 5 DDBDRO Cc1ccc(S(=O)(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000440833258 292183348 /nfs/dbraw/zinc/18/33/48/292183348.db2.gz NWEYRIULSOJAML-WDEREUQCSA-N 1 0 313.379 1.180 20 5 DDBDRO CN(CC(=O)NCC[NH+]1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000079559888 407058278 /nfs/dbraw/zinc/05/82/78/407058278.db2.gz CHISTGAARNWPHV-UHFFFAOYSA-N 1 0 320.393 1.633 20 5 DDBDRO CC(C)[N@H+](C)CC(=O)Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000103201166 407333864 /nfs/dbraw/zinc/33/38/64/407333864.db2.gz CIVVDHXMPXRLHJ-UHFFFAOYSA-N 1 0 318.337 1.659 20 5 DDBDRO CC[C@H]1CN(c2nc(C)ccc2[N+](=O)[O-])CC[N@@H+]1C[C@@H](C)O ZINC000124696811 407366069 /nfs/dbraw/zinc/36/60/69/407366069.db2.gz BQBKKBGKQQEUEE-OLZOCXBDSA-N 1 0 308.382 1.580 20 5 DDBDRO COc1ccc(C[NH2+][C@H](C)CC[S@@](C)=O)cc1[N+](=O)[O-] ZINC000125570387 407392103 /nfs/dbraw/zinc/39/21/03/407392103.db2.gz BBMJNFKHTOZSKP-SBKAZYGRSA-N 1 0 300.380 1.850 20 5 DDBDRO CC(C)(C)OC(=O)[C@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000178516321 407477394 /nfs/dbraw/zinc/47/73/94/407477394.db2.gz LMTDELSNMWZXOZ-NSHDSACASA-N 1 0 310.354 1.455 20 5 DDBDRO CNC(=O)CC[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000170793071 407508007 /nfs/dbraw/zinc/50/80/07/407508007.db2.gz JRXXNWSBBWIJQM-UHFFFAOYSA-N 1 0 322.365 1.300 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(CC[NH+](C)C)CC1 ZINC000195328848 407451755 /nfs/dbraw/zinc/45/17/55/407451755.db2.gz NEKRMUIDJUNUJN-UHFFFAOYSA-N 1 0 320.393 1.223 20 5 DDBDRO CNC(=O)[C@H]1CCCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000170911874 407551054 /nfs/dbraw/zinc/55/10/54/407551054.db2.gz YETBDWMJEPSBTE-OAHLLOKOSA-N 1 0 321.377 1.964 20 5 DDBDRO CCC[N@H+](CC)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000185885737 407531315 /nfs/dbraw/zinc/53/13/15/407531315.db2.gz LQAULHNAXRYHKB-UHFFFAOYSA-N 1 0 315.395 1.605 20 5 DDBDRO C[C@H]([NH3+])CCNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000178658989 407534896 /nfs/dbraw/zinc/53/48/96/407534896.db2.gz XSNZBXHQQLTCGX-ZETCQYMHSA-N 1 0 316.155 1.824 20 5 DDBDRO COC(=O)[C@@H](C)C[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000114063540 407539031 /nfs/dbraw/zinc/53/90/31/407539031.db2.gz BYOAASGWJBPKBY-NSHDSACASA-N 1 0 323.349 1.664 20 5 DDBDRO Cc1nn(CCc2nc(C3([NH3+])CCC3)no2)c(C)c1[N+](=O)[O-] ZINC000261610987 407549866 /nfs/dbraw/zinc/54/98/66/407549866.db2.gz ATEAHDFFYHVQNS-UHFFFAOYSA-N 1 0 306.326 1.372 20 5 DDBDRO C[C@H]1OCC[C@]1(O)C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000227967183 407641489 /nfs/dbraw/zinc/64/14/89/407641489.db2.gz YPDSZAHGVXLCRD-RNCFNFMXSA-N 1 0 300.742 1.878 20 5 DDBDRO C[NH2+]CC1CCN(C(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000152252920 407593843 /nfs/dbraw/zinc/59/38/43/407593843.db2.gz CQANJNHLSLKSSC-UHFFFAOYSA-N 1 0 307.350 1.432 20 5 DDBDRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000271402694 407670129 /nfs/dbraw/zinc/67/01/29/407670129.db2.gz NANHRORKSIHYQU-NSHDSACASA-N 1 0 311.386 1.569 20 5 DDBDRO CN1CCO[C@@H]2CN(C(=O)/C=C/c3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000152718452 407675273 /nfs/dbraw/zinc/67/52/73/407675273.db2.gz KMNUZBJERFMJJJ-MFHOCJEASA-N 1 0 317.345 1.149 20 5 DDBDRO CNC(=O)NC(=O)CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130372105 407680304 /nfs/dbraw/zinc/68/03/04/407680304.db2.gz WGIRARKUCDBKMS-UHFFFAOYSA-N 1 0 320.349 1.405 20 5 DDBDRO COc1ccc(OCC[NH2+]C2(CO)CCCC2)c([N+](=O)[O-])c1 ZINC000179063839 407709679 /nfs/dbraw/zinc/70/96/79/407709679.db2.gz MNCMMQLUBBUEIT-UHFFFAOYSA-N 1 0 310.350 1.877 20 5 DDBDRO CCOc1ccc(C(=O)N2CCC([NH2+]C)CC2)cc1[N+](=O)[O-] ZINC000179138344 407735205 /nfs/dbraw/zinc/73/52/05/407735205.db2.gz YCMLOJXCGXZWSV-UHFFFAOYSA-N 1 0 307.350 1.818 20 5 DDBDRO CCc1n[nH]c(C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000171803846 407770070 /nfs/dbraw/zinc/77/00/70/407770070.db2.gz PSTLOWSBRHJFBF-SNVBAGLBSA-N 1 0 309.370 1.342 20 5 DDBDRO C[NH2+]CC(=O)N[C@@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] ZINC000237256965 407807125 /nfs/dbraw/zinc/80/71/25/407807125.db2.gz ZGHQIHKEEKOSAT-LBPRGKRZSA-N 1 0 323.349 1.313 20 5 DDBDRO C[C@@H]1CN(C(=O)CCNc2ccccc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000153363176 407809069 /nfs/dbraw/zinc/80/90/69/407809069.db2.gz UEAPTIYWSOBOJT-TXEJJXNPSA-N 1 0 306.366 1.606 20 5 DDBDRO [NH3+][C@@H]1CCC[C@@H](C(=O)NCCNc2ccccc2[N+](=O)[O-])C1 ZINC000237968513 407861503 /nfs/dbraw/zinc/86/15/03/407861503.db2.gz FENAPUVBPDBVKL-VXGBXAGGSA-N 1 0 306.366 1.640 20 5 DDBDRO COc1cc(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000153771356 407898437 /nfs/dbraw/zinc/89/84/37/407898437.db2.gz BNUXUKCAWKBFNT-GFCCVEGCSA-N 1 0 307.350 1.770 20 5 DDBDRO COC[C@]1(C(=O)NCc2cccc([N+](=O)[O-])c2C)CC[NH2+]C1 ZINC000262498937 407850739 /nfs/dbraw/zinc/85/07/39/407850739.db2.gz LSQJXAUEQCFTHQ-HNNXBMFYSA-N 1 0 307.350 1.146 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H]([C@H](C)O)C1 ZINC000272527318 407966438 /nfs/dbraw/zinc/96/64/38/407966438.db2.gz IAQOFUNTCFSODX-QWHCGFSZSA-N 1 0 321.377 1.935 20 5 DDBDRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000262777579 407928045 /nfs/dbraw/zinc/92/80/45/407928045.db2.gz WZBHDTLKYRKQTK-VXGBXAGGSA-N 1 0 307.350 1.702 20 5 DDBDRO C[C@@H](O)C[N@@H+]1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000189571682 408053343 /nfs/dbraw/zinc/05/33/43/408053343.db2.gz IGDURHQZAHBJBW-ZENOOKHLSA-N 1 0 323.393 1.015 20 5 DDBDRO C[C@@H]1C[C@@H](N(C)C(=O)c2c(N)cccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000272570091 407987907 /nfs/dbraw/zinc/98/79/07/407987907.db2.gz CWQLOFHNJHPERV-MNOVXSKESA-N 1 0 306.366 1.732 20 5 DDBDRO COc1ccc(NC(=O)NC[C@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000272865604 408013873 /nfs/dbraw/zinc/01/38/73/408013873.db2.gz SVGSUJZWFBCGHL-LLVKDONJSA-N 1 0 308.338 1.819 20 5 DDBDRO C[C@H]1C[NH+](C)C[C@H](C)N1C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000155144540 408130995 /nfs/dbraw/zinc/13/09/95/408130995.db2.gz JYARAQKLTALJQB-QWRGUYRKSA-N 1 0 309.341 1.827 20 5 DDBDRO COc1ccc([C@H](CCO)[NH2+]CCn2ccc([N+](=O)[O-])n2)cc1 ZINC000182379635 408141956 /nfs/dbraw/zinc/14/19/56/408141956.db2.gz BTRHZBLOFSEAKJ-AWEZNQCLSA-N 1 0 320.349 1.513 20 5 DDBDRO COC(=O)C1CC[NH+](CCCNc2ncc([N+](=O)[O-])cn2)CC1 ZINC000273556684 408243088 /nfs/dbraw/zinc/24/30/88/408243088.db2.gz AYCAVRODCNRPQD-UHFFFAOYSA-N 1 0 323.353 1.072 20 5 DDBDRO Cc1ccc(C(=O)NC[C@@H](C)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000263796481 408263183 /nfs/dbraw/zinc/26/31/83/408263183.db2.gz RUNYDTLUXVNNIJ-CYBMUJFWSA-N 1 0 320.393 1.269 20 5 DDBDRO CC[C@@H]1CN(c2ccc([N+](=O)[O-])c(C)n2)CC[N@@H+]1CCOC ZINC000150768368 408197467 /nfs/dbraw/zinc/19/74/67/408197467.db2.gz ONSMJZDDWHBYTP-CYBMUJFWSA-N 1 0 308.382 1.845 20 5 DDBDRO O=[N+]([O-])c1ccn(CCN2CCC[C@H]2C[NH+]2CCCCC2)n1 ZINC000176228170 408317165 /nfs/dbraw/zinc/31/71/65/408317165.db2.gz OBZYFPNDNGRSTQ-AWEZNQCLSA-N 1 0 307.398 1.742 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000269390666 408291132 /nfs/dbraw/zinc/29/11/32/408291132.db2.gz RHAFSSABJVZSFO-QWRGUYRKSA-N 1 0 321.381 1.798 20 5 DDBDRO C[NH+](C)[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000133510427 162060571 /nfs/dbraw/zinc/06/05/71/162060571.db2.gz JIANHMYYDYICKU-AWEZNQCLSA-N 1 0 309.341 1.733 20 5 DDBDRO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000246810226 408344790 /nfs/dbraw/zinc/34/47/90/408344790.db2.gz DGQAWKPSBNGHOA-CMPLNLGQSA-N 1 0 306.366 1.636 20 5 DDBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000247318435 408448873 /nfs/dbraw/zinc/44/88/73/408448873.db2.gz SCUBNYFGNCYQMZ-GXTWGEPZSA-N 1 0 321.381 1.124 20 5 DDBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000247285283 408444572 /nfs/dbraw/zinc/44/45/72/408444572.db2.gz GDPPBWZYJCQJLZ-TZMCWYRMSA-N 1 0 320.393 1.805 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000264424058 408484363 /nfs/dbraw/zinc/48/43/63/408484363.db2.gz KVMXWLAYWADXIH-CYBMUJFWSA-N 1 0 320.393 1.269 20 5 DDBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000176962899 408484722 /nfs/dbraw/zinc/48/47/22/408484722.db2.gz NNKANWZMAPSQKZ-LBPRGKRZSA-N 1 0 320.393 1.981 20 5 DDBDRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000176989644 408491477 /nfs/dbraw/zinc/49/14/77/408491477.db2.gz QMPVBLWYBQFYSK-CMPLNLGQSA-N 1 0 304.350 1.486 20 5 DDBDRO Nc1c(F)c(N2CC[C@H](C[NH+]3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000274711465 408504623 /nfs/dbraw/zinc/50/46/23/408504623.db2.gz YCQYRLBYYREXOR-LLVKDONJSA-N 1 0 324.356 1.475 20 5 DDBDRO C[C@H](CN1CC[NH+](C)CC1)Nc1ccc([N+](=O)[O-])c2nonc21 ZINC000264387798 408472065 /nfs/dbraw/zinc/47/20/65/408472065.db2.gz JZGVFCYTJFYWDT-SNVBAGLBSA-N 1 0 320.353 1.179 20 5 DDBDRO CC[NH2+]CC1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000161077061 408556813 /nfs/dbraw/zinc/55/68/13/408556813.db2.gz CWFPTNYZFZJTRE-UHFFFAOYSA-N 1 0 324.356 1.778 20 5 DDBDRO C[NH2+]C[C@H]1CCCN1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000161298503 408584288 /nfs/dbraw/zinc/58/42/88/408584288.db2.gz RHZTVWBSBWDACI-GFCCVEGCSA-N 1 0 309.391 1.897 20 5 DDBDRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000184337346 408592753 /nfs/dbraw/zinc/59/27/53/408592753.db2.gz VVLCBWAAEWLYBX-CYBMUJFWSA-N 1 0 320.393 1.351 20 5 DDBDRO CC(C)[N@H+]1C[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)[C@@H](C)C1 ZINC000161369147 408594984 /nfs/dbraw/zinc/59/49/84/408594984.db2.gz AHUMEXGWCLDOTE-CABZTGNLSA-N 1 0 324.356 1.775 20 5 DDBDRO CC(C)[N@H+]1C[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000161401027 408597950 /nfs/dbraw/zinc/59/79/50/408597950.db2.gz BPZHPKOFDGUVHB-WFASDCNBSA-N 1 0 305.378 1.982 20 5 DDBDRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000193558643 408727505 /nfs/dbraw/zinc/72/75/05/408727505.db2.gz WKGPLULPBKGMAC-KWQFWETISA-N 1 0 303.322 1.341 20 5 DDBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)[C@H]1C[C@H](F)C[NH2+]1 ZINC000275837103 408691439 /nfs/dbraw/zinc/69/14/39/408691439.db2.gz YUDNUAYCXTXJJW-GZMMTYOYSA-N 1 0 301.705 1.564 20 5 DDBDRO NC(=O)[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000184842456 408702764 /nfs/dbraw/zinc/70/27/64/408702764.db2.gz XNRNVBAXEMRIKI-WDEREUQCSA-N 1 0 320.349 1.167 20 5 DDBDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000270929680 408746492 /nfs/dbraw/zinc/74/64/92/408746492.db2.gz DYGWHWRHOCJMIW-GFCCVEGCSA-N 1 0 323.397 1.713 20 5 DDBDRO [NH3+][C@H]1CC[C@@H]2CN(C(=O)CNc3ccccc3[N+](=O)[O-])C[C@@H]12 ZINC000185148764 408770085 /nfs/dbraw/zinc/77/00/85/408770085.db2.gz QPEQOQVFNOSDTI-UTUOFQBUSA-N 1 0 304.350 1.202 20 5 DDBDRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)CCNc3ccccc3[N+](=O)[O-])C[C@@H]12 ZINC000185199044 408778051 /nfs/dbraw/zinc/77/80/51/408778051.db2.gz JYABGXHQPBDKPN-YNEHKIRRSA-N 1 0 318.377 1.593 20 5 DDBDRO C[C@H]1C[C@H](Nc2ccc(C(N)=O)cc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000290840047 408842712 /nfs/dbraw/zinc/84/27/12/408842712.db2.gz VQPLXSDNOHAHHA-ONGXEEELSA-N 1 0 304.350 1.731 20 5 DDBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H]1CCC[N@@H+]1CCOC ZINC000192561851 163226966 /nfs/dbraw/zinc/22/69/66/163226966.db2.gz QJLYZYOFXGIEJS-LBPRGKRZSA-N 1 0 311.386 1.642 20 5 DDBDRO CCn1nc(C)c([N+](=O)[O-])c1N[C@H](C)CN1CC[NH+](C)CC1 ZINC000192577375 163228322 /nfs/dbraw/zinc/22/83/22/163228322.db2.gz QJCROVGMNTWRPV-LLVKDONJSA-N 1 0 310.402 1.167 20 5 DDBDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000277390322 408932409 /nfs/dbraw/zinc/93/24/09/408932409.db2.gz XJZFSPGWBQIDMN-LLVKDONJSA-N 1 0 306.366 1.733 20 5 DDBDRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000277743599 409003447 /nfs/dbraw/zinc/00/34/47/409003447.db2.gz YHHUWGIOAXKKNV-ZWNOBZJWSA-N 1 0 306.366 1.389 20 5 DDBDRO CN(C(=O)CCn1cc([N+](=O)[O-])cn1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000286267840 408951940 /nfs/dbraw/zinc/95/19/40/408951940.db2.gz QKDCAXKDCYOGTP-FUNVUKJBSA-N 1 0 321.381 1.265 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N(C)C1CC[NH+](C)CC1 ZINC000277586816 408971842 /nfs/dbraw/zinc/97/18/42/408971842.db2.gz MUWZAFSEEWSZNU-UHFFFAOYSA-N 1 0 307.350 1.770 20 5 DDBDRO CN1CC[N@H+](C)[C@H](CNc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000278156556 409074629 /nfs/dbraw/zinc/07/46/29/409074629.db2.gz AACLIJJOPTYDTL-LLVKDONJSA-N 1 0 304.354 1.129 20 5 DDBDRO C[C@H](Cn1cccn1)[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000278928095 409114779 /nfs/dbraw/zinc/11/47/79/409114779.db2.gz VTHUELPFHVVWKK-SNVBAGLBSA-N 1 0 305.294 1.878 20 5 DDBDRO C[C@@H]([NH2+]CCN1CCSCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293670317 409158378 /nfs/dbraw/zinc/15/83/78/409158378.db2.gz JSRAGUSUXOTQFV-LLVKDONJSA-N 1 0 310.423 1.876 20 5 DDBDRO C[N@H+]1C[C@H]2CN(C(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)C[C@H]2C1 ZINC000279200783 409169288 /nfs/dbraw/zinc/16/92/88/409169288.db2.gz LPBVETQNLUROHC-PHIMTYICSA-N 1 0 314.345 1.710 20 5 DDBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C)C[NH+](C)C ZINC000293788054 409180450 /nfs/dbraw/zinc/18/04/50/409180450.db2.gz OMZUGGIIKYMIIY-LLVKDONJSA-N 1 0 308.382 1.588 20 5 DDBDRO C[C@@H]([NH2+][C@@H](C)CN1CCCC1=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283956065 409247320 /nfs/dbraw/zinc/24/73/20/409247320.db2.gz FZQABULFEJUJLI-WDEREUQCSA-N 1 0 306.366 1.839 20 5 DDBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)Cc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000262360995 163813782 /nfs/dbraw/zinc/81/37/82/163813782.db2.gz WKIQAJVFMBZLIS-MELADBBJSA-N 1 0 303.362 1.723 20 5 DDBDRO C[C@H]1C[NH2+]CC[C@H]1NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000262808387 163881045 /nfs/dbraw/zinc/88/10/45/163881045.db2.gz XLJUSXMCDGCPNC-GXFFZTMASA-N 1 0 313.379 1.012 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NCCC[N@@H+](C)CCN(C)C ZINC000290239153 409332826 /nfs/dbraw/zinc/33/28/26/409332826.db2.gz WQOOKQQSKWUQIP-UHFFFAOYSA-N 1 0 322.409 1.517 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2CC[N@H+](C)[C@H](C)C2)n1 ZINC000319187112 164034915 /nfs/dbraw/zinc/03/49/15/164034915.db2.gz OSBAEQIEXGKSQB-ZJUUUORDSA-N 1 0 308.338 1.671 20 5 DDBDRO C[NH+](C)[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1 ZINC000374832005 164174470 /nfs/dbraw/zinc/17/44/70/164174470.db2.gz FNRRTWDLZRKTEY-JTQLQIEISA-N 1 0 324.356 1.872 20 5 DDBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](O)[C@H]1CCOC1 ZINC000344832692 409527491 /nfs/dbraw/zinc/52/74/91/409527491.db2.gz SQTAXGLOOOAEGJ-CMIZMYSDSA-N 1 0 306.362 1.985 20 5 DDBDRO [NH3+]CCN(Cc1cnc2cnccn12)c1ccccc1[N+](=O)[O-] ZINC000348905557 409579412 /nfs/dbraw/zinc/57/94/12/409579412.db2.gz RHKOJHQQBKUAQL-UHFFFAOYSA-N 1 0 312.333 1.603 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)n1 ZINC000331584526 409662228 /nfs/dbraw/zinc/66/22/28/409662228.db2.gz MXTZUVSNLJZRQY-VXGBXAGGSA-N 1 0 321.381 1.510 20 5 DDBDRO C[C@@H]1CN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@H]1[NH+](C)C ZINC000332060790 409844655 /nfs/dbraw/zinc/84/46/55/409844655.db2.gz PZCYNWJRVLFOST-IAQYHMDHSA-N 1 0 321.377 1.843 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[N@@H+](C)[C@H](C)[C@H]1C ZINC000357029286 409806342 /nfs/dbraw/zinc/80/63/42/409806342.db2.gz CSFDTOJKCUYDAP-CHWSQXEVSA-N 1 0 320.393 1.866 20 5 DDBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC(=O)N(C)C2=O)cc1[N+](=O)[O-] ZINC000316413797 409854507 /nfs/dbraw/zinc/85/45/07/409854507.db2.gz YRIXETXHYNUMCN-CMPLNLGQSA-N 1 0 305.334 1.701 20 5 DDBDRO C[N@@H+]1CC[C@]2(CCN(C(=O)C(C)(C)n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000346263208 409891858 /nfs/dbraw/zinc/89/18/58/409891858.db2.gz BXJPKZALBQTUPV-HNNXBMFYSA-N 1 0 321.381 1.081 20 5 DDBDRO C[C@H]1[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCCN1C ZINC000354548071 409930964 /nfs/dbraw/zinc/93/09/64/409930964.db2.gz RRUWPZCROHOOCK-GWCFXTLKSA-N 1 0 313.379 1.356 20 5 DDBDRO Cc1n[nH]c(C(=O)N(CCC[NH3+])CC2CCCC2)c1[N+](=O)[O-] ZINC000357383470 410003645 /nfs/dbraw/zinc/00/36/45/410003645.db2.gz UZIUDNHONDOXPH-UHFFFAOYSA-N 1 0 309.370 1.608 20 5 DDBDRO COC(=O)c1cnc(N[C@H]2CC[N@H+](C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000357701780 410195935 /nfs/dbraw/zinc/19/59/35/410195935.db2.gz XSIILHYNWIWGGS-ONGXEEELSA-N 1 0 308.338 1.671 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@H](O)[C@@H](C)C1 ZINC000351787262 410235160 /nfs/dbraw/zinc/23/51/60/410235160.db2.gz YTGXOEZMEGSNIZ-FZMZJTMJSA-N 1 0 307.350 1.544 20 5 DDBDRO Cn1nc([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1CCCC(C)(C)C1 ZINC000347427552 410540373 /nfs/dbraw/zinc/54/03/73/410540373.db2.gz JCBJJTBWLTZEPY-UHFFFAOYSA-N 1 0 309.370 1.180 20 5 DDBDRO CC[C@@]1(C(=O)NCc2cc([N+](=O)[O-])ccc2OC)CCC[NH2+]1 ZINC000343832775 410734458 /nfs/dbraw/zinc/73/44/58/410734458.db2.gz PRTHTMNYPRSJHK-HNNXBMFYSA-N 1 0 307.350 1.752 20 5 DDBDRO COc1cc(NCCN2CC[NH+](C)CC2)c([N+](=O)[O-])cc1F ZINC000343852889 410751458 /nfs/dbraw/zinc/75/14/58/410751458.db2.gz QWDGATMNVLHYGU-UHFFFAOYSA-N 1 0 312.345 1.402 20 5 DDBDRO CC[N@@H+]1C[C@@H](C)N(CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000330569425 410784559 /nfs/dbraw/zinc/78/45/59/410784559.db2.gz MCUIDYLCPHOQLE-CHWSQXEVSA-N 1 0 320.393 1.948 20 5 DDBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2cc([N+](=O)[O-])nn2C)C1 ZINC000356150763 410863166 /nfs/dbraw/zinc/86/31/66/410863166.db2.gz PGIOBODAWGKLCG-VXGBXAGGSA-N 1 0 323.397 1.426 20 5 DDBDRO Cc1nn(CCC(=O)N2C[C@H](C)[N@@H+](C)C[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000330605533 410821657 /nfs/dbraw/zinc/82/16/57/410821657.db2.gz ZDVYNUWHKZJQQQ-WDEREUQCSA-N 1 0 323.397 1.349 20 5 DDBDRO C[NH+](C)CC1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC1 ZINC000331062092 410923936 /nfs/dbraw/zinc/92/39/36/410923936.db2.gz CMRYCILLQFVDBM-UHFFFAOYSA-N 1 0 308.338 1.109 20 5 DDBDRO C[NH+](C)CCN(C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000356285898 410943637 /nfs/dbraw/zinc/94/36/37/410943637.db2.gz XAGAHXJBQCHIAN-UHFFFAOYSA-N 1 0 317.349 1.637 20 5 DDBDRO Cc1cc(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)c(N)c([N+](=O)[O-])c1 ZINC000129471488 196051547 /nfs/dbraw/zinc/05/15/47/196051547.db2.gz RMXWOMRTXOGWGL-ZACCUICWSA-N 1 0 304.350 1.498 20 5 DDBDRO [NH3+]C[C@@H]1CCCCN1C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000131048734 196135287 /nfs/dbraw/zinc/13/52/87/196135287.db2.gz IMTCMFCLLAREIA-JTQLQIEISA-N 1 0 311.313 1.453 20 5 DDBDRO C[NH+](C)CCNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000131231061 196152488 /nfs/dbraw/zinc/15/24/88/196152488.db2.gz QMWQTLRMDQFNPM-UHFFFAOYSA-N 1 0 307.759 1.088 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CCCN1CCOCC1)CC2 ZINC000131399829 196164758 /nfs/dbraw/zinc/16/47/58/196164758.db2.gz BOZPAEUFRTXJBN-UHFFFAOYSA-N 1 0 305.378 1.675 20 5 DDBDRO CNc1nccc(C(=O)NC[C@H](C2CC2)[NH+](C)C)c1[N+](=O)[O-] ZINC000516978191 416766425 /nfs/dbraw/zinc/76/64/25/416766425.db2.gz ASMUAOINTVPNBT-LLVKDONJSA-N 1 0 307.354 1.102 20 5 DDBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@H](C)[C@H](C)CO)cccc1[N+](=O)[O-] ZINC000295865126 225325459 /nfs/dbraw/zinc/32/54/59/225325459.db2.gz YNAJFPUBUHREQJ-JLLWLGSASA-N 1 0 309.366 1.837 20 5 DDBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCC[NH2+]C1 ZINC000417724394 225412944 /nfs/dbraw/zinc/41/29/44/225412944.db2.gz YNXORSSSCQKOBH-CQSZACIVSA-N 1 0 320.393 1.969 20 5 DDBDRO [NH3+]C[C@H]1CC[C@@H](NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000418767590 225905300 /nfs/dbraw/zinc/90/53/00/225905300.db2.gz ODEBOIRZUCNIIN-SMDDNHRTSA-N 1 0 318.377 1.790 20 5 DDBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360561808 418465110 /nfs/dbraw/zinc/46/51/10/418465110.db2.gz KDHLEFXSBTVQEX-BLLLJJGKSA-N 1 0 318.377 1.607 20 5 DDBDRO CCOc1cc(CN2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000373913784 418472449 /nfs/dbraw/zinc/47/24/49/418472449.db2.gz VTLVLLAMHVAYOQ-OKILXGFUSA-N 1 0 305.378 1.987 20 5 DDBDRO C[NH+](C)CCCOC1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000360870634 418537290 /nfs/dbraw/zinc/53/72/90/418537290.db2.gz HKJOLRGHZMXUEG-UHFFFAOYSA-N 1 0 324.381 1.496 20 5 DDBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000366961111 418543864 /nfs/dbraw/zinc/54/38/64/418543864.db2.gz IJBNJSABGOOQEQ-QWRGUYRKSA-N 1 0 311.313 1.132 20 5 DDBDRO CCCC[NH+]1CCC(NC(=O)c2nn(CC)cc2[N+](=O)[O-])CC1 ZINC000191809302 222109661 /nfs/dbraw/zinc/10/96/61/222109661.db2.gz DYMLOEVADNONRE-UHFFFAOYSA-N 1 0 323.397 1.806 20 5 DDBDRO Cc1cc(C(=O)N2CC[C@]3(CCC[C@H]3[NH3+])C2)c(N)c([N+](=O)[O-])c1 ZINC000375458999 418642400 /nfs/dbraw/zinc/64/24/00/418642400.db2.gz RXCADTMYOXMLAJ-CZUORRHYSA-N 1 0 318.377 1.829 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H]2C(=O)NC[C@H]2C1 ZINC000368232016 418707382 /nfs/dbraw/zinc/70/73/82/418707382.db2.gz YVSRPARRAMNZRF-WCQYABFASA-N 1 0 305.334 1.171 20 5 DDBDRO C[C@H](CO)[N@@H+]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000375512041 418651999 /nfs/dbraw/zinc/65/19/99/418651999.db2.gz QWDJTWBJORIMIZ-GFCCVEGCSA-N 1 0 322.365 1.515 20 5 DDBDRO CCOc1cc(C[N@@H+]2CC[C@@H]3C(=O)NC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000368063182 418683019 /nfs/dbraw/zinc/68/30/19/418683019.db2.gz MLSLBHXJOMLPQM-OLZOCXBDSA-N 1 0 319.361 1.561 20 5 DDBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@H]1C[C@@H]1[N+](=O)[O-] ZINC000368133900 418694365 /nfs/dbraw/zinc/69/43/65/418694365.db2.gz IDLDZDDNNXPULU-UNQGMJICSA-N 1 0 303.362 1.288 20 5 DDBDRO Cc1c(Cl)cc(S(=O)(=O)N[C@H](C)[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000381489053 418729275 /nfs/dbraw/zinc/72/92/75/418729275.db2.gz PRAZRNUQEHFCEM-JGVFFNPUSA-N 1 0 321.786 1.571 20 5 DDBDRO Cc1ccc(NC(=O)c2cn(CCC[NH3+])nn2)cc1[N+](=O)[O-] ZINC000422906531 227253252 /nfs/dbraw/zinc/25/32/52/227253252.db2.gz KCGKCUHUYQUHSZ-UHFFFAOYSA-N 1 0 304.310 1.096 20 5 DDBDRO C[C@@H]1CC[S@@](=O)CCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000365477779 418866387 /nfs/dbraw/zinc/86/63/87/418866387.db2.gz RBDVPGUKSYPYJM-HQHPYACNSA-N 1 0 312.391 1.471 20 5 DDBDRO C[NH+]1CCC(Oc2ccc(NC(=O)[C@@H]3CC3[N+](=O)[O-])cn2)CC1 ZINC000372212493 418845533 /nfs/dbraw/zinc/84/55/33/418845533.db2.gz ZREJWWHQHYLMBE-OLZOCXBDSA-N 1 0 320.349 1.158 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N[C@@H](C)C[NH+](C)C ZINC000411535426 418912558 /nfs/dbraw/zinc/91/25/58/418912558.db2.gz QGRWNEFQMJLAPP-NSHDSACASA-N 1 0 322.365 1.216 20 5 DDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@](O)(C2CC2)C1 ZINC000365840936 418914960 /nfs/dbraw/zinc/91/49/60/418914960.db2.gz XBJOLLCGFALCMQ-BZNIZROVSA-N 1 0 319.361 1.769 20 5 DDBDRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000417949507 419410898 /nfs/dbraw/zinc/41/08/98/419410898.db2.gz VAMDBSARDYWSHA-CHWSQXEVSA-N 1 0 306.366 1.564 20 5 DDBDRO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H]2CCO)c2c(c1)COCO2 ZINC000426230923 419411487 /nfs/dbraw/zinc/41/14/87/419411487.db2.gz NXMYATSCNFTSJK-ZDUSSCGKSA-N 1 0 308.334 1.808 20 5 DDBDRO C[C@@H]1[C@H](O)CCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411798510 419415976 /nfs/dbraw/zinc/41/59/76/419415976.db2.gz LWDWIJFFQCGZBQ-BXUZGUMPSA-N 1 0 307.350 1.769 20 5 DDBDRO COC(=O)[C@H]1CN([C@@H](C)c2ccccc2[N+](=O)[O-])CC[N@H+](C)C1 ZINC000411912325 419479799 /nfs/dbraw/zinc/47/97/99/419479799.db2.gz VGKZXMDOVOWJLI-QWHCGFSZSA-N 1 0 321.377 1.692 20 5 DDBDRO COC(=O)[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2)CC[N@H+](C)C1 ZINC000411915480 419484843 /nfs/dbraw/zinc/48/48/43/419484843.db2.gz ZHEDROKJBCKGPO-ZDUSSCGKSA-N 1 0 307.350 1.131 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)C[C@@H]1CCC[N@@H+]1C ZINC000421000787 419433413 /nfs/dbraw/zinc/43/34/13/419433413.db2.gz KNIQYJOOQUCFOE-AWEZNQCLSA-N 1 0 320.393 1.868 20 5 DDBDRO CN(C[C@H](O)COc1ccccc1[N+](=O)[O-])C[C@@H]1CCC[N@@H+]1C ZINC000421011085 419443844 /nfs/dbraw/zinc/44/38/44/419443844.db2.gz RSQCCCUXZSVORW-KBPBESRZSA-N 1 0 323.393 1.361 20 5 DDBDRO Cc1c(CNC(=O)N2CC[NH2+]C(C)(C)C2)cccc1[N+](=O)[O-] ZINC000418083449 419521167 /nfs/dbraw/zinc/52/11/67/419521167.db2.gz RZQRGEHGWLTSKF-UHFFFAOYSA-N 1 0 306.366 1.797 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1CN1C[C@H](C)[N@@H+](CCO)C[C@H]1C ZINC000418122953 419555132 /nfs/dbraw/zinc/55/51/32/419555132.db2.gz YGKIXUWHGVKXNG-UONOGXRCSA-N 1 0 307.394 1.790 20 5 DDBDRO Cc1c(CNC(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)cccc1[N+](=O)[O-] ZINC000418077336 419513128 /nfs/dbraw/zinc/51/31/28/419513128.db2.gz HPUFCNUQTHVHSU-GHMZBOCLSA-N 1 0 306.366 1.795 20 5 DDBDRO CN(C)C(=O)[C@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000411946400 419515375 /nfs/dbraw/zinc/51/53/75/419515375.db2.gz SKMHUWOCPHSOQE-LBPRGKRZSA-N 1 0 307.350 1.384 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N(C)CC[NH+]1CCCC1 ZINC000426939700 419572353 /nfs/dbraw/zinc/57/23/53/419572353.db2.gz HWCYJQOWGKOPLQ-UHFFFAOYSA-N 1 0 307.350 1.771 20 5 DDBDRO Cc1nnc([C@H]2CC[N@H+](CCOc3cccc([N+](=O)[O-])c3)C2)[nH]1 ZINC000412029360 419577439 /nfs/dbraw/zinc/57/74/39/419577439.db2.gz OJHPQCWEVCCEIK-LBPRGKRZSA-N 1 0 317.349 1.890 20 5 DDBDRO COc1ccc(OCC[N@H+]2C[C@H](O)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000412039585 419582591 /nfs/dbraw/zinc/58/25/91/419582591.db2.gz PZPKGFHNALMULA-NWDGAFQWSA-N 1 0 310.350 1.685 20 5 DDBDRO CC[N@H+](CCNC(=O)c1ccc([N+](=O)[O-])[nH]1)CCC(F)(F)F ZINC000427226983 419621702 /nfs/dbraw/zinc/62/17/02/419621702.db2.gz VLVFYKNPHBGCJO-UHFFFAOYSA-N 1 0 322.287 1.927 20 5 DDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000428035779 419797797 /nfs/dbraw/zinc/79/77/97/419797797.db2.gz VWWQWKZXIGQVRL-LALPHHSUSA-N 1 0 318.377 1.606 20 5 DDBDRO C[C@H](CNC(=O)c1ccc(N)c([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC000299283529 229027904 /nfs/dbraw/zinc/02/79/04/229027904.db2.gz MYIUUGDQIJRNEP-LLVKDONJSA-N 1 0 306.366 1.639 20 5 DDBDRO Cc1ccc(NCCCNC(=O)C2(C)C[NH2+]C2)c([N+](=O)[O-])c1 ZINC000423212588 419986902 /nfs/dbraw/zinc/98/69/02/419986902.db2.gz IKOJRPCWKMNLPP-UHFFFAOYSA-N 1 0 306.366 1.431 20 5 DDBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](CN)C1CC1 ZINC000423282136 420000899 /nfs/dbraw/zinc/00/08/99/420000899.db2.gz UZEDRKKAKSXGPY-YGRLFVJLSA-N 1 0 306.366 1.639 20 5 DDBDRO [NH3+]CC1(CC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000423348189 420022791 /nfs/dbraw/zinc/02/27/91/420022791.db2.gz SEOHLTCRTNMVRT-UHFFFAOYSA-N 1 0 318.377 1.372 20 5 DDBDRO C[C@H]([NH3+])[C@H](C)N[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000423457882 420055505 /nfs/dbraw/zinc/05/55/05/420055505.db2.gz GHIXHQJDIRQJIG-COPLHBTASA-N 1 0 303.366 1.743 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000415514157 420096801 /nfs/dbraw/zinc/09/68/01/420096801.db2.gz BPTNQYSFXCJZKW-GHMZBOCLSA-N 1 0 320.349 1.037 20 5 DDBDRO CN(Cc1nc(C(C)(C)[NH3+])no1)Cc1ccccc1[N+](=O)[O-] ZINC000430548725 420133239 /nfs/dbraw/zinc/13/32/39/420133239.db2.gz HFUVEFBXDMDDLE-UHFFFAOYSA-N 1 0 305.338 1.804 20 5 DDBDRO COc1ccc(NC(=O)N[C@@H]2CC[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC000415447146 420070866 /nfs/dbraw/zinc/07/08/66/420070866.db2.gz UDUXHLREVJLTTC-MWLCHTKSSA-N 1 0 308.338 1.723 20 5 DDBDRO C[NH2+]C[C@@H]1CCCN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000430564813 420141313 /nfs/dbraw/zinc/14/13/13/420141313.db2.gz NFQVLCSCBIRMKO-AWEZNQCLSA-N 1 0 306.366 1.241 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H](C(N)=O)CC[C@@H]1C ZINC000430226202 420091771 /nfs/dbraw/zinc/09/17/71/420091771.db2.gz MSQGDHJVRYWODF-CMPLNLGQSA-N 1 0 307.350 1.689 20 5 DDBDRO CNC(=O)c1ccc(NC[C@H]2CCC[C@@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000420290144 420185115 /nfs/dbraw/zinc/18/51/15/420185115.db2.gz UKASCYDFQCQQEO-CMPLNLGQSA-N 1 0 306.366 1.884 20 5 DDBDRO Cc1c(CNC(=O)C[NH2+]C[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000423814472 420202169 /nfs/dbraw/zinc/20/21/69/420202169.db2.gz UCVYEJPQMAWHJN-CYBMUJFWSA-N 1 0 307.350 1.288 20 5 DDBDRO C[NH2+]C[C@@H]1CCN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000430930719 420210200 /nfs/dbraw/zinc/21/02/00/420210200.db2.gz BUMSEVCOLCYLGO-NEPJUHHUSA-N 1 0 306.366 1.463 20 5 DDBDRO CO[C@H](C[NH3+])CC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000423730411 420147840 /nfs/dbraw/zinc/14/78/40/420147840.db2.gz WQWJWASKXFKJNN-AWEZNQCLSA-N 1 0 307.350 1.450 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000430590733 420147912 /nfs/dbraw/zinc/14/79/12/420147912.db2.gz LWJLZORFQVYOLF-IUODEOHRSA-N 1 0 320.393 1.901 20 5 DDBDRO COc1ccc(NC(=O)[C@H](C)N2CCC([NH3+])CC2)c([N+](=O)[O-])c1 ZINC000430588906 420149024 /nfs/dbraw/zinc/14/90/24/420149024.db2.gz BBMRCKUDAJYYDS-JTQLQIEISA-N 1 0 322.365 1.354 20 5 DDBDRO O=[N+]([O-])c1ccc(-c2noc(NCC[C@@H]3CCC[NH2+]C3)n2)cc1 ZINC000420200434 420149618 /nfs/dbraw/zinc/14/96/18/420149618.db2.gz MSJWETLNKXAQTF-NSHDSACASA-N 1 0 317.349 2.446 20 5 DDBDRO C[NH2+]C[C@@H]1CCCN(CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000430602879 420154430 /nfs/dbraw/zinc/15/44/30/420154430.db2.gz MKPQDUUCUIBJHZ-ZDUSSCGKSA-N 1 0 323.393 1.914 20 5 DDBDRO C[NH2+][C@H]1CCN([C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000430607478 420156662 /nfs/dbraw/zinc/15/66/62/420156662.db2.gz YZDIHVHKTKGCAB-MNOVXSKESA-N 1 0 322.365 1.224 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](C)CCCC[NH3+] ZINC000415744019 420161195 /nfs/dbraw/zinc/16/11/95/420161195.db2.gz PCCOGLQLVKGSCS-LLVKDONJSA-N 1 0 322.365 1.475 20 5 DDBDRO C[NH2+]C[C@@H]1CCCN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000430624998 420161869 /nfs/dbraw/zinc/16/18/69/420161869.db2.gz JVJBXFWLJKOOES-OLZOCXBDSA-N 1 0 320.393 1.853 20 5 DDBDRO COc1ccc(NC(=O)[C@H](C)N2CCC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000430969207 420228665 /nfs/dbraw/zinc/22/86/65/420228665.db2.gz YVAJRTZIPYCKDU-NSHDSACASA-N 1 0 322.365 1.226 20 5 DDBDRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NCCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000420381746 420251476 /nfs/dbraw/zinc/25/14/76/420251476.db2.gz ZJHWHSGTCDHDCS-XHBSWPGZSA-N 1 0 320.393 1.900 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C[NH3+])C2CCCC2)c1 ZINC000423937559 420273916 /nfs/dbraw/zinc/27/39/16/420273916.db2.gz GZIIRILLHSBSRY-CYBMUJFWSA-N 1 0 307.350 1.851 20 5 DDBDRO Cc1ccc(C)c(S(=O)(=O)N[C@@H](C)[C@@H](C)[NH3+])c1[N+](=O)[O-] ZINC000420435420 420283490 /nfs/dbraw/zinc/28/34/90/420283490.db2.gz GSRNSLLHCNDJBK-ZJUUUORDSA-N 1 0 301.368 1.226 20 5 DDBDRO COc1cccc(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000436009892 420301723 /nfs/dbraw/zinc/30/17/23/420301723.db2.gz WQFWEDXBHYCHOU-NEPJUHHUSA-N 1 0 319.361 1.960 20 5 DDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N1CC[C@]2(CC[NH2+]C2)C1 ZINC000417763411 420471694 /nfs/dbraw/zinc/47/16/94/420471694.db2.gz KIXLTGQDZIMOOM-INIZCTEOSA-N 1 0 318.377 1.532 20 5 DDBDRO C[C@@]1(CNC(=O)NCCc2ccccc2[N+](=O)[O-])CCC[NH2+]C1 ZINC000417767750 420472793 /nfs/dbraw/zinc/47/27/93/420472793.db2.gz QWWAIJAOVHGTJX-MRXNPFEDSA-N 1 0 320.393 1.826 20 5 DDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)NCCNc1cc[nH+]cc1 ZINC000439041017 420477452 /nfs/dbraw/zinc/47/74/52/420477452.db2.gz IBWJENCLCHRKOE-UHFFFAOYSA-N 1 0 300.318 1.183 20 5 DDBDRO CC(C)C[C@H](C[NH3+])NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000440411656 420574567 /nfs/dbraw/zinc/57/45/67/420574567.db2.gz SYRZVBHNXIMOHU-MRVPVSSYSA-N 1 0 307.397 1.308 20 5 DDBDRO CO[C@H](C)CNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000451036349 420585200 /nfs/dbraw/zinc/58/52/00/420585200.db2.gz HVNNARZVKCXREH-SNVBAGLBSA-N 1 0 304.306 1.545 20 5 DDBDRO CCc1n[nH]c(C(=O)NC(C)(C)C[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000457049519 420596829 /nfs/dbraw/zinc/59/68/29/420596829.db2.gz JYHHCBXTEIWUGS-UHFFFAOYSA-N 1 0 309.370 1.485 20 5 DDBDRO Cc1ccc(C)c(S(=O)(=O)N[C@H](C)CC[NH3+])c1[N+](=O)[O-] ZINC000440857134 420614573 /nfs/dbraw/zinc/61/45/73/420614573.db2.gz FBMVUZKSMSUJJW-SNVBAGLBSA-N 1 0 301.368 1.227 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000457121475 420622418 /nfs/dbraw/zinc/62/24/18/420622418.db2.gz OLIPQTDHTFFIED-CYBMUJFWSA-N 1 0 323.397 1.431 20 5 DDBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000493094679 420756220 /nfs/dbraw/zinc/75/62/20/420756220.db2.gz RPVDIBMVBBLNKP-GCLPIYDQSA-N 1 0 311.288 1.721 20 5 DDBDRO CC(C)C(=O)NCC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447515131 420777541 /nfs/dbraw/zinc/77/75/41/420777541.db2.gz AZGLCZFUCLKBLA-OLZOCXBDSA-N 1 0 323.397 1.637 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@](C)(C(N)=O)C(C)C ZINC000459483343 420835789 /nfs/dbraw/zinc/83/57/89/420835789.db2.gz OCMKTJQZGMDVPJ-HNNXBMFYSA-N 1 0 322.365 1.331 20 5 DDBDRO C[NH+](C)CCCNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000448561042 420863155 /nfs/dbraw/zinc/86/31/55/420863155.db2.gz DPTVQMDJCHOOLH-UHFFFAOYSA-N 1 0 317.349 1.462 20 5 DDBDRO CC[C@@H]1OCC[C@H]1[NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000459765199 420868879 /nfs/dbraw/zinc/86/88/79/420868879.db2.gz CJEOYBVMLQFPOM-ILXRZTDVSA-N 1 0 319.361 1.857 20 5 DDBDRO CC[C@@H]1OCC[C@H]1[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000459784799 420872167 /nfs/dbraw/zinc/87/21/67/420872167.db2.gz YHOLAMGHQAEOQC-HIFRSBDPSA-N 1 0 319.361 1.641 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](C)N1CCOCC1 ZINC000449068598 420945641 /nfs/dbraw/zinc/94/56/41/420945641.db2.gz CAOCEBBSASZRQM-ZIAGYGMSSA-N 1 0 307.394 1.836 20 5 DDBDRO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)[C@H](C)[NH3+] ZINC000449586792 421033818 /nfs/dbraw/zinc/03/38/18/421033818.db2.gz IJWGVMJDPXLEOS-NKWVEPMBSA-N 1 0 316.155 1.823 20 5 DDBDRO [NH3+][C@H]1CCC[C@H](CNC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000449639817 421041591 /nfs/dbraw/zinc/04/15/91/421041591.db2.gz QSNGBXKVJQXZCY-RYUDHWBXSA-N 1 0 307.350 1.607 20 5 DDBDRO [NH3+]C[C@H]1CC[C@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000449715272 421066964 /nfs/dbraw/zinc/06/69/64/421066964.db2.gz IRXYJPCYWCQGQO-RYUDHWBXSA-N 1 0 307.350 1.607 20 5 DDBDRO CC1(C)[NH2+]CC[C@@H]1NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000449750424 421075073 /nfs/dbraw/zinc/07/50/73/421075073.db2.gz ULTIEFSFAZIOBS-ZDUSSCGKSA-N 1 0 306.366 1.654 20 5 DDBDRO C[C@H]1C[N@H+](CCO)CCN1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000449786394 421082965 /nfs/dbraw/zinc/08/29/65/421082965.db2.gz NMYODXAENJIQKC-SDQPKGBYSA-N 1 0 305.378 1.606 20 5 DDBDRO CC(C)[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC[N@@H+]1C ZINC000489333273 421146662 /nfs/dbraw/zinc/14/66/62/421146662.db2.gz GHHHQAAQLOGCRE-ZDUSSCGKSA-N 1 0 324.356 1.728 20 5 DDBDRO COc1cccc(NC[C@H]2CCC[N@@H+]2CCCO)c1[N+](=O)[O-] ZINC000450588319 421213040 /nfs/dbraw/zinc/21/30/40/421213040.db2.gz AXMIUHQNTLXGLY-GFCCVEGCSA-N 1 0 309.366 1.862 20 5 DDBDRO CCc1nn(C)c(NC[C@H]2CCC[N@@H+]2CCCO)c1[N+](=O)[O-] ZINC000450601233 421216073 /nfs/dbraw/zinc/21/60/73/421216073.db2.gz YCBRQJDFWANUKT-LLVKDONJSA-N 1 0 311.386 1.149 20 5 DDBDRO C[C@@H]1C[C@@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC[N@@H+]1C ZINC000525620063 421294228 /nfs/dbraw/zinc/29/42/28/421294228.db2.gz ZESTYBXVEDMQJH-ZJUUUORDSA-N 1 0 321.333 1.536 20 5 DDBDRO COc1c(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000527243158 421370076 /nfs/dbraw/zinc/37/00/76/421370076.db2.gz WAHOTSIUSVZOKJ-LBPRGKRZSA-N 1 0 319.361 1.914 20 5 DDBDRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000562797027 421414148 /nfs/dbraw/zinc/41/41/48/421414148.db2.gz PJSINXHAFDTHIH-YPMHNXCESA-N 1 0 306.366 1.864 20 5 DDBDRO C[NH2+][C@H]1CCCN(C(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000515382062 421498445 /nfs/dbraw/zinc/49/84/45/421498445.db2.gz YFKQPSNTZXPPLD-LBPRGKRZSA-N 1 0 307.350 1.356 20 5 DDBDRO CC[C@@H]1C[N@H+](C)CCN1C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000516852236 421570557 /nfs/dbraw/zinc/57/05/57/421570557.db2.gz JAAFMVGLRCJFAL-CQSZACIVSA-N 1 0 320.393 1.873 20 5 DDBDRO COC(=O)c1cc(C)nc(N(C)CCC[NH+](C)C)c1[N+](=O)[O-] ZINC000553182765 421605591 /nfs/dbraw/zinc/60/55/91/421605591.db2.gz URJCMFUGYAULSP-UHFFFAOYSA-N 1 0 310.354 1.473 20 5 DDBDRO C[NH+](C)CCN(CCn1ccc([N+](=O)[O-])n1)Cc1ccccn1 ZINC000517584501 421620082 /nfs/dbraw/zinc/62/00/82/421620082.db2.gz VOWAKUXKKIXUAS-UHFFFAOYSA-N 1 0 318.381 1.250 20 5 DDBDRO COc1ccc(CC(=O)N(C)[C@H](C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000518361755 421649901 /nfs/dbraw/zinc/64/99/01/421649901.db2.gz VVXNDKVLQUYKIQ-CYBMUJFWSA-N 1 0 307.350 1.342 20 5 DDBDRO CC[N@@H+]1CC[C@H](CNC(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000518650470 421661392 /nfs/dbraw/zinc/66/13/92/421661392.db2.gz JPUXXUQMYFYGAT-CYBMUJFWSA-N 1 0 321.377 1.604 20 5 DDBDRO C[NH2+]CCCC(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000570713911 421663845 /nfs/dbraw/zinc/66/38/45/421663845.db2.gz BZDOPZWCDRGVSH-UHFFFAOYSA-N 1 0 303.322 1.923 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NCC1CC[NH2+]CC1 ZINC000571622487 421731762 /nfs/dbraw/zinc/73/17/62/421731762.db2.gz YOLIBNGCHVDJHC-UHFFFAOYSA-N 1 0 308.338 1.725 20 5 DDBDRO CC[C@H](C)[N@H+](C)CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000521500315 421790464 /nfs/dbraw/zinc/79/04/64/421790464.db2.gz IODUYKAPUUEBDP-JTQLQIEISA-N 1 0 323.349 1.784 20 5 DDBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000573932543 422034751 /nfs/dbraw/zinc/03/47/51/422034751.db2.gz LZKFOPIDQBBXBB-SNVBAGLBSA-N 1 0 307.354 1.176 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000574424179 422106748 /nfs/dbraw/zinc/10/67/48/422106748.db2.gz MTMFTWHEGOXZKP-GFCCVEGCSA-N 1 0 321.381 1.318 20 5 DDBDRO C[C@@H]1C[C@@H](C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000576030018 422360062 /nfs/dbraw/zinc/36/00/62/422360062.db2.gz KEPADCQMSPWHOU-RDBSUJKOSA-N 1 0 324.377 1.739 20 5 DDBDRO COc1ccc(CC(=O)N2CC[C@@H]([NH3+])C[C@H]2C)cc1[N+](=O)[O-] ZINC000577861558 422443684 /nfs/dbraw/zinc/44/36/84/422443684.db2.gz FGSCWLNBHMETGT-ZYHUDNBSSA-N 1 0 307.350 1.484 20 5 DDBDRO CN(C(=O)C[N@@H+]1CC[C@@H]2OCC[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000578527776 422590231 /nfs/dbraw/zinc/59/02/31/422590231.db2.gz QBWRQGVRMHVORI-DOMZBBRYSA-N 1 0 319.361 1.668 20 5 DDBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000320042342 271025020 /nfs/dbraw/zinc/02/50/20/271025020.db2.gz YCTJHUXKIQDTBD-CRHJNNSXSA-N 1 0 301.346 1.676 20 5 DDBDRO O=C(/C=C\c1ccccc1[N+](=O)[O-])N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000320620192 271026453 /nfs/dbraw/zinc/02/64/53/271026453.db2.gz DVLVIHLFDOZEGU-LAWSMPECSA-N 1 0 301.346 1.818 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+]C1(CCO)CCCCC1 ZINC000341678205 271165610 /nfs/dbraw/zinc/16/56/10/271165610.db2.gz XNYPJOQKHQVASD-UHFFFAOYSA-N 1 0 309.366 1.431 20 5 DDBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)CCn2cc([N+](=O)[O-])nc2C)C[C@@H]1C ZINC000346050859 272398888 /nfs/dbraw/zinc/39/88/88/272398888.db2.gz RIDGHJDJRIVRCO-NWDGAFQWSA-N 1 0 323.397 1.431 20 5 DDBDRO COC(=O)c1cc(NC(=O)NCC[C@H](C)[NH3+])c(C)c([N+](=O)[O-])c1 ZINC000415594388 274000476 /nfs/dbraw/zinc/00/04/76/274000476.db2.gz GHICDZVTXSKTEY-QMMMGPOBSA-N 1 0 324.337 1.549 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(N2CCC([N@H+](C)CCCO)CC2)c1 ZINC000338667783 274117808 /nfs/dbraw/zinc/11/78/08/274117808.db2.gz BOBQCTNSYXZUQS-UHFFFAOYSA-N 1 0 323.393 1.886 20 5 DDBDRO C[C@@H]([NH2+][C@H]1COCC1(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000451815383 274263680 /nfs/dbraw/zinc/26/36/80/274263680.db2.gz ZMYBXVMIIKNOKV-MFKMUULPSA-N 1 0 307.350 1.936 20 5 DDBDRO C[C@@H](O)C[NH+]1CCN(c2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC000450470309 274272260 /nfs/dbraw/zinc/27/22/60/274272260.db2.gz UBVPXRKWEGQNIV-GFCCVEGCSA-N 1 0 316.361 1.646 20 5 DDBDRO O=[N+]([O-])c1ccc(F)cc1CN1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000261985637 275035871 /nfs/dbraw/zinc/03/58/71/275035871.db2.gz AVSYJSYOSOPZQI-AWEZNQCLSA-N 1 0 308.357 1.213 20 5 DDBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc([N+](=O)[O-])cnc1C ZINC000177784756 276233425 /nfs/dbraw/zinc/23/34/25/276233425.db2.gz BXURKPNUGPFUIJ-OLZOCXBDSA-N 1 0 318.377 1.997 20 5 DDBDRO CC[C@@H](C)[NH+]1CCN(c2nccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000296049146 276417508 /nfs/dbraw/zinc/41/75/08/276417508.db2.gz QIRGEEKLODPSDS-SNVBAGLBSA-N 1 0 307.354 1.009 20 5 DDBDRO CC[C@H](C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[NH+](C)C ZINC000278227770 276544957 /nfs/dbraw/zinc/54/49/57/276544957.db2.gz VADWZDSXBLOZIW-GFCCVEGCSA-N 1 0 305.338 1.428 20 5 DDBDRO CN(CC[NH+](C)C)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000267554909 276787046 /nfs/dbraw/zinc/78/70/46/276787046.db2.gz SRGFSUCDLUHCPO-UHFFFAOYSA-N 1 0 321.786 1.430 20 5 DDBDRO C[NH2+]CCNC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000429098621 277025087 /nfs/dbraw/zinc/02/50/87/277025087.db2.gz ZYZJHOMXLXIJMU-GFCCVEGCSA-N 1 0 320.393 1.780 20 5 DDBDRO C[NH2+]C[C@H]1CCCN([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000430605035 277031729 /nfs/dbraw/zinc/03/17/29/277031729.db2.gz PKGAVFWCUUHKLG-CHWSQXEVSA-N 1 0 320.393 1.853 20 5 DDBDRO C[C@@H]1C[C@H](C)N(C(=O)COc2ccccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000424050379 278005173 /nfs/dbraw/zinc/00/51/73/278005173.db2.gz CSPNJMPYGVCLLA-AGIUHOORSA-N 1 0 321.377 1.805 20 5 DDBDRO C[C@H](CC[NH3+])NC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000418521150 278171319 /nfs/dbraw/zinc/17/13/19/278171319.db2.gz IAANGWYTXQFTIP-GFCCVEGCSA-N 1 0 321.381 1.164 20 5 DDBDRO C[C@H]([NH3+])CCNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000178638705 278226255 /nfs/dbraw/zinc/22/62/55/278226255.db2.gz VTPUNYLYROSSFU-NSHDSACASA-N 1 0 306.366 1.662 20 5 DDBDRO CC[C@@H]([NH2+]CCNS(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000036721148 280187890 /nfs/dbraw/zinc/18/78/90/280187890.db2.gz ZNKZPGWBIOLSSM-GFCCVEGCSA-N 1 0 301.368 1.185 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@H](C)[C@H](C)[NH3+])c1 ZINC000420433988 280654660 /nfs/dbraw/zinc/65/46/60/280654660.db2.gz DLXCLCUSIOCIFL-VHSXEESVSA-N 1 0 301.368 1.226 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCC(C)(C)[NH3+])c1C ZINC000237565656 281015649 /nfs/dbraw/zinc/01/56/49/281015649.db2.gz ZMTIJWACPVEMOK-UHFFFAOYSA-N 1 0 301.368 1.227 20 5 DDBDRO CCOc1cc(C(=O)N2CC([NH+](C)C)C2)c([N+](=O)[O-])cc1OC ZINC000134889581 281562489 /nfs/dbraw/zinc/56/24/89/281562489.db2.gz SVTHRXSPNBPUPR-UHFFFAOYSA-N 1 0 323.349 1.388 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NC2(C)CC[NH2+]CC2)c1 ZINC000572834546 304558941 /nfs/dbraw/zinc/55/89/41/304558941.db2.gz PXKFPPMSVQBXGU-UHFFFAOYSA-N 1 0 307.350 1.865 20 5 DDBDRO O=C([C@@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1)N1CCCC1 ZINC000357937510 299025742 /nfs/dbraw/zinc/02/57/42/299025742.db2.gz WYPILQZYANJAFS-CYBMUJFWSA-N 1 0 321.381 1.126 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000363097357 300209979 /nfs/dbraw/zinc/20/99/79/300209979.db2.gz STQZSNUHRLPRCE-ZDUSSCGKSA-N 1 0 318.377 1.999 20 5 DDBDRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1csc([N+](=O)[O-])c1 ZINC000363143933 300219025 /nfs/dbraw/zinc/21/90/25/300219025.db2.gz OBEHSWREMNLQJW-GHMZBOCLSA-N 1 0 311.363 1.249 20 5 DDBDRO Cc1cc(C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c(N)c([N+](=O)[O-])c1 ZINC000363652343 300292936 /nfs/dbraw/zinc/29/29/36/300292936.db2.gz PMAYGRUVQDFYJA-WCFLWFBJSA-N 1 0 318.377 1.685 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N(C1CC1)C1CC[NH2+]CC1 ZINC000368554694 301051151 /nfs/dbraw/zinc/05/11/51/301051151.db2.gz FEJBVNMZTDWEGW-UHFFFAOYSA-N 1 0 304.350 1.655 20 5 DDBDRO Cc1c(C(=O)N2CCC[N@@H+]([C@H](C)CO)CC2)cccc1[N+](=O)[O-] ZINC000368967056 301112922 /nfs/dbraw/zinc/11/29/22/301112922.db2.gz UOUXEVPBLJWGPG-GFCCVEGCSA-N 1 0 321.377 1.432 20 5 DDBDRO NC(=O)c1ccc(C[N@@H+]2CCCO[C@H]3CCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000369473840 301189629 /nfs/dbraw/zinc/18/96/29/301189629.db2.gz UFPJXCZFQYOQHD-ZFWWWQNUSA-N 1 0 319.361 1.837 20 5 DDBDRO CC(C)C[N@@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000370591088 301369918 /nfs/dbraw/zinc/36/99/18/301369918.db2.gz WXPJEZNDHIQBPG-UHFFFAOYSA-N 1 0 306.366 1.794 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC000370631124 301374556 /nfs/dbraw/zinc/37/45/56/301374556.db2.gz LJODJUCHDSAZEA-HNNXBMFYSA-N 1 0 305.334 1.315 20 5 DDBDRO O=C(COc1cccc([N+](=O)[O-])c1)N(C1CC1)C1CC[NH2+]CC1 ZINC000370789523 301393179 /nfs/dbraw/zinc/39/31/79/301393179.db2.gz WRXCSOVBFSKERH-UHFFFAOYSA-N 1 0 319.361 1.717 20 5 DDBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)COc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000376360918 302068146 /nfs/dbraw/zinc/06/81/46/302068146.db2.gz QMCJOIUBSJAJCA-KCPJHIHWSA-N 1 0 319.361 1.559 20 5 DDBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000376398156 302072332 /nfs/dbraw/zinc/07/23/32/302072332.db2.gz UTPYUGMPSWTDEK-GHMZBOCLSA-N 1 0 307.354 1.027 20 5 DDBDRO CC(C)C[N@@H+]1CCCN(C(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000378572445 302337827 /nfs/dbraw/zinc/33/78/27/302337827.db2.gz BPJBOASNXCEJRR-UHFFFAOYSA-N 1 0 321.381 1.607 20 5 DDBDRO CC(C)(C)[C@@H](C[NH3+])NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000420357891 302384204 /nfs/dbraw/zinc/38/42/04/302384204.db2.gz IBKMOXJWJPBNJG-CQSZACIVSA-N 1 0 320.393 1.447 20 5 DDBDRO O=C(NCCC[NH+]1CCCC1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000516834609 302797751 /nfs/dbraw/zinc/79/77/51/302797751.db2.gz DGBHHFDCDVGXHM-UHFFFAOYSA-N 1 0 321.333 1.539 20 5 DDBDRO CC[C@@H]1CC[N@@H+]([C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000531026000 303225898 /nfs/dbraw/zinc/22/58/98/303225898.db2.gz SHBZZADJFVZNDX-RISCZKNCSA-N 1 0 317.345 1.959 20 5 DDBDRO CC(C)(CNC(=O)c1cc([N+](=O)[O-])cnc1N)[NH+]1CCCCC1 ZINC000545371966 303493601 /nfs/dbraw/zinc/49/36/01/303493601.db2.gz JRQKCULOBPHSEM-UHFFFAOYSA-N 1 0 321.381 1.566 20 5 DDBDRO CC[NH+](CC)CC1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC000554858596 303709047 /nfs/dbraw/zinc/70/90/47/303709047.db2.gz WWVRJNDTOKMGJU-UHFFFAOYSA-N 1 0 309.370 1.512 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCC[C@@H]2CCCCO2)c1 ZINC000563014132 303910986 /nfs/dbraw/zinc/91/09/86/303910986.db2.gz PSQRPIAVBBPAGC-KBPBESRZSA-N 1 0 312.370 1.091 20 5 DDBDRO Cc1cccc(N2CCCN(CC[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000364638652 307049042 /nfs/dbraw/zinc/04/90/42/307049042.db2.gz RTSYICITOCNWTC-UHFFFAOYSA-N 1 0 306.410 1.977 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCC[C@@H](c3nnc[nH]3)C2)c1 ZINC000366652339 307078761 /nfs/dbraw/zinc/07/87/61/307078761.db2.gz KMPDFEYWEMVKTL-OCCSQVGLSA-N 1 0 317.349 1.626 20 5 DDBDRO Cc1c(CN2CCC[C@@H](S(N)(=O)=O)C2)cccc1[N+](=O)[O-] ZINC000368680122 307107885 /nfs/dbraw/zinc/10/78/85/307107885.db2.gz JIIPWQOJYXNOER-GFCCVEGCSA-N 1 0 313.379 1.156 20 5 DDBDRO Cn1nccc1[C@H]1CCC[C@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)C1 ZINC000369562728 307124232 /nfs/dbraw/zinc/12/42/32/307124232.db2.gz VBXHRXSRYXSPBS-STQMWFEESA-N 1 0 318.381 1.841 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000415570325 307299071 /nfs/dbraw/zinc/29/90/71/307299071.db2.gz SGIRJHDPGSULPV-GHMZBOCLSA-N 1 0 320.349 1.051 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)cn1 ZINC000538743387 307677421 /nfs/dbraw/zinc/67/74/21/307677421.db2.gz AHMXLJKDFCTQQV-UONOGXRCSA-N 1 0 306.366 1.415 20 5 DDBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)NCCC[NH2+]C1CC1 ZINC000563811458 307983472 /nfs/dbraw/zinc/98/34/72/307983472.db2.gz DXGMTOVRPGQLQO-UHFFFAOYSA-N 1 0 309.391 1.945 20 5 DDBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000569225948 308137341 /nfs/dbraw/zinc/13/73/41/308137341.db2.gz QGUNLAZOPUWEIU-ZJUUUORDSA-N 1 0 302.334 1.999 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000569712542 308147895 /nfs/dbraw/zinc/14/78/95/308147895.db2.gz JITAUGHLVNAJGV-GXFFZTMASA-N 1 0 305.334 1.427 20 5 DDBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)C[NH+](C)C ZINC000572107123 308211219 /nfs/dbraw/zinc/21/12/19/308211219.db2.gz QOIVGRRIYAEDCH-JTQLQIEISA-N 1 0 323.349 1.294 20 5 DDBDRO C[C@@H](Cc1ccc(O)cc1)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000573713280 308250302 /nfs/dbraw/zinc/25/03/02/308250302.db2.gz OBHIALJDPBJBEK-NHYWBVRUSA-N 1 0 320.349 1.079 20 5 DDBDRO CC(C)(C)[C@H](O)C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000576668835 308331059 /nfs/dbraw/zinc/33/10/59/308331059.db2.gz PNZVTTCBWYLRDM-CYBMUJFWSA-N 1 0 308.382 1.519 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C[C@@H]2CCSC2)c1 ZINC000576980367 308354114 /nfs/dbraw/zinc/35/41/14/308354114.db2.gz XXSKPYSPKBMRQL-AAEUAGOBSA-N 1 0 312.391 1.677 20 5 DDBDRO C[C@H]([NH2+][C@H]1C[C@@H](O)C1(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000577290580 308377565 /nfs/dbraw/zinc/37/75/65/308377565.db2.gz RGSMDQRISPAAAB-TVYUQYBPSA-N 1 0 307.350 1.671 20 5 DDBDRO C[NH+](C)C[C@@H](NC(=O)c1c[nH]nc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000579049044 308503145 /nfs/dbraw/zinc/50/31/45/308503145.db2.gz FVRLBTAHNFTVIE-GFCCVEGCSA-N 1 0 321.312 1.490 20 5 DDBDRO COCC[NH2+]C1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000581076777 308652647 /nfs/dbraw/zinc/65/26/47/308652647.db2.gz GLXMOYVIBXPUHM-UHFFFAOYSA-N 1 0 322.365 1.827 20 5 DDBDRO C[C@H](CCC[NH3+])NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000581607311 325884361 /nfs/dbraw/zinc/88/43/61/325884361.db2.gz UEBZQXJGKDXSER-SNVBAGLBSA-N 1 0 318.337 1.033 20 5 DDBDRO CC[N@H+](C)C[C@H](O)Cn1cnc2cc3ccccc3cc2c1=O ZINC000582616700 337115363 /nfs/dbraw/zinc/11/53/63/337115363.db2.gz PHIWMXRPJOZIRL-HNNXBMFYSA-N 1 0 311.385 1.862 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000307816205 484377258 /nfs/dbraw/zinc/37/72/58/484377258.db2.gz LAMOJQWUBAIGJO-JTQLQIEISA-N 1 0 305.256 1.913 20 5 DDBDRO Cc1c(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)cccc1[N+](=O)[O-] ZINC000307821657 484377274 /nfs/dbraw/zinc/37/72/74/484377274.db2.gz QASGVZVGTBMJHI-JTQLQIEISA-N 1 0 305.256 1.913 20 5 DDBDRO Cc1c(CC(=O)N[C@@H]2[C@H](C)CC[NH2+][C@H]2C)cccc1[N+](=O)[O-] ZINC000423635590 533837288 /nfs/dbraw/zinc/83/72/88/533837288.db2.gz PEBPGRUGYBQHOJ-RSAASHCRSA-N 1 0 305.378 1.948 20 5 DDBDRO COc1ccc(NC(=O)CC[N@H+](C)[C@H]2CCOC2)c([N+](=O)[O-])c1 ZINC000299332000 534064400 /nfs/dbraw/zinc/06/44/00/534064400.db2.gz PWGGKHMRUMNOGT-NSHDSACASA-N 1 0 323.349 1.653 20 5 DDBDRO C[C@H]1[NH2+]CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000420317527 534121566 /nfs/dbraw/zinc/12/15/66/534121566.db2.gz UXMQSWMIHQERND-NEPJUHHUSA-N 1 0 306.366 1.606 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000451487978 534320036 /nfs/dbraw/zinc/32/00/36/534320036.db2.gz HSKJCWGQRYZLFK-CFVMTHIKSA-N 1 0 319.361 1.304 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@@H](O)C12CCCC2 ZINC000292839961 534320884 /nfs/dbraw/zinc/32/08/84/534320884.db2.gz UUHSWKFYHIZJMX-CYBMUJFWSA-N 1 0 307.350 1.136 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCSC[C@@H]1C1CC1 ZINC000451646420 534321427 /nfs/dbraw/zinc/32/14/27/534321427.db2.gz FKBCFBVPJHNJAB-CYBMUJFWSA-N 1 0 309.391 1.584 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000452393411 534334134 /nfs/dbraw/zinc/33/41/34/534334134.db2.gz SNAWSYIILAMRKX-CQSZACIVSA-N 1 0 321.377 1.480 20 5 DDBDRO Cc1ccnc(NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c1[N+](=O)[O-] ZINC000301244339 534402744 /nfs/dbraw/zinc/40/27/44/534402744.db2.gz ACKJJHHQAOAWTR-GFCCVEGCSA-N 1 0 321.381 1.298 20 5 DDBDRO C[NH2+]C[C@H]1CCCN1S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000156628013 522088413 /nfs/dbraw/zinc/08/84/13/522088413.db2.gz NBPUCAXAHPDFDL-LLVKDONJSA-N 1 0 313.379 1.276 20 5 DDBDRO O=[N+]([O-])c1ccc2[nH]c(N[C@H]3CCC[N@@H+](CCCO)C3)nc2c1 ZINC000295006586 534884072 /nfs/dbraw/zinc/88/40/72/534884072.db2.gz SAZSWNVOVMZRPG-NSHDSACASA-N 1 0 319.365 1.730 20 5 DDBDRO CC(C)(C(=O)NC[C@@H]1C[NH2+]CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000449706572 527523825 /nfs/dbraw/zinc/52/38/25/527523825.db2.gz BFMJQSDRVLRUHT-AWEZNQCLSA-N 1 0 321.377 1.367 20 5 DDBDRO CCCc1n[nH]c(C(=O)NCC2(C)CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000330786042 528545994 /nfs/dbraw/zinc/54/59/94/528545994.db2.gz UYWFMCVDBUSKAL-UHFFFAOYSA-N 1 0 323.397 1.732 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000423533047 528611208 /nfs/dbraw/zinc/61/12/08/528611208.db2.gz WMIKUMPAONSBRM-ZLKJLUDKSA-N 1 0 319.361 1.803 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NC1CCC([NH3+])CC1 ZINC000422768342 528692681 /nfs/dbraw/zinc/69/26/81/528692681.db2.gz SBWCLFMTBNGZLV-UHFFFAOYSA-N 1 0 307.350 1.993 20 5 DDBDRO CC(C)[C@H]([NH3+])CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000422845067 529067565 /nfs/dbraw/zinc/06/75/65/529067565.db2.gz AWLYCHUQSJPDBV-GFCCVEGCSA-N 1 0 302.334 1.856 20 5 DDBDRO CC(C)NC(=O)CC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447533064 529125138 /nfs/dbraw/zinc/12/51/38/529125138.db2.gz YROGHPWPXAVRPH-CHWSQXEVSA-N 1 0 323.397 1.779 20 5 DDBDRO Cc1c(CN2CC[NH+](CCCCO)CC2)cccc1[N+](=O)[O-] ZINC000746484813 700026777 /nfs/dbraw/zinc/02/67/77/700026777.db2.gz ZALKVHMSPWNHJM-UHFFFAOYSA-N 1 0 307.394 1.793 20 5 DDBDRO Cc1c(C(=O)NCC[N@@H+](C)C(C)C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000101955496 696609502 /nfs/dbraw/zinc/60/95/02/696609502.db2.gz JRUMXXAVTVLEDE-UHFFFAOYSA-N 1 0 324.337 1.881 20 5 DDBDRO O=C(CC[N@@H+]1CCC2(C1)OCCO2)Nc1ccccc1[N+](=O)[O-] ZINC000104082992 696618109 /nfs/dbraw/zinc/61/81/09/696618109.db2.gz DFIQHBVTWNRINC-UHFFFAOYSA-N 1 0 321.333 1.372 20 5 DDBDRO CCC(CC)(C[NH3+])NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000124060698 696738513 /nfs/dbraw/zinc/73/85/13/696738513.db2.gz SORWAJKBRKGTOE-UHFFFAOYSA-N 1 0 319.358 1.530 20 5 DDBDRO Cc1cc(S(=O)(=O)NC[C@H](C)[NH+](C)C)cc([N+](=O)[O-])c1F ZINC000164561514 697336756 /nfs/dbraw/zinc/33/67/56/697336756.db2.gz KCKHTXACXRUROE-VIFPVBQESA-N 1 0 319.358 1.271 20 5 DDBDRO C[NH2+]C1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000179137658 697434147 /nfs/dbraw/zinc/43/41/47/697434147.db2.gz QMEGTQSRTPQSKX-UHFFFAOYSA-N 1 0 308.294 1.327 20 5 DDBDRO CCNS(=O)(=O)CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000772977887 697699908 /nfs/dbraw/zinc/69/99/08/697699908.db2.gz KWKGQVJVTTYAJP-LLVKDONJSA-N 1 0 315.395 1.493 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC1CC([NH+](C)C)C1 ZINC000773489996 697767539 /nfs/dbraw/zinc/76/75/39/697767539.db2.gz YCSWTXAWFJNFIT-UHFFFAOYSA-N 1 0 306.366 1.483 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)CN2CC[NH+](CCCCO)CC2)c1 ZINC000750105037 700203565 /nfs/dbraw/zinc/20/35/65/700203565.db2.gz IOYWVMSRXKNWTE-INIZCTEOSA-N 1 0 323.393 1.018 20 5 DDBDRO CC[NH2+][C@H](C)CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000262438596 698469903 /nfs/dbraw/zinc/46/99/03/698469903.db2.gz GYRYGAIDIQBPQB-GFCCVEGCSA-N 1 0 308.382 1.901 20 5 DDBDRO Cc1nn(CN2CCN(c3cc(C)ccn3)CC2)cc1[N+](=O)[O-] ZINC000779866778 698476456 /nfs/dbraw/zinc/47/64/56/698476456.db2.gz LJPDYBHXWLFNMW-UHFFFAOYSA-N 1 0 316.365 1.583 20 5 DDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCCS(=O)(=O)C2)cc1Cl ZINC000783636611 698863701 /nfs/dbraw/zinc/86/37/01/698863701.db2.gz VVJMSWOLSKIYKM-SNVBAGLBSA-N 1 0 318.782 1.915 20 5 DDBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CC(C(N)=O)=NO1 ZINC000789562067 699396175 /nfs/dbraw/zinc/39/61/75/699396175.db2.gz UZOUHWBADHPVIY-KADSFNECSA-N 1 0 318.333 1.218 20 5 DDBDRO C[N@@H+]1CC[C@@H](C(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)C1 ZINC000729529337 699481734 /nfs/dbraw/zinc/48/17/34/699481734.db2.gz RNYHHSVENKTLKV-LLVKDONJSA-N 1 0 315.333 1.875 20 5 DDBDRO O=[N+]([O-])c1c(NCC[NH+]2CCSCC2)nc2ccccn21 ZINC000732805409 699571631 /nfs/dbraw/zinc/57/16/31/699571631.db2.gz VDYDIBHZGXXRIQ-UHFFFAOYSA-N 1 0 307.379 1.703 20 5 DDBDRO COc1cc(C(=O)N2CCN(C)[C@@H](C)C2)cc([N+](=O)[O-])c1C ZINC000790679151 699591358 /nfs/dbraw/zinc/59/13/58/699591358.db2.gz SWGWABALMOPUOZ-JTQLQIEISA-N 1 0 307.350 1.688 20 5 DDBDRO CC[NH+](CC)C[C@@H](C)NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000790881085 699601573 /nfs/dbraw/zinc/60/15/73/699601573.db2.gz VIXFANDMJXABPY-SECBINFHSA-N 1 0 321.424 1.665 20 5 DDBDRO CC[NH+](CC)CCS(=O)(=O)Oc1ccc(C)c([N+](=O)[O-])c1 ZINC000810057170 701717587 /nfs/dbraw/zinc/71/75/87/701717587.db2.gz AHZKEVOXQQCDHQ-UHFFFAOYSA-N 1 0 316.379 1.954 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@H](CCO)C2CCOCC2)c1 ZINC000763903466 700952478 /nfs/dbraw/zinc/95/24/78/700952478.db2.gz SCZYJXLMYWLZHH-CVEARBPZSA-N 1 0 324.377 1.395 20 5 DDBDRO CCNC(=O)[C@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000764621178 700979090 /nfs/dbraw/zinc/97/90/90/700979090.db2.gz WVKKQPXEFHRXIE-LBPRGKRZSA-N 1 0 320.393 1.678 20 5 DDBDRO COCCOCC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000765324409 701007317 /nfs/dbraw/zinc/00/73/17/701007317.db2.gz GVOGHIOGOFUMRJ-UHFFFAOYSA-N 1 0 323.393 1.816 20 5 DDBDRO COCC[N@@H+]1CCCN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC1 ZINC000804353057 701181628 /nfs/dbraw/zinc/18/16/28/701181628.db2.gz FHMBJCIMZDZIFQ-UHFFFAOYSA-N 1 0 324.337 1.662 20 5 DDBDRO C[NH+](C)C[C@H]1CCCN1S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768857333 701211233 /nfs/dbraw/zinc/21/12/33/701211233.db2.gz JJVQWAUWYGAMIA-SECBINFHSA-N 1 0 319.408 1.371 20 5 DDBDRO Nc1c(C(=O)OCC[NH+]2CCCCC2)cc(F)cc1[N+](=O)[O-] ZINC000770352822 701275019 /nfs/dbraw/zinc/27/50/19/701275019.db2.gz SLSZCNGKPMROOV-UHFFFAOYSA-N 1 0 311.313 1.959 20 5 DDBDRO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000839703452 701790425 /nfs/dbraw/zinc/79/04/25/701790425.db2.gz DLTNIGJPYKEMCF-RBSFLKMASA-N 1 0 303.362 1.385 20 5 DDBDRO C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N(C)C)C1CC[NH2+]CC1 ZINC000868008802 701889099 /nfs/dbraw/zinc/88/90/99/701889099.db2.gz LNWMDXUKNSIDNM-NSHDSACASA-N 1 0 320.393 1.779 20 5 DDBDRO C[N@@H+]1CCN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])CC1(C)C ZINC000868029406 701899996 /nfs/dbraw/zinc/89/99/96/701899996.db2.gz JUGOFNWMXIZJQS-UHFFFAOYSA-N 1 0 309.341 1.829 20 5 DDBDRO C[C@H]([NH2+]CCC1(O)CCOCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815624559 701904950 /nfs/dbraw/zinc/90/49/50/701904950.db2.gz CBPCCZTYTLXEMV-NSHDSACASA-N 1 0 309.366 1.759 20 5 DDBDRO C[C@@H]1CN(Cn2c(=O)oc3cccc([N+](=O)[O-])c32)C[C@H](C)[N@H+]1C ZINC000840089885 701961913 /nfs/dbraw/zinc/96/19/13/701961913.db2.gz KGMLEGMDJXIQEC-PHIMTYICSA-N 1 0 320.349 1.485 20 5 DDBDRO CO[C@H]1CC[N@H+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C[C@H]1C ZINC000840123116 701981877 /nfs/dbraw/zinc/98/18/77/701981877.db2.gz KRTSZPWPDZINSY-YGRLFVJLSA-N 1 0 319.365 1.962 20 5 DDBDRO CO[C@@H]1C[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)[C@@](C)(CO)C1 ZINC000879262750 706633688 /nfs/dbraw/zinc/63/36/88/706633688.db2.gz ZIIGSPRBXDKZJZ-RRFJBIMHSA-N 1 0 310.350 1.100 20 5 DDBDRO CCS(=O)(=O)CC[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866257343 706659105 /nfs/dbraw/zinc/65/91/05/706659105.db2.gz YJLYZGXGFWLJKQ-JTQLQIEISA-N 1 0 318.370 1.689 20 5 DDBDRO CC[C@@H]([NH3+])CNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000841257781 702405238 /nfs/dbraw/zinc/40/52/38/702405238.db2.gz WHGLVRRNNCMOHC-SSDOTTSWSA-N 1 0 314.729 1.040 20 5 DDBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000818015615 702554533 /nfs/dbraw/zinc/55/45/33/702554533.db2.gz WHPAWWUQLOAMDP-OUOZUETKSA-N 1 0 301.346 1.963 20 5 DDBDRO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000818017220 702555185 /nfs/dbraw/zinc/55/51/85/702555185.db2.gz XTTUQWFASWGBBG-OAHLLOKOSA-N 1 0 315.333 1.439 20 5 DDBDRO COc1cc(Cc2noc(CC3(C[NH3+])CC3)n2)ccc1[N+](=O)[O-] ZINC000841827481 702574290 /nfs/dbraw/zinc/57/42/90/702574290.db2.gz QMIOXZYRTJUUQQ-UHFFFAOYSA-N 1 0 318.333 1.859 20 5 DDBDRO [NH3+]C1(c2noc(-c3cc4nsnc4c([N+](=O)[O-])c3)n2)CCC1 ZINC000842621059 702743916 /nfs/dbraw/zinc/74/39/16/702743916.db2.gz XDQFSGUOHLZHHY-UHFFFAOYSA-N 1 0 318.318 1.987 20 5 DDBDRO Cc1cc(S(=O)(=O)N(C)CCC[NH3+])cc([N+](=O)[O-])c1F ZINC000842727280 702763232 /nfs/dbraw/zinc/76/32/32/702763232.db2.gz GDOWBPDOUCTNAS-UHFFFAOYSA-N 1 0 305.331 1.012 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)CNC[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000843061703 702810714 /nfs/dbraw/zinc/81/07/14/702810714.db2.gz HKAGICAJLDDELP-CVEARBPZSA-N 1 0 323.393 1.065 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H](CO)Cc2ccncc2)cc1 ZINC000843111218 702820998 /nfs/dbraw/zinc/82/09/98/702820998.db2.gz RTKQIWVMWOYNCL-GDBMZVCRSA-N 1 0 317.345 1.216 20 5 DDBDRO CC1(C)C[NH2+]CCN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000843352708 702864635 /nfs/dbraw/zinc/86/46/35/702864635.db2.gz SKKDVGAOXPALOB-UHFFFAOYSA-N 1 0 324.356 1.746 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2C[C@H](C[NH3+])C[C@H]2C)cc1[N+](=O)[O-] ZINC000843453202 702885158 /nfs/dbraw/zinc/88/51/58/702885158.db2.gz CLIGZSCQTAEVSC-SCZZXKLOSA-N 1 0 322.321 1.621 20 5 DDBDRO Nc1ccc(C(=O)N2CC[C@]3(C2)CCC[NH2+]C3)cc1[N+](=O)[O-] ZINC000843473595 702888810 /nfs/dbraw/zinc/88/88/10/702888810.db2.gz HZMWALYAEVFPFJ-OAHLLOKOSA-N 1 0 304.350 1.393 20 5 DDBDRO C[C@@H](CO)C1CC[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000844417153 703028660 /nfs/dbraw/zinc/02/86/60/703028660.db2.gz SGDMYDVTKVHEOD-LRDDRELGSA-N 1 0 308.378 1.969 20 5 DDBDRO O=C1CC[C@@H]([N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C(=O)N1 ZINC000831538571 706728079 /nfs/dbraw/zinc/72/80/79/706728079.db2.gz FEQNXDSZNFNWOX-TZMCWYRMSA-N 1 0 317.345 1.579 20 5 DDBDRO Cc1nc([N+](=O)[O-])c(-c2noc([C@H]3C[C@@]34CCC[NH2+]C4)n2)n1C ZINC000848626347 703569729 /nfs/dbraw/zinc/56/97/29/703569729.db2.gz BBTUDICNQOAQGX-YMTOWFKASA-N 1 0 318.337 1.544 20 5 DDBDRO CO[C@H](C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000850484487 703733450 /nfs/dbraw/zinc/73/34/50/703733450.db2.gz JTLDKDORQVEHHP-JVLSTEMRSA-N 1 0 309.366 1.879 20 5 DDBDRO CCO[C@H](CNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)C[NH+](C)C ZINC000831723000 706762656 /nfs/dbraw/zinc/76/26/56/706762656.db2.gz CLASWHCAGKTJCP-SWLSCSKDSA-N 1 0 323.393 1.781 20 5 DDBDRO C[NH2+]C[C@@H](C)NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000851682847 703830287 /nfs/dbraw/zinc/83/02/87/703830287.db2.gz ZKDYXFGLHWZSRI-GFCCVEGCSA-N 1 0 321.381 1.034 20 5 DDBDRO Cc1c(C(=O)N[C@@](C)(C[NH3+])C2CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000818554737 703924424 /nfs/dbraw/zinc/92/44/24/703924424.db2.gz DSRMSYGYMPTETG-AWEZNQCLSA-N 1 0 322.321 1.669 20 5 DDBDRO COc1cc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)ccn1 ZINC000818946039 704031196 /nfs/dbraw/zinc/03/11/96/704031196.db2.gz CTHVEUBZGYTVFS-AWEZNQCLSA-N 1 0 303.318 1.822 20 5 DDBDRO Cn1cc(CCC[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000819003710 704049618 /nfs/dbraw/zinc/04/96/18/704049618.db2.gz GQSDHILRZFFSCT-OAHLLOKOSA-N 1 0 304.350 1.584 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCOC[C@@H]2CCOC2)c1 ZINC000819046467 704057838 /nfs/dbraw/zinc/05/78/38/704057838.db2.gz PFKQMBDBRRZFCP-IUODEOHRSA-N 1 0 310.350 1.271 20 5 DDBDRO CCOC(=O)C[C@H](C)C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819193836 704084523 /nfs/dbraw/zinc/08/45/23/704084523.db2.gz LJBRYBFXKXSBKE-SMDDNHRTSA-N 1 0 310.350 1.807 20 5 DDBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H]3COC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000852664833 704096065 /nfs/dbraw/zinc/09/60/65/704096065.db2.gz DNQGDSFIORBDOF-NWDGAFQWSA-N 1 0 307.306 1.971 20 5 DDBDRO Cc1ccc(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c(=O)n1C ZINC000819270058 704097974 /nfs/dbraw/zinc/09/79/74/704097974.db2.gz SBUVNMUEOHUJFF-OAHLLOKOSA-N 1 0 317.345 1.425 20 5 DDBDRO COC(=O)[C@H]1C[C@@H]([N@H+](C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000852695530 704101485 /nfs/dbraw/zinc/10/14/85/704101485.db2.gz AKLUASHTLRPSKU-KWCYVHTRSA-N 1 0 308.334 1.512 20 5 DDBDRO O=C(CCC12CC(C1)C[NH2+]2)NCCc1ccc([N+](=O)[O-])cc1 ZINC000870872562 704152370 /nfs/dbraw/zinc/15/23/70/704152370.db2.gz AYJDNCYIIGAZRP-UHFFFAOYSA-N 1 0 303.362 1.786 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000870976226 704188088 /nfs/dbraw/zinc/18/80/88/704188088.db2.gz WAOXHRDFKVMBFZ-ZSBIGDGJSA-N 1 0 319.361 1.864 20 5 DDBDRO C[C@]1(NS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC[NH2+]C1 ZINC000853082344 704192962 /nfs/dbraw/zinc/19/29/62/704192962.db2.gz HLSAVJZNAQZMIB-NSHDSACASA-N 1 0 319.770 1.279 20 5 DDBDRO CC(C)[C@H]([NH3+])CNC(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857765577 704622228 /nfs/dbraw/zinc/62/22/28/704622228.db2.gz RJNZTLJVYADYRU-LLVKDONJSA-N 1 0 317.292 1.666 20 5 DDBDRO C[C@H]1CN(C(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000857765067 704622293 /nfs/dbraw/zinc/62/22/93/704622293.db2.gz KAYHVQWFHYZVJJ-VIFPVBQESA-N 1 0 315.276 1.387 20 5 DDBDRO Cc1cc(Cl)c(S(=O)(=O)N(C)C[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000858642599 704738854 /nfs/dbraw/zinc/73/88/54/704738854.db2.gz OETIFPHNJPIYFT-QMMMGPOBSA-N 1 0 321.786 1.524 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(Cc2noc(C[C@@H](C[NH3+])OC)n2)c1 ZINC000823088596 705136206 /nfs/dbraw/zinc/13/62/06/705136206.db2.gz LZZMJBWXUWELBU-NSHDSACASA-N 1 0 322.321 1.093 20 5 DDBDRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000874834293 705191852 /nfs/dbraw/zinc/19/18/52/705191852.db2.gz QWBCFIGOYMITMK-KBPBESRZSA-N 1 0 304.350 1.486 20 5 DDBDRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000874834296 705192242 /nfs/dbraw/zinc/19/22/42/705192242.db2.gz QWBCFIGOYMITMK-ZIAGYGMSSA-N 1 0 304.350 1.486 20 5 DDBDRO Cc1cc(C(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3C)c(N)c([N+](=O)[O-])c1 ZINC000874839118 705194859 /nfs/dbraw/zinc/19/48/59/705194859.db2.gz TUIMWCDHTLGSAI-QWHCGFSZSA-N 1 0 318.377 1.794 20 5 DDBDRO C[C@H](CNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC000825358916 705653621 /nfs/dbraw/zinc/65/36/21/705653621.db2.gz FTTNZKJMKZVTRA-DOMZBBRYSA-N 1 0 321.377 1.476 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]Cc3cnn[nH]3)CC2)cc1 ZINC000862423827 705715436 /nfs/dbraw/zinc/71/54/36/705715436.db2.gz CDBOPBFIFVNTNQ-UHFFFAOYSA-N 1 0 302.338 1.472 20 5 DDBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876649687 705801879 /nfs/dbraw/zinc/80/18/79/705801879.db2.gz CEUATXPPTYPLEC-ZFWWWQNUSA-N 1 0 323.368 1.981 20 5 DDBDRO Cc1nccn1CCC[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000876945733 705933557 /nfs/dbraw/zinc/93/35/57/705933557.db2.gz AYKXFBQPBJATRB-UHFFFAOYSA-N 1 0 304.354 1.680 20 5 DDBDRO C[C@H](Cc1cnccn1)[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000876975327 705945326 /nfs/dbraw/zinc/94/53/26/705945326.db2.gz CUZNFTLGVNWDKA-XSRFYTQQSA-N 1 0 302.338 1.506 20 5 DDBDRO C[C@H]([NH3+])CN(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000863567033 705959575 /nfs/dbraw/zinc/95/95/75/705959575.db2.gz AHQCIIVNCCLZCY-QMMMGPOBSA-N 1 0 300.746 1.466 20 5 DDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@H](O)c3ccsc3)C2)c1 ZINC000877048443 705971652 /nfs/dbraw/zinc/97/16/52/705971652.db2.gz LEUVMSKNRDMQDO-XIVSLSHWSA-N 1 0 308.363 1.880 20 5 DDBDRO [NH3+]C[C@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)C[C@@H]1C(F)(F)F ZINC000877369823 706083271 /nfs/dbraw/zinc/08/32/71/706083271.db2.gz OGHGBXWOEZLHOO-YUMQZZPRSA-N 1 0 323.296 1.866 20 5 DDBDRO CN1C(=O)[C@H]2C[N@H+](C/C=C\c3ccccc3[N+](=O)[O-])C[C@H]2C1=O ZINC000877720292 706188618 /nfs/dbraw/zinc/18/86/18/706188618.db2.gz NFRZRGFBHAZIHK-RWBPYIHSSA-N 1 0 315.329 1.155 20 5 DDBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000877892710 706233371 /nfs/dbraw/zinc/23/33/71/706233371.db2.gz CKHQCDFIYVNJEA-LLVKDONJSA-N 1 0 308.338 1.819 20 5 DDBDRO CO[C@H]1C[C@@H](C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)C1 ZINC000878694199 706470829 /nfs/dbraw/zinc/47/08/29/706470829.db2.gz OVHAUSPTWKCWJJ-BETUJISGSA-N 1 0 306.366 1.537 20 5 DDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)s1 ZINC000866828341 706817218 /nfs/dbraw/zinc/81/72/18/706817218.db2.gz WESPMYYDWYDSMO-IUCAKERBSA-N 1 0 317.392 1.171 20 5 DDBDRO CC(C)[C@@H]([NH3+])CNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000832756345 706976559 /nfs/dbraw/zinc/97/65/59/706976559.db2.gz ZMGYSVKNWYVNDB-LBPRGKRZSA-N 1 0 305.338 1.044 20 5 DDBDRO C[N@@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)C[C@@H]1C(C)(C)C ZINC000880614545 707042766 /nfs/dbraw/zinc/04/27/66/707042766.db2.gz WPXILMHJLPXJFQ-CYBMUJFWSA-N 1 0 320.393 1.979 20 5 DDBDRO O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)c1cc([N+](=O)[O-])ccc1Cl ZINC000834796714 707121206 /nfs/dbraw/zinc/12/12/06/707121206.db2.gz NBQYXXDCAJOVMV-YUMQZZPRSA-N 1 0 301.705 1.678 20 5 DDBDRO CC(C)[N@@H+]1CCCC[C@H]1COC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000837611759 707695681 /nfs/dbraw/zinc/69/56/81/707695681.db2.gz GMNCJPJTUQDVIP-NSHDSACASA-N 1 0 310.354 1.748 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H](C)CS(C)(=O)=O ZINC000873050576 707709881 /nfs/dbraw/zinc/70/98/81/707709881.db2.gz XNYYSFIPLCTISV-JTQLQIEISA-N 1 0 300.380 1.734 20 5 DDBDRO Cc1c(C[NH2+]C[C@H]2CC[C@@H](C(=O)N(C)C)O2)cccc1[N+](=O)[O-] ZINC000873100934 707732302 /nfs/dbraw/zinc/73/23/02/707732302.db2.gz JFLDRMWLZHQZRB-HIFRSBDPSA-N 1 0 321.377 1.629 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCC1CS(=O)(=O)C1 ZINC000873112833 707735117 /nfs/dbraw/zinc/73/51/17/707735117.db2.gz ICEOXWFXUZKXGL-UHFFFAOYSA-N 1 0 312.391 1.736 20 5 DDBDRO CN(CC[NH+]1CC2(C1)CCOCC2)c1ccnc(F)c1[N+](=O)[O-] ZINC000882706107 707754759 /nfs/dbraw/zinc/75/47/59/707754759.db2.gz JQHDTZZLWNGHJZ-UHFFFAOYSA-N 1 0 324.356 1.678 20 5 DDBDRO C[NH+](C)CCCOC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000838102022 707841164 /nfs/dbraw/zinc/84/11/64/707841164.db2.gz MZVJDVNHLPBPPE-UHFFFAOYSA-N 1 0 318.333 1.889 20 5 DDBDRO CCN1CC[C@H]1C[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000883354139 707983019 /nfs/dbraw/zinc/98/30/19/707983019.db2.gz MMGIALUYZKCRCP-DOMZBBRYSA-N 1 0 320.393 1.996 20 5 DDBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000883372850 707986037 /nfs/dbraw/zinc/98/60/37/707986037.db2.gz QFOGLHLWOXEMDT-CYBMUJFWSA-N 1 0 322.365 1.367 20 5 DDBDRO COCc1cc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)no1 ZINC000839094698 708024032 /nfs/dbraw/zinc/02/40/32/708024032.db2.gz BGXZRCXEQGRRBA-UHFFFAOYSA-N 1 0 306.322 1.695 20 5 DDBDRO C[NH2+][C@@H]1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCCO3)C1 ZINC000884008928 708100203 /nfs/dbraw/zinc/10/02/03/708100203.db2.gz GGNUARMGBPLBKM-SNVBAGLBSA-N 1 0 321.333 1.190 20 5 DDBDRO COCC[C@H]([NH3+])C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000884306572 708236086 /nfs/dbraw/zinc/23/60/86/708236086.db2.gz IEAGOWZMZWCNDV-ZDUSSCGKSA-N 1 0 307.350 1.450 20 5 DDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000897218460 708256379 /nfs/dbraw/zinc/25/63/79/708256379.db2.gz CUFOEWYKWTUBCP-QWHCGFSZSA-N 1 0 323.397 1.155 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@H]([NH+](C)C)C12CCC2 ZINC000912600345 713042650 /nfs/dbraw/zinc/04/26/50/713042650.db2.gz OZVIUWSFNXDKOV-OLZOCXBDSA-N 1 0 306.366 1.536 20 5 DDBDRO C[N@@H+]1C[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3F)C[C@]2(C)C1 ZINC000887934770 709170769 /nfs/dbraw/zinc/17/07/69/709170769.db2.gz UFDGYQFZMOHGEA-BMIGLBTASA-N 1 0 307.325 1.758 20 5 DDBDRO CCOc1ccc(C2(C[NH2+]CC[N+](=O)[O-])CCOCC2)cc1 ZINC000899873559 709224208 /nfs/dbraw/zinc/22/42/08/709224208.db2.gz ROYAZRTZPWDQBB-UHFFFAOYSA-N 1 0 308.378 2.000 20 5 DDBDRO COCCN(CC[NH+](C)C)C(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000900587325 709664561 /nfs/dbraw/zinc/66/45/61/709664561.db2.gz NHDGYHAQQOEQRI-UHFFFAOYSA-N 1 0 323.393 1.862 20 5 DDBDRO O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912911232 713121744 /nfs/dbraw/zinc/12/17/44/713121744.db2.gz DNMMIEXHODOASG-NSHDSACASA-N 1 0 314.345 1.996 20 5 DDBDRO C[NH+]1CCC2(CCN2C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC1 ZINC000900787697 709758679 /nfs/dbraw/zinc/75/86/79/709758679.db2.gz HGUDGWDOIRUMCL-UHFFFAOYSA-N 1 0 306.322 1.006 20 5 DDBDRO Cc1ccc([C@H](C)NC(=O)[C@@]2(C)C[C@@H](O)C[N@@H+]2C)cc1[N+](=O)[O-] ZINC000900968696 709854049 /nfs/dbraw/zinc/85/40/49/709854049.db2.gz WRMDPUMODKBGAS-NORZTCDRSA-N 1 0 321.377 1.536 20 5 DDBDRO CC[N@@H+]1CCCN(C(=O)CCn2cc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000910286603 709867042 /nfs/dbraw/zinc/86/70/42/709867042.db2.gz HICPOSWXEFAJJG-GFCCVEGCSA-N 1 0 309.370 1.124 20 5 DDBDRO O=[N+]([O-])c1c2nonc2ccc1N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000892285980 710410006 /nfs/dbraw/zinc/41/00/06/710410006.db2.gz BVXOZPBKZQUVGM-SNVBAGLBSA-N 1 0 303.322 1.806 20 5 DDBDRO [NH3+]C[C@@H]1Cc2cc(F)ccc2N(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000903568653 711200421 /nfs/dbraw/zinc/20/04/21/711200421.db2.gz NCNBGLKIJMLNQD-NSHDSACASA-N 1 0 319.340 1.568 20 5 DDBDRO C[NH2+]CCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1C)C(C)C ZINC000903570715 711201820 /nfs/dbraw/zinc/20/18/20/711201820.db2.gz ZKQBFJDOOVCDLG-UHFFFAOYSA-N 1 0 308.382 1.772 20 5 DDBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CC([NH+]2CCCC2)C1 ZINC000912328213 711281291 /nfs/dbraw/zinc/28/12/91/711281291.db2.gz YYFLDPYQXSDHMF-VMPITWQZSA-N 1 0 301.346 1.915 20 5 DDBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]C[C@@H]2COCO2)c1 ZINC000894874050 711304304 /nfs/dbraw/zinc/30/43/04/711304304.db2.gz VGNYZKCTPXVUCL-SNVBAGLBSA-N 1 0 304.249 1.659 20 5 DDBDRO COc1c(O)ccc(C[N@@H+]2C[C@@H]3CCC[C@]3(CO)C2)c1[N+](=O)[O-] ZINC000895635981 711565723 /nfs/dbraw/zinc/56/57/23/711565723.db2.gz PXMQMQUFGBYNFH-BLLLJJGKSA-N 1 0 322.361 1.903 20 5 DDBDRO C[C@H](NC(=O)c1ccc(F)cc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCN1C ZINC000896554416 711749855 /nfs/dbraw/zinc/74/98/55/711749855.db2.gz FLPQDDBXTWJUFP-HZMBPMFUSA-N 1 0 324.356 1.098 20 5 DDBDRO CO[C@H]1C[C@H](C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000905422363 712034206 /nfs/dbraw/zinc/03/42/06/712034206.db2.gz JETXZEFBASPCBB-UXIGCNINSA-N 1 0 310.350 1.349 20 5 DDBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C12CC[NH+](CC1)C2 ZINC000908052205 712672224 /nfs/dbraw/zinc/67/22/24/712672224.db2.gz ALJPDYATQLGJIH-UHFFFAOYSA-N 1 0 303.362 1.692 20 5 DDBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@H](O)C1(O)CCCC1 ZINC000930440442 713835223 /nfs/dbraw/zinc/83/52/23/713835223.db2.gz MQXQWZCXLYYZFG-HNNXBMFYSA-N 1 0 308.378 1.735 20 5 DDBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H](O)C1(O)CCCC1 ZINC000930440444 713835324 /nfs/dbraw/zinc/83/53/24/713835324.db2.gz MQXQWZCXLYYZFG-OAHLLOKOSA-N 1 0 308.378 1.735 20 5 DDBDRO CCC[NH+]1CCC(N(C)C(=O)Cn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000930449901 713837629 /nfs/dbraw/zinc/83/76/29/713837629.db2.gz AHCBBUFEUMTFIP-UHFFFAOYSA-N 1 0 323.397 1.433 20 5 DDBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000931045449 713989831 /nfs/dbraw/zinc/98/98/31/713989831.db2.gz QEKQCIWXRVVCOX-DOMZBBRYSA-N 1 0 320.393 1.582 20 5 DDBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000931045654 713990051 /nfs/dbraw/zinc/99/00/51/713990051.db2.gz YEHBZKPAERPNBC-MGPQQGTHSA-N 1 0 323.393 1.359 20 5 DDBDRO CC(C)[N@H+](C)Cc1cc(O[C@@H]2CCN(CC[N+](=O)[O-])C2)ccn1 ZINC000931095725 714000075 /nfs/dbraw/zinc/00/00/75/714000075.db2.gz ZIPZVSWCJNWQLT-MRXNPFEDSA-N 1 0 322.409 1.652 20 5 DDBDRO CC[N@H+](C)Cc1cc(O[C@H]2CCN(CC[N+](=O)[O-])C2)ccn1 ZINC000931095197 714000298 /nfs/dbraw/zinc/00/02/98/714000298.db2.gz WYCXBPYDMUSYFA-HNNXBMFYSA-N 1 0 308.382 1.263 20 5 DDBDRO C[N@@H+]1CC[C@@H]2C[NH+](C[C@H](O)c3cccc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC000931438999 714098133 /nfs/dbraw/zinc/09/81/33/714098133.db2.gz MGMQUSBUTDCVHD-YCPHGPKFSA-N 1 0 305.378 1.512 20 5 DDBDRO C[C@@H]1COC[C@@H]1[NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000932486322 714343258 /nfs/dbraw/zinc/34/32/58/714343258.db2.gz CQJYRLDFYXUJJC-PWSUYJOCSA-N 1 0 321.333 1.517 20 5 DDBDRO CN(C(=O)CN1C[C@@H]2CC[NH2+]C[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000923520277 714388104 /nfs/dbraw/zinc/38/81/04/714388104.db2.gz QRNDDKZDXUVHQU-QWHCGFSZSA-N 1 0 318.377 1.099 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCC(O)(C2CCC2)CC1 ZINC000932817002 714418634 /nfs/dbraw/zinc/41/86/34/714418634.db2.gz BPZYLDHNPLCWIH-UHFFFAOYSA-N 1 0 321.377 1.384 20 5 DDBDRO CCO[C@H]1CC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000932979084 714448247 /nfs/dbraw/zinc/44/82/47/714448247.db2.gz FSEYOOSRCGHGRP-HIFRSBDPSA-N 1 0 310.350 1.445 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCCSC[C@@H]1C1CC1 ZINC000933913350 714700732 /nfs/dbraw/zinc/70/07/32/714700732.db2.gz BJAZEUOXMAKSPM-CQSZACIVSA-N 1 0 323.418 1.974 20 5 DDBDRO CCNC(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000934042872 714730308 /nfs/dbraw/zinc/73/03/08/714730308.db2.gz DRRMMMHNXSNEHH-UHFFFAOYSA-N 1 0 307.354 1.488 20 5 DDBDRO Cc1ccc(CN2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)cc1[N+](=O)[O-] ZINC000934271496 714782363 /nfs/dbraw/zinc/78/23/63/714782363.db2.gz HFENQDOAEIMLST-CVEARBPZSA-N 1 0 319.405 1.934 20 5 DDBDRO Cn1cc(C[N@H+]2C[C@@H](Cc3ccccc3)[C@H](O)C2)c([N+](=O)[O-])n1 ZINC000934432887 714820093 /nfs/dbraw/zinc/82/00/93/714820093.db2.gz YYXAXUQFWXHMOZ-UKRRQHHQSA-N 1 0 316.361 1.364 20 5 DDBDRO C[C@@H]1[C@@H](NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000925343011 714820479 /nfs/dbraw/zinc/82/04/79/714820479.db2.gz KVTHVQZDCIDNMQ-OCCSQVGLSA-N 1 0 320.393 1.871 20 5 DDBDRO CC1(C)CC([NH3+])CC(C)(C)N1c1ccc([N+](=O)[O-])c(C(N)=O)n1 ZINC001167624516 734847557 /nfs/dbraw/zinc/84/75/57/734847557.db2.gz YLIHSCLFMPDNDO-UHFFFAOYSA-N 1 0 321.381 1.573 20 5 DDBDRO Cc1cc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cs1 ZINC001025775802 736853329 /nfs/dbraw/zinc/85/33/29/736853329.db2.gz NCWSTRIMRXBBPM-RGDJUOJXSA-N 1 0 321.402 1.268 20 5 DDBDRO [NH3+]CCc1ccn(-c2ncc(F)c3cc([N+](=O)[O-])ccc32)n1 ZINC001167727610 737171247 /nfs/dbraw/zinc/17/12/47/737171247.db2.gz AEEWJDJXSUKIIU-UHFFFAOYSA-N 1 0 301.281 1.969 20 5 DDBDRO CN1CCc2c(NC(=N)SCC[NH3+])ccc([N+](=O)[O-])c2C1 ZINC001167916691 739444783 /nfs/dbraw/zinc/44/47/83/739444783.db2.gz WHYZXRIHEPQUSJ-UHFFFAOYSA-N 1 0 309.395 1.621 20 5 DDBDRO COc1cc([N+](=O)[O-])cnc1N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000894623327 740327790 /nfs/dbraw/zinc/32/77/90/740327790.db2.gz OMCSQICIQLLHCK-ZDUSSCGKSA-N 1 0 322.365 1.034 20 5 DDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)[N@H+]2CCCC1CCC1 ZINC001029305208 740551399 /nfs/dbraw/zinc/55/13/99/740551399.db2.gz UUAXMOSZFVFTTR-QKPAOTATSA-N 1 0 321.421 1.907 20 5 DDBDRO C[N@@H+]1C[C@@]23CN(c4ncc([N+](=O)[O-])c(N)n4)C[C@]2(C1)CCCC3 ZINC001187921372 744635644 /nfs/dbraw/zinc/63/56/44/744635644.db2.gz SUHPXSVKNPKVSR-GASCZTMLSA-N 1 0 318.381 1.279 20 5 DDBDRO O=C(NCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1ccncc1 ZINC001122594667 745597585 /nfs/dbraw/zinc/59/75/85/745597585.db2.gz PCNXSIZOCHPNIA-UHFFFAOYSA-N 1 0 300.318 1.509 20 5 DDBDRO Cc1oncc1C[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001005380997 749931189 /nfs/dbraw/zinc/93/11/89/749931189.db2.gz HVEGAZIAMPWMTR-ZIAGYGMSSA-N 1 0 322.365 1.071 20 5 DDBDRO CN(CCCNC(=O)CCC[NH+](C)C)c1ncccc1[N+](=O)[O-] ZINC001095721716 750167807 /nfs/dbraw/zinc/16/78/07/750167807.db2.gz WFJWNHCGTQBLEJ-UHFFFAOYSA-N 1 0 323.397 1.274 20 5 DDBDRO CC[NH+](CC)CC(=O)NCCN(C)c1ncc([N+](=O)[O-])cc1C ZINC001100125721 762020588 /nfs/dbraw/zinc/02/05/88/762020588.db2.gz JCXDVLNHRNVAQV-UHFFFAOYSA-N 1 0 323.397 1.192 20 5 DDBDRO COc1cc(-n2cc3c(n2)CC[C@H]([NH3+])C3)cc([N+](=O)[O-])c1C ZINC001168820145 762069669 /nfs/dbraw/zinc/06/96/69/762069669.db2.gz IQYZVDZCTWOACW-NSHDSACASA-N 1 0 302.334 1.914 20 5 DDBDRO O=C1CCC2(CCC(C[NH2+][C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)N1 ZINC001168977965 762147179 /nfs/dbraw/zinc/14/71/79/762147179.db2.gz NGWPMANSJRVYFB-IOSBVQAASA-N 1 0 309.410 1.860 20 5 DDBDRO COc1ccc(OC)c(C(=O)C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001168959410 762155336 /nfs/dbraw/zinc/15/53/36/762155336.db2.gz VRRYJOJCFPBUAR-RYUDHWBXSA-N 1 0 322.361 1.922 20 5 DDBDRO Cc1cccnc1N1CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169007693 762175463 /nfs/dbraw/zinc/17/54/63/762175463.db2.gz PIQYGCIGWSFKDT-HUUCEWRRSA-N 1 0 304.394 1.957 20 5 DDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CCN(c3ccc(O)cc3)CC2)C1 ZINC001169008063 762176133 /nfs/dbraw/zinc/17/61/33/762176133.db2.gz RJGWJXYPLVZFFO-DZGCQCFKSA-N 1 0 305.378 1.960 20 5 DDBDRO O=C(c1cccnc1)N1CC[C@@H]([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168990640 762182093 /nfs/dbraw/zinc/18/20/93/762182093.db2.gz CWJMAFLTZGNNPT-VHDGCEQUSA-N 1 0 318.377 1.331 20 5 DDBDRO O=C(NC1CC1)[C@H]1C[C@H]2C[N@@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@H]2C1 ZINC001169023549 762201107 /nfs/dbraw/zinc/20/11/07/762201107.db2.gz OYWUCPYYTJYXPR-GRYWWWGRSA-N 1 0 321.421 1.668 20 5 DDBDRO Cc1nccc(N([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C2CC[NH2+]CC2)n1 ZINC001169052499 762208102 /nfs/dbraw/zinc/20/81/02/762208102.db2.gz GHHHNSVYIVOOCI-DZGCQCFKSA-N 1 0 319.409 1.789 20 5 DDBDRO Cc1cc(N2CC[NH+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)ncn1 ZINC001169054954 762209636 /nfs/dbraw/zinc/20/96/36/762209636.db2.gz OMASTKBHHPMCCO-UONOGXRCSA-N 1 0 305.382 1.352 20 5 DDBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccnc(Cl)c2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001020138984 760613119 /nfs/dbraw/zinc/61/31/19/760613119.db2.gz LCCRMVDPWWDFJC-DDHJBXDOSA-N 1 0 324.768 1.137 20 5 DDBDRO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2cccc(F)c2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001086082893 760943383 /nfs/dbraw/zinc/94/33/83/760943383.db2.gz GYYHEMQMAVEMDK-FAAHXZRKSA-N 1 0 321.352 1.475 20 5 DDBDRO O=C(NCC1CC[NH+](Cc2cccnc2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001001395444 762821486 /nfs/dbraw/zinc/82/14/86/762821486.db2.gz MMVMYOJYZVFHNM-HUUCEWRRSA-N 1 0 318.377 1.075 20 5 DDBDRO O=[N+]([O-])c1cc(NC[C@@H]2COCC[NH2+]2)ccc1OC(F)(F)F ZINC001170045594 764371155 /nfs/dbraw/zinc/37/11/55/764371155.db2.gz RSCVFEGLIAECPF-SECBINFHSA-N 1 0 321.255 1.894 20 5 DDBDRO C[C@H](Nc1ccc2ncccc2c1[N+](=O)[O-])[C@@H]1C[NH2+]CCO1 ZINC001170576260 768249363 /nfs/dbraw/zinc/24/93/63/768249363.db2.gz ZOOUQTOLUYAFDI-HZMBPMFUSA-N 1 0 302.334 1.932 20 5 DDBDRO COc1ccc(C[C@H](C)n2nc(CC[NH3+])nc2C)c([N+](=O)[O-])c1 ZINC001170304706 766230261 /nfs/dbraw/zinc/23/02/61/766230261.db2.gz FZQUTUQIAXEETJ-JTQLQIEISA-N 1 0 319.365 1.808 20 5 DDBDRO CCC[C@H]([NH2+][C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])C(N)=O ZINC001170315976 766246106 /nfs/dbraw/zinc/24/61/06/766246106.db2.gz ZYRXCMIIEOYRBE-MFKMUULPSA-N 1 0 309.366 1.778 20 5 DDBDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1cc([N+](=O)[O-])cc(C)n1 ZINC001137489469 766337051 /nfs/dbraw/zinc/33/70/51/766337051.db2.gz DPCLFLLJPOHXHX-ZDUSSCGKSA-N 1 0 324.381 1.385 20 5 DDBDRO CC1(C)CCC(C[NH2+]CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001157767013 766563815 /nfs/dbraw/zinc/56/38/15/766563815.db2.gz DEVSBOMAWYLBHG-ZIAGYGMSSA-N 1 0 311.426 1.964 20 5 DDBDRO CC(F)(F)CC(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001133446682 769827548 /nfs/dbraw/zinc/82/75/48/769827548.db2.gz KIAUJWUAVLRGBD-UHFFFAOYSA-N 1 0 307.322 1.907 20 5 DDBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N[C@@H](C)[C@H]2C[NH2+]CCO2)n1 ZINC001159496533 771601783 /nfs/dbraw/zinc/60/17/83/771601783.db2.gz JPGKROVBPJXJIF-POYBYMJQSA-N 1 0 301.734 1.135 20 5 DDBDRO CCOC(=O)CN(CC[NH3+])c1cc2cccnc2c([N+](=O)[O-])c1 ZINC001170995566 772045627 /nfs/dbraw/zinc/04/56/27/772045627.db2.gz QMMPXKBJYXNONP-UHFFFAOYSA-N 1 0 318.333 1.471 20 5 DDBDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC001136839751 772170470 /nfs/dbraw/zinc/17/04/70/772170470.db2.gz SPPPJOUHMQTPMU-SNVBAGLBSA-N 1 0 308.338 1.109 20 5 DDBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N[C@@H](C[NH3+])C(C)(C)C)n1 ZINC001160918687 772818560 /nfs/dbraw/zinc/81/85/60/772818560.db2.gz YCRHVYMCFVTEJR-VIFPVBQESA-N 1 0 310.358 1.437 20 5 DDBDRO C[NH+]1CCC(C(=O)NCCNc2ccc([N+](=O)[O-])cc2F)CC1 ZINC001093701529 775022562 /nfs/dbraw/zinc/02/25/62/775022562.db2.gz XBWVALZIRCZIJZ-UHFFFAOYSA-N 1 0 324.356 1.604 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]C1(CCO)COC1)CC2 ZINC001172899611 776915039 /nfs/dbraw/zinc/91/50/39/776915039.db2.gz BAEUYKMALVJQEM-AWEZNQCLSA-N 1 0 306.362 1.583 20 5 DDBDRO NC(=O)[C@@H]1CCC[N@@H+]1[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172907598 776918198 /nfs/dbraw/zinc/91/81/98/776918198.db2.gz GYVBLTOAYUESMD-ZFWWWQNUSA-N 1 0 303.362 1.792 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]CCN1CC[C@@H](O)C1)CC2 ZINC001172910492 776941882 /nfs/dbraw/zinc/94/18/82/776941882.db2.gz BXPSKTDGJVNJII-DOTOQJQBSA-N 1 0 319.405 1.498 20 5 DDBDRO [NH3+]CCONC1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173012449 776960128 /nfs/dbraw/zinc/96/01/28/776960128.db2.gz SZSBLRJEFTZRMW-UHFFFAOYSA-N 1 0 316.308 1.322 20 5 DDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCN(C2COC2)CC1 ZINC001173226137 777061600 /nfs/dbraw/zinc/06/16/00/777061600.db2.gz LDHJPDFOFONEEE-CYBMUJFWSA-N 1 0 305.378 1.542 20 5 DDBDRO CO[C@@H]1CCOC[C@H]1[NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001176463494 778156208 /nfs/dbraw/zinc/15/62/08/778156208.db2.gz HWBGQBCSMKGRFZ-LERXQTSPSA-N 1 0 323.349 1.315 20 5 DDBDRO C[NH+](C)CC[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC001177532311 778639068 /nfs/dbraw/zinc/63/90/68/778639068.db2.gz MHPGECWMDLDSBI-LLVKDONJSA-N 1 0 306.366 1.591 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1C[NH+]2CCC1CC2 ZINC001179899262 779523311 /nfs/dbraw/zinc/52/33/11/779523311.db2.gz BCDDBQNYGIKACJ-CYBMUJFWSA-N 1 0 303.362 1.975 20 5 DDBDRO Cc1sc(C(=O)NC[C@H]2C[NH2+]CCC2(F)F)cc1[N+](=O)[O-] ZINC001119383103 781429996 /nfs/dbraw/zinc/42/99/96/781429996.db2.gz UFEJIPWMWKHFAI-MRVPVSSYSA-N 1 0 319.333 1.939 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC001120025411 781728896 /nfs/dbraw/zinc/72/88/96/781728896.db2.gz QYNNVCGHQIRUDO-JSGCOSHPSA-N 1 0 323.397 1.508 20 5 DDBDRO O=C(NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1)c1ccc[nH]1 ZINC001269375438 841576068 /nfs/dbraw/zinc/57/60/68/841576068.db2.gz VWDDKFOLGYYDLK-UHFFFAOYSA-N 1 0 314.345 1.975 20 5 DDBDRO COc1ccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)c(F)c1F ZINC001225957717 842453244 /nfs/dbraw/zinc/45/32/44/842453244.db2.gz ODBGGCPUYFSCPF-SECBINFHSA-N 1 0 304.313 1.336 20 5 DDBDRO CCc1n[nH]c(C(=O)N[C@H]2C[C@@H]([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC001142938667 861315749 /nfs/dbraw/zinc/31/57/49/861315749.db2.gz WCMBOHCQMXXIDK-AOOOYVTPSA-N 1 0 307.354 1.237 20 5 DDBDRO COCCCC(=O)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001155044674 861672516 /nfs/dbraw/zinc/67/25/16/861672516.db2.gz GHJMYDKUZCVUNL-UHFFFAOYSA-N 1 0 309.366 1.617 20 5 DDBDRO O=[N+]([O-])c1cnc(NC[C@@H]2CCC(F)(F)C2)nc1C1C[NH2+]C1 ZINC001155176247 861799694 /nfs/dbraw/zinc/79/96/94/861799694.db2.gz WBDQWSPYBIBSRL-MRVPVSSYSA-N 1 0 313.308 1.919 20 5 DDBDRO O=[N+]([O-])c1ccc2nc(N[C@H]3COCCC34C[NH2+]C4)cnc2c1 ZINC001155461016 862112141 /nfs/dbraw/zinc/11/21/41/862112141.db2.gz GQOMLHJSOADBNM-ZDUSSCGKSA-N 1 0 315.333 1.328 20 5 DDBDRO COc1nc(NCC[C@@H]2CCOC23C[NH2+]C3)ccc1[N+](=O)[O-] ZINC001155470381 862123566 /nfs/dbraw/zinc/12/35/66/862123566.db2.gz LEGAWORTYYGORN-SNVBAGLBSA-N 1 0 308.338 1.179 20 5 DDBDRO CCOc1nc(NC[C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)ccc1[N+](=O)[O-] ZINC001155483467 862145391 /nfs/dbraw/zinc/14/53/91/862145391.db2.gz MVVILACTHQTIJS-CKYFFXLPSA-N 1 0 308.338 1.035 20 5 DDBDRO O=[N+]([O-])c1ccc2ccnc(N[C@@H]3C[NH2+][C@@H]4COC[C@H]34)c2c1 ZINC001155510495 862174382 /nfs/dbraw/zinc/17/43/82/862174382.db2.gz MSHOJMGADITHKH-MGPQQGTHSA-N 1 0 300.318 1.542 20 5 DDBDRO O=[N+]([O-])c1cc(Cl)nc(N[C@H]2CCO[C@@]3(CC[NH2+]C3)C2)c1 ZINC001155619545 862299215 /nfs/dbraw/zinc/29/92/15/862299215.db2.gz PXHKCSNDQIJPTI-ZANVPECISA-N 1 0 312.757 1.966 20 5 DDBDRO O=[N+]([O-])c1c[nH]c2ccc(N[C@H]3CCO[C@@]4(CC[NH2+]C4)C3)nc21 ZINC001155624025 862308373 /nfs/dbraw/zinc/30/83/73/862308373.db2.gz UZAVJPXWHHSVIW-BONVTDFDSA-N 1 0 317.349 1.794 20 5 DDBDRO CCOCCC(=O)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001155643594 862331880 /nfs/dbraw/zinc/33/18/80/862331880.db2.gz FDLBUEFGHMCHGM-UHFFFAOYSA-N 1 0 309.366 1.617 20 5 DDBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N(CCC[NH3+])C(C)C ZINC001156124311 862739776 /nfs/dbraw/zinc/73/97/76/862739776.db2.gz REMPWQKXGHCNEQ-UHFFFAOYSA-N 1 0 310.354 1.730 20 5 DDBDRO Cc1ncoc1C(=O)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001156228317 862840271 /nfs/dbraw/zinc/84/02/71/862840271.db2.gz TWZZGNLIYDBWAW-UHFFFAOYSA-N 1 0 318.333 1.801 20 5 DDBDRO C[C@H](CC[NH+](C)C)C(=O)N[C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC001151595239 862861918 /nfs/dbraw/zinc/86/19/18/862861918.db2.gz IUXYXSSXSFWSTD-MLGOLLRUSA-N 1 0 323.393 1.506 20 5 DDBDRO C[C@@H](CC[NH+](C)C)C(=O)N[C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC001151595237 862863421 /nfs/dbraw/zinc/86/34/21/862863421.db2.gz IUXYXSSXSFWSTD-BLLLJJGKSA-N 1 0 323.393 1.506 20 5 DDBDRO CC(C)(C)CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001072724819 857642067 /nfs/dbraw/zinc/64/20/67/857642067.db2.gz FTATVXIUIGPTOZ-CHWSQXEVSA-N 1 0 309.410 1.622 20 5 DDBDRO C[N@@H+]1CCCC[C@H]1CNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC001122111975 858688949 /nfs/dbraw/zinc/68/89/49/858688949.db2.gz PWAOQURFPIUQHF-AWEZNQCLSA-N 1 0 320.393 1.921 20 5 DDBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001122304222 858745235 /nfs/dbraw/zinc/74/52/35/858745235.db2.gz QUUOODRFCPRWKZ-XXILOJSOSA-N 1 0 307.375 1.939 20 5 DDBDRO O=C(NCC[NH2+]Cc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC001122496885 858852821 /nfs/dbraw/zinc/85/28/21/858852821.db2.gz FLEDIHLAZSYXOO-UHFFFAOYSA-N 1 0 307.350 1.227 20 5 DDBDRO O=C(COCC1CC1)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001124005285 859520510 /nfs/dbraw/zinc/52/05/10/859520510.db2.gz LVHZQWFDSAWIKX-UHFFFAOYSA-N 1 0 307.350 1.227 20 5 DDBDRO Cc1cncc(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])c1 ZINC001125195384 859917752 /nfs/dbraw/zinc/91/77/52/859917752.db2.gz PCEANORRWBJQMJ-UHFFFAOYSA-N 1 0 314.345 1.818 20 5 DDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC001326146349 861134876 /nfs/dbraw/zinc/13/48/76/861134876.db2.gz WAYGYIYWPMOVOF-UHFFFAOYSA-N 1 0 304.350 1.605 20 5 DDBDRO CC(=O)N1CCC([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001326145374 861134960 /nfs/dbraw/zinc/13/49/60/861134960.db2.gz CZQMOSLVZPVGTD-HNNXBMFYSA-N 1 0 307.350 1.229 20 5 DDBDRO O=C(NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cncnc1 ZINC001156952788 863472114 /nfs/dbraw/zinc/47/21/14/863472114.db2.gz FELTZMHQKVJXMQ-UHFFFAOYSA-N 1 0 315.333 1.295 20 5 DDBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCN1CCC(CO)CC1 ZINC001329114999 863485843 /nfs/dbraw/zinc/48/58/43/863485843.db2.gz SQCDQNJGGBTWBQ-INIZCTEOSA-N 1 0 319.405 1.876 20 5 DDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC001329299697 863585567 /nfs/dbraw/zinc/58/55/67/863585567.db2.gz MZFBVFSLMTZHSW-GHMZBOCLSA-N 1 0 306.366 1.754 20 5 DDBDRO COc1cc(C)nc(N2C[C@H]3[C@H](C2)CCC[N@@H+]3C)c1[N+](=O)[O-] ZINC001157266356 863695314 /nfs/dbraw/zinc/69/53/14/863695314.db2.gz RBEHOKKRAQEZAW-RYUDHWBXSA-N 1 0 306.366 1.837 20 5 DDBDRO CSc1nc(Cl)nc(N2C[C@@H]3C[NH2+][C@@H]3C2)c1[N+](=O)[O-] ZINC001157624277 863985926 /nfs/dbraw/zinc/98/59/26/863985926.db2.gz WPYPMRUYGSOQBA-NTSWFWBYSA-N 1 0 301.759 1.168 20 5 DDBDRO Cc1nc(-n2nnc(-c3cccc(C[NH3+])c3)n2)ccc1[N+](=O)[O-] ZINC001158043383 864387983 /nfs/dbraw/zinc/38/79/83/864387983.db2.gz XXRJYWPBSQGDGH-UHFFFAOYSA-N 1 0 311.305 1.400 20 5 DDBDRO Cc1cncc([N+](=O)[O-])c1NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC001330618711 864491468 /nfs/dbraw/zinc/49/14/68/864491468.db2.gz QXLHNPKQSJZRDT-ZDUSSCGKSA-N 1 0 306.366 1.385 20 5 DDBDRO Cc1nc(N[C@@H](C)CN(C)CCC[NH+](C)C)ncc1[N+](=O)[O-] ZINC001330685257 864534669 /nfs/dbraw/zinc/53/46/69/864534669.db2.gz LNSXDSWCWHBYOT-NSHDSACASA-N 1 0 310.402 1.377 20 5 DDBDRO [NH3+]Cc1cnnn1-c1cc([N+](=O)[O-])cc2c(Cl)ncnc21 ZINC001158426746 864647216 /nfs/dbraw/zinc/64/72/16/864647216.db2.gz FCRXKHORNADZDN-UHFFFAOYSA-N 1 0 305.685 1.231 20 5 DDBDRO CCOC(=O)C1(Nc2cccc([N+](=O)[O-])n2)CC[NH+](C)CC1 ZINC001158568963 864736185 /nfs/dbraw/zinc/73/61/85/864736185.db2.gz XCJUKUNLOAYTKR-UHFFFAOYSA-N 1 0 308.338 1.429 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cc2c(c(F)c1)C(=O)CC2 ZINC001225364169 881798046 /nfs/dbraw/zinc/79/80/46/881798046.db2.gz NBJKWDOEMVVIPX-LLVKDONJSA-N 1 0 310.345 1.317 20 5 DDBDRO CO[C@@H]1CN(c2ccc3c(ccc(Cl)c3[N+](=O)[O-])n2)C[C@@H]1[NH3+] ZINC001158711983 864837783 /nfs/dbraw/zinc/83/77/83/864837783.db2.gz XTSCJMIPCQBDSY-CMPLNLGQSA-N 1 0 322.752 1.959 20 5 DDBDRO CN(C)/C=C/c1cc(N2CCC3(C[NH2+]C3)CC2)ncc1[N+](=O)[O-] ZINC001159043365 865067125 /nfs/dbraw/zinc/06/71/25/865067125.db2.gz XKZFIFFJXKSOTI-ZZXKWVIFSA-N 1 0 317.393 1.712 20 5 DDBDRO Cc1c(CC[NH3+])c(=O)[nH]n1-c1nccc2cc([N+](=O)[O-])ccc21 ZINC001159302563 865215632 /nfs/dbraw/zinc/21/56/32/865215632.db2.gz LRSFKJQMIOBHPI-UHFFFAOYSA-N 1 0 313.317 1.844 20 5 DDBDRO C[C@H](Nc1ccc2cccc([N+](=O)[O-])c2n1)[C@@H]1C[NH2+]CCO1 ZINC001159498835 865349988 /nfs/dbraw/zinc/34/99/88/865349988.db2.gz RMYXGYNDRNSIAN-GWCFXTLKSA-N 1 0 302.334 1.932 20 5 DDBDRO O=C(NCCC1=CC[N@H+](CCC2CC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001160107142 865679775 /nfs/dbraw/zinc/67/97/75/865679775.db2.gz JSCVWLQTBMGITA-HUUCEWRRSA-N 1 0 307.394 1.590 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[N@H+](C2CC2)C[C@@H]1C ZINC001161493745 866711524 /nfs/dbraw/zinc/71/15/24/866711524.db2.gz HDTDJIHJANMAFS-NSHDSACASA-N 1 0 321.381 1.185 20 5 DDBDRO C[C@@H]([NH3+])CC(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC001333731097 866970057 /nfs/dbraw/zinc/97/00/57/866970057.db2.gz ORRKMKXQBDFXDV-SSDOTTSWSA-N 1 0 316.155 1.711 20 5 DDBDRO C[NH+]1CCN(CCNc2ncc([N+](=O)[O-])c3ccccc32)CC1 ZINC001333861921 867088357 /nfs/dbraw/zinc/08/83/57/867088357.db2.gz OWLBJHVQXSIZNB-UHFFFAOYSA-N 1 0 315.377 1.802 20 5 DDBDRO O=C(NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1cc(F)c[nH]1 ZINC001162724856 867769915 /nfs/dbraw/zinc/76/99/15/867769915.db2.gz VMCJIPWVBJAXGY-UHFFFAOYSA-N 1 0 320.324 1.972 20 5 DDBDRO O=[N+]([O-])c1c(Cl)nc(Cl)nc1N[C@@H]1C=C[C@@H]2C[NH2+]C[C@@H]12 ZINC001162795402 867828809 /nfs/dbraw/zinc/82/88/09/867828809.db2.gz VSOGBJOUZJALPS-FSDSQADBSA-N 1 0 316.148 1.878 20 5 DDBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N[C@@H]1C=C[C@H]2C[NH2+]C[C@@H]21 ZINC001162798942 867832505 /nfs/dbraw/zinc/83/25/05/867832505.db2.gz VWXRWRPRRMSIQJ-TVYUQYBPSA-N 1 0 318.333 1.352 20 5 DDBDRO Nc1ccnc(NC[C@H]2CCC3(CC[NH2+]CC3)CO2)c1[N+](=O)[O-] ZINC001162957319 867947560 /nfs/dbraw/zinc/94/75/60/867947560.db2.gz KYIZASXSAWUKCO-LLVKDONJSA-N 1 0 321.381 1.533 20 5 DDBDRO COC(=O)c1ccnc(NC2CC3(C2)CCC[NH2+]C3)c1[N+](=O)[O-] ZINC001162981606 867971913 /nfs/dbraw/zinc/97/19/13/867971913.db2.gz DCFUDWJKIHQJTF-UHFFFAOYSA-N 1 0 320.349 1.721 20 5 DDBDRO O=[N+]([O-])c1cc(N[C@H]2COCCC23C[NH2+]C3)cc2cccnc21 ZINC001163079578 868063362 /nfs/dbraw/zinc/06/33/62/868063362.db2.gz OQOQYZASABLARX-AWEZNQCLSA-N 1 0 314.345 1.933 20 5 DDBDRO O=[N+]([O-])c1ccnc(Cl)c1NCC[C@@H]1CCOC12C[NH2+]C2 ZINC001163086388 868073418 /nfs/dbraw/zinc/07/34/18/868073418.db2.gz AOQDIOAAQCQSAE-SECBINFHSA-N 1 0 312.757 1.824 20 5 DDBDRO CN(CCC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)c1ccon1 ZINC001322429357 868166401 /nfs/dbraw/zinc/16/64/01/868166401.db2.gz YPMGJBRJHPIZPN-UHFFFAOYSA-N 1 0 324.362 1.896 20 5 DDBDRO Nc1nc(-n2cnc(-c3ccc(C[NH3+])cc3)c2)ccc1[N+](=O)[O-] ZINC001163218254 868225086 /nfs/dbraw/zinc/22/50/86/868225086.db2.gz JJAOHMBDBNDNDM-UHFFFAOYSA-N 1 0 310.317 1.883 20 5 DDBDRO COc1cnc(NC[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)cc1[N+](=O)[O-] ZINC001163277388 868299650 /nfs/dbraw/zinc/29/96/50/868299650.db2.gz FNGSKQAGGBCWTE-IAQYHMDHSA-N 1 0 322.365 1.569 20 5 DDBDRO COc1cc(N[C@H]2CCO[C@@]3(CC[NH2+]C3)C2)cnc1[N+](=O)[O-] ZINC001163327005 868357442 /nfs/dbraw/zinc/35/74/42/868357442.db2.gz IKYQKGAFEYUSJW-HZMBPMFUSA-N 1 0 308.338 1.321 20 5 DDBDRO O=[N+]([O-])c1ccc(N[C@H]2C[NH2+][C@@H]3CCO[C@@H]32)c2ccncc21 ZINC001163342526 868373234 /nfs/dbraw/zinc/37/32/34/868373234.db2.gz RSFVMPGDBMFLDS-IPYPFGDCSA-N 1 0 300.318 1.684 20 5 DDBDRO COC(=O)c1ncc([N+](=O)[O-])c(C)c1N[C@H]1C[NH+]2CCC1CC2 ZINC001163393225 868412526 /nfs/dbraw/zinc/41/25/26/868412526.db2.gz QVPBYYUSCDUMIT-NSHDSACASA-N 1 0 320.349 1.591 20 5 DDBDRO Cc1cc(C[NH3+])nn1-c1nc(C2CC2)nc(Cl)c1[N+](=O)[O-] ZINC001163978035 868839857 /nfs/dbraw/zinc/83/98/57/868839857.db2.gz OVPMGFPJHJGCND-UHFFFAOYSA-N 1 0 308.729 1.868 20 5 DDBDRO Cc1nc(N2CC[C@H]([NH3+])C2)c([N+](=O)[O-])c(C)c1Br ZINC001164286799 869088345 /nfs/dbraw/zinc/08/83/45/869088345.db2.gz YJVADYVKXNWWBU-QMMMGPOBSA-N 1 0 315.171 1.907 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CCNc2ncccn2)cc1 ZINC001336722634 869108799 /nfs/dbraw/zinc/10/87/99/869108799.db2.gz LEBKCTZJHIABPN-CYBMUJFWSA-N 1 0 303.322 1.120 20 5 DDBDRO CCOC(=O)c1ccnc(N2C[C@@H](C[NH3+])CC[C@@H]2C)c1[N+](=O)[O-] ZINC001164474285 869219315 /nfs/dbraw/zinc/21/93/15/869219315.db2.gz OWCYFJSXUZPYLP-WDEREUQCSA-N 1 0 322.365 1.730 20 5 DDBDRO COc1cc(C)nc(N2CC[C@]3(C2)CCC[NH2+]C3)c1[N+](=O)[O-] ZINC001165236855 869455485 /nfs/dbraw/zinc/45/54/85/869455485.db2.gz NDUDARJHGQGNEL-OAHLLOKOSA-N 1 0 306.366 1.887 20 5 DDBDRO C[N@@H+]1CCC[C@H](CCNc2cc([N+](=O)[O-])c3nncn3c2)C1 ZINC001165290400 869499053 /nfs/dbraw/zinc/49/90/53/869499053.db2.gz SPTDNBHTWVVREL-LLVKDONJSA-N 1 0 304.354 1.781 20 5 DDBDRO [NH3+][C@H]1[C@H]2CN(c3nc(C(F)(F)F)nc(Cl)c3[N+](=O)[O-])C[C@@H]12 ZINC001165385121 869558887 /nfs/dbraw/zinc/55/88/87/869558887.db2.gz NNCHRFXZUNLOCV-ZXFHETKHSA-N 1 0 323.662 1.450 20 5 DDBDRO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)COc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC001337836247 869651768 /nfs/dbraw/zinc/65/17/68/869651768.db2.gz OTYUDNUGSJGCBD-NILFDRSVSA-N 1 0 319.361 1.430 20 5 DDBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@]12CCC[C@H]1C[NH2+]C2 ZINC001338472813 869998664 /nfs/dbraw/zinc/99/86/64/869998664.db2.gz DMCDFIDGFDDYQF-BBRMVZONSA-N 1 0 318.377 1.579 20 5 DDBDRO COC(=O)C1(Nc2cc([N+](=O)[O-])c(OC)nc2C)CC[NH2+]CC1 ZINC001166954264 870415580 /nfs/dbraw/zinc/41/55/80/870415580.db2.gz FTPJSKYIDNAZQI-UHFFFAOYSA-N 1 0 324.337 1.014 20 5 DDBDRO CN(C[C@@H]1CC[NH2+]C1)c1nc(Cl)nc(Cl)c1[N+](=O)[O-] ZINC001166955384 870417972 /nfs/dbraw/zinc/41/79/72/870417972.db2.gz UPHSKVMEYJWOMA-ZCFIWIBFSA-N 1 0 306.153 1.737 20 5 DDBDRO COc1c(O)ccc(C[NH2+]CCc2cnc(C)cn2)c1[N+](=O)[O-] ZINC001308805035 871530647 /nfs/dbraw/zinc/53/06/47/871530647.db2.gz QPRFFNBGFVPPDQ-UHFFFAOYSA-N 1 0 318.333 1.740 20 5 DDBDRO O=C([C@H]1[NH2+]CC12CCOCC2)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001341294381 871595880 /nfs/dbraw/zinc/59/58/80/871595880.db2.gz YLXMAKZBWKTCSP-CQSZACIVSA-N 1 0 317.345 1.206 20 5 DDBDRO CCN1CCN(C(=O)c2cc([N+](=O)[O-])ccc2NC)[C@@H](C)C1 ZINC001341741368 871799398 /nfs/dbraw/zinc/79/93/98/871799398.db2.gz DPSUNRURBOALAY-NSHDSACASA-N 1 0 306.366 1.803 20 5 DDBDRO C[NH2+]CCOCCNC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001342303894 872138190 /nfs/dbraw/zinc/13/81/90/872138190.db2.gz XUWUOLOICBIKKK-KBPBESRZSA-N 1 0 307.350 1.051 20 5 DDBDRO COc1cc(C(=O)N2CC[C@@H](C[NH3+])[C@@H](C)C2)cc([N+](=O)[O-])c1C ZINC001342642629 872314242 /nfs/dbraw/zinc/31/42/42/872314242.db2.gz FBDCWFJVIYINBJ-JQWIXIFHSA-N 1 0 321.377 1.969 20 5 DDBDRO C[C@@H](COC(=O)CCC(C)(C)[N+](=O)[O-])C[NH+]1CCOCC1 ZINC001344814041 873128854 /nfs/dbraw/zinc/12/88/54/873128854.db2.gz FYNSATDNDRWOTH-GFCCVEGCSA-N 1 0 302.371 1.333 20 5 DDBDRO Cc1cc(NC(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)cc([N+](=O)[O-])c1 ZINC001344874907 873157302 /nfs/dbraw/zinc/15/73/02/873157302.db2.gz IHPKLVADFJJQTG-TXEJJXNPSA-N 1 0 304.350 1.929 20 5 DDBDRO CC(C)Cn1c(C[N+](=O)[O-])nnc1N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC001347599881 874206462 /nfs/dbraw/zinc/20/64/62/874206462.db2.gz LWNNGFMJSUECTR-SWLSCSKDSA-N 1 0 322.413 1.099 20 5 DDBDRO CC[NH+](CC)CC[C@H](C)NC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC001347662477 874234883 /nfs/dbraw/zinc/23/48/83/874234883.db2.gz WUDBABPOOSPZJY-JTQLQIEISA-N 1 0 309.370 1.422 20 5 DDBDRO CCn1c(CCC[N+](=O)[O-])nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001352294928 876682446 /nfs/dbraw/zinc/68/24/46/876682446.db2.gz QFZPOKUWFDQVCC-UHFFFAOYSA-N 1 0 324.429 1.428 20 5 DDBDRO Cc1cncc([N+](=O)[O-])c1NC(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001352915741 877006228 /nfs/dbraw/zinc/00/62/28/877006228.db2.gz DJLQETHWDVNUFU-LBPRGKRZSA-N 1 0 319.365 1.422 20 5 DDBDRO C[C@@H](NC(=O)[C@H]1[NH2+]CC12CCOCC2)c1cccc([N+](=O)[O-])c1 ZINC001353071011 877099210 /nfs/dbraw/zinc/09/92/10/877099210.db2.gz GANYBOUPMBUAOF-BXUZGUMPSA-N 1 0 319.361 1.541 20 5 DDBDRO COc1ccc(CNC(=O)C23CCC(CC2)[NH2+]3)cc1[N+](=O)[O-] ZINC001353211366 877189912 /nfs/dbraw/zinc/18/99/12/877189912.db2.gz AVYCBRLMONZHNO-UHFFFAOYSA-N 1 0 305.334 1.504 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1C[C@H](C)OC[C@H]1C[C@H]2CC[NH2+]C[C@@H]2O1 ZINC001217872894 877345496 /nfs/dbraw/zinc/34/54/96/877345496.db2.gz VZBDIXRHIAKZMR-ASEORRQLSA-N 1 0 324.381 1.272 20 5 DDBDRO CC(C)(C)c1ccc(O[C@@H]2CN3C[C@H]2[NH2+]CC3)c([N+](=O)[O-])c1 ZINC001218110212 877400474 /nfs/dbraw/zinc/40/04/74/877400474.db2.gz VKTVEGSESSOEIP-IUODEOHRSA-N 1 0 305.378 1.927 20 5 DDBDRO Nc1cc2nc3ccccc3nc2cc1NC(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001218856330 877771140 /nfs/dbraw/zinc/77/11/40/877771140.db2.gz BKJJUMAXTAQZLA-FVMDXXJSSA-N 1 0 323.356 1.027 20 5 DDBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[NH2+]C[C@H]1C ZINC001354684260 878152275 /nfs/dbraw/zinc/15/22/75/878152275.db2.gz ZLXZLYHHOJFDLM-ZJUUUORDSA-N 1 0 309.391 1.902 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H]1COC2(C[NH2+]C2)C1 ZINC001357845984 880225377 /nfs/dbraw/zinc/22/53/77/880225377.db2.gz JCARYIODZTUGQZ-NSHDSACASA-N 1 0 305.334 1.072 20 5 DDBDRO O=C(N[C@H]1C[NH+]2CCC1CC2)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC001358452686 880435421 /nfs/dbraw/zinc/43/54/21/880435421.db2.gz WIQQISMNYAKBCP-HNNXBMFYSA-N 1 0 314.345 1.900 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)OCc1nccc2ccccc21 ZINC001223140219 880850012 /nfs/dbraw/zinc/85/00/12/880850012.db2.gz OKMRFLUAHKPLOE-CQSZACIVSA-N 1 0 303.382 1.735 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)OCc1nc(-c2ccccc2)no1 ZINC001223193859 880869580 /nfs/dbraw/zinc/86/95/80/880869580.db2.gz GSBGWRSRBFGVRR-CYBMUJFWSA-N 1 0 320.369 1.237 20 5 DDBDRO COC(=O)[C@@H](O[C@@H]1C[NH+]2CCC1CC2)c1ccccc1[N+](=O)[O-] ZINC001223645061 881040924 /nfs/dbraw/zinc/04/09/24/881040924.db2.gz ZLNSTIKYMUMGGI-CABCVRRESA-N 1 0 320.345 1.920 20 5 DDBDRO Cc1cc(OC(=O)C[C@@H](O)C[N+](C)(C)C)cc2scnc21 ZINC001228944767 883741863 /nfs/dbraw/zinc/74/18/63/883741863.db2.gz OMAKVOZHCZMRMW-LLVKDONJSA-N 1 0 309.411 1.967 20 5 DDBDRO C[C@@H](C[N+](C)(C)C)Oc1n[nH]c(=O)c2cccc([N+](=O)[O-])c21 ZINC001229368125 883949433 /nfs/dbraw/zinc/94/94/33/883949433.db2.gz WANXMVHXXHZJEM-VIFPVBQESA-O 1 0 307.330 1.717 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cc(-c2ccccc2)[nH]n1 ZINC001229437547 883985028 /nfs/dbraw/zinc/98/50/28/883985028.db2.gz HVQIGCJAJIFCGT-CYBMUJFWSA-N 1 0 304.370 1.439 20 5 DDBDRO C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@@H]2Oc1nc2c[nH]cc([N+](=O)[O-])c-2n1 ZINC001230231463 884382016 /nfs/dbraw/zinc/38/20/16/884382016.db2.gz KKVKIWCBEQOFRM-WDAIWFPHSA-N 1 0 317.349 1.975 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cc(=O)[nH]c2sccc21 ZINC001233765658 887296449 /nfs/dbraw/zinc/29/64/49/887296449.db2.gz HXCUUXAHLYLFJL-SECBINFHSA-O 1 0 311.383 1.365 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]3CCNC[C@@H]3F)CC2)cc1 ZINC001246085801 892408329 /nfs/dbraw/zinc/40/83/29/892408329.db2.gz IZMYRNDSEVCMNT-HOTGVXAUSA-N 1 0 322.384 1.853 20 5 DDBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@H]2C[NH2+][C@@H]3CCO[C@@H]32)n1 ZINC001247950628 893493493 /nfs/dbraw/zinc/49/34/93/893493493.db2.gz SOKUJWQUTCNOFK-VAOFZXAKSA-N 1 0 321.268 1.023 20 5 DDBDRO C[NH+](C)[C@@H]1CCCC[C@@H]1Nc1ccc2ncc([N+](=O)[O-])n2n1 ZINC001253935917 896162163 /nfs/dbraw/zinc/16/21/63/896162163.db2.gz WRFCGDPPXVACTH-WDEREUQCSA-N 1 0 304.354 1.922 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C3(CCO)COC3)CC2)cc1 ZINC001254466840 896453927 /nfs/dbraw/zinc/45/39/27/896453927.db2.gz 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CCN(CC)C(=O)[C@H](C)[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254581437 896514054 /nfs/dbraw/zinc/51/40/54/896514054.db2.gz KHDRLJQSWUALOZ-FZMZJTMJSA-N 1 0 305.378 1.909 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]Cc1cc3n(n1)CCCO3)C2 ZINC001254599659 896524641 /nfs/dbraw/zinc/52/46/41/896524641.db2.gz OBBXGRAPWVEQPF-CYBMUJFWSA-N 1 0 314.345 1.831 20 5 DDBDRO CCc1nocc1C[N@H+](C)CCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001280814363 897611555 /nfs/dbraw/zinc/61/15/55/897611555.db2.gz NSIMVADBPQXVNY-TZMCWYRMSA-N 1 0 324.381 1.183 20 5 DDBDRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2C[N@H+](CC[N+](=O)[O-])C[C@@H]21 ZINC001262256056 900055667 /nfs/dbraw/zinc/05/56/67/900055667.db2.gz DYEHYZDGVASTLZ-RWMBFGLXSA-N 1 0 313.398 1.888 20 5 DDBDRO C[C@@H](C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)Cn1ccnc1 ZINC001262562559 900245661 /nfs/dbraw/zinc/24/56/61/900245661.db2.gz DZFCCXBRPPIPQB-WFASDCNBSA-N 1 0 304.350 1.751 20 5 DDBDRO C[C@@H]1CN(CC[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@@H](C)CO1 ZINC001262569069 900253107 /nfs/dbraw/zinc/25/31/07/900253107.db2.gz PCLITFHSACIPMV-WOSRLPQWSA-N 1 0 323.393 1.327 20 5 DDBDRO C[C@@H](CNC(=O)NCC[C@@H]1CC[NH2+]C1)c1ccccc1[N+](=O)[O-] ZINC001262584828 900262016 /nfs/dbraw/zinc/26/20/16/900262016.db2.gz MLDYQLFSOHWDSX-STQMWFEESA-N 1 0 320.393 1.997 20 5 DDBDRO C[N@@H+]1C[C@@]23CN(C(=O)c4ccc([N+](=O)[O-])[nH]4)C[C@]2(C1)CCCC3 ZINC001262662204 900290936 /nfs/dbraw/zinc/29/09/36/900290936.db2.gz UIPMSKXWWUVDIU-IYBDPMFKSA-N 1 0 318.377 1.871 20 5 DDBDRO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)NCc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC001263074193 900482432 /nfs/dbraw/zinc/48/24/32/900482432.db2.gz ZQSAPGJGYPWFFI-IHRRRGAJSA-N 1 0 318.377 1.734 20 5 DDBDRO O=C([C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC001263108546 900502231 /nfs/dbraw/zinc/50/22/31/900502231.db2.gz APWRISDKAWYQRN-MIGQKNRLSA-N 1 0 315.373 1.909 20 5 DDBDRO C[NH2+]C[C@@H](O)[C@H](C)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001263111106 900504203 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FNDCYKJGLQZSMK-DGAVXFQQSA-N 1 0 306.366 1.802 20 5 DDBDRO CCc1n[nH]c(C(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000278364829 214119149 /nfs/dbraw/zinc/11/91/49/214119149.db2.gz HUTNRHDWPRLVOG-SNVBAGLBSA-N 1 0 323.397 1.683 20 5 DDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000278479700 214179826 /nfs/dbraw/zinc/17/98/26/214179826.db2.gz FDBJANNHEVNMMS-UHFFFAOYSA-N 1 0 318.377 1.781 20 5 DDBDRO C[C@H](C(=O)NC(N)=O)[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451543173 231122686 /nfs/dbraw/zinc/12/26/86/231122686.db2.gz BDKDARNXQCSYSH-PWSUYJOCSA-N 1 0 320.349 1.358 20 5 DDBDRO CC[C@@H]([NH2+]C1(C(=O)NCCOC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000414208058 529680595 /nfs/dbraw/zinc/68/05/95/529680595.db2.gz KXXKFPDFBOJPNF-CQSZACIVSA-N 1 0 321.377 1.931 20 5 DDBDRO CC[NH2+]CCCNC(=O)c1cc(C(=O)OCC)cc([N+](=O)[O-])c1 ZINC000563705695 303971840 /nfs/dbraw/zinc/97/18/40/303971840.db2.gz FWXJGIQUVXLFQZ-UHFFFAOYSA-N 1 0 323.349 1.501 20 5 DDBDRO COC[C@@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000181567592 199318835 /nfs/dbraw/zinc/31/88/35/199318835.db2.gz RSUDBOKDTPZQTD-CQSZACIVSA-N 1 0 307.350 1.572 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)C[C@@H]21 ZINC000451624120 529798155 /nfs/dbraw/zinc/79/81/55/529798155.db2.gz MKXUFPLUBNGDHP-YGRLFVJLSA-N 1 0 301.350 1.607 20 5 DDBDRO C[N@@H+]1CC[C@](O)(CNc2ncc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000413232434 529810544 /nfs/dbraw/zinc/81/05/44/529810544.db2.gz NGHKJMSHALDTCA-NSHDSACASA-N 1 0 320.271 1.487 20 5 DDBDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000266191720 282300906 /nfs/dbraw/zinc/30/09/06/282300906.db2.gz MMRWKOBSPZODQD-AWEZNQCLSA-N 1 0 305.378 1.938 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(C)CCC[NH3+])c1C ZINC000156863580 290720043 /nfs/dbraw/zinc/72/00/43/290720043.db2.gz QJTNOHRSOZLBIZ-UHFFFAOYSA-N 1 0 301.368 1.181 20 5 DDBDRO C[NH2+]CCNC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000418320135 529975770 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1.760 20 5 DDBDRO O=c1onc(-c2cccc([N+](=O)[O-])c2)n1CC[C@@H]1CCC[NH2+]C1 ZINC000564451023 303998518 /nfs/dbraw/zinc/99/85/18/303998518.db2.gz WIEKXSYJLWIZCZ-NSHDSACASA-N 1 0 318.333 1.801 20 5 DDBDRO C[C@@H](CN1CCOCC1)[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000279785207 215143266 /nfs/dbraw/zinc/14/32/66/215143266.db2.gz UWXOSIBUIBNCBP-BBRMVZONSA-N 1 0 323.393 1.281 20 5 DDBDRO CCOC1CC([N@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000287000835 219263773 /nfs/dbraw/zinc/26/37/73/219263773.db2.gz QBKCTQBSSWMQDW-NPCAHTBFSA-N 1 0 324.377 1.834 20 5 DDBDRO C[NH+](C)C1(CNC(=O)c2c(N)cccc2[N+](=O)[O-])CCOCC1 ZINC000272505910 209914897 /nfs/dbraw/zinc/91/48/97/209914897.db2.gz UDVQSFSQCLOCFR-UHFFFAOYSA-N 1 0 322.365 1.018 20 5 DDBDRO Cc1n[nH]c(C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000265988618 186350488 /nfs/dbraw/zinc/35/04/88/186350488.db2.gz MCRHJEZBCNONIT-LLVKDONJSA-N 1 0 307.354 1.184 20 5 DDBDRO Cc1ncsc1C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000564844701 304019051 /nfs/dbraw/zinc/01/90/51/304019051.db2.gz OSAPGBDTNPQUAL-LBPRGKRZSA-N 1 0 323.374 1.889 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000617352631 363066757 /nfs/dbraw/zinc/06/67/57/363066757.db2.gz JAILZQAVGAUBSM-LBPRGKRZSA-N 1 0 319.361 1.818 20 5 DDBDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000027771935 352222549 /nfs/dbraw/zinc/22/25/49/352222549.db2.gz MCHRDFWGGFSXBU-ZDUSSCGKSA-N 1 0 321.377 1.964 20 5 DDBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)[NH+](C)C ZINC000033093532 352288191 /nfs/dbraw/zinc/28/81/91/352288191.db2.gz ICCYSKAWBDYESX-LBPRGKRZSA-N 1 0 320.393 1.875 20 5 DDBDRO COc1ccc(C(=O)NC[C@@H](C)[N@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000057719406 352825825 /nfs/dbraw/zinc/82/58/25/352825825.db2.gz FXRFCIXWYWMHHG-SNVBAGLBSA-N 1 0 307.350 1.816 20 5 DDBDRO CCN1CC[NH+](C[C@@H](C)CNc2ccc([N+](=O)[O-])cn2)CC1 ZINC000060380145 352870032 /nfs/dbraw/zinc/87/00/32/352870032.db2.gz MDJQUGRPNNZXJH-ZDUSSCGKSA-N 1 0 307.398 1.675 20 5 DDBDRO C[NH+](C)CCn1cc(Nc2nc3sccn3c2[N+](=O)[O-])cn1 ZINC000057854516 352831121 /nfs/dbraw/zinc/83/11/21/352831121.db2.gz OORPUNKDUJSANN-UHFFFAOYSA-N 1 0 321.366 1.806 20 5 DDBDRO CCC[NH+]1CCC(NC(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000063665723 352918848 /nfs/dbraw/zinc/91/88/48/352918848.db2.gz BCJRXJOIHFTLNU-UHFFFAOYSA-N 1 0 309.370 1.172 20 5 DDBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000069475540 353161982 /nfs/dbraw/zinc/16/19/82/353161982.db2.gz IFIPFSOOIMOGSN-ZDUSSCGKSA-N 1 0 321.377 1.822 20 5 DDBDRO CN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@H]1CC[NH2+]C1 ZINC000564988169 304033269 /nfs/dbraw/zinc/03/32/69/304033269.db2.gz VERHOXIORCDRNV-LBPRGKRZSA-N 1 0 303.322 1.439 20 5 DDBDRO C[NH2+]C[C@H](C)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000174341475 198322553 /nfs/dbraw/zinc/32/25/53/198322553.db2.gz QUECOFKXPGBGMY-LBPRGKRZSA-N 1 0 306.366 1.099 20 5 DDBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)C[C@@H]1COc2ccccc2O1 ZINC000174809290 198387789 /nfs/dbraw/zinc/38/77/89/198387789.db2.gz RCDXYNRODRTKOP-CYBMUJFWSA-N 1 0 318.333 1.563 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NCC1(O)CC[NH+](C)CC1 ZINC000080881357 353633920 /nfs/dbraw/zinc/63/39/20/353633920.db2.gz HKFLCAAQJZGGSV-UHFFFAOYSA-N 1 0 307.350 1.090 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1N1CCCN(CC[NH+](C)C)CC1 ZINC000080611828 353618197 /nfs/dbraw/zinc/61/81/97/353618197.db2.gz PXHKPAGAJQNQLU-UHFFFAOYSA-N 1 0 306.410 1.977 20 5 DDBDRO COC(=O)CC[N@@H+]1CCN(c2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000089265529 353763500 /nfs/dbraw/zinc/76/35/00/353763500.db2.gz JCWQSDFUPDQIFZ-GFCCVEGCSA-N 1 0 307.350 1.668 20 5 DDBDRO C[C@@]1(C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CCC[NH2+]1 ZINC000117543122 353994182 /nfs/dbraw/zinc/99/41/82/353994182.db2.gz AAXBKPBEAOHAGM-INIZCTEOSA-N 1 0 318.377 1.386 20 5 DDBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc([N+](=O)[O-])c1OC ZINC000142976410 354146855 /nfs/dbraw/zinc/14/68/55/354146855.db2.gz DGZGOHQYWOZCRA-LLVKDONJSA-N 1 0 307.350 1.818 20 5 DDBDRO COc1cc(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000160961641 354241812 /nfs/dbraw/zinc/24/18/12/354241812.db2.gz JAVAQVYFLLLXKO-NXEZZACHSA-N 1 0 323.349 1.612 20 5 DDBDRO C[C@H]([NH3+])[C@@H]1CN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CCO1 ZINC000156423962 354219633 /nfs/dbraw/zinc/21/96/33/354219633.db2.gz FYXYLBDTLRPUHB-KWQFWETISA-N 1 0 313.741 1.436 20 5 DDBDRO C[NH+](C)[C@@H]1CCCN(C(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000277038434 213254843 /nfs/dbraw/zinc/25/48/43/213254843.db2.gz GJIACAPEFIGGRM-LLVKDONJSA-N 1 0 307.354 1.938 20 5 DDBDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000346192522 283017369 /nfs/dbraw/zinc/01/73/69/283017369.db2.gz NLMHDWPAINVCFG-DCAQKATOSA-N 1 0 307.354 1.120 20 5 DDBDRO C[C@H](CC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000320499820 354527238 /nfs/dbraw/zinc/52/72/38/354527238.db2.gz XVKQCOXWCMAKHV-CZUORRHYSA-N 1 0 318.377 1.936 20 5 DDBDRO CNc1ccc(C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000322570963 354537643 /nfs/dbraw/zinc/53/76/43/354537643.db2.gz FUMKGRKYHOUMSJ-STQMWFEESA-N 1 0 318.377 1.993 20 5 DDBDRO CC[C@@H]1CN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000317578323 354511913 /nfs/dbraw/zinc/51/19/13/354511913.db2.gz MUJALVROMHENII-NEPJUHHUSA-N 1 0 306.366 1.593 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000320116857 354524581 /nfs/dbraw/zinc/52/45/81/354524581.db2.gz OOMXOIHKIISLFJ-NXEZZACHSA-N 1 0 301.368 1.307 20 5 DDBDRO C[C@H](C[NH+](C)C)NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000346217923 283033825 /nfs/dbraw/zinc/03/38/25/283033825.db2.gz IYIGMBYGHJEKLC-SECBINFHSA-N 1 0 318.333 1.529 20 5 DDBDRO O=[N+]([O-])c1cnc2ccccc2c1N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000405243341 354677962 /nfs/dbraw/zinc/67/79/62/354677962.db2.gz XONCDGIGPZSKNX-NWDGAFQWSA-N 1 0 314.345 1.398 20 5 DDBDRO COc1cc(C(=O)N2CCC3(C[NH+](C)C3)C2)cc([N+](=O)[O-])c1C ZINC000590335680 355073471 /nfs/dbraw/zinc/07/34/71/355073471.db2.gz ULGDUUOYNONVLC-UHFFFAOYSA-N 1 0 319.361 1.690 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000590548465 355110817 /nfs/dbraw/zinc/11/08/17/355110817.db2.gz FBVBGUNVRJWQIY-OLZOCXBDSA-N 1 0 319.361 1.184 20 5 DDBDRO O=C1NC2(CO1)CC[NH+](C[C@H](O)c1cccc([N+](=O)[O-])c1)CC2 ZINC000495141154 235131111 /nfs/dbraw/zinc/13/11/11/235131111.db2.gz RLXHNDRAKAEGBD-ZDUSSCGKSA-N 1 0 321.333 1.203 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@H]([NH+](C)C)[C@H]1C ZINC000590566985 355115898 /nfs/dbraw/zinc/11/58/98/355115898.db2.gz WGGABZDGDXSHPQ-PWSUYJOCSA-N 1 0 309.370 1.041 20 5 DDBDRO C[N@@H+]1C[C@H]2CCN(C(=O)CCOc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000590446889 355099236 /nfs/dbraw/zinc/09/92/36/355099236.db2.gz WVSFCDSZUZUFFU-OCCSQVGLSA-N 1 0 319.361 1.526 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(C)([NH3+])CC1 ZINC000591270440 355274602 /nfs/dbraw/zinc/27/46/02/355274602.db2.gz MCTGSJQEHWTHLE-UHFFFAOYSA-N 1 0 308.338 1.949 20 5 DDBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000591358832 355299826 /nfs/dbraw/zinc/29/98/26/355299826.db2.gz IZWXAKHDWKDIKZ-CQSZACIVSA-N 1 0 320.393 1.921 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CCc2nccs2)c1 ZINC000591728754 355372909 /nfs/dbraw/zinc/37/29/09/355372909.db2.gz CHFQGSISFWPOTE-LBPRGKRZSA-N 1 0 323.374 1.623 20 5 DDBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000592217841 355542405 /nfs/dbraw/zinc/54/24/05/355542405.db2.gz YPQFLRPSFWZWQO-QWRGUYRKSA-N 1 0 324.385 1.264 20 5 DDBDRO CCCN(C(=O)Nc1ccncc1[N+](=O)[O-])[C@@H]1CC[N@H+](C)C1 ZINC000592247153 355547035 /nfs/dbraw/zinc/54/70/35/355547035.db2.gz SJQGRYPDKDTFAQ-LLVKDONJSA-N 1 0 307.354 1.360 20 5 DDBDRO C[NH+]1CCC2(CC1)CN(Cc1ccccc1[N+](=O)[O-])CCO2 ZINC000592181871 355526772 /nfs/dbraw/zinc/52/67/72/355526772.db2.gz IRNCQLMRJLBRHV-UHFFFAOYSA-N 1 0 305.378 1.891 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@@H]1CC[C@H](O)C1 ZINC000592431397 355581718 /nfs/dbraw/zinc/58/17/18/355581718.db2.gz LRDICTDUITYCHP-FRRDWIJNSA-N 1 0 310.350 1.085 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[NH2+]CC1(C)C ZINC000592473776 355592756 /nfs/dbraw/zinc/59/27/56/355592756.db2.gz NXMLRBCCBNAKJH-UHFFFAOYSA-N 1 0 306.366 1.526 20 5 DDBDRO CC(C)[C@H]1CN([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000592485212 355596329 /nfs/dbraw/zinc/59/63/29/355596329.db2.gz RKBLRNQMBGHIFD-TZMCWYRMSA-N 1 0 320.393 1.852 20 5 DDBDRO Cc1cc(S(=O)(=O)N2CC[NH2+]CC2(C)C)ccc1[N+](=O)[O-] ZINC000592373320 355569668 /nfs/dbraw/zinc/56/96/68/355569668.db2.gz ZQNKDUWHHZNQAY-UHFFFAOYSA-N 1 0 313.379 1.276 20 5 DDBDRO CN(Cc1cc([N+](=O)[O-])ccc1OC(F)F)[C@@H]1CC[NH2+]C1 ZINC000592427665 355580109 /nfs/dbraw/zinc/58/01/09/355580109.db2.gz OVVTVEIEPNKUDC-LLVKDONJSA-N 1 0 301.293 1.990 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592555246 355627193 /nfs/dbraw/zinc/62/71/93/355627193.db2.gz PIFGXLSEXYWLSL-STQMWFEESA-N 1 0 320.393 1.785 20 5 DDBDRO Cc1c(NC(=O)CC[N@@H+](C)[C@@H](C)CCO)cccc1[N+](=O)[O-] ZINC000593108010 355800890 /nfs/dbraw/zinc/80/08/90/355800890.db2.gz STKPXDNRAJWSEI-NSHDSACASA-N 1 0 309.366 1.935 20 5 DDBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+][C@@H](CO)CCF)OCCO2 ZINC000593689776 355968737 /nfs/dbraw/zinc/96/87/37/355968737.db2.gz ROVJEEMMKQELBA-SNVBAGLBSA-N 1 0 300.286 1.176 20 5 DDBDRO O=C(NCCNc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[NH2+]CC1 ZINC000593902706 356050148 /nfs/dbraw/zinc/05/01/48/356050148.db2.gz URDDLEFDHZRWHD-LBPRGKRZSA-N 1 0 306.366 1.513 20 5 DDBDRO O=[N+]([O-])c1cnccc1N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000594599690 356260842 /nfs/dbraw/zinc/26/08/42/356260842.db2.gz NJOZULVXBCAIIC-CYBMUJFWSA-N 1 0 306.366 1.681 20 5 DDBDRO [NH3+]CCCCCn1cc(COc2ccccc2[N+](=O)[O-])nn1 ZINC000594652600 356275786 /nfs/dbraw/zinc/27/57/86/356275786.db2.gz UHRJIMGTKMDLGD-UHFFFAOYSA-N 1 0 305.338 1.894 20 5 DDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000594523793 356242307 /nfs/dbraw/zinc/24/23/07/356242307.db2.gz DFLQOQZHHHITBJ-JTQLQIEISA-N 1 0 320.271 1.626 20 5 DDBDRO Cc1ccc(C[NH2+]C[C@]2(OCCO)CCOC2)cc1[N+](=O)[O-] ZINC000594973500 356366554 /nfs/dbraw/zinc/36/65/54/356366554.db2.gz DAIAYEJSJRJNEN-OAHLLOKOSA-N 1 0 310.350 1.161 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CC[C@H](C(N)=O)C1 ZINC000595052050 356376546 /nfs/dbraw/zinc/37/65/46/356376546.db2.gz QIMOLWJIROXOQT-GARJFASQSA-N 1 0 307.350 1.908 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H]1CCCNC1=O ZINC000595050771 356376776 /nfs/dbraw/zinc/37/67/76/356376776.db2.gz KKZPUNSTTWVBOV-QWRGUYRKSA-N 1 0 307.350 1.780 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@]1(O)CCO[C@@H]1C ZINC000595053510 356376999 /nfs/dbraw/zinc/37/69/99/356376999.db2.gz KOXAJRMDEOYMEV-FIXISWKDSA-N 1 0 310.350 1.794 20 5 DDBDRO Cc1c([C@H](C)[NH2+]C[C@]2(OCCO)CCOC2)cccc1[N+](=O)[O-] ZINC000595077903 356378731 /nfs/dbraw/zinc/37/87/31/356378731.db2.gz KNHASIAKATZHRR-XJKSGUPXSA-N 1 0 324.377 1.722 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@]1(OCCO)CCOC1 ZINC000595077049 356378743 /nfs/dbraw/zinc/37/87/43/356378743.db2.gz FZXFUDGZLLGZDE-CJNGLKHVSA-N 1 0 324.377 1.722 20 5 DDBDRO O=C(Cn1cc([N+](=O)[O-])cn1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000595222578 356411423 /nfs/dbraw/zinc/41/14/23/356411423.db2.gz OFIIZUHVRFQLGU-ZDUSSCGKSA-N 1 0 321.381 1.030 20 5 DDBDRO O=C(Cn1cc([N+](=O)[O-])cn1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000595222577 356411526 /nfs/dbraw/zinc/41/15/26/356411526.db2.gz OFIIZUHVRFQLGU-CYBMUJFWSA-N 1 0 321.381 1.030 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC2CC1(C[NH3+])C2 ZINC000595231873 356412846 /nfs/dbraw/zinc/41/28/46/356412846.db2.gz DMHZXZFLNQBNNP-UHFFFAOYSA-N 1 0 320.349 1.949 20 5 DDBDRO [NH3+]C1(CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000595263725 356425341 /nfs/dbraw/zinc/42/53/41/356425341.db2.gz LNFAYLXYZQOGDZ-UHFFFAOYSA-N 1 0 306.366 1.708 20 5 DDBDRO CC(C)[C@H]([NH3+])CCNC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000595265374 356425953 /nfs/dbraw/zinc/42/59/53/356425953.db2.gz JDYWJJXEBYSKPJ-CQSZACIVSA-N 1 0 324.381 1.646 20 5 DDBDRO CN(C)S(=O)(=O)CC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000565215254 304054403 /nfs/dbraw/zinc/05/44/03/304054403.db2.gz AELGYJDBKOGELK-LBPRGKRZSA-N 1 0 313.379 1.063 20 5 DDBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])nc2C)C1 ZINC000081362764 192256846 /nfs/dbraw/zinc/25/68/46/192256846.db2.gz UIUOFNCWMXWGAW-CYBMUJFWSA-N 1 0 323.397 1.290 20 5 DDBDRO COc1ccc(OCC[N@@H+]2CC[C@@]3(O)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000595756416 356639041 /nfs/dbraw/zinc/63/90/41/356639041.db2.gz GJXQWCQHLPXKMF-XHDPSFHLSA-N 1 0 308.334 1.439 20 5 DDBDRO C[NH+](C)CCC[C@H]1CN(Cc2cc([O-])ccc2[N+](=O)[O-])CCO1 ZINC000595907154 356700683 /nfs/dbraw/zinc/70/06/83/356700683.db2.gz REDHPRKNCMTZAX-HNNXBMFYSA-N 1 0 323.393 1.843 20 5 DDBDRO CCOc1cc(C(=O)N[C@@H](C)C[NH2+]C)c([N+](=O)[O-])cc1OC ZINC000595982302 356735395 /nfs/dbraw/zinc/73/53/95/356735395.db2.gz HUXVDTWYMUJIDR-VIFPVBQESA-N 1 0 311.338 1.340 20 5 DDBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2F)CC[NH2+]1 ZINC000596015969 356747370 /nfs/dbraw/zinc/74/73/70/356747370.db2.gz LJRHCIGTUWYHGU-LLVKDONJSA-N 1 0 324.356 1.369 20 5 DDBDRO C[NH+](C)C[C@H](CO)Nc1c(Br)cccc1[N+](=O)[O-] ZINC000596240900 356828722 /nfs/dbraw/zinc/82/87/22/356828722.db2.gz BLKKDSKJUJWSMU-MRVPVSSYSA-N 1 0 318.171 1.692 20 5 DDBDRO C[C@H](CN1CC[NH+](C)CC1)Nc1c(Cl)cncc1[N+](=O)[O-] ZINC000596124584 356782313 /nfs/dbraw/zinc/78/23/13/356782313.db2.gz ZFPZINVOHHATHV-SNVBAGLBSA-N 1 0 313.789 1.113 20 5 DDBDRO CCN(C(=O)NCCc1ccccc1[N+](=O)[O-])[C@@H]1CC[N@H+](C)C1 ZINC000596420134 356873201 /nfs/dbraw/zinc/87/32/01/356873201.db2.gz XEPQBVFKNHBYKC-CQSZACIVSA-N 1 0 320.393 1.873 20 5 DDBDRO Cc1cnc(N[C@@H](C)CN(C)CCC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000596360428 356863524 /nfs/dbraw/zinc/86/35/24/356863524.db2.gz KKVFGZYPTNAOOZ-ZDUSSCGKSA-N 1 0 309.414 1.982 20 5 DDBDRO COc1cc(OCC(=O)N[C@H]2CCC[C@@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000237226771 202196926 /nfs/dbraw/zinc/19/69/26/202196926.db2.gz HWFLDTWBPGNENP-PWSUYJOCSA-N 1 0 323.349 1.226 20 5 DDBDRO C[C@]1(NC(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC[NH2+]C1 ZINC000597433003 357174158 /nfs/dbraw/zinc/17/41/58/357174158.db2.gz HGYIONVKXRMSTH-AWEZNQCLSA-N 1 0 308.338 1.025 20 5 DDBDRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000597922937 357382582 /nfs/dbraw/zinc/38/25/82/357382582.db2.gz HEHQTSLPPCTRTM-LLVKDONJSA-N 1 0 309.370 1.170 20 5 DDBDRO CCC[N@@H+]1CC[C@@H](NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000598342506 357545968 /nfs/dbraw/zinc/54/59/68/357545968.db2.gz OCWWWLZGKKAOOX-CYBMUJFWSA-N 1 0 309.341 1.877 20 5 DDBDRO COC(=O)c1ccnc(N2CC[C@@H]([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000598591802 357643891 /nfs/dbraw/zinc/64/38/91/357643891.db2.gz BZRSBMSSYHLPRA-LLVKDONJSA-N 1 0 320.349 1.451 20 5 DDBDRO COC(=O)c1ccnc(NC[C@@H]2CC[N@@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000598592795 357645289 /nfs/dbraw/zinc/64/52/89/357645289.db2.gz NFYWTOABGQUJHH-NSHDSACASA-N 1 0 322.365 1.919 20 5 DDBDRO COC(=O)c1ccnc(N2CC[C@]3(CC[N@H+](C)C3)C2)c1[N+](=O)[O-] ZINC000598627425 357660869 /nfs/dbraw/zinc/66/08/69/357660869.db2.gz PYRKGRUNHCLYLY-HNNXBMFYSA-N 1 0 320.349 1.308 20 5 DDBDRO C[C@H]1CCCN1C(=O)CC[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000347788940 283277733 /nfs/dbraw/zinc/27/77/33/283277733.db2.gz KMUVNKVVGLDORD-LBPRGKRZSA-N 1 0 318.377 1.749 20 5 DDBDRO CN(C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)[C@H]1CC[NH2+]C1 ZINC000179069958 198977692 /nfs/dbraw/zinc/97/76/92/198977692.db2.gz YFCCAMOQWMTZLI-LBPRGKRZSA-N 1 0 304.350 1.603 20 5 DDBDRO CC(C)(C)[C@@H](C[NH3+])NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598913574 357756596 /nfs/dbraw/zinc/75/65/96/357756596.db2.gz MTLYTWDKKOGVNO-LLVKDONJSA-N 1 0 308.338 1.023 20 5 DDBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1C[C@H](C(N)=O)C1 ZINC000599071315 357807735 /nfs/dbraw/zinc/80/77/35/357807735.db2.gz UJKHOLFQZBMACX-NHCYSSNCSA-N 1 0 320.349 1.165 20 5 DDBDRO CCN(CC[NH3+])S(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000599098982 357814988 /nfs/dbraw/zinc/81/49/88/357814988.db2.gz QASVEZXXZNOIEX-UHFFFAOYSA-N 1 0 301.368 1.181 20 5 DDBDRO COC(=O)[C@]1(OC)CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000599565998 357975704 /nfs/dbraw/zinc/97/57/04/357975704.db2.gz BBUPFEQEEALGLH-HNNXBMFYSA-N 1 0 324.333 1.238 20 5 DDBDRO NC(=O)[C@H]1CCCC[C@@H]1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000184794535 199766159 /nfs/dbraw/zinc/76/61/59/199766159.db2.gz NBUDTQURKVMDGH-RYUDHWBXSA-N 1 0 307.350 1.607 20 5 DDBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000599632391 357998709 /nfs/dbraw/zinc/99/87/09/357998709.db2.gz IIXWGNIOZSORMD-IFMYKAFSSA-N 1 0 324.402 1.959 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@H]1COCC[NH2+]1 ZINC000599601364 357989158 /nfs/dbraw/zinc/98/91/58/357989158.db2.gz PYBBBSCKELFUDX-NSHDSACASA-N 1 0 308.338 1.322 20 5 DDBDRO Cc1noc([C@@H]2OCC[C@@H]2[NH2+]CCc2ccc([N+](=O)[O-])cc2)n1 ZINC000599686191 358025366 /nfs/dbraw/zinc/02/53/66/358025366.db2.gz UPWUFSSWXFRIOF-UONOGXRCSA-N 1 0 318.333 1.949 20 5 DDBDRO C[C@@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1CCOCC1 ZINC000179858671 199089454 /nfs/dbraw/zinc/08/94/54/199089454.db2.gz QSEBYFDSWOLZII-IUODEOHRSA-N 1 0 324.377 1.739 20 5 DDBDRO Cc1c(NC(=O)C(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)cccc1[N+](=O)[O-] ZINC000599895515 358076930 /nfs/dbraw/zinc/07/69/30/358076930.db2.gz GVDGPJCVWDGQJU-GXSJLCMTSA-N 1 0 320.349 1.098 20 5 DDBDRO CCN(C(=O)CCn1cc([N+](=O)[O-])cn1)C1CC[NH+](C)CC1 ZINC000599986172 358096690 /nfs/dbraw/zinc/09/66/90/358096690.db2.gz PFGYSKQTHDTZTB-UHFFFAOYSA-N 1 0 309.370 1.124 20 5 DDBDRO CCOC(=O)CN(C)C(=O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180437598 199159414 /nfs/dbraw/zinc/15/94/14/199159414.db2.gz SWAYGLMQLKYRJG-NSHDSACASA-N 1 0 323.349 1.267 20 5 DDBDRO C[NH2+]CCN(C)C(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000237299613 202221795 /nfs/dbraw/zinc/22/17/95/202221795.db2.gz IMGOTWQQZFRVTQ-SECBINFHSA-N 1 0 315.757 1.693 20 5 DDBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])cnc1N)C[NH+]1CCCCC1 ZINC000180540937 199173118 /nfs/dbraw/zinc/17/31/18/199173118.db2.gz QLJQKZNSHZQSBY-NSHDSACASA-N 1 0 321.381 1.424 20 5 DDBDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000180552980 199175042 /nfs/dbraw/zinc/17/50/42/199175042.db2.gz SJGVEADVJFORGG-LLVKDONJSA-N 1 0 321.381 1.422 20 5 DDBDRO CCN(CC[NH3+])CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000600714551 358291655 /nfs/dbraw/zinc/29/16/55/358291655.db2.gz ABRJHOQTGMOZTF-UHFFFAOYSA-N 1 0 300.746 1.467 20 5 DDBDRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000237409726 202258538 /nfs/dbraw/zinc/25/85/38/202258538.db2.gz YMXDMSPKPPKELQ-CHWSQXEVSA-N 1 0 320.393 1.983 20 5 DDBDRO CCC(F)(F)C(C)(C)C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000600764136 358310990 /nfs/dbraw/zinc/31/09/90/358310990.db2.gz YDDMEWTTYHWSFM-LLVKDONJSA-N 1 0 320.340 1.813 20 5 DDBDRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000237424124 202260681 /nfs/dbraw/zinc/26/06/81/202260681.db2.gz HYRDKEZIGNZMNB-IUCAKERBSA-N 1 0 310.329 1.516 20 5 DDBDRO C[N@@H+]1CCCN(CCCNc2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000601109938 358405442 /nfs/dbraw/zinc/40/54/42/358405442.db2.gz WSEYAMIQMDYXBR-UHFFFAOYSA-N 1 0 311.361 1.568 20 5 DDBDRO O=[N+]([O-])c1cc(F)cnc1N1CC[NH+](C2CCOCC2)CC1 ZINC000601123351 358411500 /nfs/dbraw/zinc/41/15/00/358411500.db2.gz ALFFWUKTHDPMOC-UHFFFAOYSA-N 1 0 310.329 1.430 20 5 DDBDRO COCC[NH+]1CCN(c2ccnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000601100999 358401932 /nfs/dbraw/zinc/40/19/32/358401932.db2.gz JQITWFZUGLRYHB-UHFFFAOYSA-N 1 0 316.361 1.911 20 5 DDBDRO CS[C@@H]1CN(c2ncc(F)cc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000601136250 358416925 /nfs/dbraw/zinc/41/69/25/358416925.db2.gz YWXZNAYOZWAOOT-GHMZBOCLSA-N 1 0 300.359 1.611 20 5 DDBDRO C[C@@H]1CN(c2ccnc3ccc([N+](=O)[O-])cc32)CC[N@@H+]1CCO ZINC000601150110 358422692 /nfs/dbraw/zinc/42/26/92/358422692.db2.gz WHPMIOILKLYEPC-GFCCVEGCSA-N 1 0 316.361 1.646 20 5 DDBDRO CC1([NH+]2CCCC2)CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC000601738156 358672442 /nfs/dbraw/zinc/67/24/42/358672442.db2.gz KEYYMDRKMIDXJI-UHFFFAOYSA-N 1 0 307.354 1.408 20 5 DDBDRO [NH3+]C[C@@H]1CCN(CCn2cc([N+](=O)[O-])cn2)c2ccccc21 ZINC000601963027 358754899 /nfs/dbraw/zinc/75/48/99/358754899.db2.gz JBQIFTGHTGOJRY-LBPRGKRZSA-N 1 0 301.350 1.744 20 5 DDBDRO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000601975674 358762050 /nfs/dbraw/zinc/76/20/50/358762050.db2.gz MMJUBFRKRSHTNR-IYBDPMFKSA-N 1 0 303.362 1.595 20 5 DDBDRO CNC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1OC ZINC000348154476 283393559 /nfs/dbraw/zinc/39/35/59/283393559.db2.gz WDBZPOIYIRJCJF-QWHCGFSZSA-N 1 0 307.350 1.608 20 5 DDBDRO CC(C)(C[NH+]1CCOCC1)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000602068978 358800018 /nfs/dbraw/zinc/80/00/18/358800018.db2.gz CIVNESQFFVEVKY-UHFFFAOYSA-N 1 0 321.377 1.569 20 5 DDBDRO NC(=O)[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602427401 358969635 /nfs/dbraw/zinc/96/96/35/358969635.db2.gz GUBPGYRSBXYGLD-SECBINFHSA-N 1 0 317.267 1.921 20 5 DDBDRO COc1cccc(C(=O)N[C@H]2CC[NH2+]C23CCC3)c1[N+](=O)[O-] ZINC000602529219 359028300 /nfs/dbraw/zinc/02/83/00/359028300.db2.gz FGJQYOWHBPUFES-LBPRGKRZSA-N 1 0 305.334 1.618 20 5 DDBDRO COCCN1CCC[C@@H]1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602534690 359032089 /nfs/dbraw/zinc/03/20/89/359032089.db2.gz JGUFLMYEMAVPIG-MRXNPFEDSA-N 1 0 307.394 1.838 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]Cc3cocn3)CC2)cn1 ZINC000602548156 359038704 /nfs/dbraw/zinc/03/87/04/359038704.db2.gz QRWZXSURNCETBZ-UHFFFAOYSA-N 1 0 303.322 1.736 20 5 DDBDRO CO[C@@H]1C[NH2+][C@](C)(C(=O)N(C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000602444545 358980423 /nfs/dbraw/zinc/98/04/23/358980423.db2.gz PCJSAIXLTNEXJQ-WFASDCNBSA-N 1 0 307.350 1.320 20 5 DDBDRO CC[C@@H](C)[C@H](O)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602564864 359047202 /nfs/dbraw/zinc/04/72/02/359047202.db2.gz POLTUAJGZBBRBD-IUODEOHRSA-N 1 0 322.409 1.955 20 5 DDBDRO CNC(=O)[C@H](CCSC)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602662013 359108250 /nfs/dbraw/zinc/10/82/50/359108250.db2.gz AWPCFBFZLOFMRY-ZDUSSCGKSA-N 1 0 311.407 1.595 20 5 DDBDRO COc1cc(C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)cc([N+](=O)[O-])c1C ZINC000602593754 359059874 /nfs/dbraw/zinc/05/98/74/359059874.db2.gz MTMOBWXYIPECFH-BXKDBHETSA-N 1 0 307.350 1.579 20 5 DDBDRO COC(=O)[C@H](C)C[N@H+](CCn1c(C)ncc1[N+](=O)[O-])C1CC1 ZINC000602771406 359179109 /nfs/dbraw/zinc/17/91/09/359179109.db2.gz IVFRJIYGRSDWIS-SNVBAGLBSA-N 1 0 310.354 1.373 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@@H](Cc2cnn(C)c2)C1 ZINC000602778370 359185067 /nfs/dbraw/zinc/18/50/67/359185067.db2.gz AYXALHGQCISMIB-ZDUSSCGKSA-N 1 0 318.381 1.398 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@](CO)(C(C)C)C1 ZINC000602830174 359222093 /nfs/dbraw/zinc/22/20/93/359222093.db2.gz AEEPNBQADHWBHI-OAHLLOKOSA-N 1 0 310.398 1.830 20 5 DDBDRO C[C@@]12C[NH+](Cc3ccc(F)cc3[N+](=O)[O-])C[C@@]1(C)C(=O)NC2=O ZINC000602933463 359302979 /nfs/dbraw/zinc/30/29/79/359302979.db2.gz DGUOCFJVLKOXMI-GJZGRUSLSA-N 1 0 321.308 1.219 20 5 DDBDRO COC(=O)CC1([NH2+]CCOc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000565659016 304082928 /nfs/dbraw/zinc/08/29/28/304082928.db2.gz BVRFPDVNUXNAHU-UHFFFAOYSA-N 1 0 324.333 1.668 20 5 DDBDRO C[C@@](CO)([NH2+]CCO[C@@H]1CCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000602962377 359325368 /nfs/dbraw/zinc/32/53/68/359325368.db2.gz KCLKSMMDDYETHZ-CVEARBPZSA-N 1 0 324.377 1.935 20 5 DDBDRO CO[C@@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])[C@](C)(CO)C1 ZINC000602963638 359326566 /nfs/dbraw/zinc/32/65/66/359326566.db2.gz HPSSJNDNLGQSAH-WFASDCNBSA-N 1 0 310.350 1.445 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H](O)[C@H](C)C1 ZINC000186823146 200017385 /nfs/dbraw/zinc/01/73/85/200017385.db2.gz CQJOBKLCANJOJP-IUODEOHRSA-N 1 0 321.377 1.935 20 5 DDBDRO Cn1cc(CN2CC[NH2+]C[C@H]2c2ccccc2)c([N+](=O)[O-])n1 ZINC000603428281 359634272 /nfs/dbraw/zinc/63/42/72/359634272.db2.gz GMBWSCOSKLHIJA-AWEZNQCLSA-N 1 0 301.350 1.475 20 5 DDBDRO CC[N@H+](CCO)CCNC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000187163632 200070151 /nfs/dbraw/zinc/07/01/51/200070151.db2.gz YIGVFIPCWFGAFI-GFCCVEGCSA-N 1 0 324.381 1.269 20 5 DDBDRO C[C@](C[NH3+])(NC(=O)CSc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000237597049 202296245 /nfs/dbraw/zinc/29/62/45/202296245.db2.gz WDIPUAXPHKQLNM-CQSZACIVSA-N 1 0 309.391 1.931 20 5 DDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCc2cnccn2)n1 ZINC000358989365 299300493 /nfs/dbraw/zinc/30/04/93/299300493.db2.gz QPUJKAWHJNKVHP-ZIAGYGMSSA-N 1 0 316.365 1.897 20 5 DDBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCC[NH2+]CC1 ZINC000237851525 202370725 /nfs/dbraw/zinc/37/07/25/202370725.db2.gz LPJPFKBGSIBHFX-UHFFFAOYSA-N 1 0 319.770 1.232 20 5 DDBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCCN(C)C1 ZINC000610804204 360540855 /nfs/dbraw/zinc/54/08/55/360540855.db2.gz UAGUUBGAHRGGOF-GXTWGEPZSA-N 1 0 320.393 1.996 20 5 DDBDRO CCC[C@H]1CN(c2cccnc2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000611228214 360667809 /nfs/dbraw/zinc/66/78/09/360667809.db2.gz UEUPOFMUMZFUAU-ZDUSSCGKSA-N 1 0 308.382 1.927 20 5 DDBDRO Cn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)n1 ZINC000611335231 360700629 /nfs/dbraw/zinc/70/06/29/360700629.db2.gz HHVCQTBMGOXSFW-LBPRGKRZSA-N 1 0 321.381 1.132 20 5 DDBDRO C[C@H](O)[C@H]1CCC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611564062 360761343 /nfs/dbraw/zinc/76/13/43/360761343.db2.gz VAXGEIWCBLSGSI-RYUDHWBXSA-N 1 0 322.361 1.959 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCOCC3(CC3)C2)c1 ZINC000611813312 360831714 /nfs/dbraw/zinc/83/17/14/360831714.db2.gz XKJMJMFKBGBVMO-CQSZACIVSA-N 1 0 322.361 1.447 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCOCC3(CC3)C2)c1 ZINC000611813311 360832288 /nfs/dbraw/zinc/83/22/88/360832288.db2.gz XKJMJMFKBGBVMO-AWEZNQCLSA-N 1 0 322.361 1.447 20 5 DDBDRO C[N@H+]1CC=C(CNC(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000271957593 209340693 /nfs/dbraw/zinc/34/06/93/209340693.db2.gz YNJOQNUXLIRGJB-UHFFFAOYSA-N 1 0 303.362 1.906 20 5 DDBDRO C[N@H+]1CC=C(CNC(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000271902396 209310667 /nfs/dbraw/zinc/31/06/67/209310667.db2.gz GZNUUDTXKBZPGZ-VOTSOKGWSA-N 1 0 301.346 1.986 20 5 DDBDRO C[NH2+]CCCNS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000193235792 201010767 /nfs/dbraw/zinc/01/07/67/201010767.db2.gz YVNJGWSVAKHDNW-UHFFFAOYSA-N 1 0 301.368 1.099 20 5 DDBDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000193443505 201051280 /nfs/dbraw/zinc/05/12/80/201051280.db2.gz UJNDEUGVKQVKOL-LLVKDONJSA-N 1 0 324.381 1.936 20 5 DDBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000193690658 201104532 /nfs/dbraw/zinc/10/45/32/201104532.db2.gz QWMQDBUVFDWWRX-NSHDSACASA-N 1 0 322.365 1.403 20 5 DDBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000288184238 220004044 /nfs/dbraw/zinc/00/40/44/220004044.db2.gz BSBPXEHBEWNVLH-AAEUAGOBSA-N 1 0 318.377 1.876 20 5 DDBDRO C[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1cn[nH]c1 ZINC000275155025 212155211 /nfs/dbraw/zinc/15/52/11/212155211.db2.gz HNELKNZWZWWHPF-JQWIXIFHSA-N 1 0 306.322 1.408 20 5 DDBDRO COC(=O)CC1([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000566308573 304142874 /nfs/dbraw/zinc/14/28/74/304142874.db2.gz IWANRANDSNFWBI-UHFFFAOYSA-N 1 0 321.333 1.527 20 5 DDBDRO O=C(c1ccc([N+](=O)[O-])cc1F)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261840314 203130678 /nfs/dbraw/zinc/13/06/78/203130678.db2.gz PNHPAHMZSOHKOX-PHIMTYICSA-N 1 0 307.325 1.806 20 5 DDBDRO COc1cc(C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)cc([N+](=O)[O-])c1OC ZINC000275105526 212123183 /nfs/dbraw/zinc/12/31/83/212123183.db2.gz DIBKDJYRAKXVGA-MWLCHTKSSA-N 1 0 323.349 1.340 20 5 DDBDRO O=[N+]([O-])c1ccc(-c2noc(CN3C[C@H]4C[NH2+]C[C@@H]4C3)n2)cc1 ZINC000359296343 299401174 /nfs/dbraw/zinc/40/11/74/299401174.db2.gz CNRJHUWMNNAXET-VXGBXAGGSA-N 1 0 315.333 1.296 20 5 DDBDRO COc1cc(C(=O)NC[C@@]2(C)CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000262367052 203275695 /nfs/dbraw/zinc/27/56/95/203275695.db2.gz XDXLLYVCTQFRGF-HNNXBMFYSA-N 1 0 307.350 1.723 20 5 DDBDRO Cc1nn(CCC(=O)N[C@H]2CC[C@H]([NH+](C)C)C2)c(C)c1[N+](=O)[O-] ZINC000093797002 193309385 /nfs/dbraw/zinc/30/93/85/193309385.db2.gz KWFURGNEKQCUHR-STQMWFEESA-N 1 0 323.397 1.397 20 5 DDBDRO O=C(CN1C[C@H]2C[NH2+]C[C@@H]2C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000359307200 299406999 /nfs/dbraw/zinc/40/69/99/299406999.db2.gz NAQYAWDEGXFKDZ-NXEZZACHSA-N 1 0 324.768 1.338 20 5 DDBDRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNc1ccc(F)cc1[N+](=O)[O-] ZINC000264627349 204039374 /nfs/dbraw/zinc/03/93/74/204039374.db2.gz SVXFDHZRCREMFL-LBPRGKRZSA-N 1 0 310.329 1.486 20 5 DDBDRO CC[C@@H]1CCCC[N@@H+]1CCNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000264941506 204288489 /nfs/dbraw/zinc/28/84/89/204288489.db2.gz IJLZPCCPXSAWTO-LLVKDONJSA-N 1 0 321.381 1.765 20 5 DDBDRO C[NH+](C)CCCCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000264956269 204300695 /nfs/dbraw/zinc/30/06/95/204300695.db2.gz YWSXPQUKVNQZEY-UHFFFAOYSA-N 1 0 310.310 1.575 20 5 DDBDRO C[NH+]1CCC(NC(=O)NCCc2ccccc2[N+](=O)[O-])CC1 ZINC000266128336 205122069 /nfs/dbraw/zinc/12/20/69/205122069.db2.gz QOHNZTWBEVLCKI-UHFFFAOYSA-N 1 0 306.366 1.531 20 5 DDBDRO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000266131605 205124305 /nfs/dbraw/zinc/12/43/05/205124305.db2.gz KLKMGVBKCNOIQS-LBPRGKRZSA-N 1 0 306.366 1.871 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCCC[NH+]2CCC(O)CC2)c1 ZINC000266108081 205103881 /nfs/dbraw/zinc/10/38/81/205103881.db2.gz COOMAGNLBRBGQN-UHFFFAOYSA-N 1 0 321.377 1.480 20 5 DDBDRO COC(=O)c1cc(C)nc(N2CC[C@H]3C[NH2+]C[C@H]3C2)c1[N+](=O)[O-] ZINC000420263938 284525964 /nfs/dbraw/zinc/52/59/64/284525964.db2.gz TZWKHAKEMBNBHK-QWRGUYRKSA-N 1 0 320.349 1.131 20 5 DDBDRO COC(=O)c1cc(C)nc(N2CC[C@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000287946340 284525045 /nfs/dbraw/zinc/52/50/45/284525045.db2.gz QDGHLYSWFNMKBE-JTQLQIEISA-N 1 0 308.338 1.225 20 5 DDBDRO COc1c(C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000334084038 249209721 /nfs/dbraw/zinc/20/97/21/249209721.db2.gz WDAMABMGWKCZLV-QWRGUYRKSA-N 1 0 307.350 1.816 20 5 DDBDRO COCCn1cc(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)cn1 ZINC000284985586 218246572 /nfs/dbraw/zinc/24/65/72/218246572.db2.gz GGNLCBMKBYGJTI-NSHDSACASA-N 1 0 319.365 1.871 20 5 DDBDRO CC(C)N1CC[C@H]([NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1=O ZINC000285366193 218399197 /nfs/dbraw/zinc/39/91/97/218399197.db2.gz VTTOLTXSUIMPFT-GWCFXTLKSA-N 1 0 306.366 1.837 20 5 DDBDRO COCC[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000061380222 184169993 /nfs/dbraw/zinc/16/99/93/184169993.db2.gz IZNYTGFHTPMMEZ-UHFFFAOYSA-N 1 0 315.757 1.556 20 5 DDBDRO CCn1c(C)nc([N+](=O)[O-])c1NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000340903687 251266943 /nfs/dbraw/zinc/26/69/43/251266943.db2.gz MURWRXQIQQXBNO-UHFFFAOYSA-N 1 0 324.429 1.558 20 5 DDBDRO Cc1n[nH]c(C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c1[N+](=O)[O-] ZINC000269110139 207248832 /nfs/dbraw/zinc/24/88/32/207248832.db2.gz IESJCWOIFWESRD-MNOVXSKESA-N 1 0 307.354 1.183 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[NH2+]C2(CO)C3CC4CC(C3)CC2C4)n1 ZINC000412006567 223943385 /nfs/dbraw/zinc/94/33/85/223943385.db2.gz WLHOARMRJCGFMX-UHFFFAOYSA-N 1 0 320.393 1.568 20 5 DDBDRO Cn1nc([N+](=O)[O-])cc1C(=O)N1CCC[N@H+](CC2CCC2)CC1 ZINC000412306003 224008072 /nfs/dbraw/zinc/00/80/72/224008072.db2.gz DLZXXORAUAOUPU-UHFFFAOYSA-N 1 0 321.381 1.276 20 5 DDBDRO C[C@@H](NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)C1=CC[N@H+](C)CC1 ZINC000330762360 533040708 /nfs/dbraw/zinc/04/07/08/533040708.db2.gz HTBRHCQMVTVMAN-LLVKDONJSA-N 1 0 321.381 1.293 20 5 DDBDRO [NH3+]CCCCNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000272955554 210341653 /nfs/dbraw/zinc/34/16/53/210341653.db2.gz MSVOQDLIMIBZKU-UHFFFAOYSA-N 1 0 316.155 1.826 20 5 DDBDRO C[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@@H]1CCC[C@H]1O ZINC000286510270 219027490 /nfs/dbraw/zinc/02/74/90/219027490.db2.gz MUFZGFYNYZMIQM-HUUCEWRRSA-N 1 0 319.361 1.329 20 5 DDBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000157305778 197177887 /nfs/dbraw/zinc/17/78/87/197177887.db2.gz SCUBNYFGNCYQMZ-TZMCWYRMSA-N 1 0 321.381 1.124 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N(C)[C@H]1C[NH+]2CCC1CC2 ZINC000427855508 533134168 /nfs/dbraw/zinc/13/41/68/533134168.db2.gz CWXDWOYRCOPGIZ-AWEZNQCLSA-N 1 0 319.361 1.770 20 5 DDBDRO C[C@H](CO)[N@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000289486955 221011938 /nfs/dbraw/zinc/01/19/38/221011938.db2.gz RESVVNXATQVARE-LLVKDONJSA-N 1 0 304.350 1.808 20 5 DDBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](c2nc(=O)[nH][nH]2)C1 ZINC000289487171 221012250 /nfs/dbraw/zinc/01/22/50/221012250.db2.gz SGSYDSXLJWGPLF-QWRGUYRKSA-N 1 0 317.349 1.947 20 5 DDBDRO C[C@@H]1C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCC1(F)F ZINC000289783085 221222391 /nfs/dbraw/zinc/22/23/91/221222391.db2.gz LVOHORSOVGMZFO-MWLCHTKSSA-N 1 0 304.297 1.129 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000444156522 533222336 /nfs/dbraw/zinc/22/23/36/533222336.db2.gz LVHQSGVXYPZDRR-DOMZBBRYSA-N 1 0 305.334 1.219 20 5 DDBDRO C[C@@H]1CSC[C@@H]1[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000352814320 285318428 /nfs/dbraw/zinc/31/84/28/285318428.db2.gz HIGLWPLXNPIMQH-OSMZGAPFSA-N 1 0 312.391 1.676 20 5 DDBDRO CC(C)[C@@](C)(CO)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000352889892 285364755 /nfs/dbraw/zinc/36/47/55/285364755.db2.gz BJWQTSTWTNALSR-SWLSCSKDSA-N 1 0 312.366 1.331 20 5 DDBDRO COc1cc(C(=O)NC2(C)CC[NH2+]CC2)cc([N+](=O)[O-])c1C ZINC000423597258 533529191 /nfs/dbraw/zinc/52/91/91/533529191.db2.gz UEQUPNIUYGVPBZ-UHFFFAOYSA-N 1 0 307.350 1.784 20 5 DDBDRO C[C@@H](CCCC[NH3+])NC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000417234963 533532755 /nfs/dbraw/zinc/53/27/55/533532755.db2.gz QSXDOJLCOCQSIV-LBPRGKRZSA-N 1 0 308.382 1.954 20 5 DDBDRO COc1ccc(CNC(=O)N[C@H]2CC[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC000417179789 533633826 /nfs/dbraw/zinc/63/38/26/533633826.db2.gz FYBBPZNSOOVNRF-PWSUYJOCSA-N 1 0 322.365 1.401 20 5 DDBDRO COc1ccc(C[NH2+]CCCCS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000424171619 533660600 /nfs/dbraw/zinc/66/06/00/533660600.db2.gz MBLNXVQPILGPAK-UHFFFAOYSA-N 1 0 316.379 1.518 20 5 DDBDRO Cc1n[nH]c(C(=O)N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000299578632 533667376 /nfs/dbraw/zinc/66/73/76/533667376.db2.gz XEDPTULILQQYAX-AXFHLTTASA-N 1 0 323.397 1.723 20 5 DDBDRO CNS(=O)(=O)CC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000568468894 304294259 /nfs/dbraw/zinc/29/42/59/304294259.db2.gz YSODSOLZDQJFQV-JTQLQIEISA-N 1 0 301.368 1.103 20 5 DDBDRO CC[C@H]1CN(C)CCN1C(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000569162474 304339144 /nfs/dbraw/zinc/33/91/44/304339144.db2.gz UGNJRLYFKNZICO-ZDUSSCGKSA-N 1 0 321.377 1.835 20 5 DDBDRO COc1ccc(C[NH2+][C@H]2CCCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000069144525 406685405 /nfs/dbraw/zinc/68/54/05/406685405.db2.gz SMJXUGXHWRUGTB-NSHDSACASA-N 1 0 314.363 1.270 20 5 DDBDRO C[C@H]([NH3+])[C@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000070173607 406810000 /nfs/dbraw/zinc/81/00/00/406810000.db2.gz ANCCUTYBBFLEHV-QWRGUYRKSA-N 1 0 313.379 1.343 20 5 DDBDRO CO[C@H]1CCC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000076345443 406963866 /nfs/dbraw/zinc/96/38/66/406963866.db2.gz NMZBZPAPDWCOTL-ZFWWWQNUSA-N 1 0 310.350 1.445 20 5 DDBDRO [NH3+]C[C@@H]1CCCC[C@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000089108270 407123888 /nfs/dbraw/zinc/12/38/88/407123888.db2.gz ZYXIXOUPWWWXLZ-GXFFZTMASA-N 1 0 313.379 1.391 20 5 DDBDRO CC(C)[N@H+](CCO)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000085861062 407106223 /nfs/dbraw/zinc/10/62/23/407106223.db2.gz UXAAVXFKIVSLTB-UHFFFAOYSA-N 1 0 307.350 1.187 20 5 DDBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000079943477 407066364 /nfs/dbraw/zinc/06/63/64/407066364.db2.gz ACKFFDPFOFNKGO-CYBMUJFWSA-N 1 0 322.409 1.878 20 5 DDBDRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000055900371 407207915 /nfs/dbraw/zinc/20/79/15/407207915.db2.gz VSWBSUUIOYEZQK-HNNXBMFYSA-N 1 0 321.377 1.916 20 5 DDBDRO C[C@H]1CCCC[N@@H+]1CCNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000065867570 407245962 /nfs/dbraw/zinc/24/59/62/407245962.db2.gz OWWUOIZQMYLQAR-ZDUSSCGKSA-N 1 0 320.393 1.997 20 5 DDBDRO C[C@@H]1C[C@H](N(C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000123191215 407321572 /nfs/dbraw/zinc/32/15/72/407321572.db2.gz LUXHWLWXCDWBQL-BXUZGUMPSA-N 1 0 320.393 1.608 20 5 DDBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000101631743 407313270 /nfs/dbraw/zinc/31/32/70/407313270.db2.gz HYXZZGUQFIYTNJ-LBPRGKRZSA-N 1 0 307.350 1.818 20 5 DDBDRO C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)Nc1ccncc1[N+](=O)[O-])C2 ZINC000124563286 407362317 /nfs/dbraw/zinc/36/23/17/407362317.db2.gz WZXSRVGDUFNNCS-WDEREUQCSA-N 1 0 305.338 1.690 20 5 DDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC[C@H]([NH+](C)C)C1 ZINC000110509700 407398840 /nfs/dbraw/zinc/39/88/40/407398840.db2.gz IGUITBWBCLYKIW-LBPRGKRZSA-N 1 0 306.366 1.485 20 5 DDBDRO C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CCn1cccn1 ZINC000111281185 407406394 /nfs/dbraw/zinc/40/63/94/407406394.db2.gz UBBUVGKSFIFISJ-UHFFFAOYSA-N 1 0 317.349 1.752 20 5 DDBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000111635723 407412619 /nfs/dbraw/zinc/41/26/19/407412619.db2.gz ZZFBIHIIUYUCKB-JTQLQIEISA-N 1 0 308.338 1.300 20 5 DDBDRO C[NH+]1CCN([C@@H]2CCCCN(c3ncccc3[N+](=O)[O-])C2)CC1 ZINC000127021618 407426317 /nfs/dbraw/zinc/42/63/17/407426317.db2.gz AHVVSIIZANSAGJ-CQSZACIVSA-N 1 0 319.409 1.596 20 5 DDBDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000185802457 407509118 /nfs/dbraw/zinc/50/91/18/407509118.db2.gz DQURYWUXTVLNJB-WDEREUQCSA-N 1 0 306.366 1.780 20 5 DDBDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000185802509 407508835 /nfs/dbraw/zinc/50/88/35/407508835.db2.gz DQURYWUXTVLNJB-MNOVXSKESA-N 1 0 306.366 1.780 20 5 DDBDRO CNC(=O)[C@@H]1CCCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000170911871 407552034 /nfs/dbraw/zinc/55/20/34/407552034.db2.gz YETBDWMJEPSBTE-HNNXBMFYSA-N 1 0 321.377 1.964 20 5 DDBDRO CC(C)OC(=O)C[C@H](NC(=O)[C@H](C)[NH3+])c1ccccc1[N+](=O)[O-] ZINC000151857008 407514336 /nfs/dbraw/zinc/51/43/36/407514336.db2.gz BWAXXYVZYFQEFT-JQWIXIFHSA-N 1 0 323.349 1.441 20 5 DDBDRO O=C(NCC1=CC[NH2+]CC1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000186279323 407627897 /nfs/dbraw/zinc/62/78/97/407627897.db2.gz YETATQRKYCLGMJ-UHFFFAOYSA-N 1 0 316.361 1.819 20 5 DDBDRO COc1cc(C(=O)N2CC[C@@H](OC)C[C@@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000261866497 407647258 /nfs/dbraw/zinc/64/72/58/407647258.db2.gz KXBLKGNNUNYESD-VXGBXAGGSA-N 1 0 323.349 1.182 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@H]2[C@H](O)C(F)(F)F)c1 ZINC000266907308 407672534 /nfs/dbraw/zinc/67/25/34/407672534.db2.gz BOLNDTIPIMBBNL-UWVGGRQHSA-N 1 0 308.260 1.179 20 5 DDBDRO O=[N+]([O-])c1ccc(CN2CC[C@H](C[NH+]3CCOCC3)C2)c(F)c1 ZINC000267006354 407713850 /nfs/dbraw/zinc/71/38/50/407713850.db2.gz FWUSDYFCYDSLTL-CYBMUJFWSA-N 1 0 323.368 1.888 20 5 DDBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)c3cc(F)ccc3[N+](=O)[O-])C[C@H]21 ZINC000262041424 407719734 /nfs/dbraw/zinc/71/97/34/407719734.db2.gz BXBIDYOROUCOBG-ZWKOPEQDSA-N 1 0 307.325 1.933 20 5 DDBDRO C[C@@]1(C[NH3+])CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000262080642 407734493 /nfs/dbraw/zinc/73/44/93/407734493.db2.gz TWGLCBHGZUSNOF-HNNXBMFYSA-N 1 0 307.350 1.561 20 5 DDBDRO C[NH2+]C[C@@H]1CCCN(C(=O)CCn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000237172568 407804082 /nfs/dbraw/zinc/80/40/82/407804082.db2.gz GHIZKHKHORGFBF-ZDUSSCGKSA-N 1 0 323.397 1.256 20 5 DDBDRO O=C(CC[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1)N1CCOCC1 ZINC000153391613 407815637 /nfs/dbraw/zinc/81/56/37/407815637.db2.gz JFZUCFVQJDFHOV-UHFFFAOYSA-N 1 0 319.361 1.202 20 5 DDBDRO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000237489167 407821090 /nfs/dbraw/zinc/82/10/90/407821090.db2.gz YUOZKQZTOGGPCI-RYUDHWBXSA-N 1 0 306.366 1.735 20 5 DDBDRO C[C@H]1CN(CCCOc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1CCO ZINC000187727844 407884742 /nfs/dbraw/zinc/88/47/42/407884742.db2.gz YGIRYTXGFJISRV-AWEZNQCLSA-N 1 0 323.393 1.362 20 5 DDBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000268102276 407889385 /nfs/dbraw/zinc/88/93/85/407889385.db2.gz FTHXKLZLDONKFT-FZMZJTMJSA-N 1 0 318.377 1.877 20 5 DDBDRO Cc1ccc(S(=O)(=O)N2CC[NH2+][C@@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000262769109 407922603 /nfs/dbraw/zinc/92/26/03/407922603.db2.gz LTSXPNQECVUCPH-QWRGUYRKSA-N 1 0 313.379 1.274 20 5 DDBDRO Cc1ccc(C)c(S(=O)(=O)NC2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC000262791554 407933185 /nfs/dbraw/zinc/93/31/85/407933185.db2.gz RVPUOGVAJMLMNX-UHFFFAOYSA-N 1 0 313.379 1.242 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)COc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000272570164 407989702 /nfs/dbraw/zinc/98/97/02/407989702.db2.gz FTCDKOMRRXAYDK-DOMZBBRYSA-N 1 0 319.361 1.526 20 5 DDBDRO CNC(=O)CCC[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000154742635 408077791 /nfs/dbraw/zinc/07/77/91/408077791.db2.gz HAWRYSQFCDECEZ-UHFFFAOYSA-N 1 0 322.365 1.381 20 5 DDBDRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)c2[nH]ncc2[N+](=O)[O-])C1 ZINC000136205179 408090868 /nfs/dbraw/zinc/09/08/68/408090868.db2.gz FSWAIRMBJUMVTD-RYUDHWBXSA-N 1 0 323.397 1.806 20 5 DDBDRO COc1cc(OCC(=O)N[C@](C)(C[NH3+])C2CC2)ccc1[N+](=O)[O-] ZINC000154863389 408099038 /nfs/dbraw/zinc/09/90/38/408099038.db2.gz LBXDENLTYMKEFV-OAHLLOKOSA-N 1 0 323.349 1.226 20 5 DDBDRO C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)CC1(O)CCOCC1 ZINC000189749645 408100918 /nfs/dbraw/zinc/10/09/18/408100918.db2.gz LICSZVOVCVREIV-UHFFFAOYSA-N 1 0 324.377 1.837 20 5 DDBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C1 ZINC000175326441 408106052 /nfs/dbraw/zinc/10/60/52/408106052.db2.gz XBIRNPJFFYGBLD-LLVKDONJSA-N 1 0 322.365 1.499 20 5 DDBDRO CCc1n[nH]c(C(=O)N2CC[C@@H]([NH+](CC)CC)C2)c1[N+](=O)[O-] ZINC000175405490 408121450 /nfs/dbraw/zinc/12/14/50/408121450.db2.gz WWVZXTYJWQYNKW-SNVBAGLBSA-N 1 0 309.370 1.437 20 5 DDBDRO C[C@H]([NH2+]C[C@@H](O)COC[C@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000246015753 408123625 /nfs/dbraw/zinc/12/36/25/408123625.db2.gz IXBLNTIZCAZINJ-APHBMKBZSA-N 1 0 324.377 1.802 20 5 DDBDRO CC[N@H+](CCNC(=O)c1ccc(OC)c([N+](=O)[O-])c1)C1CC1 ZINC000263657236 408192744 /nfs/dbraw/zinc/19/27/44/408192744.db2.gz AGKHSMCYRLIXLY-UHFFFAOYSA-N 1 0 307.350 1.818 20 5 DDBDRO C[C@@H](NC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)C(C)(C)C[NH+](C)C ZINC000175826878 408216831 /nfs/dbraw/zinc/21/68/31/408216831.db2.gz LUZRFVKBIWFQLD-SECBINFHSA-N 1 0 310.354 1.402 20 5 DDBDRO O=[N+]([O-])c1cnc(NC2CC[NH+](Cc3ccccn3)CC2)nc1 ZINC000273640517 408273556 /nfs/dbraw/zinc/27/35/56/408273556.db2.gz SAKGYCUBRKTVHN-UHFFFAOYSA-N 1 0 314.349 1.856 20 5 DDBDRO C[C@H]1CCCN(C(=O)COc2ccccc2[N+](=O)[O-])[C@H]1C[NH3+] ZINC000156733336 408273539 /nfs/dbraw/zinc/27/35/39/408273539.db2.gz FCRKHEIULCEPPG-AAEUAGOBSA-N 1 0 307.350 1.559 20 5 DDBDRO CCCc1n[nH]c(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000151201786 408275094 /nfs/dbraw/zinc/27/50/94/408275094.db2.gz PPQHYZSTGZVYKW-JTQLQIEISA-N 1 0 309.370 1.437 20 5 DDBDRO Cc1c(CC(=O)NCC2(O)CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000269680287 408389141 /nfs/dbraw/zinc/38/91/41/408389141.db2.gz IBXAIGXXNIMIIL-UHFFFAOYSA-N 1 0 321.377 1.019 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NCC[N@@H+](C)C1CCCC1 ZINC000264138903 408378375 /nfs/dbraw/zinc/37/83/75/408378375.db2.gz FZWIQFHJSLGXDG-UHFFFAOYSA-N 1 0 309.370 1.090 20 5 DDBDRO CCCc1n[nH]c(C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000247289827 408445254 /nfs/dbraw/zinc/44/52/54/408445254.db2.gz GJQNSQADNRSFSJ-QWRGUYRKSA-N 1 0 323.397 1.825 20 5 DDBDRO COCC[NH+]1CCC(NC(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000183590519 408449259 /nfs/dbraw/zinc/44/92/59/408449259.db2.gz PBVQXSCEAIQDBW-UHFFFAOYSA-N 1 0 323.353 1.222 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159274398 408396534 /nfs/dbraw/zinc/39/65/34/408396534.db2.gz GZHTWPQFNUCMJO-TXEJJXNPSA-N 1 0 305.334 1.327 20 5 DDBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1cccc([N+](=O)[O-])c1C ZINC000176913426 408473020 /nfs/dbraw/zinc/47/30/20/408473020.db2.gz LZQFYCGERYJRIZ-CYBMUJFWSA-N 1 0 323.393 1.990 20 5 DDBDRO COc1ccc(C[C@@](C)([NH3+])CNc2c([N+](=O)[O-])ncn2C)cc1 ZINC000269942991 408477075 /nfs/dbraw/zinc/47/70/75/408477075.db2.gz HDASBLKRIAVJBD-OAHLLOKOSA-N 1 0 319.365 1.709 20 5 DDBDRO CS[C@H]1CN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C[C@@H]1[NH+](C)C ZINC000270519543 408560140 /nfs/dbraw/zinc/56/01/40/408560140.db2.gz SPLVRQLCNQGSHG-STQMWFEESA-N 1 0 324.406 1.295 20 5 DDBDRO C[C@H]([NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000177347372 408586798 /nfs/dbraw/zinc/58/67/98/408586798.db2.gz YHLJZEPYDFZOBZ-JTQLQIEISA-N 1 0 313.379 1.261 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000275543584 408595013 /nfs/dbraw/zinc/59/50/13/408595013.db2.gz QSMHCDNDPOAZEW-ZDUSSCGKSA-N 1 0 321.381 1.271 20 5 DDBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C[C@@H](C)[C@@H]([NH+](C)C)C1 ZINC000270697584 408641573 /nfs/dbraw/zinc/64/15/73/408641573.db2.gz ZHLLTUYMEROURY-XUJVJEKNSA-N 1 0 320.393 1.804 20 5 DDBDRO CC(C)[C@@H](C)[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000162102022 408667939 /nfs/dbraw/zinc/66/79/39/408667939.db2.gz FFCYDZWXQHEWBT-LLVKDONJSA-N 1 0 315.395 1.507 20 5 DDBDRO C[C@@H]1C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC[C@H]1O ZINC000249527347 408736041 /nfs/dbraw/zinc/73/60/41/408736041.db2.gz AGGVRCOBRWMDOF-MBNYWOFBSA-N 1 0 310.350 1.037 20 5 DDBDRO Cc1nn(C)c(C(=O)N[C@H](C)C[NH+]2CCCCCC2)c1[N+](=O)[O-] ZINC000185429935 408806271 /nfs/dbraw/zinc/80/62/71/408806271.db2.gz YGTCLSPGGGEENU-LLVKDONJSA-N 1 0 323.397 1.631 20 5 DDBDRO Cc1c(CC(=O)N2CC[N@@H+](C)CC2(C)C)cccc1[N+](=O)[O-] ZINC000270952612 408756888 /nfs/dbraw/zinc/75/68/88/408756888.db2.gz VTIMFMCNPPMZNF-UHFFFAOYSA-N 1 0 305.378 1.998 20 5 DDBDRO C[C@@H](C[S@](C)=O)[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000185126336 408764463 /nfs/dbraw/zinc/76/44/63/408764463.db2.gz NDDLCHFPWBEEST-YBTHPKLGSA-N 1 0 300.380 1.672 20 5 DDBDRO CCOc1cc(C[N@@H+]2CC[C@@](C)(C(N)=O)C2)ccc1[N+](=O)[O-] ZINC000280840876 408844690 /nfs/dbraw/zinc/84/46/90/408844690.db2.gz XBCHDTHBKJUMRE-OAHLLOKOSA-N 1 0 307.350 1.691 20 5 DDBDRO CC[NH+]1CCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CC1 ZINC000280976756 408868385 /nfs/dbraw/zinc/86/83/85/408868385.db2.gz MUAOQXKJRJYCOB-UHFFFAOYSA-N 1 0 303.322 1.386 20 5 DDBDRO [NH3+]CC[C@H]1CCCCN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000286040064 408912763 /nfs/dbraw/zinc/91/27/63/408912763.db2.gz KSSZUPUVLPFLGP-SNVBAGLBSA-N 1 0 317.349 1.815 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])cn(CC[NH+]2CCCCC2)c1=O ZINC000192823955 163239894 /nfs/dbraw/zinc/23/98/94/163239894.db2.gz SBYNRUSVEBYWGV-UHFFFAOYSA-N 1 0 309.322 1.029 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000193521911 163257704 /nfs/dbraw/zinc/25/77/04/163257704.db2.gz LPJOZRAYKLGYRF-UHFFFAOYSA-N 1 0 318.377 1.999 20 5 DDBDRO C[N@H+]1C[C@@H]2C[NH+](CCCOc3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC000193601704 163259466 /nfs/dbraw/zinc/25/94/66/163259466.db2.gz WSZIIQMZLHZNRV-OKILXGFUSA-N 1 0 305.378 1.857 20 5 DDBDRO COc1ccc(OCCN2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000193616232 163260759 /nfs/dbraw/zinc/26/07/59/163260759.db2.gz ZQFYYQHACDCLDW-BETUJISGSA-N 1 0 321.377 1.476 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000226461976 163336868 /nfs/dbraw/zinc/33/68/68/163336868.db2.gz ABVFVMUAKCDPOH-LLVKDONJSA-N 1 0 313.379 1.324 20 5 DDBDRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000277743590 409003190 /nfs/dbraw/zinc/00/31/90/409003190.db2.gz YHHUWGIOAXKKNV-GWCFXTLKSA-N 1 0 306.366 1.389 20 5 DDBDRO C[N@H+](CCC(N)=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000286262195 408952134 /nfs/dbraw/zinc/95/21/34/408952134.db2.gz BGJVFMOEJFBQEM-UHFFFAOYSA-N 1 0 316.155 1.665 20 5 DDBDRO C[C@H]([NH2+][C@H]1CCOC[C@@H]1C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000277665207 408988343 /nfs/dbraw/zinc/98/83/43/408988343.db2.gz FUBVSCQLJVXXFG-SRVKXCTJSA-N 1 0 307.350 1.936 20 5 DDBDRO O=C1C[C@@]2(CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C2)CN1 ZINC000278837663 409098441 /nfs/dbraw/zinc/09/84/41/409098441.db2.gz IXLDDXANPCURAC-AWEZNQCLSA-N 1 0 309.753 1.960 20 5 DDBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)C[C@@H](O)Cc1ccccc1 ZINC000293418624 409109220 /nfs/dbraw/zinc/10/92/20/409109220.db2.gz SQDZBQGGJYZYMU-HNNXBMFYSA-N 1 0 304.350 1.327 20 5 DDBDRO O=C(COc1ccccc1[N+](=O)[O-])N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000293507969 409127130 /nfs/dbraw/zinc/12/71/30/409127130.db2.gz SVSYDSKKCRIDKS-NWDGAFQWSA-N 1 0 305.334 1.184 20 5 DDBDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000283623733 409185937 /nfs/dbraw/zinc/18/59/37/409185937.db2.gz AXWCDJBBTZFICT-JTQLQIEISA-N 1 0 324.356 1.730 20 5 DDBDRO C[C@@H](C[NH+](C)C)NC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000288098224 409145847 /nfs/dbraw/zinc/14/58/47/409145847.db2.gz UJHXUJLGSADDKT-NSHDSACASA-N 1 0 322.365 1.318 20 5 DDBDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000279166691 409161672 /nfs/dbraw/zinc/16/16/72/409161672.db2.gz GQYKMJMWTXYWGV-NSHDSACASA-N 1 0 322.365 1.248 20 5 DDBDRO CC[N@@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1 ZINC000284140218 409283569 /nfs/dbraw/zinc/28/35/69/409283569.db2.gz VZWAQBLGKIJKHC-UHFFFAOYSA-N 1 0 310.329 1.484 20 5 DDBDRO COc1cc(C[N@@H+]2CC[C@@](C)(C(N)=O)C2)c([N+](=O)[O-])cc1OC ZINC000280278902 409283711 /nfs/dbraw/zinc/28/37/11/409283711.db2.gz NDXFOGUXZVXWEV-OAHLLOKOSA-N 1 0 323.349 1.309 20 5 DDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000290158117 409311562 /nfs/dbraw/zinc/31/15/62/409311562.db2.gz NROIBXYSVOBWFS-HNNXBMFYSA-N 1 0 317.389 1.985 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000262773942 163876902 /nfs/dbraw/zinc/87/69/02/163876902.db2.gz MVYOTLNMBVMWBO-CMPLNLGQSA-N 1 0 313.379 1.180 20 5 DDBDRO CO[C@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1(C)C ZINC000295978839 409389386 /nfs/dbraw/zinc/38/93/86/409389386.db2.gz KWWSZAMVLJDHSQ-AWEZNQCLSA-N 1 0 321.377 1.941 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@](C)(C(=O)NC)C1 ZINC000280541775 409349902 /nfs/dbraw/zinc/34/99/02/409349902.db2.gz DKSFFOWVIGTSKP-INIZCTEOSA-N 1 0 321.377 1.952 20 5 DDBDRO COc1ccc(C[N@H+](CCOCCO)C(C)C)cc1[N+](=O)[O-] ZINC000319606562 164037755 /nfs/dbraw/zinc/03/77/55/164037755.db2.gz WVHKMMDRZOBEGZ-UHFFFAOYSA-N 1 0 312.366 1.823 20 5 DDBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000319969865 164039184 /nfs/dbraw/zinc/03/91/84/164039184.db2.gz DDVVSUJSXXUVII-YEZGLVMTSA-N 1 0 301.346 1.818 20 5 DDBDRO COc1ccc([C@@H](C)[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000321307687 164043514 /nfs/dbraw/zinc/04/35/14/164043514.db2.gz WGNDFCCWVXDAFU-BXUZGUMPSA-N 1 0 320.349 1.512 20 5 DDBDRO Cn1nc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000357034101 164136913 /nfs/dbraw/zinc/13/69/13/164136913.db2.gz CEHYZACCFDHIRA-GFCCVEGCSA-N 1 0 321.381 1.323 20 5 DDBDRO Cc1n[nH]c(C(=O)N(C)CC[NH+](C(C)C)C(C)C)c1[N+](=O)[O-] ZINC000357057143 164138384 /nfs/dbraw/zinc/13/83/84/164138384.db2.gz IPJOUMYXAALLIK-UHFFFAOYSA-N 1 0 311.386 1.817 20 5 DDBDRO COC(=O)C(C)(C)CCN(CC[NH3+])c1ccccc1[N+](=O)[O-] ZINC000348888482 409575885 /nfs/dbraw/zinc/57/58/85/409575885.db2.gz ACOFLYGXOXGWOH-UHFFFAOYSA-N 1 0 309.366 1.949 20 5 DDBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H](O)C1CC1 ZINC000349015557 409649609 /nfs/dbraw/zinc/64/96/09/409649609.db2.gz YKWOZZRBLYWQRN-IINYFYTJSA-N 1 0 307.350 1.672 20 5 DDBDRO [NH3+]CC[C@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000307824876 409781482 /nfs/dbraw/zinc/78/14/82/409781482.db2.gz UBQHOZIUIKXNLG-JTQLQIEISA-N 1 0 305.256 1.533 20 5 DDBDRO C[N@H+](CC[C@@H]1CCCO1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000342602189 409755747 /nfs/dbraw/zinc/75/57/47/409755747.db2.gz LWWGOVZWSFESCM-KGLIPLIRSA-N 1 0 324.377 1.835 20 5 DDBDRO CC[C@@H](C)[NH+]1CCN(C(=O)Cn2cc([N+](=O)[O-])nc2C)CC1 ZINC000297038234 409770354 /nfs/dbraw/zinc/77/03/54/409770354.db2.gz SQSXYSYMCIBAIJ-LLVKDONJSA-N 1 0 309.370 1.042 20 5 DDBDRO COc1cc(C(=O)NCC[NH+]2CCCC2)cc([N+](=O)[O-])c1OC ZINC000357065977 409833681 /nfs/dbraw/zinc/83/36/81/409833681.db2.gz AWVJPSZCFULNBY-UHFFFAOYSA-N 1 0 323.349 1.438 20 5 DDBDRO C[C@H]1[C@H](C)[N@H+](C)CCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000357041244 409810848 /nfs/dbraw/zinc/81/08/48/409810848.db2.gz QMAHKHJNKVKHEN-QWRGUYRKSA-N 1 0 306.366 1.218 20 5 DDBDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000357041247 409812217 /nfs/dbraw/zinc/81/22/17/409812217.db2.gz QMAHKHJNKVKHEN-WDEREUQCSA-N 1 0 306.366 1.218 20 5 DDBDRO Cc1n[nH]c(C(=O)N2CCC(C[NH+]3CCCC3)CC2)c1[N+](=O)[O-] ZINC000332085952 409865481 /nfs/dbraw/zinc/86/54/81/409865481.db2.gz GDCLADQSPLWJNH-UHFFFAOYSA-N 1 0 321.381 1.574 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)c1 ZINC000319220563 409890156 /nfs/dbraw/zinc/89/01/56/409890156.db2.gz NDNSFPZDBWAYFL-PHIMTYICSA-N 1 0 307.350 1.910 20 5 DDBDRO C[C@@H]1CCN(C)CCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000354617540 409970788 /nfs/dbraw/zinc/97/07/88/409970788.db2.gz UTUITKSJCWQDOB-LLVKDONJSA-N 1 0 313.379 1.310 20 5 DDBDRO C[NH+](C)C[C@@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCO1 ZINC000332224781 409991823 /nfs/dbraw/zinc/99/18/23/409991823.db2.gz KIIRULYMIOGALQ-GFCCVEGCSA-N 1 0 319.365 1.234 20 5 DDBDRO NC(=O)c1cc([N+](=O)[O-])cnc1NCCC[NH+]1CCCCC1 ZINC000298320827 410180784 /nfs/dbraw/zinc/18/07/84/410180784.db2.gz RZPKUDYSTLTCFP-UHFFFAOYSA-N 1 0 307.354 1.377 20 5 DDBDRO CS(=O)(=O)C[C@H]1CCCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000298574215 410297231 /nfs/dbraw/zinc/29/72/31/410297231.db2.gz REQZWAOEWOOSNJ-LBPRGKRZSA-N 1 0 312.391 1.851 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[N@H+](C)[C@H]1C ZINC000343432242 410449320 /nfs/dbraw/zinc/44/93/20/410449320.db2.gz KLEQWZGKIDVONH-GXFFZTMASA-N 1 0 307.350 1.816 20 5 DDBDRO O=C(CC[N@H+]1CCC[C@H](O)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000339780961 410456614 /nfs/dbraw/zinc/45/66/14/410456614.db2.gz SYBZWVHBRCFLHM-AWEZNQCLSA-N 1 0 307.350 1.770 20 5 DDBDRO C[C@H]1[C@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)CCC[N@@H+]1C ZINC000343460319 410471201 /nfs/dbraw/zinc/47/12/01/410471201.db2.gz SHYHHJKYZNGYOU-SMDDNHRTSA-N 1 0 307.350 1.573 20 5 DDBDRO C[C@H]1[NH2+]CCC[C@@H]1C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000343411666 410430225 /nfs/dbraw/zinc/43/02/25/410430225.db2.gz FCIJPKNXKFRYIC-ABAIWWIYSA-N 1 0 303.362 1.868 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[N@H+](C)[C@@H]1C ZINC000343432246 410448431 /nfs/dbraw/zinc/44/84/31/410448431.db2.gz KLEQWZGKIDVONH-ZWNOBZJWSA-N 1 0 307.350 1.816 20 5 DDBDRO CC[N@@H+]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1C(=O)NC ZINC000339883948 410528839 /nfs/dbraw/zinc/52/88/39/410528839.db2.gz GYHVUZSMRQRZGM-GFCCVEGCSA-N 1 0 306.366 1.851 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC2CC[NH+](C3CC3)CC2)c1 ZINC000299213261 410570210 /nfs/dbraw/zinc/57/02/10/410570210.db2.gz HUMUKELGWAEBRW-UHFFFAOYSA-N 1 0 319.361 1.960 20 5 DDBDRO COCC[N@H+](C)Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000355588309 410594764 /nfs/dbraw/zinc/59/47/64/410594764.db2.gz VTNBAGYKRUZOSH-UHFFFAOYSA-N 1 0 312.322 1.225 20 5 DDBDRO O=C(CC[N@H+]1C[C@@H]2CC[C@@H](O)[C@@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000337310868 410708251 /nfs/dbraw/zinc/70/82/51/410708251.db2.gz BOZAOEYZSONRPI-YWPYICTPSA-N 1 0 319.361 1.626 20 5 DDBDRO C[C@H](C[NH+](C)C)Nc1cc(CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000343812743 410718219 /nfs/dbraw/zinc/71/82/19/410718219.db2.gz VXTHOYFGDARQFR-CYBMUJFWSA-N 1 0 322.409 1.789 20 5 DDBDRO CS[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1[NH+](C)C ZINC000330500414 410731054 /nfs/dbraw/zinc/73/10/54/410731054.db2.gz OSJDYFNCPLIRIM-KBPBESRZSA-N 1 0 323.418 1.641 20 5 DDBDRO C[C@H](CNC(=O)Cn1ccc([N+](=O)[O-])n1)[N@@H+]1CCCC[C@H]1C ZINC000340267395 410808615 /nfs/dbraw/zinc/80/86/15/410808615.db2.gz HYFYOIFIFATVMS-VXGBXAGGSA-N 1 0 309.370 1.170 20 5 DDBDRO CCc1nn(C)c(N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)c1[N+](=O)[O-] ZINC000301917198 410830633 /nfs/dbraw/zinc/83/06/33/410830633.db2.gz ANWRBMXTBASLGS-SGMGOOAPSA-N 1 0 319.409 1.811 20 5 DDBDRO O=C1CCc2cc([N+](=O)[O-])c(N3CC[NH+]4CCC3CC4)cc2N1 ZINC000302772675 410861206 /nfs/dbraw/zinc/86/12/06/410861206.db2.gz NNPZLPBVUWPLPV-UHFFFAOYSA-N 1 0 316.361 1.764 20 5 DDBDRO CN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000348223781 410864376 /nfs/dbraw/zinc/86/43/76/410864376.db2.gz XWZSPPVRKZHZMH-CQSZACIVSA-N 1 0 318.377 1.362 20 5 DDBDRO CC(=O)N[C@@H](C)C1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000331107184 410953598 /nfs/dbraw/zinc/95/35/98/410953598.db2.gz GXISJBMVGANYBO-NSHDSACASA-N 1 0 309.370 1.028 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N(C)C1CC(O)C1 ZINC000353490438 411027409 /nfs/dbraw/zinc/02/74/09/411027409.db2.gz QRGVXIXAIJYTLA-GCVQQVDUSA-N 1 0 323.349 1.386 20 5 DDBDRO CCC[NH+]1CCC(CNC(=O)c2cc([N+](=O)[O-])nn2C)CC1 ZINC000356427167 411028203 /nfs/dbraw/zinc/02/82/03/411028203.db2.gz MUBVGCXAEQSJGD-UHFFFAOYSA-N 1 0 309.370 1.180 20 5 DDBDRO C[NH+](C)CCN(C(=O)CCn1cc([N+](=O)[O-])cn1)C1CCCC1 ZINC000353847297 411135361 /nfs/dbraw/zinc/13/53/61/411135361.db2.gz TUGKCCNLDRFSLM-UHFFFAOYSA-N 1 0 323.397 1.514 20 5 DDBDRO Cc1ccnc(N2CCC(OCC[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000360280053 411120269 /nfs/dbraw/zinc/12/02/69/411120269.db2.gz RWMRZKZUDUJPSE-UHFFFAOYSA-N 1 0 308.382 1.845 20 5 DDBDRO CCNC(=O)C[N@H+](CC)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000133506967 196329974 /nfs/dbraw/zinc/32/99/74/196329974.db2.gz YLFKLMIENQWXEW-UHFFFAOYSA-N 1 0 322.365 1.381 20 5 DDBDRO CNc1nccc(C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000519180177 416898450 /nfs/dbraw/zinc/89/84/50/416898450.db2.gz KNASUCLAZKLQPH-JTQLQIEISA-N 1 0 307.354 1.198 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000417168911 225231033 /nfs/dbraw/zinc/23/10/33/225231033.db2.gz BCSOQPKIBSWVRF-MNOVXSKESA-N 1 0 322.365 1.482 20 5 DDBDRO C[C@H](CO)[C@H](C)[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000295726217 225168113 /nfs/dbraw/zinc/16/81/13/225168113.db2.gz LOJZTZIVEOIQLD-MNOVXSKESA-N 1 0 307.350 1.090 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@H](C[NH3+])CC(C)C ZINC000417187621 225236568 /nfs/dbraw/zinc/23/65/68/225236568.db2.gz VBFZZHHTSHNVIN-LBPRGKRZSA-N 1 0 324.381 1.776 20 5 DDBDRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000418584710 225811914 /nfs/dbraw/zinc/81/19/14/225811914.db2.gz CMLIFOMHUJERSI-AAEUAGOBSA-N 1 0 306.366 1.734 20 5 DDBDRO C[C@@H]([NH3+])c1ccc(NC(=O)CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000178218789 221859679 /nfs/dbraw/zinc/85/96/79/221859679.db2.gz SWOARLIAXCUFHD-SNVBAGLBSA-N 1 0 303.322 1.840 20 5 DDBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000361012715 418566151 /nfs/dbraw/zinc/56/61/51/418566151.db2.gz HCXGNKBEMNVJOI-LBPRGKRZSA-N 1 0 324.429 1.558 20 5 DDBDRO C[C@@H]1c2ccccc2C[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000361044804 418572759 /nfs/dbraw/zinc/57/27/59/418572759.db2.gz JPOHSSPNVXSZEB-BXUZGUMPSA-N 1 0 302.334 1.729 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000374601317 418545364 /nfs/dbraw/zinc/54/53/64/418545364.db2.gz FKYYGQGPMWJTNY-GDLCADMTSA-N 1 0 319.361 1.803 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@H](O)c3ccccc3C2)n1 ZINC000374923939 418580413 /nfs/dbraw/zinc/58/04/13/418580413.db2.gz FZOMWTIMBLQMSM-AWEZNQCLSA-N 1 0 302.334 1.731 20 5 DDBDRO COc1cccc(C(=O)NCC(C)(C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000195333323 222197874 /nfs/dbraw/zinc/19/78/74/222197874.db2.gz GNNKRCFQDHGVNM-UHFFFAOYSA-N 1 0 309.366 1.921 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000367463114 418601214 /nfs/dbraw/zinc/60/12/14/418601214.db2.gz FOXNIVWTPCNBBW-SMDDNHRTSA-N 1 0 318.377 1.997 20 5 DDBDRO O=C(Nc1ccn(-c2cc[nH+]cc2)n1)c1csc([N+](=O)[O-])c1 ZINC000356112544 418649156 /nfs/dbraw/zinc/64/91/56/418649156.db2.gz LWYUONPAPXWPSZ-UHFFFAOYSA-N 1 0 315.314 2.489 20 5 DDBDRO C[NH+](C)CCOc1cnccc1CNc1ccc([N+](=O)[O-])cn1 ZINC000341028563 418624606 /nfs/dbraw/zinc/62/46/06/418624606.db2.gz DAEKNCVIYOIMHB-UHFFFAOYSA-N 1 0 317.349 1.937 20 5 DDBDRO NC(=O)[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@H]1C(F)(F)F ZINC000375399741 418635344 /nfs/dbraw/zinc/63/53/44/418635344.db2.gz KDQZQQJDUWGPRH-GHMZBOCLSA-N 1 0 317.267 1.690 20 5 DDBDRO CCO[C@@H]1COCC[C@@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000362022923 418741205 /nfs/dbraw/zinc/74/12/05/418741205.db2.gz HPIDIZZXBXKCLT-LSDHHAIUSA-N 1 0 310.350 1.757 20 5 DDBDRO CC1CC[NH+](C2CCC(NC(=O)[C@H]3C[C@@H]3[N+](=O)[O-])CC2)CC1 ZINC000370938558 418751562 /nfs/dbraw/zinc/75/15/62/418751562.db2.gz BFUBWUIXPRNQAS-WUCCLRPBSA-N 1 0 309.410 1.811 20 5 DDBDRO C[C@@H]1C[C@H](CNC(=O)[C@H]2C[C@@H]2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000370990177 418755639 /nfs/dbraw/zinc/75/56/39/418755639.db2.gz BZKUJDSQYWJIFQ-OJLVUWQFSA-N 1 0 317.389 1.678 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCCO[C@@H]2CCC[C@H]21 ZINC000372352676 418860031 /nfs/dbraw/zinc/86/00/31/418860031.db2.gz ZYEKAFWAMKQYQB-ZIAGYGMSSA-N 1 0 307.350 1.400 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCN([C@@H]2CCOC2)CC1 ZINC000365671376 418892349 /nfs/dbraw/zinc/89/23/49/418892349.db2.gz DMSPITNYQDVEEB-CYBMUJFWSA-N 1 0 319.361 1.450 20 5 DDBDRO CC[C@H](NC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cccc([N+](=O)[O-])c1 ZINC000417818206 419339792 /nfs/dbraw/zinc/33/97/92/419339792.db2.gz ARUUTFAMYDNGLF-RFQIPJPRSA-N 1 0 304.350 1.563 20 5 DDBDRO Cc1ccc([C@H](C)NC(=O)N2CC[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000417860079 419357696 /nfs/dbraw/zinc/35/76/96/419357696.db2.gz XPCIWLXMSRBYAC-NWDGAFQWSA-N 1 0 306.366 1.954 20 5 DDBDRO C[C@H]1C[C@@H](CO)C[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000420952399 419379211 /nfs/dbraw/zinc/37/92/11/419379211.db2.gz XWDXCUIEEUJJLA-NWDGAFQWSA-N 1 0 322.361 1.912 20 5 DDBDRO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCC[C@@H]3CCO)o2)cc1 ZINC000426256675 419421748 /nfs/dbraw/zinc/42/17/48/419421748.db2.gz SWYYZTBPPXFLKX-GFCCVEGCSA-N 1 0 318.333 1.992 20 5 DDBDRO C[C@@H](CCC[NH3+])NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000418085406 419520331 /nfs/dbraw/zinc/52/03/31/419520331.db2.gz VCRZCBFLNSOZTM-VIFPVBQESA-N 1 0 320.353 1.398 20 5 DDBDRO COc1cc(C[N@@H+]2CC[C@H](C(=O)N(C)C)C2)ccc1[N+](=O)[O-] ZINC000411936336 419505671 /nfs/dbraw/zinc/50/56/71/419505671.db2.gz FPBAVPZGZSPQQA-LBPRGKRZSA-N 1 0 307.350 1.514 20 5 DDBDRO COCCC[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000421776635 419725606 /nfs/dbraw/zinc/72/56/06/419725606.db2.gz UPGAWBHFUKOGAL-UHFFFAOYSA-N 1 0 323.393 1.910 20 5 DDBDRO C[C@@H](C[NH3+])CNC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000418461927 419816276 /nfs/dbraw/zinc/81/62/76/419816276.db2.gz AVOVCEOXWDLDFF-LBPRGKRZSA-N 1 0 321.381 1.021 20 5 DDBDRO C[C@@H](C[NH3+])CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000414943945 419883915 /nfs/dbraw/zinc/88/39/15/419883915.db2.gz FXPSTFJUWLLJPU-ZETCQYMHSA-N 1 0 318.280 1.913 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[NH+](CC2CC2)CC1 ZINC000299504279 229162154 /nfs/dbraw/zinc/16/21/54/229162154.db2.gz LLUJACVVEQAGMQ-UHFFFAOYSA-N 1 0 321.381 1.044 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]1CCCC(=O)N1 ZINC000433199776 229172734 /nfs/dbraw/zinc/17/27/34/229172734.db2.gz FBCGELZESQCFJL-LBPRGKRZSA-N 1 0 307.350 1.752 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@H]1C[NH2+]CCO1 ZINC000415297901 420012294 /nfs/dbraw/zinc/01/22/94/420012294.db2.gz ORFKMACNRHXLPZ-LLVKDONJSA-N 1 0 308.338 1.322 20 5 DDBDRO COc1cc(C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)cc([N+](=O)[O-])c1OC ZINC000429419463 420016814 /nfs/dbraw/zinc/01/68/14/420016814.db2.gz QZHZDEBQCHZHRZ-AOOOYVTPSA-N 1 0 323.349 1.434 20 5 DDBDRO Cc1ccc(NC(=O)C(=O)N2C[C@H](C[NH3+])C[C@@H]2C)cc1[N+](=O)[O-] ZINC000415531585 420101737 /nfs/dbraw/zinc/10/17/37/420101737.db2.gz VEHKIHLPSGTQNX-QWRGUYRKSA-N 1 0 320.349 1.037 20 5 DDBDRO C[NH+](C)CC[C@@](C)(O)CNC(=O)c1csc([N+](=O)[O-])c1 ZINC000420057434 420106627 /nfs/dbraw/zinc/10/66/27/420106627.db2.gz ZWUUUNNISCKHMB-GFCCVEGCSA-N 1 0 301.368 1.089 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000423645245 420111849 /nfs/dbraw/zinc/11/18/49/420111849.db2.gz QGSWJOGFZWBMPU-NWDGAFQWSA-N 1 0 319.361 1.675 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@H]1C[NH2+]CCO1 ZINC000415576419 420115539 /nfs/dbraw/zinc/11/55/39/420115539.db2.gz GEBBFLJPBLXECG-LLVKDONJSA-N 1 0 308.338 1.322 20 5 DDBDRO COC(=O)c1cc(C(=O)N[C@H](C)CCC[NH3+])cc([N+](=O)[O-])c1 ZINC000423662715 420119843 /nfs/dbraw/zinc/11/98/43/420119843.db2.gz FPYJBXHGPSXLOF-SECBINFHSA-N 1 0 309.322 1.239 20 5 DDBDRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)Nc3cc(F)cc([N+](=O)[O-])c3)C[C@H]12 ZINC000415636722 420131425 /nfs/dbraw/zinc/13/14/25/420131425.db2.gz YJEOYJUVYJTGQF-OXHMUOHRSA-N 1 0 308.313 1.935 20 5 DDBDRO C[NH2+][C@@H]1CCCN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000420161786 420136944 /nfs/dbraw/zinc/13/69/44/420136944.db2.gz WRJADBHWENVWRJ-LLVKDONJSA-N 1 0 303.322 1.833 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](CNC(C)=O)C1 ZINC000430223275 420091961 /nfs/dbraw/zinc/09/19/61/420091961.db2.gz UTNXCKNUATZBHW-CYBMUJFWSA-N 1 0 321.377 1.952 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000430226204 420092682 /nfs/dbraw/zinc/09/26/82/420092682.db2.gz MSQGDHJVRYWODF-JQWIXIFHSA-N 1 0 307.350 1.689 20 5 DDBDRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000415506311 420093109 /nfs/dbraw/zinc/09/31/09/420093109.db2.gz ZTRXVCFGNKYZDS-NSHDSACASA-N 1 0 322.365 1.475 20 5 DDBDRO CCC([NH3+])(CC)CNc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000420205998 420151594 /nfs/dbraw/zinc/15/15/94/420151594.db2.gz VKVSJIYEBWBFRN-UHFFFAOYSA-N 1 0 305.338 2.574 20 5 DDBDRO Cc1c(CC(=O)N[C@@H]2CC[NH2+]CC2(C)C)cccc1[N+](=O)[O-] ZINC000423754631 420162547 /nfs/dbraw/zinc/16/25/47/420162547.db2.gz ZXJLZYIYWLWXLZ-CQSZACIVSA-N 1 0 305.378 1.950 20 5 DDBDRO CCCN(CC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@@H]1CC[NH2+]C1 ZINC000430939362 420215889 /nfs/dbraw/zinc/21/58/89/420215889.db2.gz LADRAZZHYPBXKW-CQSZACIVSA-N 1 0 320.393 1.916 20 5 DDBDRO C[NH2+]C1CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000430958387 420223445 /nfs/dbraw/zinc/22/34/45/420223445.db2.gz SHELMHSTENAARG-UHFFFAOYSA-N 1 0 318.377 1.168 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@H]([NH3+])[C@@H]1C ZINC000420352301 420230006 /nfs/dbraw/zinc/23/00/06/420230006.db2.gz MGCAWNJSBCLWPT-JQWIXIFHSA-N 1 0 322.365 1.354 20 5 DDBDRO C[C@@H]([NH3+])[C@@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000420434734 420284026 /nfs/dbraw/zinc/28/40/26/420284026.db2.gz FJNAHYPBHMVHQH-RKDXNWHRSA-N 1 0 324.362 1.157 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430943488 420218087 /nfs/dbraw/zinc/21/80/87/420218087.db2.gz PERMEKFCFZAOPQ-VXGBXAGGSA-N 1 0 306.366 1.511 20 5 DDBDRO Cc1ccc(S(=O)(=O)N[C@H]2CCCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000420454059 420298133 /nfs/dbraw/zinc/29/81/33/420298133.db2.gz VNFBMZMVNFZVBR-NSHDSACASA-N 1 0 313.379 1.324 20 5 DDBDRO COc1cc(C(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)cc([N+](=O)[O-])c1C ZINC000424003502 420301187 /nfs/dbraw/zinc/30/11/87/420301187.db2.gz RGTHCTQTSQDOEP-MFKMUULPSA-N 1 0 321.377 1.969 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[NH2+][C@H](C)[C@H]1C ZINC000436055217 420304717 /nfs/dbraw/zinc/30/47/17/420304717.db2.gz IZJJNKMTWICSDW-VXGBXAGGSA-N 1 0 306.366 1.524 20 5 DDBDRO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000443808464 230032027 /nfs/dbraw/zinc/03/20/27/230032027.db2.gz YCYCURYCYMCSEJ-GFCCVEGCSA-N 1 0 322.365 1.250 20 5 DDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000417758697 420469999 /nfs/dbraw/zinc/46/99/99/420469999.db2.gz CPLJXBIZLMORIY-CQSZACIVSA-N 1 0 318.377 1.673 20 5 DDBDRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000417223394 420445677 /nfs/dbraw/zinc/44/56/77/420445677.db2.gz GQFDDXZPOFCMEW-UKRRQHHQSA-N 1 0 320.393 1.954 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+]C1(CO)CCCC1 ZINC000441054990 420628420 /nfs/dbraw/zinc/62/84/20/420628420.db2.gz WMCPXEXDQHREDN-UHFFFAOYSA-N 1 0 307.350 1.736 20 5 DDBDRO C[C@@]1(C[NH3+])CCN(C(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000493042059 420741543 /nfs/dbraw/zinc/74/15/43/420741543.db2.gz BCCSICBTCMRKCJ-QTLSWZBMSA-N 1 0 307.325 1.944 20 5 DDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C[C@H](C[NH3+])C[C@H]1C ZINC000442767506 420712451 /nfs/dbraw/zinc/71/24/51/420712451.db2.gz RASQXNCCOZMIMB-UTUOFQBUSA-N 1 0 306.366 1.591 20 5 DDBDRO COc1ccc(C[NH2+][C@@H]2C[C@@H]3CCCCN3C2=O)cc1[N+](=O)[O-] ZINC000453624861 420738877 /nfs/dbraw/zinc/73/88/77/420738877.db2.gz KDGGZFJUMDTAOO-QWHCGFSZSA-N 1 0 319.361 1.846 20 5 DDBDRO Cn1ccc(CC[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)n1 ZINC000447600799 420784271 /nfs/dbraw/zinc/78/42/71/420784271.db2.gz NRWFQEOALZOXED-KGLIPLIRSA-N 1 0 318.381 1.841 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2C[C@@H]3C[C@H]2CS3)c1 ZINC000459784536 420872073 /nfs/dbraw/zinc/87/20/73/420872073.db2.gz ACAXREOGHXPCAM-SCRDCRAPSA-N 1 0 310.375 1.524 20 5 DDBDRO CCC[NH2+][C@H](C)C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000449122868 420954491 /nfs/dbraw/zinc/95/44/91/420954491.db2.gz AQGQUGIRWBOITN-VXGBXAGGSA-N 1 0 321.381 1.391 20 5 DDBDRO CN(C(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-])[C@@H](C[NH3+])C1CC1 ZINC000493870811 420963679 /nfs/dbraw/zinc/96/36/79/420963679.db2.gz YXCXMKQTCNPSQJ-VSKVDJIOSA-N 1 0 307.325 1.943 20 5 DDBDRO CN(C(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000493731767 420927600 /nfs/dbraw/zinc/92/76/00/420927600.db2.gz YCJSWZMNLUPYBM-HYXAFXHYSA-N 1 0 307.325 1.958 20 5 DDBDRO O=C(COc1cccc([N+](=O)[O-])c1)N[C@H]1C[NH2+]CCC1(F)F ZINC000449667139 421051874 /nfs/dbraw/zinc/05/18/74/421051874.db2.gz UHQJOUVSBUWXKO-NSHDSACASA-N 1 0 315.276 1.087 20 5 DDBDRO O=[N+]([O-])c1ccc(CNC[C@H]2CCC[N@H+]2CCCO)c(F)c1 ZINC000449384185 421002001 /nfs/dbraw/zinc/00/20/01/421002001.db2.gz AGVMMESPKGQIKS-CQSZACIVSA-N 1 0 311.357 1.670 20 5 DDBDRO CC(C)[C@H]1CN(C(=O)Nc2ccncc2[N+](=O)[O-])CC[N@@H+]1C ZINC000487190412 421009042 /nfs/dbraw/zinc/00/90/42/421009042.db2.gz DBMAVNRFPOBVFS-CYBMUJFWSA-N 1 0 307.354 1.216 20 5 DDBDRO CC1(C)CN(C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000450081819 421139279 /nfs/dbraw/zinc/13/92/79/421139279.db2.gz OUNSAPXUWRNGTP-UHFFFAOYSA-N 1 0 319.361 1.768 20 5 DDBDRO CC[C@@H]1CN(C)CCN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000514750069 421451096 /nfs/dbraw/zinc/45/10/96/421451096.db2.gz KJGBNWAJACZZEB-GFCCVEGCSA-N 1 0 307.350 1.526 20 5 DDBDRO C[C@H]1[C@@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CCS1(=O)=O ZINC000552313052 421583532 /nfs/dbraw/zinc/58/35/32/421583532.db2.gz IXQOLBAHXCJFOG-RKLVJPFCSA-N 1 0 310.375 1.773 20 5 DDBDRO C[C@H]([NH2+]C[C@H](O)COC[C@H]1CCCO1)c1ccccc1[N+](=O)[O-] ZINC000553407098 421614203 /nfs/dbraw/zinc/61/42/03/421614203.db2.gz XWIDHAGSALNVLJ-MELADBBJSA-N 1 0 324.377 1.802 20 5 DDBDRO CNc1nccc(C(=O)N(C)CC2([NH+](C)C)CCC2)c1[N+](=O)[O-] ZINC000553558871 421620563 /nfs/dbraw/zinc/62/05/63/421620563.db2.gz VFDWDMONQCTPBT-UHFFFAOYSA-N 1 0 321.381 1.588 20 5 DDBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])cn2)C[C@H]1C ZINC000531634749 421641536 /nfs/dbraw/zinc/64/15/36/421641536.db2.gz JOTPWECCMASVLG-NEPJUHHUSA-N 1 0 306.366 1.935 20 5 DDBDRO COc1ccc(CC(=O)N2CCC[C@H](CC[NH3+])C2)cc1[N+](=O)[O-] ZINC000570716829 421664497 /nfs/dbraw/zinc/66/44/97/421664497.db2.gz AAYFWZTUQFMOGG-GFCCVEGCSA-N 1 0 321.377 1.733 20 5 DDBDRO CC(C)(C)[C@@H](C[NH3+])NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000571073675 421687247 /nfs/dbraw/zinc/68/72/47/421687247.db2.gz CFZAUNURQXFIRH-GFCCVEGCSA-N 1 0 323.349 1.469 20 5 DDBDRO COC1(CC[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CCC1 ZINC000519763805 421724646 /nfs/dbraw/zinc/72/46/46/421724646.db2.gz VGURDMOCBAOYFI-ZDUSSCGKSA-N 1 0 324.377 1.883 20 5 DDBDRO COC[C@]1(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC[NH2+]C1 ZINC000571873649 421749624 /nfs/dbraw/zinc/74/96/24/421749624.db2.gz ZXJFPYBJVHHWSS-HNNXBMFYSA-N 1 0 305.334 1.110 20 5 DDBDRO CC[NH+](CC)C[C@H](C)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000522188807 421819264 /nfs/dbraw/zinc/81/92/64/421819264.db2.gz NZVJXFXIVVHBRY-JTQLQIEISA-N 1 0 323.349 1.784 20 5 DDBDRO CC[NH+](CC)CCOCCNC(=O)c1cc([N+](=O)[O-])cn1C ZINC000541752925 421804762 /nfs/dbraw/zinc/80/47/62/421804762.db2.gz APNGVIGVOAAJOD-UHFFFAOYSA-N 1 0 312.370 1.022 20 5 DDBDRO C[N@@H+]1CCC[C@H]1C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000572760742 421857061 /nfs/dbraw/zinc/85/70/61/421857061.db2.gz YIIPZJHKEQOMKG-HNNXBMFYSA-N 1 0 316.361 1.829 20 5 DDBDRO COc1ccc(CNC(=O)C[N@@H+]2CC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000582130959 422118408 /nfs/dbraw/zinc/11/84/08/422118408.db2.gz SDBWSRGMIFILSV-NSHDSACASA-N 1 0 307.350 1.561 20 5 DDBDRO COc1ccc(CC(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC000575398928 422295912 /nfs/dbraw/zinc/29/59/12/422295912.db2.gz FRRQNOFWUYOZFC-GHMZBOCLSA-N 1 0 307.350 1.355 20 5 DDBDRO O=C(/C=C\c1cccc([N+](=O)[O-])c1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000320789360 271027084 /nfs/dbraw/zinc/02/70/84/271027084.db2.gz YTTQOWBVXJXLET-DTJRNEMCSA-N 1 0 301.346 1.818 20 5 DDBDRO CN(CCC[NH+]1CCCC1)C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000343748374 271854190 /nfs/dbraw/zinc/85/41/90/271854190.db2.gz LFWIYPROWDXGLX-UHFFFAOYSA-N 1 0 307.354 1.130 20 5 DDBDRO C[C@@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1)N1CC[NH+](C)CC1 ZINC000344563560 272060411 /nfs/dbraw/zinc/06/04/11/272060411.db2.gz XBNVWSXZTSLXOM-NSHDSACASA-N 1 0 324.356 1.100 20 5 DDBDRO C[NH+](C)CCOCCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000346016364 272389923 /nfs/dbraw/zinc/38/99/23/272389923.db2.gz SWJSYGBDZJQVFH-UHFFFAOYSA-N 1 0 315.757 1.556 20 5 DDBDRO CC[C@H](C)[N@H+](CCO)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000347479196 272703650 /nfs/dbraw/zinc/70/36/50/272703650.db2.gz RUFGDDGNJQTUAN-LBPRGKRZSA-N 1 0 309.366 1.935 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000420251994 274000836 /nfs/dbraw/zinc/00/08/36/274000836.db2.gz YPOCXEICBDKQSK-PHIMTYICSA-N 1 0 305.334 1.345 20 5 DDBDRO COC(=O)c1cc(NC(=O)N[C@@H](C)CC[NH3+])c(C)c([N+](=O)[O-])c1 ZINC000415593477 274000854 /nfs/dbraw/zinc/00/08/54/274000854.db2.gz FBYKVBYTZOTQEV-QMMMGPOBSA-N 1 0 324.337 1.549 20 5 DDBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000319969857 274967566 /nfs/dbraw/zinc/96/75/66/274967566.db2.gz DDVVSUJSXXUVII-ROAXPNGRSA-N 1 0 301.346 1.818 20 5 DDBDRO O=[N+]([O-])c1cnc2ccccc2c1N1CC[NH+](CCCO)CC1 ZINC000291579985 275041773 /nfs/dbraw/zinc/04/17/73/275041773.db2.gz GAKVETXATQQTHZ-UHFFFAOYSA-N 1 0 316.361 1.647 20 5 DDBDRO CCC[C@@H]1CN(c2ncccc2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000271012833 276031527 /nfs/dbraw/zinc/03/15/27/276031527.db2.gz YBJDBGUUMFVXLC-CYBMUJFWSA-N 1 0 308.382 1.927 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)NC2(C[NH+](C)C)CCC2)c1[N+](=O)[O-] ZINC000281579273 276041406 /nfs/dbraw/zinc/04/14/06/276041406.db2.gz BIZOGMXEDAJQQB-UHFFFAOYSA-N 1 0 309.370 1.655 20 5 DDBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000269361861 276173652 /nfs/dbraw/zinc/17/36/52/276173652.db2.gz JSOQEFDHECGJFL-SNVBAGLBSA-N 1 0 309.370 1.655 20 5 DDBDRO C[NH2+]C[C@H](C)CNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000154718477 277282464 /nfs/dbraw/zinc/28/24/64/277282464.db2.gz ZUBXKZFOHDVFLQ-VIFPVBQESA-N 1 0 318.333 1.022 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](CO)c1ccnn1C ZINC000459719049 279382905 /nfs/dbraw/zinc/38/29/05/279382905.db2.gz RROHWKLXCMXSCC-DGCLKSJQSA-N 1 0 304.350 1.583 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000423614871 280397867 /nfs/dbraw/zinc/39/78/67/280397867.db2.gz XXOKVTQBHNZMST-BETUJISGSA-N 1 0 303.362 1.811 20 5 DDBDRO Cc1ccc(C)c(S(=O)(=O)NC[C@@H]([NH3+])C(C)C)c1[N+](=O)[O-] ZINC000440758536 280798975 /nfs/dbraw/zinc/79/89/75/280798975.db2.gz VZIPWBULFZGPIV-LLVKDONJSA-N 1 0 315.395 1.473 20 5 DDBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)CC[NH+]1CCCC1 ZINC000089898415 281027303 /nfs/dbraw/zinc/02/73/03/281027303.db2.gz KVVWHQWGECHTAA-ZDUSSCGKSA-N 1 0 320.393 1.949 20 5 DDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)CC[NH+]1CCCC1 ZINC000089899066 281027841 /nfs/dbraw/zinc/02/78/41/281027841.db2.gz MBMIQRNYHCOFLP-CYBMUJFWSA-N 1 0 320.393 1.949 20 5 DDBDRO Cc1ccc(NCCCNC(=O)C[C@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000129647321 281352541 /nfs/dbraw/zinc/35/25/41/281352541.db2.gz GAAIGWILAVMTBT-CYBMUJFWSA-N 1 0 320.393 1.821 20 5 DDBDRO CC(C)C[C@@H](C[NH3+])NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000130949581 281400164 /nfs/dbraw/zinc/40/01/64/281400164.db2.gz GJJUMZPUFINWLT-LBPRGKRZSA-N 1 0 315.395 1.388 20 5 DDBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)c3ccc(F)cc3[N+](=O)[O-])C[C@H]21 ZINC000262101578 295309150 /nfs/dbraw/zinc/30/91/50/295309150.db2.gz IXGMCGCADXXFLA-OASPWFOLSA-N 1 0 307.325 1.933 20 5 DDBDRO Nc1c(C(=O)N2CCC[C@H]2C[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000178182760 295345148 /nfs/dbraw/zinc/34/51/48/295345148.db2.gz XJJTULDYRIEDDT-LBPRGKRZSA-N 1 0 318.377 1.877 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](CO)[C@@H]1CCOC1 ZINC000449303675 298919478 /nfs/dbraw/zinc/91/94/78/298919478.db2.gz YYCUQFDQMPOWHF-BPLDGKMQSA-N 1 0 308.378 1.760 20 5 DDBDRO NC(=O)c1ccnc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000357312601 299006097 /nfs/dbraw/zinc/00/60/97/299006097.db2.gz JNAMULTUGNQHIS-NXEZZACHSA-N 1 0 305.338 1.127 20 5 DDBDRO COc1cc(C[N@@H+]2C[C@@H]3CC[C@@H](O)[C@H]3C2)c([N+](=O)[O-])cc1F ZINC000362193322 300026073 /nfs/dbraw/zinc/02/60/73/300026073.db2.gz YOVXSKKYDKNBIL-NURSFMCSSA-N 1 0 310.325 1.945 20 5 DDBDRO Nc1ccc(C(=O)N2CCC3(C2)CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000362289779 300045138 /nfs/dbraw/zinc/04/51/38/300045138.db2.gz ZFQUJPFEUUIHRR-UHFFFAOYSA-N 1 0 304.350 1.393 20 5 DDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000363026609 300200233 /nfs/dbraw/zinc/20/02/33/300200233.db2.gz JVZMEJZCHFFVGX-DZGCQCFKSA-N 1 0 303.362 1.880 20 5 DDBDRO Nc1c(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000363123020 300214748 /nfs/dbraw/zinc/21/47/48/300214748.db2.gz WTDSOBFDQXEXQY-LLVKDONJSA-N 1 0 318.377 1.924 20 5 DDBDRO Nc1c(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000363123021 300214949 /nfs/dbraw/zinc/21/49/49/300214949.db2.gz WTDSOBFDQXEXQY-NSHDSACASA-N 1 0 318.377 1.924 20 5 DDBDRO O=C(CNc1ccccc1[N+](=O)[O-])N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000364082714 300342195 /nfs/dbraw/zinc/34/21/95/300342195.db2.gz JVISESNRMSOMRT-STQMWFEESA-N 1 0 318.377 1.750 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N[C@@H]1CC12CC[NH2+]CC2 ZINC000366570091 300719068 /nfs/dbraw/zinc/71/90/68/300719068.db2.gz POWNUIXWWGWOAH-CYBMUJFWSA-N 1 0 323.324 1.371 20 5 DDBDRO C[C@H](CO)[N@@H+]1CCCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000368953013 301109327 /nfs/dbraw/zinc/10/93/27/301109327.db2.gz ZGWFQIKJCFYHNR-CYBMUJFWSA-N 1 0 321.377 1.052 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]1CCCCC[NH2+]1 ZINC000575313092 304724390 /nfs/dbraw/zinc/72/43/90/304724390.db2.gz XXTKDEXFFCXAOO-CYBMUJFWSA-N 1 0 307.350 1.752 20 5 DDBDRO COC(=O)c1cc(C)nc(N2CC[NH+]3CCC2CC3)c1[N+](=O)[O-] ZINC000376473176 302081750 /nfs/dbraw/zinc/08/17/50/302081750.db2.gz GQCJUMMLZHWYNW-UHFFFAOYSA-N 1 0 320.349 1.369 20 5 DDBDRO O=C1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)[C@@H](C2CC2)N1 ZINC000376730591 302093198 /nfs/dbraw/zinc/09/31/98/302093198.db2.gz YRQNFTOGIHWRFR-DZGCQCFKSA-N 1 0 307.325 1.881 20 5 DDBDRO C[C@@H]1C[C@@H](C)N(C(=O)Cc2ccccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000397227588 302352778 /nfs/dbraw/zinc/35/27/78/302352778.db2.gz CSOWWNBTAPZNHD-YRGRVCCFSA-N 1 0 305.378 1.969 20 5 DDBDRO C[C@H](C[NH3+])CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000447243319 302395564 /nfs/dbraw/zinc/39/55/64/302395564.db2.gz ARZAFZNTUIYNHR-SSDOTTSWSA-N 1 0 307.759 1.121 20 5 DDBDRO CC[NH+](CC)CC[C@H](CO)NC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000537718057 303378480 /nfs/dbraw/zinc/37/84/80/303378480.db2.gz GPGLBRMTHOGQJD-CQSZACIVSA-N 1 0 323.393 1.726 20 5 DDBDRO C[NH+](C)CC(C)(C)NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000563168281 303928231 /nfs/dbraw/zinc/92/82/31/303928231.db2.gz DDOXSWSNARAZKY-UHFFFAOYSA-N 1 0 323.349 1.436 20 5 DDBDRO [NH3+][C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000364581791 307048578 /nfs/dbraw/zinc/04/85/78/307048578.db2.gz RDDJUYKNPYROCD-CNDDSTCGSA-N 1 0 305.334 1.454 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1CN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000366633685 307078048 /nfs/dbraw/zinc/07/80/48/307078048.db2.gz CKYCFGSEKRTCIW-JSGCOSHPSA-N 1 0 319.409 1.777 20 5 DDBDRO O=[N+]([O-])c1ccn(CCN2CCC[C@@H](C[NH+]3CCCCC3)C2)n1 ZINC000371197473 307144485 /nfs/dbraw/zinc/14/44/85/307144485.db2.gz WYZVZWPVRPYVBD-HNNXBMFYSA-N 1 0 321.425 1.989 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@H]2CCCC[C@@H]2N2CCOCC2)c1 ZINC000373116040 307179440 /nfs/dbraw/zinc/17/94/40/307179440.db2.gz RFDQRMSYIZDFNL-GJZGRUSLSA-N 1 0 323.397 1.024 20 5 DDBDRO O=C(/C=C\c1ccccc1[N+](=O)[O-])NC[C@H]1C[NH2+]CCCO1 ZINC000390113436 307293424 /nfs/dbraw/zinc/29/34/24/307293424.db2.gz CNBDTCCHQAEMEO-FMFIFOJESA-N 1 0 305.334 1.103 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)n1 ZINC000427252856 307302949 /nfs/dbraw/zinc/30/29/49/307302949.db2.gz ZBACYSYQQBXXMY-RYUDHWBXSA-N 1 0 323.397 1.804 20 5 DDBDRO CNc1ccc(C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000516284928 307414875 /nfs/dbraw/zinc/41/48/75/307414875.db2.gz KGMBMBPTDNRTKS-OAHLLOKOSA-N 1 0 304.350 1.462 20 5 DDBDRO COc1ccc(CC(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000564933851 308013255 /nfs/dbraw/zinc/01/32/55/308013255.db2.gz XMIITKFGIZZSFI-OLZOCXBDSA-N 1 0 319.361 1.356 20 5 DDBDRO Cc1nn(C)c(C(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC000567828345 308096771 /nfs/dbraw/zinc/09/67/71/308096771.db2.gz LOBZUHOYQDBIGL-NWDGAFQWSA-N 1 0 321.381 1.098 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CC2CC(F)(F)C2)c1 ZINC000568503344 308120400 /nfs/dbraw/zinc/12/04/00/308120400.db2.gz RWKKZXUUYSLFBI-LBPRGKRZSA-N 1 0 316.304 1.969 20 5 DDBDRO O=C(NCC[NH2+]C1CCCCCC1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000568760486 308129288 /nfs/dbraw/zinc/12/92/88/308129288.db2.gz MHFHMNCEZGXJPS-UHFFFAOYSA-N 1 0 322.365 1.738 20 5 DDBDRO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3ncccc3O)CC2)n1 ZINC000576907579 308348282 /nfs/dbraw/zinc/34/82/82/308348282.db2.gz LJBFCBQNCJNAEQ-UHFFFAOYSA-N 1 0 303.322 1.729 20 5 DDBDRO COc1cccc([N+](=O)[O-])c1NC[C@@H](C)N1CC[NH+](C)CC1 ZINC000577077565 308361605 /nfs/dbraw/zinc/36/16/05/308361605.db2.gz QPUUDXYKGHGKTO-GFCCVEGCSA-N 1 0 308.382 1.651 20 5 DDBDRO COC[C@@H](O)C[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000578880482 308492057 /nfs/dbraw/zinc/49/20/57/308492057.db2.gz GCZBYPVLXHOKED-NSHDSACASA-N 1 0 308.256 1.711 20 5 DDBDRO O=C(NCC[C@H]1CCC[NH2+]C1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000581305197 325827034 /nfs/dbraw/zinc/82/70/34/325827034.db2.gz VAMSRAONLDIVQG-SNVBAGLBSA-N 1 0 321.333 1.443 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]Cc2cc3ccccc3o2)c1 ZINC000583256196 337290338 /nfs/dbraw/zinc/29/03/38/337290338.db2.gz ANAQEJUYKGGSGQ-ZDUSSCGKSA-N 1 0 316.317 1.688 20 5 DDBDRO COCC[N@H+](C)CCNC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000209701064 484137423 /nfs/dbraw/zinc/13/74/23/484137423.db2.gz WALZMXZAHUKVBS-SREVYHEPSA-N 1 0 307.350 1.302 20 5 DDBDRO COc1ccc(C(=O)N[C@H](CC[NH3+])C(F)(F)F)cc1[N+](=O)[O-] ZINC000307803241 484376556 /nfs/dbraw/zinc/37/65/56/484376556.db2.gz CBGDCXIGQDJGID-SNVBAGLBSA-N 1 0 321.255 1.613 20 5 DDBDRO COc1cc(C[NH2+]C[C@@H]2CCCC(=O)N2)c([N+](=O)[O-])cc1OC ZINC000433193414 533880792 /nfs/dbraw/zinc/88/07/92/533880792.db2.gz JWESAIPFHSSNFP-NSHDSACASA-N 1 0 323.349 1.370 20 5 DDBDRO C[C@H]1OCC[C@]1(C)[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000494204868 534129784 /nfs/dbraw/zinc/12/97/84/534129784.db2.gz MKRLRWMSHVIMRZ-BZNIZROVSA-N 1 0 319.361 1.641 20 5 DDBDRO CC(C)[C@H]([NH3+])CCN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000156743589 519817746 /nfs/dbraw/zinc/81/77/46/519817746.db2.gz HWMISURSOZVOTI-CYBMUJFWSA-N 1 0 315.395 1.589 20 5 DDBDRO CC[N@@H+]1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])c(NC)n2)C1 ZINC000454924946 527812676 /nfs/dbraw/zinc/81/26/76/527812676.db2.gz LFYJYRSMSLIPJO-SNVBAGLBSA-N 1 0 307.354 1.103 20 5 DDBDRO CC[NH+](CC)CCO[C@H]1CCN(c2ncc([N+](=O)[O-])s2)C1 ZINC000443507632 528149325 /nfs/dbraw/zinc/14/93/25/528149325.db2.gz IHGZVVZRWWFYEA-NSHDSACASA-N 1 0 314.411 1.988 20 5 DDBDRO CCC[N@@H+]1CCCN(c2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000301966307 528218665 /nfs/dbraw/zinc/21/86/65/528218665.db2.gz KPDMGWJDTWHSGS-UHFFFAOYSA-N 1 0 304.354 1.560 20 5 DDBDRO CC[NH2+]CCNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000414820701 528329401 /nfs/dbraw/zinc/32/94/01/528329401.db2.gz CTPMJEIDTOKSCV-UHFFFAOYSA-N 1 0 303.366 1.694 20 5 DDBDRO CC[C@H]1C[N@H+](CC)CCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000451730760 529290096 /nfs/dbraw/zinc/29/00/96/529290096.db2.gz PSYBRLHSJWFPSG-AWEZNQCLSA-N 1 0 320.393 1.610 20 5 DDBDRO C[NH+](C)[C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC000736755694 598506396 /nfs/dbraw/zinc/50/63/96/598506396.db2.gz DEBFOEREWJBJKV-LLVKDONJSA-N 1 0 317.353 1.305 20 5 DDBDRO CCCC[N@H+](C)CCNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC000821062155 606709253 /nfs/dbraw/zinc/70/92/53/606709253.db2.gz UTOVXTKOPJLXHZ-UHFFFAOYSA-N 1 0 320.357 1.314 20 5 DDBDRO Cc1cc(C(=O)N2CCC([NH+](C)C)CC2)c(N)c([N+](=O)[O-])c1 ZINC000104846890 696621281 /nfs/dbraw/zinc/62/12/81/696621281.db2.gz FQCYWTBHZGKXMD-UHFFFAOYSA-N 1 0 306.366 1.652 20 5 DDBDRO [NH3+]C1(CO)CCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000114183143 696660136 /nfs/dbraw/zinc/66/01/36/696660136.db2.gz KVLAODAIFOFEGT-UHFFFAOYSA-N 1 0 302.334 1.433 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCC[S@](C)=O ZINC000116918283 696669151 /nfs/dbraw/zinc/66/91/51/696669151.db2.gz GKRBJPDSRBYQRO-HXUWFJFHSA-N 1 0 300.380 1.852 20 5 DDBDRO Cc1cc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cs1 ZINC000983652412 697286531 /nfs/dbraw/zinc/28/65/31/697286531.db2.gz CFNRGWDYKHEFNF-FMKGYKFTSA-N 1 0 323.418 1.706 20 5 DDBDRO C[NH+]1CCC(ONC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000773548473 697777531 /nfs/dbraw/zinc/77/75/31/697777531.db2.gz YBQNOVNBAWKGOA-UHFFFAOYSA-N 1 0 318.333 1.832 20 5 DDBDRO C[NH+]1CCC(ONC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000773549080 697777650 /nfs/dbraw/zinc/77/76/50/697777650.db2.gz HCLYRGBLJUMUFQ-QPJJXVBHSA-N 1 0 305.334 1.750 20 5 DDBDRO Cc1nc2n(n1)C[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)CC2 ZINC000749686062 700177258 /nfs/dbraw/zinc/17/72/58/700177258.db2.gz CGYVJTRLCBTAQS-OCCSQVGLSA-N 1 0 317.349 1.133 20 5 DDBDRO COC(=O)[C@H]1CCC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776581557 698121120 /nfs/dbraw/zinc/12/11/20/698121120.db2.gz JZJBJXXZAGHWJI-GXTWGEPZSA-N 1 0 308.334 1.513 20 5 DDBDRO CNC(=O)[C@@H]1CCC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776582448 698121509 /nfs/dbraw/zinc/12/15/09/698121509.db2.gz QOYVJOBTSZLIDS-TZMCWYRMSA-N 1 0 307.350 1.086 20 5 DDBDRO COC(=O)CC[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000776583149 698121665 /nfs/dbraw/zinc/12/16/65/698121665.db2.gz XYCMXGUKXMHAOC-CQSZACIVSA-N 1 0 310.350 1.902 20 5 DDBDRO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776583088 698121718 /nfs/dbraw/zinc/12/17/18/698121718.db2.gz ZLXFRRANJPGGTM-OSMZGAPFSA-N 1 0 307.350 1.214 20 5 DDBDRO C[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C[NH3+] ZINC000253194317 698404563 /nfs/dbraw/zinc/40/45/63/698404563.db2.gz PVTLUOUXTVLZNX-GHMZBOCLSA-N 1 0 313.379 1.200 20 5 DDBDRO CC(C)N1CCO[C@H](C(=[NH2+])NOCc2ccc([N+](=O)[O-])cc2)C1 ZINC000779649653 698447926 /nfs/dbraw/zinc/44/79/26/698447926.db2.gz KAMKJPJAPSFMAZ-AWEZNQCLSA-N 1 0 322.365 1.702 20 5 DDBDRO COC[C@]1(CNC(=O)Nc2cccc([N+](=O)[O-])c2)CCC[NH2+]1 ZINC000262429640 698469062 /nfs/dbraw/zinc/46/90/62/698469062.db2.gz FROPJXIIKYHKDA-CQSZACIVSA-N 1 0 308.338 1.485 20 5 DDBDRO Cc1nn(CN2CCC(C(=O)N(C)C(C)C)CC2)cc1[N+](=O)[O-] ZINC000779860195 698476308 /nfs/dbraw/zinc/47/63/08/698476308.db2.gz RYXLTSJIRPYGAX-UHFFFAOYSA-N 1 0 323.397 1.636 20 5 DDBDRO C[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C(C)(C)CO ZINC000782494150 698730573 /nfs/dbraw/zinc/73/05/73/698730573.db2.gz BUEQTZVGBBYNGN-UHFFFAOYSA-N 1 0 313.329 1.765 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H](CO)C2CCOCC2)c1 ZINC000782528474 698734163 /nfs/dbraw/zinc/73/41/63/698734163.db2.gz OAVFIEKYTCJJKC-GJZGRUSLSA-N 1 0 310.350 1.005 20 5 DDBDRO O=C(COc1cccc([N+](=O)[O-])c1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000424031181 699147753 /nfs/dbraw/zinc/14/77/53/699147753.db2.gz SEKGTFPAFYYJIH-OAHLLOKOSA-N 1 0 305.334 1.328 20 5 DDBDRO O=C(CCn1cc([N+](=O)[O-])cn1)O[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000788114519 699280006 /nfs/dbraw/zinc/28/00/06/699280006.db2.gz FCOOEUVZPJXXTJ-WCQYABFASA-N 1 0 308.338 1.351 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](C2OCCO2)C1 ZINC000718986438 699296742 /nfs/dbraw/zinc/29/67/42/699296742.db2.gz DPZVHBFHZLAXJP-LLVKDONJSA-N 1 0 308.334 1.798 20 5 DDBDRO C[C@@H]([NH2+]C[C@@]1(CCO)CCOC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788630897 699329144 /nfs/dbraw/zinc/32/91/44/699329144.db2.gz JPAGVYZOXREPCO-IAQYHMDHSA-N 1 0 309.366 1.617 20 5 DDBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC[C@]12CC[NH2+]C2 ZINC000725373550 699331355 /nfs/dbraw/zinc/33/13/55/699331355.db2.gz YRLIJOQOOMKZFQ-CYBMUJFWSA-N 1 0 311.363 1.111 20 5 DDBDRO C/C(=C\C(=O)NC[C@@](C)(O)C[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000752650848 700377829 /nfs/dbraw/zinc/37/78/29/700377829.db2.gz IERZXSKVLFUSEP-ONOODXEBSA-N 1 0 321.377 1.427 20 5 DDBDRO CN(C)c1ccc(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000756026411 700599420 /nfs/dbraw/zinc/59/94/20/700599420.db2.gz WSMHMOCFYVHZNQ-OAHLLOKOSA-N 1 0 316.361 1.879 20 5 DDBDRO CCNS(=O)(=O)CC[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761522420 700862666 /nfs/dbraw/zinc/86/26/66/700862666.db2.gz YTTFFJQDHRERBH-UHFFFAOYSA-N 1 0 321.786 1.277 20 5 DDBDRO Cc1nn(C[NH+]2CCC(C(N)=O)CC2)c2ccc([N+](=O)[O-])cc12 ZINC000764844244 700988274 /nfs/dbraw/zinc/98/82/74/700988274.db2.gz JVPGJZOTEOPJPK-UHFFFAOYSA-N 1 0 317.349 1.408 20 5 DDBDRO Cc1nn(CN2CC[C@@H]([NH+]3CCCC3)[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000808191021 701506649 /nfs/dbraw/zinc/50/66/49/701506649.db2.gz JWURBOHZEKYSPB-TZMCWYRMSA-N 1 0 307.398 1.924 20 5 DDBDRO O=C(NCCN1CCc2c(Cl)cccc2C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839733145 701802116 /nfs/dbraw/zinc/80/21/16/701802116.db2.gz IBKHOKQMANBUKC-TZMCWYRMSA-N 1 0 323.780 1.480 20 5 DDBDRO C[C@@]([NH3+])(C(=O)NC[C@]1(C)CC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000867984664 701874414 /nfs/dbraw/zinc/87/44/14/701874414.db2.gz MYWYKBUTQKZUJV-STQMWFEESA-N 1 0 313.304 1.930 20 5 DDBDRO C[C@]1(NC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CC[NH2+]C1 ZINC000831055891 706627677 /nfs/dbraw/zinc/62/76/77/706627677.db2.gz QKXHWOBZSGOPLU-ZDUSSCGKSA-N 1 0 312.757 1.799 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000812324833 702150536 /nfs/dbraw/zinc/15/05/36/702150536.db2.gz ZAOHAIZVYYXMNG-NWDGAFQWSA-N 1 0 319.361 1.627 20 5 DDBDRO COC1([C@@H](C)[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000817295942 702333862 /nfs/dbraw/zinc/33/38/62/702333862.db2.gz ADRKGGAIOWYJSS-IUODEOHRSA-N 1 0 324.377 1.802 20 5 DDBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H](C)S(C)(=O)=O ZINC000866311138 706671027 /nfs/dbraw/zinc/67/10/27/706671027.db2.gz QWRCFRPGHZJDRE-NXEZZACHSA-N 1 0 318.370 1.688 20 5 DDBDRO C[NH+](C)CCCS(=O)(=O)Oc1cc(F)ccc1[N+](=O)[O-] ZINC000866389531 706687778 /nfs/dbraw/zinc/68/77/78/706687778.db2.gz UXJXRWRRUZFMLZ-UHFFFAOYSA-N 1 0 306.315 1.394 20 5 DDBDRO [NH3+]CCN1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000842471855 702724713 /nfs/dbraw/zinc/72/47/13/702724713.db2.gz DHJWUUYLHRQZCZ-UHFFFAOYSA-N 1 0 318.299 1.694 20 5 DDBDRO Cc1cc(Cl)c(S(=O)(=O)N[C@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000842762873 702769034 /nfs/dbraw/zinc/76/90/34/702769034.db2.gz VBZCCIFNSHGIMW-SSDOTTSWSA-N 1 0 307.759 1.182 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CC[C@H](O)C(F)(F)F)cc1 ZINC000843074197 702813995 /nfs/dbraw/zinc/81/39/95/702813995.db2.gz XYAUCBUYVIMGBF-QWRGUYRKSA-N 1 0 308.256 1.531 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@@H](CO)c2cccnc2)cc1 ZINC000843084211 702815767 /nfs/dbraw/zinc/81/57/67/702815767.db2.gz WEBYEZSARPOBQA-GOEBONIOSA-N 1 0 317.345 1.389 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2CCCC(F)(F)[C@H]2O)c1 ZINC000843113905 702821697 /nfs/dbraw/zinc/82/16/97/702821697.db2.gz BDOFLOWOEBCMMN-UPJWGTAASA-N 1 0 316.304 1.767 20 5 DDBDRO Cc1nc([N+](=O)[O-])c(-c2noc([C@H]3CC34CC[NH2+]CC4)n2)n1C ZINC000843221550 702844632 /nfs/dbraw/zinc/84/46/32/702844632.db2.gz JKTDGDJFPOZPLV-SECBINFHSA-N 1 0 318.337 1.544 20 5 DDBDRO C[NH2+]C1CCN(C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)CC1 ZINC000843340919 702862664 /nfs/dbraw/zinc/86/26/64/702862664.db2.gz VYXAZDRTUTXWOB-UHFFFAOYSA-N 1 0 322.321 1.635 20 5 DDBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1C[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC000843900829 702939716 /nfs/dbraw/zinc/93/97/16/702939716.db2.gz KEJLJOZDLDBFCU-MFKMUULPSA-N 1 0 307.325 1.818 20 5 DDBDRO NC(=O)c1ccc(C[N@@H+]2CC[C@@H]3CSC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000879561541 706718112 /nfs/dbraw/zinc/71/81/12/706718112.db2.gz QFXBGHGIWHEHGK-OLZOCXBDSA-N 1 0 321.402 1.879 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(C[C@H](O)c3cccc([N+](=O)[O-])c3)CC[C@H]21 ZINC000879577503 706724984 /nfs/dbraw/zinc/72/49/84/706724984.db2.gz JRKSOZRIZFNERO-BMFZPTHFSA-N 1 0 305.378 1.654 20 5 DDBDRO CCN1C[C@@H](C[N@H+](C)CCc2ccccc2[N+](=O)[O-])OC1=O ZINC000846901843 703349313 /nfs/dbraw/zinc/34/93/13/703349313.db2.gz QGCQXFQUDUPCOX-CYBMUJFWSA-N 1 0 307.350 1.910 20 5 DDBDRO CCO[C@@H](CNC(=O)c1c(F)cccc1[N+](=O)[O-])C[NH+](C)C ZINC000831701318 706756685 /nfs/dbraw/zinc/75/66/85/706756685.db2.gz AICOWUUSRSGMFL-JTQLQIEISA-N 1 0 313.329 1.430 20 5 DDBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](CCOC(F)F)C2)nc1 ZINC000851843643 703868734 /nfs/dbraw/zinc/86/87/34/703868734.db2.gz JYYLMWVDCQTHCH-VIFPVBQESA-N 1 0 302.281 1.715 20 5 DDBDRO COC(CC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)OC ZINC000851843887 703868813 /nfs/dbraw/zinc/86/88/13/703868813.db2.gz NYBWTXAJJLYTEE-NSHDSACASA-N 1 0 310.354 1.485 20 5 DDBDRO C[NH+](C)CCCS(=O)(=O)Oc1ccc(F)cc1[N+](=O)[O-] ZINC000866713778 706773516 /nfs/dbraw/zinc/77/35/16/706773516.db2.gz WVUPPSKCLVBXSK-UHFFFAOYSA-N 1 0 306.315 1.394 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+]C1([C@@H]2CCCCO2)CCC1 ZINC000879734037 706775725 /nfs/dbraw/zinc/77/57/25/706775725.db2.gz CUAVPILLJAQAMX-AWEZNQCLSA-N 1 0 321.377 1.838 20 5 DDBDRO CCO[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1)C[NH+](C)C ZINC000831777373 706777744 /nfs/dbraw/zinc/77/77/44/706777744.db2.gz YCOHLIQTMOHBGP-AWEZNQCLSA-N 1 0 309.366 1.220 20 5 DDBDRO CC(C)N1C[C@@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000818996652 704047269 /nfs/dbraw/zinc/04/72/69/704047269.db2.gz VAOOKCPVDMJBRM-JSGCOSHPSA-N 1 0 307.350 1.227 20 5 DDBDRO COC(=O)C1CCC([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000819031143 704055223 /nfs/dbraw/zinc/05/52/23/704055223.db2.gz HLMFNCYHNVEOFI-ABIUDSBCSA-N 1 0 322.361 1.950 20 5 DDBDRO Cc1cccc(F)c1C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000819113031 704071412 /nfs/dbraw/zinc/07/14/12/704071412.db2.gz KPVUFHPDCCQTOR-LBPRGKRZSA-N 1 0 308.313 1.390 20 5 DDBDRO CCNC(=O)C(C)(C)C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819183418 704082826 /nfs/dbraw/zinc/08/28/26/704082826.db2.gz WMUVSQKQYHTTKJ-ZDUSSCGKSA-N 1 0 309.366 1.380 20 5 DDBDRO CC(C)C(=O)NCCC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819189189 704083591 /nfs/dbraw/zinc/08/35/91/704083591.db2.gz QHDRQOVRSHJHAY-AWEZNQCLSA-N 1 0 309.366 1.380 20 5 DDBDRO O=C1C[C@@H](C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CN1C1CC1 ZINC000819217863 704088706 /nfs/dbraw/zinc/08/87/06/704088706.db2.gz HHQQRJKGRUESRG-NHYWBVRUSA-N 1 0 319.361 1.229 20 5 DDBDRO CS(=O)(=O)CC[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000819319856 704106873 /nfs/dbraw/zinc/10/68/73/704106873.db2.gz VDTJNDLXXNUUOS-UHFFFAOYSA-N 1 0 311.363 1.253 20 5 DDBDRO Cc1cc(S(=O)(=O)N[C@@]2(C)CC[NH2+]C2)cc([N+](=O)[O-])c1F ZINC000853082304 704192973 /nfs/dbraw/zinc/19/29/73/704192973.db2.gz GOHVATWKJYSXJA-LBPRGKRZSA-N 1 0 317.342 1.073 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](C)C[NH+](C)C)cc1F ZINC000867270096 706943543 /nfs/dbraw/zinc/94/35/43/706943543.db2.gz OCAPITZMMJQIOG-VIFPVBQESA-N 1 0 319.358 1.271 20 5 DDBDRO Cc1cc(C)c(S(=O)(=O)N(C)C[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000858640350 704738362 /nfs/dbraw/zinc/73/83/62/704738362.db2.gz NIBKNYOJPMOPHW-SNVBAGLBSA-N 1 0 301.368 1.179 20 5 DDBDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823994001 705350901 /nfs/dbraw/zinc/35/09/01/705350901.db2.gz MXFJQKBJVQPSCA-LLVKDONJSA-N 1 0 321.381 1.983 20 5 DDBDRO CO[C@@H]1COCC[C@H]1C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834880455 707145948 /nfs/dbraw/zinc/14/59/48/707145948.db2.gz BLXLBCABPZKJPG-ITDIGPHOSA-N 1 0 309.366 1.879 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@H]1C[C@@H]([NH+](C)C)C12CCC2 ZINC000825527930 705687919 /nfs/dbraw/zinc/68/79/19/705687919.db2.gz UPRSDUWCTDXDAC-NWDGAFQWSA-N 1 0 321.381 1.089 20 5 DDBDRO O=C(NCCNc1ccccc1[N+](=O)[O-])[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876563648 705759660 /nfs/dbraw/zinc/75/96/60/705759660.db2.gz KUGDSAXRBMECDY-MFKMUULPSA-N 1 0 310.329 1.071 20 5 DDBDRO CC(C)(NC(=O)[C@H](F)[C@@H]1CC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000876696242 705823945 /nfs/dbraw/zinc/82/39/45/705823945.db2.gz RAVWBIVPARGOKB-ZWNOBZJWSA-N 1 0 309.341 1.894 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)C[C@@H](C)[NH3+] ZINC000863568840 705960501 /nfs/dbraw/zinc/96/05/01/705960501.db2.gz NPQWVFDRZHKWEJ-SNVBAGLBSA-N 1 0 310.354 1.211 20 5 DDBDRO C[N@@H+]1CC[C@H]2CN(C(=O)Cc3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000827310045 705973379 /nfs/dbraw/zinc/97/33/79/705973379.db2.gz JJKDZNCTCYJWRH-ZFWWWQNUSA-N 1 0 303.362 1.690 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000827358352 705984927 /nfs/dbraw/zinc/98/49/27/705984927.db2.gz XRYPVLAMQDANTA-BXUZGUMPSA-N 1 0 304.350 1.464 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000877169966 706005392 /nfs/dbraw/zinc/00/53/92/706005392.db2.gz VVGMSOISRRPSEO-PHIMTYICSA-N 1 0 304.350 1.237 20 5 DDBDRO C[N@@H+]1CCC[C@H]1CNC(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC000827626233 706039728 /nfs/dbraw/zinc/03/97/28/706039728.db2.gz UISVVSHFWCWQEE-ZDUSSCGKSA-N 1 0 309.341 1.877 20 5 DDBDRO CCOC(=O)[C@H](C)C1CN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000871993181 707272239 /nfs/dbraw/zinc/27/22/39/707272239.db2.gz MHTJCIKNHLKMQT-ABAIWWIYSA-N 1 0 322.361 1.759 20 5 DDBDRO C[C@@H]1[C@H](NC(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000830110207 706456523 /nfs/dbraw/zinc/45/65/23/706456523.db2.gz BQSDJGYEUARYBU-QPKOPYBWSA-N 1 0 303.362 1.907 20 5 DDBDRO CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000832071668 706837757 /nfs/dbraw/zinc/83/77/57/706837757.db2.gz KBHXNODTVFAHTF-QLFBSQMISA-N 1 0 322.361 1.950 20 5 DDBDRO CC[N@@H+]1CCN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])C[C@H]1C ZINC000866948392 706853233 /nfs/dbraw/zinc/85/32/33/706853233.db2.gz HYMJYRDYVMHIAX-LLVKDONJSA-N 1 0 309.341 1.829 20 5 DDBDRO O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)NCC[C@@H]1CC[NH2+]C1 ZINC000832635435 706953797 /nfs/dbraw/zinc/95/37/97/706953797.db2.gz PRXYTOYNDWJEPZ-NSHDSACASA-N 1 0 317.349 1.060 20 5 DDBDRO COc1ccc(C[N@@H+](C)[C@@H]2CCOC[C@@H]2OC)cc1[N+](=O)[O-] ZINC000880425584 706970376 /nfs/dbraw/zinc/97/03/76/706970376.db2.gz GHAWSLYHBHVUPG-DOMZBBRYSA-N 1 0 310.350 1.839 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CCN1CCC(C)([NH+]2CCC2)CC1 ZINC000880475968 706985374 /nfs/dbraw/zinc/98/53/74/706985374.db2.gz KXCGPKAZPYAZQC-UHFFFAOYSA-N 1 0 307.398 1.660 20 5 DDBDRO Cc1c(NC(=O)CC[N@@H+]2CC=C[C@H]2CO)cccc1[N+](=O)[O-] ZINC000880490159 706992747 /nfs/dbraw/zinc/99/27/47/706992747.db2.gz MLQWBORTPHWEPB-LBPRGKRZSA-N 1 0 305.334 1.465 20 5 DDBDRO CC(C)(O)C[C@H](O)C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000871966821 707258264 /nfs/dbraw/zinc/25/82/64/707258264.db2.gz YEUQXUIREUVYKL-HNNXBMFYSA-N 1 0 323.393 1.239 20 5 DDBDRO C[C@@H]1CCC[C@@H](C2C[NH+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)C1 ZINC000871991037 707271220 /nfs/dbraw/zinc/27/12/20/707271220.db2.gz NLVFWBYFIKQCBZ-IOASZLSFSA-N 1 0 322.409 1.910 20 5 DDBDRO Cc1c(C[NH2+]C[C@@]23COC(=O)N2CCOC3)cccc1[N+](=O)[O-] ZINC000872260525 707352809 /nfs/dbraw/zinc/35/28/09/707352809.db2.gz BIURSYOYHDRSAL-OAHLLOKOSA-N 1 0 321.333 1.214 20 5 DDBDRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2c1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000872779583 707597046 /nfs/dbraw/zinc/59/70/46/707597046.db2.gz GTERTWXKJNRIIW-KBPBESRZSA-N 1 0 306.366 1.342 20 5 DDBDRO CC1([NH+]2CCC2)CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000882503257 707669920 /nfs/dbraw/zinc/66/99/20/707669920.db2.gz PLSGBEVDKDBGSD-UHFFFAOYSA-N 1 0 321.381 1.268 20 5 DDBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)C[C@H](C)[NH2+]1 ZINC000882627438 707721985 /nfs/dbraw/zinc/72/19/85/707721985.db2.gz NREWITRLFZFDSY-PHIMTYICSA-N 1 0 318.377 1.674 20 5 DDBDRO O=[N+]([O-])c1c(F)nccc1N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000882636704 707726634 /nfs/dbraw/zinc/72/66/34/707726634.db2.gz WCUYRQSATSUNSL-LLVKDONJSA-N 1 0 310.329 1.164 20 5 DDBDRO O=[N+]([O-])c1cnc(N2CCC[C@@H]([NH2+]C3CCOCC3)C2)s1 ZINC000882726115 707762855 /nfs/dbraw/zinc/76/28/55/707762855.db2.gz KCSVFCBVSUTDLB-LLVKDONJSA-N 1 0 312.395 1.789 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CCOC(=O)C(C)(C)[NH+]1CCCC1 ZINC000873392856 707835270 /nfs/dbraw/zinc/83/52/70/707835270.db2.gz HNBYKRALOJWXAP-UHFFFAOYSA-N 1 0 310.354 1.517 20 5 DDBDRO COC(=O)c1ccnc(N(C)CC(C)(C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000897419434 708321200 /nfs/dbraw/zinc/32/12/00/708321200.db2.gz KKTCOVLXJMLDJX-UHFFFAOYSA-N 1 0 324.381 1.800 20 5 DDBDRO C[C@H](C[NH2+]C1CCS(=O)(=O)CC1)c1ccccc1[N+](=O)[O-] ZINC000897461699 708338807 /nfs/dbraw/zinc/33/88/07/708338807.db2.gz VSADYKHQDDCWPD-LLVKDONJSA-N 1 0 312.391 1.865 20 5 DDBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+][C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@H]13)OCCO2 ZINC000897822600 708461282 /nfs/dbraw/zinc/46/12/82/708461282.db2.gz DQZMXOQAPCZRSW-GCCGGCASSA-N 1 0 318.329 1.631 20 5 DDBDRO CN(CC[N@H+](C)CCO)C(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000912603695 713044132 /nfs/dbraw/zinc/04/41/32/713044132.db2.gz LSOQTMQFURTIHX-UHFFFAOYSA-N 1 0 323.393 1.255 20 5 DDBDRO O=[N+]([O-])c1ncccc1CN1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000886021129 708682747 /nfs/dbraw/zinc/68/27/47/708682747.db2.gz PJVCUCHRJZEGKR-ZDUSSCGKSA-N 1 0 306.366 1.144 20 5 DDBDRO COC(=O)[C@H]1CC[C@@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000886547422 708776046 /nfs/dbraw/zinc/77/60/46/708776046.db2.gz LBXULYKNZQATSE-NWDGAFQWSA-N 1 0 308.334 1.905 20 5 DDBDRO COC[C@H]([NH2+]CCn1c(C)ncc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000886918182 708894391 /nfs/dbraw/zinc/89/43/91/708894391.db2.gz TYPVDUULUHZYHH-OLZOCXBDSA-N 1 0 312.370 1.131 20 5 DDBDRO CNc1nccc(C(=O)N2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)c1[N+](=O)[O-] ZINC000887926289 709166445 /nfs/dbraw/zinc/16/64/45/709166445.db2.gz CUDQBEHXHCSBRQ-ZUZCIYMTSA-N 1 0 319.365 1.055 20 5 DDBDRO O=[N+]([O-])CC[NH2+]C[C@H](O)COc1cccc(C(F)(F)F)c1 ZINC000899873791 709224200 /nfs/dbraw/zinc/22/42/00/709224200.db2.gz UOJKCBHGGZEWCM-JTQLQIEISA-N 1 0 308.256 1.311 20 5 DDBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889778943 709630670 /nfs/dbraw/zinc/63/06/70/709630670.db2.gz CEBSESVAAWCXKD-GJZGRUSLSA-N 1 0 319.361 1.266 20 5 DDBDRO CCCc1n[nH]c(C(=O)N2CC[C@H]([NH+]3CCC3)C2)c1[N+](=O)[O-] ZINC000912916749 713123041 /nfs/dbraw/zinc/12/30/41/713123041.db2.gz RLZFVEFAVHALHZ-JTQLQIEISA-N 1 0 307.354 1.191 20 5 DDBDRO CCN(C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1)[C@@H]1CC[NH2+]C1 ZINC000891399216 710185162 /nfs/dbraw/zinc/18/51/62/710185162.db2.gz OCSGBZMSEJVQOR-GFCCVEGCSA-N 1 0 322.365 1.497 20 5 DDBDRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)NCc1cccc([N+](=O)[O-])c1)C2 ZINC000891445332 710203339 /nfs/dbraw/zinc/20/33/39/710203339.db2.gz IJOKBAWCJQNLKY-SWLSCSKDSA-N 1 0 304.350 1.346 20 5 DDBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000891447812 710204424 /nfs/dbraw/zinc/20/44/24/710204424.db2.gz XWMSZOBMVAXQEC-HIFRSBDPSA-N 1 0 304.350 1.679 20 5 DDBDRO Cc1ccc(CNC(=O)NCC2=CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000892067703 710364919 /nfs/dbraw/zinc/36/49/19/710364919.db2.gz YYOYDJZBXGUZGT-UHFFFAOYSA-N 1 0 304.350 1.622 20 5 DDBDRO Cc1ccc(CNC(=O)N[C@H]2C[NH2+]CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000892077008 710367067 /nfs/dbraw/zinc/36/70/67/710367067.db2.gz DAZUMXQEFQDRMV-GWCFXTLKSA-N 1 0 306.366 1.700 20 5 DDBDRO C[C@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000893026412 710543769 /nfs/dbraw/zinc/54/37/69/710543769.db2.gz MXNALHLYDRBDCL-QWHCGFSZSA-N 1 0 323.397 1.513 20 5 DDBDRO Cc1n[nH]c(C(=O)N2C[C@@]3(C)C[NH+](C)C[C@]3(C)C2)c1[N+](=O)[O-] ZINC000913289234 713192418 /nfs/dbraw/zinc/19/24/18/713192418.db2.gz KJYHKQKYNAOAOR-ZIAGYGMSSA-N 1 0 307.354 1.040 20 5 DDBDRO CC[NH+]1CCC(NC(=O)COc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000902308339 710709106 /nfs/dbraw/zinc/70/91/06/710709106.db2.gz DGQFVJIAFHDEGX-UHFFFAOYSA-N 1 0 321.377 1.883 20 5 DDBDRO C[C@@H]1CN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])C[C@@H](C)[NH2+]1 ZINC000911795723 710995082 /nfs/dbraw/zinc/99/50/82/710995082.db2.gz KULZLMIWAYVOGC-GHMZBOCLSA-N 1 0 309.341 1.875 20 5 DDBDRO COc1ccc(C[NH2+][C@@H]2CCO[C@@]23CCOC3)cc1[N+](=O)[O-] ZINC000903083669 711027013 /nfs/dbraw/zinc/02/70/13/711027013.db2.gz LLNXLEMFCPJCBS-HUUCEWRRSA-N 1 0 308.334 1.641 20 5 DDBDRO COC(=O)[C@@H]1[C@H](C[NH2+]CCc2ccccc2[N+](=O)[O-])C1(F)F ZINC000894299707 711057988 /nfs/dbraw/zinc/05/79/88/711057988.db2.gz PXAFRCKLHVQKOH-JQWIXIFHSA-N 1 0 314.288 1.781 20 5 DDBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CC[N@@H+]1C ZINC000928560790 713227342 /nfs/dbraw/zinc/22/73/42/713227342.db2.gz VLOUWVGMLIPRFL-UKRRQHHQSA-N 1 0 305.378 1.984 20 5 DDBDRO COC(=O)[C@@H]1[C@H](C[NH2+]CCc2cccc([N+](=O)[O-])c2)C1(F)F ZINC000894365621 711089452 /nfs/dbraw/zinc/08/94/52/711089452.db2.gz DZVMKRYZHQGARA-RYUDHWBXSA-N 1 0 314.288 1.781 20 5 DDBDRO O=C(NCCNc1ccccc1[N+](=O)[O-])[C@]12C[C@H]1CCC[NH2+]2 ZINC000912112926 711177977 /nfs/dbraw/zinc/17/79/77/711177977.db2.gz ILMJCKXTUNTTQG-ABAIWWIYSA-N 1 0 304.350 1.265 20 5 DDBDRO CC(C)Oc1nc(N2CC[C@](O)(C[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000895010654 711366294 /nfs/dbraw/zinc/36/62/94/711366294.db2.gz UOWOLCFZFUEHBL-HNNXBMFYSA-N 1 0 324.381 1.280 20 5 DDBDRO C[C@H](Nc1ncc([N+](=O)[O-])cc1Cl)[C@H]1C[N@H+](C)CCN1C ZINC000895248478 711465235 /nfs/dbraw/zinc/46/52/35/711465235.db2.gz LYUYYPNWFLNRFB-JOYOIKCWSA-N 1 0 313.789 1.689 20 5 DDBDRO CC1=NO[C@H](C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000895300898 711479192 /nfs/dbraw/zinc/47/91/92/711479192.db2.gz WZXJLVUJBWYKIV-AWEZNQCLSA-N 1 0 319.365 1.713 20 5 DDBDRO C[N@@H+]1CC[C@@H]1CNc1cc(CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000895771331 711602133 /nfs/dbraw/zinc/60/21/33/711602133.db2.gz YHOLMYRLUUFVMP-CQSZACIVSA-N 1 0 320.393 1.543 20 5 DDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC12CC[NH+](CC1)C2 ZINC000913629853 713272526 /nfs/dbraw/zinc/27/25/26/713272526.db2.gz PGGSAOGENALWQB-UHFFFAOYSA-N 1 0 309.753 1.755 20 5 DDBDRO COC[C@@H]1C[NH2+]CCN1C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000904370643 711848120 /nfs/dbraw/zinc/84/81/20/711848120.db2.gz CKLDQLCRRUFQBO-LBPRGKRZSA-N 1 0 322.365 1.664 20 5 DDBDRO O=[N+]([O-])CC[NH2+][C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000905095799 711935021 /nfs/dbraw/zinc/93/50/21/711935021.db2.gz GFGRXRCYLZXBIY-LLVKDONJSA-N 1 0 314.183 1.894 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H]1COC2(CCC2)C1 ZINC000905450668 712041034 /nfs/dbraw/zinc/04/10/34/712041034.db2.gz IETJWYGEYOGFSV-CHWSQXEVSA-N 1 0 322.361 1.636 20 5 DDBDRO C[N@@H+]1CCC[C@H]1Cn1nc(-c2ccc([N+](=O)[O-])cc2)oc1=O ZINC000917357464 713494698 /nfs/dbraw/zinc/49/46/98/713494698.db2.gz UNAVSQRCYGLLOI-LBPRGKRZSA-N 1 0 304.306 1.506 20 5 DDBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H]1C[C@H]2COC[C@H]2O1 ZINC000930441074 713836015 /nfs/dbraw/zinc/83/60/15/713836015.db2.gz QXWKVHMGTLHOKI-OFQRWUPVSA-N 1 0 306.362 1.873 20 5 DDBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@]2(CCN(CC[N+](=O)[O-])C2)O1 ZINC000931704876 714165666 /nfs/dbraw/zinc/16/56/66/714165666.db2.gz RZYPANHCMONAFE-RDJZCZTQSA-N 1 0 319.405 1.629 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000932237211 714289360 /nfs/dbraw/zinc/28/93/60/714289360.db2.gz BBTAABMMGAHBMH-CYBMUJFWSA-N 1 0 321.381 1.187 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000923359612 714327279 /nfs/dbraw/zinc/32/72/79/714327279.db2.gz SZFDNPSZHFTCGR-MGPQQGTHSA-N 1 0 321.377 1.018 20 5 DDBDRO CC1(C)CC[NH2+]CCN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000923416189 714348885 /nfs/dbraw/zinc/34/88/85/714348885.db2.gz UHAWMXRHEURWJW-AWEZNQCLSA-N 1 0 323.393 1.408 20 5 DDBDRO [NH3+]CC[C@H]1Cc2ccccc2N(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000923545068 714396114 /nfs/dbraw/zinc/39/61/14/714396114.db2.gz UMMLNGJVRFMRKE-ZDUSSCGKSA-N 1 0 315.377 1.819 20 5 DDBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1C(=O)N[C@H](C[NH+](C)C)C1=O ZINC000924474619 714590325 /nfs/dbraw/zinc/59/03/25/714590325.db2.gz MMJQGVYNEAVGDW-BXKDBHETSA-N 1 0 306.322 1.138 20 5 DDBDRO COc1ccc(C[N@@H+]2C[C@@H]3CCC[C@]3(C(N)=O)C2)cc1[N+](=O)[O-] ZINC000933760589 714666288 /nfs/dbraw/zinc/66/62/88/714666288.db2.gz VMAGLGXEBCTPKY-LRDDRELGSA-N 1 0 319.361 1.691 20 5 DDBDRO Cc1cccc(C)c1C[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000933765891 714667652 /nfs/dbraw/zinc/66/76/52/714667652.db2.gz BWDCRHQBAVHXQV-HNNXBMFYSA-N 1 0 318.377 1.901 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000934192862 714764232 /nfs/dbraw/zinc/76/42/32/714764232.db2.gz CUSONVGADMSGSS-VXGBXAGGSA-N 1 0 309.370 1.089 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000934192861 714764415 /nfs/dbraw/zinc/76/44/15/714764415.db2.gz CUSONVGADMSGSS-RYUDHWBXSA-N 1 0 309.370 1.089 20 5 DDBDRO Cc1ccc(CN2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)cc1[N+](=O)[O-] ZINC000934271498 714782390 /nfs/dbraw/zinc/78/23/90/714782390.db2.gz HFENQDOAEIMLST-HOTGVXAUSA-N 1 0 319.405 1.934 20 5 DDBDRO O=[N+]([O-])c1cc(CN[C@@H]2C[NH2+]CCOC2)cc(C(F)(F)F)c1 ZINC000925661565 714909650 /nfs/dbraw/zinc/90/96/50/714909650.db2.gz WMPNUZJLRCTPRI-LLVKDONJSA-N 1 0 319.283 1.692 20 5 DDBDRO COC(=O)c1cnc(N[C@@H]2CC[C@H]3C[N@H+](C)C[C@H]32)c([N+](=O)[O-])c1 ZINC001121008533 782293337 /nfs/dbraw/zinc/29/33/37/782293337.db2.gz FMVLKIVBSXDQOJ-MVWJERBFSA-N 1 0 320.349 1.529 20 5 DDBDRO CCCC[N@H+](C)CC1CCN(c2nnc(C[N+](=O)[O-])n2C)CC1 ZINC001121299908 782448414 /nfs/dbraw/zinc/44/84/14/782448414.db2.gz QZKGHHHDFPORGL-UHFFFAOYSA-N 1 0 324.429 1.540 20 5 DDBDRO CCn1ccnc1C(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001126414940 739969516 /nfs/dbraw/zinc/96/95/16/739969516.db2.gz WAENUZUUSPUDGJ-UHFFFAOYSA-N 1 0 317.349 1.331 20 5 DDBDRO Cc1cnccc1C(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001126788238 742155888 /nfs/dbraw/zinc/15/58/88/742155888.db2.gz WLTPNGDLGLSNQU-UHFFFAOYSA-N 1 0 314.345 1.818 20 5 DDBDRO O=C(NC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1)C(F)F ZINC001002208480 742941758 /nfs/dbraw/zinc/94/17/58/742941758.db2.gz ZVDRMPCBGQLFQP-UHFFFAOYSA-N 1 0 313.304 1.941 20 5 DDBDRO CC[N@H+](C)[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2OC)C1 ZINC001181838908 743361247 /nfs/dbraw/zinc/36/12/47/743361247.db2.gz IDGHKMDVQAPZES-LLVKDONJSA-N 1 0 307.350 1.770 20 5 DDBDRO O=C(NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)C1(C(F)F)CC1 ZINC001127216550 744496610 /nfs/dbraw/zinc/49/66/10/744496610.db2.gz AMBPNMYXQVOXCD-UHFFFAOYSA-N 1 0 313.304 1.846 20 5 DDBDRO C[C@H]([C@H](C)O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001194723992 746449886 /nfs/dbraw/zinc/44/98/86/746449886.db2.gz PKXDHVRPLYZCIT-NEPJUHHUSA-N 1 0 307.350 1.122 20 5 DDBDRO C[C@@H]([NH2+]Cc1cc(=O)n2nccc2[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC001197647894 747223150 /nfs/dbraw/zinc/22/31/50/747223150.db2.gz WGNYVFFODDGMEZ-SNVBAGLBSA-N 1 0 313.317 1.782 20 5 DDBDRO CCc1ccccc1C[NH+]1CC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001031661524 747337728 /nfs/dbraw/zinc/33/77/28/747337728.db2.gz AGVCXQSRPYOZCF-HZPDHXFCSA-N 1 0 317.389 1.462 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2CCOCC23CCCC3)c1 ZINC001198755499 747600079 /nfs/dbraw/zinc/60/00/79/747600079.db2.gz ZSFFWUBOAANLSY-ZIAGYGMSSA-N 1 0 324.381 1.091 20 5 DDBDRO COc1cc([N+](=O)[O-])c(-n2cc3c(n2)CC[C@H]([NH3+])C3)cc1F ZINC001168819295 762069566 /nfs/dbraw/zinc/06/95/66/762069566.db2.gz DGKODVQYVPWLCD-VIFPVBQESA-N 1 0 306.297 1.744 20 5 DDBDRO O=C(NCC1=CCN(Cc2ccns2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001000674518 762078867 /nfs/dbraw/zinc/07/88/67/762078867.db2.gz PMYBKNCQHWKTFB-CHWSQXEVSA-N 1 0 322.390 1.057 20 5 DDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC2(CC[N@H+](CCCF)C2)CC1 ZINC001035186921 751287861 /nfs/dbraw/zinc/28/78/61/751287861.db2.gz LLSONHSYENPOCY-CHWSQXEVSA-N 1 0 313.373 1.326 20 5 DDBDRO [NH3+]CCc1cnn(-c2nc3cc([N+](=O)[O-])ccc3nc2Cl)c1 ZINC001168947080 762137533 /nfs/dbraw/zinc/13/75/33/762137533.db2.gz QFMMXTWCJUMYGN-UHFFFAOYSA-N 1 0 318.724 1.878 20 5 DDBDRO CCOC(=O)c1cccc(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)n1 ZINC001168979875 762148467 /nfs/dbraw/zinc/14/84/67/762148467.db2.gz BSKSXPPPUDGBBY-RYUDHWBXSA-N 1 0 307.350 1.793 20 5 DDBDRO CCn1c(=O)ccc2c1CC[C@@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001168960166 762155269 /nfs/dbraw/zinc/15/52/69/762155269.db2.gz DJANCSSMDWLNJU-NWANDNLSSA-N 1 0 319.405 1.761 20 5 DDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+][C@H]2CCN(Cc3ccncc3)C2)C1 ZINC001168994594 762167613 /nfs/dbraw/zinc/16/76/13/762167613.db2.gz QFZPQKMJZTTXDC-JYJNAYRXSA-N 1 0 304.394 1.691 20 5 DDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+][C@H]2CCN(Cc3cccnc3)C2)C1 ZINC001168994130 762167778 /nfs/dbraw/zinc/16/77/78/762167778.db2.gz PLLKRPKYRKVVMH-IMJJTQAJSA-N 1 0 304.394 1.691 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2-n2cnnn2)C1 ZINC001168989844 762182335 /nfs/dbraw/zinc/18/23/35/762182335.db2.gz XAOBDNJLXRTTES-YPMHNXCESA-N 1 0 302.338 1.197 20 5 DDBDRO Cc1cc(N2CC[NH+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)nc(C)n1 ZINC001169027851 762184415 /nfs/dbraw/zinc/18/44/15/762184415.db2.gz RDYVFLNCCWAYPI-CABCVRRESA-N 1 0 319.409 1.661 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H](N(c2ncccn2)[C@@H]2CCC[NH2+]C2)C1 ZINC001169033883 762189721 /nfs/dbraw/zinc/18/97/21/762189721.db2.gz DOIYYWFANOCHEZ-MGPQQGTHSA-N 1 0 305.382 1.480 20 5 DDBDRO O=C(NC1CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1)N1CCCC1 ZINC001169042086 762195582 /nfs/dbraw/zinc/19/55/82/762195582.db2.gz CUDDIDYOIABSQZ-UKRRQHHQSA-N 1 0 324.425 1.702 20 5 DDBDRO CCc1cc(=NOCC[NH3+])nc(-c2ccc([N+](=O)[O-])cc2)[nH]1 ZINC001156292765 762344770 /nfs/dbraw/zinc/34/47/70/762344770.db2.gz BIFSPEAIWQPFST-UHFFFAOYSA-N 1 0 303.322 1.338 20 5 DDBDRO COc1ccc(N2CCCc3ccc(C[NH3+])nc32)nc1[N+](=O)[O-] ZINC001169584335 762544527 /nfs/dbraw/zinc/54/45/27/762544527.db2.gz OFWLRWVDPAWRCO-UHFFFAOYSA-N 1 0 315.333 1.936 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(-n2cc(CC[NH3+])c3ncccc32)n1 ZINC001169700447 762609629 /nfs/dbraw/zinc/60/96/29/762609629.db2.gz OFVWUGPOMIMDSX-UHFFFAOYSA-N 1 0 313.317 1.839 20 5 DDBDRO COc1ccnc(-n2cc(CC[NH3+])c3ncccc32)c1[N+](=O)[O-] ZINC001169702953 762610405 /nfs/dbraw/zinc/61/04/05/762610405.db2.gz OCXGBZKDFWNBTG-UHFFFAOYSA-N 1 0 313.317 1.839 20 5 DDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC2(C1)CC[NH+](CC1CC1)CC2 ZINC001040701306 762653715 /nfs/dbraw/zinc/65/37/15/762653715.db2.gz YFVYRAJVBKCFEP-ZIAGYGMSSA-N 1 0 307.394 1.376 20 5 DDBDRO Cc1cc(Cl)nc(N2CCOC[C@H]2C[NH+](C)C)c1[N+](=O)[O-] ZINC001154968601 759859284 /nfs/dbraw/zinc/85/92/84/759859284.db2.gz OEGPOFIOWCYNHW-SNVBAGLBSA-N 1 0 314.773 1.718 20 5 DDBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001020139137 760612958 /nfs/dbraw/zinc/61/29/58/760612958.db2.gz SDKHKEOOCHFBPS-AAVRWANBSA-N 1 0 323.780 1.742 20 5 DDBDRO C[C@H](Nc1ccc([N+](=O)[O-])c2cnccc12)[C@H]1C[NH2+]CCO1 ZINC001170566135 768167175 /nfs/dbraw/zinc/16/71/75/768167175.db2.gz DRSKMFUZQWPUNG-ZUZCIYMTSA-N 1 0 302.334 1.932 20 5 DDBDRO Cc1ccc2c(ccnc2NC[C@@H]2COCC[NH2+]2)c1[N+](=O)[O-] ZINC001170034379 764250280 /nfs/dbraw/zinc/25/02/80/764250280.db2.gz CIRXZPOSUVWIJS-LLVKDONJSA-N 1 0 302.334 1.852 20 5 DDBDRO [NH3+]Cc1cnn(-c2cc([N+](=O)[O-])cc3c(Cl)ncnc32)c1 ZINC001157478456 765322331 /nfs/dbraw/zinc/32/23/31/765322331.db2.gz UZOBLMZMWNHOTC-UHFFFAOYSA-N 1 0 304.697 1.836 20 5 DDBDRO Cc1nc(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])cs1 ZINC001132823114 769227508 /nfs/dbraw/zinc/22/75/08/769227508.db2.gz YRPOBYNOWACXPS-UHFFFAOYSA-N 1 0 320.374 1.879 20 5 DDBDRO C[C@@H](CNC(=O)c1cnc(N)c([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC001136316153 771935688 /nfs/dbraw/zinc/93/56/88/771935688.db2.gz SOFMMPHFZXSIOO-JTQLQIEISA-N 1 0 307.354 1.034 20 5 DDBDRO CC[N@H+](C)C(C)(C)C(=O)NCCNc1ccc([N+](=O)[O-])c(C)n1 ZINC001093952615 775259820 /nfs/dbraw/zinc/25/98/20/775259820.db2.gz IGYQKLWWCABVGU-UHFFFAOYSA-N 1 0 323.397 1.557 20 5 DDBDRO O=C1CC[N@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCN1 ZINC001172908780 776917896 /nfs/dbraw/zinc/91/78/96/776917896.db2.gz ODVSUGWTODDAJM-AWEZNQCLSA-N 1 0 303.362 1.664 20 5 DDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC001173227587 777062485 /nfs/dbraw/zinc/06/24/85/777062485.db2.gz RCKIUXRDKGIMCO-RHSMWYFYSA-N 1 0 319.405 1.932 20 5 DDBDRO CC(C)c1ccc(C[NH2+]CCN2CCNC2=S)cc1[N+](=O)[O-] ZINC001204126830 777299824 /nfs/dbraw/zinc/29/98/24/777299824.db2.gz BCQPGLRGANRXTP-UHFFFAOYSA-N 1 0 322.434 1.998 20 5 DDBDRO Cc1nc(NCCN(C)C(=O)C[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC001101633387 777330367 /nfs/dbraw/zinc/33/03/67/777330367.db2.gz OQEVPEIXQWVGEQ-UHFFFAOYSA-N 1 0 321.381 1.264 20 5 DDBDRO CCC1(CC)CNC(=O)[C@H]1[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001176451403 778152769 /nfs/dbraw/zinc/15/27/69/778152769.db2.gz BVNORIWTKUKFOB-ZIAGYGMSSA-N 1 0 321.377 1.523 20 5 DDBDRO COCCn1cc(C[NH2+]CCc2cccc([N+](=O)[O-])c2)cn1 ZINC001178386609 779012875 /nfs/dbraw/zinc/01/28/75/779012875.db2.gz HLXLOKJTYAWGBJ-UHFFFAOYSA-N 1 0 304.350 1.770 20 5 DDBDRO O=C(CNc1ccccc1[N+](=O)[O-])NC[C@@H]1C[NH+]2CCC1CC2 ZINC001179893224 779519789 /nfs/dbraw/zinc/51/97/89/779519789.db2.gz FJNMRMFTLRGHIP-CYBMUJFWSA-N 1 0 318.377 1.465 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC001119948627 781693409 /nfs/dbraw/zinc/69/34/09/781693409.db2.gz QELVHAFMNDOANR-YPMHNXCESA-N 1 0 305.382 1.781 20 5 DDBDRO CN(CC[N@H+](C)CCO)c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC001120058673 781742115 /nfs/dbraw/zinc/74/21/15/781742115.db2.gz XVHSSIHSYLJBGU-UHFFFAOYSA-N 1 0 319.308 1.557 20 5 DDBDRO CCN(CC[NH2+]Cc1ccc(OC)cc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001268450221 840211664 /nfs/dbraw/zinc/21/16/64/840211664.db2.gz STNMRCKRNDWVQY-HUUCEWRRSA-N 1 0 321.377 1.299 20 5 DDBDRO Cn1cccc1C(=O)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001154712217 861386444 /nfs/dbraw/zinc/38/64/44/861386444.db2.gz MJWOYLJCFNCFNE-UHFFFAOYSA-N 1 0 316.361 1.843 20 5 DDBDRO O=[N+]([O-])c1cnc(Cl)nc1-n1cncc1C1CC[NH2+]CC1 ZINC001155053699 861682906 /nfs/dbraw/zinc/68/29/06/861682906.db2.gz PMEGDUFQEJDZKJ-UHFFFAOYSA-N 1 0 308.729 1.691 20 5 DDBDRO COC(=O)c1nc(Cl)nc(-n2cccc2C[NH3+])c1[N+](=O)[O-] ZINC001156723867 863297052 /nfs/dbraw/zinc/29/70/52/863297052.db2.gz LHOAFIUOUDECBU-UHFFFAOYSA-N 1 0 311.685 1.074 20 5 DDBDRO O=[N+]([O-])c1cc(Cl)cnc1NCC[C@@H]1CCOC12C[NH2+]C2 ZINC001155472125 862127762 /nfs/dbraw/zinc/12/77/62/862127762.db2.gz YJDITWJMGVYYQD-SECBINFHSA-N 1 0 312.757 1.824 20 5 DDBDRO Cc1cc(Cl)c([N+](=O)[O-])c(-n2c(C)ncc(C[NH3+])c2=N)n1 ZINC001156829479 863374330 /nfs/dbraw/zinc/37/43/30/863374330.db2.gz MZQGDBXGYNRCGD-UHFFFAOYSA-N 1 0 308.729 1.384 20 5 DDBDRO O=[N+]([O-])c1cccc2nc(N[C@@H]3C[NH2+][C@@H]4COC[C@H]34)ccc21 ZINC001155506075 862172663 /nfs/dbraw/zinc/17/26/63/862172663.db2.gz QDLOXPRGWNDMMH-RAIGVLPGSA-N 1 0 300.318 1.542 20 5 DDBDRO O=[N+]([O-])c1cc(Cl)cnc1NC[C@H]1OC[C@H]2C[NH2+]CC[C@H]21 ZINC001155515075 862179000 /nfs/dbraw/zinc/17/90/00/862179000.db2.gz RJUCAKKJRMYNSH-HLUHBDAQSA-N 1 0 312.757 1.680 20 5 DDBDRO O=C1C[C@H]2[NH2+]CC[C@@]2(Nc2ccc3cccc([N+](=O)[O-])c3n2)N1 ZINC001155568976 862236661 /nfs/dbraw/zinc/23/66/61/862236661.db2.gz DAOYUGLYPJADRH-IAQYHMDHSA-N 1 0 313.317 1.133 20 5 DDBDRO CCOCCC[NH2+]C1(C)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001274333454 852166859 /nfs/dbraw/zinc/16/68/59/852166859.db2.gz UBJRULSEOSCROA-CHWSQXEVSA-N 1 0 313.398 1.049 20 5 DDBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N(c2ncccn2)C2C[NH2+]C2)n1 ZINC001155870156 862524945 /nfs/dbraw/zinc/52/49/45/862524945.db2.gz SCLXRXVNPFUAGM-UHFFFAOYSA-N 1 0 321.728 1.247 20 5 DDBDRO Cc1nccn1CC(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001151147726 862650184 /nfs/dbraw/zinc/65/01/84/862650184.db2.gz UVBWUMJHJIIUET-UHFFFAOYSA-N 1 0 317.349 1.006 20 5 DDBDRO COc1ncnc(N2CC[NH2+]C[C@@H]2c2cccs2)c1[N+](=O)[O-] ZINC001156097265 862719661 /nfs/dbraw/zinc/71/96/61/862719661.db2.gz GMPIUEVLFMPPSR-SECBINFHSA-N 1 0 321.362 1.606 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001122305284 858744715 /nfs/dbraw/zinc/74/47/15/858744715.db2.gz XEQIPJNEKXMYJJ-JFUSQASVSA-N 1 0 309.297 1.122 20 5 DDBDRO COc1cc(C(=O)N2CC[C@@H]3CC[C@]32C[NH3+])cc([N+](=O)[O-])c1C ZINC001122321911 858751868 /nfs/dbraw/zinc/75/18/68/858751868.db2.gz ZMICCXLTDXESSX-LRDDRELGSA-N 1 0 319.361 1.865 20 5 DDBDRO [NH3+]C1(CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC001122348977 858769898 /nfs/dbraw/zinc/76/98/98/858769898.db2.gz NDWFRTXXHOMLLK-UHFFFAOYSA-N 1 0 314.139 1.578 20 5 DDBDRO C[N@@H+]1CCC[C@H]1CO[C@H](C[N+](=O)[O-])c1ccc2c(c1)OCO2 ZINC001224829519 881549554 /nfs/dbraw/zinc/54/95/54/881549554.db2.gz JXUROGUQHXMQFO-SWLSCSKDSA-N 1 0 308.334 1.844 20 5 DDBDRO C[C@H]1C[C@@H](NC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)CC[NH2+]1 ZINC001328727991 863177211 /nfs/dbraw/zinc/17/72/11/863177211.db2.gz IHGHXDMFRKPPPX-GWCFXTLKSA-N 1 0 304.350 1.761 20 5 DDBDRO CCOC(=O)c1ccnc(N(C)[C@]2(C)CCC[NH2+]C2)c1[N+](=O)[O-] ZINC001156978053 863491750 /nfs/dbraw/zinc/49/17/50/863491750.db2.gz XUPVERRMPOLFTJ-OAHLLOKOSA-N 1 0 322.365 1.745 20 5 DDBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N2C[C@H]3[C@H](C2)CCC[N@H+]3C)n1 ZINC001157260242 863688027 /nfs/dbraw/zinc/68/80/27/863688027.db2.gz INIQPVVXJDNMCV-UWVGGRQHSA-N 1 0 311.773 1.877 20 5 DDBDRO O=C(NCCC[NH2+]CC1CCC2(CC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157775283 864131179 /nfs/dbraw/zinc/13/11/79/864131179.db2.gz NMRRKXURQOQWOD-ZIAGYGMSSA-N 1 0 309.410 1.718 20 5 DDBDRO O=C(NCCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1ccccn1 ZINC001154132584 864435055 /nfs/dbraw/zinc/43/50/55/864435055.db2.gz KSYUNMZQUXGRSD-UHFFFAOYSA-N 1 0 320.374 1.961 20 5 DDBDRO COc1cccnc1CNc1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001158330089 864582284 /nfs/dbraw/zinc/58/22/84/864582284.db2.gz FACFGPAOWIRFPJ-UHFFFAOYSA-N 1 0 316.321 1.087 20 5 DDBDRO Nc1cccc(C[NH+]2CCN(c3cccc([N+](=O)[O-])n3)CC2)c1 ZINC001158479066 864678856 /nfs/dbraw/zinc/67/88/56/864678856.db2.gz SJKAOMZRKLEJLD-UHFFFAOYSA-N 1 0 313.361 1.894 20 5 DDBDRO CCN(C(=O)COc1ccc([N+](=O)[O-])c(OC)c1)[C@H]1CC[NH2+]C1 ZINC001330999748 864764523 /nfs/dbraw/zinc/76/45/23/864764523.db2.gz JUQQKNSVDKJCHD-NSHDSACASA-N 1 0 323.349 1.193 20 5 DDBDRO [NH3+][C@]12CCC[C@H]1CN(C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C2 ZINC001331049751 864804464 /nfs/dbraw/zinc/80/44/64/864804464.db2.gz GFNJQFYWJAZRMS-HROVJIIKSA-N 1 0 301.346 1.948 20 5 DDBDRO COC(=O)c1cnc(NC(C)(C)CC[NH+](C)C)c([N+](=O)[O-])c1 ZINC001158757476 864883862 /nfs/dbraw/zinc/88/38/62/864883862.db2.gz OOOSKYUEEQNLLF-UHFFFAOYSA-N 1 0 310.354 1.919 20 5 DDBDRO [NH3+]Cc1ccc2nnn(-c3nc(Cl)ncc3[N+](=O)[O-])c2c1 ZINC001159025996 865052701 /nfs/dbraw/zinc/05/27/01/865052701.db2.gz CWVOJYBYHLWLEL-UHFFFAOYSA-N 1 0 305.685 1.231 20 5 DDBDRO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccc(N)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC001159884672 865580709 /nfs/dbraw/zinc/58/07/09/865580709.db2.gz JVHDOLJHPXIQHN-LOWVWBTDSA-N 1 0 304.350 1.247 20 5 DDBDRO Nc1cc(CCCCNC(=O)c2ccc([N+](=O)[O-])o2)cc[nH+]1 ZINC001160239053 865740502 /nfs/dbraw/zinc/74/05/02/865740502.db2.gz MFKHONKFODDWLU-UHFFFAOYSA-N 1 0 304.306 1.918 20 5 DDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC001332401692 865814915 /nfs/dbraw/zinc/81/49/15/865814915.db2.gz KHYRDRSRDPNIIW-LSDHHAIUSA-N 1 0 318.377 1.945 20 5 DDBDRO [NH3+]C[C@]1(Nc2cc(Cl)ncc2[N+](=O)[O-])CN2CCC1CC2 ZINC001160511546 865895774 /nfs/dbraw/zinc/89/57/74/865895774.db2.gz OOBLVBCHZAUPRX-ZDUSSCGKSA-N 1 0 311.773 1.478 20 5 DDBDRO Cc1c(C)c(N[C@]2(C[NH3+])CN3CCC2CC3)ncc1[N+](=O)[O-] ZINC001160514182 865900257 /nfs/dbraw/zinc/90/02/57/865900257.db2.gz UQGBYJBQJNVRGJ-OAHLLOKOSA-N 1 0 305.382 1.442 20 5 DDBDRO COc1nc(C)c([N+](=O)[O-])c(-n2c(C[NH3+])cc3ccncc32)n1 ZINC001160960313 866223971 /nfs/dbraw/zinc/22/39/71/866223971.db2.gz ZKOFACJOEQKKBU-UHFFFAOYSA-N 1 0 314.305 1.499 20 5 DDBDRO C[C@@H](C(=O)NCC[NH+]1CC=CC1)c1ccc([N+](=O)[O-])cc1F ZINC001320107708 866477256 /nfs/dbraw/zinc/47/72/56/866477256.db2.gz HQWVAIRUBSHSPC-LLVKDONJSA-N 1 0 307.325 1.825 20 5 DDBDRO O=C(NCc1ccc(Br)cc1[N+](=O)[O-])[C@H]1CC[NH2+]1 ZINC001333256605 866565116 /nfs/dbraw/zinc/56/51/16/866565116.db2.gz FYXSFDYMDFHWBA-SECBINFHSA-N 1 0 314.139 1.335 20 5 DDBDRO COCC(=O)NCC1=CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001333269662 866577184 /nfs/dbraw/zinc/57/71/84/866577184.db2.gz XIXZQXUSPCJTSA-UHFFFAOYSA-N 1 0 319.361 1.490 20 5 DDBDRO Cn1cncc1C(=O)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001161913273 867093397 /nfs/dbraw/zinc/09/33/97/867093397.db2.gz GFWYIVRBZBEMMA-UHFFFAOYSA-N 1 0 317.349 1.238 20 5 DDBDRO [NH3+]Cc1cn(-c2cnc(Oc3ccc([N+](=O)[O-])cc3)nc2)cn1 ZINC001162302030 867427563 /nfs/dbraw/zinc/42/75/63/867427563.db2.gz IIZCKYZLTYALRH-UHFFFAOYSA-N 1 0 312.289 1.822 20 5 DDBDRO COc1nc(C)nc(NC[C@@H]2CCC[NH2+]C[C@@H]2C)c1[N+](=O)[O-] ZINC001162456864 867548445 /nfs/dbraw/zinc/54/84/45/867548445.db2.gz ZLADNJACCMHLJX-ONGXEEELSA-N 1 0 309.370 1.749 20 5 DDBDRO O=[N+]([O-])c1c(Cl)ncnc1NC[C@]1(F)CCCC[NH2+]C1 ZINC001162572225 867650683 /nfs/dbraw/zinc/65/06/83/867650683.db2.gz BSLNMNYUMBSOLK-NSHDSACASA-N 1 0 303.725 1.932 20 5 DDBDRO COc1nc(NC[C@]2(F)CCCC[NH2+]C2)nc(C)c1[N+](=O)[O-] ZINC001162579005 867658500 /nfs/dbraw/zinc/65/85/00/867658500.db2.gz CJYFEKSHQJRITI-ZDUSSCGKSA-N 1 0 313.333 1.596 20 5 DDBDRO COC(=O)[C@@H](Nc1cnc(Cl)cc1[N+](=O)[O-])C(C)(C)[NH3+] ZINC001162941802 867929965 /nfs/dbraw/zinc/92/99/65/867929965.db2.gz BBKVIBQPDDHQJK-SECBINFHSA-N 1 0 302.718 1.334 20 5 DDBDRO O=[N+]([O-])c1cc2c(nc1N[C@@H]1COCCC13C[NH2+]C3)CCCC2 ZINC001163074500 868058904 /nfs/dbraw/zinc/05/89/04/868058904.db2.gz TVYTUMSCQZDHOX-CQSZACIVSA-N 1 0 318.377 1.659 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)c(F)cnc2N[C@@H]1C[NH2+][C@@H]2COC[C@H]12 ZINC001163140948 868152440 /nfs/dbraw/zinc/15/24/40/868152440.db2.gz RUBZSYDUMGTHNU-MRVWCRGKSA-N 1 0 318.308 1.681 20 5 DDBDRO O=[N+]([O-])c1cc2c(cc1F)ncnc2NC[C@@]12C[NH2+][C@@H](CO1)C2 ZINC001163193273 868202174 /nfs/dbraw/zinc/20/21/74/868202174.db2.gz PAJCGERQHRUFSP-XLKFXECMSA-N 1 0 319.296 1.220 20 5 DDBDRO COc1cc([N+](=O)[O-])cnc1NC[C@@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001163269133 868285896 /nfs/dbraw/zinc/28/58/96/868285896.db2.gz WOOTZIFTYBIKPV-ABAIWWIYSA-N 1 0 322.365 1.569 20 5 DDBDRO CNc1cc([N+](=O)[O-])cnc1NC[C@@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001163275793 868297069 /nfs/dbraw/zinc/29/70/69/868297069.db2.gz APYGANCREJGSKJ-ABAIWWIYSA-N 1 0 321.381 1.602 20 5 DDBDRO CC(C)(C)[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001335459772 868313553 /nfs/dbraw/zinc/31/35/53/868313553.db2.gz WQSBFAWOBQDTSH-MCIONIFRSA-N 1 0 310.398 1.957 20 5 DDBDRO COc1cccc([C@H](C[NH3+])Nc2nc(C)ncc2[N+](=O)[O-])c1 ZINC001163307141 868331362 /nfs/dbraw/zinc/33/13/62/868331362.db2.gz WLRVXWMUOFUUPB-LBPRGKRZSA-N 1 0 303.322 1.814 20 5 DDBDRO CCOC(=O)CC1([NH3+])CCN(c2ccc([N+](=O)[O-])c(C)n2)CC1 ZINC001163527733 868509086 /nfs/dbraw/zinc/50/90/86/868509086.db2.gz HHQUTEBFKTYLML-UHFFFAOYSA-N 1 0 322.365 1.549 20 5 DDBDRO CC[N@@H+]1CCCN(c2nc(NC(C)=O)nc(C)c2[N+](=O)[O-])CC1 ZINC001163773675 868693628 /nfs/dbraw/zinc/69/36/28/868693628.db2.gz WXXBBORFVDWYTK-UHFFFAOYSA-N 1 0 322.369 1.184 20 5 DDBDRO CC(=O)N1CCc2cc(-n3nc(C[NH3+])cc3C)cc([N+](=O)[O-])c21 ZINC001163985957 868847756 /nfs/dbraw/zinc/84/77/56/868847756.db2.gz LMIWQYODHPLXNY-UHFFFAOYSA-N 1 0 315.333 1.457 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1NC[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC001336726808 869112470 /nfs/dbraw/zinc/11/24/70/869112470.db2.gz RLUACINHYBILRW-STQMWFEESA-N 1 0 323.397 1.631 20 5 DDBDRO CN(C)/C=C/c1cc(-n2ncc3c2CC[NH2+]C3)ncc1[N+](=O)[O-] ZINC001165220330 869444105 /nfs/dbraw/zinc/44/41/05/869444105.db2.gz LEMYFJSNMJSCTA-GQCTYLIASA-N 1 0 314.349 1.354 20 5 DDBDRO COc1ncnc(N2CCCCC23CC[NH2+]CC3)c1[N+](=O)[O-] ZINC001165335989 869525233 /nfs/dbraw/zinc/52/52/33/869525233.db2.gz ZURVSEPKVFJQIY-UHFFFAOYSA-N 1 0 307.354 1.506 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(N[C@@H](C)[C@@H]2C[N@H+](C)CCN2C)c1 ZINC001337678390 869591960 /nfs/dbraw/zinc/59/19/60/869591960.db2.gz HTXRCCITBIOMGR-NHYWBVRUSA-N 1 0 308.382 1.650 20 5 DDBDRO COc1cc(C)nc(N2C[C@H](CF)[C@@H](C3([NH3+])CC3)C2)c1[N+](=O)[O-] ZINC001165431340 869595004 /nfs/dbraw/zinc/59/50/04/869595004.db2.gz POMMKDKRKKLHDU-QWRGUYRKSA-N 1 0 324.356 1.820 20 5 DDBDRO COC(=O)[C@@H]1C[NH2+]CCN1c1ccc2ccc([N+](=O)[O-])cc2n1 ZINC001165435583 869600055 /nfs/dbraw/zinc/60/00/55/869600055.db2.gz DFIQSSAWXXWGHU-ZDUSSCGKSA-N 1 0 316.317 1.094 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(O[C@@H]2C[C@@H]3CC(=O)C[C@H]2N3C)c1 ZINC001226443543 882434634 /nfs/dbraw/zinc/43/46/34/882434634.db2.gz XWBRNLVRLWEXJB-CUOATXAZSA-N 1 0 306.318 1.786 20 5 DDBDRO CC(C)(C[NH+]1CCOCC1)C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC001298875423 870763638 /nfs/dbraw/zinc/76/36/38/870763638.db2.gz IXQLDHMSLFHUEI-UHFFFAOYSA-N 1 0 322.365 1.474 20 5 DDBDRO C[N@@H+]1CCCC[C@H]1CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC001339923681 870787556 /nfs/dbraw/zinc/78/75/56/870787556.db2.gz WHIIBYKAXPFHKS-AWEZNQCLSA-N 1 0 306.366 1.878 20 5 DDBDRO O=C([C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC001340180050 870942057 /nfs/dbraw/zinc/94/20/57/870942057.db2.gz ALARZOOYBQFUQS-ARLBYUKCSA-N 1 0 315.373 1.909 20 5 DDBDRO O=C([C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001340750074 871329792 /nfs/dbraw/zinc/32/97/92/871329792.db2.gz CQUHVITWOYEMDT-NEBZKDRISA-N 1 0 301.346 1.661 20 5 DDBDRO COC[C@](C)([NH3+])CNc1c2cc(Cl)ccc2ncc1[N+](=O)[O-] ZINC001306969824 871387022 /nfs/dbraw/zinc/38/70/22/871387022.db2.gz WBMDAWITNBQWEO-CQSZACIVSA-N 1 0 324.768 1.994 20 5 DDBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001340927940 871429868 /nfs/dbraw/zinc/42/98/68/871429868.db2.gz DSNFQIMCTVAPRL-SPWCGHHHSA-N 1 0 321.352 1.857 20 5 DDBDRO O=c1[nH]c2ccc(C[NH2+]CCn3cc([N+](=O)[O-])cn3)cc2[nH]1 ZINC001308316909 871490244 /nfs/dbraw/zinc/49/02/44/871490244.db2.gz UKOBCJJIOZXBBF-UHFFFAOYSA-N 1 0 302.294 1.163 20 5 DDBDRO COCC1(C(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)CC[NH2+]CC1 ZINC001341110853 871508839 /nfs/dbraw/zinc/50/88/39/871508839.db2.gz ZHPRTUNDXMQYPU-GFCCVEGCSA-N 1 0 321.377 1.788 20 5 DDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])[C@@H]1[NH2+]CC12CCOCC2 ZINC001341405372 871642767 /nfs/dbraw/zinc/64/27/67/871642767.db2.gz VOKISEYVYJBAGY-AWEZNQCLSA-N 1 0 319.361 1.022 20 5 DDBDRO [NH3+]C[C@]12CC[C@H]1CCN2C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC001341483096 871679140 /nfs/dbraw/zinc/67/91/40/871679140.db2.gz MIZDKTKZKKOYRR-ZUZCIYMTSA-N 1 0 323.324 1.453 20 5 DDBDRO CC[NH+](CC)C1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC001318620328 872173398 /nfs/dbraw/zinc/17/33/98/872173398.db2.gz BPEMORPMJYVJKJ-UHFFFAOYSA-N 1 0 309.370 1.124 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N(C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001342792868 872389742 /nfs/dbraw/zinc/38/97/42/872389742.db2.gz XRLKPTBUJAGDFA-MSRIBSCDSA-N 1 0 305.334 1.283 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC[NH2+]CC2)c1 ZINC001342858611 872414599 /nfs/dbraw/zinc/41/45/99/872414599.db2.gz OGKAHIKKESBNFL-NSHDSACASA-N 1 0 307.350 1.723 20 5 DDBDRO COCC[C@@H]1C[NH2+]CCN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC001342994685 872462340 /nfs/dbraw/zinc/46/23/40/872462340.db2.gz MUBJIDPQVPNKTC-OAHLLOKOSA-N 1 0 321.377 1.364 20 5 DDBDRO CCN(C(=O)COc1ccc([N+](=O)[O-])cc1)C1CC[NH2+]CC1 ZINC001346450479 873758418 /nfs/dbraw/zinc/75/84/18/873758418.db2.gz FLZUSCPFHBZNQT-UHFFFAOYSA-N 1 0 307.350 1.574 20 5 DDBDRO CN(C)[C@@H](C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001346621114 873827413 /nfs/dbraw/zinc/82/74/13/873827413.db2.gz RUIWHAYHGCROCU-HOCLYGCPSA-N 1 0 323.393 1.264 20 5 DDBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ncc([N+](=O)[O-])cc1[N+](=O)[O-])C2 ZINC001227109369 882839658 /nfs/dbraw/zinc/83/96/58/882839658.db2.gz XZLKVQHOLCZVLD-JZYVYDRUSA-N 1 0 308.294 1.902 20 5 DDBDRO C[NH2+][C@@H](C)CCNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001348562277 874635009 /nfs/dbraw/zinc/63/50/09/874635009.db2.gz OIRYUWGYTHKTIT-NSHDSACASA-N 1 0 306.366 1.661 20 5 DDBDRO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC[N@@H+]1C1CCCC1 ZINC001350603641 875781302 /nfs/dbraw/zinc/78/13/02/875781302.db2.gz WIPJIKGJGNQGND-JTQLQIEISA-N 1 0 307.354 1.407 20 5 DDBDRO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccc([N+](=O)[O-])cc3F)[C@H]2C1 ZINC001350914987 875955728 /nfs/dbraw/zinc/95/57/28/875955728.db2.gz GAVKBMRVNSFFIJ-WFBYXXMGSA-N 1 0 307.325 1.804 20 5 DDBDRO C[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC[N@@H+]1C1CCCC1 ZINC001352968657 877045697 /nfs/dbraw/zinc/04/56/97/877045697.db2.gz HFRPTWUTKJDQIE-GFCCVEGCSA-N 1 0 321.381 1.267 20 5 DDBDRO C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC001353375390 877286131 /nfs/dbraw/zinc/28/61/31/877286131.db2.gz DSNNRDXFQSTBEX-XHJNMGKDSA-N 1 0 306.362 1.969 20 5 DDBDRO Nc1ccc2n(C(=O)[C@H]3[NH2+]CC[C@H]3O)c3ccccc3cc-2c1=O ZINC001219256708 878065800 /nfs/dbraw/zinc/06/58/00/878065800.db2.gz WVHZPNOPQGCSIK-CVEARBPZSA-N 1 0 323.352 1.052 20 5 DDBDRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@@H](C)[N+](=O)[O-])n2C)C1 ZINC001355414030 878545021 /nfs/dbraw/zinc/54/50/21/878545021.db2.gz ASNDSVMJQKZSSC-NEPJUHHUSA-N 1 0 310.402 1.321 20 5 DDBDRO COC(=O)c1c(COC2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC001223293387 880909245 /nfs/dbraw/zinc/90/92/45/880909245.db2.gz NPKCEMNARZGVCX-UHFFFAOYSA-N 1 0 308.334 1.992 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)OCc1cccc2nsnc21 ZINC001223378693 880939138 /nfs/dbraw/zinc/93/91/38/880939138.db2.gz CYWDUHVLUZGILK-LLVKDONJSA-N 1 0 310.399 1.192 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])ccc1CO[C@H]1C[NH+]2CCC1CC2 ZINC001223448971 880967382 /nfs/dbraw/zinc/96/73/82/880967382.db2.gz UUSJFPHCQYUSHU-HNNXBMFYSA-N 1 0 320.345 1.992 20 5 DDBDRO COc1ccc(CO[C@H]2C[C@@H]3CC(=O)C[C@H]2[N@@H+]3C)c([N+](=O)[O-])c1 ZINC001223513748 880988346 /nfs/dbraw/zinc/98/83/46/880988346.db2.gz HBGHPJSKMYYGID-XZJROXQQSA-N 1 0 320.345 1.924 20 5 DDBDRO COc1ccc(CO[C@H]2C[C@@H]3CC(=O)C[C@H]2[N@@H+]3C)cc1[N+](=O)[O-] ZINC001223649797 881043037 /nfs/dbraw/zinc/04/30/37/881043037.db2.gz VJYUWYOHJWGHIP-GHJWDPDVSA-N 1 0 320.345 1.924 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1nccc2cc(Cl)ncc21 ZINC001227856270 883204798 /nfs/dbraw/zinc/20/47/98/883204798.db2.gz AJCQFXNCPVATFJ-LLVKDONJSA-N 1 0 324.788 1.646 20 5 DDBDRO COC(=O)c1cccc(O[C@@H](C)C[N+](C)(C)C)c1C(=O)OC ZINC001229595246 884064309 /nfs/dbraw/zinc/06/43/09/884064309.db2.gz GLHIHLIENOOWGY-NSHDSACASA-N 1 0 310.370 1.733 20 5 DDBDRO Cc1ccc2sc(OC(=O)C[C@@H](O)C[N+](C)(C)C)nc2c1 ZINC001230343956 884437374 /nfs/dbraw/zinc/43/73/74/884437374.db2.gz ZSZHTGOYDUEKCO-LLVKDONJSA-N 1 0 309.411 1.967 20 5 DDBDRO OC[C@@H]1CC[N@H+](Cc2ccc3ccc4cccnc4c3n2)C[C@H]1O ZINC001232219309 886166458 /nfs/dbraw/zinc/16/64/58/886166458.db2.gz SOTSTVUVIYSOPA-DOTOQJQBSA-N 1 0 323.396 1.958 20 5 DDBDRO COC(=O)c1cc2ccncc2nc1O[C@@H](C)C[N+](C)(C)C ZINC001233879287 887421665 /nfs/dbraw/zinc/42/16/65/887421665.db2.gz BNEMIFQIXXGDAM-NSHDSACASA-N 1 0 304.370 1.890 20 5 DDBDRO COCCCC(=O)NCCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001234398730 887934752 /nfs/dbraw/zinc/93/47/52/887934752.db2.gz UZPFOQCQVXHROG-UHFFFAOYSA-N 1 0 323.393 1.960 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC(N[C@@H]3C[NH2+]CC34CC4)CC2)cc1 ZINC001246132840 892426919 /nfs/dbraw/zinc/42/69/19/892426919.db2.gz MNLZPOYISFYGIS-MRXNPFEDSA-N 1 0 316.405 1.905 20 5 DDBDRO COc1ccc(C[C@H](C)N[C@H]2C[NH2+]CC23CC3)c([N+](=O)[O-])c1 ZINC001246136301 892432536 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ZINC000588863062 354944066 /nfs/dbraw/zinc/94/40/66/354944066.db2.gz OOFINFKFHLTVEX-UONOGXRCSA-N 1 0 319.361 1.184 20 5 DDBDRO Cc1ccc(C(=O)N2CC[C@@H]([N@@H+]3CC[C@@H](O)C3)C2)cc1[N+](=O)[O-] ZINC000588864065 354944468 /nfs/dbraw/zinc/94/44/68/354944468.db2.gz ZWTFBWLLUHNZFK-ZIAGYGMSSA-N 1 0 319.361 1.184 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)CC2(O)CCC2)c1 ZINC000589510511 354997658 /nfs/dbraw/zinc/99/76/58/354997658.db2.gz WFLJPPMXHNDTIX-UHFFFAOYSA-N 1 0 308.334 1.728 20 5 DDBDRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000590044699 355043415 /nfs/dbraw/zinc/04/34/15/355043415.db2.gz MFTWICXGYRRWNP-FZMZJTMJSA-N 1 0 314.345 1.852 20 5 DDBDRO C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000590561798 355114741 /nfs/dbraw/zinc/11/47/41/355114741.db2.gz GVVWGHBUWDPENZ-MNOVXSKESA-N 1 0 309.322 1.123 20 5 DDBDRO CCCc1n[nH]c(C(=O)N2CC[C@H]([NH+](C)C)[C@@H]2C)c1[N+](=O)[O-] ZINC000590403329 355085771 /nfs/dbraw/zinc/08/57/71/355085771.db2.gz KSBNHEGZLQRNQW-ONGXEEELSA-N 1 0 309.370 1.435 20 5 DDBDRO C[N@@H+]1C[C@H]2CCN(C(=O)COc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000590443374 355097589 /nfs/dbraw/zinc/09/75/89/355097589.db2.gz IMZHFRHEEDPNJG-RISCZKNCSA-N 1 0 305.334 1.136 20 5 DDBDRO C[C@@H]1C[N@H+](CCO)CCN1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000590765854 355172808 /nfs/dbraw/zinc/17/28/08/355172808.db2.gz ZMZRSMBLDAYZQJ-CQSZACIVSA-N 1 0 323.393 1.362 20 5 DDBDRO C[N@@H+]1C[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000591083759 355244912 /nfs/dbraw/zinc/24/49/12/355244912.db2.gz DPLHDZOLGYCNDL-BVUBDWEXSA-N 1 0 315.373 1.861 20 5 DDBDRO Cc1ccc(NC(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000591270355 355274507 /nfs/dbraw/zinc/27/45/07/355274507.db2.gz YQTONNWPYROUPH-ZWNOBZJWSA-N 1 0 308.338 1.483 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000591270574 355274548 /nfs/dbraw/zinc/27/45/48/355274548.db2.gz QWAFSZWIEZYHEI-MFKMUULPSA-N 1 0 320.349 1.819 20 5 DDBDRO [NH3+][C@H]1CCC[C@H](CNC(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000591347923 355294467 /nfs/dbraw/zinc/29/44/67/355294467.db2.gz DZOBNLJTKUEGLP-AAEUAGOBSA-N 1 0 306.366 1.912 20 5 DDBDRO COC(=O)c1cc(C)nc(N2CC[C@@H]3CC[NH2+][C@@H]3C2)c1[N+](=O)[O-] ZINC000591437266 355310721 /nfs/dbraw/zinc/31/07/21/355310721.db2.gz FTCQCVQNZKYJAU-CMPLNLGQSA-N 1 0 320.349 1.273 20 5 DDBDRO O=C(CN1CC[C@H]2CC[NH2+][C@@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000591447845 355313532 /nfs/dbraw/zinc/31/35/32/355313532.db2.gz ANDMASCOSHGAEZ-DGCLKSJQSA-N 1 0 304.350 1.217 20 5 DDBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCC[NH2+]C1CC1 ZINC000591577222 355329624 /nfs/dbraw/zinc/32/96/24/355329624.db2.gz CPJSDIDIILUTIN-LLVKDONJSA-N 1 0 306.366 1.654 20 5 DDBDRO COc1ccc(CC(=O)N[C@@H](C[NH3+])C(C)(C)C)cc1[N+](=O)[O-] ZINC000591585129 355330869 /nfs/dbraw/zinc/33/08/69/355330869.db2.gz FLYVUIJVXKIYLC-ZDUSSCGKSA-N 1 0 309.366 1.636 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](C)[C@H]1C[NH3+] ZINC000591676531 355360039 /nfs/dbraw/zinc/36/00/39/355360039.db2.gz VJIRUBREKGFBGL-GXFFZTMASA-N 1 0 307.350 1.803 20 5 DDBDRO C[C@]1(C[NH3+])CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000591684822 355361999 /nfs/dbraw/zinc/36/19/99/355361999.db2.gz HTPQSVTYRCNFFI-MRXNPFEDSA-N 1 0 314.345 1.954 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCCC[C@@H]2C2CCC2)c1 ZINC000592198753 355534232 /nfs/dbraw/zinc/53/42/32/355534232.db2.gz RUQZTPIGHVQUAO-LSDHHAIUSA-N 1 0 308.382 1.807 20 5 DDBDRO CC[C@@H]1CN(C(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000592331878 355561213 /nfs/dbraw/zinc/56/12/13/355561213.db2.gz BHRRRGRLYRFQTM-OLZOCXBDSA-N 1 0 321.377 1.732 20 5 DDBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000592215194 355541434 /nfs/dbraw/zinc/54/14/34/355541434.db2.gz ZEUPPGHNSULBCB-WDEREUQCSA-N 1 0 310.354 1.399 20 5 DDBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000592215191 355541621 /nfs/dbraw/zinc/54/16/21/355541621.db2.gz ZEUPPGHNSULBCB-GHMZBOCLSA-N 1 0 310.354 1.399 20 5 DDBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000592334652 355561791 /nfs/dbraw/zinc/56/17/91/355561791.db2.gz CWYUHSICYZPWCE-RYUDHWBXSA-N 1 0 309.341 1.984 20 5 DDBDRO CC(C)c1ccc(C(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000592310847 355557014 /nfs/dbraw/zinc/55/70/14/355557014.db2.gz YXSVXVKEHAHVNX-NHYWBVRUSA-N 1 0 321.377 1.906 20 5 DDBDRO COc1ccc(NC(=O)CN2CCC(C)([NH3+])CC2)c([N+](=O)[O-])c1 ZINC000592484586 355595288 /nfs/dbraw/zinc/59/52/88/355595288.db2.gz FRRGACVHYPHXFT-UHFFFAOYSA-N 1 0 322.365 1.355 20 5 DDBDRO CC1(OCC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C[NH2+]C1 ZINC000592530428 355616584 /nfs/dbraw/zinc/61/65/84/355616584.db2.gz XBAOEBIEERIOEE-UHFFFAOYSA-N 1 0 321.377 1.412 20 5 DDBDRO CCCc1n[nH]c(C(=O)N[C@H]2CC[NH2+]C3(CCC3)C2)c1[N+](=O)[O-] ZINC000592567962 355632073 /nfs/dbraw/zinc/63/20/73/355632073.db2.gz GVOORJIUFLCFOR-JTQLQIEISA-N 1 0 321.381 1.675 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@H]2CCOC[C@H]2C)c1 ZINC000593027064 355773653 /nfs/dbraw/zinc/77/36/53/355773653.db2.gz JTVRXGGLSDGBCD-MFKMUULPSA-N 1 0 308.334 1.896 20 5 DDBDRO C[NH+](C)CC1(NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])CCC1 ZINC000593147549 355811445 /nfs/dbraw/zinc/81/14/45/355811445.db2.gz OKEHRMJQCXKCGT-UHFFFAOYSA-N 1 0 309.341 1.877 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1[C@H](C)C[N@H+](C)[C@H](C)[C@@H]1C ZINC000593188848 355821317 /nfs/dbraw/zinc/82/13/17/355821317.db2.gz RPHPUJJZCQSUDQ-MXWKQRLJSA-N 1 0 309.370 1.039 20 5 DDBDRO O=C(Cc1ccc(F)cc1[N+](=O)[O-])N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000593420861 355880180 /nfs/dbraw/zinc/88/01/80/355880180.db2.gz IJLAUQFQUWZODC-GFCCVEGCSA-N 1 0 307.325 1.629 20 5 DDBDRO COc1cc(C[NH2+]CCC2(CO)CCC2)c([N+](=O)[O-])cc1O ZINC000593692690 355968479 /nfs/dbraw/zinc/96/84/79/355968479.db2.gz DJEPTJCQIFCYLF-UHFFFAOYSA-N 1 0 310.350 1.951 20 5 DDBDRO C[C@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2N)[C@H]1CC[NH3+] ZINC000593915640 356057832 /nfs/dbraw/zinc/05/78/32/356057832.db2.gz JIGWUWUBOCQWSG-JQWIXIFHSA-N 1 0 306.366 1.767 20 5 DDBDRO C[C@@H]1CCCN(C(=O)COc2cccc([N+](=O)[O-])c2)[C@@H]1CC[NH3+] ZINC000593917895 356059602 /nfs/dbraw/zinc/05/96/02/356059602.db2.gz ZQCIDJLHBQZFNW-IUODEOHRSA-N 1 0 321.377 1.950 20 5 DDBDRO COc1ccc(CNC(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)cc1[N+](=O)[O-] ZINC000594431972 356210873 /nfs/dbraw/zinc/21/08/73/356210873.db2.gz UHIJWFXFAPKDOU-BLLLJJGKSA-N 1 0 319.361 1.609 20 5 DDBDRO CCOc1ccc(C(=O)N[C@@H](C[NH3+])C(F)(F)F)cc1[N+](=O)[O-] ZINC000594451244 356221516 /nfs/dbraw/zinc/22/15/16/356221516.db2.gz GJRLCFPUSDJAGP-JTQLQIEISA-N 1 0 321.255 1.613 20 5 DDBDRO [NH3+][C@@H](c1cn(-c2ccc(O)cc2[N+](=O)[O-])nn1)[C@H]1CCCO1 ZINC000594651971 356275653 /nfs/dbraw/zinc/27/56/53/356275653.db2.gz GYXWVKJXKJFJKB-OLZOCXBDSA-N 1 0 305.294 1.060 20 5 DDBDRO O=C1C[C@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CN1C1CC1 ZINC000594500368 356238082 /nfs/dbraw/zinc/23/80/82/356238082.db2.gz RSXYFIHHIBNKHZ-HZMBPMFUSA-N 1 0 301.346 1.935 20 5 DDBDRO COc1cccc([N+](=O)[O-])c1N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000594548817 356247590 /nfs/dbraw/zinc/24/75/90/356247590.db2.gz HOMGAARDYQLDQT-JSGCOSHPSA-N 1 0 321.377 1.639 20 5 DDBDRO CC(C)[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000594731222 356299928 /nfs/dbraw/zinc/29/99/28/356299928.db2.gz GUAJIIITSFZYDI-GFCCVEGCSA-N 1 0 319.365 1.554 20 5 DDBDRO C[N@@H+]1CC[C@H]2CCN(c3nc4sccn4c3[N+](=O)[O-])[C@@H]2C1 ZINC000272209567 283153635 /nfs/dbraw/zinc/15/36/35/283153635.db2.gz PXRNYWMHVZGYGQ-VHSXEESVSA-N 1 0 307.379 1.834 20 5 DDBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@]1(OCCO)CCOC1 ZINC000594974926 356366896 /nfs/dbraw/zinc/36/68/96/356366896.db2.gz NZRTYSRVEOZURZ-OICCZTGUSA-N 1 0 322.361 1.366 20 5 DDBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@]1(OCCO)CCOC1 ZINC000595072218 356378363 /nfs/dbraw/zinc/37/83/63/356378363.db2.gz QSSVQFHMZUQXEW-GOEBONIOSA-N 1 0 322.361 1.340 20 5 DDBDRO [NH3+]CC12CC(C1)CN2C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000595264261 356425281 /nfs/dbraw/zinc/42/52/81/356425281.db2.gz PZUPLHNIQAXVOG-UHFFFAOYSA-N 1 0 304.350 1.270 20 5 DDBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)NCC12CC(C1)C[NH2+]2 ZINC000595264865 356426056 /nfs/dbraw/zinc/42/60/56/356426056.db2.gz SULHPDJOFCKGPT-UHFFFAOYSA-N 1 0 304.350 1.189 20 5 DDBDRO O=[N+]([O-])c1cc(F)ccc1CN1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000595336781 356453931 /nfs/dbraw/zinc/45/39/31/356453931.db2.gz RKOFXPJXAQZBEW-CYBMUJFWSA-N 1 0 323.368 1.888 20 5 DDBDRO C[NH2+][C@H]1CCN(S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)C1 ZINC000601338011 358505543 /nfs/dbraw/zinc/50/55/43/358505543.db2.gz GXVCSALZTKCPKA-VIFPVBQESA-N 1 0 317.342 1.025 20 5 DDBDRO C[N@@H+]1CC[C@]2(CCN(c3cccc(C(N)=O)c3[N+](=O)[O-])C2)C1 ZINC000488767895 283171049 /nfs/dbraw/zinc/17/10/49/283171049.db2.gz LJRPKPDSVWXJPK-HNNXBMFYSA-N 1 0 304.350 1.226 20 5 DDBDRO C[N@@H+]1CC[C@@]2(C1)CCCN(CCn1cc([N+](=O)[O-])ccc1=O)C2 ZINC000595505800 356522415 /nfs/dbraw/zinc/52/24/15/356522415.db2.gz YNVNPIZHEWIAQG-MRXNPFEDSA-N 1 0 320.393 1.174 20 5 DDBDRO COCC1([NH2+]CCOc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000595498968 356519899 /nfs/dbraw/zinc/51/98/99/356519899.db2.gz IWQBPRPHPCQFDA-UHFFFAOYSA-N 1 0 310.350 1.759 20 5 DDBDRO CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+]Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595634945 356586369 /nfs/dbraw/zinc/58/63/69/356586369.db2.gz RSQOEEMGDIEQOQ-QJPTWQEYSA-N 1 0 313.354 1.547 20 5 DDBDRO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C[C@H]1COCCO1 ZINC000595738561 356629519 /nfs/dbraw/zinc/62/95/19/356629519.db2.gz WFNGPFLJBBPIAX-AWEZNQCLSA-N 1 0 323.349 1.271 20 5 DDBDRO NC(=O)c1ccc(C[NH2+][C@H]2C[C@H](O)C23CCC3)c([N+](=O)[O-])c1 ZINC000595780607 356650026 /nfs/dbraw/zinc/65/00/26/356650026.db2.gz IDDDQMSIYFKQLD-STQMWFEESA-N 1 0 305.334 1.087 20 5 DDBDRO C[NH+](C)CCC[C@@H]1CN(Cc2cc([O-])ccc2[N+](=O)[O-])CCO1 ZINC000595907155 356700939 /nfs/dbraw/zinc/70/09/39/356700939.db2.gz REDHPRKNCMTZAX-OAHLLOKOSA-N 1 0 323.393 1.843 20 5 DDBDRO COc1ccc(C(=O)NCC[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000237139868 202163530 /nfs/dbraw/zinc/16/35/30/202163530.db2.gz KMPREUYVRLMBDC-LLVKDONJSA-N 1 0 307.350 1.723 20 5 DDBDRO COc1cc(OCC(=O)NCC2([NH3+])CCCC2)ccc1[N+](=O)[O-] ZINC000595942778 356715979 /nfs/dbraw/zinc/71/59/79/356715979.db2.gz YRRCHRGBEJJUEG-UHFFFAOYSA-N 1 0 323.349 1.370 20 5 DDBDRO CN(C[C@@H]1CCC[N@H+](C)C1)c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596129859 356784859 /nfs/dbraw/zinc/78/48/59/356784859.db2.gz RRRMSCGRJLLWHR-LLVKDONJSA-N 1 0 306.366 1.472 20 5 DDBDRO C[C@@H]1C[C@H](N(C)c2ccc([N+](=O)[O-])c(C(N)=O)c2)CC[N@@H+]1C ZINC000596137027 356787603 /nfs/dbraw/zinc/78/76/03/356787603.db2.gz OCOUWMXJLSARGC-ZYHUDNBSSA-N 1 0 306.366 1.613 20 5 DDBDRO Cc1nn(C)c(N2CCO[C@@H](CCC[NH+](C)C)C2)c1[N+](=O)[O-] ZINC000596565744 356918558 /nfs/dbraw/zinc/91/85/58/356918558.db2.gz FGGJPQJUVVUAFF-LBPRGKRZSA-N 1 0 311.386 1.184 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1CN(CC[NH+](C)C)CC(=O)N(C)C ZINC000597207472 357092896 /nfs/dbraw/zinc/09/28/96/357092896.db2.gz YMXRTIYELSTQLP-UHFFFAOYSA-N 1 0 322.409 1.355 20 5 DDBDRO C[C@@]12COC[C@H]1C[N@H+](Cc1cc3c(cc1[N+](=O)[O-])OCCO3)C2 ZINC000597209902 357094468 /nfs/dbraw/zinc/09/44/68/357094468.db2.gz FJOFLBIOCGYQFG-MLGOLLRUSA-N 1 0 320.345 1.834 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)NCC23CCC[NH+]2CCC3)c1[N+](=O)[O-] ZINC000597587115 357239979 /nfs/dbraw/zinc/23/99/79/357239979.db2.gz QMTCLRUPAIKARD-UHFFFAOYSA-N 1 0 321.381 1.800 20 5 DDBDRO C[NH+](C)C1(C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000597547286 357220823 /nfs/dbraw/zinc/22/08/23/357220823.db2.gz BYCSIDNPTGGLKD-UHFFFAOYSA-N 1 0 305.334 1.279 20 5 DDBDRO COc1cc(C(=O)N2CCC3(C[NH+](C)C3)C2)ccc1[N+](=O)[O-] ZINC000597572337 357233176 /nfs/dbraw/zinc/23/31/76/357233176.db2.gz QNUKECMAGMMQIF-UHFFFAOYSA-N 1 0 305.334 1.381 20 5 DDBDRO C[NH+](C)CC1CN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000597709447 357296331 /nfs/dbraw/zinc/29/63/31/357296331.db2.gz VOZQRWPTMOUFLM-UHFFFAOYSA-N 1 0 302.334 1.710 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@]3(CC[N@H+](C)C3)C2)n1 ZINC000597710892 357297012 /nfs/dbraw/zinc/29/70/12/357297012.db2.gz PWZLBWNIGXGYAN-HNNXBMFYSA-N 1 0 321.381 1.369 20 5 DDBDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000597858783 357361093 /nfs/dbraw/zinc/36/10/93/357361093.db2.gz OZTGKSTVTHGQOB-CYBMUJFWSA-N 1 0 321.377 1.963 20 5 DDBDRO CCN(C(=O)CCNc1ccccc1[N+](=O)[O-])[C@H]1CC[N@H+](C)C1 ZINC000597945618 357393880 /nfs/dbraw/zinc/39/38/80/357393880.db2.gz JXKBXNZHCYLSJP-ZDUSSCGKSA-N 1 0 320.393 1.949 20 5 DDBDRO CCCc1n[nH]c(C(=O)N[C@H]2CC[N@@H+](CCC)C2)c1[N+](=O)[O-] ZINC000598341876 357544288 /nfs/dbraw/zinc/54/42/88/357544288.db2.gz HOLNBPDFYTWOGA-JTQLQIEISA-N 1 0 309.370 1.485 20 5 DDBDRO CCC[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000598341801 357544654 /nfs/dbraw/zinc/54/46/54/357544654.db2.gz GJZBTRQTHPUKIN-LBPRGKRZSA-N 1 0 307.350 1.818 20 5 DDBDRO CCC[N@@H+]1CC[C@H](NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000598343142 357545834 /nfs/dbraw/zinc/54/58/34/357545834.db2.gz RHPZVGRGYKPJOM-JTQLQIEISA-N 1 0 317.349 1.685 20 5 DDBDRO CC[C@@H]1CN(C(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)C[C@H](C)[NH2+]1 ZINC000598532438 357623532 /nfs/dbraw/zinc/62/35/32/357623532.db2.gz YMRWXBTWRGDLEV-WCQYABFASA-N 1 0 321.377 1.745 20 5 DDBDRO C[C@@H]1CC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1CO ZINC000598643499 357666459 /nfs/dbraw/zinc/66/64/59/357666459.db2.gz LMUYIPKAVOKOKM-UMVBOHGHSA-N 1 0 324.377 1.285 20 5 DDBDRO Cc1nn(C)c(C(=O)NC(C)(C)CCC[NH+](C)C)c1[N+](=O)[O-] ZINC000598739524 357710756 /nfs/dbraw/zinc/71/07/56/357710756.db2.gz ZJQGTSJKEAKCFA-UHFFFAOYSA-N 1 0 311.386 1.487 20 5 DDBDRO CC1(c2ccccc2)C[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000598706724 357698107 /nfs/dbraw/zinc/69/81/07/357698107.db2.gz URWHPXMTEZRYSA-OAHLLOKOSA-N 1 0 316.361 1.426 20 5 DDBDRO Cc1ccc(S(=O)(=O)N2CC[C@H]([NH3+])[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000598714691 357700747 /nfs/dbraw/zinc/70/07/47/357700747.db2.gz ILNUZEZGYPVYBK-QWRGUYRKSA-N 1 0 313.379 1.322 20 5 DDBDRO CC(C)Oc1nc(N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)ccc1[N+](=O)[O-] ZINC000599083841 357810419 /nfs/dbraw/zinc/81/04/19/357810419.db2.gz MZMXSUKPULWWFU-YABSGUDNSA-N 1 0 306.366 1.773 20 5 DDBDRO CCN(CC[NH3+])S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000599098120 357815249 /nfs/dbraw/zinc/81/52/49/357815249.db2.gz CLXSLJORKWYYJI-UHFFFAOYSA-N 1 0 301.368 1.181 20 5 DDBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000599108867 357818420 /nfs/dbraw/zinc/81/84/20/357818420.db2.gz YPOYHCXLRJQVII-LBPRGKRZSA-N 1 0 311.363 1.158 20 5 DDBDRO COc1ccc(NC(=O)N[C@H]2CC[C@H](C)[NH2+]C2)cc1[N+](=O)[O-] ZINC000599603043 357989940 /nfs/dbraw/zinc/98/99/40/357989940.db2.gz DDEDVORQHZBGPF-ONGXEEELSA-N 1 0 308.338 1.865 20 5 DDBDRO C[NH2+]CCOCCN(C)C(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000599605685 357990762 /nfs/dbraw/zinc/99/07/62/357990762.db2.gz YTGHWVMTBQGMAC-UHFFFAOYSA-N 1 0 310.354 1.603 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]([N@@H+]3CC[C@@H](O)C3)C2)c1 ZINC000599939518 358086235 /nfs/dbraw/zinc/08/62/35/358086235.db2.gz WCQSNWKSFXQUOO-QWHCGFSZSA-N 1 0 319.361 1.184 20 5 DDBDRO Cc1cc(OCC(=O)N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)ccc1[N+](=O)[O-] ZINC000599991186 358098210 /nfs/dbraw/zinc/09/82/10/358098210.db2.gz CSEWZKCYKNEHFZ-VIKVFOODSA-N 1 0 319.361 1.300 20 5 DDBDRO C[NH2+]C[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C1 ZINC000237310664 202226731 /nfs/dbraw/zinc/22/67/31/202226731.db2.gz YORIYEMWPXGARX-GFCCVEGCSA-N 1 0 320.393 1.732 20 5 DDBDRO C[NH2+]C[C@H](C)C(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-] ZINC000237315552 202227821 /nfs/dbraw/zinc/22/78/21/202227821.db2.gz FKBNDBZCJZFZLU-LBPRGKRZSA-N 1 0 308.382 1.677 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000565536241 304074277 /nfs/dbraw/zinc/07/42/77/304074277.db2.gz ZHMCQXDVINCFCV-IHRRRGAJSA-N 1 0 306.362 1.970 20 5 DDBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]C[C@H]1COCCN1 ZINC000600677561 358280383 /nfs/dbraw/zinc/28/03/83/358280383.db2.gz FPBIFGLHXHQQFA-CWRNSKLLSA-N 1 0 319.405 1.884 20 5 DDBDRO CC1(C)C[C@H]([NH2+]C[C@@H]2COCCN2)c2cc([N+](=O)[O-])ccc21 ZINC000600709980 358290903 /nfs/dbraw/zinc/29/09/03/358290903.db2.gz MOLYBSQQGQYEOI-ABAIWWIYSA-N 1 0 305.378 1.895 20 5 DDBDRO C[C@@H]1[NH2+]CC[C@H]1N[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000600713162 358291496 /nfs/dbraw/zinc/29/14/96/358291496.db2.gz GJSYJEVNDBINDL-NILFDRSVSA-N 1 0 315.377 1.758 20 5 DDBDRO C[C@]12C[NH2+]C[C@@]1(C)CN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C2 ZINC000600744123 358304622 /nfs/dbraw/zinc/30/46/22/358304622.db2.gz AIUYHMHURMLJCB-IYBDPMFKSA-N 1 0 318.377 1.125 20 5 DDBDRO O=[N+]([O-])c1ccc2nccc(NCC[N@H+]3CC[C@H](O)C3)c2c1 ZINC000601204960 358446466 /nfs/dbraw/zinc/44/64/66/358446466.db2.gz VNQLBDYOQDZOTL-LBPRGKRZSA-N 1 0 302.334 1.043 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000601560410 358601094 /nfs/dbraw/zinc/60/10/94/358601094.db2.gz XGXAVAXARWKRDU-CHWSQXEVSA-N 1 0 321.381 1.090 20 5 DDBDRO CC[C@H](C(=O)N[C@](C)(CO)c1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000601775627 358690087 /nfs/dbraw/zinc/69/00/87/358690087.db2.gz GQPHFJGCRNNMSC-UKRRQHHQSA-N 1 0 309.366 1.259 20 5 DDBDRO C[C@@H]1CC[N@H+](CC(=O)N[C@](C)(CO)c2cccc([N+](=O)[O-])c2)C1 ZINC000601776164 358690687 /nfs/dbraw/zinc/69/06/87/358690687.db2.gz HICOPDMTSNUAEB-MLGOLLRUSA-N 1 0 321.377 1.260 20 5 DDBDRO O=[N+]([O-])c1ccn(C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)n1 ZINC000601960889 358754631 /nfs/dbraw/zinc/75/46/31/358754631.db2.gz XIWVXXGUSVBSGZ-HNNXBMFYSA-N 1 0 302.334 1.428 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000601973074 358760174 /nfs/dbraw/zinc/76/01/74/358760174.db2.gz CEUCINSCQXSBPG-IYBDPMFKSA-N 1 0 303.362 1.975 20 5 DDBDRO C[N@@H+]1CCCC[C@H]1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000602099085 358812456 /nfs/dbraw/zinc/81/24/56/358812456.db2.gz WXZCQUDVIWTMOF-AWEZNQCLSA-N 1 0 307.350 1.574 20 5 DDBDRO COc1cc(C(=O)N2C[C@H](C)[C@H]([NH3+])C2)cc([N+](=O)[O-])c1OC ZINC000565596599 304078986 /nfs/dbraw/zinc/07/89/86/304078986.db2.gz ITCJXDKNSSUFJE-WCBMZHEXSA-N 1 0 309.322 1.031 20 5 DDBDRO C[NH+](C)[C@@H]1C[C@@H](NC(=O)Cc2ccccc2[N+](=O)[O-])C1(C)C ZINC000602175437 358865491 /nfs/dbraw/zinc/86/54/91/358865491.db2.gz XVRLUYIJBBHWTL-ZIAGYGMSSA-N 1 0 305.378 1.982 20 5 DDBDRO CCC[C@H](C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1)OC ZINC000602437533 358975943 /nfs/dbraw/zinc/97/59/43/358975943.db2.gz BGSDRJFDTAVOCR-CQSZACIVSA-N 1 0 308.382 1.927 20 5 DDBDRO CC(C)[C@H]1C[NH2+]CCN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000602531638 359030219 /nfs/dbraw/zinc/03/02/19/359030219.db2.gz WARJPWBGXLWDSQ-CQSZACIVSA-N 1 0 307.350 1.430 20 5 DDBDRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000602543604 359036345 /nfs/dbraw/zinc/03/63/45/359036345.db2.gz CXMBXRNCOLCCPC-NWDGAFQWSA-N 1 0 306.366 1.654 20 5 DDBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2COCC[NH2+]2)c1 ZINC000602549055 359039709 /nfs/dbraw/zinc/03/97/09/359039709.db2.gz BKIPVBLRPGFRNI-SECBINFHSA-N 1 0 311.363 1.035 20 5 DDBDRO C[C@H]1CC[C@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])C[NH2+]1 ZINC000602554663 359042477 /nfs/dbraw/zinc/04/24/77/359042477.db2.gz NKXPPSKCVAPMGU-RYUDHWBXSA-N 1 0 307.350 1.620 20 5 DDBDRO O=C(NC[C@@H]1COCC[NH2+]1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000602558095 359045318 /nfs/dbraw/zinc/04/53/18/359045318.db2.gz RBXFEYRHLYHCNR-SNVBAGLBSA-N 1 0 321.358 1.528 20 5 DDBDRO CN(C)C(C)(C)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602506967 359018148 /nfs/dbraw/zinc/01/81/48/359018148.db2.gz ZHIVHAOSPMLAKY-UHFFFAOYSA-N 1 0 321.425 1.888 20 5 DDBDRO O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000602605136 359068637 /nfs/dbraw/zinc/06/86/37/359068637.db2.gz UZVHVRLKYKULSP-HZMBPMFUSA-N 1 0 307.325 1.948 20 5 DDBDRO CC(C)[C@H](CO)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602652780 359102528 /nfs/dbraw/zinc/10/25/28/359102528.db2.gz FZODHQHOJGJETG-ZDUSSCGKSA-N 1 0 322.409 1.813 20 5 DDBDRO COC[C@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)OC ZINC000602596677 359061712 /nfs/dbraw/zinc/06/17/12/359061712.db2.gz MJRDSCUMJBWFLD-AWEZNQCLSA-N 1 0 324.381 1.210 20 5 DDBDRO CC[N@@H+]1CC[C@H](N(C)CCn2c(C)ncc2[N+](=O)[O-])C[C@H]1C ZINC000602775856 359181900 /nfs/dbraw/zinc/18/19/00/359181900.db2.gz CIDNRSDEAMTOPM-OCCSQVGLSA-N 1 0 309.414 1.904 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H](CO)C3CCC3)CC2)cn1 ZINC000602704577 359135865 /nfs/dbraw/zinc/13/58/65/359135865.db2.gz ASEIGXWTBOOPQI-OAHLLOKOSA-N 1 0 320.393 1.709 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC(C)(C)[C@H]1[C@H]1CCCO1 ZINC000602835140 359226267 /nfs/dbraw/zinc/22/62/67/359226267.db2.gz XVKOMGXTCAAMNZ-TZMCWYRMSA-N 1 0 308.382 1.989 20 5 DDBDRO Cn1cc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)c([N+](=O)[O-])n1 ZINC000602837063 359228226 /nfs/dbraw/zinc/22/82/26/359228226.db2.gz SSLCJSSRUCPKKP-MCIONIFRSA-N 1 0 308.382 1.844 20 5 DDBDRO Cc1nccn1CCC[N@@H+](C)CCn1c(C)ncc1[N+](=O)[O-] ZINC000602799411 359200333 /nfs/dbraw/zinc/20/03/33/359200333.db2.gz SMKYECCFPXLSCG-UHFFFAOYSA-N 1 0 306.370 1.627 20 5 DDBDRO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](C[C@H]1CCc3ncnn31)CC2 ZINC000602802390 359202106 /nfs/dbraw/zinc/20/21/06/359202106.db2.gz QRAFTHPQYFBUMD-LLVKDONJSA-N 1 0 300.322 1.127 20 5 DDBDRO CCN(CCC[NH+](C)C)C(=O)Nc1c(C)cncc1[N+](=O)[O-] ZINC000602949779 359315346 /nfs/dbraw/zinc/31/53/46/359315346.db2.gz BSVDJJMQUKZBTG-UHFFFAOYSA-N 1 0 309.370 1.526 20 5 DDBDRO Cn1cc(C[C@H]2CCC[C@@H]2[NH2+]Cc2cn(C)nc2[N+](=O)[O-])cn1 ZINC000602894408 359277989 /nfs/dbraw/zinc/27/79/89/359277989.db2.gz GMXZYSMTSRUUJT-OCCSQVGLSA-N 1 0 318.381 1.563 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@@H]1c1ncccn1 ZINC000602896555 359279423 /nfs/dbraw/zinc/27/94/23/359279423.db2.gz DWIBYZYACDYYEW-CYBMUJFWSA-N 1 0 315.333 1.384 20 5 DDBDRO C[C@@](CO)([NH2+]CCN1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000602963015 359325972 /nfs/dbraw/zinc/32/59/72/359325972.db2.gz ROIRTBUMUCAAPI-INIZCTEOSA-N 1 0 307.394 1.878 20 5 DDBDRO C[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C[C@@H]1C(C)(C)C ZINC000603144066 359433505 /nfs/dbraw/zinc/43/35/05/359433505.db2.gz VQENQIOOQQLVDV-GFCCVEGCSA-N 1 0 322.365 1.498 20 5 DDBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)n1cc(CSCC[NH3+])nn1 ZINC000603186476 359465658 /nfs/dbraw/zinc/46/56/58/359465658.db2.gz RMEOTUOSKAEDMI-JTQLQIEISA-N 1 0 307.379 1.988 20 5 DDBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@H]1CCCS(=O)(=O)C1 ZINC000565726342 304087029 /nfs/dbraw/zinc/08/70/29/304087029.db2.gz RRMSMFCROGRZGY-BXUZGUMPSA-N 1 0 324.402 1.997 20 5 DDBDRO Cc1ccc(NC(=O)c2n[nH]c3c2C[NH2+]CC3)cc1[N+](=O)[O-] ZINC000188190184 200206671 /nfs/dbraw/zinc/20/66/71/200206671.db2.gz RLGQEQMSUICDTC-UHFFFAOYSA-N 1 0 301.306 1.524 20 5 DDBDRO [NH3+]C1CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000237863021 202372504 /nfs/dbraw/zinc/37/25/04/202372504.db2.gz KBPXINNDBLMQIP-UHFFFAOYSA-N 1 0 306.366 1.737 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000609135531 360263789 /nfs/dbraw/zinc/26/37/89/360263789.db2.gz PGJNGHVUWLKWFL-GFCCVEGCSA-N 1 0 306.366 1.901 20 5 DDBDRO COc1ccc(CN2CC[NH+](C(C)(C)CO)CC2)cc1[N+](=O)[O-] ZINC000610481179 360446648 /nfs/dbraw/zinc/44/66/48/360446648.db2.gz NQAACRJYPQLIDU-UHFFFAOYSA-N 1 0 323.393 1.492 20 5 DDBDRO C[C@H](CO)CCC[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611146494 360636898 /nfs/dbraw/zinc/63/68/98/360636898.db2.gz QFTYRKHSWDWUAU-NSHDSACASA-N 1 0 310.350 1.864 20 5 DDBDRO C[N@@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C[C@@H]1CCC[C@H]1O ZINC000611285738 360689718 /nfs/dbraw/zinc/68/97/18/360689718.db2.gz KBFKHTJTMBTQGS-SMDDNHRTSA-N 1 0 322.361 1.959 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C2(CO)CCCCC2)c1 ZINC000611462831 360724472 /nfs/dbraw/zinc/72/44/72/360724472.db2.gz CMNOCZAREDVHEK-CQSZACIVSA-N 1 0 324.377 1.619 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)n1 ZINC000611616294 360776885 /nfs/dbraw/zinc/77/68/85/360776885.db2.gz UVILJOULOFNASV-QWHCGFSZSA-N 1 0 308.382 1.498 20 5 DDBDRO CCC[C@@H]1C[NH2+]CCN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000359041487 299314819 /nfs/dbraw/zinc/31/48/19/299314819.db2.gz JHRAPRAJWOAQRH-GFCCVEGCSA-N 1 0 306.366 1.607 20 5 DDBDRO C[C@@H]([NH3+])[C@@H]1CCCCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000261930196 296023890 /nfs/dbraw/zinc/02/38/90/296023890.db2.gz JIVFGAKWZITOSO-MFKMUULPSA-N 1 0 306.366 1.395 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NC(C)(C)C[NH3+])c1 ZINC000193261971 201015761 /nfs/dbraw/zinc/01/57/61/201015761.db2.gz VVPAIMNTZBWYRK-UHFFFAOYSA-N 1 0 321.786 1.572 20 5 DDBDRO C[C@H]1CC[NH2+]C[C@H]1NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000193409969 201047408 /nfs/dbraw/zinc/04/74/08/201047408.db2.gz QVLMOLKPOYIYQT-GXFFZTMASA-N 1 0 313.379 1.012 20 5 DDBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195215649 201360492 /nfs/dbraw/zinc/36/04/92/201360492.db2.gz SKZCWLCEYCGWLO-UTUOFQBUSA-N 1 0 321.402 1.753 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)NC2CC([NH+]3CCCCC3)C2)n1 ZINC000619451657 364018561 /nfs/dbraw/zinc/01/85/61/364018561.db2.gz WODNZJVFSREOHD-UHFFFAOYSA-N 1 0 321.381 1.558 20 5 DDBDRO C[C@@](O)(CO)C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000619464346 364023941 /nfs/dbraw/zinc/02/39/41/364023941.db2.gz WHINNNMJVRUMQN-LBPRGKRZSA-N 1 0 306.265 1.029 20 5 DDBDRO CC[C@H]1C[N@H+](C)CCCN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000619566964 364063824 /nfs/dbraw/zinc/06/38/24/364063824.db2.gz CVSMLBILXDBGDK-ZDUSSCGKSA-N 1 0 321.377 1.916 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2C[C@@H]2c2cccc(F)c2)c1 ZINC000566109749 304119099 /nfs/dbraw/zinc/11/90/99/304119099.db2.gz UGFDVTAXDMHSFZ-KFWWJZLASA-N 1 0 320.324 1.437 20 5 DDBDRO C[C@@H](CC[NH3+])NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000349955938 284118512 /nfs/dbraw/zinc/11/85/12/284118512.db2.gz AHRCJYJVHPUJMH-ZETCQYMHSA-N 1 0 316.155 1.824 20 5 DDBDRO C[C@@H]1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000261927630 203153597 /nfs/dbraw/zinc/15/35/97/203153597.db2.gz ZOJLNLVZNPHYEI-OLZOCXBDSA-N 1 0 320.393 1.983 20 5 DDBDRO COc1ccc(C(=O)N2CC[C@@H](C)C[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000262460417 203300462 /nfs/dbraw/zinc/30/04/62/203300462.db2.gz IMNJONAADMCNRS-ZYHUDNBSSA-N 1 0 307.350 1.803 20 5 DDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000094341113 193361682 /nfs/dbraw/zinc/36/16/82/193361682.db2.gz YSSVQKKGFVRQNO-MWLCHTKSSA-N 1 0 313.379 1.261 20 5 DDBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CN(C3CC3)CCO2)c(F)c1 ZINC000350284765 284177814 /nfs/dbraw/zinc/17/78/14/284177814.db2.gz BYQJRUIAPIEQIW-CQSZACIVSA-N 1 0 309.341 1.687 20 5 DDBDRO CC[N@H+](C)CCNS(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC000094780177 193396923 /nfs/dbraw/zinc/39/69/23/193396923.db2.gz QQOGYOJETRKXSB-UHFFFAOYSA-N 1 0 319.358 1.272 20 5 DDBDRO CC[NH+](CC)CCCCNC(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000264938481 204285180 /nfs/dbraw/zinc/28/51/80/204285180.db2.gz VDQIGPCIFVOYMA-UHFFFAOYSA-N 1 0 311.386 1.489 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000264971312 204312850 /nfs/dbraw/zinc/31/28/50/204312850.db2.gz AZNWBHWZXMYYBS-UHFFFAOYSA-N 1 0 321.377 1.744 20 5 DDBDRO C[N@@H+](Cc1cccc(Cl)c1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266389346 205312633 /nfs/dbraw/zinc/31/26/33/205312633.db2.gz BXBVAQDGNSRAFR-AWEZNQCLSA-N 1 0 324.768 1.938 20 5 DDBDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H]1CCOC1 ZINC000337230280 249399802 /nfs/dbraw/zinc/39/98/02/249399802.db2.gz VTSRBBVFJCKHIZ-WOPDTQHZSA-N 1 0 307.350 1.936 20 5 DDBDRO CC1CC[NH+](CCCNC(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000044682521 183432507 /nfs/dbraw/zinc/43/25/07/183432507.db2.gz WPPRKXQQCBWBJD-UHFFFAOYSA-N 1 0 309.370 1.030 20 5 DDBDRO CCCN(CC[NH+](CC)CC)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000274095753 211352312 /nfs/dbraw/zinc/35/23/12/211352312.db2.gz VOTXQXRKBDOOMU-UHFFFAOYSA-N 1 0 311.386 1.372 20 5 DDBDRO CO[C@H]1C[C@@H](CN(C)C(=O)c2ccc(C)c([N+](=O)[O-])c2)[N@H+](C)C1 ZINC000284752088 218162931 /nfs/dbraw/zinc/16/29/31/218162931.db2.gz VTBDJKSNMNQMCP-KBPBESRZSA-N 1 0 321.377 1.694 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCO[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000285326949 218382757 /nfs/dbraw/zinc/38/27/57/218382757.db2.gz RWOZACUMANJVNN-LSDHHAIUSA-N 1 0 319.361 1.448 20 5 DDBDRO CC(C)[NH2+]CCCNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000579592207 422797650 /nfs/dbraw/zinc/79/76/50/422797650.db2.gz ISRPHOFRFFRGEH-UHFFFAOYSA-N 1 0 309.366 1.868 20 5 DDBDRO Cc1cc(NC[C@@H](O)[C@H]2CCOC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000340780847 251208457 /nfs/dbraw/zinc/20/84/57/251208457.db2.gz QGBXFZBCISOBRY-MEDUHNTESA-N 1 0 317.345 1.683 20 5 DDBDRO COC(=O)CC[N@@H+]1CCN(c2cc(C)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000340973931 251313461 /nfs/dbraw/zinc/31/34/61/251313461.db2.gz ZCFKCKLXUBRKDI-CYBMUJFWSA-N 1 0 321.377 1.977 20 5 DDBDRO Cc1c(NC(=O)CC[N@H+]2C[C@H](O)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000340982356 251318449 /nfs/dbraw/zinc/31/84/49/251318449.db2.gz YTDXEHQHVMOBQV-CMPLNLGQSA-N 1 0 307.350 1.687 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCC[C@H](C)[NH3+])cc1C ZINC000063170839 184275796 /nfs/dbraw/zinc/27/57/96/184275796.db2.gz OGYXFODOFSKJHL-JTQLQIEISA-N 1 0 301.368 1.227 20 5 DDBDRO C[NH2+][C@@H]1CCN(C(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000417184728 532963298 /nfs/dbraw/zinc/96/32/98/532963298.db2.gz CBWZHTVJKIBYFH-LLVKDONJSA-N 1 0 308.338 1.107 20 5 DDBDRO C[NH2+][C@@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)C1 ZINC000440738113 532971533 /nfs/dbraw/zinc/97/15/33/532971533.db2.gz MQLRGYRKMAEYNH-LLVKDONJSA-N 1 0 313.379 1.194 20 5 DDBDRO C[C@H](NC(=O)COc1cccc([N+](=O)[O-])c1)C1=CC[N@H+](C)CC1 ZINC000272995112 210375769 /nfs/dbraw/zinc/37/57/69/210375769.db2.gz QNZKCRPEPIBKFN-LBPRGKRZSA-N 1 0 319.361 1.740 20 5 DDBDRO C[C@]1([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)CCO[C@@H]1C1CC1 ZINC000273002518 210382434 /nfs/dbraw/zinc/38/24/34/210382434.db2.gz AJMYELNDAGXUFH-CABCVRRESA-N 1 0 307.350 1.304 20 5 DDBDRO COc1cc(C[NH+]2CCC3(CNC(=O)C3)CC2)ccc1[N+](=O)[O-] ZINC000352544829 285130147 /nfs/dbraw/zinc/13/01/47/285130147.db2.gz DAQSXQAXLVWERP-UHFFFAOYSA-N 1 0 319.361 1.706 20 5 DDBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCC[NH2+]C1 ZINC000120293081 195136728 /nfs/dbraw/zinc/13/67/28/195136728.db2.gz GHROHXXUIPVFTA-CYBMUJFWSA-N 1 0 306.366 1.655 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[N@@H+](CCO)[C@H]2CCc3ccccc32)c1 ZINC000266926079 285189244 /nfs/dbraw/zinc/18/92/44/285189244.db2.gz KJMQTILYMGDDQX-INIZCTEOSA-N 1 0 316.361 1.773 20 5 DDBDRO O=[N+]([O-])c1cnn(CCN2CCC[C@@H]2C[NH+]2CCCCC2)c1 ZINC000174844259 285189273 /nfs/dbraw/zinc/18/92/73/285189273.db2.gz RSNBUJRVWSSMQZ-CQSZACIVSA-N 1 0 307.398 1.742 20 5 DDBDRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000156410408 197110655 /nfs/dbraw/zinc/11/06/55/197110655.db2.gz HBILVGRNIPAJTR-NEPJUHHUSA-N 1 0 306.366 1.593 20 5 DDBDRO CC(C)(C)CNC(=O)C(C)(C)[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000155552601 197065632 /nfs/dbraw/zinc/06/56/32/197065632.db2.gz BCOKNXBIMRMGJD-UHFFFAOYSA-N 1 0 311.386 1.322 20 5 DDBDRO C[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)[C@@H](C)C[N@@H+]1C ZINC000352783385 285298260 /nfs/dbraw/zinc/29/82/60/285298260.db2.gz XYLTUYKSUSAAAS-MNOVXSKESA-N 1 0 309.341 1.827 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[NH2+][C@@H](C)C1 ZINC000417190236 533221579 /nfs/dbraw/zinc/22/15/79/533221579.db2.gz XWASBIJPCKXNMR-JTQLQIEISA-N 1 0 308.338 1.107 20 5 DDBDRO CCN1C[C@H](C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1=O ZINC001120488648 781979297 /nfs/dbraw/zinc/97/92/97/781979297.db2.gz HHMSRKLTCZRDOR-FZMZJTMJSA-N 1 0 307.350 1.086 20 5 DDBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@H](CO)[C@H]1CCCOC1 ZINC000414568977 224354957 /nfs/dbraw/zinc/35/49/57/224354957.db2.gz ZDXJJPZZOIKQIH-STJXIEADSA-N 1 0 306.362 1.985 20 5 DDBDRO C[C@@H]([NH2+]CC1(CO)CCOCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294681464 533359226 /nfs/dbraw/zinc/35/92/26/533359226.db2.gz IEDWPIIYRWQYRB-LLVKDONJSA-N 1 0 309.366 1.617 20 5 DDBDRO CO[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)CC1(C)C ZINC000295908387 533413714 /nfs/dbraw/zinc/41/37/14/533413714.db2.gz HJGRIXHMGOEQPN-CYBMUJFWSA-N 1 0 309.366 1.503 20 5 DDBDRO COc1cc(C(=O)NC2CCC([NH3+])CC2)cc([N+](=O)[O-])c1C ZINC000422769099 533529082 /nfs/dbraw/zinc/52/90/82/533529082.db2.gz SSDAQDLCQHRUDQ-UHFFFAOYSA-N 1 0 307.350 1.912 20 5 DDBDRO COc1cc(C(=O)NC2(C[NH3+])CCCC2)cc([N+](=O)[O-])c1C ZINC000422819744 533529599 /nfs/dbraw/zinc/52/95/99/533529599.db2.gz NVUHIYXNTWPEMS-UHFFFAOYSA-N 1 0 307.350 1.913 20 5 DDBDRO COc1ccc(CNC(=O)C2(C[NH3+])CCCC2)cc1[N+](=O)[O-] ZINC000429915242 533576291 /nfs/dbraw/zinc/57/62/91/533576291.db2.gz ZGMWLHMJFCWQSZ-UHFFFAOYSA-N 1 0 307.350 1.739 20 5 DDBDRO Cc1ccc(C)c(S(=O)(=O)NCC(C)(C)[NH3+])c1[N+](=O)[O-] ZINC000193296078 292087550 /nfs/dbraw/zinc/08/75/50/292087550.db2.gz RLABFUUUOBPPCL-UHFFFAOYSA-N 1 0 301.368 1.227 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000086469037 292294540 /nfs/dbraw/zinc/29/45/40/292294540.db2.gz WRHSUPYBXNDARS-MNOVXSKESA-N 1 0 313.379 1.274 20 5 DDBDRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000570674998 304418763 /nfs/dbraw/zinc/41/87/63/304418763.db2.gz BQPMWTZYVZAXQN-KOLCDFICSA-N 1 0 321.333 1.571 20 5 DDBDRO CN1CC[N@H+](C)C[C@H]1CNCc1ccc([N+](=O)[O-])cc1Cl ZINC000068805455 406661994 /nfs/dbraw/zinc/66/19/94/406661994.db2.gz YYYRYXHBJOWAGN-CYBMUJFWSA-N 1 0 312.801 1.584 20 5 DDBDRO C[C@@H]([NH3+])[C@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000070173608 406810187 /nfs/dbraw/zinc/81/01/87/406810187.db2.gz ANCCUTYBBFLEHV-MNOVXSKESA-N 1 0 313.379 1.343 20 5 DDBDRO O=C(NCC[NH+]1CCCC1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000074448687 406912757 /nfs/dbraw/zinc/91/27/57/406912757.db2.gz LWQBSROLICQEQJ-UHFFFAOYSA-N 1 0 303.322 1.297 20 5 DDBDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000038083110 406999406 /nfs/dbraw/zinc/99/94/06/406999406.db2.gz PDSYHIRHRBFOFO-NWDGAFQWSA-N 1 0 312.391 1.989 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000046879089 407064447 /nfs/dbraw/zinc/06/44/47/407064447.db2.gz KVLUADCYLKNJKN-LLVKDONJSA-N 1 0 306.366 1.760 20 5 DDBDRO O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH2+]C2CCCC2)c1 ZINC000065978423 407246306 /nfs/dbraw/zinc/24/63/06/407246306.db2.gz TYLDMVJPBWOWHR-UHFFFAOYSA-N 1 0 313.379 1.405 20 5 DDBDRO CC[NH+]1CCN(C[C@@H](C)CNC(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000122487265 407303079 /nfs/dbraw/zinc/30/30/79/407303079.db2.gz USYKPTQJSFXTNJ-LBPRGKRZSA-N 1 0 324.381 1.191 20 5 DDBDRO Cc1nn(C)c(C(=O)NCC[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000098098665 407306166 /nfs/dbraw/zinc/30/61/66/407306166.db2.gz FXVSEEZNAQCWOW-UHFFFAOYSA-N 1 0 309.370 1.098 20 5 DDBDRO CN(CC1CC[NH+](C)CC1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000103453658 407339587 /nfs/dbraw/zinc/33/95/87/407339587.db2.gz CCDBYUCNYMOPAV-UHFFFAOYSA-N 1 0 305.378 1.938 20 5 DDBDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000124357647 407356097 /nfs/dbraw/zinc/35/60/97/407356097.db2.gz WBJSXKARKOMFSE-CYBMUJFWSA-N 1 0 323.397 1.276 20 5 DDBDRO O=[N+]([O-])c1ccn(CCN2CCO[C@H](c3ccsc3)C2)n1 ZINC000125796093 407398010 /nfs/dbraw/zinc/39/80/10/407398010.db2.gz FWCADELURJYJAU-LBPRGKRZSA-N 1 0 308.363 1.926 20 5 DDBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000178735984 407572059 /nfs/dbraw/zinc/57/20/59/407572059.db2.gz NBXKOORMEVVHJU-WDEREUQCSA-N 1 0 309.391 1.944 20 5 DDBDRO CC(C)(C)[C@@H](C[NH3+])NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000261594969 407545745 /nfs/dbraw/zinc/54/57/45/407545745.db2.gz BSUZADVERHCLQZ-GFCCVEGCSA-N 1 0 315.395 1.388 20 5 DDBDRO CO[C@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)[C@@H](C[NH3+])C1 ZINC000261827860 407632296 /nfs/dbraw/zinc/63/22/96/407632296.db2.gz BCNZGRUPDZFWSU-KGLIPLIRSA-N 1 0 307.350 1.102 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@@H]2[C@H](O)C(F)(F)F)c1 ZINC000266907312 407670301 /nfs/dbraw/zinc/67/03/01/407670301.db2.gz BOLNDTIPIMBBNL-ZJUUUORDSA-N 1 0 308.260 1.179 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000261900009 407663396 /nfs/dbraw/zinc/66/33/96/407663396.db2.gz OUAGZSDWIAVGGI-ZDUSSCGKSA-N 1 0 318.377 1.023 20 5 DDBDRO CC(C)C[C@H](C[NH3+])NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000236602772 407731965 /nfs/dbraw/zinc/73/19/65/407731965.db2.gz KTEHFXJAYMTEIC-SECBINFHSA-N 1 0 305.338 1.574 20 5 DDBDRO CN(CC(=O)NC[C@@H]1CCCC[NH2+]1)c1ccccc1[N+](=O)[O-] ZINC000237063300 407793936 /nfs/dbraw/zinc/79/39/36/407793936.db2.gz HFGJZIHMXMFBKJ-LBPRGKRZSA-N 1 0 306.366 1.289 20 5 DDBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)Cc3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC000262314364 407794597 /nfs/dbraw/zinc/79/45/97/407794597.db2.gz QDUZXRIPUJXMRX-BPLDGKMQSA-N 1 0 303.362 1.723 20 5 DDBDRO C[C@H]1CCCN(C(=O)COc2ccc([N+](=O)[O-])cc2)[C@H]1C[NH3+] ZINC000237697517 407835535 /nfs/dbraw/zinc/83/55/35/407835535.db2.gz GPIZCUKFDGTQSU-FZMZJTMJSA-N 1 0 307.350 1.559 20 5 DDBDRO [NH3+]CC1CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000238024986 407872569 /nfs/dbraw/zinc/87/25/69/407872569.db2.gz WMHJEDRPSNUTCH-UHFFFAOYSA-N 1 0 320.393 1.984 20 5 DDBDRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000262607306 407879401 /nfs/dbraw/zinc/87/94/01/407879401.db2.gz CCTDCWIKBSAMRH-STQMWFEESA-N 1 0 321.377 1.997 20 5 DDBDRO Cc1cc(S(=O)(=O)N[C@H]2CC[NH2+][C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000262747779 407914714 /nfs/dbraw/zinc/91/47/14/407914714.db2.gz AXKPAAXWGNLUPK-QWRGUYRKSA-N 1 0 313.379 1.322 20 5 DDBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000268177652 407931028 /nfs/dbraw/zinc/93/10/28/407931028.db2.gz KWSHIZRJLPPIEF-IAQYHMDHSA-N 1 0 319.361 1.573 20 5 DDBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000272601483 408000015 /nfs/dbraw/zinc/00/00/15/408000015.db2.gz HERRHLAHXCIDNP-JOYOIKCWSA-N 1 0 304.350 1.390 20 5 DDBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000272601478 408002646 /nfs/dbraw/zinc/00/26/46/408002646.db2.gz HERRHLAHXCIDNP-CABZTGNLSA-N 1 0 304.350 1.390 20 5 DDBDRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000154310364 408013788 /nfs/dbraw/zinc/01/37/88/408013788.db2.gz ZQJWZJJFOGIVNL-ZDUSSCGKSA-N 1 0 323.397 1.418 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N(C)CC[NH+](C)C ZINC000154788429 408086547 /nfs/dbraw/zinc/08/65/47/408086547.db2.gz UIDSUXYULNCQLE-UHFFFAOYSA-N 1 0 322.365 1.170 20 5 DDBDRO CC(C)(C)[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C[C@@H]1O ZINC000273244429 408123675 /nfs/dbraw/zinc/12/36/75/408123675.db2.gz GERNIQHYFXWIGT-KGLIPLIRSA-N 1 0 323.393 1.485 20 5 DDBDRO O=[N+]([O-])c1ccc(CCN2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000175474803 408140008 /nfs/dbraw/zinc/14/00/08/408140008.db2.gz QKSLWKGXWWBWCK-UHFFFAOYSA-N 1 0 319.405 1.934 20 5 DDBDRO Cc1c([C@H](C)[NH2+]C[C@@H]2CCS(=O)(=O)C2)cccc1[N+](=O)[O-] ZINC000268733123 408182114 /nfs/dbraw/zinc/18/21/14/408182114.db2.gz CSJVQZHHOHTWMV-RYUDHWBXSA-N 1 0 312.391 1.989 20 5 DDBDRO COc1ccc([C@H](CO)[N@H+](C)CCn2ccc([N+](=O)[O-])n2)cc1 ZINC000176243406 408322025 /nfs/dbraw/zinc/32/20/25/408322025.db2.gz DTEQQFHKMMYYSI-AWEZNQCLSA-N 1 0 320.349 1.465 20 5 DDBDRO C[NH+](C)C[C@H]1CCCN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000263917225 408313919 /nfs/dbraw/zinc/31/39/19/408313919.db2.gz NJGZNXLHCYJEQC-CYBMUJFWSA-N 1 0 307.350 1.526 20 5 DDBDRO C[C@@H]1CC(O)C[C@H](C)[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000191190289 408383926 /nfs/dbraw/zinc/38/39/26/408383926.db2.gz ARTFGOJESFOSBV-PIGZVRMJSA-N 1 0 324.377 1.568 20 5 DDBDRO COc1cc(C(=O)NC2CC[NH+](C)CC2)cc([N+](=O)[O-])c1C ZINC000191238109 408392812 /nfs/dbraw/zinc/39/28/12/408392812.db2.gz SJHQTSKVKAJBBV-UHFFFAOYSA-N 1 0 307.350 1.736 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000274427200 408401164 /nfs/dbraw/zinc/40/11/64/408401164.db2.gz FIPJTARBIVLSKI-CYBMUJFWSA-N 1 0 323.397 1.479 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000247210383 408430881 /nfs/dbraw/zinc/43/08/81/408430881.db2.gz CFWJLSFMUFSWES-JQWIXIFHSA-N 1 0 309.370 1.041 20 5 DDBDRO C[C@@H]1C[C@@H](NC(=O)Cc2ccccc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000177128932 408528200 /nfs/dbraw/zinc/52/82/00/408528200.db2.gz KQFOATOKPVTRCR-DGCLKSJQSA-N 1 0 303.362 1.879 20 5 DDBDRO C[C@@H]1C[C@@H](NC(=O)COc2cccc([N+](=O)[O-])c2)C[N@@H+]1C1CC1 ZINC000177133893 408529975 /nfs/dbraw/zinc/52/99/75/408529975.db2.gz FNIMYLZJIQDGDJ-VXGBXAGGSA-N 1 0 319.361 1.715 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000177205417 408553120 /nfs/dbraw/zinc/55/31/20/408553120.db2.gz YFHHWYWDYAIPOT-QWRGUYRKSA-N 1 0 319.361 1.958 20 5 DDBDRO C[C@@H]1CN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@H]1[NH+](C)C ZINC000270553859 408577859 /nfs/dbraw/zinc/57/78/59/408577859.db2.gz CEAULLYODWVWCR-IUODEOHRSA-N 1 0 320.393 1.440 20 5 DDBDRO CC1(C)C[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC[C@@H]1O ZINC000275543101 408595847 /nfs/dbraw/zinc/59/58/47/408595847.db2.gz ZFKCGJCLFBREOE-DOMZBBRYSA-N 1 0 324.377 1.427 20 5 DDBDRO C[C@H]1C[C@H](NC(=O)c2ccc(N)c([N+](=O)[O-])c2)C[N@@H+]1C1CC1 ZINC000177154572 408536094 /nfs/dbraw/zinc/53/60/94/408536094.db2.gz XZBJJXOBUOCYFP-ONGXEEELSA-N 1 0 304.350 1.532 20 5 DDBDRO C[NH+](C)[C@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])c1ccccc1 ZINC000160922575 408540424 /nfs/dbraw/zinc/54/04/24/408540424.db2.gz DIAVOYFGDXIBKY-LLVKDONJSA-N 1 0 303.322 1.351 20 5 DDBDRO COC(=O)[C@]1(C)CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000177434645 408615050 /nfs/dbraw/zinc/61/50/50/408615050.db2.gz JYTVBBBYUOJFKO-OAHLLOKOSA-N 1 0 308.334 1.859 20 5 DDBDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000270746079 408662139 /nfs/dbraw/zinc/66/21/39/408662139.db2.gz HFGOYJOEADUIFR-UTUOFQBUSA-N 1 0 323.397 1.425 20 5 DDBDRO NC(=O)[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000184842494 408701401 /nfs/dbraw/zinc/70/14/01/408701401.db2.gz XNRNVBAXEMRIKI-GHMZBOCLSA-N 1 0 320.349 1.167 20 5 DDBDRO Nc1c(C(=O)N2C[C@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc(F)cc1[N+](=O)[O-] ZINC000185148720 408769274 /nfs/dbraw/zinc/76/92/74/408769274.db2.gz LZJPOPJNFNXNNE-AVPPRXQKSA-N 1 0 308.313 1.125 20 5 DDBDRO CCOCCOCC[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000276114547 408821363 /nfs/dbraw/zinc/82/13/63/408821363.db2.gz AGGSAFDLHYJZRI-UHFFFAOYSA-N 1 0 312.366 1.959 20 5 DDBDRO CC(C)CN(C(=O)c1cc([N+](=O)[O-])n[nH]1)C1CC[NH+](C)CC1 ZINC000285631323 408832211 /nfs/dbraw/zinc/83/22/11/408832211.db2.gz RFQATRDSDGCIDQ-UHFFFAOYSA-N 1 0 309.370 1.510 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000186994548 163000842 /nfs/dbraw/zinc/00/08/42/163000842.db2.gz FSUDWRSLGZWUSD-UHFFFAOYSA-N 1 0 323.397 1.433 20 5 DDBDRO O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000277432165 408939007 /nfs/dbraw/zinc/93/90/07/408939007.db2.gz DTCZJRYFDUIFPJ-ZDUSSCGKSA-N 1 0 321.381 1.315 20 5 DDBDRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000291892390 408940509 /nfs/dbraw/zinc/94/05/09/408940509.db2.gz MLOZPHIKAUHSPH-GFCCVEGCSA-N 1 0 309.366 1.819 20 5 DDBDRO CCc1n[nH]c(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000277690966 408993696 /nfs/dbraw/zinc/99/36/96/408993696.db2.gz KJIPTQYKDIIJQM-MNOVXSKESA-N 1 0 307.354 1.237 20 5 DDBDRO C[C@@H](C[NH+](C)C)NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000287292766 409014328 /nfs/dbraw/zinc/01/43/28/409014328.db2.gz USFLSFAUJMNCCJ-NSHDSACASA-N 1 0 317.349 1.460 20 5 DDBDRO CO[C@@]1(C)CCC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000279313538 409189509 /nfs/dbraw/zinc/18/95/09/409189509.db2.gz NKOZJWBPKPHLMS-HOCLYGCPSA-N 1 0 324.377 1.835 20 5 DDBDRO C[C@@H]([NH2+]CC(=O)NCC(F)(F)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293577701 409141330 /nfs/dbraw/zinc/14/13/30/409141330.db2.gz DTVWGVIYPZBLFM-SSDOTTSWSA-N 1 0 320.271 1.506 20 5 DDBDRO C[N@H+](CCC(N)=O)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000293720807 409168500 /nfs/dbraw/zinc/16/85/00/409168500.db2.gz YKXBLGAGFGXRMU-UHFFFAOYSA-N 1 0 305.256 1.921 20 5 DDBDRO O=[N+]([O-])c1cnc(N[C@@H](CO)C[NH+]2CCCCC2)c(Cl)c1 ZINC000289189712 409230844 /nfs/dbraw/zinc/23/08/44/409230844.db2.gz SWDLMLAOMKXGJK-SNVBAGLBSA-N 1 0 314.773 1.902 20 5 DDBDRO CO[C@@H]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)[C@@H](C[NH3+])C1 ZINC000262103526 163768318 /nfs/dbraw/zinc/76/83/18/163768318.db2.gz JBKSUNBUTJGWCK-CHWSQXEVSA-N 1 0 311.313 1.312 20 5 DDBDRO COC(=O)c1cc(C)nc(N[C@@H]2CC[N@@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000283732333 409205688 /nfs/dbraw/zinc/20/56/88/409205688.db2.gz IAMRPGFBICMZSX-LLVKDONJSA-N 1 0 322.365 1.979 20 5 DDBDRO CO[C@@]1(C)CCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000280359174 409299251 /nfs/dbraw/zinc/29/92/51/409299251.db2.gz JPMIMRMNTQOBSB-HNNXBMFYSA-N 1 0 309.366 1.648 20 5 DDBDRO COc1cc(C(=O)N[C@@H](C[NH3+])C2CCCC2)ccc1[N+](=O)[O-] ZINC000262552016 163847914 /nfs/dbraw/zinc/84/79/14/163847914.db2.gz SORFLWCTEUNOCB-LBPRGKRZSA-N 1 0 307.350 1.851 20 5 DDBDRO CC[C@@H]([NH3+])CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000295186034 409361426 /nfs/dbraw/zinc/36/14/26/409361426.db2.gz IFWVLEFWBYCBDA-LLVKDONJSA-N 1 0 303.322 1.248 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCO[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000285326947 409408105 /nfs/dbraw/zinc/40/81/05/409408105.db2.gz RWOZACUMANJVNN-HUUCEWRRSA-N 1 0 319.361 1.448 20 5 DDBDRO CC[C@@H](C)[NH+]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000296080089 409421332 /nfs/dbraw/zinc/42/13/32/409421332.db2.gz PELNHZMVQTYRIG-GFCCVEGCSA-N 1 0 320.393 1.610 20 5 DDBDRO CCc1nn(C)c(NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1[N+](=O)[O-] ZINC000317844502 164028911 /nfs/dbraw/zinc/02/89/11/164028911.db2.gz YAJXIMXGAIDACF-MNOVXSKESA-N 1 0 309.370 1.166 20 5 DDBDRO CC[N@H+](CCNC(=O)c1cccc([N+](=O)[O-])c1NC)C1CC1 ZINC000318884672 164033896 /nfs/dbraw/zinc/03/38/96/164033896.db2.gz NIFFVHGBSOZICD-UHFFFAOYSA-N 1 0 306.366 1.851 20 5 DDBDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1cc([N+](=O)[O-])nn1C ZINC000357056812 164138191 /nfs/dbraw/zinc/13/81/91/164138191.db2.gz XZGLJNYDMVITDQ-LLVKDONJSA-N 1 0 309.370 1.275 20 5 DDBDRO CCc1n[nH]c(C(=O)N2CC[N@@H+](C3CC3)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000295425728 409475694 /nfs/dbraw/zinc/47/56/94/409475694.db2.gz UHMSWWOSXKUJCI-JTQLQIEISA-N 1 0 321.381 1.437 20 5 DDBDRO C[C@H](C[NH+]1CCCCCC1)NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000331471618 409543949 /nfs/dbraw/zinc/54/39/49/409543949.db2.gz IEVPSUBHIXFSDH-LLVKDONJSA-N 1 0 309.370 1.323 20 5 DDBDRO CC[N@@H+]1C[C@H](C)N(c2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H]1C ZINC000345170674 409656959 /nfs/dbraw/zinc/65/69/59/409656959.db2.gz IVKJNMOZGWWJKW-QWRGUYRKSA-N 1 0 306.366 1.613 20 5 DDBDRO COC[C@H](C)OC[C@@H](O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296870124 409679438 /nfs/dbraw/zinc/67/94/38/409679438.db2.gz ZMVNOKNCWLRJBS-HUBLWGQQSA-N 1 0 312.366 1.658 20 5 DDBDRO C[C@H](C[NH+](C)C)NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000346130233 409808452 /nfs/dbraw/zinc/80/84/52/409808452.db2.gz GSSKCNDXVOTHSU-LLVKDONJSA-N 1 0 317.349 1.460 20 5 DDBDRO CC(C)[N@H+](C)C[C@H](C)NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000354515333 409910600 /nfs/dbraw/zinc/91/06/00/409910600.db2.gz YBFNZIPHZFTLKE-NSHDSACASA-N 1 0 322.365 1.378 20 5 DDBDRO CC[N@H+](CCO)CCNC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000297497196 409921200 /nfs/dbraw/zinc/92/12/00/409921200.db2.gz FYKWZJCAUHOHLZ-LBPRGKRZSA-N 1 0 324.381 1.269 20 5 DDBDRO CC(C)[N@H+](C)C[C@H](O)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000324105237 409923534 /nfs/dbraw/zinc/92/35/34/409923534.db2.gz JUGGCXKZCCFSMY-AWEZNQCLSA-N 1 0 319.365 1.554 20 5 DDBDRO CNC(=O)c1ccc(N2C[C@@H](C)[NH+](C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000338794058 410036871 /nfs/dbraw/zinc/03/68/71/410036871.db2.gz KLJIWFIEPCGNBQ-GHMZBOCLSA-N 1 0 306.366 1.483 20 5 DDBDRO C[C@H]1CN(c2ccc([N+](=O)[O-])nc2)CCN1C1CC[NH+](C)CC1 ZINC000354741680 410052970 /nfs/dbraw/zinc/05/29/70/410052970.db2.gz DAYJDQWWTDZNJD-ZDUSSCGKSA-N 1 0 319.409 1.595 20 5 DDBDRO CC[N@@H+]1CC[C@H]2OCCN(Cc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000339389469 410150089 /nfs/dbraw/zinc/15/00/89/410150089.db2.gz CCSAYMMOILPBAN-JKSUJKDBSA-N 1 0 305.378 1.890 20 5 DDBDRO CC[N@@H+]1CC[C@@H]2OCCN(Cc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000339395810 410157038 /nfs/dbraw/zinc/15/70/38/410157038.db2.gz LYMRGMPUKVYWSK-CVEARBPZSA-N 1 0 305.378 1.890 20 5 DDBDRO CC[N@@H+]1CC[C@H]2OCCN(Cc3csc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000339396115 410157233 /nfs/dbraw/zinc/15/72/33/410157233.db2.gz TWECKCWIRXRMQP-CHWSQXEVSA-N 1 0 311.407 1.951 20 5 DDBDRO C[NH+](C)C1(CNc2ncc([N+](=O)[O-])cc2C(N)=O)CCCCC1 ZINC000298294991 410170369 /nfs/dbraw/zinc/17/03/69/410170369.db2.gz JZUXHEZVHINSFM-UHFFFAOYSA-N 1 0 321.381 1.765 20 5 DDBDRO C[N@@H+]1CCCC[C@@H]1CCC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000355028096 410249497 /nfs/dbraw/zinc/24/94/97/410249497.db2.gz QDFQFQDEKPRIHB-GFCCVEGCSA-N 1 0 309.370 1.172 20 5 DDBDRO Cc1ccc(NC(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000332716099 410231564 /nfs/dbraw/zinc/23/15/64/410231564.db2.gz VXRBQBYDXPBQNY-NWDGAFQWSA-N 1 0 304.350 1.976 20 5 DDBDRO CC(C)[C@H]1CN(c2cccc(C(N)=O)c2[N+](=O)[O-])CC[N@@H+]1C ZINC000343206877 410234964 /nfs/dbraw/zinc/23/49/64/410234964.db2.gz OOKWTTDBELCMQW-CYBMUJFWSA-N 1 0 306.366 1.470 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1-c1noc(C2CC[NH+](C3CC3)CC2)n1 ZINC000347138501 410355204 /nfs/dbraw/zinc/35/52/04/410355204.db2.gz RBZVKWZCDYPKFP-UHFFFAOYSA-N 1 0 318.337 1.720 20 5 DDBDRO CN1CC[C@@](O)(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000358254179 410420043 /nfs/dbraw/zinc/42/00/43/410420043.db2.gz PDAYITXRDGJESZ-NVXWUHKLSA-N 1 0 319.405 1.572 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1CNC[C@@]1(O)CC[N@H+](C)C1 ZINC000358132108 410377188 /nfs/dbraw/zinc/37/71/88/410377188.db2.gz GMFMLLZVKOZNFX-HNNXBMFYSA-N 1 0 309.366 1.150 20 5 DDBDRO CCN1CCN(C(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000298950645 410460149 /nfs/dbraw/zinc/46/01/49/410460149.db2.gz SVZCKMGCIGEWFR-UHFFFAOYSA-N 1 0 322.365 1.451 20 5 DDBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000343583948 410552914 /nfs/dbraw/zinc/55/29/14/410552914.db2.gz ZIULSRCPHGZWRU-LBPRGKRZSA-N 1 0 323.397 1.517 20 5 DDBDRO COCCC[NH+]1CCC(Nc2c([N+](=O)[O-])c(C)nn2C)CC1 ZINC000301139798 410663221 /nfs/dbraw/zinc/66/32/21/410663221.db2.gz DBRIKSWJLKVTRC-UHFFFAOYSA-N 1 0 311.386 1.550 20 5 DDBDRO CC[C@]1(C(=O)NCc2cc([N+](=O)[O-])ccc2OC)CCC[NH2+]1 ZINC000343832782 410734872 /nfs/dbraw/zinc/73/48/72/410734872.db2.gz PRTHTMNYPRSJHK-OAHLLOKOSA-N 1 0 307.350 1.752 20 5 DDBDRO CC(C)[C@@](C)(CO)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000352916821 410687443 /nfs/dbraw/zinc/68/74/43/410687443.db2.gz RMRIZSINZZXELB-UKRRQHHQSA-N 1 0 312.366 1.331 20 5 DDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@H](OCC[NH+](C)C)C1 ZINC000359586550 410754145 /nfs/dbraw/zinc/75/41/45/410754145.db2.gz JZZIHPYSNMEOTE-LBPRGKRZSA-N 1 0 311.386 1.277 20 5 DDBDRO Cn1c(C(=O)NC2CC[NH+](C(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC000330541759 410758937 /nfs/dbraw/zinc/75/89/37/410758937.db2.gz SIQLKVVZVPLSFI-UHFFFAOYSA-N 1 0 308.382 1.926 20 5 DDBDRO Cc1nc(NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)ccc1[N+](=O)[O-] ZINC000301664705 410765904 /nfs/dbraw/zinc/76/59/04/410765904.db2.gz WAVNFUIILLUCDN-LBPRGKRZSA-N 1 0 321.381 1.298 20 5 DDBDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000330565225 410779978 /nfs/dbraw/zinc/77/99/78/410779978.db2.gz ACZKFZRTZIDVSU-STQMWFEESA-N 1 0 320.393 1.582 20 5 DDBDRO Cc1ccc(NC[C@@](C)(O)CN2CCOCC2)c([N+](=O)[O-])c1 ZINC000301740610 410784220 /nfs/dbraw/zinc/78/42/20/410784220.db2.gz DPAQYPQHWKLSME-OAHLLOKOSA-N 1 0 309.366 1.398 20 5 DDBDRO Cc1c(CC(=O)N2CC[N@@H+](C)[C@@H](C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000330628564 410837739 /nfs/dbraw/zinc/83/77/39/410837739.db2.gz LSAIBLVRRMKWLC-STQMWFEESA-N 1 0 305.378 1.997 20 5 DDBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2c2ccc3ncc([N+](=O)[O-])n3n2)C1 ZINC000302709282 410850031 /nfs/dbraw/zinc/85/00/31/410850031.db2.gz DDRCDJFGXZZMDV-NEPJUHHUSA-N 1 0 316.365 1.558 20 5 DDBDRO COC(=O)COc1ccc(C[NH2+][C@]2(C)CCOC2)cc1[N+](=O)[O-] ZINC000353204293 410851742 /nfs/dbraw/zinc/85/17/42/410851742.db2.gz BSAMBAOXVVIKED-OAHLLOKOSA-N 1 0 324.333 1.415 20 5 DDBDRO C[C@H]1C[C@H](NC(=O)NCCc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000341187157 410925170 /nfs/dbraw/zinc/92/51/70/410925170.db2.gz CGVZSRHUSOHKHF-GXTWGEPZSA-N 1 0 320.393 1.919 20 5 DDBDRO O=C(N[C@H]1CC[N@H+](CC2CCCC2)C1)c1cc([N+](=O)[O-])n[nH]1 ZINC000353369161 410944506 /nfs/dbraw/zinc/94/45/06/410944506.db2.gz KCBNOMCVBKELDE-NSHDSACASA-N 1 0 307.354 1.312 20 5 DDBDRO Cn1nc([N+](=O)[O-])cc1C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000356435028 411030593 /nfs/dbraw/zinc/03/05/93/411030593.db2.gz ZSLYUIUYJOHXIW-UHFFFAOYSA-N 1 0 307.354 1.029 20 5 DDBDRO COc1cc([N+](=O)[O-])c(C(=O)NC(C)(C)C[NH3+])cc1SC ZINC000580768680 422952009 /nfs/dbraw/zinc/95/20/09/422952009.db2.gz PSIHJKBWUYRIIL-UHFFFAOYSA-N 1 0 313.379 1.792 20 5 DDBDRO CCNC(=O)[C@@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC001120559451 782023165 /nfs/dbraw/zinc/02/31/65/782023165.db2.gz SWKFTKXXAPDDQN-KGLIPLIRSA-N 1 0 309.366 1.379 20 5 DDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000295588611 225021162 /nfs/dbraw/zinc/02/11/62/225021162.db2.gz WGGFSCYTSDHNAM-AWEZNQCLSA-N 1 0 321.377 1.100 20 5 DDBDRO COCCOCC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447526479 292583657 /nfs/dbraw/zinc/58/36/57/292583657.db2.gz BUDRHNHFOKIGSP-QWHCGFSZSA-N 1 0 312.370 1.528 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000417172059 225231274 /nfs/dbraw/zinc/23/12/74/225231274.db2.gz FHPYGSFMZZLXFN-CMPLNLGQSA-N 1 0 322.365 1.543 20 5 DDBDRO CN(C)CC[N@H+](C)CCCNc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000295733390 225174664 /nfs/dbraw/zinc/17/46/64/225174664.db2.gz WSFPQMXFZQTTKN-UHFFFAOYSA-N 1 0 320.397 1.767 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000417197372 225241431 /nfs/dbraw/zinc/24/14/31/225241431.db2.gz QBPXKNDCDYNAEZ-NSHDSACASA-N 1 0 322.365 1.402 20 5 DDBDRO O=C(NC[C@H]1CC[NH2+]C1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000418508684 225768159 /nfs/dbraw/zinc/76/81/59/225768159.db2.gz AGWFEPSDAVKAON-NSHDSACASA-N 1 0 320.349 1.108 20 5 DDBDRO C[C@@H]([NH3+])CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000194891202 418550427 /nfs/dbraw/zinc/55/04/27/418550427.db2.gz XTNBNHZLOSKYGU-SSDOTTSWSA-N 1 0 316.155 1.363 20 5 DDBDRO CC[NH+](CC)CCO[C@H]1CCN(c2ccncc2[N+](=O)[O-])C1 ZINC000360986572 418560187 /nfs/dbraw/zinc/56/01/87/418560187.db2.gz ULRBQYCNZNONIT-ZDUSSCGKSA-N 1 0 308.382 1.927 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H](C)[C@@H]1CO ZINC000190378207 222076836 /nfs/dbraw/zinc/07/68/36/222076836.db2.gz HFPRSXBPTVQTSU-DOMZBBRYSA-N 1 0 321.377 1.935 20 5 DDBDRO CNc1c(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000361172487 418597512 /nfs/dbraw/zinc/59/75/12/418597512.db2.gz TVIAVRHVJCOFNO-LLVKDONJSA-N 1 0 318.377 1.851 20 5 DDBDRO O=C(c1ccc([N+](=O)[O-])o1)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000361199467 418605050 /nfs/dbraw/zinc/60/50/50/418605050.db2.gz DUQVIHZZTVSCAF-TUAOUCFPSA-N 1 0 305.334 1.744 20 5 DDBDRO C[C@@H](c1nncn1C)N1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000367881546 418651316 /nfs/dbraw/zinc/65/13/16/418651316.db2.gz SDLZOKVFIWHHNH-QWRGUYRKSA-N 1 0 305.342 1.318 20 5 DDBDRO C[C@@H]1OCC[C@H]1[N@H+](CCO)CCOc1ccc([N+](=O)[O-])cc1 ZINC000361583629 418685572 /nfs/dbraw/zinc/68/55/72/418685572.db2.gz LPGOJQURIIQLMF-SWLSCSKDSA-N 1 0 310.350 1.445 20 5 DDBDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000387549061 418743322 /nfs/dbraw/zinc/74/33/22/418743322.db2.gz AZBCDJHDDZYUCH-LLVKDONJSA-N 1 0 306.366 1.637 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@H](O)C[C@H]1C ZINC000411413828 418901435 /nfs/dbraw/zinc/90/14/35/418901435.db2.gz AONLDTWRLPHYJY-ZYHUDNBSSA-N 1 0 323.349 1.387 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000365249230 418845546 /nfs/dbraw/zinc/84/55/46/418845546.db2.gz PZTQGNJCHGFBFZ-RYUDHWBXSA-N 1 0 319.361 1.960 20 5 DDBDRO NC(=O)c1ccc(C[N@@H+]2CC[C@@](O)(C3CC3)C2)c([N+](=O)[O-])c1 ZINC000373239740 418933189 /nfs/dbraw/zinc/93/31/89/418933189.db2.gz BAAKPOKEWARYLZ-HNNXBMFYSA-N 1 0 305.334 1.041 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000424052819 228223312 /nfs/dbraw/zinc/22/33/12/228223312.db2.gz NIGAVZWGJMNDLP-FOGDFJRCSA-N 1 0 306.366 1.744 20 5 DDBDRO C[C@H]1CC2(CN1C(=O)CCn1cc([N+](=O)[O-])cn1)CC[NH2+]CC2 ZINC000424232765 228249650 /nfs/dbraw/zinc/24/96/50/228249650.db2.gz HTDPPVUUHOEEIL-LBPRGKRZSA-N 1 0 321.381 1.172 20 5 DDBDRO C[C@H]([NH3+])[C@H](C)NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000417998416 419459240 /nfs/dbraw/zinc/45/92/40/419459240.db2.gz VFFLHGFSCMJPHK-IUCAKERBSA-N 1 0 314.773 1.826 20 5 DDBDRO COc1ccc(C[N@@H+]2CC[C@@H](C(=O)N(C)C)C2)cc1[N+](=O)[O-] ZINC000411947659 419515682 /nfs/dbraw/zinc/51/56/82/419515682.db2.gz UFBRCDAFXYVBLN-GFCCVEGCSA-N 1 0 307.350 1.514 20 5 DDBDRO C[C@@H]1[C@@H](CO)CCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000412079777 419635141 /nfs/dbraw/zinc/63/51/41/419635141.db2.gz NATDXKPYNVKAED-NFAWXSAZSA-N 1 0 324.377 1.427 20 5 DDBDRO O=C(CCN1CC[C@H]2[NH2+]CC[C@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000428036909 419797398 /nfs/dbraw/zinc/79/73/98/419797398.db2.gz RXFMPHXYENDRFA-SWLSCSKDSA-N 1 0 318.377 1.607 20 5 DDBDRO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N[C@@H]1CC[NH2+]C1 ZINC000414942938 419885056 /nfs/dbraw/zinc/88/50/56/419885056.db2.gz DUHYWEKHYMTJEI-SSDOTTSWSA-N 1 0 316.264 1.680 20 5 DDBDRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000418584714 419887982 /nfs/dbraw/zinc/88/79/82/419887982.db2.gz CMLIFOMHUJERSI-WCQYABFASA-N 1 0 306.366 1.734 20 5 DDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCC1=CC[NH2+]CC1 ZINC000418537823 419864046 /nfs/dbraw/zinc/86/40/46/419864046.db2.gz KAPUZNOJSMQZOE-UHFFFAOYSA-N 1 0 304.350 1.656 20 5 DDBDRO COc1ccc(NC(=O)N2CC[C@]3(CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000415440298 420067091 /nfs/dbraw/zinc/06/70/91/420067091.db2.gz NYLBLLXEBUDNOW-HNNXBMFYSA-N 1 0 320.349 1.821 20 5 DDBDRO C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000415510792 420095119 /nfs/dbraw/zinc/09/51/19/420095119.db2.gz ZRUWTWQBJKSRJG-CABZTGNLSA-N 1 0 308.338 1.829 20 5 DDBDRO COc1cc(C(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)cc([N+](=O)[O-])c1C ZINC000423619205 420102278 /nfs/dbraw/zinc/10/22/78/420102278.db2.gz IBCFQDKZAIPTPZ-JOYOIKCWSA-N 1 0 307.350 1.782 20 5 DDBDRO COc1cc(C(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)cc([N+](=O)[O-])c1C ZINC000423534392 420075053 /nfs/dbraw/zinc/07/50/53/420075053.db2.gz VUSBZNGLBDUNML-WDEREUQCSA-N 1 0 307.350 1.721 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@H]1C[NH2+]CCN1C ZINC000415484843 420085249 /nfs/dbraw/zinc/08/52/49/420085249.db2.gz ORDFBNTZCYXMBM-GFCCVEGCSA-N 1 0 321.381 1.237 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[NH2+]C[C@H]2C)c1 ZINC000423590365 420089990 /nfs/dbraw/zinc/08/99/90/420089990.db2.gz IHELZVQHKGNKDN-MFKMUULPSA-N 1 0 307.350 1.721 20 5 DDBDRO C[C@H]1CN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC[C@H]1[NH3+] ZINC000430919994 420204772 /nfs/dbraw/zinc/20/47/72/420204772.db2.gz SRWMEWTUQRQIRG-GXFFZTMASA-N 1 0 317.349 1.814 20 5 DDBDRO O=C(C[C@H]1COCC[NH2+]1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423729713 420146484 /nfs/dbraw/zinc/14/64/84/420146484.db2.gz VGUMVNQCGOLUFP-ZDUSSCGKSA-N 1 0 319.361 1.464 20 5 DDBDRO Cc1c(NC(=O)CCN2CCC[C@H]2C[NH3+])cccc1[N+](=O)[O-] ZINC000430591875 420151117 /nfs/dbraw/zinc/15/11/17/420151117.db2.gz PAOLSDKIWFJYBN-LBPRGKRZSA-N 1 0 306.366 1.655 20 5 DDBDRO O=[N+]([O-])c1cccc2ncnc(NCC[C@H]3CCC[NH2+]C3)c21 ZINC000420210779 420152434 /nfs/dbraw/zinc/15/24/34/420152434.db2.gz SOKCMMDPSVPPEK-LLVKDONJSA-N 1 0 301.350 2.340 20 5 DDBDRO COc1ccc(NC(=O)CN2CCCC[C@@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000430658370 420172241 /nfs/dbraw/zinc/17/22/41/420172241.db2.gz XJCAGVJMFJYGIE-LLVKDONJSA-N 1 0 322.365 1.355 20 5 DDBDRO [NH3+][C@H]1CCC[C@@H](CNc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C1 ZINC000420288387 420182400 /nfs/dbraw/zinc/18/24/00/420182400.db2.gz SEEPQXVYXDPOPP-ZJUUUORDSA-N 1 0 317.349 2.173 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000430954902 420221332 /nfs/dbraw/zinc/22/13/32/420221332.db2.gz YATKDAYAUJMULV-CHWSQXEVSA-N 1 0 320.393 1.914 20 5 DDBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430968240 420228034 /nfs/dbraw/zinc/22/80/34/420228034.db2.gz WGKHPBMPFYKHBO-SUNKGSAMSA-N 1 0 306.366 1.591 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H](C[NH3+])C(C)(C)C ZINC000420356303 420232800 /nfs/dbraw/zinc/23/28/00/420232800.db2.gz GAHSIRANIGKCKG-LBPRGKRZSA-N 1 0 308.382 1.805 20 5 DDBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000420360920 420236828 /nfs/dbraw/zinc/23/68/28/420236828.db2.gz HOUVAILUZICTIX-WQGACYEGSA-N 1 0 320.393 1.534 20 5 DDBDRO CCc1ccccc1[C@H]([NH3+])CNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000423979046 420290051 /nfs/dbraw/zinc/29/00/51/420290051.db2.gz OYDMHLSGMVTLOE-CYBMUJFWSA-N 1 0 302.334 1.915 20 5 DDBDRO Cc1c(NC(=O)[C@@H](C)N2CC[NH2+][C@H](C)C2)cccc1[N+](=O)[O-] ZINC000420339944 420220764 /nfs/dbraw/zinc/22/07/64/420220764.db2.gz RPSWZPRFZQSXTR-ZYHUDNBSSA-N 1 0 306.366 1.524 20 5 DDBDRO COc1ccc(NC(=O)CN2CC[NH2+][C@@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000436056946 420304495 /nfs/dbraw/zinc/30/44/95/420304495.db2.gz FGVOEJUZESZFTQ-QWRGUYRKSA-N 1 0 322.365 1.224 20 5 DDBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000420786159 420389674 /nfs/dbraw/zinc/38/96/74/420389674.db2.gz VDEQVSSSRLUHBI-AWEZNQCLSA-N 1 0 306.366 1.830 20 5 DDBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@H](n3ccnn3)C2)c1 ZINC000425498856 420399821 /nfs/dbraw/zinc/39/98/21/420399821.db2.gz HMCLGOCVRQBANO-AWEZNQCLSA-N 1 0 317.349 1.902 20 5 DDBDRO COc1cccc(C(=O)NCC[N@H+]2CC=C(C)CC2)c1[N+](=O)[O-] ZINC000444364088 230088953 /nfs/dbraw/zinc/08/89/53/230088953.db2.gz PGUSAPMAFGGNKQ-UHFFFAOYSA-N 1 0 319.361 1.985 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@H](CC(F)(F)F)C2)c1 ZINC000444697970 230124265 /nfs/dbraw/zinc/12/42/65/230124265.db2.gz RIFCAGAKKRDMMC-MWLCHTKSSA-N 1 0 322.287 1.427 20 5 DDBDRO CO[C@@H]1C[C@H]([NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000451497519 420602313 /nfs/dbraw/zinc/60/23/13/420602313.db2.gz MTFPVWVGBVVIKQ-UONOGXRCSA-N 1 0 321.377 1.961 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[N@H+]2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)n1 ZINC000451345392 420597125 /nfs/dbraw/zinc/59/71/25/420597125.db2.gz QROGHMBOQHWSSC-MCIONIFRSA-N 1 0 308.382 1.807 20 5 DDBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCC[C@H]1O ZINC000453405096 420724757 /nfs/dbraw/zinc/72/47/57/420724757.db2.gz IZRBGZGWHDPZDB-LERXQTSPSA-N 1 0 307.350 1.815 20 5 DDBDRO COC[C@H](CCO)[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447543164 420780355 /nfs/dbraw/zinc/78/03/55/420780355.db2.gz REDOMVRZCDVRCW-YNEHKIRRSA-N 1 0 312.370 1.262 20 5 DDBDRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)/C=C/c3ccc(F)cc3[N+](=O)[O-])C[C@H]12 ZINC000493405310 420840155 /nfs/dbraw/zinc/84/01/55/420840155.db2.gz UIUPXCCWUPJWHH-MCGPQNIMSA-N 1 0 319.336 1.943 20 5 DDBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000493527126 420873206 /nfs/dbraw/zinc/87/32/06/420873206.db2.gz RJIGPJNYNXVWRJ-GZTQLTBSSA-N 1 0 301.346 1.961 20 5 DDBDRO COC(=O)COC[C@@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000449130746 420955805 /nfs/dbraw/zinc/95/58/05/420955805.db2.gz HPHMNOXEFRECHY-SNVBAGLBSA-N 1 0 312.322 1.271 20 5 DDBDRO [NH3+][C@H]1CCC[C@@H](CNC(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000449648784 421043798 /nfs/dbraw/zinc/04/37/98/421043798.db2.gz REXDRRRAHKUWDE-NEPJUHHUSA-N 1 0 306.366 1.640 20 5 DDBDRO CNc1nc(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000455769009 421059502 /nfs/dbraw/zinc/05/95/02/421059502.db2.gz YJEWQDICMWXPSA-SNVBAGLBSA-N 1 0 307.354 1.198 20 5 DDBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])c(NC)n1 ZINC000455363205 421003454 /nfs/dbraw/zinc/00/34/54/421003454.db2.gz WXSMNQILTLCFPQ-SNVBAGLBSA-N 1 0 309.370 1.492 20 5 DDBDRO C[C@H](CCC[NH3+])NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000449569906 421028706 /nfs/dbraw/zinc/02/87/06/421028706.db2.gz FJINYQAQXBFLEX-SNVBAGLBSA-N 1 0 323.349 1.152 20 5 DDBDRO CCOCCN1CCN(c2ncc([N+](=O)[O-])c(C)n2)C[C@@H]1C ZINC000450311681 421180325 /nfs/dbraw/zinc/18/03/25/421180325.db2.gz IXYXKWABQIHZCK-NSHDSACASA-N 1 0 309.370 1.240 20 5 DDBDRO C[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])s1)C[NH+](C)C ZINC000490036326 421185754 /nfs/dbraw/zinc/18/57/54/421185754.db2.gz GTDUOEOZLLLKGO-QMMMGPOBSA-N 1 0 307.397 1.132 20 5 DDBDRO CCc1nn(C)c(NC[C@@H]2CCC[N@@H+]2CCCO)c1[N+](=O)[O-] ZINC000450601234 421216584 /nfs/dbraw/zinc/21/65/84/421216584.db2.gz YCBRQJDFWANUKT-NSHDSACASA-N 1 0 311.386 1.149 20 5 DDBDRO CC[N@H+](CCNc1ncc([N+](=O)[O-])c(C)n1)CCC(F)(F)F ZINC000450487082 421202531 /nfs/dbraw/zinc/20/25/31/421202531.db2.gz MNZQSBQNAZLYOO-UHFFFAOYSA-N 1 0 321.303 2.379 20 5 DDBDRO C[C@]1(CO)CCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000546104469 421284363 /nfs/dbraw/zinc/28/43/63/421284363.db2.gz KHFGXGRUUMSMHX-DZGCQCFKSA-N 1 0 310.350 1.181 20 5 DDBDRO CC[C@H]1C[N@H+](C)CCN1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000560615616 421284520 /nfs/dbraw/zinc/28/45/20/421284520.db2.gz NXVNJBUIVGWGDY-AWEZNQCLSA-N 1 0 321.377 1.987 20 5 DDBDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC000547756410 421363843 /nfs/dbraw/zinc/36/38/43/421363843.db2.gz NXUNFNWRTOLOIB-SNVBAGLBSA-N 1 0 309.370 1.558 20 5 DDBDRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000562797024 421413726 /nfs/dbraw/zinc/41/37/26/421413726.db2.gz PJSINXHAFDTHIH-AAEUAGOBSA-N 1 0 306.366 1.864 20 5 DDBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1ccnc(NC)c1[N+](=O)[O-] ZINC000566453213 421605095 /nfs/dbraw/zinc/60/50/95/421605095.db2.gz VCABHULQHQWGSK-LLVKDONJSA-N 1 0 323.397 1.882 20 5 DDBDRO COc1ccc(CC(=O)N2CCC[C@@H]2C[NH+](C)C)cc1[N+](=O)[O-] ZINC000532301079 421654128 /nfs/dbraw/zinc/65/41/28/421654128.db2.gz XIAZERHJOLOSKI-CYBMUJFWSA-N 1 0 321.377 1.699 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@H](CO)C1CCCCC1 ZINC000542913588 421832457 /nfs/dbraw/zinc/83/24/57/421832457.db2.gz NYCQHZKIVSSHSJ-CQSZACIVSA-N 1 0 309.366 1.287 20 5 DDBDRO CC[C@H](C)[NH+]1CCN(C(=O)c2ccnc(NC)c2[N+](=O)[O-])CC1 ZINC000574100783 422063957 /nfs/dbraw/zinc/06/39/57/422063957.db2.gz ZVXCNRHEJHZICC-NSHDSACASA-N 1 0 321.381 1.588 20 5 DDBDRO CCc1ncc(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])o1 ZINC000574033614 422053375 /nfs/dbraw/zinc/05/33/75/422053375.db2.gz PQQHLPJDAKEPRH-LLVKDONJSA-N 1 0 321.333 1.675 20 5 DDBDRO COC1(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCC1 ZINC000582177123 422124008 /nfs/dbraw/zinc/12/40/08/422124008.db2.gz BMRHLMCFSRSEOB-CYBMUJFWSA-N 1 0 310.350 1.493 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CC1(C(F)F)CC1 ZINC000574566665 422132578 /nfs/dbraw/zinc/13/25/78/422132578.db2.gz SEMBHBFMIZFVQR-JTQLQIEISA-N 1 0 316.304 1.969 20 5 DDBDRO O=[N+]([O-])c1ccccc1CN1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000574879680 422201385 /nfs/dbraw/zinc/20/13/85/422201385.db2.gz HSLKVTDSMAUEGJ-UHFFFAOYSA-N 1 0 319.405 1.921 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)n1 ZINC000584089902 422254115 /nfs/dbraw/zinc/25/41/15/422254115.db2.gz VIGMWIAEKHPEGA-LLVKDONJSA-N 1 0 309.370 1.271 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000577721619 422412214 /nfs/dbraw/zinc/41/22/14/422412214.db2.gz VSCQZTXEYUUGEJ-PKFCDNJMSA-N 1 0 307.350 1.720 20 5 DDBDRO CCOCC[C@H](O)C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000579228184 422728317 /nfs/dbraw/zinc/72/83/17/422728317.db2.gz CFEOJQVHIMYLMD-NSHDSACASA-N 1 0 308.338 1.348 20 5 DDBDRO C[NH2+][C@@H]1CCCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000578891439 422669009 /nfs/dbraw/zinc/66/90/09/422669009.db2.gz BHUZBKXZRPFNFH-SECBINFHSA-N 1 0 307.306 1.148 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000320832277 271027031 /nfs/dbraw/zinc/02/70/31/271027031.db2.gz GDZGUFNPYKKVQI-BETUJISGSA-N 1 0 303.362 1.975 20 5 DDBDRO C[C@@H](CS(C)(=O)=O)[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000341682236 271167811 /nfs/dbraw/zinc/16/78/11/271167811.db2.gz IEOMAECYFJPBAJ-LBPRGKRZSA-N 1 0 314.407 1.940 20 5 DDBDRO C[C@H](C[NH+](C)C)NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000344873998 272134294 /nfs/dbraw/zinc/13/42/94/272134294.db2.gz BJBXNMZVRDTLQN-LLVKDONJSA-N 1 0 315.395 1.007 20 5 DDBDRO O=[N+]([O-])c1cccc2ncnc(N3CC[NH+](CCCO)CC3)c21 ZINC000347401931 272682974 /nfs/dbraw/zinc/68/29/74/272682974.db2.gz DPOWIKQHSOEELJ-UHFFFAOYSA-N 1 0 317.349 1.042 20 5 DDBDRO O=[N+]([O-])c1cccc2ncnc(N3CC[C@@H]([NH+]4CC=CC4)C3)c21 ZINC000347403042 272684055 /nfs/dbraw/zinc/68/40/55/272684055.db2.gz HYEADBHZLJTZLY-GFCCVEGCSA-N 1 0 311.345 1.989 20 5 DDBDRO CO[C@H]1C[C@H]([N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)C12CCC2 ZINC000451864616 274084534 /nfs/dbraw/zinc/08/45/34/274084534.db2.gz ZXEVRKUAACTEAM-KBPBESRZSA-N 1 0 321.377 1.646 20 5 DDBDRO CC(C)(C)[C@H]([NH3+])C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000236683490 275530305 /nfs/dbraw/zinc/53/03/05/275530305.db2.gz YOYPJRQIDSYVMR-GXFFZTMASA-N 1 0 321.381 1.376 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)N[C@H]2CC[C@@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000330580618 275722920 /nfs/dbraw/zinc/72/29/20/275722920.db2.gz IRCGZNFWPUHIGG-VHSXEESVSA-N 1 0 309.370 1.654 20 5 DDBDRO CC[NH2+][C@H](C)CNS(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000262759892 276270609 /nfs/dbraw/zinc/27/06/09/276270609.db2.gz JCCNPSZCAQWURQ-LLVKDONJSA-N 1 0 315.395 1.488 20 5 DDBDRO CCOC(=O)c1ccnc(N2CCC[N@H+](C)CC2)c1[N+](=O)[O-] ZINC000133123390 276300489 /nfs/dbraw/zinc/30/04/89/276300489.db2.gz LUQPDJMLIPUTLU-UHFFFAOYSA-N 1 0 308.338 1.308 20 5 DDBDRO C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000331426533 277076127 /nfs/dbraw/zinc/07/61/27/277076127.db2.gz XZWAFRJLCNNKKW-YPMHNXCESA-N 1 0 319.365 1.097 20 5 DDBDRO COC(=O)[C@@H]1CCCCC[C@@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000162518431 277082609 /nfs/dbraw/zinc/08/26/09/277082609.db2.gz RLECCQOWKHTXKU-NEPJUHHUSA-N 1 0 310.354 1.503 20 5 DDBDRO CS(=O)(=O)CC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000414565881 278104693 /nfs/dbraw/zinc/10/46/93/278104693.db2.gz ZJWPLATYNSXVFR-UHFFFAOYSA-N 1 0 312.391 1.899 20 5 DDBDRO C[C@H](CNC(=O)c1c(N)cccc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000180676282 278207271 /nfs/dbraw/zinc/20/72/71/278207271.db2.gz HPEKIOVYHHOMFJ-LLVKDONJSA-N 1 0 306.366 1.639 20 5 DDBDRO C[C@@H](CN1CCOCC1)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000338350925 278262833 /nfs/dbraw/zinc/26/28/33/278262833.db2.gz QOEIPPCGBKQGSS-AWEZNQCLSA-N 1 0 307.394 1.790 20 5 DDBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CO)c1ccnn1C ZINC000459694557 279274884 /nfs/dbraw/zinc/27/48/84/279274884.db2.gz ABFONGYPVNWSJM-OCCSQVGLSA-N 1 0 318.377 1.973 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)CCC[NH+](C)C ZINC000120983202 281129555 /nfs/dbraw/zinc/12/95/55/281129555.db2.gz UVFGXVDKYNZGHS-UHFFFAOYSA-N 1 0 322.365 1.252 20 5 DDBDRO [NH3+]C1CCC(NS(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000123541552 281173252 /nfs/dbraw/zinc/17/32/52/281173252.db2.gz WHGYQUHAMDLZIO-UHFFFAOYSA-N 1 0 305.381 1.205 20 5 DDBDRO CC1CC[NH+](CCNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC1 ZINC000125691880 281213335 /nfs/dbraw/zinc/21/33/35/281213335.db2.gz NDQBXOAHYXZUEP-UHFFFAOYSA-N 1 0 308.338 1.157 20 5 DDBDRO Cc1c(CC(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000186905332 281850742 /nfs/dbraw/zinc/85/07/42/281850742.db2.gz WOASLLYZPFIJNQ-BFHYXJOUSA-N 1 0 303.362 1.641 20 5 DDBDRO COc1cccc(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)c1[N+](=O)[O-] ZINC000248837348 295286979 /nfs/dbraw/zinc/28/69/79/295286979.db2.gz OQQUABFCAZSULY-NEPJUHHUSA-N 1 0 319.361 1.912 20 5 DDBDRO [NH3+][C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000021013459 295302595 /nfs/dbraw/zinc/30/25/95/295302595.db2.gz CXSFDMGQIPKGBK-SECBINFHSA-N 1 0 319.770 1.360 20 5 DDBDRO COc1ccc(C(=O)N2CC[C@H]3CC[N@H+](C)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000362287193 300044616 /nfs/dbraw/zinc/04/46/16/300044616.db2.gz OKAYVEIMXGJVHB-BXUZGUMPSA-N 1 0 319.361 1.770 20 5 DDBDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H]1C[C@@H]1[N+](=O)[O-] ZINC000363050832 300203903 /nfs/dbraw/zinc/20/39/03/300203903.db2.gz NMAYFIITZFOZCJ-JYJNAYRXSA-N 1 0 317.389 1.632 20 5 DDBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000363904169 300323626 /nfs/dbraw/zinc/32/36/26/300323626.db2.gz LBUQBWLFSCICAU-GWCFXTLKSA-N 1 0 319.365 1.128 20 5 DDBDRO C[NH+]1CCC(N(Cc2ccco2)C(=O)[C@H]2C[C@@H]2[N+](=O)[O-])CC1 ZINC000364457665 300399925 /nfs/dbraw/zinc/39/99/25/300399925.db2.gz ORULYDCSLJEWTM-KBPBESRZSA-N 1 0 307.350 1.368 20 5 DDBDRO Cc1cc(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])c(=O)[nH]1 ZINC000367399391 300842787 /nfs/dbraw/zinc/84/27/87/300842787.db2.gz PGLVCVIRGLYACH-LLVKDONJSA-N 1 0 320.349 1.314 20 5 DDBDRO CCO[C@H]1C[C@H]([NH2+]Cc2c([N+](=O)[O-])ncn2C)C12CCOCC2 ZINC000367566893 300859633 /nfs/dbraw/zinc/85/96/33/300859633.db2.gz SYVJPBYBMCAYBT-STQMWFEESA-N 1 0 324.381 1.392 20 5 DDBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000367839366 300894879 /nfs/dbraw/zinc/89/48/79/300894879.db2.gz AMSJYLOTNJUMMD-ZYHUDNBSSA-N 1 0 319.365 1.271 20 5 DDBDRO Cc1c(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)cccc1[N+](=O)[O-] ZINC000368976269 301115316 /nfs/dbraw/zinc/11/53/16/301115316.db2.gz VGECAVZOBQBKCJ-KCQAQPDRSA-N 1 0 303.362 1.989 20 5 DDBDRO CC[C@@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)C[C@@]2(CCOC2)O1 ZINC000369546956 301196506 /nfs/dbraw/zinc/19/65/06/301196506.db2.gz RCXPJEHGLQOKPW-TZMCWYRMSA-N 1 0 310.354 1.061 20 5 DDBDRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)[C@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000369709208 301215081 /nfs/dbraw/zinc/21/50/81/301215081.db2.gz CHJBGEOSVBZVHU-QLFBSQMISA-N 1 0 303.362 1.385 20 5 DDBDRO CCCC[C@@H](C[NH3+])NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000575803542 304734169 /nfs/dbraw/zinc/73/41/69/304734169.db2.gz RUKCCRLDQXFBMF-VIFPVBQESA-N 1 0 309.322 1.571 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H]2CC[N@H+](C)[C@@H]2C1 ZINC000370445623 301340650 /nfs/dbraw/zinc/34/06/50/301340650.db2.gz WHMUTWSFPFXMPS-BXUZGUMPSA-N 1 0 319.361 1.770 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000261653434 302045990 /nfs/dbraw/zinc/04/59/90/302045990.db2.gz JWTHHKIAMXQDIP-CYBMUJFWSA-N 1 0 313.379 1.263 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCCC3(CCOCC3)C2)c1 ZINC000376223750 302052026 /nfs/dbraw/zinc/05/20/26/302052026.db2.gz CEEJUERDDHHJCC-AWEZNQCLSA-N 1 0 324.381 1.045 20 5 DDBDRO CC1CCC([NH+]2CCC(NC(=O)[C@@H]3C[C@@H]3[N+](=O)[O-])CC2)CC1 ZINC000363673365 307033008 /nfs/dbraw/zinc/03/30/08/307033008.db2.gz CBDKHKHILKBMRE-AXVKAWJUSA-N 1 0 309.410 1.811 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N(CCC[NH3+])CC1CCCC1 ZINC000357359406 306878446 /nfs/dbraw/zinc/87/84/46/306878446.db2.gz BSZMWFIXZPMMEW-UHFFFAOYSA-N 1 0 323.397 1.467 20 5 DDBDRO CC[NH+]1CCC(CCNC(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000531888623 303263834 /nfs/dbraw/zinc/26/38/34/303263834.db2.gz LUFNHPWHQXWEMO-UHFFFAOYSA-N 1 0 306.366 1.842 20 5 DDBDRO C[NH+](C)CC1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000357630860 306900578 /nfs/dbraw/zinc/90/05/78/306900578.db2.gz SRUZOIYTBIQKCK-UHFFFAOYSA-N 1 0 320.393 1.807 20 5 DDBDRO COc1ccccc1[C@@H](CO)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000541054325 303417353 /nfs/dbraw/zinc/41/73/53/303417353.db2.gz SEUOAKSEYVAPGO-CYBMUJFWSA-N 1 0 306.322 1.123 20 5 DDBDRO [NH3+]C[C@H]1CCCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000428622999 303422752 /nfs/dbraw/zinc/42/27/52/303422752.db2.gz RTGIXRLEZJWWKH-SNVBAGLBSA-N 1 0 321.333 1.177 20 5 DDBDRO Cc1ccc(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)cn1 ZINC000558732638 303781821 /nfs/dbraw/zinc/78/18/21/303781821.db2.gz XGKUBYYFTJYSGE-OAHLLOKOSA-N 1 0 317.345 1.828 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000366633684 307078143 /nfs/dbraw/zinc/07/81/43/307078143.db2.gz CKYCFGSEKRTCIW-GXTWGEPZSA-N 1 0 319.409 1.777 20 5 DDBDRO CN(C(=O)CNc1ccccc1[N+](=O)[O-])[C@H]1CCC[NH2+]CC1 ZINC000369747781 307127808 /nfs/dbraw/zinc/12/78/08/307127808.db2.gz CAKMAZRHFNJHIG-LBPRGKRZSA-N 1 0 306.366 1.607 20 5 DDBDRO O=C1CC[C@H]([NH2+]CCOc2ccccc2[N+](=O)[O-])[C@@H](C2CC2)N1 ZINC000375336843 307223012 /nfs/dbraw/zinc/22/30/12/307223012.db2.gz KHZNEHUTKJQRLA-BLLLJJGKSA-N 1 0 319.361 1.620 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)n1 ZINC000427252857 307302857 /nfs/dbraw/zinc/30/28/57/307302857.db2.gz ZBACYSYQQBXXMY-VXGBXAGGSA-N 1 0 323.397 1.804 20 5 DDBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@@H](O)COCC1CC1 ZINC000563416475 307969521 /nfs/dbraw/zinc/96/95/21/307969521.db2.gz FZRTYOOBPYNCCC-IUODEOHRSA-N 1 0 306.362 1.959 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CC[C@@H]1CCCCO1 ZINC000564202948 307993907 /nfs/dbraw/zinc/99/39/07/307993907.db2.gz IJAIDVIYZWDTNJ-KBPBESRZSA-N 1 0 324.377 1.883 20 5 DDBDRO CC1(C)SC[C@@H]1[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000566129665 308045604 /nfs/dbraw/zinc/04/56/04/308045604.db2.gz HEYVOHIOTPECFN-GWCFXTLKSA-N 1 0 312.391 1.818 20 5 DDBDRO CSCCC[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000567691481 308090763 /nfs/dbraw/zinc/09/07/63/308090763.db2.gz YFAMEXVHLGDAAA-LBPRGKRZSA-N 1 0 300.380 1.677 20 5 DDBDRO CC[C@H](CC(F)(F)F)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000570794847 308179838 /nfs/dbraw/zinc/17/98/38/308179838.db2.gz DMZDAQCXLDUDJE-PSASIEDQSA-N 1 0 310.276 1.473 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CC1=CCCOC1 ZINC000570836158 308181933 /nfs/dbraw/zinc/18/19/33/308181933.db2.gz BWIJSXYFWSNWHN-CYBMUJFWSA-N 1 0 308.334 1.271 20 5 DDBDRO CC[C@@H]1C[C@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000572149684 308213255 /nfs/dbraw/zinc/21/32/55/308213255.db2.gz OTQAJVGAFSSZMN-BPLDGKMQSA-N 1 0 324.377 1.882 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)n1 ZINC000576686348 308331953 /nfs/dbraw/zinc/33/19/53/308331953.db2.gz KZOPGTSBJZXLKC-MWLCHTKSSA-N 1 0 307.354 1.024 20 5 DDBDRO COc1ccc([C@@H](C[NH3+])Cn2cc([N+](=O)[O-])cc(F)c2=O)cc1 ZINC000577059795 308359600 /nfs/dbraw/zinc/35/96/00/308359600.db2.gz FKIGSAAIYUZJPN-NSHDSACASA-N 1 0 321.308 1.647 20 5 DDBDRO CC1(C)C(=O)N[C@H]1C1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000577072842 308361146 /nfs/dbraw/zinc/36/11/46/308361146.db2.gz CVTMNIXXFVFXQE-ZDUSSCGKSA-N 1 0 321.381 1.028 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H](C)[C@H](C)[NH3+])cc1C ZINC000381427559 325741888 /nfs/dbraw/zinc/74/18/88/325741888.db2.gz BWOJGLJRNQZPSZ-VHSXEESVSA-N 1 0 301.368 1.226 20 5 DDBDRO C[C@H](C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)N(C)C1CC1 ZINC000581809521 325916043 /nfs/dbraw/zinc/91/60/43/325916043.db2.gz MIRCCKBIZRWSJD-DOMZBBRYSA-N 1 0 323.393 1.407 20 5 DDBDRO COCC[NH2+]C1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000584056484 331655607 /nfs/dbraw/zinc/65/56/07/331655607.db2.gz SAUJXZBPEYSXTG-UHFFFAOYSA-N 1 0 309.366 1.808 20 5 DDBDRO O=c1[nH]cnc2cc(NCC[N@H+]3CC=CCC3)c([N+](=O)[O-])cc21 ZINC000392830332 337066333 /nfs/dbraw/zinc/06/63/33/337066333.db2.gz OMRJVNHONIWFEQ-UHFFFAOYSA-N 1 0 315.333 1.917 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@]2(C)CC[NH2+]C2)c1C ZINC000230735290 484168889 /nfs/dbraw/zinc/16/88/89/484168889.db2.gz AONTVEHTSKCMNW-CYBMUJFWSA-N 1 0 313.379 1.242 20 5 DDBDRO CC(C)(C(=O)N1CC[N@@H+]2CC[C@H]1C2)c1ccc([N+](=O)[O-])cc1 ZINC000597708734 490378315 /nfs/dbraw/zinc/37/83/15/490378315.db2.gz QFYPVVOBKLZYQK-AWEZNQCLSA-N 1 0 303.362 1.789 20 5 DDBDRO COc1cc(CN2CC[C@H]([NH3+])C2)c([N+](=O)[O-])cc1OC(F)F ZINC000430934887 533821435 /nfs/dbraw/zinc/82/14/35/533821435.db2.gz RDFHCOOUCHDYGV-VIFPVBQESA-N 1 0 317.292 1.738 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H]1CCOC[C@@H]1C ZINC000433179288 534339842 /nfs/dbraw/zinc/33/98/42/534339842.db2.gz WEUKLLXZUAUHFM-WCQYABFASA-N 1 0 307.350 1.856 20 5 DDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000449688308 534702423 /nfs/dbraw/zinc/70/24/23/534702423.db2.gz GDXUHBLMZBLQMT-CABCVRRESA-N 1 0 317.389 1.985 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000159360794 525455771 /nfs/dbraw/zinc/45/57/71/525455771.db2.gz ARTANICIKSIBLL-HNNXBMFYSA-N 1 0 305.334 1.429 20 5 DDBDRO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000452343613 528313563 /nfs/dbraw/zinc/31/35/63/528313563.db2.gz LQUMMNZROANWMP-NSHDSACASA-N 1 0 309.370 1.558 20 5 DDBDRO CCCc1n[nH]c(C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)c1[N+](=O)[O-] ZINC000430694964 528548502 /nfs/dbraw/zinc/54/85/02/528548502.db2.gz FYIYOHSPXRHGLN-NSHDSACASA-N 1 0 323.397 1.778 20 5 DDBDRO Cc1ccc([C@H](C)[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)s1 ZINC000049182738 696221844 /nfs/dbraw/zinc/22/18/44/696221844.db2.gz AGSATYMMKNHGFU-JQWIXIFHSA-N 1 0 310.379 1.873 20 5 DDBDRO [NH3+][C@@H](CC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)C1CC1 ZINC000123958527 696736887 /nfs/dbraw/zinc/73/68/87/696736887.db2.gz YVPVURPXTPBHQT-ZDUSSCGKSA-N 1 0 318.377 1.371 20 5 DDBDRO C[C@H]1CN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000157645915 696980114 /nfs/dbraw/zinc/98/01/14/696980114.db2.gz XRRXVRVZBCUBGY-WPRPVWTQSA-N 1 0 317.342 1.092 20 5 DDBDRO O=[N+]([O-])c1cnn(CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000157987871 696984958 /nfs/dbraw/zinc/98/49/58/696984958.db2.gz OVAIUKVHOSXOKK-DOMZBBRYSA-N 1 0 305.382 1.698 20 5 DDBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](CO)C1CC1 ZINC000772986144 697701086 /nfs/dbraw/zinc/70/10/86/697701086.db2.gz AISFMWYJJZAJBT-IINYFYTJSA-N 1 0 307.350 1.672 20 5 DDBDRO CCc1ccc(C(=O)NOC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000773550360 697778840 /nfs/dbraw/zinc/77/88/40/697778840.db2.gz DCNOZGLVENNIDW-UHFFFAOYSA-N 1 0 307.350 1.913 20 5 DDBDRO COCC[C@@]1([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CCOC1 ZINC000773947162 697826304 /nfs/dbraw/zinc/82/63/04/697826304.db2.gz DIZPCSYFLFRVKR-LSDHHAIUSA-N 1 0 310.350 1.413 20 5 DDBDRO CC(C)(O)C[NH+]1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776581891 698121022 /nfs/dbraw/zinc/12/10/22/698121022.db2.gz OJPNDULNJHPIQI-HNNXBMFYSA-N 1 0 323.393 1.017 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCC[C@@H](OCCO)C2)cc1 ZINC000776585043 698122166 /nfs/dbraw/zinc/12/21/66/698122166.db2.gz RQPJJGMQMHEHPO-CABCVRRESA-N 1 0 310.350 1.102 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(N2CC[NH+](CCCCO)CC2)c1 ZINC000750182567 700208721 /nfs/dbraw/zinc/20/87/21/700208721.db2.gz VKPYZJKAVBAABH-UHFFFAOYSA-N 1 0 309.366 1.498 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H](CO)C2CCOCC2)cc1 ZINC000782530376 698734804 /nfs/dbraw/zinc/73/48/04/698734804.db2.gz UWXWQKMJOIAMAU-LSDHHAIUSA-N 1 0 310.350 1.005 20 5 DDBDRO O=[N+]([O-])c1ccc(C[NH2+]C2(CO)CCOCC2)cc1Cl ZINC000783625648 698861088 /nfs/dbraw/zinc/86/10/88/698861088.db2.gz AVIBIHVLTUUZJR-UHFFFAOYSA-N 1 0 300.742 1.879 20 5 DDBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000786988476 699184883 /nfs/dbraw/zinc/18/48/83/699184883.db2.gz LINYOQIZYKIHOA-NSHDSACASA-N 1 0 306.366 1.781 20 5 DDBDRO C[C@@H]([NH2+]C[C@H]1CCS(=O)(=O)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788689486 699334558 /nfs/dbraw/zinc/33/45/58/699334558.db2.gz HFZMKHQUPZNRJD-NXEZZACHSA-N 1 0 313.379 1.262 20 5 DDBDRO O=[N+]([O-])c1cc(C[NH2+][C@H](CCO)C2CC2)c2c(c1)COCO2 ZINC000741258980 699825717 /nfs/dbraw/zinc/82/57/17/699825717.db2.gz UDWBNAFZXWOTAZ-CQSZACIVSA-N 1 0 308.334 1.712 20 5 DDBDRO C[N@H+]1C[C@H]2[C@@H](CCN2Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000794927327 699836369 /nfs/dbraw/zinc/83/63/69/699836369.db2.gz FLOBUBRMYNCKKV-FZMZJTMJSA-N 1 0 306.322 1.639 20 5 DDBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(C(=O)NCCO)CC1 ZINC000743840751 699928174 /nfs/dbraw/zinc/92/81/74/699928174.db2.gz KXAWTBOBHQKAQV-LBPRGKRZSA-N 1 0 321.377 1.476 20 5 DDBDRO C[NH+](C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])c(F)cc1N)C1CC1 ZINC000801827161 700342686 /nfs/dbraw/zinc/34/26/86/700342686.db2.gz VUXOTYDHXHJZCL-ZDUSSCGKSA-N 1 0 310.329 1.386 20 5 DDBDRO CC(C)[N@@H+]1CCO[C@@H](COC(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000802138250 700371317 /nfs/dbraw/zinc/37/13/17/700371317.db2.gz CRZVQUCRFXPMLO-LLVKDONJSA-N 1 0 311.338 1.199 20 5 DDBDRO C[NH+](C)C[C@@](C)(O)CNc1ccc([N+](=O)[O-])cc1OC(F)F ZINC000760569249 700814449 /nfs/dbraw/zinc/81/44/49/700814449.db2.gz FFAVMWOOHIYZSH-ZDUSSCGKSA-N 1 0 319.308 1.921 20 5 DDBDRO CC(C)[N@@H+]1CCO[C@H](COC(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000763268527 700932551 /nfs/dbraw/zinc/93/25/51/700932551.db2.gz SXNFQVWGTYCFOX-LBPRGKRZSA-N 1 0 323.349 1.443 20 5 DDBDRO CC[N@H+](CCO)CCNC(=O)/C=C(/C)c1ccc([N+](=O)[O-])cc1 ZINC000769636149 701250940 /nfs/dbraw/zinc/25/09/40/701250940.db2.gz WYLPKMRAJDQSJQ-SEYXRHQNSA-N 1 0 321.377 1.429 20 5 DDBDRO CC[NH+](CC)CCOC(=O)CCn1nc(C)c([N+](=O)[O-])c1C ZINC000772074396 701342765 /nfs/dbraw/zinc/34/27/65/701342765.db2.gz HCXLMYVORPNSJE-UHFFFAOYSA-N 1 0 312.370 1.683 20 5 DDBDRO CN(C)C(=O)[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000839636232 701762217 /nfs/dbraw/zinc/76/22/17/701762217.db2.gz PEMDUCYTWWANKD-LLVKDONJSA-N 1 0 322.321 1.413 20 5 DDBDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000839682854 701782706 /nfs/dbraw/zinc/78/27/06/701782706.db2.gz ANUWQWHOPWDAFT-BYNSBNAKSA-N 1 0 309.410 1.765 20 5 DDBDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839696697 701787786 /nfs/dbraw/zinc/78/77/86/701787786.db2.gz NMAYFIITZFOZCJ-BZUAXINKSA-N 1 0 317.389 1.632 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000868088449 701934374 /nfs/dbraw/zinc/93/43/74/701934374.db2.gz AXDNCFXKSBGNCE-WCQYABFASA-N 1 0 320.349 1.962 20 5 DDBDRO C[NH+]1CCC2(CCN(C(=O)c3ccc(N)c([N+](=O)[O-])c3)C2)CC1 ZINC000816644390 702133669 /nfs/dbraw/zinc/13/36/69/702133669.db2.gz LGXDMYPEXJTVSH-UHFFFAOYSA-N 1 0 318.377 1.735 20 5 DDBDRO Cc1ccnc(N2CCC([NH+]3CCN(C)CC3)CC2)c1[N+](=O)[O-] ZINC000866212121 706650518 /nfs/dbraw/zinc/65/05/18/706650518.db2.gz IJSUNLVEQXQIEA-UHFFFAOYSA-N 1 0 319.409 1.514 20 5 DDBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H]1CN(C)CCN1C ZINC000866264001 706661132 /nfs/dbraw/zinc/66/11/32/706661132.db2.gz JYHREPLNIGWUKK-SWLSCSKDSA-N 1 0 324.400 1.500 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](CO)[C@H]1CO ZINC000879364776 706662543 /nfs/dbraw/zinc/66/25/43/706662543.db2.gz PHWHTIKULZQXNL-GXTWGEPZSA-N 1 0 310.350 1.169 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000817993522 702546335 /nfs/dbraw/zinc/54/63/35/702546335.db2.gz LMAWZFMVXYPNEO-UHFFFAOYSA-N 1 0 306.366 1.485 20 5 DDBDRO Cc1cc(F)cc(C(=O)N2CCCO[C@@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC000818013188 702553884 /nfs/dbraw/zinc/55/38/84/702553884.db2.gz ZCEQIJNMTRCGLJ-NSHDSACASA-N 1 0 311.313 1.232 20 5 DDBDRO COc1cccc(C(=O)N(C)C2CCC([NH3+])CC2)c1[N+](=O)[O-] ZINC000818529736 702660763 /nfs/dbraw/zinc/66/07/63/702660763.db2.gz PHSKNXXIXUFTIY-UHFFFAOYSA-N 1 0 307.350 1.945 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@H](O)C2CCOCC2)c1 ZINC000843083992 702815895 /nfs/dbraw/zinc/81/58/95/702815895.db2.gz TXTMEMZKJWMKMU-LSDHHAIUSA-N 1 0 310.350 1.005 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(Cc2noc(C(C)(C)C[NH3+])n2)c1 ZINC000843223810 702845635 /nfs/dbraw/zinc/84/56/35/702845635.db2.gz VXEXALCZNKJPAC-UHFFFAOYSA-N 1 0 306.322 1.814 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)NC[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000843320820 702858991 /nfs/dbraw/zinc/85/89/91/702858991.db2.gz SKRYSIBKQGVSKY-JTQLQIEISA-N 1 0 322.321 1.541 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)NC2(C[NH3+])CCCC2)cc1[N+](=O)[O-] ZINC000843344002 702863040 /nfs/dbraw/zinc/86/30/40/702863040.db2.gz KKLZAKHSHKMCHV-UHFFFAOYSA-N 1 0 322.321 1.813 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CC[C@H]([NH3+])[C@@H]2C)cc1[N+](=O)[O-] ZINC000843480306 702890373 /nfs/dbraw/zinc/89/03/73/702890373.db2.gz HENNDGZIEYAJFH-WPRPVWTQSA-N 1 0 308.294 1.373 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@@]3(CC3(F)F)C2)c1 ZINC000844435304 703031262 /nfs/dbraw/zinc/03/12/62/703031262.db2.gz BWQDBZZCPDJUCQ-NWDGAFQWSA-N 1 0 316.308 1.273 20 5 DDBDRO C[N@@H+]1CC[C@H]2CN(CCOc3cccc([N+](=O)[O-])c3)CC[C@H]21 ZINC000879572792 706722912 /nfs/dbraw/zinc/72/29/12/706722912.db2.gz RIDSMFZWWURFQI-XJKSGUPXSA-N 1 0 305.378 2.000 20 5 DDBDRO C[C@H]([NH2+]C[C@]12COC(=O)N1CCOC2)c1ccc([N+](=O)[O-])cc1 ZINC000866519813 706719633 /nfs/dbraw/zinc/71/96/33/706719633.db2.gz WTBPJKOPTYDKGZ-NHYWBVRUSA-N 1 0 321.333 1.467 20 5 DDBDRO C[C@@H](C[NH+]1CCCC1)OC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000845669071 703188482 /nfs/dbraw/zinc/18/84/82/703188482.db2.gz GBLJBRPVNPARPN-JTQLQIEISA-N 1 0 322.317 1.965 20 5 DDBDRO CNc1nccc(C(=O)NC[C@H](C)[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000847367448 703408163 /nfs/dbraw/zinc/40/81/63/703408163.db2.gz LYJNJDWTWJJXDL-NSHDSACASA-N 1 0 321.381 1.636 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)OC[C@@H](C)[NH+]1CCCCC1 ZINC000847959759 703487378 /nfs/dbraw/zinc/48/73/78/703487378.db2.gz JONWGVYXOOMBKO-GFCCVEGCSA-N 1 0 324.381 1.907 20 5 DDBDRO Cc1ccc(C[NH2+]C[C@@H]2CN(C3CC3)C(=O)O2)cc1[N+](=O)[O-] ZINC000848579184 703564874 /nfs/dbraw/zinc/56/48/74/703564874.db2.gz XEWFKYXHUVXCOF-CYBMUJFWSA-N 1 0 305.334 1.976 20 5 DDBDRO CCO[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1NC)C[NH+](C)C ZINC000831731041 706764941 /nfs/dbraw/zinc/76/49/41/706764941.db2.gz KUANUFSGQQMAIB-NSHDSACASA-N 1 0 324.381 1.333 20 5 DDBDRO O=C1OCCN1[C@H]1CC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000852436485 704047983 /nfs/dbraw/zinc/04/79/83/704047983.db2.gz INPYGQXUUOINRZ-KBPBESRZSA-N 1 0 321.333 1.155 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CCOC2CCC2)c1 ZINC000819121337 704072233 /nfs/dbraw/zinc/07/22/33/704072233.db2.gz VWMBEKUWDLIYRM-CYBMUJFWSA-N 1 0 310.350 1.493 20 5 DDBDRO CCO[C@@H]1C[C@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@H]1OC ZINC000819226940 704090414 /nfs/dbraw/zinc/09/04/14/704090414.db2.gz MANXAJQGPYJHHC-GBJTYRQASA-N 1 0 310.350 1.410 20 5 DDBDRO Cn1c(C(=O)N2CC[C@](C[NH3+])(C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000870995512 704195711 /nfs/dbraw/zinc/19/57/11/704195711.db2.gz ONBXORZWXBHAGM-OAHLLOKOSA-N 1 0 308.382 1.770 20 5 DDBDRO COc1cc(N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)c([N+](=O)[O-])cc1C ZINC000853666483 704296147 /nfs/dbraw/zinc/29/61/47/704296147.db2.gz NCRQVYFMMQZOFD-BETUJISGSA-N 1 0 323.393 1.803 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@@H](C)[C@@H]1CN(C)CCO1 ZINC000821091295 704371187 /nfs/dbraw/zinc/37/11/87/704371187.db2.gz AQQQGTGLIQSUEJ-JSGCOSHPSA-N 1 0 321.377 1.661 20 5 DDBDRO CC(=O)N1C[C@@H]2C[N@@H+](CCOc3ccccc3[N+](=O)[O-])C[C@@H]2C1 ZINC000821323454 704390866 /nfs/dbraw/zinc/39/08/66/704390866.db2.gz YHXYZVMNILFFTL-OKILXGFUSA-N 1 0 319.361 1.384 20 5 DDBDRO C[C@@H](CCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[NH+](C)C ZINC000855411643 704483793 /nfs/dbraw/zinc/48/37/93/704483793.db2.gz QNQZVGIVBYFVAC-VIFPVBQESA-N 1 0 310.310 1.573 20 5 DDBDRO Cc1cc(F)cc(C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)c1[N+](=O)[O-] ZINC000857008312 704546888 /nfs/dbraw/zinc/54/68/88/704546888.db2.gz GQROKXJULFFJTH-ZUZCIYMTSA-N 1 0 307.325 1.996 20 5 DDBDRO C[C@H]([NH3+])CCNC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000857113710 704552637 /nfs/dbraw/zinc/55/26/37/704552637.db2.gz GRTZWCAHXSJHMZ-LBPRGKRZSA-N 1 0 321.381 1.164 20 5 DDBDRO Cc1nc([N+](=O)[O-])c(-c2noc(CC[C@H]3CCC[NH2+]C3)n2)n1C ZINC000857253319 704570328 /nfs/dbraw/zinc/57/03/28/704570328.db2.gz MZRJAYNQWHYGFI-SNVBAGLBSA-N 1 0 320.353 1.619 20 5 DDBDRO CC[C@@H]1[NH2+]CC[C@@H]1c1nc(Cc2ccc([N+](=O)[O-])cn2)no1 ZINC000822864047 705064093 /nfs/dbraw/zinc/06/40/93/705064093.db2.gz WWORJHYPBBAJCG-RYUDHWBXSA-N 1 0 303.322 1.819 20 5 DDBDRO C[NH+](C)C1(CNC(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC000822932074 705085287 /nfs/dbraw/zinc/08/52/87/705085287.db2.gz RIYNAAPMPJZSAJ-KBPBESRZSA-N 1 0 303.362 1.909 20 5 DDBDRO Cc1nc([N+](=O)[O-])c(-c2noc([C@H]3C[C@H](C)CC[NH2+]3)n2)n1C ZINC000823094631 705137746 /nfs/dbraw/zinc/13/77/46/705137746.db2.gz RTGBHTQVGBPBBX-VXNVDRBHSA-N 1 0 306.326 1.747 20 5 DDBDRO COCC[N@@H+]1CCC[C@@H](NC(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000823152737 705154019 /nfs/dbraw/zinc/15/40/19/705154019.db2.gz XDLHWFIIRJJQQB-GFCCVEGCSA-N 1 0 301.387 1.049 20 5 DDBDRO Cc1c(-c2noc(C[C@@H]3COCC[NH2+]3)n2)cccc1[N+](=O)[O-] ZINC000823270911 705190089 /nfs/dbraw/zinc/19/00/89/705190089.db2.gz XVZGAYVNVAJMFA-SNVBAGLBSA-N 1 0 304.306 1.484 20 5 DDBDRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000874845931 705200492 /nfs/dbraw/zinc/20/04/92/705200492.db2.gz YUROPSXLQFQSHA-HUUCEWRRSA-N 1 0 319.361 1.669 20 5 DDBDRO C[C@@H]1C[C@H](NC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000823987724 705350315 /nfs/dbraw/zinc/35/03/15/705350315.db2.gz QREMFNOKEWKNCH-MWLCHTKSSA-N 1 0 307.354 1.781 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000824369055 705437637 /nfs/dbraw/zinc/43/76/37/705437637.db2.gz VANYXIZMURAWIG-STQMWFEESA-N 1 0 321.381 1.233 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000824658085 705500848 /nfs/dbraw/zinc/50/08/48/705500848.db2.gz IHRIOANFWJBDNE-LBPRGKRZSA-N 1 0 323.397 1.336 20 5 DDBDRO CC[N@@H+]1CCC[C@H](CNC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000825505810 705683708 /nfs/dbraw/zinc/68/37/08/705683708.db2.gz WJPDOLFFQPLBBE-IUODEOHRSA-N 1 0 321.377 1.476 20 5 DDBDRO C[NH+](C)C[C@H]1CCN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000825915484 705745677 /nfs/dbraw/zinc/74/56/77/705745677.db2.gz QXQLBSPQLYJWMG-RISCZKNCSA-N 1 0 307.350 1.038 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)/C=C\[C@H]1CCC[NH2+]C1 ZINC000876611698 705783497 /nfs/dbraw/zinc/78/34/97/705783497.db2.gz OXGDCIUFPHPIBK-DJFZKKHWSA-N 1 0 319.361 1.775 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1CN1CC[NH+](C[C@@H](C)O)CC1 ZINC000876687781 705820523 /nfs/dbraw/zinc/82/05/23/705820523.db2.gz RYQCIKPSFHTOAZ-CYBMUJFWSA-N 1 0 307.394 1.710 20 5 DDBDRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)c1cc([N+](=O)[O-])ccc1F ZINC000826867946 705887629 /nfs/dbraw/zinc/88/76/29/705887629.db2.gz NOKKPJLUBYUDKS-LLVKDONJSA-N 1 0 307.325 1.948 20 5 DDBDRO CCOC(=O)C1=CC[C@@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000863577444 705962659 /nfs/dbraw/zinc/96/26/59/705962659.db2.gz ZBTLGTJIFMIDFQ-UKRRQHHQSA-N 1 0 320.345 1.870 20 5 DDBDRO COc1cccc(C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000827265996 705963495 /nfs/dbraw/zinc/96/34/95/705963495.db2.gz JKJMPYWRRUFQBX-AAEUAGOBSA-N 1 0 319.361 1.770 20 5 DDBDRO C[NH2+]CCN(C(C)C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000903587830 711211255 /nfs/dbraw/zinc/21/12/55/711211255.db2.gz BRSDXRJKMFTWPF-UHFFFAOYSA-N 1 0 315.395 1.522 20 5 DDBDRO Cc1nc([N+](=O)[O-])c(-c2noc([C@@H](F)[C@H]3CC[NH2+]C3)n2)n1C ZINC000863671787 705982872 /nfs/dbraw/zinc/98/28/72/705982872.db2.gz AFQLQUSWVXZXMR-YUMQZZPRSA-N 1 0 310.289 1.307 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000827358353 705985128 /nfs/dbraw/zinc/98/51/28/705985128.db2.gz XRYPVLAMQDANTA-FZMZJTMJSA-N 1 0 304.350 1.464 20 5 DDBDRO [NH3+][C@H]1C[C@@H](CNC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC000877242153 706030551 /nfs/dbraw/zinc/03/05/51/706030551.db2.gz FRSXZCFUYRVPAN-BJHJDKERSA-N 1 0 303.362 1.870 20 5 DDBDRO COc1cc(C(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)cc([N+](=O)[O-])c1C ZINC000877277771 706045719 /nfs/dbraw/zinc/04/57/19/706045719.db2.gz OSAGTEQFZHLKJZ-OLZOCXBDSA-N 1 0 319.361 1.878 20 5 DDBDRO COC[C@@H](O)C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872071221 707288005 /nfs/dbraw/zinc/28/80/05/707288005.db2.gz ZXMVTIIRXADMFQ-ONGXEEELSA-N 1 0 300.380 1.975 20 5 DDBDRO CO[C@@H]1COCC[C@@H]1C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877564217 706143633 /nfs/dbraw/zinc/14/36/33/706143633.db2.gz VPBNGBHOSIQEBM-MLCFOIATSA-N 1 0 310.354 1.136 20 5 DDBDRO CO[C@@H](C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)[C@H]1CCOC1 ZINC000877620954 706162212 /nfs/dbraw/zinc/16/22/12/706162212.db2.gz OAQQEAMGHKPWLV-BBCYWQGDSA-N 1 0 310.354 1.136 20 5 DDBDRO COC(=O)[C@@H]1OCC[C@@H]1C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000877723336 706190383 /nfs/dbraw/zinc/19/03/83/706190383.db2.gz ZMSZIEVQLNXUEO-TZMCWYRMSA-N 1 0 308.334 1.571 20 5 DDBDRO COc1ccc(C[NH+]2CCC3(CCNC3=O)CC2)cc1[N+](=O)[O-] ZINC000877782674 706209945 /nfs/dbraw/zinc/20/99/45/706209945.db2.gz IVYLFKUYHWMRMR-UHFFFAOYSA-N 1 0 319.361 1.706 20 5 DDBDRO C[C@@H]([NH2+][C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CC1(F)F ZINC000877830816 706226529 /nfs/dbraw/zinc/22/65/29/706226529.db2.gz LDQMVCNJEAUDBP-HUXSOILUSA-N 1 0 316.304 1.622 20 5 DDBDRO COc1cc(F)c([N+](=O)[O-])c(NCC[NH+]2CCC(O)CC2)c1 ZINC000829283013 706314107 /nfs/dbraw/zinc/31/41/07/706314107.db2.gz HJCRMXPKPCFCGB-UHFFFAOYSA-N 1 0 313.329 1.611 20 5 DDBDRO CC(C)[C@@H](O)CC[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000878694862 706471400 /nfs/dbraw/zinc/47/14/00/706471400.db2.gz BHAMQGCWWYTASB-AWEZNQCLSA-N 1 0 308.382 1.519 20 5 DDBDRO C[NH+](C)C[C@@]1(O)CCCN(Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000878868697 706520854 /nfs/dbraw/zinc/52/08/54/706520854.db2.gz UVJXIFCJOCRVCH-HNNXBMFYSA-N 1 0 311.357 1.622 20 5 DDBDRO C[C@@H]1[C@H](O)CC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000832226048 706875461 /nfs/dbraw/zinc/87/54/61/706875461.db2.gz SPKJLPROBRZLST-NOZJJQNGSA-N 1 0 311.313 1.518 20 5 DDBDRO CO[C@@H]1COCC[C@H]1[N@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000880433020 706974196 /nfs/dbraw/zinc/97/41/96/706974196.db2.gz SSEABQYWVCCHAV-QLFBSQMISA-N 1 0 310.350 1.364 20 5 DDBDRO C[C@@H]1CC[C@H](CO)[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000880444473 706978624 /nfs/dbraw/zinc/97/86/24/706978624.db2.gz TVZZITQGGWNCGF-VXGBXAGGSA-N 1 0 307.350 1.769 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC[C@H]1CNC(=O)C1 ZINC000926981742 712926425 /nfs/dbraw/zinc/92/64/25/712926425.db2.gz VKNSBDMXGQFSHG-WDEREUQCSA-N 1 0 307.350 1.780 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000871673826 707164283 /nfs/dbraw/zinc/16/42/83/707164283.db2.gz OTGOLFWAGGOEOH-IONNQARKSA-N 1 0 320.271 1.143 20 5 DDBDRO C[C@H]([NH2+]C[C@@H]1CCS(=O)(=O)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872019337 707281574 /nfs/dbraw/zinc/28/15/74/707281574.db2.gz WBXPFASTVMMYIX-UWVGGRQHSA-N 1 0 316.354 1.819 20 5 DDBDRO C[C@H]([NH2+]CCC1CS(=O)(=O)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872064706 707287166 /nfs/dbraw/zinc/28/71/66/707287166.db2.gz KFLCZQJRDIZYKY-VIFPVBQESA-N 1 0 316.354 1.819 20 5 DDBDRO Cc1ccc(C[NH2+]C[C@@H](O)C[C@](C)(O)C2CC2)cc1[N+](=O)[O-] ZINC000872231536 707340585 /nfs/dbraw/zinc/34/05/85/707340585.db2.gz MKLLOCLYPHDGLS-HOCLYGCPSA-N 1 0 308.378 1.905 20 5 DDBDRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000836944583 707552301 /nfs/dbraw/zinc/55/23/01/707552301.db2.gz BAIFWSWFUAMCEW-UKRRQHHQSA-N 1 0 321.377 1.571 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(Cn3ncc4cc([N+](=O)[O-])ccc43)CC[C@@H]21 ZINC000872725087 707573458 /nfs/dbraw/zinc/57/34/58/707573458.db2.gz ORLJVDWTQBFOKT-DOMZBBRYSA-N 1 0 315.377 1.928 20 5 DDBDRO O=[N+]([O-])c1c(F)nccc1N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000882449715 707638487 /nfs/dbraw/zinc/63/84/87/707638487.db2.gz YHTOKCBFACBWBR-UHFFFAOYSA-N 1 0 324.356 1.820 20 5 DDBDRO CCN1CC[C@@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000882766715 707782892 /nfs/dbraw/zinc/78/28/92/707782892.db2.gz OUYFGCWXQUEIIH-SNVBAGLBSA-N 1 0 317.342 1.106 20 5 DDBDRO COC[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCOC1 ZINC000883186846 707950820 /nfs/dbraw/zinc/95/08/20/707950820.db2.gz AJNPTKKHCMMOQD-CWRNSKLLSA-N 1 0 324.377 1.659 20 5 DDBDRO CC1(C)O[C@@H]2C[C@@H]([NH2+]C3CC(n4cc([N+](=O)[O-])cn4)C3)C[C@@H]2O1 ZINC000897051512 708216093 /nfs/dbraw/zinc/21/60/93/708216093.db2.gz YBQTURGGRRADDA-XAWSGLGUSA-N 1 0 322.365 1.767 20 5 DDBDRO C[N@H+](CCO)CCNc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000884824927 708388511 /nfs/dbraw/zinc/38/85/11/708388511.db2.gz WEBSMVQTJHFXIF-UHFFFAOYSA-N 1 0 305.281 1.532 20 5 DDBDRO C[NH+](C)CCC[C@H]1CN(Cc2cccnc2[N+](=O)[O-])CCO1 ZINC000886288544 708736130 /nfs/dbraw/zinc/73/61/30/708736130.db2.gz BIVSDOQBPQUKKN-AWEZNQCLSA-N 1 0 308.382 1.532 20 5 DDBDRO CC(=Cc1cccc([N+](=O)[O-])c1)C[NH2+]CCN1CCNC1=O ZINC000886323867 708743342 /nfs/dbraw/zinc/74/33/42/708743342.db2.gz NWKJWHACZCDYSJ-FMIVXFBMSA-N 1 0 304.350 1.613 20 5 DDBDRO CN(CC(=O)N1CC([NH+]2CCCC2)C1)c1ccccc1[N+](=O)[O-] ZINC000898609455 708809920 /nfs/dbraw/zinc/80/99/20/708809920.db2.gz ZAKRPUQJYLXDOP-UHFFFAOYSA-N 1 0 318.377 1.338 20 5 DDBDRO [NH3+]C[C@@H]1CN(Cc2cccnc2[N+](=O)[O-])C[C@@H]1C(F)(F)F ZINC000886841176 708859386 /nfs/dbraw/zinc/85/93/86/708859386.db2.gz DNMVZMRAUNDPDS-ZJUUUORDSA-N 1 0 304.272 1.559 20 5 DDBDRO CNc1ccc(C(=O)N2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)cc1[N+](=O)[O-] ZINC000887938815 709172766 /nfs/dbraw/zinc/17/27/66/709172766.db2.gz ANSMOYCGLFFRMB-BLLLJJGKSA-N 1 0 318.377 1.660 20 5 DDBDRO C[NH+]1CCC2(CCN2C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000899911160 709234965 /nfs/dbraw/zinc/23/49/65/709234965.db2.gz QRGDAMPUVFFQLL-HNNXBMFYSA-N 1 0 305.378 1.798 20 5 DDBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)C12CC[NH+](CC1)C2 ZINC000900647860 709694200 /nfs/dbraw/zinc/69/42/00/709694200.db2.gz YXZZITADNBRXRA-UHFFFAOYSA-N 1 0 305.334 1.186 20 5 DDBDRO COc1cc(C(=O)N2CC[C@@H]([NH+]3CCC3)C2)ccc1[N+](=O)[O-] ZINC000912917726 713123696 /nfs/dbraw/zinc/12/36/96/713123696.db2.gz MORKFTAZHCTKCP-GFCCVEGCSA-N 1 0 305.334 1.524 20 5 DDBDRO CCN(C(=O)NCc1cc([N+](=O)[O-])ccc1OC)[C@H]1CC[NH2+]C1 ZINC000891396185 710183602 /nfs/dbraw/zinc/18/36/02/710183602.db2.gz FHLQATYQIBTBSH-ZDUSSCGKSA-N 1 0 322.365 1.497 20 5 DDBDRO Cc1ccc(CNC(=O)NCC[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000891998776 710349718 /nfs/dbraw/zinc/34/97/18/710349718.db2.gz HQKCKJZTAHNKFG-LBPRGKRZSA-N 1 0 306.366 1.702 20 5 DDBDRO C[N@@H+]1C[C@@]2(C)CN(C(=O)c3cccc([N+](=O)[O-])c3N)C[C@@]2(C)C1 ZINC000913281651 713190716 /nfs/dbraw/zinc/19/07/16/713190716.db2.gz BKXWVECRULBESX-IYBDPMFKSA-N 1 0 318.377 1.591 20 5 DDBDRO C[C@@H]1CN(CCCOC(=O)c2ccccc2[N+](=O)[O-])CCO1 ZINC000893392357 710634133 /nfs/dbraw/zinc/63/41/33/710634133.db2.gz QUHPPNAJERUCQH-GFCCVEGCSA-N 1 0 308.334 1.862 20 5 DDBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)n1 ZINC000902469014 710763668 /nfs/dbraw/zinc/76/36/68/710763668.db2.gz NOAIUIDKPKGYHQ-MRTXSQPYSA-N 1 0 305.382 1.758 20 5 DDBDRO COC(=O)[C@@H]1[C@@H](C[NH2+]CCc2ccc([N+](=O)[O-])cc2)C1(F)F ZINC000894242412 711031902 /nfs/dbraw/zinc/03/19/02/711031902.db2.gz ZOSGHIPTEIZIKD-NEPJUHHUSA-N 1 0 314.288 1.781 20 5 DDBDRO COC(=O)c1ccnc(N2CCC(C)([NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000894846479 711294751 /nfs/dbraw/zinc/29/47/51/711294751.db2.gz XRPWVRITHNRLGO-UHFFFAOYSA-N 1 0 322.365 1.697 20 5 DDBDRO [NH3+][C@H](CC(F)F)CN1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000903925881 711335482 /nfs/dbraw/zinc/33/54/82/711335482.db2.gz INFVRAUJYUILJK-SNVBAGLBSA-N 1 0 315.324 1.094 20 5 DDBDRO O=[N+]([O-])c1cccc(CN[C@H]2C[NH2+]CC3(CCOCC3)C2)c1 ZINC000903974087 711353494 /nfs/dbraw/zinc/35/34/94/711353494.db2.gz LGQCAUGQPSEZHG-CQSZACIVSA-N 1 0 305.378 1.843 20 5 DDBDRO COC(=O)c1ccnc(N2CC[C@@H](CC[NH+](C)C)C2)c1[N+](=O)[O-] ZINC000895322110 711483854 /nfs/dbraw/zinc/48/38/54/711483854.db2.gz YTVVGLPBJURIBY-LLVKDONJSA-N 1 0 322.365 1.554 20 5 DDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccccc1 ZINC000913687342 713281415 /nfs/dbraw/zinc/28/14/15/713281415.db2.gz HBUBDNMPYZUPBQ-BYNSBNAKSA-N 1 0 301.346 1.137 20 5 DDBDRO COCC[C@H]1C[NH2+]CCN1C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000904406765 711853689 /nfs/dbraw/zinc/85/36/89/711853689.db2.gz VWMSSXXJBADTDA-ZDUSSCGKSA-N 1 0 322.365 1.745 20 5 DDBDRO NOCCC[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000904457390 711860385 /nfs/dbraw/zinc/86/03/85/711860385.db2.gz MVXCBWVVTULZGX-UHFFFAOYSA-N 1 0 308.382 1.955 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@H]2COC3(CCC3)C2)c1 ZINC000905449536 712040561 /nfs/dbraw/zinc/04/05/61/712040561.db2.gz FBOVLEPTZVNXKX-OCCSQVGLSA-N 1 0 322.361 1.636 20 5 DDBDRO O=C1C[C@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CN1CC1CC1 ZINC000905452088 712041531 /nfs/dbraw/zinc/04/15/31/712041531.db2.gz MUWRXCTVXANAGW-DZGCQCFKSA-N 1 0 319.361 1.229 20 5 DDBDRO C[C@H](CNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)[NH+](C)C ZINC000915284348 713415495 /nfs/dbraw/zinc/41/54/95/713415495.db2.gz HQGQMANMINOSER-SNVBAGLBSA-N 1 0 305.338 1.011 20 5 DDBDRO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](CC[N+](=O)[O-])C1 ZINC000929720395 713675482 /nfs/dbraw/zinc/67/54/82/713675482.db2.gz GALUPPPFUPLDIO-JTQLQIEISA-N 1 0 311.304 1.386 20 5 DDBDRO C[C@@H]1CC[N@H+](CC[N+](=O)[O-])C[C@H]1CNC(=O)OC(C)(C)C ZINC000930684317 713895821 /nfs/dbraw/zinc/89/58/21/713895821.db2.gz OVJANDGHURFVPJ-VXGBXAGGSA-N 1 0 301.387 1.746 20 5 DDBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000931045452 713990094 /nfs/dbraw/zinc/99/00/94/713990094.db2.gz QEKQCIWXRVVCOX-WFASDCNBSA-N 1 0 320.393 1.582 20 5 DDBDRO C[C@](CO)([NH2+]C[C@@H]1CCC2(COC2)O1)c1cccc([N+](=O)[O-])c1 ZINC000931468804 714104538 /nfs/dbraw/zinc/10/45/38/714104538.db2.gz FTCQXCMDLNPRGN-LSDHHAIUSA-N 1 0 322.361 1.340 20 5 DDBDRO Cn1nnc2c1C[C@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])CC2 ZINC000922993531 714206798 /nfs/dbraw/zinc/20/67/98/714206798.db2.gz LRGJTHBAJXAKAR-RYWCDNDXSA-N 1 0 313.361 1.884 20 5 DDBDRO Cn1cc(C[NH2+][C@H]2C[C@H](CO)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000923006883 714212061 /nfs/dbraw/zinc/21/20/61/714212061.db2.gz HFDNQJKRWRBDFU-YEORSEQZSA-N 1 0 316.361 1.856 20 5 DDBDRO CC(C)[C@H]1CN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000923344615 714321613 /nfs/dbraw/zinc/32/16/13/714321613.db2.gz GAVJGANLLIDLBV-ZIAGYGMSSA-N 1 0 323.393 1.264 20 5 DDBDRO Cc1cc(F)ccc1[C@H](C)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000932563169 714359870 /nfs/dbraw/zinc/35/98/70/714359870.db2.gz APTWPXOJXILUSC-FZMZJTMJSA-N 1 0 322.340 1.951 20 5 DDBDRO Cn1cc(C[N@@H+]2CCC[C@@H](C3CCOCC3)C2)c([N+](=O)[O-])n1 ZINC000933088975 714514796 /nfs/dbraw/zinc/51/47/96/714514796.db2.gz NXFJITWUOQYZOJ-CYBMUJFWSA-N 1 0 308.382 1.967 20 5 DDBDRO C[NH+]1CC2(C1)CCN(C(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)C2 ZINC000935665230 715113510 /nfs/dbraw/zinc/11/35/10/715113510.db2.gz AHFWTPCCFAAKEY-CABCVRRESA-N 1 0 315.373 1.862 20 5 DDBDRO C[N@@H+]1CCO[C@H]2CN(c3ccc4ccc([N+](=O)[O-])cc4n3)C[C@H]21 ZINC001164667040 719385865 /nfs/dbraw/zinc/38/58/65/719385865.db2.gz MNXYLSYULDGMCU-CABCVRRESA-N 1 0 314.345 1.662 20 5 DDBDRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2cc([N+](=O)[O-])ccn2)C1 ZINC001164729180 720506233 /nfs/dbraw/zinc/50/62/33/720506233.db2.gz IAEZPDFRSTVDOG-LBPRGKRZSA-N 1 0 316.365 1.384 20 5 DDBDRO Cc1cnc(N2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)c([N+](=O)[O-])c1 ZINC001164965307 722067826 /nfs/dbraw/zinc/06/78/26/722067826.db2.gz INIOPPYVUTYPBE-OKILXGFUSA-N 1 0 318.377 1.598 20 5 DDBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)C(F)F)c2)CC1 ZINC001121251485 782425737 /nfs/dbraw/zinc/42/57/37/782425737.db2.gz DOUGFDXFLVAWKN-UHFFFAOYSA-N 1 0 314.292 1.550 20 5 DDBDRO O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)C1=CCOCC1 ZINC001126110969 738302068 /nfs/dbraw/zinc/30/20/68/738302068.db2.gz TXXBQEQAPPDEPZ-UHFFFAOYSA-N 1 0 311.363 1.209 20 5 DDBDRO O=C(NCC[NH2+]CC/C=C/c1ccccc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126936868 742853972 /nfs/dbraw/zinc/85/39/72/742853972.db2.gz VGZSLUAHJPXVKA-GMLRFVCHSA-N 1 0 303.362 1.461 20 5 DDBDRO CNC(=O)N[C@@H]1CC[N@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC001180673601 742871299 /nfs/dbraw/zinc/87/12/99/742871299.db2.gz PWPAGCYXELNYIJ-GFCCVEGCSA-N 1 0 306.366 1.715 20 5 DDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC2(C[NH+](CCC3CC3)C2)CC1 ZINC001035704261 751790728 /nfs/dbraw/zinc/79/07/28/751790728.db2.gz IJQSRLKRPWIOBT-ZIAGYGMSSA-N 1 0 307.394 1.376 20 5 DDBDRO Cc1cc(C[NH+]2CCC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cs1 ZINC001002786563 743428156 /nfs/dbraw/zinc/42/81/56/743428156.db2.gz BUWWPMVQJMTTOE-ZIAGYGMSSA-N 1 0 323.418 1.802 20 5 DDBDRO Cc1nn(C)c(C(=O)N2CC[N@@H+](C3CC3)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC001183611607 743861229 /nfs/dbraw/zinc/86/12/29/743861229.db2.gz LGADBJNWEDIHCS-SNVBAGLBSA-N 1 0 321.381 1.193 20 5 DDBDRO COC(=O)c1cn(CC[NH2+]Cc2cccc([N+](=O)[O-])c2C)nn1 ZINC001202382426 748767087 /nfs/dbraw/zinc/76/70/87/748767087.db2.gz ZAJLBIRZJUKGDT-UHFFFAOYSA-N 1 0 319.321 1.071 20 5 DDBDRO Cc1ncc(C[NH2+]C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)s1 ZINC000996429705 749588800 /nfs/dbraw/zinc/58/88/00/749588800.db2.gz SXLJFKAXWODRMS-CHWSQXEVSA-N 1 0 324.406 1.197 20 5 DDBDRO O=[N+]([O-])c1cncc(Cl)c1NC[C@@]1(F)CCCC[NH2+]C1 ZINC001162582939 750779454 /nfs/dbraw/zinc/77/94/54/750779454.db2.gz IEHQSHKYFKAGIL-GFCCVEGCSA-N 1 0 302.737 1.959 20 5 DDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+][C@@H](CO)COCc2ccccc2)C1 ZINC001168979803 762146903 /nfs/dbraw/zinc/14/69/03/762146903.db2.gz BIXWAXXXAQIXBA-JYJNAYRXSA-N 1 0 308.378 1.599 20 5 DDBDRO CN1C(=O)CCC12CCC([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001168964217 762157682 /nfs/dbraw/zinc/15/76/82/762157682.db2.gz RVLWLJUPWVEYQU-RXFTYZNJSA-N 1 0 309.410 1.955 20 5 DDBDRO CC(C)NC(=O)N1CCC([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168991552 762166077 /nfs/dbraw/zinc/16/60/77/762166077.db2.gz HISNSTPZWMPBIS-OCCSQVGLSA-N 1 0 312.414 1.604 20 5 DDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+][C@@H]2CCN(Cc3ccccn3)C2)C1 ZINC001168992878 762166464 /nfs/dbraw/zinc/16/64/64/762166464.db2.gz LFVSUVVWHXVVLE-SQWLQELKSA-N 1 0 304.394 1.691 20 5 DDBDRO O=C(N1CCC[C@H]([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)C1)C(F)(F)F ZINC001168986897 762179717 /nfs/dbraw/zinc/17/97/17/762179717.db2.gz FYENBXLQQHWENO-DCAQKATOSA-N 1 0 323.315 1.575 20 5 DDBDRO O=C1CCCCN1C1CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169035833 762191772 /nfs/dbraw/zinc/19/17/72/762191772.db2.gz DAACWINXBLKGEV-UKRRQHHQSA-N 1 0 309.410 1.909 20 5 DDBDRO O=C1CC[C@H]2[C@H](CC[N@H+]2[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)N1CC1CC1 ZINC001169019307 762199993 /nfs/dbraw/zinc/19/99/93/762199993.db2.gz HOAZBEKFZLGCFT-WCVJEAGWSA-N 1 0 321.421 1.907 20 5 DDBDRO O=[N+]([O-])C[C@H]1CC[C@H](N(c2cnccn2)C2CC[NH2+]CC2)C1 ZINC001169042149 762195540 /nfs/dbraw/zinc/19/55/40/762195540.db2.gz DENVFXDJJFDKFW-JSGCOSHPSA-N 1 0 305.382 1.480 20 5 DDBDRO CCOCc1nnn2c1C[N@@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)CCC2 ZINC001169024848 762202078 /nfs/dbraw/zinc/20/20/78/762202078.db2.gz RNRAIWWWUDDCGA-STQMWFEESA-N 1 0 323.397 1.466 20 5 DDBDRO Cc1nccc(N([C@H]2CC[C@H](C[N+](=O)[O-])C2)C2CC[NH2+]CC2)n1 ZINC001169052502 762208293 /nfs/dbraw/zinc/20/82/93/762208293.db2.gz GHHHNSVYIVOOCI-ZFWWWQNUSA-N 1 0 319.409 1.789 20 5 DDBDRO Cc1ncc(CC(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])o1 ZINC001129310826 754387702 /nfs/dbraw/zinc/38/77/02/754387702.db2.gz POQDZKIPUKILOG-UHFFFAOYSA-N 1 0 318.333 1.340 20 5 DDBDRO CCOC(=O)c1ccc(-n2ccc([C@@H](C)[NH3+])n2)c([N+](=O)[O-])c1 ZINC001169235648 762299643 /nfs/dbraw/zinc/29/96/43/762299643.db2.gz YXCMKUINHDZDAD-SECBINFHSA-N 1 0 304.306 1.977 20 5 DDBDRO Cc1nc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cs1 ZINC001086084581 760944449 /nfs/dbraw/zinc/94/44/49/760944449.db2.gz WNAGRTWDXFILSG-LYIQGSDWSA-N 1 0 324.406 1.101 20 5 DDBDRO COC(=O)c1c(C)c([N+](=O)[O-])ccc1N[C@H](C)[C@@H]1C[NH2+]CCO1 ZINC001170574646 768225495 /nfs/dbraw/zinc/22/54/95/768225495.db2.gz NGUWGOQPWWDAIS-MFKMUULPSA-N 1 0 323.349 1.479 20 5 DDBDRO COc1ccc(C[C@@H](C)[NH2+]CCn2ccnn2)c([N+](=O)[O-])c1 ZINC001170299812 766228462 /nfs/dbraw/zinc/22/84/62/766228462.db2.gz WOFTUWQZRCPXCV-LLVKDONJSA-N 1 0 305.338 1.416 20 5 DDBDRO COc1ccc(C[C@@H](C)[NH2+][C@H]2C[C@H](NC(C)=O)C2)c([N+](=O)[O-])c1 ZINC001170313018 766245691 /nfs/dbraw/zinc/24/56/91/766245691.db2.gz IPTQIHJIAUZHLL-LERXQTSPSA-N 1 0 321.377 1.791 20 5 DDBDRO COc1ccc(C[C@@H](C)[NH2+]C[C@H](C)CNC(C)=O)c([N+](=O)[O-])c1 ZINC001170316922 766247514 /nfs/dbraw/zinc/24/75/14/766247514.db2.gz AAOWNGLAJUWSFS-NWDGAFQWSA-N 1 0 323.393 1.896 20 5 DDBDRO CCc1nocc1C(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001133484839 769905264 /nfs/dbraw/zinc/90/52/64/769905264.db2.gz MCNBPISUPUBWQB-UHFFFAOYSA-N 1 0 318.333 1.665 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)c(F)cnc2N[C@@H]1C[NH2+]C[C@@H]1CO ZINC001170773929 771192918 /nfs/dbraw/zinc/19/29/18/771192918.db2.gz KLRLASHWDSWOME-AMIZOPFISA-N 1 0 306.297 1.274 20 5 DDBDRO Cc1cc(C(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)ccn1 ZINC001135559372 771577961 /nfs/dbraw/zinc/57/79/61/771577961.db2.gz MBMMJCCWCGNHAP-UHFFFAOYSA-N 1 0 320.374 1.879 20 5 DDBDRO COc1ccc(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])o1 ZINC001135663921 771639177 /nfs/dbraw/zinc/63/91/77/771639177.db2.gz SVDSKGNXYOEJQO-UHFFFAOYSA-N 1 0 319.317 1.716 20 5 DDBDRO CC(=O)N1CC(Nc2ccc([N+](=O)[O-])c(OCC[NH+](C)C)c2)C1 ZINC001171080047 772264180 /nfs/dbraw/zinc/26/41/80/772264180.db2.gz MVCRKXRMWSAPRR-UHFFFAOYSA-N 1 0 322.365 1.178 20 5 DDBDRO CN(CCNC(=O)C1([NH+](C)C)CCC1)c1ncccc1[N+](=O)[O-] ZINC001100195787 775801650 /nfs/dbraw/zinc/80/16/50/775801650.db2.gz ICMQKWNTYUOAOY-UHFFFAOYSA-N 1 0 321.381 1.027 20 5 DDBDRO Cc1nc(NCCCNC(=O)C[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC001094434908 775860040 /nfs/dbraw/zinc/86/00/40/775860040.db2.gz YGIWZQVSDFMOQK-UHFFFAOYSA-N 1 0 321.381 1.312 20 5 DDBDRO CCN(CCNC(=O)CCC[NH+](C)C)c1ccccc1[N+](=O)[O-] ZINC001100707083 776456975 /nfs/dbraw/zinc/45/69/75/776456975.db2.gz NLYMLKRVJRVYSQ-UHFFFAOYSA-N 1 0 322.409 1.879 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@H+]1C[C@H](O)[C@@H](CO)C1)CC2 ZINC001172905987 776917304 /nfs/dbraw/zinc/91/73/04/776917304.db2.gz VYWFWNLHZXMGFN-FMKPAKJESA-N 1 0 306.362 1.127 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]C(C)(CO)CO)c1F ZINC001173176660 777034590 /nfs/dbraw/zinc/03/45/90/777034590.db2.gz LHODTVIQLMOFOH-SECBINFHSA-N 1 0 316.329 1.006 20 5 DDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCN1CCC[C@@H](O)C1 ZINC001173219539 777051392 /nfs/dbraw/zinc/05/13/92/777051392.db2.gz NQRVFSDXAHCBGX-CZUORRHYSA-N 1 0 307.394 1.572 20 5 DDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CC(=O)N2CCC[C@@H]2C1 ZINC001173235331 777064354 /nfs/dbraw/zinc/06/43/54/777064354.db2.gz WEURANYEBVCLFG-IUODEOHRSA-N 1 0 303.362 1.832 20 5 DDBDRO C[NH+](C)CCC(=O)NCCN(c1ccccc1[N+](=O)[O-])C1CC1 ZINC001101437375 777140101 /nfs/dbraw/zinc/14/01/01/777140101.db2.gz RRYYRISDWCYWEZ-UHFFFAOYSA-N 1 0 320.393 1.632 20 5 DDBDRO C[C@H]1CN(C(=O)c2c[nH]nc2[N+](=O)[O-])CCN1c1cc[nH+]cc1 ZINC001176173493 778060938 /nfs/dbraw/zinc/06/09/38/778060938.db2.gz SESLYJZTCWCJJH-JTQLQIEISA-N 1 0 316.321 1.064 20 5 DDBDRO C[N@@H+]1CC[C@@](O)(CNc2ncc([N+](=O)[O-])c3ccccc32)C1 ZINC001119413172 781442422 /nfs/dbraw/zinc/44/24/22/781442422.db2.gz PBJHAYAPGGBKSI-OAHLLOKOSA-N 1 0 302.334 1.622 20 5 DDBDRO O=C(NCCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1ccn[nH]1 ZINC001154892641 861542846 /nfs/dbraw/zinc/54/28/46/861542846.db2.gz NIQMQUYJDUEGIZ-UHFFFAOYSA-N 1 0 303.322 1.228 20 5 DDBDRO CSc1nc(Cl)nc(-n2nccc2C[NH3+])c1[N+](=O)[O-] ZINC001155124606 861755551 /nfs/dbraw/zinc/75/55/51/861755551.db2.gz BAWOLHAPBHNLRV-UHFFFAOYSA-N 1 0 300.731 1.405 20 5 DDBDRO CCOC(=O)[C@@H]1C[NH2+]CCN1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC001326992036 861780237 /nfs/dbraw/zinc/78/02/37/861780237.db2.gz XGRINEMPCWCKHE-AWEZNQCLSA-N 1 0 307.350 1.240 20 5 DDBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N[C@H]2C[NH+]3CCC2CC3)n1 ZINC001155666966 862360183 /nfs/dbraw/zinc/36/01/83/862360183.db2.gz DCEWXXDMHZFYAT-NSHDSACASA-N 1 0 320.353 1.158 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])c(N(c2ncccn2)C2C[NH2+]C2)n1 ZINC001155871995 862527179 /nfs/dbraw/zinc/52/71/79/862527179.db2.gz VUZDOEHXSRMGEJ-UHFFFAOYSA-N 1 0 300.322 1.507 20 5 DDBDRO CCn1c(C[N+](=O)[O-])nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001121792105 858598109 /nfs/dbraw/zinc/59/81/09/858598109.db2.gz QBCVQBDQRUMUPN-UHFFFAOYSA-N 1 0 310.402 1.385 20 5 DDBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCC2(C[NH2+]C2)CC1 ZINC001122129367 858691929 /nfs/dbraw/zinc/69/19/29/858691929.db2.gz NAZQCNWNRBQILS-UHFFFAOYSA-N 1 0 321.402 1.899 20 5 DDBDRO Cc1nn(CCC(=O)N2CCC3(C[NH2+]C3)CC2)c(C)c1[N+](=O)[O-] ZINC001122129818 858692922 /nfs/dbraw/zinc/69/29/22/858692922.db2.gz RGYBCRCZZPELTO-UHFFFAOYSA-N 1 0 321.381 1.010 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC001122281303 858738015 /nfs/dbraw/zinc/73/80/15/858738015.db2.gz KFGOHMVCKHXTPD-UKRRQHHQSA-N 1 0 304.350 1.560 20 5 DDBDRO COc1ccc(C(=O)N2CC[C@H](C[NH3+])[C@@H](C)C2)cc1[N+](=O)[O-] ZINC001122295422 858741228 /nfs/dbraw/zinc/74/12/28/858741228.db2.gz JHJOXPCHTYLIIG-CMPLNLGQSA-N 1 0 307.350 1.660 20 5 DDBDRO Cc1c(CC(=O)N2CC[C@@H]3CC[C@@]32C[NH3+])cccc1[N+](=O)[O-] ZINC001122321584 858751645 /nfs/dbraw/zinc/75/16/45/858751645.db2.gz WJXJNRLFGYJKOT-XJKSGUPXSA-N 1 0 303.362 1.786 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC(OC2C[NH2+]C2)CC1 ZINC001122474561 858839571 /nfs/dbraw/zinc/83/95/71/858839571.db2.gz FHTRRFATADYHEN-UHFFFAOYSA-N 1 0 319.361 1.496 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N(C)CC1CC[NH2+]CC1 ZINC001122476486 858840407 /nfs/dbraw/zinc/84/04/07/858840407.db2.gz YINRVGRLRYTXDQ-UHFFFAOYSA-N 1 0 320.393 1.732 20 5 DDBDRO CCc1cc(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC001123857419 859443341 /nfs/dbraw/zinc/44/33/41/859443341.db2.gz VBURXIIGCOLGKT-UHFFFAOYSA-N 1 0 317.349 1.400 20 5 DDBDRO C[NH+](C)CCN(CC1CCCCC1)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001142307215 861113722 /nfs/dbraw/zinc/11/37/22/861113722.db2.gz UJQVNMRPFASEGD-UHFFFAOYSA-N 1 0 323.397 1.902 20 5 DDBDRO O=C([C@H]1C[C@@]12CCC[NH2+]C2)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001329099337 863475823 /nfs/dbraw/zinc/47/58/23/863475823.db2.gz JACWYGYVWYQECF-GDBMZVCRSA-N 1 0 301.346 1.827 20 5 DDBDRO COC(=O)c1cnc(N2CC[C@H]([N@H+](C)C(C)C)C2)c([N+](=O)[O-])c1 ZINC001157010085 863515199 /nfs/dbraw/zinc/51/51/99/863515199.db2.gz OGRWJRGDKWLRNA-LBPRGKRZSA-N 1 0 322.365 1.695 20 5 DDBDRO CCOc1nc(N2C[C@H]3CCC[N@H+](C)[C@H]3C2)ccc1[N+](=O)[O-] ZINC001157271751 863700658 /nfs/dbraw/zinc/70/06/58/863700658.db2.gz JEPFBZOOKHSRLO-YPMHNXCESA-N 1 0 306.366 1.919 20 5 DDBDRO C[C@@H]1C[C@@H](N(C)C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC001330570313 864458324 /nfs/dbraw/zinc/45/83/24/864458324.db2.gz AESZOOKKNROUAC-ZLDLUXBVSA-N 1 0 321.377 1.569 20 5 DDBDRO O=C(NC[C@H]1C[NH+]2CCC1CC2)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001158269055 864529237 /nfs/dbraw/zinc/52/92/37/864529237.db2.gz MSBGFLTWPWCHQH-ZFWWWQNUSA-N 1 0 319.361 1.086 20 5 DDBDRO [NH3+]Cc1cccc2c1cnn2-c1c(Cl)[n+]([O-])ccc1[N+](=O)[O-] ZINC001158310831 864567487 /nfs/dbraw/zinc/56/74/87/864567487.db2.gz CRABDABONLWMJG-UHFFFAOYSA-N 1 0 319.708 1.679 20 5 DDBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CC2(C1)CCC[NH2+]C2 ZINC001159025703 865052930 /nfs/dbraw/zinc/05/29/30/865052930.db2.gz WUTVPPVUZWHSBI-UHFFFAOYSA-N 1 0 320.349 1.356 20 5 DDBDRO C[C@H](Nc1ncnc2ccc([N+](=O)[O-])cc21)[C@H]1C[NH2+]CCO1 ZINC001159496838 865348948 /nfs/dbraw/zinc/34/89/48/865348948.db2.gz LBQVXFPOQUORHW-TVQRCGJNSA-N 1 0 303.322 1.327 20 5 DDBDRO C[C@@H](Nc1ncnc2cc([N+](=O)[O-])ccc21)[C@H]1C[NH2+]CCO1 ZINC001159496016 865348981 /nfs/dbraw/zinc/34/89/81/865348981.db2.gz IADFXAKUNOQMDD-NOZJJQNGSA-N 1 0 303.322 1.327 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCC2(O)CC[NH+](C)CC2)c1C ZINC001332392883 865810365 /nfs/dbraw/zinc/81/03/65/865810365.db2.gz HZMDSWXOINUEMV-UHFFFAOYSA-N 1 0 321.377 1.398 20 5 DDBDRO O=C(NCC1([NH2+]CCCc2ccsc2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001277055002 881907825 /nfs/dbraw/zinc/90/78/25/881907825.db2.gz LDYAHLMRHMHVFU-CHWSQXEVSA-N 1 0 323.418 1.584 20 5 DDBDRO O=C(NCCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1ccsn1 ZINC001160697893 866046195 /nfs/dbraw/zinc/04/61/95/866046195.db2.gz KYLQYOVRWDTWIO-UHFFFAOYSA-N 1 0 320.374 1.961 20 5 DDBDRO COC(=O)c1cnc(NCc2ccccc2C[NH3+])c([N+](=O)[O-])c1 ZINC001160906205 866180598 /nfs/dbraw/zinc/18/05/98/866180598.db2.gz OELFXBMFBSCQNN-UHFFFAOYSA-N 1 0 316.317 1.847 20 5 DDBDRO Nc1cc(N(C2COC2)[C@H]2CC[C@H]([NH3+])CC2)ncc1[N+](=O)[O-] ZINC001161280298 866487888 /nfs/dbraw/zinc/48/78/88/866487888.db2.gz DIKDTIFPFFWBSZ-MGCOHNPYSA-N 1 0 307.354 1.047 20 5 DDBDRO COCCC(=O)NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001225730054 881998028 /nfs/dbraw/zinc/99/80/28/881998028.db2.gz UODZWENNEJQWHA-UHFFFAOYSA-N 1 0 321.377 1.712 20 5 DDBDRO CS(=O)(=O)N(CC[NH3+])c1ccc([N+](=O)[O-])c2ccccc21 ZINC001162130848 867275302 /nfs/dbraw/zinc/27/53/02/867275302.db2.gz JVSMTSWNNXTFPK-UHFFFAOYSA-N 1 0 309.347 1.473 20 5 DDBDRO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC001325115192 867783155 /nfs/dbraw/zinc/78/31/55/867783155.db2.gz XGVSHYQASCROMJ-JQWIXIFHSA-N 1 0 307.354 1.406 20 5 DDBDRO O=[N+]([O-])c1c(Cl)nc(Cl)nc1N[C@@H]1C=C[C@H]2C[NH2+]C[C@@H]21 ZINC001162795403 867828288 /nfs/dbraw/zinc/82/82/88/867828288.db2.gz VSOGBJOUZJALPS-LYFYHCNISA-N 1 0 316.148 1.878 20 5 DDBDRO [NH3+][C@H]1COC[C@H]1Nc1cnc(Oc2ccc([N+](=O)[O-])cc2)nc1 ZINC001162921151 867919978 /nfs/dbraw/zinc/91/99/78/867919978.db2.gz LZJPTXVJWZZHAV-QWHCGFSZSA-N 1 0 317.305 1.315 20 5 DDBDRO [NH3+]C[C@@H](CO)c1ccc(Nc2cc([N+](=O)[O-])cc[n+]2[O-])cc1 ZINC001163050096 868037657 /nfs/dbraw/zinc/03/76/57/868037657.db2.gz KFKKIPVFGYYZEM-NSHDSACASA-N 1 0 304.306 1.006 20 5 DDBDRO COc1ccc(NCC[C@@H]2CCOC23C[NH2+]C3)nc1[N+](=O)[O-] ZINC001163082967 868072219 /nfs/dbraw/zinc/07/22/19/868072219.db2.gz WOTYRKRFUVMFRW-SNVBAGLBSA-N 1 0 308.338 1.179 20 5 DDBDRO O=[N+]([O-])c1c2[nH]cnc2ccc1NCC[C@@H]1CCOC12C[NH2+]C2 ZINC001163094958 868088369 /nfs/dbraw/zinc/08/83/69/868088369.db2.gz NSMFIBDCBVXSGU-SNVBAGLBSA-N 1 0 317.349 1.652 20 5 DDBDRO COc1cc(NC[C@]23C[NH2+]C[C@H]2COC3)cc([N+](=O)[O-])c1C ZINC001163155150 868167971 /nfs/dbraw/zinc/16/79/71/868167971.db2.gz ZMFKULWLEKKNAH-NHYWBVRUSA-N 1 0 307.350 1.560 20 5 DDBDRO O=[N+]([O-])c1cnc(NC[C@@]23C[NH2+][C@@H](CO2)C3)c(C(F)(F)F)c1 ZINC001163202033 868209206 /nfs/dbraw/zinc/20/92/06/868209206.db2.gz CLDJZRXNRIXOLP-RDDDGLTNSA-N 1 0 318.255 1.551 20 5 DDBDRO O=C1C[C@@H]2[NH2+]CC[C@@]2(Nc2ccnc3c2cccc3[N+](=O)[O-])N1 ZINC001163254965 868265731 /nfs/dbraw/zinc/26/57/31/868265731.db2.gz VZIHDMHNMGRQLX-SWLSCSKDSA-N 1 0 313.317 1.133 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2C[C@@]2(F)c2ccccc2)c1 ZINC001335986705 868663922 /nfs/dbraw/zinc/66/39/22/868663922.db2.gz PCQYNEDDDSCNPX-QLFBSQMISA-N 1 0 320.324 1.379 20 5 DDBDRO C[NH+](C)C1CN(c2nc(Cl)nc3ccc([N+](=O)[O-])cc32)C1 ZINC001163933958 868804999 /nfs/dbraw/zinc/80/49/99/868804999.db2.gz UIDALQZVLFGWCE-UHFFFAOYSA-N 1 0 307.741 1.942 20 5 DDBDRO C[C@H](NC(=O)N(C)CCOCC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC001336710310 869103936 /nfs/dbraw/zinc/10/39/36/869103936.db2.gz OVHWUMPPLMMNRP-NSHDSACASA-N 1 0 310.354 1.273 20 5 DDBDRO COc1c(O)ccc(C[N@@H+]2CC[C@@](O)(C3CC3)C2)c1[N+](=O)[O-] ZINC001336797186 869148579 /nfs/dbraw/zinc/14/85/79/869148579.db2.gz KBQVQJMIRGZCGM-HNNXBMFYSA-N 1 0 308.334 1.656 20 5 DDBDRO COC(=O)c1cnc(N2C[C@@H](C[NH3+])CC[C@H]2C)c([N+](=O)[O-])c1 ZINC001164463062 869210038 /nfs/dbraw/zinc/21/00/38/869210038.db2.gz WJHJYHYZMLDDOY-NXEZZACHSA-N 1 0 308.338 1.340 20 5 DDBDRO [NH3+]C[C@H]1CN(C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)CCO1 ZINC001165121581 869389168 /nfs/dbraw/zinc/38/91/68/869389168.db2.gz ONWJAQKFISVUPR-QMMMGPOBSA-N 1 0 322.699 1.352 20 5 DDBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N2CC[C@]3(C2)CCC[NH2+]C3)n1 ZINC001165236108 869455898 /nfs/dbraw/zinc/45/58/98/869455898.db2.gz FKRQIMQVSDOMQH-CYBMUJFWSA-N 1 0 311.773 1.927 20 5 DDBDRO COc1ccc(CC(=O)N[C@@H]2C[NH+]3CCC2CC3)cc1[N+](=O)[O-] ZINC001337410964 869475981 /nfs/dbraw/zinc/47/59/81/869475981.db2.gz UQOYNNVLTXRGSW-CYBMUJFWSA-N 1 0 319.361 1.356 20 5 DDBDRO O=C(N[C@H]1C[NH+]2CCC1CC2)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001337411948 869476170 /nfs/dbraw/zinc/47/61/70/869476170.db2.gz ZNSHHNDYHDGVAE-XHSDSOJGSA-N 1 0 315.373 1.909 20 5 DDBDRO O=[N+]([O-])c1cc(Cl)[n+]([O-])c(N2CCC(C3C[NH2+]C3)CC2)c1 ZINC001165410114 869577026 /nfs/dbraw/zinc/57/70/26/869577026.db2.gz WQAROMQKLYGHRR-UHFFFAOYSA-N 1 0 312.757 1.317 20 5 DDBDRO COC(=O)[C@@H]1C[NH2+]CCN1c1ccc2cccc([N+](=O)[O-])c2n1 ZINC001165438140 869601765 /nfs/dbraw/zinc/60/17/65/869601765.db2.gz FBWMZHILADJLIS-LBPRGKRZSA-N 1 0 316.317 1.094 20 5 DDBDRO O=[N+]([O-])c1cc[n+]([O-])cc1NCC1C[NH+](Cc2ccccc2)C1 ZINC001165453829 869609533 /nfs/dbraw/zinc/60/95/33/869609533.db2.gz KVKBIRHCALFTRW-UHFFFAOYSA-N 1 0 314.345 1.772 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCCNC(=O)C1(C)CC=CC1 ZINC001165849004 869734964 /nfs/dbraw/zinc/73/49/64/869734964.db2.gz UWAMPTMULRFHIJ-UHFFFAOYSA-N 1 0 321.381 1.281 20 5 DDBDRO CCOC(=O)c1cnn2ccc(O[C@@H](C)C[N+](C)(C)C)nc12 ZINC001226350847 882376652 /nfs/dbraw/zinc/37/66/52/882376652.db2.gz UOQKOQJTIZZHIR-NSHDSACASA-N 1 0 307.374 1.380 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1nc(Cl)ccc1[N+](=O)[O-] ZINC001226365744 882386712 /nfs/dbraw/zinc/38/67/12/882386712.db2.gz GATYSKJPWUUSGJ-MRVPVSSYSA-N 1 0 318.737 1.006 20 5 DDBDRO CSc1nc(Cl)nc(N2C[C@@H]([NH3+])[C@@H](F)C2)c1[N+](=O)[O-] ZINC001166929776 870389732 /nfs/dbraw/zinc/38/97/32/870389732.db2.gz ATAXGFJFOGRVFR-CRCLSJGQSA-N 1 0 307.738 1.246 20 5 DDBDRO CCOCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC001317205208 870466802 /nfs/dbraw/zinc/46/68/02/870466802.db2.gz QQWMYNNIEXQGQS-FOLVSLTJSA-N 1 0 319.361 1.178 20 5 DDBDRO C[C@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC001339681581 870629813 /nfs/dbraw/zinc/62/98/13/870629813.db2.gz XOJNEOSFSJCHDR-QWRGUYRKSA-N 1 0 309.370 1.653 20 5 DDBDRO O=C([C@@H]1[C@@H]2CC[NH2+]C[C@@H]21)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001340178639 870941553 /nfs/dbraw/zinc/94/15/53/870941553.db2.gz DUYIZURSEKNRAS-IJEWVQPXSA-N 1 0 315.373 1.941 20 5 DDBDRO C[NH+](C)CC[C@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001303475846 871127725 /nfs/dbraw/zinc/12/77/25/871127725.db2.gz DFTRDIVHJQJBLX-AWEZNQCLSA-N 1 0 305.378 1.938 20 5 DDBDRO O=CN1CCC([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC001308722484 871519958 /nfs/dbraw/zinc/51/99/58/871519958.db2.gz LTRSBEUESYGFQR-UHFFFAOYSA-N 1 0 303.322 1.182 20 5 DDBDRO COC[C@@H](CC[NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-])OC ZINC001308858407 871533586 /nfs/dbraw/zinc/53/35/86/871533586.db2.gz CYQUEUQXVDUQFR-LLVKDONJSA-N 1 0 314.338 1.450 20 5 DDBDRO CCc1ccc(C(=O)NCC[C@@H]2CSCC[NH2+]2)cc1[N+](=O)[O-] ZINC001341161441 871535734 /nfs/dbraw/zinc/53/57/34/871535734.db2.gz BWMVRXLCYUFVDZ-CYBMUJFWSA-N 1 0 323.418 1.982 20 5 DDBDRO C[C@@H]1CN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])CC[C@@H]1C[NH3+] ZINC001341251090 871578471 /nfs/dbraw/zinc/57/84/71/871578471.db2.gz QRBQUGSKLFTJFA-CHWSQXEVSA-N 1 0 320.393 1.474 20 5 DDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[NH+](CC2CCCCCC2)CC1 ZINC001313444795 871805867 /nfs/dbraw/zinc/80/58/67/871805867.db2.gz KBSUGZQGFTWMSA-HUUCEWRRSA-N 1 0 309.410 1.766 20 5 DDBDRO CC1(C)CN(C(=O)CSc2ccc([N+](=O)[O-])cc2)C[C@@H]1[NH3+] ZINC001342583214 872273924 /nfs/dbraw/zinc/27/39/24/872273924.db2.gz ISERIVGEGJWYDL-LBPRGKRZSA-N 1 0 309.391 1.883 20 5 DDBDRO [NH3+]C[C@@]12CC[C@H]1CCCN2C(=O)COc1cccc([N+](=O)[O-])c1 ZINC001342853606 872414786 /nfs/dbraw/zinc/41/47/86/872414786.db2.gz WANVQFPUSMNFPQ-WBMJQRKESA-N 1 0 319.361 1.704 20 5 DDBDRO C[C@@H]1C[C@H](C(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC001343258939 872556189 /nfs/dbraw/zinc/55/61/89/872556189.db2.gz YSZUUTBONHKYSM-VXGBXAGGSA-N 1 0 307.350 1.478 20 5 DDBDRO CN(C(=O)c1cc(F)ccc1[N+](=O)[O-])C1(C[NH3+])CCOCC1 ZINC001345360868 873373278 /nfs/dbraw/zinc/37/32/78/873373278.db2.gz USUGCVJJOCAJNS-UHFFFAOYSA-N 1 0 311.313 1.314 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC1CC[NH2+]CC1 ZINC001346333657 873704531 /nfs/dbraw/zinc/70/45/31/873704531.db2.gz BYNSYTJWMAWLLE-UHFFFAOYSA-N 1 0 307.350 1.675 20 5 DDBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001346684342 873847936 /nfs/dbraw/zinc/84/79/36/873847936.db2.gz ACVWHWYMLSAIBW-NWANDNLSSA-N 1 0 318.377 1.672 20 5 DDBDRO O=c1nc2ccc([N+](=O)[O-])cc2c(O[C@@H]2C[NH+]3CCC2CC3)[nH]1 ZINC001227094397 882827981 /nfs/dbraw/zinc/82/79/81/882827981.db2.gz AIDVYLWNQQETDR-CYBMUJFWSA-N 1 0 316.317 1.717 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](C)C[C@@H]23)c1 ZINC001349696119 875311309 /nfs/dbraw/zinc/31/13/09/875311309.db2.gz ZFCMKJFTIVKZTG-LERXQTSPSA-N 1 0 319.361 1.673 20 5 DDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@@]12CC[N@H+](C1)CCC2 ZINC001350052768 875518413 /nfs/dbraw/zinc/51/84/13/875518413.db2.gz JOBISYGAMUTDHI-MRXNPFEDSA-N 1 0 303.362 1.739 20 5 DDBDRO [NH3+]C1(CNC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)CCOCC1 ZINC001351538679 876312219 /nfs/dbraw/zinc/31/22/19/876312219.db2.gz JBYYHZLGYWJJSI-UHFFFAOYSA-N 1 0 320.349 1.128 20 5 DDBDRO Cn1nnnc1CCC[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC001352100488 876599445 /nfs/dbraw/zinc/59/94/45/876599445.db2.gz QPZJPCPSTOWGKD-DAXSKMNVSA-N 1 0 302.338 1.354 20 5 DDBDRO CN1CCCC[C@H]1C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC001353259714 877217281 /nfs/dbraw/zinc/21/72/81/877217281.db2.gz KJBICDVULAKXEJ-GJZGRUSLSA-N 1 0 323.393 1.408 20 5 DDBDRO C[C@H](CNC(=O)[C@@H]1C[C@@]12CC[NH2+]C2)c1ccccc1[N+](=O)[O-] ZINC001355316110 878496055 /nfs/dbraw/zinc/49/60/55/878496055.db2.gz LTIXOVGCBHRDDO-PVXIVEMSSA-N 1 0 303.362 1.814 20 5 DDBDRO CCC[N@H+](C)C[C@H]1CCN(c2nnc([C@@H](C)[N+](=O)[O-])n2C)C1 ZINC001355414039 878544331 /nfs/dbraw/zinc/54/43/31/878544331.db2.gz ASNDSVMJQKZSSC-VXGBXAGGSA-N 1 0 310.402 1.321 20 5 DDBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CC[NH2+]C[C@@H]1CO ZINC001358034508 880302549 /nfs/dbraw/zinc/30/25/49/880302549.db2.gz CEOUPJHXZNOCFQ-LLVKDONJSA-N 1 0 321.358 1.216 20 5 DDBDRO C[C@@H](CNC(=O)C[C@H]1CSCC[NH2+]1)c1ccccc1[N+](=O)[O-] ZINC001358388261 880417870 /nfs/dbraw/zinc/41/78/70/880417870.db2.gz JDTYKPKMAKGJDE-RYUDHWBXSA-N 1 0 323.418 1.910 20 5 DDBDRO COc1c(C)cc(COC(=O)C[C@@H](O)C[N+](C)(C)C)cc1C ZINC001223599218 881021686 /nfs/dbraw/zinc/02/16/86/881021686.db2.gz SYUKLCAYTLHOPI-OAHLLOKOSA-N 1 0 310.414 1.812 20 5 DDBDRO COC(=O)c1ccc(O[C@H](C)C[N+](C)(C)C)cc1C(=O)OC ZINC001230903852 885032722 /nfs/dbraw/zinc/03/27/22/885032722.db2.gz JSFRHUZLZJPEOH-LLVKDONJSA-N 1 0 310.370 1.733 20 5 DDBDRO CCCOCC(=O)NCCC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001235137893 888431747 /nfs/dbraw/zinc/43/17/47/888431747.db2.gz SGJYTQPZRQTEHP-UHFFFAOYSA-N 1 0 323.393 1.960 20 5 DDBDRO C[C@H](CNC(=O)c1cnc(N)c([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](C)C1 ZINC001290900460 913536681 /nfs/dbraw/zinc/53/66/81/913536681.db2.gz UYGRNIOCIRWHMR-GHMZBOCLSA-N 1 0 321.381 1.422 20 5 DDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCN[C@]2(CC[NH2+]C2)C1 ZINC001246638821 892761456 /nfs/dbraw/zinc/76/14/56/892761456.db2.gz UNSOLQHKJBNOBN-CJNGLKHVSA-N 1 0 304.394 1.163 20 5 DDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001246638822 892761777 /nfs/dbraw/zinc/76/17/77/892761777.db2.gz UNSOLQHKJBNOBN-CZUORRHYSA-N 1 0 304.394 1.163 20 5 DDBDRO COc1ccc(C[C@H](C)N2CC[C@H]3C[C@@]3([NH3+])C2)c([N+](=O)[O-])c1 ZINC001246658894 892772305 /nfs/dbraw/zinc/77/23/05/892772305.db2.gz QCOGNJSQYHFHRG-DETPVDSQSA-N 1 0 305.378 1.958 20 5 DDBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@H]2CC[C@@H]3C[NH2+]C[C@@H]32)n1 ZINC001247882621 893457776 /nfs/dbraw/zinc/45/77/76/893457776.db2.gz BQGHCSVHPSTVJA-JEZHCXPESA-N 1 0 319.296 1.892 20 5 DDBDRO O=C(C[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)NCc1ccco1 ZINC001254578191 896511431 /nfs/dbraw/zinc/51/14/31/896511431.db2.gz KFJHWVGQFJBQGM-ZDUSSCGKSA-N 1 0 315.329 1.561 20 5 DDBDRO COC(=O)C1CC[NH+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254594796 896522845 /nfs/dbraw/zinc/52/28/45/896522845.db2.gz STPYTKVZHUHUTA-OAHLLOKOSA-N 1 0 304.346 1.947 20 5 DDBDRO O=C1NCC[C@H]2C[N@@H+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C[C@@H]12 ZINC001254608761 896530729 /nfs/dbraw/zinc/53/07/29/896530729.db2.gz SLUNJKYSTNQONM-TUKIKUTGSA-N 1 0 301.346 1.130 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1CCOC3(CCOCC3)C1)C2 ZINC001254608086 896530982 /nfs/dbraw/zinc/53/09/82/896530982.db2.gz OZUVYJOOAOLJIR-INIZCTEOSA-N 1 0 318.373 1.943 20 5 DDBDRO COC(=O)[C@H]1C[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCCO1 ZINC001254610928 896531726 /nfs/dbraw/zinc/53/17/26/896531726.db2.gz MTWOTTIBRBDBGM-LSDHHAIUSA-N 1 0 320.345 1.326 20 5 DDBDRO CC[N@@H+]1CCN(c2nnc(-c3ccc([N+](=O)[O-])o3)n2C)C[C@@H]1C ZINC001262864549 900401957 /nfs/dbraw/zinc/40/19/57/900401957.db2.gz JVURDXUIZSQWNV-JTQLQIEISA-N 1 0 320.353 1.514 20 5 DDBDRO O=C(NCc1cccc([N+](=O)[O-])c1)[C@H]1C[NH2+]CCC12CCC2 ZINC001263072402 900481807 /nfs/dbraw/zinc/48/18/07/900481807.db2.gz BGGCWYKSKLXADT-CQSZACIVSA-N 1 0 303.362 1.991 20 5 DDBDRO COc1ccc(CC(=O)NC[C@@H]2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC001263322691 900575017 /nfs/dbraw/zinc/57/50/17/900575017.db2.gz TZHYATUIVBXLSV-GFCCVEGCSA-N 1 0 321.377 1.652 20 5 DDBDRO CC[N@@H+]1CCN(c2nnc([C@@H](C)[N+](=O)[O-])n2CC(C)C)C[C@H]1C ZINC001263415595 900605709 /nfs/dbraw/zinc/60/57/09/900605709.db2.gz HFMFGEIQCCKOEG-CHWSQXEVSA-N 1 0 324.429 1.802 20 5 DDBDRO COC(=O)c1cc(NC(=O)C[C@H]2CC[N@H+](C)C2)cc([N+](=O)[O-])c1 ZINC001293928023 914778128 /nfs/dbraw/zinc/77/81/28/914778128.db2.gz LVTLVHMJSRGTFY-SNVBAGLBSA-N 1 0 321.333 1.662 20 5 DDBDRO CN(C)c1cc(F)c(C(=O)N2CC[NH2+]C(C)(C)C2)cc1[N+](=O)[O-] ZINC001294495042 915172464 /nfs/dbraw/zinc/17/24/64/915172464.db2.gz WOVJHALTGOOSNC-UHFFFAOYSA-N 1 0 324.356 1.624 20 5 DDBDRO C[C@@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000162692723 197584691 /nfs/dbraw/zinc/58/46/91/197584691.db2.gz ZQVKMDVMTJCLNH-AGIUHOORSA-N 1 0 310.350 1.349 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC[C@H](C)[NH+](C)C)c1 ZINC000451923310 231233921 /nfs/dbraw/zinc/23/39/21/231233921.db2.gz BNHGXROKWMKHMR-JTQLQIEISA-N 1 0 315.395 1.440 20 5 DDBDRO COC[C@@H]1CN(CCOc2ccccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000252039444 282208462 /nfs/dbraw/zinc/20/84/62/282208462.db2.gz ZEDYVRJZMSUJNO-OLZOCXBDSA-N 1 0 310.350 1.709 20 5 DDBDRO C[N@@H+]1CC[C@](O)(CNc2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413244219 529810619 /nfs/dbraw/zinc/81/06/19/529810619.db2.gz ZFBPQJSEUZTPPB-HNNXBMFYSA-N 1 0 302.334 1.622 20 5 DDBDRO CN1C[C@H]([NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1=O ZINC000447536833 529830018 /nfs/dbraw/zinc/83/00/18/529830018.db2.gz QHYIJESTJVYJPO-WOPDTQHZSA-N 1 0 307.354 1.095 20 5 DDBDRO Cc1cc(S(=O)(=O)N[C@@H](C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000286733490 219136363 /nfs/dbraw/zinc/13/63/63/219136363.db2.gz NZWCMPVLPSWYKB-JTQLQIEISA-N 1 0 301.368 1.132 20 5 DDBDRO C[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C[C@H]1CCCC[C@@H]1O ZINC000305806501 529983939 /nfs/dbraw/zinc/98/39/39/529983939.db2.gz KCGGJXJDSFVEFN-HIFRSBDPSA-N 1 0 321.377 1.677 20 5 DDBDRO CN(CC(=O)N[C@@](C)(C[NH3+])C1CC1)c1ccccc1[N+](=O)[O-] ZINC000237071857 282356086 /nfs/dbraw/zinc/35/60/86/282356086.db2.gz FRWDDTKGOUZHPP-HNNXBMFYSA-N 1 0 306.366 1.275 20 5 DDBDRO CC[N@@H+]1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000286770071 219157228 /nfs/dbraw/zinc/15/72/28/219157228.db2.gz ZUBHWUABKQBPCV-KGLIPLIRSA-N 1 0 323.393 1.361 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2C[C@H]2c2ccccc2)c1 ZINC000314786272 290807047 /nfs/dbraw/zinc/80/70/47/290807047.db2.gz JISQMTGXQNWZGQ-QLFBSQMISA-N 1 0 302.334 1.298 20 5 DDBDRO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](CCn1cc(Cl)cn1)CC2 ZINC000459391721 233159105 /nfs/dbraw/zinc/15/91/05/233159105.db2.gz CUCOOFPQTQCRCC-UHFFFAOYSA-N 1 0 307.741 1.898 20 5 DDBDRO CC[N@@H+]1CCCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000155702427 186105159 /nfs/dbraw/zinc/10/51/59/186105159.db2.gz JXPAUINOOLQWGD-UHFFFAOYSA-N 1 0 320.349 1.088 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@H](CCCO)c2ccccc2)c1 ZINC000179727626 186211137 /nfs/dbraw/zinc/21/11/37/186211137.db2.gz KTVKCPNOCDVZKH-HNNXBMFYSA-N 1 0 304.350 1.895 20 5 DDBDRO CCOC(=O)CC[C@@H](O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000564844728 304019010 /nfs/dbraw/zinc/01/90/10/304019010.db2.gz LXAPTORLNDVNBH-SMDDNHRTSA-N 1 0 310.350 1.950 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H]2CSc3ccccc32)c1 ZINC000564854992 304019508 /nfs/dbraw/zinc/01/95/08/304019508.db2.gz VBVQXOUKRFXUJV-AAEUAGOBSA-N 1 0 320.374 1.589 20 5 DDBDRO CC[NH+]1CCC(NC(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000029606551 352242627 /nfs/dbraw/zinc/24/26/27/352242627.db2.gz ZSYDHHAHQFAIOP-UHFFFAOYSA-N 1 0 307.350 1.574 20 5 DDBDRO CNC(=O)c1ccc(C[N@H+](C)CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000172717405 198140445 /nfs/dbraw/zinc/14/04/45/198140445.db2.gz OCACZAGUXLVMJA-UHFFFAOYSA-N 1 0 317.349 1.283 20 5 DDBDRO C[C@H]1CCCC[N@@H+]1CCNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000047143874 352483094 /nfs/dbraw/zinc/48/30/94/352483094.db2.gz ZWMQUKYXECALPP-ZDUSSCGKSA-N 1 0 321.377 1.964 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]Cc2cccc(Cl)c2)c1 ZINC000053156036 352643173 /nfs/dbraw/zinc/64/31/73/352643173.db2.gz DDMILKYLDNBBNK-CYBMUJFWSA-N 1 0 310.741 1.595 20 5 DDBDRO CC[NH+]1CCC(NC(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000054645651 352699788 /nfs/dbraw/zinc/69/97/88/352699788.db2.gz UMSULXYHNSFJEG-UHFFFAOYSA-N 1 0 320.393 1.921 20 5 DDBDRO C[C@@H](CNC(=O)COc1ccccc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000055538753 352736886 /nfs/dbraw/zinc/73/68/86/352736886.db2.gz HRYXIHYPDFLMRF-ZDUSSCGKSA-N 1 0 321.377 1.822 20 5 DDBDRO Nc1ccc(C(=O)N2CC[NH+](CC3CC3)CC2)cc1[N+](=O)[O-] ZINC000063779501 352925190 /nfs/dbraw/zinc/92/51/90/352925190.db2.gz NWVQZFNVGGOHSD-UHFFFAOYSA-N 1 0 304.350 1.345 20 5 DDBDRO CNC(=O)c1ccc(N[C@H]2CC[N@@H+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000069000607 353140283 /nfs/dbraw/zinc/14/02/83/353140283.db2.gz XSJKHEUVCWQUTN-LBPRGKRZSA-N 1 0 306.366 1.849 20 5 DDBDRO COCC[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCCC1 ZINC000075645593 353373765 /nfs/dbraw/zinc/37/37/65/353373765.db2.gz CUYUASODADZSNY-AWEZNQCLSA-N 1 0 312.370 1.043 20 5 DDBDRO CC[C@H](CO)[NH+]1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000075959404 353387754 /nfs/dbraw/zinc/38/77/54/353387754.db2.gz DUJONDRQRMQHOK-OAHLLOKOSA-N 1 0 307.394 1.526 20 5 DDBDRO CC(C)(C)CC[NH+]1CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000077525691 353474247 /nfs/dbraw/zinc/47/42/47/353474247.db2.gz DPLMHQJKKSJAKO-UHFFFAOYSA-N 1 0 308.386 1.525 20 5 DDBDRO CC[N@H+](C)C[C@H]1CCN(c2ccc(C(=O)NC)cc2[N+](=O)[O-])C1 ZINC000078583679 353523103 /nfs/dbraw/zinc/52/31/03/353523103.db2.gz ZQJYWOQPFDPQLO-GFCCVEGCSA-N 1 0 320.393 1.732 20 5 DDBDRO COC1CC[NH+](CCNC(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000079999065 353586881 /nfs/dbraw/zinc/58/68/81/353586881.db2.gz WXRJRCXMKYKLKP-UHFFFAOYSA-N 1 0 321.377 1.744 20 5 DDBDRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])C1 ZINC000081128186 353653884 /nfs/dbraw/zinc/65/38/84/353653884.db2.gz CHJBGEOSVBZVHU-KFWWJZLASA-N 1 0 303.362 1.385 20 5 DDBDRO C[N@@H+](Cc1cccnc1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182251020 199410268 /nfs/dbraw/zinc/41/02/68/199410268.db2.gz VKRYPAIRIDIRFO-CQSZACIVSA-N 1 0 317.345 1.862 20 5 DDBDRO C[C@@H](CNC(=O)NCc1cccc([N+](=O)[O-])c1)[N@H+](C)C1CC1 ZINC000105199266 353934711 /nfs/dbraw/zinc/93/47/11/353934711.db2.gz WERRSDFBIMWHMK-NSHDSACASA-N 1 0 306.366 1.877 20 5 DDBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@@H]1CCCS1(=O)=O ZINC000131734041 354102485 /nfs/dbraw/zinc/10/24/85/354102485.db2.gz WENVQKWWZHNOCT-YIALFULDSA-N 1 0 310.375 1.775 20 5 DDBDRO CC(C)[NH2+]CCCNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000151751925 354186830 /nfs/dbraw/zinc/18/68/30/354186830.db2.gz LSNVGXVWOHFUHX-UHFFFAOYSA-N 1 0 305.338 1.589 20 5 DDBDRO [NH3+]CCCCNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000357229000 291022111 /nfs/dbraw/zinc/02/21/11/291022111.db2.gz UTHQKIJQWDQBJX-UHFFFAOYSA-N 1 0 303.322 1.249 20 5 DDBDRO CCOc1ccc(C(=O)N2CC[C@@H]([NH3+])C[C@H]2C)cc1[N+](=O)[O-] ZINC000154219404 354204679 /nfs/dbraw/zinc/20/46/79/354204679.db2.gz AIBZMWGWIDBMCF-ZYHUDNBSSA-N 1 0 307.350 1.945 20 5 DDBDRO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000237517481 354343017 /nfs/dbraw/zinc/34/30/17/354343017.db2.gz ZSGAGBBGMRRYHH-IUCAKERBSA-N 1 0 303.322 1.423 20 5 DDBDRO O=C(/C=C\c1ccccc1[N+](=O)[O-])N1CCC2(CC[NH2+]2)CC1 ZINC000493189150 234730459 /nfs/dbraw/zinc/73/04/59/234730459.db2.gz LUMUVHAGUIYFCA-WAYWQWQTSA-N 1 0 301.346 1.963 20 5 DDBDRO COc1cc(C(=O)N[C@H]2CC[NH2+]C2(C)C)c([N+](=O)[O-])cc1OC ZINC000307896020 354472518 /nfs/dbraw/zinc/47/25/18/354472518.db2.gz LCDRZSLSLMLXER-ZDUSSCGKSA-N 1 0 323.349 1.482 20 5 DDBDRO CC(C)c1ccc(C(=O)N[C@@H](CO)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000588866592 354944514 /nfs/dbraw/zinc/94/45/14/354944514.db2.gz NARHVQDZGOHHHW-GFCCVEGCSA-N 1 0 309.366 1.371 20 5 DDBDRO CN(CC[N@H+](C)C1CC1)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000589198449 354972741 /nfs/dbraw/zinc/97/27/41/354972741.db2.gz MWZPFVALOZDOKN-UHFFFAOYSA-N 1 0 321.377 1.892 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@H](CC(N)=O)C2)c1 ZINC000589517082 354998532 /nfs/dbraw/zinc/99/85/32/354998532.db2.gz TZQFXYPMBVDGCI-SNVBAGLBSA-N 1 0 321.333 1.079 20 5 DDBDRO COc1cc(CN2CC[C@H]3C[N@H+](C)C[C@H]32)c([N+](=O)[O-])cc1F ZINC000590011038 355040150 /nfs/dbraw/zinc/04/01/50/355040150.db2.gz GHOUWWSSBDIVIL-IINYFYTJSA-N 1 0 309.341 1.878 20 5 DDBDRO COc1ccc(C(=O)N2CC[C@H]([NH+](C)C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000590402712 355085651 /nfs/dbraw/zinc/08/56/51/355085651.db2.gz GRTUFXIXYJUADT-JQWIXIFHSA-N 1 0 307.350 1.768 20 5 DDBDRO CCC[NH2+]CCNC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000236820740 202025041 /nfs/dbraw/zinc/02/50/41/202025041.db2.gz QPBRVHNRNJXROU-UHFFFAOYSA-N 1 0 311.338 1.341 20 5 DDBDRO C[N@@H+]1C[C@@H]2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3Cl)[C@@H]2C1 ZINC000590446517 355099742 /nfs/dbraw/zinc/09/97/42/355099742.db2.gz WBWYIZYCOOEZEF-SMDDNHRTSA-N 1 0 323.780 1.953 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC[N@H+](C[C@H]3CCCO3)CC2)cn1 ZINC000590685650 355146649 /nfs/dbraw/zinc/14/66/49/355146649.db2.gz HYNULAHNTKCNMM-CQSZACIVSA-N 1 0 306.366 1.681 20 5 DDBDRO Cc1cc(NC(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000332595592 235167564 /nfs/dbraw/zinc/16/75/64/235167564.db2.gz BQRZJPBIHIGZMJ-NWDGAFQWSA-N 1 0 304.350 1.976 20 5 DDBDRO CC[NH+]1CCN([C@H]2CCN(c3ncc([N+](=O)[O-])cc3F)C2)CC1 ZINC000591146482 355254513 /nfs/dbraw/zinc/25/45/13/355254513.db2.gz BJAZBVLCTWWFNI-LBPRGKRZSA-N 1 0 323.372 1.345 20 5 DDBDRO CC(C)C[C@H](C[NH3+])NC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000591351686 355295931 /nfs/dbraw/zinc/29/59/31/355295931.db2.gz VYNHHDZABVQWLP-GFCCVEGCSA-N 1 0 324.381 1.646 20 5 DDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000591353347 355296564 /nfs/dbraw/zinc/29/65/64/355296564.db2.gz XHNRKZJBXVIWSW-TZMCWYRMSA-N 1 0 318.377 1.531 20 5 DDBDRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(c2ncc([N+](=O)[O-])s2)CC1 ZINC000591446047 355313161 /nfs/dbraw/zinc/31/31/61/355313161.db2.gz OCSQIFNDTOTRCG-PWSUYJOCSA-N 1 0 312.395 1.774 20 5 DDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000591448438 355313391 /nfs/dbraw/zinc/31/33/91/355313391.db2.gz HRUPHTCIGYOPTL-XUJVJEKNSA-N 1 0 318.377 1.606 20 5 DDBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000591447818 355313779 /nfs/dbraw/zinc/31/37/79/355313779.db2.gz AGGGTGJPAVALPU-BZPMIXESSA-N 1 0 318.377 1.606 20 5 DDBDRO C[C@H](C[C@H]1CCCO1)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000591734391 355374757 /nfs/dbraw/zinc/37/47/57/355374757.db2.gz SMFZUNCPFFIDRV-HZSPNIEDSA-N 1 0 324.377 1.882 20 5 DDBDRO C[C@@H]1C[C@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CS1 ZINC000591771013 355381980 /nfs/dbraw/zinc/38/19/80/355381980.db2.gz JPTFAXFPRJJYON-NTZNESFSSA-N 1 0 312.391 1.818 20 5 DDBDRO COc1ccc(CC(=O)N2CCC[C@H](C)[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000591676550 355360179 /nfs/dbraw/zinc/36/01/79/355360179.db2.gz WYSNIRUSAURUBQ-SMDDNHRTSA-N 1 0 321.377 1.732 20 5 DDBDRO CCC[C@@](C)([NH3+])C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000592276970 355551422 /nfs/dbraw/zinc/55/14/22/355551422.db2.gz KFJSFFYQWWEFEY-CQSZACIVSA-N 1 0 309.370 1.472 20 5 DDBDRO CN(CCC[NH3+])C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000592299302 355554145 /nfs/dbraw/zinc/55/41/45/355554145.db2.gz WZLZNXNZFMAYTO-UHFFFAOYSA-N 1 0 304.306 1.269 20 5 DDBDRO CC1(C)[C@H](O)C[C@H]1[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000592432481 355581928 /nfs/dbraw/zinc/58/19/28/355581928.db2.gz KHHSWRWCGOXPAE-CHWSQXEVSA-N 1 0 307.350 1.672 20 5 DDBDRO C[C@H]1CN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@H](C)[NH2+]1 ZINC000592427706 355580687 /nfs/dbraw/zinc/58/06/87/355580687.db2.gz RKONEVOKSPDUEB-QWRGUYRKSA-N 1 0 307.350 1.548 20 5 DDBDRO Nc1c(C(=O)N[C@H]2CC[NH2+]C23CCCC3)cccc1[N+](=O)[O-] ZINC000592571157 355633270 /nfs/dbraw/zinc/63/32/70/355633270.db2.gz STKOYRIXQPNFCW-LBPRGKRZSA-N 1 0 304.350 1.582 20 5 DDBDRO CCCN(C(=O)CCn1cc([N+](=O)[O-])cn1)[C@H]1CC[N@H+](C)C1 ZINC000592830309 355705849 /nfs/dbraw/zinc/70/58/49/355705849.db2.gz CSPWISRYVJKJMR-LBPRGKRZSA-N 1 0 309.370 1.124 20 5 DDBDRO CCCN(C(=O)CCn1cc([N+](=O)[O-])nc1C)[C@@H]1CC[N@H+](C)C1 ZINC000592831447 355707357 /nfs/dbraw/zinc/70/73/57/355707357.db2.gz MMQODIRDNHIOOR-CYBMUJFWSA-N 1 0 323.397 1.433 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](CCO)C2CCC2)c1 ZINC000593025088 355772707 /nfs/dbraw/zinc/77/27/07/355772707.db2.gz OPRPVTUBWMCFNP-UHFFFAOYSA-N 1 0 308.334 1.728 20 5 DDBDRO C[NH+]1CCC2(CC1)CN(C(=O)c1ccc([N+](=O)[O-])cc1)CCO2 ZINC000592898341 355733916 /nfs/dbraw/zinc/73/39/16/355733916.db2.gz GHOKGMWAMIVMMS-UHFFFAOYSA-N 1 0 319.361 1.532 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000593903622 356049718 /nfs/dbraw/zinc/04/97/18/356049718.db2.gz IISLAMIOLZMUTA-KGLIPLIRSA-N 1 0 319.361 1.750 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)nccc2N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000594603135 356261701 /nfs/dbraw/zinc/26/17/01/356261701.db2.gz KTNIOQNXNNKBMC-QWHCGFSZSA-N 1 0 314.345 1.398 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCc2c(nnn2C)C1 ZINC000594515597 356241386 /nfs/dbraw/zinc/24/13/86/356241386.db2.gz OFGNEWXUIVHGMW-LBPRGKRZSA-N 1 0 301.350 1.679 20 5 DDBDRO CCC[N@H+](CC)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000080791375 192190723 /nfs/dbraw/zinc/19/07/23/192190723.db2.gz JFJKFWJHLGVCFG-UHFFFAOYSA-N 1 0 315.395 1.605 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCN1CCO[C@H](C)C1 ZINC000595012865 356372417 /nfs/dbraw/zinc/37/24/17/356372417.db2.gz PLRSZTIHVAKUHU-CHWSQXEVSA-N 1 0 323.393 1.975 20 5 DDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC1([NH3+])CCCC1 ZINC000595119787 356386097 /nfs/dbraw/zinc/38/60/97/356386097.db2.gz HIYYPFPWESOXMO-UHFFFAOYSA-N 1 0 313.379 1.453 20 5 DDBDRO COC[C@H](C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1)OC ZINC000595289038 356434620 /nfs/dbraw/zinc/43/46/20/356434620.db2.gz CHKBQQCHWPTULG-HNNXBMFYSA-N 1 0 309.366 1.378 20 5 DDBDRO Cc1ccc([C@@H](C)[NH2+]CCN2C(=O)CN(C)C2=O)cc1[N+](=O)[O-] ZINC000595418998 356485419 /nfs/dbraw/zinc/48/54/19/356485419.db2.gz HSENMTMZHLWKDO-LLVKDONJSA-N 1 0 320.349 1.448 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H](C)c1nccn1C ZINC000595381996 356472836 /nfs/dbraw/zinc/47/28/36/356472836.db2.gz AWVANOVNXZUOPC-JTQLQIEISA-N 1 0 324.362 1.676 20 5 DDBDRO CC[N@@H+]1CCCN(CCn2cc([N+](=O)[O-])ccc2=O)[C@@H](C)C1 ZINC000595535544 356538267 /nfs/dbraw/zinc/53/82/67/356538267.db2.gz HBYFIXNVSDTIEY-ZDUSSCGKSA-N 1 0 308.382 1.173 20 5 DDBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000595608765 356575931 /nfs/dbraw/zinc/57/59/31/356575931.db2.gz VQSYUPMGLBXCAZ-LLVKDONJSA-N 1 0 305.313 1.848 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H](CO)C1CCC1 ZINC000595618256 356579686 /nfs/dbraw/zinc/57/96/86/356579686.db2.gz WYASGCORQUYWRO-GFCCVEGCSA-N 1 0 307.350 1.592 20 5 DDBDRO COc1ccc(C[N@@H+]2CC[C@H]3NC(=O)CC[C@H]3C2)cc1[N+](=O)[O-] ZINC000595744273 356632463 /nfs/dbraw/zinc/63/24/63/356632463.db2.gz VHQBGQPZIFARMN-QWHCGFSZSA-N 1 0 319.361 1.704 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCC(c3ccon3)CC2)c1 ZINC000595828808 356666779 /nfs/dbraw/zinc/66/67/79/356666779.db2.gz MXMFUEKJJDELOS-CYBMUJFWSA-N 1 0 321.337 1.020 20 5 DDBDRO C[NH2+]C[C@@H](C)NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000595982347 356735102 /nfs/dbraw/zinc/73/51/02/356735102.db2.gz ISOUTRGFTDFYOS-MRVPVSSYSA-N 1 0 304.306 1.186 20 5 DDBDRO C[C@]1(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC[NH2+]C1 ZINC000595992375 356738674 /nfs/dbraw/zinc/73/86/74/356738674.db2.gz PVILFYZYUOFKRQ-HNNXBMFYSA-N 1 0 315.333 1.262 20 5 DDBDRO Cc1ccc([C@H](C)NC(=O)[C@H]2CCO[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000595940872 356715193 /nfs/dbraw/zinc/71/51/93/356715193.db2.gz JDICVYOLOGWCIV-VHRBIJSZSA-N 1 0 307.350 1.444 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000596048885 356753010 /nfs/dbraw/zinc/75/30/10/356753010.db2.gz FUZLFHZGPHMPCV-ZDUSSCGKSA-N 1 0 313.379 1.242 20 5 DDBDRO COCC[NH+]1CCC(Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000596088954 356768251 /nfs/dbraw/zinc/76/82/51/356768251.db2.gz CSWSIHCWJYCSJO-UHFFFAOYSA-N 1 0 322.365 1.216 20 5 DDBDRO C[C@@H]1C[NH+](CCCCNc2cc[nH]c(=O)c2[N+](=O)[O-])C[C@@H](C)O1 ZINC000596155342 356794768 /nfs/dbraw/zinc/79/47/68/356794768.db2.gz ICEKCOSRLGJTEK-VXGBXAGGSA-N 1 0 324.381 1.997 20 5 DDBDRO C[NH+]1CCC([C@@H]2CCN(c3cc[nH]c(=O)c3[N+](=O)[O-])C2)CC1 ZINC000596173831 356801548 /nfs/dbraw/zinc/80/15/48/356801548.db2.gz AJZHOTLLDBTPCO-GFCCVEGCSA-N 1 0 306.366 1.864 20 5 DDBDRO C[NH+]1CCC([C@H]2CCN(c3ccc(N)c([N+](=O)[O-])n3)C2)CC1 ZINC000596175155 356802304 /nfs/dbraw/zinc/80/23/04/356802304.db2.gz PZAQEVRAPUBTSO-LBPRGKRZSA-N 1 0 305.382 1.740 20 5 DDBDRO NC(=O)c1cc(N2CC[C@@H]([NH+]3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000596125023 356782558 /nfs/dbraw/zinc/78/25/58/356782558.db2.gz WXUOWAQFUVLMSP-CYBMUJFWSA-N 1 0 318.377 1.758 20 5 DDBDRO C[C@H](CCNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)[NH+](C)C ZINC000596433898 356879723 /nfs/dbraw/zinc/87/97/23/356879723.db2.gz VMQLSBOPQCDUNK-SNVBAGLBSA-N 1 0 315.395 1.750 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC(CO)([NH2+]CC3CC3)CC2)nc1 ZINC000596266020 356837997 /nfs/dbraw/zinc/83/79/97/356837997.db2.gz RBDGWXGKBZQMDG-UHFFFAOYSA-N 1 0 306.366 1.321 20 5 DDBDRO Nc1ccc(N2CCC[C@H]([NH+]3CCOCC3)CC2)nc1[N+](=O)[O-] ZINC000596294516 356848562 /nfs/dbraw/zinc/84/85/62/356848562.db2.gz LNIOBUFHUFIMGN-LBPRGKRZSA-N 1 0 321.381 1.263 20 5 DDBDRO C[C@@H]1COCC[N@@H+]1C1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000597680586 357282299 /nfs/dbraw/zinc/28/22/99/357282299.db2.gz WYNCABKWTXFAGG-LLVKDONJSA-N 1 0 322.365 1.248 20 5 DDBDRO CCN(C(=O)CCn1nc(C)c([N+](=O)[O-])c1C)[C@H]1CC[N@H+](C)C1 ZINC000597946292 357394580 /nfs/dbraw/zinc/39/45/80/357394580.db2.gz NKFYEUQTEJYECG-ZDUSSCGKSA-N 1 0 323.397 1.351 20 5 DDBDRO O=C(c1cccc([N+](=O)[O-])c1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000598454588 357589515 /nfs/dbraw/zinc/58/95/15/357589515.db2.gz WZCONPTVWWWYCE-OAHLLOKOSA-N 1 0 319.361 1.266 20 5 DDBDRO COC(=O)c1ccnc(N[C@H]2CC[N@H+](CC3CC3)C2)c1[N+](=O)[O-] ZINC000598595181 357646749 /nfs/dbraw/zinc/64/67/49/357646749.db2.gz GUVMBIIUJKWFGM-NSHDSACASA-N 1 0 320.349 1.673 20 5 DDBDRO COc1cccc(C(=O)N2CC[NH2+][C@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000598575761 357637781 /nfs/dbraw/zinc/63/77/81/357637781.db2.gz XAXWQQNNUNTBOO-LBPRGKRZSA-N 1 0 307.350 1.673 20 5 DDBDRO COc1ccc(CC(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)cc1[N+](=O)[O-] ZINC000598671101 357680342 /nfs/dbraw/zinc/68/03/42/357680342.db2.gz YQNLAMCCDKSCAE-WBMJQRKESA-N 1 0 319.361 1.486 20 5 DDBDRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598915382 357758102 /nfs/dbraw/zinc/75/81/02/357758102.db2.gz KYPMEZBDTJHGNT-ZWNOBZJWSA-N 1 0 320.349 1.167 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000599591493 357985277 /nfs/dbraw/zinc/98/52/77/357985277.db2.gz UXEFSSXJIUOANJ-UWVGGRQHSA-N 1 0 308.338 1.865 20 5 DDBDRO COc1ccc(NC(=O)NCCOCCC[NH3+])cc1[N+](=O)[O-] ZINC000599605453 357990754 /nfs/dbraw/zinc/99/07/54/357990754.db2.gz WXLNFYLHWXUYQP-UHFFFAOYSA-N 1 0 312.326 1.090 20 5 DDBDRO C[NH2+]CCOCCN(C)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000599906308 358078039 /nfs/dbraw/zinc/07/80/39/358078039.db2.gz AKYRARLHUHBUIP-UHFFFAOYSA-N 1 0 324.381 1.015 20 5 DDBDRO Cc1c(CNC(=O)N(C)CCOCC[NH3+])cccc1[N+](=O)[O-] ZINC000599918294 358080177 /nfs/dbraw/zinc/08/01/77/358080177.db2.gz NSSUJONNPAIYDQ-UHFFFAOYSA-N 1 0 310.354 1.020 20 5 DDBDRO C[C@H]1CC[C@H](NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])C[NH2+]1 ZINC000599936865 358085500 /nfs/dbraw/zinc/08/55/00/358085500.db2.gz CKSBIZBSFIMKJF-AAEUAGOBSA-N 1 0 306.366 1.877 20 5 DDBDRO Cn1c(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)ccc1[N+](=O)[O-] ZINC000600472774 358234302 /nfs/dbraw/zinc/23/43/02/358234302.db2.gz QIGCQVQDHVAZKR-LBPRGKRZSA-N 1 0 306.366 1.680 20 5 DDBDRO COc1cc(CN[C@H]2CC[C@H](C)[NH2+]C2)c([N+](=O)[O-])cc1OC ZINC000600679635 358280956 /nfs/dbraw/zinc/28/09/56/358280956.db2.gz MKXUSRQFXWXVGH-JQWIXIFHSA-N 1 0 309.366 1.842 20 5 DDBDRO CC[C@@H]1[NH2+]CC[C@H]1NCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000600678537 358280306 /nfs/dbraw/zinc/28/03/06/358280306.db2.gz SMZZYXLFGZUBOQ-NWDGAFQWSA-N 1 0 309.366 1.842 20 5 DDBDRO CC(C)[C@@H]1C[NH2+]CCN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000600715090 358292500 /nfs/dbraw/zinc/29/25/00/358292500.db2.gz RILSLGAYESUCLY-HNNXBMFYSA-N 1 0 320.393 1.853 20 5 DDBDRO C[NH2+]CCOCCN(C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000600732383 358300051 /nfs/dbraw/zinc/30/00/51/358300051.db2.gz YMEYVKFNOXCRJR-UHFFFAOYSA-N 1 0 324.381 1.010 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CC[C@@H]1CCCOC1 ZINC000600743630 358304815 /nfs/dbraw/zinc/30/48/15/358304815.db2.gz KJQZHTQWRQTVRW-UONOGXRCSA-N 1 0 324.377 1.741 20 5 DDBDRO O=[N+]([O-])c1cc(F)cnc1N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000601113105 358406037 /nfs/dbraw/zinc/40/60/37/358406037.db2.gz CGIUFUXULVFBKL-WCQYABFASA-N 1 0 310.329 1.164 20 5 DDBDRO CCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447517676 283371205 /nfs/dbraw/zinc/37/12/05/283371205.db2.gz LWZUVJXAYLCMCZ-VXGBXAGGSA-N 1 0 309.370 1.391 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC(C[NH+](C)C)C1 ZINC000601424143 358546573 /nfs/dbraw/zinc/54/65/73/358546573.db2.gz ZJXFAAOGKMWVHX-UHFFFAOYSA-N 1 0 313.379 1.085 20 5 DDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000181113460 199254813 /nfs/dbraw/zinc/25/48/13/199254813.db2.gz FRMIYPPTLPLTKX-LBPRGKRZSA-N 1 0 318.377 1.735 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H]1CCC[C@H]1CCO ZINC000348148540 283390898 /nfs/dbraw/zinc/39/08/98/283390898.db2.gz IRLIDDZPLAYBJJ-QWHCGFSZSA-N 1 0 321.377 1.982 20 5 DDBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCCS(=O)(=O)CC2)cc1 ZINC000601998672 358770677 /nfs/dbraw/zinc/77/06/77/358770677.db2.gz IIUWOKNRBZTMFW-CYBMUJFWSA-N 1 0 312.391 1.694 20 5 DDBDRO C[NH+](C)[C@H]1C[C@H](NC(=O)COc2ccccc2[N+](=O)[O-])C1(C)C ZINC000602172146 358862233 /nfs/dbraw/zinc/86/22/33/358862233.db2.gz NRNKPLAFDNEFKC-KBPBESRZSA-N 1 0 321.377 1.819 20 5 DDBDRO C[NH+](C)CC1(C(=O)N[C@](C)(CO)c2cccc([N+](=O)[O-])c2)CC1 ZINC000602195439 358876568 /nfs/dbraw/zinc/87/65/68/358876568.db2.gz LMCFLWXVGYHHBV-OAHLLOKOSA-N 1 0 321.377 1.260 20 5 DDBDRO [NH3+]CCCNC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000602420201 358966167 /nfs/dbraw/zinc/96/61/67/358966167.db2.gz AFXQNDBLPAWRIZ-UHFFFAOYSA-N 1 0 302.128 1.436 20 5 DDBDRO CCN(CC[NH3+])C(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000602533766 359031813 /nfs/dbraw/zinc/03/18/13/359031813.db2.gz CHZPTBSGLNOPKD-UHFFFAOYSA-N 1 0 313.379 1.746 20 5 DDBDRO COCCN1CCC[C@H]1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602534689 359032081 /nfs/dbraw/zinc/03/20/81/359032081.db2.gz JGUFLMYEMAVPIG-INIZCTEOSA-N 1 0 307.394 1.838 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000602557222 359044390 /nfs/dbraw/zinc/04/43/90/359044390.db2.gz YJCPREGEAXGNTB-MNOVXSKESA-N 1 0 307.350 1.864 20 5 DDBDRO C[NH2+]CCOCCNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000602560116 359045854 /nfs/dbraw/zinc/04/58/54/359045854.db2.gz BTYBZDCUGLBJNF-UHFFFAOYSA-N 1 0 301.730 1.214 20 5 DDBDRO C[C@@H](CC[S@@](C)=O)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602566018 359047266 /nfs/dbraw/zinc/04/72/66/359047266.db2.gz CMKDDEAYMXZFJN-JLTPVHFHSA-N 1 0 311.363 1.983 20 5 DDBDRO CCC(=O)N[C@@H]1CCC[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602770893 359178288 /nfs/dbraw/zinc/17/82/88/359178288.db2.gz ZQTXUZYMLRJDHL-GFCCVEGCSA-N 1 0 309.370 1.090 20 5 DDBDRO CC(C)c1ccc(CN2CC[N@H+](C)C[C@H]2CO)cc1[N+](=O)[O-] ZINC000602716948 359145558 /nfs/dbraw/zinc/14/55/58/359145558.db2.gz VZYGJYPHRFUOEA-AWEZNQCLSA-N 1 0 307.394 1.827 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@H]([NH+]2CCCC2)C1 ZINC000602765325 359175793 /nfs/dbraw/zinc/17/57/93/359175793.db2.gz JBKGZCRRCZZNQT-AWEZNQCLSA-N 1 0 307.398 1.660 20 5 DDBDRO C[C@@H]1OCC[C@@H]1C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602768333 359176998 /nfs/dbraw/zinc/17/69/98/359176998.db2.gz UHDMBIHWGHSDAN-QWHCGFSZSA-N 1 0 306.366 1.537 20 5 DDBDRO COC[C@@H]([NH2+]CCn1c(C)ncc1[N+](=O)[O-])C1CCOCC1 ZINC000602885315 359269233 /nfs/dbraw/zinc/26/92/33/359269233.db2.gz TVYVNUONARETNC-CYBMUJFWSA-N 1 0 312.370 1.131 20 5 DDBDRO Cn1cc(C[N@@H+]2CCC[C@H](n3ccnn3)CC2)c([N+](=O)[O-])n1 ZINC000602891251 359274043 /nfs/dbraw/zinc/27/40/43/359274043.db2.gz GXUGTXGFKWZRFU-LBPRGKRZSA-N 1 0 305.342 1.147 20 5 DDBDRO C[N@@H+]1CCN(C(=O)NCc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000603431022 359636003 /nfs/dbraw/zinc/63/60/03/359636003.db2.gz JJBNBJVQSHETAA-UHFFFAOYSA-N 1 0 306.366 1.830 20 5 DDBDRO COCCNC(=O)C1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000603445393 359640057 /nfs/dbraw/zinc/64/00/57/359640057.db2.gz MQHUKMVPDWQBQV-UHFFFAOYSA-N 1 0 321.377 1.569 20 5 DDBDRO C[C@H](NC(=O)Cc1ccccc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000604552483 359765556 /nfs/dbraw/zinc/76/55/56/359765556.db2.gz QTBWPCJYDURCFP-LBPRGKRZSA-N 1 0 305.378 1.984 20 5 DDBDRO COCC[C@@]1([NH2+]CCOc2cccc([N+](=O)[O-])c2)CCOC1 ZINC000618550997 363669270 /nfs/dbraw/zinc/66/92/70/363669270.db2.gz JQGTUIVRMXPDJY-OAHLLOKOSA-N 1 0 310.350 1.759 20 5 DDBDRO Cc1nn(CCC(=O)NC2(C[NH3+])CCCC2)c(C)c1[N+](=O)[O-] ZINC000237871951 202375225 /nfs/dbraw/zinc/37/52/25/202375225.db2.gz HQSNGSVLSBWWKG-UHFFFAOYSA-N 1 0 309.370 1.186 20 5 DDBDRO O=C(NCC[C@H]1CCC[NH2+]C1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000237879886 202377024 /nfs/dbraw/zinc/37/70/24/202377024.db2.gz ZMVDIVYJPJASPB-SNVBAGLBSA-N 1 0 317.349 1.591 20 5 DDBDRO C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1CC(C)(C)O ZINC000188688284 200287476 /nfs/dbraw/zinc/28/74/76/200287476.db2.gz OSJCNIZGLJEERF-GFCCVEGCSA-N 1 0 321.377 1.512 20 5 DDBDRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1Cc1cccc([N+](=O)[O-])c1 ZINC000189412223 200396670 /nfs/dbraw/zinc/39/66/70/200396670.db2.gz OQYCCHPAVWFUGG-ZDUSSCGKSA-N 1 0 307.394 1.872 20 5 DDBDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000359018716 299307689 /nfs/dbraw/zinc/30/76/89/299307689.db2.gz MVIHXQXZNOQYSK-VXGBXAGGSA-N 1 0 321.381 1.796 20 5 DDBDRO COc1ccc(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)cc1[N+](=O)[O-] ZINC000609383095 360302781 /nfs/dbraw/zinc/30/27/81/360302781.db2.gz IZNVBMPHZPZDAV-CYBMUJFWSA-N 1 0 319.361 1.818 20 5 DDBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000609399729 360304302 /nfs/dbraw/zinc/30/43/02/360304302.db2.gz MLENLWSTPZLRND-AWEZNQCLSA-N 1 0 318.377 1.878 20 5 DDBDRO CN1CCC([N@H+](CCO)CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000609284391 360288261 /nfs/dbraw/zinc/28/82/61/360288261.db2.gz TXJMNHXHKZTNRG-UHFFFAOYSA-N 1 0 307.394 1.526 20 5 DDBDRO CCN(CC(=O)N(C)C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611254546 360681536 /nfs/dbraw/zinc/68/15/36/360681536.db2.gz IGBJRXRKARHPEP-UHFFFAOYSA-N 1 0 323.349 1.276 20 5 DDBDRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2sccc2[N+](=O)[O-])CC1 ZINC000611413830 360714653 /nfs/dbraw/zinc/71/46/53/360714653.db2.gz ZDCIRLQOTITMGJ-LLVKDONJSA-N 1 0 324.406 1.399 20 5 DDBDRO CO[C@@H]1CCN(CCOc2cccc([N+](=O)[O-])c2)[C@@H](C[NH3+])C1 ZINC000359039824 299314358 /nfs/dbraw/zinc/31/43/58/299314358.db2.gz JNXJNAWNSZWZMA-ZIAGYGMSSA-N 1 0 309.366 1.412 20 5 DDBDRO O=[N+]([O-])c1ccc2ncnc(N3CC[NH+](CCCO)CC3)c2c1 ZINC000611711743 360802281 /nfs/dbraw/zinc/80/22/81/360802281.db2.gz YUNIFTKUSMNZFZ-UHFFFAOYSA-N 1 0 317.349 1.042 20 5 DDBDRO CC[NH+]1CCC(CNC(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000611597675 360774019 /nfs/dbraw/zinc/77/40/19/360774019.db2.gz ARFVEJBRRZVVKA-UHFFFAOYSA-N 1 0 307.354 1.265 20 5 DDBDRO O=C1NC(=O)C2(CCC([NH2+]Cc3ccccc3[N+](=O)[O-])CC2)N1 ZINC000272014230 209383693 /nfs/dbraw/zinc/38/36/93/209383693.db2.gz KIBNORKEVXZCFC-UHFFFAOYSA-N 1 0 318.333 1.205 20 5 DDBDRO COc1ccc(CC(=O)N2CC[C@H](C)[C@H]([NH3+])[C@@H]2C)cc1[N+](=O)[O-] ZINC000565994867 304108304 /nfs/dbraw/zinc/10/83/04/304108304.db2.gz GGQMJHBUSWOTSW-MMPTUQATSA-N 1 0 321.377 1.730 20 5 DDBDRO Cc1nn(C)c(C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000194913718 201311996 /nfs/dbraw/zinc/31/19/96/201311996.db2.gz WNJWEJQFEBYLFK-GFCCVEGCSA-N 1 0 323.397 1.487 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](CCO)C1CCOCC1 ZINC000275461291 212348557 /nfs/dbraw/zinc/34/85/57/212348557.db2.gz BWLGWJFJSMCASL-UHFFFAOYSA-N 1 0 310.350 1.577 20 5 DDBDRO CCC[C@H]1C[NH2+]CCN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000359225879 299364867 /nfs/dbraw/zinc/36/48/67/299364867.db2.gz UFLRTAVYXINXMT-LBPRGKRZSA-N 1 0 306.366 1.607 20 5 DDBDRO [NH3+]Cc1cc(C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)ccn1 ZINC000566249527 304133557 /nfs/dbraw/zinc/13/35/57/304133557.db2.gz VMANOIOGFZZYKK-UHFFFAOYSA-N 1 0 313.317 1.042 20 5 DDBDRO Cc1cc(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)cc([N+](=O)[O-])c1 ZINC000261742057 203106761 /nfs/dbraw/zinc/10/67/61/203106761.db2.gz ILWKIUMWFTYXTM-BETUJISGSA-N 1 0 303.362 1.975 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@H](C)C[C@H]1C[NH3+] ZINC000261878311 203142382 /nfs/dbraw/zinc/14/23/82/203142382.db2.gz TVLZBJIDJSOEOP-JQWIXIFHSA-N 1 0 309.370 1.076 20 5 DDBDRO C[C@H](CC[NH3+])NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000349984384 284126623 /nfs/dbraw/zinc/12/66/23/284126623.db2.gz DJNYQINELRSERP-RKDXNWHRSA-N 1 0 315.757 1.869 20 5 DDBDRO [NH3+]CC12CCC(CC1)CN2C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000566407204 304151158 /nfs/dbraw/zinc/15/11/58/304151158.db2.gz OJTAKZVKFNAHED-UHFFFAOYSA-N 1 0 319.361 1.704 20 5 DDBDRO CCCN(C(=O)c1cc([N+](=O)[O-])ccc1N)C1CC[NH2+]CC1 ZINC000262586593 203341437 /nfs/dbraw/zinc/34/14/37/203341437.db2.gz VOCVWIFDQVZRFW-UHFFFAOYSA-N 1 0 306.366 1.781 20 5 DDBDRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000262606727 203348316 /nfs/dbraw/zinc/34/83/16/203348316.db2.gz ZGLPHFSHTJEFLM-NXEZZACHSA-N 1 0 317.349 1.671 20 5 DDBDRO C[C@@H]([NH2+][C@@H](C)Cn1cccn1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000264836662 204195977 /nfs/dbraw/zinc/19/59/77/204195977.db2.gz FHIFJVCFYWSKBH-NWDGAFQWSA-N 1 0 317.349 1.797 20 5 DDBDRO [NH3+]C1CCC(OCC(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000566618141 304171642 /nfs/dbraw/zinc/17/16/42/304171642.db2.gz SWOSLJGUHGFWJB-UHFFFAOYSA-N 1 0 307.350 1.498 20 5 DDBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C(CO)CO)s1 ZINC000266171508 205157095 /nfs/dbraw/zinc/15/70/95/205157095.db2.gz RFDLJLNXZVXNEJ-UHFFFAOYSA-N 1 0 308.359 1.766 20 5 DDBDRO C[C@H]1c2ccsc2CC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266382012 205304388 /nfs/dbraw/zinc/30/43/88/205304388.db2.gz AYSUYPNZTOOVQW-JQWIXIFHSA-N 1 0 322.390 1.833 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000566679393 304175686 /nfs/dbraw/zinc/17/56/86/304175686.db2.gz UEMYMQTXUHJHKA-GZBFAFLISA-N 1 0 324.377 1.475 20 5 DDBDRO O=[N+]([O-])c1ccc(CN2CC[NH+](C[C@@H]3CCOC3)CC2)c(F)c1 ZINC000267401199 206039654 /nfs/dbraw/zinc/03/96/54/206039654.db2.gz FZWVQPYNMNKHJZ-ZDUSSCGKSA-N 1 0 323.368 1.888 20 5 DDBDRO C[C@@H](O)C[N@@H+]1CCN(CCc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000105824041 194137651 /nfs/dbraw/zinc/13/76/51/194137651.db2.gz VOFRVNBOCMZUAN-ZIAGYGMSSA-N 1 0 307.394 1.524 20 5 DDBDRO COC(=O)[C@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000339226008 250351984 /nfs/dbraw/zinc/35/19/84/250351984.db2.gz DLMMVQVNBYOBMI-NSHDSACASA-N 1 0 321.333 1.418 20 5 DDBDRO COc1ccc(CC(=O)N(C)CC[C@@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000567469505 304221588 /nfs/dbraw/zinc/22/15/88/304221588.db2.gz HHHGVKIHZRJCNL-CYBMUJFWSA-N 1 0 323.393 1.978 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](CC(N)=O)C(C)C ZINC000063483185 184282893 /nfs/dbraw/zinc/28/28/93/184282893.db2.gz LEYDHUZLAGXUOH-UHFFFAOYSA-N 1 0 322.365 1.428 20 5 DDBDRO C[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1N)[C@@H]1CCC[NH2+]C1 ZINC000269171091 207293592 /nfs/dbraw/zinc/29/35/92/207293592.db2.gz FMKCBZDZWLCABT-DTWKUNHWSA-N 1 0 310.329 1.434 20 5 DDBDRO C[NH+](C)C[C@H]1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000114147788 194635759 /nfs/dbraw/zinc/63/57/59/194635759.db2.gz BSOONKGZDWAATI-GFCCVEGCSA-N 1 0 307.350 1.384 20 5 DDBDRO CC[NH+](CC)C[C@H](C)NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000352438952 285051299 /nfs/dbraw/zinc/05/12/99/285051299.db2.gz TXMOCJUBOGVUHK-JTQLQIEISA-N 1 0 323.349 1.784 20 5 DDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]([NH3+])C2)cc1OC ZINC000157958961 197230159 /nfs/dbraw/zinc/23/01/59/197230159.db2.gz YCJXWZYFTXTSQK-SNVBAGLBSA-N 1 0 323.349 1.565 20 5 DDBDRO CC(C)C(=O)NCC[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000157498804 197192300 /nfs/dbraw/zinc/19/23/00/197192300.db2.gz PCJVMRFPBCKNCU-UHFFFAOYSA-N 1 0 309.366 1.678 20 5 DDBDRO C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000155392351 197050806 /nfs/dbraw/zinc/05/08/06/197050806.db2.gz OQRCQNIWMKXKQK-VXGBXAGGSA-N 1 0 307.350 1.525 20 5 DDBDRO O=C(c1n[nH]cc1[N+](=O)[O-])N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000120702505 195219177 /nfs/dbraw/zinc/21/91/77/195219177.db2.gz ZSQGOVOJFQXVTF-NSHDSACASA-N 1 0 307.354 1.266 20 5 DDBDRO CC(C)(O)C(C)(C)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000271614035 209059731 /nfs/dbraw/zinc/05/97/31/209059731.db2.gz KPIKCZILKWDRBH-LBPRGKRZSA-N 1 0 312.366 1.474 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000417175836 533221329 /nfs/dbraw/zinc/22/13/29/533221329.db2.gz JMBZNWDGRXYQIN-LLVKDONJSA-N 1 0 308.338 1.236 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CN[C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422718200 533222177 /nfs/dbraw/zinc/22/21/77/533222177.db2.gz PIEMKJNPXZSSRX-CVEARBPZSA-N 1 0 321.377 1.460 20 5 DDBDRO Cn1c(C(=O)NCC2(C[NH+](C)C)CCCC2)ccc1[N+](=O)[O-] ZINC000352823153 285321826 /nfs/dbraw/zinc/32/18/26/285321826.db2.gz MEYWEQSWQWADCN-UHFFFAOYSA-N 1 0 308.382 1.785 20 5 DDBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](CN)C1CC1 ZINC000414798983 533448702 /nfs/dbraw/zinc/44/87/02/533448702.db2.gz CXHDBHARIOVZSI-HZMBPMFUSA-N 1 0 306.366 1.639 20 5 DDBDRO COc1cc(C(=O)N2CCC[N@H+](C)CC2)c([N+](=O)[O-])cc1F ZINC000294409919 533517952 /nfs/dbraw/zinc/51/79/52/533517952.db2.gz QARCCAKRWKGESV-UHFFFAOYSA-N 1 0 311.313 1.520 20 5 DDBDRO COc1cc(C(=O)N[C@@H]2CCC[NH2+][C@H]2C)cc([N+](=O)[O-])c1C ZINC000423616313 533548199 /nfs/dbraw/zinc/54/81/99/533548199.db2.gz RWAZAQUNEMVERQ-CMPLNLGQSA-N 1 0 307.350 1.782 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H](O)Cn1ccnn1 ZINC000569081579 304334639 /nfs/dbraw/zinc/33/46/39/304334639.db2.gz CLZLJIVIVAWMJW-DGCLKSJQSA-N 1 0 305.338 1.206 20 5 DDBDRO CC[NH2+]CCCNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000569334853 304347741 /nfs/dbraw/zinc/34/77/41/304347741.db2.gz NRZJKJAKXIFZOP-UHFFFAOYSA-N 1 0 306.366 1.662 20 5 DDBDRO Cc1ccc(S(=O)(=O)N2CC[NH2+][C@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000440801437 292176006 /nfs/dbraw/zinc/17/60/06/292176006.db2.gz ALIUUAAPAJQYJC-GHMZBOCLSA-N 1 0 313.379 1.274 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC(C)(C)[NH+](C)C ZINC000360936533 299777045 /nfs/dbraw/zinc/77/70/45/299777045.db2.gz QBXQEPQOFVVOJC-UHFFFAOYSA-N 1 0 322.365 1.298 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@@](C)(C[NH3+])C1 ZINC000261651964 407570261 /nfs/dbraw/zinc/57/02/61/407570261.db2.gz HLXIXYRXNHGUBN-HNNXBMFYSA-N 1 0 306.366 1.512 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000068369196 406636724 /nfs/dbraw/zinc/63/67/24/406636724.db2.gz HJCFPSSDWGSHHR-CYBMUJFWSA-N 1 0 320.349 1.182 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)[C@H]2CC[NH2+]C2)cc1C ZINC000071310237 406837530 /nfs/dbraw/zinc/83/75/30/406837530.db2.gz NILKIVYQXASKJV-NSHDSACASA-N 1 0 313.379 1.194 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC1CC[NH2+]CC1 ZINC000044509115 407025339 /nfs/dbraw/zinc/02/53/39/407025339.db2.gz RUMXCNUAYNVZCD-UHFFFAOYSA-N 1 0 313.379 1.181 20 5 DDBDRO C[NH+](C)CCCNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000078535516 407032316 /nfs/dbraw/zinc/03/23/16/407032316.db2.gz WCVPZSAXGPAFJZ-UHFFFAOYSA-N 1 0 317.349 1.462 20 5 DDBDRO C[NH+](C)[C@H](CNC(=O)COc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000079694496 407061451 /nfs/dbraw/zinc/06/14/51/407061451.db2.gz LXFCDOJMGMWUPA-CQSZACIVSA-N 1 0 307.350 1.430 20 5 DDBDRO O=C(NCCCC[NH+]1CCOCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000046750377 407062944 /nfs/dbraw/zinc/06/29/44/407062944.db2.gz DXFZQNNBBJWDEN-UHFFFAOYSA-N 1 0 322.365 1.829 20 5 DDBDRO C[C@H]1C[C@H](N(C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000123191410 407322324 /nfs/dbraw/zinc/32/23/24/407322324.db2.gz LUXHWLWXCDWBQL-SMDDNHRTSA-N 1 0 320.393 1.608 20 5 DDBDRO C[NH+](C)C1CCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC1 ZINC000102488357 407323534 /nfs/dbraw/zinc/32/35/34/407323534.db2.gz IZHGUEIHMBRCDK-UHFFFAOYSA-N 1 0 309.370 1.079 20 5 DDBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000067298489 407270385 /nfs/dbraw/zinc/27/03/85/407270385.db2.gz QHBPDEFNJHUYKR-NSHDSACASA-N 1 0 307.350 1.818 20 5 DDBDRO CN(CC[NH+]1CCCC1)C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000103116560 407331697 /nfs/dbraw/zinc/33/16/97/407331697.db2.gz IHMITUXINBYAIE-UHFFFAOYSA-N 1 0 309.370 1.081 20 5 DDBDRO Cc1nn(C)c(C(=O)NCC[N@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000098104769 407306142 /nfs/dbraw/zinc/30/61/42/407306142.db2.gz XPICEYVYJPLXJZ-SNVBAGLBSA-N 1 0 309.370 1.098 20 5 DDBDRO Cc1ccccc1[C@@H](C)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000098124413 407306548 /nfs/dbraw/zinc/30/65/48/407306548.db2.gz BCCPCNZHMOLJSF-OCCSQVGLSA-N 1 0 304.350 1.811 20 5 DDBDRO Cc1c(C(=O)N[C@H]2CCC[NH2+]C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000123932551 407342970 /nfs/dbraw/zinc/34/29/70/407342970.db2.gz TVRHXKIBNJYOBX-VIFPVBQESA-N 1 0 308.294 1.293 20 5 DDBDRO C[C@@H]1CCC[N@H+](CCNC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000107632171 407377486 /nfs/dbraw/zinc/37/74/86/407377486.db2.gz NBTYALDRBNCRQO-CYBMUJFWSA-N 1 0 321.377 1.822 20 5 DDBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N[C@H]1CC[NH2+]C1 ZINC000126908068 407423669 /nfs/dbraw/zinc/42/36/69/407423669.db2.gz WSDKHGSKFCYESQ-JTQLQIEISA-N 1 0 313.741 1.495 20 5 DDBDRO C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])CCN1CCOCC1 ZINC000255558765 407473089 /nfs/dbraw/zinc/47/30/89/407473089.db2.gz WDAYHAZRIKAWCK-XQRVVYSFSA-N 1 0 305.378 1.872 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000127976290 407485176 /nfs/dbraw/zinc/48/51/76/407485176.db2.gz DGDFCKQLALWUNT-ZDUSSCGKSA-N 1 0 321.381 1.044 20 5 DDBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000185725314 407486788 /nfs/dbraw/zinc/48/67/88/407486788.db2.gz ULPXXBLXQSENTR-KOLCDFICSA-N 1 0 308.338 1.108 20 5 DDBDRO CC[N@H+](C)CCNC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000112925727 407447193 /nfs/dbraw/zinc/44/71/93/407447193.db2.gz OJHYPUBBUMRDPW-UHFFFAOYSA-N 1 0 308.382 1.855 20 5 DDBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H]2CC(=O)N(C)C2)cc1[N+](=O)[O-] ZINC000271172146 407553196 /nfs/dbraw/zinc/55/31/96/407553196.db2.gz UKOQQQDONJIREQ-ZYHUDNBSSA-N 1 0 307.350 1.875 20 5 DDBDRO CC(C)N(CC[NH+](C)C)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000151855308 407513017 /nfs/dbraw/zinc/51/30/17/407513017.db2.gz ZHPWVZXWNCZKHT-UHFFFAOYSA-N 1 0 309.366 1.772 20 5 DDBDRO CC[C@@H](O)[C@@H]1CCCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000114188013 407550265 /nfs/dbraw/zinc/55/02/65/407550265.db2.gz FXFZWVBSSBXKJX-DZGCQCFKSA-N 1 0 321.377 1.819 20 5 DDBDRO C[NH2+][C@@H]1CCCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000261743762 407597094 /nfs/dbraw/zinc/59/70/94/407597094.db2.gz KXLKWOHBGFHFDJ-GFCCVEGCSA-N 1 0 306.366 1.526 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NCC[N@H+](C)C(C)C ZINC000171161979 407615148 /nfs/dbraw/zinc/61/51/48/407615148.db2.gz KUXWNUSDRNFLNH-UHFFFAOYSA-N 1 0 324.381 1.743 20 5 DDBDRO C[C@H]([NH3+])CC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000261860078 407644505 /nfs/dbraw/zinc/64/45/05/407644505.db2.gz POQIVDRCZPDPRY-NSHDSACASA-N 1 0 307.350 1.702 20 5 DDBDRO O=C(COc1cccc([N+](=O)[O-])c1)NCC[C@@H]1CCC[NH2+]C1 ZINC000152605802 407659090 /nfs/dbraw/zinc/65/90/90/407659090.db2.gz CTBWURJBQNERRQ-LBPRGKRZSA-N 1 0 307.350 1.480 20 5 DDBDRO Cn1cc([N+](=O)[O-])c(C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)n1 ZINC000271399401 407667110 /nfs/dbraw/zinc/66/71/10/407667110.db2.gz MHXREANGCIMDDF-GFCCVEGCSA-N 1 0 321.381 1.419 20 5 DDBDRO O=C(COc1ccccc1[N+](=O)[O-])N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186496312 407684113 /nfs/dbraw/zinc/68/41/13/407684113.db2.gz VCKZWZSVOKSIML-GFCCVEGCSA-N 1 0 319.361 1.717 20 5 DDBDRO CC[NH+](CC)[C@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])CC(C)C ZINC000152903766 407712448 /nfs/dbraw/zinc/71/24/48/407712448.db2.gz IMUCKVAKTAKJPA-NSHDSACASA-N 1 0 311.386 1.804 20 5 DDBDRO C[NH2+]C1CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000179139882 407734646 /nfs/dbraw/zinc/73/46/46/407734646.db2.gz UJQURJFXMIVUOL-UHFFFAOYSA-N 1 0 307.350 1.574 20 5 DDBDRO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000237386185 407816012 /nfs/dbraw/zinc/81/60/12/407816012.db2.gz YUOZKQZTOGGPCI-VXGBXAGGSA-N 1 0 306.366 1.735 20 5 DDBDRO Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000237748147 407842580 /nfs/dbraw/zinc/84/25/80/407842580.db2.gz JTBWQQNVVMSLQG-LLVKDONJSA-N 1 0 313.379 1.181 20 5 DDBDRO O=C(C1CC[NH2+]CC1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000238106077 407890694 /nfs/dbraw/zinc/89/06/94/407890694.db2.gz LRNMAECOALQJOU-UHFFFAOYSA-N 1 0 318.377 1.243 20 5 DDBDRO CC[N@H+](CCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000118121041 407894107 /nfs/dbraw/zinc/89/41/07/407894107.db2.gz CSHTZRZYACTLHS-UHFFFAOYSA-N 1 0 320.349 1.134 20 5 DDBDRO CCC[C@](C)([NH3+])C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000262720943 407908667 /nfs/dbraw/zinc/90/86/67/407908667.db2.gz ZOXFJDXJUBNQLO-NHYWBVRUSA-N 1 0 321.381 1.520 20 5 DDBDRO Cc1cc(S(=O)(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000262752910 407916079 /nfs/dbraw/zinc/91/60/79/407916079.db2.gz GYJHYHQWXDAIRO-CMPLNLGQSA-N 1 0 313.379 1.180 20 5 DDBDRO COc1cc(C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000268162937 407923419 /nfs/dbraw/zinc/92/34/19/407923419.db2.gz ILSBHFSSDNCDSJ-MFKMUULPSA-N 1 0 319.361 1.816 20 5 DDBDRO Cc1c(NC(=O)c2n[nH]c3c2C[NH2+]CC3)cccc1[N+](=O)[O-] ZINC000188200035 407923801 /nfs/dbraw/zinc/92/38/01/407923801.db2.gz NUBBIFHHMQVRDT-UHFFFAOYSA-N 1 0 301.306 1.524 20 5 DDBDRO CC[N@@H+]1CC[C@H](N(C)CCn2cc([N+](=O)[O-])ccc2=O)[C@@H](C)C1 ZINC000245603911 408026072 /nfs/dbraw/zinc/02/60/72/408026072.db2.gz XKLIMMWUUVNKCH-ZFWWWQNUSA-N 1 0 322.409 1.419 20 5 DDBDRO C[C@@]1([NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CCO[C@@H]1C1CC1 ZINC000273089672 408052259 /nfs/dbraw/zinc/05/22/59/408052259.db2.gz SGROLSBFJMCHEM-GDBMZVCRSA-N 1 0 319.361 1.741 20 5 DDBDRO C[C@@H](c1cccc(O)c1)[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000245452279 407988159 /nfs/dbraw/zinc/98/81/59/407988159.db2.gz QFZOFCAXHORIPK-XHDPSFHLSA-N 1 0 320.349 1.551 20 5 DDBDRO Cc1nn(CCC(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000272604627 408004768 /nfs/dbraw/zinc/00/47/68/408004768.db2.gz RJKNJPLYXNFJSL-UWVGGRQHSA-N 1 0 309.370 1.007 20 5 DDBDRO C[NH+](C)C1CN(c2ccc([N+](=O)[O-])cc2N2CCOC2=O)C1 ZINC000273187473 408097788 /nfs/dbraw/zinc/09/77/88/408097788.db2.gz CCEZBVWTVQGZBM-UHFFFAOYSA-N 1 0 306.322 1.302 20 5 DDBDRO CCC[N@@H+]1CC[C@@H](CNc2ncc(C(=O)OC)cc2[N+](=O)[O-])C1 ZINC000190169645 408182336 /nfs/dbraw/zinc/18/23/36/408182336.db2.gz FONRFWMXFAYBPV-NSHDSACASA-N 1 0 322.365 1.920 20 5 DDBDRO C[NH2+]CCCNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000121333703 408186133 /nfs/dbraw/zinc/18/61/33/408186133.db2.gz ZZGYIOAOWZYSBP-UHFFFAOYSA-N 1 0 316.155 1.697 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H](C)[C@@H]1CO ZINC000190405237 408237843 /nfs/dbraw/zinc/23/78/43/408237843.db2.gz ROEFFTLLCMCLJV-ABAIWWIYSA-N 1 0 321.377 1.935 20 5 DDBDRO C[NH+](C)CCCNC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000182597099 408202489 /nfs/dbraw/zinc/20/24/89/408202489.db2.gz CYBNVAUNVCGZQZ-CQSZACIVSA-N 1 0 320.349 1.156 20 5 DDBDRO O=C(NC[C@@H]1CCC[NH2+]C1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000269125778 408229199 /nfs/dbraw/zinc/22/91/99/408229199.db2.gz DBCHXCCPCFATKC-SNVBAGLBSA-N 1 0 321.333 1.095 20 5 DDBDRO CCCNC(=O)[C@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176221237 408314593 /nfs/dbraw/zinc/31/45/93/408314593.db2.gz SHWWDMWFIMONNO-LBPRGKRZSA-N 1 0 309.370 1.030 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)C[C@@H]1CCC[C@H]1O ZINC000246751975 408332806 /nfs/dbraw/zinc/33/28/06/408332806.db2.gz OOWAGRPRUYSLNB-SWLSCSKDSA-N 1 0 321.377 1.935 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000269394927 408294210 /nfs/dbraw/zinc/29/42/10/408294210.db2.gz MRUDOKGZYJESRZ-NSHDSACASA-N 1 0 323.397 1.855 20 5 DDBDRO C[NH+](C)[C@@H]1CCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000264005788 408343508 /nfs/dbraw/zinc/34/35/08/408343508.db2.gz IWRBFDFKUWHPOV-CQSZACIVSA-N 1 0 316.361 1.712 20 5 DDBDRO O=C([C@H]1CCCC[NH2+]1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000169186320 162184070 /nfs/dbraw/zinc/18/40/70/162184070.db2.gz BSVKOPACJLWSRI-DGCLKSJQSA-N 1 0 319.365 1.145 20 5 DDBDRO CN(CC(=O)N1CCC([NH+](C)C)CC1)c1ccccc1[N+](=O)[O-] ZINC000173251797 162328694 /nfs/dbraw/zinc/32/86/94/162328694.db2.gz OWDIKMPHUPSEMD-UHFFFAOYSA-N 1 0 320.393 1.584 20 5 DDBDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000173541947 162347460 /nfs/dbraw/zinc/34/74/60/162347460.db2.gz GJWRKIAQVCEZEK-OAHLLOKOSA-N 1 0 321.377 1.364 20 5 DDBDRO COCCOCCOCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000274419850 408399362 /nfs/dbraw/zinc/39/93/62/408399362.db2.gz QGHHIBCGUSKKRD-UHFFFAOYSA-N 1 0 312.366 1.754 20 5 DDBDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000176714154 408422097 /nfs/dbraw/zinc/42/20/97/408422097.db2.gz RSEYAPWAGBUPLH-NSHDSACASA-N 1 0 306.366 1.591 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)NCCC2CC[NH+](C)CC2)n1 ZINC000191793465 408493236 /nfs/dbraw/zinc/49/32/36/408493236.db2.gz JJMMRBQPHHHAIG-UHFFFAOYSA-N 1 0 309.370 1.273 20 5 DDBDRO Cc1nn(CCC(=O)N2CCC[C@H]([NH+](C)C)C2)c(C)c1[N+](=O)[O-] ZINC000264464610 408501548 /nfs/dbraw/zinc/50/15/48/408501548.db2.gz ZIKRCJSBJXZGIR-ZDUSSCGKSA-N 1 0 323.397 1.351 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](CCO)C(C)C ZINC000177034652 408502100 /nfs/dbraw/zinc/50/21/00/408502100.db2.gz YHDGLFUAYQULMA-UHFFFAOYSA-N 1 0 309.366 1.935 20 5 DDBDRO [NH3+]C[C@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000192027890 408531497 /nfs/dbraw/zinc/53/14/97/408531497.db2.gz JPSUJEIWACZTJA-NSHDSACASA-N 1 0 313.379 1.391 20 5 DDBDRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000191647029 408464235 /nfs/dbraw/zinc/46/42/35/408464235.db2.gz XXCHNHFZLGYWLR-NWDGAFQWSA-N 1 0 321.381 1.510 20 5 DDBDRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)C[C@H]12 ZINC000248621839 408601290 /nfs/dbraw/zinc/60/12/90/408601290.db2.gz NBERQTNIEKNCIX-KPXOXKRLSA-N 1 0 315.333 1.280 20 5 DDBDRO CCc1n[nH]c(C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000265202226 408578847 /nfs/dbraw/zinc/57/88/47/408578847.db2.gz REIWBFUYTHTKIP-SNVBAGLBSA-N 1 0 309.370 1.294 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NCCC[NH+]1CCCCC1 ZINC000192674446 408630532 /nfs/dbraw/zinc/63/05/32/408630532.db2.gz YUTFFAIUSCMHBA-UHFFFAOYSA-N 1 0 306.366 1.904 20 5 DDBDRO COCC[N@@H+]1CC[C@@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000265443820 408654863 /nfs/dbraw/zinc/65/48/63/408654863.db2.gz ZZLILLFOZUOFOH-GFCCVEGCSA-N 1 0 322.365 1.745 20 5 DDBDRO C[C@@H](O)C[NH+]1CCN(c2ccc([N+](=O)[O-])c3cccnc32)CC1 ZINC000275760695 408670925 /nfs/dbraw/zinc/67/09/25/408670925.db2.gz FNCVQJLXXYEIOE-GFCCVEGCSA-N 1 0 316.361 1.646 20 5 DDBDRO CC[C@H]1C[N@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C[C@@H]1O ZINC000270855085 408710161 /nfs/dbraw/zinc/71/01/61/408710161.db2.gz HGYXFZWRMWGFDJ-FZMZJTMJSA-N 1 0 310.350 1.685 20 5 DDBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000251665686 408784221 /nfs/dbraw/zinc/78/42/21/408784221.db2.gz LGRKVBSWWMXUKK-MNOVXSKESA-N 1 0 322.365 1.546 20 5 DDBDRO CO[C@@H]1C[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC[C@H]1C ZINC000251655667 408784240 /nfs/dbraw/zinc/78/42/40/408784240.db2.gz HTRFWMIFWMOBLC-XJKCOSOUSA-N 1 0 324.377 1.691 20 5 DDBDRO COC[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000265756982 408772273 /nfs/dbraw/zinc/77/22/73/408772273.db2.gz GITOOJMKOJQUNZ-NEPJUHHUSA-N 1 0 307.350 1.890 20 5 DDBDRO C[N@H+](C[C@H](O)Cn1cc(-c2ccccc2[N+](=O)[O-])cn1)C1CC1 ZINC000290802662 408835610 /nfs/dbraw/zinc/83/56/10/408835610.db2.gz QAMMDGPRACTLPS-AWEZNQCLSA-N 1 0 316.361 1.913 20 5 DDBDRO CC[C@@H](CO)[NH+]1CCN(c2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC000276421487 408853324 /nfs/dbraw/zinc/85/33/24/408853324.db2.gz IQKMDHXFORTLFB-LBPRGKRZSA-N 1 0 320.393 1.456 20 5 DDBDRO CCOC[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C(C)C ZINC000286073077 408918262 /nfs/dbraw/zinc/91/82/62/408918262.db2.gz JRSVCAYAWYVUKT-CYBMUJFWSA-N 1 0 309.366 1.844 20 5 DDBDRO O=[N+]([O-])c1ccc2[nH]c(NCCCC[NH+]3CCOCC3)nc2c1 ZINC000277482124 408948674 /nfs/dbraw/zinc/94/86/74/408948674.db2.gz CPBJAKVASZEQCQ-UHFFFAOYSA-N 1 0 319.365 1.995 20 5 DDBDRO COc1ccc(CNC(=O)CC[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000292028521 408965058 /nfs/dbraw/zinc/96/50/58/408965058.db2.gz GJCKJEBXVSXQAL-GFCCVEGCSA-N 1 0 307.350 1.752 20 5 DDBDRO CC(C)([NH2+]CCCOC(=O)NC(N)=O)c1ccccc1[N+](=O)[O-] ZINC000292097990 408979437 /nfs/dbraw/zinc/97/94/37/408979437.db2.gz HNOJRTALUSJIKZ-UHFFFAOYSA-N 1 0 324.337 1.615 20 5 DDBDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)COc3ccccc3[N+](=O)[O-])C2)C1 ZINC000292111185 408981852 /nfs/dbraw/zinc/98/18/52/408981852.db2.gz FVUZRMLNNBOQGI-MRXNPFEDSA-N 1 0 319.361 1.528 20 5 DDBDRO Cc1c(C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000277672548 408989585 /nfs/dbraw/zinc/98/95/85/408989585.db2.gz UTDVNBURHSUPHP-PRHODGIISA-N 1 0 322.321 1.539 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@H](C[NH+](C)C)C2)n1 ZINC000287317272 409017484 /nfs/dbraw/zinc/01/74/84/409017484.db2.gz MAVDUURXLZXBET-SNVBAGLBSA-N 1 0 308.338 1.164 20 5 DDBDRO COC(=O)c1cc(C)nc(NC[C@H](C)[N@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000287831232 409099652 /nfs/dbraw/zinc/09/96/52/409099652.db2.gz KSLNIWWPIUBWHD-JTQLQIEISA-N 1 0 322.365 1.979 20 5 DDBDRO C[NH+](C)C[C@@H](NC(=O)c1cc([N+](=O)[O-])n[nH]1)c1ccc(F)cc1 ZINC000287965089 409123361 /nfs/dbraw/zinc/12/33/61/409123361.db2.gz ARFNSYIFUNCUML-GFCCVEGCSA-N 1 0 321.312 1.490 20 5 DDBDRO CN(CCN1CCOC(C)(C)C1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000279292000 409186789 /nfs/dbraw/zinc/18/67/89/409186789.db2.gz LOAWVPDLDLHFPA-UHFFFAOYSA-N 1 0 321.377 1.778 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NC2CC[NH+](C)CC2)c1 ZINC000283423855 409154825 /nfs/dbraw/zinc/15/48/25/409154825.db2.gz IVCGYSCWZIEFOY-UHFFFAOYSA-N 1 0 307.350 1.818 20 5 DDBDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000261669553 163681823 /nfs/dbraw/zinc/68/18/23/163681823.db2.gz GWUFGFSDXRFEPA-VXGBXAGGSA-N 1 0 306.366 1.593 20 5 DDBDRO COc1cc(C(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000262533515 163845429 /nfs/dbraw/zinc/84/54/29/163845429.db2.gz PZLCNJSQVOOCSM-CMPLNLGQSA-N 1 0 307.350 1.660 20 5 DDBDRO O=C(CNc1ccccc1[N+](=O)[O-])NCC[N@H+]1CC=CCC1 ZINC000280213286 409270664 /nfs/dbraw/zinc/27/06/64/409270664.db2.gz KUGLJSVMVKDTCZ-UHFFFAOYSA-N 1 0 304.350 1.385 20 5 DDBDRO CCC(=O)c1ccc(NC[C@](C)(O)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000280654121 409396420 /nfs/dbraw/zinc/39/64/20/409396420.db2.gz FVCAFTNNMWTLMY-HNNXBMFYSA-N 1 0 309.366 1.912 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1CCOC1(C)C ZINC000295166916 409354554 /nfs/dbraw/zinc/35/45/54/409354554.db2.gz GALSIHFCGARVGU-CYBMUJFWSA-N 1 0 307.350 1.999 20 5 DDBDRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000295176227 409356573 /nfs/dbraw/zinc/35/65/73/409356573.db2.gz GVKBTHPGUFNIEJ-JYAVWHMHSA-N 1 0 316.361 1.143 20 5 DDBDRO CC(C)C[NH+]1CCC(Nc2nccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000290555430 409443188 /nfs/dbraw/zinc/44/31/88/409443188.db2.gz RAAUVOOGBXEFAQ-UHFFFAOYSA-N 1 0 321.381 1.621 20 5 DDBDRO C[C@H]1CCCC[N@@H+]1CCCNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290555349 409443599 /nfs/dbraw/zinc/44/35/99/409443599.db2.gz QXSWNAIFIVJIOC-NSHDSACASA-N 1 0 321.381 1.765 20 5 DDBDRO C[NH+](C)C[C@@](C)(O)CNc1ccc([N+](=O)[O-])c2ncccc12 ZINC000318495510 164031607 /nfs/dbraw/zinc/03/16/07/164031607.db2.gz NMPCPKUUAYICKU-HNNXBMFYSA-N 1 0 304.350 1.868 20 5 DDBDRO CC[C@H](C)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000318794677 164033045 /nfs/dbraw/zinc/03/30/45/164033045.db2.gz ZXMHEYXTZYHEQL-JTQLQIEISA-N 1 0 307.354 1.128 20 5 DDBDRO Cc1nn(C)c(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000408130123 164236889 /nfs/dbraw/zinc/23/68/89/164236889.db2.gz SVISMLNEOMLWSX-MWLCHTKSSA-N 1 0 309.370 1.191 20 5 DDBDRO C[C@@H]1CN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)CC[N@@H+](C2CC2)C1 ZINC000295435931 409481436 /nfs/dbraw/zinc/48/14/36/409481436.db2.gz VGXOQQZNLRBISC-NSHDSACASA-N 1 0 319.361 1.857 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)C[C@@H]21 ZINC000408463578 164339377 /nfs/dbraw/zinc/33/93/77/164339377.db2.gz GJEABXPGXXOGLW-BMIGLBTASA-N 1 0 314.345 1.852 20 5 DDBDRO C[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000342431192 409625019 /nfs/dbraw/zinc/62/50/19/409625019.db2.gz RJVICLHKDOJXOI-YJLKIPLNSA-N 1 0 310.375 1.631 20 5 DDBDRO COc1c(C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000331520068 409593765 /nfs/dbraw/zinc/59/37/65/409593765.db2.gz NVPNIHAVQHHCIW-GXFFZTMASA-N 1 0 319.361 1.816 20 5 DDBDRO C[C@@H](CCO)[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000304301925 409596119 /nfs/dbraw/zinc/59/61/19/409596119.db2.gz OPUQFOSEZTYACD-NSHDSACASA-N 1 0 304.350 1.856 20 5 DDBDRO [NH3+]CC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)C(F)(F)F ZINC000307824124 409781549 /nfs/dbraw/zinc/78/15/49/409781549.db2.gz RYFHEFBLWMXHIC-VIFPVBQESA-N 1 0 309.219 1.743 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2C[C@@H]2c2ccccc2)c1 ZINC000314786270 409829833 /nfs/dbraw/zinc/82/98/33/409829833.db2.gz JISQMTGXQNWZGQ-KFWWJZLASA-N 1 0 302.334 1.298 20 5 DDBDRO [NH3+]CC1CCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000297131865 409820273 /nfs/dbraw/zinc/82/02/73/409820273.db2.gz HKJNKILHHJSHIX-UHFFFAOYSA-N 1 0 316.361 1.816 20 5 DDBDRO C[C@@H]([NH3+])C[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000320698814 409906745 /nfs/dbraw/zinc/90/67/45/409906745.db2.gz RLRYJDLNEGYYAV-SFYZADRCSA-N 1 0 321.786 1.652 20 5 DDBDRO CN1CC[NH+](CCC(C)(C)NC(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000354511784 409907683 /nfs/dbraw/zinc/90/76/83/409907683.db2.gz NSVFNPHUOUIKOL-UHFFFAOYSA-N 1 0 323.397 1.069 20 5 DDBDRO COCCCNC(=O)[C@@H](C)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000338383396 409949672 /nfs/dbraw/zinc/94/96/72/409949672.db2.gz RGMVDNZMULMPLJ-CYBMUJFWSA-N 1 0 323.393 1.610 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000332267393 410027486 /nfs/dbraw/zinc/02/74/86/410027486.db2.gz WFAYDROHHOJYDL-NEPJUHHUSA-N 1 0 304.350 1.976 20 5 DDBDRO C[N@H+](C[C@@H](O)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1)C1CC1 ZINC000357457932 410051403 /nfs/dbraw/zinc/05/14/03/410051403.db2.gz WSCRCDGBGZIOJR-MRXNPFEDSA-N 1 0 316.361 1.913 20 5 DDBDRO CC[N@@H+]1CC[C@H](CNC(=O)c2cccc([N+](=O)[O-])c2OC)C1 ZINC000354791074 410087724 /nfs/dbraw/zinc/08/77/24/410087724.db2.gz NURQQYQTHUEEAE-LLVKDONJSA-N 1 0 307.350 1.675 20 5 DDBDRO COc1cc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c([N+](=O)[O-])cc1OC ZINC000346840934 410189215 /nfs/dbraw/zinc/18/92/15/410189215.db2.gz GJFLINIBJVSNQG-WCFLWFBJSA-N 1 0 321.377 1.781 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)C1(CCO)CCOCC1 ZINC000355009683 410237254 /nfs/dbraw/zinc/23/72/54/410237254.db2.gz HSUZVYARSVKLDF-UHFFFAOYSA-N 1 0 324.377 1.967 20 5 DDBDRO CCC[N@H+](CC)C[C@H](C)Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000357776431 410241212 /nfs/dbraw/zinc/24/12/12/410241212.db2.gz VMGPUQCFVKOXRS-JTQLQIEISA-N 1 0 309.370 1.621 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])c(=O)n(CC[C@H]2CCCC[N@@H+]2C)c1 ZINC000298505819 410263458 /nfs/dbraw/zinc/26/34/58/410263458.db2.gz KSAFKPCFOSDHRG-GFCCVEGCSA-N 1 0 323.349 1.418 20 5 DDBDRO CC[N@H+](CCO)CCNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000346966864 410283073 /nfs/dbraw/zinc/28/30/73/410283073.db2.gz GWYOWFGTSMCFKD-UHFFFAOYSA-N 1 0 323.393 1.303 20 5 DDBDRO COc1ccc(CNC(=O)N[C@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000351780930 410231283 /nfs/dbraw/zinc/23/12/83/410231283.db2.gz BVVOHEOBDYYLOI-SNVBAGLBSA-N 1 0 310.354 1.353 20 5 DDBDRO CCCC[N@H+](CCO)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000298709687 410360027 /nfs/dbraw/zinc/36/00/27/410360027.db2.gz YVYHSJZEQARVHC-ZDUSSCGKSA-N 1 0 312.366 1.429 20 5 DDBDRO NC(=O)CC[C@H]1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000339708510 410406639 /nfs/dbraw/zinc/40/66/39/410406639.db2.gz MLPXYUYANZHDBX-CYBMUJFWSA-N 1 0 321.377 1.951 20 5 DDBDRO CC[NH+](CC)CCNC(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000298942430 410457268 /nfs/dbraw/zinc/45/72/68/410457268.db2.gz QJIGEBJOUIFRPY-UHFFFAOYSA-N 1 0 324.381 1.744 20 5 DDBDRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000299121874 410532306 /nfs/dbraw/zinc/53/23/06/410532306.db2.gz VCXYSSMMDPPWCK-LBPRGKRZSA-N 1 0 323.397 1.418 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N(C)CCC[NH+]2CCCC2)n1 ZINC000343750016 410667874 /nfs/dbraw/zinc/66/78/74/410667874.db2.gz PPJDZUZEABTKCC-UHFFFAOYSA-N 1 0 309.370 1.369 20 5 DDBDRO C[C@H](CC[NH3+])NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000336813459 410635077 /nfs/dbraw/zinc/63/50/77/410635077.db2.gz CNQGBVNAQGVBFB-SSDOTTSWSA-N 1 0 307.759 1.264 20 5 DDBDRO C[C@@H]1C[NH+](CCCNC(=O)c2ccc([N+](=O)[O-])n2C)C[C@@H](C)O1 ZINC000330535288 410755845 /nfs/dbraw/zinc/75/58/45/410755845.db2.gz JDLRAVUEVMZUJK-VXGBXAGGSA-N 1 0 324.381 1.162 20 5 DDBDRO Cc1nc(NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)ccc1[N+](=O)[O-] ZINC000301664704 410767494 /nfs/dbraw/zinc/76/74/94/410767494.db2.gz WAVNFUIILLUCDN-GFCCVEGCSA-N 1 0 321.381 1.298 20 5 DDBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000330579871 410793330 /nfs/dbraw/zinc/79/33/30/410793330.db2.gz IHOMCXCZHJJCMT-QWHCGFSZSA-N 1 0 320.393 1.948 20 5 DDBDRO CCc1nn(C)c(N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000301928575 410834056 /nfs/dbraw/zinc/83/40/56/410834056.db2.gz ITWBEZSZLFXIID-AAEUAGOBSA-N 1 0 307.398 1.811 20 5 DDBDRO Cn1nc([N+](=O)[O-])cc1C(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000356145605 410861799 /nfs/dbraw/zinc/86/17/99/410861799.db2.gz AEQUNZQVRLQLQY-CYBMUJFWSA-N 1 0 323.397 1.569 20 5 DDBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000359783584 410876445 /nfs/dbraw/zinc/87/64/45/410876445.db2.gz HVAGPFLYJSXNGN-LLVKDONJSA-N 1 0 311.386 1.661 20 5 DDBDRO CC(C)([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccs1 ZINC000348310090 410912605 /nfs/dbraw/zinc/91/26/05/410912605.db2.gz AERRQRMNXVXFDV-NSHDSACASA-N 1 0 310.379 1.739 20 5 DDBDRO NC(=O)c1cccc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000341722585 411052684 /nfs/dbraw/zinc/05/26/84/411052684.db2.gz OLOKNUXTFQUVRJ-MNOVXSKESA-N 1 0 304.350 1.732 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)N2CCC[C@@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000331229620 411031146 /nfs/dbraw/zinc/03/11/46/411031146.db2.gz ZQVZXPGNUWEFGC-SNVBAGLBSA-N 1 0 309.370 1.608 20 5 DDBDRO Cc1ccc(C[NH2+]C[C@H]2CCCCS2(=O)=O)cc1[N+](=O)[O-] ZINC000344369974 411096695 /nfs/dbraw/zinc/09/66/95/411096695.db2.gz XPGYLFJQUGYZEE-CYBMUJFWSA-N 1 0 312.391 1.960 20 5 DDBDRO CS[C@@H]1CN(c2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000271628938 209075465 /nfs/dbraw/zinc/07/54/65/209075465.db2.gz NINLTHNWWAMWJU-QWHCGFSZSA-N 1 0 324.406 1.176 20 5 DDBDRO C[NH+](C)CCNC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000133728520 196332563 /nfs/dbraw/zinc/33/25/63/196332563.db2.gz XKZPGJFNCVNPJF-UHFFFAOYSA-N 1 0 308.382 1.778 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000417185506 225237706 /nfs/dbraw/zinc/23/77/06/225237706.db2.gz SARAKGYTWKEJBZ-GWCFXTLKSA-N 1 0 322.365 1.482 20 5 DDBDRO COc1ccc(CNC(=O)N[C@H](C[NH3+])CC(C)C)cc1[N+](=O)[O-] ZINC000417192134 225238933 /nfs/dbraw/zinc/23/89/33/225238933.db2.gz KDCSBVDNVYYCJA-LBPRGKRZSA-N 1 0 324.381 1.776 20 5 DDBDRO C[C@@H]([NH3+])[C@H](C)NC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000418690641 225864593 /nfs/dbraw/zinc/86/45/93/225864593.db2.gz DAOOZBLJNNOKQW-ZJUUUORDSA-N 1 0 308.338 1.103 20 5 DDBDRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000419338961 226124316 /nfs/dbraw/zinc/12/43/16/226124316.db2.gz ZPGZCUBKBBVYRX-VXGBXAGGSA-N 1 0 311.357 1.621 20 5 DDBDRO [NH3+]C[C@@H]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000420289911 226454286 /nfs/dbraw/zinc/45/42/86/226454286.db2.gz ILSFKEYMCUSDKH-VIFPVBQESA-N 1 0 312.757 1.467 20 5 DDBDRO O=c1cc2c(n[nH]1)CC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C2 ZINC000360416683 418429173 /nfs/dbraw/zinc/42/91/73/418429173.db2.gz LEUPJUBUZCQEKH-UHFFFAOYSA-N 1 0 300.318 1.691 20 5 DDBDRO Cn1cc(N2CC[C@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)cn1 ZINC000374247649 418510507 /nfs/dbraw/zinc/51/05/07/418510507.db2.gz MPEYDMIHMDAUNZ-ZDUSSCGKSA-N 1 0 301.350 1.697 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@]2(CC[NH2+]C2)C1 ZINC000360573043 418468598 /nfs/dbraw/zinc/46/85/98/418468598.db2.gz ZFJLBRFTZQNYIO-INIZCTEOSA-N 1 0 318.377 1.527 20 5 DDBDRO CCn1c(C)nc([N+](=O)[O-])c1N(C)CCCN1CC[NH+](C)CC1 ZINC000360902997 418543684 /nfs/dbraw/zinc/54/36/84/418543684.db2.gz ANPKSZIDFPIOIX-UHFFFAOYSA-N 1 0 324.429 1.193 20 5 DDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CC[N@H+](C[C@@H](C)O)C[C@H]1C ZINC000361006284 418563982 /nfs/dbraw/zinc/56/39/82/418563982.db2.gz CHBKAXGVKDLERS-GHMZBOCLSA-N 1 0 311.386 1.011 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@@H]1C1CC[NH2+]CC1 ZINC000361077416 418578835 /nfs/dbraw/zinc/57/88/35/418578835.db2.gz BELQKTPWSYPYEU-TZMCWYRMSA-N 1 0 319.361 1.721 20 5 DDBDRO CC1(NC(=O)CCOc2ccccc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000193353860 222151289 /nfs/dbraw/zinc/15/12/89/222151289.db2.gz LBEQQMCNYIWTAP-UHFFFAOYSA-N 1 0 307.350 1.622 20 5 DDBDRO C[C@H]1[NH2+]CCC[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000193451641 222155576 /nfs/dbraw/zinc/15/55/76/222155576.db2.gz DQWSKYONVCYBDG-SFYZADRCSA-N 1 0 305.381 1.075 20 5 DDBDRO C[C@@H]1CCC[N@@H+]1C1CCN(C(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC000367563093 418610800 /nfs/dbraw/zinc/61/08/00/418610800.db2.gz KEGFLVVEXWMUCH-LLVKDONJSA-N 1 0 321.381 1.417 20 5 DDBDRO COC(=O)[C@]12CCC[C@H]1C[N@H+](Cc1c([N+](=O)[O-])ncn1C)C2 ZINC000367796404 418636086 /nfs/dbraw/zinc/63/60/86/418636086.db2.gz RIMFLMHQOWPCCW-HZMBPMFUSA-N 1 0 308.338 1.103 20 5 DDBDRO O=C(/C=C/c1cccc([N+](=O)[O-])c1)N[C@H]1CC12CC[NH2+]CC2 ZINC000368127914 418693490 /nfs/dbraw/zinc/69/34/90/418693490.db2.gz YFRCJBHNCLULNR-NNTXTVRGSA-N 1 0 301.346 1.866 20 5 DDBDRO Cc1c(Cl)cc(S(=O)(=O)N[C@@H](C)[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000381489059 418729109 /nfs/dbraw/zinc/72/91/09/418729109.db2.gz PRAZRNUQEHFCEM-YUMQZZPRSA-N 1 0 321.786 1.571 20 5 DDBDRO COc1cc(C(=O)N[C@H]2CCC[C@@H]2C[NH3+])cc([N+](=O)[O-])c1C ZINC000422849233 227217999 /nfs/dbraw/zinc/21/79/99/227217999.db2.gz BQITWYUBYAYYCJ-PWSUYJOCSA-N 1 0 307.350 1.769 20 5 DDBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000371544174 418799472 /nfs/dbraw/zinc/79/94/72/418799472.db2.gz DPLVYQAWWQXUDN-ZFWWWQNUSA-N 1 0 303.362 1.690 20 5 DDBDRO Nc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000371869266 418822100 /nfs/dbraw/zinc/82/21/00/418822100.db2.gz FVSUALXLVNJQPD-NSHDSACASA-N 1 0 319.365 1.272 20 5 DDBDRO CN(CC(=O)N1[C@@H]2CC[C@H]1C[C@H]([NH3+])C2)c1ccccc1[N+](=O)[O-] ZINC000372445483 418870931 /nfs/dbraw/zinc/87/09/31/418870931.db2.gz JRLWSIOAOYITDP-XYYAHUGASA-N 1 0 318.377 1.512 20 5 DDBDRO O=[N+]([O-])c1cnn([C@@H]2CCC[N@@H+](C[C@H](O)CC(F)(F)F)C2)c1 ZINC000365287942 418850256 /nfs/dbraw/zinc/85/02/56/418850256.db2.gz GYNWSRFEGBRMGS-MWLCHTKSSA-N 1 0 322.287 1.742 20 5 DDBDRO O=[N+]([O-])c1cccnc1N1CC[NH+](CCCCCCO)CC1 ZINC000298032067 227790502 /nfs/dbraw/zinc/79/05/02/227790502.db2.gz GCTBIHVLYQVZDZ-UHFFFAOYSA-N 1 0 308.382 1.665 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H](CO)CC1CCC1 ZINC000571920813 304495472 /nfs/dbraw/zinc/49/54/72/304495472.db2.gz JCYPWWDPHKMGNS-ZIAGYGMSSA-N 1 0 324.377 1.475 20 5 DDBDRO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCC[C@@H]3CCO)n2)c1 ZINC000426200169 419401127 /nfs/dbraw/zinc/40/11/27/419401127.db2.gz VZTAEKORWPZOBX-GFCCVEGCSA-N 1 0 318.333 1.992 20 5 DDBDRO C[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CCCC[C@H]1O ZINC000426208546 419404925 /nfs/dbraw/zinc/40/49/25/419404925.db2.gz DCHAZUAHTWZTGM-NUEKZKHPSA-N 1 0 324.377 1.570 20 5 DDBDRO CN(Cc1cc([N+](=O)[O-])cc2c1OCOC2)C[C@H]1CCC[N@@H+]1C ZINC000421003172 419442013 /nfs/dbraw/zinc/44/20/13/419442013.db2.gz MWACXAADCICEON-CQSZACIVSA-N 1 0 321.377 1.987 20 5 DDBDRO CON1CCC([NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000421209701 419522127 /nfs/dbraw/zinc/52/21/27/419522127.db2.gz OVVCUGBBZPYYBS-NSHDSACASA-N 1 0 322.365 1.537 20 5 DDBDRO CC[N@@H+](Cc1occc1C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000412024956 419566816 /nfs/dbraw/zinc/56/68/16/419566816.db2.gz GUWXLXFFMFKWEU-ZDUSSCGKSA-N 1 0 308.338 1.576 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000421704626 419685951 /nfs/dbraw/zinc/68/59/51/419685951.db2.gz PHLOZSZMLBFASN-LBPRGKRZSA-N 1 0 309.370 1.042 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000428999784 228776921 /nfs/dbraw/zinc/77/69/21/228776921.db2.gz VZANGKIVQPLRCZ-QWRGUYRKSA-N 1 0 307.350 1.721 20 5 DDBDRO CC[N@H+](CCO)CCNC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000421866782 419750615 /nfs/dbraw/zinc/75/06/15/419750615.db2.gz OHYNEDHQJUIZLZ-UHFFFAOYSA-N 1 0 309.366 1.256 20 5 DDBDRO [NH3+]C[C@H](NC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1)C1CC1 ZINC000418404370 419778065 /nfs/dbraw/zinc/77/80/65/419778065.db2.gz QKFAJXWPFMPRQD-ZDUSSCGKSA-N 1 0 320.349 1.236 20 5 DDBDRO CC[C@@H]1CN(CCNC(=O)c2c(C)cccc2[N+](=O)[O-])CCO1 ZINC000428071881 419806572 /nfs/dbraw/zinc/80/65/72/419806572.db2.gz RCQASXXSOLAVAV-CYBMUJFWSA-N 1 0 321.377 1.744 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@](C)(O)CC[NH+](C)C ZINC000422095555 419841922 /nfs/dbraw/zinc/84/19/22/419841922.db2.gz JMWBUPRMZGCDNK-MRXNPFEDSA-N 1 0 323.393 1.644 20 5 DDBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000418549464 419869265 /nfs/dbraw/zinc/86/92/65/419869265.db2.gz MRGQHABBWOKHLV-CQSZACIVSA-N 1 0 320.393 1.921 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])c(N2C[C@@H](C)[N@@H+](CCO)C[C@H]2C)n1 ZINC000418994792 420040958 /nfs/dbraw/zinc/04/09/58/420040958.db2.gz IEJFYMGDEXZMRF-CHWSQXEVSA-N 1 0 308.382 1.498 20 5 DDBDRO Cc1c(NC(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000415567870 420114223 /nfs/dbraw/zinc/11/42/23/420114223.db2.gz QMGZFMMTMJKQMK-ZJUUUORDSA-N 1 0 320.349 1.051 20 5 DDBDRO COC(=O)c1cc(NC(=O)NC(C)(C)C[NH3+])c(C)c([N+](=O)[O-])c1 ZINC000415591174 420118885 /nfs/dbraw/zinc/11/88/85/420118885.db2.gz ADJFHBRHOFEFND-UHFFFAOYSA-N 1 0 324.337 1.549 20 5 DDBDRO C[C@H]([NH3+])[C@H]1CCCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000430549472 420134716 /nfs/dbraw/zinc/13/47/16/420134716.db2.gz XUPOKQQAHXXOBS-AVGNSLFASA-N 1 0 320.393 1.981 20 5 DDBDRO O=C([C@@H]1C[NH2+]CCO1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000423720528 420140682 /nfs/dbraw/zinc/14/06/82/420140682.db2.gz HLQPJPOJBUWIDE-AWEZNQCLSA-N 1 0 305.334 1.074 20 5 DDBDRO CCC([NH3+])(CC)CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000415473853 420081311 /nfs/dbraw/zinc/08/13/11/420081311.db2.gz IABHVQNTRFDNBL-UHFFFAOYSA-N 1 0 322.365 1.475 20 5 DDBDRO COC(=O)c1cc(C(=O)N[C@@H]2CCC[NH2+][C@@H]2C)cc([N+](=O)[O-])c1 ZINC000423593075 420092428 /nfs/dbraw/zinc/09/24/28/420092428.db2.gz FQDMFXKAQNFTIS-NOZJJQNGSA-N 1 0 321.333 1.252 20 5 DDBDRO CC(C)[C@](C)(CN)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000420301702 420191624 /nfs/dbraw/zinc/19/16/24/420191624.db2.gz IUFZPBOSIQMUFZ-HNNXBMFYSA-N 1 0 308.382 1.886 20 5 DDBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000430924115 420206644 /nfs/dbraw/zinc/20/66/44/420206644.db2.gz HJRJQFWAENAXCV-TUAOUCFPSA-N 1 0 306.366 1.604 20 5 DDBDRO [NH3+][C@H]1CCCC[C@H]1CC(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000423823153 420208653 /nfs/dbraw/zinc/20/86/53/420208653.db2.gz HMCLUGRYNAUOQB-FZMZJTMJSA-N 1 0 318.377 1.782 20 5 DDBDRO O=C(CCN(C1CC1)[C@@H]1CC[NH2+]C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000420325408 420210809 /nfs/dbraw/zinc/21/08/09/420210809.db2.gz WDJHCQSQIQCRSY-OAHLLOKOSA-N 1 0 318.377 1.750 20 5 DDBDRO CO[C@@H](C[NH3+])CC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000423730414 420147059 /nfs/dbraw/zinc/14/70/59/420147059.db2.gz WQWJWASKXFKJNN-CQSZACIVSA-N 1 0 307.350 1.450 20 5 DDBDRO [NH3+]C[C@H]1CCC[C@H]1Nc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000420209130 420151226 /nfs/dbraw/zinc/15/12/26/420151226.db2.gz VIJNXCJPARQVLT-ZYHUDNBSSA-N 1 0 303.322 2.184 20 5 DDBDRO C[C@H]1C[C@H](C[NH3+])CN1c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000420211838 420152755 /nfs/dbraw/zinc/15/27/55/420152755.db2.gz FWGNFMRXWYJERP-VHSXEESVSA-N 1 0 303.322 1.818 20 5 DDBDRO CCOC(=O)c1ccnc(N2CC[C@H]3C[NH2+]C[C@@H]3C2)c1[N+](=O)[O-] ZINC000420257291 420171210 /nfs/dbraw/zinc/17/12/10/420171210.db2.gz JRXAGUMDSYDXAA-WDEREUQCSA-N 1 0 320.349 1.212 20 5 DDBDRO C[NH2+][C@@H]1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000430658564 420171861 /nfs/dbraw/zinc/17/18/61/420171861.db2.gz XVYIEMWEFYXHSJ-LLVKDONJSA-N 1 0 322.365 1.226 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000420270535 420174336 /nfs/dbraw/zinc/17/43/36/420174336.db2.gz ZEXKRFWJCDAWRQ-RYUDHWBXSA-N 1 0 319.361 1.736 20 5 DDBDRO CCCc1n[nH]c(C(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)c1[N+](=O)[O-] ZINC000423982722 420289284 /nfs/dbraw/zinc/28/92/84/420289284.db2.gz JYXUIJJXOBJBCT-YMTOWFKASA-N 1 0 309.370 1.327 20 5 DDBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420369068 420241004 /nfs/dbraw/zinc/24/10/04/420241004.db2.gz BJCKKAYQLJGNOG-UPJWGTAASA-N 1 0 320.393 1.839 20 5 DDBDRO C[NH2+]CCCN(C)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000420390877 420255963 /nfs/dbraw/zinc/25/59/63/420255963.db2.gz RMASMKMBIGLLOI-LLVKDONJSA-N 1 0 324.381 1.472 20 5 DDBDRO C[NH2+]CCCN(C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000420393255 420259203 /nfs/dbraw/zinc/25/92/03/420259203.db2.gz XGKHVFGAGVWFBS-UHFFFAOYSA-N 1 0 314.773 1.728 20 5 DDBDRO COc1ccc(OCCN2CC[C@H]([NH3+])[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000430942888 420217714 /nfs/dbraw/zinc/21/77/14/420217714.db2.gz FECVLBHKDMLODU-AAEUAGOBSA-N 1 0 309.366 1.651 20 5 DDBDRO C[C@@H]1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000424003256 420301516 /nfs/dbraw/zinc/30/15/16/420301516.db2.gz DMLHILQUWNFITL-CHWSQXEVSA-N 1 0 320.393 1.840 20 5 DDBDRO C[NH2+]C[C@@H]1CCCN1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000417757577 420469759 /nfs/dbraw/zinc/46/97/59/420469759.db2.gz BFLSFGKSYXFQOD-ZDUSSCGKSA-N 1 0 306.366 1.531 20 5 DDBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CC[NH2+]CC1 ZINC000417723829 420461344 /nfs/dbraw/zinc/46/13/44/420461344.db2.gz YAQUHVSIZVQNQG-UHFFFAOYSA-N 1 0 306.366 1.532 20 5 DDBDRO CNC(=O)c1ccc(N[C@H]2CCC[C@@H]2[NH+](C)C)c([N+](=O)[O-])c1 ZINC000439658351 420529766 /nfs/dbraw/zinc/52/97/66/420529766.db2.gz MZBYZYNSCPFMGW-AAEUAGOBSA-N 1 0 306.366 1.849 20 5 DDBDRO CC1(C)CCC[N@H+](CCNc2ccc3ncc([N+](=O)[O-])n3n2)C1 ZINC000443966225 420753993 /nfs/dbraw/zinc/75/39/93/420753993.db2.gz SMQZZPDZDTUZHF-UHFFFAOYSA-N 1 0 318.381 2.171 20 5 DDBDRO C[C@H](CNc1cc(CN2CCOCC2)ccc1[N+](=O)[O-])[NH+](C)C ZINC000447803056 420802237 /nfs/dbraw/zinc/80/22/37/420802237.db2.gz PXXAOUWXLNDBOQ-CYBMUJFWSA-N 1 0 322.409 1.789 20 5 DDBDRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000493316467 420816300 /nfs/dbraw/zinc/81/63/00/420816300.db2.gz HBAYMGHZMFRGEG-CEBVKENUSA-N 1 0 307.325 1.861 20 5 DDBDRO Nc1c(C(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)cc(F)cc1[N+](=O)[O-] ZINC000449644113 421043148 /nfs/dbraw/zinc/04/31/48/421043148.db2.gz IVCUFCORZYZMKS-WCBMZHEXSA-N 1 0 310.329 1.563 20 5 DDBDRO Nc1c(C(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)cc(F)cc1[N+](=O)[O-] ZINC000449644106 421043234 /nfs/dbraw/zinc/04/32/34/421043234.db2.gz IVCUFCORZYZMKS-PSASIEDQSA-N 1 0 310.329 1.563 20 5 DDBDRO CCCC[N@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])c(NC)n1 ZINC000455669591 421051371 /nfs/dbraw/zinc/05/13/71/421051371.db2.gz VFJDORFYKOKZIO-UHFFFAOYSA-N 1 0 309.370 1.493 20 5 DDBDRO [NH3+]CC[C@@H](NC(=O)CSc1ccc([N+](=O)[O-])cc1)C(F)F ZINC000449608145 421037837 /nfs/dbraw/zinc/03/78/37/421037837.db2.gz FJVQQXHAVXPYFB-SNVBAGLBSA-N 1 0 319.333 1.786 20 5 DDBDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])c(NC)n2)C[C@@H]1C ZINC000456006772 421088845 /nfs/dbraw/zinc/08/88/45/421088845.db2.gz CCMFUHDDPZHRBU-QWRGUYRKSA-N 1 0 321.381 1.586 20 5 DDBDRO O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)c1c[nH]nc1[N+](=O)[O-] ZINC000549370669 421500116 /nfs/dbraw/zinc/50/01/16/421500116.db2.gz ZYFYAQRZTCAJNI-GFCCVEGCSA-N 1 0 321.381 1.845 20 5 DDBDRO O=[N+]([O-])c1cccc2ncnc(NC[C@H]3CC[N@@H+](C4CC4)C3)c21 ZINC000566530357 421606751 /nfs/dbraw/zinc/60/67/51/421606751.db2.gz PRMPWZMAXKUPMJ-LLVKDONJSA-N 1 0 313.361 2.434 20 5 DDBDRO C[C@H](O)C[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000530623648 421610286 /nfs/dbraw/zinc/61/02/86/421610286.db2.gz WXFSGVUURYPOLB-ZDUSSCGKSA-N 1 0 304.350 1.674 20 5 DDBDRO C[C@@H](O)C[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000530623645 421610728 /nfs/dbraw/zinc/61/07/28/421610728.db2.gz WXFSGVUURYPOLB-CYBMUJFWSA-N 1 0 304.350 1.674 20 5 DDBDRO Nc1nccc(C(=O)NC2CC[NH+](C3CCC3)CC2)c1[N+](=O)[O-] ZINC000568663251 421621325 /nfs/dbraw/zinc/62/13/25/421621325.db2.gz WXIGXDTWKIFDKK-UHFFFAOYSA-N 1 0 319.365 1.319 20 5 DDBDRO C[C@H](C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])N(C)C1CC1 ZINC000517922113 421633585 /nfs/dbraw/zinc/63/35/85/421633585.db2.gz FGBIFWXECUZDIO-TZMCWYRMSA-N 1 0 323.393 1.407 20 5 DDBDRO CCN1CCC([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000554635243 421656247 /nfs/dbraw/zinc/65/62/47/421656247.db2.gz BYNNLWXHQNUHEG-HNNXBMFYSA-N 1 0 323.393 1.408 20 5 DDBDRO C[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000519638743 421711032 /nfs/dbraw/zinc/71/10/32/421711032.db2.gz DDTMAMYBQZLVKI-SKDRFNHKSA-N 1 0 315.333 1.921 20 5 DDBDRO Cc1cc(S(=O)(=O)N[C@H](C)C[C@@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000519646014 421713137 /nfs/dbraw/zinc/71/31/37/421713137.db2.gz AKIGIFUNNQPQEL-NXEZZACHSA-N 1 0 301.368 1.307 20 5 DDBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCC[NH2+]C1 ZINC000571539008 421724218 /nfs/dbraw/zinc/72/42/18/421724218.db2.gz VZPCNJUMQCLSMX-LBPRGKRZSA-N 1 0 322.365 1.272 20 5 DDBDRO COc1cc(F)cc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000519825249 421732877 /nfs/dbraw/zinc/73/28/77/421732877.db2.gz UNCGKHNQGRVHFC-ZDUSSCGKSA-N 1 0 324.312 1.090 20 5 DDBDRO CNc1nccc(C(=O)NCC2([NH+](C)C)CCCC2)c1[N+](=O)[O-] ZINC000557524043 421774610 /nfs/dbraw/zinc/77/46/10/421774610.db2.gz AEVIPIOORSSLNZ-UHFFFAOYSA-N 1 0 321.381 1.636 20 5 DDBDRO Cc1cc(S(=O)(=O)NC(C)(C)C[NH3+])c(C)cc1[N+](=O)[O-] ZINC000580962196 421873593 /nfs/dbraw/zinc/87/35/93/421873593.db2.gz BRHZNBWZUHYSRD-UHFFFAOYSA-N 1 0 301.368 1.227 20 5 DDBDRO C[C@H](CO)CCC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000580888949 421857645 /nfs/dbraw/zinc/85/76/45/421857645.db2.gz SOVRSIIFGSHWNK-LBPRGKRZSA-N 1 0 309.366 1.922 20 5 DDBDRO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cn2C)CC[N@@H+](C2CC2)C1 ZINC000581232821 421926845 /nfs/dbraw/zinc/92/68/45/421926845.db2.gz RTOWWDVZVMSBLY-LLVKDONJSA-N 1 0 306.366 1.490 20 5 DDBDRO Nc1ccc(NC[C@@H]2CCC[N@H+](CC3CC3)C2)nc1[N+](=O)[O-] ZINC000596569634 422380782 /nfs/dbraw/zinc/38/07/82/422380782.db2.gz ALUCPJIEJRPVRY-LBPRGKRZSA-N 1 0 305.382 2.106 20 5 DDBDRO CC(C)Oc1nc(NCC[N@H+]2CC=CCC2)ccc1[N+](=O)[O-] ZINC000594576899 422350700 /nfs/dbraw/zinc/35/07/00/422350700.db2.gz IGFXNBYIKNKEDJ-UHFFFAOYSA-N 1 0 306.366 2.451 20 5 DDBDRO CCN(C(=O)c1ccnc(NC)c1[N+](=O)[O-])[C@H]1CC[N@H+](CC)C1 ZINC000598038607 422393354 /nfs/dbraw/zinc/39/33/54/422393354.db2.gz FCMPLJQRGHXUOY-NSHDSACASA-N 1 0 321.381 1.588 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@H](c2cccnc2)C1 ZINC000578765183 422643565 /nfs/dbraw/zinc/64/35/65/422643565.db2.gz LFHJZLNFMFEOMD-AWEZNQCLSA-N 1 0 314.345 1.641 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000122325882 263339948 /nfs/dbraw/zinc/33/99/48/263339948.db2.gz CWPDNPYTFYVDBJ-UHFFFAOYSA-N 1 0 321.381 1.276 20 5 DDBDRO C[C@H](C[NH+]1CCCCC1)Nc1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000341548206 271114911 /nfs/dbraw/zinc/11/49/11/271114911.db2.gz NBKJRDFWMWFBHI-LLVKDONJSA-N 1 0 306.366 1.980 20 5 DDBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC1(O)CCC1 ZINC000341619320 271142270 /nfs/dbraw/zinc/14/22/70/271142270.db2.gz TTZSINSFXOULFO-NSHDSACASA-N 1 0 307.350 1.817 20 5 DDBDRO C[C@@H](O)C[C@H](C)NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000341635471 271148195 /nfs/dbraw/zinc/14/81/95/271148195.db2.gz RDQFXAQHJGTQIC-WDEREUQCSA-N 1 0 318.333 1.670 20 5 DDBDRO CC[NH+]1C[C@H](C)N(C(=O)COc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000344429308 272024162 /nfs/dbraw/zinc/02/41/62/272024162.db2.gz RFYJKANGFITYHW-STQMWFEESA-N 1 0 321.377 1.915 20 5 DDBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H]1CCCS(=O)(=O)C1 ZINC000344547058 272056510 /nfs/dbraw/zinc/05/65/10/272056510.db2.gz ZPSLOIMMJBDATF-VUUYWXRKSA-N 1 0 310.375 1.775 20 5 DDBDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000344617089 272071097 /nfs/dbraw/zinc/07/10/97/272071097.db2.gz QDNTVTJHJKHVBL-NSHDSACASA-N 1 0 309.370 1.028 20 5 DDBDRO Cc1cc(S(=O)(=O)N[C@H](C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000344942177 272141862 /nfs/dbraw/zinc/14/18/62/272141862.db2.gz NZWCMPVLPSWYKB-SNVBAGLBSA-N 1 0 301.368 1.132 20 5 DDBDRO CCOc1cc(N2CCC[N@@H+]([C@@H](C)CO)CC2)ccc1[N+](=O)[O-] ZINC000345044511 272162129 /nfs/dbraw/zinc/16/21/29/272162129.db2.gz QCRSMDNZSQHBJY-ZDUSSCGKSA-N 1 0 323.393 1.886 20 5 DDBDRO C[C@@H]1C[N@H+](CCO)CCN1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000452121879 274348329 /nfs/dbraw/zinc/34/83/29/274348329.db2.gz GZWMJFQRBIJJHY-LLVKDONJSA-N 1 0 313.785 1.747 20 5 DDBDRO O=[N+]([O-])c1cnc2ccccc2c1N1CCC([NH2+]CCO)CC1 ZINC000292011630 275041904 /nfs/dbraw/zinc/04/19/04/275041904.db2.gz SCIWWKOUQBLUSM-UHFFFAOYSA-N 1 0 316.361 1.694 20 5 DDBDRO CC[C@H]([NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)C(=O)NC ZINC000453408661 276639049 /nfs/dbraw/zinc/63/90/49/276639049.db2.gz QQJWYKVQPJGTJV-TUAOUCFPSA-N 1 0 309.370 1.389 20 5 DDBDRO CC(C)(C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000289579498 278266495 /nfs/dbraw/zinc/26/64/95/278266495.db2.gz DSQPYRBOKPZWER-CHWSQXEVSA-N 1 0 317.389 1.940 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@H](C)C[NH3+])cc1C ZINC000447245748 278744206 /nfs/dbraw/zinc/74/42/06/278744206.db2.gz NRBZMAHECZUKOL-MRVPVSSYSA-N 1 0 301.368 1.085 20 5 DDBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1c([N+](=O)[O-])cnn1C ZINC000408121485 279087383 /nfs/dbraw/zinc/08/73/83/279087383.db2.gz ODBQZITVONVRHH-MNOVXSKESA-N 1 0 307.354 1.027 20 5 DDBDRO CC[NH+](CC)CC(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000135537220 281595390 /nfs/dbraw/zinc/59/53/90/281595390.db2.gz MXKWPCZGFMUDBT-GFCCVEGCSA-N 1 0 321.381 1.344 20 5 DDBDRO C[C@H]1CC[N@H+](C)CCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000354005081 298337134 /nfs/dbraw/zinc/33/71/34/298337134.db2.gz DWZGMRVZFRCVOQ-VIFPVBQESA-N 1 0 310.329 1.482 20 5 DDBDRO CCOC[C@H](O)C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000361884602 299956078 /nfs/dbraw/zinc/95/60/78/299956078.db2.gz DXHPLBDDJBJOOR-HUUCEWRRSA-N 1 0 308.378 1.903 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1[C@@H]2CC[C@H]1C[C@H]([NH3+])C2 ZINC000364580605 300415456 /nfs/dbraw/zinc/41/54/56/300415456.db2.gz FQDAVCKJPBFBIE-RTCCRHLQSA-N 1 0 305.334 1.698 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCC(=O)N[C@H]1C1CC1 ZINC000367461498 300848683 /nfs/dbraw/zinc/84/86/83/300848683.db2.gz AGFZYXPUTXMSJT-BBRMVZONSA-N 1 0 319.361 1.750 20 5 DDBDRO CCc1n[nH]c(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)c1[N+](=O)[O-] ZINC000369136219 301135643 /nfs/dbraw/zinc/13/56/43/301135643.db2.gz ARLBGOKATIXBSH-JTQLQIEISA-N 1 0 321.381 1.627 20 5 DDBDRO C[N@@H+]1CCC[C@H](N2CCN(c3cc(N)ccc3[N+](=O)[O-])CC2)C1 ZINC000369212340 301146310 /nfs/dbraw/zinc/14/63/10/301146310.db2.gz DBYCYRXNNFDKPX-AWEZNQCLSA-N 1 0 319.409 1.393 20 5 DDBDRO C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2[nH]ncc2[N+](=O)[O-])C1 ZINC000378310170 302310345 /nfs/dbraw/zinc/31/03/45/302310345.db2.gz UHKFMKLURDJEOO-NWDGAFQWSA-N 1 0 315.333 1.146 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC[C@H](C)C[NH3+])c1C ZINC000447241661 302395504 /nfs/dbraw/zinc/39/55/04/302395504.db2.gz BNEXOIHXBYQNPN-MRVPVSSYSA-N 1 0 301.368 1.085 20 5 DDBDRO COCC[NH2+]C1CCN(C(=O)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000515861978 302781475 /nfs/dbraw/zinc/78/14/75/302781475.db2.gz YCKRFUHFAMVRFL-UHFFFAOYSA-N 1 0 321.377 1.744 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H]1C[C@H](O)C1(C)C ZINC000516192088 302786495 /nfs/dbraw/zinc/78/64/95/302786495.db2.gz RMZLJOUIVNHWQJ-STQMWFEESA-N 1 0 323.349 1.291 20 5 DDBDRO Cc1cc(S(=O)(=O)N[C@@H](C)C[C@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000519646031 302846728 /nfs/dbraw/zinc/84/67/28/302846728.db2.gz AKIGIFUNNQPQEL-UWVGGRQHSA-N 1 0 301.368 1.307 20 5 DDBDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532144140 303277272 /nfs/dbraw/zinc/27/72/72/303277272.db2.gz VLECMQNOCKQMFL-LBPRGKRZSA-N 1 0 310.354 1.076 20 5 DDBDRO Cn1cc(C(C)(C)[NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])cn1 ZINC000547413550 303528775 /nfs/dbraw/zinc/52/87/75/303528775.db2.gz NAXOYCRBTWFWTC-UHFFFAOYSA-N 1 0 317.349 1.792 20 5 DDBDRO CCN(CC)C(=O)C1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000358272867 306937260 /nfs/dbraw/zinc/93/72/60/306937260.db2.gz JIVYRRYHIYZQSA-UHFFFAOYSA-N 1 0 323.397 1.372 20 5 DDBDRO O=C(N[C@H]1CC[N@H+](CC2CCCC2)C1)c1ccc([N+](=O)[O-])[nH]1 ZINC000362080131 307013158 /nfs/dbraw/zinc/01/31/58/307013158.db2.gz JVAFAVVYXFCJES-LBPRGKRZSA-N 1 0 306.366 1.917 20 5 DDBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N[C@H]1CCC[NH2+]CC1 ZINC000363997211 307039353 /nfs/dbraw/zinc/03/93/53/307039353.db2.gz HUBKEIUUSADVQE-LBPRGKRZSA-N 1 0 306.366 1.655 20 5 DDBDRO CN(C(=O)C[NH2+][C@H]1CCO[C@@H]1C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000365192359 307061502 /nfs/dbraw/zinc/06/15/02/307061502.db2.gz QDGGGWRJKDTQFJ-GOEBONIOSA-N 1 0 319.361 1.715 20 5 DDBDRO O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000365275298 307063347 /nfs/dbraw/zinc/06/33/47/307063347.db2.gz OKKNGTSYIRISJT-KOLCDFICSA-N 1 0 319.317 1.148 20 5 DDBDRO Cc1ccc(C(=O)N2CCN([C@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000366098741 307066978 /nfs/dbraw/zinc/06/69/78/307066978.db2.gz WUCOPTZVKKIRME-AWEZNQCLSA-N 1 0 319.361 1.450 20 5 DDBDRO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)[C@@H]1C[C@@H]1[N+](=O)[O-] ZINC000371659987 307155613 /nfs/dbraw/zinc/15/56/13/307155613.db2.gz KIQXWXCHRLSYGX-RZFFKMDDSA-N 1 0 318.377 1.073 20 5 DDBDRO COCC[C@@]1(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC[NH2+]C1 ZINC000376695911 307254155 /nfs/dbraw/zinc/25/41/55/307254155.db2.gz SJUUWDRJEFHAPF-INIZCTEOSA-N 1 0 321.377 1.270 20 5 DDBDRO COC(=O)N1CC([NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000496075710 307325232 /nfs/dbraw/zinc/32/52/32/307325232.db2.gz HWBHWEQLOOFITM-RYUDHWBXSA-N 1 0 323.353 1.315 20 5 DDBDRO O=C(CC[C@H]1CC[NH2+]C1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000564939746 308013975 /nfs/dbraw/zinc/01/39/75/308013975.db2.gz GPAWQEGPKXGYCG-LBPRGKRZSA-N 1 0 321.381 1.345 20 5 DDBDRO CN(C)C1(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CCC1 ZINC000566792770 308063321 /nfs/dbraw/zinc/06/33/21/308063321.db2.gz PHPZPBYQXLAWKA-ZDUSSCGKSA-N 1 0 323.393 1.408 20 5 DDBDRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000567667246 308088695 /nfs/dbraw/zinc/08/86/95/308088695.db2.gz UAMJKPXVHMBPAU-SCZZXKLOSA-N 1 0 307.306 1.051 20 5 DDBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000567925675 308100039 /nfs/dbraw/zinc/10/00/39/308100039.db2.gz QYNWWXWNKOZGDW-ZJUUUORDSA-N 1 0 323.349 1.151 20 5 DDBDRO CC1(C)[NH2+]CC[C@H]1NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000570246448 308164102 /nfs/dbraw/zinc/16/41/02/308164102.db2.gz UXNJUHSCFNLIBH-GFCCVEGCSA-N 1 0 321.333 1.236 20 5 DDBDRO CCCN(C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)[C@H]1CC[NH2+]C1 ZINC000571039322 308189457 /nfs/dbraw/zinc/18/94/57/308189457.db2.gz XDQNIUAGGHFYFC-JTQLQIEISA-N 1 0 321.333 1.538 20 5 DDBDRO O=C1NCC[C@H]1CC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000575192654 308273322 /nfs/dbraw/zinc/27/33/22/308273322.db2.gz JMIKJCRHCFVURF-RYUDHWBXSA-N 1 0 319.365 1.002 20 5 DDBDRO C[NH2+]C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 ZINC000579710919 308552262 /nfs/dbraw/zinc/55/22/62/308552262.db2.gz XTIIORGJDTYWLB-JTQLQIEISA-N 1 0 321.333 1.048 20 5 DDBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000581000826 308646399 /nfs/dbraw/zinc/64/63/99/308646399.db2.gz FTOVVVNDXKOZRG-OLZOCXBDSA-N 1 0 304.350 1.346 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H]1C[C@H](O)C1(C)C ZINC000581202012 308661843 /nfs/dbraw/zinc/66/18/43/308661843.db2.gz QGMCPNLCVCFLAX-KGLIPLIRSA-N 1 0 321.377 1.981 20 5 DDBDRO COC[C@@](C)(O)CNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000382576606 325746523 /nfs/dbraw/zinc/74/65/23/325746523.db2.gz WABYUMRCEZSHTM-HNNXBMFYSA-N 1 0 305.334 1.683 20 5 DDBDRO CNc1ccc(C(=O)NC2(C[NH+](C)C)CCC2)cc1[N+](=O)[O-] ZINC000393479965 337092683 /nfs/dbraw/zinc/09/26/83/337092683.db2.gz KCHZRIXOCYMCBF-UHFFFAOYSA-N 1 0 306.366 1.851 20 5 DDBDRO COC[C@@H](C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])OC ZINC000582482664 337096759 /nfs/dbraw/zinc/09/67/59/337096759.db2.gz OSNHPBPQMJEDAA-LLVKDONJSA-N 1 0 311.338 1.174 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2[C@@H](C)CC[NH2+][C@H]2C)c1 ZINC000583199073 337266336 /nfs/dbraw/zinc/26/63/36/337266336.db2.gz XCXBVZYKWXBMFH-PKFCDNJMSA-N 1 0 307.350 1.720 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@@H]3CCCC[C@@H]3O)CC2)cn1 ZINC000584533395 337357525 /nfs/dbraw/zinc/35/75/25/337357525.db2.gz YTXVNSDPVIBTEI-ZFWWWQNUSA-N 1 0 320.393 1.663 20 5 DDBDRO O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)[C@H]1C[C@H]1[N+](=O)[O-] ZINC000374894933 483943941 /nfs/dbraw/zinc/94/39/41/483943941.db2.gz OEBYETRWWZLCHN-XJFOESAGSA-N 1 0 307.325 1.053 20 5 DDBDRO CC(C)OC[C@H](O)C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000493796297 484239227 /nfs/dbraw/zinc/23/92/27/484239227.db2.gz OTSKTBCHCUMZAA-GXTWGEPZSA-N 1 0 324.381 1.262 20 5 DDBDRO C[NH2+]C[C@@H](C)NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000662959975 484564685 /nfs/dbraw/zinc/56/46/85/484564685.db2.gz KSUAEUIDFVDAFP-CYBMUJFWSA-N 1 0 323.396 1.879 20 5 DDBDRO C[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CCOCC1 ZINC000179838933 490687918 /nfs/dbraw/zinc/68/79/18/490687918.db2.gz UODRHQJXUKPIRM-SNVBAGLBSA-N 1 0 307.350 1.598 20 5 DDBDRO C[C@@H]1CN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC001120786590 782142451 /nfs/dbraw/zinc/14/24/51/782142451.db2.gz NDENQHOLJHKSJC-PHIMTYICSA-N 1 0 318.377 1.674 20 5 DDBDRO Cc1c(C[NH+]2CCC3(COC(=O)N3)CC2)cccc1[N+](=O)[O-] ZINC000495031396 533844894 /nfs/dbraw/zinc/84/48/94/533844894.db2.gz MZHJYGRTTCJMFE-UHFFFAOYSA-N 1 0 305.334 1.978 20 5 DDBDRO C[C@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)CC[N@@H+](C2CC2)C1 ZINC000296803084 533943490 /nfs/dbraw/zinc/94/34/90/533943490.db2.gz UJYZUUNVNROAIO-ZDUSSCGKSA-N 1 0 320.393 1.173 20 5 DDBDRO C[C@H]1C[C@@H](C[NH3+])CN1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000447249503 534081886 /nfs/dbraw/zinc/08/18/86/534081886.db2.gz UNFIOULFFBHPTJ-JQWIXIFHSA-N 1 0 313.379 1.094 20 5 DDBDRO CCCNC(=O)[C@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000157855424 519895975 /nfs/dbraw/zinc/89/59/75/519895975.db2.gz URGHYPCOUJIGRW-LBPRGKRZSA-N 1 0 309.370 1.030 20 5 DDBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000417939757 534472778 /nfs/dbraw/zinc/47/27/78/534472778.db2.gz LAEDYZKGTAFSGV-UKRRQHHQSA-N 1 0 318.377 1.531 20 5 DDBDRO O=C(CNc1ccc([N+](=O)[O-])cc1)NCC[NH+]1CCCCCC1 ZINC000431508389 534600440 /nfs/dbraw/zinc/60/04/40/534600440.db2.gz YJFJLHJYMGUKSJ-UHFFFAOYSA-N 1 0 320.393 1.999 20 5 DDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000295916191 534704463 /nfs/dbraw/zinc/70/44/63/534704463.db2.gz CQVFZMVNUGKNOT-AWEZNQCLSA-N 1 0 321.377 1.100 20 5 DDBDRO CC(C)(CC[NH3+])NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000424061098 527029198 /nfs/dbraw/zinc/02/91/98/527029198.db2.gz QVTQMOBHQHYHTA-UHFFFAOYSA-N 1 0 317.349 1.638 20 5 DDBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H](O)[C@@H](CO)C1 ZINC000414564655 527501728 /nfs/dbraw/zinc/50/17/28/527501728.db2.gz XVSSKKCMRHFVMZ-SOKLDJIMSA-N 1 0 306.362 1.673 20 5 DDBDRO CCC[NH+]1CCC(Nc2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000301944639 528205609 /nfs/dbraw/zinc/20/56/09/528205609.db2.gz WTXGFOCTHGMSTM-UHFFFAOYSA-N 1 0 304.354 1.924 20 5 DDBDRO CC[NH2+]CC1CCN(C(=O)c2c([N+](=O)[O-])c(C)nn2C)CC1 ZINC000429498616 528288232 /nfs/dbraw/zinc/28/82/32/528288232.db2.gz UNBCFFNJIBJREO-UHFFFAOYSA-N 1 0 309.370 1.098 20 5 DDBDRO CCOc1cc(N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000302456822 528311342 /nfs/dbraw/zinc/31/13/42/528311342.db2.gz QPDDJNDBRQPHQA-STQMWFEESA-N 1 0 323.393 1.885 20 5 DDBDRO CC[NH+]1CCC(NC(=O)CCn2cc([N+](=O)[O-])nc2C)CC1 ZINC000299470974 528977502 /nfs/dbraw/zinc/97/75/02/528977502.db2.gz AOFKIUWWBXXKTR-UHFFFAOYSA-N 1 0 309.370 1.090 20 5 DDBDRO CC(C)[N@H+](C)CCNc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000735856149 598298642 /nfs/dbraw/zinc/29/86/42/598298642.db2.gz FMMFDZNRFPLYAI-UHFFFAOYSA-N 1 0 305.342 1.527 20 5 DDBDRO Cc1c(C(=O)NC[C@H]([NH3+])C2CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000137301828 696857919 /nfs/dbraw/zinc/85/79/19/696857919.db2.gz UPNOSNJJEACLBG-NSHDSACASA-N 1 0 308.294 1.279 20 5 DDBDRO C[C@H]([NH3+])[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CCO1 ZINC000156430861 696962919 /nfs/dbraw/zinc/96/29/19/696962919.db2.gz GMXGCFCCKREMFH-UFBFGSQYSA-N 1 0 313.741 1.436 20 5 DDBDRO C[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C(=O)N(C)C ZINC000773043672 697705142 /nfs/dbraw/zinc/70/51/42/697705142.db2.gz FEMPFVDNFVYCJU-GFCCVEGCSA-N 1 0 320.393 1.630 20 5 DDBDRO NC(=O)C[C@@H]1CCCC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776582169 698121135 /nfs/dbraw/zinc/12/11/35/698121135.db2.gz RVCURFPACBJKPP-UONOGXRCSA-N 1 0 307.350 1.358 20 5 DDBDRO NC(=O)CC[C@H]1CCC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776583016 698121730 /nfs/dbraw/zinc/12/17/30/698121730.db2.gz YNVFMJQMUPIYEW-IUODEOHRSA-N 1 0 321.377 1.606 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CC[C@@H]([C@H]3CCOC3)C2)cc1 ZINC000776591750 698123518 /nfs/dbraw/zinc/12/35/18/698123518.db2.gz WMRATURRMVCFQH-IJEWVQPXSA-N 1 0 306.362 1.987 20 5 DDBDRO Cc1nn(CN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000779867134 698476313 /nfs/dbraw/zinc/47/63/13/698476313.db2.gz DRUCNQFOVCFCGZ-KCQAQPDRSA-N 1 0 323.397 1.241 20 5 DDBDRO Cc1nn(CN2CCC(O[C@@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000779865442 698476442 /nfs/dbraw/zinc/47/64/42/698476442.db2.gz OAWIWVOROAZCNT-CYBMUJFWSA-N 1 0 310.354 1.327 20 5 DDBDRO CC1(C)CN(c2nc3ccccn3c2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000780630932 698540401 /nfs/dbraw/zinc/54/04/01/698540401.db2.gz XEIZKJGCMOZRER-UHFFFAOYSA-N 1 0 319.365 1.135 20 5 DDBDRO C[C@@H]([NH3+])C[C@@H](C)NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000320019545 698717258 /nfs/dbraw/zinc/71/72/58/698717258.db2.gz AXCIYNFKWZQJCJ-HTQZYQBOSA-N 1 0 305.331 1.138 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@@]2(CCC[NH2+]2)C1 ZINC000420403004 699139392 /nfs/dbraw/zinc/13/93/92/699139392.db2.gz MTJVSRAAVPVDJK-INIZCTEOSA-N 1 0 318.377 1.670 20 5 DDBDRO C[NH2+]CCOCCNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000705959190 699242745 /nfs/dbraw/zinc/24/27/45/699242745.db2.gz XLQXBMOPWGLQQH-UHFFFAOYSA-N 1 0 301.730 1.214 20 5 DDBDRO CC(C)[NH2+][C@H]1CCCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000728607323 699450121 /nfs/dbraw/zinc/45/01/21/699450121.db2.gz ZMCVYYRKJFVTIO-LBPRGKRZSA-N 1 0 306.366 1.780 20 5 DDBDRO C[C@@H]1OCC[C@H]1[N@H+](CCO)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000796575371 699939840 /nfs/dbraw/zinc/93/98/40/699939840.db2.gz OILNKEAFOLEXGZ-NILFDRSVSA-N 1 0 310.350 1.100 20 5 DDBDRO C[NH+](C)C[C@@H](O)CNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000756940574 700649476 /nfs/dbraw/zinc/64/94/76/700649476.db2.gz OLDPMAZFFXKCDT-VIFPVBQESA-N 1 0 307.272 1.948 20 5 DDBDRO C[N@@H+]1CC[C@](O)(CNc2nc3ccc([N+](=O)[O-])cc3s2)C1 ZINC000762816617 700908216 /nfs/dbraw/zinc/90/82/16/700908216.db2.gz RUNVJAVKSHJRHW-ZDUSSCGKSA-N 1 0 308.363 1.683 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@@H](CO)C1CC1 ZINC000763064217 700923570 /nfs/dbraw/zinc/92/35/70/700923570.db2.gz DTFUYKOBNATIQN-RNCFNFMXSA-N 1 0 323.349 1.291 20 5 DDBDRO O=C(CC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)C1CC1 ZINC000767430303 701106334 /nfs/dbraw/zinc/10/63/34/701106334.db2.gz QSLHBVRFYPMORQ-GFCCVEGCSA-N 1 0 304.350 1.845 20 5 DDBDRO O=[N+]([O-])c1cccc([N+](=O)[O-])c1NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000804396400 701186035 /nfs/dbraw/zinc/18/60/35/701186035.db2.gz HFJVLQHZTHVVKU-WDEREUQCSA-N 1 0 322.321 1.778 20 5 DDBDRO C[C@@H](CNc1c([N+](=O)[O-])cccc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000804421248 701187940 /nfs/dbraw/zinc/18/79/40/701187940.db2.gz KVYSBCRKLQFZJN-NSHDSACASA-N 1 0 323.353 1.551 20 5 DDBDRO O=[N+]([O-])c1cccc([N+](=O)[O-])c1N1CCC([NH2+]CCO)CC1 ZINC000804577748 701201589 /nfs/dbraw/zinc/20/15/89/701201589.db2.gz ATNDCNGNMSGFMJ-UHFFFAOYSA-N 1 0 310.310 1.054 20 5 DDBDRO CCOc1ccc(NC(=O)C[NH2+][C@@H](CO)C2CC2)c([N+](=O)[O-])c1 ZINC000771814753 701332560 /nfs/dbraw/zinc/33/25/60/701332560.db2.gz UBMKZHZVRFHSCR-ZDUSSCGKSA-N 1 0 323.349 1.293 20 5 DDBDRO C[C@]12C[NH+](Cc3cc(F)ccc3[N+](=O)[O-])C[C@]1(C)C(=O)NC2=O ZINC000879157386 706601920 /nfs/dbraw/zinc/60/19/20/706601920.db2.gz IHSLXICEFONDCQ-HUUCEWRRSA-N 1 0 321.308 1.219 20 5 DDBDRO C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000839689176 701784299 /nfs/dbraw/zinc/78/42/99/701784299.db2.gz LEFMFKBVTJFPDQ-FMCLSXCISA-N 1 0 323.418 1.912 20 5 DDBDRO COCCN1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815575281 701898918 /nfs/dbraw/zinc/89/89/18/701898918.db2.gz NXLWMPXXORQCHQ-GXTWGEPZSA-N 1 0 322.409 1.938 20 5 DDBDRO CO[C@@H]1C[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@@](C)(CO)C1 ZINC000879262751 706633415 /nfs/dbraw/zinc/63/34/15/706633415.db2.gz ZIIGSPRBXDKZJZ-SOUVJXGZSA-N 1 0 310.350 1.100 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(c3c(C(N)=O)cccc3[N+](=O)[O-])CC[C@H]21 ZINC000866206842 706648684 /nfs/dbraw/zinc/64/86/84/706648684.db2.gz GDWRGYANPJTHCS-ZYHUDNBSSA-N 1 0 304.350 1.224 20 5 DDBDRO CN(Cc1c(Br)cccc1[N+](=O)[O-])C[C@@H](O)C[NH3+] ZINC000841091719 702342014 /nfs/dbraw/zinc/34/20/14/702342014.db2.gz DOZYYYRYNIPVGM-QMMMGPOBSA-N 1 0 318.171 1.109 20 5 DDBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000868927126 702389764 /nfs/dbraw/zinc/38/97/64/702389764.db2.gz HZAALTVMUHVOFI-LBPRGKRZSA-N 1 0 309.341 1.829 20 5 DDBDRO COC[C@@H](C[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-])OC ZINC000866337393 706676405 /nfs/dbraw/zinc/67/64/05/706676405.db2.gz QUUDSOQJIHEFSN-GXFFZTMASA-N 1 0 300.330 1.916 20 5 DDBDRO COc1ccc(CC(=O)N2CC[C@@]3(CCC[NH2+]3)C2)cc1[N+](=O)[O-] ZINC000818018990 702555729 /nfs/dbraw/zinc/55/57/29/702555729.db2.gz XMPLJDNSFVPABB-INIZCTEOSA-N 1 0 319.361 1.500 20 5 DDBDRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000818019544 702556544 /nfs/dbraw/zinc/55/65/44/702556544.db2.gz LVRGBNLUHXXWNJ-GWCFXTLKSA-N 1 0 317.349 1.201 20 5 DDBDRO O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)NC[C@H]1CCC[NH2+]C1 ZINC000818532382 702661449 /nfs/dbraw/zinc/66/14/49/702661449.db2.gz KSOBTNXGJAZGRF-NSHDSACASA-N 1 0 317.349 1.060 20 5 DDBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H](CO)c1ccnn1C ZINC000866394814 706689041 /nfs/dbraw/zinc/68/90/41/706689041.db2.gz GJKQLXLPUJYELI-GWCFXTLKSA-N 1 0 322.340 1.722 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H]2CCCN(CCCO)C2)cc1 ZINC000843094848 702818121 /nfs/dbraw/zinc/81/81/21/702818121.db2.gz LYRMZBKMIATLIA-GOEBONIOSA-N 1 0 323.393 1.065 20 5 DDBDRO O=[N+]([O-])c1ccc(CN2CCN([C@@H]3CC[NH2+]C3)CC2)cc1Cl ZINC000843124565 702824482 /nfs/dbraw/zinc/82/44/82/702824482.db2.gz HPGSTMYKUZGYPS-CYBMUJFWSA-N 1 0 324.812 1.728 20 5 DDBDRO [NH3+]CCc1noc(-c2cc([N+](=O)[O-])ccc2N2CCCC2)n1 ZINC000843131744 702826028 /nfs/dbraw/zinc/82/60/28/702826028.db2.gz RGJYFJCBBUZEAT-UHFFFAOYSA-N 1 0 303.322 1.746 20 5 DDBDRO Cc1cc(Cc2noc(C[C@H]3C[NH2+]CCO3)n2)ccc1[N+](=O)[O-] ZINC000843192712 702838567 /nfs/dbraw/zinc/83/85/67/702838567.db2.gz XUPOGRIJHTVORF-LBPRGKRZSA-N 1 0 318.333 1.408 20 5 DDBDRO Cc1nc([N+](=O)[O-])c(-c2noc(CC[C@@H]3CC[NH2+]C3)n2)n1C ZINC000843223037 702845294 /nfs/dbraw/zinc/84/52/94/702845294.db2.gz XJRZVLDIYKSHLZ-SECBINFHSA-N 1 0 306.326 1.229 20 5 DDBDRO CN(CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CC[NH2+]C1 ZINC000843351725 702864642 /nfs/dbraw/zinc/86/46/42/702864642.db2.gz ZLKFGZARTIAFOZ-JTQLQIEISA-N 1 0 312.757 1.480 20 5 DDBDRO O=C(CO[C@H]1CCC[NH2+]C1)NCCc1ccccc1[N+](=O)[O-] ZINC000843444319 702883626 /nfs/dbraw/zinc/88/36/26/702883626.db2.gz NLVHVLZEJMUHEL-ZDUSSCGKSA-N 1 0 307.350 1.022 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H]2CC[NH2+]C2(C)C)cc1[N+](=O)[O-] ZINC000843485142 702890918 /nfs/dbraw/zinc/89/09/18/702890918.db2.gz OEISNWHTQHIGRO-GFCCVEGCSA-N 1 0 322.321 1.682 20 5 DDBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000866540343 706724608 /nfs/dbraw/zinc/72/46/08/706724608.db2.gz LYAKAWKTDUMUGS-QMTHXVAHSA-N 1 0 321.352 1.875 20 5 DDBDRO Cc1nn(CCC(=O)OCC[C@@H]2CC[N@@H+](C)C2)c(C)c1[N+](=O)[O-] ZINC000847826197 703473319 /nfs/dbraw/zinc/47/33/19/703473319.db2.gz CBIKQEHPEWPSJU-ZDUSSCGKSA-N 1 0 324.381 1.683 20 5 DDBDRO COC(=O)/C=C/c1ccc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)o1 ZINC000848900285 703600459 /nfs/dbraw/zinc/60/04/59/703600459.db2.gz ZXZLHLXRVOBWQP-SNAWJCMRSA-N 1 0 320.305 1.360 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=[NH2+])N1CCO[C@H](C)C1 ZINC000848995940 703608528 /nfs/dbraw/zinc/60/85/28/703608528.db2.gz OXJAFNSMUCGNBF-SNVBAGLBSA-N 1 0 308.338 1.348 20 5 DDBDRO C[C@@H](CCNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])[NH+](C)C ZINC000849429357 703646933 /nfs/dbraw/zinc/64/69/33/703646933.db2.gz OCFZZYRPCGFHMA-VIFPVBQESA-N 1 0 319.358 1.352 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H]2CCCn3nccc32)cc1 ZINC000850432430 703730977 /nfs/dbraw/zinc/73/09/77/703730977.db2.gz BQOHYKHQMFZVDD-DZGCQCFKSA-N 1 0 302.334 1.949 20 5 DDBDRO CC1(C)OC[C@H](C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)O1 ZINC000851843154 703868645 /nfs/dbraw/zinc/86/86/45/703868645.db2.gz ATWWYMWDOLCOQL-AAEUAGOBSA-N 1 0 322.365 1.628 20 5 DDBDRO O=C1CCC2=C(CC[N@@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)N1 ZINC000852298427 704001378 /nfs/dbraw/zinc/00/13/78/704001378.db2.gz ZTBKXOMUWWTWNK-OAHLLOKOSA-N 1 0 317.345 1.498 20 5 DDBDRO CC1(C)CN(CC[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000818992202 704045315 /nfs/dbraw/zinc/04/53/15/704045315.db2.gz OBPKDONXXSBYBN-HNNXBMFYSA-N 1 0 323.393 1.329 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C/C=C\c2ccccc2)c1 ZINC000819061982 704063661 /nfs/dbraw/zinc/06/36/61/704063661.db2.gz ZKHNITIHPAKLPW-QZDDGCDVSA-N 1 0 302.334 1.455 20 5 DDBDRO C[C@@H](C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)CN1CCOCC1 ZINC000819090538 704069010 /nfs/dbraw/zinc/06/90/10/704069010.db2.gz WUWMHXTWXASVLG-BBRMVZONSA-N 1 0 323.393 1.186 20 5 DDBDRO Cc1cnc(CC[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)cn1 ZINC000819361637 704113243 /nfs/dbraw/zinc/11/32/43/704113243.db2.gz KAVPCWDUODXMDA-OAHLLOKOSA-N 1 0 302.334 1.559 20 5 DDBDRO [NH3+]C[C@@H]1OCC[C@H]1C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000852854058 704148920 /nfs/dbraw/zinc/14/89/20/704148920.db2.gz XXMCOQBOQVVIPU-PWSUYJOCSA-N 1 0 313.741 1.228 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NOC1CC[NH+](C)CC1 ZINC000819692906 704159376 /nfs/dbraw/zinc/15/93/76/704159376.db2.gz SPHKJVKUJVHFLC-UHFFFAOYSA-N 1 0 323.349 1.749 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](CO)C[NH+]1CCCC1 ZINC000819842594 704177737 /nfs/dbraw/zinc/17/77/37/704177737.db2.gz BMCYRGQKGSSQAV-GFCCVEGCSA-N 1 0 307.350 1.090 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)CN2CC[NH+](CCCF)CC2)c1 ZINC000860008082 705068726 /nfs/dbraw/zinc/06/87/26/705068726.db2.gz MRLIFYAWRYUNFE-HNNXBMFYSA-N 1 0 311.357 1.605 20 5 DDBDRO COc1cc(Cc2noc([C@H](C)C[NH3+])n2)c([N+](=O)[O-])c(OC)c1 ZINC000823145902 705152441 /nfs/dbraw/zinc/15/24/41/705152441.db2.gz LAWCPYCQTSPGBD-MRVPVSSYSA-N 1 0 322.321 1.648 20 5 DDBDRO COCC[N@@H+]1CCC[C@H](NC(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000823152738 705154086 /nfs/dbraw/zinc/15/40/86/705154086.db2.gz XDLHWFIIRJJQQB-LBPRGKRZSA-N 1 0 301.387 1.049 20 5 DDBDRO COCC1(c2nc(CCC(C)(C)[N+](=O)[O-])no2)CC[NH2+]CC1 ZINC000823234381 705178922 /nfs/dbraw/zinc/17/89/22/705178922.db2.gz IZIWGNYUBGDNNR-UHFFFAOYSA-N 1 0 312.370 1.325 20 5 DDBDRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000874828750 705187481 /nfs/dbraw/zinc/18/74/81/705187481.db2.gz HTYIKJFPUPURPI-OLZOCXBDSA-N 1 0 322.340 1.625 20 5 DDBDRO CCCc1n[nH]c(C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3C)c1[N+](=O)[O-] ZINC000874836391 705193884 /nfs/dbraw/zinc/19/38/84/705193884.db2.gz CCQQCIVJAKQEKN-RYUDHWBXSA-N 1 0 321.381 1.579 20 5 DDBDRO O=C(NCC[NH+]1CCCCC1)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825090949 705598224 /nfs/dbraw/zinc/59/82/24/705598224.db2.gz OLANICFQEFGHCV-CQSZACIVSA-N 1 0 307.350 1.230 20 5 DDBDRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000825196342 705622013 /nfs/dbraw/zinc/62/20/13/705622013.db2.gz DIXBYPHIXFPBDG-ZYHUDNBSSA-N 1 0 317.349 1.188 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC000825409386 705664919 /nfs/dbraw/zinc/66/49/19/705664919.db2.gz IMRBMFUDGMECKS-LBPRGKRZSA-N 1 0 323.397 1.336 20 5 DDBDRO C[C@H](C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)N1CCCCC1 ZINC000876956994 705938261 /nfs/dbraw/zinc/93/82/61/705938261.db2.gz PZCKRYJVKUHRAG-IYXRBSQSSA-N 1 0 307.398 1.959 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3cccc(F)c3[N+](=O)[O-])CC[C@@H]21 ZINC000827234541 705957455 /nfs/dbraw/zinc/95/74/55/705957455.db2.gz YIUJSOWODZCCQP-OCCSQVGLSA-N 1 0 321.352 1.829 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)C[C@H](C)[NH3+] ZINC000863568838 705960604 /nfs/dbraw/zinc/96/06/04/705960604.db2.gz NPQWVFDRZHKWEJ-JTQLQIEISA-N 1 0 310.354 1.211 20 5 DDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@@H](CO)c3ccccc3)C2)c1 ZINC000877036641 705967858 /nfs/dbraw/zinc/96/78/58/705967858.db2.gz HIDORBGSWCKRPQ-PIMMBPRGSA-N 1 0 302.334 1.818 20 5 DDBDRO C[N@@H+]1CC[C@H]2CN(C(=O)c3c(N)cccc3[N+](=O)[O-])CC[C@@H]21 ZINC000827290328 705969618 /nfs/dbraw/zinc/96/96/18/705969618.db2.gz SWEQCZYCCNCYMZ-JQWIXIFHSA-N 1 0 304.350 1.343 20 5 DDBDRO CN(CC(=O)N1C2CCC1(C[NH3+])CC2)c1ccccc1[N+](=O)[O-] ZINC000877189364 706011557 /nfs/dbraw/zinc/01/15/57/706011557.db2.gz MQJBAKGFUCQIMJ-UHFFFAOYSA-N 1 0 318.377 1.513 20 5 DDBDRO C[N@H+](CC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)C1CCC1 ZINC000863900626 706032834 /nfs/dbraw/zinc/03/28/34/706032834.db2.gz BJSUHJGLLKNUKO-UHFFFAOYSA-N 1 0 303.362 1.964 20 5 DDBDRO C[NH2+]C1(CNC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)CCC1 ZINC000863921784 706038398 /nfs/dbraw/zinc/03/83/98/706038398.db2.gz HPBOESMWBRLRCK-UHFFFAOYSA-N 1 0 321.362 1.471 20 5 DDBDRO CNc1ccc(C(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)cc1[N+](=O)[O-] ZINC000877286960 706048974 /nfs/dbraw/zinc/04/89/74/706048974.db2.gz HFQLZXWMVOGVBL-STQMWFEESA-N 1 0 304.350 1.603 20 5 DDBDRO [NH3+]C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C(F)(F)F ZINC000877371165 706083631 /nfs/dbraw/zinc/08/36/31/706083631.db2.gz MKILEYQDEWJFBC-ONGXEEELSA-N 1 0 317.267 1.804 20 5 DDBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000877394763 706094182 /nfs/dbraw/zinc/09/41/82/706094182.db2.gz GGXGLZVAZIYASY-GOEBONIOSA-N 1 0 319.361 1.765 20 5 DDBDRO CCOC(=O)C1(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000877401910 706097310 /nfs/dbraw/zinc/09/73/10/706097310.db2.gz RMKOMULDSIRUMO-UHFFFAOYSA-N 1 0 308.338 1.428 20 5 DDBDRO Cc1nccnc1CC[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877551760 706140410 /nfs/dbraw/zinc/14/04/10/706140410.db2.gz APGVXXMNCLDRMJ-UHFFFAOYSA-N 1 0 302.338 1.426 20 5 DDBDRO Cc1c(CO)cc([N+](=O)[O-])c(NC[C@H](C)[NH+](C)C)c1[N+](=O)[O-] ZINC000829100219 706287793 /nfs/dbraw/zinc/28/77/93/706287793.db2.gz OJJWFUBDPOYIAQ-QMMMGPOBSA-N 1 0 312.326 1.666 20 5 DDBDRO C[C@@H](CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2)[NH+](C)C ZINC000878199220 706324718 /nfs/dbraw/zinc/32/47/18/706324718.db2.gz ZKPCDOLQAOXYTH-JTQLQIEISA-N 1 0 323.349 1.436 20 5 DDBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000829449526 706334913 /nfs/dbraw/zinc/33/49/13/706334913.db2.gz CEDNZBPSZOMRCU-QLFBSQMISA-N 1 0 303.362 1.909 20 5 DDBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC000829455184 706336570 /nfs/dbraw/zinc/33/65/70/706336570.db2.gz LCKGZXLVLWIIND-CYBMUJFWSA-N 1 0 309.341 1.877 20 5 DDBDRO CC(C)[C@H](O)CC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000878251192 706338849 /nfs/dbraw/zinc/33/88/49/706338849.db2.gz HPDSOKAPRYAFNY-GXTWGEPZSA-N 1 0 308.382 1.883 20 5 DDBDRO C[C@@H](CNC(=O)Cc1cccc(F)c1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000865142269 706362093 /nfs/dbraw/zinc/36/20/93/706362093.db2.gz CFFKXGGMNIFBOU-JTQLQIEISA-N 1 0 309.341 1.875 20 5 DDBDRO CC(C)(O)[C@H]1CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000880148203 706892742 /nfs/dbraw/zinc/89/27/42/706892742.db2.gz SYCXPVRGVVWPLU-STQMWFEESA-N 1 0 324.377 1.427 20 5 DDBDRO CC(C)[C@H]([NH3+])CNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000832756344 706976466 /nfs/dbraw/zinc/97/64/66/706976466.db2.gz ZMGYSVKNWYVNDB-GFCCVEGCSA-N 1 0 305.338 1.044 20 5 DDBDRO CCCC[C@@H](C[NH3+])NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000834312821 707028237 /nfs/dbraw/zinc/02/82/37/707028237.db2.gz JOVSKHRICMDZHL-LBPRGKRZSA-N 1 0 319.365 1.578 20 5 DDBDRO Cc1cc(F)cc(C(=O)N2CCC3(C[NH+](C)C3)C2)c1[N+](=O)[O-] ZINC000834526643 707081065 /nfs/dbraw/zinc/08/10/65/707081065.db2.gz TZNOAHYBBFNHOM-UHFFFAOYSA-N 1 0 307.325 1.820 20 5 DDBDRO CC[C@@H]1COCCN1CCNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000871760060 707190421 /nfs/dbraw/zinc/19/04/21/707190421.db2.gz DZNOICJLDGEFQA-CYBMUJFWSA-N 1 0 322.365 1.827 20 5 DDBDRO C[C@H]([NH2+]C[C@@H](O)c1cnn(C)c1)c1c(F)cccc1[N+](=O)[O-] ZINC000872039690 707283865 /nfs/dbraw/zinc/28/38/65/707283865.db2.gz UFKMKYKHPJEMKM-TVQRCGJNSA-N 1 0 308.313 1.852 20 5 DDBDRO C[C@H](NC[C@@H]1C[N@H+](C)CCN1C)c1c(F)cccc1[N+](=O)[O-] ZINC000872036703 707284443 /nfs/dbraw/zinc/28/44/43/707284443.db2.gz VKXWGKMFSIKDOI-NWDGAFQWSA-N 1 0 310.373 1.630 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]Cc1ccnc(F)c1 ZINC000872223785 707336417 /nfs/dbraw/zinc/33/64/17/707336417.db2.gz XVGSCDXCBJIIFC-LBPRGKRZSA-N 1 0 321.308 1.658 20 5 DDBDRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000836948428 707553142 /nfs/dbraw/zinc/55/31/42/707553142.db2.gz RFZWPUMJJBDNNX-LLVKDONJSA-N 1 0 306.366 1.733 20 5 DDBDRO Cc1n[nH]c(C(=O)N2CCC(C)([NH+]3CCC3)CC2)c1[N+](=O)[O-] ZINC000882503866 707670259 /nfs/dbraw/zinc/67/02/59/707670259.db2.gz XXBPVFVCRYJUMX-UHFFFAOYSA-N 1 0 307.354 1.327 20 5 DDBDRO O=[N+]([O-])c1cnc(N2CCC[C@H]([NH2+]C3CCOCC3)C2)c(F)c1 ZINC000882727219 707763217 /nfs/dbraw/zinc/76/32/17/707763217.db2.gz PDGVZQYJWSTQGC-LBPRGKRZSA-N 1 0 324.356 1.866 20 5 DDBDRO C[N@H+](CCNc1c(Cl)cccc1[N+](=O)[O-])CCOCCO ZINC000882952289 707868672 /nfs/dbraw/zinc/86/86/72/707868672.db2.gz PIHIVJXXDYDKEJ-UHFFFAOYSA-N 1 0 317.773 1.601 20 5 DDBDRO CC[N@@H+]1CC[C@@H]1CNc1nc(C)cc(C(=O)OC)c1[N+](=O)[O-] ZINC000882959938 707873365 /nfs/dbraw/zinc/87/33/65/707873365.db2.gz UNGAMZIXRLKQSB-SNVBAGLBSA-N 1 0 308.338 1.591 20 5 DDBDRO Cc1ccc(C[NH2+]CC[C@H]2CCCS2(=O)=O)cc1[N+](=O)[O-] ZINC000883300820 707970724 /nfs/dbraw/zinc/97/07/24/707970724.db2.gz JIAIYGVUPLEPGN-CYBMUJFWSA-N 1 0 312.391 1.960 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)NC(C)(C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000839442068 708048063 /nfs/dbraw/zinc/04/80/63/708048063.db2.gz UXEFIISLSJRMJZ-UHFFFAOYSA-N 1 0 324.337 1.881 20 5 DDBDRO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839461964 708049467 /nfs/dbraw/zinc/04/94/67/708049467.db2.gz AFTAHLQBBVQCNW-IJLUTSLNSA-N 1 0 309.391 1.666 20 5 DDBDRO C[NH2+][C@H]1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCCO3)C1 ZINC000884008927 708100333 /nfs/dbraw/zinc/10/03/33/708100333.db2.gz GGNUARMGBPLBKM-JTQLQIEISA-N 1 0 321.333 1.190 20 5 DDBDRO CN1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC[N@H+](C)CC1 ZINC000897099373 708229842 /nfs/dbraw/zinc/22/98/42/708229842.db2.gz YXTODQIODJTRTB-UHFFFAOYSA-N 1 0 312.801 1.932 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@]2(O)CC[N@@H+](C)C2)c1C ZINC000897397983 708315186 /nfs/dbraw/zinc/31/51/86/708315186.db2.gz PENAQBOCEMSDCF-HNNXBMFYSA-N 1 0 307.350 1.008 20 5 DDBDRO O=[N+]([O-])c1ncccc1CN1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000886192018 708711825 /nfs/dbraw/zinc/71/18/25/708711825.db2.gz DIAAXUMHCBEPEN-CQSZACIVSA-N 1 0 320.393 1.534 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2C[C@@H]3CSC[C@@H]3C2)c1 ZINC000886553844 708776858 /nfs/dbraw/zinc/77/68/58/708776858.db2.gz WQCPYQCMYSXJAN-SCRDCRAPSA-N 1 0 324.402 1.629 20 5 DDBDRO COc1ccc(C(=O)N2CC([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000898616482 708814005 /nfs/dbraw/zinc/81/40/05/708814005.db2.gz KVUBFTDRRPAYLQ-UHFFFAOYSA-N 1 0 305.334 1.524 20 5 DDBDRO CC(C)COC[C@H](O)C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000912762190 713087549 /nfs/dbraw/zinc/08/75/49/713087549.db2.gz KNMBLPPZVKYNGZ-CABCVRRESA-N 1 0 312.366 1.251 20 5 DDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC000900159758 709311148 /nfs/dbraw/zinc/31/11/48/709311148.db2.gz PVFIATGNZBNBEY-WFASDCNBSA-N 1 0 307.350 1.008 20 5 DDBDRO COc1cccc(C(=O)N2CC[C@@H]([NH+]3CCC3)C2)c1[N+](=O)[O-] ZINC000912910474 713121075 /nfs/dbraw/zinc/12/10/75/713121075.db2.gz ZKTHLACZMAZQMQ-LLVKDONJSA-N 1 0 305.334 1.524 20 5 DDBDRO CC[N@@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)[C@H](C)C1 ZINC000910280396 709862253 /nfs/dbraw/zinc/86/22/53/709862253.db2.gz QYAJVGDLARNIFZ-SNVBAGLBSA-N 1 0 324.356 1.872 20 5 DDBDRO C[NH2+]C[C@H]1CCCCN1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000891410601 710190816 /nfs/dbraw/zinc/19/08/16/710190816.db2.gz SLDZULCNHFLXGY-OAHLLOKOSA-N 1 0 320.393 1.921 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCN(c3nccn4cncc34)CC2)cc1 ZINC000891450213 710205334 /nfs/dbraw/zinc/20/53/34/710205334.db2.gz DZSBEHOCUHPGSP-UHFFFAOYSA-N 1 0 324.344 1.964 20 5 DDBDRO C[C@@H](NC(=O)N[C@H]1CC[NH2+]C[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000892092663 710370373 /nfs/dbraw/zinc/37/03/73/710370373.db2.gz KVCZYBPVWLDZRA-WZRBSPASSA-N 1 0 306.366 1.953 20 5 DDBDRO COc1cc([N+](=O)[O-])cnc1N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000892319961 710416427 /nfs/dbraw/zinc/41/64/27/710416427.db2.gz REYONNNCJQWKFP-STQMWFEESA-N 1 0 322.365 1.034 20 5 DDBDRO Cc1ccc(CNC(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000892536672 710453735 /nfs/dbraw/zinc/45/37/35/710453735.db2.gz IDYOZKRXRDBCMR-KGLIPLIRSA-N 1 0 318.377 1.797 20 5 DDBDRO C[NH2+][C@H]1CCCN(C(=O)NCc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000892536896 710454080 /nfs/dbraw/zinc/45/40/80/710454080.db2.gz LLODHWNMCUPFKJ-ZDUSSCGKSA-N 1 0 306.366 1.797 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1NCC1([NH+]2CCCCC2)CCOCC1 ZINC000892605395 710468082 /nfs/dbraw/zinc/46/80/82/710468082.db2.gz RIAMKFIPQMVVAO-UHFFFAOYSA-N 1 0 323.397 1.775 20 5 DDBDRO C[C@H]1[C@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC[N@@H+]1C ZINC000928446195 713200220 /nfs/dbraw/zinc/20/02/20/713200220.db2.gz VCVPHJQOJPNRSR-TVQRCGJNSA-N 1 0 302.334 1.899 20 5 DDBDRO C[C@@H]1[C@@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC[N@@H+]1C ZINC000928453738 713204153 /nfs/dbraw/zinc/20/41/53/713204153.db2.gz PVXJLFAKZKTQIB-KOLCDFICSA-N 1 0 321.333 1.188 20 5 DDBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902467274 710762752 /nfs/dbraw/zinc/76/27/52/710762752.db2.gz OPCMLNLHQFCBLC-OBCWZRDOSA-N 1 0 318.377 1.794 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C)[C@@H](C(C)(C)C)C1 ZINC000912030201 711133287 /nfs/dbraw/zinc/13/32/87/711133287.db2.gz AYMIKHFBKSBJJM-CYBMUJFWSA-N 1 0 308.382 1.736 20 5 DDBDRO CN1CCN(c2c3cc(F)ccc3ncc2[N+](=O)[O-])C[C@H]1CO ZINC000894881985 711307057 /nfs/dbraw/zinc/30/70/57/711307057.db2.gz QCRFMVXEHAZYFD-NSHDSACASA-N 1 0 320.324 1.395 20 5 DDBDRO C[C@@H]1C[NH2+]C[C@H]1NCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000903960458 711348299 /nfs/dbraw/zinc/34/82/99/711348299.db2.gz LIAMERNOUMUZOJ-LDYMZIIASA-N 1 0 301.293 1.894 20 5 DDBDRO O=C1N(CC[NH2+]Cc2cccc([N+](=O)[O-])c2)C[C@@H]2CCCCN12 ZINC000895345171 711490494 /nfs/dbraw/zinc/49/04/94/711490494.db2.gz YBBSPVAKJAIKTM-HNNXBMFYSA-N 1 0 318.377 1.975 20 5 DDBDRO COc1cc(OC)cc(N2CC[C@H](C[NH2+]CC[N+](=O)[O-])C2)c1 ZINC000905161866 711956163 /nfs/dbraw/zinc/95/61/63/711956163.db2.gz UINHAGCETYRDHA-GFCCVEGCSA-N 1 0 309.366 1.396 20 5 DDBDRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNCC[N+](=O)[O-] ZINC000905290590 711994437 /nfs/dbraw/zinc/99/44/37/711994437.db2.gz KMYDQPZXMZQUOZ-HZPDHXFCSA-N 1 0 307.394 1.390 20 5 DDBDRO C[C@@]1(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCCCO1 ZINC000905592420 712088661 /nfs/dbraw/zinc/08/86/61/712088661.db2.gz YXPCYLDMRHDKIQ-HOCLYGCPSA-N 1 0 324.377 1.883 20 5 DDBDRO C[C@@H](C[NH2+]C1CC[NH+](CC(=O)[O-])CC1)c1ccccc1[N+](=O)[O-] ZINC000905776205 712144398 /nfs/dbraw/zinc/14/43/98/712144398.db2.gz PUCAPPRCAZVFQM-LBPRGKRZSA-N 1 0 321.377 1.837 20 5 DDBDRO C[N@H+](Cc1cn(CCn2cc([N+](=O)[O-])cn2)nn1)C(C)(C)C ZINC000905802375 712149423 /nfs/dbraw/zinc/14/94/23/712149423.db2.gz XENOKUVBFLHPIN-UHFFFAOYSA-N 1 0 307.358 1.313 20 5 DDBDRO CN1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC[N@H+](C)CC1 ZINC000929115484 713549628 /nfs/dbraw/zinc/54/96/28/713549628.db2.gz HZRWZINWYAGOPZ-UHFFFAOYSA-N 1 0 321.381 1.306 20 5 DDBDRO Cc1cncc([N+](=O)[O-])c1NC(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000930875223 713947640 /nfs/dbraw/zinc/94/76/40/713947640.db2.gz LMBKRLRZBVXPQV-GFCCVEGCSA-N 1 0 321.381 1.667 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@@H]([NH+](C)C)[C@@H]1C ZINC000931045691 713990154 /nfs/dbraw/zinc/99/01/54/713990154.db2.gz QFAPQQDJDHOTRW-QWHCGFSZSA-N 1 0 320.393 1.866 20 5 DDBDRO Cn1nccc1[C@H](O)C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000922973787 714201204 /nfs/dbraw/zinc/20/12/04/714201204.db2.gz RWOLSVMYNIDHMF-CSPWOOARSA-N 1 0 302.334 1.665 20 5 DDBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NCC1([NH+](C)C)CC1 ZINC000922992890 714206477 /nfs/dbraw/zinc/20/64/77/714206477.db2.gz FRKZSLQSIWVJRL-UHFFFAOYSA-N 1 0 320.393 1.873 20 5 DDBDRO COC[C@@H](C)OC[C@H](O)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000932178371 714279753 /nfs/dbraw/zinc/27/97/53/714279753.db2.gz ZMVNOKNCWLRJBS-LALPHHSUSA-N 1 0 312.366 1.658 20 5 DDBDRO CC1(C)C[NH2+]CCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000923293000 714299737 /nfs/dbraw/zinc/29/97/37/714299737.db2.gz NVLZQEBCRUKBGT-CYBMUJFWSA-N 1 0 309.366 1.018 20 5 DDBDRO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000932455630 714336472 /nfs/dbraw/zinc/33/64/72/714336472.db2.gz MGTPULJXCJEJCM-HNNXBMFYSA-N 1 0 321.377 1.963 20 5 DDBDRO CC(C)[C@@H]1C[NH2+]CCN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000923399982 714342591 /nfs/dbraw/zinc/34/25/91/714342591.db2.gz UEDKCAZNYKLCBZ-HOCLYGCPSA-N 1 0 323.393 1.264 20 5 DDBDRO C[C@@H]1[C@H](C)[NH2+]C[C@H](C)N1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000923437194 714355131 /nfs/dbraw/zinc/35/51/31/714355131.db2.gz WNRGBTNLKQDSTA-RMRHIDDWSA-N 1 0 323.393 1.405 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1[C@H](C)C[NH2+][C@H](C)[C@@H]1C ZINC000923439424 714356164 /nfs/dbraw/zinc/35/61/64/714356164.db2.gz DCFZEZGBVGUJAZ-UPJWGTAASA-N 1 0 320.393 1.912 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923522128 714389506 /nfs/dbraw/zinc/38/95/06/714389506.db2.gz VWHWQCSKIAYLLG-QWHCGFSZSA-N 1 0 318.377 1.383 20 5 DDBDRO O=C(CN1CC[C@@]2(C1)CCCC[NH2+]2)Nc1ccccc1[N+](=O)[O-] ZINC000923537015 714393554 /nfs/dbraw/zinc/39/35/54/714393554.db2.gz RBJMWACUOOEWJE-MRXNPFEDSA-N 1 0 318.377 1.751 20 5 DDBDRO CN1CCN(CCOc2ccccc2[N+](=O)[O-])CC[N@H+](C)CC1 ZINC000933997054 714718583 /nfs/dbraw/zinc/71/85/83/714718583.db2.gz SDXGVYWMRFKRNR-UHFFFAOYSA-N 1 0 322.409 1.153 20 5 DDBDRO C[C@H](C[C@@H]1CCC(=O)N1)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000925382648 714836657 /nfs/dbraw/zinc/83/66/57/714836657.db2.gz MHTAKUHZWJZBLH-NEPJUHHUSA-N 1 0 307.350 1.620 20 5 DDBDRO C[N@@H+]1CC[C@H]1CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000925410421 714846941 /nfs/dbraw/zinc/84/69/41/714846941.db2.gz RNDCEQFXXKGJLE-HNNXBMFYSA-N 1 0 318.377 1.973 20 5 DDBDRO CCC(=O)NC1CC2(C1)CC([NH2+]Cc1c([N+](=O)[O-])ncn1C)C2 ZINC000963432792 717786616 /nfs/dbraw/zinc/78/66/16/717786616.db2.gz HZVSROBCJMSZNF-UHFFFAOYSA-N 1 0 321.381 1.255 20 5 DDBDRO C[N@@H+]1CCO[C@@H]2CN(c3ncnc4cc([N+](=O)[O-])ccc43)C[C@H]21 ZINC001164667332 719389421 /nfs/dbraw/zinc/38/94/21/719389421.db2.gz NVBGKOPMJYIDNC-ZIAGYGMSSA-N 1 0 315.333 1.057 20 5 DDBDRO COCc1cc([N+](=O)[O-])ccc1N[C@@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC001120873810 782202071 /nfs/dbraw/zinc/20/20/71/782202071.db2.gz GYEXGHRHKQUKQF-LRDDRELGSA-N 1 0 322.409 1.787 20 5 DDBDRO COC(=O)c1ncc([N+](=O)[O-])cc1NCc1ccnc(N)c1 ZINC001167618733 734838175 /nfs/dbraw/zinc/83/81/75/734838175.db2.gz NUCFPSWHOUHQMB-UHFFFAOYSA-N 1 0 303.278 1.366 20 5 DDBDRO CC(C)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC001025684976 736820173 /nfs/dbraw/zinc/82/01/73/736820173.db2.gz CLNARFRWAZCAIS-FICVDOATSA-N 1 0 303.362 1.797 20 5 DDBDRO CC(F)(F)C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001019932931 736945226 /nfs/dbraw/zinc/94/52/26/736945226.db2.gz RAKCKKZNFFWQGH-XYPYZODXSA-N 1 0 313.304 1.987 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])c(Cl)cc1-n1ccc(CC[NH3+])n1 ZINC001167732069 737227652 /nfs/dbraw/zinc/22/76/52/737227652.db2.gz LAMGJSMGPLYGMT-UHFFFAOYSA-N 1 0 324.724 1.722 20 5 DDBDRO CC(C)(C)OCC(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001125951366 737913929 /nfs/dbraw/zinc/91/39/29/737913929.db2.gz MTFWZWHSIXSMMS-UHFFFAOYSA-N 1 0 309.366 1.616 20 5 DDBDRO O=C(NCC[NH2+]Cc1ccccc1[N+](=O)[O-])C1(C(F)F)CC1 ZINC001127218940 744512354 /nfs/dbraw/zinc/51/23/54/744512354.db2.gz GRBLNHZWRMVKEW-UHFFFAOYSA-N 1 0 313.304 1.846 20 5 DDBDRO C[C@@H](CCCC(C)(C)O)Nc1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-] ZINC001168712973 747314574 /nfs/dbraw/zinc/31/45/74/747314574.db2.gz WUTLWDVQDVGQCR-JTQLQIEISA-N 1 0 323.397 1.813 20 5 DDBDRO CCc1ccc(C[NH+]2CC(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cc1 ZINC001031661428 747337514 /nfs/dbraw/zinc/33/75/14/747337514.db2.gz XUYPBCOOIHLWOX-HZPDHXFCSA-N 1 0 317.389 1.462 20 5 DDBDRO COCCCCC[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001200471847 748265043 /nfs/dbraw/zinc/26/50/43/748265043.db2.gz KQMGVOXPMIDOQE-ZIAGYGMSSA-N 1 0 313.398 1.049 20 5 DDBDRO CC[NH+](CC)CC(=O)NCCCN(C)c1ccc([N+](=O)[O-])cc1 ZINC001095567109 750045764 /nfs/dbraw/zinc/04/57/64/750045764.db2.gz QUOJVAYIMPGLQR-UHFFFAOYSA-N 1 0 322.409 1.879 20 5 DDBDRO Cc1nc(CC[NH3+])nn1-c1ncnc2cc(F)c([N+](=O)[O-])cc21 ZINC001168985529 762153029 /nfs/dbraw/zinc/15/30/29/762153029.db2.gz MRZIEGUCNLODFR-UHFFFAOYSA-N 1 0 317.284 1.067 20 5 DDBDRO CN1C(=O)CCC12CCC([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001168964215 762157650 /nfs/dbraw/zinc/15/76/50/762157650.db2.gz RVLWLJUPWVEYQU-PGOFDVKTSA-N 1 0 309.410 1.955 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2ccnc(OC3CCC3)n2)C1 ZINC001168994622 762167643 /nfs/dbraw/zinc/16/76/43/762167643.db2.gz QNAKDNIQRGRGGL-VXGBXAGGSA-N 1 0 306.366 1.943 20 5 DDBDRO O=C(c1ccccc1)N1CC[C@@H]([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168994086 762167802 /nfs/dbraw/zinc/16/78/02/762167802.db2.gz OXBJRBWPMOGJKW-NUEKZKHPSA-N 1 0 317.389 1.936 20 5 DDBDRO O=C(c1ccncc1)N1CC[C@@H]([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168994107 762168048 /nfs/dbraw/zinc/16/80/48/762168048.db2.gz PFTKVRYYCWFMOX-VHDGCEQUSA-N 1 0 318.377 1.331 20 5 DDBDRO O=C(c1ccccc1)N1CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169006908 762174858 /nfs/dbraw/zinc/17/48/58/762174858.db2.gz KDSGYJVLWAMQEP-GDBMZVCRSA-N 1 0 317.389 1.890 20 5 DDBDRO O=C(C1CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1)N1CCCC1 ZINC001169027119 762183204 /nfs/dbraw/zinc/18/32/04/762183204.db2.gz PEBQPGODMQBGEL-HIFRSBDPSA-N 1 0 309.410 1.766 20 5 DDBDRO CN(C)C(=O)[C@@H]1CC12CC[NH+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169026428 762203203 /nfs/dbraw/zinc/20/32/03/762203203.db2.gz WXKFBISZKCXFMS-RDBSUJKOSA-N 1 0 309.410 1.622 20 5 DDBDRO O=C(N1CCCC1)C12CC(C1)C[N@H+]2[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169026252 762203227 /nfs/dbraw/zinc/20/32/27/762203227.db2.gz WOEASBNNHKOJIK-REWIBIJMSA-N 1 0 307.394 1.519 20 5 DDBDRO CCOC(=O)[C@@H]1C[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CCS1 ZINC001169046746 762204844 /nfs/dbraw/zinc/20/48/44/762204844.db2.gz MKCKNRQCOBDCHI-WOPDTQHZSA-N 1 0 302.396 1.412 20 5 DDBDRO Cc1cnc(N2CC[NH+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)nc1 ZINC001169048636 762205967 /nfs/dbraw/zinc/20/59/67/762205967.db2.gz AGPCUPOTNFPNKJ-KBPBESRZSA-N 1 0 305.382 1.352 20 5 DDBDRO COc1ccc(N2CC[NH+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)nc1 ZINC001169057475 762210599 /nfs/dbraw/zinc/21/05/99/762210599.db2.gz VUCAIDMSGOIVMH-ZIAGYGMSSA-N 1 0 320.393 1.658 20 5 DDBDRO [NH3+]CCCCCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000698119907 753748215 /nfs/dbraw/zinc/74/82/15/753748215.db2.gz OJORVKCUQIPLSC-UHFFFAOYSA-N 1 0 301.368 1.392 20 5 DDBDRO Cc1cc(N[C@H]2C[C@@H](NC(=O)CC[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC001097252239 757035350 /nfs/dbraw/zinc/03/53/50/757035350.db2.gz SMAVGMLXTBDMNB-OKILXGFUSA-N 1 0 320.393 1.914 20 5 DDBDRO CC(C)C[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])cc2C1 ZINC001054265679 759370607 /nfs/dbraw/zinc/37/06/07/759370607.db2.gz VRRMRHFCSOVVCW-HZPDHXFCSA-N 1 0 317.389 1.940 20 5 DDBDRO COC(=O)[C@@H](Nc1nc(Cl)nc(C)c1[N+](=O)[O-])C(C)(C)[NH3+] ZINC001155368277 761096132 /nfs/dbraw/zinc/09/61/32/761096132.db2.gz FDDRDGJHBJRXTF-SSDOTTSWSA-N 1 0 317.733 1.037 20 5 DDBDRO CC(C)(C)CC[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001001400000 762825118 /nfs/dbraw/zinc/82/51/18/762825118.db2.gz PDGVJJAJARKCDU-ZIAGYGMSSA-N 1 0 311.426 1.916 20 5 DDBDRO Cc1c(N[C@@H](C)[C@H]2C[NH2+]CCO2)ccc([N+](=O)[O-])c1[N+](=O)[O-] ZINC001170565642 768165206 /nfs/dbraw/zinc/16/52/06/768165206.db2.gz CBLFTAPNKHXFAG-JOYOIKCWSA-N 1 0 310.310 1.600 20 5 DDBDRO N=C(NCCCC[NH3+])Nc1nc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001157095891 764415387 /nfs/dbraw/zinc/41/53/87/764415387.db2.gz AAXNTQLKQCJDIS-UHFFFAOYSA-N 1 0 321.168 1.972 20 5 DDBDRO CCN(CCCNC(=O)CC[NH+](C)C)c1ccc([N+](=O)[O-])cn1 ZINC001095956215 765073728 /nfs/dbraw/zinc/07/37/28/765073728.db2.gz XKAROUANXPVEIL-UHFFFAOYSA-N 1 0 323.397 1.274 20 5 DDBDRO COc1ccc(C[C@@H](C)[NH2+][C@H]2COCC[C@@H]2O)c([N+](=O)[O-])c1 ZINC001170306749 766258747 /nfs/dbraw/zinc/25/87/47/766258747.db2.gz BHRHLBQBWCJAJN-DGFSRKRXSA-N 1 0 310.350 1.274 20 5 DDBDRO CNC(=O)CC[N@H+](C)[C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170346629 766277215 /nfs/dbraw/zinc/27/72/15/766277215.db2.gz OWUZMLKAXUCNCE-LLVKDONJSA-N 1 0 309.366 1.602 20 5 DDBDRO CCn1c(C[N+](=O)[O-])nnc1N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC001121698268 782632154 /nfs/dbraw/zinc/63/21/54/782632154.db2.gz FMIPUTPRBXVRJO-RYUDHWBXSA-N 1 0 310.402 1.241 20 5 DDBDRO CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H](Nc2ncccc2[N+](=O)[O-])C1 ZINC001097036649 771590965 /nfs/dbraw/zinc/59/09/65/771590965.db2.gz CNDZANFWLRWRHI-HAQNSBGRSA-N 1 0 321.381 1.389 20 5 DDBDRO O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1ncccc1F ZINC001135723441 771674249 /nfs/dbraw/zinc/67/42/49/771674249.db2.gz VBCLQTGJDDRZNT-UHFFFAOYSA-N 1 0 324.337 1.710 20 5 DDBDRO O=C(CCn1cccc1)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001135736813 771681122 /nfs/dbraw/zinc/68/11/22/771681122.db2.gz NUPOXYFQDKZLHP-UHFFFAOYSA-N 1 0 316.361 1.692 20 5 DDBDRO CC(C)[N@H+](C)CC(=O)NCCNc1ccc(F)cc1[N+](=O)[O-] ZINC001093674116 774988986 /nfs/dbraw/zinc/98/89/86/774988986.db2.gz PKUBDGLQZLSJCN-UHFFFAOYSA-N 1 0 312.345 1.602 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(NCCNC(=O)C[N@@H+](C)C2CCC2)n1 ZINC001094221985 775543803 /nfs/dbraw/zinc/54/38/03/775543803.db2.gz YUTAGGUZWKGOQP-UHFFFAOYSA-N 1 0 321.381 1.311 20 5 DDBDRO Cc1cc(N(C)CCNC(=O)CCC[NH+](C)C)ncc1[N+](=O)[O-] ZINC001100286552 775940432 /nfs/dbraw/zinc/94/04/32/775940432.db2.gz DAJNLNZXIOUHIW-UHFFFAOYSA-N 1 0 323.397 1.192 20 5 DDBDRO CC[N@H+](C)CCC(=O)NCCCNc1cc(C)c([N+](=O)[O-])cn1 ZINC001094574177 776049522 /nfs/dbraw/zinc/04/95/22/776049522.db2.gz QOJGOKDNSQRHDV-UHFFFAOYSA-N 1 0 323.397 1.558 20 5 DDBDRO C[NH+](C)CCCC(=O)NCCCNc1ncccc1[N+](=O)[O-] ZINC001094744797 776243231 /nfs/dbraw/zinc/24/32/31/776243231.db2.gz MNLINPOXUYIUIP-UHFFFAOYSA-N 1 0 309.370 1.250 20 5 DDBDRO CCN(CCNC(=O)CC[NH+](C)C)c1nccc(C)c1[N+](=O)[O-] ZINC001100700720 776451333 /nfs/dbraw/zinc/45/13/33/776451333.db2.gz HWIPRVCHKDBAEP-UHFFFAOYSA-N 1 0 323.397 1.192 20 5 DDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1COCCC12OCCO2 ZINC001173216287 777048161 /nfs/dbraw/zinc/04/81/61/777048161.db2.gz IFAQVLHGRDXTGB-IUODEOHRSA-N 1 0 322.361 1.647 20 5 DDBDRO Cc1nc[nH]c1C(=O)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001177563756 778648998 /nfs/dbraw/zinc/64/89/98/778648998.db2.gz CGVRFVNMTFRVMY-UHFFFAOYSA-N 1 0 317.349 1.536 20 5 DDBDRO O=C(NCC1([NH2+]CCC2CC2)CCCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001115530680 780217060 /nfs/dbraw/zinc/21/70/60/780217060.db2.gz LGEQJQDJABLQNS-ZIAGYGMSSA-N 1 0 309.410 1.860 20 5 DDBDRO CCOCC[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCCC1 ZINC001115530786 780217497 /nfs/dbraw/zinc/21/74/97/780217497.db2.gz RIZVDQUUPIQULA-CHWSQXEVSA-N 1 0 313.398 1.097 20 5 DDBDRO C[C@@H]1C[C@H](NC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC001117797906 780902291 /nfs/dbraw/zinc/90/22/91/780902291.db2.gz MZAQQTIFSNKMQN-MPKXVKKWSA-N 1 0 307.350 1.227 20 5 DDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC001118060723 781012233 /nfs/dbraw/zinc/01/22/33/781012233.db2.gz LGYLKECOKQESMD-GHMZBOCLSA-N 1 0 306.366 1.693 20 5 DDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC001118060726 781012422 /nfs/dbraw/zinc/01/24/22/781012422.db2.gz LGYLKECOKQESMD-MNOVXSKESA-N 1 0 306.366 1.693 20 5 DDBDRO Cc1nc[nH]c1C(=O)N(C)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001267478547 838146803 /nfs/dbraw/zinc/14/68/03/838146803.db2.gz SCLZCKIBJBTECA-UHFFFAOYSA-N 1 0 317.349 1.488 20 5 DDBDRO C[NH+](C)C[C@@H]1COCCN1c1ccc2ccc([N+](=O)[O-])cc2n1 ZINC001154967347 861609289 /nfs/dbraw/zinc/60/92/89/861609289.db2.gz IDVWLRIVODLXTQ-CQSZACIVSA-N 1 0 316.361 1.910 20 5 DDBDRO CCOc1nc(N2CCOC[C@H]2C[NH+](C)C)ccc1[N+](=O)[O-] ZINC001154978298 861617043 /nfs/dbraw/zinc/61/70/43/861617043.db2.gz RKHOHDGYNDSOCV-LLVKDONJSA-N 1 0 310.354 1.155 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H]2CCC[NH2+]C[C@H]2C)n1 ZINC001155030740 861661495 /nfs/dbraw/zinc/66/14/95/861661495.db2.gz RLXKRUKRAXQXGC-MNOVXSKESA-N 1 0 322.365 1.824 20 5 DDBDRO COc1nc(C)c([N+](=O)[O-])c(-n2cncc2C2CC[NH2+]CC2)n1 ZINC001155057985 861689777 /nfs/dbraw/zinc/68/97/77/861689777.db2.gz QDWNWLOGQGXMFO-UHFFFAOYSA-N 1 0 318.337 1.355 20 5 DDBDRO O=[N+]([O-])c1c(Cl)ccnc1NCc1nnn2c1C[NH2+]CCC2 ZINC001155390453 862029394 /nfs/dbraw/zinc/02/93/94/862029394.db2.gz PEHUNJVMRUXFSI-UHFFFAOYSA-N 1 0 323.744 1.340 20 5 DDBDRO COc1cc(C)nc(N[C@@H]2COCCC23C[NH2+]C3)c1[N+](=O)[O-] ZINC001155461789 862111980 /nfs/dbraw/zinc/11/19/80/862111980.db2.gz NHUDZANGHNSZIT-LLVKDONJSA-N 1 0 308.338 1.097 20 5 DDBDRO O=[N+]([O-])c1cnc(N[C@@H]2COCCC23C[NH2+]C3)c2ccccc21 ZINC001155462320 862113829 /nfs/dbraw/zinc/11/38/29/862113829.db2.gz PYMDGFRHKGAZEA-CQSZACIVSA-N 1 0 314.345 1.933 20 5 DDBDRO O=[N+]([O-])c1cc2ccccc2nc1NC[C@@]12C[NH2+][C@@H](CO1)C2 ZINC001155543433 862211171 /nfs/dbraw/zinc/21/11/71/862211171.db2.gz GZBLZQJVTZRMJT-IAQYHMDHSA-N 1 0 300.318 1.686 20 5 DDBDRO Cc1nc(NC[C@H]2CO[C@]3(C2)CCC[NH2+]C3)ccc1[N+](=O)[O-] ZINC001155593410 862270036 /nfs/dbraw/zinc/27/00/36/862270036.db2.gz ZDRJGCWAIHBXMH-WFASDCNBSA-N 1 0 306.366 1.869 20 5 DDBDRO Cc1nccn1CC(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001151141260 862646583 /nfs/dbraw/zinc/64/65/83/862646583.db2.gz NEBWQNXORHWNMT-UHFFFAOYSA-N 1 0 323.378 1.067 20 5 DDBDRO Cc1nc(N2CCC(CO)([NH2+]CC(C)C)CC2)ncc1[N+](=O)[O-] ZINC001328040842 862653912 /nfs/dbraw/zinc/65/39/12/862653912.db2.gz HRNGVSVRDKGYMR-UHFFFAOYSA-N 1 0 323.397 1.270 20 5 DDBDRO CN1CCC(CNc2ncc([N+](=O)[O-])cc2N)([NH+](C)C)CC1 ZINC001156185083 862790535 /nfs/dbraw/zinc/79/05/35/862790535.db2.gz MBOBLCHBPUZKKS-UHFFFAOYSA-N 1 0 308.386 1.010 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001122176031 858703619 /nfs/dbraw/zinc/70/36/19/858703619.db2.gz UIYLWDGKGLFFJA-GFCCVEGCSA-N 1 0 307.350 1.090 20 5 DDBDRO CCc1ccc(C(=O)N(C)C2(C[NH3+])CCOCC2)cc1[N+](=O)[O-] ZINC001122358569 858775304 /nfs/dbraw/zinc/77/53/04/858775304.db2.gz XZZJZYACGFLDKV-UHFFFAOYSA-N 1 0 321.377 1.737 20 5 DDBDRO CC(C)COCCC(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001123981279 859509785 /nfs/dbraw/zinc/50/97/85/859509785.db2.gz PPGYZFYWOWTQDR-UHFFFAOYSA-N 1 0 323.393 1.863 20 5 DDBDRO Cc1cc(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])nn1C ZINC001124281362 859665373 /nfs/dbraw/zinc/66/53/73/859665373.db2.gz GONVFPJGFASQMR-UHFFFAOYSA-N 1 0 317.349 1.156 20 5 DDBDRO Cc1ocnc1C(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001124375377 859697037 /nfs/dbraw/zinc/69/70/37/859697037.db2.gz IIKRFVBPKYMXNK-UHFFFAOYSA-N 1 0 304.306 1.411 20 5 DDBDRO O=C(NCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1ccnc(F)c1 ZINC001124526392 859730360 /nfs/dbraw/zinc/73/03/60/859730360.db2.gz AEISTHIBBHPZLG-UHFFFAOYSA-N 1 0 318.308 1.649 20 5 DDBDRO CN(c1c(Cl)[n+]([O-])ccc1[N+](=O)[O-])[C@@]1(C)CCC[NH2+]C1 ZINC001156968697 863485217 /nfs/dbraw/zinc/48/52/17/863485217.db2.gz WREKWXCLCSBQQI-LBPRGKRZSA-N 1 0 300.746 1.460 20 5 DDBDRO COC(=O)[C@@H](CCC[NH3+])Nc1nc(C)nc(Cl)c1[N+](=O)[O-] ZINC001157115043 863591830 /nfs/dbraw/zinc/59/18/30/863591830.db2.gz UJOPSHHBXSDPOL-SSDOTTSWSA-N 1 0 317.733 1.039 20 5 DDBDRO CC/C(C)=C\C(=O)NCCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001157551036 863916257 /nfs/dbraw/zinc/91/62/57/863916257.db2.gz RGUMNSIWALUADS-FLIBITNWSA-N 1 0 309.370 1.281 20 5 DDBDRO CC(C)c1ocnc1C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157767341 864118304 /nfs/dbraw/zinc/11/83/04/864118304.db2.gz LMMZVIVQHYXJGP-ZYHUDNBSSA-N 1 0 310.354 1.059 20 5 DDBDRO CSc1nc(Cl)nc(N2CC[C@](F)(C[NH3+])C2)c1[N+](=O)[O-] ZINC001157817319 864167927 /nfs/dbraw/zinc/16/79/27/864167927.db2.gz KVCCPKPPAIDNJF-JTQLQIEISA-N 1 0 321.765 1.637 20 5 DDBDRO Cc1nn(CCO)c(C)c1C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC001330341850 864255424 /nfs/dbraw/zinc/25/54/24/864255424.db2.gz CSLITYJDHSAPKX-UHFFFAOYSA-N 1 0 318.377 1.999 20 5 DDBDRO O=C(NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccccn1 ZINC001154133560 864433538 /nfs/dbraw/zinc/43/35/38/864433538.db2.gz WHHGGWXNWFGORB-UHFFFAOYSA-N 1 0 314.345 1.900 20 5 DDBDRO O=C(NC[C@@H]1C[NH+]2CCC1CC2)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001158269054 864530042 /nfs/dbraw/zinc/53/00/42/864530042.db2.gz MSBGFLTWPWCHQH-UKRRQHHQSA-N 1 0 319.361 1.086 20 5 DDBDRO CCOC(=O)c1ccnc(N2CCC[C@@](C)(C[NH3+])C2)c1[N+](=O)[O-] ZINC001158681854 864810455 /nfs/dbraw/zinc/81/04/55/864810455.db2.gz BGTZEIYBVWBSLL-HNNXBMFYSA-N 1 0 322.365 1.732 20 5 DDBDRO Cc1cc(NC[C@H]2COCC[NH2+]2)nc2ccc([N+](=O)[O-])cc12 ZINC001159043820 865069564 /nfs/dbraw/zinc/06/95/64/865069564.db2.gz YAAJSHWWDUMNDC-NSHDSACASA-N 1 0 302.334 1.852 20 5 DDBDRO C[C@@H](Nc1cnc2cc([N+](=O)[O-])ccc2n1)[C@H]1C[NH2+]CCO1 ZINC001159495085 865345205 /nfs/dbraw/zinc/34/52/05/865345205.db2.gz CLQCOKRGAPASJU-NOZJJQNGSA-N 1 0 303.322 1.327 20 5 DDBDRO C[C@@H](Nc1ncc([N+](=O)[O-])c2ccccc21)[C@@H]1C[NH2+]CCO1 ZINC001159497980 865349275 /nfs/dbraw/zinc/34/92/75/865349275.db2.gz PWVLVIOKFAXAHW-YGRLFVJLSA-N 1 0 302.334 1.932 20 5 DDBDRO CC[C@]([NH3+])(CO)Nc1cc(C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001159749411 865502263 /nfs/dbraw/zinc/50/22/63/865502263.db2.gz YUVLHRKSXIKDRF-OAHLLOKOSA-N 1 0 317.349 1.251 20 5 DDBDRO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccc(N)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC001159884669 865581532 /nfs/dbraw/zinc/58/15/32/865581532.db2.gz JVHDOLJHPXIQHN-DMDPSCGWSA-N 1 0 304.350 1.247 20 5 DDBDRO COC(=O)C(C)(C)C[N@H+](CC(C)C)Cn1cc([N+](=O)[O-])cn1 ZINC001332150311 865615241 /nfs/dbraw/zinc/61/52/41/865615241.db2.gz YCBIADKLOJABOZ-UHFFFAOYSA-N 1 0 312.370 1.906 20 5 DDBDRO O=[N+]([O-])c1cccc(-c2nc(-c3ccc4c(n3)CC[NH2+]C4)no2)n1 ZINC001213026718 866125797 /nfs/dbraw/zinc/12/57/97/866125797.db2.gz OOLWMFXRVPLFEK-UHFFFAOYSA-N 1 0 324.300 1.748 20 5 DDBDRO CCc1coc(CNc2ncnc(C3C[NH2+]C3)c2[N+](=O)[O-])n1 ZINC001162137373 867287170 /nfs/dbraw/zinc/28/71/70/867287170.db2.gz ARWSNUCZQWDMRY-UHFFFAOYSA-N 1 0 304.310 1.234 20 5 DDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001324697969 867459435 /nfs/dbraw/zinc/45/94/35/867459435.db2.gz PNYFIBGYZCYDMM-GHMZBOCLSA-N 1 0 304.350 1.318 20 5 DDBDRO Cc1nnc(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)n1C ZINC001321282527 867459450 /nfs/dbraw/zinc/45/94/50/867459450.db2.gz KFJMGKGBHCNKEN-VXGBXAGGSA-N 1 0 319.369 1.502 20 5 DDBDRO C[C@H]1C[NH2+]CCC[C@H]1CNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC001162461007 867549882 /nfs/dbraw/zinc/54/98/82/867549882.db2.gz MCPWQQASBQHHLJ-UWVGGRQHSA-N 1 0 307.354 1.136 20 5 DDBDRO COC(=O)c1cc(C)nc(NC[C@@H]2C[C@H](F)C[NH2+]2)c1[N+](=O)[O-] ZINC001162477134 867563360 /nfs/dbraw/zinc/56/33/60/867563360.db2.gz DVQYHZCDWDNLBK-IUCAKERBSA-N 1 0 312.301 1.197 20 5 DDBDRO COC(=O)COc1c(C)cc(-n2nccc2C[NH3+])cc1[N+](=O)[O-] ZINC001162597346 867668675 /nfs/dbraw/zinc/66/86/75/867668675.db2.gz LFNDMPFBCFIZQY-UHFFFAOYSA-N 1 0 320.305 1.099 20 5 DDBDRO CCOC1(OCC)CC[NH2+]C[C@H]1Nc1cc([N+](=O)[O-])c(C)cn1 ZINC001162733584 867782457 /nfs/dbraw/zinc/78/24/57/867782457.db2.gz PIASYOWQTSTERN-CYBMUJFWSA-N 1 0 324.381 1.841 20 5 DDBDRO O=[N+]([O-])c1cnc(NC[C@@H]2CCC3(CC[NH2+]CC3)CO2)nc1 ZINC001162956044 867944590 /nfs/dbraw/zinc/94/45/90/867944590.db2.gz IPKODQFQPJBBHP-LBPRGKRZSA-N 1 0 307.354 1.346 20 5 DDBDRO C[NH2+][C@H](C)CCNC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC001325371576 867975920 /nfs/dbraw/zinc/97/59/20/867975920.db2.gz KVDBUFRRIFTQKC-LLVKDONJSA-N 1 0 310.354 1.271 20 5 DDBDRO COCC(=O)NCCC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001163029785 868017485 /nfs/dbraw/zinc/01/74/85/868017485.db2.gz IZXUAQGRJMTNQH-UHFFFAOYSA-N 1 0 321.377 1.617 20 5 DDBDRO Nc1ccnc(NCC[C@H]2C[NH2+]Cc3cccn3C2)c1[N+](=O)[O-] ZINC001163057688 868044255 /nfs/dbraw/zinc/04/42/55/868044255.db2.gz RESBGZSFADFSLD-NSHDSACASA-N 1 0 316.365 1.595 20 5 DDBDRO Cc1nc(N2CCC(C3=CC=C(N)C[NH2+]3)CC2)ccc1[N+](=O)[O-] ZINC001163128879 868134855 /nfs/dbraw/zinc/13/48/55/868134855.db2.gz DFEDMIAYQISBLS-UHFFFAOYSA-N 1 0 315.377 1.844 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCNc2ncccn2)c1 ZINC001335315013 868219697 /nfs/dbraw/zinc/21/96/97/868219697.db2.gz SFZBUPITMVLHPG-CYBMUJFWSA-N 1 0 303.322 1.120 20 5 DDBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H](O)CC2(CO)CCCC2)cc1 ZINC001335316904 868221376 /nfs/dbraw/zinc/22/13/76/868221376.db2.gz FSXBSPLAGNHJJD-OAHLLOKOSA-N 1 0 308.378 1.988 20 5 DDBDRO CN(C)c1ccc(N[C@@H]2CCO[C@@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC001163327494 868357294 /nfs/dbraw/zinc/35/72/94/868357294.db2.gz JZDNSUSESSVUFL-WBMJQRKESA-N 1 0 320.393 1.984 20 5 DDBDRO CC(C)(C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)n1ccnc1 ZINC001336845930 869180543 /nfs/dbraw/zinc/18/05/43/869180543.db2.gz SHLMNAPRQPNXPB-AWEZNQCLSA-N 1 0 304.350 1.850 20 5 DDBDRO O=[N+]([O-])c1ccc2nccc(N3C[C@H](CCO)[C@H](CO)C3)c2c1 ZINC001336870502 869192412 /nfs/dbraw/zinc/19/24/12/869192412.db2.gz VJABJNMPJXLLOD-RYUDHWBXSA-N 1 0 317.345 1.570 20 5 DDBDRO C[N@H+](C1CN(c2ncc([N+](=O)[O-])cc2Cl)C1)[C@@H]1CCOC1 ZINC001165204086 869427327 /nfs/dbraw/zinc/42/73/27/869427327.db2.gz SYHIYCJPNIKKKD-SECBINFHSA-N 1 0 312.757 1.553 20 5 DDBDRO COC(=O)c1ccnc(N2CC[C@]3(C2)CCC[NH2+]C3)c1[N+](=O)[O-] ZINC001165238405 869458868 /nfs/dbraw/zinc/45/88/68/869458868.db2.gz ADJAAYMZCSLUAX-OAHLLOKOSA-N 1 0 320.349 1.356 20 5 DDBDRO Cc1nc2c(n1-c1cc([N+](=O)[O-])cc(Cl)n1)CC[NH2+]CC2 ZINC001165352418 869539961 /nfs/dbraw/zinc/53/99/61/869539961.db2.gz SORDISIGQFNPMM-UHFFFAOYSA-N 1 0 307.741 1.826 20 5 DDBDRO C[C@@H](c1nnc(N2CCC[C@@H]([NH+]3CCCC3)C2)n1C)[N+](=O)[O-] ZINC001338059376 869773505 /nfs/dbraw/zinc/77/35/05/869773505.db2.gz ZCSWWNGQAGVZIG-NWDGAFQWSA-N 1 0 308.386 1.217 20 5 DDBDRO C[C@@H](NC(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)c1ccccc1[N+](=O)[O-] ZINC001338667742 870107413 /nfs/dbraw/zinc/10/74/13/870107413.db2.gz VNESZYXEIPVVKO-FRRDWIJNSA-N 1 0 318.377 1.907 20 5 DDBDRO CCOCCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001317108673 870265867 /nfs/dbraw/zinc/26/58/67/870265867.db2.gz WUALJOWHNUEPJN-OKILXGFUSA-N 1 0 321.377 1.758 20 5 DDBDRO COc1cnc(N2CCC([C@H]3CCC[NH2+]3)CC2)c([N+](=O)[O-])c1 ZINC001166903505 870353351 /nfs/dbraw/zinc/35/33/51/870353351.db2.gz WHHWAKXPGOGWDU-CYBMUJFWSA-N 1 0 306.366 1.967 20 5 DDBDRO CCn1c(CCC[N+](=O)[O-])nnc1N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC001340012702 870837016 /nfs/dbraw/zinc/83/70/16/870837016.db2.gz TVFQQSITVPWUBU-QWHCGFSZSA-N 1 0 324.429 1.426 20 5 DDBDRO O=C(NC[C@@H]1C[NH+]2CCC1CC2)c1cc(F)ccc1[N+](=O)[O-] ZINC001304523579 871221310 /nfs/dbraw/zinc/22/13/10/871221310.db2.gz ACUSTPLRZDFEGD-LLVKDONJSA-N 1 0 307.325 1.806 20 5 DDBDRO O=C([C@@H]1[C@@H]2CC[NH2+]C[C@@H]21)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001340652072 871260236 /nfs/dbraw/zinc/26/02/36/871260236.db2.gz DVRSLLRLNCMNBD-OWCLPIDISA-N 1 0 315.373 1.941 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCC[N@@H+]1C ZINC001340856771 871390138 /nfs/dbraw/zinc/39/01/38/871390138.db2.gz JXJSOYXBNJLVIS-CYBMUJFWSA-N 1 0 320.393 1.875 20 5 DDBDRO O=C1N[C@@H]2C[N@H+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)CC[C@H]2CO1 ZINC001307906486 871458397 /nfs/dbraw/zinc/45/83/97/871458397.db2.gz XVJIOYUVBHCPAF-IACUBPJLSA-N 1 0 321.333 1.059 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C1CC(CC(N)=O)C1 ZINC001308518451 871505844 /nfs/dbraw/zinc/50/58/44/871505844.db2.gz RZSUVKVIOIGWIP-UHFFFAOYSA-N 1 0 307.350 1.737 20 5 DDBDRO COCC[NH+]1CCC(Oc2cc(OC)c([N+](=O)[O-])cn2)CC1 ZINC001226581298 882521699 /nfs/dbraw/zinc/52/16/99/882521699.db2.gz NGYUXOKYRMRZDE-UHFFFAOYSA-N 1 0 311.338 1.488 20 5 DDBDRO COc1cc(C(=O)N2CCC[C@H]3CC[C@]32C[NH3+])ccc1[N+](=O)[O-] ZINC001341439523 871660940 /nfs/dbraw/zinc/66/09/40/871660940.db2.gz IWVNQNBPNVFXKN-LRDDRELGSA-N 1 0 319.361 1.947 20 5 DDBDRO O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCC(OC2C[NH2+]C2)CC1 ZINC001342490372 872235485 /nfs/dbraw/zinc/23/54/85/872235485.db2.gz JUGYRYYELCZSKL-UHFFFAOYSA-N 1 0 323.324 1.327 20 5 DDBDRO CCC(=O)N1CCC(CC[NH2+]Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC001318858915 872308127 /nfs/dbraw/zinc/30/81/27/872308127.db2.gz FSWMQSFKUCTXRZ-UHFFFAOYSA-N 1 0 323.397 1.457 20 5 DDBDRO COc1cccc(C(=O)N2CC[C@H](C[NH3+])[C@H](C)C2)c1[N+](=O)[O-] ZINC001342646941 872312312 /nfs/dbraw/zinc/31/23/12/872312312.db2.gz WEPSXZULCBIVBK-GHMZBOCLSA-N 1 0 307.350 1.660 20 5 DDBDRO O=C(N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1ccc([N+](=O)[O-])c2cccnc12 ZINC001342940403 872443653 /nfs/dbraw/zinc/44/36/53/872443653.db2.gz CLHIFJILXBAAQM-ZWKOPEQDSA-N 1 0 312.329 1.766 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CCC[C@]12CC[NH2+]C2 ZINC001343031527 872474872 /nfs/dbraw/zinc/47/48/72/872474872.db2.gz HDPLVMNGMMSUKK-OAHLLOKOSA-N 1 0 323.324 1.467 20 5 DDBDRO COC(=O)CC(C)(C)[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC001319569066 872696617 /nfs/dbraw/zinc/69/66/17/872696617.db2.gz ZXOFFPBDQFHSPP-UHFFFAOYSA-N 1 0 311.338 1.030 20 5 DDBDRO Cc1cc(NC(=O)[C@H]2[NH2+]CC23CCOCC3)cc([N+](=O)[O-])c1 ZINC001343681006 872716761 /nfs/dbraw/zinc/71/67/61/872716761.db2.gz ICIUZRIIVIHNOC-CYBMUJFWSA-N 1 0 305.334 1.610 20 5 DDBDRO O=C(CNc1ccccc1[N+](=O)[O-])NC1(C2CC[NH2+]CC2)CC1 ZINC001345477468 873416886 /nfs/dbraw/zinc/41/68/86/873416886.db2.gz HUZBXWMDMNQZKD-UHFFFAOYSA-N 1 0 318.377 1.655 20 5 DDBDRO CN(C)[C@H](C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC001346110393 873615246 /nfs/dbraw/zinc/61/52/46/873615246.db2.gz QEHOPXXTONJUGB-DZGCQCFKSA-N 1 0 323.393 1.264 20 5 DDBDRO CC[NH+](CC)CC[C@H](C)NC(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC001351127068 876071529 /nfs/dbraw/zinc/07/15/29/876071529.db2.gz NSRKPYHRJNUCHF-JTQLQIEISA-N 1 0 311.386 1.487 20 5 DDBDRO CC(=O)Nc1ccc(C(C)=O)c(O[C@H]2CCC[NH2+]C2)c1[N+](=O)[O-] ZINC001218288442 877446572 /nfs/dbraw/zinc/44/65/72/877446572.db2.gz WQSULBJHROPTJX-NSHDSACASA-N 1 0 321.333 1.887 20 5 DDBDRO COCC[C@H]1C[NH2+]CCN1C(=O)Cc1cccc([N+](=O)[O-])c1C ZINC001355559025 878617736 /nfs/dbraw/zinc/61/77/36/878617736.db2.gz LTVXAUJEJBXJQG-AWEZNQCLSA-N 1 0 321.377 1.283 20 5 DDBDRO COC(=O)c1cccc([C@@H](C)OC(=O)C[C@@H](O)C[N+](C)(C)C)c1 ZINC001223795180 881103722 /nfs/dbraw/zinc/10/37/22/881103722.db2.gz VBKSAOAPFYIKIL-IUODEOHRSA-N 1 0 324.397 1.535 20 5 DDBDRO Cc1nc2c(c(OC(=O)C[C@@H](O)C[N+](C)(C)C)n1)CCCC2 ZINC001229996967 884267685 /nfs/dbraw/zinc/26/76/85/884267685.db2.gz GSQPWDYVMMBMEQ-GFCCVEGCSA-N 1 0 308.402 1.026 20 5 DDBDRO Nc1[nH]c2ccc(O[C@@H]3COc4nc([N+](=O)[O-])cn4C3)cc2[nH+]1 ZINC001230516847 884533930 /nfs/dbraw/zinc/53/39/30/884533930.db2.gz VAQLWRQJOSUYIR-QMMMGPOBSA-N 1 0 316.277 1.090 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc(-c2cnco2)cc1 ZINC001231049208 885163316 /nfs/dbraw/zinc/16/33/16/885163316.db2.gz WNLWORAZGUPSIN-CYBMUJFWSA-N 1 0 305.354 1.704 20 5 DDBDRO CC[N@@H+]1CCC[C@H](Oc2ncc(C(=O)OC)cc2[N+](=O)[O-])C1 ZINC001233863734 887400034 /nfs/dbraw/zinc/40/00/34/887400034.db2.gz YUTQRSQOIYHHSR-NSHDSACASA-N 1 0 309.322 1.640 20 5 DDBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc(C2CC3(C[NH2+]C3)C2)n1 ZINC001247886792 893456510 /nfs/dbraw/zinc/45/65/10/893456510.db2.gz AATSREHTANJLOY-UHFFFAOYSA-N 1 0 305.269 1.646 20 5 DDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCN(C2COC2)C1 ZINC001254537767 896494539 /nfs/dbraw/zinc/49/45/39/896494539.db2.gz HJKWYJJPANUYFR-DZGCQCFKSA-N 1 0 319.405 1.979 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H]2CCNC(=O)[C@@H]2C1 ZINC001254567615 896505457 /nfs/dbraw/zinc/50/54/57/896505457.db2.gz XSCGOVWJYXFGQZ-KWCYVHTRSA-N 1 0 303.362 1.594 20 5 DDBDRO CCNC(=O)[C@@H]1CCC[N@@H+]1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254605223 896526972 /nfs/dbraw/zinc/52/69/72/896526972.db2.gz AKDKZKQSCQPJNW-CABCVRRESA-N 1 0 303.362 1.663 20 5 DDBDRO C[N@H+](C1CN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1)[C@@H]1CCOC1 ZINC001254604613 896527892 /nfs/dbraw/zinc/52/78/92/896527892.db2.gz WWFNXFGEJQDQEA-HZPDHXFCSA-N 1 0 317.389 1.467 20 5 DDBDRO COc1cc(N2CCC(NOCC[NH3+])CC2)ccc1[N+](=O)[O-] ZINC001256084707 897278686 /nfs/dbraw/zinc/27/86/86/897278686.db2.gz GLEDWEBJMURBDD-UHFFFAOYSA-N 1 0 310.354 1.052 20 5 DDBDRO Cc1nc(NC2CC[NH+]([C@@H]3CCOC3)CC2)ncc1[N+](=O)[O-] ZINC001261658294 899687068 /nfs/dbraw/zinc/68/70/68/899687068.db2.gz BDQKXBRMDWNEBZ-GFCCVEGCSA-N 1 0 307.354 1.358 20 5 DDBDRO C[N@@H+]1CCCC[C@H]1CNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC001262653901 900285996 /nfs/dbraw/zinc/28/59/96/900285996.db2.gz SNFWAPWLJSKNBW-ZDUSSCGKSA-N 1 0 307.350 1.574 20 5 DDBDRO CC(C)(O)[C@@H]1CCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248438512 282082952 /nfs/dbraw/zinc/08/29/52/282082952.db2.gz BXARNSSQBODSOK-DOMZBBRYSA-N 1 0 324.377 1.570 20 5 DDBDRO C[NH+](C)CCCNC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000182597080 282086471 /nfs/dbraw/zinc/08/64/71/282086471.db2.gz CYBNVAUNVCGZQZ-AWEZNQCLSA-N 1 0 320.349 1.156 20 5 DDBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CC(=O)N(C)C1 ZINC000358083232 299070671 /nfs/dbraw/zinc/07/06/71/299070671.db2.gz KFWPYUCGLUJDII-JQWIXIFHSA-N 1 0 320.349 1.132 20 5 DDBDRO C[C@@H](O)C[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])[C@H](C)CO ZINC000248926101 282118494 /nfs/dbraw/zinc/11/84/94/282118494.db2.gz LQDZHFBZMBREHV-NXEZZACHSA-N 1 0 302.758 1.812 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H](C)[C@H]1CO ZINC000248964914 282121781 /nfs/dbraw/zinc/12/17/81/282121781.db2.gz ROEFFTLLCMCLJV-XHDPSFHLSA-N 1 0 321.377 1.935 20 5 DDBDRO C[NH+](C)[C@@H]1CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000263980703 282200939 /nfs/dbraw/zinc/20/09/39/282200939.db2.gz FUSAWFLBVMGARZ-SECBINFHSA-N 1 0 317.342 1.059 20 5 DDBDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)COc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000425041352 529822016 /nfs/dbraw/zinc/82/20/16/529822016.db2.gz BQBIQIRZBHCWPL-SWLSCSKDSA-N 1 0 319.361 1.526 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N(C)CC2([NH+](C)C)CCC2)n1 ZINC000286718954 219127664 /nfs/dbraw/zinc/12/76/64/219127664.db2.gz PMNVFDKCNVQNMO-UHFFFAOYSA-N 1 0 322.365 1.697 20 5 DDBDRO CN(C1CC[NH2+]CC1)S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000123081731 282337902 /nfs/dbraw/zinc/33/79/02/282337902.db2.gz NGQHRZBBLQYLRP-UHFFFAOYSA-N 1 0 317.342 1.106 20 5 DDBDRO C[NH2+]C[C@H]1CCCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000430543689 530003222 /nfs/dbraw/zinc/00/32/22/530003222.db2.gz DYLXOQHWVSEWEQ-GFCCVEGCSA-N 1 0 322.365 1.226 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](CO)C2)n1 ZINC000286752875 219146799 /nfs/dbraw/zinc/14/67/99/219146799.db2.gz YVELIWOYXVZFRK-VHSXEESVSA-N 1 0 322.287 1.284 20 5 DDBDRO C[C@H](CN1CCOCC1)[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000279723162 215092693 /nfs/dbraw/zinc/09/26/93/215092693.db2.gz MCQSLXKZMJXTSB-CQSZACIVSA-N 1 0 323.393 1.626 20 5 DDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1F)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000358395661 299142253 /nfs/dbraw/zinc/14/22/53/299142253.db2.gz PGRGLIJPBIOLBN-ZDUSSCGKSA-N 1 0 307.325 1.583 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@](C)(C[NH3+])CC(C)C ZINC000236663897 201953264 /nfs/dbraw/zinc/95/32/64/201953264.db2.gz BBRRFEIKNGHGMG-AWEZNQCLSA-N 1 0 311.386 1.370 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000272606287 210004421 /nfs/dbraw/zinc/00/44/21/210004421.db2.gz JRFRMVBCCCPRSP-UKRRQHHQSA-N 1 0 303.362 1.690 20 5 DDBDRO COc1cc(C(=O)NCC[N@H+]2CC=CCC2)ccc1[N+](=O)[O-] ZINC000279777362 215137302 /nfs/dbraw/zinc/13/73/02/215137302.db2.gz CCEBHBPSKPLDEQ-UHFFFAOYSA-N 1 0 305.334 1.595 20 5 DDBDRO COc1ccc(OCC[N@@H+]2C[C@@H](O)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000279910133 215229993 /nfs/dbraw/zinc/22/99/93/215229993.db2.gz VQQBOZAYCXDVCC-CQSZACIVSA-N 1 0 310.350 1.685 20 5 DDBDRO COCCC[N@H+](C)CCNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000152401280 186068903 /nfs/dbraw/zinc/06/89/03/186068903.db2.gz UHDJMXODBRTYPE-UHFFFAOYSA-N 1 0 309.366 1.222 20 5 DDBDRO Cc1nn(C)c(C(=O)NCCC2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000171211202 197899197 /nfs/dbraw/zinc/89/91/97/197899197.db2.gz DELOSQVWUBRYSA-UHFFFAOYSA-N 1 0 309.370 1.098 20 5 DDBDRO C[C@H]1[NH2+]CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000262843961 186312161 /nfs/dbraw/zinc/31/21/61/186312161.db2.gz YBCAWQWSRYSDHL-VXGBXAGGSA-N 1 0 306.366 1.606 20 5 DDBDRO CC[C@H]1CN(c2cc(C)c([N+](=O)[O-])cn2)CC[N@@H+]1C[C@H](C)O ZINC000266849094 186358391 /nfs/dbraw/zinc/35/83/91/186358391.db2.gz QBOPVBYYCFYYRJ-STQMWFEESA-N 1 0 308.382 1.580 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000617353071 363067185 /nfs/dbraw/zinc/06/71/85/363067185.db2.gz USZZUBHCSOQZES-LLVKDONJSA-N 1 0 307.350 1.675 20 5 DDBDRO CCCc1n[nH]c(C(=O)N2CC[C@H](C[NH+](C)C)C2)c1[N+](=O)[O-] ZINC000172353683 198084498 /nfs/dbraw/zinc/08/44/98/198084498.db2.gz TWGPPSBOYWRQDZ-SNVBAGLBSA-N 1 0 309.370 1.294 20 5 DDBDRO COc1ccc(C(=O)NC2CC[NH+](C3CC3)CC2)cc1[N+](=O)[O-] ZINC000029092030 352235222 /nfs/dbraw/zinc/23/52/22/352235222.db2.gz GUBJJTFWYPQHEW-UHFFFAOYSA-N 1 0 319.361 1.960 20 5 DDBDRO COCCC[N@H+](C)CCNC(=O)c1csc([N+](=O)[O-])c1 ZINC000172669676 198134937 /nfs/dbraw/zinc/13/49/37/198134937.db2.gz NQUIJEUHWKYDIN-UHFFFAOYSA-N 1 0 301.368 1.354 20 5 DDBDRO CC(=O)NCC1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000047771782 352511235 /nfs/dbraw/zinc/51/12/35/352511235.db2.gz MVKKYBBGSMJQSN-UHFFFAOYSA-N 1 0 321.377 1.822 20 5 DDBDRO CC[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C[C@@H]1CCOC1 ZINC000052071045 352599623 /nfs/dbraw/zinc/59/96/23/352599623.db2.gz GUIPMQLYMTZGHR-ZFWWWQNUSA-N 1 0 324.377 1.693 20 5 DDBDRO C[NH+](C)[C@@H]1CCN(C(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000491476546 234179495 /nfs/dbraw/zinc/17/94/95/234179495.db2.gz AQHJRZZYZSIZDN-RYWCDNDXSA-N 1 0 307.325 1.910 20 5 DDBDRO C[NH+](C)C1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000063735380 352921911 /nfs/dbraw/zinc/92/19/11/352921911.db2.gz XQCDZDYWYQFYGT-UHFFFAOYSA-N 1 0 307.350 1.526 20 5 DDBDRO O=C(Cc1ccccc1[N+](=O)[O-])NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000061649811 352892689 /nfs/dbraw/zinc/89/26/89/352892689.db2.gz MBRLWJCLNUGEMC-UONOGXRCSA-N 1 0 319.361 1.117 20 5 DDBDRO CNc1ccc(C(=O)N2CCNC[C@@](C)(F)C2)cc1[N+](=O)[O-] ZINC000564957590 304030185 /nfs/dbraw/zinc/03/01/85/304030185.db2.gz QQCBHMMHDFSIGW-CQSZACIVSA-N 1 0 310.329 1.410 20 5 DDBDRO CC(C)[N@H+](C)CCCNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000065866675 352966863 /nfs/dbraw/zinc/96/68/63/352966863.db2.gz RLCXDNMPTCARSP-UHFFFAOYSA-N 1 0 308.382 1.853 20 5 DDBDRO O=[N+]([O-])c1cn(C[C@H](O)C[N@@H+]2CCc3ccccc3C2)cn1 ZINC000066482908 353000619 /nfs/dbraw/zinc/00/06/19/353000619.db2.gz TZLXARHSSDNFIF-CQSZACIVSA-N 1 0 302.334 1.211 20 5 DDBDRO C[C@@H](CC[NH+](C)C)NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000067191574 353037791 /nfs/dbraw/zinc/03/77/91/353037791.db2.gz HPZHSULEIXZOKQ-JTQLQIEISA-N 1 0 323.349 1.436 20 5 DDBDRO CN(CC(=O)NCC(C)(C)[NH+](C)C)c1ccccc1[N+](=O)[O-] ZINC000079294776 353557516 /nfs/dbraw/zinc/55/75/16/353557516.db2.gz AGZCLDDWLZOXNK-UHFFFAOYSA-N 1 0 308.382 1.487 20 5 DDBDRO COC1CC[NH+](CCNC(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000079670509 353572185 /nfs/dbraw/zinc/57/21/85/353572185.db2.gz GZAWLZNAFKQKAW-UHFFFAOYSA-N 1 0 321.377 1.364 20 5 DDBDRO Cc1cc(C(=O)NCC2(O)CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000080882606 353634816 /nfs/dbraw/zinc/63/48/16/353634816.db2.gz DXZDERHNKRIBNL-UHFFFAOYSA-N 1 0 307.350 1.090 20 5 DDBDRO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083170725 353706609 /nfs/dbraw/zinc/70/66/09/353706609.db2.gz FNRXNPQHMWKNTR-ZJUUUORDSA-N 1 0 318.333 1.822 20 5 DDBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2C[C@@H](O)[C@@H](O)C2)s1 ZINC000093483658 353901846 /nfs/dbraw/zinc/90/18/46/353901846.db2.gz GLLOHFWHHSILMT-OKILXGFUSA-N 1 0 320.370 1.861 20 5 DDBDRO Cc1nn(CCC(=O)NC2CC[NH+](C)CC2)c(C)c1[N+](=O)[O-] ZINC000164081999 354247920 /nfs/dbraw/zinc/24/79/20/354247920.db2.gz HYNAIDKUVICMKT-UHFFFAOYSA-N 1 0 309.370 1.009 20 5 DDBDRO COCC[NH2+]CCNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000216314568 354312969 /nfs/dbraw/zinc/31/29/69/354312969.db2.gz ODUMORJKBXRVMQ-UHFFFAOYSA-N 1 0 301.730 1.214 20 5 DDBDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000176898717 198634725 /nfs/dbraw/zinc/63/47/25/198634725.db2.gz UBXLPMYVZFIUJO-AWEZNQCLSA-N 1 0 323.393 1.990 20 5 DDBDRO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC[C@@H]1[NH3+] ZINC000584778886 354766429 /nfs/dbraw/zinc/76/64/29/354766429.db2.gz DGUJLINMNJYMFD-MFKMUULPSA-N 1 0 314.345 1.952 20 5 DDBDRO Nc1cc(NCCC[NH+]2CCCCC2)cc(CO)c1[N+](=O)[O-] ZINC000587029689 354878400 /nfs/dbraw/zinc/87/84/00/354878400.db2.gz JCUKWMRJEUYTPV-UHFFFAOYSA-N 1 0 308.382 1.957 20 5 DDBDRO C[C@H](NS(=O)(=O)CCC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000601309847 358490648 /nfs/dbraw/zinc/49/06/48/358490648.db2.gz JFAOTZYQTMJTEG-NSHDSACASA-N 1 0 315.395 1.527 20 5 DDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000588815729 354938782 /nfs/dbraw/zinc/93/87/82/354938782.db2.gz ZWDPNSIBTXZSIH-OLZOCXBDSA-N 1 0 323.397 1.155 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@]1(C)CCO[C@@H]1C ZINC000494226097 235008931 /nfs/dbraw/zinc/00/89/31/235008931.db2.gz FOVWWFZEIGOMDJ-ABAIWWIYSA-N 1 0 307.350 1.999 20 5 DDBDRO C[NH+](C)C[C@H](CO)Nc1ccc(Br)cc1[N+](=O)[O-] ZINC000589101717 354959299 /nfs/dbraw/zinc/95/92/99/354959299.db2.gz IZZSYYVXJVNTRQ-SECBINFHSA-N 1 0 318.171 1.692 20 5 DDBDRO CCc1ccc(C(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000590044200 355042495 /nfs/dbraw/zinc/04/24/95/355042495.db2.gz IFRXHFZPJYPXOM-HIFRSBDPSA-N 1 0 303.362 1.933 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]([NH+](C)C)[C@H]2C)c1 ZINC000590566890 355115099 /nfs/dbraw/zinc/11/50/99/355115099.db2.gz RSCZECFOEAAQNN-MFKMUULPSA-N 1 0 307.350 1.768 20 5 DDBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000590589575 355122510 /nfs/dbraw/zinc/12/25/10/355122510.db2.gz PFNTTWIFGWSBMV-ZWNOBZJWSA-N 1 0 313.379 1.308 20 5 DDBDRO C[C@]1(CO)CCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000591028151 355235739 /nfs/dbraw/zinc/23/57/39/355235739.db2.gz LJORTYWOXWTGBX-OAHLLOKOSA-N 1 0 307.350 1.770 20 5 DDBDRO O=[N+]([O-])c1cnc(NC2CC[NH+]([C@H]3CCOC3)CC2)c(F)c1 ZINC000591150652 355255446 /nfs/dbraw/zinc/25/54/46/355255446.db2.gz APKWNOMVFCXPLH-NSHDSACASA-N 1 0 310.329 1.794 20 5 DDBDRO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000591446028 355313052 /nfs/dbraw/zinc/31/30/52/355313052.db2.gz LBAGBGAYPYJQMN-UKRRQHHQSA-N 1 0 306.366 1.713 20 5 DDBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000591447819 355313877 /nfs/dbraw/zinc/31/38/77/355313877.db2.gz AGGGTGJPAVALPU-DYEKYZERSA-N 1 0 318.377 1.606 20 5 DDBDRO CC(C)[NH2+][C@@H]1CCCN(c2c(C(N)=O)cccc2[N+](=O)[O-])C1 ZINC000591458880 355316449 /nfs/dbraw/zinc/31/64/49/355316449.db2.gz CVXOIOXLBVKFKE-LLVKDONJSA-N 1 0 306.366 1.661 20 5 DDBDRO CN(CCC[NH3+])C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000591679068 355360816 /nfs/dbraw/zinc/36/08/16/355360816.db2.gz OWXBPCDIWLKFHF-UHFFFAOYSA-N 1 0 303.322 1.201 20 5 DDBDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000591682030 355360861 /nfs/dbraw/zinc/36/08/61/355360861.db2.gz MXXCHPXCOOSIIL-DTWKUNHWSA-N 1 0 307.306 1.133 20 5 DDBDRO O=C(N[C@@H]1CC12CC[NH2+]CC2)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000591686024 355362488 /nfs/dbraw/zinc/36/24/88/355362488.db2.gz MCEOMPUPTGFGOR-CYBMUJFWSA-N 1 0 319.317 1.195 20 5 DDBDRO CCCc1n[nH]c(C(=O)N2CC[C@H]([NH3+])[C@@H](CC)C2)c1[N+](=O)[O-] ZINC000592332239 355561290 /nfs/dbraw/zinc/56/12/90/355561290.db2.gz IBHYNZFRMRFOPC-UWVGGRQHSA-N 1 0 309.370 1.470 20 5 DDBDRO CCc1ccc(C(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000592309480 355556903 /nfs/dbraw/zinc/55/69/03/355556903.db2.gz RHINGPYLMZBIHH-YGRLFVJLSA-N 1 0 307.350 1.345 20 5 DDBDRO CC[C@@H]1CN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC[C@@H]1[NH3+] ZINC000592489214 355598407 /nfs/dbraw/zinc/59/84/07/355598407.db2.gz UEGFPVNQWWCYLF-DOMZBBRYSA-N 1 0 320.393 1.617 20 5 DDBDRO COc1ncncc1C[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000592363567 355567338 /nfs/dbraw/zinc/56/73/38/355567338.db2.gz SQVXXULCPISMGW-UHFFFAOYSA-N 1 0 304.306 1.562 20 5 DDBDRO CC[C@]1(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)CCC[NH2+]1 ZINC000592532918 355618185 /nfs/dbraw/zinc/61/81/85/355618185.db2.gz SWHQIKKQAPXEKL-OAHLLOKOSA-N 1 0 307.350 1.622 20 5 DDBDRO Cc1cc(N2CCN(CC[NH+](C)C)C(=O)C2)ccc1[N+](=O)[O-] ZINC000593486377 355899995 /nfs/dbraw/zinc/89/99/95/355899995.db2.gz USINIEQJZQRQBJ-UHFFFAOYSA-N 1 0 306.366 1.113 20 5 DDBDRO Cc1c(NC(=O)C(=O)NCCC2(C[NH3+])CC2)cccc1[N+](=O)[O-] ZINC000593770609 355991541 /nfs/dbraw/zinc/99/15/41/355991541.db2.gz LJKINBPKQBYGGS-UHFFFAOYSA-N 1 0 320.349 1.087 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000593679092 355964743 /nfs/dbraw/zinc/96/47/43/355964743.db2.gz AMCSNTJGUZKNNE-OAHLLOKOSA-N 1 0 321.377 1.244 20 5 DDBDRO O=C1[C@@H](N2C[C@H]3CC[C@@H](C2)[NH2+]3)CCN1c1cccc([N+](=O)[O-])c1 ZINC000601329673 358500000 /nfs/dbraw/zinc/50/00/00/358500000.db2.gz LWOHHHVCDPUTNI-ZOWXZIJZSA-N 1 0 316.361 1.136 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N(C)CC[NH+]2CCCCC2)n1 ZINC000593884172 356041152 /nfs/dbraw/zinc/04/11/52/356041152.db2.gz UMRCRLWJTCTLGJ-UHFFFAOYSA-N 1 0 309.370 1.369 20 5 DDBDRO O=C(NCCNc1ccccc1[N+](=O)[O-])[C@H]1CCC[NH2+]CC1 ZINC000593902437 356049233 /nfs/dbraw/zinc/04/92/33/356049233.db2.gz TUFJVWGNCFMBJB-LBPRGKRZSA-N 1 0 306.366 1.513 20 5 DDBDRO C[C@@H]1CCCN(C(=O)CNc2ccccc2[N+](=O)[O-])[C@H]1CC[NH3+] ZINC000593916236 356057866 /nfs/dbraw/zinc/05/78/66/356057866.db2.gz NRZIVYMZUXXXPD-OCCSQVGLSA-N 1 0 320.393 1.983 20 5 DDBDRO C[C@@H]1CCCN(C(=O)COc2cccc([N+](=O)[O-])c2)[C@H]1CC[NH3+] ZINC000593917894 356059714 /nfs/dbraw/zinc/05/97/14/356059714.db2.gz ZQCIDJLHBQZFNW-DOMZBBRYSA-N 1 0 321.377 1.950 20 5 DDBDRO Cc1nn(C)c(C(=O)N2CCC[C@H](C)[C@H]2CC[NH3+])c1[N+](=O)[O-] ZINC000593917344 356059755 /nfs/dbraw/zinc/05/97/55/356059755.db2.gz UQWYRJIHAHGWFY-GXSJLCMTSA-N 1 0 309.370 1.226 20 5 DDBDRO O=C(NCCC1CC[NH2+]CC1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000593919060 356060498 /nfs/dbraw/zinc/06/04/98/356060498.db2.gz NCHNBJQOKZPCRY-UHFFFAOYSA-N 1 0 317.349 1.591 20 5 DDBDRO COc1cccc(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000594102651 356114338 /nfs/dbraw/zinc/11/43/38/356114338.db2.gz OMWZELYXZUUPBE-PHIMTYICSA-N 1 0 307.350 1.673 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCCCC[C@H]2CO)c1 ZINC000594014455 356087179 /nfs/dbraw/zinc/08/71/79/356087179.db2.gz DSXLYSZZRUDDDH-LSDHHAIUSA-N 1 0 324.377 1.571 20 5 DDBDRO C[C@@H]1CCC[C@@H](C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)O1 ZINC000594733046 356300842 /nfs/dbraw/zinc/30/08/42/356300842.db2.gz PRGWMIFCSHNSBT-XPKDYRNWSA-N 1 0 324.377 1.882 20 5 DDBDRO C[C@@]1(CC[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1(F)F ZINC000594733561 356301057 /nfs/dbraw/zinc/30/10/57/356301057.db2.gz YGXNAQLYESAEGO-WDEREUQCSA-N 1 0 304.297 1.177 20 5 DDBDRO Cn1cc(C[NH2+]C/C=C\CO)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000594976283 356366970 /nfs/dbraw/zinc/36/69/70/356366970.db2.gz YKDBAURWXQQEMZ-IHWYPQMZSA-N 1 0 302.334 1.633 20 5 DDBDRO COCCN(C)CC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595042033 356376137 /nfs/dbraw/zinc/37/61/37/356376137.db2.gz SKKCGTXMLCFPNS-LBPRGKRZSA-N 1 0 311.382 1.832 20 5 DDBDRO Cc1cc(S(=O)(=O)N(C)CC(C)(C)[NH3+])c(C)cc1[N+](=O)[O-] ZINC000595112399 356383759 /nfs/dbraw/zinc/38/37/59/356383759.db2.gz DPBMALJAIBSRGB-UHFFFAOYSA-N 1 0 315.395 1.569 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000595226698 356411626 /nfs/dbraw/zinc/41/16/26/356411626.db2.gz YZJNHVGGLIGCQM-JSGCOSHPSA-N 1 0 320.393 1.928 20 5 DDBDRO Cc1noc(CN2CCC([N@H+](C)CCCO)CC2)c1[N+](=O)[O-] ZINC000595317609 356447623 /nfs/dbraw/zinc/44/76/23/356447623.db2.gz BGCVQTHCWOHZBT-UHFFFAOYSA-N 1 0 312.370 1.170 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)C[C@@H](C)C(=O)NC ZINC000081539390 192286146 /nfs/dbraw/zinc/28/61/46/192286146.db2.gz AHEBHBMDOCVIHC-LLVKDONJSA-N 1 0 309.366 1.807 20 5 DDBDRO CCCc1n[nH]c(C(=O)N(C)CC[C@H]([NH3+])C(C)C)c1[N+](=O)[O-] ZINC000236858163 202040629 /nfs/dbraw/zinc/04/06/29/202040629.db2.gz RNEAGYFOJUPRQK-JTQLQIEISA-N 1 0 311.386 1.716 20 5 DDBDRO CCOc1cc(C(=O)N[C@H]2CCC[NH2+]C2)c([N+](=O)[O-])cc1OC ZINC000236896582 202058019 /nfs/dbraw/zinc/05/80/19/202058019.db2.gz RJFRPGCLSMTBOJ-JTQLQIEISA-N 1 0 323.349 1.484 20 5 DDBDRO CCc1n[nH]c(C(=O)N[C@@H](C)C2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000618214250 363516408 /nfs/dbraw/zinc/51/64/08/363516408.db2.gz YKVPPNLFMUHCCR-VIFPVBQESA-N 1 0 309.370 1.340 20 5 DDBDRO C[C@@H](O)[C@H]1CCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000595767185 356644025 /nfs/dbraw/zinc/64/40/25/356644025.db2.gz WPDQIRKVYFZDSF-DGCLKSJQSA-N 1 0 307.350 1.769 20 5 DDBDRO CC[C@H](C)[C@H]([NH3+])C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000237014673 202122752 /nfs/dbraw/zinc/12/27/52/202122752.db2.gz HKXHRHCSKSTUEC-MJVIPROJSA-N 1 0 321.381 1.376 20 5 DDBDRO C[NH2+]C[C@@H](C)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000595983073 356735096 /nfs/dbraw/zinc/73/50/96/356735096.db2.gz NINGDTZKFUOFER-RKDXNWHRSA-N 1 0 315.757 1.740 20 5 DDBDRO C[NH2+]C[C@@H](C)NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000595984607 356736016 /nfs/dbraw/zinc/73/60/16/356736016.db2.gz WUWUICOGAHLTCQ-SNVBAGLBSA-N 1 0 303.322 1.118 20 5 DDBDRO COc1cc(C(=O)N2CC3CC2(C[NH3+])C3)cc([N+](=O)[O-])c1C ZINC000595942065 356715529 /nfs/dbraw/zinc/71/55/29/356715529.db2.gz GBKSXOKKMRFLRQ-UHFFFAOYSA-N 1 0 305.334 1.475 20 5 DDBDRO C[NH+](C)CCCOC1CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596150319 356791558 /nfs/dbraw/zinc/79/15/58/356791558.db2.gz JAFLLTCETMDEAU-UHFFFAOYSA-N 1 0 324.381 1.633 20 5 DDBDRO Nc1ccc(N2CCC[C@H](C[NH+]3CCOCC3)C2)nc1[N+](=O)[O-] ZINC000596223054 356821771 /nfs/dbraw/zinc/82/17/71/356821771.db2.gz YYNFHRZGMVSJGD-GFCCVEGCSA-N 1 0 321.381 1.121 20 5 DDBDRO CC[C@@H](C[NH+]1CCCC1)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596133149 356785714 /nfs/dbraw/zinc/78/57/14/356785714.db2.gz VBKCJSOFQAUEJS-NSHDSACASA-N 1 0 306.366 1.980 20 5 DDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000596539249 356911097 /nfs/dbraw/zinc/91/10/97/356911097.db2.gz NPVSFEOAZCDAIQ-ZDUSSCGKSA-N 1 0 323.397 1.155 20 5 DDBDRO C[C@]1(NC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[NH2+]C1 ZINC000597432135 357174231 /nfs/dbraw/zinc/17/42/31/357174231.db2.gz JBAIOUZKHLSDSE-AWEZNQCLSA-N 1 0 318.337 1.022 20 5 DDBDRO COC(=O)c1cnc(N2CC[C@@H](C[NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000276864644 213141032 /nfs/dbraw/zinc/14/10/32/213141032.db2.gz ZKZMCVLLFPMRFX-JTQLQIEISA-N 1 0 308.338 1.164 20 5 DDBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000597700963 357291995 /nfs/dbraw/zinc/29/19/95/357291995.db2.gz PMFMLISIKZXKPU-MWLCHTKSSA-N 1 0 321.333 1.488 20 5 DDBDRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000597857375 357360239 /nfs/dbraw/zinc/36/02/39/357360239.db2.gz FRVXFSMESXVEAB-JTQLQIEISA-N 1 0 306.366 1.780 20 5 DDBDRO CC[C@@H]1CN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000598531671 357622784 /nfs/dbraw/zinc/62/27/84/357622784.db2.gz OHLLJWVNNVPJHJ-QWHCGFSZSA-N 1 0 320.393 1.630 20 5 DDBDRO Cc1c(CC(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)cccc1[N+](=O)[O-] ZINC000598667769 357678092 /nfs/dbraw/zinc/67/80/92/357678092.db2.gz KCMZGHMDJDTUAA-XJKSGUPXSA-N 1 0 303.362 1.786 20 5 DDBDRO COC(=O)c1ccnc(N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000598600357 357648758 /nfs/dbraw/zinc/64/87/58/357648758.db2.gz AVUSQFCIORDKOK-UWVGGRQHSA-N 1 0 320.349 1.814 20 5 DDBDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000598773207 357723801 /nfs/dbraw/zinc/72/38/01/357723801.db2.gz MBYLAPWOVJJFEG-LLVKDONJSA-N 1 0 322.365 1.546 20 5 DDBDRO COc1cc(C[NH2+][C@H]2CO[C@@H](C3CC3)C2)c([N+](=O)[O-])cc1O ZINC000599007659 357791260 /nfs/dbraw/zinc/79/12/60/357791260.db2.gz SCOBXTQSASOBMX-BXUZGUMPSA-N 1 0 308.334 1.966 20 5 DDBDRO Cn1cccc1[C@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000179222564 199001289 /nfs/dbraw/zinc/00/12/89/199001289.db2.gz PFXFMMLYMMWZSJ-OAHLLOKOSA-N 1 0 316.361 1.932 20 5 DDBDRO O=[N+]([O-])c1ccc(NCC[N@H+]2CC[C@@H](O)C2)c(OC(F)F)c1 ZINC000599176012 357840042 /nfs/dbraw/zinc/84/00/42/357840042.db2.gz ODFGSQDGDARXMJ-SNVBAGLBSA-N 1 0 317.292 1.675 20 5 DDBDRO O=[N+]([O-])c1ccc(C[N@@H+](C[C@H](O)Cn2cccn2)C2CC2)cc1 ZINC000179520990 199049478 /nfs/dbraw/zinc/04/94/78/199049478.db2.gz XRDTZRGJCRKCEC-INIZCTEOSA-N 1 0 316.361 1.817 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC[C@H]3CC[C@@H](C2)S3)c1 ZINC000599553488 357970674 /nfs/dbraw/zinc/97/06/74/357970674.db2.gz WSYAFCVTZUFRKI-XQQFMLRXSA-N 1 0 312.395 1.122 20 5 DDBDRO Cc1c(NC(=O)NCC2([NH3+])CCOCC2)cccc1[N+](=O)[O-] ZINC000599593930 357986105 /nfs/dbraw/zinc/98/61/05/357986105.db2.gz HFDDMADXFJUISO-UHFFFAOYSA-N 1 0 308.338 1.533 20 5 DDBDRO COc1ccc(OCC[N@@H+]2CC[C@@H]3CC[C@@H](O)[C@@H]32)c([N+](=O)[O-])c1 ZINC000599682295 358023236 /nfs/dbraw/zinc/02/32/36/358023236.db2.gz ZXRQFUGNKMHYCA-SGIREYDYSA-N 1 0 322.361 1.827 20 5 DDBDRO C[NH2+]CCOCCN(C)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000599920836 358081344 /nfs/dbraw/zinc/08/13/44/358081344.db2.gz OEWQFGMTMNLSBO-UHFFFAOYSA-N 1 0 324.381 1.015 20 5 DDBDRO C[N@@H+]1CCCC[C@@H](CNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000600315920 358195075 /nfs/dbraw/zinc/19/50/75/358195075.db2.gz XGGZBIUZOQUZIY-LBPRGKRZSA-N 1 0 323.397 1.375 20 5 DDBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@@H]1COCCN1)C1CC1 ZINC000600710809 358290971 /nfs/dbraw/zinc/29/09/71/358290971.db2.gz POEVIWSHDQJSCQ-CABCVRRESA-N 1 0 305.378 1.494 20 5 DDBDRO Cn1ccnc1[C@@H](N[C@@H]1CC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000600714182 358291845 /nfs/dbraw/zinc/29/18/45/358291845.db2.gz QGOWJRUUYICXFR-OCCSQVGLSA-N 1 0 301.350 1.369 20 5 DDBDRO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000601106807 358404811 /nfs/dbraw/zinc/40/48/11/358404811.db2.gz XJKCFOBKNLTYQJ-BQBZGAKWSA-N 1 0 305.260 1.003 20 5 DDBDRO CN(C)CC[N@H+](C)CCCN(C)c1ncc(F)cc1[N+](=O)[O-] ZINC000601165492 358428918 /nfs/dbraw/zinc/42/89/18/358428918.db2.gz BIDRGNYCYLOXPT-UHFFFAOYSA-N 1 0 313.377 1.449 20 5 DDBDRO CC(C)[NH2+]C1(CO)CCN(c2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000601170459 358431625 /nfs/dbraw/zinc/43/16/25/358431625.db2.gz ARYRLJPURPKSFT-UHFFFAOYSA-N 1 0 312.345 1.458 20 5 DDBDRO COc1ccc(OCC[N@@H+]2C[C@@H]3COC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000601971556 358759548 /nfs/dbraw/zinc/75/95/48/358759548.db2.gz DNVOTYKNQJTQOZ-TXEJJXNPSA-N 1 0 308.334 1.560 20 5 DDBDRO CO[C@@H](C[NH2+]CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000602569125 359048428 /nfs/dbraw/zinc/04/84/28/359048428.db2.gz NPJCOKZQRMKQFE-OAHLLOKOSA-N 1 0 304.350 1.639 20 5 DDBDRO CCOC(=O)N1CC[C@@H]([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000185791393 199887575 /nfs/dbraw/zinc/88/75/75/199887575.db2.gz MWWXPQJDTBGFAM-GFCCVEGCSA-N 1 0 323.349 1.924 20 5 DDBDRO C[C@H](C[C@H](C)O)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602604553 359067830 /nfs/dbraw/zinc/06/78/30/359067830.db2.gz YURQEXQSQSUTAT-NEPJUHHUSA-N 1 0 308.382 1.708 20 5 DDBDRO CNc1ccc(C(=O)N2CCC[C@H]3C[NH2+]CC[C@H]32)cc1[N+](=O)[O-] ZINC000602605030 359068853 /nfs/dbraw/zinc/06/88/53/359068853.db2.gz RLLDZYAPTXSBPY-GXTWGEPZSA-N 1 0 318.377 1.851 20 5 DDBDRO C[C@@H](O)CCC[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602641008 359092695 /nfs/dbraw/zinc/09/26/95/359092695.db2.gz UGHWEPKEEZRUSZ-GFCCVEGCSA-N 1 0 308.382 1.709 20 5 DDBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C1(S(C)(=O)=O)CC1 ZINC000602661709 359108047 /nfs/dbraw/zinc/10/80/47/359108047.db2.gz KJAOXAQTSDHLJZ-LLVKDONJSA-N 1 0 312.391 1.693 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CCN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000602782387 359188142 /nfs/dbraw/zinc/18/81/42/359188142.db2.gz MPDYNIAFAFLNIN-HNNXBMFYSA-N 1 0 321.425 1.908 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)CCC(=O)OC(C)(C)C ZINC000602787050 359191095 /nfs/dbraw/zinc/19/10/95/359191095.db2.gz GLFNBRVMPWSDRT-UHFFFAOYSA-N 1 0 312.370 1.763 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCC3(CO)CC3)CC2)cn1 ZINC000602684684 359124994 /nfs/dbraw/zinc/12/49/94/359124994.db2.gz QSUGDDGJBKQRDN-UHFFFAOYSA-N 1 0 320.393 1.711 20 5 DDBDRO C[C@H](CN(C)Cc1cn(C)nc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000602687981 359126137 /nfs/dbraw/zinc/12/61/37/359126137.db2.gz SXULIVPRXYKUJM-SNVBAGLBSA-N 1 0 312.370 1.738 20 5 DDBDRO O=C1C[C@H](C[NH2+]CCc2ccc([N+](=O)[O-])cc2)CN1C1CC1 ZINC000602713295 359143000 /nfs/dbraw/zinc/14/30/00/359143000.db2.gz UCZUEMQQTXWWHX-CYBMUJFWSA-N 1 0 303.362 1.738 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@]1(CO)CCc2ccccc21 ZINC000602800190 359200221 /nfs/dbraw/zinc/20/02/21/359200221.db2.gz WNJCBAAKODETNA-MRXNPFEDSA-N 1 0 316.361 1.523 20 5 DDBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@H](O)C[C@](C)(O)C1CC1 ZINC000602831706 359224068 /nfs/dbraw/zinc/22/40/68/359224068.db2.gz PWHXIDNHNMMMKF-WBVHZDCISA-N 1 0 322.405 1.981 20 5 DDBDRO COC1CC[NH+](CCNC(=O)c2c(C)cccc2[N+](=O)[O-])CC1 ZINC000618463804 363639840 /nfs/dbraw/zinc/63/98/40/363639840.db2.gz HMCVBNSBQNGQKS-UHFFFAOYSA-N 1 0 321.377 1.744 20 5 DDBDRO COCC[NH2+]CCc1cn(Cc2ccccc2[N+](=O)[O-])nn1 ZINC000603186395 359465769 /nfs/dbraw/zinc/46/57/69/359465769.db2.gz JBPFSIRWMOFBCY-UHFFFAOYSA-N 1 0 305.338 1.013 20 5 DDBDRO COc1cc(Cn2cc(C[C@H]3CC[NH2+]C3)nn2)ccc1[N+](=O)[O-] ZINC000603242547 359508909 /nfs/dbraw/zinc/50/89/09/359508909.db2.gz BTQAZUWRKAXXRD-LLVKDONJSA-N 1 0 317.349 1.395 20 5 DDBDRO O=[N+]([O-])c1cc(F)c(Cn2cc([C@@H]3CCC[NH2+]C3)nn2)c(F)c1 ZINC000603247571 359513378 /nfs/dbraw/zinc/51/33/78/359513378.db2.gz MXPVGDSIDFXJBM-SECBINFHSA-N 1 0 323.303 1.980 20 5 DDBDRO Cc1nn(CCC(=O)NC2(C[NH+](C)C)CCC2)c(C)c1[N+](=O)[O-] ZINC000281027310 216031940 /nfs/dbraw/zinc/03/19/40/216031940.db2.gz HMQVJGZMKOUDFH-UHFFFAOYSA-N 1 0 323.397 1.399 20 5 DDBDRO C[C@H]1CN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)[C@@H](C)C[NH2+]1 ZINC000237580187 202292181 /nfs/dbraw/zinc/29/21/81/202292181.db2.gz GJQPYLVMNOGMGN-STQMWFEESA-N 1 0 320.393 1.996 20 5 DDBDRO C[C@@H]1CN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)[C@H](C)C[NH2+]1 ZINC000237663638 202321472 /nfs/dbraw/zinc/32/14/72/202321472.db2.gz YYASXDMHZOJPSF-GHMZBOCLSA-N 1 0 318.377 1.992 20 5 DDBDRO C[C@@H]1CN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CC[NH2+]1 ZINC000188387528 200238121 /nfs/dbraw/zinc/23/81/21/200238121.db2.gz AQZYSLZLWZFZDP-LLVKDONJSA-N 1 0 315.333 1.214 20 5 DDBDRO [NH3+]C1CCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC1 ZINC000237850395 202370771 /nfs/dbraw/zinc/37/07/71/202370771.db2.gz QCFUYUPOFVHNGV-UHFFFAOYSA-N 1 0 315.333 1.344 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)CCCC[NH+](C)C ZINC000610111800 360383175 /nfs/dbraw/zinc/38/31/75/360383175.db2.gz FTZJMUPZRSYSJF-UHFFFAOYSA-N 1 0 311.386 1.290 20 5 DDBDRO CC(C)(CO)[NH+]1CCN(Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000610481221 360446794 /nfs/dbraw/zinc/44/67/94/360446794.db2.gz RJTSPXCKMDCXCI-UHFFFAOYSA-N 1 0 311.357 1.622 20 5 DDBDRO CC[N@@H+]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000611092571 360621430 /nfs/dbraw/zinc/62/14/30/360621430.db2.gz ZXWZEJLEPRSPTL-CYBMUJFWSA-N 1 0 320.393 1.949 20 5 DDBDRO C[C@@H](NC(=O)c1c(N)cccc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000611528306 360749269 /nfs/dbraw/zinc/74/92/69/360749269.db2.gz FGNZWARCSCERPP-SNVBAGLBSA-N 1 0 306.366 1.637 20 5 DDBDRO CCn1ncnc1C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000359072511 299320700 /nfs/dbraw/zinc/32/07/00/299320700.db2.gz SQFDEHBZBVMEBY-RYUDHWBXSA-N 1 0 319.369 1.676 20 5 DDBDRO [NH3+][C@H]1CC[C@@H](C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000172818982 283639585 /nfs/dbraw/zinc/63/95/85/283639585.db2.gz DGAKMJVBTNBYPP-OLZOCXBDSA-N 1 0 318.377 1.371 20 5 DDBDRO CC[NH2+]CCNS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000193256338 201014282 /nfs/dbraw/zinc/01/42/82/201014282.db2.gz OOKTVNNXUUXRHS-UHFFFAOYSA-N 1 0 321.786 1.444 20 5 DDBDRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000618923312 363802354 /nfs/dbraw/zinc/80/23/54/363802354.db2.gz DVHVKMDSEWHSOP-INIZCTEOSA-N 1 0 321.377 1.052 20 5 DDBDRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000618923075 363802799 /nfs/dbraw/zinc/80/27/99/363802799.db2.gz CMRLZEBBKDLZMJ-ZDUSSCGKSA-N 1 0 313.379 1.185 20 5 DDBDRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000619253604 363946781 /nfs/dbraw/zinc/94/67/81/363946781.db2.gz AVHBNQLVOOGYLJ-INIZCTEOSA-N 1 0 321.377 1.052 20 5 DDBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](n3cc(CO)nn3)C2)cc1 ZINC000292916557 223308084 /nfs/dbraw/zinc/30/80/84/223308084.db2.gz HXIFUZHPBRIBDE-HNNXBMFYSA-N 1 0 317.349 1.516 20 5 DDBDRO O=C(COC1CC[NH2+]CC1)NCCc1ccccc1[N+](=O)[O-] ZINC000566180629 304124967 /nfs/dbraw/zinc/12/49/67/304124967.db2.gz JFAJBKABRHMNFM-UHFFFAOYSA-N 1 0 307.350 1.022 20 5 DDBDRO C[NH2+][C@H](C)CNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000261728701 203103222 /nfs/dbraw/zinc/10/32/22/203103222.db2.gz LIXCCUPRIWARDL-SSDOTTSWSA-N 1 0 316.155 1.695 20 5 DDBDRO O=C(NC[C@H]1CCC[NH2+]1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000262202131 203228961 /nfs/dbraw/zinc/22/89/61/203228961.db2.gz NEKHHDKEKNFPGW-LLVKDONJSA-N 1 0 315.333 1.262 20 5 DDBDRO COc1cc(C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000262487891 203306599 /nfs/dbraw/zinc/30/65/99/203306599.db2.gz KPQUQHJQWQUMRY-NEPJUHHUSA-N 1 0 305.334 1.427 20 5 DDBDRO C[NH2+]C[C@@H]1CCCN(C(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000262516449 203316620 /nfs/dbraw/zinc/31/66/20/203316620.db2.gz SHRHQLJKNLDSGX-ZDUSSCGKSA-N 1 0 321.377 1.822 20 5 DDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000264641189 204047505 /nfs/dbraw/zinc/04/75/05/204047505.db2.gz OEVBRJKQZKZTRV-CYBMUJFWSA-N 1 0 303.362 1.738 20 5 DDBDRO CN1CC[N@H+](C)C[C@@H]1CNc1ccc2ncccc2c1[N+](=O)[O-] ZINC000264796175 204163380 /nfs/dbraw/zinc/16/33/80/204163380.db2.gz TZCOXTXMGVJDQQ-LBPRGKRZSA-N 1 0 315.377 1.801 20 5 DDBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cccc([N+](=O)[O-])c1N ZINC000288249810 220042768 /nfs/dbraw/zinc/04/27/68/220042768.db2.gz GASRUOKISFDXLR-VXGBXAGGSA-N 1 0 318.377 1.876 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(NC[C@@H](C)N2CC[NH+](C)CC2)c1 ZINC000266177581 205162608 /nfs/dbraw/zinc/16/26/08/205162608.db2.gz AEJJDPWZVLAZMB-GFCCVEGCSA-N 1 0 308.382 1.651 20 5 DDBDRO CN(C(=O)C[NH2+][C@H]1CCC[C@]1(C)CO)c1ccc([N+](=O)[O-])cc1 ZINC000351520805 284359490 /nfs/dbraw/zinc/35/94/90/284359490.db2.gz YLIBFNZHBSDXDG-GOEBONIOSA-N 1 0 321.377 1.698 20 5 DDBDRO Cc1nn(C)c(C(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000288382084 220122262 /nfs/dbraw/zinc/12/22/62/220122262.db2.gz LUXDJURGMBVELM-ZYHUDNBSSA-N 1 0 321.381 1.336 20 5 DDBDRO C[N@@H+](Cc1cccc(Cl)c1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266389348 205312558 /nfs/dbraw/zinc/31/25/58/205312558.db2.gz BXBVAQDGNSRAFR-CQSZACIVSA-N 1 0 324.768 1.938 20 5 DDBDRO C[N@H+](CCc1ccccc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266503630 205392665 /nfs/dbraw/zinc/39/26/65/205392665.db2.gz XIGAYAMFTLLMKR-HNNXBMFYSA-N 1 0 304.350 1.327 20 5 DDBDRO Cc1n[nH]c(C(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000288473201 220166203 /nfs/dbraw/zinc/16/62/03/220166203.db2.gz QNIACTBUTYEIDS-MWLCHTKSSA-N 1 0 307.354 1.325 20 5 DDBDRO CCn1c(CC[NH3+])nnc1Sc1ncc(C)cc1[N+](=O)[O-] ZINC000267387663 206028876 /nfs/dbraw/zinc/02/88/76/206028876.db2.gz MXFICFXZYNJASD-UHFFFAOYSA-N 1 0 308.367 1.562 20 5 DDBDRO CN(CC(=O)NCCC[NH+]1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000173118685 248328664 /nfs/dbraw/zinc/32/86/64/248328664.db2.gz LXCVCYXZXAQNJA-UHFFFAOYSA-N 1 0 320.393 1.633 20 5 DDBDRO C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CC[NH2+]1 ZINC000579590075 422796373 /nfs/dbraw/zinc/79/63/73/422796373.db2.gz GVHQTXZDTGWVKK-VHSXEESVSA-N 1 0 321.333 1.236 20 5 DDBDRO C[NH+](C)[C@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)c1cccs1 ZINC000285111836 218295864 /nfs/dbraw/zinc/29/58/64/218295864.db2.gz UVJLVJJEJYJOIU-SECBINFHSA-N 1 0 309.351 1.412 20 5 DDBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000567468369 304221157 /nfs/dbraw/zinc/22/11/57/304221157.db2.gz MCLQAPZRDVWIMM-AWEZNQCLSA-N 1 0 319.361 1.480 20 5 DDBDRO C[C@H]1CCC[C@@](CNC(=O)c2cc([N+](=O)[O-])n[nH]2)([NH+](C)C)C1 ZINC000285182687 218323202 /nfs/dbraw/zinc/32/32/02/218323202.db2.gz STZCXAKMFNZYEJ-IINYFYTJSA-N 1 0 309.370 1.558 20 5 DDBDRO CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000056197227 184007134 /nfs/dbraw/zinc/00/71/34/184007134.db2.gz JPLGOUNJJVOJPT-NXEZZACHSA-N 1 0 308.338 1.480 20 5 DDBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[N@H+](C)C1CC1 ZINC000057711995 184049015 /nfs/dbraw/zinc/04/90/15/184049015.db2.gz JNVXCUSLWFWLCT-VIFPVBQESA-N 1 0 322.321 1.716 20 5 DDBDRO O=[N+]([O-])c1cc(C[NH2+]C2(CO)CCCC2)c2c(c1)COCO2 ZINC000177591765 306688559 /nfs/dbraw/zinc/68/85/59/306688559.db2.gz FUBWPLTZZFFKJA-UHFFFAOYSA-N 1 0 308.334 1.856 20 5 DDBDRO C[NH+]1CCC(CCNC(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000120223037 195121933 /nfs/dbraw/zinc/12/19/33/195121933.db2.gz CXGIHBYQVORILO-UHFFFAOYSA-N 1 0 305.378 1.985 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000430965994 533138618 /nfs/dbraw/zinc/13/86/18/533138618.db2.gz NGYLWXRNNMJBQK-GHMZBOCLSA-N 1 0 322.365 1.224 20 5 DDBDRO C[N@@H+]([C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)[C@@H]1CCC[C@H]1O ZINC000352668260 285211245 /nfs/dbraw/zinc/21/12/45/285211245.db2.gz QQJFICOFDACSCV-RBSFLKMASA-N 1 0 319.361 1.545 20 5 DDBDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1c1ncc([N+](=O)[O-])cc1F ZINC000413256991 224162980 /nfs/dbraw/zinc/16/29/80/224162980.db2.gz AAMDYPAXLPYZLH-NSHDSACASA-N 1 0 324.356 1.818 20 5 DDBDRO C[C@@H]1[C@H](N2CCOCC2)CC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000289669488 221142944 /nfs/dbraw/zinc/14/29/44/221142944.db2.gz FTRTXXZOZSHIKF-RHSMWYFYSA-N 1 0 319.405 1.932 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[NH2+][C@@H](C)[C@H]1C ZINC000417186416 533221430 /nfs/dbraw/zinc/22/14/30/533221430.db2.gz SXMWDSSIJROIAW-WDEREUQCSA-N 1 0 322.365 1.495 20 5 DDBDRO C[C@@H]1CSC[C@H]1[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000352813286 285317609 /nfs/dbraw/zinc/31/76/09/285317609.db2.gz AVCUTAIXRPCQSW-IJLUTSLNSA-N 1 0 312.391 1.676 20 5 DDBDRO O=C(COc1cccc([N+](=O)[O-])c1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000290041475 221396648 /nfs/dbraw/zinc/39/66/48/221396648.db2.gz GOEPMRXGUQVZDG-VXGBXAGGSA-N 1 0 305.334 1.042 20 5 DDBDRO COc1ccc(C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000425048002 533301814 /nfs/dbraw/zinc/30/18/14/533301814.db2.gz NKTLCUHLAQSAKP-GXTWGEPZSA-N 1 0 319.361 1.770 20 5 DDBDRO COc1cc(C(=O)N(C)CC(C)(C)C[NH3+])cc([N+](=O)[O-])c1C ZINC000422889859 533509881 /nfs/dbraw/zinc/50/98/81/533509881.db2.gz HAXADLPBMVYNTP-UHFFFAOYSA-N 1 0 309.366 1.969 20 5 DDBDRO C[C@@H]1C[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC[N@@H+]1C ZINC000319016652 533635507 /nfs/dbraw/zinc/63/55/07/533635507.db2.gz CPKLVXMJPCGWLS-SCZZXKLOSA-N 1 0 310.329 1.529 20 5 DDBDRO Cc1ccc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c(C)c1 ZINC000568468684 304294285 /nfs/dbraw/zinc/29/42/85/304294285.db2.gz PZANMHDSSFEPEX-HNNXBMFYSA-N 1 0 304.350 1.559 20 5 DDBDRO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000353177809 285574010 /nfs/dbraw/zinc/57/40/10/285574010.db2.gz IKZFHIRUGWATOH-STQMWFEESA-N 1 0 307.350 1.608 20 5 DDBDRO C[C@@H]1C[NH2+][C@@H](C)CN1c1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000568858484 304316330 /nfs/dbraw/zinc/31/63/30/304316330.db2.gz DJLTYQUGROUXJA-DTWKUNHWSA-N 1 0 303.322 1.430 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360573044 299694265 /nfs/dbraw/zinc/69/42/65/299694265.db2.gz ZFJLBRFTZQNYIO-MRXNPFEDSA-N 1 0 318.377 1.527 20 5 DDBDRO O=C(CCC1CC[NH2+]CC1)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000569217218 304342258 /nfs/dbraw/zinc/34/22/58/304342258.db2.gz AHUCTIGAYNIMSF-UHFFFAOYSA-N 1 0 321.377 1.870 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@](C)(CN)C1CC1 ZINC000430591431 292293314 /nfs/dbraw/zinc/29/33/14/292293314.db2.gz FMNHIQANIHPSIL-MRXNPFEDSA-N 1 0 320.393 1.949 20 5 DDBDRO C[C@H](Cc1cccc(O)c1)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000570081525 304394676 /nfs/dbraw/zinc/39/46/76/304394676.db2.gz CUQCHTWOSNIWOY-IAQYHMDHSA-N 1 0 320.349 1.079 20 5 DDBDRO CCc1nn(C)c(N2CC[C@H](OCC[NH+](C)C)C2)c1[N+](=O)[O-] ZINC000361042932 299794828 /nfs/dbraw/zinc/79/48/28/299794828.db2.gz CCDHEAOZYROZJO-NSHDSACASA-N 1 0 311.386 1.048 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H]([NH3+])C(C)C ZINC000070447682 406816742 /nfs/dbraw/zinc/81/67/42/406816742.db2.gz FNNHPDTZRPWBCV-NSHDSACASA-N 1 0 301.368 1.165 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](C)C[C@H](C)[NH3+])c1C ZINC000570842558 304425205 /nfs/dbraw/zinc/42/52/05/304425205.db2.gz PAPFBWVYIDEGBH-UWVGGRQHSA-N 1 0 315.395 1.616 20 5 DDBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000073818209 406895317 /nfs/dbraw/zinc/89/53/17/406895317.db2.gz XMPPYHLRTSTSBT-OAHLLOKOSA-N 1 0 320.393 1.921 20 5 DDBDRO Cc1ccc([C@@H](C)[NH2+]CCCS(N)(=O)=O)cc1[N+](=O)[O-] ZINC000045067612 407039103 /nfs/dbraw/zinc/03/91/03/407039103.db2.gz ZPLYWBXQSRYQRC-SNVBAGLBSA-N 1 0 301.368 1.232 20 5 DDBDRO CC[NH+](CC)C[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000038286906 406999895 /nfs/dbraw/zinc/99/98/95/406999895.db2.gz LYUHTPHPBSOUMN-NSHDSACASA-N 1 0 315.395 1.603 20 5 DDBDRO CN1C(=O)NC2(CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)C1=O ZINC000090005296 407163343 /nfs/dbraw/zinc/16/33/43/407163343.db2.gz DRMORNFCDPNCRV-UHFFFAOYSA-N 1 0 318.333 1.111 20 5 DDBDRO O=[N+]([O-])c1cccc(N2CC[NH+](CCC3OCCO3)CC2)c1 ZINC000123796145 407339199 /nfs/dbraw/zinc/33/91/99/407339199.db2.gz FCPLQRAMPHQFQG-UHFFFAOYSA-N 1 0 307.350 1.480 20 5 DDBDRO CN(C(=O)C[N@H+](C)C[C@H]1CCCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000107694967 407378464 /nfs/dbraw/zinc/37/84/64/407378464.db2.gz DUOFPMUULPFVTK-CYBMUJFWSA-N 1 0 321.377 1.916 20 5 DDBDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000185802488 407509508 /nfs/dbraw/zinc/50/95/08/407509508.db2.gz DQURYWUXTVLNJB-GHMZBOCLSA-N 1 0 306.366 1.780 20 5 DDBDRO NC(=O)CC[C@H]1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000170731879 407487316 /nfs/dbraw/zinc/48/73/16/407487316.db2.gz YVHWIEILBYXRKX-CYBMUJFWSA-N 1 0 321.377 1.951 20 5 DDBDRO C[NH+](C)C[C@H]1CCN(C(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000113455447 407506204 /nfs/dbraw/zinc/50/62/04/407506204.db2.gz YHLWSYNURKCCLW-GFCCVEGCSA-N 1 0 307.350 1.384 20 5 DDBDRO COC[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000265794795 407456959 /nfs/dbraw/zinc/45/69/59/407456959.db2.gz MYMBIOUOXNCPSH-NEPJUHHUSA-N 1 0 307.350 1.890 20 5 DDBDRO C[C@H]1c2ccccc2CC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266540041 407552274 /nfs/dbraw/zinc/55/22/74/407552274.db2.gz PRXSKKMKVQBXKL-WFASDCNBSA-N 1 0 316.361 1.772 20 5 DDBDRO C[NH2+][C@@H]1CCCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000261671295 407574205 /nfs/dbraw/zinc/57/42/05/407574205.db2.gz CAWIQRAQJAPZNI-WCQYABFASA-N 1 0 306.366 1.606 20 5 DDBDRO COCC1=CC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000185815536 407510920 /nfs/dbraw/zinc/51/09/20/407510920.db2.gz SVAPUADVUQQFDB-CQSZACIVSA-N 1 0 322.361 1.613 20 5 DDBDRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000128243006 407512933 /nfs/dbraw/zinc/51/29/33/407512933.db2.gz YRFKUBYBAFDALA-VXGBXAGGSA-N 1 0 306.366 1.783 20 5 DDBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000178627207 407517396 /nfs/dbraw/zinc/51/73/96/407517396.db2.gz KBGUGJKJJZPNRT-SWLSCSKDSA-N 1 0 318.377 1.702 20 5 DDBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2c([N+](=O)[O-])c(C)nn2C)[C@H](C)C1 ZINC000265947305 407523022 /nfs/dbraw/zinc/52/30/22/407523022.db2.gz KAYVJKIEIKPNQH-PWSUYJOCSA-N 1 0 323.397 1.439 20 5 DDBDRO Cn1cc(C[N@@H+]2CC[C@H](O)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000271124555 407525540 /nfs/dbraw/zinc/52/55/40/407525540.db2.gz ZLWTWEGREADZOL-AWEZNQCLSA-N 1 0 302.334 1.562 20 5 DDBDRO Cn1cc([N+](=O)[O-])c(C(=O)NCCC[N@H+](C)C2CCCCC2)n1 ZINC000271329755 407638700 /nfs/dbraw/zinc/63/87/00/407638700.db2.gz ARJNQZJBKHWIQX-UHFFFAOYSA-N 1 0 323.397 1.713 20 5 DDBDRO C[C@H]1OCC[C@@]1(O)C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000227966846 407642638 /nfs/dbraw/zinc/64/26/38/407642638.db2.gz GJRWTJZLXKFACD-NOZJJQNGSA-N 1 0 300.742 1.878 20 5 DDBDRO O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCC2(CC[NH2+]C2)CC1 ZINC000261927612 407676105 /nfs/dbraw/zinc/67/61/05/407676105.db2.gz ZOFMRXAYTUAFLT-UHFFFAOYSA-N 1 0 307.325 1.950 20 5 DDBDRO C[NH+](C)[C@@]1(CNC(=O)c2ccc([N+](=O)[O-])cc2)CCSC1 ZINC000267056447 407732989 /nfs/dbraw/zinc/73/29/89/407732989.db2.gz AVWGRFRTABQBSR-CQSZACIVSA-N 1 0 309.391 1.762 20 5 DDBDRO CC[NH2+][C@H](C)CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000262465996 407840945 /nfs/dbraw/zinc/84/09/45/407840945.db2.gz NSFQRXGFMWZAIW-SNVBAGLBSA-N 1 0 301.368 1.180 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000133353405 407832925 /nfs/dbraw/zinc/83/29/25/407832925.db2.gz MOUIZIYRVPZFRR-GFCCVEGCSA-N 1 0 321.381 1.090 20 5 DDBDRO O=[N+]([O-])c1ccc(OCCN2CC[C@](O)(C(F)(F)F)C2)cc1 ZINC000267343402 407842537 /nfs/dbraw/zinc/84/25/37/407842537.db2.gz CYSLXTMDQQTEGE-GFCCVEGCSA-N 1 0 320.267 1.973 20 5 DDBDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000272322419 407866321 /nfs/dbraw/zinc/86/63/21/407866321.db2.gz UFHNIGDFGWXXFR-RYUDHWBXSA-N 1 0 307.350 1.559 20 5 DDBDRO O=C(CN1CC[C@]2(CC[NH2+]C2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000262562385 407868316 /nfs/dbraw/zinc/86/83/16/407868316.db2.gz VUPGCDXWQRCTFE-HNNXBMFYSA-N 1 0 304.350 1.219 20 5 DDBDRO [NH3+]C[C@@H](NC(=O)COc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000238065636 407880461 /nfs/dbraw/zinc/88/04/61/407880461.db2.gz UPYNWVGLXZCWAK-CYBMUJFWSA-N 1 0 321.377 1.997 20 5 DDBDRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000118117449 407896513 /nfs/dbraw/zinc/89/65/13/407896513.db2.gz AVPVIQNYVQZLFN-NSHDSACASA-N 1 0 322.365 1.380 20 5 DDBDRO COCC[NH+]1CCC(NC(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000272400938 407903298 /nfs/dbraw/zinc/90/32/98/407903298.db2.gz HRRXIOOFXLSIQY-UHFFFAOYSA-N 1 0 322.365 1.018 20 5 DDBDRO C[C@@H]1C[C@H](N(C)C(=O)c2c(N)cccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000272570089 407989173 /nfs/dbraw/zinc/98/91/73/407989173.db2.gz CWQLOFHNJHPERV-GHMZBOCLSA-N 1 0 306.366 1.732 20 5 DDBDRO Cc1nc(N2CC[NH+](C3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000268512273 408077992 /nfs/dbraw/zinc/07/79/92/408077992.db2.gz SICJBCZWSIOEBF-UHFFFAOYSA-N 1 0 306.366 1.599 20 5 DDBDRO C[C@@]1(O)CCC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000245852739 408078423 /nfs/dbraw/zinc/07/84/23/408078423.db2.gz DBZZVXKEZWXKQB-UKRRQHHQSA-N 1 0 310.350 1.181 20 5 DDBDRO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1CC(C)(C)O ZINC000189876838 408125862 /nfs/dbraw/zinc/12/58/62/408125862.db2.gz IFWHNSMIVFVGIJ-CYBMUJFWSA-N 1 0 307.394 1.872 20 5 DDBDRO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N1CC([NH+](C)C)C1 ZINC000273215010 408110898 /nfs/dbraw/zinc/11/08/98/408110898.db2.gz HJDNBYGNFVRZIJ-UHFFFAOYSA-N 1 0 311.313 1.661 20 5 DDBDRO CC1(C)CN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC[NH2+]1 ZINC000175429862 408127172 /nfs/dbraw/zinc/12/71/72/408127172.db2.gz IULXPOLQPZJCNZ-UHFFFAOYSA-N 1 0 303.322 1.295 20 5 DDBDRO CC1(C)CN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC000175431532 408129948 /nfs/dbraw/zinc/12/99/48/408129948.db2.gz VACNJIRACBNZAU-UHFFFAOYSA-N 1 0 318.377 1.993 20 5 DDBDRO COC[C@H]1CC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000273339204 408158486 /nfs/dbraw/zinc/15/84/86/408158486.db2.gz NIMCEMDYUYQEKH-QWHCGFSZSA-N 1 0 310.350 1.303 20 5 DDBDRO Cn1cccc1[C@H]1CCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000246465401 408263945 /nfs/dbraw/zinc/26/39/45/408263945.db2.gz AKJYTKNBPAHZKU-UKRRQHHQSA-N 1 0 319.365 1.328 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCS[C@H]3COCC[C@H]32)c1 ZINC000246282976 408205821 /nfs/dbraw/zinc/20/58/21/408205821.db2.gz NVVMKYAMGGBPLV-KFWWJZLASA-N 1 0 324.402 1.835 20 5 DDBDRO C[NH+](C)C[C@@](C)(O)CNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000273471127 408214859 /nfs/dbraw/zinc/21/48/59/408214859.db2.gz OMTUQPHQFFJRPM-ZDUSSCGKSA-N 1 0 314.317 1.168 20 5 DDBDRO C[NH2+]CCCN(C)S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000127101924 161917529 /nfs/dbraw/zinc/91/75/29/161917529.db2.gz NNEYRALHSRPYMH-UHFFFAOYSA-N 1 0 301.368 1.133 20 5 DDBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H](C)[C@H](CO)C1 ZINC000190850224 408330244 /nfs/dbraw/zinc/33/02/44/408330244.db2.gz MWQTVAKGOCOSDS-WOPDTQHZSA-N 1 0 307.350 1.482 20 5 DDBDRO CN(CCC[NH+](C)C)C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000183123803 408332082 /nfs/dbraw/zinc/33/20/82/408332082.db2.gz DEPYWIQCAUKSIM-UHFFFAOYSA-N 1 0 309.322 1.347 20 5 DDBDRO COc1cc(C(=O)N(C)C2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000264046749 408351695 /nfs/dbraw/zinc/35/16/95/408351695.db2.gz DDWUYAQVYHQTHA-UHFFFAOYSA-N 1 0 307.350 1.770 20 5 DDBDRO CNC(=O)CC1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000269668990 408385835 /nfs/dbraw/zinc/38/58/35/408385835.db2.gz UCWYLBBMAUNVLZ-HNNXBMFYSA-N 1 0 321.377 1.476 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)NC2CC[NH+](CC(C)C)CC2)n1 ZINC000191787514 408491142 /nfs/dbraw/zinc/49/11/42/408491142.db2.gz DOSPPZZDFUYLAN-UHFFFAOYSA-N 1 0 323.397 1.661 20 5 DDBDRO C[C@@H](Cn1cccn1)[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000265106024 408553491 /nfs/dbraw/zinc/55/34/91/408553491.db2.gz YCMIXZBWYJPIMF-NSHDSACASA-N 1 0 303.322 1.408 20 5 DDBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C1Cc2ccccc2C1 ZINC000270566804 408581518 /nfs/dbraw/zinc/58/15/18/408581518.db2.gz MISDHEBCXOAFSH-UHFFFAOYSA-N 1 0 313.357 1.856 20 5 DDBDRO C[C@H](O)C[N@@H+]1CCN(c2c3c(ccc2[N+](=O)[O-])NCC3)C[C@@H]1C ZINC000275387161 408588314 /nfs/dbraw/zinc/58/83/14/408588314.db2.gz PYSWOEPDMHWHBM-RYUDHWBXSA-N 1 0 320.393 1.454 20 5 DDBDRO CCCc1n[nH]c(C(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000177144784 408535145 /nfs/dbraw/zinc/53/51/45/408535145.db2.gz YYCGSTDKPLKFKD-UWVGGRQHSA-N 1 0 321.381 1.625 20 5 DDBDRO CCOc1ccc(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1[N+](=O)[O-] ZINC000248638295 408606261 /nfs/dbraw/zinc/60/62/61/408606261.db2.gz QTSBCAHLJUAUCG-RWMBFGLXSA-N 1 0 319.361 1.803 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H]1CO ZINC000265378598 408630813 /nfs/dbraw/zinc/63/08/13/408630813.db2.gz BZFOTBHEVNHDBE-ZDUSSCGKSA-N 1 0 307.350 1.689 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000177522354 408644972 /nfs/dbraw/zinc/64/49/72/408644972.db2.gz HKXMMSSQQQXLPL-VXGBXAGGSA-N 1 0 309.370 1.089 20 5 DDBDRO C[N@H+](CCCO)C1CCN(c2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000192793986 408650843 /nfs/dbraw/zinc/65/08/43/408650843.db2.gz JYYDHTAUOVLYQV-UHFFFAOYSA-N 1 0 308.382 1.460 20 5 DDBDRO Cc1ccc(NC(=O)C(=O)N2CCC[N@@H+](C)CC2)cc1[N+](=O)[O-] ZINC000161992483 408657619 /nfs/dbraw/zinc/65/76/19/408657619.db2.gz QKJFJXOAIGLVOK-UHFFFAOYSA-N 1 0 320.349 1.006 20 5 DDBDRO C[C@@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@H]1CCOC1 ZINC000162807373 408735226 /nfs/dbraw/zinc/73/52/26/408735226.db2.gz IQXDGRQOCSKJBO-YPMHNXCESA-N 1 0 319.361 1.499 20 5 DDBDRO Cn1cc([N+](=O)[O-])c(C(=O)NC[C@H](c2cccs2)[NH+](C)C)n1 ZINC000270785363 408682150 /nfs/dbraw/zinc/68/21/50/408682150.db2.gz VHMFNBNYLIEAAF-SECBINFHSA-N 1 0 323.378 1.423 20 5 DDBDRO [NH3+][C@H]1CC[C@@H]2CN(C(=O)/C=C/c3ccccc3[N+](=O)[O-])C[C@@H]12 ZINC000185123597 408762268 /nfs/dbraw/zinc/76/22/68/408762268.db2.gz CQCCNRVJSGRSDT-MGWMHTHJSA-N 1 0 301.346 1.804 20 5 DDBDRO CC[N@@H+]1CC[C@H](N(C)c2nccc(C(N)=O)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000290814684 408837927 /nfs/dbraw/zinc/83/79/27/408837927.db2.gz RQZRQIRZHWGZRH-JQWIXIFHSA-N 1 0 321.381 1.255 20 5 DDBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000285999987 408904850 /nfs/dbraw/zinc/90/48/50/408904850.db2.gz IQXKSOBOAOSTHP-ZETOZRRWSA-N 1 0 306.366 1.509 20 5 DDBDRO C[NH+](C)Cc1ccnc(NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)c1 ZINC000187166817 163007729 /nfs/dbraw/zinc/00/77/29/163007729.db2.gz HOCNLMXZZCMNJB-UHFFFAOYSA-N 1 0 317.305 1.404 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCCC3)c1 ZINC000194117373 163274950 /nfs/dbraw/zinc/27/49/50/163274950.db2.gz JUMMQQJTPOKIQI-HZSPNIEDSA-N 1 0 306.366 1.729 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)c1 ZINC000194117359 163275782 /nfs/dbraw/zinc/27/57/82/163275782.db2.gz JUMMQQJTPOKIQI-MGPQQGTHSA-N 1 0 306.366 1.729 20 5 DDBDRO C[C@H](O)C[N@@H+]1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H]1C ZINC000277482178 408948367 /nfs/dbraw/zinc/94/83/67/408948367.db2.gz CPGBAXREHGDQDY-MNOVXSKESA-N 1 0 319.365 1.362 20 5 DDBDRO COc1cc(C(=O)N[C@@H]2CCC[NH2+][C@@H]2C)cc([N+](=O)[O-])c1OC ZINC000277447658 408943029 /nfs/dbraw/zinc/94/30/29/408943029.db2.gz FZIBFTQUCFOWML-MWLCHTKSSA-N 1 0 323.349 1.482 20 5 DDBDRO CC(C)[C@@H](C[NH3+])C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000236675187 163358815 /nfs/dbraw/zinc/35/88/15/163358815.db2.gz AGTBYELBCLQSJQ-OAHLLOKOSA-N 1 0 320.393 1.474 20 5 DDBDRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000277583585 408969814 /nfs/dbraw/zinc/96/98/14/408969814.db2.gz OQRVEHSICMQCPY-SKDRFNHKSA-N 1 0 311.313 1.227 20 5 DDBDRO C[C@H]([NH2+][C@@H]1CCOC[C@@H]1C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000277665204 408988585 /nfs/dbraw/zinc/98/85/85/408988585.db2.gz FUBVSCQLJVXXFG-SDDRHHMPSA-N 1 0 307.350 1.936 20 5 DDBDRO Cn1cc([C@@H]2C[N@H+](Cc3cccc([N+](=O)[O-])c3)C[C@H]2CO)cn1 ZINC000277920432 409035431 /nfs/dbraw/zinc/03/54/31/409035431.db2.gz XYRPDRJYSAEDBK-HOCLYGCPSA-N 1 0 316.361 1.536 20 5 DDBDRO CCC1(O)CN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000282840618 409064553 /nfs/dbraw/zinc/06/45/53/409064553.db2.gz FITACXNBRNBBJJ-UHFFFAOYSA-N 1 0 316.317 1.377 20 5 DDBDRO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC[N@@H+](C2CCC2)C1 ZINC000293604294 409146774 /nfs/dbraw/zinc/14/67/74/409146774.db2.gz DCMHEUKNMJIJKT-JTQLQIEISA-N 1 0 307.354 1.264 20 5 DDBDRO O=C(C[NH2+][C@H]1CCC[C@H]1CCO)Nc1ccccc1[N+](=O)[O-] ZINC000279262733 409180863 /nfs/dbraw/zinc/18/08/63/409180863.db2.gz MLRCYSRFSASAGU-RYUDHWBXSA-N 1 0 307.350 1.674 20 5 DDBDRO Cc1sc(C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)cc1[N+](=O)[O-] ZINC000289113350 409221025 /nfs/dbraw/zinc/22/10/25/409221025.db2.gz CYQIJGWHTCMTNO-NSHDSACASA-N 1 0 324.406 1.084 20 5 DDBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000279486162 409224402 /nfs/dbraw/zinc/22/44/02/409224402.db2.gz RENRAPWRKUQVIZ-ZANVPECISA-N 1 0 324.356 1.728 20 5 DDBDRO C[NH+]1CCC(Cc2nc(Cc3ccc([N+](=O)[O-])cn3)no2)CC1 ZINC000290049379 409293536 /nfs/dbraw/zinc/29/35/36/409293536.db2.gz JOIJBUBHBVTEON-UHFFFAOYSA-N 1 0 317.349 1.848 20 5 DDBDRO Cc1cc(C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)c(N)c([N+](=O)[O-])c1 ZINC000290054760 409294151 /nfs/dbraw/zinc/29/41/51/409294151.db2.gz HIFORUNPKMLHSM-WDEREUQCSA-N 1 0 304.350 1.167 20 5 DDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])NCC[N@H+]1CC=CCC1 ZINC000280460136 409315763 /nfs/dbraw/zinc/31/57/63/409315763.db2.gz ZRYVVJXMTIJDOH-UHFFFAOYSA-N 1 0 318.377 1.698 20 5 DDBDRO O=C(CN1CC[C@H]2[NH2+]CC[C@@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000262480816 163835304 /nfs/dbraw/zinc/83/53/04/163835304.db2.gz JXSWEWJANCDZDF-VXGBXAGGSA-N 1 0 304.350 1.217 20 5 DDBDRO Cc1cc(OCC(=O)N[C@@H](C)CC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000280618848 409382531 /nfs/dbraw/zinc/38/25/31/409382531.db2.gz SOHKLJXGKQQUGU-LBPRGKRZSA-N 1 0 309.366 1.738 20 5 DDBDRO C[N@@H+]1CCO[C@H]2CCN(c3ncc([N+](=O)[O-])cc3Cl)C[C@@H]21 ZINC000284414804 409341365 /nfs/dbraw/zinc/34/13/65/409341365.db2.gz BUPBFPSAYNBTBK-RYUDHWBXSA-N 1 0 312.757 1.553 20 5 DDBDRO Nc1c(C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000317069884 164025398 /nfs/dbraw/zinc/02/53/98/164025398.db2.gz JHEDHRGBJPQLLU-LLVKDONJSA-N 1 0 304.350 1.487 20 5 DDBDRO C[C@@H]1[C@@H](NC(=O)NCc2ccccc2[N+](=O)[O-])CCC[N@@H+]1C ZINC000343609418 164087242 /nfs/dbraw/zinc/08/72/42/164087242.db2.gz SJUUGEFOEVFGRD-YPMHNXCESA-N 1 0 306.366 1.877 20 5 DDBDRO CC[N@@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000363441652 164160294 /nfs/dbraw/zinc/16/02/94/164160294.db2.gz LNUMVQUBVGJSGL-UHFFFAOYSA-N 1 0 307.350 1.771 20 5 DDBDRO CCCc1n[nH]c(C(=O)N[C@@H](C)C[N@H+](C)C(C)C)c1[N+](=O)[O-] ZINC000356811741 409630647 /nfs/dbraw/zinc/63/06/47/409630647.db2.gz PPHSXLWOGHBMEO-JTQLQIEISA-N 1 0 311.386 1.729 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[N@@H+](C)[C@@H](C)[C@@H]1C ZINC000357012405 409795181 /nfs/dbraw/zinc/79/51/81/409795181.db2.gz YQJUYRQNWITJOT-STQMWFEESA-N 1 0 320.393 1.866 20 5 DDBDRO CN(C(=O)c1cc([N+](=O)[O-])nn1C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000342799524 409912946 /nfs/dbraw/zinc/91/29/46/409912946.db2.gz WXFXKHQDLSSLFO-ZACCUICWSA-N 1 0 307.354 1.026 20 5 DDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000297292539 409898193 /nfs/dbraw/zinc/89/81/93/409898193.db2.gz XHFQIVLMSPNVRL-UHFFFAOYSA-N 1 0 318.377 1.924 20 5 DDBDRO COC[C@]1(CNC(=O)c2cc([N+](=O)[O-])c(C)s2)CCC[NH2+]1 ZINC000357295786 409960282 /nfs/dbraw/zinc/96/02/82/409960282.db2.gz XDHUPLTZHIURLT-CYBMUJFWSA-N 1 0 313.379 1.463 20 5 DDBDRO C[N@@H+]1CCC[C@H]1CCN1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000298020339 410083201 /nfs/dbraw/zinc/08/32/01/410083201.db2.gz DOYBNTLUUZDOFT-AWEZNQCLSA-N 1 0 319.409 1.596 20 5 DDBDRO COC(=O)c1cc(C)nc(N[C@@H]2CCC[C@H]2[NH+](C)C)c1[N+](=O)[O-] ZINC000342999351 410066459 /nfs/dbraw/zinc/06/64/59/410066459.db2.gz YZCYHXPLAOJDSU-VXGBXAGGSA-N 1 0 322.365 1.979 20 5 DDBDRO Cc1c(NC(=O)[C@H](C)N2CCC[N@H+](C)CC2)cccc1[N+](=O)[O-] ZINC000298087957 410107488 /nfs/dbraw/zinc/10/74/88/410107488.db2.gz PZWPFJRQRDEMLI-ZDUSSCGKSA-N 1 0 320.393 1.868 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000357785842 410248095 /nfs/dbraw/zinc/24/80/95/410248095.db2.gz DMODAMAUCPNMLF-OAHLLOKOSA-N 1 0 307.350 1.752 20 5 DDBDRO O=C(NCCC[NH+]1CCC(O)CC1)Nc1cccc([N+](=O)[O-])c1 ZINC000298683790 410346145 /nfs/dbraw/zinc/34/61/45/410346145.db2.gz KKCJWNSDAZWJDK-UHFFFAOYSA-N 1 0 322.365 1.563 20 5 DDBDRO C[C@@H]([NH3+])[C@@H]1CCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000351856780 410293143 /nfs/dbraw/zinc/29/31/43/410293143.db2.gz WFYKWZVJQYHVRZ-VXGBXAGGSA-N 1 0 306.366 1.227 20 5 DDBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)C(=O)N(C)C ZINC000357850351 410294226 /nfs/dbraw/zinc/29/42/26/410294226.db2.gz NBNPHPLHFZQYOX-QWRGUYRKSA-N 1 0 322.365 1.378 20 5 DDBDRO C[C@@H]([NH3+])[C@@H]1CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000351863123 410302189 /nfs/dbraw/zinc/30/21/89/410302189.db2.gz RVYTWQJRFSMWHJ-DGCLKSJQSA-N 1 0 318.377 1.153 20 5 DDBDRO Cn1c(C(=O)N2CCC(OCC[NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000351879681 410315738 /nfs/dbraw/zinc/31/57/38/410315738.db2.gz BDLASWIHRXZMSL-UHFFFAOYSA-N 1 0 324.381 1.116 20 5 DDBDRO C[C@@H]1[C@@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)CCC[N@@H+]1C ZINC000343460318 410470090 /nfs/dbraw/zinc/47/00/90/410470090.db2.gz SHYHHJKYZNGYOU-RISCZKNCSA-N 1 0 307.350 1.573 20 5 DDBDRO C[C@@H]1[C@H](NC(=O)COc2ccccc2[N+](=O)[O-])CCC[N@@H+]1C ZINC000343464890 410473162 /nfs/dbraw/zinc/47/31/62/410473162.db2.gz YVUPJVFNUCZCRI-VXGBXAGGSA-N 1 0 307.350 1.573 20 5 DDBDRO C[NH+](C)CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000298874499 410433100 /nfs/dbraw/zinc/43/31/00/410433100.db2.gz XMHYFAIZDWQWGE-UHFFFAOYSA-N 1 0 321.786 1.478 20 5 DDBDRO C[C@H]1CN(c2ccc([N+](=O)[O-])nc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000343420811 410438084 /nfs/dbraw/zinc/43/80/84/410438084.db2.gz BHYBYJWZGVDKQS-DZGCQCFKSA-N 1 0 319.409 1.452 20 5 DDBDRO C[C@H]1[C@@H](NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CCC[N@@H+]1C ZINC000343427196 410442924 /nfs/dbraw/zinc/44/29/24/410442924.db2.gz DQVDDGJGHLUTHY-JQWIXIFHSA-N 1 0 309.370 1.125 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCCC[NH+](C)C)cc1C ZINC000299044385 410496041 /nfs/dbraw/zinc/49/60/41/410496041.db2.gz KAJZKJJUYZJEES-UHFFFAOYSA-N 1 0 315.395 1.442 20 5 DDBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000347394887 410519459 /nfs/dbraw/zinc/51/94/59/410519459.db2.gz XZERFUITGKMYLG-LBPRGKRZSA-N 1 0 306.366 1.727 20 5 DDBDRO CN(CCC[NH+]1CCCC1)C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000343747891 410664316 /nfs/dbraw/zinc/66/43/16/410664316.db2.gz KNMGIOUBMHFNEF-UHFFFAOYSA-N 1 0 320.393 1.951 20 5 DDBDRO C[NH+](C)[C@@H]1CCC[C@H](Nc2cccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000340016731 410618570 /nfs/dbraw/zinc/61/85/70/410618570.db2.gz TWHLDQZFYDBLKM-WDEREUQCSA-N 1 0 306.366 1.978 20 5 DDBDRO C[C@H]1C[C@@H](NC(=O)NCCc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000340098173 410675553 /nfs/dbraw/zinc/67/55/53/410675553.db2.gz VVPHIMVYLITDJU-JSGCOSHPSA-N 1 0 320.393 1.919 20 5 DDBDRO COCCC[N@H+](C)CCNc1nc2ccccc2cc1[N+](=O)[O-] ZINC000352366209 410649892 /nfs/dbraw/zinc/64/98/92/410649892.db2.gz CDORECQOUUVABM-UHFFFAOYSA-N 1 0 318.377 2.523 20 5 DDBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1C[C@H]2CCS(=O)(=O)[C@H]2C1 ZINC000352988839 410718456 /nfs/dbraw/zinc/71/84/56/410718456.db2.gz PKLCPKDDVYVZOE-QKCSRTOESA-N 1 0 310.375 1.775 20 5 DDBDRO C[C@@H]1CC[C@@]2(CC[N@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)C1 ZINC000359555598 410728403 /nfs/dbraw/zinc/72/84/03/410728403.db2.gz KRSMRNGVPDYUGD-VHDGCEQUSA-N 1 0 308.382 1.664 20 5 DDBDRO COC[C@H]([NH2+]CC(=O)Nc1c(C)cccc1[N+](=O)[O-])C1CC1 ZINC000347805633 410729590 /nfs/dbraw/zinc/72/95/90/410729590.db2.gz PQYFOUAHQMJYHW-LBPRGKRZSA-N 1 0 307.350 1.856 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)c1 ZINC000343829904 410730758 /nfs/dbraw/zinc/73/07/58/410730758.db2.gz NHUCSGXQWPTVRC-IINYFYTJSA-N 1 0 319.361 1.816 20 5 DDBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000330559655 410775264 /nfs/dbraw/zinc/77/52/64/410775264.db2.gz HJIUFEVWOKUZIO-NEPJUHHUSA-N 1 0 308.382 1.784 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC(C[NH+](C)C)CC1 ZINC000330569363 410785976 /nfs/dbraw/zinc/78/59/76/410785976.db2.gz MBAAGJUVJHBXQW-UHFFFAOYSA-N 1 0 323.397 1.290 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)CCC[NH+]1CCCC1 ZINC000330572689 410788617 /nfs/dbraw/zinc/78/86/17/410788617.db2.gz DNEFZABRHYDOQI-UHFFFAOYSA-N 1 0 306.366 1.856 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000330575846 410792100 /nfs/dbraw/zinc/79/21/00/410792100.db2.gz GEEHLZVIRMOIPO-OLZOCXBDSA-N 1 0 320.393 1.866 20 5 DDBDRO C[C@@H]1CN(C(=O)CNc2ccccc2[N+](=O)[O-])[C@@H](C)C[N@@H+]1C ZINC000330612439 410828287 /nfs/dbraw/zinc/82/82/87/410828287.db2.gz QVYINUJPTYCPJK-NEPJUHHUSA-N 1 0 306.366 1.558 20 5 DDBDRO CN(CC[NH+]1CCCC1)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000340301606 410838314 /nfs/dbraw/zinc/83/83/14/410838314.db2.gz MPOBHBMADWGVNG-UHFFFAOYSA-N 1 0 320.393 1.875 20 5 DDBDRO CO[C@H](C)C[N@H+](C)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000353236589 410870618 /nfs/dbraw/zinc/87/06/18/410870618.db2.gz SWFCGUJCGKVMOR-RISCZKNCSA-N 1 0 307.350 1.667 20 5 DDBDRO Cn1ccnc1[C@@H](NCC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000348342854 410925023 /nfs/dbraw/zinc/92/50/23/410925023.db2.gz ZQTJFHRLOFTJRM-AWEZNQCLSA-N 1 0 303.366 1.569 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C)[C@@H](C[NH3+])C1CC1 ZINC000359874358 410928124 /nfs/dbraw/zinc/92/81/24/410928124.db2.gz JBVZTVNFBPIPCS-ZDUSSCGKSA-N 1 0 306.366 1.511 20 5 DDBDRO C[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)CC1(O)CCC1 ZINC000353476124 411012389 /nfs/dbraw/zinc/01/23/89/411012389.db2.gz YMUSAGSIPMGPAH-UHFFFAOYSA-N 1 0 308.334 1.808 20 5 DDBDRO Cc1n[nH]c(C(=O)NCC[N@@H+]2CCCC(C)(C)C2)c1[N+](=O)[O-] ZINC000331279111 411055277 /nfs/dbraw/zinc/05/52/77/411055277.db2.gz ANEVLITVOWKVMG-UHFFFAOYSA-N 1 0 309.370 1.478 20 5 DDBDRO Cc1cc(OCC(=O)N2CC[NH2+]C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000331229151 411030333 /nfs/dbraw/zinc/03/03/33/411030333.db2.gz PBACXHJNYMLBRX-UHFFFAOYSA-N 1 0 307.350 1.492 20 5 DDBDRO C[C@H]([NH3+])CCC(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000580322452 422918402 /nfs/dbraw/zinc/91/84/02/422918402.db2.gz OZSZFXYBFGWJRY-VIFPVBQESA-N 1 0 303.322 2.051 20 5 DDBDRO C[C@@H](O)C[N@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000130782465 196109128 /nfs/dbraw/zinc/10/91/28/196109128.db2.gz KHZHTBNXSASBIW-LLVKDONJSA-N 1 0 304.350 1.808 20 5 DDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000132324474 196245691 /nfs/dbraw/zinc/24/56/91/196245691.db2.gz CXADMCIPOVCRHA-GHMZBOCLSA-N 1 0 313.379 1.261 20 5 DDBDRO CN(C(=O)c1ccc([N+](=O)[O-])n1C)C(C)(C)C[NH+]1CCCC1 ZINC000416098305 224800110 /nfs/dbraw/zinc/80/01/10/224800110.db2.gz SCEPEKMDEXJWRE-UHFFFAOYSA-N 1 0 308.382 1.880 20 5 DDBDRO C[C@@H]1CN(CCO)[C@@H](C)CN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000416731805 225043487 /nfs/dbraw/zinc/04/34/87/225043487.db2.gz ORGDMNPVXXSNTO-NWDGAFQWSA-N 1 0 322.365 1.514 20 5 DDBDRO COCCOCC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447526480 292583545 /nfs/dbraw/zinc/58/35/45/292583545.db2.gz BUDRHNHFOKIGSP-STQMWFEESA-N 1 0 312.370 1.528 20 5 DDBDRO C[C@H](NC(=O)NC[C@@H]1CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000417139454 225222364 /nfs/dbraw/zinc/22/23/64/225222364.db2.gz OSINKUAVHQXPSG-NWDGAFQWSA-N 1 0 306.366 1.955 20 5 DDBDRO Cc1ccc([C@@H](C)NC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1[N+](=O)[O-] ZINC000417857691 225470751 /nfs/dbraw/zinc/47/07/51/225470751.db2.gz UJEJEMPHGVDRSB-WUWHUORYSA-N 1 0 304.350 1.481 20 5 DDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000417763412 225429117 /nfs/dbraw/zinc/42/91/17/225429117.db2.gz KIXLTGQDZIMOOM-MRXNPFEDSA-N 1 0 318.377 1.532 20 5 DDBDRO [NH3+]C[C@H]1CC[C@H](NC(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000417774099 225435626 /nfs/dbraw/zinc/43/56/26/225435626.db2.gz YQKMRWIYJUEFEY-AAEUAGOBSA-N 1 0 306.366 1.564 20 5 DDBDRO Cc1cc(NC(=O)C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)n(C)n1 ZINC000296706537 226147033 /nfs/dbraw/zinc/14/70/33/226147033.db2.gz LMQHTOKAPTYLDW-NSHDSACASA-N 1 0 317.349 1.926 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)c1 ZINC000420437378 226494934 /nfs/dbraw/zinc/49/49/34/226494934.db2.gz PVXLQDLKCGVIOA-KOLCDFICSA-N 1 0 313.379 1.179 20 5 DDBDRO C[C@@H]1C[C@@H](CO)C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000420930635 226591085 /nfs/dbraw/zinc/59/10/85/226591085.db2.gz CRRPVFNDTKNSIB-CHWSQXEVSA-N 1 0 321.377 1.874 20 5 DDBDRO C[NH+](C)C1CCC(NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC1 ZINC000421684927 226759990 /nfs/dbraw/zinc/75/99/90/226759990.db2.gz MEGDYFSISOWEGV-UHFFFAOYSA-N 1 0 323.397 1.515 20 5 DDBDRO CC(C)(O)C[N@@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000366681726 418504068 /nfs/dbraw/zinc/50/40/68/418504068.db2.gz PKOGVRQQXIYFMY-UHFFFAOYSA-N 1 0 321.377 1.514 20 5 DDBDRO Cn1ccnc1CC1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000174850615 418518622 /nfs/dbraw/zinc/51/86/22/418518622.db2.gz XSIZSZJFWVIMMR-UHFFFAOYSA-N 1 0 318.381 1.480 20 5 DDBDRO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000360831958 418528105 /nfs/dbraw/zinc/52/81/05/418528105.db2.gz JVFRDCCCWCPGKU-HNNXBMFYSA-N 1 0 315.333 1.297 20 5 DDBDRO CNc1c(C(=O)N[C@H]2CCC[N@H+](C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000360931171 418550229 /nfs/dbraw/zinc/55/02/29/418550229.db2.gz MHWBMPPJSHRXCT-JQWIXIFHSA-N 1 0 306.366 1.849 20 5 DDBDRO C[C@@H]([NH3+])CNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000194943855 418551639 /nfs/dbraw/zinc/55/16/39/418551639.db2.gz YUIPQKSDMICQHS-MRVPVSSYSA-N 1 0 301.730 1.481 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[NH+](C3CCCC3)CC2)n1 ZINC000191767252 222108560 /nfs/dbraw/zinc/10/85/60/222108560.db2.gz OYQVYYUFOQBKTP-UHFFFAOYSA-N 1 0 321.381 1.512 20 5 DDBDRO C[N@@H+]1CC[C@H]2CCN(CCOc3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000375028365 418589803 /nfs/dbraw/zinc/58/98/03/418589803.db2.gz CJZVNEMITLNGDK-BBRMVZONSA-N 1 0 305.378 2.000 20 5 DDBDRO CNc1c(C(=O)NCC[N@H+](C)CCCOC)cccc1[N+](=O)[O-] ZINC000361211406 418607166 /nfs/dbraw/zinc/60/71/66/418607166.db2.gz HRXCDNHDTYMMHI-UHFFFAOYSA-N 1 0 324.381 1.335 20 5 DDBDRO O=C1NC(=O)[C@@H]2CN(Cc3ccc(Cl)cc3[N+](=O)[O-])CC[C@H]12 ZINC000367840328 418643907 /nfs/dbraw/zinc/64/39/07/418643907.db2.gz QDSKXAXHFFTWHW-WDEREUQCSA-N 1 0 323.736 1.343 20 5 DDBDRO CCCN(CC[NH+]1CCCCCC1)c1ncc([N+](=O)[O-])c(N)n1 ZINC000341075942 418625003 /nfs/dbraw/zinc/62/50/03/418625003.db2.gz WDGMSJKEZJSROZ-UHFFFAOYSA-N 1 0 322.413 2.059 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H](OC)C1 ZINC000361363412 418635688 /nfs/dbraw/zinc/63/56/88/418635688.db2.gz YPVKYYURTLMUAF-GFCCVEGCSA-N 1 0 323.349 1.653 20 5 DDBDRO C[C@H]1CC[N@H+](C)CCN1C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000361788239 418711099 /nfs/dbraw/zinc/71/10/99/418711099.db2.gz QWCLMXTVVGCOAI-ZDUSSCGKSA-N 1 0 320.393 1.584 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+](CC2CC2)CC2CCC2)c1 ZINC000361557812 418677417 /nfs/dbraw/zinc/67/74/17/418677417.db2.gz STQVQNFRGDYRLD-OAHLLOKOSA-N 1 0 308.382 1.664 20 5 DDBDRO C[C@H]1OCC[C@H]1[N@H+](CCO)CCOc1ccc([N+](=O)[O-])cc1 ZINC000361583628 418686674 /nfs/dbraw/zinc/68/66/74/418686674.db2.gz LPGOJQURIIQLMF-IUODEOHRSA-N 1 0 310.350 1.445 20 5 DDBDRO C[C@@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)[NH+]1CCCC1 ZINC000388817861 418748299 /nfs/dbraw/zinc/74/82/99/418748299.db2.gz AWOWHPPJKRKKNH-VIFPVBQESA-N 1 0 310.329 1.530 20 5 DDBDRO O=C(NC[C@H]1CCC[NH2+]1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000422776627 227170381 /nfs/dbraw/zinc/17/03/81/227170381.db2.gz AQROOIUQRZVPFN-SNVBAGLBSA-N 1 0 300.318 1.625 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](C[NH3+])C2CCCCC2)n1 ZINC000422833656 227207975 /nfs/dbraw/zinc/20/79/75/227207975.db2.gz MNLKCRZPYZBBNO-LLVKDONJSA-N 1 0 309.370 1.449 20 5 DDBDRO Nc1ccc(C(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1[N+](=O)[O-] ZINC000364746166 418807344 /nfs/dbraw/zinc/80/73/44/418807344.db2.gz LPUKFRUOBLVWTQ-OCCSQVGLSA-N 1 0 318.377 1.781 20 5 DDBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000372351424 418860139 /nfs/dbraw/zinc/86/01/39/418860139.db2.gz RXXQAWZWGBXOIU-BPLDGKMQSA-N 1 0 321.377 1.502 20 5 DDBDRO O=C(CCn1cc([N+](=O)[O-])cn1)N1CCCC2(CC[NH2+]CC2)C1 ZINC000372431526 418869147 /nfs/dbraw/zinc/86/91/47/418869147.db2.gz NHHMRGNPVCYAMH-UHFFFAOYSA-N 1 0 321.381 1.174 20 5 DDBDRO CC[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365513289 418869672 /nfs/dbraw/zinc/86/96/72/418869672.db2.gz PAEQSLVSENGZSY-VXGBXAGGSA-N 1 0 323.397 1.731 20 5 DDBDRO Nc1ccc(C(=O)N2CC[C@@]3(CCC[C@@H]3[NH3+])C2)cc1[N+](=O)[O-] ZINC000372777298 418900885 /nfs/dbraw/zinc/90/08/85/418900885.db2.gz UNCLBLGMNPFRSY-ZFWWWQNUSA-N 1 0 304.350 1.521 20 5 DDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424083261 228225789 /nfs/dbraw/zinc/22/57/89/228225789.db2.gz WZDZXYPLWAWIRS-GFCCVEGCSA-N 1 0 316.321 1.363 20 5 DDBDRO O=C(CC[N@@H+](CCO)C1CCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411609675 419360303 /nfs/dbraw/zinc/36/03/03/419360303.db2.gz GELUMFYGFJKOGS-UHFFFAOYSA-N 1 0 307.350 1.770 20 5 DDBDRO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H]2CCO)c2c(c1)COCO2 ZINC000426230922 419410614 /nfs/dbraw/zinc/41/06/14/419410614.db2.gz NXMYATSCNFTSJK-CYBMUJFWSA-N 1 0 308.334 1.808 20 5 DDBDRO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCC[C@@H]3CCO)n2)cc1 ZINC000426225411 419413454 /nfs/dbraw/zinc/41/34/54/419413454.db2.gz FBRYOVKMNVMLIP-GFCCVEGCSA-N 1 0 318.333 1.992 20 5 DDBDRO C[C@@H]1C[C@H](CO)C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000420943350 419372927 /nfs/dbraw/zinc/37/29/27/419372927.db2.gz PSSHVQSGBFTFFP-OLZOCXBDSA-N 1 0 321.377 1.874 20 5 DDBDRO Cc1c(CNC(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000418077936 419513914 /nfs/dbraw/zinc/51/39/14/419513914.db2.gz IRJWUUFPGVUJRA-UONOGXRCSA-N 1 0 318.377 1.654 20 5 DDBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000418388663 419765687 /nfs/dbraw/zinc/76/56/87/419765687.db2.gz STJLOFBTCIDHJT-ZDUSSCGKSA-N 1 0 306.366 1.877 20 5 DDBDRO C[NH+]1CCC(C(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC000427968852 419777520 /nfs/dbraw/zinc/77/75/20/419777520.db2.gz XMFPLHPXQHYWBV-UHFFFAOYSA-N 1 0 319.361 1.658 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000428044611 419800045 /nfs/dbraw/zinc/80/00/45/419800045.db2.gz UNYRWTAGHGSOIQ-JSGCOSHPSA-N 1 0 318.377 1.526 20 5 DDBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000418498130 419836840 /nfs/dbraw/zinc/83/68/40/419836840.db2.gz LGPRAFICSIZHBA-AWEZNQCLSA-N 1 0 306.366 1.516 20 5 DDBDRO CC(C)([NH3+])CNC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000418416663 419788874 /nfs/dbraw/zinc/78/88/74/419788874.db2.gz RPNYDXRPWXPMEY-UHFFFAOYSA-N 1 0 321.381 1.164 20 5 DDBDRO C[C@@H](C[NH3+])NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000418577327 419884164 /nfs/dbraw/zinc/88/41/64/419884164.db2.gz YWEUWMOSIQFAOQ-NSHDSACASA-N 1 0 322.365 1.495 20 5 DDBDRO CC(C)[C@@H](C(=O)NCCNc1ccccc1[N+](=O)[O-])[C@H](C)[NH3+] ZINC000422935979 419975586 /nfs/dbraw/zinc/97/55/86/419975586.db2.gz LLJONKDJGLXJRH-SMDDNHRTSA-N 1 0 308.382 1.742 20 5 DDBDRO COC(=O)[C@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)[C@H]1C(C)C ZINC000429364746 420007725 /nfs/dbraw/zinc/00/77/25/420007725.db2.gz SUVKUZGGFQRFTR-STQMWFEESA-N 1 0 310.354 1.311 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000415292472 420010261 /nfs/dbraw/zinc/01/02/61/420010261.db2.gz HERMPFMMWLBTPO-LBPRGKRZSA-N 1 0 322.365 1.712 20 5 DDBDRO COc1ccc(NC(=O)NCC[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000415442726 420068643 /nfs/dbraw/zinc/06/86/43/420068643.db2.gz QJAISSLENVQXAB-SNVBAGLBSA-N 1 0 308.338 1.725 20 5 DDBDRO Cc1ccc(NC(=O)C(=O)N2CCC(C[NH3+])CC2)cc1[N+](=O)[O-] ZINC000415308419 420016836 /nfs/dbraw/zinc/01/68/36/420016836.db2.gz XJUVUTKZGVQKST-UHFFFAOYSA-N 1 0 320.349 1.039 20 5 DDBDRO CC[NH2+][C@H](C)CN[C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000423380006 420032140 /nfs/dbraw/zinc/03/21/40/420032140.db2.gz MMFQQOGRXHOXDI-NWDGAFQWSA-N 1 0 308.382 1.900 20 5 DDBDRO C[NH+](C)[C@H](CNc1ncc([N+](=O)[O-])c(N)n1)C1CCCCC1 ZINC000301176178 229545480 /nfs/dbraw/zinc/54/54/80/229545480.db2.gz WULHNTPXPRLSOA-LLVKDONJSA-N 1 0 308.386 1.889 20 5 DDBDRO COc1ccc(NC(=O)N(C)[C@H](C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000415438636 420066027 /nfs/dbraw/zinc/06/60/27/420066027.db2.gz MERWZNXSHBVZKG-GFCCVEGCSA-N 1 0 308.338 1.804 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1CN(CCO)[C@@H]1CCO[C@@H]1C ZINC000430248471 420096454 /nfs/dbraw/zinc/09/64/54/420096454.db2.gz ZQKRBBPZMZWIOY-BXUZGUMPSA-N 1 0 310.350 1.575 20 5 DDBDRO Cc1cc(C(=O)NC[C@](C)(O)CC[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000420029283 420098353 /nfs/dbraw/zinc/09/83/53/420098353.db2.gz DBELXCZCDCEYFF-OAHLLOKOSA-N 1 0 309.366 1.336 20 5 DDBDRO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000415628377 420129022 /nfs/dbraw/zinc/12/90/22/420129022.db2.gz FAGJYOURYFVJNX-CQSZACIVSA-N 1 0 308.313 1.951 20 5 DDBDRO C[C@@H]([NH3+])[C@@H](C)NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000415811606 420186795 /nfs/dbraw/zinc/18/67/95/420186795.db2.gz RZPNWAQKBPPFTD-RNFRBKRXSA-N 1 0 314.729 1.039 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)c1 ZINC000423751221 420160921 /nfs/dbraw/zinc/16/09/21/420160921.db2.gz VQAODOVUQFPGNK-GHMZBOCLSA-N 1 0 307.350 1.851 20 5 DDBDRO CC1(C)CCC[NH2+][C@@H]1CNc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000420238808 420164089 /nfs/dbraw/zinc/16/40/89/420164089.db2.gz HVQQMKIDPFPGFI-SNVBAGLBSA-N 1 0 304.354 1.828 20 5 DDBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC(C[NH3+])CC1 ZINC000430645148 420169386 /nfs/dbraw/zinc/16/93/86/420169386.db2.gz OASRQZHVGUSENI-LLVKDONJSA-N 1 0 306.366 1.593 20 5 DDBDRO Cc1cc(S(=O)(=O)NC(C)(C)CCC[NH3+])ccc1[N+](=O)[O-] ZINC000431024462 420233634 /nfs/dbraw/zinc/23/36/34/420233634.db2.gz OXAVZPRCXKOAMB-UHFFFAOYSA-N 1 0 315.395 1.699 20 5 DDBDRO [NH3+]CC[C@H](NC(=O)NCc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000415993573 420234335 /nfs/dbraw/zinc/23/43/35/420234335.db2.gz JLILMYNRMANLFA-JTQLQIEISA-N 1 0 320.271 1.674 20 5 DDBDRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000420360923 420234902 /nfs/dbraw/zinc/23/49/02/420234902.db2.gz HOUVAILUZICTIX-XHBSWPGZSA-N 1 0 320.393 1.534 20 5 DDBDRO C[C@H](N[C@@H]1[C@H](C)CC[NH2+][C@@H]1C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000420373531 420246217 /nfs/dbraw/zinc/24/62/17/420246217.db2.gz RHJIDAQATKSXID-MCYUEQNJSA-N 1 0 320.393 1.898 20 5 DDBDRO C[C@@H]1CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000424014814 420307036 /nfs/dbraw/zinc/30/70/36/420307036.db2.gz LZJDKKAOCAJHLQ-OLZOCXBDSA-N 1 0 321.377 1.807 20 5 DDBDRO C[C@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)[C@@H](C)CN1CCO ZINC000416288732 420307383 /nfs/dbraw/zinc/30/73/83/420307383.db2.gz DOQBJUWSBCELLG-UWVGGRQHSA-N 1 0 313.379 1.183 20 5 DDBDRO CC[N@H+](C)CCNS(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC000416390676 420352528 /nfs/dbraw/zinc/35/25/28/420352528.db2.gz NQURDFYMIJNNTG-UHFFFAOYSA-N 1 0 315.395 1.442 20 5 DDBDRO CC(C)c1ccc(C(=O)NC[C@H]2C[NH2+]CCO2)cc1[N+](=O)[O-] ZINC000423994908 420298846 /nfs/dbraw/zinc/29/88/46/420298846.db2.gz IVFWNNZGXXKKHH-GFCCVEGCSA-N 1 0 307.350 1.436 20 5 DDBDRO Cc1cc(S(=O)(=O)N[C@@H]2CCC[C@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000445560751 230183592 /nfs/dbraw/zinc/18/35/92/230183592.db2.gz ZXGSWIXXROIGCA-WDEREUQCSA-N 1 0 313.379 1.451 20 5 DDBDRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000439696547 420532601 /nfs/dbraw/zinc/53/26/01/420532601.db2.gz NMXWLNXCBOGLMJ-ZDUSSCGKSA-N 1 0 323.397 1.418 20 5 DDBDRO C[C@@H]([NH3+])C1CCN(C(=O)NCCc2ccccc2[N+](=O)[O-])CC1 ZINC000417773187 420475241 /nfs/dbraw/zinc/47/52/41/420475241.db2.gz WPHGQCFMYKNSOS-GFCCVEGCSA-N 1 0 320.393 1.906 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000451487983 420601038 /nfs/dbraw/zinc/60/10/38/420601038.db2.gz HSKJCWGQRYZLFK-YUELXQCFSA-N 1 0 319.361 1.304 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)n1 ZINC000457082140 420606158 /nfs/dbraw/zinc/60/61/58/420606158.db2.gz DOWWDCGNNOAHGB-NSHDSACASA-N 1 0 309.370 1.366 20 5 DDBDRO C[C@@H]1CCC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H]1CO ZINC000441692433 420660128 /nfs/dbraw/zinc/66/01/28/420660128.db2.gz TUCRKFAXGKSFBY-XNRPHZJLSA-N 1 0 324.377 1.427 20 5 DDBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1COC[C@H]1O ZINC000453352549 420723903 /nfs/dbraw/zinc/72/39/03/420723903.db2.gz QHEBJQCMLXXVOP-NQBHXWOUSA-N 1 0 312.391 1.815 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[C@H](CC[NH3+])C1 ZINC000443058494 420740152 /nfs/dbraw/zinc/74/01/52/420740152.db2.gz KNQLPRBTFXIEIB-CYBMUJFWSA-N 1 0 320.393 1.903 20 5 DDBDRO C[C@@H](CNC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)[NH+](C)C ZINC000454797958 420926169 /nfs/dbraw/zinc/92/61/69/420926169.db2.gz OGURPDNCMSGUNV-VIFPVBQESA-N 1 0 314.773 1.998 20 5 DDBDRO Nc1c(C(=O)N[C@H]2C[NH2+]CCC2(F)F)cc(F)cc1[N+](=O)[O-] ZINC000449662388 421051091 /nfs/dbraw/zinc/05/10/91/421051091.db2.gz LFODTKGAZYLARY-VIFPVBQESA-N 1 0 318.255 1.043 20 5 DDBDRO CC(C)(C(=O)Nc1ccc2c(c1)C[NH2+]C2)n1cc([N+](=O)[O-])cn1 ZINC000449673876 421053883 /nfs/dbraw/zinc/05/38/83/421053883.db2.gz QUTNPIKCGVMNBD-UHFFFAOYSA-N 1 0 315.333 1.768 20 5 DDBDRO CCOc1cc(N2CC[NH+]([C@H](CC)CO)CC2)ccc1[N+](=O)[O-] ZINC000486955371 420994423 /nfs/dbraw/zinc/99/44/23/420994423.db2.gz FSPGSIYIJGAETA-CYBMUJFWSA-N 1 0 323.393 1.886 20 5 DDBDRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000487515347 421032425 /nfs/dbraw/zinc/03/24/25/421032425.db2.gz KHQTVVDCKUSRLE-YPMHNXCESA-N 1 0 321.381 1.153 20 5 DDBDRO CC[C@@H]([NH3+])CNC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000449603607 421036241 /nfs/dbraw/zinc/03/62/41/421036241.db2.gz HMFQHMYFVULADJ-LLVKDONJSA-N 1 0 317.349 1.462 20 5 DDBDRO COc1cc(OCC(=O)N[C@H]2CC[C@@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000449715345 421066106 /nfs/dbraw/zinc/06/61/06/421066106.db2.gz JAZFJDFKDIWEPA-MNOVXSKESA-N 1 0 323.349 1.226 20 5 DDBDRO O=C(COc1ccccc1[N+](=O)[O-])N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000449730135 421070096 /nfs/dbraw/zinc/07/00/96/421070096.db2.gz PNUVTFHTSOKMSE-WCQYABFASA-N 1 0 305.334 1.184 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)NCC[N@@H+]2CC[C@H](C)C2)c1 ZINC000524775179 421271125 /nfs/dbraw/zinc/27/11/25/421271125.db2.gz UOMAYEATFSEXHI-NSHDSACASA-N 1 0 307.350 1.675 20 5 DDBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000562977501 421433844 /nfs/dbraw/zinc/43/38/44/421433844.db2.gz ASIICEDXDSLHOR-ITMYJUKJSA-N 1 0 321.333 1.440 20 5 DDBDRO C[N@@H+]1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000551039516 421526356 /nfs/dbraw/zinc/52/63/56/421526356.db2.gz KIGZVAYNNFXMTC-UHFFFAOYSA-N 1 0 320.393 1.949 20 5 DDBDRO CC(C)[N@H+](C)CC1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000552057576 421571133 /nfs/dbraw/zinc/57/11/33/421571133.db2.gz HQHLMQOZBBQVEX-UHFFFAOYSA-N 1 0 309.370 1.510 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[NH2+]C2(C)C)c1 ZINC000563805082 421544132 /nfs/dbraw/zinc/54/41/32/421544132.db2.gz RZQPMUVHXXXRLE-ZDUSSCGKSA-N 1 0 307.350 1.864 20 5 DDBDRO [NH3+]C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 ZINC000563809603 421544333 /nfs/dbraw/zinc/54/43/33/421544333.db2.gz JQIALCOURBTWLL-JTQLQIEISA-N 1 0 321.333 1.177 20 5 DDBDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)C[C@@H](C)C1 ZINC000553785427 421625431 /nfs/dbraw/zinc/62/54/31/421625431.db2.gz ZEFLTRVISQPIRV-YWPYICTPSA-N 1 0 318.377 1.792 20 5 DDBDRO CC1(C)C[C@@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000570564035 421653587 /nfs/dbraw/zinc/65/35/87/421653587.db2.gz FNNGATHRPHLHSK-JSGCOSHPSA-N 1 0 324.377 1.882 20 5 DDBDRO Cc1ccc(CNC2(CCO)CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000519834654 421733913 /nfs/dbraw/zinc/73/39/13/421733913.db2.gz UNSCGTXPGICSBO-UHFFFAOYSA-N 1 0 307.394 1.840 20 5 DDBDRO CCc1nn(C)c(NCCCC[NH+]2CCN(C)CC2)c1[N+](=O)[O-] ZINC000557490402 421772756 /nfs/dbraw/zinc/77/27/56/421772756.db2.gz JRASFGHBABRQSY-UHFFFAOYSA-N 1 0 324.429 1.330 20 5 DDBDRO CC[C@H](C)[NH2+][C@@H](CNC(=O)c1c[nH]nc1[N+](=O)[O-])c1ccco1 ZINC000578788958 422650154 /nfs/dbraw/zinc/65/01/54/422650154.db2.gz PHGHCSNBFKAFKK-ONGXEEELSA-N 1 0 321.337 1.770 20 5 DDBDRO NC(=O)c1cccc([N+](=O)[O-])c1N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000579217905 422726704 /nfs/dbraw/zinc/72/67/04/422726704.db2.gz WGTLCBDKIYKLSU-LLVKDONJSA-N 1 0 304.350 1.368 20 5 DDBDRO O=C1CCCN1CC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000579016515 422690736 /nfs/dbraw/zinc/69/07/36/422690736.db2.gz RFBFEHDOOZZUFX-QWHCGFSZSA-N 1 0 321.381 1.487 20 5 DDBDRO CCCC[C@H](C[NH3+])NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000236743971 263557527 /nfs/dbraw/zinc/55/75/27/263557527.db2.gz WUIQEPSTFOPKQR-GFCCVEGCSA-N 1 0 315.395 1.532 20 5 DDBDRO C[C@@H]1CCCN(C(=O)COc2cccc([N+](=O)[O-])c2)[C@H]1C[NH3+] ZINC000237502722 263578612 /nfs/dbraw/zinc/57/86/12/263578612.db2.gz DUEFTCHTZGMPKD-RISCZKNCSA-N 1 0 307.350 1.559 20 5 DDBDRO O=C(/C=C\c1ccccc1[N+](=O)[O-])NCC[NH+]1CCC(O)CC1 ZINC000321496186 271028252 /nfs/dbraw/zinc/02/82/52/271028252.db2.gz YCPAMLSLMCANNE-WAYWQWQTSA-N 1 0 319.361 1.181 20 5 DDBDRO C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000341920271 271248016 /nfs/dbraw/zinc/24/80/16/271248016.db2.gz HYCOTNQHSADIBJ-OLZOCXBDSA-N 1 0 321.377 1.740 20 5 DDBDRO CC[NH+]1C[C@@H](C)N(C(=O)COc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000344431268 272025189 /nfs/dbraw/zinc/02/51/89/272025189.db2.gz SLUFEBUMJSRHHC-CHWSQXEVSA-N 1 0 321.377 1.915 20 5 DDBDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000344645344 272078620 /nfs/dbraw/zinc/07/86/20/272078620.db2.gz PDSUXDYYEZGEBC-LBPRGKRZSA-N 1 0 309.370 1.028 20 5 DDBDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000183639433 274217265 /nfs/dbraw/zinc/21/72/65/274217265.db2.gz AOMBAKRDTOAQHG-NSHDSACASA-N 1 0 307.354 1.986 20 5 DDBDRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000277443163 274605458 /nfs/dbraw/zinc/60/54/58/274605458.db2.gz GYNQOFWQGFXNBY-QPUJVOFHSA-N 1 0 308.294 1.231 20 5 DDBDRO O=[N+]([O-])c1cnc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)nc1 ZINC000274025843 275041227 /nfs/dbraw/zinc/04/12/27/275041227.db2.gz WMZDQTWLXRGZIE-SMDDNHRTSA-N 1 0 303.366 1.838 20 5 DDBDRO CC[C@H](CNS(C)(=O)=O)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296658235 276626860 /nfs/dbraw/zinc/62/68/60/276626860.db2.gz ZNTCVBCUAYVASQ-ZYHUDNBSSA-N 1 0 315.395 1.573 20 5 DDBDRO CN([C@H]1CC[NH2+]C1)S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000178950001 277002254 /nfs/dbraw/zinc/00/22/54/277002254.db2.gz YCNRIJWQQDTRLE-VIFPVBQESA-N 1 0 319.770 1.231 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H]2[NH2+]CCCC2(C)C)n1 ZINC000420235590 277437897 /nfs/dbraw/zinc/43/78/97/277437897.db2.gz CXGKJTHAPAYTPI-LBPRGKRZSA-N 1 0 322.365 1.967 20 5 DDBDRO COCC[C@]1(C(=O)NCc2ccccc2[N+](=O)[O-])CC[NH2+]C1 ZINC000429678398 277556644 /nfs/dbraw/zinc/55/66/44/277556644.db2.gz BRCFHEZMWASJDP-OAHLLOKOSA-N 1 0 307.350 1.227 20 5 DDBDRO C[C@@H]([NH3+])[C@H]1CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000261778991 277601719 /nfs/dbraw/zinc/60/17/19/277601719.db2.gz WSBAVBLLEQVHFI-BDAKNGLRSA-N 1 0 317.342 1.092 20 5 DDBDRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000161976453 277749934 /nfs/dbraw/zinc/74/99/34/277749934.db2.gz UKEKCUATRDDLNV-LBPRGKRZSA-N 1 0 309.366 1.805 20 5 DDBDRO COc1cccc(N2CC[NH+](C[C@@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000185529770 278016132 /nfs/dbraw/zinc/01/61/32/278016132.db2.gz KUMLASYUORDQGJ-ZDUSSCGKSA-N 1 0 321.377 1.762 20 5 DDBDRO C[C@@]1(C[NH3+])CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000261965343 278121639 /nfs/dbraw/zinc/12/16/39/278121639.db2.gz LGCAAEVVAFNRQB-HNNXBMFYSA-N 1 0 321.333 1.177 20 5 DDBDRO C[C@@H](CN1CCOCC1)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293592128 278265232 /nfs/dbraw/zinc/26/52/32/278265232.db2.gz FMOSVVVOJTYZON-RYUDHWBXSA-N 1 0 308.382 1.548 20 5 DDBDRO C[C@@H]([NH3+])[C@H](C)NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000449583037 278315532 /nfs/dbraw/zinc/31/55/32/278315532.db2.gz ADWMTSORKQMELB-ZJUUUORDSA-N 1 0 303.322 1.246 20 5 DDBDRO C[C@H]([NH3+])CCC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000237411999 279395400 /nfs/dbraw/zinc/39/54/00/279395400.db2.gz YVHOFRBGJYEAOF-LBPRGKRZSA-N 1 0 306.366 1.371 20 5 DDBDRO C[C@H]([NH3+])CCNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000178665926 279399692 /nfs/dbraw/zinc/39/96/92/279399692.db2.gz IRABDGWPSXVKCP-JTQLQIEISA-N 1 0 303.322 1.248 20 5 DDBDRO C[NH2+]CCS[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000572154179 304509054 /nfs/dbraw/zinc/50/90/54/304509054.db2.gz FYXPJXFPSPZWPA-VIFPVBQESA-N 1 0 313.379 1.883 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](OC)C[C@@H]1C[NH3+] ZINC000572833904 304558749 /nfs/dbraw/zinc/55/87/49/304558749.db2.gz QLQQEKIMSQQLPW-VXGBXAGGSA-N 1 0 323.349 1.182 20 5 DDBDRO CNc1ccc(C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)cc1[N+](=O)[O-] ZINC000323707575 298261958 /nfs/dbraw/zinc/26/19/58/298261958.db2.gz JYZZKQMROPUFIJ-INIZCTEOSA-N 1 0 318.377 1.804 20 5 DDBDRO C[C@@H]1CC[N@H+](C)CCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000354005080 298337082 /nfs/dbraw/zinc/33/70/82/298337082.db2.gz DWZGMRVZFRCVOQ-SECBINFHSA-N 1 0 310.329 1.482 20 5 DDBDRO C[C@H](CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)C[NH+](C)C ZINC000573431769 304595425 /nfs/dbraw/zinc/59/54/25/304595425.db2.gz KXGWUPXEKNQEGL-SECBINFHSA-N 1 0 309.322 1.251 20 5 DDBDRO C[C@H]1CC(C)(C)C[C@](CO)([NH2+]CCn2ccc([N+](=O)[O-])n2)C1 ZINC000362232923 300033912 /nfs/dbraw/zinc/03/39/12/300033912.db2.gz JGNDJHLPYPTZJM-SWLSCSKDSA-N 1 0 310.398 1.958 20 5 DDBDRO COCCO[C@@H]1COCC[C@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000362507286 300081656 /nfs/dbraw/zinc/08/16/56/300081656.db2.gz DPSHTBXLNPJEAJ-VXGBXAGGSA-N 1 0 316.379 1.566 20 5 DDBDRO CN(C(=O)[C@H]1C[C@@H]1[N+](=O)[O-])C1CC[NH+](Cc2ccccc2)CC1 ZINC000362985817 300194078 /nfs/dbraw/zinc/19/40/78/300194078.db2.gz JVZOOQBEOJIVBQ-HOTGVXAUSA-N 1 0 317.389 1.775 20 5 DDBDRO Cc1c(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cccc1[N+](=O)[O-] ZINC000363689685 300296264 /nfs/dbraw/zinc/29/62/64/300296264.db2.gz GWNPRVCFQTYLCF-CHWSQXEVSA-N 1 0 319.361 1.496 20 5 DDBDRO CC[C@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)C[C@]2(CCOC2)O1 ZINC000369546954 301196554 /nfs/dbraw/zinc/19/65/54/301196554.db2.gz RCXPJEHGLQOKPW-JSGCOSHPSA-N 1 0 310.354 1.061 20 5 DDBDRO O=C(NC1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1)C1CCC1 ZINC000370002629 301255917 /nfs/dbraw/zinc/25/59/17/301255917.db2.gz RAQQGHCKINJKFD-UHFFFAOYSA-N 1 0 321.381 1.172 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1CN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000370047694 301264973 /nfs/dbraw/zinc/26/49/73/301264973.db2.gz ZNLZBOWWGGJMEL-ZDUSSCGKSA-N 1 0 307.398 1.636 20 5 DDBDRO Cc1nc(N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)ccc1[N+](=O)[O-] ZINC000370531120 301358117 /nfs/dbraw/zinc/35/81/17/301358117.db2.gz LTLVIPTULPZNOD-ZIAGYGMSSA-N 1 0 306.366 1.334 20 5 DDBDRO Cc1nn(C)c(C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)c1[N+](=O)[O-] ZINC000374428288 301804216 /nfs/dbraw/zinc/80/42/16/301804216.db2.gz LQBMZOKPOFGTDM-LBPRGKRZSA-N 1 0 321.381 1.241 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H](CO)C[NH+]1CCCCC1 ZINC000294478397 302039710 /nfs/dbraw/zinc/03/97/10/302039710.db2.gz RLPCANNMXXMSMG-ZDUSSCGKSA-N 1 0 321.377 1.480 20 5 DDBDRO Nc1c(C(=O)N2CC[C@@]3(CCC[C@@H]3[NH3+])C2)cccc1[N+](=O)[O-] ZINC000377189250 302153921 /nfs/dbraw/zinc/15/39/21/302153921.db2.gz ORRRCNHBRQOUAP-WFASDCNBSA-N 1 0 304.350 1.521 20 5 DDBDRO C[NH+](C)CCn1nnnc1SCCc1ccc([N+](=O)[O-])cc1 ZINC000412991264 302376826 /nfs/dbraw/zinc/37/68/26/302376826.db2.gz JLUGKBUGQROPTP-UHFFFAOYSA-N 1 0 322.394 1.478 20 5 DDBDRO O=C(N[C@H]1CC[N@@H+](C2CCCCCC2)C1)c1[nH]ncc1[N+](=O)[O-] ZINC000362394291 307020744 /nfs/dbraw/zinc/02/07/44/307020744.db2.gz CDKPKVFWHYTGSH-NSHDSACASA-N 1 0 321.381 1.845 20 5 DDBDRO O=C1OCC[C@@H]1CC[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369004144 307114234 /nfs/dbraw/zinc/11/42/34/307114234.db2.gz YNPZAOVNUMJLEU-NWDGAFQWSA-N 1 0 308.338 1.381 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CCN(c3ccc4ncc([N+](=O)[O-])n4n3)[C@H]2C1 ZINC000378507648 307290531 /nfs/dbraw/zinc/29/05/31/307290531.db2.gz WPDYHAQXBHKEEU-MNOVXSKESA-N 1 0 302.338 1.168 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H](CC[NH3+])C(F)F ZINC000394764913 307295671 /nfs/dbraw/zinc/29/56/71/307295671.db2.gz HYKHMXMTMQZXEP-MRVPVSSYSA-N 1 0 323.321 1.164 20 5 DDBDRO CC(C)[C@@H]([NH3+])CNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000561207810 307923779 /nfs/dbraw/zinc/92/37/79/307923779.db2.gz TWSZDXPIEMFKEC-ZDUSSCGKSA-N 1 0 306.366 1.646 20 5 DDBDRO O=C1NCC[C@H]1CC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000561470249 307926856 /nfs/dbraw/zinc/92/68/56/307926856.db2.gz BFHBYHOCGAJQCI-ZDUSSCGKSA-N 1 0 318.377 1.243 20 5 DDBDRO C[N@H+](C[C@H](O)CNCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CC1 ZINC000566123491 308044749 /nfs/dbraw/zinc/04/47/49/308044749.db2.gz AOVVYQFFGCWJEE-GFCCVEGCSA-N 1 0 319.365 1.016 20 5 DDBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000566795041 308063766 /nfs/dbraw/zinc/06/37/66/308063766.db2.gz IWNPKSOECWDOJY-IUCAKERBSA-N 1 0 320.353 1.396 20 5 DDBDRO Cc1ccc(CC[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000567104428 308071117 /nfs/dbraw/zinc/07/11/17/308071117.db2.gz MUKAHNVSJAGQTJ-OAHLLOKOSA-N 1 0 304.350 1.293 20 5 DDBDRO C[C@@H](NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)[C@H](C)[NH3+] ZINC000567110033 308071939 /nfs/dbraw/zinc/07/19/39/308071939.db2.gz NWJYPVTXGRKQNG-JGVFFNPUSA-N 1 0 304.306 1.314 20 5 DDBDRO C[N@@H+]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1(C)C ZINC000567176324 308074839 /nfs/dbraw/zinc/07/48/39/308074839.db2.gz AZCQIZKGPYUVKF-UHFFFAOYSA-N 1 0 303.366 1.997 20 5 DDBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000567925672 308100125 /nfs/dbraw/zinc/10/01/25/308100125.db2.gz QYNWWXWNKOZGDW-NXEZZACHSA-N 1 0 323.349 1.151 20 5 DDBDRO C/C=C/C[C@H](CO)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000570515885 308171817 /nfs/dbraw/zinc/17/18/17/308171817.db2.gz XKDZOBPCKNROHX-XDYXTIEYSA-N 1 0 310.350 1.251 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@@H]1CCN(C2CC2)C1 ZINC000570837483 308182317 /nfs/dbraw/zinc/18/23/17/308182317.db2.gz RYJUAJANIKBYFD-OCCSQVGLSA-N 1 0 321.377 1.161 20 5 DDBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000573203362 308233670 /nfs/dbraw/zinc/23/36/70/308233670.db2.gz BZOKRYKFOZSCCM-DZGCQCFKSA-N 1 0 305.334 1.089 20 5 DDBDRO CNc1nc(C(=O)N2CCCC[C@@H]2C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000576355492 308309044 /nfs/dbraw/zinc/30/90/44/308309044.db2.gz YMSNZDHNICDVAR-LLVKDONJSA-N 1 0 321.381 1.588 20 5 DDBDRO Cc1cc(S(=O)(=O)N[C@H]2CCC[NH2+]C2)c(C)cc1[N+](=O)[O-] ZINC000576958055 308352644 /nfs/dbraw/zinc/35/26/44/308352644.db2.gz AJPRGWKXMSQZSN-NSHDSACASA-N 1 0 313.379 1.242 20 5 DDBDRO C[C@@H](O)C[C@@H](C)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000576992237 308354843 /nfs/dbraw/zinc/35/48/43/308354843.db2.gz HNBQUBUWMUBQSS-GHMZBOCLSA-N 1 0 316.379 1.118 20 5 DDBDRO CC[C@H]([NH3+])CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000579961778 308570215 /nfs/dbraw/zinc/57/02/15/308570215.db2.gz QPIFJGATCJVKOT-ZDUSSCGKSA-N 1 0 320.393 1.665 20 5 DDBDRO C[C@@H](C[NH3+])N(C)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000383018886 325748995 /nfs/dbraw/zinc/74/89/95/325748995.db2.gz MPPKHYZUFSVMRI-ZETCQYMHSA-N 1 0 316.155 1.777 20 5 DDBDRO O=C(N[C@H]1C[NH+]2CCC1CC2)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC001120690957 782094863 /nfs/dbraw/zinc/09/48/63/782094863.db2.gz JUORJCVUXOHGIK-ZDUSSCGKSA-N 1 0 314.345 1.900 20 5 DDBDRO C[C@H](NC(=O)[C@@H]1C[N@@H+]2CCN1CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000452184214 533711429 /nfs/dbraw/zinc/71/14/29/533711429.db2.gz RFGYLYCKLAEGKR-WFASDCNBSA-N 1 0 318.377 1.162 20 5 DDBDRO CC(C)[C@](C)(C[NH3+])NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000584226574 331870019 /nfs/dbraw/zinc/87/00/19/331870019.db2.gz YBXWPEZARAZREY-AWEZNQCLSA-N 1 0 309.322 1.427 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)[C@@H]1CC[NH2+]C1 ZINC000583381977 332376050 /nfs/dbraw/zinc/37/60/50/332376050.db2.gz ZCNCGUXWYZBKFH-GFCCVEGCSA-N 1 0 322.365 1.226 20 5 DDBDRO CSC[C@H](C)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000583626422 336002576 /nfs/dbraw/zinc/00/25/76/336002576.db2.gz RCHKUGIYGCRNMP-QWRGUYRKSA-N 1 0 300.380 1.676 20 5 DDBDRO COc1ccc(CC(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000583297394 337310424 /nfs/dbraw/zinc/31/04/24/337310424.db2.gz NAOHQUOZQUUEEZ-BETUJISGSA-N 1 0 319.361 1.166 20 5 DDBDRO C[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000348143055 490748823 /nfs/dbraw/zinc/74/88/23/490748823.db2.gz ORWDYHWOTSNVPQ-ZWNOBZJWSA-N 1 0 307.350 1.598 20 5 DDBDRO COC(=O)c1cc(C(=O)NC[C@H](C)C[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000293632937 533735599 /nfs/dbraw/zinc/73/55/99/533735599.db2.gz CVJDIMYFYJXEAO-JTQLQIEISA-N 1 0 323.349 1.309 20 5 DDBDRO COc1cc(C[NH2+]C[C@@]2(O)CCC[C@H]2C)c([N+](=O)[O-])cc1O ZINC000293009841 533883142 /nfs/dbraw/zinc/88/31/42/533883142.db2.gz NVIAFXMYTJEFJR-BMIGLBTASA-N 1 0 310.350 1.950 20 5 DDBDRO C[C@@H]1OCC[C@@]1(C)[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000494204869 534186950 /nfs/dbraw/zinc/18/69/50/534186950.db2.gz MKRLRWMSHVIMRZ-MEDUHNTESA-N 1 0 319.361 1.641 20 5 DDBDRO Cc1nc(N(C)CCC[N@@H+](C)CCN(C)C)ncc1[N+](=O)[O-] ZINC000295697469 534437481 /nfs/dbraw/zinc/43/74/81/534437481.db2.gz PJQRESKUFLZODZ-UHFFFAOYSA-N 1 0 310.402 1.013 20 5 DDBDRO CC(C)(CC[NH3+])NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000422617952 527025349 /nfs/dbraw/zinc/02/53/49/527025349.db2.gz KTFIZNZWSMCNMB-UHFFFAOYSA-N 1 0 320.353 1.398 20 5 DDBDRO CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000422948598 527901915 /nfs/dbraw/zinc/90/19/15/527901915.db2.gz ROVRCLZHNFSMBX-LEWSCRJBSA-N 1 0 307.350 1.539 20 5 DDBDRO CCOC(=O)c1cc(C(=O)N[C@@H](C[NH3+])C2CC2)cc([N+](=O)[O-])c1 ZINC000422857005 528150777 /nfs/dbraw/zinc/15/07/77/528150777.db2.gz GIROPNDIHMGXPZ-ZDUSSCGKSA-N 1 0 321.333 1.239 20 5 DDBDRO CCNC(=O)N1CC[C@H]([NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000294800473 528156172 /nfs/dbraw/zinc/15/61/72/528156172.db2.gz OYRVUESBQJRPDY-PWSUYJOCSA-N 1 0 321.381 1.631 20 5 DDBDRO CCCc1n[nH]c(C(=O)NCC[C@@H]2CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000458170298 528546758 /nfs/dbraw/zinc/54/67/58/528546758.db2.gz OYNHISMMELOEER-NSHDSACASA-N 1 0 323.397 1.732 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCC1([NH3+])CCC1 ZINC000415651619 528613482 /nfs/dbraw/zinc/61/34/82/528613482.db2.gz GUKDKBVXLZYAOF-UHFFFAOYSA-N 1 0 308.338 1.996 20 5 DDBDRO CC1(C)CCC[NH2+][C@H]1C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000422937628 528949843 /nfs/dbraw/zinc/94/98/43/528949843.db2.gz OMPAQGOTYKOYKG-AWEZNQCLSA-N 1 0 320.393 1.901 20 5 DDBDRO CCC[C@@H]([NH2+]C[C@H](O)Cn1ccnn1)c1cccc([N+](=O)[O-])c1 ZINC000414181889 529011944 /nfs/dbraw/zinc/01/19/44/529011944.db2.gz MMSHQBAUZLZFJM-LSDHHAIUSA-N 1 0 319.365 1.678 20 5 DDBDRO CC[NH+]1CCN(C[C@H](C)CNc2ncc([N+](=O)[O-])c(C)n2)CC1 ZINC000294776213 529148641 /nfs/dbraw/zinc/14/86/41/529148641.db2.gz ABILGWYCHUZBHU-GFCCVEGCSA-N 1 0 322.413 1.379 20 5 DDBDRO C[C@H]1C[C@H](Nc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000820668795 599589773 /nfs/dbraw/zinc/58/97/73/599589773.db2.gz WOKYVNOMPPLBJS-GXSJLCMTSA-N 1 0 317.353 1.670 20 5 DDBDRO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1N1CCc2c[nH+]ccc21 ZINC000823629601 606483066 /nfs/dbraw/zinc/48/30/66/606483066.db2.gz BHNHCMTUBYKQPS-UHFFFAOYSA-N 1 0 309.289 1.864 20 5 DDBDRO Cc1cc(OCC(=O)NCC[N@H+]2CCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000797629531 700016898 /nfs/dbraw/zinc/01/68/98/700016898.db2.gz IJFIABWWFUKEQJ-ZDUSSCGKSA-N 1 0 321.377 1.883 20 5 DDBDRO C[NH+](C)CC(C)(C)CNS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000119323529 696679346 /nfs/dbraw/zinc/67/93/46/696679346.db2.gz CXJBPHUTKVXLEF-UHFFFAOYSA-N 1 0 321.424 1.522 20 5 DDBDRO C[NH+](C)C1CCN(S(=O)(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000119520412 696681921 /nfs/dbraw/zinc/68/19/21/696681921.db2.gz NXZRYBXZTBIBKM-UHFFFAOYSA-N 1 0 319.408 1.371 20 5 DDBDRO CC(=O)NC1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000153825054 696922539 /nfs/dbraw/zinc/92/25/39/696922539.db2.gz XQEAVJMHVCAJQN-OAHLLOKOSA-N 1 0 307.350 1.229 20 5 DDBDRO COc1ccc(C(=O)NOC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000773551651 697778844 /nfs/dbraw/zinc/77/88/44/697778844.db2.gz KERHQMDAJFVCPX-UHFFFAOYSA-N 1 0 309.322 1.359 20 5 DDBDRO CCN(CC)C(=O)C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000774141995 697848047 /nfs/dbraw/zinc/84/80/47/697848047.db2.gz WXPDNWQBLLPKEJ-CHWSQXEVSA-N 1 0 323.397 1.733 20 5 DDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@]2(CCO)CCOC2)cc1Cl ZINC000775203762 697971162 /nfs/dbraw/zinc/97/11/62/697971162.db2.gz HRGUFHUEVJXBCX-CYBMUJFWSA-N 1 0 300.742 1.879 20 5 DDBDRO Cc1nn(C[N@H+](C)C[C@H]2CCCOC2)c2ncc([N+](=O)[O-])cc12 ZINC000749951791 700193780 /nfs/dbraw/zinc/19/37/80/700193780.db2.gz CVHUJLKVBKSUPM-GFCCVEGCSA-N 1 0 319.365 1.964 20 5 DDBDRO O=c1cc2c(n[nH]1)CC[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC000775777999 698031522 /nfs/dbraw/zinc/03/15/22/698031522.db2.gz STIZPTWHCBAIMG-CQSZACIVSA-N 1 0 316.317 1.182 20 5 DDBDRO CC[NH+](CC)CCCOC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000800156056 700195145 /nfs/dbraw/zinc/19/51/45/700195145.db2.gz GSVWVIPNNYGFAS-UHFFFAOYSA-N 1 0 311.338 1.032 20 5 DDBDRO NC(=O)C[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000776581531 698120846 /nfs/dbraw/zinc/12/08/46/698120846.db2.gz JRXZQWUDTBNCMZ-AWEZNQCLSA-N 1 0 307.350 1.358 20 5 DDBDRO NC(=O)CC[C@@H]1CCC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776583017 698121403 /nfs/dbraw/zinc/12/14/03/698121403.db2.gz YNVFMJQMUPIYEW-SWLSCSKDSA-N 1 0 321.377 1.606 20 5 DDBDRO CCOCCO[C@H]1CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776592137 698123598 /nfs/dbraw/zinc/12/35/98/698123598.db2.gz YZRRWJVICUUHRF-HOTGVXAUSA-N 1 0 324.377 1.756 20 5 DDBDRO O=C(OCCC[NH+]1CCCC1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000800195413 700201312 /nfs/dbraw/zinc/20/13/12/700201312.db2.gz HEHJGLACDAZZNC-UHFFFAOYSA-N 1 0 322.317 1.966 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCSC[C@@H]2CCO)c1 ZINC000750095183 700203570 /nfs/dbraw/zinc/20/35/70/700203570.db2.gz WHGSUHRSMZVIKW-UONOGXRCSA-N 1 0 312.391 1.428 20 5 DDBDRO C[C@H]([NH2+]CC1CN(S(C)(=O)=O)C1)c1ccccc1[N+](=O)[O-] ZINC000777650087 698212288 /nfs/dbraw/zinc/21/22/88/698212288.db2.gz RBYQMWGCEOOZNP-JTQLQIEISA-N 1 0 313.379 1.137 20 5 DDBDRO O=[N+]([O-])c1ccc(F)cc1CN1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000261985642 698449551 /nfs/dbraw/zinc/44/95/51/698449551.db2.gz AVSYJSYOSOPZQI-CQSZACIVSA-N 1 0 308.357 1.213 20 5 DDBDRO C[C@H](O)C[N@@H+]1CCN(c2nc3ccccn3c2[N+](=O)[O-])[C@@H](C)C1 ZINC000779708789 698455177 /nfs/dbraw/zinc/45/51/77/698455177.db2.gz XYWHYOGIKJSHCV-RYUDHWBXSA-N 1 0 319.365 1.134 20 5 DDBDRO Cc1nn(CN2CCC(O[C@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000779865443 698476525 /nfs/dbraw/zinc/47/65/25/698476525.db2.gz OAWIWVOROAZCNT-ZDUSSCGKSA-N 1 0 310.354 1.327 20 5 DDBDRO C[C@@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@H]1O ZINC000782524606 698734435 /nfs/dbraw/zinc/73/44/35/698734435.db2.gz OMGPJTVWRLUXRF-NOZJJQNGSA-N 1 0 311.313 1.375 20 5 DDBDRO O=[N+]([O-])c1ccn(C2CC[NH+](CCC3OCCCO3)CC2)n1 ZINC000785861574 699106796 /nfs/dbraw/zinc/10/67/96/699106796.db2.gz FZHSOPJJNGHDJM-UHFFFAOYSA-N 1 0 310.354 1.581 20 5 DDBDRO C[C@H](CN1CCOCC1)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000726607226 699370107 /nfs/dbraw/zinc/37/01/07/699370107.db2.gz JPBJQZJRLJRGCW-KXQLTZBTSA-N 1 0 305.378 1.918 20 5 DDBDRO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792865490 699719580 /nfs/dbraw/zinc/71/95/80/699719580.db2.gz CALJQEVQJMMQGM-KOLCDFICSA-N 1 0 322.321 1.589 20 5 DDBDRO COC(=O)C[C@@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000754517795 700507412 /nfs/dbraw/zinc/50/74/12/700507412.db2.gz NHWPIPJNFFUNOW-ZIAGYGMSSA-N 1 0 308.334 1.560 20 5 DDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC[C@H]([NH+](C)C)CC1 ZINC000758209299 700689902 /nfs/dbraw/zinc/68/99/02/700689902.db2.gz YDLIYUMGZQGLSA-LBPRGKRZSA-N 1 0 320.393 1.875 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H](CCO)C2CCOCC2)cc1 ZINC000763903423 700952473 /nfs/dbraw/zinc/95/24/73/700952473.db2.gz RRAZIQLPWVAIGT-HZPDHXFCSA-N 1 0 324.377 1.395 20 5 DDBDRO O=[N+]([O-])c1cccc([N+](=O)[O-])c1N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000804505828 701196809 /nfs/dbraw/zinc/19/68/09/701196809.db2.gz KSBSREKTIGWILQ-NSHDSACASA-N 1 0 304.306 1.954 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](CO)C1CC1 ZINC000771802989 701331512 /nfs/dbraw/zinc/33/15/12/701331512.db2.gz MULMAXVJLPBHHI-ZDUSSCGKSA-N 1 0 323.349 1.293 20 5 DDBDRO Cc1nn(C[N@@H+]2CC[C@H](CC(N)=O)C2)c2ccc([N+](=O)[O-])cc12 ZINC000808228546 701509477 /nfs/dbraw/zinc/50/94/77/701509477.db2.gz UJQJWKNSMJSNOM-LLVKDONJSA-N 1 0 317.349 1.408 20 5 DDBDRO CN(C(=O)Cc1cccc(F)c1[N+](=O)[O-])[C@@H]1CCC[N@H+](C)C1 ZINC000866068640 706609912 /nfs/dbraw/zinc/60/99/12/706609912.db2.gz USDYQXYNGYMQJF-GFCCVEGCSA-N 1 0 309.341 1.829 20 5 DDBDRO CNC(=O)c1ccc(N2CC[N@H+](C)C(C)(C)CC2)c([N+](=O)[O-])c1 ZINC000866113951 706622367 /nfs/dbraw/zinc/62/23/67/706622367.db2.gz FQYCWNMXJYSSBS-UHFFFAOYSA-N 1 0 320.393 1.875 20 5 DDBDRO C[C@H](NC(=O)COc1cccc([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000868009541 701889812 /nfs/dbraw/zinc/88/98/12/701889812.db2.gz FUUFIXUNFZGYLZ-NSHDSACASA-N 1 0 307.350 1.478 20 5 DDBDRO C[C@@H](CCS(C)(=O)=O)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815588846 701900407 /nfs/dbraw/zinc/90/04/07/701900407.db2.gz AKRYVKPSUFBPOM-UWVGGRQHSA-N 1 0 315.395 1.651 20 5 DDBDRO C[C@@]1([NH3+])CCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000868075229 701927492 /nfs/dbraw/zinc/92/74/92/701927492.db2.gz FTOYDXGVNFWLGL-OAHLLOKOSA-N 1 0 302.334 1.499 20 5 DDBDRO C[NH+]1CCC(Nc2ccccc2NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000840315296 702067459 /nfs/dbraw/zinc/06/74/59/702067459.db2.gz WDWXSRAJHZGHMT-IUODEOHRSA-N 1 0 318.377 1.796 20 5 DDBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000816767077 702187328 /nfs/dbraw/zinc/18/73/28/702187328.db2.gz ODLSTOPHTNDASM-NOZJJQNGSA-N 1 0 322.321 1.668 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(c3ccc4ncc([N+](=O)[O-])n4n3)CC[C@H]21 ZINC000866205260 706647965 /nfs/dbraw/zinc/64/79/65/706647965.db2.gz KSZXBAMMVLAMDL-GHMZBOCLSA-N 1 0 302.338 1.168 20 5 DDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCc3nnnn3CC2)cc1Cl ZINC000817419903 702377461 /nfs/dbraw/zinc/37/74/61/702377461.db2.gz ZGULRXPMSQFLHI-SNVBAGLBSA-N 1 0 322.756 1.729 20 5 DDBDRO CC[NH+]1CCN(c2ccc(C(=O)O[C@@H](C)C[N+](=O)[O-])cc2)CC1 ZINC000814042340 702467097 /nfs/dbraw/zinc/46/70/97/702467097.db2.gz WHIWWJRMUNTCDK-ZDUSSCGKSA-N 1 0 321.377 1.651 20 5 DDBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCCOCCO ZINC000866337491 706676344 /nfs/dbraw/zinc/67/63/44/706676344.db2.gz SFBJAHADDSNKHX-LLVKDONJSA-N 1 0 300.330 1.654 20 5 DDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000818000731 702548592 /nfs/dbraw/zinc/54/85/92/702548592.db2.gz UTBRQQOZWKJUEX-ABAIWWIYSA-N 1 0 318.377 1.781 20 5 DDBDRO Cc1cc(Cl)c(S(=O)(=O)N[C@H](C)[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000842881673 702786644 /nfs/dbraw/zinc/78/66/44/702786644.db2.gz LNGTULUUJPQNIK-JGVFFNPUSA-N 1 0 321.786 1.571 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@H](CO)Cc2ccncc2)cc1 ZINC000843111222 702820863 /nfs/dbraw/zinc/82/08/63/702820863.db2.gz RTKQIWVMWOYNCL-HOCLYGCPSA-N 1 0 317.345 1.216 20 5 DDBDRO Cc1cc(Cc2noc(C[C@@H]3C[NH2+]CCO3)n2)ccc1[N+](=O)[O-] ZINC000843192711 702838703 /nfs/dbraw/zinc/83/87/03/702838703.db2.gz XUPOGRIJHTVORF-GFCCVEGCSA-N 1 0 318.333 1.408 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N(C)C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000843310103 702857727 /nfs/dbraw/zinc/85/77/27/702857727.db2.gz VOAJIQYKZOCOPG-UHFFFAOYSA-N 1 0 322.321 1.635 20 5 DDBDRO C[C@H]1C[NH2+]CCN1C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000843323146 702859238 /nfs/dbraw/zinc/85/92/38/702859238.db2.gz LWKOUQMFAXIAPU-QMMMGPOBSA-N 1 0 315.732 1.750 20 5 DDBDRO C[C@@H]([NH3+])[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000843487480 702891516 /nfs/dbraw/zinc/89/15/16/702891516.db2.gz QEPOGUMULCPMGN-MNOVXSKESA-N 1 0 306.366 1.661 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N[C@H](C)C[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000843507791 702896867 /nfs/dbraw/zinc/89/68/67/702896867.db2.gz MMWUAZFQNXBDMJ-HTQZYQBOSA-N 1 0 310.310 1.667 20 5 DDBDRO C[N@@H+]1CC[C@H]2CN(Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)CC[C@H]21 ZINC000879583219 706727646 /nfs/dbraw/zinc/72/76/46/706727646.db2.gz WQDKDLMIMHYUNA-XHDPSFHLSA-N 1 0 315.377 1.997 20 5 DDBDRO COc1cc(Cc2noc(CC[NH2+]C3CC3)n2)ccc1[N+](=O)[O-] ZINC000848624412 703569487 /nfs/dbraw/zinc/56/94/87/703569487.db2.gz SVQHPAMNOZJSRJ-UHFFFAOYSA-N 1 0 318.333 1.872 20 5 DDBDRO COc1cccc([N+](=O)[O-])c1NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000848659581 703572908 /nfs/dbraw/zinc/57/29/08/703572908.db2.gz MPSLQAVJWCFHTJ-NWDGAFQWSA-N 1 0 307.350 1.879 20 5 DDBDRO CN(CCC[NH+]1CCCC1)C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000831722854 706762812 /nfs/dbraw/zinc/76/28/12/706762812.db2.gz HBLUDDTUMRUNNU-OAHLLOKOSA-N 1 0 321.377 1.573 20 5 DDBDRO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@H](O)c3ccccn3)CC2)n1 ZINC000851993137 703899141 /nfs/dbraw/zinc/89/91/41/703899141.db2.gz LUIFMEYWLXUSJD-AWEZNQCLSA-N 1 0 317.349 1.557 20 5 DDBDRO O=C(NCC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000818947957 704032012 /nfs/dbraw/zinc/03/20/12/704032012.db2.gz LUHSFXAOFXCTFQ-ZDUSSCGKSA-N 1 0 319.317 1.241 20 5 DDBDRO O=C1OCCN1[C@@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000852432979 704045797 /nfs/dbraw/zinc/04/57/97/704045797.db2.gz RLOCQGLIALVUOU-CYBMUJFWSA-N 1 0 321.333 1.500 20 5 DDBDRO Cc1noc(CCC[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000819007968 704050999 /nfs/dbraw/zinc/05/09/99/704050999.db2.gz RQDJOSCHJUBWDF-ZDUSSCGKSA-N 1 0 306.322 1.542 20 5 DDBDRO C[C@H]([C@H](C)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)N1CCOCC1 ZINC000819019778 704052768 /nfs/dbraw/zinc/05/27/68/704052768.db2.gz RLNSIENBBYZDPW-ZENOOKHLSA-N 1 0 323.393 1.327 20 5 DDBDRO CCc1cc(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000819054619 704060735 /nfs/dbraw/zinc/06/07/35/704060735.db2.gz QTYXTNLMYZOXNL-CQSZACIVSA-N 1 0 320.349 1.410 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCOc2cccnc2)c1 ZINC000819067597 704064646 /nfs/dbraw/zinc/06/46/46/704064646.db2.gz BCRUUIDGDWIENX-HNNXBMFYSA-N 1 0 303.318 1.692 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H]2CCO[C@]3(CCOC3)C2)c1 ZINC000819203724 704086243 /nfs/dbraw/zinc/08/62/43/704086243.db2.gz LKRUUSTWXFBFRB-NUEKZKHPSA-N 1 0 322.361 1.556 20 5 DDBDRO O=C1C[C@@H](C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CN1C1CC1 ZINC000819217489 704088773 /nfs/dbraw/zinc/08/87/73/704088773.db2.gz BMADLRAAUKBKRM-XHDPSFHLSA-N 1 0 319.361 1.229 20 5 DDBDRO CCO[C@@H]1C[C@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@H]1OC ZINC000819228696 704090736 /nfs/dbraw/zinc/09/07/36/704090736.db2.gz XCNWSGCHXKYCAT-BYNSBNAKSA-N 1 0 310.350 1.410 20 5 DDBDRO Cc1cnc(CC[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)cn1 ZINC000819361636 704112908 /nfs/dbraw/zinc/11/29/08/704112908.db2.gz KAVPCWDUODXMDA-HNNXBMFYSA-N 1 0 302.334 1.559 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NC1CC([NH+](C)C)C1 ZINC000819681449 704158077 /nfs/dbraw/zinc/15/80/77/704158077.db2.gz XSPIVRMGYIKPJB-UHFFFAOYSA-N 1 0 307.350 1.816 20 5 DDBDRO CC(C)[NH+]1CCC(CCNC(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000870959317 704182177 /nfs/dbraw/zinc/18/21/77/704182177.db2.gz CFVKXECWJPSDLH-UHFFFAOYSA-N 1 0 323.397 1.418 20 5 DDBDRO C[N@@H+]1CCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CCC1(C)C ZINC000871153270 704232661 /nfs/dbraw/zinc/23/26/61/704232661.db2.gz JEVIZJXTOZBUTG-UHFFFAOYSA-N 1 0 323.397 1.469 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(C(=O)N[C@H](CO)C[NH+](C)C)cc1Cl ZINC000854467704 704402692 /nfs/dbraw/zinc/40/26/92/704402692.db2.gz JQYGKEGHVBFWRN-VIFPVBQESA-N 1 0 315.757 1.209 20 5 DDBDRO C[C@H](CCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[NH+](C)C ZINC000855411640 704483697 /nfs/dbraw/zinc/48/36/97/704483697.db2.gz QNQZVGIVBYFVAC-SECBINFHSA-N 1 0 310.310 1.573 20 5 DDBDRO CN(C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1)C1CC([NH3+])C1 ZINC000857765681 704622239 /nfs/dbraw/zinc/62/22/39/704622239.db2.gz JOVUASOMZFNFSP-UHFFFAOYSA-N 1 0 315.276 1.515 20 5 DDBDRO C[C@H]([NH2+][C@H]1CCN(C2CCC2)C1=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000858603910 704733676 /nfs/dbraw/zinc/73/36/76/704733676.db2.gz XTJLJHHRFBFHBY-HZMBPMFUSA-N 1 0 318.377 1.981 20 5 DDBDRO [NH3+]CCCCn1cc(-c2nc(-c3ccc([N+](=O)[O-])o3)no2)nn1 ZINC000823269787 705189308 /nfs/dbraw/zinc/18/93/08/705189308.db2.gz KYMPYHAIZRUZBB-UHFFFAOYSA-N 1 0 319.281 1.235 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCC[C@H](n3ccnn3)C2)cc1 ZINC000823468832 705249631 /nfs/dbraw/zinc/24/96/31/705249631.db2.gz LIBKLMXKOFIXLQ-GJZGRUSLSA-N 1 0 317.349 1.557 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@@H](n3ccnn3)C2)c1 ZINC000823469101 705250278 /nfs/dbraw/zinc/25/02/78/705250278.db2.gz OQPLJUWJXPHQFP-HUUCEWRRSA-N 1 0 317.349 1.557 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000824369054 705437851 /nfs/dbraw/zinc/43/78/51/705437851.db2.gz VANYXIZMURAWIG-QWHCGFSZSA-N 1 0 321.381 1.233 20 5 DDBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825615413 705703570 /nfs/dbraw/zinc/70/35/70/705703570.db2.gz VOVQYDSIGGGLGZ-RISCZKNCSA-N 1 0 309.366 1.475 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCCN(C(N)=O)CC1 ZINC000876656505 705805498 /nfs/dbraw/zinc/80/54/98/705805498.db2.gz CDLKPDOTIQHUON-UHFFFAOYSA-N 1 0 306.366 1.798 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(N)c([N+](=O)[O-])c3)CC[C@H]21 ZINC000827371931 705988350 /nfs/dbraw/zinc/98/83/50/705988350.db2.gz BELWJINKVDYOSD-DGCLKSJQSA-N 1 0 304.350 1.343 20 5 DDBDRO Cc1c(CC(=O)N[C@]23CCC[C@@H]2[NH2+]CC3)cccc1[N+](=O)[O-] ZINC000877389488 706092150 /nfs/dbraw/zinc/09/21/50/706092150.db2.gz MNYGZMSOLLDZLM-HOCLYGCPSA-N 1 0 303.362 1.847 20 5 DDBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000877394761 706094042 /nfs/dbraw/zinc/09/40/42/706094042.db2.gz GGXGLZVAZIYASY-GDBMZVCRSA-N 1 0 319.361 1.765 20 5 DDBDRO CN(CC(=O)N[C@]12CCC[C@@H]1[NH2+]CC2)c1ccccc1[N+](=O)[O-] ZINC000877395557 706094619 /nfs/dbraw/zinc/09/46/19/706094619.db2.gz ZOSCNHKFENXIQZ-HOCLYGCPSA-N 1 0 318.377 1.432 20 5 DDBDRO O=C(Cc1cccc(F)c1[N+](=O)[O-])NCCC[NH+]1CCCC1 ZINC000864588043 706204552 /nfs/dbraw/zinc/20/45/52/706204552.db2.gz OVNFGNVGRVPFFY-UHFFFAOYSA-N 1 0 309.341 1.879 20 5 DDBDRO Cn1nnnc1C1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000877781108 706208840 /nfs/dbraw/zinc/20/88/40/706208840.db2.gz QYPHTEUTBOJHRU-UHFFFAOYSA-N 1 0 316.365 1.540 20 5 DDBDRO C[C@H]1C[C@@H](N[C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000877831479 706226898 /nfs/dbraw/zinc/22/68/98/706226898.db2.gz UXWOMRDUAOLYJZ-DDUYRFODSA-N 1 0 323.393 1.061 20 5 DDBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](CCn3cnnn3)CC2)cc1 ZINC000878147689 706306166 /nfs/dbraw/zinc/30/61/66/706306166.db2.gz AMERAQZMKPDAKP-UHFFFAOYSA-N 1 0 318.337 1.125 20 5 DDBDRO COc1ccc(C[NH2+][C@H]2CCN(CC(C)(C)O)C2)cc1[N+](=O)[O-] ZINC000865659729 706489839 /nfs/dbraw/zinc/48/98/39/706489839.db2.gz QRTVZFLOHHIXJY-ZDUSSCGKSA-N 1 0 323.393 1.538 20 5 DDBDRO COC(=O)Cc1ccc(N2CC[N@H+](C)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000865914255 706562861 /nfs/dbraw/zinc/56/28/61/706562861.db2.gz HLVPHKWSLMSRQS-UHFFFAOYSA-N 1 0 321.377 1.841 20 5 DDBDRO COC(=O)[C@]12CCC[C@H]1C[N@H+](Cc1cn(C)nc1[N+](=O)[O-])C2 ZINC000880329003 706941668 /nfs/dbraw/zinc/94/16/68/706941668.db2.gz GTPWYVFHZAJTRP-FZMZJTMJSA-N 1 0 308.338 1.103 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@H]1CCOC[C@@H]1OC ZINC000880426000 706970382 /nfs/dbraw/zinc/97/03/82/706970382.db2.gz RFROUJYYEIGOJR-ZFWWWQNUSA-N 1 0 310.350 1.839 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCC3(CCCCO3)CC2)c1 ZINC000880455445 706980242 /nfs/dbraw/zinc/98/02/42/706980242.db2.gz SORAZYOZDSUPRU-CQSZACIVSA-N 1 0 324.381 1.187 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](O)c3cccc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC000832913229 706997609 /nfs/dbraw/zinc/99/76/09/706997609.db2.gz YFGLIFYVVRURHO-VNHYZAJKSA-N 1 0 319.361 1.038 20 5 DDBDRO O=[N+]([O-])c1cccc(C[N@H+]2C[C@H](O)CC3(CCOCC3)C2)c1 ZINC000880588941 707029591 /nfs/dbraw/zinc/02/95/91/707029591.db2.gz IHZLLMMHDCDIJF-OAHLLOKOSA-N 1 0 306.362 1.958 20 5 DDBDRO Cc1cc(C(=O)N[C@@H](CC[NH3+])C(F)F)c(N)c([N+](=O)[O-])c1 ZINC000834832586 707133180 /nfs/dbraw/zinc/13/31/80/707133180.db2.gz XMDFJVFZPYYXIS-QMMMGPOBSA-N 1 0 302.281 1.198 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2CCCn3nccc32)c1 ZINC000872243129 707345467 /nfs/dbraw/zinc/34/54/67/707345467.db2.gz SRULVIGMQFMBDL-UKRRQHHQSA-N 1 0 302.334 1.949 20 5 DDBDRO CC(=O)c1c([N+](=O)[O-])cccc1N1CCC([NH2+]CCO)CC1 ZINC000882139103 707513628 /nfs/dbraw/zinc/51/36/28/707513628.db2.gz QGGRJQSQWJPHKX-UHFFFAOYSA-N 1 0 307.350 1.348 20 5 DDBDRO O=[N+]([O-])c1ccccc1-c1cnn(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)c1 ZINC000872786757 707601965 /nfs/dbraw/zinc/60/19/65/707601965.db2.gz RRJFGRKRDTUVPX-OKILXGFUSA-N 1 0 314.345 1.994 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)OC[C@@H]1CCCC[N@H+]1C(C)C ZINC000837475165 707658758 /nfs/dbraw/zinc/65/87/58/707658758.db2.gz HFUJIGSGAJZUNG-ZDUSSCGKSA-N 1 0 324.381 1.906 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCCS(C)(=O)=O ZINC000873043525 707706177 /nfs/dbraw/zinc/70/61/77/707706177.db2.gz YBPZYLIUKXTNFL-UHFFFAOYSA-N 1 0 300.380 1.736 20 5 DDBDRO O=[N+]([O-])c1ccc(C[NH2+]CC[C@@H]2CCCS2(=O)=O)c(F)c1 ZINC000883298273 707969254 /nfs/dbraw/zinc/96/92/54/707969254.db2.gz NIPUUEVXAQZLIM-LBPRGKRZSA-N 1 0 316.354 1.791 20 5 DDBDRO O=C(CC[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1)N1CCCC1 ZINC000838901074 707999703 /nfs/dbraw/zinc/99/97/03/707999703.db2.gz NQUGYQYYEVQNML-UHFFFAOYSA-N 1 0 303.362 1.965 20 5 DDBDRO C[C@@H](CNC(=O)NC[C@@H]1CC[N@@H+]1C)c1ccccc1[N+](=O)[O-] ZINC000896619911 708099079 /nfs/dbraw/zinc/09/90/79/708099079.db2.gz OMGMOUBJDIKLFS-RYUDHWBXSA-N 1 0 306.366 1.702 20 5 DDBDRO CC(=O)c1cc(N2CCN(C)CC[N@@H+](C)CC2)ccc1[N+](=O)[O-] ZINC000897094874 708228311 /nfs/dbraw/zinc/22/83/11/708228311.db2.gz OCBQYMDMMYSUOX-UHFFFAOYSA-N 1 0 320.393 1.481 20 5 DDBDRO CN(C)c1cc[nH+]c(CNC(=O)Cc2cccc([N+](=O)[O-])c2)c1 ZINC000927699843 713034667 /nfs/dbraw/zinc/03/46/67/713034667.db2.gz AOJIUVZQLWVCMN-UHFFFAOYSA-N 1 0 314.345 1.915 20 5 DDBDRO COC(=O)COc1ccc(C[NH2+][C@]23C[C@H]2COC3)cc1[N+](=O)[O-] ZINC000886200422 708713543 /nfs/dbraw/zinc/71/35/43/708713543.db2.gz LDCJQUGPGXKDOI-NHYWBVRUSA-N 1 0 322.317 1.025 20 5 DDBDRO C[C@](CO)([NH2+]C[C@@H]1C[C@]12CCOC2)c1cccc([N+](=O)[O-])c1 ZINC000886307017 708739391 /nfs/dbraw/zinc/73/93/91/708739391.db2.gz HZBYSUPPZUVXOC-IMJJTQAJSA-N 1 0 306.362 1.819 20 5 DDBDRO CC(C)c1ccc(C[NH2+]CCN2CCNC2=O)cc1[N+](=O)[O-] ZINC000886324444 708743404 /nfs/dbraw/zinc/74/34/04/708743404.db2.gz RDFOLCVNFOVVMF-UHFFFAOYSA-N 1 0 306.366 1.833 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)c1 ZINC000886572806 708778851 /nfs/dbraw/zinc/77/88/51/708778851.db2.gz BBEOHPVSADQTOP-LNSITVRQSA-N 1 0 320.345 1.584 20 5 DDBDRO C[N@@H+]1C[C@@H]2CN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)C[C@]2(C)C1 ZINC000887933441 709170337 /nfs/dbraw/zinc/17/03/37/709170337.db2.gz RGZRKVDNHGABFY-ABAIWWIYSA-N 1 0 307.325 1.758 20 5 DDBDRO C[C@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000912809655 713098207 /nfs/dbraw/zinc/09/82/07/713098207.db2.gz JVDYPLDOJAOQQZ-GHMZBOCLSA-N 1 0 309.370 1.510 20 5 DDBDRO C[C@@H](NC(=O)C[C@@]1(O)CCC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000900267396 709512610 /nfs/dbraw/zinc/51/26/10/709512610.db2.gz FHEOPOIWAPHJJS-WBMJQRKESA-N 1 0 321.377 1.619 20 5 DDBDRO Cc1cc(C[NH+](C)C)ccc1NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000909599819 709535889 /nfs/dbraw/zinc/53/58/89/709535889.db2.gz CPZBDMNZSCEDNF-UHFFFAOYSA-N 1 0 317.349 1.951 20 5 DDBDRO Cc1ccc(CNC(=O)NC2(C)CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000892536538 710453892 /nfs/dbraw/zinc/45/38/92/710453892.db2.gz GZZICSGRIQFFHO-UHFFFAOYSA-N 1 0 306.366 1.845 20 5 DDBDRO COc1c(O)ccc(C[NH2+][C@@H]2CN(C3CC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000893133767 710559712 /nfs/dbraw/zinc/55/97/12/710559712.db2.gz COJGWQMCISCXIG-GXFFZTMASA-N 1 0 321.377 1.881 20 5 DDBDRO C[N@@H+]1C[C@@H]2CCN(C(=O)NCCc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000893266681 710583033 /nfs/dbraw/zinc/58/30/33/710583033.db2.gz SQKMOQGANXGWNB-DZGCQCFKSA-N 1 0 318.377 1.483 20 5 DDBDRO C[C@@H]1C[N@H+](CCCOC(=O)c2cc([N+](=O)[O-])cn2C)CCO1 ZINC000893390495 710631466 /nfs/dbraw/zinc/63/14/66/710631466.db2.gz GXCKKOTVHSKIJJ-LLVKDONJSA-N 1 0 311.338 1.201 20 5 DDBDRO COc1cc([C@@H](C)[NH2+]C[C@@H]2CN(C)CCN2C)cc([N+](=O)[O-])c1 ZINC000903091852 711029858 /nfs/dbraw/zinc/02/98/58/711029858.db2.gz BMJJVKYGMXKSJU-IUODEOHRSA-N 1 0 322.409 1.500 20 5 DDBDRO Cc1c([C@H](C)[NH2+]C[C@@]2(CO)COCCN2C)cccc1[N+](=O)[O-] ZINC000903281683 711087727 /nfs/dbraw/zinc/08/77/27/711087727.db2.gz QNELQHXXAUFZJM-XJKSGUPXSA-N 1 0 323.393 1.247 20 5 DDBDRO C[NH2+]CCN(CCOc1ccc(OC)cc1[N+](=O)[O-])C(C)C ZINC000903572586 711202893 /nfs/dbraw/zinc/20/28/93/711202893.db2.gz ZACAXRURVRAXHO-UHFFFAOYSA-N 1 0 311.382 1.912 20 5 DDBDRO O=[N+]([O-])c1cccc2c1CCN(C[C@H]1C[C@]3(CC[NH2+]C3)CO1)C2 ZINC000903882373 711315315 /nfs/dbraw/zinc/31/53/15/711315315.db2.gz NCGKOILCVDQXEO-PBHICJAKSA-N 1 0 317.389 1.722 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(c3ccc4nonc4c3[N+](=O)[O-])CC[C@@H]21 ZINC000895021672 711372904 /nfs/dbraw/zinc/37/29/04/711372904.db2.gz HUOXPPDSBAEUGC-KOLCDFICSA-N 1 0 303.322 1.661 20 5 DDBDRO COc1c(O)ccc(C[NH2+]CCO[C@@H]2CC2(F)F)c1[N+](=O)[O-] ZINC000895356903 711492913 /nfs/dbraw/zinc/49/29/13/711492913.db2.gz UFLHHBYLOGEHRN-SNVBAGLBSA-N 1 0 318.276 1.823 20 5 DDBDRO Cn1cc(C[N@@H+]2C[C@@H]3C[C@]3(O)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000895645424 711567867 /nfs/dbraw/zinc/56/78/67/711567867.db2.gz BYDIDGHSTNMBGT-BBRMVZONSA-N 1 0 314.345 1.562 20 5 DDBDRO CCO[C@H](CNc1cc(F)c([N+](=O)[O-])cc1CO)C[NH+](C)C ZINC000896110300 711677536 /nfs/dbraw/zinc/67/75/36/711677536.db2.gz SVTQVERSCLQAIV-LLVKDONJSA-N 1 0 315.345 1.605 20 5 DDBDRO CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000896282430 711700601 /nfs/dbraw/zinc/70/06/01/711700601.db2.gz NLZLSFFHEUXVDV-CQSZACIVSA-N 1 0 321.377 1.963 20 5 DDBDRO O=[N+]([O-])CC[NH2+][C@H]1CCN(c2ccccc2Br)C1 ZINC000905105633 711938142 /nfs/dbraw/zinc/93/81/42/711938142.db2.gz XDSQIECSSZEIRC-JTQLQIEISA-N 1 0 314.183 1.894 20 5 DDBDRO O=[N+]([O-])CC[NH2+]C[C@@H](O)COc1ccccc1Br ZINC000905365640 712016668 /nfs/dbraw/zinc/01/66/68/712016668.db2.gz CKFPDXWUZVPKDK-SECBINFHSA-N 1 0 319.155 1.055 20 5 DDBDRO Cc1ccc(CNC(=O)C[C@@]2(O)CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000913754687 713295780 /nfs/dbraw/zinc/29/57/80/713295780.db2.gz VBTMVXDEMMVSLV-INIZCTEOSA-N 1 0 321.377 1.366 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@@H]2CCC=CCCC2)c1 ZINC000905678949 712116012 /nfs/dbraw/zinc/11/60/12/712116012.db2.gz NPTAHICZIFUGCZ-HIFRSBDPSA-N 1 0 308.382 1.878 20 5 DDBDRO O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc([N+](=O)[O-])o1 ZINC000915625020 713425028 /nfs/dbraw/zinc/42/50/28/713425028.db2.gz GZIWRIBZOPOQBA-GFCCVEGCSA-N 1 0 323.349 1.561 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)[NH2+]CC2(O)CCCCC2)cc1 ZINC000920088569 713650514 /nfs/dbraw/zinc/65/05/14/713650514.db2.gz IBFHCLLUSJYKEU-HUUCEWRRSA-N 1 0 324.377 1.274 20 5 DDBDRO C[C@@H]1CC[C@H](C(N)=O)[C@@H](C)[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000930914220 713957086 /nfs/dbraw/zinc/95/70/86/713957086.db2.gz GWZRQAHPYKHLRD-UPJWGTAASA-N 1 0 321.377 1.948 20 5 DDBDRO C[C@@H]1CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)Cc2c[nH]nc21 ZINC000931459853 714102680 /nfs/dbraw/zinc/10/26/80/714102680.db2.gz BEZZIGKDRYGVHU-YGRLFVJLSA-N 1 0 302.334 1.971 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC[C@@H]1CNC(=O)C1 ZINC000922782268 714146183 /nfs/dbraw/zinc/14/61/83/714146183.db2.gz QSGHECDBTKPLBT-NSHDSACASA-N 1 0 307.350 1.609 20 5 DDBDRO COC1(OC)CC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000931639127 714146451 /nfs/dbraw/zinc/14/64/51/714146451.db2.gz HRXSNKGRYHOMBD-FZMZJTMJSA-N 1 0 310.350 1.712 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000923264705 714289308 /nfs/dbraw/zinc/28/93/08/714289308.db2.gz MFRKESDBCRHWAF-CFVMTHIKSA-N 1 0 319.361 1.323 20 5 DDBDRO O=[N+]([O-])c1ccc(N[C@H]2CCN(CCC[NH2+]C3CC3)C2)nc1 ZINC000923325955 714314525 /nfs/dbraw/zinc/31/45/25/714314525.db2.gz HGGPRHPBYSQTEY-ZDUSSCGKSA-N 1 0 305.382 1.618 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)CN2C[C@H]3CCC[C@@H](C2)[NH2+]3)c1 ZINC000923365522 714329224 /nfs/dbraw/zinc/32/92/24/714329224.db2.gz WQVRZZXOXDHUFC-VNHYZAJKSA-N 1 0 321.377 1.161 20 5 DDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923520651 714388638 /nfs/dbraw/zinc/38/86/38/714388638.db2.gz HENOMAVZWNMDDD-FRRDWIJNSA-N 1 0 318.377 1.463 20 5 DDBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923520848 714388926 /nfs/dbraw/zinc/38/89/26/714388926.db2.gz PVRQTMDCWCDXTC-FRRDWIJNSA-N 1 0 318.377 1.463 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCCC[C@@H]([C@H]3CCOC3)C2)n1 ZINC000934838777 714914308 /nfs/dbraw/zinc/91/43/08/714914308.db2.gz OZFOKYWGXRIRGD-KGLIPLIRSA-N 1 0 308.382 1.930 20 5 DDBDRO C[NH+]1CCC(ONC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC000935842431 715132106 /nfs/dbraw/zinc/13/21/06/715132106.db2.gz RALFZVGMSBQLBQ-LSDHHAIUSA-N 1 0 319.361 1.840 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CCC[C@@H]([NH+](C)C)C2)n1 ZINC000281105191 721899236 /nfs/dbraw/zinc/89/92/36/721899236.db2.gz FSDCEYIMFAJIER-SNVBAGLBSA-N 1 0 308.338 1.307 20 5 DDBDRO O=[N+]([O-])c1cccc(N2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)n1 ZINC001164966171 722069230 /nfs/dbraw/zinc/06/92/30/722069230.db2.gz WOLSHURQEQEZFG-BETUJISGSA-N 1 0 304.350 1.289 20 5 DDBDRO CC1(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccc([N+](=O)[O-])cc4)C[C@H]32)CC1 ZINC001025799448 736859490 /nfs/dbraw/zinc/85/94/90/736859490.db2.gz LCGVNKGNTNZPAF-FICVDOATSA-N 1 0 315.373 1.941 20 5 DDBDRO CN(CC[NH+]1CC2(C1)CCOCC2)c1cc(N)c([N+](=O)[O-])cn1 ZINC001120955100 782256156 /nfs/dbraw/zinc/25/61/56/782256156.db2.gz PQXULRMDXVXCPO-UHFFFAOYSA-N 1 0 321.381 1.121 20 5 DDBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)c1cc[nH]c1 ZINC001022115567 734394989 /nfs/dbraw/zinc/39/49/89/734394989.db2.gz KLIQKBOJCYMAOV-OKILXGFUSA-N 1 0 314.345 1.974 20 5 DDBDRO N=c1cc(C[NH3+])ccn1-c1ncnc2cc(F)c([N+](=O)[O-])cc21 ZINC001167691384 736052869 /nfs/dbraw/zinc/05/28/69/736052869.db2.gz PNDATIUYFRAUTQ-UHFFFAOYSA-N 1 0 314.280 1.406 20 5 DDBDRO CC(C)Cc1ccc(C[NH2+]CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC001126938689 742863352 /nfs/dbraw/zinc/86/33/52/742863352.db2.gz GYTXICPYXKLELM-HZPDHXFCSA-N 1 0 319.405 1.756 20 5 DDBDRO C[C@@H]1[C@H](CO)CC[N@@H+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001193897165 746231022 /nfs/dbraw/zinc/23/10/22/746231022.db2.gz BKEPZGVATJVOPQ-MNOVXSKESA-N 1 0 318.333 1.848 20 5 DDBDRO NS(=O)(=O)C[C@H]1CCCCN1Cc1ccccc1[N+](=O)[O-] ZINC001196973127 747012213 /nfs/dbraw/zinc/01/22/13/747012213.db2.gz OEMQKSISGGRBJD-GFCCVEGCSA-N 1 0 313.379 1.238 20 5 DDBDRO COc1cc(C[NH2+]C[C@H]2CCC[C@H](O)C2)c([N+](=O)[O-])cc1O ZINC001200691769 748320972 /nfs/dbraw/zinc/32/09/72/748320972.db2.gz HEWPVZFYRDEGRN-JQWIXIFHSA-N 1 0 310.350 1.950 20 5 DDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([NH2+]Cc2ccccc2)CC1 ZINC000996428722 749587165 /nfs/dbraw/zinc/58/71/65/749587165.db2.gz GSNZEELMGPMOET-HUUCEWRRSA-N 1 0 303.362 1.432 20 5 DDBDRO C[NH+](C)CCC(=O)NC1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001095445162 749904652 /nfs/dbraw/zinc/90/46/52/749904652.db2.gz CCEWIQZHTVDOKE-UHFFFAOYSA-N 1 0 320.393 1.632 20 5 DDBDRO COC(=O)c1cccc(C(=[NH2+])N[C@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001168985042 762152136 /nfs/dbraw/zinc/15/21/36/762152136.db2.gz CGDBCGJVJKQKPV-MFKMUULPSA-N 1 0 305.334 1.834 20 5 DDBDRO CC(C)NC(=O)N1CCC([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168991550 762165911 /nfs/dbraw/zinc/16/59/11/762165911.db2.gz HISNSTPZWMPBIS-GXTWGEPZSA-N 1 0 312.414 1.604 20 5 DDBDRO CCOC(=O)CN1CCC([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168992964 762166481 /nfs/dbraw/zinc/16/64/81/762166481.db2.gz LWDBXBCEQFGLHQ-OCCSQVGLSA-N 1 0 313.398 1.049 20 5 DDBDRO CCc1nnc2ccc(C[NH2+][C@H]3CC[C@H](C[N+](=O)[O-])C3)cn21 ZINC001168994060 762168055 /nfs/dbraw/zinc/16/80/55/762168055.db2.gz OIMRHECMUMDUQI-AAEUAGOBSA-N 1 0 303.366 1.827 20 5 DDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2cc(OCC3CC3)ncn2)C1 ZINC001168998875 762171040 /nfs/dbraw/zinc/17/10/40/762171040.db2.gz QRRYHXWPWRNLOK-QWHCGFSZSA-N 1 0 306.366 1.800 20 5 DDBDRO CC(=O)N1CCC2(C1)CC[NH+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169010116 762177835 /nfs/dbraw/zinc/17/78/35/762177835.db2.gz BFMORDFQNXKUHC-CABCVRRESA-N 1 0 309.410 1.766 20 5 DDBDRO COC(=O)c1cc(C)nc(-n2c(C)cnc2C[NH3+])c1[N+](=O)[O-] ZINC001169028929 762185742 /nfs/dbraw/zinc/18/57/42/762185742.db2.gz OWHFVLTZXJOZEK-UHFFFAOYSA-N 1 0 305.294 1.038 20 5 DDBDRO COc1ccc(O[C@@H]2CC[N@@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)nc1 ZINC001169054470 762209471 /nfs/dbraw/zinc/20/94/71/762209471.db2.gz MEGADDRCOXJBCA-UMVBOHGHSA-N 1 0 321.377 1.989 20 5 DDBDRO Cc1ccnc(N2CC[NH+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)n1 ZINC001169057117 762211300 /nfs/dbraw/zinc/21/13/00/762211300.db2.gz UYMHUMFZJLGLEG-KGLIPLIRSA-N 1 0 305.382 1.352 20 5 DDBDRO CNc1cc([N+](=O)[O-])cnc1NCc1ncn2c1C[NH2+]CCC2 ZINC001169240336 762304504 /nfs/dbraw/zinc/30/45/04/762304504.db2.gz KHUPSANCXXDMCO-UHFFFAOYSA-N 1 0 317.353 1.333 20 5 DDBDRO C[C@@H]1C[NH2+]CCC[C@@H]1CNc1cc([N+](=O)[O-])cc(Cl)[n+]1[O-] ZINC001155029635 760314433 /nfs/dbraw/zinc/31/44/33/760314433.db2.gz HBLMYMHWGZGJHB-NXEZZACHSA-N 1 0 314.773 1.929 20 5 DDBDRO O=C(NC[C@H]1C[C@H]([NH2+]CC2CC(F)(F)C2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001086363277 761492520 /nfs/dbraw/zinc/49/25/20/761492520.db2.gz LMJRTKWALNSUDE-HJQYOEGKSA-N 1 0 317.336 1.181 20 5 DDBDRO CCOC(=O)c1cc(NC[C@@H]2COCC[NH2+]2)ccc1[N+](=O)[O-] ZINC001170047847 764395118 /nfs/dbraw/zinc/39/51/18/764395118.db2.gz TUQXKVFRPAWXCZ-LLVKDONJSA-N 1 0 309.322 1.172 20 5 DDBDRO COc1ccc(C[C@@H](C)n2nc(CC[NH3+])nc2C)c([N+](=O)[O-])c1 ZINC001170304707 766230338 /nfs/dbraw/zinc/23/03/38/766230338.db2.gz FZQUTUQIAXEETJ-SNVBAGLBSA-N 1 0 319.365 1.808 20 5 DDBDRO COC(=O)[C@@H]1C[C@@H]1C[NH2+][C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170317260 766247316 /nfs/dbraw/zinc/24/73/16/766247316.db2.gz DHSUBZXYWYFOGI-MPKXVKKWSA-N 1 0 322.361 1.933 20 5 DDBDRO Cc1conc1C(=O)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001170317517 766247732 /nfs/dbraw/zinc/24/77/32/766247732.db2.gz BRDAWRHGIXSJKX-UHFFFAOYSA-N 1 0 318.333 1.801 20 5 DDBDRO CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[NH+](CCC(F)(F)F)CC1 ZINC001045437231 766306346 /nfs/dbraw/zinc/30/63/46/766306346.db2.gz JBGLMSLTUQXIDC-NXEZZACHSA-N 1 0 323.315 1.575 20 5 DDBDRO Nc1cc([N+](=O)[O-])cnc1N[C@H]1CC[NH2+]C[C@H]1C(F)(F)F ZINC001160743876 772698813 /nfs/dbraw/zinc/69/88/13/772698813.db2.gz OUXDLZHHZKMOGY-APPZFPTMSA-N 1 0 305.260 1.524 20 5 DDBDRO COc1cnc(N2c3ccccc3OC[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC001171392864 774366132 /nfs/dbraw/zinc/36/61/32/774366132.db2.gz NCHGACIJZIHUNV-JTQLQIEISA-N 1 0 316.317 1.856 20 5 DDBDRO CC[NH+](CC)CC(=O)NCC1(Nc2ncccc2[N+](=O)[O-])CC1 ZINC001110148755 775034886 /nfs/dbraw/zinc/03/48/86/775034886.db2.gz UNIJMLNDQODFKD-UHFFFAOYSA-N 1 0 321.381 1.392 20 5 DDBDRO CCC[N@H+](C)CC(=O)NCCNc1nc(C)ccc1[N+](=O)[O-] ZINC001093788017 775079575 /nfs/dbraw/zinc/07/95/75/775079575.db2.gz SJYWPHJUVMPSJX-UHFFFAOYSA-N 1 0 309.370 1.168 20 5 DDBDRO Cc1cc(NCCNC(=O)CCC[NH+](C)C)ncc1[N+](=O)[O-] ZINC001094094333 775427172 /nfs/dbraw/zinc/42/71/72/775427172.db2.gz PNALZMQUDIPDFX-UHFFFAOYSA-N 1 0 309.370 1.168 20 5 DDBDRO CC[NH+](CC)CC(=O)NCCCNc1ccc([N+](=O)[O-])c(C)n1 ZINC001094441806 775878447 /nfs/dbraw/zinc/87/84/47/775878447.db2.gz CEEACXGKBPSYNB-UHFFFAOYSA-N 1 0 323.397 1.558 20 5 DDBDRO C[NH+](C)CC1(C(=O)NCCCNc2ncccc2[N+](=O)[O-])CC1 ZINC001094736595 776237841 /nfs/dbraw/zinc/23/78/41/776237841.db2.gz LJDYFMQYVCNWHE-UHFFFAOYSA-N 1 0 321.381 1.250 20 5 DDBDRO C[NH+](C)CCC(=O)NCCCNc1cccc(F)c1[N+](=O)[O-] ZINC001094751118 776246308 /nfs/dbraw/zinc/24/63/08/776246308.db2.gz COMQQKCABSXJRQ-UHFFFAOYSA-N 1 0 312.345 1.604 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2C[C@@H]3C[C@H](O)CC[C@@H]3C2)c1 ZINC001171936517 776536958 /nfs/dbraw/zinc/53/69/58/776536958.db2.gz BKJLBXHVRVZDOR-CLWVCHIJSA-N 1 0 306.362 1.721 20 5 DDBDRO O=C1CC[C@@H](C[NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)N1 ZINC001172898197 776913853 /nfs/dbraw/zinc/91/38/53/776913853.db2.gz HOXPPNHTLJUGMO-KBPBESRZSA-N 1 0 303.362 1.710 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@H](CO)[C@H]1CCOC1)CC2 ZINC001172901052 776914847 /nfs/dbraw/zinc/91/48/47/776914847.db2.gz FVYKNQMFYWRFEV-ZMSDIMECSA-N 1 0 320.389 1.829 20 5 DDBDRO CN1CC[C@H]([NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1=O ZINC001172899759 776914878 /nfs/dbraw/zinc/91/48/78/776914878.db2.gz PDIDZFJFOPQTKF-ZFWWWQNUSA-N 1 0 303.362 1.663 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]CCn1cncn1)CC2 ZINC001172901589 776916212 /nfs/dbraw/zinc/91/62/12/776916212.db2.gz OCFLSVXFSCSLPJ-CQSZACIVSA-N 1 0 301.350 1.724 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]CCn1ccnn1)CC2 ZINC001172895903 776928912 /nfs/dbraw/zinc/92/89/12/776928912.db2.gz JFIIZLMIFSYSAB-CQSZACIVSA-N 1 0 301.350 1.724 20 5 DDBDRO Cc1nc(=N)n([C@H](C)Cc2ccc([N+](=O)[O-])cc2)cc1C[NH3+] ZINC001173230687 777064006 /nfs/dbraw/zinc/06/40/06/777064006.db2.gz UIZLCHPBNKJVNC-SNVBAGLBSA-N 1 0 301.350 1.842 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)NC[C@H]2C[NH+]3CCC2CC3)c1[N+](=O)[O-] ZINC001179895371 779521229 /nfs/dbraw/zinc/52/12/29/779521229.db2.gz SQGNUZQKSGBUCZ-NSHDSACASA-N 1 0 321.381 1.513 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001118144245 781040436 /nfs/dbraw/zinc/04/04/36/781040436.db2.gz RUBMOYVBKZALMU-OLZOCXBDSA-N 1 0 307.350 1.737 20 5 DDBDRO C[C@@H](CN1CC[NH2+]CC1)Nc1ccc2c(cccc2[N+](=O)[O-])n1 ZINC001154748689 861421426 /nfs/dbraw/zinc/42/14/26/861421426.db2.gz KFXZAODFEKSJRA-LBPRGKRZSA-N 1 0 315.377 1.849 20 5 DDBDRO [NH3+]Cc1cn(-c2ccc(-c3ccc(F)c([N+](=O)[O-])c3)nn2)cn1 ZINC001154911177 861564256 /nfs/dbraw/zinc/56/42/56/861564256.db2.gz VILNILRJOPBJHE-UHFFFAOYSA-N 1 0 314.280 1.835 20 5 DDBDRO C[NH+](C)C[C@@H]1COCCN1c1cnc2cc([N+](=O)[O-])ccc2n1 ZINC001154966869 861607459 /nfs/dbraw/zinc/60/74/59/861607459.db2.gz DXRSBESCAVBXLZ-GFCCVEGCSA-N 1 0 317.349 1.305 20 5 DDBDRO CC(C)Oc1nc(N2CCOC[C@H]2C[NH+](C)C)ccc1[N+](=O)[O-] ZINC001154983359 861620880 /nfs/dbraw/zinc/62/08/80/861620880.db2.gz AKQUDNBUZUQKAZ-GFCCVEGCSA-N 1 0 324.381 1.544 20 5 DDBDRO O=[N+]([O-])c1cc(NCC[C@@H]2CCOC23C[NH2+]C3)nc2[nH]ccc21 ZINC001155478206 862136435 /nfs/dbraw/zinc/13/64/35/862136435.db2.gz LCVOUJXFUVNTBO-SNVBAGLBSA-N 1 0 317.349 1.652 20 5 DDBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1NC[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001155596782 862275347 /nfs/dbraw/zinc/27/53/47/862275347.db2.gz JCYQGVHNWQJHMT-IUODEOHRSA-N 1 0 322.365 1.107 20 5 DDBDRO C[C@@H]1CN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])[C@H](C)C[NH2+]1 ZINC001121931335 858638437 /nfs/dbraw/zinc/63/84/37/858638437.db2.gz KVMKYGLJOVNOFP-GHMZBOCLSA-N 1 0 309.341 1.875 20 5 DDBDRO [NH3+]C[C@@H]1CC[C@H](NC(=O)CCc2cc(F)ccc2[N+](=O)[O-])C1 ZINC001121945370 858641908 /nfs/dbraw/zinc/64/19/08/858641908.db2.gz WSRLGFZLLZYIOX-MFKMUULPSA-N 1 0 309.341 1.910 20 5 DDBDRO C[C@@H]1C[NH2+]C[C@H]1CNC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC001122144132 858695875 /nfs/dbraw/zinc/69/58/75/858695875.db2.gz SACROIHLKGWIBX-NEPJUHHUSA-N 1 0 306.366 1.003 20 5 DDBDRO O=C(CCc1c(Cl)cccc1[N+](=O)[O-])N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC001122184618 858706547 /nfs/dbraw/zinc/70/65/47/858706547.db2.gz HZWRZGHSLZYOLF-UWVGGRQHSA-N 1 0 309.753 1.754 20 5 DDBDRO [NH3+]C[C@]12CC[C@@H]1CCN2C(=O)COc1ccccc1[N+](=O)[O-] ZINC001122321738 858751484 /nfs/dbraw/zinc/75/14/84/858751484.db2.gz YIBWKHUJBBQBSS-IAQYHMDHSA-N 1 0 305.334 1.313 20 5 DDBDRO C[C@@H](NC(=O)[C@@H]1C[N@@H+]2CCN1C[C@H]2C)c1ccccc1[N+](=O)[O-] ZINC001123975895 859507002 /nfs/dbraw/zinc/50/70/02/859507002.db2.gz GUSQVLAMRAVGBN-JMSVASOKSA-N 1 0 318.377 1.160 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC001124003008 859518812 /nfs/dbraw/zinc/51/88/12/859518812.db2.gz LTZJFFNLQYMPOH-TUKIKUTGSA-N 1 0 303.362 1.973 20 5 DDBDRO O=C(COC1CCCC1)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001124097153 859577317 /nfs/dbraw/zinc/57/73/17/859577317.db2.gz PYSHMFOKFVNYBI-UHFFFAOYSA-N 1 0 321.377 1.760 20 5 DDBDRO Cc1cnn(CC(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)c1 ZINC001124282277 859666570 /nfs/dbraw/zinc/66/65/70/859666570.db2.gz SWVTYGSTTXVLAC-UHFFFAOYSA-N 1 0 317.349 1.006 20 5 DDBDRO CC(C)(C)OC(=O)CCCCOC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001224876923 881570577 /nfs/dbraw/zinc/57/05/77/881570577.db2.gz HJWIMHGBUFXGPG-CYBMUJFWSA-N 1 0 318.434 1.499 20 5 DDBDRO [NH3+][C@]12CCC[C@H]1CN(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C2 ZINC001328588076 863090651 /nfs/dbraw/zinc/09/06/51/863090651.db2.gz FBSLXRDKTBLHFL-HZMBPMFUSA-N 1 0 320.305 1.456 20 5 DDBDRO C[N@@H+]1CCC[C@@H](OCC(=O)OCc2ccc([N+](=O)[O-])cc2)C1 ZINC001224986809 881625209 /nfs/dbraw/zinc/62/52/09/881625209.db2.gz KKFKGSNVSNHFBG-CQSZACIVSA-N 1 0 308.334 1.749 20 5 DDBDRO Cc1nc(C(=O)NCCC[NH2+]Cc2cccc([N+](=O)[O-])c2)co1 ZINC001157018322 863520904 /nfs/dbraw/zinc/52/09/04/863520904.db2.gz MMFGNPOBFGOAJI-UHFFFAOYSA-N 1 0 318.333 1.801 20 5 DDBDRO CN(Cc1cncs1)c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001157093711 863568684 /nfs/dbraw/zinc/56/86/84/863568684.db2.gz XZWFVYBJMARRSC-UHFFFAOYSA-N 1 0 306.351 1.165 20 5 DDBDRO COC(=O)[C@@H](CCC[NH3+])Nc1ncnc2cccc([N+](=O)[O-])c21 ZINC001157121069 863596380 /nfs/dbraw/zinc/59/63/80/863596380.db2.gz QPHXPFCXBVJEMZ-SNVBAGLBSA-N 1 0 319.321 1.230 20 5 DDBDRO CCC[NH+]1C[C@H]2CN(c3ncc([N+](=O)[O-])cc3[N+](=O)[O-])C[C@@H]2C1 ZINC001157691013 864050264 /nfs/dbraw/zinc/05/02/64/864050264.db2.gz NJUMNMCTVBXSDF-QWRGUYRKSA-N 1 0 321.337 1.676 20 5 DDBDRO O=C(NCCC[NH2+]Cc1cc(F)ccc1F)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157761361 864111426 /nfs/dbraw/zinc/11/14/26/864111426.db2.gz PHSPFPWXOBFTBR-DGCLKSJQSA-N 1 0 313.304 1.226 20 5 DDBDRO CN1CCN(C(=[NH2+])Nc2ccc3[nH]cc([N+](=O)[O-])c3n2)CC1 ZINC001157915262 864258567 /nfs/dbraw/zinc/25/85/67/864258567.db2.gz NUMIENJBBUJJSK-UHFFFAOYSA-N 1 0 303.326 1.065 20 5 DDBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC001158180240 864472348 /nfs/dbraw/zinc/47/23/48/864472348.db2.gz XEQXSHZRTRODMH-AOOOYVTPSA-N 1 0 308.338 1.353 20 5 DDBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CCC[C@](C)(C[NH3+])C2)n1 ZINC001158684430 864812234 /nfs/dbraw/zinc/81/22/34/864812234.db2.gz OXKIVADBOSVACL-CQSZACIVSA-N 1 0 322.369 1.217 20 5 DDBDRO CO[C@@H]1CN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C[C@@H]1[NH3+] ZINC001158712422 864841843 /nfs/dbraw/zinc/84/18/43/864841843.db2.gz JVOLXTAHTRZNBA-GXTWGEPZSA-N 1 0 314.345 1.819 20 5 DDBDRO O=[N+]([O-])c1c(Cl)nc(Cl)nc1N1CC[NH2+]C2(CC2)C1 ZINC001158933366 864983019 /nfs/dbraw/zinc/98/30/19/864983019.db2.gz NBOZBDQTLPUXRH-UHFFFAOYSA-N 1 0 304.137 1.634 20 5 DDBDRO CN(C)/C=C/c1cc(N2CC[NH2+]C3(CC3)C2)ncc1[N+](=O)[O-] ZINC001158938322 864985662 /nfs/dbraw/zinc/98/56/62/864985662.db2.gz YTLBBTPEIUJBHW-XVNBXDOJSA-N 1 0 303.366 1.464 20 5 DDBDRO [NH3+]Cc1cc2ccncc2n1-c1cc([N+](=O)[O-])cc(Cl)[n+]1[O-] ZINC001160960314 866223258 /nfs/dbraw/zinc/22/32/58/866223258.db2.gz ZLDHGQPZFVDLOC-UHFFFAOYSA-N 1 0 319.708 1.679 20 5 DDBDRO [NH3+]C1(CC2CCC2)CCN(c2cc([N+](=O)[O-])cc[n+]2[O-])CC1 ZINC001161569383 866773888 /nfs/dbraw/zinc/77/38/88/866773888.db2.gz IWQVFUFEKKWAJY-UHFFFAOYSA-N 1 0 306.366 1.716 20 5 DDBDRO Cc1n[nH]c(C(=O)N2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001333928905 867163818 /nfs/dbraw/zinc/16/38/18/867163818.db2.gz CHOLDMWUMQRXEE-QJPTWQEYSA-N 1 0 321.381 1.429 20 5 DDBDRO CC(C)(C)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC1 ZINC001324256543 867167746 /nfs/dbraw/zinc/16/77/46/867167746.db2.gz CKDFJAOSNZKCGK-UHFFFAOYSA-N 1 0 308.338 1.252 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1N(CC[NH3+])S(C)(=O)=O ZINC001162127544 867272631 /nfs/dbraw/zinc/27/26/31/867272631.db2.gz WMWRXLQGOXQMJG-UHFFFAOYSA-N 1 0 301.368 1.245 20 5 DDBDRO COC(=O)c1cc(C)nc(NC[C@H]2C[NH2+][C@H](C)C2)c1[N+](=O)[O-] ZINC001162557418 867637614 /nfs/dbraw/zinc/63/76/14/867637614.db2.gz FYNHXJKLGDTFDM-PSASIEDQSA-N 1 0 308.338 1.495 20 5 DDBDRO CCO[C@@H]1C[C@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)[C@H]1OC ZINC001334941450 867930444 /nfs/dbraw/zinc/93/04/44/867930444.db2.gz BWHZZQALLCOWDX-RRFJBIMHSA-N 1 0 310.350 1.756 20 5 DDBDRO Cc1ncc([N+](=O)[O-])c(Nc2ccc([C@@H](C[NH3+])CO)cc2)n1 ZINC001163052167 868039290 /nfs/dbraw/zinc/03/92/90/868039290.db2.gz CTXIBXXLSFTVOW-NSHDSACASA-N 1 0 303.322 1.471 20 5 DDBDRO COc1cc([N+](=O)[O-])cnc1NCc1noc2c1C[NH2+]CC2 ZINC001163124373 868127694 /nfs/dbraw/zinc/12/76/94/868127694.db2.gz LYHQXOZPITUCGD-UHFFFAOYSA-N 1 0 305.294 1.244 20 5 DDBDRO O=[N+]([O-])c1ccc2nc(N[C@@H]3C[NH2+][C@@H]4COC[C@H]34)ccc2c1 ZINC001163137391 868147565 /nfs/dbraw/zinc/14/75/65/868147565.db2.gz HOVHNEXHCBYJBM-MRVWCRGKSA-N 1 0 300.318 1.542 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(NC[C@H]2OC[C@H]3C[NH2+]CC[C@H]32)n1 ZINC001163159601 868171361 /nfs/dbraw/zinc/17/13/61/868171361.db2.gz KCVKUKGVZLUORX-CKYFFXLPSA-N 1 0 308.338 1.035 20 5 DDBDRO NC(=O)c1nc(N[C@@H]2C[NH2+]Cc3ccsc32)ccc1[N+](=O)[O-] ZINC001163219778 868225475 /nfs/dbraw/zinc/22/54/75/868225475.db2.gz GJSFKYLUGOFERU-MRVPVSSYSA-N 1 0 319.346 1.407 20 5 DDBDRO O=C1C[C@@H]2[NH2+]CC[C@@]2(Nc2ccc3cc([N+](=O)[O-])ccc3n2)N1 ZINC001163239286 868245556 /nfs/dbraw/zinc/24/55/56/868245556.db2.gz QCTBYJKJMXDMAD-SWLSCSKDSA-N 1 0 313.317 1.133 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1N[C@@]12CC[NH2+][C@H]1CC(=O)N2 ZINC001163246730 868253564 /nfs/dbraw/zinc/25/35/64/868253564.db2.gz BFCMAQIPUGVVPJ-NHYWBVRUSA-N 1 0 304.350 1.510 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CCN1CC=CCC1 ZINC001335379142 868260576 /nfs/dbraw/zinc/26/05/76/868260576.db2.gz ALVDHNFZIVGFCL-AWEZNQCLSA-N 1 0 321.377 1.186 20 5 DDBDRO O=C1C[C@H]2[NH2+]CC[C@@]2(Nc2cc3cccnc3c([N+](=O)[O-])c2)N1 ZINC001163252773 868261121 /nfs/dbraw/zinc/26/11/21/868261121.db2.gz IQKSIYPMIMWCPN-IUODEOHRSA-N 1 0 313.317 1.133 20 5 DDBDRO COc1nc(C)nc(N[C@@H]2CCO[C@@]3(CC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC001163314273 868344382 /nfs/dbraw/zinc/34/43/82/868344382.db2.gz ZHJUZCWUEQHIFJ-YGRLFVJLSA-N 1 0 323.353 1.025 20 5 DDBDRO CCOC(=O)c1ccc(N[C@H]2C[NH2+][C@@H]3CCO[C@@H]32)c([N+](=O)[O-])c1 ZINC001163342870 868375965 /nfs/dbraw/zinc/37/59/65/868375965.db2.gz JLVFMZMUTQJIBX-DYEKYZERSA-N 1 0 321.333 1.313 20 5 DDBDRO C[NH+](C)[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)C1(C)C ZINC001163572505 868542069 /nfs/dbraw/zinc/54/20/69/868542069.db2.gz WBVHIRAYNUAMCP-OLZOCXBDSA-N 1 0 306.366 1.834 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(N[C@H]2CCCC[C@@]23C[NH2+]CCO3)n1 ZINC001163644738 868588934 /nfs/dbraw/zinc/58/89/34/868588934.db2.gz VNLSABRWKIYPJA-SWLSCSKDSA-N 1 0 322.365 1.712 20 5 DDBDRO COc1cccc(CC[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)n1 ZINC001335893280 868602759 /nfs/dbraw/zinc/60/27/59/868602759.db2.gz UJNZKPQFSGRUQU-OAHLLOKOSA-N 1 0 317.345 1.864 20 5 DDBDRO C[NH+](C)[C@H]1C[C@@H](Nc2nccc(C(N)=O)c2[N+](=O)[O-])C12CCC2 ZINC001163721492 868653928 /nfs/dbraw/zinc/65/39/28/868653928.db2.gz KEWWFGVQIKMTTN-MNOVXSKESA-N 1 0 319.365 1.373 20 5 DDBDRO COC(=O)c1ccnc(N2C[C@H](C)CC[C@@H]2C[NH3+])c1[N+](=O)[O-] ZINC001164073533 868925501 /nfs/dbraw/zinc/92/55/01/868925501.db2.gz LUYXYAVVBJYANO-NXEZZACHSA-N 1 0 308.338 1.340 20 5 DDBDRO CCN(CC)C(=O)[C@H](C)Nc1cc2c(cc1[N+](=O)[O-])C[NH2+]C2 ZINC001164622303 869331897 /nfs/dbraw/zinc/33/18/97/869331897.db2.gz FRWDOEVLZCUBRM-JTQLQIEISA-N 1 0 306.366 1.867 20 5 DDBDRO CCOC(=O)c1ccnc(N2CCC[C@H]3[NH2+]C[C@H]32)c1[N+](=O)[O-] ZINC001165393123 869563758 /nfs/dbraw/zinc/56/37/58/869563758.db2.gz FDOCSYLLKYEZID-GHMZBOCLSA-N 1 0 306.322 1.107 20 5 DDBDRO COc1cc([N+](=O)[O-])cnc1N[C@@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC001338083762 869791093 /nfs/dbraw/zinc/79/10/93/869791093.db2.gz JKWFCLSDLNHXRD-JQWIXIFHSA-N 1 0 309.370 1.045 20 5 DDBDRO C[N@@H+]1C[C@@H]2CC[C@H](Nc3ccc4nonc4c3[N+](=O)[O-])[C@H]2C1 ZINC001338298784 869909784 /nfs/dbraw/zinc/90/97/84/869909784.db2.gz WFESJUUPYXEGOR-GUBZILKMSA-N 1 0 303.322 1.883 20 5 DDBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(CCNS(C)(=O)=O)cc1 ZINC001226334822 882363109 /nfs/dbraw/zinc/36/31/09/882363109.db2.gz DMMOUCJPMRPNRV-CYBMUJFWSA-N 1 0 315.459 1.252 20 5 DDBDRO CC(C)[NH+]1CCC(CNc2c(F)c([N+](=O)[O-])cc[n+]2[O-])CC1 ZINC001166594273 870086723 /nfs/dbraw/zinc/08/67/23/870086723.db2.gz OFYNETAUKYLTAL-UHFFFAOYSA-N 1 0 312.345 1.900 20 5 DDBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N2CC[C@@H]([NH3+])C(F)(F)C2)n1 ZINC001166960427 870422079 /nfs/dbraw/zinc/42/20/79/870422079.db2.gz IRGVRPYVIILTNF-ZCFIWIBFSA-N 1 0 307.688 1.519 20 5 DDBDRO CCOC(=O)c1ccnc(N(C)C[C@@H]2CC[NH2+]C2)c1[N+](=O)[O-] ZINC001166961138 870424499 /nfs/dbraw/zinc/42/44/99/870424499.db2.gz VOIHRXBZPIKLEU-SNVBAGLBSA-N 1 0 308.338 1.212 20 5 DDBDRO COc1ccc(C(=O)N[C@@H]2CC[C@H]3C[N@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC001339318230 870444438 /nfs/dbraw/zinc/44/44/38/870444438.db2.gz SPVRSVWKEFGSQB-YNEHKIRRSA-N 1 0 319.361 1.673 20 5 DDBDRO C[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC1CCC(F)(F)CC1 ZINC001317447912 870856227 /nfs/dbraw/zinc/85/62/27/870856227.db2.gz JETBOLONZHRBEX-VXGBXAGGSA-N 1 0 319.352 1.525 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1N1CCC([NH2+]C2CCOCC2)CC1 ZINC001340102999 870894948 /nfs/dbraw/zinc/89/49/48/870894948.db2.gz ZTUAYZUNJXFLIU-UHFFFAOYSA-N 1 0 309.370 1.066 20 5 DDBDRO Nc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1C[C@@H]([NH+]2CCCC2)C1 ZINC001299819441 870940643 /nfs/dbraw/zinc/94/06/43/870940643.db2.gz YDMTXDYTMHGNBL-KLPPZKSPSA-N 1 0 304.350 1.534 20 5 DDBDRO CCC(CC)C[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001205230710 871448920 /nfs/dbraw/zinc/44/89/20/871448920.db2.gz TZDBDLWHBBQMRR-HUUCEWRRSA-N 1 0 311.426 1.916 20 5 DDBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CCC[C@H]([NH2+]CCO)C1 ZINC001341477796 871674085 /nfs/dbraw/zinc/67/40/85/871674085.db2.gz SBVLELWPCLBBQA-PODYEWJSSA-N 1 0 319.361 1.181 20 5 DDBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001341546914 871708523 /nfs/dbraw/zinc/70/85/23/871708523.db2.gz LXSFZGBYVKZRKM-GRYCIOLGSA-N 1 0 305.334 1.373 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC001341659574 871759414 /nfs/dbraw/zinc/75/94/14/871759414.db2.gz NNWHOLTWUKUWCF-UHFFFAOYSA-N 1 0 321.381 1.092 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)NCC[NH+]1CCCC1 ZINC001318520731 872129014 /nfs/dbraw/zinc/12/90/14/872129014.db2.gz BDZVPIKWDXJIIN-UHFFFAOYSA-N 1 0 311.313 1.325 20 5 DDBDRO Cc1cccc(C(=O)N2CCC(OC3C[NH2+]C3)CC2)c1[N+](=O)[O-] ZINC001342490629 872235600 /nfs/dbraw/zinc/23/56/00/872235600.db2.gz LEJGNKKSQBEEKV-UHFFFAOYSA-N 1 0 319.361 1.496 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)NCCN2CC=CC2)cc1[N+](=O)[O-] ZINC001318915631 872344052 /nfs/dbraw/zinc/34/40/52/872344052.db2.gz UHMMEJDIGJKMDO-UHFFFAOYSA-N 1 0 320.305 1.413 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NCC[NH+]1CC=CC1 ZINC001319158269 872469950 /nfs/dbraw/zinc/46/99/50/872469950.db2.gz UNRFUAXJWQDTCJ-UHFFFAOYSA-N 1 0 306.322 1.597 20 5 DDBDRO C[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC001343485356 872644327 /nfs/dbraw/zinc/64/43/27/872644327.db2.gz DAPQYMXOOBAOHM-PZTHBURQSA-N 1 0 303.362 1.955 20 5 DDBDRO C[NH2+]C[C@H](O)CN(C)C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC001344387878 872992448 /nfs/dbraw/zinc/99/24/48/872992448.db2.gz QXDSNFSJMLLQBS-LBPRGKRZSA-N 1 0 323.393 1.545 20 5 DDBDRO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)c3c[nH]nc3[N+](=O)[O-])C[C@H]2C1 ZINC001345234927 873316488 /nfs/dbraw/zinc/31/64/88/873316488.db2.gz NCBVAPRPCBBYLJ-GMTAPVOTSA-N 1 0 307.354 1.120 20 5 DDBDRO CCO[C@@H](CNC(=O)Nc1cc(C)cc([N+](=O)[O-])c1)C[NH+](C)C ZINC001345954689 873570628 /nfs/dbraw/zinc/57/06/28/873570628.db2.gz XRZJFQQGQQBHQS-AWEZNQCLSA-N 1 0 324.381 1.991 20 5 DDBDRO C[NH2+][C@H](C)CCNS(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC001346875300 873921782 /nfs/dbraw/zinc/92/17/82/873921782.db2.gz QNPNLSPLQIZLAT-LLVKDONJSA-N 1 0 315.395 1.488 20 5 DDBDRO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3cc(F)ccc3[N+](=O)[O-])[C@H]2C1 ZINC001347539441 874178614 /nfs/dbraw/zinc/17/86/14/874178614.db2.gz KYJTWLVQHSFMKV-XDTLVQLUSA-N 1 0 307.325 1.804 20 5 DDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C/C=C\C2CC2)cc1 ZINC001348972276 874902261 /nfs/dbraw/zinc/90/22/61/874902261.db2.gz ITADSDSUWLAXLJ-UPHRSURJSA-N 1 0 310.375 1.924 20 5 DDBDRO [NH3+]C[C@@H]1[C@H](C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1(F)F ZINC001349596979 875253102 /nfs/dbraw/zinc/25/31/02/875253102.db2.gz QTIRSQOTPAOBIH-VXGBXAGGSA-N 1 0 311.288 1.320 20 5 DDBDRO C[N@@H+]1CCCC[C@@H]1CNC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC001349853100 875414448 /nfs/dbraw/zinc/41/44/48/875414448.db2.gz RYOREFOJXUUJMS-CYBMUJFWSA-N 1 0 309.341 1.877 20 5 DDBDRO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC001350089626 875531027 /nfs/dbraw/zinc/53/10/27/875531027.db2.gz VSHCNEHRKXSEJC-NWANDNLSSA-N 1 0 303.362 1.594 20 5 DDBDRO COC(=O)c1ccc(OCC[N@H+]2CC[C@@H](OC)C2)c([N+](=O)[O-])c1 ZINC001227297246 882958194 /nfs/dbraw/zinc/95/81/94/882958194.db2.gz BLMSCNPLDIMXFB-GFCCVEGCSA-N 1 0 324.333 1.481 20 5 DDBDRO CC[N@@H+]1CC[C@H](Oc2cc([N+](=O)[O-])sc2C(=O)OC)C1 ZINC001227541853 883070680 /nfs/dbraw/zinc/07/06/80/883070680.db2.gz PPPLISHBSWPJGD-QMMMGPOBSA-N 1 0 300.336 1.916 20 5 DDBDRO Cn1c(C[N+](=O)[O-])nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001355419440 878548952 /nfs/dbraw/zinc/54/89/52/878548952.db2.gz GXGAYBNLNBFNEK-UHFFFAOYSA-N 1 0 308.386 1.047 20 5 DDBDRO C[C@]1(C[NH3+])CCN(C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC001357463650 879979740 /nfs/dbraw/zinc/97/97/40/879979740.db2.gz MQGXUDTWGNZHRX-SQWLQELKSA-N 1 0 303.362 1.896 20 5 DDBDRO C[C@@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)C[C@H]1CC[NH3+] ZINC001358094006 880324876 /nfs/dbraw/zinc/32/48/76/880324876.db2.gz KXCWIOLUVBHCDN-TZMCWYRMSA-N 1 0 305.378 1.971 20 5 DDBDRO COC(=O)c1cc(CO[C@H](C)C[N+](C)(C)C)cc([N+](=O)[O-])c1 ZINC001223692215 881060696 /nfs/dbraw/zinc/06/06/96/881060696.db2.gz ZGUQRHXDDDYUJQ-LLVKDONJSA-N 1 0 311.358 1.993 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ncccc1Br ZINC001227920809 883234586 /nfs/dbraw/zinc/23/45/86/883234586.db2.gz DXGFNLRDDYBZME-SECBINFHSA-N 1 0 318.191 1.207 20 5 DDBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(C(=O)N2CCOCC2)cc1 ZINC001228338836 883453878 /nfs/dbraw/zinc/45/38/78/883453878.db2.gz XFVPDSSSQQWLSM-CQSZACIVSA-N 1 0 307.414 1.633 20 5 DDBDRO CO[C@@H]1CC[N@H+](CCOc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC001229492565 884008832 /nfs/dbraw/zinc/00/88/32/884008832.db2.gz YFRTWXNELOECQO-LLVKDONJSA-N 1 0 307.306 1.836 20 5 DDBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(C(=O)N2CCN(C)CC2)cc1 ZINC001234066532 887611336 /nfs/dbraw/zinc/61/13/36/887611336.db2.gz HPAGHIDUTXEZRW-OAHLLOKOSA-N 1 0 320.457 1.548 20 5 DDBDRO CC(=O)N1CC[C@H](C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001254543689 896496848 /nfs/dbraw/zinc/49/68/48/896496848.db2.gz FWMDNTXLEBQAGI-TZMCWYRMSA-N 1 0 305.378 1.984 20 5 DDBDRO COC(=O)CO[C@H]1CC[N@@H+]([C@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001254571274 896508486 /nfs/dbraw/zinc/50/84/86/896508486.db2.gz RMMZAFRBWLVADD-OCCSQVGLSA-N 1 0 322.361 1.790 20 5 DDBDRO C[N@H+](CCN1CCOCC1)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254599664 896524528 /nfs/dbraw/zinc/52/45/28/896524528.db2.gz OFHWZAYEFUHVMX-MRXNPFEDSA-N 1 0 305.378 1.326 20 5 DDBDRO O=C(N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001262600379 900270046 /nfs/dbraw/zinc/27/00/46/900270046.db2.gz ZOMFUSUINCANIJ-NWANDNLSSA-N 1 0 316.361 1.555 20 5 DDBDRO CCOC(=O)Cc1ccc(N2C[C@@H](C)[NH2+][C@@H](C)C2)c([N+](=O)[O-])c1 ZINC001262702044 900317267 /nfs/dbraw/zinc/31/72/67/900317267.db2.gz GGMFYCCEJPJTLW-TXEJJXNPSA-N 1 0 321.377 1.887 20 5 DDBDRO CC[NH+]1CCN(CCC(=O)Nc2cc(C)cc([N+](=O)[O-])c2)CC1 ZINC001264010867 900870603 /nfs/dbraw/zinc/87/06/03/900870603.db2.gz NJRNUDUVJQDELV-UHFFFAOYSA-N 1 0 320.393 1.869 20 5 DDBDRO Cc1c(C(=O)NCCCC[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000048284774 352533552 /nfs/dbraw/zinc/53/35/52/352533552.db2.gz LPLXRMHADDAUOR-UHFFFAOYSA-N 1 0 321.377 1.745 20 5 DDBDRO COC[C@@H]1CCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000452102745 231301487 /nfs/dbraw/zinc/30/14/87/231301487.db2.gz LCHQKLZGTLFAJK-GFCCVEGCSA-N 1 0 321.377 1.942 20 5 DDBDRO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000278219140 214031501 /nfs/dbraw/zinc/03/15/01/214031501.db2.gz JDYHICWFCBXLAF-SKDRFNHKSA-N 1 0 311.313 1.369 20 5 DDBDRO CC(C)[C@H](C)[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000090015500 185278330 /nfs/dbraw/zinc/27/83/30/185278330.db2.gz AGOAWGZKKZGNBY-NSHDSACASA-N 1 0 315.395 1.507 20 5 DDBDRO C[N@@H+](CCc1ccccc1)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090517853 185299883 /nfs/dbraw/zinc/29/98/83/185299883.db2.gz HYLMZLSMASNSGA-UHFFFAOYSA-N 1 0 301.346 1.931 20 5 DDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)CC[NH3+] ZINC000447244997 529730855 /nfs/dbraw/zinc/73/08/55/529730855.db2.gz DRYQXGROEISFRD-SECBINFHSA-N 1 0 301.368 1.173 20 5 DDBDRO C[S@@](=O)C[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000183120435 199540404 /nfs/dbraw/zinc/54/04/04/199540404.db2.gz LNSJNKFHIIUWMU-MCMMXHMISA-N 1 0 322.390 1.501 20 5 DDBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000418803091 529933727 /nfs/dbraw/zinc/93/37/27/529933727.db2.gz YOWRGFQFXHDLHS-ZIAGYGMSSA-N 1 0 320.393 1.906 20 5 DDBDRO C[C@@H]1CN(C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@@H](C)C[N@@H+]1C ZINC000330860128 232119304 /nfs/dbraw/zinc/11/93/04/232119304.db2.gz VWMOXXFDSLBUBO-RDBSUJKOSA-N 1 0 323.393 1.359 20 5 DDBDRO C[C@@H](NC(=O)Cc1ccccc1[N+](=O)[O-])C1=CC[N@H+](C)CC1 ZINC000272670163 210074601 /nfs/dbraw/zinc/07/46/01/210074601.db2.gz IRMJIGQWFFQMCZ-GFCCVEGCSA-N 1 0 303.362 1.904 20 5 DDBDRO C[C@@H]1COCC[C@H]1[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000277548845 213610515 /nfs/dbraw/zinc/61/05/15/213610515.db2.gz SPCJRWDVDVMZRU-JHJVBQTASA-N 1 0 310.350 1.349 20 5 DDBDRO CC[C@@]1([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCOC1 ZINC000616866186 362853437 /nfs/dbraw/zinc/85/34/37/362853437.db2.gz URWPUUWDORTDAA-UKRRQHHQSA-N 1 0 310.350 1.493 20 5 DDBDRO CC[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])CC(C)(C)O ZINC000181883622 186214875 /nfs/dbraw/zinc/21/48/75/186214875.db2.gz ZDBWIQRTKSHOEF-LBPRGKRZSA-N 1 0 312.366 1.427 20 5 DDBDRO C[C@@H](C[NH3+])N(C)C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000237459333 186293006 /nfs/dbraw/zinc/29/30/06/186293006.db2.gz FQCSTVWHIWOKRS-ZETCQYMHSA-N 1 0 316.155 1.777 20 5 DDBDRO C[C@@H](C[NH3+])N(C)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000237468044 186294290 /nfs/dbraw/zinc/29/42/90/186294290.db2.gz BMYQTLGLZOKYDO-NSHDSACASA-N 1 0 306.366 1.614 20 5 DDBDRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000262860209 186314555 /nfs/dbraw/zinc/31/45/55/186314555.db2.gz UASAKRAJDZKKHN-ZANVPECISA-N 1 0 311.769 1.905 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CCOC2CCCC2)c1 ZINC000564843665 304018668 /nfs/dbraw/zinc/01/86/68/304018668.db2.gz FBGQRWGVLOBGAG-AWEZNQCLSA-N 1 0 324.377 1.883 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)NC2CC[NH+](C3CC3)CC2)n1 ZINC000617399809 363088444 /nfs/dbraw/zinc/08/84/44/363088444.db2.gz SJHSUVGHHHHBEC-UHFFFAOYSA-N 1 0 307.354 1.168 20 5 DDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000052590859 352619771 /nfs/dbraw/zinc/61/97/71/352619771.db2.gz KHUMVAZXWPCPKL-ZDUSSCGKSA-N 1 0 306.366 1.830 20 5 DDBDRO C[N@H+](CCNC(=O)c1cc([N+](=O)[O-])c[nH]1)Cc1ccccc1 ZINC000053349128 352649189 /nfs/dbraw/zinc/64/91/89/352649189.db2.gz ADNPMECTRDTKCL-UHFFFAOYSA-N 1 0 302.334 1.785 20 5 DDBDRO O=[N+]([O-])c1cnccc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC000066809240 353017906 /nfs/dbraw/zinc/01/79/06/353017906.db2.gz HMRWCBONSFWUDE-UHFFFAOYSA-N 1 0 306.366 1.538 20 5 DDBDRO C[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])s1)C1CC1 ZINC000066870877 353020428 /nfs/dbraw/zinc/02/04/28/353020428.db2.gz YBWYQQWBDIJINK-UHFFFAOYSA-N 1 0 305.381 1.029 20 5 DDBDRO C[NH+](C)C(C)(C)CNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000066592888 353007107 /nfs/dbraw/zinc/00/71/07/353007107.db2.gz SKDGIKDBDXYRBR-UHFFFAOYSA-N 1 0 323.349 1.436 20 5 DDBDRO C[C@H](CNC(=O)CCNc1ccccc1[N+](=O)[O-])C[NH+](C)C ZINC000355706932 290977392 /nfs/dbraw/zinc/97/73/92/290977392.db2.gz TVHONTBJZDAGMR-GFCCVEGCSA-N 1 0 308.382 1.711 20 5 DDBDRO C[C@@H]1CCC[N@H+](CCNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000068121573 353090081 /nfs/dbraw/zinc/09/00/81/353090081.db2.gz RLWHLALOPASPPU-SNVBAGLBSA-N 1 0 324.356 1.778 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@H](C)C[NH+](C)C)c1 ZINC000344923002 282871779 /nfs/dbraw/zinc/87/17/79/282871779.db2.gz SVAOQCRMBVKTFZ-SNVBAGLBSA-N 1 0 315.395 1.440 20 5 DDBDRO O=C1C[C@]2(CN1)CCC[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C2 ZINC000072829659 353218837 /nfs/dbraw/zinc/21/88/37/353218837.db2.gz CSMAPWHZDNIVAB-INIZCTEOSA-N 1 0 319.361 1.576 20 5 DDBDRO C[C@@H](O)C[N@@H+]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000174331984 198320961 /nfs/dbraw/zinc/32/09/61/198320961.db2.gz SIZUWVKBBFPGAA-QWHCGFSZSA-N 1 0 321.377 1.051 20 5 DDBDRO Cc1ccc(C[N@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)s1 ZINC000075712777 353377071 /nfs/dbraw/zinc/37/70/71/353377071.db2.gz UXOFPUZTJBCWPH-GFCCVEGCSA-N 1 0 310.379 1.654 20 5 DDBDRO Cc1ccc(NCCCNC(=O)[C@H](C)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000078748301 353530451 /nfs/dbraw/zinc/53/04/51/353530451.db2.gz LWTJROHBKFCCAD-LBPRGKRZSA-N 1 0 308.382 1.772 20 5 DDBDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC1 ZINC000277092509 213287497 /nfs/dbraw/zinc/28/74/97/213287497.db2.gz BOWMVZSQGCKJNI-SNVBAGLBSA-N 1 0 308.338 1.252 20 5 DDBDRO CC(C)[NH+]1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000182206824 199403366 /nfs/dbraw/zinc/40/33/66/199403366.db2.gz QYMVZDBYNQHBEN-CQSZACIVSA-N 1 0 323.393 1.361 20 5 DDBDRO C[NH+](C)CCCNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000082251350 353701153 /nfs/dbraw/zinc/70/11/53/353701153.db2.gz ILDUTCWKLCEQBX-UHFFFAOYSA-N 1 0 320.393 1.877 20 5 DDBDRO COC(=O)CC[N@@H+]1CCN(c2cc(C)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000089265553 353763794 /nfs/dbraw/zinc/76/37/94/353763794.db2.gz ZCFKCKLXUBRKDI-ZDUSSCGKSA-N 1 0 321.377 1.977 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H](C)[C@H](O)C1 ZINC000093344417 353897781 /nfs/dbraw/zinc/89/77/81/353897781.db2.gz LIASSDBOXRMLCT-IAQYHMDHSA-N 1 0 321.377 1.935 20 5 DDBDRO CC[N@@H+]1CCC[C@H](Nc2ccc([N+](=O)[O-])cc2C(=O)NC)C1 ZINC000112076009 353970057 /nfs/dbraw/zinc/97/00/57/353970057.db2.gz FVBVSYNSQNCSJO-NSHDSACASA-N 1 0 306.366 1.851 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@H]([NH3+])C[C@@H]1C ZINC000156122367 354217300 /nfs/dbraw/zinc/21/73/00/354217300.db2.gz KNVCAPGFEFFBOY-QWRGUYRKSA-N 1 0 313.379 1.404 20 5 DDBDRO COc1cc(C[NH2+][C@@H]2CCN(C(C)=O)C2)c([N+](=O)[O-])cc1OC ZINC000152892248 354195527 /nfs/dbraw/zinc/19/55/27/354195527.db2.gz HTIGWKVRLPIZCZ-GFCCVEGCSA-N 1 0 323.349 1.322 20 5 DDBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1CCCN1C ZINC000154562099 354208115 /nfs/dbraw/zinc/20/81/15/354208115.db2.gz ZQUFNEUZKREUNJ-WFASDCNBSA-N 1 0 320.393 1.996 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)C[C@H](O)C1CC1 ZINC000156600886 354220713 /nfs/dbraw/zinc/22/07/13/354220713.db2.gz ZCZYNHCFKYJDMU-HNNXBMFYSA-N 1 0 321.377 1.935 20 5 DDBDRO Cn1cc([C@H](CO)[NH2+]CCCOc2ccc([N+](=O)[O-])cc2)cn1 ZINC000275139596 354411730 /nfs/dbraw/zinc/41/17/30/354411730.db2.gz DLQNAZTWUKRRJW-HNNXBMFYSA-N 1 0 320.349 1.420 20 5 DDBDRO COCC[N@H+](C)C[C@H](O)COc1ccc(F)cc1[N+](=O)[O-] ZINC000314680325 354488135 /nfs/dbraw/zinc/48/81/35/354488135.db2.gz KEDSNWKMENDEPL-NSHDSACASA-N 1 0 302.302 1.052 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]Cc2ccc(F)c(F)c2)c1 ZINC000314981649 354489862 /nfs/dbraw/zinc/48/98/62/354489862.db2.gz PCNMRGNALWIBMF-NSHDSACASA-N 1 0 312.276 1.220 20 5 DDBDRO O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000493407472 234804864 /nfs/dbraw/zinc/80/48/64/234804864.db2.gz ZBLOEFHOHSQGKR-RPWHMATFSA-N 1 0 301.346 1.818 20 5 DDBDRO CNC(=O)C(C)(C)C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000584834476 354778802 /nfs/dbraw/zinc/77/88/02/354778802.db2.gz QETSRNZEFIJGPN-UHFFFAOYSA-N 1 0 322.365 1.285 20 5 DDBDRO CCOc1cc(N2CCO[C@H]3CC[N@H+](C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000585783575 354842141 /nfs/dbraw/zinc/84/21/41/354842141.db2.gz BDAHJNKVCRXLMR-GJZGRUSLSA-N 1 0 321.377 1.903 20 5 DDBDRO CCc1nn(C)c(N(C)C[C@@H]2C[C@H](OC)C[N@@H+]2C)c1[N+](=O)[O-] ZINC000585783566 354842335 /nfs/dbraw/zinc/84/23/35/354842335.db2.gz ZKBDNQWBESZSMG-QWRGUYRKSA-N 1 0 311.386 1.046 20 5 DDBDRO C[N@@H+]1CCC[C@H]2CN(c3cc(N)c([N+](=O)[O-])c(CO)c3)CC[C@H]21 ZINC000588001109 354891703 /nfs/dbraw/zinc/89/17/03/354891703.db2.gz ONQNTEZXBNMFNE-XHDPSFHLSA-N 1 0 320.393 1.590 20 5 DDBDRO CC[N@@H+]1C[C@@H](C)N(c2cc(N)c([N+](=O)[O-])c(CO)c2)C[C@@H]1C ZINC000588009278 354893484 /nfs/dbraw/zinc/89/34/84/354893484.db2.gz DSMJUAXWGLCCQJ-WDEREUQCSA-N 1 0 308.382 1.588 20 5 DDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000588815730 354938525 /nfs/dbraw/zinc/93/85/25/354938525.db2.gz ZWDPNSIBTXZSIH-QWHCGFSZSA-N 1 0 323.397 1.155 20 5 DDBDRO C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)[C@@H]2C1 ZINC000590044701 355043218 /nfs/dbraw/zinc/04/32/18/355043218.db2.gz MFTWICXGYRRWNP-SMDDNHRTSA-N 1 0 314.345 1.852 20 5 DDBDRO O=[N+]([O-])c1cnc2ccc(N3CC[C@H](C[NH+]4CCCC4)C3)nn21 ZINC000590136036 355053011 /nfs/dbraw/zinc/05/30/11/355053011.db2.gz YUBVVERNJYIURE-GFCCVEGCSA-N 1 0 316.365 1.560 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000590541653 355110039 /nfs/dbraw/zinc/11/00/39/355110039.db2.gz JMJKAUAKVJNUTA-CYBMUJFWSA-N 1 0 318.377 1.023 20 5 DDBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CC[C@H](O)[C@H](CO)C2)cc1 ZINC000591054809 355238471 /nfs/dbraw/zinc/23/84/71/355238471.db2.gz DNSXFDCRCPXOCS-WFASDCNBSA-N 1 0 310.350 1.039 20 5 DDBDRO Cc1c(CNC(=O)N[C@@H]2CCC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000591357040 355298687 /nfs/dbraw/zinc/29/86/87/355298687.db2.gz JOGVFHNNRXKPGE-CYBMUJFWSA-N 1 0 306.366 1.845 20 5 DDBDRO C[C@]1(c2ccccc2)C[C@@H]1[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000591744230 355376185 /nfs/dbraw/zinc/37/61/85/355376185.db2.gz GQVWIPRTKIVGGM-HRCADAONSA-N 1 0 316.361 1.472 20 5 DDBDRO CC[C@H]1CN(C(=O)COc2ccccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000592331653 355561233 /nfs/dbraw/zinc/56/12/33/355561233.db2.gz LZYRGCSKUWNKAZ-RYUDHWBXSA-N 1 0 307.350 1.559 20 5 DDBDRO COc1cc(C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)cc([N+](=O)[O-])c1C ZINC000592246040 355547010 /nfs/dbraw/zinc/54/70/10/355547010.db2.gz KXTOYEINQBNUEC-AAEUAGOBSA-N 1 0 319.361 1.736 20 5 DDBDRO Cc1n[nH]c(C(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC000592256115 355548219 /nfs/dbraw/zinc/54/82/19/355548219.db2.gz ZJMFTGMECAGLEG-QWRGUYRKSA-N 1 0 307.354 1.088 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592255462 355548740 /nfs/dbraw/zinc/54/87/40/355548740.db2.gz PSVIPLZWQYLDLQ-VXGBXAGGSA-N 1 0 321.381 1.180 20 5 DDBDRO CC(C)[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)C1(CO)CC=CC1 ZINC000592177287 355526423 /nfs/dbraw/zinc/52/64/23/355526423.db2.gz QVLSQVHOWKVEBS-CQSZACIVSA-N 1 0 308.382 1.734 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CC1(CO)CCC1 ZINC000592430446 355581326 /nfs/dbraw/zinc/58/13/26/355581326.db2.gz PHKSNXAFTNTKRF-LBPRGKRZSA-N 1 0 310.350 1.087 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@@H]1CCCCC[C@H]1O ZINC000592430380 355581460 /nfs/dbraw/zinc/58/14/60/355581460.db2.gz KBNZWOGVNMJCCW-GZBFAFLISA-N 1 0 324.377 1.618 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CC1(CCO)CC1 ZINC000592432275 355581736 /nfs/dbraw/zinc/58/17/36/355581736.db2.gz ABNSVMUGICAYLX-GFCCVEGCSA-N 1 0 310.350 1.087 20 5 DDBDRO C[NH2+]C[C@H]1CCCN1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000592427807 355580500 /nfs/dbraw/zinc/58/05/00/355580500.db2.gz HOCDCZVZKMWUPV-GFCCVEGCSA-N 1 0 307.350 1.550 20 5 DDBDRO [NH3+]Cc1ccc2c(c1)N(CCn1cc([N+](=O)[O-])cn1)CCO2 ZINC000601324903 358497036 /nfs/dbraw/zinc/49/70/36/358497036.db2.gz PWWJAQPYDXBZCD-UHFFFAOYSA-N 1 0 303.322 1.149 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H](CO)C(C)(C)C)c1 ZINC000593027642 355773746 /nfs/dbraw/zinc/77/37/46/355773746.db2.gz UZMQWQAPTBFEBT-ZDUSSCGKSA-N 1 0 310.350 1.878 20 5 DDBDRO CC(C)C[N@H+](C)CCCNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000593205410 355823514 /nfs/dbraw/zinc/82/35/14/355823514.db2.gz YSIWZFMYKZKZEN-UHFFFAOYSA-N 1 0 311.386 1.276 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000593486200 355900482 /nfs/dbraw/zinc/90/04/82/355900482.db2.gz PPHGFPSZQXNYHU-UHFFFAOYSA-N 1 0 306.366 1.113 20 5 DDBDRO COc1ccc(NC(=O)NCCC2(C[NH3+])CC2)cc1[N+](=O)[O-] ZINC000593763401 355989775 /nfs/dbraw/zinc/98/97/75/355989775.db2.gz LMCONZLIEODDMF-UHFFFAOYSA-N 1 0 308.338 1.854 20 5 DDBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1C[C@@H](C(N)=O)C1 ZINC000593670474 355962147 /nfs/dbraw/zinc/96/21/47/355962147.db2.gz RADHKWKUURERCG-JBLDHEPKSA-N 1 0 320.349 1.165 20 5 DDBDRO Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)NCCC[NH3+])c1 ZINC000593900935 356047492 /nfs/dbraw/zinc/04/74/92/356047492.db2.gz YGNFRXVPVULOOV-UHFFFAOYSA-N 1 0 317.349 1.227 20 5 DDBDRO NC(=O)c1cc([N+](=O)[O-])cnc1N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594600568 356261373 /nfs/dbraw/zinc/26/13/73/356261373.db2.gz MFEFLQSWRUFQBP-OLZOCXBDSA-N 1 0 319.365 1.518 20 5 DDBDRO COCC1(C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000594515395 356241452 /nfs/dbraw/zinc/24/14/52/356241452.db2.gz POKATBXUXWHWGX-UHFFFAOYSA-N 1 0 308.334 1.882 20 5 DDBDRO C[C@@H](CCNS(=O)(=O)c1ccc([N+](=O)[O-])s1)[NH+](C)C ZINC000594818696 356326870 /nfs/dbraw/zinc/32/68/70/356326870.db2.gz YHAYEHBXTFFDTD-QMMMGPOBSA-N 1 0 307.397 1.275 20 5 DDBDRO C[C@H](CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000594817530 356327094 /nfs/dbraw/zinc/32/70/94/356327094.db2.gz SEMNCXNMFNIGAM-SNVBAGLBSA-N 1 0 301.368 1.213 20 5 DDBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@]2(OCCO)CCOC2)cc1[N+](=O)[O-] ZINC000595078283 356378869 /nfs/dbraw/zinc/37/88/69/356378869.db2.gz OLYZNZJLIJNNSY-CJNGLKHVSA-N 1 0 324.377 1.722 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000595226697 356411558 /nfs/dbraw/zinc/41/15/58/356411558.db2.gz YZJNHVGGLIGCQM-GXTWGEPZSA-N 1 0 320.393 1.928 20 5 DDBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+]([C@@H]3CCCC[C@H]3O)C2)nc1 ZINC000595376665 356470824 /nfs/dbraw/zinc/47/08/24/356470824.db2.gz RFPNOBNZBJHLPZ-IACUBPJLSA-N 1 0 306.366 1.780 20 5 DDBDRO CC[NH2+]CC1CCN(C(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000237009763 202120322 /nfs/dbraw/zinc/12/03/22/202120322.db2.gz LIELWXCTDUULLH-UHFFFAOYSA-N 1 0 321.377 1.822 20 5 DDBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@H]3C[C@H](O)C34CCC4)nc2c1 ZINC000595785531 356651719 /nfs/dbraw/zinc/65/17/19/356651719.db2.gz XGWLBFASWBKIKX-STQMWFEESA-N 1 0 302.334 1.864 20 5 DDBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@]1(C)CC[NH2+]C1 ZINC000595991842 356738608 /nfs/dbraw/zinc/73/86/08/356738608.db2.gz LYDXHKGLLHAAOY-QMTHXVAHSA-N 1 0 309.391 1.944 20 5 DDBDRO O=[N+]([O-])c1ccc(N[C@@H]2[C@H]3C[NH2+]C[C@H]32)c(F)c1N1CCOCC1 ZINC000596012929 356745893 /nfs/dbraw/zinc/74/58/93/356745893.db2.gz CVVQIEQVSJPCIG-MSRIBSCDSA-N 1 0 322.340 1.200 20 5 DDBDRO CCC[N@@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596090556 356768750 /nfs/dbraw/zinc/76/87/50/356768750.db2.gz YEPQRXPOAGDTCC-LLVKDONJSA-N 1 0 306.366 1.838 20 5 DDBDRO CN(CC(C)(C)C[NH+]1CCOCC1)c1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596171519 356801073 /nfs/dbraw/zinc/80/10/73/356801073.db2.gz DRBYKYBTQFBJHS-UHFFFAOYSA-N 1 0 324.381 1.490 20 5 DDBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596230650 356825303 /nfs/dbraw/zinc/82/53/03/356825303.db2.gz BOFPULDAMFBQOU-SMDDNHRTSA-N 1 0 318.377 1.757 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N[C@@H](CO)C[NH+](C)C ZINC000596245019 356830612 /nfs/dbraw/zinc/83/06/12/356830612.db2.gz VBGLBKYYIRHBTF-SNVBAGLBSA-N 1 0 311.338 1.024 20 5 DDBDRO CN(C(=O)Cc1ccc([N+](=O)[O-])cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000237212127 202190374 /nfs/dbraw/zinc/19/03/74/202190374.db2.gz MZTRWEYPTVXZFE-NNQSOWQGSA-N 1 0 303.362 1.879 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(NCCN(C)CCC[NH+](C)C)c1 ZINC000596425204 356874866 /nfs/dbraw/zinc/87/48/66/356874866.db2.gz QDDGMOHVCGPEPG-UHFFFAOYSA-N 1 0 310.398 1.899 20 5 DDBDRO C[N@@H+]1C[C@@H]2CCCN(c3ccc([N+](=O)[O-])c(C(N)=O)c3)[C@@H]2C1 ZINC000596280994 356843713 /nfs/dbraw/zinc/84/37/13/356843713.db2.gz GWDIGRKYKQKTQO-IINYFYTJSA-N 1 0 304.350 1.224 20 5 DDBDRO O=[N+]([O-])c1cccc(F)c1N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000596539297 356911255 /nfs/dbraw/zinc/91/12/55/356911255.db2.gz OFQBCFZZJYCIJV-GFCCVEGCSA-N 1 0 309.341 1.769 20 5 DDBDRO Cn1ccnc1[C@@H](N[C@H]1CC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000596648342 356940866 /nfs/dbraw/zinc/94/08/66/356940866.db2.gz QGOWJRUUYICXFR-JSGCOSHPSA-N 1 0 301.350 1.369 20 5 DDBDRO C[NH+](C)C1CN(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)C1 ZINC000597100198 357060902 /nfs/dbraw/zinc/06/09/02/357060902.db2.gz GNJAYJXGBNKZGI-UHFFFAOYSA-N 1 0 313.745 1.608 20 5 DDBDRO COC(=O)c1cnc(N2CC[C@H](C[NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000276864651 213141089 /nfs/dbraw/zinc/14/10/89/213141089.db2.gz ZKZMCVLLFPMRFX-SNVBAGLBSA-N 1 0 308.338 1.164 20 5 DDBDRO COc1cc(C(=O)N[C@H]2CCC[C@H]2C[NH3+])c([N+](=O)[O-])cc1OC ZINC000237275101 202212789 /nfs/dbraw/zinc/21/27/89/202212789.db2.gz PFSZLIMWGMKMMP-ONGXEEELSA-N 1 0 323.349 1.469 20 5 DDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N[C@@H]1CC12CC[NH2+]CC2 ZINC000597439959 357176409 /nfs/dbraw/zinc/17/64/09/357176409.db2.gz JQIDWPQBTOBSPB-CQSZACIVSA-N 1 0 318.377 1.579 20 5 DDBDRO C[C@H](CCNC(=O)CCNc1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000598000419 357416567 /nfs/dbraw/zinc/41/65/67/357416567.db2.gz UQTFOLMOVOYPTI-GFCCVEGCSA-N 1 0 308.382 1.853 20 5 DDBDRO O=C(Cn1ccc([N+](=O)[O-])n1)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000598217750 357496516 /nfs/dbraw/zinc/49/65/16/357496516.db2.gz AVWDLINCQGLZPI-LBPRGKRZSA-N 1 0 321.381 1.315 20 5 DDBDRO CC[C@@H]1CN(C(=O)COc2ccc([N+](=O)[O-])c(C)c2)C[C@H](C)[NH2+]1 ZINC000598531067 357622461 /nfs/dbraw/zinc/62/24/61/357622461.db2.gz FPFNQZIAEGLLKM-QWHCGFSZSA-N 1 0 321.377 1.881 20 5 DDBDRO COC(=O)c1ccnc(NC[C@@H]2CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000598594798 357645036 /nfs/dbraw/zinc/64/50/36/357645036.db2.gz CSUMCRDCUQZKIP-JTQLQIEISA-N 1 0 308.338 1.530 20 5 DDBDRO Cc1ccc(S(=O)(=O)N2CC[C@@H](C[NH3+])C2)c(C)c1[N+](=O)[O-] ZINC000598716525 357701778 /nfs/dbraw/zinc/70/17/78/357701778.db2.gz LTEJHIBWEHBMFM-NSHDSACASA-N 1 0 313.379 1.181 20 5 DDBDRO COc1cc(CN2C[C@@H]3CCC[C@@]3([NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000598720714 357703555 /nfs/dbraw/zinc/70/35/55/357703555.db2.gz RKSYDBKDLHQUFX-BLLLJJGKSA-N 1 0 321.377 1.925 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CC[C@H]1CC1(F)F ZINC000598729952 357707059 /nfs/dbraw/zinc/70/70/59/357707059.db2.gz PASXPYCMHQIIRB-WDEREUQCSA-N 1 0 316.304 1.969 20 5 DDBDRO CN1CCOC[C@@H]1C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000599076777 357808383 /nfs/dbraw/zinc/80/83/83/357808383.db2.gz GBEPAPUMBMAZCN-IHRRRGAJSA-N 1 0 323.397 1.195 20 5 DDBDRO Cc1nc(N2CCC([NH+]3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000599107054 357817461 /nfs/dbraw/zinc/81/74/61/357817461.db2.gz XUSPRSMODKVMGN-UHFFFAOYSA-N 1 0 306.366 1.599 20 5 DDBDRO Cc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)cc1[N+](=O)[O-] ZINC000599106159 357817511 /nfs/dbraw/zinc/81/75/11/357817511.db2.gz SVOCSCOQQOOTRA-MNOVXSKESA-N 1 0 313.379 1.322 20 5 DDBDRO CC1([NH+]2CCOCC2)CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000599160272 357833611 /nfs/dbraw/zinc/83/36/11/357833611.db2.gz KYAYOSGOUDXYHS-UHFFFAOYSA-N 1 0 306.366 1.681 20 5 DDBDRO NC(=O)NC(=O)CCC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000179242432 283301713 /nfs/dbraw/zinc/30/17/13/283301713.db2.gz QCEPITNGUMCBDZ-UHFFFAOYSA-N 1 0 320.349 1.534 20 5 DDBDRO COC(=O)C[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)C1CCCCC1 ZINC000347966030 283307983 /nfs/dbraw/zinc/30/79/83/283307983.db2.gz SCFFXODJHSYGAE-ZDUSSCGKSA-N 1 0 324.381 1.893 20 5 DDBDRO C[N@H+](C[C@H]1C[C@@H](O)C1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000599654773 358009830 /nfs/dbraw/zinc/00/98/30/358009830.db2.gz IJQHMVZECFKJPO-GLQYFDAESA-N 1 0 319.361 1.403 20 5 DDBDRO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C[C@H]1C[C@@H](O)C1 ZINC000599670374 358018570 /nfs/dbraw/zinc/01/85/70/358018570.db2.gz FEWCQUFDVCURIT-VDISTLRHSA-N 1 0 307.350 1.626 20 5 DDBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH+](CCO)CCO)o1 ZINC000600179153 358148305 /nfs/dbraw/zinc/14/83/05/358148305.db2.gz KSERZCFLFOBKRS-UHFFFAOYSA-N 1 0 306.318 1.641 20 5 DDBDRO O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)c1ccc([N+](=O)[O-])cn1 ZINC000600473128 358234413 /nfs/dbraw/zinc/23/44/13/358234413.db2.gz RFDADZSXFJXQNO-LBPRGKRZSA-N 1 0 304.350 1.737 20 5 DDBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000237356735 202243017 /nfs/dbraw/zinc/24/30/17/202243017.db2.gz OYVDQCDDHHWCSX-RNCFNFMXSA-N 1 0 309.391 1.929 20 5 DDBDRO Cc1c(C(=O)NCCC[NH+](C)C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000005921458 181296270 /nfs/dbraw/zinc/29/62/70/181296270.db2.gz ZQNFNQHDPBLXAR-UHFFFAOYSA-N 1 0 310.310 1.493 20 5 DDBDRO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NC[C@@H]1CCC[N@@H+]1C ZINC000601109811 358405658 /nfs/dbraw/zinc/40/56/58/358405658.db2.gz ZPXLFDRYGWENPJ-ZETCQYMHSA-N 1 0 307.276 1.853 20 5 DDBDRO COc1ccc(C[NH2+]CC2([S@@](C)=O)CCC2)cc1[N+](=O)[O-] ZINC000280687431 215794035 /nfs/dbraw/zinc/79/40/35/215794035.db2.gz RGNGDYFEFLCBPG-OAQYLSRUSA-N 1 0 312.391 1.994 20 5 DDBDRO COCCN(CC[NH+](C)C)C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601040363 358390383 /nfs/dbraw/zinc/39/03/83/358390383.db2.gz WUZOQAOSQPORAK-UHFFFAOYSA-N 1 0 313.329 1.384 20 5 DDBDRO O=[N+]([O-])c1cc(F)cnc1N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000601103270 358402836 /nfs/dbraw/zinc/40/28/36/358402836.db2.gz SJPJHGGVRWQZOW-CYBMUJFWSA-N 1 0 324.356 1.820 20 5 DDBDRO C[NH+](C)C[C@@](C)(O)CNc1ccnc2ccc([N+](=O)[O-])cc21 ZINC000601134274 358416093 /nfs/dbraw/zinc/41/60/93/358416093.db2.gz DRCGTYFMEYKDKE-HNNXBMFYSA-N 1 0 304.350 1.289 20 5 DDBDRO CCN(CC[NH3+])C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000602535500 359032304 /nfs/dbraw/zinc/03/23/04/359032304.db2.gz OICDVNOTKVDDNJ-UHFFFAOYSA-N 1 0 320.393 1.618 20 5 DDBDRO CN(CCOCC[NH3+])C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000602554281 359042377 /nfs/dbraw/zinc/04/23/77/359042377.db2.gz FFOJXGFQIRBVIT-UHFFFAOYSA-N 1 0 315.757 1.224 20 5 DDBDRO Cn1cc(CN(CC[NH+](C)C)Cc2ccccn2)c([N+](=O)[O-])n1 ZINC000602656724 359105309 /nfs/dbraw/zinc/10/53/09/359105309.db2.gz LTFWUTWTAYEVBB-UHFFFAOYSA-N 1 0 318.381 1.287 20 5 DDBDRO [NH3+][C@@H]1CCCCCN(C(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000602578189 359053093 /nfs/dbraw/zinc/05/30/93/359053093.db2.gz KUEJGJLLBRUBJA-GFCCVEGCSA-N 1 0 307.350 1.704 20 5 DDBDRO CC(C)(C[NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@@]1(O)CCOC1 ZINC000602698764 359133019 /nfs/dbraw/zinc/13/30/19/359133019.db2.gz VNMSVLTYEXZYCS-MRXNPFEDSA-N 1 0 308.378 1.905 20 5 DDBDRO C[C@@]12C[NH+](Cc3ccc([N+](=O)[O-])cc3)C[C@@]1(C)C(=O)NC2=O ZINC000602731568 359153939 /nfs/dbraw/zinc/15/39/39/359153939.db2.gz NHPPDELJUKVNEZ-GJZGRUSLSA-N 1 0 303.318 1.079 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NCC1([NH+](C)C)CC1 ZINC000602760646 359171910 /nfs/dbraw/zinc/17/19/10/359171910.db2.gz ZECIBUPHGJOISR-UHFFFAOYSA-N 1 0 308.338 1.819 20 5 DDBDRO CO[C@H]1c2ccccc2C[C@H]1[NH2+]Cc1cn(C)nc1[N+](=O)[O-] ZINC000602841804 359231627 /nfs/dbraw/zinc/23/16/27/359231627.db2.gz UZZPHBQZDRBXAZ-KGLIPLIRSA-N 1 0 302.334 1.730 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(O)(C(F)F)CC1 ZINC000602811566 359208034 /nfs/dbraw/zinc/20/80/34/359208034.db2.gz MVIVHSUNIPDEDT-UHFFFAOYSA-N 1 0 304.297 1.192 20 5 DDBDRO CCOc1cc(CN2CC[N@H+](C)C[C@@H]2CO)ccc1[N+](=O)[O-] ZINC000602907661 359286098 /nfs/dbraw/zinc/28/60/98/359286098.db2.gz ZSOGSBWINAQYED-CYBMUJFWSA-N 1 0 309.366 1.102 20 5 DDBDRO CCOc1cc(C[N@@H+]2C[C@@H](O)C[C@@]2(C)CO)ccc1[N+](=O)[O-] ZINC000602901553 359283377 /nfs/dbraw/zinc/28/33/77/359283377.db2.gz ZZASTAKXRNCCNN-WFASDCNBSA-N 1 0 310.350 1.311 20 5 DDBDRO O=[N+]([O-])c1cc(F)ccc1Cn1cc([C@@H]2CCC[NH2+]C2)nn1 ZINC000603224302 359496257 /nfs/dbraw/zinc/49/62/57/359496257.db2.gz OSFGMUWJWQAGDC-SNVBAGLBSA-N 1 0 305.313 1.841 20 5 DDBDRO O=[N+]([O-])c1ccc(OCc2cn(CC3CC[NH2+]CC3)nn2)cc1 ZINC000603265158 359525700 /nfs/dbraw/zinc/52/57/00/359525700.db2.gz MMJVRLWNDQLLMB-UHFFFAOYSA-N 1 0 317.349 1.765 20 5 DDBDRO COc1ccc(Cn2cc(C[C@@H]3CC[NH2+]C3)nn2)cc1[N+](=O)[O-] ZINC000603206733 359480839 /nfs/dbraw/zinc/48/08/39/359480839.db2.gz UYWIMYMUEWXQCZ-NSHDSACASA-N 1 0 317.349 1.395 20 5 DDBDRO C[C@@H]1COCC[N@@H+]1C1CCN(c2ncc([N+](=O)[O-])cc2F)CC1 ZINC000603400389 359616361 /nfs/dbraw/zinc/61/63/61/359616361.db2.gz HGRXPNSIOMPJDF-LLVKDONJSA-N 1 0 324.356 1.818 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2C[C@H]([NH+](C)C)C2(C)C)n1 ZINC000603405044 359620633 /nfs/dbraw/zinc/62/06/33/359620633.db2.gz GGNPWHILHRZWIJ-RYUDHWBXSA-N 1 0 322.365 1.917 20 5 DDBDRO CN(CCCC[NH+]1CCCCC1)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000603407564 359621196 /nfs/dbraw/zinc/62/11/96/359621196.db2.gz VSPOXZMCSHAWJF-UHFFFAOYSA-N 1 0 309.370 1.656 20 5 DDBDRO Cn1cc(CN2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)c([N+](=O)[O-])n1 ZINC000603429705 359635491 /nfs/dbraw/zinc/63/54/91/359635491.db2.gz PHURJHUKGGHWEX-ZIAGYGMSSA-N 1 0 323.397 1.047 20 5 DDBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000188280582 200221149 /nfs/dbraw/zinc/22/11/49/200221149.db2.gz PLZOFRMPFUXKBM-YPMHNXCESA-N 1 0 318.377 1.876 20 5 DDBDRO Cc1nn(C)c(C(=O)N2CCC[C@H]([NH2+]C(C)C)C2)c1[N+](=O)[O-] ZINC000611480427 360728270 /nfs/dbraw/zinc/72/82/70/360728270.db2.gz PSJINUXLFWZMHL-NSHDSACASA-N 1 0 309.370 1.239 20 5 DDBDRO CCC[N@H+](C)C[C@@H]1CCN(c2cc(N)c([N+](=O)[O-])c(CO)c2)C1 ZINC000611525673 360747131 /nfs/dbraw/zinc/74/71/31/360747131.db2.gz DFPKHRLMPACTER-LBPRGKRZSA-N 1 0 322.409 1.837 20 5 DDBDRO CC[C@@H]1C[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCCO1 ZINC000281291888 216215804 /nfs/dbraw/zinc/21/58/04/216215804.db2.gz GXTOBPPXXVPZPQ-ZIAGYGMSSA-N 1 0 324.377 1.835 20 5 DDBDRO COC[C@H]1CCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000612086272 360914275 /nfs/dbraw/zinc/91/42/75/360914275.db2.gz LVWZMVSICSKQBS-CHWSQXEVSA-N 1 0 310.350 1.445 20 5 DDBDRO C[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C[C@@H](O)C1CC1 ZINC000612086863 360914899 /nfs/dbraw/zinc/91/48/99/360914899.db2.gz YZYIHLRJYCOCLA-TZMCWYRMSA-N 1 0 310.350 1.037 20 5 DDBDRO C[NH+](C)C1(CNc2cc(N)c([N+](=O)[O-])c(CO)c2)CCOCC1 ZINC000613074947 361258967 /nfs/dbraw/zinc/25/89/67/361258967.db2.gz IQFYTRLOVAFWBN-UHFFFAOYSA-N 1 0 324.381 1.192 20 5 DDBDRO C[NH2+][C@@H]1CCCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000133932260 283654928 /nfs/dbraw/zinc/65/49/28/283654928.db2.gz GFPZJIDWPWSNAK-CQSZACIVSA-N 1 0 320.393 1.997 20 5 DDBDRO [NH3+]CCc1nc(C(=O)N2CCc3c2cccc3[N+](=O)[O-])cs1 ZINC000194806323 201291632 /nfs/dbraw/zinc/29/16/32/201291632.db2.gz WOCDJUOXHKJCSA-UHFFFAOYSA-N 1 0 318.358 1.755 20 5 DDBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195240545 201365299 /nfs/dbraw/zinc/36/52/99/201365299.db2.gz WTORAMKEVVZBNZ-BETUJISGSA-N 1 0 318.377 1.465 20 5 DDBDRO COCC[N@H+](C)CCCNc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000195186905 201355412 /nfs/dbraw/zinc/35/54/12/201355412.db2.gz KHHNZFOPZQGJNC-UHFFFAOYSA-N 1 0 308.382 1.943 20 5 DDBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195326869 201379160 /nfs/dbraw/zinc/37/91/60/201379160.db2.gz UEOCNYZSSCMWGM-CYBMUJFWSA-N 1 0 321.402 1.994 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)NCC23CCC[NH+]2CCC3)c1 ZINC000619574111 364067462 /nfs/dbraw/zinc/06/74/62/364067462.db2.gz QIMBWFCINYIJPS-UHFFFAOYSA-N 1 0 319.361 1.962 20 5 DDBDRO Nc1c(C(=O)NCC23CCC[NH+]2CCC3)cccc1[N+](=O)[O-] ZINC000619573987 364067736 /nfs/dbraw/zinc/06/77/36/364067736.db2.gz IFVSMIONTOWPNV-UHFFFAOYSA-N 1 0 304.350 1.535 20 5 DDBDRO O=C(c1ccc([N+](=O)[O-])o1)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000619871868 364168655 /nfs/dbraw/zinc/16/86/55/364168655.db2.gz BGIMROREBHQDTF-LBPRGKRZSA-N 1 0 323.349 1.515 20 5 DDBDRO C[NH+](C)C1CC(NC(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000619873075 364170489 /nfs/dbraw/zinc/17/04/89/364170489.db2.gz YSBIKFXGHKBTKL-UHFFFAOYSA-N 1 0 306.366 1.606 20 5 DDBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)NCC(F)F)cc1[N+](=O)[O-] ZINC000271821705 209243948 /nfs/dbraw/zinc/24/39/48/209243948.db2.gz UNYFMJIQWOZPSJ-SECBINFHSA-N 1 0 301.293 1.935 20 5 DDBDRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)CCNc3ccccc3[N+](=O)[O-])C[C@H]12 ZINC000248605977 202750831 /nfs/dbraw/zinc/75/08/31/202750831.db2.gz JYABGXHQPBDKPN-RWMBFGLXSA-N 1 0 318.377 1.593 20 5 DDBDRO C[C@H](c1ccncc1)[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000091990463 193138794 /nfs/dbraw/zinc/13/87/94/193138794.db2.gz HVYPQZMUUUXEHI-GFCCVEGCSA-N 1 0 302.334 1.845 20 5 DDBDRO O=C(N[C@@H]1CCC[NH2+]C1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000422737658 284027888 /nfs/dbraw/zinc/02/78/88/284027888.db2.gz XQBUGYMLZNTCMI-SNVBAGLBSA-N 1 0 300.318 1.625 20 5 DDBDRO CC[NH2+]CC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000261988324 203168617 /nfs/dbraw/zinc/16/86/17/203168617.db2.gz KUENOKRZRWLYLQ-UHFFFAOYSA-N 1 0 306.366 1.639 20 5 DDBDRO C[C@@H]1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000261927628 203153786 /nfs/dbraw/zinc/15/37/86/203153786.db2.gz ZOJLNLVZNPHYEI-CHWSQXEVSA-N 1 0 320.393 1.983 20 5 DDBDRO CCCc1n[nH]c(C(=O)NCC[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000264682316 204076025 /nfs/dbraw/zinc/07/60/25/204076025.db2.gz PQEXSPRPBQARRV-UHFFFAOYSA-N 1 0 309.370 1.486 20 5 DDBDRO C[C@H](Cn1cccn1)[NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000264887428 204240447 /nfs/dbraw/zinc/24/04/47/204240447.db2.gz SKAVQUWZVZPWHH-VXGBXAGGSA-N 1 0 317.349 1.797 20 5 DDBDRO COC[C@](C)([NH3+])CNc1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-] ZINC000265001944 204335441 /nfs/dbraw/zinc/33/54/41/204335441.db2.gz FHUHRGCPQAYBKD-KEDPEKRHSA-N 1 0 323.349 1.557 20 5 DDBDRO C[N@@H+]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)[C@@H](c2ccccc2)C1 ZINC000351486888 284337259 /nfs/dbraw/zinc/33/72/59/284337259.db2.gz YJPGXAFELDWRIB-OCCSQVGLSA-N 1 0 314.345 1.751 20 5 DDBDRO CC[N@@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000282747778 217222761 /nfs/dbraw/zinc/22/27/61/217222761.db2.gz BTUQGLAJMYNEDE-SECBINFHSA-N 1 0 310.329 1.388 20 5 DDBDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000266320089 205264876 /nfs/dbraw/zinc/26/48/76/205264876.db2.gz RVGDKYMPBQVQQS-WOPDTQHZSA-N 1 0 307.350 1.936 20 5 DDBDRO [NH3+]CCCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000160114293 197387364 /nfs/dbraw/zinc/38/73/64/197387364.db2.gz VGVIMKQHMUMJQY-UHFFFAOYSA-N 1 0 306.366 1.664 20 5 DDBDRO C[NH2+]CCCNC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000121092961 248269425 /nfs/dbraw/zinc/26/94/25/248269425.db2.gz RKUDESTZMPDYIZ-UHFFFAOYSA-N 1 0 313.379 1.665 20 5 DDBDRO CN(CC[N@H+](C)CCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000174853150 248384494 /nfs/dbraw/zinc/38/44/94/248384494.db2.gz JTOKOZHUGMJJJR-UHFFFAOYSA-N 1 0 303.366 1.860 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H](O)C1 ZINC000041886295 183223393 /nfs/dbraw/zinc/22/33/93/183223393.db2.gz ASFZPMFNPXFVGB-GFCCVEGCSA-N 1 0 323.349 1.389 20 5 DDBDRO CC[NH+]1CCN(CCNC(=O)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000042590525 183288505 /nfs/dbraw/zinc/28/85/05/183288505.db2.gz FXTBUQVFWZXZMY-UHFFFAOYSA-N 1 0 320.393 1.271 20 5 DDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N[C@H](CO)C[NH+]1CCCCC1 ZINC000288586683 220263208 /nfs/dbraw/zinc/26/32/08/220263208.db2.gz SAUZCLRRRAIMAF-AWEZNQCLSA-N 1 0 321.377 1.100 20 5 DDBDRO C[N@@H+]1CC[C@@H](CNC(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000109849736 194293724 /nfs/dbraw/zinc/29/37/24/194293724.db2.gz CPEZCJMJBWHLBX-LBPRGKRZSA-N 1 0 306.366 1.465 20 5 DDBDRO Cc1c(C(=O)NC[C@@H]2CC[N@@H+](C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000110651845 194346475 /nfs/dbraw/zinc/34/64/75/194346475.db2.gz AXOBJQPQBUUAFI-JTQLQIEISA-N 1 0 322.321 1.493 20 5 DDBDRO O=[N+]([O-])c1cccc(S(=O)(=O)NCC[C@H]2CCC[NH2+]C2)c1 ZINC000110792816 194359448 /nfs/dbraw/zinc/35/94/48/194359448.db2.gz CVDRCHCDOAJLHH-LLVKDONJSA-N 1 0 313.379 1.263 20 5 DDBDRO CC[N@@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000110815856 194361464 /nfs/dbraw/zinc/36/14/64/194361464.db2.gz WIIIAVBFBOWFRX-UHFFFAOYSA-N 1 0 322.321 1.671 20 5 DDBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)NC(=O)NC1CC1 ZINC000056196676 184006945 /nfs/dbraw/zinc/00/69/45/184006945.db2.gz GCYYIFNOMLEBKH-VHSXEESVSA-N 1 0 320.349 1.622 20 5 DDBDRO Cc1cc(NC[C@H](O)[C@@H]2CCOC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000340780846 251208716 /nfs/dbraw/zinc/20/87/16/251208716.db2.gz QGBXFZBCISOBRY-BZNIZROVSA-N 1 0 317.345 1.683 20 5 DDBDRO CN(C(=O)C[NH2+][C@@H](CO)C(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000359787103 299538480 /nfs/dbraw/zinc/53/84/80/299538480.db2.gz COZSFCRNZFWXSK-ZDUSSCGKSA-N 1 0 309.366 1.554 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1NCC[N@@H+]1CCCOCC1)CCN2 ZINC000278294436 285146780 /nfs/dbraw/zinc/14/67/80/285146780.db2.gz GHWRWHOSKSVACM-UHFFFAOYSA-N 1 0 306.366 1.697 20 5 DDBDRO O=C(COc1cccc([N+](=O)[O-])c1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000158396100 197268189 /nfs/dbraw/zinc/26/81/89/197268189.db2.gz DUEGOSDETNGLTP-OAHLLOKOSA-N 1 0 305.334 1.186 20 5 DDBDRO O=[N+]([O-])c1cnc2ccc(N3CC[C@@H]([NH+]4CCCC4)C3)nn21 ZINC000301956233 285185636 /nfs/dbraw/zinc/18/56/36/285185636.db2.gz FLFDEWGQOQPLGF-LLVKDONJSA-N 1 0 302.338 1.312 20 5 DDBDRO COC[C@]1(C(=O)OC)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000294939658 533217532 /nfs/dbraw/zinc/21/75/32/533217532.db2.gz CCWLTWPMDCNIPW-HNNXBMFYSA-N 1 0 308.334 1.606 20 5 DDBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]CCN1CCC(O)CC1 ZINC000294873998 224279673 /nfs/dbraw/zinc/27/96/73/224279673.db2.gz PKSMANDIGJVHMV-UHFFFAOYSA-N 1 0 313.785 1.795 20 5 DDBDRO CC[C@H]1[NH2+]CC[C@H]1C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000289925539 221322018 /nfs/dbraw/zinc/32/20/18/221322018.db2.gz KQRORCKXMZIGGW-VXGBXAGGSA-N 1 0 307.350 1.608 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000414656178 533225590 /nfs/dbraw/zinc/22/55/90/533225590.db2.gz MSSGPIROWOFFNC-WDEREUQCSA-N 1 0 320.349 1.677 20 5 DDBDRO O=C(COc1cccc([N+](=O)[O-])c1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000290041471 221396821 /nfs/dbraw/zinc/39/68/21/221396821.db2.gz GOEPMRXGUQVZDG-RYUDHWBXSA-N 1 0 305.334 1.042 20 5 DDBDRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000122071253 195397458 /nfs/dbraw/zinc/39/74/58/195397458.db2.gz LJFZANNDFFNQDM-WCQYABFASA-N 1 0 306.366 1.735 20 5 DDBDRO CO[C@H]1c2ccccc2C[C@H]1[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000411891110 533317127 /nfs/dbraw/zinc/31/71/27/533317127.db2.gz JBUWHBINCVSZBH-OCCSQVGLSA-N 1 0 302.334 1.730 20 5 DDBDRO C[C@@H]1C[C@@H](NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC[N@@H+]1C ZINC000330889569 533599180 /nfs/dbraw/zinc/59/91/80/533599180.db2.gz BMNRAYCQQARCQI-MNOVXSKESA-N 1 0 309.370 1.125 20 5 DDBDRO C[C@H]1CCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000417947131 533609658 /nfs/dbraw/zinc/60/96/58/533609658.db2.gz RZOJKFJCEKILOI-GXTWGEPZSA-N 1 0 320.393 1.764 20 5 DDBDRO COc1ccc(CNC(=O)NC[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000417183037 533619518 /nfs/dbraw/zinc/61/95/18/533619518.db2.gz AKYBJSSXYBXCDY-LBPRGKRZSA-N 1 0 322.365 1.402 20 5 DDBDRO COc1c[nH+]ccc1N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000360241304 299618338 /nfs/dbraw/zinc/61/83/38/299618338.db2.gz JBAJJABLFRIDBP-UHFFFAOYSA-N 1 0 315.333 1.720 20 5 DDBDRO C[C@H](NC(=O)NCC[C@H]1CC[NH2+]C1)c1ccccc1[N+](=O)[O-] ZINC000417987054 533644616 /nfs/dbraw/zinc/64/46/16/533644616.db2.gz QXGLRFZYBJBXKY-NWDGAFQWSA-N 1 0 306.366 1.955 20 5 DDBDRO C[C@@H]1C[C@@H](O)C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000452095061 533675163 /nfs/dbraw/zinc/67/51/63/533675163.db2.gz KOTBOXWRTBVDEL-BNOWGMLFSA-N 1 0 310.350 1.037 20 5 DDBDRO COC(=O)COc1ccc(C[NH2+][C@H]2CO[C@H](C)C2)cc1[N+](=O)[O-] ZINC000569845074 304382297 /nfs/dbraw/zinc/38/22/97/304382297.db2.gz MTNKSPBELRJTSX-ZYHUDNBSSA-N 1 0 324.333 1.414 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@@H](C[NH+](C)C)C2)c1 ZINC000266093137 292282428 /nfs/dbraw/zinc/28/24/28/292282428.db2.gz AMIFHUSIHXPCMD-LBPRGKRZSA-N 1 0 307.350 1.306 20 5 DDBDRO C[NH+](C)[C@@H]1CCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000128722332 407567481 /nfs/dbraw/zinc/56/74/81/407567481.db2.gz NLIUCLIELUIJEF-CYBMUJFWSA-N 1 0 316.361 1.781 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)c1 ZINC000570273802 304402748 /nfs/dbraw/zinc/40/27/48/304402748.db2.gz QQYGUVQDXNNWIU-GFCCVEGCSA-N 1 0 319.361 1.960 20 5 DDBDRO CCCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000071330331 406837361 /nfs/dbraw/zinc/83/73/61/406837361.db2.gz ROCNQSDRXBAHND-LBPRGKRZSA-N 1 0 313.379 1.357 20 5 DDBDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC000032269064 406947226 /nfs/dbraw/zinc/94/72/26/406947226.db2.gz KRDJEKXQZITRKK-CYBMUJFWSA-N 1 0 324.381 1.020 20 5 DDBDRO O=[N+]([O-])c1ccccc1CN1CCN(CC[NH+]2CCCC2)CC1 ZINC000053100729 407163336 /nfs/dbraw/zinc/16/33/36/407163336.db2.gz ABWYAELBKGPPBP-UHFFFAOYSA-N 1 0 318.421 1.808 20 5 DDBDRO C[C@@H]1CN(c2ncc(Br)cc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000053712451 407172553 /nfs/dbraw/zinc/17/25/53/407172553.db2.gz DRXCZSIFUMQYDM-OCAPTIKFSA-N 1 0 315.171 1.939 20 5 DDBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NCC[NH2+]C1CC1 ZINC000054266972 407181690 /nfs/dbraw/zinc/18/16/90/407181690.db2.gz KZYCNBAHDWETDO-UHFFFAOYSA-N 1 0 319.770 1.279 20 5 DDBDRO C[NH+](C)[C@@H](CNc1ncc([N+](=O)[O-])cc1C(N)=O)c1ccco1 ZINC000097251462 407288971 /nfs/dbraw/zinc/28/89/71/407288971.db2.gz QIXWILLTNLQHOK-NSHDSACASA-N 1 0 319.321 1.397 20 5 DDBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)[C@H]1CCCCNC1=O ZINC000105613129 407354220 /nfs/dbraw/zinc/35/42/20/407354220.db2.gz HESBUEOKACSPDG-AWEZNQCLSA-N 1 0 307.350 1.574 20 5 DDBDRO COc1ccc(OCC[N@@H+]2CCC[C@@](C)(O)C2)c([N+](=O)[O-])c1 ZINC000124569770 407362139 /nfs/dbraw/zinc/36/21/39/407362139.db2.gz SGFUAXNSFBZDOJ-OAHLLOKOSA-N 1 0 310.350 1.829 20 5 DDBDRO Nc1ccc(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000108783145 407390741 /nfs/dbraw/zinc/39/07/41/407390741.db2.gz DOLUTBXXIPAMOS-JTQLQIEISA-N 1 0 304.350 1.391 20 5 DDBDRO CC[N@@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000107892732 407381303 /nfs/dbraw/zinc/38/13/03/407381303.db2.gz YNNJVWSYAYKFJO-JTQLQIEISA-N 1 0 322.321 1.575 20 5 DDBDRO COCC1CC[NH+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000112355913 407427608 /nfs/dbraw/zinc/42/76/08/407427608.db2.gz MGHMNMDURWMAMD-HNNXBMFYSA-N 1 0 324.377 1.693 20 5 DDBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000113196894 407473771 /nfs/dbraw/zinc/47/37/71/407473771.db2.gz XEXCATKZZGNSFQ-LBPRGKRZSA-N 1 0 323.397 1.631 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000127976034 407484755 /nfs/dbraw/zinc/48/47/55/407484755.db2.gz DGDFCKQLALWUNT-CYBMUJFWSA-N 1 0 321.381 1.044 20 5 DDBDRO C[NH2+]CCCC(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-] ZINC000178597270 407504811 /nfs/dbraw/zinc/50/48/11/407504811.db2.gz DMNZHQGJKVNYOK-UHFFFAOYSA-N 1 0 308.382 1.821 20 5 DDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCC2(C1)CC[NH2+]CC2 ZINC000261672057 407575059 /nfs/dbraw/zinc/57/50/59/407575059.db2.gz JGOZPEACTOIERN-UHFFFAOYSA-N 1 0 303.362 1.739 20 5 DDBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CC[C@H](O)C3)o2)c1 ZINC000114470345 407577939 /nfs/dbraw/zinc/57/79/39/407577939.db2.gz CVIKAMVRXSSHBD-ZDUSSCGKSA-N 1 0 303.318 1.859 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C2(c3ccccc3)CC2)c1 ZINC000266730803 407613814 /nfs/dbraw/zinc/61/38/14/407613814.db2.gz KMMHIKBNHPJQJN-CQSZACIVSA-N 1 0 302.334 1.431 20 5 DDBDRO Cc1cc(C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)ccc1[N+](=O)[O-] ZINC000261927292 407675461 /nfs/dbraw/zinc/67/54/61/407675461.db2.gz SKISYAOSPHKNLH-CQSZACIVSA-N 1 0 318.377 1.023 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCCC[NH+](C)C)c1C ZINC000267119960 407754709 /nfs/dbraw/zinc/75/47/09/407754709.db2.gz DEVWRBAJEQHNJE-UHFFFAOYSA-N 1 0 315.395 1.442 20 5 DDBDRO Cc1ccc(C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc1[N+](=O)[O-] ZINC000262181169 407759155 /nfs/dbraw/zinc/75/91/55/407759155.db2.gz WRBRRBSBVDKNSR-HNNXBMFYSA-N 1 0 304.394 1.383 20 5 DDBDRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000236741186 407764860 /nfs/dbraw/zinc/76/48/60/407764860.db2.gz ZGTRMUARVWJJJO-AWEZNQCLSA-N 1 0 309.366 1.805 20 5 DDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000262311411 407793566 /nfs/dbraw/zinc/79/35/66/407793566.db2.gz CXPWHFJOITVYOG-OAHLLOKOSA-N 1 0 318.377 1.781 20 5 DDBDRO CCC[C@H]([NH2+]CCS(=O)(=O)NC)c1cccc([N+](=O)[O-])c1 ZINC000187200523 407830849 /nfs/dbraw/zinc/83/08/49/407830849.db2.gz LXXBWSSIGQXZLC-ZDUSSCGKSA-N 1 0 315.395 1.575 20 5 DDBDRO C[C@H]([NH3+])CCNC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000262540118 407861846 /nfs/dbraw/zinc/86/18/46/407861846.db2.gz SMGUAXXUTDLTOR-JTQLQIEISA-N 1 0 317.349 1.462 20 5 DDBDRO O=C(c1n[nH]cc1[N+](=O)[O-])N1CCC[C@@H]([NH+]2CCCCCC2)C1 ZINC000153689747 407880919 /nfs/dbraw/zinc/88/09/19/407880919.db2.gz DGIXUTHQSRTRDQ-GFCCVEGCSA-N 1 0 321.381 1.799 20 5 DDBDRO O=C(CCc1cccc([N+](=O)[O-])c1)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000238067118 407882493 /nfs/dbraw/zinc/88/24/93/407882493.db2.gz AHPKVLSBXVCJPB-PBWFPOADSA-N 1 0 303.362 1.927 20 5 DDBDRO Cc1c(CC(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)cccc1[N+](=O)[O-] ZINC000272520991 407961414 /nfs/dbraw/zinc/96/14/14/407961414.db2.gz PWWGFRJQIGPQFO-XJKSGUPXSA-N 1 0 317.389 1.998 20 5 DDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000272451593 407926056 /nfs/dbraw/zinc/92/60/56/407926056.db2.gz NPPYYGUIWXXNMR-RYUDHWBXSA-N 1 0 304.350 1.534 20 5 DDBDRO COC(=O)c1cc(NC(=O)[C@H](C(C)C)[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000118723770 407937359 /nfs/dbraw/zinc/93/73/59/407937359.db2.gz AHWMETOKCWEZHX-ZDUSSCGKSA-N 1 0 323.349 1.906 20 5 DDBDRO CN(CC1([NH+](C)C)CCC1)C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000189517079 408038446 /nfs/dbraw/zinc/03/84/46/408038446.db2.gz DOUCUVTYSFOSLY-UHFFFAOYSA-N 1 0 320.393 1.949 20 5 DDBDRO C[C@H](CS(C)(=O)=O)[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000272564460 407986198 /nfs/dbraw/zinc/98/61/98/407986198.db2.gz FENIVWAFVWKIPZ-SECBINFHSA-N 1 0 320.798 1.813 20 5 DDBDRO C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CCC(CO)CC1 ZINC000268341387 408006312 /nfs/dbraw/zinc/00/63/12/408006312.db2.gz CIVBIGQIRZWLGB-UHFFFAOYSA-N 1 0 321.377 1.677 20 5 DDBDRO CC(C)(O)[C@@H]1CCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182224853 408099887 /nfs/dbraw/zinc/09/98/87/408099887.db2.gz BXARNSSQBODSOK-WFASDCNBSA-N 1 0 324.377 1.570 20 5 DDBDRO CCN(CCC[NH+](C)C)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000189823595 408116676 /nfs/dbraw/zinc/11/66/76/408116676.db2.gz UFABSUCWTHINJO-UHFFFAOYSA-N 1 0 322.365 1.334 20 5 DDBDRO Cc1cc(C(=O)N2CCN(CC[NH+](C)C)CC2)cc([N+](=O)[O-])c1 ZINC000147435312 408189410 /nfs/dbraw/zinc/18/94/10/408189410.db2.gz DKGNOCDXSKNWPL-UHFFFAOYSA-N 1 0 320.393 1.223 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCS[C@@H]3COCC[C@H]32)c1 ZINC000246282992 408205168 /nfs/dbraw/zinc/20/51/68/408205168.db2.gz NVVMKYAMGGBPLV-RBSFLKMASA-N 1 0 324.402 1.835 20 5 DDBDRO Cc1nc(N2CCC([N@H+](C)CCCO)CC2)ccc1[N+](=O)[O-] ZINC000150843756 408211052 /nfs/dbraw/zinc/21/10/52/408211052.db2.gz JSCYTBGWRZKGSK-UHFFFAOYSA-N 1 0 308.382 1.581 20 5 DDBDRO COCC[C@@H](C)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000273493835 408224434 /nfs/dbraw/zinc/22/44/34/408224434.db2.gz XJEGLZWTWDKQJQ-LLVKDONJSA-N 1 0 316.379 1.383 20 5 DDBDRO C[C@@H]1C[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@H]1CO ZINC000190895233 408339059 /nfs/dbraw/zinc/33/90/59/408339059.db2.gz NHQPITCKCCIFJK-YPMHNXCESA-N 1 0 319.361 1.044 20 5 DDBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000274244928 408339270 /nfs/dbraw/zinc/33/92/70/408339270.db2.gz SNWGRWSVIZJDAK-CZUORRHYSA-N 1 0 323.393 1.281 20 5 DDBDRO NC(=O)C[C@H]1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269631599 408367630 /nfs/dbraw/zinc/36/76/30/408367630.db2.gz FWXWSESOKRYCRB-RISCZKNCSA-N 1 0 307.350 1.216 20 5 DDBDRO C[C@@H](CN1CC[NH+](C)CC1)Nc1c(F)cc([N+](=O)[O-])cc1F ZINC000269628766 408368638 /nfs/dbraw/zinc/36/86/38/408368638.db2.gz KNCWMJGLZSYUTL-JTQLQIEISA-N 1 0 314.336 1.921 20 5 DDBDRO CCCc1n[nH]c(C(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000177144811 408534594 /nfs/dbraw/zinc/53/45/94/408534594.db2.gz YYCGSTDKPLKFKD-ZJUUUORDSA-N 1 0 321.381 1.625 20 5 DDBDRO C[C@H](O)C[N@@H+]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000248650911 408608210 /nfs/dbraw/zinc/60/82/10/408608210.db2.gz AHOPVGYJAVIQDY-NEPJUHHUSA-N 1 0 322.365 1.514 20 5 DDBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C[C@@H](C)[C@H]([NH+](C)C)C1 ZINC000270695043 408641403 /nfs/dbraw/zinc/64/14/03/408641403.db2.gz YTSAHZNCYKLPRT-TYNCELHUSA-N 1 0 320.393 1.804 20 5 DDBDRO C[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@H]1CO ZINC000248900266 408659236 /nfs/dbraw/zinc/65/92/36/408659236.db2.gz HEWIKXRIRHGSRD-HZMBPMFUSA-N 1 0 308.334 1.664 20 5 DDBDRO CC[C@@H]([NH2+]CCNS(=O)(=O)CC)c1cccc([N+](=O)[O-])c1 ZINC000177804277 408717015 /nfs/dbraw/zinc/71/70/15/408717015.db2.gz UWIMQMUCJQGEOY-CYBMUJFWSA-N 1 0 315.395 1.575 20 5 DDBDRO C[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000275845694 408693979 /nfs/dbraw/zinc/69/39/79/408693979.db2.gz KKNYDTCOAQUYMX-MGPQQGTHSA-N 1 0 324.377 1.570 20 5 DDBDRO COc1ccc(OCC[N@H+](C)C[C@@H]2CCOC2)c([N+](=O)[O-])c1 ZINC000178347960 408810459 /nfs/dbraw/zinc/81/04/59/408810459.db2.gz BIDBDBXQIXEQFI-LBPRGKRZSA-N 1 0 310.350 1.951 20 5 DDBDRO [NH3+][C@H]1CC[C@@H]2CN(C(=O)COc3ccc([N+](=O)[O-])cc3)C[C@@H]12 ZINC000185088728 408753830 /nfs/dbraw/zinc/75/38/30/408753830.db2.gz HGBHGCHNYGECGN-HONMWMINSA-N 1 0 305.334 1.169 20 5 DDBDRO C[C@H](C(=O)NC[C@H]1CC[N@H+](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000185183466 408775627 /nfs/dbraw/zinc/77/56/27/408775627.db2.gz NWUZMFDDRQWAGM-WDEREUQCSA-N 1 0 309.341 1.905 20 5 DDBDRO CCN(CCC[NH+](C)C)C(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000276239567 408826969 /nfs/dbraw/zinc/82/69/69/408826969.db2.gz PFYCZFOQHCSZNL-UHFFFAOYSA-N 1 0 311.386 1.855 20 5 DDBDRO CC[NH+]1CCC(CCNc2nccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000290789226 408832942 /nfs/dbraw/zinc/83/29/42/408832942.db2.gz OCNVYYWASQHGAW-UHFFFAOYSA-N 1 0 321.381 1.623 20 5 DDBDRO [NH3+]CC[C@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000286037926 408912465 /nfs/dbraw/zinc/91/24/65/408912465.db2.gz KQNICDLQDAMRGC-LLVKDONJSA-N 1 0 322.321 1.847 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+]2CCC1CC2 ZINC000188603558 163059222 /nfs/dbraw/zinc/05/92/22/163059222.db2.gz IOMVXEOZBIWSPK-UHFFFAOYSA-N 1 0 305.334 1.524 20 5 DDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H](C)[C@H](CO)C1 ZINC000190908402 163164242 /nfs/dbraw/zinc/16/42/42/163164242.db2.gz DKEPZBCAXYRCFU-UTUOFQBUSA-N 1 0 307.350 1.482 20 5 DDBDRO CCn1nc(C)c([N+](=O)[O-])c1NC1CC[NH+](CCOC)CC1 ZINC000192531471 163227150 /nfs/dbraw/zinc/22/71/50/163227150.db2.gz NHQHFLCTBSZZPY-UHFFFAOYSA-N 1 0 311.386 1.642 20 5 DDBDRO [NH3+]CC[C@H]1CCCCN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000286178299 408936340 /nfs/dbraw/zinc/93/63/40/408936340.db2.gz RHAUJBMMRDNHRY-GFCCVEGCSA-N 1 0 307.350 1.704 20 5 DDBDRO Nc1c(C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)cccc1[N+](=O)[O-] ZINC000277610463 408977654 /nfs/dbraw/zinc/97/76/54/408977654.db2.gz VFTQPMXPGQPLQU-LBPRGKRZSA-N 1 0 318.377 1.924 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H](C)N1CC[NH+](C)CC1 ZINC000278071054 409061246 /nfs/dbraw/zinc/06/12/46/409061246.db2.gz VXINIPQZCMZMSV-ZDUSSCGKSA-N 1 0 320.393 1.269 20 5 DDBDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000278939118 409117128 /nfs/dbraw/zinc/11/71/28/409117128.db2.gz XJYRFYYSQMGONE-NSHDSACASA-N 1 0 323.349 1.513 20 5 DDBDRO CC(C)(C)[C@H](CO)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000278959622 409120987 /nfs/dbraw/zinc/12/09/87/409120987.db2.gz ZLCKTHVAHYCKNB-JSGCOSHPSA-N 1 0 312.366 1.331 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[NH2+]C[C@@H]1C ZINC000261774860 163701222 /nfs/dbraw/zinc/70/12/22/163701222.db2.gz NAKUSCFVIZMQPY-LBPRGKRZSA-N 1 0 306.366 1.526 20 5 DDBDRO C[C@H]([NH3+])[C@@H]1CCCCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000261930191 163731063 /nfs/dbraw/zinc/73/10/63/163731063.db2.gz JIVFGAKWZITOSO-GWCFXTLKSA-N 1 0 306.366 1.395 20 5 DDBDRO [NH3+]C[C@H]1CC[C@H](CNC(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000289288637 409243605 /nfs/dbraw/zinc/24/36/05/409243605.db2.gz QVRQHLGSSBDAGZ-JOCQHMNTSA-N 1 0 321.377 1.855 20 5 DDBDRO Nc1c(C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)cc(F)cc1[N+](=O)[O-] ZINC000289303914 409246340 /nfs/dbraw/zinc/24/63/40/409246340.db2.gz SKWKESUKAAEWKH-HNNXBMFYSA-N 1 0 322.340 1.532 20 5 DDBDRO COc1ccc(OCC[N@@H+]2CCC[C@@H](O)[C@H]2C)c([N+](=O)[O-])c1 ZINC000295094888 409321085 /nfs/dbraw/zinc/32/10/85/409321085.db2.gz AKOIHAMSFCFIRT-BXUZGUMPSA-N 1 0 310.350 1.827 20 5 DDBDRO CC[NH2+][C@H](C)CNC(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000262501097 163839633 /nfs/dbraw/zinc/83/96/33/163839633.db2.gz YKXPSYUJOLDXLB-SNVBAGLBSA-N 1 0 311.338 1.096 20 5 DDBDRO Cc1ccc(C[N@@H+](C)[C@H]2CCN3CCO[C@H]2C3)cc1[N+](=O)[O-] ZINC000295135109 409337280 /nfs/dbraw/zinc/33/72/80/409337280.db2.gz PAJALHKMOURMLX-HOCLYGCPSA-N 1 0 305.378 1.808 20 5 DDBDRO CCOC1CC(O)(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000285374822 409416515 /nfs/dbraw/zinc/41/65/15/409416515.db2.gz WDPLCGHZLTUKQC-CKQAKLJMSA-N 1 0 309.366 1.758 20 5 DDBDRO CC[N@@H+]1CC[C@H](CNC(=O)c2cccc([N+](=O)[O-])c2NC)C1 ZINC000317537928 164028332 /nfs/dbraw/zinc/02/83/32/164028332.db2.gz ARKYQLYRRXCJHC-LLVKDONJSA-N 1 0 306.366 1.708 20 5 DDBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290684383 409486868 /nfs/dbraw/zinc/48/68/68/409486868.db2.gz SUOMGKJCRMMDKA-QWRGUYRKSA-N 1 0 321.381 1.621 20 5 DDBDRO COC(=O)Cc1ccc(N2CCC[C@H]([NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000295453622 409490987 /nfs/dbraw/zinc/49/09/87/409490987.db2.gz HHOPLSAHGVVFJQ-ZDUSSCGKSA-N 1 0 321.377 1.841 20 5 DDBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](C[C@@H]3CCCOC3)C2)nc1 ZINC000331461073 409535039 /nfs/dbraw/zinc/53/50/39/409535039.db2.gz JJJPGOIZHQZKRY-STQMWFEESA-N 1 0 306.366 1.903 20 5 DDBDRO C[C@H](CC(N)=O)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000344905898 409553914 /nfs/dbraw/zinc/55/39/14/409553914.db2.gz XGMWZNDEWNTLAN-SSDOTTSWSA-N 1 0 303.265 1.550 20 5 DDBDRO COC(=O)COc1ccc(C[NH2+]C[C@H](O)C2CC2)cc1[N+](=O)[O-] ZINC000348999188 409639985 /nfs/dbraw/zinc/63/99/85/409639985.db2.gz DYSZKBHEEUHDQL-ZDUSSCGKSA-N 1 0 324.333 1.007 20 5 DDBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])cnc2C)C1 ZINC000338077886 409700301 /nfs/dbraw/zinc/70/03/01/409700301.db2.gz IQQNFGUVJBIDNK-LBPRGKRZSA-N 1 0 306.366 1.760 20 5 DDBDRO Cc1nc(NCC2([NH+]3CCCC3)CCOCC2)ncc1[N+](=O)[O-] ZINC000296921188 409708233 /nfs/dbraw/zinc/70/82/33/409708233.db2.gz ARRRNJDSINAZFI-UHFFFAOYSA-N 1 0 321.381 1.750 20 5 DDBDRO CN(C)C(=O)O[C@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000296829079 409654285 /nfs/dbraw/zinc/65/42/85/409654285.db2.gz SDDSWQGSJCHJNY-AWEZNQCLSA-N 1 0 323.349 1.746 20 5 DDBDRO Cn1nc([N+](=O)[O-])cc1C(=O)NCCCCC[NH+]1CCCC1 ZINC000357052855 409822905 /nfs/dbraw/zinc/82/29/05/409822905.db2.gz DYZWVEXEAPKRSO-UHFFFAOYSA-N 1 0 309.370 1.324 20 5 DDBDRO C[N@@H+]1CCC[C@H]2CN(c3cccc(C(N)=O)c3[N+](=O)[O-])CC[C@H]21 ZINC000342706709 409832764 /nfs/dbraw/zinc/83/27/64/409832764.db2.gz ROVWMGGYPISMEF-WCQYABFASA-N 1 0 318.377 1.614 20 5 DDBDRO O=C(NCC1CC[NH2+]CC1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000297188873 409846552 /nfs/dbraw/zinc/84/65/52/409846552.db2.gz LPWNXXZELIRLLC-UHFFFAOYSA-N 1 0 303.322 1.201 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[N@@H+](C)[C@H](C)[C@H]1C ZINC000357012402 409792975 /nfs/dbraw/zinc/79/29/75/409792975.db2.gz YQJUYRQNWITJOT-CHWSQXEVSA-N 1 0 320.393 1.866 20 5 DDBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)[C@@H]1CCN(C2CC2)C1=O ZINC000338344862 409927296 /nfs/dbraw/zinc/92/72/96/409927296.db2.gz CSCSAPHQNFUKHQ-OAHLLOKOSA-N 1 0 303.362 1.832 20 5 DDBDRO C[N@H+](CCC(=O)N1CCOCC1)CCc1cccc([N+](=O)[O-])c1 ZINC000338360544 409939415 /nfs/dbraw/zinc/93/94/15/409939415.db2.gz OGAADUAPZNPDPV-UHFFFAOYSA-N 1 0 321.377 1.318 20 5 DDBDRO COC(=O)c1cc(C)nc(N[C@H]2CCC[N@H+](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000342835809 409940224 /nfs/dbraw/zinc/94/02/24/409940224.db2.gz QOPXAQBAOVVKHY-PWSUYJOCSA-N 1 0 322.365 1.979 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NCC[NH+]2CCCC2)c1 ZINC000338502123 410026248 /nfs/dbraw/zinc/02/62/48/410026248.db2.gz VWGOHJCMLYGEIJ-UHFFFAOYSA-N 1 0 307.350 1.819 20 5 DDBDRO Cc1cc(NC(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000332239265 410005256 /nfs/dbraw/zinc/00/52/56/410005256.db2.gz RBTXQEMIXVAJGH-NEPJUHHUSA-N 1 0 304.350 1.976 20 5 DDBDRO CC1=CC[N@H+](CCNc2nccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000357451120 410049350 /nfs/dbraw/zinc/04/93/50/410049350.db2.gz FPBCXOSXRPCQSO-UHFFFAOYSA-N 1 0 305.338 1.153 20 5 DDBDRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000342986098 410052891 /nfs/dbraw/zinc/05/28/91/410052891.db2.gz AMDUWSZGLVGNDO-KCJUWKMLSA-N 1 0 303.322 1.607 20 5 DDBDRO O=[N+]([O-])c1ccc(OC(F)F)c(CN2CCC[NH2+]CC2)c1 ZINC000346688829 410083996 /nfs/dbraw/zinc/08/39/96/410083996.db2.gz OVQVBNCBZSRPRO-UHFFFAOYSA-N 1 0 301.293 1.992 20 5 DDBDRO C[C@@H](Cn1cccn1)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000298481790 410248406 /nfs/dbraw/zinc/24/84/06/410248406.db2.gz GCOSNYAXIDPCFM-JSGCOSHPSA-N 1 0 320.349 1.209 20 5 DDBDRO CCCC[N@H+](CCO)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000298709685 410359857 /nfs/dbraw/zinc/35/98/57/410359857.db2.gz YVYHSJZEQARVHC-CYBMUJFWSA-N 1 0 312.366 1.429 20 5 DDBDRO C[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000352185435 410530251 /nfs/dbraw/zinc/53/02/51/410530251.db2.gz CJMXVBAGUNIJFI-OLZOCXBDSA-N 1 0 310.350 1.445 20 5 DDBDRO C[C@@H]1[C@@H](NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CCC[N@@H+]1C ZINC000355924341 410735945 /nfs/dbraw/zinc/73/59/45/410735945.db2.gz ZBDOFTHHXBSYOZ-SKDRFNHKSA-N 1 0 317.349 1.684 20 5 DDBDRO CC(C)[C@](C)(CO)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000352916817 410688083 /nfs/dbraw/zinc/68/80/83/410688083.db2.gz RMRIZSINZZXELB-HIFRSBDPSA-N 1 0 312.366 1.331 20 5 DDBDRO C[C@@H]1CN(C(=O)COc2ccc([N+](=O)[O-])cc2)[C@@H](C)C[N@@H+]1C ZINC000330579882 410795588 /nfs/dbraw/zinc/79/55/88/410795588.db2.gz IIXFFANDUBLSPZ-NEPJUHHUSA-N 1 0 307.350 1.525 20 5 DDBDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000348180933 410839759 /nfs/dbraw/zinc/83/97/59/410839759.db2.gz IZPXADJUXWCLMG-VXGBXAGGSA-N 1 0 307.350 1.608 20 5 DDBDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)c2cc([N+](=O)[O-])nn2C)C1 ZINC000356157852 410869934 /nfs/dbraw/zinc/86/99/34/410869934.db2.gz MGWOXURJOYPKIK-GFCCVEGCSA-N 1 0 323.397 1.570 20 5 DDBDRO Cc1nn(C)c(N(C)CCN2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000302856197 410877480 /nfs/dbraw/zinc/87/74/80/410877480.db2.gz LSJCJBDDDOXUOA-PHIMTYICSA-N 1 0 311.386 1.182 20 5 DDBDRO Cc1cc(S(=O)(=O)N(C)[C@H](C[NH3+])C2CC2)ccc1[N+](=O)[O-] ZINC000359987153 410985551 /nfs/dbraw/zinc/98/55/51/410985551.db2.gz ULAHKLDAYVJIJB-CYBMUJFWSA-N 1 0 313.379 1.261 20 5 DDBDRO CC1(C)CCC[N@H+](CCNC(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000331280261 411054819 /nfs/dbraw/zinc/05/48/19/411054819.db2.gz BKNQZXADBJHESF-UHFFFAOYSA-N 1 0 309.370 1.030 20 5 DDBDRO C[C@@H]1C[C@@H](C(=O)NCCNc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000353580636 411072637 /nfs/dbraw/zinc/07/26/37/411072637.db2.gz IQFZFLPGDNRFQS-OLZOCXBDSA-N 1 0 320.393 1.853 20 5 DDBDRO C[NH+](C)CCOC1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000353798693 411131225 /nfs/dbraw/zinc/13/12/25/411131225.db2.gz AWVVZTVKMXMKBH-UHFFFAOYSA-N 1 0 321.377 1.778 20 5 DDBDRO C[C@]1(CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CCC[NH2+]C1 ZINC000129163488 196025123 /nfs/dbraw/zinc/02/51/23/196025123.db2.gz VJHOMNOWNJQNGE-ZDUSSCGKSA-N 1 0 313.379 1.263 20 5 DDBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000129574622 196058944 /nfs/dbraw/zinc/05/89/44/196058944.db2.gz BPRXYBZLLXHNCM-CQSZACIVSA-N 1 0 305.378 1.749 20 5 DDBDRO CC(C)([NH3+])CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000129604973 196061658 /nfs/dbraw/zinc/06/16/58/196061658.db2.gz VHFPGEVIVBAITJ-UHFFFAOYSA-N 1 0 316.155 1.824 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CC[C@@H]2CCOC2)c1 ZINC000580769796 422952281 /nfs/dbraw/zinc/95/22/81/422952281.db2.gz IQMNXPPXPBXXQM-OCCSQVGLSA-N 1 0 310.350 1.351 20 5 DDBDRO CN(C(=O)C[N@H+](C)[C@H](CO)C(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000134398680 196386883 /nfs/dbraw/zinc/38/68/83/196386883.db2.gz JXSVOWXRCXRIDS-CQSZACIVSA-N 1 0 323.393 1.896 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H](C)CCC[NH3+] ZINC000417187046 225237405 /nfs/dbraw/zinc/23/74/05/225237405.db2.gz ULLYIJMMSCSGDV-JTQLQIEISA-N 1 0 310.354 1.530 20 5 DDBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)[C@]12C[C@H]1CC[NH2+]2 ZINC000423161279 227382145 /nfs/dbraw/zinc/38/21/45/227382145.db2.gz IOZZGFZDSSEOAD-CJNGLKHVSA-N 1 0 303.362 1.786 20 5 DDBDRO Cc1cc(S(=O)(=O)NC(C)(C)CC[NH3+])ccc1[N+](=O)[O-] ZINC000422554013 227046721 /nfs/dbraw/zinc/04/67/21/227046721.db2.gz LHIRZLKZDXABPV-UHFFFAOYSA-N 1 0 301.368 1.309 20 5 DDBDRO Cc1c(CC(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000290292297 221550870 /nfs/dbraw/zinc/55/08/70/221550870.db2.gz DILMRYPIDCXLND-KGLIPLIRSA-N 1 0 303.362 1.514 20 5 DDBDRO C[NH+](C)C1(CNc2nccc(C(N)=O)c2[N+](=O)[O-])CCCC1 ZINC000290540165 221731771 /nfs/dbraw/zinc/73/17/71/221731771.db2.gz PDFYDJRWUGBDES-UHFFFAOYSA-N 1 0 307.354 1.375 20 5 DDBDRO CC[C@@H]1CN(Cc2c([N+](=O)[O-])ncn2C)C[C@]2(CCOC2)O1 ZINC000373803672 418461441 /nfs/dbraw/zinc/46/14/41/418461441.db2.gz FAVJZPNZWXGHBT-RISCZKNCSA-N 1 0 310.354 1.098 20 5 DDBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC(=O)NCC(F)F ZINC000360773344 418514182 /nfs/dbraw/zinc/51/41/82/418514182.db2.gz RJYDJAKLVLMKQR-YHYXMXQVSA-N 1 0 313.304 1.969 20 5 DDBDRO CN1Cc2ccccc2[C@@H](NC(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000366956237 418543406 /nfs/dbraw/zinc/54/34/06/418543406.db2.gz XRWRMOBWUIEBMS-ZDUSSCGKSA-N 1 0 315.333 1.094 20 5 DDBDRO C[C@@H]([NH3+])CNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000194845364 418549620 /nfs/dbraw/zinc/54/96/20/418549620.db2.gz RNHBSEINRIDXCJ-ZCFIWIBFSA-N 1 0 302.128 1.434 20 5 DDBDRO Cc1c(NC(=O)N2CCN(CCO)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000188369391 222012091 /nfs/dbraw/zinc/01/20/91/222012091.db2.gz WCLHPTNNBVKQTQ-LLVKDONJSA-N 1 0 322.365 1.434 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)NCC2(C[NH+](C)C)CCCC2)n1 ZINC000191709004 222106999 /nfs/dbraw/zinc/10/69/99/222106999.db2.gz FKOADBIVIXZUFR-UHFFFAOYSA-N 1 0 323.397 1.663 20 5 DDBDRO O=C(N[C@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000361083851 418580613 /nfs/dbraw/zinc/58/06/13/418580613.db2.gz ZMHPLBOVSXBOOU-STQMWFEESA-N 1 0 307.325 1.852 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000338646336 418620436 /nfs/dbraw/zinc/62/04/36/418620436.db2.gz DMIQSPHIKAIOKV-UHFFFAOYSA-N 1 0 317.349 1.914 20 5 DDBDRO CCn1cc(C[N@H+](CCO)CCc2ccc([N+](=O)[O-])cc2)cn1 ZINC000361340168 418629722 /nfs/dbraw/zinc/62/97/22/418629722.db2.gz ANTRYIQLDBCJSB-UHFFFAOYSA-N 1 0 318.377 1.848 20 5 DDBDRO C[N@@H+]1CC[C@@]2(CCN(c3ccc4ncc([N+](=O)[O-])n4n3)C2)C1 ZINC000368299410 418716799 /nfs/dbraw/zinc/71/67/99/418716799.db2.gz OHZPRWDFONGXRI-CQSZACIVSA-N 1 0 302.338 1.170 20 5 DDBDRO CS(=O)(=O)c1cccc(N[C@H](CC[NH3+])C(F)F)c1[N+](=O)[O-] ZINC000383485313 418733293 /nfs/dbraw/zinc/73/32/93/418733293.db2.gz VOORGVDXPNCJGY-MRVPVSSYSA-N 1 0 323.321 1.393 20 5 DDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H](CC[NH3+])C(F)F ZINC000383322475 418733450 /nfs/dbraw/zinc/73/34/50/418733450.db2.gz SIGIPRJEHIPWSI-QMMMGPOBSA-N 1 0 323.321 1.164 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]Cc2ccc(F)cc2F)c1 ZINC000385881148 418738489 /nfs/dbraw/zinc/73/84/89/418738489.db2.gz LSBAJLGLTNLNDZ-GFCCVEGCSA-N 1 0 312.276 1.220 20 5 DDBDRO C[C@H]1C[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@H]1CO ZINC000362067897 418747159 /nfs/dbraw/zinc/74/71/59/418747159.db2.gz RHVBBMQRZZTPEB-JQWIXIFHSA-N 1 0 318.333 1.705 20 5 DDBDRO C[C@@H]1CN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@@H](C)C[N@@H+]1C ZINC000408073940 418786539 /nfs/dbraw/zinc/78/65/39/418786539.db2.gz VDSKGHUOPYGWPJ-NEPJUHHUSA-N 1 0 321.377 1.986 20 5 DDBDRO COc1ccc(CNC(=O)[C@H]2C[C@@H](C)CC[NH2+]2)cc1[N+](=O)[O-] ZINC000423055129 227328893 /nfs/dbraw/zinc/32/88/93/227328893.db2.gz CSWIQWSTCSROEK-CMPLNLGQSA-N 1 0 307.350 1.608 20 5 DDBDRO C[C@@H](CO)[N@@H+]1CCCN(C(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000364939819 418826483 /nfs/dbraw/zinc/82/64/83/418826483.db2.gz ZMDYSVNXNAXNBL-JTQLQIEISA-N 1 0 313.379 1.185 20 5 DDBDRO O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000372314500 418854955 /nfs/dbraw/zinc/85/49/55/418854955.db2.gz DKAMCVTZWHVIHR-LBPRGKRZSA-N 1 0 320.349 1.396 20 5 DDBDRO NC(=O)c1ccc(C[N@@H+]2CC[C@H]([C@@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC000372155905 418841083 /nfs/dbraw/zinc/84/10/83/418841083.db2.gz HVBCRMVCOPUPMB-GXTWGEPZSA-N 1 0 319.361 1.552 20 5 DDBDRO C[C@H](C(=O)NC(C)(C)C)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365851294 418916358 /nfs/dbraw/zinc/91/63/58/418916358.db2.gz VISPIRVEMARIHP-LLVKDONJSA-N 1 0 323.397 1.731 20 5 DDBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000417932385 419395701 /nfs/dbraw/zinc/39/57/01/419395701.db2.gz CZVGTCVJYSYVEE-UONOGXRCSA-N 1 0 318.377 1.388 20 5 DDBDRO C[C@H]1CCNC(=O)[C@H]1[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411698892 419383877 /nfs/dbraw/zinc/38/38/77/419383877.db2.gz VRVZMDXOKGOWMS-HZMBPMFUSA-N 1 0 320.349 1.038 20 5 DDBDRO C[C@@H]1CCNC(=O)[C@H]1[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411698895 419383894 /nfs/dbraw/zinc/38/38/94/419383894.db2.gz VRVZMDXOKGOWMS-YGRLFVJLSA-N 1 0 320.349 1.038 20 5 DDBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N1CC[NH2+]CC1 ZINC000418000845 419462429 /nfs/dbraw/zinc/46/24/29/419462429.db2.gz XFPWEIFDFNOPGU-UHFFFAOYSA-N 1 0 312.757 1.406 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+]C(C)(C)CN1CCOCC1 ZINC000412000242 419557994 /nfs/dbraw/zinc/55/79/94/419557994.db2.gz VMDBGAMVRFZXHX-UHFFFAOYSA-N 1 0 323.393 1.804 20 5 DDBDRO C[C@H](NC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000418233342 419633843 /nfs/dbraw/zinc/63/38/43/419633843.db2.gz OJAXHLUFKSHSPI-WCFLWFBJSA-N 1 0 304.350 1.517 20 5 DDBDRO CC(C)[C@H]1[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC12CCC2 ZINC000427188145 419613911 /nfs/dbraw/zinc/61/39/11/419613911.db2.gz WZAHFBFQEGKILY-UONOGXRCSA-N 1 0 308.382 1.663 20 5 DDBDRO NC(=O)CC1(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000421892629 419759429 /nfs/dbraw/zinc/75/94/29/419759429.db2.gz WOQILEUKEGNWJL-RYUDHWBXSA-N 1 0 321.381 1.520 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NCCNc1cc[nH+]cc1 ZINC000427948231 419771648 /nfs/dbraw/zinc/77/16/48/419771648.db2.gz UZIAOZNKEMVUEO-UHFFFAOYSA-N 1 0 316.317 1.262 20 5 DDBDRO C[C@H]1CN(c2nccc3ccc([N+](=O)[O-])cc32)CC[N@@H+]1CCO ZINC000413251929 419776331 /nfs/dbraw/zinc/77/63/31/419776331.db2.gz RHANKJKIDOJFLE-LBPRGKRZSA-N 1 0 316.361 1.646 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[N@@H+](C(C)C)C2)n1 ZINC000427705078 419716797 /nfs/dbraw/zinc/71/67/97/419716797.db2.gz GYYIJRJCVAPKQI-NSHDSACASA-N 1 0 309.370 1.414 20 5 DDBDRO O=[N+]([O-])c1ccc2oc(CN3CC[C@H]4[NH2+]CC[C@H]4C3)nc2c1 ZINC000428040005 419800286 /nfs/dbraw/zinc/80/02/86/419800286.db2.gz ULKIVHMYYCAVSV-CMPLNLGQSA-N 1 0 302.334 1.920 20 5 DDBDRO CC[C@H]1CN(CCNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)CCO1 ZINC000428067470 419807715 /nfs/dbraw/zinc/80/77/15/419807715.db2.gz ALYYJSITRBKDPY-AWEZNQCLSA-N 1 0 323.349 1.141 20 5 DDBDRO C[C@]12CC[N@H+](CCn3cc([N+](=O)[O-])ccc3=O)C[C@H]1C2(F)F ZINC000428736055 419923177 /nfs/dbraw/zinc/92/31/77/419923177.db2.gz RQGYYOFJHXSQDJ-YPMHNXCESA-N 1 0 313.304 1.734 20 5 DDBDRO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000435244261 229366055 /nfs/dbraw/zinc/36/60/55/229366055.db2.gz CKYAVMRFGJEGPK-NSHDSACASA-N 1 0 315.333 1.438 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1c2ccccc2C[C@@H]1C[NH3+] ZINC000422625389 419961623 /nfs/dbraw/zinc/96/16/23/419961623.db2.gz GOLQOCDQGAXLCS-GFCCVEGCSA-N 1 0 315.333 1.016 20 5 DDBDRO C[C@H]1CN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@H](C)[NH2+]1 ZINC000429367435 420008502 /nfs/dbraw/zinc/00/85/02/420008502.db2.gz UCPJFMFJHCHBTR-UWVGGRQHSA-N 1 0 321.333 1.188 20 5 DDBDRO C[C@H]([NH3+])c1ccc(CNC(=O)c2ccc([N+](=O)[O-])n2C)cc1 ZINC000429507120 420022708 /nfs/dbraw/zinc/02/27/08/420022708.db2.gz ILKZQMJUMYOMED-JTQLQIEISA-N 1 0 302.334 1.883 20 5 DDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423647358 420113179 /nfs/dbraw/zinc/11/31/79/420113179.db2.gz BLAOTQKCJMMWFK-CMPLNLGQSA-N 1 0 304.350 1.295 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[NH2+][C@@H](C)C1 ZINC000415667379 420142623 /nfs/dbraw/zinc/14/26/23/420142623.db2.gz YFCQMGGTEJEYJG-JTQLQIEISA-N 1 0 308.338 1.819 20 5 DDBDRO COc1cccc(C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)c1[N+](=O)[O-] ZINC000423697934 420131044 /nfs/dbraw/zinc/13/10/44/420131044.db2.gz OBBLJJOQYRDXCY-CMPLNLGQSA-N 1 0 305.334 1.427 20 5 DDBDRO Cc1c(CC(=O)N[C@H]2C[NH2+]CCC2(F)F)cccc1[N+](=O)[O-] ZINC000423700019 420131706 /nfs/dbraw/zinc/13/17/06/420131706.db2.gz RLGUDMINSUWRSJ-LBPRGKRZSA-N 1 0 313.304 1.559 20 5 DDBDRO CCOC(=O)c1cc(C(=O)NC[C@@H]2CC[NH2+]C2)cc([N+](=O)[O-])c1 ZINC000423565207 420082816 /nfs/dbraw/zinc/08/28/16/420082816.db2.gz LMYXKZVOMGNVJY-SNVBAGLBSA-N 1 0 321.333 1.111 20 5 DDBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000415491589 420088695 /nfs/dbraw/zinc/08/86/95/420088695.db2.gz BAFHFUAGBZFHEC-SNVBAGLBSA-N 1 0 300.265 1.714 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCCC[C@H]1C(N)=O ZINC000430216875 420092847 /nfs/dbraw/zinc/09/28/47/420092847.db2.gz JKIWCDLJTOVJQE-CHWSQXEVSA-N 1 0 307.350 1.737 20 5 DDBDRO C[C@H](C[NH3+])N(C)CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000430924950 420208236 /nfs/dbraw/zinc/20/82/36/420208236.db2.gz BWDVLAHQOSJQBL-SNVBAGLBSA-N 1 0 308.338 1.172 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@](C)(CN)C1CC1 ZINC000430591430 420149665 /nfs/dbraw/zinc/14/96/65/420149665.db2.gz FMNHIQANIHPSIL-INIZCTEOSA-N 1 0 320.393 1.949 20 5 DDBDRO C[C@@H](C[NH3+])NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000415699976 420150196 /nfs/dbraw/zinc/15/01/96/420150196.db2.gz KWWLQUDPWCERBI-LURJTMIESA-N 1 0 317.143 1.826 20 5 DDBDRO [NH3+]C[C@H]1CCC[C@@H]1Nc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000420209129 420151275 /nfs/dbraw/zinc/15/12/75/420151275.db2.gz VIJNXCJPARQVLT-PWSUYJOCSA-N 1 0 303.322 2.184 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@](C)(C[NH3+])C(C)C ZINC000430595453 420151595 /nfs/dbraw/zinc/15/15/95/420151595.db2.gz XZDHWNWLHNOCTK-OAHLLOKOSA-N 1 0 308.382 1.805 20 5 DDBDRO [NH3+][C@@H]1CCC[C@@H](CNc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000420278373 420178760 /nfs/dbraw/zinc/17/87/60/420178760.db2.gz JDBCNGSBRKVCFN-ZYHUDNBSSA-N 1 0 317.349 2.574 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CC[NH2+][C@@H](C)C1 ZINC000420343486 420222812 /nfs/dbraw/zinc/22/28/12/420222812.db2.gz ZKCNGBBHTDJSOM-QWRGUYRKSA-N 1 0 322.365 1.224 20 5 DDBDRO C[C@H]1CN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC[C@@H]1[NH3+] ZINC000430974491 420230508 /nfs/dbraw/zinc/23/05/08/420230508.db2.gz ZZMFHEMVIZZMKC-FZMZJTMJSA-N 1 0 318.377 1.153 20 5 DDBDRO CCC[NH2+]CCNS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000420439487 420288867 /nfs/dbraw/zinc/28/88/67/420288867.db2.gz STSTXWAJKXFVEK-UHFFFAOYSA-N 1 0 315.395 1.490 20 5 DDBDRO C[C@H]1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)C[C@@H]1C[NH3+] ZINC000424016179 420307085 /nfs/dbraw/zinc/30/70/85/420307085.db2.gz NPDJSFJAUUBPDM-RYUDHWBXSA-N 1 0 307.350 1.417 20 5 DDBDRO C[C@@H](C[NH+]1CCCCC1)Nc1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420580196 420321578 /nfs/dbraw/zinc/32/15/78/420321578.db2.gz CAKBAOIMFAXFQU-NSHDSACASA-N 1 0 306.366 1.980 20 5 DDBDRO C[C@@H]1C[C@H](Nc2c(C(N)=O)cccc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000420600840 420327675 /nfs/dbraw/zinc/32/76/75/420327675.db2.gz MTBCDJAUEDAGPE-ZJUUUORDSA-N 1 0 304.350 1.731 20 5 DDBDRO CCOC(=O)c1ccnc(N(C)C[C@H]2CCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000420633029 420336742 /nfs/dbraw/zinc/33/67/42/420336742.db2.gz IQPMOTRQXCHRBV-LLVKDONJSA-N 1 0 322.365 1.697 20 5 DDBDRO C[C@@H]1[NH2+]CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@H]1C ZINC000436059105 420304119 /nfs/dbraw/zinc/30/41/19/420304119.db2.gz MXKSTKBNHAMXSV-QWRGUYRKSA-N 1 0 317.349 1.827 20 5 DDBDRO C[NH+](C)CCOC1CCN(c2ncc([N+](=O)[O-])s2)CC1 ZINC000443511775 230016084 /nfs/dbraw/zinc/01/60/84/230016084.db2.gz RHOIUZXXLFLVKV-UHFFFAOYSA-N 1 0 300.384 1.598 20 5 DDBDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000437588125 420412053 /nfs/dbraw/zinc/41/20/53/420412053.db2.gz HZYYVUBIDIQNLH-HONMWMINSA-N 1 0 322.365 1.247 20 5 DDBDRO C[C@H]1CCN(C(=O)NCCc2ccccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000417773438 420474966 /nfs/dbraw/zinc/47/49/66/420474966.db2.gz WXLHKWVUFDTWPR-GXTWGEPZSA-N 1 0 320.393 1.764 20 5 DDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000417773498 420474994 /nfs/dbraw/zinc/47/49/94/420474994.db2.gz XHMJIPHNVRETOQ-KBPBESRZSA-N 1 0 318.377 1.388 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCC[N@@H+]2CCC[C@@H](C)C2)n1 ZINC000439102213 420479911 /nfs/dbraw/zinc/47/99/11/420479911.db2.gz SLOOTAAGRDMNBY-LLVKDONJSA-N 1 0 322.365 1.920 20 5 DDBDRO O=[N+]([O-])c1cnc2ccc(NC3CC[NH+](C4CCC4)CC3)nn21 ZINC000450881964 420551908 /nfs/dbraw/zinc/55/19/08/420551908.db2.gz SBZQDPFZEBEGNM-UHFFFAOYSA-N 1 0 316.365 2.066 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000442609235 420689269 /nfs/dbraw/zinc/68/92/69/420689269.db2.gz YFPPARMIAAKQEB-LLVKDONJSA-N 1 0 307.350 1.804 20 5 DDBDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000493048878 420743679 /nfs/dbraw/zinc/74/36/79/420743679.db2.gz NDVNYQPHWRFPAJ-BIZURNDZSA-N 1 0 307.325 1.943 20 5 DDBDRO O=C(CCc1cccc([N+](=O)[O-])c1)NCCNc1cc[nH+]cc1 ZINC000446734197 420765879 /nfs/dbraw/zinc/76/58/79/420765879.db2.gz JTBSSMGKDQDJAI-UHFFFAOYSA-N 1 0 314.345 1.573 20 5 DDBDRO C[C@H](CC[NH3+])NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000447245121 420768672 /nfs/dbraw/zinc/76/86/72/420768672.db2.gz FGIOMFMKSFOIQC-SSDOTTSWSA-N 1 0 307.759 1.264 20 5 DDBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CCN2CCCC2)n1 ZINC000447522441 420778781 /nfs/dbraw/zinc/77/87/81/420778781.db2.gz YRSXBJKYRKTBIX-KBPBESRZSA-N 1 0 307.398 1.960 20 5 DDBDRO [NH3+]CC[C@@H](NC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-])C(F)F ZINC000493275166 420806311 /nfs/dbraw/zinc/80/63/11/420806311.db2.gz XUOUJTWHNHVGGA-WUWIAWFRSA-N 1 0 317.267 1.846 20 5 DDBDRO C[NH2+]C[C@@H]1CCN(C(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000493700176 420918919 /nfs/dbraw/zinc/91/89/19/420918919.db2.gz ZYOKKYMBYSJQBL-MZBZXASESA-N 1 0 307.325 1.815 20 5 DDBDRO CC(C)[C@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)CC[N@@H+]1C ZINC000487956635 421058940 /nfs/dbraw/zinc/05/89/40/421058940.db2.gz VXQSIRKXGIBNQC-CQSZACIVSA-N 1 0 308.382 1.029 20 5 DDBDRO Cn1c(C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)ccc1[N+](=O)[O-] ZINC000495123618 421007509 /nfs/dbraw/zinc/00/75/09/421007509.db2.gz VELDELJYKJMJJZ-VXGBXAGGSA-N 1 0 306.366 1.490 20 5 DDBDRO CNc1nc(C(=O)N[C@@H]2CCC[N@H+](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000456017552 421089695 /nfs/dbraw/zinc/08/96/95/421089695.db2.gz ZBKHHBNCDGUFIE-VHSXEESVSA-N 1 0 307.354 1.244 20 5 DDBDRO C[C@@H]1[C@H](CO)CC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000488721175 421107706 /nfs/dbraw/zinc/10/77/06/421107706.db2.gz RNJVJSBHPMSJNV-PWSUYJOCSA-N 1 0 318.333 1.848 20 5 DDBDRO CCOC(=O)c1ccnc(NC[C@H](C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000489005459 421131435 /nfs/dbraw/zinc/13/14/35/421131435.db2.gz QCEVYCGWSTVYDK-JTQLQIEISA-N 1 0 310.354 1.776 20 5 DDBDRO Cc1nc(NC2CC[NH+](CCOC(C)C)CC2)ncc1[N+](=O)[O-] ZINC000450362540 421188436 /nfs/dbraw/zinc/18/84/36/421188436.db2.gz GNPDEJIURCEKJC-UHFFFAOYSA-N 1 0 323.397 1.995 20 5 DDBDRO C[C@@H](CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)[N@H+](C)C1CC1 ZINC000524359404 421258878 /nfs/dbraw/zinc/25/88/78/421258878.db2.gz SUFDPVCYNDQZKS-VIFPVBQESA-N 1 0 321.333 1.536 20 5 DDBDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000547755800 421363144 /nfs/dbraw/zinc/36/31/44/421363144.db2.gz AFWFOVWHCOSHSN-OUAUKWLOSA-N 1 0 309.370 1.414 20 5 DDBDRO CN(CC[N@H+](C)C1CCCCC1)C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000548413940 421434924 /nfs/dbraw/zinc/43/49/24/421434924.db2.gz FIADAOWQHXSJIR-UHFFFAOYSA-N 1 0 309.370 1.654 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCC[C@@H]2CCCCO2)c1 ZINC000563014135 421439170 /nfs/dbraw/zinc/43/91/70/421439170.db2.gz PSQRPIAVBBPAGC-KGLIPLIRSA-N 1 0 312.370 1.091 20 5 DDBDRO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000563159605 421465553 /nfs/dbraw/zinc/46/55/53/421465553.db2.gz GNWRJKYGQQYZNG-STQMWFEESA-N 1 0 304.350 1.263 20 5 DDBDRO O=C(NC1CC[NH+](C2CCCCC2)CC1)c1c[nH]nc1[N+](=O)[O-] ZINC000554877440 421664780 /nfs/dbraw/zinc/66/47/80/421664780.db2.gz IXDXJOYBIZSIEP-UHFFFAOYSA-N 1 0 321.381 1.845 20 5 DDBDRO C[C@H]1C[C@@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC[NH2+]1 ZINC000519549126 421700143 /nfs/dbraw/zinc/70/01/43/421700143.db2.gz ZIOJXJBTXOQQLC-IUCAKERBSA-N 1 0 307.306 1.194 20 5 DDBDRO [NH3+][C@@H]1CCC[C@@H]2CN(c3ccc4ncc([N+](=O)[O-])n4n3)C[C@H]21 ZINC000571423405 421715601 /nfs/dbraw/zinc/71/56/01/421715601.db2.gz SKPHKPNRBWVQNX-GMTAPVOTSA-N 1 0 302.338 1.201 20 5 DDBDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000570814540 421670324 /nfs/dbraw/zinc/67/03/24/421670324.db2.gz CPDHGYLPXCRLAM-VXGBXAGGSA-N 1 0 322.365 1.352 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@H](C)C[C@H](C)[NH3+])c1C ZINC000570842559 421673775 /nfs/dbraw/zinc/67/37/75/421673775.db2.gz PAPFBWVYIDEGBH-VHSXEESVSA-N 1 0 315.395 1.616 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CCCC1(O)CCC1 ZINC000583688994 422214190 /nfs/dbraw/zinc/21/41/90/422214190.db2.gz NIKNXSKFSBMPEQ-CYBMUJFWSA-N 1 0 324.377 1.619 20 5 DDBDRO C[C@@H]1C[C@@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000577842055 422437885 /nfs/dbraw/zinc/43/78/85/422437885.db2.gz GZEUEIJAEPIDHJ-XFMPKHEZSA-N 1 0 324.377 1.880 20 5 DDBDRO [NH3+]CC[C@@H]1CCCN(C(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000578121463 422500095 /nfs/dbraw/zinc/50/00/95/422500095.db2.gz GTOHSJDZNJJPMA-LBPRGKRZSA-N 1 0 306.366 1.865 20 5 DDBDRO CS(=O)(=O)NCCC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000578337495 422550149 /nfs/dbraw/zinc/55/01/49/422550149.db2.gz IJYXUWJAEIHALA-GFCCVEGCSA-N 1 0 313.379 1.111 20 5 DDBDRO C[NH2+]C[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000237319762 263575385 /nfs/dbraw/zinc/57/53/85/263575385.db2.gz CXNCEQWMCIROAZ-SECBINFHSA-N 1 0 319.408 1.276 20 5 DDBDRO Cc1[nH]nc(C(=O)Nc2nc3c(s2)C[C@H]([NH3+])CC3)c1[N+](=O)[O-] ZINC000343448875 271775201 /nfs/dbraw/zinc/77/52/01/271775201.db2.gz CKUBIJKFHOUOCJ-ZCFIWIBFSA-N 1 0 322.350 1.151 20 5 DDBDRO CC[C@H]1COCCN1CC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001120590525 782042595 /nfs/dbraw/zinc/04/25/95/782042595.db2.gz YODALMMJTOHLSV-HOCLYGCPSA-N 1 0 323.393 1.329 20 5 DDBDRO C[NH+](C)C/C=C\C(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000493288761 273790325 /nfs/dbraw/zinc/79/03/25/273790325.db2.gz GYTMPOCZYAQQSD-ARJAWSKDSA-N 1 0 305.334 1.434 20 5 DDBDRO COCCOC1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CCOCC1 ZINC000294898818 274036677 /nfs/dbraw/zinc/03/66/77/274036677.db2.gz XAWMGZNWYQQMCS-UHFFFAOYSA-N 1 0 324.377 1.897 20 5 DDBDRO C[C@@H](O)C[NH+]1CCN(Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000444680403 274270028 /nfs/dbraw/zinc/27/00/28/274270028.db2.gz FHPAXOAGQRFUPD-LLVKDONJSA-N 1 0 313.785 1.747 20 5 DDBDRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000237552871 274506874 /nfs/dbraw/zinc/50/68/74/274506874.db2.gz PGEXQKUKFZQQAM-TVQRCGJNSA-N 1 0 322.321 1.845 20 5 DDBDRO CC[NH+]1CCN([C@H]2CCN(c3cccc(F)c3[N+](=O)[O-])C2)CC1 ZINC000106479089 276202009 /nfs/dbraw/zinc/20/20/09/276202009.db2.gz DFNLNDYSMQEIOD-ZDUSSCGKSA-N 1 0 322.384 1.950 20 5 DDBDRO CC[N@H+](CCNC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-])C1CC1 ZINC000269453989 276348677 /nfs/dbraw/zinc/34/86/77/276348677.db2.gz RMIMCQUQZNGURQ-UHFFFAOYSA-N 1 0 309.370 1.655 20 5 DDBDRO CN1C(=O)CC[C@@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1=O ZINC000424325325 277007144 /nfs/dbraw/zinc/00/71/44/277007144.db2.gz XRWOSOXSBPSKDX-UONOGXRCSA-N 1 0 317.345 1.709 20 5 DDBDRO C[N@@H+]1CCC[C@]2(CCN(c3cccc(C(N)=O)c3[N+](=O)[O-])C2)C1 ZINC000338745489 277087266 /nfs/dbraw/zinc/08/72/66/277087266.db2.gz NRNFZRVTPWPINX-INIZCTEOSA-N 1 0 318.377 1.616 20 5 DDBDRO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)C[NH+](C)C ZINC000168710780 278695464 /nfs/dbraw/zinc/69/54/64/278695464.db2.gz VXJYQKUWPJYZCE-VIFPVBQESA-N 1 0 319.358 1.271 20 5 DDBDRO CC(C)[C@@H]1CN(c2c(C(N)=O)cccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000420613907 280016250 /nfs/dbraw/zinc/01/62/50/280016250.db2.gz UPGZTDIQWAYYGE-ZDUSSCGKSA-N 1 0 306.366 1.470 20 5 DDBDRO C[C@]1(C[NH3+])CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000420247338 280154296 /nfs/dbraw/zinc/15/42/96/280154296.db2.gz UTGBHDKBNFRKFE-CQSZACIVSA-N 1 0 303.322 1.820 20 5 DDBDRO C[NH2+][C@@H]1CCN(S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])C1 ZINC000122798314 281161834 /nfs/dbraw/zinc/16/18/34/281161834.db2.gz PQNSOGIUUZFSHH-LLVKDONJSA-N 1 0 313.379 1.194 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@](C)(C[NH3+])C1CC1 ZINC000430551008 281261116 /nfs/dbraw/zinc/26/11/16/281261116.db2.gz HJXWJODOLSDNLW-OAHLLOKOSA-N 1 0 306.366 1.559 20 5 DDBDRO Cc1c(NC(=O)C(=O)NCC[NH2+]C(C)(C)C)cccc1[N+](=O)[O-] ZINC000128025375 281295899 /nfs/dbraw/zinc/29/58/99/281295899.db2.gz PYQGGLCKDUDPFL-UHFFFAOYSA-N 1 0 322.365 1.346 20 5 DDBDRO CC1(C)C[C@@H]([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)C(C)(C)O1 ZINC000119824751 281317894 /nfs/dbraw/zinc/31/78/94/281317894.db2.gz HXLIYHBUHABDPO-GFCCVEGCSA-N 1 0 309.366 1.692 20 5 DDBDRO C[C@H]1CCCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])[C@H]1C[NH3+] ZINC000252182975 290452339 /nfs/dbraw/zinc/45/23/39/290452339.db2.gz QIGRYEMXKVRTBS-JQWIXIFHSA-N 1 0 313.379 1.343 20 5 DDBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])nn2C)C1 ZINC000357042855 298949633 /nfs/dbraw/zinc/94/96/33/298949633.db2.gz SNSMYEYBTWDADC-LLVKDONJSA-N 1 0 309.370 1.132 20 5 DDBDRO C[C@@H](CNC(=O)c1nn(C)cc1[N+](=O)[O-])[N@@H+]1CCCC[C@@H]1C ZINC000357965271 299034992 /nfs/dbraw/zinc/03/49/92/299034992.db2.gz QTTVCIBXTITYGH-QWRGUYRKSA-N 1 0 309.370 1.321 20 5 DDBDRO O=C(c1ccc([N+](=O)[O-])cn1)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363877255 300320068 /nfs/dbraw/zinc/32/00/68/300320068.db2.gz UGILMMBVZONAEV-NJZAAPMLSA-N 1 0 316.361 1.546 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CC[C@H]([NH+]3CC=CC3)C2)c2nonc21 ZINC000364296466 300371299 /nfs/dbraw/zinc/37/12/99/300371299.db2.gz CLFIVMXLFCAEQO-JTQLQIEISA-N 1 0 301.306 1.582 20 5 DDBDRO CC[NH2+]CC1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000574917298 304697610 /nfs/dbraw/zinc/69/76/10/304697610.db2.gz FQUAOMTUBZOJLC-UHFFFAOYSA-N 1 0 306.366 1.639 20 5 DDBDRO O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)c1ccc([N+](=O)[O-])cc1Cl ZINC000368385505 301016109 /nfs/dbraw/zinc/01/61/09/301016109.db2.gz ORHGZYRFFXWQFK-YUMQZZPRSA-N 1 0 301.705 1.678 20 5 DDBDRO Nc1c(C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000368484772 301038031 /nfs/dbraw/zinc/03/80/31/301038031.db2.gz ZJPVZJSGECIPBZ-WCQGTBRESA-N 1 0 304.350 1.376 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3CC[N@H+](C)[C@@H]3C2)c1 ZINC000368590609 301060022 /nfs/dbraw/zinc/06/00/22/301060022.db2.gz KZNRBRWFFIZYPJ-XHDPSFHLSA-N 1 0 319.361 1.770 20 5 DDBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)Cc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000368596676 301061105 /nfs/dbraw/zinc/06/11/05/301061105.db2.gz VVHQXTMTTFQXKN-WFASDCNBSA-N 1 0 303.362 1.690 20 5 DDBDRO CCOCC[C@H](O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000369681410 301211812 /nfs/dbraw/zinc/21/18/12/301211812.db2.gz LKUQNKXXSNEADO-ZDUSSCGKSA-N 1 0 312.370 1.216 20 5 DDBDRO COC[C@@H]1CCCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000369946821 301245309 /nfs/dbraw/zinc/24/53/09/301245309.db2.gz COEHPQJDQYTXPG-CYBMUJFWSA-N 1 0 309.366 1.505 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CCN(C[C@@H](O)c3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000370148576 301283406 /nfs/dbraw/zinc/28/34/06/301283406.db2.gz BFQHNSYPOOGNPN-UHOFOFEASA-N 1 0 305.378 1.654 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(N2C[C@@H](C[NH3+])C3(C2)CCOCC3)n1 ZINC000420262266 301855883 /nfs/dbraw/zinc/85/58/83/301855883.db2.gz ALIKTASXDCWRKQ-GFCCVEGCSA-N 1 0 306.366 1.490 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(C)(C)CC[NH3+] ZINC000397176444 302352566 /nfs/dbraw/zinc/35/25/66/302352566.db2.gz GVEJEFSNNPOISO-UHFFFAOYSA-N 1 0 301.368 1.309 20 5 DDBDRO CCOc1ccc(NC(=O)CN(C)CC[NH2+]C)c([N+](=O)[O-])c1 ZINC000420341623 302383687 /nfs/dbraw/zinc/38/36/87/302383687.db2.gz UTHROTSNRKIIJK-UHFFFAOYSA-N 1 0 310.354 1.083 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C2(c3ccc(F)cc3)CC2)c1 ZINC000440293009 302390003 /nfs/dbraw/zinc/39/00/03/302390003.db2.gz OUEZLNWKODQOAF-AWEZNQCLSA-N 1 0 320.324 1.570 20 5 DDBDRO [NH3+]C[C@@H]1CCCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000517098721 302806916 /nfs/dbraw/zinc/80/69/16/302806916.db2.gz HUUFRPLTDXMOOX-ZDUSSCGKSA-N 1 0 306.366 1.518 20 5 DDBDRO O=[N+]([O-])c1c(N2CCC[C@@]3(CC[NH2+]C3)C2)nc2sccn21 ZINC000518348487 302824681 /nfs/dbraw/zinc/82/46/81/302824681.db2.gz QMTLSYPRSZKOIZ-ZDUSSCGKSA-N 1 0 307.379 1.884 20 5 DDBDRO Cc1ccc(C[NH+](C)C)cc1NC(=O)c1cc([N+](=O)[O-])nn1C ZINC000356727681 306861665 /nfs/dbraw/zinc/86/16/65/306861665.db2.gz DDTCSIWCEYQWQV-UHFFFAOYSA-N 1 0 317.349 1.951 20 5 DDBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532144532 303277202 /nfs/dbraw/zinc/27/72/02/303277202.db2.gz DVOVTOPTIUOTAF-GFCCVEGCSA-N 1 0 306.366 1.984 20 5 DDBDRO COC[C@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)C(C)C ZINC000542524880 303441292 /nfs/dbraw/zinc/44/12/92/303441292.db2.gz DQOWAOZUNVUYJM-GJZGRUSLSA-N 1 0 321.377 1.961 20 5 DDBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]C[C@H]2CC[C@@H](CO)O2)n1 ZINC000559869909 303795651 /nfs/dbraw/zinc/79/56/51/303795651.db2.gz DDYLXYDAFKTFCR-RFGFWPKPSA-N 1 0 324.381 1.405 20 5 DDBDRO CC(C)N(C)C(=O)C1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000358259244 306936496 /nfs/dbraw/zinc/93/64/96/306936496.db2.gz GYIZIWLUYXAYPD-UHFFFAOYSA-N 1 0 323.397 1.370 20 5 DDBDRO CC(C)(O)C[N@@H+]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000366678381 307079450 /nfs/dbraw/zinc/07/94/50/307079450.db2.gz LYOZLCAJFMWHBA-UHFFFAOYSA-N 1 0 321.377 1.514 20 5 DDBDRO Nc1c(C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc(F)cc1[N+](=O)[O-] ZINC000368613667 307106311 /nfs/dbraw/zinc/10/63/11/307106311.db2.gz NULJHQLIQYWKMX-XXILOJSOSA-N 1 0 322.340 1.516 20 5 DDBDRO CCN(C)C(=O)CC[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369001204 307113951 /nfs/dbraw/zinc/11/39/51/307113951.db2.gz KZNTXMAKBHAXMF-LBPRGKRZSA-N 1 0 309.370 1.297 20 5 DDBDRO O=[N+]([O-])c1cnn([C@H]2CCCN(CCC[NH+]3CCCC3)C2)c1 ZINC000372279708 307167264 /nfs/dbraw/zinc/16/72/64/307167264.db2.gz APZFUQOTTBUFEZ-AWEZNQCLSA-N 1 0 307.398 1.914 20 5 DDBDRO NC(=O)c1ccc(C[NH2+][C@H](CO)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000543840200 307712281 /nfs/dbraw/zinc/71/22/81/307712281.db2.gz RBDMOTAPRUPPCZ-CQSZACIVSA-N 1 0 321.377 1.725 20 5 DDBDRO COc1ccc(CC(=O)N2[C@@H](C)C[NH+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000559320866 307901603 /nfs/dbraw/zinc/90/16/03/307901603.db2.gz PEQZPSRRGIIQBX-RYUDHWBXSA-N 1 0 321.377 1.697 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC(CC[NH3+])CC1 ZINC000563275011 307962953 /nfs/dbraw/zinc/96/29/53/307962953.db2.gz DPSWYNUCYNONGO-UHFFFAOYSA-N 1 0 320.393 1.903 20 5 DDBDRO CC1(C)SC[C@H]1[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000566129668 308045407 /nfs/dbraw/zinc/04/54/07/308045407.db2.gz HEYVOHIOTPECFN-ZWNOBZJWSA-N 1 0 312.391 1.818 20 5 DDBDRO CCn1ccc(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])n1 ZINC000567694226 308091132 /nfs/dbraw/zinc/09/11/32/308091132.db2.gz LMKHGTNFWMXASN-UHFFFAOYSA-N 1 0 317.349 1.930 20 5 DDBDRO CC[C@@H]1C[C@@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000572149685 308213215 /nfs/dbraw/zinc/21/32/15/308213215.db2.gz OTQAJVGAFSSZMN-NWANDNLSSA-N 1 0 324.377 1.882 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CC1CC(F)(F)C1 ZINC000573714342 308250619 /nfs/dbraw/zinc/25/06/19/308250619.db2.gz ZRJUCJJFZCNSRB-NSHDSACASA-N 1 0 316.304 1.969 20 5 DDBDRO CC(C)(O)CC[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000576937856 308350742 /nfs/dbraw/zinc/35/07/42/308350742.db2.gz XXXOHMDHMMBIMY-UHFFFAOYSA-N 1 0 316.379 1.119 20 5 DDBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000576974355 308353681 /nfs/dbraw/zinc/35/36/81/308353681.db2.gz ZDJLATICECYHGE-SNVBAGLBSA-N 1 0 321.333 1.490 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](CC[NH3+])C(F)F ZINC000383299782 325748915 /nfs/dbraw/zinc/74/89/15/325748915.db2.gz NJPVKHLMORJBGQ-SECBINFHSA-N 1 0 323.321 1.164 20 5 DDBDRO CN(C1CC([NH3+])C1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000384934757 325753158 /nfs/dbraw/zinc/75/31/58/325753158.db2.gz DIAJBLTWOWMCRW-UHFFFAOYSA-N 1 0 319.770 1.358 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]Cc1ccccn1 ZINC000583708800 337095023 /nfs/dbraw/zinc/09/50/23/337095023.db2.gz ZWUPMBULKUUVSF-CYBMUJFWSA-N 1 0 303.318 1.519 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CCCC2(O)CCC2)c1 ZINC000583867483 337361616 /nfs/dbraw/zinc/36/16/16/337361616.db2.gz MRSCIHWHMHTFGQ-CQSZACIVSA-N 1 0 324.377 1.619 20 5 DDBDRO Cc1c(CNC(=O)N2CC[C@H]([C@H](C)[NH3+])C2)cccc1[N+](=O)[O-] ZINC000418078412 533855973 /nfs/dbraw/zinc/85/59/73/533855973.db2.gz JHEWAKQMUWFDQN-AAEUAGOBSA-N 1 0 306.366 1.782 20 5 DDBDRO C[C@H]1C[C@@H](C[NH3+])CN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000447246461 534081362 /nfs/dbraw/zinc/08/13/62/534081362.db2.gz OSPVXTODOBEUKQ-YUMQZZPRSA-N 1 0 305.381 1.014 20 5 DDBDRO COc1ccc(NC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000415452612 534134257 /nfs/dbraw/zinc/13/42/57/534134257.db2.gz YQFAPEQUFVSULY-VHSXEESVSA-N 1 0 308.338 1.995 20 5 DDBDRO C[C@@H]1[NH2+]CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@H]1C ZINC000436051730 534129948 /nfs/dbraw/zinc/12/99/48/534129948.db2.gz BHPWCIOIMSPPOU-RYUDHWBXSA-N 1 0 318.377 1.166 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCC[N@@H+]2CCCOCC2)c1 ZINC000445667733 534245683 /nfs/dbraw/zinc/24/56/83/534245683.db2.gz HNULSTRDYLOWRS-UHFFFAOYSA-N 1 0 323.349 1.516 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC000452344049 534333203 /nfs/dbraw/zinc/33/32/03/534333203.db2.gz CEPBCOXNDTVKRL-CQSZACIVSA-N 1 0 321.377 1.480 20 5 DDBDRO COc1cc(C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000334041728 536521798 /nfs/dbraw/zinc/52/17/98/536521798.db2.gz AGAMPOAMTMBBCM-JQWIXIFHSA-N 1 0 307.350 1.816 20 5 DDBDRO CCOC(=O)[C@H]1NCC[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000423069879 528095109 /nfs/dbraw/zinc/09/51/09/528095109.db2.gz FHFMFSZZQAGANI-OCCSQVGLSA-N 1 0 307.350 1.286 20 5 DDBDRO CC[NH2+]CCNC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000417715579 528311908 /nfs/dbraw/zinc/31/19/08/528311908.db2.gz KDCONRAAYNPHFZ-UHFFFAOYSA-N 1 0 308.382 1.826 20 5 DDBDRO CCC[C@H]1C[NH2+]CCN1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000417233106 528410723 /nfs/dbraw/zinc/41/07/23/528410723.db2.gz NLMCPUOFBQKMNL-HNNXBMFYSA-N 1 0 320.393 1.921 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000424056186 528692580 /nfs/dbraw/zinc/69/25/80/528692580.db2.gz RWTIOEQMEHQODC-UHFFFAOYSA-N 1 0 319.361 1.962 20 5 DDBDRO CC[N@@H+]1CCN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C[C@H]1C ZINC000825466206 607821929 /nfs/dbraw/zinc/82/19/29/607821929.db2.gz XDKNXDXSXUGBLN-SNVBAGLBSA-N 1 0 317.353 1.305 20 5 DDBDRO C[NH+](C)C1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000063735341 696330401 /nfs/dbraw/zinc/33/04/01/696330401.db2.gz DGPLACYRVVNHKK-UHFFFAOYSA-N 1 0 322.321 1.669 20 5 DDBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@H](O)c2ccc(F)cn2)cc1 ZINC000799613846 700153387 /nfs/dbraw/zinc/15/33/87/700153387.db2.gz ZFMVGOQKWTWHDL-HNNXBMFYSA-N 1 0 305.309 1.995 20 5 DDBDRO CC[N@@H+]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000194628712 697717133 /nfs/dbraw/zinc/71/71/33/697717133.db2.gz PULFHUKJEDASLK-NSHDSACASA-N 1 0 322.321 1.717 20 5 DDBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N)C[NH+]1CCCC1 ZINC000195175029 697733785 /nfs/dbraw/zinc/73/37/85/697733785.db2.gz UGHQWZMQXSGXGX-LLVKDONJSA-N 1 0 306.366 1.639 20 5 DDBDRO CO[C@H]1CN(Cn2nc(C)c3cc([N+](=O)[O-])cnc32)CC[C@@H]1C ZINC000783969072 698896449 /nfs/dbraw/zinc/89/64/49/698896449.db2.gz RYPGQAHNVPSBMJ-HZMBPMFUSA-N 1 0 319.365 1.962 20 5 DDBDRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)OCCn1cc([N+](=O)[O-])ccc1=O ZINC000785728512 699095521 /nfs/dbraw/zinc/09/55/21/699095521.db2.gz IDNPGBUMOUGYRG-TXEJJXNPSA-N 1 0 323.349 1.173 20 5 DDBDRO O=C(CCN1CC[C@]2(CCC[NH2+]2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000420395374 699139034 /nfs/dbraw/zinc/13/90/34/699139034.db2.gz BQXHKVFTQLOJIF-MRXNPFEDSA-N 1 0 318.377 1.751 20 5 DDBDRO [NH3+]C[C@H](NC(=O)c1cccc(Cl)c1[N+](=O)[O-])C(F)(F)F ZINC000701067751 699225634 /nfs/dbraw/zinc/22/56/34/699225634.db2.gz IEUFAVWNRXQPIN-ZETCQYMHSA-N 1 0 311.647 1.868 20 5 DDBDRO C[NH+](C)C[C@@H](O)CNc1ncc(Br)cc1[N+](=O)[O-] ZINC000717403997 699288734 /nfs/dbraw/zinc/28/87/34/699288734.db2.gz ZDTQLSDSOSJCFZ-QMMMGPOBSA-N 1 0 319.159 1.087 20 5 DDBDRO O=C1CCc2cc([N+](=O)[O-])c(N3C[C@@H]4C[NH2+]C[C@H]4C3)cc2N1 ZINC000725787103 699334080 /nfs/dbraw/zinc/33/40/80/699334080.db2.gz AITOPVZRLUXGGB-QWRGUYRKSA-N 1 0 302.334 1.135 20 5 DDBDRO CN(c1nc2ccccn2c1[N+](=O)[O-])[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000733192174 699582727 /nfs/dbraw/zinc/58/27/27/699582727.db2.gz XFZXCUCSDDSDLF-GFCCVEGCSA-N 1 0 301.350 1.915 20 5 DDBDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000794576586 699817464 /nfs/dbraw/zinc/81/74/64/699817464.db2.gz KOZYBHYTBVIACK-MCIONIFRSA-N 1 0 307.350 1.133 20 5 DDBDRO CN(Cn1c(=O)oc2cccc([N+](=O)[O-])c21)[C@@H]1CCSC1 ZINC000794637309 699820503 /nfs/dbraw/zinc/82/05/03/699820503.db2.gz UONHTGAWNYSJEJ-SECBINFHSA-N 1 0 309.347 1.898 20 5 DDBDRO CO[C@H]1C[C@@H]([N@H+](C)Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C1 ZINC000795673085 699882844 /nfs/dbraw/zinc/88/28/44/699882844.db2.gz RIZLYLZPOOSMBC-KLPPZKSPSA-N 1 0 305.338 1.715 20 5 DDBDRO C[C@@H]1OCC[C@@H]1[N@H+](CCO)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000796578715 699940038 /nfs/dbraw/zinc/94/00/38/699940038.db2.gz JXQYSNFJMUYYFS-CQDKDKBSSA-N 1 0 310.350 1.100 20 5 DDBDRO CCOC(=O)[C@H](C)[C@H](C)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000801542032 700318878 /nfs/dbraw/zinc/31/88/78/700318878.db2.gz XKKQAQLSBXQVRE-SUNKGSAMSA-N 1 0 310.350 1.806 20 5 DDBDRO CC(C)CC1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000760927080 700829824 /nfs/dbraw/zinc/82/98/24/700829824.db2.gz SBTKEQJRAYIWGS-HNNXBMFYSA-N 1 0 310.398 1.910 20 5 DDBDRO C[C@@H]1CN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC[N@@H+]1C ZINC000761081932 700841631 /nfs/dbraw/zinc/84/16/31/700841631.db2.gz OWNYBOAZBLSBQQ-LLVKDONJSA-N 1 0 307.350 1.597 20 5 DDBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000762720665 700904529 /nfs/dbraw/zinc/90/45/29/700904529.db2.gz YPCWMVQWVDHTRT-ONOODXEBSA-N 1 0 319.361 1.181 20 5 DDBDRO Cn1ccnc1[C@@H]1CC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000767116955 701085049 /nfs/dbraw/zinc/08/50/49/701085049.db2.gz OSEKGCIFCAJLBZ-UKRRQHHQSA-N 1 0 316.361 1.851 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)N[C@@H](C[NH+](C)C)C(C)C)c1[N+](=O)[O-] ZINC000771496684 701321838 /nfs/dbraw/zinc/32/18/38/701321838.db2.gz YNNMCWDTYDCPSJ-JTQLQIEISA-N 1 0 311.386 1.757 20 5 DDBDRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839826354 701840901 /nfs/dbraw/zinc/84/09/01/701840901.db2.gz SKWVRAOQFDKMQS-DGCLKSJQSA-N 1 0 323.349 1.239 20 5 DDBDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815600408 701902254 /nfs/dbraw/zinc/90/22/54/701902254.db2.gz SLVHPGYLASAVMS-XWIASGKRSA-N 1 0 306.366 1.742 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@H]2[C@H](O)c2ccccc2)n1 ZINC000879244224 706627579 /nfs/dbraw/zinc/62/75/79/706627579.db2.gz PHSWNPLSDZTMLH-GOEBONIOSA-N 1 0 316.361 1.989 20 5 DDBDRO Cc1nn(C[N@@H+]2CCC[C@@H]2[C@H]2CCC[C@@H]2O)c(C)c1[N+](=O)[O-] ZINC000840118317 701978137 /nfs/dbraw/zinc/97/81/37/701978137.db2.gz DBDZOADAHRXHMU-MCIONIFRSA-N 1 0 308.382 1.991 20 5 DDBDRO COc1ccc(CNC(=O)NCCCCCC[NH3+])cc1[N+](=O)[O-] ZINC000831110294 706636477 /nfs/dbraw/zinc/63/64/77/706636477.db2.gz LTEURDIBVWMMMN-UHFFFAOYSA-N 1 0 324.381 1.922 20 5 DDBDRO C[C@@](CO)([NH2+]C[C@@H]1COC(C)(C)O1)c1cccc([N+](=O)[O-])c1 ZINC000879273321 706636512 /nfs/dbraw/zinc/63/65/12/706636512.db2.gz TZGMXRNUMWFPML-HIFRSBDPSA-N 1 0 310.350 1.543 20 5 DDBDRO COc1cccc(C(=O)N2C[C@@H]3CC[N@H+](C)C[C@@H]3C2)c1[N+](=O)[O-] ZINC000812344583 702167054 /nfs/dbraw/zinc/16/70/54/702167054.db2.gz VUCXKKFQPJZQBM-NWDGAFQWSA-N 1 0 319.361 1.627 20 5 DDBDRO CC[NH+](CC)CC(C)(C)COC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000813152025 702305755 /nfs/dbraw/zinc/30/57/55/702305755.db2.gz BZTRHOTVMNCXQX-UHFFFAOYSA-N 1 0 312.370 1.703 20 5 DDBDRO CO[C@@H](C[NH3+])CC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000831217622 706659967 /nfs/dbraw/zinc/65/99/67/706659967.db2.gz DAQKDDVJYWADOF-SNVBAGLBSA-N 1 0 301.730 1.228 20 5 DDBDRO C[C@H](CC[NH3+])NC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000841204669 702387848 /nfs/dbraw/zinc/38/78/48/702387848.db2.gz WOPQNAAJURXLPE-SSDOTTSWSA-N 1 0 314.729 1.040 20 5 DDBDRO Nc1ccc(C(=O)N2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000818002362 702549141 /nfs/dbraw/zinc/54/91/41/702549141.db2.gz XEBIYCRYFWVYEU-TZMCWYRMSA-N 1 0 318.377 1.781 20 5 DDBDRO CC(C)[C@H]1CN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])CC[NH2+]1 ZINC000869330849 702571075 /nfs/dbraw/zinc/57/10/75/702571075.db2.gz RLSRTXFVJXRMIK-CYBMUJFWSA-N 1 0 309.341 1.733 20 5 DDBDRO CC1([NH3+])CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000842774085 702771720 /nfs/dbraw/zinc/77/17/20/702771720.db2.gz XSXZFVPTIICYOC-UHFFFAOYSA-N 1 0 317.342 1.236 20 5 DDBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000842882150 702786508 /nfs/dbraw/zinc/78/65/08/702786508.db2.gz OTMRHWKWDWMHLG-YUMQZZPRSA-N 1 0 321.786 1.571 20 5 DDBDRO Cc1cc(Cl)c(S(=O)(=O)N[C@@H](C)[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000842881675 702786612 /nfs/dbraw/zinc/78/66/12/702786612.db2.gz LNGTULUUJPQNIK-YUMQZZPRSA-N 1 0 321.786 1.571 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@@H](CO)c2cccnc2)c1 ZINC000843083487 702815390 /nfs/dbraw/zinc/81/53/90/702815390.db2.gz PKACGWLCIMALGS-GOEBONIOSA-N 1 0 317.345 1.389 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@H](CO)CN2CCCCC2)cc1 ZINC000843112601 702821282 /nfs/dbraw/zinc/82/12/82/702821282.db2.gz IRMFVOHOFICZPS-HOCLYGCPSA-N 1 0 323.393 1.065 20 5 DDBDRO Nc1ccc(-c2noc(CC[C@@H]3CCC[NH2+]3)n2)cc1[N+](=O)[O-] ZINC000843169766 702832435 /nfs/dbraw/zinc/83/24/35/702832435.db2.gz OZHPKMKBHDDLFP-JTQLQIEISA-N 1 0 303.322 1.912 20 5 DDBDRO C[C@]1(c2nc(CCNc3ccccc3[N+](=O)[O-])no2)CC[NH2+]C1 ZINC000843184727 702835973 /nfs/dbraw/zinc/83/59/73/702835973.db2.gz IUFDXPRCRSIPIM-HNNXBMFYSA-N 1 0 317.349 1.883 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CCC[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000843323276 702859273 /nfs/dbraw/zinc/85/92/73/702859273.db2.gz UEOVWOVKGGDEMO-SNVBAGLBSA-N 1 0 322.321 1.622 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)cc1[N+](=O)[O-] ZINC000843455380 702885425 /nfs/dbraw/zinc/88/54/25/702885425.db2.gz NOPPKFNIIJHILP-BDAKNGLRSA-N 1 0 322.321 1.634 20 5 DDBDRO C[C@@H](CC[NH3+])NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000843455111 702885507 /nfs/dbraw/zinc/88/55/07/702885507.db2.gz IIWXAHUFZVNLFS-ZETCQYMHSA-N 1 0 303.721 1.783 20 5 DDBDRO [NH3+]CCCCCCC(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000843492708 702892902 /nfs/dbraw/zinc/89/29/02/702892902.db2.gz VZJNIPLEYCCVJT-UHFFFAOYSA-N 1 0 306.366 1.784 20 5 DDBDRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000831546036 706728882 /nfs/dbraw/zinc/72/88/82/706728882.db2.gz HZGXMDVFBXNDEX-WDEREUQCSA-N 1 0 317.349 1.153 20 5 DDBDRO CC(C)C[N@H+](C)CCCNC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000846290446 703262606 /nfs/dbraw/zinc/26/26/06/703262606.db2.gz CKJNDYGBWJJBHT-UHFFFAOYSA-N 1 0 309.370 1.280 20 5 DDBDRO CC1(C)C[C@@H](O)C[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000879622166 706741797 /nfs/dbraw/zinc/74/17/97/706741797.db2.gz IHNSPQZQNGNIAU-CHWSQXEVSA-N 1 0 324.377 1.427 20 5 DDBDRO O=[N+]([O-])c1ccc(Cc2noc([C@@H]3C[C@]34CCC[NH2+]C4)n2)nc1 ZINC000848624187 703569584 /nfs/dbraw/zinc/56/95/84/703569584.db2.gz RKYRFWMMZQJDSW-WFASDCNBSA-N 1 0 315.333 1.821 20 5 DDBDRO O=[N+]([O-])c1ccc(C[NH2+]CC[S@](=O)CC(F)(F)F)cc1 ZINC000850349628 703726346 /nfs/dbraw/zinc/72/63/46/703726346.db2.gz HWKNKRQGQDRXPL-FQEVSTJZSA-N 1 0 310.297 1.995 20 5 DDBDRO C[NH2+]C[C@H](C)NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000850593536 703738549 /nfs/dbraw/zinc/73/85/49/703738549.db2.gz VIRUIBMVQVLNHX-ZETCQYMHSA-N 1 0 307.759 1.134 20 5 DDBDRO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000866678628 706762450 /nfs/dbraw/zinc/76/24/50/706762450.db2.gz DGOFVMGMOFYKCC-QXEWZRGKSA-N 1 0 324.768 1.621 20 5 DDBDRO Nc1ccc(C(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000831734484 706766175 /nfs/dbraw/zinc/76/61/75/706766175.db2.gz HEIXRHOPNHBKNF-QWHCGFSZSA-N 1 0 318.377 1.639 20 5 DDBDRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000818579978 703929581 /nfs/dbraw/zinc/92/95/81/703929581.db2.gz YHUFNLIJKQKPPS-GWCFXTLKSA-N 1 0 317.349 1.059 20 5 DDBDRO CC(C)(C)C(=O)NCC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818989083 704044350 /nfs/dbraw/zinc/04/43/50/704044350.db2.gz IGIPTDTXMLFUCH-ZDUSSCGKSA-N 1 0 309.366 1.380 20 5 DDBDRO COCCN1CCC[C@@H]1C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819018840 704052774 /nfs/dbraw/zinc/05/27/74/704052774.db2.gz YNOSNRDUXYMBEC-HZPDHXFCSA-N 1 0 323.393 1.329 20 5 DDBDRO CC(C)(C)N1C[C@@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1=O ZINC000819127597 704072983 /nfs/dbraw/zinc/07/29/83/704072983.db2.gz UYNWJHZBBBLZCP-JSGCOSHPSA-N 1 0 321.377 1.617 20 5 DDBDRO CCOC(=O)C[C@@H](C)C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819193959 704084395 /nfs/dbraw/zinc/08/43/95/704084395.db2.gz MYQATBQZSYWYJH-BXUZGUMPSA-N 1 0 310.350 1.807 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H]2CCn3ccnc3C2)c1 ZINC000819244906 704094016 /nfs/dbraw/zinc/09/40/16/704094016.db2.gz PNMPPRZEINLNDW-OCCSQVGLSA-N 1 0 302.334 1.429 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H]2CCc3nc[nH]c3C2)cc1 ZINC000819321972 704107331 /nfs/dbraw/zinc/10/73/31/704107331.db2.gz OGRPXRRHNZKITM-XHDPSFHLSA-N 1 0 302.334 1.498 20 5 DDBDRO CCC[C@H](C)C(=O)NCC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819328672 704108192 /nfs/dbraw/zinc/10/81/92/704108192.db2.gz CXGFLOAPXWZHDY-SWLSCSKDSA-N 1 0 323.393 1.770 20 5 DDBDRO COc1ccncc1C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819328122 704108318 /nfs/dbraw/zinc/10/83/18/704108318.db2.gz DDXMBYSFUHZAGK-AWEZNQCLSA-N 1 0 303.318 1.822 20 5 DDBDRO C[C@@]([NH3+])(C(=O)NCC[C@H]1CC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000870959097 704182281 /nfs/dbraw/zinc/18/22/81/704182281.db2.gz TYKXAXYRIAVTBB-GWCFXTLKSA-N 1 0 313.304 1.930 20 5 DDBDRO CC[C@H](CO)[NH+]1CCN(c2cc(OC)c(C)cc2[N+](=O)[O-])CC1 ZINC000853391004 704237973 /nfs/dbraw/zinc/23/79/73/704237973.db2.gz VZLLVZIYKXJLRE-CYBMUJFWSA-N 1 0 323.393 1.805 20 5 DDBDRO CC[N@H+](C)C[C@@H](O)CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000821341805 704393583 /nfs/dbraw/zinc/39/35/83/704393583.db2.gz FMUILUOTTFVXCO-MRXNPFEDSA-N 1 0 322.409 1.029 20 5 DDBDRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)[C@@H]3C[C@@H]3c3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC000821756819 704438947 /nfs/dbraw/zinc/43/89/47/704438947.db2.gz AWFYBCSQAVMDPY-SUJAAXHWSA-N 1 0 315.373 1.717 20 5 DDBDRO CN(C)c1cc(F)c(C(=O)N2CC(C[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000854722430 704444216 /nfs/dbraw/zinc/44/42/16/704444216.db2.gz WOLHQMHXLJJGLY-UHFFFAOYSA-N 1 0 324.356 1.434 20 5 DDBDRO C[C@@H]1CN(C(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000857765066 704622179 /nfs/dbraw/zinc/62/21/79/704622179.db2.gz KAYHVQWFHYZVJJ-SECBINFHSA-N 1 0 315.276 1.387 20 5 DDBDRO [NH3+]CCCOCCNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000859615343 704951763 /nfs/dbraw/zinc/95/17/63/704951763.db2.gz IKNHKUMLSAIKSL-UHFFFAOYSA-N 1 0 316.745 1.735 20 5 DDBDRO COCCN(CC[NH+](C)C)C(=O)c1c(C)ccc([N+](=O)[O-])c1C ZINC000874383751 705029517 /nfs/dbraw/zinc/02/95/17/705029517.db2.gz GOAXRSWKEFGOFM-UHFFFAOYSA-N 1 0 323.393 1.862 20 5 DDBDRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000874836564 705193957 /nfs/dbraw/zinc/19/39/57/705193957.db2.gz GJWXXFVAYULFIT-CABCVRRESA-N 1 0 303.362 1.832 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3C)c1 ZINC000874846002 705200274 /nfs/dbraw/zinc/20/02/74/705200274.db2.gz XBZSUSUIASOXQE-LSDHHAIUSA-N 1 0 319.361 1.912 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[N@@H+](C)[C@H](C(C)(C)C)C1 ZINC000824221300 705402438 /nfs/dbraw/zinc/40/24/38/705402438.db2.gz FRPCMBBPWOBEGM-LBPRGKRZSA-N 1 0 323.397 1.288 20 5 DDBDRO CO[C@@H]1C[N@H+](C)[C@](C)(COC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000861340624 705433476 /nfs/dbraw/zinc/43/34/76/705433476.db2.gz KGMBBXXQNQFZRZ-ZFWWWQNUSA-N 1 0 308.334 1.861 20 5 DDBDRO CCN(C(=O)Cn1c(C)ncc1[N+](=O)[O-])[C@@H]1CC[N@H+](CC)C1 ZINC000825017873 705578440 /nfs/dbraw/zinc/57/84/40/705578440.db2.gz BXURNXPBOMFLOK-GFCCVEGCSA-N 1 0 309.370 1.042 20 5 DDBDRO O=C(NC[C@@H]1C[NH2+]CCCO1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000825183079 705619171 /nfs/dbraw/zinc/61/91/71/705619171.db2.gz HPAIWXQGTSWOFN-VIFPVBQESA-N 1 0 313.741 1.357 20 5 DDBDRO C[N@H+](CCNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000825722251 705722192 /nfs/dbraw/zinc/72/21/92/705722192.db2.gz VSJFELKXXCTGTQ-HNNXBMFYSA-N 1 0 321.377 1.619 20 5 DDBDRO O=C1[C@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CCN1C1CCC1 ZINC000863591311 705965842 /nfs/dbraw/zinc/96/58/42/705965842.db2.gz XGAAXGWXRANLPV-CABCVRRESA-N 1 0 319.361 1.371 20 5 DDBDRO C[N@@H+]1CC[C@H]2CN(C(=O)c3ccc(F)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000827300686 705971818 /nfs/dbraw/zinc/97/18/18/705971818.db2.gz NCAPKWQUKMILIL-GWCFXTLKSA-N 1 0 307.325 1.900 20 5 DDBDRO C[N@@H+]1CC[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3F)CC[C@@H]21 ZINC000827339433 705979890 /nfs/dbraw/zinc/97/98/90/705979890.db2.gz TUPMZCUBSQPLLA-HZMBPMFUSA-N 1 0 307.325 1.900 20 5 DDBDRO O=[N+]([O-])c1ccc(Cc2noc([C@H](F)[C@@H]3CC[NH2+]C3)n2)nc1 ZINC000863663639 705980562 /nfs/dbraw/zinc/98/05/62/705980562.db2.gz GMYSEWXPBTWAQZ-PRHODGIISA-N 1 0 307.285 1.584 20 5 DDBDRO C[C@H]([NH3+])CN(C)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000877095797 705981390 /nfs/dbraw/zinc/98/13/90/705981390.db2.gz RTDMICYRGJVQGH-NSHDSACASA-N 1 0 306.366 1.614 20 5 DDBDRO CC[C@@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)[C@H](O)C(F)(F)F ZINC000877125836 705991665 /nfs/dbraw/zinc/99/16/65/705991665.db2.gz AYYPUJAEINSJMR-BRDNZBMFSA-N 1 0 322.287 1.786 20 5 DDBDRO C[C@@H](CC[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)[S@@](C)=O ZINC000877161468 706002522 /nfs/dbraw/zinc/00/25/22/706002522.db2.gz MAKXUKYZLBULOX-OUGCJMNSSA-N 1 0 300.384 1.242 20 5 DDBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000877399436 706096350 /nfs/dbraw/zinc/09/63/50/706096350.db2.gz RJVHUGISDZYHKI-ZBFHGGJFSA-N 1 0 318.377 1.798 20 5 DDBDRO COCc1nc(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)cs1 ZINC000877538850 706136597 /nfs/dbraw/zinc/13/65/97/706136597.db2.gz FMXUKGJBSQJYRU-UHFFFAOYSA-N 1 0 323.378 1.888 20 5 DDBDRO C[C@@H]1CN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@@H](C)CN1C ZINC000828249361 706146453 /nfs/dbraw/zinc/14/64/53/706146453.db2.gz ZZZUWWDCXBVOAY-SUNKGSAMSA-N 1 0 307.350 1.179 20 5 DDBDRO C[C@@H]([NH2+][C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CC1(F)F ZINC000877830815 706226594 /nfs/dbraw/zinc/22/65/94/706226594.db2.gz LDQMVCNJEAUDBP-GHORINQJSA-N 1 0 316.304 1.622 20 5 DDBDRO C[C@@H]1[C@H](NC(=O)CCc2cc(F)ccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000830112906 706457800 /nfs/dbraw/zinc/45/78/00/706457800.db2.gz UIILPSNCEFOTFC-ZWNOBZJWSA-N 1 0 309.341 1.875 20 5 DDBDRO C[C@H]1c2sccc2CC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000880377831 706956799 /nfs/dbraw/zinc/95/67/99/706956799.db2.gz GMMNFRWPBVZAQK-GWCFXTLKSA-N 1 0 322.390 1.833 20 5 DDBDRO COCCN(C)C(=[NH2+])NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000871605165 707137236 /nfs/dbraw/zinc/13/72/36/707137236.db2.gz JOUHGPOGEVBZOX-UHFFFAOYSA-N 1 0 314.773 1.893 20 5 DDBDRO O=[N+]([O-])c1ccc(F)cc1Cn1cc(C[C@H]2CC[NH2+]C2)nn1 ZINC000881225813 707158204 /nfs/dbraw/zinc/15/82/04/707158204.db2.gz GKGXPOGWMJNNDQ-SNVBAGLBSA-N 1 0 305.313 1.526 20 5 DDBDRO C[C@@H]1CN(C(=O)CCC(C)(C)[N+](=O)[O-])CCN1c1cc[nH+]cc1 ZINC000881631045 707309997 /nfs/dbraw/zinc/30/99/97/707309997.db2.gz QKRUASXNFBUORL-CYBMUJFWSA-N 1 0 320.393 1.954 20 5 DDBDRO COc1ccc(C(=O)N2CC[NH2+]CCC2(C)C)cc1[N+](=O)[O-] ZINC000872289971 707366817 /nfs/dbraw/zinc/36/68/17/707366817.db2.gz HIHORLWLRKDGMC-UHFFFAOYSA-N 1 0 307.350 1.818 20 5 DDBDRO O=[N+]([O-])c1cnc(N2C[C@@H]3CCC[N@H+]3C[C@@H]2CO)c(Cl)c1 ZINC000872757421 707586564 /nfs/dbraw/zinc/58/65/64/707586564.db2.gz BXRMXZLITMWNLR-GXSJLCMTSA-N 1 0 312.757 1.289 20 5 DDBDRO Cn1ccnc1[C@H](NC[C@H]1C[C@@H]([NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC000873249702 707784406 /nfs/dbraw/zinc/78/44/06/707784406.db2.gz MUGHOABSVOTZIO-OSAQELSMSA-N 1 0 315.377 1.745 20 5 DDBDRO C[C@@H]1CN(c2ncc([N+](=O)[O-])cn2)CCN1c1cc[nH+]cc1 ZINC000882822010 707809058 /nfs/dbraw/zinc/80/90/58/707809058.db2.gz QTQIXYCHVBROOZ-LLVKDONJSA-N 1 0 300.322 1.495 20 5 DDBDRO C[N@H+](CCNc1cc(Cl)ccc1[N+](=O)[O-])CCOCCO ZINC000882951662 707867321 /nfs/dbraw/zinc/86/73/21/707867321.db2.gz PHFWMDHORNFCJW-UHFFFAOYSA-N 1 0 317.773 1.601 20 5 DDBDRO CN1CC[C@@H]1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000896594969 708092358 /nfs/dbraw/zinc/09/23/58/708092358.db2.gz FDPPRDIIZMNDRL-CYBMUJFWSA-N 1 0 305.382 1.252 20 5 DDBDRO C[C@H](CNC(=O)NC[C@H]1CC[N@@H+]1C)c1ccccc1[N+](=O)[O-] ZINC000896619912 708099029 /nfs/dbraw/zinc/09/90/29/708099029.db2.gz OMGMOUBJDIKLFS-VXGBXAGGSA-N 1 0 306.366 1.702 20 5 DDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000896915077 708181879 /nfs/dbraw/zinc/18/18/79/708181879.db2.gz VVFOUTJZHIWMLV-MEDUHNTESA-N 1 0 318.377 1.342 20 5 DDBDRO CC[N@H+](CCC(=O)NC)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000897710619 708426796 /nfs/dbraw/zinc/42/67/96/708426796.db2.gz ZDADTLDQZZYRNI-UHFFFAOYSA-N 1 0 323.349 1.324 20 5 DDBDRO CCc1ccc(C(=O)N(C)CC[N@H+](C)CCO)cc1[N+](=O)[O-] ZINC000912606039 713045640 /nfs/dbraw/zinc/04/56/40/713045640.db2.gz IHJHAFNFZRPZJV-UHFFFAOYSA-N 1 0 309.366 1.153 20 5 DDBDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1Cc1cccnc1[N+](=O)[O-] ZINC000886176597 708710246 /nfs/dbraw/zinc/71/02/46/708710246.db2.gz HAIUUMGEKVZOPI-CYBMUJFWSA-N 1 0 320.393 1.675 20 5 DDBDRO CO[C@@H]1CCC[C@@H]([C@H](CO)[NH2+]Cc2cccnc2[N+](=O)[O-])C1 ZINC000886274568 708734415 /nfs/dbraw/zinc/73/44/15/708734415.db2.gz WIQUUUSAVOSUFN-BNOWGMLFSA-N 1 0 309.366 1.646 20 5 DDBDRO CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000886593529 708785328 /nfs/dbraw/zinc/78/53/28/708785328.db2.gz SPGWJKXLOOJURP-ZDUSSCGKSA-N 1 0 323.397 1.370 20 5 DDBDRO COc1cc(C(=O)N2CC([NH+]3CCCC3)C2)cc([N+](=O)[O-])c1C ZINC000898602887 708806790 /nfs/dbraw/zinc/80/67/90/708806790.db2.gz HBNONUYPPTYYNV-UHFFFAOYSA-N 1 0 319.361 1.832 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@@H](c3ncccn3)C2)c1 ZINC000886680636 708812481 /nfs/dbraw/zinc/81/24/81/708812481.db2.gz IWGGCZJXRAOFOR-GFCCVEGCSA-N 1 0 302.338 1.461 20 5 DDBDRO Cn1cc(COc2ccc3c(c2)CC[NH2+]CC3)c([N+](=O)[O-])n1 ZINC000899588551 709119710 /nfs/dbraw/zinc/11/97/10/709119710.db2.gz VTOYWJBBYIXHJF-UHFFFAOYSA-N 1 0 302.334 1.596 20 5 DDBDRO CC(C)COC[C@@H](O)C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000912762191 713087586 /nfs/dbraw/zinc/08/75/86/713087586.db2.gz KNMBLPPZVKYNGZ-GJZGRUSLSA-N 1 0 312.366 1.251 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@H](O)COCC2CC2)cc1 ZINC000912762133 713087624 /nfs/dbraw/zinc/08/76/24/713087624.db2.gz BXZDZTZDDGGZSK-LSDHHAIUSA-N 1 0 310.350 1.005 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CCC([NH+]3CCC3)CC2)n1 ZINC000912874762 713112697 /nfs/dbraw/zinc/11/26/97/713112697.db2.gz HEXGDELUDTXJSZ-UHFFFAOYSA-N 1 0 307.354 1.122 20 5 DDBDRO CNc1c(C(=O)N2CCC([NH+]3CCC3)CC2)cccc1[N+](=O)[O-] ZINC000912875163 713112766 /nfs/dbraw/zinc/11/27/66/713112766.db2.gz SZRRWFFFGPRRLI-UHFFFAOYSA-N 1 0 318.377 1.947 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)OC[C@H]1CCCC[N@H+]1C(C)C ZINC000910205630 709813824 /nfs/dbraw/zinc/81/38/24/709813824.db2.gz LXBYNPBMXIKZML-CYBMUJFWSA-N 1 0 324.381 1.906 20 5 DDBDRO Cc1ccc([C@H](C)NC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)cc1[N+](=O)[O-] ZINC000891651193 710257278 /nfs/dbraw/zinc/25/72/78/710257278.db2.gz XQUYSDBTWACNJP-DRZSPHRISA-N 1 0 304.350 1.720 20 5 DDBDRO C[NH+]1C[C@]2(C)CN(C(=O)c3ccc(N)c([N+](=O)[O-])c3)C[C@@]2(C)C1 ZINC000913295178 713193875 /nfs/dbraw/zinc/19/38/75/713193875.db2.gz RMEYXKMRQMEBFY-HZPDHXFCSA-N 1 0 318.377 1.591 20 5 DDBDRO C[C@H]1[C@@H](NC(=O)CN(C)c2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000928435836 713194820 /nfs/dbraw/zinc/19/48/20/713194820.db2.gz DEAFQGRXNCMFBS-RYUDHWBXSA-N 1 0 306.366 1.240 20 5 DDBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C[C@H](CO)[C@H]1CCOC1 ZINC000894189915 711008306 /nfs/dbraw/zinc/00/83/06/711008306.db2.gz LAQKEPQVMHWGMQ-NWDGAFQWSA-N 1 0 314.769 1.983 20 5 DDBDRO COc1cc([C@H](C)[NH2+]CCN2CCCC2=O)cc([N+](=O)[O-])c1 ZINC000903193083 711060259 /nfs/dbraw/zinc/06/02/59/711060259.db2.gz CCYLYXDLJHJXHW-NSHDSACASA-N 1 0 307.350 1.876 20 5 DDBDRO Cc1ccc([C@@H](C)[NH2+]CCCc2nnnn2C)cc1[N+](=O)[O-] ZINC000903344014 711098882 /nfs/dbraw/zinc/09/88/82/711098882.db2.gz MRTXEURHZGSDJI-LLVKDONJSA-N 1 0 304.354 1.710 20 5 DDBDRO CC[N@@H+]1CCN(Cc2ccc(O)c(OC)c2[N+](=O)[O-])[C@H](C)C1 ZINC000894406202 711106230 /nfs/dbraw/zinc/10/62/30/711106230.db2.gz OFHAQVJXUYSNKC-LLVKDONJSA-N 1 0 309.366 1.835 20 5 DDBDRO COc1c(O)ccc(C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000895102451 711412947 /nfs/dbraw/zinc/41/29/47/711412947.db2.gz YHQOEDPDCNHGFS-MFKMUULPSA-N 1 0 308.334 1.920 20 5 DDBDRO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)[C@@H]1C[N@H+](C)CCN1C ZINC000896570063 711754950 /nfs/dbraw/zinc/75/49/50/711754950.db2.gz XCFKTFONGULAJX-YGRLFVJLSA-N 1 0 324.356 1.098 20 5 DDBDRO CC[C@H](CN1CCOCC1)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000905551754 712074929 /nfs/dbraw/zinc/07/49/29/712074929.db2.gz LRTBGRZIFSEMIN-GDBMZVCRSA-N 1 0 323.393 1.329 20 5 DDBDRO C[C@H]1[C@H](NC(=O)NCCc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000914325479 713378736 /nfs/dbraw/zinc/37/87/36/713378736.db2.gz LECWURGBXPVETF-SMDDNHRTSA-N 1 0 306.366 1.529 20 5 DDBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H]1C[C@H]2COC[C@H]2O1 ZINC000930353098 713811968 /nfs/dbraw/zinc/81/19/68/713811968.db2.gz HFWIBODEMPHSNK-CWRNSKLLSA-N 1 0 306.362 1.873 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000930912017 713956529 /nfs/dbraw/zinc/95/65/29/713956529.db2.gz RHOSQKGVEBJRDR-LBPRGKRZSA-N 1 0 323.397 1.336 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000931123076 714008071 /nfs/dbraw/zinc/00/80/71/714008071.db2.gz KPRKJQPZOXRRAV-UHFFFAOYSA-N 1 0 323.397 1.433 20 5 DDBDRO CC[C@H](CN1CCOCC1)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000922589037 714094888 /nfs/dbraw/zinc/09/48/88/714094888.db2.gz GBIOCKIYWGUVNM-CQSZACIVSA-N 1 0 323.393 1.804 20 5 DDBDRO CC[NH+]1CCC(N(C)C(=O)Cn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000931634708 714144775 /nfs/dbraw/zinc/14/47/75/714144775.db2.gz FDDFJIBZUITBPA-UHFFFAOYSA-N 1 0 309.370 1.042 20 5 DDBDRO C[NH+](C)CCCOC(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC000923222180 714276736 /nfs/dbraw/zinc/27/67/36/714276736.db2.gz DPZLHRLYJHYNDM-UHFFFAOYSA-N 1 0 324.333 1.865 20 5 DDBDRO C[C@@H]1C[NH2+][C@@H](C)[C@H](C)N1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000923445689 714358106 /nfs/dbraw/zinc/35/81/06/714358106.db2.gz WEUWYWUSBAYTSC-AGIUHOORSA-N 1 0 320.393 1.994 20 5 DDBDRO O=[N+]([O-])c1ccc(CN2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)cc1 ZINC000934255067 714775988 /nfs/dbraw/zinc/77/59/88/714775988.db2.gz OJJICVSFFDOSSH-JKSUJKDBSA-N 1 0 305.378 1.626 20 5 DDBDRO O=[N+]([O-])c1cc(F)ccc1CN1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000934272206 714783172 /nfs/dbraw/zinc/78/31/72/714783172.db2.gz IISXQMYKXHFQDK-CABCVRRESA-N 1 0 323.368 1.765 20 5 DDBDRO C[C@@H]1[C@H](NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000925343013 714820915 /nfs/dbraw/zinc/82/09/15/714820915.db2.gz KVTHVQZDCIDNMQ-TZMCWYRMSA-N 1 0 320.393 1.871 20 5 DDBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1C[NH2+]C[C@H]1C ZINC000925785350 714934658 /nfs/dbraw/zinc/93/46/58/714934658.db2.gz KRNQHBUMNHTCSQ-UHIISALHSA-N 1 0 306.366 1.509 20 5 DDBDRO C[N@@H+]1CCO[C@@H]2CN(c3nc4ccccc4cc3[N+](=O)[O-])C[C@H]21 ZINC000352355708 719413132 /nfs/dbraw/zinc/41/31/32/719413132.db2.gz JIQZEOKLQLWFFL-HUUCEWRRSA-N 1 0 314.345 1.662 20 5 DDBDRO CC[NH+](CC)C1CCN(c2c(C)c([N+](=O)[O-])cc[n+]2[O-])CC1 ZINC001165053306 722004218 /nfs/dbraw/zinc/00/42/18/722004218.db2.gz LWJZPKLUNPDMTC-UHFFFAOYSA-N 1 0 308.382 1.847 20 5 DDBDRO Cc1cc(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])ncn1 ZINC001125762319 735538519 /nfs/dbraw/zinc/53/85/19/735538519.db2.gz RTBQZICXSDRRFI-UHFFFAOYSA-N 1 0 315.333 1.213 20 5 DDBDRO COc1cccc([N+](=O)[O-])c1N[C@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC001120959089 782257517 /nfs/dbraw/zinc/25/75/17/782257517.db2.gz FLZNAZYKKRXQIA-YPMHNXCESA-N 1 0 308.382 1.650 20 5 DDBDRO COC(=O)c1cnc(N[C@@H]2CC[C@@H]3C[N@H+](C)C[C@H]23)c([N+](=O)[O-])c1 ZINC001121008532 782293193 /nfs/dbraw/zinc/29/31/93/782293193.db2.gz FMVLKIVBSXDQOJ-ADEWGFFLSA-N 1 0 320.349 1.529 20 5 DDBDRO O=C(NCCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1ccnnc1 ZINC001167283911 732905962 /nfs/dbraw/zinc/90/59/62/732905962.db2.gz PQQVHPALCZPXHS-UHFFFAOYSA-N 1 0 321.362 1.356 20 5 DDBDRO Cc1cc(C(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)cnn1 ZINC001126250473 738769302 /nfs/dbraw/zinc/76/93/02/738769302.db2.gz JWVLAIJFVYWLLI-UHFFFAOYSA-N 1 0 321.362 1.274 20 5 DDBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1)c1cnco1 ZINC001022513019 734576182 /nfs/dbraw/zinc/57/61/82/734576182.db2.gz DLJDAJFNMSNRIH-AOOOYVTPSA-N 1 0 322.346 1.695 20 5 DDBDRO CC[NH+](CC)CC(=O)N(C)CCN(C)c1ccccc1[N+](=O)[O-] ZINC001105407859 740988485 /nfs/dbraw/zinc/98/84/85/740988485.db2.gz MVCMYWZPXKMOQP-UHFFFAOYSA-N 1 0 322.409 1.831 20 5 DDBDRO COC(=O)c1cc(C)nc(NC2(C)CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001168187711 741768686 /nfs/dbraw/zinc/76/86/86/741768686.db2.gz ULKPLYSJACFPCA-UHFFFAOYSA-N 1 0 308.338 1.639 20 5 DDBDRO CC(C)CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC2 ZINC001035707275 751794053 /nfs/dbraw/zinc/79/40/53/751794053.db2.gz OIHYGKMLAGRZNM-ZIAGYGMSSA-N 1 0 309.410 1.622 20 5 DDBDRO Cc1nn(C)c(N2CC[NH2+][C@@H](c3ccccc3)C2)c1[N+](=O)[O-] ZINC001187686566 744590945 /nfs/dbraw/zinc/59/09/45/744590945.db2.gz QJCNOALZXCWAHJ-CYBMUJFWSA-N 1 0 301.350 1.788 20 5 DDBDRO Nc1nnc([C@@H]2CCC[N@H+](Cc3ccccc3[N+](=O)[O-])C2)o1 ZINC001196527861 746887734 /nfs/dbraw/zinc/88/77/34/746887734.db2.gz YBHBQDHLSPDBAM-LLVKDONJSA-N 1 0 303.322 1.940 20 5 DDBDRO CN1CCN(C(=[NH2+])Nc2ccc3nc[nH]c3c2[N+](=O)[O-])CC1 ZINC001168740049 748707119 /nfs/dbraw/zinc/70/71/19/748707119.db2.gz BMOYTPNGNAMUEW-UHFFFAOYSA-N 1 0 303.326 1.065 20 5 DDBDRO O=C(C[NH+]1CCCC1)NC/C=C/CNc1ncccc1[N+](=O)[O-] ZINC001107201481 749555999 /nfs/dbraw/zinc/55/59/99/749555999.db2.gz RODILLPAMOUZHV-OWOJBTEDSA-N 1 0 319.365 1.170 20 5 DDBDRO CNc1cc([N+](=O)[O-])cnc1-n1cnc(C)c1CSCC[NH3+] ZINC001168786019 761964163 /nfs/dbraw/zinc/96/41/63/761964163.db2.gz IHLNIFBRCQGPIN-UHFFFAOYSA-N 1 0 322.394 1.718 20 5 DDBDRO O=C(NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccncn1 ZINC001168805190 762041285 /nfs/dbraw/zinc/04/12/85/762041285.db2.gz QMBDXCSLWVOKAT-UHFFFAOYSA-N 1 0 315.333 1.295 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]C1CCN(C(=O)C(C)(C)C)CC1 ZINC000997201528 750688167 /nfs/dbraw/zinc/68/81/67/750688167.db2.gz SBNVOJOQUBWCKT-UHFFFAOYSA-N 1 0 323.397 1.455 20 5 DDBDRO [NH3+]Cc1ccc2ncn(-c3c[n+]([O-])c(Cl)cc3[N+](=O)[O-])c2c1 ZINC001168838768 762064482 /nfs/dbraw/zinc/06/44/82/762064482.db2.gz NJFVOSYNQNYPPY-UHFFFAOYSA-N 1 0 319.708 1.679 20 5 DDBDRO COC(=O)c1ncc([N+](=O)[O-])cc1N(CC[NH3+])c1cccnc1 ZINC001168839314 762065815 /nfs/dbraw/zinc/06/58/15/762065815.db2.gz ZBOSTJMRNQPAKV-UHFFFAOYSA-N 1 0 317.305 1.268 20 5 DDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(C[NH2+]Cc2cscn2)CC1 ZINC000997774581 751272905 /nfs/dbraw/zinc/27/29/05/751272905.db2.gz FXSHSHREEDEXBE-CHWSQXEVSA-N 1 0 324.406 1.137 20 5 DDBDRO [NH3+]CCc1cnn(-c2ncnc3cc(F)c([N+](=O)[O-])cc32)c1 ZINC001168945805 762135960 /nfs/dbraw/zinc/13/59/60/762135960.db2.gz CPSMDDQGBPQNTB-UHFFFAOYSA-N 1 0 302.269 1.364 20 5 DDBDRO [NH3+]CCc1cnn(-c2ccc(-c3cccc([N+](=O)[O-])c3)nn2)c1 ZINC001168946878 762136413 /nfs/dbraw/zinc/13/64/13/762136413.db2.gz PMIOWKLKXCZYDO-UHFFFAOYSA-N 1 0 310.317 1.739 20 5 DDBDRO CCOC(=O)C1(N[C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC[NH+](C)CC1 ZINC001168976714 762145891 /nfs/dbraw/zinc/14/58/91/762145891.db2.gz FRCFRBOOUCKHCE-QWHCGFSZSA-N 1 0 313.398 1.049 20 5 DDBDRO CCOc1ccc([C@@H](CO)[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)cn1 ZINC001168961690 762156126 /nfs/dbraw/zinc/15/61/26/762156126.db2.gz JQHIDOGZZRBOAJ-IACUBPJLSA-N 1 0 309.366 1.549 20 5 DDBDRO CN(C)C(=O)c1ccc(CC[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)cc1 ZINC001169004000 762173751 /nfs/dbraw/zinc/17/37/51/762173751.db2.gz OWZWDYNKQGFNRH-GOEBONIOSA-N 1 0 319.405 1.966 20 5 DDBDRO O=C(NC1CC1)[C@H]1C[C@H]2C[N@@H+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@H]2C1 ZINC001169023547 762201083 /nfs/dbraw/zinc/20/10/83/762201083.db2.gz OYWUCPYYTJYXPR-FAHYXWLWSA-N 1 0 321.421 1.668 20 5 DDBDRO Cc1ccnc(O[C@@H]2CC[N@@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)n1 ZINC001169052444 762207230 /nfs/dbraw/zinc/20/72/30/762207230.db2.gz FXQUKIUJJHCXMG-MGPQQGTHSA-N 1 0 306.366 1.684 20 5 DDBDRO O=C(Cc1ncc[nH]1)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001169204842 762294047 /nfs/dbraw/zinc/29/40/47/762294047.db2.gz SLWXLKDLPNAPMA-UHFFFAOYSA-N 1 0 317.349 1.157 20 5 DDBDRO COc1cccc(NCc2ncn3c2C[NH2+]CCC3)c1[N+](=O)[O-] ZINC001169241989 762306052 /nfs/dbraw/zinc/30/60/52/762306052.db2.gz BRNOAWZROBYOJG-UHFFFAOYSA-N 1 0 317.349 1.905 20 5 DDBDRO COc1ccc(C[C@@H](C)[NH2+]C2CN(C3COC3)C2)c([N+](=O)[O-])c1 ZINC001170327464 766253092 /nfs/dbraw/zinc/25/30/92/766253092.db2.gz RTLGRSLAZSWORU-LLVKDONJSA-N 1 0 321.377 1.207 20 5 DDBDRO COc1ccc(C[C@H](C)[NH2+]C[C@@H]2CNC(=O)C2)c([N+](=O)[O-])c1 ZINC001170307441 766258567 /nfs/dbraw/zinc/25/85/67/766258567.db2.gz FVLQCPPVYMDNGC-WDEREUQCSA-N 1 0 307.350 1.260 20 5 DDBDRO COc1ccc(C[C@@H](C)[NH2+]C2(CCO)COC2)c([N+](=O)[O-])c1 ZINC001170307062 766258820 /nfs/dbraw/zinc/25/88/20/766258820.db2.gz DJELLCQWKLCVQB-LLVKDONJSA-N 1 0 310.350 1.275 20 5 DDBDRO CCOC(=O)C1C[NH2+]CCC1=Nc1nc(OC)ccc1[N+](=O)[O-] ZINC001170512966 767721261 /nfs/dbraw/zinc/72/12/61/767721261.db2.gz AUXKMDQZKGEWGC-UHFFFAOYSA-N 1 0 322.321 1.221 20 5 DDBDRO CCC[N@H+](C)CC(=O)N[C@H]1C[C@H](Nc2ccccc2[N+](=O)[O-])C1 ZINC001097053599 771599882 /nfs/dbraw/zinc/59/98/82/771599882.db2.gz VJPVHACUSTTZKR-JOCQHMNTSA-N 1 0 320.393 1.996 20 5 DDBDRO CC[C@@]([NH3+])(CO)Nc1cnc(Oc2ccc([N+](=O)[O-])cc2)nc1 ZINC001170866567 771783019 /nfs/dbraw/zinc/78/30/19/771783019.db2.gz YWGWRMYFYGTKPN-AWEZNQCLSA-N 1 0 319.321 1.646 20 5 DDBDRO CCOC(=O)CN(CC[NH3+])c1ccc2cc([N+](=O)[O-])ccc2n1 ZINC001170991514 772034163 /nfs/dbraw/zinc/03/41/63/772034163.db2.gz ABBKIYWBVUKMFT-UHFFFAOYSA-N 1 0 318.333 1.471 20 5 DDBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cnc(N)c([N+](=O)[O-])c2)C1 ZINC001137039020 772275501 /nfs/dbraw/zinc/27/55/01/772275501.db2.gz OKTULSKYHOQQBP-LLVKDONJSA-N 1 0 321.381 1.376 20 5 DDBDRO Cn1cc(N2c3ccccc3OC[C@@H]2C[NH3+])cc([N+](=O)[O-])c1=O ZINC001171401456 774508955 /nfs/dbraw/zinc/50/89/55/774508955.db2.gz WFUVQIDIFJSFRU-NSHDSACASA-N 1 0 316.317 1.151 20 5 DDBDRO O=C(CCC[NH+]1CCCC1)NCCNc1ncccc1[N+](=O)[O-] ZINC001093670695 774983953 /nfs/dbraw/zinc/98/39/53/774983953.db2.gz FBPUXUXAJXQNER-UHFFFAOYSA-N 1 0 321.381 1.394 20 5 DDBDRO Cc1cnc(NCCCNC(=O)CCC[NH+](C)C)c([N+](=O)[O-])c1 ZINC001094744769 776242608 /nfs/dbraw/zinc/24/26/08/776242608.db2.gz LCAZKTZGAUMKSM-UHFFFAOYSA-N 1 0 323.397 1.558 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]C[C@H]1COCCO1)CC2 ZINC001172900836 776914759 /nfs/dbraw/zinc/91/47/59/776914759.db2.gz GLIIIQLBORZKSG-HOCLYGCPSA-N 1 0 306.362 1.847 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CCOC[C@@H](O)C1)CC2 ZINC001172903902 776917140 /nfs/dbraw/zinc/91/71/40/776917140.db2.gz JKBXUHKTIIBVFR-ZBFHGGJFSA-N 1 0 306.362 1.535 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CCNC(C)=O)c1F ZINC001173175011 777033829 /nfs/dbraw/zinc/03/38/29/777033829.db2.gz INZZAEBVFCTPPJ-SECBINFHSA-N 1 0 313.329 1.399 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CCOCCO)c1F ZINC001173174804 777034420 /nfs/dbraw/zinc/03/44/20/777034420.db2.gz CGHYDYSHLZDQMI-SNVBAGLBSA-N 1 0 316.329 1.272 20 5 DDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CC(N2CC[NH+](C)CC2)C1 ZINC001173231631 777063396 /nfs/dbraw/zinc/06/33/96/777063396.db2.gz NFUQPFZWZPHAAY-AWEZNQCLSA-N 1 0 318.421 1.457 20 5 DDBDRO CN(CCNc1cccc(F)c1[N+](=O)[O-])C(=O)C[NH+]1CCCC1 ZINC001101633268 777329235 /nfs/dbraw/zinc/32/92/35/777329235.db2.gz IDTGRDNBPSQVFJ-UHFFFAOYSA-N 1 0 324.356 1.700 20 5 DDBDRO CCC1(CC)CNC(=O)[C@H]1[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001176451402 778152649 /nfs/dbraw/zinc/15/26/49/778152649.db2.gz BVNORIWTKUKFOB-UONOGXRCSA-N 1 0 321.377 1.523 20 5 DDBDRO C[NH+]1CCC2(CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CC2)CC1 ZINC001118988334 781291875 /nfs/dbraw/zinc/29/18/75/781291875.db2.gz NSOPHCTWLMGZML-UHFFFAOYSA-N 1 0 306.366 1.871 20 5 DDBDRO CCC1([NH+]2CCC2)CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC001119525389 781495273 /nfs/dbraw/zinc/49/52/73/781495273.db2.gz XNKOVHDZQUEIPY-UHFFFAOYSA-N 1 0 307.354 1.408 20 5 DDBDRO CC(C)(C)OC(=O)N1CCCO[C@@H](COCC[N+](C)(C)C)C1 ZINC001224774980 845685132 /nfs/dbraw/zinc/68/51/32/845685132.db2.gz HIXUTUAQDWAWMY-CQSZACIVSA-N 1 0 317.450 1.735 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H]2CCC[NH2+]C[C@@H]2C)n1 ZINC001155030742 861660940 /nfs/dbraw/zinc/66/09/40/861660940.db2.gz RLXKRUKRAXQXGC-WDEREUQCSA-N 1 0 322.365 1.824 20 5 DDBDRO C[NH2+][C@@H](C)CCNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001327073638 861850794 /nfs/dbraw/zinc/85/07/94/861850794.db2.gz URFWSOFDZARYHJ-NSHDSACASA-N 1 0 317.349 1.508 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)n1 ZINC001128883028 848122293 /nfs/dbraw/zinc/12/22/93/848122293.db2.gz OZWJNJSNJYISAG-GXTWGEPZSA-N 1 0 318.377 1.997 20 5 DDBDRO O=C(c1c(F)cccc1[N+](=O)[O-])N1CC([NH2+]C2CCOCC2)C1 ZINC001155331383 861968851 /nfs/dbraw/zinc/96/88/51/861968851.db2.gz LHJRCLDZLVUOMM-UHFFFAOYSA-N 1 0 323.324 1.327 20 5 DDBDRO COc1ncnc2c1CC[N@@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169021296 850518683 /nfs/dbraw/zinc/51/86/83/850518683.db2.gz KLLPFFRQTUERTH-RYUDHWBXSA-N 1 0 306.366 1.331 20 5 DDBDRO O=[N+]([O-])c1cnc(NC[C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)c2ccccc21 ZINC001155482769 862143308 /nfs/dbraw/zinc/14/33/08/862143308.db2.gz CYAGDLUBDFQYHH-WDBKCZKBSA-N 1 0 314.345 1.789 20 5 DDBDRO O=[N+]([O-])c1cc(Cl)nc(N[C@@H]2CCO[C@]3(CC[NH2+]C3)C2)c1 ZINC001155619540 862297983 /nfs/dbraw/zinc/29/79/83/862297983.db2.gz PXHKCSNDQIJPTI-NOZJJQNGSA-N 1 0 312.757 1.966 20 5 DDBDRO O=[N+]([O-])c1cc(N[C@@H]2CCO[C@@]3(CC[NH2+]C3)C2)nc2[nH]ccc21 ZINC001155624659 862309628 /nfs/dbraw/zinc/30/96/28/862309628.db2.gz XFDDDUAFBWUUTJ-BMIGLBTASA-N 1 0 317.349 1.794 20 5 DDBDRO Cc1cnc(N(C)CCCNC(=O)CC[NH+](C)C)c([N+](=O)[O-])c1 ZINC001095732234 855183124 /nfs/dbraw/zinc/18/31/24/855183124.db2.gz PTJJAKQQVQHDIA-UHFFFAOYSA-N 1 0 323.397 1.192 20 5 DDBDRO C[NH2+][C@@H](C)CCNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC001328221545 862787275 /nfs/dbraw/zinc/78/72/75/862787275.db2.gz SKMOATFFJVQAHZ-NSHDSACASA-N 1 0 317.349 1.508 20 5 DDBDRO COC(=O)c1cnc(N2C[C@H]3C[C@@]3(C[NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC001156385432 862996533 /nfs/dbraw/zinc/99/65/33/862996533.db2.gz LBKBHIYRYRZAAQ-IAQYHMDHSA-N 1 0 320.349 1.164 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NCC[C@@H]1CSCC[NH2+]1 ZINC001122001876 858657147 /nfs/dbraw/zinc/65/71/47/858657147.db2.gz VCBGFNARAZKSNM-LLVKDONJSA-N 1 0 309.391 1.728 20 5 DDBDRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)C2 ZINC001122203594 858712103 /nfs/dbraw/zinc/71/21/03/858712103.db2.gz OXQZDBIKFFZITL-PWXKEOIMSA-N 1 0 315.373 1.766 20 5 DDBDRO CC(C)(C)OC(=O)N1C[C@H](OCC[N+](C)(C)C)C(F)(F)C1 ZINC001224772255 881529171 /nfs/dbraw/zinc/52/91/71/881529171.db2.gz XWZQUECAVYVXLM-NSHDSACASA-N 1 0 309.377 1.964 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCCNC(=O)c1cccs1 ZINC001154293678 860959286 /nfs/dbraw/zinc/95/92/86/860959286.db2.gz YYKHDILKSGVNHR-UHFFFAOYSA-N 1 0 323.378 1.300 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCCNC(=O)c1ccsc1 ZINC001154467344 861125070 /nfs/dbraw/zinc/12/50/70/861125070.db2.gz IIHMTBKLJXHCTG-UHFFFAOYSA-N 1 0 323.378 1.300 20 5 DDBDRO CSc1nc(Cl)c([N+](=O)[O-])c(-n2ccnc2CC[NH3+])n1 ZINC001156477640 863084098 /nfs/dbraw/zinc/08/40/98/863084098.db2.gz COMJFEGGBLDSAF-UHFFFAOYSA-N 1 0 314.758 1.447 20 5 DDBDRO C[NH+]1CCC2(CCN(c3ncc([N+](=O)[O-])cc3N)CC2)CC1 ZINC001156574981 863160803 /nfs/dbraw/zinc/16/08/03/863160803.db2.gz LKEQFVPQJVGTLH-UHFFFAOYSA-N 1 0 305.382 1.884 20 5 DDBDRO C[C@@H]1C[C@H](NC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)CC[NH2+]1 ZINC001328727994 863179587 /nfs/dbraw/zinc/17/95/87/863179587.db2.gz IHGHXDMFRKPPPX-ZWNOBZJWSA-N 1 0 304.350 1.761 20 5 DDBDRO COC(=O)c1ccnc(N(C)[C@]2(C)CCC[NH2+]C2)c1[N+](=O)[O-] ZINC001156967547 863482252 /nfs/dbraw/zinc/48/22/52/863482252.db2.gz BHFHOZRNKGTFOI-CQSZACIVSA-N 1 0 308.338 1.355 20 5 DDBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCN1CCC(CO)CC1 ZINC001329115001 863485681 /nfs/dbraw/zinc/48/56/81/863485681.db2.gz SQCDQNJGGBTWBQ-MRXNPFEDSA-N 1 0 319.405 1.876 20 5 DDBDRO C[NH2+][C@@H](C)CCNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC001329301543 863586530 /nfs/dbraw/zinc/58/65/30/863586530.db2.gz JRZCOIXGLYMJKR-NSHDSACASA-N 1 0 317.349 1.508 20 5 DDBDRO C[NH2+][C@@H](C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)c1cnn(C)c1 ZINC001329498342 863698247 /nfs/dbraw/zinc/69/82/47/863698247.db2.gz GDFCZAZKCXRZGQ-CQSZACIVSA-N 1 0 315.333 1.131 20 5 DDBDRO CCOC(=O)c1ccnc(-n2ccc3c2CC[NH2+]C3)c1[N+](=O)[O-] ZINC001157454194 863829828 /nfs/dbraw/zinc/82/98/28/863829828.db2.gz PGPCTYPBAJXUBD-UHFFFAOYSA-N 1 0 316.317 1.603 20 5 DDBDRO O=C(NCCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1ncc[nH]1 ZINC001157628040 863988247 /nfs/dbraw/zinc/98/82/47/863988247.db2.gz IKFJYDVJXAZJGP-UHFFFAOYSA-N 1 0 303.322 1.228 20 5 DDBDRO CC(C)[N@@H+]1CCC[C@H](NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC001153801750 864115086 /nfs/dbraw/zinc/11/50/86/864115086.db2.gz BPWGHKOKJYZAMH-LBPRGKRZSA-N 1 0 323.397 1.515 20 5 DDBDRO CN(CC[NH+]1CC2(C1)CCOCC2)c1ccncc1[N+](=O)[O-] ZINC001330354628 864267393 /nfs/dbraw/zinc/26/73/93/864267393.db2.gz OSWXCNVHLCCEGY-UHFFFAOYSA-N 1 0 306.366 1.538 20 5 DDBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N2C[C@@H](C)[NH2+][C@H](C)C2)n1 ZINC001158173780 864469436 /nfs/dbraw/zinc/46/94/36/864469436.db2.gz WFIQDKAHECPQPW-RNFRBKRXSA-N 1 0 317.802 1.947 20 5 DDBDRO CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001330609053 864483967 /nfs/dbraw/zinc/48/39/67/864483967.db2.gz DCARFFCFMRCGOZ-HOCLYGCPSA-N 1 0 319.361 1.247 20 5 DDBDRO COc1nc(N2CCC(N3CC[C@@H]([NH3+])C3)CC2)ccc1[N+](=O)[O-] ZINC001158259342 864520913 /nfs/dbraw/zinc/52/09/13/864520913.db2.gz QWLWZHAYUNMVRS-LLVKDONJSA-N 1 0 321.381 1.000 20 5 DDBDRO COc1cnc(N2CCO[C@H](C[NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC001158309952 864565721 /nfs/dbraw/zinc/56/57/21/864565721.db2.gz VIJQVJIDFJYBCP-CYBMUJFWSA-N 1 0 322.365 1.299 20 5 DDBDRO O=[N+]([O-])c1cc(Cl)nc(NCc2ncn3c2C[NH2+]CCC3)c1 ZINC001158356277 864600702 /nfs/dbraw/zinc/60/07/02/864600702.db2.gz PMUXEKXCMFOFTO-UHFFFAOYSA-N 1 0 322.756 1.945 20 5 DDBDRO COc1cnc(-n2cc(CC[NH3+])c3ncccc32)c([N+](=O)[O-])c1 ZINC001158748435 864880034 /nfs/dbraw/zinc/88/00/34/864880034.db2.gz AWLATZBGSXZILV-UHFFFAOYSA-N 1 0 313.317 1.839 20 5 DDBDRO [NH3+]Cc1ccc2nnn(-c3ncnc4cccc([N+](=O)[O-])c43)c2c1 ZINC001159028310 865057003 /nfs/dbraw/zinc/05/70/03/865057003.db2.gz DILZMAZJTZEXPZ-UHFFFAOYSA-N 1 0 321.300 1.731 20 5 DDBDRO Cc1c(CC[NH3+])c(=O)[n-]n1-c1cnc2cc([N+](=O)[O-])ccc2n1 ZINC001159294176 865206584 /nfs/dbraw/zinc/20/65/84/865206584.db2.gz WVKBSUSUAWHAOZ-UHFFFAOYSA-N 1 0 314.305 1.239 20 5 DDBDRO C[C@H](Nc1cc(/C=C/N(C)C)c([N+](=O)[O-])cn1)[C@H]1C[NH2+]CCO1 ZINC001159499415 865354719 /nfs/dbraw/zinc/35/47/19/865354719.db2.gz PXUDDCGYDIRBIR-ICCMNZRJSA-N 1 0 321.381 1.311 20 5 DDBDRO O=[N+]([O-])c1c(Cl)ccc2nc(N[C@@H]3C[NH2+]C[C@@H]3CO)ccc21 ZINC001159680112 865466882 /nfs/dbraw/zinc/46/68/82/865466882.db2.gz YLGQCNQAZMQRSZ-PRHODGIISA-N 1 0 322.752 1.789 20 5 DDBDRO C[NH2+]CCN(C(C)C)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC001331998297 865491668 /nfs/dbraw/zinc/49/16/68/865491668.db2.gz VWSRDTJXDZXUSI-UHFFFAOYSA-N 1 0 315.395 1.354 20 5 DDBDRO CC[C@]([NH3+])(CO)Nc1ccc(-c2ccc([N+](=O)[O-])cc2)nn1 ZINC001159744593 865497656 /nfs/dbraw/zinc/49/76/56/865497656.db2.gz TXGYKUFKEQJXQN-CQSZACIVSA-N 1 0 303.322 1.521 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc(Br)nc1 ZINC001225571901 881912974 /nfs/dbraw/zinc/91/29/74/881912974.db2.gz QDFQJVMHRIHYBV-SECBINFHSA-N 1 0 318.191 1.207 20 5 DDBDRO O=C(NCCNc1cc[nH+]cc1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC001160613064 865975223 /nfs/dbraw/zinc/97/52/23/865975223.db2.gz LXCPHJDOLOWYOA-UHFFFAOYSA-N 1 0 320.736 1.907 20 5 DDBDRO Nc1nc(N[C@H]2CC[NH2+]C[C@H]2C(F)(F)F)ccc1[N+](=O)[O-] ZINC001160736628 866087375 /nfs/dbraw/zinc/08/73/75/866087375.db2.gz DIUZEOFOJNNSEX-RQJHMYQMSA-N 1 0 305.260 1.524 20 5 DDBDRO N=c1ncc(C[NH3+])cn1-c1nc(Cl)c(Cl)cc1[N+](=O)[O-] ZINC001161415660 866646890 /nfs/dbraw/zinc/64/68/90/866646890.db2.gz WAWQECQZZRYMPZ-UHFFFAOYSA-N 1 0 315.120 1.420 20 5 DDBDRO O=C(NCC1CC[NH+](CC[N+](=O)[O-])CC1)OCc1ccccc1 ZINC001333498702 866794559 /nfs/dbraw/zinc/79/45/59/866794559.db2.gz OGMUMDGGBIGEBG-UHFFFAOYSA-N 1 0 321.377 1.902 20 5 DDBDRO CCN(CC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)c1nc[nH]n1 ZINC001320871811 867089380 /nfs/dbraw/zinc/08/93/80/867089380.db2.gz MLVYPUATNXMVFC-UHFFFAOYSA-N 1 0 324.366 1.026 20 5 DDBDRO C[C@@H](CN1CC[NH2+]CC1)Nc1ncc2cccc([N+](=O)[O-])c2n1 ZINC001162092372 867244276 /nfs/dbraw/zinc/24/42/76/867244276.db2.gz AWRPUSNBIKDAJR-NSHDSACASA-N 1 0 316.365 1.244 20 5 DDBDRO COC(=O)[C@@H](Nc1cc([N+](=O)[O-])c(C)cc1OC)C(C)(C)[NH3+] ZINC001162947722 867936317 /nfs/dbraw/zinc/93/63/17/867936317.db2.gz WHQZQYYYOQPJIS-GFCCVEGCSA-N 1 0 311.338 1.603 20 5 DDBDRO COc1nc(C)c(NCC[C@@H]2CCOC23C[NH2+]C3)cc1[N+](=O)[O-] ZINC001163094077 868083332 /nfs/dbraw/zinc/08/33/32/868083332.db2.gz FZIZHZCSJQCWMW-LLVKDONJSA-N 1 0 322.365 1.487 20 5 DDBDRO CN(CC(=O)NCC[NH+]1CC=CC1)c1ccccc1[N+](=O)[O-] ZINC001322269864 868089887 /nfs/dbraw/zinc/08/98/87/868089887.db2.gz OPXKDAJZVGKLNX-UHFFFAOYSA-N 1 0 304.350 1.019 20 5 DDBDRO O=[N+]([O-])c1cc(NC[C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)cc2cccnc21 ZINC001163105696 868104371 /nfs/dbraw/zinc/10/43/71/868104371.db2.gz RHSBXGRPHFSDMQ-UXIGCNINSA-N 1 0 314.345 1.789 20 5 DDBDRO O=[N+]([O-])c1cc2c(nc1N[C@@H]1C[NH2+][C@@H]3COC[C@H]13)CCCC2 ZINC001163141207 868152186 /nfs/dbraw/zinc/15/21/86/868152186.db2.gz UXMSJODNSIMHDU-RAIGVLPGSA-N 1 0 304.350 1.267 20 5 DDBDRO O=[N+]([O-])c1cc(F)cc2ccc(N[C@@H]3C[NH2+][C@@H]4COC[C@H]34)nc21 ZINC001163141818 868153723 /nfs/dbraw/zinc/15/37/23/868153723.db2.gz YWYSHZWDEQSUNF-IJLUTSLNSA-N 1 0 318.308 1.681 20 5 DDBDRO Cc1c(F)cnc(NC[C@@H]2OC[C@H]3C[NH2+]CC[C@H]32)c1[N+](=O)[O-] ZINC001163163802 868174959 /nfs/dbraw/zinc/17/49/59/868174959.db2.gz MHTGHRYTVGTUJJ-FOGDFJRCSA-N 1 0 310.329 1.474 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H]2CN3CCC2CC3)c1 ZINC001335353031 868244378 /nfs/dbraw/zinc/24/43/78/868244378.db2.gz PMMLRLNAXMDBGN-GDBMZVCRSA-N 1 0 321.377 1.018 20 5 DDBDRO COc1ccc([N+](=O)[O-])nc1N[C@H]1CCO[C@@]2(CC[NH2+]C2)C1 ZINC001163325716 868355868 /nfs/dbraw/zinc/35/58/68/868355868.db2.gz XPNGUBYDVSFCAQ-HZMBPMFUSA-N 1 0 308.338 1.321 20 5 DDBDRO C[C@@H](CNC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)c1ccccc1[N+](=O)[O-] ZINC001335681576 868475431 /nfs/dbraw/zinc/47/54/31/868475431.db2.gz WAXZZEPNTFIBJB-SRVKXCTJSA-N 1 0 304.350 1.454 20 5 DDBDRO C[C@H](CNC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccccc1[N+](=O)[O-] ZINC001335686942 868478427 /nfs/dbraw/zinc/47/84/27/868478427.db2.gz LXHDFNUNOUPXQQ-WUWHUORYSA-N 1 0 304.350 1.215 20 5 DDBDRO CC1([NH+]2CCCC2)CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC001163857557 868760597 /nfs/dbraw/zinc/76/05/97/868760597.db2.gz OFTNSCSTWUFKMD-UHFFFAOYSA-N 1 0 306.370 1.422 20 5 DDBDRO COC(=O)c1ncc([N+](=O)[O-])c(C)c1-n1nc(C[NH3+])cc1C ZINC001163981100 868842980 /nfs/dbraw/zinc/84/29/80/868842980.db2.gz DRGFWLDFRDXRDC-UHFFFAOYSA-N 1 0 305.294 1.038 20 5 DDBDRO C[C@H]1CN(C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)CC[NH2+]1 ZINC001165187334 869419757 /nfs/dbraw/zinc/41/97/57/869419757.db2.gz YVHROEROSMHMOU-ZETCQYMHSA-N 1 0 306.700 1.986 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N1CC[N@H+](C(C)C)[C@H](C)C1 ZINC001165198824 869422488 /nfs/dbraw/zinc/42/24/88/869422488.db2.gz JFBPVLQZSLCLKT-LLVKDONJSA-N 1 0 322.365 1.695 20 5 DDBDRO COc1nc(C)c([N+](=O)[O-])c(N2CCC3(CCCC[NH2+]3)CC2)n1 ZINC001165246569 869463990 /nfs/dbraw/zinc/46/39/90/869463990.db2.gz HNHBALNHKXKRQC-UHFFFAOYSA-N 1 0 321.381 1.814 20 5 DDBDRO C[N@@H+]1CCC[C@@H](CCNc2ccc([N+](=O)[O-])c3c2CNC3=O)C1 ZINC001165301156 869508318 /nfs/dbraw/zinc/50/83/18/869508318.db2.gz YKJOQVYWOOJFJB-NSHDSACASA-N 1 0 318.377 1.982 20 5 DDBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001165328720 869520030 /nfs/dbraw/zinc/52/00/30/869520030.db2.gz XXVFVEWOMCZFLC-LKFCYVNXSA-N 1 0 306.322 1.094 20 5 DDBDRO COc1nc(N2C[C@@H](CF)[C@H](C3([NH3+])CC3)C2)ccc1[N+](=O)[O-] ZINC001165429899 869594014 /nfs/dbraw/zinc/59/40/14/869594014.db2.gz KFPKEAOHUFMBSA-NXEZZACHSA-N 1 0 310.329 1.512 20 5 DDBDRO CCOC(=O)c1cccc([N+](=O)[O-])c1-n1ccnc1CC[NH3+] ZINC001166369953 869970716 /nfs/dbraw/zinc/97/07/16/869970716.db2.gz PDRLUDGZZCUTDB-UHFFFAOYSA-N 1 0 304.306 1.458 20 5 DDBDRO Cc1ccnc(-n2ccc([C@@H]3CCC[NH2+]3)nc2=N)c1[N+](=O)[O-] ZINC001166701706 870170860 /nfs/dbraw/zinc/17/08/60/870170860.db2.gz XJAXACOJQZITNK-JTQLQIEISA-N 1 0 300.322 1.388 20 5 DDBDRO Cc1cc(OCC(=O)NC[C@H]2CCCC[N@H+]2C)ccc1[N+](=O)[O-] ZINC001339268224 870429978 /nfs/dbraw/zinc/42/99/78/870429978.db2.gz XCOVECHBCROMJM-CYBMUJFWSA-N 1 0 321.377 1.883 20 5 DDBDRO COc1cc(N[C@@H](C)[C@@H]2C[N@H+](C)CCN2C)ccc1[N+](=O)[O-] ZINC001339815421 870713276 /nfs/dbraw/zinc/71/32/76/870713276.db2.gz MPDPUAWHOPFNBN-FZMZJTMJSA-N 1 0 308.382 1.650 20 5 DDBDRO [NH3+]CC[C@H](NC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)C(F)F ZINC001340164147 870930893 /nfs/dbraw/zinc/93/08/93/870930893.db2.gz MZTXSPVZILWGAE-UTUOFQBUSA-N 1 0 313.304 1.797 20 5 DDBDRO CN(CC[NH2+]Cc1c([N+](=O)[O-])ncn1C)C(=O)c1ccsc1 ZINC001317565062 871087960 /nfs/dbraw/zinc/08/79/60/871087960.db2.gz PVHJWIICKBPYJS-UHFFFAOYSA-N 1 0 323.378 1.252 20 5 DDBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC001340805343 871362594 /nfs/dbraw/zinc/36/25/94/871362594.db2.gz DMWPBYRYHLSQQS-UHFFFAOYSA-N 1 0 323.374 1.131 20 5 DDBDRO O=C(COc1cccc([N+](=O)[O-])c1)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC001341069472 871489972 /nfs/dbraw/zinc/48/99/72/871489972.db2.gz CUKSLRLFRRVGAO-GDBMZVCRSA-N 1 0 319.361 1.622 20 5 DDBDRO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001341277890 871587765 /nfs/dbraw/zinc/58/77/65/871587765.db2.gz PNTRTSAPZBHOFZ-VHSXEESVSA-N 1 0 309.753 1.930 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC001341438917 871660731 /nfs/dbraw/zinc/66/07/31/871660731.db2.gz UCJUCZDVUIDZQA-NSHDSACASA-N 1 0 307.350 1.865 20 5 DDBDRO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC001318454676 872066441 /nfs/dbraw/zinc/06/64/41/872066441.db2.gz TXOVAWXMLCACHB-STQMWFEESA-N 1 0 306.366 1.780 20 5 DDBDRO COc1ccc(CC(=O)N2CC[C@H]3CC[C@@]32C[NH3+])cc1[N+](=O)[O-] ZINC001343127677 872510504 /nfs/dbraw/zinc/51/05/04/872510504.db2.gz ZQXXAOOWYQASSU-MLGOLLRUSA-N 1 0 319.361 1.486 20 5 DDBDRO COc1ccc2nc(CO[C@@H](C)C[N+](C)(C)C)c(=O)oc2c1 ZINC001206803692 872607948 /nfs/dbraw/zinc/60/79/48/872607948.db2.gz JELQGTSWWOVCHJ-NSHDSACASA-N 1 0 307.370 1.808 20 5 DDBDRO C[C@H](C[N+](C)(C)C)Oc1ncncc1I ZINC001226801224 882638973 /nfs/dbraw/zinc/63/89/73/882638973.db2.gz WSODBMNDSLURRY-MRVPVSSYSA-N 1 0 322.170 1.555 20 5 DDBDRO Cc1cc(C(=O)N(C)C2(C[NH3+])CCOCC2)ccc1[N+](=O)[O-] ZINC001345360217 873373711 /nfs/dbraw/zinc/37/37/11/873373711.db2.gz QLONOMUUPVQCTM-UHFFFAOYSA-N 1 0 307.350 1.483 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc2c(c1)CC(=O)CC2 ZINC001226934085 882729602 /nfs/dbraw/zinc/72/96/02/882729602.db2.gz IOTOGPCFGKTBDF-OAHLLOKOSA-N 1 0 306.382 1.107 20 5 DDBDRO [NH3+]C1(C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)Cc2ccccc2C1 ZINC001349469982 875189674 /nfs/dbraw/zinc/18/96/74/875189674.db2.gz RDYXEIDMKFQFCO-UHFFFAOYSA-N 1 0 323.352 1.933 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1nc2ccc([N+](=O)[O-])cc2o1 ZINC001227234672 882924446 /nfs/dbraw/zinc/92/44/46/882924446.db2.gz QCOZTNVPBXAYMN-SNVBAGLBSA-N 1 0 324.313 1.099 20 5 DDBDRO CC[NH2+]CC(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC001349886304 875432611 /nfs/dbraw/zinc/43/26/11/875432611.db2.gz RCPCXUYYDTUECX-UHFFFAOYSA-N 1 0 316.155 1.583 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc2ccc(O)cc2c1 ZINC001227456067 883028277 /nfs/dbraw/zinc/02/82/77/883028277.db2.gz XAEXOCRTIQKJLQ-OAHLLOKOSA-O 1 0 304.366 1.908 20 5 DDBDRO C[C@@H](C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)NCC(F)F ZINC001353353913 877271748 /nfs/dbraw/zinc/27/17/48/877271748.db2.gz NQPBUDSCMXWSBI-JOYOIKCWSA-N 1 0 303.309 1.461 20 5 DDBDRO Cc1cccc(C(=O)N2CCC[C@@H]([NH2+]CCO)C2)c1[N+](=O)[O-] ZINC001354435639 877983613 /nfs/dbraw/zinc/98/36/13/877983613.db2.gz GATIVRVDMPNJPR-GFCCVEGCSA-N 1 0 307.350 1.090 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)NCC[C@@H]1CCC[NH2+]CC1 ZINC001356524987 879087768 /nfs/dbraw/zinc/08/77/68/879087768.db2.gz NVPLFCZASPGCNP-CYBMUJFWSA-N 1 0 321.377 1.870 20 5 DDBDRO Cc1nc(COC(=O)C[C@@H](O)C[N+](C)(C)C)nc2ccccc12 ZINC001223454647 880968127 /nfs/dbraw/zinc/96/81/27/880968127.db2.gz JVNGTPXMLGIAOW-CYBMUJFWSA-N 1 0 318.397 1.439 20 5 DDBDRO C[N@@H+]1[C@@H]2C[C@H](Oc3ncc([N+](=O)[O-])c4nc[nH]c43)[C@H]1CC(=O)C2 ZINC001227691481 883134042 /nfs/dbraw/zinc/13/40/42/883134042.db2.gz OZCVOZBHQGJMRE-NMLBEHRDSA-N 1 0 317.305 1.049 20 5 DDBDRO Cc1cc2cccnc2c(OC(=O)C[C@@H](O)C[N+](C)(C)C)c1 ZINC001234613703 888142143 /nfs/dbraw/zinc/14/21/43/888142143.db2.gz QGRKKIVLIJWXLP-CQSZACIVSA-N 1 0 303.382 1.906 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCNC[C@]12CC[NH2+]C2 ZINC001246620930 892743788 /nfs/dbraw/zinc/74/37/88/892743788.db2.gz BVICFCPIHXZQLG-CZUORRHYSA-N 1 0 304.394 1.163 20 5 DDBDRO C[NH+]1CCN(c2cccc(-c3noc(CC[N+](=O)[O-])n3)c2)CC1 ZINC001247522013 893227630 /nfs/dbraw/zinc/22/76/30/893227630.db2.gz VIYFELNXROLVJM-UHFFFAOYSA-N 1 0 317.349 1.308 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCN1CC2(COC2)C1 ZINC001254545006 896496531 /nfs/dbraw/zinc/49/65/31/896496531.db2.gz ZLXHLGDGOHZMIN-CYBMUJFWSA-N 1 0 305.378 1.448 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+][C@@H]1CCCN(C3COC3)C1)C2 ZINC001254574890 896508907 /nfs/dbraw/zinc/50/89/07/896508907.db2.gz LSXGWOVVHVLPLQ-CABCVRRESA-N 1 0 317.389 1.515 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]C1(CO)CCSCC1)C2 ZINC001254580590 896514234 /nfs/dbraw/zinc/51/42/34/896514234.db2.gz GSLWLGRHOGGALT-CYBMUJFWSA-N 1 0 308.403 1.910 20 5 DDBDRO NC(=O)C1([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCCCC1 ZINC001254584166 896515289 /nfs/dbraw/zinc/51/52/89/896515289.db2.gz QTEXDLXMAJXXAL-ZDUSSCGKSA-N 1 0 303.362 1.840 20 5 DDBDRO CC[C@@H](O)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC001256086105 897277837 /nfs/dbraw/zinc/27/78/37/897277837.db2.gz VLWPCWORFWKBTL-CQSZACIVSA-N 1 0 323.393 1.933 20 5 DDBDRO [NH3+]CCCCNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC001261376558 899523885 /nfs/dbraw/zinc/52/38/85/899523885.db2.gz RRAMJRSFUFXMBK-UHFFFAOYSA-N 1 0 300.746 1.786 20 5 DDBDRO COc1ccc(CC[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC001261836746 899782971 /nfs/dbraw/zinc/78/29/71/899782971.db2.gz KMYYVZVDSYBIMN-OAHLLOKOSA-N 1 0 317.345 1.864 20 5 DDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]Cc3cnn4ccccc34)C2)c1 ZINC001262010832 899895741 /nfs/dbraw/zinc/89/57/41/899895741.db2.gz QBSUKXJROYZEAY-UHFFFAOYSA-N 1 0 312.333 1.932 20 5 DDBDRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2C[N@H+](CC[N+](=O)[O-])C[C@@H]21 ZINC001262256054 900055764 /nfs/dbraw/zinc/05/57/64/900055764.db2.gz DYEHYZDGVASTLZ-FRRDWIJNSA-N 1 0 313.398 1.888 20 5 DDBDRO COC1(OC)CC(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001262561301 900245970 /nfs/dbraw/zinc/24/59/70/900245970.db2.gz QZBFPAMEKMMJTC-AWEZNQCLSA-N 1 0 310.350 1.617 20 5 DDBDRO Cc1ncsc1C[N@H+](C)CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001264985037 901393144 /nfs/dbraw/zinc/39/31/44/901393144.db2.gz KXOJBXFTYVZJHX-GHMZBOCLSA-N 1 0 312.395 1.055 20 5 DDBDRO COCCO[C@H]1C[C@@H](CO)C[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000278261681 214053698 /nfs/dbraw/zinc/05/36/98/214053698.db2.gz IGZVKZREEOZTEX-HIFRSBDPSA-N 1 0 324.377 1.441 20 5 DDBDRO [NH3+][C@H]1CCC[C@H](CNC(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000449640497 230625039 /nfs/dbraw/zinc/62/50/39/230625039.db2.gz SFNSXHLWYYUEEH-RYUDHWBXSA-N 1 0 307.350 1.607 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H](C)[C@@H](O)C1 ZINC000305761234 231042627 /nfs/dbraw/zinc/04/26/27/231042627.db2.gz LIASSDBOXRMLCT-ABAIWWIYSA-N 1 0 321.377 1.935 20 5 DDBDRO O=C1C[C@]2(CC[N@@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)C2)CN1 ZINC000278765997 214385245 /nfs/dbraw/zinc/38/52/45/214385245.db2.gz BZLHQJJBPIYRSN-OAHLLOKOSA-N 1 0 316.317 1.448 20 5 DDBDRO O=C1C[C@@]2(CC[N@@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)C2)CN1 ZINC000278765988 214386067 /nfs/dbraw/zinc/38/60/67/214386067.db2.gz BZLHQJJBPIYRSN-HNNXBMFYSA-N 1 0 316.317 1.448 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C2CC2)C[C@@H](C)C1 ZINC000452171778 231322575 /nfs/dbraw/zinc/32/25/75/231322575.db2.gz RZZGRKJRRNSSSN-LLVKDONJSA-N 1 0 318.377 1.855 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[NH2+]CC1(C)C ZINC000088139344 185240605 /nfs/dbraw/zinc/24/06/05/185240605.db2.gz HBTDTZRSJDCKTL-UHFFFAOYSA-N 1 0 313.379 1.276 20 5 DDBDRO [NH3+]C1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000092713826 185335729 /nfs/dbraw/zinc/33/57/29/185335729.db2.gz YKTHMWGXHZMPRU-UHFFFAOYSA-N 1 0 312.757 1.610 20 5 DDBDRO CC(C)(C)[C@@H](CCO)[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000181456583 199299894 /nfs/dbraw/zinc/29/98/94/199299894.db2.gz IUELUWKRLAEKLJ-CYBMUJFWSA-N 1 0 309.366 1.920 20 5 DDBDRO CO[C@]1(C)CCC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000279313534 214785405 /nfs/dbraw/zinc/78/54/05/214785405.db2.gz NKOZJWBPKPHLMS-GDBMZVCRSA-N 1 0 324.377 1.835 20 5 DDBDRO CN(CC(=O)N[C@H](C[NH3+])C(C)(C)C)c1ccccc1[N+](=O)[O-] ZINC000423962854 529836762 /nfs/dbraw/zinc/83/67/62/529836762.db2.gz VMPOVPIKWFGYKQ-CYBMUJFWSA-N 1 0 308.382 1.521 20 5 DDBDRO C[NH2+]CCCN(C)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000424038944 529964175 /nfs/dbraw/zinc/96/41/75/529964175.db2.gz ZGPHAUMMNHMJIQ-UHFFFAOYSA-N 1 0 306.366 1.851 20 5 DDBDRO C[NH2+]C[C@H](C)CNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000133223956 290717840 /nfs/dbraw/zinc/71/78/40/290717840.db2.gz FTTFEXOUKZGMRE-VIFPVBQESA-N 1 0 301.368 1.037 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCC2([NH+](C)C)CCC2)n1 ZINC000286738198 219138623 /nfs/dbraw/zinc/13/86/23/219138623.db2.gz QRHGYADVYZTICW-UHFFFAOYSA-N 1 0 308.338 1.673 20 5 DDBDRO C[N@@H+]1CC[C@](O)(CNc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000358335164 299124873 /nfs/dbraw/zinc/12/48/73/299124873.db2.gz ZBKFUNWRLTUXAF-HNNXBMFYSA-N 1 0 302.334 1.622 20 5 DDBDRO CCC[NH+]1CCC(NC(=O)Cn2cc([N+](=O)[O-])nc2C)CC1 ZINC000068467799 190768828 /nfs/dbraw/zinc/76/88/28/190768828.db2.gz LKNFLDXBSKKAPE-UHFFFAOYSA-N 1 0 309.370 1.090 20 5 DDBDRO CN(C(=O)Cc1cccc([N+](=O)[O-])c1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000358458806 299158745 /nfs/dbraw/zinc/15/87/45/299158745.db2.gz CJAGPNDINHXRHK-HNNXBMFYSA-N 1 0 303.362 1.832 20 5 DDBDRO C[C@H](NC(=O)NC[C@@H]1CCC[NH2+]C1)c1ccccc1[N+](=O)[O-] ZINC000417995378 299158881 /nfs/dbraw/zinc/15/88/81/299158881.db2.gz ZMMKKZOYOQXMFF-NWDGAFQWSA-N 1 0 306.366 1.955 20 5 DDBDRO COc1cc(C[NH2+][C@@H]2CCC[C@@H]2CCO)c([N+](=O)[O-])cc1O ZINC000189951140 186254051 /nfs/dbraw/zinc/25/40/51/186254051.db2.gz VXEUKZZQCLMOBE-ZYHUDNBSSA-N 1 0 310.350 1.950 20 5 DDBDRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000237468323 186293830 /nfs/dbraw/zinc/29/38/30/186293830.db2.gz BDRRWEQDYGBHEO-NWDGAFQWSA-N 1 0 307.350 1.559 20 5 DDBDRO Cc1cc(N(C)CC2CC[NH+](C[C@H](C)O)CC2)ncc1[N+](=O)[O-] ZINC000266840492 186355722 /nfs/dbraw/zinc/35/57/22/186355722.db2.gz MBHICLWHLHQEDM-ZDUSSCGKSA-N 1 0 322.409 1.827 20 5 DDBDRO CC(C)[N@H+](C)CCCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000041716301 352311695 /nfs/dbraw/zinc/31/16/95/352311695.db2.gz ABBNQTQHLRSBHG-UHFFFAOYSA-N 1 0 322.365 1.380 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000065867396 352966895 /nfs/dbraw/zinc/96/68/95/352966895.db2.gz UJBDVVJBXVMRNI-NEPJUHHUSA-N 1 0 323.397 1.336 20 5 DDBDRO CN1CC[NH+](CC2CCN(c3ccncc3[N+](=O)[O-])CC2)CC1 ZINC000066810505 353017595 /nfs/dbraw/zinc/01/75/95/353017595.db2.gz IRUAYMXIUWWTFV-UHFFFAOYSA-N 1 0 319.409 1.454 20 5 DDBDRO CCC[N@H+](C)CC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000358556342 299197144 /nfs/dbraw/zinc/19/71/44/299197144.db2.gz RBSZDXMMMYURBO-UHFFFAOYSA-N 1 0 320.393 1.585 20 5 DDBDRO O=C1CCCN1CC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000072665036 353208026 /nfs/dbraw/zinc/20/80/26/353208026.db2.gz XWOLIFAPHRBQEC-GFCCVEGCSA-N 1 0 319.365 1.098 20 5 DDBDRO O=C1CC2(CN1)CC[NH+](CCc1ccc([N+](=O)[O-])cc1)CC2 ZINC000075013888 353342899 /nfs/dbraw/zinc/34/28/99/353342899.db2.gz VCWSUJZNGNNZCU-UHFFFAOYSA-N 1 0 303.362 1.739 20 5 DDBDRO C[C@H](O)[C@@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248470813 354368966 /nfs/dbraw/zinc/36/89/66/354368966.db2.gz VJYJQXLRXJWSBF-MJBXVCDLSA-N 1 0 324.377 1.570 20 5 DDBDRO O=C(CC[NH2+]C1CC1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000320413462 354527470 /nfs/dbraw/zinc/52/74/70/354527470.db2.gz XWMXVTSPVNCNRC-UHFFFAOYSA-N 1 0 318.377 1.386 20 5 DDBDRO O=C(/C=C\c1ccc(F)cc1[N+](=O)[O-])N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000493454613 234822731 /nfs/dbraw/zinc/82/27/31/234822731.db2.gz BWTAPQIZBNXSNA-NTMLRVMTSA-N 1 0 319.336 1.958 20 5 DDBDRO O=[N+]([O-])c1ccc(CCn2cc([C@@H]3CCC[NH2+]C3)nn2)cc1 ZINC000404688302 354676612 /nfs/dbraw/zinc/67/66/12/354676612.db2.gz NMCNNOWNQUZUSJ-CYBMUJFWSA-N 1 0 301.350 1.896 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000584768279 354762433 /nfs/dbraw/zinc/76/24/33/354762433.db2.gz MNUYVJJXBFTKBS-GFCCVEGCSA-N 1 0 321.381 1.318 20 5 DDBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601310474 358490413 /nfs/dbraw/zinc/49/04/13/358490413.db2.gz PMJFASSNPBLPCY-SKDRFNHKSA-N 1 0 307.325 1.946 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[C@H](C(=O)OC)C2)c1 ZINC000589496338 354996043 /nfs/dbraw/zinc/99/60/43/354996043.db2.gz QCLUDLDQQVFFLE-NSHDSACASA-N 1 0 322.317 1.376 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000590010684 355039958 /nfs/dbraw/zinc/03/99/58/355039958.db2.gz OTTZBKPGGDFLLC-GXTWGEPZSA-N 1 0 318.377 1.478 20 5 DDBDRO Cc1nn(CCC(=O)N2CC[C@H]([NH+](C)C)[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000590402878 355085528 /nfs/dbraw/zinc/08/55/28/355085528.db2.gz KGESMIYIAPGYRC-AAEUAGOBSA-N 1 0 323.397 1.349 20 5 DDBDRO CCOC(=O)c1ccnc(N2CC[C@@H]([NH+](C)C)[C@H]2C)c1[N+](=O)[O-] ZINC000590568553 355116008 /nfs/dbraw/zinc/11/60/08/355116008.db2.gz FQNUMBXLRXNJPN-ZYHUDNBSSA-N 1 0 322.365 1.695 20 5 DDBDRO CNC(=O)c1ccc(N2CC[C@@H]([NH+](C)C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000590570407 355116475 /nfs/dbraw/zinc/11/64/75/355116475.db2.gz YSEPOVNBSFRPEP-CMPLNLGQSA-N 1 0 306.366 1.483 20 5 DDBDRO CNc1ccc(C(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000590441585 355095720 /nfs/dbraw/zinc/09/57/20/355095720.db2.gz DAKPKNWYHNDAFA-SMDDNHRTSA-N 1 0 304.350 1.413 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)c1[N+](=O)[O-] ZINC000590443482 355097457 /nfs/dbraw/zinc/09/74/57/355097457.db2.gz KMXMLCYFLYROCA-UWVGGRQHSA-N 1 0 307.354 1.217 20 5 DDBDRO CC[NH2+]CCCNC(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000591346292 355293592 /nfs/dbraw/zinc/29/35/92/355293592.db2.gz SCNMIPPFAMPRCL-UHFFFAOYSA-N 1 0 310.354 1.402 20 5 DDBDRO CCOC(=O)c1cc(N2CC[C@@H]3CC[NH2+][C@@H]3C2)ccc1[N+](=O)[O-] ZINC000591439348 355311128 /nfs/dbraw/zinc/31/11/28/355311128.db2.gz SZILRRZTVLYNFV-SMDDNHRTSA-N 1 0 319.361 1.960 20 5 DDBDRO C[C@@H]1Cc2ccccc2[C@H]1[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000591737477 355375393 /nfs/dbraw/zinc/37/53/93/355375393.db2.gz BQCOUIUURCZYSH-XFJVYGCCSA-N 1 0 316.361 1.675 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@H]1CCCSC1 ZINC000591749704 355376544 /nfs/dbraw/zinc/37/65/44/355376544.db2.gz QPNUHDYNZIRZRA-RYUDHWBXSA-N 1 0 312.391 1.820 20 5 DDBDRO O=[N+]([O-])c1cccnc1N1CC[NH+](CCC[C@@H]2CCOC2)CC1 ZINC000592124638 355506394 /nfs/dbraw/zinc/50/63/94/355506394.db2.gz HRMUCOPJAZVWKG-CQSZACIVSA-N 1 0 320.393 1.929 20 5 DDBDRO CC[C@@H]1CN(C(=O)c2cc(OC)ccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000592333456 355561168 /nfs/dbraw/zinc/56/11/68/355561168.db2.gz ZABSRPIMUYJWCX-MFKMUULPSA-N 1 0 307.350 1.803 20 5 DDBDRO COc1ccc(CC(=O)N2CCC(C)([NH3+])CC2)cc1[N+](=O)[O-] ZINC000592331720 355561205 /nfs/dbraw/zinc/56/12/05/355561205.db2.gz YCMGGKZBRVIDGZ-UHFFFAOYSA-N 1 0 307.350 1.486 20 5 DDBDRO O=C(CC[NH2+]C[C@@H]1CC[C@@H](O)C1)Nc1ccccc1[N+](=O)[O-] ZINC000592431338 355582125 /nfs/dbraw/zinc/58/21/25/355582125.db2.gz FONLQKUPBFJXGD-VXGBXAGGSA-N 1 0 307.350 1.674 20 5 DDBDRO CC1(C)C[NH2+]CCN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000592473558 355592684 /nfs/dbraw/zinc/59/26/84/355592684.db2.gz AVPMSVGWBDSXBK-UHFFFAOYSA-N 1 0 317.349 1.829 20 5 DDBDRO CC[C@H]1CN(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC[C@H]1[NH3+] ZINC000592486172 355596355 /nfs/dbraw/zinc/59/63/55/355596355.db2.gz XJUZOVCVKJFZHV-GXTWGEPZSA-N 1 0 320.393 1.901 20 5 DDBDRO C[C@H]1CN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC[C@@H]1[NH3+] ZINC000592427677 355580098 /nfs/dbraw/zinc/58/00/98/355580098.db2.gz PPRAOPDABQAEGX-JQWIXIFHSA-N 1 0 307.350 1.535 20 5 DDBDRO O=C(Cn1cc([N+](=O)[O-])cn1)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592555311 355627191 /nfs/dbraw/zinc/62/71/91/355627191.db2.gz XALJZNUKQPKQJG-QWHCGFSZSA-N 1 0 321.381 1.030 20 5 DDBDRO O=C(COc1cccc([N+](=O)[O-])c1)N[C@H]1CC[NH2+]C12CCCC2 ZINC000592570818 355633268 /nfs/dbraw/zinc/63/32/68/355633268.db2.gz SCSLQMXPQOYYOC-AWEZNQCLSA-N 1 0 319.361 1.765 20 5 DDBDRO Nc1c(C(=O)N[C@@H]2CC[NH2+]C23CCCC3)cccc1[N+](=O)[O-] ZINC000592571156 355633460 /nfs/dbraw/zinc/63/34/60/355633460.db2.gz STKOYRIXQPNFCW-GFCCVEGCSA-N 1 0 304.350 1.582 20 5 DDBDRO CC[C@@H]1C[N@H+](C)CCN1C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593165857 355816088 /nfs/dbraw/zinc/81/60/88/355816088.db2.gz WTWAQKDXYUUNKS-CYBMUJFWSA-N 1 0 309.341 1.829 20 5 DDBDRO C[N@@H+]1CCN(c2ncc([N+](=O)[O-])cn2)[C@H](Cc2ccccc2)C1 ZINC000593505594 355906441 /nfs/dbraw/zinc/90/64/41/355906441.db2.gz YAKPZRUQYDEXLS-CQSZACIVSA-N 1 0 313.361 1.748 20 5 DDBDRO CCO[C@@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2C)C[C@H]1C[NH3+] ZINC000593917253 356059270 /nfs/dbraw/zinc/05/92/70/356059270.db2.gz XQUUWJCUBZYYSJ-UKRRQHHQSA-N 1 0 321.377 1.268 20 5 DDBDRO CCc1n[nH]c(C(=O)N2CC[NH+](C(C)(C)CC)CC2)c1[N+](=O)[O-] ZINC000594389039 356193431 /nfs/dbraw/zinc/19/34/31/356193431.db2.gz DPANRKHEPODADW-UHFFFAOYSA-N 1 0 323.397 1.827 20 5 DDBDRO CNC(=O)c1ccc(NC[C@H]2C[C@@H]([NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000594591122 356258469 /nfs/dbraw/zinc/25/84/69/356258469.db2.gz FFHLMOIFBJEFRZ-KLPPZKSPSA-N 1 0 306.366 1.707 20 5 DDBDRO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NC[C@@H]1CCC[NH2+]C1 ZINC000594626860 356268554 /nfs/dbraw/zinc/26/85/54/356268554.db2.gz UBIOHGPPKORNEH-LLVKDONJSA-N 1 0 316.361 1.734 20 5 DDBDRO CCC[N@H+](CC)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000080791380 192190693 /nfs/dbraw/zinc/19/06/93/192190693.db2.gz CGPSEWFHCAYXLY-UHFFFAOYSA-N 1 0 315.395 1.605 20 5 DDBDRO COc1cccc([N+](=O)[O-])c1N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000594550071 356248565 /nfs/dbraw/zinc/24/85/65/356248565.db2.gz AAWIASCAFXZTDT-LBPRGKRZSA-N 1 0 308.382 1.651 20 5 DDBDRO Cc1ccc(CC[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1C ZINC000594716110 356294787 /nfs/dbraw/zinc/29/47/87/356294787.db2.gz JFPIRYZSOKEMDB-MRXNPFEDSA-N 1 0 318.377 1.601 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H](C)CN1CCOCC1 ZINC000595013724 356372491 /nfs/dbraw/zinc/37/24/91/356372491.db2.gz RVAXBQZSETVYCC-QWHCGFSZSA-N 1 0 323.393 1.975 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC[C@]1(O)CCOC1 ZINC000595048166 356376729 /nfs/dbraw/zinc/37/67/29/356376729.db2.gz VYDHPBPMIUOXEH-ABAIWWIYSA-N 1 0 310.350 1.796 20 5 DDBDRO C[C@@H]1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)C[C@@H]1[NH3+] ZINC000595228785 356412663 /nfs/dbraw/zinc/41/26/63/356412663.db2.gz LRFMDDGIVNKOCO-RNCFNFMXSA-N 1 0 302.334 1.885 20 5 DDBDRO C[NH2+]C[C@@H](C)NC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000595275379 356428915 /nfs/dbraw/zinc/42/89/15/356428915.db2.gz LQLHDARPROPYJE-GFCCVEGCSA-N 1 0 321.381 1.034 20 5 DDBDRO Cc1noc(CN2CCC([N@H+]3CCOC[C@@H]3C)CC2)c1[N+](=O)[O-] ZINC000595496404 356518944 /nfs/dbraw/zinc/51/89/44/356518944.db2.gz BLJIFNFYEVADKU-NSHDSACASA-N 1 0 324.381 1.576 20 5 DDBDRO O=C(CC[NH2+][C@H](CO)C1CCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000595617903 356579855 /nfs/dbraw/zinc/57/98/55/356579855.db2.gz VMNZOGWUYKQUFO-CQSZACIVSA-N 1 0 307.350 1.674 20 5 DDBDRO C[C@H]1C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@]1(C)CO ZINC000595871947 356686796 /nfs/dbraw/zinc/68/67/96/356686796.db2.gz IXWCYTFQLSDQEG-BONVTDFDSA-N 1 0 307.350 1.144 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)CC(C)(C)[NH3+] ZINC000595901800 356698538 /nfs/dbraw/zinc/69/85/38/356698538.db2.gz LQBXAOIBQAHOCD-UHFFFAOYSA-N 1 0 310.354 1.211 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000595908181 356700778 /nfs/dbraw/zinc/70/07/78/356700778.db2.gz ZLVIVDXXQXVHRN-VXGBXAGGSA-N 1 0 310.329 1.213 20 5 DDBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]CCOCCF)OCCO2 ZINC000596057433 356755167 /nfs/dbraw/zinc/75/51/67/356755167.db2.gz QLVXKLILZVPMLR-UHFFFAOYSA-N 1 0 300.286 1.442 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000237190834 202181776 /nfs/dbraw/zinc/18/17/76/202181776.db2.gz YZPXROOEEWXDIR-LLVKDONJSA-N 1 0 307.350 1.723 20 5 DDBDRO CCOC(=O)c1ccnc(N2CC(C[NH+](C)C)C2)c1[N+](=O)[O-] ZINC000596248014 356831975 /nfs/dbraw/zinc/83/19/75/356831975.db2.gz VHGIPPXVBXXCFI-UHFFFAOYSA-N 1 0 308.338 1.164 20 5 DDBDRO O=[N+]([O-])c1cnccc1NCC1CC[NH+](C2CCOCC2)CC1 ZINC000596314307 356854651 /nfs/dbraw/zinc/85/46/51/356854651.db2.gz DCFMBKUMGRCNRL-UHFFFAOYSA-N 1 0 320.393 1.715 20 5 DDBDRO COc1ccc(CC(=O)N2CCC3(C[NH+](C)C3)C2)cc1[N+](=O)[O-] ZINC000597572988 357233878 /nfs/dbraw/zinc/23/38/78/357233878.db2.gz VSFBYBLPWBTNFS-UHFFFAOYSA-N 1 0 319.361 1.310 20 5 DDBDRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CCn1cc([N+](=O)[O-])cn1)C2 ZINC000597714279 357299144 /nfs/dbraw/zinc/29/91/44/357299144.db2.gz HYYWNJNVSCZKMO-OAHLLOKOSA-N 1 0 321.381 1.126 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000597716944 357299930 /nfs/dbraw/zinc/29/99/30/357299930.db2.gz UFHDEVMLWVCTPH-HNNXBMFYSA-N 1 0 306.366 1.491 20 5 DDBDRO CCN(C(=O)CNc1ccccc1[N+](=O)[O-])[C@@H]1CC[N@H+](C)C1 ZINC000597947223 357395209 /nfs/dbraw/zinc/39/52/09/357395209.db2.gz WABXGJMKMGWTNT-GFCCVEGCSA-N 1 0 306.366 1.559 20 5 DDBDRO CCC[N@H+](C)CC(C)(C)NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000598466823 357593574 /nfs/dbraw/zinc/59/35/74/357593574.db2.gz WNSPLXNYRQYETN-UHFFFAOYSA-N 1 0 311.386 1.418 20 5 DDBDRO COc1cc(C(=O)N[C@H]2CCC[NH2+]C2)c([N+](=O)[O-])cc1OC ZINC000237273774 202212935 /nfs/dbraw/zinc/21/29/35/202212935.db2.gz TUIMFIRKERRSRO-VIFPVBQESA-N 1 0 309.322 1.094 20 5 DDBDRO [NH3+][C@@]12CCC[C@H]1CN(C(=O)CNc1ccccc1[N+](=O)[O-])C2 ZINC000598668593 357678434 /nfs/dbraw/zinc/67/84/34/357678434.db2.gz BATLLTQDUAGQSQ-XHDPSFHLSA-N 1 0 304.350 1.347 20 5 DDBDRO C[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C[C@H]1C[C@@H](O)C1 ZINC000599672347 358019377 /nfs/dbraw/zinc/01/93/77/358019377.db2.gz MAFLANDALMINAM-WJONMLJTSA-N 1 0 308.334 1.664 20 5 DDBDRO COc1ccc(CNC(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)cc1[N+](=O)[O-] ZINC000599909319 358078857 /nfs/dbraw/zinc/07/88/57/358078857.db2.gz XWVDAVNCBSJMGQ-PWSUYJOCSA-N 1 0 322.365 1.543 20 5 DDBDRO C[C@H]1CC[C@@H](NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)C[NH2+]1 ZINC000599932861 358084459 /nfs/dbraw/zinc/08/44/59/358084459.db2.gz CJHMKQWQKWEQEE-GXTWGEPZSA-N 1 0 320.393 1.919 20 5 DDBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)c1 ZINC000599989019 358097150 /nfs/dbraw/zinc/09/71/50/358097150.db2.gz RYYXWEASTVEQSW-IMRBUKKESA-N 1 0 321.402 1.949 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000600309482 358192258 /nfs/dbraw/zinc/19/22/58/358192258.db2.gz AISYIBJKKWDQPM-GFCCVEGCSA-N 1 0 306.366 1.760 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](CO)C(C)C ZINC000180607146 199184291 /nfs/dbraw/zinc/18/42/91/199184291.db2.gz DDPWYHBNZKMKQH-CQSZACIVSA-N 1 0 309.366 1.838 20 5 DDBDRO CC(C)[C@@H](CO)[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000180618279 199185683 /nfs/dbraw/zinc/18/56/83/199185683.db2.gz STLYYTQYEDZQRD-GFCCVEGCSA-N 1 0 306.322 1.751 20 5 DDBDRO Cc1cc(C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)c(N)c([N+](=O)[O-])c1 ZINC000237423625 202261143 /nfs/dbraw/zinc/26/11/43/202261143.db2.gz PLEQMHYQXILQQM-QWRGUYRKSA-N 1 0 306.366 1.685 20 5 DDBDRO O=[N+]([O-])c1ccc(CCO)c(-c2nc3c(s2)C[NH2+]CC3)c1 ZINC000600791826 358315543 /nfs/dbraw/zinc/31/55/43/358315543.db2.gz IEABJRLLVMZWEM-UHFFFAOYSA-N 1 0 305.359 1.899 20 5 DDBDRO C[NH2+]C1(CNC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CCC1 ZINC000600825259 358326938 /nfs/dbraw/zinc/32/69/38/358326938.db2.gz QTOQVSAFUFASFH-UHFFFAOYSA-N 1 0 321.333 1.238 20 5 DDBDRO CN(C)CC[N@H+](C)CCCN(C)c1ccsc1[N+](=O)[O-] ZINC000601165726 358429184 /nfs/dbraw/zinc/42/91/84/358429184.db2.gz FRDCPJUAJFAYJI-UHFFFAOYSA-N 1 0 300.428 1.976 20 5 DDBDRO CC[NH+](CC)[C@H]1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000181139733 199256988 /nfs/dbraw/zinc/25/69/88/199256988.db2.gz APBGHDTYZLVGEU-NSHDSACASA-N 1 0 306.366 1.733 20 5 DDBDRO O=C(COc1ccccc1[N+](=O)[O-])N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000601972042 358759378 /nfs/dbraw/zinc/75/93/78/358759378.db2.gz BLWKKPUHCAWDIH-ABAIWWIYSA-N 1 0 305.334 1.232 20 5 DDBDRO CNC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000348160658 283395993 /nfs/dbraw/zinc/39/59/93/283395993.db2.gz LTLVMHNZCCAKDJ-WDEREUQCSA-N 1 0 317.349 1.475 20 5 DDBDRO CC(C)(C(=O)N[C@H]1C[C@@H]([NH+]2CCCC2)C1)n1cc([N+](=O)[O-])cn1 ZINC000602165494 358858091 /nfs/dbraw/zinc/85/80/91/358858091.db2.gz AJTWEMRGMSVEOY-TXEJJXNPSA-N 1 0 321.381 1.269 20 5 DDBDRO NC(=O)[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602427402 358969620 /nfs/dbraw/zinc/96/96/20/358969620.db2.gz GUBPGYRSBXYGLD-VIFPVBQESA-N 1 0 317.267 1.921 20 5 DDBDRO CCN(CC[NH3+])C(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000602535736 359032228 /nfs/dbraw/zinc/03/22/28/359032228.db2.gz RATXHMDIGUNFHZ-SECBINFHSA-N 1 0 315.757 1.823 20 5 DDBDRO C[C@@H]1C[C@H]1N1C[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1=O ZINC000602560460 359045960 /nfs/dbraw/zinc/04/59/60/359045960.db2.gz ZSBSGUNAZDOFJD-OSAQELSMSA-N 1 0 303.362 1.736 20 5 DDBDRO Cn1cc(CN2CC[C@@H](C[N@H+](C)CC3CC3)C2)c([N+](=O)[O-])n1 ZINC000602479861 359005528 /nfs/dbraw/zinc/00/55/28/359005528.db2.gz RGSZSPOIXZSPRB-ZDUSSCGKSA-N 1 0 307.398 1.492 20 5 DDBDRO Cn1cc(CN2CCC(c3ccncn3)CC2)c([N+](=O)[O-])n1 ZINC000602688711 359125733 /nfs/dbraw/zinc/12/57/33/359125733.db2.gz YGIWLVOJFXYIGM-UHFFFAOYSA-N 1 0 302.338 1.498 20 5 DDBDRO CC(C)[C@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])C1(CO)CCCC1 ZINC000602835933 359226482 /nfs/dbraw/zinc/22/64/82/359226482.db2.gz ALTWBEZSPJWDGL-ZDUSSCGKSA-N 1 0 310.398 1.995 20 5 DDBDRO COC(=O)[C@@H]1CCCCC[C@@H]1[NH2+]Cc1cn(C)nc1[N+](=O)[O-] ZINC000602834822 359226940 /nfs/dbraw/zinc/22/69/40/359226940.db2.gz DQGOBOOJTRCOEZ-NEPJUHHUSA-N 1 0 310.354 1.540 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000602837807 359227561 /nfs/dbraw/zinc/22/75/61/359227561.db2.gz AAEUEOCDPILXJZ-KOLCDFICSA-N 1 0 322.287 1.345 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CN1CCC[C@](O)(C[NH+](C)C)C1 ZINC000602877041 359260029 /nfs/dbraw/zinc/26/00/29/359260029.db2.gz KNIWWQQAVNLCFO-INIZCTEOSA-N 1 0 323.393 1.492 20 5 DDBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H](O)C[C@@](C)(O)C1CC1 ZINC000602821804 359215962 /nfs/dbraw/zinc/21/59/62/359215962.db2.gz ACWYRPRIPKJFLL-DLBZAZTESA-N 1 0 322.405 1.981 20 5 DDBDRO Cc1cncc([N+](=O)[O-])c1NC(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000602951379 359317529 /nfs/dbraw/zinc/31/75/29/359317529.db2.gz JAIATILNGJUXIF-YPMHNXCESA-N 1 0 319.365 1.278 20 5 DDBDRO C[C@]1(CO)C[C@@H](O)C[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000602899322 359281275 /nfs/dbraw/zinc/28/12/75/359281275.db2.gz PNCNHHNHGNOMIP-UKRRQHHQSA-N 1 0 310.350 1.181 20 5 DDBDRO CC[C@@H](C)[NH+]1CCN(C(=O)Nc2c(C)cncc2[N+](=O)[O-])CC1 ZINC000602960513 359323997 /nfs/dbraw/zinc/32/39/97/359323997.db2.gz LAWQPTPIWLHAHJ-GFCCVEGCSA-N 1 0 321.381 1.668 20 5 DDBDRO C[C@](CO)([NH2+]CCOC[C@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000602965406 359329225 /nfs/dbraw/zinc/32/92/25/359329225.db2.gz FBGNILKLJHXNBB-HZPDHXFCSA-N 1 0 324.377 1.588 20 5 DDBDRO [NH3+]CCc1cn(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)nn1 ZINC000603230741 359500823 /nfs/dbraw/zinc/50/08/23/359500823.db2.gz GKCVQDKDVUWWRS-UHFFFAOYSA-N 1 0 315.255 1.755 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N(C)CC[N@H+](C)C2CC2)c1 ZINC000186740693 200001409 /nfs/dbraw/zinc/00/14/09/200001409.db2.gz BFMXOBNVHQGZKG-UHFFFAOYSA-N 1 0 307.350 1.770 20 5 DDBDRO C[C@@H]1COCC[N@@H+]1C1CCN(c2c([N+](=O)[O-])ncn2C)CC1 ZINC000603401240 359617728 /nfs/dbraw/zinc/61/77/28/359617728.db2.gz KICFDKWFIGFDRJ-LLVKDONJSA-N 1 0 309.370 1.018 20 5 DDBDRO Cn1cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)c([N+](=O)[O-])n1 ZINC000603430801 359635139 /nfs/dbraw/zinc/63/51/39/359635139.db2.gz VAIXNJCVJXTNOS-MCIONIFRSA-N 1 0 323.397 1.189 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)CC1(O)CCOCC1 ZINC000187059862 200054852 /nfs/dbraw/zinc/05/48/52/200054852.db2.gz QBUVMJNLOBTSLF-UHFFFAOYSA-N 1 0 310.350 1.577 20 5 DDBDRO CC[NH+](CC)CCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000188187790 200205880 /nfs/dbraw/zinc/20/58/80/200205880.db2.gz REFNIRBMMRXBLJ-UHFFFAOYSA-N 1 0 305.334 1.923 20 5 DDBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000237619999 202308161 /nfs/dbraw/zinc/30/81/61/202308161.db2.gz CHGKRPAKTUCZKN-WDEREUQCSA-N 1 0 309.391 1.896 20 5 DDBDRO COC1CC[NH+](CCN=c2[nH]c3ccc([N+](=O)[O-])cc3[nH]2)CC1 ZINC000618585020 363682731 /nfs/dbraw/zinc/68/27/31/363682731.db2.gz KDSCJLRRGRDSNJ-UHFFFAOYSA-N 1 0 319.365 1.416 20 5 DDBDRO Cc1nn(C)c(NCCCC[NH+]2CCN(C)CC2)c1[N+](=O)[O-] ZINC000609631803 360339214 /nfs/dbraw/zinc/33/92/14/360339214.db2.gz DHKAWNBPNGJNPQ-UHFFFAOYSA-N 1 0 310.402 1.076 20 5 DDBDRO O=[N+]([O-])c1cccc(F)c1CN1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000609572571 360326156 /nfs/dbraw/zinc/32/61/56/360326156.db2.gz FEGWCYYWDUTHFJ-HZPDHXFCSA-N 1 0 323.368 1.765 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@H](C)[NH+](C)C)c1 ZINC000281203532 216150803 /nfs/dbraw/zinc/15/08/03/216150803.db2.gz LBWVMPNCMVHERH-LBPRGKRZSA-N 1 0 309.366 1.738 20 5 DDBDRO Cc1nn(CCC(=O)NC[C@H](C)C[NH+](C)C)c(C)c1[N+](=O)[O-] ZINC000292412640 223060826 /nfs/dbraw/zinc/06/08/26/223060826.db2.gz PGAWSFWKYFDVFU-JTQLQIEISA-N 1 0 311.386 1.112 20 5 DDBDRO COc1cc(C[NH+]2CCC(OCCCO)CC2)ccc1[N+](=O)[O-] ZINC000611516435 360743780 /nfs/dbraw/zinc/74/37/80/360743780.db2.gz VOFXLFBVMAPMJT-UHFFFAOYSA-N 1 0 324.377 1.967 20 5 DDBDRO C[NH+](C)[C@@H]1CCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000006145060 181316230 /nfs/dbraw/zinc/31/62/30/181316230.db2.gz USTOKTQUDFUVCW-GFCCVEGCSA-N 1 0 313.379 1.061 20 5 DDBDRO C[N@H+]1CC=C(CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000271889664 209299581 /nfs/dbraw/zinc/29/95/81/209299581.db2.gz DLXBPHYEKYDLGP-UHFFFAOYSA-N 1 0 320.305 1.495 20 5 DDBDRO Cc1cc(S(=O)(=O)NCC2=CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000193383710 201042692 /nfs/dbraw/zinc/04/26/92/201042692.db2.gz VCFDXPDKZPKFLS-UHFFFAOYSA-N 1 0 311.363 1.101 20 5 DDBDRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000193481753 201059847 /nfs/dbraw/zinc/05/98/47/201059847.db2.gz LHUHRRAEAPDUOT-RYUDHWBXSA-N 1 0 306.366 1.288 20 5 DDBDRO Cn1ccc(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])n1 ZINC000566005099 304109761 /nfs/dbraw/zinc/10/97/61/304109761.db2.gz RSTJTFKLMRZYIC-UHFFFAOYSA-N 1 0 303.322 1.447 20 5 DDBDRO CCc1ccc(C(=O)N2CC[C@H](OC)C[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000359217753 299360724 /nfs/dbraw/zinc/36/07/24/299360724.db2.gz OIJJRQQAVBIGTD-KGLIPLIRSA-N 1 0 321.377 1.736 20 5 DDBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000566192097 304126982 /nfs/dbraw/zinc/12/69/82/304126982.db2.gz IDBPCMNFOHNLMR-MNOVXSKESA-N 1 0 322.365 1.493 20 5 DDBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000566192099 304127115 /nfs/dbraw/zinc/12/71/15/304127115.db2.gz IDBPCMNFOHNLMR-WDEREUQCSA-N 1 0 322.365 1.493 20 5 DDBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CCN1CCCOCC1 ZINC000349373454 283913404 /nfs/dbraw/zinc/91/34/04/283913404.db2.gz WRHPRICQXAZTSI-UTCJRWHESA-N 1 0 305.378 1.920 20 5 DDBDRO C[C@H]1CN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC[C@H]1[NH3+] ZINC000251902603 202830491 /nfs/dbraw/zinc/83/04/91/202830491.db2.gz WNHDRGJZKHPCCH-GXFFZTMASA-N 1 0 313.379 1.094 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000261674313 203092092 /nfs/dbraw/zinc/09/20/92/203092092.db2.gz CWFNVABJJGSJEG-UHFFFAOYSA-N 1 0 321.381 1.092 20 5 DDBDRO C[C@@H](CC[NH3+])NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000349988950 284127986 /nfs/dbraw/zinc/12/79/86/284127986.db2.gz NRMGLRVQLFSJJC-JTQLQIEISA-N 1 0 303.322 1.248 20 5 DDBDRO C[NH2+][C@H]1CCN(C(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000262382293 203279213 /nfs/dbraw/zinc/27/92/13/203279213.db2.gz YVLJKNIVQDAVHM-VIFPVBQESA-N 1 0 309.322 1.046 20 5 DDBDRO COC1(C(=O)NCCc2ccccc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000262453943 203298604 /nfs/dbraw/zinc/29/86/04/203298604.db2.gz WLZMYFPLYSDREE-UHFFFAOYSA-N 1 0 307.350 1.022 20 5 DDBDRO O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000293378802 223512756 /nfs/dbraw/zinc/51/27/56/223512756.db2.gz LGTUZSAFMLGLKF-TVQRCGJNSA-N 1 0 320.305 1.327 20 5 DDBDRO C[C@@H]1[C@H](C)[NH2+]CCN1S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000262751705 203398373 /nfs/dbraw/zinc/39/83/73/203398373.db2.gz GPAIWIQWHDEUCB-WDEREUQCSA-N 1 0 313.379 1.107 20 5 DDBDRO Cc1c(NC(=O)[C@H](C)N2C[C@H]3C[NH2+]C[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000359310568 299408375 /nfs/dbraw/zinc/40/83/75/299408375.db2.gz QQNMZQZJWQKPEI-YNEHKIRRSA-N 1 0 318.377 1.381 20 5 DDBDRO CCCc1n[nH]c(C(=O)NC[C@@H](C)[N@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000264698900 204086870 /nfs/dbraw/zinc/08/68/70/204086870.db2.gz VVWYBIJBFQBSDC-SECBINFHSA-N 1 0 309.370 1.483 20 5 DDBDRO C[N@@H+]1CCC[C@H]1CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000264939354 204286256 /nfs/dbraw/zinc/28/62/56/204286256.db2.gz VJMUCCSPRPEXSX-NSHDSACASA-N 1 0 302.334 1.900 20 5 DDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000351490744 284340231 /nfs/dbraw/zinc/34/02/31/284340231.db2.gz IYVLQRUCTZDQHG-PKIAMQTDSA-N 1 0 318.377 1.591 20 5 DDBDRO CCC[N@H+](C)C[C@H]1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000266194177 205172751 /nfs/dbraw/zinc/17/27/51/205172751.db2.gz HLFFQPLTUOJQNY-LLVKDONJSA-N 1 0 321.381 1.257 20 5 DDBDRO C[C@@]1(CO)CCC[C@@H]1[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000351525465 284361915 /nfs/dbraw/zinc/36/19/15/284361915.db2.gz SKMZSYQXKOZZBE-ZFWWWQNUSA-N 1 0 307.350 1.674 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC[C@H]1CC[NH2+]C1 ZINC000440838698 229842332 /nfs/dbraw/zinc/84/23/32/229842332.db2.gz UUNBUNSUMNCAIK-NSHDSACASA-N 1 0 313.379 1.099 20 5 DDBDRO Cc1c([C@@H](C)[NH2+]CC2(C(N)=O)CCOCC2)cccc1[N+](=O)[O-] ZINC000153157967 248299653 /nfs/dbraw/zinc/29/96/53/248299653.db2.gz LHRBXUNTENFOJX-GFCCVEGCSA-N 1 0 321.377 1.836 20 5 DDBDRO C[C@H](CC[NH3+])NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000336791126 249233436 /nfs/dbraw/zinc/23/34/36/249233436.db2.gz MQOQSAWWFNMSIN-SSDOTTSWSA-N 1 0 316.155 1.824 20 5 DDBDRO CC(C)[C@H](CCO)[NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000273937985 211191696 /nfs/dbraw/zinc/19/16/96/211191696.db2.gz CYXPUKZINAWZAG-FZMZJTMJSA-N 1 0 309.366 1.918 20 5 DDBDRO C[N@H+](CCCC(=O)NC(N)=O)CCc1ccccc1[N+](=O)[O-] ZINC000285213795 218335738 /nfs/dbraw/zinc/33/57/38/218335738.db2.gz DWQINGGKBPHLIY-UHFFFAOYSA-N 1 0 308.338 1.044 20 5 DDBDRO COc1cc(C(=O)N2CCCC[C@@H]2C[NH3+])cc([N+](=O)[O-])c1OC ZINC000269197676 207317513 /nfs/dbraw/zinc/31/75/13/207317513.db2.gz LYISPOIVLLRIBR-LLVKDONJSA-N 1 0 323.349 1.565 20 5 DDBDRO C[NH+](C)Cc1ccc(NC(=O)Cn2ccc([N+](=O)[O-])n2)c(F)c1 ZINC000412555572 224052607 /nfs/dbraw/zinc/05/26/07/224052607.db2.gz BZMSGCHMLUZWOY-UHFFFAOYSA-N 1 0 321.312 1.631 20 5 DDBDRO CC[NH+](CC)CCS(=O)(=O)NCc1ccccc1[N+](=O)[O-] ZINC000352333948 284971934 /nfs/dbraw/zinc/97/19/34/284971934.db2.gz YDMWLZHNRMUGBZ-UHFFFAOYSA-N 1 0 315.395 1.356 20 5 DDBDRO C[C@@]1(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)CCC[NH2+]C1 ZINC000272965951 210350565 /nfs/dbraw/zinc/35/05/65/210350565.db2.gz GQZFFCLOWFORLE-CQSZACIVSA-N 1 0 310.329 1.436 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CCN1CCc2cccc(F)c2C1 ZINC000157906003 197225253 /nfs/dbraw/zinc/22/52/53/197225253.db2.gz NNOLJQHYZLEBST-UHFFFAOYSA-N 1 0 317.320 1.954 20 5 DDBDRO CC[N@@H+]1CCN(CC(=O)Nc2c(C)cccc2[N+](=O)[O-])[C@H](C)C1 ZINC000352660764 285204874 /nfs/dbraw/zinc/20/48/74/285204874.db2.gz TVIVGBBDAJDQKS-CYBMUJFWSA-N 1 0 320.393 1.868 20 5 DDBDRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000156410042 197111213 /nfs/dbraw/zinc/11/12/13/197111213.db2.gz HBILVGRNIPAJTR-NWDGAFQWSA-N 1 0 306.366 1.593 20 5 DDBDRO C[C@H]1C[NH+](C)C[C@H](C)N1C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000155376643 197048450 /nfs/dbraw/zinc/04/84/50/197048450.db2.gz LHJAFAGRUYWANG-STQMWFEESA-N 1 0 320.393 1.582 20 5 DDBDRO C[C@H]1CN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC000155076682 197020023 /nfs/dbraw/zinc/02/00/23/197020023.db2.gz DVDPGLJGVPYVPP-JTQLQIEISA-N 1 0 304.350 1.603 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000414647740 533227511 /nfs/dbraw/zinc/22/75/11/533227511.db2.gz ACPNTRBJHINOGA-BXKDBHETSA-N 1 0 308.338 1.723 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414651147 533227915 /nfs/dbraw/zinc/22/79/15/533227915.db2.gz FGKZCGMGOSOWBX-NXEZZACHSA-N 1 0 308.338 1.865 20 5 DDBDRO COc1cccc(C(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)c1[N+](=O)[O-] ZINC000422762910 533417185 /nfs/dbraw/zinc/41/71/85/533417185.db2.gz NBXKNNODPCMNHE-GHMZBOCLSA-N 1 0 307.350 1.721 20 5 DDBDRO C[C@H]1CCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)C[C@H]1C[NH3+] ZINC000417233225 533609527 /nfs/dbraw/zinc/60/95/27/533609527.db2.gz NXJQMCQVDADLAD-GXTWGEPZSA-N 1 0 320.393 1.764 20 5 DDBDRO Cc1cc(S(=O)(=O)N[C@@H](C)[C@@H](C)[NH3+])c(C)cc1[N+](=O)[O-] ZINC000568653802 304305151 /nfs/dbraw/zinc/30/51/51/304305151.db2.gz HVMVPKGCKBTAOF-ZJUUUORDSA-N 1 0 301.368 1.226 20 5 DDBDRO CC[C@H]1C[N@H+](C)CCN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000569041922 304331978 /nfs/dbraw/zinc/33/19/78/304331978.db2.gz VIUTZWFLIJLKRY-ZDUSSCGKSA-N 1 0 321.377 1.916 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000070120775 292294509 /nfs/dbraw/zinc/29/45/09/292294509.db2.gz UWHXOQQPDACJIN-LLVKDONJSA-N 1 0 313.379 1.324 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CCCC[NH2+]C1 ZINC000070120776 292294951 /nfs/dbraw/zinc/29/49/51/292294951.db2.gz UWHXOQQPDACJIN-NSHDSACASA-N 1 0 313.379 1.324 20 5 DDBDRO Cc1ccc(S(=O)(=O)NC[C@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000070447421 406817577 /nfs/dbraw/zinc/81/75/77/406817577.db2.gz PDOVYXDQWRRAPH-NSHDSACASA-N 1 0 301.368 1.165 20 5 DDBDRO CC[NH+](CC)CCNC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000070710619 406822505 /nfs/dbraw/zinc/82/25/05/406822505.db2.gz YFDHGBTZILAWTR-UHFFFAOYSA-N 1 0 324.337 1.883 20 5 DDBDRO COC(=O)CC[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C(C)C ZINC000074321280 406908019 /nfs/dbraw/zinc/90/80/19/406908019.db2.gz UWOXKSHXKXQJMX-UHFFFAOYSA-N 1 0 323.349 1.467 20 5 DDBDRO [NH3+]C1CC(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000036265762 406978284 /nfs/dbraw/zinc/97/82/84/406978284.db2.gz KBKPLPSWMWGZDE-UHFFFAOYSA-N 1 0 305.743 1.016 20 5 DDBDRO C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000078572711 407034546 /nfs/dbraw/zinc/03/45/46/407034546.db2.gz GGEGAQUAOXFEJY-LLVKDONJSA-N 1 0 313.379 1.215 20 5 DDBDRO C[C@@H]1CN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)[C@@H](C)C[NH2+]1 ZINC000086468652 407112520 /nfs/dbraw/zinc/11/25/20/407112520.db2.gz JITAZQSPHZCTQY-MNOVXSKESA-N 1 0 313.379 1.107 20 5 DDBDRO CC[N@H+](C)CCNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000089620196 407142539 /nfs/dbraw/zinc/14/25/39/407142539.db2.gz GHKVTMIVDOLSGG-UHFFFAOYSA-N 1 0 301.368 1.362 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@H](n2cccn2)C1 ZINC000090524937 407168243 /nfs/dbraw/zinc/16/82/43/407168243.db2.gz OUDCIMBOEZKJMN-ZDUSSCGKSA-N 1 0 317.349 1.290 20 5 DDBDRO CC(=O)N1CCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000055900361 407208007 /nfs/dbraw/zinc/20/80/07/407208007.db2.gz GGCYQRRXPLCZFV-UHFFFAOYSA-N 1 0 321.377 1.918 20 5 DDBDRO CC(C)(C[NH2+]Cc1csc([N+](=O)[O-])c1)NS(C)(=O)=O ZINC000067005937 407266738 /nfs/dbraw/zinc/26/67/38/407266738.db2.gz GAATXZZFDVBPMT-UHFFFAOYSA-N 1 0 307.397 1.074 20 5 DDBDRO C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)NCc1ccco1 ZINC000122447061 407301692 /nfs/dbraw/zinc/30/16/92/407301692.db2.gz PMBWCLVTWDHEFX-NSHDSACASA-N 1 0 303.318 1.982 20 5 DDBDRO O=C(N[C@H]1CCC[NH2+]C1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000123931601 407343075 /nfs/dbraw/zinc/34/30/75/407343075.db2.gz CKBBQSXYOMEEAJ-LBPRGKRZSA-N 1 0 318.377 1.677 20 5 DDBDRO CC[C@@H]1CCN(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000125327009 407385298 /nfs/dbraw/zinc/38/52/98/407385298.db2.gz FSZXQOYOXCVEAQ-SNVBAGLBSA-N 1 0 321.333 1.994 20 5 DDBDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1c([N+](=O)[O-])cnn1C ZINC000125229540 407382715 /nfs/dbraw/zinc/38/27/15/407382715.db2.gz WCEWVXPVYWNCPV-LLVKDONJSA-N 1 0 309.370 1.275 20 5 DDBDRO CS[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])s2)C[C@@H]1[NH+](C)C ZINC000271019439 407473313 /nfs/dbraw/zinc/47/33/13/407473313.db2.gz HTLVLBULCOQFDK-WCBMZHEXSA-N 1 0 315.420 1.774 20 5 DDBDRO C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)C2 ZINC000185775415 407500671 /nfs/dbraw/zinc/50/06/71/407500671.db2.gz DRHXKDUSUSXYEC-WDEREUQCSA-N 1 0 306.322 1.004 20 5 DDBDRO C[C@@H]1C[C@@H](NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C[N@@H+]1C1CC1 ZINC000185820245 407511087 /nfs/dbraw/zinc/51/10/87/407511087.db2.gz QTDXWVQKRDJVPU-PSASIEDQSA-N 1 0 306.322 1.050 20 5 DDBDRO CS[C@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)C[C@@H]1[NH+](C)C ZINC000271122562 407526284 /nfs/dbraw/zinc/52/62/84/407526284.db2.gz LBYGTYVTOWNOMU-UWVGGRQHSA-N 1 0 315.420 1.774 20 5 DDBDRO COC(=O)[C@@H](C)CN(C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000114062257 407534472 /nfs/dbraw/zinc/53/44/72/407534472.db2.gz WZIMANYCLBZJTG-NSHDSACASA-N 1 0 323.349 1.583 20 5 DDBDRO Cc1c(C(=O)NC[C@H]2CCC[NH2+]2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000178763465 407591076 /nfs/dbraw/zinc/59/10/76/407591076.db2.gz WNWTYLSGQFKCLR-SECBINFHSA-N 1 0 308.294 1.293 20 5 DDBDRO Cn1cnnc1C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000152290500 407604131 /nfs/dbraw/zinc/60/41/31/407604131.db2.gz DDNCWCUUBFEMDO-CYBMUJFWSA-N 1 0 301.350 1.834 20 5 DDBDRO Cc1c(CN2CCN([C@@H]3CC[NH2+]C3)CC2)cccc1[N+](=O)[O-] ZINC000261816591 407625624 /nfs/dbraw/zinc/62/56/24/407625624.db2.gz AHGCSXRNLOAANC-OAHLLOKOSA-N 1 0 304.394 1.383 20 5 DDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1CCC[NH2+]1 ZINC000178921917 407658389 /nfs/dbraw/zinc/65/83/89/407658389.db2.gz SCZVFZQSPLKYSU-LLVKDONJSA-N 1 0 313.379 1.188 20 5 DDBDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000115437993 407679517 /nfs/dbraw/zinc/67/95/17/407679517.db2.gz PEUCKJHWAOFQQQ-LLVKDONJSA-N 1 0 306.366 1.591 20 5 DDBDRO CCCN(C(=O)CCn1nc(C)c([N+](=O)[O-])c1C)[C@H]1CC[NH2+]C1 ZINC000178935345 407662503 /nfs/dbraw/zinc/66/25/03/407662503.db2.gz MXNUMBHLQUNCTM-ZDUSSCGKSA-N 1 0 323.397 1.399 20 5 DDBDRO CC(C)([NH3+])CNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000236639639 407737714 /nfs/dbraw/zinc/73/77/14/407737714.db2.gz RWCKUJNZOQJTCT-UHFFFAOYSA-N 1 0 303.322 1.248 20 5 DDBDRO CO[C@H]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)[C@@H](C[NH3+])C1 ZINC000262103530 407741447 /nfs/dbraw/zinc/74/14/47/407741447.db2.gz JBKSUNBUTJGWCK-OLZOCXBDSA-N 1 0 311.313 1.312 20 5 DDBDRO Cc1ccc([C@H](C)[NH2+]CC2(C(N)=O)CCOCC2)cc1[N+](=O)[O-] ZINC000153146458 407762899 /nfs/dbraw/zinc/76/28/99/407762899.db2.gz SPNLSTWGDBBTBA-LBPRGKRZSA-N 1 0 321.377 1.836 20 5 DDBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000272124845 407784277 /nfs/dbraw/zinc/78/42/77/407784277.db2.gz ACKFBYGOXNLQCR-SNVBAGLBSA-N 1 0 309.370 1.131 20 5 DDBDRO C[NH2+]Cc1ccccc1NC(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000237141747 407800103 /nfs/dbraw/zinc/80/01/03/407800103.db2.gz IEGXGEMMWQINAY-UHFFFAOYSA-N 1 0 303.322 1.458 20 5 DDBDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])C1 ZINC000272185221 407808329 /nfs/dbraw/zinc/80/83/29/407808329.db2.gz DOKDQONNFNDELJ-RYUDHWBXSA-N 1 0 306.366 1.227 20 5 DDBDRO C[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)[C@@H]1C[NH3+] ZINC000237558399 407828464 /nfs/dbraw/zinc/82/84/64/407828464.db2.gz KESPKXDKXNKXGH-RKDXNWHRSA-N 1 0 319.408 1.404 20 5 DDBDRO CCC[C@@H]([NH2+]CCS(=O)(=O)NC)c1cccc([N+](=O)[O-])c1 ZINC000187200545 407832475 /nfs/dbraw/zinc/83/24/75/407832475.db2.gz LXXBWSSIGQXZLC-CYBMUJFWSA-N 1 0 315.395 1.575 20 5 DDBDRO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000238069318 407884702 /nfs/dbraw/zinc/88/47/02/407884702.db2.gz WNIJAWSUACVMAJ-MFKMUULPSA-N 1 0 309.391 1.931 20 5 DDBDRO O=C(NCCNc1ccccc1[N+](=O)[O-])[C@@H]1CC12CC[NH2+]CC2 ZINC000238131707 407893317 /nfs/dbraw/zinc/89/33/17/407893317.db2.gz ZVOSOVJXEDQURJ-LBPRGKRZSA-N 1 0 318.377 1.513 20 5 DDBDRO CC[N@H+](CCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)C(C)C ZINC000118119474 407895155 /nfs/dbraw/zinc/89/51/55/407895155.db2.gz ZIMJMCYUDXSSNY-UHFFFAOYSA-N 1 0 322.365 1.380 20 5 DDBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000268147752 407913165 /nfs/dbraw/zinc/91/31/65/407913165.db2.gz FKWCDIKLEIEZFC-OTYXRUKQSA-N 1 0 307.325 1.946 20 5 DDBDRO COCCC[N@H+](C)CCNC(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000153792641 407903443 /nfs/dbraw/zinc/90/34/43/407903443.db2.gz MIIKYEDQKAFBNF-UHFFFAOYSA-N 1 0 324.381 1.993 20 5 DDBDRO COC(=O)c1cc(NC(=O)[C@H]2CCC[NH2+]C2)cc([N+](=O)[O-])c1 ZINC000153825232 407909934 /nfs/dbraw/zinc/90/99/34/407909934.db2.gz NVMWMBPTTJZDTQ-VIFPVBQESA-N 1 0 307.306 1.320 20 5 DDBDRO CCOC(=O)c1ccnc(NC[C@H]2CCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000133474562 407847779 /nfs/dbraw/zinc/84/77/79/407847779.db2.gz MLHTZLQPTWIMHC-SNVBAGLBSA-N 1 0 308.338 1.673 20 5 DDBDRO CC[N@H+](C)CCN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272525897 407961538 /nfs/dbraw/zinc/96/15/38/407961538.db2.gz LXQJSOKPHORXSM-HNNXBMFYSA-N 1 0 317.393 1.959 20 5 DDBDRO C[N@H+](CCNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)C1CC1 ZINC000272447291 407926714 /nfs/dbraw/zinc/92/67/14/407926714.db2.gz QCSUVTWCOIYCHV-UHFFFAOYSA-N 1 0 307.306 1.148 20 5 DDBDRO Cc1nn(CCC(=O)N2CC[NH2+][C@H](C)[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000262783586 407928063 /nfs/dbraw/zinc/92/80/63/407928063.db2.gz LWOBADIZPQBIAJ-MWLCHTKSSA-N 1 0 309.370 1.007 20 5 DDBDRO CSCC[C@@H](C)[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000245450843 407987347 /nfs/dbraw/zinc/98/73/47/407987347.db2.gz OZRLKRWEXGKIDH-ZYHUDNBSSA-N 1 0 302.400 1.226 20 5 DDBDRO C[C@@H](CNC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)[NH+](C)C ZINC000272952871 408018458 /nfs/dbraw/zinc/01/84/58/408018458.db2.gz GNPQYVYEJOCMMC-HZMBPMFUSA-N 1 0 320.349 1.154 20 5 DDBDRO C[C@]1(O)CCC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000182325360 408125207 /nfs/dbraw/zinc/12/52/07/408125207.db2.gz VCZWPRXSMCASAO-WFASDCNBSA-N 1 0 310.350 1.181 20 5 DDBDRO CC[N@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000154753738 408078983 /nfs/dbraw/zinc/07/89/83/408078983.db2.gz FZDURLJKZVVNKR-UHFFFAOYSA-N 1 0 302.334 1.825 20 5 DDBDRO C[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])CC1(O)CCCC1 ZINC000182242309 408103755 /nfs/dbraw/zinc/10/37/55/408103755.db2.gz MXDVAMIGJIGSGO-CYBMUJFWSA-N 1 0 324.377 1.571 20 5 DDBDRO Cc1c(NC(=O)CC[N@H+]2CC[C@@H](C)[C@@H]2CO)cccc1[N+](=O)[O-] ZINC000190419993 408239140 /nfs/dbraw/zinc/23/91/40/408239140.db2.gz DCRGXLTXMQCLSY-ABAIWWIYSA-N 1 0 321.377 1.935 20 5 DDBDRO CCCCNC(=O)C1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176207986 408309810 /nfs/dbraw/zinc/30/98/10/408309810.db2.gz ZNWQGUUAQHEMDH-UHFFFAOYSA-N 1 0 323.397 1.420 20 5 DDBDRO COc1cc(OCC(=O)N(C)CC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000176380046 408351389 /nfs/dbraw/zinc/35/13/89/408351389.db2.gz FZHSRBYZNXQTTO-UHFFFAOYSA-N 1 0 311.338 1.002 20 5 DDBDRO C[C@@H](O)[C@H]1CC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000183182455 408345801 /nfs/dbraw/zinc/34/58/01/408345801.db2.gz UVZJBTZZAIWLEJ-PWSUYJOCSA-N 1 0 318.333 1.848 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[C@H]1CCC[NH2+]1 ZINC000166781575 162169013 /nfs/dbraw/zinc/16/90/13/162169013.db2.gz LXNVDPDUGQAXCT-LLVKDONJSA-N 1 0 313.379 1.324 20 5 DDBDRO CN(C)C(=O)[C@@H]1CCCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269621938 408363577 /nfs/dbraw/zinc/36/35/77/408363577.db2.gz BJCXZGMPKCVCEE-UONOGXRCSA-N 1 0 307.350 1.181 20 5 DDBDRO O=C(NCC1([NH+]2CCCC2)CCOCC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000264319800 408443627 /nfs/dbraw/zinc/44/36/27/408443627.db2.gz VAXPCPLEZZAHOV-UHFFFAOYSA-N 1 0 322.365 1.298 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000247511976 408484751 /nfs/dbraw/zinc/48/47/51/408484751.db2.gz VTHTYBKRYNZQCH-AAEUAGOBSA-N 1 0 323.397 1.431 20 5 DDBDRO CC[N@H+](C)CCNS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000191897388 408505632 /nfs/dbraw/zinc/50/56/32/408505632.db2.gz DQFRQXHLKSDJBE-UHFFFAOYSA-N 1 0 315.395 1.442 20 5 DDBDRO O=c1cc2c(n[nH]1)CC[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C2 ZINC000274868171 408562873 /nfs/dbraw/zinc/56/28/73/408562873.db2.gz DDMVXWIBVGHJIZ-UHFFFAOYSA-N 1 0 316.317 1.115 20 5 DDBDRO COc1cccc(C(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000192690353 408633146 /nfs/dbraw/zinc/63/31/46/408633146.db2.gz CVCKGRKQBODRJU-QWRGUYRKSA-N 1 0 319.361 1.958 20 5 DDBDRO Cc1cc(C)c(S(=O)(=O)N2CCC([NH3+])CC2)cc1[N+](=O)[O-] ZINC000193222719 408706459 /nfs/dbraw/zinc/70/64/59/408706459.db2.gz NRDMMQQUBQDHPL-UHFFFAOYSA-N 1 0 313.379 1.323 20 5 DDBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000184919502 408717377 /nfs/dbraw/zinc/71/73/77/408717377.db2.gz ZOBUTSVKLYTOLD-SNVBAGLBSA-N 1 0 307.354 1.128 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)[C@H]1CCN(C)C1=O ZINC000265628592 408719173 /nfs/dbraw/zinc/71/91/73/408719173.db2.gz DNYNDRBTWLAJLD-ZDUSSCGKSA-N 1 0 320.349 1.004 20 5 DDBDRO C[C@@H]1CC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@H]1CO ZINC000248997300 408674652 /nfs/dbraw/zinc/67/46/52/408674652.db2.gz YCBSFIUNHOCDRG-ABAIWWIYSA-N 1 0 319.361 1.187 20 5 DDBDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1c([N+](=O)[O-])cnn1C ZINC000162187934 408676198 /nfs/dbraw/zinc/67/61/98/408676198.db2.gz ZXVLOKSGHZPPDO-LBPRGKRZSA-N 1 0 323.397 1.713 20 5 DDBDRO CC[C@@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@@H]1O ZINC000270839069 408701843 /nfs/dbraw/zinc/70/18/43/408701843.db2.gz DUBCZFTUOQZMBS-DOMZBBRYSA-N 1 0 321.377 1.935 20 5 DDBDRO Cc1cc(S(=O)(=O)N(C)CC[NH+](C)C)cc([N+](=O)[O-])c1F ZINC000164569619 408800092 /nfs/dbraw/zinc/80/00/92/408800092.db2.gz VLVXNECCTHNOQA-UHFFFAOYSA-N 1 0 319.358 1.224 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@](C)(O)C1 ZINC000177973334 408748667 /nfs/dbraw/zinc/74/86/67/408748667.db2.gz PZHIEVNLIZETFC-OAHLLOKOSA-N 1 0 307.350 1.689 20 5 DDBDRO C[C@@H]1CN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CCO1 ZINC000185144606 408769594 /nfs/dbraw/zinc/76/95/94/408769594.db2.gz VJKLRYLQCFULDH-SNVBAGLBSA-N 1 0 311.313 1.783 20 5 DDBDRO C[NH+]1CCC([C@H]2CCN(C(=O)c3cc([N+](=O)[O-])n[nH]3)C2)CC1 ZINC000285791708 408864453 /nfs/dbraw/zinc/86/44/53/408864453.db2.gz OYRLYJXLAOGOMG-NSHDSACASA-N 1 0 307.354 1.122 20 5 DDBDRO C[N@@H+]1CC[C@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])cc3F)[C@H]2C1 ZINC000285924746 408890402 /nfs/dbraw/zinc/89/04/02/408890402.db2.gz UPXWZPNTQUWKED-UONOGXRCSA-N 1 0 323.324 1.279 20 5 DDBDRO C[C@H]1C[N@H+](CCCNC(=O)c2ccccc2[N+](=O)[O-])CCCO1 ZINC000277343466 408922991 /nfs/dbraw/zinc/92/29/91/408922991.db2.gz BDMHSISYKDYSSX-ZDUSSCGKSA-N 1 0 321.377 1.826 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCCC[C@H]1CC[NH3+] ZINC000286120355 408927216 /nfs/dbraw/zinc/92/72/16/408927216.db2.gz OJYQQCSDOGYZAC-LBPRGKRZSA-N 1 0 309.370 1.220 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000216062546 163330611 /nfs/dbraw/zinc/33/06/11/163330611.db2.gz YBVKTISMRWDWFC-QWRGUYRKSA-N 1 0 313.379 1.261 20 5 DDBDRO C[C@H](CCCC[NH3+])NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000292079871 408976002 /nfs/dbraw/zinc/97/60/02/408976002.db2.gz MBMLJHZDDUPIAU-SNVBAGLBSA-N 1 0 313.329 1.746 20 5 DDBDRO COCC(C)(C)[N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000292099538 408980749 /nfs/dbraw/zinc/98/07/49/408980749.db2.gz HUFMFAYEKOQQBW-GFCCVEGCSA-N 1 0 312.366 1.691 20 5 DDBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)C12CCC[NH+]1CCC2 ZINC000283184529 409105779 /nfs/dbraw/zinc/10/57/79/409105779.db2.gz HHTMASAVINDZQA-UHFFFAOYSA-N 1 0 303.362 1.882 20 5 DDBDRO C[NH2+][C@@H]1CCCN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000261783808 163702996 /nfs/dbraw/zinc/70/29/96/163702996.db2.gz POVRXUULELZDKF-CHWSQXEVSA-N 1 0 320.393 1.914 20 5 DDBDRO O=[N+]([O-])c1cnn(CCN2CCC3(C2)Oc2ccccc2O3)c1 ZINC000289086764 409217064 /nfs/dbraw/zinc/21/70/64/409217064.db2.gz UBGJTELBDYJQKR-UHFFFAOYSA-N 1 0 316.317 1.665 20 5 DDBDRO CN1CC[C@H]([NH2+]CCn2ccc([N+](=O)[O-])n2)[C@H]1c1ccccc1 ZINC000289324456 409249255 /nfs/dbraw/zinc/24/92/55/409249255.db2.gz CSJJWRQLFGULFF-GOEBONIOSA-N 1 0 315.377 1.826 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H](CO)C2CCCC2)c1 ZINC000289451390 409275144 /nfs/dbraw/zinc/27/51/44/409275144.db2.gz FZFVHMISCZRLNS-ZBFHGGJFSA-N 1 0 324.377 1.475 20 5 DDBDRO O=c1nc([C@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C2)[nH][nH]1 ZINC000289452640 409275504 /nfs/dbraw/zinc/27/55/04/409275504.db2.gz PFGXZJDBPWYVIA-NSHDSACASA-N 1 0 303.322 1.386 20 5 DDBDRO O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000289622477 409283826 /nfs/dbraw/zinc/28/38/26/409283826.db2.gz GVQJDWWIJVNONS-ZJUUUORDSA-N 1 0 309.753 1.930 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000284201015 409295506 /nfs/dbraw/zinc/29/55/06/409295506.db2.gz ZOQJEOBCJYYYOO-LBPRGKRZSA-N 1 0 319.361 1.914 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCCC[N@@H+](C)CCN(C)C ZINC000290203697 409321025 /nfs/dbraw/zinc/32/10/25/409321025.db2.gz SUQAZPBAKBECCU-UHFFFAOYSA-N 1 0 322.409 1.517 20 5 DDBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000290322962 409361315 /nfs/dbraw/zinc/36/13/15/409361315.db2.gz DOGUXVYCIQNGIN-PWSUYJOCSA-N 1 0 320.349 1.394 20 5 DDBDRO CC[NH+](CC)[C@H](C)CNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000280717481 409424256 /nfs/dbraw/zinc/42/42/56/409424256.db2.gz XXOJKYIOHYIFJR-GFCCVEGCSA-N 1 0 308.382 1.853 20 5 DDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000317075300 164025531 /nfs/dbraw/zinc/02/55/31/164025531.db2.gz ZCOPUBFPRKJFTO-MNOVXSKESA-N 1 0 304.350 1.534 20 5 DDBDRO COCC(=O)N1CCC([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000320034040 164040556 /nfs/dbraw/zinc/04/05/56/164040556.db2.gz OJZGZKCJRVPRMS-LBPRGKRZSA-N 1 0 321.377 1.883 20 5 DDBDRO O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000320789363 164043433 /nfs/dbraw/zinc/04/34/33/164043433.db2.gz YTTQOWBVXJXLET-GRJAPKLVSA-N 1 0 301.346 1.818 20 5 DDBDRO Nc1c(C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc(F)cc1[N+](=O)[O-] ZINC000324549125 164051178 /nfs/dbraw/zinc/05/11/78/164051178.db2.gz YAEUHGAPYHMVND-QWRGUYRKSA-N 1 0 322.340 1.673 20 5 DDBDRO Cc1cn(C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)nc1[N+](=O)[O-] ZINC000362330339 164155915 /nfs/dbraw/zinc/15/59/15/164155915.db2.gz PSJLOTRDHNHEIG-HNNXBMFYSA-N 1 0 316.361 1.519 20 5 DDBDRO C[C@@H]1CCOCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000373280174 164169241 /nfs/dbraw/zinc/16/92/41/164169241.db2.gz JMGOGFHUOUVIAQ-OLZOCXBDSA-N 1 0 310.350 1.445 20 5 DDBDRO Cc1nn(C)c(C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000408128957 164236407 /nfs/dbraw/zinc/23/64/07/164236407.db2.gz MLEWTVLSYRLYIP-GXSJLCMTSA-N 1 0 309.370 1.049 20 5 DDBDRO Cc1nn(C)c(C(=O)N2CCC[C@@H]([NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000408385691 164315535 /nfs/dbraw/zinc/31/55/35/164315535.db2.gz NOBLFQYVQNOQML-LLVKDONJSA-N 1 0 309.370 1.193 20 5 DDBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000345075455 409616727 /nfs/dbraw/zinc/61/67/27/409616727.db2.gz ODSZVTPOHWWGEL-CQSZACIVSA-N 1 0 320.393 1.873 20 5 DDBDRO CN(CC[N@H+](C)C1CC1)C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000354074615 409630974 /nfs/dbraw/zinc/63/09/74/409630974.db2.gz IMSCUVGKAAJTHM-UHFFFAOYSA-N 1 0 309.341 1.829 20 5 DDBDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000356867441 409678277 /nfs/dbraw/zinc/67/82/77/409678277.db2.gz YRBZYJRZROCSEU-GHMZBOCLSA-N 1 0 309.341 1.827 20 5 DDBDRO O=C(C[NH2+]C1(CO)CCCC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000305203670 409726604 /nfs/dbraw/zinc/72/66/04/409726604.db2.gz FXHZZUYNXYHUBU-UHFFFAOYSA-N 1 0 319.361 1.379 20 5 DDBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1cc([N+](=O)[O-])nn1C ZINC000346123380 409800385 /nfs/dbraw/zinc/80/03/85/409800385.db2.gz AULNMSJGZPKEHD-WDEREUQCSA-N 1 0 307.354 1.027 20 5 DDBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Cn2ccc([N+](=O)[O-])n2)C[C@H]1C ZINC000354379692 409811110 /nfs/dbraw/zinc/81/11/10/409811110.db2.gz CHBINFKHNOOXFL-VXGBXAGGSA-N 1 0 309.370 1.123 20 5 DDBDRO COc1cc(CN2CC[C@@H]3C[NH2+]C[C@H]3C2)c([N+](=O)[O-])cc1OC ZINC000357098431 409874841 /nfs/dbraw/zinc/87/48/41/409874841.db2.gz BGCBEDMASDXYOH-YPMHNXCESA-N 1 0 321.377 1.653 20 5 DDBDRO CCN(CCC[NH+](CC)CC)C(=O)c1c([N+](=O)[O-])cnn1C ZINC000357113916 409881242 /nfs/dbraw/zinc/88/12/42/409881242.db2.gz VQRJXVAUTFXFAU-UHFFFAOYSA-N 1 0 311.386 1.522 20 5 DDBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)NCC1CC[NH2+]CC1 ZINC000297296610 409899251 /nfs/dbraw/zinc/89/92/51/409899251.db2.gz VFJQZXCSPWFCMS-UHFFFAOYSA-N 1 0 320.393 1.903 20 5 DDBDRO C[C@H]1CCN(C)CCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000354617544 409971574 /nfs/dbraw/zinc/97/15/74/409971574.db2.gz UTUITKSJCWQDOB-NSHDSACASA-N 1 0 313.379 1.310 20 5 DDBDRO COc1ccc(CN2CCO[C@H]3CC[N@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000332321991 410065647 /nfs/dbraw/zinc/06/56/47/410065647.db2.gz RORRSKDNHWUOAB-ZBFHGGJFSA-N 1 0 321.377 1.508 20 5 DDBDRO COc1ccc(CN2CCO[C@@H]3CC[N@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000332321985 410066161 /nfs/dbraw/zinc/06/61/61/410066161.db2.gz RORRSKDNHWUOAB-GOEBONIOSA-N 1 0 321.377 1.508 20 5 DDBDRO CC(=O)c1cc(N2CCN(CCO)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000343034849 410090343 /nfs/dbraw/zinc/09/03/43/410090343.db2.gz BHSHHDXRYNXIFA-LLVKDONJSA-N 1 0 307.350 1.300 20 5 DDBDRO O=C(NCCCO)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000298743203 410376059 /nfs/dbraw/zinc/37/60/59/410376059.db2.gz YXQIQVXNNUFBNF-UHFFFAOYSA-N 1 0 321.377 1.305 20 5 DDBDRO C[NH+](C)[C@@H](CNC(=O)Cn1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000298745184 410379046 /nfs/dbraw/zinc/37/90/46/410379046.db2.gz YAPWAWYTSYRZKA-ZDUSSCGKSA-N 1 0 317.349 1.210 20 5 DDBDRO O=C1[C@@H]([N@@H+]2CCC[C@@H](O)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000339782695 410459828 /nfs/dbraw/zinc/45/98/28/410459828.db2.gz HESNXNCXLGUGCK-CABCVRRESA-N 1 0 319.361 1.547 20 5 DDBDRO Cn1c(C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)ccc1[N+](=O)[O-] ZINC000347319733 410466973 /nfs/dbraw/zinc/46/69/73/410466973.db2.gz OKCOCRYHROZTGE-LBPRGKRZSA-N 1 0 306.366 1.680 20 5 DDBDRO C[NH+](C)CC[C@@](C)(O)CNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000352107488 410484396 /nfs/dbraw/zinc/48/43/96/410484396.db2.gz QJVRAQWAWAWXRM-CQSZACIVSA-N 1 0 313.329 1.166 20 5 DDBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)NC[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000299040721 410496049 /nfs/dbraw/zinc/49/60/49/410496049.db2.gz RTCOVBZMDGUIAL-JSGCOSHPSA-N 1 0 321.377 1.849 20 5 DDBDRO C[C@@H]1C[C@H](C(=O)NCCNc2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000358674462 410516016 /nfs/dbraw/zinc/51/60/16/410516016.db2.gz AKXHOMNDQODHKV-VXGBXAGGSA-N 1 0 306.366 1.511 20 5 DDBDRO CC(C)[N@H+](C)CCNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000301137276 410664551 /nfs/dbraw/zinc/66/45/51/410664551.db2.gz BUZYAUIQGGPDOA-UHFFFAOYSA-N 1 0 308.338 1.678 20 5 DDBDRO CC(C)[C@@H]([NH3+])CCN(C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000336853011 410642044 /nfs/dbraw/zinc/64/20/44/410642044.db2.gz CAIGLUBRLXKENE-ZDUSSCGKSA-N 1 0 308.382 1.499 20 5 DDBDRO Cc1ccnc(N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c1[N+](=O)[O-] ZINC000301250332 410684524 /nfs/dbraw/zinc/68/45/24/410684524.db2.gz BVLXVJYAUHBORM-CQSZACIVSA-N 1 0 319.409 1.514 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000330575849 410790331 /nfs/dbraw/zinc/79/03/31/410790331.db2.gz GEEHLZVIRMOIPO-QWHCGFSZSA-N 1 0 320.393 1.866 20 5 DDBDRO CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1N)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000347928159 410795531 /nfs/dbraw/zinc/79/55/31/410795531.db2.gz UUJBQVVWBLMHSQ-LLVKDONJSA-N 1 0 322.340 1.625 20 5 DDBDRO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])n1C)[N@@H+]1CCC[C@@H](C)C1 ZINC000330586038 410801307 /nfs/dbraw/zinc/80/13/07/410801307.db2.gz SIRJJKNKNLOYKY-NEPJUHHUSA-N 1 0 308.382 1.784 20 5 DDBDRO C[C@H]1[C@@H](NC(=O)NCCc2ccccc2[N+](=O)[O-])CCC[N@@H+]1C ZINC000343851578 410748506 /nfs/dbraw/zinc/74/85/06/410748506.db2.gz DMPRQEQLFFAHNJ-JSGCOSHPSA-N 1 0 320.393 1.919 20 5 DDBDRO CC[NH+]1CCC(N(C)C(=O)c2c([N+](=O)[O-])c(C)nn2C)CC1 ZINC000330645660 410847502 /nfs/dbraw/zinc/84/75/02/410847502.db2.gz YYNUYMGPESZTCU-UHFFFAOYSA-N 1 0 309.370 1.193 20 5 DDBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000359766104 410862693 /nfs/dbraw/zinc/86/26/93/410862693.db2.gz SMOIAJAEBMRKGP-SNVBAGLBSA-N 1 0 310.354 1.546 20 5 DDBDRO CC[NH+](CC)CC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000337596976 410883736 /nfs/dbraw/zinc/88/37/36/410883736.db2.gz KCHMUOBYWOQSNT-UHFFFAOYSA-N 1 0 305.338 1.429 20 5 DDBDRO CCCc1n[nH]c(C(=O)N2CC[N@H+](C)CC[C@@H]2C)c1[N+](=O)[O-] ZINC000348517814 410996056 /nfs/dbraw/zinc/99/60/56/410996056.db2.gz YCAPDEDQGWVHGM-JTQLQIEISA-N 1 0 309.370 1.437 20 5 DDBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H](O)C(F)F ZINC000341365957 411025427 /nfs/dbraw/zinc/02/54/27/411025427.db2.gz RRAYGEDYLFSVET-GZMMTYOYSA-N 1 0 317.292 1.528 20 5 DDBDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1cc([N+](=O)[O-])nn1C ZINC000356451577 411039349 /nfs/dbraw/zinc/03/93/49/411039349.db2.gz WTHBDLYEHCOUTL-IJLUTSLNSA-N 1 0 323.397 1.425 20 5 DDBDRO CN(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CC(O)C1 ZINC000353519815 411042323 /nfs/dbraw/zinc/04/23/23/411042323.db2.gz ODUSEZQRAXVRPC-UHFFFAOYSA-N 1 0 304.306 1.600 20 5 DDBDRO O=[N+]([O-])c1ccc(NC[C@@H]2CCC[C@H]2[NH+]2CCOCC2)nc1 ZINC000360231847 411106657 /nfs/dbraw/zinc/10/66/57/411106657.db2.gz ZOQRFHHTXHMSPC-GXTWGEPZSA-N 1 0 306.366 1.903 20 5 DDBDRO O=[N+]([O-])c1cccc(N2CC[NH+](CCn3ccnc3)CC2)c1 ZINC000130668554 196100202 /nfs/dbraw/zinc/10/02/02/196100202.db2.gz ANARORPKXMAXGW-UHFFFAOYSA-N 1 0 301.350 1.614 20 5 DDBDRO C[NH2+]CCOCCN(C)C(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001120560214 782022979 /nfs/dbraw/zinc/02/29/79/782022979.db2.gz HOPSUDMOVHUAFY-GFCCVEGCSA-N 1 0 324.381 1.533 20 5 DDBDRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000419338957 226123888 /nfs/dbraw/zinc/12/38/88/226123888.db2.gz ZPGZCUBKBBVYRX-NWDGAFQWSA-N 1 0 311.357 1.621 20 5 DDBDRO C[C@@H]1CN(C(=O)CCOc2ccccc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000153797840 221643633 /nfs/dbraw/zinc/64/36/33/221643633.db2.gz LWARUEVJTSZSLC-TXEJJXNPSA-N 1 0 307.350 1.573 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000373737044 418454508 /nfs/dbraw/zinc/45/45/08/418454508.db2.gz FMRWXBWBEOBUHG-CFVMTHIKSA-N 1 0 303.362 1.989 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)n1 ZINC000191790398 418522949 /nfs/dbraw/zinc/52/29/49/418522949.db2.gz FZEKVBZEBWRGSH-GFCCVEGCSA-N 1 0 321.381 1.512 20 5 DDBDRO NC(=O)c1ccc(NC2CC[NH+](CC3CC3)CC2)c([N+](=O)[O-])c1 ZINC000194084999 418540600 /nfs/dbraw/zinc/54/06/00/418540600.db2.gz SZUJGLRGHGDGNZ-UHFFFAOYSA-N 1 0 318.377 1.980 20 5 DDBDRO C[C@@H]1CCCC[N@@H+]1CCNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290507292 418576716 /nfs/dbraw/zinc/57/67/16/418576716.db2.gz LGIHTFAFNWQDHY-SNVBAGLBSA-N 1 0 307.354 1.375 20 5 DDBDRO COc1cc(C(=O)N[C@H]2C[C@H]2C2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000361097900 418582842 /nfs/dbraw/zinc/58/28/42/418582842.db2.gz QTJQFQQDGWETBK-STQMWFEESA-N 1 0 319.361 1.721 20 5 DDBDRO COCC[C@H]1COCCN1CCOc1ccccc1[N+](=O)[O-] ZINC000291296344 222293266 /nfs/dbraw/zinc/29/32/66/222293266.db2.gz RTDATBAAZFZMBM-ZDUSSCGKSA-N 1 0 310.350 1.711 20 5 DDBDRO [NH3+][C@@H]1CCC[C@@]12CCN(C(=O)c1ccc([N+](=O)[O-])c([O-])c1)C2 ZINC000367648208 418619275 /nfs/dbraw/zinc/61/92/75/418619275.db2.gz GGNKNGMSZAKUOD-HIFRSBDPSA-N 1 0 305.334 1.644 20 5 DDBDRO Cc1nn(C)c(C)c1C[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375392743 418633515 /nfs/dbraw/zinc/63/35/15/418633515.db2.gz OTHYUGKJENZTFT-CYBMUJFWSA-N 1 0 318.381 1.979 20 5 DDBDRO CC[NH+]1CCC(Nc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000362832180 418760157 /nfs/dbraw/zinc/76/01/57/418760157.db2.gz WIYVQNWLBHFVRN-UHFFFAOYSA-N 1 0 317.349 2.541 20 5 DDBDRO O=C(CCn1cc([N+](=O)[O-])cn1)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000371232344 418770173 /nfs/dbraw/zinc/77/01/73/418770173.db2.gz RUZGAKOTKBIQSL-OCCSQVGLSA-N 1 0 321.381 1.172 20 5 DDBDRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc([N+](=O)[O-])cc1 ZINC000364468281 418777915 /nfs/dbraw/zinc/77/79/15/418777915.db2.gz ZOLKBZIFPFNPDL-KGLIPLIRSA-N 1 0 305.334 1.188 20 5 DDBDRO Cc1cn2c(n1)CC[C@@H](NC(=O)c1ccccc1[N+](=O)[O-])C2 ZINC000364745626 418806834 /nfs/dbraw/zinc/80/68/34/418806834.db2.gz ZFIGBSYMLCKTMD-LLVKDONJSA-N 1 0 300.318 1.845 20 5 DDBDRO CCCC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC(N)=O ZINC000411170664 418875631 /nfs/dbraw/zinc/87/56/31/418875631.db2.gz CCEOLHJQAUJDKM-UHFFFAOYSA-N 1 0 322.365 1.511 20 5 DDBDRO C[C@@H]1CC2(CN1C(=O)c1ccc([N+](=O)[O-])n1C)CC[NH2+]CC2 ZINC000424226781 228248842 /nfs/dbraw/zinc/24/88/42/228248842.db2.gz SMYKRQQOISENJZ-LLVKDONJSA-N 1 0 306.366 1.538 20 5 DDBDRO Cc1ccc([C@H](C)NC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1[N+](=O)[O-] ZINC000417857690 419356995 /nfs/dbraw/zinc/35/69/95/419356995.db2.gz UJEJEMPHGVDRSB-PQFRYHKHSA-N 1 0 304.350 1.481 20 5 DDBDRO C[C@H]1C[C@@H](CO)C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000420930639 419361954 /nfs/dbraw/zinc/36/19/54/419361954.db2.gz CRRPVFNDTKNSIB-QWHCGFSZSA-N 1 0 321.377 1.874 20 5 DDBDRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000417938193 419400438 /nfs/dbraw/zinc/40/04/38/419400438.db2.gz JBSPBVFPUQNQGN-DZGCQCFKSA-N 1 0 320.393 1.954 20 5 DDBDRO C[C@H]([NH3+])C1CCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 ZINC000417940625 419402961 /nfs/dbraw/zinc/40/29/61/419402961.db2.gz LZXQDOPVKZRNCG-LBPRGKRZSA-N 1 0 320.393 1.906 20 5 DDBDRO CN(C(=O)C[N@H+](C)[C@@H]1CCCC[C@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000426226207 419411016 /nfs/dbraw/zinc/41/10/16/419411016.db2.gz GSXDLHZYGMWMIO-HUUCEWRRSA-N 1 0 321.377 1.793 20 5 DDBDRO COc1cc(C[N@@H+]2CC[C@H](CO)[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000425974224 419374817 /nfs/dbraw/zinc/37/48/17/419374817.db2.gz LGIUCRBQQWZHIJ-GHMZBOCLSA-N 1 0 310.350 1.815 20 5 DDBDRO CN(C)C(=O)C1([NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000411916673 419486260 /nfs/dbraw/zinc/48/62/60/419486260.db2.gz WPYRQDLIQRSEFL-UHFFFAOYSA-N 1 0 320.349 1.134 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CC[C@@]23CCOC3)c1 ZINC000421041761 419464975 /nfs/dbraw/zinc/46/49/75/419464975.db2.gz YPJDGCDNRPXWOY-HIFRSBDPSA-N 1 0 308.334 1.199 20 5 DDBDRO COc1ccc(C[NH2+][C@H](CO)[C@@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000411993535 419552104 /nfs/dbraw/zinc/55/21/04/419552104.db2.gz LNHJITFQZPTNJN-CHWSQXEVSA-N 1 0 310.350 1.481 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000428999787 228776739 /nfs/dbraw/zinc/77/67/39/228776739.db2.gz VZANGKIVQPLRCZ-WDEREUQCSA-N 1 0 307.350 1.721 20 5 DDBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000418414513 419786041 /nfs/dbraw/zinc/78/60/41/419786041.db2.gz ZWHAPMYHCOHVCX-CQSZACIVSA-N 1 0 306.366 1.516 20 5 DDBDRO CC(C)[N@@H+]1CCCC[C@@H]1Cn1cc([N+](=O)[O-])cc(C(N)=O)c1=O ZINC000412995633 419765528 /nfs/dbraw/zinc/76/55/28/419765528.db2.gz ZYKFKHWZSKVALH-LLVKDONJSA-N 1 0 322.365 1.118 20 5 DDBDRO O=C(CCN1CC[C@@H]2[NH2+]CC[C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000428036907 419797105 /nfs/dbraw/zinc/79/71/05/419797105.db2.gz RXFMPHXYENDRFA-DOMZBBRYSA-N 1 0 318.377 1.607 20 5 DDBDRO CC[C@]1(O)CC[N@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000428441565 419868459 /nfs/dbraw/zinc/86/84/59/419868459.db2.gz WQAASDVLUJKEDT-HNNXBMFYSA-N 1 0 310.350 1.959 20 5 DDBDRO [NH3+]Cc1cn([C@H]2CCCN(Cc3cccc([N+](=O)[O-])c3)C2)nn1 ZINC000415135509 419961182 /nfs/dbraw/zinc/96/11/82/419961182.db2.gz WSFOQLKRFPNEHG-HNNXBMFYSA-N 1 0 316.365 1.482 20 5 DDBDRO C[C@@H]1[C@H](C)[NH2+]CCN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000436059107 229445064 /nfs/dbraw/zinc/44/50/64/229445064.db2.gz MXKSTKBNHAMXSV-WDEREUQCSA-N 1 0 317.349 1.827 20 5 DDBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000418785428 419982502 /nfs/dbraw/zinc/98/25/02/419982502.db2.gz HYFKEFRYTOFRKT-OCCSQVGLSA-N 1 0 320.393 1.906 20 5 DDBDRO C[C@H](C[NH3+])CN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000423314288 420009085 /nfs/dbraw/zinc/00/90/85/420009085.db2.gz XYKXZFKNRBAHMJ-RISCZKNCSA-N 1 0 303.366 1.602 20 5 DDBDRO C[C@H](C[NH3+])CN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000423313201 420009806 /nfs/dbraw/zinc/00/98/06/420009806.db2.gz WJMJQOFMRIFMPD-BXUZGUMPSA-N 1 0 303.366 1.602 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](C[NH3+])C[C@H]2C)c1 ZINC000423461596 420055144 /nfs/dbraw/zinc/05/51/44/420055144.db2.gz JVNUKZDWWGTRTD-GHMZBOCLSA-N 1 0 307.350 1.803 20 5 DDBDRO C[NH+](C)CC[C@](C)(O)CNC(=O)c1csc([N+](=O)[O-])c1 ZINC000420057436 420106505 /nfs/dbraw/zinc/10/65/05/420106505.db2.gz ZWUUUNNISCKHMB-LBPRGKRZSA-N 1 0 301.368 1.089 20 5 DDBDRO COCC[NH2+]CC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423718591 420141079 /nfs/dbraw/zinc/14/10/79/420141079.db2.gz CWWNPBQDLMHVKQ-UHFFFAOYSA-N 1 0 307.350 1.322 20 5 DDBDRO CC[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000423719025 420141192 /nfs/dbraw/zinc/14/11/92/420141192.db2.gz DUVLTZLWOIJGLT-GXSJLCMTSA-N 1 0 303.322 1.798 20 5 DDBDRO COc1ccc(NC(=O)CCN2CC[NH2+]C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000420306091 420194001 /nfs/dbraw/zinc/19/40/01/420194001.db2.gz ZTVBAYPXROFGKZ-NSHDSACASA-N 1 0 322.365 1.226 20 5 DDBDRO C[C@@H]([NH3+])[C@@H]1CCCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000430597213 420151690 /nfs/dbraw/zinc/15/16/90/420151690.db2.gz QCILIPQIUMDNQH-CHWSQXEVSA-N 1 0 320.393 1.617 20 5 DDBDRO C[NH2+]C[C@@H]1CCCN([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000430605037 420154880 /nfs/dbraw/zinc/15/48/80/420154880.db2.gz PKGAVFWCUUHKLG-OLZOCXBDSA-N 1 0 320.393 1.853 20 5 DDBDRO Cc1c(NC(=O)C(=O)N[C@@H](C)CCCC[NH3+])cccc1[N+](=O)[O-] ZINC000415749073 420164595 /nfs/dbraw/zinc/16/45/95/420164595.db2.gz ZTKZIGIJCXLCDD-JTQLQIEISA-N 1 0 322.365 1.475 20 5 DDBDRO C[C@H]1CN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000420342665 420222766 /nfs/dbraw/zinc/22/27/66/420222766.db2.gz XQCWPPZXNDEXOT-VIFPVBQESA-N 1 0 312.757 1.480 20 5 DDBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000420360914 420234938 /nfs/dbraw/zinc/23/49/38/420234938.db2.gz HOUVAILUZICTIX-BFQNTYOBSA-N 1 0 320.393 1.534 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)N2CC[N@H+](C)CC[C@H]2C)c1[N+](=O)[O-] ZINC000433748450 420254207 /nfs/dbraw/zinc/25/42/07/420254207.db2.gz LCBQWOIFOLYZEF-SNVBAGLBSA-N 1 0 309.370 1.608 20 5 DDBDRO C[C@H]1CCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C[NH3+] ZINC000420397033 420261232 /nfs/dbraw/zinc/26/12/32/420261232.db2.gz FXASONVOJHFQDO-STQMWFEESA-N 1 0 320.393 1.474 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC[C@H]2CCC[NH2+]2)c1 ZINC000420426506 420278851 /nfs/dbraw/zinc/27/88/51/420278851.db2.gz WACYFNPIYYPEHN-LLVKDONJSA-N 1 0 313.379 1.242 20 5 DDBDRO CN(C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)[C@@H](C[NH3+])C1CC1 ZINC000423949473 420280136 /nfs/dbraw/zinc/28/01/36/420280136.db2.gz MVHGOFHWGJPDBL-LBPRGKRZSA-N 1 0 303.322 1.280 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@H](C)CCC[NH3+])c1 ZINC000420437874 420287022 /nfs/dbraw/zinc/28/70/22/420287022.db2.gz KJABXKLAWSTVEW-SNVBAGLBSA-N 1 0 315.395 1.617 20 5 DDBDRO CCc1ccccc1[C@H]([NH3+])CNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000423970861 420287237 /nfs/dbraw/zinc/28/72/37/420287237.db2.gz GLSNAHYNLQCAKS-CQSZACIVSA-N 1 0 317.349 1.170 20 5 DDBDRO CN(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C1CC([NH3+])C1 ZINC000420335200 420218883 /nfs/dbraw/zinc/21/88/83/420218883.db2.gz PKOQYCBDKKYYOD-UHFFFAOYSA-N 1 0 312.757 1.608 20 5 DDBDRO CC(C)[C@@H]1C[N@H+](C)CCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000425482001 420395625 /nfs/dbraw/zinc/39/56/25/420395625.db2.gz QOPBZUXPMDCMDY-AWEZNQCLSA-N 1 0 308.382 1.029 20 5 DDBDRO O=C([C@H]1CC[NH2+]1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000444202122 230064010 /nfs/dbraw/zinc/06/40/10/230064010.db2.gz ZNNWTUYVWDXCLH-CQSZACIVSA-N 1 0 305.334 1.327 20 5 DDBDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000417768690 420474192 /nfs/dbraw/zinc/47/41/92/420474192.db2.gz RUQBPYYYRWKEEN-DGCLKSJQSA-N 1 0 306.366 1.435 20 5 DDBDRO [NH3+][C@H]1CCC[C@H](NC(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000417774548 420475054 /nfs/dbraw/zinc/47/50/54/420475054.db2.gz ZJBQHIRKLAUZQP-STQMWFEESA-N 1 0 306.366 1.706 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H]1CCC[C@@]1(C)CO ZINC000492892904 420700504 /nfs/dbraw/zinc/70/05/04/420700504.db2.gz PHNPNZBDXRMFSQ-CJNGLKHVSA-N 1 0 321.377 1.982 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)NCc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000454283926 420830291 /nfs/dbraw/zinc/83/02/91/420830291.db2.gz XOZCSZPYNTVNTI-OCCSQVGLSA-N 1 0 304.350 1.440 20 5 DDBDRO C[C@H]1CN(CCO)CCN1C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000493392994 420836353 /nfs/dbraw/zinc/83/63/53/420836353.db2.gz RGDQNIDBGATEGH-IRBQFCFKSA-N 1 0 319.361 1.133 20 5 DDBDRO CNc1nc(C(=O)NC[C@@H](C)C[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000454864570 420934603 /nfs/dbraw/zinc/93/46/03/420934603.db2.gz UHPLPRCWWVEQKF-LLVKDONJSA-N 1 0 321.381 1.493 20 5 DDBDRO [NH3+][C@@H]1CCC[C@H](CNC(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000449640496 421043038 /nfs/dbraw/zinc/04/30/38/421043038.db2.gz SFNSXHLWYYUEEH-NWDGAFQWSA-N 1 0 307.350 1.607 20 5 DDBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N[C@H]1C[NH2+]CCC1(F)F ZINC000449662902 421050399 /nfs/dbraw/zinc/05/03/99/421050399.db2.gz HMKYMQDHEVZKKO-LBPRGKRZSA-N 1 0 313.304 1.641 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCN(CCCO)C1 ZINC000449395180 421007063 /nfs/dbraw/zinc/00/70/63/421007063.db2.gz IIPXGKGMECUDPS-ZBFHGGJFSA-N 1 0 321.421 1.962 20 5 DDBDRO C[C@@H](CNC(=O)NCCNc1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000455426538 421012151 /nfs/dbraw/zinc/01/21/51/421012151.db2.gz DEBUJATWAWTBJI-NSHDSACASA-N 1 0 309.370 1.256 20 5 DDBDRO CC[C@H]([NH3+])CNC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000449607345 421037135 /nfs/dbraw/zinc/03/71/35/421037135.db2.gz XIFOSTYCZXRNNN-WPRPVWTQSA-N 1 0 315.757 1.869 20 5 DDBDRO CNc1nc(C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000456019964 421089563 /nfs/dbraw/zinc/08/95/63/421089563.db2.gz IOKUWNFUAOTOEZ-BXKDBHETSA-N 1 0 319.365 1.244 20 5 DDBDRO C[C@@H]1C[N@H+](CCO)CCN1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000449786393 421082148 /nfs/dbraw/zinc/08/21/48/421082148.db2.gz NMYODXAENJIQKC-KXQLTZBTSA-N 1 0 305.378 1.606 20 5 DDBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC000525727207 421298723 /nfs/dbraw/zinc/29/87/23/421298723.db2.gz LBNDHBZBLDHKDG-GFCCVEGCSA-N 1 0 308.382 1.737 20 5 DDBDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2ccnc(N)c2[N+](=O)[O-])C1 ZINC000548414115 421435374 /nfs/dbraw/zinc/43/53/74/421435374.db2.gz PRXHXPGSJLVGKK-LLVKDONJSA-N 1 0 321.381 1.422 20 5 DDBDRO COCC[N@H+](C)CCNc1ccc([N+](=O)[O-])c(OC(C)C)n1 ZINC000567915531 421616688 /nfs/dbraw/zinc/61/66/88/421616688.db2.gz VSWGQARBZQNDHE-UHFFFAOYSA-N 1 0 312.370 1.767 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CC2=CCOCC2)c1 ZINC000570273630 421632796 /nfs/dbraw/zinc/63/27/96/421632796.db2.gz PPHOEKOTZVRPGE-AWEZNQCLSA-N 1 0 308.334 1.271 20 5 DDBDRO C[C@@H]1C[C@H](C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCO1 ZINC000554446021 421640626 /nfs/dbraw/zinc/64/06/26/421640626.db2.gz WZZJRKOKFUQTTN-ZIAGYGMSSA-N 1 0 320.393 1.927 20 5 DDBDRO CCc1ccc(S(=O)(=O)NC[C@@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000519646291 421713404 /nfs/dbraw/zinc/71/34/04/421713404.db2.gz BCGVARLKJRHRBL-GFCCVEGCSA-N 1 0 315.395 1.419 20 5 DDBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000571519090 421722883 /nfs/dbraw/zinc/72/28/83/421722883.db2.gz AYTVTXRQKXSDAO-GHMZBOCLSA-N 1 0 306.366 1.788 20 5 DDBDRO CC(C)[N@@H+]1CC[C@@H](CNc2ccc3ncc([N+](=O)[O-])n3n2)C1 ZINC000572185641 421767980 /nfs/dbraw/zinc/76/79/80/421767980.db2.gz VEGHCHGOZMSKAC-NSHDSACASA-N 1 0 304.354 1.780 20 5 DDBDRO COC(=O)c1cc(C)nc(NC[C@H]2CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000557572542 421777174 /nfs/dbraw/zinc/77/71/74/421777174.db2.gz WHMFRNVJGNVYKA-LLVKDONJSA-N 1 0 322.365 1.839 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000572425039 421786629 /nfs/dbraw/zinc/78/66/29/421786629.db2.gz GLWAAVQQFGRMAY-LLVKDONJSA-N 1 0 307.350 1.675 20 5 DDBDRO COc1ccc(CC(=O)N2[C@H](C)C[N@@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000559320868 421832813 /nfs/dbraw/zinc/83/28/13/421832813.db2.gz PEQZPSRRGIIQBX-TXEJJXNPSA-N 1 0 321.377 1.697 20 5 DDBDRO CC1(C)C(=O)N[C@@H]1C1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000573621891 421990138 /nfs/dbraw/zinc/99/01/38/421990138.db2.gz PXCMUFBUDAMCNN-CYBMUJFWSA-N 1 0 321.381 1.028 20 5 DDBDRO CNc1nccc(C(=O)NCCC[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000582054154 422096335 /nfs/dbraw/zinc/09/63/35/422096335.db2.gz GXAAPCMMXCRZPB-UHFFFAOYSA-N 1 0 321.381 1.637 20 5 DDBDRO CNc1ccc(C(=O)NCC[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000574987712 422228323 /nfs/dbraw/zinc/22/83/23/422228323.db2.gz MLBBXAKWVKUJCO-NSHDSACASA-N 1 0 306.366 1.756 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCC[C@@H]1C(=O)NC ZINC000345819384 272343792 /nfs/dbraw/zinc/34/37/92/272343792.db2.gz PPWOPJJKURYVNF-KBPBESRZSA-N 1 0 321.377 1.998 20 5 DDBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)Cn2cc([N+](=O)[O-])nc2C)C[C@H]1C ZINC000345913761 272363304 /nfs/dbraw/zinc/36/33/04/272363304.db2.gz WANITMJPBZLHSB-GHMZBOCLSA-N 1 0 309.370 1.041 20 5 DDBDRO COC(=O)c1cnc(N(C)CC[N@H+](C)C2CC2)c([N+](=O)[O-])c1 ZINC000189390498 274008153 /nfs/dbraw/zinc/00/81/53/274008153.db2.gz BCLLVCJTQWEIPT-UHFFFAOYSA-N 1 0 308.338 1.307 20 5 DDBDRO COc1cc(N2CCC([NH2+]CCO)CC2)c([N+](=O)[O-])cc1F ZINC000290966528 274096267 /nfs/dbraw/zinc/09/62/67/274096267.db2.gz PFRIQQVMZBWXEO-UHFFFAOYSA-N 1 0 313.329 1.293 20 5 DDBDRO CCC[C@@H]1CN(c2ncc([N+](=O)[O-])cn2)CC[N@@H+]1CCOC ZINC000273948037 276031697 /nfs/dbraw/zinc/03/16/97/276031697.db2.gz MKHZVNSZCZMZOZ-GFCCVEGCSA-N 1 0 309.370 1.322 20 5 DDBDRO CC[NH+]1CCN([C@H]2CCN(c3ncc(C)cc3[N+](=O)[O-])C2)CC1 ZINC000266176331 276202272 /nfs/dbraw/zinc/20/22/72/276202272.db2.gz AYTFVJJYCXPBSX-AWEZNQCLSA-N 1 0 319.409 1.514 20 5 DDBDRO CCS(=O)(=O)C[C@H](C)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449138136 276389073 /nfs/dbraw/zinc/38/90/73/276389073.db2.gz HGWKBIXLHSDJMH-RYUDHWBXSA-N 1 0 314.407 1.939 20 5 DDBDRO CC[NH2+][C@H](C)CNC(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000417200783 276423210 /nfs/dbraw/zinc/42/32/10/276423210.db2.gz UXFZNNKAGCLVJV-SNVBAGLBSA-N 1 0 310.354 1.401 20 5 DDBDRO C[C@@H](CC[NH3+])NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000418083716 278230260 /nfs/dbraw/zinc/23/02/60/278230260.db2.gz MQDLAZPYHVLHNO-QMMMGPOBSA-N 1 0 306.326 1.008 20 5 DDBDRO C[C@@H]([NH3+])[C@@H](C)NC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000418690626 278310275 /nfs/dbraw/zinc/31/02/75/278310275.db2.gz CZRHGYAMVNCNIC-NXEZZACHSA-N 1 0 308.338 1.235 20 5 DDBDRO C[C@H](NC(=O)N[C@H]1CC[NH2+]C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000417147127 533691174 /nfs/dbraw/zinc/69/11/74/533691174.db2.gz ZDMRDFHCDXLNAD-MJVIPROJSA-N 1 0 306.366 1.953 20 5 DDBDRO CCN(CCC[NH+]1CCCC1)C(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000287723045 279181862 /nfs/dbraw/zinc/18/18/62/279181862.db2.gz GHBPUYMCORANIA-UHFFFAOYSA-N 1 0 322.365 1.643 20 5 DDBDRO CC[N@H+](CCNC(=O)NCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000102006553 281047070 /nfs/dbraw/zinc/04/70/70/281047070.db2.gz AGUCQQWPUDWSCC-UHFFFAOYSA-N 1 0 306.366 1.878 20 5 DDBDRO O=C(N[C@@H]1CCC[NH2+]C1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000238125132 281889050 /nfs/dbraw/zinc/88/90/50/281889050.db2.gz SKAMUSCJJCNQNH-LLVKDONJSA-N 1 0 315.333 1.262 20 5 DDBDRO CNC(=O)CCC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447529676 290383935 /nfs/dbraw/zinc/38/39/35/290383935.db2.gz MOPMKGKAQPALON-VXGBXAGGSA-N 1 0 309.370 1.391 20 5 DDBDRO Cc1nn(C)c(C(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000288382071 293699335 /nfs/dbraw/zinc/69/93/35/293699335.db2.gz LUXDJURGMBVELM-CMPLNLGQSA-N 1 0 321.381 1.336 20 5 DDBDRO O=C(NC1CC[NH+](CCc2ccccc2)CC1)[C@H]1C[C@H]1[N+](=O)[O-] ZINC000363305887 300248589 /nfs/dbraw/zinc/24/85/89/300248589.db2.gz UNPPXEBNRRDBIT-JKSUJKDBSA-N 1 0 317.389 1.475 20 5 DDBDRO O=[N+]([O-])c1cc(CN2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cs1 ZINC000363707840 300299824 /nfs/dbraw/zinc/29/98/24/300299824.db2.gz BAKPSZYKDNBLRN-OLZOCXBDSA-N 1 0 311.407 1.687 20 5 DDBDRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000277520480 300325704 /nfs/dbraw/zinc/32/57/04/300325704.db2.gz KYMNHXZYXPNTCM-GXSJLCMTSA-N 1 0 321.333 1.094 20 5 DDBDRO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000364350384 300382139 /nfs/dbraw/zinc/38/21/39/300382139.db2.gz XTEZEFSDJIXDSR-HUUCEWRRSA-N 1 0 321.381 1.267 20 5 DDBDRO O=C(COc1cccc([N+](=O)[O-])c1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000365364240 300501931 /nfs/dbraw/zinc/50/19/31/300501931.db2.gz XPDXTUUKYSASDB-BXUZGUMPSA-N 1 0 305.334 1.184 20 5 DDBDRO CCOc1ccc(C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000366564874 300717588 /nfs/dbraw/zinc/71/75/88/300717588.db2.gz HMFMXBQEZOSZKZ-CHWSQXEVSA-N 1 0 319.361 1.818 20 5 DDBDRO COCC[C@]1(C(=O)NCc2ccc([N+](=O)[O-])cc2)CC[NH2+]C1 ZINC000368453035 301030974 /nfs/dbraw/zinc/03/09/74/301030974.db2.gz GNYSIAKSCWBXSO-OAHLLOKOSA-N 1 0 307.350 1.227 20 5 DDBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)Cc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000368596675 301061484 /nfs/dbraw/zinc/06/14/84/301061484.db2.gz VVHQXTMTTFQXKN-SWLSCSKDSA-N 1 0 303.362 1.690 20 5 DDBDRO Cc1c(C[N@@H+]2CCC[C@@H](N3CCNC3=O)C2)cccc1[N+](=O)[O-] ZINC000368804837 301090124 /nfs/dbraw/zinc/09/01/24/301090124.db2.gz JBOBJSACXYEBFU-CQSZACIVSA-N 1 0 318.377 1.893 20 5 DDBDRO CN(C(=O)[C@H]1C[C@@H]1[N+](=O)[O-])C1CC[NH+](Cc2ccncc2)CC1 ZINC000368818426 301092495 /nfs/dbraw/zinc/09/24/95/301092495.db2.gz UIKMNBHQDOIQGO-GJZGRUSLSA-N 1 0 318.377 1.170 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CCO[C@H]3CC[N@@H+](C)C[C@@H]32)n1 ZINC000408028736 301204616 /nfs/dbraw/zinc/20/46/16/301204616.db2.gz FMMSCEYJTUAKGG-STQMWFEESA-N 1 0 306.366 1.516 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000370634060 301375273 /nfs/dbraw/zinc/37/52/73/301375273.db2.gz IFVGKSLNTWJIMB-ZDUSSCGKSA-N 1 0 319.361 1.914 20 5 DDBDRO NC(=O)C[C@@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000377495282 302185672 /nfs/dbraw/zinc/18/56/72/302185672.db2.gz XOEWUGZNLFBFSR-NSHDSACASA-N 1 0 320.349 1.121 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC(C)(C)CC[NH3+] ZINC000397171954 302352460 /nfs/dbraw/zinc/35/24/60/302352460.db2.gz FFPWJADPIFIWGI-UHFFFAOYSA-N 1 0 301.368 1.309 20 5 DDBDRO C[C@@H]1C[C@H](C)N(CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000397308533 302353576 /nfs/dbraw/zinc/35/35/76/302353576.db2.gz IBJROYVSOFDTPI-AGIUHOORSA-N 1 0 320.393 1.839 20 5 DDBDRO NC(=O)c1ccc(CN[C@@H](C[NH3+])C2CCCCC2)c([N+](=O)[O-])c1 ZINC000420356958 302383699 /nfs/dbraw/zinc/38/36/99/302383699.db2.gz HHWJJRGDCZHBIH-AWEZNQCLSA-N 1 0 320.393 1.691 20 5 DDBDRO COc1ccc(CC(=O)N(C)CC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000524257328 302903958 /nfs/dbraw/zinc/90/39/58/302903958.db2.gz IIBCUJYPOWYXDS-UHFFFAOYSA-N 1 0 321.377 1.700 20 5 DDBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccc2c(c1)OCCO2 ZINC000530865543 303217818 /nfs/dbraw/zinc/21/78/18/303217818.db2.gz QHDYNFWKSKGVAX-UHFFFAOYSA-N 1 0 318.333 1.695 20 5 DDBDRO COC(=O)CC1([NH2+]CCn2ccc([N+](=O)[O-])n2)CCCCC1 ZINC000532723881 303295046 /nfs/dbraw/zinc/29/50/46/303295046.db2.gz CKVBCKJNPNQKSU-UHFFFAOYSA-N 1 0 310.354 1.647 20 5 DDBDRO COC(=O)c1cnc(NC[C@H](C2CC2)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000357706891 306908188 /nfs/dbraw/zinc/90/81/88/306908188.db2.gz LKCITJVOBKENJV-GFCCVEGCSA-N 1 0 308.338 1.529 20 5 DDBDRO [NH3+][C@H]1CCC[C@]12CCN(C(=O)COc1ccccc1[N+](=O)[O-])C2 ZINC000364182025 307043095 /nfs/dbraw/zinc/04/30/95/307043095.db2.gz DECOGRSFLYXSJR-GOEBONIOSA-N 1 0 319.361 1.704 20 5 DDBDRO CC(C)(O)C[N@@H+]1CCCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000366687347 307079690 /nfs/dbraw/zinc/07/96/90/307079690.db2.gz MXNLFEOLZDSWJE-UHFFFAOYSA-N 1 0 321.377 1.514 20 5 DDBDRO COc1cc(C[N@@H+]2CC[C@@](O)(C3CC3)C2)c([N+](=O)[O-])cc1OC ZINC000369683106 307126704 /nfs/dbraw/zinc/12/67/04/307126704.db2.gz IXKOHSMTTVHZFX-INIZCTEOSA-N 1 0 322.361 1.959 20 5 DDBDRO O=C(CC[NH2+][C@@H]1CC[S@](=O)C1)Nc1ccccc1[N+](=O)[O-] ZINC000564848270 308008425 /nfs/dbraw/zinc/00/84/25/308008425.db2.gz DTCFSVSCUYNWST-UZJPJQLHSA-N 1 0 311.363 1.034 20 5 DDBDRO COc1ccc(CC(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000565417663 308030430 /nfs/dbraw/zinc/03/04/30/308030430.db2.gz IOYFINVYCDWAFU-AAEUAGOBSA-N 1 0 321.377 1.650 20 5 DDBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000567925673 308100036 /nfs/dbraw/zinc/10/00/36/308100036.db2.gz QYNWWXWNKOZGDW-UWVGGRQHSA-N 1 0 323.349 1.151 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2CC[C@H]3CCC[C@H]3C2)c1 ZINC000569214473 308137025 /nfs/dbraw/zinc/13/70/25/308137025.db2.gz SPKQXLIHWALLNM-QVHKTLOISA-N 1 0 308.382 1.711 20 5 DDBDRO CC(F)(F)CC[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000569715812 308148175 /nfs/dbraw/zinc/14/81/75/308148175.db2.gz RIUBZFPGJLHUAP-NSHDSACASA-N 1 0 304.293 1.969 20 5 DDBDRO O=C1NCC[C@]12CCC[N@H+]2CCOc1ccc([N+](=O)[O-])cc1 ZINC000569822964 308151424 /nfs/dbraw/zinc/15/14/24/308151424.db2.gz ZKCZOKYSVSIFKF-OAHLLOKOSA-N 1 0 305.334 1.328 20 5 DDBDRO CC(C)(CO)CC[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000576107990 308289108 /nfs/dbraw/zinc/28/91/08/308289108.db2.gz HBTDFJQBTNWMQD-ZDUSSCGKSA-N 1 0 312.366 1.333 20 5 DDBDRO CCn1nnc(C)c1C[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000576343331 308307847 /nfs/dbraw/zinc/30/78/47/308307847.db2.gz RSGBBOCNKDLMRB-UHFFFAOYSA-N 1 0 305.338 1.683 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)n1 ZINC000576762992 308338162 /nfs/dbraw/zinc/33/81/62/308338162.db2.gz KBQAZJFDCIZIRV-SNVBAGLBSA-N 1 0 307.354 1.025 20 5 DDBDRO C[N@@H+]1CC[C@@H](Cn2nc(-c3ccccc3[N+](=O)[O-])oc2=O)C1 ZINC000577371156 308382893 /nfs/dbraw/zinc/38/28/93/308382893.db2.gz QCUXFOWPIWFNHI-SNVBAGLBSA-N 1 0 304.306 1.363 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H]1C[C@H](O)C1(C)C ZINC000577742700 308411289 /nfs/dbraw/zinc/41/12/89/308411289.db2.gz DGFIWRXPWGPZIP-STQMWFEESA-N 1 0 307.350 1.591 20 5 DDBDRO COc1ccc(CC(=O)N[C@H]2CC[NH2+]CC2(C)C)cc1[N+](=O)[O-] ZINC000578217236 308446406 /nfs/dbraw/zinc/44/64/06/308446406.db2.gz JJASILQIUXTDST-AWEZNQCLSA-N 1 0 321.377 1.650 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CCC(F)(F)F)c1 ZINC000579344044 308524411 /nfs/dbraw/zinc/52/44/11/308524411.db2.gz RGWHSSBQWMVERA-SNVBAGLBSA-N 1 0 308.256 1.877 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C2CC(C(F)(F)F)C2)c1 ZINC000583689471 336951566 /nfs/dbraw/zinc/95/15/66/336951566.db2.gz SANXOMYIKVPFFK-SFVIPPHHSA-N 1 0 308.260 1.083 20 5 DDBDRO CCC[NH2+]CCNS(=O)(=O)c1ccc(CC)c([N+](=O)[O-])c1 ZINC000582845355 337205396 /nfs/dbraw/zinc/20/53/96/337205396.db2.gz QLMJYVRKPFGLCL-UHFFFAOYSA-N 1 0 315.395 1.435 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@H](CO)CC2CCC2)c1 ZINC000582905542 337213992 /nfs/dbraw/zinc/21/39/92/337213992.db2.gz RYPFBBZLGGCPSN-ZFWWWQNUSA-N 1 0 324.377 1.475 20 5 DDBDRO [NH3+][C@H]1CCCO[C@H]1C1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000583135321 337243297 /nfs/dbraw/zinc/24/32/97/337243297.db2.gz PBKJECCCHADNNH-ZFWWWQNUSA-N 1 0 306.366 1.713 20 5 DDBDRO C[C@@H](O)[C@H]1C[C@H](C)CC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000443349075 533859245 /nfs/dbraw/zinc/85/92/45/533859245.db2.gz SYPVCIUBNNRCJE-YRGRVCCFSA-N 1 0 309.366 1.238 20 5 DDBDRO COC(=O)c1cc(NC(=O)[C@H]2C[C@H](C)CC[NH2+]2)cc([N+](=O)[O-])c1 ZINC000422998206 533885898 /nfs/dbraw/zinc/88/58/98/533885898.db2.gz CPCBBABHLKBHEW-NOZJJQNGSA-N 1 0 321.333 1.708 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000428044610 534338615 /nfs/dbraw/zinc/33/86/15/534338615.db2.gz UNYRWTAGHGSOIQ-GXTWGEPZSA-N 1 0 318.377 1.526 20 5 DDBDRO CC[N@@H+]1CCCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000158221122 521612602 /nfs/dbraw/zinc/61/26/02/521612602.db2.gz PAHOJLFBLMVWQB-UHFFFAOYSA-N 1 0 320.393 1.951 20 5 DDBDRO C[NH2+]C[C@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000156619979 522088622 /nfs/dbraw/zinc/08/86/22/522088622.db2.gz BIILVJPWPJGWRQ-GFCCVEGCSA-N 1 0 313.379 1.276 20 5 DDBDRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000154812936 525086578 /nfs/dbraw/zinc/08/65/78/525086578.db2.gz WJTZSBJHICPBPC-BXUZGUMPSA-N 1 0 321.352 1.972 20 5 DDBDRO CCO[C@@H]1C[C@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)[C@H]1SC ZINC000297790034 527939293 /nfs/dbraw/zinc/93/92/93/527939293.db2.gz WRJZCYLPCLBMKQ-QJPTWQEYSA-N 1 0 300.384 1.290 20 5 DDBDRO CCC[NH2+]CCNC(=O)c1cc(C(=O)OCC)cc([N+](=O)[O-])c1 ZINC000423463317 528509056 /nfs/dbraw/zinc/50/90/56/528509056.db2.gz PULRZSSAGJGAIO-UHFFFAOYSA-N 1 0 323.349 1.501 20 5 DDBDRO CCC[NH2+]CCN[C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000414868319 528514302 /nfs/dbraw/zinc/51/43/02/528514302.db2.gz JWSPOIPMMQFUTQ-GFCCVEGCSA-N 1 0 308.382 1.901 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000457384854 528610985 /nfs/dbraw/zinc/61/09/85/528610985.db2.gz UQQWEPFFLQJYGD-VXGBXAGGSA-N 1 0 319.361 1.675 20 5 DDBDRO CC1(C)C[NH2+]CC[C@@H]1NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000449702353 529129591 /nfs/dbraw/zinc/12/95/91/529129591.db2.gz YZOFRVLRUAJOBB-AWEZNQCLSA-N 1 0 320.393 1.901 20 5 DDBDRO CC[NH+](CC)[C@@H](C)CNc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000736532390 598498808 /nfs/dbraw/zinc/49/88/08/598498808.db2.gz CPKCUURLEFSULX-VIFPVBQESA-N 1 0 320.357 1.312 20 5 DDBDRO C[C@@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1)[N@H+](C)C1CC1 ZINC000736027085 598500843 /nfs/dbraw/zinc/50/08/43/598500843.db2.gz XABOFAGOOXGYJF-QMMMGPOBSA-N 1 0 318.341 1.065 20 5 DDBDRO C[NH+](C)[C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC000736755698 598506496 /nfs/dbraw/zinc/50/64/96/598506496.db2.gz DEBFOEREWJBJKV-NSHDSACASA-N 1 0 317.353 1.305 20 5 DDBDRO O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1NCC[NH+]1CCCCC1 ZINC000823625205 606698857 /nfs/dbraw/zinc/69/88/57/606698857.db2.gz TVHGDNTTWIJYDT-UHFFFAOYSA-N 1 0 318.341 1.068 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000746882330 700043331 /nfs/dbraw/zinc/04/33/31/700043331.db2.gz LQOUHRLHVGCPGK-JTQLQIEISA-N 1 0 323.324 1.466 20 5 DDBDRO CC(=O)OC1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000153322292 696913232 /nfs/dbraw/zinc/91/32/32/696913232.db2.gz ZLEBOWAPLXNTCI-HNNXBMFYSA-N 1 0 308.334 1.656 20 5 DDBDRO Cc1c(C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000153869182 696922978 /nfs/dbraw/zinc/92/29/78/696922978.db2.gz XTNBGFJDFHMMHP-DTORHVGOSA-N 1 0 322.321 1.634 20 5 DDBDRO C[NH+](C)[C@H]1Cc2ccccc2N(Cn2nccc2[N+](=O)[O-])C1 ZINC000158568284 696991806 /nfs/dbraw/zinc/99/18/06/696991806.db2.gz UYTKUUKAULNIJD-ZDUSSCGKSA-N 1 0 301.350 1.742 20 5 DDBDRO COCC[N@H+](C)CCNC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000160425891 697317433 /nfs/dbraw/zinc/31/74/33/697317433.db2.gz HEEPGAQGWSHIOA-UHFFFAOYSA-N 1 0 315.757 1.556 20 5 DDBDRO NC(=O)CC[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000162131138 697326889 /nfs/dbraw/zinc/32/68/89/697326889.db2.gz DCTSJOKLQMTUBB-UHFFFAOYSA-N 1 0 302.128 1.322 20 5 DDBDRO Cc1oncc1C[N@@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000985425783 697508516 /nfs/dbraw/zinc/50/85/16/697508516.db2.gz IYACQRDCGGKAEV-ZIAGYGMSSA-N 1 0 322.365 1.071 20 5 DDBDRO CC[S@](=O)CC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000774182037 697852282 /nfs/dbraw/zinc/85/22/82/697852282.db2.gz HRFRKVYWMXKQFI-DCVWQXJKSA-N 1 0 314.411 1.633 20 5 DDBDRO Cn1nccc1CC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000774361385 697872116 /nfs/dbraw/zinc/87/21/16/697872116.db2.gz XSUHSQDNYJRWCM-KBPBESRZSA-N 1 0 318.381 1.841 20 5 DDBDRO CC[C@H](CO)[NH+]1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776589164 698122919 /nfs/dbraw/zinc/12/29/19/698122919.db2.gz PQXRKPRRYPZSIK-ZBFHGGJFSA-N 1 0 323.393 1.017 20 5 DDBDRO C[C@]1(C[NH3+])CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000261726783 698434962 /nfs/dbraw/zinc/43/49/62/698434962.db2.gz JSLHQLYUUPYUNN-SNVBAGLBSA-N 1 0 305.381 1.016 20 5 DDBDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000262026863 698451202 /nfs/dbraw/zinc/45/12/02/698451202.db2.gz RXSANMJQXBTPFS-GHMZBOCLSA-N 1 0 309.391 1.883 20 5 DDBDRO O=[N+]([O-])c1ccc(Cl)c(CN2CC[C@H](N3CC[NH2+]CC3)C2)c1 ZINC000262082800 698453739 /nfs/dbraw/zinc/45/37/39/698453739.db2.gz FMXMGBKNVGQLNI-AWEZNQCLSA-N 1 0 324.812 1.728 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+](CCO)C2CCOCC2)cc1 ZINC000781983007 698669376 /nfs/dbraw/zinc/66/93/76/698669376.db2.gz QJDLONHGJXORFS-OAHLLOKOSA-N 1 0 310.350 1.102 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000782613681 698750585 /nfs/dbraw/zinc/75/05/85/698750585.db2.gz BLBOUXBJQLIGNH-WBMJQRKESA-N 1 0 319.361 1.546 20 5 DDBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000786988472 699184988 /nfs/dbraw/zinc/18/49/88/699184988.db2.gz LINYOQIZYKIHOA-LLVKDONJSA-N 1 0 306.366 1.781 20 5 DDBDRO CC(C)c1ccc(C[NH2+]C[C@@H]2CC(C(N)=O)=NO2)cc1[N+](=O)[O-] ZINC000788434862 699313728 /nfs/dbraw/zinc/31/37/28/699313728.db2.gz UTFNUTTVNUHDOQ-NSHDSACASA-N 1 0 320.349 1.438 20 5 DDBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NCC[NH+]1CCC1 ZINC000790903502 699602649 /nfs/dbraw/zinc/60/26/49/699602649.db2.gz HMNRGIMYNGKHJD-UHFFFAOYSA-N 1 0 315.732 1.752 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000733883915 699621504 /nfs/dbraw/zinc/62/15/04/699621504.db2.gz IZODFVHZAHIYKV-GFCCVEGCSA-N 1 0 320.393 1.685 20 5 DDBDRO C[C@H]1CCC[N@@H+]1CCNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000742239460 699868860 /nfs/dbraw/zinc/86/88/60/699868860.db2.gz NDZVPLKILFQDNT-JTQLQIEISA-N 1 0 317.349 1.685 20 5 DDBDRO C[C@H]1CCC[N@@H+]1CCNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000742241718 699869393 /nfs/dbraw/zinc/86/93/93/699869393.db2.gz RIGUFKQWKAXFBW-ZDUSSCGKSA-N 1 0 320.393 1.997 20 5 DDBDRO C[C@H](C[S@](C)=O)N(C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000767845774 701140581 /nfs/dbraw/zinc/14/05/81/701140581.db2.gz YKKIIYRLIWBMAT-MZJFNTNISA-N 1 0 300.380 1.327 20 5 DDBDRO C[NH+]1CCN(CCCNc2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC1 ZINC000804331641 701178985 /nfs/dbraw/zinc/17/89/85/701178985.db2.gz RFCLFRLRBRACHN-UHFFFAOYSA-N 1 0 323.353 1.552 20 5 DDBDRO C[C@@H](C[NH+](C)C)Nc1ccc([N+](=O)[O-])cc1C(=O)NC1CC1 ZINC000804855220 701216646 /nfs/dbraw/zinc/21/66/46/701216646.db2.gz OZCHASYZXOPIMD-JTQLQIEISA-N 1 0 306.366 1.849 20 5 DDBDRO Cc1nn(CN2CC[C@H]([NH+]3CCCC3)[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000808191019 701506725 /nfs/dbraw/zinc/50/67/25/701506725.db2.gz JWURBOHZEKYSPB-OCCSQVGLSA-N 1 0 307.398 1.924 20 5 DDBDRO O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839604316 701750828 /nfs/dbraw/zinc/75/08/28/701750828.db2.gz CEVOVUOLUANJJF-MRVWCRGKSA-N 1 0 323.418 1.742 20 5 DDBDRO C[C@@H](NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000839719797 701796470 /nfs/dbraw/zinc/79/64/70/701796470.db2.gz AUPCEZWOSJWTOI-SLBVQIDZSA-N 1 0 317.389 1.678 20 5 DDBDRO C[N@H+](Cc1ccccc1)C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCC1 ZINC000839782339 701825284 /nfs/dbraw/zinc/82/52/84/701825284.db2.gz GIGPMJYQVFILFD-HUUCEWRRSA-N 1 0 317.389 1.823 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@H]2[C@H](O)c2ccccc2)c1 ZINC000879245411 706627337 /nfs/dbraw/zinc/62/73/37/706627337.db2.gz XLWALMHTLCZDBB-JKSUJKDBSA-N 1 0 316.361 1.989 20 5 DDBDRO COCCC1(NC(=O)Cc2ccc([N+](=O)[O-])cc2)CC[NH2+]CC1 ZINC000868039239 701906051 /nfs/dbraw/zinc/90/60/51/701906051.db2.gz QBNWJTRSAZGOMO-UHFFFAOYSA-N 1 0 321.377 1.412 20 5 DDBDRO C[C@]1([NH3+])CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C1 ZINC000868073825 701926808 /nfs/dbraw/zinc/92/68/08/701926808.db2.gz VNKXQHLAHUTXCI-INIZCTEOSA-N 1 0 318.377 1.758 20 5 DDBDRO Cc1cc(N2C[C@H](CO)[C@H](CO)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000866255222 706658547 /nfs/dbraw/zinc/65/85/47/706658547.db2.gz MVVORWRRZWIHSS-TXEJJXNPSA-N 1 0 317.345 1.488 20 5 DDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H]3C[NH2+]C[C@H]32)s1 ZINC000842479847 702726297 /nfs/dbraw/zinc/72/62/97/702726297.db2.gz FUEIQHHCTVZVRB-DTWKUNHWSA-N 1 0 317.392 1.029 20 5 DDBDRO Cc1cc(S(=O)(=O)NC2CC[NH2+]CC2)cc([N+](=O)[O-])c1F ZINC000842682518 702755844 /nfs/dbraw/zinc/75/58/44/702755844.db2.gz ZLGSGHMDWVJTLC-UHFFFAOYSA-N 1 0 317.342 1.073 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CC[C@H](O)C(F)(F)F)c1 ZINC000843073868 702813627 /nfs/dbraw/zinc/81/36/27/702813627.db2.gz VDICNVNRDRRJER-QWRGUYRKSA-N 1 0 308.256 1.531 20 5 DDBDRO COc1cc(Cc2noc([C@]3(C)CC[NH2+]C3)n2)ccc1[N+](=O)[O-] ZINC000843192455 702838274 /nfs/dbraw/zinc/83/82/74/702838274.db2.gz VPASMZVIHUAEMP-OAHLLOKOSA-N 1 0 318.333 1.828 20 5 DDBDRO COc1cc(Cc2noc([C@@H]3C[NH2+]CCO3)n2)ccc1[N+](=O)[O-] ZINC000843192407 702838292 /nfs/dbraw/zinc/83/82/92/702838292.db2.gz UTNWETYRAWBINL-LBPRGKRZSA-N 1 0 320.305 1.238 20 5 DDBDRO O=[N+]([O-])c1ccc(-c2noc(C[C@H]3CSCC[NH2+]3)n2)s1 ZINC000843218894 702844189 /nfs/dbraw/zinc/84/41/89/702844189.db2.gz JGBYCBAASNQBHL-ZETCQYMHSA-N 1 0 312.376 1.954 20 5 DDBDRO O=C(NCC1C[NH2+]C1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000843453076 702885186 /nfs/dbraw/zinc/88/51/86/702885186.db2.gz SWOUZNIAVULJKG-UHFFFAOYSA-N 1 0 304.350 1.144 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000843483852 702890666 /nfs/dbraw/zinc/89/06/66/702890666.db2.gz FQQOMCBNNBNYHZ-MWLCHTKSSA-N 1 0 322.321 1.669 20 5 DDBDRO O=C(CO[C@H]1CCC[NH2+]C1)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000843486467 702891333 /nfs/dbraw/zinc/89/13/33/702891333.db2.gz SSLDMLXXBDLVMF-JTQLQIEISA-N 1 0 319.321 1.178 20 5 DDBDRO C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)[C@H](C)[NH3+] ZINC000843487484 702891718 /nfs/dbraw/zinc/89/17/18/702891718.db2.gz QEPOGUMULCPMGN-WDEREUQCSA-N 1 0 306.366 1.661 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@@]3(CC3(F)F)C2)c1 ZINC000844435308 703031186 /nfs/dbraw/zinc/03/11/86/703031186.db2.gz BWQDBZZCPDJUCQ-VXGBXAGGSA-N 1 0 316.308 1.273 20 5 DDBDRO NC(=O)c1ccc(C[N@@H+]2CC[C@@H]3CSC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000879561540 706718144 /nfs/dbraw/zinc/71/81/44/706718144.db2.gz QFXBGHGIWHEHGK-CHWSQXEVSA-N 1 0 321.402 1.879 20 5 DDBDRO COCC[NH+]1CCC(OC(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000847881402 703480100 /nfs/dbraw/zinc/48/01/00/703480100.db2.gz KPTDECQWFIAGNH-UHFFFAOYSA-N 1 0 308.334 1.862 20 5 DDBDRO COc1ccc(C[NH2+]C[C@@H]2CN(C3CC3)C(=O)O2)cc1[N+](=O)[O-] ZINC000848578257 703564590 /nfs/dbraw/zinc/56/45/90/703564590.db2.gz PNSOGOQJVZEDJF-GFCCVEGCSA-N 1 0 321.333 1.676 20 5 DDBDRO Cc1nn(CCC(=O)N2CC[C@@]3(CCC[NH2+]3)C2)c(C)c1[N+](=O)[O-] ZINC000818611274 703940418 /nfs/dbraw/zinc/94/04/18/703940418.db2.gz HGQRNIPEVWBUKL-HNNXBMFYSA-N 1 0 321.381 1.153 20 5 DDBDRO Cn1cc(CCC[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)cn1 ZINC000819004911 704050045 /nfs/dbraw/zinc/05/00/45/704050045.db2.gz VEJLRYHQZDKEPK-HNNXBMFYSA-N 1 0 304.350 1.584 20 5 DDBDRO Cc1cc(C[C@@H](C)[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000819176517 704081586 /nfs/dbraw/zinc/08/15/86/704081586.db2.gz FCIVOQBBWVMQDM-MEBBXXQBSA-N 1 0 304.350 1.881 20 5 DDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2C[C@@H](O)C23CCC3)c([N+](=O)[O-])c1 ZINC000852583051 704081659 /nfs/dbraw/zinc/08/16/59/704081659.db2.gz PYQRMVNTVZJWOI-CHWSQXEVSA-N 1 0 307.306 1.896 20 5 DDBDRO CNc1ccc(C(=O)N[C@H](C)C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000870986042 704193625 /nfs/dbraw/zinc/19/36/25/704193625.db2.gz CRNBVFLJFQPLCJ-SNVBAGLBSA-N 1 0 306.366 1.754 20 5 DDBDRO C[NH+](C)CCC[C@@H]1CN(c2cc(N)ccc2[N+](=O)[O-])CCO1 ZINC000853990805 704344734 /nfs/dbraw/zinc/34/47/34/704344734.db2.gz VOLUMOUUVHBVIU-CYBMUJFWSA-N 1 0 308.382 1.724 20 5 DDBDRO CC[C@H]([NH3+])CNC(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857764889 704621849 /nfs/dbraw/zinc/62/18/49/704621849.db2.gz DANMPTANBGRHGP-QMMMGPOBSA-N 1 0 303.265 1.420 20 5 DDBDRO Cc1ccc(O[C@@H]2CC[N@H+](CCn3ccc([N+](=O)[O-])n3)C2)nc1 ZINC000858035950 704660449 /nfs/dbraw/zinc/66/04/49/704660449.db2.gz MPTUIGCQDTTXOF-CYBMUJFWSA-N 1 0 317.349 1.648 20 5 DDBDRO O=C(CC[N@H+]1CC=C[C@@H]1CO)Nc1cc([N+](=O)[O-])ccc1F ZINC000880488785 706992040 /nfs/dbraw/zinc/99/20/40/706992040.db2.gz MAXCSNSEVZQFHI-LLVKDONJSA-N 1 0 309.297 1.295 20 5 DDBDRO COc1cc(Cc2noc([C@H]3C[NH2+]CCO3)n2)ccc1[N+](=O)[O-] ZINC000822863793 705063798 /nfs/dbraw/zinc/06/37/98/705063798.db2.gz UTNWETYRAWBINL-GFCCVEGCSA-N 1 0 320.305 1.238 20 5 DDBDRO COC[C@]1(c2nc(-c3ccc([N+](=O)[O-])s3)no2)CC[NH2+]C1 ZINC000823069228 705130105 /nfs/dbraw/zinc/13/01/05/705130105.db2.gz IZYDIUJGWDTBKV-LBPRGKRZSA-N 1 0 310.335 1.584 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000874842457 705197796 /nfs/dbraw/zinc/19/77/96/705197796.db2.gz HSLDRILZNQFZLX-QWHCGFSZSA-N 1 0 321.381 1.185 20 5 DDBDRO Nc1ccc(NC(=O)NC2CC[NH+](C3CC3)CC2)cc1[N+](=O)[O-] ZINC000824008253 705353619 /nfs/dbraw/zinc/35/36/19/705353619.db2.gz JWQMMDAKZGCZCE-UHFFFAOYSA-N 1 0 319.365 1.925 20 5 DDBDRO C[C@H]([NH2+][C@@H]1C[C@@H]2CCCCN2C1=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834916449 707147927 /nfs/dbraw/zinc/14/79/27/707147927.db2.gz YVVOELBNSGXLJH-VHRBIJSZSA-N 1 0 318.377 1.981 20 5 DDBDRO CO[C@@H]1C[N@H+](C)[C@@](C)(COC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000861339616 705432836 /nfs/dbraw/zinc/43/28/36/705432836.db2.gz CDWSWBMNCLSUOB-XHDPSFHLSA-N 1 0 308.334 1.861 20 5 DDBDRO CO[C@H]1C[N@H+](C)[C@@](C)(COC(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000861343130 705434639 /nfs/dbraw/zinc/43/46/39/705434639.db2.gz YYEATNIWWZEMQO-IAQYHMDHSA-N 1 0 323.349 1.443 20 5 DDBDRO C[NH+](C)C[C@H]1CCCN1C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825614970 705703196 /nfs/dbraw/zinc/70/31/96/705703196.db2.gz DPUAOKYVGZOSFW-ZIAGYGMSSA-N 1 0 307.350 1.181 20 5 DDBDRO C[N@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@@]1(CO)CCOC1 ZINC000862427151 705715951 /nfs/dbraw/zinc/71/59/51/705715951.db2.gz UZLWNAXXOJFZCX-CYBMUJFWSA-N 1 0 300.742 1.831 20 5 DDBDRO O=C(/C=C\[C@@H]1CCC[NH2+]C1)NCCNc1ccccc1[N+](=O)[O-] ZINC000876563380 705759626 /nfs/dbraw/zinc/75/96/26/705759626.db2.gz FFTYUZWKAKWBJJ-WSROAFLRSA-N 1 0 318.377 1.679 20 5 DDBDRO O=C(/C=C\[C@@H]1CCC[NH2+]C1)NCCc1ccc([N+](=O)[O-])cc1 ZINC000876613496 705784538 /nfs/dbraw/zinc/78/45/38/705784538.db2.gz PWHIAQWLMDPUBQ-PODYEWJSSA-N 1 0 303.362 1.809 20 5 DDBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876658487 705806269 /nfs/dbraw/zinc/80/62/69/705806269.db2.gz XKCJSPNVUVRWDQ-MFKMUULPSA-N 1 0 311.313 1.037 20 5 DDBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000826646703 705833248 /nfs/dbraw/zinc/83/32/48/705833248.db2.gz DRMGDQRVUIVVHS-WFASDCNBSA-N 1 0 321.377 1.428 20 5 DDBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000827137221 705938062 /nfs/dbraw/zinc/93/80/62/705938062.db2.gz VHAHOYQPYMMQOU-QLFBSQMISA-N 1 0 303.362 1.909 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])c(F)cc3N)CC[C@@H]21 ZINC000827269713 705964828 /nfs/dbraw/zinc/96/48/28/705964828.db2.gz ZCDXABHKJXFDJJ-RNCFNFMXSA-N 1 0 322.340 1.482 20 5 DDBDRO C[C@@H]([NH3+])CN(C)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000877105059 705985197 /nfs/dbraw/zinc/98/51/97/705985197.db2.gz LSHZMOLRUIYMEE-GFCCVEGCSA-N 1 0 320.393 1.617 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000827373160 705988193 /nfs/dbraw/zinc/98/81/93/705988193.db2.gz GWWIERAYORVNBO-UKRRQHHQSA-N 1 0 303.362 1.690 20 5 DDBDRO COc1ccc(C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000827375173 705989276 /nfs/dbraw/zinc/98/92/76/705989276.db2.gz TYKVNXYNKGPWBD-CHWSQXEVSA-N 1 0 319.361 1.770 20 5 DDBDRO CS[C@@H]1CN(C(=O)CCC(C)(C)[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000827426505 705998067 /nfs/dbraw/zinc/99/80/67/705998067.db2.gz SAWUMMKBIUZZTE-WDEREUQCSA-N 1 0 303.428 1.326 20 5 DDBDRO Cc1nn(CCC(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)c(C)c1[N+](=O)[O-] ZINC000877281959 706047489 /nfs/dbraw/zinc/04/74/89/706047489.db2.gz ORSURGGAMQGQOH-CHWSQXEVSA-N 1 0 321.381 1.151 20 5 DDBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877286704 706048997 /nfs/dbraw/zinc/04/89/97/706048997.db2.gz GPYKUZUSLKOIOM-DNWYELSFSA-N 1 0 301.346 1.961 20 5 DDBDRO CN(CC(=O)N[C@]12CCC[C@H]1[NH2+]CC2)c1ccccc1[N+](=O)[O-] ZINC000877395558 706094583 /nfs/dbraw/zinc/09/45/83/706094583.db2.gz ZOSCNHKFENXIQZ-ZBFHGGJFSA-N 1 0 318.377 1.432 20 5 DDBDRO COC(=O)[C@@H]1OCC[C@@H]1C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000877726444 706191420 /nfs/dbraw/zinc/19/14/20/706191420.db2.gz AOPMDVIDDVYDEA-TZMCWYRMSA-N 1 0 308.334 1.571 20 5 DDBDRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000829621911 706368365 /nfs/dbraw/zinc/36/83/65/706368365.db2.gz CMPVOPIENZZLQQ-LBPRGKRZSA-N 1 0 315.414 1.126 20 5 DDBDRO C[C@@H]1[C@@H](NC(=O)CCc2cc(F)ccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000830112627 706456731 /nfs/dbraw/zinc/45/67/31/706456731.db2.gz UIILPSNCEFOTFC-MFKMUULPSA-N 1 0 309.341 1.875 20 5 DDBDRO C[C@@H]([NH2+]C[C@H](O)COC[C@H]1CCCO1)c1ccccc1[N+](=O)[O-] ZINC000880095338 706877109 /nfs/dbraw/zinc/87/71/09/706877109.db2.gz XWIDHAGSALNVLJ-HZSPNIEDSA-N 1 0 324.377 1.802 20 5 DDBDRO C[C@@H]1CC[C@H](CO)[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000880438421 706976434 /nfs/dbraw/zinc/97/64/34/706976434.db2.gz HGMFVOBCJAVOBZ-BXUZGUMPSA-N 1 0 307.350 1.403 20 5 DDBDRO COCC[NH2+]CCc1cn(Cc2ccc(C)c([N+](=O)[O-])c2)nn1 ZINC000881211635 707155003 /nfs/dbraw/zinc/15/50/03/707155003.db2.gz DQGASNCRAVBQKX-UHFFFAOYSA-N 1 0 319.365 1.322 20 5 DDBDRO CN1CCCC[C@H]([N@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000872266962 707356163 /nfs/dbraw/zinc/35/61/63/707356163.db2.gz IUNSXZFYRPVYQN-LSDHHAIUSA-N 1 0 321.377 1.571 20 5 DDBDRO O=[N+]([O-])c1c(F)nccc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC000881813313 707375649 /nfs/dbraw/zinc/37/56/49/707375649.db2.gz AABJIJJFHUPNJG-UHFFFAOYSA-N 1 0 324.356 1.678 20 5 DDBDRO Cc1nn(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)c2ccc([N+](=O)[O-])cc12 ZINC000872785591 707601326 /nfs/dbraw/zinc/60/13/26/707601326.db2.gz FKGMBANDEOVGJW-TXEJJXNPSA-N 1 0 302.334 1.789 20 5 DDBDRO CNC(=O)[C@H](CCSC)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000873127183 707742422 /nfs/dbraw/zinc/74/24/22/707742422.db2.gz OCESUIFAFFFIOD-LBPRGKRZSA-N 1 0 311.407 1.861 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CCOC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C ZINC000873360996 707824457 /nfs/dbraw/zinc/82/44/57/707824457.db2.gz QOXJUIKWSRMXKM-UTUOFQBUSA-N 1 0 324.381 1.904 20 5 DDBDRO CCN1CC[C@@H]1C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000883360982 707984670 /nfs/dbraw/zinc/98/46/70/707984670.db2.gz QGWFEDDNPGTOBR-GFCCVEGCSA-N 1 0 307.350 1.550 20 5 DDBDRO CCc1ccc([C@@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000839461511 708049158 /nfs/dbraw/zinc/04/91/58/708049158.db2.gz ANFDRSZNOGURLM-RBSFLKMASA-N 1 0 305.378 1.633 20 5 DDBDRO CC1(C)CCN(CC[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000898034316 708524211 /nfs/dbraw/zinc/52/42/11/708524211.db2.gz NWRQKALCUYZDIT-UHFFFAOYSA-N 1 0 307.398 1.816 20 5 DDBDRO COc1c(O)ccc(C[NH2+][C@H]2COC[C@H]2C2CC2)c1[N+](=O)[O-] ZINC000898380076 708627882 /nfs/dbraw/zinc/62/78/82/708627882.db2.gz LHBUTHWEBUJVNZ-RYUDHWBXSA-N 1 0 308.334 1.824 20 5 DDBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](C[C@@H]3C[C@]34CCOC4)C2)nc1 ZINC000886067101 708691481 /nfs/dbraw/zinc/69/14/81/708691481.db2.gz HFLYJRLAWYNQBR-ZENOOKHLSA-N 1 0 318.377 1.903 20 5 DDBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2Cc1cccnc1[N+](=O)[O-] ZINC000886081777 708694485 /nfs/dbraw/zinc/69/44/85/708694485.db2.gz XNKANCAKXJRHQN-QLFBSQMISA-N 1 0 320.393 1.673 20 5 DDBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000886084241 708695279 /nfs/dbraw/zinc/69/52/79/708695279.db2.gz SZYGCJDRSKFNKL-LBPRGKRZSA-N 1 0 302.338 1.494 20 5 DDBDRO CCN(CCOc1ccc(OC)cc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000886852342 708864191 /nfs/dbraw/zinc/86/41/91/708864191.db2.gz GZWJIRCDKJUAGV-LBPRGKRZSA-N 1 0 309.366 1.666 20 5 DDBDRO C[C@H]1CN(c2cc[nH+]cc2)CCN1Cc1cn(C)nc1[N+](=O)[O-] ZINC000887136651 708969141 /nfs/dbraw/zinc/96/91/41/708969141.db2.gz YJHAIZDMWATHAZ-LBPRGKRZSA-N 1 0 316.365 1.434 20 5 DDBDRO Cc1ccc(CNC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)cc1[N+](=O)[O-] ZINC000892536657 710453824 /nfs/dbraw/zinc/45/38/24/710453824.db2.gz HTLDVRQCCSGATQ-OCCSQVGLSA-N 1 0 304.350 1.407 20 5 DDBDRO Cc1ccc(CNC(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000892536937 710454106 /nfs/dbraw/zinc/45/41/06/710454106.db2.gz MKDDKYSTSCMYGY-CQSZACIVSA-N 1 0 318.377 1.939 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@]3(C)C[NH+](C)C[C@@]3(C)C2)n1 ZINC000913280523 713190177 /nfs/dbraw/zinc/19/01/77/713190177.db2.gz DUQRVZDKMGLZIT-GJZGRUSLSA-N 1 0 321.381 1.225 20 5 DDBDRO C[C@@]1(Br)C[C@@H]1C[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000893134363 710560035 /nfs/dbraw/zinc/56/00/35/710560035.db2.gz KMNVUJFLVKPYCW-PSASIEDQSA-N 1 0 303.160 1.554 20 5 DDBDRO C[C@@H]1[C@@H](NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000928431521 713192685 /nfs/dbraw/zinc/19/26/85/713192685.db2.gz FBEXYQXVJIIWOX-RISCZKNCSA-N 1 0 319.361 1.767 20 5 DDBDRO C[NH+]1C[C@]2(C)CN(C(=O)Cc3ccc([N+](=O)[O-])cc3)C[C@@]2(C)C1 ZINC000913295348 713193843 /nfs/dbraw/zinc/19/38/43/713193843.db2.gz SLKIBWDMHJBSCS-IAGOWNOFSA-N 1 0 317.389 1.938 20 5 DDBDRO COc1cc([N+](=O)[O-])cnc1N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000893374736 710622334 /nfs/dbraw/zinc/62/23/34/710622334.db2.gz QSMXOVZJRRTJGU-NSHDSACASA-N 1 0 324.381 1.280 20 5 DDBDRO C[C@H]1[C@@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000928456453 713204871 /nfs/dbraw/zinc/20/48/71/713204871.db2.gz RPLYOWIDVQDINW-GWCFXTLKSA-N 1 0 318.377 1.992 20 5 DDBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902473084 710764661 /nfs/dbraw/zinc/76/46/61/710764661.db2.gz QJEQEYMUXBEIBN-WAZAZEMKSA-N 1 0 318.377 1.794 20 5 DDBDRO C[NH+](C)C1(C)CCN(C(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000913404377 713209269 /nfs/dbraw/zinc/20/92/69/713209269.db2.gz DOKVPGDCCACXMS-UHFFFAOYSA-N 1 0 321.377 1.916 20 5 DDBDRO CC[N@@H+]1CC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000893872091 710867472 /nfs/dbraw/zinc/86/74/72/710867472.db2.gz OTEFATSXMQYBFE-LBPRGKRZSA-N 1 0 306.366 1.485 20 5 DDBDRO COc1c(O)ccc(C[NH2+]CCOC(F)(F)F)c1[N+](=O)[O-] ZINC000893957749 710901135 /nfs/dbraw/zinc/90/11/35/710901135.db2.gz SESLLDWMXCDTES-UHFFFAOYSA-N 1 0 310.228 1.935 20 5 DDBDRO C[C@@H]1[C@H]([NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CCN1C ZINC000903300629 711093853 /nfs/dbraw/zinc/09/38/53/711093853.db2.gz JUWNGXCAMKGTFO-SYQHCUMBSA-N 1 0 307.398 1.957 20 5 DDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000894799779 711275623 /nfs/dbraw/zinc/27/56/23/711275623.db2.gz ALQNFBSKHVKVPM-HUUCEWRRSA-N 1 0 307.398 1.898 20 5 DDBDRO COc1c(O)ccc(C[N@H+]2C[C@H](CO)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000894973831 711346515 /nfs/dbraw/zinc/34/65/15/711346515.db2.gz BECKRDUSKGUBBT-WDEREUQCSA-N 1 0 310.350 1.759 20 5 DDBDRO C[C@@H](Nc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1CN(C)CC[N@@H+]1C ZINC000895246835 711464608 /nfs/dbraw/zinc/46/46/08/711464608.db2.gz QNLVKDDNNJISRN-YGRLFVJLSA-N 1 0 318.381 1.517 20 5 DDBDRO C[N@@H+]1CC[C@H]1CNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000895772269 711602550 /nfs/dbraw/zinc/60/25/50/711602550.db2.gz ZSUHNHSOGRWFFC-ZDUSSCGKSA-N 1 0 318.377 1.947 20 5 DDBDRO COc1c(O)ccc(CN(C)[C@@H]2C[NH+]3CCC2CC3)c1[N+](=O)[O-] ZINC000895811803 711613754 /nfs/dbraw/zinc/61/37/54/711613754.db2.gz WFDBMSFZYFQJNY-CYBMUJFWSA-N 1 0 321.377 1.835 20 5 DDBDRO CO[C@H]1C[C@H](C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000905422364 712034191 /nfs/dbraw/zinc/03/41/91/712034191.db2.gz JETXZEFBASPCBB-WHOFXGATSA-N 1 0 310.350 1.349 20 5 DDBDRO CC1(C)C[C@@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CO1 ZINC000905698063 712122830 /nfs/dbraw/zinc/12/28/30/712122830.db2.gz FZEWTGUCNHAWNP-NEPJUHHUSA-N 1 0 310.350 1.492 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000914290942 713371612 /nfs/dbraw/zinc/37/16/12/713371612.db2.gz FIQKQXVWVFYDJR-ZWNOBZJWSA-N 1 0 322.365 1.495 20 5 DDBDRO CC[C@H](CO)[NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000916570485 713458292 /nfs/dbraw/zinc/45/82/92/713458292.db2.gz GJCSJKAZWRHGNL-MRVPVSSYSA-N 1 0 301.730 1.547 20 5 DDBDRO CC(C)(C)OC(=O)N1CCC2(C1)CC[NH+](CC[N+](=O)[O-])CC2 ZINC000930563399 713866995 /nfs/dbraw/zinc/86/69/95/713866995.db2.gz GMHGBIKXPDHAKG-UHFFFAOYSA-N 1 0 313.398 1.986 20 5 DDBDRO Cn1nc2c(c1C[NH2+]CCc1ccccc1[N+](=O)[O-])COCC2 ZINC000921792521 713870594 /nfs/dbraw/zinc/87/05/94/713870594.db2.gz YSVQGDVHGFHLAE-UHFFFAOYSA-N 1 0 316.361 1.733 20 5 DDBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000931046072 713990047 /nfs/dbraw/zinc/99/00/47/713990047.db2.gz SKQUKHNFBJANNQ-DGCLKSJQSA-N 1 0 306.366 1.558 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CCN1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931319157 714065912 /nfs/dbraw/zinc/06/59/12/714065912.db2.gz XEGMCOKIHKETRR-GJZGRUSLSA-N 1 0 307.398 1.373 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H]1C[C@@H]2COC[C@@H]2O1 ZINC000922731246 714130892 /nfs/dbraw/zinc/13/08/92/714130892.db2.gz YVUDGMBFFKGLLC-XPKDYRNWSA-N 1 0 322.361 1.887 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC[C@H](C3OCCO3)C2)c1 ZINC000932004568 714231239 /nfs/dbraw/zinc/23/12/39/714231239.db2.gz ZGPRZMRHWXEXNJ-GXTWGEPZSA-N 1 0 308.334 1.323 20 5 DDBDRO Cc1cc(C(=O)N2[C@@H]3CC[C@H]2CC[N@@H+](C)C3)c(N)c([N+](=O)[O-])c1 ZINC000923279122 714295307 /nfs/dbraw/zinc/29/53/07/714295307.db2.gz FOHFECAQWBNCKI-NWDGAFQWSA-N 1 0 318.377 1.794 20 5 DDBDRO C[NH2+]C[C@H]1CCCN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000923294839 714300586 /nfs/dbraw/zinc/30/05/86/714300586.db2.gz ORGVQSHUSUQYLG-KGLIPLIRSA-N 1 0 309.366 1.018 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000923332686 714318040 /nfs/dbraw/zinc/31/80/40/714318040.db2.gz MCTBJKBPKNDNIE-GDBMZVCRSA-N 1 0 321.377 1.020 20 5 DDBDRO O=[N+]([O-])c1cc(Cl)ccc1CN1CCC[C@H]([NH2+]CCO)C1 ZINC000923407559 714345679 /nfs/dbraw/zinc/34/56/79/714345679.db2.gz NYMABXPKCLEENS-ZDUSSCGKSA-N 1 0 313.785 1.795 20 5 DDBDRO C[C@H]1C[NH2+][C@@H](C)[C@H](C)N1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000923446688 714358566 /nfs/dbraw/zinc/35/85/66/714358566.db2.gz YPFLZLKZKLSWJU-AVGNSLFASA-N 1 0 320.393 1.994 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@H](C3CCOCC3)C2)c1 ZINC000933079257 714513387 /nfs/dbraw/zinc/51/33/87/714513387.db2.gz KTQLPTDYNHVNGW-AWEZNQCLSA-N 1 0 308.382 1.930 20 5 DDBDRO CCCNC(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000934048343 714732042 /nfs/dbraw/zinc/73/20/42/714732042.db2.gz QGRWOHYCAPELOP-UHFFFAOYSA-N 1 0 321.381 1.878 20 5 DDBDRO CO[C@@H]1CC[C@@H]1[N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000934117984 714746067 /nfs/dbraw/zinc/74/60/67/714746067.db2.gz QWTYMKBEIMBFFC-SGMGOOAPSA-N 1 0 310.350 1.444 20 5 DDBDRO C[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[C@H]3c3cccc([N+](=O)[O-])c3)C[C@H]2C1 ZINC000935693905 715118523 /nfs/dbraw/zinc/11/85/23/715118523.db2.gz DRRDRDRBMWDWKK-XRGAULLZSA-N 1 0 315.373 1.718 20 5 DDBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)Cn1c(C)ncc1[N+](=O)[O-] ZINC000936023338 715144677 /nfs/dbraw/zinc/14/46/77/715144677.db2.gz PAQWOFXLXGNHNQ-NSHDSACASA-N 1 0 311.386 1.336 20 5 DDBDRO C[N@@H+]1CCO[C@@H]2CN(c3ccc4ccc([N+](=O)[O-])cc4n3)C[C@H]21 ZINC001164667045 719385395 /nfs/dbraw/zinc/38/53/95/719385395.db2.gz MNXYLSYULDGMCU-HUUCEWRRSA-N 1 0 314.345 1.662 20 5 DDBDRO Cc1nc(N2CC[C@@H]3[C@@H]2CCN3CC[NH+](C)C)ccc1[N+](=O)[O-] ZINC001164923255 721849096 /nfs/dbraw/zinc/84/90/96/721849096.db2.gz UPJXCWCOVAEYTF-CABCVRRESA-N 1 0 319.409 1.513 20 5 DDBDRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1ncc([N+](=O)[O-])cc1F ZINC001164930434 721858827 /nfs/dbraw/zinc/85/88/27/721858827.db2.gz RWYUQDGNAVTDLZ-ZIAGYGMSSA-N 1 0 323.372 1.344 20 5 DDBDRO COC(=O)c1ccnc(N2CCC[C@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000590575490 721892373 /nfs/dbraw/zinc/89/23/73/721892373.db2.gz HXOCVMFSOXWITE-JTQLQIEISA-N 1 0 308.338 1.307 20 5 DDBDRO Cc1cc(CC(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)n[nH]1 ZINC001125541845 734446460 /nfs/dbraw/zinc/44/64/60/734446460.db2.gz FVOLMTMKNJXQIK-UHFFFAOYSA-N 1 0 323.378 1.136 20 5 DDBDRO Cc1ccccc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025775633 736853152 /nfs/dbraw/zinc/85/31/52/736853152.db2.gz KSHPRJWBPFTZJI-LJIZCISZSA-N 1 0 315.373 1.207 20 5 DDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCCCC1 ZINC001029304649 740549966 /nfs/dbraw/zinc/54/99/66/740549966.db2.gz DWNMICCUJVDKDM-QKPAOTATSA-N 1 0 321.421 1.907 20 5 DDBDRO C[NH+](C)[C@@H]1C[C@H](NC(=O)c2ccc(N)c([N+](=O)[O-])c2)C12CCC2 ZINC001168330482 742192773 /nfs/dbraw/zinc/19/27/73/742192773.db2.gz TZZYOBNCNVOKHB-UONOGXRCSA-N 1 0 318.377 1.780 20 5 DDBDRO O=C(NCC[NH2+]Cc1ccc(Cl)c(F)c1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126932430 742778414 /nfs/dbraw/zinc/77/84/14/742778414.db2.gz XNWKUWUPQCGHFL-BXKDBHETSA-N 1 0 315.732 1.350 20 5 DDBDRO Cc1cccc(CCC[NH2+]CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC001126936835 742839253 /nfs/dbraw/zinc/83/92/53/742839253.db2.gz TZQDGMZZWDIWSD-HUUCEWRRSA-N 1 0 305.378 1.299 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(NC2(CNC(=O)CC[NH+](C)C)CC2)c1 ZINC001110325252 743767662 /nfs/dbraw/zinc/76/76/62/743767662.db2.gz BIYCIAQTTKFHTO-UHFFFAOYSA-N 1 0 320.393 1.916 20 5 DDBDRO C[NH+](C)CCC(=O)NCC1(Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC001110325310 743767978 /nfs/dbraw/zinc/76/79/78/743767978.db2.gz HDAZCDJLPCTTAN-UHFFFAOYSA-N 1 0 324.356 1.746 20 5 DDBDRO Cc1ccc(CNS(=O)(=O)CCn2ccnc2)cc1[N+](=O)[O-] ZINC001193819083 746207698 /nfs/dbraw/zinc/20/76/98/746207698.db2.gz IXZHHMSXTZWKNL-UHFFFAOYSA-N 1 0 324.362 1.219 20 5 DDBDRO Nc1nnc([C@H]2CCC[N@H+](Cc3ccccc3[N+](=O)[O-])C2)o1 ZINC001196527862 746887405 /nfs/dbraw/zinc/88/74/05/746887405.db2.gz YBHBQDHLSPDBAM-NSHDSACASA-N 1 0 303.322 1.940 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2[C@H](C)CC[C@@H]2CO)c1 ZINC001197335400 747140951 /nfs/dbraw/zinc/14/09/51/747140951.db2.gz NILAMROTXTUOEP-ZWNOBZJWSA-N 1 0 308.334 1.727 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2cnnn2-c2ccccc2)c1 ZINC001201191971 748431577 /nfs/dbraw/zinc/43/15/77/748431577.db2.gz CONYLDLXQGAXFG-UHFFFAOYSA-N 1 0 313.321 1.162 20 5 DDBDRO COc1ncc([N+](=O)[O-])c(-n2cnc(C)c2CSCC[NH3+])n1 ZINC001168784436 761946292 /nfs/dbraw/zinc/94/62/92/761946292.db2.gz XNNMNSACKVHPJN-UHFFFAOYSA-N 1 0 324.366 1.079 20 5 DDBDRO CC[N@H+](C)CCC(=O)NC/C=C\CNc1ncccc1[N+](=O)[O-] ZINC001107321595 749798791 /nfs/dbraw/zinc/79/87/91/749798791.db2.gz HERIVARRWGQZNC-PLNGDYQASA-N 1 0 321.381 1.416 20 5 DDBDRO COc1nc(C)c(-n2cc3c(n2)CC[C@@H]([NH3+])C3)cc1[N+](=O)[O-] ZINC001168823000 762054923 /nfs/dbraw/zinc/05/49/23/762054923.db2.gz YXEJODHOXOPIPG-SNVBAGLBSA-N 1 0 303.322 1.309 20 5 DDBDRO O=C(CCc1c[nH]cn1)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001128986401 750687867 /nfs/dbraw/zinc/68/78/67/750687867.db2.gz VIBBGSNOKXNDAS-UHFFFAOYSA-N 1 0 317.349 1.157 20 5 DDBDRO O=[N+]([O-])c1ccc(-c2nc(-c3ccc4c(n3)CC[NH2+]C4)no2)cn1 ZINC001212581751 762087674 /nfs/dbraw/zinc/08/76/74/762087674.db2.gz YDBUUOPMTYXHPQ-UHFFFAOYSA-N 1 0 324.300 1.748 20 5 DDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2ccc(-n3cccn3)nc2)C1 ZINC001168984876 762152226 /nfs/dbraw/zinc/15/22/26/762152226.db2.gz BCLXMCWQKYRIJC-GXTWGEPZSA-N 1 0 301.350 1.802 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2ccc(OC3COC3)cc2)C1 ZINC001168971947 762162037 /nfs/dbraw/zinc/16/20/37/762162037.db2.gz MALQJKOYQZKOJP-KGLIPLIRSA-N 1 0 306.362 1.999 20 5 DDBDRO O=C(c1ccccn1)N1CC[C@@H]([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168995775 762169236 /nfs/dbraw/zinc/16/92/36/762169236.db2.gz SVTLTVUOCNTVNS-HZSPNIEDSA-N 1 0 318.377 1.331 20 5 DDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2ccc(-n3ccnn3)cc2)C1 ZINC001169001507 762172916 /nfs/dbraw/zinc/17/29/16/762172916.db2.gz GQHXOVDSSKEYTJ-KBPBESRZSA-N 1 0 301.350 1.802 20 5 DDBDRO NC(=O)c1ccc(OCC[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)cc1 ZINC001168988144 762180264 /nfs/dbraw/zinc/18/02/64/762180264.db2.gz OIKRBFYEXSNUIM-WCQYABFASA-N 1 0 307.350 1.199 20 5 DDBDRO CC(C)(C)c1ccc(-n2cncc2C[C@@H]([NH3+])CO)c([N+](=O)[O-])c1 ZINC001169075610 762223665 /nfs/dbraw/zinc/22/36/65/762223665.db2.gz ZUXJFKLLBSZVSC-GFCCVEGCSA-N 1 0 318.377 1.940 20 5 DDBDRO COc1nc(SC)nc(NCC[C@H]2CCC[NH2+]2)c1[N+](=O)[O-] ZINC001169558488 762506033 /nfs/dbraw/zinc/50/60/33/762506033.db2.gz FZSIDNFBZZMTAV-MRVPVSSYSA-N 1 0 313.383 1.669 20 5 DDBDRO CC[NH+](CC)CC(=O)N[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC001097185100 756957583 /nfs/dbraw/zinc/95/75/83/756957583.db2.gz QRMZERBKXUUZQI-TXEJJXNPSA-N 1 0 321.381 1.391 20 5 DDBDRO C[NH+](C)CCCC(=O)N[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC001097245085 757016510 /nfs/dbraw/zinc/01/65/10/757016510.db2.gz XKXUZUGIURPPCA-TXEJJXNPSA-N 1 0 321.381 1.391 20 5 DDBDRO CCOC(=O)c1c(C[NH3+])ncn1-c1ncc([N+](=O)[O-])c(C)c1C ZINC001155084160 760554263 /nfs/dbraw/zinc/55/42/63/760554263.db2.gz OMQNHDOTBTXSAU-UHFFFAOYSA-N 1 0 319.321 1.428 20 5 DDBDRO CN(CCCNc1ccccc1[N+](=O)[O-])C(=O)CC[NH+](C)C ZINC001109616572 763880022 /nfs/dbraw/zinc/88/00/22/763880022.db2.gz IRLRSOMBCPKJJX-UHFFFAOYSA-N 1 0 308.382 1.807 20 5 DDBDRO C[C@@H](Nc1ncc2cccc([N+](=O)[O-])c2n1)[C@H]1C[NH2+]CCO1 ZINC001170566654 768172670 /nfs/dbraw/zinc/17/26/70/768172670.db2.gz AXNLIHASULEWHD-BXKDBHETSA-N 1 0 303.322 1.327 20 5 DDBDRO COc1nc(SC)nc(N(C)C(C)(C)C[NH3+])c1[N+](=O)[O-] ZINC001170052279 764411864 /nfs/dbraw/zinc/41/18/64/764411864.db2.gz CMSFQGHUXOMSPD-UHFFFAOYSA-N 1 0 301.372 1.289 20 5 DDBDRO CN(c1nccc(Br)c1[N+](=O)[O-])C(C)(C)C[NH3+] ZINC001170059285 764455592 /nfs/dbraw/zinc/45/55/92/764455592.db2.gz FOEXRIHSDHFJSO-UHFFFAOYSA-N 1 0 303.160 1.926 20 5 DDBDRO COc1ccc(C[C@H](C)[NH2+]C[C@H]2COCCO2)c([N+](=O)[O-])c1 ZINC001170309769 766259628 /nfs/dbraw/zinc/25/96/28/766259628.db2.gz SRDSACQNCAPGHW-FZMZJTMJSA-N 1 0 310.350 1.539 20 5 DDBDRO Cc1nnccc1C(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001130864897 767770949 /nfs/dbraw/zinc/77/09/49/767770949.db2.gz KLSNJCABUQLTEU-UHFFFAOYSA-N 1 0 315.333 1.213 20 5 DDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@@H]2C[N@@H+](CCC3CCCC3)C[C@@H]2C1 ZINC001048812295 769930155 /nfs/dbraw/zinc/93/01/55/769930155.db2.gz FKRGWHLIEFJSHP-QKPAOTATSA-N 1 0 321.421 1.622 20 5 DDBDRO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1cnc(Cl)cc1[N+](=O)[O-] ZINC001170867886 771785652 /nfs/dbraw/zinc/78/56/52/771785652.db2.gz MCMJLFRRQFNMQH-HTQZYQBOSA-N 1 0 314.729 1.206 20 5 DDBDRO CCOC(=O)COc1ncc(NCC[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC001170891443 771894845 /nfs/dbraw/zinc/89/48/45/771894845.db2.gz XVIONZAPIOILIS-SECBINFHSA-N 1 0 312.326 1.081 20 5 DDBDRO C[NH+](C)CCC(=O)N1CCN(c2cccc(F)c2[N+](=O)[O-])CC1 ZINC001093193750 774494350 /nfs/dbraw/zinc/49/43/50/774494350.db2.gz XARZFUFRUDDJCL-UHFFFAOYSA-N 1 0 324.356 1.334 20 5 DDBDRO O=C1CC[N@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCN1 ZINC001172908781 776917913 /nfs/dbraw/zinc/91/79/13/776917913.db2.gz ODVSUGWTODDAJM-CQSZACIVSA-N 1 0 303.362 1.664 20 5 DDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCC(=O)N1CCOCC1 ZINC001173211164 777067490 /nfs/dbraw/zinc/06/74/90/777067490.db2.gz QISGDWLULNHNIA-ZDUSSCGKSA-N 1 0 321.377 1.364 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@H](c2cn(C)nn2)C1 ZINC001176886049 778294397 /nfs/dbraw/zinc/29/43/97/778294397.db2.gz FHGFJXPNTVLDOL-LBPRGKRZSA-N 1 0 319.369 1.108 20 5 DDBDRO CC[N@H+](C)CCC(=O)NCC1(Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC001110227824 779267377 /nfs/dbraw/zinc/26/73/77/779267377.db2.gz NKDNMWNNHSBEJG-UHFFFAOYSA-N 1 0 320.393 1.997 20 5 DDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)NOC1CC[NH+](C)CC1 ZINC001118270896 781080043 /nfs/dbraw/zinc/08/00/43/781080043.db2.gz DPLMWQAKVKEUIG-UHFFFAOYSA-N 1 0 308.338 1.392 20 5 DDBDRO CN(CC1CC[NH+](C)CC1)c1ccc2nonc2c1[N+](=O)[O-] ZINC001120020667 781726962 /nfs/dbraw/zinc/72/69/62/781726962.db2.gz OPXCBIFWNVAGOA-UHFFFAOYSA-N 1 0 305.338 1.909 20 5 DDBDRO CC(C)(O)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001266589024 836504098 /nfs/dbraw/zinc/50/40/98/836504098.db2.gz JLNMYRAGPJKJFR-JOCQHMNTSA-N 1 0 321.377 1.493 20 5 DDBDRO CN(CC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)c1ccccn1 ZINC001266627198 836558521 /nfs/dbraw/zinc/55/85/21/836558521.db2.gz OBQMUQZDCGWIDQ-UHFFFAOYSA-N 1 0 320.374 1.913 20 5 DDBDRO O=C(NC/C=C\C[NH2+]Cc1cccc([N+](=O)[O-])c1)c1cn[nH]c1 ZINC001268514471 840349144 /nfs/dbraw/zinc/34/91/44/840349144.db2.gz MFCLHCFYQZQCRQ-UPHRSURJSA-N 1 0 315.333 1.394 20 5 DDBDRO [NH3+][C@H]1COC[C@H]1Nc1cc2ncnc(Cl)c2cc1[N+](=O)[O-] ZINC001155346126 861980097 /nfs/dbraw/zinc/98/00/97/861980097.db2.gz UWSPXYLNWRINCP-OIBJUYFYSA-N 1 0 309.713 1.329 20 5 DDBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001150119813 862098829 /nfs/dbraw/zinc/09/88/29/862098829.db2.gz LJLLJXDRMCAQIV-OTYXRUKQSA-N 1 0 304.350 1.390 20 5 DDBDRO COc1cc(C)nc(NCC[C@@H]2CCOC23C[NH2+]C3)c1[N+](=O)[O-] ZINC001155478319 862136320 /nfs/dbraw/zinc/13/63/20/862136320.db2.gz SEHFSWAYCPLPJG-LLVKDONJSA-N 1 0 322.365 1.487 20 5 DDBDRO CCOc1nc(NCC[C@H]2CCOC23C[NH2+]C3)ccc1[N+](=O)[O-] ZINC001155479169 862138313 /nfs/dbraw/zinc/13/83/13/862138313.db2.gz SCKVAZUAWUYLQA-NSHDSACASA-N 1 0 322.365 1.569 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1NCCOCCOCC[NH3+] ZINC001170507780 850622422 /nfs/dbraw/zinc/62/24/22/850622422.db2.gz LLKPPOYPJDILJX-UHFFFAOYSA-N 1 0 311.382 1.924 20 5 DDBDRO CCOc1nc(NCc2noc3c2C[NH2+]CC3)ccc1[N+](=O)[O-] ZINC001155497043 862161254 /nfs/dbraw/zinc/16/12/54/862161254.db2.gz CABOKCJYEPWJLU-UHFFFAOYSA-N 1 0 319.321 1.634 20 5 DDBDRO CC[N@@H+]1CCC[C@@H](CNc2c(C(N)=O)cccc2[N+](=O)[O-])C1 ZINC001327617514 862320546 /nfs/dbraw/zinc/32/05/46/862320546.db2.gz SUTBYDWDJDYHGD-NSHDSACASA-N 1 0 306.366 1.838 20 5 DDBDRO CN1CCC(CNc2ncc([N+](=O)[O-])cc2F)([NH+](C)C)CC1 ZINC001156182349 862787714 /nfs/dbraw/zinc/78/77/14/862787714.db2.gz QLNDROCMVCPSIG-UHFFFAOYSA-N 1 0 311.361 1.567 20 5 DDBDRO Cc1cc(C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)c(N)c([N+](=O)[O-])c1 ZINC001328506148 863014292 /nfs/dbraw/zinc/01/42/92/863014292.db2.gz QHWLYEALXFROKJ-BONVTDFDSA-N 1 0 304.350 1.439 20 5 DDBDRO Cc1c(CC(=O)NCC[C@H]2CSCC[NH2+]2)cccc1[N+](=O)[O-] ZINC001122083311 858680448 /nfs/dbraw/zinc/68/04/48/858680448.db2.gz QIEHBSMNIKUACP-ZDUSSCGKSA-N 1 0 323.418 1.657 20 5 DDBDRO CCN(C(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)[C@@H]1CC[NH2+]C1 ZINC001122215484 858716683 /nfs/dbraw/zinc/71/66/83/858716683.db2.gz XRIFBTROCVPBQT-RBSFLKMASA-N 1 0 303.362 1.909 20 5 DDBDRO COCC[C@H]1C[NH2+]CCN1C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC001122311412 858747878 /nfs/dbraw/zinc/74/78/78/858747878.db2.gz AMFOGAVTODIWLG-QZDDGCDVSA-N 1 0 319.361 1.445 20 5 DDBDRO O=C(NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1cscn1 ZINC001124737145 859798259 /nfs/dbraw/zinc/79/82/59/859798259.db2.gz KXAQSZPYPMRUJO-UHFFFAOYSA-N 1 0 306.347 1.571 20 5 DDBDRO COC[C@H](C)OC[C@H](C)OC[C@@H](C)OCCC[N+](C)(C)C ZINC001224623024 881475818 /nfs/dbraw/zinc/47/58/18/881475818.db2.gz JYWWJPLIKUTYGO-XHSDSOJGSA-N 1 0 306.467 1.944 20 5 DDBDRO N=c1cc(C[NH3+])ccn1-c1ccc(-c2ccc([N+](=O)[O-])cc2)nn1 ZINC001156853305 863396599 /nfs/dbraw/zinc/39/65/99/863396599.db2.gz NWZOKXOLLSLLJE-UHFFFAOYSA-N 1 0 322.328 1.781 20 5 DDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC001329299700 863585560 /nfs/dbraw/zinc/58/55/60/863585560.db2.gz MZFBVFSLMTZHSW-WDEREUQCSA-N 1 0 306.366 1.754 20 5 DDBDRO COC(=O)c1ccnc(N2C[C@H]3[C@H](C2)CCC[N@@H+]3C)c1[N+](=O)[O-] ZINC001157265911 863694955 /nfs/dbraw/zinc/69/49/55/863694955.db2.gz LIBVLZJHMNBHNH-JQWIXIFHSA-N 1 0 320.349 1.307 20 5 DDBDRO NC(=[NH2+])c1nccn1-c1cc([N+](=O)[O-])cc2c(Cl)ncnc21 ZINC001157629645 863992183 /nfs/dbraw/zinc/99/21/83/863992183.db2.gz WYSILTXZUDUSKV-UHFFFAOYSA-N 1 0 317.696 1.661 20 5 DDBDRO Cc1ccc(F)c(C[NH2+]CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC001157767181 864117934 /nfs/dbraw/zinc/11/79/34/864117934.db2.gz IPYVNMQFGQBBBB-TZMCWYRMSA-N 1 0 309.341 1.395 20 5 DDBDRO COc1cc(C)nc(N(CC[NH3+])c2cccnc2)c1[N+](=O)[O-] ZINC001158001049 864347498 /nfs/dbraw/zinc/34/74/98/864347498.db2.gz NXUCPNRTYSMSRC-UHFFFAOYSA-N 1 0 303.322 1.799 20 5 DDBDRO Cc1ccc([C@@H](C)Nc2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)nc1 ZINC001158020080 864361702 /nfs/dbraw/zinc/36/17/02/864361702.db2.gz AAEMVFVETLABKQ-SNVBAGLBSA-N 1 0 314.349 1.948 20 5 DDBDRO CCC[N@@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C1 ZINC001331284353 864987550 /nfs/dbraw/zinc/98/75/50/864987550.db2.gz ZOPVMUBHPUBLEY-LBPRGKRZSA-N 1 0 320.393 1.875 20 5 DDBDRO O=[N+]([O-])c1cnc(Cl)c(C(F)(F)NC[C@@H]2COCC[NH2+]2)c1 ZINC001159043951 865070358 /nfs/dbraw/zinc/07/03/58/865070358.db2.gz ZDWNBQLAXYLDTL-SSDOTTSWSA-N 1 0 322.699 1.271 20 5 DDBDRO C[C@H](Nc1cnc2ccc([N+](=O)[O-])cc2n1)[C@H]1C[NH2+]CCO1 ZINC001159497453 865350510 /nfs/dbraw/zinc/35/05/10/865350510.db2.gz OAUOGJYFEDVDLK-TVQRCGJNSA-N 1 0 303.322 1.327 20 5 DDBDRO COc1ccc(CNC(=O)[C@@H]2CCCC[C@H]2[NH3+])cc1[N+](=O)[O-] ZINC001331913540 865429051 /nfs/dbraw/zinc/42/90/51/865429051.db2.gz WYFNFDVJKDSSTH-VXGBXAGGSA-N 1 0 307.350 1.737 20 5 DDBDRO CC(C)=CC[N@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001160090933 865675434 /nfs/dbraw/zinc/67/54/34/865675434.db2.gz VSUCEBCYDLUNIK-HUUCEWRRSA-N 1 0 307.394 1.756 20 5 DDBDRO O=[N+]([O-])c1cnc(NCCOC2CCCCC2)nc1C1C[NH2+]C1 ZINC001160281416 865761772 /nfs/dbraw/zinc/76/17/72/865761772.db2.gz KMQROCZJIFHNJS-UHFFFAOYSA-N 1 0 321.381 1.833 20 5 DDBDRO COc1nc(N(C2COC2)[C@H]2CC[C@H]([NH3+])CC2)ccc1[N+](=O)[O-] ZINC001161277026 866486331 /nfs/dbraw/zinc/48/63/31/866486331.db2.gz NHKGLZJPCRIDCN-XYPYZODXSA-N 1 0 322.365 1.474 20 5 DDBDRO [NH3+]C1CCN(CCNc2ncc([N+](=O)[O-])c3ccccc32)CC1 ZINC001161867819 867045227 /nfs/dbraw/zinc/04/52/27/867045227.db2.gz PWVJCWWUZCLOTJ-UHFFFAOYSA-N 1 0 315.377 1.978 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])c(-n2cnc(C[NH3+])c2)cc1OC ZINC001162304517 867429801 /nfs/dbraw/zinc/42/98/01/867429801.db2.gz VAISUVSCWSZWKM-UHFFFAOYSA-N 1 0 306.278 1.034 20 5 DDBDRO O=C(NCC[NH+]1CC=CC1)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001334609220 867707540 /nfs/dbraw/zinc/70/75/40/867707540.db2.gz XQPKVRWJKOIXNC-LSDHHAIUSA-N 1 0 301.346 1.686 20 5 DDBDRO CCOC1(OCC)CC[NH2+]C[C@H]1Nc1ccc([N+](=O)[O-])cn1 ZINC001162727304 867773461 /nfs/dbraw/zinc/77/34/61/867773461.db2.gz YSBJNJKXVJEBRP-GFCCVEGCSA-N 1 0 310.354 1.533 20 5 DDBDRO O=[N+]([O-])c1nccnc1NC[C@H]1CCC2(CC[NH2+]CC2)CO1 ZINC001162958889 867949828 /nfs/dbraw/zinc/94/98/28/867949828.db2.gz UPMCTBAVDDTDNQ-LLVKDONJSA-N 1 0 307.354 1.346 20 5 DDBDRO O=[N+]([O-])c1cnc(NC[C@H]2CCC3(CC[NH2+]CC3)CO2)cn1 ZINC001162964247 867953922 /nfs/dbraw/zinc/95/39/22/867953922.db2.gz XXYYJZKRWAGNIO-LLVKDONJSA-N 1 0 307.354 1.346 20 5 DDBDRO O=[N+]([O-])c1cccc2c1ccnc2N[C@@H]1COCCC12C[NH2+]C2 ZINC001163065635 868051131 /nfs/dbraw/zinc/05/11/31/868051131.db2.gz OHNDYUXWOHDVQK-CQSZACIVSA-N 1 0 314.345 1.933 20 5 DDBDRO O=[N+]([O-])c1ccnc(Cl)c1NCC[C@H]1CCOC12C[NH2+]C2 ZINC001163086391 868073698 /nfs/dbraw/zinc/07/36/98/868073698.db2.gz AOQDIOAAQCQSAE-VIFPVBQESA-N 1 0 312.757 1.824 20 5 DDBDRO CC(C)N(c1cc([N+](=O)[O-])cc(Cl)[n+]1[O-])C(C)(C)C[NH3+] ZINC001163188248 868197585 /nfs/dbraw/zinc/19/75/85/868197585.db2.gz QIBDFTSCUNEFQH-UHFFFAOYSA-N 1 0 302.762 1.834 20 5 DDBDRO C[C@H](NC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc([N+](=O)[O-])cc1 ZINC001335351722 868242655 /nfs/dbraw/zinc/24/26/55/868242655.db2.gz HPVSKYYELFMFRS-WCFLWFBJSA-N 1 0 304.350 1.802 20 5 DDBDRO O=C1C[C@H]2[NH2+]CC[C@@]2(Nc2ccc3cc([N+](=O)[O-])ccc3n2)N1 ZINC001163239285 868246611 /nfs/dbraw/zinc/24/66/11/868246611.db2.gz QCTBYJKJMXDMAD-IUODEOHRSA-N 1 0 313.317 1.133 20 5 DDBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCCCC[NH2+]1 ZINC001335410084 868278844 /nfs/dbraw/zinc/27/88/44/868278844.db2.gz ZWGVMGBNJGRSOR-CQSZACIVSA-N 1 0 320.393 1.969 20 5 DDBDRO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC001322681419 868322653 /nfs/dbraw/zinc/32/26/53/868322653.db2.gz WCSHCHZBWHJZOG-GJZGRUSLSA-N 1 0 321.377 1.963 20 5 DDBDRO CNc1cc([N+](=O)[O-])cnc1N[C@H]1CCCC[C@@]12C[NH2+]CCO2 ZINC001163645437 868588224 /nfs/dbraw/zinc/58/82/24/868588224.db2.gz VRVNXILHXLAYIW-DZGCQCFKSA-N 1 0 321.381 1.745 20 5 DDBDRO O=[N+]([O-])c1cnc(N2CC[NH2+][C@@H](c3ccc(O)cc3)C2)c(F)c1 ZINC001164036189 868905841 /nfs/dbraw/zinc/90/58/41/868905841.db2.gz BKLDZXKMHALVBX-CQSZACIVSA-N 1 0 318.308 1.985 20 5 DDBDRO CC1=CCN(CC[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001336704353 869102765 /nfs/dbraw/zinc/10/27/65/869102765.db2.gz RBIGVPVQVWIZLV-INIZCTEOSA-N 1 0 305.378 1.870 20 5 DDBDRO C[C@@H](NC(=O)N[C@@H]1C[NH2+]CC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC001336740681 869118511 /nfs/dbraw/zinc/11/85/11/869118511.db2.gz YCJZCUJQIKDWNZ-ZWNOBZJWSA-N 1 0 306.366 1.953 20 5 DDBDRO CN(C)/C=C/c1cc(-n2cnc3c2C[NH2+]CC3)ncc1[N+](=O)[O-] ZINC001164316362 869120266 /nfs/dbraw/zinc/12/02/66/869120266.db2.gz KFCGHLZIAVPDAU-GQCTYLIASA-N 1 0 314.349 1.354 20 5 DDBDRO CC(C)[N@@H+]1CC[C@@H](C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001336762925 869129059 /nfs/dbraw/zinc/12/90/59/869129059.db2.gz JQZIEUZWERRKAH-XJKSGUPXSA-N 1 0 307.394 1.948 20 5 DDBDRO O=C1NCCC12CC[NH+](Cc1ccc([N+](=O)[O-])c(F)c1)CC2 ZINC001336841232 869176978 /nfs/dbraw/zinc/17/69/78/869176978.db2.gz FUIPFHUWRSVOLD-UHFFFAOYSA-N 1 0 307.325 1.836 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H]1[C@@H]2CCC[NH2+][C@H]2C1(C)C ZINC001336996107 869250367 /nfs/dbraw/zinc/25/03/67/869250367.db2.gz XTCIFBSXCILYPA-RAIGVLPGSA-N 1 0 306.366 1.440 20 5 DDBDRO CCN(CC)C(=O)[C@@H](C)Nc1cc2c(cc1[N+](=O)[O-])C[NH2+]C2 ZINC001164622304 869331812 /nfs/dbraw/zinc/33/18/12/869331812.db2.gz FRWDOEVLZCUBRM-SNVBAGLBSA-N 1 0 306.366 1.867 20 5 DDBDRO COc1nc(C)c([N+](=O)[O-])c(N2CC[NH+](C(C)(C)C)CC2)n1 ZINC001165091266 869370537 /nfs/dbraw/zinc/37/05/37/869370537.db2.gz NZSOOQWBNBTFRO-UHFFFAOYSA-N 1 0 309.370 1.622 20 5 DDBDRO [NH3+]C[C@@H]1CN(C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)CCO1 ZINC001165119535 869387434 /nfs/dbraw/zinc/38/74/34/869387434.db2.gz FYJFOMAXBOZVMM-SSDOTTSWSA-N 1 0 322.699 1.352 20 5 DDBDRO [NH3+]CC1(F)CCN(c2cc([N+](=O)[O-])cc(Cl)[n+]2[O-])CC1 ZINC001165262421 869476443 /nfs/dbraw/zinc/47/64/43/869476443.db2.gz DRDZTMPMFJJOAP-UHFFFAOYSA-N 1 0 304.709 1.149 20 5 DDBDRO COc1cc2ncnc(N3CCC[C@@H]4[NH2+]C[C@H]43)c2cc1[N+](=O)[O-] ZINC001165389244 869561680 /nfs/dbraw/zinc/56/16/80/869561680.db2.gz GCLLOBUKZFPRMC-GXFFZTMASA-N 1 0 315.333 1.487 20 5 DDBDRO Cc1c(C)c(-n2ccc([C@H]3CCC[NH2+]3)nc2=N)ncc1[N+](=O)[O-] ZINC001166701871 870170754 /nfs/dbraw/zinc/17/07/54/870170754.db2.gz UVBAOIJVLOJWKQ-LLVKDONJSA-N 1 0 314.349 1.696 20 5 DDBDRO COC(=O)[C@@H]1C[C@@H]([NH3+])CN1c1nccc2cc([N+](=O)[O-])ccc21 ZINC001166968459 870434390 /nfs/dbraw/zinc/43/43/90/870434390.db2.gz ODDNOOIHONDHDD-MFKMUULPSA-N 1 0 316.317 1.222 20 5 DDBDRO CCn1c([C@@H](C)[N+](=O)[O-])nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001340123900 870906766 /nfs/dbraw/zinc/90/67/66/870906766.db2.gz LWHUDCHBBCBNFV-CHWSQXEVSA-N 1 0 322.413 1.700 20 5 DDBDRO O=C([C@H]1[C@@H]2CC[NH2+]C[C@@H]21)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001340178640 870941234 /nfs/dbraw/zinc/94/12/34/870941234.db2.gz DUYIZURSEKNRAS-YCPHGPKFSA-N 1 0 315.373 1.941 20 5 DDBDRO [NH3+][C@@H]1CC[C@H](CNC(=O)CCc2cc(F)ccc2[N+](=O)[O-])C1 ZINC001341231820 871569074 /nfs/dbraw/zinc/56/90/74/871569074.db2.gz DVLZJFCMWAAFAC-GXFFZTMASA-N 1 0 309.341 1.910 20 5 DDBDRO O=C(N1CCc2ccc([N+](=O)[O-])cc2C1)C12CCC(CC1)[NH2+]2 ZINC001341545529 871705292 /nfs/dbraw/zinc/70/52/92/871705292.db2.gz RBGZNCIAHXJWOH-UHFFFAOYSA-N 1 0 301.346 1.764 20 5 DDBDRO O=C(NCC1C[NH+](CCCCC(F)(F)F)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001318119105 871759877 /nfs/dbraw/zinc/75/98/77/871759877.db2.gz NFHJFPUVHANYRU-GHMZBOCLSA-N 1 0 323.315 1.432 20 5 DDBDRO COC[C@]1(C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)CCCC[NH2+]1 ZINC001341741970 871798558 /nfs/dbraw/zinc/79/85/58/871798558.db2.gz WICZNGDCHHJNMJ-LRDDRELGSA-N 1 0 321.377 1.931 20 5 DDBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2[C@H]3C[NH2+]C[C@H]32)c1 ZINC001342127547 872020135 /nfs/dbraw/zinc/02/01/35/872020135.db2.gz AMXHNRBWJYTHAI-PJXYFTJBSA-N 1 0 307.375 1.607 20 5 DDBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001342187314 872057550 /nfs/dbraw/zinc/05/75/50/872057550.db2.gz LXSFZGBYVKZRKM-QJPTWQEYSA-N 1 0 305.334 1.373 20 5 DDBDRO COc1c(O)ccc(CN2CCC[C@](C)(CO)C2)c1[N+](=O)[O-] ZINC001342848863 872411319 /nfs/dbraw/zinc/41/13/19/872411319.db2.gz ZAXKVEQDPTVJQU-HNNXBMFYSA-N 1 0 310.350 1.903 20 5 DDBDRO COCC[C@H]1C[NH2+]CCN1C(=O)c1cccc([N+](=O)[O-])c1C ZINC001342992065 872461575 /nfs/dbraw/zinc/46/15/75/872461575.db2.gz FVKKVTUWEDGQQV-LBPRGKRZSA-N 1 0 307.350 1.354 20 5 DDBDRO C[C@H](C(=O)N1CC[C@](O)(C[NH+](C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC001347175677 874043459 /nfs/dbraw/zinc/04/34/59/874043459.db2.gz SRVGBWWOPLWLET-LRDDRELGSA-N 1 0 321.377 1.223 20 5 DDBDRO CC[NH+]1CCN(C2CN(C(=O)c3ccc([N+](=O)[O-])s3)C2)CC1 ZINC001349487258 875202625 /nfs/dbraw/zinc/20/26/25/875202625.db2.gz ZUAWLWCMBCOTIN-UHFFFAOYSA-N 1 0 324.406 1.118 20 5 DDBDRO [NH3+]CCCN(CC(F)(F)F)C(=O)c1cccc([N+](=O)[O-])c1 ZINC001349839403 875402879 /nfs/dbraw/zinc/40/28/79/875402879.db2.gz OJRVWOHIRZXBQO-UHFFFAOYSA-N 1 0 305.256 1.948 20 5 DDBDRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC001354396897 877948945 /nfs/dbraw/zinc/94/89/45/877948945.db2.gz KVGQEDYWSAJNTA-QWHCGFSZSA-N 1 0 309.341 1.923 20 5 DDBDRO CCn1c([C@@H](C)[N+](=O)[O-])nnc1N1CC[NH+](C(C)(C)CC)CC1 ZINC001356353197 879010380 /nfs/dbraw/zinc/01/03/80/879010380.db2.gz YLMMCRZHHMKNTM-GFCCVEGCSA-N 1 0 324.429 1.946 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccnc(Cl)c1Cl ZINC001228576808 883559202 /nfs/dbraw/zinc/55/92/02/883559202.db2.gz YRXFGKDOHFMVLZ-MRVPVSSYSA-N 1 0 308.185 1.751 20 5 DDBDRO COCCOc1ccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)cc1 ZINC001229580094 884058325 /nfs/dbraw/zinc/05/83/25/884058325.db2.gz DXNNMWXFXDJGMV-CYBMUJFWSA-N 1 0 312.386 1.074 20 5 DDBDRO CC[N@H+](CCO)CCNC(=O)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC001234581680 888118354 /nfs/dbraw/zinc/11/83/54/888118354.db2.gz IQALNDMNAPUFGZ-UHFFFAOYSA-N 1 0 324.381 1.017 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001246617501 892740511 /nfs/dbraw/zinc/74/05/11/892740511.db2.gz GPWFRHSATAPSQD-KMFMINBZSA-N 1 0 318.421 1.552 20 5 DDBDRO O=C(CCNc1ccccc1[N+](=O)[O-])NCC[NH+]1CC=CC1 ZINC001252527491 895243223 /nfs/dbraw/zinc/24/32/23/895243223.db2.gz YAHQQQXPLAUTGE-UHFFFAOYSA-N 1 0 304.350 1.385 20 5 DDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])NC(=[NH2+])N1CCN(C)CC1 ZINC001254541257 896496799 /nfs/dbraw/zinc/49/67/99/896496799.db2.gz ZSRGBVOTPSRVKO-LBPRGKRZSA-N 1 0 305.382 1.298 20 5 DDBDRO Cc1cc(N(C(N)=[NH2+])[C@@H](C)Cc2ccccc2[N+](=O)[O-])n[nH]1 ZINC001254550852 896499252 /nfs/dbraw/zinc/49/92/52/896499252.db2.gz SHNHGRZTBUZGMN-JTQLQIEISA-N 1 0 302.338 1.957 20 5 DDBDRO C[NH2+][C@H](C)CCNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC001261461217 899582550 /nfs/dbraw/zinc/58/25/50/899582550.db2.gz DOHGHDOJUWIUJE-LLVKDONJSA-N 1 0 317.349 1.508 20 5 DDBDRO O=C(N1Cc2ccc([N+](=O)[O-])cc2C1)[C@]12CCC[C@H]1[NH2+]CC2 ZINC001262008024 899895300 /nfs/dbraw/zinc/89/53/00/899895300.db2.gz ZFHLCRFTTDAJAP-ZBFHGGJFSA-N 1 0 301.346 1.969 20 5 DDBDRO COc1cc(C(=O)N2CC[NH2+]CCC23CCC3)ccc1[N+](=O)[O-] ZINC001262042795 899910824 /nfs/dbraw/zinc/91/08/24/899910824.db2.gz XQKWHHVVJNMXEE-UHFFFAOYSA-N 1 0 319.361 1.962 20 5 DDBDRO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)[C@@H](O)c3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC001263996116 900865060 /nfs/dbraw/zinc/86/50/60/900865060.db2.gz STGZXTBJEIJNCO-ATGSNQNLSA-N 1 0 319.361 1.085 20 5 DDBDRO CCC1(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3c([N+](=O)[O-])ncn3C)C2)CC1 ZINC001265556084 902130460 /nfs/dbraw/zinc/13/04/60/902130460.db2.gz RKELRPYSBYVTTC-PHIMTYICSA-N 1 0 321.381 1.255 20 5 DDBDRO [NH3+]CC[C@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)C(F)F ZINC000449612400 230622794 /nfs/dbraw/zinc/62/27/94/230622794.db2.gz LZIHWIYWFIGTMD-JTQLQIEISA-N 1 0 303.265 1.072 20 5 DDBDRO COc1ccc(OCC[N@@H+]2CC[C@@H](C)[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000248969477 282122294 /nfs/dbraw/zinc/12/22/94/282122294.db2.gz SKIBTXCYIIUYPB-RISCZKNCSA-N 1 0 310.350 1.685 20 5 DDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000451624713 231141500 /nfs/dbraw/zinc/14/15/00/231141500.db2.gz BADDLCDEHNSWDT-TYNCELHUSA-N 1 0 318.377 1.558 20 5 DDBDRO COC[C@]1(CO)CC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000451924397 231233894 /nfs/dbraw/zinc/23/38/94/231233894.db2.gz DOHMEUJJUVRXDI-OAHLLOKOSA-N 1 0 310.350 1.434 20 5 DDBDRO CC[C@@H](CNS(C)(=O)=O)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000295025750 529493735 /nfs/dbraw/zinc/49/37/35/529493735.db2.gz LDQAVTAVURHXNH-LBPRGKRZSA-N 1 0 315.395 1.321 20 5 DDBDRO [NH3+]C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000087384142 185223293 /nfs/dbraw/zinc/22/32/93/185223293.db2.gz XRZDRJHRVIDZDN-JTQLQIEISA-N 1 0 319.770 1.264 20 5 DDBDRO O=C1CC[C@@H]([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CN1 ZINC000358130634 299084180 /nfs/dbraw/zinc/08/41/80/299084180.db2.gz MQXVOHSWIREYMH-KGLIPLIRSA-N 1 0 303.362 1.784 20 5 DDBDRO COc1ccc(CN2CC[N@H+](CCO)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000614920491 362077932 /nfs/dbraw/zinc/07/79/32/362077932.db2.gz IUTRTELFNOJSOW-UHFFFAOYSA-N 1 0 323.393 1.492 20 5 DDBDRO COCCC[N@H+](C)CCNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000255414109 282255540 /nfs/dbraw/zinc/25/55/40/282255540.db2.gz DSVZRLHBDONWON-TWGQIWQCSA-N 1 0 321.377 1.693 20 5 DDBDRO C[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(O)c1 ZINC000181580279 199321798 /nfs/dbraw/zinc/32/17/98/199321798.db2.gz BIXWRIRFRARFLP-IINYFYTJSA-N 1 0 306.322 1.209 20 5 DDBDRO C[N@@H+]1CC[C@]2(CCN(C(=O)c3ccc([N+](=O)[O-])cc3F)C2)C1 ZINC000292352946 529811704 /nfs/dbraw/zinc/81/17/04/529811704.db2.gz VOFNPVNQVFLDJQ-HNNXBMFYSA-N 1 0 307.325 1.902 20 5 DDBDRO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H](O)COCC(F)(F)F ZINC000292578919 530004508 /nfs/dbraw/zinc/00/45/08/530004508.db2.gz ZINUWOFZKQWCRU-LLVKDONJSA-N 1 0 322.283 1.966 20 5 DDBDRO Cc1nn(CCC(=O)NC(C)(C)C[NH+](C)C)c(C)c1[N+](=O)[O-] ZINC000457203218 232012995 /nfs/dbraw/zinc/01/29/95/232012995.db2.gz IMIPHLCNZAMIEY-UHFFFAOYSA-N 1 0 311.386 1.255 20 5 DDBDRO CN(CC(=O)NC[C@H]1CCC[C@H]([NH3+])C1)c1ccccc1[N+](=O)[O-] ZINC000449642601 282354914 /nfs/dbraw/zinc/35/49/14/282354914.db2.gz GPCWBJYZEMYYDP-STQMWFEESA-N 1 0 320.393 1.665 20 5 DDBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000299526827 530058048 /nfs/dbraw/zinc/05/80/48/530058048.db2.gz CNVIWFLRLGHIKQ-LLVKDONJSA-N 1 0 302.334 1.900 20 5 DDBDRO CC[N@@H+]1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000286770073 219157323 /nfs/dbraw/zinc/15/73/23/219157323.db2.gz ZUBHWUABKQBPCV-ZIAGYGMSSA-N 1 0 323.393 1.361 20 5 DDBDRO CCCc1n[nH]c(C(=O)NCC(C)(C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000068330260 190761618 /nfs/dbraw/zinc/76/16/18/190761618.db2.gz XOYHRBAMVPMTLL-UHFFFAOYSA-N 1 0 311.386 1.588 20 5 DDBDRO Nc1c(C(=O)N2CC3CCC2(C[NH3+])CC3)cccc1[N+](=O)[O-] ZINC000564579841 304003597 /nfs/dbraw/zinc/00/35/97/304003597.db2.gz DRENLCYRWLQWLB-UHFFFAOYSA-N 1 0 304.350 1.521 20 5 DDBDRO COCC[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])cnc2C)CC1 ZINC000141554981 186030639 /nfs/dbraw/zinc/03/06/39/186030639.db2.gz ULQROACAYCWQJB-UHFFFAOYSA-N 1 0 322.365 1.139 20 5 DDBDRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000237498787 186298032 /nfs/dbraw/zinc/29/80/32/186298032.db2.gz ZGLPHFSHTJEFLM-VHSXEESVSA-N 1 0 317.349 1.671 20 5 DDBDRO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@H](OCCO)C2)c1 ZINC000172298875 198074541 /nfs/dbraw/zinc/07/45/41/198074541.db2.gz QHRMWKLIQDYILM-HNNXBMFYSA-N 1 0 310.350 1.447 20 5 DDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@]2(O)CCOC2)n1 ZINC000331571662 233844859 /nfs/dbraw/zinc/84/48/59/233844859.db2.gz IUVNRDKIJREAQK-YRGRVCCFSA-N 1 0 310.354 1.016 20 5 DDBDRO CNC(=O)c1ccc(N[C@H]2CC[N@@H+]3CCCC[C@H]23)c([N+](=O)[O-])c1 ZINC000053572010 352660978 /nfs/dbraw/zinc/66/09/78/352660978.db2.gz ZPXWNKGSSDBAKB-UONOGXRCSA-N 1 0 318.377 1.993 20 5 DDBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000068211119 353096142 /nfs/dbraw/zinc/09/61/42/353096142.db2.gz VKEZKUZPFPNOCX-QWHCGFSZSA-N 1 0 323.397 1.418 20 5 DDBDRO C[N@@H+]1CCC[C@H](CNC(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000074160856 353296491 /nfs/dbraw/zinc/29/64/91/353296491.db2.gz AQVFYWMBYALQID-CYBMUJFWSA-N 1 0 320.393 1.778 20 5 DDBDRO CC(C)[C@H]1CCC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000075744951 353379231 /nfs/dbraw/zinc/37/92/31/353379231.db2.gz OEGKCHNRGHITIU-ZFWWWQNUSA-N 1 0 310.398 1.910 20 5 DDBDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNc2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000076269948 353410543 /nfs/dbraw/zinc/41/05/43/353410543.db2.gz HTWMMQAEQGMHMV-SNVBAGLBSA-N 1 0 308.386 1.889 20 5 DDBDRO CNC(=O)c1ccc(N2CC[N@H+](C)C[C@@H]2C(C)C)c([N+](=O)[O-])c1 ZINC000078022588 353501937 /nfs/dbraw/zinc/50/19/37/353501937.db2.gz VYRSHBMMNOOMBW-OAHLLOKOSA-N 1 0 320.393 1.731 20 5 DDBDRO C[C@H]1CCC[N@H+](CCNc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000079914614 353581912 /nfs/dbraw/zinc/58/19/12/353581912.db2.gz OXQIHQHUSVPXJH-NSHDSACASA-N 1 0 306.366 1.838 20 5 DDBDRO C[C@H]1CN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000092454750 353857568 /nfs/dbraw/zinc/85/75/68/353857568.db2.gz FTPSGTWZCKELSU-LBPRGKRZSA-N 1 0 315.377 1.789 20 5 DDBDRO C[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000093333663 353895731 /nfs/dbraw/zinc/89/57/31/353895731.db2.gz NDMHONBHJREZFC-RISCZKNCSA-N 1 0 307.350 1.626 20 5 DDBDRO CCc1nn(C)c(N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)c1[N+](=O)[O-] ZINC000094165942 353912442 /nfs/dbraw/zinc/91/24/42/353912442.db2.gz ANWRBMXTBASLGS-OUCADQQQSA-N 1 0 319.409 1.811 20 5 DDBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1c1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000588071919 354899367 /nfs/dbraw/zinc/89/93/67/354899367.db2.gz ZHGIUQBTWVCROV-FZMZJTMJSA-N 1 0 320.393 1.732 20 5 DDBDRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000588774919 354936209 /nfs/dbraw/zinc/93/62/09/354936209.db2.gz WJBBXWCHQMIRKD-UHFFFAOYSA-N 1 0 321.337 1.505 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@@](C)(C(N)=O)C2)c1 ZINC000589515643 354998969 /nfs/dbraw/zinc/99/89/69/354998969.db2.gz VSPOUUDQKKFIQC-OAHLLOKOSA-N 1 0 321.333 1.079 20 5 DDBDRO C[C@@H](C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)[NH+](C)C ZINC000589952813 355034639 /nfs/dbraw/zinc/03/46/39/355034639.db2.gz IKEYUHWCMMIJTM-JTQLQIEISA-N 1 0 304.350 1.685 20 5 DDBDRO COc1ccc(CC(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000590044220 355042452 /nfs/dbraw/zinc/04/24/52/355042452.db2.gz ISKOCPSNGZIHLT-GXTWGEPZSA-N 1 0 319.361 1.308 20 5 DDBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000590403345 355085362 /nfs/dbraw/zinc/08/53/62/355085362.db2.gz PJVOOLONDZWDIP-RYUDHWBXSA-N 1 0 307.350 1.525 20 5 DDBDRO CNC(=O)c1ccc(N2CC[C@H]([NH+](C)C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000590570409 355116611 /nfs/dbraw/zinc/11/66/11/355116611.db2.gz YSEPOVNBSFRPEP-JQWIXIFHSA-N 1 0 306.366 1.483 20 5 DDBDRO C[N@@H+]1C[C@H]2CCN(C(=O)c3c[nH]c4ccc([N+](=O)[O-])cc34)[C@@H]2C1 ZINC000590444722 355098744 /nfs/dbraw/zinc/09/87/44/355098744.db2.gz KEKZHHWPPQVFME-MEBBXXQBSA-N 1 0 314.345 1.852 20 5 DDBDRO CC[C@H]1[C@@H](CO)CC[N@@H+]1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000590655920 355139026 /nfs/dbraw/zinc/13/90/26/355139026.db2.gz MZFNRPSVYUMKFS-YPMHNXCESA-N 1 0 322.361 1.959 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(c3ncnc4sc([N+](=O)[O-])cc43)C[C@@H]21 ZINC000590720119 355155342 /nfs/dbraw/zinc/15/53/42/355155342.db2.gz UICIKPOQOHBTCY-SCZZXKLOSA-N 1 0 305.363 1.740 20 5 DDBDRO C[C@@H](C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000590776499 355176374 /nfs/dbraw/zinc/17/63/74/355176374.db2.gz OWMSTCBPFPZDDC-OSAQELSMSA-N 1 0 303.362 1.861 20 5 DDBDRO [NH3+]C/C=C\CNC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000591361032 355301751 /nfs/dbraw/zinc/30/17/51/355301751.db2.gz XTQHUUMQMLWHNE-BOPNBLERSA-N 1 0 318.377 1.999 20 5 DDBDRO C[C@H](C[C@@H]1CCOC1)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000591753782 355376896 /nfs/dbraw/zinc/37/68/96/355376896.db2.gz KRMPVPBKOSWPEO-HZSPNIEDSA-N 1 0 324.377 1.739 20 5 DDBDRO Cc1ncc(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])o1 ZINC000591770736 355381928 /nfs/dbraw/zinc/38/19/28/355381928.db2.gz PQMQSRYQZBSJNU-NSHDSACASA-N 1 0 307.306 1.421 20 5 DDBDRO O=C([C@H]1C[NH2+]CCC1(F)F)N1CCc2c1cccc2[N+](=O)[O-] ZINC000591667806 355357776 /nfs/dbraw/zinc/35/77/76/355357776.db2.gz ANQGPJXNBMWJHB-SNVBAGLBSA-N 1 0 311.288 1.729 20 5 DDBDRO CN(C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)C1(C[NH3+])CCC1 ZINC000591684981 355361893 /nfs/dbraw/zinc/36/18/93/355361893.db2.gz VPONYLGDMPYQJA-UHFFFAOYSA-N 1 0 321.333 1.319 20 5 DDBDRO C[C@H]([NH3+])[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000592309476 355556865 /nfs/dbraw/zinc/55/68/65/355556865.db2.gz RCTXGXZUIJONHU-UFBFGSQYSA-N 1 0 313.741 1.436 20 5 DDBDRO CC[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H](C)O ZINC000592431088 355581376 /nfs/dbraw/zinc/58/13/76/355581376.db2.gz ZMRFPCLIEJIXMN-GWCFXTLKSA-N 1 0 316.379 1.118 20 5 DDBDRO CNc1ccc(C(=O)N[C@@H]2[C@@H](C)CC[NH2+][C@H]2C)cc1[N+](=O)[O-] ZINC000592546560 355623131 /nfs/dbraw/zinc/62/31/31/355623131.db2.gz BCHIMTSJZDLRGV-PKFCDNJMSA-N 1 0 306.366 1.753 20 5 DDBDRO C[N@@H+]1CCC[C@@H]1CN1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000593000074 355765546 /nfs/dbraw/zinc/76/55/46/355765546.db2.gz UTBVFWOZJKNNMV-MRXNPFEDSA-N 1 0 304.394 1.811 20 5 DDBDRO C[C@H]1C[NH+](C)C[C@H](C)N1C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593109387 355800905 /nfs/dbraw/zinc/80/09/05/355800905.db2.gz IWIBUZYRYAJFKV-QWRGUYRKSA-N 1 0 309.341 1.827 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)[C@@H](C)C(C)(C)O)c1 ZINC000593029597 355774646 /nfs/dbraw/zinc/77/46/46/355774646.db2.gz CTSLGAVMKAXGFX-JTQLQIEISA-N 1 0 310.350 1.973 20 5 DDBDRO O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000593448167 355888104 /nfs/dbraw/zinc/88/81/04/355888104.db2.gz IQKQNKYXDNUXEO-CQSZACIVSA-N 1 0 321.352 1.973 20 5 DDBDRO COCC[NH+]1CCN(c2ccnc3cc([N+](=O)[O-])ccc32)CC1 ZINC000593453955 355889455 /nfs/dbraw/zinc/88/94/55/355889455.db2.gz BTLSCISYMGEZEX-UHFFFAOYSA-N 1 0 316.361 1.911 20 5 DDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CC[C@@]2(O)CCOC2)n1 ZINC000593721308 355976265 /nfs/dbraw/zinc/97/62/65/355976265.db2.gz PCMOVEDCULEUNC-GZBFAFLISA-N 1 0 324.381 1.406 20 5 DDBDRO NC(=O)[C@H]1C[C@@H]([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000593724341 355977224 /nfs/dbraw/zinc/97/72/24/355977224.db2.gz YILRYVPFIIQUAX-HZSPNIEDSA-N 1 0 303.362 1.769 20 5 DDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000593910140 356054717 /nfs/dbraw/zinc/05/47/17/356054717.db2.gz RLCKZFHKEHTBDU-ZIAGYGMSSA-N 1 0 303.362 1.784 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCCCC[C@@H]1CO ZINC000594017223 356089847 /nfs/dbraw/zinc/08/98/47/356089847.db2.gz VQWCGWKJPHVLBY-ZIAGYGMSSA-N 1 0 324.377 1.571 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000594452089 356222621 /nfs/dbraw/zinc/22/26/21/356222621.db2.gz XIVBEDHXJOCTSF-SECBINFHSA-N 1 0 307.228 1.223 20 5 DDBDRO O=[N+]([O-])c1cc2c(nc1N1CC[N@@H+]3C[C@H](O)C[C@H]3C1)CCCC2 ZINC000594603721 356261521 /nfs/dbraw/zinc/26/15/21/356261521.db2.gz MDMFUQCUNHFNNA-QWHCGFSZSA-N 1 0 318.377 1.124 20 5 DDBDRO [NH3+]C[C@H](O)CCc1cn(-c2ccc(Cl)cc2[N+](=O)[O-])nn1 ZINC000594651806 356275476 /nfs/dbraw/zinc/27/54/76/356275476.db2.gz HSMPANNNXXDTRU-SNVBAGLBSA-N 1 0 311.729 1.081 20 5 DDBDRO CSCC1(CC[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000594715985 356294519 /nfs/dbraw/zinc/29/45/19/356294519.db2.gz FPBWVLJOCFMYGP-LBPRGKRZSA-N 1 0 314.411 1.275 20 5 DDBDRO COc1cc(C[NH2+][C@H]2C[C@H](O)C23CCC3)c([N+](=O)[O-])cc1O ZINC000594985855 356368162 /nfs/dbraw/zinc/36/81/62/356368162.db2.gz AYIMBLUQARFXTN-KBPBESRZSA-N 1 0 308.334 1.702 20 5 DDBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+][C@H]1C[C@@H](O)C13CCC3)OCCO2 ZINC000594988251 356368611 /nfs/dbraw/zinc/36/86/11/356368611.db2.gz OHNBFUYNIAYLGN-LSDHHAIUSA-N 1 0 320.345 1.759 20 5 DDBDRO C[C@H]([NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C1(CO)CC1 ZINC000594967889 356365468 /nfs/dbraw/zinc/36/54/68/356365468.db2.gz AGEWQASENKYPPZ-JTQLQIEISA-N 1 0 308.334 1.617 20 5 DDBDRO C[C@@H]1CCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])C[C@@H]1[NH3+] ZINC000595229448 356411979 /nfs/dbraw/zinc/41/19/79/356411979.db2.gz ZJAXXXOKXKYKLX-NEPJUHHUSA-N 1 0 306.366 1.227 20 5 DDBDRO COc1ccc(CC(=O)N2CC[C@@H](C)[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000595228901 356412139 /nfs/dbraw/zinc/41/21/39/356412139.db2.gz PPBYUOUKRZDJJF-PWSUYJOCSA-N 1 0 307.350 1.342 20 5 DDBDRO COc1ccc(CNC(=O)NCC[C@@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000595264502 356425295 /nfs/dbraw/zinc/42/52/95/356425295.db2.gz ZRBSKRVEEZLHBH-GFCCVEGCSA-N 1 0 324.381 1.776 20 5 DDBDRO COCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2OC)CCOCC1 ZINC000595498946 356519668 /nfs/dbraw/zinc/51/96/68/356519668.db2.gz HYHHAGUDGNNSIX-UHFFFAOYSA-N 1 0 310.350 1.889 20 5 DDBDRO CCOc1cc(C(=O)N[C@@H]2CCC[NH2+]C2)c([N+](=O)[O-])cc1OC ZINC000236894701 202058372 /nfs/dbraw/zinc/05/83/72/202058372.db2.gz RJFRPGCLSMTBOJ-SNVBAGLBSA-N 1 0 323.349 1.484 20 5 DDBDRO C[C@H]1CCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H]1CCO ZINC000595695905 356612397 /nfs/dbraw/zinc/61/23/97/356612397.db2.gz JBFUFRFUZJUKGA-FZMZJTMJSA-N 1 0 321.377 1.677 20 5 DDBDRO C[C@@H]1C[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@H](C)[C@H]1O ZINC000595744150 356632168 /nfs/dbraw/zinc/63/21/68/356632168.db2.gz TVXJDOXJUXFWST-RSUWNVLCSA-N 1 0 324.377 1.283 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC000595736341 356628245 /nfs/dbraw/zinc/62/82/45/356628245.db2.gz FAVGTCMYXPGLPT-BXUZGUMPSA-N 1 0 319.361 1.704 20 5 DDBDRO Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+]CCn2ccc([N+](=O)[O-])n2)cn1 ZINC000595768660 356644935 /nfs/dbraw/zinc/64/49/35/356644935.db2.gz FZWSQGGVBDJWCR-KBPBESRZSA-N 1 0 318.381 1.526 20 5 DDBDRO O=C(CC[NH2+][C@H]1C[C@@H](O)C12CCC2)Nc1ccc([N+](=O)[O-])cc1 ZINC000595782032 356650069 /nfs/dbraw/zinc/65/00/69/356650069.db2.gz NDIRMXZEXQJNHD-UONOGXRCSA-N 1 0 319.361 1.817 20 5 DDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@H](C)[C@](C)(CO)C1 ZINC000595869414 356685786 /nfs/dbraw/zinc/68/57/86/356685786.db2.gz CWGFIAOHWNAVAQ-OZVIIMIRSA-N 1 0 321.377 1.872 20 5 DDBDRO CCOc1ccc(NC(=O)CN(C)CC(C)(C)[NH3+])c([N+](=O)[O-])c1 ZINC000595901387 356697862 /nfs/dbraw/zinc/69/78/62/356697862.db2.gz GQYFNFTUTLYWHV-UHFFFAOYSA-N 1 0 324.381 1.601 20 5 DDBDRO Cc1ccc(NC(=O)c2cn[nH]c2[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000595923676 356706491 /nfs/dbraw/zinc/70/64/91/356706491.db2.gz AWZRCFXZVCOOTK-JTQLQIEISA-N 1 0 315.333 1.956 20 5 DDBDRO CN(CC(C)(C)[NH3+])C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000595944955 356717464 /nfs/dbraw/zinc/71/74/64/356717464.db2.gz MABPUYFWSKMQFS-UHFFFAOYSA-N 1 0 317.349 1.590 20 5 DDBDRO CC(C)C[NH+]1CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000596052364 356754036 /nfs/dbraw/zinc/75/40/36/356754036.db2.gz DJVJXWPEWKPESB-UHFFFAOYSA-N 1 0 306.366 1.472 20 5 DDBDRO C[C@@H]1CCCN(c2ccc(C(=O)NCC[NH3+])cc2[N+](=O)[O-])C1 ZINC000347508653 283219056 /nfs/dbraw/zinc/21/90/56/283219056.db2.gz ZRQUHUJXPCNMAK-LLVKDONJSA-N 1 0 306.366 1.520 20 5 DDBDRO C[NH2+]C[C@@H]1CCCN(C(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000237169382 202173571 /nfs/dbraw/zinc/17/35/71/202173571.db2.gz GSYKJXJUAJAGEJ-ZDUSSCGKSA-N 1 0 320.393 1.855 20 5 DDBDRO CC(C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000596105302 356773792 /nfs/dbraw/zinc/77/37/92/356773792.db2.gz NBCULHRBZJOZIV-UHFFFAOYSA-N 1 0 306.366 1.661 20 5 DDBDRO C[NH+](C)CCC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CCO1 ZINC000596497306 356898435 /nfs/dbraw/zinc/89/84/35/356898435.db2.gz ODLRXRAYJSHILY-LBPRGKRZSA-N 1 0 310.354 1.106 20 5 DDBDRO COC(=O)COc1ccc(C[N@H+](C)C2(CO)CC2)cc1[N+](=O)[O-] ZINC000597252921 357111074 /nfs/dbraw/zinc/11/10/74/357111074.db2.gz CHPLUIRYVPKGGU-UHFFFAOYSA-N 1 0 324.333 1.103 20 5 DDBDRO CCOc1ccc(C(=O)N2CCC3(C[NH+](C)C3)C2)cc1[N+](=O)[O-] ZINC000597572295 357232748 /nfs/dbraw/zinc/23/27/48/357232748.db2.gz OLOUIMWXGVBLMA-UHFFFAOYSA-N 1 0 319.361 1.771 20 5 DDBDRO CC(=O)NCC[C@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000347670950 283251030 /nfs/dbraw/zinc/25/10/30/283251030.db2.gz YDJLZRQJVRLCTL-CYBMUJFWSA-N 1 0 309.370 1.030 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)n1 ZINC000597860241 357362777 /nfs/dbraw/zinc/36/27/77/357362777.db2.gz MLQOYVBJABVMFX-JTQLQIEISA-N 1 0 309.370 1.414 20 5 DDBDRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000597925916 357385291 /nfs/dbraw/zinc/38/52/91/357385291.db2.gz YEQHDPLILCGKNW-JTQLQIEISA-N 1 0 308.338 1.298 20 5 DDBDRO CN(CC1C[NH+](C)C1)C(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000598159593 357478038 /nfs/dbraw/zinc/47/80/38/357478038.db2.gz KGFUAFBXZNZYPO-UHFFFAOYSA-N 1 0 305.378 1.892 20 5 DDBDRO CN(CC1C[NH+](C)C1)C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000598162016 357478580 /nfs/dbraw/zinc/47/85/80/357478580.db2.gz GIVSLEOONSKOGI-UHFFFAOYSA-N 1 0 306.366 1.417 20 5 DDBDRO COc1cc(C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)ccc1[N+](=O)[O-] ZINC000598669632 357679238 /nfs/dbraw/zinc/67/92/38/357679238.db2.gz KOHUZFQJEWBVJE-XHDPSFHLSA-N 1 0 305.334 1.557 20 5 DDBDRO COc1c(C(=O)N2CC[NH2+][C@@H](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000598571968 357637227 /nfs/dbraw/zinc/63/72/27/357637227.db2.gz ITRDOMWHZDOUQY-GFCCVEGCSA-N 1 0 307.350 1.673 20 5 DDBDRO C[C@H](CCCC[NH3+])NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598913850 357756687 /nfs/dbraw/zinc/75/66/87/357756687.db2.gz PTZJUSLILLHWNG-SNVBAGLBSA-N 1 0 308.338 1.167 20 5 DDBDRO O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)Nc1ccc([N+](=O)[O-])cc1F ZINC000598916405 357757365 /nfs/dbraw/zinc/75/73/65/357757365.db2.gz YFMVEMLCJGEYSR-YUMQZZPRSA-N 1 0 300.265 1.555 20 5 DDBDRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598915472 357757563 /nfs/dbraw/zinc/75/75/63/357757563.db2.gz MMRNBTGGDTUHCN-GWCFXTLKSA-N 1 0 320.349 1.262 20 5 DDBDRO C[C@H]1CC[C@@H](NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C[NH2+]1 ZINC000599102890 357815657 /nfs/dbraw/zinc/81/56/57/357815657.db2.gz GTTNTDDVZAYXGU-CMPLNLGQSA-N 1 0 313.379 1.155 20 5 DDBDRO Cc1cnc(N2CCC(C)([NH+]3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000599160976 357833154 /nfs/dbraw/zinc/83/31/54/357833154.db2.gz RIOMHOOTRLHEFM-UHFFFAOYSA-N 1 0 320.393 1.989 20 5 DDBDRO COC(=O)C[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)C1CCCCC1 ZINC000347966029 283307925 /nfs/dbraw/zinc/30/79/25/283307925.db2.gz SCFFXODJHSYGAE-CYBMUJFWSA-N 1 0 324.381 1.893 20 5 DDBDRO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000599625016 357997253 /nfs/dbraw/zinc/99/72/53/357997253.db2.gz KVOYVURSXYISDY-YCSFKOBZSA-N 1 0 324.377 1.736 20 5 DDBDRO C[C@H](NC(=O)NCCOCCC[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000599909282 358079068 /nfs/dbraw/zinc/07/90/68/358079068.db2.gz WWSHZSBHYGSDSU-NSHDSACASA-N 1 0 310.354 1.320 20 5 DDBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH+](CCO)CCO)o2)cc1 ZINC000600178667 358148443 /nfs/dbraw/zinc/14/84/43/358148443.db2.gz ADBUJPYKHBXVLZ-UHFFFAOYSA-N 1 0 306.318 1.641 20 5 DDBDRO O=C(NCC[N@H+]1CC[C@@H](O)C1)c1ccc([N+](=O)[O-])cc1Cl ZINC000600528247 358249136 /nfs/dbraw/zinc/24/91/36/358249136.db2.gz QOALUDXFZNWPHD-SNVBAGLBSA-N 1 0 313.741 1.045 20 5 DDBDRO CC(C)[C@@H]1C[NH2+]CCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000600716623 358293337 /nfs/dbraw/zinc/29/33/37/358293337.db2.gz ZMDIDPFDIPWKHX-AWEZNQCLSA-N 1 0 306.366 1.124 20 5 DDBDRO O=[N+]([O-])c1ccc(OCCNC[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000600723677 358296964 /nfs/dbraw/zinc/29/69/64/358296964.db2.gz DESRZXMMXWFVSZ-CQSZACIVSA-N 1 0 309.366 1.020 20 5 DDBDRO C[C@H]1CC[C@@H](NCc2cc3c(cc2[N+](=O)[O-])OCCO3)C[NH2+]1 ZINC000600679968 358281262 /nfs/dbraw/zinc/28/12/62/358281262.db2.gz QCJQLFBYIGKJHY-CMPLNLGQSA-N 1 0 307.350 1.596 20 5 DDBDRO CC[C@H]1C[N@H+](C)CCCN1c1ccc(C(=O)NC)cc1[N+](=O)[O-] ZINC000601192550 358441113 /nfs/dbraw/zinc/44/11/13/358441113.db2.gz WRZFDEIKWGJSEF-ZDUSSCGKSA-N 1 0 320.393 1.875 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC(C[NH+](C)C)C1 ZINC000601423822 358546635 /nfs/dbraw/zinc/54/66/35/358546635.db2.gz NPHQJURYEBZWGM-UHFFFAOYSA-N 1 0 313.379 1.085 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000601972972 358760421 /nfs/dbraw/zinc/76/04/21/358760421.db2.gz BABICQMNCGHELJ-GASCZTMLSA-N 1 0 304.350 1.370 20 5 DDBDRO Cc1ccc(C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cc1[N+](=O)[O-] ZINC000601976174 358761919 /nfs/dbraw/zinc/76/19/19/358761919.db2.gz OAHNOLXUFUBGSP-IYBDPMFKSA-N 1 0 303.362 1.975 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@@H]([NH+]3CCCC3)C2)n1 ZINC000602167261 358858633 /nfs/dbraw/zinc/85/86/33/358858633.db2.gz MCGMFAHKQRVFTE-PHIMTYICSA-N 1 0 307.354 1.168 20 5 DDBDRO Cc1nn(C)c(C(=O)N[C@@H]2C[C@@H]([NH+](C)C)C2(C)C)c1[N+](=O)[O-] ZINC000602170327 358861539 /nfs/dbraw/zinc/86/15/39/358861539.db2.gz JDRSKEQVYXDSAM-NXEZZACHSA-N 1 0 309.370 1.095 20 5 DDBDRO C[NH+](C)[C@H]1C[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000602170142 358862026 /nfs/dbraw/zinc/86/20/26/358862026.db2.gz IKTXFVYMAOAQJL-KBPBESRZSA-N 1 0 305.378 1.982 20 5 DDBDRO CNc1ccc(C(=O)N[C@@H]2CC[NH2+]C23CCC3)cc1[N+](=O)[O-] ZINC000602526091 359026542 /nfs/dbraw/zinc/02/65/42/359026542.db2.gz KVSQFGFAYCISAD-CYBMUJFWSA-N 1 0 304.350 1.651 20 5 DDBDRO C[NH2+]CCOCCN(C)C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000602545728 359037036 /nfs/dbraw/zinc/03/70/36/359037036.db2.gz OJPYZOJGBGJYJD-UHFFFAOYSA-N 1 0 321.333 1.649 20 5 DDBDRO CSc1ccc(C(=O)NC[C@@H]2COCC[NH2+]2)cc1[N+](=O)[O-] ZINC000602559154 359045037 /nfs/dbraw/zinc/04/50/37/359045037.db2.gz UKDNNTXVXOJTFY-SNVBAGLBSA-N 1 0 311.363 1.035 20 5 DDBDRO CO[C@@H]1C[NH2+][C@](C)(C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000602463286 358994520 /nfs/dbraw/zinc/99/45/20/358994520.db2.gz ADALTRYFHHCLDP-RBOXIYTFSA-N 1 0 321.377 1.847 20 5 DDBDRO COc1ccc2c(c1)CC[N@@H+](Cc1cn(C)nc1[N+](=O)[O-])CC2 ZINC000602624473 359081276 /nfs/dbraw/zinc/08/12/76/359081276.db2.gz BOLAVMOEFJUHPB-UHFFFAOYSA-N 1 0 316.361 1.938 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CCN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000602774803 359180578 /nfs/dbraw/zinc/18/05/78/359180578.db2.gz BMPJEZQZTWDNMY-AWEZNQCLSA-N 1 0 307.398 1.660 20 5 DDBDRO Cn1cc(C[N@@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)c([N+](=O)[O-])n1 ZINC000602688714 359126093 /nfs/dbraw/zinc/12/60/93/359126093.db2.gz YHUUJWYWFNSLPV-UONOGXRCSA-N 1 0 308.382 1.701 20 5 DDBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCc3nnnn3CC2)cc1 ZINC000602693347 359129417 /nfs/dbraw/zinc/12/94/17/359129417.db2.gz GDXQFCSSZDAZMQ-GFCCVEGCSA-N 1 0 302.338 1.119 20 5 DDBDRO COCC1(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1 ZINC000602706426 359137134 /nfs/dbraw/zinc/13/71/34/359137134.db2.gz RKBCQOZEAQQEIZ-UHFFFAOYSA-N 1 0 320.393 1.975 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000602836713 359227619 /nfs/dbraw/zinc/22/76/19/359227619.db2.gz GYFPVVHNNMRBDH-LBPRGKRZSA-N 1 0 324.772 1.897 20 5 DDBDRO CS[C@H]1CN(CCn2c(C)ncc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000602797270 359199137 /nfs/dbraw/zinc/19/91/37/359199137.db2.gz IBPQQAYJLGVXTI-RYUDHWBXSA-N 1 0 313.427 1.077 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](CO)[C@@H](C)c1ccccc1 ZINC000602809051 359205683 /nfs/dbraw/zinc/20/56/83/359205683.db2.gz DWXNSMTXJWJQLY-WFASDCNBSA-N 1 0 318.377 1.854 20 5 DDBDRO Cn1cc(C[N@@H+]2CC3(CCOCC3)CC[C@H]2CO)c([N+](=O)[O-])n1 ZINC000602917645 359294190 /nfs/dbraw/zinc/29/41/90/359294190.db2.gz SVEZTOGQHJXZTJ-ZDUSSCGKSA-N 1 0 324.381 1.082 20 5 DDBDRO Cn1c(C(=O)N2CC[N@H+](C)[C@H](C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000603142475 359431276 /nfs/dbraw/zinc/43/12/76/359431276.db2.gz MVMWJFKYMSUFJE-LBPRGKRZSA-N 1 0 308.382 1.736 20 5 DDBDRO C[NH+]1CCN(Cc2cn(Cc3csc([N+](=O)[O-])c3)nn2)CC1 ZINC000603205670 359479756 /nfs/dbraw/zinc/47/97/56/359479756.db2.gz HDNJMSOYOUXSMJ-UHFFFAOYSA-N 1 0 322.394 1.044 20 5 DDBDRO O=[N+]([O-])c1ccccc1Cn1cc(C[C@@H]2CCC[NH2+]C2)nn1 ZINC000603187308 359466782 /nfs/dbraw/zinc/46/67/82/359466782.db2.gz RCDXJKCBVDHCPR-LBPRGKRZSA-N 1 0 301.350 1.777 20 5 DDBDRO CCOc1ccc(C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)cc1[N+](=O)[O-] ZINC000186862745 200023191 /nfs/dbraw/zinc/02/31/91/200023191.db2.gz HCBIZRHSYGVBTD-ZYHUDNBSSA-N 1 0 307.350 1.721 20 5 DDBDRO CC(C)[NH2+][C@@H]1CCCN(C(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000604561709 359771080 /nfs/dbraw/zinc/77/10/80/359771080.db2.gz SGHXMLMZMCXTKD-CYBMUJFWSA-N 1 0 321.377 1.963 20 5 DDBDRO CN1CCC[C@H]([NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000618565177 363676023 /nfs/dbraw/zinc/67/60/23/363676023.db2.gz GCTIJXKZWIDRME-IHRRRGAJSA-N 1 0 307.398 1.959 20 5 DDBDRO Cc1cc(C)c(S(=O)(=O)N[C@@H](C)C[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000565774618 304091155 /nfs/dbraw/zinc/09/11/55/304091155.db2.gz IABXTSVMEZMILZ-MNOVXSKESA-N 1 0 315.395 1.616 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000281153034 216115470 /nfs/dbraw/zinc/11/54/70/216115470.db2.gz FQZXGBYUFUHSQA-OCCSQVGLSA-N 1 0 305.334 1.834 20 5 DDBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000609833272 360353816 /nfs/dbraw/zinc/35/38/16/360353816.db2.gz FVHUSXLVXQMZAU-ZDUSSCGKSA-N 1 0 321.377 1.964 20 5 DDBDRO CN(CCCC[NH+](C)C)C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000610473552 360444564 /nfs/dbraw/zinc/44/45/64/360444564.db2.gz BWCIHHRTZVLDLB-UHFFFAOYSA-N 1 0 323.349 1.737 20 5 DDBDRO Cc1cnc(N2CCC[N@H+](C[C@@H]3CCCO3)CC2)c([N+](=O)[O-])c1 ZINC000610489135 360449979 /nfs/dbraw/zinc/44/99/79/360449979.db2.gz FTQYOOWDKKMGBF-AWEZNQCLSA-N 1 0 320.393 1.989 20 5 DDBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CCCN(C)C1 ZINC000610804183 360541283 /nfs/dbraw/zinc/54/12/83/360541283.db2.gz MTEFRYQVWIXQFV-JSGCOSHPSA-N 1 0 320.393 1.996 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000611185063 360652816 /nfs/dbraw/zinc/65/28/16/360652816.db2.gz HAEWWYZKLCMALE-CYBMUJFWSA-N 1 0 317.349 1.290 20 5 DDBDRO CCCC[N@H+](CCO)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611249838 360679641 /nfs/dbraw/zinc/67/96/41/360679641.db2.gz AUANLXUZNJILCU-UHFFFAOYSA-N 1 0 310.350 1.960 20 5 DDBDRO C[NH+](C)C[C@H]1CCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611271650 360686028 /nfs/dbraw/zinc/68/60/28/360686028.db2.gz HRVSCQKLEYLQDE-GFCCVEGCSA-N 1 0 321.377 1.750 20 5 DDBDRO C[N@@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C[C@H]1CCOC1 ZINC000611275762 360686892 /nfs/dbraw/zinc/68/68/92/360686892.db2.gz UGIJWDLWKVVTED-LLVKDONJSA-N 1 0 308.334 1.834 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)Cc1ccc2c(c1)OCO2 ZINC000611567810 360763155 /nfs/dbraw/zinc/76/31/55/360763155.db2.gz JLJMNDVTRAJBGJ-UHFFFAOYSA-N 1 0 318.333 1.960 20 5 DDBDRO Cc1c(CC(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000292453037 223091311 /nfs/dbraw/zinc/09/13/11/223091311.db2.gz KZTJBJIGEQKDPR-UONOGXRCSA-N 1 0 303.362 1.656 20 5 DDBDRO C[NH+](C)C[C@H]1CCN(c2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000612444793 361019684 /nfs/dbraw/zinc/01/96/84/361019684.db2.gz NIVYWVFXKIFXKJ-LLVKDONJSA-N 1 0 301.350 1.926 20 5 DDBDRO CCn1c(CC[NH3+])nnc1Sc1nc(C)cc(C)c1[N+](=O)[O-] ZINC000359091676 299325475 /nfs/dbraw/zinc/32/54/75/299325475.db2.gz FGXJFBUXZJWGOI-UHFFFAOYSA-N 1 0 322.394 1.870 20 5 DDBDRO COc1cc(OCC(=O)N[C@H]2CCC[NH2+][C@H]2C)ccc1[N+](=O)[O-] ZINC000193601851 201084208 /nfs/dbraw/zinc/08/42/08/201084208.db2.gz FRQCLPOTAVHMFH-JQWIXIFHSA-N 1 0 323.349 1.239 20 5 DDBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NCCC[NH+](C)C ZINC000619810176 364159479 /nfs/dbraw/zinc/15/94/79/364159479.db2.gz RMLSEVKJKTVQQA-UHFFFAOYSA-N 1 0 308.382 1.730 20 5 DDBDRO CC(C)[C@@H](O)CC[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000566234901 304131504 /nfs/dbraw/zinc/13/15/04/304131504.db2.gz UMJYJGCOXJDPFQ-HIFRSBDPSA-N 1 0 312.366 1.331 20 5 DDBDRO Cc1ccc([C@@H](C)NC(=O)[C@H]([NH3+])C2CCOCC2)cc1[N+](=O)[O-] ZINC000261884880 203143637 /nfs/dbraw/zinc/14/36/37/203143637.db2.gz UZGSTQGRRLGZJX-IAQYHMDHSA-N 1 0 321.377 1.834 20 5 DDBDRO COc1cc(C(=O)N[C@H]2[C@@H](C)[NH2+]CC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000262392027 203281433 /nfs/dbraw/zinc/28/14/33/203281433.db2.gz BJCRTRRFDIIKLW-IMSIIYSGSA-N 1 0 307.350 1.720 20 5 DDBDRO COc1cc(C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000262487895 203306512 /nfs/dbraw/zinc/30/65/12/203306512.db2.gz KPQUQHJQWQUMRY-RYUDHWBXSA-N 1 0 305.334 1.427 20 5 DDBDRO O=C(CCOc1ccccc1[N+](=O)[O-])NCC[C@H]1CC[NH2+]C1 ZINC000262566958 203333350 /nfs/dbraw/zinc/33/33/50/203333350.db2.gz DPHQUJXZFSTHND-GFCCVEGCSA-N 1 0 307.350 1.480 20 5 DDBDRO CCCc1n[nH]c(C(=O)N[C@@H]2CC[C@@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000093986716 193334838 /nfs/dbraw/zinc/33/48/38/193334838.db2.gz RZCPNGKNCTYRQV-NXEZZACHSA-N 1 0 309.370 1.483 20 5 DDBDRO COc1cc(OCC(=O)N[C@H]2CC[NH2+][C@H](C)C2)ccc1[N+](=O)[O-] ZINC000262961743 203421099 /nfs/dbraw/zinc/42/10/99/203421099.db2.gz WPTUBFOGZVLCAQ-MNOVXSKESA-N 1 0 323.349 1.239 20 5 DDBDRO O=C(N[C@H]1C[NH2+]CCC1(F)F)c1ccc([N+](=O)[O-])cc1Cl ZINC000449658768 284245527 /nfs/dbraw/zinc/24/55/27/284245527.db2.gz UIOYTHRHRJVDMG-JTQLQIEISA-N 1 0 319.695 1.975 20 5 DDBDRO NC(=O)[C@H]1CCC[N@@H+]1CCCNc1ccc(F)cc1[N+](=O)[O-] ZINC000264627346 204039409 /nfs/dbraw/zinc/03/94/09/204039409.db2.gz SVXFDHZRCREMFL-GFCCVEGCSA-N 1 0 310.329 1.486 20 5 DDBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000282728791 217206363 /nfs/dbraw/zinc/20/63/63/217206363.db2.gz LAZWGSFMDIEBQJ-OAHLLOKOSA-N 1 0 320.393 1.873 20 5 DDBDRO C[C@@H](c1ccc(F)cc1)[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266416827 205331387 /nfs/dbraw/zinc/33/13/87/205331387.db2.gz HORHLHQYLUZQQV-NHYWBVRUSA-N 1 0 322.340 1.984 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C1CC(F)(F)C1 ZINC000567043450 304194371 /nfs/dbraw/zinc/19/43/71/304194371.db2.gz XFDIPQICPOPHRQ-SNVBAGLBSA-N 1 0 302.277 1.722 20 5 DDBDRO CC[NH+]1CCN(c2cc(C)c([N+](=O)[O-])c(C(=O)OC)c2)CC1 ZINC000267921752 206338891 /nfs/dbraw/zinc/33/88/91/206338891.db2.gz FJJKGXGFAYDBME-UHFFFAOYSA-N 1 0 307.350 1.832 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCC[NH2+]C1CC1 ZINC000036267427 248183302 /nfs/dbraw/zinc/18/33/02/248183302.db2.gz BNMZZCZGIUUCMU-UHFFFAOYSA-N 1 0 313.379 1.324 20 5 DDBDRO C[C@H](CCC[NH3+])NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000336844129 249252085 /nfs/dbraw/zinc/25/20/85/249252085.db2.gz YLNQSCGKPWYFGX-SNVBAGLBSA-N 1 0 301.368 1.142 20 5 DDBDRO NC(=O)C[C@@H]1CCCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000339136978 250309317 /nfs/dbraw/zinc/30/93/17/250309317.db2.gz NVMKYTOOKRRBMK-LBPRGKRZSA-N 1 0 307.350 1.704 20 5 DDBDRO CC[C@@H]1C[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@H]1O ZINC000341042250 251350452 /nfs/dbraw/zinc/35/04/52/251350452.db2.gz HEUQOASJMYLDNJ-KCPJHIHWSA-N 1 0 319.361 1.403 20 5 DDBDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000341058941 251360419 /nfs/dbraw/zinc/36/04/19/251360419.db2.gz LQGPPCVYYBMZBX-CHWSQXEVSA-N 1 0 323.397 1.561 20 5 DDBDRO C[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC[C@@H]1[NH3+] ZINC000269221921 207340919 /nfs/dbraw/zinc/34/09/19/207340919.db2.gz RYVMYODYJHIEEW-RNCFNFMXSA-N 1 0 311.769 1.986 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000269228983 207350904 /nfs/dbraw/zinc/35/09/04/207350904.db2.gz VBHALQAQMAQJLZ-UHFFFAOYSA-N 1 0 315.333 1.384 20 5 DDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@H](C[NH+](C)C)C1 ZINC000114198530 194638819 /nfs/dbraw/zinc/63/88/19/194638819.db2.gz JOHJVDOOKAPCHU-CHWSQXEVSA-N 1 0 320.393 1.805 20 5 DDBDRO COCCNC(=O)C1([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000414209477 532996486 /nfs/dbraw/zinc/99/64/86/532996486.db2.gz MPYVUCJBALZODB-LBPRGKRZSA-N 1 0 321.377 1.849 20 5 DDBDRO COc1ccc(CNc2ccn(CC[NH+](C)C)n2)cc1[N+](=O)[O-] ZINC000119835609 195046559 /nfs/dbraw/zinc/04/65/59/195046559.db2.gz QFLZLJDZOWFPFM-UHFFFAOYSA-N 1 0 319.365 1.974 20 5 DDBDRO CN(CC(=O)N1CC[C@@]2(CC[NH2+]C2)C1)c1ccccc1[N+](=O)[O-] ZINC000159072997 197324955 /nfs/dbraw/zinc/32/49/55/197324955.db2.gz GUUBFWPZBSYZKI-MRXNPFEDSA-N 1 0 318.377 1.243 20 5 DDBDRO Cc1nn(CCC(=O)N[C@H]2CCCC[C@H]2C[NH3+])c(C)c1[N+](=O)[O-] ZINC000158684546 197294076 /nfs/dbraw/zinc/29/40/76/197294076.db2.gz UHESEHSVXBUGNG-STQMWFEESA-N 1 0 323.397 1.432 20 5 DDBDRO [NH3+][C@H]1CCCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000157706683 197209090 /nfs/dbraw/zinc/20/90/90/197209090.db2.gz KLTMOJHKDSIWIW-LBPRGKRZSA-N 1 0 315.333 1.344 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[N@@H+](CCO)[C@H]2CCc3ccccc32)n1 ZINC000176242618 285167987 /nfs/dbraw/zinc/16/79/87/285167987.db2.gz FRUCHYSLPTTYSD-HNNXBMFYSA-N 1 0 316.361 1.773 20 5 DDBDRO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000157647489 197204270 /nfs/dbraw/zinc/20/42/70/197204270.db2.gz YRNOMQDDUCANHX-GZMMTYOYSA-N 1 0 303.322 1.328 20 5 DDBDRO C[C@@H](NC(=O)N1CCOC2(C[NH2+]C2)C1)c1cccc([N+](=O)[O-])c1 ZINC000417128017 533127769 /nfs/dbraw/zinc/12/77/69/533127769.db2.gz HIDZTWNUZDOXBD-LLVKDONJSA-N 1 0 320.349 1.040 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@H]1CCC[C@@H]1O ZINC000352661542 285205595 /nfs/dbraw/zinc/20/55/95/285205595.db2.gz UALZPJGHNAVZEL-KBPBESRZSA-N 1 0 307.350 1.687 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCC[NH2+]CC1 ZINC000417191737 533220999 /nfs/dbraw/zinc/22/09/99/533220999.db2.gz ZYHBGMLRRROPRJ-UHFFFAOYSA-N 1 0 308.338 1.108 20 5 DDBDRO O=[N+]([O-])c1cnc(N[C@H]2CCC[N@@H+](CCCO)C2)c(Cl)c1 ZINC000294871080 224276483 /nfs/dbraw/zinc/27/64/83/224276483.db2.gz DFSOBMKSQLIENO-JTQLQIEISA-N 1 0 314.773 1.902 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](F)C1 ZINC000451189558 533224063 /nfs/dbraw/zinc/22/40/63/533224063.db2.gz FPFXJJDXFQVQSV-SNVBAGLBSA-N 1 0 311.313 1.976 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1CNC[C@@]1(COC)CCC[NH2+]1 ZINC000414945635 224424154 /nfs/dbraw/zinc/42/41/54/224424154.db2.gz QUJBMMAWSOQDBA-MRXNPFEDSA-N 1 0 323.393 1.852 20 5 DDBDRO C[C@H](CCO)[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000121041674 195285632 /nfs/dbraw/zinc/28/56/32/195285632.db2.gz OPUQFOSEZTYACD-LLVKDONJSA-N 1 0 304.350 1.856 20 5 DDBDRO COc1cccc(C(=O)N2CCC([C@H](C)[NH3+])CC2)c1[N+](=O)[O-] ZINC000422796629 533398050 /nfs/dbraw/zinc/39/80/50/533398050.db2.gz YTDYIGXQLQYKGQ-JTQLQIEISA-N 1 0 307.350 1.803 20 5 DDBDRO CO[C@@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H]1C ZINC000451578517 533415688 /nfs/dbraw/zinc/41/56/88/533415688.db2.gz XKIGOQXZHCKPGW-IINYFYTJSA-N 1 0 307.350 1.551 20 5 DDBDRO COc1cc(C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)ccc1[N+](=O)[O-] ZINC000292364528 533525452 /nfs/dbraw/zinc/52/54/52/533525452.db2.gz WHDZNWWUSNGCOW-INIZCTEOSA-N 1 0 319.361 1.771 20 5 DDBDRO COc1ccc(CNC(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)cc1[N+](=O)[O-] ZINC000417199858 533604593 /nfs/dbraw/zinc/60/45/93/533604593.db2.gz ZGJWATASVFFTFV-QWRGUYRKSA-N 1 0 322.365 1.495 20 5 DDBDRO C/C=C/C[C@H](CO)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000568393506 304290865 /nfs/dbraw/zinc/29/08/65/304290865.db2.gz DOJIVPCBVAFBNC-SDEBIZQBSA-N 1 0 310.350 1.251 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])c1 ZINC000569095397 304336233 /nfs/dbraw/zinc/33/62/33/304336233.db2.gz UZEYCZDTISLFIS-GXFFZTMASA-N 1 0 307.350 1.851 20 5 DDBDRO CCOC(=O)c1cc(C(=O)N(C)[C@@H]2CC[NH2+]C2)cc([N+](=O)[O-])c1 ZINC000569691796 304374967 /nfs/dbraw/zinc/37/49/67/304374967.db2.gz RGOBPAMQAGMZMG-GFCCVEGCSA-N 1 0 321.333 1.205 20 5 DDBDRO CN(Cc1c[nH]cn1)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000569743895 304376586 /nfs/dbraw/zinc/37/65/86/304376586.db2.gz GJCPKNQVCDHQOF-UHFFFAOYSA-N 1 0 310.335 1.280 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000288543859 286381203 /nfs/dbraw/zinc/38/12/03/286381203.db2.gz ANSUSGGPVCILTN-MRXNPFEDSA-N 1 0 319.361 1.819 20 5 DDBDRO COc1ccc(CC(=O)N2CCC[C@@H](CC[NH3+])C2)cc1[N+](=O)[O-] ZINC000570716830 304420611 /nfs/dbraw/zinc/42/06/11/304420611.db2.gz AAYFWZTUQFMOGG-LBPRGKRZSA-N 1 0 321.377 1.733 20 5 DDBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000077359245 406986610 /nfs/dbraw/zinc/98/66/10/406986610.db2.gz UHQIYVSIPDLDPR-ZDUSSCGKSA-N 1 0 319.361 1.389 20 5 DDBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]CC1(O)CCOCC1 ZINC000084440061 407089488 /nfs/dbraw/zinc/08/94/88/407089488.db2.gz SEEZJHJCFSFBAL-UHFFFAOYSA-N 1 0 300.742 1.879 20 5 DDBDRO COC(=O)[C@H]1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000066832886 407260362 /nfs/dbraw/zinc/26/03/62/407260362.db2.gz JLMMPGPZUXHHML-LBPRGKRZSA-N 1 0 308.334 1.859 20 5 DDBDRO COCCCNC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000056196108 407208936 /nfs/dbraw/zinc/20/89/36/407208936.db2.gz UMJLKKMALZORAZ-RYUDHWBXSA-N 1 0 309.366 1.787 20 5 DDBDRO C[C@H]1C[C@@H](N(C)C(=O)COc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000123324416 407325616 /nfs/dbraw/zinc/32/56/16/407325616.db2.gz QWGILHCXAKEIEZ-STQMWFEESA-N 1 0 321.377 1.915 20 5 DDBDRO CC(=O)NC[C@@H]1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000067412547 407272941 /nfs/dbraw/zinc/27/29/41/407272941.db2.gz NSHJEQRPDLPIMG-AWEZNQCLSA-N 1 0 321.377 1.822 20 5 DDBDRO CC[NH+]1CCN(C[C@H](C)CNC(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000122487498 407302875 /nfs/dbraw/zinc/30/28/75/407302875.db2.gz USYKPTQJSFXTNJ-GFCCVEGCSA-N 1 0 324.381 1.191 20 5 DDBDRO COCCN1CCN(c2ncc([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC000122839566 407312316 /nfs/dbraw/zinc/31/23/16/407312316.db2.gz OVFKEZROYNORCL-JTQLQIEISA-N 1 0 314.773 1.800 20 5 DDBDRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cc(F)ccc1[N+](=O)[O-] ZINC000126131509 407405978 /nfs/dbraw/zinc/40/59/78/407405978.db2.gz IZKUHTCNYOHYDS-JTQLQIEISA-N 1 0 307.325 1.948 20 5 DDBDRO O=C(N[C@@H]1CC[NH2+]C1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000126445106 407414312 /nfs/dbraw/zinc/41/43/12/407414312.db2.gz YPKJVJUPNCDJDI-LLVKDONJSA-N 1 0 304.350 1.287 20 5 DDBDRO CN1CC[NH+]([C@@H]2CCCCN(c3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000127027037 407426053 /nfs/dbraw/zinc/42/60/53/407426053.db2.gz FXPCDCBJBWTJIZ-OAHLLOKOSA-N 1 0 319.409 1.596 20 5 DDBDRO COc1ccc(C[NH2+]C[C@H]2CCCS2(=O)=O)cc1[N+](=O)[O-] ZINC000127028571 407426116 /nfs/dbraw/zinc/42/61/16/407426116.db2.gz VNRRMUZBGKDUKS-LLVKDONJSA-N 1 0 314.363 1.270 20 5 DDBDRO Cc1c(C(=O)N2CC[C@H](C[NH3+])C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000178562346 407493755 /nfs/dbraw/zinc/49/37/55/407493755.db2.gz RDYKRKPAIGWLNH-SNVBAGLBSA-N 1 0 322.321 1.541 20 5 DDBDRO CNC(=O)CC[N@H+](C)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000170793080 407509962 /nfs/dbraw/zinc/50/99/62/407509962.db2.gz NCYPLSJJRICMBY-UHFFFAOYSA-N 1 0 322.365 1.300 20 5 DDBDRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000112917733 407444149 /nfs/dbraw/zinc/44/41/49/407444149.db2.gz VQEFANGUPPZSAW-ZDUSSCGKSA-N 1 0 320.393 1.351 20 5 DDBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@@](C)(C[NH3+])C1 ZINC000261674117 407573815 /nfs/dbraw/zinc/57/38/15/407573815.db2.gz JHVASLIZNCZIAG-NHYWBVRUSA-N 1 0 306.366 1.593 20 5 DDBDRO CCC(CC)[C@@H](CNc1ncc([N+](=O)[O-])cc1C(N)=O)[NH+](C)C ZINC000128238063 407513530 /nfs/dbraw/zinc/51/35/30/407513530.db2.gz QAKUPKHOPFRIGI-CYBMUJFWSA-N 1 0 323.397 1.867 20 5 DDBDRO COC(=O)[C@H](C)CN(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000114062592 407536343 /nfs/dbraw/zinc/53/63/43/407536343.db2.gz BXOCKCRSWAEZJM-LLVKDONJSA-N 1 0 323.349 1.583 20 5 DDBDRO COC(=O)[C@@H](C)C[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000114063109 407536580 /nfs/dbraw/zinc/53/65/80/407536580.db2.gz RIUHJVSKSCFNIJ-NSHDSACASA-N 1 0 323.349 1.664 20 5 DDBDRO CC(C)(C)[C@H](C[NH3+])NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000261596110 407544772 /nfs/dbraw/zinc/54/47/72/407544772.db2.gz AQYXHKIZXAMRRA-NSHDSACASA-N 1 0 301.368 1.247 20 5 DDBDRO Cc1cc([N+](=O)[O-])cnc1NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000271257745 407599577 /nfs/dbraw/zinc/59/95/77/407599577.db2.gz ALBJXMNCIBUMIF-GFCCVEGCSA-N 1 0 307.354 1.050 20 5 DDBDRO COc1cc(CN2CC[C@@](C)(C[NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000261817316 407625287 /nfs/dbraw/zinc/62/52/87/407625287.db2.gz XLFJLCYWLRJQDH-HNNXBMFYSA-N 1 0 309.366 1.783 20 5 DDBDRO CCCN(C(=O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CC[NH2+]C1 ZINC000178882205 407640243 /nfs/dbraw/zinc/64/02/43/407640243.db2.gz DRERGPPUJCSMET-CYBMUJFWSA-N 1 0 307.350 1.574 20 5 DDBDRO C[NH2+][C@H]1CCCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000261858412 407643083 /nfs/dbraw/zinc/64/30/83/407643083.db2.gz YZEFSEOLEQEHHR-SWLSCSKDSA-N 1 0 318.377 1.384 20 5 DDBDRO C[NH2+]C[C@@H]1CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000179005588 407687894 /nfs/dbraw/zinc/68/78/94/407687894.db2.gz ITQFIFJODLVINR-ZDUSSCGKSA-N 1 0 320.393 1.855 20 5 DDBDRO C[NH2+]C[C@H]1CCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000178999745 407689137 /nfs/dbraw/zinc/68/91/37/407689137.db2.gz IFWWHTJRJKQEKV-SNVBAGLBSA-N 1 0 311.313 1.181 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186541947 407697546 /nfs/dbraw/zinc/69/75/46/407697546.db2.gz GYXIVZNBJAZVGG-LBPRGKRZSA-N 1 0 319.361 1.717 20 5 DDBDRO COc1ccc(NC(=O)CN2CC[C@@](C)(C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000261901867 407662322 /nfs/dbraw/zinc/66/23/22/407662322.db2.gz WPZACWHGVZXYEA-HNNXBMFYSA-N 1 0 322.365 1.213 20 5 DDBDRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000186682371 407740386 /nfs/dbraw/zinc/74/03/86/407740386.db2.gz QIVSKJMPOUZIJN-HZMBPMFUSA-N 1 0 318.377 1.897 20 5 DDBDRO CC(C)(C)[C@H]([NH3+])C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000236682158 407750292 /nfs/dbraw/zinc/75/02/92/407750292.db2.gz QFZPLHUJHUADFZ-CQSZACIVSA-N 1 0 320.393 1.617 20 5 DDBDRO C[N@@H+]1CCC[C@H](CNC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000153195311 407776857 /nfs/dbraw/zinc/77/68/57/407776857.db2.gz XBZSQMVLVPEEKY-CQSZACIVSA-N 1 0 305.378 1.985 20 5 DDBDRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000186848839 407786560 /nfs/dbraw/zinc/78/65/60/407786560.db2.gz UCLIUAABAZTJSR-NEPJUHHUSA-N 1 0 306.366 1.145 20 5 DDBDRO C[C@H]1CCCN(C(=O)COc2ccc([N+](=O)[O-])cc2)[C@@H]1C[NH3+] ZINC000237697487 407835389 /nfs/dbraw/zinc/83/53/89/407835389.db2.gz GPIZCUKFDGTQSU-SMDDNHRTSA-N 1 0 307.350 1.559 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(NCCC[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000268034001 407862507 /nfs/dbraw/zinc/86/25/07/407862507.db2.gz LTRCVEVCIHXLKH-CQSZACIVSA-N 1 0 306.366 1.655 20 5 DDBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCC[C@H](C)[NH3+] ZINC000262539947 407863382 /nfs/dbraw/zinc/86/33/82/407863382.db2.gz RPYLWZLQUCXLNY-DTWKUNHWSA-N 1 0 315.757 1.869 20 5 DDBDRO [NH3+]CC1(C(=O)NCCNc2ccccc2[N+](=O)[O-])CCCC1 ZINC000238004650 407865839 /nfs/dbraw/zinc/86/58/39/407865839.db2.gz IZQGSWFWLPABKZ-UHFFFAOYSA-N 1 0 306.366 1.642 20 5 DDBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCCC[NH2+]1 ZINC000238030016 407873854 /nfs/dbraw/zinc/87/38/54/407873854.db2.gz UMTVETDCZDHXKP-LLVKDONJSA-N 1 0 309.391 1.945 20 5 DDBDRO CC[C@@H](C(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1)[NH+](C)C ZINC000153534329 407844884 /nfs/dbraw/zinc/84/48/84/407844884.db2.gz VVDYDNFKWMBSNU-LBPRGKRZSA-N 1 0 309.322 1.660 20 5 DDBDRO CC(C)(CCS(C)(=O)=O)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000174637697 407973164 /nfs/dbraw/zinc/97/31/64/407973164.db2.gz XHWSHIIBZSWJIS-UHFFFAOYSA-N 1 0 300.380 1.898 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000272428618 407914431 /nfs/dbraw/zinc/91/44/31/407914431.db2.gz HJCOHNICAFFRFT-CHWSQXEVSA-N 1 0 321.381 1.042 20 5 DDBDRO C[C@@H](O)CN1CCN(C(=O)c2csc([N+](=O)[O-])c2)C[C@@H]1C ZINC000174316989 407929433 /nfs/dbraw/zinc/92/94/33/407929433.db2.gz FAUWCGNHJAQGEY-VHSXEESVSA-N 1 0 313.379 1.183 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[NH2+][C@H](C)[C@H]1C ZINC000262786283 407929555 /nfs/dbraw/zinc/92/95/55/407929555.db2.gz QLKYESDILCDMDK-GHMZBOCLSA-N 1 0 313.379 1.274 20 5 DDBDRO CCc1n[nH]c(C(=O)N2CCCC[C@@H]2c2ncc[nH]2)c1[N+](=O)[O-] ZINC000188327433 407937893 /nfs/dbraw/zinc/93/78/93/407937893.db2.gz TWAPYGJYIHAMPY-SNVBAGLBSA-N 1 0 318.337 1.971 20 5 DDBDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNc1ncc([N+](=O)[O-])c(N)n1 ZINC000119079808 407989387 /nfs/dbraw/zinc/98/93/87/407989387.db2.gz XWHZHBWLBJNGKU-LLVKDONJSA-N 1 0 308.386 1.889 20 5 DDBDRO C[C@H]([NH2+][C@H](CC(N)=O)C1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000181934275 408057399 /nfs/dbraw/zinc/05/73/99/408057399.db2.gz GRWSKKQOZHZGRM-XHDPSFHLSA-N 1 0 321.377 1.916 20 5 DDBDRO CCn1c(CC[NH3+])nnc1Sc1ccc([N+](=O)[O-])c(C)n1 ZINC000268481190 408063927 /nfs/dbraw/zinc/06/39/27/408063927.db2.gz LJOBKCXSJVBJJU-UHFFFAOYSA-N 1 0 308.367 1.562 20 5 DDBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000121239887 408168498 /nfs/dbraw/zinc/16/84/98/408168498.db2.gz KRXSLTVHWKYVIE-STQMWFEESA-N 1 0 321.377 1.772 20 5 DDBDRO CCN1CCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)CC1=O ZINC000190164770 408179212 /nfs/dbraw/zinc/17/92/12/408179212.db2.gz FAGMHKFSRSAHSF-UHFFFAOYSA-N 1 0 321.377 1.918 20 5 DDBDRO C[NH2+][C@H]1CCCN(C(=O)CCn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000151034739 408244987 /nfs/dbraw/zinc/24/49/87/408244987.db2.gz DREASAIPKRTSRM-LBPRGKRZSA-N 1 0 309.370 1.009 20 5 DDBDRO CCCCNC(=O)[C@@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176221405 408315192 /nfs/dbraw/zinc/31/51/92/408315192.db2.gz CHWIDDVXVJJSMS-CYBMUJFWSA-N 1 0 323.397 1.420 20 5 DDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H](C)[C@H](CO)C1 ZINC000190850245 408331188 /nfs/dbraw/zinc/33/11/88/408331188.db2.gz MWQTVAKGOCOSDS-UTUOFQBUSA-N 1 0 307.350 1.482 20 5 DDBDRO C[N@@H+]1CC[C@H](CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000157425289 408304355 /nfs/dbraw/zinc/30/43/55/408304355.db2.gz JCJWWMZMKKWBKJ-LLVKDONJSA-N 1 0 316.361 1.687 20 5 DDBDRO NC(=O)CC[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccccc1 ZINC000176199582 408306022 /nfs/dbraw/zinc/30/60/22/408306022.db2.gz PSDZWBUNXSVSHC-UHFFFAOYSA-N 1 0 317.349 1.169 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000246627080 408306076 /nfs/dbraw/zinc/30/60/76/408306076.db2.gz AQCXSAHEEAAVIC-MWLCHTKSSA-N 1 0 322.287 1.427 20 5 DDBDRO COC(=O)[C@H](O)C1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000135360171 162101227 /nfs/dbraw/zinc/10/12/27/162101227.db2.gz QNBQSPDTTMYWKJ-CQSZACIVSA-N 1 0 308.334 1.341 20 5 DDBDRO CCc1n[nH]c(C(=O)NCCC2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000171806818 162242759 /nfs/dbraw/zinc/24/27/59/162242759.db2.gz VJOWCGPBTXIDKO-UHFFFAOYSA-N 1 0 309.370 1.342 20 5 DDBDRO COc1cc[nH+]c(N2CCN(c3ncccc3[N+](=O)[O-])CC2)c1 ZINC000264085164 408362727 /nfs/dbraw/zinc/36/27/27/408362727.db2.gz IOFGYLBGMCFYFH-UHFFFAOYSA-N 1 0 315.333 1.720 20 5 DDBDRO CN([C@H]1CCCN(C)C1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000173406618 162337304 /nfs/dbraw/zinc/33/73/04/162337304.db2.gz JJFQLORPXDGJJN-VIFPVBQESA-N 1 0 319.408 1.371 20 5 DDBDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000173541958 162347842 /nfs/dbraw/zinc/34/78/42/162347842.db2.gz GJWRKIAQVCEZEK-HNNXBMFYSA-N 1 0 321.377 1.364 20 5 DDBDRO COc1cc(C(=O)N2CCC[C@@H]([NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000191327491 408406650 /nfs/dbraw/zinc/40/66/50/408406650.db2.gz SJUWGVSILLSJSP-SECBINFHSA-N 1 0 309.322 1.175 20 5 DDBDRO CC(C)[N@@H+]1CCC[C@@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000274466377 408416660 /nfs/dbraw/zinc/41/66/60/408416660.db2.gz KRKSQUOFAIIPAE-GFCCVEGCSA-N 1 0 309.370 1.170 20 5 DDBDRO CC(C)[N@@H+]1CCC[C@H](NC(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000274505627 408432051 /nfs/dbraw/zinc/43/20/51/408432051.db2.gz PZGDAKWDDVMJFT-LBPRGKRZSA-N 1 0 306.366 1.780 20 5 DDBDRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000264411344 408478831 /nfs/dbraw/zinc/47/88/31/408478831.db2.gz HYLDGYPBYYNHRL-JTQLQIEISA-N 1 0 312.395 1.022 20 5 DDBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000247523648 408486906 /nfs/dbraw/zinc/48/69/06/408486906.db2.gz WPZVXRQXTAEJLT-IUODEOHRSA-N 1 0 321.377 1.772 20 5 DDBDRO C[C@@H]1C[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)C[N@@H+]1C1CC1 ZINC000177131096 408528142 /nfs/dbraw/zinc/52/81/42/408528142.db2.gz IPPDAVNWHXXDAH-DGCLKSJQSA-N 1 0 303.362 1.879 20 5 DDBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000176866516 408461648 /nfs/dbraw/zinc/46/16/48/408461648.db2.gz FGQZCAKNIMSQHN-JQWIXIFHSA-N 1 0 306.366 1.589 20 5 DDBDRO COc1ccc(C[N@H+](C)CCn2ccc([N+](=O)[O-])n2)cc1O ZINC000177214866 408555622 /nfs/dbraw/zinc/55/56/22/408555622.db2.gz IKPAEQBGQIHZKJ-UHFFFAOYSA-N 1 0 306.322 1.638 20 5 DDBDRO CN1CC[NH+](CCC(C)(C)NC(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000184180259 408564098 /nfs/dbraw/zinc/56/40/98/408564098.db2.gz XKPJHOBJANNHGV-UHFFFAOYSA-N 1 0 324.381 1.334 20 5 DDBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)[C@@H]1OC ZINC000274944701 408571105 /nfs/dbraw/zinc/57/11/05/408571105.db2.gz RCYSNJQMHZMXQC-GLQYFDAESA-N 1 0 310.350 1.885 20 5 DDBDRO [NH3+]C1(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000160909074 408536729 /nfs/dbraw/zinc/53/67/29/408536729.db2.gz ARDDCQOWASYMHB-UHFFFAOYSA-N 1 0 305.334 1.456 20 5 DDBDRO C[N@@H+]1CC[C@@H](CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000264697663 408543817 /nfs/dbraw/zinc/54/38/17/408543817.db2.gz SQUZSEYDZLHAHP-JTQLQIEISA-N 1 0 302.334 1.758 20 5 DDBDRO C[C@@H]1CN(CCCOc2ccc([N+](=O)[O-])cc2)C[C@@H](CO)O1 ZINC000248943490 408665824 /nfs/dbraw/zinc/66/58/24/408665824.db2.gz CZQCZPOLZLBHOQ-DOMZBBRYSA-N 1 0 310.350 1.445 20 5 DDBDRO Cc1ccc(C)c(S(=O)(=O)N[C@H](C[NH3+])C2CC2)c1[N+](=O)[O-] ZINC000193294241 408709344 /nfs/dbraw/zinc/70/93/44/408709344.db2.gz TYIUNYNLYPACMT-LLVKDONJSA-N 1 0 313.379 1.227 20 5 DDBDRO O=C1CCCN1[C@@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000270858202 408711718 /nfs/dbraw/zinc/71/17/18/408711718.db2.gz HTWVJMCUVITGLF-CQSZACIVSA-N 1 0 319.361 1.670 20 5 DDBDRO COc1ccc(OCC[NH2+][C@H](C)[C@@H]2CCOC2)c([N+](=O)[O-])c1 ZINC000162659154 408724659 /nfs/dbraw/zinc/72/46/59/408724659.db2.gz PLGQJVZHMPQJNP-VXGBXAGGSA-N 1 0 310.350 1.997 20 5 DDBDRO C[NH+](C)C/C=C/C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000265640993 408726573 /nfs/dbraw/zinc/72/65/73/408726573.db2.gz LYHCITYKEHPGOY-QPJJXVBHSA-N 1 0 318.377 1.361 20 5 DDBDRO COc1cc(C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000185037470 408741974 /nfs/dbraw/zinc/74/19/74/408741974.db2.gz MUMKBEYOYZSZAO-TUAOUCFPSA-N 1 0 305.334 1.413 20 5 DDBDRO NC(=O)[C@@H]1CCCC[C@H]1[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000184790826 408691215 /nfs/dbraw/zinc/69/12/15/408691215.db2.gz KXIZSDHCPFEATD-ZIAGYGMSSA-N 1 0 307.350 1.607 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)c1 ZINC000182036869 162809800 /nfs/dbraw/zinc/80/98/00/162809800.db2.gz JUMMQQJTPOKIQI-MJBXVCDLSA-N 1 0 306.366 1.729 20 5 DDBDRO C[NH+](C)CCN(C(=O)Cn1cc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000194707235 408793548 /nfs/dbraw/zinc/79/35/48/408793548.db2.gz FUZWTQFTBVPCLI-UHFFFAOYSA-N 1 0 323.397 1.514 20 5 DDBDRO C[C@@H](C[NH+]1CCCCCC1)NC(=O)c1c([N+](=O)[O-])cnn1C ZINC000185429595 408806282 /nfs/dbraw/zinc/80/62/82/408806282.db2.gz QBFCPVRHJFQZFI-NSHDSACASA-N 1 0 309.370 1.323 20 5 DDBDRO CN(CC(=O)N1C[C@H]2CC[C@H]([NH3+])[C@@H]2C1)c1ccccc1[N+](=O)[O-] ZINC000185175537 408774768 /nfs/dbraw/zinc/77/47/68/408774768.db2.gz LVEHTOYLEDQQOZ-UPJWGTAASA-N 1 0 318.377 1.227 20 5 DDBDRO CC(C)[N@@H+]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000276191481 408824709 /nfs/dbraw/zinc/82/47/09/408824709.db2.gz IHQNGUUENJMOSD-NSHDSACASA-N 1 0 306.366 1.780 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000285754062 408856749 /nfs/dbraw/zinc/85/67/49/408856749.db2.gz KCJBPZNPLNBSJG-DGCLKSJQSA-N 1 0 321.381 1.185 20 5 DDBDRO Cc1c(C(=O)N2CCO[C@H]3CC[N@@H+](C)C[C@H]32)cccc1[N+](=O)[O-] ZINC000285953354 408895858 /nfs/dbraw/zinc/89/58/58/408895858.db2.gz WHZJGQCERZADPG-CABCVRRESA-N 1 0 319.361 1.448 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1CCOC[C@@H]1C ZINC000277297250 408914398 /nfs/dbraw/zinc/91/43/98/408914398.db2.gz CFCPFXQQBDEHCD-CMPLNLGQSA-N 1 0 323.349 1.557 20 5 DDBDRO COc1cc(C(=O)NCC[NH+]2CCCC2)cc([N+](=O)[O-])c1C ZINC000191285703 163180108 /nfs/dbraw/zinc/18/01/08/163180108.db2.gz BDEBCJZMHYEHSE-UHFFFAOYSA-N 1 0 307.350 1.737 20 5 DDBDRO Cc1cc(S(=O)(=O)NCC[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000191856912 163205340 /nfs/dbraw/zinc/20/53/40/163205340.db2.gz RMQAGAOOCYZALM-UHFFFAOYSA-N 1 0 313.379 1.277 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)CCC[NH+]1CCCC1 ZINC000281813167 408933913 /nfs/dbraw/zinc/93/39/13/408933913.db2.gz UYGKZVXKSRTCCQ-UHFFFAOYSA-N 1 0 323.397 1.434 20 5 DDBDRO COc1cc(C(=O)N[C@H]2CCC[NH2+][C@H]2C)cc([N+](=O)[O-])c1OC ZINC000277447660 408943108 /nfs/dbraw/zinc/94/31/08/408943108.db2.gz FZIBFTQUCFOWML-ONGXEEELSA-N 1 0 323.349 1.482 20 5 DDBDRO Nc1ccc(C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)cc1[N+](=O)[O-] ZINC000277585744 408971959 /nfs/dbraw/zinc/97/19/59/408971959.db2.gz RXIFLFXTBKHNHI-ZDUSSCGKSA-N 1 0 318.377 1.924 20 5 DDBDRO C[NH+](C)CCCNS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000293203466 409067438 /nfs/dbraw/zinc/06/74/38/409067438.db2.gz ZMTYFTBJBDTMSP-UHFFFAOYSA-N 1 0 315.395 1.008 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@H]2CCO[C@@H](C(F)(F)F)C2)c1 ZINC000287311940 409017284 /nfs/dbraw/zinc/01/72/84/409017284.db2.gz CYYSMZCOMLRFQY-WCBMZHEXSA-N 1 0 308.260 1.491 20 5 DDBDRO CSC[C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000292297393 409019713 /nfs/dbraw/zinc/01/97/13/409019713.db2.gz CXSYZMMMOCSARM-GFCCVEGCSA-N 1 0 311.407 1.832 20 5 DDBDRO COc1ccc(OCC[N@@H+]2CC[C@H](O)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000292309047 409021738 /nfs/dbraw/zinc/02/17/38/409021738.db2.gz DROUYNUUQQKJQW-RYUDHWBXSA-N 1 0 310.350 1.827 20 5 DDBDRO Cc1cc(C(=O)NCC2(N3CCOCC3)CC2)cc([N+](=O)[O-])c1 ZINC000277906167 409032876 /nfs/dbraw/zinc/03/28/76/409032876.db2.gz MFOMPFONHJMYHA-UHFFFAOYSA-N 1 0 319.361 1.498 20 5 DDBDRO Nc1c(C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc(F)cc1[N+](=O)[O-] ZINC000293296855 409084455 /nfs/dbraw/zinc/08/44/55/409084455.db2.gz HNYBXAVSYOSSLP-KCJUWKMLSA-N 1 0 308.313 1.140 20 5 DDBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000278953143 409119627 /nfs/dbraw/zinc/11/96/27/409119627.db2.gz HMFMWKNBXVUZCI-LLVKDONJSA-N 1 0 315.333 1.325 20 5 DDBDRO C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000293638749 409152548 /nfs/dbraw/zinc/15/25/48/409152548.db2.gz JMTSGVJSMPYBGP-BXUZGUMPSA-N 1 0 307.350 1.122 20 5 DDBDRO CC(C)(CCC[NH3+])NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000293690975 409161559 /nfs/dbraw/zinc/16/15/59/409161559.db2.gz PATXRYWYGDJITP-UHFFFAOYSA-N 1 0 305.338 1.718 20 5 DDBDRO CC(C)[C@@](C)([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000289356419 409253858 /nfs/dbraw/zinc/25/38/58/409253858.db2.gz NQPWYWBVMPDAAG-OAHLLOKOSA-N 1 0 322.365 1.047 20 5 DDBDRO CN(CC1CC[NH+](C)CC1)C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000284113185 409278124 /nfs/dbraw/zinc/27/81/24/409278124.db2.gz UMWBOVJGYUUNMH-UHFFFAOYSA-N 1 0 324.356 1.730 20 5 DDBDRO CN(CCc1cccc([N+](=O)[O-])c1)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000289447478 409274116 /nfs/dbraw/zinc/27/41/16/409274116.db2.gz ULJVSGFOCCMMBA-MRXNPFEDSA-N 1 0 307.394 1.524 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H]1CCOC1(C)C ZINC000295166920 409354383 /nfs/dbraw/zinc/35/43/83/409354383.db2.gz GALSIHFCGARVGU-ZDUSSCGKSA-N 1 0 307.350 1.999 20 5 DDBDRO O=[N+]([O-])c1c(NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nc2sccn21 ZINC000316905080 164024576 /nfs/dbraw/zinc/02/45/76/164024576.db2.gz XYHZFJRXEWLBRM-NXEZZACHSA-N 1 0 323.378 1.579 20 5 DDBDRO CN1CC[N@H+](C)C[C@H]1CNc1ccnc2c1cccc2[N+](=O)[O-] ZINC000322079788 164046068 /nfs/dbraw/zinc/04/60/68/164046068.db2.gz RLLRZYRAVVMPMR-GFCCVEGCSA-N 1 0 315.377 1.801 20 5 DDBDRO CC[NH+](CC)CCNc1nc(C)cc(C(=O)OC)c1[N+](=O)[O-] ZINC000285561896 409489853 /nfs/dbraw/zinc/48/98/53/409489853.db2.gz JGEPXRIJAJIEJG-UHFFFAOYSA-N 1 0 310.354 1.839 20 5 DDBDRO CC1CC[NH+](C[C@H](O)CNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000303981670 409555345 /nfs/dbraw/zinc/55/53/45/409555345.db2.gz GAOBLSSNNSOKOZ-OAHLLOKOSA-N 1 0 321.377 1.417 20 5 DDBDRO CC[N@H+](CCNc1nc(C)cc(C(=O)OC)c1[N+](=O)[O-])C(C)C ZINC000342101258 409559675 /nfs/dbraw/zinc/55/96/75/409559675.db2.gz WXGIHMBBZJEXIG-UHFFFAOYSA-N 1 0 324.381 2.227 20 5 DDBDRO CC(C)[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C[C@@H](C)O ZINC000304000676 409562827 /nfs/dbraw/zinc/56/28/27/409562827.db2.gz RCGKAGFNSRCILD-GFCCVEGCSA-N 1 0 321.377 1.575 20 5 DDBDRO CN(C)C(=O)NCC[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000348924734 409590575 /nfs/dbraw/zinc/59/05/75/409590575.db2.gz YJVJXLLZSDCOOK-UHFFFAOYSA-N 1 0 310.354 1.177 20 5 DDBDRO C[C@H]1CC[N@H+](C)CCN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000354007495 409595728 /nfs/dbraw/zinc/59/57/28/409595728.db2.gz QDQWECMOTXLDPT-LBPRGKRZSA-N 1 0 307.350 1.526 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@@H]([NH3+])C1 ZINC000346086999 409770207 /nfs/dbraw/zinc/77/02/07/409770207.db2.gz VBSVQUJNWGEWOK-LLVKDONJSA-N 1 0 322.365 1.355 20 5 DDBDRO CS[C@H]1CN(c2cccc(C(N)=O)c2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000342699382 409824538 /nfs/dbraw/zinc/82/45/38/409824538.db2.gz IFBTZDNRDDHWCZ-RYUDHWBXSA-N 1 0 324.406 1.176 20 5 DDBDRO CC[C@@H](C)[NH+]1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000297123774 409812767 /nfs/dbraw/zinc/81/27/67/409812767.db2.gz YVBCXUMBMLDEEI-LLVKDONJSA-N 1 0 306.366 1.733 20 5 DDBDRO CCc1n[nH]c(C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000346144005 409818533 /nfs/dbraw/zinc/81/85/33/409818533.db2.gz UCIWFUGLJSCOKH-GHMZBOCLSA-N 1 0 323.397 1.873 20 5 DDBDRO CCN(CCC[NH+]1CCCC1)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000357122264 409889823 /nfs/dbraw/zinc/88/98/23/409889823.db2.gz ZIWWYEBOUCPJMC-UHFFFAOYSA-N 1 0 308.382 1.881 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2CCC[N@H+](C)[C@H]2C)n1 ZINC000342829663 409931761 /nfs/dbraw/zinc/93/17/61/409931761.db2.gz FDHJVJSZMMMTSG-UWVGGRQHSA-N 1 0 308.338 1.671 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NCCNc1cc[nH+]cc1 ZINC000346346541 409932042 /nfs/dbraw/zinc/93/20/42/409932042.db2.gz IKAOJXHOWXQQPQ-UHFFFAOYSA-N 1 0 315.333 1.954 20 5 DDBDRO Cc1n[nH]c(C(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000354665354 410001624 /nfs/dbraw/zinc/00/16/24/410001624.db2.gz QLWMGJWPHVGUCC-ZJUUUORDSA-N 1 0 309.370 1.619 20 5 DDBDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000332238816 410003283 /nfs/dbraw/zinc/00/32/83/410003283.db2.gz UEXCPKNCNOOZAN-VXGBXAGGSA-N 1 0 321.377 1.986 20 5 DDBDRO CC[N@@H+]1C[C@H](C)N(c2nccc(C(N)=O)c2[N+](=O)[O-])C[C@@H]1C ZINC000357460897 410052321 /nfs/dbraw/zinc/05/23/21/410052321.db2.gz RRFGCWKBNDADCO-UWVGGRQHSA-N 1 0 307.354 1.008 20 5 DDBDRO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])n1C)[N@@H+]1CCCC[C@H]1C ZINC000343076668 410125418 /nfs/dbraw/zinc/12/54/18/410125418.db2.gz NHECTAVUUKKFOV-VXGBXAGGSA-N 1 0 308.382 1.926 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000351848699 410284920 /nfs/dbraw/zinc/28/49/20/410284920.db2.gz DVMIFHOKVMUKBL-MNOVXSKESA-N 1 0 322.365 1.211 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000351860634 410298157 /nfs/dbraw/zinc/29/81/57/410298157.db2.gz GXRSMCQNTIQCFS-VXGBXAGGSA-N 1 0 306.366 1.511 20 5 DDBDRO C[C@H]([NH3+])[C@H]1CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000351863122 410300208 /nfs/dbraw/zinc/30/02/08/410300208.db2.gz RVYTWQJRFSMWHJ-AAEUAGOBSA-N 1 0 318.377 1.153 20 5 DDBDRO Cc1cc(NCC[NH+]2CCC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000339702195 410400469 /nfs/dbraw/zinc/40/04/69/410400469.db2.gz UHMPQFKMSUJBSK-UHFFFAOYSA-N 1 0 313.361 1.900 20 5 DDBDRO C[C@H]1[C@@H](NC(=O)CN(C)c2ccccc2[N+](=O)[O-])CCC[N@@H+]1C ZINC000343472889 410479536 /nfs/dbraw/zinc/47/95/36/410479536.db2.gz ZGDWPQBAXGHDIO-STQMWFEESA-N 1 0 320.393 1.630 20 5 DDBDRO CC1=CC[N@H+](CCNC(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000355306658 410431288 /nfs/dbraw/zinc/43/12/88/410431288.db2.gz ATBXZBJMVKNANW-UHFFFAOYSA-N 1 0 319.361 1.742 20 5 DDBDRO Cc1sc(C(=O)NC[C@@](C)(O)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000352124956 410499105 /nfs/dbraw/zinc/49/91/05/410499105.db2.gz CBUSVEKGBDTYKD-ZDUSSCGKSA-N 1 0 315.395 1.397 20 5 DDBDRO [NH3+]CC1CCC(CNC(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000343637032 410584819 /nfs/dbraw/zinc/58/48/19/410584819.db2.gz ZBWMSCZQOSBKMX-UHFFFAOYSA-N 1 0 321.377 1.855 20 5 DDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000301449454 410724360 /nfs/dbraw/zinc/72/43/60/410724360.db2.gz LALNLNBCNSGZNK-CYBMUJFWSA-N 1 0 316.361 1.405 20 5 DDBDRO Cc1n[nH]c(C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)c1[N+](=O)[O-] ZINC000353068158 410765464 /nfs/dbraw/zinc/76/54/64/410765464.db2.gz QMQOSLPKSVOLQB-NSHDSACASA-N 1 0 307.354 1.231 20 5 DDBDRO C[N@@H+]1CCC[C@H]1C(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000359628210 410781033 /nfs/dbraw/zinc/78/10/33/410781033.db2.gz ZITSRWYQJGBUFR-ZDUSSCGKSA-N 1 0 305.334 1.410 20 5 DDBDRO CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1N)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000347928160 410795316 /nfs/dbraw/zinc/79/53/16/410795316.db2.gz UUJBQVVWBLMHSQ-NSHDSACASA-N 1 0 322.340 1.625 20 5 DDBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000330612442 410827017 /nfs/dbraw/zinc/82/70/17/410827017.db2.gz QVYINUJPTYCPJK-VXGBXAGGSA-N 1 0 306.366 1.558 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H](C)[C@@H](O)C1 ZINC000330652072 410849731 /nfs/dbraw/zinc/84/97/31/410849731.db2.gz KLMZZELQQXHDAC-DOMZBBRYSA-N 1 0 321.377 1.935 20 5 DDBDRO Cc1ccc(S(=O)(=O)N2C[C@H](C)[NH2+]C[C@H]2C)c([N+](=O)[O-])c1 ZINC000353488366 411025453 /nfs/dbraw/zinc/02/54/53/411025453.db2.gz MUDZYEGYQLSBTI-WDEREUQCSA-N 1 0 313.379 1.274 20 5 DDBDRO CC[N@H+](C)CCN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353494859 411029902 /nfs/dbraw/zinc/02/99/02/411029902.db2.gz GHELZFQKHSRGEV-OAHLLOKOSA-N 1 0 317.393 1.959 20 5 DDBDRO C[N@H+](CCc1ccccc1O)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000344230935 411042707 /nfs/dbraw/zinc/04/27/07/411042707.db2.gz YYCHRQHRAPDORL-AWEZNQCLSA-N 1 0 320.349 1.032 20 5 DDBDRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(F)cc1[N+](=O)[O-] ZINC000132503975 196260568 /nfs/dbraw/zinc/26/05/68/196260568.db2.gz BHGAEKZUNHXSMU-SNVBAGLBSA-N 1 0 307.325 1.948 20 5 DDBDRO CNc1nccc(C(=O)NC[C@@H](C)Cn2ccnc2)c1[N+](=O)[O-] ZINC000520836608 416979248 /nfs/dbraw/zinc/97/92/48/416979248.db2.gz UFMKKSRVDGAJPO-SNVBAGLBSA-N 1 0 318.337 1.294 20 5 DDBDRO [NH3+]C1(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCC1 ZINC000295812847 225266503 /nfs/dbraw/zinc/26/65/03/225266503.db2.gz UECKHOWAVJCWSZ-UHFFFAOYSA-N 1 0 304.350 1.125 20 5 DDBDRO O=C(NCCC[NH2+]C1CCCCC1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000419925553 226397516 /nfs/dbraw/zinc/39/75/16/226397516.db2.gz SZNKCXQHXNFHGL-UHFFFAOYSA-N 1 0 322.365 1.738 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC2CC[NH2+]CC2)c1 ZINC000420406814 226485548 /nfs/dbraw/zinc/48/55/48/226485548.db2.gz SFDXFSAGTCBXBQ-UHFFFAOYSA-N 1 0 313.379 1.242 20 5 DDBDRO C[C@H]1COCCN1CC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000374173167 418500173 /nfs/dbraw/zinc/50/01/73/418500173.db2.gz HETUWDNFOSHJLS-ZDUSSCGKSA-N 1 0 323.397 1.149 20 5 DDBDRO COC(=O)[C@@H]1CN(C/C=C\c2ccccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000255266662 418566585 /nfs/dbraw/zinc/56/65/85/418566585.db2.gz YIJRDTLZGKRODX-BRDDXIKOSA-N 1 0 320.345 1.870 20 5 DDBDRO CC[NH+](CC)CCO[C@@H]1CCN(c2ccncc2[N+](=O)[O-])C1 ZINC000360986570 418560052 /nfs/dbraw/zinc/56/00/52/418560052.db2.gz ULRBQYCNZNONIT-CYBMUJFWSA-N 1 0 308.382 1.927 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N(CC[NH+](C)C)CC(C)C)n1 ZINC000191804023 222110247 /nfs/dbraw/zinc/11/02/47/222110247.db2.gz KMFBQOVHXKOUQN-UHFFFAOYSA-N 1 0 311.386 1.471 20 5 DDBDRO O=C(NCc1ccc2c(c1)C[NH2+]C2)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000367648103 418619372 /nfs/dbraw/zinc/61/93/72/418619372.db2.gz FDLXEJHPMNIKTN-UHFFFAOYSA-N 1 0 313.313 1.834 20 5 DDBDRO COC(=O)C[C@@]1([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CCOC1 ZINC000361740267 418703808 /nfs/dbraw/zinc/70/38/08/418703808.db2.gz HDMAIKLHBFDECB-LEXSJLIMSA-N 1 0 320.345 1.920 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000368216278 418704423 /nfs/dbraw/zinc/70/44/23/418704423.db2.gz RCUCUXWXLVVIEF-UWVGGRQHSA-N 1 0 310.329 1.091 20 5 DDBDRO COCc1cccc(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000390921667 418756167 /nfs/dbraw/zinc/75/61/67/418756167.db2.gz HSEXDCKVRNJPID-OAHLLOKOSA-N 1 0 320.349 1.088 20 5 DDBDRO Cc1cc(NC[C@@H]2CCC[C@@H]2[NH+]2CCOCC2)ncc1[N+](=O)[O-] ZINC000364885452 418821849 /nfs/dbraw/zinc/82/18/49/418821849.db2.gz CZKVHJPVTYOSEG-KBPBESRZSA-N 1 0 320.393 2.211 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1CN1CCC[N@@H+]([C@@H](C)CO)CC1 ZINC000364922016 418822220 /nfs/dbraw/zinc/82/22/20/418822220.db2.gz LUSBLPVFAFVWCZ-AWEZNQCLSA-N 1 0 307.394 1.792 20 5 DDBDRO C[C@@H]1CC[S@@](=O)CCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000365477778 418865814 /nfs/dbraw/zinc/86/58/14/418865814.db2.gz RBDVPGUKSYPYJM-DQCMRGAYSA-N 1 0 312.391 1.471 20 5 DDBDRO O=C1NC[C@@H]2C[N@H+](C/C=C/c3ccccc3[N+](=O)[O-])CC[C@@H]12 ZINC000365655246 418890149 /nfs/dbraw/zinc/89/01/49/418890149.db2.gz IHTQXHIZRLQKBK-KBUVRSHFSA-N 1 0 301.346 1.676 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@]3(CCC[C@@H]3[NH3+])C2)c1 ZINC000372779225 418901655 /nfs/dbraw/zinc/90/16/55/418901655.db2.gz DSFVNFSJBXJPRP-HOCLYGCPSA-N 1 0 319.361 1.947 20 5 DDBDRO C[C@@H]1C[C@@H](C)N(C(=O)COc2cccc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000424053129 228223222 /nfs/dbraw/zinc/22/32/22/228223222.db2.gz NZKZJOLURHMNLS-JHJVBQTASA-N 1 0 321.377 1.805 20 5 DDBDRO C[C@H](C[NH3+])NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000418086988 419522991 /nfs/dbraw/zinc/52/29/91/419522991.db2.gz FLTDLQPWRVBODH-SSDOTTSWSA-N 1 0 320.271 1.760 20 5 DDBDRO C[C@H](NC(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000418232972 419633510 /nfs/dbraw/zinc/63/35/10/419633510.db2.gz NEJCUJWXSBSLKU-IACUBPJLSA-N 1 0 318.377 1.907 20 5 DDBDRO O=C(C[C@H]1CCC[NH2+]CC1)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000427358905 228638407 /nfs/dbraw/zinc/63/84/07/228638407.db2.gz LGKVWFOOSGLVQY-ZDUSSCGKSA-N 1 0 320.393 1.903 20 5 DDBDRO C[NH2+]C[C@H](C)CNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000418369074 419746651 /nfs/dbraw/zinc/74/66/51/419746651.db2.gz SVLIIZFHNYQCHR-NSHDSACASA-N 1 0 308.382 1.985 20 5 DDBDRO O=C(N[C@@H]1CCC[NH2+]C1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000418382594 419760226 /nfs/dbraw/zinc/76/02/26/419760226.db2.gz MKSJVPPWHMCFIQ-CYBMUJFWSA-N 1 0 304.350 1.415 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000428044612 419799900 /nfs/dbraw/zinc/79/99/00/419799900.db2.gz UNYRWTAGHGSOIQ-OCCSQVGLSA-N 1 0 318.377 1.526 20 5 DDBDRO Cn1cc(CN[C@@H]2CCC[NH2+]C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000414867866 419849827 /nfs/dbraw/zinc/84/98/27/419849827.db2.gz OUXWAFUVHSNHOF-CQSZACIVSA-N 1 0 315.377 1.837 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430943483 228985422 /nfs/dbraw/zinc/98/54/22/228985422.db2.gz PERMEKFCFZAOPQ-NEPJUHHUSA-N 1 0 306.366 1.511 20 5 DDBDRO Cc1nn(C)c(C(=O)NCC2([NH+](C)C)CCCC2)c1[N+](=O)[O-] ZINC000299264495 229015982 /nfs/dbraw/zinc/01/59/82/229015982.db2.gz VKOSJJRQOQUCAB-UHFFFAOYSA-N 1 0 309.370 1.241 20 5 DDBDRO C[C@H]([NH3+])[C@H](C)NC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000418690639 419935574 /nfs/dbraw/zinc/93/55/74/419935574.db2.gz DAOOZBLJNNOKQW-UWVGGRQHSA-N 1 0 308.338 1.103 20 5 DDBDRO CC(C)([NH2+]C[C@H](O)CN1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000429229195 419990652 /nfs/dbraw/zinc/99/06/52/419990652.db2.gz GZMNJNOSQJZKMA-ZDUSSCGKSA-N 1 0 323.393 1.113 20 5 DDBDRO COc1cc(C(=O)N2C[C@H](C[NH3+])C[C@H]2C)cc([N+](=O)[O-])c1C ZINC000423462093 420055123 /nfs/dbraw/zinc/05/51/23/420055123.db2.gz KHJRFSCKWPKUSE-KOLCDFICSA-N 1 0 307.350 1.721 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)C1(C[NH3+])CCCC1 ZINC000429969744 420064562 /nfs/dbraw/zinc/06/45/62/420064562.db2.gz IPSPNALUFMXOBQ-UHFFFAOYSA-N 1 0 307.350 1.739 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000415505448 420094043 /nfs/dbraw/zinc/09/40/43/420094043.db2.gz QGPROAYXQNJRFI-VHSXEESVSA-N 1 0 308.338 1.804 20 5 DDBDRO COc1cc(C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)cc([N+](=O)[O-])c1C ZINC000423673797 420122661 /nfs/dbraw/zinc/12/26/61/420122661.db2.gz AKFRITHVQCCXMR-WCQYABFASA-N 1 0 319.361 1.736 20 5 DDBDRO CCOC(=O)c1ccnc(N(C)C2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC000420141741 420131313 /nfs/dbraw/zinc/13/13/13/420131313.db2.gz SCPXHRXODCBAFT-UHFFFAOYSA-N 1 0 308.338 1.355 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000423701665 420132708 /nfs/dbraw/zinc/13/27/08/420132708.db2.gz XAJLZIPXIOVPKL-SMDDNHRTSA-N 1 0 319.361 1.818 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@@H]1C[NH3+] ZINC000430550977 420132953 /nfs/dbraw/zinc/13/29/53/420132953.db2.gz HHQNXUWWDBOFFY-CYBMUJFWSA-N 1 0 306.366 1.655 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@@H]1C[NH3+] ZINC000430566199 420141170 /nfs/dbraw/zinc/14/11/70/420141170.db2.gz BYERNOAKBZJZIY-GFCCVEGCSA-N 1 0 322.365 1.355 20 5 DDBDRO CO[C@@H](C[NH3+])CC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423717205 420141710 /nfs/dbraw/zinc/14/17/10/420141710.db2.gz ACDKRZALOQVZRB-CYBMUJFWSA-N 1 0 307.350 1.450 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000423593173 420092399 /nfs/dbraw/zinc/09/23/99/420092399.db2.gz MKUZLTGVQUTUTD-GHMZBOCLSA-N 1 0 307.350 1.993 20 5 DDBDRO COC[C@]1(CNC(=O)Nc2ccc([N+](=O)[O-])cc2C)CCC[NH2+]1 ZINC000415504890 420093279 /nfs/dbraw/zinc/09/32/79/420093279.db2.gz PTOFBZBANQNSSL-OAHLLOKOSA-N 1 0 322.365 1.793 20 5 DDBDRO Cc1c(CNC(=O)COC2CCC([NH3+])CC2)cccc1[N+](=O)[O-] ZINC000423812857 420201861 /nfs/dbraw/zinc/20/18/61/420201861.db2.gz ROPADLUYJKTJCP-UHFFFAOYSA-N 1 0 321.377 1.806 20 5 DDBDRO C[C@@H]1[C@H](C)[NH2+]CCN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000420317528 420203538 /nfs/dbraw/zinc/20/35/38/420203538.db2.gz UXMQSWMIHQERND-NWDGAFQWSA-N 1 0 306.366 1.606 20 5 DDBDRO CC1(C)CCC[NH2+][C@H]1C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000423729227 420146627 /nfs/dbraw/zinc/14/66/27/420146627.db2.gz UQMTVWQWNWKYTE-LBPRGKRZSA-N 1 0 317.349 2.188 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000423754199 420162805 /nfs/dbraw/zinc/16/28/05/420162805.db2.gz ZCNDEMNDDSLARA-GHMZBOCLSA-N 1 0 307.350 1.851 20 5 DDBDRO CCOC(=O)c1ccnc(N2CC[C@H](C)C[C@H]2C[NH3+])c1[N+](=O)[O-] ZINC000420254600 420168635 /nfs/dbraw/zinc/16/86/35/420168635.db2.gz DOTCKYKSYMAQNU-QWRGUYRKSA-N 1 0 322.365 1.730 20 5 DDBDRO [NH3+]C[C@H]1CCCCN1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000430665870 420173149 /nfs/dbraw/zinc/17/31/49/420173149.db2.gz NHUQPTYJPPCQMN-CQSZACIVSA-N 1 0 318.377 1.297 20 5 DDBDRO CN(C(=O)CN1C[C@H]2CCC[C@@H](C1)[NH2+]2)c1ccc([N+](=O)[O-])cc1 ZINC000420351556 420229983 /nfs/dbraw/zinc/22/99/83/420229983.db2.gz XHDJXZNXPRVMKN-BETUJISGSA-N 1 0 318.377 1.384 20 5 DDBDRO C[C@@H]1C[NH2+][C@@H](C)CN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000420382852 420250991 /nfs/dbraw/zinc/25/09/91/420250991.db2.gz DIRKWWRCZYYHCG-NWDGAFQWSA-N 1 0 306.366 1.240 20 5 DDBDRO [NH3+]C[C@H](NC(=O)CNc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000423935470 420275433 /nfs/dbraw/zinc/27/54/33/420275433.db2.gz AGDUNTRXTJSMQI-ZDUSSCGKSA-N 1 0 306.366 1.640 20 5 DDBDRO CCCN(CC(=O)Nc1c(C)cccc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000430941365 420217771 /nfs/dbraw/zinc/21/77/71/420217771.db2.gz WDDPNMJWUGCFOB-ZDUSSCGKSA-N 1 0 320.393 1.916 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000420338257 420220133 /nfs/dbraw/zinc/22/01/33/420220133.db2.gz KNFFRNFDKPWHGW-SWLSCSKDSA-N 1 0 318.377 1.526 20 5 DDBDRO Cc1ccc(S(=O)(=O)N[C@@H](C[NH3+])C(C)(C)C)c([N+](=O)[O-])c1 ZINC000420469945 420305930 /nfs/dbraw/zinc/30/59/30/420305930.db2.gz WHHASRKAJPJZNT-LBPRGKRZSA-N 1 0 315.395 1.555 20 5 DDBDRO CS[C@H]1CN(c2c(C(N)=O)cccc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000420598116 420326552 /nfs/dbraw/zinc/32/65/52/420326552.db2.gz BOWADWBAMBMFQR-NEPJUHHUSA-N 1 0 324.406 1.176 20 5 DDBDRO COc1cc(S(=O)(=O)N[C@@H](C)CCC[NH3+])ccc1[N+](=O)[O-] ZINC000420447732 420292689 /nfs/dbraw/zinc/29/26/89/420292689.db2.gz VKGHNSCUMKDNAF-VIFPVBQESA-N 1 0 317.367 1.009 20 5 DDBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](CC[C@H]3CCOC3)C2)nc1 ZINC000438096548 420439859 /nfs/dbraw/zinc/43/98/59/420439859.db2.gz OWDGXCZLZIKYRK-STQMWFEESA-N 1 0 306.366 1.903 20 5 DDBDRO Cc1ccc(NCCCNC(=O)N[C@@H](C)CC[NH3+])c([N+](=O)[O-])c1 ZINC000417723154 420460944 /nfs/dbraw/zinc/46/09/44/420460944.db2.gz WDZQIDZMCZDLSZ-LBPRGKRZSA-N 1 0 323.397 1.742 20 5 DDBDRO CC[N@@H+]1CCCC[C@H]1CNc1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000439162719 420482607 /nfs/dbraw/zinc/48/26/07/420482607.db2.gz ZUOPFRSNRSMDFD-NSHDSACASA-N 1 0 306.366 1.980 20 5 DDBDRO CO[C@H]1C[C@@H]([NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000451497518 420602266 /nfs/dbraw/zinc/60/22/66/420602266.db2.gz MTFPVWVGBVVIKQ-KGLIPLIRSA-N 1 0 321.377 1.961 20 5 DDBDRO Cc1ccc(S(=O)(=O)NCC2=CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000440843705 420612359 /nfs/dbraw/zinc/61/23/59/420612359.db2.gz LYMLNEKAARHVLH-UHFFFAOYSA-N 1 0 311.363 1.101 20 5 DDBDRO CCO[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000452010160 420617917 /nfs/dbraw/zinc/61/79/17/420617917.db2.gz DMUOMWKYJVJETE-TZMCWYRMSA-N 1 0 307.350 1.741 20 5 DDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCn2cccn2)n1 ZINC000447584368 420784731 /nfs/dbraw/zinc/78/47/31/420784731.db2.gz FJMJYAHTTDXSRB-CHWSQXEVSA-N 1 0 304.354 1.761 20 5 DDBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](O)Cn1ccnn1 ZINC000459689389 420847037 /nfs/dbraw/zinc/84/70/37/420847037.db2.gz DKLAERNJGSAXKL-TZMCWYRMSA-N 1 0 319.365 1.158 20 5 DDBDRO CC[N@@H+]1CC[C@H](NC(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000493700483 420919155 /nfs/dbraw/zinc/91/91/55/420919155.db2.gz XREIQTVPRSKORQ-AGLBCWCQSA-N 1 0 307.325 1.958 20 5 DDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](O)C1CCOCC1 ZINC000449156621 420964022 /nfs/dbraw/zinc/96/40/22/420964022.db2.gz STYWTJYLZVIZCT-LRDDRELGSA-N 1 0 308.378 1.903 20 5 DDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCN1CCC(O)CC1 ZINC000449651661 421046419 /nfs/dbraw/zinc/04/64/19/421046419.db2.gz OJKZDKPUCLFQTH-ZDUSSCGKSA-N 1 0 307.394 1.572 20 5 DDBDRO CCOc1cc(N2CC[NH+]([C@@H](CC)CO)CC2)ccc1[N+](=O)[O-] ZINC000486955372 420993933 /nfs/dbraw/zinc/99/39/33/420993933.db2.gz FSPGSIYIJGAETA-ZDUSSCGKSA-N 1 0 323.393 1.886 20 5 DDBDRO CC(C)[C@H]1CN(c2ccc3ncc([N+](=O)[O-])n3n2)CC[N@@H+]1C ZINC000487084096 421001379 /nfs/dbraw/zinc/00/13/79/421001379.db2.gz JDARCFMHSUJSTC-LLVKDONJSA-N 1 0 304.354 1.414 20 5 DDBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c(NC)n1 ZINC000456073877 421095754 /nfs/dbraw/zinc/09/57/54/421095754.db2.gz WROIMGZXRBGFMR-NSHDSACASA-N 1 0 323.397 1.882 20 5 DDBDRO C[C@H]1[C@H](CO)CC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000488721174 421108411 /nfs/dbraw/zinc/10/84/11/421108411.db2.gz RNJVJSBHPMSJNV-JQWIXIFHSA-N 1 0 318.333 1.848 20 5 DDBDRO CC(C)(C(=O)NC[C@H]1C[NH2+]CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000449706573 421065137 /nfs/dbraw/zinc/06/51/37/421065137.db2.gz BFMJQSDRVLRUHT-CQSZACIVSA-N 1 0 321.377 1.367 20 5 DDBDRO C[NH+](C)CCO[C@@H]1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000450392269 421192282 /nfs/dbraw/zinc/19/22/82/421192282.db2.gz SKZZLVKLJBQKFJ-GFCCVEGCSA-N 1 0 319.365 1.628 20 5 DDBDRO C[C@@]1(CO)CCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000546104472 421285450 /nfs/dbraw/zinc/28/54/50/421285450.db2.gz KHFGXGRUUMSMHX-ZFWWWQNUSA-N 1 0 310.350 1.181 20 5 DDBDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000514668082 421443932 /nfs/dbraw/zinc/44/39/32/421443932.db2.gz QUBJIKFLLZMXHX-ZJUUUORDSA-N 1 0 321.333 1.175 20 5 DDBDRO CNc1ccc(C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000563089211 421453631 /nfs/dbraw/zinc/45/36/31/421453631.db2.gz YGSAKPXBEBOEBM-VXGBXAGGSA-N 1 0 304.350 1.461 20 5 DDBDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000516490537 421548242 /nfs/dbraw/zinc/54/82/42/421548242.db2.gz TYMIBVISCYULJZ-NSHDSACASA-N 1 0 321.381 1.422 20 5 DDBDRO CC(=O)NCC[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000563883721 421552184 /nfs/dbraw/zinc/55/21/84/421552184.db2.gz WBKNKDCSKNYUIX-UHFFFAOYSA-N 1 0 322.365 1.300 20 5 DDBDRO COc1cc(CN(C)CCC[NH+](C)C)c([N+](=O)[O-])cc1OC ZINC000564312942 421579335 /nfs/dbraw/zinc/57/93/35/421579335.db2.gz LLLVYCLQOIHADM-UHFFFAOYSA-N 1 0 311.382 1.996 20 5 DDBDRO C[C@H]1CC[N@H+](CC(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000553544880 421619327 /nfs/dbraw/zinc/61/93/27/421619327.db2.gz OKQUGQJDPCUPAD-VIFPVBQESA-N 1 0 303.322 1.751 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@H]1CCC[C@H]1CO ZINC000571523943 421723005 /nfs/dbraw/zinc/72/30/05/421723005.db2.gz PDYQVLKTFVGZRK-AVGNSLFASA-N 1 0 310.350 1.085 20 5 DDBDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC000570826066 421672168 /nfs/dbraw/zinc/67/21/68/421672168.db2.gz YPRAOLZBOGRWJA-LLVKDONJSA-N 1 0 323.397 1.948 20 5 DDBDRO C[NH+](C)C[C@@H]1CCCCN1C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000521518909 421790309 /nfs/dbraw/zinc/79/03/09/421790309.db2.gz UYDPRADEBIYBSK-LBPRGKRZSA-N 1 0 309.370 1.124 20 5 DDBDRO CC(C)(CNC(=O)c1ccnc(N)c1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000580842583 421849021 /nfs/dbraw/zinc/84/90/21/421849021.db2.gz LPWXRZQAPJYOGQ-UHFFFAOYSA-N 1 0 321.381 1.424 20 5 DDBDRO Cc1nc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)sc1C ZINC000573556961 421979135 /nfs/dbraw/zinc/97/91/35/421979135.db2.gz KPRCGSFAQRBZIZ-NSHDSACASA-N 1 0 311.367 1.015 20 5 DDBDRO O=[N+]([O-])c1ccc2c(ccnc2NCC[N@H+]2CC[C@H](O)C2)c1 ZINC000599199229 422404434 /nfs/dbraw/zinc/40/44/34/422404434.db2.gz HNEOJGJYVNLVJP-ZDUSSCGKSA-N 1 0 302.334 1.622 20 5 DDBDRO CC[C@H]1C[N@H+](C)CCN1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000578160504 422513164 /nfs/dbraw/zinc/51/31/64/422513164.db2.gz LUMBCZVYLRHWHR-AWEZNQCLSA-N 1 0 320.393 1.873 20 5 DDBDRO CC[NH+](CC)C[C@H](C)NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000341707319 271181180 /nfs/dbraw/zinc/18/11/80/271181180.db2.gz VJWOCGBDMOUKGE-LBPRGKRZSA-N 1 0 309.366 1.820 20 5 DDBDRO COc1c(C(=O)NC2(C[NH+](C)C)CCC2)cccc1[N+](=O)[O-] ZINC000341945791 271254134 /nfs/dbraw/zinc/25/41/34/271254134.db2.gz KBXIEVJBPNEBGD-UHFFFAOYSA-N 1 0 307.350 1.818 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CNCC1([NH3+])CCC1 ZINC000342129889 271309899 /nfs/dbraw/zinc/30/98/99/271309899.db2.gz HPGQBVFAMYLHGB-UHFFFAOYSA-N 1 0 308.338 1.013 20 5 DDBDRO COC(=O)[C@@](C)(O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000343997907 271928700 /nfs/dbraw/zinc/92/87/00/271928700.db2.gz YDNUFDCETJTWJP-HNNXBMFYSA-N 1 0 310.350 1.729 20 5 DDBDRO CC[N@@H+]1C[C@H](C)N(C(=O)CNc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000345916004 272364602 /nfs/dbraw/zinc/36/46/02/272364602.db2.gz YZAZCAXIQRZOND-STQMWFEESA-N 1 0 320.393 1.948 20 5 DDBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H](CN)C1CC1 ZINC000414798988 533688975 /nfs/dbraw/zinc/68/89/75/533688975.db2.gz CXHDBHARIOVZSI-QMTHXVAHSA-N 1 0 306.366 1.639 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H](O)C[C@H]1C ZINC000340904202 274118725 /nfs/dbraw/zinc/11/87/25/274118725.db2.gz JAGOJEHLMOKFGU-PWSUYJOCSA-N 1 0 323.349 1.387 20 5 DDBDRO CS[C@@H]1CN(c2ncc([N+](=O)[O-])cn2)C[C@H]1[NH+]1CCCC1 ZINC000275831722 274183443 /nfs/dbraw/zinc/18/34/43/274183443.db2.gz OFRMZEQPXRNZIC-VXGBXAGGSA-N 1 0 309.395 1.401 20 5 DDBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H]1CCC[NH2+]C1 ZINC000414866949 274206548 /nfs/dbraw/zinc/20/65/48/274206548.db2.gz NMYSGJYNAAXFHI-WCQYABFASA-N 1 0 306.366 1.654 20 5 DDBDRO C[C@@H](CO)[C@H](C)[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000295726219 274228753 /nfs/dbraw/zinc/22/87/53/274228753.db2.gz LOJZTZIVEOIQLD-QWRGUYRKSA-N 1 0 307.350 1.090 20 5 DDBDRO O=[N+]([O-])c1cc2c(ncnc2N2CC[NH+](C3CC3)CC2)s1 ZINC000288351070 275034102 /nfs/dbraw/zinc/03/41/02/275034102.db2.gz JBZSXNUQGRBHLL-UHFFFAOYSA-N 1 0 305.363 1.884 20 5 DDBDRO CC(C)[C@@H](C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[NH+](C)C ZINC000278155000 275666472 /nfs/dbraw/zinc/66/64/72/275666472.db2.gz OTNUQVHONPHHSR-AWEZNQCLSA-N 1 0 319.365 1.674 20 5 DDBDRO CC[N@@H+]1CCCN(c2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])CC1 ZINC000287531620 276165388 /nfs/dbraw/zinc/16/53/88/276165388.db2.gz VQDKRMKFBRJXRO-UHFFFAOYSA-N 1 0 322.365 1.617 20 5 DDBDRO CO[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)[C@@H](C[NH3+])C1 ZINC000262366951 277291529 /nfs/dbraw/zinc/29/15/29/277291529.db2.gz XBAZHSDFASEXEN-GHMZBOCLSA-N 1 0 311.313 1.312 20 5 DDBDRO CO[C@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2C)[C@H](C[NH3+])C1 ZINC000262337217 277339992 /nfs/dbraw/zinc/33/99/92/277339992.db2.gz TZDRVPNJEJWQNI-RYUDHWBXSA-N 1 0 307.350 1.482 20 5 DDBDRO COc1cc(OCC(=O)N(C)C2(C[NH3+])CCC2)ccc1[N+](=O)[O-] ZINC000449676331 277837564 /nfs/dbraw/zinc/83/75/64/277837564.db2.gz GMWNPWKHUOUAHO-UHFFFAOYSA-N 1 0 323.349 1.322 20 5 DDBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)C[NH+]1CCCCC1 ZINC000125907581 278281723 /nfs/dbraw/zinc/28/17/23/278281723.db2.gz ZVFFTLCYGHDPKB-NSHDSACASA-N 1 0 322.365 1.547 20 5 DDBDRO Cn1c(C(=O)N2CCCC[C@H]2[C@@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000423956126 279305440 /nfs/dbraw/zinc/30/54/40/279305440.db2.gz AHFVPCYWNMMQJY-NEPJUHHUSA-N 1 0 306.366 1.538 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000123795720 279405627 /nfs/dbraw/zinc/40/56/27/279405627.db2.gz RFZNTJAYCYNULI-LBPRGKRZSA-N 1 0 321.381 1.419 20 5 DDBDRO C[C@H]([NH3+])[C@H](C)NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000449591456 279413905 /nfs/dbraw/zinc/41/39/05/279413905.db2.gz QMBNUUVMZSBXGI-UWVGGRQHSA-N 1 0 303.322 1.246 20 5 DDBDRO Cc1n[nH]c(C(=O)N(C)C(C)(C)C[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000416332062 280187107 /nfs/dbraw/zinc/18/71/07/280187107.db2.gz FEGAFSBDOIODMP-UHFFFAOYSA-N 1 0 309.370 1.573 20 5 DDBDRO Cn1nc([N+](=O)[O-])cc1C(=O)Nc1ccccc1CC[NH+](C)C ZINC000354200303 298361321 /nfs/dbraw/zinc/36/13/21/298361321.db2.gz SVFRHKWKZOKBKC-UHFFFAOYSA-N 1 0 317.349 1.685 20 5 DDBDRO C[C@@H]1CC(C)(C)C[C@](CO)([NH2+]CCn2ccc([N+](=O)[O-])n2)C1 ZINC000362232922 300034013 /nfs/dbraw/zinc/03/40/13/300034013.db2.gz JGNDJHLPYPTZJM-IUODEOHRSA-N 1 0 310.398 1.958 20 5 DDBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000362301246 300047405 /nfs/dbraw/zinc/04/74/05/300047405.db2.gz QWCNBYNPHBVSOQ-GFCCVEGCSA-N 1 0 308.382 1.737 20 5 DDBDRO CCC[N@@H+]1CCCN(C(=O)Cn2cc([N+](=O)[O-])nc2C)CC1 ZINC000363443246 300268656 /nfs/dbraw/zinc/26/86/56/300268656.db2.gz VLECRNJRYZBLGQ-UHFFFAOYSA-N 1 0 309.370 1.044 20 5 DDBDRO COCC[C@@H]1CCCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000364151086 300350730 /nfs/dbraw/zinc/35/07/30/300350730.db2.gz QEMYKPZMODIEJV-AWEZNQCLSA-N 1 0 323.393 1.895 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3N)C[C@H]21 ZINC000364307976 300373063 /nfs/dbraw/zinc/37/30/63/300373063.db2.gz NTTLXUNWYNSWHL-QMTHXVAHSA-N 1 0 304.350 1.343 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H]2CCO[C@@H]2C2CC2)c1 ZINC000365346332 300501181 /nfs/dbraw/zinc/50/11/81/300501181.db2.gz VPZBCMOIEPJINS-FVQBIDKESA-N 1 0 322.361 1.492 20 5 DDBDRO Nc1ccc(NC2CC[NH+]([C@@H]3CCOC3)CC2)c([N+](=O)[O-])c1 ZINC000367837392 300894343 /nfs/dbraw/zinc/89/43/43/300894343.db2.gz XDBNTBZVHAMUKN-CYBMUJFWSA-N 1 0 306.366 1.842 20 5 DDBDRO O=C(COc1ccccc1[N+](=O)[O-])N[C@H]1CC12CC[NH2+]CC2 ZINC000368161697 300966823 /nfs/dbraw/zinc/96/68/23/300966823.db2.gz XFZSUWZJJHRRQV-ZDUSSCGKSA-N 1 0 305.334 1.232 20 5 DDBDRO NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000368976930 301116167 /nfs/dbraw/zinc/11/61/67/301116167.db2.gz ZVOQIXYJCRFJCJ-MYPMTAMASA-N 1 0 319.361 1.214 20 5 DDBDRO Cc1ccc(S(=O)(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000447252174 301683632 /nfs/dbraw/zinc/68/36/32/301683632.db2.gz ZYWHTZATHYFXPK-WDEREUQCSA-N 1 0 313.379 1.261 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1C[C@H](C)[NH2+]C[C@H]1C ZINC000250991213 302046585 /nfs/dbraw/zinc/04/65/85/302046585.db2.gz BJUWRIUPGYAILP-WDEREUQCSA-N 1 0 313.379 1.274 20 5 DDBDRO O=C1NC[C@H]2C[N@H+](CCCOc3ccc([N+](=O)[O-])cc3)CC[C@H]12 ZINC000377717984 302218332 /nfs/dbraw/zinc/21/83/32/302218332.db2.gz CWZIFSXAVOLACA-WFASDCNBSA-N 1 0 319.361 1.432 20 5 DDBDRO CNc1ccc(C(=O)N2CC[NH+]3CCC2CC3)cc1[N+](=O)[O-] ZINC000527308687 302952232 /nfs/dbraw/zinc/95/22/32/302952232.db2.gz HWHUCZPTKFBXMB-UHFFFAOYSA-N 1 0 304.350 1.557 20 5 DDBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357084256 306870729 /nfs/dbraw/zinc/87/07/29/306870729.db2.gz PJYYSRREIUIODR-UPJWGTAASA-N 1 0 318.377 1.463 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@@H]2c2ccccn2)c1 ZINC000530963065 303222757 /nfs/dbraw/zinc/22/27/57/303222757.db2.gz BJBIZILWCHPDFY-DZGCQCFKSA-N 1 0 317.349 1.384 20 5 DDBDRO Cc1ccc(S(=O)(=O)N[C@@H](C)CC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000357667895 306904744 /nfs/dbraw/zinc/90/47/44/306904744.db2.gz QNZSGMYQBQUEJZ-NSHDSACASA-N 1 0 315.395 1.522 20 5 DDBDRO C[C@H]1CCC[C@@](CNC(=O)c2c[nH]nc2[N+](=O)[O-])([NH+](C)C)C1 ZINC000558733670 303781572 /nfs/dbraw/zinc/78/15/72/303781572.db2.gz BQDWWKZYEMEBLK-IINYFYTJSA-N 1 0 309.370 1.558 20 5 DDBDRO COc1cccc(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)c1[N+](=O)[O-] ZINC000562980715 303905415 /nfs/dbraw/zinc/90/54/15/303905415.db2.gz IUIMMLHLGPPJBI-VIFPVBQESA-N 1 0 321.255 1.613 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCC[C@H]2CCCCO2)c1 ZINC000563014138 303911022 /nfs/dbraw/zinc/91/10/22/303911022.db2.gz PSQRPIAVBBPAGC-ZIAGYGMSSA-N 1 0 312.370 1.091 20 5 DDBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCc1ncn(C)n1 ZINC000358372470 306940853 /nfs/dbraw/zinc/94/08/53/306940853.db2.gz BBTCLGGBFGWGCH-GFCCVEGCSA-N 1 0 303.366 1.877 20 5 DDBDRO C[N@@H+]1CCCC12CCN(C(=O)c1cc([N+](=O)[O-])ccc1N)CC2 ZINC000364965702 307055032 /nfs/dbraw/zinc/05/50/32/307055032.db2.gz ZLNCKMGKICEEFN-UHFFFAOYSA-N 1 0 318.377 1.877 20 5 DDBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000365357349 307065939 /nfs/dbraw/zinc/06/59/39/307065939.db2.gz NATMPWLLBDMTLC-HIFRSBDPSA-N 1 0 303.362 1.738 20 5 DDBDRO COC(=O)[C@H]1C[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000366655090 307078661 /nfs/dbraw/zinc/07/86/61/307078661.db2.gz PPHGCWNJCJYTCS-ZIAGYGMSSA-N 1 0 322.361 1.759 20 5 DDBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)COc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000368610372 307106357 /nfs/dbraw/zinc/10/63/57/307106357.db2.gz FKZDBNQLPDBHIP-FRRDWIJNSA-N 1 0 319.361 1.559 20 5 DDBDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1c1ncc([N+](=O)[O-])s1 ZINC000369503199 307122292 /nfs/dbraw/zinc/12/22/92/307122292.db2.gz JFXSERHBLDDAIU-SNVBAGLBSA-N 1 0 312.395 1.741 20 5 DDBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@H]1C[NH+]2CCC1CC2 ZINC000370677506 307132206 /nfs/dbraw/zinc/13/22/06/307132206.db2.gz WZWHOGDRMLWPHN-HNNXBMFYSA-N 1 0 303.362 1.595 20 5 DDBDRO COc1cc(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000371511974 307151902 /nfs/dbraw/zinc/15/19/02/307151902.db2.gz ULRSRLPAANYTGF-CHWSQXEVSA-N 1 0 319.361 1.960 20 5 DDBDRO Nc1c(C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000371854997 307159004 /nfs/dbraw/zinc/15/90/04/307159004.db2.gz YNOWGOPPISNCLE-LBPRGKRZSA-N 1 0 318.377 1.877 20 5 DDBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@@]1(F)CC[NH2+]C1 ZINC000376789804 307256653 /nfs/dbraw/zinc/25/66/53/307256653.db2.gz MQGGLDNXFUIKLW-CYBMUJFWSA-N 1 0 315.732 1.908 20 5 DDBDRO O=C(c1ccc([N+](=O)[O-])cn1)N1CC[NH+](C2CCCC2)CC1 ZINC000531633323 307620884 /nfs/dbraw/zinc/62/08/84/307620884.db2.gz DUPXMFHFWMIMLY-UHFFFAOYSA-N 1 0 304.350 1.690 20 5 DDBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)NCC1CC[NH2+]CC1 ZINC000557164053 307865793 /nfs/dbraw/zinc/86/57/93/307865793.db2.gz BNWYRDQPXSUULA-UHFFFAOYSA-N 1 0 306.366 1.436 20 5 DDBDRO O=C1NCC[C@@H]1CC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000561470246 307926884 /nfs/dbraw/zinc/92/68/84/307926884.db2.gz BFHBYHOCGAJQCI-CYBMUJFWSA-N 1 0 318.377 1.243 20 5 DDBDRO Cc1ccc(CC[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000567104427 308071146 /nfs/dbraw/zinc/07/11/46/308071146.db2.gz MUKAHNVSJAGQTJ-HNNXBMFYSA-N 1 0 304.350 1.293 20 5 DDBDRO CC[C@@H]1C[C@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000572149686 308213350 /nfs/dbraw/zinc/21/33/50/308213350.db2.gz OTQAJVGAFSSZMN-VHDGCEQUSA-N 1 0 324.377 1.882 20 5 DDBDRO CC(C)CC[C@@H](O)C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000572694780 308222122 /nfs/dbraw/zinc/22/21/22/308222122.db2.gz MPUNBIWMQJLNCA-OAHLLOKOSA-N 1 0 322.409 1.909 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CCC(F)(F)F ZINC000575981834 308284468 /nfs/dbraw/zinc/28/44/68/308284468.db2.gz ZLBJFQIEKWYJCB-VIFPVBQESA-N 1 0 308.256 1.877 20 5 DDBDRO CS(=O)(=O)c1ccc(N[C@@H]2CCC[C@@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000382448852 325745074 /nfs/dbraw/zinc/74/50/74/325745074.db2.gz LLDIECZLTLTLMJ-NXEZZACHSA-N 1 0 313.379 1.680 20 5 DDBDRO CCOC(=O)CC[C@@H](O)C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000385427966 325754157 /nfs/dbraw/zinc/75/41/57/325754157.db2.gz MHNLRAAHFNUVNF-CYBMUJFWSA-N 1 0 310.350 1.697 20 5 DDBDRO O=C(c1ccc(F)cc1[N+](=O)[O-])N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000518379376 325791444 /nfs/dbraw/zinc/79/14/44/325791444.db2.gz IZNYRDMVAQDVIA-OAHLLOKOSA-N 1 0 307.325 1.950 20 5 DDBDRO [NH3+]C[C@@H]1c2ccccc2CCN1CCn1cc([N+](=O)[O-])cn1 ZINC000582789374 337166445 /nfs/dbraw/zinc/16/64/45/337166445.db2.gz XSLZRBZNEGTKRX-OAHLLOKOSA-N 1 0 301.350 1.349 20 5 DDBDRO Cc1c(C(=O)N[C@H](CC[NH3+])C(F)(F)F)cccc1[N+](=O)[O-] ZINC000307821658 484377377 /nfs/dbraw/zinc/37/73/77/484377377.db2.gz QASGVZVGTBMJHI-SNVBAGLBSA-N 1 0 305.256 1.913 20 5 DDBDRO C[C@@H]1CCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000424025450 533944322 /nfs/dbraw/zinc/94/43/22/533944322.db2.gz WPNWKUWOASZTCI-OLZOCXBDSA-N 1 0 320.393 1.474 20 5 DDBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000417235986 534463168 /nfs/dbraw/zinc/46/31/68/534463168.db2.gz SJIHZDLWMWZVRW-MRXNPFEDSA-N 1 0 318.377 1.532 20 5 DDBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000417949516 534472564 /nfs/dbraw/zinc/47/25/64/534472564.db2.gz VBWYQEMEBAEHIN-OCCSQVGLSA-N 1 0 304.350 1.141 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000435235309 534628503 /nfs/dbraw/zinc/62/85/03/534628503.db2.gz MFGVPODSPBOFMY-ZDUSSCGKSA-N 1 0 305.334 1.327 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000292834273 534628533 /nfs/dbraw/zinc/62/85/33/534628533.db2.gz BSQJNIRPVKXCQA-RISCZKNCSA-N 1 0 305.334 1.184 20 5 DDBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](CCc3cn[nH]c3)C2)nc1 ZINC000459386770 534882528 /nfs/dbraw/zinc/88/25/28/534882528.db2.gz YOMQYNYVMYDKKM-GFCCVEGCSA-N 1 0 302.338 1.442 20 5 DDBDRO CC(C)(CC[NH3+])NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000424047554 527029258 /nfs/dbraw/zinc/02/92/58/527029258.db2.gz OEWHWIHCLBVMQM-UHFFFAOYSA-N 1 0 317.349 1.638 20 5 DDBDRO CC(C)(C[NH3+])NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000418002713 527072801 /nfs/dbraw/zinc/07/28/01/527072801.db2.gz ZGIHVYKRCZUTCY-UHFFFAOYSA-N 1 0 314.773 1.827 20 5 DDBDRO CC[NH+](CC)[C@H](C)CNc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000736532389 598498495 /nfs/dbraw/zinc/49/84/95/598498495.db2.gz CPKCUURLEFSULX-SECBINFHSA-N 1 0 320.357 1.312 20 5 DDBDRO C[C@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC[N@@H+]1C ZINC000820665055 599589601 /nfs/dbraw/zinc/58/96/01/599589601.db2.gz DLEOMGJHWNNZIY-IUCAKERBSA-N 1 0 318.341 1.065 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](C)CC1 ZINC000078422931 696451075 /nfs/dbraw/zinc/45/10/75/696451075.db2.gz XVLODUWTTSWOQG-UHFFFAOYSA-N 1 0 306.366 1.485 20 5 DDBDRO CC(C)[C@H](C(=O)OCCn1ccc([N+](=O)[O-])n1)[NH+]1CCCCC1 ZINC000748130186 700101305 /nfs/dbraw/zinc/10/13/05/700101305.db2.gz WQSHOZDANWBQLA-CQSZACIVSA-N 1 0 324.381 1.845 20 5 DDBDRO Cc1nn(CN2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c(C)c1[N+](=O)[O-] ZINC000129289398 696787554 /nfs/dbraw/zinc/78/75/54/696787554.db2.gz UDZUMXOGBZWUGH-KBPBESRZSA-N 1 0 307.398 1.782 20 5 DDBDRO Cc1ccccc1C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000983653548 697286648 /nfs/dbraw/zinc/28/66/48/697286648.db2.gz JOFCXFFDXUKZRG-DTZQCDIJSA-N 1 0 317.389 1.645 20 5 DDBDRO C[C@H](CC(N)=O)[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000162234900 697327302 /nfs/dbraw/zinc/32/73/02/697327302.db2.gz WBVSMWALPKOCMO-SSDOTTSWSA-N 1 0 316.155 1.711 20 5 DDBDRO C[C@@H]1CCN(CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)[C@@H]1C ZINC000174952587 697393568 /nfs/dbraw/zinc/39/35/68/697393568.db2.gz AWNBXGXLOQDYFW-NXEZZACHSA-N 1 0 303.318 1.879 20 5 DDBDRO Nc1ccc(C(=O)NC2CC[NH+](CC3CC3)CC2)cc1[N+](=O)[O-] ZINC000194224588 697699428 /nfs/dbraw/zinc/69/94/28/697699428.db2.gz YLTKTMBTXUEKLQ-UHFFFAOYSA-N 1 0 318.377 1.781 20 5 DDBDRO CCCc1n[nH]c(C(=O)NCC[N@@H+]2CCC[C@@H]2C)c1[N+](=O)[O-] ZINC000773196438 697726608 /nfs/dbraw/zinc/72/66/08/697726608.db2.gz FFSIYVXBEIUUTA-JTQLQIEISA-N 1 0 309.370 1.485 20 5 DDBDRO CCN(CC)C(=O)C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000774142000 697847907 /nfs/dbraw/zinc/84/79/07/697847907.db2.gz WXPDNWQBLLPKEJ-QWHCGFSZSA-N 1 0 323.397 1.733 20 5 DDBDRO COC[C@H]1CCC[N@H+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C1 ZINC000749953538 700194423 /nfs/dbraw/zinc/19/44/23/700194423.db2.gz NSGWZSLPCRKACA-LBPRGKRZSA-N 1 0 319.365 1.964 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CC[C@H]([C@H]3CCOC3)C2)cc1 ZINC000776591752 698123779 /nfs/dbraw/zinc/12/37/79/698123779.db2.gz WMRATURRMVCFQH-OFQRWUPVSA-N 1 0 306.362 1.987 20 5 DDBDRO CC(C)(CO)[NH+]1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000750107867 700204034 /nfs/dbraw/zinc/20/40/34/700204034.db2.gz TUFQAPGHAWGCST-HNNXBMFYSA-N 1 0 323.393 1.017 20 5 DDBDRO O=[N+]([O-])c1cc(Cl)ccc1CN1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000262509314 698472708 /nfs/dbraw/zinc/47/27/08/698472708.db2.gz MULRNBKEPAALRV-CQSZACIVSA-N 1 0 324.812 1.728 20 5 DDBDRO O=C(CC[N@H+]1C[C@@H]2C[C@]2(CO)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000782618723 698752028 /nfs/dbraw/zinc/75/20/28/698752028.db2.gz OKBGYCILPRLILP-ZUZCIYMTSA-N 1 0 323.324 1.377 20 5 DDBDRO COc1ccc(OCC[N@@H+]2C[C@H]3C[C@@]3(CO)C2)c([N+](=O)[O-])c1 ZINC000782619983 698752278 /nfs/dbraw/zinc/75/22/78/698752278.db2.gz JSTZMLFAKSQFSG-ABAIWWIYSA-N 1 0 308.334 1.296 20 5 DDBDRO COCC[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCOC1 ZINC000786190891 699133238 /nfs/dbraw/zinc/13/32/38/699133238.db2.gz OOXHKPMGVAPKSV-HUUCEWRRSA-N 1 0 310.350 1.366 20 5 DDBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000424027507 699147768 /nfs/dbraw/zinc/14/77/68/699147768.db2.gz MQJIFUDSVWYZSC-INIZCTEOSA-N 1 0 318.377 1.751 20 5 DDBDRO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000787329728 699206691 /nfs/dbraw/zinc/20/66/91/699206691.db2.gz DEYFIXNZNRPAFU-RZFFKMDDSA-N 1 0 319.361 1.214 20 5 DDBDRO CC(C)[C@@H](C(=O)OCc1ccc(C(N)=O)cc1[N+](=O)[O-])[NH+](C)C ZINC000787959705 699260995 /nfs/dbraw/zinc/26/09/95/699260995.db2.gz GVVPMWQDZLFJFJ-ZDUSSCGKSA-N 1 0 323.349 1.323 20 5 DDBDRO C[NH+]1CC2(C1)CCN(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C2 ZINC000788203825 699290325 /nfs/dbraw/zinc/29/03/25/699290325.db2.gz VDXHHGFTBDPEAU-UHFFFAOYSA-N 1 0 320.305 1.281 20 5 DDBDRO CC(C)[N@H+](C)CCNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000726195390 699353407 /nfs/dbraw/zinc/35/34/07/699353407.db2.gz XUAJCPQLYVEDKX-UHFFFAOYSA-N 1 0 319.365 1.401 20 5 DDBDRO C[N@@H+]1C[C@H]2CCN(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H]2C1 ZINC000794927325 699836268 /nfs/dbraw/zinc/83/62/68/699836268.db2.gz FLOBUBRMYNCKKV-BXUZGUMPSA-N 1 0 306.322 1.639 20 5 DDBDRO C[C@@H]1CCC[N@@H+]1CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000742240120 699869509 /nfs/dbraw/zinc/86/95/09/699869509.db2.gz IXCMNUAFRWCGJD-SECBINFHSA-N 1 0 310.329 1.530 20 5 DDBDRO C[C@H]1CCC[N@@H+]1CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000742240124 699869523 /nfs/dbraw/zinc/86/95/23/699869523.db2.gz IXCMNUAFRWCGJD-VIFPVBQESA-N 1 0 310.329 1.530 20 5 DDBDRO Cc1nn(CN2C[C@H]([NH+]3CCCC3)C[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000795703625 699885233 /nfs/dbraw/zinc/88/52/33/699885233.db2.gz RCXMNHWHKSPJQO-BXUZGUMPSA-N 1 0 307.398 1.924 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)NCCN2CCC2)cc1[N+](=O)[O-] ZINC000752629464 700376223 /nfs/dbraw/zinc/37/62/23/700376223.db2.gz CTAUHHGSRROPHS-UHFFFAOYSA-N 1 0 308.294 1.247 20 5 DDBDRO COC(C)(C)CN(C)Cn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000758405752 700704069 /nfs/dbraw/zinc/70/40/69/700704069.db2.gz TWCCOMNMRQTPRH-UHFFFAOYSA-N 1 0 309.322 1.817 20 5 DDBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[N@H+](C)[C@H](C)C1 ZINC000761077091 700840231 /nfs/dbraw/zinc/84/02/31/700840231.db2.gz MWUKMYPUXFOCSA-NEPJUHHUSA-N 1 0 306.366 1.558 20 5 DDBDRO O=C1NCCC[C@@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000765515229 701017562 /nfs/dbraw/zinc/01/75/62/701017562.db2.gz JUILKINZVUEIHH-HNNXBMFYSA-N 1 0 318.377 1.432 20 5 DDBDRO O=C(C[NH2+][C@H](CCO)C1CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000771801500 701331374 /nfs/dbraw/zinc/33/13/74/701331374.db2.gz SDBHTNJGUKQAIQ-CQSZACIVSA-N 1 0 319.361 1.235 20 5 DDBDRO Cc1c(NC(=O)[C@@H](C)[NH2+][C@@H](CO)C2CC2)cccc1[N+](=O)[O-] ZINC000771814613 701332637 /nfs/dbraw/zinc/33/26/37/701332637.db2.gz ATGBZBUVSMMCTF-MFKMUULPSA-N 1 0 307.350 1.591 20 5 DDBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839699020 701788452 /nfs/dbraw/zinc/78/84/52/701788452.db2.gz UURHDVPYWKHEFK-DTZQCDIJSA-N 1 0 317.389 1.678 20 5 DDBDRO Cc1ccc(CNC(=O)[C@@H]2C[NH2+]CCC2(F)F)cc1[N+](=O)[O-] ZINC000867996231 701879863 /nfs/dbraw/zinc/87/98/63/701879863.db2.gz UYAGSEZIRQGOGZ-NSHDSACASA-N 1 0 313.304 1.764 20 5 DDBDRO C[C@H](NC(=O)COc1ccccc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000868008733 701888744 /nfs/dbraw/zinc/88/87/44/701888744.db2.gz WKRRTOXPPMOISN-NSHDSACASA-N 1 0 307.350 1.478 20 5 DDBDRO CC[C@H]1C[N@H+](C)CCN1Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000840092782 701965491 /nfs/dbraw/zinc/96/54/91/701965491.db2.gz XVAMOJCBFBQMRG-NSHDSACASA-N 1 0 320.349 1.486 20 5 DDBDRO C[C@@H]1CN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])C[C@H](C)[N@H+]1C ZINC000868581668 702210426 /nfs/dbraw/zinc/21/04/26/702210426.db2.gz SSMUTLFIKUGWRH-PHIMTYICSA-N 1 0 309.341 1.827 20 5 DDBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCCS(C)(=O)=O ZINC000866258627 706659544 /nfs/dbraw/zinc/65/95/44/706659544.db2.gz WFPPJYYXKYSIBZ-JTQLQIEISA-N 1 0 318.370 1.689 20 5 DDBDRO C[C@@H](C[NH3+])N(C)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000841855226 702588668 /nfs/dbraw/zinc/58/86/68/702588668.db2.gz IMSPFDOOJKVEBN-QMMMGPOBSA-N 1 0 300.746 1.737 20 5 DDBDRO [NH3+]C[C@H](NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl)C1CC1 ZINC000841856118 702588998 /nfs/dbraw/zinc/58/89/98/702588998.db2.gz NIAGKTXHKUWBLZ-LBPRGKRZSA-N 1 0 312.757 1.785 20 5 DDBDRO [NH3+]C[C@@H]1CCN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000841856509 702589620 /nfs/dbraw/zinc/58/96/20/702589620.db2.gz QODKXOCKIKDIOW-VIFPVBQESA-N 1 0 312.757 1.738 20 5 DDBDRO CC1(C)C[NH2+][C@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000818476074 702652080 /nfs/dbraw/zinc/65/20/80/702652080.db2.gz FVQWSAMFEXRWCZ-AWEZNQCLSA-N 1 0 318.377 1.241 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@@H](C)[C@H](C)[NH3+])c1 ZINC000842881932 702786558 /nfs/dbraw/zinc/78/65/58/702786558.db2.gz MIRZLFSBRLWYSO-YUMQZZPRSA-N 1 0 321.786 1.571 20 5 DDBDRO Cc1ccc(OS(=O)(=O)CCC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000866427370 706696783 /nfs/dbraw/zinc/69/67/83/706696783.db2.gz NLFCLEJFCYFHPW-UHFFFAOYSA-N 1 0 302.352 1.564 20 5 DDBDRO Cc1cc(S(=O)(=O)N[C@H](C)C[C@H](C)[NH3+])cc([N+](=O)[O-])c1F ZINC000842915890 702790728 /nfs/dbraw/zinc/79/07/28/702790728.db2.gz WBXPYLASRRNQJK-DTWKUNHWSA-N 1 0 319.358 1.446 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@@H](O)Cc2ccccc2)c1 ZINC000843072077 702813498 /nfs/dbraw/zinc/81/34/98/702813498.db2.gz SYUKHSXFNMCOGR-IRXDYDNUSA-N 1 0 316.357 1.821 20 5 DDBDRO Cc1c(-c2noc(C[C@H]3C[NH2+]CCO3)n2)cccc1[N+](=O)[O-] ZINC000843238771 702847709 /nfs/dbraw/zinc/84/77/09/702847709.db2.gz YYXCVZTWQKEDGS-JTQLQIEISA-N 1 0 304.306 1.484 20 5 DDBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NC1CC[NH2+]CC1 ZINC000843284089 702853893 /nfs/dbraw/zinc/85/38/93/702853893.db2.gz BMKYRUVLDDZNCE-UHFFFAOYSA-N 1 0 315.732 1.798 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000843338852 702862227 /nfs/dbraw/zinc/86/22/27/702862227.db2.gz XSENRYBXWXSVSW-LLVKDONJSA-N 1 0 306.366 1.390 20 5 DDBDRO C[C@H](CO)C1CC[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000844417155 703028556 /nfs/dbraw/zinc/02/85/56/703028556.db2.gz SGDMYDVTKVHEOD-WBMJQRKESA-N 1 0 308.378 1.969 20 5 DDBDRO CCO[C@H](CNC(=O)c1cc([N+](=O)[O-])c(C)cc1C)C[NH+](C)C ZINC000831713831 706759807 /nfs/dbraw/zinc/75/98/07/706759807.db2.gz QCAXEIBPUVEJBH-CYBMUJFWSA-N 1 0 323.393 1.908 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCCc2cc(C[NH3+])ccc21 ZINC000818551955 703923616 /nfs/dbraw/zinc/92/36/16/703923616.db2.gz VZMYHUWZKSAKON-UHFFFAOYSA-N 1 0 314.345 1.985 20 5 DDBDRO Cc1c(C[N@@H+]2CC[C@@H](N3CCOC3=O)C2)cccc1[N+](=O)[O-] ZINC000852431657 704045073 /nfs/dbraw/zinc/04/50/73/704045073.db2.gz JHGUHQFHJGPZCJ-CYBMUJFWSA-N 1 0 305.334 1.930 20 5 DDBDRO CN(CC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)CC(F)(F)F ZINC000819053117 704059675 /nfs/dbraw/zinc/05/96/75/704059675.db2.gz CKNXJOZCFHTYOH-GFCCVEGCSA-N 1 0 321.299 1.712 20 5 DDBDRO COC(=O)N(C)CC[N@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000852569332 704076810 /nfs/dbraw/zinc/07/68/10/704076810.db2.gz NJJDAAWLYLGWCZ-ZDUSSCGKSA-N 1 0 311.338 1.258 20 5 DDBDRO CCC(=O)N1CC[C@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000819163946 704079169 /nfs/dbraw/zinc/07/91/69/704079169.db2.gz OGKQTZKFAADZTO-GXTWGEPZSA-N 1 0 307.350 1.229 20 5 DDBDRO Cc1ccc([C@@H](C)NC(=O)C2=NO[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000852852660 704148392 /nfs/dbraw/zinc/14/83/92/704148392.db2.gz DTCXADNNIQJEBN-KOLCDFICSA-N 1 0 306.322 1.184 20 5 DDBDRO O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CCOC2(C[NH2+]C2)C1 ZINC000853246087 704224022 /nfs/dbraw/zinc/22/40/22/704224022.db2.gz SBNDHTDZWGUBEO-UHFFFAOYSA-N 1 0 311.725 1.063 20 5 DDBDRO CCc1n[nH]c(C(=O)N2CC[N@H+](C)C(C)(C)CC2)c1[N+](=O)[O-] ZINC000871153056 704232509 /nfs/dbraw/zinc/23/25/09/704232509.db2.gz DOOZUKHONCKKGV-UHFFFAOYSA-N 1 0 309.370 1.437 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[N@@H+](C2CC2)C[C@H](C)C1 ZINC000820873754 704340990 /nfs/dbraw/zinc/34/09/90/704340990.db2.gz GUYKLJPLJCJWSS-NSHDSACASA-N 1 0 321.381 1.042 20 5 DDBDRO Cc1cc(C(=O)N2CC[NH2+][C@H](C(C)C)C2)c(N)c([N+](=O)[O-])c1 ZINC000856484882 704530731 /nfs/dbraw/zinc/53/07/31/704530731.db2.gz JDBFVVUFNILXCK-LBPRGKRZSA-N 1 0 306.366 1.555 20 5 DDBDRO Cc1cc(F)cc(C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)c1[N+](=O)[O-] ZINC000857008311 704546838 /nfs/dbraw/zinc/54/68/38/704546838.db2.gz GQROKXJULFFJTH-MEBBXXQBSA-N 1 0 307.325 1.996 20 5 DDBDRO Cc1c(C(=O)NC2CC([NH+](C)C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000857231795 704567271 /nfs/dbraw/zinc/56/72/71/704567271.db2.gz TZFOOZIWGNRKPC-UHFFFAOYSA-N 1 0 322.321 1.634 20 5 DDBDRO C[C@H]1C[N@H+](CCO)CCN1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000832783685 706983422 /nfs/dbraw/zinc/98/34/22/706983422.db2.gz SYZGQGGXXKCBNZ-NSHDSACASA-N 1 0 324.337 1.001 20 5 DDBDRO CO[C@@H](C[NH3+])Cc1nc(Cc2cccc([N+](=O)[O-])c2C)no1 ZINC000822862560 705063482 /nfs/dbraw/zinc/06/34/82/705063482.db2.gz KWASWHRMBFKVBH-LLVKDONJSA-N 1 0 306.322 1.393 20 5 DDBDRO CC[C@H]1[NH2+]CC[C@@H]1c1nc(Cc2ccc([N+](=O)[O-])cn2)no1 ZINC000822864044 705064018 /nfs/dbraw/zinc/06/40/18/705064018.db2.gz WWORJHYPBBAJCG-NWDGAFQWSA-N 1 0 303.322 1.819 20 5 DDBDRO Cc1cc(C(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3C)c(N)c([N+](=O)[O-])c1 ZINC000874839116 705194993 /nfs/dbraw/zinc/19/49/93/705194993.db2.gz TUIMWCDHTLGSAI-CHWSQXEVSA-N 1 0 318.377 1.794 20 5 DDBDRO CCc1n[nH]c(C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)c1[N+](=O)[O-] ZINC000874842037 705196947 /nfs/dbraw/zinc/19/69/47/705196947.db2.gz ZNFYMKGSWSYDER-MNOVXSKESA-N 1 0 307.354 1.189 20 5 DDBDRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000874843459 705198558 /nfs/dbraw/zinc/19/85/58/705198558.db2.gz NMZLDTOULMOHFI-LSDHHAIUSA-N 1 0 318.377 1.702 20 5 DDBDRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000874850679 705202988 /nfs/dbraw/zinc/20/29/88/705202988.db2.gz VUUDOEHAABRUPN-GJZGRUSLSA-N 1 0 303.362 1.832 20 5 DDBDRO CNc1ccc(-c2nc(N3CC[NH2+]CC3)no2)cc1[N+](=O)[O-] ZINC000823347801 705215520 /nfs/dbraw/zinc/21/55/20/705215520.db2.gz WNTPEYGFOQBZLN-UHFFFAOYSA-N 1 0 304.310 1.096 20 5 DDBDRO CC[C@H]1C[N@H+](C)CCN1C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823933805 705341889 /nfs/dbraw/zinc/34/18/89/705341889.db2.gz WSPGPHDGCGSROW-NSHDSACASA-N 1 0 307.354 1.735 20 5 DDBDRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823968265 705346904 /nfs/dbraw/zinc/34/69/04/705346904.db2.gz NHIWTVYXONFKSY-CQSZACIVSA-N 1 0 321.381 1.981 20 5 DDBDRO CC(C)CN(CC[NH+](C)C)C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825721418 705721725 /nfs/dbraw/zinc/72/17/25/705721725.db2.gz NBZCVADUDQAJEM-HNNXBMFYSA-N 1 0 323.393 1.674 20 5 DDBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876613021 705784421 /nfs/dbraw/zinc/78/44/21/705784421.db2.gz FQDBDRFAJPTQOC-ZBFHGGJFSA-N 1 0 303.362 1.786 20 5 DDBDRO [NH3+]C[C@@H]1[C@H](C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1(F)F ZINC000876703152 705826841 /nfs/dbraw/zinc/82/68/41/705826841.db2.gz IVDUKEUXPLTXFA-PSASIEDQSA-N 1 0 319.695 1.704 20 5 DDBDRO C[NH2+]CCN(C)C(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000876791230 705877915 /nfs/dbraw/zinc/87/79/15/705877915.db2.gz GQMWUIRDCUKYDD-UHFFFAOYSA-N 1 0 316.155 1.649 20 5 DDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@@H](O)c3ccccc3F)C2)c1 ZINC000876958670 705938917 /nfs/dbraw/zinc/93/89/17/705938917.db2.gz AIRAXEZTLVCRAX-QKFMDRJYSA-N 1 0 320.324 1.957 20 5 DDBDRO CN(CC[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)C1CCCC1 ZINC000877015690 705959624 /nfs/dbraw/zinc/95/96/24/705959624.db2.gz ZXGMWLZAYMDMOG-UHFFFAOYSA-N 1 0 307.398 1.959 20 5 DDBDRO C[N@@H+]1CC[C@H]2CN(C(=O)COc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000827363508 705985597 /nfs/dbraw/zinc/98/55/97/705985597.db2.gz BBEAWCZSVYSKJX-SWLSCSKDSA-N 1 0 319.361 1.526 20 5 DDBDRO C[C@H]([NH3+])CN(C)C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000877106469 705985728 /nfs/dbraw/zinc/98/57/28/705985728.db2.gz XLDIPCSWVHMXAJ-ZETCQYMHSA-N 1 0 303.721 1.735 20 5 DDBDRO CC(C)[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC[N@@H+]1C ZINC000827491089 706013078 /nfs/dbraw/zinc/01/30/78/706013078.db2.gz LXTGZYALLQDBLD-CQSZACIVSA-N 1 0 324.356 1.728 20 5 DDBDRO Cc1c(CC(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)cccc1[N+](=O)[O-] ZINC000877373734 706084862 /nfs/dbraw/zinc/08/48/62/706084862.db2.gz HEPOMSREQIHSDM-XJKSGUPXSA-N 1 0 303.362 1.514 20 5 DDBDRO CCc1ccc(C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)cc1[N+](=O)[O-] ZINC000877375077 706085373 /nfs/dbraw/zinc/08/53/73/706085373.db2.gz NGVHCSLMNUHHHS-XJKSGUPXSA-N 1 0 303.362 1.839 20 5 DDBDRO O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)[C@@]1(F)CC[NH2+]C1 ZINC000827953874 706092885 /nfs/dbraw/zinc/09/28/85/706092885.db2.gz UYRMSMQBYXWBJP-CQSZACIVSA-N 1 0 319.296 1.625 20 5 DDBDRO CC(C)(C)N1CC[C@H]1C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877619565 706161698 /nfs/dbraw/zinc/16/16/98/706161698.db2.gz DIOQLAZUPCSQIR-CPCZMJQVSA-N 1 0 307.398 1.957 20 5 DDBDRO COCC[N@H+](C)CCCNc1cc(F)c([N+](=O)[O-])cc1CO ZINC000865443260 706432661 /nfs/dbraw/zinc/43/26/61/706432661.db2.gz WQIZFENPLDEWOC-UHFFFAOYSA-N 1 0 315.345 1.606 20 5 DDBDRO CC[N@@H+]1CCCN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])CC1 ZINC000865619160 706479332 /nfs/dbraw/zinc/47/93/32/706479332.db2.gz DCRQJOJEMOCCMO-UHFFFAOYSA-N 1 0 309.341 1.831 20 5 DDBDRO C[NH+](C)C[C@]1(O)CCCN(c2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000865924723 706565469 /nfs/dbraw/zinc/56/54/69/706565469.db2.gz VHTGZXXVECOODC-CQSZACIVSA-N 1 0 315.320 1.766 20 5 DDBDRO C[C@@H]1CC[C@H](CO)[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000880442928 706978106 /nfs/dbraw/zinc/97/81/06/706978106.db2.gz YGCZCILROIFFOZ-MRVWCRGKSA-N 1 0 310.350 1.180 20 5 DDBDRO Cc1c(C(=O)N[C@@H](C)[C@@H](C)[NH3+])cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000834821135 707129666 /nfs/dbraw/zinc/12/96/66/707129666.db2.gz KTBYEAMSVYRAHC-BDAKNGLRSA-N 1 0 310.310 1.585 20 5 DDBDRO C[C@@H]([NH2+]C[C@H]1CCS(=O)(=O)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872019336 707281652 /nfs/dbraw/zinc/28/16/52/707281652.db2.gz WBXPFASTVMMYIX-NXEZZACHSA-N 1 0 316.354 1.819 20 5 DDBDRO CC[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)C(=O)N1CCOCC1 ZINC000873072865 707719696 /nfs/dbraw/zinc/71/96/96/707719696.db2.gz CQJMLOOPQWUDPS-CQSZACIVSA-N 1 0 321.377 1.630 20 5 DDBDRO CC[N@@H+]1CC[C@@H]1CNc1ccc(CC(=O)OC)cc1[N+](=O)[O-] ZINC000882959840 707873952 /nfs/dbraw/zinc/87/39/52/707873952.db2.gz RSHDPONSCPBRBF-GFCCVEGCSA-N 1 0 307.350 1.816 20 5 DDBDRO CC[N@@H+]1CC[C@@H]1CNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000882961266 707874509 /nfs/dbraw/zinc/87/45/09/707874509.db2.gz JPTJIVQCRWTBJW-CYBMUJFWSA-N 1 0 318.377 1.993 20 5 DDBDRO Nc1c(F)c(N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)ccc1[N+](=O)[O-] ZINC000897221447 708259504 /nfs/dbraw/zinc/25/95/04/708259504.db2.gz NBLFYSJHYRECOP-GHMZBOCLSA-N 1 0 324.356 1.352 20 5 DDBDRO C[NH+](C)C[C@@H](CO)Nc1cccc(C(F)(F)F)c1[N+](=O)[O-] ZINC000884509080 708318739 /nfs/dbraw/zinc/31/87/39/708318739.db2.gz WCGZVPOSWJJKOV-QMMMGPOBSA-N 1 0 307.272 1.948 20 5 DDBDRO C[N@H+](CCO)CCNc1c(Br)cccc1[N+](=O)[O-] ZINC000884826289 708388678 /nfs/dbraw/zinc/38/86/78/708388678.db2.gz VIAUHOMUVUYBJB-UHFFFAOYSA-N 1 0 318.171 1.693 20 5 DDBDRO C[N@@H+]1CCC[C@@H](N2CCN(Cc3cccnc3[N+](=O)[O-])CC2)C1 ZINC000886067792 708691776 /nfs/dbraw/zinc/69/17/76/708691776.db2.gz OXGMZINZUUOLIQ-OAHLLOKOSA-N 1 0 319.409 1.202 20 5 DDBDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3cccnc3[N+](=O)[O-])[C@H]2C1 ZINC000886208179 708715260 /nfs/dbraw/zinc/71/52/60/708715260.db2.gz XYPRVEMGSLNQCV-KKUMJFAQSA-N 1 0 318.377 1.726 20 5 DDBDRO C[N@@H+]1C[C@@H]2CN(C(=O)Cc3ccc([N+](=O)[O-])cc3)C[C@]2(C)C1 ZINC000887939236 709173560 /nfs/dbraw/zinc/17/35/60/709173560.db2.gz WFWNGMVHAINJTE-CJNGLKHVSA-N 1 0 303.362 1.547 20 5 DDBDRO O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912917902 713124190 /nfs/dbraw/zinc/12/41/90/713124190.db2.gz PRVLNLBXVBMFEQ-GFCCVEGCSA-N 1 0 314.345 1.996 20 5 DDBDRO O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912924499 713126764 /nfs/dbraw/zinc/12/67/64/713126764.db2.gz WWJMMJXWWGMIQH-LBPRGKRZSA-N 1 0 314.345 1.996 20 5 DDBDRO COc1c(C(=O)N[C@]2(C)C[NH+]3CCC2CC3)cccc1[N+](=O)[O-] ZINC000892768562 710495336 /nfs/dbraw/zinc/49/53/36/710495336.db2.gz KDESGQHDEXGTAL-MRXNPFEDSA-N 1 0 319.361 1.818 20 5 DDBDRO C[C@H]1[C@@H](NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC[N@@H+]1C ZINC000928444790 713198902 /nfs/dbraw/zinc/19/89/02/713198902.db2.gz MLGGHNJTRINTNB-ONGXEEELSA-N 1 0 302.334 1.899 20 5 DDBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H]1C[NH2+]CC1(C)C ZINC000902445878 710757027 /nfs/dbraw/zinc/75/70/27/710757027.db2.gz NCPKVORKZZBPKK-RISCZKNCSA-N 1 0 320.393 1.900 20 5 DDBDRO CCOc1ccc(C(=O)NC[C@@H]2CC[N@@H+]2CC)cc1[N+](=O)[O-] ZINC000893872774 710867022 /nfs/dbraw/zinc/86/70/22/710867022.db2.gz VFTKPFOEBANLGB-LBPRGKRZSA-N 1 0 307.350 1.818 20 5 DDBDRO C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000911737104 710958759 /nfs/dbraw/zinc/95/87/59/710958759.db2.gz YKSRXNIKCYXOTR-BPLDGKMQSA-N 1 0 303.362 1.909 20 5 DDBDRO C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000911866672 711040963 /nfs/dbraw/zinc/04/09/63/711040963.db2.gz AUYDOHJXGDRSGT-SOUVJXGZSA-N 1 0 303.362 1.909 20 5 DDBDRO C[N@@H+]1CC[C@@H]1CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000928564230 713229608 /nfs/dbraw/zinc/22/96/08/713229608.db2.gz VOBQATULNRAPTI-CYBMUJFWSA-N 1 0 302.334 1.370 20 5 DDBDRO C[C@H](N[C@H]1CC[NH2+]C12CCC2)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000903464986 711134899 /nfs/dbraw/zinc/13/48/99/711134899.db2.gz COXRLIYMDAQRDP-FZMZJTMJSA-N 1 0 318.377 1.796 20 5 DDBDRO C[NH2+]CCN(C(C)C)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000903588928 711212095 /nfs/dbraw/zinc/21/20/95/711212095.db2.gz QHGGJOUCCMOUMC-UHFFFAOYSA-N 1 0 315.395 1.354 20 5 DDBDRO C[C@@H](Nc1c(F)cc([N+](=O)[O-])cc1F)[C@@H]1C[N@H+](C)CCN1C ZINC000895249499 711465779 /nfs/dbraw/zinc/46/57/79/711465779.db2.gz UVQBBJUJDQHKMM-RNCFNFMXSA-N 1 0 314.336 1.919 20 5 DDBDRO CN1CC[C@@H]1CNc1nc(NC[C@@H]2CC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000895770302 711601393 /nfs/dbraw/zinc/60/13/93/711601393.db2.gz LUBOMHMXXRLYHB-NWDGAFQWSA-N 1 0 320.397 1.222 20 5 DDBDRO CCO[C@@H](CNc1ccc(C(=O)NC)cc1[N+](=O)[O-])C[NH+](C)C ZINC000896118336 711678727 /nfs/dbraw/zinc/67/87/27/711678727.db2.gz SJLHCQDAZZFAEN-LBPRGKRZSA-N 1 0 324.381 1.333 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C1CN(C)CC[N@H+](C)C1 ZINC000905089701 711932874 /nfs/dbraw/zinc/93/28/74/711932874.db2.gz MLIKYRBONMPNMY-UHFFFAOYSA-N 1 0 320.393 1.644 20 5 DDBDRO CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]([NH2+]CC[N+](=O)[O-])C[C@@H]2C1 ZINC000905287235 711993326 /nfs/dbraw/zinc/99/33/26/711993326.db2.gz ZWCVPJBCJITIDG-XQQFMLRXSA-N 1 0 313.398 1.888 20 5 DDBDRO CCN1CC[C@@H]1C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000905443012 712039210 /nfs/dbraw/zinc/03/92/10/712039210.db2.gz XFWIQLAAHRZPND-ZIAGYGMSSA-N 1 0 309.366 1.018 20 5 DDBDRO C[C@@H]1C[NH2+]C[C@H]1Cn1cc(Br)cc([N+](=O)[O-])c1=O ZINC000905731412 712133699 /nfs/dbraw/zinc/13/36/99/712133699.db2.gz JJPXSIVINZERPP-SFYZADRCSA-N 1 0 316.155 1.375 20 5 DDBDRO CC(C)(CO)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000916572412 713458712 /nfs/dbraw/zinc/45/87/12/713458712.db2.gz GHJWHJXANNUUGU-UHFFFAOYSA-N 1 0 301.730 1.547 20 5 DDBDRO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@H+](CC[N+](=O)[O-])C1 ZINC000930032438 713739908 /nfs/dbraw/zinc/73/99/08/713739908.db2.gz QMTPTTGFHXABAF-RYUDHWBXSA-N 1 0 301.387 1.888 20 5 DDBDRO C[N@@H+]1CC[C@@H]1CNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000921420069 713764985 /nfs/dbraw/zinc/76/49/85/713764985.db2.gz SOGXMXMXETZVPT-LLVKDONJSA-N 1 0 312.757 1.752 20 5 DDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@@H]([NH+](C)C)[C@@H]1C ZINC000931047116 713990533 /nfs/dbraw/zinc/99/05/33/713990533.db2.gz XPXHTXONMTUPQS-YWPYICTPSA-N 1 0 320.393 1.946 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931281768 714056147 /nfs/dbraw/zinc/05/61/47/714056147.db2.gz XQEOWJWFGXRVSA-ATCWAGBWSA-N 1 0 318.377 1.334 20 5 DDBDRO CN1CC[C@H]1C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000922575516 714092200 /nfs/dbraw/zinc/09/22/00/714092200.db2.gz KGQLTPYNHKVURK-HNNXBMFYSA-N 1 0 315.377 1.789 20 5 DDBDRO C[C@](CO)([NH2+]CCO[C@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000931469800 714105258 /nfs/dbraw/zinc/10/52/58/714105258.db2.gz YCYUEJKNSRXBSW-LSDHHAIUSA-N 1 0 310.350 1.197 20 5 DDBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@]2(CCN(CC[N+](=O)[O-])C2)O1 ZINC000931704871 714165563 /nfs/dbraw/zinc/16/55/63/714165563.db2.gz RZYPANHCMONAFE-DOTOQJQBSA-N 1 0 319.405 1.629 20 5 DDBDRO C[C@H]1CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000932348339 714315719 /nfs/dbraw/zinc/31/57/19/714315719.db2.gz MVJBYCKZTWJVDC-JSGCOSHPSA-N 1 0 310.350 1.445 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000923359565 714326998 /nfs/dbraw/zinc/32/69/98/714326998.db2.gz RXZAGXSIGIZTCF-XNRPHZJLSA-N 1 0 321.377 1.018 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)CN[C@H]2CC[NH2+]C23CCC3)c1 ZINC000923397104 714340958 /nfs/dbraw/zinc/34/09/58/714340958.db2.gz ADOXCCQIDKJXNK-ZFWWWQNUSA-N 1 0 321.377 1.209 20 5 DDBDRO CCC1(CC)CNC(=O)[C@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000933291452 714555971 /nfs/dbraw/zinc/55/59/71/714555971.db2.gz WXYLSOPLVIYSMJ-CQSZACIVSA-N 1 0 321.377 1.868 20 5 DDBDRO C/C(=C\C(=O)NC[C@@H]1C[C@@H](O)C[N@H+]1C)c1ccc([N+](=O)[O-])cc1 ZINC000924982052 714714914 /nfs/dbraw/zinc/71/49/14/714714914.db2.gz OPLBNAWKSQZRGY-PFYGFVOHSA-N 1 0 319.361 1.179 20 5 DDBDRO C[NH+]1CCC(OCC(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 ZINC000935118800 714982022 /nfs/dbraw/zinc/98/20/22/714982022.db2.gz RYLOQJKQEKUMMP-UHFFFAOYSA-N 1 0 321.377 1.364 20 5 DDBDRO COc1cc(N2CC3(C2)CC[N@H+](CC2CC2)C3)ncc1[N+](=O)[O-] ZINC001164773987 721286057 /nfs/dbraw/zinc/28/60/57/721286057.db2.gz VGILHUZKWZYALY-UHFFFAOYSA-N 1 0 318.377 1.921 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N1CCC[C@@H]([NH+](C)C)C1 ZINC001165037725 721886725 /nfs/dbraw/zinc/88/67/25/721886725.db2.gz ZWALGRUKCQDSFA-SNVBAGLBSA-N 1 0 308.338 1.307 20 5 DDBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1)c1cnon1 ZINC001020786188 732676421 /nfs/dbraw/zinc/67/64/21/732676421.db2.gz RCLJYWFVIOYHOB-KYZUINATSA-N 1 0 323.334 1.090 20 5 DDBDRO O=[N+]([O-])c1c[nH]c2nc(NCC[NH+]3CCSCC3)ccc12 ZINC001167833061 738956870 /nfs/dbraw/zinc/95/68/70/738956870.db2.gz XDDHNZSGXMYDKY-UHFFFAOYSA-N 1 0 307.379 1.932 20 5 DDBDRO CCOC(=O)c1ccc(NC(=N)SCC[NH3+])c([N+](=O)[O-])c1 ZINC001167911863 739307071 /nfs/dbraw/zinc/30/70/71/739307071.db2.gz GADWQQYEGZSPQP-UHFFFAOYSA-N 1 0 312.351 1.810 20 5 DDBDRO O=[N+]([O-])c1cc(Br)nc(N[C@H]2C[NH2+]CC[C@H]2F)c1 ZINC001168227040 741832099 /nfs/dbraw/zinc/83/20/99/741832099.db2.gz UGXRMBKZUAKKJH-SFYZADRCSA-N 1 0 319.134 1.864 20 5 DDBDRO CCCOc1cccc(C[NH2+]CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC001126936487 742841783 /nfs/dbraw/zinc/84/17/83/742841783.db2.gz KUOZPMFYYBVSGR-HUUCEWRRSA-N 1 0 321.377 1.346 20 5 DDBDRO CC[N@H+](C)[C@H]1CCN(C(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC001181840549 743361474 /nfs/dbraw/zinc/36/14/74/743361474.db2.gz TYWKWVDNYWLXLJ-ZDUSSCGKSA-N 1 0 321.377 1.699 20 5 DDBDRO O=[N+]([O-])c1cccnc1N1CCC([NH2+]C2CCOCC2)CC1 ZINC001120875401 744529400 /nfs/dbraw/zinc/52/94/00/744529400.db2.gz UOZCZSFTDJJDRY-UHFFFAOYSA-N 1 0 306.366 1.727 20 5 DDBDRO CC[NH+](CC)[C@H]1CCN(C(=O)c2[nH]nc([N+](=O)[O-])c2Cl)C1 ZINC001137108604 749325856 /nfs/dbraw/zinc/32/58/56/749325856.db2.gz HBPAKIDDWGQSHO-QMMMGPOBSA-N 1 0 315.761 1.528 20 5 DDBDRO Cc1ncsc1C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000996428427 749586084 /nfs/dbraw/zinc/58/60/84/749586084.db2.gz CKMCACLDZIUYRD-VXGBXAGGSA-N 1 0 324.406 1.197 20 5 DDBDRO CCC(=O)NCC[NH+]1CCC(Nc2ccccc2[N+](=O)[O-])CC1 ZINC001111309117 750443701 /nfs/dbraw/zinc/44/37/01/750443701.db2.gz FAZSGVBTIRAXOC-UHFFFAOYSA-N 1 0 320.393 1.997 20 5 DDBDRO O=C(N[C@H]1CC[C@H]([NH2+]CC2CCCC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001034644453 750626256 /nfs/dbraw/zinc/62/62/56/750626256.db2.gz HCAUXOFNZHRTEC-KBUPBQIOSA-N 1 0 309.410 1.859 20 5 DDBDRO O=C(CCc1c[nH]cn1)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001128986006 750681107 /nfs/dbraw/zinc/68/11/07/750681107.db2.gz AZQFVTARDLSEES-UHFFFAOYSA-N 1 0 323.378 1.218 20 5 DDBDRO [NH3+]CCc1cnn(-c2ccc3cc(F)cc([N+](=O)[O-])c3n2)c1 ZINC001168946501 762135898 /nfs/dbraw/zinc/13/58/98/762135898.db2.gz KWAASLRDRITIPV-UHFFFAOYSA-N 1 0 301.281 1.969 20 5 DDBDRO O=C(NCC[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)Nc1ccccc1 ZINC001168979547 762148711 /nfs/dbraw/zinc/14/87/11/762148711.db2.gz ZDRSSGPGJOEOTR-OCCSQVGLSA-N 1 0 306.366 1.843 20 5 DDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2cccc(OC3COC3)c2)C1 ZINC001168974468 762164135 /nfs/dbraw/zinc/16/41/35/762164135.db2.gz QNRIMUYIGHOOJZ-KBPBESRZSA-N 1 0 306.362 1.999 20 5 DDBDRO O=C1COc2ccc(C[NH2+][C@@H]3CC[C@@H](C[N+](=O)[O-])C3)cc2N1 ZINC001169003038 762172580 /nfs/dbraw/zinc/17/25/80/762172580.db2.gz MNNSVTJKPOSIQT-VXGBXAGGSA-N 1 0 305.334 1.553 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2ccc(-n3ccnn3)cc2)C1 ZINC001169001508 762172594 /nfs/dbraw/zinc/17/25/94/762172594.db2.gz GQHXOVDSSKEYTJ-KGLIPLIRSA-N 1 0 301.350 1.802 20 5 DDBDRO CC(=O)N1CCC2(C1)CC[NH+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169010118 762178044 /nfs/dbraw/zinc/17/80/44/762178044.db2.gz BFMORDFQNXKUHC-HUUCEWRRSA-N 1 0 309.410 1.766 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CCOc2ccc3c(c2)OCO3)C1 ZINC001168986806 762179853 /nfs/dbraw/zinc/17/98/53/762179853.db2.gz ZRTLONOXQNGQNP-NEPJUHHUSA-N 1 0 308.334 1.829 20 5 DDBDRO O=C(c1cccnc1)N1CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169036170 762191773 /nfs/dbraw/zinc/19/17/73/762191773.db2.gz FNLISIKGOOBCLJ-ZFWWWQNUSA-N 1 0 318.377 1.285 20 5 DDBDRO CN(C)C1=NOC2(C1)CC[NH+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169023712 762200867 /nfs/dbraw/zinc/20/08/67/762200867.db2.gz PUTAORSXNHZTNF-STQMWFEESA-N 1 0 310.398 1.562 20 5 DDBDRO O=C([C@@H]1CCCC[N@H+]1[C@H]1CC[C@H](C[N+](=O)[O-])C1)N1CCCC1 ZINC001169024993 762202503 /nfs/dbraw/zinc/20/25/03/762202503.db2.gz IKACOTZHJRNTKI-KKUMJFAQSA-N 1 0 309.410 1.909 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H](N(c2ccncn2)C2CC[NH2+]CC2)C1 ZINC001169053927 762208962 /nfs/dbraw/zinc/20/89/62/762208962.db2.gz KMIRFBZCQKFKIW-TZMCWYRMSA-N 1 0 305.382 1.480 20 5 DDBDRO COC(=O)Cc1ccc(-n2ccc([C@H](C)[NH3+])n2)cc1[N+](=O)[O-] ZINC001169232493 762293324 /nfs/dbraw/zinc/29/33/24/762293324.db2.gz FWUGKJVSCLKBMP-VIFPVBQESA-N 1 0 304.306 1.516 20 5 DDBDRO CCOC(=O)c1ccc(-n2ccc([C@H](C)[NH3+])n2)c([N+](=O)[O-])c1 ZINC001169235649 762300247 /nfs/dbraw/zinc/30/02/47/762300247.db2.gz YXCMKUINHDZDAD-VIFPVBQESA-N 1 0 304.306 1.977 20 5 DDBDRO COc1ncc([N+](=O)[O-])c(N2CCCc3ccc(C[NH3+])nc32)n1 ZINC001169584498 762544515 /nfs/dbraw/zinc/54/45/15/762544515.db2.gz QXLYECDOMZWKKE-UHFFFAOYSA-N 1 0 316.321 1.331 20 5 DDBDRO C[NH+](C)CCOCCNC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001119386743 757471948 /nfs/dbraw/zinc/47/19/48/757471948.db2.gz RMESQEBFMSDNCM-UHFFFAOYSA-N 1 0 314.317 1.434 20 5 DDBDRO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)C1CC1 ZINC001086009436 760713010 /nfs/dbraw/zinc/71/30/10/760713010.db2.gz HRNPMGZOJJJNHU-XBXGTLAGSA-N 1 0 303.362 1.989 20 5 DDBDRO O=C(NC[C@H]1C[C@H]([NH2+]CCC2CCCC2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001086363736 761499712 /nfs/dbraw/zinc/49/97/12/761499712.db2.gz ICMUPYPDWRBNDT-KBUPBQIOSA-N 1 0 309.410 1.716 20 5 DDBDRO CC(=O)N1CCC[C@@H](CNc2cc3c(cc2[N+](=O)[O-])C[NH2+]C3)C1 ZINC001168779012 761754818 /nfs/dbraw/zinc/75/48/18/761754818.db2.gz FZWYNENUZVEWRH-LBPRGKRZSA-N 1 0 318.377 1.868 20 5 DDBDRO CCC[N@H+](C)CC(=O)N(C)CCCNc1ncccc1[N+](=O)[O-] ZINC001109496377 763754974 /nfs/dbraw/zinc/75/49/74/763754974.db2.gz RQEIRQBWVSQSLM-UHFFFAOYSA-N 1 0 323.397 1.592 20 5 DDBDRO COc1ccnc(-n2nnc3ccc(C[NH3+])cc32)c1[N+](=O)[O-] ZINC001170017508 763974038 /nfs/dbraw/zinc/97/40/38/763974038.db2.gz SCNJUWJSOZXGLG-UHFFFAOYSA-N 1 0 300.278 1.191 20 5 DDBDRO CSc1nc(Cl)c([N+](=O)[O-])c(-n2ccc(CC[NH3+])n2)n1 ZINC001156898286 764049261 /nfs/dbraw/zinc/04/92/61/764049261.db2.gz JJKDINLVRWLPIX-UHFFFAOYSA-N 1 0 314.758 1.447 20 5 DDBDRO Cc1ccc(CN2CC(N(C)C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cc1 ZINC001042704939 764372707 /nfs/dbraw/zinc/37/27/07/764372707.db2.gz CLGUNFQJTDKVTA-HUUCEWRRSA-N 1 0 303.362 1.303 20 5 DDBDRO CCOC(=O)c1cc(N[C@@H](C)[C@H]2C[NH2+]CCO2)ccc1[N+](=O)[O-] ZINC001170574707 768225653 /nfs/dbraw/zinc/22/56/53/768225653.db2.gz NYVKHNDMPGVFKD-IINYFYTJSA-N 1 0 323.349 1.560 20 5 DDBDRO CC[N@@H+]1CCc2c(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])cccc2C1 ZINC001051289080 764717260 /nfs/dbraw/zinc/71/72/60/764717260.db2.gz CVKYGMBZUBQUMN-HUUCEWRRSA-N 1 0 303.362 1.346 20 5 DDBDRO CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNc2cnc(F)c([N+](=O)[O-])c2)O1 ZINC001170285076 766238572 /nfs/dbraw/zinc/23/85/72/766238572.db2.gz VDEFPIVOYWXTLK-NQBHXWOUSA-N 1 0 314.317 1.266 20 5 DDBDRO COc1ccc(C[C@H](C)[NH2+]C[C@H]2CCC(=O)NC2)c([N+](=O)[O-])c1 ZINC001170308779 766259413 /nfs/dbraw/zinc/25/94/13/766259413.db2.gz ORTMJDRZQIWXGU-NWDGAFQWSA-N 1 0 321.377 1.650 20 5 DDBDRO Cc1c(CC[NH3+])c(=O)[nH]n1-c1ncc2cccc([N+](=O)[O-])c2n1 ZINC001170337895 766270712 /nfs/dbraw/zinc/27/07/12/766270712.db2.gz IRJSPOXWRNBZID-UHFFFAOYSA-N 1 0 314.305 1.239 20 5 DDBDRO COc1ccc(C[C@H](C)[N@H+](C)CCC(=O)N(C)C)c([N+](=O)[O-])c1 ZINC001170352041 766279973 /nfs/dbraw/zinc/27/99/73/766279973.db2.gz KFWLEMIZZBISDF-LBPRGKRZSA-N 1 0 323.393 1.945 20 5 DDBDRO CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[NH+](Cc2cncs2)CC1 ZINC001045437273 766305787 /nfs/dbraw/zinc/30/57/87/766305787.db2.gz KZODUJRBLJGQFD-VXGBXAGGSA-N 1 0 324.406 1.279 20 5 DDBDRO CCc1nocc1C(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001133484946 769905288 /nfs/dbraw/zinc/90/52/88/769905288.db2.gz NOIXGEOKWGALOI-UHFFFAOYSA-N 1 0 318.333 1.665 20 5 DDBDRO Cc1ccn(CC(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)n1 ZINC001134002129 770537870 /nfs/dbraw/zinc/53/78/70/770537870.db2.gz KGWYPKQEXJGGPB-UHFFFAOYSA-N 1 0 317.349 1.006 20 5 DDBDRO CC(C)([NH3+])CNc1cc([N+](=O)[O-])cc(Br)[n+]1[O-] ZINC001171192279 772550241 /nfs/dbraw/zinc/55/02/41/772550241.db2.gz AOMMRAKAWRTMSK-UHFFFAOYSA-N 1 0 305.132 1.140 20 5 DDBDRO O=C(CC[NH+]1CCCCC1)NCCNc1ncccc1[N+](=O)[O-] ZINC001093686343 774980397 /nfs/dbraw/zinc/98/03/97/774980397.db2.gz HCHGLJPLBWVCGG-UHFFFAOYSA-N 1 0 321.381 1.394 20 5 DDBDRO CC[N@H+](C)CCC(=O)NCCCNc1ncc(C)cc1[N+](=O)[O-] ZINC001094574362 776049913 /nfs/dbraw/zinc/04/99/13/776049913.db2.gz VDORCKLAYBTALG-UHFFFAOYSA-N 1 0 323.397 1.558 20 5 DDBDRO CCN(CCNC(=O)C[NH+]1CCCC1)c1ccc([N+](=O)[O-])cn1 ZINC001100534397 776279926 /nfs/dbraw/zinc/27/99/26/776279926.db2.gz DKMNWOZLNLZYJS-UHFFFAOYSA-N 1 0 321.381 1.028 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@H+]1CC[C@H](O)[C@H](CO)C1)CC2 ZINC001172903302 776915937 /nfs/dbraw/zinc/91/59/37/776915937.db2.gz GNVMATFAQXNDJV-UXLLHSPISA-N 1 0 320.389 1.517 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@H+]1C[C@H](O)C[C@@H]1CO)CC2 ZINC001172908885 776917987 /nfs/dbraw/zinc/91/79/87/776917987.db2.gz AZJVLYNMDYOMSZ-NUEKZKHPSA-N 1 0 306.362 1.270 20 5 DDBDRO CN1CCO[C@@H](C[NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172895217 776928083 /nfs/dbraw/zinc/92/80/83/776928083.db2.gz AYIGQSIEDYMMOK-WBVHZDCISA-N 1 0 319.405 1.762 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@@H]2CCNC2=O)c1F ZINC001173175623 777034360 /nfs/dbraw/zinc/03/43/60/777034360.db2.gz CAIZCIOBMMOJAP-PSASIEDQSA-N 1 0 311.313 1.152 20 5 DDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@]1(CN)CN2CCC1CC2 ZINC001173221632 777054108 /nfs/dbraw/zinc/05/41/08/777054108.db2.gz OENSAIYDLBKBPL-SUMWQHHRSA-N 1 0 318.421 1.539 20 5 DDBDRO CC(C)(C[NH2+]CCF)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001101540566 777231113 /nfs/dbraw/zinc/23/11/13/777231113.db2.gz JUOJAXBZMSPKCC-CHWSQXEVSA-N 1 0 315.389 1.476 20 5 DDBDRO CC[NH2+]C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001173689978 777318610 /nfs/dbraw/zinc/31/86/10/777318610.db2.gz JPYBEVAQARIVEE-UHFFFAOYSA-N 1 0 313.379 1.357 20 5 DDBDRO Cc1cc(NCCN(C)C(=O)C[NH+]2CCCC2)ncc1[N+](=O)[O-] ZINC001101633535 777330039 /nfs/dbraw/zinc/33/00/39/777330039.db2.gz XDZFEPNWDOKNEX-UHFFFAOYSA-N 1 0 321.381 1.264 20 5 DDBDRO CCC[N@H+](C)CC(=O)N(C)CCNc1ccccc1[N+](=O)[O-] ZINC001101704707 777415080 /nfs/dbraw/zinc/41/50/80/777415080.db2.gz XWFNQPSJONLTKV-UHFFFAOYSA-N 1 0 308.382 1.807 20 5 DDBDRO CCC[N@H+](C)CCC(=O)N(C)CCNc1ncccc1[N+](=O)[O-] ZINC001101712982 777424593 /nfs/dbraw/zinc/42/45/93/777424593.db2.gz WATDPNYZBWRQRD-UHFFFAOYSA-N 1 0 323.397 1.592 20 5 DDBDRO O=C(NCC1=CC[NH2+]CC1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001118032321 780996780 /nfs/dbraw/zinc/99/67/80/780996780.db2.gz LQUGYBKKFYIRER-UHFFFAOYSA-N 1 0 302.334 1.540 20 5 DDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC001119246104 781378390 /nfs/dbraw/zinc/37/83/90/781378390.db2.gz XWZLZCJTJNUWLQ-ZUZCIYMTSA-N 1 0 304.350 1.318 20 5 DDBDRO CCN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)c1cocn1 ZINC001268437891 840187395 /nfs/dbraw/zinc/18/73/95/840187395.db2.gz AXJALHISHHISGS-UHFFFAOYSA-N 1 0 318.333 1.835 20 5 DDBDRO Cc1cncc([N+](=O)[O-])c1NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC001326449238 861378993 /nfs/dbraw/zinc/37/89/93/861378993.db2.gz KWFAHXZEXWGBQC-UHFFFAOYSA-N 1 0 307.398 1.158 20 5 DDBDRO C[N@@H+]1CCC[C@H](c2nc(-c3ncc(F)cc3[N+](=O)[O-])no2)C1 ZINC001211877448 843253709 /nfs/dbraw/zinc/25/37/09/843253709.db2.gz PTLQFGAGJMKHNN-QMMMGPOBSA-N 1 0 307.285 1.988 20 5 DDBDRO O=C([C@H]1C[C@]12CCC[NH2+]C2)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001326784632 861608625 /nfs/dbraw/zinc/60/86/25/861608625.db2.gz XMMTWUYPGRFJTA-WBVHZDCISA-N 1 0 315.373 1.869 20 5 DDBDRO COc1nc(-n2cncc2C2CC[NH2+]CC2)ncc1[N+](=O)[O-] ZINC001155052632 861681501 /nfs/dbraw/zinc/68/15/01/861681501.db2.gz DQYBRLKRLDQBFD-UHFFFAOYSA-N 1 0 304.310 1.046 20 5 DDBDRO COC(=O)[C@H]([NH3+])C1CCN(c2ncc([N+](=O)[O-])cc2C)CC1 ZINC001155155222 861780767 /nfs/dbraw/zinc/78/07/67/861780767.db2.gz WUFCOVJEBGGXRR-GFCCVEGCSA-N 1 0 308.338 1.015 20 5 DDBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1-n1c2ccccc2nc1[C@@H](C)[NH3+] ZINC001155255766 861902770 /nfs/dbraw/zinc/90/27/70/861902770.db2.gz WMJXLKVRZOBAIZ-SNVBAGLBSA-N 1 0 313.317 1.895 20 5 DDBDRO COC(=O)[C@@H](Nc1cc(Cl)cc([N+](=O)[O-])n1)C(C)(C)[NH3+] ZINC001155369230 862002507 /nfs/dbraw/zinc/00/25/07/862002507.db2.gz RBVLLCAVYFLITA-SECBINFHSA-N 1 0 302.718 1.334 20 5 DDBDRO CCc1noc(C)c1C[NH2+]CCN(CC)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001273376077 849739764 /nfs/dbraw/zinc/73/97/64/849739764.db2.gz UOQXSRQURCAUGR-BXUZGUMPSA-N 1 0 324.381 1.149 20 5 DDBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001150119815 862099938 /nfs/dbraw/zinc/09/99/38/862099938.db2.gz LJLLJXDRMCAQIV-YMTOWFKASA-N 1 0 304.350 1.390 20 5 DDBDRO COc1cc(NCC[C@@H]2CCOC23C[NH2+]C3)ncc1[N+](=O)[O-] ZINC001155478371 862137114 /nfs/dbraw/zinc/13/71/14/862137114.db2.gz STEXQBDDXADNGH-SNVBAGLBSA-N 1 0 308.338 1.179 20 5 DDBDRO O=C1C[C@H]2[NH2+]CC[C@]2(Nc2ncc([N+](=O)[O-])c3ccccc23)N1 ZINC001155573204 862243550 /nfs/dbraw/zinc/24/35/50/862243550.db2.gz YWWDNHOGVOSEFC-IUODEOHRSA-N 1 0 313.317 1.133 20 5 DDBDRO O=[N+]([O-])c1cc(F)cnc1NC[C@@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001155592432 862267567 /nfs/dbraw/zinc/26/75/67/862267567.db2.gz OZFWDJHRLCMEIV-YGRLFVJLSA-N 1 0 310.329 1.700 20 5 DDBDRO Nc1nc(N[C@H]2CCCC[C@@]23C[NH2+]CCO3)ccc1[N+](=O)[O-] ZINC001155826742 862481687 /nfs/dbraw/zinc/48/16/87/862481687.db2.gz PSBYOLMJJACTSN-SMDDNHRTSA-N 1 0 307.354 1.285 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)c1 ZINC001122160135 858699965 /nfs/dbraw/zinc/69/99/65/858699965.db2.gz VXEFIAKZXPXTPH-NXEZZACHSA-N 1 0 317.267 1.865 20 5 DDBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001140146663 860583798 /nfs/dbraw/zinc/58/37/98/860583798.db2.gz IOEVCMKPKWHJDA-PWSUYJOCSA-N 1 0 319.365 1.271 20 5 DDBDRO CN(C)/C=C/c1cc(N[C@@H]2CCC(=O)N(C)C2)ncc1[N+](=O)[O-] ZINC001156566201 863153490 /nfs/dbraw/zinc/15/34/90/863153490.db2.gz CDZYXMQCYXICKT-NNNHXZLVSA-N 1 0 319.365 1.555 20 5 DDBDRO COC(=O)[C@@H](CCC[NH3+])Nc1nc(C)cc(Cl)c1[N+](=O)[O-] ZINC001157114958 863590547 /nfs/dbraw/zinc/59/05/47/863590547.db2.gz QZSVOSNZFLIRAY-SECBINFHSA-N 1 0 316.745 1.644 20 5 DDBDRO Nc1cc(-n2cc(CC[NH3+])c3cc(O)ccc32)ncc1[N+](=O)[O-] ZINC001157218063 863660480 /nfs/dbraw/zinc/66/04/80/863660480.db2.gz HVSSPKMBYIYMDG-UHFFFAOYSA-N 1 0 313.317 1.723 20 5 DDBDRO C[C@H]1CC[C@@H](NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C[NH2+]1 ZINC001330006691 864013813 /nfs/dbraw/zinc/01/38/13/864013813.db2.gz BKNSELMWIUBGNU-SMDDNHRTSA-N 1 0 318.377 1.803 20 5 DDBDRO CCC[NH+]1C[C@@H]2CN(c3cc(OC)c([N+](=O)[O-])cn3)C[C@H]2C1 ZINC001157691387 864053006 /nfs/dbraw/zinc/05/30/06/864053006.db2.gz PGXJEHMEKQSLBI-VXGBXAGGSA-N 1 0 306.366 1.776 20 5 DDBDRO O=C(NCCC[NH2+]Cc1ccc2c(c1)CCC2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157761048 864110838 /nfs/dbraw/zinc/11/08/38/864110838.db2.gz LCNUQFBIQUXXOU-HZPDHXFCSA-N 1 0 317.389 1.436 20 5 DDBDRO O=C(NCCC[NH2+]Cc1ccccc1Cl)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157767190 864117564 /nfs/dbraw/zinc/11/75/64/864117564.db2.gz IVONNWAVVPXBGZ-DGCLKSJQSA-N 1 0 311.769 1.601 20 5 DDBDRO COC(=O)c1cnc(N(CC[NH3+])c2cccnc2)c([N+](=O)[O-])c1 ZINC001157999839 864344900 /nfs/dbraw/zinc/34/49/00/864344900.db2.gz BPUZRUVEGLYUTG-UHFFFAOYSA-N 1 0 317.305 1.268 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc(C(F)(F)F)cn1 ZINC001225325058 881780631 /nfs/dbraw/zinc/78/06/31/881780631.db2.gz FMLZTFCAXJCZSY-SNVBAGLBSA-N 1 0 307.292 1.463 20 5 DDBDRO [NH3+]CCCCNC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC001331042681 864798367 /nfs/dbraw/zinc/79/83/67/864798367.db2.gz QDJVUDPQDKNPES-UHFFFAOYSA-N 1 0 316.155 1.826 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])cnc1NCC12CC[NH+](CC1)CC2 ZINC001158824804 864921617 /nfs/dbraw/zinc/92/16/17/864921617.db2.gz WZIATLCMQGFSAH-UHFFFAOYSA-N 1 0 320.349 1.674 20 5 DDBDRO COc1cc2c(cc1OC(=O)C[C@@H](O)C[N+](C)(C)C)C(=O)CC2 ZINC001225427046 881829458 /nfs/dbraw/zinc/82/94/58/881829458.db2.gz IRAOSYTZTZBESV-GFCCVEGCSA-N 1 0 322.381 1.187 20 5 DDBDRO O=[N+]([O-])c1cc2c(Cl)ncnc2cc1N[C@H]1C[NH2+]C[C@@H]1CO ZINC001159672320 865459264 /nfs/dbraw/zinc/45/92/64/865459264.db2.gz OKMDSOBNDAGXLL-HQJQHLMTSA-N 1 0 323.740 1.184 20 5 DDBDRO COc1nc(C)c([N+](=O)[O-])c(Nc2cccc(CC[NH3+])c2)n1 ZINC001161078997 866357286 /nfs/dbraw/zinc/35/72/86/866357286.db2.gz LLZBKIKAACCFBP-UHFFFAOYSA-N 1 0 303.322 1.947 20 5 DDBDRO C[NH+](C)[C@@H]1CC[C@@H]2CN(c3cc[nH]c(=O)c3[N+](=O)[O-])C[C@H]2C1 ZINC001333874920 867101117 /nfs/dbraw/zinc/10/11/17/867101117.db2.gz DCHXNAOIEJINDD-IJLUTSLNSA-N 1 0 306.366 1.862 20 5 DDBDRO CC1(C)C[NH2+]C[C@H](CNc2ncnc3cccc([N+](=O)[O-])c32)O1 ZINC001161956665 867141693 /nfs/dbraw/zinc/14/16/93/867141693.db2.gz ONDITSDXLAPJTN-SNVBAGLBSA-N 1 0 317.349 1.717 20 5 DDBDRO O=[N+]([O-])c1cc[n+]([O-])c(NC[C@@]2(F)CCCC[NH2+]C2)c1F ZINC001162580702 867660310 /nfs/dbraw/zinc/66/03/10/867660310.db2.gz WVSZWWKIYBXGPW-GFCCVEGCSA-N 1 0 302.281 1.261 20 5 DDBDRO C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC001325115193 867783693 /nfs/dbraw/zinc/78/36/93/867783693.db2.gz XGVSHYQASCROMJ-PWSUYJOCSA-N 1 0 307.354 1.406 20 5 DDBDRO O=[N+]([O-])c1ccc2ncc(NC[C@@H]3CC[NH2+]C[C@@H]3F)nc2c1 ZINC001162802175 867834869 /nfs/dbraw/zinc/83/48/69/867834869.db2.gz OESVDXHNLIMOFI-ONGXEEELSA-N 1 0 305.313 1.898 20 5 DDBDRO O=[N+]([O-])c1cc2cc[nH]c2c(N[C@@H]2COCCC23C[NH2+]C3)c1 ZINC001163074753 868058420 /nfs/dbraw/zinc/05/84/20/868058420.db2.gz ZGFAQTYVZSLAKS-CYBMUJFWSA-N 1 0 302.334 1.867 20 5 DDBDRO CCOc1cc(N[C@H]2COCCC23C[NH2+]C3)ccc1[N+](=O)[O-] ZINC001163079879 868063259 /nfs/dbraw/zinc/06/32/59/868063259.db2.gz CYJPCIXYVNBAJF-AWEZNQCLSA-N 1 0 307.350 1.784 20 5 DDBDRO COc1cccc(NCC[C@H]2CCOC23C[NH2+]C3)c1[N+](=O)[O-] ZINC001163088682 868078320 /nfs/dbraw/zinc/07/83/20/868078320.db2.gz GJVQROXCWWDFCW-NSHDSACASA-N 1 0 307.350 1.784 20 5 DDBDRO COc1ncc([N+](=O)[O-])cc1NCC[C@@H]1CCOC12C[NH2+]C2 ZINC001163090139 868080057 /nfs/dbraw/zinc/08/00/57/868080057.db2.gz RJTXTWYVSVKBFW-SNVBAGLBSA-N 1 0 308.338 1.179 20 5 DDBDRO C[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[NH+](C)CC1 ZINC001322404832 868154705 /nfs/dbraw/zinc/15/47/05/868154705.db2.gz RQKHKOIICWHEBY-LBPRGKRZSA-N 1 0 321.381 1.352 20 5 DDBDRO COc1cc(C)c([N+](=O)[O-])cc1NC[C@H]1OC[C@H]2C[NH2+]CC[C@H]21 ZINC001163171820 868186081 /nfs/dbraw/zinc/18/60/81/868186081.db2.gz OUWBJFUKVZWDAN-XHBSWPGZSA-N 1 0 321.377 1.948 20 5 DDBDRO O=C1C[C@@H]2[NH2+]CC[C@]2(Nc2cc([N+](=O)[O-])cc3cc[nH]c32)N1 ZINC001163253117 868261076 /nfs/dbraw/zinc/26/10/76/868261076.db2.gz YCCWKZRSLGZJRU-FZMZJTMJSA-N 1 0 301.306 1.066 20 5 DDBDRO Cc1cnc(NC[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)cc1[N+](=O)[O-] ZINC001163283302 868306793 /nfs/dbraw/zinc/30/67/93/868306793.db2.gz FOCBHTANJWGFKR-DOMZBBRYSA-N 1 0 306.366 1.869 20 5 DDBDRO COc1cccc([C@@H](C[NH3+])Nc2ncnc(OC)c2[N+](=O)[O-])c1 ZINC001163306033 868330544 /nfs/dbraw/zinc/33/05/44/868330544.db2.gz JVKGFJRMOOSWSF-LLVKDONJSA-N 1 0 319.321 1.514 20 5 DDBDRO O=[N+]([O-])c1ccc(Cl)nc1N[C@H]1CCO[C@@]2(CC[NH2+]C2)C1 ZINC001163322306 868349373 /nfs/dbraw/zinc/34/93/73/868349373.db2.gz HWKRAVGJEQQWDI-ZANVPECISA-N 1 0 312.757 1.966 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])cc1N[C@H]1C[NH+]2CCC1CC2 ZINC001163393456 868411990 /nfs/dbraw/zinc/41/19/90/868411990.db2.gz ZIKGHIZUCTXTAW-AWEZNQCLSA-N 1 0 305.334 1.888 20 5 DDBDRO COC1(OC)CC(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001336748069 869122216 /nfs/dbraw/zinc/12/22/16/869122216.db2.gz DEEOOSUEZOXELY-AWEZNQCLSA-N 1 0 310.350 1.617 20 5 DDBDRO O=[N+]([O-])c1ccnc(N2CC[NH+](CCc3ccncc3)CC2)c1 ZINC001165059117 869358107 /nfs/dbraw/zinc/35/81/07/869358107.db2.gz SMYMPPWZTRIMDD-UHFFFAOYSA-N 1 0 313.361 1.750 20 5 DDBDRO C[N@H+](C1CN(c2cc(Cl)ncc2[N+](=O)[O-])C1)[C@@H]1CCOC1 ZINC001165203939 869426893 /nfs/dbraw/zinc/42/68/93/869426893.db2.gz NSDUFRXZJPCZIO-SECBINFHSA-N 1 0 312.757 1.553 20 5 DDBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N2CCC(F)(C[NH3+])CC2)n1 ZINC001165263298 869476848 /nfs/dbraw/zinc/47/68/48/869476848.db2.gz WGOYMRQMOUTIGZ-UHFFFAOYSA-N 1 0 303.725 1.614 20 5 DDBDRO Cc1nc2c(n1-c1nc(Cl)ncc1[N+](=O)[O-])CC[NH2+]CC2 ZINC001165352492 869539772 /nfs/dbraw/zinc/53/97/72/869539772.db2.gz VTTWZNIFBYUPOI-UHFFFAOYSA-N 1 0 308.729 1.221 20 5 DDBDRO COCCN1CCC[C@@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001338420814 869970843 /nfs/dbraw/zinc/97/08/43/869970843.db2.gz YTECFZKAXANHBP-ZBFHGGJFSA-N 1 0 323.393 1.329 20 5 DDBDRO CN1CC[C@H](Nc2ccc([N+](=O)[O-])c(OCC[NH+](C)C)c2)C1=O ZINC001166686562 870152844 /nfs/dbraw/zinc/15/28/44/870152844.db2.gz SIOOBCVQLQYQER-LBPRGKRZSA-N 1 0 322.365 1.178 20 5 DDBDRO Cc1c(C)c(-n2ccc([C@@H]3CCC[NH2+]3)nc2=N)ncc1[N+](=O)[O-] ZINC001166701873 870169872 /nfs/dbraw/zinc/16/98/72/870169872.db2.gz UVBAOIJVLOJWKQ-NSHDSACASA-N 1 0 314.349 1.696 20 5 DDBDRO COC(=O)[C@@H]1C[C@@H]([NH3+])CN1c1ncc([N+](=O)[O-])c2ccccc21 ZINC001166963034 870427248 /nfs/dbraw/zinc/42/72/48/870427248.db2.gz FNIWFZUXSUWAED-SKDRFNHKSA-N 1 0 316.317 1.222 20 5 DDBDRO CC(C)(C)[C@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)CCO1 ZINC001308169392 871477677 /nfs/dbraw/zinc/47/76/77/871477677.db2.gz XQDKCRYCKLZLQH-CQSZACIVSA-N 1 0 323.393 1.894 20 5 DDBDRO COc1c(O)ccc(CN2CC[C@]3(CNC(=O)C3)C2)c1[N+](=O)[O-] ZINC001308724958 871520491 /nfs/dbraw/zinc/52/04/91/871520491.db2.gz QGNFAWQSTJNTSN-HNNXBMFYSA-N 1 0 321.333 1.021 20 5 DDBDRO Cc1cncc([N+](=O)[O-])c1NC(=O)N1CCC[NH2+]C(C)(C)C1 ZINC001310520908 871639219 /nfs/dbraw/zinc/63/92/19/871639219.db2.gz BFPUBHGZUVFCPX-UHFFFAOYSA-N 1 0 307.354 1.326 20 5 DDBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCC[C@H]([NH2+]CCO)C1 ZINC001341477794 871674039 /nfs/dbraw/zinc/67/40/39/871674039.db2.gz SBVLELWPCLBBQA-GPAKFWEMSA-N 1 0 319.361 1.181 20 5 DDBDRO [NH3+][C@@H]1C[C@H](C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)[C@H]2C[C@H]21 ZINC001343341426 872588022 /nfs/dbraw/zinc/58/80/22/872588022.db2.gz YUVDKDYVDAMTNK-SRRSOLGSSA-N 1 0 309.753 1.848 20 5 DDBDRO C[NH+]1CCC(NC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001319500762 872663444 /nfs/dbraw/zinc/66/34/44/872663444.db2.gz QMPURJIYVFNEHP-UHFFFAOYSA-N 1 0 304.350 1.714 20 5 DDBDRO O=[N+]([O-])c1ccc(NCC[NH2+]C[C@@H](O)c2ccccn2)cc1 ZINC001346135497 873620442 /nfs/dbraw/zinc/62/04/42/873620442.db2.gz GESUEYHFNFRKST-OAHLLOKOSA-N 1 0 302.334 1.725 20 5 DDBDRO Cc1cc(C(=O)N2CC[C@@](O)(C[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC001347174165 874042579 /nfs/dbraw/zinc/04/25/79/874042579.db2.gz AKOSVHPDQCDBAC-OAHLLOKOSA-N 1 0 307.350 1.042 20 5 DDBDRO Cc1ccc(OC(=O)COC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC001347274449 874080393 /nfs/dbraw/zinc/08/03/93/874080393.db2.gz WPMGCJXGSDSFTQ-UHFFFAOYSA-N 1 0 308.334 1.919 20 5 DDBDRO C[C@H]1CN(C(=O)c2c([N+](=O)[O-])cnn2C)CC[N@@H+]1C1CCCC1 ZINC001350602888 875781477 /nfs/dbraw/zinc/78/14/77/875781477.db2.gz KMWUVPJAOGBRKF-NSHDSACASA-N 1 0 321.381 1.417 20 5 DDBDRO [NH3+]C[C@H](O)c1nc(-c2ccc3ccc4cccnc4c3n2)no1 ZINC001211418235 875796636 /nfs/dbraw/zinc/79/66/36/875796636.db2.gz VCMHDYPYJLMYSS-LBPRGKRZSA-N 1 0 307.313 1.825 20 5 DDBDRO CCN1C[C@@H](C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1=O ZINC001353297407 877235910 /nfs/dbraw/zinc/23/59/10/877235910.db2.gz FVKKAKMZFBBMKF-RISCZKNCSA-N 1 0 307.350 1.086 20 5 DDBDRO COC(=O)c1cc(O[C@@H]2CCC[NH2+]C2)c(OC)cc1[N+](=O)[O-] ZINC001218282223 877442142 /nfs/dbraw/zinc/44/21/42/877442142.db2.gz QTQNRJBYSPGKHR-SECBINFHSA-N 1 0 310.306 1.521 20 5 DDBDRO O=C(Nc1cc2cccnc2c2ncccc12)[C@H]1[NH2+]CC[C@H]1O ZINC001218980148 877850826 /nfs/dbraw/zinc/85/08/26/877850826.db2.gz UOISMHGZIHBXNW-CJNGLKHVSA-N 1 0 308.341 1.444 20 5 DDBDRO O=C(Nc1cc2cccnc2c2ncccc12)[C@H]1[NH2+]CC[C@@H]1O ZINC001218980147 877852018 /nfs/dbraw/zinc/85/20/18/877852018.db2.gz UOISMHGZIHBXNW-BBRMVZONSA-N 1 0 308.341 1.444 20 5 DDBDRO Cc1ccc(C(=O)N2CCC[C@H]([NH2+]CCO)C2)cc1[N+](=O)[O-] ZINC001354438009 877983220 /nfs/dbraw/zinc/98/32/20/877983220.db2.gz VQKHCWPQSQIVCW-ZDUSSCGKSA-N 1 0 307.350 1.090 20 5 DDBDRO O=[N+]([O-])c1cc2c(ncnc2N2CC([NH2+][C@@H]3CCOC3)C2)s1 ZINC001472888319 878324229 /nfs/dbraw/zinc/32/42/29/878324229.db2.gz HITQVWSGJWVXGT-MRVPVSSYSA-N 1 0 321.362 1.167 20 5 DDBDRO COc1cccc(C(=O)N[C@@H]2CC[C@H]3C[N@H+](C)C[C@H]32)c1[N+](=O)[O-] ZINC001355171688 878453310 /nfs/dbraw/zinc/45/33/10/878453310.db2.gz PIISSVFQHQWITE-CYZMBNFOSA-N 1 0 319.361 1.673 20 5 DDBDRO Cn1c(-c2ccc([N+](=O)[O-])o2)nnc1N1CC[N@H+](C)C(C)(C)C1 ZINC001355414530 878545149 /nfs/dbraw/zinc/54/51/49/878545149.db2.gz DMODSYDWSOJAMR-UHFFFAOYSA-N 1 0 320.353 1.514 20 5 DDBDRO CCn1c(C[N+](=O)[O-])nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001356349497 879008734 /nfs/dbraw/zinc/00/87/34/879008734.db2.gz SOWXDBVWQWFGOB-LBPRGKRZSA-N 1 0 308.386 1.139 20 5 DDBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC001357486262 879996375 /nfs/dbraw/zinc/99/63/75/879996375.db2.gz LLDBWEUFMPSWBK-SKDRFNHKSA-N 1 0 307.375 1.751 20 5 DDBDRO COC(=O)[C@@H](O[C@@H]1CCC[N@H+](C)C1)c1ccccc1[N+](=O)[O-] ZINC001223644523 881039813 /nfs/dbraw/zinc/03/98/13/881039813.db2.gz VHJWCLKWPXEDKR-RISCZKNCSA-N 1 0 308.334 1.920 20 5 DDBDRO C[NH+]1CCC2(CC[C@H](COc3ncncc3[N+](=O)[O-])O2)CC1 ZINC001228655525 883595553 /nfs/dbraw/zinc/59/55/53/883595553.db2.gz AGMQLVDEIYQWHQ-LLVKDONJSA-N 1 0 308.338 1.407 20 5 DDBDRO COC(=O)c1cnc(O[C@@H]2CC[N@@H+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC001233863026 887398700 /nfs/dbraw/zinc/39/87/00/887398700.db2.gz UUMVVFRAYCLXKE-LLVKDONJSA-N 1 0 309.322 1.638 20 5 DDBDRO C[NH+]1CCC(Oc2cc(N3CCOCC3)ccc2[N+](=O)[O-])CC1 ZINC001234363208 887907715 /nfs/dbraw/zinc/90/77/15/887907715.db2.gz YVCHCTCLJKMTGD-UHFFFAOYSA-N 1 0 321.377 1.904 20 5 DDBDRO COc1ccc(C[C@@H](C)[NH2+]C(CCO)CCO)c([N+](=O)[O-])c1 ZINC001246332269 892544679 /nfs/dbraw/zinc/54/46/79/892544679.db2.gz HCNWGELPYOFQPE-LLVKDONJSA-N 1 0 312.366 1.257 20 5 DDBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@@H]2C[NH+]3CCC2CC3)n1 ZINC001248964845 893784456 /nfs/dbraw/zinc/78/44/56/893784456.db2.gz LHQOCIBFFSAGDX-SNVBAGLBSA-N 1 0 319.296 1.988 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3CCN4CC[C@H]4C3)CC2)cc1 ZINC001254482425 896455947 /nfs/dbraw/zinc/45/59/47/896455947.db2.gz JBPJWJPOXQLQSU-KRWDZBQOSA-N 1 0 316.405 1.954 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCOC[C@H]1C[NH+](C)C ZINC001254563861 896502113 /nfs/dbraw/zinc/50/21/13/896502113.db2.gz FIVNLCJHSATGLG-UKRRQHHQSA-N 1 0 307.394 1.788 20 5 DDBDRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254581639 896512514 /nfs/dbraw/zinc/51/25/14/896512514.db2.gz PELYVIYIQDWTPM-CFVMTHIKSA-N 1 0 304.346 1.993 20 5 DDBDRO O=C1CC2(CN1)CC[NH+]([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)CC2 ZINC001254599729 896525254 /nfs/dbraw/zinc/52/52/54/896525254.db2.gz PMEFKLQNNVRMHD-HNNXBMFYSA-N 1 0 315.373 1.664 20 5 DDBDRO CS(=O)(=O)[C@H]1CCCN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254606848 896528694 /nfs/dbraw/zinc/52/86/94/896528694.db2.gz IQMCOVRGJGETKP-GJZGRUSLSA-N 1 0 324.402 1.571 20 5 DDBDRO COc1cc(N2CCC([NH2+]C3COC3)CC2)ccc1[N+](=O)[O-] ZINC001256083088 897277531 /nfs/dbraw/zinc/27/75/31/897277531.db2.gz MQGINCQFXANRCH-UHFFFAOYSA-N 1 0 307.350 1.561 20 5 DDBDRO [NH3+]CC1(CCNC(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC001263149833 900517502 /nfs/dbraw/zinc/51/75/02/900517502.db2.gz LPUZHPXEWBWGML-KBPBESRZSA-N 1 0 303.362 1.944 20 5 DDBDRO COc1ccc(C(=O)N2CC[C@H]3CC[C@]32C[NH3+])cc1[N+](=O)[O-] ZINC001263257251 900549916 /nfs/dbraw/zinc/54/99/16/900549916.db2.gz PLWRGEAHFFPSIP-ABAIWWIYSA-N 1 0 305.334 1.557 20 5 DDBDRO CN(C(=O)C[N@@H+]1CCC[C@H]1C(C)(C)O)c1ccc([N+](=O)[O-])cc1 ZINC000305468892 231010479 /nfs/dbraw/zinc/01/04/79/231010479.db2.gz XNLXJZRPCSGMCY-AWEZNQCLSA-N 1 0 321.377 1.793 20 5 DDBDRO CCc1n[nH]c(C(=O)N(C)C2CC[NH+](CC)CC2)c1[N+](=O)[O-] ZINC000331308988 529465136 /nfs/dbraw/zinc/46/51/36/529465136.db2.gz YDBOCQGXGZNGIC-UHFFFAOYSA-N 1 0 309.370 1.437 20 5 DDBDRO Cc1cc(C(=O)NC[C@H]2CCCC[N@@H+]2CCO)cc([N+](=O)[O-])c1 ZINC000452387952 231373711 /nfs/dbraw/zinc/37/37/11/231373711.db2.gz INKLOVAZSYYTNM-CQSZACIVSA-N 1 0 321.377 1.480 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)CCC(N)=O ZINC000286593031 219071306 /nfs/dbraw/zinc/07/13/06/219071306.db2.gz VZIKMMHKDZNGJH-UHFFFAOYSA-N 1 0 308.338 1.039 20 5 DDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000420276493 529933050 /nfs/dbraw/zinc/93/30/50/529933050.db2.gz HNCGNHFZIOZDDX-QWRGUYRKSA-N 1 0 306.366 1.884 20 5 DDBDRO CNC(=O)c1ccc(NC[C@H](C2CC2)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000301159662 529942506 /nfs/dbraw/zinc/94/25/06/529942506.db2.gz FGSZRKQKOQSMNC-CQSZACIVSA-N 1 0 306.366 1.707 20 5 DDBDRO C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H](CO)CC(C)(C)C ZINC000451774891 529984482 /nfs/dbraw/zinc/98/44/82/529984482.db2.gz CBFYXXULPDIKRG-ZDUSSCGKSA-N 1 0 323.393 1.923 20 5 DDBDRO CN1C(=O)CC[C@@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])C1=O ZINC000424203316 530041180 /nfs/dbraw/zinc/04/11/80/530041180.db2.gz KBUCXEYXRCEWOA-FVOPLDGLSA-N 1 0 303.318 1.345 20 5 DDBDRO CN(C)C(=O)N1CCC([NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000181761436 199347905 /nfs/dbraw/zinc/34/79/05/199347905.db2.gz TZZCOKQHKOXNTN-UHFFFAOYSA-N 1 0 320.393 1.873 20 5 DDBDRO O=C(/C=C\c1cccc([N+](=O)[O-])c1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000319007961 282407755 /nfs/dbraw/zinc/40/77/55/282407755.db2.gz MLTHREAIAVQDOP-YIEVGGLXSA-N 1 0 301.346 1.820 20 5 DDBDRO CCn1ccc(C[N@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000616786193 362818773 /nfs/dbraw/zinc/81/87/73/362818773.db2.gz NXBYJUKGJFPNBT-CQSZACIVSA-N 1 0 307.354 1.106 20 5 DDBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000601227821 358455812 /nfs/dbraw/zinc/45/58/12/358455812.db2.gz WPPMBDMHPGURDE-ZWNOBZJWSA-N 1 0 320.349 1.084 20 5 DDBDRO CCCC[C@@H](C[NH3+])NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000150292133 186055982 /nfs/dbraw/zinc/05/59/82/186055982.db2.gz RUVQDPVXZVNDLS-NSHDSACASA-N 1 0 315.395 1.699 20 5 DDBDRO C[NH+](C)C1(CNC(=O)c2[nH]ncc2[N+](=O)[O-])CCCCCC1 ZINC000331417465 233394393 /nfs/dbraw/zinc/39/43/93/233394393.db2.gz AMZZKEAWLKYFPT-UHFFFAOYSA-N 1 0 309.370 1.702 20 5 DDBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCCCC[NH3+] ZINC000237477714 186295361 /nfs/dbraw/zinc/29/53/61/186295361.db2.gz ZCGJFWIXQWEION-SECBINFHSA-N 1 0 315.757 1.871 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC000617353072 363066870 /nfs/dbraw/zinc/06/68/70/363066870.db2.gz USZZUBHCSOQZES-NSHDSACASA-N 1 0 307.350 1.675 20 5 DDBDRO Cc1ccccc1C[NH+]1CCC(NC(=O)[C@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000053968490 352674396 /nfs/dbraw/zinc/67/43/96/352674396.db2.gz ABDUDTMYONNUPN-JKSUJKDBSA-N 1 0 317.389 1.741 20 5 DDBDRO COCC[NH+]1CCN(CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000055900432 352749230 /nfs/dbraw/zinc/74/92/30/352749230.db2.gz YYUSVMULRXZQER-UHFFFAOYSA-N 1 0 323.393 1.628 20 5 DDBDRO CC[C@H](C)[N@H+](C)CCNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000066149656 352980187 /nfs/dbraw/zinc/98/01/87/352980187.db2.gz FUMGNXZAWJCOPP-NSHDSACASA-N 1 0 311.386 1.373 20 5 DDBDRO COc1ccc(CC(=O)NC[C@H](C)[N@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000068195973 353095514 /nfs/dbraw/zinc/09/55/14/353095514.db2.gz DCGFADAGLZPPHE-NSHDSACASA-N 1 0 321.377 1.745 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]Cc2ccc(Cl)s2)c1 ZINC000071308413 353192573 /nfs/dbraw/zinc/19/25/73/353192573.db2.gz UBVXKSFOIULNPW-SECBINFHSA-N 1 0 316.770 1.657 20 5 DDBDRO CCC[N@@H+]1CCCN(C(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000074074008 353289423 /nfs/dbraw/zinc/28/94/23/353289423.db2.gz WBQLHEXWVFULBK-UHFFFAOYSA-N 1 0 320.393 1.951 20 5 DDBDRO C[NH+](C)[C@H]1CCCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000277112641 213300229 /nfs/dbraw/zinc/30/02/29/213300229.db2.gz DNUPDVUVRUUIGQ-LBPRGKRZSA-N 1 0 306.366 1.733 20 5 DDBDRO CC[NH+]1CCN(CCCNc2cc(C)c([N+](=O)[O-])cn2)CC1 ZINC000074740456 353327805 /nfs/dbraw/zinc/32/78/05/353327805.db2.gz GGUOUHPVIVRLNB-UHFFFAOYSA-N 1 0 307.398 1.738 20 5 DDBDRO CC[N@H+](CCc1ccccc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174736478 198378423 /nfs/dbraw/zinc/37/84/23/198378423.db2.gz NYOJPIKNUKLFGG-INIZCTEOSA-N 1 0 318.377 1.717 20 5 DDBDRO CC[NH+](CC)C[C@H](C)NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000080253896 353599517 /nfs/dbraw/zinc/59/95/17/353599517.db2.gz ZNGDKFNXTDMTRO-ZDUSSCGKSA-N 1 0 322.409 1.878 20 5 DDBDRO Cc1c(C[N@H+](C)C[C@H](O)CN2CCOCC2)cccc1[N+](=O)[O-] ZINC000083244978 353709121 /nfs/dbraw/zinc/70/91/21/353709121.db2.gz ZEZWHDJFHOANEX-HNNXBMFYSA-N 1 0 323.393 1.028 20 5 DDBDRO CN(CC[NH+]1CCCC1)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000112746589 353974580 /nfs/dbraw/zinc/97/45/80/353974580.db2.gz NFWKWUIJIXSMRB-UHFFFAOYSA-N 1 0 306.366 1.832 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000125157199 354044101 /nfs/dbraw/zinc/04/41/01/354044101.db2.gz DBYPIYSMVTVBOM-WDEREUQCSA-N 1 0 313.379 1.451 20 5 DDBDRO Cc1ccc(S(=O)(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000125099257 354044279 /nfs/dbraw/zinc/04/42/79/354044279.db2.gz XRQMKIILRMXRDT-MNOVXSKESA-N 1 0 313.379 1.451 20 5 DDBDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000161965650 354244491 /nfs/dbraw/zinc/24/44/91/354244491.db2.gz IYFRURMWYSHJFO-VXGBXAGGSA-N 1 0 306.366 1.783 20 5 DDBDRO CC(C)[NH+]1CCC(NC(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000198229057 354300821 /nfs/dbraw/zinc/30/08/21/354300821.db2.gz AFFISUZOUWJXQP-UHFFFAOYSA-N 1 0 321.377 1.963 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCC[C@H](CO)CC2)c1 ZINC000293114307 354454083 /nfs/dbraw/zinc/45/40/83/354454083.db2.gz LVKSBXOYNPTBIA-ZFWWWQNUSA-N 1 0 324.377 1.429 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](C)C[C@@H](C)[NH3+])cc1C ZINC000320756189 354529421 /nfs/dbraw/zinc/52/94/21/354529421.db2.gz WNKUKTKPDNVEGU-MNOVXSKESA-N 1 0 315.395 1.616 20 5 DDBDRO COC[C@@]1(CNC(=O)c2cc(OC)ccc2[N+](=O)[O-])CCC[NH2+]1 ZINC000357255116 291034288 /nfs/dbraw/zinc/03/42/88/291034288.db2.gz FNSNFKCKVOFCTJ-HNNXBMFYSA-N 1 0 323.349 1.102 20 5 DDBDRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000584833917 354778089 /nfs/dbraw/zinc/77/80/89/354778089.db2.gz VCTBAJDKIKXBNS-WDEREUQCSA-N 1 0 314.345 1.952 20 5 DDBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N[C@H](CO)C[NH+]1CCCC1 ZINC000588870004 354945222 /nfs/dbraw/zinc/94/52/22/354945222.db2.gz SDJDNTOTMORMLB-AWEZNQCLSA-N 1 0 321.377 1.100 20 5 DDBDRO C[C@@H]1C[C@H](Nc2cc(N)c([N+](=O)[O-])c(CO)c2)C[N@@H+]1C1CC1 ZINC000589584122 355002102 /nfs/dbraw/zinc/00/21/02/355002102.db2.gz GCANXYHTCVQIKG-SKDRFNHKSA-N 1 0 306.366 1.706 20 5 DDBDRO CS(=O)(=O)C[C@H]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000590053486 355044278 /nfs/dbraw/zinc/04/42/78/355044278.db2.gz ZNEXOCRIBFKYSV-AGLBCWCQSA-N 1 0 324.402 1.975 20 5 DDBDRO Cc1cc(S(=O)(=O)NCC[N@@H+](C)C2CC2)c([N+](=O)[O-])s1 ZINC000601317784 358493303 /nfs/dbraw/zinc/49/33/03/358493303.db2.gz CJEBLOLZEXTJHB-UHFFFAOYSA-N 1 0 319.408 1.337 20 5 DDBDRO COC[C@@]1(CO)CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000590763173 355171028 /nfs/dbraw/zinc/17/10/28/355171028.db2.gz PFROAHRSGSYUOW-INIZCTEOSA-N 1 0 324.377 1.695 20 5 DDBDRO CC[NH+]1CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000073599644 191329976 /nfs/dbraw/zinc/32/99/76/191329976.db2.gz WUMTYDDHMHHBAB-UHFFFAOYSA-N 1 0 318.377 1.121 20 5 DDBDRO CCOC(=O)c1ccnc(N2CC[C@H]3CC[NH2+][C@@H]3C2)c1[N+](=O)[O-] ZINC000591439021 355311158 /nfs/dbraw/zinc/31/11/58/355311158.db2.gz QLDXNMAUESVDAC-ZYHUDNBSSA-N 1 0 320.349 1.355 20 5 DDBDRO O=C(CCN1CC[C@@H]2CC[NH2+][C@@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000591448159 355313717 /nfs/dbraw/zinc/31/37/17/355313717.db2.gz FFIKJEOEZQZMKX-GXTWGEPZSA-N 1 0 318.377 1.607 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2C[N@@H+](C)C[C@H]21 ZINC000591534392 355324366 /nfs/dbraw/zinc/32/43/66/355324366.db2.gz AHTTUCVQQBOUDM-IUODEOHRSA-N 1 0 303.362 1.988 20 5 DDBDRO CO[C@@H]1CCC[C@@H]1C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000591758200 355378636 /nfs/dbraw/zinc/37/86/36/355378636.db2.gz AUHSTLFZHWXLHA-XNRPHZJLSA-N 1 0 324.377 1.739 20 5 DDBDRO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000591758694 355378742 /nfs/dbraw/zinc/37/87/42/355378742.db2.gz JGZRDEXNACNLQO-GZBFAFLISA-N 1 0 324.377 1.882 20 5 DDBDRO C[C@H](C[S@](C)=O)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000591760704 355379679 /nfs/dbraw/zinc/37/96/79/355379679.db2.gz PTSRWDSEZFCDCO-UZJPJQLHSA-N 1 0 313.379 1.280 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)Nc2cnc3c(c2)C[NH2+]CC3)n1 ZINC000591681418 355360949 /nfs/dbraw/zinc/36/09/49/355360949.db2.gz UOMPDDBPFZUQQY-UHFFFAOYSA-N 1 0 316.321 1.104 20 5 DDBDRO O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000591892236 355414062 /nfs/dbraw/zinc/41/40/62/355414062.db2.gz HKVFEEWOWGQGHJ-GXFFZTMASA-N 1 0 320.349 1.300 20 5 DDBDRO Cc1n[nH]c(C(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC000592256422 355548284 /nfs/dbraw/zinc/54/82/84/355548284.db2.gz YYVKIUTXUBTMKW-VXGBXAGGSA-N 1 0 321.381 1.478 20 5 DDBDRO CC(C)([NH3+])CCC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000592562788 355629608 /nfs/dbraw/zinc/62/96/08/355629608.db2.gz OLAMKSJNXADAJH-UHFFFAOYSA-N 1 0 309.370 1.472 20 5 DDBDRO C[N@@H+]1CCC[C@@H]1CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000593017115 355771416 /nfs/dbraw/zinc/77/14/16/355771416.db2.gz DRUQDWUFQOVUPM-TZMCWYRMSA-N 1 0 305.382 1.570 20 5 DDBDRO CN(CC[NH+]1CCCCC1)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000593111540 355802592 /nfs/dbraw/zinc/80/25/92/355802592.db2.gz FZGSSLJGLYREMC-UHFFFAOYSA-N 1 0 320.393 1.951 20 5 DDBDRO O=[N+]([O-])c1ccc2c(ccnc2N2CC([N@@H+]3CC[C@@H](O)C3)C2)c1 ZINC000593505926 355907697 /nfs/dbraw/zinc/90/76/97/355907697.db2.gz YMUMVCNTQYCPDT-CQSZACIVSA-N 1 0 314.345 1.398 20 5 DDBDRO C[NH+](C)C[C@@H]1CCCN1C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593448897 355887943 /nfs/dbraw/zinc/88/79/43/355887943.db2.gz QSLCCTRXGCSRJR-ZDUSSCGKSA-N 1 0 309.341 1.829 20 5 DDBDRO O=[N+]([O-])c1ccc(OCCN2CCC([NH2+]CCO)CC2)cc1 ZINC000601328567 358499447 /nfs/dbraw/zinc/49/94/47/358499447.db2.gz TVBDUOINNXBTFQ-UHFFFAOYSA-N 1 0 309.366 1.020 20 5 DDBDRO C[C@@H]1C[C@@H](NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000593485966 355900503 /nfs/dbraw/zinc/90/05/03/355900503.db2.gz DRZSJBMUUCYXHG-MFKMUULPSA-N 1 0 309.341 1.875 20 5 DDBDRO Cc1ccc([C@@H](C)NC(=O)[C@@H](N)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000593905956 356051739 /nfs/dbraw/zinc/05/17/39/356051739.db2.gz PWCRJGQUKXMULP-YPMHNXCESA-N 1 0 308.382 1.359 20 5 DDBDRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2C(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000593919074 356060540 /nfs/dbraw/zinc/06/05/40/356060540.db2.gz NMMJDDGWJATEJY-SWHYSGLUSA-N 1 0 322.365 1.424 20 5 DDBDRO C[C@@H](O)C[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000594055360 356101626 /nfs/dbraw/zinc/10/16/26/356101626.db2.gz KZDXKESHWMJTCX-RISCZKNCSA-N 1 0 310.350 1.180 20 5 DDBDRO O=C([C@@H]1C[C@]12CCC[NH2+]C2)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000594445235 356219239 /nfs/dbraw/zinc/21/92/39/356219239.db2.gz IVPKVOAVSAXKPZ-BBRMVZONSA-N 1 0 316.361 1.264 20 5 DDBDRO CC(C)Oc1nc(N2CCN(CCO)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000594584484 356256056 /nfs/dbraw/zinc/25/60/56/356256056.db2.gz DPNDOEMVGYTNEG-GFCCVEGCSA-N 1 0 324.381 1.280 20 5 DDBDRO C[C@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])[C@H]1CN(C)CCO1 ZINC000594503448 356238776 /nfs/dbraw/zinc/23/87/76/356238776.db2.gz WPPDNACTMDYSLI-SGIREYDYSA-N 1 0 305.378 1.891 20 5 DDBDRO Cn1cnc(CCC[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])n1 ZINC000594506860 356239302 /nfs/dbraw/zinc/23/93/02/356239302.db2.gz FVXVCXWWVIJJQR-ZDUSSCGKSA-N 1 0 301.350 1.933 20 5 DDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)CC(C)(C)[NH3+] ZINC000595115132 356383919 /nfs/dbraw/zinc/38/39/19/356383919.db2.gz AIXHLAAWFZOQHX-UHFFFAOYSA-N 1 0 301.368 1.261 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)CC(C)(C)[NH3+] ZINC000595115433 356384700 /nfs/dbraw/zinc/38/47/00/356384700.db2.gz FDBOTDFHDIDLJT-UHFFFAOYSA-N 1 0 301.368 1.261 20 5 DDBDRO CC(C)[C@H]([NH3+])CCNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000595122382 356386768 /nfs/dbraw/zinc/38/67/68/356386768.db2.gz XWQICFUXRNSPQH-CYBMUJFWSA-N 1 0 315.395 1.388 20 5 DDBDRO Cc1noc(CN2CCC(CO)([NH2+]C(C)C)CC2)c1[N+](=O)[O-] ZINC000595511942 356526225 /nfs/dbraw/zinc/52/62/25/356526225.db2.gz WDSQDMVGNRSVGZ-UHFFFAOYSA-N 1 0 312.370 1.216 20 5 DDBDRO C[C@H](CO)[C@@H]1CCCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000595679781 356608068 /nfs/dbraw/zinc/60/80/68/356608068.db2.gz YCZWQXSMSAQCKQ-RISCZKNCSA-N 1 0 321.377 1.677 20 5 DDBDRO C[C@@H](CO)[C@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000595679067 356606763 /nfs/dbraw/zinc/60/67/63/356606763.db2.gz UTICLVPURXOESR-GXTWGEPZSA-N 1 0 309.366 1.239 20 5 DDBDRO Cn1cc(C[C@@H]2CCC[C@H]2[NH2+]CCn2cc([N+](=O)[O-])cn2)cn1 ZINC000595771526 356645532 /nfs/dbraw/zinc/64/55/32/356645532.db2.gz QAIJCICMGBXZDJ-DZGCQCFKSA-N 1 0 318.381 1.526 20 5 DDBDRO C[C@]12COC[C@H]1C[N@H+](Cc1cc([N+](=O)[O-])cc3c1OCOC3)C2 ZINC000595760623 356642054 /nfs/dbraw/zinc/64/20/54/356642054.db2.gz UWYPFBDHFMEFMV-CJNGLKHVSA-N 1 0 320.345 1.930 20 5 DDBDRO C[C@H]1COC2(CCCC2)C[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000595816414 356662125 /nfs/dbraw/zinc/66/21/25/356662125.db2.gz WZMKQJBKGLOCLA-GXTWGEPZSA-N 1 0 324.381 1.186 20 5 DDBDRO O=[N+]([O-])c1ccc(CN2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000595867506 356684948 /nfs/dbraw/zinc/68/49/48/356684948.db2.gz NOESAXJUQZPLHU-MRXNPFEDSA-N 1 0 305.378 1.626 20 5 DDBDRO [NH3+][C@H]1CCc2ccccc2N(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000595904038 356698805 /nfs/dbraw/zinc/69/88/05/356698805.db2.gz OFHSVIBJLOIQID-ZDUSSCGKSA-N 1 0 301.350 1.571 20 5 DDBDRO Cc1nn(CCC(=O)NCC[C@@H]([NH3+])C(C)C)c(C)c1[N+](=O)[O-] ZINC000595951212 356719858 /nfs/dbraw/zinc/71/98/58/356719858.db2.gz NYFDYHRKVWWUOZ-GFCCVEGCSA-N 1 0 311.386 1.288 20 5 DDBDRO CC1(C)CC[NH2+][C@H]1C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000595953128 356720729 /nfs/dbraw/zinc/72/07/29/356720729.db2.gz FUHYGMGAKAFJJT-ZDUSSCGKSA-N 1 0 304.350 1.263 20 5 DDBDRO C[C@]1(NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC[NH2+]C1 ZINC000595991771 356738356 /nfs/dbraw/zinc/73/83/56/356738356.db2.gz KFNHRMZUJIBIGO-HNNXBMFYSA-N 1 0 306.366 1.655 20 5 DDBDRO COc1ccc(CNC(=O)[C@H]2[NH2+]CCC2(C)C)cc1[N+](=O)[O-] ZINC000595931612 356710499 /nfs/dbraw/zinc/71/04/99/356710499.db2.gz ICJXDFFLRVKSBH-CYBMUJFWSA-N 1 0 307.350 1.608 20 5 DDBDRO COc1cc(C(=O)N2CC3CC2(C[NH3+])C3)c([N+](=O)[O-])cc1OC ZINC000595943714 356716413 /nfs/dbraw/zinc/71/64/13/356716413.db2.gz RDKKDMUFMBILJP-UHFFFAOYSA-N 1 0 321.333 1.175 20 5 DDBDRO COc1ccc(CC(=O)N2CC3CC2(C[NH3+])C3)cc1[N+](=O)[O-] ZINC000595944059 356716690 /nfs/dbraw/zinc/71/66/90/356716690.db2.gz UJPLQWKCGGBASQ-UHFFFAOYSA-N 1 0 305.334 1.096 20 5 DDBDRO C[N@@H+]1CCC[C@H]1CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000276920201 213176031 /nfs/dbraw/zinc/17/60/31/213176031.db2.gz OLSQZTOETSDQKG-LBPRGKRZSA-N 1 0 313.379 1.108 20 5 DDBDRO Nc1c(F)c(NCCC[NH+]2CCC(O)CC2)ccc1[N+](=O)[O-] ZINC000596085914 356767296 /nfs/dbraw/zinc/76/72/96/356767296.db2.gz ODUKXAPQBYTRRZ-UHFFFAOYSA-N 1 0 312.345 1.575 20 5 DDBDRO C[N@H+](CC1CC1)C[C@H]1CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC000596146669 356791282 /nfs/dbraw/zinc/79/12/82/356791282.db2.gz GVQHFHOUTSFLNJ-GFCCVEGCSA-N 1 0 306.366 1.864 20 5 DDBDRO COC(=O)c1cc(NC(=O)[C@H]2CC[C@H]([NH3+])C2)cc([N+](=O)[O-])c1 ZINC000237187118 202181105 /nfs/dbraw/zinc/18/11/05/202181105.db2.gz BDIVQYQVCLZHCF-WPRPVWTQSA-N 1 0 307.306 1.447 20 5 DDBDRO CC[C@@H]1C[N@H+](CC)CCN1c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596257505 356835237 /nfs/dbraw/zinc/83/52/37/356835237.db2.gz PCUWOVRNECHJDS-LLVKDONJSA-N 1 0 306.366 1.614 20 5 DDBDRO C[NH2+]C[C@@H]1CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000237197450 202186116 /nfs/dbraw/zinc/18/61/16/202186116.db2.gz BHBQEQGYRRTHGN-VIFPVBQESA-N 1 0 310.329 1.388 20 5 DDBDRO COc1cc(C(=O)NC[C@H]2CCC[NH2+]C2)c([N+](=O)[O-])cc1OC ZINC000237263623 202209158 /nfs/dbraw/zinc/20/91/58/202209158.db2.gz WRFJVSBOUDCXJQ-JTQLQIEISA-N 1 0 323.349 1.341 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H]([NH+](C)C)[C@@H]1C ZINC000597699302 357291068 /nfs/dbraw/zinc/29/10/68/357291068.db2.gz JMBXFRHYHGJWHX-GWCFXTLKSA-N 1 0 307.350 1.768 20 5 DDBDRO COc1ccc(CC(=O)NCC[C@@H](C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000597993684 357409516 /nfs/dbraw/zinc/40/95/16/357409516.db2.gz VOJOKHIMCLYXFD-LLVKDONJSA-N 1 0 309.366 1.602 20 5 DDBDRO C[C@@H](CCNC(=O)CCNc1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000598000420 357416547 /nfs/dbraw/zinc/41/65/47/357416547.db2.gz UQTFOLMOVOYPTI-LBPRGKRZSA-N 1 0 308.382 1.853 20 5 DDBDRO CN(CC1C[NH+](C)C1)C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000598163895 357479689 /nfs/dbraw/zinc/47/96/89/357479689.db2.gz QUKMDPAANZSFBY-UHFFFAOYSA-N 1 0 316.361 1.639 20 5 DDBDRO C[C@@H]([NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H](C)CO ZINC000358800870 299260673 /nfs/dbraw/zinc/26/06/73/299260673.db2.gz BGUIORXPJAWHTF-NXEZZACHSA-N 1 0 306.322 1.751 20 5 DDBDRO CC[NH+](CC)[C@@H]1CCN(c2nccc(C(=O)OC)c2[N+](=O)[O-])C1 ZINC000598600718 357649842 /nfs/dbraw/zinc/64/98/42/357649842.db2.gz PYOCBAJBCNZKNB-LLVKDONJSA-N 1 0 322.365 1.697 20 5 DDBDRO C[C@@H]1CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H]1CO ZINC000598643497 357666312 /nfs/dbraw/zinc/66/63/12/357666312.db2.gz LMUYIPKAVOKOKM-IPYPFGDCSA-N 1 0 324.377 1.285 20 5 DDBDRO [NH3+][C@@]12CCC[C@H]1CN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C2 ZINC000598682135 357685472 /nfs/dbraw/zinc/68/54/72/357685472.db2.gz MDEPJIBVZRUTRE-BLLLJJGKSA-N 1 0 318.377 1.737 20 5 DDBDRO Cc1ccc(S(=O)(=O)N[C@H](C[NH3+])C2CC2)c(C)c1[N+](=O)[O-] ZINC000598716593 357701630 /nfs/dbraw/zinc/70/16/30/357701630.db2.gz OSQYIKDOPPOABG-LLVKDONJSA-N 1 0 313.379 1.227 20 5 DDBDRO [NH3+][C@]12CCC[C@@H]1CN(S(=O)(=O)c1cccc([N+](=O)[O-])c1)C2 ZINC000598723235 357704335 /nfs/dbraw/zinc/70/43/35/357704335.db2.gz FOKJBWJVNIYMOW-MFKMUULPSA-N 1 0 311.363 1.097 20 5 DDBDRO C[C@H]1CC[C@@H](NS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C[NH2+]1 ZINC000599106523 357817717 /nfs/dbraw/zinc/81/77/17/357817717.db2.gz UHONDGPOTSTKPK-CMPLNLGQSA-N 1 0 313.379 1.155 20 5 DDBDRO C[N@@H+]1CCCC[C@@H](CNc2ncc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000599139026 357826992 /nfs/dbraw/zinc/82/69/92/357826992.db2.gz MQHREJKANJCWNA-JTQLQIEISA-N 1 0 307.354 1.233 20 5 DDBDRO CCOC(=O)C[C@H](O)C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000599412831 357925689 /nfs/dbraw/zinc/92/56/89/357925689.db2.gz OWWAEGBLIQTIMQ-ZDUSSCGKSA-N 1 0 310.350 1.383 20 5 DDBDRO CCN(CC[NH3+])C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000599916483 358079312 /nfs/dbraw/zinc/07/93/12/358079312.db2.gz CPUZIIOVTVAETF-UHFFFAOYSA-N 1 0 314.773 1.781 20 5 DDBDRO C[C@H]1CC[C@H](NC(=O)NCCc2cccc([N+](=O)[O-])c2)C[NH2+]1 ZINC000599922031 358081430 /nfs/dbraw/zinc/08/14/30/358081430.db2.gz XKTZXBLBUFMAOG-AAEUAGOBSA-N 1 0 306.366 1.577 20 5 DDBDRO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000599937115 358085418 /nfs/dbraw/zinc/08/54/18/358085418.db2.gz DTRFOQPGDIQBCH-OCCSQVGLSA-N 1 0 323.324 1.015 20 5 DDBDRO CCN(CC[NH3+])CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000600717552 358293675 /nfs/dbraw/zinc/29/36/75/358293675.db2.gz QUUQAZNJKQAUFO-UHFFFAOYSA-N 1 0 310.354 1.213 20 5 DDBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H]1CC[NH2+][C@H]1C ZINC000600684196 358282498 /nfs/dbraw/zinc/28/24/98/358282498.db2.gz ZFPMOIFQDCBUGK-UHIISALHSA-N 1 0 306.366 1.652 20 5 DDBDRO O=C(NCC[N@H+]1CC[C@H](O)C1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000600808457 358320169 /nfs/dbraw/zinc/32/01/69/358320169.db2.gz OYFCNKOISNKTEH-LBPRGKRZSA-N 1 0 313.741 1.045 20 5 DDBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H]3COC[C@H]3O)o2)cc1 ZINC000601140436 358418430 /nfs/dbraw/zinc/41/84/30/358418430.db2.gz YZJDGBUTDORALP-UONOGXRCSA-N 1 0 304.302 1.704 20 5 DDBDRO C[C@H]1[C@H]([NH+](C)C)CCN1c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601169000 358430717 /nfs/dbraw/zinc/43/07/17/358430717.db2.gz IGUPSYAVHGKOOB-JGVFFNPUSA-N 1 0 321.303 1.876 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000601560415 358601122 /nfs/dbraw/zinc/60/11/22/358601122.db2.gz XGXAVAXARWKRDU-QWHCGFSZSA-N 1 0 321.381 1.090 20 5 DDBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000181139713 199256179 /nfs/dbraw/zinc/25/61/79/199256179.db2.gz APBGHDTYZLVGEU-LLVKDONJSA-N 1 0 306.366 1.733 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000602073715 358801747 /nfs/dbraw/zinc/80/17/47/358801747.db2.gz OJWIWQDPTMTPPW-NSHDSACASA-N 1 0 307.350 1.561 20 5 DDBDRO C[NH2+]CCNC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000602427386 358969691 /nfs/dbraw/zinc/96/96/91/358969691.db2.gz GKPCJYVQTXUEQV-UHFFFAOYSA-N 1 0 302.128 1.307 20 5 DDBDRO CN(CC(=O)N[C@@H]1CC[NH2+]C12CCC2)c1ccccc1[N+](=O)[O-] ZINC000602529318 359028576 /nfs/dbraw/zinc/02/85/76/359028576.db2.gz FIMCFEXSKSLQLE-CQSZACIVSA-N 1 0 318.377 1.432 20 5 DDBDRO C[NH2+]CCOCCN(C)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000602545729 359037476 /nfs/dbraw/zinc/03/74/76/359037476.db2.gz OJTRZNFXZGWUII-UHFFFAOYSA-N 1 0 323.393 1.567 20 5 DDBDRO C[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[C@H]1CCOC1 ZINC000602559644 359044960 /nfs/dbraw/zinc/04/49/60/359044960.db2.gz VVBAVYTVYIVADB-OLZOCXBDSA-N 1 0 320.393 1.973 20 5 DDBDRO CO[C@@H]1C[NH2+][C@](C)(C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000602463279 358995014 /nfs/dbraw/zinc/99/50/14/358995014.db2.gz ADALTRYFHHCLDP-FFSVYQOJSA-N 1 0 321.377 1.847 20 5 DDBDRO O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000602492652 359013565 /nfs/dbraw/zinc/01/35/65/359013565.db2.gz WCNKQMROEGHOPW-STQMWFEESA-N 1 0 321.352 1.833 20 5 DDBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]CCCN3CCOCC3)nc2c1 ZINC000602500923 359016294 /nfs/dbraw/zinc/01/62/94/359016294.db2.gz BQTFQEPCGYQVFQ-UHFFFAOYSA-N 1 0 320.349 1.548 20 5 DDBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2nnc3n2CCOC3)cc1 ZINC000602631082 359085414 /nfs/dbraw/zinc/08/54/14/359085414.db2.gz OLDFQKRIADSICQ-UHFFFAOYSA-N 1 0 303.322 1.049 20 5 DDBDRO C[C@@H]1CC[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CS1(=O)=O ZINC000602712509 359142317 /nfs/dbraw/zinc/14/23/17/359142317.db2.gz YWZKBMQYHYJFBD-DGCLKSJQSA-N 1 0 312.391 1.693 20 5 DDBDRO C[C@@H]1OCC[C@@H]1C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000602792802 359195653 /nfs/dbraw/zinc/19/56/53/359195653.db2.gz COOYBKKAGPOJKV-YNEHKIRRSA-N 1 0 306.366 1.901 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](CO)C[NH+]2CCCC2)c1 ZINC000603052623 359378400 /nfs/dbraw/zinc/37/84/00/359378400.db2.gz JXPAAPVHUXYCBF-GFCCVEGCSA-N 1 0 307.350 1.090 20 5 DDBDRO C[C@@H](c1ccccc1[N+](=O)[O-])n1cc(CSCC[NH3+])nn1 ZINC000603220388 359491434 /nfs/dbraw/zinc/49/14/34/359491434.db2.gz UGSWSUVFKCOUHW-JTQLQIEISA-N 1 0 307.379 1.988 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)CC[N@H+](C)C1CC1 ZINC000186744402 200002085 /nfs/dbraw/zinc/00/20/85/200002085.db2.gz LDAJJRSCQMRKSL-UHFFFAOYSA-N 1 0 320.393 1.868 20 5 DDBDRO COc1cc(OCC(=O)N[C@@H]2C[NH2+]CC[C@H]2C)ccc1[N+](=O)[O-] ZINC000186811308 200015489 /nfs/dbraw/zinc/01/54/89/200015489.db2.gz VSOVXZPXAQWRSY-ZYHUDNBSSA-N 1 0 323.349 1.096 20 5 DDBDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000187041794 200051451 /nfs/dbraw/zinc/05/14/51/200051451.db2.gz OYZNXPGTUOUNDN-LLVKDONJSA-N 1 0 322.365 1.546 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000237580562 202292107 /nfs/dbraw/zinc/29/21/07/202292107.db2.gz GHSJDVLWIZBLIM-NWDGAFQWSA-N 1 0 309.370 1.124 20 5 DDBDRO CN1CCC[C@H]([NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000618565178 363676735 /nfs/dbraw/zinc/67/67/35/363676735.db2.gz GCTIJXKZWIDRME-MELADBBJSA-N 1 0 307.398 1.959 20 5 DDBDRO COCc1cc([N+](=O)[O-])ccc1NCC[N@@H+]1CCCOCC1 ZINC000188501721 200257367 /nfs/dbraw/zinc/25/73/67/200257367.db2.gz LCCLTQDHQRTPKE-UHFFFAOYSA-N 1 0 309.366 1.875 20 5 DDBDRO CC1(C)CN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[N@@H+]1CCO ZINC000618585345 363682517 /nfs/dbraw/zinc/68/25/17/363682517.db2.gz ADATTXVWKMAFJX-UHFFFAOYSA-N 1 0 319.365 1.364 20 5 DDBDRO CC(C)[NH2+][C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000608778910 360240858 /nfs/dbraw/zinc/24/08/58/360240858.db2.gz CLINYGVAFHLCQF-SNVBAGLBSA-N 1 0 307.354 1.056 20 5 DDBDRO C[C@@H](NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)C1CC[NH+](C)CC1 ZINC000608839733 360249449 /nfs/dbraw/zinc/24/94/49/360249449.db2.gz YEZDTYVOVISRJK-LLVKDONJSA-N 1 0 323.397 1.373 20 5 DDBDRO Cn1c(Sc2cccnc2[N+](=O)[O-])nnc1[C@@H]1CCC[NH2+]C1 ZINC000609797297 360351202 /nfs/dbraw/zinc/35/12/02/360351202.db2.gz FWDYKZXOTUEQST-SECBINFHSA-N 1 0 320.378 1.737 20 5 DDBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000609851222 360356353 /nfs/dbraw/zinc/35/63/53/360356353.db2.gz WTPVTQKFJHQJJA-CYBMUJFWSA-N 1 0 321.377 1.964 20 5 DDBDRO C[C@H]1CCC[N@H+](CCNc2cc(N)c([N+](=O)[O-])c(CO)c2)C1 ZINC000611525547 360747070 /nfs/dbraw/zinc/74/70/70/360747070.db2.gz KEEGBZZHPRZSNQ-NSHDSACASA-N 1 0 308.382 1.813 20 5 DDBDRO Cc1nn(C[C@H](O)C[N@@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000611508422 360741214 /nfs/dbraw/zinc/74/12/14/360741214.db2.gz FYQBMAJBLHZOSG-CQSZACIVSA-N 1 0 304.350 1.593 20 5 DDBDRO C[N@H+]1CC=C(CNC(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000271969863 209347676 /nfs/dbraw/zinc/34/76/76/209347676.db2.gz MPQDHBOOWYVKAN-UHFFFAOYSA-N 1 0 305.334 1.352 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@H](CCO)C1 ZINC000612070174 360909155 /nfs/dbraw/zinc/90/91/55/360909155.db2.gz DAYJUXDTKYMMGY-KGLIPLIRSA-N 1 0 324.377 1.429 20 5 DDBDRO COCC1([N@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000612110819 360923064 /nfs/dbraw/zinc/92/30/64/360923064.db2.gz YIYXVOWGQGXLHK-GFCCVEGCSA-N 1 0 310.350 1.445 20 5 DDBDRO C[C@@H]([NH3+])[C@@H]1CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000132306258 296025393 /nfs/dbraw/zinc/02/53/93/296025393.db2.gz CNHQHZXSZWEREE-RKDXNWHRSA-N 1 0 317.342 1.092 20 5 DDBDRO CC[NH2+]CCNS(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000193256305 201014750 /nfs/dbraw/zinc/01/47/50/201014750.db2.gz AYLHOBMNAHIPDH-UHFFFAOYSA-N 1 0 301.368 1.099 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000193474646 201057857 /nfs/dbraw/zinc/05/78/57/201057857.db2.gz FTCVCYRWSUSMEW-OAHLLOKOSA-N 1 0 318.333 1.077 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@@]2(CO)CCCc3ccccc32)n1 ZINC000281462965 216316546 /nfs/dbraw/zinc/31/65/46/216316546.db2.gz BBAINUSUXDMBJR-MRXNPFEDSA-N 1 0 316.361 1.605 20 5 DDBDRO C[NH+]1CC2(C1)CCN(C(=O)COc1ccccc1[N+](=O)[O-])C2 ZINC000618920843 363801813 /nfs/dbraw/zinc/80/18/13/363801813.db2.gz ACLKNJRJSVVTST-UHFFFAOYSA-N 1 0 305.334 1.138 20 5 DDBDRO CC[C@H]1C[N@H+](C)CCCN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000619578383 364070494 /nfs/dbraw/zinc/07/04/94/364070494.db2.gz HAPQTGJOXYQHPT-ZDUSSCGKSA-N 1 0 320.393 1.949 20 5 DDBDRO O=C(Cc1ccccc1[N+](=O)[O-])NCC12CCC[NH+]1CCC2 ZINC000619573990 364067510 /nfs/dbraw/zinc/06/75/10/364067510.db2.gz IJBZEJMDUWRWPD-UHFFFAOYSA-N 1 0 303.362 1.882 20 5 DDBDRO Cc1ccccc1OC[C@H](O)C[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000566115192 304119953 /nfs/dbraw/zinc/11/99/53/304119953.db2.gz ONHXOAHZHTTZQQ-CQSZACIVSA-N 1 0 320.349 1.129 20 5 DDBDRO Nc1ccc(C(=O)N2CCC3(CC[NH2+]C3)CC2)cc1[N+](=O)[O-] ZINC000261924253 203154063 /nfs/dbraw/zinc/15/40/63/203154063.db2.gz ZEPZSJXTQXOLRF-UHFFFAOYSA-N 1 0 304.350 1.393 20 5 DDBDRO CN(C(=O)CCOc1ccccc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000262469796 203302274 /nfs/dbraw/zinc/30/22/74/203302274.db2.gz HUWMQBWKNZUBNJ-UHFFFAOYSA-N 1 0 307.350 1.574 20 5 DDBDRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000262582974 203339616 /nfs/dbraw/zinc/33/96/16/203339616.db2.gz NBGRNBLDNZNFRB-NEPJUHHUSA-N 1 0 307.350 1.559 20 5 DDBDRO COC(=O)C1(C[NH2+]Cc2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000274977341 212054170 /nfs/dbraw/zinc/05/41/70/212054170.db2.gz BGTGKFTXVACRLH-UHFFFAOYSA-N 1 0 324.333 1.655 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCN(CCOC)C1 ZINC000264603652 204023086 /nfs/dbraw/zinc/02/30/86/204023086.db2.gz NZPABKNCSPSSHY-AWEZNQCLSA-N 1 0 323.393 1.804 20 5 DDBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000264683938 204077274 /nfs/dbraw/zinc/07/72/74/204077274.db2.gz LFYNKGWMZAZFTH-CQSZACIVSA-N 1 0 321.377 1.964 20 5 DDBDRO CCc1n[nH]c(C(=O)NCC[N@@H+]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000264662031 204060579 /nfs/dbraw/zinc/06/05/79/204060579.db2.gz IUSDWRGZJSJFBV-SNVBAGLBSA-N 1 0 309.370 1.485 20 5 DDBDRO C[C@@H]([NH2+][C@@H](C)Cn1cccn1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000264887422 204241765 /nfs/dbraw/zinc/24/17/65/204241765.db2.gz SKAVQUWZVZPWHH-NWDGAFQWSA-N 1 0 317.349 1.797 20 5 DDBDRO COC(=O)c1cc(C(=O)N[C@H](C)CC[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000264912562 204263190 /nfs/dbraw/zinc/26/31/90/204263190.db2.gz NUAGOLBQBGSURQ-SNVBAGLBSA-N 1 0 323.349 1.451 20 5 DDBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2[nH]nc(C)c2[N+](=O)[O-])C1 ZINC000266309774 205256366 /nfs/dbraw/zinc/25/63/66/205256366.db2.gz NUHYABMXWZGRFH-LLVKDONJSA-N 1 0 309.370 1.430 20 5 DDBDRO C[N@H+]1C[C@H]2CN(C(=O)C(C)(C)c3ccccc3[N+](=O)[O-])C[C@H]2C1 ZINC000351590020 284397688 /nfs/dbraw/zinc/39/76/88/284397688.db2.gz POQGOUMFMCDUNK-BETUJISGSA-N 1 0 317.389 1.892 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@](C)(O)C[NH+](C)C)c1 ZINC000336861972 249270169 /nfs/dbraw/zinc/27/01/69/249270169.db2.gz BPLHQBPFEZNNCJ-CQSZACIVSA-N 1 0 311.338 1.106 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000337147828 249365898 /nfs/dbraw/zinc/36/58/98/249365898.db2.gz QCWRUTRXEVYQSS-OLZOCXBDSA-N 1 0 323.397 1.508 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000043963247 183390506 /nfs/dbraw/zinc/39/05/06/183390506.db2.gz DXXMHBICOVDMNJ-UHFFFAOYSA-N 1 0 304.350 1.655 20 5 DDBDRO CCOC(=O)[C@@H](C)[C@H](C)[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000274126853 211379267 /nfs/dbraw/zinc/37/92/67/211379267.db2.gz XXDLSIWWDLNVKV-UWVGGRQHSA-N 1 0 323.349 1.371 20 5 DDBDRO CC(C)[C@H](CCO)[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000274061202 211318384 /nfs/dbraw/zinc/31/83/84/211318384.db2.gz QIYDQGMHJIIGJF-AWEZNQCLSA-N 1 0 309.366 1.554 20 5 DDBDRO C[C@H]([NH2+][C@@H](C)c1cn[nH]c1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000273928448 211184250 /nfs/dbraw/zinc/18/42/50/211184250.db2.gz CCHSIIIGWXORJL-UWVGGRQHSA-N 1 0 303.322 1.996 20 5 DDBDRO O=[N+]([O-])c1ccc(CS(=O)(=O)NCC[C@@H]2CC[NH2+]C2)cc1 ZINC000110797186 194359216 /nfs/dbraw/zinc/35/92/16/194359216.db2.gz UMBASLCFMZKAOB-NSHDSACASA-N 1 0 313.379 1.014 20 5 DDBDRO C[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000060855818 184156883 /nfs/dbraw/zinc/15/68/83/184156883.db2.gz XDNRTVYUOQFWGB-UHFFFAOYSA-N 1 0 308.294 1.327 20 5 DDBDRO Cc1nn(C)c(C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c1[N+](=O)[O-] ZINC000269104754 207243404 /nfs/dbraw/zinc/24/34/04/207243404.db2.gz BLXKJRCGHSHNLZ-RYUDHWBXSA-N 1 0 321.381 1.193 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCNC(=O)CC1 ZINC000065955327 184383954 /nfs/dbraw/zinc/38/39/54/184383954.db2.gz LRRDUTAIGJUJAV-UHFFFAOYSA-N 1 0 320.349 1.054 20 5 DDBDRO C[C@H]1CC[N@H+](C)CCN1C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000352432627 285046673 /nfs/dbraw/zinc/04/66/73/285046673.db2.gz UNNYFBNGQXKARM-JTQLQIEISA-N 1 0 321.333 1.490 20 5 DDBDRO C[NH2+][C@H]1CCCN(C(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)C1 ZINC000422764557 533023105 /nfs/dbraw/zinc/02/31/05/533023105.db2.gz JYELDYVDDFMZHK-LBPRGKRZSA-N 1 0 321.333 1.205 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000286329487 218921001 /nfs/dbraw/zinc/92/10/01/218921001.db2.gz VETPNMWUMZHINY-FUNVUKJBSA-N 1 0 321.381 1.183 20 5 DDBDRO C[C@@]1([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)CCO[C@H]1C1CC1 ZINC000273002528 210381104 /nfs/dbraw/zinc/38/11/04/210381104.db2.gz AJMYELNDAGXUFH-LSDHHAIUSA-N 1 0 307.350 1.304 20 5 DDBDRO C[NH+](C)[C@@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])c1cccs1 ZINC000158986604 197315940 /nfs/dbraw/zinc/31/59/40/197315940.db2.gz VOYFWODXDZUECJ-QMMMGPOBSA-N 1 0 309.351 1.412 20 5 DDBDRO C[C@]1(CNC(=O)COc2ccccc2[N+](=O)[O-])CCC[NH2+]C1 ZINC000272962211 210347943 /nfs/dbraw/zinc/34/79/43/210347943.db2.gz GANNLLQKECWVGR-HNNXBMFYSA-N 1 0 307.350 1.480 20 5 DDBDRO COC1CC[NH+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000272947510 210333435 /nfs/dbraw/zinc/33/34/35/210333435.db2.gz PCTGBBPUVLVRKL-LBPRGKRZSA-N 1 0 310.350 1.445 20 5 DDBDRO COC(=O)[C@@]1(C)CC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000352546494 285131288 /nfs/dbraw/zinc/13/12/88/285131288.db2.gz WCQCUGSKJXQUIW-HNNXBMFYSA-N 1 0 308.334 1.988 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CC[C@H]([NH+]3CC=CC3)C2)c([N+](=O)[O-])c1 ZINC000266241019 285130295 /nfs/dbraw/zinc/13/02/95/285130295.db2.gz LIGFLDZZVVFZEW-LBPRGKRZSA-N 1 0 304.306 1.954 20 5 DDBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000158157794 197248155 /nfs/dbraw/zinc/24/81/55/197248155.db2.gz HGLSMXDICWRIFL-INIZCTEOSA-N 1 0 303.362 1.739 20 5 DDBDRO CN(C(=O)C1CC[NH+](C2CC2)CC1)c1ccc([N+](=O)[O-])nc1 ZINC000288756283 220394096 /nfs/dbraw/zinc/39/40/96/220394096.db2.gz IKNPKANNULUINS-UHFFFAOYSA-N 1 0 304.350 1.827 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[NH2+]C(C)(C)C1 ZINC000415510810 533139585 /nfs/dbraw/zinc/13/95/85/533139585.db2.gz ZVIMKNJJEDHPOF-UHFFFAOYSA-N 1 0 308.338 1.819 20 5 DDBDRO C[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1CCC[C@H]1O ZINC000352657974 285201724 /nfs/dbraw/zinc/20/17/24/285201724.db2.gz CPNFMVGJLPMTBJ-CHWSQXEVSA-N 1 0 318.333 1.990 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)[C@H]1CCC[C@H]1O ZINC000352701039 285238878 /nfs/dbraw/zinc/23/88/78/285238878.db2.gz VFZYMSKBJSTRFK-UONOGXRCSA-N 1 0 307.350 1.687 20 5 DDBDRO COc1cc(OCC(=O)NCC2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000120517146 195181902 /nfs/dbraw/zinc/18/19/02/195181902.db2.gz WZAJQOMCWFMWFU-UHFFFAOYSA-N 1 0 323.349 1.098 20 5 DDBDRO O=C(COc1ccccc1[N+](=O)[O-])NCCC[C@@H]1CCC[NH2+]1 ZINC000294939098 224325440 /nfs/dbraw/zinc/32/54/40/224325440.db2.gz VFTFVGDDOVASCH-LBPRGKRZSA-N 1 0 307.350 1.622 20 5 DDBDRO CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000289900265 221302872 /nfs/dbraw/zinc/30/28/72/221302872.db2.gz JDDQFQOLHVQMNS-GJZGRUSLSA-N 1 0 305.378 1.888 20 5 DDBDRO CCOc1cc(C(=O)NCCC[NH2+]C)c([N+](=O)[O-])cc1OC ZINC000121055769 195288423 /nfs/dbraw/zinc/28/84/23/195288423.db2.gz GLBYEVMYTTZGLZ-UHFFFAOYSA-N 1 0 311.338 1.341 20 5 DDBDRO CO[C@@H]1CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000451539474 533415802 /nfs/dbraw/zinc/41/58/02/533415802.db2.gz FISFUGJRPFNBHY-DUVNUKRYSA-N 1 0 324.377 1.691 20 5 DDBDRO COc1cc(C(=O)NCC[NH2+]C(C)(C)C)c([N+](=O)[O-])cc1F ZINC000449911002 533533347 /nfs/dbraw/zinc/53/33/47/533533347.db2.gz JBJGMOSDUZTICK-UHFFFAOYSA-N 1 0 313.329 1.860 20 5 DDBDRO Cc1n[nH]c(C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000299503934 533665947 /nfs/dbraw/zinc/66/59/47/533665947.db2.gz DPBYZWLSUSXWOT-JTQLQIEISA-N 1 0 323.397 1.867 20 5 DDBDRO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCC[N@H+](CC2CCC2)CC1 ZINC000568487945 304295517 /nfs/dbraw/zinc/29/55/17/304295517.db2.gz VFTOYSYVWQQVKY-UHFFFAOYSA-N 1 0 306.366 1.871 20 5 DDBDRO CC[C@H](CO)[NH2+]Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000353210562 285598476 /nfs/dbraw/zinc/59/84/76/285598476.db2.gz PVDZZPSVBXPPLM-LLVKDONJSA-N 1 0 312.322 1.007 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000579702784 422816662 /nfs/dbraw/zinc/81/66/62/422816662.db2.gz GBXMVVHVWMRIEA-GXFFZTMASA-N 1 0 307.350 1.945 20 5 DDBDRO O=C(NCc1cccc([N+](=O)[O-])c1)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000568996760 304328576 /nfs/dbraw/zinc/32/85/76/304328576.db2.gz BLOMLIRKTDNDIW-YHWZYXNKSA-N 1 0 317.345 1.026 20 5 DDBDRO Cn1cc(CC[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cn1 ZINC000353593258 285819338 /nfs/dbraw/zinc/81/93/38/285819338.db2.gz CNYBAKPIZZQJBC-UONOGXRCSA-N 1 0 318.381 1.841 20 5 DDBDRO Cn1c(Sc2ccncc2[N+](=O)[O-])nnc1C1CC[NH2+]CC1 ZINC000360910689 306991055 /nfs/dbraw/zinc/99/10/55/306991055.db2.gz XGDRHHCFJFNPPP-UHFFFAOYSA-N 1 0 320.378 1.737 20 5 DDBDRO COC(=O)COc1ccc(C[NH2+][C@@H]2CO[C@H](C)C2)cc1[N+](=O)[O-] ZINC000569845073 304382301 /nfs/dbraw/zinc/38/23/01/304382301.db2.gz MTNKSPBELRJTSX-PWSUYJOCSA-N 1 0 324.333 1.414 20 5 DDBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000079670166 407060746 /nfs/dbraw/zinc/06/07/46/407060746.db2.gz JPFJZVVRNBKJRE-CYBMUJFWSA-N 1 0 318.377 1.878 20 5 DDBDRO O=C(NC1CC1)[C@H]1CCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000054987137 407192544 /nfs/dbraw/zinc/19/25/44/407192544.db2.gz IPACYHGRJIEKNL-OAHLLOKOSA-N 1 0 303.362 1.880 20 5 DDBDRO CNC(=O)C1CC[NH+](Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000051505312 407139739 /nfs/dbraw/zinc/13/97/39/407139739.db2.gz WJQDZPSUOHLVHH-UHFFFAOYSA-N 1 0 307.350 1.561 20 5 DDBDRO Cc1c(C(=O)NC2CC[NH+](C)CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000054533924 407185712 /nfs/dbraw/zinc/18/57/12/407185712.db2.gz UZJJGCLMORFTIN-UHFFFAOYSA-N 1 0 322.321 1.635 20 5 DDBDRO COc1ccc(C[NH2+]CC2(OC)CCOCC2)cc1[N+](=O)[O-] ZINC000123175121 407321686 /nfs/dbraw/zinc/32/16/86/407321686.db2.gz XIEQANKQOAZMDW-UHFFFAOYSA-N 1 0 310.350 1.889 20 5 DDBDRO C[NH+](C)C[C@@](C)(O)CNC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000123867565 407340898 /nfs/dbraw/zinc/34/08/98/407340898.db2.gz DABDPOJEZDMEFF-ZDUSSCGKSA-N 1 0 315.757 1.291 20 5 DDBDRO CN(CC1CC[NH+](C)CC1)C(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000103531831 407341679 /nfs/dbraw/zinc/34/16/79/407341679.db2.gz IUGAQZDVMSYXQK-UHFFFAOYSA-N 1 0 308.338 1.109 20 5 DDBDRO COc1ccc(NC(=O)CN(C)[C@H]2CCOC2)c([N+](=O)[O-])c1 ZINC000106884609 407365069 /nfs/dbraw/zinc/36/50/69/407365069.db2.gz UCJCTGUVLQTSGU-JTQLQIEISA-N 1 0 309.322 1.263 20 5 DDBDRO O=C1[C@@H]([NH2+]CCn2cccn2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000109133134 407395179 /nfs/dbraw/zinc/39/51/79/407395179.db2.gz VHYIJQGKKTVZDO-AWEZNQCLSA-N 1 0 315.333 1.186 20 5 DDBDRO CC[NH2+]Cc1cccc(NC(=O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000178422524 407450467 /nfs/dbraw/zinc/45/04/67/407450467.db2.gz FKAJISNZYBZGLV-UHFFFAOYSA-N 1 0 303.322 1.540 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@H](C[NH+](C)C)C1 ZINC000114480522 407585184 /nfs/dbraw/zinc/58/51/84/407585184.db2.gz DEAMCXUWHKPKCO-CYBMUJFWSA-N 1 0 320.393 1.725 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)C[C@@H]1CCOC1 ZINC000178760043 407589755 /nfs/dbraw/zinc/58/97/55/407589755.db2.gz FNNGOLQTRZYCFE-LBPRGKRZSA-N 1 0 307.350 1.810 20 5 DDBDRO C[C@H]([NH3+])CCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000178634863 407519024 /nfs/dbraw/zinc/51/90/24/407519024.db2.gz RJTQXHHCCMVCCU-NSHDSACASA-N 1 0 306.366 1.662 20 5 DDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NCC[C@H](C)[NH3+])cc1OC ZINC000178637645 407522503 /nfs/dbraw/zinc/52/25/03/407522503.db2.gz LSYOVKUOWZIHGC-VIFPVBQESA-N 1 0 311.338 1.469 20 5 DDBDRO O=[N+]([O-])c1cnn(CCN2CC[NH2+]C[C@H]2c2cccc(F)c2)c1 ZINC000261826370 407630990 /nfs/dbraw/zinc/63/09/90/407630990.db2.gz SPNONFJXMRXDFH-HNNXBMFYSA-N 1 0 319.340 1.577 20 5 DDBDRO CCCN(C(=O)CN(C)c1ccccc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000178908136 407648883 /nfs/dbraw/zinc/64/88/83/407648883.db2.gz YSVILDSASKLWQV-CYBMUJFWSA-N 1 0 320.393 1.632 20 5 DDBDRO [NH3+][C@H]1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000152250147 407595763 /nfs/dbraw/zinc/59/57/63/407595763.db2.gz NIETUOFXHOCFDI-QMMMGPOBSA-N 1 0 314.139 1.531 20 5 DDBDRO C[C@]1(C[NH3+])CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000261737968 407596103 /nfs/dbraw/zinc/59/61/03/407596103.db2.gz DDGVDICTZJENNL-OAHLLOKOSA-N 1 0 306.366 1.594 20 5 DDBDRO C[C@@]1(C[NH3+])CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000261923741 407675902 /nfs/dbraw/zinc/67/59/02/407675902.db2.gz YYGVEEABTFVBHF-HNNXBMFYSA-N 1 0 317.349 1.816 20 5 DDBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000179066789 407710106 /nfs/dbraw/zinc/71/01/06/407710106.db2.gz RVKPMYNTENTNKA-CMPLNLGQSA-N 1 0 309.391 1.896 20 5 DDBDRO CC[C@H](CO)[NH+]1CCN(Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000267023322 407720095 /nfs/dbraw/zinc/72/00/95/407720095.db2.gz KUAYCEACGVSBHA-CYBMUJFWSA-N 1 0 311.357 1.622 20 5 DDBDRO COC(=O)C[C@@H]1CCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000179148131 407738234 /nfs/dbraw/zinc/73/82/34/407738234.db2.gz UODBSBRXOLKICN-LBPRGKRZSA-N 1 0 321.333 1.221 20 5 DDBDRO C[N@H+](CC1(CO)CC1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000186785016 407770752 /nfs/dbraw/zinc/77/07/52/407770752.db2.gz XPZOUEPNCITEKX-CQSZACIVSA-N 1 0 319.361 1.404 20 5 DDBDRO CCOc1cc(N2CC[NH+](C[C@H](C)O)CC2)ccc1[N+](=O)[O-] ZINC000267201846 407787446 /nfs/dbraw/zinc/78/74/46/407787446.db2.gz JKPNESRNEWJLCB-LBPRGKRZSA-N 1 0 309.366 1.496 20 5 DDBDRO Cc1cc(S(=O)(=O)N2CCC[C@@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000237783893 407841379 /nfs/dbraw/zinc/84/13/79/407841379.db2.gz WKQXSUGZNHPKEM-NSHDSACASA-N 1 0 313.379 1.263 20 5 DDBDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000272223245 407822307 /nfs/dbraw/zinc/82/23/07/407822307.db2.gz IVWWLECLCFLTDL-MNOVXSKESA-N 1 0 309.391 1.883 20 5 DDBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000262587154 407875253 /nfs/dbraw/zinc/87/52/53/407875253.db2.gz ZWRWMYPKOMWTMG-BBRMVZONSA-N 1 0 304.394 1.635 20 5 DDBDRO Cc1cc(S(=O)(=O)N2CCC[C@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000237784466 407843386 /nfs/dbraw/zinc/84/33/86/407843386.db2.gz WKQXSUGZNHPKEM-LLVKDONJSA-N 1 0 313.379 1.263 20 5 DDBDRO COc1cc(OCC(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)ccc1[N+](=O)[O-] ZINC000272266801 407843331 /nfs/dbraw/zinc/84/33/31/407843331.db2.gz NFNATLCEXANPKX-MNOVXSKESA-N 1 0 323.349 1.178 20 5 DDBDRO COc1cc(C(=O)N2CC[C@H]([C@H](C)[NH3+])C2)cc([N+](=O)[O-])c1OC ZINC000272273750 407845260 /nfs/dbraw/zinc/84/52/60/407845260.db2.gz NXHXICOKBAKVCM-UWVGGRQHSA-N 1 0 323.349 1.421 20 5 DDBDRO CN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C[C@@H]1CCC[N@H+](C)C1 ZINC000118841581 407954763 /nfs/dbraw/zinc/95/47/63/407954763.db2.gz RZPPKMJOWJODGK-GFCCVEGCSA-N 1 0 320.393 1.467 20 5 DDBDRO C[C@@H]1CN(C(=O)CCOc2ccccc2[N+](=O)[O-])[C@@H](C)C[NH2+]1 ZINC000272548228 407975142 /nfs/dbraw/zinc/97/51/42/407975142.db2.gz KLNPVQDSCIRHCM-NEPJUHHUSA-N 1 0 307.350 1.573 20 5 DDBDRO CCc1n[nH]c(C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000268261568 407976483 /nfs/dbraw/zinc/97/64/83/407976483.db2.gz ZJLIJBMCKPXAKK-LDYMZIIASA-N 1 0 307.354 1.093 20 5 DDBDRO C[C@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000262808385 407942269 /nfs/dbraw/zinc/94/22/69/407942269.db2.gz XLJUSXMCDGCPNC-GWCFXTLKSA-N 1 0 313.379 1.012 20 5 DDBDRO Cc1ccc(CN2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000245717500 408051655 /nfs/dbraw/zinc/05/16/55/408051655.db2.gz HGWBWQIDUHATOL-KBPBESRZSA-N 1 0 307.394 1.790 20 5 DDBDRO C[C@H](CNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1)[NH+](C)C ZINC000272561459 407986980 /nfs/dbraw/zinc/98/69/80/407986980.db2.gz PVQLYTGOTVGJHF-SSDOTTSWSA-N 1 0 309.351 1.279 20 5 DDBDRO COC(=O)[C@H](O)C1CC[NH+](Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000135382109 408009088 /nfs/dbraw/zinc/00/90/88/408009088.db2.gz ZBBGLROLQQQQPZ-OAHLLOKOSA-N 1 0 322.361 1.649 20 5 DDBDRO CC[C@@H]1C[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000273121058 408064746 /nfs/dbraw/zinc/06/47/46/408064746.db2.gz HMMOILAFVIHNSM-BZPMIXESSA-N 1 0 310.350 1.037 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@H](CO)C1 ZINC000182171086 408086467 /nfs/dbraw/zinc/08/64/67/408086467.db2.gz TYTJKUCFSCMHCS-STQMWFEESA-N 1 0 310.350 1.039 20 5 DDBDRO C[NH+]1CCC(CC(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 ZINC000273262529 408130636 /nfs/dbraw/zinc/13/06/36/408130636.db2.gz YEGKQKXBIWCICI-UHFFFAOYSA-N 1 0 305.378 1.985 20 5 DDBDRO C[NH+](C)[C@@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000137054313 408139415 /nfs/dbraw/zinc/13/94/15/408139415.db2.gz LZBOFVNJAVNIEN-NSHDSACASA-N 1 0 321.312 1.490 20 5 DDBDRO C[C@H](CCNC(=O)c1nn(C)cc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000273332916 408157798 /nfs/dbraw/zinc/15/77/98/408157798.db2.gz YYSNLJDWWPERMD-LLVKDONJSA-N 1 0 309.370 1.323 20 5 DDBDRO O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CCC(O)CC1 ZINC000121405737 408202708 /nfs/dbraw/zinc/20/27/08/408202708.db2.gz GYHFMXQFGXFDPN-UHFFFAOYSA-N 1 0 316.317 1.377 20 5 DDBDRO C[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)CC1CCOCC1 ZINC000155951180 408226547 /nfs/dbraw/zinc/22/65/47/408226547.db2.gz LOFZDICNQLRPCR-HNNXBMFYSA-N 1 0 324.377 1.693 20 5 DDBDRO CC1CCC([NH+]2CCN(CCn3ccc([N+](=O)[O-])n3)CC2)CC1 ZINC000176246726 408322923 /nfs/dbraw/zinc/32/29/23/408322923.db2.gz ALAMLKCVPPPOTH-UHFFFAOYSA-N 1 0 321.425 1.988 20 5 DDBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C1 ZINC000176086472 408282624 /nfs/dbraw/zinc/28/26/24/408282624.db2.gz VQQQHQIITQYYLO-SNVBAGLBSA-N 1 0 308.338 1.109 20 5 DDBDRO C[NH+](C)[C@@H]1CCN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])C1 ZINC000263980823 408335391 /nfs/dbraw/zinc/33/53/91/408335391.db2.gz BDZNMOBKOVBXMA-CYBMUJFWSA-N 1 0 318.377 1.627 20 5 DDBDRO CC(C)C[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000183365467 408391289 /nfs/dbraw/zinc/39/12/89/408391289.db2.gz HUPCOAFIPPKPOZ-UHFFFAOYSA-N 1 0 321.381 1.422 20 5 DDBDRO CC(C)[C@@H]1C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCS1 ZINC000247237139 408436096 /nfs/dbraw/zinc/43/60/96/408436096.db2.gz DKFYHXZEQKVNIN-OLZOCXBDSA-N 1 0 314.411 1.226 20 5 DDBDRO C[NH+](C)C1(CNc2ccc([N+](=O)[O-])c(N)c2F)CCOCC1 ZINC000274707266 408502460 /nfs/dbraw/zinc/50/24/60/408502460.db2.gz WNYGVLNWZZNPHL-UHFFFAOYSA-N 1 0 312.345 1.839 20 5 DDBDRO CC(C)(C)C1=CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000270386475 408513277 /nfs/dbraw/zinc/51/32/77/408513277.db2.gz RJHLFQJIERXJRQ-AWEZNQCLSA-N 1 0 308.382 1.830 20 5 DDBDRO COCC[N@@H+]1CC[C@H](NC(=O)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000264545899 408530053 /nfs/dbraw/zinc/53/00/53/408530053.db2.gz OFBOKHXSEIYRIR-ZDUSSCGKSA-N 1 0 307.350 1.354 20 5 DDBDRO CC[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C[C@H](C)O ZINC000247438242 408469557 /nfs/dbraw/zinc/46/95/57/408469557.db2.gz ZLMUXWNHUOOKLZ-ZFWWWQNUSA-N 1 0 307.394 1.872 20 5 DDBDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000160382753 408475496 /nfs/dbraw/zinc/47/54/96/408475496.db2.gz RMXGBVGCPQYSHY-AWEZNQCLSA-N 1 0 307.350 1.171 20 5 DDBDRO C[NH+]1CCC(CCNC(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000184122160 408552674 /nfs/dbraw/zinc/55/26/74/408552674.db2.gz SGOORGJDMBSTJK-UHFFFAOYSA-N 1 0 307.354 1.034 20 5 DDBDRO O=C(N[C@H]1CCN(c2ccccn2)C1)c1ccccc1[N+](=O)[O-] ZINC000161324683 408587713 /nfs/dbraw/zinc/58/77/13/408587713.db2.gz SVSHKIUBBOCFSL-LBPRGKRZSA-N 1 0 312.329 1.999 20 5 DDBDRO COC[C@](C)([NH3+])CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000265257861 408593390 /nfs/dbraw/zinc/59/33/90/408593390.db2.gz USCMZHLVGGDNLU-CQSZACIVSA-N 1 0 308.338 1.255 20 5 DDBDRO C[N@H+]1C[C@H]2CN(C(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)C[C@H]2C1 ZINC000192474562 408596012 /nfs/dbraw/zinc/59/60/12/408596012.db2.gz YWODBLIEMMBPJV-AOOOYVTPSA-N 1 0 315.333 1.105 20 5 DDBDRO Cc1ccnc(N(C)CCCN2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000265272680 408598915 /nfs/dbraw/zinc/59/89/15/408598915.db2.gz UZRMVNOORUMMCF-UHFFFAOYSA-N 1 0 307.398 1.372 20 5 DDBDRO C[C@@H]1C[C@H](NC(=O)c2ccc(N)c([N+](=O)[O-])c2)C[N@@H+]1C1CC1 ZINC000177154555 408537511 /nfs/dbraw/zinc/53/75/11/408537511.db2.gz XZBJJXOBUOCYFP-KOLCDFICSA-N 1 0 304.350 1.532 20 5 DDBDRO COc1cccc(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000192532333 408605862 /nfs/dbraw/zinc/60/58/62/408605862.db2.gz QMHAKDDIBYTJLU-LLVKDONJSA-N 1 0 305.334 1.524 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000178866079 162694839 /nfs/dbraw/zinc/69/48/39/162694839.db2.gz PFNWZJSSJKLRCG-SNVBAGLBSA-N 1 0 307.350 1.803 20 5 DDBDRO C[NH2+]C1CCN(C(=O)COc2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000179136875 162712935 /nfs/dbraw/zinc/71/29/35/162712935.db2.gz WUMQSBAAPQISLZ-UHFFFAOYSA-N 1 0 323.349 1.193 20 5 DDBDRO Cc1ccc(C)c(S(=O)(=O)N2CCC[NH2+]CC2)c1[N+](=O)[O-] ZINC000193232618 408705677 /nfs/dbraw/zinc/70/56/77/408705677.db2.gz LWYQBNBLVWLODS-UHFFFAOYSA-N 1 0 313.379 1.196 20 5 DDBDRO C[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C[C@H]1CCC[C@@H]1O ZINC000162490873 408707816 /nfs/dbraw/zinc/70/78/16/408707816.db2.gz IIQRPQSOFIXUDC-INWMFGNUSA-N 1 0 324.377 1.427 20 5 DDBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000270859338 408712307 /nfs/dbraw/zinc/71/23/07/408712307.db2.gz ZOOOJOXTTRFXPD-NSHDSACASA-N 1 0 309.370 1.323 20 5 DDBDRO C[C@@H]1[C@@H](C)[S@](=O)CCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000265658479 408733631 /nfs/dbraw/zinc/73/36/31/408733631.db2.gz WTMFKTKUHAYWBB-JWCBKOKGSA-N 1 0 312.391 1.815 20 5 DDBDRO Cc1c(CC(=O)NC[C@H](C2CC2)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000162192608 408679067 /nfs/dbraw/zinc/67/90/67/408679067.db2.gz YTAYTDLZTHZDQF-OAHLLOKOSA-N 1 0 305.378 1.902 20 5 DDBDRO CC(C)(C)[C@@H](CO)[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000193107771 408693599 /nfs/dbraw/zinc/69/35/99/408693599.db2.gz IFXLOIBAVSLQMA-CQSZACIVSA-N 1 0 321.377 1.481 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC2CC[NH+](C)CC2)c1 ZINC000280878940 408851146 /nfs/dbraw/zinc/85/11/46/408851146.db2.gz CJCAOHPHCNDCJW-UHFFFAOYSA-N 1 0 321.377 1.883 20 5 DDBDRO Cc1cc(OCC(=O)N2[C@@H](C)C[NH+](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000281760362 408925758 /nfs/dbraw/zinc/92/57/58/408925758.db2.gz SMXPQEIQVYPGGT-STQMWFEESA-N 1 0 321.377 1.833 20 5 DDBDRO Cc1csc([C@H](C)[NH2+]CCn2cc([N+](=O)[O-])ccc2=O)n1 ZINC000184281750 306713662 /nfs/dbraw/zinc/71/36/62/306713662.db2.gz SIMKEBURZGWMCS-JTQLQIEISA-N 1 0 308.363 1.872 20 5 DDBDRO O=[N+]([O-])c1cnc(NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c(Cl)c1 ZINC000227650796 163339447 /nfs/dbraw/zinc/33/94/47/163339447.db2.gz JFLGLJUACKKVPX-KOLCDFICSA-N 1 0 312.757 1.918 20 5 DDBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3cccc([O-])c3[N+](=O)[O-])[C@@H]2C1 ZINC000286397594 408976182 /nfs/dbraw/zinc/97/61/82/408976182.db2.gz NMNACGXAJQERBM-CMPLNLGQSA-N 1 0 305.334 1.467 20 5 DDBDRO COc1ccc(NC(=O)CN(C)C2(CO)CCC2)c([N+](=O)[O-])c1 ZINC000292179687 408995792 /nfs/dbraw/zinc/99/57/92/408995792.db2.gz QMRKCURWXGAOFJ-UHFFFAOYSA-N 1 0 323.349 1.389 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@@H](C)C[NH+](C)C)c1C ZINC000286819442 408999885 /nfs/dbraw/zinc/99/98/85/408999885.db2.gz VAMNDZZHIAQTOG-JTQLQIEISA-N 1 0 315.395 1.440 20 5 DDBDRO CCC[C@@]1(CO)CCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000277755317 409005793 /nfs/dbraw/zinc/00/57/93/409005793.db2.gz LULBGMZOUHTLOJ-HNNXBMFYSA-N 1 0 309.366 1.384 20 5 DDBDRO C[C@H]([NH2+][C@H]1CCOC[C@@H]1C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000277900429 409031739 /nfs/dbraw/zinc/03/17/39/409031739.db2.gz OXZJRPDDRNPVKG-MJVIPROJSA-N 1 0 307.350 1.936 20 5 DDBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000293521414 409130570 /nfs/dbraw/zinc/13/05/70/409130570.db2.gz UIWFATFESYZJPU-STQMWFEESA-N 1 0 318.377 1.607 20 5 DDBDRO O=c1[nH]c(NCC[N@H+]2CC=CCC2)nc2ccc([N+](=O)[O-])cc21 ZINC000287949834 409121014 /nfs/dbraw/zinc/12/10/14/409121014.db2.gz YHBFIYUXILGNFO-UHFFFAOYSA-N 1 0 315.333 1.917 20 5 DDBDRO O=C(COc1cccc([N+](=O)[O-])c1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000293584300 409143371 /nfs/dbraw/zinc/14/33/71/409143371.db2.gz YTKDAURPXRKHQZ-SMDDNHRTSA-N 1 0 305.334 1.184 20 5 DDBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000288590578 409171119 /nfs/dbraw/zinc/17/11/19/409171119.db2.gz YBGGPJKZVBMZRW-NEPJUHHUSA-N 1 0 318.377 1.876 20 5 DDBDRO O=C(N[C@H]1CCC[N@@H+](CCCO)C1)c1ccc([N+](=O)[O-])cc1 ZINC000295502655 409319441 /nfs/dbraw/zinc/31/94/41/409319441.db2.gz PIEMXRPWXIXDQC-ZDUSSCGKSA-N 1 0 307.350 1.171 20 5 DDBDRO CC(C)S(=O)(=O)CC[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294295066 409273637 /nfs/dbraw/zinc/27/36/37/409273637.db2.gz MYDPAZADRQRMDC-JTQLQIEISA-N 1 0 315.395 1.651 20 5 DDBDRO COCCOC[C@@H](O)C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000295299179 409420248 /nfs/dbraw/zinc/42/02/48/409420248.db2.gz JXPQGKOYLOSRIS-HNNXBMFYSA-N 1 0 312.366 1.093 20 5 DDBDRO CNc1c(C(=O)NCC[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000316993349 164025508 /nfs/dbraw/zinc/02/55/08/164025508.db2.gz JTHCADPCSMOQHV-UHFFFAOYSA-N 1 0 306.366 1.852 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H]2C[N@H+](C)CCN2C)c1 ZINC000322499186 164046649 /nfs/dbraw/zinc/04/66/49/164046649.db2.gz DAYWAOMJMLQIMJ-GFCCVEGCSA-N 1 0 322.365 1.039 20 5 DDBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CC[C@@H](CO)O2)c(Cl)c1 ZINC000353700601 164124344 /nfs/dbraw/zinc/12/43/44/164124344.db2.gz DGZXQHRNIHHWQU-RYUDHWBXSA-N 1 0 300.742 1.878 20 5 DDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000408028971 164202575 /nfs/dbraw/zinc/20/25/75/164202575.db2.gz VMODWNOVYOAALR-NEPJUHHUSA-N 1 0 309.370 1.029 20 5 DDBDRO C[C@@H](C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])CS(C)(=O)=O ZINC000342301916 409570232 /nfs/dbraw/zinc/57/02/32/409570232.db2.gz NKCIRHREEJXORL-QWRGUYRKSA-N 1 0 300.380 1.926 20 5 DDBDRO C[C@@H]1CC(C)(C)C[C@@](CO)([NH2+]CCn2cc([N+](=O)[O-])cn2)C1 ZINC000304716010 409641375 /nfs/dbraw/zinc/64/13/75/409641375.db2.gz NCYWBPXMDWMLAU-DOMZBBRYSA-N 1 0 310.398 1.958 20 5 DDBDRO Cc1ccc(S(=O)(=O)NCC[N@@H+](C)C2CC2)c([N+](=O)[O-])c1 ZINC000337940580 409586051 /nfs/dbraw/zinc/58/60/51/409586051.db2.gz LFTDLVTUACMKQX-UHFFFAOYSA-N 1 0 313.379 1.276 20 5 DDBDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000356843268 409656909 /nfs/dbraw/zinc/65/69/09/409656909.db2.gz GIBLQKDZLQTATP-CHWSQXEVSA-N 1 0 320.393 1.582 20 5 DDBDRO COCCOC[C@@H](O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000296851640 409666342 /nfs/dbraw/zinc/66/63/42/409666342.db2.gz UJZQQMCCVXTDPZ-INIZCTEOSA-N 1 0 324.377 1.583 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@H](C)C[NH+](C)C)c1 ZINC000346132844 409810845 /nfs/dbraw/zinc/81/08/45/409810845.db2.gz IVRPQNBJNKVBCV-GFCCVEGCSA-N 1 0 309.366 1.738 20 5 DDBDRO CCC[NH+]1CCC(CNC(=O)Cn2cc([N+](=O)[O-])nc2C)CC1 ZINC000346646689 410055714 /nfs/dbraw/zinc/05/57/14/410055714.db2.gz BYCIFHZFHBHPJF-UHFFFAOYSA-N 1 0 323.397 1.338 20 5 DDBDRO Cc1c(NC(=O)[C@@H](C)N2CCC[N@H+](C)CC2)cccc1[N+](=O)[O-] ZINC000298087951 410109026 /nfs/dbraw/zinc/10/90/26/410109026.db2.gz PZWPFJRQRDEMLI-CYBMUJFWSA-N 1 0 320.393 1.868 20 5 DDBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC[N@H+](C)CC1 ZINC000298642896 410327145 /nfs/dbraw/zinc/32/71/45/410327145.db2.gz RVFUXRIOZCZBOE-LBPRGKRZSA-N 1 0 306.366 1.559 20 5 DDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C[C@H](C)[NH+](C)[C@@H](C)C1 ZINC000339612241 410328374 /nfs/dbraw/zinc/32/83/74/410328374.db2.gz FQJOTUBRKVGDKM-RWMBFGLXSA-N 1 0 320.393 1.946 20 5 DDBDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2cc([N+](=O)[O-])cnc2N)C[C@@H]1C ZINC000351940183 410354105 /nfs/dbraw/zinc/35/41/05/410354105.db2.gz ZUCYTKUUCNAYSQ-UWVGGRQHSA-N 1 0 307.354 1.127 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000347004173 410306288 /nfs/dbraw/zinc/30/62/88/410306288.db2.gz BGCTZCGMAQWNFM-CYBMUJFWSA-N 1 0 319.361 1.912 20 5 DDBDRO C[C@H]1[C@@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)CCC[N@@H+]1C ZINC000343459817 410471402 /nfs/dbraw/zinc/47/14/02/410471402.db2.gz SHYHHJKYZNGYOU-FZMZJTMJSA-N 1 0 307.350 1.573 20 5 DDBDRO CC(C)[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C[C@H](C)O ZINC000343511143 410499992 /nfs/dbraw/zinc/49/99/92/410499992.db2.gz NCZAJAZJKPNJRE-QWHCGFSZSA-N 1 0 312.366 1.426 20 5 DDBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CC[N@H+](CCO)[C@H](C)C1 ZINC000347387459 410514144 /nfs/dbraw/zinc/51/41/44/410514144.db2.gz ZWBCDWJGGLZYMM-BAAYTWLHSA-N 1 0 319.405 1.997 20 5 DDBDRO C[N@@H+]1CCC[C@H]1CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000299210922 410569308 /nfs/dbraw/zinc/56/93/08/410569308.db2.gz CUKTUDNTPCVFLW-ZDUSSCGKSA-N 1 0 313.379 1.108 20 5 DDBDRO C[C@@H](C[NH3+])NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000347667134 410666777 /nfs/dbraw/zinc/66/67/77/410666777.db2.gz KACGICHPKPYEDZ-YUMQZZPRSA-N 1 0 301.730 1.479 20 5 DDBDRO CS[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cnc2C)C[C@H]1[NH+](C)C ZINC000330500929 410730802 /nfs/dbraw/zinc/73/08/02/410730802.db2.gz RWYCROKTSOGYGG-CHWSQXEVSA-N 1 0 324.406 1.416 20 5 DDBDRO CC1CC[NH+](CCCNC(=O)c2ccc([N+](=O)[O-])n2C)CC1 ZINC000330543447 410763668 /nfs/dbraw/zinc/76/36/68/410763668.db2.gz XFEAINCDZNHEML-UHFFFAOYSA-N 1 0 308.382 1.785 20 5 DDBDRO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])n1C)[NH+]1CCC(C)CC1 ZINC000330583219 410799038 /nfs/dbraw/zinc/79/90/38/410799038.db2.gz VDZDXTYUCMZNPN-GFCCVEGCSA-N 1 0 308.382 1.784 20 5 DDBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]C[C@H]2COCCO2)c1 ZINC000340443701 410850113 /nfs/dbraw/zinc/85/01/13/410850113.db2.gz WTLZGWBFPNWRFA-NSHDSACASA-N 1 0 318.276 1.701 20 5 DDBDRO C[NH+](C)C[C@@H]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000331419827 411081316 /nfs/dbraw/zinc/08/13/16/411081316.db2.gz DUIHWHHABUUXEW-NSHDSACASA-N 1 0 303.366 1.855 20 5 DDBDRO O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc([N+](=O)[O-])o1 ZINC000136974930 196558791 /nfs/dbraw/zinc/55/87/91/196558791.db2.gz BURIMOZOEGZGDC-LLVKDONJSA-N 1 0 323.349 1.419 20 5 DDBDRO CC(C)(C)N1CC[C@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1=O ZINC001120559203 782022724 /nfs/dbraw/zinc/02/27/24/782022724.db2.gz PDYWSSFQRWSUIO-UONOGXRCSA-N 1 0 321.377 1.617 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCCc2ccccc2F)c1 ZINC000571790928 304487702 /nfs/dbraw/zinc/48/77/02/304487702.db2.gz IHBHWGLXNNBTBM-CQSZACIVSA-N 1 0 322.340 1.514 20 5 DDBDRO CC[C@@H](CNc1nccc(C(N)=O)c1[N+](=O)[O-])[NH+]1CCCC1 ZINC000290593413 221769420 /nfs/dbraw/zinc/76/94/20/221769420.db2.gz XVCHCLVGBWBFHB-JTQLQIEISA-N 1 0 307.354 1.375 20 5 DDBDRO O=[N+]([O-])c1cnn([C@@H]2CCC[N@H+](CCCn3ccnc3)C2)c1 ZINC000373581163 418442264 /nfs/dbraw/zinc/44/22/64/418442264.db2.gz DLFGYDZYNYUHGP-CYBMUJFWSA-N 1 0 304.354 1.715 20 5 DDBDRO CC1(C)C[N@H+](CCn2ccc([N+](=O)[O-])n2)C[C@@]2(CCCOC2)O1 ZINC000373795777 418460600 /nfs/dbraw/zinc/46/06/00/418460600.db2.gz GCQQIUNHGYKOJF-OAHLLOKOSA-N 1 0 324.381 1.451 20 5 DDBDRO C[NH+]1CCC2(CCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000373949947 418476178 /nfs/dbraw/zinc/47/61/78/418476178.db2.gz KYSKNBVICDYXBW-UHFFFAOYSA-N 1 0 321.381 1.126 20 5 DDBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000360897599 418543763 /nfs/dbraw/zinc/54/37/63/418543763.db2.gz TZCXVDBORHNYHS-NSHDSACASA-N 1 0 310.402 1.167 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000374639959 418549977 /nfs/dbraw/zinc/54/99/77/418549977.db2.gz BRGWIPCZFIQQRY-ZLKJLUDKSA-N 1 0 304.350 1.498 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)n1 ZINC000191678737 222107565 /nfs/dbraw/zinc/10/75/65/222107565.db2.gz WECAAVLCWGPBQZ-VXGBXAGGSA-N 1 0 321.381 1.368 20 5 DDBDRO Nc1c(C(=O)N[C@H]2C[C@H]2C2CC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000361093620 418582039 /nfs/dbraw/zinc/58/20/39/418582039.db2.gz BJGHFZHXSUIZQY-RYUDHWBXSA-N 1 0 304.350 1.295 20 5 DDBDRO CCOC1CC2(C1)CC[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC000367601680 418614229 /nfs/dbraw/zinc/61/42/29/418614229.db2.gz GVZREIODRASKTQ-NFOMZHRRSA-N 1 0 324.381 1.043 20 5 DDBDRO CC1(C)C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H]1[C@@H]1CCCO1 ZINC000367724745 418627615 /nfs/dbraw/zinc/62/76/15/418627615.db2.gz HFQBKASWMWDLAD-IHRRRGAJSA-N 1 0 324.381 1.042 20 5 DDBDRO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000375628048 418666122 /nfs/dbraw/zinc/66/61/22/418666122.db2.gz APAVTBIDDIQSDH-IYBDPMFKSA-N 1 0 319.405 1.932 20 5 DDBDRO C[C@H]1OCC[C@@H]1[N@H+](CCO)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000361588127 418687078 /nfs/dbraw/zinc/68/70/78/418687078.db2.gz XQZHCFNGGAAHAH-CJNGLKHVSA-N 1 0 324.377 1.835 20 5 DDBDRO O=C(COc1ccccc1[N+](=O)[O-])N[C@@H]1CC12CC[NH2+]CC2 ZINC000368161696 418698005 /nfs/dbraw/zinc/69/80/05/418698005.db2.gz XFZSUWZJJHRRQV-CYBMUJFWSA-N 1 0 305.334 1.232 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000382445582 418730244 /nfs/dbraw/zinc/73/02/44/418730244.db2.gz ALBPEBAGNFJNFR-GHMZBOCLSA-N 1 0 313.379 1.309 20 5 DDBDRO O=[N+]([O-])c1cnc(C(F)(F)F)cc1NC[C@@H]1C[NH2+]CCCO1 ZINC000389788368 418749738 /nfs/dbraw/zinc/74/97/38/418749738.db2.gz GZKLFJOAEIWJRA-QMMMGPOBSA-N 1 0 320.271 1.799 20 5 DDBDRO O=C1NC[C@]2(CCC[N@@H+](CCOc3cccc([N+](=O)[O-])c3)C2)O1 ZINC000364787900 418810635 /nfs/dbraw/zinc/81/06/35/418810635.db2.gz JAKKZRVUJNSOGK-HNNXBMFYSA-N 1 0 321.333 1.548 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCCO[C@H]2CCC[C@H]21 ZINC000372352674 418860057 /nfs/dbraw/zinc/86/00/57/418860057.db2.gz ZYEKAFWAMKQYQB-KGLIPLIRSA-N 1 0 307.350 1.400 20 5 DDBDRO CCOC(C[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1)OCC ZINC000372470460 418873641 /nfs/dbraw/zinc/87/36/41/418873641.db2.gz FKYGXJBETWDOTG-GFCCVEGCSA-N 1 0 312.370 1.827 20 5 DDBDRO COc1ccc(C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)cc1[N+](=O)[O-] ZINC000373055492 418925195 /nfs/dbraw/zinc/92/51/95/418925195.db2.gz KFWZWZPDUQCYEJ-ZYHUDNBSSA-N 1 0 305.334 1.427 20 5 DDBDRO Cc1nn(CCC(=O)N[C@@H](C[NH3+])C(C)(C)C)c(C)c1[N+](=O)[O-] ZINC000423955966 227824636 /nfs/dbraw/zinc/82/46/36/227824636.db2.gz OHNLZLYZYYTXBI-NSHDSACASA-N 1 0 311.386 1.288 20 5 DDBDRO Cc1ccc([C@@H](C)NC(=O)N2CCO[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000417842963 419350447 /nfs/dbraw/zinc/35/04/47/419350447.db2.gz GRBFIHLMFKQOOL-DGCLKSJQSA-N 1 0 322.365 1.333 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC[C@@H](C3CCCC3)C2)c1 ZINC000420966307 419388912 /nfs/dbraw/zinc/38/89/12/419388912.db2.gz VBLOFDOAZGSXIY-HIFRSBDPSA-N 1 0 308.382 1.664 20 5 DDBDRO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCC[C@H]3CCO)n2)c1 ZINC000426200170 419402075 /nfs/dbraw/zinc/40/20/75/419402075.db2.gz VZTAEKORWPZOBX-LBPRGKRZSA-N 1 0 318.333 1.992 20 5 DDBDRO COc1cc(CNCC2([NH+](C)C)CC2)c([N+](=O)[O-])cc1OC ZINC000418110669 419538509 /nfs/dbraw/zinc/53/85/09/419538509.db2.gz CHBHTTGBQLANQP-UHFFFAOYSA-N 1 0 309.366 1.796 20 5 DDBDRO CCCN1C[C@@H](C[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)CC1=O ZINC000421355782 419578966 /nfs/dbraw/zinc/57/89/66/419578966.db2.gz VCRZVAWVWPEMAL-CYBMUJFWSA-N 1 0 321.377 1.952 20 5 DDBDRO C[C@@H]1C[C@H](O)C[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000412040780 419580875 /nfs/dbraw/zinc/58/08/75/419580875.db2.gz KOTBOXWRTBVDEL-KWCYVHTRSA-N 1 0 310.350 1.037 20 5 DDBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000418375460 419753994 /nfs/dbraw/zinc/75/39/94/419753994.db2.gz TZZWUQROFWJPKC-ZDUSSCGKSA-N 1 0 306.366 1.531 20 5 DDBDRO [NH3+]CCCCNC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000418516996 419849977 /nfs/dbraw/zinc/84/99/77/419849977.db2.gz YJCMTSXZWSIHDF-UHFFFAOYSA-N 1 0 321.381 1.165 20 5 DDBDRO Cc1ccc(C)c(C[N@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000429299015 419998722 /nfs/dbraw/zinc/99/87/22/419998722.db2.gz FLPJYTHNUMXETE-INIZCTEOSA-N 1 0 318.377 1.901 20 5 DDBDRO C[NH2+]C[C@@H](C)CN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000423279746 420001266 /nfs/dbraw/zinc/00/12/66/420001266.db2.gz TUEXSVVUQHHRGK-DOMZBBRYSA-N 1 0 317.393 1.863 20 5 DDBDRO O=C(Cn1cc([N+](=O)[O-])cn1)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000429343088 420006365 /nfs/dbraw/zinc/00/63/65/420006365.db2.gz BIODENAYGXHLHS-UHFFFAOYSA-N 1 0 301.306 1.076 20 5 DDBDRO C[NH+](C)C1(CNc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CC1 ZINC000419011941 420043661 /nfs/dbraw/zinc/04/36/61/420043661.db2.gz UMXIGZQJEABIRH-UHFFFAOYSA-N 1 0 303.322 1.750 20 5 DDBDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000429770344 420046439 /nfs/dbraw/zinc/04/64/39/420046439.db2.gz FJKNWLRGAXBMCO-MNOVXSKESA-N 1 0 320.349 1.038 20 5 DDBDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000437754625 229592982 /nfs/dbraw/zinc/59/29/82/229592982.db2.gz DPIIPXIXXBXLIR-RAIGVLPGSA-N 1 0 322.365 1.247 20 5 DDBDRO [NH3+]CC[C@@H](NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1)C(F)F ZINC000415635908 420131535 /nfs/dbraw/zinc/13/15/35/420131535.db2.gz VYWAZTBGDCPXGQ-SECBINFHSA-N 1 0 306.244 1.838 20 5 DDBDRO CCOc1ccc([C@H](C)NC[C@@H]2C[NH2+]CCO2)cc1[N+](=O)[O-] ZINC000423550556 420079409 /nfs/dbraw/zinc/07/94/09/420079409.db2.gz FQCURCUGPJNMRL-AAEUAGOBSA-N 1 0 309.366 1.633 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000415491811 420088296 /nfs/dbraw/zinc/08/82/96/420088296.db2.gz BNPYWPRCGGANRE-HNNXBMFYSA-N 1 0 320.349 1.821 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)C[C@H]1CCN(C(C)=O)C1 ZINC000430209443 420090439 /nfs/dbraw/zinc/09/04/39/420090439.db2.gz XWAXUZWUEATYNV-CYBMUJFWSA-N 1 0 321.377 1.904 20 5 DDBDRO C[C@H]1CN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC[NH2+]1 ZINC000420333429 420216850 /nfs/dbraw/zinc/21/68/50/420216850.db2.gz DRZFFAYHHJETTD-NSHDSACASA-N 1 0 320.349 1.187 20 5 DDBDRO C[C@H]1CC[NH2+][C@H](C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1 ZINC000423830166 420215532 /nfs/dbraw/zinc/21/55/32/420215532.db2.gz TWKWKVXVBANWRW-AAEUAGOBSA-N 1 0 321.381 1.343 20 5 DDBDRO C[NH2+][C@H]1CCN([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000430601684 420153398 /nfs/dbraw/zinc/15/33/98/420153398.db2.gz FBTIHSSOMRVJKE-MNOVXSKESA-N 1 0 322.365 1.224 20 5 DDBDRO C[NH2+]C[C@@H]1CCCN(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000430619036 420159471 /nfs/dbraw/zinc/15/94/71/420159471.db2.gz YQJZWUCXBAJKAB-ZDUSSCGKSA-N 1 0 320.393 1.773 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCCC[C@H]1C[NH3+] ZINC000430633811 420163940 /nfs/dbraw/zinc/16/39/40/420163940.db2.gz QJTWOQUQJIQMNN-ZDUSSCGKSA-N 1 0 306.366 1.655 20 5 DDBDRO [NH3+]C[C@@H]1CN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)CCCO1 ZINC000420270912 420175746 /nfs/dbraw/zinc/17/57/46/420175746.db2.gz ASPUZIUPFRFDRR-GFCCVEGCSA-N 1 0 319.321 1.199 20 5 DDBDRO C[C@@H]1CN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@@H](C)[NH2+]1 ZINC000430951272 420221173 /nfs/dbraw/zinc/22/11/73/420221173.db2.gz LBALZXDGZPKCMS-GHMZBOCLSA-N 1 0 317.349 1.827 20 5 DDBDRO C[C@@H]1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000420347815 420226117 /nfs/dbraw/zinc/22/61/17/420226117.db2.gz ZJDQWYMVYFRGNC-CHWSQXEVSA-N 1 0 320.393 1.983 20 5 DDBDRO O=C(CN(C1CC1)[C@@H]1CC[NH2+]C1)Nc1ccccc1[N+](=O)[O-] ZINC000435240051 420263373 /nfs/dbraw/zinc/26/33/73/420263373.db2.gz MVSBGKYXNSASNK-GFCCVEGCSA-N 1 0 304.350 1.360 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@H](C)[NH2+]C[C@H]1C ZINC000420410552 420267923 /nfs/dbraw/zinc/26/79/23/420267923.db2.gz XXJSQPGXSWHEOB-WDEREUQCSA-N 1 0 322.365 1.224 20 5 DDBDRO CN(CC(=O)N(C)[C@H](C[NH3+])C1CC1)c1ccccc1[N+](=O)[O-] ZINC000423946358 420278539 /nfs/dbraw/zinc/27/85/39/420278539.db2.gz JMNRAXFVBHUUQU-CQSZACIVSA-N 1 0 306.366 1.227 20 5 DDBDRO Cn1c(C(=O)N2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000423956134 420282416 /nfs/dbraw/zinc/28/24/16/420282416.db2.gz AHFVPCYWNMMQJY-VXGBXAGGSA-N 1 0 306.366 1.538 20 5 DDBDRO CC(C)(C)[C@H](C[NH3+])NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000423959077 420284536 /nfs/dbraw/zinc/28/45/36/420284536.db2.gz RCQPTLPBJCXXGR-NSHDSACASA-N 1 0 305.338 1.574 20 5 DDBDRO CCC[N@H+](C)C[C@H]1CCN(c2c(C(N)=O)cccc2[N+](=O)[O-])C1 ZINC000420593918 420325719 /nfs/dbraw/zinc/32/57/19/420325719.db2.gz CLZYENCOXISVQT-GFCCVEGCSA-N 1 0 320.393 1.862 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000435891964 420291737 /nfs/dbraw/zinc/29/17/37/420291737.db2.gz CTTZUFHPMNAEHJ-MLGOLLRUSA-N 1 0 319.361 1.609 20 5 DDBDRO [NH3+]C[C@@H](NC(=O)NCCc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000417760983 420471017 /nfs/dbraw/zinc/47/10/17/420471017.db2.gz GUKUQJSBKJNUKF-CQSZACIVSA-N 1 0 320.393 1.954 20 5 DDBDRO Cc1ccc(NCCCNC(=O)N[C@H](C)CC[NH3+])c([N+](=O)[O-])c1 ZINC000417723153 420461750 /nfs/dbraw/zinc/46/17/50/420461750.db2.gz WDZQIDZMCZDLSZ-GFCCVEGCSA-N 1 0 323.397 1.742 20 5 DDBDRO COc1cccc(C[N@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000438786477 420465782 /nfs/dbraw/zinc/46/57/82/420465782.db2.gz YMHPKXXFIWLTHO-CQSZACIVSA-N 1 0 320.349 1.293 20 5 DDBDRO Nc1ncc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000456680152 420525945 /nfs/dbraw/zinc/52/59/45/420525945.db2.gz DXADMXVWPQRBKG-UHFFFAOYSA-N 1 0 319.365 1.319 20 5 DDBDRO CC1CC[NH+](CCNc2cccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000439099690 420479211 /nfs/dbraw/zinc/47/92/11/420479211.db2.gz OKBZHVPJPOQXLV-UHFFFAOYSA-N 1 0 306.366 1.838 20 5 DDBDRO CC[NH+]1CCN(CC(C)(C)Nc2ccc([N+](=O)[O-])cn2)CC1 ZINC000450921190 420561628 /nfs/dbraw/zinc/56/16/28/420561628.db2.gz FITABUYSZGRFSX-UHFFFAOYSA-N 1 0 307.398 1.818 20 5 DDBDRO CC(C)(C[NH+]1CCCC1)NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000457059016 420598972 /nfs/dbraw/zinc/59/89/72/420598972.db2.gz WFMAKTVWIMBMJQ-UHFFFAOYSA-N 1 0 308.338 1.300 20 5 DDBDRO C[NH+](C)CCN(C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000442542485 420686101 /nfs/dbraw/zinc/68/61/01/420686101.db2.gz PNKWMCNNPJANRJ-UHFFFAOYSA-N 1 0 320.349 1.086 20 5 DDBDRO C[C@H](C[N@H+](C)CCn1cc([N+](=O)[O-])cn1)C(=O)OC(C)(C)C ZINC000459803598 420878049 /nfs/dbraw/zinc/87/80/49/420878049.db2.gz JYQDBDVVDOSTBT-LLVKDONJSA-N 1 0 312.370 1.701 20 5 DDBDRO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@H](O)C[C@H]2[C@H]2CCCOC2)cc1 ZINC000449430238 421011245 /nfs/dbraw/zinc/01/12/45/421011245.db2.gz BVOPQTGUJLKBIW-IMJJTQAJSA-N 1 0 306.362 1.957 20 5 DDBDRO C[C@@H](CNC(=O)N(C)CCc1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000455434910 421014151 /nfs/dbraw/zinc/01/41/51/421014151.db2.gz RQKABYYLKJPRMU-LBPRGKRZSA-N 1 0 308.382 1.729 20 5 DDBDRO CC[C@H]([NH3+])CNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000449606398 421037515 /nfs/dbraw/zinc/03/75/15/421037515.db2.gz QLVIEQIBCUIPBZ-JTQLQIEISA-N 1 0 303.322 1.248 20 5 DDBDRO CNc1nc(C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)ccc1[N+](=O)[O-] ZINC000456071884 421096264 /nfs/dbraw/zinc/09/62/64/421096264.db2.gz TXGGSLWQMBYWCT-HNNXBMFYSA-N 1 0 319.365 1.199 20 5 DDBDRO CC(C)[C@@H]1CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000488012768 421063244 /nfs/dbraw/zinc/06/32/44/421063244.db2.gz UYKPOJNDOMZEAV-HNNXBMFYSA-N 1 0 320.393 1.466 20 5 DDBDRO [NH3+]C[C@H]1CC[C@H](NC(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000449719915 421067818 /nfs/dbraw/zinc/06/78/18/421067818.db2.gz RJSIFBYUTIWQCF-RYUDHWBXSA-N 1 0 306.366 1.640 20 5 DDBDRO CN1CC[N@H+](C)C[C@@H]1CNc1nccc2c1cccc2[N+](=O)[O-] ZINC000450334042 421184712 /nfs/dbraw/zinc/18/47/12/421184712.db2.gz HNSWZBZZPPIRDK-LBPRGKRZSA-N 1 0 315.377 1.801 20 5 DDBDRO C[NH+](C)CCO[C@H]1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000450392271 421191946 /nfs/dbraw/zinc/19/19/46/421191946.db2.gz SKZZLVKLJBQKFJ-LBPRGKRZSA-N 1 0 319.365 1.628 20 5 DDBDRO Nc1ncccc1C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000450569989 421210901 /nfs/dbraw/zinc/21/09/01/421210901.db2.gz OSNOIKFLBHOKLI-GFCCVEGCSA-N 1 0 314.349 1.653 20 5 DDBDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1c1ccc([N+](=O)[O-])nc1 ZINC000450483682 421202500 /nfs/dbraw/zinc/20/25/00/421202500.db2.gz JWZOTTMKVKLWLF-LBPRGKRZSA-N 1 0 306.366 1.679 20 5 DDBDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000525670435 421293873 /nfs/dbraw/zinc/29/38/73/421293873.db2.gz SRLYMIRLCGSBTC-AWEZNQCLSA-N 1 0 305.378 1.984 20 5 DDBDRO C[C@H](CNC(=O)c1ccnc(N)c1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC000548058509 421394545 /nfs/dbraw/zinc/39/45/45/421394545.db2.gz RIADYHQBPWQEQU-WDEREUQCSA-N 1 0 321.381 1.422 20 5 DDBDRO CC[NH+]1CCC(CNC(=O)CCn2cc([N+](=O)[O-])nc2C)CC1 ZINC000563866198 421549945 /nfs/dbraw/zinc/54/99/45/421549945.db2.gz OTFLMRGIJHXZIO-UHFFFAOYSA-N 1 0 323.397 1.338 20 5 DDBDRO Cc1noc(C)c1C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000552494823 421589295 /nfs/dbraw/zinc/58/92/95/421589295.db2.gz GPJBDZYLCUBVSE-CYBMUJFWSA-N 1 0 321.333 1.729 20 5 DDBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])cn1C)[N@@H+]1CCC[C@H](C)C1 ZINC000518772204 421667323 /nfs/dbraw/zinc/66/73/23/421667323.db2.gz ZYNLXLMVKZXSSG-NWDGAFQWSA-N 1 0 308.382 1.784 20 5 DDBDRO C[NH+](C)Cc1ccccc1NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000556811396 421740993 /nfs/dbraw/zinc/74/09/93/421740993.db2.gz QSKCMAIOCYOJPT-UHFFFAOYSA-N 1 0 317.349 1.882 20 5 DDBDRO C[NH2+]C[C@@](C)(O)CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000581731067 422037959 /nfs/dbraw/zinc/03/79/59/422037959.db2.gz JLBDRQLXECWRIV-MRXNPFEDSA-N 1 0 323.393 1.408 20 5 DDBDRO CNc1ccc(C(=O)N2CCC[C@H](C[NH2+]C)C2)cc1[N+](=O)[O-] ZINC000574934764 422219469 /nfs/dbraw/zinc/21/94/69/422219469.db2.gz FVSMSGLDNMGYPU-LLVKDONJSA-N 1 0 306.366 1.708 20 5 DDBDRO O=[N+]([O-])c1cnc2ccc(N[C@@H]3CCC[N@@H+]4CCCC[C@H]34)nn21 ZINC000594602483 422352643 /nfs/dbraw/zinc/35/26/43/422352643.db2.gz QSPYHSOGWXNCFB-VXGBXAGGSA-N 1 0 316.365 2.066 20 5 DDBDRO CC(C)[N@@H+]1CC[C@@H](CNc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000314967611 271013453 /nfs/dbraw/zinc/01/34/53/271013453.db2.gz VTBKJEQTIOQRJM-NSHDSACASA-N 1 0 306.366 1.836 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000341577007 271126027 /nfs/dbraw/zinc/12/60/27/271126027.db2.gz MGTIZMYRDGTDPE-MRXNPFEDSA-N 1 0 321.377 1.649 20 5 DDBDRO CCCN(CC[NH+]1CCCC1)C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000342270711 271362181 /nfs/dbraw/zinc/36/21/81/271362181.db2.gz WATFJOTWQRWERB-UHFFFAOYSA-N 1 0 321.381 1.520 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NCC[C@H]1CCC[NH2+]1 ZINC000415509428 274099616 /nfs/dbraw/zinc/09/96/16/274099616.db2.gz WHBZTUAGNJWZGX-SNVBAGLBSA-N 1 0 308.338 1.867 20 5 DDBDRO C[C@@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2C(N)=O)C[N@@H+]1C1CC1 ZINC000133535796 274395083 /nfs/dbraw/zinc/39/50/83/274395083.db2.gz DVHHENDGNCALHP-RKDXNWHRSA-N 1 0 305.338 1.126 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000178944648 274723024 /nfs/dbraw/zinc/72/30/24/274723024.db2.gz ZREVREOSBZISPY-LLVKDONJSA-N 1 0 313.379 1.194 20 5 DDBDRO C[N@@H+]1CC[C@@H](CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000264724731 277134594 /nfs/dbraw/zinc/13/45/94/277134594.db2.gz YIZGJJHDQTZMRV-JTQLQIEISA-N 1 0 321.333 1.048 20 5 DDBDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)COc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000292307932 277159498 /nfs/dbraw/zinc/15/94/98/277159498.db2.gz NDSGJJRGPBQLAQ-MRXNPFEDSA-N 1 0 319.361 1.528 20 5 DDBDRO CNC(=O)c1ccc(N2CCC[C@H]([NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000277139846 277258607 /nfs/dbraw/zinc/25/86/07/277258607.db2.gz JXUKANMHUBDQBX-ZDUSSCGKSA-N 1 0 320.393 1.875 20 5 DDBDRO CC[NH+](CC)CCN(CC(C)C)c1ncc([N+](=O)[O-])c(N)n1 ZINC000120090227 281112369 /nfs/dbraw/zinc/11/23/69/281112369.db2.gz UWQNSHIJTMLEBQ-UHFFFAOYSA-N 1 0 310.402 1.771 20 5 DDBDRO C[NH+](C)C[C@H]1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000154799995 281804168 /nfs/dbraw/zinc/80/41/68/281804168.db2.gz CLEKJOPCQBKHEK-CQSZACIVSA-N 1 0 305.378 1.938 20 5 DDBDRO CO[C@@]1(C)C[C@@H]([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)C1(C)C ZINC000451485161 294152949 /nfs/dbraw/zinc/15/29/49/294152949.db2.gz IDTKWUHGDIQRKX-DOMZBBRYSA-N 1 0 309.366 1.550 20 5 DDBDRO [NH3+]CC[C@@H]1CCCCN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000261927496 295237165 /nfs/dbraw/zinc/23/71/65/295237165.db2.gz JAFDPGXLFRBUDE-LBPRGKRZSA-N 1 0 306.366 1.737 20 5 DDBDRO Cn1nc([N+](=O)[O-])cc1C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000356467894 298800045 /nfs/dbraw/zinc/80/00/45/298800045.db2.gz PVVSMLRWQQXCOP-UHFFFAOYSA-N 1 0 309.370 1.132 20 5 DDBDRO C[C@@H]([NH2+]Cc1ccc(C(N)=O)nc1)c1cccc([N+](=O)[O-])c1 ZINC000361923463 299963177 /nfs/dbraw/zinc/96/31/77/299963177.db2.gz DMIQVCQRRMXRHQ-SNVBAGLBSA-N 1 0 300.318 1.940 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000364037512 300337320 /nfs/dbraw/zinc/33/73/20/300337320.db2.gz AUDMSVYTBQDMMM-OLZOCXBDSA-N 1 0 321.381 1.233 20 5 DDBDRO COCC[C@H]1CCCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000364151087 300350717 /nfs/dbraw/zinc/35/07/17/300350717.db2.gz QEMYKPZMODIEJV-CQSZACIVSA-N 1 0 323.393 1.895 20 5 DDBDRO COc1cc(C(=O)N2CC[C@]3(CCC[C@H]3[NH3+])C2)ccc1[N+](=O)[O-] ZINC000364196945 300356122 /nfs/dbraw/zinc/35/61/22/300356122.db2.gz CAFNZPCXDUMDLT-GDBMZVCRSA-N 1 0 319.361 1.947 20 5 DDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000364452438 300398881 /nfs/dbraw/zinc/39/88/81/300398881.db2.gz FFKIFNHVHFXAQD-LLVKDONJSA-N 1 0 318.377 1.924 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[C@@H]2C[NH2+]CCC[C@H]21 ZINC000366840157 300757156 /nfs/dbraw/zinc/75/71/56/300757156.db2.gz IVWWRKPXVZYYAL-CHWSQXEVSA-N 1 0 321.381 1.090 20 5 DDBDRO O=[N+]([O-])c1cccc(CN2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c1 ZINC000369234877 301148033 /nfs/dbraw/zinc/14/80/33/301148033.db2.gz GCSQBHFHGIFESZ-CVEARBPZSA-N 1 0 305.378 1.626 20 5 DDBDRO Nc1c(C(=O)N(C2CC2)C2CC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000370785819 301392213 /nfs/dbraw/zinc/39/22/13/301392213.db2.gz GUSUDJKOLGBNLA-UHFFFAOYSA-N 1 0 304.350 1.534 20 5 DDBDRO [NH3+][C@@H]1CCC[C@]12CCN(C(=O)Cc1cccc([N+](=O)[O-])c1)C2 ZINC000372783147 301612877 /nfs/dbraw/zinc/61/28/77/301612877.db2.gz LVKBLLPFZBASBZ-GDBMZVCRSA-N 1 0 303.362 1.867 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000372917265 301632091 /nfs/dbraw/zinc/63/20/91/301632091.db2.gz YVDTZRRSQDHSSG-GWCFXTLKSA-N 1 0 305.334 1.427 20 5 DDBDRO Cc1ccc(S(=O)(=O)N2CC[NH2+][C@@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000440801444 301674369 /nfs/dbraw/zinc/67/43/69/301674369.db2.gz ALIUUAAPAJQYJC-WDEREUQCSA-N 1 0 313.379 1.274 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CN1CCCC[C@H]1C(=[NH2+])NO ZINC000374176489 301774199 /nfs/dbraw/zinc/77/41/99/301774199.db2.gz RBKRJRLRIWAJBG-LBPRGKRZSA-N 1 0 308.338 1.914 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C1CC1)[C@H]1CC[NH2+]C1 ZINC000435246863 302041256 /nfs/dbraw/zinc/04/12/56/302041256.db2.gz TWXSEXMNPUCSSD-ZDUSSCGKSA-N 1 0 318.377 1.668 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cccc([N+](=O)[O-])c3F)[C@@H]2C1 ZINC000376729425 302093424 /nfs/dbraw/zinc/09/34/24/302093424.db2.gz PXEDNAJFFKGDME-ZWNOBZJWSA-N 1 0 307.325 1.900 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000377561242 302193279 /nfs/dbraw/zinc/19/32/79/302193279.db2.gz GTJSZENBSRAAAJ-HNNXBMFYSA-N 1 0 321.381 1.092 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](CC(N)=O)C1 ZINC000377609306 302198168 /nfs/dbraw/zinc/19/81/68/302198168.db2.gz YAMCTOPAPXSLHG-NSHDSACASA-N 1 0 307.350 1.691 20 5 DDBDRO CC(C)[C@]1(CO)CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000377651845 302203887 /nfs/dbraw/zinc/20/38/87/302203887.db2.gz KGAWZKZZVPQTKD-JKSUJKDBSA-N 1 0 308.378 1.969 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000377740568 302223834 /nfs/dbraw/zinc/22/38/34/302223834.db2.gz CQTVNLNXDJIHMS-GHMZBOCLSA-N 1 0 305.334 1.285 20 5 DDBDRO NC(=O)c1ccc(C[NH+]2CCC(CCO)CC2)c([N+](=O)[O-])c1 ZINC000400927972 302371006 /nfs/dbraw/zinc/37/10/06/302371006.db2.gz MWIBWJPVYKYUTK-UHFFFAOYSA-N 1 0 307.350 1.288 20 5 DDBDRO CC[NH+](CC)CC1CCN(C(=O)c2cc([N+](=O)[O-])nn2C)CC1 ZINC000356145093 306838596 /nfs/dbraw/zinc/83/85/96/306838596.db2.gz OBKKOSCVQWCVIW-UHFFFAOYSA-N 1 0 323.397 1.522 20 5 DDBDRO Cn1ccnc1[C@H](NC[C@@H]1CCC[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC000423234572 303004275 /nfs/dbraw/zinc/00/42/75/303004275.db2.gz LZFSVUJJGNJKJC-DZGCQCFKSA-N 1 0 315.377 1.759 20 5 DDBDRO COC[C@@]1(CNC(=O)c2cc([N+](=O)[O-])c(C)s2)CCC[NH2+]1 ZINC000357295788 306874583 /nfs/dbraw/zinc/87/45/83/306874583.db2.gz XDHUPLTZHIURLT-ZDUSSCGKSA-N 1 0 313.379 1.463 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H]1CN(C)CCN1C ZINC000531970539 303268187 /nfs/dbraw/zinc/26/81/87/303268187.db2.gz CRTUHCUNKJGXHM-DZGCQCFKSA-N 1 0 306.410 1.800 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC(Nc3ccccn3)CC2)n1 ZINC000534128704 303326510 /nfs/dbraw/zinc/32/65/10/303326510.db2.gz OPFDWOJLAQONKS-UHFFFAOYSA-N 1 0 316.365 1.763 20 5 DDBDRO [NH3+]C[C@@H]1CCN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000178908681 303409549 /nfs/dbraw/zinc/40/95/49/303409549.db2.gz GMWHRDRSKHEUPY-QMMMGPOBSA-N 1 0 319.770 1.218 20 5 DDBDRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000558732703 303781720 /nfs/dbraw/zinc/78/17/20/303781720.db2.gz SAWVJSBYYXJRRP-GFCCVEGCSA-N 1 0 317.349 1.221 20 5 DDBDRO O=C(N[C@@H]1CC[N@H+](CC2CCCC2)C1)c1ccc([N+](=O)[O-])[nH]1 ZINC000362080130 307013163 /nfs/dbraw/zinc/01/31/63/307013163.db2.gz JVAFAVVYXFCJES-GFCCVEGCSA-N 1 0 306.366 1.917 20 5 DDBDRO C[NH+](C)CCCOC1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000362130344 307014798 /nfs/dbraw/zinc/01/47/98/307014798.db2.gz QVXOPQFHHPXLRR-UHFFFAOYSA-N 1 0 308.382 1.927 20 5 DDBDRO Cc1cc([C@H]2CCC[N@H+](CCn3ccc([N+](=O)[O-])n3)C2)[nH]n1 ZINC000363366753 307026659 /nfs/dbraw/zinc/02/66/59/307026659.db2.gz JRRSYQMPHPLBTH-LBPRGKRZSA-N 1 0 304.354 1.702 20 5 DDBDRO O=[N+]([O-])c1ccc(F)cc1CN1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000363526829 307030313 /nfs/dbraw/zinc/03/03/13/307030313.db2.gz HAKGWFHOFFCJFV-CVEARBPZSA-N 1 0 323.368 1.765 20 5 DDBDRO O=[N+]([O-])c1ccc(CN2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1F ZINC000367275839 307091239 /nfs/dbraw/zinc/09/12/39/307091239.db2.gz YSPQGEICEFKHTD-HZPDHXFCSA-N 1 0 323.368 1.765 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CC[C@@](O)(C3CC3)C2)c1 ZINC000373907805 307198045 /nfs/dbraw/zinc/19/80/45/307198045.db2.gz GQMQEIDHNYGMMN-ZBFHGGJFSA-N 1 0 322.361 1.181 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@](O)(c3ccc(F)cc3)C2)n1 ZINC000375965525 307236405 /nfs/dbraw/zinc/23/64/05/307236405.db2.gz YBOCJQKLDCDFIX-OAHLLOKOSA-N 1 0 320.324 1.524 20 5 DDBDRO C[C@H]1CC[N@H+](CC(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)C1 ZINC000565959803 308039441 /nfs/dbraw/zinc/03/94/41/308039441.db2.gz TUVSDFDDUUNSQC-NSHDSACASA-N 1 0 304.350 1.216 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC(=O)NCC(F)F ZINC000568156340 308108646 /nfs/dbraw/zinc/10/86/46/308108646.db2.gz AGWSZHZAECJCKY-SECBINFHSA-N 1 0 301.293 1.935 20 5 DDBDRO C[C@H](Cn1ccnc1)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000568621008 308124548 /nfs/dbraw/zinc/12/45/48/308124548.db2.gz KIQRXOYMCMWAJH-OLZOCXBDSA-N 1 0 320.349 1.209 20 5 DDBDRO CC(=O)c1ccc(OCc2nc(C(C)(C)[NH3+])no2)c([N+](=O)[O-])c1 ZINC000572360759 308219077 /nfs/dbraw/zinc/21/90/77/308219077.db2.gz IRIRFSYWSYCIIW-UHFFFAOYSA-N 1 0 320.305 1.953 20 5 DDBDRO C[C@@H]1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000572618562 308221191 /nfs/dbraw/zinc/22/11/91/308221191.db2.gz RFNIZIJBYLQYJO-YPMHNXCESA-N 1 0 306.366 1.721 20 5 DDBDRO CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000576610776 308327313 /nfs/dbraw/zinc/32/73/13/308327313.db2.gz PPCGYPSVCCBADJ-NSHDSACASA-N 1 0 309.370 1.275 20 5 DDBDRO O=[N+]([O-])c1ccc2[nH]c(CN3CC[N@@H+]4CCC[C@H]4C3)nc2c1 ZINC000576883446 308346650 /nfs/dbraw/zinc/34/66/50/308346650.db2.gz WUYLIBULGGRKFA-LBPRGKRZSA-N 1 0 301.350 1.751 20 5 DDBDRO C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CC[NH2+]1 ZINC000579590076 308543307 /nfs/dbraw/zinc/54/33/07/308543307.db2.gz GVHQTXZDTGWVKK-ZJUUUORDSA-N 1 0 321.333 1.236 20 5 DDBDRO COc1ccc(C(=O)N2CCC(CC[NH3+])CC2)cc1[N+](=O)[O-] ZINC000387226391 325764425 /nfs/dbraw/zinc/76/44/25/325764425.db2.gz NVVHXGUVKWXDJA-UHFFFAOYSA-N 1 0 307.350 1.804 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@@H]([NH3+])C[C@H]1C ZINC000584180620 331857247 /nfs/dbraw/zinc/85/72/47/331857247.db2.gz WKLPAHMINBSXIB-VXGBXAGGSA-N 1 0 306.366 1.653 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@H]([NH+]3CCCC3)C2)n1 ZINC000391412678 336957757 /nfs/dbraw/zinc/95/77/57/336957757.db2.gz WBCIKZFXCPQLCN-NSHDSACASA-N 1 0 320.349 1.451 20 5 DDBDRO C[C@@H]1CC[N@H+](CC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000582676590 337121056 /nfs/dbraw/zinc/12/10/56/337121056.db2.gz ZSRNMHXSLDRRIA-SNVBAGLBSA-N 1 0 317.349 1.429 20 5 DDBDRO CC(C)CSCC[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000397151421 337256570 /nfs/dbraw/zinc/25/65/70/337256570.db2.gz MOAFSTMJBNVLPR-LBPRGKRZSA-N 1 0 302.400 1.131 20 5 DDBDRO C[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000305762765 534031596 /nfs/dbraw/zinc/03/15/96/534031596.db2.gz NDMHONBHJREZFC-BXUZGUMPSA-N 1 0 307.350 1.626 20 5 DDBDRO C[C@H](O)[C@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000305816307 534108955 /nfs/dbraw/zinc/10/89/55/534108955.db2.gz ADQQDBQSJZQXCX-RYUDHWBXSA-N 1 0 307.350 1.626 20 5 DDBDRO COC(=O)c1cnc(NC[C@H]2[NH2+]CCCC2(C)C)c([N+](=O)[O-])c1 ZINC000420237031 534307061 /nfs/dbraw/zinc/30/70/61/534307061.db2.gz FPZKBKACEXQSIO-GFCCVEGCSA-N 1 0 322.365 1.967 20 5 DDBDRO [NH3+]C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c2cccnc12)C1CC1 ZINC000422854983 534675543 /nfs/dbraw/zinc/67/55/43/534675543.db2.gz BQHNZKORBBXXRY-GFCCVEGCSA-N 1 0 300.318 1.610 20 5 DDBDRO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000157644651 527322170 /nfs/dbraw/zinc/32/21/70/527322170.db2.gz QUBSJEJNDPHPOS-VIFPVBQESA-N 1 0 317.342 1.012 20 5 DDBDRO CCO[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000452016575 527754297 /nfs/dbraw/zinc/75/42/97/527754297.db2.gz NPCJHLJGCGXCBB-UMVBOHGHSA-N 1 0 324.377 1.882 20 5 DDBDRO CC[NH+]1C[C@H](C)N(CC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000330825865 527969480 /nfs/dbraw/zinc/96/94/80/527969480.db2.gz IITFEEWEBYUZRJ-STQMWFEESA-N 1 0 320.393 1.948 20 5 DDBDRO CCOC(=O)[C@H]1NCC[C@@H]1[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000422795718 528089221 /nfs/dbraw/zinc/08/92/21/528089221.db2.gz WJFMQIBSNFUSBB-JSGCOSHPSA-N 1 0 307.350 1.021 20 5 DDBDRO CCOc1cc(N2C[C@H](C)[N@H+](CCO)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000419007326 528314634 /nfs/dbraw/zinc/31/46/34/528314634.db2.gz RKITYCALSFULKG-STQMWFEESA-N 1 0 323.393 1.885 20 5 DDBDRO CC(C)[N@H+](C)CCNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000302625406 528823731 /nfs/dbraw/zinc/82/37/31/528823731.db2.gz HXLLMTKJGBDZEB-UHFFFAOYSA-N 1 0 315.395 1.750 20 5 DDBDRO CC[N@@H+]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000736569966 598628117 /nfs/dbraw/zinc/62/81/17/598628117.db2.gz LTRSPIFMSNMUKB-UHFFFAOYSA-N 1 0 317.353 1.307 20 5 DDBDRO CN(C[C@@H]1CC[N@H+](C)C1)c1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000736846696 598797532 /nfs/dbraw/zinc/79/75/32/598797532.db2.gz ALQRNZIWPALNDW-SNVBAGLBSA-N 1 0 317.353 1.163 20 5 DDBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000824992261 608554968 /nfs/dbraw/zinc/55/49/68/608554968.db2.gz LDGWTFLUANGXPZ-VHSXEESVSA-N 1 0 317.353 1.304 20 5 DDBDRO Cc1nn(CN2CC[C@@H](Oc3ccncc3)C2)c(C)c1[N+](=O)[O-] ZINC000121044941 696705499 /nfs/dbraw/zinc/70/54/99/696705499.db2.gz GCRBCRVNDOBVPF-CQSZACIVSA-N 1 0 317.349 1.914 20 5 DDBDRO [NH3+]C[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000050246587 696229771 /nfs/dbraw/zinc/22/97/71/696229771.db2.gz OPXOAGQFSPVRDQ-QMMMGPOBSA-N 1 0 319.770 1.218 20 5 DDBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CN1CC[NH+](C2CC2)CC1 ZINC000129079552 696784754 /nfs/dbraw/zinc/78/47/54/696784754.db2.gz VMKSRSOXVODVAJ-UHFFFAOYSA-N 1 0 318.333 1.240 20 5 DDBDRO Cc1nn(CN2CC[C@@H](C[NH+]3CCCC3)C2)c(C)c1[N+](=O)[O-] ZINC000131378398 696806162 /nfs/dbraw/zinc/80/61/62/696806162.db2.gz JJQUCLCBCIPTBS-AWEZNQCLSA-N 1 0 307.398 1.783 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@@H](c2ccccn2)C1 ZINC000799197736 700127944 /nfs/dbraw/zinc/12/79/44/700127944.db2.gz HWWXMFINDHZMAN-CYBMUJFWSA-N 1 0 314.345 1.641 20 5 DDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H](C[NH3+])C1 ZINC000178908573 697430761 /nfs/dbraw/zinc/43/07/61/697430761.db2.gz HULSKRCTQQVGBE-SNVBAGLBSA-N 1 0 313.379 1.127 20 5 DDBDRO Cc1nc2n(n1)C[C@@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000776273822 698089870 /nfs/dbraw/zinc/08/98/70/698089870.db2.gz ADKRUVAYIABWBR-JSGCOSHPSA-N 1 0 317.349 1.133 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)CN2CC[NH+](CC3CC3)CC2)cc1 ZINC000776277381 698091051 /nfs/dbraw/zinc/09/10/51/698091051.db2.gz NUVQVLUCSWBIET-INIZCTEOSA-N 1 0 305.378 1.656 20 5 DDBDRO CC[C@](C)(CC(=O)OC)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776591405 698123646 /nfs/dbraw/zinc/12/36/46/698123646.db2.gz MFOGNSMDZVKCGT-DZGCQCFKSA-N 1 0 310.350 1.950 20 5 DDBDRO CC(=O)N1CC[C@H](C[N@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776594042 698124704 /nfs/dbraw/zinc/12/47/04/698124704.db2.gz RZAKMXGHKGMOAD-CJNGLKHVSA-N 1 0 321.377 1.428 20 5 DDBDRO C[C@@H]1CCC[N@@H+]1CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000780868435 698566342 /nfs/dbraw/zinc/56/63/42/698566342.db2.gz XFLZNWXWKOGPJT-LLVKDONJSA-N 1 0 313.379 1.357 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H](CO)C2CCOCC2)c1 ZINC000782528475 698734149 /nfs/dbraw/zinc/73/41/49/698734149.db2.gz OAVFIEKYTCJJKC-HUUCEWRRSA-N 1 0 310.350 1.005 20 5 DDBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2(O)CCOCC2)cc1Cl ZINC000783621609 698860663 /nfs/dbraw/zinc/86/06/63/698860663.db2.gz NDLBVMNBCCYNPO-UHFFFAOYSA-N 1 0 300.742 1.879 20 5 DDBDRO CN(C(=O)CN1CC[C@]2(CCC[NH2+]2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000420407291 699139532 /nfs/dbraw/zinc/13/95/32/699139532.db2.gz RYKMIVUMNBUORR-MRXNPFEDSA-N 1 0 318.377 1.386 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@]2(CCC[NH2+]2)C1 ZINC000420408003 699139753 /nfs/dbraw/zinc/13/97/53/699139753.db2.gz TZBFYZAGZCYLIA-MRXNPFEDSA-N 1 0 318.377 1.670 20 5 DDBDRO CN(C[C@H]1CCC[N@H+](C)C1)c1ccc([N+](=O)[O-])c2nonc21 ZINC000734484598 699652756 /nfs/dbraw/zinc/65/27/56/699652756.db2.gz ARAGIMNWYGUZJJ-JTQLQIEISA-N 1 0 305.338 1.909 20 5 DDBDRO CC(=O)c1ccc(N2CCN(C(C)(C)CO)CC2)c([N+](=O)[O-])c1 ZINC000735832022 699704818 /nfs/dbraw/zinc/70/48/18/699704818.db2.gz CLHSAZZSZJHTMH-UHFFFAOYSA-N 1 0 321.377 1.690 20 5 DDBDRO C[NH+](C)[C@H]1CCCN(Cn2c(=O)oc3cccc([N+](=O)[O-])c32)C1 ZINC000794634397 699820330 /nfs/dbraw/zinc/82/03/30/699820330.db2.gz XBVHKHCTCAIWNJ-NSHDSACASA-N 1 0 320.349 1.486 20 5 DDBDRO Cc1nn(C[N@@H+]2CC[C@@](C)(C(N)=O)C2)c2cc([N+](=O)[O-])ccc12 ZINC000794710633 699826575 /nfs/dbraw/zinc/82/65/75/699826575.db2.gz HPMPSGBWVFMPDA-OAHLLOKOSA-N 1 0 317.349 1.408 20 5 DDBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=S)NCC[NH+](C)C ZINC000795096101 699845660 /nfs/dbraw/zinc/84/56/60/699845660.db2.gz KVHZGIPWVFPCPK-UHFFFAOYSA-N 1 0 310.423 1.505 20 5 DDBDRO C[NH+]1CCN(CCCNc2nc3ccccn3c2[N+](=O)[O-])CC1 ZINC000743287584 699905763 /nfs/dbraw/zinc/90/57/63/699905763.db2.gz HLAFGWIFSXXPBN-UHFFFAOYSA-N 1 0 318.381 1.292 20 5 DDBDRO C[C@@H]([NH2+]C(C)(C)CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1ccccc1 ZINC000839648743 701765855 /nfs/dbraw/zinc/76/58/55/701765855.db2.gz RASSYBGZPSUVGH-MRVWCRGKSA-N 1 0 305.378 1.897 20 5 DDBDRO O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839684628 701782573 /nfs/dbraw/zinc/78/25/73/701782573.db2.gz YAFABQJYWLYJIZ-RBSFLKMASA-N 1 0 303.362 1.432 20 5 DDBDRO C[C@]([NH3+])(C(=O)NCCC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000867927969 701835335 /nfs/dbraw/zinc/83/53/35/701835335.db2.gz SQYYIURCHODPLH-LLVKDONJSA-N 1 0 305.256 1.837 20 5 DDBDRO Cc1ccc(CNC(=O)[C@H]2C[C@]23CCC[NH2+]C3)cc1[N+](=O)[O-] ZINC000867996227 701879937 /nfs/dbraw/zinc/87/99/37/701879937.db2.gz UVGWOYZZFYIFNF-CJNGLKHVSA-N 1 0 303.362 1.909 20 5 DDBDRO CC(C)COC[C@@H](O)C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815564326 701897732 /nfs/dbraw/zinc/89/77/32/701897732.db2.gz FWTFINRNWLQRFJ-YPMHNXCESA-N 1 0 311.382 1.861 20 5 DDBDRO C[C@H]([NH2+]CCC1CS(=O)(=O)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815619626 701904735 /nfs/dbraw/zinc/90/47/35/701904735.db2.gz SRYZNMPLHXNAIJ-VIFPVBQESA-N 1 0 313.379 1.262 20 5 DDBDRO C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000831116053 706637514 /nfs/dbraw/zinc/63/75/14/706637514.db2.gz UUFOMTAWTLUAOH-HIFRSBDPSA-N 1 0 321.377 1.571 20 5 DDBDRO O=C(NC[C@@H]1C[NH2+]CCO1)Nc1cccc([N+](=O)[O-])c1Cl ZINC000841233402 702396922 /nfs/dbraw/zinc/39/69/22/702396922.db2.gz SPYNZVVNGBTTPR-QMMMGPOBSA-N 1 0 314.729 1.358 20 5 DDBDRO CN(CC[NH3+])C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000818010898 702551926 /nfs/dbraw/zinc/55/19/26/702551926.db2.gz ZUDPLBZZFCSVON-UHFFFAOYSA-N 1 0 306.366 1.616 20 5 DDBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCN1CC[C@@H](O)C1 ZINC000866396728 706689410 /nfs/dbraw/zinc/68/94/10/706689410.db2.gz ASAPKUDWEULJHX-BXUZGUMPSA-N 1 0 311.357 1.321 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCc2ccc(CO)cc2)c1 ZINC000843076603 702814284 /nfs/dbraw/zinc/81/42/84/702814284.db2.gz KQIGSGHILKRCTP-KRWDZBQOSA-N 1 0 316.357 1.953 20 5 DDBDRO O=[N+]([O-])c1ccc(Cl)c(CN2CCN([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000843124884 702824505 /nfs/dbraw/zinc/82/45/05/702824505.db2.gz OGXSQSQRZOHRPJ-CQSZACIVSA-N 1 0 324.812 1.728 20 5 DDBDRO Cc1nn(CCc2nc([C@@H]([NH3+])C(C)C)no2)c(C)c1[N+](=O)[O-] ZINC000843150546 702828825 /nfs/dbraw/zinc/82/88/25/702828825.db2.gz KKGZOZVVSQIVEL-NSHDSACASA-N 1 0 308.342 1.690 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000843274318 702852945 /nfs/dbraw/zinc/85/29/45/702852945.db2.gz HFQQNPHEFNMCPC-SNVBAGLBSA-N 1 0 308.294 1.375 20 5 DDBDRO CC[NH2+]CCCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000843307273 702857478 /nfs/dbraw/zinc/85/74/78/702857478.db2.gz FCCUDFZCYMACRF-UHFFFAOYSA-N 1 0 320.393 1.924 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CC[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000843328059 702860377 /nfs/dbraw/zinc/86/03/77/702860377.db2.gz VBTRMPXCBKZITL-VIFPVBQESA-N 1 0 308.294 1.232 20 5 DDBDRO CN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@@H]1CC[NH2+]C1 ZINC000843351040 702864334 /nfs/dbraw/zinc/86/43/34/702864334.db2.gz AWGQVFRBOBKDBW-LLVKDONJSA-N 1 0 310.329 1.356 20 5 DDBDRO C[C@H]1[NH2+]CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@H]1C ZINC000843377816 702869848 /nfs/dbraw/zinc/86/98/48/702869848.db2.gz UWAFOWYBDBCPIJ-MNOVXSKESA-N 1 0 324.356 1.745 20 5 DDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000843380782 702870553 /nfs/dbraw/zinc/87/05/53/702870553.db2.gz STEPRTYAJWGFBO-CYBMUJFWSA-N 1 0 307.350 1.322 20 5 DDBDRO CCN(OC)C(=O)C[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000843430161 702880269 /nfs/dbraw/zinc/88/02/69/702880269.db2.gz GXRWACDUUBJLRS-LBPRGKRZSA-N 1 0 309.366 1.915 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N[C@H]2CC[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000843483854 702890756 /nfs/dbraw/zinc/89/07/56/702890756.db2.gz FQQOMCBNNBNYHZ-ONGXEEELSA-N 1 0 322.321 1.669 20 5 DDBDRO CN1C[C@H]([N@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)CCC1=O ZINC000846920834 703351930 /nfs/dbraw/zinc/35/19/30/703351930.db2.gz OHDNONXBUJAWFG-KGLIPLIRSA-N 1 0 307.350 1.181 20 5 DDBDRO CC(C)(O)C1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000879627505 706743467 /nfs/dbraw/zinc/74/34/67/706743467.db2.gz IENQEUKIJOMURP-UHFFFAOYSA-N 1 0 309.366 1.239 20 5 DDBDRO C[N@@H+]1CC[C@@H](CCOC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000847829081 703474500 /nfs/dbraw/zinc/47/45/00/703474500.db2.gz WGCFVLPKXWUWTN-JTQLQIEISA-N 1 0 322.317 1.822 20 5 DDBDRO CON(C)CC[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000850480058 703733102 /nfs/dbraw/zinc/73/31/02/703733102.db2.gz JFLZQVUALJVQJK-NSHDSACASA-N 1 0 310.354 1.395 20 5 DDBDRO CCO[C@H](CNC(=O)c1ccc(CC)c([N+](=O)[O-])c1)C[NH+](C)C ZINC000831746480 706769394 /nfs/dbraw/zinc/76/93/94/706769394.db2.gz XXYZEMCJRVKCGB-CQSZACIVSA-N 1 0 323.393 1.854 20 5 DDBDRO CC1CCN(CC[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000818956449 704034873 /nfs/dbraw/zinc/03/48/73/704034873.db2.gz LVMSVRWUGDKROB-INIZCTEOSA-N 1 0 307.394 1.950 20 5 DDBDRO CC(=O)N1CCC(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000819019014 704052734 /nfs/dbraw/zinc/05/27/34/704052734.db2.gz FCACHVIJLPPVLG-MRXNPFEDSA-N 1 0 321.377 1.476 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCOC[C@@H]2CCCO2)c1 ZINC000819073817 704065433 /nfs/dbraw/zinc/06/54/33/704065433.db2.gz PMMRRJZHIIAQSL-GJZGRUSLSA-N 1 0 310.350 1.413 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H]2CCn3ccnc3C2)cc1 ZINC000819244437 704094151 /nfs/dbraw/zinc/09/41/51/704094151.db2.gz KGODXMUJGXFXQW-TZMCWYRMSA-N 1 0 302.334 1.429 20 5 DDBDRO COC(=O)[C@H]1C[C@@H]([N@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000852695531 704101633 /nfs/dbraw/zinc/10/16/33/704101633.db2.gz AKLUASHTLRPSKU-YUTCNCBUSA-N 1 0 308.334 1.512 20 5 DDBDRO CC(C)S(=O)(=O)CC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819317989 704106373 /nfs/dbraw/zinc/10/63/73/704106373.db2.gz XNBCQJKRTALZEZ-ZDUSSCGKSA-N 1 0 316.379 1.041 20 5 DDBDRO C[NH2+]C[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000852920227 704172810 /nfs/dbraw/zinc/17/28/10/704172810.db2.gz OKIMFHZMTLJKKQ-NSHDSACASA-N 1 0 306.366 1.533 20 5 DDBDRO COc1ccc(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-] ZINC000870977820 704188748 /nfs/dbraw/zinc/18/87/48/704188748.db2.gz XXIIMZKZHQHVGL-LMKPVCQUSA-N 1 0 319.361 1.864 20 5 DDBDRO Cc1ccc(N2CCC([N@@H+]3CC[C@H](O)C3)CC2)c([N+](=O)[O-])c1 ZINC000853965077 704341377 /nfs/dbraw/zinc/34/13/77/704341377.db2.gz DLYYIRYQHBVFKB-AWEZNQCLSA-N 1 0 305.378 1.939 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000853966234 704341836 /nfs/dbraw/zinc/34/18/36/704341836.db2.gz QKCVPHRRPMETOK-OAHLLOKOSA-N 1 0 305.378 1.939 20 5 DDBDRO Cc1cc(Cl)c(C(=O)N[C@H](CO)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000854463215 704401371 /nfs/dbraw/zinc/40/13/71/704401371.db2.gz ANVBNBPUEPFVFV-VIFPVBQESA-N 1 0 315.757 1.209 20 5 DDBDRO O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)c1 ZINC000866825333 706815726 /nfs/dbraw/zinc/81/57/26/706815726.db2.gz PTUFHRYCHGHTKF-STQMWFEESA-N 1 0 311.363 1.110 20 5 DDBDRO CN(C)c1cc(F)c(C(=O)N(C)CC2C[NH+](C)C2)cc1[N+](=O)[O-] ZINC000855641477 704494537 /nfs/dbraw/zinc/49/45/37/704494537.db2.gz MALNCRPCVNXGAI-UHFFFAOYSA-N 1 0 324.356 1.434 20 5 DDBDRO CN(C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000823513730 705258441 /nfs/dbraw/zinc/25/84/41/705258441.db2.gz OKKDJSORALNHKL-AWEZNQCLSA-N 1 0 307.350 1.181 20 5 DDBDRO Nc1ccc(NC(=O)N[C@H]2CC[N@H+](CC3CC3)C2)cc1[N+](=O)[O-] ZINC000823994247 705351614 /nfs/dbraw/zinc/35/16/14/705351614.db2.gz ORGMDZKJXOJPSI-LBPRGKRZSA-N 1 0 319.365 1.783 20 5 DDBDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000824969646 705569371 /nfs/dbraw/zinc/56/93/71/705569371.db2.gz HQAMCANBYBNADM-SWLSCSKDSA-N 1 0 321.377 1.619 20 5 DDBDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000825471956 705677306 /nfs/dbraw/zinc/67/73/06/705677306.db2.gz FVZGOJPTJOZFHC-DOMZBBRYSA-N 1 0 321.377 1.475 20 5 DDBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825615411 705703386 /nfs/dbraw/zinc/70/33/86/705703386.db2.gz VOVQYDSIGGGLGZ-BXUZGUMPSA-N 1 0 309.366 1.475 20 5 DDBDRO C[N@@H+]1CCCC[C@H](CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000862788447 705798106 /nfs/dbraw/zinc/79/81/06/705798106.db2.gz CVSGDGAAHYKAMU-LLVKDONJSA-N 1 0 306.366 1.639 20 5 DDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]CCOc3cccnc3)C2)c1 ZINC000877037732 705967998 /nfs/dbraw/zinc/96/79/98/705967998.db2.gz AOTJEEJULOIBMO-UHFFFAOYSA-N 1 0 303.322 1.558 20 5 DDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@@H]3CSCCS3)C2)c1 ZINC000877084483 705979064 /nfs/dbraw/zinc/97/90/64/705979064.db2.gz GBJVTPSFDNDLAT-RTYFJBAXSA-N 1 0 314.436 1.933 20 5 DDBDRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)/C=C\c1ccc([N+](=O)[O-])cc1)C2 ZINC000877380215 706087739 /nfs/dbraw/zinc/08/77/39/706087739.db2.gz XQJDBWQECDMFPJ-DQLVLJLFSA-N 1 0 301.346 1.676 20 5 DDBDRO C[NH+](C)CCN1CCC(Nc2ccnc(F)c2[N+](=O)[O-])CC1 ZINC000881802836 707371138 /nfs/dbraw/zinc/37/11/38/707371138.db2.gz UIWINAGEQKIXMM-UHFFFAOYSA-N 1 0 311.361 1.567 20 5 DDBDRO O=C1NCCC12CC[NH+](CCc1ccc([N+](=O)[O-])cc1)CC2 ZINC000877782110 706209593 /nfs/dbraw/zinc/20/95/93/706209593.db2.gz LFLKEOOHIXUSKA-UHFFFAOYSA-N 1 0 303.362 1.739 20 5 DDBDRO C[NH+](C)CC(C)(C)CNC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000864610517 706211514 /nfs/dbraw/zinc/21/15/14/706211514.db2.gz PHZHWXVTVCCJJJ-UHFFFAOYSA-N 1 0 311.357 1.980 20 5 DDBDRO Cc1nccnc1[C@H](C)[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877828605 706225936 /nfs/dbraw/zinc/22/59/36/706225936.db2.gz MRSRCFCXTZBYCF-UNXYVOJBSA-N 1 0 302.338 1.944 20 5 DDBDRO C[C@@H]1C[C@@H]([NH2+][C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)CS1 ZINC000877829920 706226459 /nfs/dbraw/zinc/22/64/59/706226459.db2.gz AHVAYUFIEBNYJL-WGEPELCKSA-N 1 0 312.391 1.473 20 5 DDBDRO O=[N+]([O-])c1ccc(NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c([N+](=O)[O-])c1 ZINC000829010298 706272735 /nfs/dbraw/zinc/27/27/35/706272735.db2.gz QSNWXBXOLLZBGI-TXEJJXNPSA-N 1 0 322.321 1.778 20 5 DDBDRO Cn1cc(C[NH2+][C@@H]2CCc3ccccc3OC2)c([N+](=O)[O-])n1 ZINC000878563659 706428830 /nfs/dbraw/zinc/42/88/30/706428830.db2.gz XUWVVIRUDZTNFG-CYBMUJFWSA-N 1 0 302.334 1.812 20 5 DDBDRO Cc1ccc(NCCCNC(=O)C[C@@H]([NH3+])C2CC2)c([N+](=O)[O-])c1 ZINC000830219319 706478179 /nfs/dbraw/zinc/47/81/79/706478179.db2.gz NXZHOPITSCXXJF-CYBMUJFWSA-N 1 0 320.393 1.949 20 5 DDBDRO COCC1([N@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCC1 ZINC000880187367 706905449 /nfs/dbraw/zinc/90/54/49/706905449.db2.gz JUIIYNANDAUWEL-CQSZACIVSA-N 1 0 324.377 1.835 20 5 DDBDRO CO[C@H]1COCC[C@@H]1[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000880428828 706972469 /nfs/dbraw/zinc/97/24/69/706972469.db2.gz SLXGGNNUNXYSAF-GJZGRUSLSA-N 1 0 310.350 1.709 20 5 DDBDRO CC1(C)C[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H]2COC[C@@H]21 ZINC000832779266 706981873 /nfs/dbraw/zinc/98/18/73/706981873.db2.gz XRTXKDJKJWBEET-ZNMIVQPWSA-N 1 0 306.362 1.985 20 5 DDBDRO O=C(N[C@@H]1C[NH2+]CCC1(F)F)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000834841618 707135424 /nfs/dbraw/zinc/13/54/24/707135424.db2.gz PXXHUHPCSURATA-SNVBAGLBSA-N 1 0 319.695 1.975 20 5 DDBDRO O=[N+]([O-])c1ccc(F)cc1Cn1cc(C[C@@H]2CC[NH2+]C2)nn1 ZINC000881225812 707158011 /nfs/dbraw/zinc/15/80/11/707158011.db2.gz GKGXPOGWMJNNDQ-JTQLQIEISA-N 1 0 305.313 1.526 20 5 DDBDRO CC(C)(O)C[C@@H](O)C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000871974136 707262673 /nfs/dbraw/zinc/26/26/73/707262673.db2.gz ZNKWKMQJVLGPOM-OAHLLOKOSA-N 1 0 323.393 1.239 20 5 DDBDRO C[C@@H](NC[C@@H]1C[N@H+](C)CCN1C)c1c(F)cccc1[N+](=O)[O-] ZINC000872036705 707284380 /nfs/dbraw/zinc/28/43/80/707284380.db2.gz VKXWGKMFSIKDOI-VXGBXAGGSA-N 1 0 310.373 1.630 20 5 DDBDRO CC1(C)[C@H]2[C@H](CCC[N@@H+]2CCn2cc([N+](=O)[O-])ccc2=O)[C@@H]1O ZINC000872259607 707352609 /nfs/dbraw/zinc/35/26/09/707352609.db2.gz YMOHCHLOSOFCAR-CFVMTHIKSA-N 1 0 321.377 1.238 20 5 DDBDRO CN1CCCC[C@@H]([N@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000872266959 707356179 /nfs/dbraw/zinc/35/61/79/707356179.db2.gz IUNSXZFYRPVYQN-CABCVRRESA-N 1 0 321.377 1.571 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000873297847 707802914 /nfs/dbraw/zinc/80/29/14/707802914.db2.gz BWDHBODCXOYBHB-OLZOCXBDSA-N 1 0 303.362 1.893 20 5 DDBDRO CC[N@@H+]1CC[C@H]1CNC(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000883170360 707946629 /nfs/dbraw/zinc/94/66/29/707946629.db2.gz RSHCSJCGJJDBDX-LBPRGKRZSA-N 1 0 322.365 1.497 20 5 DDBDRO CC[N@@H+]1CC[C@H]1CNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000883468558 708009938 /nfs/dbraw/zinc/00/99/38/708009938.db2.gz WHFFAAJYPHVNAU-ZDUSSCGKSA-N 1 0 306.366 1.531 20 5 DDBDRO CNC(=O)c1ccc(N2CCC23CC[NH+](C)CC3)c([N+](=O)[O-])c1 ZINC000897136822 708237603 /nfs/dbraw/zinc/23/76/03/708237603.db2.gz KDMREGOHSZKHSG-UHFFFAOYSA-N 1 0 318.377 1.629 20 5 DDBDRO Nc1ccc(N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)c([N+](=O)[O-])c1 ZINC000897219936 708258028 /nfs/dbraw/zinc/25/80/28/708258028.db2.gz QIXSAFORLSYVGA-QWHCGFSZSA-N 1 0 306.366 1.212 20 5 DDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000897221369 708259312 /nfs/dbraw/zinc/25/93/12/708259312.db2.gz MBDSGDKSQTZXHM-CHWSQXEVSA-N 1 0 323.397 1.155 20 5 DDBDRO COc1cc(N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)ccc1[N+](=O)[O-] ZINC000897221298 708259513 /nfs/dbraw/zinc/25/95/13/708259513.db2.gz KYGCWZGFLOFPIZ-ZIAGYGMSSA-N 1 0 321.377 1.639 20 5 DDBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@H]2CCN2C2CCOCC2)cc1 ZINC000897229715 708262808 /nfs/dbraw/zinc/26/28/08/708262808.db2.gz WENIIUNWGFJRLG-QGZVFWFLSA-N 1 0 319.405 1.980 20 5 DDBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCCc1nnnn1C ZINC000898039836 708525914 /nfs/dbraw/zinc/52/59/14/708525914.db2.gz HQSVFQDQKGSHGD-LBPRGKRZSA-N 1 0 318.381 1.662 20 5 DDBDRO O=[N+]([O-])c1ncccc1CN1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000885985950 708676270 /nfs/dbraw/zinc/67/62/70/708676270.db2.gz VJCDJOWUYUPUFX-UONOGXRCSA-N 1 0 306.366 1.021 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H]1C[C@H]([NH+](C)C)C12CCC2 ZINC000898842706 708886393 /nfs/dbraw/zinc/88/63/93/708886393.db2.gz XDPLACJXKHULKT-NEPJUHHUSA-N 1 0 321.381 1.089 20 5 DDBDRO C[NH2+]C1(CNC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CCC1 ZINC000899149638 709000837 /nfs/dbraw/zinc/00/08/37/709000837.db2.gz CQJJLYHLJRVLFS-ZIAGYGMSSA-N 1 0 303.362 1.957 20 5 DDBDRO O=[N+]([O-])c1ncccc1Cn1cc(C[C@@H]2CCC[NH2+]C2)nn1 ZINC000887462987 709048770 /nfs/dbraw/zinc/04/87/70/709048770.db2.gz LLVJTSMIQNOFND-NSHDSACASA-N 1 0 302.338 1.172 20 5 DDBDRO C[C@H](NC(=O)[C@@]1(C)C[C@H](O)C[N@@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000900267539 709512462 /nfs/dbraw/zinc/51/24/62/709512462.db2.gz HQYHBQJVYCXDMH-VZJVUDMVSA-N 1 0 307.350 1.227 20 5 DDBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912925286 713126597 /nfs/dbraw/zinc/12/65/97/713126597.db2.gz GEGPFHRCKHORAN-CYBMUJFWSA-N 1 0 321.402 1.994 20 5 DDBDRO COc1c(O)ccc(CN(C)[C@H]2CC[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000891941324 710333948 /nfs/dbraw/zinc/33/39/48/710333948.db2.gz WGEXUYHLQFHFFF-ZDUSSCGKSA-N 1 0 321.377 1.978 20 5 DDBDRO C[C@@H]1CC[N@H+](CCNC(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000892418317 710434117 /nfs/dbraw/zinc/43/41/17/710434117.db2.gz OSNFMOFLKVKIJN-GFCCVEGCSA-N 1 0 306.366 1.736 20 5 DDBDRO C[C@H]1[C@H](NC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)CC[N@@H+]1C ZINC000928438601 713195906 /nfs/dbraw/zinc/19/59/06/713195906.db2.gz GIDSEGYKKFEHRN-JOYOIKCWSA-N 1 0 324.356 1.622 20 5 DDBDRO CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000902433223 710752696 /nfs/dbraw/zinc/75/26/96/710752696.db2.gz ZANDQFLJZKOHHN-NJZAAPMLSA-N 1 0 321.377 1.582 20 5 DDBDRO CCCc1n[nH]c(C(=O)N2CCC(C)([NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000913397270 713208096 /nfs/dbraw/zinc/20/80/96/713208096.db2.gz BIFRGUYAMVGVJV-UHFFFAOYSA-N 1 0 323.397 1.827 20 5 DDBDRO COc1cc([C@H](C)[NH2+][C@@H](C)Cn2cncn2)cc([N+](=O)[O-])c1 ZINC000903083154 711026796 /nfs/dbraw/zinc/02/67/96/711026796.db2.gz AEVWOLKCTHSYRO-QWRGUYRKSA-N 1 0 305.338 1.934 20 5 DDBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CCN(C)[C@H]1C ZINC000903302852 711094521 /nfs/dbraw/zinc/09/45/21/711094521.db2.gz GIECIXFYBSUOHV-TYNCELHUSA-N 1 0 320.393 1.994 20 5 DDBDRO [NH3+]C1CC(CC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000912000414 711110554 /nfs/dbraw/zinc/11/05/54/711110554.db2.gz DGLSDIOZKBPSOT-UHFFFAOYSA-N 1 0 318.377 1.371 20 5 DDBDRO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CC([NH+]2CCCC2)C1 ZINC000912325175 711279766 /nfs/dbraw/zinc/27/97/66/711279766.db2.gz RBKGSCXHGDEBQG-UHFFFAOYSA-N 1 0 308.313 1.236 20 5 DDBDRO C[C@]1(NC(=O)Cc2cccc(F)c2[N+](=O)[O-])C[NH+]2CCC1CC2 ZINC000912373398 711297460 /nfs/dbraw/zinc/29/74/60/711297460.db2.gz CIWOTYQFCMQDIO-INIZCTEOSA-N 1 0 321.352 1.877 20 5 DDBDRO COc1c(O)ccc(C[N@@H+]2CC[C@H](C(C)(C)O)C2)c1[N+](=O)[O-] ZINC000895952778 711654591 /nfs/dbraw/zinc/65/45/91/711654591.db2.gz JIYDAUGFZBETCU-NSHDSACASA-N 1 0 310.350 1.902 20 5 DDBDRO C[NH+](C)CC1(O)CCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000913683000 713280500 /nfs/dbraw/zinc/28/05/00/713280500.db2.gz HZNWKYYHQYVOKD-UHFFFAOYSA-N 1 0 321.377 1.052 20 5 DDBDRO CSc1nnc(CCC[NH2+]CC[N+](=O)[O-])n1CC(C)C ZINC000905036778 711915936 /nfs/dbraw/zinc/91/59/36/711915936.db2.gz UYEANTVCFGBRDL-UHFFFAOYSA-N 1 0 301.416 1.455 20 5 DDBDRO CC1(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC(F)(F)C1 ZINC000905423934 712034148 /nfs/dbraw/zinc/03/41/48/712034148.db2.gz ZRQRGLKAEKEXTD-SNVBAGLBSA-N 1 0 304.297 1.177 20 5 DDBDRO CC(C)[NH2+]Cc1cn(CCOc2ccccc2[N+](=O)[O-])nn1 ZINC000905792367 712147532 /nfs/dbraw/zinc/14/75/32/712147532.db2.gz MLNQIFGFSYVOTA-UHFFFAOYSA-N 1 0 305.338 1.763 20 5 DDBDRO C[C@@H]1COC[C@@H]1[NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000905868332 712170481 /nfs/dbraw/zinc/17/04/81/712170481.db2.gz RPATVSWMOZZJEW-HONMWMINSA-N 1 0 305.334 1.325 20 5 DDBDRO O=C([C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000906627898 712373806 /nfs/dbraw/zinc/37/38/06/712373806.db2.gz QRSFPTVYWHAYLK-OCVGTWLNSA-N 1 0 315.373 1.766 20 5 DDBDRO C[C@@H](NC(=O)C1CN(C)CC[N@H+](C)C1)c1ccccc1[N+](=O)[O-] ZINC000907220865 712515733 /nfs/dbraw/zinc/51/57/33/712515733.db2.gz LOQINPUUOFGZEF-GFCCVEGCSA-N 1 0 320.393 1.265 20 5 DDBDRO C[C@@H]1[C@@H](NC(=O)NCCc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000914325478 713378841 /nfs/dbraw/zinc/37/88/41/713378841.db2.gz LECWURGBXPVETF-RISCZKNCSA-N 1 0 306.366 1.529 20 5 DDBDRO COC(=O)/C=C\c1ccc(NC[C@@H](O)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000915213772 713412872 /nfs/dbraw/zinc/41/28/72/713412872.db2.gz NDYFTWGVMMJXBI-SMYYYNMVSA-N 1 0 323.349 1.115 20 5 DDBDRO O=C(OCC[NH+]1CCCCC1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000917510557 713501573 /nfs/dbraw/zinc/50/15/73/713501573.db2.gz RUKRUHQZZAZTRL-UHFFFAOYSA-N 1 0 322.317 1.966 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000930544326 713862952 /nfs/dbraw/zinc/86/29/52/713862952.db2.gz FZPHLQURULSURK-NWDGAFQWSA-N 1 0 323.397 1.336 20 5 DDBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000931045653 713990062 /nfs/dbraw/zinc/99/00/62/713990062.db2.gz YEHBZKPAERPNBC-MCIONIFRSA-N 1 0 323.393 1.359 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931280482 714055777 /nfs/dbraw/zinc/05/57/77/714055777.db2.gz FGFHRFNZVDADDV-VIKVFOODSA-N 1 0 318.377 1.334 20 5 DDBDRO C[NH+](C)[C@@H]1[C@H]2CN(CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000931281563 714056219 /nfs/dbraw/zinc/05/62/19/714056219.db2.gz UHXCQFNOWNRQFW-FOLVSLTJSA-N 1 0 318.377 1.415 20 5 DDBDRO C[C@@H]1[C@H]([NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CCN1C ZINC000922556758 714087796 /nfs/dbraw/zinc/08/77/96/714087796.db2.gz JKTKCGRYKMGLSF-ZYHUDNBSSA-N 1 0 307.350 1.548 20 5 DDBDRO COc1cc(C[NH2+][C@@H]2CCN(C)[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000922557337 714087977 /nfs/dbraw/zinc/08/79/77/714087977.db2.gz OEOVQLIWOIYUAL-CMPLNLGQSA-N 1 0 309.366 1.794 20 5 DDBDRO COC(=O)COc1ccc(C[NH2+][C@@H]2COC[C@H]2C)cc1[N+](=O)[O-] ZINC000922641358 714108911 /nfs/dbraw/zinc/10/89/11/714108911.db2.gz GZJLPMVRJXEWND-ZYHUDNBSSA-N 1 0 324.333 1.271 20 5 DDBDRO O=[N+]([O-])c1ccccc1CN1CC[NH+](CCCCCO)CC1 ZINC000931495302 714111380 /nfs/dbraw/zinc/11/13/80/714111380.db2.gz HSZBPJCLQDRBTB-UHFFFAOYSA-N 1 0 307.394 1.875 20 5 DDBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]CCO[C@H]1CCOC1)OCCO2 ZINC000922939439 714192729 /nfs/dbraw/zinc/19/27/29/714192729.db2.gz ORPYIOBRTALZMZ-LBPRGKRZSA-N 1 0 324.333 1.261 20 5 DDBDRO COc1cc(C(=O)N2[C@@H]3CC[C@H]2C[N@H+](C)CC3)ccc1[N+](=O)[O-] ZINC000923294844 714300491 /nfs/dbraw/zinc/30/04/91/714300491.db2.gz OUCRWJOKNJXYRL-OLZOCXBDSA-N 1 0 319.361 1.912 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2[C@@H]3CC[C@H]2C[N@H+](C)CC3)c1 ZINC000923298889 714302072 /nfs/dbraw/zinc/30/20/72/714302072.db2.gz LWSSVLNWJJHFPX-NEPJUHHUSA-N 1 0 319.361 1.912 20 5 DDBDRO O=C1N[C@H](C2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)CO1 ZINC000932779303 714412308 /nfs/dbraw/zinc/41/23/08/714412308.db2.gz NICZJSSMGSENCF-HNNXBMFYSA-N 1 0 319.361 1.958 20 5 DDBDRO O=C1NC[C@H](O)CC12CC[NH+](Cc1cccc([N+](=O)[O-])c1)CC2 ZINC000932840224 714423959 /nfs/dbraw/zinc/42/39/59/714423959.db2.gz WIAKXVIOJIMOTP-CQSZACIVSA-N 1 0 319.361 1.058 20 5 DDBDRO CC(C)(CCc1noc([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)n1)[N+](=O)[O-] ZINC000924079308 714522094 /nfs/dbraw/zinc/52/20/94/714522094.db2.gz UPRLWAYAHFVBOW-MNOVXSKESA-N 1 0 310.354 1.593 20 5 DDBDRO C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3cccc([N+](=O)[O-])c3)C[C@H]2C1 ZINC000935693903 715118396 /nfs/dbraw/zinc/11/83/96/715118396.db2.gz DRRDRDRBMWDWKK-LQKXBSAESA-N 1 0 315.373 1.718 20 5 DDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[C@H]2C[N@@H+](CC3CC3)C[C@H]2CC1 ZINC000946589388 718844178 /nfs/dbraw/zinc/84/41/78/718844178.db2.gz WUGBQCNAAVGODS-LXTVHRRPSA-N 1 0 307.394 1.232 20 5 DDBDRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1cccc([N+](=O)[O-])n1 ZINC001164932527 721853907 /nfs/dbraw/zinc/85/39/07/721853907.db2.gz YQVAGGKZVBCUMK-OLZOCXBDSA-N 1 0 305.382 1.204 20 5 DDBDRO CCOC(=O)c1ccnc(N2CCC[C@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000077963317 721898462 /nfs/dbraw/zinc/89/84/62/721898462.db2.gz YBAFIZNDNMKNEU-NSHDSACASA-N 1 0 322.365 1.697 20 5 DDBDRO Nc1ccc(N2CCC([NH2+]C3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC001120950828 782252898 /nfs/dbraw/zinc/25/28/98/782252898.db2.gz QZEUAPFCKRQXSA-UHFFFAOYSA-N 1 0 320.393 1.914 20 5 DDBDRO O=C(NCC[NH2+]Cc1ccccc1[N+](=O)[O-])C1CC(F)(F)C1 ZINC001125488814 733593622 /nfs/dbraw/zinc/59/36/22/733593622.db2.gz BSBYIDYNZNKSHM-UHFFFAOYSA-N 1 0 313.304 1.846 20 5 DDBDRO O=C(/C=C/c1ccc[nH]1)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001126239051 738744645 /nfs/dbraw/zinc/74/46/45/738744645.db2.gz SDOOIPCVUUOLQE-ONEGZZNKSA-N 1 0 320.374 1.904 20 5 DDBDRO CCOC(=O)c1cc(-n2ccc(C[NH3+])cc2=N)ccc1[N+](=O)[O-] ZINC001167693203 736191966 /nfs/dbraw/zinc/19/19/66/736191966.db2.gz BZIVYPHWWFSVRV-UHFFFAOYSA-N 1 0 316.317 1.500 20 5 DDBDRO O=[N+]([O-])c1cc(Br)cc(O)c1O[C@H]1CC[NH2+]C1 ZINC001218182105 736246356 /nfs/dbraw/zinc/24/63/56/736246356.db2.gz VAWTXSONBXHWGM-ZETCQYMHSA-N 1 0 303.112 1.804 20 5 DDBDRO Cc1ccnc(C(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)n1 ZINC001126467975 740277684 /nfs/dbraw/zinc/27/76/84/740277684.db2.gz OMXOAXZMBBCMPO-UHFFFAOYSA-N 1 0 321.362 1.274 20 5 DDBDRO [NH3+]Cc1cnn(-c2nc3cc([N+](=O)[O-])ccc3nc2Cl)c1 ZINC001168256926 741850965 /nfs/dbraw/zinc/85/09/65/741850965.db2.gz JHMJJDJFYUFWNP-UHFFFAOYSA-N 1 0 304.697 1.836 20 5 DDBDRO CC(C)=CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC2 ZINC001035704653 751790977 /nfs/dbraw/zinc/79/09/77/751790977.db2.gz VROPVRKBJBLKPI-ZIAGYGMSSA-N 1 0 307.394 1.542 20 5 DDBDRO NC(=[NH2+])c1nccn1-c1ccc2cc(F)cc([N+](=O)[O-])c2n1 ZINC001168416647 744331953 /nfs/dbraw/zinc/33/19/53/744331953.db2.gz ZPUWAQAIVQTPQD-UHFFFAOYSA-N 1 0 300.253 1.752 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1NC[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC001187616196 744585626 /nfs/dbraw/zinc/58/56/26/744585626.db2.gz UNECGXPYXCQSBK-STQMWFEESA-N 1 0 323.397 1.631 20 5 DDBDRO Cc1[nH]nc(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1C ZINC001125039508 748808185 /nfs/dbraw/zinc/80/81/85/748808185.db2.gz JGEKYZXRVPAATP-UHFFFAOYSA-N 1 0 317.349 1.454 20 5 DDBDRO C[C@@H](C[NH3+])NC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000876829035 749330383 /nfs/dbraw/zinc/33/03/83/749330383.db2.gz AIKXEJWTPMGYLE-LURJTMIESA-N 1 0 302.128 1.434 20 5 DDBDRO [NH3+]CC[C@@H]1CN(c2c[n+]([O-])ccc2[N+](=O)[O-])c2ccccc21 ZINC001168550027 750649508 /nfs/dbraw/zinc/64/95/08/750649508.db2.gz RRNCHRBQTMFECC-LLVKDONJSA-N 1 0 300.318 1.812 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@@H]3c3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC001129080696 751247148 /nfs/dbraw/zinc/24/71/48/751247148.db2.gz VGECPZAUWXQULS-MIGQKNRLSA-N 1 0 315.373 1.861 20 5 DDBDRO CC(=O)N1CCc2cc(-n3cc(CC[NH3+])cn3)cc([N+](=O)[O-])c21 ZINC001168952930 762141314 /nfs/dbraw/zinc/14/13/14/762141314.db2.gz UNONOVZGTSXLTM-UHFFFAOYSA-N 1 0 315.333 1.191 20 5 DDBDRO CCOC(=O)C1(N[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC[NH+](C)CC1 ZINC001168976712 762145953 /nfs/dbraw/zinc/14/59/53/762145953.db2.gz FRCFRBOOUCKHCE-CHWSQXEVSA-N 1 0 313.398 1.049 20 5 DDBDRO COC(=O)c1cccc(C(=[NH2+])N[C@@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001168985040 762152393 /nfs/dbraw/zinc/15/23/93/762152393.db2.gz CGDBCGJVJKQKPV-GXFFZTMASA-N 1 0 305.334 1.834 20 5 DDBDRO COC(=O)[C@H](O)[C@@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccccc1 ZINC001168967939 762158156 /nfs/dbraw/zinc/15/81/56/762158156.db2.gz UXQFWNCEXNIVTF-CYUUQNCZSA-N 1 0 322.361 1.297 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2cn(Cc3ccncc3)cn2)C1 ZINC001168997156 762169786 /nfs/dbraw/zinc/16/97/86/762169786.db2.gz BTWBTNVRFDBJCG-HUUCEWRRSA-N 1 0 315.377 1.861 20 5 DDBDRO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169007214 762175090 /nfs/dbraw/zinc/17/50/90/762175090.db2.gz LWUCKTKQSZHBRU-LXTVHRRPSA-N 1 0 317.389 1.713 20 5 DDBDRO O=C(C1CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1)N1CCCC1 ZINC001169027124 762183512 /nfs/dbraw/zinc/18/35/12/762183512.db2.gz PEBQPGODMQBGEL-ZFWWWQNUSA-N 1 0 309.410 1.766 20 5 DDBDRO O=C(c1ccco1)N1CCC[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169037072 762192568 /nfs/dbraw/zinc/19/25/68/762192568.db2.gz IOZMOAPQUFWNIL-KBPBESRZSA-N 1 0 321.377 1.873 20 5 DDBDRO O=C(NC1CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1)N1CCCC1 ZINC001169042084 762195739 /nfs/dbraw/zinc/19/57/39/762195739.db2.gz CUDDIDYOIABSQZ-HIFRSBDPSA-N 1 0 324.425 1.702 20 5 DDBDRO COC[C@H]1Cn2nccc2C[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169026720 762203085 /nfs/dbraw/zinc/20/30/85/762203085.db2.gz NLIUFLOZFOOPOV-MCIONIFRSA-N 1 0 308.382 1.407 20 5 DDBDRO C[NH+](C)C[C@@]12C[C@@H]1CN(c1ccc3[nH]cc([N+](=O)[O-])c3n1)C2 ZINC001156385730 762693730 /nfs/dbraw/zinc/69/37/30/762693730.db2.gz QBKHACGFEGHFJM-MEBBXXQBSA-N 1 0 301.350 1.859 20 5 DDBDRO O=[N+]([O-])c1ccnc(-c2nc(-c3ccc4c(n3)CC[NH2+]C4)no2)c1 ZINC001212580658 761829631 /nfs/dbraw/zinc/82/96/31/761829631.db2.gz UGGIUCMODXOCNL-UHFFFAOYSA-N 1 0 324.300 1.748 20 5 DDBDRO C[C@H](Nc1ccc2cc([N+](=O)[O-])ccc2n1)[C@@H]1C[NH2+]CCO1 ZINC001170565667 768164708 /nfs/dbraw/zinc/16/47/08/768164708.db2.gz WBEBBEDUXKQDTG-HZMBPMFUSA-N 1 0 302.334 1.932 20 5 DDBDRO COc1ccc(C[C@@H](C)[NH2+]CCN2CCOC2=O)c([N+](=O)[O-])c1 ZINC001170305485 766231465 /nfs/dbraw/zinc/23/14/65/766231465.db2.gz LMOBSABPCZIVQO-LLVKDONJSA-N 1 0 323.349 1.576 20 5 DDBDRO COc1ccc(C[C@H](C)[NH2+]CCCOCCO)c([N+](=O)[O-])c1 ZINC001170317355 766247372 /nfs/dbraw/zinc/24/73/72/766247372.db2.gz GPNFAADSROIGEZ-LBPRGKRZSA-N 1 0 312.366 1.523 20 5 DDBDRO COc1ccc(C[C@H](C)[NH2+][C@@H]2CCC(=O)NC2)c([N+](=O)[O-])c1 ZINC001170307837 766259794 /nfs/dbraw/zinc/25/97/94/766259794.db2.gz ISDLGDMPPQKENN-CMPLNLGQSA-N 1 0 307.350 1.403 20 5 DDBDRO CCn1c([C@H](C)[N+](=O)[O-])nnc1N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC001121698900 782633065 /nfs/dbraw/zinc/63/30/65/782633065.db2.gz LUVJVWAONGESML-QJPTWQEYSA-N 1 0 308.386 1.166 20 5 DDBDRO Cc1ncc(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])n1C ZINC001132886125 769288656 /nfs/dbraw/zinc/28/86/56/769288656.db2.gz CWHOKEZDQGYOBQ-UHFFFAOYSA-N 1 0 317.349 1.156 20 5 DDBDRO Cc1ccnn1CC(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001134513098 771024428 /nfs/dbraw/zinc/02/44/28/771024428.db2.gz AUGZRGHZSUHGBL-UHFFFAOYSA-N 1 0 317.349 1.006 20 5 DDBDRO O=[N+]([O-])c1ccc(N[C@@H]2C[NH2+]C[C@@H]2CO)c(C(F)(F)F)c1 ZINC001170783630 771274866 /nfs/dbraw/zinc/27/48/66/771274866.db2.gz YNGZDILLRRZAKF-RDDDGLTNSA-N 1 0 305.256 1.606 20 5 DDBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001136922228 772211364 /nfs/dbraw/zinc/21/13/64/772211364.db2.gz AMYYMIPUZRVKFL-IINYFYTJSA-N 1 0 306.366 1.589 20 5 DDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](O)[C@](C)(CO)C1 ZINC001173222731 777055738 /nfs/dbraw/zinc/05/57/38/777055738.db2.gz UZRGCJRGYOHNDL-KCXAZCMYSA-N 1 0 308.378 1.591 20 5 DDBDRO NC(=O)C[C@H]1CCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001116491570 780514991 /nfs/dbraw/zinc/51/49/91/780514991.db2.gz UITGZBNXQJEUAI-RISCZKNCSA-N 1 0 307.350 1.216 20 5 DDBDRO O=C(Cc1cccc(F)c1[N+](=O)[O-])N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001118921841 781273240 /nfs/dbraw/zinc/27/32/40/781273240.db2.gz GPVGBVZAMLEKJT-CYBMUJFWSA-N 1 0 321.352 1.973 20 5 DDBDRO [NH3+]CCN(CC(F)(F)F)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC001119361216 781419453 /nfs/dbraw/zinc/41/94/53/781419453.db2.gz IPPUAMPFBSSIGU-UHFFFAOYSA-N 1 0 319.283 1.877 20 5 DDBDRO O=C(NCC[N@H+](CCc1cccs1)C1CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001267326317 837831297 /nfs/dbraw/zinc/83/12/97/837831297.db2.gz UMAVRQSPQPUUNP-ZIAGYGMSSA-N 1 0 323.418 1.536 20 5 DDBDRO C[NH+](C)Cc1ccc(NC(=O)c2c[nH]nc2[N+](=O)[O-])c(F)c1 ZINC001299306203 849319694 /nfs/dbraw/zinc/31/96/94/849319694.db2.gz JABOYNYYQKDIGU-UHFFFAOYSA-N 1 0 307.285 1.771 20 5 DDBDRO O=[N+]([O-])c1cccc(NC[C@H]2CCC3(CC[NH2+]CC3)CO2)n1 ZINC001155377721 862013386 /nfs/dbraw/zinc/01/33/86/862013386.db2.gz IWTXJJKNDKQSMO-GFCCVEGCSA-N 1 0 306.366 1.951 20 5 DDBDRO Cc1noc([C@]23COC[C@H]2C[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C3)n1 ZINC001169020000 850518406 /nfs/dbraw/zinc/51/84/06/850518406.db2.gz HMMQDZCPHPEFHA-SFDCQRBFSA-N 1 0 322.365 1.023 20 5 DDBDRO O=[N+]([O-])c1cc(NC[C@]23C[NH2+]C[C@H]2COC3)nc2[nH]ccc21 ZINC001155515703 862180923 /nfs/dbraw/zinc/18/09/23/862180923.db2.gz JHKHYMYYCHBZNC-XPTSAGLGSA-N 1 0 303.322 1.119 20 5 DDBDRO CCC[N@H+](CC)CCNC(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001137138892 851723736 /nfs/dbraw/zinc/72/37/36/851723736.db2.gz RWKBVRRAPIHCRY-UHFFFAOYSA-N 1 0 303.750 1.433 20 5 DDBDRO CN(CCC[NH2+]CCc1cccs1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001276002752 854127706 /nfs/dbraw/zinc/12/77/06/854127706.db2.gz YBTRGOMLDBVATR-CHWSQXEVSA-N 1 0 311.407 1.394 20 5 DDBDRO Cc1ncc([N+](=O)[O-])c(N2CC[NH2+]C[C@@H]2c2cccs2)n1 ZINC001156098434 862718547 /nfs/dbraw/zinc/71/85/47/862718547.db2.gz PTANBJPOHQSWRU-SNVBAGLBSA-N 1 0 305.363 1.906 20 5 DDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@]12C[NH2+]C[C@H]1CCOC2 ZINC001121841349 858610101 /nfs/dbraw/zinc/61/01/01/858610101.db2.gz TYGSQCVHNPTKKA-CJNGLKHVSA-N 1 0 319.361 1.179 20 5 DDBDRO C[NH2+]C[C@@H]1CCCCN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC001122160264 858699687 /nfs/dbraw/zinc/69/96/87/858699687.db2.gz ZFGQWQVZVGXDCZ-ZDUSSCGKSA-N 1 0 320.393 1.997 20 5 DDBDRO [NH3+]Cc1nn(-c2c(Cl)[n+]([O-])ccc2[N+](=O)[O-])c2ccccc12 ZINC001156855417 863398555 /nfs/dbraw/zinc/39/85/55/863398555.db2.gz ILKHKLROXWRNQB-UHFFFAOYSA-N 1 0 319.708 1.679 20 5 DDBDRO Cc1nc(C(=O)NCCC[NH2+]Cc2csc([N+](=O)[O-])c2)co1 ZINC001157018357 863520667 /nfs/dbraw/zinc/52/06/67/863520667.db2.gz NTSMROOTVXOXNX-UHFFFAOYSA-N 1 0 324.362 1.862 20 5 DDBDRO COC(=O)[C@@H](CCC[NH3+])Nc1cc([N+](=O)[O-])c2cc[nH]c2n1 ZINC001157116254 863593882 /nfs/dbraw/zinc/59/38/82/863593882.db2.gz NSQZWKXMNTXWPF-SECBINFHSA-N 1 0 307.310 1.164 20 5 DDBDRO COC(=O)c1ccnc(N2C[C@H]3CCC[N@H+](C)[C@@H]3C2)c1[N+](=O)[O-] ZINC001157265913 863694789 /nfs/dbraw/zinc/69/47/89/863694789.db2.gz LIBVLZJHMNBHNH-ZYHUDNBSSA-N 1 0 320.349 1.307 20 5 DDBDRO C[NH2+][C@H](C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)c1cnn(C)c1 ZINC001329498340 863697955 /nfs/dbraw/zinc/69/79/55/863697955.db2.gz GDFCZAZKCXRZGQ-AWEZNQCLSA-N 1 0 315.333 1.131 20 5 DDBDRO C[NH2+][C@H](C)CCNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C ZINC001329571048 863734332 /nfs/dbraw/zinc/73/43/32/863734332.db2.gz KRGSXEZHFPRBSW-SNVBAGLBSA-N 1 0 315.395 1.488 20 5 DDBDRO O=C(NCCC[NH2+]Cc1ccc(CF)cc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157761615 864110657 /nfs/dbraw/zinc/11/06/57/864110657.db2.gz ULCRSZUBDJNGCT-ZIAGYGMSSA-N 1 0 309.341 1.417 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])cnc1NCC(C)(C)C[NH+](C)C ZINC001157940479 864286882 /nfs/dbraw/zinc/28/68/82/864286882.db2.gz OGRADKXJGZCHLL-UHFFFAOYSA-N 1 0 310.354 1.776 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cccc(OC(F)(F)F)c1 ZINC001225325221 881781458 /nfs/dbraw/zinc/78/14/58/881781458.db2.gz ATBJKHKZBFVMMJ-SNVBAGLBSA-N 1 0 322.303 1.948 20 5 DDBDRO Cc1cnc(NCc2ncn3c2C[NH2+]CCC3)c([N+](=O)[O-])c1 ZINC001158355937 864598656 /nfs/dbraw/zinc/59/86/56/864598656.db2.gz IMMZLXXCIPVMTD-UHFFFAOYSA-N 1 0 302.338 1.600 20 5 DDBDRO Cc1cnc(NC[C@H]2O[C@@H](C(C)C)O[C@@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC001159237516 865175614 /nfs/dbraw/zinc/17/56/14/865175614.db2.gz CMRJIPFQXGFIJU-BZPMIXESSA-N 1 0 310.354 1.435 20 5 DDBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N[C@H](C)[C@@H]2C[NH2+]CCO2)n1 ZINC001159496601 865347948 /nfs/dbraw/zinc/34/79/48/865347948.db2.gz KMARNQSBCSORJP-SCZZXKLOSA-N 1 0 300.746 1.740 20 5 DDBDRO Cc1cccc(C(=O)NC[C@H]2C[NH2+]CCC2(F)F)c1[N+](=O)[O-] ZINC001332109892 865582994 /nfs/dbraw/zinc/58/29/94/865582994.db2.gz DCBBCJMAECLCOK-SNVBAGLBSA-N 1 0 313.304 1.878 20 5 DDBDRO O=C(CC[NH2+]CC1CC1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001332187999 865650912 /nfs/dbraw/zinc/65/09/12/865650912.db2.gz BTVYVDQLQUIKIM-UHFFFAOYSA-N 1 0 303.362 1.869 20 5 DDBDRO [NH3+]C[C@@]1(Nc2ncc([N+](=O)[O-])cc2Cl)CN2CCC1CC2 ZINC001160507854 865889753 /nfs/dbraw/zinc/88/97/53/865889753.db2.gz BXESLZVSYBSRNB-CYBMUJFWSA-N 1 0 311.773 1.478 20 5 DDBDRO N=c1ncc(C[NH3+])cn1-c1nc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001161415124 866645498 /nfs/dbraw/zinc/64/54/98/866645498.db2.gz BRWDASVBWUNSFL-UHFFFAOYSA-N 1 0 315.120 1.420 20 5 DDBDRO O=[N+]([O-])c1cc(F)cnc1NC1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC001161464605 866685987 /nfs/dbraw/zinc/68/59/87/866685987.db2.gz NGRYMTZFXKTBFT-GFCCVEGCSA-N 1 0 309.345 1.367 20 5 DDBDRO COc1cc(NCCC[NH+]2CCN(C)CC2)cc([N+](=O)[O-])c1C ZINC001161708574 866920962 /nfs/dbraw/zinc/92/09/62/866920962.db2.gz NSQIYSPFZGARHB-UHFFFAOYSA-N 1 0 322.409 1.961 20 5 DDBDRO Cc1nc(N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)ncc1[N+](=O)[O-] ZINC001324416543 867267515 /nfs/dbraw/zinc/26/75/15/867267515.db2.gz FZCCCNPWJYPGLN-LBPRGKRZSA-N 1 0 320.397 1.274 20 5 DDBDRO COc1cc(C)nc(-n2c(C[NH3+])nc3cnccc32)c1[N+](=O)[O-] ZINC001162215436 867344692 /nfs/dbraw/zinc/34/46/92/867344692.db2.gz ABRYBOLFYKOUOE-UHFFFAOYSA-N 1 0 314.305 1.499 20 5 DDBDRO COC(=O)Cc1ccc(N[C@H]2CCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC001162403131 867514890 /nfs/dbraw/zinc/51/48/90/867514890.db2.gz YFBUMZCNXJDCNF-RYUDHWBXSA-N 1 0 307.350 1.992 20 5 DDBDRO O=[N+]([O-])c1c[nH]c2ncnc(NC[C@]3(F)CCCC[NH2+]C3)c12 ZINC001162579377 867658821 /nfs/dbraw/zinc/65/88/21/867658821.db2.gz JGCASXYTVOOJKS-ZDUSSCGKSA-N 1 0 308.317 1.760 20 5 DDBDRO Cc1nc(Cl)nc(NC[C@@H]2CC[NH2+]C[C@@H]2F)c1[N+](=O)[O-] ZINC001162801239 867834298 /nfs/dbraw/zinc/83/42/98/867834298.db2.gz HUQPOLSQLFSXEW-YUMQZZPRSA-N 1 0 303.725 1.706 20 5 DDBDRO NC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@@H]([NH3+])Cc2ccccc21 ZINC001162841812 867858814 /nfs/dbraw/zinc/85/88/14/867858814.db2.gz PSRLIAXITBMZJC-JTQLQIEISA-N 1 0 313.317 1.110 20 5 DDBDRO C[NH+](C)[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])cnc2N)C1(C)C ZINC001162905184 867910010 /nfs/dbraw/zinc/91/00/10/867910010.db2.gz QIQYXLXZOMJYRT-GHMZBOCLSA-N 1 0 307.354 1.031 20 5 DDBDRO O=[N+]([O-])c1c(F)cccc1N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC001335116698 868075417 /nfs/dbraw/zinc/07/54/17/868075417.db2.gz JMWMXWUYEKKRKK-STQMWFEESA-N 1 0 309.341 1.769 20 5 DDBDRO COC(=O)Cc1ccc(N[C@H]2C[NH+]3CCC2CC3)cc1[N+](=O)[O-] ZINC001163394546 868414070 /nfs/dbraw/zinc/41/40/70/868414070.db2.gz HGLWWGIMOVFPKN-AWEZNQCLSA-N 1 0 319.361 1.816 20 5 DDBDRO C[C@@H](NC(=O)NC[C@@H]1C[NH2+]C[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC001335622246 868431827 /nfs/dbraw/zinc/43/18/27/868431827.db2.gz KFUZJVLBGRYTJZ-UTUOFQBUSA-N 1 0 306.366 1.811 20 5 DDBDRO O=C(C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)NC1CCCC1 ZINC001335674374 868471565 /nfs/dbraw/zinc/47/15/65/868471565.db2.gz WIYDTZJPCVFDLR-CQSZACIVSA-N 1 0 307.350 1.277 20 5 DDBDRO COC(=O)[C@@H](Nc1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-])C(C)(C)C ZINC001163508163 868494792 /nfs/dbraw/zinc/49/47/92/868494792.db2.gz AOPJUBMJXUFENG-LLVKDONJSA-N 1 0 323.353 1.071 20 5 DDBDRO CC(C)(C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)n1ccnc1 ZINC001336845931 869180879 /nfs/dbraw/zinc/18/08/79/869180879.db2.gz SHLMNAPRQPNXPB-CQSZACIVSA-N 1 0 304.350 1.850 20 5 DDBDRO CC[NH+]1CCC(N(C)c2c(Cl)[n+]([O-])ccc2[N+](=O)[O-])CC1 ZINC001165067126 869361119 /nfs/dbraw/zinc/36/11/19/869361119.db2.gz AUKCLKHQYPBRQV-UHFFFAOYSA-N 1 0 314.773 1.802 20 5 DDBDRO COCCC[NH+]1CCN(c2nc(C)cc(C)c2[N+](=O)[O-])CC1 ZINC001165096892 869372029 /nfs/dbraw/zinc/37/20/29/869372029.db2.gz NOYARJUNTWQQNM-UHFFFAOYSA-N 1 0 308.382 1.765 20 5 DDBDRO C[N@H+](C1CN(c2cc(Cl)cc([N+](=O)[O-])n2)C1)[C@@H]1CCOC1 ZINC001165203845 869424753 /nfs/dbraw/zinc/42/47/53/869424753.db2.gz JDYGINPHFZQFQL-SNVBAGLBSA-N 1 0 312.757 1.553 20 5 DDBDRO Cc1ccc(-c2ccc(N3C[C@@H]4[C@H]([NH3+])[C@@H]4C3)nn2)cc1[N+](=O)[O-] ZINC001165382759 869554812 /nfs/dbraw/zinc/55/48/12/869554812.db2.gz VGVGVAHVYZMFJH-DRXBFXEBSA-N 1 0 311.345 1.754 20 5 DDBDRO N=c1nc([C@H]2CCC[NH2+]2)ccn1-c1cc(Cl)ncc1[N+](=O)[O-] ZINC001166700113 870166275 /nfs/dbraw/zinc/16/62/75/870166275.db2.gz HEIHJIGGPNWAQH-MRVPVSSYSA-N 1 0 320.740 1.733 20 5 DDBDRO COC(=O)[C@@H]1C[C@@H]([NH3+])CN1c1nc(Cl)c(C)cc1[N+](=O)[O-] ZINC001166963976 870428401 /nfs/dbraw/zinc/42/84/01/870428401.db2.gz SUPLGDIKRWYDLO-APPZFPTMSA-N 1 0 314.729 1.031 20 5 DDBDRO CC(C)(C(=O)N[C@@H]1COC2(C[NH2+]C2)C1)c1ccc([N+](=O)[O-])cc1 ZINC001340617452 871237776 /nfs/dbraw/zinc/23/77/76/871237776.db2.gz XQAAHNSCXNVKOW-LBPRGKRZSA-N 1 0 319.361 1.120 20 5 DDBDRO CCn1c(CCC[N+](=O)[O-])nnc1N1CCC[N@H+](CC)CC1 ZINC001340884319 871409619 /nfs/dbraw/zinc/40/96/19/871409619.db2.gz LBVUVJGDQRAQDR-UHFFFAOYSA-N 1 0 310.402 1.039 20 5 DDBDRO CC(C)(C)[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)CCO1 ZINC001308169387 871477484 /nfs/dbraw/zinc/47/74/84/871477484.db2.gz XQDKCRYCKLZLQH-AWEZNQCLSA-N 1 0 323.393 1.894 20 5 DDBDRO COc1c(O)ccc(C[NH2+][C@H](C)Cc2cnn(C)c2)c1[N+](=O)[O-] ZINC001308769027 871528534 /nfs/dbraw/zinc/52/85/34/871528534.db2.gz WHBRKKUVNQFQDT-SNVBAGLBSA-N 1 0 320.349 1.763 20 5 DDBDRO CC(C)CC[N@H+](C)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001317872200 871610219 /nfs/dbraw/zinc/61/02/19/871610219.db2.gz LNSAXAIOALDSAJ-HUUCEWRRSA-N 1 0 311.426 1.868 20 5 DDBDRO CCC(C)(C)[NH+]1CCN(c2nnc([C@H](C)[N+](=O)[O-])n2C)CC1 ZINC001341358498 871618967 /nfs/dbraw/zinc/61/89/67/871618967.db2.gz GVMRWMHKKFXSOL-NSHDSACASA-N 1 0 310.402 1.463 20 5 DDBDRO C[NH+](C)[C@H]1CCCC[C@H]1Nc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC001341771644 871817433 /nfs/dbraw/zinc/81/74/33/871817433.db2.gz ZKZIPKTVGBGQFX-KGLIPLIRSA-N 1 0 308.382 1.954 20 5 DDBDRO O=C(NC[C@@H]1C[NH2+]CCCO1)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001341800146 871830341 /nfs/dbraw/zinc/83/03/41/871830341.db2.gz XQCASIJEBCEAPG-KKUMJFAQSA-N 1 0 319.361 1.193 20 5 DDBDRO CCN(C(=O)COc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[NH2+]C1 ZINC001342172737 872049384 /nfs/dbraw/zinc/04/93/84/872049384.db2.gz JMPVGXNBKQTHNI-ZDUSSCGKSA-N 1 0 307.350 1.574 20 5 DDBDRO Cc1cnc(NCC(C)(C)N2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC001318724300 872229462 /nfs/dbraw/zinc/22/94/62/872229462.db2.gz MCSRISJFXPTZPO-UHFFFAOYSA-N 1 0 307.398 1.736 20 5 DDBDRO CN(C(=O)CCOc1ccccc1[N+](=O)[O-])[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001342799503 872391932 /nfs/dbraw/zinc/39/19/32/872391932.db2.gz ZZFFYVVCHRAZPN-HBYGRHMLSA-N 1 0 305.334 1.040 20 5 DDBDRO COc1ccc2nc(CO[C@H](C)C[N+](C)(C)C)c(=O)oc2c1 ZINC001206803691 872608328 /nfs/dbraw/zinc/60/83/28/872608328.db2.gz JELQGTSWWOVCHJ-LLVKDONJSA-N 1 0 307.370 1.808 20 5 DDBDRO CCN(C(=O)CCn1nc(C)c([N+](=O)[O-])c1C)[C@H]1CCC[NH2+]C1 ZINC001346547538 873798756 /nfs/dbraw/zinc/79/87/56/873798756.db2.gz AGFGJLYSXINKRU-ZDUSSCGKSA-N 1 0 323.397 1.399 20 5 DDBDRO C[NH+](C)CCONC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001351000914 876007416 /nfs/dbraw/zinc/00/74/16/876007416.db2.gz BPQPSASJKSODKD-UHFFFAOYSA-N 1 0 321.255 1.837 20 5 DDBDRO CC[NH+](CC)CC[C@@H](C)NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC001351126461 876071939 /nfs/dbraw/zinc/07/19/39/876071939.db2.gz IPGUQSJPXFDHPU-SNVBAGLBSA-N 1 0 309.370 1.422 20 5 DDBDRO COc1ccc(NC(=O)N2C[C@H]3CC[N@H+](C)[C@H]3C2)c([N+](=O)[O-])c1 ZINC001219572161 878343817 /nfs/dbraw/zinc/34/38/17/878343817.db2.gz DZABFLAZQBXZLL-YGRLFVJLSA-N 1 0 320.349 1.771 20 5 DDBDRO Cc1c(CC(=O)N2CC[C@H](C[NH3+])[C@H](C)C2)cccc1[N+](=O)[O-] ZINC001355064793 878405958 /nfs/dbraw/zinc/40/59/58/878405958.db2.gz ISILSLIYYXCHAS-BXUZGUMPSA-N 1 0 305.378 1.889 20 5 DDBDRO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C2 ZINC001355587601 878633552 /nfs/dbraw/zinc/63/35/52/878633552.db2.gz RNFHWEUFMLYROV-VBNVCKAZSA-N 1 0 301.346 1.946 20 5 DDBDRO CN(C)C1(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC001356594702 879118999 /nfs/dbraw/zinc/11/89/99/879118999.db2.gz DPLDQXJOBMFSMP-HNNXBMFYSA-N 1 0 323.393 1.329 20 5 DDBDRO C[C@]1(C[NH3+])CCN(C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC001357463642 879979891 /nfs/dbraw/zinc/97/98/91/879979891.db2.gz MQGXUDTWGNZHRX-IIAWOOMASA-N 1 0 303.362 1.896 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NCCC[NH2+]C1CC1 ZINC001357678782 880134764 /nfs/dbraw/zinc/13/47/64/880134764.db2.gz OOOYBFBJINSJML-UHFFFAOYSA-N 1 0 307.350 1.865 20 5 DDBDRO [NH3+]C1(CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC001358375882 880416429 /nfs/dbraw/zinc/41/64/29/880416429.db2.gz IVNZZNKQQJMWJM-UHFFFAOYSA-N 1 0 314.139 1.578 20 5 DDBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001358463739 880441203 /nfs/dbraw/zinc/44/12/03/880441203.db2.gz QUUOODRFCPRWKZ-JFUSQASVSA-N 1 0 307.375 1.939 20 5 DDBDRO CC(=O)Oc1ccc(COC(=O)C[C@@H](O)C[N+](C)(C)C)cc1 ZINC001223558497 881003148 /nfs/dbraw/zinc/00/31/48/881003148.db2.gz XKEVUGNTWBPTPU-CQSZACIVSA-N 1 0 310.370 1.112 20 5 DDBDRO COC(=O)[C@@H](O[C@H]1C[NH+]2CCC1CC2)c1ccccc1[N+](=O)[O-] ZINC001223645064 881039708 /nfs/dbraw/zinc/03/97/08/881039708.db2.gz ZLNSTIKYMUMGGI-GJZGRUSLSA-N 1 0 320.345 1.920 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1[nH]c(=S)nc2ccccc21 ZINC001228764969 883658043 /nfs/dbraw/zinc/65/80/43/883658043.db2.gz KEGFLVNEAFXFOT-SNVBAGLBSA-O 1 0 322.410 1.281 20 5 DDBDRO COc1cc(F)c(OC(=O)C[C@@H](O)C[N+](C)(C)C)cc1F ZINC001234270069 887813974 /nfs/dbraw/zinc/81/39/74/887813974.db2.gz FLLSDQSPBASWKA-SECBINFHSA-N 1 0 304.313 1.336 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2C[C@@H](F)[C@@H]([NH3+])C2)c1F ZINC001246523990 892675998 /nfs/dbraw/zinc/67/59/98/892675998.db2.gz CVYZHGGKYKCIFA-GDPRMGEGSA-N 1 0 315.320 1.655 20 5 DDBDRO COc1ccc(C[C@H](C)N2C[C@H](F)C[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC001246575394 892707971 /nfs/dbraw/zinc/70/79/71/892707971.db2.gz CENDUGSILWKWSJ-UHTWSYAYSA-N 1 0 311.357 1.906 20 5 DDBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@@H]2CCC3(C[NH2+]C3)O2)n1 ZINC001247849870 893421544 /nfs/dbraw/zinc/42/15/44/893421544.db2.gz BCSJSHHMWGCKOG-VIFPVBQESA-N 1 0 321.268 1.372 20 5 DDBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@H]2C[C@@H]3C[NH2+]C[C@@H]3O2)n1 ZINC001247910399 893472587 /nfs/dbraw/zinc/47/25/87/893472587.db2.gz AWHCCHJCYPRCSL-DRTBCBBWSA-N 1 0 321.268 1.228 20 5 DDBDRO 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1.819 20 5 DDBDRO C[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(O)c1 ZINC000181580263 199322071 /nfs/dbraw/zinc/32/20/71/199322071.db2.gz BIXWRIRFRARFLP-YGRLFVJLSA-N 1 0 306.322 1.209 20 5 DDBDRO C[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C[C@H]1CCC[C@H]1O ZINC000305358543 529984339 /nfs/dbraw/zinc/98/43/39/529984339.db2.gz SOPUEKVHUQRGKX-TZMCWYRMSA-N 1 0 307.350 1.287 20 5 DDBDRO C[NH+](C)CCc1ccccc1NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000286743406 219141982 /nfs/dbraw/zinc/14/19/82/219141982.db2.gz JEDYFUFQAJFJEG-UHFFFAOYSA-N 1 0 303.322 1.674 20 5 DDBDRO C[N@@H+]1CCC[C@H](CCNC(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000459478464 530060378 /nfs/dbraw/zinc/06/03/78/530060378.db2.gz IROMDBQKDQRXBC-LLVKDONJSA-N 1 0 307.354 1.265 20 5 DDBDRO CCn1ccc(C[N@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000616786190 362818867 /nfs/dbraw/zinc/81/88/67/362818867.db2.gz NXBYJUKGJFPNBT-AWEZNQCLSA-N 1 0 307.354 1.106 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)NCC[N@H+]1CC=CCC1 ZINC000279943607 215257875 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DDBDRO COC(=O)C[C@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090524758 353795100 /nfs/dbraw/zinc/79/51/00/353795100.db2.gz CNGDYGUXHPAYFH-GFCCVEGCSA-N 1 0 323.349 1.174 20 5 DDBDRO C[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000093333664 353895779 /nfs/dbraw/zinc/89/57/79/353895779.db2.gz NDMHONBHJREZFC-FZMZJTMJSA-N 1 0 307.350 1.626 20 5 DDBDRO CCc1nn(C)c(N[C@H]2CCC[N@H+](CCOC)C2)c1[N+](=O)[O-] ZINC000094156438 353911607 /nfs/dbraw/zinc/91/16/07/353911607.db2.gz MQUVWEQQMSKBNE-NSHDSACASA-N 1 0 311.386 1.413 20 5 DDBDRO O=C(CNc1ccccc1[N+](=O)[O-])N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000108307524 353950003 /nfs/dbraw/zinc/95/00/03/353950003.db2.gz FXEWKQXZKNJNNV-ZDUSSCGKSA-N 1 0 318.377 1.607 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)n1 ZINC000332183399 234613800 /nfs/dbraw/zinc/61/38/00/234613800.db2.gz VZENQYBWDKPBHP-LBPRGKRZSA-N 1 0 321.381 1.512 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000139798467 354131448 /nfs/dbraw/zinc/13/14/48/354131448.db2.gz XJGNAWANDAUAML-UHFFFAOYSA-N 1 0 322.413 1.299 20 5 DDBDRO O=C(Cc1ccccc1[N+](=O)[O-])N1CCC[N@@H+](C2CC2)CC1 ZINC000149240344 354172124 /nfs/dbraw/zinc/17/21/24/354172124.db2.gz FMRJKIIQLVIOCC-UHFFFAOYSA-N 1 0 303.362 1.834 20 5 DDBDRO CC(C)OC(=O)C[C@H](NC(=O)CC[NH3+])c1ccccc1[N+](=O)[O-] ZINC000236767939 201999346 /nfs/dbraw/zinc/99/93/46/201999346.db2.gz XGIFFAGAYKIZDR-LBPRGKRZSA-N 1 0 323.349 1.443 20 5 DDBDRO CC[NH2+][C@H](C)CNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000357240085 291028271 /nfs/dbraw/zinc/02/82/71/291028271.db2.gz JAKXUJVMMQCOBQ-LLVKDONJSA-N 1 0 317.349 1.508 20 5 DDBDRO C[N@H+](C[C@H](O)C1CC1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000305708926 354470733 /nfs/dbraw/zinc/47/07/33/354470733.db2.gz FJOOCMTZJGLBQH-GJZGRUSLSA-N 1 0 319.361 1.403 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@@H](C)C[C@H](C)[NH3+])c1C ZINC000320749360 354529335 /nfs/dbraw/zinc/52/93/35/354529335.db2.gz VULVMSUSFONYFG-UWVGGRQHSA-N 1 0 315.395 1.616 20 5 DDBDRO COc1ccc(OCc2nc(C(C)(C)[NH3+])no2)c([N+](=O)[O-])c1 ZINC000314949645 354489404 /nfs/dbraw/zinc/48/94/04/354489404.db2.gz NAFKTJVEADOXAQ-UHFFFAOYSA-N 1 0 308.294 1.759 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000316371388 354502352 /nfs/dbraw/zinc/50/23/52/354502352.db2.gz VGHDIYVSDATMKY-UHFFFAOYSA-N 1 0 300.318 1.831 20 5 DDBDRO CC(C)(C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccs1 ZINC000316651566 354504222 /nfs/dbraw/zinc/50/42/22/354504222.db2.gz WVPWZLCYFXXSOI-GFCCVEGCSA-N 1 0 324.406 1.781 20 5 DDBDRO C[C@@H]1CCCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H]1CC[NH3+] ZINC000404323808 354675964 /nfs/dbraw/zinc/67/59/64/354675964.db2.gz SSAOMUQQOLOUHV-BXUZGUMPSA-N 1 0 320.393 1.643 20 5 DDBDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000584833915 354778096 /nfs/dbraw/zinc/77/80/96/354778096.db2.gz VCTBAJDKIKXBNS-MNOVXSKESA-N 1 0 314.345 1.952 20 5 DDBDRO CCOc1cc(N2CCO[C@H]3CC[N@H+](C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000585783574 354842180 /nfs/dbraw/zinc/84/21/80/354842180.db2.gz BDAHJNKVCRXLMR-CABCVRRESA-N 1 0 321.377 1.903 20 5 DDBDRO C[N@@H+]1CCC[C@@H](N2CCN(c3c(F)cccc3[N+](=O)[O-])CC2)C1 ZINC000587979574 354888973 /nfs/dbraw/zinc/88/89/73/354888973.db2.gz LTMAFOJHUCCGMG-CYBMUJFWSA-N 1 0 322.384 1.950 20 5 DDBDRO O=C(c1ccc([N+](=O)[O-])cc1F)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000588861874 354944507 /nfs/dbraw/zinc/94/45/07/354944507.db2.gz VTYRTBXSUPIVGC-RYUDHWBXSA-N 1 0 323.324 1.015 20 5 DDBDRO COc1cc(C[N@H+](C)C[C@H](O)C2CC2)c([N+](=O)[O-])cc1OC ZINC000589198181 354972858 /nfs/dbraw/zinc/97/28/58/354972858.db2.gz PNVPPHVINKQKKL-ZDUSSCGKSA-N 1 0 310.350 1.815 20 5 DDBDRO CC[N@@H+]1CCN(Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C[C@H]1C ZINC000589497767 354997121 /nfs/dbraw/zinc/99/71/21/354997121.db2.gz APWFZJLGSMQYJC-GFCCVEGCSA-N 1 0 321.377 1.907 20 5 DDBDRO C[N@@H+]1C[C@@H]2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3F)[C@@H]2C1 ZINC000589941442 355033804 /nfs/dbraw/zinc/03/38/04/355033804.db2.gz INYUWYGNPWEOTJ-TVQRCGJNSA-N 1 0 308.313 1.902 20 5 DDBDRO C[C@H]1[C@H]([NH+](C)C)CCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000590589571 355122110 /nfs/dbraw/zinc/12/21/10/355122110.db2.gz PFNTTWIFGWSBMV-GXFFZTMASA-N 1 0 313.379 1.308 20 5 DDBDRO CNc1ccc(C(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000590441579 355095577 /nfs/dbraw/zinc/09/55/77/355095577.db2.gz DAKPKNWYHNDAFA-FZMZJTMJSA-N 1 0 304.350 1.413 20 5 DDBDRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000590753670 355166033 /nfs/dbraw/zinc/16/60/33/355166033.db2.gz TXKQWJNEOBHYBI-KGLIPLIRSA-N 1 0 308.334 1.905 20 5 DDBDRO O=[N+]([O-])c1cc2c(ncnc2N2CC[C@H]3CC[NH2+][C@@H]3C2)s1 ZINC000591439843 355311099 /nfs/dbraw/zinc/31/10/99/355311099.db2.gz YSRKZLGGMKLGGH-PSASIEDQSA-N 1 0 305.363 1.788 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2CCOC3(CCCC3)C2)c1 ZINC000591756002 355378027 /nfs/dbraw/zinc/37/80/27/355378027.db2.gz IKKPGZURRNPYKQ-TZMCWYRMSA-N 1 0 324.381 1.234 20 5 DDBDRO C[C@@H]1CCCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C[NH3+] ZINC000591676236 355359902 /nfs/dbraw/zinc/35/99/02/355359902.db2.gz HHLLSGDLZRTROG-BXKDBHETSA-N 1 0 321.333 1.523 20 5 DDBDRO CN(CC(C)(C)C[NH3+])C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000591677895 355359908 /nfs/dbraw/zinc/35/99/08/355359908.db2.gz XKOQLZSVTPECKA-UHFFFAOYSA-N 1 0 309.322 1.380 20 5 DDBDRO COc1cccc(C(=O)N[C@H]2[C@@H](C)[NH2+]CC[C@@H]2C)c1[N+](=O)[O-] ZINC000591684122 355361631 /nfs/dbraw/zinc/36/16/31/355361631.db2.gz CZHHOWHAKIXUKS-OPQQBVKSSA-N 1 0 307.350 1.720 20 5 DDBDRO CC[C@@H]1CN(C(=O)c2cc(OC)ccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000592333457 355561088 /nfs/dbraw/zinc/56/10/88/355561088.db2.gz ZABSRPIMUYJWCX-ZWNOBZJWSA-N 1 0 307.350 1.803 20 5 DDBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000592217245 355542507 /nfs/dbraw/zinc/54/25/07/355542507.db2.gz CWIXFPNMXWESHD-QWRGUYRKSA-N 1 0 306.366 1.788 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@@H](CCO)c2ccccc2F)n1 ZINC000592160290 355522264 /nfs/dbraw/zinc/52/22/64/355522264.db2.gz ITUZPFGPXNHYQR-ZDUSSCGKSA-N 1 0 308.313 1.644 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CC1(CO)CCC1 ZINC000592430445 355581080 /nfs/dbraw/zinc/58/10/80/355581080.db2.gz PHKSNXAFTNTKRF-GFCCVEGCSA-N 1 0 310.350 1.087 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCCCC[C@H]1O ZINC000592430381 355581368 /nfs/dbraw/zinc/58/13/68/355581368.db2.gz KBNZWOGVNMJCCW-UMVBOHGHSA-N 1 0 324.377 1.618 20 5 DDBDRO COc1cc(CN2CC[C@@H]3CC[NH2+][C@@H]3C2)c([N+](=O)[O-])cc1OC ZINC000592432555 355582069 /nfs/dbraw/zinc/58/20/69/355582069.db2.gz QUQSBAWGMJDQHC-WCQYABFASA-N 1 0 321.377 1.796 20 5 DDBDRO CC(C)[C@H]1CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000592484440 355595346 /nfs/dbraw/zinc/59/53/46/355595346.db2.gz CABWUWWBRDVSBX-OAHLLOKOSA-N 1 0 320.393 1.853 20 5 DDBDRO [NH3+][C@H]1C[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000592382120 355571115 /nfs/dbraw/zinc/57/11/15/355571115.db2.gz KBKPLPSWMWGZDE-KNVOCYPGSA-N 1 0 305.743 1.016 20 5 DDBDRO CC[C@@H]1CN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000592544946 355623406 /nfs/dbraw/zinc/62/34/06/355623406.db2.gz KNFOCADXOGYYNG-OLZOCXBDSA-N 1 0 320.393 1.617 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000592569020 355632476 /nfs/dbraw/zinc/63/24/76/355632476.db2.gz VLPHYZJVORGKSV-GFCCVEGCSA-N 1 0 319.361 1.765 20 5 DDBDRO CCCN(C(=O)c1[nH]nc(CC)c1[N+](=O)[O-])[C@@H]1CC[N@H+](C)C1 ZINC000592830452 355705996 /nfs/dbraw/zinc/70/59/96/355705996.db2.gz FEGSWKWHMNSGHK-SNVBAGLBSA-N 1 0 309.370 1.437 20 5 DDBDRO C[N@@H+]1CCC[C@@H]1CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000593017112 355771117 /nfs/dbraw/zinc/77/11/17/355771117.db2.gz DRUQDWUFQOVUPM-GXTWGEPZSA-N 1 0 305.382 1.570 20 5 DDBDRO CC[C@@H]1C[N@H+](C)CCN1Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000593032354 355775393 /nfs/dbraw/zinc/77/53/93/355775393.db2.gz YVZCVTSPRQAEBC-CQSZACIVSA-N 1 0 321.377 1.907 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1[C@H](C)C[N@H+](C)[C@@H](C)[C@@H]1C ZINC000593187606 355820097 /nfs/dbraw/zinc/82/00/97/355820097.db2.gz MKHPHXODYNUZKI-USWWRNFRSA-N 1 0 306.366 1.851 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1[C@H](C)C[N@H+](C)[C@@H](C)[C@@H]1C ZINC000593188344 355820766 /nfs/dbraw/zinc/82/07/66/355820766.db2.gz DHWAWRGMLVUYSP-WOPDTQHZSA-N 1 0 323.397 1.429 20 5 DDBDRO CC(C)c1ccc(CN2CC([N@@H+]3CC[C@@H](O)C3)C2)cc1[N+](=O)[O-] ZINC000593679043 355964844 /nfs/dbraw/zinc/96/48/44/355964844.db2.gz ABDOTPJSFNPJTG-OAHLLOKOSA-N 1 0 319.405 1.969 20 5 DDBDRO COC(=O)c1cc(NC(=O)[C@@H]2CCC[NH2+]CC2)cc([N+](=O)[O-])c1 ZINC000593902817 356050105 /nfs/dbraw/zinc/05/01/05/356050105.db2.gz XOSWKLGPSWEOQK-SNVBAGLBSA-N 1 0 321.333 1.710 20 5 DDBDRO C[C@H]1CCCN(C(=O)COc2cccc([N+](=O)[O-])c2)[C@@H]1CC[NH3+] ZINC000593917896 356059647 /nfs/dbraw/zinc/05/96/47/356059647.db2.gz ZQCIDJLHBQZFNW-SWLSCSKDSA-N 1 0 321.377 1.950 20 5 DDBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000594431287 356209998 /nfs/dbraw/zinc/20/99/98/356209998.db2.gz KYJQMRCWESOWKF-GDBMZVCRSA-N 1 0 303.362 1.643 20 5 DDBDRO O=[N+]([O-])c1ccc(C[NH2+]C2CCN([C@H]3CCOC3)CC2)cc1 ZINC000594502526 356238638 /nfs/dbraw/zinc/23/86/38/356238638.db2.gz KIIUTQHOMRAUKZ-INIZCTEOSA-N 1 0 305.378 1.938 20 5 DDBDRO COc1ccc(C[NH2+][C@H]2CCc3c(nnn3C)C2)cc1[N+](=O)[O-] ZINC000594515256 356241638 /nfs/dbraw/zinc/24/16/38/356241638.db2.gz LXQWYTYPVOPIDH-NSHDSACASA-N 1 0 317.349 1.379 20 5 DDBDRO Cc1cc(C)cc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000594716746 356294460 /nfs/dbraw/zinc/29/44/60/356294460.db2.gz VEEPBMGMXILNGO-HNNXBMFYSA-N 1 0 304.350 1.559 20 5 DDBDRO C[C@@H](NC(=O)NCC12CC(C1)C[NH2+]2)c1cccc([N+](=O)[O-])c1 ZINC000595263600 356425354 /nfs/dbraw/zinc/42/53/54/356425354.db2.gz GVRWLQQQAOUIEM-RWWNRMGGSA-N 1 0 304.350 1.707 20 5 DDBDRO CS[C@H]1CN(Cc2onc(C)c2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000595403928 356480385 /nfs/dbraw/zinc/48/03/85/356480385.db2.gz NHAPSZBTMISFLL-KOLCDFICSA-N 1 0 300.384 1.369 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)C[C@H](C)C(=O)NC ZINC000081539396 192286478 /nfs/dbraw/zinc/28/64/78/192286478.db2.gz AHEBHBMDOCVIHC-NSHDSACASA-N 1 0 309.366 1.807 20 5 DDBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000595607887 356574649 /nfs/dbraw/zinc/57/46/49/356574649.db2.gz LKGUGIQROIRKRL-LLVKDONJSA-N 1 0 305.313 1.848 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000595608366 356574985 /nfs/dbraw/zinc/57/49/85/356574985.db2.gz OJXSQDBYFBBZJM-LBPRGKRZSA-N 1 0 317.349 1.717 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@@H](CO)C1CCC1 ZINC000595617469 356578970 /nfs/dbraw/zinc/57/89/70/356578970.db2.gz UGGMJDXZIGNABO-STQMWFEESA-N 1 0 310.350 1.085 20 5 DDBDRO C[C@@H]1CCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H]1CCO ZINC000595695903 356611893 /nfs/dbraw/zinc/61/18/93/356611893.db2.gz JBFUFRFUZJUKGA-BXUZGUMPSA-N 1 0 321.377 1.677 20 5 DDBDRO C[C@H]1C[NH+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H](C)C1O ZINC000595745445 356632232 /nfs/dbraw/zinc/63/22/32/356632232.db2.gz TYLNYHFXEJEEMN-UWVGGRQHSA-N 1 0 307.350 1.142 20 5 DDBDRO O=C1CC[C@@H]2C[N@H+](CCOc3cccc([N+](=O)[O-])c3)CC[C@@H]2N1 ZINC000595744231 356632492 /nfs/dbraw/zinc/63/24/92/356632492.db2.gz UUBOYUKBTWJOIP-DOMZBBRYSA-N 1 0 319.361 1.574 20 5 DDBDRO C[C@@H](O)[C@H]1CCC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000595765009 356643403 /nfs/dbraw/zinc/64/34/03/356643403.db2.gz GBQVTPNZQZGZDI-BXUZGUMPSA-N 1 0 319.361 1.329 20 5 DDBDRO O=[N+]([O-])c1ccc(OC2CCN(C[C@H]3C[NH2+]CCO3)CC2)cc1 ZINC000595886666 356691995 /nfs/dbraw/zinc/69/19/95/356691995.db2.gz XXCBFFJEUDUMQH-MRXNPFEDSA-N 1 0 321.377 1.426 20 5 DDBDRO COc1ccc(CN(C)[C@@H](C[NH3+])C(F)(F)F)cc1[N+](=O)[O-] ZINC000595909856 356701631 /nfs/dbraw/zinc/70/16/31/356701631.db2.gz UBQCDYVXFSNZJJ-NSHDSACASA-N 1 0 307.272 1.925 20 5 DDBDRO [NH3+]CC12CC(C1)CN2C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000595944478 356716370 /nfs/dbraw/zinc/71/63/70/356716370.db2.gz YUQRLODZXWJBSS-UHFFFAOYSA-N 1 0 301.302 1.904 20 5 DDBDRO Cc1ccc(C)c(S(=O)(=O)N[C@@]2(C)CC[NH2+]C2)c1[N+](=O)[O-] ZINC000596052217 356753919 /nfs/dbraw/zinc/75/39/19/356753919.db2.gz UVCIMWDUPCNRBY-ZDUSSCGKSA-N 1 0 313.379 1.242 20 5 DDBDRO C[NH+]1CCN(CCCNc2c(Cl)cncc2[N+](=O)[O-])CC1 ZINC000596063113 356758050 /nfs/dbraw/zinc/75/80/50/356758050.db2.gz SEXXPNVIZGEKPG-UHFFFAOYSA-N 1 0 313.789 1.115 20 5 DDBDRO CC[NH+]1CCC(CNc2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000596085623 356767178 /nfs/dbraw/zinc/76/71/78/356767178.db2.gz LGUYTDASYPPYEH-UHFFFAOYSA-N 1 0 306.366 1.838 20 5 DDBDRO C[C@H](CNc1c(Cl)cncc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000596104804 356772512 /nfs/dbraw/zinc/77/25/12/356772512.db2.gz NKWGVFNMWBWDLN-SNVBAGLBSA-N 1 0 313.789 1.113 20 5 DDBDRO CC[NH+](CC)CCO[C@@H]1CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC000596153352 356793399 /nfs/dbraw/zinc/79/33/99/356793399.db2.gz ULPSNRIERMYEIY-GFCCVEGCSA-N 1 0 324.381 1.633 20 5 DDBDRO C[N@H+](Cc1ccccc1)C1CN(c2ccc(N)c([N+](=O)[O-])n2)C1 ZINC000596231172 356825420 /nfs/dbraw/zinc/82/54/20/356825420.db2.gz GVEOVAVXAURPEH-UHFFFAOYSA-N 1 0 313.361 1.893 20 5 DDBDRO C[C@@H](NCc1nc(C[NH3+])cc(=O)[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000596653917 356943364 /nfs/dbraw/zinc/94/33/64/356943364.db2.gz MIRMZTGNCPDWAN-SECBINFHSA-N 1 0 303.322 1.400 20 5 DDBDRO CCC[N@@H+]1CC[C@H](Nc2ncc(C(=O)OC)cc2[N+](=O)[O-])C1 ZINC000596517346 356903141 /nfs/dbraw/zinc/90/31/41/356903141.db2.gz NQNOLCCVRDPQSX-NSHDSACASA-N 1 0 308.338 1.673 20 5 DDBDRO COC(=O)c1ccc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)cc1F ZINC000597063101 357051894 /nfs/dbraw/zinc/05/18/94/357051894.db2.gz NLWHIKOVVPMKEL-UHFFFAOYSA-N 1 0 322.296 1.507 20 5 DDBDRO Cc1ccc(NCCCNC(=O)C2([NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000597281006 357120319 /nfs/dbraw/zinc/12/03/19/357120319.db2.gz AEXAUSJKHXHFJV-UHFFFAOYSA-N 1 0 320.393 1.916 20 5 DDBDRO C[NH+](C)C1(C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)CC1 ZINC000597575379 357234312 /nfs/dbraw/zinc/23/43/12/357234312.db2.gz PLHSFSRESAOETN-UHFFFAOYSA-N 1 0 307.354 1.049 20 5 DDBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000597701599 357292126 /nfs/dbraw/zinc/29/21/26/357292126.db2.gz VBPNOEWTJVDKSX-MWLCHTKSSA-N 1 0 321.333 1.488 20 5 DDBDRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000597701284 357292144 /nfs/dbraw/zinc/29/21/44/357292144.db2.gz SDZZBUAQRQOMQY-CMPLNLGQSA-N 1 0 309.370 1.077 20 5 DDBDRO CN(CC(=O)N1CC(C[NH+](C)C)C1)c1ccccc1[N+](=O)[O-] ZINC000597708972 357296337 /nfs/dbraw/zinc/29/63/37/357296337.db2.gz RWWFFAYRMIXDHQ-UHFFFAOYSA-N 1 0 306.366 1.051 20 5 DDBDRO CCc1n[nH]c(C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)c1[N+](=O)[O-] ZINC000597858576 357360838 /nfs/dbraw/zinc/36/08/38/357360838.db2.gz NMNLIYCAWSXPGD-VIFPVBQESA-N 1 0 309.370 1.483 20 5 DDBDRO COC(=O)c1ccnc(N(C)CC2([NH+](C)C)CCC2)c1[N+](=O)[O-] ZINC000598620173 357656582 /nfs/dbraw/zinc/65/65/82/357656582.db2.gz ZZMZONPILZOSGM-UHFFFAOYSA-N 1 0 322.365 1.697 20 5 DDBDRO C[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@H]1CO ZINC000598645105 357667865 /nfs/dbraw/zinc/66/78/65/357667865.db2.gz DOKXKCKRNLTKSL-RISCZKNCSA-N 1 0 322.361 1.912 20 5 DDBDRO CCOc1ccc(C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)cc1[N+](=O)[O-] ZINC000598670570 357679093 /nfs/dbraw/zinc/67/90/93/357679093.db2.gz UWDMKZMOPITKKZ-BLLLJJGKSA-N 1 0 319.361 1.947 20 5 DDBDRO [NH3+][C@@]12CCC[C@@H]1CN(C(=O)COc1cccc([N+](=O)[O-])c1)C2 ZINC000598669984 357679149 /nfs/dbraw/zinc/67/91/49/357679149.db2.gz PDYGIIXMCYOUTQ-IAQYHMDHSA-N 1 0 305.334 1.313 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000598682519 357685062 /nfs/dbraw/zinc/68/50/62/357685062.db2.gz OATIFWGITWVQOJ-WBMJQRKESA-N 1 0 318.377 1.655 20 5 DDBDRO COc1ccc(OCCN2C[C@@H]3CCC[C@]3([NH3+])C2)c([N+](=O)[O-])c1 ZINC000598681746 357685299 /nfs/dbraw/zinc/68/52/99/357685299.db2.gz JIJPDRJQEQHHBW-LRDDRELGSA-N 1 0 321.377 1.795 20 5 DDBDRO Cc1ccc(S(=O)(=O)NC2CC[NH2+]CC2)c(C)c1[N+](=O)[O-] ZINC000598716210 357701577 /nfs/dbraw/zinc/70/15/77/357701577.db2.gz AMHLCZNTFRYFHE-UHFFFAOYSA-N 1 0 313.379 1.242 20 5 DDBDRO Cc1ccc(S(=O)(=O)N2CC[C@H](C[NH3+])C2)c(C)c1[N+](=O)[O-] ZINC000598716524 357701747 /nfs/dbraw/zinc/70/17/47/357701747.db2.gz LTEJHIBWEHBMFM-LLVKDONJSA-N 1 0 313.379 1.181 20 5 DDBDRO [NH3+][C@]12CCC[C@@H]1CN(S(=O)(=O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000598717978 357702457 /nfs/dbraw/zinc/70/24/57/357702457.db2.gz APNQDUVEUAOTFN-MFKMUULPSA-N 1 0 311.363 1.097 20 5 DDBDRO CCC(CC)(C[NH3+])NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598915781 357757529 /nfs/dbraw/zinc/75/75/29/357757529.db2.gz OPXLTMGTGQDPKH-UHFFFAOYSA-N 1 0 308.338 1.167 20 5 DDBDRO CC[C@@H]1[NH2+]CC[C@H]1NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000599100580 357815965 /nfs/dbraw/zinc/81/59/65/357815965.db2.gz JYOXNKPZZUNZFO-NWDGAFQWSA-N 1 0 313.379 1.322 20 5 DDBDRO NC(=O)[C@H]1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000599002448 357789589 /nfs/dbraw/zinc/78/95/89/357789589.db2.gz AXZCSYJKYKXJKM-XWEPSHTISA-N 1 0 315.276 1.550 20 5 DDBDRO COC(=O)[C@]1(OC)CC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000599564075 357974543 /nfs/dbraw/zinc/97/45/43/357974543.db2.gz QCSUDTGDOJMBRO-ABAIWWIYSA-N 1 0 308.334 1.920 20 5 DDBDRO C[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)CC1(C)COC1 ZINC000599574056 357980331 /nfs/dbraw/zinc/98/03/31/357980331.db2.gz NDXJBNHZDCHPBR-ZDUSSCGKSA-N 1 0 310.350 1.303 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCC1([NH3+])CCOCC1 ZINC000599588866 357984933 /nfs/dbraw/zinc/98/49/33/357984933.db2.gz QAGPLPRELRYGPB-UHFFFAOYSA-N 1 0 308.338 1.533 20 5 DDBDRO C[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C[C@H]1C[C@@H](O)C1 ZINC000599656518 358010563 /nfs/dbraw/zinc/01/05/63/358010563.db2.gz WVKJTTZAQPJSNC-XQQFMLRXSA-N 1 0 310.350 1.037 20 5 DDBDRO C[NH2+]CCOCCN(C)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000599920890 358081815 /nfs/dbraw/zinc/08/18/15/358081815.db2.gz VRJTUWHSZKCSMP-UHFFFAOYSA-N 1 0 324.381 1.015 20 5 DDBDRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000599932843 358084492 /nfs/dbraw/zinc/08/44/92/358084492.db2.gz CNHOVTLBMMBZNM-QWHCGFSZSA-N 1 0 306.366 1.877 20 5 DDBDRO C[C@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C)c1ccc([N+](=O)[O-])cc1F ZINC000599991496 358097980 /nfs/dbraw/zinc/09/79/80/358097980.db2.gz IBRWMNGHHLUFHI-GCVYGYKWSA-N 1 0 321.352 1.856 20 5 DDBDRO C[N@@H+]1CCCC[C@@H](CNC(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000600315511 358194304 /nfs/dbraw/zinc/19/43/04/358194304.db2.gz ULSKKJRMNYOBSY-NSHDSACASA-N 1 0 306.366 1.639 20 5 DDBDRO CC1(C)CCC[C@@H]1CC[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000600747483 358306034 /nfs/dbraw/zinc/30/60/34/358306034.db2.gz XPLMXDSGTJENLD-OCCSQVGLSA-N 1 0 310.398 1.958 20 5 DDBDRO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CCC[C@@H]([NH+](C)C)C1 ZINC000601110990 358406623 /nfs/dbraw/zinc/40/66/23/358406623.db2.gz NJDBPZGSKYTJGQ-MRVPVSSYSA-N 1 0 321.303 1.878 20 5 DDBDRO COCC[N@@H+]1CC[C@H](NC(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000601125505 358412366 /nfs/dbraw/zinc/41/23/66/358412366.db2.gz NOIFZAXJHDYEJY-JTQLQIEISA-N 1 0 311.313 1.184 20 5 DDBDRO Cc1cc(S(=O)(=O)NCC[N@@H+](C)C(C)C)c([N+](=O)[O-])s1 ZINC000601400205 358536103 /nfs/dbraw/zinc/53/61/03/358536103.db2.gz WHPWPSNTHUPPFT-UHFFFAOYSA-N 1 0 321.424 1.583 20 5 DDBDRO Cc1c(C[NH2+]C[C@@H](O)C[C@](C)(O)C2CC2)cccc1[N+](=O)[O-] ZINC000601963272 358755030 /nfs/dbraw/zinc/75/50/30/358755030.db2.gz DYWDRYMLMCEFFW-HOCLYGCPSA-N 1 0 308.378 1.905 20 5 DDBDRO C[C@](O)(C[C@H](O)C[NH2+]CCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000601964614 358755966 /nfs/dbraw/zinc/75/59/66/358755966.db2.gz JGKZOVOTVCSMMP-HOCLYGCPSA-N 1 0 308.378 1.639 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]Cc2cccc(F)c2F)c1 ZINC000601969344 358758576 /nfs/dbraw/zinc/75/85/76/358758576.db2.gz QJTZLAKXJNHMHP-LLVKDONJSA-N 1 0 312.276 1.220 20 5 DDBDRO CC[N@H+](CCO)CCNC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000185484107 199857637 /nfs/dbraw/zinc/85/76/37/199857637.db2.gz KIFLCEUNJCVUPF-UHFFFAOYSA-N 1 0 324.381 1.647 20 5 DDBDRO CO[C@H](C)CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602532649 359031208 /nfs/dbraw/zinc/03/12/08/359031208.db2.gz ZJZCNOCVWAMOEA-GFCCVEGCSA-N 1 0 308.382 1.973 20 5 DDBDRO Cn1cc(CCC[NH2+]CCOc2ccc([N+](=O)[O-])cc2)cn1 ZINC000602541631 359035072 /nfs/dbraw/zinc/03/50/72/359035072.db2.gz YDJGRFKSQAGUIZ-UHFFFAOYSA-N 1 0 304.350 1.930 20 5 DDBDRO COc1cc(C[C@H](C)[NH2+]CCn2cc([N+](=O)[O-])cn2)ccn1 ZINC000602570440 359049838 /nfs/dbraw/zinc/04/98/38/359049838.db2.gz VBJUNDRLLFPENW-NSHDSACASA-N 1 0 305.338 1.416 20 5 DDBDRO C[NH2+]CCOCCN(C)C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000602544283 359036584 /nfs/dbraw/zinc/03/65/84/359036584.db2.gz HHMOTBSSPYYIFA-UHFFFAOYSA-N 1 0 315.757 1.556 20 5 DDBDRO CN(CCOCC[NH3+])C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000602559756 359044939 /nfs/dbraw/zinc/04/49/39/359044939.db2.gz QKYQFPTVPZZQSI-UHFFFAOYSA-N 1 0 323.374 1.857 20 5 DDBDRO C[NH2+]CCOCCNC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000602561458 359046034 /nfs/dbraw/zinc/04/60/34/359046034.db2.gz GUUBKFXIXLHQQD-UHFFFAOYSA-N 1 0 309.366 1.684 20 5 DDBDRO [NH3+][C@H]1CC=C(C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000602476826 359003786 /nfs/dbraw/zinc/00/37/86/359003786.db2.gz WUHOXABAXGDTHW-ZDUSSCGKSA-N 1 0 316.361 1.291 20 5 DDBDRO Cn1cc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c([N+](=O)[O-])n1 ZINC000602484126 359009808 /nfs/dbraw/zinc/00/98/08/359009808.db2.gz HPIFYHOSWNSOLR-DOMZBBRYSA-N 1 0 319.409 1.777 20 5 DDBDRO COC[C@]1(C(=O)NCc2cccc([N+](=O)[O-])c2C)CCCC[NH2+]1 ZINC000602498765 359015635 /nfs/dbraw/zinc/01/56/35/359015635.db2.gz KRTZQTWRDBTBLW-INIZCTEOSA-N 1 0 321.377 1.678 20 5 DDBDRO C/C=C/C[C@@H](CO)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602620054 359078900 /nfs/dbraw/zinc/07/89/00/359078900.db2.gz SOWYUDOGMFTRKA-HSWBROFVSA-N 1 0 320.393 1.875 20 5 DDBDRO C[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C(=O)N(C)C ZINC000602587471 359057751 /nfs/dbraw/zinc/05/77/51/359057751.db2.gz HPIYWNAXMMEQHE-LLVKDONJSA-N 1 0 321.381 1.025 20 5 DDBDRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1CCc1ccc([N+](=O)[O-])cc1 ZINC000602696282 359132224 /nfs/dbraw/zinc/13/22/24/359132224.db2.gz KUWLCXOCSFBDJG-CYBMUJFWSA-N 1 0 320.393 1.189 20 5 DDBDRO CO[C@@]1(C)C[C@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602720309 359148148 /nfs/dbraw/zinc/14/81/48/359148148.db2.gz BDAVKEDLKIBYMU-HIFRSBDPSA-N 1 0 306.366 1.726 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]Cc3ncc[nH]3)CC2)cn1 ZINC000602731606 359154012 /nfs/dbraw/zinc/15/40/12/359154012.db2.gz OBGLQFSJMNTUHM-UHFFFAOYSA-N 1 0 302.338 1.472 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCOCC2(CCOCC2)C1 ZINC000602807884 359204478 /nfs/dbraw/zinc/20/44/78/359204478.db2.gz XBPSVEMIRYUSCC-UHFFFAOYSA-N 1 0 324.381 1.229 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CCN1CC[N@@H+](C)[C@@H](C(C)(C)C)C1 ZINC000602873306 359256930 /nfs/dbraw/zinc/25/69/30/359256930.db2.gz IVTBKGYKECRNED-CYBMUJFWSA-N 1 0 309.414 1.762 20 5 DDBDRO Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+]Cc2cn(C)nc2[N+](=O)[O-])cn1 ZINC000602894405 359278124 /nfs/dbraw/zinc/27/81/24/359278124.db2.gz GMXZYSMTSRUUJT-JSGCOSHPSA-N 1 0 318.381 1.563 20 5 DDBDRO C[N@@H+]1CCC[C@@H]1CCN[C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602963067 359326067 /nfs/dbraw/zinc/32/60/67/359326067.db2.gz SUXQZCXHFSPJPB-GDBMZVCRSA-N 1 0 307.394 1.876 20 5 DDBDRO O=[N+]([O-])c1cccc(F)c1Cn1cc(C2CC[NH2+]CC2)nn1 ZINC000603201943 359476998 /nfs/dbraw/zinc/47/69/98/359476998.db2.gz IXNLWMFDHSKJFU-UHFFFAOYSA-N 1 0 305.313 1.841 20 5 DDBDRO CCO[C@H]1C[C@@]([NH3+])(C(=O)NCc2ccccc2[N+](=O)[O-])C1(C)C ZINC000186736566 200000104 /nfs/dbraw/zinc/00/01/04/200000104.db2.gz SBUYMKNSCYIPBS-XJKSGUPXSA-N 1 0 321.377 1.744 20 5 DDBDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000186766411 200005963 /nfs/dbraw/zinc/00/59/63/200005963.db2.gz HFBXFUUYFWPKBJ-PRHODGIISA-N 1 0 303.322 1.199 20 5 DDBDRO C[C@]1(C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CC[NH2+]C1 ZINC000237530767 202273563 /nfs/dbraw/zinc/27/35/63/202273563.db2.gz GHODTINGRITZGG-INIZCTEOSA-N 1 0 318.377 1.243 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2CC[N@@H+](C(C)C)C2)n1 ZINC000281072516 216061230 /nfs/dbraw/zinc/06/12/30/216061230.db2.gz AQDHWBWORIBIPL-JTQLQIEISA-N 1 0 308.338 1.671 20 5 DDBDRO CN1CCC[C@@H]([NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000604532824 359761927 /nfs/dbraw/zinc/76/19/27/359761927.db2.gz NPZHTUREJKGCAC-GFCCVEGCSA-N 1 0 307.350 1.550 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H](CC(N)=O)C1CCCCC1 ZINC000348370332 283485678 /nfs/dbraw/zinc/48/56/78/283485678.db2.gz VQECSNJJOIQEQN-NSHDSACASA-N 1 0 309.370 1.242 20 5 DDBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188533381 200262377 /nfs/dbraw/zinc/26/23/77/200262377.db2.gz FZFPIAWAWNXTIR-GXTWGEPZSA-N 1 0 309.341 1.734 20 5 DDBDRO C[NH+](C)CCCNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000608990109 360256570 /nfs/dbraw/zinc/25/65/70/360256570.db2.gz FDOJMUSFBZLJDR-UHFFFAOYSA-N 1 0 309.322 1.048 20 5 DDBDRO CC(C)[NH2+][C@@H]1CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000609135613 360264126 /nfs/dbraw/zinc/26/41/26/360264126.db2.gz TWQOWZUMKITEOH-LLVKDONJSA-N 1 0 324.356 1.919 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1NCC1([NH+]2CCCC2)CCOCC1 ZINC000609192772 360271161 /nfs/dbraw/zinc/27/11/61/360271161.db2.gz KECSHARBWAAPJZ-UHFFFAOYSA-N 1 0 309.370 1.385 20 5 DDBDRO CC(C)[NH2+][C@H]1CCCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000609595536 360330818 /nfs/dbraw/zinc/33/08/18/360330818.db2.gz MZJXLHMAJQSHMI-LBPRGKRZSA-N 1 0 306.366 1.661 20 5 DDBDRO CNC(=O)[C@@]1(C)CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000281208478 216154008 /nfs/dbraw/zinc/15/40/08/216154008.db2.gz SHYKSTFTRNIZQO-HNNXBMFYSA-N 1 0 307.350 1.432 20 5 DDBDRO CCCc1n[nH]c(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)c1[N+](=O)[O-] ZINC000609478983 360311231 /nfs/dbraw/zinc/31/12/31/360311231.db2.gz AHTAGLBHKYBWAI-LLVKDONJSA-N 1 0 321.381 1.485 20 5 DDBDRO COCC[N@@H+]1CCC[C@@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000610239877 360395439 /nfs/dbraw/zinc/39/54/39/360395439.db2.gz AQMAGFYUVPQLAH-CQSZACIVSA-N 1 0 321.377 1.364 20 5 DDBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]C3(CO)CCOCC3)nc2c1 ZINC000610582019 360476009 /nfs/dbraw/zinc/47/60/09/360476009.db2.gz IVIQIFWQABELHX-UHFFFAOYSA-N 1 0 307.306 1.367 20 5 DDBDRO CC[N@@H+]1CCN(c2ccc(C(=O)NC)cc2[N+](=O)[O-])C[C@@H]1C ZINC000611084577 360617662 /nfs/dbraw/zinc/61/76/62/360617662.db2.gz FMRQNGCXOFELML-NSHDSACASA-N 1 0 306.366 1.485 20 5 DDBDRO Cn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)n1 ZINC000611335230 360700727 /nfs/dbraw/zinc/70/07/27/360700727.db2.gz HHVCQTBMGOXSFW-GFCCVEGCSA-N 1 0 321.381 1.132 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@@H](C(F)F)C1 ZINC000612110344 360923378 /nfs/dbraw/zinc/92/33/78/360923378.db2.gz DLVXILPDBGJFGS-MNOVXSKESA-N 1 0 316.304 1.922 20 5 DDBDRO CC[N@@H+]1CCN(C(=O)COc2ccc([N+](=O)[O-])c(C)c2)C[C@@H]1C ZINC000619537148 364052579 /nfs/dbraw/zinc/05/25/79/364052579.db2.gz ZGUXZJMKMIUAGR-ZDUSSCGKSA-N 1 0 321.377 1.835 20 5 DDBDRO CN(CCC[NH+]1CCCC1)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000281664331 216456007 /nfs/dbraw/zinc/45/60/07/216456007.db2.gz JFWGDJXINNQRRB-UHFFFAOYSA-N 1 0 306.366 1.735 20 5 DDBDRO COCC[NH+]1CCC(NC(=O)c2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000359160478 299343209 /nfs/dbraw/zinc/34/32/09/299343209.db2.gz NKBAXKUWSDBWQS-UHFFFAOYSA-N 1 0 321.377 1.744 20 5 DDBDRO COC(=O)[C@@H](O)C1CC[NH+](Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000092014725 193141789 /nfs/dbraw/zinc/14/17/89/193141789.db2.gz VEFARGSKHKMQLX-HNNXBMFYSA-N 1 0 322.361 1.649 20 5 DDBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCC(=O)NC2)cc1[N+](=O)[O-] ZINC000349206367 283873937 /nfs/dbraw/zinc/87/39/37/283873937.db2.gz ACIQIVNYTDENKS-CMPLNLGQSA-N 1 0 307.350 1.923 20 5 DDBDRO CCc1ccc(C(=O)N2CC[C@@H](OC)C[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000359217756 299360857 /nfs/dbraw/zinc/36/08/57/299360857.db2.gz OIJJRQQAVBIGTD-UONOGXRCSA-N 1 0 321.377 1.736 20 5 DDBDRO O=[N+]([O-])c1cccc(OCCN2CC[NH2+]C[C@@H]2C(F)F)c1 ZINC000566242496 304132266 /nfs/dbraw/zinc/13/22/66/304132266.db2.gz TZUGSNZVLGDAPZ-GFCCVEGCSA-N 1 0 301.293 1.513 20 5 DDBDRO COc1cc(C(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000261627484 203083313 /nfs/dbraw/zinc/08/33/13/203083313.db2.gz BQYNADKYPOQTPC-MWLCHTKSSA-N 1 0 323.349 1.421 20 5 DDBDRO C[NH2+][C@H](C)CNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000261833390 203128991 /nfs/dbraw/zinc/12/89/91/203128991.db2.gz VNPVLOJFXGTOIQ-MRVPVSSYSA-N 1 0 304.306 1.186 20 5 DDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@@H](C)[NH2+]C)cc1OC ZINC000261854471 203134922 /nfs/dbraw/zinc/13/49/22/203134922.db2.gz XRPLBVOOCFCKCV-SECBINFHSA-N 1 0 311.338 1.340 20 5 DDBDRO COc1cc(C(=O)N2CC[C@@H](C)C[C@@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000262514324 203315497 /nfs/dbraw/zinc/31/54/97/203315497.db2.gz NFHBLRSAPHUTAX-ZYHUDNBSSA-N 1 0 307.350 1.803 20 5 DDBDRO Cc1cc(C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)c(N)c([N+](=O)[O-])c1 ZINC000262587629 203340751 /nfs/dbraw/zinc/34/07/51/203340751.db2.gz PLEQMHYQXILQQM-MNOVXSKESA-N 1 0 306.366 1.685 20 5 DDBDRO CCC[C@@](C)([NH3+])C(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000262636046 203360670 /nfs/dbraw/zinc/36/06/70/203360670.db2.gz ZKTBCIIGIPYFTD-CQSZACIVSA-N 1 0 309.322 1.837 20 5 DDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000262728066 203394396 /nfs/dbraw/zinc/39/43/96/203394396.db2.gz HQXVCSZVVPXEPE-CYBMUJFWSA-N 1 0 315.333 1.968 20 5 DDBDRO CN(CCCN1CC[NH+](C)CC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000264676932 204071107 /nfs/dbraw/zinc/07/11/07/204071107.db2.gz VXTIUBJNHBKXFC-UHFFFAOYSA-N 1 0 310.373 1.808 20 5 DDBDRO CCOC[C@H](O)C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000264948041 204293890 /nfs/dbraw/zinc/29/38/90/204293890.db2.gz ASCIYOLJLPGLPK-OAHLLOKOSA-N 1 0 309.366 1.114 20 5 DDBDRO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000282938857 217339326 /nfs/dbraw/zinc/33/93/26/217339326.db2.gz SQUJCOJJHNTABV-GFCCVEGCSA-N 1 0 322.365 1.107 20 5 DDBDRO [NH3+]CCCNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000160065687 197383777 /nfs/dbraw/zinc/38/37/77/197383777.db2.gz NUVHJWNZDGSXRJ-UHFFFAOYSA-N 1 0 316.155 1.365 20 5 DDBDRO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000331784689 296210371 /nfs/dbraw/zinc/21/03/71/296210371.db2.gz FDYNBKKMDNJHFT-NWDGAFQWSA-N 1 0 311.725 1.061 20 5 DDBDRO COc1cc(CN2CC[NH+](C3CC3)CC2)c([N+](=O)[O-])cc1OC ZINC000127913028 248280067 /nfs/dbraw/zinc/28/00/67/248280067.db2.gz ZDJDDAAQYJFJRB-UHFFFAOYSA-N 1 0 321.377 1.892 20 5 DDBDRO COc1cccc(C(=O)N[C@H]2CC[C@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000334092169 249211765 /nfs/dbraw/zinc/21/17/65/249211765.db2.gz XVVSTYQMDOMBCF-QWRGUYRKSA-N 1 0 307.350 1.816 20 5 DDBDRO Cc1c(NC(=O)CC[NH2+][C@@H](C)[C@H](C)CO)cccc1[N+](=O)[O-] ZINC000274011438 211267623 /nfs/dbraw/zinc/26/76/23/211267623.db2.gz LTSOIKJFOVKJKP-PWSUYJOCSA-N 1 0 309.366 1.838 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](C)[C@@H](C)CO ZINC000274007800 211265132 /nfs/dbraw/zinc/26/51/32/211265132.db2.gz LIYLIEYESVYSNE-RYUDHWBXSA-N 1 0 309.366 1.838 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(NCC2CC[NH+](CCO)CC2)c1 ZINC000338666613 250082694 /nfs/dbraw/zinc/08/26/94/250082694.db2.gz HZPIASVQSMRRMM-UHFFFAOYSA-N 1 0 309.366 1.720 20 5 DDBDRO O=[N+]([O-])c1cccc(OCC[NH2+][C@@H](CO)[C@H]2CCCOC2)c1 ZINC000411984344 223938643 /nfs/dbraw/zinc/93/86/43/223938643.db2.gz CPXPDSGMFVGGQS-WFASDCNBSA-N 1 0 310.350 1.351 20 5 DDBDRO C[C@H]1C[C@@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000341009063 251333728 /nfs/dbraw/zinc/33/37/28/251333728.db2.gz AHJGRHFAVIKMMT-AAEUAGOBSA-N 1 0 306.366 1.877 20 5 DDBDRO CC[C@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000341024818 251345251 /nfs/dbraw/zinc/34/52/51/251345251.db2.gz HZPCLTBPOYNTOT-FZMZJTMJSA-N 1 0 307.350 1.626 20 5 DDBDRO CCCc1n[nH]c(C(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)c1[N+](=O)[O-] ZINC000269213844 207333094 /nfs/dbraw/zinc/33/30/94/207333094.db2.gz QFEGMSBOBUZNAP-NXEZZACHSA-N 1 0 309.370 1.388 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@@H]1CN2CCC1CC2 ZINC001120480804 781973971 /nfs/dbraw/zinc/97/39/71/781973971.db2.gz DTEJDTVXYSJXLR-UONOGXRCSA-N 1 0 321.377 1.018 20 5 DDBDRO O=[N+]([O-])c1c(N2CC[C@H]([NH+]3CC=CC3)C2)nc2sccn21 ZINC000266280187 285077696 /nfs/dbraw/zinc/07/76/96/285077696.db2.gz TVXVWPHEZOIZOI-JTQLQIEISA-N 1 0 305.363 1.755 20 5 DDBDRO Cc1nn(CCC(=O)N2CC[C@@]3(CC[NH2+]C3)C2)c(C)c1[N+](=O)[O-] ZINC000159089050 197325635 /nfs/dbraw/zinc/32/56/35/197325635.db2.gz YBFWVCRNGHOIJG-OAHLLOKOSA-N 1 0 321.381 1.010 20 5 DDBDRO C[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C[C@@H]1CCCCO1 ZINC000272969443 210352423 /nfs/dbraw/zinc/35/24/23/210352423.db2.gz BETPXVWPUCPMJR-KBPBESRZSA-N 1 0 324.377 1.835 20 5 DDBDRO C[C@H](CNC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)[NH+](C)C ZINC000272952904 210339624 /nfs/dbraw/zinc/33/96/24/210339624.db2.gz GNPQYVYEJOCMMC-QMTHXVAHSA-N 1 0 320.349 1.154 20 5 DDBDRO COc1cc(C[N@@H+]2CCC[C@H](CC(N)=O)C2)ccc1[N+](=O)[O-] ZINC000352541498 285127782 /nfs/dbraw/zinc/12/77/82/285127782.db2.gz YNGFMXZCKXMYHB-LLVKDONJSA-N 1 0 307.350 1.691 20 5 DDBDRO CC(C)(C)OC(=O)[C@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000156764825 197138624 /nfs/dbraw/zinc/13/86/24/197138624.db2.gz DMQOJWQXFFRMFD-LBPRGKRZSA-N 1 0 324.381 1.845 20 5 DDBDRO CCCc1n[nH]c(C(=O)NC[C@@H]2CC[N@H+](CC)C2)c1[N+](=O)[O-] ZINC000156765701 197139169 /nfs/dbraw/zinc/13/91/69/197139169.db2.gz QLIJATHJUDVXAK-JTQLQIEISA-N 1 0 309.370 1.342 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@@H]1CCC[C@@H]1O ZINC000352687913 285228298 /nfs/dbraw/zinc/22/82/98/285228298.db2.gz ACFUCHFWQHXUSX-OLZOCXBDSA-N 1 0 323.349 1.387 20 5 DDBDRO C[NH2+]CCN(C)C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000120545239 195187494 /nfs/dbraw/zinc/18/74/94/195187494.db2.gz KDFDDBVHLDLNAK-UHFFFAOYSA-N 1 0 303.322 1.072 20 5 DDBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000352798022 285307732 /nfs/dbraw/zinc/30/77/32/285307732.db2.gz WYQUJYBNQKUMCP-CHWSQXEVSA-N 1 0 321.377 1.915 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000289655733 221132340 /nfs/dbraw/zinc/13/23/40/221132340.db2.gz IKDURNUBGOSGNC-WDEREUQCSA-N 1 0 305.334 1.285 20 5 DDBDRO Cc1nn(C)c(C(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000352869379 285348169 /nfs/dbraw/zinc/34/81/69/285348169.db2.gz WJXRSTUEQCBWKN-QWRGUYRKSA-N 1 0 323.397 1.629 20 5 DDBDRO C[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000120975298 195274636 /nfs/dbraw/zinc/27/46/36/195274636.db2.gz RMAAPHIAMKMFMI-UHFFFAOYSA-N 1 0 314.345 1.967 20 5 DDBDRO COc1cc(C(=O)NC[C@H]2CCC[N@@H+]2C)c([N+](=O)[O-])cc1F ZINC000294869977 533539037 /nfs/dbraw/zinc/53/90/37/533539037.db2.gz BVXZDLKSWYBXOS-SECBINFHSA-N 1 0 311.313 1.567 20 5 DDBDRO COc1ccc(CNC(=O)NCC[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000417192353 533611617 /nfs/dbraw/zinc/61/16/17/533611617.db2.gz KESBTSNBYJCBBA-GFCCVEGCSA-N 1 0 322.365 1.545 20 5 DDBDRO COc1ccc(CNC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000417198271 533627104 /nfs/dbraw/zinc/62/71/04/533627104.db2.gz QXNIPYONECKWID-NWDGAFQWSA-N 1 0 322.365 1.673 20 5 DDBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000568512662 304297012 /nfs/dbraw/zinc/29/70/12/304297012.db2.gz BVZGEKIYWNXMNC-GHMZBOCLSA-N 1 0 317.349 1.636 20 5 DDBDRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000417233833 533673584 /nfs/dbraw/zinc/67/35/84/533673584.db2.gz OPMUQGYAQKRUOZ-SMDDNHRTSA-N 1 0 306.366 1.435 20 5 DDBDRO CCOC[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447538287 286174603 /nfs/dbraw/zinc/17/46/03/286174603.db2.gz BJDJPHWZMKHFNL-JHJVBQTASA-N 1 0 312.370 1.262 20 5 DDBDRO CC(C)[NH2+]CCCNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000569578531 304365645 /nfs/dbraw/zinc/36/56/45/304365645.db2.gz VWLVRGMULKHMOB-UHFFFAOYSA-N 1 0 308.382 1.825 20 5 DDBDRO C[C@@H]1CC[NH2+][C@H](C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000570035722 304391197 /nfs/dbraw/zinc/39/11/97/304391197.db2.gz OLLAPTWTLWHMSI-RISCZKNCSA-N 1 0 307.350 1.478 20 5 DDBDRO COc1cccc(C(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)c1[N+](=O)[O-] ZINC000422847502 286440573 /nfs/dbraw/zinc/44/05/73/286440573.db2.gz RLVAXRVAZLOMTR-WDEREUQCSA-N 1 0 307.350 1.803 20 5 DDBDRO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1F)N1CC[NH+](C)CC1 ZINC000114384887 407565802 /nfs/dbraw/zinc/56/58/02/407565802.db2.gz AFTMOMGFCZQXCR-NSHDSACASA-N 1 0 324.356 1.100 20 5 DDBDRO Cc1cccc(C[N@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000266575922 407567250 /nfs/dbraw/zinc/56/72/50/407567250.db2.gz LWRSROHMIWCUHC-HNNXBMFYSA-N 1 0 304.350 1.593 20 5 DDBDRO Nc1c(C(=O)N[C@H]2C[C@H]2C2CC[NH2+]CC2)cc(F)cc1[N+](=O)[O-] ZINC000361082104 299799416 /nfs/dbraw/zinc/79/94/16/299799416.db2.gz UIOBKXOYLDJSNN-JQWIXIFHSA-N 1 0 322.340 1.434 20 5 DDBDRO COc1cc(C(=O)N[C@@H]2C[C@@H]2C2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000361097897 299801427 /nfs/dbraw/zinc/80/14/27/299801427.db2.gz QTJQFQQDGWETBK-CHWSQXEVSA-N 1 0 319.361 1.721 20 5 DDBDRO [NH3+][C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000019231721 406884966 /nfs/dbraw/zinc/88/49/66/406884966.db2.gz MLKHAANEDBUBFV-MRVPVSSYSA-N 1 0 319.770 1.360 20 5 DDBDRO CC(C)[NH+]1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000027419245 406910100 /nfs/dbraw/zinc/91/01/00/406910100.db2.gz HKBNURIPWCIZBK-UHFFFAOYSA-N 1 0 306.366 1.559 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+](Cc2cccs2)C2CC2)c1 ZINC000075597178 406935616 /nfs/dbraw/zinc/93/56/16/406935616.db2.gz VWJMOCYLQUUBMO-ZDUSSCGKSA-N 1 0 322.390 1.878 20 5 DDBDRO C[NH+]1CCC(NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000078473415 407029860 /nfs/dbraw/zinc/02/98/60/407029860.db2.gz JMAMFYNCJUEJIX-UHFFFAOYSA-N 1 0 320.393 1.997 20 5 DDBDRO C[NH+]1CCC(NC(=O)NCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000041488232 407007258 /nfs/dbraw/zinc/00/72/58/407007258.db2.gz XMUHIABXJPHNDU-UHFFFAOYSA-N 1 0 321.381 1.400 20 5 DDBDRO C[NH+](C)Cc1cccc(NC(=O)Cn2ccc([N+](=O)[O-])n2)c1 ZINC000052674908 407155498 /nfs/dbraw/zinc/15/54/98/407155498.db2.gz YSGPPUXFAZLNDA-UHFFFAOYSA-N 1 0 303.322 1.492 20 5 DDBDRO CC(C)CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C1CC[NH+](C)CC1 ZINC000053231212 407165844 /nfs/dbraw/zinc/16/58/44/407165844.db2.gz NVGYLDVUNJDCCP-UHFFFAOYSA-N 1 0 323.397 1.370 20 5 DDBDRO COc1ccc(C[NH2+][C@H](C)CC[S@](C)=O)cc1[N+](=O)[O-] ZINC000125569927 407392119 /nfs/dbraw/zinc/39/21/19/407392119.db2.gz BBMJNFKHTOZSKP-CFMSYZGJSA-N 1 0 300.380 1.850 20 5 DDBDRO C[NH+](C)C(C)(C)CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000125900424 407400557 /nfs/dbraw/zinc/40/05/57/407400557.db2.gz MMZHLPWIWVYRAN-UHFFFAOYSA-N 1 0 321.424 1.812 20 5 DDBDRO NC(=O)N1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000111688620 407414857 /nfs/dbraw/zinc/41/48/57/407414857.db2.gz ABXYLKAWRDLILG-UHFFFAOYSA-N 1 0 308.338 1.060 20 5 DDBDRO O=C(N[C@H]1CC[NH2+]C1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000127886879 407475276 /nfs/dbraw/zinc/47/52/76/407475276.db2.gz XGDRPVSXWVSNEH-JTQLQIEISA-N 1 0 318.358 1.810 20 5 DDBDRO CC[NH2+]Cc1ccccc1NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000178433200 407453967 /nfs/dbraw/zinc/45/39/67/407453967.db2.gz STQHXQSXMKOTNL-UHFFFAOYSA-N 1 0 303.322 1.540 20 5 DDBDRO C[NH2+][C@H](C)Cc1noc(-c2cc3c(cc2[N+](=O)[O-])OCCO3)n1 ZINC000261627511 407556840 /nfs/dbraw/zinc/55/68/40/407556840.db2.gz CFKNBMAJJQUCIE-MRVPVSSYSA-N 1 0 320.305 1.566 20 5 DDBDRO Cc1c(CN2CC[NH2+]C[C@@H]2c2nccn2C)cccc1[N+](=O)[O-] ZINC000261665613 407573290 /nfs/dbraw/zinc/57/32/90/407573290.db2.gz BJJSLQQJLSWCIE-OAHLLOKOSA-N 1 0 315.377 1.783 20 5 DDBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C[C@H]1CCOC1 ZINC000178757917 407586317 /nfs/dbraw/zinc/58/63/17/407586317.db2.gz MEWPYDQYFFDQGS-GFCCVEGCSA-N 1 0 307.350 1.892 20 5 DDBDRO C[NH+](C)[C@@H]1CCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000170833355 407523958 /nfs/dbraw/zinc/52/39/58/407523958.db2.gz CIBHVYQBROWGJF-CQSZACIVSA-N 1 0 306.366 1.483 20 5 DDBDRO COc1cc(NC[C@@](C)(O)C[NH+](C)C)c(F)cc1[N+](=O)[O-] ZINC000218874397 407524378 /nfs/dbraw/zinc/52/43/78/407524378.db2.gz BVCBISDNCZTULS-CYBMUJFWSA-N 1 0 301.318 1.467 20 5 DDBDRO C[NH+](C)[C@H]1CCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000170873627 407541345 /nfs/dbraw/zinc/54/13/45/407541345.db2.gz GFXIXIZRTAAJPI-ZDUSSCGKSA-N 1 0 313.379 1.061 20 5 DDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)C[C@@H]1CCOC1 ZINC000178775970 407598445 /nfs/dbraw/zinc/59/84/45/407598445.db2.gz ZJFCKPPYVIDVQI-NEPJUHHUSA-N 1 0 307.350 1.890 20 5 DDBDRO C[NH2+]C1CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000261771931 407609870 /nfs/dbraw/zinc/60/98/70/407609870.db2.gz WCPYGJBFXWNVPH-UHFFFAOYSA-N 1 0 317.342 1.106 20 5 DDBDRO NC(=O)c1ccc(CN2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c([N+](=O)[O-])c1 ZINC000261818992 407626491 /nfs/dbraw/zinc/62/64/91/407626491.db2.gz HFCPXORFWQMPAC-UBHSHLNASA-N 1 0 318.377 1.253 20 5 DDBDRO COC[C@@](C)([NH3+])CNc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000271347672 407646298 /nfs/dbraw/zinc/64/62/98/407646298.db2.gz SLHLSTCMLWJCSL-LBPRGKRZSA-N 1 0 305.281 1.972 20 5 DDBDRO C[NH+]1CCN(CCCNc2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000266658229 407594591 /nfs/dbraw/zinc/59/45/91/407594591.db2.gz ZREFVZBEXLVYGQ-UHFFFAOYSA-N 1 0 324.410 1.353 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC1(C)CC[NH2+]CC1 ZINC000229626595 407668084 /nfs/dbraw/zinc/66/80/84/407668084.db2.gz TWZGWESKSLQJIP-UHFFFAOYSA-N 1 0 313.379 1.324 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000261960790 407690945 /nfs/dbraw/zinc/69/09/45/407690945.db2.gz XSRTXXNPWHVHIY-ZDUSSCGKSA-N 1 0 318.377 1.023 20 5 DDBDRO Cc1cccc(C(=O)N2C[C@@H]3OCCN(C)[C@H]3C2)c1[N+](=O)[O-] ZINC000152874709 407706245 /nfs/dbraw/zinc/70/62/45/407706245.db2.gz PGUJWVDYVWMDTK-STQMWFEESA-N 1 0 305.334 1.058 20 5 DDBDRO CN(C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)[C@@H]1CC[NH2+]C1 ZINC000179069013 407712607 /nfs/dbraw/zinc/71/26/07/407712607.db2.gz QXQVBZSPPBWMHP-CYBMUJFWSA-N 1 0 318.377 1.629 20 5 DDBDRO COCCCNC(=O)[C@@H](C)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153030610 407738100 /nfs/dbraw/zinc/73/81/00/407738100.db2.gz LTWRASJZAPJYEF-GFCCVEGCSA-N 1 0 321.377 1.494 20 5 DDBDRO Cc1c(NC(=O)[C@@H](C)[N@H+](C)CC(C)(C)O)cccc1[N+](=O)[O-] ZINC000267150787 407767859 /nfs/dbraw/zinc/76/78/59/407767859.db2.gz MMVJBPXZXMBNKS-LLVKDONJSA-N 1 0 309.366 1.933 20 5 DDBDRO COc1ccc(CN2CC[C@H](OC)C[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000262338320 407804340 /nfs/dbraw/zinc/80/43/40/407804340.db2.gz UASZVALXFYWRKD-OLZOCXBDSA-N 1 0 309.366 1.542 20 5 DDBDRO COC[C@@]1(CNC(=O)c2ccc([N+](=O)[O-])cc2F)CCC[NH2+]1 ZINC000262547597 407862887 /nfs/dbraw/zinc/86/28/87/407862887.db2.gz RXGNZFGIUHWAKZ-AWEZNQCLSA-N 1 0 311.313 1.232 20 5 DDBDRO O=[N+]([O-])c1cc(Cl)ccc1CN1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262560890 407869319 /nfs/dbraw/zinc/86/93/19/407869319.db2.gz VLMSZSDSAFPZOQ-CQSZACIVSA-N 1 0 324.812 1.728 20 5 DDBDRO Cc1ccc(NC(=O)C(=O)NCC[N@@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000118123667 407900488 /nfs/dbraw/zinc/90/04/88/407900488.db2.gz LCAUKPIPKYGUSF-UHFFFAOYSA-N 1 0 322.365 1.298 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC1CC[NH2+]CC1 ZINC000262727752 407910156 /nfs/dbraw/zinc/91/01/56/407910156.db2.gz BNERERNFJCHRML-UHFFFAOYSA-N 1 0 313.379 1.242 20 5 DDBDRO CC(C)(O)C(C)(C)[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000272561134 407982132 /nfs/dbraw/zinc/98/21/32/407982132.db2.gz IQUIDKZEDFXPGF-UHFFFAOYSA-N 1 0 321.377 1.623 20 5 DDBDRO C[NH+]1CCC(NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000272466334 407934143 /nfs/dbraw/zinc/93/41/43/407934143.db2.gz DYUKWPKVHMATAT-UHFFFAOYSA-N 1 0 313.304 1.897 20 5 DDBDRO C[C@H](NC(=O)CNc1ccccc1[N+](=O)[O-])C1=CC[N@H+](C)CC1 ZINC000273060357 408037505 /nfs/dbraw/zinc/03/75/05/408037505.db2.gz YJKRMQOLEQXAJS-LBPRGKRZSA-N 1 0 318.377 1.773 20 5 DDBDRO C[NH+](C)Cc1ccnc(NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)c1 ZINC000174989283 408022425 /nfs/dbraw/zinc/02/24/25/408022425.db2.gz XYUTWGFUPCXBDW-UHFFFAOYSA-N 1 0 317.305 1.404 20 5 DDBDRO COCCO[C@@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000189679182 408076859 /nfs/dbraw/zinc/07/68/59/408076859.db2.gz ANMSTFJXXAVZQI-OAHLLOKOSA-N 1 0 310.350 1.711 20 5 DDBDRO C[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C[C@@H]1CCCOC1 ZINC000245897457 408089864 /nfs/dbraw/zinc/08/98/64/408089864.db2.gz FCPBRGCAHFHRQX-DZGCQCFKSA-N 1 0 324.377 1.693 20 5 DDBDRO C[NH+](C)C1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000182243906 408101718 /nfs/dbraw/zinc/10/17/18/408101718.db2.gz NNRMCZCZWCUUIC-CQSZACIVSA-N 1 0 323.393 1.361 20 5 DDBDRO CNC(=O)[C@@H](C)C[N@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000246253242 408194664 /nfs/dbraw/zinc/19/46/64/408194664.db2.gz TXNAAEADHMYQQJ-WDEREUQCSA-N 1 0 322.365 1.236 20 5 DDBDRO CC[N@H+](CCNC(=O)CCn1cc([N+](=O)[O-])nc1C)C1CC1 ZINC000263771657 408249180 /nfs/dbraw/zinc/24/91/80/408249180.db2.gz SVOJBFXAWVGCKE-UHFFFAOYSA-N 1 0 309.370 1.090 20 5 DDBDRO Cn1cccc1[C@@H]1CCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000246465375 408264350 /nfs/dbraw/zinc/26/43/50/408264350.db2.gz AKJYTKNBPAHZKU-HIFRSBDPSA-N 1 0 319.365 1.328 20 5 DDBDRO C[C@H]1CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H]1CO ZINC000190335279 408223070 /nfs/dbraw/zinc/22/30/70/408223070.db2.gz XTJXPORVIIWHPV-CORIIIEPSA-N 1 0 310.350 1.037 20 5 DDBDRO CC[C@]1(C(=O)Nc2cc(C(=O)OC)cc([N+](=O)[O-])c2)CCC[NH2+]1 ZINC000134410460 162078254 /nfs/dbraw/zinc/07/82/54/162078254.db2.gz XWKSDYFFOUEBEH-OAHLLOKOSA-N 1 0 321.333 1.852 20 5 DDBDRO COc1ccc(OCC[N@@H+]2CC[C@H]([C@@H](C)O)C2)c([N+](=O)[O-])c1 ZINC000183197113 408349402 /nfs/dbraw/zinc/34/94/02/408349402.db2.gz MVDYXJUNXOXCFN-NEPJUHHUSA-N 1 0 310.350 1.685 20 5 DDBDRO CC[C@H](C)[N@H+](C)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000264063692 408358570 /nfs/dbraw/zinc/35/85/70/408358570.db2.gz ABFQRJLITPWJCP-NSHDSACASA-N 1 0 315.395 1.603 20 5 DDBDRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000158853233 408364431 /nfs/dbraw/zinc/36/44/31/408364431.db2.gz PRPHRYSDOXCDLX-YPMHNXCESA-N 1 0 323.397 1.371 20 5 DDBDRO C[C@H]([NH2+]C[C@@H](O)CN1CCCC1=O)c1cccc([N+](=O)[O-])c1 ZINC000173363983 162333911 /nfs/dbraw/zinc/33/39/11/162333911.db2.gz NIBOYQRJFCWBAX-SMDDNHRTSA-N 1 0 307.350 1.229 20 5 DDBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000274417843 408396167 /nfs/dbraw/zinc/39/61/67/408396167.db2.gz IFRIZGKRLSRQMH-NSHDSACASA-N 1 0 306.366 1.591 20 5 DDBDRO C[N@H+](CCNC(=O)CCn1cc([N+](=O)[O-])cn1)C1CCCC1 ZINC000264192237 408396432 /nfs/dbraw/zinc/39/64/32/408396432.db2.gz PAAUCYVEZVFKEM-UHFFFAOYSA-N 1 0 309.370 1.172 20 5 DDBDRO CC[N@H+](CCO)CCNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000183952266 408517833 /nfs/dbraw/zinc/51/78/33/408517833.db2.gz JCDCBLURZXKSJR-VMPITWQZSA-N 1 0 307.350 1.038 20 5 DDBDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000160382892 408476944 /nfs/dbraw/zinc/47/69/44/408476944.db2.gz RMXGBVGCPQYSHY-CQSZACIVSA-N 1 0 307.350 1.171 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@H]2c2ccncc2)c1 ZINC000270544552 408573086 /nfs/dbraw/zinc/57/30/86/408573086.db2.gz MBWJOXNFVCFQGS-GJZGRUSLSA-N 1 0 317.349 1.384 20 5 DDBDRO C[NH+](C)[C@@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])c1ccccc1 ZINC000160922440 408539749 /nfs/dbraw/zinc/53/97/49/408539749.db2.gz DIAVOYFGDXIBKY-NSHDSACASA-N 1 0 303.322 1.351 20 5 DDBDRO CS[C@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)C[C@@H]1[NH+](C)C ZINC000270472329 408541580 /nfs/dbraw/zinc/54/15/80/408541580.db2.gz MASCERNFDFQXOA-KBPBESRZSA-N 1 0 323.418 1.641 20 5 DDBDRO Cc1n[nH]c(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)c1[N+](=O)[O-] ZINC000265374723 408627304 /nfs/dbraw/zinc/62/73/04/408627304.db2.gz PHVIFCABWONSMN-JTQLQIEISA-N 1 0 311.386 1.723 20 5 DDBDRO C[NH2+]C[C@H]1CCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])C1 ZINC000178992953 162707287 /nfs/dbraw/zinc/70/72/87/162707287.db2.gz FYDAWXNMGUXBKO-GFCCVEGCSA-N 1 0 306.366 1.099 20 5 DDBDRO CN(C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1CC[NH2+]C1 ZINC000179091107 162711860 /nfs/dbraw/zinc/71/18/60/162711860.db2.gz RERQGDARWZVGET-ZDUSSCGKSA-N 1 0 315.333 1.214 20 5 DDBDRO C[NH+](C)CC[C@H](NC(=O)c1cc([N+](=O)[O-])cnc1N)C(C)(C)C ZINC000184647082 408663869 /nfs/dbraw/zinc/66/38/69/408663869.db2.gz KFCIGFHHJWIZIY-LBPRGKRZSA-N 1 0 323.397 1.668 20 5 DDBDRO [NH3+][C@H]1CC[C@H]2CN(C(=O)CCOc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000184948847 408722523 /nfs/dbraw/zinc/72/25/23/408722523.db2.gz XMQUSZXBTXSXTH-XQQFMLRXSA-N 1 0 319.361 1.559 20 5 DDBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000270921551 408740903 /nfs/dbraw/zinc/74/09/03/408740903.db2.gz KBJMQWKYCNCAQE-NSHDSACASA-N 1 0 320.393 1.979 20 5 DDBDRO CC[C@@H]1C[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H]1O ZINC000270840119 408701014 /nfs/dbraw/zinc/70/10/14/408701014.db2.gz DXEKGTVXRFHTLQ-UXIGCNINSA-N 1 0 310.350 1.037 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000164563870 408801062 /nfs/dbraw/zinc/80/10/62/408801062.db2.gz DWCUXHPOLMRTLQ-QWHCGFSZSA-N 1 0 321.381 1.042 20 5 DDBDRO CCc1n[nH]c(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000178001165 408754327 /nfs/dbraw/zinc/75/43/27/408754327.db2.gz BQXDVDZVXPOLJA-CMPLNLGQSA-N 1 0 321.381 1.437 20 5 DDBDRO [NH3+][C@H]1CC[C@H]2CN(C(=O)COc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000185155260 408771962 /nfs/dbraw/zinc/77/19/62/408771962.db2.gz ZFGGMUVZNQRZTM-TUAOUCFPSA-N 1 0 305.334 1.169 20 5 DDBDRO CCS(=O)(=O)CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000163505333 408779192 /nfs/dbraw/zinc/77/91/92/408779192.db2.gz WFNZHRHTAAAXDK-NSHDSACASA-N 1 0 300.380 1.989 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000250926490 408780158 /nfs/dbraw/zinc/78/01/58/408780158.db2.gz WRHSUPYBXNDARS-GHMZBOCLSA-N 1 0 313.379 1.274 20 5 DDBDRO CCCc1n[nH]c(C(=O)NCC2([NH+](C)C)CCC2)c1[N+](=O)[O-] ZINC000276106235 408821272 /nfs/dbraw/zinc/82/12/72/408821272.db2.gz ZQBVPYUGQBRWQP-UHFFFAOYSA-N 1 0 309.370 1.485 20 5 DDBDRO CCOCCOCC[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000276286601 408829792 /nfs/dbraw/zinc/82/97/92/408829792.db2.gz SJYWHWKXDLEOQW-HNNXBMFYSA-N 1 0 312.366 1.613 20 5 DDBDRO C[C@H](NC(=O)c1cc([N+](=O)[O-])n[nH]1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000285746217 408855958 /nfs/dbraw/zinc/85/59/58/408855958.db2.gz HJXCSRZJABAVCB-QWRGUYRKSA-N 1 0 321.381 1.701 20 5 DDBDRO C[C@@H](O)C[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(N)c2F)[C@@H](C)C1 ZINC000281611740 408896643 /nfs/dbraw/zinc/89/66/43/408896643.db2.gz ZEULRBKZEWHTSF-VHSXEESVSA-N 1 0 312.345 1.207 20 5 DDBDRO CC(C)[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000291730413 408914730 /nfs/dbraw/zinc/91/47/30/408914730.db2.gz JNQUXPVYRWGIOO-GJZGRUSLSA-N 1 0 324.377 1.834 20 5 DDBDRO C[C@@H](NC(=O)c1cc([N+](=O)[O-])n[nH]1)[C@H](c1ccccc1)[NH+](C)C ZINC000285984763 408901701 /nfs/dbraw/zinc/90/17/01/408901701.db2.gz FZONWUZDTCOFLD-QMTHXVAHSA-N 1 0 317.349 1.739 20 5 DDBDRO C[C@@H]1[NH2+]CCC[C@@H]1NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000189319355 163094945 /nfs/dbraw/zinc/09/49/45/163094945.db2.gz MDZXFJPAVAEQAR-GWCFXTLKSA-N 1 0 313.379 1.155 20 5 DDBDRO CCn1nc(C)c([N+](=O)[O-])c1NCC1CC[NH+](CCO)CC1 ZINC000192569064 163228197 /nfs/dbraw/zinc/22/81/97/163228197.db2.gz QQEKACFWLNHZAW-UHFFFAOYSA-N 1 0 311.386 1.236 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2CC[N@@H+]3CCCC[C@@H]23)n1 ZINC000286253073 408949197 /nfs/dbraw/zinc/94/91/97/408949197.db2.gz IVIYAXOHVIJSHQ-JQWIXIFHSA-N 1 0 320.349 1.815 20 5 DDBDRO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N[C@H]1CCC[NH2+]CC1 ZINC000226462085 163336421 /nfs/dbraw/zinc/33/64/21/163336421.db2.gz XCGYYLJCNFANNO-VIFPVBQESA-N 1 0 317.342 1.154 20 5 DDBDRO [NH3+]CC[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000282074687 408985899 /nfs/dbraw/zinc/98/58/99/408985899.db2.gz XCOWAKOEFHKPMW-SNVBAGLBSA-N 1 0 322.321 1.704 20 5 DDBDRO C[C@@H](CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C[NH+](C)C ZINC000292229809 409006441 /nfs/dbraw/zinc/00/64/41/409006441.db2.gz CIBYKRZNUSHCNV-NSHDSACASA-N 1 0 318.377 1.933 20 5 DDBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000287309699 409018106 /nfs/dbraw/zinc/01/81/06/409018106.db2.gz UQXVOSVOEOHPIQ-BXUZGUMPSA-N 1 0 318.377 1.876 20 5 DDBDRO O=C(COc1cccc([N+](=O)[O-])c1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000293584282 409143252 /nfs/dbraw/zinc/14/32/52/409143252.db2.gz YTKDAURPXRKHQZ-BXUZGUMPSA-N 1 0 305.334 1.184 20 5 DDBDRO COCC1(CNC(=O)c2cc([N+](=O)[O-])cnc2C)CC[NH2+]CC1 ZINC000261669973 163681691 /nfs/dbraw/zinc/68/16/91/163681691.db2.gz GHIOHYXGBIVYCY-UHFFFAOYSA-N 1 0 322.365 1.044 20 5 DDBDRO C[NH2+][C@H]1CCCN(CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000261839909 163713858 /nfs/dbraw/zinc/71/38/58/163713858.db2.gz WLYNNMRREFSEJS-LBPRGKRZSA-N 1 0 309.366 1.666 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](CO)C1CCCC1 ZINC000289410366 409266287 /nfs/dbraw/zinc/26/62/87/409266287.db2.gz AYVLVHFOPQEKCG-OAHLLOKOSA-N 1 0 321.377 1.982 20 5 DDBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H]1CCNC(=O)CC1 ZINC000295258415 409400843 /nfs/dbraw/zinc/40/08/43/409400843.db2.gz GSGCMKLCKNPLOF-CQSZACIVSA-N 1 0 305.378 1.985 20 5 DDBDRO Cc1nc(N2CCC(C[NH+]3CCOCC3)CC2)ncc1[N+](=O)[O-] ZINC000295555094 409345748 /nfs/dbraw/zinc/34/57/48/409345748.db2.gz PTTLPUXRTKUZJR-UHFFFAOYSA-N 1 0 321.381 1.242 20 5 DDBDRO Cc1ccc(S(=O)(=O)NC(C)(C)CCC[NH3+])cc1[N+](=O)[O-] ZINC000315111398 164017953 /nfs/dbraw/zinc/01/79/53/164017953.db2.gz RBKWAKWADLGZEW-UHFFFAOYSA-N 1 0 315.395 1.699 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCCOCC[NH+](C)C)c1 ZINC000318984141 164033919 /nfs/dbraw/zinc/03/39/19/164033919.db2.gz KITNLGLMVCOZDF-UHFFFAOYSA-N 1 0 311.338 1.372 20 5 DDBDRO COc1cc(C(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000347017737 164097407 /nfs/dbraw/zinc/09/74/07/164097407.db2.gz UVAAOQWECWAIQV-ZDUSSCGKSA-N 1 0 319.361 1.912 20 5 DDBDRO CNC(=O)CCOC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000355110813 164127094 /nfs/dbraw/zinc/12/70/94/164127094.db2.gz LNDDJNAIKLVPQH-UHFFFAOYSA-N 1 0 321.377 1.712 20 5 DDBDRO C[NH+]1CCC(CCNc2nccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000290727771 409499372 /nfs/dbraw/zinc/49/93/72/409499372.db2.gz ZXWSZALNIXTCEU-UHFFFAOYSA-N 1 0 307.354 1.233 20 5 DDBDRO O=C(Cc1ccccc1[N+](=O)[O-])N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000295476801 409500405 /nfs/dbraw/zinc/50/04/05/409500405.db2.gz NUORGDHDSIICAQ-CQSZACIVSA-N 1 0 321.377 1.100 20 5 DDBDRO CN(C[C@@H]1CCC[N@H+](C)C1)c1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000342406694 409603266 /nfs/dbraw/zinc/60/32/66/409603266.db2.gz HWYPSNYELUMMQM-LLVKDONJSA-N 1 0 306.366 1.472 20 5 DDBDRO C[C@@H]1C[N@@H+](C2CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CC2)CCO1 ZINC000345051013 409608517 /nfs/dbraw/zinc/60/85/17/409608517.db2.gz JFTCDUUAMAJHTE-LLVKDONJSA-N 1 0 322.365 1.248 20 5 DDBDRO CC(C)C[C@H]1CCC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000305052866 409662027 /nfs/dbraw/zinc/66/20/27/409662027.db2.gz NHUSBRMWLRWMLF-HIFRSBDPSA-N 1 0 310.398 1.910 20 5 DDBDRO CS[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C[C@@H]1[NH+]1CCCC1 ZINC000331665097 409749668 /nfs/dbraw/zinc/74/96/68/409749668.db2.gz YUWXFRLMEKMZGC-QWHCGFSZSA-N 1 0 324.406 1.575 20 5 DDBDRO CC[C@H](C)[NH+]1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000297037903 409771073 /nfs/dbraw/zinc/77/10/73/409771073.db2.gz SNVIRCOCLPUCGC-ZDUSSCGKSA-N 1 0 321.377 1.916 20 5 DDBDRO CC[C@H](C)[NH+]1CCN(C(=O)CCn2cc([N+](=O)[O-])nc2C)CC1 ZINC000297053042 409777276 /nfs/dbraw/zinc/77/72/76/409777276.db2.gz UGGIJDGCANGTLK-LBPRGKRZSA-N 1 0 323.397 1.433 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2CCC[N@H+](C)[C@@H]2C)n1 ZINC000342829665 409932505 /nfs/dbraw/zinc/93/25/05/409932505.db2.gz FDHJVJSZMMMTSG-ZJUUUORDSA-N 1 0 308.338 1.671 20 5 DDBDRO CN(CC1([NH+](C)C)CCC1)c1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000342960967 410030819 /nfs/dbraw/zinc/03/08/19/410030819.db2.gz OVLOJNCCXYGOLD-UHFFFAOYSA-N 1 0 306.366 1.614 20 5 DDBDRO C[N@@H+]1CCC[C@@H]1CCN1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000298020340 410081576 /nfs/dbraw/zinc/08/15/76/410081576.db2.gz DOYBNTLUUZDOFT-CQSZACIVSA-N 1 0 319.409 1.596 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CC3CCOCC3)CC2)cn1 ZINC000332408581 410134485 /nfs/dbraw/zinc/13/44/85/410134485.db2.gz YXFGPTDCPHDKRU-UHFFFAOYSA-N 1 0 306.366 1.538 20 5 DDBDRO C[C@H](CC(N)=O)[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000343103325 410144604 /nfs/dbraw/zinc/14/46/04/410144604.db2.gz OVOFIMBFHADCJU-NXEZZACHSA-N 1 0 308.338 1.165 20 5 DDBDRO COc1cc(C(=O)NC[C@H](C)[NH+](C)C)c([N+](=O)[O-])cc1OC ZINC000298367147 410199147 /nfs/dbraw/zinc/19/91/47/410199147.db2.gz SNDBCCTXTPFGAW-VIFPVBQESA-N 1 0 311.338 1.292 20 5 DDBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000332683016 410209083 /nfs/dbraw/zinc/20/90/83/410209083.db2.gz KCXWUEQKTVRBGN-NSHDSACASA-N 1 0 309.370 1.132 20 5 DDBDRO C[C@H](CNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])[NH+](C)C ZINC000298489816 410252757 /nfs/dbraw/zinc/25/27/57/410252757.db2.gz XOICACVGKJRPHR-SNVBAGLBSA-N 1 0 306.366 1.849 20 5 DDBDRO C[NH+](C)CCOC1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000351901112 410325855 /nfs/dbraw/zinc/32/58/55/410325855.db2.gz WCUGKILJOAXRBG-UHFFFAOYSA-N 1 0 310.354 1.106 20 5 DDBDRO COC(=O)[C@@H](C)C[N@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000298688434 410346068 /nfs/dbraw/zinc/34/60/68/410346068.db2.gz AOOIBJJFZCCCIH-JTQLQIEISA-N 1 0 324.333 1.702 20 5 DDBDRO COC(=O)[C@H]1CC[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)[C@@H]1C ZINC000346997050 410300433 /nfs/dbraw/zinc/30/04/33/410300433.db2.gz CBNQOEATZXNIOC-PWSUYJOCSA-N 1 0 308.334 1.987 20 5 DDBDRO C[C@@H](C[NH+](C)C)NC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000355202254 410375572 /nfs/dbraw/zinc/37/55/72/410375572.db2.gz YJWRBINQBYSTTL-VIFPVBQESA-N 1 0 314.773 1.998 20 5 DDBDRO C[C@H](C[NH+](C)C)NC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000355202252 410377027 /nfs/dbraw/zinc/37/70/27/410377027.db2.gz YJWRBINQBYSTTL-SECBINFHSA-N 1 0 314.773 1.998 20 5 DDBDRO CCc1ccc(C(=O)NC[C@@](C)(O)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000352110374 410487289 /nfs/dbraw/zinc/48/72/89/410487289.db2.gz BSGLUTASBFUULU-INIZCTEOSA-N 1 0 323.393 1.590 20 5 DDBDRO CC(C)(CC(N)=O)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000299199178 410564773 /nfs/dbraw/zinc/56/47/73/410564773.db2.gz FKJNNPODAGIBNZ-UHFFFAOYSA-N 1 0 308.338 1.167 20 5 DDBDRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000299147080 410544664 /nfs/dbraw/zinc/54/46/64/410544664.db2.gz ZSHWDCYCWSRVJJ-UHFFFAOYSA-N 1 0 323.397 1.021 20 5 DDBDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000301141884 410663806 /nfs/dbraw/zinc/66/38/06/410663806.db2.gz CDPZOKCWRGVHBW-AXFHLTTASA-N 1 0 308.386 1.745 20 5 DDBDRO C[C@H]1CCC[C@@](CNc2ncc([N+](=O)[O-])c(N)n2)([NH+](C)C)C1 ZINC000301088632 410653075 /nfs/dbraw/zinc/65/30/75/410653075.db2.gz NBSGKKRZEWXFCT-IINYFYTJSA-N 1 0 308.386 1.889 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@H]2c2ccccc2)c1 ZINC000353046448 410755867 /nfs/dbraw/zinc/75/58/67/410755867.db2.gz AROHVGADWQJTLB-CABCVRRESA-N 1 0 302.334 1.599 20 5 DDBDRO CC[N@@H+]1C[C@H](C)N(CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000330569426 410785590 /nfs/dbraw/zinc/78/55/90/410785590.db2.gz MCUIDYLCPHOQLE-OLZOCXBDSA-N 1 0 320.393 1.948 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000330577758 410794353 /nfs/dbraw/zinc/79/43/53/410794353.db2.gz HBNUTEZEANYGQL-STQMWFEESA-N 1 0 320.393 1.866 20 5 DDBDRO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])n1C)C[NH+]1CCCCC1 ZINC000330525841 410748852 /nfs/dbraw/zinc/74/88/52/410748852.db2.gz CUPOJXDDEUBUJY-GFCCVEGCSA-N 1 0 308.382 1.785 20 5 DDBDRO C[C@@H]1CCCC[N@@H+]1CCNc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000301947444 410836772 /nfs/dbraw/zinc/83/67/72/410836772.db2.gz YALMSGCNRAFHPW-LLVKDONJSA-N 1 0 304.354 1.924 20 5 DDBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])nn1C)[N@@H+]1CCC[C@H](C)C1 ZINC000356150101 410864415 /nfs/dbraw/zinc/86/44/15/410864415.db2.gz HTHWUJYCCXUDRA-QWRGUYRKSA-N 1 0 309.370 1.179 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[N@@H+](C)C[C@H]1C ZINC000330671870 410865307 /nfs/dbraw/zinc/86/53/07/410865307.db2.gz NHCSOZBDFQKIHE-CYBMUJFWSA-N 1 0 320.393 1.868 20 5 DDBDRO Cc1c([C@H](C)[NH2+]C[C@H]2CN(C)CCN2C)cccc1[N+](=O)[O-] ZINC000330673531 410865405 /nfs/dbraw/zinc/86/54/05/410865405.db2.gz HKGPOMFCILMVPH-KBPBESRZSA-N 1 0 306.410 1.800 20 5 DDBDRO C[N@H+]1C[C@H]2CN(c3cc4nc[nH]c(=O)c4cc3[N+](=O)[O-])C[C@H]2C1 ZINC000302861666 410878339 /nfs/dbraw/zinc/87/83/39/410878339.db2.gz QEYBIHYRXWNBIQ-AOOOYVTPSA-N 1 0 315.333 1.241 20 5 DDBDRO C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000348288523 410899471 /nfs/dbraw/zinc/89/94/71/410899471.db2.gz WMCXNNYDUBSTDS-DVVUODLYSA-N 1 0 322.287 1.425 20 5 DDBDRO O=[N+]([O-])c1ccc(OC(F)F)c(CN2C[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000359474765 167511597 /nfs/dbraw/zinc/51/15/97/167511597.db2.gz QRWBUGNOLMZSGI-QWRGUYRKSA-N 1 0 313.304 1.847 20 5 DDBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cncn1C ZINC000353567366 411067337 /nfs/dbraw/zinc/06/73/37/411067337.db2.gz NMYXQTKTVATCQF-NSHDSACASA-N 1 0 317.349 1.835 20 5 DDBDRO COC(=O)c1cc(C)nc(NC[C@@H]2CCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000341841960 411069336 /nfs/dbraw/zinc/06/93/36/411069336.db2.gz KOBXYTPCJJNQJE-JTQLQIEISA-N 1 0 308.338 1.591 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000331250739 411041616 /nfs/dbraw/zinc/04/16/16/411041616.db2.gz ZYWNFEGAXGSVJG-JTQLQIEISA-N 1 0 309.370 1.608 20 5 DDBDRO COc1cc(CN2C[C@H]3CCC[NH2+][C@@H]3C2)c([N+](=O)[O-])cc1OC ZINC000353713156 411116330 /nfs/dbraw/zinc/11/63/30/411116330.db2.gz VVBJWLPDZBFHKK-DGCLKSJQSA-N 1 0 321.377 1.796 20 5 DDBDRO COC(=O)COc1ccc(C[NH2+]CC2(O)CCC2)cc1[N+](=O)[O-] ZINC000353741285 411121329 /nfs/dbraw/zinc/12/13/29/411121329.db2.gz STYHFKXYYSVIMM-UHFFFAOYSA-N 1 0 324.333 1.151 20 5 DDBDRO CC(=O)N[C@@H](C)C1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000360311203 411125860 /nfs/dbraw/zinc/12/58/60/411125860.db2.gz SRTXSRVBUGHNDI-NSHDSACASA-N 1 0 309.370 1.028 20 5 DDBDRO Cc1nc(NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)ncc1[N+](=O)[O-] ZINC000296283258 225725589 /nfs/dbraw/zinc/72/55/89/225725589.db2.gz HJTWFIQALTXGRP-ZDUSSCGKSA-N 1 0 322.413 1.377 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NCCC[NH2+]C1CCCCC1 ZINC000419917280 226396326 /nfs/dbraw/zinc/39/63/26/226396326.db2.gz HAFPULBMJPPMTM-UHFFFAOYSA-N 1 0 309.370 1.371 20 5 DDBDRO CC[C@@](C)([NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C)C(N)=O ZINC000177128078 221843926 /nfs/dbraw/zinc/84/39/26/221843926.db2.gz HAHUELBGZMXOOU-OAHLLOKOSA-N 1 0 322.365 1.475 20 5 DDBDRO COc1ccc(C(=O)N[C@@H]2C[C@@H]2C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000361118347 418586744 /nfs/dbraw/zinc/58/67/44/418586744.db2.gz UNZDUTFOWYLZBI-CHWSQXEVSA-N 1 0 319.361 1.721 20 5 DDBDRO [NH3+][C@@H]1CCC[C@]12CCN(C(=O)c1ccc([N+](=O)[O-])c([O-])c1)C2 ZINC000367648209 418619482 /nfs/dbraw/zinc/61/94/82/418619482.db2.gz GGNKNGMSZAKUOD-UKRRQHHQSA-N 1 0 305.334 1.644 20 5 DDBDRO C[N@@H+]1CCC[C@@H](N2CCN(c3ncc([N+](=O)[O-])s3)CC2)C1 ZINC000375590781 418658544 /nfs/dbraw/zinc/65/85/44/418658544.db2.gz JJSTYWYIFIFHHD-LLVKDONJSA-N 1 0 311.411 1.268 20 5 DDBDRO COc1cc(CN2C[C@@H](C)O[C@]3(CCOC3)C2)ccc1[N+](=O)[O-] ZINC000361506885 418664423 /nfs/dbraw/zinc/66/44/23/418664423.db2.gz BSODHWIWIIRLNH-MLGOLLRUSA-N 1 0 322.361 1.983 20 5 DDBDRO [NH3+]Cc1cc(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)ccn1 ZINC000361608916 418690635 /nfs/dbraw/zinc/69/06/35/418690635.db2.gz HGUICUQSDUWGAA-UHFFFAOYSA-N 1 0 312.329 1.647 20 5 DDBDRO CCO[C@@H]1COCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000362019682 418739813 /nfs/dbraw/zinc/73/98/13/418739813.db2.gz VOSBJXDNBKUJSD-DZGCQCFKSA-N 1 0 310.350 1.887 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)N2CCN(C)[C@@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC000408092755 418787079 /nfs/dbraw/zinc/78/70/79/418787079.db2.gz ZRAIIPQQDYTWGJ-VHSXEESVSA-N 1 0 309.370 1.606 20 5 DDBDRO [NH3+]CCNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000418088397 419523517 /nfs/dbraw/zinc/52/35/17/419523517.db2.gz KIRRCQQSRCYYGR-UHFFFAOYSA-N 1 0 306.244 1.372 20 5 DDBDRO O=[N+]([O-])c1cc(F)c(C[NH2+][C@@H](CO)[C@@H]2CCCOC2)c(F)c1 ZINC000411988703 419548821 /nfs/dbraw/zinc/54/88/21/419548821.db2.gz OOMXEJYCTQPAQI-OTYXRUKQSA-N 1 0 316.304 1.750 20 5 DDBDRO COc1cc(C[NH2+]C(C)(C)CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000411999789 419557751 /nfs/dbraw/zinc/55/77/51/419557751.db2.gz SUQZGQNYMLZYIW-UHFFFAOYSA-N 1 0 323.393 1.804 20 5 DDBDRO Cc1cc(S(=O)(=O)N[C@H](C)CCCC[NH3+])ccc1[N+](=O)[O-] ZINC000427941060 419772118 /nfs/dbraw/zinc/77/21/18/419772118.db2.gz YRQDXXMETWTLBV-LLVKDONJSA-N 1 0 315.395 1.699 20 5 DDBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000418501939 419840627 /nfs/dbraw/zinc/84/06/27/419840627.db2.gz SMIPMTOPAXQNEZ-CYBMUJFWSA-N 1 0 306.366 1.516 20 5 DDBDRO C[C@@H]1C[C@H](NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000418594448 419893037 /nfs/dbraw/zinc/89/30/37/419893037.db2.gz FOHIFNMWGFQJKM-DGCLKSJQSA-N 1 0 306.366 1.877 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)n1 ZINC000434443313 229297377 /nfs/dbraw/zinc/29/73/77/229297377.db2.gz XGGZHUUAPBJYJS-LBPRGKRZSA-N 1 0 321.381 1.558 20 5 DDBDRO O=C(COc1ccccc1[N+](=O)[O-])N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000435236985 229364674 /nfs/dbraw/zinc/36/46/74/229364674.db2.gz LMXBHDYJTXXTTK-GFCCVEGCSA-N 1 0 305.334 1.327 20 5 DDBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000418785426 419983067 /nfs/dbraw/zinc/98/30/67/419983067.db2.gz HYFKEFRYTOFRKT-GXTWGEPZSA-N 1 0 320.393 1.906 20 5 DDBDRO CC(C)([NH2+]C[C@@H](O)CN1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000429229194 419990619 /nfs/dbraw/zinc/99/06/19/419990619.db2.gz GZMNJNOSQJZKMA-CYBMUJFWSA-N 1 0 323.393 1.113 20 5 DDBDRO COC[C@]1(C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC[NH2+]C1 ZINC000423269734 419999858 /nfs/dbraw/zinc/99/98/58/419999858.db2.gz FVBNMUWKSDNCQF-WBMJQRKESA-N 1 0 321.377 1.707 20 5 DDBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NCC1C[NH2+]C1 ZINC000423467229 420056253 /nfs/dbraw/zinc/05/62/53/420056253.db2.gz AMWLRSOQTHEQBG-UHFFFAOYSA-N 1 0 315.782 1.676 20 5 DDBDRO COc1ccc(NC(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000415450000 420072863 /nfs/dbraw/zinc/07/28/63/420072863.db2.gz WCDYBGDKAOUZPZ-GXSJLCMTSA-N 1 0 308.338 1.804 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)c1 ZINC000423544330 420078213 /nfs/dbraw/zinc/07/82/13/420078213.db2.gz IRGBDFICVGYNDK-ZWNOBZJWSA-N 1 0 307.350 1.721 20 5 DDBDRO COc1cc(C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)cc([N+](=O)[O-])c1C ZINC000423588571 420090252 /nfs/dbraw/zinc/09/02/52/420090252.db2.gz GHXJXSKAPPVHNR-BXKDBHETSA-N 1 0 307.350 1.640 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000415505497 420093265 /nfs/dbraw/zinc/09/32/65/420093265.db2.gz QIZXPGXWFXUYFV-CQSZACIVSA-N 1 0 308.338 1.806 20 5 DDBDRO C[C@@]1(C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)CCCC[NH2+]1 ZINC000423824034 420208988 /nfs/dbraw/zinc/20/89/88/420208988.db2.gz IXSLCPBNQQNMSP-HNNXBMFYSA-N 1 0 304.350 1.407 20 5 DDBDRO Cc1cc(NC2CC[NH+]([C@@H]3CCOC3)CC2)ncc1[N+](=O)[O-] ZINC000301733467 229858707 /nfs/dbraw/zinc/85/87/07/229858707.db2.gz UEJLEGJFQXCWCV-CYBMUJFWSA-N 1 0 306.366 1.963 20 5 DDBDRO CC(C)(C)[C@@H](C[NH3+])NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000423965305 420286094 /nfs/dbraw/zinc/28/60/94/420286094.db2.gz YBXFFVSLSAAKDU-CYBMUJFWSA-N 1 0 308.382 1.886 20 5 DDBDRO CCCc1n[nH]c(C(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC000424015912 420307122 /nfs/dbraw/zinc/30/71/22/420307122.db2.gz NIMYRURNZZBLPF-VHSXEESVSA-N 1 0 309.370 1.327 20 5 DDBDRO C[C@H]1CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000424014816 420307397 /nfs/dbraw/zinc/30/73/97/420307397.db2.gz LZJDKKAOCAJHLQ-STQMWFEESA-N 1 0 321.377 1.807 20 5 DDBDRO COCC(C)(C)[NH+]1CCN(c2cc(C)c([N+](=O)[O-])cn2)CC1 ZINC000425283627 420337929 /nfs/dbraw/zinc/33/79/29/420337929.db2.gz UEBZEASXMFHRCJ-UHFFFAOYSA-N 1 0 308.382 1.845 20 5 DDBDRO Cc1cc(S(=O)(=O)N[C@H]2CC[C@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000420447850 420293915 /nfs/dbraw/zinc/29/39/15/420293915.db2.gz KDLIEMSEVGJRLO-QWRGUYRKSA-N 1 0 313.379 1.309 20 5 DDBDRO COc1cc(C(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)cc([N+](=O)[O-])c1C ZINC000424003498 420301664 /nfs/dbraw/zinc/30/16/64/420301664.db2.gz RGTHCTQTSQDOEP-GWCFXTLKSA-N 1 0 321.377 1.969 20 5 DDBDRO Cc1ccc(NCCCNC(=O)N(C)CC[NH3+])c([N+](=O)[O-])c1 ZINC000417717933 420460188 /nfs/dbraw/zinc/46/01/88/420460188.db2.gz NMLOWZQECJZMOA-UHFFFAOYSA-N 1 0 309.370 1.305 20 5 DDBDRO CN(CC(C)(C)C[NH3+])C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000417774725 420474920 /nfs/dbraw/zinc/47/49/20/420474920.db2.gz ZRSYVEHWMGYDFX-UHFFFAOYSA-N 1 0 308.382 1.764 20 5 DDBDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000457120165 420621528 /nfs/dbraw/zinc/62/15/28/420621528.db2.gz NTUJWDPMLKJMSV-NSHDSACASA-N 1 0 324.356 1.871 20 5 DDBDRO O=C(/C=C\c1ccc(F)cc1[N+](=O)[O-])NC[C@@H]1C[NH2+]CCCO1 ZINC000493066355 420747705 /nfs/dbraw/zinc/74/77/05/420747705.db2.gz XSJIWZVZPKDKMJ-DXTPNHAXSA-N 1 0 323.324 1.242 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2C[C@H]([NH3+])[C@@H](C)C2)c1C ZINC000447256538 420768811 /nfs/dbraw/zinc/76/88/11/420768811.db2.gz NURDHIJMOLGABD-ONGXEEELSA-N 1 0 313.379 1.179 20 5 DDBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CCC[C@H]1O ZINC000453404045 420724962 /nfs/dbraw/zinc/72/49/62/420724962.db2.gz HGLAEEMIRKMYIQ-LERXQTSPSA-N 1 0 307.350 1.815 20 5 DDBDRO COc1cc(C[NH2+][C@@H](CO)[C@H]2CCCO2)c([N+](=O)[O-])cc1F ZINC000447904354 420813228 /nfs/dbraw/zinc/81/32/28/420813228.db2.gz JVKJTOAYCAUCQW-WCQYABFASA-N 1 0 314.313 1.372 20 5 DDBDRO O=C(CC[NH2+][C@H](CO)[C@H]1CCCO1)Nc1ccc([N+](=O)[O-])cc1 ZINC000447918606 420820068 /nfs/dbraw/zinc/82/00/68/420820068.db2.gz ZTNNTQHZZBYKID-ZIAGYGMSSA-N 1 0 323.349 1.053 20 5 DDBDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000493751129 420932532 /nfs/dbraw/zinc/93/25/32/420932532.db2.gz IRJPGJSTLMPMPI-UQRCUPDISA-N 1 0 307.325 1.943 20 5 DDBDRO CN(C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)C1(C[NH3+])CCC1 ZINC000449682319 421057805 /nfs/dbraw/zinc/05/78/05/421057805.db2.gz XJKWJLVZNFRXCX-UHFFFAOYSA-N 1 0 303.322 1.425 20 5 DDBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c(NC)n1 ZINC000456052319 421093754 /nfs/dbraw/zinc/09/37/54/421093754.db2.gz PQLIQUMKUCDTIF-LLVKDONJSA-N 1 0 323.397 1.882 20 5 DDBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H]1CCC[N@@H+]1CCCO ZINC000450601296 421216242 /nfs/dbraw/zinc/21/62/42/421216242.db2.gz YITFPXLKQQLBSD-LBPRGKRZSA-N 1 0 311.386 1.378 20 5 DDBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H]1CCCC[N@@H+]1CCO ZINC000450612630 421217134 /nfs/dbraw/zinc/21/71/34/421217134.db2.gz KFLJYXPBXLZHQT-LBPRGKRZSA-N 1 0 311.386 1.378 20 5 DDBDRO CC[NH2+][C@H](C)CNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000563601541 421526306 /nfs/dbraw/zinc/52/63/06/421526306.db2.gz WLYGGSBAMVQPTG-LLVKDONJSA-N 1 0 306.366 1.661 20 5 DDBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCSc2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000565243505 421596901 /nfs/dbraw/zinc/59/69/01/421596901.db2.gz YWSBREKYFUVBDA-AOOOYVTPSA-N 1 0 311.411 2.037 20 5 DDBDRO O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CC[NH+]2CCC1CC2 ZINC000530345879 421595647 /nfs/dbraw/zinc/59/56/47/421595647.db2.gz GNUUGOAUKATONT-UHFFFAOYSA-N 1 0 319.317 1.244 20 5 DDBDRO CC(C)C[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000532393123 421658272 /nfs/dbraw/zinc/65/82/72/421658272.db2.gz QTQSSTRYWVOZQT-UHFFFAOYSA-N 1 0 306.366 1.840 20 5 DDBDRO CC(C)(C)OCC[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000571516375 421721642 /nfs/dbraw/zinc/72/16/42/421721642.db2.gz MNZGQIXKFILAJB-GFCCVEGCSA-N 1 0 312.366 1.739 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC[C@@H]([NH+]3CCOCC3)CC2)nc1 ZINC000518795866 421668595 /nfs/dbraw/zinc/66/85/95/421668595.db2.gz HQMUDHZHPSSKPA-CYBMUJFWSA-N 1 0 306.366 1.681 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H]2CCCSC2)c1 ZINC000521994882 421809650 /nfs/dbraw/zinc/80/96/50/421809650.db2.gz ITCXUURDEDIJFF-DGCLKSJQSA-N 1 0 312.391 1.820 20 5 DDBDRO CC[C@@H]1C[N@H+](C)CCN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000557919931 421794419 /nfs/dbraw/zinc/79/44/19/421794419.db2.gz KDRTVCNRCTYFNG-CYBMUJFWSA-N 1 0 320.393 1.949 20 5 DDBDRO C[C@@H](CCC[NH3+])NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000581607310 422012167 /nfs/dbraw/zinc/01/21/67/422012167.db2.gz UEBZQXJGKDXSER-JTQLQIEISA-N 1 0 318.337 1.033 20 5 DDBDRO CCc1ccc(S(=O)(=O)N[C@@H](C)C[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000574277232 422088533 /nfs/dbraw/zinc/08/85/33/422088533.db2.gz TVOJYZNGHFNVGM-UWVGGRQHSA-N 1 0 315.395 1.561 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CCCC1(O)CCC1 ZINC000583688995 422213272 /nfs/dbraw/zinc/21/32/72/422213272.db2.gz NIKNXSKFSBMPEQ-ZDUSSCGKSA-N 1 0 324.377 1.619 20 5 DDBDRO COC(=O)c1cc(C(=O)N2CC[C@@H]([NH3+])C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000575134217 422267769 /nfs/dbraw/zinc/26/77/69/422267769.db2.gz PJXYJOKKJFOTIQ-JOYOIKCWSA-N 1 0 321.333 1.333 20 5 DDBDRO CNc1nccc(C(=O)NCCC[N@H+](C)CC(C)C)c1[N+](=O)[O-] ZINC000594370679 422346579 /nfs/dbraw/zinc/34/65/79/422346579.db2.gz ANFRCXDNEFCAKK-UHFFFAOYSA-N 1 0 323.397 1.739 20 5 DDBDRO Nc1nc(N[C@H]2CC[N@@H+](C3CCCCC3)C2)ncc1[N+](=O)[O-] ZINC000596477881 422378422 /nfs/dbraw/zinc/37/84/22/422378422.db2.gz LHRHJCLTCLUAOX-JTQLQIEISA-N 1 0 306.370 1.786 20 5 DDBDRO C[NH+](C)[C@H](CNc1ccc(N)c([N+](=O)[O-])n1)c1cccc(F)c1 ZINC000590569351 422321262 /nfs/dbraw/zinc/32/12/62/422321262.db2.gz QMKIHCURTQINJH-CYBMUJFWSA-N 1 0 319.340 2.426 20 5 DDBDRO COCCC[N@H+](C)CCNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000611705620 422478514 /nfs/dbraw/zinc/47/85/14/422478514.db2.gz GDRZGRZZTQTLJF-UHFFFAOYSA-N 1 0 319.365 1.918 20 5 DDBDRO COCC[NH+]1CCC(Nc2cccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000341848062 271221944 /nfs/dbraw/zinc/22/19/44/271221944.db2.gz USSQVGWZDSKBNA-UHFFFAOYSA-N 1 0 322.365 1.216 20 5 DDBDRO C[C@@H]1[C@@H](NC(=O)CNc2ccccc2[N+](=O)[O-])CCC[N@@H+]1C ZINC000345328973 272220450 /nfs/dbraw/zinc/22/04/50/272220450.db2.gz VEJKXJXFHXAEQJ-NEPJUHHUSA-N 1 0 306.366 1.606 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CCC([NH+](C)C)CC2)c1 ZINC000302076313 274003935 /nfs/dbraw/zinc/00/39/35/274003935.db2.gz HGWRJGXJXXTHJL-UHFFFAOYSA-N 1 0 307.350 1.912 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(N2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000267386599 274118363 /nfs/dbraw/zinc/11/83/63/274118363.db2.gz MPPJNMBTEPNLRS-ZDUSSCGKSA-N 1 0 321.377 1.762 20 5 DDBDRO C[C@H]([NH2+][C@@H](C)[C@@H]1CCOC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000266320083 274518390 /nfs/dbraw/zinc/51/83/90/274518390.db2.gz RVGDKYMPBQVQQS-SDDRHHMPSA-N 1 0 307.350 1.936 20 5 DDBDRO CCC[C@]1(CO)CCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000277653833 276053717 /nfs/dbraw/zinc/05/37/17/276053717.db2.gz DFIYREIQWVKNCT-MRXNPFEDSA-N 1 0 321.377 1.821 20 5 DDBDRO CCOc1cc(C(=O)N[C@@H](C[NH3+])C2CC2)c([N+](=O)[O-])cc1OC ZINC000236893960 276368793 /nfs/dbraw/zinc/36/87/93/276368793.db2.gz ADIYZEQQWMRCNW-NSHDSACASA-N 1 0 323.349 1.469 20 5 DDBDRO C[N@@H+]1CCC[C@@]2(CCN(c3ccc(C(N)=O)cc3[N+](=O)[O-])C2)C1 ZINC000292664757 277072622 /nfs/dbraw/zinc/07/26/22/277072622.db2.gz CSDOWAYRXXZSDI-MRXNPFEDSA-N 1 0 318.377 1.616 20 5 DDBDRO COC(=O)c1cc(C)nc(N2CC[C@@H]3C[NH2+]C[C@H]3C2)c1[N+](=O)[O-] ZINC000420263937 277150771 /nfs/dbraw/zinc/15/07/71/277150771.db2.gz TZWKHAKEMBNBHK-MNOVXSKESA-N 1 0 320.349 1.131 20 5 DDBDRO C[C@@H]([NH3+])CCNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000285663182 277597977 /nfs/dbraw/zinc/59/79/77/277597977.db2.gz HVNWGTKEWYXSLL-SNVBAGLBSA-N 1 0 303.322 1.248 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1(S(C)(=O)=O)CC1 ZINC000449296102 279382082 /nfs/dbraw/zinc/38/20/82/279382082.db2.gz XVLCHMXURLQPIG-LLVKDONJSA-N 1 0 312.391 1.693 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@@H]1CCO ZINC000426230006 280375775 /nfs/dbraw/zinc/37/57/75/280375775.db2.gz JTHPGXCFCIDNLL-OLZOCXBDSA-N 1 0 310.350 1.181 20 5 DDBDRO C[C@@H]1CN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000261728029 288238597 /nfs/dbraw/zinc/23/85/97/288238597.db2.gz QUOFNNJFRHRULL-SCZZXKLOSA-N 1 0 317.342 1.092 20 5 DDBDRO O=C(NCc1cccc([N+](=O)[O-])c1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000129139195 281333749 /nfs/dbraw/zinc/33/37/49/281333749.db2.gz WNHBZFAARYJDML-CYBMUJFWSA-N 1 0 318.377 1.878 20 5 DDBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000573611513 304603995 /nfs/dbraw/zinc/60/39/95/304603995.db2.gz TYJUKWAQCCUXMY-VHSXEESVSA-N 1 0 318.337 1.031 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357090373 298961750 /nfs/dbraw/zinc/96/17/50/298961750.db2.gz VHEBBANZHWWBSY-OLZOCXBDSA-N 1 0 318.377 1.383 20 5 DDBDRO NC(=O)c1ccc(C[N@@H+]2CCC[C@H]3COCC[C@H]32)c([N+](=O)[O-])c1 ZINC000362454462 300067738 /nfs/dbraw/zinc/06/77/38/300067738.db2.gz QNQJGKAMIONJMU-UONOGXRCSA-N 1 0 319.361 1.695 20 5 DDBDRO COCCO[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000362530026 300087576 /nfs/dbraw/zinc/08/75/76/300087576.db2.gz UZXZRUVGODPHLU-LSDHHAIUSA-N 1 0 310.350 1.505 20 5 DDBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000363020491 300199260 /nfs/dbraw/zinc/19/92/60/300199260.db2.gz LKXOZSDBLTUORI-ZJUUUORDSA-N 1 0 306.322 1.052 20 5 DDBDRO O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1C[C@@H]1[N+](=O)[O-] ZINC000363304922 300247940 /nfs/dbraw/zinc/24/79/40/300247940.db2.gz MBOLJWVVDLJXAC-KFWWJZLASA-N 1 0 303.362 1.432 20 5 DDBDRO CN(c1ncc([N+](=O)[O-])cn1)C1CCN(c2cc[nH+]cc2)CC1 ZINC000363888203 300321261 /nfs/dbraw/zinc/32/12/61/300321261.db2.gz PFBHQCLMSLQHTN-UHFFFAOYSA-N 1 0 314.349 1.885 20 5 DDBDRO C[N@@H+]1CC[C@H]2CCN(c3nc4sccn4c3[N+](=O)[O-])C[C@@H]21 ZINC000364300795 300372207 /nfs/dbraw/zinc/37/22/07/300372207.db2.gz GURFOZRAFNSNMS-UWVGGRQHSA-N 1 0 307.379 1.834 20 5 DDBDRO CC(C)[N@@H+]1CCO[C@H](C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000368458388 301032539 /nfs/dbraw/zinc/03/25/39/301032539.db2.gz OBFDXTDCDNPENG-HNNXBMFYSA-N 1 0 321.377 1.363 20 5 DDBDRO Cc1cc(C2=CCN([C@H](C)C(N)=O)CC2)cc([N+](=O)[O-])c1N ZINC000369906050 301237381 /nfs/dbraw/zinc/23/73/81/301237381.db2.gz KTKJTXYZGRQJPL-SNVBAGLBSA-N 1 0 304.350 1.448 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1CN1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000370044616 301264623 /nfs/dbraw/zinc/26/46/23/301264623.db2.gz FQRNQKQOVVRJCI-AGIUHOORSA-N 1 0 305.382 1.244 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000375994949 302021144 /nfs/dbraw/zinc/02/11/44/302021144.db2.gz OJLALPCUDGNNMF-SCRDCRAPSA-N 1 0 308.382 1.844 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000235753973 302048801 /nfs/dbraw/zinc/04/88/01/302048801.db2.gz LYXHXMCKXNASLG-WDEREUQCSA-N 1 0 313.379 1.322 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1CN1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000377767982 302229394 /nfs/dbraw/zinc/22/93/94/302229394.db2.gz PCICNHQPGBMJJI-STQMWFEESA-N 1 0 306.366 1.862 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)n1 ZINC000377791130 302233958 /nfs/dbraw/zinc/23/39/58/302233958.db2.gz ZDLPFZIAUNBWFZ-JSGCOSHPSA-N 1 0 306.366 1.825 20 5 DDBDRO C[N@@H+]1C[C@@H](NC(=O)c2[nH]ncc2[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC000378310175 302310558 /nfs/dbraw/zinc/31/05/58/302310558.db2.gz UHKFMKLURDJEOO-VXGBXAGGSA-N 1 0 315.333 1.146 20 5 DDBDRO CC(C)[NH+](CCN(C)C(=O)c1nn(C)cc1[N+](=O)[O-])C(C)C ZINC000356161441 306840126 /nfs/dbraw/zinc/84/01/26/306840126.db2.gz FBXGCSJTLDYDDH-UHFFFAOYSA-N 1 0 311.386 1.519 20 5 DDBDRO Cn1nc([N+](=O)[O-])cc1C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000356165958 306840349 /nfs/dbraw/zinc/84/03/49/306840349.db2.gz JHHXMRJIVGCFOO-UHFFFAOYSA-N 1 0 321.381 1.276 20 5 DDBDRO COc1ccc(CC(=O)N(C)CCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000538314391 303383685 /nfs/dbraw/zinc/38/36/85/303383685.db2.gz GNVYLKZXZPKTQW-UHFFFAOYSA-N 1 0 309.366 1.556 20 5 DDBDRO COC(=O)C[C@]1([NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2)CCOC1 ZINC000362284551 307016026 /nfs/dbraw/zinc/01/60/26/307016026.db2.gz ZWXJTRNKNHDSQQ-OAHLLOKOSA-N 1 0 324.333 1.415 20 5 DDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000362634845 307023200 /nfs/dbraw/zinc/02/32/00/307023200.db2.gz LPICONGTNIKGQV-UHFFFAOYSA-N 1 0 312.329 1.817 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[NH+]2CCC1CC2 ZINC000365190618 307061261 /nfs/dbraw/zinc/06/12/61/307061261.db2.gz BWHJYMMHESLNDW-UHFFFAOYSA-N 1 0 305.334 1.524 20 5 DDBDRO O=C(CCn1cc([N+](=O)[O-])cn1)Nc1cccc2c1C[NH2+]CC2 ZINC000367507437 307095664 /nfs/dbraw/zinc/09/56/64/307095664.db2.gz LXGUKILJUHBSEU-UHFFFAOYSA-N 1 0 315.333 1.466 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1CN1CCN2C(=O)N(C)C[C@H]2C1 ZINC000369684004 307126543 /nfs/dbraw/zinc/12/65/43/307126543.db2.gz RDGYWXPJHZFSEG-AWEZNQCLSA-N 1 0 304.350 1.455 20 5 DDBDRO O=C([C@@H]1C[NH+]2CCC1CC2)N1CCc2c1cccc2[N+](=O)[O-] ZINC000370645293 307131552 /nfs/dbraw/zinc/13/15/52/307131552.db2.gz UXBXKKCQSRIRBC-CYBMUJFWSA-N 1 0 301.346 1.826 20 5 DDBDRO COc1cc(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000371511975 307151938 /nfs/dbraw/zinc/15/19/38/307151938.db2.gz ULRSRLPAANYTGF-OLZOCXBDSA-N 1 0 319.361 1.960 20 5 DDBDRO O=C1NC[C@@]2(CCC[N@@H+](CCc3ccc([N+](=O)[O-])cc3)C2)O1 ZINC000372614290 307172443 /nfs/dbraw/zinc/17/24/43/307172443.db2.gz SOSIMKCGHGWBOV-OAHLLOKOSA-N 1 0 305.334 1.712 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000372864756 307175216 /nfs/dbraw/zinc/17/52/16/307175216.db2.gz ABGHAJZUPPGXLZ-CYBMUJFWSA-N 1 0 319.361 1.914 20 5 DDBDRO C[C@]1(CNC(=O)[C@H]2C[C@H]2[N+](=O)[O-])CC[N@H+](Cc2ccccc2)C1 ZINC000374279338 307204963 /nfs/dbraw/zinc/20/49/63/307204963.db2.gz VGJHKYJTWGZXBS-ZMSDIMECSA-N 1 0 317.389 1.680 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCC3(CCOCC3)CC2)c1 ZINC000375291568 307220448 /nfs/dbraw/zinc/22/04/48/307220448.db2.gz IBCJWUVFFYTATM-AWEZNQCLSA-N 1 0 324.381 1.045 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c(F)c1 ZINC000375774428 307230627 /nfs/dbraw/zinc/23/06/27/307230627.db2.gz OWPZEJWHDVBBQN-CABCVRRESA-N 1 0 309.341 1.769 20 5 DDBDRO COc1cc(C(=O)N2CC[C@@H]3CC[N@H+](C)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000376642894 307251197 /nfs/dbraw/zinc/25/11/97/307251197.db2.gz MLLUEUZLLUSESB-SMDDNHRTSA-N 1 0 319.361 1.770 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000377645106 307275497 /nfs/dbraw/zinc/27/54/97/307275497.db2.gz BNGGDEYZRINVDP-ZFWWWQNUSA-N 1 0 315.377 1.863 20 5 DDBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3cc(F)ccc3[N+](=O)[O-])C[C@@H]21 ZINC000378474488 307288796 /nfs/dbraw/zinc/28/87/96/307288796.db2.gz RBEOYIPRHRRNOW-HZMBPMFUSA-N 1 0 307.325 1.900 20 5 DDBDRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)/C=C\c3cccc([N+](=O)[O-])c3)C[C@H]12 ZINC000390609771 307293703 /nfs/dbraw/zinc/29/37/03/307293703.db2.gz HZHRQWYMGSSIGD-CIGCXVDBSA-N 1 0 301.346 1.804 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C[C@@H]1CCCS1 ZINC000516277338 307414764 /nfs/dbraw/zinc/41/47/64/307414764.db2.gz ZKKIUNRAZWDBIG-RYUDHWBXSA-N 1 0 312.391 1.820 20 5 DDBDRO COc1cc(S(=O)(=O)N[C@H](C)C[C@@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000516570506 307417721 /nfs/dbraw/zinc/41/77/21/307417721.db2.gz SIYNDRDGBPSOJB-RKDXNWHRSA-N 1 0 317.367 1.008 20 5 DDBDRO COc1ccc(F)cc1C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000563707437 307979682 /nfs/dbraw/zinc/97/96/82/307979682.db2.gz OWUIZVILNHJOEY-CYBMUJFWSA-N 1 0 324.312 1.090 20 5 DDBDRO COc1ccc(CC(=O)N2C[C@H](C[NH3+])C[C@H]2C)cc1[N+](=O)[O-] ZINC000567669777 308089182 /nfs/dbraw/zinc/08/91/82/308089182.db2.gz LVOKJKNQZVMYRK-PWSUYJOCSA-N 1 0 307.350 1.342 20 5 DDBDRO C[C@@H]1CC[C@@H](C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])O1 ZINC000567697065 308091693 /nfs/dbraw/zinc/09/16/93/308091693.db2.gz NVEOALUZMPSOKJ-UPJWGTAASA-N 1 0 310.350 1.492 20 5 DDBDRO Cc1cc(CC[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)on1 ZINC000568621017 308124469 /nfs/dbraw/zinc/12/44/69/308124469.db2.gz QECLVKUXJKSWGT-ZDUSSCGKSA-N 1 0 321.333 1.463 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N(C)C2(C[NH3+])CCC2)c1 ZINC000576576970 308324253 /nfs/dbraw/zinc/32/42/53/308324253.db2.gz RQSUKEJTGFPWKF-UHFFFAOYSA-N 1 0 307.350 1.947 20 5 DDBDRO O=C1N=NCN1C1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000576930146 308349898 /nfs/dbraw/zinc/34/98/98/308349898.db2.gz AEPDMFOQTJZVSP-UHFFFAOYSA-N 1 0 317.349 1.772 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000577200406 308370397 /nfs/dbraw/zinc/37/03/97/308370397.db2.gz NULOOMZWIQREJO-NWDGAFQWSA-N 1 0 304.350 1.607 20 5 DDBDRO CCn1ccnc1C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000579345242 308524490 /nfs/dbraw/zinc/52/44/90/308524490.db2.gz TZVKWTPJAJNKTL-UHFFFAOYSA-N 1 0 317.349 1.930 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000382445586 325745049 /nfs/dbraw/zinc/74/50/49/325745049.db2.gz ALBPEBAGNFJNFR-MNOVXSKESA-N 1 0 313.379 1.309 20 5 DDBDRO Cc1cc(S(=O)(=O)N(C)[C@H]2CC[NH2+]C2)c(C)cc1[N+](=O)[O-] ZINC000582371747 326022228 /nfs/dbraw/zinc/02/22/28/326022228.db2.gz KZJCOXTYSLWIGL-NSHDSACASA-N 1 0 313.379 1.194 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1N1CCC([NH2+]CCO)CC1)CCN2 ZINC000583413596 332393371 /nfs/dbraw/zinc/39/33/71/332393371.db2.gz KHELPUPONKRVFP-UHFFFAOYSA-N 1 0 306.366 1.114 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCCOCC1 ZINC000583559668 335727592 /nfs/dbraw/zinc/72/75/92/335727592.db2.gz GIFRTMUZOOVTPN-CHWSQXEVSA-N 1 0 310.350 1.493 20 5 DDBDRO COc1cc(OCC(=O)NCCC[NH2+]C2CC2)ccc1[N+](=O)[O-] ZINC000582787080 337165281 /nfs/dbraw/zinc/16/52/81/337165281.db2.gz WGFDJFGBLFQDCQ-UHFFFAOYSA-N 1 0 323.349 1.241 20 5 DDBDRO CC1CCC([NH+]2CCN(C(=O)c3c[nH]nc3[N+](=O)[O-])CC2)CC1 ZINC000584422811 337324354 /nfs/dbraw/zinc/32/43/54/337324354.db2.gz BFQCZUSSBQGEBZ-UHFFFAOYSA-N 1 0 321.381 1.654 20 5 DDBDRO Nc1c(C(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)cc(F)cc1[N+](=O)[O-] ZINC000583873174 337366211 /nfs/dbraw/zinc/36/62/11/337366211.db2.gz FBBRWRLWHWBCMI-HNNXBMFYSA-N 1 0 322.340 1.532 20 5 DDBDRO COCC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CCC[C@H]1C ZINC000487986706 484212865 /nfs/dbraw/zinc/21/28/65/484212865.db2.gz JZFOEXLZWYEGIN-UKRRQHHQSA-N 1 0 323.393 1.894 20 5 DDBDRO COc1cc(C[N@H+](C)[C@@H]2CCN3CCO[C@H]2C3)ccc1[N+](=O)[O-] ZINC000451136257 533795365 /nfs/dbraw/zinc/79/53/65/533795365.db2.gz FIZQDMPEAORWIN-CJNGLKHVSA-N 1 0 321.377 1.508 20 5 DDBDRO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000443349072 533823775 /nfs/dbraw/zinc/82/37/75/533823775.db2.gz SYPVCIUBNNRCJE-BZPMIXESSA-N 1 0 309.366 1.238 20 5 DDBDRO COc1cc(C[NH2+][C@@H]2CCCC[C@H]2C(N)=O)ccc1[N+](=O)[O-] ZINC000445765507 533896971 /nfs/dbraw/zinc/89/69/71/533896971.db2.gz MAFUONCQOBJYKD-VXGBXAGGSA-N 1 0 307.350 1.737 20 5 DDBDRO C[C@H]([NH2+]C[C@H](O)c1cnn(C)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294640347 533903184 /nfs/dbraw/zinc/90/31/84/533903184.db2.gz GHIQXAKNWXQHQZ-XPTSAGLGSA-N 1 0 305.338 1.295 20 5 DDBDRO COc1ccc(NC(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)cc1[N+](=O)[O-] ZINC000415447320 534116115 /nfs/dbraw/zinc/11/61/15/534116115.db2.gz UGSXCQXZCSKBDD-QWRGUYRKSA-N 1 0 320.349 1.677 20 5 DDBDRO [NH3+]C1(CNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CCC1 ZINC000418507650 534538452 /nfs/dbraw/zinc/53/84/52/534538452.db2.gz JIAJSHAHLUVPDG-UHFFFAOYSA-N 1 0 304.350 1.544 20 5 DDBDRO CCCc1n[nH]c(C(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)c1[N+](=O)[O-] ZINC000156444525 521327054 /nfs/dbraw/zinc/32/70/54/521327054.db2.gz COPPJLYFHGEBFH-VHSXEESVSA-N 1 0 309.370 1.470 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000292834276 534627597 /nfs/dbraw/zinc/62/75/97/534627597.db2.gz BSQJNIRPVKXCQA-SMDDNHRTSA-N 1 0 305.334 1.184 20 5 DDBDRO Nc1c(C(=O)N[C@H](CC[NH3+])C(F)F)cc(F)cc1[N+](=O)[O-] ZINC000449615168 534645433 /nfs/dbraw/zinc/64/54/33/534645433.db2.gz YBCKXUHGGZRVSM-SSDOTTSWSA-N 1 0 306.244 1.028 20 5 DDBDRO O=C(Nc1ccncc1[N+](=O)[O-])N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000332487634 534771509 /nfs/dbraw/zinc/77/15/09/534771509.db2.gz ZSELPHAJWTZTNT-RYUDHWBXSA-N 1 0 319.365 1.265 20 5 DDBDRO C[C@H]1CN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)[C@@H](C)C[NH2+]1 ZINC000156242916 524653416 /nfs/dbraw/zinc/65/34/16/524653416.db2.gz UTACTQSMJFGGTM-QWRGUYRKSA-N 1 0 313.379 1.107 20 5 DDBDRO CCN(C)C(=O)C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000331351480 527727116 /nfs/dbraw/zinc/72/71/16/527727116.db2.gz WLYDIKJFUNJQGN-RYUDHWBXSA-N 1 0 309.370 1.343 20 5 DDBDRO CCOC(=O)[C@@H]1NCC[C@H]1[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000422919547 527913333 /nfs/dbraw/zinc/91/33/33/527913333.db2.gz JYYHWBVDGKDLLN-NJZAAPMLSA-N 1 0 321.377 1.847 20 5 DDBDRO CCC[NH2+]CCNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000418475046 528489968 /nfs/dbraw/zinc/48/99/68/528489968.db2.gz QGQPQFCNSVXMCK-UHFFFAOYSA-N 1 0 306.366 1.662 20 5 DDBDRO CC(C)[C@@H]1C[N@H+](C)CCN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000330973386 528743258 /nfs/dbraw/zinc/74/32/58/528743258.db2.gz KUFMPEPZBBQCFZ-HNNXBMFYSA-N 1 0 320.393 1.805 20 5 DDBDRO CC(C)[N@@H+]1CC[C@H](N(C)CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000452123215 529076565 /nfs/dbraw/zinc/07/65/65/529076565.db2.gz VIKUPPZXNZFQNA-ZDUSSCGKSA-N 1 0 320.393 1.948 20 5 DDBDRO CC1(C)COC[C@@H]1[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000451808006 529133696 /nfs/dbraw/zinc/13/36/96/529133696.db2.gz CPPKLJLCAMWUMS-FZMZJTMJSA-N 1 0 310.350 1.349 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000746882332 700043483 /nfs/dbraw/zinc/04/34/83/700043483.db2.gz LQOUHRLHVGCPGK-SNVBAGLBSA-N 1 0 323.324 1.466 20 5 DDBDRO CC(C)[NH+]1CCN(CCC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000075635415 696422777 /nfs/dbraw/zinc/42/27/77/696422777.db2.gz PZZBWQICSWPVSS-UHFFFAOYSA-N 1 0 320.393 1.949 20 5 DDBDRO COCC1CCN(Cn2c3cc([N+](=O)[O-])ccc3oc2=O)CC1 ZINC000112331933 696650300 /nfs/dbraw/zinc/65/03/00/696650300.db2.gz FNIUFQZDEBFOAW-UHFFFAOYSA-N 1 0 321.333 1.819 20 5 DDBDRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000151275371 696882939 /nfs/dbraw/zinc/88/29/39/696882939.db2.gz FIWIVKNPXQQTGJ-AWEZNQCLSA-N 1 0 306.366 1.589 20 5 DDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[N@H+](CC2CC(F)(F)C2)CC1 ZINC000981137921 697015449 /nfs/dbraw/zinc/01/54/49/697015449.db2.gz HVXNXMFVBJUPJH-VXGBXAGGSA-N 1 0 317.336 1.231 20 5 DDBDRO C[NH2+]CCCN(C)S(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 ZINC000164574386 697336969 /nfs/dbraw/zinc/33/69/69/697336969.db2.gz VBULFEDKVWOGAZ-UHFFFAOYSA-N 1 0 319.358 1.272 20 5 DDBDRO O=C1CCCN1CCC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000749644042 700175100 /nfs/dbraw/zinc/17/51/00/700175100.db2.gz CRTKHXLDMXHMFP-AWEZNQCLSA-N 1 0 307.350 1.230 20 5 DDBDRO C[C@H]1C[C@@H](NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC[NH2+]1 ZINC000235722713 697794524 /nfs/dbraw/zinc/79/45/24/697794524.db2.gz JFFYUFIRNHYFPD-IUCAKERBSA-N 1 0 317.342 1.153 20 5 DDBDRO O=c1cc2c(n[nH]1)CC[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000775775780 698031081 /nfs/dbraw/zinc/03/10/81/698031081.db2.gz BDQWSCRYANIKJU-CQSZACIVSA-N 1 0 316.317 1.182 20 5 DDBDRO CC(C)(C(=O)OCCC[NH+]1CCCCC1)n1cc([N+](=O)[O-])cn1 ZINC000800159453 700195589 /nfs/dbraw/zinc/19/55/89/700195589.db2.gz MUKDNCOVSPTUTB-UHFFFAOYSA-N 1 0 324.381 1.946 20 5 DDBDRO CCOC(=O)[C@@H]1CCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776271805 698090267 /nfs/dbraw/zinc/09/02/67/698090267.db2.gz HKHOOXMNMGWFGO-HIFRSBDPSA-N 1 0 322.361 1.903 20 5 DDBDRO CC(=O)NC[C@@H]1CCC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776580559 698120699 /nfs/dbraw/zinc/12/06/99/698120699.db2.gz WJWWKQOYHIPELB-XJKSGUPXSA-N 1 0 321.377 1.476 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+](CCO)Cc2cccnc2)cc1 ZINC000776586270 698122001 /nfs/dbraw/zinc/12/20/01/698122001.db2.gz LVOIGBONQSZNGK-MRXNPFEDSA-N 1 0 317.345 1.518 20 5 DDBDRO C[C@@H]([NH2+]CC1CN(S(C)(=O)=O)C1)c1ccccc1[N+](=O)[O-] ZINC000777650089 698212405 /nfs/dbraw/zinc/21/24/05/698212405.db2.gz RBYQMWGCEOOZNP-SNVBAGLBSA-N 1 0 313.379 1.137 20 5 DDBDRO O=[N+]([O-])c1ccc(Cl)cc1CN1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262414057 698468305 /nfs/dbraw/zinc/46/83/05/698468305.db2.gz DKEACYLNWJADAP-AWEZNQCLSA-N 1 0 324.812 1.728 20 5 DDBDRO O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NCC[NH+]1CCC1 ZINC000782019338 698674284 /nfs/dbraw/zinc/67/42/84/698674284.db2.gz TUQHEPSNPXAJFC-UHFFFAOYSA-N 1 0 322.321 1.258 20 5 DDBDRO COc1cc(C(=O)N2CC[C@]3(CCC[NH2+]3)C2)cc([N+](=O)[O-])c1C ZINC000424032670 699147811 /nfs/dbraw/zinc/14/78/11/699147811.db2.gz WADKKODATXJPGI-MRXNPFEDSA-N 1 0 319.361 1.880 20 5 DDBDRO COc1cc(C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)cc([N+](=O)[O-])c1C ZINC000424032668 699147849 /nfs/dbraw/zinc/14/78/49/699147849.db2.gz WADKKODATXJPGI-INIZCTEOSA-N 1 0 319.361 1.880 20 5 DDBDRO CC[N@H+]1C[C@@H](C)N(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000594375436 699216147 /nfs/dbraw/zinc/21/61/47/699216147.db2.gz OOAVKQLIFASVJF-AOOOYVTPSA-N 1 0 308.338 1.250 20 5 DDBDRO O=C(CCn1cc([N+](=O)[O-])cn1)O[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000788114521 699279709 /nfs/dbraw/zinc/27/97/09/699279709.db2.gz FCOOEUVZPJXXTJ-YPMHNXCESA-N 1 0 308.338 1.351 20 5 DDBDRO Cc1c(NNC(=S)NCCC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000727981769 699434489 /nfs/dbraw/zinc/43/44/89/699434489.db2.gz QWSZHGAHSFYYNB-UHFFFAOYSA-N 1 0 311.411 1.646 20 5 DDBDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000794576986 699817519 /nfs/dbraw/zinc/81/75/19/699817519.db2.gz NEBYANBYLKXIPW-MCIONIFRSA-N 1 0 307.350 1.133 20 5 DDBDRO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CCn1cc([N+](=O)[O-])cn1 ZINC000796117456 699913573 /nfs/dbraw/zinc/91/35/73/699913573.db2.gz ZYYTZSLCJBXFNB-UHFFFAOYSA-N 1 0 319.321 1.874 20 5 DDBDRO C[C@H]1CN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000761082512 700841875 /nfs/dbraw/zinc/84/18/75/700841875.db2.gz QDLZHEHGUXUWGT-LBPRGKRZSA-N 1 0 306.366 1.194 20 5 DDBDRO COc1ccc(CNC(=O)C2([NH+](C)C)CCC2)cc1[N+](=O)[O-] ZINC000763030587 700920764 /nfs/dbraw/zinc/92/07/64/700920764.db2.gz RJXHAENYLANIAP-UHFFFAOYSA-N 1 0 307.350 1.704 20 5 DDBDRO CN(C)c1ncc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)cn1 ZINC000809735271 701684186 /nfs/dbraw/zinc/68/41/86/701684186.db2.gz YRFRVQZNTVZDGV-UHFFFAOYSA-N 1 0 316.365 1.416 20 5 DDBDRO COCCn1cc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)cn1 ZINC000809734466 701683723 /nfs/dbraw/zinc/68/37/23/701683723.db2.gz HGCRTBLTDDYNNL-UHFFFAOYSA-N 1 0 319.365 1.403 20 5 DDBDRO COC[C@H](CCO)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000766107037 701037883 /nfs/dbraw/zinc/03/78/83/701037883.db2.gz HFMVPHWYCVHRSJ-AWEZNQCLSA-N 1 0 323.393 1.551 20 5 DDBDRO C[NH+](C)C1(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)CCC1 ZINC000802902071 701066888 /nfs/dbraw/zinc/06/68/88/701066888.db2.gz FAFCKLUXBXKJFU-UHFFFAOYSA-N 1 0 303.322 1.894 20 5 DDBDRO COc1cccc(C(=O)NCC[N@@H+]2CCC[C@H]2C)c1[N+](=O)[O-] ZINC000770739795 701292836 /nfs/dbraw/zinc/29/28/36/701292836.db2.gz MFGNFBCSIRNLQU-LLVKDONJSA-N 1 0 307.350 1.818 20 5 DDBDRO C[NH+](C)C[C@@H](O)CNc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000771064625 701307759 /nfs/dbraw/zinc/30/77/59/701307759.db2.gz FPOHFXSCQWWNNY-VIFPVBQESA-N 1 0 305.281 1.531 20 5 DDBDRO CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1ccccc1 ZINC000839516035 701721922 /nfs/dbraw/zinc/72/19/22/701721922.db2.gz DSUHNNGXBXSMSM-BZUAXINKSA-N 1 0 319.405 1.721 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C1CC[NH2+]CC1 ZINC000868009670 701890020 /nfs/dbraw/zinc/89/00/20/701890020.db2.gz HVPDNHQOBOIYDA-JTQLQIEISA-N 1 0 307.350 1.721 20 5 DDBDRO C[C@H](NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815576036 701898479 /nfs/dbraw/zinc/89/84/79/701898479.db2.gz HKIVUIJNQFUYRK-YUTCNCBUSA-N 1 0 320.393 1.691 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@H]2[C@@H](O)c2ccccc2)c1 ZINC000879245409 706627395 /nfs/dbraw/zinc/62/73/95/706627395.db2.gz XLWALMHTLCZDBB-HOTGVXAUSA-N 1 0 316.361 1.989 20 5 DDBDRO COc1ccc(NC(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)cc1[N+](=O)[O-] ZINC000868145325 701962239 /nfs/dbraw/zinc/96/22/39/701962239.db2.gz PVENPKMKICIYEY-VXGBXAGGSA-N 1 0 320.349 1.962 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(c3ccc(C(N)=O)cc3[N+](=O)[O-])CC[C@H]21 ZINC000866206770 706648621 /nfs/dbraw/zinc/64/86/21/706648621.db2.gz NAYJROBUMLTZJL-VXGBXAGGSA-N 1 0 304.350 1.224 20 5 DDBDRO C[N@@H+]1CC[C@H]2CN(c3cc(N)c([N+](=O)[O-])c(CO)c3)CC[C@H]21 ZINC000866210230 706649638 /nfs/dbraw/zinc/64/96/38/706649638.db2.gz ZTVKBWRTQQZKTQ-IINYFYTJSA-N 1 0 306.366 1.200 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CC[C@@H](n3cccn3)C2)cc1 ZINC000812876674 702257026 /nfs/dbraw/zinc/25/70/26/702257026.db2.gz OGRVMWVDKNDWRN-HUUCEWRRSA-N 1 0 302.334 1.772 20 5 DDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C[C@H]1CCC[N@@H+]1C ZINC000817131723 702281497 /nfs/dbraw/zinc/28/14/97/702281497.db2.gz MGMGJLOLNOMNHO-GFCCVEGCSA-N 1 0 306.366 1.485 20 5 DDBDRO COCCNCC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000841048429 702324281 /nfs/dbraw/zinc/32/42/81/702324281.db2.gz ONZFGELZCRTUAH-UHFFFAOYSA-N 1 0 322.409 1.389 20 5 DDBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H]1CN(C)CCN1C ZINC000866264000 706661333 /nfs/dbraw/zinc/66/13/33/706661333.db2.gz JYHREPLNIGWUKK-IUODEOHRSA-N 1 0 324.400 1.500 20 5 DDBDRO C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C[C@@H]1C[NH3+] ZINC000818008146 702551679 /nfs/dbraw/zinc/55/16/79/702551679.db2.gz DSJQUOTVIWYZFI-RYUDHWBXSA-N 1 0 320.393 1.718 20 5 DDBDRO C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000818010975 702552996 /nfs/dbraw/zinc/55/29/96/702552996.db2.gz SDNYNWGIYXDFKO-MWLCHTKSSA-N 1 0 322.321 1.560 20 5 DDBDRO C[NH2+][C@@H]1CCN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000841854469 702588210 /nfs/dbraw/zinc/58/82/10/702588210.db2.gz ADHXZJJGXYIBEN-SNVBAGLBSA-N 1 0 312.757 1.752 20 5 DDBDRO C[C@H](C[NH3+])CNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000842787389 702773703 /nfs/dbraw/zinc/77/37/03/702773703.db2.gz NZQMWPQPVAKNQA-SSDOTTSWSA-N 1 0 307.759 1.121 20 5 DDBDRO C[NH2+]C[C@@H](C)c1nc(Cc2ccc([N+](=O)[O-])c(OC)c2)no1 ZINC000843192676 702838229 /nfs/dbraw/zinc/83/82/29/702838229.db2.gz WQXRGCQBEAEZEN-SECBINFHSA-N 1 0 306.322 1.900 20 5 DDBDRO Cc1nc([N+](=O)[O-])c(-c2noc(CCC3CC[NH2+]CC3)n2)n1C ZINC000843222682 702845280 /nfs/dbraw/zinc/84/52/80/702845280.db2.gz SXWZGKVNHSMOEQ-UHFFFAOYSA-N 1 0 320.353 1.619 20 5 DDBDRO C[NH2+][C@@H]1CCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000843344449 702863214 /nfs/dbraw/zinc/86/32/14/702863214.db2.gz DQNDKRYUNGUGIP-SNVBAGLBSA-N 1 0 312.757 1.480 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000843456223 702885718 /nfs/dbraw/zinc/88/57/18/702885718.db2.gz ZPFWLPPCOMWTJS-VHSXEESVSA-N 1 0 322.321 1.621 20 5 DDBDRO CC(C)S(=O)(=O)CC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000848550093 703562470 /nfs/dbraw/zinc/56/24/70/703562470.db2.gz CBQMURFNNMTZHM-CYBMUJFWSA-N 1 0 312.391 1.995 20 5 DDBDRO C[NH2+]C[C@@H](C)NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000850593535 703738510 /nfs/dbraw/zinc/73/85/10/703738510.db2.gz VIRUIBMVQVLNHX-SSDOTTSWSA-N 1 0 307.759 1.134 20 5 DDBDRO CO[C@@H]1CC[C@H]([NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000851716915 703835490 /nfs/dbraw/zinc/83/54/90/703835490.db2.gz OGOPZLSYAFUAGV-GXTWGEPZSA-N 1 0 306.366 1.679 20 5 DDBDRO O=C(CN1CCC[C@H]2[NH2+]CC[C@@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000866721750 706775962 /nfs/dbraw/zinc/77/59/62/706775962.db2.gz YMQDNUYUIXUGHH-YPMHNXCESA-N 1 0 304.350 1.360 20 5 DDBDRO CC(C)(C)N1C[C@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1=O ZINC000819127598 704072913 /nfs/dbraw/zinc/07/29/13/704072913.db2.gz UYNWJHZBBBLZCP-OCCSQVGLSA-N 1 0 321.377 1.617 20 5 DDBDRO CCC(=O)N1CC[C@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000819163948 704079122 /nfs/dbraw/zinc/07/91/22/704079122.db2.gz OGKQTZKFAADZTO-JSGCOSHPSA-N 1 0 307.350 1.229 20 5 DDBDRO CC(=O)N1CCC[C@@H](C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000819277284 704099939 /nfs/dbraw/zinc/09/99/39/704099939.db2.gz GRNJAZYCXYHWAS-BBRMVZONSA-N 1 0 321.377 1.476 20 5 DDBDRO CCC[C@@H](C)C(=O)NCC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819330491 704108528 /nfs/dbraw/zinc/10/85/28/704108528.db2.gz SSJCRPZEVBZZPW-DOMZBBRYSA-N 1 0 323.393 1.770 20 5 DDBDRO Cc1cnc(CC[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000819360579 704113289 /nfs/dbraw/zinc/11/32/89/704113289.db2.gz CUDGFGLPCDCZBF-HNNXBMFYSA-N 1 0 302.334 1.559 20 5 DDBDRO CN(CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])CC(C)(C)[NH3+] ZINC000852754759 704115526 /nfs/dbraw/zinc/11/55/26/704115526.db2.gz LFNIUNRKVMYGMK-UHFFFAOYSA-N 1 0 314.773 1.856 20 5 DDBDRO COc1ccc(CNC(=O)C=C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000852821235 704136174 /nfs/dbraw/zinc/13/61/74/704136174.db2.gz ZYUHZLJPBXPUDA-UHFFFAOYSA-N 1 0 305.334 1.529 20 5 DDBDRO O=C(CC[NH2+]CC1CC1)NCCNc1ccccc1[N+](=O)[O-] ZINC000870855980 704146243 /nfs/dbraw/zinc/14/62/43/704146243.db2.gz GGDBILQNSWCXKE-UHFFFAOYSA-N 1 0 306.366 1.513 20 5 DDBDRO C[NH+](C)[C@H]1CCCN(C(=O)[C@](C)(N)c2cccc([N+](=O)[O-])c2)C1 ZINC000870879787 704155412 /nfs/dbraw/zinc/15/54/12/704155412.db2.gz NPWVVQCYXIOBLS-GOEBONIOSA-N 1 0 320.393 1.321 20 5 DDBDRO CC(C)[NH+]1CCC(CCNC(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC000870956966 704181785 /nfs/dbraw/zinc/18/17/85/704181785.db2.gz RIBQZDGYUGFKPB-UHFFFAOYSA-N 1 0 323.397 1.569 20 5 DDBDRO C[N@@H+]1CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CCC1(C)C ZINC000871155862 704233302 /nfs/dbraw/zinc/23/33/02/704233302.db2.gz FORGVGZLJAIJBD-UHFFFAOYSA-N 1 0 308.338 1.252 20 5 DDBDRO Cc1nn(CN2CCO[C@H](CCC[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000853624823 704288696 /nfs/dbraw/zinc/28/86/96/704288696.db2.gz MXKSRJGTFOOLGC-CYBMUJFWSA-N 1 0 311.386 1.100 20 5 DDBDRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000855286451 704477422 /nfs/dbraw/zinc/47/74/22/704477422.db2.gz RRSZOPWPJBLCJX-SNVBAGLBSA-N 1 0 306.366 1.780 20 5 DDBDRO CC(C)(CCC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)[N+](=O)[O-] ZINC000856098888 704513462 /nfs/dbraw/zinc/51/34/62/704513462.db2.gz VJRATEKZVQWNOK-CYBMUJFWSA-N 1 0 313.398 1.191 20 5 DDBDRO CC[NH2+][C@H](C)CNC(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857768229 704623159 /nfs/dbraw/zinc/62/31/59/704623159.db2.gz OAKXCJKQOUTAGR-SECBINFHSA-N 1 0 317.292 1.681 20 5 DDBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C[C@H](C)[NH2+]1 ZINC000858631844 704737496 /nfs/dbraw/zinc/73/74/96/704737496.db2.gz KXFMNNFGKJNLIT-AOOOYVTPSA-N 1 0 313.379 1.185 20 5 DDBDRO Cc1ccc(S(=O)(=O)N(C)C[C@@H](C)[NH3+])c(C)c1[N+](=O)[O-] ZINC000858638694 704738264 /nfs/dbraw/zinc/73/82/64/704738264.db2.gz CMMGENDIFZWAFZ-SECBINFHSA-N 1 0 301.368 1.179 20 5 DDBDRO COc1ccc(OCC[N@@H+]2C[C@@H]3COC(=O)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000860159524 705118045 /nfs/dbraw/zinc/11/80/45/705118045.db2.gz LDZCWDCOPXDWSD-ZYHUDNBSSA-N 1 0 322.317 1.087 20 5 DDBDRO CC[C@@H]1[NH2+]CC[C@@H]1c1nc(-c2c([N+](=O)[O-])nc(C)n2C)no1 ZINC000823094032 705137262 /nfs/dbraw/zinc/13/72/62/705137262.db2.gz MKSQWXUFMVSTBD-IUCAKERBSA-N 1 0 306.326 1.542 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)OCC12CCC[NH+](CCC1)C2 ZINC000861358474 705445610 /nfs/dbraw/zinc/44/56/10/705445610.db2.gz ZMCRTDWKWWPJJB-UHFFFAOYSA-N 1 0 307.350 1.966 20 5 DDBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000824969645 705569417 /nfs/dbraw/zinc/56/94/17/705569417.db2.gz HQAMCANBYBNADM-IUODEOHRSA-N 1 0 321.377 1.619 20 5 DDBDRO C[C@H]1CCC[N@H+](CCNC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000825098961 705599470 /nfs/dbraw/zinc/59/94/70/705599470.db2.gz RAHWASLORUWKMO-SWLSCSKDSA-N 1 0 321.377 1.476 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000825188855 705619916 /nfs/dbraw/zinc/61/99/16/705619916.db2.gz QKOHCFCCBZIRID-QWRGUYRKSA-N 1 0 306.366 1.518 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000825188854 705619973 /nfs/dbraw/zinc/61/99/73/705619973.db2.gz QKOHCFCCBZIRID-MNOVXSKESA-N 1 0 306.366 1.518 20 5 DDBDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000825471958 705677293 /nfs/dbraw/zinc/67/72/93/705677293.db2.gz FVZGOJPTJOZFHC-IUODEOHRSA-N 1 0 321.377 1.475 20 5 DDBDRO O=C([C@H](O)c1cccc([N+](=O)[O-])c1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000825615259 705703208 /nfs/dbraw/zinc/70/32/08/705703208.db2.gz ORRXPRDLMPYAJL-HUUCEWRRSA-N 1 0 319.361 1.325 20 5 DDBDRO C[C@@H](CNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)[N@H+](C)C1CC1 ZINC000825664407 705710683 /nfs/dbraw/zinc/71/06/83/705710683.db2.gz FAAVRXXHNGPZMH-IINYFYTJSA-N 1 0 307.350 1.227 20 5 DDBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000826643327 705832852 /nfs/dbraw/zinc/83/28/52/705832852.db2.gz MIJIYVUCQQIIHB-CABCVRRESA-N 1 0 321.377 1.571 20 5 DDBDRO C/C(=C\C(=O)NCC[N@@H+]1CC[C@@H](O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000863319833 705900367 /nfs/dbraw/zinc/90/03/67/705900367.db2.gz PIANAICXVPDSEJ-HBIYDYFMSA-N 1 0 319.361 1.181 20 5 DDBDRO CCOC(=O)C1=CC[C@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000863577442 705962599 /nfs/dbraw/zinc/96/25/99/705962599.db2.gz ZBTLGTJIFMIDFQ-DZGCQCFKSA-N 1 0 320.345 1.870 20 5 DDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@@H]3c4ccccc4C[C@H]3O)C2)c1 ZINC000877092962 705980870 /nfs/dbraw/zinc/98/08/70/705980870.db2.gz BTXQZUJXSMHDFZ-DCNYZXSGSA-N 1 0 314.345 1.743 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000827459526 706006767 /nfs/dbraw/zinc/00/67/67/706006767.db2.gz LMLBUQVYBVEQGL-ZDUSSCGKSA-N 1 0 321.381 1.233 20 5 DDBDRO COC(=O)Cc1ccc(N(C)CC[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000827558278 706026294 /nfs/dbraw/zinc/02/62/94/706026294.db2.gz YMSDDYAGKOHIMH-UHFFFAOYSA-N 1 0 321.377 1.842 20 5 DDBDRO COC[C@]1(C(=O)NCc2ccc(C)c([N+](=O)[O-])c2)CCCC[NH2+]1 ZINC000877240697 706029966 /nfs/dbraw/zinc/02/99/66/706029966.db2.gz GVJGHHGFSDPXCS-INIZCTEOSA-N 1 0 321.377 1.678 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877279048 706046333 /nfs/dbraw/zinc/04/63/33/706046333.db2.gz BIGCYIQGGJTJSK-GXTWGEPZSA-N 1 0 323.324 1.466 20 5 DDBDRO CCOc1ccc(C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)cc1[N+](=O)[O-] ZINC000877378537 706086565 /nfs/dbraw/zinc/08/65/65/706086565.db2.gz XPDFGMWIYUMSAX-BLLLJJGKSA-N 1 0 319.361 1.675 20 5 DDBDRO O=C(CNc1ccccc1[N+](=O)[O-])N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000877395655 706094502 /nfs/dbraw/zinc/09/45/02/706094502.db2.gz LRBSVMRGDGUVIA-ZFWWWQNUSA-N 1 0 304.350 1.408 20 5 DDBDRO Cc1cncc(CC[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)n1 ZINC000877633394 706165393 /nfs/dbraw/zinc/16/53/93/706165393.db2.gz JXUSEDHSVGIAAF-UHFFFAOYSA-N 1 0 302.338 1.426 20 5 DDBDRO COC(=O)[C@@H]1OCC[C@@H]1C[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000877726908 706191638 /nfs/dbraw/zinc/19/16/38/706191638.db2.gz NPQNEKYNBZFWGO-ZWNOBZJWSA-N 1 0 312.297 1.402 20 5 DDBDRO COCC1([N@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCC1 ZINC000880186513 706904840 /nfs/dbraw/zinc/90/48/40/706904840.db2.gz ZXIGUZWCODHUPZ-CYBMUJFWSA-N 1 0 324.377 1.835 20 5 DDBDRO C[N@H+]1C[C@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3Cl)C[C@H]2C1 ZINC000834657131 707099304 /nfs/dbraw/zinc/09/93/04/707099304.db2.gz SFHPRAKURUIQRT-AOOOYVTPSA-N 1 0 309.753 1.882 20 5 DDBDRO O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000881833399 707385748 /nfs/dbraw/zinc/38/57/48/707385748.db2.gz HMMUKLOKKFXYPW-GHMZBOCLSA-N 1 0 316.361 1.143 20 5 DDBDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000837187652 707593776 /nfs/dbraw/zinc/59/37/76/707593776.db2.gz AWXNEKKIGZBJAS-GJZGRUSLSA-N 1 0 321.377 1.569 20 5 DDBDRO CCN1CC[C@H]1C[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000883354142 707983080 /nfs/dbraw/zinc/98/30/80/707983080.db2.gz MMGIALUYZKCRCP-WFASDCNBSA-N 1 0 320.393 1.996 20 5 DDBDRO CCN1CC[C@H]1C[NH2+]Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000883361035 707984463 /nfs/dbraw/zinc/98/44/63/707984463.db2.gz RNDNLUFTWPSQAV-LBPRGKRZSA-N 1 0 309.366 1.796 20 5 DDBDRO CC[N@@H+]1CC[C@H]1CNC(=O)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000883757263 708059868 /nfs/dbraw/zinc/05/98/68/708059868.db2.gz HTHZVSQQRSSMER-ZDUSSCGKSA-N 1 0 306.366 1.797 20 5 DDBDRO O=[N+]([O-])c1ccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)S3(=O)=O)cc1 ZINC000896954529 708190592 /nfs/dbraw/zinc/19/05/92/708190592.db2.gz MFVPJKVQBXBSMX-LQDVMPOASA-N 1 0 324.402 1.835 20 5 DDBDRO [NH3+]C[C@@H]1CN(Cc2cccnc2[N+](=O)[O-])C[C@H]1C(F)(F)F ZINC000886841173 708859408 /nfs/dbraw/zinc/85/94/08/708859408.db2.gz DNMVZMRAUNDPDS-NXEZZACHSA-N 1 0 304.272 1.559 20 5 DDBDRO Cn1cc(CN(CC[NH3+])Cc2cccc(Cl)c2)c([N+](=O)[O-])n1 ZINC000886865555 708871336 /nfs/dbraw/zinc/87/13/36/708871336.db2.gz OBOQBIWMIDPNKH-UHFFFAOYSA-N 1 0 323.784 1.943 20 5 DDBDRO O=C(CNc1ccccc1[N+](=O)[O-])N1CCC([NH+]2CCC2)CC1 ZINC000912881266 713113660 /nfs/dbraw/zinc/11/36/60/713113660.db2.gz SNHOZAFRTHLTIT-UHFFFAOYSA-N 1 0 318.377 1.703 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912920454 713124643 /nfs/dbraw/zinc/12/46/43/713124643.db2.gz WDYILHNQYWYRDE-NSHDSACASA-N 1 0 323.324 1.419 20 5 DDBDRO C[NH+]1C[C@@]2(C)CN(C(=O)Cc3cccc([N+](=O)[O-])c3)C[C@]2(C)C1 ZINC000913281856 713190718 /nfs/dbraw/zinc/19/07/18/713190718.db2.gz CTYONBHRGVJKLS-IRXDYDNUSA-N 1 0 317.389 1.938 20 5 DDBDRO C[C@H]1[C@H](NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC[N@@H+]1C ZINC000928438656 713195933 /nfs/dbraw/zinc/19/59/33/713195933.db2.gz GVYAKOOSOLDLNT-GXFFZTMASA-N 1 0 314.345 1.965 20 5 DDBDRO C[C@H]1[C@H](NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000928435438 713194427 /nfs/dbraw/zinc/19/44/27/713194427.db2.gz GOTSLOXNZUWBCY-JOYOIKCWSA-N 1 0 313.304 1.895 20 5 DDBDRO C[C@H]1[C@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000928444672 713199092 /nfs/dbraw/zinc/19/90/92/713199092.db2.gz LQNYSNGWTNEZQQ-NWDGAFQWSA-N 1 0 307.350 1.573 20 5 DDBDRO C[C@H](C(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1)[NH+](C)C ZINC000913386684 713206861 /nfs/dbraw/zinc/20/68/61/713206861.db2.gz YPXJFJMXWOPSGS-SSDOTTSWSA-N 1 0 303.721 1.954 20 5 DDBDRO CO[C@@H]1CC[C@@H]1[N@H+](C)Cn1nc(C)c2cc([N+](=O)[O-])cnc21 ZINC000902635600 710830797 /nfs/dbraw/zinc/83/07/97/710830797.db2.gz AWYHMDWWNQMIRW-QWHCGFSZSA-N 1 0 305.338 1.715 20 5 DDBDRO O=C(CN[C@H]1CC[NH2+]C12CCCC2)Nc1ccccc1[N+](=O)[O-] ZINC000903484537 711141412 /nfs/dbraw/zinc/14/14/12/711141412.db2.gz ASBMKISBEUPQMR-AWEZNQCLSA-N 1 0 318.377 1.798 20 5 DDBDRO O=[N+]([O-])c1ccccc1CN[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903974550 711353762 /nfs/dbraw/zinc/35/37/62/711353762.db2.gz QHZXWVSBJZWLGQ-CQSZACIVSA-N 1 0 305.378 1.843 20 5 DDBDRO CCC[C@@H]1CN(c2nccc(C(=O)OC)c2[N+](=O)[O-])CC[NH2+]1 ZINC000895059687 711391601 /nfs/dbraw/zinc/39/16/01/711391601.db2.gz VTPSELASWPEEAW-SNVBAGLBSA-N 1 0 308.338 1.355 20 5 DDBDRO COc1c(O)ccc(C[N@H+]2C[C@@H](C)[C@H](O)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000895366286 711495148 /nfs/dbraw/zinc/49/51/48/711495148.db2.gz JUWFSMBVTQUBSG-MSRIBSCDSA-N 1 0 310.350 1.758 20 5 DDBDRO O=C(NCC[NH2+]CC[N+](=O)[O-])c1cccc(Br)c1 ZINC000905082506 711930387 /nfs/dbraw/zinc/93/03/87/711930387.db2.gz SZLIOUIQNKQARD-UHFFFAOYSA-N 1 0 316.155 1.045 20 5 DDBDRO O=[N+]([O-])CC[NH2+][C@@H]1CCN(c2ccccc2Br)C1 ZINC000905105635 711938182 /nfs/dbraw/zinc/93/81/82/711938182.db2.gz XDSQIECSSZEIRC-SNVBAGLBSA-N 1 0 314.183 1.894 20 5 DDBDRO CN(C)c1ccnc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000905524618 712064435 /nfs/dbraw/zinc/06/44/35/712064435.db2.gz KFIUFXKJNNRSSA-INIZCTEOSA-N 1 0 316.361 1.879 20 5 DDBDRO CC[C@@H](CN1CCOCC1)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000905553708 712075624 /nfs/dbraw/zinc/07/56/24/712075624.db2.gz VOVSYZRLXGMIKI-HOCLYGCPSA-N 1 0 323.393 1.329 20 5 DDBDRO CCO[C@H](CNC[C@@H](O)c1cccc([N+](=O)[O-])c1)C[NH+](C)C ZINC000905577778 712084193 /nfs/dbraw/zinc/08/41/93/712084193.db2.gz BOORPHKLJLUQNL-HUUCEWRRSA-N 1 0 311.382 1.185 20 5 DDBDRO CCO[C@@H](CNC[C@@H](O)c1cccc([N+](=O)[O-])c1)C[NH+](C)C ZINC000905577779 712084228 /nfs/dbraw/zinc/08/42/28/712084228.db2.gz BOORPHKLJLUQNL-LSDHHAIUSA-N 1 0 311.382 1.185 20 5 DDBDRO [NH3+][C@@H]1CC[C@H](Cn2cc(Br)cc([N+](=O)[O-])c2=O)C1 ZINC000905731455 712133822 /nfs/dbraw/zinc/13/38/22/712133822.db2.gz LMQFFFNAKHMKLL-IONNQARKSA-N 1 0 316.155 1.646 20 5 DDBDRO C[N@@H+]1CCC[C@@H]1Cn1nc(-c2ccc([N+](=O)[O-])cc2)oc1=O ZINC000917357463 713494633 /nfs/dbraw/zinc/49/46/33/713494633.db2.gz UNAVSQRCYGLLOI-GFCCVEGCSA-N 1 0 304.306 1.506 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC[C@H]1CNC(=O)C1 ZINC000922782267 714146327 /nfs/dbraw/zinc/14/63/27/714146327.db2.gz QSGHECDBTKPLBT-LLVKDONJSA-N 1 0 307.350 1.609 20 5 DDBDRO C[C@@H]([NH2+]CC(=O)N1C[C@@H](C)O[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000932181806 714280851 /nfs/dbraw/zinc/28/08/51/714280851.db2.gz DQKPUIVHKRCHSJ-FRRDWIJNSA-N 1 0 321.377 1.881 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)CN2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000923356466 714325331 /nfs/dbraw/zinc/32/53/31/714325331.db2.gz RXWSEKQORSHOLR-HOTGVXAUSA-N 1 0 305.378 1.704 20 5 DDBDRO C[C@@H]1[NH2+]C[C@H](C)N(C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000923435250 714354798 /nfs/dbraw/zinc/35/47/98/714354798.db2.gz GBUDXTPHWARKMV-XUXIUFHCSA-N 1 0 323.393 1.405 20 5 DDBDRO O=C(CN1C[C@@H]2CC[NH2+]C[C@@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000923520911 714388961 /nfs/dbraw/zinc/38/89/61/714388961.db2.gz JXQBMVCTEZOLIR-NWDGAFQWSA-N 1 0 304.350 1.075 20 5 DDBDRO Cn1cc(C[N@@H+]2CC[C@H](Cc3nccs3)C2)c([N+](=O)[O-])n1 ZINC000934329822 714796620 /nfs/dbraw/zinc/79/66/20/714796620.db2.gz UGRYKKDACKQZFH-SNVBAGLBSA-N 1 0 307.379 1.849 20 5 DDBDRO O=C1NCC2(CCOCC2)[C@@H]1[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000925642426 714905870 /nfs/dbraw/zinc/90/58/70/714905870.db2.gz SKKFWKZRNIJBKM-CQSZACIVSA-N 1 0 319.361 1.022 20 5 DDBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)Cn2c(C)ncc2[N+](=O)[O-])C[C@H]1C ZINC000935169252 714994204 /nfs/dbraw/zinc/99/42/04/714994204.db2.gz YWZQJRPKMBNCBK-GHMZBOCLSA-N 1 0 309.370 1.041 20 5 DDBDRO [NH3+][C@]12C[C@H]1CN(C(F)(F)c1cc([N+](=O)[O-])cnc1Cl)C2 ZINC001164417969 718886772 /nfs/dbraw/zinc/88/67/72/718886772.db2.gz MAARLAAVZOAZOG-WKEGUHRASA-N 1 0 304.684 1.726 20 5 DDBDRO O=[N+]([O-])c1cnc(Cl)nc1N1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001164767099 721279246 /nfs/dbraw/zinc/27/92/46/721279246.db2.gz GCXVJELVTRAMMS-UHFFFAOYSA-N 1 0 323.784 1.960 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)Cc1cccc(C(N)=O)c1 ZINC001167147676 732765331 /nfs/dbraw/zinc/76/53/31/732765331.db2.gz ZIMDTOJTIOTRLE-UHFFFAOYSA-N 1 0 317.349 1.331 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@@H](NC(=O)CC2CCC2)C1 ZINC001021929784 733669125 /nfs/dbraw/zinc/66/91/25/733669125.db2.gz RAKZXDGUDFZVTC-TXEJJXNPSA-N 1 0 321.381 1.255 20 5 DDBDRO Cc1cc(F)ccc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001022063718 734368140 /nfs/dbraw/zinc/36/81/40/734368140.db2.gz ISUPNFGMBCKZDE-LXTVHRRPSA-N 1 0 321.352 1.536 20 5 DDBDRO Cc1cc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cs1 ZINC001022063532 734368702 /nfs/dbraw/zinc/36/87/02/734368702.db2.gz CYNDEXLUGBYMKT-YVECIDJPSA-N 1 0 309.391 1.459 20 5 DDBDRO CCOC(=O)c1cccc([N+](=O)[O-])c1-n1ccc(C[NH3+])cc1=N ZINC001167691140 736032728 /nfs/dbraw/zinc/03/27/28/736032728.db2.gz ADNWOBTXOJLMDA-UHFFFAOYSA-N 1 0 316.317 1.500 20 5 DDBDRO COC(=O)[C@@H](CCC[NH3+])Nc1cc(F)cc(F)c1[N+](=O)[O-] ZINC001167899299 739208789 /nfs/dbraw/zinc/20/87/89/739208789.db2.gz JKGPHIWEUMKKQH-SECBINFHSA-N 1 0 303.265 1.565 20 5 DDBDRO C[NH+](C)[C@@H]1C[C@@H](NC(=O)c2ccc(N)c([N+](=O)[O-])c2)C12CCC2 ZINC001168330483 742192600 /nfs/dbraw/zinc/19/26/00/742192600.db2.gz TZZYOBNCNVOKHB-ZIAGYGMSSA-N 1 0 318.377 1.780 20 5 DDBDRO Cc1cc(C)cc(CN2CC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c1 ZINC001030291958 744024891 /nfs/dbraw/zinc/02/48/91/744024891.db2.gz OWHPHTKLBJGBGS-HUUCEWRRSA-N 1 0 303.362 1.269 20 5 DDBDRO Cc1nnc([C@@H]2CC[N@H+](CCn3c(C)ncc3[N+](=O)[O-])C2)[nH]1 ZINC001195213836 746550966 /nfs/dbraw/zinc/55/09/66/746550966.db2.gz JPODTERDZCKYOA-LLVKDONJSA-N 1 0 305.342 1.016 20 5 DDBDRO O=C1OCC[C@@]12CC[N@@H+](CCOc1ccccc1[N+](=O)[O-])C2 ZINC001198810552 747619555 /nfs/dbraw/zinc/61/95/55/747619555.db2.gz MIHWBCPFLRBZEH-OAHLLOKOSA-N 1 0 306.318 1.613 20 5 DDBDRO CCOc1cc([N+](=O)[O-])ccc1-n1cc2c(n1)CC[C@@H]([NH3+])C2 ZINC001168817592 762028270 /nfs/dbraw/zinc/02/82/70/762028270.db2.gz XUCLBXMJBUZYQI-LLVKDONJSA-N 1 0 302.334 1.995 20 5 DDBDRO CC(=O)NCC[NH+]1CCC(Nc2nccc(C)c2[N+](=O)[O-])CC1 ZINC001111309562 750443674 /nfs/dbraw/zinc/44/36/74/750443674.db2.gz SLVZWNGZGSJEMQ-UHFFFAOYSA-N 1 0 321.381 1.311 20 5 DDBDRO O=C(N[C@H]1CC[C@H]([NH2+]Cc2ccccc2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001034642985 750624572 /nfs/dbraw/zinc/62/45/72/750624572.db2.gz INHJPJLSHDCIOF-KLHDSHLOSA-N 1 0 317.389 1.869 20 5 DDBDRO CCOc1cnc(N(CC[NH3+])c2cccnc2)c([N+](=O)[O-])c1 ZINC001168831072 762059355 /nfs/dbraw/zinc/05/93/55/762059355.db2.gz VZSPHSDPSXTBDZ-UHFFFAOYSA-N 1 0 303.322 1.880 20 5 DDBDRO [NH3+][C@H]1CC[C@H](N(c2ccncn2)[C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168993353 762166467 /nfs/dbraw/zinc/16/64/67/762166467.db2.gz MWMZRQZPINKODZ-AJNGGQMLSA-N 1 0 319.409 1.998 20 5 DDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+][C@@H]2CCN(Cc3ccccn3)C2)C1 ZINC001168992876 762167003 /nfs/dbraw/zinc/16/70/03/762167003.db2.gz LFVSUVVWHXVVLE-OFQRWUPVSA-N 1 0 304.394 1.691 20 5 DDBDRO CCc1nnc2ccc(C[NH2+][C@H]3CC[C@@H](C[N+](=O)[O-])C3)cn21 ZINC001168994063 762167819 /nfs/dbraw/zinc/16/78/19/762167819.db2.gz OIMRHECMUMDUQI-YPMHNXCESA-N 1 0 303.366 1.827 20 5 DDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CCC(N3CC(F)(F)C3)CC2)C1 ZINC001169034233 762189890 /nfs/dbraw/zinc/18/98/90/762189890.db2.gz GGDLPUMYMQZTFY-WCQYABFASA-N 1 0 303.353 1.847 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCC(Oc3ccncn3)CC2)C1 ZINC001169052542 762208243 /nfs/dbraw/zinc/20/82/43/762208243.db2.gz HAHKVLRGDWOOSC-OLZOCXBDSA-N 1 0 306.366 1.765 20 5 DDBDRO COc1cnc(O[C@@H]2CC[N@@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)nc1 ZINC001169054635 762210224 /nfs/dbraw/zinc/21/02/24/762210224.db2.gz NBNGEQKJJFLVTF-JHJVBQTASA-N 1 0 322.365 1.384 20 5 DDBDRO [NH3+][C@@H](CO)Cc1cncn1-c1ccc([N+](=O)[O-])c2ccccc21 ZINC001169075306 762223776 /nfs/dbraw/zinc/22/37/76/762223776.db2.gz QEVLJCNXXZMILW-LLVKDONJSA-N 1 0 312.329 1.796 20 5 DDBDRO CCC(CC)C[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001001399857 754281604 /nfs/dbraw/zinc/28/16/04/754281604.db2.gz NTSJCDYGKFQHSP-HUUCEWRRSA-N 1 0 311.426 1.916 20 5 DDBDRO [NH3+][C@H]1CCN(C2CCN(c3ncc([N+](=O)[O-])cc3F)CC2)C1 ZINC001158258873 767907165 /nfs/dbraw/zinc/90/71/65/767907165.db2.gz KXLGRHQUAIQYKR-JTQLQIEISA-N 1 0 309.345 1.131 20 5 DDBDRO [NH3+]Cc1ccc2nnn(-c3ncnc4[nH]cc([N+](=O)[O-])c43)c2c1 ZINC001170017413 763974155 /nfs/dbraw/zinc/97/41/55/763974155.db2.gz REGOMQODELKXHB-UHFFFAOYSA-N 1 0 310.277 1.059 20 5 DDBDRO O=[N+]([O-])c1cc(F)cc2ccc(NC[C@@H]3COCC[NH2+]3)nc21 ZINC001170041686 764323118 /nfs/dbraw/zinc/32/31/18/764323118.db2.gz KFJCGZIFZBJCCQ-LLVKDONJSA-N 1 0 306.297 1.682 20 5 DDBDRO COC(=O)c1c(C)c([N+](=O)[O-])ccc1NC[C@@H]1COCC[NH2+]1 ZINC001170047548 764393487 /nfs/dbraw/zinc/39/34/87/764393487.db2.gz NGKAAMGZNDOZCX-SNVBAGLBSA-N 1 0 309.322 1.090 20 5 DDBDRO COc1ccc(C[C@H](C)Nc2nccnc2C[NH3+])c([N+](=O)[O-])c1 ZINC001170315961 766246533 /nfs/dbraw/zinc/24/65/33/766246533.db2.gz ZRKXVZSUODWFTB-JTQLQIEISA-N 1 0 317.349 1.895 20 5 DDBDRO O=C(C1CC1)N1C[C@@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC001048636853 769604976 /nfs/dbraw/zinc/60/49/76/769604976.db2.gz XDLBZRLQNRABDD-GASCZTMLSA-N 1 0 315.373 1.895 20 5 DDBDRO Cc1nc(C)c(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)[nH]1 ZINC001133989911 770530462 /nfs/dbraw/zinc/53/04/62/770530462.db2.gz YUBRGHIOZMJNOR-UHFFFAOYSA-N 1 0 317.349 1.454 20 5 DDBDRO Cc1nc(NCCNC(=O)C2([NH+](C)C)CCC2)ccc1[N+](=O)[O-] ZINC001093926907 775219383 /nfs/dbraw/zinc/21/93/83/775219383.db2.gz PXPMISWHAQPTNC-UHFFFAOYSA-N 1 0 321.381 1.311 20 5 DDBDRO CC[N@H+](C)C(C)(C)C(=O)NCCNc1cc(C)c([N+](=O)[O-])cn1 ZINC001093952396 775260518 /nfs/dbraw/zinc/26/05/18/775260518.db2.gz AACHZQBOIOGXHL-UHFFFAOYSA-N 1 0 323.397 1.557 20 5 DDBDRO CC[NH+](CC)CC(=O)NCCCNc1ccc([N+](=O)[O-])cn1 ZINC001094441902 775877429 /nfs/dbraw/zinc/87/74/29/775877429.db2.gz IUFGOENAUBNLEG-UHFFFAOYSA-N 1 0 309.370 1.250 20 5 DDBDRO [NH3+]CCc1nnn([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)n1 ZINC001172902026 776915920 /nfs/dbraw/zinc/91/59/20/776915920.db2.gz TWXSQQFHGQDBIB-LBPRGKRZSA-N 1 0 302.338 1.203 20 5 DDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1CN(c2cnccn2)C1 ZINC001173215950 777048380 /nfs/dbraw/zinc/04/83/80/777048380.db2.gz BDQLUXUVYXBYJB-GFCCVEGCSA-N 1 0 313.361 1.794 20 5 DDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC1(N2CCCC2)COC1 ZINC001173217897 777049636 /nfs/dbraw/zinc/04/96/36/777049636.db2.gz NFJXEIXEXIEBTH-AWEZNQCLSA-N 1 0 319.405 1.980 20 5 DDBDRO COC(=O)[C@@H]1CC[C@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C1 ZINC001119976367 781702916 /nfs/dbraw/zinc/70/29/16/781702916.db2.gz CAPDQJSSLCHNHA-QKEWWQLBSA-N 1 0 308.338 1.426 20 5 DDBDRO C[N@H+](CCNC(=O)C1=COCCO1)Cc1ccc([N+](=O)[O-])cc1 ZINC001266252880 835990399 /nfs/dbraw/zinc/99/03/99/835990399.db2.gz DTXBRHDAQWGWMW-UHFFFAOYSA-N 1 0 321.333 1.031 20 5 DDBDRO CN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)c1cncnc1 ZINC001266681885 836659634 /nfs/dbraw/zinc/65/96/34/836659634.db2.gz GOUYXGHVRJYWJV-UHFFFAOYSA-N 1 0 315.333 1.247 20 5 DDBDRO CN(CC[NH2+]C/C=C\c1ccccc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001267371838 837933837 /nfs/dbraw/zinc/93/38/37/837933837.db2.gz XBMHNGDKYFJHJK-OVUXIIJLSA-N 1 0 303.362 1.413 20 5 DDBDRO CN(C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCC[N@H+](C)C1 ZINC001326489241 861403707 /nfs/dbraw/zinc/40/37/07/861403707.db2.gz PLPNIQUVRHFISD-KGLIPLIRSA-N 1 0 307.350 1.181 20 5 DDBDRO COC(=O)c1sc([N+](=O)[O-])cc1O[C@@H](C)C[N+](C)(C)C ZINC001227542606 843593514 /nfs/dbraw/zinc/59/35/14/843593514.db2.gz BPBGVQZAELEWOQ-QMMMGPOBSA-N 1 0 303.360 1.916 20 5 DDBDRO COc1cc(C)nc(-n2cncc2C2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001155057302 861690360 /nfs/dbraw/zinc/69/03/60/861690360.db2.gz CNBOPUBNKPFZFZ-UHFFFAOYSA-N 1 0 317.349 1.960 20 5 DDBDRO COc1nc(NCc2ccc3c(c2)CC[NH2+]C3)ncc1[N+](=O)[O-] ZINC001155266497 861912705 /nfs/dbraw/zinc/91/27/05/861912705.db2.gz ZPIMOXLGXTZRLU-UHFFFAOYSA-N 1 0 315.333 1.651 20 5 DDBDRO [NH3+][C@H]1COC[C@H]1Nc1nc(Cl)nc2ccc([N+](=O)[O-])cc21 ZINC001155345883 861980079 /nfs/dbraw/zinc/98/00/79/861980079.db2.gz MIEIKBDSGOLGOT-WCBMZHEXSA-N 1 0 309.713 1.329 20 5 DDBDRO Cc1nc(NC[C@H]2CCC3(CC[NH2+]CC3)CO2)ncc1[N+](=O)[O-] ZINC001155391346 862031771 /nfs/dbraw/zinc/03/17/71/862031771.db2.gz YVLSZAKGBLHKMA-GFCCVEGCSA-N 1 0 321.381 1.654 20 5 DDBDRO O=[N+]([O-])c1cc(Cl)cc(NCc2nnc3n2CCC[NH2+]C3)n1 ZINC001155424955 862071546 /nfs/dbraw/zinc/07/15/46/862071546.db2.gz MRJCKYSLJKDCRE-UHFFFAOYSA-N 1 0 323.744 1.340 20 5 DDBDRO O=[N+]([O-])c1cccc2ccc(N[C@H]3COCCC34C[NH2+]C4)nc21 ZINC001155462304 862114167 /nfs/dbraw/zinc/11/41/67/862114167.db2.gz PPMSYCDHCRRJRR-ZDUSSCGKSA-N 1 0 314.345 1.933 20 5 DDBDRO O=C1C[C@@H]2[NH2+]CC[C@@]2(Nc2nccc3ccc([N+](=O)[O-])cc32)N1 ZINC001155573992 862242797 /nfs/dbraw/zinc/24/27/97/862242797.db2.gz DCFDSGHIEFPWCT-WFASDCNBSA-N 1 0 313.317 1.133 20 5 DDBDRO C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)COc1ccccc1[N+](=O)[O-] ZINC001327544802 862257689 /nfs/dbraw/zinc/25/76/89/862257689.db2.gz UDKFXDYFSXUOJE-OLZOCXBDSA-N 1 0 321.377 1.963 20 5 DDBDRO C[C@H]1CN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])[C@@H](C)C[NH2+]1 ZINC001121931337 858638404 /nfs/dbraw/zinc/63/84/04/858638404.db2.gz KVMKYGLJOVNOFP-QWRGUYRKSA-N 1 0 309.341 1.875 20 5 DDBDRO C[C@@H]1C[C@H](C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)CC[NH2+]1 ZINC001121970502 858649940 /nfs/dbraw/zinc/64/99/40/858649940.db2.gz WOKSXKOVCDRXFY-VXGBXAGGSA-N 1 0 321.381 1.343 20 5 DDBDRO Cc1nn(C)cc1C(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001124960501 859855598 /nfs/dbraw/zinc/85/55/98/859855598.db2.gz DMRQDLGJRNLHJR-UHFFFAOYSA-N 1 0 317.349 1.156 20 5 DDBDRO O=[N+]([O-])c1cnc(NCCc2ccsc2)nc1C1C[NH2+]C1 ZINC001156522889 863116857 /nfs/dbraw/zinc/11/68/57/863116857.db2.gz IIKFUAYRUYMKQX-UHFFFAOYSA-N 1 0 305.363 1.788 20 5 DDBDRO COCC(=O)N(C)CC(C)(C)C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001329266943 863571242 /nfs/dbraw/zinc/57/12/42/863571242.db2.gz UHYKPVYOJQOYOQ-UHFFFAOYSA-N 1 0 323.393 1.815 20 5 DDBDRO COc1nc(N2CC[NH2+][C@H](c3ccccc3)C2)ncc1[N+](=O)[O-] ZINC001157759121 864109418 /nfs/dbraw/zinc/10/94/18/864109418.db2.gz JCRNERZNGBFDHP-LBPRGKRZSA-N 1 0 315.333 1.544 20 5 DDBDRO COc1cc(N2CCO[C@H](C[NH+]3CCCC3)C2)ncc1[N+](=O)[O-] ZINC001158310286 864566726 /nfs/dbraw/zinc/56/67/26/864566726.db2.gz YIRTWKVHAPCHGK-GFCCVEGCSA-N 1 0 322.365 1.299 20 5 DDBDRO CCOC(=O)C1(Nc2ncc(C)cc2[N+](=O)[O-])CC[NH+](C)CC1 ZINC001158568543 864732980 /nfs/dbraw/zinc/73/29/80/864732980.db2.gz JJZZRLAHQNMNRL-UHFFFAOYSA-N 1 0 322.365 1.738 20 5 DDBDRO Cc1nn(CN2CCN(c3cc[nH+]cc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC001331060869 864814735 /nfs/dbraw/zinc/81/47/35/864814735.db2.gz BOZKTKJBYLAYCV-LBPRGKRZSA-N 1 0 316.365 1.663 20 5 DDBDRO C[C@@](O)(C[C@H](O)CN1Cc2ccc([N+](=O)[O-])cc2C1)C1CC1 ZINC001331756878 865298874 /nfs/dbraw/zinc/29/88/74/865298874.db2.gz CEEXVAWXQWBVPF-JKSUJKDBSA-N 1 0 306.362 1.822 20 5 DDBDRO C[C@@H](Nc1nccc2cc([N+](=O)[O-])ccc21)[C@H]1C[NH2+]CCO1 ZINC001159499651 865353417 /nfs/dbraw/zinc/35/34/17/865353417.db2.gz BBJQJSCILDQGAE-QMTHXVAHSA-N 1 0 302.334 1.932 20 5 DDBDRO CC[C@@]([NH3+])(CO)Nc1nc(Cl)nc2ccc([N+](=O)[O-])cc21 ZINC001159744481 865498252 /nfs/dbraw/zinc/49/82/52/865498252.db2.gz WZQYPSWNAYCXCF-LBPRGKRZSA-N 1 0 311.729 1.661 20 5 DDBDRO [NH3+]C[C@@H]1COc2ccccc2N1c1nc(Cl)ncc1[N+](=O)[O-] ZINC001160196101 865719883 /nfs/dbraw/zinc/71/98/83/865719883.db2.gz RBZCDIYGRUWXBG-MRVPVSSYSA-N 1 0 321.724 1.896 20 5 DDBDRO COC(=O)c1ccc(C[NH3+])n1-c1cc(Cl)ncc1[N+](=O)[O-] ZINC001161934960 867112676 /nfs/dbraw/zinc/11/26/76/867112676.db2.gz JPKSIYLTBSIHKR-UHFFFAOYSA-N 1 0 310.697 1.679 20 5 DDBDRO COc1ncnc(N2Cc3ccccc3C[C@H]2C[NH3+])c1[N+](=O)[O-] ZINC001162744656 867796137 /nfs/dbraw/zinc/79/61/37/867796137.db2.gz WWPFSDRGWLANCI-LBPRGKRZSA-N 1 0 315.333 1.283 20 5 DDBDRO COC(=O)[C@@H](Nc1cc(F)c(OC)c([N+](=O)[O-])c1)C(C)(C)[NH3+] ZINC001162947643 867936185 /nfs/dbraw/zinc/93/61/85/867936185.db2.gz RIKXMNWWOCLLRZ-LLVKDONJSA-N 1 0 315.301 1.433 20 5 DDBDRO CCOc1cnc(NC[C@@H]2OC[C@H]3C[NH2+]CC[C@H]32)c([N+](=O)[O-])c1 ZINC001163164254 868177185 /nfs/dbraw/zinc/17/71/85/868177185.db2.gz RUOWPTKDZMLZGN-QKCSRTOESA-N 1 0 322.365 1.425 20 5 DDBDRO O=[N+]([O-])c1cc2c(ncnc2NC[C@@]23C[NH2+][C@@H](CO2)C3)s1 ZINC001163196446 868204602 /nfs/dbraw/zinc/20/46/02/868204602.db2.gz DFFUBPDKMCMEHX-JMCQJSRRSA-N 1 0 307.335 1.142 20 5 DDBDRO NC(=O)c1nc(N[C@H]2C[NH2+]Cc3ccsc32)ccc1[N+](=O)[O-] ZINC001163219779 868224177 /nfs/dbraw/zinc/22/41/77/868224177.db2.gz GJSFKYLUGOFERU-QMMMGPOBSA-N 1 0 319.346 1.407 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(NC[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)n1 ZINC001163269143 868285639 /nfs/dbraw/zinc/28/56/39/868285639.db2.gz WRVHKTWCRVOSCX-XHDPSFHLSA-N 1 0 322.365 1.569 20 5 DDBDRO CC(C)(C)[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001335459771 868314508 /nfs/dbraw/zinc/31/45/08/868314508.db2.gz WQSBFAWOBQDTSH-BFHYXJOUSA-N 1 0 310.398 1.957 20 5 DDBDRO C[C@@H](NC(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1ccccc1[N+](=O)[O-] ZINC001335623102 868434110 /nfs/dbraw/zinc/43/41/10/868434110.db2.gz XLCDKERLPJXFDQ-LYIQGSDWSA-N 1 0 304.350 1.848 20 5 DDBDRO C[NH2+]C1CN(c2nc(C(F)(F)F)nc(Cl)c2[N+](=O)[O-])C1 ZINC001163706603 868642989 /nfs/dbraw/zinc/64/29/89/868642989.db2.gz XHNSDPFXAFTAGR-UHFFFAOYSA-N 1 0 311.651 1.465 20 5 DDBDRO CC(C)(C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)n1cccn1 ZINC001336062765 868708016 /nfs/dbraw/zinc/70/80/16/868708016.db2.gz YUEQVRBBMQFGPN-AWEZNQCLSA-N 1 0 304.350 1.850 20 5 DDBDRO CCOC(=O)c1ccnc(N2C[C@@H](C)CC[C@@H]2C[NH3+])c1[N+](=O)[O-] ZINC001164076571 868927069 /nfs/dbraw/zinc/92/70/69/868927069.db2.gz FIEMTQDAXLJMNG-WDEREUQCSA-N 1 0 322.365 1.730 20 5 DDBDRO COC(=O)c1ccnc(N2CCC[C@@](C)(C[NH3+])CC2)c1[N+](=O)[O-] ZINC001164246839 869054388 /nfs/dbraw/zinc/05/43/88/869054388.db2.gz DMTRZVGOEYMESH-OAHLLOKOSA-N 1 0 322.365 1.732 20 5 DDBDRO COc1ccnc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC001336805332 869155358 /nfs/dbraw/zinc/15/53/58/869155358.db2.gz SOTGEXQDYVBYBY-HNNXBMFYSA-N 1 0 303.318 1.822 20 5 DDBDRO O=[N+]([O-])c1cc[n+]([O-])c(N2CC[NH2+][C@H](Cc3ccccc3)C2)c1 ZINC001164603882 869320900 /nfs/dbraw/zinc/32/09/00/869320900.db2.gz SNIHAOPPOCKIMR-CQSZACIVSA-N 1 0 314.345 1.249 20 5 DDBDRO Cc1ncc([N+](=O)[O-])c(N2CC[NH2+][C@H](Cc3ccccc3)C2)n1 ZINC001164608150 869324340 /nfs/dbraw/zinc/32/43/40/869324340.db2.gz OQZZXSQGEQBKGH-CQSZACIVSA-N 1 0 313.361 1.714 20 5 DDBDRO COc1nc(NCC[C@@H]2CCC[N@H+](C)C2)nc(C)c1[N+](=O)[O-] ZINC001165261936 869477030 /nfs/dbraw/zinc/47/70/30/869477030.db2.gz TVCQPBZZCNHDJN-NSHDSACASA-N 1 0 309.370 1.846 20 5 DDBDRO C[N@@H+]1CCCC[C@@H]1CNC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC001337533172 869528114 /nfs/dbraw/zinc/52/81/14/869528114.db2.gz AWCYICGDJKFHPU-GFCCVEGCSA-N 1 0 309.341 1.877 20 5 DDBDRO [NH3+]C1([C@@H]2CN(c3cc([N+](=O)[O-])c4cc[nH]c4n3)C[C@@H]2CF)CC1 ZINC001165434728 869597331 /nfs/dbraw/zinc/59/73/31/869597331.db2.gz SAUMGWPVKMIKOQ-GXSJLCMTSA-N 1 0 319.340 1.984 20 5 DDBDRO C[C@H](c1nnc(N2CCC([NH+]3CCCCC3)CC2)n1C)[N+](=O)[O-] ZINC001338210837 869869154 /nfs/dbraw/zinc/86/91/54/869869154.db2.gz XKYAGRMSBODPGS-GFCCVEGCSA-N 1 0 322.413 1.608 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@H]2CC23CCOCC3)c1 ZINC001338518471 870025376 /nfs/dbraw/zinc/02/53/76/870025376.db2.gz JFMRGWKFRRPTBB-HIFRSBDPSA-N 1 0 322.361 1.493 20 5 DDBDRO CN(C)/C=C/c1cc(N(C)C[C@@H]2CC[NH2+]C2)ncc1[N+](=O)[O-] ZINC001166957984 870420907 /nfs/dbraw/zinc/42/09/07/870420907.db2.gz NFKXJXJPALXRIW-HOSRBBHYSA-N 1 0 305.382 1.568 20 5 DDBDRO CCn1c([C@@H](C)[N+](=O)[O-])nnc1N1CC[NH+](CC2CC2)CC1 ZINC001339466120 870512002 /nfs/dbraw/zinc/51/20/02/870512002.db2.gz FIDNSPFTSRWDQV-LLVKDONJSA-N 1 0 308.386 1.168 20 5 DDBDRO CN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)c1cc(F)c[nH]1 ZINC001317612670 871203118 /nfs/dbraw/zinc/20/31/18/871203118.db2.gz VWXFTAWFRDWJBF-UHFFFAOYSA-N 1 0 320.324 1.924 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC001340605408 871227374 /nfs/dbraw/zinc/22/73/74/871227374.db2.gz YOPKCGDXPCTONL-IUCAKERBSA-N 1 0 320.271 1.285 20 5 DDBDRO O=C([C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001340750076 871328537 /nfs/dbraw/zinc/32/85/37/871328537.db2.gz CQUHVITWOYEMDT-OSRDXIQISA-N 1 0 301.346 1.661 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1C[C@@H](CO)[C@H](CCO)C1 ZINC001308982660 871544755 /nfs/dbraw/zinc/54/47/55/871544755.db2.gz FVLIVSWWJKWIIW-KGLIPLIRSA-N 1 0 308.378 1.634 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001341272543 871585285 /nfs/dbraw/zinc/58/52/85/871585285.db2.gz SXXQVYVPSQAZMO-WDEREUQCSA-N 1 0 323.324 1.181 20 5 DDBDRO C[C@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[NH+](C)CC1 ZINC001318213550 871836780 /nfs/dbraw/zinc/83/67/80/871836780.db2.gz FMAKHUAIOQNRNO-GFCCVEGCSA-N 1 0 321.381 1.352 20 5 DDBDRO COc1cccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)c1Cl ZINC001226633004 882552454 /nfs/dbraw/zinc/55/24/54/882552454.db2.gz HKRUMDUNSRSTGQ-SNVBAGLBSA-N 1 0 302.778 1.711 20 5 DDBDRO C[C@@H]1CN(C(=O)CCc2c(Cl)cccc2[N+](=O)[O-])C[C@H]1[NH3+] ZINC001342648720 872313737 /nfs/dbraw/zinc/31/37/37/872313737.db2.gz JRJFXBPCDOLFQK-BXKDBHETSA-N 1 0 311.769 1.986 20 5 DDBDRO C[C@H]1CN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC[C@@H]1C[NH3+] ZINC001342650102 872317039 /nfs/dbraw/zinc/31/70/39/872317039.db2.gz XWMRLFUOXMLRGY-NWDGAFQWSA-N 1 0 307.350 1.417 20 5 DDBDRO COc1cc([N+](=O)[O-])cnc1NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001343018565 872470540 /nfs/dbraw/zinc/47/05/40/872470540.db2.gz ABXKYYLTUQNBLD-LBPRGKRZSA-N 1 0 324.381 1.911 20 5 DDBDRO COC[C@@H]1C[NH2+]CCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC001343057484 872485626 /nfs/dbraw/zinc/48/56/26/872485626.db2.gz ZHXXBSRWYSCMMV-LBPRGKRZSA-N 1 0 319.317 1.401 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC001343088481 872495045 /nfs/dbraw/zinc/49/50/45/872495045.db2.gz YSMSXQRONVXJPV-LBPRGKRZSA-N 1 0 320.393 1.923 20 5 DDBDRO [NH3+]C[C@H]1CC[C@H](NC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001345153433 873276306 /nfs/dbraw/zinc/27/63/06/873276306.db2.gz KPOLGOOLMBKKNK-GWCFXTLKSA-N 1 0 304.350 1.747 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@@H+]2CC[C@H]1C2 ZINC001346236992 873661310 /nfs/dbraw/zinc/66/13/10/873661310.db2.gz DVLGIGXIQDNAEP-NSHDSACASA-N 1 0 306.322 1.525 20 5 DDBDRO COC1CCN(CC[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001346265023 873676291 /nfs/dbraw/zinc/67/62/91/873676291.db2.gz SAVZIGNOIOZKGU-INIZCTEOSA-N 1 0 323.393 1.329 20 5 DDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC001348969843 874902552 /nfs/dbraw/zinc/90/25/52/874902552.db2.gz JICKUAJEBJEVGG-XHDPSFHLSA-N 1 0 318.377 1.803 20 5 DDBDRO C[NH2+][C@@H](C)CCNS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC001349307259 875105171 /nfs/dbraw/zinc/10/51/71/875105171.db2.gz QHSVURAQQMTGEX-JTQLQIEISA-N 1 0 315.395 1.488 20 5 DDBDRO CC[NH+](CC)CC[C@H](C)NC(=O)c1ccnc(NC)c1[N+](=O)[O-] ZINC001349879256 875429759 /nfs/dbraw/zinc/42/97/59/875429759.db2.gz GVPUAFKVERBQNU-NSHDSACASA-N 1 0 323.397 1.882 20 5 DDBDRO C[NH+](C)CC(C)(C)C1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC001350741186 875864942 /nfs/dbraw/zinc/86/49/42/875864942.db2.gz NMRCGWNJXQSLKI-UHFFFAOYSA-N 1 0 323.397 1.758 20 5 DDBDRO [NH3+][C@@H](Cc1nnc([C@H]2CCOC2)o1)Cc1ccc([N+](=O)[O-])cc1 ZINC001217716734 877286457 /nfs/dbraw/zinc/28/64/57/877286457.db2.gz PZMXPZUVJZICBR-NWDGAFQWSA-N 1 0 318.333 1.594 20 5 DDBDRO Cc1ccnc2cc(OC(=O)C[C@@H](O)C[N+](C)(C)C)ccc12 ZINC001228737292 883649063 /nfs/dbraw/zinc/64/90/63/883649063.db2.gz QMENSTRXEAQRJH-CYBMUJFWSA-N 1 0 303.382 1.906 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])ccc1OCC[N@H+]1CC[C@@H](OC)C1 ZINC001229060009 883796003 /nfs/dbraw/zinc/79/60/03/883796003.db2.gz ZBRXIAXKFMISPL-GFCCVEGCSA-N 1 0 324.333 1.481 20 5 DDBDRO O=[N+]([O-])c1c[n+]([O-])ccc1O[C@H]1CC[C@@H]([NH+]2CCOCC2)CC1 ZINC001229453993 883992116 /nfs/dbraw/zinc/99/21/16/883992116.db2.gz COZYDNLLAFOJPI-BETUJISGSA-N 1 0 323.349 1.250 20 5 DDBDRO CC(=O)Nc1ccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)c(C)c1 ZINC001234601609 888132700 /nfs/dbraw/zinc/13/27/00/888132700.db2.gz OKJVVYLNRCYHJA-CQSZACIVSA-O 1 0 309.386 1.316 20 5 DDBDRO COC(=O)[C@H](CCCC[NH3+])N[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001246149211 892443999 /nfs/dbraw/zinc/44/39/99/892443999.db2.gz APCOTOQXFZVYHD-HIFRSBDPSA-N 1 0 321.377 1.322 20 5 DDBDRO [NH3+][C@H]1C[C@@H](F)CN(C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001246578595 892711060 /nfs/dbraw/zinc/71/10/60/892711060.db2.gz WCEMRVOFQFFUMG-OLZOCXBDSA-N 1 0 322.384 1.935 20 5 DDBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc(CC2CC3(C[NH2+]C3)C2)n1 ZINC001247882922 893456661 /nfs/dbraw/zinc/45/66/61/893456661.db2.gz QLZSEGUEGGGPLI-UHFFFAOYSA-N 1 0 319.296 1.721 20 5 DDBDRO [NH3+]CCNCc1nc(-c2ccc3ccc4cccnc4c3n2)no1 ZINC001249266356 893903150 /nfs/dbraw/zinc/90/31/50/893903150.db2.gz JSQZKYVDHKTWDA-UHFFFAOYSA-N 1 0 320.356 1.881 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCc2nncn2CC1 ZINC001254553496 896499375 /nfs/dbraw/zinc/49/93/75/896499375.db2.gz WDLGOACBEBESKM-GFCCVEGCSA-N 1 0 301.350 1.676 20 5 DDBDRO CC(C)N1C[C@@H]([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1=O ZINC001254573782 896507137 /nfs/dbraw/zinc/50/71/37/896507137.db2.gz CFMHKXWEQYPOCB-KBPBESRZSA-N 1 0 303.362 1.661 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]C1CN(c3cnccn3)C1)C2 ZINC001254578559 896510464 /nfs/dbraw/zinc/51/04/64/896510464.db2.gz MGNSTKHZYHFYAZ-CYBMUJFWSA-N 1 0 311.345 1.330 20 5 DDBDRO O=C1CC2(CN1)CC[NH+]([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)CC2 ZINC001254599730 896524629 /nfs/dbraw/zinc/52/46/29/896524629.db2.gz PMEFKLQNNVRMHD-OAHLLOKOSA-N 1 0 315.373 1.664 20 5 DDBDRO CC[N@@H+]1CCC[C@H](CNc2ccc3ncc([N+](=O)[O-])n3n2)C1 ZINC001261648132 899681440 /nfs/dbraw/zinc/68/14/40/899681440.db2.gz TUPDZMXDQNFETK-LLVKDONJSA-N 1 0 304.354 1.781 20 5 DDBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001262033213 899904628 /nfs/dbraw/zinc/90/46/28/899904628.db2.gz SLPDYLGTSXGEPB-CQSZACIVSA-N 1 0 304.350 1.714 20 5 DDBDRO C[N@@H+]1CCCC[C@@H]1CNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC001262653900 900286218 /nfs/dbraw/zinc/28/62/18/900286218.db2.gz SNFWAPWLJSKNBW-CYBMUJFWSA-N 1 0 307.350 1.574 20 5 DDBDRO COC[C@H](C)OC[C@@H](O)C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000278442465 214156907 /nfs/dbraw/zinc/15/69/07/214156907.db2.gz WKHUCHBOKGRWHE-XQQFMLRXSA-N 1 0 312.366 1.658 20 5 DDBDRO CC[C@H](CO)[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000295836663 529381919 /nfs/dbraw/zinc/38/19/19/529381919.db2.gz ZCRZEJZWPHYQBH-GFCCVEGCSA-N 1 0 309.366 1.935 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000424052821 282167670 /nfs/dbraw/zinc/16/76/70/282167670.db2.gz NIGAVZWGJMNDLP-SCVCMEIPSA-N 1 0 306.366 1.744 20 5 DDBDRO Cc1cc(C)c(S(=O)(=O)NC[C@H](C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000451929512 231237681 /nfs/dbraw/zinc/23/76/81/231237681.db2.gz LYZIDBHTCDIESH-NSHDSACASA-N 1 0 315.395 1.440 20 5 DDBDRO O=C(Cc1ccccc1[N+](=O)[O-])NC[C@H]1CCC[N@H+]1CCCO ZINC000452345773 231354177 /nfs/dbraw/zinc/35/41/77/231354177.db2.gz FTSXFBRLCFOOHM-CQSZACIVSA-N 1 0 321.377 1.100 20 5 DDBDRO CC[C@@]1(O)CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000495209544 529573472 /nfs/dbraw/zinc/57/34/72/529573472.db2.gz BCNULLOPQBLBQU-OAHLLOKOSA-N 1 0 307.350 1.770 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@H]1C[NH+]1CCCC1 ZINC000090525006 185300240 /nfs/dbraw/zinc/30/02/40/185300240.db2.gz TZWTVJRDPOERHK-AWEZNQCLSA-N 1 0 320.393 1.317 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000090550245 185302457 /nfs/dbraw/zinc/30/24/57/185302457.db2.gz IGPUKPJWPPTCRV-AWEZNQCLSA-N 1 0 320.393 1.174 20 5 DDBDRO CN(C)c1cc(F)c(C(=O)N2CC([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000295512550 282278332 /nfs/dbraw/zinc/27/83/32/282278332.db2.gz LQYBRWFQFGIASQ-UHFFFAOYSA-N 1 0 310.329 1.186 20 5 DDBDRO CCc1n[nH]c(C(=O)NCC[C@@H](C)[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000182918343 199510337 /nfs/dbraw/zinc/51/03/37/199510337.db2.gz MOSGQORVCVWJHD-LLVKDONJSA-N 1 0 323.397 1.875 20 5 DDBDRO CN(CC[NH+](C)C)c1ncc([N+](=O)[O-])cc1Br ZINC000267257644 282305568 /nfs/dbraw/zinc/30/55/68/282305568.db2.gz POXIPVHMDLVJEP-UHFFFAOYSA-N 1 0 303.160 1.750 20 5 DDBDRO C[NH2+]C1CCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000430943507 529956069 /nfs/dbraw/zinc/95/60/69/529956069.db2.gz PHSPHUHZRHBNII-LBPRGKRZSA-N 1 0 320.393 1.914 20 5 DDBDRO CC[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccs1 ZINC000049530319 190678256 /nfs/dbraw/zinc/67/82/56/190678256.db2.gz NIWCOMNHPBCZJE-NEPJUHHUSA-N 1 0 310.379 1.955 20 5 DDBDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC000422889085 529990347 /nfs/dbraw/zinc/99/03/47/529990347.db2.gz FCKZMZJFFYYRES-LBPRGKRZSA-N 1 0 307.350 1.736 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H](O)CC1 ZINC000293025974 282361316 /nfs/dbraw/zinc/36/13/16/282361316.db2.gz FVSVUIIQRSXRBT-CHWSQXEVSA-N 1 0 310.350 1.181 20 5 DDBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)N2CCNC2=O)cc1[N+](=O)[O-] ZINC000181817154 199356583 /nfs/dbraw/zinc/35/65/83/199356583.db2.gz ADHVYGHKIFTEQN-JTQLQIEISA-N 1 0 306.322 1.106 20 5 DDBDRO CCOC1CC([N@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000287000831 219263417 /nfs/dbraw/zinc/26/34/17/219263417.db2.gz QBKCTQBSSWMQDW-BBBYJDLNSA-N 1 0 324.377 1.834 20 5 DDBDRO C[NH+](C)CC(C)(C)NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000459544710 233295975 /nfs/dbraw/zinc/29/59/75/233295975.db2.gz FFNWCAJRBSHDBS-UHFFFAOYSA-N 1 0 320.393 1.414 20 5 DDBDRO CNC(=O)OC[C@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000287101214 219314527 /nfs/dbraw/zinc/31/45/27/219314527.db2.gz XTVTYGGCSSRBAB-LLVKDONJSA-N 1 0 311.342 1.002 20 5 DDBDRO Cc1nn(C)c(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000155768471 186111625 /nfs/dbraw/zinc/11/16/25/186111625.db2.gz KCTHFDRRDGIYLI-NEPJUHHUSA-N 1 0 321.381 1.193 20 5 DDBDRO CC[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000172019062 198026581 /nfs/dbraw/zinc/02/65/81/198026581.db2.gz HDOZLZZBZCRNJF-UHFFFAOYSA-N 1 0 301.368 1.133 20 5 DDBDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000487437511 233800959 /nfs/dbraw/zinc/80/09/59/233800959.db2.gz ILZZPABOALXJNE-VXGBXAGGSA-N 1 0 323.397 1.515 20 5 DDBDRO COc1cc(C(=O)NCC[NH+]2CCCC2)c([N+](=O)[O-])cc1OC ZINC000072634386 191205333 /nfs/dbraw/zinc/20/53/33/191205333.db2.gz PKZNCZCYGAGPIH-UHFFFAOYSA-N 1 0 323.349 1.438 20 5 DDBDRO C[C@H](Cc1ccsc1)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000049181770 352552490 /nfs/dbraw/zinc/55/24/90/352552490.db2.gz MGLSQRQJOYEGFC-MFKMUULPSA-N 1 0 310.379 1.435 20 5 DDBDRO CNC(=O)c1ccc(N2CCC(C[NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000053572957 352661061 /nfs/dbraw/zinc/66/10/61/352661061.db2.gz ZGZZEQISNSWWBV-UHFFFAOYSA-N 1 0 320.393 1.732 20 5 DDBDRO CCN1CC[NH+](C[C@@H](C)CNc2ccncc2[N+](=O)[O-])CC1 ZINC000060380151 352869837 /nfs/dbraw/zinc/86/98/37/352869837.db2.gz MMESHNQJVOFVTO-ZDUSSCGKSA-N 1 0 307.398 1.675 20 5 DDBDRO C[N@H+](CCNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)C1CC1 ZINC000066631300 353008904 /nfs/dbraw/zinc/00/89/04/353008904.db2.gz WJGLSPVBSYFTFO-UHFFFAOYSA-N 1 0 321.333 1.190 20 5 DDBDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000067633736 353058978 /nfs/dbraw/zinc/05/89/78/353058978.db2.gz YYXMFCRXDFEDBW-ZDUSSCGKSA-N 1 0 321.377 1.820 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000067795914 353067591 /nfs/dbraw/zinc/06/75/91/353067591.db2.gz NGZCCQJLIFHMAS-UKRRQHHQSA-N 1 0 319.361 1.960 20 5 DDBDRO CC[N@H+](C)CCNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000068468055 353113340 /nfs/dbraw/zinc/11/33/40/353113340.db2.gz JGSLDYQFMWJVID-UHFFFAOYSA-N 1 0 304.350 1.617 20 5 DDBDRO C[NH+](C)[C@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)C1CC1 ZINC000068180731 353093999 /nfs/dbraw/zinc/09/39/99/353093999.db2.gz RDMNYQHPJFVUJO-GFCCVEGCSA-N 1 0 310.329 1.386 20 5 DDBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000068211117 353096172 /nfs/dbraw/zinc/09/61/72/353096172.db2.gz VKEZKUZPFPNOCX-CHWSQXEVSA-N 1 0 323.397 1.418 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000068226859 353097507 /nfs/dbraw/zinc/09/75/07/353097507.db2.gz KVLSOTTXTCJKNJ-NWDGAFQWSA-N 1 0 323.397 1.336 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[NH+](C(C)C)CC1 ZINC000068575340 353121528 /nfs/dbraw/zinc/12/15/28/353121528.db2.gz BOWXJRLUCJVHBE-UHFFFAOYSA-N 1 0 309.370 1.042 20 5 DDBDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000069502710 353164450 /nfs/dbraw/zinc/16/44/50/353164450.db2.gz XIQBPKSNGCSNLQ-CQSZACIVSA-N 1 0 321.377 1.744 20 5 DDBDRO Nc1cc(N)[nH+]c(SCC(=O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000071258546 353192055 /nfs/dbraw/zinc/19/20/55/353192055.db2.gz BNVFZBZGFCFEFY-UHFFFAOYSA-N 1 0 305.319 1.524 20 5 DDBDRO O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCC[N@H+]1CC=CCC1 ZINC000491989714 234352768 /nfs/dbraw/zinc/35/27/68/234352768.db2.gz HTOPRPAXZVCTES-BQYQJAHWSA-N 1 0 301.346 1.986 20 5 DDBDRO CNC(=O)c1ccc(NCC[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000076921337 353442764 /nfs/dbraw/zinc/44/27/64/353442764.db2.gz RKMKTOFYNOEGCR-UHFFFAOYSA-N 1 0 306.366 1.852 20 5 DDBDRO CNc1ccc(C(=O)NC[C@H](C2CC2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000076925543 353443398 /nfs/dbraw/zinc/44/33/98/353443398.db2.gz IPMINBSRCKCLKF-CQSZACIVSA-N 1 0 306.366 1.707 20 5 DDBDRO CCCCNC(=O)[C@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174836897 198391457 /nfs/dbraw/zinc/39/14/57/198391457.db2.gz OHJZKUWNNXVGAB-ZDUSSCGKSA-N 1 0 323.397 1.420 20 5 DDBDRO CC[NH+](CC)[C@H]1CCN(c2ccc(C(=O)NC)cc2[N+](=O)[O-])C1 ZINC000078575793 353523044 /nfs/dbraw/zinc/52/30/44/353523044.db2.gz WDORJSLSPNBTHY-ZDUSSCGKSA-N 1 0 320.393 1.875 20 5 DDBDRO C[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000079554573 353567619 /nfs/dbraw/zinc/56/76/19/353567619.db2.gz JIUGHIHINDJBTI-MIGQKNRLSA-N 1 0 317.389 1.821 20 5 DDBDRO COc1cc(C(=O)NC[C@@H](C2CC2)[NH+](C)C)cc([N+](=O)[O-])c1C ZINC000358614075 299207725 /nfs/dbraw/zinc/20/77/25/299207725.db2.gz SKGBHYOGTISTST-AWEZNQCLSA-N 1 0 321.377 1.982 20 5 DDBDRO CC(C)[N@H+](CCO)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000085860271 353737760 /nfs/dbraw/zinc/73/77/60/353737760.db2.gz SRIKZIXRRRNPGZ-UHFFFAOYSA-N 1 0 323.349 1.596 20 5 DDBDRO Cc1cc(NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)ccc1[N+](=O)[O-] ZINC000092642227 353865108 /nfs/dbraw/zinc/86/51/08/353865108.db2.gz LFLQMISBZFBRNX-CYBMUJFWSA-N 1 0 320.393 1.903 20 5 DDBDRO Cc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@H]2[NH3+])c([N+](=O)[O-])c1 ZINC000123283675 354031109 /nfs/dbraw/zinc/03/11/09/354031109.db2.gz XXQJZJATVWMMMR-GHMZBOCLSA-N 1 0 313.379 1.451 20 5 DDBDRO [NH3+][C@@H]1CCC[C@@H](NS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000125088298 354044320 /nfs/dbraw/zinc/04/43/20/354044320.db2.gz HBHUGBOQLIRJGN-VXGBXAGGSA-N 1 0 313.379 1.284 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCN(C(C)=O)C1 ZINC000152923505 354195233 /nfs/dbraw/zinc/19/52/33/354195233.db2.gz ZECNBVDFGJLLCP-CYBMUJFWSA-N 1 0 307.350 1.704 20 5 DDBDRO CN(CC(=O)N[C@H]1CCC[C@@H]([NH3+])C1)c1ccccc1[N+](=O)[O-] ZINC000275811468 354412406 /nfs/dbraw/zinc/41/24/06/354412406.db2.gz VBKDLEZUINEHLT-NEPJUHHUSA-N 1 0 306.366 1.417 20 5 DDBDRO Cc1cc(N2CCC(O)(CO)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000313640517 354481443 /nfs/dbraw/zinc/48/14/43/354481443.db2.gz PBDPPDVWXFZUSF-UHFFFAOYSA-N 1 0 317.345 1.775 20 5 DDBDRO O=C(NCc1ccccc1[N+](=O)[O-])[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000315079742 354490854 /nfs/dbraw/zinc/49/08/54/354490854.db2.gz YXDRGXJSAKIWRR-GFCCVEGCSA-N 1 0 317.267 1.753 20 5 DDBDRO COCC[N@H+](C)C[C@@H](O)COc1cc(C)c([N+](=O)[O-])cc1F ZINC000319560817 354522488 /nfs/dbraw/zinc/52/24/88/354522488.db2.gz PEGUEGSAJUBZRW-LLVKDONJSA-N 1 0 316.329 1.360 20 5 DDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000401473863 354664018 /nfs/dbraw/zinc/66/40/18/354664018.db2.gz IWJJPCSSNQIVAU-CQSZACIVSA-N 1 0 303.362 1.928 20 5 DDBDRO O=C(Cc1ccccc1[N+](=O)[O-])N[C@@H]1CC[NH2+]C12CCCC2 ZINC000401471005 354664335 /nfs/dbraw/zinc/66/43/35/354664335.db2.gz HRICEKIVDMPYBP-CQSZACIVSA-N 1 0 303.362 1.928 20 5 DDBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1c1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000588071918 354899513 /nfs/dbraw/zinc/89/95/13/354899513.db2.gz ZHGIUQBTWVCROV-BXUZGUMPSA-N 1 0 320.393 1.732 20 5 DDBDRO CC(C)(C)C1=CC[N@H+](CCNC(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC000588687366 354929603 /nfs/dbraw/zinc/92/96/03/354929603.db2.gz ROUBWJGPKKMEOJ-UHFFFAOYSA-N 1 0 321.381 1.726 20 5 DDBDRO Cc1c(C(=O)N2CC[C@@H]([N@@H+]3CC[C@H](O)C3)C2)cccc1[N+](=O)[O-] ZINC000588860602 354943727 /nfs/dbraw/zinc/94/37/27/354943727.db2.gz JYQOATUSLJYVOG-OLZOCXBDSA-N 1 0 319.361 1.184 20 5 DDBDRO C[NH+](C)C[C@@H](CO)NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000588863809 354944411 /nfs/dbraw/zinc/94/44/11/354944411.db2.gz UNLFOROYELNLCY-LBPRGKRZSA-N 1 0 323.393 1.545 20 5 DDBDRO CC[C@H]1C[N@H+](Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C[C@H]1O ZINC000589505438 354997669 /nfs/dbraw/zinc/99/76/69/354997669.db2.gz IHHOEQQDYYBZGI-IINYFYTJSA-N 1 0 308.334 1.584 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@H]([C@H](C)O)C2)c1 ZINC000589510627 354998244 /nfs/dbraw/zinc/99/82/44/354998244.db2.gz BIRNOFJFECCVKQ-AAEUAGOBSA-N 1 0 322.361 1.974 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(CN(C)CC[NH+]2CCCC2)c1 ZINC000589518378 354999109 /nfs/dbraw/zinc/99/91/09/354999109.db2.gz KKBSJCQKOUTPEX-UHFFFAOYSA-N 1 0 321.377 1.909 20 5 DDBDRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000589528901 355000192 /nfs/dbraw/zinc/00/01/92/355000192.db2.gz PIRJBWZSHDOVNU-LLVKDONJSA-N 1 0 317.349 1.568 20 5 DDBDRO C[N@@H+]1C[C@H]2CCN(CCC(=O)Nc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000590011102 355040569 /nfs/dbraw/zinc/04/05/69/355040569.db2.gz HUKWCDIBACTPPT-DOMZBBRYSA-N 1 0 318.377 1.559 20 5 DDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)C[C@H]1CCOC1 ZINC000494957217 235107346 /nfs/dbraw/zinc/10/73/46/235107346.db2.gz NSWXHYMFZIQFRE-VXGBXAGGSA-N 1 0 307.350 1.890 20 5 DDBDRO C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc4c(cc3[N+](=O)[O-])OCO4)[C@@H]2C1 ZINC000590442265 355096849 /nfs/dbraw/zinc/09/68/49/355096849.db2.gz FCGFGKYRIZNOIE-JOYOIKCWSA-N 1 0 319.317 1.100 20 5 DDBDRO COc1cc(CNC[C@@H]2CCCC[NH2+]2)c([N+](=O)[O-])cc1OC ZINC000591275582 355275481 /nfs/dbraw/zinc/27/54/81/355275481.db2.gz GKDQUUQRVXYPOC-LBPRGKRZSA-N 1 0 309.366 1.844 20 5 DDBDRO CC[C@H]1CN(C(=O)NCCc2ccccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000591353215 355296702 /nfs/dbraw/zinc/29/67/02/355296702.db2.gz ABQAZKJGFBLGSA-GXTWGEPZSA-N 1 0 320.393 1.906 20 5 DDBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000591360501 355300871 /nfs/dbraw/zinc/30/08/71/355300871.db2.gz CBTRKSBKTFFNQR-CQSZACIVSA-N 1 0 320.393 1.921 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1N1CCN([C@H]3CC[NH2+]C3)CC1)CCN2 ZINC000591440969 355312076 /nfs/dbraw/zinc/31/20/76/355312076.db2.gz XGFJXMKITALYJP-LBPRGKRZSA-N 1 0 317.393 1.047 20 5 DDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000591442955 355312086 /nfs/dbraw/zinc/31/20/86/355312086.db2.gz YBVWEFPXFMKMSY-ZDUSSCGKSA-N 1 0 307.398 1.946 20 5 DDBDRO COc1ccc(OCCN2CC[C@H]3CC[NH2+][C@H]3C2)c([N+](=O)[O-])c1 ZINC000591449335 355314420 /nfs/dbraw/zinc/31/44/20/355314420.db2.gz VNQANHSUAVVROG-OCCSQVGLSA-N 1 0 321.377 1.666 20 5 DDBDRO CN(C[C@@H]1CCC[N@@H+]1C)c1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000591464147 355317020 /nfs/dbraw/zinc/31/70/20/355317020.db2.gz AVSXBHWGDRRQFX-JTQLQIEISA-N 1 0 317.349 1.774 20 5 DDBDRO C[C@@H]1[NH2+]CCC[C@@H]1NCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000591279363 355276841 /nfs/dbraw/zinc/27/68/41/355276841.db2.gz QDXKQOYRONXXOG-JQWIXIFHSA-N 1 0 307.350 1.596 20 5 DDBDRO CC[C@H]1CN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000591304001 355285587 /nfs/dbraw/zinc/28/55/87/355285587.db2.gz JIXSJYMQHDTUEL-GXFFZTMASA-N 1 0 320.349 1.119 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[NH2+]C[C@@H](O)CCc2ccccc2)c1 ZINC000591756768 355377920 /nfs/dbraw/zinc/37/79/20/355377920.db2.gz ZUOZOGDTMOCQSE-HNNXBMFYSA-N 1 0 304.350 1.375 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CC2(C3CCC3)CCC2)c1 ZINC000591771227 355381831 /nfs/dbraw/zinc/38/18/31/355381831.db2.gz WNVKUJGNTFGRIH-CQSZACIVSA-N 1 0 308.382 1.712 20 5 DDBDRO COc1ccc(CC(=O)N2CCCC[C@@H]2CC[NH3+])cc1[N+](=O)[O-] ZINC000591684145 355361680 /nfs/dbraw/zinc/36/16/80/355361680.db2.gz MQCNRGIQOVBFKP-CYBMUJFWSA-N 1 0 321.377 1.876 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCCC[C@@H]2C2CCC2)c1 ZINC000592198752 355534188 /nfs/dbraw/zinc/53/41/88/355534188.db2.gz RUQZTPIGHVQUAO-HUUCEWRRSA-N 1 0 308.382 1.807 20 5 DDBDRO O=C(c1n[nH]cc1[N+](=O)[O-])N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592254909 355547567 /nfs/dbraw/zinc/54/75/67/355547567.db2.gz LPWKTFZPCGNSGA-GHMZBOCLSA-N 1 0 307.354 1.170 20 5 DDBDRO Cc1ccc(CN2CN(CC[NH+](C)C)C(=O)[C@@H]2C)cc1[N+](=O)[O-] ZINC000592523785 355611680 /nfs/dbraw/zinc/61/16/80/355611680.db2.gz BSYQCWLPIGLTRE-ZDUSSCGKSA-N 1 0 320.393 1.455 20 5 DDBDRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1Cc1ccc([N+](=O)[O-])cc1 ZINC000592525278 355613109 /nfs/dbraw/zinc/61/31/09/355613109.db2.gz OCBPUOZMDXZDRK-GFCCVEGCSA-N 1 0 306.366 1.147 20 5 DDBDRO CC[C@H]1CN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000592544949 355623320 /nfs/dbraw/zinc/62/33/20/355623320.db2.gz KNFOCADXOGYYNG-STQMWFEESA-N 1 0 320.393 1.617 20 5 DDBDRO [NH3+]Cc1ccc(C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)o1 ZINC000592562097 355629601 /nfs/dbraw/zinc/62/96/01/355629601.db2.gz CZZXQBNCLFKINL-UHFFFAOYSA-N 1 0 302.290 1.240 20 5 DDBDRO O=C(COc1ccccc1[N+](=O)[O-])N[C@@H]1CC[NH2+]C12CCCC2 ZINC000592571155 355633373 /nfs/dbraw/zinc/63/33/73/355633373.db2.gz SSSFXGBVTKUCKW-CQSZACIVSA-N 1 0 319.361 1.765 20 5 DDBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593573234 355930393 /nfs/dbraw/zinc/93/03/93/355930393.db2.gz VWKNNMAZCWBHRY-GHMZBOCLSA-N 1 0 309.341 1.827 20 5 DDBDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)Cc3ccc(F)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000593744193 355983610 /nfs/dbraw/zinc/98/36/10/355983610.db2.gz OYEHHHVRNWBVSO-SWLSCSKDSA-N 1 0 321.352 1.829 20 5 DDBDRO Cc1c(CNC(=O)NCCC2(C[NH3+])CC2)cccc1[N+](=O)[O-] ZINC000593707656 355972995 /nfs/dbraw/zinc/97/29/95/355972995.db2.gz KEHXTSKNQCPLLA-UHFFFAOYSA-N 1 0 306.366 1.831 20 5 DDBDRO Cc1ccc([C@H](C)NC(=O)[C@@H](N)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000593905953 356051675 /nfs/dbraw/zinc/05/16/75/356051675.db2.gz PWCRJGQUKXMULP-AAEUAGOBSA-N 1 0 308.382 1.359 20 5 DDBDRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000593918607 356060901 /nfs/dbraw/zinc/06/09/01/356060901.db2.gz GRMJVMVEYJOUKS-NTZNESFSSA-N 1 0 323.349 1.689 20 5 DDBDRO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])n1C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000594108050 356114839 /nfs/dbraw/zinc/11/48/39/356114839.db2.gz PHOHVBGMMQJNRU-UTUOFQBUSA-N 1 0 324.381 1.161 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000601329861 358500530 /nfs/dbraw/zinc/50/05/30/358500530.db2.gz NMVWBEMDDJKZHE-TXEJJXNPSA-N 1 0 304.350 1.278 20 5 DDBDRO CC[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)[C@H]1CCCCO1 ZINC000594042637 356097419 /nfs/dbraw/zinc/09/74/19/356097419.db2.gz MBFVVZXMMFOONA-ZIAGYGMSSA-N 1 0 309.366 1.694 20 5 DDBDRO Cc1c(CNC(=O)[C@H]2C[C@]23CCC[NH2+]C3)cccc1[N+](=O)[O-] ZINC000594446301 356219185 /nfs/dbraw/zinc/21/91/85/356219185.db2.gz PKUQVFDNTIAAGE-CJNGLKHVSA-N 1 0 303.362 1.909 20 5 DDBDRO [NH3+]C[C@@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)C(F)(F)F ZINC000594450987 356221846 /nfs/dbraw/zinc/22/18/46/356221846.db2.gz ANGCHWFKUNJMCV-SNVBAGLBSA-N 1 0 317.223 1.960 20 5 DDBDRO [NH3+]C[C@@H](NC(=O)CCNc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000594451062 356222023 /nfs/dbraw/zinc/22/20/23/356222023.db2.gz FTVUELDAROXFCJ-SNVBAGLBSA-N 1 0 320.271 1.403 20 5 DDBDRO CCC(C)(C)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])n2C)CC1 ZINC000594389522 356193606 /nfs/dbraw/zinc/19/36/06/356193606.db2.gz LNWOQCBUSFMIAQ-UHFFFAOYSA-N 1 0 308.382 1.880 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@H]2CCC3(CCCC3)O2)c1 ZINC000594575089 356253326 /nfs/dbraw/zinc/25/33/26/356253326.db2.gz PAFUJDCEIICQFC-UONOGXRCSA-N 1 0 324.381 1.234 20 5 DDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000601330389 358501156 /nfs/dbraw/zinc/50/11/56/358501156.db2.gz SPFMKDVQOBXOOZ-RTXFEEFZSA-N 1 0 304.350 1.358 20 5 DDBDRO Cc1[nH+]c2c(n1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CCCC2 ZINC000594714310 356293894 /nfs/dbraw/zinc/29/38/94/356293894.db2.gz MHVJSLNDUBJOEX-LBPRGKRZSA-N 1 0 305.338 1.236 20 5 DDBDRO COCCC1C[NH+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000594718548 356295427 /nfs/dbraw/zinc/29/54/27/356295427.db2.gz SIJPLUPYWOSWEE-ZDUSSCGKSA-N 1 0 310.350 1.303 20 5 DDBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2C[C@H](O)C23CCC3)c2c(c1)COCO2 ZINC000594986376 356368477 /nfs/dbraw/zinc/36/84/77/356368477.db2.gz DWQIMKNHAGPGJK-KBPBESRZSA-N 1 0 320.345 1.854 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@]1(OCCO)CCOC1 ZINC000594973554 356366965 /nfs/dbraw/zinc/36/69/65/356366965.db2.gz GGCQJBRHBLOXLI-HNNXBMFYSA-N 1 0 310.350 1.161 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H](CO)[C@H]1CCOC1 ZINC000595055150 356377543 /nfs/dbraw/zinc/37/75/43/356377543.db2.gz UCFYIRKTLJWLEM-RWMBFGLXSA-N 1 0 324.377 1.899 20 5 DDBDRO C[NH2+]C[C@@H](C)NS(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC000595119173 356385358 /nfs/dbraw/zinc/38/53/58/356385358.db2.gz ONAVNQSJEVGNIT-SNVBAGLBSA-N 1 0 301.368 1.098 20 5 DDBDRO C[NH2+]C[C@@H](C)NS(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000595119424 356385400 /nfs/dbraw/zinc/38/54/00/356385400.db2.gz UCGYGOSRPJZSAP-SNVBAGLBSA-N 1 0 301.368 1.098 20 5 DDBDRO Cc1ccc(NC(=O)C(=O)NCC[C@@H](C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000595124743 356386849 /nfs/dbraw/zinc/38/68/49/356386849.db2.gz DYKZTXCACRUPJN-LLVKDONJSA-N 1 0 322.365 1.298 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000595239550 356414501 /nfs/dbraw/zinc/41/45/01/356414501.db2.gz CDBQODUKLHASJW-UHFFFAOYSA-N 1 0 308.338 1.037 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NCC[C@@H]([NH3+])C(C)C ZINC000595262764 356425303 /nfs/dbraw/zinc/42/53/03/356425303.db2.gz CRZMAZSULUWRTL-CYBMUJFWSA-N 1 0 324.381 1.776 20 5 DDBDRO C[NH2+]C[C@H](C)NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000595275132 356428921 /nfs/dbraw/zinc/42/89/21/356428921.db2.gz HKDQBFGTNFQXOW-NSHDSACASA-N 1 0 306.366 1.877 20 5 DDBDRO C[NH2+]C[C@@H]1CCCN1S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC000601337331 358504478 /nfs/dbraw/zinc/50/44/78/358504478.db2.gz BHFZKQCIBGJESC-VIFPVBQESA-N 1 0 319.408 1.337 20 5 DDBDRO CCC[N@@H+]1CC[C@@H](NC(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000595524098 356532602 /nfs/dbraw/zinc/53/26/02/356532602.db2.gz XMKQZMOYYHEVIY-CQSZACIVSA-N 1 0 320.393 1.921 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@H](CO)C2CCC2)c1 ZINC000595616317 356579167 /nfs/dbraw/zinc/57/91/67/356579167.db2.gz MKCOTCIGDOCUDP-UKRRQHHQSA-N 1 0 310.350 1.085 20 5 DDBDRO O=C(CC[NH2+][C@@H]1C[C@@H](O)C12CCC2)Nc1ccc([N+](=O)[O-])cc1 ZINC000595782034 356650126 /nfs/dbraw/zinc/65/01/26/356650126.db2.gz NDIRMXZEXQJNHD-ZIAGYGMSSA-N 1 0 319.361 1.817 20 5 DDBDRO O=[N+]([O-])c1cccc(CN2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000595864531 356683415 /nfs/dbraw/zinc/68/34/15/356683415.db2.gz BQCZIXPAKAMREY-MRXNPFEDSA-N 1 0 305.378 1.626 20 5 DDBDRO C[NH2+]C1CCN(C(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000237091813 202151024 /nfs/dbraw/zinc/15/10/24/202151024.db2.gz DYGZGMXTQXKVBY-UHFFFAOYSA-N 1 0 323.349 1.436 20 5 DDBDRO Cc1c(NC(=O)[C@@H](C)N2CC3CC2(C[NH3+])C3)cccc1[N+](=O)[O-] ZINC000595908442 356701681 /nfs/dbraw/zinc/70/16/81/356701681.db2.gz IHIPAHJPYWFXCD-OPGSHWCFSA-N 1 0 318.377 1.653 20 5 DDBDRO CN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H](C[NH3+])C(F)(F)F ZINC000595910635 356701799 /nfs/dbraw/zinc/70/17/99/356701799.db2.gz WMICNXRQDXOZOJ-SNVBAGLBSA-N 1 0 320.271 1.015 20 5 DDBDRO COCC1([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCCCC1 ZINC000595912296 356702246 /nfs/dbraw/zinc/70/22/46/356702246.db2.gz ZLXUCZVYTTYDQE-CYBMUJFWSA-N 1 0 312.370 1.091 20 5 DDBDRO O=C(c1n[nH]cc1[N+](=O)[O-])N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000595935527 356711784 /nfs/dbraw/zinc/71/17/84/356711784.db2.gz FIVWHIUVZJZMHD-LLVKDONJSA-N 1 0 307.354 1.170 20 5 DDBDRO Cn1c(C(=O)NCC2CC[NH+](C3CC3)CC2)ccc1[N+](=O)[O-] ZINC000347507301 283218288 /nfs/dbraw/zinc/21/82/88/283218288.db2.gz DCDUILOMDRYUHD-UHFFFAOYSA-N 1 0 306.366 1.538 20 5 DDBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596182732 356805139 /nfs/dbraw/zinc/80/51/39/356805139.db2.gz GQRUULYBXBSQNX-NSHDSACASA-N 1 0 320.393 1.860 20 5 DDBDRO C[NH+](C)CC1CN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000596248627 356831800 /nfs/dbraw/zinc/83/18/00/356831800.db2.gz ZVQZMZAFGCLAFP-UHFFFAOYSA-N 1 0 319.408 1.058 20 5 DDBDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000596308682 356852461 /nfs/dbraw/zinc/85/24/61/356852461.db2.gz KNBSOLIQKJBBNJ-SECBINFHSA-N 1 0 307.354 1.373 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000596537535 356910302 /nfs/dbraw/zinc/91/03/02/356910302.db2.gz HIVYXBZFNYIVTN-CQSZACIVSA-N 1 0 305.378 1.939 20 5 DDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000596539248 356911023 /nfs/dbraw/zinc/91/10/23/356911023.db2.gz NPVSFEOAZCDAIQ-CYBMUJFWSA-N 1 0 323.397 1.155 20 5 DDBDRO Cn1ccnc1[C@@H](N[C@H]1CC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000596648194 356940788 /nfs/dbraw/zinc/94/07/88/356940788.db2.gz KYPBVWDIZDZRCC-JSGCOSHPSA-N 1 0 301.350 1.369 20 5 DDBDRO C[C@@H](C[NH+]1CCC(C)CC1)Nc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000596488504 356894655 /nfs/dbraw/zinc/89/46/55/356894655.db2.gz QLMDYJQVRONRIF-NSHDSACASA-N 1 0 321.381 1.621 20 5 DDBDRO CCN(C(=O)NCCc1cccc([N+](=O)[O-])c1)[C@H]1CC[N@H+](C)C1 ZINC000596517248 356903305 /nfs/dbraw/zinc/90/33/05/356903305.db2.gz FYLUBQKUVKETCW-HNNXBMFYSA-N 1 0 320.393 1.873 20 5 DDBDRO Cc1ccc(CN2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc1[N+](=O)[O-] ZINC000597237409 357105849 /nfs/dbraw/zinc/10/58/49/357105849.db2.gz ZWZVAIHQTSAOTD-INIZCTEOSA-N 1 0 319.405 1.934 20 5 DDBDRO [NH3+]CCN(Cc1cnc2n1CCC2)c1ccccc1[N+](=O)[O-] ZINC000597128583 357067476 /nfs/dbraw/zinc/06/74/76/357067476.db2.gz XAKDAVFSYDNUHE-UHFFFAOYSA-N 1 0 301.350 1.703 20 5 DDBDRO C[NH+](C)C1(C(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000597264034 357114080 /nfs/dbraw/zinc/11/40/80/357114080.db2.gz JRXFZQHKHWPJAE-LLVKDONJSA-N 1 0 319.365 1.097 20 5 DDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N[C@H]1CC12CC[NH2+]CC2 ZINC000597439958 357176126 /nfs/dbraw/zinc/17/61/26/357176126.db2.gz JQIDWPQBTOBSPB-AWEZNQCLSA-N 1 0 318.377 1.579 20 5 DDBDRO CCCc1n[nH]c(C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)c1[N+](=O)[O-] ZINC000597857360 357360196 /nfs/dbraw/zinc/36/01/96/357360196.db2.gz FIXJGGLNFKHZMK-JTQLQIEISA-N 1 0 323.397 1.873 20 5 DDBDRO CCN(C(=O)c1ccc([N+](=O)[O-])cc1OC)[C@@H]1CC[N@H+](C)C1 ZINC000597943988 357393041 /nfs/dbraw/zinc/39/30/41/357393041.db2.gz BMJVVPBLGFJEHV-GFCCVEGCSA-N 1 0 307.350 1.770 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCCN(C)CCC[NH+](C)C ZINC000597989554 357407261 /nfs/dbraw/zinc/40/72/61/357407261.db2.gz GCDCFWKIRKCWCI-UHFFFAOYSA-N 1 0 322.409 1.517 20 5 DDBDRO CN(CC1C[NH+](C)C1)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000598162467 357479088 /nfs/dbraw/zinc/47/90/88/357479088.db2.gz IGMPUVUOZQDDRO-UHFFFAOYSA-N 1 0 305.378 1.892 20 5 DDBDRO CCC[N@@H+]1CC[C@@H](NC(=O)c2cccc(OC)c2[N+](=O)[O-])C1 ZINC000598342279 357545903 /nfs/dbraw/zinc/54/59/03/357545903.db2.gz LMTQFWSEDHHXSP-LLVKDONJSA-N 1 0 307.350 1.818 20 5 DDBDRO CCC[N@@H+]1CC[C@H](NC(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000598342230 357546020 /nfs/dbraw/zinc/54/60/20/357546020.db2.gz KVKWQOOGZHPOQW-ZDUSSCGKSA-N 1 0 321.377 1.746 20 5 DDBDRO COC(=O)c1ccnc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000598590881 357643870 /nfs/dbraw/zinc/64/38/70/357643870.db2.gz RSDGKCQKFHOFTH-GHMZBOCLSA-N 1 0 320.349 1.815 20 5 DDBDRO COC(=O)c1ccnc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000598590888 357644611 /nfs/dbraw/zinc/64/46/11/357644611.db2.gz RSDGKCQKFHOFTH-WDEREUQCSA-N 1 0 320.349 1.815 20 5 DDBDRO COC(=O)c1ccnc(N[C@@H]2CCc3nc[nH]c3C2)c1[N+](=O)[O-] ZINC000598626350 357659862 /nfs/dbraw/zinc/65/98/62/357659862.db2.gz AYLBBXZCFJNSEZ-MRVPVSSYSA-N 1 0 317.305 1.469 20 5 DDBDRO O=C(CC[C@H]1CCC[NH2+]C1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000598663896 357675969 /nfs/dbraw/zinc/67/59/69/357675969.db2.gz BJMVFHXHVYEPEN-GFCCVEGCSA-N 1 0 318.377 1.654 20 5 DDBDRO [NH3+][C@@]12CCC[C@H]1CN(CC(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC000598681824 357684877 /nfs/dbraw/zinc/68/48/77/357684877.db2.gz JRLLNZVYQASBDT-XHDPSFHLSA-N 1 0 304.350 1.347 20 5 DDBDRO Cc1ccc(S(=O)(=O)N(C)[C@H]2CC[NH2+]C2)c(C)c1[N+](=O)[O-] ZINC000598716596 357701937 /nfs/dbraw/zinc/70/19/37/357701937.db2.gz PDUBHBFZYQYUTH-NSHDSACASA-N 1 0 313.379 1.194 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CC[C@@H]2CC2(F)F)c1 ZINC000598730383 357706923 /nfs/dbraw/zinc/70/69/23/357706923.db2.gz UOAGGQZUXHYAGE-PWSUYJOCSA-N 1 0 316.304 1.969 20 5 DDBDRO CN(C[C@@H](O)C[NH3+])C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000598914011 357756891 /nfs/dbraw/zinc/75/68/91/357756891.db2.gz UWQSEWQWHJMHNQ-QMMMGPOBSA-N 1 0 302.718 1.032 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCN1CC[C@@H](O)C1 ZINC000599007192 357790991 /nfs/dbraw/zinc/79/09/91/357790991.db2.gz BXZMAWXQLYMNFF-CQSZACIVSA-N 1 0 309.366 1.150 20 5 DDBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCN1CC[C@@H](O)C1)C1CC1 ZINC000599085953 357811349 /nfs/dbraw/zinc/81/13/49/357811349.db2.gz VYSKZSWXWHMWOC-HZPDHXFCSA-N 1 0 319.405 1.572 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000599102388 357815526 /nfs/dbraw/zinc/81/55/26/357815526.db2.gz FBQUFBQXGMKNDA-GHMZBOCLSA-N 1 0 313.379 1.322 20 5 DDBDRO NC(=O)[C@@H]1CCCN1CCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000598991028 357785395 /nfs/dbraw/zinc/78/53/95/357785395.db2.gz SPBBCNRTJAZUPZ-AWEZNQCLSA-N 1 0 306.366 1.024 20 5 DDBDRO CCOC(=O)C[C@H](O)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000599353591 357905711 /nfs/dbraw/zinc/90/57/11/357905711.db2.gz JQVZWORFZLATKR-YPMHNXCESA-N 1 0 310.350 1.868 20 5 DDBDRO Cc1c(C[N@H+]2C[C@](C)(CO)[C@](C)(CO)C2)cccc1[N+](=O)[O-] ZINC000599624664 357997381 /nfs/dbraw/zinc/99/73/81/357997381.db2.gz ULQVRUOGFGNTLH-IYBDPMFKSA-N 1 0 308.378 1.716 20 5 DDBDRO COC(=O)[C@@]1(OC)CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000599561706 357974157 /nfs/dbraw/zinc/97/41/57/357974157.db2.gz CEXOHBDOXKIJEC-OAHLLOKOSA-N 1 0 324.333 1.238 20 5 DDBDRO CCN(CC[NH3+])C(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1C ZINC000599606161 357990603 /nfs/dbraw/zinc/99/06/03/357990603.db2.gz KGZYKCXJTZPLEF-UHFFFAOYSA-N 1 0 324.337 1.502 20 5 DDBDRO C[C@H]1CC[C@@H](NC(=O)NCCc2ccccc2[N+](=O)[O-])C[NH2+]1 ZINC000599918763 358080223 /nfs/dbraw/zinc/08/02/23/358080223.db2.gz KHNBWZCNGDQFTI-WCQYABFASA-N 1 0 306.366 1.577 20 5 DDBDRO C[C@@H](CNC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)[NH+](C)C ZINC000272952890 295965999 /nfs/dbraw/zinc/96/59/99/295965999.db2.gz GNPQYVYEJOCMMC-IINYFYTJSA-N 1 0 320.349 1.154 20 5 DDBDRO Cn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)n1 ZINC000600229968 358163761 /nfs/dbraw/zinc/16/37/61/358163761.db2.gz MFWIODXSOJTAKM-GFCCVEGCSA-N 1 0 321.381 1.465 20 5 DDBDRO C[NH2+]C[C@H]1CCCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])C1 ZINC000237291522 202220793 /nfs/dbraw/zinc/22/07/93/202220793.db2.gz VFTITIODKYJXIQ-CYBMUJFWSA-N 1 0 320.393 1.489 20 5 DDBDRO CC(C)[C@H]1C[NH2+]CCN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000600715091 358292910 /nfs/dbraw/zinc/29/29/10/358292910.db2.gz RILSLGAYESUCLY-OAHLLOKOSA-N 1 0 320.393 1.853 20 5 DDBDRO C[NH2+]CCOCCN(C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000600729403 358298687 /nfs/dbraw/zinc/29/86/87/358298687.db2.gz FZMCYXDTIBBRNZ-UHFFFAOYSA-N 1 0 324.381 1.010 20 5 DDBDRO C[N@H+](CC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)C1CCC1 ZINC000600825038 358326944 /nfs/dbraw/zinc/32/69/44/358326944.db2.gz GGBYEFFSRWIOOU-UHFFFAOYSA-N 1 0 321.381 1.439 20 5 DDBDRO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CCC[C@H]([NH+](C)C)C1 ZINC000601110991 358406243 /nfs/dbraw/zinc/40/62/43/358406243.db2.gz NJDBPZGSKYTJGQ-QMMMGPOBSA-N 1 0 321.303 1.878 20 5 DDBDRO C[NH+](C)CC1(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000602046578 358790279 /nfs/dbraw/zinc/79/02/79/358790279.db2.gz SRGFAGLSKKELDL-UHFFFAOYSA-N 1 0 306.366 1.465 20 5 DDBDRO C[NH+](C)CC1(C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)CC1 ZINC000602133033 358835334 /nfs/dbraw/zinc/83/53/34/358835334.db2.gz NSTHHNVCUAMYKO-UHFFFAOYSA-N 1 0 304.350 1.216 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCOCC3CC3)CC2)cn1 ZINC000602549054 359039768 /nfs/dbraw/zinc/03/97/68/359039768.db2.gz QLKVYDAUOIHOAP-UHFFFAOYSA-N 1 0 320.393 1.975 20 5 DDBDRO CN1CCC(CCO)([NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000602613229 359074294 /nfs/dbraw/zinc/07/42/94/359074294.db2.gz UNELKQDNORHSLT-UHFFFAOYSA-N 1 0 307.394 1.574 20 5 DDBDRO COc1cccc(C(=O)N2CCCCC[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000602579342 359053291 /nfs/dbraw/zinc/05/32/91/359053291.db2.gz JWAFSLWZKXHOCY-NSHDSACASA-N 1 0 307.350 1.947 20 5 DDBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000602591857 359060169 /nfs/dbraw/zinc/06/01/69/359060169.db2.gz ORJZQOGBBUPFHL-TXEJJXNPSA-N 1 0 305.334 1.327 20 5 DDBDRO CC[NH+](CC)C[C@@H]1CCN(CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602780036 359185814 /nfs/dbraw/zinc/18/58/14/359185814.db2.gz DPGMRZLHPXVURH-AWEZNQCLSA-N 1 0 309.414 1.763 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CCN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000602782389 359187341 /nfs/dbraw/zinc/18/73/41/359187341.db2.gz MPDYNIAFAFLNIN-OAHLLOKOSA-N 1 0 321.425 1.908 20 5 DDBDRO CCCNC(=O)C1CC[NH+](CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000602768341 359176382 /nfs/dbraw/zinc/17/63/82/359176382.db2.gz UJROKIOQNFWRQG-UHFFFAOYSA-N 1 0 323.397 1.338 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H]([C@H](CO)C1CC1)C1CC1 ZINC000602840111 359230464 /nfs/dbraw/zinc/23/04/64/359230464.db2.gz IVKNFFZYVZKNPI-HIFRSBDPSA-N 1 0 308.382 1.486 20 5 DDBDRO Cn1cc(C[NH2+][C@H]2CCCC[C@H]2N2CCOCC2)c([N+](=O)[O-])n1 ZINC000602813891 359209147 /nfs/dbraw/zinc/20/91/47/359209147.db2.gz AKBASYCXCCPUAZ-UONOGXRCSA-N 1 0 323.397 1.061 20 5 DDBDRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@@H+]2CCn1c(C)ncc1[N+](=O)[O-] ZINC000602829543 359221046 /nfs/dbraw/zinc/22/10/46/359221046.db2.gz LKQKWCGMQAZJOW-JQPXUNLUSA-N 1 0 306.366 1.455 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H](C)[C@@H]1CN(C)CCO1 ZINC000618467678 363642381 /nfs/dbraw/zinc/64/23/81/363642381.db2.gz PFKXCJSWCJEBBJ-YPMHNXCESA-N 1 0 307.350 1.352 20 5 DDBDRO O=[N+]([O-])c1cccc(Cn2cc(C[C@@H]3CCC[NH2+]C3)nn2)c1 ZINC000603162766 359448300 /nfs/dbraw/zinc/44/83/00/359448300.db2.gz PMCOGMNQRHRSAX-LBPRGKRZSA-N 1 0 301.350 1.777 20 5 DDBDRO C[C@H](C[NH3+])CNC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000237571245 202288649 /nfs/dbraw/zinc/28/86/49/202288649.db2.gz QMUPFYDBBUYMDA-SNVBAGLBSA-N 1 0 317.349 1.320 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@@H]1CCC[NH2+]C1 ZINC000237663770 202322388 /nfs/dbraw/zinc/32/23/88/202322388.db2.gz DBPWTHJLBINBMB-LLVKDONJSA-N 1 0 313.379 1.242 20 5 DDBDRO Cc1cc(S(=O)(=O)NC[C@H]2CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000237789606 202355823 /nfs/dbraw/zinc/35/58/23/202355823.db2.gz IBLVMMAVHRMEIO-NSHDSACASA-N 1 0 313.379 1.181 20 5 DDBDRO O=C(c1cc([N+](=O)[O-])ccc1N1CCCCC1)N1CC[NH2+]CC1 ZINC000237880632 202376977 /nfs/dbraw/zinc/37/69/77/202376977.db2.gz KQFXIQHRWPCLPE-UHFFFAOYSA-N 1 0 318.377 1.631 20 5 DDBDRO [NH3+][C@H]1CC[C@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000237890293 202380277 /nfs/dbraw/zinc/38/02/77/202380277.db2.gz FRHMGXRAPXFJQF-STQMWFEESA-N 1 0 318.377 1.371 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000188733685 200296890 /nfs/dbraw/zinc/29/68/90/200296890.db2.gz RPMJOGJORSXVCH-UHFFFAOYSA-N 1 0 312.329 1.831 20 5 DDBDRO [NH3+]C[C@H]1CCCCN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000237942172 202399104 /nfs/dbraw/zinc/39/91/04/202399104.db2.gz OTAUJAUPTFOKNP-GFCCVEGCSA-N 1 0 306.366 1.737 20 5 DDBDRO [NH3+]C[C@@H]1CCCN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000237968807 202408834 /nfs/dbraw/zinc/40/88/34/202408834.db2.gz ZXIARDXQXOJYQW-LBPRGKRZSA-N 1 0 304.350 1.732 20 5 DDBDRO COc1ccc(C(=O)NCCN2CCO[C@H](C)C2)cc1[N+](=O)[O-] ZINC000608778054 360240831 /nfs/dbraw/zinc/24/08/31/360240831.db2.gz TTXSXHIXGXTCDH-LLVKDONJSA-N 1 0 323.349 1.054 20 5 DDBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000609878268 360360041 /nfs/dbraw/zinc/36/00/41/360360041.db2.gz UUEUBAKPXNSHEG-LBPRGKRZSA-N 1 0 306.366 1.902 20 5 DDBDRO CCCC(=O)NC1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000610484852 360447858 /nfs/dbraw/zinc/44/78/58/360447858.db2.gz LJJKPQASTWIZJW-UHFFFAOYSA-N 1 0 309.370 1.172 20 5 DDBDRO O=C(N[C@H]1CCCC[NH2+]C1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000565822823 304095021 /nfs/dbraw/zinc/09/50/21/304095021.db2.gz ZMSCFVSRQOHERI-ZDUSSCGKSA-N 1 0 318.377 1.805 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CC[C@H](C(F)F)C2)c1 ZINC000611180228 360652002 /nfs/dbraw/zinc/65/20/02/360652002.db2.gz VGILWVDWTVSJCA-JQWIXIFHSA-N 1 0 316.304 1.922 20 5 DDBDRO C[C@](CO)([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccccc1 ZINC000611185111 360652732 /nfs/dbraw/zinc/65/27/32/360652732.db2.gz DDXBKQCCIQGIPE-MRXNPFEDSA-N 1 0 317.345 1.254 20 5 DDBDRO C[N@@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C[C@@H]1CCC[C@@H]1O ZINC000611285736 360689539 /nfs/dbraw/zinc/68/95/39/360689539.db2.gz KBFKHTJTMBTQGS-FZMZJTMJSA-N 1 0 322.361 1.959 20 5 DDBDRO C[NH+](C)CCNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000359070190 299319852 /nfs/dbraw/zinc/31/98/52/299319852.db2.gz YAIPCFLYAOQRNL-UHFFFAOYSA-N 1 0 303.265 1.488 20 5 DDBDRO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000193588061 201080001 /nfs/dbraw/zinc/08/00/01/201080001.db2.gz MQRXRHWRUMGXCD-MFKMUULPSA-N 1 0 309.391 1.944 20 5 DDBDRO [NH3+][C@@H](CNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C1CC1 ZINC000194729462 201279657 /nfs/dbraw/zinc/27/96/57/201279657.db2.gz RPDJLIFAXZZZJV-VIFPVBQESA-N 1 0 319.770 1.264 20 5 DDBDRO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@H]1CNc2ccnn2C1 ZINC000619265363 363953351 /nfs/dbraw/zinc/95/33/51/363953351.db2.gz QBTOUDLFZQLZEA-GFCCVEGCSA-N 1 0 301.350 1.965 20 5 DDBDRO Cc1n[nH]c(C(=O)NC2CC([NH+]3CCCCC3)C2)c1[N+](=O)[O-] ZINC000619451612 364018313 /nfs/dbraw/zinc/01/83/13/364018313.db2.gz XNRNYDQFPOYFON-UHFFFAOYSA-N 1 0 307.354 1.373 20 5 DDBDRO CC[C@H]1C[N@H+](C)CCCN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000619566997 364063667 /nfs/dbraw/zinc/06/36/67/364063667.db2.gz GUILFSCCCUILBY-ZDUSSCGKSA-N 1 0 321.377 1.916 20 5 DDBDRO CC(C)[NH2+]C1CCN(c2cc(N)c([N+](=O)[O-])c(CO)c2)CC1 ZINC000619570497 364064616 /nfs/dbraw/zinc/06/46/16/364064616.db2.gz DKTIVGKCDZJZLB-UHFFFAOYSA-N 1 0 308.382 1.636 20 5 DDBDRO O=[N+]([O-])c1cnc(N2CCC[N@H+](C[C@H]3CCCO3)CC2)s1 ZINC000619694484 364117726 /nfs/dbraw/zinc/11/77/26/364117726.db2.gz QIICHKIHGZRFAQ-LLVKDONJSA-N 1 0 312.395 1.742 20 5 DDBDRO Cc1sc(C(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)cc1[N+](=O)[O-] ZINC000619873567 364170361 /nfs/dbraw/zinc/17/03/61/364170361.db2.gz NSZWGEBRGQAXOW-LLVKDONJSA-N 1 0 324.406 1.084 20 5 DDBDRO C[C@@H](c1ccccn1)[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000091704437 193094964 /nfs/dbraw/zinc/09/49/64/193094964.db2.gz QTHUBOOFELLQSQ-LBPRGKRZSA-N 1 0 302.334 1.845 20 5 DDBDRO CCC[C@@H]1C[NH2+]CCN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000359229378 299366816 /nfs/dbraw/zinc/36/68/16/299366816.db2.gz OSHJDXSCTQNCLK-CYBMUJFWSA-N 1 0 320.393 1.997 20 5 DDBDRO Cc1cccc(C(C)(C)[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000271791258 209218338 /nfs/dbraw/zinc/21/83/38/209218338.db2.gz NMXPEFKNSIEWPL-HNNXBMFYSA-N 1 0 318.377 1.986 20 5 DDBDRO Cc1ccc(NC(=O)C(=O)NC[C@@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000293068334 223381088 /nfs/dbraw/zinc/38/10/88/223381088.db2.gz BTYRMBUAJOFDLU-SNVBAGLBSA-N 1 0 322.365 1.156 20 5 DDBDRO C[C@@H](CC[NH3+])NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000349932789 284109332 /nfs/dbraw/zinc/10/93/32/284109332.db2.gz CUFYYPGYROGLER-JTQLQIEISA-N 1 0 303.322 1.248 20 5 DDBDRO C[C@@H](CC[NH3+])NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000349936433 284111190 /nfs/dbraw/zinc/11/11/90/284111190.db2.gz LRMOTGUKDLEQOE-JTQLQIEISA-N 1 0 303.322 1.248 20 5 DDBDRO COc1cc(C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000262555899 203328858 /nfs/dbraw/zinc/32/88/58/203328858.db2.gz UFGUTOWYSAHHTR-NEPJUHHUSA-N 1 0 305.334 1.285 20 5 DDBDRO C[C@H]1[NH2+]CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)[C@H]1C ZINC000262724530 203392766 /nfs/dbraw/zinc/39/27/66/203392766.db2.gz GSSVGOCMRBYTDN-MNOVXSKESA-N 1 0 318.377 1.992 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000566439084 304156591 /nfs/dbraw/zinc/15/65/91/304156591.db2.gz CBCOQNOSUUOYBP-UHFFFAOYSA-N 1 0 321.377 1.952 20 5 DDBDRO CCC(CC)(CCO)[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000282512757 217053694 /nfs/dbraw/zinc/05/36/94/217053694.db2.gz SDSIVESQOWTJJB-UHFFFAOYSA-N 1 0 309.366 1.725 20 5 DDBDRO CN1CCC([NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000351504303 284350961 /nfs/dbraw/zinc/35/09/61/284350961.db2.gz VKSHCKFVJMQEPY-UONOGXRCSA-N 1 0 307.398 1.959 20 5 DDBDRO Cc1cc(C(=O)N[C@H](CO)C[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000288403074 220135334 /nfs/dbraw/zinc/13/53/34/220135334.db2.gz GEEBCGYZTIHARJ-AWEZNQCLSA-N 1 0 321.377 1.480 20 5 DDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000038050075 291601173 /nfs/dbraw/zinc/60/11/73/291601173.db2.gz CQSQZSIZATWBJG-GHMZBOCLSA-N 1 0 313.379 1.451 20 5 DDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000228073113 291600997 /nfs/dbraw/zinc/60/09/97/291600997.db2.gz AIONDRURXAQLQI-MWLCHTKSSA-N 1 0 313.379 1.261 20 5 DDBDRO C[C@H]([NH2+]C[C@H](O)COC[C@@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000567123738 304198694 /nfs/dbraw/zinc/19/86/94/304198694.db2.gz ASLNBIVQSVQECH-RCBQFDQVSA-N 1 0 324.377 1.802 20 5 DDBDRO C[C@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@H]1CCOC1 ZINC000274117922 211371685 /nfs/dbraw/zinc/37/16/85/211371685.db2.gz WPBHUJDBUXUFCO-RYUDHWBXSA-N 1 0 307.350 1.572 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](C)[C@H](C)CO ZINC000273951419 211206998 /nfs/dbraw/zinc/20/69/98/211206998.db2.gz FLYXOVSGRMDTAS-VXGBXAGGSA-N 1 0 309.366 1.838 20 5 DDBDRO C[NH+]1CCC(CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000105177151 194082510 /nfs/dbraw/zinc/08/25/10/194082510.db2.gz GYTUFGLCDYOIGA-UHFFFAOYSA-N 1 0 320.393 1.778 20 5 DDBDRO C[NH+]1CCC(CNC(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000105199289 194084208 /nfs/dbraw/zinc/08/42/08/194084208.db2.gz YGLPCAURRVJSAH-UHFFFAOYSA-N 1 0 306.366 1.736 20 5 DDBDRO NC(=O)c1ccc(C[N@@H+]2CCC[C@@H]2[C@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000284795941 218180962 /nfs/dbraw/zinc/18/09/62/218180962.db2.gz OGZBJKJROSBOJF-UKRRQHHQSA-N 1 0 319.361 1.837 20 5 DDBDRO CCOc1cccc(NC[C@@H]2C[N@H+](C)CCN2C)c1[N+](=O)[O-] ZINC000273864023 211124320 /nfs/dbraw/zinc/12/43/20/211124320.db2.gz MXSPDKIUZDTJIL-GFCCVEGCSA-N 1 0 308.382 1.651 20 5 DDBDRO CC[C@@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000341024822 251344322 /nfs/dbraw/zinc/34/43/22/251344322.db2.gz HZPCLTBPOYNTOT-RISCZKNCSA-N 1 0 307.350 1.626 20 5 DDBDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000341058939 251360885 /nfs/dbraw/zinc/36/08/85/251360885.db2.gz LQGPPCVYYBMZBX-BETUJISGSA-N 1 0 323.397 1.561 20 5 DDBDRO C[C@@H](NC(=O)CCNc1ccccc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000269237644 207366123 /nfs/dbraw/zinc/36/61/23/207366123.db2.gz XAKBCZUFXWJIRO-OLZOCXBDSA-N 1 0 320.393 1.901 20 5 DDBDRO CC(C)[C@@H]([NH3+])CNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000269261274 207403187 /nfs/dbraw/zinc/40/31/87/207403187.db2.gz JLQBMHLNLFMHNL-LBPRGKRZSA-N 1 0 318.333 1.562 20 5 DDBDRO COCC[N@@H+]1CC[C@@H](NC(=O)c2cccc(OC)c2[N+](=O)[O-])C1 ZINC000444177171 532981897 /nfs/dbraw/zinc/98/18/97/532981897.db2.gz SUPXTHZWJJHNNE-LLVKDONJSA-N 1 0 323.349 1.054 20 5 DDBDRO C[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CCSC1 ZINC000119856485 195050274 /nfs/dbraw/zinc/05/02/74/195050274.db2.gz LZDSXWDIFKBHCT-CHWSQXEVSA-N 1 0 312.391 1.772 20 5 DDBDRO C[NH+](C)CCn1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2F)n1 ZINC000119999746 195077519 /nfs/dbraw/zinc/07/75/19/195077519.db2.gz TWJHVEYIPBPIQQ-UHFFFAOYSA-N 1 0 321.312 1.744 20 5 DDBDRO CC[N@@H+]1CCCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000158224408 197255428 /nfs/dbraw/zinc/25/54/28/197255428.db2.gz NEVZBIZSDICJLY-UHFFFAOYSA-N 1 0 320.393 1.869 20 5 DDBDRO C[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CCC[C@@H]1O ZINC000352657092 285201401 /nfs/dbraw/zinc/20/14/01/285201401.db2.gz FAMUJIGAQJNBMP-OBJOEFQTSA-N 1 0 310.350 1.180 20 5 DDBDRO COC(=O)CC1([NH2+]Cc2ccccc2[N+](=O)[O-])CCOCC1 ZINC000120415091 195161737 /nfs/dbraw/zinc/16/17/37/195161737.db2.gz RDGCDPGOHOKRIP-UHFFFAOYSA-N 1 0 308.334 1.797 20 5 DDBDRO COc1cc(C[NH+]2CCC(OCCO)CC2)ccc1[N+](=O)[O-] ZINC000352770411 285289213 /nfs/dbraw/zinc/28/92/13/285289213.db2.gz SCSRTJLKVQUIGF-UHFFFAOYSA-N 1 0 310.350 1.577 20 5 DDBDRO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000289525838 221039921 /nfs/dbraw/zinc/03/99/21/221039921.db2.gz AYSMATPTFCEYOJ-NXEZZACHSA-N 1 0 309.753 1.930 20 5 DDBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3F)[C@@H]2C1 ZINC000352802449 285311390 /nfs/dbraw/zinc/31/13/90/285311390.db2.gz DVDCZMFZFCWYNN-XHDPSFHLSA-N 1 0 321.352 1.829 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+]1[C@@H]2CC[C@H]1CN(C)C(=O)C2 ZINC000451857259 533221350 /nfs/dbraw/zinc/22/13/50/533221350.db2.gz GSQYVHHZMZLFKP-OCCSQVGLSA-N 1 0 319.361 1.799 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N(C)C1CC[NH2+]CC1 ZINC000414655360 533223694 /nfs/dbraw/zinc/22/36/94/533223694.db2.gz KVAIPKTUEZXNIE-UHFFFAOYSA-N 1 0 308.338 1.819 20 5 DDBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000290033847 221391893 /nfs/dbraw/zinc/39/18/93/221391893.db2.gz GEBCHANMJOYRLL-WDEREUQCSA-N 1 0 321.402 1.998 20 5 DDBDRO Cc1nn(C)c(C(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000352869378 285348134 /nfs/dbraw/zinc/34/81/34/285348134.db2.gz WJXRSTUEQCBWKN-MNOVXSKESA-N 1 0 323.397 1.629 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CCCOC[C@@H]2CCOC2)cc1 ZINC001120497548 781985302 /nfs/dbraw/zinc/98/53/02/781985302.db2.gz VZMHOEJMJKGDJY-XJKSGUPXSA-N 1 0 324.377 1.661 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@](C)(CO)C(C)C ZINC000352914596 285384348 /nfs/dbraw/zinc/38/43/48/285384348.db2.gz PRGYYLWGBRRHER-HNNXBMFYSA-N 1 0 309.366 1.838 20 5 DDBDRO COc1cc(C(=O)N(C)C2CC[NH2+]CC2)cc([N+](=O)[O-])c1C ZINC000422736262 533509496 /nfs/dbraw/zinc/50/94/96/533509496.db2.gz GCVWJKQCAQUZPF-UHFFFAOYSA-N 1 0 307.350 1.736 20 5 DDBDRO C[C@H]1CCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)[C@@H](C)[C@H]1[NH3+] ZINC000457359925 533589757 /nfs/dbraw/zinc/58/97/57/533589757.db2.gz DTVKHZFRBAABCA-NHCYSSNCSA-N 1 0 309.370 1.111 20 5 DDBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000330799326 533592850 /nfs/dbraw/zinc/59/28/50/533592850.db2.gz BUCIWOFYJSZYAG-SNVBAGLBSA-N 1 0 321.381 1.374 20 5 DDBDRO Cc1cc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)ncn1 ZINC000428953266 533596933 /nfs/dbraw/zinc/59/69/33/533596933.db2.gz FSHJTBQWVIGCKU-UHFFFAOYSA-N 1 0 302.338 1.727 20 5 DDBDRO COc1ccc(CNC(=O)N2C[C@H](C[NH3+])C[C@@H]2C)cc1[N+](=O)[O-] ZINC000417183504 533606684 /nfs/dbraw/zinc/60/66/84/533606684.db2.gz BDGWBJBNMLYREZ-JQWIXIFHSA-N 1 0 322.365 1.482 20 5 DDBDRO COc1ccc(CC(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000579702865 422816498 /nfs/dbraw/zinc/81/64/98/422816498.db2.gz PYRYUZPZIRUXHT-DGCLKSJQSA-N 1 0 321.377 1.874 20 5 DDBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H](CO)C1CC1 ZINC000353486760 285762824 /nfs/dbraw/zinc/76/28/24/285762824.db2.gz YUXIRQTWEHESFD-YPMHNXCESA-N 1 0 321.377 1.920 20 5 DDBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H](CO)C1CC1 ZINC000353508991 285777056 /nfs/dbraw/zinc/77/70/56/285777056.db2.gz IAYWGRCPXARUKJ-DGCLKSJQSA-N 1 0 321.377 1.920 20 5 DDBDRO CCn1c(C)nc([N+](=O)[O-])c1NCC1CC[NH+](CCO)CC1 ZINC000360901604 299770735 /nfs/dbraw/zinc/77/07/35/299770735.db2.gz LROQYKZEBIXHTH-UHFFFAOYSA-N 1 0 311.386 1.236 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000068203271 406622713 /nfs/dbraw/zinc/62/27/13/406622713.db2.gz JITQFLYFCGNLKI-NSHDSACASA-N 1 0 309.370 1.090 20 5 DDBDRO O=C(CCNc1ccccc1[N+](=O)[O-])NCC[NH+]1CCCC1 ZINC000073418217 406889890 /nfs/dbraw/zinc/88/98/90/406889890.db2.gz JJUBPDZXCYMCBQ-UHFFFAOYSA-N 1 0 306.366 1.609 20 5 DDBDRO COCCN(CC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000078508396 407031371 /nfs/dbraw/zinc/03/13/71/407031371.db2.gz IPAGBRMGJYLVKK-UHFFFAOYSA-N 1 0 309.366 1.553 20 5 DDBDRO C[NH+]1CCC(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000089421263 407133496 /nfs/dbraw/zinc/13/34/96/407133496.db2.gz TYWZFDJMFXBBRF-UHFFFAOYSA-N 1 0 303.322 1.751 20 5 DDBDRO C[C@@H]1C[C@@H](N(C)C(=O)COc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000123324177 407325673 /nfs/dbraw/zinc/32/56/73/407325673.db2.gz QWGILHCXAKEIEZ-OLZOCXBDSA-N 1 0 321.377 1.915 20 5 DDBDRO COc1cc(C(=O)N2CCC([NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000101640736 407313840 /nfs/dbraw/zinc/31/38/40/407313840.db2.gz UNKUWOPCWWKTOG-UHFFFAOYSA-N 1 0 307.350 1.770 20 5 DDBDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000123693577 407336725 /nfs/dbraw/zinc/33/67/25/407336725.db2.gz CZCUEHLJPYJDFA-GFCCVEGCSA-N 1 0 309.370 1.172 20 5 DDBDRO O=C(Nc1ccncc1[N+](=O)[O-])N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000124579445 407362960 /nfs/dbraw/zinc/36/29/60/407362960.db2.gz VTXLLEWYWAQZRX-NSHDSACASA-N 1 0 303.322 1.468 20 5 DDBDRO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000106919703 407367171 /nfs/dbraw/zinc/36/71/71/407367171.db2.gz NZRYZTRRNRLLFA-JTQLQIEISA-N 1 0 320.349 1.442 20 5 DDBDRO C[N@@H+]1CCC[C@@H](CNC(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000108566547 407388366 /nfs/dbraw/zinc/38/83/66/407388366.db2.gz WZPLDULUABCJAH-ZDUSSCGKSA-N 1 0 306.366 1.736 20 5 DDBDRO C[N@@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)CC1CCC1 ZINC000111298430 407406605 /nfs/dbraw/zinc/40/66/05/407406605.db2.gz MRULXESARJJRCC-UHFFFAOYSA-N 1 0 321.333 1.994 20 5 DDBDRO Cc1ccc(S(=O)(=O)NC2(C[NH3+])CCCC2)cc1[N+](=O)[O-] ZINC000111832671 407417254 /nfs/dbraw/zinc/41/72/54/407417254.db2.gz MWSHSDACKMWWLJ-UHFFFAOYSA-N 1 0 313.379 1.453 20 5 DDBDRO C[C@H]1C[C@H](N(C)C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000127915525 407479646 /nfs/dbraw/zinc/47/96/46/407479646.db2.gz DMVIHVFDNNADGT-CMPLNLGQSA-N 1 0 306.366 1.732 20 5 DDBDRO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261608976 407551200 /nfs/dbraw/zinc/55/12/00/407551200.db2.gz DNFMAYATXSKMDA-KOLCDFICSA-N 1 0 309.753 1.930 20 5 DDBDRO C[NH+](C)[C@@H]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000151853224 407515079 /nfs/dbraw/zinc/51/50/79/407515079.db2.gz IAOAUJSZYOHJIC-CYBMUJFWSA-N 1 0 309.341 1.829 20 5 DDBDRO C[C@@H](C[NH+]1CCOCC1)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000271121632 407525277 /nfs/dbraw/zinc/52/52/77/407525277.db2.gz OAJBWLYKKGIGMB-LBPRGKRZSA-N 1 0 307.350 1.179 20 5 DDBDRO C[NH2+][C@H]1CCCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000261743765 407597504 /nfs/dbraw/zinc/59/75/04/407597504.db2.gz KXLKWOHBGFHFDJ-LBPRGKRZSA-N 1 0 306.366 1.526 20 5 DDBDRO CN(C(=O)C[N@H+](C)CC1(O)CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000152254712 407594522 /nfs/dbraw/zinc/59/45/22/407594522.db2.gz ZWZFIIGCSBJJBU-UHFFFAOYSA-N 1 0 321.377 1.795 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@](C)(C[NH3+])CC(C)C ZINC000236680437 407748504 /nfs/dbraw/zinc/74/85/04/407748504.db2.gz BBRRFEIKNGHGMG-CQSZACIVSA-N 1 0 311.386 1.370 20 5 DDBDRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000186705413 407750607 /nfs/dbraw/zinc/75/06/07/407750607.db2.gz XPIMQBQFJJMELX-WCQYABFASA-N 1 0 306.366 1.511 20 5 DDBDRO CCOc1ccc(C(=O)NC[C@@H]2CCCC[NH2+]2)cc1[N+](=O)[O-] ZINC000236905818 407782130 /nfs/dbraw/zinc/78/21/30/407782130.db2.gz DJBBMPKPMRBYDU-LBPRGKRZSA-N 1 0 307.350 1.865 20 5 DDBDRO NC(=O)NC(=O)CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153276868 407792407 /nfs/dbraw/zinc/79/24/07/407792407.db2.gz QBZOEIAQIWFSBQ-UHFFFAOYSA-N 1 0 306.322 1.144 20 5 DDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H](C[NH3+])C2CC2)cc1OC ZINC000237050803 407793415 /nfs/dbraw/zinc/79/34/15/407793415.db2.gz RARRZCBTWZYKME-LLVKDONJSA-N 1 0 323.349 1.469 20 5 DDBDRO COc1cc(C[NH2+]C[C@H]2CCCN2C)c([N+](=O)[O-])cc1OC ZINC000237277851 407808908 /nfs/dbraw/zinc/80/89/08/407808908.db2.gz CUPRTEHPFSMQJY-GFCCVEGCSA-N 1 0 309.366 1.796 20 5 DDBDRO C[NH2+]CC1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000237360626 407814892 /nfs/dbraw/zinc/81/48/92/407814892.db2.gz HOPMXEOJMQPIPE-UHFFFAOYSA-N 1 0 319.408 1.276 20 5 DDBDRO C[C@@H]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000262434095 407834151 /nfs/dbraw/zinc/83/41/51/407834151.db2.gz GEQLWFRRHHJBDY-MFKMUULPSA-N 1 0 306.366 1.253 20 5 DDBDRO Cc1nn(CCC(=O)N2CCC[C@H](C)[C@H]2C[NH3+])c(C)c1[N+](=O)[O-] ZINC000237692987 407834950 /nfs/dbraw/zinc/83/49/50/407834950.db2.gz LABLUZMZRUNRNN-GXFFZTMASA-N 1 0 323.397 1.384 20 5 DDBDRO O=[N+]([O-])c1cccc(CS(=O)(=O)NC[C@@H]2CCC[NH2+]C2)c1 ZINC000237971161 407861716 /nfs/dbraw/zinc/86/17/16/407861716.db2.gz XJFLOFRSUBBVGH-GFCCVEGCSA-N 1 0 313.379 1.014 20 5 DDBDRO C[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H](C)[NH2+]1 ZINC000153702152 407884850 /nfs/dbraw/zinc/88/48/50/407884850.db2.gz SNIUDIBIPJOIFH-UWVGGRQHSA-N 1 0 311.769 2.000 20 5 DDBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000180525366 407898159 /nfs/dbraw/zinc/89/81/59/407898159.db2.gz DZCPSLWURQJLGZ-SNVBAGLBSA-N 1 0 307.354 1.176 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC[N@@H+](C)C(C)C ZINC000118123670 407899635 /nfs/dbraw/zinc/89/96/35/407899635.db2.gz LIKNQBDRJXYMEC-UHFFFAOYSA-N 1 0 322.365 1.298 20 5 DDBDRO C[C@H]1CN(C(=O)CCOc2ccccc2[N+](=O)[O-])[C@@H](C)C[NH2+]1 ZINC000272548232 407974462 /nfs/dbraw/zinc/97/44/62/407974462.db2.gz KLNPVQDSCIRHCM-RYUDHWBXSA-N 1 0 307.350 1.573 20 5 DDBDRO Cc1ccc(S(=O)(=O)N2CC[NH2+][C@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000262769107 407922331 /nfs/dbraw/zinc/92/23/31/407922331.db2.gz LTSXPNQECVUCPH-MNOVXSKESA-N 1 0 313.379 1.274 20 5 DDBDRO CN(C)C(=O)CC[NH+]1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000268410446 408033645 /nfs/dbraw/zinc/03/36/45/408033645.db2.gz SSEHFACVLHMFSH-UHFFFAOYSA-N 1 0 324.356 1.334 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H](CO)C1 ZINC000182171069 408085336 /nfs/dbraw/zinc/08/53/36/408085336.db2.gz TYTJKUCFSCMHCS-QWHCGFSZSA-N 1 0 310.350 1.039 20 5 DDBDRO COCCO[C@@H]1CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000189721503 408089780 /nfs/dbraw/zinc/08/97/80/408089780.db2.gz IKEGWUIPIRWDDO-CABCVRRESA-N 1 0 310.350 1.366 20 5 DDBDRO COCCO[C@@H]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000189732386 408092644 /nfs/dbraw/zinc/09/26/44/408092644.db2.gz NVKKFGSPSKVGRQ-GFCCVEGCSA-N 1 0 321.333 1.973 20 5 DDBDRO Cc1ccc([C@H](C)[NH2+]CCCNS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000121192682 408160549 /nfs/dbraw/zinc/16/05/49/408160549.db2.gz WVEVOTYUKPFAQV-NSHDSACASA-N 1 0 315.395 1.493 20 5 DDBDRO CO[C@H](C)[C@@H](C)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000273417185 408189701 /nfs/dbraw/zinc/18/97/01/408189701.db2.gz ISKYPNOSDMPMSE-GHMZBOCLSA-N 1 0 316.379 1.382 20 5 DDBDRO CCc1n[nH]c(C(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000263666827 408198148 /nfs/dbraw/zinc/19/81/48/408198148.db2.gz LCJKLHUCUXTDBR-GHMZBOCLSA-N 1 0 323.397 1.731 20 5 DDBDRO O=C(NCCCC[N@H+]1CCC[C@H]1CO)c1ccccc1[N+](=O)[O-] ZINC000269428248 408305899 /nfs/dbraw/zinc/30/58/99/408305899.db2.gz QKWQTGVMNADCKH-ZDUSSCGKSA-N 1 0 321.377 1.562 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000269549196 408351474 /nfs/dbraw/zinc/35/14/74/408351474.db2.gz XJARPNMCFVNIPB-WDEREUQCSA-N 1 0 323.397 1.854 20 5 DDBDRO O=C(Nc1ccncc1[N+](=O)[O-])N1CC[NH+](CC2CC2)CC1 ZINC000183602814 408451206 /nfs/dbraw/zinc/45/12/06/408451206.db2.gz FFEPNKJIAQADAR-UHFFFAOYSA-N 1 0 305.338 1.549 20 5 DDBDRO CC(C)[N@@H+]1CCC[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000274433779 408403706 /nfs/dbraw/zinc/40/37/06/408403706.db2.gz GHVURZFCBMBNIY-LLVKDONJSA-N 1 0 324.356 1.919 20 5 DDBDRO Cc1n[nH]c(C(=O)N(C)C2CC[NH+](C(C)C)CC2)c1[N+](=O)[O-] ZINC000264283251 408424870 /nfs/dbraw/zinc/42/48/70/408424870.db2.gz ODQWXRKRYZSGNU-UHFFFAOYSA-N 1 0 309.370 1.571 20 5 DDBDRO Cc1ccc(NCCCNC(=O)[C@H]2CCCC[NH2+]2)c([N+](=O)[O-])c1 ZINC000160482701 408487386 /nfs/dbraw/zinc/48/73/86/408487386.db2.gz OOUPLWHAXIXYPT-CQSZACIVSA-N 1 0 320.393 1.964 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)n1 ZINC000191797460 408493291 /nfs/dbraw/zinc/49/32/91/408493291.db2.gz LVQCQUQTXGXUMR-NSHDSACASA-N 1 0 307.354 1.122 20 5 DDBDRO COCC1(O)CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000270356791 408500757 /nfs/dbraw/zinc/50/07/57/408500757.db2.gz JDDRYOOWONLSLN-UHFFFAOYSA-N 1 0 310.350 1.447 20 5 DDBDRO C[C@@H]1C[C@@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)C[N@@H+]1C1CC1 ZINC000177052907 408508292 /nfs/dbraw/zinc/50/82/92/408508292.db2.gz MAQJNIZZMIJFJP-DGCLKSJQSA-N 1 0 303.362 1.879 20 5 DDBDRO CO[C@@H](C)[C@H](C)[NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000191715175 408475362 /nfs/dbraw/zinc/47/53/62/408475362.db2.gz DUVLAODOPVRKNJ-COPLHBTASA-N 1 0 307.350 1.713 20 5 DDBDRO COc1cc(C[NH2+]CC2(CO)CCC2)c([N+](=O)[O-])cc1OC ZINC000184373993 408601362 /nfs/dbraw/zinc/60/13/62/408601362.db2.gz GOIIXVQMVXOQOX-UHFFFAOYSA-N 1 0 310.350 1.864 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000177205431 408552988 /nfs/dbraw/zinc/55/29/88/408552988.db2.gz YFHHWYWDYAIPOT-GHMZBOCLSA-N 1 0 319.361 1.958 20 5 DDBDRO C[N@H+](CCCO)C1CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000265198930 408578768 /nfs/dbraw/zinc/57/87/68/408578768.db2.gz JEBNNRWFDGWNSB-UHFFFAOYSA-N 1 0 313.423 1.935 20 5 DDBDRO Cc1nn(CCC(=O)NCC2([NH+](C)C)CCC2)c(C)c1[N+](=O)[O-] ZINC000275706495 408654877 /nfs/dbraw/zinc/65/48/77/408654877.db2.gz CDMJOLSGDHNWKX-UHFFFAOYSA-N 1 0 323.397 1.399 20 5 DDBDRO NC(=O)[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000184842479 408701513 /nfs/dbraw/zinc/70/15/13/408701513.db2.gz XNRNVBAXEMRIKI-QWRGUYRKSA-N 1 0 320.349 1.167 20 5 DDBDRO C[C@H]1CN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CCO1 ZINC000185144622 408768781 /nfs/dbraw/zinc/76/87/81/408768781.db2.gz VJKLRYLQCFULDH-JTQLQIEISA-N 1 0 311.313 1.783 20 5 DDBDRO CC[NH+]1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000185166041 408772934 /nfs/dbraw/zinc/77/29/34/408772934.db2.gz KEKVVFRLYNGMML-UHFFFAOYSA-N 1 0 324.356 1.700 20 5 DDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000280825443 408842039 /nfs/dbraw/zinc/84/20/39/408842039.db2.gz NXNOUALBXMPBPR-CJNGLKHVSA-N 1 0 303.362 1.943 20 5 DDBDRO COC[C@H](CO)[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000280969518 408867012 /nfs/dbraw/zinc/86/70/12/408867012.db2.gz LFUBGLYCWDGWRW-AEGPPILISA-N 1 0 308.378 1.903 20 5 DDBDRO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000285999975 408905167 /nfs/dbraw/zinc/90/51/67/408905167.db2.gz IQXKSOBOAOSTHP-HFAKWTLXSA-N 1 0 306.366 1.509 20 5 DDBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000291600426 408892301 /nfs/dbraw/zinc/89/23/01/408892301.db2.gz RUBQYWQEKKJCKN-SNVBAGLBSA-N 1 0 311.386 1.487 20 5 DDBDRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1Cc1csc([N+](=O)[O-])c1 ZINC000189460033 163101954 /nfs/dbraw/zinc/10/19/54/163101954.db2.gz ZXSDTJMDVLHYGU-LLVKDONJSA-N 1 0 313.423 1.933 20 5 DDBDRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000291760809 408918967 /nfs/dbraw/zinc/91/89/67/408918967.db2.gz DBJYPZZBHZZQDY-SNVBAGLBSA-N 1 0 324.337 1.962 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@]2(CO)CCCc3ccccc32)c1 ZINC000281731982 408919974 /nfs/dbraw/zinc/91/99/74/408919974.db2.gz PVOODNGOKMTOIR-INIZCTEOSA-N 1 0 316.361 1.605 20 5 DDBDRO Nc1ccc([N+](=O)[O-])c(N2CC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000192795864 163238756 /nfs/dbraw/zinc/23/87/56/163238756.db2.gz AAVSBROGWOZUOZ-LBPRGKRZSA-N 1 0 306.366 1.336 20 5 DDBDRO CC[N@@H+]1CCN(c2ccc(C(=O)NC)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000286319415 408963525 /nfs/dbraw/zinc/96/35/25/408963525.db2.gz KVCZYQYXKRHEBW-LLVKDONJSA-N 1 0 306.366 1.485 20 5 DDBDRO C[C@@H](C[NH+](C)C)Nc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000286419743 408982009 /nfs/dbraw/zinc/98/20/09/408982009.db2.gz MXVIGPLTOPKJGL-JTQLQIEISA-N 1 0 306.366 1.849 20 5 DDBDRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000292149898 408990589 /nfs/dbraw/zinc/99/05/89/408990589.db2.gz VEYBTMWOQQVHLM-SECBINFHSA-N 1 0 312.345 1.775 20 5 DDBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000293373628 409099714 /nfs/dbraw/zinc/09/97/14/409099714.db2.gz JIIXDRMVULFSSF-XQQFMLRXSA-N 1 0 320.393 1.946 20 5 DDBDRO COC[C@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)[C@@H]1CCCO1 ZINC000279091239 409147911 /nfs/dbraw/zinc/14/79/11/409147911.db2.gz PIGBTSGQRFHKNK-GJZGRUSLSA-N 1 0 310.350 1.757 20 5 DDBDRO Cc1ccc(C(=O)N[C@@H](CO)C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000288132634 409151018 /nfs/dbraw/zinc/15/10/18/409151018.db2.gz AXGHREWJZLUPNG-CQSZACIVSA-N 1 0 321.377 1.480 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@H](C)C[NH+](C)C ZINC000293709416 409165880 /nfs/dbraw/zinc/16/58/80/409165880.db2.gz JAAFIDNGJPADGR-NSHDSACASA-N 1 0 309.366 1.921 20 5 DDBDRO COc1cc(C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)ccc1[N+](=O)[O-] ZINC000261646962 163678382 /nfs/dbraw/zinc/67/83/82/163678382.db2.gz FLQUDRKRDDTFRQ-AVGNSLFASA-N 1 0 319.361 1.803 20 5 DDBDRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])o3)[C@H]2C1 ZINC000293791947 409181819 /nfs/dbraw/zinc/18/18/19/409181819.db2.gz CQKCUUSBRLHYSW-WDEREUQCSA-N 1 0 309.322 1.123 20 5 DDBDRO C[C@H]([NH2+]CCCN1CCC(O)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283891232 409234873 /nfs/dbraw/zinc/23/48/73/409234873.db2.gz COVNKIMKJCWNJM-LBPRGKRZSA-N 1 0 322.409 1.674 20 5 DDBDRO COC[C@]1(CNC(=O)c2ccc([N+](=O)[O-])c(OC)c2)CCC[NH2+]1 ZINC000261934443 163731636 /nfs/dbraw/zinc/73/16/36/163731636.db2.gz TUUAOIAJPMXVQT-OAHLLOKOSA-N 1 0 323.349 1.102 20 5 DDBDRO O=C(CCc1cccc([N+](=O)[O-])c1)NCC[N@H+]1CC=CCC1 ZINC000280365856 409300378 /nfs/dbraw/zinc/30/03/78/409300378.db2.gz YKUNJKUMHLZLGQ-UHFFFAOYSA-N 1 0 303.362 1.906 20 5 DDBDRO COC[C@]1(CNC(=O)c2cccc([N+](=O)[O-])c2C)CCC[NH2+]1 ZINC000262454549 163832281 /nfs/dbraw/zinc/83/22/81/163832281.db2.gz IBDPKPNZMGFVBM-OAHLLOKOSA-N 1 0 307.350 1.402 20 5 DDBDRO C[C@H]1CN(CCOc2cccc([N+](=O)[O-])c2)C[C@]2(CCOC2)O1 ZINC000280507070 409334039 /nfs/dbraw/zinc/33/40/39/409334039.db2.gz NINIUUHUPPEYNQ-BBRMVZONSA-N 1 0 322.361 1.853 20 5 DDBDRO COc1ccc(C[NH2+][C@@H]2CCCN(CCCO)C2)cc1[N+](=O)[O-] ZINC000295134031 409336863 /nfs/dbraw/zinc/33/68/63/409336863.db2.gz OXOHKEVZNGZZSU-CQSZACIVSA-N 1 0 323.393 1.540 20 5 DDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000290257810 409340254 /nfs/dbraw/zinc/34/02/54/409340254.db2.gz XDCVZSCVCHDBCA-HNNXBMFYSA-N 1 0 317.389 1.985 20 5 DDBDRO C[C@H]([N@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C(C)(C)O ZINC000295142834 409342966 /nfs/dbraw/zinc/34/29/66/409342966.db2.gz LDWJYJVEMNUJLV-NSHDSACASA-N 1 0 321.377 1.575 20 5 DDBDRO C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2N)CC[N@@H+](C2CC2)C1 ZINC000295255411 409399534 /nfs/dbraw/zinc/39/95/34/409399534.db2.gz FNNBPGDCEZCLCJ-NSHDSACASA-N 1 0 318.377 1.733 20 5 DDBDRO Cc1ccc(S(=O)(=O)N[C@@H](C)CCC[NH3+])cc1[N+](=O)[O-] ZINC000313557497 164010758 /nfs/dbraw/zinc/01/07/58/164010758.db2.gz SXJBPOJTKNXXDI-JTQLQIEISA-N 1 0 301.368 1.309 20 5 DDBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc([N+](=O)[O-])c1NC ZINC000317055390 164025503 /nfs/dbraw/zinc/02/55/03/164025503.db2.gz HPAACSPRULOOBT-LLVKDONJSA-N 1 0 306.366 1.851 20 5 DDBDRO CNc1c(C(=O)N2CCC[C@@H]([NH+](C)C)C2)cccc1[N+](=O)[O-] ZINC000317388606 164026783 /nfs/dbraw/zinc/02/67/83/164026783.db2.gz FOJCNLVHAMJIQT-LLVKDONJSA-N 1 0 306.366 1.803 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCCC2CC[NH+](C)CC2)n1 ZINC000323430756 164048724 /nfs/dbraw/zinc/04/87/24/164048724.db2.gz QMBNXEILRWLJSV-UHFFFAOYSA-N 1 0 322.365 1.920 20 5 DDBDRO C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3ccc(F)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000408056060 164211299 /nfs/dbraw/zinc/21/12/99/164211299.db2.gz CIYUCHIIYSYRMJ-KGLIPLIRSA-N 1 0 323.324 1.279 20 5 DDBDRO Cn1c(C(=O)N(CCC[NH3+])Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000303987756 409562524 /nfs/dbraw/zinc/56/25/24/409562524.db2.gz MISLBHXXAXLYLY-UHFFFAOYSA-N 1 0 316.361 1.925 20 5 DDBDRO Cn1cnnc1C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000331505198 409579680 /nfs/dbraw/zinc/57/96/80/409579680.db2.gz BSGYUCODAZREGN-MNOVXSKESA-N 1 0 305.342 1.193 20 5 DDBDRO CC(=O)N1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000331593378 409671530 /nfs/dbraw/zinc/67/15/30/409671530.db2.gz KUVSOBHFGWOELM-BFHYXJOUSA-N 1 0 321.381 1.485 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[N@@H+](C)[C@@H](C)[C@H]1C ZINC000356979643 409763875 /nfs/dbraw/zinc/76/38/75/409763875.db2.gz DMPQLUPTUSTFHT-QWHCGFSZSA-N 1 0 320.393 1.866 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[N@@H+](C)[C@H](C)[C@H]1C ZINC000356979641 409764893 /nfs/dbraw/zinc/76/48/93/409764893.db2.gz DMPQLUPTUSTFHT-CHWSQXEVSA-N 1 0 320.393 1.866 20 5 DDBDRO [NH3+]C[C@H]1CN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CCCO1 ZINC000313387683 409805178 /nfs/dbraw/zinc/80/51/78/409805178.db2.gz SKMXEKPICOZFOF-GJBLVYBDSA-N 1 0 305.334 1.184 20 5 DDBDRO CCC[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@@H]1CC(=O)N(C)C1=O ZINC000338332325 409916627 /nfs/dbraw/zinc/91/66/27/409916627.db2.gz KEZCUWPAAFYHPL-CQSZACIVSA-N 1 0 319.361 1.607 20 5 DDBDRO CN(C(=O)CN1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000357092799 409865987 /nfs/dbraw/zinc/86/59/87/409865987.db2.gz XMSOQAXMJYDXKQ-STQMWFEESA-N 1 0 318.377 1.099 20 5 DDBDRO COc1c(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000354580873 409948416 /nfs/dbraw/zinc/94/84/16/409948416.db2.gz DCVPVFAROQESSF-NEPJUHHUSA-N 1 0 319.361 1.960 20 5 DDBDRO CCC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC[N@@H+]1CCOC ZINC000346560370 410018403 /nfs/dbraw/zinc/01/84/03/410018403.db2.gz BBGQMSJMAUJAKR-LBPRGKRZSA-N 1 0 324.381 1.496 20 5 DDBDRO C[NH+](C)CCNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000192808324 306726035 /nfs/dbraw/zinc/72/60/35/306726035.db2.gz XXJBVHQXIVUSOE-UHFFFAOYSA-N 1 0 303.322 1.072 20 5 DDBDRO CCNC(=O)[C@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)C(C)C ZINC000339323479 410094185 /nfs/dbraw/zinc/09/41/85/410094185.db2.gz LDAMVHDTRFXIFX-CQSZACIVSA-N 1 0 309.366 1.724 20 5 DDBDRO C[C@H]([NH3+])[C@@H]1CCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000351856778 410294184 /nfs/dbraw/zinc/29/41/84/410294184.db2.gz WFYKWZVJQYHVRZ-NWDGAFQWSA-N 1 0 306.366 1.227 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@H]([C@H](C)[NH3+])C1 ZINC000351861724 410300820 /nfs/dbraw/zinc/30/08/20/410300820.db2.gz MABGXQZQRQDGFE-RYUDHWBXSA-N 1 0 306.366 1.511 20 5 DDBDRO C[NH+](C)CC[C@](C)(O)CNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000352111828 410486930 /nfs/dbraw/zinc/48/69/30/410486930.db2.gz NNVVEFMPXRPIBS-LBPRGKRZSA-N 1 0 301.368 1.089 20 5 DDBDRO CC1(C2CC2)CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000352176456 410523465 /nfs/dbraw/zinc/52/34/65/410523465.db2.gz OZPHGAHQCLSQJU-AWEZNQCLSA-N 1 0 308.382 1.664 20 5 DDBDRO Cn1c(C(=O)NCC[N@H+](C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000347406526 410527853 /nfs/dbraw/zinc/52/78/53/410527853.db2.gz JIVHYPKQILZKDV-UHFFFAOYSA-N 1 0 316.361 1.795 20 5 DDBDRO COC1CC([N@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000352209575 410548269 /nfs/dbraw/zinc/54/82/69/410548269.db2.gz CARKFRSAMJYRSB-OTTFEQOBSA-N 1 0 310.350 1.444 20 5 DDBDRO C[C@@H]1[C@H](C)N(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000343719440 410647190 /nfs/dbraw/zinc/64/71/90/410647190.db2.gz CZLLPQJUQRXBKB-RDBSUJKOSA-N 1 0 323.393 1.359 20 5 DDBDRO Cc1nn(C)c(N2CC[C@H](C[NH+]3CCCCC3)C2)c1[N+](=O)[O-] ZINC000301419717 410717033 /nfs/dbraw/zinc/71/70/33/410717033.db2.gz BRMIWNYJHWFBCQ-CYBMUJFWSA-N 1 0 307.398 1.949 20 5 DDBDRO CS[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@H]1[NH+](C)C ZINC000330500415 410731031 /nfs/dbraw/zinc/73/10/31/410731031.db2.gz OSJDYFNCPLIRIM-KGLIPLIRSA-N 1 0 323.418 1.641 20 5 DDBDRO COc1cc(CN2CC[N@H+](C[C@H](C)O)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000337375109 410744909 /nfs/dbraw/zinc/74/49/09/410744909.db2.gz ZVPPBUKJRAWFPF-OLZOCXBDSA-N 1 0 323.393 1.490 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000347936530 410801256 /nfs/dbraw/zinc/80/12/56/410801256.db2.gz CUWZULOLKDWPIQ-GFCCVEGCSA-N 1 0 309.370 1.089 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[N@H+]2CCCC[C@@H]2[C@H](O)C(F)(F)F)n1 ZINC000340205519 410750199 /nfs/dbraw/zinc/75/01/99/410750199.db2.gz YLPRUAYYCKUGKA-KOLCDFICSA-N 1 0 322.287 1.569 20 5 DDBDRO CC(C)[C@@H](C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)[NH+](C)C ZINC000348195207 410850497 /nfs/dbraw/zinc/85/04/97/410850497.db2.gz LJOHLCBDJUVMDP-HNNXBMFYSA-N 1 0 321.377 1.771 20 5 DDBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])nn1C)[N@@H+]1CCCC[C@@H]1C ZINC000356149519 410864002 /nfs/dbraw/zinc/86/40/02/410864002.db2.gz HCCQAEIFKJKYQX-QWRGUYRKSA-N 1 0 309.370 1.321 20 5 DDBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])n2C)[C@@H](C)C1 ZINC000356284387 410943718 /nfs/dbraw/zinc/94/37/18/410943718.db2.gz PBYBKJYFDVZRCO-NWDGAFQWSA-N 1 0 308.382 1.736 20 5 DDBDRO CN1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC1(C)C ZINC000580210928 422903664 /nfs/dbraw/zinc/90/36/64/422903664.db2.gz IMNOFRLFMOZLPF-UHFFFAOYSA-N 1 0 321.333 1.490 20 5 DDBDRO CC[C@H]1C[N@H+](C)CCN1C(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000580246363 422907013 /nfs/dbraw/zinc/90/70/13/422907013.db2.gz YRMVRUGFUGHHND-ZDUSSCGKSA-N 1 0 321.377 1.699 20 5 DDBDRO CCCc1n[nH]c(C(=O)N2CCC3(CC[NH2+]3)CC2)c1[N+](=O)[O-] ZINC000580773525 422952822 /nfs/dbraw/zinc/95/28/22/422952822.db2.gz OILYNJQBZSLPET-UHFFFAOYSA-N 1 0 307.354 1.239 20 5 DDBDRO C[C@@H]([NH3+])[C@H]1CCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000132292980 196242414 /nfs/dbraw/zinc/24/24/14/196242414.db2.gz OXGZPSSHQHRJFX-PWSUYJOCSA-N 1 0 313.379 1.094 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000132297589 196243154 /nfs/dbraw/zinc/24/31/54/196243154.db2.gz ZUOQHKBOYKDMGM-GHMZBOCLSA-N 1 0 313.379 1.261 20 5 DDBDRO C[NH2+][C@@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)C1 ZINC000133046166 196307473 /nfs/dbraw/zinc/30/74/73/196307473.db2.gz WTZXQBARJWNIFA-LLVKDONJSA-N 1 0 313.379 1.194 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000417181337 225235463 /nfs/dbraw/zinc/23/54/63/225235463.db2.gz OAAVTJGMRLIWGC-GWCFXTLKSA-N 1 0 322.365 1.401 20 5 DDBDRO C[C@H]1CN(C(=O)NCCc2ccccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000417767714 225432098 /nfs/dbraw/zinc/43/20/98/225432098.db2.gz QUTOWININVZWTJ-WCQYABFASA-N 1 0 306.366 1.516 20 5 DDBDRO Cn1ccnc1[C@H](N[C@@H]1CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000423178631 227391182 /nfs/dbraw/zinc/39/11/82/227391182.db2.gz CGLWDTBKRYKZDT-UKRRQHHQSA-N 1 0 315.377 1.759 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000373929380 418474080 /nfs/dbraw/zinc/47/40/80/418474080.db2.gz OJIZHBWNPJVSBB-JSGCOSHPSA-N 1 0 319.361 1.717 20 5 DDBDRO Cc1ccnc(N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c1[N+](=O)[O-] ZINC000374234458 418509154 /nfs/dbraw/zinc/50/91/54/418509154.db2.gz OVLPXKULEALOJG-STQMWFEESA-N 1 0 306.366 1.334 20 5 DDBDRO C[C@H]1C[N@H+](C)C[C@H]1c1nc(-c2ccc(N)c([N+](=O)[O-])c2)no1 ZINC000361027803 418568899 /nfs/dbraw/zinc/56/88/99/418568899.db2.gz ZUFJEMGAWFFTDD-WCBMZHEXSA-N 1 0 303.322 1.892 20 5 DDBDRO C[C@@H]1c2ccccc2C[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000361044806 418572706 /nfs/dbraw/zinc/57/27/06/418572706.db2.gz JPOHSSPNVXSZEB-RISCZKNCSA-N 1 0 302.334 1.729 20 5 DDBDRO CO[C@H]1CCC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000360997251 418562296 /nfs/dbraw/zinc/56/22/96/418562296.db2.gz FUHRKIWPZCWMME-CABCVRRESA-N 1 0 324.377 1.835 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H](CC(C)C)[NH+](C)C)n1 ZINC000191813207 222109970 /nfs/dbraw/zinc/10/99/70/222109970.db2.gz NVEQGJYPGPGFEA-NSHDSACASA-N 1 0 311.386 1.517 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccnn1CC[NH+](C)C ZINC000293916410 418581025 /nfs/dbraw/zinc/58/10/25/418581025.db2.gz ARLMUTUJNOJIBI-UHFFFAOYSA-N 1 0 317.349 1.914 20 5 DDBDRO Cc1cc(NC(=O)N2CCN(CCO)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000189309483 222042326 /nfs/dbraw/zinc/04/23/26/222042326.db2.gz PAIVTQZEVCATCD-GFCCVEGCSA-N 1 0 322.365 1.434 20 5 DDBDRO CNS(=O)(=O)CC[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000190307984 222076107 /nfs/dbraw/zinc/07/61/07/222076107.db2.gz JESFELMRLLXBTA-UHFFFAOYSA-N 1 0 315.395 1.357 20 5 DDBDRO C[C@@H](Nc1nccc(C(N)=O)c1[N+](=O)[O-])C1=CC[N@H+](C)CC1 ZINC000291035609 222089057 /nfs/dbraw/zinc/08/90/57/222089057.db2.gz ZHDAHUICKLLSCK-SECBINFHSA-N 1 0 305.338 1.151 20 5 DDBDRO C[C@@H]1CCOCC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000374992226 418585216 /nfs/dbraw/zinc/58/52/16/418585216.db2.gz WLEHDDKDNVWDMB-TZMCWYRMSA-N 1 0 310.350 1.445 20 5 DDBDRO C[N@@H+]1CC[C@@](O)(CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000358056815 418653235 /nfs/dbraw/zinc/65/32/35/418653235.db2.gz BQPBHOINOVFAMS-CYBMUJFWSA-N 1 0 313.741 1.045 20 5 DDBDRO COc1cc(C[N@H+](CCO)[C@H]2CCO[C@H]2C)ccc1[N+](=O)[O-] ZINC000361585427 418685501 /nfs/dbraw/zinc/68/55/01/418685501.db2.gz IIPOHVDRKVSNAG-AAEUAGOBSA-N 1 0 310.350 1.575 20 5 DDBDRO Cc1c(CC(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)cccc1[N+](=O)[O-] ZINC000422881041 227236655 /nfs/dbraw/zinc/23/66/55/227236655.db2.gz NDAMFQHJJMZDJT-KGLIPLIRSA-N 1 0 303.362 1.799 20 5 DDBDRO C[C@H]1CC[NH2+][C@@H](C(=O)NCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000422939802 227270909 /nfs/dbraw/zinc/27/09/09/227270909.db2.gz RVDKKUXTYYBYPX-SMDDNHRTSA-N 1 0 306.366 1.511 20 5 DDBDRO COC[C@@]1(C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC[NH2+]C1 ZINC000423269731 227423055 /nfs/dbraw/zinc/42/30/55/227423055.db2.gz FVBNMUWKSDNCQF-BLLLJJGKSA-N 1 0 321.377 1.707 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(CC(=O)NCCC[NH+](C)C)c1F ZINC000411167027 418876252 /nfs/dbraw/zinc/87/62/52/418876252.db2.gz WSUZWVKUHPYGSX-UHFFFAOYSA-N 1 0 313.329 1.353 20 5 DDBDRO Cn1ccnc1[C@@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000365651416 418888740 /nfs/dbraw/zinc/88/87/40/418888740.db2.gz VYDNMSQSNIDZPW-GFCCVEGCSA-N 1 0 304.354 1.404 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000365668953 418892576 /nfs/dbraw/zinc/89/25/76/418892576.db2.gz FRJSIHHGNJGEEN-CHWSQXEVSA-N 1 0 319.361 1.496 20 5 DDBDRO O=[N+]([O-])c1cnc2ccc(N[C@H]3CC[N@@H+]4CCC[C@H]4C3)nn21 ZINC000372703426 418893744 /nfs/dbraw/zinc/89/37/44/418893744.db2.gz IDOIEHMCTDHWSJ-QWRGUYRKSA-N 1 0 302.338 1.676 20 5 DDBDRO [NH3+][C@@H]1CCC[C@]12CCN(C(=O)Cc1ccccc1[N+](=O)[O-])C2 ZINC000372777088 418900643 /nfs/dbraw/zinc/90/06/43/418900643.db2.gz SDHFMFHROSRRMT-GDBMZVCRSA-N 1 0 303.362 1.867 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H]1CCCC[C@H]1n1cccn1 ZINC000372268926 418849489 /nfs/dbraw/zinc/84/94/89/418849489.db2.gz USSJRNJYJVIXGD-VXGBXAGGSA-N 1 0 304.354 1.798 20 5 DDBDRO Cc1ccnc(N[C@H]2CCN(C3CC[NH+](C)CC3)C2)c1[N+](=O)[O-] ZINC000372957581 418916580 /nfs/dbraw/zinc/91/65/80/418916580.db2.gz ZUEOVVYAFGBGQL-ZDUSSCGKSA-N 1 0 319.409 1.879 20 5 DDBDRO O=[N+]([O-])c1ccn(C2CC[NH+](CCO[C@H]3CCCCO3)CC2)n1 ZINC000365866542 418917362 /nfs/dbraw/zinc/91/73/62/418917362.db2.gz CAOUAOJSMYBBSA-HNNXBMFYSA-N 1 0 324.381 1.971 20 5 DDBDRO C[C@@H]1C[C@H](CO)C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000420948117 419377851 /nfs/dbraw/zinc/37/78/51/419377851.db2.gz VJWNIIKPZQWSPE-IPYPFGDCSA-N 1 0 324.377 1.285 20 5 DDBDRO CN(Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C[C@H]1CCC[N@@H+]1C ZINC000420991712 419430168 /nfs/dbraw/zinc/43/01/68/419430168.db2.gz ALMKDELMWJXZSQ-GFCCVEGCSA-N 1 0 303.366 1.997 20 5 DDBDRO C[C@@H](NC(=O)NC[C@H]1CCC[NH2+]C1)c1ccccc1[N+](=O)[O-] ZINC000417995376 419458795 /nfs/dbraw/zinc/45/87/95/419458795.db2.gz ZMMKKZOYOQXMFF-NEPJUHHUSA-N 1 0 306.366 1.955 20 5 DDBDRO Cc1c(CNC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000418081433 419515657 /nfs/dbraw/zinc/51/56/57/419515657.db2.gz ODOFUCBAPAIKRH-CHWSQXEVSA-N 1 0 306.366 1.972 20 5 DDBDRO COc1cc(C[NH2+]C2CCN(OC)CC2)c([N+](=O)[O-])cc1O ZINC000421391201 419594417 /nfs/dbraw/zinc/59/44/17/419594417.db2.gz AAKMQNHENAFJBB-UHFFFAOYSA-N 1 0 311.338 1.424 20 5 DDBDRO CNC(=O)NC1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000412054644 419597953 /nfs/dbraw/zinc/59/79/53/419597953.db2.gz MKWDXUKQMHDELS-UHFFFAOYSA-N 1 0 322.365 1.367 20 5 DDBDRO Cc1cc(OCC(=O)N(C)C[C@H]2CCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000421711529 419698492 /nfs/dbraw/zinc/69/84/92/419698492.db2.gz OOGHTXGXFTZLEY-CYBMUJFWSA-N 1 0 321.377 1.835 20 5 DDBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H]([NH3+])C1CC1 ZINC000414885052 419858856 /nfs/dbraw/zinc/85/88/56/419858856.db2.gz FZHOVYGFGKOITK-YGRLFVJLSA-N 1 0 306.366 1.639 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCCC[C@H]1C[NH3+] ZINC000430627000 228941114 /nfs/dbraw/zinc/94/11/14/228941114.db2.gz LPQATMSEWFGWON-LBPRGKRZSA-N 1 0 306.366 1.655 20 5 DDBDRO C[C@@H]1CN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@H](C)[NH2+]1 ZINC000430970478 228993767 /nfs/dbraw/zinc/99/37/67/228993767.db2.gz JXQUPTJDHJVFOX-TXEJJXNPSA-N 1 0 306.366 1.240 20 5 DDBDRO COc1cc(CN[C@@H]2CC[NH2+]C[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000414962921 419896090 /nfs/dbraw/zinc/89/60/90/419896090.db2.gz SYSCDVJLGFCTJI-ZYHUDNBSSA-N 1 0 309.366 1.700 20 5 DDBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2(N3CCOCC3)CC2)c(F)c1 ZINC000434789533 229332701 /nfs/dbraw/zinc/33/27/01/229332701.db2.gz YJYSKCVVTSNIMH-UHFFFAOYSA-N 1 0 309.341 1.688 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC(C)(C)CC[NH3+])c1C ZINC000422551935 419958904 /nfs/dbraw/zinc/95/89/04/419958904.db2.gz GDBXLCIMBBVVSV-UHFFFAOYSA-N 1 0 315.395 1.617 20 5 DDBDRO C[C@@H]1CC[C@@H]([N@H+](CCO)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000429794230 420049387 /nfs/dbraw/zinc/04/93/87/420049387.db2.gz WTQKGLWUFBGJIV-BXUZGUMPSA-N 1 0 321.377 1.677 20 5 DDBDRO C[NH2+]C[C@@H]1CCCN1C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000415431153 420063839 /nfs/dbraw/zinc/06/38/39/420063839.db2.gz DLPDOJBOVXFARM-NSHDSACASA-N 1 0 308.338 1.819 20 5 DDBDRO COc1ccc(NC(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000415437543 420066788 /nfs/dbraw/zinc/06/67/88/420066788.db2.gz KRYPLOAHAIAJOD-ZJUUUORDSA-N 1 0 308.338 1.804 20 5 DDBDRO Cc1ccc(NC(=O)C(=O)N2C[C@H](C)[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC000415557538 420110799 /nfs/dbraw/zinc/11/07/99/420110799.db2.gz JBVKZTCPKYLGBU-WDEREUQCSA-N 1 0 320.349 1.051 20 5 DDBDRO C[NH2+]C[C@@H]1CCCN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000430552363 420135563 /nfs/dbraw/zinc/13/55/63/420135563.db2.gz AZTJCOZMCABGIA-ZDUSSCGKSA-N 1 0 317.349 1.829 20 5 DDBDRO Cc1ccc(NC(=O)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000415649198 420136376 /nfs/dbraw/zinc/13/63/76/420136376.db2.gz PJMUTBQTAGAGEO-MNOVXSKESA-N 1 0 320.349 1.228 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000423526039 420072353 /nfs/dbraw/zinc/07/23/53/420072353.db2.gz KWVLYBFPSITKQR-WDEREUQCSA-N 1 0 307.350 1.803 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000415469932 420080237 /nfs/dbraw/zinc/08/02/37/420080237.db2.gz XLHARWUYXXWYRY-PWSUYJOCSA-N 1 0 320.349 1.037 20 5 DDBDRO CC[C@]1(C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)CCC[NH2+]1 ZINC000423826791 420210792 /nfs/dbraw/zinc/21/07/92/420210792.db2.gz MVTYHMGFIOYMIQ-OAHLLOKOSA-N 1 0 321.381 1.487 20 5 DDBDRO C[C@@H]1CN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@H](C)[NH2+]1 ZINC000430928451 420211054 /nfs/dbraw/zinc/21/10/54/420211054.db2.gz LOCALDHNEFFVRG-TYNCELHUSA-N 1 0 318.377 1.382 20 5 DDBDRO Cc1c(NC(=O)CCN2C[C@@H](C)[NH2+][C@H](C)C2)cccc1[N+](=O)[O-] ZINC000430931156 420211201 /nfs/dbraw/zinc/21/12/01/420211201.db2.gz VIBAGJUJJSTZAN-VXGBXAGGSA-N 1 0 320.393 1.914 20 5 DDBDRO O=C(COC1CC[NH2+]CC1)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000423732721 420148664 /nfs/dbraw/zinc/14/86/64/420148664.db2.gz ZVFPXYLPEHQVGY-UHFFFAOYSA-N 1 0 319.321 1.178 20 5 DDBDRO C[NH2+][C@H]1CCN([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000430601685 420153655 /nfs/dbraw/zinc/15/36/55/420153655.db2.gz FBTIHSSOMRVJKE-QWRGUYRKSA-N 1 0 322.365 1.224 20 5 DDBDRO [NH3+]C[C@H](NC(=O)CCOc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000423936386 420274291 /nfs/dbraw/zinc/27/42/91/420274291.db2.gz DBQTWTWHRSVQHZ-ZDUSSCGKSA-N 1 0 321.377 1.997 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N(C)C2CC([NH3+])C2)c1C ZINC000420477452 420308253 /nfs/dbraw/zinc/30/82/53/420308253.db2.gz ZPUZYPUMLDCERJ-UHFFFAOYSA-N 1 0 313.379 1.322 20 5 DDBDRO C[NH+](C)C1(CNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC000416309685 420323315 /nfs/dbraw/zinc/32/33/15/420323315.db2.gz BUPHAGYTKTYTKQ-UONOGXRCSA-N 1 0 303.362 1.909 20 5 DDBDRO Cc1ccc(S(=O)(=O)NC2(C)CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000420444268 420291733 /nfs/dbraw/zinc/29/17/33/420291733.db2.gz BZIOXIGUSLDWMX-UHFFFAOYSA-N 1 0 313.379 1.324 20 5 DDBDRO CC(C)c1ccc(C(=O)NC[C@@H]2C[NH2+]CCO2)cc1[N+](=O)[O-] ZINC000423994909 420298834 /nfs/dbraw/zinc/29/88/34/420298834.db2.gz IVFWNNZGXXKKHH-LBPRGKRZSA-N 1 0 307.350 1.436 20 5 DDBDRO C[NH2+]CCCN(C)S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000420466738 420303522 /nfs/dbraw/zinc/30/35/22/420303522.db2.gz BFRCUJZAPMNZQX-UHFFFAOYSA-N 1 0 315.395 1.442 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000416498111 420395305 /nfs/dbraw/zinc/39/53/05/420395305.db2.gz WLEZEPWPBOQXRX-LLVKDONJSA-N 1 0 313.379 1.133 20 5 DDBDRO Cc1cc(S(=O)(=O)N2C[C@H](C[NH3+])C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000447248989 230348707 /nfs/dbraw/zinc/34/87/07/230348707.db2.gz VQUVYLNSXFZLEQ-QWRGUYRKSA-N 1 0 313.379 1.261 20 5 DDBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000417736299 420463900 /nfs/dbraw/zinc/46/39/00/420463900.db2.gz WSSATFYXOOPJDY-FICVDOATSA-N 1 0 318.377 1.435 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(F)cc([N+](=O)[O-])c3N)C[C@@H]21 ZINC000453026065 420704496 /nfs/dbraw/zinc/70/44/96/420704496.db2.gz FJMMGNAWSFQIOB-PELKAZGASA-N 1 0 308.313 1.092 20 5 DDBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000442759111 420708709 /nfs/dbraw/zinc/70/87/09/420708709.db2.gz KGJMNTNXFKZLLW-GRYCIOLGSA-N 1 0 306.366 1.591 20 5 DDBDRO COc1ccc(NC(=O)CN2C[C@H](C[NH3+])C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000442794721 420716992 /nfs/dbraw/zinc/71/69/92/420716992.db2.gz UDNVQEPUVTXOJG-QWRGUYRKSA-N 1 0 322.365 1.211 20 5 DDBDRO Cc1n[nH]c(CC[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)n1 ZINC000447604757 420785483 /nfs/dbraw/zinc/78/54/83/420785483.db2.gz CTRCRBOHDFFANU-RYUDHWBXSA-N 1 0 319.369 1.534 20 5 DDBDRO CC[N@@H+]1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])c(NC)n2)C1 ZINC000455183207 420978956 /nfs/dbraw/zinc/97/89/56/420978956.db2.gz PAMTXLWHZCCQHK-LLVKDONJSA-N 1 0 321.381 1.493 20 5 DDBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000479532345 420980217 /nfs/dbraw/zinc/98/02/17/420980217.db2.gz NHBPIMQDGNFRNL-LLVKDONJSA-N 1 0 308.382 1.736 20 5 DDBDRO CC(C)[C@H]1CN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000487048854 420999702 /nfs/dbraw/zinc/99/97/02/420999702.db2.gz QYMHPALAQVKSDE-CQSZACIVSA-N 1 0 306.366 1.470 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000456167615 421111712 /nfs/dbraw/zinc/11/17/12/421111712.db2.gz NHDIOSKPWYIHHD-WCQYABFASA-N 1 0 319.361 1.770 20 5 DDBDRO O=C(NC[C@@H]1C[NH2+]CCCO1)c1ccc([N+](=O)[O-])cc1Cl ZINC000449704211 421064304 /nfs/dbraw/zinc/06/43/04/421064304.db2.gz HXJOFIVGKKLBDU-JTQLQIEISA-N 1 0 313.741 1.357 20 5 DDBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000449729358 421069841 /nfs/dbraw/zinc/06/98/41/421069841.db2.gz ASPXCCMNWAKWDC-GXTWGEPZSA-N 1 0 319.361 1.574 20 5 DDBDRO Cc1noc(C)c1[C@@H](C)C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000515832321 421518813 /nfs/dbraw/zinc/51/88/13/421518813.db2.gz RQMFCZUHHQAGFX-TVQRCGJNSA-N 1 0 323.353 1.150 20 5 DDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[N@H+](C)C(C)(C)C1 ZINC000550657230 421521700 /nfs/dbraw/zinc/52/17/00/421521700.db2.gz NUPLIUBDDAHHOH-GFCCVEGCSA-N 1 0 320.393 1.948 20 5 DDBDRO CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000548955670 421488068 /nfs/dbraw/zinc/48/80/68/421488068.db2.gz NJUBMPWSVPJFRR-DGCLKSJQSA-N 1 0 323.397 1.948 20 5 DDBDRO CC(C)Oc1nc(N2CC[C@@H]3C[NH2+]C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000516191009 421533072 /nfs/dbraw/zinc/53/30/72/421533072.db2.gz AGUAOWITURZWBO-VXGBXAGGSA-N 1 0 306.366 1.823 20 5 DDBDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cc([N+](=O)[O-])cn1C ZINC000516382878 421542458 /nfs/dbraw/zinc/54/24/58/421542458.db2.gz MXEAFSRGTQFWER-LBPRGKRZSA-N 1 0 308.382 1.928 20 5 DDBDRO O=[N+]([O-])c1cccnc1N1CC[NH+](C[C@H]2CCCC[C@@H]2O)CC1 ZINC000517376149 421612019 /nfs/dbraw/zinc/61/20/19/421612019.db2.gz JAOKSGDUEQFAAW-HIFRSBDPSA-N 1 0 320.393 1.663 20 5 DDBDRO Cn1ccc(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000517922812 421633329 /nfs/dbraw/zinc/63/33/29/421633329.db2.gz TWRANUFVLBILPK-CQSZACIVSA-N 1 0 305.334 1.463 20 5 DDBDRO CC[N@H+](C)C[C@H](O)Cn1ccnc1-c1ccc([N+](=O)[O-])cc1 ZINC000570292981 421636039 /nfs/dbraw/zinc/63/60/39/421636039.db2.gz GZPGWFYIPMQSNN-AWEZNQCLSA-N 1 0 304.350 1.771 20 5 DDBDRO C[N@@H+]1CCC[C@H]1CNC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000518313423 421646996 /nfs/dbraw/zinc/64/69/96/421646996.db2.gz AVAQGOUMYAXZHL-ZDUSSCGKSA-N 1 0 322.365 1.367 20 5 DDBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000570929614 421677208 /nfs/dbraw/zinc/67/72/08/421677208.db2.gz KYWQZEKTCUNJMI-NXEZZACHSA-N 1 0 318.337 1.031 20 5 DDBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000520366852 421747276 /nfs/dbraw/zinc/74/72/76/421747276.db2.gz IUZCQOXOYSTCJD-RYUDHWBXSA-N 1 0 308.382 1.784 20 5 DDBDRO COC[C@@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])C(C)C ZINC000544415762 421844830 /nfs/dbraw/zinc/84/48/30/421844830.db2.gz QIXJYNKRCWAAFV-QWHCGFSZSA-N 1 0 312.366 1.595 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CC2CCC(F)(F)CC2)c1 ZINC000573795415 422015541 /nfs/dbraw/zinc/01/55/41/422015541.db2.gz HTXSYTQBQIOUFO-GFCCVEGCSA-N 1 0 318.324 1.567 20 5 DDBDRO O=C([C@@H]1CCn2ccnc2C1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000582403653 422144791 /nfs/dbraw/zinc/14/47/91/422144791.db2.gz HOHKFYHZVPFXQA-LLVKDONJSA-N 1 0 312.329 1.943 20 5 DDBDRO Nc1ccc(NCC2([NH+]3CCCC3)CCOCC2)nc1[N+](=O)[O-] ZINC000596114606 422364988 /nfs/dbraw/zinc/36/49/88/422364988.db2.gz LCPFVCKFABVESC-UHFFFAOYSA-N 1 0 321.381 1.629 20 5 DDBDRO COc1ccc(CC(=O)N2CC[C@@]3(CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000575800813 422326738 /nfs/dbraw/zinc/32/67/38/422326738.db2.gz WSHXEEWVDGFGRP-MRXNPFEDSA-N 1 0 319.361 1.358 20 5 DDBDRO Cc1ccc(NC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000577633705 422397529 /nfs/dbraw/zinc/39/75/29/422397529.db2.gz USUBCRKSHUMNNC-UWVGGRQHSA-N 1 0 308.338 1.084 20 5 DDBDRO C[C@@H](Nc1ccc2ncc([N+](=O)[O-])n2n1)C1CC[NH+](C)CC1 ZINC000599042840 422401272 /nfs/dbraw/zinc/40/12/72/422401272.db2.gz GGBCHLGQQUNJPN-SNVBAGLBSA-N 1 0 304.354 1.780 20 5 DDBDRO O=[N+]([O-])c1cnc2ccc(N3CCC[C@H]([C@H]4CC[NH2+]C4)C3)nn21 ZINC000579093992 422703997 /nfs/dbraw/zinc/70/39/97/422703997.db2.gz KPAXPBMBRHNFLW-RYUDHWBXSA-N 1 0 316.365 1.463 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@@H]1CCC[C@H](O)C1 ZINC000578892426 422670615 /nfs/dbraw/zinc/67/06/15/422670615.db2.gz VDAXYXWGFPQSKM-HZSPNIEDSA-N 1 0 324.377 1.475 20 5 DDBDRO C[NH+](C)[C@@H]1CCCN(C(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000277150766 263634404 /nfs/dbraw/zinc/63/44/04/263634404.db2.gz IOPCGOPYDDIFGG-CYBMUJFWSA-N 1 0 321.377 1.916 20 5 DDBDRO NC(=O)c1cccc(N2CC[N@@H+]3CCCC[C@H]3C2)c1[N+](=O)[O-] ZINC000341739955 271194548 /nfs/dbraw/zinc/19/45/48/271194548.db2.gz BWQPDMXJZYATOW-NSHDSACASA-N 1 0 304.350 1.368 20 5 DDBDRO C[C@H]1C[NH2+]CCN1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000341750577 271198811 /nfs/dbraw/zinc/19/88/11/271198811.db2.gz SFKLWBPOOIKAHN-NSHDSACASA-N 1 0 320.349 1.187 20 5 DDBDRO C[C@@H]1[C@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])CCC[N@@H+]1C ZINC000343451718 271776853 /nfs/dbraw/zinc/77/68/53/271776853.db2.gz OLEBVOQRUXOEFW-CHWSQXEVSA-N 1 0 321.377 1.963 20 5 DDBDRO Cc1c(CC(=O)NCCOCC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000345941560 272371014 /nfs/dbraw/zinc/37/10/14/272371014.db2.gz VQOXNNMMLYQVDA-UHFFFAOYSA-N 1 0 309.366 1.140 20 5 DDBDRO C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)c2c([N+](=O)[O-])cnn2C)C[C@@H](C)C1 ZINC000346244108 272440982 /nfs/dbraw/zinc/44/09/82/272440982.db2.gz UNJPEFOYRLLDEA-SDDRHHMPSA-N 1 0 321.381 1.131 20 5 DDBDRO COC(=O)c1cc(N2CC[C@H]3C[NH2+]C[C@H]3C2)cc(C)c1[N+](=O)[O-] ZINC000420253968 274000369 /nfs/dbraw/zinc/00/03/69/274000369.db2.gz FNPQQVLJZMPFSC-RYUDHWBXSA-N 1 0 319.361 1.736 20 5 DDBDRO C[C@@H](O)C[NH+]1CCN(c2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413246164 274272761 /nfs/dbraw/zinc/27/27/61/274272761.db2.gz KNHJIGZKPJQVFL-GFCCVEGCSA-N 1 0 316.361 1.646 20 5 DDBDRO O=[N+]([O-])c1cnc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)nc1 ZINC000274025806 275041223 /nfs/dbraw/zinc/04/12/23/275041223.db2.gz WMZDQTWLXRGZIE-BXUZGUMPSA-N 1 0 303.366 1.838 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)NCC[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000269353889 275722581 /nfs/dbraw/zinc/72/25/81/275722581.db2.gz HEOCDPMBEIOHQH-UHFFFAOYSA-N 1 0 309.370 1.657 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)c1[N+](=O)[O-] ZINC000269549189 276040373 /nfs/dbraw/zinc/04/03/73/276040373.db2.gz XJARPNMCFVNIPB-MNOVXSKESA-N 1 0 323.397 1.854 20 5 DDBDRO C[N@@H+]1CCO[C@@H]2CCN(c3ncc(Cl)cc3[N+](=O)[O-])C[C@H]21 ZINC000285012787 277121759 /nfs/dbraw/zinc/12/17/59/277121759.db2.gz MKUFLZVNNGCLAT-VXGBXAGGSA-N 1 0 312.757 1.553 20 5 DDBDRO C[NH2+][C@H](C)CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000261633487 277298552 /nfs/dbraw/zinc/29/85/52/277298552.db2.gz CQFVWLVFSBMSFI-SSDOTTSWSA-N 1 0 305.256 1.951 20 5 DDBDRO C[C@@H]([NH3+])[C@H](C)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000182848581 277600409 /nfs/dbraw/zinc/60/04/09/277600409.db2.gz LZNVVVXRNRISMK-NWDGAFQWSA-N 1 0 306.366 1.227 20 5 DDBDRO COc1nccnc1CN(CC[NH3+])c1ccccc1[N+](=O)[O-] ZINC000295991704 278097171 /nfs/dbraw/zinc/09/71/71/278097171.db2.gz KFLWBXJTQIXYIY-UHFFFAOYSA-N 1 0 303.322 1.359 20 5 DDBDRO CC(C)(C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000289579501 278267692 /nfs/dbraw/zinc/26/76/92/278267692.db2.gz DSQPYRBOKPZWER-STQMWFEESA-N 1 0 317.389 1.940 20 5 DDBDRO CCN(CCC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])c(NC)n1 ZINC000456026900 279179336 /nfs/dbraw/zinc/17/93/36/279179336.db2.gz NPFAAOWXYFRGMN-UHFFFAOYSA-N 1 0 309.370 1.445 20 5 DDBDRO C[C@H](CN1CCOCC1)[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000279763104 279316835 /nfs/dbraw/zinc/31/68/35/279316835.db2.gz RSTWUHWVSBAOHP-CQSZACIVSA-N 1 0 307.394 1.790 20 5 DDBDRO CC[N@@H+]1CC[C@@H](CNC(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000107891504 279395263 /nfs/dbraw/zinc/39/52/63/279395263.db2.gz ZXMACUPJXSDIOK-ZDUSSCGKSA-N 1 0 320.393 1.855 20 5 DDBDRO C[C@H]([NH3+])[C@H](C)NC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000418698108 279411746 /nfs/dbraw/zinc/41/17/46/279411746.db2.gz MQMISBAISOFTPU-RYUDHWBXSA-N 1 0 321.381 1.162 20 5 DDBDRO CC(C)[C@H]([NH3+])CCN(C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000336853010 280282664 /nfs/dbraw/zinc/28/26/64/280282664.db2.gz CAIGLUBRLXKENE-CYBMUJFWSA-N 1 0 308.382 1.499 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCCNS(C)(=O)=O ZINC000121207762 281134346 /nfs/dbraw/zinc/13/43/46/281134346.db2.gz DHRXWIBILHPQCU-LLVKDONJSA-N 1 0 315.395 1.493 20 5 DDBDRO C[NH2+][C@@H]1CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000122771254 281161111 /nfs/dbraw/zinc/16/11/11/281161111.db2.gz CODBYMKNUGYTTI-MRVPVSSYSA-N 1 0 319.770 1.231 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H](CC(C)C)[NH+](C)C ZINC000128075298 281297454 /nfs/dbraw/zinc/29/74/54/281297454.db2.gz ZBBQDZHTEHMZCP-GFCCVEGCSA-N 1 0 311.386 1.192 20 5 DDBDRO C[NH+](C)CC1CCC(NC(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000130005442 281364906 /nfs/dbraw/zinc/36/49/06/281364906.db2.gz LOIQOGUNBVYZHX-UHFFFAOYSA-N 1 0 309.370 1.028 20 5 DDBDRO C[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CCOC1 ZINC000162805733 298203072 /nfs/dbraw/zinc/20/30/72/298203072.db2.gz NYZFSLQGPUCOSN-NWDGAFQWSA-N 1 0 307.350 1.938 20 5 DDBDRO C[NH+](C)CCN(Cc1ccco1)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000353934939 298319270 /nfs/dbraw/zinc/31/92/70/298319270.db2.gz RYAILHOHBAMZFY-UHFFFAOYSA-N 1 0 307.310 1.115 20 5 DDBDRO O=[N+]([O-])c1c[nH]c(-c2nc(CC3=[NH+][C@@H]4CCCC[C@@H]4N3)no2)c1 ZINC000357932437 299024178 /nfs/dbraw/zinc/02/41/78/299024178.db2.gz IIAGGMPYICEATD-AOOOYVTPSA-N 1 0 316.321 1.828 20 5 DDBDRO COCC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CC[C@@H](C)C1 ZINC000362153848 300017814 /nfs/dbraw/zinc/01/78/14/300017814.db2.gz GIWMKFKJKPWSKO-ZIAGYGMSSA-N 1 0 323.393 1.894 20 5 DDBDRO COc1cc(C[N@@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)c([N+](=O)[O-])cc1F ZINC000362193323 300025967 /nfs/dbraw/zinc/02/59/67/300025967.db2.gz YOVXSKKYDKNBIL-PXWWUCIGSA-N 1 0 310.325 1.945 20 5 DDBDRO COCCO[C@@H]1COCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000362530025 300087541 /nfs/dbraw/zinc/08/75/41/300087541.db2.gz UZXZRUVGODPHLU-HUUCEWRRSA-N 1 0 310.350 1.505 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000362905826 300175298 /nfs/dbraw/zinc/17/52/98/300175298.db2.gz JRZIVCSYBGNOEG-CQSZACIVSA-N 1 0 319.361 1.670 20 5 DDBDRO COc1ccc([C@@H](C[NH3+])Cn2cccc([N+](=O)[O-])c2=O)cc1 ZINC000575057428 304709958 /nfs/dbraw/zinc/70/99/58/304709958.db2.gz WKEUQQITJBQEMP-LBPRGKRZSA-N 1 0 303.318 1.508 20 5 DDBDRO CC[C@H](C(=O)N1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1)[NH+](C)C ZINC000368411467 301021668 /nfs/dbraw/zinc/02/16/68/301021668.db2.gz IAEKNOBUSRWOBN-DGCLKSJQSA-N 1 0 309.370 1.295 20 5 DDBDRO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000368964175 301111333 /nfs/dbraw/zinc/11/13/33/301111333.db2.gz NDCQJJJAVVZLIA-JMSVASOKSA-N 1 0 319.361 1.559 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1CN1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000370044618 301264463 /nfs/dbraw/zinc/26/44/63/301264463.db2.gz FQRNQKQOVVRJCI-JHJVBQTASA-N 1 0 305.382 1.244 20 5 DDBDRO O=C(CC[N@H+]1CC[C@@](O)(C2CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000370081695 301272480 /nfs/dbraw/zinc/27/24/80/301272480.db2.gz KAANNVZMXXCATI-INIZCTEOSA-N 1 0 319.361 1.770 20 5 DDBDRO Cc1c(CC(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)cccc1[N+](=O)[O-] ZINC000370158905 301285960 /nfs/dbraw/zinc/28/59/60/301285960.db2.gz HIOFOTMKIUVBLL-GXTWGEPZSA-N 1 0 303.362 1.656 20 5 DDBDRO Cc1noc(C2(C)CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)n1 ZINC000378582970 302339331 /nfs/dbraw/zinc/33/93/31/302339331.db2.gz YHJUINQCOBDFGU-UHFFFAOYSA-N 1 0 320.353 1.536 20 5 DDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H](C)C[NH3+] ZINC000447242159 302395612 /nfs/dbraw/zinc/39/56/12/302395612.db2.gz AOLLKYCUKDNUSI-SECBINFHSA-N 1 0 301.368 1.030 20 5 DDBDRO [NH3+][C@H]1CCCC[C@H]1CC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000517560478 302814703 /nfs/dbraw/zinc/81/47/03/302814703.db2.gz IIDQUFDCSXIQFP-WFASDCNBSA-N 1 0 321.377 1.997 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C[C@H]1CCCOC1 ZINC000519564602 302841487 /nfs/dbraw/zinc/84/14/87/302841487.db2.gz ZQPCMMFFIXAYOB-OLZOCXBDSA-N 1 0 310.350 1.351 20 5 DDBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])cn1C)[NH+]1CCC(C)CC1 ZINC000520868749 302868205 /nfs/dbraw/zinc/86/82/05/302868205.db2.gz UZVBJEQVAJKOKG-GFCCVEGCSA-N 1 0 308.382 1.784 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000521582314 302876897 /nfs/dbraw/zinc/87/68/97/302876897.db2.gz KJNRHVGNZGYYKU-NSHDSACASA-N 1 0 308.338 1.819 20 5 DDBDRO Cn1ccnc1[C@H](NC[C@@H]([NH3+])C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000423317832 303003729 /nfs/dbraw/zinc/00/37/29/303003729.db2.gz KRJPNVPFUBXPNS-HUUCEWRRSA-N 1 0 315.377 1.745 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000530819580 303214061 /nfs/dbraw/zinc/21/40/61/303214061.db2.gz WOBPIFUDQADKAG-CYBMUJFWSA-N 1 0 320.393 1.737 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000531726633 303253315 /nfs/dbraw/zinc/25/33/15/303253315.db2.gz QXIZQSMBMSFAAQ-YPMHNXCESA-N 1 0 306.366 1.490 20 5 DDBDRO O=[N+]([O-])c1ccc(F)cc1N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000364191281 307043264 /nfs/dbraw/zinc/04/32/64/307043264.db2.gz RTNHXBBSBOPFGP-DZGCQCFKSA-N 1 0 309.341 1.769 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2[C@@H]3CC[C@H]2C[C@H]([NH3+])C3)c1 ZINC000364594398 307048875 /nfs/dbraw/zinc/04/88/75/307048875.db2.gz VSBKQJHCLIDVMD-RTCCRHLQSA-N 1 0 305.334 1.698 20 5 DDBDRO Cc1cc(N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)ccc1[N+](=O)[O-] ZINC000368532644 307104407 /nfs/dbraw/zinc/10/44/07/307104407.db2.gz JTZYGJSRWYPFPJ-HOTGVXAUSA-N 1 0 305.378 1.939 20 5 DDBDRO O=C1OCC[C@@H]1CC[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369004145 307114249 /nfs/dbraw/zinc/11/42/49/307114249.db2.gz YNPZAOVNUMJLEU-RYUDHWBXSA-N 1 0 308.338 1.381 20 5 DDBDRO CCCNC(=O)[C@@H](C)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000369693725 307126955 /nfs/dbraw/zinc/12/69/55/307126955.db2.gz UUENCGOSLNHRBE-LLVKDONJSA-N 1 0 309.370 1.343 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1CC([C@H]2CCOC2)C1 ZINC000373633731 307193265 /nfs/dbraw/zinc/19/32/65/307193265.db2.gz BWLFPKJQOWIUND-GXTWGEPZSA-N 1 0 322.361 1.303 20 5 DDBDRO COC(=O)[C@]12CCC[C@@H]1C[N@H+](CCn1cc([N+](=O)[O-])cn1)C2 ZINC000374695378 307211785 /nfs/dbraw/zinc/21/17/85/307211785.db2.gz FNIMJXROSTXSGG-RISCZKNCSA-N 1 0 308.338 1.066 20 5 DDBDRO COC1(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)CCOCC1 ZINC000376650239 307251677 /nfs/dbraw/zinc/25/16/77/307251677.db2.gz DZAARMVKNDYKHC-UHFFFAOYSA-N 1 0 324.381 1.624 20 5 DDBDRO Cc1cc(C(=O)N2CC[C@@H]3CC[N@@H+](C)[C@@H]3C2)c([N+](=O)[O-])c(=O)[nH]1 ZINC000376663592 307252378 /nfs/dbraw/zinc/25/23/78/307252378.db2.gz LJGVZJBHDXMSEJ-CMPLNLGQSA-N 1 0 320.349 1.170 20 5 DDBDRO C[C@H](NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000378488375 307289279 /nfs/dbraw/zinc/28/92/79/307289279.db2.gz AUPCEZWOSJWTOI-LCGIIJARSA-N 1 0 317.389 1.678 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000378490001 307289532 /nfs/dbraw/zinc/28/95/32/307289532.db2.gz CEJKPQKVTXHWNH-SMDDNHRTSA-N 1 0 304.350 1.464 20 5 DDBDRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC000548739582 307790771 /nfs/dbraw/zinc/79/07/71/307790771.db2.gz JJZNFXTYRBAOAV-GHMZBOCLSA-N 1 0 323.397 1.804 20 5 DDBDRO Cn1cc(CC[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cn1 ZINC000566634837 308059318 /nfs/dbraw/zinc/05/93/18/308059318.db2.gz RCRGJROIZKJAJZ-UHFFFAOYSA-N 1 0 316.365 1.088 20 5 DDBDRO Cc1cc(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)on1 ZINC000567681480 308089377 /nfs/dbraw/zinc/08/93/77/308089377.db2.gz SUSYMBMTXONFDB-LBPRGKRZSA-N 1 0 307.306 1.421 20 5 DDBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000569225945 308137258 /nfs/dbraw/zinc/13/72/58/308137258.db2.gz QGUNLAZOPUWEIU-NXEZZACHSA-N 1 0 302.334 1.999 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CC1=CCCOC1 ZINC000570836159 308181929 /nfs/dbraw/zinc/18/19/29/308181929.db2.gz BWIJSXYFWSNWHN-ZDUSSCGKSA-N 1 0 308.334 1.271 20 5 DDBDRO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C[C@@H](C)[NH2+]1 ZINC000573594813 308246118 /nfs/dbraw/zinc/24/61/18/308246118.db2.gz GMLKCYJOQGMSCP-NXEZZACHSA-N 1 0 321.333 1.188 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@H]2CCc3ccccc32)c1 ZINC000576220011 308297819 /nfs/dbraw/zinc/29/78/19/308297819.db2.gz AFQGDVLSECLHPE-HIFRSBDPSA-N 1 0 316.361 1.472 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)n1 ZINC000576686347 308331893 /nfs/dbraw/zinc/33/18/93/308331893.db2.gz KZOPGTSBJZXLKC-KOLCDFICSA-N 1 0 307.354 1.024 20 5 DDBDRO O=[N+]([O-])c1cc2c(nc1N1CCC[N@@H+](CCO)CC1)CCCC2 ZINC000576866468 308345255 /nfs/dbraw/zinc/34/52/55/308345255.db2.gz AHVMFWSVDYZIBV-UHFFFAOYSA-N 1 0 320.393 1.373 20 5 DDBDRO [NH3+]CC1(CC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)CC1 ZINC000576936980 308350706 /nfs/dbraw/zinc/35/07/06/308350706.db2.gz RTTRJJMDYVPHNR-UHFFFAOYSA-N 1 0 307.354 1.084 20 5 DDBDRO C[NH+](C)[C@H]1CN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000577387677 308384889 /nfs/dbraw/zinc/38/48/89/308384889.db2.gz PUCJITVWAKVBTD-KBPBESRZSA-N 1 0 321.377 1.006 20 5 DDBDRO CO[C@@H]([C@@H](C)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000578436456 308461186 /nfs/dbraw/zinc/46/11/86/308461186.db2.gz UUPBBWBWGOHERE-FFSVYQOJSA-N 1 0 324.377 1.738 20 5 DDBDRO CNc1ccc(C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000580071308 308577960 /nfs/dbraw/zinc/57/79/60/308577960.db2.gz OEGKASSUZSFXSL-INIZCTEOSA-N 1 0 318.377 1.852 20 5 DDBDRO O=C(Cn1cc([N+](=O)[O-])cn1)N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000365211391 325733176 /nfs/dbraw/zinc/73/31/76/325733176.db2.gz OQSQMYXGHBLGRZ-ZDUSSCGKSA-N 1 0 321.381 1.268 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000382470665 325746101 /nfs/dbraw/zinc/74/61/01/325746101.db2.gz PMMPPEFJOVEIPV-WDEREUQCSA-N 1 0 313.379 1.309 20 5 DDBDRO Cc1cc(N2CCC[C@@H]([NH+]3CCOCC3)CC2)ncc1[N+](=O)[O-] ZINC000582975196 337225224 /nfs/dbraw/zinc/22/52/24/337225224.db2.gz IYOOKOMRLBFRHV-CQSZACIVSA-N 1 0 320.393 1.989 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@H]2CCC(F)(F)C2)c1 ZINC000584465689 337346881 /nfs/dbraw/zinc/34/68/81/337346881.db2.gz WVLQGTZEZLBKKD-GXSJLCMTSA-N 1 0 304.297 1.177 20 5 DDBDRO Cc1cc(C(=O)N[C@H](CC[NH3+])C(F)(F)F)ccc1[N+](=O)[O-] ZINC000307804787 484376582 /nfs/dbraw/zinc/37/65/82/484376582.db2.gz CQJJWKMOUXDMMC-SNVBAGLBSA-N 1 0 305.256 1.913 20 5 DDBDRO COC(=O)c1cc(C(=O)N[C@@H]2CCC[C@@H]2C[NH3+])cc([N+](=O)[O-])c1 ZINC000422865483 533740613 /nfs/dbraw/zinc/74/06/13/533740613.db2.gz OXUGVSVDKWCTAL-NOZJJQNGSA-N 1 0 321.333 1.239 20 5 DDBDRO Cc1cc(S(=O)(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)ccc1[N+](=O)[O-] ZINC000447248252 534036037 /nfs/dbraw/zinc/03/60/37/534036037.db2.gz TXWWCQDQOHIANU-WDEREUQCSA-N 1 0 313.379 1.261 20 5 DDBDRO C[C@H]1COCC[C@H]1[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000433165325 534048358 /nfs/dbraw/zinc/04/83/58/534048358.db2.gz BREPVVQYNSNVDI-SMDDNHRTSA-N 1 0 307.350 1.938 20 5 DDBDRO C[C@@H]1C[N@@H+](CCCCNc2c([N+](=O)[O-])ncn2C)C[C@H](C)O1 ZINC000443951542 534463182 /nfs/dbraw/zinc/46/31/82/534463182.db2.gz KETYGTSUHUEGKC-TXEJJXNPSA-N 1 0 311.386 1.630 20 5 DDBDRO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000331789709 534659000 /nfs/dbraw/zinc/65/90/00/534659000.db2.gz GRLFBJWFXSWWTA-NWDGAFQWSA-N 1 0 311.725 1.061 20 5 DDBDRO CCO[C@@H]1C[C@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C12CCC2 ZINC000451471833 527939978 /nfs/dbraw/zinc/93/99/78/527939978.db2.gz IWZWLCAQDFVSQL-HZSPNIEDSA-N 1 0 324.381 1.090 20 5 DDBDRO CCO[C@@H]1C[C@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C12CCC2 ZINC000451471834 527941358 /nfs/dbraw/zinc/94/13/58/527941358.db2.gz IWZWLCAQDFVSQL-MELADBBJSA-N 1 0 324.381 1.090 20 5 DDBDRO CC(C)C[NH+]1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000298265312 527992770 /nfs/dbraw/zinc/99/27/70/527992770.db2.gz AQNIHWZBNWLSMG-UHFFFAOYSA-N 1 0 321.377 1.774 20 5 DDBDRO CC1(NC(=O)NCCc2ccc([N+](=O)[O-])cc2)CC[NH2+]CC1 ZINC000417225608 528022663 /nfs/dbraw/zinc/02/26/63/528022663.db2.gz JRBRMRJFHKCNCO-UHFFFAOYSA-N 1 0 306.366 1.579 20 5 DDBDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000299530450 528116008 /nfs/dbraw/zinc/11/60/08/528116008.db2.gz LLRVDCTWNYMDRA-SNVBAGLBSA-N 1 0 311.386 1.867 20 5 DDBDRO CCOc1cc(C(=O)N2CC[C@H]([NH3+])[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000423633721 528218311 /nfs/dbraw/zinc/21/83/11/528218311.db2.gz BLKBSNIQAZUCLZ-ONGXEEELSA-N 1 0 323.349 1.564 20 5 DDBDRO CC(C)[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)C1(CO)CCCC1 ZINC000459530271 528586683 /nfs/dbraw/zinc/58/66/83/528586683.db2.gz LMSSOOIURHPVKZ-CQSZACIVSA-N 1 0 310.398 1.958 20 5 DDBDRO CN(c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])[C@H]1CCC[N@H+](C)C1 ZINC000736859243 599120072 /nfs/dbraw/zinc/12/00/72/599120072.db2.gz XVELZNCXMDJXKQ-NSHDSACASA-N 1 0 317.353 1.305 20 5 DDBDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000824860824 608196996 /nfs/dbraw/zinc/19/69/96/608196996.db2.gz YAPUCZCGSRQXSM-NXEZZACHSA-N 1 0 317.353 1.304 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000799032195 700111227 /nfs/dbraw/zinc/11/12/27/700111227.db2.gz SMNTWYAZOPSBLJ-UHFFFAOYSA-N 1 0 320.393 1.881 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000155721930 696952560 /nfs/dbraw/zinc/95/25/60/696952560.db2.gz ANFFJIIJRUPJKH-AWEZNQCLSA-N 1 0 306.366 1.936 20 5 DDBDRO C[N@H+](Cc1ccccc1)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000985430771 697510192 /nfs/dbraw/zinc/51/01/92/697510192.db2.gz JMLIINFTJNQVEF-HZPDHXFCSA-N 1 0 317.389 1.775 20 5 DDBDRO Cc1c(C(=O)NCC[NH+]2CCCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000193666489 697676389 /nfs/dbraw/zinc/67/63/89/697676389.db2.gz ASWKAQXWPNWOGG-UHFFFAOYSA-N 1 0 322.321 1.637 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@@H](O)c2ccccc2)c1 ZINC000749644401 700175013 /nfs/dbraw/zinc/17/50/13/700175013.db2.gz FFWKWUOOPIWNJF-HZPDHXFCSA-N 1 0 302.330 1.951 20 5 DDBDRO Cc1nn(CN2CCOCC[C@H]2C)c2ncc([N+](=O)[O-])cc12 ZINC000774650752 697907342 /nfs/dbraw/zinc/90/73/42/697907342.db2.gz RQFIMQUUVBCDFL-SNVBAGLBSA-N 1 0 305.338 1.716 20 5 DDBDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000775032287 697956480 /nfs/dbraw/zinc/95/64/80/697956480.db2.gz GJDKUCVKOVGYKY-VXGBXAGGSA-N 1 0 322.321 1.507 20 5 DDBDRO C[C@H]1CCCN(CC[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776278230 698091403 /nfs/dbraw/zinc/09/14/03/698091403.db2.gz SMJWRJHCEFZQDU-BBRMVZONSA-N 1 0 307.394 1.950 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000261600491 698428286 /nfs/dbraw/zinc/42/82/86/698428286.db2.gz XTKBLKWEEHFOCZ-NSHDSACASA-N 1 0 315.395 1.555 20 5 DDBDRO CC1(C)CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1CCO ZINC000781960992 698666211 /nfs/dbraw/zinc/66/62/11/698666211.db2.gz PKLFSXRWKGWKOU-OAHLLOKOSA-N 1 0 323.393 1.017 20 5 DDBDRO CCN(CCO)CC[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783676537 698867312 /nfs/dbraw/zinc/86/73/12/698867312.db2.gz MMNWYALGBGNURJ-UHFFFAOYSA-N 1 0 301.774 1.652 20 5 DDBDRO COC(=O)[C@@H]1CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000787326590 699206073 /nfs/dbraw/zinc/20/60/73/699206073.db2.gz IMCGWWXDCBCSOX-HONMWMINSA-N 1 0 308.334 1.512 20 5 DDBDRO C[C@H]([NH2+]CCN1CCOC[C@@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788590917 699326006 /nfs/dbraw/zinc/32/60/06/699326006.db2.gz WZLNIUQIRPNINZ-RYUDHWBXSA-N 1 0 308.382 1.548 20 5 DDBDRO Cc1nn(C)c(NC2CC[NH+](C[C@@H]3CCCO3)CC2)c1[N+](=O)[O-] ZINC000725787766 699333962 /nfs/dbraw/zinc/33/39/62/699333962.db2.gz MMBGPQPFXXMTIN-ZDUSSCGKSA-N 1 0 323.397 1.692 20 5 DDBDRO CC(C)[N@@H+]1CCO[C@H](COC(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000789773060 699407557 /nfs/dbraw/zinc/40/75/57/699407557.db2.gz OFDHXLDMPNYZQZ-HNNXBMFYSA-N 1 0 322.361 1.790 20 5 DDBDRO Cc1c(NNC(=S)NC2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000727982274 699434340 /nfs/dbraw/zinc/43/43/40/699434340.db2.gz YYQYNMCZAWUWBI-UHFFFAOYSA-N 1 0 323.422 1.788 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])c(F)cc3N)C[C@@H]2C1 ZINC000793928520 699787300 /nfs/dbraw/zinc/78/73/00/699787300.db2.gz IXUPORXTHOGQON-ZJUUUORDSA-N 1 0 322.340 1.340 20 5 DDBDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000794576600 699817420 /nfs/dbraw/zinc/81/74/20/699817420.db2.gz KOZYBHYTBVIACK-RDBSUJKOSA-N 1 0 307.350 1.133 20 5 DDBDRO COc1c(C(=O)NCC[N@@H+]2CCC[C@H]2C)cccc1[N+](=O)[O-] ZINC000795270998 699855055 /nfs/dbraw/zinc/85/50/55/699855055.db2.gz PNFDDHCXADJCES-LLVKDONJSA-N 1 0 307.350 1.818 20 5 DDBDRO Cc1nn(CN2C[C@@H]([NH+]3CCCC3)C[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000795704707 699885055 /nfs/dbraw/zinc/88/50/55/699885055.db2.gz RCXMNHWHKSPJQO-RISCZKNCSA-N 1 0 307.398 1.924 20 5 DDBDRO CCCc1[nH]nc(C(=O)OCC[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000796268613 699922613 /nfs/dbraw/zinc/92/26/13/699922613.db2.gz UQQBRBQKVPJMNI-UHFFFAOYSA-N 1 0 310.354 1.913 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CC[C@H](OC(F)F)C2)cc1 ZINC000801991312 700362532 /nfs/dbraw/zinc/36/25/32/700362532.db2.gz MKCVARHXJWWXSL-RYUDHWBXSA-N 1 0 302.277 1.942 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NCC[N@@H+]1CCC[C@@H]1C ZINC000756519255 700625184 /nfs/dbraw/zinc/62/51/84/700625184.db2.gz HVNLLUPRCPSXLW-NSHDSACASA-N 1 0 307.350 1.818 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@H](CCO)C2CCOCC2)cc1 ZINC000763903417 700952579 /nfs/dbraw/zinc/95/25/79/700952579.db2.gz RRAZIQLPWVAIGT-CVEARBPZSA-N 1 0 324.377 1.395 20 5 DDBDRO O=C1[C@H]([NH2+][C@H](CCO)C2CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000771802061 701331379 /nfs/dbraw/zinc/33/13/79/701331379.db2.gz MWTJAARTNYQMBS-HUUCEWRRSA-N 1 0 319.361 1.451 20 5 DDBDRO CC[C@H]1C[N@H+](C)CCN1Cn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000840093264 701965468 /nfs/dbraw/zinc/96/54/68/701965468.db2.gz IZTDFTPIHRKOCW-NSHDSACASA-N 1 0 320.349 1.486 20 5 DDBDRO C[C@](CO)([NH2+]CC[C@H]1COC(C)(C)O1)c1cccc([N+](=O)[O-])c1 ZINC000879271086 706636155 /nfs/dbraw/zinc/63/61/55/706636155.db2.gz CXXQIIJIAHJCCC-GOEBONIOSA-N 1 0 324.377 1.934 20 5 DDBDRO CN1CC[NH+](C2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000866214456 706651450 /nfs/dbraw/zinc/65/14/50/706651450.db2.gz OLSIZQPNEYNIDI-UHFFFAOYSA-N 1 0 304.394 1.811 20 5 DDBDRO C[C@H]([NH3+])CCNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000841164818 702372540 /nfs/dbraw/zinc/37/25/40/702372540.db2.gz VYEDFHRTAQNTCG-ZETCQYMHSA-N 1 0 314.729 1.040 20 5 DDBDRO O=C(NC[C@H]1C[NH2+]CCO1)Nc1cccc([N+](=O)[O-])c1Cl ZINC000841233401 702396975 /nfs/dbraw/zinc/39/69/75/702396975.db2.gz SPYNZVVNGBTTPR-MRVPVSSYSA-N 1 0 314.729 1.358 20 5 DDBDRO C[C@@H]([NH3+])[C@H](C)NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000841857893 702591017 /nfs/dbraw/zinc/59/10/17/702591017.db2.gz KMOVBVBIPYXRMO-SFYZADRCSA-N 1 0 300.746 1.783 20 5 DDBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC1(CC(N)=O)CC1 ZINC000866377891 706684940 /nfs/dbraw/zinc/68/49/40/706684940.db2.gz KRZLJFCYYVTTAG-SNVBAGLBSA-N 1 0 309.341 1.910 20 5 DDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@]3(CCC[NH2+]3)C2)s1 ZINC000842485979 702728296 /nfs/dbraw/zinc/72/82/96/702728296.db2.gz WSROSHPTQBMNAG-NSHDSACASA-N 1 0 317.392 1.173 20 5 DDBDRO CC(C)C[C@H](O)C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000843069116 702813100 /nfs/dbraw/zinc/81/31/00/702813100.db2.gz JSUQUMGSAUCHRB-KBPBESRZSA-N 1 0 312.366 1.331 20 5 DDBDRO CC(C)COC[C@@H](O)C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843070639 702813145 /nfs/dbraw/zinc/81/31/45/702813145.db2.gz WIUWZLVCLCRCHA-GJZGRUSLSA-N 1 0 312.366 1.251 20 5 DDBDRO Cc1ccc([C@@H](O)C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000843087312 702816087 /nfs/dbraw/zinc/81/60/87/702816087.db2.gz LPOPJZDHUXEJEF-KBPBESRZSA-N 1 0 306.318 1.853 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@H]2CCCN2CCCO)cc1 ZINC000843086806 702816163 /nfs/dbraw/zinc/81/61/63/702816163.db2.gz HUUDLVPJKIQTBT-HZPDHXFCSA-N 1 0 323.393 1.065 20 5 DDBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CC[NH2+]CC1 ZINC000843290062 702854815 /nfs/dbraw/zinc/85/48/15/702854815.db2.gz JLNRRQPQPRAMGV-UHFFFAOYSA-N 1 0 301.705 1.362 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)NC[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000843320821 702858949 /nfs/dbraw/zinc/85/89/49/702858949.db2.gz SKRYSIBKQGVSKY-SNVBAGLBSA-N 1 0 322.321 1.541 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CC[C@H]([NH3+])[C@H](C)C2)cc1[N+](=O)[O-] ZINC000843347037 702863758 /nfs/dbraw/zinc/86/37/58/702863758.db2.gz QZLCGXSFWYIWKF-KCJUWKMLSA-N 1 0 322.321 1.621 20 5 DDBDRO C[C@@](CN)([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C1CC1 ZINC000843355743 702865633 /nfs/dbraw/zinc/86/56/33/702865633.db2.gz ISWHJNGVZYWGFX-HNNXBMFYSA-N 1 0 324.356 1.780 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)cc1[N+](=O)[O-] ZINC000843486720 702891214 /nfs/dbraw/zinc/89/12/14/702891214.db2.gz VBGIYFZFXVNUAN-RNCFNFMXSA-N 1 0 320.305 1.245 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844459227 703034315 /nfs/dbraw/zinc/03/43/15/703034315.db2.gz QVQLWFUHUVBVCS-GARJFASQSA-N 1 0 314.288 1.531 20 5 DDBDRO C[C@@H]1[C@H](COC(=O)COc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000845814040 703205445 /nfs/dbraw/zinc/20/54/45/703205445.db2.gz JPQQQIAVWZFJDJ-NEPJUHHUSA-N 1 0 308.334 1.857 20 5 DDBDRO C[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N)[C@@H]1CC[NH3+] ZINC000846694092 703318613 /nfs/dbraw/zinc/31/86/13/703318613.db2.gz MNEAGSKQPABJJK-IINYFYTJSA-N 1 0 306.366 1.767 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)OC[C@H](C)[NH+]1CCCCC1 ZINC000847959760 703487341 /nfs/dbraw/zinc/48/73/41/703487341.db2.gz JONWGVYXOOMBKO-LBPRGKRZSA-N 1 0 324.381 1.907 20 5 DDBDRO O=C(NC[C@H]1CCC[NH2+]C1)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000848940341 703605394 /nfs/dbraw/zinc/60/53/94/703605394.db2.gz JRWDSCZTLGKMIR-QMMMGPOBSA-N 1 0 321.362 1.329 20 5 DDBDRO Nc1ccc(C(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000831734482 706766161 /nfs/dbraw/zinc/76/61/61/706766161.db2.gz HEIXRHOPNHBKNF-OLZOCXBDSA-N 1 0 318.377 1.639 20 5 DDBDRO CO[C@H]1CC[C@@H]([NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000851716917 703835770 /nfs/dbraw/zinc/83/57/70/703835770.db2.gz OGOPZLSYAFUAGV-OCCSQVGLSA-N 1 0 306.366 1.679 20 5 DDBDRO CCO[C@@H](CNC(=O)c1cc(F)ccc1[N+](=O)[O-])C[NH+](C)C ZINC000831758016 706773118 /nfs/dbraw/zinc/77/31/18/706773118.db2.gz UGDYRCQEQIPQJU-NSHDSACASA-N 1 0 313.329 1.430 20 5 DDBDRO CCC(CC)(C[NH3+])NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000818554497 703924388 /nfs/dbraw/zinc/92/43/88/703924388.db2.gz QGGUWOFVOCCPHF-UHFFFAOYSA-N 1 0 319.365 1.578 20 5 DDBDRO C[C@H](C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)Cn1cccn1 ZINC000818961349 704035077 /nfs/dbraw/zinc/03/50/77/704035077.db2.gz QCYOISGFGGPAQA-DOMZBBRYSA-N 1 0 304.350 1.751 20 5 DDBDRO O=C1CCCCN1CCC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819027982 704054520 /nfs/dbraw/zinc/05/45/20/704054520.db2.gz CPEGODWAHJWXNV-HNNXBMFYSA-N 1 0 321.377 1.620 20 5 DDBDRO C[C@H](CO[C@@H]1CCOC1)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819147455 704076124 /nfs/dbraw/zinc/07/61/24/704076124.db2.gz HVXJGPHHFIWZOQ-DFBGVHRSSA-N 1 0 310.350 1.412 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@@H]2COC3(CCCC3)O2)c1 ZINC000819204639 704086112 /nfs/dbraw/zinc/08/61/12/704086112.db2.gz FAMLYCOZJMSIIQ-CABCVRRESA-N 1 0 322.361 1.904 20 5 DDBDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000819285503 704100672 /nfs/dbraw/zinc/10/06/72/704100672.db2.gz GZHRWZOAOJXYOP-IPYPFGDCSA-N 1 0 322.361 1.950 20 5 DDBDRO C[NH+](C)C[C@@H]1CCN(C(=O)[C@](C)(N)c2cccc([N+](=O)[O-])c2)C1 ZINC000870928359 704172150 /nfs/dbraw/zinc/17/21/50/704172150.db2.gz FEHZBXCNWLIDLK-BLLLJJGKSA-N 1 0 320.393 1.179 20 5 DDBDRO Cc1ccc(CNC(=O)[C@H]2CC23CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000870962069 704183077 /nfs/dbraw/zinc/18/30/77/704183077.db2.gz LYWRJEUXLNFGMC-CYBMUJFWSA-N 1 0 303.362 1.909 20 5 DDBDRO COc1ccc(C[NH2+]C[C@H](O)c2ccccn2)cc1[N+](=O)[O-] ZINC000853062238 704190905 /nfs/dbraw/zinc/19/09/05/704190905.db2.gz ODQQCXFNPDOKNM-AWEZNQCLSA-N 1 0 303.318 1.822 20 5 DDBDRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000820272083 704250585 /nfs/dbraw/zinc/25/05/85/704250585.db2.gz JGIOFBOYOXQOLY-HNKHHVNMSA-N 1 0 315.373 1.861 20 5 DDBDRO COc1cc(Cc2noc([C@H]3C[C@H]([NH3+])C3)n2)ccc1[N+](=O)[O-] ZINC000854142479 704360948 /nfs/dbraw/zinc/36/09/48/704360948.db2.gz OKEIVUVVIGOMHH-MGCOHNPYSA-N 1 0 304.306 1.782 20 5 DDBDRO Cc1cc(F)cc(C(=O)NOC2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000854357261 704385296 /nfs/dbraw/zinc/38/52/96/704385296.db2.gz WRPGZYWOHAHDDV-UHFFFAOYSA-N 1 0 311.313 1.798 20 5 DDBDRO CCOc1ccc(C(=O)NOC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000854356727 704385358 /nfs/dbraw/zinc/38/53/58/704385358.db2.gz HXSJADNTIYKHBH-UHFFFAOYSA-N 1 0 323.349 1.749 20 5 DDBDRO C[C@@H](CCNC(=O)COc1ccc([N+](=O)[O-])c(F)c1)[NH+](C)C ZINC000855411061 704483632 /nfs/dbraw/zinc/48/36/32/704483632.db2.gz MHRNUGGBPKFURI-JTQLQIEISA-N 1 0 313.329 1.569 20 5 DDBDRO [NH3+]C/C=C/CNC(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857765704 704622248 /nfs/dbraw/zinc/62/22/48/704622248.db2.gz UMPXHJWONOSYPA-OWOJBTEDSA-N 1 0 301.249 1.198 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N(C)C[C@H](C)[NH3+] ZINC000858642750 704738827 /nfs/dbraw/zinc/73/88/27/704738827.db2.gz PJYURDXRHGHRHO-JTQLQIEISA-N 1 0 301.368 1.179 20 5 DDBDRO Cc1cc(Cc2noc(C[C@@H]3COCC[NH2+]3)n2)ccc1[N+](=O)[O-] ZINC000822863421 705063906 /nfs/dbraw/zinc/06/39/06/705063906.db2.gz RXQCWMWUZWZNBQ-GFCCVEGCSA-N 1 0 318.333 1.408 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1-c1noc([C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)n1 ZINC000823089793 705136201 /nfs/dbraw/zinc/13/62/01/705136201.db2.gz YEGQGTHUSLYRQZ-UTLUCORTSA-N 1 0 318.337 1.972 20 5 DDBDRO CCN(CC[NH3+])C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000861608895 705519183 /nfs/dbraw/zinc/51/91/83/705519183.db2.gz XLDSSYWZMAGHBH-UHFFFAOYSA-N 1 0 300.746 1.738 20 5 DDBDRO [NH3+]C[C@@H]1CC[C@H](NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000825196536 705622576 /nfs/dbraw/zinc/62/25/76/705622576.db2.gz IHGUYJBFSVCJCD-ZJUUUORDSA-N 1 0 311.313 1.356 20 5 DDBDRO Cc1nn(C[N@@H+](C)[C@H]2C[C@@H](C(N)=O)C2)c2cc([N+](=O)[O-])ccc12 ZINC000863322991 705901580 /nfs/dbraw/zinc/90/15/80/705901580.db2.gz XOQGAPUDXCKDFJ-KLPPZKSPSA-N 1 0 317.349 1.406 20 5 DDBDRO CO[C@H](C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)C(F)(F)F ZINC000877026254 705963391 /nfs/dbraw/zinc/96/33/91/705963391.db2.gz BCKMZWIYQBEQFE-SFVIPPHHSA-N 1 0 308.260 1.662 20 5 DDBDRO CS[C@H](CO)[C@@H](C)[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877048526 705971791 /nfs/dbraw/zinc/97/17/91/705971791.db2.gz LZOQOPZOOJMWLY-ANONENCNSA-N 1 0 300.384 1.197 20 5 DDBDRO C[C@H](CO[C@@H]1CCOC1)[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877093684 705980967 /nfs/dbraw/zinc/98/09/67/705980967.db2.gz UTCMZLDCKYDHAP-MLCFOIATSA-N 1 0 310.354 1.278 20 5 DDBDRO COc1ccc(CC(=O)N2C3CCC2(C[NH3+])CC3)cc1[N+](=O)[O-] ZINC000877190264 706011764 /nfs/dbraw/zinc/01/17/64/706011764.db2.gz YWHWUFQVNBZFNS-UHFFFAOYSA-N 1 0 319.361 1.628 20 5 DDBDRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877322734 706063466 /nfs/dbraw/zinc/06/34/66/706063466.db2.gz COPJZWXTCKFCKO-QYNFOATHSA-N 1 0 310.354 1.672 20 5 DDBDRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)CCOc1ccccc1[N+](=O)[O-])C2 ZINC000877377808 706086399 /nfs/dbraw/zinc/08/63/99/706086399.db2.gz ZJWXLZFKZLQAMQ-BLLLJJGKSA-N 1 0 319.361 1.432 20 5 DDBDRO CNc1ccc(C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)cc1[N+](=O)[O-] ZINC000877378286 706086706 /nfs/dbraw/zinc/08/67/06/706086706.db2.gz RVZRWCAGEQAFHB-XHDPSFHLSA-N 1 0 304.350 1.318 20 5 DDBDRO O=C(CNc1ccccc1[N+](=O)[O-])N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000877395653 706094657 /nfs/dbraw/zinc/09/46/57/706094657.db2.gz LRBSVMRGDGUVIA-HIFRSBDPSA-N 1 0 304.350 1.408 20 5 DDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@@H]3CCN(CC(F)F)C3)C2)c1 ZINC000877593863 706153338 /nfs/dbraw/zinc/15/33/38/706153338.db2.gz HSYVGVSRKFZXON-KPPDAEKUSA-N 1 0 315.324 1.424 20 5 DDBDRO COC(=O)[C@@H]1OCC[C@@H]1C[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000877727574 706191511 /nfs/dbraw/zinc/19/15/11/706191511.db2.gz ZULXIUQAMZJOCS-BXUZGUMPSA-N 1 0 324.333 1.271 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(c2cn[nH]c2)CC1 ZINC000878027531 706267967 /nfs/dbraw/zinc/26/79/67/706267967.db2.gz IBJAFOAGKOOBIY-UHFFFAOYSA-N 1 0 304.354 1.702 20 5 DDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000828987425 706269201 /nfs/dbraw/zinc/26/92/01/706269201.db2.gz CRJMZNDUCJHDBH-IINYFYTJSA-N 1 0 304.350 1.095 20 5 DDBDRO CCN(CCC[NH+](C)C)C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000830791137 706580623 /nfs/dbraw/zinc/58/06/23/706580623.db2.gz OUZSKJVRWRCVAI-CQSZACIVSA-N 1 0 309.366 1.428 20 5 DDBDRO CC(C)(O)[C@@H]1CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000880138962 706888349 /nfs/dbraw/zinc/88/83/49/706888349.db2.gz JGQOKTFDKRDWDK-OCCSQVGLSA-N 1 0 324.377 1.427 20 5 DDBDRO C[C@@H]1CN(CCn2cc([N+](=O)[O-])cn2)CCN1c1cc[nH+]cc1 ZINC000880260979 706924115 /nfs/dbraw/zinc/92/41/15/706924115.db2.gz RTYGEYRMSBZDMS-CYBMUJFWSA-N 1 0 316.365 1.397 20 5 DDBDRO C[C@@H]([NH2+]C[C@@H]1CCCN1CCCO)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834851560 707138728 /nfs/dbraw/zinc/13/87/28/707138728.db2.gz ZNSKQJCHWGVXDI-OCCSQVGLSA-N 1 0 322.409 1.674 20 5 DDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@H]2CC23CCC3)cc1 ZINC000872252059 707350104 /nfs/dbraw/zinc/35/01/04/707350104.db2.gz RBGXFYGHWQKYKF-ZDUSSCGKSA-N 1 0 310.375 1.901 20 5 DDBDRO C[N@@H+]1CCC[C@@H](N2CCN(c3ccnc(F)c3[N+](=O)[O-])CC2)C1 ZINC000881985494 707455033 /nfs/dbraw/zinc/45/50/33/707455033.db2.gz NRVAJDSPWWLDDP-GFCCVEGCSA-N 1 0 323.372 1.345 20 5 DDBDRO O=[N+]([O-])c1cc(Cl)cnc1N1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC000872757400 707586757 /nfs/dbraw/zinc/58/67/57/707586757.db2.gz BCNCIRJOIGEMCE-WDEREUQCSA-N 1 0 312.757 1.289 20 5 DDBDRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2c1ccc([N+](=O)[O-])c2nonc21 ZINC000872780113 707596706 /nfs/dbraw/zinc/59/67/06/707596706.db2.gz JPCLUSJEILYYIA-UWVGGRQHSA-N 1 0 303.322 1.804 20 5 DDBDRO CC[N@@H+]1CC[C@H]1CNC(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000882484462 707655317 /nfs/dbraw/zinc/65/53/17/707655317.db2.gz DCSSWWHBBJYKOF-NSHDSACASA-N 1 0 323.349 1.193 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H](O)c1cnn(C)c1 ZINC000873061304 707713849 /nfs/dbraw/zinc/71/38/49/707713849.db2.gz RJGVWCHKYBGZQT-HNNXBMFYSA-N 1 0 304.350 1.768 20 5 DDBDRO O=[N+]([O-])c1cnc(N2CCC[C@@H]([NH2+]C3CCOCC3)C2)nc1 ZINC000882725677 707762256 /nfs/dbraw/zinc/76/22/56/707762256.db2.gz YMCFCNVYWHYBIB-GFCCVEGCSA-N 1 0 307.354 1.122 20 5 DDBDRO C[NH2+]C[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000883474342 708011162 /nfs/dbraw/zinc/01/11/62/708011162.db2.gz LISTZPNTNAJVTR-SECBINFHSA-N 1 0 319.408 1.419 20 5 DDBDRO C[N@@H+]1C[C@@H]2CN(c3ncnc4ccc([N+](=O)[O-])cc43)C[C@]2(C)C1 ZINC000896914509 708181632 /nfs/dbraw/zinc/18/16/32/708181632.db2.gz JHXFCMACJIBNBU-BZNIZROVSA-N 1 0 313.361 1.926 20 5 DDBDRO C[N@H+](CCO)CCNc1ncc(Br)cc1[N+](=O)[O-] ZINC000884824770 708388277 /nfs/dbraw/zinc/38/82/77/708388277.db2.gz MZPMTSMUDGRHEK-UHFFFAOYSA-N 1 0 319.159 1.088 20 5 DDBDRO CN1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC[N@H+](C)CC1 ZINC000897854964 708470635 /nfs/dbraw/zinc/47/06/35/708470635.db2.gz QGYPUWYMLCGSMU-FNORWQNLSA-N 1 0 318.421 1.787 20 5 DDBDRO Cn1nnnc1CCC[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000898039980 708525950 /nfs/dbraw/zinc/52/59/50/708525950.db2.gz MAQQWJJZPPWKKA-UHFFFAOYSA-N 1 0 310.745 1.494 20 5 DDBDRO COC(=O)[C@]12CCC[C@H]1[N@H+](Cc1cccnc1[N+](=O)[O-])CC2 ZINC000886315210 708741197 /nfs/dbraw/zinc/74/11/97/708741197.db2.gz AUXGOXGKUVOUAQ-DOMZBBRYSA-N 1 0 305.334 1.907 20 5 DDBDRO CCN(CC(=O)Nc1c(C)cccc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000886858181 708866833 /nfs/dbraw/zinc/86/68/33/708866833.db2.gz QAMHSPKMXLBINM-LBPRGKRZSA-N 1 0 306.366 1.526 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@@H]([NH+](C)C)C23CCC3)n1 ZINC000898833556 708883614 /nfs/dbraw/zinc/88/36/14/708883614.db2.gz VIECBHKWIXLROF-NWDGAFQWSA-N 1 0 321.381 1.414 20 5 DDBDRO C[C@H](CNC(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C)c1ccccc1[N+](=O)[O-] ZINC000887399070 709036585 /nfs/dbraw/zinc/03/65/85/709036585.db2.gz MBGMKGZHPLNGQO-XHBSWPGZSA-N 1 0 321.377 1.270 20 5 DDBDRO C[NH+]1CCC2(CCN2C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000889221433 709463881 /nfs/dbraw/zinc/46/38/81/709463881.db2.gz FKEWQRFCZUPELA-CQSZACIVSA-N 1 0 319.361 1.325 20 5 DDBDRO Cc1cc(C(=O)N2CC[C@H]([NH+]3CCC3)C2)c(N)c([N+](=O)[O-])c1 ZINC000912915238 713122466 /nfs/dbraw/zinc/12/24/66/713122466.db2.gz KMDBRJMRSMYFMK-NSHDSACASA-N 1 0 304.350 1.406 20 5 DDBDRO CCCc1n[nH]c(C(=O)N2CC[C@@H]([NH+]3CCC3)C2)c1[N+](=O)[O-] ZINC000912916750 713123192 /nfs/dbraw/zinc/12/31/92/713123192.db2.gz RLZFVEFAVHALHZ-SNVBAGLBSA-N 1 0 307.354 1.191 20 5 DDBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N1CC[C@H]([NH+]2CCC2)C1 ZINC000912922140 713125249 /nfs/dbraw/zinc/12/52/49/713125249.db2.gz OFVPZCHQFRDFMJ-ZDUSSCGKSA-N 1 0 318.377 1.703 20 5 DDBDRO CCN(C(=O)NCCc1ccccc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000891605838 710246598 /nfs/dbraw/zinc/24/65/98/710246598.db2.gz AAMFKEOFAJVRIZ-CYBMUJFWSA-N 1 0 306.366 1.531 20 5 DDBDRO CCOC(=O)c1cc([N+](=O)[O-])c(N2C[C@H]3C[NH2+]C[C@H]3C2)cc1C ZINC000891929716 710330398 /nfs/dbraw/zinc/33/03/98/710330398.db2.gz QDFRHNNANMPGEW-TXEJJXNPSA-N 1 0 319.361 1.736 20 5 DDBDRO C[C@@]1(NC(=O)c2cc(F)ccc2[N+](=O)[O-])C[NH+]2CCC1CC2 ZINC000892785451 710498172 /nfs/dbraw/zinc/49/81/72/710498172.db2.gz OHXBDRJPIPMZDS-OAHLLOKOSA-N 1 0 307.325 1.948 20 5 DDBDRO Cn1ccnc1[C@@H](NCC1([NH3+])CC1)c1ccc([N+](=O)[O-])cc1 ZINC000902406555 710744184 /nfs/dbraw/zinc/74/41/84/710744184.db2.gz NXNJOGMOAWXSDL-ZDUSSCGKSA-N 1 0 301.350 1.499 20 5 DDBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902473083 710764432 /nfs/dbraw/zinc/76/44/32/710764432.db2.gz QJEQEYMUXBEIBN-MMMKDXCPSA-N 1 0 318.377 1.794 20 5 DDBDRO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CC[C@@H]2C[N@H+](C)C[C@@H]21 ZINC000893936009 710892093 /nfs/dbraw/zinc/89/20/93/710892093.db2.gz TYNZPZWGTDGQJQ-SFYZADRCSA-N 1 0 319.287 1.487 20 5 DDBDRO O=C(CCc1cc(F)ccc1[N+](=O)[O-])NCC[C@@H]1CC[NH2+]C1 ZINC000911765559 710972799 /nfs/dbraw/zinc/97/27/99/710972799.db2.gz BWQYSHITMAYVNJ-NSHDSACASA-N 1 0 309.341 1.782 20 5 DDBDRO COc1cc([C@@H](C)[NH2+][C@@H]2CCCCNC2=O)cc([N+](=O)[O-])c1 ZINC000903064555 711021317 /nfs/dbraw/zinc/02/13/17/711021317.db2.gz CLTVAILCAGIPNN-QMTHXVAHSA-N 1 0 307.350 1.923 20 5 DDBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1COC[C@H]1C ZINC000903399751 711114621 /nfs/dbraw/zinc/11/46/21/711114621.db2.gz JIRJZGYPYBTWIN-JTNHKYCSSA-N 1 0 307.350 1.936 20 5 DDBDRO C[C@@H]1[NH2+]CCn2c(C(=O)NCc3ccccc3[N+](=O)[O-])ccc21 ZINC000912255837 711248621 /nfs/dbraw/zinc/24/86/21/711248621.db2.gz PNWKQIPUOVXMIC-NSHDSACASA-N 1 0 314.345 1.991 20 5 DDBDRO [NH3+][C@H](CC(F)F)CN1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000903884450 711316375 /nfs/dbraw/zinc/31/63/75/711316375.db2.gz AHXGZYKMMRWJSV-LLVKDONJSA-N 1 0 314.336 1.699 20 5 DDBDRO C[NH+](C)CC1(O)CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000894954632 711337241 /nfs/dbraw/zinc/33/72/41/711337241.db2.gz NFGWPNTYEASUCY-UHFFFAOYSA-N 1 0 315.320 1.766 20 5 DDBDRO C[NH+](C)C[C@@]1(O)CCN(c2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000895010839 711365950 /nfs/dbraw/zinc/36/59/50/711365950.db2.gz WHLFWKVOCMAZBE-INIZCTEOSA-N 1 0 316.361 1.646 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(NCCN2CCC3(C2)OCCO3)c1 ZINC000895253708 711467438 /nfs/dbraw/zinc/46/74/38/711467438.db2.gz KGUBSTGDJKFDTP-UHFFFAOYSA-N 1 0 307.350 1.764 20 5 DDBDRO C[C@H]1[C@@H](Nc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)CC[N@@H+]1C ZINC000895735269 711590449 /nfs/dbraw/zinc/59/04/49/711590449.db2.gz CBRDJOPBCDHFMI-BQBZGAKWSA-N 1 0 307.276 1.852 20 5 DDBDRO C[C@H]1[C@@H](Nc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)CC[N@@H+]1C ZINC000895735149 711590495 /nfs/dbraw/zinc/59/04/95/711590495.db2.gz VFKUYKZQOAFIRI-HZMBPMFUSA-N 1 0 318.377 1.992 20 5 DDBDRO O=C(NCc1cccc([N+](=O)[O-])c1)C1C[NH+](C2CCOCC2)C1 ZINC000895940775 711651932 /nfs/dbraw/zinc/65/19/32/711651932.db2.gz ZRSAVQURTGNWHI-UHFFFAOYSA-N 1 0 319.361 1.322 20 5 DDBDRO CC(C)(C(=O)NC12CC[NH+](CC1)C2)c1ccccc1[N+](=O)[O-] ZINC000913634192 713273404 /nfs/dbraw/zinc/27/34/04/713273404.db2.gz FWPHGUHIIIVYQK-UHFFFAOYSA-N 1 0 303.362 1.837 20 5 DDBDRO CN(C(=O)c1ccncc1)c1ccc(C[NH2+]CC[N+](=O)[O-])cc1 ZINC000905129197 711945272 /nfs/dbraw/zinc/94/52/72/711945272.db2.gz XECLFGYKCRYRNR-UHFFFAOYSA-N 1 0 314.345 1.725 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CCc1ccns1 ZINC000905418017 712032558 /nfs/dbraw/zinc/03/25/58/712032558.db2.gz PBAXRMZDNVTSHD-LLVKDONJSA-N 1 0 323.374 1.623 20 5 DDBDRO CC1(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC(F)(F)C1 ZINC000905423933 712034208 /nfs/dbraw/zinc/03/42/08/712034208.db2.gz ZRQRGLKAEKEXTD-JTQLQIEISA-N 1 0 304.297 1.177 20 5 DDBDRO CN(C)c1ccnc(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000905526212 712065417 /nfs/dbraw/zinc/06/54/17/712065417.db2.gz UQWYWQSHSRCKLT-MRXNPFEDSA-N 1 0 316.361 1.879 20 5 DDBDRO [NH3+]CC1CCN(C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC000906628250 712374172 /nfs/dbraw/zinc/37/41/72/712374172.db2.gz RYUDZMSXDAOYDT-LSDHHAIUSA-N 1 0 303.362 1.896 20 5 DDBDRO O=[N+]([O-])c1ccc(NCCCC[NH+]2CCOCC2)c2nonc21 ZINC000917074231 713481098 /nfs/dbraw/zinc/48/10/98/713481098.db2.gz GBJDBFMMQAURNC-UHFFFAOYSA-N 1 0 321.337 1.655 20 5 DDBDRO COc1ccc(C[NH2+]CC[C@H]2CC(=O)N(C)C2)cc1[N+](=O)[O-] ZINC000922489627 714069219 /nfs/dbraw/zinc/06/92/19/714069219.db2.gz RGFIDARHCHOHST-LBPRGKRZSA-N 1 0 307.350 1.561 20 5 DDBDRO COc1ccc(C(=O)N2[C@@H]3CC[C@H]2C[N@H+](C)CC3)cc1[N+](=O)[O-] ZINC000923312296 714307428 /nfs/dbraw/zinc/30/74/28/714307428.db2.gz DJVZJGAIECRGOF-OLZOCXBDSA-N 1 0 319.361 1.912 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000923359613 714327013 /nfs/dbraw/zinc/32/70/13/714327013.db2.gz SZFDNPSZHFTCGR-MJBXVCDLSA-N 1 0 321.377 1.018 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000923359611 714327059 /nfs/dbraw/zinc/32/70/59/714327059.db2.gz SZFDNPSZHFTCGR-MCIONIFRSA-N 1 0 321.377 1.018 20 5 DDBDRO CC(C)[C@H]1C[NH2+]CCN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000923399981 714342624 /nfs/dbraw/zinc/34/26/24/714342624.db2.gz UEDKCAZNYKLCBZ-GOEBONIOSA-N 1 0 323.393 1.264 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H]1COC[C@@H]1C ZINC000932495197 714346552 /nfs/dbraw/zinc/34/65/52/714346552.db2.gz VWDBQJPFLAFNPR-SMDDNHRTSA-N 1 0 307.350 1.856 20 5 DDBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCN(C)CC[N@H+](C)CC1 ZINC000933998617 714719283 /nfs/dbraw/zinc/71/92/83/714719283.db2.gz LLKPLCJPAWZCIO-CQSZACIVSA-N 1 0 306.410 1.835 20 5 DDBDRO O=[N+]([O-])c1ccc(CN2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)c(F)c1 ZINC000934257581 714776896 /nfs/dbraw/zinc/77/68/96/714776896.db2.gz AMTVHBOVCKWFIH-HZPDHXFCSA-N 1 0 323.368 1.765 20 5 DDBDRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2cccc([N+](=O)[O-])n2)C1 ZINC001164729161 720509224 /nfs/dbraw/zinc/50/92/24/720509224.db2.gz HSMCPZOJQIRLRA-LBPRGKRZSA-N 1 0 316.365 1.384 20 5 DDBDRO CCC(CC)N(CC)c1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001167107757 732662399 /nfs/dbraw/zinc/66/23/99/732662399.db2.gz XLXALOUKMITOQI-UHFFFAOYSA-N 1 0 322.413 1.809 20 5 DDBDRO CC(C)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC001025685015 736820052 /nfs/dbraw/zinc/82/00/52/736820052.db2.gz JQFZMZLUYCSMBH-FICVDOATSA-N 1 0 303.362 1.797 20 5 DDBDRO [NH3+]CCc1ccn(-c2nccc(Br)c2[N+](=O)[O-])n1 ZINC001167731299 737216852 /nfs/dbraw/zinc/21/68/52/737216852.db2.gz DPOBEGSNQYGIJD-UHFFFAOYSA-N 1 0 312.127 1.439 20 5 DDBDRO Cn1cc(N(C(N)=[NH2+])c2ccc(F)cc2)cc([N+](=O)[O-])c1=O ZINC001167992073 740430943 /nfs/dbraw/zinc/43/09/43/740430943.db2.gz MCBJKELYVVZFMU-UHFFFAOYSA-N 1 0 305.269 1.464 20 5 DDBDRO O=[N+]([O-])c1c(NC2(c3ccccn3)CC2)ncnc1C1C[NH2+]C1 ZINC001168149465 741616827 /nfs/dbraw/zinc/61/68/27/741616827.db2.gz RUXPLXGYCMKDKH-UHFFFAOYSA-N 1 0 312.333 1.568 20 5 DDBDRO Cc1cc(NC2(CNC(=O)CC[NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC001110325268 743767763 /nfs/dbraw/zinc/76/77/63/743767763.db2.gz CNWNRGQJJQIOEK-UHFFFAOYSA-N 1 0 320.393 1.916 20 5 DDBDRO CC[N@H+](C)[C@@H]1CCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC001198883810 747646007 /nfs/dbraw/zinc/64/60/07/747646007.db2.gz VJIJPXFAFVAJBI-OAHLLOKOSA-N 1 0 320.393 1.584 20 5 DDBDRO COCCCCC(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001124573156 748334395 /nfs/dbraw/zinc/33/43/95/748334395.db2.gz NWTVDMUMYHLKJF-UHFFFAOYSA-N 1 0 315.395 1.679 20 5 DDBDRO COc1ncc([N+](=O)[O-])cc1-n1cnc(C)c1CSCC[NH3+] ZINC001168788766 761954488 /nfs/dbraw/zinc/95/44/88/761954488.db2.gz YPBNDWJSNXVBCA-UHFFFAOYSA-N 1 0 323.378 1.684 20 5 DDBDRO Cc1ccnc(NC/C=C\CNC(=O)CC[NH+](C)C)c1[N+](=O)[O-] ZINC001107490039 750045800 /nfs/dbraw/zinc/04/58/00/750045800.db2.gz QJUYKDKCNDGHEO-PLNGDYQASA-N 1 0 321.381 1.334 20 5 DDBDRO CCC(CC)C[N@H+]1CC=C(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001000673137 762077334 /nfs/dbraw/zinc/07/73/34/762077334.db2.gz FGDZSXUSAPQNCM-HUUCEWRRSA-N 1 0 309.410 1.836 20 5 DDBDRO COC(=O)C[C@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)c1cccnc1 ZINC001168985252 762152449 /nfs/dbraw/zinc/15/24/49/762152449.db2.gz SDMBTSAVTRIGQE-UBHSHLNASA-N 1 0 307.350 1.721 20 5 DDBDRO CCn1c(=O)ccc2c1CC[C@@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001168960165 762155010 /nfs/dbraw/zinc/15/50/10/762155010.db2.gz DJANCSSMDWLNJU-BPLDGKMQSA-N 1 0 319.405 1.761 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2cc(OC3COC3)ccn2)C1 ZINC001168975805 762164844 /nfs/dbraw/zinc/16/48/44/762164844.db2.gz XHKCXDMLWRSHTK-VXGBXAGGSA-N 1 0 307.350 1.394 20 5 DDBDRO [NH3+][C@H]1CC[C@H](N=c2cnccn2[C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168994585 762167988 /nfs/dbraw/zinc/16/79/88/762167988.db2.gz QDYKIXBXLGOURT-ZQDZILKHSA-N 1 0 319.409 1.672 20 5 DDBDRO Cc1cc(N2CCC([NH2+][C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)ncn1 ZINC001168999422 762171111 /nfs/dbraw/zinc/17/11/11/762171111.db2.gz SXUOIAJZQJCMCQ-DZGCQCFKSA-N 1 0 319.409 1.789 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CN(c3ccccc3)CCO2)C1 ZINC001168988132 762180524 /nfs/dbraw/zinc/18/05/24/762180524.db2.gz OGAPTOARRRQJFF-INMHGKMJSA-N 1 0 319.405 1.927 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCN(CCc3ccccn3)CC2)C1 ZINC001169027419 762183298 /nfs/dbraw/zinc/18/32/98/762183298.db2.gz PKSRSXRYQWTLNO-NVXWUHKLSA-N 1 0 318.421 1.687 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2C[C@@H](OCC3CC3)[C@H]3COC[C@H]32)C1 ZINC001169030129 762186401 /nfs/dbraw/zinc/18/64/01/762186401.db2.gz WUHQBOWUUZHXRJ-IBEHDNSVSA-N 1 0 310.394 1.558 20 5 DDBDRO COc1cccc(N2CC[NH+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)n1 ZINC001169039542 762193538 /nfs/dbraw/zinc/19/35/38/762193538.db2.gz QXUVXHPGIQXBHM-ZIAGYGMSSA-N 1 0 320.393 1.658 20 5 DDBDRO O=C(NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1nccs1 ZINC001169041940 762195812 /nfs/dbraw/zinc/19/58/12/762195812.db2.gz SSJCTEHOSMITHD-UHFFFAOYSA-N 1 0 320.374 1.961 20 5 DDBDRO CCn1ncc2c1[C@H](COC)C[N@@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169025073 762201863 /nfs/dbraw/zinc/20/18/63/762201863.db2.gz XNEIHPOAOMUOIM-VHDGCEQUSA-N 1 0 322.409 1.894 20 5 DDBDRO O=C1[C@H]2C[N@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@H]2CN1CC1CC1 ZINC001169025221 762203344 /nfs/dbraw/zinc/20/33/44/762203344.db2.gz YDZUWGPWPFHOBM-XQLPTFJDSA-N 1 0 307.394 1.232 20 5 DDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CCN(c3ncccc3F)CC2)C1 ZINC001169056905 762211138 /nfs/dbraw/zinc/21/11/38/762211138.db2.gz UBZKGSNXPBLPRB-STQMWFEESA-N 1 0 308.357 1.788 20 5 DDBDRO [NH3+]Cc1cnnn1-c1cnc(Oc2ccc([N+](=O)[O-])cc2)nc1 ZINC001169310497 762357929 /nfs/dbraw/zinc/35/79/29/762357929.db2.gz YPXZJKHALNXBEU-UHFFFAOYSA-N 1 0 313.277 1.217 20 5 DDBDRO CS(=O)(=O)C1CC([NH2+]CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC001119942657 758138636 /nfs/dbraw/zinc/13/86/36/758138636.db2.gz DDAMMWVPGDYTLZ-UHFFFAOYSA-N 1 0 314.363 1.139 20 5 DDBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)c1ccon1 ZINC001020008762 760420043 /nfs/dbraw/zinc/42/00/43/760420043.db2.gz DEQNDTVKNDAOHK-HAQNSBGRSA-N 1 0 316.317 1.633 20 5 DDBDRO [NH3+]Cc1ccc2nnn(-c3ccc([N+](=O)[O-])c4c3CNC4=O)c2c1 ZINC001170025489 764143785 /nfs/dbraw/zinc/14/37/85/764143785.db2.gz BVMJIMOOXJGIGK-UHFFFAOYSA-N 1 0 324.300 1.031 20 5 DDBDRO COc1ccc(C[C@H](C)[NH2+]CCS(C)(=O)=O)c([N+](=O)[O-])c1 ZINC001170298946 766227531 /nfs/dbraw/zinc/22/75/31/766227531.db2.gz OOHFDKHDBYKVNS-JTQLQIEISA-N 1 0 316.379 1.169 20 5 DDBDRO CN(C)c1ccc(NCCOCCOCC[NH3+])c([N+](=O)[O-])c1 ZINC001170510926 767682735 /nfs/dbraw/zinc/68/27/35/767682735.db2.gz GQQFYIWQLLUPFC-UHFFFAOYSA-N 1 0 312.370 1.065 20 5 DDBDRO Cc1c(C(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)ccn1C ZINC001133493263 769897828 /nfs/dbraw/zinc/89/78/28/769897828.db2.gz YXEVSELMXPKVAN-UHFFFAOYSA-N 1 0 322.390 1.823 20 5 DDBDRO Cc1nc(C)c(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)[nH]1 ZINC001133988225 770528051 /nfs/dbraw/zinc/52/80/51/770528051.db2.gz AFWYIZOTMILGPL-UHFFFAOYSA-N 1 0 317.349 1.454 20 5 DDBDRO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1cc([N+](=O)[O-])cc(F)c1C ZINC001170875543 771820283 /nfs/dbraw/zinc/82/02/83/771820283.db2.gz ZSTRPTSXHKMTMF-ZWNOBZJWSA-N 1 0 311.313 1.605 20 5 DDBDRO CC[C@@]([NH3+])(CO)NC(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1 ZINC001159743890 771916240 /nfs/dbraw/zinc/91/62/40/771916240.db2.gz NLEQORNPBLJZAZ-VIFPVBQESA-N 1 0 310.688 1.339 20 5 DDBDRO Cc1ccnc(NCCNC(=O)C2(C[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC001094090065 775422541 /nfs/dbraw/zinc/42/25/41/775422541.db2.gz WYANZGSYQRTHJS-UHFFFAOYSA-N 1 0 321.381 1.168 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(NCCNC(=O)CCC[NH+](C)C)c1 ZINC001094094588 775427156 /nfs/dbraw/zinc/42/71/56/775427156.db2.gz VSYGPRNCNNLSDC-UHFFFAOYSA-N 1 0 308.382 1.773 20 5 DDBDRO CCC[N@H+](C)CC(=O)NCCCNc1ncc([N+](=O)[O-])cc1C ZINC001094517123 775973190 /nfs/dbraw/zinc/97/31/90/775973190.db2.gz DUFRUZMNRWDNCM-UHFFFAOYSA-N 1 0 323.397 1.558 20 5 DDBDRO CN(C)C(=O)CC[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172899166 776914297 /nfs/dbraw/zinc/91/42/97/776914297.db2.gz LKKKZGZGIUGKHI-CQSZACIVSA-N 1 0 305.378 1.910 20 5 DDBDRO CC(C)[C@H]([NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1)C(N)=O ZINC001172902306 776916148 /nfs/dbraw/zinc/91/61/48/776916148.db2.gz WZQJXNKXTCKZEG-HIFRSBDPSA-N 1 0 305.378 1.942 20 5 DDBDRO C[C@@H]1CN([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC(=O)N1 ZINC001172907531 776918464 /nfs/dbraw/zinc/91/84/64/776918464.db2.gz GXQVGZYIALVFLJ-BXUZGUMPSA-N 1 0 303.362 1.663 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+]2C[C@H](O)[C@@H](C)C2)c1F ZINC001173181329 777035498 /nfs/dbraw/zinc/03/54/98/777035498.db2.gz OQGPBRHMPRPQTN-CWSCBRNRSA-N 1 0 312.341 1.986 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)n2nnc(CC[NH3+])n2)c1F ZINC001173179896 777035538 /nfs/dbraw/zinc/03/55/38/777035538.db2.gz RTFJVSCOJWOTNA-QMMMGPOBSA-N 1 0 324.316 1.034 20 5 DDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCO[C@H](C[NH+](C)C)C1 ZINC001173221209 777053455 /nfs/dbraw/zinc/05/34/55/777053455.db2.gz GIQLIJCMEUEEAR-CZUORRHYSA-N 1 0 307.394 1.788 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[NH+](C(C)(C)C)CC1 ZINC001115929560 780461884 /nfs/dbraw/zinc/46/18/84/780461884.db2.gz PREGUTNVSBIQSF-UHFFFAOYSA-N 1 0 323.397 1.433 20 5 DDBDRO [NH3+][C@@H]1CCCC[C@H]1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC001118081827 781019371 /nfs/dbraw/zinc/01/93/71/781019371.db2.gz GLRRJROEBWEDMJ-ZIAGYGMSSA-N 1 0 307.350 1.607 20 5 DDBDRO C[NH2+][C@H](C)CCNC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC001118206277 781060764 /nfs/dbraw/zinc/06/07/64/781060764.db2.gz UNVVPBKKLCMUCV-MRVPVSSYSA-N 1 0 324.337 1.848 20 5 DDBDRO O=C(Cc1cccc(F)c1[N+](=O)[O-])N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001118921842 781273498 /nfs/dbraw/zinc/27/34/98/781273498.db2.gz GPVGBVZAMLEKJT-ZDUSSCGKSA-N 1 0 321.352 1.973 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCOC3(C[NH2+]C3)C2)c1C ZINC001119299408 781398585 /nfs/dbraw/zinc/39/85/85/781398585.db2.gz MRVRLWHBELMNDT-UHFFFAOYSA-N 1 0 305.334 1.026 20 5 DDBDRO O=C(N[C@H]1C[C@@H]([NH2+]CCCCC(F)(F)F)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001266682823 836660638 /nfs/dbraw/zinc/66/06/38/836660638.db2.gz AVOBBQDYOSOPAK-LMLFDSFASA-N 1 0 323.315 1.621 20 5 DDBDRO C[NH+](C)CC[C@H]1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC001154645490 861315509 /nfs/dbraw/zinc/31/55/09/861315509.db2.gz ZLMIOKIVIPEZSU-ZDUSSCGKSA-N 1 0 320.393 1.807 20 5 DDBDRO C[C@@H](CN1CC[NH2+]CC1)Nc1cnc2cc([N+](=O)[O-])ccc2n1 ZINC001154748664 861420930 /nfs/dbraw/zinc/42/09/30/861420930.db2.gz JAHNMBPXSHSDCV-NSHDSACASA-N 1 0 316.365 1.244 20 5 DDBDRO C[C@@]1(O)CC[C@@H](Nc2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)CC1 ZINC001154956370 861600492 /nfs/dbraw/zinc/60/04/92/861600492.db2.gz QTZQTIGYJHOQHP-YPFXGUDJSA-N 1 0 307.354 1.177 20 5 DDBDRO C[C@H]1C[NH2+]CCC[C@@H]1CNc1c(Cl)[n+]([O-])ccc1[N+](=O)[O-] ZINC001155027231 861659585 /nfs/dbraw/zinc/65/95/85/861659585.db2.gz ZYAMSRCQUMAOHA-VHSXEESVSA-N 1 0 314.773 1.929 20 5 DDBDRO CCCCC(=O)NCC1([NH2+]Cc2c([N+](=O)[O-])ncn2C)CCC1 ZINC001273047889 847835411 /nfs/dbraw/zinc/83/54/11/847835411.db2.gz LKTQPBHXEOWUMU-UHFFFAOYSA-N 1 0 323.397 1.647 20 5 DDBDRO O=[N+]([O-])c1ccc2ncnc(NC[C@]34C[NH2+]C[C@H]3COC4)c2c1 ZINC001155516565 862182855 /nfs/dbraw/zinc/18/28/55/862182855.db2.gz BIPQNLXZKYVCPR-BONVTDFDSA-N 1 0 315.333 1.186 20 5 DDBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001155590852 862265560 /nfs/dbraw/zinc/26/55/60/862265560.db2.gz FJHTVOGOVBQXPC-IUODEOHRSA-N 1 0 306.366 1.869 20 5 DDBDRO Cc1ccnc(NCC2([NH+](C)C)CCN(C)CC2)c1[N+](=O)[O-] ZINC001156177015 862776282 /nfs/dbraw/zinc/77/62/82/862776282.db2.gz YFCKLBIRXUSGTG-UHFFFAOYSA-N 1 0 307.398 1.736 20 5 DDBDRO CCN(C(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)[C@@H]1CC[NH2+]C1 ZINC001122215483 858716755 /nfs/dbraw/zinc/71/67/55/858716755.db2.gz XRIFBTROCVPBQT-QLFBSQMISA-N 1 0 303.362 1.909 20 5 DDBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001122389855 858789995 /nfs/dbraw/zinc/78/99/95/858789995.db2.gz OLVVPQHLOZDXSY-VHDGCEQUSA-N 1 0 318.377 1.796 20 5 DDBDRO Cc1ccc(C(=O)N[C@@H]2CC[C@@H]3C[N@@H+](C)C[C@@H]23)cc1[N+](=O)[O-] ZINC001124088472 859572018 /nfs/dbraw/zinc/57/20/18/859572018.db2.gz UWTJSHZIGRYCQP-MGPQQGTHSA-N 1 0 303.362 1.973 20 5 DDBDRO [NH3+]CCc1nccn1-c1nc(Cl)c(Cl)cc1[N+](=O)[O-] ZINC001156477739 863083819 /nfs/dbraw/zinc/08/38/19/863083819.db2.gz IYGAADBEFSEKBY-UHFFFAOYSA-N 1 0 302.121 1.984 20 5 DDBDRO COc1ncnc(-n2ccc3cc(C[NH3+])cnc32)c1[N+](=O)[O-] ZINC001156594223 863174200 /nfs/dbraw/zinc/17/42/00/863174200.db2.gz DIXCHKWMSYUZHN-UHFFFAOYSA-N 1 0 300.278 1.191 20 5 DDBDRO C[C@H]1C[C@H](NC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)CC[NH2+]1 ZINC001328727992 863178843 /nfs/dbraw/zinc/17/88/43/863178843.db2.gz IHGHXDMFRKPPPX-GXFFZTMASA-N 1 0 304.350 1.761 20 5 DDBDRO C[N@@H+]1CCC[C@H]2CN(c3ncc([N+](=O)[O-])cc3[N+](=O)[O-])C[C@H]21 ZINC001157266668 863696072 /nfs/dbraw/zinc/69/60/72/863696072.db2.gz VXJIZHOIWLFAHZ-JOYOIKCWSA-N 1 0 307.310 1.428 20 5 DDBDRO COc1cc2ncnc(N[C@H]3C[NH2+]CC[C@H]3F)c2cc1[N+](=O)[O-] ZINC001157447998 863825087 /nfs/dbraw/zinc/82/50/87/863825087.db2.gz QLZCWBPEMRIDPS-KOLCDFICSA-N 1 0 321.312 1.659 20 5 DDBDRO Cc1ncc([N+](=O)[O-])c(N(c2cnccn2)C2CC[NH2+]CC2)n1 ZINC001157541065 863902157 /nfs/dbraw/zinc/90/21/57/863902157.db2.gz DDXZFAILAKTZSF-UHFFFAOYSA-N 1 0 315.337 1.373 20 5 DDBDRO NC(=[NH2+])c1nccn1-c1ccc(-c2ccc([N+](=O)[O-])cc2)nn1 ZINC001157625836 863989006 /nfs/dbraw/zinc/98/90/06/863989006.db2.gz AWIVEOKIECNPCY-UHFFFAOYSA-N 1 0 309.289 1.522 20 5 DDBDRO Cc1nc(N2CCO[C@@H](C[NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC001158303768 864556042 /nfs/dbraw/zinc/55/60/42/864556042.db2.gz CVQDHWBGJCAMPL-ZDUSSCGKSA-N 1 0 306.366 1.599 20 5 DDBDRO Cc1c(C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)cccc1[N+](=O)[O-] ZINC001331017684 864778909 /nfs/dbraw/zinc/77/89/09/864778909.db2.gz ORRLMILCBOMIIT-JTQLQIEISA-N 1 0 313.304 1.878 20 5 DDBDRO [NH3+]CCOCCOCCNc1cc([N+](=O)[O-])cc(Cl)n1 ZINC001159442792 865297726 /nfs/dbraw/zinc/29/77/26/865297726.db2.gz DJBQQEJFNVROLL-UHFFFAOYSA-N 1 0 304.734 1.047 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]Cc2ccc3c(c2)CCC3)c1 ZINC001331962902 865463406 /nfs/dbraw/zinc/46/34/06/865463406.db2.gz PWGZGJWJTITTTK-MRXNPFEDSA-N 1 0 316.361 1.431 20 5 DDBDRO CC[N@H+](C)[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC001160152452 865702647 /nfs/dbraw/zinc/70/26/47/865702647.db2.gz BISZCSGSGMJCQC-LBPRGKRZSA-N 1 0 307.350 1.770 20 5 DDBDRO O=C(Cc1ccccc1[N+](=O)[O-])NC[C@@H]1C[NH2+]CCC1(F)F ZINC001333770783 867000445 /nfs/dbraw/zinc/00/04/45/867000445.db2.gz JKBAYFQLPHLAJU-NSHDSACASA-N 1 0 313.304 1.498 20 5 DDBDRO [NH3+]C1CCN(CCNc2ncnc3cc([N+](=O)[O-])ccc32)CC1 ZINC001161867523 867046901 /nfs/dbraw/zinc/04/69/01/867046901.db2.gz IMNIAXRTTHVVDC-UHFFFAOYSA-N 1 0 316.365 1.373 20 5 DDBDRO COC(=O)c1ccc(C[NH3+])n1-c1nc(C)cc(Cl)c1[N+](=O)[O-] ZINC001161934086 867112561 /nfs/dbraw/zinc/11/25/61/867112561.db2.gz HPMVYHOBFHPCSQ-UHFFFAOYSA-N 1 0 324.724 1.988 20 5 DDBDRO CC1(C)C[NH2+]C[C@H](CNc2nccc(Cl)c2[N+](=O)[O-])O1 ZINC001161950473 867133209 /nfs/dbraw/zinc/13/32/09/867133209.db2.gz HYHNVJFIXPVWKP-MRVPVSSYSA-N 1 0 300.746 1.822 20 5 DDBDRO CC1(C)C[NH2+]C[C@H](CNc2ncnc3cc([N+](=O)[O-])ccc32)O1 ZINC001161954521 867138880 /nfs/dbraw/zinc/13/88/80/867138880.db2.gz XDKITXLXXHIFDA-LLVKDONJSA-N 1 0 317.349 1.717 20 5 DDBDRO CCCOC(=O)c1ccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)cc1 ZINC001228002464 883279698 /nfs/dbraw/zinc/27/96/98/883279698.db2.gz FLKYMEVBGROYFL-CQSZACIVSA-N 1 0 324.397 1.616 20 5 DDBDRO Cc1nc(N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)ncc1[N+](=O)[O-] ZINC001324416541 867266711 /nfs/dbraw/zinc/26/67/11/867266711.db2.gz FZCCCNPWJYPGLN-GFCCVEGCSA-N 1 0 320.397 1.274 20 5 DDBDRO O=C(N[C@H]1CCC[NH2+]CC1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001325327404 867946385 /nfs/dbraw/zinc/94/63/85/867946385.db2.gz UAYOIXCEPPHCQY-AWEZNQCLSA-N 1 0 318.377 1.805 20 5 DDBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1Nc1ccc([C@@H](C[NH3+])CO)cc1 ZINC001163053131 868041785 /nfs/dbraw/zinc/04/17/85/868041785.db2.gz OFRDRQQKLBSUOZ-LBPRGKRZSA-N 1 0 318.333 1.315 20 5 DDBDRO O=[N+]([O-])c1ccc(NC[C@]23C[NH2+]C[C@H]2COC3)c2ccncc21 ZINC001163154508 868168066 /nfs/dbraw/zinc/16/80/66/868168066.db2.gz VNERTHMPKPCKRK-ZBEGNZNMSA-N 1 0 314.345 1.791 20 5 DDBDRO O=[N+]([O-])c1c(NC[C@@]23C[NH2+][C@@H](CO2)C3)ccc2cnccc21 ZINC001163202515 868211894 /nfs/dbraw/zinc/21/18/94/868211894.db2.gz JEAUEZUQOKQRSN-IAQYHMDHSA-N 1 0 300.318 1.686 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])ncc1N[C@H]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC001163268365 868286516 /nfs/dbraw/zinc/28/65/16/868286516.db2.gz GNMFBRKPMCSPTD-MIMYLULJSA-N 1 0 306.322 1.186 20 5 DDBDRO COc1ccc([N+](=O)[O-])nc1NC[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001163278660 868301639 /nfs/dbraw/zinc/30/16/39/868301639.db2.gz IJWNAYFQAJMPMG-IAQYHMDHSA-N 1 0 322.365 1.569 20 5 DDBDRO Cc1c(F)cnc(N[C@H]2CCO[C@@]3(CC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC001163310367 868339385 /nfs/dbraw/zinc/33/93/85/868339385.db2.gz LAEOGUJTCNVIJG-HZMBPMFUSA-N 1 0 310.329 1.760 20 5 DDBDRO O=[N+]([O-])c1c(N[C@H]2C[NH2+][C@@H]3CCO[C@@H]32)ccc2cnccc21 ZINC001163342924 868375503 /nfs/dbraw/zinc/37/55/03/868375503.db2.gz LJJYQYRQHHPYBS-IPYPFGDCSA-N 1 0 300.318 1.684 20 5 DDBDRO C[C@@H]1CC[C@H](C[NH3+])N(c2cc([N+](=O)[O-])cc(Cl)[n+]2[O-])C1 ZINC001164073640 868927483 /nfs/dbraw/zinc/92/74/83/868927483.db2.gz NKJGMDKQNIRWOE-RKDXNWHRSA-N 1 0 300.746 1.445 20 5 DDBDRO COC(=O)c1cnc(N2CCC[C@@](C)(C[NH3+])CC2)c([N+](=O)[O-])c1 ZINC001164241310 869048330 /nfs/dbraw/zinc/04/83/30/869048330.db2.gz BZBUBRFLMFYBJI-OAHLLOKOSA-N 1 0 322.365 1.732 20 5 DDBDRO O=C(NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@H]1[C@@H]2COC[C@@H]21 ZINC001164268235 869074792 /nfs/dbraw/zinc/07/47/92/869074792.db2.gz FBBCXUCVZKAWHN-FICVDOATSA-N 1 0 319.361 1.083 20 5 DDBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2C[C@H](C[NH3+])CC[C@H]2C)n1 ZINC001164473851 869219455 /nfs/dbraw/zinc/21/94/55/869219455.db2.gz KBQXLNCUXGCNHZ-KCJUWKMLSA-N 1 0 322.369 1.215 20 5 DDBDRO Cc1nc(N2CC[NH2+][C@@H](Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC001164628226 869332995 /nfs/dbraw/zinc/33/29/95/869332995.db2.gz ZEDNQSQZOMHSQW-AWEZNQCLSA-N 1 0 313.361 1.714 20 5 DDBDRO Nc1cc(N2CC[NH+](CC3CCOCC3)CC2)ncc1[N+](=O)[O-] ZINC001337869077 869664646 /nfs/dbraw/zinc/66/46/46/869664646.db2.gz NTOOOWXDWPZMRV-UHFFFAOYSA-N 1 0 321.381 1.121 20 5 DDBDRO COCCC(=O)N[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001317071630 870198898 /nfs/dbraw/zinc/19/88/98/870198898.db2.gz ISOGWTPYXXFYQI-XYPYZODXSA-N 1 0 313.379 1.430 20 5 DDBDRO N=c1sc2c(n1-c1cc(Cl)cc([N+](=O)[O-])n1)CC[NH2+]C2 ZINC001166860369 870325147 /nfs/dbraw/zinc/32/51/47/870325147.db2.gz UYKNDIJROXTVRW-UHFFFAOYSA-N 1 0 311.754 1.621 20 5 DDBDRO [NH3+]C[C@H]1CN(c2nc(Cl)nc3ccc([N+](=O)[O-])cc32)CCO1 ZINC001166938077 870397675 /nfs/dbraw/zinc/39/76/75/870397675.db2.gz MGIPIGOZYUZQSY-VIFPVBQESA-N 1 0 323.740 1.355 20 5 DDBDRO COC(=O)c1cc(NC(=O)C[NH2+]C(C)(C)C)cc([N+](=O)[O-])c1 ZINC001339283270 870436710 /nfs/dbraw/zinc/43/67/10/870436710.db2.gz JHABWPAQMSUISF-UHFFFAOYSA-N 1 0 309.322 1.708 20 5 DDBDRO C[NH+](C)CC[C@@H]1CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC001303476720 871127503 /nfs/dbraw/zinc/12/75/03/871127503.db2.gz HNWXVWIBROBKAJ-SNVBAGLBSA-N 1 0 308.338 1.109 20 5 DDBDRO O=C(CC[NH2+]C1(CO)CCOCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC001307453323 871436576 /nfs/dbraw/zinc/43/65/76/871436576.db2.gz WIPYSPYXSSMWHH-UHFFFAOYSA-N 1 0 323.349 1.055 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CC[C@@H](c3ncccn3)C2)cc1 ZINC001308111073 871470867 /nfs/dbraw/zinc/47/08/67/871470867.db2.gz BMDWUSCEEIVSQE-UKRRQHHQSA-N 1 0 314.345 1.908 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H](C)[C@@H]1CN(C)CCN1C ZINC001308948983 871536402 /nfs/dbraw/zinc/53/64/02/871536402.db2.gz UWLVGWGTOVMINN-PBHICJAKSA-N 1 0 320.437 1.936 20 5 DDBDRO COc1cc(C(=O)N2CC[C@@H](CC[NH3+])C2)cc([N+](=O)[O-])c1C ZINC001341235173 871568445 /nfs/dbraw/zinc/56/84/45/871568445.db2.gz HWXDFDRPNHPUTL-LLVKDONJSA-N 1 0 307.350 1.723 20 5 DDBDRO CC(C)(C)[NH+]1CCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC1 ZINC001318168055 871791762 /nfs/dbraw/zinc/79/17/62/871791762.db2.gz XRERXXRBGJUAOK-UHFFFAOYSA-N 1 0 323.397 1.469 20 5 DDBDRO C[NH2+]CCCN(C)C(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC001341844238 871853972 /nfs/dbraw/zinc/85/39/72/871853972.db2.gz GGAHYRPKEDUKBW-UHFFFAOYSA-N 1 0 323.349 1.438 20 5 DDBDRO COc1cccc(C(=O)N2CC[C@@]3(C2)CCCC[NH2+]3)c1[N+](=O)[O-] ZINC001341981009 871930495 /nfs/dbraw/zinc/93/04/95/871930495.db2.gz HEBMWKRAVFKRDY-MRXNPFEDSA-N 1 0 319.361 1.962 20 5 DDBDRO O=C(CCc1cccc([N+](=O)[O-])c1)NCC[C@H]1CSCC[NH2+]1 ZINC001342003960 871945415 /nfs/dbraw/zinc/94/54/15/871945415.db2.gz CMWHRTHYZVKLAI-ZDUSSCGKSA-N 1 0 323.418 1.739 20 5 DDBDRO Cc1ccc(C(=O)N(C)C2(C[NH3+])CCOCC2)cc1[N+](=O)[O-] ZINC001342094680 872001031 /nfs/dbraw/zinc/00/10/31/872001031.db2.gz FBXUHLRLOMOOKD-UHFFFAOYSA-N 1 0 307.350 1.483 20 5 DDBDRO CCC[N@@H+]1CCCC[C@H]1C(=O)OCCn1cc([N+](=O)[O-])cn1 ZINC001318910737 872340376 /nfs/dbraw/zinc/34/03/76/872340376.db2.gz PGJCBERXCQFKIC-ZDUSSCGKSA-N 1 0 310.354 1.599 20 5 DDBDRO CSc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)cc1[N+](=O)[O-] ZINC001345514160 873426573 /nfs/dbraw/zinc/42/65/73/873426573.db2.gz VHOFRAHVEFGDFP-OUAUKWLOSA-N 1 0 307.375 1.939 20 5 DDBDRO C[C@@H]([NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])c1nnnn1C ZINC001207732614 873512447 /nfs/dbraw/zinc/51/24/47/873512447.db2.gz MEVZKIIHWBTRAQ-WDEREUQCSA-N 1 0 304.354 1.790 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CC(c3ccc(F)cc3)C2)c1 ZINC001347926522 874309848 /nfs/dbraw/zinc/30/98/48/874309848.db2.gz KWVNOBCANZBZDB-OAHLLOKOSA-N 1 0 320.324 1.391 20 5 DDBDRO CC[C@]1(C(=O)NCCNc2ccccc2[N+](=O)[O-])CC[NH2+]C1 ZINC001348941795 874886454 /nfs/dbraw/zinc/88/64/54/874886454.db2.gz MNJKEELFOTVPRF-HNNXBMFYSA-N 1 0 306.366 1.513 20 5 DDBDRO O=[N+]([O-])C[C@H](OC[C@@H]1CCC[NH2+]C1)c1ccc2c(c1)OCO2 ZINC001217912220 877353439 /nfs/dbraw/zinc/35/34/39/877353439.db2.gz HSVIZFGJGJESEY-ABAIWWIYSA-N 1 0 308.334 1.749 20 5 DDBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H](O)COC1CCOCC1 ZINC001356534106 879091369 /nfs/dbraw/zinc/09/13/69/879091369.db2.gz WJGXEFYZFUGXML-CYBMUJFWSA-N 1 0 310.350 1.241 20 5 DDBDRO O=C(NCc1cccc([N+](=O)[O-])c1)C1(C2CC[NH2+]CC2)CC1 ZINC001357182848 879844005 /nfs/dbraw/zinc/84/40/05/879844005.db2.gz ISQMHCTVRFTYHC-UHFFFAOYSA-N 1 0 303.362 1.991 20 5 DDBDRO C[C@@H](CNC(=O)C[C@@H]1CSCC[NH2+]1)c1ccccc1[N+](=O)[O-] ZINC001358388260 880418723 /nfs/dbraw/zinc/41/87/23/880418723.db2.gz JDTYKPKMAKGJDE-NWDGAFQWSA-N 1 0 323.418 1.910 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)NC1(C2CC[NH2+]CC2)CC1 ZINC001358447093 880435621 /nfs/dbraw/zinc/43/56/21/880435621.db2.gz HMFQVELMQSDGCD-UHFFFAOYSA-N 1 0 319.361 1.622 20 5 DDBDRO COC(=O)c1ccc(C)cc1COC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001224200664 881271429 /nfs/dbraw/zinc/27/14/29/881271429.db2.gz XHMPVNUKSHRKQX-CQSZACIVSA-N 1 0 324.397 1.282 20 5 DDBDRO CC(=O)CCc1ccc(O)c(OC(=O)C[C@@H](O)C[N+](C)(C)C)c1 ZINC001230393000 884464940 /nfs/dbraw/zinc/46/49/40/884464940.db2.gz ZVVIVBVHBWNFPE-CQSZACIVSA-O 1 0 324.397 1.276 20 5 DDBDRO COc1cc(C)cc(OC)c1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001230429619 884487543 /nfs/dbraw/zinc/48/75/43/884487543.db2.gz MVXFXQQQSVGONC-GFCCVEGCSA-N 1 0 312.386 1.375 20 5 DDBDRO Cc1ccc(C)c([N+](=O)[O-])c1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001231059417 885171030 /nfs/dbraw/zinc/17/10/30/885171030.db2.gz HWIJFGZEVZABNN-GFCCVEGCSA-N 1 0 311.358 1.574 20 5 DDBDRO C[N@@H+]1CCC[C@@H](Oc2cc(N3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC001234359573 887905045 /nfs/dbraw/zinc/90/50/45/887905045.db2.gz HPPAAPYADBUSIH-CQSZACIVSA-N 1 0 321.377 1.904 20 5 DDBDRO O=C1CCNC[C@H]1[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001246297300 892522509 /nfs/dbraw/zinc/52/25/09/892522509.db2.gz YZHHXQSTXOOHKA-UKRRQHHQSA-N 1 0 303.362 1.363 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2C[C@@H]3C[NH2+]C[C@@H]32)c1F ZINC001246916631 892986181 /nfs/dbraw/zinc/98/61/81/892986181.db2.gz JABNKXYMNQDGAB-KWBADKCTSA-N 1 0 309.341 1.577 20 5 DDBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@@H]2C[NH2+]C[C@H](F)C2)n1 ZINC001247781531 893368803 /nfs/dbraw/zinc/36/88/03/893368803.db2.gz JSQNLGYTRVLYKI-NKWVEPMBSA-N 1 0 311.248 1.594 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1(N2CCCC2)COC1 ZINC001254538210 896494579 /nfs/dbraw/zinc/49/45/79/896494579.db2.gz RJQDKYSNXQAJHY-CQSZACIVSA-N 1 0 319.405 1.980 20 5 DDBDRO C[NH+](C)C[C@H]1CN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCO1 ZINC001254593159 896520802 /nfs/dbraw/zinc/52/08/02/896520802.db2.gz JOYLAIHKOCGSSM-CVEARBPZSA-N 1 0 305.378 1.324 20 5 DDBDRO COC(=O)[C@H]1[C@@H]2C[N@H+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C[C@@H]21 ZINC001254602788 896526766 /nfs/dbraw/zinc/52/67/66/896526766.db2.gz IXOHNAJWGJBWEP-BYNSBNAKSA-N 1 0 302.330 1.413 20 5 DDBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001261930466 899833489 /nfs/dbraw/zinc/83/34/89/899833489.db2.gz FOGSMMGTFHWSNE-CQSZACIVSA-N 1 0 304.350 1.714 20 5 DDBDRO [NH3+]C[C@]12CC[C@@H]1CCCN2C(=O)COc1ccccc1[N+](=O)[O-] ZINC001263237916 900543373 /nfs/dbraw/zinc/54/33/73/900543373.db2.gz WROJBZQSVMHMFD-BLLLJJGKSA-N 1 0 319.361 1.704 20 5 DDBDRO CCCCC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001282965071 906349666 /nfs/dbraw/zinc/34/96/66/906349666.db2.gz OJTUXWJPKUIHNT-ZIAGYGMSSA-N 1 0 309.410 1.766 20 5 DDBDRO COC[C@@H](C)OC[C@H](O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000278513726 214202784 /nfs/dbraw/zinc/20/27/84/214202784.db2.gz FJLDQMLXMSZKAJ-TZMCWYRMSA-N 1 0 312.366 1.439 20 5 DDBDRO CC[C@@H]1C[N@H+](CC)CCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000451741336 529388631 /nfs/dbraw/zinc/38/86/31/529388631.db2.gz OFSZVRMVGBKRGG-CYBMUJFWSA-N 1 0 308.382 1.173 20 5 DDBDRO CC(C)(C)[C@H](CO)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000278643477 214297967 /nfs/dbraw/zinc/29/79/67/214297967.db2.gz HBYZYSOVDHQBFM-FZMZJTMJSA-N 1 0 312.366 1.331 20 5 DDBDRO COc1cc(C(=O)N2CC[NH+]3CCC2CC3)c([N+](=O)[O-])cc1F ZINC000451099750 231009140 /nfs/dbraw/zinc/00/91/40/231009140.db2.gz NGWQVAWCKLCQAY-UHFFFAOYSA-N 1 0 323.324 1.663 20 5 DDBDRO C[C@@]12C[N@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000451378526 231081308 /nfs/dbraw/zinc/08/13/08/231081308.db2.gz YCSRAVJDXLUOAI-MLEONAHRSA-N 1 0 318.377 1.296 20 5 DDBDRO CC[C@@H]1[C@@H](CO)CC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000451248531 529481383 /nfs/dbraw/zinc/48/13/83/529481383.db2.gz DEGIQWNYCRFFRP-XNRPHZJLSA-N 1 0 324.377 1.427 20 5 DDBDRO CC[C@@]1(O)CC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000495197628 529576670 /nfs/dbraw/zinc/57/66/70/529576670.db2.gz YJPOVWAXXCQHNF-GDBMZVCRSA-N 1 0 319.361 1.547 20 5 DDBDRO COC[C@H](C)OC[C@@H](O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000278215831 214027458 /nfs/dbraw/zinc/02/74/58/214027458.db2.gz DMUSHDAZGROOJD-HUBLWGQQSA-N 1 0 312.366 1.658 20 5 DDBDRO CC(C)CO[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090552305 185303024 /nfs/dbraw/zinc/30/30/24/185303024.db2.gz ZWIAVYVWMGIOGR-CQSZACIVSA-N 1 0 309.366 1.503 20 5 DDBDRO CCc1ccc(OC[C@H](O)CN2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000414143222 529695419 /nfs/dbraw/zinc/69/54/19/529695419.db2.gz INJNCXOXDVRIGJ-CQSZACIVSA-N 1 0 323.393 1.144 20 5 DDBDRO CC1(C)CN(C/C=C\c2ccccc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000615140538 362170169 /nfs/dbraw/zinc/17/01/69/362170169.db2.gz VUUORYIRWNUDOA-ALCCZGGFSA-N 1 0 319.405 1.997 20 5 DDBDRO Cc1ccc(CN2CC[N@H+](CCO)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000615140433 362170310 /nfs/dbraw/zinc/17/03/10/362170310.db2.gz JXVUGBFZUWARTD-UHFFFAOYSA-N 1 0 307.394 1.792 20 5 DDBDRO C[NH+](C)C[C@@](C)(O)CNC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000255492422 282259878 /nfs/dbraw/zinc/25/98/78/282259878.db2.gz WCBCRDSLQQTCLR-LZNQSLFOSA-N 1 0 307.350 1.037 20 5 DDBDRO Cc1nn(CCC(=O)N(C)CC[NH+]2CCCC2)c(C)c1[N+](=O)[O-] ZINC000103116569 185432922 /nfs/dbraw/zinc/43/29/22/185432922.db2.gz VJTGRJVRYOQLMB-UHFFFAOYSA-N 1 0 323.397 1.352 20 5 DDBDRO C[N@@H+]1CCC[C@@H](CCNC(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000458222728 530054691 /nfs/dbraw/zinc/05/46/91/530054691.db2.gz QMTTYOJKTGTPRR-NSHDSACASA-N 1 0 306.366 1.639 20 5 DDBDRO COc1cc(C[NH2+]CCN2CC=CCC2)c([N+](=O)[O-])cc1OC ZINC000279621659 215012464 /nfs/dbraw/zinc/01/24/64/215012464.db2.gz AWEZEBZBFZDKJR-UHFFFAOYSA-N 1 0 321.377 1.964 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3F)[C@@H]2C1 ZINC000272635809 210037550 /nfs/dbraw/zinc/03/75/50/210037550.db2.gz NRQJBUXITCRVNH-QMTHXVAHSA-N 1 0 307.325 1.900 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H]([C@@H](C)O)C1 ZINC000272609432 210008365 /nfs/dbraw/zinc/00/83/65/210008365.db2.gz SDKVKSJVSJUMLD-CHWSQXEVSA-N 1 0 321.377 1.935 20 5 DDBDRO O=C(N[C@H]1CC[NH2+]C1)c1ccc([N+](=O)[O-])cc1Br ZINC000126943855 185906125 /nfs/dbraw/zinc/90/61/25/185906125.db2.gz QQMIEUJMXRAFRN-ZETCQYMHSA-N 1 0 314.139 1.449 20 5 DDBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)NCC[N@H+]1CC=CCC1 ZINC000280039348 215331754 /nfs/dbraw/zinc/33/17/54/215331754.db2.gz WPJFDDBWKVSGHD-UHFFFAOYSA-N 1 0 318.377 1.698 20 5 DDBDRO CC1(C)CC[C@H](C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)O1 ZINC000564874358 304022186 /nfs/dbraw/zinc/02/21/86/304022186.db2.gz YTIYCHPTVUZRES-DZGCQCFKSA-N 1 0 324.377 1.882 20 5 DDBDRO Cc1nn(C)c(C(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000489329047 233936882 /nfs/dbraw/zinc/93/68/82/233936882.db2.gz NNAFKHSEWHBWFH-LLVKDONJSA-N 1 0 309.370 1.049 20 5 DDBDRO Nc1ccc(C(=O)NCCCC[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000053449609 352656407 /nfs/dbraw/zinc/65/64/07/352656407.db2.gz WINYNLXFMKZWDW-UHFFFAOYSA-N 1 0 322.365 1.019 20 5 DDBDRO C[N@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C1CCC1 ZINC000072722142 191221879 /nfs/dbraw/zinc/22/18/79/191221879.db2.gz IQAQJEOHZAIZCE-UHFFFAOYSA-N 1 0 307.306 1.746 20 5 DDBDRO C[C@@H](CNC(=O)CN(C)c1ccccc1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000173035840 198179697 /nfs/dbraw/zinc/17/96/97/198179697.db2.gz DCMLURFGFIHLTE-LBPRGKRZSA-N 1 0 320.393 1.630 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000057553460 352820476 /nfs/dbraw/zinc/82/04/76/352820476.db2.gz BAWATORFZUOABX-LLVKDONJSA-N 1 0 305.334 1.327 20 5 DDBDRO C[C@@H](CNC(=O)CCNc1ccccc1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000057713379 352826182 /nfs/dbraw/zinc/82/61/82/352826182.db2.gz UXFKKSOWYPLXEK-LBPRGKRZSA-N 1 0 320.393 1.996 20 5 DDBDRO CC[NH+]1CCC(NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000063680581 352919071 /nfs/dbraw/zinc/91/90/71/352919071.db2.gz ZUZGDRPKYMFIOE-UHFFFAOYSA-N 1 0 310.329 1.530 20 5 DDBDRO C[C@@H]([NH2+]CCOCCS(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000173444192 198216006 /nfs/dbraw/zinc/21/60/06/198216006.db2.gz VABBPLKZTDUUJO-LLVKDONJSA-N 1 0 316.379 1.307 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000068467972 353113534 /nfs/dbraw/zinc/11/35/34/353113534.db2.gz OLLRHFQKBNCBLT-UHFFFAOYSA-N 1 0 323.397 1.433 20 5 DDBDRO COc1ccc(CC(=O)N[C@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000069397355 353160175 /nfs/dbraw/zinc/16/01/75/353160175.db2.gz XHXSNAHXZAJCCI-LBPRGKRZSA-N 1 0 319.361 1.499 20 5 DDBDRO Cc1c(C(=O)NCC2([NH+](C)C)CCOCC2)cccc1[N+](=O)[O-] ZINC000073133355 353239975 /nfs/dbraw/zinc/23/99/75/353239975.db2.gz OKJLYWNSWPILSE-UHFFFAOYSA-N 1 0 321.377 1.744 20 5 DDBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000174530686 198348145 /nfs/dbraw/zinc/34/81/45/198348145.db2.gz DVLPVZRDZMXOQH-SNVBAGLBSA-N 1 0 324.356 1.730 20 5 DDBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+][C@H]1COC[C@H]1O ZINC000601291509 358480147 /nfs/dbraw/zinc/48/01/47/358480147.db2.gz KZIZCKWLRDYPBH-AOLWHUPESA-N 1 0 306.362 1.655 20 5 DDBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1COC[C@@H]1O ZINC000601292054 358481324 /nfs/dbraw/zinc/48/13/24/358481324.db2.gz QHEBJQCMLXXVOP-LOWVWBTDSA-N 1 0 312.391 1.815 20 5 DDBDRO CC[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CCCO1 ZINC000248622938 354369638 /nfs/dbraw/zinc/36/96/38/354369638.db2.gz UFRXLSMVXMZHOZ-KBMXLJTQSA-N 1 0 324.377 1.882 20 5 DDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)C[C@@H](O)C1CC1 ZINC000305730646 354471271 /nfs/dbraw/zinc/47/12/71/354471271.db2.gz KIYQMCRENGQLKC-QMTHXVAHSA-N 1 0 307.350 1.625 20 5 DDBDRO CNc1ccc(C(=O)N2CC[C@@H]([NH+](C)C)[C@H]2C)cc1[N+](=O)[O-] ZINC000320273371 354526533 /nfs/dbraw/zinc/52/65/33/354526533.db2.gz YUTKUHPXPXVTAT-ZWNOBZJWSA-N 1 0 306.366 1.801 20 5 DDBDRO CC[N@H+](C)C[C@@H](O)COc1ccc([N+](=O)[O-])c2ncccc12 ZINC000320555841 354527997 /nfs/dbraw/zinc/52/79/97/354527997.db2.gz KMCGRARFCWNMID-LLVKDONJSA-N 1 0 305.334 1.834 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]1CC[NH2+][C@H](C)C1 ZINC000358687806 299220731 /nfs/dbraw/zinc/22/07/31/299220731.db2.gz JWTXFXJBYSIPQX-MNOVXSKESA-N 1 0 307.350 1.608 20 5 DDBDRO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC[C@H]1[NH3+] ZINC000584778887 354766470 /nfs/dbraw/zinc/76/64/70/354766470.db2.gz DGUJLINMNJYMFD-ZWNOBZJWSA-N 1 0 314.345 1.952 20 5 DDBDRO C[C@H](CC[NH+](C)C)Nc1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C ZINC000587535515 354883528 /nfs/dbraw/zinc/88/35/28/354883528.db2.gz YXXKLWUVYNKDKI-SNVBAGLBSA-N 1 0 321.381 1.537 20 5 DDBDRO C[C@@H](CNc1cc(N)c([N+](=O)[O-])c(CO)c1)C[NH+]1CCCC1 ZINC000587352989 354881818 /nfs/dbraw/zinc/88/18/18/354881818.db2.gz GZJFMFBPPVMGPT-NSHDSACASA-N 1 0 308.382 1.813 20 5 DDBDRO CCc1nn(C)c(NCCCN2CCC[N@H+](C)CC2)c1[N+](=O)[O-] ZINC000588815893 354938734 /nfs/dbraw/zinc/93/87/34/354938734.db2.gz FKGYGWWUNIIJCZ-UHFFFAOYSA-N 1 0 324.429 1.330 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@]1(C)CCO[C@H]1C ZINC000494226100 235008817 /nfs/dbraw/zinc/00/88/17/235008817.db2.gz FOVWWFZEIGOMDJ-XHDPSFHLSA-N 1 0 307.350 1.999 20 5 DDBDRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000590566854 355114944 /nfs/dbraw/zinc/11/49/44/355114944.db2.gz QMQKTLJEKPQEHH-QWHCGFSZSA-N 1 0 320.393 1.582 20 5 DDBDRO C[NH+]1CCC2(CCN(c3ncc([N+](=O)[O-])cc3C(N)=O)C2)CC1 ZINC000590568059 355115957 /nfs/dbraw/zinc/11/59/57/355115957.db2.gz WGJJEOWCRAUILC-UHFFFAOYSA-N 1 0 319.365 1.011 20 5 DDBDRO COc1cc(C(=O)N[C@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])cc1F ZINC000590631952 355134653 /nfs/dbraw/zinc/13/46/53/355134653.db2.gz LCDCKRZXBDGCBG-VIFPVBQESA-N 1 0 311.313 1.567 20 5 DDBDRO C[C@H]1CC(=O)NCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000591022125 355233848 /nfs/dbraw/zinc/23/38/48/355233848.db2.gz UFZIZBPALZJYAS-NSHDSACASA-N 1 0 320.349 1.134 20 5 DDBDRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000591344136 355293601 /nfs/dbraw/zinc/29/36/01/355293601.db2.gz JXMGJNJITJPWCT-SUNKGSAMSA-N 1 0 322.365 1.413 20 5 DDBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000591348006 355294542 /nfs/dbraw/zinc/29/45/42/355294542.db2.gz RPKDYFYKHKWDLU-HZSPNIEDSA-N 1 0 318.377 1.782 20 5 DDBDRO NC(=O)CC1(C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000591503855 355322041 /nfs/dbraw/zinc/32/20/41/355322041.db2.gz WRFYFRXQDDRJFM-UHFFFAOYSA-N 1 0 321.333 1.111 20 5 DDBDRO CNc1ccc(C(=O)N[C@H](C[NH3+])C2CCCC2)cc1[N+](=O)[O-] ZINC000591586709 355330839 /nfs/dbraw/zinc/33/08/39/355330839.db2.gz MLCSXZVXLHAJJK-CYBMUJFWSA-N 1 0 306.366 1.884 20 5 DDBDRO Cc1cnccc1C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000591761408 355379586 /nfs/dbraw/zinc/37/95/86/355379586.db2.gz ICZQAEYUUWQZDL-OAHLLOKOSA-N 1 0 317.345 1.828 20 5 DDBDRO CCN(CCC[NH+]1CCCC1)c1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000591824080 355391214 /nfs/dbraw/zinc/39/12/14/355391214.db2.gz XIWRJTHMDCBBJZ-UHFFFAOYSA-N 1 0 322.409 1.982 20 5 DDBDRO CC1(C)C[NH2+]CCN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000591678341 355359883 /nfs/dbraw/zinc/35/98/83/355359883.db2.gz PHKNQBMIQIPHRU-UHFFFAOYSA-N 1 0 303.322 1.295 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)n1 ZINC000591893111 355414736 /nfs/dbraw/zinc/41/47/36/355414736.db2.gz SWDNBBAXUYUAPQ-RYUDHWBXSA-N 1 0 321.381 1.415 20 5 DDBDRO Cc1cc(N2CCOC3(CC[NH+](C)CC3)C2)ncc1[N+](=O)[O-] ZINC000591992572 355455854 /nfs/dbraw/zinc/45/58/54/355455854.db2.gz QGECFOYGJXHNQC-UHFFFAOYSA-N 1 0 306.366 1.599 20 5 DDBDRO O=C(CC[C@@H]1CCC[NH2+]1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000592277611 355551575 /nfs/dbraw/zinc/55/15/75/355551575.db2.gz WGIUQUKSMGOJQF-LBPRGKRZSA-N 1 0 321.381 1.487 20 5 DDBDRO O=[N+]([O-])c1cc2c(cc1CN1CC[C@@H]3CC[NH2+][C@H]3C1)OCCO2 ZINC000592432804 355583167 /nfs/dbraw/zinc/58/31/67/355583167.db2.gz UEWICQWKMHJZHH-AAEUAGOBSA-N 1 0 319.361 1.550 20 5 DDBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000592475268 355593452 /nfs/dbraw/zinc/59/34/52/355593452.db2.gz GFJCZWOLKMRALP-LRDDRELGSA-N 1 0 323.393 1.930 20 5 DDBDRO CC[C@@H]1CN([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000592489416 355597809 /nfs/dbraw/zinc/59/78/09/355597809.db2.gz VDPGKZJUSSPGBV-XQQFMLRXSA-N 1 0 320.393 1.981 20 5 DDBDRO CCc1ccc(S(=O)(=O)N2CC[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000592367088 355568665 /nfs/dbraw/zinc/56/86/65/355568665.db2.gz NQKVUPKAWMTZHG-JTQLQIEISA-N 1 0 313.379 1.127 20 5 DDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)s1 ZINC000592381268 355571338 /nfs/dbraw/zinc/57/13/38/355571338.db2.gz DLFAWDAAFDLHRH-BDAKNGLRSA-N 1 0 317.392 1.029 20 5 DDBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000592393989 355573934 /nfs/dbraw/zinc/57/39/34/355573934.db2.gz LZIHODHDJQGQQE-IUCAKERBSA-N 1 0 317.367 1.008 20 5 DDBDRO O=C(Cn1cc([N+](=O)[O-])cn1)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592555308 355627226 /nfs/dbraw/zinc/62/72/26/355627226.db2.gz XALJZNUKQPKQJG-CHWSQXEVSA-N 1 0 321.381 1.030 20 5 DDBDRO O=C([C@H]1C[NH2+]CCO1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000592966002 355757005 /nfs/dbraw/zinc/75/70/05/355757005.db2.gz OUGMZCVHSGDEFZ-CQSZACIVSA-N 1 0 305.334 1.074 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[N@H+](C)CC2(C)C)c1 ZINC000593020624 355771628 /nfs/dbraw/zinc/77/16/28/355771628.db2.gz NOFLHHYOOWLCRJ-UHFFFAOYSA-N 1 0 321.377 1.907 20 5 DDBDRO C[N@@H+]1CCC[C@@H](CNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000593454271 355889388 /nfs/dbraw/zinc/88/93/88/355889388.db2.gz HCVOQSPUFQHIRA-NSHDSACASA-N 1 0 309.341 1.734 20 5 DDBDRO C[C@H]1CCCN(C(=O)COc2ccccc2[N+](=O)[O-])[C@@H]1CC[NH3+] ZINC000593914183 356057339 /nfs/dbraw/zinc/05/73/39/356057339.db2.gz ANBTZZROVDMOEY-QWHCGFSZSA-N 1 0 321.377 1.950 20 5 DDBDRO CC(C)OC(=O)C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)C(C)C ZINC000594042475 356097135 /nfs/dbraw/zinc/09/71/35/356097135.db2.gz FMWRECFGGIHJFY-CYBMUJFWSA-N 1 0 312.370 1.747 20 5 DDBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000594434296 356211898 /nfs/dbraw/zinc/21/18/98/356211898.db2.gz MVKYITNWFCTLIL-GDBMZVCRSA-N 1 0 319.361 1.480 20 5 DDBDRO O=[N+]([O-])c1ccc2ccnc(N3CC[N@@H+]4C[C@H](O)C[C@H]4C3)c2c1 ZINC000594603877 356262726 /nfs/dbraw/zinc/26/27/26/356262726.db2.gz OJBQRGQCELYUBO-UONOGXRCSA-N 1 0 314.345 1.398 20 5 DDBDRO O=[N+]([O-])c1cc(Cl)ccc1-n1cc(CN2CC[NH2+]CC2)nn1 ZINC000594653574 356276162 /nfs/dbraw/zinc/27/61/62/356276162.db2.gz QXSFSYJAXCQCOG-UHFFFAOYSA-N 1 0 322.756 1.234 20 5 DDBDRO COc1cc(C[NH2+]C[C@@](C)(CO)OC)c([N+](=O)[O-])cc1OC ZINC000594508931 356239441 /nfs/dbraw/zinc/23/94/41/356239441.db2.gz DWICXRKUDCKZOX-AWEZNQCLSA-N 1 0 314.338 1.099 20 5 DDBDRO Cc1cc(C)cc(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000594716747 356294526 /nfs/dbraw/zinc/29/45/26/356294526.db2.gz VEEPBMGMXILNGO-OAHLLOKOSA-N 1 0 304.350 1.559 20 5 DDBDRO COC[C@H](CC[NH2+]Cc1cc(OC)c(O)cc1[N+](=O)[O-])OC ZINC000594954324 356363885 /nfs/dbraw/zinc/36/38/85/356363885.db2.gz FRCCAJGRDABVRI-NSHDSACASA-N 1 0 314.338 1.450 20 5 DDBDRO O=C1NCC[C@@H]1NCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000594964184 356365064 /nfs/dbraw/zinc/36/50/64/356365064.db2.gz PLPJWGAOTIBTGQ-LBPRGKRZSA-N 1 0 301.302 1.833 20 5 DDBDRO CCn1cc(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)nn1 ZINC000595066585 356378241 /nfs/dbraw/zinc/37/82/41/356378241.db2.gz AYGIISWFURAKIJ-CHWSQXEVSA-N 1 0 319.369 1.676 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCCS(C)(=O)=O ZINC000595010278 356371550 /nfs/dbraw/zinc/37/15/50/356371550.db2.gz GBHSKWGUALQBPK-JTQLQIEISA-N 1 0 316.379 1.689 20 5 DDBDRO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000595224422 356411393 /nfs/dbraw/zinc/41/13/93/356411393.db2.gz GFXODUBAJSJORQ-RISCZKNCSA-N 1 0 306.366 1.917 20 5 DDBDRO C[NH2+]C[C@@H](C)NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000595274810 356428873 /nfs/dbraw/zinc/42/88/73/356428873.db2.gz AFOYBOJJCTWCFF-LLVKDONJSA-N 1 0 306.366 1.877 20 5 DDBDRO CO[C@@H](CN1CCc2ncc([N+](=O)[O-])cc2C1)[C@H]1CCOC1 ZINC000595423138 356486189 /nfs/dbraw/zinc/48/61/89/356486189.db2.gz JNELLYZVTAEFPK-NHYWBVRUSA-N 1 0 307.350 1.399 20 5 DDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H](C)c1nccn1C ZINC000595382005 356473251 /nfs/dbraw/zinc/47/32/51/356473251.db2.gz BAZVBGDFDHOOIC-SNVBAGLBSA-N 1 0 324.362 1.676 20 5 DDBDRO Cc1noc(CN2CCSC3(CCOCC3)C2)c1[N+](=O)[O-] ZINC000595440635 356493632 /nfs/dbraw/zinc/49/36/32/356493632.db2.gz PWIGADWWTOTUMM-UHFFFAOYSA-N 1 0 313.379 1.989 20 5 DDBDRO C[NH2+]C[C@@H]1CCN(Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000347113934 283182975 /nfs/dbraw/zinc/18/29/75/283182975.db2.gz SQLKGQHINVFXJD-NSHDSACASA-N 1 0 309.366 1.653 20 5 DDBDRO C[C@H](CO)[C@H]1CCCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000595679779 356607876 /nfs/dbraw/zinc/60/78/76/356607876.db2.gz YCZWQXSMSAQCKQ-BXUZGUMPSA-N 1 0 321.377 1.677 20 5 DDBDRO CCOc1cc(C[N@H+](C)C[C@@H]2COCCO2)ccc1[N+](=O)[O-] ZINC000595736582 356628089 /nfs/dbraw/zinc/62/80/89/356628089.db2.gz MSGBRJPSGQBOEQ-CYBMUJFWSA-N 1 0 310.350 1.841 20 5 DDBDRO C[C@@H](O)[C@H]1CCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000595771469 356645943 /nfs/dbraw/zinc/64/59/43/356645943.db2.gz PJEUYFDCULYJAL-OSAQELSMSA-N 1 0 310.350 1.180 20 5 DDBDRO C[C@H]([NH2+][C@H]1C[C@@H](O)C12CCC2)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000595783626 356650674 /nfs/dbraw/zinc/65/06/74/356650674.db2.gz SIQRHYQFYJEKIE-LEWSCRJBSA-N 1 0 319.361 1.815 20 5 DDBDRO C[C@@]12COC[C@H]1C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC000595759873 356641153 /nfs/dbraw/zinc/64/11/53/356641153.db2.gz QLCVJRQXWFAFMZ-MLGOLLRUSA-N 1 0 319.361 1.892 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2C[C@H]3COC[C@@]3(C)C2)c1 ZINC000595761077 356641898 /nfs/dbraw/zinc/64/18/98/356641898.db2.gz WNUKVDSDRIPXAG-XJKSGUPXSA-N 1 0 320.345 1.850 20 5 DDBDRO CC[NH2+]CC1CCN(C(=O)c2cc(C)cc([N+](=O)[O-])c2N)CC1 ZINC000237034779 202129965 /nfs/dbraw/zinc/12/99/65/202129965.db2.gz FVFZJJYPRBQCLT-UHFFFAOYSA-N 1 0 320.393 1.947 20 5 DDBDRO O=[N+]([O-])c1ccc(CCN2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000595867569 356684892 /nfs/dbraw/zinc/68/48/92/356684892.db2.gz OUZSTERCCBGRBX-KRWDZBQOSA-N 1 0 319.405 1.668 20 5 DDBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC2CC1(C[NH3+])C2 ZINC000595910323 356701572 /nfs/dbraw/zinc/70/15/72/356701572.db2.gz OVJMMUGTAUEFPM-NLTNOIMHSA-N 1 0 304.350 1.345 20 5 DDBDRO Cc1c(NC(=O)[C@H](C)N2CC3CC2(C[NH3+])C3)cccc1[N+](=O)[O-] ZINC000595908441 356701791 /nfs/dbraw/zinc/70/17/91/356701791.db2.gz IHIPAHJPYWFXCD-FZWSLVFFSA-N 1 0 318.377 1.653 20 5 DDBDRO CN(CCOc1ccc([N+](=O)[O-])cc1)[C@H](C[NH3+])C(F)(F)F ZINC000595909229 356701805 /nfs/dbraw/zinc/70/18/05/356701805.db2.gz QSKOWMWMKYHKAE-LLVKDONJSA-N 1 0 307.272 1.795 20 5 DDBDRO CC[C@H]([NH2+]C)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000595929139 356708533 /nfs/dbraw/zinc/70/85/33/356708533.db2.gz WIXZCRNRBLDCFK-HNNXBMFYSA-N 1 0 321.377 1.963 20 5 DDBDRO C[C@H]1CCCN(c2ccc(C(=O)NCC[NH3+])cc2[N+](=O)[O-])C1 ZINC000347508655 283218961 /nfs/dbraw/zinc/21/89/61/283218961.db2.gz ZRQUHUJXPCNMAK-NSHDSACASA-N 1 0 306.366 1.520 20 5 DDBDRO CC(C)(C)O[C@H]1C[C@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000596070244 356761178 /nfs/dbraw/zinc/76/11/78/356761178.db2.gz PJZSTBYMTHDRIA-DRZSPHRISA-N 1 0 312.370 1.088 20 5 DDBDRO NC(=O)c1cc(N[C@H]2CC[N@@H+]3CCCC[C@@H]23)ccc1[N+](=O)[O-] ZINC000596074493 356762561 /nfs/dbraw/zinc/76/25/61/356762561.db2.gz AZGODRKAXQHARE-JSGCOSHPSA-N 1 0 304.350 1.732 20 5 DDBDRO NC(=O)c1cc(N2CC[NH+](C3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000596073257 356762834 /nfs/dbraw/zinc/76/28/34/356762834.db2.gz JQZQTWHONRBYJR-UHFFFAOYSA-N 1 0 318.377 1.758 20 5 DDBDRO CC[N@@H+]1CCC[C@@H](CNc2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596094037 356769638 /nfs/dbraw/zinc/76/96/38/356769638.db2.gz HFGMNVJPRANCOI-NSHDSACASA-N 1 0 306.366 1.838 20 5 DDBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596163185 356797869 /nfs/dbraw/zinc/79/78/69/356797869.db2.gz QDQGZGPQBRBEEW-ZANVPECISA-N 1 0 304.350 1.588 20 5 DDBDRO NC(=O)c1cc(NCC23CCC[NH+]2CCC3)ccc1[N+](=O)[O-] ZINC000596216328 356818306 /nfs/dbraw/zinc/81/83/06/356818306.db2.gz HLFWXCZELQKLHM-UHFFFAOYSA-N 1 0 304.350 1.734 20 5 DDBDRO C[NH+](C)C[C@H](CO)Nc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000596242939 356829540 /nfs/dbraw/zinc/82/95/40/356829540.db2.gz GNURUDXNVMQNKG-SSDOTTSWSA-N 1 0 308.260 1.343 20 5 DDBDRO CC(C)(C)[N@@H+]1CC[C@H](Nc2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000596336605 356860035 /nfs/dbraw/zinc/86/00/35/356860035.db2.gz QOKRCLBIWHKDKU-VIFPVBQESA-N 1 0 307.354 1.373 20 5 DDBDRO CC(C)(CNC(=O)Cn1ccc([N+](=O)[O-])n1)C[NH+]1CCCC1 ZINC000276882509 213153382 /nfs/dbraw/zinc/15/33/82/213153382.db2.gz PNMJBDQAMLPFFL-UHFFFAOYSA-N 1 0 309.370 1.030 20 5 DDBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000597700964 357292273 /nfs/dbraw/zinc/29/22/73/357292273.db2.gz PMFMLISIKZXKPU-ONGXEEELSA-N 1 0 321.333 1.488 20 5 DDBDRO Cc1n[nH]c(C(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000597854858 357358932 /nfs/dbraw/zinc/35/89/32/357358932.db2.gz NQTVKNAOBPXMIY-SNVBAGLBSA-N 1 0 309.370 1.477 20 5 DDBDRO [NH3+]C[C@H]1CCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000178559869 198887795 /nfs/dbraw/zinc/88/77/95/198887795.db2.gz SEKOGDFOMHSUDS-LLVKDONJSA-N 1 0 315.333 1.201 20 5 DDBDRO Cc1cc(NCCC[N@@H+]2CCC[C@H]2C(N)=O)c([N+](=O)[O-])s1 ZINC000599131109 357824300 /nfs/dbraw/zinc/82/43/00/357824300.db2.gz QQWIWSVQZIOATN-NSHDSACASA-N 1 0 312.395 1.716 20 5 DDBDRO C[C@@H]1[NH2+]CC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000599111012 357819219 /nfs/dbraw/zinc/81/92/19/357819219.db2.gz VYYFNQVVWAXLAW-OIBJUYFYSA-N 1 0 319.770 1.277 20 5 DDBDRO C[NH2+]CCOCCN(C)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000599601163 357988581 /nfs/dbraw/zinc/98/85/81/357988581.db2.gz JFINGDWJRRHOHE-UHFFFAOYSA-N 1 0 324.381 1.911 20 5 DDBDRO C[C@]1(CO)C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@@]1(C)CO ZINC000599622315 357995709 /nfs/dbraw/zinc/99/57/09/357995709.db2.gz DRZNZHUGNUTMJB-IYBDPMFKSA-N 1 0 324.377 1.286 20 5 DDBDRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000599922144 358081901 /nfs/dbraw/zinc/08/19/01/358081901.db2.gz ZSWZUNVOOFOCCJ-UONOGXRCSA-N 1 0 306.366 1.577 20 5 DDBDRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)COc3ccccc3[N+](=O)[O-])C[C@@H]12 ZINC000185155300 199816811 /nfs/dbraw/zinc/81/68/11/199816811.db2.gz ZFGGMUVZNQRZTM-QJPTWQEYSA-N 1 0 305.334 1.169 20 5 DDBDRO C[NH2+]CC1CCN(C(=O)c2cc(OC)ccc2[N+](=O)[O-])CC1 ZINC000237348777 202239494 /nfs/dbraw/zinc/23/94/94/202239494.db2.gz RTWGGFDCZMVFDM-UHFFFAOYSA-N 1 0 307.350 1.675 20 5 DDBDRO C[C@@H](C[NH3+])CNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000237326119 202231450 /nfs/dbraw/zinc/23/14/50/202231450.db2.gz GWLHCAJFXAOFGE-VIFPVBQESA-N 1 0 315.757 1.728 20 5 DDBDRO CCOc1ccc(NC(=O)CN(CC)CC[NH3+])c([N+](=O)[O-])c1 ZINC000600716320 358292905 /nfs/dbraw/zinc/29/29/05/358292905.db2.gz JUIRORJRPCWLKL-UHFFFAOYSA-N 1 0 310.354 1.213 20 5 DDBDRO C[NH2+]CCOCCN(C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000600724518 358297316 /nfs/dbraw/zinc/29/73/16/358297316.db2.gz AQCWKLTXSKZKEB-UHFFFAOYSA-N 1 0 301.774 1.916 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H]1CO[C@@H](C2CC2)C1 ZINC000600759496 358309608 /nfs/dbraw/zinc/30/96/08/358309608.db2.gz ZNVKKOGIDTZNNF-XJKCOSOUSA-N 1 0 322.361 1.492 20 5 DDBDRO C[NH+](C)CCn1cc(C(=O)NCc2ccc([N+](=O)[O-])cc2)cn1 ZINC000601002505 358377167 /nfs/dbraw/zinc/37/71/67/358377167.db2.gz OJEXQZBAGZNYIP-UHFFFAOYSA-N 1 0 317.349 1.283 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1Cn1cc(C[C@@H]2CC[NH2+]C2)nn1 ZINC000600973551 358364750 /nfs/dbraw/zinc/36/47/50/358364750.db2.gz OYEMUBCFYHMIHB-NSHDSACASA-N 1 0 317.349 1.395 20 5 DDBDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601045058 358392263 /nfs/dbraw/zinc/39/22/63/358392263.db2.gz RZGFSBMFPSNWQF-LLVKDONJSA-N 1 0 324.356 1.100 20 5 DDBDRO C[NH+](C)C[C@@]1(O)CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000601188500 358439183 /nfs/dbraw/zinc/43/91/83/358439183.db2.gz HWAPIICZXSRJGT-HNNXBMFYSA-N 1 0 319.365 1.364 20 5 DDBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000181137970 199255889 /nfs/dbraw/zinc/25/58/89/199255889.db2.gz ZDZYFZRNSMITKB-LBPRGKRZSA-N 1 0 320.393 1.981 20 5 DDBDRO COc1cc(C(=O)N[C@]23CCC[C@@H]2C[NH2+]C3)ccc1[N+](=O)[O-] ZINC000601974043 358761162 /nfs/dbraw/zinc/76/11/62/358761162.db2.gz LHGZBYYETSGIFA-ABAIWWIYSA-N 1 0 305.334 1.475 20 5 DDBDRO [NH3+][C@@H]1CC=C(C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000602429556 358970509 /nfs/dbraw/zinc/97/05/09/358970509.db2.gz GCOWQVXNKYLTGK-CYBMUJFWSA-N 1 0 316.361 1.291 20 5 DDBDRO O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000602605141 359068732 /nfs/dbraw/zinc/06/87/32/359068732.db2.gz UZVHVRLKYKULSP-YGRLFVJLSA-N 1 0 307.325 1.948 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCS[C@H]2COCC[C@H]21 ZINC000602784992 359190518 /nfs/dbraw/zinc/19/05/18/359190518.db2.gz QVMXZSIOTLZBTR-NEPJUHHUSA-N 1 0 312.395 1.306 20 5 DDBDRO O=C1C[C@@H](C[NH2+]CCc2ccc([N+](=O)[O-])cc2)CN1C1CC1 ZINC000602713296 359143098 /nfs/dbraw/zinc/14/30/98/359143098.db2.gz UCZUEMQQTXWWHX-ZDUSSCGKSA-N 1 0 303.362 1.738 20 5 DDBDRO C[C@]12C[NH+](CCc3ccc([N+](=O)[O-])cc3)C[C@]1(C)C(=O)NC2=O ZINC000602723835 359149836 /nfs/dbraw/zinc/14/98/36/359149836.db2.gz HPZGOCSCMMDSBB-HZPDHXFCSA-N 1 0 317.345 1.122 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000602843987 359232151 /nfs/dbraw/zinc/23/21/51/359232151.db2.gz ZSJUBFRHMHNNGK-MRVWCRGKSA-N 1 0 308.382 1.893 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C[C@H]1CCC(=O)N1)C(C)C ZINC000602845300 359233129 /nfs/dbraw/zinc/23/31/29/359233129.db2.gz HKBGJMGJFCJPDG-GFCCVEGCSA-N 1 0 309.370 1.089 20 5 DDBDRO Cc1ccsc1[C@H](CO)[NH2+]CCn1c(C)ncc1[N+](=O)[O-] ZINC000602810167 359207009 /nfs/dbraw/zinc/20/70/09/359207009.db2.gz FFHSELRJPAJPAP-NSHDSACASA-N 1 0 310.379 1.793 20 5 DDBDRO Cn1cc(C[C@H]2CCC[C@H]2[NH2+]Cc2cn(C)nc2[N+](=O)[O-])cn1 ZINC000602894410 359278584 /nfs/dbraw/zinc/27/85/84/359278584.db2.gz GMXZYSMTSRUUJT-TZMCWYRMSA-N 1 0 318.381 1.563 20 5 DDBDRO C[C@](CO)([NH2+]CCCN1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000602962647 359325530 /nfs/dbraw/zinc/32/55/30/359325530.db2.gz NFHFSCYZNUJSKR-MRXNPFEDSA-N 1 0 323.393 1.114 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@H](OC)C[C@@]1(C)CO ZINC000602965138 359329249 /nfs/dbraw/zinc/32/92/49/359329249.db2.gz ZRSBCKOQALTQTI-HIFRSBDPSA-N 1 0 310.350 1.575 20 5 DDBDRO COC(=O)c1cc(C(=O)N[C@H]2CCC[N@H+](C)C2)cc([N+](=O)[O-])c1 ZINC000604198013 359725457 /nfs/dbraw/zinc/72/54/57/359725457.db2.gz DHWMFJWOTHPDPI-LBPRGKRZSA-N 1 0 321.333 1.205 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000237580836 202291750 /nfs/dbraw/zinc/29/17/50/202291750.db2.gz GHSJDVLWIZBLIM-NEPJUHHUSA-N 1 0 309.370 1.124 20 5 DDBDRO C[C@H]1CN(C(=O)CCNc2ccccc2[N+](=O)[O-])[C@@H](C)C[NH2+]1 ZINC000237586217 202293230 /nfs/dbraw/zinc/29/32/30/202293230.db2.gz XYBURMXBSGIMJS-RYUDHWBXSA-N 1 0 306.366 1.606 20 5 DDBDRO Cc1ccc([C@H](C)NC(=O)C[NH2+]C[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000237634101 202311865 /nfs/dbraw/zinc/31/18/65/202311865.db2.gz PYRVEXMZSZAJQT-JSGCOSHPSA-N 1 0 321.377 1.849 20 5 DDBDRO Cc1c(C(=O)N2CC[NH2+][C@H](C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000188452694 200249104 /nfs/dbraw/zinc/24/91/04/200249104.db2.gz XSQUVBWUHNNXST-MRVPVSSYSA-N 1 0 308.294 1.245 20 5 DDBDRO Cn1cc(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)nn1 ZINC000618575438 363679453 /nfs/dbraw/zinc/67/94/53/363679453.db2.gz GTNCIULVLGWXRA-RYUDHWBXSA-N 1 0 305.342 1.193 20 5 DDBDRO C[N@@H+]1CCCN(CCCNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000609619802 360336430 /nfs/dbraw/zinc/33/64/30/360336430.db2.gz DAQRZQKBWBHAQR-UHFFFAOYSA-N 1 0 320.393 1.352 20 5 DDBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])cn2C)C[C@H]1C ZINC000610125851 360384129 /nfs/dbraw/zinc/38/41/29/360384129.db2.gz VDAQHTFAUZCQMM-VXGBXAGGSA-N 1 0 308.382 1.878 20 5 DDBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])cn2C)C[C@H]1C ZINC000610125848 360384274 /nfs/dbraw/zinc/38/42/74/360384274.db2.gz VDAQHTFAUZCQMM-NEPJUHHUSA-N 1 0 308.382 1.878 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])cn(CCC[NH+]2CCCCC2)c1=O ZINC000281244773 216180400 /nfs/dbraw/zinc/18/04/00/216180400.db2.gz UEUBLWSGCJROMB-UHFFFAOYSA-N 1 0 323.349 1.419 20 5 DDBDRO CNc1ccc(C(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000565832685 304096156 /nfs/dbraw/zinc/09/61/56/304096156.db2.gz PXHFONOCBXFECY-JQWIXIFHSA-N 1 0 306.366 1.754 20 5 DDBDRO CC[N@@H+]1CCN(C(=O)CCn2cc([N+](=O)[O-])nc2C)C[C@@H]1C ZINC000611087918 360618189 /nfs/dbraw/zinc/61/81/89/360618189.db2.gz RYKHECUUQJXHHJ-NSHDSACASA-N 1 0 309.370 1.042 20 5 DDBDRO CC[N@@H+]1CCN([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000611092299 360621526 /nfs/dbraw/zinc/62/15/26/360621526.db2.gz ODQPXSBFMFBKHQ-OLZOCXBDSA-N 1 0 320.393 1.948 20 5 DDBDRO CNC(=O)[C@H](C)C[N@H+](C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611276732 360687763 /nfs/dbraw/zinc/68/77/63/360687763.db2.gz FRILYLBRAXHRDM-SNVBAGLBSA-N 1 0 323.349 1.180 20 5 DDBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000611598463 360774935 /nfs/dbraw/zinc/77/49/35/360774935.db2.gz BBQREICVURZLOB-LLVKDONJSA-N 1 0 307.354 1.408 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1cc(N(C)C)cc[nH+]1 ZINC000612347468 360979534 /nfs/dbraw/zinc/97/95/34/360979534.db2.gz YWBNSOUVHGYHHB-UHFFFAOYSA-N 1 0 304.310 1.199 20 5 DDBDRO C[C@H](CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)C[NH+](C)C ZINC000292712066 223212976 /nfs/dbraw/zinc/21/29/76/223212976.db2.gz RHYUTXMTFQVKNC-LLVKDONJSA-N 1 0 315.395 1.212 20 5 DDBDRO O=C1CNC(=O)N1CC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000193286607 201020001 /nfs/dbraw/zinc/02/00/01/201020001.db2.gz ICRUSAJKUPAQED-ZDUSSCGKSA-N 1 0 318.333 1.114 20 5 DDBDRO C[C@@H]([NH3+])CCC(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000193317790 201028181 /nfs/dbraw/zinc/02/81/81/201028181.db2.gz OXEBWUBDIWYUDM-MNOVXSKESA-N 1 0 307.354 1.130 20 5 DDBDRO C[NH+]1CC2(C1)CCN(C(=O)COc1cccc([N+](=O)[O-])c1)C2 ZINC000618921274 363801229 /nfs/dbraw/zinc/80/12/29/363801229.db2.gz SRGHDYLINSPHLX-UHFFFAOYSA-N 1 0 305.334 1.138 20 5 DDBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195263487 201369879 /nfs/dbraw/zinc/36/98/79/201369879.db2.gz SXUQHTBGHZSLRK-PHIMTYICSA-N 1 0 307.375 1.365 20 5 DDBDRO C[NH+](C)C1(CNc2cc(N)c([N+](=O)[O-])c(CO)c2)CCCC1 ZINC000619570345 364064454 /nfs/dbraw/zinc/06/44/54/364064454.db2.gz UFHNBUXNFMVUFU-UHFFFAOYSA-N 1 0 308.382 1.956 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000248653403 202756438 /nfs/dbraw/zinc/75/64/38/202756438.db2.gz VNIXVVYXNQXILX-TVYUQYBPSA-N 1 0 305.334 1.413 20 5 DDBDRO C[C@@H](C[N@H+](C)Cc1ccccc1)Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000271813581 209236643 /nfs/dbraw/zinc/23/66/43/209236643.db2.gz MKEXWSMFUKTXEF-NSHDSACASA-N 1 0 316.365 1.899 20 5 DDBDRO CCC[C@H]1C[NH2+]CCN1C(=O)c1ccc(NC)c([N+](=O)[O-])c1 ZINC000566206977 304129034 /nfs/dbraw/zinc/12/90/34/304129034.db2.gz JFSNFWMCAKLVNG-LBPRGKRZSA-N 1 0 306.366 1.851 20 5 DDBDRO C[C@]1(C[NH3+])CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000261724555 291379651 /nfs/dbraw/zinc/37/96/51/291379651.db2.gz QMWZZTMEFOEVPF-GFCCVEGCSA-N 1 0 317.342 1.093 20 5 DDBDRO COC[C@@](C)([NH3+])CNc1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-] ZINC000265001947 204335578 /nfs/dbraw/zinc/33/55/78/204335578.db2.gz FHUHRGCPQAYBKD-ZKKXHLJNSA-N 1 0 323.349 1.557 20 5 DDBDRO CC[NH+](CC)[C@H]1CCN(c2nc(C(=O)OC)ccc2[N+](=O)[O-])C1 ZINC000288211497 220021481 /nfs/dbraw/zinc/02/14/81/220021481.db2.gz DELDTCCQFOZCNH-NSHDSACASA-N 1 0 322.365 1.697 20 5 DDBDRO CSc1ccc(C(=O)N2CCO[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000274715530 211863912 /nfs/dbraw/zinc/86/39/12/211863912.db2.gz AHAYMCYSRNXLTF-SNVBAGLBSA-N 1 0 311.363 1.116 20 5 DDBDRO CC[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000271689752 209127678 /nfs/dbraw/zinc/12/76/78/209127678.db2.gz QNXNVEZKIPDSLA-HUUCEWRRSA-N 1 0 304.350 1.893 20 5 DDBDRO CC[NH+]1CCC(N[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000266181890 205163627 /nfs/dbraw/zinc/16/36/27/205163627.db2.gz SLSYDUJBMFOTSX-GFCCVEGCSA-N 1 0 320.393 1.996 20 5 DDBDRO C[C@]1(CO)CCC[C@@H]1[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000351525462 284361895 /nfs/dbraw/zinc/36/18/95/284361895.db2.gz SKMZSYQXKOZZBE-DZGCQCFKSA-N 1 0 307.350 1.674 20 5 DDBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2[nH]nc(C)c2[N+](=O)[O-])C1 ZINC000266309775 205256627 /nfs/dbraw/zinc/25/66/27/205256627.db2.gz NUHYABMXWZGRFH-NSHDSACASA-N 1 0 309.370 1.430 20 5 DDBDRO CN(C(=O)CNc1ccccc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000161422095 197493760 /nfs/dbraw/zinc/49/37/60/197493760.db2.gz XWNJCVOVJIOWHP-FUNVUKJBSA-N 1 0 318.377 1.748 20 5 DDBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](CCn3cncn3)CC2)cc1 ZINC000266585001 205454146 /nfs/dbraw/zinc/45/41/46/205454146.db2.gz JNOTXGXYBOJAIW-UHFFFAOYSA-N 1 0 317.349 1.730 20 5 DDBDRO COc1cccc(C(=O)N2CC3CCC2(C[NH3+])CC3)c1[N+](=O)[O-] ZINC000566803252 304182097 /nfs/dbraw/zinc/18/20/97/304182097.db2.gz FZJWDMFDBJGWBX-UHFFFAOYSA-N 1 0 319.361 1.947 20 5 DDBDRO COc1ccc(CSc2nc(N)cc(N)[nH+]2)cc1[N+](=O)[O-] ZINC000040437777 183067594 /nfs/dbraw/zinc/06/75/94/183067594.db2.gz KGJRONIVWZEZQM-UHFFFAOYSA-N 1 0 307.335 1.850 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000044492777 183413101 /nfs/dbraw/zinc/41/31/01/183413101.db2.gz VYJZTBOLOUXMMP-NSHDSACASA-N 1 0 313.379 1.324 20 5 DDBDRO Cn1cc([C@@H](CO)[NH2+]CCOc2cccc([N+](=O)[O-])c2)cn1 ZINC000274123958 211375882 /nfs/dbraw/zinc/37/58/82/211375882.db2.gz XMZIPRWMHNXCCE-CQSZACIVSA-N 1 0 306.322 1.030 20 5 DDBDRO COc1ccc(NC(=O)C[NH2+][C@@H](C)[C@H]2CCOC2)c([N+](=O)[O-])c1 ZINC000274046684 211303122 /nfs/dbraw/zinc/30/31/22/211303122.db2.gz OZZIDMQYHTVYKQ-QWRGUYRKSA-N 1 0 323.349 1.557 20 5 DDBDRO C[C@@H](CO)[C@@H](C)[NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000274007854 211266619 /nfs/dbraw/zinc/26/66/19/211266619.db2.gz LLONWXSQNXNPIM-VHSXEESVSA-N 1 0 306.322 1.751 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000284669831 218124975 /nfs/dbraw/zinc/12/49/75/218124975.db2.gz GUTZNXJURBHRSG-KGLIPLIRSA-N 1 0 307.350 1.400 20 5 DDBDRO CCNC(=O)C[C@@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000284794154 218181673 /nfs/dbraw/zinc/18/16/73/218181673.db2.gz OERPLHXNHHGJDD-LBPRGKRZSA-N 1 0 309.370 1.172 20 5 DDBDRO Cc1cc(C[NH+](C)C)cc(NC(=O)Cn2cnc([N+](=O)[O-])n2)c1 ZINC000340332969 251012533 /nfs/dbraw/zinc/01/25/33/251012533.db2.gz OETZHWHYNFAIIX-UHFFFAOYSA-N 1 0 318.337 1.195 20 5 DDBDRO O=[N+]([O-])c1cnccc1NC1CC[NH+](Cc2cccnc2)CC1 ZINC000340910732 251270407 /nfs/dbraw/zinc/27/04/07/251270407.db2.gz SMRONALOAJIJFI-UHFFFAOYSA-N 1 0 313.361 1.883 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@@H](O)C[C@@H]1C ZINC000340925919 251281752 /nfs/dbraw/zinc/28/17/52/251281752.db2.gz IVVXCMIYBPCONN-AAEUAGOBSA-N 1 0 307.350 1.687 20 5 DDBDRO CC[N@@H+]1CCCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000158195248 197252704 /nfs/dbraw/zinc/25/27/04/197252704.db2.gz SMEVHXHHWFRYLQ-UHFFFAOYSA-N 1 0 320.393 1.585 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCCCN1CC[NH+](C)CC1 ZINC000063703188 184286637 /nfs/dbraw/zinc/28/66/37/184286637.db2.gz MBBKRGVCKLUKRU-UHFFFAOYSA-N 1 0 320.393 1.271 20 5 DDBDRO C[C@@H](NC(=O)COc1ccccc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000269168417 207291780 /nfs/dbraw/zinc/29/17/80/207291780.db2.gz DQEFHXHTDCDUPD-NEPJUHHUSA-N 1 0 307.350 1.478 20 5 DDBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000066137775 184392237 /nfs/dbraw/zinc/39/22/37/184392237.db2.gz NYNBOBGREXTQHP-SNVBAGLBSA-N 1 0 324.337 1.963 20 5 DDBDRO C[C@H](NC(=O)CCNc1ccccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000269237645 207364145 /nfs/dbraw/zinc/36/41/45/207364145.db2.gz XAKBCZUFXWJIRO-QWHCGFSZSA-N 1 0 320.393 1.901 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)c1 ZINC000269243675 207375851 /nfs/dbraw/zinc/37/58/51/207375851.db2.gz YCISFPBIXRDNQF-MNOVXSKESA-N 1 0 307.350 1.721 20 5 DDBDRO C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000270045772 208100540 /nfs/dbraw/zinc/10/05/40/208100540.db2.gz BLNUWMBCSQLXOE-NXEZZACHSA-N 1 0 317.349 1.636 20 5 DDBDRO C[NH2+]C[C@@H]1CCCN(C(=O)c2cc(C)cc([N+](=O)[O-])c2N)C1 ZINC000159007753 197319012 /nfs/dbraw/zinc/31/90/12/197319012.db2.gz KQXVDNOCNVMNAJ-NSHDSACASA-N 1 0 306.366 1.557 20 5 DDBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1c1ncc([N+](=O)[O-])cc1C(N)=O ZINC000286486077 219014242 /nfs/dbraw/zinc/01/42/42/219014242.db2.gz XAPCLNQTMAYVIB-ZYHUDNBSSA-N 1 0 319.365 1.152 20 5 DDBDRO O=[N+]([O-])c1cccnc1N1CC[NH+](CCC2OCCCO2)CC1 ZINC000298194210 285165704 /nfs/dbraw/zinc/16/57/04/285165704.db2.gz XEDLXVMSNVLIBI-UHFFFAOYSA-N 1 0 322.365 1.265 20 5 DDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCCn2ccnn2)n1 ZINC000447596143 285169255 /nfs/dbraw/zinc/16/92/55/285169255.db2.gz BMXIXQIFUGDWRL-CHWSQXEVSA-N 1 0 319.369 1.546 20 5 DDBDRO C[C@@H](NC(=O)NCCc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[NH2+]C1 ZINC000417212694 533169208 /nfs/dbraw/zinc/16/92/08/533169208.db2.gz BEJIYIZOWOPIEV-OCCSQVGLSA-N 1 0 320.393 1.825 20 5 DDBDRO CC(C)[N@H+](C)C[C@@H](C)NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000289482743 221009064 /nfs/dbraw/zinc/00/90/64/221009064.db2.gz IKSMEBMMOAPEGN-LLVKDONJSA-N 1 0 315.395 1.602 20 5 DDBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](c2nc(=O)[nH][nH]2)C1 ZINC000289487165 221011664 /nfs/dbraw/zinc/01/16/64/221011664.db2.gz SGSYDSXLJWGPLF-GHMZBOCLSA-N 1 0 317.349 1.947 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)CC[C@H]1CCC[NH2+]1 ZINC000494544308 533220670 /nfs/dbraw/zinc/22/06/70/533220670.db2.gz IALBNRRTCDNHBH-GFCCVEGCSA-N 1 0 307.350 1.752 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000289767383 221211996 /nfs/dbraw/zinc/21/19/96/221211996.db2.gz NFSZWVPBKYCOLL-RYUDHWBXSA-N 1 0 318.377 1.342 20 5 DDBDRO COC[C@]1(CNC(=O)Nc2ccc([N+](=O)[O-])c(C)c2)CCC[NH2+]1 ZINC000415414166 224570549 /nfs/dbraw/zinc/57/05/49/224570549.db2.gz FMBKPYGICMYEMA-OAHLLOKOSA-N 1 0 322.365 1.793 20 5 DDBDRO CO[C@]1(C)C[C@@H]([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)C1(C)C ZINC000451485162 533375230 /nfs/dbraw/zinc/37/52/30/533375230.db2.gz IDTKWUHGDIQRKX-IUODEOHRSA-N 1 0 309.366 1.550 20 5 DDBDRO Cc1n[nH]c(C(=O)NCc2cccc(C[NH+](C)C)c2)c1[N+](=O)[O-] ZINC000299505265 533667259 /nfs/dbraw/zinc/66/72/59/533667259.db2.gz DUZXUXWQHZJSRG-UHFFFAOYSA-N 1 0 317.349 1.618 20 5 DDBDRO CN(C(=O)CN1CC[C@]2(CC[NH2+]C2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000360562074 299690491 /nfs/dbraw/zinc/69/04/91/299690491.db2.gz KXJHHYZBCMNMLZ-INIZCTEOSA-N 1 0 318.377 1.243 20 5 DDBDRO C[C@@H]1CC[NH2+][C@@H](C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000570035637 304391205 /nfs/dbraw/zinc/39/12/05/304391205.db2.gz OLLAPTWTLWHMSI-BXUZGUMPSA-N 1 0 307.350 1.478 20 5 DDBDRO CS[C@@H]1CN(C(=O)c2c(N)cccc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000330747787 286704069 /nfs/dbraw/zinc/70/40/69/286704069.db2.gz GMCYGFRXFPYEME-VXGBXAGGSA-N 1 0 324.406 1.295 20 5 DDBDRO C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000078572714 407034878 /nfs/dbraw/zinc/03/48/78/407034878.db2.gz GGEGAQUAOXFEJY-NSHDSACASA-N 1 0 313.379 1.215 20 5 DDBDRO C[C@H](CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])[NH+](C)C ZINC000037985883 406996220 /nfs/dbraw/zinc/99/62/20/406996220.db2.gz MCBCFVIRCMXNNQ-SECBINFHSA-N 1 0 301.368 1.360 20 5 DDBDRO Cc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@H]2[NH3+])cc1[N+](=O)[O-] ZINC000038050103 406999375 /nfs/dbraw/zinc/99/93/75/406999375.db2.gz WNRCMDUGYJSYFX-VXGBXAGGSA-N 1 0 313.379 1.451 20 5 DDBDRO CC[NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000054266184 407181118 /nfs/dbraw/zinc/18/11/18/407181118.db2.gz LTFDIVMEUNHBMC-UHFFFAOYSA-N 1 0 307.759 1.136 20 5 DDBDRO CC[NH+](CC)CCNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000054645273 407187639 /nfs/dbraw/zinc/18/76/39/407187639.db2.gz ZKCZNOJTMABGCO-UHFFFAOYSA-N 1 0 308.382 1.778 20 5 DDBDRO COCCCNC(=O)[C@@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000056196116 407208615 /nfs/dbraw/zinc/20/86/15/407208615.db2.gz UMJLKKMALZORAZ-VXGBXAGGSA-N 1 0 309.366 1.787 20 5 DDBDRO Cc1cccc(C(=O)N[C@H](C)CN2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000106819201 407361717 /nfs/dbraw/zinc/36/17/17/407361717.db2.gz KDNWDBCLQKTUBQ-CYBMUJFWSA-N 1 0 320.393 1.269 20 5 DDBDRO CC(C)(CNC(=O)Nc1ccncc1[N+](=O)[O-])N1CCOCC1 ZINC000124703141 407367406 /nfs/dbraw/zinc/36/74/06/407367406.db2.gz SHMGQOMGWLNSEI-UHFFFAOYSA-N 1 0 323.353 1.222 20 5 DDBDRO C[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C[C@@H]1CCCOC1 ZINC000107696091 407378228 /nfs/dbraw/zinc/37/82/28/407378228.db2.gz FCPBRGCAHFHRQX-ZFWWWQNUSA-N 1 0 324.377 1.693 20 5 DDBDRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1cc(F)ccc1[N+](=O)[O-] ZINC000126131745 407406357 /nfs/dbraw/zinc/40/63/57/407406357.db2.gz IZKUHTCNYOHYDS-SNVBAGLBSA-N 1 0 307.325 1.948 20 5 DDBDRO COC(=O)c1cc(NC(=O)[C@@H]([NH3+])CC(C)C)cc([N+](=O)[O-])c1 ZINC000151715149 407482794 /nfs/dbraw/zinc/48/27/94/407482794.db2.gz OEZODYQXSVMKCM-LBPRGKRZSA-N 1 0 309.322 1.693 20 5 DDBDRO Cc1c(C(=O)N2CC[C@@H](C[NH3+])C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000178565249 407494593 /nfs/dbraw/zinc/49/45/93/407494593.db2.gz RBPRYVJJYVNTLN-VIFPVBQESA-N 1 0 308.294 1.232 20 5 DDBDRO COC(=O)C(C)(C)C[NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000151800479 407500108 /nfs/dbraw/zinc/50/01/08/407500108.db2.gz QGISABLISUDQQX-SNVBAGLBSA-N 1 0 323.349 1.711 20 5 DDBDRO CC[C@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000270968054 407443434 /nfs/dbraw/zinc/44/34/34/407443434.db2.gz VTLDDFAQAVVHFE-FZMZJTMJSA-N 1 0 307.350 1.626 20 5 DDBDRO COC[C@H]1CCC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000112990257 407454293 /nfs/dbraw/zinc/45/42/93/407454293.db2.gz DMANGPMUGFJYPN-ZDUSSCGKSA-N 1 0 321.377 1.916 20 5 DDBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@H](C[NH+](C)C)C1 ZINC000114199713 407551170 /nfs/dbraw/zinc/55/11/70/407551170.db2.gz ZQIUXTDLWMOCQC-CHWSQXEVSA-N 1 0 320.393 1.805 20 5 DDBDRO C[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C[C@@H]1CCCCO1 ZINC000221691251 407551236 /nfs/dbraw/zinc/55/12/36/407551236.db2.gz KGURSSPIIOIYIP-ZBFHGGJFSA-N 1 0 324.377 1.835 20 5 DDBDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000261663405 407572885 /nfs/dbraw/zinc/57/28/85/407572885.db2.gz GJTOZUCEANNSOR-GHMZBOCLSA-N 1 0 318.377 1.978 20 5 DDBDRO Cc1c(C[NH2+][C@@H](CC(N)=O)C2CCOCC2)cccc1[N+](=O)[O-] ZINC000181952658 306701271 /nfs/dbraw/zinc/70/12/71/306701271.db2.gz KZKLQXFHOUDSOW-AWEZNQCLSA-N 1 0 321.377 1.663 20 5 DDBDRO Cc1cc(C(=O)NC[C@@H](C)N2CC[NH+](C)CC2)cc([N+](=O)[O-])c1 ZINC000171132542 407608766 /nfs/dbraw/zinc/60/87/66/407608766.db2.gz NMJXLNKHSFSUNA-CYBMUJFWSA-N 1 0 320.393 1.269 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000226460628 407615538 /nfs/dbraw/zinc/61/55/38/407615538.db2.gz MAJBEIAGCIPNMC-LLVKDONJSA-N 1 0 313.379 1.324 20 5 DDBDRO CCc1n[nH]c(C(=O)N[C@@H](C)C[NH+]2CCCCCC2)c1[N+](=O)[O-] ZINC000186330952 407640287 /nfs/dbraw/zinc/64/02/87/407640287.db2.gz HFPQVGFDTBPDHP-NSHDSACASA-N 1 0 323.397 1.875 20 5 DDBDRO CCCN(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[C@@H]1CC[NH2+]C1 ZINC000178902511 407647734 /nfs/dbraw/zinc/64/77/34/407647734.db2.gz NQQPLEPSMVUMIA-LLVKDONJSA-N 1 0 322.321 1.717 20 5 DDBDRO CC[C@@H](c1ccncc1)[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000130150762 407657826 /nfs/dbraw/zinc/65/78/26/407657826.db2.gz PWTOXOXDNXDGBV-GJZGRUSLSA-N 1 0 319.365 1.630 20 5 DDBDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000115443175 407679433 /nfs/dbraw/zinc/67/94/33/407679433.db2.gz RURYAUDFKKENFS-SNVBAGLBSA-N 1 0 324.356 1.730 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2COc3ccc(F)cc32)c1 ZINC000579825433 422837368 /nfs/dbraw/zinc/83/73/68/422837368.db2.gz XLDYIHQNTMADPW-YPMHNXCESA-N 1 0 322.296 1.015 20 5 DDBDRO C[NH2+]C[C@@H](C)CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000133200124 407823620 /nfs/dbraw/zinc/82/36/20/407823620.db2.gz AANIFBRZVJUEQF-SECBINFHSA-N 1 0 301.368 1.037 20 5 DDBDRO Cc1ccc(S(=O)(=O)N2CCC[C@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000237733349 407839291 /nfs/dbraw/zinc/83/92/91/407839291.db2.gz KXPQWNAXXKZSOE-LLVKDONJSA-N 1 0 313.379 1.263 20 5 DDBDRO O=[N+]([O-])c1cccc(Br)c1OC[C@H]1C[NH2+]CCO1 ZINC000133526860 407854882 /nfs/dbraw/zinc/85/48/82/407854882.db2.gz UFDBQKZHQXKAPR-MRVPVSSYSA-N 1 0 317.139 1.725 20 5 DDBDRO O=C(NCC[NH2+]C1CC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000238108482 407889188 /nfs/dbraw/zinc/88/91/88/407889188.db2.gz NCJMYOCEDXBKPE-UHFFFAOYSA-N 1 0 318.377 1.677 20 5 DDBDRO C[C@@H](CNC(=O)c1c(N)cccc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000180676268 407909121 /nfs/dbraw/zinc/90/91/21/407909121.db2.gz HPEKIOVYHHOMFJ-NSHDSACASA-N 1 0 306.366 1.639 20 5 DDBDRO CC(C)[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)N1CCOCC1 ZINC000180051707 407848455 /nfs/dbraw/zinc/84/84/55/407848455.db2.gz QWIIROJKTONEIE-OAHLLOKOSA-N 1 0 321.377 1.568 20 5 DDBDRO CCC([NH3+])(CC)CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000133475544 407851189 /nfs/dbraw/zinc/85/11/89/407851189.db2.gz VMYUUZOBBBYNQX-UHFFFAOYSA-N 1 0 315.395 1.699 20 5 DDBDRO C[NH+](C)C1CN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000134974214 407958383 /nfs/dbraw/zinc/95/83/83/407958383.db2.gz JGEVOTLQORJOBN-UHFFFAOYSA-N 1 0 315.333 1.167 20 5 DDBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000268233459 407961689 /nfs/dbraw/zinc/96/16/89/407961689.db2.gz SPFXCJDDDMBGAL-BXUZGUMPSA-N 1 0 318.377 1.606 20 5 DDBDRO C[C@H]1[NH2+]CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000262774909 407925202 /nfs/dbraw/zinc/92/52/02/407925202.db2.gz KQSGYQVXJGYYBE-MNOVXSKESA-N 1 0 309.391 1.896 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[NH2+][C@H](C)[C@@H]1C ZINC000262809449 407940747 /nfs/dbraw/zinc/94/07/47/407940747.db2.gz XSXFPVSNOJEBLT-MNOVXSKESA-N 1 0 313.379 1.274 20 5 DDBDRO C[NH+](C)CCN(Cc1cccs1)c1ncc([N+](=O)[O-])c(N)n1 ZINC000268371349 408015708 /nfs/dbraw/zinc/01/57/08/408015708.db2.gz YVRIMAIUCVIOHA-UHFFFAOYSA-N 1 0 322.394 1.597 20 5 DDBDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1c([N+](=O)[O-])cnn1C ZINC000245837972 408075743 /nfs/dbraw/zinc/07/57/43/408075743.db2.gz AWTGRDSSMQMUJK-TUAOUCFPSA-N 1 0 323.397 1.425 20 5 DDBDRO C[C@H](O)C[C@@H]1CCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182242461 408104956 /nfs/dbraw/zinc/10/49/56/408104956.db2.gz LTJHUTQBLAQSHH-IHRRRGAJSA-N 1 0 324.377 1.570 20 5 DDBDRO C[C@@H]1CCC[C@H](CO)[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000246258558 408193826 /nfs/dbraw/zinc/19/38/26/408193826.db2.gz KNVDZKVPTDSYKV-BPLDGKMQSA-N 1 0 324.377 1.570 20 5 DDBDRO O=C(c1n[nH]cc1[N+](=O)[O-])N1CC[NH+](CC2CCCCC2)CC1 ZINC000137987938 408165927 /nfs/dbraw/zinc/16/59/27/408165927.db2.gz CLJWKASKTSDJGD-UHFFFAOYSA-N 1 0 321.381 1.656 20 5 DDBDRO C[C@@H]([NH2+]CCCNS(C)(=O)=O)c1ccc([N+](=O)[O-])cc1 ZINC000121262778 408175127 /nfs/dbraw/zinc/17/51/27/408175127.db2.gz VHLRUAWPKVOSRM-SNVBAGLBSA-N 1 0 301.368 1.185 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[N@@H+](C)C(C)C ZINC000155565941 408180000 /nfs/dbraw/zinc/18/00/00/408180000.db2.gz PDZJSLYYKMVWFO-UHFFFAOYSA-N 1 0 315.395 1.522 20 5 DDBDRO CC(C)[N@H+](C)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000155572442 408180435 /nfs/dbraw/zinc/18/04/35/408180435.db2.gz BDXZXWQBZSNVKF-UHFFFAOYSA-N 1 0 301.368 1.213 20 5 DDBDRO C[C@@H]1C[NH2+][C@@H](C)CN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000156176561 408241153 /nfs/dbraw/zinc/24/11/53/408241153.db2.gz IHTGYHOLFYGWIL-JGVFFNPUSA-N 1 0 305.381 1.027 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@H]2CCCC[C@H]2n2cccn2)n1 ZINC000128601495 161951580 /nfs/dbraw/zinc/95/15/80/161951580.db2.gz AGBONTVSNPWVOC-QWHCGFSZSA-N 1 0 304.354 1.761 20 5 DDBDRO CC[N@@H+]1CCCN(C(=O)CCn2nc(C)c([N+](=O)[O-])c2C)CC1 ZINC000263834435 408278530 /nfs/dbraw/zinc/27/85/30/408278530.db2.gz ZPXLBEYTPDFFDU-UHFFFAOYSA-N 1 0 323.397 1.352 20 5 DDBDRO C[C@@H](O)[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000183196599 408349260 /nfs/dbraw/zinc/34/92/60/408349260.db2.gz QYLOCRBARMMPDC-TUAOUCFPSA-N 1 0 307.350 1.625 20 5 DDBDRO Cc1cccc(C(=O)N2CCN(C[C@H](C)O)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000246940338 408373581 /nfs/dbraw/zinc/37/35/81/408373581.db2.gz ZZXFMGHAUDDOJS-STQMWFEESA-N 1 0 321.377 1.430 20 5 DDBDRO CCC[N@@H+]1CC[C@H](CNC(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000183592269 408449027 /nfs/dbraw/zinc/44/90/27/408449027.db2.gz RINZVZWMBSSBTM-LLVKDONJSA-N 1 0 307.354 1.843 20 5 DDBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000247320466 408449961 /nfs/dbraw/zinc/44/99/61/408449961.db2.gz SIUOQMCXZLWAGP-AAEUAGOBSA-N 1 0 318.377 1.733 20 5 DDBDRO Nc1ncc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000183635977 408458769 /nfs/dbraw/zinc/45/87/69/408458769.db2.gz XWWUZQQXJYEUEF-UHFFFAOYSA-N 1 0 319.365 1.176 20 5 DDBDRO Cc1c(CN2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000247080550 408403517 /nfs/dbraw/zinc/40/35/17/408403517.db2.gz HAKDHCBKAAFMLC-STQMWFEESA-N 1 0 307.394 1.790 20 5 DDBDRO CC[NH+]1CCN([C@H]2CCN(c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000264422583 408484572 /nfs/dbraw/zinc/48/45/72/408484572.db2.gz RJGMASGNSVJNIF-INIZCTEOSA-N 1 0 304.394 1.811 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000264438489 408491476 /nfs/dbraw/zinc/49/14/76/408491476.db2.gz SGITWAXJAVPEEF-GFCCVEGCSA-N 1 0 309.370 1.042 20 5 DDBDRO CC[N@H+](CCO)CCNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000183965032 408519046 /nfs/dbraw/zinc/51/90/46/408519046.db2.gz XKVHFTNAWOIOLE-UHFFFAOYSA-N 1 0 315.757 1.292 20 5 DDBDRO CS[C@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000270490043 408550038 /nfs/dbraw/zinc/55/00/38/408550038.db2.gz OGUYTCVSNYLOLZ-STQMWFEESA-N 1 0 309.391 1.712 20 5 DDBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H](CO)c1ccccc1 ZINC000270563180 408581805 /nfs/dbraw/zinc/58/18/05/408581805.db2.gz KWJGGVPOJBTJMF-HNNXBMFYSA-N 1 0 317.345 1.422 20 5 DDBDRO CC(C)[NH+]1CCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 ZINC000270581609 408588699 /nfs/dbraw/zinc/58/86/99/408588699.db2.gz WVABNAXRNCQWTO-UHFFFAOYSA-N 1 0 320.393 1.873 20 5 DDBDRO [NH3+][C@@H]1CC[C@@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])s3)C[C@@H]12 ZINC000248594447 408592187 /nfs/dbraw/zinc/59/21/87/408592187.db2.gz HUWPRGGXOIASEA-IWSPIJDZSA-N 1 0 317.392 1.014 20 5 DDBDRO Cc1cc(C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)c(N)c([N+](=O)[O-])c1 ZINC000177170830 408542079 /nfs/dbraw/zinc/54/20/79/408542079.db2.gz KREAXUGTWZHSSU-WDEREUQCSA-N 1 0 318.377 1.840 20 5 DDBDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000177457957 408625962 /nfs/dbraw/zinc/62/59/62/408625962.db2.gz KPFZTRZEKRSGDB-MNOVXSKESA-N 1 0 306.366 1.780 20 5 DDBDRO C[C@@H](c1cccnc1)[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000270680741 408634510 /nfs/dbraw/zinc/63/45/10/408634510.db2.gz UPNOSDPQCLECKZ-SMDDNHRTSA-N 1 0 305.338 1.240 20 5 DDBDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000177486711 408636886 /nfs/dbraw/zinc/63/68/86/408636886.db2.gz YMUFFGNZDSVGBC-MNOVXSKESA-N 1 0 324.356 1.919 20 5 DDBDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000177552181 408655738 /nfs/dbraw/zinc/65/57/38/408655738.db2.gz IHZBUCZSNFQVHD-CHWSQXEVSA-N 1 0 321.377 1.963 20 5 DDBDRO C[C@H](CNC(=O)c1nn(C)cc1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000270744236 408662564 /nfs/dbraw/zinc/66/25/64/408662564.db2.gz GRYALYBCFWIFKI-LLVKDONJSA-N 1 0 309.370 1.180 20 5 DDBDRO CCOC(=O)c1ccnc(NC[C@H]2CC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000265584797 408702524 /nfs/dbraw/zinc/70/25/24/408702524.db2.gz OBOSIZLEVXXLSL-SNVBAGLBSA-N 1 0 308.338 1.530 20 5 DDBDRO O=C(Cn1cc([N+](=O)[O-])cn1)N1CC[NH+](C2CCCCC2)CC1 ZINC000178194429 408785096 /nfs/dbraw/zinc/78/50/96/408785096.db2.gz MBUOJRMOTTXYQP-UHFFFAOYSA-N 1 0 321.381 1.268 20 5 DDBDRO O=C(C[C@H]1COCC[NH2+]1)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000285858246 408877840 /nfs/dbraw/zinc/87/78/40/408877840.db2.gz YNKYRCJRXWLRHQ-AWEZNQCLSA-N 1 0 321.377 1.412 20 5 DDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000276309845 408832771 /nfs/dbraw/zinc/83/27/71/408832771.db2.gz OFYNUDMOKQMMHB-UONOGXRCSA-N 1 0 304.350 1.534 20 5 DDBDRO NC(=O)c1ccnc(N2CC[C@@H](C[NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000290806445 408835457 /nfs/dbraw/zinc/83/54/57/408835457.db2.gz QOGTUPWFRLZFBS-NSHDSACASA-N 1 0 319.365 1.011 20 5 DDBDRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000285999983 408905324 /nfs/dbraw/zinc/90/53/24/408905324.db2.gz IQXKSOBOAOSTHP-UEKVPHQBSA-N 1 0 306.366 1.509 20 5 DDBDRO [NH3+]CC[C@@H]1CCCCN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000286040056 408912018 /nfs/dbraw/zinc/91/20/18/408912018.db2.gz KSSZUPUVLPFLGP-JTQLQIEISA-N 1 0 317.349 1.815 20 5 DDBDRO CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000187875036 163031412 /nfs/dbraw/zinc/03/14/12/163031412.db2.gz JKUCJKPGCNCGBB-KGYLQXTDSA-N 1 0 307.350 1.457 20 5 DDBDRO COC(=O)c1cnc(NCC[N@@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000276603370 408891673 /nfs/dbraw/zinc/89/16/73/408891673.db2.gz RKWAURUKTXANDU-LLVKDONJSA-N 1 0 322.365 1.920 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@]2(CO)CCOc3ccccc32)c1 ZINC000281593398 408892808 /nfs/dbraw/zinc/89/28/08/408892808.db2.gz FFZHGHGKWZYALT-OAHLLOKOSA-N 1 0 318.333 1.051 20 5 DDBDRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000277408754 408935414 /nfs/dbraw/zinc/93/54/14/408935414.db2.gz FFRJVSHJTNUYIC-BXUZGUMPSA-N 1 0 305.378 1.987 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000193657935 163264975 /nfs/dbraw/zinc/26/49/75/163264975.db2.gz NDTFFGFFWRVIDZ-BETUJISGSA-N 1 0 318.377 1.335 20 5 DDBDRO COCC[N@@H+]1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H]1C ZINC000277487377 408950188 /nfs/dbraw/zinc/95/01/88/408950188.db2.gz DETFXUZMTITVRP-LLVKDONJSA-N 1 0 319.365 1.628 20 5 DDBDRO CC[NH+]1CCC(Nc2nc(C(=O)OC)ccc2[N+](=O)[O-])CC1 ZINC000286263939 408951596 /nfs/dbraw/zinc/95/15/96/408951596.db2.gz VZOGJPRLUFQPRP-UHFFFAOYSA-N 1 0 308.338 1.673 20 5 DDBDRO NC(=O)c1ccc(NCC2CC[NH+](C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000277622999 408980338 /nfs/dbraw/zinc/98/03/38/408980338.db2.gz CHGRWODMORNLOJ-UHFFFAOYSA-N 1 0 318.377 1.980 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@H]2CCO[C@H](C(F)(F)F)C2)c1 ZINC000287311938 409017562 /nfs/dbraw/zinc/01/75/62/409017562.db2.gz CYYSMZCOMLRFQY-SCZZXKLOSA-N 1 0 308.260 1.491 20 5 DDBDRO CC[C@H](C)[N@H+](CCO)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000287492330 409044699 /nfs/dbraw/zinc/04/46/99/409044699.db2.gz SUVKTXNUCBYASP-LBPRGKRZSA-N 1 0 321.377 1.577 20 5 DDBDRO COCCO[C@@H]1C[C@@H](CO)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000278037450 409055659 /nfs/dbraw/zinc/05/56/59/409055659.db2.gz BZOGZTXUHWQUBM-GDBMZVCRSA-N 1 0 324.377 1.441 20 5 DDBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)C[C@H](O)Cc1ccccc1 ZINC000293143696 409057884 /nfs/dbraw/zinc/05/78/84/409057884.db2.gz BFNMQSCVKOOZNC-CQSZACIVSA-N 1 0 304.350 1.327 20 5 DDBDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)c3cc([N+](=O)[O-])c(F)cc3N)C2)C1 ZINC000293654771 409155074 /nfs/dbraw/zinc/15/50/74/409155074.db2.gz HGFICTNQUPDVLU-OAHLLOKOSA-N 1 0 322.340 1.484 20 5 DDBDRO Nc1ccc(C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000289214696 409234389 /nfs/dbraw/zinc/23/43/89/409234389.db2.gz KRNAVUMISQCOMY-OAHLLOKOSA-N 1 0 304.350 1.393 20 5 DDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000289234575 409236841 /nfs/dbraw/zinc/23/68/41/409236841.db2.gz MIZLGHXFZLJUGO-OAHLLOKOSA-N 1 0 304.350 1.393 20 5 DDBDRO Cc1nn(C)c(C(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)c1[N+](=O)[O-] ZINC000294090762 409238528 /nfs/dbraw/zinc/23/85/28/409238528.db2.gz KFYKXYSNIQXZJU-HNNXBMFYSA-N 1 0 321.381 1.195 20 5 DDBDRO [NH3+]CCCN(Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000280297852 409287950 /nfs/dbraw/zinc/28/79/50/409287950.db2.gz ZQKMUKNTIKCSTL-UHFFFAOYSA-N 1 0 302.334 1.914 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@](C)(C(N)=O)C1 ZINC000280316344 409290992 /nfs/dbraw/zinc/29/09/92/409290992.db2.gz QAGXKCHPBMMAFW-HNNXBMFYSA-N 1 0 307.350 1.691 20 5 DDBDRO C[N@@H+]1CCO[C@@H]2CCN(c3nc4sccn4c3[N+](=O)[O-])C[C@@H]21 ZINC000284899859 409369808 /nfs/dbraw/zinc/36/98/08/409369808.db2.gz HOWHDNOUOACTJY-VHSXEESVSA-N 1 0 323.378 1.213 20 5 DDBDRO CCC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000285449894 409448936 /nfs/dbraw/zinc/44/89/36/409448936.db2.gz ZMDAXFCIGKAQGO-CMPLNLGQSA-N 1 0 306.366 1.839 20 5 DDBDRO O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000316418491 164021773 /nfs/dbraw/zinc/02/17/73/164021773.db2.gz BUVNRXOOVDJGMC-KMEUXCNSSA-N 1 0 301.346 1.961 20 5 DDBDRO Cc1c(C[NH2+]Cc2cnc(N(C)C)n2C)cccc1[N+](=O)[O-] ZINC000318561476 164031913 /nfs/dbraw/zinc/03/19/13/164031913.db2.gz KRRNXVUDLOZKRD-UHFFFAOYSA-N 1 0 303.366 1.993 20 5 DDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000408028982 164202537 /nfs/dbraw/zinc/20/25/37/164202537.db2.gz VMODWNOVYOAALR-VXGBXAGGSA-N 1 0 309.370 1.029 20 5 DDBDRO O=C(Cc1ccccc1[N+](=O)[O-])N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000295476800 409500312 /nfs/dbraw/zinc/50/03/12/409500312.db2.gz NUORGDHDSIICAQ-AWEZNQCLSA-N 1 0 321.377 1.100 20 5 DDBDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])nn2C)C1 ZINC000356725579 409552757 /nfs/dbraw/zinc/55/27/57/409552757.db2.gz DVPQKZWTEPMYTC-LBPRGKRZSA-N 1 0 323.397 1.426 20 5 DDBDRO C[C@@H](C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1 ZINC000571364398 304455243 /nfs/dbraw/zinc/45/52/43/304455243.db2.gz SFSMNPGSDHTENI-NHYWBVRUSA-N 1 0 322.340 1.685 20 5 DDBDRO Cn1cnnc1C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000331505200 409579542 /nfs/dbraw/zinc/57/95/42/409579542.db2.gz BSGYUCODAZREGN-QWRGUYRKSA-N 1 0 305.342 1.193 20 5 DDBDRO O=C(COc1ccccc1[N+](=O)[O-])NCCNc1cc[nH+]cc1 ZINC000338067529 409693383 /nfs/dbraw/zinc/69/33/83/409693383.db2.gz HUXIYJGMFITJBM-UHFFFAOYSA-N 1 0 316.317 1.019 20 5 DDBDRO COc1ccc(C(=O)NCCNc2cc[nH+]cc2)cc1[N+](=O)[O-] ZINC000338073030 409695136 /nfs/dbraw/zinc/69/51/36/409695136.db2.gz KWBHDSGCTKLQMP-UHFFFAOYSA-N 1 0 316.317 1.262 20 5 DDBDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000356835256 409647857 /nfs/dbraw/zinc/64/78/57/409647857.db2.gz BLKAMKFRESEIQY-VXGBXAGGSA-N 1 0 307.350 1.525 20 5 DDBDRO CC[C@H](C)[NH+]1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000296864635 409673128 /nfs/dbraw/zinc/67/31/28/409673128.db2.gz IHMFUAQYLRPDSJ-NSHDSACASA-N 1 0 306.366 1.733 20 5 DDBDRO CC[NH+]1CCN(CC(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000342490690 409675557 /nfs/dbraw/zinc/67/55/57/409675557.db2.gz OHISAYKIZLFJOR-ZDUSSCGKSA-N 1 0 320.393 1.410 20 5 DDBDRO CC(=O)N1CCC([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000356883318 409688565 /nfs/dbraw/zinc/68/85/65/409688565.db2.gz USIIYUDLRRNCRJ-UHFFFAOYSA-N 1 0 317.349 1.572 20 5 DDBDRO CC(C)[N@@H+]1C[C@H](C)[C@H](Nc2cccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000342558957 409722542 /nfs/dbraw/zinc/72/25/42/409722542.db2.gz DSUYZFLCFPZAEQ-GXFFZTMASA-N 1 0 306.366 1.834 20 5 DDBDRO C[C@@H](C[NH+](C)C)NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000346189249 409855024 /nfs/dbraw/zinc/85/50/24/409855024.db2.gz FWHBJJHTTFGSIM-NSHDSACASA-N 1 0 317.349 1.460 20 5 DDBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2[nH]nc(C)c2[N+](=O)[O-])C[C@@H]1C ZINC000354406678 409834146 /nfs/dbraw/zinc/83/41/46/409834146.db2.gz VZSMNDUYQDIFAZ-GXSJLCMTSA-N 1 0 309.370 1.571 20 5 DDBDRO CC(C)OCC[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000354580552 409950182 /nfs/dbraw/zinc/95/01/82/409950182.db2.gz WIZNQWDEARGSFE-UHFFFAOYSA-N 1 0 324.381 1.542 20 5 DDBDRO COC(=O)c1cnc(N[C@@H]2CCC[N@H+](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000357682295 410184856 /nfs/dbraw/zinc/18/48/56/410184856.db2.gz KERITXAMEGWMQK-GXSJLCMTSA-N 1 0 308.338 1.671 20 5 DDBDRO CN(C(=O)COc1ccccc1[N+](=O)[O-])[C@H]1CC[N@@H+](C2CC2)C1 ZINC000347015013 410316216 /nfs/dbraw/zinc/31/62/16/410316216.db2.gz UZWCWBRYIQEHCE-ZDUSSCGKSA-N 1 0 319.361 1.669 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H](c2cccnc2)C2CC2)c1 ZINC000347358340 410493493 /nfs/dbraw/zinc/49/34/93/410493493.db2.gz JWNLKVMLVREKCJ-LSDHHAIUSA-N 1 0 317.349 1.288 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@@H]1CCOC1 ZINC000299246226 410580427 /nfs/dbraw/zinc/58/04/27/410580427.db2.gz KLLWCTKJRBVDIQ-GFCCVEGCSA-N 1 0 323.349 1.653 20 5 DDBDRO Cc1c(CNC(=O)NC[C@@](C)(O)C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000359530806 410715508 /nfs/dbraw/zinc/71/55/08/410715508.db2.gz JHLVAVGGIMXJFT-OAHLLOKOSA-N 1 0 324.381 1.015 20 5 DDBDRO CC[N@@H+]1CCCC[C@@H]1CNc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000301953349 410836341 /nfs/dbraw/zinc/83/63/41/410836341.db2.gz CRRGJRRINQBJNB-LLVKDONJSA-N 1 0 304.354 1.924 20 5 DDBDRO CC[N@@H+]1CCCN(c2cc(C(=O)OC)ccc2[N+](=O)[O-])CC1 ZINC000302117852 410839894 /nfs/dbraw/zinc/83/98/94/410839894.db2.gz WUYBNHUOARYGID-UHFFFAOYSA-N 1 0 307.350 1.913 20 5 DDBDRO C[C@@H]1C[N@H+](C)CCN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000330675665 410869189 /nfs/dbraw/zinc/86/91/89/410869189.db2.gz SOFMGYCPAIBAKL-LLVKDONJSA-N 1 0 317.349 1.781 20 5 DDBDRO O=[N+]([O-])c1ccc2oc(C[N@H+]3C[C@@H]4CC[C@H](O)[C@@H]4C3)nc2c1 ZINC000344041288 410914279 /nfs/dbraw/zinc/91/42/79/410914279.db2.gz IEIFVKSIBZPONF-NDMJEZRESA-N 1 0 303.318 1.939 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000337666988 410931322 /nfs/dbraw/zinc/93/13/22/410931322.db2.gz XAZNMTWBNHATIR-UHFFFAOYSA-N 1 0 323.397 1.267 20 5 DDBDRO CC1(C)CN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC[NH2+]1 ZINC000331103066 410950732 /nfs/dbraw/zinc/95/07/32/410950732.db2.gz DXFCXRWCMLEOIF-UHFFFAOYSA-N 1 0 313.304 1.626 20 5 DDBDRO CCN(C)C(=O)C[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000360006831 410994041 /nfs/dbraw/zinc/99/40/41/410994041.db2.gz LDNILPFSAXOGAD-NSHDSACASA-N 1 0 322.365 1.380 20 5 DDBDRO Cn1c(C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)ccc1[N+](=O)[O-] ZINC000353365315 410945306 /nfs/dbraw/zinc/94/53/06/410945306.db2.gz BIFGICKQZGSQFQ-GFCCVEGCSA-N 1 0 306.366 1.395 20 5 DDBDRO Cc1cc(OCC(=O)N2CCC([NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000331100088 410947989 /nfs/dbraw/zinc/94/79/89/410947989.db2.gz CSIIWHGAIJLELI-UHFFFAOYSA-N 1 0 321.377 1.835 20 5 DDBDRO COc1cc(CN2C[C@H]3CCC[NH2+][C@H]3C2)c([N+](=O)[O-])cc1OC ZINC000353713157 411116909 /nfs/dbraw/zinc/11/69/09/411116909.db2.gz VVBJWLPDZBFHKK-YPMHNXCESA-N 1 0 321.377 1.796 20 5 DDBDRO COC(=O)COc1ccc(C[NH2+]C(C)(C)CO)cc1[N+](=O)[O-] ZINC000353738768 411120460 /nfs/dbraw/zinc/12/04/60/411120460.db2.gz NTHKAECXHXUZAA-UHFFFAOYSA-N 1 0 312.322 1.007 20 5 DDBDRO O=[N+]([O-])c1cc(CN2CC[C@H](C[NH+]3CCOCC3)C2)cs1 ZINC000129480178 196052250 /nfs/dbraw/zinc/05/22/50/196052250.db2.gz NAXQNTKGOAVSGW-GFCCVEGCSA-N 1 0 311.407 1.810 20 5 DDBDRO NC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000131696417 196191672 /nfs/dbraw/zinc/19/16/72/196191672.db2.gz FIWIRUXVERTCRP-LLVKDONJSA-N 1 0 319.365 1.011 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@H]([NH3+])C2CC2)cc1C ZINC000133150291 196315581 /nfs/dbraw/zinc/31/55/81/196315581.db2.gz MYOXIUBGCMPFSY-NSHDSACASA-N 1 0 313.379 1.227 20 5 DDBDRO C[NH2+]C1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000178951186 221884745 /nfs/dbraw/zinc/88/47/45/221884745.db2.gz FSAQAWILFJWPKU-UHFFFAOYSA-N 1 0 305.381 1.029 20 5 DDBDRO C[C@H](CO)[N@@H+]1CCCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000366907709 418535207 /nfs/dbraw/zinc/53/52/07/418535207.db2.gz BEPIGPRCFAWMFM-GFCCVEGCSA-N 1 0 311.357 1.622 20 5 DDBDRO Cc1ccc(C)c(S(=O)(=O)NCC[NH2+]C2CC2)c1[N+](=O)[O-] ZINC000193258858 418530108 /nfs/dbraw/zinc/53/01/08/418530108.db2.gz WJOZNTUXJLPAQA-UHFFFAOYSA-N 1 0 313.379 1.242 20 5 DDBDRO C[NH+](C)CCCNC(=O)CSc1ccc([N+](=O)[O-])cc1F ZINC000193508332 418532523 /nfs/dbraw/zinc/53/25/23/418532523.db2.gz REQZHEJOVJFDTI-UHFFFAOYSA-N 1 0 315.370 1.894 20 5 DDBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)COc3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC000374625657 418546977 /nfs/dbraw/zinc/54/69/77/418546977.db2.gz UBDIAJNHDMHCSS-NILFDRSVSA-N 1 0 319.361 1.559 20 5 DDBDRO CO[C@@H]1CCC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000360997254 418562352 /nfs/dbraw/zinc/56/23/52/418562352.db2.gz FUHRKIWPZCWMME-HUUCEWRRSA-N 1 0 324.377 1.835 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)n1 ZINC000191633122 222106441 /nfs/dbraw/zinc/10/64/41/222106441.db2.gz TWCQAYSQYPHLMQ-GHMZBOCLSA-N 1 0 309.370 1.366 20 5 DDBDRO CC1(NC(=O)CCNc2ccccc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000193367173 222151964 /nfs/dbraw/zinc/15/19/64/222151964.db2.gz KMBYWRFEYGUFKX-UHFFFAOYSA-N 1 0 306.366 1.655 20 5 DDBDRO CC1(C)[C@@H](O)CC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000361414271 418648186 /nfs/dbraw/zinc/64/81/86/418648186.db2.gz ILSFYHKNTIMSRU-RISCZKNCSA-N 1 0 310.350 1.180 20 5 DDBDRO NC(=O)c1ccc(C[N@@H+]2CC[C@]3(C2)CCCOC3)c([N+](=O)[O-])c1 ZINC000375278910 418624411 /nfs/dbraw/zinc/62/44/11/418624411.db2.gz MNZFQHHWMCQRTR-INIZCTEOSA-N 1 0 319.361 1.696 20 5 DDBDRO C[C@H]1C[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@H]1CO ZINC000361658075 418697473 /nfs/dbraw/zinc/69/74/73/418697473.db2.gz XEWVWXRPWDWGSL-GWCFXTLKSA-N 1 0 308.334 1.522 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NCC[NH2+]C1CCCCCC1 ZINC000422860467 227225052 /nfs/dbraw/zinc/22/50/52/227225052.db2.gz MKOAJOQAAOSUQB-UHFFFAOYSA-N 1 0 309.370 1.371 20 5 DDBDRO C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000364621815 418794292 /nfs/dbraw/zinc/79/42/92/418794292.db2.gz FBMXTYVBVSNCEX-PRULPYPASA-N 1 0 309.391 1.522 20 5 DDBDRO COC[C@@]1(C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC[NH2+]C1 ZINC000423269733 227422908 /nfs/dbraw/zinc/42/29/08/227422908.db2.gz FVBNMUWKSDNCQF-MLGOLLRUSA-N 1 0 321.377 1.707 20 5 DDBDRO Cc1cc(C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)ccc1[N+](=O)[O-] ZINC000372943699 418914815 /nfs/dbraw/zinc/91/48/15/418914815.db2.gz CFPNLPUTFBOTBO-KGLIPLIRSA-N 1 0 319.361 1.496 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)n1 ZINC000424073533 228225109 /nfs/dbraw/zinc/22/51/09/228225109.db2.gz MPISHBXUJXWGFG-MXWKQRLJSA-N 1 0 309.370 1.257 20 5 DDBDRO C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000411555766 419343046 /nfs/dbraw/zinc/34/30/46/419343046.db2.gz WWYXCQOXYWRKAI-BYCMXARLSA-N 1 0 303.362 1.766 20 5 DDBDRO Cc1c([C@@H](C)[NH2+][C@H]2CCC(=O)N(C)C2=O)cccc1[N+](=O)[O-] ZINC000424314463 228258145 /nfs/dbraw/zinc/25/81/45/228258145.db2.gz KQAUJJZHRAVJJS-PWSUYJOCSA-N 1 0 305.334 1.701 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000425044551 228353733 /nfs/dbraw/zinc/35/37/33/228353733.db2.gz HZDWIOIERJUIHX-SMDDNHRTSA-N 1 0 319.361 1.770 20 5 DDBDRO [NH3+][C@@H]1CCC[C@H](CNC(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000417937806 419399527 /nfs/dbraw/zinc/39/95/27/419399527.db2.gz IZHATBSEHHLPEP-UONOGXRCSA-N 1 0 320.393 1.954 20 5 DDBDRO COc1cc(C[N@@H+]2CC[C@H](CO)[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000425974229 419376219 /nfs/dbraw/zinc/37/62/19/419376219.db2.gz LGIUCRBQQWZHIJ-WDEREUQCSA-N 1 0 310.350 1.815 20 5 DDBDRO COCC(COC)[NH+]1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000411861866 419441646 /nfs/dbraw/zinc/44/16/46/419441646.db2.gz OGKXGMPAPFOWSH-UHFFFAOYSA-N 1 0 323.393 1.374 20 5 DDBDRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000418109210 419539062 /nfs/dbraw/zinc/53/90/62/419539062.db2.gz HXOVKGSHVRNCKP-JFOCPDPESA-N 1 0 319.405 1.995 20 5 DDBDRO O=[N+]([O-])c1ccccc1OCC[NH2+][C@H](CO)[C@H]1CCCOC1 ZINC000411992777 419547400 /nfs/dbraw/zinc/54/74/00/419547400.db2.gz KHARYHGCAWVMFU-QWHCGFSZSA-N 1 0 310.350 1.351 20 5 DDBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000421709142 419692376 /nfs/dbraw/zinc/69/23/76/419692376.db2.gz CRKWUVXYONEQRB-ZDUSSCGKSA-N 1 0 309.341 1.829 20 5 DDBDRO Cc1c(CC(=O)N(C)C[C@@H]2CCC[N@@H+]2C)cccc1[N+](=O)[O-] ZINC000421711535 419699843 /nfs/dbraw/zinc/69/98/43/419699843.db2.gz OPCJFYNAAXPLTL-AWEZNQCLSA-N 1 0 305.378 1.998 20 5 DDBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000418389735 419767709 /nfs/dbraw/zinc/76/77/09/419767709.db2.gz WREPJQXXZJKHPG-ZDUSSCGKSA-N 1 0 306.366 1.531 20 5 DDBDRO CNc1nc(C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000422032230 419817860 /nfs/dbraw/zinc/81/78/60/419817860.db2.gz FCOASEBGMXDZJM-JTQLQIEISA-N 1 0 307.354 1.198 20 5 DDBDRO COc1ccc(OCCN2CC[C@H]3[NH2+]CC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000428033814 419793457 /nfs/dbraw/zinc/79/34/57/419793457.db2.gz NCQGAEVNFKAWSI-GXTWGEPZSA-N 1 0 321.377 1.666 20 5 DDBDRO [NH3+]CCN(CCO)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000414909943 419872132 /nfs/dbraw/zinc/87/21/32/419872132.db2.gz HEPJUETURRNZRK-UHFFFAOYSA-N 1 0 305.334 1.608 20 5 DDBDRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000418569308 419881296 /nfs/dbraw/zinc/88/12/96/419881296.db2.gz HWDFECZBMVUVRF-WFASDCNBSA-N 1 0 320.393 1.777 20 5 DDBDRO [NH3+]C[C@@H]1CCCN(C(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000428518617 419883816 /nfs/dbraw/zinc/88/38/16/419883816.db2.gz CFWABYODDGFHDP-LBPRGKRZSA-N 1 0 307.350 1.561 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NCC1([NH+](C)C)CCCCC1 ZINC000299338199 229059086 /nfs/dbraw/zinc/05/90/86/229059086.db2.gz KFRSCEUFIJKMCU-UHFFFAOYSA-N 1 0 323.397 1.480 20 5 DDBDRO COc1cc(C(=O)N2CCC([NH3+])CC2)cc([N+](=O)[O-])c1OC ZINC000428742605 419925360 /nfs/dbraw/zinc/92/53/60/419925360.db2.gz IHQXFCISIWUOES-UHFFFAOYSA-N 1 0 309.322 1.175 20 5 DDBDRO CNS(=O)(=O)CCC[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429235880 419990398 /nfs/dbraw/zinc/99/03/98/419990398.db2.gz GNJPPTXGVGPGBL-UHFFFAOYSA-N 1 0 315.395 1.359 20 5 DDBDRO CNC(=O)[C@H]1CCC[C@H]1[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000429766501 420045733 /nfs/dbraw/zinc/04/57/33/420045733.db2.gz YRPGZOUFRDRJCX-UONOGXRCSA-N 1 0 307.350 1.478 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](C[NH3+])CC(C)C ZINC000415420088 420057451 /nfs/dbraw/zinc/05/74/51/420057451.db2.gz AMUDRKXAJOEVDY-LLVKDONJSA-N 1 0 322.365 1.331 20 5 DDBDRO COc1ccc(NC(=O)NC[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000415428547 420061848 /nfs/dbraw/zinc/06/18/48/420061848.db2.gz ACQCXQAMBDVPLX-SNVBAGLBSA-N 1 0 308.338 1.725 20 5 DDBDRO Cc1ccc(NC(=O)C(=O)N2CC[C@H]([NH3+])[C@H](C)C2)cc1[N+](=O)[O-] ZINC000415432984 420062722 /nfs/dbraw/zinc/06/27/22/420062722.db2.gz HSPCNDADSDOFOV-PWSUYJOCSA-N 1 0 320.349 1.037 20 5 DDBDRO Cc1c(CC(=O)N[C@@H]2[C@H](C)CC[NH2+][C@@H]2C)cccc1[N+](=O)[O-] ZINC000423635588 420108827 /nfs/dbraw/zinc/10/88/27/420108827.db2.gz PEBPGRUGYBQHOJ-NSODJVPESA-N 1 0 305.378 1.948 20 5 DDBDRO O=C(C[NH2+]C[C@@H]1CCCO1)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000423718157 420140338 /nfs/dbraw/zinc/14/03/38/420140338.db2.gz CJHQAIOQZNIOLJ-JTQLQIEISA-N 1 0 319.321 1.178 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000415492378 420088112 /nfs/dbraw/zinc/08/81/12/420088112.db2.gz BTPSLEHTFAPISW-CMPLNLGQSA-N 1 0 320.349 1.819 20 5 DDBDRO C[C@H]([NH3+])[C@H](C)NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000415811604 420186722 /nfs/dbraw/zinc/18/67/22/420186722.db2.gz RZPNWAQKBPPFTD-BQBZGAKWSA-N 1 0 314.729 1.039 20 5 DDBDRO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000423836272 420217185 /nfs/dbraw/zinc/21/71/85/420217185.db2.gz FLBISQARVDTEBK-FZMZJTMJSA-N 1 0 309.753 1.864 20 5 DDBDRO COC(=O)c1cnc(NCC[C@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000420188086 420146213 /nfs/dbraw/zinc/14/62/13/420146213.db2.gz FBKBGRAHKCMLHW-SNVBAGLBSA-N 1 0 308.338 1.578 20 5 DDBDRO COC(=O)c1cc(C)nc(NCC[C@@H]2CCC[NH2+]C2)c1[N+](=O)[O-] ZINC000420196437 420148078 /nfs/dbraw/zinc/14/80/78/420148078.db2.gz LAPINCYZAOCOSL-NSHDSACASA-N 1 0 322.365 1.886 20 5 DDBDRO C[NH2+][C@@H]1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000430617981 420160823 /nfs/dbraw/zinc/16/08/23/420160823.db2.gz QJRNQQYJCNIDNA-LLVKDONJSA-N 1 0 303.322 1.439 20 5 DDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000415770376 420171444 /nfs/dbraw/zinc/17/14/44/420171444.db2.gz YSLKCAUKAOSYHN-LBPRGKRZSA-N 1 0 308.338 1.267 20 5 DDBDRO C[C@H](CCCC[NH3+])Nc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000420263127 420173708 /nfs/dbraw/zinc/17/37/08/420173708.db2.gz SLXZISAZDXXCLB-SNVBAGLBSA-N 1 0 305.338 2.574 20 5 DDBDRO CCc1ccccc1[C@H]([NH3+])CNc1ncc([N+](=O)[O-])c(C)n1 ZINC000420268599 420175801 /nfs/dbraw/zinc/17/58/01/420175801.db2.gz DQWNDAIPQUROIX-CYBMUJFWSA-N 1 0 301.350 2.368 20 5 DDBDRO CN1CC[NH2+]C[C@H]1CNc1ccc([N+](=O)[O-])cc1OC(F)F ZINC000420281023 420181419 /nfs/dbraw/zinc/18/14/19/420181419.db2.gz VLUFRFAVJSDOKU-JTQLQIEISA-N 1 0 316.308 1.512 20 5 DDBDRO C[C@H]1CN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@H](C)[NH2+]1 ZINC000430970477 420228953 /nfs/dbraw/zinc/22/89/53/420228953.db2.gz JXQUPTJDHJVFOX-RYUDHWBXSA-N 1 0 306.366 1.240 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@@H](C)[NH2+]C[C@H]1C ZINC000420399278 420262941 /nfs/dbraw/zinc/26/29/41/420262941.db2.gz NRFZZOOBTVBRAN-VXGBXAGGSA-N 1 0 306.366 1.524 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000423935796 420274763 /nfs/dbraw/zinc/27/47/63/420274763.db2.gz BJJAFSOSCGPQAT-ZDUSSCGKSA-N 1 0 307.350 1.851 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@@H](C)[C@H](C)[NH3+])c1 ZINC000420433986 420283748 /nfs/dbraw/zinc/28/37/48/420283748.db2.gz DLXCLCUSIOCIFL-UWVGGRQHSA-N 1 0 301.368 1.226 20 5 DDBDRO COc1cc(C(=O)NCC2([NH+](C)C)CC2)cc([N+](=O)[O-])c1OC ZINC000416298685 420315011 /nfs/dbraw/zinc/31/50/11/420315011.db2.gz DQBGOTSVKNTRJT-UHFFFAOYSA-N 1 0 323.349 1.436 20 5 DDBDRO Cc1cc(OCC(=O)NCC2([NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000416307249 420323669 /nfs/dbraw/zinc/32/36/69/420323669.db2.gz JTVVMRVCQHGSGR-UHFFFAOYSA-N 1 0 307.350 1.492 20 5 DDBDRO C[NH+](C)[C@H]1CCC[C@H](Nc2ccc3ncc([N+](=O)[O-])n3n2)C1 ZINC000301974695 230013938 /nfs/dbraw/zinc/01/39/38/230013938.db2.gz VNFJTEXNKUIQPA-QWRGUYRKSA-N 1 0 304.354 1.922 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](c2nnc[nH]2)C1 ZINC000425553547 420417906 /nfs/dbraw/zinc/41/79/06/420417906.db2.gz UQQXAYIVEFIZGK-NSHDSACASA-N 1 0 303.322 1.711 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000354661616 306782404 /nfs/dbraw/zinc/78/24/04/306782404.db2.gz AZDBHDMEJMPFCX-GFCCVEGCSA-N 1 0 320.349 1.100 20 5 DDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])NCCC1=CC[NH2+]CC1 ZINC000417770925 420473969 /nfs/dbraw/zinc/47/39/69/420473969.db2.gz UTKQPXSFESEBCO-UHFFFAOYSA-N 1 0 318.377 1.746 20 5 DDBDRO C[C@@]1(CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)CCC[NH2+]C1 ZINC000440853052 420614285 /nfs/dbraw/zinc/61/42/85/420614285.db2.gz AXYHCMUDFHVXRL-LLVKDONJSA-N 1 0 319.408 1.324 20 5 DDBDRO O=C(CC[NH2+][C@@H](CO)[C@H]1CCCO1)Nc1ccc([N+](=O)[O-])cc1 ZINC000447918605 420819109 /nfs/dbraw/zinc/81/91/09/420819109.db2.gz ZTNNTQHZZBYKID-UONOGXRCSA-N 1 0 323.349 1.053 20 5 DDBDRO CCOC[C@H]1CCCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000459706770 420852293 /nfs/dbraw/zinc/85/22/93/420852293.db2.gz JEAHJLPCSPMOSU-TZMCWYRMSA-N 1 0 312.370 1.043 20 5 DDBDRO CO[C@@H]1COC[C@@H]1[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000459758299 420866080 /nfs/dbraw/zinc/86/60/80/420866080.db2.gz PSZHKZCGNBMOKY-LEWSCRJBSA-N 1 0 323.349 1.315 20 5 DDBDRO C[NH2+][C@H](CC(C)(C)C)C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000449170389 420964826 /nfs/dbraw/zinc/96/48/26/420964826.db2.gz QSAPVIXQIFJPLS-GFCCVEGCSA-N 1 0 319.365 2.434 20 5 DDBDRO C[C@@H](NC(=O)NCCOCC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000471635102 420934839 /nfs/dbraw/zinc/93/48/39/420934839.db2.gz HYERMXVXEQXGPW-GFCCVEGCSA-N 1 0 324.381 1.533 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H]1CCCN1CCCO ZINC000449388183 421002103 /nfs/dbraw/zinc/00/21/03/421002103.db2.gz OKTJBKFWSJBDPO-INIZCTEOSA-N 1 0 307.394 1.840 20 5 DDBDRO COC[C@@]1(CO)CC[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000449696251 421061739 /nfs/dbraw/zinc/06/17/39/421061739.db2.gz KCALNIBYFNQFIW-HNNXBMFYSA-N 1 0 310.350 1.434 20 5 DDBDRO C[N@@H+]1CC[C@@](O)(CNc2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000450442791 421198406 /nfs/dbraw/zinc/19/84/06/421198406.db2.gz YOSLQIFGEUMMFE-OAHLLOKOSA-N 1 0 302.334 1.622 20 5 DDBDRO Cc1cc(S(=O)(=O)NC[C@@H]([NH3+])C2CC2)c(C)cc1[N+](=O)[O-] ZINC000563445522 421509839 /nfs/dbraw/zinc/50/98/39/421509839.db2.gz FYLFMMCITILAFB-LLVKDONJSA-N 1 0 313.379 1.227 20 5 DDBDRO C[C@H]1CC[N@H+](CC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000553556999 421620891 /nfs/dbraw/zinc/62/08/91/421620891.db2.gz QQTHRDVLZRLAFE-LBPRGKRZSA-N 1 0 319.361 1.526 20 5 DDBDRO CC(C)(C)[N@@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000531630389 421639754 /nfs/dbraw/zinc/63/97/54/421639754.db2.gz POOIWYJSKHMULE-UHFFFAOYSA-N 1 0 306.366 1.936 20 5 DDBDRO CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)c1c([N+](=O)[O-])cnn1C ZINC000554599989 421654201 /nfs/dbraw/zinc/65/42/01/421654201.db2.gz PUMHFNUTXAJVQW-NSHDSACASA-N 1 0 309.370 1.275 20 5 DDBDRO COc1cccc(C(=O)N2CC[C@H](OC)C[C@@H]2C[NH3+])c1[N+](=O)[O-] ZINC000518756388 421664677 /nfs/dbraw/zinc/66/46/77/421664677.db2.gz HLJMEXBIANWYQQ-MNOVXSKESA-N 1 0 323.349 1.182 20 5 DDBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CC1(CO)CCOCC1 ZINC000519762222 421724894 /nfs/dbraw/zinc/72/48/94/421724894.db2.gz ASVQRBTWDCFIOZ-AWEZNQCLSA-N 1 0 306.362 1.961 20 5 DDBDRO Cc1nn(C)c(N2CCC[C@@H]([NH+]3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000571581004 421728523 /nfs/dbraw/zinc/72/85/23/421728523.db2.gz GJTXWNQPDLWFPG-CYBMUJFWSA-N 1 0 323.397 1.328 20 5 DDBDRO O=C(c1c[nH]nc1[N+](=O)[O-])N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000558758944 421824599 /nfs/dbraw/zinc/82/45/99/421824599.db2.gz LKSUZUBZEYDHEF-NSHDSACASA-N 1 0 307.354 1.408 20 5 DDBDRO CO[C@H](C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])C(C)C ZINC000572511554 421795395 /nfs/dbraw/zinc/79/53/95/421795395.db2.gz DRZYRQJYARSURC-IUODEOHRSA-N 1 0 312.366 1.595 20 5 DDBDRO C[C@H]([NH3+])[C@H](C)C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000582178822 422124249 /nfs/dbraw/zinc/12/42/49/422124249.db2.gz VJPXAPYZNKUBSE-IUCAKERBSA-N 1 0 303.322 1.907 20 5 DDBDRO CC(C)Oc1nc(NCC2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000583763102 422214239 /nfs/dbraw/zinc/21/42/39/422214239.db2.gz PXKPRUHVZWGPNG-UHFFFAOYSA-N 1 0 308.382 2.531 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC[C@H](O)C[N@H+](C)C1CC1 ZINC000574982697 422227894 /nfs/dbraw/zinc/22/78/94/422227894.db2.gz HVIOKZCMDZKOCE-AWEZNQCLSA-N 1 0 309.366 1.148 20 5 DDBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000592487648 422334040 /nfs/dbraw/zinc/33/40/40/422334040.db2.gz WRMWGYMSOZMNKT-AAEUAGOBSA-N 1 0 324.356 1.474 20 5 DDBDRO Cc1nccn1CC[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000577860252 422444900 /nfs/dbraw/zinc/44/49/00/422444900.db2.gz UJFMDGZNWOVFTE-CQSZACIVSA-N 1 0 320.349 1.129 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCCn1cc(CO)nn1 ZINC000579061222 422696051 /nfs/dbraw/zinc/69/60/51/422696051.db2.gz PHPHGOZTENEIBG-LBPRGKRZSA-N 1 0 319.365 1.728 20 5 DDBDRO C[N@@H+]1CCC[C@H](CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000108562518 270966944 /nfs/dbraw/zinc/96/69/44/270966944.db2.gz UQLZLLIEQYMZGI-CQSZACIVSA-N 1 0 320.393 1.778 20 5 DDBDRO CC(C)[NH2+]CC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000315772837 271015279 /nfs/dbraw/zinc/01/52/79/271015279.db2.gz RFXGPZDLDACPFH-UHFFFAOYSA-N 1 0 306.366 1.241 20 5 DDBDRO CCS(=O)(=O)C[C@@H](C)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000341716406 271186153 /nfs/dbraw/zinc/18/61/53/271186153.db2.gz YAGXYCZLGZIXOC-LLVKDONJSA-N 1 0 300.380 1.550 20 5 DDBDRO C[C@@H](CCNC(=O)c1ccc([N+](=O)[O-])n1C)[NH+]1CCCCC1 ZINC000344946631 272143887 /nfs/dbraw/zinc/14/38/87/272143887.db2.gz RCWQMWBOQOTSEH-LBPRGKRZSA-N 1 0 308.382 1.928 20 5 DDBDRO Cn1c(C(=O)NCCC[NH+]2CCCCCC2)ccc1[N+](=O)[O-] ZINC000345507594 272269247 /nfs/dbraw/zinc/26/92/47/272269247.db2.gz OIPAVYTWGDRDPC-UHFFFAOYSA-N 1 0 308.382 1.929 20 5 DDBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)Cn2cc([N+](=O)[O-])nc2C)C[C@@H]1C ZINC000345913770 272363385 /nfs/dbraw/zinc/36/33/85/272363385.db2.gz WANITMJPBZLHSB-WDEREUQCSA-N 1 0 309.370 1.041 20 5 DDBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)COc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000345995707 272385256 /nfs/dbraw/zinc/38/52/56/272385256.db2.gz UKJCQTJZEKFKLP-QWHCGFSZSA-N 1 0 321.377 1.915 20 5 DDBDRO CC[N@@H+]1C[C@@H](C)N(CCn2cc([N+](=O)[O-])ccc2=O)C[C@H]1C ZINC000346185030 272435015 /nfs/dbraw/zinc/43/50/15/272435015.db2.gz GNBHNVMYNZQDTE-CHWSQXEVSA-N 1 0 308.382 1.171 20 5 DDBDRO CC[C@@H](C)[NH+]1CCN(c2nc(C(=O)OC)ccc2[N+](=O)[O-])CC1 ZINC000295932261 273716437 /nfs/dbraw/zinc/71/64/37/273716437.db2.gz HFWMAWHPTCQIBH-LLVKDONJSA-N 1 0 322.365 1.697 20 5 DDBDRO O=[N+]([O-])c1cc2c(ncnc2N2CC[NH+](CCCO)CC2)s1 ZINC000286251706 275034077 /nfs/dbraw/zinc/03/40/77/275034077.db2.gz MQMCHVZGNDLXQC-UHFFFAOYSA-N 1 0 323.378 1.104 20 5 DDBDRO CC(C)([NH3+])CNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000129650679 275551978 /nfs/dbraw/zinc/55/19/78/275551978.db2.gz ZARKKYCXLKMBGX-UHFFFAOYSA-N 1 0 307.759 1.264 20 5 DDBDRO CC(C)[C@@](C)(C[NH3+])NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000430562970 275691919 /nfs/dbraw/zinc/69/19/19/275691919.db2.gz HCZWUZXQMXSKEX-MRXNPFEDSA-N 1 0 320.393 1.447 20 5 DDBDRO COC(=O)c1cc(C)nc(N2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1[N+](=O)[O-] ZINC000420263935 277150770 /nfs/dbraw/zinc/15/07/70/277150770.db2.gz TZWKHAKEMBNBHK-GHMZBOCLSA-N 1 0 320.349 1.131 20 5 DDBDRO C[NH2+][C@H](C)Cc1noc(COc2ccc([N+](=O)[O-])c(OC)c2)n1 ZINC000261847748 277299201 /nfs/dbraw/zinc/29/92/01/277299201.db2.gz SOZHXUYBJYWUFL-SECBINFHSA-N 1 0 322.321 1.716 20 5 DDBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CC(=O)N(C)C1 ZINC000268884480 278222410 /nfs/dbraw/zinc/22/24/10/278222410.db2.gz WUAPHLDNJQFLGR-CMPLNLGQSA-N 1 0 320.349 1.132 20 5 DDBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCCC[NH3+] ZINC000237630568 278301883 /nfs/dbraw/zinc/30/18/83/278301883.db2.gz CGILQGRKPARXDD-QMMMGPOBSA-N 1 0 301.730 1.481 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCS(=O)(=O)C1 ZINC000449164927 279382471 /nfs/dbraw/zinc/38/24/71/279382471.db2.gz RXWMUNHHIRDBJG-DGCLKSJQSA-N 1 0 312.391 1.693 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCS(=O)(=O)C1 ZINC000449164929 279383000 /nfs/dbraw/zinc/38/30/00/279383000.db2.gz RXWMUNHHIRDBJG-YPMHNXCESA-N 1 0 312.391 1.693 20 5 DDBDRO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000278214085 280044941 /nfs/dbraw/zinc/04/49/41/280044941.db2.gz IRNQQVCVKYGTSD-KOLCDFICSA-N 1 0 321.333 1.236 20 5 DDBDRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000266464781 281194104 /nfs/dbraw/zinc/19/41/04/281194104.db2.gz ANTVJYIWWLQXLU-WDEREUQCSA-N 1 0 307.354 1.325 20 5 DDBDRO Cc1cccc(N2CCN(C(=O)C[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000275480350 281227274 /nfs/dbraw/zinc/22/72/74/281227274.db2.gz PPDOPVWUZGCAHD-UHFFFAOYSA-N 1 0 306.366 1.113 20 5 DDBDRO CN(C)C[C@H](O)C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000130134981 281369156 /nfs/dbraw/zinc/36/91/56/281369156.db2.gz GTVPZKUMVAVMMM-FVQBIDKESA-N 1 0 321.421 1.818 20 5 DDBDRO COC[C@H](CCO)[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000269030988 293102620 /nfs/dbraw/zinc/10/26/20/293102620.db2.gz SECJKIXCYKJZBZ-LSDHHAIUSA-N 1 0 308.378 1.903 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H]3CC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000185067609 295253720 /nfs/dbraw/zinc/25/37/20/295253720.db2.gz DODRPVZYDNLFRH-WQAKAFBOSA-N 1 0 305.334 1.413 20 5 DDBDRO C[C@@H]1C[NH2+]CC[C@H]1NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000262769010 297109663 /nfs/dbraw/zinc/10/96/63/297109663.db2.gz LQIVWENWIVMEMN-PSASIEDQSA-N 1 0 317.342 1.010 20 5 DDBDRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000354201872 298361407 /nfs/dbraw/zinc/36/14/07/298361407.db2.gz YTBFUOYMUASTKP-NSHDSACASA-N 1 0 309.370 1.558 20 5 DDBDRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000362931671 300181647 /nfs/dbraw/zinc/18/16/47/300181647.db2.gz RWJLHNYEROKIGY-NHYWBVRUSA-N 1 0 303.362 1.677 20 5 DDBDRO O=C(NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000364454396 300399373 /nfs/dbraw/zinc/39/93/73/300399373.db2.gz KPTBXFIEPGQNKN-ARFHVFGLSA-N 1 0 317.389 1.823 20 5 DDBDRO Cc1ccc(CN2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1[N+](=O)[O-] ZINC000367461258 300847901 /nfs/dbraw/zinc/84/79/01/300847901.db2.gz UBWYAPNUYYCMIM-NVXWUHKLSA-N 1 0 319.405 1.934 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCC(=O)N[C@H]1C1CC1 ZINC000367461499 300848319 /nfs/dbraw/zinc/84/83/19/300848319.db2.gz AGFZYXPUTXMSJT-CJNGLKHVSA-N 1 0 319.361 1.750 20 5 DDBDRO CSc1ccc(C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)cc1[N+](=O)[O-] ZINC000368194404 300973879 /nfs/dbraw/zinc/97/38/79/300973879.db2.gz QLDLKENEKYIJPA-UWVGGRQHSA-N 1 0 313.354 1.747 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@@H]2CC[N@@H+](C)[C@H]2C1 ZINC000368595230 301061541 /nfs/dbraw/zinc/06/15/41/301061541.db2.gz SIERBSLNASWEIP-STQMWFEESA-N 1 0 321.381 1.042 20 5 DDBDRO Cc1nc(N2CCCN(CC[NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000370531471 301358061 /nfs/dbraw/zinc/35/80/61/301358061.db2.gz PPPXQZFSDKHVFD-UHFFFAOYSA-N 1 0 307.398 1.372 20 5 DDBDRO C[NH+]1CCC2(CCCN2C(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000371310222 301448822 /nfs/dbraw/zinc/44/88/22/301448822.db2.gz HZQKIYLOSCJLET-UHFFFAOYSA-N 1 0 318.377 1.877 20 5 DDBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000375901207 302013161 /nfs/dbraw/zinc/01/31/61/302013161.db2.gz LCRMPXIPYXJENA-DGCLKSJQSA-N 1 0 304.350 1.689 20 5 DDBDRO COCC(C)(C)[N@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000429274588 302387719 /nfs/dbraw/zinc/38/77/19/302387719.db2.gz SUHPMQZQQOBGRC-ZDUSSCGKSA-N 1 0 312.366 1.691 20 5 DDBDRO CO[C@H]1C[C@H]([NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000451497517 302399909 /nfs/dbraw/zinc/39/99/09/302399909.db2.gz MTFPVWVGBVVIKQ-KBPBESRZSA-N 1 0 321.377 1.961 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CC[C@H]1CCOC1 ZINC000515188166 302768073 /nfs/dbraw/zinc/76/80/73/302768073.db2.gz TWBHVUIEZZXMKB-QWHCGFSZSA-N 1 0 310.350 1.351 20 5 DDBDRO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cn1)[N@@H+]1CCC[C@@H](C)C1 ZINC000532134267 303276209 /nfs/dbraw/zinc/27/62/09/303276209.db2.gz VLVVJCLGMXDMNM-VXGBXAGGSA-N 1 0 306.366 1.840 20 5 DDBDRO C[NH+](C)Cc1ccccc1CNC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532407716 303285726 /nfs/dbraw/zinc/28/57/26/303285726.db2.gz JVYBCDBCUZWDSC-UHFFFAOYSA-N 1 0 314.345 1.981 20 5 DDBDRO C[NH+]1CCC(C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)CC1 ZINC000533861468 303323689 /nfs/dbraw/zinc/32/36/89/303323689.db2.gz TZAQEJGGMCOFOJ-UHFFFAOYSA-N 1 0 303.362 1.821 20 5 DDBDRO C[C@H]1CC[N@H+](CCNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000538709535 303389156 /nfs/dbraw/zinc/38/91/56/303389156.db2.gz LQYMPADZIKMSRL-JTQLQIEISA-N 1 0 321.333 1.395 20 5 DDBDRO CC[NH+](CC)CCOCCNC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000544586480 303474655 /nfs/dbraw/zinc/47/46/55/303474655.db2.gz RPXHHXMJXVPXAA-UHFFFAOYSA-N 1 0 323.393 1.991 20 5 DDBDRO CC[NH+](CC)[C@@H](CNC(=O)c1c[nH]nc1[N+](=O)[O-])CC(C)C ZINC000548954181 303600158 /nfs/dbraw/zinc/60/01/58/303600158.db2.gz JXKYLGBSRHPBAC-LLVKDONJSA-N 1 0 311.386 1.804 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)CCCC[NH+](C)C ZINC000552221782 303657619 /nfs/dbraw/zinc/65/76/19/303657619.db2.gz YLQHWURBAGIQAK-UHFFFAOYSA-N 1 0 309.366 1.952 20 5 DDBDRO CC1(C)CCC[C@@H](C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000563000865 303908444 /nfs/dbraw/zinc/90/84/44/303908444.db2.gz PJHTYJPBZZKJFR-TZMCWYRMSA-N 1 0 310.398 1.958 20 5 DDBDRO CCOc1cc(C[NH2+][C@@H](CO)C2CCOCC2)ccc1[N+](=O)[O-] ZINC000361605128 307001029 /nfs/dbraw/zinc/00/10/29/307001029.db2.gz VJGBQLZRGWHJEM-AWEZNQCLSA-N 1 0 324.377 1.871 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000367142503 307087062 /nfs/dbraw/zinc/08/70/62/307087062.db2.gz XKUSYUFGUVJORP-QWHCGFSZSA-N 1 0 307.350 1.115 20 5 DDBDRO O=C1OCC[C@H]1CC[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369004143 307114346 /nfs/dbraw/zinc/11/43/46/307114346.db2.gz YNPZAOVNUMJLEU-NEPJUHHUSA-N 1 0 308.338 1.381 20 5 DDBDRO C[C@@H](C(=O)NC1CC1)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000369490145 307121675 /nfs/dbraw/zinc/12/16/75/307121675.db2.gz AABBQBMBEAYXLH-JTQLQIEISA-N 1 0 307.354 1.095 20 5 DDBDRO O=[N+]([O-])c1cnc(N2CCC[C@@H]2C[N@H+]2CCC[C@@H]2CO)s1 ZINC000374490955 307209099 /nfs/dbraw/zinc/20/90/99/307209099.db2.gz XWLYQRBPCMUFOL-GHMZBOCLSA-N 1 0 312.395 1.477 20 5 DDBDRO O=C1CC[C@@H]([NH2+]CCOc2ccccc2[N+](=O)[O-])[C@H](C2CC2)N1 ZINC000375336846 307222952 /nfs/dbraw/zinc/22/29/52/307222952.db2.gz KHZNEHUTKJQRLA-WBMJQRKESA-N 1 0 319.361 1.620 20 5 DDBDRO O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000376682846 307253468 /nfs/dbraw/zinc/25/34/68/307253468.db2.gz VZXAQRPEQPMCIO-RNCFNFMXSA-N 1 0 320.305 1.327 20 5 DDBDRO C[C@H](NC(=O)[C@@H]1C[C@@H]1[N+](=O)[O-])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000378488376 307289234 /nfs/dbraw/zinc/28/92/34/307289234.db2.gz AUPCEZWOSJWTOI-XZDPQHSOSA-N 1 0 317.389 1.678 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@@H]2CCC[C@@H]2C2CC2)c1 ZINC000566120658 308044012 /nfs/dbraw/zinc/04/40/12/308044012.db2.gz NZFCVTNCOGLAKO-NWANDNLSSA-N 1 0 308.382 1.568 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C[C@H]2CCCC[C@@H]2O)c1 ZINC000569693471 308145987 /nfs/dbraw/zinc/14/59/87/308145987.db2.gz NLTGLWFLHLYCSQ-INWMFGNUSA-N 1 0 324.377 1.475 20 5 DDBDRO CC[NH2+]CCNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000570162078 308160742 /nfs/dbraw/zinc/16/07/42/308160742.db2.gz FTPFCGZQGVPDSP-UHFFFAOYSA-N 1 0 320.393 1.537 20 5 DDBDRO CC(=O)NCCN(C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000570926323 308185810 /nfs/dbraw/zinc/18/58/10/308185810.db2.gz USSXLWXJSGRLBI-UHFFFAOYSA-N 1 0 319.321 1.213 20 5 DDBDRO O=C(N[C@H]1CCC[NH2+]C1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000572619430 308221177 /nfs/dbraw/zinc/22/11/77/308221177.db2.gz MCDDRHKNXGDHPK-LBPRGKRZSA-N 1 0 304.350 1.415 20 5 DDBDRO CCc1ccc(S(=O)(=O)N[C@@H](C)CCC[NH3+])cc1[N+](=O)[O-] ZINC000576345924 308308048 /nfs/dbraw/zinc/30/80/48/308308048.db2.gz VTKWVVQKATZMNL-JTQLQIEISA-N 1 0 315.395 1.563 20 5 DDBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000581000829 308646411 /nfs/dbraw/zinc/64/64/11/308646411.db2.gz FTOVVVNDXKOZRG-STQMWFEESA-N 1 0 304.350 1.346 20 5 DDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H](CC[NH3+])C(F)F ZINC000383322472 325748964 /nfs/dbraw/zinc/74/89/64/325748964.db2.gz SIGIPRJEHIPWSI-MRVPVSSYSA-N 1 0 323.321 1.164 20 5 DDBDRO COCc1ccccc1C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000390313564 325781404 /nfs/dbraw/zinc/78/14/04/325781404.db2.gz WCTCLTATWPROPA-HNNXBMFYSA-N 1 0 320.349 1.088 20 5 DDBDRO COc1cccc(C(=O)N[C@H]2CC[NH2+]CC2(C)C)c1[N+](=O)[O-] ZINC000582057389 325961266 /nfs/dbraw/zinc/96/12/66/325961266.db2.gz JBLVWDMCXCHKHP-LBPRGKRZSA-N 1 0 307.350 1.721 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000584172552 331853124 /nfs/dbraw/zinc/85/31/24/331853124.db2.gz VYAQFJWQHZKYMB-UWVGGRQHSA-N 1 0 308.338 1.084 20 5 DDBDRO C[C@@H](C[NH+](C)C)NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000582625216 337116105 /nfs/dbraw/zinc/11/61/05/337116105.db2.gz BXOPPKXXXBZPQR-NSHDSACASA-N 1 0 306.366 1.613 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC[C@@H](n3cncn3)C2)c1 ZINC000372370479 483933253 /nfs/dbraw/zinc/93/32/53/483933253.db2.gz UBSAKUIZRVSRHK-ZIAGYGMSSA-N 1 0 303.322 1.167 20 5 DDBDRO CC1(C)CCC[C@@H](C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000563000863 484329921 /nfs/dbraw/zinc/32/99/21/484329921.db2.gz PJHTYJPBZZKJFR-OCCSQVGLSA-N 1 0 310.398 1.958 20 5 DDBDRO C[C@@H](C[NH3+])CNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000418478212 533758578 /nfs/dbraw/zinc/75/85/78/533758578.db2.gz WSNRELLKBYDISM-NSHDSACASA-N 1 0 306.366 1.864 20 5 DDBDRO C[C@@H](CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-])C[NH+](C)C ZINC000292569784 534069347 /nfs/dbraw/zinc/06/93/47/534069347.db2.gz IRAAMZBPUKEVSI-NSHDSACASA-N 1 0 315.395 1.212 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCC[N@@H+]2CCO)c1 ZINC000452391875 534318041 /nfs/dbraw/zinc/31/80/41/534318041.db2.gz QQDXVDVQXUWGKZ-CYBMUJFWSA-N 1 0 321.377 1.480 20 5 DDBDRO C[NH2+]C[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000156619687 522088846 /nfs/dbraw/zinc/08/88/46/522088846.db2.gz RXZPLDGFHBKMKD-LLVKDONJSA-N 1 0 313.379 1.276 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c1 ZINC000160302526 525446125 /nfs/dbraw/zinc/44/61/25/525446125.db2.gz DIIIMSJDACSWPD-PHIMTYICSA-N 1 0 305.334 1.570 20 5 DDBDRO CCOC(=O)c1cc(C(=O)NC(C)(C)C[NH3+])cc([N+](=O)[O-])c1 ZINC000422799955 528143433 /nfs/dbraw/zinc/14/34/33/528143433.db2.gz YWWBQPBBCWNMQO-UHFFFAOYSA-N 1 0 309.322 1.239 20 5 DDBDRO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)c1cc([N+](=O)[O-])nn1C ZINC000452345937 528315255 /nfs/dbraw/zinc/31/52/55/528315255.db2.gz SUCQHIRYUBDZIX-LBPRGKRZSA-N 1 0 323.397 1.569 20 5 DDBDRO CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)C1COC1 ZINC000451284266 528399857 /nfs/dbraw/zinc/39/98/57/528399857.db2.gz IIMLKDYLIUGITB-UHFFFAOYSA-N 1 0 323.349 1.653 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H](C[NH2+]C)C1 ZINC000422807325 528691647 /nfs/dbraw/zinc/69/16/47/528691647.db2.gz MGPZFPXJSODFFO-LLVKDONJSA-N 1 0 307.350 1.675 20 5 DDBDRO CCOCC[C@H](O)C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000444657233 528870082 /nfs/dbraw/zinc/87/00/82/528870082.db2.gz KBVXXSFWOBKWDQ-OCCSQVGLSA-N 1 0 324.381 1.264 20 5 DDBDRO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000330930554 529098895 /nfs/dbraw/zinc/09/88/95/529098895.db2.gz PRPHRYSDOXCDLX-WCQYABFASA-N 1 0 323.397 1.371 20 5 DDBDRO CNC(=O)[C@]1(C)CC[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000797415229 700008392 /nfs/dbraw/zinc/00/83/92/700008392.db2.gz SSYYQQVFUSXVGU-OAHLLOKOSA-N 1 0 317.349 1.360 20 5 DDBDRO O=C1OCC[C@H]1CC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000120647298 696698939 /nfs/dbraw/zinc/69/89/39/696698939.db2.gz QAGWSUMBXJLCBW-VXGBXAGGSA-N 1 0 320.349 1.429 20 5 DDBDRO O=[N+]([O-])c1ccc2cnn(CN3CC[NH+](C4CC4)CC3)c2c1 ZINC000129090812 696785015 /nfs/dbraw/zinc/78/50/15/696785015.db2.gz QXPNKLKHZSPELH-UHFFFAOYSA-N 1 0 301.350 1.682 20 5 DDBDRO O=[N+]([O-])c1ccc2cnn(CN3CC[C@H]([NH+]4CC=CC4)C3)c2c1 ZINC000172930844 697373178 /nfs/dbraw/zinc/37/31/78/697373178.db2.gz MXYJMDFIMYXSQG-HNNXBMFYSA-N 1 0 313.361 1.848 20 5 DDBDRO Cc1c(C[NH2+]CCS(=O)(=O)C(C)C)cccc1[N+](=O)[O-] ZINC000232789983 697789697 /nfs/dbraw/zinc/78/96/97/697789697.db2.gz RMGNPILJKJVFNB-UHFFFAOYSA-N 1 0 300.380 1.816 20 5 DDBDRO NC(=O)CC1CC[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776278357 698091618 /nfs/dbraw/zinc/09/16/18/698091618.db2.gz UZBDLHVEAODZCE-AWEZNQCLSA-N 1 0 307.350 1.216 20 5 DDBDRO CN(C)C(=O)C1CC[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776574527 698119452 /nfs/dbraw/zinc/11/94/52/698119452.db2.gz IKUNLTIRNRNAOF-OAHLLOKOSA-N 1 0 321.377 1.428 20 5 DDBDRO C[C@H]1CC[C@H]1[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000783223696 698821242 /nfs/dbraw/zinc/82/12/42/698821242.db2.gz LENNAHKSKZKHNW-GXFFZTMASA-N 1 0 313.379 1.261 20 5 DDBDRO C[C@@H]1CC[C@@H]1[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000783252215 698825601 /nfs/dbraw/zinc/82/56/01/698825601.db2.gz OGFJDAAQFMYAJM-MNOVXSKESA-N 1 0 313.379 1.261 20 5 DDBDRO C[C@@H]1CC[C@H]1[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000783252212 698825854 /nfs/dbraw/zinc/82/58/54/698825854.db2.gz OGFJDAAQFMYAJM-GHMZBOCLSA-N 1 0 313.379 1.261 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@]2(CCC[NH2+]2)C1 ZINC000420403005 699139295 /nfs/dbraw/zinc/13/92/95/699139295.db2.gz MTJVSRAAVPVDJK-MRXNPFEDSA-N 1 0 318.377 1.670 20 5 DDBDRO CC(C)[C@H](C(=O)OCc1ccc(C(N)=O)cc1[N+](=O)[O-])[NH+](C)C ZINC000787959704 699260795 /nfs/dbraw/zinc/26/07/95/699260795.db2.gz GVVPMWQDZLFJFJ-CYBMUJFWSA-N 1 0 323.349 1.323 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CCOC(=O)C1CC[NH+](C2CC2)CC1 ZINC000788178986 699288073 /nfs/dbraw/zinc/28/80/73/699288073.db2.gz GYKUETLJMDMHCK-UHFFFAOYSA-N 1 0 322.365 1.517 20 5 DDBDRO C[C@@H](O)C[C@H]1CCCN1Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000794637351 699820674 /nfs/dbraw/zinc/82/06/74/699820674.db2.gz WINGXHOGAYGTTE-GHMZBOCLSA-N 1 0 321.333 1.696 20 5 DDBDRO CC[N@H+](CCc1ccccn1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000744389666 699947527 /nfs/dbraw/zinc/94/75/27/699947527.db2.gz JYSBOQMZANVFFS-HNNXBMFYSA-N 1 0 319.365 1.112 20 5 DDBDRO CN(C(=O)c1cc([N+](=O)[O-])c(F)cc1N)[C@@H]1C[NH+]2CCC1CC2 ZINC000801891405 700351063 /nfs/dbraw/zinc/35/10/63/700351063.db2.gz YETBZZDKNAVVSN-CQSZACIVSA-N 1 0 322.340 1.482 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)O[C@H]1CCN(CCF)C1 ZINC000802244811 700389342 /nfs/dbraw/zinc/38/93/42/700389342.db2.gz UMIGFNMANCEFHH-NSHDSACASA-N 1 0 312.297 1.804 20 5 DDBDRO COC(=O)C1CCC([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000756036987 700600459 /nfs/dbraw/zinc/60/04/59/700600459.db2.gz RAGSEAQLHVAIPS-SSDMNJCBSA-N 1 0 322.361 1.950 20 5 DDBDRO Cn1cncc1CC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000809571439 701670469 /nfs/dbraw/zinc/67/04/69/701670469.db2.gz RLHTWFJNZSMGOM-UHFFFAOYSA-N 1 0 315.377 1.693 20 5 DDBDRO O=[N+]([O-])c1cnc(NC2CC[NH+](C[C@H]3CCCO3)CC2)nc1 ZINC000760478781 700810393 /nfs/dbraw/zinc/81/03/93/700810393.db2.gz VZMJBGILRQQKLH-CYBMUJFWSA-N 1 0 307.354 1.440 20 5 DDBDRO Cc1c(NC(=O)CCN2CC[N@H+](C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000761074561 700838924 /nfs/dbraw/zinc/83/89/24/700838924.db2.gz CRUHNLGPUIYJJU-LBPRGKRZSA-N 1 0 320.393 1.868 20 5 DDBDRO COC(=O)C[C@]1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCCOC1 ZINC000770672653 701289257 /nfs/dbraw/zinc/28/92/57/701289257.db2.gz BVIWDRBXBMGSMH-OAHLLOKOSA-N 1 0 308.334 1.797 20 5 DDBDRO CC(C)(C(=O)OCCn1cc([N+](=O)[O-])ccc1=O)[NH+]1CCCC1 ZINC000805614034 701400392 /nfs/dbraw/zinc/40/03/92/701400392.db2.gz JXTVQNNEMIFXIB-UHFFFAOYSA-N 1 0 323.349 1.174 20 5 DDBDRO CC[NH+](CC)CCS(=O)(=O)Oc1cc(F)cc([N+](=O)[O-])c1 ZINC000810058367 701717799 /nfs/dbraw/zinc/71/77/99/701717799.db2.gz MYQBXPHHTKESLX-UHFFFAOYSA-N 1 0 320.342 1.784 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2C[N@H+](C)CC[C@@H]2C1 ZINC000812331406 702156020 /nfs/dbraw/zinc/15/60/20/702156020.db2.gz GEWCUHIOLPLCAS-OLZOCXBDSA-N 1 0 303.362 1.927 20 5 DDBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCNC(=O)C1CC1 ZINC000866215833 706651381 /nfs/dbraw/zinc/65/13/81/706651381.db2.gz LYPPSMBTYGOFRN-SNVBAGLBSA-N 1 0 309.341 1.781 20 5 DDBDRO CCOc1cc(C[N@@H+]2CCC[C@@H](CO)[C@H]2CO)ccc1[N+](=O)[O-] ZINC000879364958 706662723 /nfs/dbraw/zinc/66/27/23/706662723.db2.gz ZJJFBQJMNYSSEN-DZGCQCFKSA-N 1 0 324.377 1.559 20 5 DDBDRO Cc1c(C(=O)NCC2([NH+](C)C)CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000841453588 702454981 /nfs/dbraw/zinc/45/49/81/702454981.db2.gz UKOBDJYEGZLLRY-UHFFFAOYSA-N 1 0 322.321 1.635 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000818002070 702549513 /nfs/dbraw/zinc/54/95/13/702549513.db2.gz WFTSSHQIHVUZDA-AWEZNQCLSA-N 1 0 320.393 1.908 20 5 DDBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H](C)C(=O)NCCF ZINC000866355078 706680112 /nfs/dbraw/zinc/68/01/12/706680112.db2.gz SWGFUQRAOHSBGO-UWVGGRQHSA-N 1 0 315.320 1.729 20 5 DDBDRO C[C@@H]1CN(Cc2cc(F)ccc2[N+](=O)[O-])[C@@H](C)C[N@@H+]1CCO ZINC000842160835 702678278 /nfs/dbraw/zinc/67/82/78/702678278.db2.gz AJMTWPHLFCHMIR-NEPJUHHUSA-N 1 0 311.357 1.621 20 5 DDBDRO C[NH2+]CCN(C)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000842473891 702725101 /nfs/dbraw/zinc/72/51/01/702725101.db2.gz PVTWVOANLNCIBT-VIFPVBQESA-N 1 0 314.773 1.726 20 5 DDBDRO C[NH+](C)CCOc1cc(-c2noc([C@@H]3CC3[N+](=O)[O-])n2)ccn1 ZINC000842495628 702728692 /nfs/dbraw/zinc/72/86/92/702728692.db2.gz RACDUFSROOTHEP-GHMZBOCLSA-N 1 0 319.321 1.205 20 5 DDBDRO C[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H](O)C(F)(F)F ZINC000843059764 702809812 /nfs/dbraw/zinc/80/98/12/702809812.db2.gz NBEHKXIQRBRCBI-BKDNQFJXSA-N 1 0 308.256 1.530 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@@H](O)COCC2CC2)c1 ZINC000843068205 702812826 /nfs/dbraw/zinc/81/28/26/702812826.db2.gz LAZJXAYWBFJVEE-HUUCEWRRSA-N 1 0 310.350 1.005 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@H]2CCCN2CCCO)c1 ZINC000843090546 702816930 /nfs/dbraw/zinc/81/69/30/702816930.db2.gz YVEIQYPSSOFPDJ-HZPDHXFCSA-N 1 0 323.393 1.065 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]Cc2cccc(CO)n2)c1 ZINC000843111970 702821170 /nfs/dbraw/zinc/82/11/70/702821170.db2.gz KCUZADDAQOOKDO-HNNXBMFYSA-N 1 0 303.318 1.305 20 5 DDBDRO Cc1n[nH]c(C(=O)NCc2ccc(CC[NH3+])cc2)c1[N+](=O)[O-] ZINC000843326174 702859813 /nfs/dbraw/zinc/85/98/13/702859813.db2.gz DMPAHHSQCMTOFU-UHFFFAOYSA-N 1 0 303.322 1.058 20 5 DDBDRO [NH3+][C@@H](CNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000843452694 702885389 /nfs/dbraw/zinc/88/53/89/702885389.db2.gz ODRUISSXOBFGNG-NSHDSACASA-N 1 0 315.732 1.783 20 5 DDBDRO COc1cccc(C(=O)NOC2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000846651087 703308369 /nfs/dbraw/zinc/30/83/69/703308369.db2.gz YEUWBFHPDCMSMA-UHFFFAOYSA-N 1 0 309.322 1.359 20 5 DDBDRO COc1cc(CCNC(=[NH2+])N2CCC2)c([N+](=O)[O-])cc1OC ZINC000848983115 703606404 /nfs/dbraw/zinc/60/64/04/703606404.db2.gz FRURMKJMEFJDJP-UHFFFAOYSA-N 1 0 308.338 1.385 20 5 DDBDRO C[C@H]1CN(C(=[NH2+])NCCNc2ccccc2[N+](=O)[O-])CCO1 ZINC000848982770 703606607 /nfs/dbraw/zinc/60/66/07/703606607.db2.gz OECSIFNJTWXJSZ-NSHDSACASA-N 1 0 307.354 1.252 20 5 DDBDRO C[NH2+]C[C@@H](C)NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000851657551 703824302 /nfs/dbraw/zinc/82/43/02/703824302.db2.gz FOPBLBIUHACNAZ-MRVPVSSYSA-N 1 0 300.746 1.655 20 5 DDBDRO COC[C@@]1(C(=O)N2CCc3cc(C)c([N+](=O)[O-])cc32)CC[NH2+]C1 ZINC000818608404 703938840 /nfs/dbraw/zinc/93/88/40/703938840.db2.gz CEQZLDSADXADNW-MRXNPFEDSA-N 1 0 319.361 1.418 20 5 DDBDRO O=C(CN1CCC[C@@H]2[NH2+]CC[C@@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000866721747 706775840 /nfs/dbraw/zinc/77/58/40/706775840.db2.gz YMQDNUYUIXUGHH-AAEUAGOBSA-N 1 0 304.350 1.360 20 5 DDBDRO COc1cccc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC000818988205 704044677 /nfs/dbraw/zinc/04/46/77/704044677.db2.gz FVTRBMPXRRNAEC-AWEZNQCLSA-N 1 0 303.318 1.822 20 5 DDBDRO CC1(C)CN(CC[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000818991537 704045197 /nfs/dbraw/zinc/04/51/97/704045197.db2.gz GSQFIKLVIOYCQL-OAHLLOKOSA-N 1 0 323.393 1.329 20 5 DDBDRO C[C@@]12COC[C@]1(C)C[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC000852462034 704054074 /nfs/dbraw/zinc/05/40/74/704054074.db2.gz DVBMLBUWUZIDOQ-OAGGEKHMSA-N 1 0 306.362 1.987 20 5 DDBDRO C[C@H](C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)CN1CCOCC1 ZINC000819089592 704068607 /nfs/dbraw/zinc/06/86/07/704068607.db2.gz LVKDNZMCTDUMQG-CZUORRHYSA-N 1 0 323.393 1.186 20 5 DDBDRO CCNC(=O)N1CC[C@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819160931 704078336 /nfs/dbraw/zinc/07/83/36/704078336.db2.gz NUAIJFIRMIYMBX-JSGCOSHPSA-N 1 0 322.365 1.022 20 5 DDBDRO Cc1cc(C)cc([C@@H](O)C[NH2+]CCn2cc([N+](=O)[O-])cn2)c1 ZINC000819177585 704082269 /nfs/dbraw/zinc/08/22/69/704082269.db2.gz URNHUJJIMFFHQA-HNNXBMFYSA-N 1 0 304.350 1.731 20 5 DDBDRO CCOC(=O)N1CC[C@@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000819240041 704092767 /nfs/dbraw/zinc/09/27/67/704092767.db2.gz ZBCJQGUZDWSKED-TZMCWYRMSA-N 1 0 323.349 1.449 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCC2(O)CCOCC2)c1 ZINC000819303599 704103909 /nfs/dbraw/zinc/10/39/09/704103909.db2.gz GSSYCIVBROPJRP-CQSZACIVSA-N 1 0 310.350 1.149 20 5 DDBDRO CC(C)[C@H]([NH3+])CCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000852866643 704153767 /nfs/dbraw/zinc/15/37/67/704153767.db2.gz JLPLKWTWBFBBGF-GFCCVEGCSA-N 1 0 310.310 1.606 20 5 DDBDRO C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000820272081 704250323 /nfs/dbraw/zinc/25/03/23/704250323.db2.gz JGIOFBOYOXQOLY-ARLBYUKCSA-N 1 0 315.373 1.861 20 5 DDBDRO C[C@]12COC[C@@H]1C[N@H+](Cn1ncc3cc([N+](=O)[O-])ccc31)C2 ZINC000853565545 704271958 /nfs/dbraw/zinc/27/19/58/704271958.db2.gz HBZNGGOPEKKTDR-WFASDCNBSA-N 1 0 302.334 1.870 20 5 DDBDRO O=[N+]([O-])c1c(F)cccc1N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000853966061 704341813 /nfs/dbraw/zinc/34/18/13/704341813.db2.gz OJKQAYIGDGTFDD-LBPRGKRZSA-N 1 0 309.341 1.769 20 5 DDBDRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)CCc3cc(F)ccc3[N+](=O)[O-])C[C@H]21 ZINC000821753139 704438734 /nfs/dbraw/zinc/43/87/34/704438734.db2.gz ARVMFZLZBQEISZ-VIKVFOODSA-N 1 0 321.352 1.685 20 5 DDBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N(C)C[C@@H](C)[NH3+] ZINC000858642256 704738829 /nfs/dbraw/zinc/73/88/29/704738829.db2.gz JJXRZICEWQEHTD-MRVPVSSYSA-N 1 0 321.786 1.524 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)c1 ZINC000859888455 705030788 /nfs/dbraw/zinc/03/07/88/705030788.db2.gz CTVTWRWJGBRGTR-CQHMPISHSA-N 1 0 324.402 1.614 20 5 DDBDRO Cc1nc([N+](=O)[O-])c(-c2noc([C@@H](C(C)C)[C@H](C)[NH3+])n2)n1C ZINC000823094311 705137163 /nfs/dbraw/zinc/13/71/63/705137163.db2.gz OGRQNGZCDWYFIQ-CBAPKCEASA-N 1 0 308.342 1.774 20 5 DDBDRO CC[N@@H+]1CC[C@H](CNC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000825378901 705657912 /nfs/dbraw/zinc/65/79/12/705657912.db2.gz IXCDWRQYSZWIDU-BXUZGUMPSA-N 1 0 307.350 1.086 20 5 DDBDRO CN(C)c1cc(F)c(C(=O)N[C@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000825516808 705685158 /nfs/dbraw/zinc/68/51/58/705685158.db2.gz BZNKDTUXRGIELF-JTQLQIEISA-N 1 0 324.356 1.624 20 5 DDBDRO C[N@@H+]1CCCC[C@H](CNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000862794086 705799644 /nfs/dbraw/zinc/79/96/44/705799644.db2.gz WHCSEKRSFCUHTG-SNVBAGLBSA-N 1 0 324.356 1.778 20 5 DDBDRO COCC[N@H+]1[C@H](C)CN(c2ncc(C)cc2[N+](=O)[O-])C[C@@H]1C ZINC000826632670 705830578 /nfs/dbraw/zinc/83/05/78/705830578.db2.gz KJCIIHZLGNBSCP-BETUJISGSA-N 1 0 308.382 1.844 20 5 DDBDRO O=C(CCc1cc(F)ccc1[N+](=O)[O-])N1CC[C@H]([NH+]2CCC2)C1 ZINC000826949581 705897467 /nfs/dbraw/zinc/89/74/67/705897467.db2.gz JODFKRNILPMATJ-AWEZNQCLSA-N 1 0 321.352 1.973 20 5 DDBDRO Cc1nccn1C[C@@H](C)C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000876916674 705922565 /nfs/dbraw/zinc/92/25/65/705922565.db2.gz XVTHBLQUPOSMHX-XGNXJENSSA-N 1 0 318.381 1.926 20 5 DDBDRO CCN(CC[NH3+])[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000863550639 705955227 /nfs/dbraw/zinc/95/52/27/705955227.db2.gz CKLIPMHOHHRPHP-SECBINFHSA-N 1 0 314.773 1.856 20 5 DDBDRO CCCc1n[nH]c(C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000827321189 705974764 /nfs/dbraw/zinc/97/47/64/705974764.db2.gz USKDPSJOXSECDK-ZYHUDNBSSA-N 1 0 321.381 1.437 20 5 DDBDRO Cc1ccc(CNC(=O)CO[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000877242021 706030563 /nfs/dbraw/zinc/03/05/63/706030563.db2.gz ZUHSPVHOAJPYIE-ZDUSSCGKSA-N 1 0 307.350 1.288 20 5 DDBDRO [NH3+]C[C@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)C[C@H]1C(F)(F)F ZINC000877369821 706083469 /nfs/dbraw/zinc/08/34/69/706083469.db2.gz OGHGBXWOEZLHOO-JGVFFNPUSA-N 1 0 323.296 1.866 20 5 DDBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CC[C@@H](O)[C@@H](O)C3)o2)cc1 ZINC000877748900 706198018 /nfs/dbraw/zinc/19/80/18/706198018.db2.gz MAMJUNYPHFAXLM-CABCVRRESA-N 1 0 318.329 1.782 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(c3cc4c(cc3[N+](=O)[O-])CCC(=O)N4)C[C@@H]21 ZINC000828987849 706269241 /nfs/dbraw/zinc/26/92/41/706269241.db2.gz MILATVXCDXSPJQ-ABAIWWIYSA-N 1 0 316.361 1.620 20 5 DDBDRO CC(C)(O)[C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000879963213 706836513 /nfs/dbraw/zinc/83/65/13/706836513.db2.gz HFZJRASPROHBAM-GFCCVEGCSA-N 1 0 309.366 1.239 20 5 DDBDRO Cn1cc(CN2CCC[C@@H]([NH2+]C3CCOCC3)C2)c([N+](=O)[O-])n1 ZINC000880201953 706909001 /nfs/dbraw/zinc/90/90/01/706909001.db2.gz DJZYDBZVXIJABR-CQSZACIVSA-N 1 0 323.397 1.061 20 5 DDBDRO CC(C)C[C@@H](C(N)=O)[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000880588428 707029358 /nfs/dbraw/zinc/02/93/58/707029358.db2.gz VKFNAUSSHQMVJX-AWEZNQCLSA-N 1 0 309.366 1.805 20 5 DDBDRO COCCN(C)C(=[NH2+])NCc1cc([N+](=O)[O-])ccc1Cl ZINC000871604501 707137567 /nfs/dbraw/zinc/13/75/67/707137567.db2.gz FIHAHMNPOLFLDB-UHFFFAOYSA-N 1 0 300.746 1.851 20 5 DDBDRO C[NH+](C)CCc1cn(C[C@H](O)c2ccc([N+](=O)[O-])cc2)nn1 ZINC000881398420 707235470 /nfs/dbraw/zinc/23/54/70/707235470.db2.gz SHYYAHZMLBMJEZ-AWEZNQCLSA-N 1 0 305.338 1.024 20 5 DDBDRO COC[C@@H](O)C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872071219 707287751 /nfs/dbraw/zinc/28/77/51/707287751.db2.gz ZXMVTIIRXADMFQ-KOLCDFICSA-N 1 0 300.380 1.975 20 5 DDBDRO CC(=O)c1c([N+](=O)[O-])cccc1N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000882545525 707689934 /nfs/dbraw/zinc/68/99/34/707689934.db2.gz IRGPGBGCLFYQDU-NWDGAFQWSA-N 1 0 305.334 1.053 20 5 DDBDRO O=[N+]([O-])c1cccnc1N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000882724869 707762309 /nfs/dbraw/zinc/76/23/09/707762309.db2.gz DWDUEFDRJPEARA-ZDUSSCGKSA-N 1 0 306.366 1.727 20 5 DDBDRO C[N@H+](CCNc1c(F)cccc1[N+](=O)[O-])CCOCCO ZINC000882951865 707867816 /nfs/dbraw/zinc/86/78/16/707867816.db2.gz YLMGDUATTKSAOJ-UHFFFAOYSA-N 1 0 301.318 1.087 20 5 DDBDRO Cc1c(C[NH2+]CC[C@@H]2CCCS2(=O)=O)cccc1[N+](=O)[O-] ZINC000883296305 707967937 /nfs/dbraw/zinc/96/79/37/707967937.db2.gz JOXDOXPSGCWSRT-ZDUSSCGKSA-N 1 0 312.391 1.960 20 5 DDBDRO C[C@@H](CNC(=O)N(C)CC[NH+](C)C)c1ccccc1[N+](=O)[O-] ZINC000897067613 708222613 /nfs/dbraw/zinc/22/26/13/708222613.db2.gz NHRYCZFYRLXMPP-LBPRGKRZSA-N 1 0 308.382 1.901 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)c(F)c1 ZINC000897220528 708258645 /nfs/dbraw/zinc/25/86/45/708258645.db2.gz XCDXIFYUDIIXLQ-HUUCEWRRSA-N 1 0 309.341 1.769 20 5 DDBDRO Nc1ccc([N+](=O)[O-])c(N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)c1 ZINC000897221125 708259319 /nfs/dbraw/zinc/25/93/19/708259319.db2.gz HMEGXJYBBURCKT-QWHCGFSZSA-N 1 0 306.366 1.212 20 5 DDBDRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1Cc1cccnc1[N+](=O)[O-] ZINC000886157758 708707618 /nfs/dbraw/zinc/70/76/18/708707618.db2.gz KFGJKHKYDKQAQJ-LBPRGKRZSA-N 1 0 308.382 1.267 20 5 DDBDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3cccnc3[N+](=O)[O-])[C@@H]2C1 ZINC000886208182 708715270 /nfs/dbraw/zinc/71/52/70/708715270.db2.gz XYPRVEMGSLNQCV-ZNMIVQPWSA-N 1 0 318.377 1.726 20 5 DDBDRO CN(CC[N@H+](C)CCO)C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000912612519 713050267 /nfs/dbraw/zinc/05/02/67/713050267.db2.gz RTHOHRHENVZOGH-UHFFFAOYSA-N 1 0 315.757 1.244 20 5 DDBDRO CCN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@H]1CC[NH2+]C1 ZINC000886854489 708865040 /nfs/dbraw/zinc/86/50/40/708865040.db2.gz QFPKZAHRCFWXSB-ZDUSSCGKSA-N 1 0 317.349 1.829 20 5 DDBDRO O=C(NC[C@@H]1C[NH2+]CCC1(F)F)Nc1cccc([N+](=O)[O-])c1 ZINC000886925344 708895574 /nfs/dbraw/zinc/89/55/74/708895574.db2.gz SAPMTMMWHCDUPL-VIFPVBQESA-N 1 0 314.292 1.961 20 5 DDBDRO COc1cc(C(=O)N2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)ccc1[N+](=O)[O-] ZINC000887934705 709170640 /nfs/dbraw/zinc/17/06/40/709170640.db2.gz RIIMWUNMHUKSCD-BLLLJJGKSA-N 1 0 319.361 1.627 20 5 DDBDRO C[C@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000912813475 713098744 /nfs/dbraw/zinc/09/87/44/713098744.db2.gz KOQGYJVXSIIJNE-OLZOCXBDSA-N 1 0 323.397 1.370 20 5 DDBDRO C[C@H](NC(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000900267537 709512661 /nfs/dbraw/zinc/51/26/61/709512661.db2.gz HQYHBQJVYCXDMH-PSOPSSQASA-N 1 0 307.350 1.227 20 5 DDBDRO CC1(C)CC[N@H+](CCNC(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000890082150 709740444 /nfs/dbraw/zinc/74/04/44/709740444.db2.gz RSEFMSSHZXYRCB-UHFFFAOYSA-N 1 0 321.377 1.822 20 5 DDBDRO CCN(C(=O)NCCc1ccc([N+](=O)[O-])cc1)[C@H]1CC[NH2+]C1 ZINC000891409255 710189987 /nfs/dbraw/zinc/18/99/87/710189987.db2.gz GFSBRXSVCHIFGH-AWEZNQCLSA-N 1 0 306.366 1.531 20 5 DDBDRO CC[NH+](CC)CCO[C@@H]1CCN(c2c([N+](=O)[O-])cnn2C)C1 ZINC000892774098 710496500 /nfs/dbraw/zinc/49/65/00/710496500.db2.gz HNBGOPDWJDENCO-GFCCVEGCSA-N 1 0 311.386 1.265 20 5 DDBDRO C[C@H]1[C@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC[N@@H+]1C ZINC000928453737 713204238 /nfs/dbraw/zinc/20/42/38/713204238.db2.gz PVXJLFAKZKTQIB-GXSJLCMTSA-N 1 0 321.333 1.188 20 5 DDBDRO C[C@@H]1[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CC[N@@H+]1C ZINC000928455746 713204386 /nfs/dbraw/zinc/20/43/86/713204386.db2.gz UMMYINBGMWZOOQ-MFKMUULPSA-N 1 0 306.366 1.483 20 5 DDBDRO CN(C(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2)[C@@H]1CC[NH2+]C1 ZINC000911783479 710985245 /nfs/dbraw/zinc/98/52/45/710985245.db2.gz UVEFXYACEMCOOT-SNVBAGLBSA-N 1 0 321.333 1.190 20 5 DDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]CCO[C@@H]3CCCCO3)C2)c1 ZINC000894793859 711273992 /nfs/dbraw/zinc/27/39/92/711273992.db2.gz LAHBHQPBTCPYHG-ORHYLEIMSA-N 1 0 310.354 1.628 20 5 DDBDRO C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000913537190 713249007 /nfs/dbraw/zinc/24/90/07/713249007.db2.gz BEDZHJBYPGYZFT-TXEJJXNPSA-N 1 0 314.345 1.995 20 5 DDBDRO O=c1[nH]ccc(N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)c1[N+](=O)[O-] ZINC000895570436 711545585 /nfs/dbraw/zinc/54/55/85/711545585.db2.gz SYKVXOBFCDZVIF-ONGXEEELSA-N 1 0 310.379 1.687 20 5 DDBDRO C[N@@H+]1CC[C@@H]1CNc1ccc([N+](=O)[O-])cc1N1CCOC1=O ZINC000895772278 711602452 /nfs/dbraw/zinc/60/24/52/711602452.db2.gz ZYXTUVJTQIPHRH-LLVKDONJSA-N 1 0 306.322 1.667 20 5 DDBDRO COc1c(O)ccc(CN2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000895844010 711623523 /nfs/dbraw/zinc/62/35/23/711623523.db2.gz QUPOVPYPHJETEN-DGCLKSJQSA-N 1 0 321.377 1.835 20 5 DDBDRO COC[C@H]1C[C@@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000905429210 712035597 /nfs/dbraw/zinc/03/55/97/712035597.db2.gz GSZGQJXSFXYWBD-FRRDWIJNSA-N 1 0 310.350 1.349 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@H]2CCC=CCCC2)c1 ZINC000905678948 712115965 /nfs/dbraw/zinc/11/59/65/712115965.db2.gz NPTAHICZIFUGCZ-DZGCQCFKSA-N 1 0 308.382 1.878 20 5 DDBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCN(C)C1 ZINC000906525210 712346972 /nfs/dbraw/zinc/34/69/72/712346972.db2.gz KYYLDKMQAIURTE-YPMHNXCESA-N 1 0 306.366 1.606 20 5 DDBDRO [NH3+]C[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000906628826 712374183 /nfs/dbraw/zinc/37/41/83/712374183.db2.gz XGXJDPXPTIMCQD-NILFDRSVSA-N 1 0 303.362 1.896 20 5 DDBDRO C[NH+](C)CCCOC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000915280874 713415330 /nfs/dbraw/zinc/41/53/30/713415330.db2.gz QETHTIKCAKLMAH-UHFFFAOYSA-N 1 0 306.322 1.439 20 5 DDBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2cnc3n2CCOC3)cc1 ZINC000921687013 713843218 /nfs/dbraw/zinc/84/32/18/713843218.db2.gz VGUNCYASVDOMRQ-UHFFFAOYSA-N 1 0 302.334 1.654 20 5 DDBDRO C[C@@H]1CC[C@@H](C(N)=O)[C@@H](C)[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000930916134 713958163 /nfs/dbraw/zinc/95/81/63/713958163.db2.gz NJSYFAHHVAZXLF-LALPHHSUSA-N 1 0 321.377 1.948 20 5 DDBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)CCOc1cc(C)ccc1[N+](=O)[O-] ZINC000922164753 713980139 /nfs/dbraw/zinc/98/01/39/713980139.db2.gz RHRWMDDCHAYKRJ-CYBMUJFWSA-N 1 0 321.377 1.883 20 5 DDBDRO COc1ccc(OCCN2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)c([N+](=O)[O-])c1 ZINC000931279362 714055616 /nfs/dbraw/zinc/05/56/16/714055616.db2.gz HFVKPPAHGKLLHC-VIKVFOODSA-N 1 0 321.377 1.474 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(c2ccn(C)n2)CC1 ZINC000932141520 714270110 /nfs/dbraw/zinc/27/01/10/714270110.db2.gz LIAPGPNXMGDLSC-UHFFFAOYSA-N 1 0 318.381 1.713 20 5 DDBDRO C[C@@H]1CN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H](C)[NH2+]1 ZINC000923286793 714297781 /nfs/dbraw/zinc/29/77/81/714297781.db2.gz PCZABFKHFGRYKO-YRGRVCCFSA-N 1 0 309.366 1.017 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1[C@H](C)C[NH2+][C@@H](C)[C@H]1C ZINC000923443372 714357567 /nfs/dbraw/zinc/35/75/67/714357567.db2.gz QUGZMAPDUURDLG-FRRDWIJNSA-N 1 0 320.393 1.912 20 5 DDBDRO O=[N+]([O-])c1cccc(CN2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)c1 ZINC000934255650 714776420 /nfs/dbraw/zinc/77/64/20/714776420.db2.gz UYKMPXXWQJCOLF-HOTGVXAUSA-N 1 0 305.378 1.626 20 5 DDBDRO O=[N+]([O-])c1ccc(CN2CC[C@H]3[C@H]2CCC[N@H+]3CCO)c(F)c1 ZINC000934257579 714777095 /nfs/dbraw/zinc/77/70/95/714777095.db2.gz AMTVHBOVCKWFIH-CVEARBPZSA-N 1 0 323.368 1.765 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCCC12CC[NH+](C)CC2 ZINC000935189221 714999165 /nfs/dbraw/zinc/99/91/65/714999165.db2.gz IEPHQNXKSUORHB-UHFFFAOYSA-N 1 0 321.381 1.187 20 5 DDBDRO [NH3+][C@@H]1[C@H]2CN(C(F)(F)c3cnc(Cl)c([N+](=O)[O-])c3)C[C@H]21 ZINC001164440168 718983312 /nfs/dbraw/zinc/98/33/12/718983312.db2.gz KCKMOIPSWWXGTC-QMSLJYSESA-N 1 0 304.684 1.581 20 5 DDBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)n1 ZINC001164664954 719386259 /nfs/dbraw/zinc/38/62/59/719386259.db2.gz DCKYTSDPZIORCL-MNOVXSKESA-N 1 0 312.757 1.471 20 5 DDBDRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1ncc([N+](=O)[O-])cc1F ZINC001164930431 721858728 /nfs/dbraw/zinc/85/87/28/721858728.db2.gz RWYUQDGNAVTDLZ-UONOGXRCSA-N 1 0 323.372 1.344 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CCC(C[NH+](C)C)CC2)n1 ZINC000391406469 721951260 /nfs/dbraw/zinc/95/12/60/721951260.db2.gz LBXXZPIAIOPKCG-UHFFFAOYSA-N 1 0 322.365 1.554 20 5 DDBDRO O=C(NCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1cccc(=O)[nH]1 ZINC001125295907 732450543 /nfs/dbraw/zinc/45/05/43/732450543.db2.gz GKQAPJFGQVTTJE-UHFFFAOYSA-N 1 0 316.317 1.215 20 5 DDBDRO Cc1ccn(C)c1C(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001126255686 738776949 /nfs/dbraw/zinc/77/69/49/738776949.db2.gz RFWQGZLIMRZADH-UHFFFAOYSA-N 1 0 316.361 1.761 20 5 DDBDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cc1 ZINC001022064128 734369153 /nfs/dbraw/zinc/36/91/53/734369153.db2.gz XKHQPPYEWWEVAF-AYRXBEOTSA-N 1 0 319.361 1.097 20 5 DDBDRO Cc1cc(C(=O)NCCNCc2c([N+](=O)[O-])ncn2C)oc1C ZINC001125696986 735254294 /nfs/dbraw/zinc/25/42/94/735254294.db2.gz XSWFNJQWJRHRHL-UHFFFAOYSA-N 1 0 321.337 1.058 20 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/nfs/dbraw/zinc/19/91/36/739199136.db2.gz QFTWZFJHFOGNAQ-SNVBAGLBSA-N 1 0 312.326 1.081 20 5 DDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCCC1 ZINC001029305295 740551351 /nfs/dbraw/zinc/55/13/51/740551351.db2.gz WZNXKQQAYMIZCN-LXTVHRRPSA-N 1 0 307.394 1.517 20 5 DDBDRO O=C(NCC[NH2+]Cc1ccc(C2CC2)cc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126936687 742843344 /nfs/dbraw/zinc/84/33/44/742843344.db2.gz QNVWCHKUDWDVRO-HUUCEWRRSA-N 1 0 303.362 1.435 20 5 DDBDRO Cc1cn(C)nc1C(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001126949644 743007317 /nfs/dbraw/zinc/00/73/17/743007317.db2.gz UTPQBXGHBZEKCM-UHFFFAOYSA-N 1 0 323.378 1.218 20 5 DDBDRO CC(C)SCC(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001123774816 746819726 /nfs/dbraw/zinc/81/97/26/746819726.db2.gz PHGMIECCGHDFMA-UHFFFAOYSA-N 1 0 311.407 1.942 20 5 DDBDRO O=C(NCC1C[NH+](CCC2CCCCC2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001031662271 747336345 /nfs/dbraw/zinc/33/63/45/747336345.db2.gz ZWCNLFKCGHSZQU-HUUCEWRRSA-N 1 0 309.410 1.670 20 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ZINC001168991553 762165981 /nfs/dbraw/zinc/16/59/81/762165981.db2.gz HISNSTPZWMPBIS-TZMCWYRMSA-N 1 0 312.414 1.604 20 5 DDBDRO CN(C(=O)OC(C)(C)C)C1C[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169008180 762175733 /nfs/dbraw/zinc/17/57/33/762175733.db2.gz RQIOUSNGYQHUKJ-NEPJUHHUSA-N 1 0 313.398 1.983 20 5 DDBDRO NC(=O)c1ccccc1OCC[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168986982 762179837 /nfs/dbraw/zinc/17/98/37/762179837.db2.gz GVWFIXSFOHTLDA-NEPJUHHUSA-N 1 0 307.350 1.199 20 5 DDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CCN(c3cccc(O)c3)CC2)C1 ZINC001169035859 762191715 /nfs/dbraw/zinc/19/17/15/762191715.db2.gz DMWYNGJJMXISHV-DZGCQCFKSA-N 1 0 305.378 1.960 20 5 DDBDRO CC(C)NC(=O)N[C@H]1CCC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169052515 762208015 /nfs/dbraw/zinc/20/80/15/762208015.db2.gz GSFVCUQYRVUDRY-MELADBBJSA-N 1 0 312.414 1.604 20 5 DDBDRO COc1ccc(N2CC[NH+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)nc1 ZINC001169057472 762211349 /nfs/dbraw/zinc/21/13/49/762211349.db2.gz VUCAIDMSGOIVMH-KBPBESRZSA-N 1 0 320.393 1.658 20 5 DDBDRO O=C(Cc1ncc[nH]1)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001169204469 762277375 /nfs/dbraw/zinc/27/73/75/762277375.db2.gz LADHWZJASQCWSC-UHFFFAOYSA-N 1 0 317.349 1.157 20 5 DDBDRO Cc1cc(C[NH3+])nn1-c1nccc(Br)c1[N+](=O)[O-] ZINC001163986037 755637832 /nfs/dbraw/zinc/63/78/32/755637832.db2.gz PIJDFXDBJPRNBI-UHFFFAOYSA-N 1 0 312.127 1.705 20 5 DDBDRO Cc1ccnc(N[C@H]2C[C@@H](NC(=O)CC[NH+](C)C)C2)c1[N+](=O)[O-] ZINC001097251462 757034151 /nfs/dbraw/zinc/03/41/51/757034151.db2.gz CLIKMJOHPCBKHH-TXEJJXNPSA-N 1 0 321.381 1.309 20 5 DDBDRO COCC(C)(C)C(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001131322013 767989527 /nfs/dbraw/zinc/98/95/27/767989527.db2.gz VDFVQUIFSFFMNE-UHFFFAOYSA-N 1 0 309.366 1.473 20 5 DDBDRO Cc1cc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)sn1 ZINC001086363087 761493069 /nfs/dbraw/zinc/49/30/69/761493069.db2.gz AVCAZONRFHSKGR-FPQZTECRSA-N 1 0 324.406 1.101 20 5 DDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CC[NH+](CC1CCC1)CC2 ZINC001050516691 763694154 /nfs/dbraw/zinc/69/41/54/763694154.db2.gz GSWDXHAFCHASRI-ZIAGYGMSSA-N 1 0 307.394 1.376 20 5 DDBDRO Cc1cnc(NCCCN(C)C(=O)CC[NH+](C)C)c([N+](=O)[O-])c1 ZINC001109616924 763881649 /nfs/dbraw/zinc/88/16/49/763881649.db2.gz UXKLJOAJXHVZEX-UHFFFAOYSA-N 1 0 323.397 1.510 20 5 DDBDRO C[C@@H](Nc1nc2c(cc1[N+](=O)[O-])CCCC2)[C@@H]1C[NH2+]CCO1 ZINC001170568510 768179297 /nfs/dbraw/zinc/17/92/97/768179297.db2.gz IOMXDFURLZYDST-YGRLFVJLSA-N 1 0 306.366 1.657 20 5 DDBDRO COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2CC(=O)N(C)C2)c([N+](=O)[O-])c1 ZINC001170306436 766230159 /nfs/dbraw/zinc/23/01/59/766230159.db2.gz VDGIMTPRFWKBJP-NEPJUHHUSA-N 1 0 321.377 1.602 20 5 DDBDRO COc1ccc(C[C@H](C)[N@@H+]2CC[C@@H](CO)[C@H](O)C2)c([N+](=O)[O-])c1 ZINC001170334308 766256418 /nfs/dbraw/zinc/25/64/18/766256418.db2.gz CAJBUYDAPHSDCN-DETPVDSQSA-N 1 0 324.377 1.210 20 5 DDBDRO COc1ccc(C[C@H](C)[N@@H+]2CC[C@H](CO)[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC001170334310 766256503 /nfs/dbraw/zinc/25/65/03/766256503.db2.gz CAJBUYDAPHSDCN-GHJWDPDVSA-N 1 0 324.377 1.210 20 5 DDBDRO CCOC(=O)C1C[NH2+]CCC1=Nc1ncc([N+](=O)[O-])cc1OC ZINC001170513689 767729734 /nfs/dbraw/zinc/72/97/34/767729734.db2.gz VRFXCNAOYHIKMA-UHFFFAOYSA-N 1 0 322.321 1.221 20 5 DDBDRO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1cc([N+](=O)[O-])cc2cc[nH]c21 ZINC001170873919 771806024 /nfs/dbraw/zinc/80/60/24/771806024.db2.gz LJLFZNRJNRSQFT-DGCLKSJQSA-N 1 0 318.333 1.639 20 5 DDBDRO CCOC(=O)CN(CC[NH3+])c1ccc([N+](=O)[O-])c(OCC)c1 ZINC001170996111 772050982 /nfs/dbraw/zinc/05/09/82/772050982.db2.gz JMYYQHFLGRFIDV-UHFFFAOYSA-N 1 0 311.338 1.322 20 5 DDBDRO [NH3+]CCc1ncn([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)n1 ZINC001172897591 776914292 /nfs/dbraw/zinc/91/42/92/776914292.db2.gz ARUIHNCKOGHHHN-CYBMUJFWSA-N 1 0 301.350 1.808 20 5 DDBDRO CC1(C)C(=O)NC[C@@H]1[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172908414 776918456 /nfs/dbraw/zinc/91/84/56/776918456.db2.gz MMVXANSWIMIPJZ-ZFWWWQNUSA-N 1 0 317.389 1.956 20 5 DDBDRO CN1CCO[C@H](C[NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172895214 776928404 /nfs/dbraw/zinc/92/84/04/776928404.db2.gz AYIGQSIEDYMMOK-DOTOQJQBSA-N 1 0 319.405 1.762 20 5 DDBDRO CN(C)C(=O)C1C[NH+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172915558 776929984 /nfs/dbraw/zinc/92/99/84/776929984.db2.gz PAISNNZYDNQIAO-OAHLLOKOSA-N 1 0 317.389 1.862 20 5 DDBDRO COC(=O)[C@@H]1COCC[C@@H]1[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173230163 777063542 /nfs/dbraw/zinc/06/35/42/777063542.db2.gz RISSTAQAWWECAY-GLQYFDAESA-N 1 0 322.361 1.694 20 5 DDBDRO Cc1cnc(NCCN(C)C(=O)CCC[NH+](C)C)c([N+](=O)[O-])c1 ZINC001101939267 777703794 /nfs/dbraw/zinc/70/37/94/777703794.db2.gz XFDXLEDPFOUEOG-UHFFFAOYSA-N 1 0 323.397 1.510 20 5 DDBDRO C[NH+](C)[C@@H](CC(=O)Nc1cc([N+](=O)[O-])n[nH]1)c1ccccc1 ZINC001177805823 778744338 /nfs/dbraw/zinc/74/43/38/778744338.db2.gz GJRURAVGACIPMW-NSHDSACASA-N 1 0 303.322 1.949 20 5 DDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC001116230210 780486887 /nfs/dbraw/zinc/48/68/87/780486887.db2.gz URPUVMHRCBKOMS-MNOVXSKESA-N 1 0 318.377 1.992 20 5 DDBDRO CC(=O)N1CCC[C@@H](C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C1 ZINC001119301649 781399901 /nfs/dbraw/zinc/39/99/01/781399901.db2.gz GLIFXJSNGKHQSL-HSBZDZAISA-N 1 0 321.381 1.343 20 5 DDBDRO Cc1nc(N2CCC([N@H+]3CCOC[C@@H]3C)CC2)ncc1[N+](=O)[O-] ZINC001119342777 781413506 /nfs/dbraw/zinc/41/35/06/781413506.db2.gz LAYZBZHCMZPXDL-NSHDSACASA-N 1 0 321.381 1.383 20 5 DDBDRO C[N@@H+]1CC[C@](O)(CNc2ncc([N+](=O)[O-])c3ccccc32)C1 ZINC001119413170 781442490 /nfs/dbraw/zinc/44/24/90/781442490.db2.gz PBJHAYAPGGBKSI-HNNXBMFYSA-N 1 0 302.334 1.622 20 5 DDBDRO Cc1ccc(C[N@H+](CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C2CC2)cc1 ZINC001267326084 837830775 /nfs/dbraw/zinc/83/07/75/837830775.db2.gz PDVRSBMTLXLLPH-HZPDHXFCSA-N 1 0 317.389 1.741 20 5 DDBDRO CC(C)OCC(=O)NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001269384083 841585730 /nfs/dbraw/zinc/58/57/30/841585730.db2.gz VNYDIVOKHZNRIO-UHFFFAOYSA-N 1 0 321.377 1.758 20 5 DDBDRO CCOc1nc(N[C@@H](C)CN2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC001154752696 861426648 /nfs/dbraw/zinc/42/66/48/861426648.db2.gz STDCDUOMQLMHFM-NSHDSACASA-N 1 0 309.370 1.094 20 5 DDBDRO COC(=O)c1ccnc(NC[C@H]2CCC[NH2+]C[C@H]2C)c1[N+](=O)[O-] ZINC001155026822 861659709 /nfs/dbraw/zinc/65/97/09/861659709.db2.gz VUYOPCBWPZNKKN-GHMZBOCLSA-N 1 0 322.365 1.824 20 5 DDBDRO COCCCC(=O)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001155045220 861674021 /nfs/dbraw/zinc/67/40/21/861674021.db2.gz WAOAMNBIIBCKAD-UHFFFAOYSA-N 1 0 309.366 1.617 20 5 DDBDRO O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1NC[C@]1(F)CCCC[NH2+]C1 ZINC001155115720 861749130 /nfs/dbraw/zinc/74/91/30/861749130.db2.gz CEXIJBQVSGVPRE-LBPRGKRZSA-N 1 0 318.736 1.775 20 5 DDBDRO O=C(NCCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1ccon1 ZINC001155144129 861771489 /nfs/dbraw/zinc/77/14/89/861771489.db2.gz YULPPEKFQTZMAE-UHFFFAOYSA-N 1 0 304.306 1.493 20 5 DDBDRO O=C1C[C@@H]2[NH2+]CC[C@]2(Nc2ccc3ccc4cccnc4c3n2)N1 ZINC001155571850 862238744 /nfs/dbraw/zinc/23/87/44/862238744.db2.gz UNHPSGOGMWDPIK-UGSOOPFHSA-N 1 0 319.368 1.773 20 5 DDBDRO C[NH+](C)CCONC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001328372956 862932956 /nfs/dbraw/zinc/93/29/56/862932956.db2.gz PCXHSPRTTHTDPJ-UHFFFAOYSA-N 1 0 321.255 1.837 20 5 DDBDRO C[C@@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC[C@H]1C[NH3+] ZINC001122209998 858714594 /nfs/dbraw/zinc/71/45/94/858714594.db2.gz MNVXSTDVTDEMJN-OCCSQVGLSA-N 1 0 305.378 1.971 20 5 DDBDRO O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC2(CC1)C[NH2+]CCO2 ZINC001122235057 858721252 /nfs/dbraw/zinc/72/12/52/858721252.db2.gz XZWPUTCVGLNIDP-UHFFFAOYSA-N 1 0 323.324 1.329 20 5 DDBDRO COc1cc(C(=O)N2CC[C@H]3CC[C@@]32C[NH3+])cc([N+](=O)[O-])c1C ZINC001122321912 858751375 /nfs/dbraw/zinc/75/13/75/858751375.db2.gz ZMICCXLTDXESSX-MLGOLLRUSA-N 1 0 319.361 1.865 20 5 DDBDRO CC(C)SCC(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001123775059 859408279 /nfs/dbraw/zinc/40/82/79/859408279.db2.gz UHMRWIXBGJBJST-UHFFFAOYSA-N 1 0 311.407 1.942 20 5 DDBDRO [NH3+]CCc1nccn1-c1cc2ncnc(Cl)c2cc1[N+](=O)[O-] ZINC001156477887 863083959 /nfs/dbraw/zinc/08/39/59/863083959.db2.gz RERPSFFVZGCYSR-UHFFFAOYSA-N 1 0 318.724 1.878 20 5 DDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[N@H+](C)CC1(C)C ZINC001156591812 863169561 /nfs/dbraw/zinc/16/95/61/863169561.db2.gz ZGPLBJDQPAXIET-CYBMUJFWSA-N 1 0 306.366 1.707 20 5 DDBDRO O=C(NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1cncnc1 ZINC001156953269 863472096 /nfs/dbraw/zinc/47/20/96/863472096.db2.gz OEJRZONMVQOAKW-UHFFFAOYSA-N 1 0 315.333 1.295 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@H]2[C@H](C1)CCC[N@@H+]2C ZINC001157259092 863689234 /nfs/dbraw/zinc/68/92/34/863689234.db2.gz CQCIZUODGUGMID-GWCFXTLKSA-N 1 0 320.349 1.307 20 5 DDBDRO CCC1(Nc2ncnc3cc(OC)c([N+](=O)[O-])cc32)C[NH2+]C1 ZINC001157778960 864131052 /nfs/dbraw/zinc/13/10/52/864131052.db2.gz CHUCBMGOIFMWFT-UHFFFAOYSA-N 1 0 303.322 1.711 20 5 DDBDRO Cc1nc[nH]c1C(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001153817571 864131466 /nfs/dbraw/zinc/13/14/66/864131466.db2.gz QVCWNTBWPCKWDJ-UHFFFAOYSA-N 1 0 309.351 1.207 20 5 DDBDRO CN1CCN(C(=[NH2+])Nc2ncc([N+](=O)[O-])c3ccccc32)CC1 ZINC001157915168 864258255 /nfs/dbraw/zinc/25/82/55/864258255.db2.gz SGAWFCVBLOKGII-UHFFFAOYSA-N 1 0 314.349 1.737 20 5 DDBDRO C[C@H]1CN(c2cc(/C=C/N(C)C)c([N+](=O)[O-])cn2)C[C@H](C)[NH2+]1 ZINC001158176416 864471236 /nfs/dbraw/zinc/47/12/36/864471236.db2.gz DPUACEPMXUUJOX-WTIVYXKASA-N 1 0 305.382 1.709 20 5 DDBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC(N2CC[C@@H]([NH3+])C2)CC1 ZINC001158259181 864520899 /nfs/dbraw/zinc/52/08/99/864520899.db2.gz OULIFPOYCCDTEO-GFCCVEGCSA-N 1 0 305.382 1.300 20 5 DDBDRO COC(=O)c1cnc(N2CC[N@H+](C(C)C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC001158494593 864688829 /nfs/dbraw/zinc/68/88/29/864688829.db2.gz KUCSDRPBTUZJES-NSHDSACASA-N 1 0 322.365 1.695 20 5 DDBDRO O=C(NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cc[nH]c1 ZINC001158595354 864751476 /nfs/dbraw/zinc/75/14/76/864751476.db2.gz MUJBYFZVXUNHAS-UHFFFAOYSA-N 1 0 302.334 1.833 20 5 DDBDRO CSc1nc(Cl)c([N+](=O)[O-])c(NC[C@@H]2COCC[NH2+]2)n1 ZINC001159042612 865067609 /nfs/dbraw/zinc/06/76/09/865067609.db2.gz HQWQLGNHXOKYHP-ZCFIWIBFSA-N 1 0 319.774 1.160 20 5 DDBDRO COc1ccc(CNC(=O)[C@H]2CCCC[C@H]2[NH3+])cc1[N+](=O)[O-] ZINC001331913538 865429208 /nfs/dbraw/zinc/42/92/08/865429208.db2.gz WYFNFDVJKDSSTH-NWDGAFQWSA-N 1 0 307.350 1.737 20 5 DDBDRO COc1ncnc(N2c3ccccc3OC[C@H]2C[NH3+])c1[N+](=O)[O-] ZINC001160201137 865724673 /nfs/dbraw/zinc/72/46/73/865724673.db2.gz VPYLZAZHQKXJRP-SECBINFHSA-N 1 0 317.305 1.251 20 5 DDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC001332401691 865813956 /nfs/dbraw/zinc/81/39/56/865813956.db2.gz KHYRDRSRDPNIIW-HUUCEWRRSA-N 1 0 318.377 1.945 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2CC[N@@H+](C3CCC3)C2)n1 ZINC001161183198 866429863 /nfs/dbraw/zinc/42/98/63/866429863.db2.gz QMNIDFUKPFFITJ-JTQLQIEISA-N 1 0 320.349 1.815 20 5 DDBDRO CCC1(Nc2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])CCC1 ZINC001161558364 866767735 /nfs/dbraw/zinc/76/77/35/866767735.db2.gz BXEINBKYXJUESJ-UHFFFAOYSA-N 1 0 306.370 1.539 20 5 DDBDRO O=[N+]([O-])c1cnn(Cc2nc([C@H]3C[NH+]4CCC3CC4)no2)c1 ZINC001320496680 866777164 /nfs/dbraw/zinc/77/71/64/866777164.db2.gz SKUNDZWSAWLDIB-NSHDSACASA-N 1 0 304.310 1.032 20 5 DDBDRO CC[NH+]1CCN([C@H](C)CNc2c(C)cncc2[N+](=O)[O-])CC1 ZINC001320589327 866863213 /nfs/dbraw/zinc/86/32/13/866863213.db2.gz KTLUUKNKMNFQER-CYBMUJFWSA-N 1 0 307.398 1.158 20 5 DDBDRO CCC1([NH3+])CCN(C(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC001333710159 866955936 /nfs/dbraw/zinc/95/59/36/866955936.db2.gz MUNQFORQYCRBED-UHFFFAOYSA-N 1 0 321.377 1.876 20 5 DDBDRO O=[N+]([O-])c1cc(Br)nc(NC[C@@H]2C[C@H](F)C[NH2+]2)c1 ZINC001162477325 867563206 /nfs/dbraw/zinc/56/32/06/867563206.db2.gz HMSASDHPLHWJMR-BQBZGAKWSA-N 1 0 319.134 1.864 20 5 DDBDRO O=[N+]([O-])c1c[nH]c2nc(NCC[C@H]3CCOC34C[NH2+]C4)ccc12 ZINC001163082454 868069858 /nfs/dbraw/zinc/06/98/58/868069858.db2.gz RRMVSBXHKBLXHP-JTQLQIEISA-N 1 0 317.349 1.652 20 5 DDBDRO NC1=CC=C(C2CCN(c3cc([N+](=O)[O-])ccn3)CC2)[NH2+]C1 ZINC001163129815 868136953 /nfs/dbraw/zinc/13/69/53/868136953.db2.gz QRUDAEBZPIBBMK-UHFFFAOYSA-N 1 0 301.350 1.536 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCNc2ncccn2)c1 ZINC001335315015 868219500 /nfs/dbraw/zinc/21/95/00/868219500.db2.gz SFZBUPITMVLHPG-ZDUSSCGKSA-N 1 0 303.322 1.120 20 5 DDBDRO O=C1C[C@H]2[NH2+]CC[C@@]2(Nc2ncnc3cc4ccccc4cc32)N1 ZINC001163238455 868246263 /nfs/dbraw/zinc/24/62/63/868246263.db2.gz CJRXWBFCJRHMFO-QAPCUYQASA-N 1 0 319.368 1.773 20 5 DDBDRO C[N@@H+]1C[C@@H]2CCN(C(=O)NCCc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC001335422074 868286443 /nfs/dbraw/zinc/28/64/43/868286443.db2.gz QPNBIYDLVCBQAI-DZGCQCFKSA-N 1 0 318.377 1.483 20 5 DDBDRO O=[N+]([O-])c1cc(NC[C@H]2CO[C@]3(C2)CCC[NH2+]C3)cnc1F ZINC001163286175 868310522 /nfs/dbraw/zinc/31/05/22/868310522.db2.gz ZILPHHMTWMEVEU-HZMBPMFUSA-N 1 0 310.329 1.700 20 5 DDBDRO CC(C)(C)[NH+]1CCN(c2cc(N)c([N+](=O)[O-])c(CO)c2)CC1 ZINC001322678515 868319730 /nfs/dbraw/zinc/31/97/30/868319730.db2.gz UADDEOKURPBAGZ-UHFFFAOYSA-N 1 0 308.382 1.590 20 5 DDBDRO C[C@H](CNC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)c1ccccc1[N+](=O)[O-] ZINC001335681577 868475618 /nfs/dbraw/zinc/47/56/18/868475618.db2.gz WAXZZEPNTFIBJB-WOPDTQHZSA-N 1 0 304.350 1.454 20 5 DDBDRO C[C@H]1CCC[C@H](C)N1c1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001163540493 868518853 /nfs/dbraw/zinc/51/88/53/868518853.db2.gz LPEXIVIRFWKJIF-RYUDHWBXSA-N 1 0 320.397 1.562 20 5 DDBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@H](C[NH3+])CC[C@@H]1C ZINC001164468324 869212952 /nfs/dbraw/zinc/21/29/52/869212952.db2.gz QLZBERUQJQPBDH-QWRGUYRKSA-N 1 0 322.365 1.730 20 5 DDBDRO COc1ccc2ncc([N+](=O)[O-])c(N3CC([NH+](C)C)C3)c2c1 ZINC001337372921 869456890 /nfs/dbraw/zinc/45/68/90/869456890.db2.gz BAQALLVNTCUJTF-UHFFFAOYSA-N 1 0 302.334 1.902 20 5 DDBDRO COc1nc(NCC[C@H]2CCC[N@H+](C)C2)nc(C)c1[N+](=O)[O-] ZINC001165261935 869475005 /nfs/dbraw/zinc/47/50/05/869475005.db2.gz TVCQPBZZCNHDJN-LLVKDONJSA-N 1 0 309.370 1.846 20 5 DDBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CCO[C@@H]2C[NH2+]CC[C@@H]2C1 ZINC001165286702 869496092 /nfs/dbraw/zinc/49/60/92/869496092.db2.gz ICPGQYXOCNKINF-BXKDBHETSA-N 1 0 312.757 1.458 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1Cc1nc([C@@H]2C[NH+]3CCC2CC3)no1 ZINC001337930447 869697490 /nfs/dbraw/zinc/69/74/90/869697490.db2.gz VFPUISMKHOWLAR-LLVKDONJSA-N 1 0 318.337 1.340 20 5 DDBDRO COc1cccc(N[C@@H](C)[C@H]2C[N@H+](C)CCN2C)c1[N+](=O)[O-] ZINC001338084766 869791332 /nfs/dbraw/zinc/79/13/32/869791332.db2.gz SFRITYOSQOMIAC-WCQYABFASA-N 1 0 308.382 1.650 20 5 DDBDRO O=C(NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1)C1(CF)CC1 ZINC001166355085 869965387 /nfs/dbraw/zinc/96/53/87/869965387.db2.gz MSOGIULGUFMXRU-UHFFFAOYSA-N 1 0 309.341 1.940 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC(C(C)(C)C[NH3+])CC1 ZINC001340490646 871144168 /nfs/dbraw/zinc/14/41/68/871144168.db2.gz JHYKYVKTPJIYNM-UHFFFAOYSA-N 1 0 308.382 1.770 20 5 DDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@H]1CN(C)CCO1 ZINC001340735209 871317108 /nfs/dbraw/zinc/31/71/08/871317108.db2.gz JWSUNMMMAIWADB-QMTHXVAHSA-N 1 0 322.365 1.085 20 5 DDBDRO C[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC1CCC(C)(C)CC1 ZINC001317448733 871337262 /nfs/dbraw/zinc/33/72/62/871337262.db2.gz YPWLKNWJPGGGJI-ZIAGYGMSSA-N 1 0 311.426 1.916 20 5 DDBDRO COc1ccc(C[NH2+]CCN2CCC(CO)CC2)cc1[N+](=O)[O-] ZINC001308262712 871486801 /nfs/dbraw/zinc/48/68/01/871486801.db2.gz RBGFRTKYTXNTAS-UHFFFAOYSA-N 1 0 323.393 1.397 20 5 DDBDRO [NH3+]C[C@]12CC[C@@H]1CCN2C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC001341483093 871678355 /nfs/dbraw/zinc/67/83/55/871678355.db2.gz MIZDKTKZKKOYRR-MEBBXXQBSA-N 1 0 323.324 1.453 20 5 DDBDRO C[C@@H](NC(=O)[C@H]1[NH2+]CC12CCOCC2)c1ccc([N+](=O)[O-])cc1 ZINC001341738766 871795720 /nfs/dbraw/zinc/79/57/20/871795720.db2.gz CVOSLSSXPXWNTI-BXUZGUMPSA-N 1 0 319.361 1.541 20 5 DDBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc(CO[C@@H]2CC[NH2+]C2)n1 ZINC001205886301 871899629 /nfs/dbraw/zinc/89/96/29/871899629.db2.gz VOEAKRNSYGTVOM-MRVPVSSYSA-N 1 0 309.257 1.057 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([NH2+]CCO)C1 ZINC001342251535 872103083 /nfs/dbraw/zinc/10/30/83/872103083.db2.gz WCBCENPDXYOFBP-ZDUSSCGKSA-N 1 0 321.377 1.398 20 5 DDBDRO CCOc1ccc(C(=O)NC[C@@H]2C[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC001342432904 872206634 /nfs/dbraw/zinc/20/66/34/872206634.db2.gz YTDSIRIOYHWTRI-PWSUYJOCSA-N 1 0 307.350 1.579 20 5 DDBDRO C[C@@H]([NH2+]CCN1CCC(CO)CC1)c1ccc([N+](=O)[O-])cc1 ZINC001319397094 872609267 /nfs/dbraw/zinc/60/92/67/872609267.db2.gz HBSMPWUQVSSIHK-CYBMUJFWSA-N 1 0 307.394 1.950 20 5 DDBDRO [NH3+]C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CCCO1 ZINC001343673108 872712004 /nfs/dbraw/zinc/71/20/04/872712004.db2.gz NUHKGECLDYVFSY-RBSFLKMASA-N 1 0 319.361 1.275 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@](C)(O)C[NH+](C)C)c1C ZINC001350362998 875646750 /nfs/dbraw/zinc/64/67/50/875646750.db2.gz SUNCHMSMINRNNG-HNNXBMFYSA-N 1 0 309.366 1.254 20 5 DDBDRO C[NH+](C)C[C@H](CO)Nc1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001353204118 877184135 /nfs/dbraw/zinc/18/41/35/877184135.db2.gz SVUKNKFZLYXQKR-SECBINFHSA-N 1 0 307.272 1.948 20 5 DDBDRO CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC001353928314 877650435 /nfs/dbraw/zinc/65/04/35/877650435.db2.gz JARLYORJWATGCO-CHWSQXEVSA-N 1 0 309.341 1.909 20 5 DDBDRO Cc1cccc(C(=O)N2CCC[C@H]([NH2+]CCO)C2)c1[N+](=O)[O-] ZINC001354435642 877982140 /nfs/dbraw/zinc/98/21/40/877982140.db2.gz GATIVRVDMPNJPR-LBPRGKRZSA-N 1 0 307.350 1.090 20 5 DDBDRO C[C@@H]1CN(C(=O)CCOc2ccccc2[N+](=O)[O-])CC[C@H]1C[NH3+] ZINC001355063672 878406629 /nfs/dbraw/zinc/40/66/29/878406629.db2.gz AATJMWVQFVKBHI-OLZOCXBDSA-N 1 0 321.377 1.807 20 5 DDBDRO C[C@H](CNC(=O)[C@]12C[C@H]1CCC[NH2+]2)c1ccccc1[N+](=O)[O-] ZINC001355315312 878496370 /nfs/dbraw/zinc/49/63/70/878496370.db2.gz DSDKJYHSAYJQNF-HSMVNMDESA-N 1 0 303.362 1.957 20 5 DDBDRO C[C@H](CC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)[S@](C)=O ZINC001356627613 879136491 /nfs/dbraw/zinc/13/64/91/879136491.db2.gz ALGXWBFFVFDHMG-FBWDIHGXSA-N 1 0 300.380 1.375 20 5 DDBDRO Cc1ccc([C@H](C)NC(=O)[C@@H]2[C@@H]3CC[NH2+]C[C@@H]32)cc1[N+](=O)[O-] ZINC001357321739 879913020 /nfs/dbraw/zinc/91/30/20/879913020.db2.gz IVQDOVRVJVHFFJ-QMPIGLIWSA-N 1 0 303.362 1.936 20 5 DDBDRO O=C(NCC12CC(C1)C[NH2+]2)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001357874473 880236071 /nfs/dbraw/zinc/23/60/71/880236071.db2.gz VFJGHEHLBAHBHE-HSMXMWKUSA-N 1 0 301.346 1.567 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](C)c1nnc2ccccn21 ZINC001473360710 880398713 /nfs/dbraw/zinc/39/87/13/880398713.db2.gz SFUCWWOCIBXNCV-JTQLQIEISA-N 1 0 315.337 1.493 20 5 DDBDRO CO[C@@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])c([N+](=O)[O-])c2)C1 ZINC001233708756 887243986 /nfs/dbraw/zinc/24/39/86/887243986.db2.gz ZTLAALKDTIWGBS-LLVKDONJSA-N 1 0 311.294 1.603 20 5 DDBDRO COc1c(Cl)cccc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001234637986 888162904 /nfs/dbraw/zinc/16/29/04/888162904.db2.gz OYBNFDHHBQNGAD-SNVBAGLBSA-N 1 0 302.778 1.711 20 5 DDBDRO CCCOCC(=O)NCCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001235137572 888431695 /nfs/dbraw/zinc/43/16/95/888431695.db2.gz OOSMUQMEGIJWSF-UHFFFAOYSA-N 1 0 323.393 1.960 20 5 DDBDRO N[C@H](c1nc(-c2ncc(F)cc2[N+](=O)[O-])no1)C1CC[NH2+]CC1 ZINC001249327759 893932377 /nfs/dbraw/zinc/93/23/77/893932377.db2.gz QLXVNEXIEKCGGO-JTQLQIEISA-N 1 0 322.300 1.178 20 5 DDBDRO O=C1C[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCN1 ZINC001254465819 896453478 /nfs/dbraw/zinc/45/34/78/896453478.db2.gz MGRLZHIUVLZIMA-ZDUSSCGKSA-N 1 0 318.377 1.432 20 5 DDBDRO CS(=O)(=O)[C@@H]1CCCN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254606850 896528061 /nfs/dbraw/zinc/52/80/61/896528061.db2.gz IQMCOVRGJGETKP-LSDHHAIUSA-N 1 0 324.402 1.571 20 5 DDBDRO O=c1[nH]n([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)c2c1C[NH2+]CC2 ZINC001254608041 896529777 /nfs/dbraw/zinc/52/97/77/896529777.db2.gz OPOKGQHIXZYMOB-LBPRGKRZSA-N 1 0 300.318 1.483 20 5 DDBDRO C[NH2+]CCN(C(C)C)S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC001262161872 899994663 /nfs/dbraw/zinc/99/46/63/899994663.db2.gz WMGHIDGFIPHWNH-UHFFFAOYSA-N 1 0 315.395 1.522 20 5 DDBDRO C[NH2+]CCN(C(=O)NCCOc1ccc([N+](=O)[O-])cc1)C(C)C ZINC001262572223 900254867 /nfs/dbraw/zinc/25/48/67/900254867.db2.gz OCBDEYZTFWRERC-UHFFFAOYSA-N 1 0 324.381 1.613 20 5 DDBDRO C[C@@H]1SCC[C@@H]1[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC001262576296 900255813 /nfs/dbraw/zinc/25/58/13/900255813.db2.gz MICDPXPTWGJAKZ-TUAOUCFPSA-N 1 0 312.391 1.818 20 5 DDBDRO C[C@H](CNC(=O)NC[C@@H]1CCC[NH2+]1)c1ccccc1[N+](=O)[O-] ZINC001262584398 900261775 /nfs/dbraw/zinc/26/17/75/900261775.db2.gz BALUULVPCBPNBW-NEPJUHHUSA-N 1 0 306.366 1.750 20 5 DDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1[NH2+]CC12CCOCC2 ZINC001263067158 900480338 /nfs/dbraw/zinc/48/03/38/900480338.db2.gz FXZKVVSMIFPVGA-AWEZNQCLSA-N 1 0 319.361 1.322 20 5 DDBDRO [NH3+]CC1(CCNC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC001263149836 900518040 /nfs/dbraw/zinc/51/80/40/900518040.db2.gz LPUZHPXEWBWGML-ZIAGYGMSSA-N 1 0 303.362 1.944 20 5 DDBDRO Cc1c(C(=O)N[C@@H]2CC[C@@H]3C[N@@H+](C)C[C@H]23)cccc1[N+](=O)[O-] ZINC001263980534 900854343 /nfs/dbraw/zinc/85/43/43/900854343.db2.gz YCHIWWFHESJOCV-KWCYVHTRSA-N 1 0 303.362 1.973 20 5 DDBDRO O=C(NCCC[N@H+](Cc1cncs1)C1CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001266135795 903004841 /nfs/dbraw/zinc/00/48/41/903004841.db2.gz XWRGONRSUIDZRA-CHWSQXEVSA-N 1 0 324.406 1.279 20 5 DDBDRO Cc1c(C(=O)N[C@@H]2CC[NH2+][C@H](C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000278355200 214110588 /nfs/dbraw/zinc/11/05/88/214110588.db2.gz ZVGKJIXAWWBINS-PSASIEDQSA-N 1 0 322.321 1.682 20 5 DDBDRO O=[N+]([O-])c1ccc2[nH]c(CN3CC[NH+](CC4CC4)CC3)nc2c1 ZINC000614261246 361777597 /nfs/dbraw/zinc/77/75/97/361777597.db2.gz DZHHJDBAUTZFTF-UHFFFAOYSA-N 1 0 315.377 1.999 20 5 DDBDRO COC1(C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000162839535 197595277 /nfs/dbraw/zinc/59/52/77/197595277.db2.gz WMQMKUGLLKKXGW-GFCCVEGCSA-N 1 0 321.377 1.849 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000451334531 231070749 /nfs/dbraw/zinc/07/07/49/231070749.db2.gz BVFUGYKBVKEADN-SCRDCRAPSA-N 1 0 308.382 1.844 20 5 DDBDRO C[N@H+](CCCCCO)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000278728459 214359492 /nfs/dbraw/zinc/35/94/92/214359492.db2.gz AQCOEQJYWBOFAF-CQSZACIVSA-N 1 0 312.366 1.429 20 5 DDBDRO COC[C@@]1(CO)CC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000451924396 231233985 /nfs/dbraw/zinc/23/39/85/231233985.db2.gz DOHMEUJJUVRXDI-HNNXBMFYSA-N 1 0 310.350 1.434 20 5 DDBDRO CC[C@@H]1[C@@H](CO)CC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000451261676 529480597 /nfs/dbraw/zinc/48/05/97/529480597.db2.gz WDGFJIVZOJCWDU-IUODEOHRSA-N 1 0 321.377 1.935 20 5 DDBDRO CC[C@@H](CO)[NH+]1CCN(Cc2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000305856381 529510327 /nfs/dbraw/zinc/51/03/27/529510327.db2.gz WOXNFHMUUXPXJB-AWEZNQCLSA-N 1 0 323.393 1.492 20 5 DDBDRO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000278219138 214030926 /nfs/dbraw/zinc/03/09/26/214030926.db2.gz JDYHICWFCBXLAF-JOYOIKCWSA-N 1 0 311.313 1.369 20 5 DDBDRO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000279281724 214761891 /nfs/dbraw/zinc/76/18/91/214761891.db2.gz WWTQROIHFVCQPC-QWHCGFSZSA-N 1 0 322.340 1.673 20 5 DDBDRO O=[N+]([O-])c1ccc2oc(C[N@@H+](CCO)C3CCOCC3)nc2c1 ZINC000614923170 362080333 /nfs/dbraw/zinc/08/03/33/362080333.db2.gz MALCLZRAOGYPSQ-UHFFFAOYSA-N 1 0 321.333 1.709 20 5 DDBDRO C[N@@H+]1CC[C@@](O)(CNc2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413244220 529801105 /nfs/dbraw/zinc/80/11/05/529801105.db2.gz ZFBPQJSEUZTPPB-OAHLLOKOSA-N 1 0 302.334 1.622 20 5 DDBDRO Cc1c(C(=O)NC2CC[NH2+]CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000269114916 282311534 /nfs/dbraw/zinc/31/15/34/282311534.db2.gz SDIMCNAQNDFEPO-UHFFFAOYSA-N 1 0 308.294 1.293 20 5 DDBDRO CCOC1CC([N@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000286721963 219129577 /nfs/dbraw/zinc/12/95/77/219129577.db2.gz GIBLGZJIRVTOHA-ROKHWSDSSA-N 1 0 324.377 1.834 20 5 DDBDRO CN1C(=O)CC[C@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])C1=O ZINC000424203314 530042552 /nfs/dbraw/zinc/04/25/52/530042552.db2.gz KBUCXEYXRCEWOA-FUEXJSSKSA-N 1 0 303.318 1.345 20 5 DDBDRO C[N@@H+]1CC[C@]2(CCN(c3nc4sccn4c3[N+](=O)[O-])C2)C1 ZINC000292391682 282355488 /nfs/dbraw/zinc/35/54/88/282355488.db2.gz UBIXIYLJJPBOGV-ZDUSSCGKSA-N 1 0 307.379 1.836 20 5 DDBDRO COC(=O)CCNC(=O)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181816137 199355916 /nfs/dbraw/zinc/35/59/16/199355916.db2.gz ZGSLDGWVFVDJGI-LLVKDONJSA-N 1 0 323.349 1.233 20 5 DDBDRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000341412508 282459459 /nfs/dbraw/zinc/45/94/59/282459459.db2.gz JUBKZESYBCECSE-QWRGUYRKSA-N 1 0 322.365 1.688 20 5 DDBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000358357921 299129837 /nfs/dbraw/zinc/12/98/37/299129837.db2.gz SGASAAWLOGLQLG-NSHDSACASA-N 1 0 311.386 1.336 20 5 DDBDRO O=C(NCCNc1ccccc1[N+](=O)[O-])[C@@H]1CCC[N@@H+]1C1CC1 ZINC000279646286 215029987 /nfs/dbraw/zinc/02/99/87/215029987.db2.gz BEEXUOKDORHDDC-HNNXBMFYSA-N 1 0 318.377 1.750 20 5 DDBDRO COC(=O)COc1ccc(C[NH2+]C[C@H]2C[C@@H]2C)cc1[N+](=O)[O-] ZINC000353782933 290831856 /nfs/dbraw/zinc/83/18/56/290831856.db2.gz WHGHFZINIZZBCZ-CMPLNLGQSA-N 1 0 308.334 1.892 20 5 DDBDRO CN(C)CC(C)(C)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000459536311 233290414 /nfs/dbraw/zinc/29/04/14/233290414.db2.gz KYFWRUDOPHVVOB-CYBMUJFWSA-N 1 0 311.382 1.264 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)n1 ZINC000191828457 186260179 /nfs/dbraw/zinc/26/01/79/186260179.db2.gz GTCNCVSDGGZSTE-LBPRGKRZSA-N 1 0 323.397 1.758 20 5 DDBDRO CN(CCC[NH+]1CCCC1)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000281310623 186519095 /nfs/dbraw/zinc/51/90/95/186519095.db2.gz KORRAZSPFIYJQG-UHFFFAOYSA-N 1 0 320.393 1.951 20 5 DDBDRO CC[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000022992110 352181233 /nfs/dbraw/zinc/18/12/33/352181233.db2.gz MCAWMNWGEQFXJP-UHFFFAOYSA-N 1 0 307.350 1.818 20 5 DDBDRO C[NH+]1CCC(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC1 ZINC000023421608 352184567 /nfs/dbraw/zinc/18/45/67/352184567.db2.gz RAOXTUOUPCDSJI-UHFFFAOYSA-N 1 0 318.377 1.993 20 5 DDBDRO CC[NH+](CC)[C@H](C)CNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000041911471 352318273 /nfs/dbraw/zinc/31/82/73/352318273.db2.gz OJVYFKKJPUWYQA-GFCCVEGCSA-N 1 0 309.366 1.820 20 5 DDBDRO COCC[N@H+](C)CCCNC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000043346618 352365918 /nfs/dbraw/zinc/36/59/18/352365918.db2.gz NRDFZMGRESHPTJ-UHFFFAOYSA-N 1 0 324.381 1.993 20 5 DDBDRO O=C(NCC1([NH+]2CCCCC2)CCCCC1)[C@H]1C[C@@H]1[N+](=O)[O-] ZINC000047295364 352489445 /nfs/dbraw/zinc/48/94/45/352489445.db2.gz BQBZVMXICACNEW-KBPBESRZSA-N 1 0 309.410 1.957 20 5 DDBDRO CC[NH+]1CCC(NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000048882745 352547222 /nfs/dbraw/zinc/54/72/22/352547222.db2.gz YGJXGLKHJDEGGZ-UHFFFAOYSA-N 1 0 320.349 1.134 20 5 DDBDRO Cc1cccc(C[NH+]2CCC(NC(=O)[C@@H]3C[C@@H]3[N+](=O)[O-])CC2)c1 ZINC000053506612 352659513 /nfs/dbraw/zinc/65/95/13/352659513.db2.gz DXIBHCWGSSQEQO-CVEARBPZSA-N 1 0 317.389 1.741 20 5 DDBDRO CC[N@@H+]1CC[C@H](CNC(=O)CN(C)c2ccccc2[N+](=O)[O-])C1 ZINC000173711137 198243046 /nfs/dbraw/zinc/24/30/46/198243046.db2.gz ASJDOCCJCMMNCH-CYBMUJFWSA-N 1 0 320.393 1.489 20 5 DDBDRO CC(C)C[NH+]1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000072657504 353207054 /nfs/dbraw/zinc/20/70/54/353207054.db2.gz SXJHQADRYCKQQI-UHFFFAOYSA-N 1 0 321.377 1.774 20 5 DDBDRO C[C@@H](O)C[N@@H+]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000174331972 198320909 /nfs/dbraw/zinc/32/09/09/198320909.db2.gz SIZUWVKBBFPGAA-CHWSQXEVSA-N 1 0 321.377 1.051 20 5 DDBDRO C[C@H](CCCC[NH3+])NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000292136755 222859823 /nfs/dbraw/zinc/85/98/23/222859823.db2.gz SDQSUMLPVSXTRI-SECBINFHSA-N 1 0 310.310 1.750 20 5 DDBDRO CCN1CC[NH+](C[C@@H](C)CNc2cc(C)c([N+](=O)[O-])cn2)CC1 ZINC000074741736 353327754 /nfs/dbraw/zinc/32/77/54/353327754.db2.gz AFSOFAUEUNBHOT-ZDUSSCGKSA-N 1 0 321.425 1.984 20 5 DDBDRO C[N@@H+]1CCCN(CCC[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000105476814 353936296 /nfs/dbraw/zinc/93/62/96/353936296.db2.gz YRFCCGMNBASEHX-UHFFFAOYSA-N 1 0 306.410 1.712 20 5 DDBDRO CCOc1ccc(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000162202865 354245700 /nfs/dbraw/zinc/24/57/00/354245700.db2.gz IILWUHFRFKYXJT-NWDGAFQWSA-N 1 0 307.350 1.993 20 5 DDBDRO O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000493386550 234798255 /nfs/dbraw/zinc/79/82/55/234798255.db2.gz NWPCQTIGBPMHOL-QYRYRTANSA-N 1 0 305.309 1.567 20 5 DDBDRO Cc1ccc(C[C@@H](C)[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)s1 ZINC000316309753 354501771 /nfs/dbraw/zinc/50/17/71/354501771.db2.gz WCWOSXKCGMSIBP-MFKMUULPSA-N 1 0 324.406 1.743 20 5 DDBDRO CNc1c(C(=O)N2CC[C@H]([NH+](C)C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000319205897 354520324 /nfs/dbraw/zinc/52/03/24/354520324.db2.gz FOLLBEZDXTXJDJ-JQWIXIFHSA-N 1 0 306.366 1.801 20 5 DDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000320172394 354525729 /nfs/dbraw/zinc/52/57/29/354525729.db2.gz XRTVUDXNOBVYRO-BDAKNGLRSA-N 1 0 301.368 1.307 20 5 DDBDRO C[C@H]1CCCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H]1CC[NH3+] ZINC000404323811 354675995 /nfs/dbraw/zinc/67/59/95/354675995.db2.gz SSAOMUQQOLOUHV-SMDDNHRTSA-N 1 0 320.393 1.643 20 5 DDBDRO CC(C)(C)[N@@H+]1CCCN(c2cc(N)c([N+](=O)[O-])c(CO)c2)CC1 ZINC000587571045 354883067 /nfs/dbraw/zinc/88/30/67/354883067.db2.gz CDDSLFMXVCPECU-UHFFFAOYSA-N 1 0 322.409 1.980 20 5 DDBDRO C[N@@H+]1CC[C@]2(CCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)C2)C1 ZINC000346297768 283062590 /nfs/dbraw/zinc/06/25/90/283062590.db2.gz PJGCKEOKZKFGMJ-HNNXBMFYSA-N 1 0 307.325 1.902 20 5 DDBDRO CCN(CC[NH+]1CCCCCC1)C(=O)c1cc([N+](=O)[O-])nn1C ZINC000346350123 283070201 /nfs/dbraw/zinc/07/02/01/283070201.db2.gz LJESXIKPMYRADO-UHFFFAOYSA-N 1 0 323.397 1.666 20 5 DDBDRO CCOC(=O)c1ccnc(N2CC[C@H]([NH+](C)C)[C@H]2C)c1[N+](=O)[O-] ZINC000590568552 355115827 /nfs/dbraw/zinc/11/58/27/355115827.db2.gz FQNUMBXLRXNJPN-PWSUYJOCSA-N 1 0 322.365 1.695 20 5 DDBDRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000590403343 355085765 /nfs/dbraw/zinc/08/57/65/355085765.db2.gz PJVOOLONDZWDIP-NWDGAFQWSA-N 1 0 307.350 1.525 20 5 DDBDRO C[N@@H+]1C[C@H]2CCN(C(=O)c3cc4c(cc3[N+](=O)[O-])OCO4)[C@H]2C1 ZINC000590442268 355096395 /nfs/dbraw/zinc/09/63/95/355096395.db2.gz FCGFGKYRIZNOIE-SKDRFNHKSA-N 1 0 319.317 1.100 20 5 DDBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCC[NH2+]CC1 ZINC000591347076 355294464 /nfs/dbraw/zinc/29/44/64/355294464.db2.gz SDLLITFIKDLABF-CYBMUJFWSA-N 1 0 306.366 1.579 20 5 DDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000591444787 355312822 /nfs/dbraw/zinc/31/28/22/355312822.db2.gz WNNUSLWNTVDOJI-OLZOCXBDSA-N 1 0 307.398 1.946 20 5 DDBDRO [NH3+][C@H]1CCC[C@@H](NCc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000591278500 355276896 /nfs/dbraw/zinc/27/68/96/355276896.db2.gz IYIWBAWDINYWCG-NWDGAFQWSA-N 1 0 307.350 1.726 20 5 DDBDRO CCc1cc(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])on1 ZINC000591742671 355375597 /nfs/dbraw/zinc/37/55/97/355375597.db2.gz UNGQITXABRKPNO-GFCCVEGCSA-N 1 0 321.333 1.675 20 5 DDBDRO CN(CCC[NH3+])C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000591679378 355361083 /nfs/dbraw/zinc/36/10/83/355361083.db2.gz SBVYCODYPKXREC-UHFFFAOYSA-N 1 0 316.155 1.778 20 5 DDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N(C)CCC[NH3+])cc1OC ZINC000591678992 355361225 /nfs/dbraw/zinc/36/12/25/355361225.db2.gz MLDYEGUCJSAJAR-UHFFFAOYSA-N 1 0 311.338 1.423 20 5 DDBDRO CC[C@H]1CN(C(=O)c2cc(OC)ccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000592333454 355561123 /nfs/dbraw/zinc/56/11/23/355561123.db2.gz ZABSRPIMUYJWCX-GWCFXTLKSA-N 1 0 307.350 1.803 20 5 DDBDRO CC[C@@H]1CN(C(=O)COc2ccccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000592331654 355561228 /nfs/dbraw/zinc/56/12/28/355561228.db2.gz LZYRGCSKUWNKAZ-VXGBXAGGSA-N 1 0 307.350 1.559 20 5 DDBDRO Cc1nn(CCC(=O)N2CC[NH2+][C@@H](C(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000592248315 355546675 /nfs/dbraw/zinc/54/66/75/355546675.db2.gz YVGNIIFBCGMRAQ-CYBMUJFWSA-N 1 0 323.397 1.255 20 5 DDBDRO C[C@H]([NH3+])CNC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000592334097 355562108 /nfs/dbraw/zinc/56/21/08/355562108.db2.gz YPBPCRAQSOYJKT-VIFPVBQESA-N 1 0 303.322 1.072 20 5 DDBDRO O=C(N[C@H]1CC[NH2+]C1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000592465886 355591495 /nfs/dbraw/zinc/59/14/95/355591495.db2.gz SIMAKZZSTDIDFF-ZDUSSCGKSA-N 1 0 318.377 1.289 20 5 DDBDRO CC[C@H]1CN(CC(=O)Nc2c(C)cccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000592485583 355596075 /nfs/dbraw/zinc/59/60/75/355596075.db2.gz IWPWZQIQDAVJDH-STQMWFEESA-N 1 0 320.393 1.901 20 5 DDBDRO CC[NH+](CC)CCn1c(=O)onc1-c1cccc([N+](=O)[O-])c1 ZINC000592349611 355564250 /nfs/dbraw/zinc/56/42/50/355564250.db2.gz PDAHJUWARMQJFO-UHFFFAOYSA-N 1 0 306.322 1.753 20 5 DDBDRO O=C(Nc1ccncc1[N+](=O)[O-])N[C@H]1CC[NH2+]C12CCCC2 ZINC000592425554 355579332 /nfs/dbraw/zinc/57/93/32/355579332.db2.gz CUCRWDARPTXHND-LBPRGKRZSA-N 1 0 305.338 1.208 20 5 DDBDRO CC[C@@H]1CN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC[C@@H]1[NH3+] ZINC000592545858 355623450 /nfs/dbraw/zinc/62/34/50/355623450.db2.gz ZVPXBRODLSDHOH-KOLCDFICSA-N 1 0 321.333 1.523 20 5 DDBDRO C[C@H]([NH3+])[C@H](C)NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000592556916 355628091 /nfs/dbraw/zinc/62/80/91/355628091.db2.gz QEMWULPGSJRNCK-RYUDHWBXSA-N 1 0 320.393 1.663 20 5 DDBDRO C[C@@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)[C@H](C)[NH3+] ZINC000592556915 355628123 /nfs/dbraw/zinc/62/81/23/355628123.db2.gz QEMWULPGSJRNCK-NWDGAFQWSA-N 1 0 320.393 1.663 20 5 DDBDRO O=[N+]([O-])c1ccc2nc(N3CC([N@@H+]4CC[C@@H](O)C4)C3)ccc2c1 ZINC000593506727 355907434 /nfs/dbraw/zinc/90/74/34/355907434.db2.gz AAJOCGYGBCHEFH-CQSZACIVSA-N 1 0 314.345 1.398 20 5 DDBDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593573237 355930535 /nfs/dbraw/zinc/93/05/35/355930535.db2.gz VWKNNMAZCWBHRY-QWRGUYRKSA-N 1 0 309.341 1.827 20 5 DDBDRO CCC[NH+]1CCN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000593451105 355888645 /nfs/dbraw/zinc/88/86/45/355888645.db2.gz RNOQNZOOAPYFGH-UHFFFAOYSA-N 1 0 309.341 1.831 20 5 DDBDRO C[NH+](C)C[C@H]1CCN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000593467301 355894428 /nfs/dbraw/zinc/89/44/28/355894428.db2.gz KSDDETNDJGFPPX-LLVKDONJSA-N 1 0 309.341 1.687 20 5 DDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCCC2CC[NH2+]CC2)s1 ZINC000593733530 355979812 /nfs/dbraw/zinc/97/98/12/355979812.db2.gz WVPJXGUGEFKHGR-UHFFFAOYSA-N 1 0 319.408 1.324 20 5 DDBDRO [NH3+]CC1(CCNC(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000593705302 355972087 /nfs/dbraw/zinc/97/20/87/355972087.db2.gz XKHSUSOZJVURJM-UHFFFAOYSA-N 1 0 322.365 1.402 20 5 DDBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)NCCC1CC[NH2+]CC1 ZINC000593708032 355972971 /nfs/dbraw/zinc/97/29/71/355972971.db2.gz AQEIUQVKXJZPDY-UHFFFAOYSA-N 1 0 320.393 1.826 20 5 DDBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[NH2+]CC1 ZINC000593903466 356049716 /nfs/dbraw/zinc/04/97/16/356049716.db2.gz BPDSKNMDKFOOEK-GFCCVEGCSA-N 1 0 307.350 1.480 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000593916900 356058646 /nfs/dbraw/zinc/05/86/46/356058646.db2.gz TYCBJMZIOSHWSY-YPMHNXCESA-N 1 0 323.397 1.466 20 5 DDBDRO O=C(CNc1ccccc1[N+](=O)[O-])NCCC1CC[NH2+]CC1 ZINC000593919437 356061532 /nfs/dbraw/zinc/06/15/32/356061532.db2.gz RCAJJCWAZXBRGB-UHFFFAOYSA-N 1 0 306.366 1.513 20 5 DDBDRO CC(C)OC(=O)C[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)C(C)C ZINC000594041733 356096942 /nfs/dbraw/zinc/09/69/42/356096942.db2.gz POGXNJUCGGSGKL-LBPRGKRZSA-N 1 0 312.370 1.747 20 5 DDBDRO COc1cc(C(=O)N[C@H](C[NH3+])C(F)(F)F)cc([N+](=O)[O-])c1C ZINC000594451110 356221906 /nfs/dbraw/zinc/22/19/06/356221906.db2.gz JHHVFNIKGRZIOJ-SNVBAGLBSA-N 1 0 321.255 1.531 20 5 DDBDRO [NH3+]C[C@H](NC(=O)CCOc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000594451317 356221930 /nfs/dbraw/zinc/22/19/30/356221930.db2.gz KFUFRDYGWRHHJF-JTQLQIEISA-N 1 0 321.255 1.370 20 5 DDBDRO COCC1(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000594577402 356254073 /nfs/dbraw/zinc/25/40/73/356254073.db2.gz PBLOYMAQMINNOP-CYBMUJFWSA-N 1 0 310.350 1.351 20 5 DDBDRO O=C(NC[C@H]1CCC[NH2+]C1)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000594627462 356268695 /nfs/dbraw/zinc/26/86/95/356268695.db2.gz YACLMCVEBIRCNC-JTQLQIEISA-N 1 0 302.334 1.806 20 5 DDBDRO [NH3+][C@@H](c1cn(Cc2ccc([N+](=O)[O-])cc2)nn1)[C@H]1CCCO1 ZINC000594651256 356274747 /nfs/dbraw/zinc/27/47/47/356274747.db2.gz HADZSFNSHWFPIN-KGLIPLIRSA-N 1 0 303.322 1.413 20 5 DDBDRO Cc1ccc(C[NH2+][C@@H]2CCc3c(nnn3C)C2)cc1[N+](=O)[O-] ZINC000594515582 356241603 /nfs/dbraw/zinc/24/16/03/356241603.db2.gz NVZCBIGCBIPOPX-GFCCVEGCSA-N 1 0 301.350 1.679 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC[C@@H](C)[NH+](C)C ZINC000594816747 356326437 /nfs/dbraw/zinc/32/64/37/356326437.db2.gz KJGZXRAVTFJNLV-LLVKDONJSA-N 1 0 315.395 1.522 20 5 DDBDRO COC1CC(CC[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000594718262 356295225 /nfs/dbraw/zinc/29/52/25/356295225.db2.gz MNDLNUBUWJEIET-MOKVOYLWSA-N 1 0 324.377 1.739 20 5 DDBDRO O=[N+]([O-])c1ccc(OCC[NH2+]Cc2cc3n(n2)CCC3)cc1 ZINC000594921048 356355286 /nfs/dbraw/zinc/35/52/86/356355286.db2.gz AFIQBHMRVMCQEP-UHFFFAOYSA-N 1 0 302.334 1.906 20 5 DDBDRO CC(C)[C@H]([NH3+])CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000595120526 356385798 /nfs/dbraw/zinc/38/57/98/356385798.db2.gz HAFHCEZVUMMZND-GFCCVEGCSA-N 1 0 301.368 1.247 20 5 DDBDRO CC(C)[C@H]([NH3+])CCNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000595119917 356386150 /nfs/dbraw/zinc/38/61/50/356386150.db2.gz AEOBXIHVFQZLFS-CYBMUJFWSA-N 1 0 315.395 1.388 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC[C@H](C)[NH+](C)C ZINC000595126923 356387712 /nfs/dbraw/zinc/38/77/12/356387712.db2.gz XTQTXJJGPMSHBC-NSHDSACASA-N 1 0 322.365 1.298 20 5 DDBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)c1 ZINC000595261350 356424531 /nfs/dbraw/zinc/42/45/31/356424531.db2.gz XMMCPDARWADANX-GHMZBOCLSA-N 1 0 313.354 1.828 20 5 DDBDRO [NH3+][C@@H]1CN(C(=O)NCCc2ccccc2[N+](=O)[O-])CC[C@H]1F ZINC000595263905 356425378 /nfs/dbraw/zinc/42/53/78/356425378.db2.gz WRMFITVHIXIURV-VXGBXAGGSA-N 1 0 310.329 1.218 20 5 DDBDRO C[C@H](NC(=O)N(C)CC1C[NH+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000595480087 356510837 /nfs/dbraw/zinc/51/08/37/356510837.db2.gz IJBSNPBRWVXNJK-NSHDSACASA-N 1 0 306.366 1.859 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C1(CCO)CCCC1 ZINC000595508981 356523796 /nfs/dbraw/zinc/52/37/96/356523796.db2.gz MTNNHUCIGFKWNA-ZDUSSCGKSA-N 1 0 324.377 1.619 20 5 DDBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]C[C@@H](O)Cn1cccn1 ZINC000579345432 422752060 /nfs/dbraw/zinc/75/20/60/422752060.db2.gz CVRYVXXWQKMSQU-CYBMUJFWSA-N 1 0 324.768 1.638 20 5 DDBDRO CCCN(C(=O)c1c([N+](=O)[O-])c(C)nn1C)C1CC[NH2+]CC1 ZINC000236832883 202031329 /nfs/dbraw/zinc/03/13/29/202031329.db2.gz YUFWEKXYVSXYGG-UHFFFAOYSA-N 1 0 309.370 1.241 20 5 DDBDRO CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595634946 356586107 /nfs/dbraw/zinc/58/61/07/356586107.db2.gz RSQOEEMGDIEQOQ-TUAOUCFPSA-N 1 0 313.354 1.547 20 5 DDBDRO Cc1cc(S(=O)(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)c([N+](=O)[O-])s1 ZINC000601341746 358507105 /nfs/dbraw/zinc/50/71/05/358507105.db2.gz BKTAHJYUMDCIJY-HTQZYQBOSA-N 1 0 319.408 1.336 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@@H]1[C@@H](C)O ZINC000595766573 356643636 /nfs/dbraw/zinc/64/36/36/356643636.db2.gz PTLZZEXXRHWWMI-ZWNOBZJWSA-N 1 0 323.349 1.387 20 5 DDBDRO O=C(C[NH2+][C@@H]1C[C@H](O)C12CCC2)Nc1ccccc1[N+](=O)[O-] ZINC000595779295 356648696 /nfs/dbraw/zinc/64/86/96/356648696.db2.gz BXODZMUNKKERCN-OLZOCXBDSA-N 1 0 305.334 1.426 20 5 DDBDRO CC[NH2+]CCNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000236991602 202113057 /nfs/dbraw/zinc/11/30/57/202113057.db2.gz YZRRLNUQFYCYKM-UHFFFAOYSA-N 1 0 306.366 1.534 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CC[C@H]3COC[C@@H]3C2)c1 ZINC000595826597 356665903 /nfs/dbraw/zinc/66/59/03/356665903.db2.gz AWPAMPVMNJOSFM-KCQAQPDRSA-N 1 0 322.361 1.303 20 5 DDBDRO NC(=O)c1ccc(C[N@@H+]2CC[C@H]3COC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000595828453 356667127 /nfs/dbraw/zinc/66/71/27/356667127.db2.gz FASTVKPTQAMWQI-QWHCGFSZSA-N 1 0 305.334 1.162 20 5 DDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)C[NH2+]C)cc1OC ZINC000595983085 356735339 /nfs/dbraw/zinc/73/53/39/356735339.db2.gz NPAVJIHBIXTOAH-SECBINFHSA-N 1 0 311.338 1.340 20 5 DDBDRO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCOC2(C[NH2+]C2)C1 ZINC000596099245 356771275 /nfs/dbraw/zinc/77/12/75/356771275.db2.gz QKKKJVTVERYCOL-UHFFFAOYSA-N 1 0 311.725 1.063 20 5 DDBDRO C[NH2+]C[C@H](C)NCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000596104401 356772728 /nfs/dbraw/zinc/77/27/28/356772728.db2.gz DGFKUWVHTKHYOJ-NSHDSACASA-N 1 0 303.366 1.693 20 5 DDBDRO COCCC[N@H+](C)CCNc1c(Cl)cncc1[N+](=O)[O-] ZINC000596140327 356788832 /nfs/dbraw/zinc/78/88/32/356788832.db2.gz GJLZFGCBCDSKFC-UHFFFAOYSA-N 1 0 302.762 1.445 20 5 DDBDRO COc1cc(OCC(=O)NC[C@H]2CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000237226550 202197003 /nfs/dbraw/zinc/19/70/03/202197003.db2.gz MYYLOACAXBWMAA-NSHDSACASA-N 1 0 323.349 1.098 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)n1 ZINC000596537543 356910311 /nfs/dbraw/zinc/91/03/11/356910311.db2.gz HLZGFFADSCEVTG-CQSZACIVSA-N 1 0 320.393 1.642 20 5 DDBDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000596476845 356892467 /nfs/dbraw/zinc/89/24/67/356892467.db2.gz UGEBBEDYLAMQME-LBPRGKRZSA-N 1 0 308.382 1.784 20 5 DDBDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000596816586 356984620 /nfs/dbraw/zinc/98/46/20/356984620.db2.gz KGPGUZMOOLBBEW-GFCCVEGCSA-N 1 0 321.381 1.654 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000597854985 357359110 /nfs/dbraw/zinc/35/91/10/357359110.db2.gz OKXKFGMGCKTLCM-GFCCVEGCSA-N 1 0 323.397 1.336 20 5 DDBDRO Cn1c(C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000598539697 357626881 /nfs/dbraw/zinc/62/68/81/357626881.db2.gz AJCGYMODYGPCGE-GFCCVEGCSA-N 1 0 324.381 1.116 20 5 DDBDRO COC(=O)c1ccnc(N2CC[C@@H]([NH+]3CC=CC3)C2)c1[N+](=O)[O-] ZINC000598599362 357648792 /nfs/dbraw/zinc/64/87/92/357648792.db2.gz MIHHTHUARHIRPU-LLVKDONJSA-N 1 0 318.333 1.227 20 5 DDBDRO C[C@@H]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H]1CO ZINC000598648473 357669180 /nfs/dbraw/zinc/66/91/80/357669180.db2.gz RYJWXIMRZIMVHH-GHMZBOCLSA-N 1 0 304.350 1.921 20 5 DDBDRO O=C(NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1c[nH]nc1[N+](=O)[O-] ZINC000598559782 357632054 /nfs/dbraw/zinc/63/20/54/357632054.db2.gz ZJOCTPWOESIWRB-NSHDSACASA-N 1 0 307.354 1.170 20 5 DDBDRO [NH3+][C@@]12CCC[C@@H]1CN(CC(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC000598681820 357684910 /nfs/dbraw/zinc/68/49/10/357684910.db2.gz JRLLNZVYQASBDT-IAQYHMDHSA-N 1 0 304.350 1.347 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000598682518 357685588 /nfs/dbraw/zinc/68/55/88/357685588.db2.gz OATIFWGITWVQOJ-MLGOLLRUSA-N 1 0 318.377 1.655 20 5 DDBDRO Cc1ccc(S(=O)(=O)N(C)CCC[NH3+])c(C)c1[N+](=O)[O-] ZINC000598716297 357701871 /nfs/dbraw/zinc/70/18/71/357701871.db2.gz IVCYEXQNPOYCCS-UHFFFAOYSA-N 1 0 301.368 1.181 20 5 DDBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H]1C[C@@H](O)C1 ZINC000599084675 357810463 /nfs/dbraw/zinc/81/04/63/357810463.db2.gz FAKCGYWNIGMEQT-GYSYKLTISA-N 1 0 307.350 1.672 20 5 DDBDRO O=[N+]([O-])c1c2ccncc2ccc1N1CC[C@H](O)[C@H](CO)C1 ZINC000599091059 357812711 /nfs/dbraw/zinc/81/27/11/357812711.db2.gz OBVPPFQSTINYSP-FZMZJTMJSA-N 1 0 303.318 1.323 20 5 DDBDRO Cc1cc(S(=O)(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)ccc1[N+](=O)[O-] ZINC000599104707 357816914 /nfs/dbraw/zinc/81/69/14/357816914.db2.gz NGERHEPGNKJMEO-GHMZBOCLSA-N 1 0 313.379 1.322 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000599110038 357818386 /nfs/dbraw/zinc/81/83/86/357818386.db2.gz CPRZJDMDBWBDHS-PHIMTYICSA-N 1 0 307.350 1.876 20 5 DDBDRO O=[N+]([O-])c1c(NCC[N@H+]2CC[C@@H](O)C2)ccc2cnccc21 ZINC000599175416 357840055 /nfs/dbraw/zinc/84/00/55/357840055.db2.gz ATFBQXVQPDLBNZ-GFCCVEGCSA-N 1 0 302.334 1.622 20 5 DDBDRO Cn1cc(CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)nn1 ZINC000599311723 357888059 /nfs/dbraw/zinc/88/80/59/357888059.db2.gz JXSJARQMDRGRTN-UHFFFAOYSA-N 1 0 301.350 1.930 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCCC(F)(F)CC1 ZINC000599551760 357971331 /nfs/dbraw/zinc/97/13/31/357971331.db2.gz AYUNRAURXIBCBY-UHFFFAOYSA-N 1 0 301.293 1.878 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@H]1COCC[NH2+]1 ZINC000599605143 357990819 /nfs/dbraw/zinc/99/08/19/357990819.db2.gz TXPRKLDSWIAKQK-NSHDSACASA-N 1 0 308.338 1.322 20 5 DDBDRO Cc1cc(NC(=O)NCC2([NH3+])CCOCC2)ccc1[N+](=O)[O-] ZINC000599615821 357993442 /nfs/dbraw/zinc/99/34/42/357993442.db2.gz YPWGSDVPPPGGGZ-UHFFFAOYSA-N 1 0 308.338 1.533 20 5 DDBDRO COC(=O)[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)[C@H]2CCC[C@@H]21 ZINC000599659044 358012690 /nfs/dbraw/zinc/01/26/90/358012690.db2.gz OAXNDBFFFKBLNB-MCIONIFRSA-N 1 0 322.365 1.455 20 5 DDBDRO Cc1c(CNC(=O)N[C@H]2CC[NH2+]C23CCC3)cccc1[N+](=O)[O-] ZINC000599916400 358079282 /nfs/dbraw/zinc/07/92/82/358079282.db2.gz AZCRSLCFGLKVKV-AWEZNQCLSA-N 1 0 318.377 1.987 20 5 DDBDRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)C[C@H]21 ZINC000600000416 358100884 /nfs/dbraw/zinc/10/08/84/358100884.db2.gz VRUILVGFXOVIID-HBYGRHMLSA-N 1 0 314.345 1.708 20 5 DDBDRO O=C(c1ccc([N+](=O)[O-])o1)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000600007429 358102327 /nfs/dbraw/zinc/10/23/27/358102327.db2.gz QOOFZBSTGMUEKF-UHFFFAOYSA-N 1 0 323.349 1.515 20 5 DDBDRO C[N@@H+]1CCCC[C@@H](CNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000600316296 358194919 /nfs/dbraw/zinc/19/49/19/358194919.db2.gz ZEGKZKQJOWBFFO-JTQLQIEISA-N 1 0 308.338 1.157 20 5 DDBDRO CC1([NH+]2CCOCC2)CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000600410839 358213523 /nfs/dbraw/zinc/21/35/23/358213523.db2.gz OJRHSDCYKLADBD-UHFFFAOYSA-N 1 0 323.349 1.515 20 5 DDBDRO O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000600469596 358232335 /nfs/dbraw/zinc/23/23/35/358232335.db2.gz CQUWBUNZCMNDQL-CYBMUJFWSA-N 1 0 321.381 1.315 20 5 DDBDRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000237350997 202241832 /nfs/dbraw/zinc/24/18/32/202241832.db2.gz DRQASLYYPDXUGT-RISCZKNCSA-N 1 0 307.350 1.702 20 5 DDBDRO O=[N+]([O-])c1cc2c(cc1CN[C@@H]1CC[NH2+]C13CCC3)OCCO2 ZINC000600678954 358281306 /nfs/dbraw/zinc/28/13/06/358281306.db2.gz QSANQJCAWBYKAU-OAHLLOKOSA-N 1 0 319.361 1.740 20 5 DDBDRO C[NH2+]C1(CNC(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)CCC1 ZINC000600826219 358326648 /nfs/dbraw/zinc/32/66/48/358326648.db2.gz YSOZSWWSXGUMNP-UHFFFAOYSA-N 1 0 321.333 1.253 20 5 DDBDRO C[NH+](C)C1CCN(CCNc2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000601125588 358412786 /nfs/dbraw/zinc/41/27/86/358412786.db2.gz OLOHDPWGALOOSI-UHFFFAOYSA-N 1 0 311.361 1.567 20 5 DDBDRO Cc1cc(S(=O)(=O)N2CC(C[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000601423733 358546656 /nfs/dbraw/zinc/54/66/56/358546656.db2.gz JQBSIUKWJJJJPP-UHFFFAOYSA-N 1 0 313.379 1.085 20 5 DDBDRO Cc1cc(S(=O)(=O)NCC2([NH+](C)C)CC2)c([N+](=O)[O-])s1 ZINC000601450020 358558740 /nfs/dbraw/zinc/55/87/40/358558740.db2.gz GDGQMDOZVTUEIU-UHFFFAOYSA-N 1 0 319.408 1.337 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000601557628 358600010 /nfs/dbraw/zinc/60/00/10/358600010.db2.gz JQBPFOCJFKLNDM-ONGXEEELSA-N 1 0 306.322 1.572 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000601558663 358600671 /nfs/dbraw/zinc/60/06/71/358600671.db2.gz RLWQDFVGBSQJAC-IUODEOHRSA-N 1 0 319.361 1.574 20 5 DDBDRO C[C@@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCOC1 ZINC000348140478 283387195 /nfs/dbraw/zinc/38/71/95/283387195.db2.gz KWPXWTGAVQMREL-CHWSQXEVSA-N 1 0 321.377 1.962 20 5 DDBDRO C[C@@H]1C[C@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@H](C)O1 ZINC000601968906 358758442 /nfs/dbraw/zinc/75/84/42/358758442.db2.gz OKFZSHGZEOCGJN-MPXAEWJHSA-N 1 0 310.350 1.490 20 5 DDBDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000348160651 283396242 /nfs/dbraw/zinc/39/62/42/283396242.db2.gz LTLVMHNZCCAKDJ-GHMZBOCLSA-N 1 0 317.349 1.475 20 5 DDBDRO O=C(N1CCC[NH2+]CC1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000602424921 358967385 /nfs/dbraw/zinc/96/73/85/358967385.db2.gz MXEREOJNUXQMHY-UHFFFAOYSA-N 1 0 303.362 1.838 20 5 DDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000602442428 358979102 /nfs/dbraw/zinc/97/91/02/358979102.db2.gz ALZRYKJGNZCQPT-OAHLLOKOSA-N 1 0 307.350 1.309 20 5 DDBDRO COCCN1CC[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602545509 359037311 /nfs/dbraw/zinc/03/73/11/359037311.db2.gz DOGLWDAISKYDCI-LLVKDONJSA-N 1 0 320.349 1.546 20 5 DDBDRO C[C@@H]1C[C@H]1N1C[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1=O ZINC000602560461 359046007 /nfs/dbraw/zinc/04/60/07/359046007.db2.gz ZSBSGUNAZDOFJD-UXIGCNINSA-N 1 0 303.362 1.736 20 5 DDBDRO CNc1ccc(C(=O)N2CCC[C@H]3C[NH2+]CC[C@@H]32)cc1[N+](=O)[O-] ZINC000602605031 359068622 /nfs/dbraw/zinc/06/86/22/359068622.db2.gz RLLDZYAPTXSBPY-JSGCOSHPSA-N 1 0 318.377 1.851 20 5 DDBDRO CO[C@@H]1COCC[C@@H]1C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602677331 359120755 /nfs/dbraw/zinc/12/07/55/359120755.db2.gz XOYCOMXDIZTKPU-QMTHXVAHSA-N 1 0 321.333 1.877 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CC3=CCOCC3)CC2)cn1 ZINC000602674320 359117793 /nfs/dbraw/zinc/11/77/93/359117793.db2.gz OJFIQRCAJDCEOE-UHFFFAOYSA-N 1 0 318.377 1.895 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]3CCC[C@H]3CO)CC2)cn1 ZINC000602682259 359123688 /nfs/dbraw/zinc/12/36/88/359123688.db2.gz PIWMABCSYKJHLE-WFASDCNBSA-N 1 0 320.393 1.709 20 5 DDBDRO C[C@]12C[N@H+](CCc3ccc([N+](=O)[O-])cc3)C[C@@]1(C)C(=O)NC2=O ZINC000602723838 359150255 /nfs/dbraw/zinc/15/02/55/359150255.db2.gz HPZGOCSCMMDSBB-IYBDPMFKSA-N 1 0 317.345 1.122 20 5 DDBDRO CO[C@H](C[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000602733100 359156126 /nfs/dbraw/zinc/15/61/26/359156126.db2.gz TUGOXEQDIPTDNH-APHBMKBZSA-N 1 0 324.377 1.443 20 5 DDBDRO CCC(=O)N[C@H]1CCC[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602770895 359178071 /nfs/dbraw/zinc/17/80/71/359178071.db2.gz ZQTXUZYMLRJDHL-LBPRGKRZSA-N 1 0 309.370 1.090 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](C(C)C)[C@H](CO)C(C)C ZINC000602843520 359232489 /nfs/dbraw/zinc/23/24/89/359232489.db2.gz WUAHSFKIACGHIK-HIFRSBDPSA-N 1 0 312.414 1.978 20 5 DDBDRO Cn1cc(CN2CCCN(c3cc[nH+]cc3)CC2)c([N+](=O)[O-])n1 ZINC000602851090 359238223 /nfs/dbraw/zinc/23/82/23/359238223.db2.gz YZFZHPFQCADEKR-UHFFFAOYSA-N 1 0 316.365 1.436 20 5 DDBDRO Cn1cc(C[NH2+][C@@H]2CCCC[C@@H]2N2CCOCC2)c([N+](=O)[O-])n1 ZINC000602813890 359209010 /nfs/dbraw/zinc/20/90/10/359209010.db2.gz AKBASYCXCCPUAZ-KGLIPLIRSA-N 1 0 323.397 1.061 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@H](C(=O)NC(C)C)C1 ZINC000602904260 359283940 /nfs/dbraw/zinc/28/39/40/359283940.db2.gz VRUXAUOCZMLZIR-ZDUSSCGKSA-N 1 0 323.397 1.336 20 5 DDBDRO C[NH+](C)CCc1cn(CCOc2ccccc2[N+](=O)[O-])nn1 ZINC000603200490 359476172 /nfs/dbraw/zinc/47/61/72/359476172.db2.gz IQMJUPGRWYIMAS-UHFFFAOYSA-N 1 0 305.338 1.369 20 5 DDBDRO CC[NH2+]Cc1cn(Cc2cc(OC)c(F)cc2[N+](=O)[O-])nn1 ZINC000603236529 359504632 /nfs/dbraw/zinc/50/46/32/359504632.db2.gz ITIRGLVCTAQZBZ-UHFFFAOYSA-N 1 0 309.301 1.492 20 5 DDBDRO C[NH2+]C(C)(C)c1cn(Cc2c(F)cc([N+](=O)[O-])cc2F)nn1 ZINC000603248041 359514248 /nfs/dbraw/zinc/51/42/48/359514248.db2.gz OQJPCAIYIXEOKA-UHFFFAOYSA-N 1 0 311.292 1.967 20 5 DDBDRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000186899391 200028490 /nfs/dbraw/zinc/02/84/90/200028490.db2.gz MYQCKBMQOHNILS-GXFFZTMASA-N 1 0 309.391 1.801 20 5 DDBDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000186899374 200028904 /nfs/dbraw/zinc/02/89/04/200028904.db2.gz MYQCKBMQOHNILS-ZWNOBZJWSA-N 1 0 309.391 1.801 20 5 DDBDRO C[C@@H]1COCC[N@@H+]1C1CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000603403026 359618563 /nfs/dbraw/zinc/61/85/63/359618563.db2.gz QRWIAHMHTSLZBM-LLVKDONJSA-N 1 0 322.365 1.385 20 5 DDBDRO Cn1cc(CN2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)c([N+](=O)[O-])n1 ZINC000603429703 359634652 /nfs/dbraw/zinc/63/46/52/359634652.db2.gz PHURJHUKGGHWEX-KGLIPLIRSA-N 1 0 323.397 1.047 20 5 DDBDRO Cn1cc(C[N@@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c([N+](=O)[O-])n1 ZINC000603431401 359636020 /nfs/dbraw/zinc/63/60/20/359636020.db2.gz WTRWYUQXPPVKMW-IACUBPJLSA-N 1 0 323.397 1.047 20 5 DDBDRO CC[C@@]1(CO)CCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000187592627 200132361 /nfs/dbraw/zinc/13/23/61/200132361.db2.gz FZHXHBZMTOXQAF-MRXNPFEDSA-N 1 0 321.377 1.678 20 5 DDBDRO C[NH+](C)CCn1cc(NC(=O)c2ccc([N+](=O)[O-])s2)cn1 ZINC000604511241 359758923 /nfs/dbraw/zinc/75/89/23/359758923.db2.gz KAXJGFNHGVFRJJ-UHFFFAOYSA-N 1 0 309.351 1.667 20 5 DDBDRO Cc1ccc(NCCCNC(=O)[C@@H]2CC[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000237667791 202323177 /nfs/dbraw/zinc/32/31/77/202323177.db2.gz FRINTXWGLPYQNC-OLZOCXBDSA-N 1 0 320.393 1.949 20 5 DDBDRO C[NH+](C)CC1(NC(=O)COc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000281122909 216095162 /nfs/dbraw/zinc/09/51/62/216095162.db2.gz SLNGRQBVJHNYGG-UHFFFAOYSA-N 1 0 307.350 1.574 20 5 DDBDRO [NH3+]C[C@@H](NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)C1CC1 ZINC000237806280 202358915 /nfs/dbraw/zinc/35/89/15/202358915.db2.gz LQOFITUAGJFKEN-CQSZACIVSA-N 1 0 315.333 1.248 20 5 DDBDRO CCCN(CCC[NH+](C)C)C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000189267197 200373553 /nfs/dbraw/zinc/37/35/53/200373553.db2.gz ZCMVHMYFTRILHD-UHFFFAOYSA-N 1 0 310.354 1.499 20 5 DDBDRO COCCCCC[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000609137104 360264805 /nfs/dbraw/zinc/26/48/05/360264805.db2.gz OIHUNHPAQDUDRU-UHFFFAOYSA-N 1 0 308.382 1.929 20 5 DDBDRO CCOC[C@@H](O)C[NH+]1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000609260836 360282070 /nfs/dbraw/zinc/28/20/70/360282070.db2.gz YIPCRLNMYSICQV-INIZCTEOSA-N 1 0 323.393 1.110 20 5 DDBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000609851192 360356051 /nfs/dbraw/zinc/35/60/51/360356051.db2.gz RLRGBDSEGBYRKN-GFCCVEGCSA-N 1 0 309.370 1.172 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC[N@H+](C[C@@H]3CCCO3)CC2)nc1 ZINC000610489100 360449545 /nfs/dbraw/zinc/44/95/45/360449545.db2.gz AYZDOHUFMDZDOW-AWEZNQCLSA-N 1 0 306.366 1.681 20 5 DDBDRO CN(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C[C@H]1CCCO1 ZINC000611253852 360680986 /nfs/dbraw/zinc/68/09/86/360680986.db2.gz XNSYMTMFXAMKRQ-GFCCVEGCSA-N 1 0 308.334 1.977 20 5 DDBDRO COC[C@@H]1CC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611271425 360685292 /nfs/dbraw/zinc/68/52/92/360685292.db2.gz GJZJSTUQHPOAAH-LLVKDONJSA-N 1 0 308.334 1.834 20 5 DDBDRO C[C@H](O)[C@@H]1CC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611561474 360760787 /nfs/dbraw/zinc/76/07/87/360760787.db2.gz JKYVDYALLWVJPW-WDEREUQCSA-N 1 0 308.334 1.569 20 5 DDBDRO Cc1ccncc1[C@@H](C)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000611939627 360862742 /nfs/dbraw/zinc/86/27/42/360862742.db2.gz SAIPGHGIPLZEJM-DGCLKSJQSA-N 1 0 305.338 1.206 20 5 DDBDRO CCO[C@H]1CCC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000612030392 360894626 /nfs/dbraw/zinc/89/46/26/360894626.db2.gz UMSDEWJTKNQMKR-KBPBESRZSA-N 1 0 324.377 1.835 20 5 DDBDRO COc1cc(C(=O)N2CC[C@@H](C[NH+](C)C)C2)cc([N+](=O)[O-])c1C ZINC000191794103 200764254 /nfs/dbraw/zinc/76/42/54/200764254.db2.gz RIMFAERZDKDSAF-LBPRGKRZSA-N 1 0 321.377 1.936 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1CN1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000193625051 201090484 /nfs/dbraw/zinc/09/04/84/201090484.db2.gz PJAFRRFBIPBKPI-OKILXGFUSA-N 1 0 305.378 1.987 20 5 DDBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](n3cc(CO)nn3)C2)cc1 ZINC000292916558 223308004 /nfs/dbraw/zinc/30/80/04/223308004.db2.gz HXIFUZHPBRIBDE-OAHLLOKOSA-N 1 0 317.349 1.516 20 5 DDBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H](O)C1CC1 ZINC000349015559 283806183 /nfs/dbraw/zinc/80/61/83/283806183.db2.gz YKWOZZRBLYWQRN-YGRLFVJLSA-N 1 0 307.350 1.672 20 5 DDBDRO O=C(NCC[C@@H]1CC[NH2+]C1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000566236839 304131646 /nfs/dbraw/zinc/13/16/46/304131646.db2.gz BQFCEUNPTSRFJO-VIFPVBQESA-N 1 0 307.306 1.053 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261638942 203086190 /nfs/dbraw/zinc/08/61/90/203086190.db2.gz AOKSRUVYRXMZCD-BETUJISGSA-N 1 0 319.361 1.432 20 5 DDBDRO COc1ccc(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1[N+](=O)[O-] ZINC000261787784 203116747 /nfs/dbraw/zinc/11/67/47/203116747.db2.gz LRHPMJXQZIXXMQ-BETUJISGSA-N 1 0 319.361 1.675 20 5 DDBDRO COc1cc(C(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000261804102 203120641 /nfs/dbraw/zinc/12/06/41/203120641.db2.gz FYIMOLUPRZZPLT-NXEZZACHSA-N 1 0 323.349 1.421 20 5 DDBDRO O=[N+]([O-])c1cnc(N2C[C@@H]3C[NH2+]C[C@H]3C2)c(Br)c1 ZINC000093434455 193250466 /nfs/dbraw/zinc/25/04/66/193250466.db2.gz DNUYIZSFKVFDCO-YUMQZZPRSA-N 1 0 313.155 1.408 20 5 DDBDRO COc1cc(OCC(=O)N[C@H]2CC[NH2+][C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000262961744 203421176 /nfs/dbraw/zinc/42/11/76/203421176.db2.gz WPTUBFOGZVLCAQ-QWRGUYRKSA-N 1 0 323.349 1.239 20 5 DDBDRO C[C@H](Cn1cccn1)[NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000264836669 204195466 /nfs/dbraw/zinc/19/54/66/204195466.db2.gz FHIFJVCFYWSKBH-VXGBXAGGSA-N 1 0 317.349 1.797 20 5 DDBDRO Cc1n[nH]c(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)c1[N+](=O)[O-] ZINC000265374724 204565531 /nfs/dbraw/zinc/56/55/31/204565531.db2.gz PHVIFCABWONSMN-SNVBAGLBSA-N 1 0 311.386 1.723 20 5 DDBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000288249720 220042549 /nfs/dbraw/zinc/04/25/49/220042549.db2.gz GAFYIULEFCMPGT-STQMWFEESA-N 1 0 321.381 1.267 20 5 DDBDRO [NH3+]CC[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000307828172 248836032 /nfs/dbraw/zinc/83/60/32/248836032.db2.gz XGGSGUVTCJBHEV-JTQLQIEISA-N 1 0 305.256 1.533 20 5 DDBDRO CCC(C)(C)NC(=O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000331143116 248872137 /nfs/dbraw/zinc/87/21/37/248872137.db2.gz MSDBMQJNUMKTHJ-UHFFFAOYSA-N 1 0 323.397 1.733 20 5 DDBDRO C[C@H](CO)[C@H](C)[NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000274007856 211264628 /nfs/dbraw/zinc/26/46/28/211264628.db2.gz LLONWXSQNXNPIM-ZJUUUORDSA-N 1 0 306.322 1.751 20 5 DDBDRO COCCN(CC[NH+](C)C)C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000104556457 194015741 /nfs/dbraw/zinc/01/57/41/194015741.db2.gz RHSOYUVQVMOJPP-UHFFFAOYSA-N 1 0 324.381 1.043 20 5 DDBDRO Cc1cccc(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])n1 ZINC000567581577 304227405 /nfs/dbraw/zinc/22/74/05/304227405.db2.gz IDASGXZUQXLDGM-CQSZACIVSA-N 1 0 317.345 1.828 20 5 DDBDRO COC(=O)[C@@H]1CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000340407407 251051896 /nfs/dbraw/zinc/05/18/96/251051896.db2.gz KSMBDZAHCOCBFD-GFCCVEGCSA-N 1 0 308.334 1.859 20 5 DDBDRO CN(CCC[NH+](C)C)C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC000111151930 194396298 /nfs/dbraw/zinc/39/62/98/194396298.db2.gz NXZWNUJVWBWDSE-UHFFFAOYSA-N 1 0 314.773 1.854 20 5 DDBDRO C[C@@H]([NH2+][C@@H](C)C(=O)NC(=O)NC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000056196675 184006986 /nfs/dbraw/zinc/00/69/86/184006986.db2.gz GCYYIFNOMLEBKH-ZJUUUORDSA-N 1 0 320.349 1.622 20 5 DDBDRO CC(C)[N@H+](C[C@@H](C)O)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000340792999 251214947 /nfs/dbraw/zinc/21/49/47/251214947.db2.gz RSKKZYYRHIROAK-TZMCWYRMSA-N 1 0 312.366 1.426 20 5 DDBDRO O=C(CN1CCC[NH2+]CC1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000061270491 184167092 /nfs/dbraw/zinc/16/70/92/184167092.db2.gz FDKMPKRKBBYCRT-UHFFFAOYSA-N 1 0 312.757 1.482 20 5 DDBDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000341052807 251357367 /nfs/dbraw/zinc/35/73/67/251357367.db2.gz FXHDSUSTZANVNR-VXGBXAGGSA-N 1 0 309.370 1.170 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000341062319 251362402 /nfs/dbraw/zinc/36/24/02/251362402.db2.gz PTDMHUDCRINCOH-TXEJJXNPSA-N 1 0 323.397 1.479 20 5 DDBDRO CC1(C)SC[C@@H]1[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000567708853 304236068 /nfs/dbraw/zinc/23/60/68/304236068.db2.gz XXRSJUBJDJCURR-AAEUAGOBSA-N 1 0 312.391 1.818 20 5 DDBDRO O=C(CC[NH2+]CC1(CCO)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000567734405 304238642 /nfs/dbraw/zinc/23/86/42/304238642.db2.gz HMLKNRHZYUJFJU-UHFFFAOYSA-N 1 0 307.350 1.676 20 5 DDBDRO CC(C)[C@@H]([NH3+])CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000269250219 207389215 /nfs/dbraw/zinc/38/92/15/207389215.db2.gz GDWUDPCSEHCJFB-ZDUSSCGKSA-N 1 0 320.393 1.908 20 5 DDBDRO COC[C@@]1(CNC(=O)Nc2cc([N+](=O)[O-])ccc2C)CCC[NH2+]1 ZINC000414654763 532955942 /nfs/dbraw/zinc/95/59/42/532955942.db2.gz GNYXZPSBHORFPW-HNNXBMFYSA-N 1 0 322.365 1.793 20 5 DDBDRO COc1cc(C[N@@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000352404118 285027904 /nfs/dbraw/zinc/02/79/04/285027904.db2.gz CGCLMCGKIYZDIR-JQWIXIFHSA-N 1 0 307.350 1.689 20 5 DDBDRO CNC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000352412051 285033359 /nfs/dbraw/zinc/03/33/59/285033359.db2.gz BKPHKYYWYLVOMD-TVQRCGJNSA-N 1 0 313.304 1.877 20 5 DDBDRO CN(C)CC[N@H+](C)CCCNC(=O)c1csc([N+](=O)[O-])c1 ZINC000288744058 220385416 /nfs/dbraw/zinc/38/54/16/220385416.db2.gz PPLXEHOWDKCPIE-UHFFFAOYSA-N 1 0 314.411 1.270 20 5 DDBDRO CCC[C@]1(CO)CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000288754319 220393990 /nfs/dbraw/zinc/39/39/90/220393990.db2.gz IGOBWFDBXGGZND-HNNXBMFYSA-N 1 0 309.366 1.241 20 5 DDBDRO O=[N+]([O-])c1ccccc1N1CC[NH+](CCC2OCCO2)CC1 ZINC000185323782 285163565 /nfs/dbraw/zinc/16/35/65/285163565.db2.gz CFGWHQJWTYVSGB-UHFFFAOYSA-N 1 0 307.350 1.480 20 5 DDBDRO O=[N+]([O-])c1cccnc1N1CC[NH+](C[C@@H]2CCCOC2)CC1 ZINC000453581903 285166240 /nfs/dbraw/zinc/16/62/40/285166240.db2.gz VNSFVQKUIZUYAH-ZDUSSCGKSA-N 1 0 306.366 1.538 20 5 DDBDRO CC(C)C(=O)NCC[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000157558919 197197272 /nfs/dbraw/zinc/19/72/72/197197272.db2.gz TUGRHVFTBLTSOW-UHFFFAOYSA-N 1 0 309.366 1.678 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000415500929 533140839 /nfs/dbraw/zinc/14/08/39/533140839.db2.gz MDWOWMHVAFPSAP-MWLCHTKSSA-N 1 0 308.338 1.723 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C2CC(F)(F)C2)c1 ZINC000568078295 304267183 /nfs/dbraw/zinc/26/71/83/304267183.db2.gz MLJSIOZEJRAUGV-NSHDSACASA-N 1 0 302.277 1.722 20 5 DDBDRO COC(=O)C1(C)C[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000424136552 533185936 /nfs/dbraw/zinc/18/59/36/533185936.db2.gz QWYOZTUZTYLUTR-UHFFFAOYSA-N 1 0 321.333 1.418 20 5 DDBDRO CC[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000289530330 221043999 /nfs/dbraw/zinc/04/39/99/221043999.db2.gz JEHUEUKPTFXCEX-QWHCGFSZSA-N 1 0 321.333 1.708 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000414658324 533225418 /nfs/dbraw/zinc/22/54/18/533225418.db2.gz QKBJOBFKUSNUBI-HNNXBMFYSA-N 1 0 320.349 1.821 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000414656176 533225886 /nfs/dbraw/zinc/22/58/86/533225886.db2.gz MSSGPIROWOFFNC-MNOVXSKESA-N 1 0 320.349 1.677 20 5 DDBDRO CC(C)[C@](C)(CO)[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000352894000 285367712 /nfs/dbraw/zinc/36/77/12/285367712.db2.gz QOYAIRNJFYDKAI-HNNXBMFYSA-N 1 0 310.350 1.958 20 5 DDBDRO C[NH2+]CCCNS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000122962218 195526193 /nfs/dbraw/zinc/52/61/93/195526193.db2.gz LAHYDGJTFPABAN-UHFFFAOYSA-N 1 0 301.368 1.099 20 5 DDBDRO Cc1n[nH]c(C(=O)NCCC[NH2+]C2CCCCC2)c1[N+](=O)[O-] ZINC000419913524 533665887 /nfs/dbraw/zinc/66/58/87/533665887.db2.gz ZNFCNSFVGXLIRA-UHFFFAOYSA-N 1 0 309.370 1.669 20 5 DDBDRO O=C(NC1CC[NH2+]CC1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000568371362 304288285 /nfs/dbraw/zinc/28/82/85/304288285.db2.gz AOJPQEDTKCOKFJ-UHFFFAOYSA-N 1 0 304.350 1.415 20 5 DDBDRO Cn1ccnc1[C@H](NCCC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000353444063 285735980 /nfs/dbraw/zinc/73/59/80/285735980.db2.gz FSDMYZFLSSOTKC-OAHLLOKOSA-N 1 0 317.393 1.959 20 5 DDBDRO CNc1ccc(C(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000569926884 304384504 /nfs/dbraw/zinc/38/45/04/304384504.db2.gz YASKPGDCHTUPJX-CMPLNLGQSA-N 1 0 306.366 1.884 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)c1 ZINC000284896884 286382928 /nfs/dbraw/zinc/38/29/28/286382928.db2.gz HHRAINCVHLNRLZ-GJZGRUSLSA-N 1 0 307.350 1.513 20 5 DDBDRO C[C@H]1CC[NH2+][C@H](C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000570035638 304391445 /nfs/dbraw/zinc/39/14/45/304391445.db2.gz OLLAPTWTLWHMSI-FZMZJTMJSA-N 1 0 307.350 1.478 20 5 DDBDRO O=C(N[C@@H]1C[C@@H]1C1CC[NH2+]CC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000361083848 306991816 /nfs/dbraw/zinc/99/18/16/306991816.db2.gz ZMHPLBOVSXBOOU-CHWSQXEVSA-N 1 0 307.325 1.852 20 5 DDBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@H](C)N1CC[NH+](CC)CC1 ZINC000360960361 299783172 /nfs/dbraw/zinc/78/31/72/299783172.db2.gz KUBXSIUFUJEOLK-LBPRGKRZSA-N 1 0 324.429 1.558 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000044492701 407024539 /nfs/dbraw/zinc/02/45/39/407024539.db2.gz BTAOATIAJIKIOO-NSHDSACASA-N 1 0 313.379 1.324 20 5 DDBDRO C[C@@H]1C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1c1ccccc1 ZINC000081573399 407077569 /nfs/dbraw/zinc/07/75/69/407077569.db2.gz GWEXASAPDQAIKV-KCXAZCMYSA-N 1 0 316.361 1.845 20 5 DDBDRO CCC[N@@H+]1CCCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000090548986 407169191 /nfs/dbraw/zinc/16/91/91/407169191.db2.gz GRABVJZIMWMDMU-UHFFFAOYSA-N 1 0 308.382 1.174 20 5 DDBDRO C[NH+](C)CC(C)(C)CNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000104213811 407349884 /nfs/dbraw/zinc/34/98/84/407349884.db2.gz HZODSOPKLCZGQM-UHFFFAOYSA-N 1 0 308.382 1.711 20 5 DDBDRO CN(Cc1nccn1C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000124624009 407364465 /nfs/dbraw/zinc/36/44/65/407364465.db2.gz VJACJFALJALWKF-ZDUSSCGKSA-N 1 0 320.349 1.200 20 5 DDBDRO CN(C(=O)C[N@H+](C)C[C@@H]1CCCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000107694963 407377893 /nfs/dbraw/zinc/37/78/93/407377893.db2.gz DUOFPMUULPFVTK-ZDUSSCGKSA-N 1 0 321.377 1.916 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+](Cc2ccncc2)C2CC2)c1 ZINC000124861086 407372008 /nfs/dbraw/zinc/37/20/08/407372008.db2.gz BAPWVLVMJVBGOC-OAHLLOKOSA-N 1 0 317.349 1.212 20 5 DDBDRO CN(C(=O)COc1ccc([N+](=O)[O-])c(F)c1)C1CC[NH2+]CC1 ZINC000125417501 407387875 /nfs/dbraw/zinc/38/78/75/407387875.db2.gz IVODFULSXVAQIR-UHFFFAOYSA-N 1 0 311.313 1.323 20 5 DDBDRO CC[N@@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C1 ZINC000107894127 407381044 /nfs/dbraw/zinc/38/10/44/407381044.db2.gz YKPMVPRUJSFGPU-LBPRGKRZSA-N 1 0 320.393 1.732 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[C@H]([NH+](C)C)C1 ZINC000109808095 407398101 /nfs/dbraw/zinc/39/81/01/407398101.db2.gz IKEGSGFHYNYGMY-ZDUSSCGKSA-N 1 0 320.393 1.868 20 5 DDBDRO CCCC[N@H+](C)CCNC(=O)c1[nH]nc(CCC)c1[N+](=O)[O-] ZINC000112401144 407428135 /nfs/dbraw/zinc/42/81/35/407428135.db2.gz QQZHLJPQQFKRNZ-UHFFFAOYSA-N 1 0 311.386 1.732 20 5 DDBDRO C[NH+]1CCC(CNC(=O)Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000151454187 407439942 /nfs/dbraw/zinc/43/99/42/407439942.db2.gz MRZIEJKIEBXOPY-UHFFFAOYSA-N 1 0 309.341 1.734 20 5 DDBDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000185592444 407457724 /nfs/dbraw/zinc/45/77/24/407457724.db2.gz BBHFTWPBBIMRIZ-LLVKDONJSA-N 1 0 321.381 1.422 20 5 DDBDRO O=C(NC[C@@H]1CCC[NH2+]1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000178739160 407575340 /nfs/dbraw/zinc/57/53/40/407575340.db2.gz VILLWDLDFSLNNF-LBPRGKRZSA-N 1 0 304.350 1.651 20 5 DDBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000178632977 407520600 /nfs/dbraw/zinc/52/06/00/407520600.db2.gz OTVMHRMIFUDWKR-QWHCGFSZSA-N 1 0 318.377 1.702 20 5 DDBDRO COCC[NH2+]CCNC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000271119766 407526123 /nfs/dbraw/zinc/52/61/23/407526123.db2.gz JEIAYBSMRRLEJY-UHFFFAOYSA-N 1 0 324.381 1.139 20 5 DDBDRO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H]1CCOC1 ZINC000266192286 407533502 /nfs/dbraw/zinc/53/35/02/407533502.db2.gz ZBJITSIISFHXKH-WDEREUQCSA-N 1 0 308.334 1.976 20 5 DDBDRO C[C@@]1(C[NH3+])CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000261737964 407596234 /nfs/dbraw/zinc/59/62/34/407596234.db2.gz DDGVDICTZJENNL-HNNXBMFYSA-N 1 0 306.366 1.594 20 5 DDBDRO COCC[N@H+](C)CCNC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000171199289 407628624 /nfs/dbraw/zinc/62/86/24/407628624.db2.gz WPBRHQNSJOCWDS-GFCCVEGCSA-N 1 0 324.381 1.533 20 5 DDBDRO COc1cc(-c2nc(C3([NH3+])CCC3)no2)c([N+](=O)[O-])cc1OC ZINC000261826320 407631840 /nfs/dbraw/zinc/63/18/40/407631840.db2.gz QYYXIZVUYXQCQF-UHFFFAOYSA-N 1 0 320.305 2.000 20 5 DDBDRO C[NH2+]CC1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000152238560 407592101 /nfs/dbraw/zinc/59/21/01/407592101.db2.gz XCZSNIACTKEQEK-UHFFFAOYSA-N 1 0 307.350 1.432 20 5 DDBDRO CN(C(=O)C[NH2+]C1(CO)CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000179062987 407711247 /nfs/dbraw/zinc/71/12/47/407711247.db2.gz SUCUDKNGONNVMO-UHFFFAOYSA-N 1 0 307.350 1.452 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCCC[C@@H]1CO ZINC000153098466 407752331 /nfs/dbraw/zinc/75/23/31/407752331.db2.gz RHMFVZQBCJPCIV-GFCCVEGCSA-N 1 0 323.349 1.389 20 5 DDBDRO C[NH+](C)[C@]1(CNC(=O)c2ccc([N+](=O)[O-])cc2)CCSC1 ZINC000267056446 407733500 /nfs/dbraw/zinc/73/35/00/407733500.db2.gz AVWGRFRTABQBSR-AWEZNQCLSA-N 1 0 309.391 1.762 20 5 DDBDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000186755908 407766029 /nfs/dbraw/zinc/76/60/29/407766029.db2.gz HKYPRQOCVOWYLG-LLVKDONJSA-N 1 0 321.381 1.566 20 5 DDBDRO O=C(C1C[NH2+]C1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000262245135 407776612 /nfs/dbraw/zinc/77/66/12/407776612.db2.gz OPVGIPUJDJLLAJ-UHFFFAOYSA-N 1 0 305.334 1.184 20 5 DDBDRO CC[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000182318293 306703827 /nfs/dbraw/zinc/70/38/27/306703827.db2.gz VCAWSZZXMRKBRZ-JSGCOSHPSA-N 1 0 307.350 1.741 20 5 DDBDRO Cc1nn(CCC(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])c(C)c1[N+](=O)[O-] ZINC000237496434 407823186 /nfs/dbraw/zinc/82/31/86/407823186.db2.gz LABLUZMZRUNRNN-MFKMUULPSA-N 1 0 323.397 1.384 20 5 DDBDRO C[NH2+]C[C@H](C)CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000133199914 407824048 /nfs/dbraw/zinc/82/40/48/407824048.db2.gz AANIFBRZVJUEQF-VIFPVBQESA-N 1 0 301.368 1.037 20 5 DDBDRO CC[NH2+][C@H](C)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000262439142 407836992 /nfs/dbraw/zinc/83/69/92/407836992.db2.gz HDEBLMCRLBDURR-SNVBAGLBSA-N 1 0 301.368 1.180 20 5 DDBDRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000238006730 407865849 /nfs/dbraw/zinc/86/58/49/407865849.db2.gz VJPULZMUMWDYHV-BXUZGUMPSA-N 1 0 307.350 1.607 20 5 DDBDRO CN(C(=O)CCNc1ccccc1[N+](=O)[O-])[C@H]1CCC[N@H+](C)C1 ZINC000153721150 407888016 /nfs/dbraw/zinc/88/80/16/407888016.db2.gz CGXSTGQGPRJLKX-ZDUSSCGKSA-N 1 0 320.393 1.949 20 5 DDBDRO C[C@@H](CNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000272554504 407979725 /nfs/dbraw/zinc/97/97/25/407979725.db2.gz PCLGCJPKBBZFDS-VIFPVBQESA-N 1 0 301.293 1.753 20 5 DDBDRO Cc1cc(S(=O)(=O)N[C@H]2CC[NH2+]C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000262752911 407917275 /nfs/dbraw/zinc/91/72/75/407917275.db2.gz GYJHYHQWXDAIRO-JQWIXIFHSA-N 1 0 313.379 1.180 20 5 DDBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000268158911 407920310 /nfs/dbraw/zinc/92/03/10/407920310.db2.gz HNJFNEJZLORCAO-UFBFGSQYSA-N 1 0 322.340 1.529 20 5 DDBDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000245638994 408032296 /nfs/dbraw/zinc/03/22/96/408032296.db2.gz ARJHYFJUWAIJNK-AXFHLTTASA-N 1 0 309.370 1.414 20 5 DDBDRO O=[N+]([O-])c1cnn(CCN2CC[NH+](CC3CCCCC3)CC2)c1 ZINC000174834506 407995920 /nfs/dbraw/zinc/99/59/20/407995920.db2.gz WCKZRMYUDSGBGV-UHFFFAOYSA-N 1 0 321.425 1.989 20 5 DDBDRO COc1cc(C(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)cc([N+](=O)[O-])c1OC ZINC000272589900 407998971 /nfs/dbraw/zinc/99/89/71/407998971.db2.gz PJBRRXIBHNBZRP-UWVGGRQHSA-N 1 0 323.349 1.434 20 5 DDBDRO C[C@H](NC(=O)c1c(N)cccc1[N+](=O)[O-])C1=CC[N@H+](C)CC1 ZINC000272738697 408012319 /nfs/dbraw/zinc/01/23/19/408012319.db2.gz CLEHEUDGEADIMX-JTQLQIEISA-N 1 0 304.350 1.557 20 5 DDBDRO CN(C)C(=O)CC[NH+]1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000268489300 408067576 /nfs/dbraw/zinc/06/75/76/408067576.db2.gz PPXGNLCHGFGSLU-UHFFFAOYSA-N 1 0 320.393 1.191 20 5 DDBDRO NC(=O)c1ccc(C[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000155525853 408176938 /nfs/dbraw/zinc/17/69/38/408176938.db2.gz SUENZZMPOSULBG-UKRRQHHQSA-N 1 0 319.361 1.695 20 5 DDBDRO Cc1c(C(=O)NC[C@@H](C)N2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000263773609 408248952 /nfs/dbraw/zinc/24/89/52/408248952.db2.gz NJGXTDJQDDFTIN-GFCCVEGCSA-N 1 0 320.393 1.269 20 5 DDBDRO CCOCCC[N@@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000273572936 408251298 /nfs/dbraw/zinc/25/12/98/408251298.db2.gz DMZVKHCBNHDWEH-GXTWGEPZSA-N 1 0 323.397 1.934 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000269333257 408274520 /nfs/dbraw/zinc/27/45/20/408274520.db2.gz AUCGKSRMPUCEEX-WDEREUQCSA-N 1 0 323.397 1.900 20 5 DDBDRO O=[N+]([O-])c1cnn(CCN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000134916888 162090621 /nfs/dbraw/zinc/09/06/21/162090621.db2.gz KSAGSJCWHRTRND-CZUORRHYSA-N 1 0 319.409 1.740 20 5 DDBDRO C[NH2+]CCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000165857566 162163662 /nfs/dbraw/zinc/16/36/62/162163662.db2.gz YAKYTVAWZUIWTI-UHFFFAOYSA-N 1 0 302.128 1.307 20 5 DDBDRO CC[NH+](CC)CCN(CCOC)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000264108198 408369847 /nfs/dbraw/zinc/36/98/47/408369847.db2.gz BLYXJKWMVKBXDG-UHFFFAOYSA-N 1 0 313.354 1.618 20 5 DDBDRO CC(=O)NCC1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000269666825 408384300 /nfs/dbraw/zinc/38/43/00/408384300.db2.gz MAXCLLKMVMXSEC-MRXNPFEDSA-N 1 0 321.377 1.476 20 5 DDBDRO Cc1nc(N[C@@H](C)CC[NH+]2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000274526599 408437297 /nfs/dbraw/zinc/43/72/97/408437297.db2.gz XUQOYQFZNHZADF-LBPRGKRZSA-N 1 0 307.398 1.736 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)n1 ZINC000191789296 408493128 /nfs/dbraw/zinc/49/31/28/408493128.db2.gz NABKWVDFGJGSJG-GFCCVEGCSA-N 1 0 323.397 1.661 20 5 DDBDRO Cc1c(C(=O)NC[C@H](O)C[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000160673489 408510957 /nfs/dbraw/zinc/51/09/57/408510957.db2.gz CBEBNCOOSXWGAY-ZDUSSCGKSA-N 1 0 321.377 1.480 20 5 DDBDRO C[NH+](C)C[C@@](C)(O)CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000269923804 408470128 /nfs/dbraw/zinc/47/01/28/408470128.db2.gz QLTCXODEFARGKI-HNNXBMFYSA-N 1 0 320.349 1.119 20 5 DDBDRO C[NH+](C)C/C=C/C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000264621092 408545024 /nfs/dbraw/zinc/54/50/24/408545024.db2.gz LACTWLBHOFPJQT-VMPITWQZSA-N 1 0 318.377 1.361 20 5 DDBDRO COc1cc(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)ccc1[N+](=O)[O-] ZINC000248620037 408601399 /nfs/dbraw/zinc/60/13/99/408601399.db2.gz MUMKBEYOYZSZAO-SDDRHHMPSA-N 1 0 305.334 1.413 20 5 DDBDRO Cn1cc(C[NH2+]C[C@@H](O)C2CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000265213159 408579925 /nfs/dbraw/zinc/57/99/25/408579925.db2.gz DSKWLCKTFQAVTF-OAHLLOKOSA-N 1 0 316.361 1.856 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000270581545 408587596 /nfs/dbraw/zinc/58/75/96/408587596.db2.gz QVXCVEMUKFRXSA-AWEZNQCLSA-N 1 0 320.393 1.317 20 5 DDBDRO Nc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000184379679 408603984 /nfs/dbraw/zinc/60/39/84/408603984.db2.gz DGVFQXJCGYBHLI-NSHDSACASA-N 1 0 319.365 1.272 20 5 DDBDRO CC(C)OC(=O)C[C@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000184453465 408620507 /nfs/dbraw/zinc/62/05/07/408620507.db2.gz XTUUMZBHAFCUBC-CYBMUJFWSA-N 1 0 324.381 1.845 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC(OC[C@@H]3CCCO3)CC2)n1 ZINC000177448469 408621353 /nfs/dbraw/zinc/62/13/53/408621353.db2.gz WCLFZAAXZOIKIA-AWEZNQCLSA-N 1 0 324.381 1.451 20 5 DDBDRO COC(=O)CN(C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000192807215 408652592 /nfs/dbraw/zinc/65/25/92/408652592.db2.gz ZXZLGKZDNUDQCY-UHFFFAOYSA-N 1 0 309.322 1.337 20 5 DDBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)[C@H]1CCN(C)C1=O ZINC000265625098 408717064 /nfs/dbraw/zinc/71/70/64/408717064.db2.gz CRTKXHGKODBHIE-MFKMUULPSA-N 1 0 320.349 1.084 20 5 DDBDRO CC[NH+](CC)CCNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000193648710 408734753 /nfs/dbraw/zinc/73/47/53/408734753.db2.gz DPDNKTWYTAWPGX-UHFFFAOYSA-N 1 0 309.366 1.822 20 5 DDBDRO Cc1ccc(NC(=O)c2nn(C)cc2[N+](=O)[O-])c(C[NH+](C)C)c1 ZINC000270796618 408686567 /nfs/dbraw/zinc/68/65/67/408686567.db2.gz MUEZVQFSBMXUNP-UHFFFAOYSA-N 1 0 317.349 1.951 20 5 DDBDRO CC[NH+]1CCC(CCNC(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000184845737 408700757 /nfs/dbraw/zinc/70/07/57/408700757.db2.gz HJXIDYCZQFZJDZ-UHFFFAOYSA-N 1 0 321.381 1.424 20 5 DDBDRO Cc1nn(C)c(C(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000249733598 408760466 /nfs/dbraw/zinc/76/04/66/408760466.db2.gz CLDIVELLORBZQE-MNOVXSKESA-N 1 0 323.397 1.487 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCC1([NH+](C)C)CCC1 ZINC000276048507 408760994 /nfs/dbraw/zinc/76/09/94/408760994.db2.gz UCDFNERVJSAXSN-UHFFFAOYSA-N 1 0 320.393 1.875 20 5 DDBDRO CC[NH+](CC)C[C@H]1CCN(c2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000290810049 408836976 /nfs/dbraw/zinc/83/69/76/408836976.db2.gz RAORKZWBHADDIA-LLVKDONJSA-N 1 0 321.381 1.257 20 5 DDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC[N@@H+](C)CC ZINC000290825381 408839039 /nfs/dbraw/zinc/83/90/39/408839039.db2.gz PBCZREVIBVJNAO-UHFFFAOYSA-N 1 0 322.365 1.164 20 5 DDBDRO O=C(NC1CC1)[C@H]1CCCN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000276351153 408841206 /nfs/dbraw/zinc/84/12/06/408841206.db2.gz WKHKNXVXGVCJMN-CQSZACIVSA-N 1 0 307.325 1.977 20 5 DDBDRO C[NH+]1CCC(C)(CNc2nccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000290882191 408848896 /nfs/dbraw/zinc/84/88/96/408848896.db2.gz BZXDVKCQHKBJAY-UHFFFAOYSA-N 1 0 307.354 1.233 20 5 DDBDRO [NH3+]CC[C@H]1CCCCN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000285949700 408894848 /nfs/dbraw/zinc/89/48/48/408894848.db2.gz GFXGRFSMNADUBT-GFCCVEGCSA-N 1 0 306.366 1.737 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)CCC[NH+]1CCCC1 ZINC000281601641 408895525 /nfs/dbraw/zinc/89/55/25/408895525.db2.gz DIVKSOCNVGYXRD-UHFFFAOYSA-N 1 0 309.370 1.044 20 5 DDBDRO O=C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000276583946 408887831 /nfs/dbraw/zinc/88/78/31/408887831.db2.gz PAMMEWDSICUION-MBNYWOFBSA-N 1 0 320.345 1.530 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)CN2CCC(F)(F)[C@@H](CO)C2)c1 ZINC000291749670 408916478 /nfs/dbraw/zinc/91/64/78/408916478.db2.gz KLEZNGPASRVKMM-DGCLKSJQSA-N 1 0 316.304 1.578 20 5 DDBDRO C[C@@H]1[NH2+]CCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)[C@H]1C ZINC000277477098 408948802 /nfs/dbraw/zinc/94/88/02/408948802.db2.gz LKPPIFFVINVBSQ-UWVGGRQHSA-N 1 0 311.313 1.322 20 5 DDBDRO CN(Cc1ccccc1[N+](=O)[O-])[C@H]1CCN(S(C)(=O)=O)C1 ZINC000292152643 408990545 /nfs/dbraw/zinc/99/05/45/408990545.db2.gz KGJBWWOTHPHOBG-LBPRGKRZSA-N 1 0 313.379 1.061 20 5 DDBDRO Cc1cc(N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)c(F)cc1[N+](=O)[O-] ZINC000292336545 409026889 /nfs/dbraw/zinc/02/68/89/409026889.db2.gz BCPJIDISWIIAHN-CABCVRRESA-N 1 0 309.341 1.952 20 5 DDBDRO CC[C@H](C)[N@H+](C)CCNc1nc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000287785752 409093681 /nfs/dbraw/zinc/09/36/81/409093681.db2.gz IPUBHGGBBWSBHR-JTQLQIEISA-N 1 0 310.354 1.919 20 5 DDBDRO CC[N@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](C)CO ZINC000293346125 409093885 /nfs/dbraw/zinc/09/38/85/409093885.db2.gz HJPCPPQVOSMFDW-VIFPVBQESA-N 1 0 315.757 1.889 20 5 DDBDRO CC[N@@H+]1CC[C@H]2OCCN(Cc3csc([N+](=O)[O-])c3)[C@H]2C1 ZINC000293351445 409096985 /nfs/dbraw/zinc/09/69/85/409096985.db2.gz TWECKCWIRXRMQP-QWHCGFSZSA-N 1 0 311.407 1.951 20 5 DDBDRO Cc1nc(N(C)CCC[N@@H+](C)CCN(C)C)ccc1[N+](=O)[O-] ZINC000288870837 409190450 /nfs/dbraw/zinc/19/04/50/409190450.db2.gz LKKWDJRPZQGPON-UHFFFAOYSA-N 1 0 309.414 1.618 20 5 DDBDRO Cc1n[nH]c(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1[N+](=O)[O-] ZINC000294082090 409237925 /nfs/dbraw/zinc/23/79/25/409237925.db2.gz JTDZTCLQKWGBDA-AWEZNQCLSA-N 1 0 307.354 1.184 20 5 DDBDRO CCc1n[nH]c(C(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)c1[N+](=O)[O-] ZINC000294155094 409251124 /nfs/dbraw/zinc/25/11/24/409251124.db2.gz NRNGRPJOVWPALH-OAHLLOKOSA-N 1 0 321.381 1.438 20 5 DDBDRO O=C(COc1ccccc1[N+](=O)[O-])NCC[N@H+]1CC=CCC1 ZINC000280305931 409289120 /nfs/dbraw/zinc/28/91/20/409289120.db2.gz SMSLDJNCYQDORX-UHFFFAOYSA-N 1 0 305.334 1.352 20 5 DDBDRO O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)c1[nH]ncc1[N+](=O)[O-] ZINC000280622554 409384914 /nfs/dbraw/zinc/38/49/14/409384914.db2.gz BRZZPLZYEKNZRP-LBPRGKRZSA-N 1 0 321.381 1.845 20 5 DDBDRO CCC[NH2+][C@H](C)C(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000295525706 409330592 /nfs/dbraw/zinc/33/05/92/409330592.db2.gz WFGRQZRGEYIIRL-SECBINFHSA-N 1 0 309.322 1.708 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N(C)CCC[NH+](C)C ZINC000185579803 306716481 /nfs/dbraw/zinc/71/64/81/306716481.db2.gz INYCNEQYQRBVQC-UHFFFAOYSA-N 1 0 324.381 1.697 20 5 DDBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(c2nc(=O)[nH][nH]2)CC1 ZINC000280697951 409415514 /nfs/dbraw/zinc/41/55/14/409415514.db2.gz AFRHNKSOIQPGKH-JTQLQIEISA-N 1 0 317.349 1.947 20 5 DDBDRO C[N@@H+]1CCC[C@@H]2CN(c3nccc(C(N)=O)c3[N+](=O)[O-])CC[C@H]21 ZINC000290497380 409423973 /nfs/dbraw/zinc/42/39/73/409423973.db2.gz ALVTTYSONHAHAQ-ZYHUDNBSSA-N 1 0 319.365 1.009 20 5 DDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](C)C[NH+](C)C ZINC000290583941 409453604 /nfs/dbraw/zinc/45/36/04/409453604.db2.gz UUHBKCYQXSVESF-JTQLQIEISA-N 1 0 322.365 1.162 20 5 DDBDRO CNc1c(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000321888211 164046287 /nfs/dbraw/zinc/04/62/87/164046287.db2.gz RMGHKINCVIRRAP-NWDGAFQWSA-N 1 0 318.377 1.993 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000347020223 164098235 /nfs/dbraw/zinc/09/82/35/164098235.db2.gz SXRZVVPNQMEPHY-GFCCVEGCSA-N 1 0 319.361 1.912 20 5 DDBDRO CS[C@H]1CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000296233486 409473980 /nfs/dbraw/zinc/47/39/80/409473980.db2.gz KTIWJEMKZCPREF-RYUDHWBXSA-N 1 0 312.391 1.772 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC2(CCC[N@@H+]2C)CC1 ZINC000408222166 164265670 /nfs/dbraw/zinc/26/56/70/164265670.db2.gz OXMFFGRYWHJAMN-UHFFFAOYSA-N 1 0 307.354 1.029 20 5 DDBDRO CCOC[C@H](C)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000342302233 409568603 /nfs/dbraw/zinc/56/86/03/409568603.db2.gz FGEMRKBBQFLQSH-NSHDSACASA-N 1 0 316.379 1.383 20 5 DDBDRO Cn1cnnc1C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000331505201 409580536 /nfs/dbraw/zinc/58/05/36/409580536.db2.gz BSGYUCODAZREGN-WDEREUQCSA-N 1 0 305.342 1.193 20 5 DDBDRO CC[C@H](CNS(C)(=O)=O)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000296506313 409589732 /nfs/dbraw/zinc/58/97/32/409589732.db2.gz PHPRZTZLQVRMNA-CMPLNLGQSA-N 1 0 315.395 1.573 20 5 DDBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000342452880 409643297 /nfs/dbraw/zinc/64/32/97/409643297.db2.gz QPLOYVQMBSLFLY-AAEUAGOBSA-N 1 0 319.361 1.573 20 5 DDBDRO C[N@@H+]1CC[C@@H]2OCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)[C@H]2C1 ZINC000296854703 409671415 /nfs/dbraw/zinc/67/14/15/409671415.db2.gz UMCMRHATTRNQIO-KBPBESRZSA-N 1 0 317.349 1.380 20 5 DDBDRO Cn1nc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000357055080 409823807 /nfs/dbraw/zinc/82/38/07/409823807.db2.gz LXHWJNZJNQUGGE-GFCCVEGCSA-N 1 0 321.381 1.276 20 5 DDBDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000357041240 409810979 /nfs/dbraw/zinc/81/09/79/409810979.db2.gz QMAHKHJNKVKHEN-GHMZBOCLSA-N 1 0 306.366 1.218 20 5 DDBDRO CC[NH+](CC)CCO[C@@H]1CCN(c2ncc([N+](=O)[O-])cn2)C1 ZINC000354581591 409952497 /nfs/dbraw/zinc/95/24/97/409952497.db2.gz VKPJOODQGCRFCO-CYBMUJFWSA-N 1 0 309.370 1.322 20 5 DDBDRO COC(=O)c1cc(C)nc(N[C@@H]2CCC[N@H+](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000342835810 409939655 /nfs/dbraw/zinc/93/96/55/409939655.db2.gz QOPXAQBAOVVKHY-ZYHUDNBSSA-N 1 0 322.365 1.979 20 5 DDBDRO C[C@H]1C[C@H](NC(=O)CCNc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000357392604 410011079 /nfs/dbraw/zinc/01/10/79/410011079.db2.gz OAOIUFQQRAXKPC-QWHCGFSZSA-N 1 0 320.393 1.996 20 5 DDBDRO Cc1cc(NC(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000332239268 410003730 /nfs/dbraw/zinc/00/37/30/410003730.db2.gz RBTXQEMIXVAJGH-NWDGAFQWSA-N 1 0 304.350 1.976 20 5 DDBDRO COC(=O)[C@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H]1C ZINC000346691742 410087017 /nfs/dbraw/zinc/08/70/17/410087017.db2.gz WAZSXXSPSZRMFJ-CABZTGNLSA-N 1 0 321.333 1.077 20 5 DDBDRO COC(=O)COc1ccc(C[N@@H+]2C[C@H](O)C[C@H]2C)cc1[N+](=O)[O-] ZINC000355043809 410263358 /nfs/dbraw/zinc/26/33/58/410263358.db2.gz SNXIWNUJOQSTQZ-ZYHUDNBSSA-N 1 0 324.333 1.102 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCC[NH+](C)C ZINC000298455844 410235291 /nfs/dbraw/zinc/23/52/91/410235291.db2.gz JCWLODHVQGQRDM-UHFFFAOYSA-N 1 0 301.368 1.133 20 5 DDBDRO C[C@@H]1CCC[N@H+](CCNc2ncc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000298691286 410349032 /nfs/dbraw/zinc/34/90/32/410349032.db2.gz CVJAFCSXMLHQPU-SNVBAGLBSA-N 1 0 307.354 1.233 20 5 DDBDRO C[C@@H]1C[NH+](CCCNC(=O)c2ccc([N+](=O)[O-])[nH]2)C[C@@H](C)O1 ZINC000298842985 410420890 /nfs/dbraw/zinc/42/08/90/410420890.db2.gz IMKLYGUKAZJWAE-GHMZBOCLSA-N 1 0 310.354 1.152 20 5 DDBDRO C[C@@]12CCC[N@@H+]1C[C@@H](c1noc(-c3cc([N+](=O)[O-])c[nH]3)n1)OC2 ZINC000347332774 410479955 /nfs/dbraw/zinc/47/99/55/410479955.db2.gz IGYRQWBFOHNGPN-FZMZJTMJSA-N 1 0 319.321 1.899 20 5 DDBDRO CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000343564098 410535261 /nfs/dbraw/zinc/53/52/61/410535261.db2.gz GYRQCJLANSYZLP-LLVKDONJSA-N 1 0 308.338 1.300 20 5 DDBDRO C[C@H](NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000417143166 533678636 /nfs/dbraw/zinc/67/86/36/533678636.db2.gz UNBFPXQGSBSJLK-COPLHBTASA-N 1 0 306.366 1.953 20 5 DDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1C[C@@H]([NH+](C)C)[C@@H](SC)C1 ZINC000359595207 410758421 /nfs/dbraw/zinc/75/84/21/410758421.db2.gz OWGLSYRXYFETGJ-MNOVXSKESA-N 1 0 313.427 1.601 20 5 DDBDRO Cc1n[nH]c(C(=O)N(CC[NH+](C)C)C2CCCCC2)c1[N+](=O)[O-] ZINC000347889536 410779040 /nfs/dbraw/zinc/77/90/40/410779040.db2.gz FYLSQLSAXYRSAB-UHFFFAOYSA-N 1 0 323.397 1.963 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[N@H+]2CCCC[C@H]2[C@H](O)C(F)(F)F)n1 ZINC000340205521 410750099 /nfs/dbraw/zinc/75/00/99/410750099.db2.gz YLPRUAYYCKUGKA-ONGXEEELSA-N 1 0 322.287 1.569 20 5 DDBDRO COc1c(C(=O)N2CC[N@H+](C)CC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000356099560 410831872 /nfs/dbraw/zinc/83/18/72/410831872.db2.gz QSVFZZLZOCYGIV-NSHDSACASA-N 1 0 307.350 1.770 20 5 DDBDRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000301958724 410835273 /nfs/dbraw/zinc/83/52/73/410835273.db2.gz LQJSMYGJTCKFMK-OAHLLOKOSA-N 1 0 318.377 1.513 20 5 DDBDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000341068136 410879989 /nfs/dbraw/zinc/87/99/89/410879989.db2.gz YCTMWNUAEPMJRT-TXEJJXNPSA-N 1 0 309.370 1.170 20 5 DDBDRO CC[NH+](CC)CC1CCN(C(=O)c2[nH]nc(C)c2[N+](=O)[O-])CC1 ZINC000330603310 410817746 /nfs/dbraw/zinc/81/77/46/410817746.db2.gz JYAQETSJLUHGAA-UHFFFAOYSA-N 1 0 323.397 1.820 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NCC[N@@H+]1CCCC(C)(C)C1 ZINC000331296762 411064732 /nfs/dbraw/zinc/06/47/32/411064732.db2.gz OGVFEFXQMKQDMS-UHFFFAOYSA-N 1 0 309.370 1.180 20 5 DDBDRO CN(C)c1cc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc[nH+]1 ZINC000360243178 411109820 /nfs/dbraw/zinc/10/98/20/411109820.db2.gz UOFSRUZCOYSYDM-UHFFFAOYSA-N 1 0 322.346 1.857 20 5 DDBDRO CC1CC[NH+](CCCNC(=O)c2cc([N+](=O)[O-])nn2C)CC1 ZINC000356512008 298812499 /nfs/dbraw/zinc/81/24/99/298812499.db2.gz WFTWJXDATMZVKB-UHFFFAOYSA-N 1 0 309.370 1.180 20 5 DDBDRO CC(C)CC1(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCC1 ZINC000580435284 422932031 /nfs/dbraw/zinc/93/20/31/422932031.db2.gz RRZLBGKXKGLHIY-CQSZACIVSA-N 1 0 310.398 1.958 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC[C@H]([NH3+])C2CC2)c1C ZINC000133126430 196313868 /nfs/dbraw/zinc/31/38/68/196313868.db2.gz UNNLUGHONPYWGO-LBPRGKRZSA-N 1 0 313.379 1.227 20 5 DDBDRO CC[NH+](CC)CC(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000136152239 196523306 /nfs/dbraw/zinc/52/33/06/196523306.db2.gz FICRWXBTBVFDNB-UHFFFAOYSA-N 1 0 309.322 1.662 20 5 DDBDRO C[C@H]([NH3+])CCN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000423224402 298960943 /nfs/dbraw/zinc/96/09/43/298960943.db2.gz JBJWFMLEHGVOCA-FZMZJTMJSA-N 1 0 303.366 1.745 20 5 DDBDRO CNc1nccc(C(=O)NC[C@@H](C2CC2)[NH+](C)C)c1[N+](=O)[O-] ZINC000516978192 416767192 /nfs/dbraw/zinc/76/71/92/416767192.db2.gz ASMUAOINTVPNBT-NSHDSACASA-N 1 0 307.354 1.102 20 5 DDBDRO COCCC[NH+]1CCC(Nc2ncc([N+](=O)[O-])c(C)n2)CC1 ZINC000295638398 225071653 /nfs/dbraw/zinc/07/16/53/225071653.db2.gz YAVLEIICGFZCRV-UHFFFAOYSA-N 1 0 309.370 1.606 20 5 DDBDRO COc1ccc(CNC(=O)N2CC[C@H]([C@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000417188875 225239064 /nfs/dbraw/zinc/23/90/64/225239064.db2.gz IBOFVYLOEGKVEE-JQWIXIFHSA-N 1 0 322.365 1.482 20 5 DDBDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000417227133 225253244 /nfs/dbraw/zinc/25/32/44/225253244.db2.gz LIUAORLTORCQDJ-CHWSQXEVSA-N 1 0 306.366 1.706 20 5 DDBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@@H](C)[C@H](C)CO)cccc1[N+](=O)[O-] ZINC000295865127 225326486 /nfs/dbraw/zinc/32/64/86/225326486.db2.gz YNAJFPUBUHREQJ-USWWRNFRSA-N 1 0 309.366 1.837 20 5 DDBDRO Cc1ccc([C@H](C)NC(=O)N2CC[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000417860080 225472782 /nfs/dbraw/zinc/47/27/82/225472782.db2.gz XPCIWLXMSRBYAC-RYUDHWBXSA-N 1 0 306.366 1.954 20 5 DDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@]3(CC[NH2+]C3)C2)s1 ZINC000360548346 418461148 /nfs/dbraw/zinc/46/11/48/418461148.db2.gz SYSJRTCYIFEWOP-LLVKDONJSA-N 1 0 317.392 1.030 20 5 DDBDRO CN(C(=O)CN1CC[C@@]2(CC[NH2+]C2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000360562077 418464473 /nfs/dbraw/zinc/46/44/73/418464473.db2.gz KXJHHYZBCMNMLZ-MRXNPFEDSA-N 1 0 318.377 1.243 20 5 DDBDRO C[C@H]1C[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000360651165 418483709 /nfs/dbraw/zinc/48/37/09/418483709.db2.gz FWWZAXQQUKBHDW-QWRGUYRKSA-N 1 0 313.379 1.356 20 5 DDBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N[C@H]1CC12CC[NH2+]CC2 ZINC000366591484 418494790 /nfs/dbraw/zinc/49/47/90/418494790.db2.gz IAQLESOGKJZBNK-AWEZNQCLSA-N 1 0 319.361 1.622 20 5 DDBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N1CCC([NH2+]CCO)CC1 ZINC000291023438 222079890 /nfs/dbraw/zinc/07/98/90/222079890.db2.gz XXGLEBYUIWZRBJ-UHFFFAOYSA-N 1 0 307.350 1.348 20 5 DDBDRO COCCCN(C(=O)c1ccc([N+](=O)[O-])[nH]1)C1CC[NH+](C)CC1 ZINC000291289178 222289407 /nfs/dbraw/zinc/28/94/07/222289407.db2.gz SKYBCJAYDMTRQO-UHFFFAOYSA-N 1 0 324.381 1.496 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1CN1CC[C@@](CO)(c2ccccc2)C1 ZINC000368259873 418711951 /nfs/dbraw/zinc/71/19/51/418711951.db2.gz GTDCVJGUNWEDSF-MRXNPFEDSA-N 1 0 316.361 1.464 20 5 DDBDRO NC(=O)C[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000367988737 418669960 /nfs/dbraw/zinc/66/99/60/418669960.db2.gz MPJPSEHGSDMWMW-LLVKDONJSA-N 1 0 320.349 1.121 20 5 DDBDRO CNC(=O)C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000361628042 418693718 /nfs/dbraw/zinc/69/37/18/418693718.db2.gz GODGRGXJKIHLCC-CQSZACIVSA-N 1 0 317.349 1.258 20 5 DDBDRO C[C@H]1CN(c2ncccc2[N+](=O)[O-])CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000371350439 418782159 /nfs/dbraw/zinc/78/21/59/418782159.db2.gz RZNLTGNBIGBKAX-KBPBESRZSA-N 1 0 319.409 1.452 20 5 DDBDRO CC(C)[N@H+](C)C[C@@H](O)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000386438225 418740340 /nfs/dbraw/zinc/74/03/40/418740340.db2.gz PIWDYMCHBBJYFG-MRVPVSSYSA-N 1 0 321.175 1.255 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3c(N)cccc3[N+](=O)[O-])C[C@H]21 ZINC000371559693 418800321 /nfs/dbraw/zinc/80/03/21/418800321.db2.gz AHDIACKQTAIOBH-ZWNOBZJWSA-N 1 0 304.350 1.343 20 5 DDBDRO C[C@@H]1CC[NH2+][C@H](C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000423185238 227391862 /nfs/dbraw/zinc/39/18/62/227391862.db2.gz NDWMHOWAEOTPAW-ABAIWWIYSA-N 1 0 303.362 1.868 20 5 DDBDRO COC(=O)c1cnc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000365055775 418834647 /nfs/dbraw/zinc/83/46/47/418834647.db2.gz WJBLFOZWVNJZTE-VXGBXAGGSA-N 1 0 320.349 1.815 20 5 DDBDRO C[C@@H](CO)[N@@H+]1CCCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000364932853 418825304 /nfs/dbraw/zinc/82/53/04/418825304.db2.gz KRYWPAUYNHKPAH-ZDUSSCGKSA-N 1 0 321.377 1.052 20 5 DDBDRO O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]1C[C@H]1[N+](=O)[O-] ZINC000365587279 418878672 /nfs/dbraw/zinc/87/86/72/418878672.db2.gz KLXZKYVHNKTIBK-HRCADAONSA-N 1 0 317.389 1.680 20 5 DDBDRO CCCCNC(=O)CC[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000411476440 418908188 /nfs/dbraw/zinc/90/81/88/418908188.db2.gz GPSBJMFKQNQQQO-UHFFFAOYSA-N 1 0 306.366 1.654 20 5 DDBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000372897328 418912863 /nfs/dbraw/zinc/91/28/63/418912863.db2.gz LHJFVTPNQVNHFS-BETUJISGSA-N 1 0 319.361 1.717 20 5 DDBDRO O=C(COc1cccc([N+](=O)[O-])c1)N1CCC2(CC[NH2+]2)CC1 ZINC000424051036 228223004 /nfs/dbraw/zinc/22/30/04/228223004.db2.gz HJLVYTBBUQGHSK-UHFFFAOYSA-N 1 0 305.334 1.328 20 5 DDBDRO CCCN(C(=O)NCCc1cccc([N+](=O)[O-])c1)[C@H]1CC[NH2+]C1 ZINC000417943187 419407734 /nfs/dbraw/zinc/40/77/34/419407734.db2.gz OLKCILBMQWLWGA-HNNXBMFYSA-N 1 0 320.393 1.921 20 5 DDBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@H](C)C[C@H](CO)C1 ZINC000420933225 419367168 /nfs/dbraw/zinc/36/71/68/419367168.db2.gz FYGHRIPISSZYKS-AGIUHOORSA-N 1 0 321.377 1.872 20 5 DDBDRO C[C@@H](NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)c1ccccc1[N+](=O)[O-] ZINC000417980356 419444885 /nfs/dbraw/zinc/44/48/85/419444885.db2.gz KEXTYKVPIXQNMF-GYSYKLTISA-N 1 0 304.350 1.659 20 5 DDBDRO Cc1c(CNC(=O)N[C@H]2C[NH2+]CC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000418084547 419520870 /nfs/dbraw/zinc/52/08/70/419520870.db2.gz VPDYWKDICYTDAJ-GWCFXTLKSA-N 1 0 306.366 1.700 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2C[C@@H](O)C[C@@H]2c2ccccc2)c1 ZINC000411938083 419511004 /nfs/dbraw/zinc/51/10/04/419511004.db2.gz JOCWHSLPFUPVNQ-LSDHHAIUSA-N 1 0 302.334 1.599 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](C(=O)N(C)C)C1 ZINC000411943424 419513684 /nfs/dbraw/zinc/51/36/84/419513684.db2.gz QOZXWQUDZGHPBC-LLVKDONJSA-N 1 0 307.350 1.514 20 5 DDBDRO C[C@H](NC(=O)N1CCCO[C@@H](C[NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC000418227851 419628795 /nfs/dbraw/zinc/62/87/95/419628795.db2.gz CWGGNZGCSZZZHJ-FZMZJTMJSA-N 1 0 322.365 1.415 20 5 DDBDRO COc1c(C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)cccc1[N+](=O)[O-] ZINC000421711926 419696965 /nfs/dbraw/zinc/69/69/65/419696965.db2.gz PKHYHDPDUDAWGP-NSHDSACASA-N 1 0 307.350 1.770 20 5 DDBDRO CCOc1ccc(C(=O)NCC2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000428131392 419817293 /nfs/dbraw/zinc/81/72/93/419817293.db2.gz PVUOPZWPKQRBNF-UHFFFAOYSA-N 1 0 307.350 1.723 20 5 DDBDRO CNc1nc(C(=O)N(C)C[C@H]2CCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000422032233 419818631 /nfs/dbraw/zinc/81/86/31/419818631.db2.gz FCOASEBGMXDZJM-SNVBAGLBSA-N 1 0 307.354 1.198 20 5 DDBDRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000418569305 419881244 /nfs/dbraw/zinc/88/12/44/419881244.db2.gz HWDFECZBMVUVRF-DOMZBBRYSA-N 1 0 320.393 1.777 20 5 DDBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CNCCN1C ZINC000414981201 419904848 /nfs/dbraw/zinc/90/48/48/419904848.db2.gz XKFSDMNBLANJGQ-HIFRSBDPSA-N 1 0 306.410 1.409 20 5 DDBDRO COC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1)[C@@H]1CCCO1 ZINC000434789239 229332590 /nfs/dbraw/zinc/33/25/90/229332590.db2.gz XAPVGKXRMKZGAW-JSGCOSHPSA-N 1 0 310.350 1.887 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000428914290 419947263 /nfs/dbraw/zinc/94/72/63/419947263.db2.gz YWXJWAXZADUBGN-SNVBAGLBSA-N 1 0 309.370 1.076 20 5 DDBDRO COCC[NH2+]CCNC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000415293551 420010778 /nfs/dbraw/zinc/01/07/78/420010778.db2.gz IVXWKZQDOCXPCQ-UHFFFAOYSA-N 1 0 310.354 1.569 20 5 DDBDRO Cn1ccnc1[C@@H](NC[C@H]([NH3+])C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000423326293 420013837 /nfs/dbraw/zinc/01/38/37/420013837.db2.gz QWQZFMQKXZWXGB-GJZGRUSLSA-N 1 0 315.377 1.745 20 5 DDBDRO COc1ccc(NC(=O)N2C[C@@H](C[NH3+])C[C@H]2C)cc1[N+](=O)[O-] ZINC000415449446 420070383 /nfs/dbraw/zinc/07/03/83/420070383.db2.gz VVGKOBJKMADPDG-NXEZZACHSA-N 1 0 308.338 1.804 20 5 DDBDRO CNC(=O)[C@@]1(C)CC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000430280255 420102344 /nfs/dbraw/zinc/10/23/44/420102344.db2.gz VPRBDNVJBDZSLS-HNNXBMFYSA-N 1 0 307.350 1.561 20 5 DDBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000430552517 420135976 /nfs/dbraw/zinc/13/59/76/420135976.db2.gz RWLKQSMNCWHDFN-UPJWGTAASA-N 1 0 318.377 1.748 20 5 DDBDRO C[C@H](Nc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H]1CCC[NH2+]C1 ZINC000420168581 420140152 /nfs/dbraw/zinc/14/01/52/420140152.db2.gz QJKYDFBAVYBJMG-CMPLNLGQSA-N 1 0 317.349 2.445 20 5 DDBDRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000415457252 420075493 /nfs/dbraw/zinc/07/54/93/420075493.db2.gz XIUMATPSSOHHQM-MNOVXSKESA-N 1 0 320.349 1.119 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](CO)C1CCOCC1 ZINC000430207142 420090075 /nfs/dbraw/zinc/09/00/75/420090075.db2.gz QFHQBMJUDVUHHO-CQSZACIVSA-N 1 0 310.350 1.481 20 5 DDBDRO C[C@@H]1CN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@@H](C)[NH2+]1 ZINC000430928449 420210335 /nfs/dbraw/zinc/21/03/35/420210335.db2.gz LOCALDHNEFFVRG-LALPHHSUSA-N 1 0 318.377 1.382 20 5 DDBDRO [NH3+]C[C@@H]1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000430933439 420213152 /nfs/dbraw/zinc/21/31/52/420213152.db2.gz KTRLQMHAJWBPEF-JTQLQIEISA-N 1 0 303.322 1.425 20 5 DDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430939899 420214527 /nfs/dbraw/zinc/21/45/27/420214527.db2.gz MUPRRTFZPZERRG-JTNHKYCSSA-N 1 0 306.366 1.591 20 5 DDBDRO C[NH2+]C[C@H](C)CNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000420187557 420145212 /nfs/dbraw/zinc/14/52/12/420145212.db2.gz DNACJIHOJHAZTP-JTQLQIEISA-N 1 0 306.366 1.754 20 5 DDBDRO CCOc1ccc(NC(=O)CN2CC[C@H]([NH2+]C)C2)c([N+](=O)[O-])c1 ZINC000430594879 420151829 /nfs/dbraw/zinc/15/18/29/420151829.db2.gz SISQBGWRDWNSFZ-NSHDSACASA-N 1 0 322.365 1.226 20 5 DDBDRO CCCC[C@@H](C[NH3+])Nc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000420213335 420152475 /nfs/dbraw/zinc/15/24/75/420152475.db2.gz YMDMUWCCYIDORB-NSHDSACASA-N 1 0 305.338 2.574 20 5 DDBDRO C[NH2+]C[C@@H]1CCCN1c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000420217863 420154691 /nfs/dbraw/zinc/15/46/91/420154691.db2.gz VQZKACWKZGLSHQ-LBPRGKRZSA-N 1 0 303.322 1.833 20 5 DDBDRO [NH3+]CCCCNc1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000420227484 420157980 /nfs/dbraw/zinc/15/79/80/420157980.db2.gz CHAKFGJWPYTAMD-UHFFFAOYSA-N 1 0 322.365 1.218 20 5 DDBDRO CCOC(=O)c1ccnc(NCC[C@H]2CCC[NH2+]2)c1[N+](=O)[O-] ZINC000420237225 420162413 /nfs/dbraw/zinc/16/24/13/420162413.db2.gz KZIPRJAHMIBPHR-SNVBAGLBSA-N 1 0 308.338 1.721 20 5 DDBDRO CCOC(=O)c1cc(NC[C@H]2C[NH2+]CCN2C)ccc1[N+](=O)[O-] ZINC000420262253 420171724 /nfs/dbraw/zinc/17/17/24/420171724.db2.gz AKWSKNLVFYHWBE-GFCCVEGCSA-N 1 0 322.365 1.087 20 5 DDBDRO COc1ccc(OCCN2CCC[C@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000430660342 420174507 /nfs/dbraw/zinc/17/45/07/420174507.db2.gz CUXPHEDPWAOQKH-GFCCVEGCSA-N 1 0 309.366 1.653 20 5 DDBDRO C[NH2+]C[C@H]1CCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000430972740 420227734 /nfs/dbraw/zinc/22/77/34/420227734.db2.gz UATYWFXPHZBUAV-NWDGAFQWSA-N 1 0 306.366 1.463 20 5 DDBDRO Cc1c(NC(=O)[C@@H](C)N2CC[C@H]([NH3+])[C@@H]2C)cccc1[N+](=O)[O-] ZINC000420362649 420236379 /nfs/dbraw/zinc/23/63/79/420236379.db2.gz ZKMSFVDFUURSOF-TUAOUCFPSA-N 1 0 306.366 1.652 20 5 DDBDRO CCC[NH2+]CCNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000420430568 420281033 /nfs/dbraw/zinc/28/10/33/420281033.db2.gz DLDZKKKMCQQOIO-UHFFFAOYSA-N 1 0 315.395 1.056 20 5 DDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)CCC[NH3+] ZINC000420432951 420282417 /nfs/dbraw/zinc/28/24/17/420282417.db2.gz CERDMIYNUGULJP-JTQLQIEISA-N 1 0 315.395 1.563 20 5 DDBDRO Cc1ccc(C)c(S(=O)(=O)N[C@H](C)CCC[NH3+])c1[N+](=O)[O-] ZINC000420434441 420283678 /nfs/dbraw/zinc/28/36/78/420283678.db2.gz FCCRBOSAEUMDBZ-LLVKDONJSA-N 1 0 315.395 1.617 20 5 DDBDRO C[NH2+]C[C@H]1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000430948633 420219425 /nfs/dbraw/zinc/21/94/25/420219425.db2.gz KOUBJGZGALZKQQ-LLVKDONJSA-N 1 0 317.349 1.686 20 5 DDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@H](O)C(F)F)n1 ZINC000436284843 420318431 /nfs/dbraw/zinc/31/84/31/420318431.db2.gz OCJGSPQUCGUCIY-AEJSXWLSSA-N 1 0 304.297 1.491 20 5 DDBDRO Cc1nn(C)c(C(=O)NCc2ccc3c(c2)C[NH2+]C3)c1[N+](=O)[O-] ZINC000444259700 230069764 /nfs/dbraw/zinc/06/97/64/230069764.db2.gz YDWIGTGYKWZSMQ-UHFFFAOYSA-N 1 0 315.333 1.170 20 5 DDBDRO CC(C)[N@@H+]1CC[C@@H](N(C)CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000452123214 420623268 /nfs/dbraw/zinc/62/32/68/420623268.db2.gz VIKUPPZXNZFQNA-CYBMUJFWSA-N 1 0 320.393 1.948 20 5 DDBDRO CO[C@H]1CCCC[C@@H]1[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000441265301 420643096 /nfs/dbraw/zinc/64/30/96/420643096.db2.gz GUAZGTIKSYVVMT-YDHLFZDLSA-N 1 0 324.377 1.882 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)/C=C\c3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000493134898 420765150 /nfs/dbraw/zinc/76/51/50/420765150.db2.gz WAAYCDOUBMNUSO-QEAXDZPNSA-N 1 0 301.346 1.771 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000493157645 420772380 /nfs/dbraw/zinc/77/23/80/420772380.db2.gz OLPNVXGBMRMFLU-DKIZZRPMSA-N 1 0 301.346 1.771 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC2(CCC2)[C@@H]2COC[C@@H]21 ZINC000459657314 420841494 /nfs/dbraw/zinc/84/14/94/420841494.db2.gz FQDQOCPPLVNBHD-KGLIPLIRSA-N 1 0 319.361 1.257 20 5 DDBDRO Cn1cnc(CC[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)n1 ZINC000447584093 420784231 /nfs/dbraw/zinc/78/42/31/420784231.db2.gz DQVRFEHWRJEUQE-AWEZNQCLSA-N 1 0 301.350 1.933 20 5 DDBDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000493316469 420816651 /nfs/dbraw/zinc/81/66/51/420816651.db2.gz HBAYMGHZMFRGEG-NEQXKTFVSA-N 1 0 307.325 1.861 20 5 DDBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]C3(CO)CCSCC3)nc2c1 ZINC000459702757 420850521 /nfs/dbraw/zinc/85/05/21/420850521.db2.gz RTBJYIMRFQHQFA-UHFFFAOYSA-N 1 0 322.390 1.819 20 5 DDBDRO Cn1nccc1[C@@H](CO)[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000459761380 420865927 /nfs/dbraw/zinc/86/59/27/420865927.db2.gz QYDIMYNLIFIYHB-LLVKDONJSA-N 1 0 306.322 1.030 20 5 DDBDRO O=C(/C=C/c1cccc([N+](=O)[O-])c1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000493599521 420894550 /nfs/dbraw/zinc/89/45/50/420894550.db2.gz SYNWPIRHXVPXKH-ZYOFXKKJSA-N 1 0 311.288 1.721 20 5 DDBDRO C[C@H]1C[C@@H]1C[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000488427808 421089556 /nfs/dbraw/zinc/08/95/56/421089556.db2.gz YLUYGWGHQMLLDM-WDEREUQCSA-N 1 0 313.379 1.119 20 5 DDBDRO Cc1nc(NC[C@H](Cc2ccccc2)[NH+](C)C)ncc1[N+](=O)[O-] ZINC000450213030 421164535 /nfs/dbraw/zinc/16/45/35/421164535.db2.gz FPEHAPXFNZTECM-AWEZNQCLSA-N 1 0 315.377 2.278 20 5 DDBDRO CC[C@H](C)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])cnc2C)CC1 ZINC000456554469 421182995 /nfs/dbraw/zinc/18/29/95/421182995.db2.gz OXLVBHWNGUQION-NSHDSACASA-N 1 0 306.366 1.855 20 5 DDBDRO CN(C(=O)NCc1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000523435962 421238858 /nfs/dbraw/zinc/23/88/58/421238858.db2.gz ZALUSHDFXLQAMH-OAHLLOKOSA-N 1 0 318.377 1.973 20 5 DDBDRO CC(C)[N@@H+](Cc1ccccn1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000525782933 421300957 /nfs/dbraw/zinc/30/09/57/421300957.db2.gz HBGSRULPXSNCLH-HNNXBMFYSA-N 1 0 319.365 1.458 20 5 DDBDRO C[NH+](C)Cc1ccnc(NC(=O)c2ccnc(N)c2[N+](=O)[O-])c1 ZINC000548388198 421431563 /nfs/dbraw/zinc/43/15/63/421431563.db2.gz UODWDPOIJHLLSK-UHFFFAOYSA-N 1 0 316.321 1.281 20 5 DDBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2ccnc(N)c2[N+](=O)[O-])C1 ZINC000548714449 421466406 /nfs/dbraw/zinc/46/64/06/421466406.db2.gz JUGKHPHISIVVFY-NSHDSACASA-N 1 0 321.381 1.280 20 5 DDBDRO O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)NC1C[NH2+]C1 ZINC000515338374 421492700 /nfs/dbraw/zinc/49/27/00/421492700.db2.gz RFCVOXAWGSHKBW-UHFFFAOYSA-N 1 0 304.228 1.707 20 5 DDBDRO CC[NH2+]CCCNS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000515382857 421497840 /nfs/dbraw/zinc/49/78/40/421497840.db2.gz CDTAMRUBVFNTAI-UHFFFAOYSA-N 1 0 315.395 1.056 20 5 DDBDRO Cc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000516141677 421530055 /nfs/dbraw/zinc/53/00/55/421530055.db2.gz GZUNPSDLAMURNI-ZBFHGGJFSA-N 1 0 316.361 1.738 20 5 DDBDRO C[NH2+][C@H]1CCCN(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000517338023 421608976 /nfs/dbraw/zinc/60/89/76/421608976.db2.gz ZJUODABAFVPGEK-LBPRGKRZSA-N 1 0 322.365 1.367 20 5 DDBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)CCN1CCCC1=O ZINC000554558457 421650090 /nfs/dbraw/zinc/65/00/90/421650090.db2.gz LBPQMGXATUSGFR-UHFFFAOYSA-N 1 0 307.350 1.528 20 5 DDBDRO Cc1nc(NCCCC[NH+]2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000532368736 421657651 /nfs/dbraw/zinc/65/76/51/421657651.db2.gz GLHGFWNLOQYAPA-UHFFFAOYSA-N 1 0 307.398 1.738 20 5 DDBDRO CC[NH+](CC)CCCN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000554808998 421662268 /nfs/dbraw/zinc/66/22/68/421662268.db2.gz DMKZRXICAKFWLF-UHFFFAOYSA-N 1 0 321.425 1.844 20 5 DDBDRO CN1CC[NH+](CCCCNc2ncc([N+](=O)[O-])cc2F)CC1 ZINC000571144997 421691303 /nfs/dbraw/zinc/69/13/03/421691303.db2.gz JJXIBHVZOUAIJZ-UHFFFAOYSA-N 1 0 311.361 1.568 20 5 DDBDRO CCC[NH+]1CCC(CNC(=O)c2ccnc(N)c2[N+](=O)[O-])CC1 ZINC000519698580 421717184 /nfs/dbraw/zinc/71/71/84/421717184.db2.gz CNTBPBPUOXIWGV-UHFFFAOYSA-N 1 0 321.381 1.424 20 5 DDBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)NCc3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000542778314 421828790 /nfs/dbraw/zinc/82/87/90/421828790.db2.gz KUWDZIAQYYHDGQ-ZFWWWQNUSA-N 1 0 318.377 1.830 20 5 DDBDRO CC(C)[NH2+]CCCNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000557216902 421764695 /nfs/dbraw/zinc/76/46/95/421764695.db2.gz IEYYMBAXRFTRSQ-UHFFFAOYSA-N 1 0 308.382 1.825 20 5 DDBDRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000521041352 421770314 /nfs/dbraw/zinc/77/03/14/421770314.db2.gz DJNFNYWQAARDBG-CABZTGNLSA-N 1 0 321.333 1.094 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)n1 ZINC000584089903 422254373 /nfs/dbraw/zinc/25/43/73/422254373.db2.gz VIGMWIAEKHPEGA-NSHDSACASA-N 1 0 309.370 1.271 20 5 DDBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccnc(N)c2[N+](=O)[O-])C1 ZINC000576885956 422379233 /nfs/dbraw/zinc/37/92/33/422379233.db2.gz MQGQAFACXBGIQV-NSHDSACASA-N 1 0 321.381 1.376 20 5 DDBDRO C[C@@H](CNC(=O)c1ccnc(N)c1[N+](=O)[O-])[N@@H+]1CCCC[C@@H]1C ZINC000577294244 422384145 /nfs/dbraw/zinc/38/41/45/422384145.db2.gz MGMOGRLPXSVXFO-QWRGUYRKSA-N 1 0 321.381 1.565 20 5 DDBDRO Nc1nccc(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)c1[N+](=O)[O-] ZINC000600469294 422411148 /nfs/dbraw/zinc/41/11/48/422411148.db2.gz JCDYSLYCGFVORQ-NSHDSACASA-N 1 0 319.365 1.319 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000579233207 422730923 /nfs/dbraw/zinc/73/09/23/422730923.db2.gz BOKYALKPWLWVPO-NWDGAFQWSA-N 1 0 306.366 1.395 20 5 DDBDRO CN1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)[C@@H](C[NH3+])C1 ZINC000579235364 422730096 /nfs/dbraw/zinc/73/00/96/422730096.db2.gz HRCKGEYTWMUTGR-LBPRGKRZSA-N 1 0 318.333 1.056 20 5 DDBDRO C[NH2+]C[C@H](C)CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000237196321 263572243 /nfs/dbraw/zinc/57/22/43/263572243.db2.gz MDKWAGXZOYSZOG-NSHDSACASA-N 1 0 317.349 1.366 20 5 DDBDRO CC(C)C[C@H]([NH3+])C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000320276698 271025482 /nfs/dbraw/zinc/02/54/82/271025482.db2.gz VJWCGBXWKRSOMZ-ZDUSSCGKSA-N 1 0 321.381 1.012 20 5 DDBDRO CO[C@@H]1CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)[C@@H](C[NH3+])C1 ZINC000322042556 271028539 /nfs/dbraw/zinc/02/85/39/271028539.db2.gz GVCIODDAZQPHJH-DGPIVGRDSA-N 1 0 319.361 1.573 20 5 DDBDRO C[N@H+](CCNC(=O)Cn1cc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000342815370 271526327 /nfs/dbraw/zinc/52/63/27/271526327.db2.gz PLXGENCFMHUOOB-UHFFFAOYSA-N 1 0 309.370 1.172 20 5 DDBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H]1CCCS(=O)(=O)C1 ZINC000344547056 272056086 /nfs/dbraw/zinc/05/60/86/272056086.db2.gz ZPSLOIMMJBDATF-ACVFHECNSA-N 1 0 310.375 1.775 20 5 DDBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)CNc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000345916003 272364250 /nfs/dbraw/zinc/36/42/50/272364250.db2.gz YZAZCAXIQRZOND-QWHCGFSZSA-N 1 0 320.393 1.948 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)c1 ZINC000266326252 274118208 /nfs/dbraw/zinc/11/82/08/274118208.db2.gz GGUIRBWWCXXQEK-RYUDHWBXSA-N 1 0 309.366 1.495 20 5 DDBDRO CS[C@@H]1CN(c2ncc([N+](=O)[O-])cc2F)C[C@H]1[NH+](C)C ZINC000413204623 274183344 /nfs/dbraw/zinc/18/33/44/274183344.db2.gz JGXOEODFTULHRM-GHMZBOCLSA-N 1 0 300.359 1.611 20 5 DDBDRO NC(=O)c1cc([N+](=O)[O-])cnc1NC1CC[NH+](C2CC2)CC1 ZINC000298273576 274940279 /nfs/dbraw/zinc/94/02/79/274940279.db2.gz CESADJJEJLUANT-UHFFFAOYSA-N 1 0 305.338 1.127 20 5 DDBDRO O=[N+]([O-])c1c(N2CCC[N@@H+](C3CC3)CC2)nc2sccn21 ZINC000057857711 275032706 /nfs/dbraw/zinc/03/27/06/275032706.db2.gz ZTGSUYKSITVQNS-UHFFFAOYSA-N 1 0 307.379 1.979 20 5 DDBDRO C[N@@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000119943293 277050367 /nfs/dbraw/zinc/05/03/67/277050367.db2.gz LYYIFFHGIABHKR-UHFFFAOYSA-N 1 0 314.345 1.921 20 5 DDBDRO C[N@@H+]1CCC[C@@H]2CN(c3nccc(C(N)=O)c3[N+](=O)[O-])CC[C@@H]21 ZINC000290497377 277070719 /nfs/dbraw/zinc/07/07/19/277070719.db2.gz ALVTTYSONHAHAQ-PWSUYJOCSA-N 1 0 319.365 1.009 20 5 DDBDRO C[N@@H+]1CC[C@@](O)(CN[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000433228306 277159250 /nfs/dbraw/zinc/15/92/50/277159250.db2.gz OJZOZNGWYMZMKJ-NVXWUHKLSA-N 1 0 319.405 1.973 20 5 DDBDRO C[C@@H](CC[NH3+])NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000336813460 278231060 /nfs/dbraw/zinc/23/10/60/278231060.db2.gz CNQGBVNAQGVBFB-ZETCQYMHSA-N 1 0 307.759 1.264 20 5 DDBDRO C[C@@H](CN1CCOCC1)[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000279723159 278262960 /nfs/dbraw/zinc/26/29/60/278262960.db2.gz MCQSLXKZMJXTSB-AWEZNQCLSA-N 1 0 323.393 1.626 20 5 DDBDRO C[C@]1(CNC(=O)NCCc2ccccc2[N+](=O)[O-])CCC[NH2+]C1 ZINC000417767749 278560890 /nfs/dbraw/zinc/56/08/90/278560890.db2.gz QWWAIJAOVHGTJX-INIZCTEOSA-N 1 0 320.393 1.826 20 5 DDBDRO Cc1c(C(=O)N2CCC[NH2+]CC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000237743252 280205376 /nfs/dbraw/zinc/20/53/76/280205376.db2.gz DTICSVVXHXXHCP-UHFFFAOYSA-N 1 0 322.321 1.555 20 5 DDBDRO C[C@@H](CCc1cccn1C)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000572393682 304522907 /nfs/dbraw/zinc/52/29/07/304522907.db2.gz SUHBDWGZLZDCMH-WFASDCNBSA-N 1 0 321.381 1.102 20 5 DDBDRO CNc1ccc(C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)cc1[N+](=O)[O-] ZINC000323707577 298261471 /nfs/dbraw/zinc/26/14/71/298261471.db2.gz JYZZKQMROPUFIJ-MRXNPFEDSA-N 1 0 318.377 1.804 20 5 DDBDRO C[C@@H]1C[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H]1CO ZINC000362100565 300005499 /nfs/dbraw/zinc/00/54/99/300005499.db2.gz XSZMJBSKTGDBPE-ZYHUDNBSSA-N 1 0 318.333 1.705 20 5 DDBDRO CC(C)OC(=O)CC[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000364324176 300376228 /nfs/dbraw/zinc/37/62/28/300376228.db2.gz LIWRERDPRKHYBO-GFCCVEGCSA-N 1 0 310.354 1.770 20 5 DDBDRO CNc1ccc(C(=O)NC[C@@](C)(O)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000574624717 304668870 /nfs/dbraw/zinc/66/88/70/304668870.db2.gz VKUGALODXZBSGZ-HNNXBMFYSA-N 1 0 324.381 1.069 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCC(=O)N[C@@H]1C1CC1 ZINC000368504816 301043569 /nfs/dbraw/zinc/04/35/69/301043569.db2.gz SDICCRDUEXHITK-CZUORRHYSA-N 1 0 319.361 1.750 20 5 DDBDRO Cc1c(CC(=O)N2CC[C@@H]3CC[N@@H+](C)[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000368587741 301059332 /nfs/dbraw/zinc/05/93/32/301059332.db2.gz DRYJEIJFSCZHAM-XJKSGUPXSA-N 1 0 317.389 1.998 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)n1 ZINC000408025351 301204910 /nfs/dbraw/zinc/20/49/10/301204910.db2.gz BCEFJGYNIBODNU-QWHCGFSZSA-N 1 0 306.366 1.516 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000371825247 301503577 /nfs/dbraw/zinc/50/35/77/301503577.db2.gz QTCZJRGJJODYSE-HOTGVXAUSA-N 1 0 305.378 1.939 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000420306756 301868305 /nfs/dbraw/zinc/86/83/05/301868305.db2.gz BBXJLPPCFDPGHN-GOEBONIOSA-N 1 0 318.421 1.944 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC000375251527 301917438 /nfs/dbraw/zinc/91/74/38/301917438.db2.gz WMAALQPOHHFOJN-UHFFFAOYSA-N 1 0 318.377 1.904 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2C[C@H]3CCCCCC[C@@H]32)c1 ZINC000375852257 302004655 /nfs/dbraw/zinc/00/46/55/302004655.db2.gz WLCXRYGDGQNBPW-YUELXQCFSA-N 1 0 308.382 1.807 20 5 DDBDRO CC(C)N1CC[C@@H]([NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1=O ZINC000376034979 302028692 /nfs/dbraw/zinc/02/86/92/302028692.db2.gz OVMAEBMIFJFQRP-CYBMUJFWSA-N 1 0 321.381 1.438 20 5 DDBDRO C[C@H](CCC[NH3+])NC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000516553993 302792313 /nfs/dbraw/zinc/79/23/13/302792313.db2.gz FMYZUTIQRVNLOO-LLVKDONJSA-N 1 0 310.354 1.400 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C1CCSCC1 ZINC000518362264 302824807 /nfs/dbraw/zinc/82/48/07/302824807.db2.gz MKFUEHVQFCPCCX-GFCCVEGCSA-N 1 0 312.391 1.820 20 5 DDBDRO CC[NH2+]CCCNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000520227647 302858901 /nfs/dbraw/zinc/85/89/01/302858901.db2.gz VNKVUXRXOWQGNO-UHFFFAOYSA-N 1 0 317.349 1.510 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000531726628 303253028 /nfs/dbraw/zinc/25/30/28/303253028.db2.gz QXIZQSMBMSFAAQ-AAEUAGOBSA-N 1 0 306.366 1.490 20 5 DDBDRO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cn1)[N@@H+]1CCCC[C@H]1C ZINC000532134480 303276353 /nfs/dbraw/zinc/27/63/53/303276353.db2.gz ZCMFMQXNBZBRBK-VXGBXAGGSA-N 1 0 306.366 1.983 20 5 DDBDRO CN(CCC[NH+](C)C)c1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000537191320 303371693 /nfs/dbraw/zinc/37/16/93/303371693.db2.gz BIIHZGRWGMVQBT-UHFFFAOYSA-N 1 0 315.395 1.386 20 5 DDBDRO [NH3+][C@H]1CCC[C@@H](CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000562980060 303905297 /nfs/dbraw/zinc/90/52/97/303905297.db2.gz HPPNRWAUYADTIM-ZJUUUORDSA-N 1 0 321.333 1.571 20 5 DDBDRO COc1ccc(CNC(=O)[C@@H]2CC[NH2+][C@@H](C)C2)cc1[N+](=O)[O-] ZINC000358676692 306947575 /nfs/dbraw/zinc/94/75/75/306947575.db2.gz FEJWMQVXCGLVPD-CMPLNLGQSA-N 1 0 307.350 1.608 20 5 DDBDRO C[NH+](C)CCCNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000362360978 307018582 /nfs/dbraw/zinc/01/85/82/307018582.db2.gz WRNIXKLVHNABMV-UHFFFAOYSA-N 1 0 301.293 1.483 20 5 DDBDRO C[C@H](C(=O)NC1CC1)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000369490146 307121713 /nfs/dbraw/zinc/12/17/13/307121713.db2.gz AABBQBMBEAYXLH-SNVBAGLBSA-N 1 0 307.354 1.095 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@H]2CCCC[C@H]2N2CCOCC2)c1 ZINC000373116041 307179408 /nfs/dbraw/zinc/17/94/08/307179408.db2.gz RFDQRMSYIZDFNL-HUUCEWRRSA-N 1 0 323.397 1.024 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CCCn3ccnc3)CC2)cn1 ZINC000561360009 307926421 /nfs/dbraw/zinc/92/64/21/307926421.db2.gz OTROTBNLFNOYFD-UHFFFAOYSA-N 1 0 316.365 1.399 20 5 DDBDRO COCC[NH2+]C1CCN(C(=O)c2cc([N+](=O)[O-])cnc2C)CC1 ZINC000563338758 307964611 /nfs/dbraw/zinc/96/46/11/307964611.db2.gz MFRJFLCUQCNVTF-UHFFFAOYSA-N 1 0 322.365 1.139 20 5 DDBDRO O=C(CC[NH2+][C@@H]1CC[S@@](=O)C1)Nc1ccccc1[N+](=O)[O-] ZINC000564848269 308008383 /nfs/dbraw/zinc/00/83/83/308008383.db2.gz DTCFSVSCUYNWST-LADRHHBVSA-N 1 0 311.363 1.034 20 5 DDBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@@H](N3CCOCC3)C2)c1 ZINC000565174952 308023560 /nfs/dbraw/zinc/02/35/60/308023560.db2.gz UPIYRRWJLWRCIX-MRXNPFEDSA-N 1 0 305.378 1.891 20 5 DDBDRO CC(C)[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000565233516 308026391 /nfs/dbraw/zinc/02/63/91/308026391.db2.gz MXSWYMBAZHCRHD-ZDUSSCGKSA-N 1 0 319.365 1.554 20 5 DDBDRO COC[C@@]1(CNC(=O)NCc2cccc([N+](=O)[O-])c2)CCC[NH2+]1 ZINC000569215032 308137045 /nfs/dbraw/zinc/13/70/45/308137045.db2.gz SZPXFMPVFVEMSM-HNNXBMFYSA-N 1 0 322.365 1.163 20 5 DDBDRO O=C(CC[NH2+][C@H]1CCCC[C@@H]1O)Nc1ccccc1[N+](=O)[O-] ZINC000571881946 308205429 /nfs/dbraw/zinc/20/54/29/308205429.db2.gz HZWGXMZHBLMEHN-JSGCOSHPSA-N 1 0 307.350 1.817 20 5 DDBDRO C[C@@H]1CN(C(=O)NCc2cccc([N+](=O)[O-])c2)C[C@@]1(C)C[NH3+] ZINC000575235362 308273665 /nfs/dbraw/zinc/27/36/65/308273665.db2.gz AASLPYIPYRVKHV-IAQYHMDHSA-N 1 0 306.366 1.721 20 5 DDBDRO O=C(NCC1CC[NH+](C2CC2)CC1)c1ccc([N+](=O)[O-])cn1 ZINC000577142603 308365802 /nfs/dbraw/zinc/36/58/02/308365802.db2.gz OWIAQTRCTOYBAC-UHFFFAOYSA-N 1 0 304.350 1.594 20 5 DDBDRO C[C@@H](CN1CCOCC1)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000577529766 308396476 /nfs/dbraw/zinc/39/64/76/308396476.db2.gz YZOQZTFUZDCTPP-WFASDCNBSA-N 1 0 305.378 1.892 20 5 DDBDRO CC1(C)[C@@H](O)C[C@@H]1[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000578080377 308435733 /nfs/dbraw/zinc/43/57/33/308435733.db2.gz VCIPYLUFEUKSNS-KBPBESRZSA-N 1 0 319.361 1.233 20 5 DDBDRO CNc1ccc(C(=O)N[C@H]2C[NH2+]CCC2(F)F)cc1[N+](=O)[O-] ZINC000580833137 308634640 /nfs/dbraw/zinc/63/46/40/308634640.db2.gz WTMGMRPZDILFDX-NSHDSACASA-N 1 0 314.292 1.364 20 5 DDBDRO CC(C)C[C@H](C[NH3+])NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000582600939 337111930 /nfs/dbraw/zinc/11/19/30/337111930.db2.gz KHVSAPPFFNBOJT-SECBINFHSA-N 1 0 309.322 1.427 20 5 DDBDRO Cc1ccnc(N2CCC[C@@H]([NH+]3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000584665507 337380271 /nfs/dbraw/zinc/38/02/71/337380271.db2.gz OWJQPOJZSGWRNX-CQSZACIVSA-N 1 0 320.393 1.989 20 5 DDBDRO COc1cc(C(=O)N[C@@H]2C[NH+]3CCC2CC3)cc([N+](=O)[O-])c1C ZINC001120774157 782133414 /nfs/dbraw/zinc/13/34/14/782133414.db2.gz KLFIIUKEZPKULG-CYBMUJFWSA-N 1 0 319.361 1.736 20 5 DDBDRO C[C@@H](CNC(=O)COc1ccc([N+](=O)[O-])c(F)c1)C[NH+](C)C ZINC000294013886 533900022 /nfs/dbraw/zinc/90/00/22/533900022.db2.gz ZSPIAHMUKCEWNU-JTQLQIEISA-N 1 0 313.329 1.427 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H](C)c1cn[nH]c1 ZINC000494643315 534338371 /nfs/dbraw/zinc/33/83/71/534338371.db2.gz PQTWRXHMGRZDMD-SNVBAGLBSA-N 1 0 303.322 1.916 20 5 DDBDRO [NH3+][C@H]1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000414947691 534729918 /nfs/dbraw/zinc/72/99/18/534729918.db2.gz LBJLRBLBBYSQPP-ZETCQYMHSA-N 1 0 316.264 1.761 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[N@H+]2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)c1 ZINC000451341753 534889320 /nfs/dbraw/zinc/88/93/20/534889320.db2.gz LQYRKOANRNAYGL-ZNMIVQPWSA-N 1 0 308.382 1.807 20 5 DDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000156322868 527375636 /nfs/dbraw/zinc/37/56/36/527375636.db2.gz DXMCJBNWGNRMDG-MNOVXSKESA-N 1 0 311.363 1.110 20 5 DDBDRO CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000422795720 527908814 /nfs/dbraw/zinc/90/88/14/527908814.db2.gz WJFMQIBSNFUSBB-TZMCWYRMSA-N 1 0 307.350 1.021 20 5 DDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@H]([NH3+])CC)cc1OC ZINC000295367422 528334908 /nfs/dbraw/zinc/33/49/08/528334908.db2.gz ZWQPMVGNCKQIGC-SECBINFHSA-N 1 0 311.338 1.469 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000423618649 528693345 /nfs/dbraw/zinc/69/33/45/528693345.db2.gz HLPKCJOYIXYJJM-MNOVXSKESA-N 1 0 307.350 1.864 20 5 DDBDRO CC[C@@H]([NH2+]CCN1C(=O)N[C@H](C)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000459392958 529164341 /nfs/dbraw/zinc/16/43/41/529164341.db2.gz XAHILMXUBKWYFG-ZWNOBZJWSA-N 1 0 320.349 1.576 20 5 DDBDRO CC[NH+](CC)C[C@H](C)Nc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000736533759 598500494 /nfs/dbraw/zinc/50/04/94/598500494.db2.gz KMBKYTWNCNGPNP-VIFPVBQESA-N 1 0 320.357 1.312 20 5 DDBDRO C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CC[N@@H+]1C ZINC000820664754 599588643 /nfs/dbraw/zinc/58/86/43/599588643.db2.gz BQDHMOSQSCXTNL-NXEZZACHSA-N 1 0 317.353 1.670 20 5 DDBDRO CCC[N@H+](CC)CCNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC000821094299 606715030 /nfs/dbraw/zinc/71/50/30/606715030.db2.gz GDAULUBHJGEDEC-UHFFFAOYSA-N 1 0 320.357 1.314 20 5 DDBDRO CCC[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000054266445 696274611 /nfs/dbraw/zinc/27/46/11/696274611.db2.gz KEJJBKRRKHOLAC-UHFFFAOYSA-N 1 0 301.368 1.181 20 5 DDBDRO CC(C)(C)C(=O)NC[C@H]1CCCN(Cn2cc([N+](=O)[O-])cn2)C1 ZINC000112695058 696651994 /nfs/dbraw/zinc/65/19/94/696651994.db2.gz GTOSBTPTRJINSA-GFCCVEGCSA-N 1 0 323.397 1.623 20 5 DDBDRO CON(C)C(=O)CC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000799143227 700122465 /nfs/dbraw/zinc/12/24/65/700122465.db2.gz KIQCFMYPUCGOGJ-UHFFFAOYSA-N 1 0 307.350 1.969 20 5 DDBDRO CCNS(=O)(=O)CC[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000221996646 697755727 /nfs/dbraw/zinc/75/57/27/697755727.db2.gz YIKXZZDLUIVHCH-NSHDSACASA-N 1 0 315.395 1.493 20 5 DDBDRO CCCc1n[nH]c(C(=O)NOC2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000773549753 697778184 /nfs/dbraw/zinc/77/81/84/697778184.db2.gz MRILSQAORLNKPT-UHFFFAOYSA-N 1 0 311.342 1.026 20 5 DDBDRO O=[N+]([O-])c1ccc(Br)c(OC[C@@H]2C[NH2+]CCO2)c1 ZINC000230804169 697784957 /nfs/dbraw/zinc/78/49/57/697784957.db2.gz YFEGHZONILMZBR-VIFPVBQESA-N 1 0 317.139 1.725 20 5 DDBDRO CC[C@](C)(CC(=O)OC)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776591409 698123696 /nfs/dbraw/zinc/12/36/96/698123696.db2.gz MFOGNSMDZVKCGT-UKRRQHHQSA-N 1 0 310.350 1.950 20 5 DDBDRO C[C@@]1(C[NH3+])CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000261726782 698434823 /nfs/dbraw/zinc/43/48/23/698434823.db2.gz JSLHQLYUUPYUNN-JTQLQIEISA-N 1 0 305.381 1.016 20 5 DDBDRO C[C@@H]([NH3+])[C@H]1CCCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000261946617 698446695 /nfs/dbraw/zinc/44/66/95/698446695.db2.gz MJVFCLJORCZAHF-PWSUYJOCSA-N 1 0 306.366 1.253 20 5 DDBDRO C[C@@H](CNC(=O)Nc1ccncc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000781456284 698621700 /nfs/dbraw/zinc/62/17/00/698621700.db2.gz WPVSQCQSLZDEPB-NSHDSACASA-N 1 0 307.354 1.408 20 5 DDBDRO C[C@@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@@H]1O ZINC000782524607 698734124 /nfs/dbraw/zinc/73/41/24/698734124.db2.gz OMGPJTVWRLUXRF-RNCFNFMXSA-N 1 0 311.313 1.375 20 5 DDBDRO C[C@H]1CC[C@@H]1[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000783225180 698821291 /nfs/dbraw/zinc/82/12/91/698821291.db2.gz PBUHGMUJXJGWIJ-GWCFXTLKSA-N 1 0 313.379 1.261 20 5 DDBDRO C[C@H]1OCC[C@@]1(O)C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000789776515 699408602 /nfs/dbraw/zinc/40/86/02/699408602.db2.gz GEYPBJDJMPNXKT-NOZJJQNGSA-N 1 0 300.742 1.878 20 5 DDBDRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000731455911 699529193 /nfs/dbraw/zinc/52/91/93/699529193.db2.gz XGRXQMVBAAUZTA-OCCSQVGLSA-N 1 0 323.324 1.327 20 5 DDBDRO CC(C)[C@H](C[NH+](C)C)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000733166429 699581646 /nfs/dbraw/zinc/58/16/46/699581646.db2.gz PHEIYLRHMGAMSC-ZDUSSCGKSA-N 1 0 324.337 1.819 20 5 DDBDRO C[NH+](C)[C@@H]1CCCN(Cn2c(=O)oc3cccc([N+](=O)[O-])c32)C1 ZINC000794634394 699820313 /nfs/dbraw/zinc/82/03/13/699820313.db2.gz XBVHKHCTCAIWNJ-LLVKDONJSA-N 1 0 320.349 1.486 20 5 DDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[N@H+](C)[C@H](C)C1 ZINC000761077383 700840755 /nfs/dbraw/zinc/84/07/55/700840755.db2.gz RTSBDVIZGKKQQU-VXGBXAGGSA-N 1 0 306.366 1.558 20 5 DDBDRO C[C@@H]([NH2+][C@H](CCO)C1CC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000763061417 700923096 /nfs/dbraw/zinc/92/30/96/700923096.db2.gz XSAUBWGVUXZJEO-QMTHXVAHSA-N 1 0 307.350 1.672 20 5 DDBDRO CC(C)(C(=O)OCC[NH+]1CCCCC1)n1cc([N+](=O)[O-])cn1 ZINC000770361479 701275258 /nfs/dbraw/zinc/27/52/58/701275258.db2.gz SOWUTYZRHBCZGB-UHFFFAOYSA-N 1 0 310.354 1.556 20 5 DDBDRO Cn1ncc(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)n1 ZINC000806166867 701428566 /nfs/dbraw/zinc/42/85/66/701428566.db2.gz CODOUYPOEBYLFG-NEPJUHHUSA-N 1 0 305.342 1.193 20 5 DDBDRO C[N@@H+]1CCCN(c2ccc(NC(=O)[C@@H]3CC3[N+](=O)[O-])cc2)CC1 ZINC000839543359 701730964 /nfs/dbraw/zinc/73/09/64/701730964.db2.gz JHVICWWDLNQHCX-HUUCEWRRSA-N 1 0 318.377 1.432 20 5 DDBDRO CC(C)[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C[C@H]1CCC(=O)N1 ZINC000839670015 701774536 /nfs/dbraw/zinc/77/45/36/701774536.db2.gz REVCMAGDSHXZLG-UKRRQHHQSA-N 1 0 321.377 1.617 20 5 DDBDRO Cc1ccc(CNC(=O)[C@@H]2C[C@]23CCC[NH2+]C3)cc1[N+](=O)[O-] ZINC000867996226 701880117 /nfs/dbraw/zinc/88/01/17/701880117.db2.gz UVGWOYZZFYIFNF-BBRMVZONSA-N 1 0 303.362 1.909 20 5 DDBDRO COC[C@@]1(C)CCN(Cn2c(=O)oc3cccc([N+](=O)[O-])c32)C1 ZINC000840105796 701971488 /nfs/dbraw/zinc/97/14/88/701971488.db2.gz RJSZGMZUWNRVJG-HNNXBMFYSA-N 1 0 321.333 1.819 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)c1 ZINC000812321484 702147329 /nfs/dbraw/zinc/14/73/29/702147329.db2.gz DWQWIIJRFGEUKA-OLZOCXBDSA-N 1 0 303.362 1.927 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(c3nc4ccccn4c3[N+](=O)[O-])CC[C@@H]21 ZINC000866206013 706648539 /nfs/dbraw/zinc/64/85/39/706648539.db2.gz ICIDIQGBTCXJBY-NEPJUHHUSA-N 1 0 301.350 1.773 20 5 DDBDRO CC1(C)C[NH2+]CCN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000818524753 702659064 /nfs/dbraw/zinc/65/90/64/702659064.db2.gz RGZIQGWCAXHWDZ-UHFFFAOYSA-N 1 0 308.294 1.327 20 5 DDBDRO [NH3+]CC1(O)CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000842512560 702730230 /nfs/dbraw/zinc/73/02/30/702730230.db2.gz RRCVNIZFOBSUJV-UHFFFAOYSA-N 1 0 313.741 1.174 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCCN2CCC(O)CC2)c1 ZINC000843061136 702810461 /nfs/dbraw/zinc/81/04/61/702810461.db2.gz AAJPSUNNQKQVQC-MRXNPFEDSA-N 1 0 323.393 1.065 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)CNC[C@H](O)C[NH+]2CCCCC2)c1 ZINC000843062701 702811397 /nfs/dbraw/zinc/81/13/97/702811397.db2.gz RERBHLNKBIXNKW-JKSUJKDBSA-N 1 0 323.393 1.065 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H](CO)Cc2ccccc2)c1 ZINC000843072957 702813793 /nfs/dbraw/zinc/81/37/93/702813793.db2.gz HUNSSXLCGYJNLN-DOTOQJQBSA-N 1 0 316.357 1.821 20 5 DDBDRO O=[N+]([O-])c1ccccc1NCCc1noc([C@@]2(F)CC[NH2+]C2)n1 ZINC000843184628 702835679 /nfs/dbraw/zinc/83/56/79/702835679.db2.gz GJSQWEYPQUIFIR-CQSZACIVSA-N 1 0 321.312 1.791 20 5 DDBDRO O=[N+]([O-])c1ccccc1NCCc1noc([C@]2(F)CC[NH2+]C2)n1 ZINC000843184625 702835713 /nfs/dbraw/zinc/83/57/13/702835713.db2.gz GJSQWEYPQUIFIR-AWEZNQCLSA-N 1 0 321.312 1.791 20 5 DDBDRO C[NH2+]CCCNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000843303949 702856459 /nfs/dbraw/zinc/85/64/59/702856459.db2.gz NRPSQFCWHPVLMP-UHFFFAOYSA-N 1 0 303.721 1.656 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)NCC[NH2+]C2CC2)cc1[N+](=O)[O-] ZINC000843335805 702861687 /nfs/dbraw/zinc/86/16/87/702861687.db2.gz PYRXDWZQUZXBND-UHFFFAOYSA-N 1 0 308.294 1.293 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)cc1[N+](=O)[O-] ZINC000843344058 702863033 /nfs/dbraw/zinc/86/30/33/702863033.db2.gz OJWZSIVQKFTLIW-RKDXNWHRSA-N 1 0 322.321 1.634 20 5 DDBDRO C[C@H]([NH3+])CNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000843472814 702888940 /nfs/dbraw/zinc/88/89/40/702888940.db2.gz DWRLTZKTABEHGI-YFKPBYRVSA-N 1 0 320.118 1.573 20 5 DDBDRO COc1ccc(NC(=O)CO[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000843486494 702891293 /nfs/dbraw/zinc/89/12/93/702891293.db2.gz TWNOTNXVUYBWSU-NSHDSACASA-N 1 0 309.322 1.311 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1-c1noc([C@]23C[NH2+]C[C@H]2COC3)n1 ZINC000844910700 703083530 /nfs/dbraw/zinc/08/35/30/703083530.db2.gz XAOYRKOARIPFDF-BONVTDFDSA-N 1 0 316.317 1.441 20 5 DDBDRO C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N)[C@@H]1CC[NH3+] ZINC000846694093 703318714 /nfs/dbraw/zinc/31/87/14/703318714.db2.gz MNEAGSKQPABJJK-QMTHXVAHSA-N 1 0 306.366 1.767 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)OCC[C@H]1CC[N@@H+](C)C1 ZINC000847827374 703473824 /nfs/dbraw/zinc/47/38/24/703473824.db2.gz PFULRFHUMFBASK-GFCCVEGCSA-N 1 0 310.354 1.375 20 5 DDBDRO Cn1cc([C@H](O)C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])cn1 ZINC000848527953 703561414 /nfs/dbraw/zinc/56/14/14/703561414.db2.gz AUEMPUAATBJHMB-UKRRQHHQSA-N 1 0 302.334 1.639 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCO[C@@H]2CC2(F)F)c1 ZINC000849327707 703635759 /nfs/dbraw/zinc/63/57/59/703635759.db2.gz UWFXGEKWRIQCKO-NWDGAFQWSA-N 1 0 302.277 1.642 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H](O)c1cnn(C)c1 ZINC000850438081 703731190 /nfs/dbraw/zinc/73/11/90/703731190.db2.gz SMQKRVHHXJMUOR-HZMBPMFUSA-N 1 0 320.349 1.721 20 5 DDBDRO Cc1noc(CN2CCC[C@H](N3CCCCC3=O)C2)c1[N+](=O)[O-] ZINC000851767451 703849728 /nfs/dbraw/zinc/84/97/28/703849728.db2.gz FBSFQIJDQDZXKT-LBPRGKRZSA-N 1 0 322.365 1.868 20 5 DDBDRO Cc1cccc(C(=O)N[C@H]2CC[N@H+](CC(C)(C)O)C2)c1[N+](=O)[O-] ZINC000869784698 703852546 /nfs/dbraw/zinc/85/25/46/703852546.db2.gz NBAAFPHGXIPWFC-LBPRGKRZSA-N 1 0 321.377 1.478 20 5 DDBDRO O=C(CCN1CCC[C@@H]2[NH2+]CC[C@@H]21)Nc1ccc([N+](=O)[O-])cc1 ZINC000866721915 706775890 /nfs/dbraw/zinc/77/58/90/706775890.db2.gz QXLFUZQDVCXBIJ-GJZGRUSLSA-N 1 0 318.377 1.750 20 5 DDBDRO O=C1OCCN1[C@@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000852432693 704045473 /nfs/dbraw/zinc/04/54/73/704045473.db2.gz NXNFLGZXRVLXBC-GFCCVEGCSA-N 1 0 321.333 1.500 20 5 DDBDRO COC(=O)N1CCC[C@@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000819003041 704049506 /nfs/dbraw/zinc/04/95/06/704049506.db2.gz MUEGTGAEFJSYGL-OCCSQVGLSA-N 1 0 323.349 1.449 20 5 DDBDRO CN(C)c1ncc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)n1C ZINC000819062271 704063686 /nfs/dbraw/zinc/06/36/86/704063686.db2.gz CTVYMNXZLYVRKR-AWEZNQCLSA-N 1 0 319.365 1.218 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCOC[C@H]2CCCO2)c1 ZINC000819073818 704065255 /nfs/dbraw/zinc/06/52/55/704065255.db2.gz PMMRRJZHIIAQSL-HUUCEWRRSA-N 1 0 310.350 1.413 20 5 DDBDRO CCc1nncn1CC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819088836 704068670 /nfs/dbraw/zinc/06/86/70/704068670.db2.gz FYXOHRHJTVWFNN-CYBMUJFWSA-N 1 0 305.338 1.072 20 5 DDBDRO CC1(O)CCC([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000819133403 704074408 /nfs/dbraw/zinc/07/44/08/704074408.db2.gz QIPHKKROJCAEAB-MFOWVQHXSA-N 1 0 324.377 1.618 20 5 DDBDRO CON(C)C(=O)CC[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000819212918 704087415 /nfs/dbraw/zinc/08/74/15/704087415.db2.gz QUFYIRZPWHZBHW-UHFFFAOYSA-N 1 0 315.757 1.790 20 5 DDBDRO CCS(=O)(=O)CCC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819367461 704113921 /nfs/dbraw/zinc/11/39/21/704113921.db2.gz HMFWTGRJZGVJJI-ZDUSSCGKSA-N 1 0 316.379 1.043 20 5 DDBDRO C[C@H](C[C@@H]1CCCC[N@@H+]1C)OC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000870789995 704133026 /nfs/dbraw/zinc/13/30/26/704133026.db2.gz LXJYCTUEUGYULM-NEPJUHHUSA-N 1 0 310.354 1.597 20 5 DDBDRO CN(CC1C[NH+](C)C1)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000853552744 704266732 /nfs/dbraw/zinc/26/67/32/704266732.db2.gz DOIGLBJDLMRAKG-UHFFFAOYSA-N 1 0 316.365 1.304 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCC1(O)CC[NH+](C)CC1 ZINC000820439225 704279388 /nfs/dbraw/zinc/27/93/88/704279388.db2.gz GFLBTTWTLHBWIX-UHFFFAOYSA-N 1 0 321.377 1.398 20 5 DDBDRO O=[N+]([O-])c1ccn(C2CCN(c3cc[nH+]c(CO)c3)CC2)n1 ZINC000858519125 704721606 /nfs/dbraw/zinc/72/16/06/704721606.db2.gz SINYJJJKQZJMEC-UHFFFAOYSA-N 1 0 303.322 1.520 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)CN2CC[NH+](CCCF)CC2)c1 ZINC000860008083 705068817 /nfs/dbraw/zinc/06/88/17/705068817.db2.gz MRLIFYAWRYUNFE-OAHLLOKOSA-N 1 0 311.357 1.605 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000874848152 705201347 /nfs/dbraw/zinc/20/13/47/705201347.db2.gz RUWYMZWEGNRLQP-ZIAGYGMSSA-N 1 0 304.350 1.607 20 5 DDBDRO O=C(NCCC[NH+]1CCCCC1)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000823931944 705341076 /nfs/dbraw/zinc/34/10/76/705341076.db2.gz UQDYVTJRJIAMBP-HNNXBMFYSA-N 1 0 321.377 1.620 20 5 DDBDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823968187 705347037 /nfs/dbraw/zinc/34/70/37/705347037.db2.gz MNTNISDNQSXLPM-VHSXEESVSA-N 1 0 307.354 1.733 20 5 DDBDRO Nc1ccc(NC(=O)NCC[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000824003084 705353200 /nfs/dbraw/zinc/35/32/00/705353200.db2.gz OGJFRFAIPCYILJ-UHFFFAOYSA-N 1 0 307.354 1.784 20 5 DDBDRO C[C@H]([NH3+])CN(C)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000861589315 705512351 /nfs/dbraw/zinc/51/23/51/705512351.db2.gz BITFICIXDQOVAB-LBPRGKRZSA-N 1 0 308.382 1.906 20 5 DDBDRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000861608027 705519307 /nfs/dbraw/zinc/51/93/07/705519307.db2.gz IMCXKBLITATUBE-QPUJVOFHSA-N 1 0 312.757 1.798 20 5 DDBDRO [NH3+]C[C@@H]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000825188186 705620034 /nfs/dbraw/zinc/62/00/34/705620034.db2.gz GZXVPSDZXUQZPM-SCZZXKLOSA-N 1 0 308.294 1.360 20 5 DDBDRO C[C@@H]1C[N@H+](CCO)CCN1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000825338284 705649041 /nfs/dbraw/zinc/64/90/41/705649041.db2.gz NXBXCIBCJIUHIL-LLVKDONJSA-N 1 0 313.785 1.747 20 5 DDBDRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825379940 705658570 /nfs/dbraw/zinc/65/85/70/705658570.db2.gz UECFAZGVPIEYPG-IAQYHMDHSA-N 1 0 319.361 1.229 20 5 DDBDRO C[NH+](C)C[C@H]1CCCCN1C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825699419 705717425 /nfs/dbraw/zinc/71/74/25/705717425.db2.gz BGBALPRMKRPKPP-HUUCEWRRSA-N 1 0 321.377 1.571 20 5 DDBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825830353 705735325 /nfs/dbraw/zinc/73/53/25/705735325.db2.gz KNQHOVDEIUKUMP-HUUCEWRRSA-N 1 0 321.377 1.619 20 5 DDBDRO CN(C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1C[NH+]2CCC1CC2 ZINC000825835105 705735435 /nfs/dbraw/zinc/73/54/35/705735435.db2.gz BQKFLCBRHGQPDJ-GJZGRUSLSA-N 1 0 319.361 1.181 20 5 DDBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000876569190 705762590 /nfs/dbraw/zinc/76/25/90/705762590.db2.gz XNVWAMIATWFSAA-NWDGAFQWSA-N 1 0 313.741 1.323 20 5 DDBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876702793 705826946 /nfs/dbraw/zinc/82/69/46/705826946.db2.gz FHMXUKWPOWIDKE-PELKAZGASA-N 1 0 315.732 1.812 20 5 DDBDRO Cn1cc(CCC[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)cn1 ZINC000876997549 705952957 /nfs/dbraw/zinc/95/29/57/705952957.db2.gz ZZEWZMXRRGXUEL-UHFFFAOYSA-N 1 0 304.354 1.451 20 5 DDBDRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000877022197 705962066 /nfs/dbraw/zinc/96/20/66/705962066.db2.gz JHHKJLCCEKGNPU-QWHCGFSZSA-N 1 0 306.366 1.531 20 5 DDBDRO COc1c(C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)cccc1[N+](=O)[O-] ZINC000827264786 705963255 /nfs/dbraw/zinc/96/32/55/705963255.db2.gz DOTUQMFNNVMITF-WCQYABFASA-N 1 0 319.361 1.770 20 5 DDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@H](CO)c3ccccc3)C2)c1 ZINC000877073896 705977538 /nfs/dbraw/zinc/97/75/38/705977538.db2.gz VICGAYSLXZFRMW-WLYUNCDWSA-N 1 0 316.361 1.861 20 5 DDBDRO C[C@@H]([NH3+])CN(C)C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000877101840 705984043 /nfs/dbraw/zinc/98/40/43/705984043.db2.gz SGRFLFQKGGFPAG-SECBINFHSA-N 1 0 315.757 1.823 20 5 DDBDRO [NH3+]C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])s2)C[C@@H]1C(F)(F)F ZINC000877366526 706082414 /nfs/dbraw/zinc/08/24/14/706082414.db2.gz KVPZFHGVMRFWNN-BQBZGAKWSA-N 1 0 323.296 1.866 20 5 DDBDRO Cn1c(C(=O)N[C@@H]2CCCCC23CC[NH2+]CC3)ccc1[N+](=O)[O-] ZINC000877405393 706098182 /nfs/dbraw/zinc/09/81/82/706098182.db2.gz JYBDKKTYOUDDLO-CYBMUJFWSA-N 1 0 320.393 1.976 20 5 DDBDRO CO[C@H](C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)[C@@H]1CCOC1 ZINC000877620956 706161951 /nfs/dbraw/zinc/16/19/51/706161951.db2.gz OAQQEAMGHKPWLV-MLCFOIATSA-N 1 0 310.354 1.136 20 5 DDBDRO CCOC(=O)C1=CC[C@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000877655395 706171736 /nfs/dbraw/zinc/17/17/36/706171736.db2.gz WZCXCDYGJIYZJI-HIFPTAJRSA-N 1 0 320.349 1.736 20 5 DDBDRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1c(F)cccc1[N+](=O)[O-] ZINC000865057861 706338085 /nfs/dbraw/zinc/33/80/85/706338085.db2.gz FXDTVXVYTQFIDS-QWRGUYRKSA-N 1 0 323.324 1.327 20 5 DDBDRO Cc1ccc(NCCCNC(=O)C[C@H]([NH3+])C2CC2)c([N+](=O)[O-])c1 ZINC000830219321 706478317 /nfs/dbraw/zinc/47/83/17/706478317.db2.gz NXZHOPITSCXXJF-ZDUSSCGKSA-N 1 0 320.393 1.949 20 5 DDBDRO COCCN(CC1CC[NH+](C)CC1)c1c([N+](=O)[O-])ncn1C ZINC000865996373 706588464 /nfs/dbraw/zinc/58/84/64/706588464.db2.gz HKWSABJECNQCJA-UHFFFAOYSA-N 1 0 311.386 1.123 20 5 DDBDRO C[C@@H](NC[C@H]1C[N@H+](C)CCN1C)c1c(F)cccc1[N+](=O)[O-] ZINC000872036702 707284457 /nfs/dbraw/zinc/28/44/57/707284457.db2.gz VKXWGKMFSIKDOI-NEPJUHHUSA-N 1 0 310.373 1.630 20 5 DDBDRO COC[C@@H](C)OC[C@@H](O)C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000872249512 707348728 /nfs/dbraw/zinc/34/87/28/707348728.db2.gz WKHUCHBOKGRWHE-AGIUHOORSA-N 1 0 312.366 1.658 20 5 DDBDRO C[C@@H](CN(C)CCC[NH+](C)C)Nc1ccnc(F)c1[N+](=O)[O-] ZINC000882580879 707706969 /nfs/dbraw/zinc/70/69/69/707706969.db2.gz JANBXEBDMOQICV-NSHDSACASA-N 1 0 313.377 1.813 20 5 DDBDRO Nc1ccc(N2CCC[C@H]([NH2+]C3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000882726266 707762714 /nfs/dbraw/zinc/76/27/14/707762714.db2.gz PDAFEPTXUURMKD-AWEZNQCLSA-N 1 0 320.393 1.914 20 5 DDBDRO O=[N+]([O-])c1cnc(N2CCC[C@@H]([NH2+]C3CCOCC3)C2)c(F)c1 ZINC000882727218 707763142 /nfs/dbraw/zinc/76/31/42/707763142.db2.gz PDGVZQYJWSTQGC-GFCCVEGCSA-N 1 0 324.356 1.866 20 5 DDBDRO CC(C)C[C@H](CO)[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000882916316 707848286 /nfs/dbraw/zinc/84/82/86/707848286.db2.gz MOWFOROWCBPEHM-GFCCVEGCSA-N 1 0 310.350 1.863 20 5 DDBDRO CC(C)C[C@@H](CO)[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000882916317 707848447 /nfs/dbraw/zinc/84/84/47/707848447.db2.gz MOWFOROWCBPEHM-LBPRGKRZSA-N 1 0 310.350 1.863 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)c1 ZINC000897221630 708259561 /nfs/dbraw/zinc/25/95/61/708259561.db2.gz NXPCAXCOMKJUPJ-UONOGXRCSA-N 1 0 305.378 1.939 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)c1 ZINC000886584516 708782656 /nfs/dbraw/zinc/78/26/56/708782656.db2.gz QISFDSGASFYJDQ-YUDUHTQSSA-N 1 0 322.361 1.037 20 5 DDBDRO COC[C@@H]([NH2+]CCn1c(C)ncc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000886918181 708894488 /nfs/dbraw/zinc/89/44/88/708894488.db2.gz TYPVDUULUHZYHH-CHWSQXEVSA-N 1 0 312.370 1.131 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCN(C)CCN(C)CC1 ZINC000888985091 709422115 /nfs/dbraw/zinc/42/21/15/709422115.db2.gz KYACHMZITJADNU-UHFFFAOYSA-N 1 0 320.393 1.223 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC000900812299 709773654 /nfs/dbraw/zinc/77/36/54/709773654.db2.gz UVXVWWDWHOUBEI-JSGCOSHPSA-N 1 0 320.393 1.267 20 5 DDBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000891446120 710203498 /nfs/dbraw/zinc/20/34/98/710203498.db2.gz LZCRJVVLSYBFHV-ZIAGYGMSSA-N 1 0 304.350 1.631 20 5 DDBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000891447811 710204467 /nfs/dbraw/zinc/20/44/67/710204467.db2.gz XWMSZOBMVAXQEC-DZGCQCFKSA-N 1 0 304.350 1.679 20 5 DDBDRO CNc1cc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)ncn1 ZINC000891449903 710204946 /nfs/dbraw/zinc/20/49/46/710204946.db2.gz CTYDKZPBBBICOK-UHFFFAOYSA-N 1 0 314.349 1.753 20 5 DDBDRO Cn1c2ccccc2c(NC2CC[NH+](C)CC2)c([N+](=O)[O-])c1=O ZINC000891571051 710238364 /nfs/dbraw/zinc/23/83/64/710238364.db2.gz JRMNYXDBRQOACB-UHFFFAOYSA-N 1 0 316.361 1.953 20 5 DDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000891606698 710246793 /nfs/dbraw/zinc/24/67/93/710246793.db2.gz IGVNEEITFWLKLY-GDBMZVCRSA-N 1 0 318.377 1.721 20 5 DDBDRO C[C@@H](NC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1)c1ccccc1[N+](=O)[O-] ZINC000891747995 710283306 /nfs/dbraw/zinc/28/33/06/710283306.db2.gz BONCQRMYAPIKER-BFQNTYOBSA-N 1 0 318.377 1.907 20 5 DDBDRO O=[N+]([O-])c1cccc(N2CCN(c3cc[nH+]cc3CO)CC2)c1 ZINC000891862974 710312519 /nfs/dbraw/zinc/31/25/19/710312519.db2.gz ZXUCJYUPPFGGCW-UHFFFAOYSA-N 1 0 314.345 1.809 20 5 DDBDRO COc1c(O)ccc(CN2CC[C@H]([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000891864494 710312615 /nfs/dbraw/zinc/31/26/15/710312615.db2.gz REOAMDMRKSSMHC-ZDUSSCGKSA-N 1 0 321.377 1.979 20 5 DDBDRO COc1c(O)ccc(CN(C)[C@@H]2CC[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000891941322 710333889 /nfs/dbraw/zinc/33/38/89/710333889.db2.gz WGEXUYHLQFHFFF-CYBMUJFWSA-N 1 0 321.377 1.978 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000913293487 713193568 /nfs/dbraw/zinc/19/35/68/713193568.db2.gz PATJYUHJFIAELW-HZPDHXFCSA-N 1 0 318.377 1.712 20 5 DDBDRO C[C@@H]1[C@@H](NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC[N@@H+]1C ZINC000928434470 713194332 /nfs/dbraw/zinc/19/43/32/713194332.db2.gz DZEZKJQHPJYNKJ-SCZZXKLOSA-N 1 0 307.306 1.146 20 5 DDBDRO C[C@H]1CN(C(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)CC[NH2+]1 ZINC000911812661 711008809 /nfs/dbraw/zinc/00/88/09/711008809.db2.gz TVIOGQGNDLSLHQ-JTQLQIEISA-N 1 0 321.333 1.190 20 5 DDBDRO [NH3+]CCN(Cc1cnc2n1CCOC2)c1ccccc1[N+](=O)[O-] ZINC000894447610 711124648 /nfs/dbraw/zinc/12/46/48/711124648.db2.gz CDKLSKRWPDHJOO-UHFFFAOYSA-N 1 0 317.349 1.287 20 5 DDBDRO Cc1cc(N2CCC(O)(C[NH+](C)C)CC2)c(F)cc1[N+](=O)[O-] ZINC000894957697 711339157 /nfs/dbraw/zinc/33/91/57/711339157.db2.gz YKCRENYRPVQGPA-UHFFFAOYSA-N 1 0 311.357 1.935 20 5 DDBDRO COc1c(O)ccc(CN(C)C[C@H]2CCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000894981423 711349427 /nfs/dbraw/zinc/34/94/27/711349427.db2.gz IFUVBUPBGVTVQW-GFCCVEGCSA-N 1 0 309.366 1.835 20 5 DDBDRO CCC[C@@H]1CN(c2cc(C(=O)OC)ccc2[N+](=O)[O-])CC[NH2+]1 ZINC000895056557 711390085 /nfs/dbraw/zinc/39/00/85/711390085.db2.gz ADNPVUIRFPUCIJ-GFCCVEGCSA-N 1 0 307.350 1.960 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2c1nc2ccccn2c1[N+](=O)[O-] ZINC000895192996 711449575 /nfs/dbraw/zinc/44/95/75/711449575.db2.gz PIGWKFPJTLNSKR-NWDGAFQWSA-N 1 0 301.350 1.915 20 5 DDBDRO CCO[C@@H](CNc1nc2sccn2c1[N+](=O)[O-])C[NH+](C)C ZINC000896116153 711678515 /nfs/dbraw/zinc/67/85/15/711678515.db2.gz DZNSOCJLUHATPO-VIFPVBQESA-N 1 0 313.383 1.683 20 5 DDBDRO O=[N+]([O-])CC[NH2+]C[C@@H](CO)Cc1ccc(Br)cc1 ZINC000905366550 712017389 /nfs/dbraw/zinc/01/73/89/712017389.db2.gz PBSPRIGQKOVIQP-NSHDSACASA-N 1 0 317.183 1.466 20 5 DDBDRO COC[C@H]1C[C@@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000905430740 712036058 /nfs/dbraw/zinc/03/60/58/712036058.db2.gz PBGWJZHOMWPEJH-MBNYWOFBSA-N 1 0 310.350 1.349 20 5 DDBDRO CN1C[C@H](CC[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1=O ZINC000905533478 712068113 /nfs/dbraw/zinc/06/81/13/712068113.db2.gz PYSXEGYJMJIDSM-BXUZGUMPSA-N 1 0 307.350 1.086 20 5 DDBDRO CC(C)O[C@]1(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCOC1 ZINC000905557451 712076923 /nfs/dbraw/zinc/07/69/23/712076923.db2.gz OGSFVBQKZXITDE-HOTGVXAUSA-N 1 0 324.377 1.802 20 5 DDBDRO C[C@@H]1CCN(Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)CCO1 ZINC000905741620 712136182 /nfs/dbraw/zinc/13/61/82/712136182.db2.gz XVKMSUJHHQVCMG-GFCCVEGCSA-N 1 0 317.349 1.922 20 5 DDBDRO CC[C@H](CO)[NH2+]CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000916570525 713458396 /nfs/dbraw/zinc/45/83/96/713458396.db2.gz IKRUVSCMDMBRLH-SECBINFHSA-N 1 0 301.730 1.547 20 5 DDBDRO C[C@H]1[C@H]([NH+](C)C)CCN1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000931043934 713989592 /nfs/dbraw/zinc/98/95/92/713989592.db2.gz RSFAHQQADZNCLV-IINYFYTJSA-N 1 0 303.366 1.996 20 5 DDBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000931044510 713989624 /nfs/dbraw/zinc/98/96/24/713989624.db2.gz NNODNCYMAIEMTG-IUODEOHRSA-N 1 0 320.393 1.948 20 5 DDBDRO C[N@H+]1C[C@H]2CC[C@@H](C1)N2Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000931392357 714082862 /nfs/dbraw/zinc/08/28/62/714082862.db2.gz WEZMIKMKOQYTPL-TXEJJXNPSA-N 1 0 301.350 1.750 20 5 DDBDRO CCN1CCC[C@@H]([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)C1=O ZINC000922641174 714109046 /nfs/dbraw/zinc/10/90/46/714109046.db2.gz ZBFDTIQSQHEZPS-GFCCVEGCSA-N 1 0 307.350 1.704 20 5 DDBDRO C[N@@H+]1C[C@@H]2CCN(C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000931609186 714138114 /nfs/dbraw/zinc/13/81/14/714138114.db2.gz DDQFAIYHSHJTTG-TVQRCGJNSA-N 1 0 308.313 1.902 20 5 DDBDRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)C1 ZINC000931609187 714138141 /nfs/dbraw/zinc/13/81/41/714138141.db2.gz DDQFAIYHSHJTTG-ZANVPECISA-N 1 0 308.313 1.902 20 5 DDBDRO CCOc1cc(NC(=O)NC[C@@H]2CC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000931903648 714209275 /nfs/dbraw/zinc/20/92/75/714209275.db2.gz OYMVLNHVUGYSAL-NSHDSACASA-N 1 0 308.338 1.819 20 5 DDBDRO C[C@]1([C@H]2CCC[N@H+](Cc3cccnc3[N+](=O)[O-])C2)COC(=O)N1 ZINC000932016808 714235871 /nfs/dbraw/zinc/23/58/71/714235871.db2.gz PLDAUXNTJOCUFG-SWLSCSKDSA-N 1 0 320.349 1.700 20 5 DDBDRO CCC1(CC)CNC(=O)[C@@H]1[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000933289049 714554983 /nfs/dbraw/zinc/55/49/83/714554983.db2.gz IWKNGFTZOGZVCE-AWEZNQCLSA-N 1 0 321.377 1.998 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)C[C@@H]1CCC(=O)N1 ZINC000924956015 714707858 /nfs/dbraw/zinc/70/78/58/714707858.db2.gz WWTUFWRQZMCUEO-JQWIXIFHSA-N 1 0 307.350 1.750 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1CN1CCN(C)CC[N@H+](C)CC1 ZINC000933991422 714716446 /nfs/dbraw/zinc/71/64/46/714716446.db2.gz DJBDZFVBRUJBOP-UHFFFAOYSA-N 1 0 322.409 1.283 20 5 DDBDRO COc1ccc(CN2CCN(C)CC[N@H+](C)CC2)cc1[N+](=O)[O-] ZINC000933998608 714719408 /nfs/dbraw/zinc/71/94/08/714719408.db2.gz LIMDIPCSNNSVGS-UHFFFAOYSA-N 1 0 322.409 1.283 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+](Cc2ccoc2)C2CC2)c1 ZINC000934003574 714720390 /nfs/dbraw/zinc/72/03/90/714720390.db2.gz ATOMTWBNGFQMHM-CQSZACIVSA-N 1 0 306.322 1.410 20 5 DDBDRO C/C(=C/C(=O)NCC[N@H+](C)CCO)c1ccc([N+](=O)[O-])cc1 ZINC000924997444 714720894 /nfs/dbraw/zinc/72/08/94/714720894.db2.gz HNMSCKKMOPZTJK-QXMHVHEDSA-N 1 0 307.350 1.038 20 5 DDBDRO C[C@H](c1ccc([N+](=O)[O-])cc1)N1C(=O)N[C@@H](C[NH+](C)C)C1=O ZINC000925198597 714773679 /nfs/dbraw/zinc/77/36/79/714773679.db2.gz VTEBIXBOFNECRJ-SKDRFNHKSA-N 1 0 306.322 1.138 20 5 DDBDRO CC[N@@H+]1C[C@H](C)N(C(=O)Cn2c(C)ncc2[N+](=O)[O-])C[C@H]1C ZINC000935169259 714994038 /nfs/dbraw/zinc/99/40/38/714994038.db2.gz YWZQJRPKMBNCBK-MNOVXSKESA-N 1 0 309.370 1.041 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000935978265 715141264 /nfs/dbraw/zinc/14/12/64/715141264.db2.gz VZNJIIHDOOQQRN-AAEUAGOBSA-N 1 0 321.381 1.185 20 5 DDBDRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1cc([N+](=O)[O-])ccn1 ZINC001164923251 721848927 /nfs/dbraw/zinc/84/89/27/721848927.db2.gz UNHOKRDCMBXEFW-KBPBESRZSA-N 1 0 305.382 1.204 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])c(-n2cccc2C[NH3+])cc1OC ZINC001167592967 734782554 /nfs/dbraw/zinc/78/25/54/734782554.db2.gz GELRLFZTMJSDIS-UHFFFAOYSA-N 1 0 305.290 1.639 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H]2CCCC[C@H]2[NH+](C)C)n1 ZINC001125881138 737317810 /nfs/dbraw/zinc/31/78/10/737317810.db2.gz SVUFGBSPYUIVRK-GXTWGEPZSA-N 1 0 306.366 1.901 20 5 DDBDRO COC(=O)[C@@H](CCC[NH3+])Nc1ncc2cccc([N+](=O)[O-])c2n1 ZINC001167897031 739198867 /nfs/dbraw/zinc/19/88/67/739198867.db2.gz CFIOCRZXAOPZMB-SNVBAGLBSA-N 1 0 319.321 1.230 20 5 DDBDRO Cc1cc(N(C)CCN(C)C(=O)CC[NH+](C)C)ncc1[N+](=O)[O-] ZINC001105554377 742112894 /nfs/dbraw/zinc/11/28/94/742112894.db2.gz XKMXHJDTRNTEMR-UHFFFAOYSA-N 1 0 323.397 1.145 20 5 DDBDRO O=C(NC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1)C(F)F ZINC001002198431 742949635 /nfs/dbraw/zinc/94/96/35/742949635.db2.gz NKJPCMWWOBKEJL-UHFFFAOYSA-N 1 0 313.304 1.941 20 5 DDBDRO COc1c(O)ccc(C[NH2+]CC2CC3(C2)OCCO3)c1[N+](=O)[O-] ZINC001183712299 743891580 /nfs/dbraw/zinc/89/15/80/743891580.db2.gz ZUOGCDZSXVWJHS-UHFFFAOYSA-N 1 0 324.333 1.552 20 5 DDBDRO O=C(NC1C[NH+](CC2CCC3(CC3)CC2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001030293776 744025936 /nfs/dbraw/zinc/02/59/36/744025936.db2.gz RSPDJYDOKCLYTC-ZIAGYGMSSA-N 1 0 307.394 1.422 20 5 DDBDRO Cc1cc(C(=O)N2CCC[C@H]([NH+](C)C)C2)c(N)c([N+](=O)[O-])c1 ZINC000106363692 748676506 /nfs/dbraw/zinc/67/65/06/748676506.db2.gz UBJDOSZTDQFMRH-NSHDSACASA-N 1 0 306.366 1.652 20 5 DDBDRO O=C(CC1CCOCC1)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001125050122 748815474 /nfs/dbraw/zinc/81/54/74/748815474.db2.gz MLBGVUOLCCNSKZ-UHFFFAOYSA-N 1 0 321.377 1.617 20 5 DDBDRO CCOCC(=O)NCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001154337612 749725828 /nfs/dbraw/zinc/72/58/28/749725828.db2.gz ZOVJYZMPMIZGGR-UHFFFAOYSA-N 1 0 301.368 1.289 20 5 DDBDRO C[NH+](C)CCC(=O)NC/C=C/CNc1ncccc1[N+](=O)[O-] ZINC001107490290 750046604 /nfs/dbraw/zinc/04/66/04/750046604.db2.gz YLQIPISDTGDNEC-ONEGZZNKSA-N 1 0 307.354 1.026 20 5 DDBDRO CC(=O)Nc1ccc(-n2cc3c(n2)CC[C@H]([NH3+])C3)cc1[N+](=O)[O-] ZINC001168819856 762070098 /nfs/dbraw/zinc/07/00/98/762070098.db2.gz HBLNYNDNLBPCON-NSHDSACASA-N 1 0 315.333 1.555 20 5 DDBDRO NC1(c2cccnc2)CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168992058 762165700 /nfs/dbraw/zinc/16/57/00/762165700.db2.gz JFHAJNCAOBBSHF-HIFRSBDPSA-N 1 0 304.394 1.777 20 5 DDBDRO O=C1c2ccccc2[C@@H]2C[N@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CCN12 ZINC001169010277 762177938 /nfs/dbraw/zinc/17/79/38/762177938.db2.gz CCIKQPDPOMNBPE-ZENOOKHLSA-N 1 0 315.373 1.945 20 5 DDBDRO O=C(N1CCC[C@H]([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1)C(F)(F)F ZINC001168986896 762179675 /nfs/dbraw/zinc/17/96/75/762179675.db2.gz FYENBXLQQHWENO-AXFHLTTASA-N 1 0 323.315 1.575 20 5 DDBDRO O=C(NC1CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1)C1CCC1 ZINC001169027434 762184316 /nfs/dbraw/zinc/18/43/16/762184316.db2.gz PPBLHNBOEVNFLF-SWLSCSKDSA-N 1 0 309.410 1.813 20 5 DDBDRO Cc1cc(N2CC[NH+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)nc(C)n1 ZINC001169027852 762184627 /nfs/dbraw/zinc/18/46/27/762184627.db2.gz RDYVFLNCCWAYPI-GJZGRUSLSA-N 1 0 319.409 1.661 20 5 DDBDRO O=C1CCCCN1C1CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169035834 762191720 /nfs/dbraw/zinc/19/17/20/762191720.db2.gz DAACWINXBLKGEV-ZFWWWQNUSA-N 1 0 309.410 1.909 20 5 DDBDRO O=C1CCCCN1C1CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169035831 762191807 /nfs/dbraw/zinc/19/18/07/762191807.db2.gz DAACWINXBLKGEV-DZGCQCFKSA-N 1 0 309.410 1.909 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CC(N3CCC(F)(F)CC3)C2)C1 ZINC001169038039 762192712 /nfs/dbraw/zinc/19/27/12/762192712.db2.gz VGKKMPAOXQLRHC-VXGBXAGGSA-N 1 0 303.353 1.847 20 5 DDBDRO COc1ccc(N2CC[NH+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)nc1 ZINC001169057474 762210561 /nfs/dbraw/zinc/21/05/61/762210561.db2.gz VUCAIDMSGOIVMH-UONOGXRCSA-N 1 0 320.393 1.658 20 5 DDBDRO C[C@H]([NH3+])c1ccn(-c2nccc(Br)c2[N+](=O)[O-])n1 ZINC001169234374 762293415 /nfs/dbraw/zinc/29/34/15/762293415.db2.gz ICNLQWHUHMFKER-LURJTMIESA-N 1 0 312.127 1.958 20 5 DDBDRO O=[N+]([O-])c1c[nH]c2ncnc(NCC34CC[NH+](CC3)CC4)c12 ZINC001169794066 762676853 /nfs/dbraw/zinc/67/68/53/762676853.db2.gz FNWXDQHGNPTGSO-UHFFFAOYSA-N 1 0 302.338 1.764 20 5 DDBDRO O=[N+]([O-])c1cc(Cl)[n+]([O-])cc1NCC12CC[NH+](CC1)CC2 ZINC001169793317 762676857 /nfs/dbraw/zinc/67/68/57/762676857.db2.gz PRIAQGLATPDOFY-UHFFFAOYSA-N 1 0 312.757 1.779 20 5 DDBDRO C[NH+](C)CC(C)(C)CNc1ccc([N+](=O)[O-])c2c1CNC2=O ZINC001168768970 759167311 /nfs/dbraw/zinc/16/73/11/759167311.db2.gz IPTZPMNSKJQBKF-UHFFFAOYSA-N 1 0 306.366 1.838 20 5 DDBDRO Nc1c(C(=O)N2CC[C@H]([NH+]3CCC3)C2)cc(F)cc1[N+](=O)[O-] ZINC000826552408 759290349 /nfs/dbraw/zinc/29/03/49/759290349.db2.gz OJAONAHINTWMJS-JTQLQIEISA-N 1 0 308.313 1.236 20 5 DDBDRO O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000828147118 759505238 /nfs/dbraw/zinc/50/52/38/759505238.db2.gz RIBDKFDWBYFYBW-SNVBAGLBSA-N 1 0 319.317 1.244 20 5 DDBDRO COCC(C)(C)C(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001131321886 767989665 /nfs/dbraw/zinc/98/96/65/767989665.db2.gz PRLKMPXZUFNALX-UHFFFAOYSA-N 1 0 315.395 1.535 20 5 DDBDRO COc1ccc(C[C@H](C)[NH2+]C[C@H](C)CNC(C)=O)c([N+](=O)[O-])c1 ZINC001170316923 766247470 /nfs/dbraw/zinc/24/74/70/766247470.db2.gz AAOWNGLAJUWSFS-RYUDHWBXSA-N 1 0 323.393 1.896 20 5 DDBDRO Cc1ncc(C[NH+]2CCC(C)(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)o1 ZINC001045437429 766306182 /nfs/dbraw/zinc/30/61/82/766306182.db2.gz QXXVBVMTQYRLJX-CHWSQXEVSA-N 1 0 322.365 1.119 20 5 DDBDRO [NH3+]CCOCCOCCNc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC001170509140 767659015 /nfs/dbraw/zinc/65/90/15/767659015.db2.gz XHOQIGABAKEMLN-UHFFFAOYSA-N 1 0 324.381 1.272 20 5 DDBDRO Cc1nnccc1C(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001130867428 767778511 /nfs/dbraw/zinc/77/85/11/767778511.db2.gz DLUMDFJLPVQOPL-UHFFFAOYSA-N 1 0 315.333 1.213 20 5 DDBDRO CCC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3[N+](=O)[O-])C[C@@H]2C1 ZINC001048632668 769597183 /nfs/dbraw/zinc/59/71/83/769597183.db2.gz SFQOMSNOTFQSJE-OKILXGFUSA-N 1 0 303.362 1.895 20 5 DDBDRO O=[N+]([O-])c1ccc(C(F)(F)F)cc1N[C@H]1C[NH2+]C[C@H]1CO ZINC001170779244 771239394 /nfs/dbraw/zinc/23/93/94/771239394.db2.gz JLMPKFBBWWITID-XVKPBYJWSA-N 1 0 305.256 1.606 20 5 DDBDRO Cc1nc(N[C@@H]2CC[NH2+]C[C@@H]2C(F)(F)F)ncc1[N+](=O)[O-] ZINC001160745880 772704941 /nfs/dbraw/zinc/70/49/41/772704941.db2.gz ZVUFIVPBKWLESW-JGVFFNPUSA-N 1 0 305.260 1.646 20 5 DDBDRO COc1nc(-n2cc3ccc(C[NH3+])cc3n2)nc(C)c1[N+](=O)[O-] ZINC001171314717 773267207 /nfs/dbraw/zinc/26/72/07/773267207.db2.gz IDYYAWLTLFXYRD-UHFFFAOYSA-N 1 0 314.305 1.499 20 5 DDBDRO C[N@H+](CC(=O)NCCNc1cccc(F)c1[N+](=O)[O-])C1CCC1 ZINC001094221807 775543852 /nfs/dbraw/zinc/54/38/52/775543852.db2.gz RMKJDOXGUJZDIE-UHFFFAOYSA-N 1 0 324.356 1.746 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(N(C)CCNC(=O)C[NH+]2CCCC2)c1 ZINC001100115434 775700019 /nfs/dbraw/zinc/70/00/19/775700019.db2.gz PDXJSUCSCQESIP-UHFFFAOYSA-N 1 0 320.393 1.551 20 5 DDBDRO O=C1NCCC[C@@H]1[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172900298 776915119 /nfs/dbraw/zinc/91/51/19/776915119.db2.gz SBOGYEFFKLFWFD-ZFWWWQNUSA-N 1 0 303.362 1.710 20 5 DDBDRO CC[C@]([NH3+])(CO)N[C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173192858 777037540 /nfs/dbraw/zinc/03/75/40/777037540.db2.gz RPKAUCNWWRPPOZ-LKFCYVNXSA-N 1 0 315.345 1.320 20 5 DDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[NH+](CC(C)(C)O)CC1 ZINC001173236887 777074706 /nfs/dbraw/zinc/07/47/06/777074706.db2.gz FUFLNXKMVZZCPE-CQSZACIVSA-N 1 0 321.421 1.914 20 5 DDBDRO O=C([C@@H]1CCC[NH2+]CC1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001118272870 781081116 /nfs/dbraw/zinc/08/11/16/781081116.db2.gz LDDUCKIORUQGKK-CYBMUJFWSA-N 1 0 303.362 1.869 20 5 DDBDRO O=C([C@H](F)[C@@H]1CC[NH2+]C1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001119236797 781373905 /nfs/dbraw/zinc/37/39/05/781373905.db2.gz DEXPPEYOVARPBJ-BXUZGUMPSA-N 1 0 307.325 1.427 20 5 DDBDRO O=[N+]([O-])c1ccc(OCCn2cc(C[NH2+]CC3CC3)nn2)cc1 ZINC001119333436 781407605 /nfs/dbraw/zinc/40/76/05/781407605.db2.gz UHUICGRIWYRZHP-UHFFFAOYSA-N 1 0 317.349 1.765 20 5 DDBDRO Cc1nn(C)c(N2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)c1[N+](=O)[O-] ZINC001119983127 781708368 /nfs/dbraw/zinc/70/83/68/781708368.db2.gz PRQPDOYVZVWPMJ-AVGNSLFASA-N 1 0 307.398 1.803 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1nc(Cl)cc(Cl)n1 ZINC001227940009 844091093 /nfs/dbraw/zinc/09/10/93/844091093.db2.gz FSFRXHICTFLAGR-SSDOTTSWSA-N 1 0 309.173 1.146 20 5 DDBDRO CCC[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC1CC(F)(F)C1 ZINC001266560589 836470224 /nfs/dbraw/zinc/47/02/24/836470224.db2.gz SEPWDTQHMVUJMQ-VXGBXAGGSA-N 1 0 319.352 1.525 20 5 DDBDRO COCC[NH2+]CCNC(=O)c1cc([N+](=O)[O-])ccc1SC ZINC001353602670 839029329 /nfs/dbraw/zinc/02/93/29/839029329.db2.gz QRBLQWIUAZZBGZ-UHFFFAOYSA-N 1 0 313.379 1.283 20 5 DDBDRO COc1cc2ncnc(-n3cnc(C[NH3+])c3)c2cc1[N+](=O)[O-] ZINC001154906749 861560033 /nfs/dbraw/zinc/56/00/33/861560033.db2.gz NRFTZZPEYQJVIS-UHFFFAOYSA-N 1 0 300.278 1.191 20 5 DDBDRO CC(C)(C)OC(=O)N1CCCO[C@H](COCC[N+](C)(C)C)C1 ZINC001224774971 845684847 /nfs/dbraw/zinc/68/48/47/845684847.db2.gz HIXUTUAQDWAWMY-AWEZNQCLSA-N 1 0 317.450 1.735 20 5 DDBDRO C[NH+](C)C[C@@H]1COCCN1c1nccc(Cl)c1[N+](=O)[O-] ZINC001154962805 861604688 /nfs/dbraw/zinc/60/46/88/861604688.db2.gz WIEMWZASKBXYSP-SECBINFHSA-N 1 0 300.746 1.410 20 5 DDBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001150119812 862099308 /nfs/dbraw/zinc/09/93/08/862099308.db2.gz LJLLJXDRMCAQIV-LKFCYVNXSA-N 1 0 304.350 1.390 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(N[C@@H]2COCCC23C[NH2+]C3)nc1Cl ZINC001155462768 862113763 /nfs/dbraw/zinc/11/37/63/862113763.db2.gz URYIATJZJBIDRM-SNVBAGLBSA-N 1 0 312.757 1.742 20 5 DDBDRO O=C1C[C@@H]2[NH2+]CC[C@@]2(Nc2ncc([N+](=O)[O-])c3ccccc23)N1 ZINC001155573207 862243785 /nfs/dbraw/zinc/24/37/85/862243785.db2.gz YWWDNHOGVOSEFC-WFASDCNBSA-N 1 0 313.317 1.133 20 5 DDBDRO O=[N+]([O-])c1cc(Cl)cc(N(c2ncccn2)C2C[NH2+]C2)n1 ZINC001155870442 862525744 /nfs/dbraw/zinc/52/57/44/862525744.db2.gz WKSCTEQRRHWXEE-UHFFFAOYSA-N 1 0 306.713 1.543 20 5 DDBDRO COc1cc(C)nc(N2C[C@H]3C[C@@]3(C[NH+](C)C)C2)c1[N+](=O)[O-] ZINC001156386232 862996024 /nfs/dbraw/zinc/99/60/24/862996024.db2.gz XMERYGYLGWTCLA-IAQYHMDHSA-N 1 0 306.366 1.695 20 5 DDBDRO C[C@H]([NH3+])CONC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001122100576 858686507 /nfs/dbraw/zinc/68/65/07/858686507.db2.gz XICBPLADEWQQKL-LURJTMIESA-N 1 0 307.228 1.622 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001122216444 858716952 /nfs/dbraw/zinc/71/69/52/858716952.db2.gz QDXHNTGGOOQVJV-NWDGAFQWSA-N 1 0 318.377 1.342 20 5 DDBDRO Cc1c(CC(=O)NC2CC3(CC([NH3+])C3)C2)cccc1[N+](=O)[O-] ZINC001122522053 858865874 /nfs/dbraw/zinc/86/58/74/858865874.db2.gz IEVHFNOCTRRCPN-UHFFFAOYSA-N 1 0 303.362 1.832 20 5 DDBDRO CC(C)[N@@H+]1CCCN(c2nnc(C[N+](=O)[O-])n2CC2CC2)CC1 ZINC001123508018 859271516 /nfs/dbraw/zinc/27/15/16/859271516.db2.gz USKSLRQDRCYWOA-UHFFFAOYSA-N 1 0 322.413 1.385 20 5 DDBDRO COC[C@H](C)OC[C@H](C)OC[C@H](C)OCCC[N+](C)(C)C ZINC001224623022 881475386 /nfs/dbraw/zinc/47/53/86/881475386.db2.gz JYWWJPLIKUTYGO-JYJNAYRXSA-N 1 0 306.467 1.944 20 5 DDBDRO CC(C)(C)OC(=O)N1CC2(C1)C[C@H](OCC[N+](C)(C)C)CO2 ZINC001224772211 881529008 /nfs/dbraw/zinc/52/90/08/881529008.db2.gz WZWGDYOMOHDUHM-ZDUSSCGKSA-N 1 0 315.434 1.488 20 5 DDBDRO CC(C)[C@]1(CO)CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001325875294 860910515 /nfs/dbraw/zinc/91/05/15/860910515.db2.gz UILNHUPTGUHFSQ-HZPDHXFCSA-N 1 0 308.378 1.969 20 5 DDBDRO O=c1onc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCC[NH2+]C1 ZINC001326018525 861044716 /nfs/dbraw/zinc/04/47/16/861044716.db2.gz NTLYQZOTTBJRSE-JTQLQIEISA-N 1 0 304.306 1.411 20 5 DDBDRO [NH3+]CCc1ccn(-c2nc(Cl)cc(Cl)c2[N+](=O)[O-])n1 ZINC001156898151 863427972 /nfs/dbraw/zinc/42/79/72/863427972.db2.gz HABYMGXNUWBKAC-UHFFFAOYSA-N 1 0 302.121 1.984 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001157259095 863688626 /nfs/dbraw/zinc/68/86/26/863688626.db2.gz CQCIZUODGUGMID-ZWNOBZJWSA-N 1 0 320.349 1.307 20 5 DDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001329522553 863710257 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C[C@@H]1C[C@H](N(C)C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC001330570310 864458047 /nfs/dbraw/zinc/45/80/47/864458047.db2.gz AESZOOKKNROUAC-KYOSRNDESA-N 1 0 321.377 1.569 20 5 DDBDRO O=[N+]([O-])c1cnc(Cl)cc1NCc1ncn2c1C[NH2+]CCC2 ZINC001158355944 864598356 /nfs/dbraw/zinc/59/83/56/864598356.db2.gz IVKGQOCWSDVNEM-UHFFFAOYSA-N 1 0 322.756 1.945 20 5 DDBDRO O=[N+]([O-])c1ccccc1-c1ccc(N2CC[N@@H+]3CC[C@H]3C2)nn1 ZINC001158430068 864650670 /nfs/dbraw/zinc/65/06/70/864650670.db2.gz AUENFEDYXJOSCL-LBPRGKRZSA-N 1 0 311.345 1.946 20 5 DDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N1CC[NH2+]CCC12CCC2 ZINC001330941664 864722940 /nfs/dbraw/zinc/72/29/40/864722940.db2.gz NUBMMBIZDYXZEW-UHFFFAOYSA-N 1 0 303.362 1.882 20 5 DDBDRO CCN(C(=O)CSc1ccc([N+](=O)[O-])cc1)[C@H]1CC[NH2+]C1 ZINC001330985771 864755060 /nfs/dbraw/zinc/75/50/60/864755060.db2.gz VVKRMPAGQCLSNN-LBPRGKRZSA-N 1 0 309.391 1.897 20 5 DDBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CCC[C@@](C)(C[NH3+])C2)n1 ZINC001158684429 864813092 /nfs/dbraw/zinc/81/30/92/864813092.db2.gz OXKIVADBOSVACL-AWEZNQCLSA-N 1 0 322.369 1.217 20 5 DDBDRO C[C@@H]1[C@H](O)CCCN1Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC001331072756 864825599 /nfs/dbraw/zinc/82/55/99/864825599.db2.gz PZJBQKIVFNIOOA-BXUZGUMPSA-N 1 0 317.349 1.656 20 5 DDBDRO O=[N+]([O-])c1cccc(F)c1Cn1cc(C[NH2+]CC2CC2)nn1 ZINC001331227995 864954683 /nfs/dbraw/zinc/95/46/83/864954683.db2.gz OESTTZYOFBOJSY-UHFFFAOYSA-N 1 0 305.313 1.873 20 5 DDBDRO COc1cc(-n2nnc3ccc(C[NH3+])cc32)ncc1[N+](=O)[O-] ZINC001159025983 865052439 /nfs/dbraw/zinc/05/24/39/865052439.db2.gz CSTVNRXWWKDDME-UHFFFAOYSA-N 1 0 300.278 1.191 20 5 DDBDRO O=[N+]([O-])c1c(Cl)cc(Cl)nc1NC[C@H]1COCC[NH2+]1 ZINC001159042474 865065857 /nfs/dbraw/zinc/06/58/57/865065857.db2.gz GSEMPVQLJGGXED-LURJTMIESA-N 1 0 307.137 1.697 20 5 DDBDRO C[C@H](Nc1cc(/C=C/N(C)C)c([N+](=O)[O-])cn1)[C@@H]1C[NH2+]CCO1 ZINC001159499417 865355342 /nfs/dbraw/zinc/35/53/42/865355342.db2.gz PXUDDCGYDIRBIR-LNTXQQRLSA-N 1 0 321.381 1.311 20 5 DDBDRO CC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2NC)CC[C@@H]1[NH3+] ZINC001332211884 865668657 /nfs/dbraw/zinc/66/86/57/865668657.db2.gz UPJPIMWVPQRDRL-GWCFXTLKSA-N 1 0 306.366 1.836 20 5 DDBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1c2ccccc2OC[C@@H]1C[NH3+] ZINC001160199017 865724990 /nfs/dbraw/zinc/72/49/90/865724990.db2.gz IYSPKILCYGJETE-NSHDSACASA-N 1 0 316.317 1.394 20 5 DDBDRO Cc1ccccc1C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001277055341 881909972 /nfs/dbraw/zinc/90/99/72/881909972.db2.gz ODZGVMHYYHEKSE-ZIAGYGMSSA-N 1 0 303.362 1.399 20 5 DDBDRO CC(C)[C@@H](C(=O)OCc1cn(C)nc1[N+](=O)[O-])[NH+]1CCCC1 ZINC001333346702 866656596 /nfs/dbraw/zinc/65/65/96/866656596.db2.gz MGRYXXRLVMAXTR-LBPRGKRZSA-N 1 0 310.354 1.492 20 5 DDBDRO C[NH+]1CCN(c2ncnc3c(Cl)cc([N+](=O)[O-])cc32)CC1 ZINC001323542678 866676793 /nfs/dbraw/zinc/67/67/93/866676793.db2.gz JBAUGUHQMXFDDZ-UHFFFAOYSA-N 1 0 307.741 1.943 20 5 DDBDRO CCOc1nc(NCCN2CCC([NH3+])CC2)ccc1[N+](=O)[O-] ZINC001161870052 867052095 /nfs/dbraw/zinc/05/20/95/867052095.db2.gz DUYHJSWXNUQWSX-UHFFFAOYSA-N 1 0 309.370 1.224 20 5 DDBDRO COC(=O)c1ccc(C[NH3+])n1-c1cc([N+](=O)[O-])c2cc[nH]c2n1 ZINC001161939255 867119117 /nfs/dbraw/zinc/11/91/17/867119117.db2.gz GABJWNXGWVQFKU-UHFFFAOYSA-N 1 0 315.289 1.507 20 5 DDBDRO COc1c(C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC001321043544 867257777 /nfs/dbraw/zinc/25/77/77/867257777.db2.gz SSDMQDCDWKYZBJ-GFCCVEGCSA-N 1 0 319.361 1.914 20 5 DDBDRO O=[N+]([O-])c1ccc(-c2nc([C@H]3C[NH+]4CCC3CC4)no2)nc1 ZINC001321125410 867338754 /nfs/dbraw/zinc/33/87/54/867338754.db2.gz SQGMWNUDFMYGEN-NSHDSACASA-N 1 0 301.306 1.849 20 5 DDBDRO [NH3+]Cc1nc2cnccc2n1-c1nccc(Cl)c1[N+](=O)[O-] ZINC001162215020 867345361 /nfs/dbraw/zinc/34/53/61/867345361.db2.gz OOUFJPQHUDCWRM-UHFFFAOYSA-N 1 0 304.697 1.836 20 5 DDBDRO COC(=O)Cc1ccc(N[C@@H]2CCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC001162403129 867515413 /nfs/dbraw/zinc/51/54/13/867515413.db2.gz YFBUMZCNXJDCNF-NWDGAFQWSA-N 1 0 307.350 1.992 20 5 DDBDRO C[C@@H]1C[NH2+]CCC[C@@H]1CNc1ccc([N+](=O)[O-])c2c1CNC2=O ZINC001162469283 867556598 /nfs/dbraw/zinc/55/65/98/867556598.db2.gz AKPJXCLBINFKCB-GHMZBOCLSA-N 1 0 318.377 1.886 20 5 DDBDRO O=[N+]([O-])c1c(Cl)ncnc1NC[C@@]1(F)CCCC[NH2+]C1 ZINC001162572224 867650269 /nfs/dbraw/zinc/65/02/69/867650269.db2.gz BSLNMNYUMBSOLK-LLVKDONJSA-N 1 0 303.725 1.932 20 5 DDBDRO O=[N+]([O-])c1cc2cc[nH]c2c(N[C@H]2COCCC23C[NH2+]C3)c1 ZINC001163074754 868058619 /nfs/dbraw/zinc/05/86/19/868058619.db2.gz ZGFAQTYVZSLAKS-ZDUSSCGKSA-N 1 0 302.334 1.867 20 5 DDBDRO CCOc1cnc(NC[C@]23C[NH2+]C[C@H]2COC3)c([N+](=O)[O-])c1 ZINC001163154724 868167580 /nfs/dbraw/zinc/16/75/80/868167580.db2.gz WBJXBOOTNMOMTR-HZMBPMFUSA-N 1 0 308.338 1.036 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@H]2CN3CCC2CC3)c1 ZINC001335353034 868244747 /nfs/dbraw/zinc/24/47/47/868244747.db2.gz PMMLRLNAXMDBGN-ZBFHGGJFSA-N 1 0 321.377 1.018 20 5 DDBDRO Cc1c[n+]([O-])c(NC[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)cc1[N+](=O)[O-] ZINC001163268776 868286388 /nfs/dbraw/zinc/28/63/88/868286388.db2.gz FHUPAKIJLZDHDL-SWLSCSKDSA-N 1 0 322.365 1.107 20 5 DDBDRO COC[C@H]1C[NH2+]CCN1C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001336100821 868731750 /nfs/dbraw/zinc/73/17/50/868731750.db2.gz PWRKZWJGZMVKRD-SMDDNHRTSA-N 1 0 322.365 1.286 20 5 DDBDRO CCOC(=O)c1ccnc(N2C[C@H](C)CC[C@H]2C[NH3+])c1[N+](=O)[O-] ZINC001164076569 868926937 /nfs/dbraw/zinc/92/69/37/868926937.db2.gz FIEMTQDAXLJMNG-MNOVXSKESA-N 1 0 322.365 1.730 20 5 DDBDRO Cc1cncc([N+](=O)[O-])c1N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC001336836577 869174133 /nfs/dbraw/zinc/17/41/33/869174133.db2.gz IOTRVKKINRNRJA-AAEUAGOBSA-N 1 0 308.407 1.712 20 5 DDBDRO O=C(NCCC1(C[NH2+]Cc2cncs2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001164494232 869232706 /nfs/dbraw/zinc/23/27/06/869232706.db2.gz AJEFGVZRZVQSPN-VXGBXAGGSA-N 1 0 324.406 1.184 20 5 DDBDRO CC/C=C\CC[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001164494924 869233484 /nfs/dbraw/zinc/23/34/84/869233484.db2.gz YNNIGXHLCIXAQW-JHZNUDOXSA-N 1 0 309.410 1.884 20 5 DDBDRO COCCC[NH+]1CCN(c2ncc(OC)cc2[N+](=O)[O-])CC1 ZINC001165097232 869374965 /nfs/dbraw/zinc/37/49/65/869374965.db2.gz JUKWDEBJXRENRW-UHFFFAOYSA-N 1 0 310.354 1.157 20 5 DDBDRO Cn1cc(N2CC[C@@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3F)C2)cn1 ZINC001337382014 869460843 /nfs/dbraw/zinc/46/08/43/869460843.db2.gz RSLZKGISZPJMRV-GFCCVEGCSA-N 1 0 319.340 1.836 20 5 DDBDRO O=[N+]([O-])c1cc(N2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)nc2[nH]ccc21 ZINC001165291947 869500996 /nfs/dbraw/zinc/50/09/96/869500996.db2.gz HPHLSXKRWADDIQ-ZWNOBZJWSA-N 1 0 317.349 1.286 20 5 DDBDRO O=[N+]([O-])c1ccc(-c2ccc(N3CCC[C@H]4[NH2+]C[C@H]43)nn2)cc1 ZINC001165395243 869564536 /nfs/dbraw/zinc/56/45/36/869564536.db2.gz UJXIZZDFXBWLTH-HUUCEWRRSA-N 1 0 311.345 1.992 20 5 DDBDRO C[NH2+][C@@H]1CCN(C(=O)NC[C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC001338754172 870151019 /nfs/dbraw/zinc/15/10/19/870151019.db2.gz HTVXRLSHQJYTMX-VXGBXAGGSA-N 1 0 306.366 1.702 20 5 DDBDRO [NH3+][C@@H]1CCN(c2cnc3cc([N+](=O)[O-])ccc3n2)CC1(F)F ZINC001166961088 870424545 /nfs/dbraw/zinc/42/45/45/870424545.db2.gz MUXYDMTWABJSPY-LLVKDONJSA-N 1 0 309.276 1.711 20 5 DDBDRO COc1cc(C(=O)NC[C@H]2CCCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC001339266723 870430500 /nfs/dbraw/zinc/43/05/00/870430500.db2.gz VXWKGQCZUCTSJX-GFCCVEGCSA-N 1 0 307.350 1.818 20 5 DDBDRO CCC[NH+]1CCC(N(C)c2nnc([C@H](C)[N+](=O)[O-])n2CC)CC1 ZINC001339340794 870452381 /nfs/dbraw/zinc/45/23/81/870452381.db2.gz PJBYJRPGRAFCPZ-LBPRGKRZSA-N 1 0 324.429 1.946 20 5 DDBDRO Cc1[nH]c(C)c(Cn2nc(-c3ccc([N+](=O)[O-])cc3)oc2=O)[nH+]1 ZINC001307319287 871419491 /nfs/dbraw/zinc/41/94/91/871419491.db2.gz CMZGXTTWYZFFEQ-UHFFFAOYSA-N 1 0 315.289 1.800 20 5 DDBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@H]2CC[NH2+]C[C@H]2F)n1 ZINC001205219626 871436700 /nfs/dbraw/zinc/43/67/00/871436700.db2.gz SKJUGTHOYRSUQN-JGVFFNPUSA-N 1 0 311.248 1.594 20 5 DDBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]CCC3(O)CCOCC3)nc2c1 ZINC001308758397 871526563 /nfs/dbraw/zinc/52/65/63/871526563.db2.gz RQODCDZQEJJTEK-UHFFFAOYSA-N 1 0 321.333 1.757 20 5 DDBDRO Cc1cccc(C(=O)NCC[C@H]2CSCC[NH2+]2)c1[N+](=O)[O-] ZINC001341147539 871531407 /nfs/dbraw/zinc/53/14/07/871531407.db2.gz HTTIJYZEOSIHLH-NSHDSACASA-N 1 0 309.391 1.728 20 5 DDBDRO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001341277475 871587810 /nfs/dbraw/zinc/58/78/10/871587810.db2.gz NDJOYIJGSDROCO-VHSXEESVSA-N 1 0 309.753 1.930 20 5 DDBDRO O=C(N[C@@H]1COC2(C[NH2+]C2)C1)c1ccc([N+](=O)[O-])cc1Cl ZINC001342214867 872075087 /nfs/dbraw/zinc/07/50/87/872075087.db2.gz HOPGWRAGPXVJOQ-QMMMGPOBSA-N 1 0 311.725 1.109 20 5 DDBDRO COc1cccc(C[N@H+](C)CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC001316823114 872116989 /nfs/dbraw/zinc/11/69/89/872116989.db2.gz CNPVFBOWYNYNCZ-HUUCEWRRSA-N 1 0 321.377 1.299 20 5 DDBDRO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC001318507009 872120031 /nfs/dbraw/zinc/12/00/31/872120031.db2.gz KZVYGFQRCJWWLD-QWHCGFSZSA-N 1 0 309.370 1.170 20 5 DDBDRO O=C(NCc1ccccc1[N+](=O)[O-])[C@H]1C[NH2+]CCC12CCC2 ZINC001343146839 872518154 /nfs/dbraw/zinc/51/81/54/872518154.db2.gz CBGKRKRHXVANSM-CYBMUJFWSA-N 1 0 303.362 1.991 20 5 DDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC001344019077 872837193 /nfs/dbraw/zinc/83/71/93/872837193.db2.gz RQJUTHHKTJLXGJ-PHIMTYICSA-N 1 0 304.350 1.270 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCNCC[NH2+]CC1 ZINC001344973762 873204410 /nfs/dbraw/zinc/20/44/10/873204410.db2.gz JRLXAWRKQIVWNL-UHFFFAOYSA-N 1 0 320.393 1.155 20 5 DDBDRO O=C(CCc1cc(F)ccc1[N+](=O)[O-])N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001345502288 873425346 /nfs/dbraw/zinc/42/53/46/873425346.db2.gz PKRSLEHQHRHOSX-FRRDWIJNSA-N 1 0 307.325 1.676 20 5 DDBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001346388535 873727942 /nfs/dbraw/zinc/72/79/42/873727942.db2.gz APSRWNTUFQBOFH-ZWKOPEQDSA-N 1 0 324.768 1.940 20 5 DDBDRO Cc1nc(N2CCC[C@H]([NH2+]C3CCOCC3)C2)ncc1[N+](=O)[O-] ZINC001349773233 875361072 /nfs/dbraw/zinc/36/10/72/875361072.db2.gz ICPKNDKILHCWNC-ZDUSSCGKSA-N 1 0 321.381 1.431 20 5 DDBDRO Cc1ccc2cc(OC(=O)C[C@@H](O)C[N+](C)(C)C)ccc2n1 ZINC001227274952 882949572 /nfs/dbraw/zinc/94/95/72/882949572.db2.gz QXFQZWVZMUMGGL-CQSZACIVSA-N 1 0 303.382 1.906 20 5 DDBDRO C[C@H](c1nnc(N2CC[C@H](C[NH+]3CCCCC3)C2)n1C)[N+](=O)[O-] ZINC001350588379 875772548 /nfs/dbraw/zinc/77/25/48/875772548.db2.gz OCEAOPPPKFXSQC-CHWSQXEVSA-N 1 0 322.413 1.465 20 5 DDBDRO Cc1cncc([N+](=O)[O-])c1N1CCC([NH+]2CCN(C)CC2)CC1 ZINC001351794317 876436249 /nfs/dbraw/zinc/43/62/49/876436249.db2.gz MJVUHJWKMRCGBX-UHFFFAOYSA-N 1 0 319.409 1.514 20 5 DDBDRO C[C@H]([NH3+])C1(C(=O)N(C)Cc2ccccc2[N+](=O)[O-])CCOCC1 ZINC001353115362 877132678 /nfs/dbraw/zinc/13/26/78/877132678.db2.gz UOHAFZPSOZCBES-LBPRGKRZSA-N 1 0 321.377 1.697 20 5 DDBDRO COc1ccc(CC(=O)NC[C@H]2CCCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC001353895727 877635343 /nfs/dbraw/zinc/63/53/43/877635343.db2.gz WHGZUBQHMLMDGQ-CYBMUJFWSA-N 1 0 321.377 1.746 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]Cc2cc3n(n2)CCCC3)cc1 ZINC001356544444 879094378 /nfs/dbraw/zinc/09/43/78/879094378.db2.gz FLFJIXMWPGHQLL-MRXNPFEDSA-N 1 0 316.361 1.951 20 5 DDBDRO Cc1nc2ccccn2c(=O)c1CCO[C@@H](C)C[N+](C)(C)C ZINC001222103656 880255693 /nfs/dbraw/zinc/25/56/93/880255693.db2.gz MJVLFVLADYYDOP-ZDUSSCGKSA-N 1 0 304.414 1.657 20 5 DDBDRO CC[N@@H+]1CC[C@H](OCc2ccc([N+](=O)[O-])cc2C(=O)OC)C1 ZINC001223449767 880966979 /nfs/dbraw/zinc/96/69/79/880966979.db2.gz GTWKJWITLIWEKS-ZDUSSCGKSA-N 1 0 308.334 1.992 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1nccc(Cl)c1[N+](=O)[O-] ZINC001228013992 883287534 /nfs/dbraw/zinc/28/75/34/883287534.db2.gz CHONTEVVUHUSKO-MRVPVSSYSA-N 1 0 318.737 1.006 20 5 DDBDRO C[NH+]1CCC(Oc2[nH]c(=O)nc3cc([N+](=O)[O-])ccc32)CC1 ZINC001228240900 883402150 /nfs/dbraw/zinc/40/21/50/883402150.db2.gz XUJXRFOUIUNFLS-UHFFFAOYSA-N 1 0 304.306 1.717 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1nsc2cc(F)ccc21 ZINC001229044248 883789743 /nfs/dbraw/zinc/78/97/43/883789743.db2.gz MLEFXMWXLUAERM-SNVBAGLBSA-N 1 0 313.374 1.798 20 5 DDBDRO Cc1nc2ccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)cc2s1 ZINC001229314096 883915270 /nfs/dbraw/zinc/91/52/70/883915270.db2.gz ODCJHLINTMWGBP-LLVKDONJSA-N 1 0 309.411 1.967 20 5 DDBDRO Cc1cc(O)c(Cl)cc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001233592904 887137017 /nfs/dbraw/zinc/13/70/17/887137017.db2.gz RMKYEGZLRSJUBO-SNVBAGLBSA-O 1 0 302.778 1.717 20 5 DDBDRO C[C@@H]1CN(C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@H]1[NH3+] ZINC001246562396 892702084 /nfs/dbraw/zinc/70/20/84/892702084.db2.gz MIHSBMROIOUPIG-MLGOLLRUSA-N 1 0 304.394 1.843 20 5 DDBDRO CO[C@H]1C[NH2+]C[C@@H]1N(C)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001246986126 893057362 /nfs/dbraw/zinc/05/73/62/893057362.db2.gz CEKAICDRJYLUOE-XIRDDKMYSA-N 1 0 319.405 1.761 20 5 DDBDRO O=C(CCO)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254468271 896453517 /nfs/dbraw/zinc/45/35/17/896453517.db2.gz JBKRHXNAMNWNNR-UHFFFAOYSA-N 1 0 307.350 1.105 20 5 DDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])n1[nH]c(=O)c2c1CC[NH2+]C2 ZINC001254564417 896501570 /nfs/dbraw/zinc/50/15/70/896501570.db2.gz LVOBKOLJUSNCAY-JTQLQIEISA-N 1 0 302.334 1.946 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]CCCN1CCOCC1)C2 ZINC001254569515 896504439 /nfs/dbraw/zinc/50/44/39/896504439.db2.gz YYKXZEUDLDHZON-HNNXBMFYSA-N 1 0 305.378 1.374 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N1CC(N2CC[NH+](C)CC2)C1 ZINC001254571594 896508252 /nfs/dbraw/zinc/50/82/52/896508252.db2.gz YMOAWXIWSRBPPY-CQSZACIVSA-N 1 0 318.421 1.457 20 5 DDBDRO C[C@@H]1COCCN1CC[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254581195 896513101 /nfs/dbraw/zinc/51/31/01/896513101.db2.gz MCPRGADXODRKFU-IUODEOHRSA-N 1 0 305.378 1.372 20 5 DDBDRO COC(=O)c1ccc(C[NH3+])n1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254586263 896518454 /nfs/dbraw/zinc/51/84/54/896518454.db2.gz JIKZHFHNQLHFSZ-AWEZNQCLSA-N 1 0 315.329 1.982 20 5 DDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC001262009406 899896139 /nfs/dbraw/zinc/89/61/39/899896139.db2.gz VWJHJBHOCATQDV-ZDUSSCGKSA-N 1 0 304.350 1.651 20 5 DDBDRO C[N@@H+]1CCCC[C@@H]1CNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC001262652333 900287077 /nfs/dbraw/zinc/28/70/77/900287077.db2.gz CXAYTRVUFRXTPU-CYBMUJFWSA-N 1 0 320.393 1.997 20 5 DDBDRO O=C(CCc1cc(F)ccc1[N+](=O)[O-])N[C@H]1CC12CC[NH2+]CC2 ZINC001263108758 900502289 /nfs/dbraw/zinc/50/22/89/900502289.db2.gz GPMIYDXDCOIYFI-AWEZNQCLSA-N 1 0 321.352 1.925 20 5 DDBDRO [NH3+][C@H]1C[C@@H](NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC001263321426 900574428 /nfs/dbraw/zinc/57/44/28/900574428.db2.gz ICWVYIPXLGEWNV-DTORHVGOSA-N 1 0 314.139 1.577 20 5 DDBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2C[C@H](O)[C@@H](O)C2)o1 ZINC000278459044 214168250 /nfs/dbraw/zinc/16/82/50/214168250.db2.gz ZMZQFPLYUMHOJL-KBPBESRZSA-N 1 0 304.302 1.392 20 5 DDBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000278503520 214196367 /nfs/dbraw/zinc/19/63/67/214196367.db2.gz VVHBUINZYQHHKX-HNNXBMFYSA-N 1 0 303.362 1.880 20 5 DDBDRO COCC[N@H+](C)CCNc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000278524895 214211378 /nfs/dbraw/zinc/21/13/78/214211378.db2.gz ZITUTPAGKKLXPV-UHFFFAOYSA-N 1 0 322.287 1.999 20 5 DDBDRO COC[C@H](C)OC[C@H](O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000278513716 214203322 /nfs/dbraw/zinc/20/33/22/214203322.db2.gz FJLDQMLXMSZKAJ-GXTWGEPZSA-N 1 0 312.366 1.439 20 5 DDBDRO CN(CC(=O)NCC(C)(C)C[NH+](C)C)c1ccccc1[N+](=O)[O-] ZINC000079338225 185165550 /nfs/dbraw/zinc/16/55/50/185165550.db2.gz JQXFEQQCFDXZPO-UHFFFAOYSA-N 1 0 322.409 1.735 20 5 DDBDRO C[C@H](O)C[N@@H+]1CCN(CCOc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000249499775 282161352 /nfs/dbraw/zinc/16/13/52/282161352.db2.gz ICOIXYYZYNDWIM-KGLIPLIRSA-N 1 0 323.393 1.361 20 5 DDBDRO CC[C@@H]1[C@@H](CO)CC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000451263370 529481473 /nfs/dbraw/zinc/48/14/73/529481473.db2.gz YUTPSTXYJUQYIG-HZSPNIEDSA-N 1 0 324.377 1.427 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H](C)C[C@H](O)C1 ZINC000452072220 231291034 /nfs/dbraw/zinc/29/10/34/231291034.db2.gz WIVAFEZXICPFTG-FZMZJTMJSA-N 1 0 321.377 1.935 20 5 DDBDRO C[NH+](C)C[C@](C)(O)CNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000255380504 282253251 /nfs/dbraw/zinc/25/32/51/282253251.db2.gz UDIJOUIMVYSALH-WUKHSURWSA-N 1 0 307.350 1.037 20 5 DDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)CC[NH3+] ZINC000447244999 529730948 /nfs/dbraw/zinc/73/09/48/529730948.db2.gz DRYQXGROEISFRD-VIFPVBQESA-N 1 0 301.368 1.173 20 5 DDBDRO C[N@@H+]1CC[C@H](CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000331844452 529804432 /nfs/dbraw/zinc/80/44/32/529804432.db2.gz UCVZSXPOONHHRC-SNVBAGLBSA-N 1 0 302.334 1.758 20 5 DDBDRO CCc1ccc(C(=O)NC[C@@H]2C[N@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000266883388 282303485 /nfs/dbraw/zinc/30/34/85/282303485.db2.gz COYXFXMQPAGRHS-CQSZACIVSA-N 1 0 320.393 1.133 20 5 DDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CC[NH+](C(C)C)CC1 ZINC000301095314 529932707 /nfs/dbraw/zinc/93/27/07/529932707.db2.gz JJDODGCGGJHSTO-UHFFFAOYSA-N 1 0 306.366 1.485 20 5 DDBDRO C[NH2+]CCNC(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-] ZINC000417709847 529976467 /nfs/dbraw/zinc/97/64/67/529976467.db2.gz BFVOWEAZCCLPLS-UHFFFAOYSA-N 1 0 309.370 1.224 20 5 DDBDRO C[NH2+]C[C@H]1CCCN(C(=O)Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000422700201 530000560 /nfs/dbraw/zinc/00/05/60/530000560.db2.gz BRUVFVQRKMAVLQ-CYBMUJFWSA-N 1 0 305.378 1.904 20 5 DDBDRO C[NH2+][C@@H]1CCCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000193331173 290811965 /nfs/dbraw/zinc/81/19/65/290811965.db2.gz HGURZQGQDICLKQ-SECBINFHSA-N 1 0 317.342 1.106 20 5 DDBDRO O=C(/C=C/c1ccccc1[N+](=O)[O-])NCC[N@H+]1CC=CCC1 ZINC000279757547 215121181 /nfs/dbraw/zinc/12/11/81/215121181.db2.gz ACFCCODOJHHAJV-CMDGGOBGSA-N 1 0 301.346 1.986 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)NCC2([NH+](C)C)CCCC2)n1 ZINC000331223613 232820153 /nfs/dbraw/zinc/82/01/53/232820153.db2.gz ZGQPRQUDMAEDRN-UHFFFAOYSA-N 1 0 309.370 1.415 20 5 DDBDRO CC[C@]1([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCOC1 ZINC000616866079 362853961 /nfs/dbraw/zinc/85/39/61/362853961.db2.gz LTRDYARFJVQDRP-DOMZBBRYSA-N 1 0 310.350 1.493 20 5 DDBDRO CC[N@H+](CCNC(=O)CCOc1ccccc1[N+](=O)[O-])C1CC1 ZINC000171508888 186170219 /nfs/dbraw/zinc/17/02/19/186170219.db2.gz FVIUJPJQOPTEOL-UHFFFAOYSA-N 1 0 321.377 1.964 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]Cc2ccc(Cl)cc2)c1 ZINC000037883625 352297440 /nfs/dbraw/zinc/29/74/40/352297440.db2.gz RMRNTJYNADSOGY-ZDUSSCGKSA-N 1 0 310.741 1.595 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(CO)CC1 ZINC000052819997 352626371 /nfs/dbraw/zinc/62/63/71/352626371.db2.gz DNYWYINTZALJGL-UHFFFAOYSA-N 1 0 321.377 1.936 20 5 DDBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000065675191 352958136 /nfs/dbraw/zinc/95/81/36/352958136.db2.gz XOGZHPKFVRGPIG-NEPJUHHUSA-N 1 0 309.370 1.028 20 5 DDBDRO C[N@H+](CCNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000066924216 353026044 /nfs/dbraw/zinc/02/60/44/353026044.db2.gz HRNLPCIZNZDHCC-UHFFFAOYSA-N 1 0 303.322 1.295 20 5 DDBDRO CN(C(=O)CCNc1ccccc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000066608400 353007704 /nfs/dbraw/zinc/00/77/04/353007704.db2.gz BTNXEFJJLCJRNA-UHFFFAOYSA-N 1 0 320.393 1.949 20 5 DDBDRO C[C@@H](CNC(=O)CCn1cc([N+](=O)[O-])cn1)[N@@H+]1CCC[C@H](C)C1 ZINC000068118528 353090038 /nfs/dbraw/zinc/09/00/38/353090038.db2.gz HDUTYEPVCRTIJZ-STQMWFEESA-N 1 0 323.397 1.418 20 5 DDBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2c([N+](=O)[O-])c(C)nn2C)C1 ZINC000173591479 198230644 /nfs/dbraw/zinc/23/06/44/198230644.db2.gz DNHMGDNHRJXJGW-LBPRGKRZSA-N 1 0 323.397 1.441 20 5 DDBDRO O=C1C[C@]2(CN1)CCC[N@@H+](CCOc1ccccc1[N+](=O)[O-])C2 ZINC000072829607 353218214 /nfs/dbraw/zinc/21/82/14/353218214.db2.gz LPDRYUVCIAXNGD-INIZCTEOSA-N 1 0 319.361 1.576 20 5 DDBDRO C[NH+](C)[C@H](CNc1ncc([N+](=O)[O-])c(N)n1)c1ccccc1 ZINC000074237179 353301896 /nfs/dbraw/zinc/30/18/96/353301896.db2.gz GXODKEKQUJJFEO-LLVKDONJSA-N 1 0 302.338 1.682 20 5 DDBDRO Cc1cc(N2CCCN(CC[NH+](C)C)CC2)ncc1[N+](=O)[O-] ZINC000074747467 353328291 /nfs/dbraw/zinc/32/82/91/353328291.db2.gz MZFYZXZMYOAFFP-UHFFFAOYSA-N 1 0 307.398 1.372 20 5 DDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)Cc1cnccn1 ZINC000174644875 198364931 /nfs/dbraw/zinc/36/49/31/198364931.db2.gz VHFLPVMXSXXAFQ-LLVKDONJSA-N 1 0 315.333 1.844 20 5 DDBDRO C[C@H]1C[C@H](C)C[NH+](CCCNc2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000076800573 353439358 /nfs/dbraw/zinc/43/93/58/353439358.db2.gz POHPUKSGYRAKNO-QWRGUYRKSA-N 1 0 308.386 1.747 20 5 DDBDRO C[NH+](C)[C@H](CNc1ncc([N+](=O)[O-])c(N)n1)c1ccc(F)cc1 ZINC000076871431 353441928 /nfs/dbraw/zinc/44/19/28/353441928.db2.gz RYXNXXOMUUEDLG-LLVKDONJSA-N 1 0 320.328 1.821 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H](c2ccccc2)C2CC2)c1 ZINC000174705299 198373566 /nfs/dbraw/zinc/37/35/66/198373566.db2.gz LWZKXONHALUXAX-HZPDHXFCSA-N 1 0 316.361 1.893 20 5 DDBDRO COCc1cc([N+](=O)[O-])ccc1NC[C@@H](C)N1CC[NH+](C)CC1 ZINC000080611189 353617996 /nfs/dbraw/zinc/61/79/96/353617996.db2.gz IKWGTFMBAMGEAI-CYBMUJFWSA-N 1 0 322.409 1.789 20 5 DDBDRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)[C@H]2C[C@@H]2[N+](=O)[O-])CC1 ZINC000084259674 353719249 /nfs/dbraw/zinc/71/92/49/353719249.db2.gz CBXNSHIHRSKCQV-HOTGVXAUSA-N 1 0 317.389 1.775 20 5 DDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000108299431 353949642 /nfs/dbraw/zinc/94/96/42/353949642.db2.gz IZGNSAOMMZAHLV-CQSZACIVSA-N 1 0 303.362 1.738 20 5 DDBDRO Cc1c(Cl)cc(S(=O)(=O)NC[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000104221557 353931648 /nfs/dbraw/zinc/93/16/48/353931648.db2.gz HWHXMUNHDIQTLO-LURJTMIESA-N 1 0 307.759 1.182 20 5 DDBDRO C[NH+](C)CCn1cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC000120237929 354009863 /nfs/dbraw/zinc/00/98/63/354009863.db2.gz JXIRQKSBUBOUOJ-UHFFFAOYSA-N 1 0 317.349 1.534 20 5 DDBDRO Cc1cc(C(=O)Nc2cnn(CC[NH+](C)C)c2)cc([N+](=O)[O-])c1 ZINC000130206638 354090645 /nfs/dbraw/zinc/09/06/45/354090645.db2.gz IICNBFSOQTWVET-UHFFFAOYSA-N 1 0 317.349 1.914 20 5 DDBDRO C[C@H](C[NH3+])CNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000357231333 291023522 /nfs/dbraw/zinc/02/35/22/291023522.db2.gz ZCWFWVDEJLEHGG-SNVBAGLBSA-N 1 0 303.322 1.105 20 5 DDBDRO C[C@@H](c1ccccc1)[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)C(N)=O ZINC000292212654 222913453 /nfs/dbraw/zinc/91/34/53/222913453.db2.gz ONGKGDPNQNNWBJ-SMDDNHRTSA-N 1 0 317.349 1.039 20 5 DDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@H]([NH3+])C[C@H]1C ZINC000228341948 354322600 /nfs/dbraw/zinc/32/26/00/354322600.db2.gz MULUILSPZGJALJ-KOLCDFICSA-N 1 0 313.379 1.404 20 5 DDBDRO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C[C@@H](O)C1CC1 ZINC000305690722 354470659 /nfs/dbraw/zinc/47/06/59/354470659.db2.gz BBWCUSVSXPPPPV-CQSZACIVSA-N 1 0 307.350 1.626 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@H]2Cc3ccccc32)c1 ZINC000317772841 354512811 /nfs/dbraw/zinc/51/28/11/354512811.db2.gz WFWNJNVZYAADTG-TZMCWYRMSA-N 1 0 302.334 1.082 20 5 DDBDRO C[C@@H](CNc1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C)[NH+](C)C ZINC000587519531 354883200 /nfs/dbraw/zinc/88/32/00/354883200.db2.gz GRUNWJAQRDBWDI-VIFPVBQESA-N 1 0 307.354 1.147 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@@]3(CCOC3)C2)c1 ZINC000589503314 354998001 /nfs/dbraw/zinc/99/80/01/354998001.db2.gz RFSQEXSHCSMIDI-MRXNPFEDSA-N 1 0 320.345 1.994 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC000590010375 355039024 /nfs/dbraw/zinc/03/90/24/355039024.db2.gz CIDCVFWUCWCRRI-WFASDCNBSA-N 1 0 318.377 1.478 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@@H]2C[N@@H+](C)C[C@H]21 ZINC000590010692 355040558 /nfs/dbraw/zinc/04/05/58/355040558.db2.gz OTTZBKPGGDFLLC-TZMCWYRMSA-N 1 0 318.377 1.478 20 5 DDBDRO COc1cc(CN2CC[C@@H]3C[N@H+](C)C[C@@H]32)c([N+](=O)[O-])cc1F ZINC000590011040 355040837 /nfs/dbraw/zinc/04/08/37/355040837.db2.gz GHOUWWSSBDIVIL-YGRLFVJLSA-N 1 0 309.341 1.878 20 5 DDBDRO C[C@@H]1COCC[N@@H+]1C1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000590554879 355112755 /nfs/dbraw/zinc/11/27/55/355112755.db2.gz IZTLJYMCJUYPDG-LLVKDONJSA-N 1 0 323.349 1.513 20 5 DDBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000590566435 355114946 /nfs/dbraw/zinc/11/49/46/355114946.db2.gz IKSCRGYKJZFMSZ-DGCLKSJQSA-N 1 0 306.366 1.558 20 5 DDBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000590566933 355115067 /nfs/dbraw/zinc/11/50/67/355115067.db2.gz SVJYMRHYZUMJDY-RNCFNFMXSA-N 1 0 317.349 1.636 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H]3COC[C@@H]32)c1 ZINC000590972411 355227272 /nfs/dbraw/zinc/22/72/72/355227272.db2.gz QUANIECLBTVHRC-INWMFGNUSA-N 1 0 322.361 1.445 20 5 DDBDRO CC[C@@H]1CN(C(=O)c2cccc(OC)c2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000592331321 355561221 /nfs/dbraw/zinc/56/12/21/355561221.db2.gz IEXYUHHPMWAAQH-ZYHUDNBSSA-N 1 0 307.350 1.803 20 5 DDBDRO CC(C)[C@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000592241758 355546154 /nfs/dbraw/zinc/54/61/54/355546154.db2.gz HBMRVVJHLNEOCA-OAHLLOKOSA-N 1 0 305.378 1.984 20 5 DDBDRO CNc1ccc(C(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000592298373 355554119 /nfs/dbraw/zinc/55/41/19/355554119.db2.gz JCWULDWPXYMUAA-QMTHXVAHSA-N 1 0 306.366 1.836 20 5 DDBDRO COc1cc(C(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)cc([N+](=O)[O-])c1C ZINC000592310156 355557262 /nfs/dbraw/zinc/55/72/62/355557262.db2.gz WHUQIZKZFHGGEZ-YGRLFVJLSA-N 1 0 323.349 1.100 20 5 DDBDRO C[C@]1([NH3+])CCCC[C@H]1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000592136566 355509871 /nfs/dbraw/zinc/50/98/71/355509871.db2.gz RKUBFJXTDAECNB-HOCLYGCPSA-N 1 0 321.377 1.997 20 5 DDBDRO C[C@@]1(C[NH3+])CCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000592432680 355582189 /nfs/dbraw/zinc/58/21/89/355582189.db2.gz LHMBCPQMOYXWDC-HNNXBMFYSA-N 1 0 307.350 1.537 20 5 DDBDRO C[N@@H+]1CC[C@H](Cn2c(=O)onc2-c2cccc([N+](=O)[O-])c2)C1 ZINC000592349566 355564159 /nfs/dbraw/zinc/56/41/59/355564159.db2.gz GKUGKDQXDGANSV-JTQLQIEISA-N 1 0 304.306 1.363 20 5 DDBDRO Cc1c(Cl)cc(S(=O)(=O)N[C@H]2C[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000592382307 355571159 /nfs/dbraw/zinc/57/11/59/355571159.db2.gz LLXSAJNWXJKPLU-OCAPTIKFSA-N 1 0 319.770 1.325 20 5 DDBDRO O=C(Cn1ccc([N+](=O)[O-])n1)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592554748 355627323 /nfs/dbraw/zinc/62/73/23/355627323.db2.gz ONZWWINAKOUYRW-CHWSQXEVSA-N 1 0 321.381 1.030 20 5 DDBDRO O=C(COc1cccc([N+](=O)[O-])c1)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000592568323 355631886 /nfs/dbraw/zinc/63/18/86/355631886.db2.gz MRKOULNMGRAEQE-LBPRGKRZSA-N 1 0 319.361 1.765 20 5 DDBDRO CC[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000593071882 355787356 /nfs/dbraw/zinc/78/73/56/355787356.db2.gz VMYXVCQUPFIUKS-KBPBESRZSA-N 1 0 324.377 1.835 20 5 DDBDRO C[C@H](CO)C1CC[NH+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000593085703 355790178 /nfs/dbraw/zinc/79/01/78/355790178.db2.gz VNUDYQBQMAXBSM-LLVKDONJSA-N 1 0 321.377 1.534 20 5 DDBDRO COc1ccc(CNC(=O)[C@@H]2CC[C@@H](C3CC3)[NH2+]2)cc1[N+](=O)[O-] ZINC000593903790 356050727 /nfs/dbraw/zinc/05/07/27/356050727.db2.gz NUKGNLIFXSCHSN-STQMWFEESA-N 1 0 319.361 1.750 20 5 DDBDRO COc1ccc(CC(=O)N[C@H](C[NH3+])C(F)(F)F)cc1[N+](=O)[O-] ZINC000594450706 356221969 /nfs/dbraw/zinc/22/19/69/356221969.db2.gz SFNJHLWJUSAJKM-SNVBAGLBSA-N 1 0 321.255 1.152 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[C@@H](C)[NH+](C)C ZINC000594816233 356326282 /nfs/dbraw/zinc/32/62/82/356326282.db2.gz FRIDNIHKJYYTJN-LLVKDONJSA-N 1 0 315.395 1.522 20 5 DDBDRO C[C@H]1CC(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H](C)C1 ZINC000594716225 356294744 /nfs/dbraw/zinc/29/47/44/356294744.db2.gz MLMJGFWHHIAGSK-JMSVASOKSA-N 1 0 310.398 1.814 20 5 DDBDRO C[C@]1(CC[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1(F)F ZINC000594733559 356300745 /nfs/dbraw/zinc/30/07/45/356300745.db2.gz YGXNAQLYESAEGO-MNOVXSKESA-N 1 0 304.297 1.177 20 5 DDBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]C[C@@H](CO)CC1CC1)OCCO2 ZINC000594982372 356367710 /nfs/dbraw/zinc/36/77/10/356367710.db2.gz DBGBFSLAAMLZIK-LBPRGKRZSA-N 1 0 322.361 1.864 20 5 DDBDRO Cc1c([C@H](C)[NH2+]C[C@@]2(OCCO)CCOC2)cccc1[N+](=O)[O-] ZINC000595077621 356379080 /nfs/dbraw/zinc/37/90/80/356379080.db2.gz KNHASIAKATZHRR-BBRMVZONSA-N 1 0 324.377 1.722 20 5 DDBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC(=O)N2)cc1[N+](=O)[O-] ZINC000595089308 356381287 /nfs/dbraw/zinc/38/12/87/356381287.db2.gz HFPLUGGPRIUPHT-PWSUYJOCSA-N 1 0 307.350 1.923 20 5 DDBDRO Cc1cc(C)c(S(=O)(=O)N(C)CC(C)(C)[NH3+])cc1[N+](=O)[O-] ZINC000595115253 356384710 /nfs/dbraw/zinc/38/47/10/356384710.db2.gz CZOKHVFUPOFGMK-UHFFFAOYSA-N 1 0 315.395 1.569 20 5 DDBDRO Cn1cc([N+](=O)[O-])c(C(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)n1 ZINC000595225797 356411387 /nfs/dbraw/zinc/41/13/87/356411387.db2.gz OQVZNPZBNYCNRW-NEPJUHHUSA-N 1 0 321.381 1.323 20 5 DDBDRO O=C(c1ccc([N+](=O)[O-])cn1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000595222507 356411408 /nfs/dbraw/zinc/41/14/08/356411408.db2.gz KQQPWISMZOTMBY-ZDUSSCGKSA-N 1 0 318.377 1.842 20 5 DDBDRO C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cn2C)[C@@H]1CCC[NH3+] ZINC000595257871 356422992 /nfs/dbraw/zinc/42/29/92/356422992.db2.gz ADNGDBYWPRNEGN-DGCLKSJQSA-N 1 0 308.382 1.913 20 5 DDBDRO Cc1noc(CN2CC[C@@H](C[NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000595326048 356449850 /nfs/dbraw/zinc/44/98/50/356449850.db2.gz ILYSOYQCKQPKEW-LBPRGKRZSA-N 1 0 310.354 1.045 20 5 DDBDRO CC[N@@H+]1CCCN(CCn2cc([N+](=O)[O-])ccc2=O)[C@H](C)C1 ZINC000595535541 356538219 /nfs/dbraw/zinc/53/82/19/356538219.db2.gz HBYFIXNVSDTIEY-CYBMUJFWSA-N 1 0 308.382 1.173 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCC(C3CCC3)CC2)c1 ZINC000595658123 356594882 /nfs/dbraw/zinc/59/48/82/356594882.db2.gz FTLQRWBDCWSVDZ-OAHLLOKOSA-N 1 0 308.382 1.664 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H]2C[C@H](O)C23CCC3)c1 ZINC000595776982 356648820 /nfs/dbraw/zinc/64/88/20/356648820.db2.gz DRVOQMMOWITZCJ-YUELXQCFSA-N 1 0 322.361 1.228 20 5 DDBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000595920553 356705147 /nfs/dbraw/zinc/70/51/47/356705147.db2.gz USQVZLMSRSLHRM-NSHDSACASA-N 1 0 315.333 1.325 20 5 DDBDRO C[C@]1(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC[NH2+]C1 ZINC000595993106 356739414 /nfs/dbraw/zinc/73/94/14/356739414.db2.gz VRNLSHCAQDBDGD-HNNXBMFYSA-N 1 0 315.333 1.262 20 5 DDBDRO C[C@@H]([NH3+])[C@H](C)Nc1ccc([N+](=O)[O-])c(N2CCOCC2)c1F ZINC000596014853 356746718 /nfs/dbraw/zinc/74/67/18/356746718.db2.gz UMDNNMHPDDLOBF-ZJUUUORDSA-N 1 0 312.345 1.718 20 5 DDBDRO COC(=O)[C@H]1C[C@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000596067692 356760469 /nfs/dbraw/zinc/76/04/69/356760469.db2.gz QHNSZCKYGFELJC-XYPYZODXSA-N 1 0 321.333 1.465 20 5 DDBDRO COc1cc(NCCC[NH+]2CCC(O)CC2)ccc1[N+](=O)[O-] ZINC000596084979 356766822 /nfs/dbraw/zinc/76/68/22/356766822.db2.gz FLXMBWMAHKCGJA-UHFFFAOYSA-N 1 0 309.366 1.862 20 5 DDBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CCOCCF)n1 ZINC000596093456 356769690 /nfs/dbraw/zinc/76/96/90/356769690.db2.gz FCVHKUSAYBKTHY-NEPJUHHUSA-N 1 0 300.334 1.851 20 5 DDBDRO C[NH2+]C[C@@H](C)C(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-] ZINC000237192452 202183594 /nfs/dbraw/zinc/18/35/94/202183594.db2.gz FKBNDBZCJZFZLU-GFCCVEGCSA-N 1 0 308.382 1.677 20 5 DDBDRO CC[N@@H+]1C[C@@H](C)N(c2ccc([N+](=O)[O-])c(C(N)=O)c2)C[C@H]1C ZINC000596176406 356803024 /nfs/dbraw/zinc/80/30/24/356803024.db2.gz FVCYCRMVWFQOGI-GHMZBOCLSA-N 1 0 306.366 1.613 20 5 DDBDRO COC(=O)c1c(Cl)c(N2CC([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000596178484 356803633 /nfs/dbraw/zinc/80/36/33/356803633.db2.gz JGMYDVPQZMKNLU-UHFFFAOYSA-N 1 0 313.741 1.785 20 5 DDBDRO CC[C@H]1C[N@H+](CC)CCN1c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596257506 356835023 /nfs/dbraw/zinc/83/50/23/356835023.db2.gz PCUWOVRNECHJDS-NSHDSACASA-N 1 0 306.366 1.614 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC(C[NH+](C)C)C1 ZINC000596246883 356830964 /nfs/dbraw/zinc/83/09/64/356830964.db2.gz JNSDPAVHQQKWBK-UHFFFAOYSA-N 1 0 307.350 1.688 20 5 DDBDRO O=C(NC[C@H]1CCC[N@H+](CC2CC2)C1)c1cc([N+](=O)[O-])c[nH]1 ZINC000596499064 356898198 /nfs/dbraw/zinc/89/81/98/356898198.db2.gz MDFIEPGTTUEJLM-GFCCVEGCSA-N 1 0 306.366 1.775 20 5 DDBDRO Cc1c([C@@H](C)NCc2nc(C[NH3+])cc(=O)[nH]2)cccc1[N+](=O)[O-] ZINC000596652778 356942538 /nfs/dbraw/zinc/94/25/38/356942538.db2.gz HJGWGGDLYPUSFM-SNVBAGLBSA-N 1 0 317.349 1.708 20 5 DDBDRO C[NH+](C)C1(C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000596812955 356982927 /nfs/dbraw/zinc/98/29/27/356982927.db2.gz LAULZJQGGYVVRU-UHFFFAOYSA-N 1 0 318.377 1.338 20 5 DDBDRO COc1cc(C(=O)NCC2=CC[N@H+](C)CC2)cc([N+](=O)[O-])c1C ZINC000276883442 213154146 /nfs/dbraw/zinc/15/41/46/213154146.db2.gz SNWYRSFXPSTEKU-UHFFFAOYSA-N 1 0 319.361 1.904 20 5 DDBDRO CCOc1cc(C[NH+]2CCC(C(N)=O)CC2)ccc1[N+](=O)[O-] ZINC000276853147 213135505 /nfs/dbraw/zinc/13/55/05/213135505.db2.gz DXWDNCIWELIPRN-UHFFFAOYSA-N 1 0 307.350 1.691 20 5 DDBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000597700543 357290982 /nfs/dbraw/zinc/29/09/82/357290982.db2.gz NFRFUITUFPBINS-OLZOCXBDSA-N 1 0 321.377 1.915 20 5 DDBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000597699617 357291009 /nfs/dbraw/zinc/29/10/09/357291009.db2.gz KSHCYEWSKXOUGT-MFKMUULPSA-N 1 0 309.341 1.827 20 5 DDBDRO CCN(C(=O)COc1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@H+](C)C1 ZINC000597944462 357394249 /nfs/dbraw/zinc/39/42/49/357394249.db2.gz CYTDSSJHSUHBJI-ZDUSSCGKSA-N 1 0 307.350 1.526 20 5 DDBDRO COC(=O)c1ccnc(N[C@H]2CCc3nc[nH]c3C2)c1[N+](=O)[O-] ZINC000598626351 357660059 /nfs/dbraw/zinc/66/00/59/357660059.db2.gz AYLBBXZCFJNSEZ-QMMMGPOBSA-N 1 0 317.305 1.469 20 5 DDBDRO Cc1nn(CCC(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)c(C)c1[N+](=O)[O-] ZINC000598669967 357679124 /nfs/dbraw/zinc/67/91/24/357679124.db2.gz ONFZOECPBQTNRK-SWLSCSKDSA-N 1 0 321.381 1.138 20 5 DDBDRO [NH3+][C@]12CCC[C@H]1CN(C(=O)COc1cccc([N+](=O)[O-])c1)C2 ZINC000598669985 357679197 /nfs/dbraw/zinc/67/91/97/357679197.db2.gz PDYGIIXMCYOUTQ-NHYWBVRUSA-N 1 0 305.334 1.313 20 5 DDBDRO O=C(CC[C@@H]1CCC[NH2+]C1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000598663897 357676182 /nfs/dbraw/zinc/67/61/82/357676182.db2.gz BJMVFHXHVYEPEN-LBPRGKRZSA-N 1 0 318.377 1.654 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000598680468 357685082 /nfs/dbraw/zinc/68/50/82/357685082.db2.gz CBEGGWVPNGMCKK-LRDDRELGSA-N 1 0 318.377 1.655 20 5 DDBDRO CN(C(=O)CN1C[C@H]2CCC[C@]2([NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC000598684991 357685878 /nfs/dbraw/zinc/68/58/78/357685878.db2.gz ZQAZQRSDGAIEPW-WBMJQRKESA-N 1 0 318.377 1.371 20 5 DDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000598684992 357686528 /nfs/dbraw/zinc/68/65/28/357686528.db2.gz ZREDWWUXSYRSDR-BFQNTYOBSA-N 1 0 318.377 1.735 20 5 DDBDRO CC[C@H]([NH3+])CNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C ZINC000598714701 357700918 /nfs/dbraw/zinc/70/09/18/357700918.db2.gz IWQJAQVBYQIIOP-JTQLQIEISA-N 1 0 301.368 1.227 20 5 DDBDRO CC[NH2+][C@H](C)CNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C ZINC000598714678 357701105 /nfs/dbraw/zinc/70/11/05/357701105.db2.gz ICAATMKHNXWOQY-SNVBAGLBSA-N 1 0 315.395 1.488 20 5 DDBDRO Cc1cc(OCC(=O)NCC(C)(C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000280503483 215675816 /nfs/dbraw/zinc/67/58/16/215675816.db2.gz JFJMYXSQZLJCTE-UHFFFAOYSA-N 1 0 323.393 1.986 20 5 DDBDRO COCCOC1CN(c2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000599062864 357805605 /nfs/dbraw/zinc/80/56/05/357805605.db2.gz WBSWYYHIQQRHOX-UHFFFAOYSA-N 1 0 303.318 1.995 20 5 DDBDRO CN(C)C(=O)NCCN(C)c1ccc2cnccc2c1[N+](=O)[O-] ZINC000599063291 357805831 /nfs/dbraw/zinc/80/58/31/357805831.db2.gz BFQNIYIDUURFIG-UHFFFAOYSA-N 1 0 317.349 1.850 20 5 DDBDRO Cc1nn(C)c(N2CCC(C)([NH+]3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000599161017 357833348 /nfs/dbraw/zinc/83/33/48/357833348.db2.gz UEOBEGUNDHQQFS-UHFFFAOYSA-N 1 0 323.397 1.328 20 5 DDBDRO O=C(c1n[nH]cc1[N+](=O)[O-])N1CCC[N@@H+](C2CCCC2)CC1 ZINC000179397625 199027829 /nfs/dbraw/zinc/02/78/29/199027829.db2.gz AYUQMGYPONJATK-UHFFFAOYSA-N 1 0 307.354 1.408 20 5 DDBDRO COC(=O)[C@@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)[C@@H]2CCC[C@@H]21 ZINC000599661222 358013553 /nfs/dbraw/zinc/01/35/53/358013553.db2.gz TVCUSCRLCKCBBO-JHJVBQTASA-N 1 0 322.365 1.455 20 5 DDBDRO Cc1ccc(NC(=O)NCC[N@@H+]2CC[C@H](O)C2)cc1[N+](=O)[O-] ZINC000599695556 358029974 /nfs/dbraw/zinc/02/99/74/358029974.db2.gz MWHITPZXABXGOX-LBPRGKRZSA-N 1 0 308.338 1.091 20 5 DDBDRO C[C@H]1CC[C@@H](NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])C[NH2+]1 ZINC000599936867 358085512 /nfs/dbraw/zinc/08/55/12/358085512.db2.gz CKSBIZBSFIMKJF-WCQYABFASA-N 1 0 306.366 1.877 20 5 DDBDRO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000600006816 358102076 /nfs/dbraw/zinc/10/20/76/358102076.db2.gz IGQNEFQYSMCWPU-UHFFFAOYSA-N 1 0 322.365 1.250 20 5 DDBDRO CNC(=O)C[C@H](C)[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000453342749 283337397 /nfs/dbraw/zinc/33/73/97/283337397.db2.gz CTCMAVIBSSRCMD-SDDRHHMPSA-N 1 0 309.370 1.389 20 5 DDBDRO CCc1n[nH]c(C(=O)NC[C@H]2CCCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000600313739 358192735 /nfs/dbraw/zinc/19/27/35/358192735.db2.gz JOBPLGAMVBCFBV-SNVBAGLBSA-N 1 0 309.370 1.342 20 5 DDBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000237356922 202242777 /nfs/dbraw/zinc/24/27/77/202242777.db2.gz JTALIFABBADNAT-GHMZBOCLSA-N 1 0 309.391 1.944 20 5 DDBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@@H]2COCCN2)o1 ZINC000600677936 358280526 /nfs/dbraw/zinc/28/05/26/358280526.db2.gz LQOPDIGPWLDLKA-GFCCVEGCSA-N 1 0 317.345 1.933 20 5 DDBDRO O=C(CCCCN1CCOCC1)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000180766252 199206240 /nfs/dbraw/zinc/20/62/40/199206240.db2.gz IMLVYYLENARELZ-UHFFFAOYSA-N 1 0 323.349 1.741 20 5 DDBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCCNC1=O ZINC000348101763 283368624 /nfs/dbraw/zinc/36/86/24/283368624.db2.gz KTXHESPETVJTEA-GWCFXTLKSA-N 1 0 320.349 1.180 20 5 DDBDRO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000601106809 358404552 /nfs/dbraw/zinc/40/45/52/358404552.db2.gz XJKCFOBKNLTYQJ-RNFRBKRXSA-N 1 0 305.260 1.003 20 5 DDBDRO C[N@@H+]1CCC[C@H](N2CCN(c3ncc(F)cc3[N+](=O)[O-])CC2)C1 ZINC000601115800 358408425 /nfs/dbraw/zinc/40/84/25/358408425.db2.gz CGYCLGUSIHKEKC-ZDUSSCGKSA-N 1 0 323.372 1.345 20 5 DDBDRO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000601154583 358424811 /nfs/dbraw/zinc/42/48/11/358424811.db2.gz PGOXPBSBVUDECJ-OCAPTIKFSA-N 1 0 319.287 1.345 20 5 DDBDRO NC(=O)c1ccc(N2CC[NH+](CC3CC3)CC2)c([N+](=O)[O-])c1 ZINC000298721246 283378655 /nfs/dbraw/zinc/37/86/55/283378655.db2.gz KPHNFGQNGOTFNK-UHFFFAOYSA-N 1 0 304.350 1.226 20 5 DDBDRO [NH3+]CCCCNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000181062832 199246602 /nfs/dbraw/zinc/24/66/02/199246602.db2.gz FUTUARBYHXMGHR-UHFFFAOYSA-N 1 0 303.322 1.249 20 5 DDBDRO Cc1cc(C(=O)NCCNc2cc[nH+]cc2)cc([N+](=O)[O-])c1 ZINC000358919393 299281202 /nfs/dbraw/zinc/28/12/02/299281202.db2.gz BIVYFGPWFDVLBC-UHFFFAOYSA-N 1 0 300.318 1.562 20 5 DDBDRO Cn1cc(CN2CCC[C@H]([NH+]3CCCC3)CC2)c([N+](=O)[O-])n1 ZINC000602476973 359003624 /nfs/dbraw/zinc/00/36/24/359003624.db2.gz HZXOIZQTYRGOSI-AWEZNQCLSA-N 1 0 307.398 1.779 20 5 DDBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)c3c(F)cccc3[N+](=O)[O-])C[C@H]21 ZINC000602481412 359007075 /nfs/dbraw/zinc/00/70/75/359007075.db2.gz CHLZNUKYHWVTOZ-HOSYDEDBSA-N 1 0 307.325 1.933 20 5 DDBDRO O=C(CNc1ccccc1[N+](=O)[O-])N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000602604261 359067747 /nfs/dbraw/zinc/06/77/47/359067747.db2.gz NRZWPOTWQKHNTB-GXTWGEPZSA-N 1 0 318.377 1.607 20 5 DDBDRO CO[C@H]1COCC[C@@H]1C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602677332 359120560 /nfs/dbraw/zinc/12/05/60/359120560.db2.gz XOYCOMXDIZTKPU-YGRLFVJLSA-N 1 0 321.333 1.877 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCN3CCCC3)CC2)cn1 ZINC000602587213 359057957 /nfs/dbraw/zinc/05/79/57/359057957.db2.gz PSSZYAVJWOUQQX-UHFFFAOYSA-N 1 0 319.409 1.644 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CCN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000602782905 359187283 /nfs/dbraw/zinc/18/72/83/359187283.db2.gz YFAAWIPWPMGSBV-AWEZNQCLSA-N 1 0 307.398 1.517 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)C[C@@H](O)Cc1ccccc1 ZINC000602840408 359229970 /nfs/dbraw/zinc/22/99/70/359229970.db2.gz MWBQJCRIZMZUJH-HNNXBMFYSA-N 1 0 318.377 1.635 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+]C1(C(=O)N(C)C)CCCCC1 ZINC000602843108 359231454 /nfs/dbraw/zinc/23/14/54/359231454.db2.gz UXDSLOACDHVNJO-UHFFFAOYSA-N 1 0 323.397 1.480 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000602796886 359199166 /nfs/dbraw/zinc/19/91/66/359199166.db2.gz ALCHBFJFLALGSF-KGLIPLIRSA-N 1 0 308.382 1.848 20 5 DDBDRO C[C@](CO)([NH2+]CCO[C@H]1CCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000602962380 359325189 /nfs/dbraw/zinc/32/51/89/359325189.db2.gz KCLKSMMDDYETHZ-JKSUJKDBSA-N 1 0 324.377 1.935 20 5 DDBDRO CO[C@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@@](C)(CO)C1 ZINC000602964531 359327510 /nfs/dbraw/zinc/32/75/10/359327510.db2.gz QZKMVBBUWMCDFW-HUUCEWRRSA-N 1 0 310.350 1.445 20 5 DDBDRO C[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C[C@H]1C(C)(C)C ZINC000603144069 359433405 /nfs/dbraw/zinc/43/34/05/359433405.db2.gz VQENQIOOQQLVDV-LBPRGKRZSA-N 1 0 322.365 1.498 20 5 DDBDRO Cn1cc(CN2CC[NH2+]C[C@@H]2c2cccc(F)c2)c([N+](=O)[O-])n1 ZINC000603427134 359634501 /nfs/dbraw/zinc/63/45/01/359634501.db2.gz BIRGUBFQEZLJFO-CQSZACIVSA-N 1 0 319.340 1.614 20 5 DDBDRO Cc1nn(C)c(N2CCC([N@H+]3CCOC[C@H]3C)CC2)c1[N+](=O)[O-] ZINC000603401244 359617588 /nfs/dbraw/zinc/61/75/88/359617588.db2.gz KLAPQGZBMONJCR-LLVKDONJSA-N 1 0 323.397 1.326 20 5 DDBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@@H]1CCCS(=O)(=O)C1 ZINC000565726351 304087174 /nfs/dbraw/zinc/08/71/74/304087174.db2.gz RRMSMFCROGRZGY-SMDDNHRTSA-N 1 0 324.402 1.997 20 5 DDBDRO O=C(CN1C[C@@H]2C[NH2+]C[C@H]2C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000603910353 359701682 /nfs/dbraw/zinc/70/16/82/359701682.db2.gz QHJZTSFXEJKBOA-UWVGGRQHSA-N 1 0 324.768 1.338 20 5 DDBDRO C[C@](C[NH3+])(NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C1CC1 ZINC000237611322 202303566 /nfs/dbraw/zinc/30/35/66/202303566.db2.gz RAMIPFMQZZJQES-CYBMUJFWSA-N 1 0 308.294 1.360 20 5 DDBDRO Cc1cc(S(=O)(=O)N2CCC(C[NH3+])CC2)ccc1[N+](=O)[O-] ZINC000237781825 202353819 /nfs/dbraw/zinc/35/38/19/202353819.db2.gz GJTFDQKPMKLSRU-UHFFFAOYSA-N 1 0 313.379 1.263 20 5 DDBDRO CC(C)(CO)[NH+]1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000618584530 363682830 /nfs/dbraw/zinc/68/28/30/363682830.db2.gz UWUCBYHQWHEBFC-UHFFFAOYSA-N 1 0 319.365 1.364 20 5 DDBDRO C[C@@]1(C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CCOC1 ZINC000609600613 360331706 /nfs/dbraw/zinc/33/17/06/360331706.db2.gz MORNOPQUIWFVQR-HNNXBMFYSA-N 1 0 308.334 1.882 20 5 DDBDRO O=[N+]([O-])c1ccc(OCC[NH2+]C[C@@H]2CNc3ccnn3C2)cc1 ZINC000609466582 360310644 /nfs/dbraw/zinc/31/06/44/360310644.db2.gz ONWHHMQGMQERHJ-GFCCVEGCSA-N 1 0 317.349 1.502 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2CCc3c2cccc3F)c1 ZINC000610336027 360415890 /nfs/dbraw/zinc/41/58/90/360415890.db2.gz FKYKRWUVFMQUSO-IAQYHMDHSA-N 1 0 320.324 1.568 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NC1CC[NH+](C)CC1 ZINC000281249009 216184058 /nfs/dbraw/zinc/18/40/58/216184058.db2.gz UJWWCDFXJMFRKZ-UHFFFAOYSA-N 1 0 307.350 1.818 20 5 DDBDRO COc1ccc(C[NH2+]C[C@@H](C)S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000611084663 360617607 /nfs/dbraw/zinc/61/76/07/360617607.db2.gz IAUONSKYSJCIQW-SECBINFHSA-N 1 0 302.352 1.126 20 5 DDBDRO CC[N@@H+]1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000611092537 360621237 /nfs/dbraw/zinc/62/12/37/360621237.db2.gz YCXOVAUXQWYFGX-GFCCVEGCSA-N 1 0 306.366 1.559 20 5 DDBDRO C[NH+](C)C[C@@H]1CCN(c2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000612444795 361019872 /nfs/dbraw/zinc/01/98/72/361019872.db2.gz NIVYWVFXKIFXKJ-NSHDSACASA-N 1 0 301.350 1.926 20 5 DDBDRO C[C@H](O)C[N@@H+]1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H](C)C1 ZINC000281389961 216266780 /nfs/dbraw/zinc/26/67/80/216266780.db2.gz GGBLTGDWLZNXDJ-QWRGUYRKSA-N 1 0 319.365 1.362 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NCC1=CC[N@H+](C)CC1 ZINC000271894686 209302722 /nfs/dbraw/zinc/30/27/22/209302722.db2.gz FMEDUKSZLQKOHW-UHFFFAOYSA-N 1 0 320.349 1.987 20 5 DDBDRO C[C@@H]1CC[NH2+]C[C@H]1NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000193409959 201047581 /nfs/dbraw/zinc/04/75/81/201047581.db2.gz QVLMOLKPOYIYQT-ZWNOBZJWSA-N 1 0 313.379 1.012 20 5 DDBDRO C[NH+](C)C1(CNC(=O)NCCc2ccccc2[N+](=O)[O-])CCC1 ZINC000275529449 212396410 /nfs/dbraw/zinc/39/64/10/212396410.db2.gz WUTDHBKJLHZPHL-UHFFFAOYSA-N 1 0 320.393 1.921 20 5 DDBDRO CNC(=O)c1ccc(N(C)CC2([NH+](C)C)CCC2)c([N+](=O)[O-])c1 ZINC000275382987 212300988 /nfs/dbraw/zinc/30/09/88/212300988.db2.gz BRQLZVWBYGBNCO-UHFFFAOYSA-N 1 0 320.393 1.875 20 5 DDBDRO CCC[C@H]1C[NH2+]CCN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000359219624 299361222 /nfs/dbraw/zinc/36/12/22/299361222.db2.gz BUEMSOQJHNPUSG-ZDUSSCGKSA-N 1 0 307.350 1.574 20 5 DDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCC2(CC[NH2+]C2)CC1 ZINC000261793495 203117757 /nfs/dbraw/zinc/11/77/57/203117757.db2.gz MCYDTUBFVNAFKZ-UHFFFAOYSA-N 1 0 303.362 1.739 20 5 DDBDRO C[C@@H](CC[NH3+])NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000349958122 284119025 /nfs/dbraw/zinc/11/90/25/284119025.db2.gz GTELMBSKTKDECG-JTQLQIEISA-N 1 0 303.322 1.248 20 5 DDBDRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])C1 ZINC000262563114 203331559 /nfs/dbraw/zinc/33/15/59/203331559.db2.gz AQTLLDULLZMUIF-OLZOCXBDSA-N 1 0 320.393 1.617 20 5 DDBDRO CCc1n[nH]c(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000264615139 204029578 /nfs/dbraw/zinc/02/95/78/204029578.db2.gz QPCNBJVRHXMAHW-SECBINFHSA-N 1 0 307.354 1.094 20 5 DDBDRO CC[N@@H+]1CCN(C(=O)CCn2cc([N+](=O)[O-])nc2C)[C@H](C)C1 ZINC000288260251 220048395 /nfs/dbraw/zinc/04/83/95/220048395.db2.gz FMVSWVIRKSXUCF-LLVKDONJSA-N 1 0 309.370 1.042 20 5 DDBDRO CO[C@H]1CC[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000267810299 206297769 /nfs/dbraw/zinc/29/77/69/206297769.db2.gz MRRZCRWZOJDWOA-LBPRGKRZSA-N 1 0 307.350 1.953 20 5 DDBDRO [NH3+]CC[C@@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000307824877 248836059 /nfs/dbraw/zinc/83/60/59/248836059.db2.gz UBQHOZIUIKXNLG-SNVBAGLBSA-N 1 0 305.256 1.533 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000337147829 249365381 /nfs/dbraw/zinc/36/53/81/249365381.db2.gz QCWRUTRXEVYQSS-QWHCGFSZSA-N 1 0 323.397 1.508 20 5 DDBDRO C[N@@H+]1CC[C@@H]2OCCN(CCOc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000284481188 218044527 /nfs/dbraw/zinc/04/45/27/218044527.db2.gz AWCVUDAWKDAUMK-ZBFHGGJFSA-N 1 0 321.377 1.379 20 5 DDBDRO C[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccncc1F ZINC000338362276 249928764 /nfs/dbraw/zinc/92/87/64/249928764.db2.gz YUFFLQIBZWPIIK-MWLCHTKSSA-N 1 0 309.301 1.037 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000338583385 250039297 /nfs/dbraw/zinc/03/92/97/250039297.db2.gz ZFYFCMUPCNVMDP-NSHDSACASA-N 1 0 319.361 1.960 20 5 DDBDRO C[NH+](C)[C@H]1CCCN(C(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000105199258 194083811 /nfs/dbraw/zinc/08/38/11/194083811.db2.gz DRIGKLPHMIXJLG-AWEZNQCLSA-N 1 0 306.366 1.830 20 5 DDBDRO CC[C@H]1CN(Cc2csc([N+](=O)[O-])c2)CC[N@@H+]1C[C@@H](C)O ZINC000105827364 194138818 /nfs/dbraw/zinc/13/88/18/194138818.db2.gz XGBSDKIGFSONRA-YPMHNXCESA-N 1 0 313.423 1.933 20 5 DDBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000048269170 183635145 /nfs/dbraw/zinc/63/51/45/183635145.db2.gz RAFBWPXXIWETFP-CHWSQXEVSA-N 1 0 323.397 1.276 20 5 DDBDRO CS[C@@H]1CN(c2ccc3ncc([N+](=O)[O-])n3n2)C[C@@H]1[NH+](C)C ZINC000340732382 251181871 /nfs/dbraw/zinc/18/18/71/251181871.db2.gz ACMHUUOGKDEPLM-VHSXEESVSA-N 1 0 322.394 1.119 20 5 DDBDRO COCCN(C)CC[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000061376323 184169590 /nfs/dbraw/zinc/16/95/90/184169590.db2.gz RPKYHLDMUHVZLJ-UHFFFAOYSA-N 1 0 301.774 1.916 20 5 DDBDRO Cc1c(Cl)cc(S(=O)(=O)NC(C)(C)C[NH3+])cc1[N+](=O)[O-] ZINC000063020553 184267581 /nfs/dbraw/zinc/26/75/81/184267581.db2.gz OSDHANWQPVFLIY-UHFFFAOYSA-N 1 0 321.786 1.572 20 5 DDBDRO COc1cc(C(=O)NCC[C@H]2CC[NH2+]C2)cc([N+](=O)[O-])c1OC ZINC000269167845 207291030 /nfs/dbraw/zinc/29/10/30/207291030.db2.gz FYWTWCSDYUTQPT-SNVBAGLBSA-N 1 0 323.349 1.341 20 5 DDBDRO COC(=O)[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000352417933 285037524 /nfs/dbraw/zinc/03/75/24/285037524.db2.gz WHRRDHIYLSHZOJ-LBPRGKRZSA-N 1 0 308.334 1.988 20 5 DDBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000567820636 304246538 /nfs/dbraw/zinc/24/65/38/304246538.db2.gz NEDKEHHWOLBKJR-WDEREUQCSA-N 1 0 322.365 1.625 20 5 DDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](CCO)CC1CC1 ZINC000352458683 285063993 /nfs/dbraw/zinc/06/39/93/285063993.db2.gz NSMWTTMUZFJJFM-LLVKDONJSA-N 1 0 307.350 1.626 20 5 DDBDRO COCc1cc([N+](=O)[O-])ccc1N1CC[NH+](CCCO)CC1 ZINC000270197908 208263241 /nfs/dbraw/zinc/26/32/41/208263241.db2.gz DBJHODKYBYYTSU-UHFFFAOYSA-N 1 0 309.366 1.246 20 5 DDBDRO COC1CC[NH+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000272947507 210334416 /nfs/dbraw/zinc/33/44/16/210334416.db2.gz PCTGBBPUVLVRKL-GFCCVEGCSA-N 1 0 310.350 1.445 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000158264054 197258394 /nfs/dbraw/zinc/25/83/94/197258394.db2.gz CIPOLZYIMMIYDK-HNNXBMFYSA-N 1 0 305.334 1.186 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000415492301 533142786 /nfs/dbraw/zinc/14/27/86/533142786.db2.gz BPLWMKCNLPMTAQ-SKDRFNHKSA-N 1 0 308.338 1.723 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@H]1CCC[C@H]1O ZINC000352687914 285228409 /nfs/dbraw/zinc/22/84/09/285228409.db2.gz ACFUCHFWQHXUSX-QWHCGFSZSA-N 1 0 323.349 1.387 20 5 DDBDRO C[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H]1CCC[C@H]1O ZINC000352692827 285232508 /nfs/dbraw/zinc/23/25/08/285232508.db2.gz GZAWORRXVKCKKC-UONOGXRCSA-N 1 0 308.334 1.807 20 5 DDBDRO CN(C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)C1CC([NH3+])C1 ZINC000294718635 224189234 /nfs/dbraw/zinc/18/92/34/224189234.db2.gz ASYRRUVWNDKJAE-UHFFFAOYSA-N 1 0 315.333 1.342 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000414662163 533226396 /nfs/dbraw/zinc/22/63/96/533226396.db2.gz YXQOWFLMDDSZPP-CMPLNLGQSA-N 1 0 320.349 1.819 20 5 DDBDRO Cn1cc(CNC[C@@H]([NH3+])C2CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000414894881 224415864 /nfs/dbraw/zinc/41/58/64/224415864.db2.gz UVWHGEHOAKCJBN-OAHLLOKOSA-N 1 0 315.377 1.822 20 5 DDBDRO Cc1nn(C)c(C(=O)NC[C@H](C)C[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000128407123 195961655 /nfs/dbraw/zinc/96/16/55/195961655.db2.gz ZNAGQHASXBNJEY-NSHDSACASA-N 1 0 323.397 1.489 20 5 DDBDRO COc1cccc(C(=O)N2CCC[C@H](CC[NH3+])C2)c1[N+](=O)[O-] ZINC000423613150 533398316 /nfs/dbraw/zinc/39/83/16/533398316.db2.gz OWEBZURKMVKDFG-LLVKDONJSA-N 1 0 307.350 1.804 20 5 DDBDRO COc1cc(C(=O)N[C@@H]2CC[NH2+]C2(C)C)cc([N+](=O)[O-])c1C ZINC000423727974 533548298 /nfs/dbraw/zinc/54/82/98/533548298.db2.gz JMOCGCQDBDBQDN-CYBMUJFWSA-N 1 0 307.350 1.782 20 5 DDBDRO Cc1n[nH]c(C(=O)NCc2ccc3c(c2)C[NH2+]C3)c1[N+](=O)[O-] ZINC000444259395 533667143 /nfs/dbraw/zinc/66/71/43/533667143.db2.gz KZLXUQSMNCZRCV-UHFFFAOYSA-N 1 0 301.306 1.160 20 5 DDBDRO O=[N+]([O-])c1cccc(Cl)c1CN1CC[C@H](CO)[C@H](O)C1 ZINC000569167158 304339277 /nfs/dbraw/zinc/33/92/77/304339277.db2.gz QUENTRCVUDZEGQ-NOZJJQNGSA-N 1 0 300.742 1.423 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[N@@H+](C)C(C)(C)C1 ZINC000569256644 304344330 /nfs/dbraw/zinc/34/43/30/304344330.db2.gz QUDJAGVOSZKERB-UHFFFAOYSA-N 1 0 320.393 1.868 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](C)[C@@H](C)[NH3+])c1C ZINC000420450663 292292169 /nfs/dbraw/zinc/29/21/69/292292169.db2.gz YOUBATWYVUFSCT-ZJUUUORDSA-N 1 0 301.368 1.226 20 5 DDBDRO COC(=O)c1cnc(N2CC[C@]3(C2)CCC[NH2+]C3)c([N+](=O)[O-])c1 ZINC000570189687 304400466 /nfs/dbraw/zinc/40/04/66/304400466.db2.gz HESUQAVAIDGIDA-OAHLLOKOSA-N 1 0 320.349 1.356 20 5 DDBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]C[C@H](O)Cn2cccn2)cc1 ZINC000570564610 304415104 /nfs/dbraw/zinc/41/51/04/304415104.db2.gz WMUCEORVQOLWPF-INIZCTEOSA-N 1 0 318.377 1.765 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N[C@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000361113396 299802895 /nfs/dbraw/zinc/80/28/95/299802895.db2.gz YWPVUJRZKSGDJC-GJZGRUSLSA-N 1 0 319.361 1.478 20 5 DDBDRO C[NH2+]CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000036298086 406977853 /nfs/dbraw/zinc/97/78/53/406977853.db2.gz XRXLLLLJWSAPAA-UHFFFAOYSA-N 1 0 307.759 1.136 20 5 DDBDRO O=[N+]([O-])c1ccc(CS(=O)(=O)NCCC[NH2+]C2CC2)cc1 ZINC000036267345 406977960 /nfs/dbraw/zinc/97/79/60/406977960.db2.gz PPXNANWRZMVAOB-UHFFFAOYSA-N 1 0 313.379 1.156 20 5 DDBDRO CC[N@@H+]1CCC[C@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000052556121 407152352 /nfs/dbraw/zinc/15/23/52/407152352.db2.gz HOLXGRGRZUYEFY-ZDUSSCGKSA-N 1 0 306.366 1.878 20 5 DDBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000055209810 407198360 /nfs/dbraw/zinc/19/83/60/407198360.db2.gz ATSBKNSUSSREGL-ZDUSSCGKSA-N 1 0 320.393 1.997 20 5 DDBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000124500974 407359954 /nfs/dbraw/zinc/35/99/54/407359954.db2.gz YZFCDLXBUMBENU-ZDUSSCGKSA-N 1 0 309.341 1.877 20 5 DDBDRO COCC1CC[NH+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000112355915 407427288 /nfs/dbraw/zinc/42/72/88/407427288.db2.gz MGHMNMDURWMAMD-OAHLLOKOSA-N 1 0 324.377 1.693 20 5 DDBDRO C[NH+](C)[C@@H]1CCCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000112601664 407433309 /nfs/dbraw/zinc/43/33/09/407433309.db2.gz RFZLPQJKWFWKKL-CYBMUJFWSA-N 1 0 306.366 1.220 20 5 DDBDRO CCc1n[nH]c(C(=O)N(C)[C@@H]2CC[N@@H+](CC)C[C@@H]2C)c1[N+](=O)[O-] ZINC000185725431 407487019 /nfs/dbraw/zinc/48/70/19/407487019.db2.gz QZVOVBDFJQJIKV-CMPLNLGQSA-N 1 0 323.397 1.683 20 5 DDBDRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000261663409 407572435 /nfs/dbraw/zinc/57/24/35/407572435.db2.gz GJTOZUCEANNSOR-QWRGUYRKSA-N 1 0 318.377 1.978 20 5 DDBDRO C[NH+](C)[C@H]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000151853310 407512524 /nfs/dbraw/zinc/51/25/24/407512524.db2.gz IAOAUJSZYOHJIC-ZDUSSCGKSA-N 1 0 309.341 1.829 20 5 DDBDRO C[NH2+][C@@H]1CCCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000261858408 407644330 /nfs/dbraw/zinc/64/43/30/407644330.db2.gz YZEFSEOLEQEHHR-DOMZBBRYSA-N 1 0 318.377 1.384 20 5 DDBDRO CCc1n[nH]c(C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000171276996 407646323 /nfs/dbraw/zinc/64/63/23/407646323.db2.gz BGVVDARMYISUEE-NSHDSACASA-N 1 0 323.397 1.731 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N(C)[C@H]2CC[NH2+]C2)c1C ZINC000178949547 407668525 /nfs/dbraw/zinc/66/85/25/407668525.db2.gz HXKFAIRRSVDZGK-NSHDSACASA-N 1 0 313.379 1.194 20 5 DDBDRO C[C@H]1CCCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H]1C[NH3+] ZINC000261915659 407669770 /nfs/dbraw/zinc/66/97/70/407669770.db2.gz GWQGCPYNBDTZJY-HZMBPMFUSA-N 1 0 306.366 1.253 20 5 DDBDRO CN(CCC[NH+]1CCN(C)CC1)Cc1csc([N+](=O)[O-])c1 ZINC000266968360 407696376 /nfs/dbraw/zinc/69/63/76/407696376.db2.gz YUPDUPBTEZEWTL-UHFFFAOYSA-N 1 0 312.439 1.726 20 5 DDBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000271474932 407699365 /nfs/dbraw/zinc/69/93/65/407699365.db2.gz ZJMXDATUACXCRN-NSHDSACASA-N 1 0 309.370 1.132 20 5 DDBDRO COC[C@@]1(CNC(=O)c2cc(C)cc([N+](=O)[O-])c2)CCC[NH2+]1 ZINC000261984705 407700601 /nfs/dbraw/zinc/70/06/01/407700601.db2.gz AUVKWLUSTUTSTH-HNNXBMFYSA-N 1 0 307.350 1.402 20 5 DDBDRO Cc1ccc(S(=O)(=O)N[C@H]2CC[NH2+][C@H](C)C2)cc1[N+](=O)[O-] ZINC000235429310 407720740 /nfs/dbraw/zinc/72/07/40/407720740.db2.gz URWFYEOWQBGWOY-MNOVXSKESA-N 1 0 313.379 1.322 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000235669641 407721366 /nfs/dbraw/zinc/72/13/66/407721366.db2.gz CLBHXDWVDFWCBK-WDEREUQCSA-N 1 0 313.379 1.322 20 5 DDBDRO CC(C)N1CC[C@@H](N2CCc3c(cccc3[N+](=O)[O-])C2)C1=O ZINC000153122293 407760889 /nfs/dbraw/zinc/76/08/89/407760889.db2.gz XTDAZFGSTAOHPI-OAHLLOKOSA-N 1 0 303.362 1.962 20 5 DDBDRO C[C@@H](CCNC(=O)c1cc([N+](=O)[O-])cnc1N)[NH+]1CCCCC1 ZINC000186744445 407761995 /nfs/dbraw/zinc/76/19/95/407761995.db2.gz WOZSYNNVIFEVLJ-NSHDSACASA-N 1 0 321.381 1.566 20 5 DDBDRO Nc1c(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cccc1[N+](=O)[O-] ZINC000267248822 407806568 /nfs/dbraw/zinc/80/65/68/407806568.db2.gz GFBSVEKXBJOHPB-NWDGAFQWSA-N 1 0 304.350 1.534 20 5 DDBDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000272223253 407822517 /nfs/dbraw/zinc/82/25/17/407822517.db2.gz IVWWLECLCFLTDL-WDEREUQCSA-N 1 0 309.391 1.883 20 5 DDBDRO Cc1ccc(S(=O)(=O)N2CC[C@H]([NH3+])C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000237536548 407824292 /nfs/dbraw/zinc/82/42/92/407824292.db2.gz QVNWFSCSXOUMKT-QWRGUYRKSA-N 1 0 313.379 1.404 20 5 DDBDRO [NH3+]C[C@H]1CCCCN1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000237967902 407857510 /nfs/dbraw/zinc/85/75/10/407857510.db2.gz CCMVWLVPUOVYGZ-CYBMUJFWSA-N 1 0 313.379 1.238 20 5 DDBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000262587181 407874172 /nfs/dbraw/zinc/87/41/72/407874172.db2.gz ZWRWMYPKOMWTMG-XJKSGUPXSA-N 1 0 304.394 1.635 20 5 DDBDRO O=C(NCC[NH2+]C1CC1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000238110900 407890672 /nfs/dbraw/zinc/89/06/72/407890672.db2.gz ZTBUSTADZIJPAS-UHFFFAOYSA-N 1 0 315.333 1.262 20 5 DDBDRO C[NH2+][C@@H]1CCCN(C(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000133436915 407844644 /nfs/dbraw/zinc/84/46/44/407844644.db2.gz VIRSKPDZLAEYNC-VUDGCMKMSA-N 1 0 307.325 1.958 20 5 DDBDRO C[C@H](CN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000272497363 407950623 /nfs/dbraw/zinc/95/06/23/407950623.db2.gz GCIVIFJGOIUMCO-DOMZBBRYSA-N 1 0 317.393 1.957 20 5 DDBDRO CC(C)[N@H+]1C[C@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000181184835 407962416 /nfs/dbraw/zinc/96/24/16/407962416.db2.gz NXDVFILTVWYRNR-JQWIXIFHSA-N 1 0 306.366 1.636 20 5 DDBDRO COc1cc(OCC(=O)N[C@@H]2CC[NH2+]C[C@H]2C)ccc1[N+](=O)[O-] ZINC000262920803 407969047 /nfs/dbraw/zinc/96/90/47/407969047.db2.gz ZHQPLIUYPOLVMH-ZYHUDNBSSA-N 1 0 323.349 1.096 20 5 DDBDRO COc1cc(C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000268162935 407924027 /nfs/dbraw/zinc/92/40/27/407924027.db2.gz ILSBHFSSDNCDSJ-GXFFZTMASA-N 1 0 319.361 1.816 20 5 DDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]([NH+](C)C)C1 ZINC000245819687 408074607 /nfs/dbraw/zinc/07/46/07/408074607.db2.gz UGANIMXVOKTLCZ-IUODEOHRSA-N 1 0 320.393 1.948 20 5 DDBDRO NCC(F)(F)CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000190203318 408188833 /nfs/dbraw/zinc/18/88/33/408188833.db2.gz MWCASBDHCSCZOB-UHFFFAOYSA-N 1 0 314.292 1.493 20 5 DDBDRO CCc1n[nH]c(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000175829144 408217899 /nfs/dbraw/zinc/21/78/99/408217899.db2.gz YXTKOXIAIXYJDR-SECBINFHSA-N 1 0 311.386 1.586 20 5 DDBDRO C[C@H]1CCCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)[C@H]1C[NH3+] ZINC000156654908 408269703 /nfs/dbraw/zinc/26/97/03/408269703.db2.gz FIMBZDGVSAXHPG-ZANVPECISA-N 1 0 317.349 1.671 20 5 DDBDRO CN(C[C@H]1CC[N@H+](C)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000273674899 408284225 /nfs/dbraw/zinc/28/42/25/408284225.db2.gz YDVNYZKTOZYGDU-NSHDSACASA-N 1 0 313.379 1.167 20 5 DDBDRO CC(C)[N@@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC1 ZINC000263915233 408312424 /nfs/dbraw/zinc/31/24/24/408312424.db2.gz BEDSPBLWOYOLFX-UHFFFAOYSA-N 1 0 308.338 1.252 20 5 DDBDRO Cc1nn(CCC(=O)NCC[NH+]2CCCCC2)c(C)c1[N+](=O)[O-] ZINC000264005499 408343046 /nfs/dbraw/zinc/34/30/46/408343046.db2.gz SSYRQKVJYATXOZ-UHFFFAOYSA-N 1 0 323.397 1.400 20 5 DDBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000246819612 408346957 /nfs/dbraw/zinc/34/69/57/408346957.db2.gz RHBTUNGJJKYYNF-IUODEOHRSA-N 1 0 305.378 1.936 20 5 DDBDRO CC(C)(O)CN1CCN(C(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000171654129 162233483 /nfs/dbraw/zinc/23/34/83/162233483.db2.gz CTLVQBIUQQLGCY-UHFFFAOYSA-N 1 0 313.379 1.185 20 5 DDBDRO Nc1c(C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000176835248 408454270 /nfs/dbraw/zinc/45/42/70/408454270.db2.gz KUMUWYFFSFHNRR-LBPRGKRZSA-N 1 0 318.377 1.735 20 5 DDBDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1ccc([N+](=O)[O-])s1 ZINC000160153277 408460110 /nfs/dbraw/zinc/46/01/10/408460110.db2.gz ZVXNGBYUGJPYKP-SNVBAGLBSA-N 1 0 313.379 1.233 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000177213560 408552343 /nfs/dbraw/zinc/55/23/43/408552343.db2.gz CNXGJJXMYGKGBZ-PWSUYJOCSA-N 1 0 321.381 1.231 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H](CO)C1 ZINC000248374766 408552693 /nfs/dbraw/zinc/55/26/93/408552693.db2.gz TYTJKUCFSCMHCS-CHWSQXEVSA-N 1 0 310.350 1.039 20 5 DDBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000248446234 408569138 /nfs/dbraw/zinc/56/91/38/408569138.db2.gz WQRUBPNGLYTCSS-QWRGUYRKSA-N 1 0 321.381 1.422 20 5 DDBDRO CC[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C[C@H]1CCCO1 ZINC000248457538 408571374 /nfs/dbraw/zinc/57/13/74/408571374.db2.gz MKFVNZSTJWOKKL-ZIAGYGMSSA-N 1 0 324.377 1.835 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC(OC[C@H]3CCCO3)CC2)n1 ZINC000177448486 408620901 /nfs/dbraw/zinc/62/09/01/408620901.db2.gz WCLFZAAXZOIKIA-CQSZACIVSA-N 1 0 324.381 1.451 20 5 DDBDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000177457942 408625156 /nfs/dbraw/zinc/62/51/56/408625156.db2.gz KPFZTRZEKRSGDB-GHMZBOCLSA-N 1 0 306.366 1.780 20 5 DDBDRO CC(C)C[NH+]1CCC(NC(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC000270760389 408669431 /nfs/dbraw/zinc/66/94/31/408669431.db2.gz FJKJIPUICVFSOO-UHFFFAOYSA-N 1 0 309.370 1.179 20 5 DDBDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000184857658 408704347 /nfs/dbraw/zinc/70/43/47/408704347.db2.gz MHPIDPCBYKVJNI-LLVKDONJSA-N 1 0 321.381 1.518 20 5 DDBDRO Cc1c(CN2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000249492434 408731618 /nfs/dbraw/zinc/73/16/18/408731618.db2.gz FNXHOTOTDUYEIS-CHWSQXEVSA-N 1 0 307.394 1.790 20 5 DDBDRO O=C(C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)N1CCOCC1 ZINC000193071952 408689565 /nfs/dbraw/zinc/68/95/65/408689565.db2.gz NUFYEDVKJVRXCW-HNNXBMFYSA-N 1 0 319.361 1.421 20 5 DDBDRO O=[N+]([O-])c1ccc(OC[C@H]2C[NH2+]CCO2)c(Br)c1 ZINC000164069623 408794218 /nfs/dbraw/zinc/79/42/18/408794218.db2.gz AKFXEVQVMYGJDP-SECBINFHSA-N 1 0 317.139 1.725 20 5 DDBDRO C[N@@H+]1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)C(C)(C)C1 ZINC000270947485 408753953 /nfs/dbraw/zinc/75/39/53/408753953.db2.gz UNUWCRRTYYQEMK-UHFFFAOYSA-N 1 0 307.350 1.526 20 5 DDBDRO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC[NH2+]CC1 ZINC000166862510 408816760 /nfs/dbraw/zinc/81/67/60/408816760.db2.gz JLUHLVSLGNJUMS-UHFFFAOYSA-N 1 0 314.139 1.403 20 5 DDBDRO CCOc1cc(C[N@@H+]2CC[C@](C)(C(N)=O)C2)ccc1[N+](=O)[O-] ZINC000280840870 408843818 /nfs/dbraw/zinc/84/38/18/408843818.db2.gz XBCHDTHBKJUMRE-HNNXBMFYSA-N 1 0 307.350 1.691 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NCC(C)(C)C[NH+](C)C ZINC000277275743 408911083 /nfs/dbraw/zinc/91/10/83/408911083.db2.gz LPYJBWLZGIEXBD-UHFFFAOYSA-N 1 0 309.366 1.921 20 5 DDBDRO C[C@H]1COCC[C@H]1[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000277496517 408952218 /nfs/dbraw/zinc/95/22/18/408952218.db2.gz PDOQQJNLQUSEAL-SMDDNHRTSA-N 1 0 319.361 1.499 20 5 DDBDRO CCSCC[C@@H](C)[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000245449878 163412326 /nfs/dbraw/zinc/41/23/26/163412326.db2.gz OCPWBMFZPPXVSR-DGCLKSJQSA-N 1 0 316.427 1.616 20 5 DDBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1c1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000286307710 408960786 /nfs/dbraw/zinc/96/07/86/408960786.db2.gz JYJKLUOAKVASTO-AAEUAGOBSA-N 1 0 318.377 1.757 20 5 DDBDRO CN1CC[N@H+](C)C[C@@H]1CNc1c2ccccc2ncc1[N+](=O)[O-] ZINC000292005913 408962016 /nfs/dbraw/zinc/96/20/16/408962016.db2.gz RSKOLPSAYMEGEH-LBPRGKRZSA-N 1 0 315.377 1.801 20 5 DDBDRO C[C@@H]1COCC[C@@H]1[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000277548837 408963360 /nfs/dbraw/zinc/96/33/60/408963360.db2.gz SPCJRWDVDVMZRU-AGIUHOORSA-N 1 0 310.350 1.349 20 5 DDBDRO C[C@H]1C[N@H+](CCCNC(=O)c2ccc([N+](=O)[O-])[nH]2)CCCO1 ZINC000277619722 408978605 /nfs/dbraw/zinc/97/86/05/408978605.db2.gz QWGAUCABUBPVER-NSHDSACASA-N 1 0 310.354 1.154 20 5 DDBDRO C[C@H]1OCC[C@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000292124703 408984732 /nfs/dbraw/zinc/98/47/32/408984732.db2.gz HWCNVQVKBNCMFJ-ZWNOBZJWSA-N 1 0 314.363 1.136 20 5 DDBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000286630304 408992927 /nfs/dbraw/zinc/99/29/27/408992927.db2.gz AVRIPBJJNKZIAW-QWRGUYRKSA-N 1 0 307.354 1.027 20 5 DDBDRO Cc1cc(C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)c(N)c([N+](=O)[O-])c1 ZINC000293244654 409074781 /nfs/dbraw/zinc/07/47/81/409074781.db2.gz FLLXOTCJASZQNK-CMPLNLGQSA-N 1 0 304.350 1.309 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)n1 ZINC000287723360 409082408 /nfs/dbraw/zinc/08/24/08/409082408.db2.gz FKUQSNPAWRNZQE-ZJUUUORDSA-N 1 0 320.349 1.814 20 5 DDBDRO C[C@@H]1CN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@H](C)[N@H+]1C ZINC000293328650 409090363 /nfs/dbraw/zinc/09/03/63/409090363.db2.gz GILIUFRVYZQEER-TXEJJXNPSA-N 1 0 321.377 1.986 20 5 DDBDRO C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000293709209 409165971 /nfs/dbraw/zinc/16/59/71/409165971.db2.gz POKDAVJDBZUYIR-BXUZGUMPSA-N 1 0 307.350 1.122 20 5 DDBDRO C[C@@H](C[NH+](C)C)NC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000289056450 409213715 /nfs/dbraw/zinc/21/37/15/409213715.db2.gz LRTXGSSOQNYBEG-NSHDSACASA-N 1 0 309.370 1.256 20 5 DDBDRO COC(=O)c1cn(CC[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)nn1 ZINC000283879805 409233699 /nfs/dbraw/zinc/23/36/99/409233699.db2.gz HBBVRMMAMIHASP-UHFFFAOYSA-N 1 0 319.321 1.071 20 5 DDBDRO CNC(=O)c1ccc(NCC[N@H+]2CC=CCC2)c([N+](=O)[O-])c1 ZINC000280174340 409263839 /nfs/dbraw/zinc/26/38/39/409263839.db2.gz HMINFFINQMPSHD-UHFFFAOYSA-N 1 0 304.350 1.628 20 5 DDBDRO C[C@H]1C[C@H](N(C)C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC[N@@H+]1C ZINC000284195882 409294291 /nfs/dbraw/zinc/29/42/91/409294291.db2.gz ZFXGDLQTEGTKKE-VHSXEESVSA-N 1 0 324.356 1.871 20 5 DDBDRO Cc1ccc(C[NH2+]C[C@H]2CCCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000290150695 409310600 /nfs/dbraw/zinc/31/06/00/409310600.db2.gz OVTNQOGCHHAHMJ-CYBMUJFWSA-N 1 0 312.391 1.818 20 5 DDBDRO O=C(CC[N@H+](C1CC1)C1COC1)Nc1ccccc1[N+](=O)[O-] ZINC000295563635 409349086 /nfs/dbraw/zinc/34/90/86/409349086.db2.gz YBVZJFXUTTXPHE-UHFFFAOYSA-N 1 0 305.334 1.787 20 5 DDBDRO COC(=O)Cc1ccc(N2CC[NH+](C(C)C)CC2)c([N+](=O)[O-])c1 ZINC000296198985 409461151 /nfs/dbraw/zinc/46/11/51/409461151.db2.gz BZGUGZAUGZJBDP-UHFFFAOYSA-N 1 0 321.377 1.841 20 5 DDBDRO C[C@H](CCCC[NH3+])NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000312867226 164010055 /nfs/dbraw/zinc/01/00/55/164010055.db2.gz SVFQCNCHFPLNMP-SNVBAGLBSA-N 1 0 301.368 1.391 20 5 DDBDRO C[C@@H](CCCC[NH3+])NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000314213368 164013950 /nfs/dbraw/zinc/01/39/50/164013950.db2.gz VGJRWGXBQAEOHA-NSHDSACASA-N 1 0 315.395 1.532 20 5 DDBDRO O=[N+]([O-])c1c(NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)nc2sccn21 ZINC000316905081 164024703 /nfs/dbraw/zinc/02/47/03/164024703.db2.gz XYHZFJRXEWLBRM-VHSXEESVSA-N 1 0 323.378 1.579 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N(C)C[C@H]2CCC[N@@H+]2C)c1 ZINC000316971047 164025276 /nfs/dbraw/zinc/02/52/76/164025276.db2.gz ZUTZPVUIULXIKP-GFCCVEGCSA-N 1 0 307.350 1.912 20 5 DDBDRO COc1c(C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)cccc1[N+](=O)[O-] ZINC000356745521 409567387 /nfs/dbraw/zinc/56/73/87/409567387.db2.gz OJECNHLAZLKMMZ-LLVKDONJSA-N 1 0 319.361 1.984 20 5 DDBDRO COC[C@]1(C(=O)OC)CC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000296311650 409500029 /nfs/dbraw/zinc/50/00/29/409500029.db2.gz OEVHPXSPBSAWDC-INIZCTEOSA-N 1 0 322.361 1.915 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@@](O)(C(F)(F)F)CC2)n1 ZINC000285594904 409502671 /nfs/dbraw/zinc/50/26/71/409502671.db2.gz PGTGLWLFVMFPPE-NSHDSACASA-N 1 0 322.287 1.571 20 5 DDBDRO Cn1nc([N+](=O)[O-])cc1C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000356728055 409554193 /nfs/dbraw/zinc/55/41/93/409554193.db2.gz JGEZDNIOMXFARH-UHFFFAOYSA-N 1 0 309.370 1.179 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@@H]1C1CCOCC1 ZINC000348947559 409602178 /nfs/dbraw/zinc/60/21/78/409602178.db2.gz JLUPVZQASZAZAD-OAHLLOKOSA-N 1 0 321.377 1.648 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H](c2cccs2)C2CC2)c1 ZINC000342469165 409653152 /nfs/dbraw/zinc/65/31/52/409653152.db2.gz DMQLCJKELLMAPP-OCCSQVGLSA-N 1 0 322.390 1.955 20 5 DDBDRO C[C@@H]1[C@H](C)N(C(=O)CN(C)c2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000356843271 409654487 /nfs/dbraw/zinc/65/44/87/409654487.db2.gz GIBLQKDZLQTATP-OLZOCXBDSA-N 1 0 320.393 1.582 20 5 DDBDRO C[C@@]1(O)CC[N@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000331651140 409735097 /nfs/dbraw/zinc/73/50/97/409735097.db2.gz MAMWMEURASMNDR-OAHLLOKOSA-N 1 0 321.333 1.350 20 5 DDBDRO CCOc1ccc([C@@H](C)[NH2+][C@H]2CCC(=O)NC2)cc1[N+](=O)[O-] ZINC000349206369 409748100 /nfs/dbraw/zinc/74/81/00/409748100.db2.gz ACIQIVNYTDENKS-PWSUYJOCSA-N 1 0 307.350 1.923 20 5 DDBDRO COc1ccc(S(=O)(=O)N[C@H](C)C[C@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000320480625 409906935 /nfs/dbraw/zinc/90/69/35/409906935.db2.gz GUNPGORFOJFVGK-DTWKUNHWSA-N 1 0 317.367 1.008 20 5 DDBDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C[C@@H](C)C1 ZINC000346229487 409871317 /nfs/dbraw/zinc/87/13/17/409871317.db2.gz MBNUOODYTMMJMR-NHCYSSNCSA-N 1 0 307.354 1.120 20 5 DDBDRO C[C@H](CNc1nccc(C(N)=O)c1[N+](=O)[O-])[N@@H+]1CCCC[C@H]1C ZINC000357308651 409967729 /nfs/dbraw/zinc/96/77/29/409967729.db2.gz WQTOKLLVZUTBRL-GHMZBOCLSA-N 1 0 321.381 1.764 20 5 DDBDRO C[NH+](C)C[C@@](C)(O)CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC000342913554 409993339 /nfs/dbraw/zinc/99/33/39/409993339.db2.gz UWHOGPOUOJVKNC-HNNXBMFYSA-N 1 0 320.349 1.119 20 5 DDBDRO Cn1nc([N+](=O)[O-])cc1C(=O)Nc1ccccc1C[NH+](C)C ZINC000579903572 422850599 /nfs/dbraw/zinc/85/05/99/422850599.db2.gz BEEZJOSJUVXYCK-UHFFFAOYSA-N 1 0 303.322 1.642 20 5 DDBDRO CC(C)[N@H+](C)CCNC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000338475727 410015712 /nfs/dbraw/zinc/01/57/12/410015712.db2.gz WZTCRNTXTAURJO-UHFFFAOYSA-N 1 0 323.397 1.646 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC3(CCC3)[C@H]2C2CC2)c1 ZINC000357457085 410051314 /nfs/dbraw/zinc/05/13/14/410051314.db2.gz VAALKWLSJYAIDC-ZIAGYGMSSA-N 1 0 306.366 1.417 20 5 DDBDRO CCNC(=O)[C@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)C(C)C ZINC000339316265 410085990 /nfs/dbraw/zinc/08/59/90/410085990.db2.gz MPRAEEMMECDRBH-CQSZACIVSA-N 1 0 309.366 1.854 20 5 DDBDRO C[N@@H+]1CC[C@@H]2OCCN(CCc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000332394029 410121330 /nfs/dbraw/zinc/12/13/30/410121330.db2.gz WGXIXJWZDAEUKU-CVEARBPZSA-N 1 0 305.378 1.542 20 5 DDBDRO CC(C)[N@H+](C)CCCNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000351720127 410182573 /nfs/dbraw/zinc/18/25/73/410182573.db2.gz MUSZUJHVEJGFRQ-UHFFFAOYSA-N 1 0 323.349 1.784 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@@H]2c2cccnc2)c1 ZINC000346999106 410298896 /nfs/dbraw/zinc/29/88/96/410298896.db2.gz PCXYUSDBCOKDFI-LSDHHAIUSA-N 1 0 317.349 1.384 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1CNC[C@]1(O)CC[N@H+](C)C1 ZINC000358132109 410379047 /nfs/dbraw/zinc/37/90/47/410379047.db2.gz GMFMLLZVKOZNFX-OAHLLOKOSA-N 1 0 309.366 1.150 20 5 DDBDRO C[C@@H]1[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2F)CCC[N@@H+]1C ZINC000343437286 410450891 /nfs/dbraw/zinc/45/08/91/410450891.db2.gz KYKOCKJMZVDLRB-YGRLFVJLSA-N 1 0 309.341 1.875 20 5 DDBDRO CCC[N@@H+]1CC[C@H](CNc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000299069154 410506033 /nfs/dbraw/zinc/50/60/33/410506033.db2.gz OISGJUWUXRNRDP-LLVKDONJSA-N 1 0 306.366 1.838 20 5 DDBDRO COC[C@@H]1CC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000352235566 410568594 /nfs/dbraw/zinc/56/85/94/410568594.db2.gz XCLXGDKRLJPDCR-GFCCVEGCSA-N 1 0 319.361 1.452 20 5 DDBDRO C[NH+](C)C[C@](C)(O)CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000343571791 410542848 /nfs/dbraw/zinc/54/28/48/410542848.db2.gz TVJUTNYZFQODTG-MRXNPFEDSA-N 1 0 323.393 1.301 20 5 DDBDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000343719439 410648446 /nfs/dbraw/zinc/64/84/46/410648446.db2.gz CZLLPQJUQRXBKB-MGPQQGTHSA-N 1 0 323.393 1.359 20 5 DDBDRO CC(C)C[NH+]1CCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC1 ZINC000330440840 410692302 /nfs/dbraw/zinc/69/23/02/410692302.db2.gz OUSFRXUQJZBTAJ-UHFFFAOYSA-N 1 0 323.397 1.327 20 5 DDBDRO COC(=O)C1CC[NH+](CCCNc2ccncc2[N+](=O)[O-])CC1 ZINC000340151431 410710558 /nfs/dbraw/zinc/71/05/58/410710558.db2.gz BKNKISFPARRWDI-UHFFFAOYSA-N 1 0 322.365 1.099 20 5 DDBDRO COc1ccc(C(=O)N(C)[C@@H]2C[NH+]3CCC2CC3)cc1[N+](=O)[O-] ZINC000347948530 410813088 /nfs/dbraw/zinc/81/30/88/410813088.db2.gz MWFBBZLXJKKRGY-CQSZACIVSA-N 1 0 319.361 1.770 20 5 DDBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000353292748 410906617 /nfs/dbraw/zinc/90/66/17/410906617.db2.gz GFRMXPJQHQLTJJ-NSHDSACASA-N 1 0 309.370 1.654 20 5 DDBDRO O=[N+]([O-])c1ccc2oc(C[N@H+]3C[C@@H]4CC[C@H](O)[C@H]4C3)nc2c1 ZINC000344041285 410915062 /nfs/dbraw/zinc/91/50/62/410915062.db2.gz IEIFVKSIBZPONF-GAFUQQFSSA-N 1 0 303.318 1.939 20 5 DDBDRO CN(C)C[C@H](O)C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000338224836 306735656 /nfs/dbraw/zinc/73/56/56/306735656.db2.gz GTVPZKUMVAVMMM-NUEKZKHPSA-N 1 0 321.421 1.818 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)[C@H](C[NH3+])C1CC1 ZINC000359907719 410945525 /nfs/dbraw/zinc/94/55/25/410945525.db2.gz GXBUKNUQYMVPLA-CYBMUJFWSA-N 1 0 322.365 1.211 20 5 DDBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1cc([N+](=O)[O-])nn1C ZINC000356465705 411045983 /nfs/dbraw/zinc/04/59/83/411045983.db2.gz YVFLXXRTUGBDRT-MNOVXSKESA-N 1 0 309.370 1.179 20 5 DDBDRO CCN(CC[NH3+])C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000638521982 422960041 /nfs/dbraw/zinc/96/00/41/422960041.db2.gz SSCFGKSSEPRDES-UHFFFAOYSA-N 1 0 323.396 1.962 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000417188107 225237315 /nfs/dbraw/zinc/23/73/15/225237315.db2.gz VLALHJLEJXCORB-MNOVXSKESA-N 1 0 322.365 1.495 20 5 DDBDRO O=C(NCCC[C@H]1CCC[NH2+]1)NCCc1ccc([N+](=O)[O-])cc1 ZINC000417225603 225254175 /nfs/dbraw/zinc/25/41/75/225254175.db2.gz JQLCEWRNFQNOLK-CQSZACIVSA-N 1 0 320.393 1.969 20 5 DDBDRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000417762099 225427539 /nfs/dbraw/zinc/42/75/39/225427539.db2.gz IGNUVCVVQYMDKX-NWDGAFQWSA-N 1 0 306.366 1.516 20 5 DDBDRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000419000360 226001547 /nfs/dbraw/zinc/00/15/47/226001547.db2.gz OGAHVCDWMXBZHS-GHMZBOCLSA-N 1 0 319.365 1.362 20 5 DDBDRO O=C(NCC1CC[NH2+]CC1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000297262814 226916898 /nfs/dbraw/zinc/91/68/98/226916898.db2.gz RTAVCEMWUSUAQN-UHFFFAOYSA-N 1 0 318.377 1.899 20 5 DDBDRO C[C@@H]1[C@H]([NH3+])CCCN1C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000297326128 227011116 /nfs/dbraw/zinc/01/11/16/227011116.db2.gz HCPYPWPGMDPTIE-QMTHXVAHSA-N 1 0 316.361 1.957 20 5 DDBDRO COc1cc(CN2CCC3(CC[NH2+]3)CC2)c([N+](=O)[O-])cc1OC ZINC000422561682 227049263 /nfs/dbraw/zinc/04/92/63/227049263.db2.gz MTPSWGNRPKIURW-UHFFFAOYSA-N 1 0 321.377 1.940 20 5 DDBDRO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000366197111 418441649 /nfs/dbraw/zinc/44/16/49/418441649.db2.gz ANDOFKNPZGEIRV-CYBMUJFWSA-N 1 0 319.361 1.578 20 5 DDBDRO CC[C@@H]1CN(Cc2c([N+](=O)[O-])ncn2C)C[C@@]2(CCOC2)O1 ZINC000373803670 418461300 /nfs/dbraw/zinc/46/13/00/418461300.db2.gz FAVJZPNZWXGHBT-BXUZGUMPSA-N 1 0 310.354 1.098 20 5 DDBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCC(=O)N(C)C1=O ZINC000424310404 533682417 /nfs/dbraw/zinc/68/24/17/533682417.db2.gz CGRHUUVFVZONRO-WCQYABFASA-N 1 0 319.361 1.653 20 5 DDBDRO CCC[N@H+](CC)C[C@@H](C)Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290903640 222007479 /nfs/dbraw/zinc/00/74/79/222007479.db2.gz VMGPUQCFVKOXRS-SNVBAGLBSA-N 1 0 309.370 1.621 20 5 DDBDRO Nc1c(C(=O)N[C@H]2C[C@@H]2C2CC[NH2+]CC2)cc(F)cc1[N+](=O)[O-] ZINC000361082105 418579653 /nfs/dbraw/zinc/57/96/53/418579653.db2.gz UIOBKXOYLDJSNN-PWSUYJOCSA-N 1 0 322.340 1.434 20 5 DDBDRO CC[N@H+](C[C@@H](C)OC)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000291348788 222329885 /nfs/dbraw/zinc/32/98/85/222329885.db2.gz XQHMJHLNLMXWPD-OCCSQVGLSA-N 1 0 312.366 1.691 20 5 DDBDRO COC(=O)C[C@@]1([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)CCOC1 ZINC000361729277 418702996 /nfs/dbraw/zinc/70/29/96/418702996.db2.gz NRDPWZQDYPSNRJ-HNNXBMFYSA-N 1 0 324.333 1.415 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1OCc1nc(C(C)(C)[NH3+])no1 ZINC000387044597 418741723 /nfs/dbraw/zinc/74/17/23/418741723.db2.gz OUVYIFVWOIVQEX-UHFFFAOYSA-N 1 0 308.294 1.759 20 5 DDBDRO CC1CC[NH+](C2CCC(NC(=O)[C@@H]3C[C@@H]3[N+](=O)[O-])CC2)CC1 ZINC000370938555 418752029 /nfs/dbraw/zinc/75/20/29/418752029.db2.gz BFUBWUIXPRNQAS-CVSAEHQPSA-N 1 0 309.410 1.811 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1C[C@H](C)CC[NH2+]1 ZINC000423062425 227333300 /nfs/dbraw/zinc/33/33/00/227333300.db2.gz NADBCYNSAMDKEY-MFKMUULPSA-N 1 0 307.350 1.608 20 5 DDBDRO Cc1ccnc(N2CCCN(CC[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000364886314 418821909 /nfs/dbraw/zinc/82/19/09/418821909.db2.gz RZERBVDZWZNZMQ-UHFFFAOYSA-N 1 0 307.398 1.372 20 5 DDBDRO CCC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC(=O)NC ZINC000411179045 418876619 /nfs/dbraw/zinc/87/66/19/418876619.db2.gz BHUIFIVZWQEVEN-UHFFFAOYSA-N 1 0 322.365 1.381 20 5 DDBDRO C[C@]1(C[NH3+])CCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000417930086 419393912 /nfs/dbraw/zinc/39/39/12/419393912.db2.gz AZEJZPLETKZJBB-OAHLLOKOSA-N 1 0 306.366 1.518 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C)C[C@H]1CCC[N@@H+]1C ZINC000420998103 419433443 /nfs/dbraw/zinc/43/34/43/419433443.db2.gz HWFKNEPOUXGRKW-CYBMUJFWSA-N 1 0 320.393 1.868 20 5 DDBDRO COCC[N@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000411903816 419465198 /nfs/dbraw/zinc/46/51/98/419465198.db2.gz KXVFUKPIOQBMPH-LSDHHAIUSA-N 1 0 321.377 1.393 20 5 DDBDRO COC(=O)[C@H]1CN([C@H](C)c2cccc([N+](=O)[O-])c2)CC[N@H+](C)C1 ZINC000411910619 419468689 /nfs/dbraw/zinc/46/86/89/419468689.db2.gz SLBXIWUVPZYWHL-TZMCWYRMSA-N 1 0 321.377 1.692 20 5 DDBDRO Cc1c(CNC(=O)N[C@H]2CC[NH2+]C[C@H]2C)cccc1[N+](=O)[O-] ZINC000418084018 419520768 /nfs/dbraw/zinc/52/07/68/419520768.db2.gz UIJGBFFTMCKOAJ-MFKMUULPSA-N 1 0 306.366 1.700 20 5 DDBDRO COC(=O)[C@]1(C)CCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000412065340 419616872 /nfs/dbraw/zinc/61/68/72/419616872.db2.gz KRBCHJIJZFHECA-OAHLLOKOSA-N 1 0 323.349 1.032 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NC1CCC([NH+](C)C)CC1 ZINC000421683310 419680039 /nfs/dbraw/zinc/68/00/39/419680039.db2.gz DJUVNJRKZQGZAX-UHFFFAOYSA-N 1 0 306.366 1.901 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000421704093 419689281 /nfs/dbraw/zinc/68/92/81/419689281.db2.gz NTQRGJOYUJFVFY-LBPRGKRZSA-N 1 0 307.350 1.770 20 5 DDBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC1CC[NH2+]CC1 ZINC000418304558 419690411 /nfs/dbraw/zinc/69/04/11/419690411.db2.gz GLKPUMROQXHFJA-UHFFFAOYSA-N 1 0 306.366 1.531 20 5 DDBDRO O=C(N[C@@H]1CCCC[NH2+]C1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000418361227 419742078 /nfs/dbraw/zinc/74/20/78/419742078.db2.gz CFCIHUYKOYSKGN-CQSZACIVSA-N 1 0 318.377 1.805 20 5 DDBDRO C[NH2+]CCC[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000414861621 419848226 /nfs/dbraw/zinc/84/82/26/419848226.db2.gz SIFZJKPEPIGLDN-UHFFFAOYSA-N 1 0 303.366 1.694 20 5 DDBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NCC1=CC[NH2+]CC1 ZINC000418538184 419865851 /nfs/dbraw/zinc/86/58/51/419865851.db2.gz KPAFWRZNYVDNCA-UHFFFAOYSA-N 1 0 318.377 1.698 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[NH2+][C@@H](C)[C@@H]1C ZINC000436055216 229445011 /nfs/dbraw/zinc/44/50/11/229445011.db2.gz IZJJNKMTWICSDW-RYUDHWBXSA-N 1 0 306.366 1.524 20 5 DDBDRO COc1ccc(NC(=O)CN2CC[NH2+][C@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000436056945 229445620 /nfs/dbraw/zinc/44/56/20/229445620.db2.gz FGVOEJUZESZFTQ-MNOVXSKESA-N 1 0 322.365 1.224 20 5 DDBDRO C[C@H]1CN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000429167010 419979412 /nfs/dbraw/zinc/97/94/12/419979412.db2.gz WSEHDKXXGAAJPO-GXFFZTMASA-N 1 0 318.377 1.978 20 5 DDBDRO CCCN(CC(N)=O)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000429193450 419984577 /nfs/dbraw/zinc/98/45/77/419984577.db2.gz UYFIQDGNHSOLMN-UHFFFAOYSA-N 1 0 308.338 1.039 20 5 DDBDRO COc1cc(C(=O)N(C2CC2)[C@H]2CC[NH2+]C2)cc([N+](=O)[O-])c1C ZINC000423453092 420053229 /nfs/dbraw/zinc/05/32/29/420053229.db2.gz IVFCRQNZFVNLJK-ZDUSSCGKSA-N 1 0 319.361 1.878 20 5 DDBDRO CO[C@@H]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2C)[C@@H](C[NH3+])C1 ZINC000423497267 420062790 /nfs/dbraw/zinc/06/27/90/420062790.db2.gz GHUHVIAQJDJKLK-ZIAGYGMSSA-N 1 0 321.377 1.410 20 5 DDBDRO CNC(=O)[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430237705 420094588 /nfs/dbraw/zinc/09/45/88/420094588.db2.gz PKCYTMKOQBPCKU-GFCCVEGCSA-N 1 0 307.350 1.561 20 5 DDBDRO [NH3+]C1CCC(Nc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000420173638 420142207 /nfs/dbraw/zinc/14/22/07/420142207.db2.gz XMCXQQGHBQFPFY-UHFFFAOYSA-N 1 0 303.322 2.327 20 5 DDBDRO C[C@@]1(CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CCC[NH2+]C1 ZINC000415575825 420115724 /nfs/dbraw/zinc/11/57/24/420115724.db2.gz VEHMHZDOLNWQBC-OAHLLOKOSA-N 1 0 320.349 1.039 20 5 DDBDRO CC(C)(NC(=O)C[C@H]1C[NH2+]CCO1)c1ccc([N+](=O)[O-])cc1 ZINC000430421856 420120090 /nfs/dbraw/zinc/12/00/90/420120090.db2.gz BIMHDHMOXQFJFJ-ZDUSSCGKSA-N 1 0 307.350 1.325 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)c1 ZINC000423590364 420090260 /nfs/dbraw/zinc/09/02/60/420090260.db2.gz IHELZVQHKGNKDN-GXFFZTMASA-N 1 0 307.350 1.721 20 5 DDBDRO C[C@H]1CCCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]1C[NH3+] ZINC000420290197 420184036 /nfs/dbraw/zinc/18/40/36/420184036.db2.gz LMSPBEDFMLCXRQ-WFASDCNBSA-N 1 0 320.393 1.983 20 5 DDBDRO COc1ccc(NC(=O)CCN2CCC[C@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000420298024 420188628 /nfs/dbraw/zinc/18/86/28/420188628.db2.gz ZNRPRFCZLOEASW-NSHDSACASA-N 1 0 322.365 1.355 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)[C@@H](C)C[NH3+] ZINC000420298269 420189803 /nfs/dbraw/zinc/18/98/03/420189803.db2.gz ZUTYWVCRLGHROK-JTQLQIEISA-N 1 0 310.354 1.211 20 5 DDBDRO C[NH2+]C1CCN(CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000430917660 420204448 /nfs/dbraw/zinc/20/44/48/420204448.db2.gz DKSWASQZCNBXAX-UHFFFAOYSA-N 1 0 322.365 1.226 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@H]1C[NH3+] ZINC000430574946 420144184 /nfs/dbraw/zinc/14/41/84/420144184.db2.gz PJHVPJYDXAUDMA-ZDUSSCGKSA-N 1 0 306.366 1.655 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCC[C@H]2CCC[NH2+]C2)n1 ZINC000420206088 420151053 /nfs/dbraw/zinc/15/10/53/420151053.db2.gz PQRMQZWSTKHCQP-SNVBAGLBSA-N 1 0 308.338 1.578 20 5 DDBDRO C[C@H]1CC[NH2+]C[C@H]1Nc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000420238994 420164407 /nfs/dbraw/zinc/16/44/07/420164407.db2.gz LKNZMNSNYDQAEA-JOYOIKCWSA-N 1 0 303.322 2.055 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000430699394 420180213 /nfs/dbraw/zinc/18/02/13/420180213.db2.gz POIAMCRCNRXSON-ZDUSSCGKSA-N 1 0 306.366 1.806 20 5 DDBDRO [NH3+]CC[C@@H](NC(=O)NCc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000415993574 420234676 /nfs/dbraw/zinc/23/46/76/420234676.db2.gz JLILMYNRMANLFA-SNVBAGLBSA-N 1 0 320.271 1.674 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1C[C@H](C)[NH2+]C[C@H]1C ZINC000420401311 420263709 /nfs/dbraw/zinc/26/37/09/420263709.db2.gz PGCFHRQCYYQHFB-NWDGAFQWSA-N 1 0 306.366 1.524 20 5 DDBDRO C[C@H]1CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](C)C[NH2+]1 ZINC000420406983 420266054 /nfs/dbraw/zinc/26/60/54/420266054.db2.gz VAUHPIGYQRXYMU-RYUDHWBXSA-N 1 0 306.366 1.606 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC[C@@H]1CC[NH2+]C1 ZINC000440838697 229842188 /nfs/dbraw/zinc/84/21/88/229842188.db2.gz UUNBUNSUMNCAIK-LLVKDONJSA-N 1 0 313.379 1.099 20 5 DDBDRO CC[NH+]1CCC(NC(=O)Cn2cc([N+](=O)[O-])c(C3CC3)n2)CC1 ZINC000436204743 420315807 /nfs/dbraw/zinc/31/58/07/420315807.db2.gz ASUULLAVVPYTJC-UHFFFAOYSA-N 1 0 321.381 1.269 20 5 DDBDRO O=[N+]([O-])c1cccc(CS(=O)(=O)NCCC[NH2+]C2CC2)c1 ZINC000420454707 420298141 /nfs/dbraw/zinc/29/81/41/420298141.db2.gz WRABQIZYSKIDAJ-UHFFFAOYSA-N 1 0 313.379 1.156 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000424003204 420301575 /nfs/dbraw/zinc/30/15/75/420301575.db2.gz DJHFGHQPXRSRNL-WDEREUQCSA-N 1 0 307.350 1.660 20 5 DDBDRO COc1cccc(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000436009894 420301696 /nfs/dbraw/zinc/30/16/96/420301696.db2.gz WQFWEDXBHYCHOU-NWDGAFQWSA-N 1 0 319.361 1.960 20 5 DDBDRO [NH3+][C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C[C@H]1c1cccc(F)c1 ZINC000424008140 420303179 /nfs/dbraw/zinc/30/31/79/420303179.db2.gz HOIFMYKIVQERCX-NWDGAFQWSA-N 1 0 318.308 1.629 20 5 DDBDRO CC[C@@H]([NH3+])CNC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000417730531 420462627 /nfs/dbraw/zinc/46/26/27/420462627.db2.gz QZDSEDPJDVHEEY-CYBMUJFWSA-N 1 0 308.382 1.954 20 5 DDBDRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000417764965 420471548 /nfs/dbraw/zinc/47/15/48/420471548.db2.gz NEBHJFWZUPFLMB-OCCSQVGLSA-N 1 0 320.393 1.906 20 5 DDBDRO C[C@@H]1CCN(C(=O)NCCc2ccccc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000417774764 420475476 /nfs/dbraw/zinc/47/54/76/420475476.db2.gz ZUCQQVCDYXRIMW-OCCSQVGLSA-N 1 0 320.393 1.906 20 5 DDBDRO CC(C)[C@@H]([NH3+])CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000440422142 420575608 /nfs/dbraw/zinc/57/56/08/420575608.db2.gz CYAZGJRPSNAMBV-VIFPVBQESA-N 1 0 321.786 1.510 20 5 DDBDRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)/C=C/c3ccc(F)cc3[N+](=O)[O-])C[C@@H]12 ZINC000493405312 420840806 /nfs/dbraw/zinc/84/08/06/420840806.db2.gz UIUPXCCWUPJWHH-UMZYOIPCSA-N 1 0 319.336 1.943 20 5 DDBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3C[C@H](O)[C@@H](CO)C3)o2)cc1 ZINC000459718019 420855775 /nfs/dbraw/zinc/85/57/75/420855775.db2.gz XHCSYBPJSKIOHS-DOMZBBRYSA-N 1 0 318.329 1.640 20 5 DDBDRO O=C(/C=C\c1ccc(F)cc1[N+](=O)[O-])NCC[C@H]1CC[NH2+]C1 ZINC000493812441 420946781 /nfs/dbraw/zinc/94/67/81/420946781.db2.gz BQBUBAMBGWTNBB-CJHWANRJSA-N 1 0 307.325 1.863 20 5 DDBDRO CCO[C@@H]1COC[C@H]1NCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000449723275 421068835 /nfs/dbraw/zinc/06/88/35/421068835.db2.gz WZDVMUCEHCMDBS-ZIAGYGMSSA-N 1 0 324.333 1.355 20 5 DDBDRO C[NH+](C)C1(CNC(=O)NCc2cccc([N+](=O)[O-])c2)CCC1 ZINC000527083640 421354025 /nfs/dbraw/zinc/35/40/25/421354025.db2.gz CXPQZHMKIHGYGP-UHFFFAOYSA-N 1 0 306.366 1.878 20 5 DDBDRO C[C@H](CNS(=O)(=O)c1ccccc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000548369114 421428987 /nfs/dbraw/zinc/42/89/87/421428987.db2.gz PZNUKKPWFBQTEI-LLVKDONJSA-N 1 0 313.379 1.357 20 5 DDBDRO C[C@@H](C(=O)N(C)CCc1ccccc1[N+](=O)[O-])[NH+]1CC(C)C1 ZINC000514871809 421462664 /nfs/dbraw/zinc/46/26/64/421462664.db2.gz KMAGTTILCKSINF-ZDUSSCGKSA-N 1 0 305.378 1.936 20 5 DDBDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000548713601 421465327 /nfs/dbraw/zinc/46/53/27/421465327.db2.gz XGRDLNXIXCWBCH-JTQLQIEISA-N 1 0 307.354 1.176 20 5 DDBDRO C[NH+](C)Cc1cccc(CNC(=O)c2c[nH]nc2[N+](=O)[O-])c1 ZINC000548738352 421468744 /nfs/dbraw/zinc/46/87/44/421468744.db2.gz PCRYDMKJJBNYCY-UHFFFAOYSA-N 1 0 303.322 1.310 20 5 DDBDRO COC(C)(C)C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000564319683 421579122 /nfs/dbraw/zinc/57/91/22/421579122.db2.gz KVVKCNASKMVQBW-UHFFFAOYSA-N 1 0 316.379 1.383 20 5 DDBDRO CNc1nccc(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000568899519 421622879 /nfs/dbraw/zinc/62/28/79/421622879.db2.gz QUIUJRSVUVITEY-JTQLQIEISA-N 1 0 323.397 1.738 20 5 DDBDRO C[N@H+](CCNC(=O)c1ccnc(N)c1[N+](=O)[O-])C1CCCCC1 ZINC000569740287 421628046 /nfs/dbraw/zinc/62/80/46/421628046.db2.gz YNUOKNCOQOTOJF-UHFFFAOYSA-N 1 0 321.381 1.566 20 5 DDBDRO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000535835743 421711479 /nfs/dbraw/zinc/71/14/79/421711479.db2.gz NGJPWYFNYHHWPH-ZDUSSCGKSA-N 1 0 323.393 1.726 20 5 DDBDRO CC1(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000519697908 421717178 /nfs/dbraw/zinc/71/71/78/421717178.db2.gz JXLJZVUFPDGLMZ-AWEZNQCLSA-N 1 0 324.377 1.741 20 5 DDBDRO COc1ccc(C[N@H+](C)[C@H](CO)COC(C)C)cc1[N+](=O)[O-] ZINC000519853566 421734523 /nfs/dbraw/zinc/73/45/23/421734523.db2.gz WJLXBRZFMPNRGO-CYBMUJFWSA-N 1 0 312.366 1.821 20 5 DDBDRO CC(C)[N@@H+]1CC[C@H](CNc2ncc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000520065304 421738800 /nfs/dbraw/zinc/73/88/00/421738800.db2.gz RKEMPGWJNQTONA-SNVBAGLBSA-N 1 0 307.354 1.231 20 5 DDBDRO O=[N+]([O-])c1cnc(N2CC[NH+](CC3CCOCC3)CC2)c(F)c1 ZINC000571741010 421739105 /nfs/dbraw/zinc/73/91/05/421739105.db2.gz DRWKQJAKZJDGST-UHFFFAOYSA-N 1 0 324.356 1.678 20 5 DDBDRO CCc1ccc(S(=O)(=O)N(C)CCC[NH2+]C)cc1[N+](=O)[O-] ZINC000522000768 421811543 /nfs/dbraw/zinc/81/15/43/421811543.db2.gz UQBUHJZJADMXJB-UHFFFAOYSA-N 1 0 315.395 1.387 20 5 DDBDRO C[C@@H]1C[C@H](NC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)CC[NH2+]1 ZINC000557222335 421765647 /nfs/dbraw/zinc/76/56/47/421765647.db2.gz UUTQZYQHFKHLSH-DGCLKSJQSA-N 1 0 318.377 1.803 20 5 DDBDRO CC(C)(C)[N@@H+]1CCCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000521142595 421773740 /nfs/dbraw/zinc/77/37/40/421773740.db2.gz XWPGWWDGYVLEHJ-UHFFFAOYSA-N 1 0 309.370 1.124 20 5 DDBDRO COC1(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC[NH2+]CC1 ZINC000574280575 422087100 /nfs/dbraw/zinc/08/71/00/422087100.db2.gz NRHIYZCEVNJVHW-UHFFFAOYSA-N 1 0 305.334 1.253 20 5 DDBDRO CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)c1cc([N+](=O)[O-])nn1C ZINC000574782459 422180456 /nfs/dbraw/zinc/18/04/56/422180456.db2.gz ZNYIQFLKWVORDN-NSHDSACASA-N 1 0 309.370 1.275 20 5 DDBDRO Nc1ccc(NC[C@H](c2ccco2)[NH+]2CCCC2)nc1[N+](=O)[O-] ZINC000590570269 422321016 /nfs/dbraw/zinc/32/10/16/422321016.db2.gz YEILSNWUJKZOQV-GFCCVEGCSA-N 1 0 317.349 2.414 20 5 DDBDRO CCCC[C@H](C[NH3+])NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000575803541 422326311 /nfs/dbraw/zinc/32/63/11/422326311.db2.gz RUKCCRLDQXFBMF-SECBINFHSA-N 1 0 309.322 1.571 20 5 DDBDRO C[NH2+]CC1CCN(C(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000577608603 422391215 /nfs/dbraw/zinc/39/12/15/422391215.db2.gz WOXYPBICACCVRT-UHFFFAOYSA-N 1 0 321.377 1.604 20 5 DDBDRO C[NH2+]C1(CNc2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])CCC1 ZINC000598632247 422398241 /nfs/dbraw/zinc/39/82/41/422398241.db2.gz CAWGRVYGQGQPEO-UHFFFAOYSA-N 1 0 308.338 1.639 20 5 DDBDRO CCC(CC)[NH2+]CCNc1nc(C)cc(C(=O)OC)c1[N+](=O)[O-] ZINC000599097462 422403301 /nfs/dbraw/zinc/40/33/01/422403301.db2.gz IRXPVPYDPKKPDB-UHFFFAOYSA-N 1 0 324.381 2.275 20 5 DDBDRO CC1CC([NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000184406869 263387366 /nfs/dbraw/zinc/38/73/66/263387366.db2.gz LPDVPBQLMBYSEB-UHFFFAOYSA-N 1 0 313.379 1.261 20 5 DDBDRO CO[C@@H]1CCN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000322281644 271029203 /nfs/dbraw/zinc/02/92/03/271029203.db2.gz VDMXUNSAZRUJJP-LAYDCRAFSA-N 1 0 319.361 1.573 20 5 DDBDRO O=C1CC[C@@H]([NH2+]Cc2c(F)cccc2[N+](=O)[O-])[C@H](C2CC2)N1 ZINC000342073945 271291395 /nfs/dbraw/zinc/29/13/95/271291395.db2.gz ZIFPQVWMYCNGLE-DOMZBBRYSA-N 1 0 307.325 1.881 20 5 DDBDRO NC(=O)c1cccc(N2CC[C@@H]([NH+]3CCCCC3)C2)c1[N+](=O)[O-] ZINC000342209361 271340016 /nfs/dbraw/zinc/34/00/16/271340016.db2.gz RUYLMPDDLJJOPO-GFCCVEGCSA-N 1 0 318.377 1.758 20 5 DDBDRO CC[NH+]1C[C@H](C)N(C(=O)CCn2cc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000344412365 272018367 /nfs/dbraw/zinc/01/83/67/272018367.db2.gz CWGZGYJXMXKTLN-RYUDHWBXSA-N 1 0 309.370 1.123 20 5 DDBDRO [NH3+][C@@H]1CCCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000346107430 272415513 /nfs/dbraw/zinc/41/55/13/272415513.db2.gz ZIBJCZVGQVFUPI-LLVKDONJSA-N 1 0 303.322 1.568 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@H]2CCn3cncc3C2)cc1 ZINC001120599257 782047117 /nfs/dbraw/zinc/04/71/17/782047117.db2.gz JAOBLRPKSVUMAA-WFASDCNBSA-N 1 0 302.334 1.429 20 5 DDBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCC[NH2+]1 ZINC000423229577 274206594 /nfs/dbraw/zinc/20/65/94/274206594.db2.gz BOQYPDNMVQMQED-WCQYABFASA-N 1 0 306.366 1.654 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)[C@H](NC[C@H]1C[NH2+]CCCO1)CCC2 ZINC000423492140 275038400 /nfs/dbraw/zinc/03/84/00/275038400.db2.gz LWOWDBGALJZDJX-GDBMZVCRSA-N 1 0 305.378 1.940 20 5 DDBDRO O=[N+]([O-])c1cnc2ccc(N3CC[C@@H]([NH+]4CC=CC4)C3)nn21 ZINC000302010361 275041559 /nfs/dbraw/zinc/04/15/59/275041559.db2.gz VYIOJRKTTFXDLD-LLVKDONJSA-N 1 0 300.322 1.088 20 5 DDBDRO CC(C)C[C@@](C)(C[NH3+])NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000236668909 275592698 /nfs/dbraw/zinc/59/26/98/275592698.db2.gz UONQWBGLMCPWDJ-HNNXBMFYSA-N 1 0 309.366 1.853 20 5 DDBDRO CCCNC(=O)C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447517675 278833440 /nfs/dbraw/zinc/83/34/40/278833440.db2.gz LWZUVJXAYLCMCZ-RYUDHWBXSA-N 1 0 309.370 1.391 20 5 DDBDRO Cc1cc(C)c(S(=O)(=O)N[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000193233082 280396154 /nfs/dbraw/zinc/39/61/54/280396154.db2.gz QDHQRYZQMCSKLL-LLVKDONJSA-N 1 0 313.379 1.242 20 5 DDBDRO Cc1cc(C(=O)NCC(C)(C)C[NH+](C)C)c(N)c([N+](=O)[O-])c1 ZINC000104823571 281050151 /nfs/dbraw/zinc/05/01/51/281050151.db2.gz YNPPHACHKTVTHJ-UHFFFAOYSA-N 1 0 308.382 1.803 20 5 DDBDRO C[C@@H]1[NH2+]CCC[C@@H]1NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000189317681 297541954 /nfs/dbraw/zinc/54/19/54/297541954.db2.gz FDDFEODQYWHLIT-WPRPVWTQSA-N 1 0 317.342 1.153 20 5 DDBDRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1c([N+](=O)[O-])cnn1C ZINC000163257970 298206987 /nfs/dbraw/zinc/20/69/87/298206987.db2.gz BAQGIQFPDOKHEC-NSHDSACASA-N 1 0 311.386 1.569 20 5 DDBDRO C[NH2+]CCCn1cc([N+](=O)[O-])c(C)c(Br)c1=O ZINC000165417005 298216403 /nfs/dbraw/zinc/21/64/03/298216403.db2.gz UZBXEGYTKJBFMS-UHFFFAOYSA-N 1 0 304.144 1.437 20 5 DDBDRO CC[C@H](CO)[NH+]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000353996832 298334110 /nfs/dbraw/zinc/33/41/10/298334110.db2.gz GHIUXUQVNRVYPE-GMNBZTITSA-N 1 0 319.405 1.997 20 5 DDBDRO CCCC[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])nn2C)CC1 ZINC000356480768 298803050 /nfs/dbraw/zinc/80/30/50/298803050.db2.gz ORKHVJKRDNBDPX-UHFFFAOYSA-N 1 0 309.370 1.323 20 5 DDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H](C[NH3+])CC(C)C ZINC000111829966 301014626 /nfs/dbraw/zinc/01/46/26/301014626.db2.gz JWKSDHNNRSABBT-NSHDSACASA-N 1 0 315.395 1.555 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H]1CCc2ccccc2OC1 ZINC000368488544 301038847 /nfs/dbraw/zinc/03/88/47/301038847.db2.gz PVSXAJRSVSXKIB-GFCCVEGCSA-N 1 0 302.334 1.812 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC000368595220 301061437 /nfs/dbraw/zinc/06/14/37/301061437.db2.gz SIERBSLNASWEIP-OLZOCXBDSA-N 1 0 321.381 1.042 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CC[NH+]2CCC1CC2 ZINC000368975991 301115628 /nfs/dbraw/zinc/11/56/28/301115628.db2.gz ZOXBQBTXXBWCJI-UHFFFAOYSA-N 1 0 323.324 1.419 20 5 DDBDRO CCCc1n[nH]c(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000369144145 301136798 /nfs/dbraw/zinc/13/67/98/301136798.db2.gz OFQGBABHUQSSKC-GHMZBOCLSA-N 1 0 321.381 1.627 20 5 DDBDRO O=[N+]([O-])c1cnn(CCN2CCC[C@H]([NH+]3CCCCC3)C2)c1 ZINC000369994142 301254322 /nfs/dbraw/zinc/25/43/22/301254322.db2.gz GHRLFJISQJPZOA-AWEZNQCLSA-N 1 0 307.398 1.742 20 5 DDBDRO COc1ccc(CC(=O)N2CC[C@]3(CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000575800812 304733707 /nfs/dbraw/zinc/73/37/07/304733707.db2.gz WSHXEEWVDGFGRP-INIZCTEOSA-N 1 0 319.361 1.358 20 5 DDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000370365175 301324848 /nfs/dbraw/zinc/32/48/48/301324848.db2.gz DQGOFOZHJCZOTP-GFCCVEGCSA-N 1 0 318.377 1.877 20 5 DDBDRO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)COc1ccccc1[N+](=O)[O-] ZINC000372767913 301609992 /nfs/dbraw/zinc/60/99/92/301609992.db2.gz JZMHDKBUOCESPP-YHWZYXNKSA-N 1 0 319.361 1.844 20 5 DDBDRO Nc1ccc(N2CCC[N@@H+](C3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000376170198 302044217 /nfs/dbraw/zinc/04/42/17/302044217.db2.gz DWOOEABYWLEIKK-UHFFFAOYSA-N 1 0 320.393 1.868 20 5 DDBDRO CCOc1ccc(C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1[N+](=O)[O-] ZINC000377748945 302225148 /nfs/dbraw/zinc/22/51/48/302225148.db2.gz UNXVJHMFIKIWDW-OLZOCXBDSA-N 1 0 319.361 1.675 20 5 DDBDRO Cn1ccc(N2CC[C@H]([NH2+]Cc3ccccc3[N+](=O)[O-])C2)n1 ZINC000378480254 302332761 /nfs/dbraw/zinc/33/27/61/302332761.db2.gz ZJSXSLWYZLLGCY-ZDUSSCGKSA-N 1 0 301.350 1.697 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000423971880 302705200 /nfs/dbraw/zinc/70/52/00/302705200.db2.gz KVNBGHSMQGIEEW-IUODEOHRSA-N 1 0 318.377 1.902 20 5 DDBDRO COc1ccc(CC(=O)N(C)[C@@H](C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000518361758 302824935 /nfs/dbraw/zinc/82/49/35/302824935.db2.gz VVXNDKVLQUYKIQ-ZDUSSCGKSA-N 1 0 307.350 1.342 20 5 DDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC3(CC[NH2+]3)CC2)cc1 ZINC000519698831 302849445 /nfs/dbraw/zinc/84/94/45/302849445.db2.gz WCDJTSBRPKTQEE-UHFFFAOYSA-N 1 0 311.363 1.111 20 5 DDBDRO CC(C)(O)C[N@H+](CCn1cc([N+](=O)[O-])cn1)C1CCOCC1 ZINC000530938979 303221596 /nfs/dbraw/zinc/22/15/96/303221596.db2.gz GXSDJMIAFCHQTK-UHFFFAOYSA-N 1 0 312.370 1.043 20 5 DDBDRO C[NH+](C)[C@]1(CNC(=O)c2ccc([N+](=O)[O-])cn2)CCSC1 ZINC000532143838 303277135 /nfs/dbraw/zinc/27/71/35/303277135.db2.gz CNZIXYXRLFXPLS-ZDUSSCGKSA-N 1 0 310.379 1.157 20 5 DDBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@@H]1COCCO1)C1CC1 ZINC000358213349 306934356 /nfs/dbraw/zinc/93/43/56/306934356.db2.gz BQLIWKZNAUQYET-HUUCEWRRSA-N 1 0 306.362 1.921 20 5 DDBDRO Cc1cc(NC(=O)C(=O)N(C)CCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000562700481 303888374 /nfs/dbraw/zinc/88/83/74/303888374.db2.gz LSLMROLSFSMYKA-UHFFFAOYSA-N 1 0 322.365 1.252 20 5 DDBDRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)[C@@H]3C[C@@H]3[N+](=O)[O-])C2)CC1 ZINC000364485935 307046489 /nfs/dbraw/zinc/04/64/89/307046489.db2.gz SKMBJLXENRHXNE-ZNMIVQPWSA-N 1 0 309.410 1.622 20 5 DDBDRO Nc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000364905434 307053512 /nfs/dbraw/zinc/05/35/12/307053512.db2.gz LVXJPPHNFUMHJX-JTQLQIEISA-N 1 0 319.365 1.319 20 5 DDBDRO CNC(=O)c1ccc(N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)c([N+](=O)[O-])c1 ZINC000365018717 307056623 /nfs/dbraw/zinc/05/66/23/307056623.db2.gz ORTLMWBXFZELFR-NHYWBVRUSA-N 1 0 318.377 1.485 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@@]2(CCC[C@H]2[NH3+])C1 ZINC000365087200 307058355 /nfs/dbraw/zinc/05/83/55/307058355.db2.gz WREYZLCLMBFZDI-HIFRSBDPSA-N 1 0 304.350 1.642 20 5 DDBDRO Cc1cc(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(N)c([N+](=O)[O-])c1 ZINC000365182777 307060837 /nfs/dbraw/zinc/06/08/37/307060837.db2.gz IQJICXBJMOYVQU-NWDGAFQWSA-N 1 0 318.377 1.842 20 5 DDBDRO O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000365275300 307063379 /nfs/dbraw/zinc/06/33/79/307063379.db2.gz OKKNGTSYIRISJT-ONGXEEELSA-N 1 0 319.317 1.148 20 5 DDBDRO Cc1ccc(NC(=O)C2C[C@@H]3C[NH2+]C[C@H](C2)C3=O)cc1[N+](=O)[O-] ZINC000372088830 307163088 /nfs/dbraw/zinc/16/30/88/307163088.db2.gz PWARZIOFDGVSEE-YOGCLGLASA-N 1 0 317.345 1.656 20 5 DDBDRO Cn1ccc(N2CC[C@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)C2=O)n1 ZINC000375955000 307235570 /nfs/dbraw/zinc/23/55/70/307235570.db2.gz PQSSKVLMTSQOCP-ZDUSSCGKSA-N 1 0 315.333 1.223 20 5 DDBDRO O=C1OCCN1C[C@@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000497296030 307389249 /nfs/dbraw/zinc/38/92/49/307389249.db2.gz HKBZDPJBVIVITF-CYBMUJFWSA-N 1 0 305.334 1.869 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@]2(O)C[NH+]3CCC2CC3)c1 ZINC000565196690 308024820 /nfs/dbraw/zinc/02/48/20/308024820.db2.gz LJENIQNSWRWVRW-MRXNPFEDSA-N 1 0 319.361 1.090 20 5 DDBDRO C[C@@]1(C[NH3+])CCN(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000566727667 308062111 /nfs/dbraw/zinc/06/21/11/308062111.db2.gz VFOVWBRXRKWWRR-HNNXBMFYSA-N 1 0 322.365 1.354 20 5 DDBDRO COc1ccc(CC(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000567604945 308086171 /nfs/dbraw/zinc/08/61/71/308086171.db2.gz SXWDAQRTFPGZGH-QWHCGFSZSA-N 1 0 321.377 1.780 20 5 DDBDRO CCc1ccc(S(=O)(=O)N[C@@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000569100132 308132995 /nfs/dbraw/zinc/13/29/95/308132995.db2.gz ZNBVNWSBTQBIDM-JTQLQIEISA-N 1 0 315.395 1.386 20 5 DDBDRO Cn1cc([C@@H]2C[N@H+](CCn3ccc([N+](=O)[O-])n3)CC2(C)C)cn1 ZINC000573264018 308235020 /nfs/dbraw/zinc/23/50/20/308235020.db2.gz QGWUQZYOUOGEFW-ZDUSSCGKSA-N 1 0 318.381 1.650 20 5 DDBDRO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C[C@H](C)[NH2+]1 ZINC000573594815 308246147 /nfs/dbraw/zinc/24/61/47/308246147.db2.gz GMLKCYJOQGMSCP-UWVGGRQHSA-N 1 0 321.333 1.188 20 5 DDBDRO [NH3+]C[C@H]1c2ccccc2CCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000573922590 308256039 /nfs/dbraw/zinc/25/60/39/308256039.db2.gz IDFAJUQIQXSRNR-LBPRGKRZSA-N 1 0 301.302 1.886 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H](CC[NH3+])C(F)F)c1 ZINC000575802015 308279779 /nfs/dbraw/zinc/27/97/79/308279779.db2.gz DQRVYJHHBVITJY-SECBINFHSA-N 1 0 303.265 1.316 20 5 DDBDRO Cc1n[nH]c(C(=O)N2CCc3ccccc3[C@@H]2C[NH3+])c1[N+](=O)[O-] ZINC000576400198 308311974 /nfs/dbraw/zinc/31/19/74/308311974.db2.gz AJPVBOKXPZISKV-LBPRGKRZSA-N 1 0 315.333 1.325 20 5 DDBDRO CC1(C)CC[N@H+](CC(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000577189169 308369273 /nfs/dbraw/zinc/36/92/73/308369273.db2.gz QSOWZUPVCZQIGE-UHFFFAOYSA-N 1 0 305.378 1.985 20 5 DDBDRO COc1nccc(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)n1 ZINC000577466663 308389916 /nfs/dbraw/zinc/38/99/16/308389916.db2.gz VSTUNVXUXMKYLT-UHFFFAOYSA-N 1 0 304.306 1.562 20 5 DDBDRO COc1ccc(CC(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000578231390 308447509 /nfs/dbraw/zinc/44/75/09/308447509.db2.gz PWBWTFDXMBUAIG-YPMHNXCESA-N 1 0 321.377 1.589 20 5 DDBDRO CC(C)C1CCC([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000578232450 308447700 /nfs/dbraw/zinc/44/77/00/308447700.db2.gz SXWAAJYXZKXWRO-PIMMBPRGSA-N 1 0 310.398 1.957 20 5 DDBDRO [NH3+]C1CCN(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000578306068 308452063 /nfs/dbraw/zinc/45/20/63/308452063.db2.gz KLDCCBXXPKKAHM-UHFFFAOYSA-N 1 0 308.338 1.106 20 5 DDBDRO COC(=O)c1cc(NC(=O)[C@H]2CC[NH2+][C@@H]2C)cc([N+](=O)[O-])c1 ZINC000579110485 308507972 /nfs/dbraw/zinc/50/79/72/308507972.db2.gz WUDLWROMDKAALL-PELKAZGASA-N 1 0 307.306 1.318 20 5 DDBDRO C[C@H](NC(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1cccc([N+](=O)[O-])c1 ZINC001120661060 782079987 /nfs/dbraw/zinc/07/99/87/782079987.db2.gz ZTYNXCQWTXGHIQ-BNQQVVLKSA-N 1 0 304.350 1.848 20 5 DDBDRO Cc1n[nH]cc1C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000582355296 326017299 /nfs/dbraw/zinc/01/72/99/326017299.db2.gz FTTHJJAIWXMRMU-LBPRGKRZSA-N 1 0 306.322 1.156 20 5 DDBDRO CC[NH2+]CCCNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000582903726 337213466 /nfs/dbraw/zinc/21/34/66/337213466.db2.gz GYRPYMMOOGVFSO-UHFFFAOYSA-N 1 0 320.393 1.924 20 5 DDBDRO O=[N+]([O-])c1ccc2ncnc(NC[C@H]3CSCC[NH2+]3)c2c1 ZINC000603418990 483933970 /nfs/dbraw/zinc/93/39/70/483933970.db2.gz KQUUZNYVYSIMGU-VIFPVBQESA-N 1 0 305.363 1.655 20 5 DDBDRO COCC[N@H+](C)CCNC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000209700669 484136933 /nfs/dbraw/zinc/13/69/33/484136933.db2.gz IGTGBAFALUPENP-FPLPWBNLSA-N 1 0 307.350 1.302 20 5 DDBDRO C[C@@H]1[C@@H](CO)CC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000488728931 484215955 /nfs/dbraw/zinc/21/59/55/484215955.db2.gz IVLIYSNHWQLVRT-BZPMIXESSA-N 1 0 310.350 1.037 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000307801007 484376819 /nfs/dbraw/zinc/37/68/19/484376819.db2.gz AXVWEHJRPXGBKS-JTQLQIEISA-N 1 0 305.256 1.913 20 5 DDBDRO C[C@H]([NH2+]CCN1C(=O)N[C@@H](C)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000459399593 533856454 /nfs/dbraw/zinc/85/64/54/533856454.db2.gz VNELZJINRDDBPP-UWVGGRQHSA-N 1 0 306.322 1.186 20 5 DDBDRO COC(=O)c1cccc(OC[C@@H](O)C[N@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000414163801 534280094 /nfs/dbraw/zinc/28/00/94/534280094.db2.gz GOUIPMMWBHIYEH-NSHDSACASA-N 1 0 324.333 1.215 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000415469931 534337498 /nfs/dbraw/zinc/33/74/98/534337498.db2.gz XLHARWUYXXWYRY-JQWIXIFHSA-N 1 0 320.349 1.037 20 5 DDBDRO NC(=O)NC(=O)CC[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451544109 534382229 /nfs/dbraw/zinc/38/22/29/534382229.db2.gz DSGSLGLXDQQQQS-GFCCVEGCSA-N 1 0 320.349 1.359 20 5 DDBDRO Cc1nc(N(CC[NH+](C)C)Cc2ccco2)ncc1[N+](=O)[O-] ZINC000297600513 534439033 /nfs/dbraw/zinc/43/90/33/534439033.db2.gz UUXODBDLZJNANF-UHFFFAOYSA-N 1 0 305.338 1.854 20 5 DDBDRO CC[NH+]1CCC(N(C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000157462722 521564851 /nfs/dbraw/zinc/56/48/51/521564851.db2.gz BIENXUYBHOSLSD-UHFFFAOYSA-N 1 0 320.393 1.610 20 5 DDBDRO CN([C@H](C[NH3+])C1CC1)S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000159940879 523625767 /nfs/dbraw/zinc/62/57/67/523625767.db2.gz PMPTYCZAPZBZJP-SNVBAGLBSA-N 1 0 317.342 1.092 20 5 DDBDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1c([N+](=O)[O-])cnn1C ZINC000163751531 524365681 /nfs/dbraw/zinc/36/56/81/524365681.db2.gz AWTGRDSSMQMUJK-IJLUTSLNSA-N 1 0 323.397 1.425 20 5 DDBDRO CC(C)OC[C@@H](CO)[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000433266840 528010465 /nfs/dbraw/zinc/01/04/65/528010465.db2.gz BRZGMOQSBOHKKF-CYBMUJFWSA-N 1 0 312.366 1.691 20 5 DDBDRO CC(C)c1ccc(C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)cc1[N+](=O)[O-] ZINC000423683193 528070877 /nfs/dbraw/zinc/07/08/77/528070877.db2.gz WOKQAPFQYVKAJP-FZMZJTMJSA-N 1 0 307.350 1.028 20 5 DDBDRO CCOc1cc(N2C[C@H](C)[N@H+](CCO)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000419007324 528313815 /nfs/dbraw/zinc/31/38/15/528313815.db2.gz RKITYCALSFULKG-QWHCGFSZSA-N 1 0 323.393 1.885 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000423618646 528694203 /nfs/dbraw/zinc/69/42/03/528694203.db2.gz HLPKCJOYIXYJJM-GHMZBOCLSA-N 1 0 307.350 1.864 20 5 DDBDRO CC[NH+]1CCN(C[C@@H](C)CNc2ncc([N+](=O)[O-])c(C)n2)CC1 ZINC000294776215 529147001 /nfs/dbraw/zinc/14/70/01/529147001.db2.gz ABILGWYCHUZBHU-LBPRGKRZSA-N 1 0 322.413 1.379 20 5 DDBDRO CC[C@H]1[C@@H](CO)CC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000451261675 529339672 /nfs/dbraw/zinc/33/96/72/529339672.db2.gz WDGFJIVZOJCWDU-DOMZBBRYSA-N 1 0 321.377 1.935 20 5 DDBDRO CC[N@@H+]1C[C@@H](C)[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000821242873 606732197 /nfs/dbraw/zinc/73/21/97/606732197.db2.gz XGIKUCLABASLQB-NOZJJQNGSA-N 1 0 317.353 1.527 20 5 DDBDRO C[C@H]([NH2+]CC(=O)NCc1ccccn1)c1cccc([N+](=O)[O-])c1 ZINC000746048398 700003581 /nfs/dbraw/zinc/00/35/81/700003581.db2.gz HUUGSOHMROGPJM-LBPRGKRZSA-N 1 0 314.345 1.957 20 5 DDBDRO COc1cc(C[NH2+]CCC[S@](C)=O)c([N+](=O)[O-])cc1O ZINC000116918451 696669002 /nfs/dbraw/zinc/66/90/02/696669002.db2.gz UILLUPVYXOIJPL-HXUWFJFHSA-N 1 0 302.352 1.167 20 5 DDBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NC(C)(C)C[NH3+] ZINC000123729247 696734357 /nfs/dbraw/zinc/73/43/57/696734357.db2.gz FAYCQIQAGMLYHW-UHFFFAOYSA-N 1 0 321.786 1.572 20 5 DDBDRO C[NH2+]CCN(C)S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C ZINC000133787648 696830321 /nfs/dbraw/zinc/83/03/21/696830321.db2.gz LAIGIPWNDGBKDW-UHFFFAOYSA-N 1 0 321.786 1.397 20 5 DDBDRO C[N@@H+]1CCCC[C@H]1CCOC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000748487046 700121449 /nfs/dbraw/zinc/12/14/49/700121449.db2.gz VQYUPMJHXWLPSM-LBPRGKRZSA-N 1 0 323.349 1.174 20 5 DDBDRO C[C@@](C[NH3+])(NC(=O)COc1ccc([N+](=O)[O-])c(F)c1)C1CC1 ZINC000154908382 696939684 /nfs/dbraw/zinc/93/96/84/696939684.db2.gz CNCPNTSRLFRUKE-AWEZNQCLSA-N 1 0 311.313 1.356 20 5 DDBDRO C[NH+](C)[C@@H]1Cc2ccccc2N(Cn2cc([N+](=O)[O-])cn2)C1 ZINC000158527331 696991409 /nfs/dbraw/zinc/99/14/09/696991409.db2.gz IDEHWCKPUZAZLE-CYBMUJFWSA-N 1 0 301.350 1.742 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000748714370 700131930 /nfs/dbraw/zinc/13/19/30/700131930.db2.gz LLTOOUYKTQVEFI-GFCCVEGCSA-N 1 0 323.397 1.480 20 5 DDBDRO Cc1nn(CN2CCC[C@H]2C[NH+]2CCCC2)c(C)c1[N+](=O)[O-] ZINC000172485880 697367826 /nfs/dbraw/zinc/36/78/26/697367826.db2.gz SNMPSFZPGMWFHW-AWEZNQCLSA-N 1 0 307.398 1.926 20 5 DDBDRO Cc1nc2n(n1)C[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000776273825 698090413 /nfs/dbraw/zinc/09/04/13/698090413.db2.gz ADKRUVAYIABWBR-OCCSQVGLSA-N 1 0 317.349 1.133 20 5 DDBDRO CCO[C@@H]1COCC[C@@H]1[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000776484392 698109588 /nfs/dbraw/zinc/10/95/88/698109588.db2.gz GIVFMAMRGXXSAR-SOUVJXGZSA-N 1 0 310.350 1.412 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCSC[C@H]2CCO)cc1 ZINC000776585906 698122099 /nfs/dbraw/zinc/12/20/99/698122099.db2.gz CTBGIDVLTUBFEA-ZIAGYGMSSA-N 1 0 312.391 1.428 20 5 DDBDRO O=C1NCC2(CC[NH+](C[C@H](O)c3cccc([N+](=O)[O-])c3)CC2)O1 ZINC000782003004 698672019 /nfs/dbraw/zinc/67/20/19/698672019.db2.gz CHCLGLGZGSZLFJ-ZDUSSCGKSA-N 1 0 321.333 1.203 20 5 DDBDRO CC(C)([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CCOCC1 ZINC000786167465 699130785 /nfs/dbraw/zinc/13/07/85/699130785.db2.gz NIHNUYYQKXYKLJ-UHFFFAOYSA-N 1 0 321.377 1.989 20 5 DDBDRO CCCc1n[nH]c(C(=O)N2CC[C@]3(CCC[NH2+]3)C2)c1[N+](=O)[O-] ZINC000424023267 699147201 /nfs/dbraw/zinc/14/72/01/699147201.db2.gz FJWPWKLCQBBFAB-CQSZACIVSA-N 1 0 307.354 1.239 20 5 DDBDRO O=C(OCCn1cc([N+](=O)[O-])cn1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000786878705 699176481 /nfs/dbraw/zinc/17/64/81/699176481.db2.gz GIDXRNKAIZAUMU-AWEZNQCLSA-N 1 0 322.365 1.742 20 5 DDBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])ccc2N)C[C@@H]1C ZINC000787187634 699194808 /nfs/dbraw/zinc/19/48/08/699194808.db2.gz TUFJOXFXHPPYAT-WDEREUQCSA-N 1 0 306.366 1.732 20 5 DDBDRO COC(=O)[C@@H]1CC[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)[C@H]1C ZINC000787237361 699198983 /nfs/dbraw/zinc/19/89/83/699198983.db2.gz FTZVOTUFUCVZTN-GXFFZTMASA-N 1 0 318.333 1.785 20 5 DDBDRO O=C(CCn1cc([N+](=O)[O-])cn1)O[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000788114518 699279760 /nfs/dbraw/zinc/27/97/60/699279760.db2.gz FCOOEUVZPJXXTJ-DGCLKSJQSA-N 1 0 308.338 1.351 20 5 DDBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000725374563 699331246 /nfs/dbraw/zinc/33/12/46/699331246.db2.gz PXUYMFWRGVKPMN-WDEREUQCSA-N 1 0 311.363 1.110 20 5 DDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)cc1 ZINC000725373218 699331551 /nfs/dbraw/zinc/33/15/51/699331551.db2.gz CZPZIHPFRGEJST-QWHCGFSZSA-N 1 0 311.363 1.110 20 5 DDBDRO CC(C)(O)C[NH+]1CCN(c2nc3ccccn3c2[N+](=O)[O-])CC1 ZINC000726868084 699386766 /nfs/dbraw/zinc/38/67/66/699386766.db2.gz VYAITSNTVKTEDY-UHFFFAOYSA-N 1 0 319.365 1.135 20 5 DDBDRO COc1cccc(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000790960855 699604814 /nfs/dbraw/zinc/60/48/14/699604814.db2.gz JAGDPFOOJDEJEZ-AWEZNQCLSA-N 1 0 303.318 1.822 20 5 DDBDRO CN(C)S(=O)(=O)CC[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000811520740 701996190 /nfs/dbraw/zinc/99/61/90/701996190.db2.gz UFBVMYQYCSWVRW-UHFFFAOYSA-N 1 0 321.786 1.229 20 5 DDBDRO CC(C)(NC[C@@H](O)C[NH+]1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000795222355 699852541 /nfs/dbraw/zinc/85/25/41/699852541.db2.gz SGPGIEKUKCSRMX-CYBMUJFWSA-N 1 0 307.394 1.876 20 5 DDBDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000801854264 700346531 /nfs/dbraw/zinc/34/65/31/700346531.db2.gz GBPGYDDJDXILGI-SNVBAGLBSA-N 1 0 324.356 1.776 20 5 DDBDRO CNC(=O)CCC[N@H+](C)Cn1nc(C)c2cc([N+](=O)[O-])ccc21 ZINC000753805062 700458416 /nfs/dbraw/zinc/45/84/16/700458416.db2.gz KFRUZRHRPTZLMV-UHFFFAOYSA-N 1 0 319.365 1.668 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000761711011 700867747 /nfs/dbraw/zinc/86/77/47/700867747.db2.gz IVKRFSOUHDXMDC-SECBINFHSA-N 1 0 305.256 1.641 20 5 DDBDRO CC1=CC[N@H+](CCNC(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000762708805 700903608 /nfs/dbraw/zinc/90/36/08/700903608.db2.gz ZRPIJBOXOWIZKD-UHFFFAOYSA-N 1 0 304.350 1.559 20 5 DDBDRO C[C@@H]([NH2+][C@@H](CCO)C1CC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000763059633 700923022 /nfs/dbraw/zinc/92/30/22/700923022.db2.gz PVGFHZJELCRPLG-PWSUYJOCSA-N 1 0 307.350 1.672 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](CO)C1CC1 ZINC000763063253 700923338 /nfs/dbraw/zinc/92/33/38/700923338.db2.gz BCRRJNYFWHYJIK-CQSZACIVSA-N 1 0 307.350 1.592 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](CO)C1CC1 ZINC000763063251 700923395 /nfs/dbraw/zinc/92/33/95/700923395.db2.gz BCRRJNYFWHYJIK-AWEZNQCLSA-N 1 0 307.350 1.592 20 5 DDBDRO CN1CC[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000765766071 701026504 /nfs/dbraw/zinc/02/65/04/701026504.db2.gz AWODOWWHCVSSNR-AWEZNQCLSA-N 1 0 304.394 1.857 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H](CCO)c2ccco2)cc1 ZINC000769223239 701237248 /nfs/dbraw/zinc/23/72/48/701237248.db2.gz SOJPSENLYUKFRH-ZIAGYGMSSA-N 1 0 306.318 1.935 20 5 DDBDRO C[C@H]([NH2+]C[C@@H](CO)c1cccnc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815626420 701905406 /nfs/dbraw/zinc/90/54/06/701905406.db2.gz CUGIMMDTAPVTRS-FZMZJTMJSA-N 1 0 316.361 1.999 20 5 DDBDRO COCCC1(NC(=O)c2cccc([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000868038798 701905770 /nfs/dbraw/zinc/90/57/70/701905770.db2.gz CBAQPSNXSCQSNO-UHFFFAOYSA-N 1 0 307.350 1.483 20 5 DDBDRO Cc1nn(CN2C[C@@H](C)[N@H+](C)[C@@H](C)C2)c2ncc([N+](=O)[O-])cc12 ZINC000840090641 701962822 /nfs/dbraw/zinc/96/28/22/701962822.db2.gz RKYXGGRZUOMTEG-PHIMTYICSA-N 1 0 318.381 1.630 20 5 DDBDRO CO[C@@H]1C[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@@](C)(CO)C1 ZINC000879261386 706633220 /nfs/dbraw/zinc/63/32/20/706633220.db2.gz JMGVNWZFIXPNRL-RRFJBIMHSA-N 1 0 310.350 1.100 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NCCCCCC[NH3+] ZINC000831109961 706636324 /nfs/dbraw/zinc/63/63/24/706636324.db2.gz BKNQNBUFFZYUOJ-UHFFFAOYSA-N 1 0 324.381 1.922 20 5 DDBDRO Cc1ccc(CNC(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000868366317 702089955 /nfs/dbraw/zinc/08/99/55/702089955.db2.gz PSDWMCDHNRBYRK-CYBMUJFWSA-N 1 0 318.377 1.939 20 5 DDBDRO CN1CC[NH+](C2CCN(c3ccsc3[N+](=O)[O-])CC2)CC1 ZINC000866210742 706650129 /nfs/dbraw/zinc/65/01/29/706650129.db2.gz BKZDGBNZVKVSDH-UHFFFAOYSA-N 1 0 310.423 1.873 20 5 DDBDRO CN(CC[NH+]1CC2(C1)CCOCC2)c1ccc([N+](=O)[O-])cn1 ZINC000866257087 706659358 /nfs/dbraw/zinc/65/93/58/706659358.db2.gz RTTBIWAKVYACTL-UHFFFAOYSA-N 1 0 306.366 1.538 20 5 DDBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1CCC(=O)N(C)C1 ZINC000866268634 706661799 /nfs/dbraw/zinc/66/17/99/706661799.db2.gz AIDOQAMNLRDTLZ-ZWNOBZJWSA-N 1 0 309.341 1.875 20 5 DDBDRO CN(C[C@H]1CCC[N@@H+]1C)Cn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000817374757 702361575 /nfs/dbraw/zinc/36/15/75/702361575.db2.gz VKXVOCPPFBBPFI-GFCCVEGCSA-N 1 0 320.349 1.486 20 5 DDBDRO C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C[C@H]1C[NH3+] ZINC000818008145 702551533 /nfs/dbraw/zinc/55/15/33/702551533.db2.gz DSJQUOTVIWYZFI-NWDGAFQWSA-N 1 0 320.393 1.718 20 5 DDBDRO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000818017219 702555153 /nfs/dbraw/zinc/55/51/53/702555153.db2.gz XTTUQWFASWGBBG-HNNXBMFYSA-N 1 0 315.333 1.439 20 5 DDBDRO CNc1ccc(C(=O)N2CC[C@]3(CCC[NH2+]3)C2)cc1[N+](=O)[O-] ZINC000818017693 702555698 /nfs/dbraw/zinc/55/56/98/702555698.db2.gz OGQPUUHHXCGRBP-OAHLLOKOSA-N 1 0 304.350 1.605 20 5 DDBDRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1c1nc2ccccn2c1[N+](=O)[O-] ZINC000842047202 702663472 /nfs/dbraw/zinc/66/34/72/702663472.db2.gz MISZGXMZKAQFID-VXGBXAGGSA-N 1 0 319.365 1.134 20 5 DDBDRO Cc1cc(S(=O)(=O)N2CC[C@H]([NH3+])[C@@H]2C)cc([N+](=O)[O-])c1F ZINC000842480787 702726593 /nfs/dbraw/zinc/72/65/93/702726593.db2.gz CUMQVCMOTOBRSB-WPRPVWTQSA-N 1 0 317.342 1.153 20 5 DDBDRO CC(C)[N@@H+]1CCC[C@@H](COC(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000842832238 702781402 /nfs/dbraw/zinc/78/14/02/702781402.db2.gz BLMGPPDXEBVNHH-GFCCVEGCSA-N 1 0 310.354 1.455 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@@H](O)c2ccccn2)c1 ZINC000843092756 702817464 /nfs/dbraw/zinc/81/74/64/702817464.db2.gz DQACUHKOPWMWLQ-HUUCEWRRSA-N 1 0 303.318 1.346 20 5 DDBDRO [NH3+]C[C@@H]1CCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC000843327059 702860172 /nfs/dbraw/zinc/86/01/72/702860172.db2.gz BQEQPNSOXFLYLX-QMMMGPOBSA-N 1 0 315.732 1.737 20 5 DDBDRO CCC[NH2+]CCNC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000843453494 702885219 /nfs/dbraw/zinc/88/52/19/702885219.db2.gz SJUJNUANUWUWMV-UHFFFAOYSA-N 1 0 310.310 1.541 20 5 DDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000843454829 702885486 /nfs/dbraw/zinc/88/54/86/702885486.db2.gz YXWWABVADZBPPZ-UHFFFAOYSA-N 1 0 304.350 1.393 20 5 DDBDRO CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CC[C@@H]1[NH3+] ZINC000843470759 702888472 /nfs/dbraw/zinc/88/84/72/702888472.db2.gz BYEHZOGAMFIFJU-RISCZKNCSA-N 1 0 320.393 1.860 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CC[NH2+][C@@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000843473192 702888795 /nfs/dbraw/zinc/88/87/95/702888795.db2.gz IOAHMRQRIDDVGI-UWVGGRQHSA-N 1 0 322.321 1.634 20 5 DDBDRO CC[N@H+](CCO)CCNC(=O)c1c(C)c(F)ccc1[N+](=O)[O-] ZINC000843858240 702934474 /nfs/dbraw/zinc/93/44/74/702934474.db2.gz SZTHHRRIFOKOGG-UHFFFAOYSA-N 1 0 313.329 1.086 20 5 DDBDRO C[C@@H]([NH2+]C[C@H]1CC(=O)N(C2CC2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000846206652 703250910 /nfs/dbraw/zinc/25/09/10/703250910.db2.gz RTDWELPSLZJXEF-GHMZBOCLSA-N 1 0 318.377 1.839 20 5 DDBDRO C[C@H]([NH2+]CC[C@]1(O)CCCOC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000846215269 703251978 /nfs/dbraw/zinc/25/19/78/703251978.db2.gz ZSGZMETWKWCRQV-XHDPSFHLSA-N 1 0 309.366 1.759 20 5 DDBDRO C[N@@H+]1CC[C@@H](CCOC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000847823445 703473095 /nfs/dbraw/zinc/47/30/95/703473095.db2.gz FFSYFYXGXQIOSY-LBPRGKRZSA-N 1 0 308.334 1.859 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000848439576 703550745 /nfs/dbraw/zinc/55/07/45/703550745.db2.gz SBIHNUGEIQIRPC-JTQLQIEISA-N 1 0 320.271 1.280 20 5 DDBDRO C[NH2+]C[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C ZINC000850594569 703738710 /nfs/dbraw/zinc/73/87/10/703738710.db2.gz RVUZGDCTFUXEGV-MRVPVSSYSA-N 1 0 321.786 1.443 20 5 DDBDRO C[NH2+]C[C@@H](C)NS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000850593823 703738777 /nfs/dbraw/zinc/73/87/77/703738777.db2.gz GGBDLYKAMJJNKZ-MRVPVSSYSA-N 1 0 321.786 1.443 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000869777318 703848508 /nfs/dbraw/zinc/84/85/08/703848508.db2.gz MNSHKQQCERWLLJ-LBPRGKRZSA-N 1 0 321.377 1.478 20 5 DDBDRO CC[NH2+][C@H](C)CNC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000818582260 703929998 /nfs/dbraw/zinc/92/99/98/703929998.db2.gz JIBDBQVRODWPLK-MRVPVSSYSA-N 1 0 324.337 1.848 20 5 DDBDRO Cc1nn(CCC(=O)N2CC[C@]3(CCC[NH2+]3)C2)c(C)c1[N+](=O)[O-] ZINC000818611275 703940126 /nfs/dbraw/zinc/94/01/26/703940126.db2.gz HGQRNIPEVWBUKL-OAHLLOKOSA-N 1 0 321.381 1.153 20 5 DDBDRO CCO[C@H](CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C[NH+](C)C ZINC000831776987 706777415 /nfs/dbraw/zinc/77/74/15/706777415.db2.gz OLYQDDHLOBWBFR-JOZWUWCOSA-N 1 0 321.377 1.691 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CC[C@@H](Cn3ccnn3)C2)cc1 ZINC000852313493 704007441 /nfs/dbraw/zinc/00/74/41/704007441.db2.gz IHIBQZHFUCGHFS-DOMZBBRYSA-N 1 0 317.349 1.242 20 5 DDBDRO C[C@@]12COC[C@]1(C)C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC000852462033 704054144 /nfs/dbraw/zinc/05/41/44/704054144.db2.gz DVBMLBUWUZIDOQ-HRCADAONSA-N 1 0 306.362 1.987 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H]2CCc3c[nH]nc3C2)c1 ZINC000819155072 704077581 /nfs/dbraw/zinc/07/75/81/704077581.db2.gz OKXGSMGTSRQLQO-SWLSCSKDSA-N 1 0 302.334 1.498 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[NH2+]C[C@H](O)c2cc(F)ccc2F)c1 ZINC000819177792 704082090 /nfs/dbraw/zinc/08/20/90/704082090.db2.gz VYHJQXGEORLTLA-ZDUSSCGKSA-N 1 0 312.276 1.393 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]Cc1cccc(F)n1 ZINC000819182756 704082860 /nfs/dbraw/zinc/08/28/60/704082860.db2.gz HYPZYQKZYPDZPF-LBPRGKRZSA-N 1 0 321.308 1.658 20 5 DDBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H]3COC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000852664839 704095965 /nfs/dbraw/zinc/09/59/65/704095965.db2.gz DNQGDSFIORBDOF-VXGBXAGGSA-N 1 0 307.306 1.971 20 5 DDBDRO O=[N+]([O-])c1ccc(CN2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc1F ZINC000852708127 704103284 /nfs/dbraw/zinc/10/32/84/704103284.db2.gz RJDMDSLDLQJSJW-AWEZNQCLSA-N 1 0 323.368 1.765 20 5 DDBDRO O=C(NCCNc1ccccc1[N+](=O)[O-])[C@H]1[NH2+]CC12CCCC2 ZINC000852775852 704121362 /nfs/dbraw/zinc/12/13/62/704121362.db2.gz BWBMIYZUKBXYMD-CQSZACIVSA-N 1 0 318.377 1.655 20 5 DDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000819643545 704155696 /nfs/dbraw/zinc/15/56/96/704155696.db2.gz XYRSOQXDLCWRTH-ZJIFWQFVSA-N 1 0 315.373 1.385 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)NCC2([NH3+])CCCC2)cc1[N+](=O)[O-] ZINC000852905910 704168935 /nfs/dbraw/zinc/16/89/35/704168935.db2.gz HSYGFTGHEPXLKH-UHFFFAOYSA-N 1 0 322.321 1.813 20 5 DDBDRO CN(c1ccccc1)[C@@H]1CCN(Cn2nccc2[N+](=O)[O-])C1 ZINC000853585517 704276065 /nfs/dbraw/zinc/27/60/65/704276065.db2.gz QHZQGIOCMHCEEW-CQSZACIVSA-N 1 0 301.350 1.960 20 5 DDBDRO CCC[N@H+](C)CC(C)(C)NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000856280689 704521359 /nfs/dbraw/zinc/52/13/59/704521359.db2.gz BJOAFUMAGSEIPC-UHFFFAOYSA-N 1 0 309.370 1.422 20 5 DDBDRO CN(CC(C)(C)[NH3+])C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857766590 704622484 /nfs/dbraw/zinc/62/24/84/704622484.db2.gz PNPKAGKWCNDHMU-UHFFFAOYSA-N 1 0 317.292 1.762 20 5 DDBDRO O=C(Nc1ccc([N+](=O)[O-])cc1F)N[C@H]1C[NH2+]CCC1(F)F ZINC000857768797 704623067 /nfs/dbraw/zinc/62/30/67/704623067.db2.gz ZMVRZIILTMXGLO-JTQLQIEISA-N 1 0 318.255 1.853 20 5 DDBDRO O=C(NC[C@@H]1COCC[NH2+]1)Nc1cccc([N+](=O)[O-])c1Cl ZINC000859686912 704973705 /nfs/dbraw/zinc/97/37/05/704973705.db2.gz XRDQLALILDFDGA-MRVPVSSYSA-N 1 0 314.729 1.358 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000874457157 705074273 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5 DDBDRO CO[C@@H]1C[N@H+](C)[C@@](C)(COC(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000861343132 705434933 /nfs/dbraw/zinc/43/49/33/705434933.db2.gz YYEATNIWWZEMQO-XHDPSFHLSA-N 1 0 323.349 1.443 20 5 DDBDRO C[N@@H+]1C[C@H]2CCN(C(=O)NCCc3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000893877407 710870666 /nfs/dbraw/zinc/87/06/66/710870666.db2.gz WRCHCWUTQHRLMY-UKRRQHHQSA-N 1 0 318.377 1.483 20 5 DDBDRO O=C(c1cc([N+](=O)[O-])ccc1F)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000861718167 705549466 /nfs/dbraw/zinc/54/94/66/705549466.db2.gz WMWSWAOTWQTABW-NEPJUHHUSA-N 1 0 323.324 1.015 20 5 DDBDRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000825196533 705622657 /nfs/dbraw/zinc/62/26/57/705622657.db2.gz IHGUYJBFSVCJCD-NXEZZACHSA-N 1 0 311.313 1.356 20 5 DDBDRO CC[NH+](CC)CCOC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000825255800 705634082 /nfs/dbraw/zinc/63/40/82/705634082.db2.gz QSQURFNTVYYQBE-UHFFFAOYSA-N 1 0 323.349 1.210 20 5 DDBDRO C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000876612693 705784348 /nfs/dbraw/zinc/78/43/48/705784348.db2.gz TXLQOECYVDOGAB-FGTRRKKMSA-N 1 0 319.361 1.631 20 5 DDBDRO O=C(NCC[N@H+]1CC[C@@H](O)C1)c1cccc([N+](=O)[O-])c1Cl ZINC000863318921 705899845 /nfs/dbraw/zinc/89/98/45/705899845.db2.gz XZCIVSFPVUVRSX-SECBINFHSA-N 1 0 313.741 1.045 20 5 DDBDRO COc1cc(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)ccn1 ZINC000877014444 705959187 /nfs/dbraw/zinc/95/91/87/705959187.db2.gz ARUFGJIOVOBEGF-UHFFFAOYSA-N 1 0 303.322 1.688 20 5 DDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@H]3c4ccccc4C[C@@H]3O)C2)c1 ZINC000877092963 705980946 /nfs/dbraw/zinc/98/09/46/705980946.db2.gz BTXQZUJXSMHDFZ-INCPQMAJSA-N 1 0 314.345 1.743 20 5 DDBDRO C[C@@H]([NH3+])CN(C)C(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000877106089 705985739 /nfs/dbraw/zinc/98/57/39/705985739.db2.gz POPNDYZRGOBVND-SSDOTTSWSA-N 1 0 316.155 1.777 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)COc3ccccc3[N+](=O)[O-])CC[C@H]21 ZINC000827374766 705988826 /nfs/dbraw/zinc/98/88/26/705988826.db2.gz PUIPHAFKSICHDQ-CHWSQXEVSA-N 1 0 319.361 1.526 20 5 DDBDRO CC1(C)CC[C@H](CNC(=O)CNc2ccccc2[N+](=O)[O-])[NH2+]C1 ZINC000877156261 706000399 /nfs/dbraw/zinc/00/03/99/706000399.db2.gz TVDWYGBLQBJYQF-GFCCVEGCSA-N 1 0 320.393 1.901 20 5 DDBDRO COc1cc(C(=O)N[C@@]23CCC[C@H]2[NH2+]CC3)cc([N+](=O)[O-])c1C ZINC000877388898 706091738 /nfs/dbraw/zinc/09/17/38/706091738.db2.gz HHMLNGJKRSJVOW-GDBMZVCRSA-N 1 0 319.361 1.926 20 5 DDBDRO CCOC(=O)N1CC[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000877401640 706096941 /nfs/dbraw/zinc/09/69/41/706096941.db2.gz KGEMMEAEDJENHF-ZDUSSCGKSA-N 1 0 307.350 1.958 20 5 DDBDRO CC[N@@H+]1C[C@H](C)N(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000828095281 706117262 /nfs/dbraw/zinc/11/72/62/706117262.db2.gz LWXFGHNKNAAQTN-SLEUVZQESA-N 1 0 321.377 1.569 20 5 DDBDRO CN1C(=O)[C@H]2C[N@H+](C/C=C/c3ccccc3[N+](=O)[O-])C[C@H]2C1=O ZINC000877720289 706188656 /nfs/dbraw/zinc/18/86/56/706188656.db2.gz NFRZRGFBHAZIHK-KMUUFKDPSA-N 1 0 315.329 1.155 20 5 DDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@@H]3CCCn4nccc43)C2)c1 ZINC000877778388 706207953 /nfs/dbraw/zinc/20/79/53/706207953.db2.gz OBRNQNOULBGXDT-GCZXYKMCSA-N 1 0 302.338 1.816 20 5 DDBDRO COCCC[N@H+](C)CCNc1cc(F)c([N+](=O)[O-])cc1CO ZINC000865559729 706463567 /nfs/dbraw/zinc/46/35/67/706463567.db2.gz YLIREBUMXSOGCQ-UHFFFAOYSA-N 1 0 315.345 1.606 20 5 DDBDRO CCO[C@H](CNC(=O)Nc1cc([N+](=O)[O-])ccc1C)C[NH+](C)C ZINC000926826105 712908039 /nfs/dbraw/zinc/90/80/39/712908039.db2.gz WTFLNLAUCUXNSJ-CYBMUJFWSA-N 1 0 324.381 1.991 20 5 DDBDRO C[C@H]1[C@H]([NH+](C)C)CCN1S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000867307884 706954920 /nfs/dbraw/zinc/95/49/20/706954920.db2.gz DQPLNOAVOBHSPB-WCBMZHEXSA-N 1 0 319.408 1.369 20 5 DDBDRO COc1ccc(C[N@H+](CCO)CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000880571072 707022123 /nfs/dbraw/zinc/02/21/23/707022123.db2.gz KXKCEPFJURHGDW-UHFFFAOYSA-N 1 0 320.349 1.294 20 5 DDBDRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2c1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000872779585 707597107 /nfs/dbraw/zinc/59/71/07/707597107.db2.gz GTERTWXKJNRIIW-UONOGXRCSA-N 1 0 306.366 1.342 20 5 DDBDRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2c1nc2ccccn2c1[N+](=O)[O-] ZINC000872781394 707597407 /nfs/dbraw/zinc/59/74/07/707597407.db2.gz SNOOOTIVEXZASB-VXGBXAGGSA-N 1 0 301.350 1.915 20 5 DDBDRO Cc1c(C[NH2+][C@H]2CCc3c(nnn3C)C2)cccc1[N+](=O)[O-] ZINC000873132983 707744004 /nfs/dbraw/zinc/74/40/04/707744004.db2.gz LRSVANWAZCCSDI-LBPRGKRZSA-N 1 0 301.350 1.679 20 5 DDBDRO COC[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCOC1 ZINC000883186847 707950903 /nfs/dbraw/zinc/95/09/03/707950903.db2.gz AJNPTKKHCMMOQD-KBMXLJTQSA-N 1 0 324.377 1.659 20 5 DDBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]CC3CC4(C3)OCCO4)nc2c1 ZINC000896908700 708179102 /nfs/dbraw/zinc/17/91/02/708179102.db2.gz HFFLASKQGBCLOE-UHFFFAOYSA-N 1 0 319.317 1.979 20 5 DDBDRO Nc1ccc(N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)c([N+](=O)[O-])c1 ZINC000897219934 708257831 /nfs/dbraw/zinc/25/78/31/708257831.db2.gz QIXSAFORLSYVGA-CHWSQXEVSA-N 1 0 306.366 1.212 20 5 DDBDRO Nc1c(F)c(N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)ccc1[N+](=O)[O-] ZINC000897221450 708259602 /nfs/dbraw/zinc/25/96/02/708259602.db2.gz NBLFYSJHYRECOP-WDEREUQCSA-N 1 0 324.356 1.352 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N(C)CC[N@H+](C)CCO)c1C ZINC000912611253 713049579 /nfs/dbraw/zinc/04/95/79/713049579.db2.gz AOESXHLMMSHHOI-UHFFFAOYSA-N 1 0 309.366 1.208 20 5 DDBDRO O=[N+]([O-])c1ncccc1C[NH+]1CCC(CCO)(CCO)CC1 ZINC000886307566 708739620 /nfs/dbraw/zinc/73/96/20/708739620.db2.gz WEYLUXIPFXWFGL-UHFFFAOYSA-N 1 0 309.366 1.337 20 5 DDBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N1CC([NH+]2CCCC2)C1 ZINC000898613770 708812408 /nfs/dbraw/zinc/81/24/08/708812408.db2.gz DRZGGXANZCGQCN-UHFFFAOYSA-N 1 0 318.377 1.703 20 5 DDBDRO O=C1NCCN1CC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000886744762 708833152 /nfs/dbraw/zinc/83/31/52/708833152.db2.gz GFODOIVVQYSJSD-AWEZNQCLSA-N 1 0 304.350 1.587 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@@H]([NH+](C)C)C23CCC3)n1 ZINC000898833558 708883329 /nfs/dbraw/zinc/88/33/29/708883329.db2.gz VIECBHKWIXLROF-VXGBXAGGSA-N 1 0 321.381 1.414 20 5 DDBDRO O=[N+]([O-])CC[NH2+]C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000899872788 709223890 /nfs/dbraw/zinc/22/38/90/709223890.db2.gz FDUFVGBIBCAIML-JTQLQIEISA-N 1 0 308.256 1.311 20 5 DDBDRO COCC[C@H]1C[NH2+]CCN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000900485707 709618464 /nfs/dbraw/zinc/61/84/64/709618464.db2.gz PRFSXLHDDXMPLS-ZDUSSCGKSA-N 1 0 308.338 1.437 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000890891119 710022046 /nfs/dbraw/zinc/02/20/46/710022046.db2.gz MIXXJPQVUQUFMG-LBPRGKRZSA-N 1 0 311.386 1.192 20 5 DDBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000891409576 710190322 /nfs/dbraw/zinc/19/03/22/710190322.db2.gz HVLAODLDPVTUCV-HOCLYGCPSA-N 1 0 318.377 1.721 20 5 DDBDRO C[C@@H]1CC[N@H+](CCNC(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000893266467 710583139 /nfs/dbraw/zinc/58/31/39/710583139.db2.gz RDDPMBWBZVTTQQ-CYBMUJFWSA-N 1 0 320.393 1.778 20 5 DDBDRO C[C@H]1[C@H](NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC[N@@H+]1C ZINC000928441882 713197260 /nfs/dbraw/zinc/19/72/60/713197260.db2.gz PTMZBRMUWIOEHC-IINYFYTJSA-N 1 0 316.361 1.827 20 5 DDBDRO C[C@@H]1[C@H](NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC[N@@H+]1C ZINC000928444787 713198969 /nfs/dbraw/zinc/19/89/69/713198969.db2.gz MLGGHNJTRINTNB-MWLCHTKSSA-N 1 0 302.334 1.899 20 5 DDBDRO C[C@H]1[C@H](NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CC[N@@H+]1C ZINC000928450126 713202319 /nfs/dbraw/zinc/20/23/19/713202319.db2.gz SHNDEZSYVZZIEP-JOYOIKCWSA-N 1 0 321.333 1.188 20 5 DDBDRO C[C@@H]1[C@H](NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000928452035 713202905 /nfs/dbraw/zinc/20/29/05/713202905.db2.gz MNJPKXBZVBTAQL-IUODEOHRSA-N 1 0 320.393 1.996 20 5 DDBDRO C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000911826917 711017913 /nfs/dbraw/zinc/01/79/13/711017913.db2.gz USWBERFPHHKJGT-AQNFWKISSA-N 1 0 303.362 1.894 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N(CCO)C1CC[NH+](C)CC1 ZINC000911936072 711076533 /nfs/dbraw/zinc/07/65/33/711076533.db2.gz CHMDVAQTAAJXHP-UHFFFAOYSA-N 1 0 321.377 1.432 20 5 DDBDRO C[C@@H](N[C@H]1CC[NH2+]C12CCC2)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000903466615 711135244 /nfs/dbraw/zinc/13/52/44/711135244.db2.gz XFVNFXFQSHJABF-RISCZKNCSA-N 1 0 318.377 1.796 20 5 DDBDRO C[NH+](C)C[C@]1(O)CCN(c2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000895010684 711366048 /nfs/dbraw/zinc/36/60/48/711366048.db2.gz VOBQWWNLHLIDHA-MRXNPFEDSA-N 1 0 316.361 1.646 20 5 DDBDRO CC[C@H](C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C(=O)OC ZINC000895121544 711423801 /nfs/dbraw/zinc/42/38/01/711423801.db2.gz ZCIHYHAHJCPBIS-SNVBAGLBSA-N 1 0 324.333 1.655 20 5 DDBDRO CCn1nc(C)c([N+](=O)[O-])c1N[C@@H](C)[C@H]1C[N@H+](C)CCN1C ZINC000895246338 711463830 /nfs/dbraw/zinc/46/38/30/711463830.db2.gz NBFHJVGEASGMPJ-CMPLNLGQSA-N 1 0 310.402 1.166 20 5 DDBDRO C[C@@H](Nc1ncc([N+](=O)[O-])cc1Cl)[C@@H]1C[N@H+](C)CCN1C ZINC000895248479 711465273 /nfs/dbraw/zinc/46/52/73/711465273.db2.gz LYUYYPNWFLNRFB-SKDRFNHKSA-N 1 0 313.789 1.689 20 5 DDBDRO C[C@H](Nc1c(F)cc([N+](=O)[O-])cc1F)[C@H]1C[N@H+](C)CCN1C ZINC000895249500 711465618 /nfs/dbraw/zinc/46/56/18/711465618.db2.gz UVQBBJUJDQHKMM-TVQRCGJNSA-N 1 0 314.336 1.919 20 5 DDBDRO COc1ccc(CNC(=O)[C@@]23CC[N@H+](C2)CCC3)cc1[N+](=O)[O-] ZINC000895811140 711613239 /nfs/dbraw/zinc/61/32/39/711613239.db2.gz DCVRJOXCJVCTIO-INIZCTEOSA-N 1 0 319.361 1.706 20 5 DDBDRO Cc1ccc(C[NH2+][C@H](C)[C@@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000895832355 711619866 /nfs/dbraw/zinc/61/98/66/711619866.db2.gz GFCAZYUHWCIHIK-DGCLKSJQSA-N 1 0 312.391 1.816 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H]2C[C@H]2c2nc(N3CC[NH2+]CC3)no2)c1 ZINC000904740936 711888467 /nfs/dbraw/zinc/88/84/67/711888467.db2.gz QNVCUTAYSAYFCN-CHWSQXEVSA-N 1 0 315.333 1.659 20 5 DDBDRO COc1cc2[nH]c(CCC[NH2+]CC[N+](=O)[O-])cc2c(OC)c1 ZINC000905157843 711955085 /nfs/dbraw/zinc/95/50/85/711955085.db2.gz BYUCFNQQKQVBQQ-UHFFFAOYSA-N 1 0 307.350 1.984 20 5 DDBDRO O=[N+]([O-])c1cccc(CC[NH2+]C[C@@H](O)CC2(O)CCCC2)c1 ZINC000905191663 711964452 /nfs/dbraw/zinc/96/44/52/711964452.db2.gz VMBYQPRBXWJDGG-HNNXBMFYSA-N 1 0 308.378 1.783 20 5 DDBDRO CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H]([NH2+]CC[N+](=O)[O-])C[C@H]2C1 ZINC000905287234 711993275 /nfs/dbraw/zinc/99/32/75/711993275.db2.gz ZWCVPJBCJITIDG-RWMBFGLXSA-N 1 0 313.398 1.888 20 5 DDBDRO CC(C)O[C@@]1(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCOC1 ZINC000905559003 712077390 /nfs/dbraw/zinc/07/73/90/712077390.db2.gz UBCZFMSQMRNUCV-HZPDHXFCSA-N 1 0 324.377 1.802 20 5 DDBDRO CC1(C)CCN(CC[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000905678293 712115327 /nfs/dbraw/zinc/11/53/27/712115327.db2.gz KEAUMOCPRVREJG-OAHLLOKOSA-N 1 0 307.394 1.950 20 5 DDBDRO O=C(NC[C@@H]1CCCC[NH2+]1)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000906633014 712374861 /nfs/dbraw/zinc/37/48/61/712374861.db2.gz DAVNRKVWIAJUOJ-NWANDNLSSA-N 1 0 303.362 1.957 20 5 DDBDRO CC(C)(CO)[NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000916572418 713458721 /nfs/dbraw/zinc/45/87/21/713458721.db2.gz GOBKRMDZAZVLHF-UHFFFAOYSA-N 1 0 301.730 1.547 20 5 DDBDRO C[C@H]1[C@H](NC(=O)NCCc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000920599393 713682135 /nfs/dbraw/zinc/68/21/35/713682135.db2.gz TUYFZWKSOOISLL-WCQYABFASA-N 1 0 306.366 1.529 20 5 DDBDRO C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000930361977 713813623 /nfs/dbraw/zinc/81/36/23/713813623.db2.gz AWGXOEAAVUAMEK-BYCMXARLSA-N 1 0 303.362 1.766 20 5 DDBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000931043936 713989726 /nfs/dbraw/zinc/98/97/26/713989726.db2.gz RSFAHQQADZNCLV-QMTHXVAHSA-N 1 0 303.366 1.996 20 5 DDBDRO COCC[N@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000931627344 714141781 /nfs/dbraw/zinc/14/17/81/714141781.db2.gz NVLMIROGUDLLCA-LSDHHAIUSA-N 1 0 321.377 1.393 20 5 DDBDRO COC(=O)C[C@@H]1C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000932105413 714260175 /nfs/dbraw/zinc/26/01/75/714260175.db2.gz UXICHFLJEWKUET-KYOSRNDESA-N 1 0 322.361 1.759 20 5 DDBDRO C[C@@H]1CC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000932348344 714315568 /nfs/dbraw/zinc/31/55/68/714315568.db2.gz MVJBYCKZTWJVDC-TZMCWYRMSA-N 1 0 310.350 1.445 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H]1COC[C@H]1C ZINC000932494017 714346163 /nfs/dbraw/zinc/34/61/63/714346163.db2.gz GNODHOXIPDUMEZ-RISCZKNCSA-N 1 0 307.350 1.856 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC[C@H]3[NH2+]CC[C@@H]32)c1 ZINC000923416838 714349245 /nfs/dbraw/zinc/34/92/45/714349245.db2.gz QOEWCOZVBBIBIG-BMFZPTHFSA-N 1 0 321.377 1.161 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@@H](C3CCOCC3)C2)c1 ZINC000933079258 714513270 /nfs/dbraw/zinc/51/32/70/714513270.db2.gz KTQLPTDYNHVNGW-CQSZACIVSA-N 1 0 308.382 1.930 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000933462827 714595660 /nfs/dbraw/zinc/59/56/60/714595660.db2.gz DMWKHLORDGAZPX-JTQLQIEISA-N 1 0 311.386 1.192 20 5 DDBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCN(C)CC[N@H+](C)CC1 ZINC000933995524 714717705 /nfs/dbraw/zinc/71/77/05/714717705.db2.gz DKHCHTIIZQWYNC-AWEZNQCLSA-N 1 0 306.410 1.835 20 5 DDBDRO CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1C[NH+](CCCC2CCC2)C1 ZINC000950055690 720470046 /nfs/dbraw/zinc/47/00/46/720470046.db2.gz LRTPGHNISHNBFY-HUUCEWRRSA-N 1 0 309.410 1.765 20 5 DDBDRO COC(=O)c1ccnc(N2CCC(C[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000598589128 721946378 /nfs/dbraw/zinc/94/63/78/721946378.db2.gz DKYPKFZASNHVEU-UHFFFAOYSA-N 1 0 322.365 1.554 20 5 DDBDRO Cc1c(-n2c(C)ncc(C[NH3+])c2=N)ccc([N+](=O)[O-])c1[N+](=O)[O-] ZINC001167674242 735330685 /nfs/dbraw/zinc/33/06/85/735330685.db2.gz OMXFTZYJIYOKKC-UHFFFAOYSA-N 1 0 318.293 1.244 20 5 DDBDRO Cc1nc(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)co1 ZINC001126161368 738433398 /nfs/dbraw/zinc/43/33/98/738433398.db2.gz IXKYSNVVBRAHLG-UHFFFAOYSA-N 1 0 304.306 1.411 20 5 DDBDRO Cc1nc(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])co1 ZINC001126175556 738445684 /nfs/dbraw/zinc/44/56/84/738445684.db2.gz YGGCVUNIVUOHLK-UHFFFAOYSA-N 1 0 304.306 1.411 20 5 DDBDRO [NH3+]CCc1nnn(-c2cc(C(F)(F)F)ccc2[N+](=O)[O-])n1 ZINC001167790543 738626568 /nfs/dbraw/zinc/62/65/68/738626568.db2.gz JIROGYVXKMZURJ-UHFFFAOYSA-N 1 0 302.216 1.091 20 5 DDBDRO O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1cncc(F)c1 ZINC001125577252 734651246 /nfs/dbraw/zinc/65/12/46/734651246.db2.gz IOADGQHBKIMLJQ-UHFFFAOYSA-N 1 0 324.337 1.710 20 5 DDBDRO Cc1nc(C(C)C)ccc1C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126936218 742830111 /nfs/dbraw/zinc/83/01/11/742830111.db2.gz BFSZQGMNNXSLJQ-UKRRQHHQSA-N 1 0 320.393 1.384 20 5 DDBDRO CC(C)(C)c1ccc(C[NH2+]CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC001126936464 742840423 /nfs/dbraw/zinc/84/04/23/742840423.db2.gz JKIMGDSGNOXSRB-HUUCEWRRSA-N 1 0 319.405 1.855 20 5 DDBDRO COC(=O)C1(C[NH2+]Cc2ccc(O)c(OC)c2[N+](=O)[O-])CC1 ZINC001180986367 743028686 /nfs/dbraw/zinc/02/86/86/743028686.db2.gz YQOLESXVMWGBAY-UHFFFAOYSA-N 1 0 310.306 1.352 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@@H](C)[NH+]2CCCCC2)n1 ZINC001182440001 743623691 /nfs/dbraw/zinc/62/36/91/743623691.db2.gz HTBCIMZMMYAJRY-GFCCVEGCSA-N 1 0 306.366 1.902 20 5 DDBDRO C[NH+](C)CCCC(=O)NCC1(Nc2ncccc2[N+](=O)[O-])CC1 ZINC001110317566 743663097 /nfs/dbraw/zinc/66/30/97/743663097.db2.gz QVYSEDBXUMJPNH-UHFFFAOYSA-N 1 0 321.381 1.392 20 5 DDBDRO Cc1nonc1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC001183630554 743877379 /nfs/dbraw/zinc/87/73/79/743877379.db2.gz KLEQOPVNCDNLOB-UHFFFAOYSA-N 1 0 318.337 1.440 20 5 DDBDRO COCCCCC[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001195771184 746693526 /nfs/dbraw/zinc/69/35/26/746693526.db2.gz ZGPINXVFONWPRL-ZIAGYGMSSA-N 1 0 313.398 1.003 20 5 DDBDRO Cc1cccc(C)c1C[NH+]1CC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001031662175 747336510 /nfs/dbraw/zinc/33/65/10/747336510.db2.gz WAGJFBCNHFIDBK-GDBMZVCRSA-N 1 0 317.389 1.517 20 5 DDBDRO O=C(NCC1C[NH+](CCCC2CCCC2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001031662257 747336583 /nfs/dbraw/zinc/33/65/83/747336583.db2.gz ZFFOATVHAJMJMM-HUUCEWRRSA-N 1 0 309.410 1.670 20 5 DDBDRO CCC/C=C/CC[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001200471363 748265456 /nfs/dbraw/zinc/26/54/56/748265456.db2.gz FPNNULGSUSBUSD-DPOFCPOHSA-N 1 0 309.410 1.979 20 5 DDBDRO Cc1cc(CC(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)no1 ZINC001124999013 748759887 /nfs/dbraw/zinc/75/98/87/748759887.db2.gz ANJDCESZRIQOQC-UHFFFAOYSA-N 1 0 324.362 1.401 20 5 DDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([NH2+]CCC2CCCC2)CC1 ZINC000996440894 749574785 /nfs/dbraw/zinc/57/47/85/749574785.db2.gz OJQNWRVWHWHYCW-HUUCEWRRSA-N 1 0 309.410 1.813 20 5 DDBDRO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC[NH+](C/C=C\Cl)CC1 ZINC001005382967 749934525 /nfs/dbraw/zinc/93/45/25/749934525.db2.gz SCXKRKLMXPXSCV-YNNXIKFZSA-N 1 0 301.774 1.327 20 5 DDBDRO Cc1cc([N+](=O)[O-])cnc1NC/C=C\CNC(=O)CC[NH+](C)C ZINC001107490271 750046560 /nfs/dbraw/zinc/04/65/60/750046560.db2.gz YCLKPEKDMJSQRV-PLNGDYQASA-N 1 0 321.381 1.334 20 5 DDBDRO CC(=O)NCC[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC001111309456 750443513 /nfs/dbraw/zinc/44/35/13/750443513.db2.gz OEHACYHLINUICH-UHFFFAOYSA-N 1 0 306.366 1.607 20 5 DDBDRO [NH3+][C@H]1CCc2nn(-c3ccc4nsnc4c3[N+](=O)[O-])cc2C1 ZINC001168822806 762054328 /nfs/dbraw/zinc/05/43/28/762054328.db2.gz XGVDMPISLHEXMV-QMMMGPOBSA-N 1 0 316.346 1.601 20 5 DDBDRO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CC[C@H]([NH3+])C1 ZINC001156228220 762068069 /nfs/dbraw/zinc/06/80/69/762068069.db2.gz DELDISNHKNGNHU-ZETCQYMHSA-N 1 0 314.729 1.357 20 5 DDBDRO COCCC1(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001129044038 751146595 /nfs/dbraw/zinc/14/65/95/751146595.db2.gz SYOKNCWRADPQSW-UHFFFAOYSA-N 1 0 321.377 1.617 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C[C@H](O)COCc2ccccc2)C1 ZINC001168966621 762158304 /nfs/dbraw/zinc/15/83/04/762158304.db2.gz KBPFBDNEWDNEIK-OAGGEKHMSA-N 1 0 308.378 1.599 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@H]2CCN(Cc3ccncc3)C2)C1 ZINC001168994595 762167562 /nfs/dbraw/zinc/16/75/62/762167562.db2.gz QFZPQKMJZTTXDC-OAGGEKHMSA-N 1 0 304.394 1.691 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCN(Cc3ccccn3)C2)C1 ZINC001168992870 762166821 /nfs/dbraw/zinc/16/68/21/762166821.db2.gz LFVSUVVWHXVVLE-IIAWOOMASA-N 1 0 304.394 1.691 20 5 DDBDRO O=C(C[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)NCc1ccc(F)cc1 ZINC001168993540 762166828 /nfs/dbraw/zinc/16/68/28/762166828.db2.gz NAVBKQFKQNGWLY-GXTWGEPZSA-N 1 0 309.341 1.477 20 5 DDBDRO C[N@H+](C1CN(C(=O)OC(C)(C)C)C1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169038237 762193469 /nfs/dbraw/zinc/19/34/69/762193469.db2.gz XGUXSHACXFZCFQ-RYUDHWBXSA-N 1 0 313.398 1.983 20 5 DDBDRO CC1=NC2(CC[NH+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)C(=O)N1C ZINC001169054212 762209138 /nfs/dbraw/zinc/20/91/38/762209138.db2.gz KVLWKOVRSDZASR-OLZOCXBDSA-N 1 0 308.382 1.157 20 5 DDBDRO Cc1cnc(O[C@@H]2CC[N@@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)nc1 ZINC001169057630 762210937 /nfs/dbraw/zinc/21/09/37/762210937.db2.gz WKJXUXIZWWHSSM-MGPQQGTHSA-N 1 0 306.366 1.684 20 5 DDBDRO O=[N+]([O-])c1cc2ccccc2nc1N1CCOCC12C[NH2+]C2 ZINC001165287893 756939508 /nfs/dbraw/zinc/93/95/08/756939508.db2.gz ACIPEUBLCBMMBM-UHFFFAOYSA-N 1 0 300.318 1.322 20 5 DDBDRO CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@@H](Nc2ncccc2[N+](=O)[O-])C1 ZINC001097189729 756978627 /nfs/dbraw/zinc/97/86/27/756978627.db2.gz CNDZANFWLRWRHI-TXEJJXNPSA-N 1 0 321.381 1.389 20 5 DDBDRO COC(=O)c1ncc([N+](=O)[O-])c(C)c1NCC[C@H]1CCC[NH2+]1 ZINC001169564814 762512559 /nfs/dbraw/zinc/51/25/59/762512559.db2.gz VCQOSRHVWOHJPH-SNVBAGLBSA-N 1 0 308.338 1.639 20 5 DDBDRO CCCC[NH+]1CCC(C2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CC1 ZINC001000148480 761541622 /nfs/dbraw/zinc/54/16/22/761541622.db2.gz FHUQCKIATFEOQS-ZIAGYGMSSA-N 1 0 309.410 1.813 20 5 DDBDRO C[C@H]([NH3+])c1ccn(-c2nc(Cl)nc(Cl)c2[N+](=O)[O-])n1 ZINC001158348487 768114316 /nfs/dbraw/zinc/11/43/16/768114316.db2.gz HTUJGYSWPPUXDZ-BYPYZUCNSA-N 1 0 303.109 1.897 20 5 DDBDRO CC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC001050272744 763397216 /nfs/dbraw/zinc/39/72/16/763397216.db2.gz FILMOVYMWHNPJH-HAQNSBGRSA-N 1 0 309.370 1.113 20 5 DDBDRO C[C@@H](Nc1ccc2cc([N+](=O)[O-])ccc2n1)[C@H]1C[NH2+]CCO1 ZINC001170565671 768165197 /nfs/dbraw/zinc/16/51/97/768165197.db2.gz WBEBBEDUXKQDTG-QMTHXVAHSA-N 1 0 302.334 1.932 20 5 DDBDRO CC(=O)N1CCc2cc(NCC3C[NH+](C)C3)cc([N+](=O)[O-])c21 ZINC001170256845 766205741 /nfs/dbraw/zinc/20/57/41/766205741.db2.gz YTQVIZDKLRRUMY-UHFFFAOYSA-N 1 0 304.350 1.477 20 5 DDBDRO COc1ccc(C[C@@H](C)[NH2+]C[C@H]2CCC(=O)N2)c([N+](=O)[O-])c1 ZINC001170297897 766227313 /nfs/dbraw/zinc/22/73/13/766227313.db2.gz VGNHAZRKWHZNIF-ZYHUDNBSSA-N 1 0 307.350 1.403 20 5 DDBDRO Cc1ccoc1CC(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001133577877 770029304 /nfs/dbraw/zinc/02/93/04/770029304.db2.gz OZXMARDWNIMCQS-UHFFFAOYSA-N 1 0 317.345 1.945 20 5 DDBDRO C[C@@H]1CCC[N@H+](CCNC(=O)c2cnc(N)c([N+](=O)[O-])c2)C1 ZINC001136225125 771917801 /nfs/dbraw/zinc/91/78/01/771917801.db2.gz TTZJPQDVKCJUFA-SNVBAGLBSA-N 1 0 307.354 1.034 20 5 DDBDRO Nc1cc([N+](=O)[O-])ccc1C(=O)N1CCC([NH+]2CCC2)CC1 ZINC001148281015 773432494 /nfs/dbraw/zinc/43/24/94/773432494.db2.gz VKGVMMSUHCJBJU-UHFFFAOYSA-N 1 0 304.350 1.487 20 5 DDBDRO Cc1ccnc(NCCNC(=O)C2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC001093700794 775019572 /nfs/dbraw/zinc/01/95/72/775019572.db2.gz HSUCBWJSFKXSNW-UHFFFAOYSA-N 1 0 321.381 1.168 20 5 DDBDRO CC(C)[N@H+](C)CC(=O)NCCCNc1ccccc1[N+](=O)[O-] ZINC001094456347 775894917 /nfs/dbraw/zinc/89/49/17/775894917.db2.gz BLFBQDLZALFWEA-UHFFFAOYSA-N 1 0 308.382 1.853 20 5 DDBDRO CCN(CCNC(=O)CC[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC001100700740 776451007 /nfs/dbraw/zinc/45/10/07/776451007.db2.gz IXYUZJPZAXLMPQ-UHFFFAOYSA-N 1 0 308.382 1.489 20 5 DDBDRO CNC(=O)N1CCC([NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173222327 777054965 /nfs/dbraw/zinc/05/49/65/777054965.db2.gz WGLVDXBMIPRAFY-LBPRGKRZSA-N 1 0 320.393 1.919 20 5 DDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCN1CCC(O)CC1 ZINC001173234379 777065329 /nfs/dbraw/zinc/06/53/29/777065329.db2.gz OLOOIDUGBBJDKR-ZDUSSCGKSA-N 1 0 307.394 1.572 20 5 DDBDRO CC[NH+](CC)CC(=O)N(C)CCNc1ncc(C)cc1[N+](=O)[O-] ZINC001101628482 777323049 /nfs/dbraw/zinc/32/30/49/777323049.db2.gz LYZWMKMWFPFSSQ-UHFFFAOYSA-N 1 0 323.397 1.510 20 5 DDBDRO Cc1cc([N+](=O)[O-])cnc1NCCN(C)C(=O)C[NH+]1CCCC1 ZINC001101633391 777330139 /nfs/dbraw/zinc/33/01/39/777330139.db2.gz OYBLGIJZAROTHP-UHFFFAOYSA-N 1 0 321.381 1.264 20 5 DDBDRO CN(CCNc1ncccc1[N+](=O)[O-])C(=O)CCC[NH+](C)C ZINC001101938795 777702195 /nfs/dbraw/zinc/70/21/95/777702195.db2.gz HWSQPXLNKRSTPP-UHFFFAOYSA-N 1 0 309.370 1.202 20 5 DDBDRO C[NH+](C)CC[C@@H](NC(=O)c1c[nH]nc1[N+](=O)[O-])c1cccnc1 ZINC001178401147 779016948 /nfs/dbraw/zinc/01/69/48/779016948.db2.gz RHONATZWPCRLGE-GFCCVEGCSA-N 1 0 318.337 1.136 20 5 DDBDRO O=C(NCC[NH+]1CC=CC1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001118001084 780982647 /nfs/dbraw/zinc/98/26/47/780982647.db2.gz BWSUFVDCCOAILQ-LSDHHAIUSA-N 1 0 301.346 1.686 20 5 DDBDRO COC(=O)c1cc(NC(=O)C[NH2+]CC(C)C)cc([N+](=O)[O-])c1 ZINC001118194977 781059172 /nfs/dbraw/zinc/05/91/72/781059172.db2.gz XHDGHSIAPVOPMX-UHFFFAOYSA-N 1 0 309.322 1.566 20 5 DDBDRO CC(=O)N1CCC([NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)CC1 ZINC001119856741 781647284 /nfs/dbraw/zinc/64/72/84/781647284.db2.gz ZOIKTPVJOUOKRJ-UHFFFAOYSA-N 1 0 321.381 1.439 20 5 DDBDRO CN(CC[N@H+](C)Cc1cccc(F)c1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001268237488 839874519 /nfs/dbraw/zinc/87/45/19/839874519.db2.gz KDHAAGCRLQAEHW-ZIAGYGMSSA-N 1 0 309.341 1.381 20 5 DDBDRO CCOC(=O)[C@@H]1C[NH2+]CCN1C/C=C\c1ccccc1[N+](=O)[O-] ZINC001326223372 861207235 /nfs/dbraw/zinc/20/72/35/861207235.db2.gz ZTALVYLDPORSDJ-PKYBCLHXSA-N 1 0 319.361 1.445 20 5 DDBDRO O=C(NCC1([NH2+]Cc2ccsc2)CCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001270743854 842864189 /nfs/dbraw/zinc/86/41/89/842864189.db2.gz XFGVQLSUXFGOKM-CHWSQXEVSA-N 1 0 323.418 1.932 20 5 DDBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N[C@@H](C)CN2CC[NH2+]CC2)n1 ZINC001154748560 861420991 /nfs/dbraw/zinc/42/09/91/861420991.db2.gz DKJYPRCYCHPCIN-QMMMGPOBSA-N 1 0 314.777 1.052 20 5 DDBDRO O=[N+]([O-])c1ccnc(-n2nc(C(F)(F)F)c3c2CC[NH2+]C3)c1 ZINC001154847047 861509474 /nfs/dbraw/zinc/50/94/74/861509474.db2.gz LWABAEUMNIAOJN-UHFFFAOYSA-N 1 0 313.239 1.840 20 5 DDBDRO C[NH+](C)C[C@H]1COCCN1c1ccc2cccc([N+](=O)[O-])c2n1 ZINC001154966896 861606980 /nfs/dbraw/zinc/60/69/80/861606980.db2.gz FEAHGWVRSXZWLW-ZDUSSCGKSA-N 1 0 316.361 1.910 20 5 DDBDRO CC(C)(C)C(=N)Nc1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001155176301 861800043 /nfs/dbraw/zinc/80/00/43/861800043.db2.gz YQUCUTZYMVOLJI-UHFFFAOYSA-N 1 0 307.358 1.230 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)n1 ZINC001128883029 848121889 /nfs/dbraw/zinc/12/18/89/848121889.db2.gz OZWJNJSNJYISAG-JSGCOSHPSA-N 1 0 318.377 1.997 20 5 DDBDRO [NH3+][C@H]1COC[C@H]1NC(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1 ZINC001155346335 861982094 /nfs/dbraw/zinc/98/20/94/861982094.db2.gz ZVQTVBHPGMQFQQ-NTSWFWBYSA-N 1 0 308.672 1.008 20 5 DDBDRO COC(=O)[C@@H](Nc1cc([N+](=O)[O-])cc(Cl)n1)C(C)(C)[NH3+] ZINC001155369501 862003134 /nfs/dbraw/zinc/00/31/34/862003134.db2.gz XCKBHFXXLQYKTQ-SECBINFHSA-N 1 0 302.718 1.334 20 5 DDBDRO Nc1cc([N+](=O)[O-])cnc1NC[C@@H]1CCC2(CC[NH2+]CC2)CO1 ZINC001155383506 862022327 /nfs/dbraw/zinc/02/23/27/862022327.db2.gz MQGRQNISPLCLFM-LBPRGKRZSA-N 1 0 321.381 1.533 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@]23CCC[C@@H]2[NH2+]CC3)n1 ZINC001155409315 862054541 /nfs/dbraw/zinc/05/45/41/862054541.db2.gz RLXMVGVTZVIAQU-SMDDNHRTSA-N 1 0 306.322 1.473 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)ncnc2N[C@@H]1COCCC12C[NH2+]C2 ZINC001155460951 862111920 /nfs/dbraw/zinc/11/19/20/862111920.db2.gz FOOWGSPTLOGASD-CYBMUJFWSA-N 1 0 315.333 1.328 20 5 DDBDRO Cn1nccc1C(=O)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001155480954 862141418 /nfs/dbraw/zinc/14/14/18/862141418.db2.gz XBFVQOFECWVGPR-UHFFFAOYSA-N 1 0 317.349 1.238 20 5 DDBDRO CC(C)(C)OC(=O)CCNc1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001155682978 862375227 /nfs/dbraw/zinc/37/52/27/862375227.db2.gz WFOMNMRBOJAYBD-UHFFFAOYSA-N 1 0 323.353 1.215 20 5 DDBDRO C[NH+]1CCC2(CCCN(c3ccc(N)c([N+](=O)[O-])n3)C2)CC1 ZINC001328022603 862641558 /nfs/dbraw/zinc/64/15/58/862641558.db2.gz BLVZZEHPMYZJJV-UHFFFAOYSA-N 1 0 305.382 1.884 20 5 DDBDRO Cc1nccn1CC(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001151141246 862645678 /nfs/dbraw/zinc/64/56/78/862645678.db2.gz MODQAIGCYNWRPJ-UHFFFAOYSA-N 1 0 317.349 1.006 20 5 DDBDRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(C[N+](=O)[O-])n2CC)C1 ZINC001121792138 858598577 /nfs/dbraw/zinc/59/85/77/858598577.db2.gz RJXUXUHEOBNEKH-GFCCVEGCSA-N 1 0 310.402 1.243 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NCC[C@H]1CSCC[NH2+]1 ZINC001122001877 858657818 /nfs/dbraw/zinc/65/78/18/858657818.db2.gz VCBGFNARAZKSNM-NSHDSACASA-N 1 0 309.391 1.728 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCC2(C[NH2+]C2)CC1 ZINC001122129208 858691875 /nfs/dbraw/zinc/69/18/75/858691875.db2.gz KKLGLYYQFHNSSB-UHFFFAOYSA-N 1 0 319.361 1.819 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@H]([NH2+]CCO)C1 ZINC001122176032 858703613 /nfs/dbraw/zinc/70/36/13/858703613.db2.gz UIYLWDGKGLFFJA-LBPRGKRZSA-N 1 0 307.350 1.090 20 5 DDBDRO COCC[C@H]1C[NH2+]CCN1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC001122311413 858747560 /nfs/dbraw/zinc/74/75/60/858747560.db2.gz AMFOGAVTODIWLG-SZTZYQKNSA-N 1 0 319.361 1.445 20 5 DDBDRO COC[C@H]1C[NH2+]CCN1C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC001122332310 858757957 /nfs/dbraw/zinc/75/79/57/858757957.db2.gz PXJVYQUTNFYPMR-SNVBAGLBSA-N 1 0 313.741 1.309 20 5 DDBDRO C[C@H](CNC(=O)[C@H](F)[C@H]1CC[NH2+]C1)c1ccccc1[N+](=O)[O-] ZINC001122353765 858773928 /nfs/dbraw/zinc/77/39/28/858773928.db2.gz KOGJYPHWBRMKLZ-UHIISALHSA-N 1 0 309.341 1.762 20 5 DDBDRO C[C@@H](CNC(=O)COC1CC[NH2+]CC1)c1ccccc1[N+](=O)[O-] ZINC001122353142 858774280 /nfs/dbraw/zinc/77/42/80/858774280.db2.gz HSQOMXKMLXZSAE-LBPRGKRZSA-N 1 0 321.377 1.583 20 5 DDBDRO O=C(c1csc([N+](=O)[O-])c1)N1CCC(OC2C[NH2+]C2)CC1 ZINC001122386485 858789090 /nfs/dbraw/zinc/78/90/90/858789090.db2.gz KJNPLQIMYJWBAH-UHFFFAOYSA-N 1 0 311.363 1.249 20 5 DDBDRO Cc1ccc(OC(=O)COC2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC001122519251 858864627 /nfs/dbraw/zinc/86/46/27/858864627.db2.gz IURWIXDHSLJQLN-UHFFFAOYSA-N 1 0 308.334 1.919 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)OCC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001122962746 859030025 /nfs/dbraw/zinc/03/00/25/859030025.db2.gz UTHOFHBWLYSEPG-YHWZYXNKSA-N 1 0 322.365 1.516 20 5 DDBDRO Cc1ccc(NC(=O)[C@H]2C[N@H+]3CCN2C[C@@H]3C)cc1[N+](=O)[O-] ZINC001123474148 859251031 /nfs/dbraw/zinc/25/10/31/859251031.db2.gz YRWUPTCNQVKGHP-SMDDNHRTSA-N 1 0 304.350 1.230 20 5 DDBDRO CC[NH+]1CCN(C2CN(C(=O)c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC001124053780 859552132 /nfs/dbraw/zinc/55/21/32/859552132.db2.gz TZTGPNHDFGIQFK-UHFFFAOYSA-N 1 0 318.377 1.057 20 5 DDBDRO Cc1ncc(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])s1 ZINC001124515006 859727450 /nfs/dbraw/zinc/72/74/50/859727450.db2.gz UIEADUUIFPGDAQ-UHFFFAOYSA-N 1 0 320.374 1.879 20 5 DDBDRO COC[C@H](C)OC[C@@H](C)OC[C@H](C)OCCC[N+](C)(C)C ZINC001224623020 881475683 /nfs/dbraw/zinc/47/56/83/881475683.db2.gz JYWWJPLIKUTYGO-HRCADAONSA-N 1 0 306.467 1.944 20 5 DDBDRO CCOC(=O)c1ccnc(N(C)[C@@]2(C)CCC[NH2+]C2)c1[N+](=O)[O-] ZINC001156978052 863492188 /nfs/dbraw/zinc/49/21/88/863492188.db2.gz XUPVERRMPOLFTJ-HNNXBMFYSA-N 1 0 322.365 1.745 20 5 DDBDRO O=[N+]([O-])c1cnc(NC2(c3ccccn3)CC2)nc1C1C[NH2+]C1 ZINC001157376461 863771035 /nfs/dbraw/zinc/77/10/35/863771035.db2.gz LDLYHNKAFWEGFF-UHFFFAOYSA-N 1 0 312.333 1.568 20 5 DDBDRO NC(=[NH2+])c1nccn1-c1nc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001157622529 863983739 /nfs/dbraw/zinc/98/37/39/863983739.db2.gz GNWDFYRLIJTRBT-UHFFFAOYSA-N 1 0 301.093 1.766 20 5 DDBDRO [NH3+]C[C@@]1(F)CCN(c2ccc(-c3ccc([N+](=O)[O-])cc3)nn2)C1 ZINC001157817029 864166885 /nfs/dbraw/zinc/16/68/85/864166885.db2.gz JWLWQUNEQRHKCU-HNNXBMFYSA-N 1 0 317.324 1.929 20 5 DDBDRO COc1cc(C)nc(-n2cc3c(n2)CC[C@@H]([NH3+])C3)c1[N+](=O)[O-] ZINC001157987285 864335897 /nfs/dbraw/zinc/33/58/97/864335897.db2.gz DNOLPHDXIRFNER-SNVBAGLBSA-N 1 0 303.322 1.309 20 5 DDBDRO [NH3+]CCN(c1cccnc1)c1c(Cl)[n+]([O-])ccc1[N+](=O)[O-] ZINC001158001241 864347614 /nfs/dbraw/zinc/34/76/14/864347614.db2.gz XMPFQWZJQMPBCO-UHFFFAOYSA-N 1 0 309.713 1.373 20 5 DDBDRO CC(C)N(c1cc([N+](=O)[O-])cc(Cl)[n+]1[O-])[C@@H]1CC[NH2+]C1 ZINC001158032666 864370969 /nfs/dbraw/zinc/37/09/69/864370969.db2.gz KMPIAAHGSWOYHQ-SECBINFHSA-N 1 0 300.746 1.458 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N(C(C)C)[C@H]2CC[NH2+]C2)n1 ZINC001158035049 864373860 /nfs/dbraw/zinc/37/38/60/864373860.db2.gz OCMPVZPCXITYDU-JTQLQIEISA-N 1 0 308.338 1.353 20 5 DDBDRO [NH3+]CCCN(CC(F)(F)F)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC001330904349 864691553 /nfs/dbraw/zinc/69/15/53/864691553.db2.gz ZSCXJAWURBXAIK-UHFFFAOYSA-N 1 0 319.283 1.877 20 5 DDBDRO C[C@]1(C[NH3+])CCCN(c2cc([N+](=O)[O-])cc(Cl)[n+]2[O-])C1 ZINC001158678099 864807036 /nfs/dbraw/zinc/80/70/36/864807036.db2.gz BVBVISWKIPBIFT-GFCCVEGCSA-N 1 0 300.746 1.447 20 5 DDBDRO CC(C)[NH2+]C1(CO)CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC001158789399 864906892 /nfs/dbraw/zinc/90/68/92/864906892.db2.gz LNLWCADHVXZPER-UHFFFAOYSA-N 1 0 311.338 1.153 20 5 DDBDRO O=[N+]([O-])c1cc(Cl)c(Cl)nc1NC[C@H]1COCC[NH2+]1 ZINC001159042984 865066828 /nfs/dbraw/zinc/06/68/28/865066828.db2.gz NGNHRITZNPCLKO-LURJTMIESA-N 1 0 307.137 1.697 20 5 DDBDRO O=C([C@@H]1CC12CC[NH2+]CC2)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001332141189 865610176 /nfs/dbraw/zinc/61/01/76/865610176.db2.gz CLVRVLNRXZBTQR-AWEZNQCLSA-N 1 0 301.346 1.827 20 5 DDBDRO [NH3+]Cc1ccc2cn(-c3c(Cl)[n+]([O-])ccc3[N+](=O)[O-])nc2c1 ZINC001160140723 865694805 /nfs/dbraw/zinc/69/48/05/865694805.db2.gz UAQSGIOTNDLUIG-UHFFFAOYSA-N 1 0 319.708 1.679 20 5 DDBDRO CC(C)(C)[NH+]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC001323116224 866354361 /nfs/dbraw/zinc/35/43/61/866354361.db2.gz VRVLDRRCZCEMDF-UHFFFAOYSA-N 1 0 308.382 1.173 20 5 DDBDRO CC[NH+](CC)C1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC001323922284 866951270 /nfs/dbraw/zinc/95/12/70/866951270.db2.gz MVAMWBCNTOAFAF-UHFFFAOYSA-N 1 0 306.366 1.936 20 5 DDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1CCC[C@@H]1C ZINC001320704252 866964283 /nfs/dbraw/zinc/96/42/83/866964283.db2.gz YLMDGTYJFGHKCM-NSHDSACASA-N 1 0 306.366 1.851 20 5 DDBDRO CCc1n[nH]c(C(=O)N[C@H]2CCCC[C@H]2[NH+](C)C)c1[N+](=O)[O-] ZINC001320805515 867043813 /nfs/dbraw/zinc/04/38/13/867043813.db2.gz WYRVGQBUIPPBPB-WDEREUQCSA-N 1 0 309.370 1.483 20 5 DDBDRO CC(C)(O)CC(=O)NC/C=C\C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001321039614 867248709 /nfs/dbraw/zinc/24/87/09/867248709.db2.gz RTHVHRUUEUMERQ-WAYWQWQTSA-N 1 0 321.377 1.518 20 5 DDBDRO C[C@@H](CN1CC[NH2+]CC1)Nc1ccnc2c1cccc2[N+](=O)[O-] ZINC001162098294 867250481 /nfs/dbraw/zinc/25/04/81/867250481.db2.gz OVUDJUPGKIHSME-LBPRGKRZSA-N 1 0 315.377 1.849 20 5 DDBDRO O=[N+]([O-])c1ccc(-c2nc([C@@H]3C[NH+]4CCC3CC4)no2)nc1 ZINC001321125409 867339253 /nfs/dbraw/zinc/33/92/53/867339253.db2.gz SQGMWNUDFMYGEN-LLVKDONJSA-N 1 0 301.306 1.849 20 5 DDBDRO C[C@@H]1C[NH2+]CCC[C@H]1CNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC001162461009 867550232 /nfs/dbraw/zinc/55/02/32/867550232.db2.gz MCPWQQASBQHHLJ-ZJUUUORDSA-N 1 0 307.354 1.136 20 5 DDBDRO O=[N+]([O-])c1c(Br)ccnc1NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC001162477909 867562115 /nfs/dbraw/zinc/56/21/15/867562115.db2.gz QWINLWQGZCCCSH-BQBZGAKWSA-N 1 0 319.134 1.864 20 5 DDBDRO Cc1c[n+]([O-])c(-n2c3ccccc3nc2[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC001162757518 867803686 /nfs/dbraw/zinc/80/36/86/867803686.db2.gz AHBQPYYIKBPHTL-JTQLQIEISA-N 1 0 313.317 1.895 20 5 DDBDRO COC(=O)[C@@H](Nc1nccc2c1cccc2[N+](=O)[O-])C(C)(C)[NH3+] ZINC001162942664 867931156 /nfs/dbraw/zinc/93/11/56/867931156.db2.gz XILLGMVUIJXWNY-GFCCVEGCSA-N 1 0 318.333 1.834 20 5 DDBDRO O=[N+]([O-])c1cnc(N2CCCN(c3cc[nH+]cc3)CC2)nc1 ZINC001335072983 868044993 /nfs/dbraw/zinc/04/49/93/868044993.db2.gz HLCFPNQCRVVJLR-UHFFFAOYSA-N 1 0 300.322 1.497 20 5 DDBDRO O=[N+]([O-])c1c2nsnc2ccc1N[C@H]1COCCC12C[NH2+]C2 ZINC001163078456 868061500 /nfs/dbraw/zinc/06/15/00/868061500.db2.gz BJWGBXMQPHJFTM-JTQLQIEISA-N 1 0 321.362 1.390 20 5 DDBDRO CN(CCC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)CC(C)(C)O ZINC001322483249 868196351 /nfs/dbraw/zinc/19/63/51/868196351.db2.gz NVQHYSVBKXJPCG-UHFFFAOYSA-N 1 0 323.393 1.694 20 5 DDBDRO O=[N+]([O-])c1ccc2nc(NC[C@@]34C[NH2+][C@@H](CO3)C4)ccc2c1 ZINC001163191272 868199615 /nfs/dbraw/zinc/19/96/15/868199615.db2.gz KGYIJDSTSMHDTM-IAQYHMDHSA-N 1 0 300.318 1.686 20 5 DDBDRO COC[C@H]1C[NH2+]CCN1C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC001335369809 868255715 /nfs/dbraw/zinc/25/57/15/868255715.db2.gz YLMDTUXHNQBRQU-BXUZGUMPSA-N 1 0 322.365 1.286 20 5 DDBDRO O=[N+]([O-])c1c2[nH]cnc2ccc1N[C@@H]1CCO[C@@]2(CC[NH2+]C2)C1 ZINC001163329586 868360368 /nfs/dbraw/zinc/36/03/68/868360368.db2.gz YZJJIXSMOGWVGY-BMIGLBTASA-N 1 0 317.349 1.794 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1C[C@H]2CC[N@H+](C)[C@H]2C1 ZINC001163347007 868379056 /nfs/dbraw/zinc/37/90/56/868379056.db2.gz QDCTYUNKSBJJPW-ABAIWWIYSA-N 1 0 319.361 1.830 20 5 DDBDRO NC(=O)c1cc([N+](=O)[O-])ccc1OC1CC[NH+](C2CC2)CC1 ZINC001226167443 882242096 /nfs/dbraw/zinc/24/20/96/882242096.db2.gz JDTHIAAFNRKILO-UHFFFAOYSA-N 1 0 305.334 1.699 20 5 DDBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2C[C@H](C)CC[C@@H]2C[NH3+])n1 ZINC001164079999 868928973 /nfs/dbraw/zinc/92/89/73/868928973.db2.gz XRBQATGWJITXOY-LDYMZIIASA-N 1 0 322.369 1.215 20 5 DDBDRO CC(C)N(CCC[NH3+])c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC001164128924 868962284 /nfs/dbraw/zinc/96/22/84/868962284.db2.gz PERIPTXWYZAVTI-UHFFFAOYSA-N 1 0 315.395 1.562 20 5 DDBDRO CC[C@H](C)[C@H](Nc1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-])C(=O)OC ZINC001164135596 868966624 /nfs/dbraw/zinc/96/66/24/868966624.db2.gz WUXZKICHYLCUPU-WPRPVWTQSA-N 1 0 323.353 1.071 20 5 DDBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CCC[C@@H]1C[NH+](C)C ZINC001165076289 869365818 /nfs/dbraw/zinc/36/58/18/869365818.db2.gz GKVKABLWXFUDAT-LLVKDONJSA-N 1 0 322.365 1.697 20 5 DDBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC001165151425 869410793 /nfs/dbraw/zinc/41/07/93/869410793.db2.gz QREOMDMSXVFIGE-PHIMTYICSA-N 1 0 320.349 1.164 20 5 DDBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N[C@@H]1C[NH+]2CCC1CC2 ZINC001337358919 869450034 /nfs/dbraw/zinc/45/00/34/869450034.db2.gz WDAFKLMDKUAADG-OAHLLOKOSA-N 1 0 303.362 1.738 20 5 DDBDRO O=[N+]([O-])c1ccc2c(ccnc2N2CC[C@@H]3[NH2+]CCO[C@H]3C2)c1 ZINC001165275487 869488101 /nfs/dbraw/zinc/48/81/01/869488101.db2.gz SRWCNWOYXPIABV-GJZGRUSLSA-N 1 0 314.345 1.710 20 5 DDBDRO Nc1cc(N2CCCC[C@H]2C2CC[NH2+]CC2)ncc1[N+](=O)[O-] ZINC001165325319 869518638 /nfs/dbraw/zinc/51/86/38/869518638.db2.gz XQACPWQFUSQMEQ-ZDUSSCGKSA-N 1 0 305.382 1.931 20 5 DDBDRO Cc1nc2c(n1-c1ncc([N+](=O)[O-])cc1[N+](=O)[O-])CC[NH2+]CC2 ZINC001165352969 869539224 /nfs/dbraw/zinc/53/92/24/869539224.db2.gz KBHNLFUSOHOJAX-UHFFFAOYSA-N 1 0 318.293 1.080 20 5 DDBDRO [NH3+]C1([C@@H]2CN(c3ccc4[nH]cc([N+](=O)[O-])c4n3)C[C@H]2CF)CC1 ZINC001165431627 869594853 /nfs/dbraw/zinc/59/48/53/869594853.db2.gz FZCSFOOWIBIYNH-NXEZZACHSA-N 1 0 319.340 1.984 20 5 DDBDRO [NH3+]CCc1nccn1-c1ccc2cc(F)cc([N+](=O)[O-])c2n1 ZINC001166352027 869965740 /nfs/dbraw/zinc/96/57/40/869965740.db2.gz XRAQNIJGIKUDMJ-UHFFFAOYSA-N 1 0 301.281 1.969 20 5 DDBDRO CC[N@@H+]1CCN(c2nnc(-c3c[nH]c([N+](=O)[O-])c3)n2C)C[C@@H]1C ZINC001338461280 869991104 /nfs/dbraw/zinc/99/11/04/869991104.db2.gz KXYDTMACCSGZMN-JTQLQIEISA-N 1 0 319.369 1.249 20 5 DDBDRO CSc1nc(Cl)nc(N2CCC([NH3+])CC2)c1[N+](=O)[O-] ZINC001166661993 870136172 /nfs/dbraw/zinc/13/61/72/870136172.db2.gz GCGHOUZVNRCDBC-UHFFFAOYSA-N 1 0 303.775 1.688 20 5 DDBDRO COc1cc(C)nc(N2CC[C@@H]([NH3+])C(F)(F)C2)c1[N+](=O)[O-] ZINC001166962166 870425895 /nfs/dbraw/zinc/42/58/95/870425895.db2.gz TVXNPESQXGFHBL-SECBINFHSA-N 1 0 302.281 1.480 20 5 DDBDRO CO[C@@H]1CC[N@H+](CCOc2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC001226441030 882433571 /nfs/dbraw/zinc/43/35/71/882433571.db2.gz LEILDYOYRZYGGE-GFCCVEGCSA-N 1 0 318.333 1.638 20 5 DDBDRO C[C@H]1[C@H](NC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC001303799178 871155853 /nfs/dbraw/zinc/15/58/53/871155853.db2.gz DHFCYMBXQYIYGB-JOYOIKCWSA-N 1 0 311.769 2.000 20 5 DDBDRO C[C@H](NC(=O)[C@]12C[NH2+]C[C@H]1COC2)c1ccc([N+](=O)[O-])cc1 ZINC001341109381 871505599 /nfs/dbraw/zinc/50/55/99/871505599.db2.gz QTABWYJHHOKJLE-WBIUFABUSA-N 1 0 305.334 1.008 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)[NH2+][C@H]2CCCOCC2)cc1 ZINC001308932660 871538774 /nfs/dbraw/zinc/53/87/74/871538774.db2.gz ZRZGHAOSANOYHW-NWANDNLSSA-N 1 0 310.350 1.148 20 5 DDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001341272528 871585425 /nfs/dbraw/zinc/58/54/25/871585425.db2.gz SKRVKUFEVMNDFG-NWDGAFQWSA-N 1 0 323.780 1.859 20 5 DDBDRO C[C@H](NC(=O)N[C@@H]1Cc2cncn2C1)c1cccc([N+](=O)[O-])c1 ZINC001311608091 871707577 /nfs/dbraw/zinc/70/75/77/871707577.db2.gz ANIIUZNZDJNXDQ-CMPLNLGQSA-N 1 0 315.333 1.776 20 5 DDBDRO Cc1cccc(C)c1C[N@H+](C)CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001316823041 871966534 /nfs/dbraw/zinc/96/65/34/871966534.db2.gz BLIUDEXZMVFPLF-GDBMZVCRSA-N 1 0 319.405 1.907 20 5 DDBDRO CO[C@@H]1C[NH2+][C@](C)(C(=O)NC[C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC001342071798 871986422 /nfs/dbraw/zinc/98/64/22/871986422.db2.gz CZMUCNDRBDJYRH-MKBNYLNASA-N 1 0 321.377 1.582 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H]([NH2+]CCO)C2)c1C ZINC001342335042 872153705 /nfs/dbraw/zinc/15/37/05/872153705.db2.gz WOPIANLXFHWCAA-ZDUSSCGKSA-N 1 0 321.377 1.398 20 5 DDBDRO [NH3+]C[C@@]12CC[C@@H]1CCCN2C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC001342959945 872451726 /nfs/dbraw/zinc/45/17/26/872451726.db2.gz KPORYVJSFXPTHO-BBRMVZONSA-N 1 0 303.362 1.867 20 5 DDBDRO CN(C(=O)CCc1c(Cl)cccc1[N+](=O)[O-])[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001343577826 872676436 /nfs/dbraw/zinc/67/64/36/872676436.db2.gz WEKSYJQBALGQAI-HBYGRHMLSA-N 1 0 323.780 1.857 20 5 DDBDRO CCN(C(=O)CN(C)c1ccccc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC001343640933 872697788 /nfs/dbraw/zinc/69/77/88/872697788.db2.gz LSQVDYUXVKRZCI-UHFFFAOYSA-N 1 0 320.393 1.632 20 5 DDBDRO O=[N+]([O-])c1ccc(NCC[NH2+]C[C@H](O)c2ccccn2)cc1 ZINC001346135495 873620339 /nfs/dbraw/zinc/62/03/39/873620339.db2.gz GESUEYHFNFRKST-HNNXBMFYSA-N 1 0 302.334 1.725 20 5 DDBDRO CC(=O)c1c(Cl)cccc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001227008620 882774396 /nfs/dbraw/zinc/77/43/96/882774396.db2.gz MWWCCIHIVYZRNM-LLVKDONJSA-N 1 0 314.789 1.905 20 5 DDBDRO CO[C@H](C[NH3+])Cc1nc(-c2cc(C)c([N+](=O)[O-])cc2C)no1 ZINC001349005519 874920119 /nfs/dbraw/zinc/92/01/19/874920119.db2.gz OZZLDVQAMMRDBH-JTQLQIEISA-N 1 0 306.322 1.778 20 5 DDBDRO COC(=O)c1c(COC[C@@H]2CN(C)CCO2)cccc1[N+](=O)[O-] ZINC001223296153 880911914 /nfs/dbraw/zinc/91/19/14/880911914.db2.gz YFHAKBRSCWWWCG-LBPRGKRZSA-N 1 0 324.333 1.229 20 5 DDBDRO COc1cc2ccc(=O)oc2c(O[C@H](C)C[N+](C)(C)C)c1O ZINC001229216835 883879245 /nfs/dbraw/zinc/87/92/45/883879245.db2.gz VFAFTUOYXXWDDC-SNVBAGLBSA-O 1 0 308.354 1.981 20 5 DDBDRO CCC(=O)c1ccc(OC)cc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001229447833 883988591 /nfs/dbraw/zinc/98/85/91/883988591.db2.gz WJCBYRRQDITNCL-GFCCVEGCSA-N 1 0 324.397 1.651 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2C[C@@H](F)[C@@H]([NH3+])C2)c1F ZINC001246523995 892675515 /nfs/dbraw/zinc/67/55/15/892675515.db2.gz CVYZHGGKYKCIFA-IEBDPFPHSA-N 1 0 315.320 1.655 20 5 DDBDRO COC(=O)[C@@H]1C[C@H]([NH3+])CN1[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001246903677 892978309 /nfs/dbraw/zinc/97/83/09/892978309.db2.gz KSRGJXOBTOSQII-JKOKRWQUSA-N 1 0 307.350 1.100 20 5 DDBDRO [NH3+]C[C@H]1CN(C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCO1 ZINC001254466169 896454001 /nfs/dbraw/zinc/45/40/01/896454001.db2.gz WLYJRJZEXBTIHZ-INIZCTEOSA-N 1 0 320.393 1.223 20 5 DDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CC2(C1)CS(=O)(=O)C2 ZINC001254537998 896494588 /nfs/dbraw/zinc/49/45/88/896494588.db2.gz LSIHTENYEPZWCG-NSHDSACASA-N 1 0 324.402 1.693 20 5 DDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CCO[C@H](C[NH+](C)C)C1 ZINC001254552448 896498359 /nfs/dbraw/zinc/49/83/59/896498359.db2.gz MDEZVKHMQDVBSU-DZGCQCFKSA-N 1 0 307.394 1.788 20 5 DDBDRO COCCn1cncc1C[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254575170 896511725 /nfs/dbraw/zinc/51/17/25/896511725.db2.gz PGHRYGZIEFYWMK-CQSZACIVSA-N 1 0 316.361 1.695 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]C1CN(CC(F)(F)F)C1)C2 ZINC001254589040 896519398 /nfs/dbraw/zinc/51/93/98/896519398.db2.gz LWIJDIZPZASKCI-NSHDSACASA-N 1 0 315.295 1.898 20 5 DDBDRO CC(=O)N1CCC[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254601096 896524841 /nfs/dbraw/zinc/52/48/41/896524841.db2.gz ZGLCGSBFIFJSJL-MRXNPFEDSA-N 1 0 303.362 1.616 20 5 DDBDRO CCN(C(=O)CCn1nc(C)c([N+](=O)[O-])c1C)[C@@H]1CC[NH2+]C1 ZINC001262047322 899913490 /nfs/dbraw/zinc/91/34/90/899913490.db2.gz NBOMICUYKIQFNL-GFCCVEGCSA-N 1 0 309.370 1.009 20 5 DDBDRO C[C@H](CNC(=O)NCC[C@@H]1CC[NH2+]C1)c1ccccc1[N+](=O)[O-] ZINC001262584826 900262270 /nfs/dbraw/zinc/26/22/70/900262270.db2.gz MLDYQLFSOHWDSX-OLZOCXBDSA-N 1 0 320.393 1.997 20 5 DDBDRO O=C(NC[C@]12CCC[C@H]1[NH2+]CC2)c1cc(F)ccc1[N+](=O)[O-] ZINC001263207134 900532036 /nfs/dbraw/zinc/53/20/36/900532036.db2.gz SKWGMOQHJNTZFH-UKRRQHHQSA-N 1 0 307.325 1.996 20 5 DDBDRO O=C(NC1(C2CC[NH2+]CC2)CC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC001263246718 900547605 /nfs/dbraw/zinc/54/76/05/900547605.db2.gz ZIGJPWKEUODZIA-UHFFFAOYSA-N 1 0 307.325 1.996 20 5 DDBDRO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cc([N+](=O)[O-])ccc3F)[C@H]2C1 ZINC001263980098 900854085 /nfs/dbraw/zinc/85/40/85/900854085.db2.gz NEVFFFPZJIZKOD-DUFXMDAXSA-N 1 0 307.325 1.804 20 5 DDBDRO CCN(CCC[NH+]1CCCC1)C(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001296552433 916469777 /nfs/dbraw/zinc/46/97/77/916469777.db2.gz HHJLBTBPCBGUFY-UHFFFAOYSA-N 1 0 321.381 1.520 20 5 DDBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)CS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000081902067 192336510 /nfs/dbraw/zinc/33/65/10/192336510.db2.gz KNUZDDZCJKMIJF-QWRGUYRKSA-N 1 0 300.380 1.987 20 5 DDBDRO Cc1cnc(N2CC[N@H+](C3CCOCC3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000278651100 214303059 /nfs/dbraw/zinc/30/30/59/214303059.db2.gz DONPPXDIJPIHRP-ZDUSSCGKSA-N 1 0 320.393 1.988 20 5 DDBDRO COCCN1CC[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000278714469 214347146 /nfs/dbraw/zinc/34/71/46/214347146.db2.gz OWEDLDITSDGYJV-NSHDSACASA-N 1 0 319.365 1.281 20 5 DDBDRO CCOc1cc(C[N@@H+]2CC[C@]3(CNC(=O)C3)C2)ccc1[N+](=O)[O-] ZINC000278779445 214396490 /nfs/dbraw/zinc/39/64/90/214396490.db2.gz DBNAGSRALJTOQX-INIZCTEOSA-N 1 0 319.361 1.706 20 5 DDBDRO CC[C@@H]1[C@@H](CO)CC[N@@H+]1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000451253359 529480548 /nfs/dbraw/zinc/48/05/48/529480548.db2.gz JNZSTJUTPAXASJ-IUODEOHRSA-N 1 0 321.377 1.935 20 5 DDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@@H]1CCCC[N@H+]1CCO ZINC000452390477 231375526 /nfs/dbraw/zinc/37/55/26/231375526.db2.gz OFHNHNCEUUGBNP-HNNXBMFYSA-N 1 0 321.377 1.100 20 5 DDBDRO CC[C@H]([NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)NC ZINC000449773609 529664805 /nfs/dbraw/zinc/66/48/05/529664805.db2.gz KKIITDFVVHGOAV-MFKMUULPSA-N 1 0 322.365 1.426 20 5 DDBDRO CC(C)[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)CCS1 ZINC000090551233 185302699 /nfs/dbraw/zinc/30/26/99/185302699.db2.gz KJWXBHPLYSUPIB-ZDUSSCGKSA-N 1 0 311.407 1.830 20 5 DDBDRO CC(C)CO[C@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090552306 185303036 /nfs/dbraw/zinc/30/30/36/185303036.db2.gz ZWIAVYVWMGIOGR-AWEZNQCLSA-N 1 0 309.366 1.503 20 5 DDBDRO CC[C@H](C)[N@H+](C)CCNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000181418558 199293936 /nfs/dbraw/zinc/29/39/36/199293936.db2.gz ANODRUJPMIVBEZ-JTQLQIEISA-N 1 0 323.349 1.784 20 5 DDBDRO CC[N@@H+]1CCC[C@@H](NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000181606769 199326453 /nfs/dbraw/zinc/32/64/53/199326453.db2.gz JPYXOAIKOIKUMK-LLVKDONJSA-N 1 0 321.333 1.538 20 5 DDBDRO C[NH2+]C[C@@H](C)CNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000418369073 529982343 /nfs/dbraw/zinc/98/23/43/529982343.db2.gz SVLIIZFHNYQCHR-LLVKDONJSA-N 1 0 308.382 1.985 20 5 DDBDRO C[NH2+]C[C@H]1CCCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000417235650 530000882 /nfs/dbraw/zinc/00/08/82/530000882.db2.gz RWPGBQHRWZYCKH-CQSZACIVSA-N 1 0 320.393 1.778 20 5 DDBDRO C[N@@H+]1CCC[C@@H](CCNC(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000458178851 530054665 /nfs/dbraw/zinc/05/46/65/530054665.db2.gz XEUUUKAKUIFLAQ-ZDUSSCGKSA-N 1 0 305.378 1.985 20 5 DDBDRO CN1CC[N@H+](C)C[C@H]1CNc1nccc2ccc([N+](=O)[O-])cc21 ZINC000413149591 530071284 /nfs/dbraw/zinc/07/12/84/530071284.db2.gz VAHCVMPHWOXKCH-CQSZACIVSA-N 1 0 315.377 1.801 20 5 DDBDRO COc1cc(C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc([N+](=O)[O-])c1C ZINC000457382358 232045242 /nfs/dbraw/zinc/04/52/42/232045242.db2.gz RMJMZCWTVSJXQY-DGCLKSJQSA-N 1 0 319.361 1.593 20 5 DDBDRO C[NH+](C)[C@@H]1CCC[C@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000616175495 362574555 /nfs/dbraw/zinc/57/45/55/362574555.db2.gz HXRCTGOUFHZOEE-CHWSQXEVSA-N 1 0 313.379 1.356 20 5 DDBDRO O=C(NCCNc1ccccc1[N+](=O)[O-])[C@H]1CCC[N@@H+]1C1CC1 ZINC000279646289 215030069 /nfs/dbraw/zinc/03/00/69/215030069.db2.gz BEEXUOKDORHDDC-OAHLLOKOSA-N 1 0 318.377 1.750 20 5 DDBDRO CSCC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)C ZINC000342308199 282547956 /nfs/dbraw/zinc/54/79/56/282547956.db2.gz NGCKIJICRQOLGJ-ZDUSSCGKSA-N 1 0 311.407 1.894 20 5 DDBDRO Cc1nn(CCC(=O)N2CC[C@H](C[NH+](C)C)C2)c(C)c1[N+](=O)[O-] ZINC000172171514 198051469 /nfs/dbraw/zinc/05/14/69/198051469.db2.gz IYVLMDTWXMSHNM-CYBMUJFWSA-N 1 0 323.397 1.208 20 5 DDBDRO C[C@]1(O)CCC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000280086620 215364591 /nfs/dbraw/zinc/36/45/91/215364591.db2.gz OETZZGNDABLOOQ-HOCLYGCPSA-N 1 0 324.377 1.571 20 5 DDBDRO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCC[C@@H](OCCO)C2)cc1 ZINC000172293478 198073263 /nfs/dbraw/zinc/07/32/63/198073263.db2.gz SWXXYFDCEJVILC-MRXNPFEDSA-N 1 0 324.377 1.837 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NCC1([NH+](C)C)CCCC1 ZINC000042764051 352350958 /nfs/dbraw/zinc/35/09/58/352350958.db2.gz YKBSHIPIFIVLNW-UHFFFAOYSA-N 1 0 306.366 1.902 20 5 DDBDRO CNC(=O)c1ccc(N2CC[NH+](CC3CC3)CC2)c([N+](=O)[O-])c1 ZINC000053574566 352661492 /nfs/dbraw/zinc/66/14/92/352661492.db2.gz ZIMMYYYGZZYPHG-UHFFFAOYSA-N 1 0 318.377 1.486 20 5 DDBDRO CNc1ccc(C(=O)NCC(C)(C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000053677038 352663837 /nfs/dbraw/zinc/66/38/37/352663837.db2.gz DXNOZAMGSSQONL-UHFFFAOYSA-N 1 0 308.382 1.954 20 5 DDBDRO C[NH+](C)C1(CNC(=O)COc2cccc([N+](=O)[O-])c2)CCCC1 ZINC000056529540 352777145 /nfs/dbraw/zinc/77/71/45/352777145.db2.gz VNOAQSYQZBYOMR-UHFFFAOYSA-N 1 0 321.377 1.964 20 5 DDBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000066149655 352980016 /nfs/dbraw/zinc/98/00/16/352980016.db2.gz FUMGNXZAWJCOPP-LLVKDONJSA-N 1 0 311.386 1.373 20 5 DDBDRO CC[NH+]1CCC(CNC(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000067682957 353062060 /nfs/dbraw/zinc/06/20/60/353062060.db2.gz IYPAHNYWFDDZPQ-UHFFFAOYSA-N 1 0 305.378 1.985 20 5 DDBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2c([N+](=O)[O-])c(C)nn2C)C1 ZINC000173591491 198230788 /nfs/dbraw/zinc/23/07/88/198230788.db2.gz DNHMGDNHRJXJGW-GFCCVEGCSA-N 1 0 323.397 1.441 20 5 DDBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000069139261 353148359 /nfs/dbraw/zinc/14/83/59/353148359.db2.gz UTAAEWABFIKOIN-ZDUSSCGKSA-N 1 0 321.377 1.822 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@@H]2CCC[C@H]2O)c1 ZINC000564973876 304031821 /nfs/dbraw/zinc/03/18/21/304031821.db2.gz AFWNLJLJWKUUMN-NJZAAPMLSA-N 1 0 310.350 1.085 20 5 DDBDRO NS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000074288477 353304776 /nfs/dbraw/zinc/30/47/76/353304776.db2.gz LXODERJXTFFJAO-GFCCVEGCSA-N 1 0 313.379 1.095 20 5 DDBDRO COc1ccc([C@@H](CO)[N@H+](C)CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000174861038 198394058 /nfs/dbraw/zinc/39/40/58/198394058.db2.gz WQNQAXAKUQLYRN-OAHLLOKOSA-N 1 0 320.349 1.465 20 5 DDBDRO CCC[N@H+](C)C[C@@H]1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000078562777 353521683 /nfs/dbraw/zinc/52/16/83/353521683.db2.gz OABDMTCCLHWNBH-LBPRGKRZSA-N 1 0 320.393 1.862 20 5 DDBDRO CCCc1n[nH]c(C(=O)N2CCC[C@@H]([NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000277096734 213290626 /nfs/dbraw/zinc/29/06/26/213290626.db2.gz CBCKHUJKYUDRQN-LLVKDONJSA-N 1 0 323.397 1.827 20 5 DDBDRO CCOC(=O)c1ccnc(N[C@@H](C)CC[NH+](C)C)c1[N+](=O)[O-] ZINC000077937577 353497804 /nfs/dbraw/zinc/49/78/04/353497804.db2.gz DYAVIBRVLKYDOL-JTQLQIEISA-N 1 0 310.354 1.919 20 5 DDBDRO CC[N@@H+]1CCCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000080160867 353594440 /nfs/dbraw/zinc/59/44/40/353594440.db2.gz WILQFJRNQPMLST-UHFFFAOYSA-N 1 0 320.393 1.585 20 5 DDBDRO COc1cc(C(=O)NC[C@H](C2CC2)[NH+](C)C)cc([N+](=O)[O-])c1C ZINC000358614076 299207766 /nfs/dbraw/zinc/20/77/66/299207766.db2.gz SKGBHYOGTISTST-CQSZACIVSA-N 1 0 321.377 1.982 20 5 DDBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@]1(O)CCOC1 ZINC000090848278 353798997 /nfs/dbraw/zinc/79/89/97/353798997.db2.gz NJVCJXXXALWASL-ABAIWWIYSA-N 1 0 323.349 1.053 20 5 DDBDRO COC1CCC([N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000090549564 353795180 /nfs/dbraw/zinc/79/51/80/353795180.db2.gz PHHWDKGAOKXELG-UHFFFAOYSA-N 1 0 309.366 1.646 20 5 DDBDRO COC(=O)c1cc(NC(=O)CC[NH2+]C(C)C)cc([N+](=O)[O-])c1 ZINC000153824586 354201824 /nfs/dbraw/zinc/20/18/24/354201824.db2.gz ZRGLCJAIRIUNFM-UHFFFAOYSA-N 1 0 309.322 1.708 20 5 DDBDRO CN(CC(=O)N[C@@H]1CCC[C@H]([NH3+])C1)c1ccccc1[N+](=O)[O-] ZINC000162087843 354245137 /nfs/dbraw/zinc/24/51/37/354245137.db2.gz VBKDLEZUINEHLT-NWDGAFQWSA-N 1 0 306.366 1.417 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@@H]2CCCCS2)c1 ZINC000156463465 354219426 /nfs/dbraw/zinc/21/94/26/354219426.db2.gz WHIVKQKDXVHLMT-RYUDHWBXSA-N 1 0 300.384 1.028 20 5 DDBDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])nn2C)C[C@@H](C)C1 ZINC000346178543 283014152 /nfs/dbraw/zinc/01/41/52/283014152.db2.gz LLZLRWIMXJCWIV-SRVKXCTJSA-N 1 0 321.381 1.131 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)C[C@@H](O)C1CC1 ZINC000305233213 354469795 /nfs/dbraw/zinc/46/97/95/354469795.db2.gz MQDMZYPZIPOCBJ-OAHLLOKOSA-N 1 0 321.377 1.935 20 5 DDBDRO C[C@H]1[NH2+]CC[C@H]1C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000320802877 354529065 /nfs/dbraw/zinc/52/90/65/354529065.db2.gz PTKUDCSIFGVFKT-CHWSQXEVSA-N 1 0 318.377 1.241 20 5 DDBDRO C[C@@H]([NH3+])C[C@@H](C)NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000320170349 354525406 /nfs/dbraw/zinc/52/54/06/354525406.db2.gz XHTQQBDZYAARDT-NXEZZACHSA-N 1 0 301.368 1.140 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCC1(C[NH3+])CC1 ZINC000404841248 354676344 /nfs/dbraw/zinc/67/63/44/354676344.db2.gz MQBXPRLOEQLASR-UHFFFAOYSA-N 1 0 313.379 1.311 20 5 DDBDRO COc1cc(C(=O)NCCC2(C[NH3+])CC2)c([N+](=O)[O-])cc1OC ZINC000404674318 354676916 /nfs/dbraw/zinc/67/69/16/354676916.db2.gz DQHYFBOMTSPLCA-UHFFFAOYSA-N 1 0 323.349 1.471 20 5 DDBDRO O=[N+]([O-])c1ccc2nc(N3CC[N@@H+]4C[C@H](O)C[C@H]4C3)ccc2c1 ZINC000405210732 354677099 /nfs/dbraw/zinc/67/70/99/354677099.db2.gz HZTAWBQJAIABEO-UONOGXRCSA-N 1 0 314.345 1.398 20 5 DDBDRO CCO[C@@H]1CN(C(=O)c2ccc(C)c([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000405351255 354678838 /nfs/dbraw/zinc/67/88/38/354678838.db2.gz USLJYXIDYIEANW-TZMCWYRMSA-N 1 0 307.350 1.339 20 5 DDBDRO C[C@@H](CNc1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C)C[NH+](C)C ZINC000589870760 355027188 /nfs/dbraw/zinc/02/71/88/355027188.db2.gz QELYHAPRBAFKNT-JTQLQIEISA-N 1 0 321.381 1.395 20 5 DDBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000590566935 355114911 /nfs/dbraw/zinc/11/49/11/355114911.db2.gz SVJYMRHYZUMJDY-ZANVPECISA-N 1 0 317.349 1.636 20 5 DDBDRO C[N@@H+]1C[C@H]2CCN(C(=O)COc3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000590443437 355097540 /nfs/dbraw/zinc/09/75/40/355097540.db2.gz IRCCTHOBQYUGRL-RISCZKNCSA-N 1 0 305.334 1.136 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC000590446501 355099819 /nfs/dbraw/zinc/09/98/19/355099819.db2.gz VZFCVKRQXNRXCN-GXFFZTMASA-N 1 0 305.334 1.380 20 5 DDBDRO COCC1([NH2+]CCOc2ccccc2[N+](=O)[O-])CCOCC1 ZINC000590602357 355128077 /nfs/dbraw/zinc/12/80/77/355128077.db2.gz ZRNISZASIWZKHT-UHFFFAOYSA-N 1 0 310.350 1.759 20 5 DDBDRO C[C@@H]([NH3+])CNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000591356410 355298008 /nfs/dbraw/zinc/29/80/08/355298008.db2.gz VTQWIELIIQGJLU-MRVPVSSYSA-N 1 0 300.746 1.437 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000591291889 355281205 /nfs/dbraw/zinc/28/12/05/355281205.db2.gz GSXVPAKUPJXEBF-LLVKDONJSA-N 1 0 320.349 1.100 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000591298576 355283131 /nfs/dbraw/zinc/28/31/31/355283131.db2.gz FZJLKPFCDQTFIJ-BXUZGUMPSA-N 1 0 322.365 1.792 20 5 DDBDRO COc1ccc(NC(=O)N[C@@H]2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000591297661 355283339 /nfs/dbraw/zinc/28/33/39/355283339.db2.gz YOLQWUHCAYDJPT-SNVBAGLBSA-N 1 0 308.338 1.867 20 5 DDBDRO C[C@@H]1C[C@H]1c1ccc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)o1 ZINC000591729270 355373780 /nfs/dbraw/zinc/37/37/80/355373780.db2.gz YNHLQCAURCNXJE-SCDSUCTJSA-N 1 0 320.349 1.658 20 5 DDBDRO CN1CCC[C@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000591733988 355374101 /nfs/dbraw/zinc/37/41/01/355374101.db2.gz SJHFNNOYBYLQBE-STQMWFEESA-N 1 0 309.366 1.018 20 5 DDBDRO Cc1ccc(OC[C@@H](O)C[NH2+]CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000591756593 355378082 /nfs/dbraw/zinc/37/80/82/355378082.db2.gz ILERZCRLIKTEOW-AWEZNQCLSA-N 1 0 320.349 1.129 20 5 DDBDRO CC(C)OCC[C@@H](O)C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000591763581 355379595 /nfs/dbraw/zinc/37/95/95/355379595.db2.gz KEIKFSVLVDBOSM-GFCCVEGCSA-N 1 0 322.365 1.737 20 5 DDBDRO Cc1nn(C)c(C(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)c1[N+](=O)[O-] ZINC000591651810 355353781 /nfs/dbraw/zinc/35/37/81/355353781.db2.gz WYJHAGUSYROBEY-SNVBAGLBSA-N 1 0 321.381 1.241 20 5 DDBDRO Cc1nn(CCC(=O)N2CC[NH2+]CC2(C)C)c(C)c1[N+](=O)[O-] ZINC000591678571 355360356 /nfs/dbraw/zinc/36/03/56/355360356.db2.gz YOWQOZXDAQUOPN-UHFFFAOYSA-N 1 0 309.370 1.009 20 5 DDBDRO O=C(NC[C@@H]1CCCC[NH2+]1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000591677300 355360449 /nfs/dbraw/zinc/36/04/49/355360449.db2.gz HSIHLRHNUPHDEO-JTQLQIEISA-N 1 0 321.333 1.238 20 5 DDBDRO CC[C@H]1CN(C(=O)c2cccc(OC)c2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000592331316 355561150 /nfs/dbraw/zinc/56/11/50/355561150.db2.gz IEXYUHHPMWAAQH-CMPLNLGQSA-N 1 0 307.350 1.803 20 5 DDBDRO CC[C@@H]1CN(C(=O)c2ccc(NC)c([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000592332330 355561297 /nfs/dbraw/zinc/56/12/97/355561297.db2.gz WOKUIUCFNRBELN-ZYHUDNBSSA-N 1 0 306.366 1.836 20 5 DDBDRO COc1cccc(C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)c1[N+](=O)[O-] ZINC000592244268 355545837 /nfs/dbraw/zinc/54/58/37/355545837.db2.gz GOAZRFDOKSUSEL-CMPLNLGQSA-N 1 0 305.334 1.427 20 5 DDBDRO CC[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC[C@H]1[NH3+] ZINC000592382225 355571446 /nfs/dbraw/zinc/57/14/46/355571446.db2.gz HTUVUAPRPZWZCZ-DTWKUNHWSA-N 1 0 319.408 1.404 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000592398173 355574994 /nfs/dbraw/zinc/57/49/94/355574994.db2.gz QSMYXMVEWILAFX-GHMZBOCLSA-N 1 0 315.395 1.616 20 5 DDBDRO C[C@@H]([NH3+])[C@H](C)NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000592556914 355628079 /nfs/dbraw/zinc/62/80/79/355628079.db2.gz QEMWULPGSJRNCK-NEPJUHHUSA-N 1 0 320.393 1.663 20 5 DDBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2C[C@@H]3C[C@H]2C[S@]3=O)cc1 ZINC000593103322 355799315 /nfs/dbraw/zinc/79/93/15/355799315.db2.gz YTKLWFOTSNMACI-QENPMARHSA-N 1 0 310.375 1.569 20 5 DDBDRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])o3)C2)C1 ZINC000593913834 356057216 /nfs/dbraw/zinc/05/72/16/356057216.db2.gz WGCVKUONORMFFN-DMDPSCGWSA-N 1 0 323.349 1.546 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000594025433 356093209 /nfs/dbraw/zinc/09/32/09/356093209.db2.gz LFSIHTKIQZFGKR-VHDGCEQUSA-N 1 0 305.378 1.715 20 5 DDBDRO COc1ccc(NC(=O)[C@H]2C[C@]23CCC[NH2+]C3)cc1[N+](=O)[O-] ZINC000594437281 356213812 /nfs/dbraw/zinc/21/38/12/356213812.db2.gz VIGZRIQEFKXAMS-ABAIWWIYSA-N 1 0 305.334 1.932 20 5 DDBDRO C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000594475015 356229500 /nfs/dbraw/zinc/22/95/00/356229500.db2.gz RGJYZJOTCBRCIH-PHIMTYICSA-N 1 0 313.379 1.213 20 5 DDBDRO CCc1n[nH]c(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000594418566 356204150 /nfs/dbraw/zinc/20/41/50/356204150.db2.gz KDZXQNSEIRHDJO-VXGBXAGGSA-N 1 0 321.381 1.627 20 5 DDBDRO O=[N+]([O-])c1ccc(-n2cc(CC[NH+]3CCCCC3)nn2)nc1 ZINC000594648648 356272907 /nfs/dbraw/zinc/27/29/07/356272907.db2.gz CRTKIYWXNKGCSI-UHFFFAOYSA-N 1 0 302.338 1.599 20 5 DDBDRO O=[N+]([O-])c1ccc(C[NH2+]C2CCN([C@@H]3CCOC3)CC2)cc1 ZINC000594502527 356238134 /nfs/dbraw/zinc/23/81/34/356238134.db2.gz KIIUTQHOMRAUKZ-MRXNPFEDSA-N 1 0 305.378 1.938 20 5 DDBDRO O=[N+]([O-])c1ccccc1CNC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000594501974 356238781 /nfs/dbraw/zinc/23/87/81/356238781.db2.gz GNAVEBJPJOMEAZ-OAHLLOKOSA-N 1 0 305.378 1.938 20 5 DDBDRO [NH3+]C[C@@H](NC(=O)NCc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000594523407 356242415 /nfs/dbraw/zinc/24/24/15/356242415.db2.gz BGTZPRSGAPIODS-SECBINFHSA-N 1 0 306.244 1.284 20 5 DDBDRO COc1ccc(C[NH2+]C[C@@H](OC)[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000594950081 356363204 /nfs/dbraw/zinc/36/32/04/356363204.db2.gz HNVJAZSGZVRAMZ-IUODEOHRSA-N 1 0 310.350 1.745 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)CC(C)(C)[NH3+])cc1C ZINC000595115133 356384033 /nfs/dbraw/zinc/38/40/33/356384033.db2.gz AJXDIDLMQKGXTG-UHFFFAOYSA-N 1 0 315.395 1.569 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NCC1([NH3+])CCCC1 ZINC000595229420 356412705 /nfs/dbraw/zinc/41/27/05/356412705.db2.gz YAHDTMJVDTXIPP-UHFFFAOYSA-N 1 0 308.338 1.996 20 5 DDBDRO COc1ccc(CNC(=O)C2([NH3+])CC3(CCC3)C2)cc1[N+](=O)[O-] ZINC000595248819 356417139 /nfs/dbraw/zinc/41/71/39/356417139.db2.gz HZUQTMYAELOVHM-UHFFFAOYSA-N 1 0 319.361 1.881 20 5 DDBDRO C[C@@H]1CCCN(C(=O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1CCC[NH3+] ZINC000595258501 356422885 /nfs/dbraw/zinc/42/28/85/356422885.db2.gz OJTFPUZMNSKSFW-DGCLKSJQSA-N 1 0 309.370 1.157 20 5 DDBDRO [NH3+][C@@H]1CN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[C@H]1F ZINC000595260930 356424444 /nfs/dbraw/zinc/42/44/44/356424444.db2.gz NRKJZKUWSPRHSD-RKDXNWHRSA-N 1 0 301.705 1.760 20 5 DDBDRO CC(C)(NC(=O)NCC12CC(C1)C[NH2+]2)c1ccccc1[N+](=O)[O-] ZINC000595272661 356428179 /nfs/dbraw/zinc/42/81/79/356428179.db2.gz CYYUPTFTAWHCRC-UHFFFAOYSA-N 1 0 318.377 1.881 20 5 DDBDRO CNC(=O)[C@H](C)C[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000081556137 192290567 /nfs/dbraw/zinc/29/05/67/192290567.db2.gz FHHCUHKBWNXXPX-LLVKDONJSA-N 1 0 322.365 1.237 20 5 DDBDRO [NH3+]C[C@@H]1CCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000347110713 283180782 /nfs/dbraw/zinc/18/07/82/283180782.db2.gz PSKNHWOCSDSJKX-VIFPVBQESA-N 1 0 301.293 1.977 20 5 DDBDRO CC(C)(CO)[NH+]1CCN(c2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC000618153208 363479667 /nfs/dbraw/zinc/47/96/67/363479667.db2.gz KFMIEGRHJKCDJK-UHFFFAOYSA-N 1 0 320.393 1.456 20 5 DDBDRO Cc1c(CNC(=O)N(C)CC2C[NH+](C)C2)cccc1[N+](=O)[O-] ZINC000595587550 356564657 /nfs/dbraw/zinc/56/46/57/356564657.db2.gz HYRPZJCFLWPUIW-UHFFFAOYSA-N 1 0 306.366 1.606 20 5 DDBDRO COc1cc(C[N@@H+]2CC[C@@H](Cn3ccnn3)C2)ccc1[N+](=O)[O-] ZINC000595607971 356574705 /nfs/dbraw/zinc/57/47/05/356574705.db2.gz MDYPAKFZKWAYHZ-CYBMUJFWSA-N 1 0 317.349 1.717 20 5 DDBDRO O=C(CC[NH2+][C@@H](CO)C1CCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000595617901 356580113 /nfs/dbraw/zinc/58/01/13/356580113.db2.gz VMNZOGWUYKQUFO-AWEZNQCLSA-N 1 0 307.350 1.674 20 5 DDBDRO C[C@H]1C[NH+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@H](C)C1O ZINC000595747689 356633854 /nfs/dbraw/zinc/63/38/54/356633854.db2.gz CCBQRMISJONFKC-QWRGUYRKSA-N 1 0 322.361 1.910 20 5 DDBDRO C[NH2+][C@@H]1CCCN(S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])C1 ZINC000601342784 358507586 /nfs/dbraw/zinc/50/75/86/358507586.db2.gz FEVNKKDNSWWPGN-SECBINFHSA-N 1 0 319.408 1.337 20 5 DDBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H]3COC[C@H]3C2)c2c(c1)COCO2 ZINC000595830708 356667922 /nfs/dbraw/zinc/66/79/22/356667922.db2.gz LGUJHLHFENSEBX-BXUZGUMPSA-N 1 0 320.345 1.930 20 5 DDBDRO COc1ccc(OCCN2CC[C@@H](F)[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000595905265 356699886 /nfs/dbraw/zinc/69/98/86/356699886.db2.gz AVOSSFAYKKCKNA-VXGBXAGGSA-N 1 0 313.329 1.353 20 5 DDBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000595906965 356700786 /nfs/dbraw/zinc/70/07/86/356700786.db2.gz PHBDPEZDUIEGEI-GMTAPVOTSA-N 1 0 310.329 1.293 20 5 DDBDRO O=C(NCc1cccc([N+](=O)[O-])c1)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000595924264 356706535 /nfs/dbraw/zinc/70/65/35/356706535.db2.gz JRPWNNZKUWZDIV-NSHDSACASA-N 1 0 315.333 1.325 20 5 DDBDRO C[NH2+]C[C@@H](C)NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000595985002 356736286 /nfs/dbraw/zinc/73/62/86/356736286.db2.gz ZOLTXELWEPQBNG-SSDOTTSWSA-N 1 0 316.155 1.695 20 5 DDBDRO CC(C)[C@H]([NH3+])CCNC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000595987478 356736670 /nfs/dbraw/zinc/73/66/70/356736670.db2.gz LVNJIOYBFHKMHD-GFCCVEGCSA-N 1 0 308.382 1.521 20 5 DDBDRO C[C@H](C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000596065410 356758480 /nfs/dbraw/zinc/75/84/80/356758480.db2.gz GHYIDKIXXRMUBB-IUODEOHRSA-N 1 0 310.398 1.958 20 5 DDBDRO CCCN1CC[C@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000596067270 356760456 /nfs/dbraw/zinc/76/04/56/356760456.db2.gz YGPNBXUNMFOTCT-UONOGXRCSA-N 1 0 323.393 1.408 20 5 DDBDRO C[NH2+]C[C@@H](C)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000237174971 202177293 /nfs/dbraw/zinc/17/72/93/202177293.db2.gz TYOLDUVNKWAYJL-GFCCVEGCSA-N 1 0 306.366 1.099 20 5 DDBDRO C[NH+]1CCC2(CCN(c3ccc([N+](=O)[O-])c(C(N)=O)c3)C2)CC1 ZINC000596238161 356828158 /nfs/dbraw/zinc/82/81/58/356828158.db2.gz KIPJHNLROZBHHV-UHFFFAOYSA-N 1 0 318.377 1.616 20 5 DDBDRO C[C@@H](CNc1ccc([N+](=O)[O-])c(C(N)=O)c1)C[NH+]1CCOCC1 ZINC000596136172 356786413 /nfs/dbraw/zinc/78/64/13/356786413.db2.gz VLLLPVQXIHKWBF-NSHDSACASA-N 1 0 322.365 1.074 20 5 DDBDRO O=c1[nH]ccc(N2CCC(CO)([NH2+]CC3CC3)CC2)c1[N+](=O)[O-] ZINC000596262844 356836254 /nfs/dbraw/zinc/83/62/54/356836254.db2.gz FUHNUTOXOMACIM-UHFFFAOYSA-N 1 0 322.365 1.026 20 5 DDBDRO Cc1cc(OCC(=O)N2CC(C[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000597705234 357294032 /nfs/dbraw/zinc/29/40/32/357294032.db2.gz BMYULEXTHBBHNX-UHFFFAOYSA-N 1 0 307.350 1.302 20 5 DDBDRO CCN(C(=O)CNc1ccccc1[N+](=O)[O-])[C@@H]1CC[N@H+](CC)C1 ZINC000598040928 357438090 /nfs/dbraw/zinc/43/80/90/357438090.db2.gz JKFYCCIUYZAVBY-CYBMUJFWSA-N 1 0 320.393 1.949 20 5 DDBDRO COc1ccc(CC(=O)N(C)CC2C[NH+](C)C2)cc1[N+](=O)[O-] ZINC000598162571 357478475 /nfs/dbraw/zinc/47/84/75/357478475.db2.gz JPEPATZMHLBSNS-UHFFFAOYSA-N 1 0 307.350 1.166 20 5 DDBDRO COC(=O)c1ccnc(N[C@H]2CC[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000598589199 357642754 /nfs/dbraw/zinc/64/27/54/357642754.db2.gz RSJRFBXIRZPTCH-VIFPVBQESA-N 1 0 306.322 1.425 20 5 DDBDRO COC(=O)c1ccnc(N[C@H]2CC[N@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000598599464 357648826 /nfs/dbraw/zinc/64/88/26/357648826.db2.gz OIWMFSGPDNZREM-UWVGGRQHSA-N 1 0 308.338 1.671 20 5 DDBDRO COC(=O)c1ccnc(N2CCC[C@@H]([NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000598620210 357656961 /nfs/dbraw/zinc/65/69/61/357656961.db2.gz JPWPNWDIGSGODR-LLVKDONJSA-N 1 0 322.365 1.697 20 5 DDBDRO [NH3+][C@]12CCC[C@H]1CN(C(=O)COc1ccc([N+](=O)[O-])cc1)C2 ZINC000598667442 357677195 /nfs/dbraw/zinc/67/71/95/357677195.db2.gz HIGMJPKHUJSQLL-NHYWBVRUSA-N 1 0 305.334 1.313 20 5 DDBDRO Cn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)n1 ZINC000598563068 357634360 /nfs/dbraw/zinc/63/43/60/357634360.db2.gz ZXLLAWLYSUKOFZ-LBPRGKRZSA-N 1 0 321.381 1.180 20 5 DDBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)NC1(CCO)C[NH2+]C1 ZINC000598913536 357756884 /nfs/dbraw/zinc/75/68/84/357756884.db2.gz LASZZTJXNYSFNR-UHFFFAOYSA-N 1 0 314.729 1.094 20 5 DDBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1COCCN1C ZINC000599082686 357809656 /nfs/dbraw/zinc/80/96/56/357809656.db2.gz YHRYJJVNSGXWQN-ZFWWWQNUSA-N 1 0 307.394 1.836 20 5 DDBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CCCN1C ZINC000599087540 357811341 /nfs/dbraw/zinc/81/13/41/357811341.db2.gz JTAYIUUERGNUGB-DOMZBBRYSA-N 1 0 320.393 1.996 20 5 DDBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1COCCN1C ZINC000599004990 357790768 /nfs/dbraw/zinc/79/07/68/357790768.db2.gz YATGMOHDEXZOOO-WDBUWWRISA-N 1 0 305.378 1.918 20 5 DDBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1COCCN1C ZINC000599004988 357790842 /nfs/dbraw/zinc/79/08/42/357790842.db2.gz YATGMOHDEXZOOO-RQPMMQJISA-N 1 0 305.378 1.918 20 5 DDBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)CC1(C)COC1 ZINC000599571635 357979138 /nfs/dbraw/zinc/97/91/38/357979138.db2.gz OKMJQLAWSBIYKR-NSHDSACASA-N 1 0 307.350 1.890 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N(C)CCOCC[NH3+] ZINC000599603800 357990136 /nfs/dbraw/zinc/99/01/36/357990136.db2.gz JAUVWDRIQQNGEY-UHFFFAOYSA-N 1 0 310.354 1.651 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1COCC[NH2+]1 ZINC000599604880 357990649 /nfs/dbraw/zinc/99/06/49/357990649.db2.gz UTBMQKQBFCNUFX-JTQLQIEISA-N 1 0 324.337 1.103 20 5 DDBDRO Cc1c(CNC(=O)N[C@H]2CC[C@H](C)[NH2+]C2)cccc1[N+](=O)[O-] ZINC000599918276 358080158 /nfs/dbraw/zinc/08/01/58/358080158.db2.gz NKCVPCNWAWSOBP-GWCFXTLKSA-N 1 0 306.366 1.843 20 5 DDBDRO [NH3+][C@H]1CC[C@@H]2CN(C(=O)CCNc3ccccc3[N+](=O)[O-])C[C@@H]12 ZINC000185199029 199822813 /nfs/dbraw/zinc/82/28/13/199822813.db2.gz JYABGXHQPBDKPN-UPJWGTAASA-N 1 0 318.377 1.593 20 5 DDBDRO C[N@@H+]1CCCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C1 ZINC000600835037 358329363 /nfs/dbraw/zinc/32/93/63/358329363.db2.gz HAMIOUGPZSRLNE-JTQLQIEISA-N 1 0 308.338 1.157 20 5 DDBDRO COC(=O)CN(C)C(=O)CC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000348090771 283363453 /nfs/dbraw/zinc/36/34/53/283363453.db2.gz YHOFYWXSOAVSNB-UHFFFAOYSA-N 1 0 323.349 1.048 20 5 DDBDRO CC[NH+]1CCN([C@H]2CCN(c3ncc(F)cc3[N+](=O)[O-])C2)CC1 ZINC000601112983 358406521 /nfs/dbraw/zinc/40/65/21/358406521.db2.gz JCDYLIQKKDOIAO-ZDUSSCGKSA-N 1 0 323.372 1.345 20 5 DDBDRO COc1ccc(CC(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000565581206 304077019 /nfs/dbraw/zinc/07/70/19/304077019.db2.gz YCPYOZVSIZQUGU-GXTWGEPZSA-N 1 0 319.361 1.308 20 5 DDBDRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000180931574 199228867 /nfs/dbraw/zinc/22/88/67/199228867.db2.gz DDQMAYLUHYSTNI-LLVKDONJSA-N 1 0 306.366 1.781 20 5 DDBDRO COc1cc(C(=O)N2CCC[C@@H]3C[NH2+]CC[C@@H]32)ccc1[N+](=O)[O-] ZINC000601558681 358600574 /nfs/dbraw/zinc/60/05/74/358600574.db2.gz ROHIIXWQKMQQQV-OLZOCXBDSA-N 1 0 319.361 1.818 20 5 DDBDRO CC(C)[N@H+](C)CC(=O)N[C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000601776273 358690547 /nfs/dbraw/zinc/69/05/47/358690547.db2.gz IGBIWJSGGJZNGJ-OAHLLOKOSA-N 1 0 309.366 1.259 20 5 DDBDRO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3C[C@@H]4COC[C@@H]4C3)o2)cc1 ZINC000601974903 358760962 /nfs/dbraw/zinc/76/09/62/358760962.db2.gz STUTTZCABTYDMW-TXEJJXNPSA-N 1 0 316.317 1.723 20 5 DDBDRO O=[N+]([O-])c1ccccc1/C=C\CN1CCC([NH2+]CCO)CC1 ZINC000602021546 358780396 /nfs/dbraw/zinc/78/03/96/358780396.db2.gz PLGNXTIMZXSIKY-HYXAFXHYSA-N 1 0 305.378 1.654 20 5 DDBDRO COCCOCC[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602522799 359024969 /nfs/dbraw/zinc/02/49/69/359024969.db2.gz XDEVVYSURDOTMK-UHFFFAOYSA-N 1 0 324.381 1.211 20 5 DDBDRO CC1(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)COC1 ZINC000602547001 359038406 /nfs/dbraw/zinc/03/84/06/359038406.db2.gz WBLVIUCXPWQGLL-UHFFFAOYSA-N 1 0 306.366 1.585 20 5 DDBDRO Cn1cc(CN2CCC[C@H]2C[NH+]2CCCCC2)c([N+](=O)[O-])n1 ZINC000602451093 358984828 /nfs/dbraw/zinc/98/48/28/358984828.db2.gz ZZUOKIKCRYWZMV-AWEZNQCLSA-N 1 0 307.398 1.779 20 5 DDBDRO C[NH2+]CCOCCNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000602562902 359046903 /nfs/dbraw/zinc/04/69/03/359046903.db2.gz HZQPRJNOQLHGOV-UHFFFAOYSA-N 1 0 301.730 1.214 20 5 DDBDRO CC[NH2+][C@@H](C)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000602457266 358990382 /nfs/dbraw/zinc/99/03/82/358990382.db2.gz DCAFFIFVDZJVHN-LBPRGKRZSA-N 1 0 321.377 1.963 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H](CO)CC3CC3)CC2)cn1 ZINC000602583016 359055837 /nfs/dbraw/zinc/05/58/37/359055837.db2.gz UPLCLGIMQGHMFE-AWEZNQCLSA-N 1 0 320.393 1.709 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CCN1CCN(CC(C)C)C(=O)[C@H]1C ZINC000602810488 359206939 /nfs/dbraw/zinc/20/69/39/359206939.db2.gz GBQJUFXWOICJGL-GFCCVEGCSA-N 1 0 323.397 1.288 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CCN1C[C@H](C)O[C@@](C)(C(F)F)C1 ZINC000602903944 359284495 /nfs/dbraw/zinc/28/44/95/359284495.db2.gz TXDYOPWNQBLLJV-TVQRCGJNSA-N 1 0 318.324 1.844 20 5 DDBDRO C[C@@H]1CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@H](CO)C1 ZINC000602931188 359300535 /nfs/dbraw/zinc/30/05/35/359300535.db2.gz MJZOEUBALIEKHX-SNPRPXQTSA-N 1 0 324.377 1.427 20 5 DDBDRO Cc1nccn1CC[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602963494 359326864 /nfs/dbraw/zinc/32/68/64/359326864.db2.gz WUIVJEHNDZJABR-OAHLLOKOSA-N 1 0 304.350 1.597 20 5 DDBDRO O=[N+]([O-])c1cc(F)ccc1Cn1cc(C[C@@H]2CCC[NH2+]C2)nn1 ZINC000603222707 359493643 /nfs/dbraw/zinc/49/36/43/359493643.db2.gz CAJXDPUWAMPPNS-NSHDSACASA-N 1 0 319.340 1.916 20 5 DDBDRO O=[N+]([O-])c1cc(F)c(Cn2cc(C3CC[NH2+]CC3)nn2)c(F)c1 ZINC000603246194 359511968 /nfs/dbraw/zinc/51/19/68/359511968.db2.gz ASLWMRMPJXWTCB-UHFFFAOYSA-N 1 0 323.303 1.980 20 5 DDBDRO Cc1nc(N2CCC([N@H+]3CCOC[C@@H]3C)CC2)ccc1[N+](=O)[O-] ZINC000603399454 359615323 /nfs/dbraw/zinc/61/53/23/359615323.db2.gz AUBCIEABPOBETG-LBPRGKRZSA-N 1 0 320.393 1.988 20 5 DDBDRO Cc1cc(N2CCC([N@H+]3CCOC[C@H]3C)CC2)ncc1[N+](=O)[O-] ZINC000603400378 359616636 /nfs/dbraw/zinc/61/66/36/359616636.db2.gz GZOMUBLASOXKNQ-CYBMUJFWSA-N 1 0 320.393 1.988 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H]2CSCC[NH2+]2)c1 ZINC000603418623 359628888 /nfs/dbraw/zinc/62/88/88/359628888.db2.gz HUSNZFNKHBXGGI-JTQLQIEISA-N 1 0 311.363 1.498 20 5 DDBDRO O=C1c2cccc([N+](=O)[O-])c2C(=O)N1CCC[NH+]1CCCC1 ZINC000188187756 200205978 /nfs/dbraw/zinc/20/59/78/200205978.db2.gz BUGFNJKFMAXQNR-UHFFFAOYSA-N 1 0 303.318 1.677 20 5 DDBDRO [NH3+]CC1CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)CC1 ZINC000238030737 202422461 /nfs/dbraw/zinc/42/24/61/202422461.db2.gz UGHVPVJOAMSLKF-UHFFFAOYSA-N 1 0 309.391 1.884 20 5 DDBDRO O=C(C1CC[NH2+]CC1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000238107993 202441132 /nfs/dbraw/zinc/44/11/32/202441132.db2.gz JBODTOVQLJLUPQ-LBPRGKRZSA-N 1 0 319.365 1.002 20 5 DDBDRO CC[N@@H+]1CC[C@@H](CNC(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)C1 ZINC000189212025 200364853 /nfs/dbraw/zinc/36/48/53/200364853.db2.gz OTPIPEORKNZCNY-LBPRGKRZSA-N 1 0 321.377 1.983 20 5 DDBDRO C[C@H](O)C[NH+]1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000189314713 200380373 /nfs/dbraw/zinc/38/03/73/200380373.db2.gz GOLAKHTUXRUGLA-NSHDSACASA-N 1 0 313.785 1.747 20 5 DDBDRO CCN(CCC[NH+](C)C)c1ncc(C(=O)OC)cc1[N+](=O)[O-] ZINC000189420798 200398932 /nfs/dbraw/zinc/39/89/32/200398932.db2.gz MLVKJAHPHVNZHO-UHFFFAOYSA-N 1 0 310.354 1.554 20 5 DDBDRO CCC[N@H+](CC)CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000610446799 360438211 /nfs/dbraw/zinc/43/82/11/360438211.db2.gz GNHGTMHZQSFTTF-UHFFFAOYSA-N 1 0 323.349 1.785 20 5 DDBDRO Cn1ccc(C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c1 ZINC000610488890 360450231 /nfs/dbraw/zinc/45/02/31/360450231.db2.gz QVJPWZKMCSGCSH-UHFFFAOYSA-N 1 0 303.318 1.994 20 5 DDBDRO O=C(Nc1ccncc1[N+](=O)[O-])N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000359028229 299310920 /nfs/dbraw/zinc/31/09/20/299310920.db2.gz PJPJJKMDNPUGDK-VXGBXAGGSA-N 1 0 305.338 1.160 20 5 DDBDRO COC(=O)[C@H]1CCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611255648 360680680 /nfs/dbraw/zinc/68/06/80/360680680.db2.gz XIYXXHDOTCYQHG-JTQLQIEISA-N 1 0 322.317 1.361 20 5 DDBDRO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CCC[C@@H](CCO)C1)OCCO2 ZINC000611268915 360683798 /nfs/dbraw/zinc/68/37/98/360683798.db2.gz FAIQNSNPZRQYAD-LBPRGKRZSA-N 1 0 322.361 1.960 20 5 DDBDRO CC[C@@H]1C[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@@H]1O ZINC000611287540 360689601 /nfs/dbraw/zinc/68/96/01/360689601.db2.gz HFCOGYMXJSLJBM-MFKMUULPSA-N 1 0 308.334 1.569 20 5 DDBDRO C[N@@H+]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000611223065 360667322 /nfs/dbraw/zinc/66/73/22/360667322.db2.gz QFCAMVJYTOTHEO-NSHDSACASA-N 1 0 314.345 1.967 20 5 DDBDRO CCOc1ccc([C@@H](C)[NH2+]CCc2nnnn2C)cc1[N+](=O)[O-] ZINC000611327864 360699726 /nfs/dbraw/zinc/69/97/26/360699726.db2.gz YCHZTOAMGZEALF-SNVBAGLBSA-N 1 0 320.353 1.410 20 5 DDBDRO COC[C@@H](C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2)OC ZINC000611585642 360768623 /nfs/dbraw/zinc/76/86/23/360768623.db2.gz XTLXFKIXCSYXNG-LLVKDONJSA-N 1 0 312.322 1.117 20 5 DDBDRO C[N@@H+](Cc1cn[nH]c1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000612108173 360921655 /nfs/dbraw/zinc/92/16/55/360921655.db2.gz QKZYCFKIEDMEAN-LBPRGKRZSA-N 1 0 306.322 1.190 20 5 DDBDRO CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000565890412 304101416 /nfs/dbraw/zinc/10/14/16/304101416.db2.gz QHXURCRXHOCHDD-UONOGXRCSA-N 1 0 307.350 1.478 20 5 DDBDRO C[C@H]1[NH2+]CCC[C@H]1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000193588515 201079957 /nfs/dbraw/zinc/07/99/57/201079957.db2.gz TWBUGTSGXWWGMR-PRHODGIISA-N 1 0 308.294 1.373 20 5 DDBDRO C[NH+](C)C[C@]1(O)CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000618924303 363804163 /nfs/dbraw/zinc/80/41/63/363804163.db2.gz WVRKLGDXGQPDSC-OAHLLOKOSA-N 1 0 307.350 1.124 20 5 DDBDRO Cc1c(C[NH2+]C[C@@H]2CNc3ccnn3C2)cccc1[N+](=O)[O-] ZINC000619265766 363952955 /nfs/dbraw/zinc/95/29/55/363952955.db2.gz WGROYPKKHFOCJM-GFCCVEGCSA-N 1 0 301.350 1.931 20 5 DDBDRO C[C@]1(C[NH3+])CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000566102046 304117302 /nfs/dbraw/zinc/11/73/02/304117302.db2.gz IOROJKFBOFQPCG-CQSZACIVSA-N 1 0 307.306 1.134 20 5 DDBDRO CO[C@H]1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)[C@@H](C[NH3+])C1 ZINC000359209174 299356312 /nfs/dbraw/zinc/35/63/12/299356312.db2.gz IJSZMNMYCBAZSC-CABCVRRESA-N 1 0 321.377 1.492 20 5 DDBDRO CCC[C@@H]1C[NH2+]CCN1C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000359218664 299360979 /nfs/dbraw/zinc/36/09/79/299360979.db2.gz OTKJTIRNNFBVBP-CYBMUJFWSA-N 1 0 320.393 1.632 20 5 DDBDRO COC(=O)[C@@H]1CCCCC[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000162721830 283986373 /nfs/dbraw/zinc/98/63/73/283986373.db2.gz SMVCVUANQVJMSE-OLZOCXBDSA-N 1 0 310.354 1.503 20 5 DDBDRO C[C@H](CC[NH3+])NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000349914441 284104255 /nfs/dbraw/zinc/10/42/55/284104255.db2.gz KFQYZEAANRCHER-MRVPVSSYSA-N 1 0 304.306 1.316 20 5 DDBDRO C[C@@H](NC(=O)[C@H]([NH3+])C1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000261899317 203147775 /nfs/dbraw/zinc/14/77/75/203147775.db2.gz WJRBMFGKOJNNGF-QMTHXVAHSA-N 1 0 307.350 1.526 20 5 DDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)C1(n2cccn2)CC[NH2+]CC1 ZINC000262004267 203171487 /nfs/dbraw/zinc/17/14/87/203171487.db2.gz UVLPAIWSNXXDGO-UHFFFAOYSA-N 1 0 315.333 1.509 20 5 DDBDRO [NH3+][C@H]1CCCN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000262280694 203248169 /nfs/dbraw/zinc/24/81/69/203248169.db2.gz XBDFAQBFOCCQFE-NSHDSACASA-N 1 0 315.333 1.344 20 5 DDBDRO CC(C)(CC[NH3+])NC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000579461488 422772401 /nfs/dbraw/zinc/77/24/01/422772401.db2.gz WWJWVCKPWDRGLV-UHFFFAOYSA-N 1 0 310.354 1.400 20 5 DDBDRO C[C@H]([NH2+]CC1(OCCO)CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000282456862 217009964 /nfs/dbraw/zinc/00/99/64/217009964.db2.gz FUCNCXSCTNNAEP-ZDUSSCGKSA-N 1 0 324.377 1.804 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000264595009 204016399 /nfs/dbraw/zinc/01/63/99/204016399.db2.gz AYWYXVQJSNDVTL-NSHDSACASA-N 1 0 319.361 1.818 20 5 DDBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cccc([N+](=O)[O-])c1N ZINC000288249804 220043250 /nfs/dbraw/zinc/04/32/50/220043250.db2.gz GASRUOKISFDXLR-NEPJUHHUSA-N 1 0 318.377 1.876 20 5 DDBDRO COc1cc(C[NH2+][C@@H](C)Cn2cccn2)c([N+](=O)[O-])cc1O ZINC000282679910 217171368 /nfs/dbraw/zinc/17/13/68/217171368.db2.gz SPLVMTKPBFMYFK-JTQLQIEISA-N 1 0 306.322 1.684 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000351479210 284332074 /nfs/dbraw/zinc/33/20/74/284332074.db2.gz QQARQOSUXSUHMY-AVGNSLFASA-N 1 0 318.377 1.511 20 5 DDBDRO Cc1nn(C)c(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1[N+](=O)[O-] ZINC000266408993 205325720 /nfs/dbraw/zinc/32/57/20/205325720.db2.gz ZFPQYZTZKJBFBI-YOGCLGLASA-N 1 0 321.381 1.382 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)CCC[NH3+] ZINC000336841048 249247120 /nfs/dbraw/zinc/24/71/20/249247120.db2.gz RDFVZMKKQXZVAL-JTQLQIEISA-N 1 0 301.368 1.309 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](C)CCCC[NH3+] ZINC000336849739 249255775 /nfs/dbraw/zinc/25/57/75/249255775.db2.gz TWYSSNRQEYYNFF-NSHDSACASA-N 1 0 315.395 1.699 20 5 DDBDRO C[NH+]1CCC(CCNC(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000102640056 193907238 /nfs/dbraw/zinc/90/72/38/193907238.db2.gz VPIWCFCDXXMJJE-UHFFFAOYSA-N 1 0 320.393 1.855 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)Nc2cccc(C[NH2+]C)c2)n1 ZINC000579581653 422794851 /nfs/dbraw/zinc/79/48/51/422794851.db2.gz QKGZKSXUIBAURV-UHFFFAOYSA-N 1 0 303.322 1.783 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](NC(=O)NC2CC2)C1 ZINC000273764917 211038736 /nfs/dbraw/zinc/03/87/36/211038736.db2.gz PSROXLNKMUHJPH-AWEZNQCLSA-N 1 0 318.377 1.939 20 5 DDBDRO CC[NH2+]Cc1cccc(NC(=O)c2c([N+](=O)[O-])cnn2C)c1 ZINC000567502494 304224547 /nfs/dbraw/zinc/22/45/47/304224547.db2.gz UWGDTVWUHACRKA-UHFFFAOYSA-N 1 0 303.322 1.690 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000063711008 184286592 /nfs/dbraw/zinc/28/65/92/184286592.db2.gz QSNWPMXPANBSSG-ZDUSSCGKSA-N 1 0 323.397 1.336 20 5 DDBDRO C[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1N)[C@H]1CCC[NH2+]C1 ZINC000269171094 207293412 /nfs/dbraw/zinc/29/34/12/207293412.db2.gz FMKCBZDZWLCABT-IUCAKERBSA-N 1 0 310.329 1.434 20 5 DDBDRO Cc1n[nH]c(C(=O)N2CCC([NH2+]CC3CC3)CC2)c1[N+](=O)[O-] ZINC000269189254 207309311 /nfs/dbraw/zinc/30/93/11/207309311.db2.gz GZOLZZLGUOXHQZ-UHFFFAOYSA-N 1 0 307.354 1.231 20 5 DDBDRO CC[C@@H](NC(=O)C[C@H]1C[NH2+]CCO1)c1cccc([N+](=O)[O-])c1 ZINC000269248343 207385045 /nfs/dbraw/zinc/38/50/45/207385045.db2.gz QZKVRLGGFXEOGG-UONOGXRCSA-N 1 0 307.350 1.541 20 5 DDBDRO C[NH+](C)CCCNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000352463223 285068254 /nfs/dbraw/zinc/06/82/54/285068254.db2.gz WKRURDJDSQBEBO-UHFFFAOYSA-N 1 0 321.786 1.478 20 5 DDBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)C1(C(N)=O)CCCC1 ZINC000120178157 195113275 /nfs/dbraw/zinc/11/32/75/195113275.db2.gz ZIKLIVQIAPNKFI-UHFFFAOYSA-N 1 0 307.350 1.704 20 5 DDBDRO [NH3+][C@H]1CCCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000158311537 197261729 /nfs/dbraw/zinc/26/17/29/197261729.db2.gz SLTAMQGVUCTJND-LBPRGKRZSA-N 1 0 306.366 1.737 20 5 DDBDRO O=[N+]([O-])c1cccc(F)c1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000287958331 285156532 /nfs/dbraw/zinc/15/65/32/285156532.db2.gz SQFARWVFROFDQQ-GFCCVEGCSA-N 1 0 309.341 1.892 20 5 DDBDRO C[C@@H](NC(=O)N1CCO[C@@H](C[NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC000417127828 533129385 /nfs/dbraw/zinc/12/93/85/533129385.db2.gz HAFBFVVFLLUPKP-MFKMUULPSA-N 1 0 308.338 1.025 20 5 DDBDRO CC(C)[C@@H]([NH3+])CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000157186068 197168369 /nfs/dbraw/zinc/16/83/69/197168369.db2.gz ZCRVBCCBGBECLW-AWEZNQCLSA-N 1 0 317.349 1.494 20 5 DDBDRO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[C@@H]1O ZINC000352657690 285201662 /nfs/dbraw/zinc/20/16/62/285201662.db2.gz BYTRMFTTXVUSFK-KGLIPLIRSA-N 1 0 307.350 1.769 20 5 DDBDRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000156410292 197111125 /nfs/dbraw/zinc/11/11/25/197111125.db2.gz HBILVGRNIPAJTR-RYUDHWBXSA-N 1 0 306.366 1.593 20 5 DDBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000120691067 195218414 /nfs/dbraw/zinc/21/84/14/195218414.db2.gz HMGIBVXCJZTOJJ-WFASDCNBSA-N 1 0 321.377 1.772 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@@H](O)Cn1ccnn1)CCC2 ZINC000414199935 224311420 /nfs/dbraw/zinc/31/14/20/224311420.db2.gz XBZXGUCBVKUGHF-HIFRSBDPSA-N 1 0 317.349 1.214 20 5 DDBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000289809732 221240822 /nfs/dbraw/zinc/24/08/22/221240822.db2.gz PIMIVFVGQKPQQH-NEPJUHHUSA-N 1 0 321.402 1.755 20 5 DDBDRO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000289925538 221321862 /nfs/dbraw/zinc/32/18/62/221321862.db2.gz KQRORCKXMZIGGW-RYUDHWBXSA-N 1 0 307.350 1.608 20 5 DDBDRO COCCCC[N@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000419385610 533251105 /nfs/dbraw/zinc/25/11/05/533251105.db2.gz LDANYKXTWWVLLS-UHFFFAOYSA-N 1 0 321.377 1.842 20 5 DDBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1c([N+](=O)[O-])cnn1C ZINC000330757549 533390030 /nfs/dbraw/zinc/39/00/30/533390030.db2.gz ZQHIFQZTFIZDQO-JTQLQIEISA-N 1 0 309.370 1.131 20 5 DDBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000569093084 304336003 /nfs/dbraw/zinc/33/60/03/304336003.db2.gz VRMCRYTZNQAUEN-AWEZNQCLSA-N 1 0 304.350 1.631 20 5 DDBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000579730210 422823709 /nfs/dbraw/zinc/82/37/09/422823709.db2.gz LWADTVMDQFOPTC-SNVBAGLBSA-N 1 0 309.370 1.422 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000286103529 292295023 /nfs/dbraw/zinc/29/50/23/292295023.db2.gz IMKWPJREWIEHLL-ABAIWWIYSA-N 1 0 307.350 1.276 20 5 DDBDRO Nc1c(C(=O)N[C@H]2C[C@@H]2C2CC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000361093618 299800581 /nfs/dbraw/zinc/80/05/81/299800581.db2.gz BJGHFZHXSUIZQY-NEPJUHHUSA-N 1 0 304.350 1.295 20 5 DDBDRO COc1cc(C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000361097899 299801343 /nfs/dbraw/zinc/80/13/43/299801343.db2.gz QTJQFQQDGWETBK-QWHCGFSZSA-N 1 0 319.361 1.721 20 5 DDBDRO CCCc1n[nH]c(C(=O)NC[C@@H]2CCC[N@@H+]2CC)c1[N+](=O)[O-] ZINC000069220831 406692627 /nfs/dbraw/zinc/69/26/27/406692627.db2.gz JPLWMAXQUJVQNB-JTQLQIEISA-N 1 0 309.370 1.485 20 5 DDBDRO C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)Cc1cccc([N+](=O)[O-])c1)C2 ZINC000073997594 406899273 /nfs/dbraw/zinc/89/92/73/406899273.db2.gz JGWXCWQPPJAIJI-DZGCQCFKSA-N 1 0 303.362 1.832 20 5 DDBDRO CC(C)[NH+]1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000074507602 406913868 /nfs/dbraw/zinc/91/38/68/406913868.db2.gz CARXQDGNUVMNNX-UHFFFAOYSA-N 1 0 307.350 1.526 20 5 DDBDRO CCOC(=O)c1ccnc(NCC[NH+](CC)CC)c1[N+](=O)[O-] ZINC000077902116 407014468 /nfs/dbraw/zinc/01/44/68/407014468.db2.gz UOJNRIQWINDPDG-UHFFFAOYSA-N 1 0 310.354 1.920 20 5 DDBDRO C[NH+]1CCN(CCCNC(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000044355473 407022415 /nfs/dbraw/zinc/02/24/15/407022415.db2.gz PRQNUENTEZRXSO-UHFFFAOYSA-N 1 0 312.395 1.024 20 5 DDBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[NH2+]CC1 ZINC000038081447 406999662 /nfs/dbraw/zinc/99/96/62/406999662.db2.gz GUCLZWDECDCUET-SECBINFHSA-N 1 0 313.741 1.447 20 5 DDBDRO CC[N@@H+]1CCC[C@H](NC(=O)NCc2ccccc2[N+](=O)[O-])C1 ZINC000052522634 407151600 /nfs/dbraw/zinc/15/16/00/407151600.db2.gz BPSBCYFCVHBNSC-ZDUSSCGKSA-N 1 0 306.366 1.878 20 5 DDBDRO CN(CC[NH+]1CCCC1)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000103119863 407331731 /nfs/dbraw/zinc/33/17/31/407331731.db2.gz JJPCFRRNRHRVOT-UHFFFAOYSA-N 1 0 307.350 1.528 20 5 DDBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@H]1CC12CC[NH2+]CC2 ZINC000112561235 407432710 /nfs/dbraw/zinc/43/27/10/407432710.db2.gz NQADRIBSDPNNJV-CQSZACIVSA-N 1 0 303.362 1.643 20 5 DDBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(N)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000127418420 407435945 /nfs/dbraw/zinc/43/59/45/407435945.db2.gz MGUPOCLOGORBCA-BXUZGUMPSA-N 1 0 320.393 1.979 20 5 DDBDRO C[C@H](CNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)[NH+](C)C ZINC000271032315 407479283 /nfs/dbraw/zinc/47/92/83/407479283.db2.gz PBMJOVJFKMSGGA-LLVKDONJSA-N 1 0 317.349 1.460 20 5 DDBDRO C[C@@H]1C[C@H](N(C)C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000127915313 407479716 /nfs/dbraw/zinc/47/97/16/407479716.db2.gz DMVIHVFDNNADGT-ZYHUDNBSSA-N 1 0 306.366 1.732 20 5 DDBDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000261673993 407575408 /nfs/dbraw/zinc/57/54/08/407575408.db2.gz BOAODVXVRBURFK-NEPJUHHUSA-N 1 0 306.366 1.227 20 5 DDBDRO CC(C)OC(=O)C[C@@H](NC(=O)[C@@H](C)[NH3+])c1ccccc1[N+](=O)[O-] ZINC000151857235 407513847 /nfs/dbraw/zinc/51/38/47/407513847.db2.gz BWAXXYVZYFQEFT-ZYHUDNBSSA-N 1 0 323.349 1.441 20 5 DDBDRO Cn1ccnc1[C@H]1C[NH2+]CCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000261740340 407597344 /nfs/dbraw/zinc/59/73/44/407597344.db2.gz KNXBLIRMPCRBPW-CQSZACIVSA-N 1 0 319.340 1.614 20 5 DDBDRO CC(C)CC[NH+]1CCC(CNC(=O)c2[nH]ncc2[N+](=O)[O-])CC1 ZINC000152329956 407609554 /nfs/dbraw/zinc/60/95/54/407609554.db2.gz IFUOQSATSWLQTJ-UHFFFAOYSA-N 1 0 323.397 1.806 20 5 DDBDRO O=C(CC[C@H]1CC[NH2+]C1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000261781613 407613803 /nfs/dbraw/zinc/61/38/03/407613803.db2.gz BHFHCNJJLUHSPD-LBPRGKRZSA-N 1 0 303.362 1.869 20 5 DDBDRO C[C@@H]([NH3+])C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CC1 ZINC000178820776 407613915 /nfs/dbraw/zinc/61/39/15/407613915.db2.gz UOCBMGJAABLNGZ-LLVKDONJSA-N 1 0 320.393 1.860 20 5 DDBDRO CCOc1ccc(C(=O)N2C[C@@H](C[NH3+])C[C@H]2C)cc1[N+](=O)[O-] ZINC000261804289 407623221 /nfs/dbraw/zinc/62/32/21/407623221.db2.gz MBEJFZZOEGIULO-GHMZBOCLSA-N 1 0 307.350 1.803 20 5 DDBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000171192861 407625011 /nfs/dbraw/zinc/62/50/11/407625011.db2.gz XNCUOZIHKRVUMO-CQSZACIVSA-N 1 0 306.366 1.531 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+](CCO)Cc2cccnc2)c1 ZINC000178867033 407633785 /nfs/dbraw/zinc/63/37/85/407633785.db2.gz ROLYUIYRMNQTIA-INIZCTEOSA-N 1 0 317.345 1.518 20 5 DDBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000261846265 407636878 /nfs/dbraw/zinc/63/68/78/407636878.db2.gz ZFQDQPMLGOXDSQ-STQMWFEESA-N 1 0 320.393 1.443 20 5 DDBDRO C[C@H]1OCC[C@]1(O)C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000227977239 407640749 /nfs/dbraw/zinc/64/07/49/407640749.db2.gz JYKBOZVLCMESBX-RNCFNFMXSA-N 1 0 300.742 1.878 20 5 DDBDRO Cc1c(NC(=O)[C@H](C)N2CC[C@](C)(C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000261737536 407594573 /nfs/dbraw/zinc/59/45/73/407594573.db2.gz OWNJBAIEDSUWDC-BLLLJJGKSA-N 1 0 320.393 1.901 20 5 DDBDRO Cc1ccc([C@@H](C)[NH2+]CCS(=O)(=O)N(C)C)cc1[N+](=O)[O-] ZINC000230994430 407695611 /nfs/dbraw/zinc/69/56/11/407695611.db2.gz ODNGLOCQQYVRDD-LLVKDONJSA-N 1 0 315.395 1.445 20 5 DDBDRO Cn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)n1 ZINC000271476574 407698119 /nfs/dbraw/zinc/69/81/19/407698119.db2.gz ZTGMMSPFOPWIQJ-LBPRGKRZSA-N 1 0 321.381 1.419 20 5 DDBDRO C[C@@H](O)C[C@@H]1CCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000152879420 407708895 /nfs/dbraw/zinc/70/88/95/407708895.db2.gz PTXFMOQIANTXKX-IPYPFGDCSA-N 1 0 324.377 1.570 20 5 DDBDRO Cn1c(C(=O)NCC[NH2+]C2CCCCCC2)ccc1[N+](=O)[O-] ZINC000262353566 407809750 /nfs/dbraw/zinc/80/97/50/407809750.db2.gz VNCSYSOEZBETPG-UHFFFAOYSA-N 1 0 308.382 1.976 20 5 DDBDRO Cc1n[nH]c(C(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000272242306 407830654 /nfs/dbraw/zinc/83/06/54/407830654.db2.gz XUHORKZOQHLCMZ-SNVBAGLBSA-N 1 0 309.370 1.429 20 5 DDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[C@@H]2CCC[NH2+]C2)s1 ZINC000237970376 407860545 /nfs/dbraw/zinc/86/05/45/407860545.db2.gz YOIRPAMQTQBQKC-VIFPVBQESA-N 1 0 319.408 1.324 20 5 DDBDRO CCOc1ccc(C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)cc1[N+](=O)[O-] ZINC000153659366 407870709 /nfs/dbraw/zinc/87/07/09/407870709.db2.gz YXVLOXBYELDIFB-QWRGUYRKSA-N 1 0 307.350 1.816 20 5 DDBDRO C[NH+](C)C[C@H]1CCCN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000268072125 407879082 /nfs/dbraw/zinc/87/90/82/407879082.db2.gz ATRFJVGVPSQLFN-GFCCVEGCSA-N 1 0 307.350 1.526 20 5 DDBDRO C[NH+](C)CCN(Cc1ccco1)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000153694184 407879623 /nfs/dbraw/zinc/87/96/23/407879623.db2.gz XMUNCGWSZBEQHW-UHFFFAOYSA-N 1 0 307.310 1.115 20 5 DDBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000268147748 407913335 /nfs/dbraw/zinc/91/33/35/407913335.db2.gz FKWCDIKLEIEZFC-LKFCYVNXSA-N 1 0 307.325 1.946 20 5 DDBDRO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@H]([C@H](C)O)C2)cccc1[N+](=O)[O-] ZINC000272499373 407949942 /nfs/dbraw/zinc/94/99/42/407949942.db2.gz DLLOUYOSBCQEPA-AVGNSLFASA-N 1 0 321.377 1.933 20 5 DDBDRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000262768046 407922739 /nfs/dbraw/zinc/92/27/39/407922739.db2.gz TVDXZADYHAEZKR-NOZJJQNGSA-N 1 0 317.349 1.813 20 5 DDBDRO CC(C)[N@H+](C)CC(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000135532077 408028007 /nfs/dbraw/zinc/02/80/07/408028007.db2.gz JASJCATXCOAPOF-LBPRGKRZSA-N 1 0 321.381 1.343 20 5 DDBDRO COC(=O)c1cc(NC(=O)C[N@H+](C)C(C)C)cc([N+](=O)[O-])c1 ZINC000136150392 408082676 /nfs/dbraw/zinc/08/26/76/408082676.db2.gz SBYKLVZMZVMNKY-UHFFFAOYSA-N 1 0 309.322 1.660 20 5 DDBDRO CCc1n[nH]c(C(=O)N2CC[C@H]([NH+](CC)CC)C2)c1[N+](=O)[O-] ZINC000175405472 408122338 /nfs/dbraw/zinc/12/23/38/408122338.db2.gz WWVZXTYJWQYNKW-JTQLQIEISA-N 1 0 309.370 1.437 20 5 DDBDRO O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc([N+](=O)[O-])o1 ZINC000136974885 408133057 /nfs/dbraw/zinc/13/30/57/408133057.db2.gz BURIMOZOEGZGDC-NSHDSACASA-N 1 0 323.349 1.419 20 5 DDBDRO C[NH+](C)[C@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000137054350 408137635 /nfs/dbraw/zinc/13/76/35/408137635.db2.gz LZBOFVNJAVNIEN-LLVKDONJSA-N 1 0 321.312 1.490 20 5 DDBDRO O=[N+]([O-])c1ccc(CN2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000175474433 408138529 /nfs/dbraw/zinc/13/85/29/408138529.db2.gz WBJLLIDIZTYNES-UHFFFAOYSA-N 1 0 305.378 1.891 20 5 DDBDRO [NH3+][C@H](CNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)C1CC1 ZINC000137353989 408153763 /nfs/dbraw/zinc/15/37/63/408153763.db2.gz NMAOZMYYXRDGIV-CYBMUJFWSA-N 1 0 315.333 1.248 20 5 DDBDRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)COc3ccc([N+](=O)[O-])c(F)c3)C[C@H]12 ZINC000273389811 408178871 /nfs/dbraw/zinc/17/88/71/408178871.db2.gz HRQQJXXIHNNSJL-XHVZSJERSA-N 1 0 323.324 1.308 20 5 DDBDRO CCOCCC[N@@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000273572937 408251865 /nfs/dbraw/zinc/25/18/65/408251865.db2.gz DMZVKHCBNHDWEH-JSGCOSHPSA-N 1 0 323.397 1.934 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H](C)N1CC[NH+](C)CC1 ZINC000263792970 408257732 /nfs/dbraw/zinc/25/77/32/408257732.db2.gz RAGBUNWVSYYYCP-ZDUSSCGKSA-N 1 0 320.393 1.269 20 5 DDBDRO CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1N)[C@@H]1CCC[N@H+](C)C1 ZINC000151119976 408259950 /nfs/dbraw/zinc/25/99/50/408259950.db2.gz SMVRCFPDQYRAEB-SNVBAGLBSA-N 1 0 310.329 1.482 20 5 DDBDRO CCOC(=O)C[C@H](C)[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000182625933 408208726 /nfs/dbraw/zinc/20/87/26/408208726.db2.gz QOBRXDPWTZDNBD-NSHDSACASA-N 1 0 311.338 1.030 20 5 DDBDRO COc1cc(C[NH2+]CCCn2ccnc2C)c([N+](=O)[O-])cc1O ZINC000263722399 408222788 /nfs/dbraw/zinc/22/27/88/408222788.db2.gz WMDVLVJKGXYVNM-UHFFFAOYSA-N 1 0 320.349 1.994 20 5 DDBDRO C[S@@](=O)C[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000183120395 408332187 /nfs/dbraw/zinc/33/21/87/408332187.db2.gz LNSJNKFHIIUWMU-WHEQGISXSA-N 1 0 322.390 1.501 20 5 DDBDRO CC(C)[NH2+]C1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000263905514 408309305 /nfs/dbraw/zinc/30/93/05/408309305.db2.gz GQXAUGZFLHXNDY-UHFFFAOYSA-N 1 0 307.354 1.056 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCCN(c3nccs3)CC2)n1 ZINC000176218172 408312932 /nfs/dbraw/zinc/31/29/32/408312932.db2.gz IBUJBKGYHSDPRR-UHFFFAOYSA-N 1 0 322.394 1.460 20 5 DDBDRO Cc1c(CN2CC[NH+](CC(C)(C)O)CC2)cccc1[N+](=O)[O-] ZINC000171149350 162206282 /nfs/dbraw/zinc/20/62/82/162206282.db2.gz FIUMIFRQYUQWPA-UHFFFAOYSA-N 1 0 307.394 1.792 20 5 DDBDRO COCCN(CC[NH+](C)C)C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000264097661 408365784 /nfs/dbraw/zinc/36/57/84/408365784.db2.gz AIYIHMCKEJHMQT-UHFFFAOYSA-N 1 0 313.329 1.384 20 5 DDBDRO Cn1cc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cn1 ZINC000173466629 162341834 /nfs/dbraw/zinc/34/18/34/162341834.db2.gz ARMXDQKYESMEPD-LBPRGKRZSA-N 1 0 302.338 1.410 20 5 DDBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000274543562 408445627 /nfs/dbraw/zinc/44/56/27/408445627.db2.gz UUUKGIOXRAHXEU-IINYFYTJSA-N 1 0 306.366 1.589 20 5 DDBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000274417842 408397734 /nfs/dbraw/zinc/39/77/34/408397734.db2.gz IFRIZGKRLSRQMH-LLVKDONJSA-N 1 0 306.366 1.591 20 5 DDBDRO C[C@@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2N)CC[N@@H+]1C ZINC000274660456 408485483 /nfs/dbraw/zinc/48/54/83/408485483.db2.gz YSMGRNGSUQXUFB-MNOVXSKESA-N 1 0 306.366 1.732 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000264474203 408505401 /nfs/dbraw/zinc/50/54/01/408505401.db2.gz GTOBKDXKWCYUQI-ZDUSSCGKSA-N 1 0 321.381 1.187 20 5 DDBDRO COCC[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000264477037 408506131 /nfs/dbraw/zinc/50/61/31/408506131.db2.gz HFHMAWUWEDMDIC-LBPRGKRZSA-N 1 0 323.349 1.054 20 5 DDBDRO C[C@@H]1C[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)C[N@@H+]1C1CC1 ZINC000177131067 408528004 /nfs/dbraw/zinc/52/80/04/408528004.db2.gz IPPDAVNWHXXDAH-YPMHNXCESA-N 1 0 303.362 1.879 20 5 DDBDRO C[NH+](C)C[C@](C)(O)CNc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000269925609 408470523 /nfs/dbraw/zinc/47/05/23/408470523.db2.gz ZGFVEOIDMONXPY-CYBMUJFWSA-N 1 0 319.308 1.921 20 5 DDBDRO CC1(O)CC[NH+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000177307756 408577784 /nfs/dbraw/zinc/57/77/84/408577784.db2.gz VGUPJKNKWZFGLK-CYBMUJFWSA-N 1 0 310.350 1.181 20 5 DDBDRO Cc1nn(C)c(C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000161403773 408600511 /nfs/dbraw/zinc/60/05/11/408600511.db2.gz MIJYZYZAUUQHTQ-GXSJLCMTSA-N 1 0 309.370 1.095 20 5 DDBDRO CC[N@@H+]1CCCN(C(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000264622037 408543315 /nfs/dbraw/zinc/54/33/15/408543315.db2.gz LKXWOEHDEDPEFO-UHFFFAOYSA-N 1 0 307.350 1.528 20 5 DDBDRO CCc1n[nH]c(C(=O)N2[C@@H]3CC[C@H]2C[N@H+](CC)CC3)c1[N+](=O)[O-] ZINC000192688227 408632523 /nfs/dbraw/zinc/63/25/23/408632523.db2.gz VINLCSHBZIEAMB-MNOVXSKESA-N 1 0 321.381 1.579 20 5 DDBDRO C[C@@H]1C[N@@H+](C2CCN(c3cc(N)ccc3[N+](=O)[O-])CC2)CCO1 ZINC000192782701 408646006 /nfs/dbraw/zinc/64/60/06/408646006.db2.gz LIAJAQUQUVLQKS-GFCCVEGCSA-N 1 0 320.393 1.867 20 5 DDBDRO CN(Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H]1CCN(C)C1=O ZINC000265651520 408731500 /nfs/dbraw/zinc/73/15/00/408731500.db2.gz OKQRURNCSHXISC-CYBMUJFWSA-N 1 0 321.333 1.124 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C)[C@@H]1CCOC1 ZINC000162799298 408736469 /nfs/dbraw/zinc/73/64/69/408736469.db2.gz ZIPOCKJQFDIFHY-GHMZBOCLSA-N 1 0 323.349 1.557 20 5 DDBDRO C[NH+](C)C1(CNC(=O)COc2ccccc2[N+](=O)[O-])CCC1 ZINC000275833425 408691293 /nfs/dbraw/zinc/69/12/93/408691293.db2.gz GHLXOBIIPGRZKM-UHFFFAOYSA-N 1 0 307.350 1.574 20 5 DDBDRO Nc1nc(N2CCC[N@@H+](C3CCCC3)CC2)ncc1[N+](=O)[O-] ZINC000265553913 408693611 /nfs/dbraw/zinc/69/36/11/408693611.db2.gz HPEKSBWOCKCLMA-UHFFFAOYSA-N 1 0 306.370 1.422 20 5 DDBDRO CC(C)(C)[C@@H](CO)[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000193108670 408694556 /nfs/dbraw/zinc/69/45/56/408694556.db2.gz NZABAPLGGFYZIP-CQSZACIVSA-N 1 0 321.377 1.481 20 5 DDBDRO CCc1n[nH]c(C(=O)N(C)[C@@H]2CC[N@@H+](CC)C[C@H]2C)c1[N+](=O)[O-] ZINC000249142193 408700221 /nfs/dbraw/zinc/70/02/21/408700221.db2.gz QZVOVBDFJQJIKV-ZYHUDNBSSA-N 1 0 323.397 1.683 20 5 DDBDRO C[NH+](C)C1(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)CCC1 ZINC000275867117 408701223 /nfs/dbraw/zinc/70/12/23/408701223.db2.gz JMTWQHMISFJUPO-UHFFFAOYSA-N 1 0 310.329 1.530 20 5 DDBDRO CC[C@@H]1C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1O ZINC000270840121 408702683 /nfs/dbraw/zinc/70/26/83/408702683.db2.gz DXEKGTVXRFHTLQ-ZLDLUXBVSA-N 1 0 310.350 1.037 20 5 DDBDRO COc1ccc(OCC[N@H+](C)C[C@H]2CCOC2)c([N+](=O)[O-])c1 ZINC000178347978 408809685 /nfs/dbraw/zinc/80/96/85/408809685.db2.gz BIDBDBXQIXEQFI-GFCCVEGCSA-N 1 0 310.350 1.951 20 5 DDBDRO CC[C@H](C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[NH+](C)C ZINC000177966409 408748561 /nfs/dbraw/zinc/74/85/61/408748561.db2.gz MWBRPMNURYBQBT-OAHLLOKOSA-N 1 0 320.393 1.584 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000163081896 408759617 /nfs/dbraw/zinc/75/96/17/408759617.db2.gz ZZURGYUHBOKZDX-NWDGAFQWSA-N 1 0 307.350 1.856 20 5 DDBDRO COC[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000265756985 408772385 /nfs/dbraw/zinc/77/23/85/408772385.db2.gz GITOOJMKOJQUNZ-RYUDHWBXSA-N 1 0 307.350 1.890 20 5 DDBDRO COC[C@@H](O)C[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000290821850 408838899 /nfs/dbraw/zinc/83/88/99/408838899.db2.gz HCWSYBDLUJNDBJ-VIFPVBQESA-N 1 0 309.149 1.999 20 5 DDBDRO C[C@H]1C[C@@H](N2CCOCC2)C[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000286174127 408936652 /nfs/dbraw/zinc/93/66/52/408936652.db2.gz WXNUBHGNSABBKV-WMLDXEAASA-N 1 0 319.405 1.932 20 5 DDBDRO C[C@@H]1COCC[C@@H]1[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000277439630 408941523 /nfs/dbraw/zinc/94/15/23/408941523.db2.gz LFDRRGDPNRBGAF-RISCZKNCSA-N 1 0 307.350 1.572 20 5 DDBDRO C[C@H]1C[C@@H](N2CCOCC2)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000286223742 408945151 /nfs/dbraw/zinc/94/51/51/408945151.db2.gz YVIGNNKPZVQCDH-XJKSGUPXSA-N 1 0 305.378 1.890 20 5 DDBDRO Cc1ccc(C[NH2+]CC2(N3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000277488281 408950198 /nfs/dbraw/zinc/95/01/98/408950198.db2.gz NNZIRWXFQKPFCA-UHFFFAOYSA-N 1 0 305.378 1.858 20 5 DDBDRO CCOCC[C@@H](O)C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000277506164 408953469 /nfs/dbraw/zinc/95/34/69/408953469.db2.gz MVLROMHFJXVJME-MRXNPFEDSA-N 1 0 323.393 1.504 20 5 DDBDRO C[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1(CO)CCC1 ZINC000292098068 408979671 /nfs/dbraw/zinc/97/96/71/408979671.db2.gz HPRNTFJOPZGDSY-UHFFFAOYSA-N 1 0 319.361 1.331 20 5 DDBDRO C[C@@H](O)C[N@@H+]1CCN(c2ccc([N+](=O)[O-])c3nonc32)[C@H](C)C1 ZINC000277791492 409012703 /nfs/dbraw/zinc/01/27/03/409012703.db2.gz NJIXGLTXAXHXQR-NXEZZACHSA-N 1 0 321.337 1.022 20 5 DDBDRO C[N@@H+]1CC[C@@]2(CCN(c3ccc([N+](=O)[O-])c4nonc43)C2)C1 ZINC000292329193 409025647 /nfs/dbraw/zinc/02/56/47/409025647.db2.gz PHPBHUSLAXTPQP-CQSZACIVSA-N 1 0 303.322 1.663 20 5 DDBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000282306718 409030920 /nfs/dbraw/zinc/03/09/20/409030920.db2.gz SAIDQWKQPAFTBW-CQSZACIVSA-N 1 0 320.393 1.847 20 5 DDBDRO COC[C@H](O)C[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000283195937 409109511 /nfs/dbraw/zinc/10/95/11/409109511.db2.gz LANASAZDDMFUGR-CFVMTHIKSA-N 1 0 308.378 1.903 20 5 DDBDRO O=C(C[NH2+][C@H]1CCC[C@@H]1CCO)Nc1ccccc1[N+](=O)[O-] ZINC000279262728 409180427 /nfs/dbraw/zinc/18/04/27/409180427.db2.gz MLRCYSRFSASAGU-NEPJUHHUSA-N 1 0 307.350 1.674 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000289234298 409236228 /nfs/dbraw/zinc/23/62/28/409236228.db2.gz MGABSNSXJYLNJT-INIZCTEOSA-N 1 0 319.361 1.576 20 5 DDBDRO C[NH+](C)C[C@@H]1CCCN1C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000284188743 409293389 /nfs/dbraw/zinc/29/33/89/409293389.db2.gz YSSYKDXPXGDRTK-VIFPVBQESA-N 1 0 310.329 1.482 20 5 DDBDRO C[NH+](C)CCn1nccc1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000294249843 409266569 /nfs/dbraw/zinc/26/65/69/409266569.db2.gz XYHLUAGEERLAEI-UHFFFAOYSA-N 1 0 317.349 1.534 20 5 DDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H](C)[NH+](C)C ZINC000290265081 409341031 /nfs/dbraw/zinc/34/10/31/409341031.db2.gz OQHVKTFJIHKSKA-JTQLQIEISA-N 1 0 322.365 1.162 20 5 DDBDRO O=[N+]([O-])c1c(NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)nc2sccn21 ZINC000316905083 164024570 /nfs/dbraw/zinc/02/45/70/164024570.db2.gz XYHZFJRXEWLBRM-ZJUUUORDSA-N 1 0 323.378 1.579 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCC2CC[NH+](C)CC2)n1 ZINC000319106692 164035354 /nfs/dbraw/zinc/03/53/54/164035354.db2.gz GBRGKEZKJRLJIX-UHFFFAOYSA-N 1 0 308.338 1.530 20 5 DDBDRO COCC(=O)N1CCC([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000319938476 164039560 /nfs/dbraw/zinc/03/95/60/164039560.db2.gz SCCBGCJAVMNJAF-LBPRGKRZSA-N 1 0 321.377 1.883 20 5 DDBDRO CN(C)CC[N@H+](C)CCCN(C)C(=O)c1ccccc1[N+](=O)[O-] ZINC000290682248 409485566 /nfs/dbraw/zinc/48/55/66/409485566.db2.gz QPGNKRGOFMJGHQ-UHFFFAOYSA-N 1 0 322.409 1.550 20 5 DDBDRO C[N@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)CC(C)(C)O ZINC000304237606 409581803 /nfs/dbraw/zinc/58/18/03/409581803.db2.gz QOBSBPLWXBPQDL-UHFFFAOYSA-N 1 0 323.349 1.596 20 5 DDBDRO C[N@@H+](Cc1ccc(F)cc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000304290952 409596891 /nfs/dbraw/zinc/59/68/91/409596891.db2.gz GNVBVCABYHPNED-CQSZACIVSA-N 1 0 308.313 1.423 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CCC(n3cncn3)CC2)c1 ZINC000305166962 409708450 /nfs/dbraw/zinc/70/84/50/409708450.db2.gz IAKPPQLGSHUSSV-OAHLLOKOSA-N 1 0 317.349 1.557 20 5 DDBDRO O=C(NCC1CC[NH2+]CC1)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000296881303 409683273 /nfs/dbraw/zinc/68/32/73/409683273.db2.gz FOHHWNKUBICEFF-UHFFFAOYSA-N 1 0 321.362 1.329 20 5 DDBDRO CCOc1ccc(NC(=O)CN2CCC[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000346068911 409753269 /nfs/dbraw/zinc/75/32/69/409753269.db2.gz JLHWQNVSIOIYAJ-NSHDSACASA-N 1 0 322.365 1.355 20 5 DDBDRO COCC[N@@H+]1CC[C@@H](Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000297169129 409837196 /nfs/dbraw/zinc/83/71/96/409837196.db2.gz PKYXVPFMHMMACH-SNVBAGLBSA-N 1 0 305.338 1.604 20 5 DDBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000354371979 409802105 /nfs/dbraw/zinc/80/21/05/409802105.db2.gz LCBIOUGEKGJWLR-NSHDSACASA-N 1 0 306.366 1.639 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NCCCCC[NH+]1CCCC1 ZINC000357107094 409878971 /nfs/dbraw/zinc/87/89/71/409878971.db2.gz BOYQDYSUAILKRP-UHFFFAOYSA-N 1 0 309.370 1.324 20 5 DDBDRO C[NH+](C)CCN(Cc1ccccn1)c1ncc([N+](=O)[O-])cn1 ZINC000354566234 409943826 /nfs/dbraw/zinc/94/38/26/409943826.db2.gz LMQLUHACUZTAPA-UHFFFAOYSA-N 1 0 302.338 1.348 20 5 DDBDRO CC1(C)NC(=O)CC[C@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000338599581 410030399 /nfs/dbraw/zinc/03/03/99/410030399.db2.gz WBLQEOPUKRGTNF-GFCCVEGCSA-N 1 0 317.349 1.618 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CCCC[C@@H]2C[NH+](C)C)n1 ZINC000191802077 306724420 /nfs/dbraw/zinc/72/44/20/306724420.db2.gz IKYCWYJQFIJFTM-LLVKDONJSA-N 1 0 309.370 1.368 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H](CO)C1 ZINC000298085333 410105306 /nfs/dbraw/zinc/10/53/06/410105306.db2.gz HDSOPHLPDZHQMR-CYBMUJFWSA-N 1 0 321.377 1.936 20 5 DDBDRO C[N@@H+]1CC[C@@](O)(CNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000346729355 410116828 /nfs/dbraw/zinc/11/68/28/410116828.db2.gz OGJSTBVDCUNGMH-MRXNPFEDSA-N 1 0 321.377 1.055 20 5 DDBDRO O=C(COc1cccc([N+](=O)[O-])c1)NC1CC[NH+](C2CC2)CC1 ZINC000298286425 410164133 /nfs/dbraw/zinc/16/41/33/410164133.db2.gz DDZWGXJMIFFPAN-UHFFFAOYSA-N 1 0 319.361 1.717 20 5 DDBDRO O=C(COc1cccc([N+](=O)[O-])c1)NCC[NH+]1CCCCCC1 ZINC000298355964 410191840 /nfs/dbraw/zinc/19/18/40/410191840.db2.gz OQKZIGNXLSUDJQ-UHFFFAOYSA-N 1 0 321.377 1.966 20 5 DDBDRO COc1c(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000332671546 410203510 /nfs/dbraw/zinc/20/35/10/410203510.db2.gz ZQYJLPVWNKONAF-NWDGAFQWSA-N 1 0 319.361 1.912 20 5 DDBDRO CN(C(=O)COc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000347011820 410312426 /nfs/dbraw/zinc/31/24/26/410312426.db2.gz MNMPLZRQMTYPPW-CQSZACIVSA-N 1 0 319.361 1.669 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@](C)(O)CC[NH+](C)C ZINC000352122895 410496494 /nfs/dbraw/zinc/49/64/94/410496494.db2.gz UJMNWMCVDAXGAM-HNNXBMFYSA-N 1 0 309.366 1.336 20 5 DDBDRO Nc1ccc(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000299109238 410526665 /nfs/dbraw/zinc/52/66/65/410526665.db2.gz WHOKHPUMAZIVRA-OLZOCXBDSA-N 1 0 304.350 1.534 20 5 DDBDRO COCC[NH+]1CCC(Nc2ccc([N+](=O)[O-])c3nonc32)CC1 ZINC000299237377 410577702 /nfs/dbraw/zinc/57/77/02/410577702.db2.gz KPCGNQDZMPBOKO-UHFFFAOYSA-N 1 0 321.337 1.654 20 5 DDBDRO Cc1nn(C)c(C(=O)NCC2CCC(C[NH3+])CC2)c1[N+](=O)[O-] ZINC000343628649 410583944 /nfs/dbraw/zinc/58/39/44/410583944.db2.gz RWLCWYVTLGHXSC-UHFFFAOYSA-N 1 0 309.370 1.132 20 5 DDBDRO COC[C@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000352228520 410561079 /nfs/dbraw/zinc/56/10/79/410561079.db2.gz ZYXFCXVOVABRBI-LBPRGKRZSA-N 1 0 307.350 1.892 20 5 DDBDRO C[C@H](C[NH+](C)C)NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000355641485 410620863 /nfs/dbraw/zinc/62/08/63/410620863.db2.gz OWXWVXHOZJPDBO-SECBINFHSA-N 1 0 320.353 1.220 20 5 DDBDRO C[NH+](C)CCNc1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000301057680 410647416 /nfs/dbraw/zinc/64/74/16/410647416.db2.gz MKZCHAJVWYMAGK-UHFFFAOYSA-N 1 0 322.365 1.041 20 5 DDBDRO C[C@@H]1C[C@@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000352952636 410699644 /nfs/dbraw/zinc/69/96/44/410699644.db2.gz VXJVMUKNUPRGIM-MNOVXSKESA-N 1 0 313.379 1.356 20 5 DDBDRO C[C@@H](CNc1c(F)cc([N+](=O)[O-])cc1F)N1CC[NH+](C)CC1 ZINC000301766699 410789448 /nfs/dbraw/zinc/78/94/48/410789448.db2.gz DFSWRJHYJKBRLJ-JTQLQIEISA-N 1 0 314.336 1.921 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[N@@H+](C)CC1(C)C ZINC000330574539 410792428 /nfs/dbraw/zinc/79/24/28/410792428.db2.gz POFNBKCZVTVQNH-UHFFFAOYSA-N 1 0 320.393 1.868 20 5 DDBDRO CO[C@H]1C[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1OC ZINC000337471102 410812396 /nfs/dbraw/zinc/81/23/96/410812396.db2.gz PMXJPOIFQHZNMA-KBPBESRZSA-N 1 0 323.349 1.269 20 5 DDBDRO COC(=O)c1cnc(NC[C@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC000302747397 410857370 /nfs/dbraw/zinc/85/73/70/410857370.db2.gz GAVZRNVOLWPSLG-SNVBAGLBSA-N 1 0 308.338 1.530 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2C[C@@H]3CC[C@H](O)[C@H]3C2)c1 ZINC000343995408 410876245 /nfs/dbraw/zinc/87/62/45/410876245.db2.gz QISFDSGASFYJDQ-YOENINGUSA-N 1 0 322.361 1.037 20 5 DDBDRO CC(C)(C)[C@@H](O)C[C@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000341282600 410981574 /nfs/dbraw/zinc/98/15/74/410981574.db2.gz XCOJGKRFUKKKQF-RISCZKNCSA-N 1 0 314.357 1.982 20 5 DDBDRO CC(C)(C)[C@@H](O)C[C@@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000341282598 410982768 /nfs/dbraw/zinc/98/27/68/410982768.db2.gz XCOJGKRFUKKKQF-FZMZJTMJSA-N 1 0 314.357 1.982 20 5 DDBDRO COc1cccc(C(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])c1[N+](=O)[O-] ZINC000580063570 422882756 /nfs/dbraw/zinc/88/27/56/422882756.db2.gz ODQDZGJOLWMZCI-CMPLNLGQSA-N 1 0 307.350 1.945 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CC[C@H]2CCOC2)c1 ZINC000580769795 422952376 /nfs/dbraw/zinc/95/23/76/422952376.db2.gz IQMNXPPXPBXXQM-JSGCOSHPSA-N 1 0 310.350 1.351 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000132332478 196246209 /nfs/dbraw/zinc/24/62/09/196246209.db2.gz GGUKFWDCEHVOKT-MNOVXSKESA-N 1 0 313.379 1.261 20 5 DDBDRO CNc1nccc(C(=O)N(C)C2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000516978719 416766735 /nfs/dbraw/zinc/76/67/35/416766735.db2.gz IKKPEAXGTTZZFZ-UHFFFAOYSA-N 1 0 307.354 1.198 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000417190311 225238143 /nfs/dbraw/zinc/23/81/43/225238143.db2.gz YAQSSQBZRNSYTM-GWCFXTLKSA-N 1 0 322.365 1.401 20 5 DDBDRO C[NH+](C)[C@@H](CNc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CC1 ZINC000359495699 418413323 /nfs/dbraw/zinc/41/33/23/418413323.db2.gz LECIJNKMZSMRQE-ZDUSSCGKSA-N 1 0 317.349 2.397 20 5 DDBDRO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000366199894 418443183 /nfs/dbraw/zinc/44/31/83/418443183.db2.gz XFPFSTZVZUGDHS-HNNXBMFYSA-N 1 0 319.361 1.578 20 5 DDBDRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000290970449 222037586 /nfs/dbraw/zinc/03/75/86/222037586.db2.gz SXFBKXSPSVGPIY-GFCCVEGCSA-N 1 0 309.366 1.819 20 5 DDBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1cncc(F)c1 ZINC000361120161 418588028 /nfs/dbraw/zinc/58/80/28/418588028.db2.gz PZKNHZRVNCSEPJ-JTQLQIEISA-N 1 0 306.297 1.641 20 5 DDBDRO O=C(CNc1ccccc1[N+](=O)[O-])N1CCC2(C1)CC[NH2+]CC2 ZINC000367358591 418591831 /nfs/dbraw/zinc/59/18/31/418591831.db2.gz MIVUPVGWNFUPAT-UHFFFAOYSA-N 1 0 318.377 1.609 20 5 DDBDRO NC(=O)[C@@H]1CN(Cc2csc([N+](=O)[O-])c2)C[C@H]1C(F)(F)F ZINC000375384669 418631968 /nfs/dbraw/zinc/63/19/68/418631968.db2.gz QANRHXINMSXMCU-HTQZYQBOSA-N 1 0 323.296 1.752 20 5 DDBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000408106102 418788821 /nfs/dbraw/zinc/78/88/21/418788821.db2.gz XBISAYXQOTZOKR-VHSXEESVSA-N 1 0 317.349 1.772 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@@]2(CCCCO2)C1 ZINC000364620491 418794807 /nfs/dbraw/zinc/79/48/07/418794807.db2.gz TVUPZUQCDXLGGN-INIZCTEOSA-N 1 0 321.377 1.792 20 5 DDBDRO C[C@H]1CC[NH2+][C@H](C(=O)NCCNc2ccccc2[N+](=O)[O-])C1 ZINC000422938767 227271614 /nfs/dbraw/zinc/27/16/14/227271614.db2.gz PYQDCQZTLZMJCR-AAEUAGOBSA-N 1 0 306.366 1.511 20 5 DDBDRO Cc1cn2c(n1)CC[C@H](NC(=O)c1ccccc1[N+](=O)[O-])C2 ZINC000364745627 418806803 /nfs/dbraw/zinc/80/68/03/418806803.db2.gz ZFIGBSYMLCKTMD-NSHDSACASA-N 1 0 300.318 1.845 20 5 DDBDRO Cc1cc(NC[C@H]2CCC[C@H]2[NH+]2CCOCC2)ncc1[N+](=O)[O-] ZINC000364885457 418821953 /nfs/dbraw/zinc/82/19/53/418821953.db2.gz CZKVHJPVTYOSEG-ZIAGYGMSSA-N 1 0 320.393 2.211 20 5 DDBDRO C[NH+]1CCC(Oc2ccc(NC(=O)[C@@H]3CC3[N+](=O)[O-])cn2)CC1 ZINC000372212491 418845557 /nfs/dbraw/zinc/84/55/57/418845557.db2.gz ZREJWWHQHYLMBE-CHWSQXEVSA-N 1 0 320.349 1.158 20 5 DDBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000372869321 418910228 /nfs/dbraw/zinc/91/02/28/418910228.db2.gz JSDNADVHCXRRJJ-STQMWFEESA-N 1 0 319.361 1.574 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000424075489 228225021 /nfs/dbraw/zinc/22/50/21/228225021.db2.gz PHKCZGKDTBOMTL-GVXVVHGQSA-N 1 0 323.397 1.322 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H]1CCN(C)C(=O)C1 ZINC000424194390 228244611 /nfs/dbraw/zinc/24/46/11/228244611.db2.gz WKEIBTWLVRABCR-LBPRGKRZSA-N 1 0 321.377 1.952 20 5 DDBDRO Cc1ccc([C@@H](C)NC(=O)NC[C@@H]2C[NH2+]CCO2)cc1[N+](=O)[O-] ZINC000417822250 419342802 /nfs/dbraw/zinc/34/28/02/419342802.db2.gz FJFLUCYWYMXEQC-YPMHNXCESA-N 1 0 322.365 1.252 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1Cc1nc(C2([NH3+])CCCCC2)no1 ZINC000424343046 228259207 /nfs/dbraw/zinc/25/92/07/228259207.db2.gz JACIICJBOIUNAL-UHFFFAOYSA-N 1 0 306.326 1.649 20 5 DDBDRO Cc1ccc([C@@H](C)NC(=O)N2CC[NH2+][C@@H](C)C2)cc1[N+](=O)[O-] ZINC000417859246 419356877 /nfs/dbraw/zinc/35/68/77/419356877.db2.gz VWZLUAYZPUEGOR-NWDGAFQWSA-N 1 0 306.366 1.968 20 5 DDBDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000417934705 419397618 /nfs/dbraw/zinc/39/76/18/419397618.db2.gz FWJKHLNLULMJSY-YPMHNXCESA-N 1 0 306.366 1.516 20 5 DDBDRO CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CCNC1=O ZINC000411692355 419381648 /nfs/dbraw/zinc/38/16/48/419381648.db2.gz JZVUSVAGNACHDM-CYBMUJFWSA-N 1 0 320.349 1.134 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@H](C)C[C@H](O)C1 ZINC000412044204 419586262 /nfs/dbraw/zinc/58/62/62/419586262.db2.gz WIVAFEZXICPFTG-RISCZKNCSA-N 1 0 321.377 1.935 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CCC[N@H+](C)[C@@H]1C ZINC000427058710 419589513 /nfs/dbraw/zinc/58/95/13/419589513.db2.gz FIPLTUINBOLBGI-MFKMUULPSA-N 1 0 307.350 1.816 20 5 DDBDRO Cc1ccc(S(=O)(=O)N[C@H](C)CCCC[NH3+])c([N+](=O)[O-])c1 ZINC000427949386 419775498 /nfs/dbraw/zinc/77/54/98/419775498.db2.gz JQXSVIILOGLVAR-LLVKDONJSA-N 1 0 315.395 1.699 20 5 DDBDRO COCC[NH2+]CCNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000418505978 419841971 /nfs/dbraw/zinc/84/19/71/419841971.db2.gz GVYYBNBGBJZYNN-UHFFFAOYSA-N 1 0 324.381 1.365 20 5 DDBDRO C[NH2+]CCN(C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000414952860 419890521 /nfs/dbraw/zinc/89/05/21/419890521.db2.gz RDHNOPHRXDCWDZ-UHFFFAOYSA-N 1 0 318.280 1.879 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000299263971 229015804 /nfs/dbraw/zinc/01/58/04/229015804.db2.gz WMZWNTVRDGMPQO-NSHDSACASA-N 1 0 308.338 1.819 20 5 DDBDRO C[C@@]12CC[N@H+](CCn3cc([N+](=O)[O-])ccc3=O)C[C@@H]1C2(F)F ZINC000428736053 419922862 /nfs/dbraw/zinc/92/28/62/419922862.db2.gz RQGYYOFJHXSQDJ-WCQYABFASA-N 1 0 313.304 1.734 20 5 DDBDRO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000435244260 229365901 /nfs/dbraw/zinc/36/59/01/229365901.db2.gz CKYAVMRFGJEGPK-LLVKDONJSA-N 1 0 315.333 1.438 20 5 DDBDRO C[C@H]([NH3+])CCN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000423226034 419991847 /nfs/dbraw/zinc/99/18/47/419991847.db2.gz PEPLURTWIDSFRH-SMDDNHRTSA-N 1 0 303.366 1.745 20 5 DDBDRO CCOc1ccc(C(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)cc1[N+](=O)[O-] ZINC000429175651 419982552 /nfs/dbraw/zinc/98/25/52/419982552.db2.gz KFQUHWROROVYDW-ZYHUDNBSSA-N 1 0 307.350 1.803 20 5 DDBDRO COc1cccc(C(=O)NC[C@@]2(C)CCC[NH2+]C2)c1[N+](=O)[O-] ZINC000423517567 420069734 /nfs/dbraw/zinc/06/97/34/420069734.db2.gz HWIXIPBAXPNKCX-HNNXBMFYSA-N 1 0 307.350 1.723 20 5 DDBDRO C[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000429881829 420056095 /nfs/dbraw/zinc/05/60/95/420056095.db2.gz DMRUDBQORPFEMZ-LBPRGKRZSA-N 1 0 305.378 1.940 20 5 DDBDRO COc1ccc(NC(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000415431066 420063922 /nfs/dbraw/zinc/06/39/22/420063922.db2.gz DJMKPGMSTZXPPG-GXSJLCMTSA-N 1 0 308.338 1.723 20 5 DDBDRO Cc1c(NC(=O)C(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000415448695 420070407 /nfs/dbraw/zinc/07/04/07/420070407.db2.gz JHNSCNSDEYXGEG-GXSJLCMTSA-N 1 0 320.349 1.037 20 5 DDBDRO COc1cc(C(=O)N[C@H]2CCC[NH2+][C@H]2C)cc([N+](=O)[O-])c1C ZINC000423616316 420099751 /nfs/dbraw/zinc/09/97/51/420099751.db2.gz RWAZAQUNEMVERQ-JQWIXIFHSA-N 1 0 307.350 1.782 20 5 DDBDRO COC(=O)c1cc(C(=O)N[C@@H](C)CCCC[NH3+])cc([N+](=O)[O-])c1 ZINC000423648382 420113990 /nfs/dbraw/zinc/11/39/90/420113990.db2.gz DNZQYQXAHDUPDG-JTQLQIEISA-N 1 0 323.349 1.629 20 5 DDBDRO COc1cccc(C(=O)N[C@H]2C[NH2+]CCC2(F)F)c1[N+](=O)[O-] ZINC000423694726 420129041 /nfs/dbraw/zinc/12/90/41/420129041.db2.gz HZODNWXJAPAZSP-JTQLQIEISA-N 1 0 315.276 1.330 20 5 DDBDRO COc1cccc(C(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000423692356 420129697 /nfs/dbraw/zinc/12/96/97/420129697.db2.gz GAKDJAPTKQXCRH-WDEREUQCSA-N 1 0 307.350 1.851 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000415653916 420137806 /nfs/dbraw/zinc/13/78/06/420137806.db2.gz IVSPZWVQYNABEW-SNVBAGLBSA-N 1 0 308.338 1.819 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NC[C@H]([NH3+])C(C)C ZINC000415470653 420079356 /nfs/dbraw/zinc/07/93/56/420079356.db2.gz ZEAUOABUQQQDMY-NSHDSACASA-N 1 0 322.365 1.250 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000423584592 420088125 /nfs/dbraw/zinc/08/81/25/420088125.db2.gz OLZMJASXCZDBOL-LLVKDONJSA-N 1 0 307.350 1.865 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000415501509 420091904 /nfs/dbraw/zinc/09/19/04/420091904.db2.gz MRGAKJWGACCWOZ-VHSXEESVSA-N 1 0 308.338 1.865 20 5 DDBDRO C[C@@H]1CN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC[C@@H]1[NH3+] ZINC000430919995 420205123 /nfs/dbraw/zinc/20/51/23/420205123.db2.gz SRWMEWTUQRQIRG-MFKMUULPSA-N 1 0 317.349 1.814 20 5 DDBDRO CCOc1ccc(NC(=O)CN2CC[NH2+][C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000420332148 420216983 /nfs/dbraw/zinc/21/69/83/420216983.db2.gz GEDFZGSBZMBEAO-NSHDSACASA-N 1 0 322.365 1.226 20 5 DDBDRO CN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1(C[NH3+])CCC1 ZINC000420325101 420210707 /nfs/dbraw/zinc/21/07/07/420210707.db2.gz IAVIUVKRNWRKJV-UHFFFAOYSA-N 1 0 306.366 1.737 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000420328777 420212067 /nfs/dbraw/zinc/21/20/67/420212067.db2.gz FRXCGPSOKZZVKF-DGCLKSJQSA-N 1 0 320.393 1.901 20 5 DDBDRO COc1cc(CN2CC[C@@H]([NH3+])C2)c([N+](=O)[O-])cc1OC(F)F ZINC000430612395 420157592 /nfs/dbraw/zinc/15/75/92/420157592.db2.gz RDFHCOOUCHDYGV-SECBINFHSA-N 1 0 317.292 1.738 20 5 DDBDRO CC1(C)CCC[NH2+][C@H]1CNc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000420238807 420164173 /nfs/dbraw/zinc/16/41/73/420164173.db2.gz HVQQMKIDPFPGFI-JTQLQIEISA-N 1 0 304.354 1.828 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)C1CC[NH2+]CC1 ZINC000430634414 420165415 /nfs/dbraw/zinc/16/54/15/420165415.db2.gz RSEQLXIUDJLFSP-UHFFFAOYSA-N 1 0 306.366 1.526 20 5 DDBDRO CCOC(=O)c1ccnc(N2CC[C@H](C)C[C@@H]2C[NH3+])c1[N+](=O)[O-] ZINC000420254602 420169926 /nfs/dbraw/zinc/16/99/26/420169926.db2.gz DOTCKYKSYMAQNU-WDEREUQCSA-N 1 0 322.365 1.730 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[NH2+]CC1 ZINC000430955126 420221350 /nfs/dbraw/zinc/22/13/50/420221350.db2.gz HVVIAFHKKXGZBX-UHFFFAOYSA-N 1 0 322.365 1.227 20 5 DDBDRO C[NH2+]CCN(C)[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000420339790 420221373 /nfs/dbraw/zinc/22/13/73/420221373.db2.gz QIWCLTKZQOYFMZ-JTQLQIEISA-N 1 0 310.354 1.082 20 5 DDBDRO COc1ccc(NC(=O)CN2C[C@H](C)[NH2+]C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000420402463 420264504 /nfs/dbraw/zinc/26/45/04/420264504.db2.gz QKNVOXGGZFCPMM-QWRGUYRKSA-N 1 0 322.365 1.224 20 5 DDBDRO [NH3+]C[C@H](NC(=O)COc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000423944545 420278218 /nfs/dbraw/zinc/27/82/18/420278218.db2.gz SIMWIJCNQUTWEQ-AWEZNQCLSA-N 1 0 307.350 1.607 20 5 DDBDRO C[NH2+]CCCN(C)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000420469263 420305293 /nfs/dbraw/zinc/30/52/93/420305293.db2.gz IUUAKWKVDGOHHO-UHFFFAOYSA-N 1 0 321.786 1.478 20 5 DDBDRO C[C@@H]1C[C@@H](C)N(C(=O)CCn2cc([N+](=O)[O-])cn2)C[C@@H]1C[NH3+] ZINC000424070277 420309570 /nfs/dbraw/zinc/30/95/70/420309570.db2.gz JSEBPXKJNJQEMZ-UTUOFQBUSA-N 1 0 309.370 1.013 20 5 DDBDRO C[C@H]1[NH2+]CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@@H]1C ZINC000436051732 420304757 /nfs/dbraw/zinc/30/47/57/420304757.db2.gz BHPWCIOIMSPPOU-VXGBXAGGSA-N 1 0 318.377 1.166 20 5 DDBDRO Cc1cc(OCC(=O)NCC[NH2+]C(C)(C)C)ccc1[N+](=O)[O-] ZINC000437574979 420412455 /nfs/dbraw/zinc/41/24/55/420412455.db2.gz CJCLVVZTOPOOLY-UHFFFAOYSA-N 1 0 309.366 1.786 20 5 DDBDRO Cc1ccc(S(=O)(=O)N2C[C@H](C[NH3+])C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000447252173 230350688 /nfs/dbraw/zinc/35/06/88/230350688.db2.gz ZYWHTZATHYFXPK-QWRGUYRKSA-N 1 0 313.379 1.261 20 5 DDBDRO CC(C)(C(=O)N1CCC[C@@H](CC[NH3+])C1)n1cc([N+](=O)[O-])cn1 ZINC000442606934 420689599 /nfs/dbraw/zinc/68/95/99/420689599.db2.gz QMJRLQQEOAPMCS-NSHDSACASA-N 1 0 309.370 1.114 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1CCC[C@@]1(C)CO ZINC000492894863 420702304 /nfs/dbraw/zinc/70/23/04/420702304.db2.gz SKBKKRBTIIOARZ-ZBFHGGJFSA-N 1 0 321.377 1.982 20 5 DDBDRO CC(C)NC(=O)CC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447533066 420778424 /nfs/dbraw/zinc/77/84/24/420778424.db2.gz YROGHPWPXAVRPH-OLZOCXBDSA-N 1 0 323.397 1.779 20 5 DDBDRO O=C(/C=C\c1ccc(F)cc1[N+](=O)[O-])NCC1=CC[NH2+]CC1 ZINC000493258941 420801275 /nfs/dbraw/zinc/80/12/75/420801275.db2.gz NEKYVOOGQYBUSV-RQOWECAXSA-N 1 0 305.309 1.783 20 5 DDBDRO C[NH2+]C[C@@H]1CCN(C(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000493700177 420918788 /nfs/dbraw/zinc/91/87/88/420918788.db2.gz ZYOKKYMBYSJQBL-TZNOJPMFSA-N 1 0 307.325 1.815 20 5 DDBDRO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3C[C@H](O)[C@@H](CO)C3)o2)c1 ZINC000459694206 420849254 /nfs/dbraw/zinc/84/92/54/420849254.db2.gz GDAOKEYKYPTNSD-DOMZBBRYSA-N 1 0 318.329 1.640 20 5 DDBDRO Cn1nccc1[C@H](CO)[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000459758234 420866887 /nfs/dbraw/zinc/86/68/87/420866887.db2.gz OWVUJOHNGWNTPW-ZDUSSCGKSA-N 1 0 306.322 1.030 20 5 DDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCN1CCCOCC1 ZINC000449323682 420990739 /nfs/dbraw/zinc/99/07/39/420990739.db2.gz ALVIRODZYZCOTO-AWEZNQCLSA-N 1 0 307.394 1.838 20 5 DDBDRO CC(C)(C[NH+]1CCCC1)NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000455036545 420961176 /nfs/dbraw/zinc/96/11/76/420961176.db2.gz QQMIYYGTFJFYBX-UHFFFAOYSA-N 1 0 307.354 1.408 20 5 DDBDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000493751130 420932949 /nfs/dbraw/zinc/93/29/49/420932949.db2.gz IRJPGJSTLMPMPI-VRJVPJCWSA-N 1 0 307.325 1.943 20 5 DDBDRO C[C@@H](NC(=O)NCCOCC[NH+](C)C)c1ccccc1[N+](=O)[O-] ZINC000471641771 420937764 /nfs/dbraw/zinc/93/77/64/420937764.db2.gz GHQVYRJEDFCMPI-GFCCVEGCSA-N 1 0 324.381 1.533 20 5 DDBDRO CC1(C)C[NH2+]CC[C@H]1NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000449697427 421061424 /nfs/dbraw/zinc/06/14/24/421061424.db2.gz KWXHVWAKRHXNIT-GFCCVEGCSA-N 1 0 317.349 1.589 20 5 DDBDRO C[C@H]([NH3+])[C@H](C)NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000449583033 421032195 /nfs/dbraw/zinc/03/21/95/421032195.db2.gz ADWMTSORKQMELB-UWVGGRQHSA-N 1 0 303.322 1.246 20 5 DDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@H](C)[NH3+])cc1OC ZINC000449589597 421033795 /nfs/dbraw/zinc/03/37/95/421033795.db2.gz JZYWARKBRSTYMB-DTWKUNHWSA-N 1 0 311.338 1.468 20 5 DDBDRO [NH3+][C@H]1CCC[C@H](CNC(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000449637621 421041808 /nfs/dbraw/zinc/04/18/08/421041808.db2.gz HBFIWPNVWPZGMJ-RYUDHWBXSA-N 1 0 307.350 1.607 20 5 DDBDRO C[C@@]1(O)CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C1 ZINC000450037129 421133182 /nfs/dbraw/zinc/13/31/82/421133182.db2.gz CWWVZBBBBGOCQW-OAHLLOKOSA-N 1 0 316.317 1.377 20 5 DDBDRO C[C@@H]1[C@H](CO)CC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000488799334 421118402 /nfs/dbraw/zinc/11/84/02/421118402.db2.gz KJQKZVIWGSCKEF-YPMHNXCESA-N 1 0 319.361 1.187 20 5 DDBDRO [NH3+]CC[C@H](NC(=O)COc1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000449714249 421066517 /nfs/dbraw/zinc/06/65/17/421066517.db2.gz BTSFGIXWSGVHBR-JTQLQIEISA-N 1 0 321.255 1.370 20 5 DDBDRO [NH3+]CC[C@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)C(F)(F)F ZINC000449724017 421068743 /nfs/dbraw/zinc/06/87/43/421068743.db2.gz GFRYFGZWLVLEPI-VIFPVBQESA-N 1 0 307.228 1.310 20 5 DDBDRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000456342926 421146182 /nfs/dbraw/zinc/14/61/82/421146182.db2.gz GFBRLGPRYXDJKX-GFCCVEGCSA-N 1 0 309.370 1.042 20 5 DDBDRO CCOCCN1CCN(c2ncc([N+](=O)[O-])c(C)n2)C[C@H]1C ZINC000450311680 421180517 /nfs/dbraw/zinc/18/05/17/421180517.db2.gz IXYXKWABQIHZCK-LLVKDONJSA-N 1 0 309.370 1.240 20 5 DDBDRO Cc1nc(N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000450539287 421207493 /nfs/dbraw/zinc/20/74/93/421207493.db2.gz JMAMGXCROZNZDX-NQBHXWOUSA-N 1 0 305.382 1.860 20 5 DDBDRO C[C@H]1C[C@@H](C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC[NH2+]1 ZINC000562743411 421409937 /nfs/dbraw/zinc/40/99/37/421409937.db2.gz VEZPKAWQRLHNDA-KBPBESRZSA-N 1 0 319.409 1.500 20 5 DDBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1ccnc(NC)c1[N+](=O)[O-] ZINC000563396122 421501887 /nfs/dbraw/zinc/50/18/87/421501887.db2.gz VCABHULQHQWGSK-NSHDSACASA-N 1 0 323.397 1.882 20 5 DDBDRO CNc1nccc(C(=O)N2CCCC[C@@H]2C[NH+](C)C)c1[N+](=O)[O-] ZINC000565182577 421596337 /nfs/dbraw/zinc/59/63/37/421596337.db2.gz SNGHGAIJLNFLPN-LLVKDONJSA-N 1 0 321.381 1.588 20 5 DDBDRO COc1ccc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1F ZINC000571245187 421699642 /nfs/dbraw/zinc/69/96/42/421699642.db2.gz UZZNKUHMXLLSHS-LBPRGKRZSA-N 1 0 324.312 1.090 20 5 DDBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1cccc(O)c1 ZINC000536377848 421717687 /nfs/dbraw/zinc/71/76/87/421717687.db2.gz GYLFPDNENQKKSL-UHFFFAOYSA-N 1 0 303.318 1.594 20 5 DDBDRO CC[C@H]1CN(C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000556806916 421739856 /nfs/dbraw/zinc/73/98/56/421739856.db2.gz MFFPTKUTXOTPBR-NSHDSACASA-N 1 0 307.350 1.770 20 5 DDBDRO CCC[NH+](CCC)CCCNC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000571818188 421747117 /nfs/dbraw/zinc/74/71/17/421747117.db2.gz OLENITKLZUOXEI-UHFFFAOYSA-N 1 0 323.397 1.814 20 5 DDBDRO O=C(c1c[nH]nc1[N+](=O)[O-])N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000558758940 421824967 /nfs/dbraw/zinc/82/49/67/421824967.db2.gz LKSUZUBZEYDHEF-LLVKDONJSA-N 1 0 307.354 1.408 20 5 DDBDRO CC[N@@H+]1CCC[C@H](CNC(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])C1 ZINC000542652055 421826358 /nfs/dbraw/zinc/82/63/58/421826358.db2.gz UXGAFUVQZIOMTL-LLVKDONJSA-N 1 0 323.397 1.903 20 5 DDBDRO NC(=O)[C@@H](Cc1ccc(F)cc1)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000544095371 421843097 /nfs/dbraw/zinc/84/30/97/421843097.db2.gz RBLSKHXUJBOOTG-OAHLLOKOSA-N 1 0 317.320 1.920 20 5 DDBDRO Cc1ccc(C)c(S(=O)(=O)N[C@H](C)C[C@H](C)[NH3+])c1[N+](=O)[O-] ZINC000582002828 422086623 /nfs/dbraw/zinc/08/66/23/422086623.db2.gz HNQTXEPPQRPPPT-WDEREUQCSA-N 1 0 315.395 1.616 20 5 DDBDRO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000592201828 422330130 /nfs/dbraw/zinc/33/01/30/422330130.db2.gz WDTKQPMHNPKIDS-IJLUTSLNSA-N 1 0 308.334 1.512 20 5 DDBDRO C[NH+](C)[C@@H](CNc1ccc(N)c([N+](=O)[O-])n1)c1ccc(F)cc1 ZINC000590574176 422320833 /nfs/dbraw/zinc/32/08/33/422320833.db2.gz CZGBUAZHZSNEBL-ZDUSSCGKSA-N 1 0 319.340 2.426 20 5 DDBDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000597860961 422391909 /nfs/dbraw/zinc/39/19/09/422391909.db2.gz QJOFBPKBEAYUJV-SECBINFHSA-N 1 0 307.354 1.175 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)n1 ZINC000578231668 422529222 /nfs/dbraw/zinc/52/92/22/422529222.db2.gz YJHFYDWWQIWXTB-DCAQKATOSA-N 1 0 307.354 1.011 20 5 DDBDRO C[N@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C(C)(C)C ZINC000578503620 422582996 /nfs/dbraw/zinc/58/29/96/422582996.db2.gz BMOCHXFNLRIPFF-UHFFFAOYSA-N 1 0 309.322 1.992 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N(CC[NH3+])Cc1ccccc1 ZINC000184201116 263386389 /nfs/dbraw/zinc/38/63/89/263386389.db2.gz SDQCLBJBLMGIOU-UHFFFAOYSA-N 1 0 317.349 1.087 20 5 DDBDRO COC(=O)c1cc(C)nc(N[C@@H]2CC[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000341847523 271221420 /nfs/dbraw/zinc/22/14/20/271221420.db2.gz XYORYLQZPCGIJR-SNVBAGLBSA-N 1 0 320.349 1.733 20 5 DDBDRO COc1ccc(C[NH2+][C@@H](C2CC2)[C@@H]2CNCCO2)cc1[N+](=O)[O-] ZINC000422936393 533688352 /nfs/dbraw/zinc/68/83/52/533688352.db2.gz BNIXBNRPQNYNGA-HOTGVXAUSA-N 1 0 321.377 1.460 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]([NH3+])CC(F)F ZINC000345727793 272315951 /nfs/dbraw/zinc/31/59/51/272315951.db2.gz VCIRZIYQNIFATB-SECBINFHSA-N 1 0 303.265 1.202 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](CC[NH3+])C(F)F ZINC000414647851 274118877 /nfs/dbraw/zinc/11/88/77/274118877.db2.gz AHUUAYJZBKJRQB-MRVPVSSYSA-N 1 0 318.280 1.707 20 5 DDBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1C[C@@H](C)[C@H]([NH+](C)C)C1 ZINC000270690562 274203611 /nfs/dbraw/zinc/20/36/11/274203611.db2.gz XJOKRZZZHSESIB-TYNCELHUSA-N 1 0 320.393 1.804 20 5 DDBDRO CC[C@H](C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)[NH+](C)C ZINC000125263129 276541809 /nfs/dbraw/zinc/54/18/09/276541809.db2.gz FNHHSCWJWNPDRP-WCQYABFASA-N 1 0 321.381 1.343 20 5 DDBDRO COC[C@@](C)([NH3+])CNc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000413144905 277581811 /nfs/dbraw/zinc/58/18/11/277581811.db2.gz QQCYNLNFSMEMCK-JTQLQIEISA-N 1 0 308.260 1.784 20 5 DDBDRO C[C@@]1(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)CCC[NH2+]C1 ZINC000237617300 279156206 /nfs/dbraw/zinc/15/62/06/279156206.db2.gz PGSFKWFBSFQAID-CQSZACIVSA-N 1 0 303.322 1.799 20 5 DDBDRO C[C@H](CCNC(=O)Cn1cc([N+](=O)[O-])cn1)[NH+]1CCCCC1 ZINC000183107385 279265394 /nfs/dbraw/zinc/26/53/94/279265394.db2.gz HMZSTJRCVWLBEA-GFCCVEGCSA-N 1 0 309.370 1.172 20 5 DDBDRO CC[NH2+]CC1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000161067935 279497232 /nfs/dbraw/zinc/49/72/32/279497232.db2.gz SKVQJTUVJOJORO-UHFFFAOYSA-N 1 0 309.370 1.030 20 5 DDBDRO O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000289622469 280207503 /nfs/dbraw/zinc/20/75/03/280207503.db2.gz GVQJDWWIJVNONS-UWVGGRQHSA-N 1 0 309.753 1.930 20 5 DDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@@H](O)C(F)(F)F)n1 ZINC000447529596 280377401 /nfs/dbraw/zinc/37/74/01/280377401.db2.gz MDGYKSZSNPVGNU-IVZWLZJFSA-N 1 0 322.287 1.788 20 5 DDBDRO C[NH+]1CCC(NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC000122250061 281153321 /nfs/dbraw/zinc/15/33/21/281153321.db2.gz UCERINMYVIPANQ-UHFFFAOYSA-N 1 0 318.377 1.757 20 5 DDBDRO C[NH+](C)C1CN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000270846519 289072436 /nfs/dbraw/zinc/07/24/36/289072436.db2.gz OODAVUYEXDQICV-UHFFFAOYSA-N 1 0 317.267 2.000 20 5 DDBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2c2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000290732642 290244385 /nfs/dbraw/zinc/24/43/85/290244385.db2.gz GCQVBDUUNXUHKH-PWSUYJOCSA-N 1 0 319.365 1.009 20 5 DDBDRO C[N@@H+]1CC[C@@](O)(CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000358062406 299061625 /nfs/dbraw/zinc/06/16/25/299061625.db2.gz HTVXAXXVGZNKIE-CYBMUJFWSA-N 1 0 313.741 1.045 20 5 DDBDRO C[C@H]1CC[NH2+]C[C@H]1NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000193410582 300004180 /nfs/dbraw/zinc/00/41/80/300004180.db2.gz NUQIRBHVJBTTJA-WCBMZHEXSA-N 1 0 317.342 1.010 20 5 DDBDRO COc1ccc(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000362588268 300102851 /nfs/dbraw/zinc/10/28/51/300102851.db2.gz KHXCRGXFWCFQNU-JQWIXIFHSA-N 1 0 307.350 1.417 20 5 DDBDRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000362931670 300181451 /nfs/dbraw/zinc/18/14/51/300181451.db2.gz RWJLHNYEROKIGY-IAQYHMDHSA-N 1 0 303.362 1.677 20 5 DDBDRO Cc1c(C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cccc1[N+](=O)[O-] ZINC000363689697 300296170 /nfs/dbraw/zinc/29/61/70/300296170.db2.gz GWNPRVCFQTYLCF-OLZOCXBDSA-N 1 0 319.361 1.496 20 5 DDBDRO O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000363699845 300298114 /nfs/dbraw/zinc/29/81/14/300298114.db2.gz IZHDTXBHLAMCFQ-LBPRGKRZSA-N 1 0 305.334 1.611 20 5 DDBDRO CC(C)[NH+]1CCN([C@@H]2CCN(c3ncccc3[N+](=O)[O-])C2)CC1 ZINC000363918746 300325767 /nfs/dbraw/zinc/32/57/67/300325767.db2.gz HVXWGKUBNDKUSV-CQSZACIVSA-N 1 0 319.409 1.595 20 5 DDBDRO [NH3+]C[C@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CCO1 ZINC000364195306 300355899 /nfs/dbraw/zinc/35/58/99/300355899.db2.gz MHLRIGAABODLLW-NSHDSACASA-N 1 0 321.358 1.609 20 5 DDBDRO COc1ccc(C[NH2+][C@H]2CCC(=O)N[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC000367062028 300794962 /nfs/dbraw/zinc/79/49/62/300794962.db2.gz JESCTCWKCPULCO-BLLLJJGKSA-N 1 0 319.361 1.750 20 5 DDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000367648919 300867875 /nfs/dbraw/zinc/86/78/75/300867875.db2.gz NTVCAGZCJJTACO-JTQLQIEISA-N 1 0 304.350 1.534 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3F)C[C@H]21 ZINC000368596850 301061933 /nfs/dbraw/zinc/06/19/33/301061933.db2.gz WFOKGLZMQIUMCF-QMTHXVAHSA-N 1 0 307.325 1.900 20 5 DDBDRO Cc1cn2c(n1)CC[C@H](NC(=O)c1c(N)cccc1[N+](=O)[O-])C2 ZINC000368603914 301062653 /nfs/dbraw/zinc/06/26/53/301062653.db2.gz SKMWXHMAXAACRA-JTQLQIEISA-N 1 0 315.333 1.427 20 5 DDBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])cnc3N)CC[C@@H]21 ZINC000369981749 301251282 /nfs/dbraw/zinc/25/12/82/301251282.db2.gz CYMBKKKSLFGHQJ-MFKMUULPSA-N 1 0 319.365 1.128 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2C[C@H]3CCCCCC[C@H]32)c1 ZINC000375852253 302004987 /nfs/dbraw/zinc/00/49/87/302004987.db2.gz WLCXRYGDGQNBPW-BPLDGKMQSA-N 1 0 308.382 1.807 20 5 DDBDRO O=[N+]([O-])c1ccc(CN2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1 ZINC000376496368 302085195 /nfs/dbraw/zinc/08/51/95/302085195.db2.gz WPVOEOTUALOYHW-JKSUJKDBSA-N 1 0 305.378 1.626 20 5 DDBDRO CC[NH+]1C[C@H](C)N(C(=O)c2cccc([N+](=O)[O-])c2N)[C@@H](C)C1 ZINC000515310699 302771677 /nfs/dbraw/zinc/77/16/77/302771677.db2.gz YJCRQJQQVAEOII-QWRGUYRKSA-N 1 0 306.366 1.732 20 5 DDBDRO CSc1ccc(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000518676232 302828848 /nfs/dbraw/zinc/82/88/48/302828848.db2.gz PPXJZBNXYZOXQB-CYBMUJFWSA-N 1 0 322.390 1.664 20 5 DDBDRO CNc1ccc(C(=O)N2CCCC[C@H]2[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000519774078 302853874 /nfs/dbraw/zinc/85/38/74/302853874.db2.gz LZZFJMVXSARUJA-GWCFXTLKSA-N 1 0 306.366 1.978 20 5 DDBDRO Cn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)n1 ZINC000271451545 302943158 /nfs/dbraw/zinc/94/31/58/302943158.db2.gz VUBNUROXAZJKGF-LBPRGKRZSA-N 1 0 321.381 1.419 20 5 DDBDRO CC(C)[NH+]1CCC(N(C)C(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000532397828 303284959 /nfs/dbraw/zinc/28/49/59/303284959.db2.gz ZDXBWQAPALQCDB-UHFFFAOYSA-N 1 0 306.366 1.935 20 5 DDBDRO [NH3+]CC[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000070149362 303385843 /nfs/dbraw/zinc/38/58/43/303385843.db2.gz GXDUYTWXMUHXIX-NSHDSACASA-N 1 0 313.379 1.487 20 5 DDBDRO COc1ccc(CC(=O)N2CC[C@@H](C[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000543028543 303453219 /nfs/dbraw/zinc/45/32/19/303453219.db2.gz XCADHEIQTHIEPX-ZDUSSCGKSA-N 1 0 321.377 1.556 20 5 DDBDRO C[C@@H](C(=O)NCCNc1ccc([N+](=O)[O-])cc1)[NH+]1CC(C)C1 ZINC000563369820 303946117 /nfs/dbraw/zinc/94/61/17/303946117.db2.gz QOHOROZCIUIEPZ-LBPRGKRZSA-N 1 0 306.366 1.463 20 5 DDBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000364800931 307051500 /nfs/dbraw/zinc/05/15/00/307051500.db2.gz VAQDHQJEYFUBOG-TZMCWYRMSA-N 1 0 318.377 1.607 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@H]2C(=O)NC(=O)[C@H]2C1 ZINC000366304611 307070412 /nfs/dbraw/zinc/07/04/12/307070412.db2.gz ANBYSSWQTDZQJO-SUHUHFCYSA-N 1 0 317.345 1.559 20 5 DDBDRO COC(=O)[C@]1(C)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000366630832 307077885 /nfs/dbraw/zinc/07/78/85/307077885.db2.gz HLNCXLJEUMTGJN-OAHLLOKOSA-N 1 0 308.334 1.988 20 5 DDBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)CNc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000368614987 307106489 /nfs/dbraw/zinc/10/64/89/307106489.db2.gz SOIZADIBGDVTTP-YNEHKIRRSA-N 1 0 318.377 1.593 20 5 DDBDRO COC(=O)[C@]12C[N@H+](Cc3cccc([N+](=O)[O-])c3)C[C@H]1COCC2 ZINC000369542153 307123046 /nfs/dbraw/zinc/12/30/46/307123046.db2.gz RRWUGKMGWBOVGW-XJKSGUPXSA-N 1 0 320.345 1.606 20 5 DDBDRO CCc1n[nH]c(C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000370886710 307139078 /nfs/dbraw/zinc/13/90/78/307139078.db2.gz QKRPFBLTDWWPQJ-JTQLQIEISA-N 1 0 307.354 1.191 20 5 DDBDRO C[C@@H]1CC[C@@H](O)C[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000421021023 307300496 /nfs/dbraw/zinc/30/04/96/307300496.db2.gz NVWXYBAYCGTULF-VXGBXAGGSA-N 1 0 307.350 1.769 20 5 DDBDRO [NH3+][C@@H]1CCCC[C@H]1NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000424337921 307301443 /nfs/dbraw/zinc/30/14/43/307301443.db2.gz SUAIKENCVBEDHL-ZIAGYGMSSA-N 1 0 318.377 1.343 20 5 DDBDRO Cn1cc([N+](=O)[O-])c(C(=O)Nc2ccccc2C[NH+](C)C)n1 ZINC000552879982 307823795 /nfs/dbraw/zinc/82/37/95/307823795.db2.gz MLWZNFMJRLQEEM-UHFFFAOYSA-N 1 0 303.322 1.642 20 5 DDBDRO O=C(CC[C@@H]1CC[NH2+]C1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000564939745 308013969 /nfs/dbraw/zinc/01/39/69/308013969.db2.gz GPAWQEGPKXGYCG-GFCCVEGCSA-N 1 0 321.381 1.345 20 5 DDBDRO C[C@H](C[C@H]1CCCO1)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000567681719 308089249 /nfs/dbraw/zinc/08/92/49/308089249.db2.gz ZZYDPYVAQNJFLX-BPLDGKMQSA-N 1 0 324.377 1.882 20 5 DDBDRO C[C@@]1(CO)CCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000570780247 308179431 /nfs/dbraw/zinc/17/94/31/308179431.db2.gz NAJRSLZYSBVGRY-HNNXBMFYSA-N 1 0 307.350 1.770 20 5 DDBDRO COCC[N@H+](C)C[C@@H](O)CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000574168850 308264007 /nfs/dbraw/zinc/26/40/07/308264007.db2.gz KUTFCXRCVTYYPU-WFASDCNBSA-N 1 0 311.382 1.185 20 5 DDBDRO Cc1c(NC(=O)CC[NH2+][C@H]2C[C@H](O)C2(C)C)cccc1[N+](=O)[O-] ZINC000574287383 308266511 /nfs/dbraw/zinc/26/65/11/308266511.db2.gz DKFSBVPRFJAUIW-KBPBESRZSA-N 1 0 321.377 1.981 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC(=O)N1CCOCC1 ZINC000576852009 308344713 /nfs/dbraw/zinc/34/47/13/308344713.db2.gz ROVMOHXKLZDKNY-GFCCVEGCSA-N 1 0 307.350 1.413 20 5 DDBDRO C[C@@H]([NH3+])C1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000581824763 325918138 /nfs/dbraw/zinc/91/81/38/325918138.db2.gz YIJUFMFBNIHLLG-SECBINFHSA-N 1 0 321.333 1.523 20 5 DDBDRO CC1(C)[C@H]([NH2+]CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@@H]1O ZINC000584002016 331558346 /nfs/dbraw/zinc/55/83/46/331558346.db2.gz IVIMEYYKTNBHAW-KGLIPLIRSA-N 1 0 319.361 1.233 20 5 DDBDRO CC[NH2+]CCCNC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000584281522 332210108 /nfs/dbraw/zinc/21/01/08/332210108.db2.gz UKXYCNHSLVKVAY-UHFFFAOYSA-N 1 0 308.382 1.778 20 5 DDBDRO C[C@H](C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CC(F)(F)F ZINC000396968675 337242659 /nfs/dbraw/zinc/24/26/59/337242659.db2.gz YLOJZKVPWVQLGN-WPRPVWTQSA-N 1 0 310.276 1.330 20 5 DDBDRO CC[C@H]1C[N@H+](C)CCN1C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000583892211 337384067 /nfs/dbraw/zinc/38/40/67/337384067.db2.gz ZIFGKSKNRJFWGB-ZDUSSCGKSA-N 1 0 320.393 1.584 20 5 DDBDRO Cc1cc(C(=O)NC[C@]2(O)C[NH+]3CCC2CC3)ccc1[N+](=O)[O-] ZINC000556851935 484318705 /nfs/dbraw/zinc/31/87/05/484318705.db2.gz UITMEKNHNSZKAP-INIZCTEOSA-N 1 0 319.361 1.090 20 5 DDBDRO CC(C)COC[C@@H](O)C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000563002698 484331512 /nfs/dbraw/zinc/33/15/12/484331512.db2.gz JOGWFFCAPSISFK-LBPRGKRZSA-N 1 0 322.365 1.594 20 5 DDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000571670495 484340908 /nfs/dbraw/zinc/34/09/08/484340908.db2.gz GXUBDTSYQPWWCT-INIZCTEOSA-N 1 0 303.362 1.739 20 5 DDBDRO C[C@@H]1C[C@H](C)N(C(=O)COc2ccc([N+](=O)[O-])cc2)C[C@H]1C[NH3+] ZINC000424061645 533811511 /nfs/dbraw/zinc/81/15/11/533811511.db2.gz YFLSGLABBWQPPF-FRRDWIJNSA-N 1 0 321.377 1.805 20 5 DDBDRO Cc1c(CNC(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000418082295 533855752 /nfs/dbraw/zinc/85/57/52/533855752.db2.gz PXCZOQDJZMPBQE-KBPBESRZSA-N 1 0 318.377 1.797 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC1([NH+](C)C)CC1 ZINC000419824570 534336403 /nfs/dbraw/zinc/33/64/03/534336403.db2.gz ZGRXYWBFOJEGJF-UHFFFAOYSA-N 1 0 320.349 1.052 20 5 DDBDRO CC[N@@H+]1CCCN(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000158198653 521612645 /nfs/dbraw/zinc/61/26/45/521612645.db2.gz PUQWPKFCVMMZAB-UHFFFAOYSA-N 1 0 320.393 1.869 20 5 DDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CC[NH+](CC(C)C)CC1 ZINC000156841427 521792585 /nfs/dbraw/zinc/79/25/85/521792585.db2.gz XEYBBHDLMIDTHM-UHFFFAOYSA-N 1 0 320.393 1.732 20 5 DDBDRO Cc1cnn(CC2CC[NH+](CCn3cc([N+](=O)[O-])cn3)CC2)c1 ZINC000331822395 534738181 /nfs/dbraw/zinc/73/81/81/534738181.db2.gz HSWCWHNYNDIAQH-UHFFFAOYSA-N 1 0 318.381 1.708 20 5 DDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)NCC1([NH3+])CCCCCC1 ZINC000422741384 534739724 /nfs/dbraw/zinc/73/97/24/534739724.db2.gz PSWQPJFUQFIUEM-UHFFFAOYSA-N 1 0 306.366 1.959 20 5 DDBDRO CC(C)(C)OC(=O)[C@@]1(C)CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000459575334 526514536 /nfs/dbraw/zinc/51/45/36/526514536.db2.gz FJAAWLOTPGMXLO-HNNXBMFYSA-N 1 0 324.381 1.845 20 5 DDBDRO CC(C)(NC(=O)N[C@@H](C[NH3+])C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000418455267 527275138 /nfs/dbraw/zinc/27/51/38/527275138.db2.gz GSDZFDJOWXNZDM-ZDUSSCGKSA-N 1 0 306.366 1.866 20 5 DDBDRO CCC[C@@H]1C[NH2+]CCN1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000417233107 527798123 /nfs/dbraw/zinc/79/81/23/527798123.db2.gz NLMCPUOFBQKMNL-OAHLLOKOSA-N 1 0 320.393 1.921 20 5 DDBDRO CCOc1ccc(C(=O)N(C2CC2)[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000435232338 528388922 /nfs/dbraw/zinc/38/89/22/528388922.db2.gz KWAIPZYGDKDOFD-ZDUSSCGKSA-N 1 0 319.361 1.960 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H](C[NH3+])C[C@@H]2C)c1 ZINC000423461598 528611154 /nfs/dbraw/zinc/61/11/54/528611154.db2.gz JVNUKZDWWGTRTD-QWRGUYRKSA-N 1 0 307.350 1.803 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000422812966 528693508 /nfs/dbraw/zinc/69/35/08/528693508.db2.gz YSOCJULGLDDUAS-LLVKDONJSA-N 1 0 307.350 1.723 20 5 DDBDRO CC(C)[N@H+](C)CC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000299517422 528809328 /nfs/dbraw/zinc/80/93/28/528809328.db2.gz XBGPPGBZCPRYEU-UHFFFAOYSA-N 1 0 320.393 1.584 20 5 DDBDRO CC1(C)COC[C@H]1[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000451808004 529134745 /nfs/dbraw/zinc/13/47/45/529134745.db2.gz CPPKLJLCAMWUMS-BXUZGUMPSA-N 1 0 310.350 1.349 20 5 DDBDRO CC[NH+](CC)CCSc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000821197449 606222803 /nfs/dbraw/zinc/22/28/03/606222803.db2.gz LGAGCZDEDBMGDF-UHFFFAOYSA-N 1 0 323.382 1.604 20 5 DDBDRO C[C@@H]1CN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000820770243 606804056 /nfs/dbraw/zinc/80/40/56/606804056.db2.gz ZXKHRZLCIRHXKF-NOZJJQNGSA-N 1 0 317.353 1.161 20 5 DDBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000824994183 608554940 /nfs/dbraw/zinc/55/49/40/608554940.db2.gz UBYRWGVADQRACN-VHSXEESVSA-N 1 0 317.353 1.304 20 5 DDBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000078231710 696448513 /nfs/dbraw/zinc/44/85/13/696448513.db2.gz OTXCSKKCCUKYJX-LLVKDONJSA-N 1 0 322.321 1.717 20 5 DDBDRO CN(C1CCC([NH3+])CC1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000124866634 696746896 /nfs/dbraw/zinc/74/68/96/696746896.db2.gz BUFKJAXNJRTAIT-UHFFFAOYSA-N 1 0 319.408 1.547 20 5 DDBDRO CC(C)(O)C[NH+]1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000153947705 696923999 /nfs/dbraw/zinc/92/39/99/696923999.db2.gz VJEXABZNMTXBKO-OAHLLOKOSA-N 1 0 323.393 1.017 20 5 DDBDRO [NH3+]C[C@H]1CCCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000157643605 696980331 /nfs/dbraw/zinc/98/03/31/696980331.db2.gz GQFVSBYEEMBNNG-SECBINFHSA-N 1 0 317.342 1.093 20 5 DDBDRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])C1)C1CC1 ZINC000982970818 697196881 /nfs/dbraw/zinc/19/68/81/697196881.db2.gz XMSDQNUFEDGBBZ-YEORSEQZSA-N 1 0 303.362 1.989 20 5 DDBDRO NC(=O)C[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000776581544 698120969 /nfs/dbraw/zinc/12/09/69/698120969.db2.gz JRXZQWUDTBNCMZ-CQSZACIVSA-N 1 0 307.350 1.358 20 5 DDBDRO O=C(CC[NH2+][C@H](CO)C1CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000782536798 698735524 /nfs/dbraw/zinc/73/55/24/698735524.db2.gz YGOMURPGEGYFPO-CYBMUJFWSA-N 1 0 311.313 1.423 20 5 DDBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N1CC[C@]2(CCC[NH2+]2)C1 ZINC000424034010 699147538 /nfs/dbraw/zinc/14/75/38/699147538.db2.gz ZELZMOHKTJHSRZ-MRXNPFEDSA-N 1 0 319.361 1.718 20 5 DDBDRO CC[NH+](CC)CCS(=O)(=O)Oc1cc(F)ccc1[N+](=O)[O-] ZINC000786944872 699181474 /nfs/dbraw/zinc/18/14/74/699181474.db2.gz VGWLZBMQERXUKX-UHFFFAOYSA-N 1 0 320.342 1.784 20 5 DDBDRO O=C1C[C@]2(CC[N@@H+](Cn3ncc4cc([N+](=O)[O-])ccc43)C2)CN1 ZINC000788385349 699310501 /nfs/dbraw/zinc/31/05/01/699310501.db2.gz YZLDFMJUXSNOPB-OAHLLOKOSA-N 1 0 315.333 1.114 20 5 DDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@]3(CCC[NH2+]3)C2)cc1 ZINC000725374136 699331251 /nfs/dbraw/zinc/33/12/51/699331251.db2.gz IHPJDMFICMGLFP-ZDUSSCGKSA-N 1 0 311.363 1.111 20 5 DDBDRO Nc1ccc(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)cc1[N+](=O)[O-] ZINC000731018845 699520955 /nfs/dbraw/zinc/52/09/55/699520955.db2.gz AWBWQIJAQSWFAQ-GFCCVEGCSA-N 1 0 304.350 1.391 20 5 DDBDRO C[C@H](CC[NH+](C)C)NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000733164767 699581746 /nfs/dbraw/zinc/58/17/46/699581746.db2.gz BMJKCOSGSAZAKN-LLVKDONJSA-N 1 0 319.365 1.401 20 5 DDBDRO C[C@@H]1CCC[N@@H+]1CCNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000742239462 699868873 /nfs/dbraw/zinc/86/88/73/699868873.db2.gz NDZVPLKILFQDNT-SNVBAGLBSA-N 1 0 317.349 1.685 20 5 DDBDRO C[N@@H+]1CC[C@@](O)(CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000762715297 700904188 /nfs/dbraw/zinc/90/41/88/700904188.db2.gz BCVCMXSAFDSHKQ-CYBMUJFWSA-N 1 0 313.741 1.045 20 5 DDBDRO C[C@H](CNc1c([N+](=O)[O-])cccc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000804421245 701187896 /nfs/dbraw/zinc/18/78/96/701187896.db2.gz KVYSBCRKLQFZJN-LLVKDONJSA-N 1 0 323.353 1.551 20 5 DDBDRO C[C@H](CNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000770259236 701272935 /nfs/dbraw/zinc/27/29/35/701272935.db2.gz LXEATCPGBVIYBS-SNVBAGLBSA-N 1 0 308.338 1.300 20 5 DDBDRO CC[NH+](CC)CCS(=O)(=O)Oc1c(F)cccc1[N+](=O)[O-] ZINC000810064095 701718906 /nfs/dbraw/zinc/71/89/06/701718906.db2.gz REZCDDGYDPVJJL-UHFFFAOYSA-N 1 0 320.342 1.784 20 5 DDBDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839689950 701784925 /nfs/dbraw/zinc/78/49/25/701784925.db2.gz BFFUIIZGLKHCMK-NUEKZKHPSA-N 1 0 317.389 1.775 20 5 DDBDRO C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000839718433 701795867 /nfs/dbraw/zinc/79/58/67/701795867.db2.gz POWFVVJUBHXFIP-OCVGTWLNSA-N 1 0 317.389 1.773 20 5 DDBDRO Cc1cncc([N+](=O)[O-])c1NC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000879214395 706616755 /nfs/dbraw/zinc/61/67/55/706616755.db2.gz QSVROAPUFFUICX-VXGBXAGGSA-N 1 0 319.365 1.278 20 5 DDBDRO C[C@]([NH3+])(C(=O)NC[C@@H]1CCCS1)c1cccc([N+](=O)[O-])c1 ZINC000867945305 701846663 /nfs/dbraw/zinc/84/66/63/701846663.db2.gz TXNQARWSLZRGSI-GXTWGEPZSA-N 1 0 309.391 1.781 20 5 DDBDRO C[C@@]([NH3+])(C(=O)NC1CCSCC1)c1cccc([N+](=O)[O-])c1 ZINC000867953004 701850735 /nfs/dbraw/zinc/85/07/35/701850735.db2.gz LAAAGXLSZVXCLZ-AWEZNQCLSA-N 1 0 309.391 1.781 20 5 DDBDRO C[C@H](NC(=O)CCNc1ccccc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000868009591 701890040 /nfs/dbraw/zinc/89/00/40/701890040.db2.gz AZXXABQDMXVHQT-LBPRGKRZSA-N 1 0 320.393 1.901 20 5 DDBDRO C[NH+](C)C[C@@H](O)CNc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000840242495 702039968 /nfs/dbraw/zinc/03/99/68/702039968.db2.gz VQTFEDJPZMGZQX-QMMMGPOBSA-N 1 0 308.260 1.343 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)COc3cccc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC000812330340 702154980 /nfs/dbraw/zinc/15/49/80/702154980.db2.gz BLGXZXDQXFDRNE-OLZOCXBDSA-N 1 0 319.361 1.384 20 5 DDBDRO C[N@@H+]1CC[C@H]2CN(c3ccc([N+](=O)[O-])c(C(N)=O)c3)CC[C@H]21 ZINC000866208677 706649219 /nfs/dbraw/zinc/64/92/19/706649219.db2.gz KJNKXKOGPUMAFU-GXFFZTMASA-N 1 0 304.350 1.224 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)c1 ZINC000866210128 706649763 /nfs/dbraw/zinc/64/97/63/706649763.db2.gz YFGYRTVUFHDXIL-STQMWFEESA-N 1 0 319.361 1.912 20 5 DDBDRO COC1([C@H](C)[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000817295943 702334339 /nfs/dbraw/zinc/33/43/39/702334339.db2.gz ADRKGGAIOWYJSS-SWLSCSKDSA-N 1 0 324.377 1.802 20 5 DDBDRO C[NH+](C)C1CCC(NC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000817659287 702438779 /nfs/dbraw/zinc/43/87/79/702438779.db2.gz CCMPEYTXDHNQRX-PIMMBPRGSA-N 1 0 321.377 1.617 20 5 DDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000818000733 702548660 /nfs/dbraw/zinc/54/86/60/702548660.db2.gz UTBRQQOZWKJUEX-NHYWBVRUSA-N 1 0 318.377 1.781 20 5 DDBDRO C[NH2+][C@@H](C)Cc1noc(-c2cc([N+](=O)[O-])ccc2N(C)C)n1 ZINC000842626134 702745138 /nfs/dbraw/zinc/74/51/38/702745138.db2.gz UKKBNEOWFSAETL-VIFPVBQESA-N 1 0 305.338 1.861 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NC[C@H](C)C[NH3+])c1 ZINC000842786587 702773475 /nfs/dbraw/zinc/77/34/75/702773475.db2.gz CZLBTLXNVCZBNZ-MRVPVSSYSA-N 1 0 321.786 1.430 20 5 DDBDRO C[C@@H]([NH2+]CCCc1ncn(C)n1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000842904632 702789150 /nfs/dbraw/zinc/78/91/50/702789150.db2.gz VJBGKAXQGSCSOX-SNVBAGLBSA-N 1 0 304.354 1.589 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@H](O)c2ccccn2)c1 ZINC000843092751 702817634 /nfs/dbraw/zinc/81/76/34/702817634.db2.gz DQACUHKOPWMWLQ-CABCVRRESA-N 1 0 303.318 1.346 20 5 DDBDRO [NH3+]C1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000843345120 702863471 /nfs/dbraw/zinc/86/34/71/702863471.db2.gz UFTYLXVFHJBQHC-UHFFFAOYSA-N 1 0 310.329 1.486 20 5 DDBDRO [NH3+][C@@H]1CCCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000843345471 702863540 /nfs/dbraw/zinc/86/35/40/702863540.db2.gz NDHKBGGWFFVXAE-SNVBAGLBSA-N 1 0 310.329 1.486 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000843347042 702863602 /nfs/dbraw/zinc/86/36/02/702863602.db2.gz QZLCGXSFWYIWKF-KWQFWETISA-N 1 0 322.321 1.621 20 5 DDBDRO CN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@@H](C[NH3+])C1CC1 ZINC000843386340 702871149 /nfs/dbraw/zinc/87/11/49/702871149.db2.gz HFKYPGYFSSCQDQ-AWEZNQCLSA-N 1 0 324.356 1.732 20 5 DDBDRO CN(C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])C1CC([NH3+])C1 ZINC000843482979 702890611 /nfs/dbraw/zinc/89/06/11/702890611.db2.gz FEQOVDRWUXSXGH-UHFFFAOYSA-N 1 0 315.732 1.878 20 5 DDBDRO C[C@H]([NH3+])[C@H](C)NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000843487304 702891134 /nfs/dbraw/zinc/89/11/34/702891134.db2.gz OHDDOFWFMRFZHT-BQBZGAKWSA-N 1 0 303.721 1.782 20 5 DDBDRO Cc1c(C(=O)N[C@@H](C)C[C@@H](C)[NH3+])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000843503038 702895932 /nfs/dbraw/zinc/89/59/32/702895932.db2.gz IUTKCCKBDTUADU-SFYZADRCSA-N 1 0 310.310 1.667 20 5 DDBDRO NC(=O)[C@H]1C[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000846046048 703230238 /nfs/dbraw/zinc/23/02/38/703230238.db2.gz CWNBSKNHXYAUTA-BJHJDKERSA-N 1 0 318.377 1.417 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NOC1CC[NH+](C)CC1 ZINC000846651093 703308717 /nfs/dbraw/zinc/30/87/17/703308717.db2.gz YOIXYITVZUFLNZ-UHFFFAOYSA-N 1 0 309.322 1.359 20 5 DDBDRO Cc1c(C(=O)NCCC2(C[NH3+])CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000846690711 703318520 /nfs/dbraw/zinc/31/85/20/703318520.db2.gz GWGVRKYEUQZQKB-UHFFFAOYSA-N 1 0 322.321 1.670 20 5 DDBDRO C[C@@H]([NH2+][C@H]1CCc2c(nnn2C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000848565497 703563513 /nfs/dbraw/zinc/56/35/13/703563513.db2.gz XLYXOCVLOORSJC-KOLCDFICSA-N 1 0 316.365 1.514 20 5 DDBDRO C[C@H]1CN(C(=[NH2+])NCCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000849007491 703610012 /nfs/dbraw/zinc/61/00/12/703610012.db2.gz SHDQZKGUIDVAFH-NSHDSACASA-N 1 0 308.338 1.219 20 5 DDBDRO CO[C@H](C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCOC1 ZINC000849328414 703635777 /nfs/dbraw/zinc/63/57/77/703635777.db2.gz ZMEBIKTUBPBNTK-NWANDNLSSA-N 1 0 310.350 1.269 20 5 DDBDRO CC1(C)CC[NH2+]CCN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000866700306 706768620 /nfs/dbraw/zinc/76/86/20/706768620.db2.gz YQJKIOMIKRPTPP-UHFFFAOYSA-N 1 0 306.366 1.607 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000818564325 703927011 /nfs/dbraw/zinc/92/70/11/703927011.db2.gz WCUDVDFNLBJZRV-LLVKDONJSA-N 1 0 323.324 1.466 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000866719766 706775263 /nfs/dbraw/zinc/77/52/63/706775263.db2.gz CXEZKNNSBATZOY-GJZGRUSLSA-N 1 0 318.377 1.668 20 5 DDBDRO Cc1c(C(=O)NC(C)(C)CC[NH3+])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000818613082 703941719 /nfs/dbraw/zinc/94/17/19/703941719.db2.gz DSPOJVKGYGWDJI-UHFFFAOYSA-N 1 0 310.310 1.669 20 5 DDBDRO CN(C)c1ncccc1C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818958863 704035519 /nfs/dbraw/zinc/03/55/19/704035519.db2.gz YKIRRDUXHZVUGB-OAHLLOKOSA-N 1 0 316.361 1.879 20 5 DDBDRO COCC[N@H+](CCF)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000852481965 704058603 /nfs/dbraw/zinc/05/86/03/704058603.db2.gz AJOMPCWCWQGXJM-UHFFFAOYSA-N 1 0 313.329 1.841 20 5 DDBDRO C[C@@H]1C[C@@H]1N1C[C@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000819123034 704072596 /nfs/dbraw/zinc/07/25/96/704072596.db2.gz SLFJPZLAWGPPRF-DWZYQQQCSA-N 1 0 319.361 1.227 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@@H]2COC3(CCCC3)O2)cc1 ZINC000819204278 704086078 /nfs/dbraw/zinc/08/60/78/704086078.db2.gz BARJMTFKCSBWEQ-CABCVRRESA-N 1 0 322.361 1.904 20 5 DDBDRO CC(C)OC(=O)CCC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819233529 704091409 /nfs/dbraw/zinc/09/14/09/704091409.db2.gz BLZKMEVVZNWXAJ-CQSZACIVSA-N 1 0 310.350 1.950 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]Cc1cccnc1F ZINC000819276550 704099418 /nfs/dbraw/zinc/09/94/18/704099418.db2.gz OLWHXMSTSIHKOB-GFCCVEGCSA-N 1 0 321.308 1.658 20 5 DDBDRO O=[N+]([O-])c1ccc(F)cc1CN1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000852710030 704103779 /nfs/dbraw/zinc/10/37/79/704103779.db2.gz HZLQNZGOBIKNOA-OAHLLOKOSA-N 1 0 323.368 1.765 20 5 DDBDRO CC(C)[NH+]1CCC(CCNC(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000870959350 704182005 /nfs/dbraw/zinc/18/20/05/704182005.db2.gz DEYHXADZENVYIE-UHFFFAOYSA-N 1 0 323.397 1.418 20 5 DDBDRO O=[N+]([O-])c1ccc2c(cnn2C[N@@H+]2CC[C@@H]3COC[C@@H]3C2)c1 ZINC000853586440 704276447 /nfs/dbraw/zinc/27/64/47/704276447.db2.gz RMQXRUCMLFGDFL-YPMHNXCESA-N 1 0 302.334 1.870 20 5 DDBDRO CN(CCC[NH+](C)C)CCNc1ccc([N+](=O)[O-])c2nonc21 ZINC000853798473 704316837 /nfs/dbraw/zinc/31/68/37/704316837.db2.gz HGSJPDOYQCZQSX-UHFFFAOYSA-N 1 0 322.369 1.426 20 5 DDBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NOC1CC[NH+](C)CC1 ZINC000854358049 704385497 /nfs/dbraw/zinc/38/54/97/704385497.db2.gz NWCFZSPLGXWDCI-UHFFFAOYSA-N 1 0 311.313 1.798 20 5 DDBDRO C[C@H](C[NH3+])CNC(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857764789 704621857 /nfs/dbraw/zinc/62/18/57/704621857.db2.gz AORGWOPQDGEVNG-MRVPVSSYSA-N 1 0 303.265 1.277 20 5 DDBDRO C[C@@H]1CN(C(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000857764808 704621860 /nfs/dbraw/zinc/62/18/60/704621860.db2.gz BCHKOQFRGQZEOM-SECBINFHSA-N 1 0 315.276 1.387 20 5 DDBDRO [NH3+]C[C@H](NC(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000857766040 704622315 /nfs/dbraw/zinc/62/23/15/704622315.db2.gz XPYBXPMFBYFNML-NSHDSACASA-N 1 0 315.276 1.420 20 5 DDBDRO O=[N+]([O-])c1cccc2c1CCN(C[C@@H](O)CC1(O)CCC1)C2 ZINC000859208957 704821937 /nfs/dbraw/zinc/82/19/37/704821937.db2.gz VABIJGZKLLMEAX-ZDUSSCGKSA-N 1 0 306.362 1.619 20 5 DDBDRO CCc1n[nH]c(C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3C)c1[N+](=O)[O-] ZINC000874842041 705196973 /nfs/dbraw/zinc/19/69/73/705196973.db2.gz ZNFYMKGSWSYDER-WDEREUQCSA-N 1 0 307.354 1.189 20 5 DDBDRO C[C@H]([NH2+][C@H]1C[C@@H]2CCCCN2C1=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834916447 707147665 /nfs/dbraw/zinc/14/76/65/707147665.db2.gz YVVOELBNSGXLJH-JKOKRWQUSA-N 1 0 318.377 1.981 20 5 DDBDRO O=C(CCc1cc(F)ccc1[N+](=O)[O-])N1CC([NH+]2CCCC2)C1 ZINC000824866967 705545898 /nfs/dbraw/zinc/54/58/98/705545898.db2.gz VOZUFTDRJLJWSS-UHFFFAOYSA-N 1 0 321.352 1.973 20 5 DDBDRO CC[N@H+](CCNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000825682718 705713835 /nfs/dbraw/zinc/71/38/35/705713835.db2.gz BHPMLWLCTXRDFF-CQSZACIVSA-N 1 0 307.350 1.229 20 5 DDBDRO COC(=O)C1=CC[C@@H]([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000862466152 705719998 /nfs/dbraw/zinc/71/99/98/705719998.db2.gz OAQNPPQOELZZJS-GFCCVEGCSA-N 1 0 306.318 1.955 20 5 DDBDRO C[N@@H+]1CCC[C@H](CNC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000825777196 705729463 /nfs/dbraw/zinc/72/94/63/705729463.db2.gz RFSZPCQOXBVXDG-BXUZGUMPSA-N 1 0 307.350 1.086 20 5 DDBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825830354 705735137 /nfs/dbraw/zinc/73/51/37/705735137.db2.gz KNQHOVDEIUKUMP-LSDHHAIUSA-N 1 0 321.377 1.619 20 5 DDBDRO O=C(/C=C\[C@H]1CCC[NH2+]C1)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000876563504 705759630 /nfs/dbraw/zinc/75/96/30/705759630.db2.gz JNIBZRKJRNUWNP-UJYKQDJBSA-N 1 0 318.377 1.679 20 5 DDBDRO CN1CCOC[C@@H]1CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000862971108 705839736 /nfs/dbraw/zinc/83/97/36/705839736.db2.gz JFWMNJUMJPFCML-GBXSZLQWSA-N 1 0 305.334 1.055 20 5 DDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@H](O)c3ccccc3)C2)c1 ZINC000876890606 705911053 /nfs/dbraw/zinc/91/10/53/705911053.db2.gz DAICIZHTEQVGEG-PIMMBPRGSA-N 1 0 302.334 1.818 20 5 DDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]CCOC[C@@H]3CCOC3)C2)c1 ZINC000877008715 705957613 /nfs/dbraw/zinc/95/76/13/705957613.db2.gz WVECMIXKGMNZER-PNESKVBLSA-N 1 0 310.354 1.138 20 5 DDBDRO COc1c(C(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)cccc1[N+](=O)[O-] ZINC000827264788 705963293 /nfs/dbraw/zinc/96/32/93/705963293.db2.gz DOTUQMFNNVMITF-YPMHNXCESA-N 1 0 319.361 1.770 20 5 DDBDRO CC(C)N1C[C@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CC1=O ZINC000877052815 705972406 /nfs/dbraw/zinc/97/24/06/705972406.db2.gz WZBNMCXJODIAJY-MOENNCHZSA-N 1 0 307.354 1.094 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H](CCO)C3CC3)CC2)cn1 ZINC000877058978 705974171 /nfs/dbraw/zinc/97/41/71/705974171.db2.gz ICOKSVVUPMJESO-HNNXBMFYSA-N 1 0 320.393 1.709 20 5 DDBDRO C[N@@H+]1CC[C@H]2CN(C(=O)COc3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000827374769 705988875 /nfs/dbraw/zinc/98/88/75/705988875.db2.gz PUIPHAFKSICHDQ-STQMWFEESA-N 1 0 319.361 1.526 20 5 DDBDRO CS[C@H]1CN(C(=O)CCC(C)(C)[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000827426503 705997997 /nfs/dbraw/zinc/99/79/97/705997997.db2.gz SAWUMMKBIUZZTE-MNOVXSKESA-N 1 0 303.428 1.326 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000877156587 706000721 /nfs/dbraw/zinc/00/07/21/706000721.db2.gz DAZSARGYNFEVDK-LLVKDONJSA-N 1 0 306.366 1.806 20 5 DDBDRO COc1ccc(C(=O)N2C3CCC2(C[NH3+])CC3)cc1[N+](=O)[O-] ZINC000877192796 706012867 /nfs/dbraw/zinc/01/28/67/706012867.db2.gz RUYOCPMKVYYQRT-UHFFFAOYSA-N 1 0 305.334 1.699 20 5 DDBDRO CCOc1ccc(C(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)cc1[N+](=O)[O-] ZINC000877288646 706049672 /nfs/dbraw/zinc/04/96/72/706049672.db2.gz OZWDSAQKGWJLIU-QWHCGFSZSA-N 1 0 319.361 1.960 20 5 DDBDRO C[N@@H+]1CC[C@H]1CN1C(=O)N[C@](C)(c2cccc([N+](=O)[O-])c2)C1=O ZINC000877875788 706230729 /nfs/dbraw/zinc/23/07/29/706230729.db2.gz RQLYKLFSRBTRLW-SWLSCSKDSA-N 1 0 318.333 1.066 20 5 DDBDRO Cc1ccc(CNC(=S)NCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000865263948 706391360 /nfs/dbraw/zinc/39/13/60/706391360.db2.gz KKBQRZDDVGZODL-UHFFFAOYSA-N 1 0 310.423 1.819 20 5 DDBDRO O=[N+]([O-])c1cc(CO)c(N2CC[NH+](C3CCC3)CC2)cc1F ZINC000865538132 706458132 /nfs/dbraw/zinc/45/81/32/706458132.db2.gz PVDMFFQEZLSNJR-UHFFFAOYSA-N 1 0 309.341 1.901 20 5 DDBDRO COc1cc(OS(=O)(=O)CCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000867211080 706926212 /nfs/dbraw/zinc/92/62/12/706926212.db2.gz KPPZATGKRQAWKU-UHFFFAOYSA-N 1 0 318.351 1.264 20 5 DDBDRO CO[C@@H]1COCC[C@@H]1[N@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000880434020 706975307 /nfs/dbraw/zinc/97/53/07/706975307.db2.gz VOMMNTDVPXIFIM-RRFJBIMHSA-N 1 0 310.350 1.364 20 5 DDBDRO CC(C)C[N@@H+]1CCO[C@@H](COC(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000835158557 707185236 /nfs/dbraw/zinc/18/52/36/707185236.db2.gz HXYIFZXVUJOUEI-CYBMUJFWSA-N 1 0 316.398 1.722 20 5 DDBDRO COC[C@@H](C)OC[C@@H](O)C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000872230949 707339897 /nfs/dbraw/zinc/33/98/97/707339897.db2.gz ASBARUGRHANRIS-OCCSQVGLSA-N 1 0 312.366 1.405 20 5 DDBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000882480313 707650530 /nfs/dbraw/zinc/65/05/30/707650530.db2.gz PWFVRBAXXPUEMC-SNVBAGLBSA-N 1 0 321.333 1.190 20 5 DDBDRO Cc1c(C[NH2+][C@@H]2CCCN(CCCO)C2)cccc1[N+](=O)[O-] ZINC000873129309 707742594 /nfs/dbraw/zinc/74/25/94/707742594.db2.gz MEGMNSAYHYBULY-OAHLLOKOSA-N 1 0 307.394 1.840 20 5 DDBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000883167697 707945550 /nfs/dbraw/zinc/94/55/50/707945550.db2.gz FPMWESZPAHYUEF-CYBMUJFWSA-N 1 0 322.365 1.497 20 5 DDBDRO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839463373 708049332 /nfs/dbraw/zinc/04/93/32/708049332.db2.gz OKRPWTBLJHUPAR-RBSFLKMASA-N 1 0 303.362 1.605 20 5 DDBDRO CCO[C@H](C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)CN(C)C ZINC000896877221 708170143 /nfs/dbraw/zinc/17/01/43/708170143.db2.gz IBJLGODHNRYKHU-ORHYLEIMSA-N 1 0 311.386 1.051 20 5 DDBDRO Cc1nc(N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)ccc1[N+](=O)[O-] ZINC000897221120 708258710 /nfs/dbraw/zinc/25/87/10/708258710.db2.gz HLOXKMMTJRIJSF-KGLIPLIRSA-N 1 0 306.366 1.334 20 5 DDBDRO C[C@@H]1C[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000897683208 708418750 /nfs/dbraw/zinc/41/87/50/708418750.db2.gz ATSMIWYWIBSXOU-IAQYHMDHSA-N 1 0 316.361 1.808 20 5 DDBDRO C[C@H]1CN(Cc2cccnc2[N+](=O)[O-])CC[N@@H+]1CC(C)(C)O ZINC000886160427 708707786 /nfs/dbraw/zinc/70/77/86/708707786.db2.gz SVLJNRVOFCZLAZ-LBPRGKRZSA-N 1 0 308.382 1.267 20 5 DDBDRO O=C1NCCN1CC[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000886745351 708833611 /nfs/dbraw/zinc/83/36/11/708833611.db2.gz UZGWXLACSYZTCO-OAHLLOKOSA-N 1 0 318.377 1.977 20 5 DDBDRO [NH3+]C[C@H]1CN(Cc2cccnc2[N+](=O)[O-])CC[C@H]1C(F)(F)F ZINC000886841859 708859434 /nfs/dbraw/zinc/85/94/34/708859434.db2.gz YNFYKUCCODILLF-WDEREUQCSA-N 1 0 318.299 1.949 20 5 DDBDRO Cc1ccc(CNC(=O)C2C[NH+]([C@@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC000899178303 709011026 /nfs/dbraw/zinc/01/10/26/709011026.db2.gz HNPBXOQXTQRFEQ-CQSZACIVSA-N 1 0 319.361 1.240 20 5 DDBDRO CC(C)(CCC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12)[N+](=O)[O-] ZINC000928084741 713122346 /nfs/dbraw/zinc/12/23/46/713122346.db2.gz XPRKLSFGLPZEPD-RYUDHWBXSA-N 1 0 315.439 1.518 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912925623 713126725 /nfs/dbraw/zinc/12/67/25/713126725.db2.gz NWIAIZPFRPZEKG-ZDUSSCGKSA-N 1 0 305.334 1.280 20 5 DDBDRO CCc1n[nH]c(C(=O)N2CCC[N@@H+](CC)C[C@H]2C)c1[N+](=O)[O-] ZINC000910286366 709867094 /nfs/dbraw/zinc/86/70/94/709867094.db2.gz GPTVXIKTWPKVDJ-SNVBAGLBSA-N 1 0 309.370 1.437 20 5 DDBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)C13CC[NH+](CC1)C3)CC2 ZINC000901318277 710007840 /nfs/dbraw/zinc/00/78/40/710007840.db2.gz SQWYFXSCNNHWBG-UHFFFAOYSA-N 1 0 301.346 1.888 20 5 DDBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891670112 710261865 /nfs/dbraw/zinc/26/18/65/710261865.db2.gz YSHJZUALVKRICG-ONGXEEELSA-N 1 0 310.741 1.504 20 5 DDBDRO COc1cc([N+](=O)[O-])cnc1N1CCC([N@H+](C)CCCO)CC1 ZINC000892560326 710458445 /nfs/dbraw/zinc/45/84/45/710458445.db2.gz GOZDEJAIQXPMQT-UHFFFAOYSA-N 1 0 324.381 1.281 20 5 DDBDRO C[C@@H]1[C@@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC[N@@H+]1C ZINC000928448990 713201556 /nfs/dbraw/zinc/20/15/56/713201556.db2.gz DGOWJJVFLKARCK-SCZZXKLOSA-N 1 0 307.306 1.146 20 5 DDBDRO C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000911778720 710981495 /nfs/dbraw/zinc/98/14/95/710981495.db2.gz UCVWOSHRQJXIOS-GLQYFDAESA-N 1 0 303.362 1.766 20 5 DDBDRO COC(=O)[C@H]1[C@H](C[NH2+]CCc2ccc([N+](=O)[O-])cc2)C1(F)F ZINC000894242413 711031720 /nfs/dbraw/zinc/03/17/20/711031720.db2.gz ZOSGHIPTEIZIKD-NWDGAFQWSA-N 1 0 314.288 1.781 20 5 DDBDRO C[C@H](N[C@H]1CC[NH2+]C12CCC2)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000903465277 711134596 /nfs/dbraw/zinc/13/45/96/711134596.db2.gz GRZLTUQKGQCLKJ-FZMZJTMJSA-N 1 0 318.377 1.796 20 5 DDBDRO O=[N+]([O-])c1cccc2c1CCN(C[C@@H]1CC3(C[NH2+]C3)CO1)C2 ZINC000903883555 711315884 /nfs/dbraw/zinc/31/58/84/711315884.db2.gz XPQZZZVGMWKXRQ-ZDUSSCGKSA-N 1 0 303.362 1.331 20 5 DDBDRO COc1c(O)ccc(C[N@@H+]2C[C@H](C)C[C@H](CO)C2)c1[N+](=O)[O-] ZINC000894973825 711346394 /nfs/dbraw/zinc/34/63/94/711346394.db2.gz BECKRDUSKGUBBT-MNOVXSKESA-N 1 0 310.350 1.759 20 5 DDBDRO COc1ccc(CNC[C@H]2C[NH2+]CCC2(F)F)cc1[N+](=O)[O-] ZINC000903955164 711347324 /nfs/dbraw/zinc/34/73/24/711347324.db2.gz LUGWZZIQGKCJEO-LLVKDONJSA-N 1 0 315.320 1.938 20 5 DDBDRO O=[N+]([O-])c1cccc(CN[C@@H]2C[NH2+]CC3(CCOCC3)C2)c1 ZINC000903974086 711353663 /nfs/dbraw/zinc/35/36/63/711353663.db2.gz LGQCAUGQPSEZHG-AWEZNQCLSA-N 1 0 305.378 1.843 20 5 DDBDRO O=[N+]([O-])c1cnc2ccc(F)cc2c1NC[C@@H]1CSCC[NH2+]1 ZINC000895125941 711426288 /nfs/dbraw/zinc/42/62/88/711426288.db2.gz WMBYEFJEWRHJDO-SNVBAGLBSA-N 1 0 322.365 1.821 20 5 DDBDRO COc1c(O)ccc(C[N@@H+]2C[C@@H]3COC[C@@]3(C)C2)c1[N+](=O)[O-] ZINC000895386248 711500143 /nfs/dbraw/zinc/50/01/43/711500143.db2.gz PIUCGUBEOSRVSC-IAQYHMDHSA-N 1 0 308.334 1.777 20 5 DDBDRO CO[C@H]1C[C@H](C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000895540151 711537573 /nfs/dbraw/zinc/53/75/73/711537573.db2.gz STVXNDRXUGGHAP-NNUKFRKNSA-N 1 0 320.393 1.973 20 5 DDBDRO O=C1NCC2(CCOCC2)[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000895768544 711600417 /nfs/dbraw/zinc/60/04/17/711600417.db2.gz ILENIPYRRQJWBX-AWEZNQCLSA-N 1 0 319.361 1.022 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1N[C@H](CC[NH+](C)C)c1cccnc1 ZINC000895891642 711639394 /nfs/dbraw/zinc/63/93/94/711639394.db2.gz KTUGUFFQTKIEFW-GFCCVEGCSA-N 1 0 304.354 1.828 20 5 DDBDRO O=[N+]([O-])CC[NH2+]CCN(Cc1ccccc1)c1ccccn1 ZINC000905415122 712031653 /nfs/dbraw/zinc/03/16/53/712031653.db2.gz FDTUIYVBWXBTRM-UHFFFAOYSA-N 1 0 300.362 1.955 20 5 DDBDRO C[C@H]1[C@@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CCN1C ZINC000905541100 712071350 /nfs/dbraw/zinc/07/13/50/712071350.db2.gz BITNKPXWGXHKHJ-RYUDHWBXSA-N 1 0 306.366 1.606 20 5 DDBDRO CC1(C)CCN(CC[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000905678289 712115302 /nfs/dbraw/zinc/11/53/02/712115302.db2.gz KEAUMOCPRVREJG-HNNXBMFYSA-N 1 0 307.394 1.950 20 5 DDBDRO [NH3+]CC1CCN(C(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC000906628247 712374124 /nfs/dbraw/zinc/37/41/24/712374124.db2.gz RYUDZMSXDAOYDT-CABCVRRESA-N 1 0 303.362 1.896 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCN(CC[NH+]3CCCC3)CC2)cn1 ZINC000917095805 713482108 /nfs/dbraw/zinc/48/21/08/713482108.db2.gz PYSMONFCLSAMLU-UHFFFAOYSA-N 1 0 305.382 1.208 20 5 DDBDRO C[NH+](C)CCCOC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000920089851 713650541 /nfs/dbraw/zinc/65/05/41/713650541.db2.gz VYJJPLYYGHLROP-UHFFFAOYSA-N 1 0 319.321 1.284 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]Cc2cnn(CCF)c2)cc1 ZINC000921703939 713848681 /nfs/dbraw/zinc/84/86/81/713848681.db2.gz DUVGEPYXHFQNGR-CQSZACIVSA-N 1 0 308.313 1.584 20 5 DDBDRO COc1cc(CN2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)c([N+](=O)[O-])cc1F ZINC000931279133 714055308 /nfs/dbraw/zinc/05/53/08/714055308.db2.gz ZBVSSGHZGJGNSK-HBYGRHMLSA-N 1 0 309.341 1.734 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931280882 714055869 /nfs/dbraw/zinc/05/58/69/714055869.db2.gz IWADHFJUPIGKNN-VIKVFOODSA-N 1 0 318.377 1.334 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H](O)c1ccnn1C ZINC000922975665 714202082 /nfs/dbraw/zinc/20/20/82/714202082.db2.gz WNBISQYFWBVVRD-HNNXBMFYSA-N 1 0 304.350 1.768 20 5 DDBDRO Cc1c(C[NH2+][C@H]2C[C@H](O)C23CCOCC3)cccc1[N+](=O)[O-] ZINC000923021409 714215847 /nfs/dbraw/zinc/21/58/47/714215847.db2.gz YWVRYOICHWRPOY-GJZGRUSLSA-N 1 0 306.362 1.923 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000923312880 714308079 /nfs/dbraw/zinc/30/80/79/714308079.db2.gz MMYONLCYFOYMMV-UONOGXRCSA-N 1 0 303.362 1.832 20 5 DDBDRO Cc1c(NC(=O)CC[NH2+][C@H]2COC[C@H]2C)cccc1[N+](=O)[O-] ZINC000932494108 714346262 /nfs/dbraw/zinc/34/62/62/714346262.db2.gz ILMOHMRCBQMUJO-MFKMUULPSA-N 1 0 307.350 1.856 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2C[C@H](C3CC3)C[C@@H]2C2CC2)c1 ZINC000932892607 714431935 /nfs/dbraw/zinc/43/19/35/714431935.db2.gz GLWLVFRKILCELN-VNQPRFMTSA-N 1 0 320.393 1.663 20 5 DDBDRO CC1(C)CN(C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000934055517 714733088 /nfs/dbraw/zinc/73/30/88/714733088.db2.gz LETFYCHTNJJSHT-ZIAGYGMSSA-N 1 0 303.362 1.909 20 5 DDBDRO C[C@@H]1[C@H](NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000925317519 714807021 /nfs/dbraw/zinc/80/70/21/714807021.db2.gz MCKAOCIKYMURRK-DGCLKSJQSA-N 1 0 306.366 1.829 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000935942630 715139327 /nfs/dbraw/zinc/13/93/27/715139327.db2.gz QRQJRKWUFRBWCW-FUNVUKJBSA-N 1 0 321.381 1.183 20 5 DDBDRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1cccc([N+](=O)[O-])n1 ZINC001164932529 721853771 /nfs/dbraw/zinc/85/37/71/721853771.db2.gz YQVAGGKZVBCUMK-STQMWFEESA-N 1 0 305.382 1.204 20 5 DDBDRO CN(CCNC(=O)C[N@H+](C)C1CCC1)c1ccc([N+](=O)[O-])cn1 ZINC001100386632 732305329 /nfs/dbraw/zinc/30/53/29/732305329.db2.gz METMRJMYLMZWLD-UHFFFAOYSA-N 1 0 321.381 1.027 20 5 DDBDRO C[C@@H](Nc1c2c(ccc1[N+](=O)[O-])NCC2)[C@@H]1C[N@H+](C)CCN1C ZINC001120960719 782258377 /nfs/dbraw/zinc/25/83/77/782258377.db2.gz WTKRFGWXGPFIAZ-ABAIWWIYSA-N 1 0 319.409 1.609 20 5 DDBDRO O=C(/C=C\c1ccc[nH]1)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001126238079 738742752 /nfs/dbraw/zinc/74/27/52/738742752.db2.gz HNUMATLHJUOLNJ-FPLPWBNLSA-N 1 0 314.345 1.842 20 5 DDBDRO N=c1cc(C[NH3+])ccn1-c1nccc(Br)c1[N+](=O)[O-] ZINC001167691428 736056063 /nfs/dbraw/zinc/05/60/63/736056063.db2.gz FTNSLJPQENWJHJ-UHFFFAOYSA-N 1 0 324.138 1.481 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H]2CCCC[C@@H]2[NH+](C)C)n1 ZINC001125881140 737318260 /nfs/dbraw/zinc/31/82/60/737318260.db2.gz SVUFGBSPYUIVRK-OCCSQVGLSA-N 1 0 306.366 1.901 20 5 DDBDRO Cc1c[nH]c(C(=O)NCCC[NH2+]Cc2ccccc2[N+](=O)[O-])n1 ZINC001167963804 740264649 /nfs/dbraw/zinc/26/46/49/740264649.db2.gz NFASQWYFCOQYKZ-UHFFFAOYSA-N 1 0 317.349 1.536 20 5 DDBDRO Cc1ccc(N(C)CCN(C)C(=O)CC[NH+](C)C)c([N+](=O)[O-])c1 ZINC001105554108 742112792 /nfs/dbraw/zinc/11/27/92/742112792.db2.gz OUHQNZXPSPQWGK-UHFFFAOYSA-N 1 0 322.409 1.750 20 5 DDBDRO Cc1c(CC(=O)N[C@H](CO)c2cncn2C)cccc1[N+](=O)[O-] ZINC001168348522 742210323 /nfs/dbraw/zinc/21/03/23/742210323.db2.gz DHQMHYAMIGXMRO-GFCCVEGCSA-N 1 0 318.333 1.029 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CN1C[C@@H]2C[N@@H+](C)CC[C@@H]2C1 ZINC001196790816 746963497 /nfs/dbraw/zinc/96/34/97/746963497.db2.gz YTYUUFXSIZCLGM-OCCSQVGLSA-N 1 0 305.378 1.987 20 5 DDBDRO Cc1nccc(CN[C@@](C)(CO)c2cccc([N+](=O)[O-])c2)n1 ZINC001196907326 747004892 /nfs/dbraw/zinc/00/48/92/747004892.db2.gz LEDWZELFXUTEGQ-HNNXBMFYSA-N 1 0 302.334 1.691 20 5 DDBDRO COCCOCC[NH2+]Cc1cc(OC)c(O)cc1[N+](=O)[O-] ZINC001199707820 747959525 /nfs/dbraw/zinc/95/95/25/747959525.db2.gz ATCNAIQFTOBWGR-UHFFFAOYSA-N 1 0 300.311 1.062 20 5 DDBDRO COc1cc(NCC2([NH+](C)C)CCN(C)CC2)ncc1[N+](=O)[O-] ZINC001156181856 761935579 /nfs/dbraw/zinc/93/55/79/761935579.db2.gz GRGABIOKVIQNNG-UHFFFAOYSA-N 1 0 323.397 1.436 20 5 DDBDRO Cc1nocc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001034642888 750624623 /nfs/dbraw/zinc/62/46/23/750624623.db2.gz HFZBRGXVBHZXLL-AAVRWANBSA-N 1 0 322.365 1.165 20 5 DDBDRO O=C(c1ccco1)N1CCC([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168977306 762147334 /nfs/dbraw/zinc/14/73/34/762147334.db2.gz JHMTYSFTIGIMDU-GXTWGEPZSA-N 1 0 321.377 1.919 20 5 DDBDRO COC(=O)c1cccc(C(=[NH2+])N[C@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001168985039 762152091 /nfs/dbraw/zinc/15/20/91/762152091.db2.gz CGDBCGJVJKQKPV-GWCFXTLKSA-N 1 0 305.334 1.834 20 5 DDBDRO COC(=O)c1ccc([C@H](CO)[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1 ZINC001169000987 762171630 /nfs/dbraw/zinc/17/16/30/762171630.db2.gz CALSWXYRSDKJQU-UGFHNGPFSA-N 1 0 322.361 1.542 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H](N(c2ncccn2)[C@H]2CCC[NH2+]C2)C1 ZINC001169033882 762189486 /nfs/dbraw/zinc/18/94/86/762189486.db2.gz DOIYYWFANOCHEZ-MCIONIFRSA-N 1 0 305.382 1.480 20 5 DDBDRO CCOC(=O)c1nn([C@@H]2CC[C@H](C[N+](=O)[O-])C2)c2c1C[NH2+]CC2 ZINC001169041626 762195976 /nfs/dbraw/zinc/19/59/76/762195976.db2.gz BNRUUASZTMPUMU-WDEREUQCSA-N 1 0 322.365 1.323 20 5 DDBDRO CCOC[C@@H]1C[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)Cc2cnn(C)c21 ZINC001169018949 762199125 /nfs/dbraw/zinc/19/91/25/762199125.db2.gz FROZHUPOLHAYDY-QEJZJMRPSA-N 1 0 322.409 1.801 20 5 DDBDRO CCN1C(=O)CCC12CC[NH+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169018969 762199142 /nfs/dbraw/zinc/19/91/42/762199142.db2.gz FVMGVSFYEZHVLY-KBPBESRZSA-N 1 0 309.410 1.909 20 5 DDBDRO COc1ncc([N+](=O)[O-])cc1NCc1ncn2c1C[NH2+]CCC2 ZINC001169242766 762306925 /nfs/dbraw/zinc/30/69/25/762306925.db2.gz XYQBKRMDNGPPCU-UHFFFAOYSA-N 1 0 318.337 1.300 20 5 DDBDRO O=C(NC[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)C1CC1 ZINC001086288129 761296929 /nfs/dbraw/zinc/29/69/29/761296929.db2.gz HRNPMGZOJJJNHU-MQMHXKEQSA-N 1 0 303.362 1.989 20 5 DDBDRO C[C@@H](Nc1ncc([N+](=O)[O-])cc1C(F)(F)F)[C@@H]1C[NH2+]CCO1 ZINC001170566183 768167068 /nfs/dbraw/zinc/16/70/68/768167068.db2.gz DVMMFALMUKLILM-XCBNKYQSSA-N 1 0 320.271 1.797 20 5 DDBDRO Cc1cnoc1C(=O)NCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001170037106 764284162 /nfs/dbraw/zinc/28/41/62/764284162.db2.gz GZAHDMQHRTZYPY-UHFFFAOYSA-N 1 0 324.362 1.862 20 5 DDBDRO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CN(CCCc2ccsc2)C1 ZINC001042705353 764372857 /nfs/dbraw/zinc/37/28/57/764372857.db2.gz CKBKDQQWXHSMTD-ZIAGYGMSSA-N 1 0 323.418 1.489 20 5 DDBDRO COC(=O)c1c(C)c([N+](=O)[O-])ccc1N[C@@H](C)[C@@H]1C[NH2+]CCO1 ZINC001170574644 768224188 /nfs/dbraw/zinc/22/41/88/768224188.db2.gz NGUWGOQPWWDAIS-GWCFXTLKSA-N 1 0 323.349 1.479 20 5 DDBDRO COC(=O)c1cnc(-n2ccc3c2CC[NH2+]C3)c([N+](=O)[O-])c1 ZINC001157444928 765195546 /nfs/dbraw/zinc/19/55/46/765195546.db2.gz USYYUVLAZMWDBI-UHFFFAOYSA-N 1 0 302.290 1.213 20 5 DDBDRO C=CC(=O)NCC[NH2+][C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170305587 766231305 /nfs/dbraw/zinc/23/13/05/766231305.db2.gz NLQJQVWEDGWLRF-LLVKDONJSA-N 1 0 307.350 1.426 20 5 DDBDRO COc1ccc(C[C@@H](C)[NH2+]CCCn2cncn2)c([N+](=O)[O-])c1 ZINC001170322468 766252245 /nfs/dbraw/zinc/25/22/45/766252245.db2.gz HICSSHHGQKVJIJ-GFCCVEGCSA-N 1 0 319.365 1.806 20 5 DDBDRO Cc1noc(C(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)c1C ZINC001130066447 767217127 /nfs/dbraw/zinc/21/71/27/767217127.db2.gz ZMQFICFJWKEURS-UHFFFAOYSA-N 1 0 324.362 1.781 20 5 DDBDRO O=[N+]([O-])c1nccnc1NCc1ccccc1N1CC[NH2+]CC1 ZINC001171283634 772922767 /nfs/dbraw/zinc/92/27/67/772922767.db2.gz ULWBDZITLFTIMT-UHFFFAOYSA-N 1 0 314.349 1.407 20 5 DDBDRO O=C(C[NH+]1CCCC1)NCCNc1cccc(F)c1[N+](=O)[O-] ZINC001093652772 774952463 /nfs/dbraw/zinc/95/24/63/774952463.db2.gz XPMAXXGHXJMSBB-UHFFFAOYSA-N 1 0 310.329 1.358 20 5 DDBDRO O=C(C[NH+]1CCCC1)NCC1(Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC001110149965 775114827 /nfs/dbraw/zinc/11/48/27/775114827.db2.gz JQTJQFCPMDOQPX-UHFFFAOYSA-N 1 0 318.377 1.751 20 5 DDBDRO C[N@H+](CC(=O)NCCNc1ccc(F)cc1[N+](=O)[O-])C1CCC1 ZINC001094221921 775543818 /nfs/dbraw/zinc/54/38/18/775543818.db2.gz VCGFOWTYGSVCOO-UHFFFAOYSA-N 1 0 324.356 1.746 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH+]1CC3(C1)CS(=O)C3)CC2 ZINC001172903227 776916035 /nfs/dbraw/zinc/91/60/35/776916035.db2.gz FQHDVXUFMACQKD-AWEZNQCLSA-N 1 0 320.414 1.907 20 5 DDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCO[C@@H](C[NH+](C)C)C1 ZINC001173221205 777053120 /nfs/dbraw/zinc/05/31/20/777053120.db2.gz GIQLIJCMEUEEAR-BBRMVZONSA-N 1 0 307.394 1.788 20 5 DDBDRO CC[N@H+](C)CCC(=O)N(C)CCNc1ccc([N+](=O)[O-])cc1 ZINC001101756546 777478466 /nfs/dbraw/zinc/47/84/66/777478466.db2.gz DBJUSJADNWMNRF-UHFFFAOYSA-N 1 0 308.382 1.807 20 5 DDBDRO Cc1c(CC(=O)NC[C@H]2C[NH+]3CCC2CC3)cccc1[N+](=O)[O-] ZINC001179895358 779521423 /nfs/dbraw/zinc/52/14/23/779521423.db2.gz SPZDIUAJGOELOA-HNNXBMFYSA-N 1 0 317.389 1.904 20 5 DDBDRO CC(=O)N1CCC(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CC1 ZINC001119299845 781397809 /nfs/dbraw/zinc/39/78/09/781397809.db2.gz KRUZYGTXBFJIJH-UHFFFAOYSA-N 1 0 321.381 1.343 20 5 DDBDRO Cn1c(C(=O)N[C@@H]2[C@H]3CCC[NH2+][C@@H]3C2(C)C)ccc1[N+](=O)[O-] ZINC001119363622 781420787 /nfs/dbraw/zinc/42/07/87/781420787.db2.gz QTIOBBRUIINADF-TVYUQYBPSA-N 1 0 306.366 1.440 20 5 DDBDRO C[N@@H+]1C[C@@H]2CN(c3c4c(ccc3[N+](=O)[O-])NCC4)C[C@]2(C)C1 ZINC001120065728 781744625 /nfs/dbraw/zinc/74/46/25/781744625.db2.gz JQIMOFFLYBMDEG-BZNIZROVSA-N 1 0 302.378 1.951 20 5 DDBDRO O=C(NC1(C[NH2+]Cc2ccns2)CCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001267838028 839059653 /nfs/dbraw/zinc/05/96/53/839059653.db2.gz QVSVUEVZIJJWOA-VXGBXAGGSA-N 1 0 324.406 1.327 20 5 DDBDRO C[NH2+][C@H](C)CCNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC001326216326 861202577 /nfs/dbraw/zinc/20/25/77/861202577.db2.gz KCFIIJVOSZWPJH-SNVBAGLBSA-N 1 0 301.368 1.012 20 5 DDBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N[C@H]1CCC[C@H]([NH3+])C1 ZINC001154986572 861623325 /nfs/dbraw/zinc/62/33/25/861623325.db2.gz SUGANNQLZPZGIL-UWVGGRQHSA-N 1 0 308.338 1.848 20 5 DDBDRO CCCC(=O)NCC1([NH2+]Cc2c([N+](=O)[O-])ncn2C)CCC1 ZINC001273032063 847816084 /nfs/dbraw/zinc/81/60/84/847816084.db2.gz JJNZEJACWGCEQS-UHFFFAOYSA-N 1 0 309.370 1.257 20 5 DDBDRO CC(C)C[NH2+]CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001327089767 861869480 /nfs/dbraw/zinc/86/94/80/861869480.db2.gz NIDXNGPOEJQXRJ-UHFFFAOYSA-N 1 0 320.393 1.489 20 5 DDBDRO C/C=C(\C)C(=O)N(CC)CC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001273317440 849436213 /nfs/dbraw/zinc/43/62/13/849436213.db2.gz FSVXLWKBLQZSBB-VZUCSPMQSA-N 1 0 309.370 1.233 20 5 DDBDRO CC(C)Oc1nc(N[C@H]2COCCC23C[NH2+]C3)ccc1[N+](=O)[O-] ZINC001155472627 862128321 /nfs/dbraw/zinc/12/83/21/862128321.db2.gz YIPUXNWZHRLBIM-LBPRGKRZSA-N 1 0 322.365 1.567 20 5 DDBDRO Cc1cnc(C[NH3+])n1-c1nc(C2CC2)nc(Cl)c1[N+](=O)[O-] ZINC001169020178 850518310 /nfs/dbraw/zinc/51/83/10/850518310.db2.gz HOMWICXHRYVQPS-UHFFFAOYSA-N 1 0 308.729 1.868 20 5 DDBDRO CCOCCC(=O)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001155643597 862330398 /nfs/dbraw/zinc/33/03/98/862330398.db2.gz FEVCIVOHEQRASU-UHFFFAOYSA-N 1 0 309.366 1.617 20 5 DDBDRO O=C(Cc1cc[nH]n1)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001156081353 862708429 /nfs/dbraw/zinc/70/84/29/862708429.db2.gz FNKRYRQVOFHSAN-UHFFFAOYSA-N 1 0 317.349 1.157 20 5 DDBDRO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001121939128 858640409 /nfs/dbraw/zinc/64/04/09/858640409.db2.gz ZYXSDKHFOCUETM-RBDSIQFVSA-N 1 0 303.362 1.907 20 5 DDBDRO Cc1noc(C)c1C(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001123363881 859196563 /nfs/dbraw/zinc/19/65/63/859196563.db2.gz VMYLZLHJLSSKSV-UHFFFAOYSA-N 1 0 318.333 1.719 20 5 DDBDRO COC(=O)c1ccc(CCOC(=O)C[C@@H](O)C[N+](C)(C)C)cc1 ZINC001224431910 881393803 /nfs/dbraw/zinc/39/38/03/881393803.db2.gz HIAYGJFMNDYAKS-OAHLLOKOSA-N 1 0 324.397 1.016 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)OCCc1ccc2c(c1)CCO2 ZINC001224513416 881424994 /nfs/dbraw/zinc/42/49/94/881424994.db2.gz BVBVWUBHKRNDNG-OAHLLOKOSA-N 1 0 308.398 1.164 20 5 DDBDRO CO[C@@H]1CC[N@H+](CCOCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC001224779575 881531867 /nfs/dbraw/zinc/53/18/67/881531867.db2.gz WERGCTAXRLEFCE-OAHLLOKOSA-N 1 0 310.350 1.711 20 5 DDBDRO CC(C)C(=O)N(CCO)CC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001325980323 861012404 /nfs/dbraw/zinc/01/24/04/861012404.db2.gz NFZNGOQOCBQTMU-UHFFFAOYSA-N 1 0 309.366 1.161 20 5 DDBDRO Cc1cc(-n2c(C)ncc(C[NH3+])c2=N)nc2ccc([N+](=O)[O-])cc12 ZINC001156825444 863370770 /nfs/dbraw/zinc/37/07/70/863370770.db2.gz PCLMQVTWXORZLD-UHFFFAOYSA-N 1 0 324.344 1.884 20 5 DDBDRO CC/C=C(\C)C(=O)NCC1(NCc2c([N+](=O)[O-])ncn2C)CC1 ZINC001277013062 881658231 /nfs/dbraw/zinc/65/82/31/881658231.db2.gz AVNBOXVVOVEORS-VZUCSPMQSA-N 1 0 321.381 1.423 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC2(CCC[N@@H+]2C)CC1 ZINC001152578245 863442665 /nfs/dbraw/zinc/44/26/65/863442665.db2.gz TZFHNVJSCIACQO-UHFFFAOYSA-N 1 0 306.366 1.634 20 5 DDBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N2C[C@H]3CCC[N@@H+](C)[C@H]3C2)n1 ZINC001157260244 863688091 /nfs/dbraw/zinc/68/80/91/863688091.db2.gz INIQPVVXJDNMCV-ZJUUUORDSA-N 1 0 311.773 1.877 20 5 DDBDRO C[N@@H+]1CCC[C@@H]2CN(c3cc([N+](=O)[O-])cc(Cl)[n+]3[O-])C[C@@H]21 ZINC001157271045 863700928 /nfs/dbraw/zinc/70/09/28/863700928.db2.gz HGXSPGPUIWXBTK-KOLCDFICSA-N 1 0 312.757 1.412 20 5 DDBDRO Cc1c(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2CO)cccc1[N+](=O)[O-] ZINC001153776751 864091853 /nfs/dbraw/zinc/09/18/53/864091853.db2.gz FYPRDQKXLMTDLM-QWHCGFSZSA-N 1 0 319.361 1.184 20 5 DDBDRO CC(C)[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC001153801749 864115109 /nfs/dbraw/zinc/11/51/09/864115109.db2.gz BPWGHKOKJYZAMH-GFCCVEGCSA-N 1 0 323.397 1.515 20 5 DDBDRO COc1cccc(C[NH2+]CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1C ZINC001157767056 864117823 /nfs/dbraw/zinc/11/78/23/864117823.db2.gz FVHFNANIPQURMU-ZIAGYGMSSA-N 1 0 321.377 1.265 20 5 DDBDRO COc1cc(C[NH2+]CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])ccc1C ZINC001157767147 864118707 /nfs/dbraw/zinc/11/87/07/864118707.db2.gz IDAVNEKYXMKFMF-ZIAGYGMSSA-N 1 0 321.377 1.265 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2C[NH+]3CCC2CC3)c1 ZINC001158261808 864523593 /nfs/dbraw/zinc/52/35/93/864523593.db2.gz POZOCXRQMZGJCL-LBPRGKRZSA-N 1 0 319.361 1.675 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccccc1-c1cc[nH]n1 ZINC001225365500 881801519 /nfs/dbraw/zinc/80/15/19/881801519.db2.gz BZXXVEJEUQDYJL-GFCCVEGCSA-N 1 0 304.370 1.439 20 5 DDBDRO [NH3+][C@@H]1CN(c2nc3ccccc3cc2[N+](=O)[O-])CC12COC2 ZINC001158765840 864890270 /nfs/dbraw/zinc/89/02/70/864890270.db2.gz LPWXEIQSHIIDBO-CYBMUJFWSA-N 1 0 300.318 1.307 20 5 DDBDRO O=C(CNc1ccccc1[N+](=O)[O-])N1CC[NH2+]CCC12CCC2 ZINC001331391857 865056495 /nfs/dbraw/zinc/05/64/95/865056495.db2.gz ILFPZIFQZLYMAL-UHFFFAOYSA-N 1 0 318.377 1.751 20 5 DDBDRO Cc1c(CC[NH3+])c(=O)[nH]n1-c1ncc([N+](=O)[O-])c2ccccc21 ZINC001159294244 865210765 /nfs/dbraw/zinc/21/07/65/865210765.db2.gz ZYTQOHDNEDRQKA-UHFFFAOYSA-N 1 0 313.317 1.844 20 5 DDBDRO O=c1ccc([C@@H]2OCC[C@H]2[NH2+]CCn2ccc([N+](=O)[O-])n2)c[nH]1 ZINC001331664081 865223449 /nfs/dbraw/zinc/22/34/49/865223449.db2.gz HGZUOIJJHBLTGD-RISCZKNCSA-N 1 0 319.321 1.012 20 5 DDBDRO CN(CC[NH3+])CCNC(F)(F)c1cc([N+](=O)[O-])cnc1Cl ZINC001159439672 865293668 /nfs/dbraw/zinc/29/36/68/865293668.db2.gz WAMYEOFLUWGLCB-UHFFFAOYSA-N 1 0 323.731 1.173 20 5 DDBDRO O=[N+]([O-])c1cc(N[C@H]2C[NH2+]C[C@@H]2CO)c2ncnc(Cl)c2c1 ZINC001159681291 865468083 /nfs/dbraw/zinc/46/80/83/865468083.db2.gz CAEMOBJTGVLJKY-HQJQHLMTSA-N 1 0 323.740 1.184 20 5 DDBDRO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1cc(Cl)cc([N+](=O)[O-])n1 ZINC001159755180 865505884 /nfs/dbraw/zinc/50/58/84/865505884.db2.gz KQEDPUSDWYKQBB-RKDXNWHRSA-N 1 0 314.729 1.206 20 5 DDBDRO CCOC(=O)CN(CC[NH3+])c1nc(Cl)cc(C)c1[N+](=O)[O-] ZINC001159864358 865568857 /nfs/dbraw/zinc/56/88/57/865568857.db2.gz RXSIECMTLDLYEN-UHFFFAOYSA-N 1 0 316.745 1.280 20 5 DDBDRO COC(=O)c1cc(O[C@H](C)C[N+](C)(C)C)cnc1C(=O)OC ZINC001225527751 881888127 /nfs/dbraw/zinc/88/81/27/881888127.db2.gz LEVZCTFRFWYQQO-SNVBAGLBSA-N 1 0 311.358 1.128 20 5 DDBDRO COc1cc(N2c3ccccc3OC[C@@H]2C[NH3+])ncc1[N+](=O)[O-] ZINC001160198640 865723185 /nfs/dbraw/zinc/72/31/85/865723185.db2.gz FPBFHHHXIVAWNR-JTQLQIEISA-N 1 0 316.317 1.856 20 5 DDBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N[C@@H](C[NH3+])C(C)(C)C ZINC001160914427 866183937 /nfs/dbraw/zinc/18/39/37/866183937.db2.gz PIODARQSXJHBQP-NSHDSACASA-N 1 0 310.354 1.952 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)NCC[N@H+]1CCCC[C@H]1C ZINC001333288960 866596288 /nfs/dbraw/zinc/59/62/88/866596288.db2.gz JPHLFNGQKXMZQU-LLVKDONJSA-N 1 0 309.370 1.090 20 5 DDBDRO CC1(C)C[NH2+]C[C@H](CNc2c(Cl)[n+]([O-])ccc2[N+](=O)[O-])O1 ZINC001161954285 867138819 /nfs/dbraw/zinc/13/88/19/867138819.db2.gz RGTZIROBSZOAQZ-MRVPVSSYSA-N 1 0 316.745 1.061 20 5 DDBDRO C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)c3cc([N+](=O)[O-])n[nH]3)C[C@@H]2C1 ZINC001333929369 867163926 /nfs/dbraw/zinc/16/39/26/867163926.db2.gz PVQYAGSAODEEBC-GARJFASQSA-N 1 0 307.354 1.120 20 5 DDBDRO NC(=O)c1nc(N2C[C@H]([NH3+])Cc3ccccc32)ccc1[N+](=O)[O-] ZINC001162841728 867858937 /nfs/dbraw/zinc/85/89/37/867858937.db2.gz NHDPXZNHODIMQC-SNVBAGLBSA-N 1 0 313.317 1.110 20 5 DDBDRO Cc1c(N[C@H]2COCCC23C[NH2+]C3)ccc([N+](=O)[O-])c1[N+](=O)[O-] ZINC001163071340 868055039 /nfs/dbraw/zinc/05/50/39/868055039.db2.gz BPAKNTLZNAYGPW-LBPRGKRZSA-N 1 0 322.321 1.602 20 5 DDBDRO O=[N+]([O-])c1cncc(Cl)c1NCC[C@H]1CCOC12C[NH2+]C2 ZINC001163095882 868089994 /nfs/dbraw/zinc/08/99/94/868089994.db2.gz XXMMJXGXKREACZ-VIFPVBQESA-N 1 0 312.757 1.246 20 5 DDBDRO COc1ccnc(N[C@H]2CCO[C@]3(CC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC001163304314 868330081 /nfs/dbraw/zinc/33/00/81/868330081.db2.gz HOBJXCJTWIJYPH-IINYFYTJSA-N 1 0 308.338 1.321 20 5 DDBDRO Cc1nnc(C[NH3+])n1-c1nc(Cl)nc(Cl)c1[N+](=O)[O-] ZINC001163345651 868379471 /nfs/dbraw/zinc/37/94/71/868379471.db2.gz BOALNFFZHISCEC-UHFFFAOYSA-N 1 0 304.097 1.039 20 5 DDBDRO COc1ncnc(N[C@@H]2CC[N@@H+](C(C)C)C[C@H]2C)c1[N+](=O)[O-] ZINC001163361647 868395242 /nfs/dbraw/zinc/39/52/42/868395242.db2.gz JYHWABWIEFKTKG-GHMZBOCLSA-N 1 0 309.370 1.924 20 5 DDBDRO Cc1ccc2oc(=O)cc(OC(=O)C[C@@H](O)C[N+](C)(C)C)c2c1 ZINC001226157836 882238297 /nfs/dbraw/zinc/23/82/97/882238297.db2.gz KNEGYWXVFPIGQI-GFCCVEGCSA-N 1 0 320.365 1.464 20 5 DDBDRO C[C@@H]1CC[C@@H](C[NH3+])N(c2c(Cl)[n+]([O-])ccc2[N+](=O)[O-])C1 ZINC001164071436 868923666 /nfs/dbraw/zinc/92/36/66/868923666.db2.gz STXAYSSQBBCUFP-BDAKNGLRSA-N 1 0 300.746 1.445 20 5 DDBDRO COc1ccnc(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC001336805333 869155260 /nfs/dbraw/zinc/15/52/60/869155260.db2.gz SOTGEXQDYVBYBY-OAHLLOKOSA-N 1 0 303.318 1.822 20 5 DDBDRO CC(C)(C)CC[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001164494452 869232014 /nfs/dbraw/zinc/23/20/14/869232014.db2.gz KKQJKYSRGQNZQT-CHWSQXEVSA-N 1 0 311.426 1.964 20 5 DDBDRO Nc1cc(N2CCC(C[NH+]3CCOCC3)CC2)ncc1[N+](=O)[O-] ZINC001336982483 869244616 /nfs/dbraw/zinc/24/46/16/869244616.db2.gz FJNCKSNUENRKAN-UHFFFAOYSA-N 1 0 321.381 1.121 20 5 DDBDRO CCN1CCC[C@H]1C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC001336997798 869250390 /nfs/dbraw/zinc/25/03/90/869250390.db2.gz MNKJEBAZDVZZEZ-LSDHHAIUSA-N 1 0 323.393 1.408 20 5 DDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@@H]1C[NH2+]CCC1(F)F ZINC001337112138 869328596 /nfs/dbraw/zinc/32/85/96/869328596.db2.gz GCNPQGULEOGACH-NSHDSACASA-N 1 0 313.304 1.498 20 5 DDBDRO [NH3+][C@H]1CN(C(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)C[C@H]1F ZINC001165121791 869391552 /nfs/dbraw/zinc/39/15/52/869391552.db2.gz WPQZCQVIZJRBQQ-RQJHMYQMSA-N 1 0 310.663 1.674 20 5 DDBDRO COc1nc(C)c([N+](=O)[O-])c(N2CC[N@H+](C(C)C)[C@H](C)C2)n1 ZINC001165199439 869422559 /nfs/dbraw/zinc/42/25/59/869422559.db2.gz VLYNTGDRRGBMHN-SNVBAGLBSA-N 1 0 309.370 1.621 20 5 DDBDRO [NH3+]CC1(F)CCN(c2nc(Cl)nc(Cl)c2[N+](=O)[O-])CC1 ZINC001165263225 869476784 /nfs/dbraw/zinc/47/67/84/869476784.db2.gz TUJDPRYLCCTJAO-UHFFFAOYSA-N 1 0 324.143 1.959 20 5 DDBDRO COC(=O)[C@@H]1C[NH2+]CCN1c1nccc2cc([N+](=O)[O-])ccc21 ZINC001165443366 869606892 /nfs/dbraw/zinc/60/68/92/869606892.db2.gz UDEMJIJBJOECBQ-ZDUSSCGKSA-N 1 0 316.317 1.094 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)CN(C[C@H]1C[C@@]3(CC[NH2+]C3)CO1)C2 ZINC001337823814 869645046 /nfs/dbraw/zinc/64/50/46/869645046.db2.gz FAXIKXRJJSBIHJ-HZPDHXFCSA-N 1 0 303.362 1.679 20 5 DDBDRO N=c1nc([C@H]2CCC[NH2+]2)ccn1-c1cc(Cl)cc([N+](=O)[O-])n1 ZINC001166700763 870167948 /nfs/dbraw/zinc/16/79/48/870167948.db2.gz MKHDNWHTDFFFNM-SECBINFHSA-N 1 0 320.740 1.733 20 5 DDBDRO CN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccns1 ZINC001317591660 871158522 /nfs/dbraw/zinc/15/85/22/871158522.db2.gz IWPDVKNCOAATID-UHFFFAOYSA-N 1 0 320.374 1.913 20 5 DDBDRO Nc1ccc(C(=O)NC[C@H]2C[NH+]3CCC2CC3)cc1[N+](=O)[O-] ZINC001304523706 871221294 /nfs/dbraw/zinc/22/12/94/871221294.db2.gz CECPSASEFLKDJU-LBPRGKRZSA-N 1 0 304.350 1.249 20 5 DDBDRO [NH3+][C@@H]1CN(C(=O)c2cc(F)ccc2[N+](=O)[O-])C[C@H]1C(F)(F)F ZINC001340960373 871443488 /nfs/dbraw/zinc/44/34/88/871443488.db2.gz QHWATWOZPVIYCG-RKDXNWHRSA-N 1 0 321.230 1.696 20 5 DDBDRO COC[C@H](CC[NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-])OC ZINC001308858408 871534467 /nfs/dbraw/zinc/53/44/67/871534467.db2.gz CYQUEUQXVDUQFR-NSHDSACASA-N 1 0 314.338 1.450 20 5 DDBDRO Cc1ccc(C(=O)N2CCC3(CC2)C[NH2+]CCO3)cc1[N+](=O)[O-] ZINC001341323061 871605223 /nfs/dbraw/zinc/60/52/23/871605223.db2.gz IOVUFUZNXXTWJO-UHFFFAOYSA-N 1 0 319.361 1.498 20 5 DDBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001341477793 871673534 /nfs/dbraw/zinc/67/35/34/871673534.db2.gz SBVLELWPCLBBQA-BMWLXYDHSA-N 1 0 319.361 1.181 20 5 DDBDRO CSCC[C@H]([NH3+])CC(=O)NCc1cccc([N+](=O)[O-])c1C ZINC001341858837 871861683 /nfs/dbraw/zinc/86/16/83/871861683.db2.gz UDBPHOWMDXNHLK-LBPRGKRZSA-N 1 0 311.407 1.990 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2COC3(C[NH2+]C3)C2)c1C ZINC001342214986 872074486 /nfs/dbraw/zinc/07/44/86/872074486.db2.gz IQKVAHHSJBJQJJ-NSHDSACASA-N 1 0 305.334 1.072 20 5 DDBDRO Cc1cccc(C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC001342475329 872226560 /nfs/dbraw/zinc/22/65/60/872226560.db2.gz FHWFXWONJAVPDB-NXEZZACHSA-N 1 0 317.267 1.865 20 5 DDBDRO CCC[N@@H+]1CCCC[C@@H]1C(=O)OCCn1cc([N+](=O)[O-])cn1 ZINC001318910735 872341306 /nfs/dbraw/zinc/34/13/06/872341306.db2.gz PGJCBERXCQFKIC-CYBMUJFWSA-N 1 0 310.354 1.599 20 5 DDBDRO CN1CC[NH+](CCCO[C@@H](C[N+](=O)[O-])c2cccnc2)CC1 ZINC001206591220 872459690 /nfs/dbraw/zinc/45/96/90/872459690.db2.gz RCUIEJWSOZTIAU-HNNXBMFYSA-N 1 0 308.382 1.054 20 5 DDBDRO O=[N+]([O-])c1cnc(O[C@H]2CC[C@@H]([NH+]3CCOCC3)CC2)nc1 ZINC001226736044 882620731 /nfs/dbraw/zinc/62/07/31/882620731.db2.gz ZQLDQMUMFZGPFF-BJHJDKERSA-N 1 0 308.338 1.407 20 5 DDBDRO CN(C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001343654467 872704043 /nfs/dbraw/zinc/70/40/43/872704043.db2.gz IUWDZPBTTGAVDM-JYAVWHMHSA-N 1 0 316.361 1.459 20 5 DDBDRO C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)c3n[nH]cc3[N+](=O)[O-])C[C@@H]2C1 ZINC001345233540 873315415 /nfs/dbraw/zinc/31/54/15/873315415.db2.gz GYQSDVGYYZCEDF-GARJFASQSA-N 1 0 307.354 1.120 20 5 DDBDRO Cc1cc(NC(=O)NCCOCC[NH+](C)C)cc([N+](=O)[O-])c1 ZINC001345488754 873421743 /nfs/dbraw/zinc/42/17/43/873421743.db2.gz LLPPUFWZGMQGPK-UHFFFAOYSA-N 1 0 310.354 1.603 20 5 DDBDRO O=C(c1[nH]nc2c1C[NH2+]CC2)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001345780438 873514106 /nfs/dbraw/zinc/51/41/06/873514106.db2.gz CXXUSESYQJJALQ-UHFFFAOYSA-N 1 0 313.317 1.120 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C2CC(N3CCOCC3)C2)cc1 ZINC001346276468 873680071 /nfs/dbraw/zinc/68/00/71/873680071.db2.gz QHEWQSXBIXXIIF-AVVWSFFYSA-N 1 0 321.377 1.081 20 5 DDBDRO C[NH2+]C[C@@H](C)CNC(=O)NC[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001346460897 873762505 /nfs/dbraw/zinc/76/25/05/873762505.db2.gz ATARIOFRCARECF-NEPJUHHUSA-N 1 0 308.382 1.853 20 5 DDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC001348969841 874901830 /nfs/dbraw/zinc/90/18/30/874901830.db2.gz JICKUAJEBJEVGG-IAQYHMDHSA-N 1 0 318.377 1.803 20 5 DDBDRO CC(C)([NH3+])c1noc(CN2Cc3ccc([N+](=O)[O-])cc3C2)n1 ZINC001349389372 875146563 /nfs/dbraw/zinc/14/65/63/875146563.db2.gz LNQCNVQUJBZDLE-UHFFFAOYSA-N 1 0 303.322 1.687 20 5 DDBDRO CC(C)(C(=O)NC[C@@]12CC[N@H+](C1)CCC2)n1cc([N+](=O)[O-])cn1 ZINC001352412599 876734302 /nfs/dbraw/zinc/73/43/02/876734302.db2.gz LBALBFXSMDPDLH-OAHLLOKOSA-N 1 0 321.381 1.129 20 5 DDBDRO C[NH2+]C[C@@H]1CCCCN1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC001353365050 877282131 /nfs/dbraw/zinc/28/21/31/877282131.db2.gz VIQPEFLHCCOFQS-AWEZNQCLSA-N 1 0 320.393 1.921 20 5 DDBDRO Cc1cc(O[C@H]2C[C@H]3C[NH2+]CCN3C2)c(C)c(C)c1[N+](=O)[O-] ZINC001218082141 877390753 /nfs/dbraw/zinc/39/07/53/877390753.db2.gz YVPSQBGJBGEAPU-KBPBESRZSA-N 1 0 305.378 1.945 20 5 DDBDRO O=[N+]([O-])c1nc(Br)ccc1O[C@H]1CCC[NH2+]C1 ZINC001218282295 877442595 /nfs/dbraw/zinc/44/25/95/877442595.db2.gz RMONSKUFGJOCOH-ZETCQYMHSA-N 1 0 302.128 1.883 20 5 DDBDRO [NH3+][C@@H]1CN[C@H](C(=O)Nc2cc3cccnc3c3ncccc23)C1 ZINC001218980181 877851130 /nfs/dbraw/zinc/85/11/30/877851130.db2.gz VQGCPAUGKASTMW-FZMZJTMJSA-N 1 0 307.357 1.411 20 5 DDBDRO [NH3+]C[C@]12CC[C@H]1CCCN2C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC001355338615 878512052 /nfs/dbraw/zinc/51/20/52/878512052.db2.gz GQBAYJUWRQIJEU-MLGOLLRUSA-N 1 0 319.361 1.704 20 5 DDBDRO C[C@@H]1CN(CC[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)CO1 ZINC001356619741 879133959 /nfs/dbraw/zinc/13/39/59/879133959.db2.gz SLQDETIKGXZMQO-WOSRLPQWSA-N 1 0 323.393 1.327 20 5 DDBDRO O=C(COc1ccccc1[N+](=O)[O-])NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC001358204507 880366398 /nfs/dbraw/zinc/36/63/98/880366398.db2.gz WVLWLWHLVUWHAT-GDBMZVCRSA-N 1 0 319.361 1.622 20 5 DDBDRO Cc1ccc(COC(=O)C[C@@H](O)C[N+](C)(C)C)cc1[N+](=O)[O-] ZINC001223224258 880879082 /nfs/dbraw/zinc/87/90/82/880879082.db2.gz JYAMYISDTWMKFX-CYBMUJFWSA-N 1 0 311.358 1.404 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])ccc1CO[C@@H](C)C[N+](C)(C)C ZINC001223448684 880967004 /nfs/dbraw/zinc/96/70/04/880967004.db2.gz QALJHWDFIYZKFX-NSHDSACASA-N 1 0 311.358 1.993 20 5 DDBDRO COC(=O)c1ccc([C@H](C)OC(=O)C[C@@H](O)C[N+](C)(C)C)cc1 ZINC001223747980 881086308 /nfs/dbraw/zinc/08/63/08/881086308.db2.gz JUZLXOIQCYZZCZ-SWLSCSKDSA-N 1 0 324.397 1.535 20 5 DDBDRO COC(=O)c1c(O[C@H]2C[NH+]3CCC2CC3)cccc1[N+](=O)[O-] ZINC001229047426 883788285 /nfs/dbraw/zinc/78/82/85/883788285.db2.gz ZIZALJDFCYPDDW-ZDUSSCGKSA-N 1 0 306.318 1.854 20 5 DDBDRO CC[N@@H+]1CC[C@@H](Oc2n[nH]c(=O)c3ccc([N+](=O)[O-])cc32)C1 ZINC001229365922 883946504 /nfs/dbraw/zinc/94/65/04/883946504.db2.gz YMVNPXQZWFWCEK-SNVBAGLBSA-N 1 0 304.306 1.717 20 5 DDBDRO COc1cc(OC(=O)C[C@@H](O)C[N+](C)(C)C)c(C)cc1C(C)=O ZINC001231126677 885265330 /nfs/dbraw/zinc/26/53/30/885265330.db2.gz GVESCWHFJPJGQB-CYBMUJFWSA-N 1 0 324.397 1.569 20 5 DDBDRO COc1c(Cl)ccc(F)c1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001234325114 887865197 /nfs/dbraw/zinc/86/51/97/887865197.db2.gz QPHHYJDBYBVXLK-SECBINFHSA-N 1 0 320.768 1.850 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC([N@H+]3CC[C@H](F)[C@H](O)C3)CC2)cc1 ZINC001254476032 896455681 /nfs/dbraw/zinc/45/56/81/896455681.db2.gz JRDYLFDMQZAHSL-JKSUJKDBSA-N 1 0 323.368 1.968 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3CC[C@@H](O)[C@@H](F)C3)CC2)cc1 ZINC001254474921 896456299 /nfs/dbraw/zinc/45/62/99/896456299.db2.gz WNBLXZYSFVKJAQ-JKSUJKDBSA-N 1 0 323.368 1.968 20 5 DDBDRO CN1CC(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254469414 896456802 /nfs/dbraw/zinc/45/68/02/896456802.db2.gz MZXFPPPDWWQPDT-UHFFFAOYSA-N 1 0 304.394 1.715 20 5 DDBDRO C[C@]1(CO)CCC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC001254545136 896496354 /nfs/dbraw/zinc/49/63/54/896496354.db2.gz JEBJSZLTNZEBCX-BBRMVZONSA-N 1 0 324.377 1.429 20 5 DDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCN1CC2(COC2)C1 ZINC001254545007 896496385 /nfs/dbraw/zinc/49/63/85/896496385.db2.gz ZLXHLGDGOHZMIN-ZDUSSCGKSA-N 1 0 305.378 1.448 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@]1(C)CCC(=O)NC1=O ZINC001254542489 896496522 /nfs/dbraw/zinc/49/65/22/896496522.db2.gz ODUXEEKOUNJZJD-MEBBXXQBSA-N 1 0 305.334 1.311 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@]1(C)CCS(=O)(=O)C1 ZINC001254541986 896496807 /nfs/dbraw/zinc/49/68/07/896496807.db2.gz KHVZXXDYLMDFPQ-BXUZGUMPSA-N 1 0 312.391 1.693 20 5 DDBDRO CC(=O)N1CCC[C@@H](C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254573994 896507156 /nfs/dbraw/zinc/50/71/56/896507156.db2.gz FDPLAHOICOVEIN-XJKSGUPXSA-N 1 0 317.389 1.910 20 5 DDBDRO O=C1NCC2(CC[NH+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)CC2)N1 ZINC001254609582 896530756 /nfs/dbraw/zinc/53/07/56/896530756.db2.gz XWNGVECXHVAKDS-AWEZNQCLSA-N 1 0 316.361 1.209 20 5 DDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CC[C@@H]2C[N@H+](C)C[C@@H]12 ZINC001262725519 900337231 /nfs/dbraw/zinc/33/72/31/900337231.db2.gz YWPUOKDYXNPLGK-WDBKCZKBSA-N 1 0 318.377 1.707 20 5 DDBDRO CCCC(=O)NC[C@H]1C[C@H]([NH2+]Cc2c([N+](=O)[O-])ncn2C)C1 ZINC001263852996 900768284 /nfs/dbraw/zinc/76/82/84/900768284.db2.gz DAFOZNRNWAJKMI-XYPYZODXSA-N 1 0 309.370 1.113 20 5 DDBDRO CN(CC[NH+](C)C)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000175699417 282092213 /nfs/dbraw/zinc/09/22/13/282092213.db2.gz FXAUAKCCYZPUTG-UHFFFAOYSA-N 1 0 321.786 1.430 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)n1 ZINC000248664419 282097538 /nfs/dbraw/zinc/09/75/38/282097538.db2.gz KYURIMWZMSHPGJ-MNOVXSKESA-N 1 0 307.354 1.120 20 5 DDBDRO C[C@@H]1CC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@H]1CO ZINC000248994357 282125304 /nfs/dbraw/zinc/12/53/04/282125304.db2.gz XTJXPORVIIWHPV-KYOSRNDESA-N 1 0 310.350 1.037 20 5 DDBDRO CO[C@@H]1CCC[C@H]1[NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000451634022 231146212 /nfs/dbraw/zinc/14/62/12/231146212.db2.gz TXHZIBORUCWLHD-QLFBSQMISA-N 1 0 319.361 1.857 20 5 DDBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2CCn1cc([N+](=O)[O-])ccc1=O ZINC000090552016 185302637 /nfs/dbraw/zinc/30/26/37/185302637.db2.gz HNKXJZGFTYHNJB-KGLIPLIRSA-N 1 0 320.393 1.315 20 5 DDBDRO Cc1nn(C)c(N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)c1[N+](=O)[O-] ZINC000301324763 282272301 /nfs/dbraw/zinc/27/23/01/282272301.db2.gz ACWCFPCQNVDJRL-YNEHKIRRSA-N 1 0 305.382 1.557 20 5 DDBDRO C[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](C)c1ccccc1 ZINC000181538581 199313769 /nfs/dbraw/zinc/31/37/69/199313769.db2.gz UXNABOXEBFOIOG-IOASZLSFSA-N 1 0 318.377 1.934 20 5 DDBDRO C=Cc1ccc(CC[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000563881979 303979757 /nfs/dbraw/zinc/97/97/57/303979757.db2.gz OLCHOCUSFSOWCW-MRXNPFEDSA-N 1 0 316.361 1.628 20 5 DDBDRO CCC1(CC)[C@@H]([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)C[C@@H]1OC ZINC000191369350 282390445 /nfs/dbraw/zinc/39/04/45/282390445.db2.gz DWCQPFVBLLHUGS-KBPBESRZSA-N 1 0 323.393 1.940 20 5 DDBDRO C[NH2+][C@@H]1CCCN(c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C1 ZINC000138072973 290812416 /nfs/dbraw/zinc/81/24/16/290812416.db2.gz YPRYHIXEONJFTO-SNVBAGLBSA-N 1 0 313.379 1.187 20 5 DDBDRO Cc1ccc(S(=O)(=O)N[C@@H](C)C[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000319987240 290819044 /nfs/dbraw/zinc/81/90/44/290819044.db2.gz GJPWSKWIPLTLEP-UWVGGRQHSA-N 1 0 301.368 1.307 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000320604128 290820485 /nfs/dbraw/zinc/82/04/85/290820485.db2.gz XLBOBSTUGUNEAL-RKDXNWHRSA-N 1 0 317.367 1.008 20 5 DDBDRO CC(C)(O)C(C)(C)[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000272611868 210010965 /nfs/dbraw/zinc/01/09/65/210010965.db2.gz RCYJKWQAXLEVRR-UHFFFAOYSA-N 1 0 321.377 1.623 20 5 DDBDRO Cc1ccc(C[NH2+]CC2(S(C)(=O)=O)CCC2)cc1[N+](=O)[O-] ZINC000279781601 215142010 /nfs/dbraw/zinc/14/20/10/215142010.db2.gz LHUBHKXXVNNVGA-UHFFFAOYSA-N 1 0 312.391 1.960 20 5 DDBDRO COc1cc(C(=O)N2CC[NH2+][C@@H](C)[C@@H]2C)cc([N+](=O)[O-])c1OC ZINC000277434356 213522750 /nfs/dbraw/zinc/52/27/50/213522750.db2.gz CULVNWUKXWCPQP-UWVGGRQHSA-N 1 0 323.349 1.434 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000358466566 299162509 /nfs/dbraw/zinc/16/25/09/299162509.db2.gz XROBKILXXXNTNF-HNNXBMFYSA-N 1 0 322.365 1.400 20 5 DDBDRO COc1cc(CN2CCC[C@](O)(CO)C2)c([N+](=O)[O-])cc1F ZINC000459633476 233388922 /nfs/dbraw/zinc/38/89/22/233388922.db2.gz MXPKEEVGROSISR-CQSZACIVSA-N 1 0 314.313 1.062 20 5 DDBDRO COCCC[N@H+](C)CCNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000152537146 186083421 /nfs/dbraw/zinc/08/34/21/186083421.db2.gz DSVZRLHBDONWON-RMKNXTFCSA-N 1 0 321.377 1.693 20 5 DDBDRO C[NH+](C)C1(CNC(=O)COc2ccccc2[N+](=O)[O-])CCCC1 ZINC000042762644 352350645 /nfs/dbraw/zinc/35/06/45/352350645.db2.gz AFFIPFJKRIIQON-UHFFFAOYSA-N 1 0 321.377 1.964 20 5 DDBDRO CC(C)(CNC(=O)Cn1cc([N+](=O)[O-])cn1)[NH+]1CCCCC1 ZINC000047954816 352517667 /nfs/dbraw/zinc/51/76/67/352517667.db2.gz ZXBKIYVWEUDMKD-UHFFFAOYSA-N 1 0 309.370 1.172 20 5 DDBDRO C[C@@H](CNC(=O)CCNc1ccccc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000052641422 352621061 /nfs/dbraw/zinc/62/10/61/352621061.db2.gz BXRHUFDQAYFTSS-ZDUSSCGKSA-N 1 0 320.393 1.997 20 5 DDBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000173213437 198196521 /nfs/dbraw/zinc/19/65/21/198196521.db2.gz RHBTUNGJJKYYNF-WFASDCNBSA-N 1 0 305.378 1.936 20 5 DDBDRO CC(C)[N@H+](C)CCCNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000063782732 352924642 /nfs/dbraw/zinc/92/46/42/352924642.db2.gz UJVHJAQYLHQRJF-UHFFFAOYSA-N 1 0 312.345 1.776 20 5 DDBDRO Cc1c(NC(=O)C(=O)N[C@@H](C)CC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000062587150 352900777 /nfs/dbraw/zinc/90/07/77/352900777.db2.gz JMBJPTAOFHRLMA-JTQLQIEISA-N 1 0 322.365 1.298 20 5 DDBDRO CC(=O)NC[C@@H]1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000067413200 353047550 /nfs/dbraw/zinc/04/75/50/353047550.db2.gz GDYCPJAYVACURP-AWEZNQCLSA-N 1 0 321.377 1.822 20 5 DDBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000069485734 353162910 /nfs/dbraw/zinc/16/29/10/353162910.db2.gz DCMQZXFWQYRQAG-GFCCVEGCSA-N 1 0 323.393 1.992 20 5 DDBDRO CCc1n[nH]c(C(=O)NCCC2CC[NH+](CC)CC2)c1[N+](=O)[O-] ZINC000174180901 198302922 /nfs/dbraw/zinc/30/29/22/198302922.db2.gz JNOBYTCIWOLWIJ-UHFFFAOYSA-N 1 0 323.397 1.732 20 5 DDBDRO C[NH+](C)[C@@H]1CCCN(C(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000080491739 353611623 /nfs/dbraw/zinc/61/16/23/353611623.db2.gz HCANTSOJBTXLMY-CQSZACIVSA-N 1 0 320.393 1.873 20 5 DDBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+](C)C[C@H](O)CN1CCOCC1 ZINC000083245272 353708750 /nfs/dbraw/zinc/70/87/50/353708750.db2.gz ZKFPPDTWCDGLCT-KBPBESRZSA-N 1 0 323.393 1.281 20 5 DDBDRO C[NH+](C)[C@H]1CC[C@@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000093291588 353892246 /nfs/dbraw/zinc/89/22/46/353892246.db2.gz OCVLZXSUUMNLOU-OCCSQVGLSA-N 1 0 306.366 1.877 20 5 DDBDRO Cc1ccc(C[N@H+](CCO)CCN2CCOCC2)cc1[N+](=O)[O-] ZINC000092186524 353845980 /nfs/dbraw/zinc/84/59/80/353845980.db2.gz VMBXIZPQXBSGDA-UHFFFAOYSA-N 1 0 323.393 1.030 20 5 DDBDRO C[NH+](C)C[C@@H]1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000129760659 354085497 /nfs/dbraw/zinc/08/54/97/354085497.db2.gz VPOOHMNYFJNRTI-ZDUSSCGKSA-N 1 0 306.366 1.688 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@@H]([NH3+])C[C@H]1C ZINC000228341976 354322568 /nfs/dbraw/zinc/32/25/68/354322568.db2.gz KNVCAPGFEFFBOY-GHMZBOCLSA-N 1 0 313.379 1.404 20 5 DDBDRO CSC1(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCC1 ZINC000235238768 354333308 /nfs/dbraw/zinc/33/33/08/354333308.db2.gz WNAKDUZIYPQTFO-LLVKDONJSA-N 1 0 300.384 1.028 20 5 DDBDRO [NH3+][C@@H]1CCC[C@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000275497645 354412462 /nfs/dbraw/zinc/41/24/62/354412462.db2.gz BQENQROCUHWBCN-NEPJUHHUSA-N 1 0 307.350 1.750 20 5 DDBDRO CNc1ccc(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000322570961 354537389 /nfs/dbraw/zinc/53/73/89/354537389.db2.gz FUMKGRKYHOUMSJ-QWHCGFSZSA-N 1 0 318.377 1.993 20 5 DDBDRO COc1cc(C(=O)N[C@@](C)(C[NH3+])C2CC2)c([N+](=O)[O-])cc1OC ZINC000322705342 354538715 /nfs/dbraw/zinc/53/87/15/354538715.db2.gz MURGXNHGVWRDPP-HNNXBMFYSA-N 1 0 323.349 1.469 20 5 DDBDRO O=[N+]([O-])c1c(N2CC[C@H]3C[NH2+]C[C@H]3CC2)nc2sccn21 ZINC000315195769 354491611 /nfs/dbraw/zinc/49/16/11/354491611.db2.gz LHWNOAAQGOQCGH-AOOOYVTPSA-N 1 0 307.379 1.740 20 5 DDBDRO COC[C@]1(CNC(=O)c2cc(OC)ccc2[N+](=O)[O-])CCC[NH2+]1 ZINC000357255118 291034465 /nfs/dbraw/zinc/03/44/65/291034465.db2.gz FNSNFKCKVOFCTJ-OAHLLOKOSA-N 1 0 323.349 1.102 20 5 DDBDRO C[N@@H+]1CC[C@@]2(CCN(c3cc(N)c([N+](=O)[O-])c(CO)c3)C2)C1 ZINC000589879249 355028755 /nfs/dbraw/zinc/02/87/55/355028755.db2.gz WLZNZBRYIADHQN-OAHLLOKOSA-N 1 0 306.366 1.201 20 5 DDBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000590566928 355115159 /nfs/dbraw/zinc/11/51/59/355115159.db2.gz SVJYMRHYZUMJDY-NOZJJQNGSA-N 1 0 317.349 1.636 20 5 DDBDRO CCOc1cc(C[N@H+](C[C@@H](C)O)[C@H](C)CO)ccc1[N+](=O)[O-] ZINC000276972774 213211229 /nfs/dbraw/zinc/21/12/29/213211229.db2.gz XFELUBQVIIKZMC-VXGBXAGGSA-N 1 0 312.366 1.557 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(CN2C[C@@H]3CC[N@H+](C)[C@@H]3C2)c1 ZINC000590660003 355140136 /nfs/dbraw/zinc/14/01/36/355140136.db2.gz YQQCVPQNYLDXDG-SWLSCSKDSA-N 1 0 319.361 1.517 20 5 DDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000591353344 355296618 /nfs/dbraw/zinc/29/66/18/355296618.db2.gz XHNRKZJBXVIWSW-GXTWGEPZSA-N 1 0 318.377 1.531 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@@H]3CC[NH2+][C@H]3C2)c1 ZINC000591438539 355311067 /nfs/dbraw/zinc/31/10/67/355311067.db2.gz MZAXZQIJROEGEB-JQWIXIFHSA-N 1 0 305.334 1.570 20 5 DDBDRO [NH3+][C@H]1CCCO[C@@H]1C1CCN(c2ncc([N+](=O)[O-])s2)CC1 ZINC000591446042 355313020 /nfs/dbraw/zinc/31/30/20/355313020.db2.gz OCSQIFNDTOTRCG-CMPLNLGQSA-N 1 0 312.395 1.774 20 5 DDBDRO Cc1n[nH]cc1C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000591724891 355371913 /nfs/dbraw/zinc/37/19/13/355371913.db2.gz NBOHNOWXXMVVOB-CYBMUJFWSA-N 1 0 306.322 1.156 20 5 DDBDRO CC1(C)C[NH2+][C@H]1C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000591675190 355359508 /nfs/dbraw/zinc/35/95/08/355359508.db2.gz XYQDKDBHJZRSAH-AWEZNQCLSA-N 1 0 318.377 1.241 20 5 DDBDRO Cn1c(C(=O)Nc2cnc3c(c2)C[NH2+]CC3)ccc1[N+](=O)[O-] ZINC000591681283 355361121 /nfs/dbraw/zinc/36/11/21/355361121.db2.gz ARVKXZVRMSTHFA-UHFFFAOYSA-N 1 0 301.306 1.226 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)n1 ZINC000591984317 355453084 /nfs/dbraw/zinc/45/30/84/355453084.db2.gz DMZGNKXAQIRHOE-LBPRGKRZSA-N 1 0 321.381 1.163 20 5 DDBDRO CC(C)[C@H]1CN(C(=O)CCNc2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000592247903 355546730 /nfs/dbraw/zinc/54/67/30/355546730.db2.gz VPHWVDNEALJXBQ-CQSZACIVSA-N 1 0 320.393 1.853 20 5 DDBDRO Cc1ccc(CN2CN(CC[NH+](C)C)C(=O)[C@H]2C)cc1[N+](=O)[O-] ZINC000592523784 355611942 /nfs/dbraw/zinc/61/19/42/355611942.db2.gz BSYQCWLPIGLTRE-CYBMUJFWSA-N 1 0 320.393 1.455 20 5 DDBDRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1Cc1csc([N+](=O)[O-])c1 ZINC000592523756 355612015 /nfs/dbraw/zinc/61/20/15/355612015.db2.gz ASWXZXBSOQNROH-SNVBAGLBSA-N 1 0 312.395 1.208 20 5 DDBDRO C[C@@H]1CN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@H]1C[NH3+] ZINC000601326081 358497900 /nfs/dbraw/zinc/49/79/00/358497900.db2.gz JGWXBDCVZXZSRA-JMSVASOKSA-N 1 0 318.377 1.227 20 5 DDBDRO C[C@H]1C[C@H](NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000593485965 355900134 /nfs/dbraw/zinc/90/01/34/355900134.db2.gz DRZSJBMUUCYXHG-GXFFZTMASA-N 1 0 309.341 1.875 20 5 DDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+][C@@H](CO)CCF)n1 ZINC000593719454 355975314 /nfs/dbraw/zinc/97/53/14/355975314.db2.gz YMLVWJKKAXCGEZ-IJLUTSLNSA-N 1 0 300.334 1.585 20 5 DDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCCC1(C[NH3+])CC1 ZINC000593717131 355975703 /nfs/dbraw/zinc/97/57/03/355975703.db2.gz VOVBPLXLNFFRDF-UHFFFAOYSA-N 1 0 306.366 1.865 20 5 DDBDRO O=C([C@@H]1CC[C@@H](C2CC2)[NH2+]1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000593907785 356053301 /nfs/dbraw/zinc/05/33/01/356053301.db2.gz VWMMVDJLABJJKN-GJZGRUSLSA-N 1 0 316.361 1.405 20 5 DDBDRO O=C(NCCC1CC[NH2+]CC1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000593918417 356060559 /nfs/dbraw/zinc/06/05/59/356060559.db2.gz CVGGWVNMRRJROK-UHFFFAOYSA-N 1 0 321.333 1.443 20 5 DDBDRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc([N+](=O)[O-])cn1 ZINC000594195392 356135768 /nfs/dbraw/zinc/13/57/68/356135768.db2.gz GKRZYTBDVXILAL-GXTWGEPZSA-N 1 0 304.350 1.737 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000594452635 356222812 /nfs/dbraw/zinc/22/28/12/356222812.db2.gz QGQPQDQORPFTHN-SNVBAGLBSA-N 1 0 305.256 1.831 20 5 DDBDRO CCn1cc(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)nn1 ZINC000595066589 356378349 /nfs/dbraw/zinc/37/83/49/356378349.db2.gz AYGIISWFURAKIJ-QWHCGFSZSA-N 1 0 319.369 1.676 20 5 DDBDRO CC[C@@H]([NH2+]C[C@@]1(OCCO)CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000595077356 356378764 /nfs/dbraw/zinc/37/87/64/356378764.db2.gz HHTNEFFLQFGPPA-CVEARBPZSA-N 1 0 324.377 1.804 20 5 DDBDRO Cc1cc(S(=O)(=O)N2CC[C@@H](C[NH3+])C2)c(C)cc1[N+](=O)[O-] ZINC000595106441 356383293 /nfs/dbraw/zinc/38/32/93/356383293.db2.gz XRCZRWCGNNCMRN-NSHDSACASA-N 1 0 313.379 1.181 20 5 DDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC2CC1(C[NH3+])C2 ZINC000595118186 356385307 /nfs/dbraw/zinc/38/53/07/356385307.db2.gz KKTQVZBVPXQUHE-UHFFFAOYSA-N 1 0 311.363 1.015 20 5 DDBDRO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000595224421 356411466 /nfs/dbraw/zinc/41/14/66/356411466.db2.gz GFXODUBAJSJORQ-FZMZJTMJSA-N 1 0 306.366 1.917 20 5 DDBDRO CC(C)(CO)[NH+]1CCN(Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595373160 356469729 /nfs/dbraw/zinc/46/97/29/356469729.db2.gz XAVNCFWICOFUKY-UHFFFAOYSA-N 1 0 311.357 1.622 20 5 DDBDRO O=[N+]([O-])c1ccc(-c2nnc(C[NH2+][C@@H](CO)C3CCC3)o2)cc1 ZINC000595615072 356577794 /nfs/dbraw/zinc/57/77/94/356577794.db2.gz GBGMOQXQRALVQG-ZDUSSCGKSA-N 1 0 318.333 1.895 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H](CO)C2CCC2)c1 ZINC000595616316 356578884 /nfs/dbraw/zinc/57/88/84/356578884.db2.gz MKCOTCIGDOCUDP-HIFRSBDPSA-N 1 0 310.350 1.085 20 5 DDBDRO CN(C(=O)C[NH2+][C@@H](CO)C1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000595618011 356580016 /nfs/dbraw/zinc/58/00/16/356580016.db2.gz WCAUVVCTYZPQKX-AWEZNQCLSA-N 1 0 307.350 1.308 20 5 DDBDRO C[C@@H]1C[NH+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H](C)C1O ZINC000595748317 356634806 /nfs/dbraw/zinc/63/48/06/356634806.db2.gz FNDKNAFLWDZUBV-BZPMIXESSA-N 1 0 324.377 1.283 20 5 DDBDRO CCOc1cc(C[NH2+]C2(C(N)=O)CCOCC2)ccc1[N+](=O)[O-] ZINC000595729940 356625344 /nfs/dbraw/zinc/62/53/44/356625344.db2.gz XHCDOUSGFXODOW-UHFFFAOYSA-N 1 0 323.349 1.118 20 5 DDBDRO C[C@]12COC[C@@H]1C[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C2 ZINC000595754983 356637545 /nfs/dbraw/zinc/63/75/45/356637545.db2.gz DOMQTFNESKNIKO-BJJXKVORSA-N 1 0 322.361 1.303 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000601347021 358509073 /nfs/dbraw/zinc/50/90/73/358509073.db2.gz FNLVPKKHUFTPJG-PHIMTYICSA-N 1 0 311.363 1.028 20 5 DDBDRO C[NH2+]C[C@@H]1CCCN1C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000237088481 202150073 /nfs/dbraw/zinc/15/00/73/202150073.db2.gz WNOGLFHFPMIFLZ-NSHDSACASA-N 1 0 323.349 1.193 20 5 DDBDRO CC[C@H]([NH2+]C)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000595921090 356705667 /nfs/dbraw/zinc/70/56/67/356705667.db2.gz STYHFNDIBKQPII-LBPRGKRZSA-N 1 0 306.366 1.241 20 5 DDBDRO CCC[C@H]1CN(c2ccc(N)c([N+](=O)[O-])n2)CC[N@@H+]1CCOC ZINC000596177476 356802975 /nfs/dbraw/zinc/80/29/75/356802975.db2.gz LWRWWDDXJOWOTF-LBPRGKRZSA-N 1 0 323.397 1.509 20 5 DDBDRO C[N@@H+]1CCN(CCNc2cc[nH]c(=O)c2[N+](=O)[O-])CC1(C)C ZINC000596221892 356821155 /nfs/dbraw/zinc/82/11/55/356821155.db2.gz GGZZDXJLLDVRST-UHFFFAOYSA-N 1 0 309.370 1.133 20 5 DDBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596230648 356825357 /nfs/dbraw/zinc/82/53/57/356825357.db2.gz BOFPULDAMFBQOU-RISCZKNCSA-N 1 0 318.377 1.757 20 5 DDBDRO C[NH+](C)C1(CNc2ccc([N+](=O)[O-])c(C(N)=O)c2)CCOCC1 ZINC000596128541 356783901 /nfs/dbraw/zinc/78/39/01/356783901.db2.gz MJHGHBANEWAWBK-UHFFFAOYSA-N 1 0 322.365 1.216 20 5 DDBDRO C[C@@H](CCNC(=O)NCCOc1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000596288882 356845946 /nfs/dbraw/zinc/84/59/46/356845946.db2.gz IVNTZICLLSZLEM-LBPRGKRZSA-N 1 0 324.381 1.613 20 5 DDBDRO COc1cc(C(=O)N2CCCC[C@H]2[C@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000237233201 202199012 /nfs/dbraw/zinc/19/90/12/202199012.db2.gz QTJRBHMCBOSVQQ-JQWIXIFHSA-N 1 0 307.350 1.945 20 5 DDBDRO CCCN(CC[NH+](CC)CC)C(=O)c1c([N+](=O)[O-])cnn1C ZINC000130221677 283234664 /nfs/dbraw/zinc/23/46/64/283234664.db2.gz JYKFOFRYXVENLS-UHFFFAOYSA-N 1 0 311.386 1.522 20 5 DDBDRO C[NH+]1CC2(C1)CCN(C(=O)CSc1ccc([N+](=O)[O-])cc1)C2 ZINC000597571951 357232891 /nfs/dbraw/zinc/23/28/91/357232891.db2.gz LZIITGICSOVGIO-UHFFFAOYSA-N 1 0 321.402 1.851 20 5 DDBDRO COc1cccc(C(=O)N2CCC3(C[NH+](C)C3)C2)c1[N+](=O)[O-] ZINC000597572306 357233111 /nfs/dbraw/zinc/23/31/11/357233111.db2.gz OWOIFTGMVGEQJF-UHFFFAOYSA-N 1 0 305.334 1.381 20 5 DDBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000597700542 357290987 /nfs/dbraw/zinc/29/09/87/357290987.db2.gz NFRFUITUFPBINS-CHWSQXEVSA-N 1 0 321.377 1.915 20 5 DDBDRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1ccc([N+](=O)[O-])cc1[O-])C2 ZINC000597710492 357297299 /nfs/dbraw/zinc/29/72/99/357297299.db2.gz NPIOUIKGTAWQHW-INIZCTEOSA-N 1 0 319.361 1.858 20 5 DDBDRO C[C@H](C(=O)N(C)CC1C[NH+](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000598162141 357478487 /nfs/dbraw/zinc/47/84/87/357478487.db2.gz VYVZFZSSSDZLPY-JTQLQIEISA-N 1 0 309.341 1.857 20 5 DDBDRO C[NH+](C)CCC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000598547600 357629330 /nfs/dbraw/zinc/62/93/30/357629330.db2.gz YWBXGGQPKZJKLK-OAHLLOKOSA-N 1 0 321.377 1.778 20 5 DDBDRO COc1cc(C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)cc([N+](=O)[O-])c1C ZINC000598668246 357678164 /nfs/dbraw/zinc/67/81/64/357678164.db2.gz RCOPRGZQYWYCNQ-MLGOLLRUSA-N 1 0 319.361 1.865 20 5 DDBDRO C[C@H]([NH3+])C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CC1 ZINC000178820767 198936668 /nfs/dbraw/zinc/93/66/68/198936668.db2.gz UOCBMGJAABLNGZ-NSHDSACASA-N 1 0 320.393 1.860 20 5 DDBDRO O=C(NC[C@H]1CCC[N@H+](CC2CC2)C1)c1ccc([N+](=O)[O-])[nH]1 ZINC000598559946 357632032 /nfs/dbraw/zinc/63/20/32/357632032.db2.gz JLXRHSBADRQABS-GFCCVEGCSA-N 1 0 306.366 1.775 20 5 DDBDRO O=C(NC[C@H]1CCC[N@H+](CC2CC2)C1)c1ccc([N+](=O)[O-])cn1 ZINC000598560043 357632145 /nfs/dbraw/zinc/63/21/45/357632145.db2.gz JYWDGXRPYVQGBJ-CYBMUJFWSA-N 1 0 318.377 1.842 20 5 DDBDRO CCCc1n[nH]c(C(=O)N2CC[NH2+][C@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000598574512 357637977 /nfs/dbraw/zinc/63/79/77/357637977.db2.gz RHDNQAHQALDEGK-NSHDSACASA-N 1 0 309.370 1.340 20 5 DDBDRO [NH3+][C@]12CCC[C@H]1CN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C2 ZINC000598682137 357684884 /nfs/dbraw/zinc/68/48/84/357684884.db2.gz MDEPJIBVZRUTRE-LRDDRELGSA-N 1 0 318.377 1.737 20 5 DDBDRO Cc1ccc(S(=O)(=O)NC[C@@H]([NH3+])C2CC2)c(C)c1[N+](=O)[O-] ZINC000598716117 357701609 /nfs/dbraw/zinc/70/16/09/357701609.db2.gz XPYSIRLCADKESM-LLVKDONJSA-N 1 0 313.379 1.227 20 5 DDBDRO CC1(C)C[C@H]([NH2+]CCN2CC[C@@H](O)C2)c2cc([N+](=O)[O-])ccc21 ZINC000599086205 357811407 /nfs/dbraw/zinc/81/14/07/357811407.db2.gz ZJDMZVLBZNWJNP-CJNGLKHVSA-N 1 0 319.405 1.973 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H]1COCCN1C ZINC000599004612 357790747 /nfs/dbraw/zinc/79/07/47/357790747.db2.gz UQTQXKQFGABDTL-AWEZNQCLSA-N 1 0 309.366 1.414 20 5 DDBDRO CCOC(=O)C[C@@H](O)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000599353590 357905443 /nfs/dbraw/zinc/90/54/43/357905443.db2.gz JQVZWORFZLATKR-WCQYABFASA-N 1 0 310.350 1.868 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000599780221 358056848 /nfs/dbraw/zinc/05/68/48/358056848.db2.gz UEDOPZDXTLIDAL-LBPRGKRZSA-N 1 0 322.365 1.400 20 5 DDBDRO C[NH2+]CCOCCNC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000599934080 358084693 /nfs/dbraw/zinc/08/46/93/358084693.db2.gz CJQTXMJXHNWHOX-UHFFFAOYSA-N 1 0 324.381 1.015 20 5 DDBDRO C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1ccc([N+](=O)[O-])c([O-])c1)C2 ZINC000180104357 199117790 /nfs/dbraw/zinc/11/77/90/199117790.db2.gz IVOMJZFPMLYDTF-NWDGAFQWSA-N 1 0 305.334 1.609 20 5 DDBDRO O=[N+]([O-])c1cc(F)ccc1-c1cnc(N2CC[NH2+]CC2)nc1 ZINC000600845186 358330545 /nfs/dbraw/zinc/33/05/45/358330545.db2.gz JPKKQVFDJXCOMY-UHFFFAOYSA-N 1 0 303.297 1.601 20 5 DDBDRO O=C(NCC[N@H+]1CC[C@H](O)C1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000600809577 358320919 /nfs/dbraw/zinc/32/09/19/358320919.db2.gz VIEDSHLOXWFURH-LBPRGKRZSA-N 1 0 319.317 1.137 20 5 DDBDRO C[NH2+]C1(CNC(=O)COc2ccc([N+](=O)[O-])c(OC)c2)CCC1 ZINC000600822990 358326322 /nfs/dbraw/zinc/32/63/22/358326322.db2.gz DICOOWVLGVUXQP-UHFFFAOYSA-N 1 0 323.349 1.241 20 5 DDBDRO C[C@@H]1C[C@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000180854361 199219043 /nfs/dbraw/zinc/21/90/43/199219043.db2.gz XSNCBTBHPRGMNV-ZJUUUORDSA-N 1 0 304.350 1.532 20 5 DDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)NCCC[NH+]1CCCCC1 ZINC000180890856 199224487 /nfs/dbraw/zinc/22/44/87/199224487.db2.gz FMJGOKNSRVFIKL-UHFFFAOYSA-N 1 0 306.366 1.783 20 5 DDBDRO CC[NH+]1CCN(CCCNc2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000601104362 358403545 /nfs/dbraw/zinc/40/35/45/358403545.db2.gz UHFDKTITOMXFSR-UHFFFAOYSA-N 1 0 311.361 1.568 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)[C@H]1CCCCN(C)C1=O ZINC000601976240 358762711 /nfs/dbraw/zinc/76/27/11/358762711.db2.gz OVXQFGDAQMUICC-LBPRGKRZSA-N 1 0 309.370 1.042 20 5 DDBDRO CC[N@@H+]1CCC[C@@H]1CNc1ncc(C(=O)OC)cc1[N+](=O)[O-] ZINC000276510831 212927778 /nfs/dbraw/zinc/92/77/78/212927778.db2.gz DTXNBLDIJCIQQA-LLVKDONJSA-N 1 0 308.338 1.673 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CC3CCOCC3)CC2)cn1 ZINC000602530010 359029208 /nfs/dbraw/zinc/02/92/08/359029208.db2.gz RBCVWWXMXDFZBE-UHFFFAOYSA-N 1 0 320.393 1.975 20 5 DDBDRO CCc1ccc(C(=O)N(C)CCOCC[NH2+]C)cc1[N+](=O)[O-] ZINC000602543931 359036463 /nfs/dbraw/zinc/03/64/63/359036463.db2.gz COPRLWSJDZLZLD-UHFFFAOYSA-N 1 0 309.366 1.465 20 5 DDBDRO C[C@@H](CCCO)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602573418 359050398 /nfs/dbraw/zinc/05/03/98/359050398.db2.gz IXJUBPZVTRMJFU-LBPRGKRZSA-N 1 0 308.382 1.709 20 5 DDBDRO COC[C@@]1(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)CCCC[NH2+]1 ZINC000602443407 358980633 /nfs/dbraw/zinc/98/06/33/358980633.db2.gz UWRXEKYCHKYUKD-BLLLJJGKSA-N 1 0 321.377 1.931 20 5 DDBDRO O=[N+]([O-])c1ccc2oc(CN3C[C@@H]4CCC[NH2+][C@@H]4C3)nc2c1 ZINC000602471305 359000417 /nfs/dbraw/zinc/00/04/17/359000417.db2.gz BNWIGDZPIFKHHG-GXFFZTMASA-N 1 0 302.334 1.920 20 5 DDBDRO CC(C)OCC[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602610989 359072351 /nfs/dbraw/zinc/07/23/51/359072351.db2.gz BWRLYNITBHLFIW-UHFFFAOYSA-N 1 0 308.382 1.973 20 5 DDBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@@H]2CCCS(=O)(=O)C2)cc1 ZINC000602666677 359112071 /nfs/dbraw/zinc/11/20/71/359112071.db2.gz NFXVLJXVKLYGRY-ZDUSSCGKSA-N 1 0 312.391 1.552 20 5 DDBDRO C[C@]12C[NH+](Cc3cccc([N+](=O)[O-])c3)C[C@]1(C)C(=O)NC2=O ZINC000602729699 359153226 /nfs/dbraw/zinc/15/32/26/359153226.db2.gz BLYSWXFOZUHBKB-HUUCEWRRSA-N 1 0 303.318 1.079 20 5 DDBDRO C[C@@H]1OCC[C@H]1C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000602792800 359195115 /nfs/dbraw/zinc/19/51/15/359195115.db2.gz COOYBKKAGPOJKV-RWMBFGLXSA-N 1 0 306.366 1.901 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CCN1CC[NH+](C2CCCC2)CC1 ZINC000602764500 359174155 /nfs/dbraw/zinc/17/41/55/359174155.db2.gz XQLFSQPAOWWZTM-UHFFFAOYSA-N 1 0 307.398 1.660 20 5 DDBDRO Cn1cc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@H]2O)c([N+](=O)[O-])n1 ZINC000602837064 359227738 /nfs/dbraw/zinc/22/77/38/359227738.db2.gz SSLCJSSRUCPKKP-MGPQQGTHSA-N 1 0 308.382 1.844 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@]1(CO)CCc2ccccc21 ZINC000602800182 359200557 /nfs/dbraw/zinc/20/05/57/359200557.db2.gz WNJCBAAKODETNA-INIZCTEOSA-N 1 0 316.361 1.523 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000602822145 359216487 /nfs/dbraw/zinc/21/64/87/359216487.db2.gz SBXDMTKMXLQUNQ-OAHLLOKOSA-N 1 0 324.381 1.370 20 5 DDBDRO Cn1cc(C[NH2+][C@H]2CCN(C)[C@H]2c2ccccc2)c([N+](=O)[O-])n1 ZINC000602822938 359217497 /nfs/dbraw/zinc/21/74/97/359217497.db2.gz HJXFEDOHUVNYHR-GJZGRUSLSA-N 1 0 315.377 1.863 20 5 DDBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCO[C@@H](Cn2ccnn2)C1 ZINC000602903564 359284348 /nfs/dbraw/zinc/28/43/48/359284348.db2.gz RFJYVRZZAWRKEY-IUODEOHRSA-N 1 0 317.349 1.648 20 5 DDBDRO C[C@@]12C[NH+](Cc3c(F)cccc3[N+](=O)[O-])C[C@@]1(C)C(=O)NC2=O ZINC000602934744 359304434 /nfs/dbraw/zinc/30/44/34/359304434.db2.gz JHJRYDDKHIYJOY-GJZGRUSLSA-N 1 0 321.308 1.219 20 5 DDBDRO C[NH+](C)C[C@@]1(O)CCCN(Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000602878116 359261318 /nfs/dbraw/zinc/26/13/18/359261318.db2.gz VULBVKMTTMWADV-HNNXBMFYSA-N 1 0 311.357 1.622 20 5 DDBDRO CCCN(C(=O)Nc1c(C)cncc1[N+](=O)[O-])[C@H]1CC[N@H+](C)C1 ZINC000602961593 359325607 /nfs/dbraw/zinc/32/56/07/359325607.db2.gz WJTKGAHDVBRHJL-LBPRGKRZSA-N 1 0 321.381 1.668 20 5 DDBDRO COc1cc(C[N@H+]2C[C@@H](OC)C[C@]2(C)CO)ccc1[N+](=O)[O-] ZINC000602964606 359327444 /nfs/dbraw/zinc/32/74/44/359327444.db2.gz RWDUEEYRCIIWSC-SWLSCSKDSA-N 1 0 310.350 1.575 20 5 DDBDRO CCC1([NH+](C)C)CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000602966680 359330374 /nfs/dbraw/zinc/33/03/74/359330374.db2.gz NURDQZXZALEUAM-UHFFFAOYSA-N 1 0 322.409 1.563 20 5 DDBDRO CCN(C)C(=O)C[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000186809229 200013860 /nfs/dbraw/zinc/01/38/60/200013860.db2.gz SPWASMXBGOOBEQ-NSHDSACASA-N 1 0 322.365 1.380 20 5 DDBDRO CCN(C)C(=O)C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000186819144 200016608 /nfs/dbraw/zinc/01/66/08/200016608.db2.gz XTKIYLVWCGZPOS-AWEZNQCLSA-N 1 0 305.378 1.984 20 5 DDBDRO Cn1cc(CN2C[C@H](C[NH3+])Cc3ccccc32)c([N+](=O)[O-])n1 ZINC000603429660 359634857 /nfs/dbraw/zinc/63/48/57/359634857.db2.gz OIPCVAUNXLRNEO-NSHDSACASA-N 1 0 301.350 1.466 20 5 DDBDRO Cn1cc(CN2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)c([N+](=O)[O-])n1 ZINC000603429021 359635341 /nfs/dbraw/zinc/63/53/41/359635341.db2.gz LBZSJOQUOXGUSR-KGLIPLIRSA-N 1 0 323.397 1.047 20 5 DDBDRO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1CCO ZINC000187688124 200145068 /nfs/dbraw/zinc/14/50/68/200145068.db2.gz LFKFMYYOLJLXNB-LLVKDONJSA-N 1 0 313.785 1.747 20 5 DDBDRO C[N@@H+]1CCC[C@H](NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000604485749 359756453 /nfs/dbraw/zinc/75/64/53/359756453.db2.gz WMMUBKBQKYMSTM-ZDUSSCGKSA-N 1 0 316.361 1.760 20 5 DDBDRO C[N@@H+]1CCC[C@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000604198285 359724821 /nfs/dbraw/zinc/72/48/21/359724821.db2.gz FLIZECBHDHLYLN-JTQLQIEISA-N 1 0 321.333 1.190 20 5 DDBDRO O=[N+]([O-])c1ccc2[nH]c(N3CC[NH+]([C@@H]4CCOC4)CC3)nc2c1 ZINC000618587907 363684077 /nfs/dbraw/zinc/68/40/77/363684077.db2.gz AMYBSPPRYKTZEZ-GFCCVEGCSA-N 1 0 317.349 1.382 20 5 DDBDRO [NH3+]C1(C(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CCCC1 ZINC000237903859 202385239 /nfs/dbraw/zinc/38/52/39/202385239.db2.gz VVWHGCHGGJNCET-LLVKDONJSA-N 1 0 319.365 1.274 20 5 DDBDRO [NH3+]C1CCC(NC(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000237851965 202370194 /nfs/dbraw/zinc/37/01/94/202370194.db2.gz XVGPQJBZEIDPAW-UHFFFAOYSA-N 1 0 306.366 1.783 20 5 DDBDRO [NH3+]CCCCNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000238058365 202431022 /nfs/dbraw/zinc/43/10/22/202431022.db2.gz CSQGQZWOYXPAHV-UHFFFAOYSA-N 1 0 303.322 1.249 20 5 DDBDRO COc1cc(C[NH2+]CCCn2cncn2)c([N+](=O)[O-])cc1O ZINC000608781856 360242112 /nfs/dbraw/zinc/24/21/12/360242112.db2.gz OCGVVWWXBWXNGY-UHFFFAOYSA-N 1 0 307.310 1.080 20 5 DDBDRO CC[N@@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C[C@@H]1CCOC1 ZINC000609631761 360339200 /nfs/dbraw/zinc/33/92/00/360339200.db2.gz VPCPNGQEWWRJNU-ZDUSSCGKSA-N 1 0 321.377 1.916 20 5 DDBDRO COc1ccc(CC(=O)N2CC[N@H+](C)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000609584783 360329203 /nfs/dbraw/zinc/32/92/03/360329203.db2.gz ITLHELYXWFRKQB-LBPRGKRZSA-N 1 0 321.377 1.699 20 5 DDBDRO COc1ccc(CC(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000610208766 360390651 /nfs/dbraw/zinc/39/06/51/360390651.db2.gz KRPRCMCVDQXJMO-AAEUAGOBSA-N 1 0 321.377 1.745 20 5 DDBDRO COc1ccc(C[N@H+](C)CCn2cc([N+](=O)[O-])cn2)cc1OC ZINC000610447494 360438426 /nfs/dbraw/zinc/43/84/26/360438426.db2.gz ODZGYKRHHIDUPP-UHFFFAOYSA-N 1 0 320.349 1.941 20 5 DDBDRO Cc1nccc([C@H]2CCC[N@H+](CCn3ccc([N+](=O)[O-])n3)C2)n1 ZINC000610485030 360447683 /nfs/dbraw/zinc/44/76/83/360447683.db2.gz ZTJODGNTFQBSTG-ZDUSSCGKSA-N 1 0 316.365 1.769 20 5 DDBDRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2ccsc2[N+](=O)[O-])CC1 ZINC000610808456 360541914 /nfs/dbraw/zinc/54/19/14/360541914.db2.gz SOCHJZGXYXZZBC-NSHDSACASA-N 1 0 324.406 1.399 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CC(Cc3ccccc3)C2)c1 ZINC000611178179 360650413 /nfs/dbraw/zinc/65/04/13/360650413.db2.gz WKTLCLOCFDEROT-INIZCTEOSA-N 1 0 316.361 1.327 20 5 DDBDRO CC[N@@H+]1CCN(C(=O)COc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000611087605 360618435 /nfs/dbraw/zinc/61/84/35/360618435.db2.gz YAMJNRRRANMUFK-GFCCVEGCSA-N 1 0 307.350 1.526 20 5 DDBDRO CC[C@@H]1C[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@H]1O ZINC000611287541 360690421 /nfs/dbraw/zinc/69/04/21/360690421.db2.gz HFCOGYMXJSLJBM-ZWNOBZJWSA-N 1 0 308.334 1.569 20 5 DDBDRO CCOc1cc(C(=O)N2CCC[C@@H]([NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000191368184 200681679 /nfs/dbraw/zinc/68/16/79/200681679.db2.gz JLHWILJNKJFXON-SNVBAGLBSA-N 1 0 323.349 1.565 20 5 DDBDRO C[NH+](C)CC1(CNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CCCC1 ZINC000193994719 201159197 /nfs/dbraw/zinc/15/91/97/201159197.db2.gz ABDOGJGNRISBDW-UHFFFAOYSA-N 1 0 322.365 1.547 20 5 DDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]([NH3+])C1CC1 ZINC000194735042 201280717 /nfs/dbraw/zinc/28/07/17/201280717.db2.gz MWFQNVWPSDGSRW-GFCCVEGCSA-N 1 0 313.379 1.173 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC000566209291 304129362 /nfs/dbraw/zinc/12/93/62/304129362.db2.gz RRLQSZLXFSUHNJ-CYBMUJFWSA-N 1 0 321.381 1.179 20 5 DDBDRO [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000566212326 304129776 /nfs/dbraw/zinc/12/97/76/304129776.db2.gz RMYSRHXIUMTABU-CABCVRRESA-N 1 0 319.361 1.563 20 5 DDBDRO C[C@H]1CCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000261731409 203105253 /nfs/dbraw/zinc/10/52/53/203105253.db2.gz HRJJGYYRORBMSB-STQMWFEESA-N 1 0 320.393 1.617 20 5 DDBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC1CC[NH2+]CC1 ZINC000262095813 203197314 /nfs/dbraw/zinc/19/73/14/203197314.db2.gz BLYLYIPFKJBZAT-JTQLQIEISA-N 1 0 309.391 1.944 20 5 DDBDRO C[NH2+]CCC1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000262125264 203205673 /nfs/dbraw/zinc/20/56/73/203205673.db2.gz WDORFCKWKRDBAW-UHFFFAOYSA-N 1 0 309.370 1.030 20 5 DDBDRO [NH3+][C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C[C@H]1c1ccccc1 ZINC000262206855 203230306 /nfs/dbraw/zinc/23/03/06/203230306.db2.gz LFTIIWPDNWGRTP-NWDGAFQWSA-N 1 0 300.318 1.490 20 5 DDBDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)[C@H](C)N1CCOCC1 ZINC000293572032 296150548 /nfs/dbraw/zinc/15/05/48/296150548.db2.gz DNAICQGLVKKJFV-AGIUHOORSA-N 1 0 322.409 1.937 20 5 DDBDRO CS[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C[C@H]1[NH+]1CCCC1 ZINC000274977258 212054284 /nfs/dbraw/zinc/05/42/84/212054284.db2.gz BEJLSWMTYBERAA-VXGBXAGGSA-N 1 0 324.406 1.575 20 5 DDBDRO CCCc1n[nH]c(C(=O)N[C@@H](C)C[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000264612470 204028610 /nfs/dbraw/zinc/02/86/10/204028610.db2.gz PGJKRFZKPASXKK-NSHDSACASA-N 1 0 323.397 1.875 20 5 DDBDRO C[C@H](O)C1CC[NH+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000264762860 204139169 /nfs/dbraw/zinc/13/91/69/204139169.db2.gz YOFSFVUVQPENKP-JTQLQIEISA-N 1 0 307.350 1.287 20 5 DDBDRO C[C@@H](Cn1cccn1)[NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000264846012 204204970 /nfs/dbraw/zinc/20/49/70/204204970.db2.gz IDEXSSPUABKGQA-RYUDHWBXSA-N 1 0 317.349 1.797 20 5 DDBDRO C[C@@H](CC[NH+](C)C)NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000264953496 204299139 /nfs/dbraw/zinc/29/91/39/204299139.db2.gz YJZHXZJBWHCDLV-VIFPVBQESA-N 1 0 305.338 1.541 20 5 DDBDRO CN(C(=O)CN1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000351472928 284329091 /nfs/dbraw/zinc/32/90/91/284329091.db2.gz BWUYMTUJTUHDIH-CQDKDKBSSA-N 1 0 318.377 1.227 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000351476170 284330608 /nfs/dbraw/zinc/33/06/08/284330608.db2.gz JTAHKEJNDTYVTP-IACUBPJLSA-N 1 0 318.377 1.511 20 5 DDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000351478008 284331659 /nfs/dbraw/zinc/33/16/59/284331659.db2.gz OIQCYLRTANVBEA-BVIHXZOGSA-N 1 0 318.377 1.591 20 5 DDBDRO Cc1nn(C)c(C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000288382079 220121831 /nfs/dbraw/zinc/12/18/31/220121831.db2.gz LUXDJURGMBVELM-PWSUYJOCSA-N 1 0 321.381 1.336 20 5 DDBDRO C[NH+](C)[C@@]1(CNC(=O)c2cccc([N+](=O)[O-])c2N)CCSC1 ZINC000267456875 206082424 /nfs/dbraw/zinc/08/24/24/206082424.db2.gz QKMATSHUNLHEBL-CQSZACIVSA-N 1 0 324.406 1.344 20 5 DDBDRO C[C@H]([NH2+]C[C@@H](O)COC[C@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000567123736 304198944 /nfs/dbraw/zinc/19/89/44/304198944.db2.gz ASLNBIVQSVQECH-APHBMKBZSA-N 1 0 324.377 1.802 20 5 DDBDRO Cc1ccc(C)c(S(=O)(=O)NCCC[NH+](C)C)c1[N+](=O)[O-] ZINC000292892564 248784423 /nfs/dbraw/zinc/78/44/23/248784423.db2.gz GATGAARXVCUNSP-UHFFFAOYSA-N 1 0 315.395 1.442 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@](C)(O)C[NH+](C)C)c1 ZINC000336861971 249270073 /nfs/dbraw/zinc/27/00/73/249270073.db2.gz BPLHQBPFEZNNCJ-AWEZNQCLSA-N 1 0 311.338 1.106 20 5 DDBDRO CN(C(=O)c1cccc([N+](=O)[O-])c1N)[C@H]1C[NH+]2CCC1CC2 ZINC000336867690 249274249 /nfs/dbraw/zinc/27/42/49/249274249.db2.gz SRDHCBSIEMXOJQ-ZDUSSCGKSA-N 1 0 304.350 1.343 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H](C)[C@H]1CCOC1 ZINC000337220609 249396198 /nfs/dbraw/zinc/39/61/98/249396198.db2.gz LTVLRFWWEADULH-NEPJUHHUSA-N 1 0 307.350 1.856 20 5 DDBDRO Cc1ccc(C[N@H+]2CC[C@H]3OCCN(C)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000284504883 218055587 /nfs/dbraw/zinc/05/55/87/218055587.db2.gz XXKNHUTVJNGTLR-HZPDHXFCSA-N 1 0 305.378 1.808 20 5 DDBDRO CC[N@H+](CCNC(=O)COc1cccc([N+](=O)[O-])c1)C(C)C ZINC000338768807 250128963 /nfs/dbraw/zinc/12/89/63/250128963.db2.gz XFPPAIRKPXUSDH-UHFFFAOYSA-N 1 0 309.366 1.820 20 5 DDBDRO COCCC[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])n2C)CC1 ZINC000339188258 250334547 /nfs/dbraw/zinc/33/45/47/250334547.db2.gz QJWIIHHEQPJNPM-UHFFFAOYSA-N 1 0 324.381 1.164 20 5 DDBDRO C[NH+](C)CCOc1ccc(NC(=O)c2cc([N+](=O)[O-])n[nH]2)cc1 ZINC000285183034 218323530 /nfs/dbraw/zinc/32/35/30/218323530.db2.gz RKRQTCPKCZHNNI-UHFFFAOYSA-N 1 0 319.321 1.511 20 5 DDBDRO Cc1cccc(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)n1 ZINC000567679078 304233814 /nfs/dbraw/zinc/23/38/14/304233814.db2.gz KBFUREYKKQWYNQ-HNNXBMFYSA-N 1 0 317.345 1.828 20 5 DDBDRO COc1cc(OCC(=O)N2CC[C@H]([NH3+])[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000269196394 207316585 /nfs/dbraw/zinc/31/65/85/207316585.db2.gz ITWVPAPCDDAOOZ-PWSUYJOCSA-N 1 0 323.349 1.178 20 5 DDBDRO O=C(N[C@@H](CO)C[NH+]1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000288669902 220336459 /nfs/dbraw/zinc/33/64/59/220336459.db2.gz ZFCNQZIRMPSUQE-CYBMUJFWSA-N 1 0 307.350 1.171 20 5 DDBDRO [NH3+][C@@H]1CCCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000158311671 197261453 /nfs/dbraw/zinc/26/14/53/197261453.db2.gz SLTAMQGVUCTJND-GFCCVEGCSA-N 1 0 306.366 1.737 20 5 DDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC([NH3+])CC2)cc1OC ZINC000157602674 197201120 /nfs/dbraw/zinc/20/11/20/197201120.db2.gz OCWCCQFTMXUQLU-UHFFFAOYSA-N 1 0 323.349 1.565 20 5 DDBDRO COc1ccc(CN(C)CCNC(=O)C(C)C)cc1[N+](=O)[O-] ZINC000157412352 197185505 /nfs/dbraw/zinc/18/55/05/197185505.db2.gz SMNDWQXYGYLZIF-UHFFFAOYSA-N 1 0 309.366 1.807 20 5 DDBDRO C[NH+](C)C[C@@](C)(O)CNc1nccc2ccc([N+](=O)[O-])cc21 ZINC000413193393 224151775 /nfs/dbraw/zinc/15/17/75/224151775.db2.gz ABYXQHXQIJWMQH-HNNXBMFYSA-N 1 0 304.350 1.868 20 5 DDBDRO COC(=O)c1ccc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])o1 ZINC000289793533 221229641 /nfs/dbraw/zinc/22/96/41/221229641.db2.gz MDXVQEMITYCJBB-UHFFFAOYSA-N 1 0 319.317 1.940 20 5 DDBDRO C[C@@H]1CSC[C@H]1[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000352814322 285318382 /nfs/dbraw/zinc/31/83/82/285318382.db2.gz HIGLWPLXNPIMQH-SCDSUCTJSA-N 1 0 312.391 1.676 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000414655712 224368603 /nfs/dbraw/zinc/36/86/03/224368603.db2.gz LPIVDMMYQUJOQD-GHMZBOCLSA-N 1 0 320.349 1.677 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@H]([NH3+])C[C@H]1C ZINC000569017350 304330974 /nfs/dbraw/zinc/33/09/74/304330974.db2.gz IRDZNEBTSJTOKK-MNOVXSKESA-N 1 0 322.365 1.354 20 5 DDBDRO CCOC(=O)c1cc(C(=O)N(C)[C@H]2CC[NH2+]C2)cc([N+](=O)[O-])c1 ZINC000569691801 304374869 /nfs/dbraw/zinc/37/48/69/304374869.db2.gz RGOBPAMQAGMZMG-LBPRGKRZSA-N 1 0 321.333 1.205 20 5 DDBDRO CC[NH2+]CC1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC1 ZINC000569691427 304375094 /nfs/dbraw/zinc/37/50/94/304375094.db2.gz JMZCMGIGHFUBHV-UHFFFAOYSA-N 1 0 308.338 1.157 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000286103538 292295901 /nfs/dbraw/zinc/29/59/01/292295901.db2.gz IMKWPJREWIEHLL-NHYWBVRUSA-N 1 0 307.350 1.276 20 5 DDBDRO CN(C(=O)C[NH2+][C@H]1C[C@H](O)C1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000570525071 304413535 /nfs/dbraw/zinc/41/35/35/304413535.db2.gz GSFCHURPCLXOIW-STQMWFEESA-N 1 0 307.350 1.307 20 5 DDBDRO COc1ccc(NC(=O)CC[NH+]2CCC(O)CC2)c([N+](=O)[O-])c1 ZINC000026227982 406903626 /nfs/dbraw/zinc/90/36/26/406903626.db2.gz ZKBRZMPWDCDYJK-UHFFFAOYSA-N 1 0 323.349 1.389 20 5 DDBDRO C[NH+](C)C1(CNC(=O)Cc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000074162647 406904150 /nfs/dbraw/zinc/90/41/50/406904150.db2.gz LIBNZBZDKLKNOS-UHFFFAOYSA-N 1 0 321.377 1.364 20 5 DDBDRO Cc1ncsc1C[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075719587 406940698 /nfs/dbraw/zinc/94/06/98/406940698.db2.gz HOIOYHJYNOWGGM-NSHDSACASA-N 1 0 311.367 1.049 20 5 DDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000086468895 407113153 /nfs/dbraw/zinc/11/31/53/407113153.db2.gz YKOOAPQPAYAPLN-UWVGGRQHSA-N 1 0 313.379 1.274 20 5 DDBDRO Cc1ccc([C@@H](C)[NH2+]CCN2C(=O)CCC2=O)cc1[N+](=O)[O-] ZINC000089683477 407144356 /nfs/dbraw/zinc/14/43/56/407144356.db2.gz YUXHDPJFIDJORV-LLVKDONJSA-N 1 0 305.334 1.703 20 5 DDBDRO CC(C)NC(=O)C[N@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000055899608 407208126 /nfs/dbraw/zinc/20/81/26/407208126.db2.gz VCOQKVZTZVQKEN-UHFFFAOYSA-N 1 0 309.366 1.820 20 5 DDBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)CCn1nc(C)c([N+](=O)[O-])c1C ZINC000102486964 407323745 /nfs/dbraw/zinc/32/37/45/407323745.db2.gz IDMTWLYJRKIHBE-CYBMUJFWSA-N 1 0 323.397 1.399 20 5 DDBDRO CC[C@@H](C)[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000067118875 407267394 /nfs/dbraw/zinc/26/73/94/407267394.db2.gz CMEAPEWZXJZZIR-SECBINFHSA-N 1 0 321.424 1.665 20 5 DDBDRO CCOc1ccc(NC(=O)CN(C)[C@@H]2CCOC2)c([N+](=O)[O-])c1 ZINC000106886537 407364647 /nfs/dbraw/zinc/36/46/47/407364647.db2.gz IMKKSGPBUXUCDD-LLVKDONJSA-N 1 0 323.349 1.653 20 5 DDBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2c([N+](=O)[O-])cnn2C)C1 ZINC000125323952 407385514 /nfs/dbraw/zinc/38/55/14/407385514.db2.gz ANQPYLWKAOELEE-LLVKDONJSA-N 1 0 309.370 1.132 20 5 DDBDRO CC[N@@H+]1CC[C@H](CNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000107887208 407381112 /nfs/dbraw/zinc/38/11/12/407381112.db2.gz QGOROFAZHSPSAT-SNVBAGLBSA-N 1 0 317.349 1.543 20 5 DDBDRO CNC(=O)[C@H]1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000111265913 407403959 /nfs/dbraw/zinc/40/39/59/407403959.db2.gz IMYRYRYBWOLBGF-LBPRGKRZSA-N 1 0 307.350 1.432 20 5 DDBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1CC[NH2+]C1 ZINC000127874469 407473391 /nfs/dbraw/zinc/47/33/91/407473391.db2.gz ONIBBACATIGTNM-WCBMZHEXSA-N 1 0 313.741 1.494 20 5 DDBDRO COC(=O)c1cc(NC(=O)CC2CC[NH2+]CC2)cc([N+](=O)[O-])c1 ZINC000151714279 407483042 /nfs/dbraw/zinc/48/30/42/407483042.db2.gz MCGWPYHDXDNBJG-UHFFFAOYSA-N 1 0 321.333 1.710 20 5 DDBDRO CC[C@H]1C[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@H]1O ZINC000270968068 407443842 /nfs/dbraw/zinc/44/38/42/407443842.db2.gz VTOGBQOVBXQCDG-SWLSCSKDSA-N 1 0 321.377 1.935 20 5 DDBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)[NH+]1CCC(C)CC1 ZINC000127662174 407450490 /nfs/dbraw/zinc/45/04/90/407450490.db2.gz IXQWGDPWSYCLJU-NSHDSACASA-N 1 0 322.365 1.546 20 5 DDBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2c([N+](=O)[O-])c(C)nn2C)[C@@H](C)C1 ZINC000265947303 407522435 /nfs/dbraw/zinc/52/24/35/407522435.db2.gz KAYVJKIEIKPNQH-JQWIXIFHSA-N 1 0 323.397 1.439 20 5 DDBDRO C[NH+](C)[C@H]1CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000170860682 407534076 /nfs/dbraw/zinc/53/40/76/407534076.db2.gz SRLMYIJBFLKAIS-ZDUSSCGKSA-N 1 0 318.377 1.945 20 5 DDBDRO C[NH2+][C@H]1CCCN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000261783809 407614270 /nfs/dbraw/zinc/61/42/70/407614270.db2.gz POVRXUULELZDKF-OLZOCXBDSA-N 1 0 320.393 1.914 20 5 DDBDRO C[NH2+][C@@H]1CCCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000261808859 407621477 /nfs/dbraw/zinc/62/14/77/407621477.db2.gz WMIJAUGLUCDSAV-SNVBAGLBSA-N 1 0 321.333 1.190 20 5 DDBDRO CCCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000178929736 407661012 /nfs/dbraw/zinc/66/10/12/407661012.db2.gz TUELSDOHDDYLAM-SECBINFHSA-N 1 0 319.408 1.419 20 5 DDBDRO C[NH2+][C@H](C)Cc1noc(CCn2nc(C)c([N+](=O)[O-])c2C)n1 ZINC000261882123 407654918 /nfs/dbraw/zinc/65/49/18/407654918.db2.gz WMMUJMJLQPTEDD-MRVPVSSYSA-N 1 0 308.342 1.184 20 5 DDBDRO C[C@H]([NH3+])C1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000178922983 407658049 /nfs/dbraw/zinc/65/80/49/407658049.db2.gz SGYKQQWPROWHOT-QMMMGPOBSA-N 1 0 319.408 1.404 20 5 DDBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H](CCO)c1ccccc1 ZINC000266940279 407683405 /nfs/dbraw/zinc/68/34/05/407683405.db2.gz PRMMKQAQSFIAMS-HNNXBMFYSA-N 1 0 304.350 1.847 20 5 DDBDRO Cc1c(CNC(=O)C[C@@H]2CSCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000231856013 407700868 /nfs/dbraw/zinc/70/08/68/407700868.db2.gz FVEJJJVFXNYWHF-GFCCVEGCSA-N 1 0 309.391 1.615 20 5 DDBDRO CC(C)[C@H]([NH3+])CCN(C)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000236623380 407734666 /nfs/dbraw/zinc/73/46/66/407734666.db2.gz FSEFYYMFRVFYBL-GFCCVEGCSA-N 1 0 319.365 1.917 20 5 DDBDRO CC[C@@H](O)C[NH+]1CCN(Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000267066806 407734776 /nfs/dbraw/zinc/73/47/76/407734776.db2.gz UUKYQARTQPIDBJ-CQSZACIVSA-N 1 0 311.357 1.622 20 5 DDBDRO CC(C)C[C@@H](C[NH3+])NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000236632327 407737907 /nfs/dbraw/zinc/73/79/07/407737907.db2.gz FDVWPYHSDMIOAS-JTQLQIEISA-N 1 0 313.329 1.602 20 5 DDBDRO CCc1ccc(C(=O)NC[C@](C)(O)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000153091473 407749607 /nfs/dbraw/zinc/74/96/07/407749607.db2.gz MDNDHTDNABBCJS-HNNXBMFYSA-N 1 0 309.366 1.200 20 5 DDBDRO C[NH+](C)[C@@]1(CNC(=O)c2ccccc2[N+](=O)[O-])CCSC1 ZINC000267141456 407765133 /nfs/dbraw/zinc/76/51/33/407765133.db2.gz UNDUKVWSAVUJNJ-CQSZACIVSA-N 1 0 309.391 1.762 20 5 DDBDRO Cn1cccc1[C@@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000179222553 407757798 /nfs/dbraw/zinc/75/77/98/407757798.db2.gz PFXFMMLYMMWZSJ-HNNXBMFYSA-N 1 0 316.361 1.932 20 5 DDBDRO CCC([NH3+])(CC)CNS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000236853173 407779250 /nfs/dbraw/zinc/77/92/50/407779250.db2.gz PEIBGGOTYIDHLA-UHFFFAOYSA-N 1 0 307.397 1.452 20 5 DDBDRO C[C@H]1C[C@H]([NH3+])CCN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000237588850 407829223 /nfs/dbraw/zinc/82/92/23/407829223.db2.gz YUOZKQZTOGGPCI-NWDGAFQWSA-N 1 0 306.366 1.735 20 5 DDBDRO C[C@H]1CCN(CCOc2ccc([N+](=O)[O-])cc2)[C@H](C(N)=O)C1 ZINC000187418276 407855165 /nfs/dbraw/zinc/85/51/65/407855165.db2.gz NFEFQCMPAUSPEK-FZMZJTMJSA-N 1 0 307.350 1.559 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000237994306 407866361 /nfs/dbraw/zinc/86/63/61/407866361.db2.gz JKLIYPFQOQKUMC-FOSCPWQOSA-N 1 0 305.334 1.373 20 5 DDBDRO O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCCCN1CC[NH2+]CC1 ZINC000238029786 407872889 /nfs/dbraw/zinc/87/28/89/407872889.db2.gz RIEWVIVUIHVOOF-AATRIKPKSA-N 1 0 318.377 1.020 20 5 DDBDRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)c1ccc(F)cc1[N+](=O)[O-] ZINC000134306172 407895580 /nfs/dbraw/zinc/89/55/80/407895580.db2.gz QKULMJMVVSFIEQ-GFCCVEGCSA-N 1 0 307.325 1.948 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000175068283 408043474 /nfs/dbraw/zinc/04/34/74/408043474.db2.gz JYSINGWBFNHPAC-LLVKDONJSA-N 1 0 307.350 1.691 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@@H](CO)c1ccc(F)cc1 ZINC000273079817 408046849 /nfs/dbraw/zinc/04/68/49/408046849.db2.gz HEZGILSZBFQWAM-AWEZNQCLSA-N 1 0 321.308 1.219 20 5 DDBDRO C[C@@H]1CN(CCc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1CC(C)(C)O ZINC000189899942 408132569 /nfs/dbraw/zinc/13/25/69/408132569.db2.gz WGMFJVXYLFZBGQ-CQSZACIVSA-N 1 0 321.421 1.914 20 5 DDBDRO C[C@H]1CC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@@H]1CO ZINC000190422679 408242468 /nfs/dbraw/zinc/24/24/68/408242468.db2.gz AVQZUULGYJRHQY-GXFFZTMASA-N 1 0 318.333 1.848 20 5 DDBDRO C[NH2+]CCCNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000121388433 408198772 /nfs/dbraw/zinc/19/87/72/408198772.db2.gz IDHISGWOAYPQNR-UHFFFAOYSA-N 1 0 303.322 1.120 20 5 DDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C[NH2+]C[C@H]1CCCO1 ZINC000269259502 408235211 /nfs/dbraw/zinc/23/52/11/408235211.db2.gz YRZMDSSUXFVZOC-CYBMUJFWSA-N 1 0 307.350 1.322 20 5 DDBDRO CC[C@](C)([NH2+]CCOc1ccc(OC)cc1[N+](=O)[O-])C(N)=O ZINC000133427803 162058997 /nfs/dbraw/zinc/05/89/97/162058997.db2.gz XDASDJZIHYEIIG-AWEZNQCLSA-N 1 0 311.338 1.226 20 5 DDBDRO C[C@@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@H]1CCCO1 ZINC000183142334 408337176 /nfs/dbraw/zinc/33/71/76/408337176.db2.gz HWPRLAGSQXNNNQ-IAQYHMDHSA-N 1 0 319.361 1.641 20 5 DDBDRO O=C(C[C@@H]1CCC[NH2+]1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000169192010 162183507 /nfs/dbraw/zinc/18/35/07/162183507.db2.gz BZABNTIXXFIDGX-NWDGAFQWSA-N 1 0 319.365 1.145 20 5 DDBDRO CC[N@@H+]1CCC[C@H](NC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000171100292 162206472 /nfs/dbraw/zinc/20/64/72/162206472.db2.gz YDSBMTBOJSVGAL-ZDUSSCGKSA-N 1 0 323.397 1.399 20 5 DDBDRO Nc1c(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)cc(F)cc1[N+](=O)[O-] ZINC000171439598 162217311 /nfs/dbraw/zinc/21/73/11/162217311.db2.gz NLVWVVKQMPHAJZ-NSHDSACASA-N 1 0 322.340 1.626 20 5 DDBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000247285275 408444208 /nfs/dbraw/zinc/44/42/08/408444208.db2.gz GDPPBWZYJCQJLZ-GXTWGEPZSA-N 1 0 320.393 1.805 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)NC2CC[NH+](C(C)C)CC2)n1 ZINC000191759225 408486054 /nfs/dbraw/zinc/48/60/54/408486054.db2.gz ZTUBMKGLZVMOLS-UHFFFAOYSA-N 1 0 309.370 1.414 20 5 DDBDRO C[NH+](C)CCc1ccc(Nc2ncc([N+](=O)[O-])c(N)n2)cc1 ZINC000264500033 408514088 /nfs/dbraw/zinc/51/40/88/408514088.db2.gz VGTOSFSVJIFDIZ-UHFFFAOYSA-N 1 0 302.338 1.815 20 5 DDBDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000176891803 408466087 /nfs/dbraw/zinc/46/60/87/408466087.db2.gz HUEAJZKNELKRIA-ZDUSSCGKSA-N 1 0 323.393 1.990 20 5 DDBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)Nc3ccncc3[N+](=O)[O-])CC[C@H]21 ZINC000248406086 408560401 /nfs/dbraw/zinc/56/04/01/408560401.db2.gz SAYDBMBTINCZTD-WCQYABFASA-N 1 0 319.365 1.938 20 5 DDBDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000177507479 408641112 /nfs/dbraw/zinc/64/11/12/408641112.db2.gz ZTPRUXFADNMRPW-QWHCGFSZSA-N 1 0 321.377 1.963 20 5 DDBDRO Nc1nc(N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)ncc1[N+](=O)[O-] ZINC000161926268 408652929 /nfs/dbraw/zinc/65/29/29/408652929.db2.gz OJQKNFJRHJVVPE-PWSUYJOCSA-N 1 0 318.381 1.420 20 5 DDBDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)c2[nH]ncc2[N+](=O)[O-])C1 ZINC000162614503 408719365 /nfs/dbraw/zinc/71/93/65/408719365.db2.gz VQSOVEMHNMHAQT-LLVKDONJSA-N 1 0 309.370 1.416 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000249545168 408738777 /nfs/dbraw/zinc/73/87/77/408738777.db2.gz GAVVBQOOGJOHDK-KBPBESRZSA-N 1 0 307.394 1.963 20 5 DDBDRO C[C@@H](O)C[NH+]1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000275856845 408700086 /nfs/dbraw/zinc/70/00/86/408700086.db2.gz SOTFEUSOHWBREF-GFCCVEGCSA-N 1 0 316.361 1.646 20 5 DDBDRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)C[C@@H]12 ZINC000185130862 408765321 /nfs/dbraw/zinc/76/53/21/408765321.db2.gz NBERQTNIEKNCIX-XXILOJSOSA-N 1 0 315.333 1.280 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCCC[C@H]2CCO)c1 ZINC000250046728 408773686 /nfs/dbraw/zinc/77/36/86/408773686.db2.gz CXIGFPVFGCSJGP-ZFWWWQNUSA-N 1 0 324.377 1.571 20 5 DDBDRO O=c1nc(C2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)[nH][nH]1 ZINC000280939547 408863120 /nfs/dbraw/zinc/86/31/20/408863120.db2.gz HTHIVOQEBHESSW-UHFFFAOYSA-N 1 0 303.322 1.386 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000277401441 408934398 /nfs/dbraw/zinc/93/43/98/408934398.db2.gz GZEQCWVCSKVQFP-LLVKDONJSA-N 1 0 307.350 1.627 20 5 DDBDRO C[C@@H]1COCC[C@H]1[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000277496506 408951927 /nfs/dbraw/zinc/95/19/27/408951927.db2.gz PDOQQJNLQUSEAL-BXUZGUMPSA-N 1 0 319.361 1.499 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000277552488 408963720 /nfs/dbraw/zinc/96/37/20/408963720.db2.gz JANSLHDXRLEDJL-UHFFFAOYSA-N 1 0 307.350 1.770 20 5 DDBDRO O=C(CC[N@H+]1CCCC[C@@H]1CO)Nc1ccccc1[N+](=O)[O-] ZINC000282193598 409007987 /nfs/dbraw/zinc/00/79/87/409007987.db2.gz BQTMJDQOCNJXHS-GFCCVEGCSA-N 1 0 307.350 1.770 20 5 DDBDRO CC(C)([NH2+]C[C@@H]1CCS(=O)(=O)C1)c1ccccc1[N+](=O)[O-] ZINC000292245439 409008879 /nfs/dbraw/zinc/00/88/79/409008879.db2.gz XFEPNIJEGRHLEC-NSHDSACASA-N 1 0 312.391 1.854 20 5 DDBDRO CC[C@H](NC(=O)[C@H]([NH3+])CCC(=O)OC)c1cccc([N+](=O)[O-])c1 ZINC000288830870 409185271 /nfs/dbraw/zinc/18/52/71/409185271.db2.gz UZVWDRFEWQFCIA-OLZOCXBDSA-N 1 0 323.349 1.443 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000279146950 409157812 /nfs/dbraw/zinc/15/78/12/409157812.db2.gz YZIIFWDZYAYXMB-UHFFFAOYSA-N 1 0 321.381 1.090 20 5 DDBDRO C[C@H]([NH2+]C[C@@H]1CN(C)CCN1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293668333 409158299 /nfs/dbraw/zinc/15/82/99/409158299.db2.gz JPMLFWIXVHELFN-WCQYABFASA-N 1 0 307.398 1.073 20 5 DDBDRO C[N@H+]1C[C@H]2CN(C(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)C[C@H]2C1 ZINC000279186470 409165935 /nfs/dbraw/zinc/16/59/35/409165935.db2.gz JHOHQMYMDWVGGB-BETUJISGSA-N 1 0 317.389 1.892 20 5 DDBDRO Cc1nc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000283517297 409169654 /nfs/dbraw/zinc/16/96/54/409169654.db2.gz MUXHIEQKMIUMMO-AWEZNQCLSA-N 1 0 320.393 1.847 20 5 DDBDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)C2)C1 ZINC000293807807 409183749 /nfs/dbraw/zinc/18/37/49/409183749.db2.gz AMAJZJICWOGWFQ-HNNXBMFYSA-N 1 0 320.349 1.253 20 5 DDBDRO C[C@H]([NH2+]CCN1CCOC(C)(C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293893571 409202011 /nfs/dbraw/zinc/20/20/11/409202011.db2.gz WACVSYOIXGVUJI-LBPRGKRZSA-N 1 0 322.409 1.938 20 5 DDBDRO C[C@H]([N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-])C(C)(C)O ZINC000295223016 409383538 /nfs/dbraw/zinc/38/35/38/409383538.db2.gz VVKRZAWYDIXMDI-NWDGAFQWSA-N 1 0 312.366 1.426 20 5 DDBDRO CC1(C)[C@H]([NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H]2CCO[C@@H]21 ZINC000296177547 409454374 /nfs/dbraw/zinc/45/43/74/409454374.db2.gz LFUOTXCCEZNVNU-YUTCNCBUSA-N 1 0 319.361 1.597 20 5 DDBDRO COCC(=O)N1CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000315358680 164019320 /nfs/dbraw/zinc/01/93/20/164019320.db2.gz BMEBGYIESUQEHP-UHFFFAOYSA-N 1 0 307.350 1.322 20 5 DDBDRO O=C(NCC[NH+]1CCC(O)CC1)Nc1cccc([N+](=O)[O-])c1 ZINC000296230968 409471160 /nfs/dbraw/zinc/47/11/60/409471160.db2.gz GIEZRBXYCZTPJM-UHFFFAOYSA-N 1 0 308.338 1.173 20 5 DDBDRO C[C@@H](C[NH+]1CCCCCC1)NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000331471625 409545400 /nfs/dbraw/zinc/54/54/00/409545400.db2.gz IEVPSUBHIXFSDH-NSHDSACASA-N 1 0 309.370 1.323 20 5 DDBDRO C[C@@H](CC(N)=O)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000344905900 409553011 /nfs/dbraw/zinc/55/30/11/409553011.db2.gz XGMWZNDEWNTLAN-ZETCQYMHSA-N 1 0 303.265 1.550 20 5 DDBDRO CCOc1cc(N(C)C2CC[NH+](CCO)CC2)ccc1[N+](=O)[O-] ZINC000356727528 409554578 /nfs/dbraw/zinc/55/45/78/409554578.db2.gz DHBAOBPSSUJNHT-UHFFFAOYSA-N 1 0 323.393 1.886 20 5 DDBDRO CCc1ccc(C[N@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000304371957 409615974 /nfs/dbraw/zinc/61/59/74/409615974.db2.gz WICHQQOBOBVPNV-INIZCTEOSA-N 1 0 318.377 1.847 20 5 DDBDRO Cc1cnn(CC[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000331688643 409769776 /nfs/dbraw/zinc/76/97/76/409769776.db2.gz WFFVLBJKQOAZTK-UHFFFAOYSA-N 1 0 304.354 1.633 20 5 DDBDRO COc1ccc(NC(=O)[C@H](C)N2CCC[C@@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000346090920 409774354 /nfs/dbraw/zinc/77/43/54/409774354.db2.gz LEFCTYHUVDSRFV-WDEREUQCSA-N 1 0 322.365 1.354 20 5 DDBDRO COC(=O)Cc1ccc(NC[C@@H]2CC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC000297192644 409845675 /nfs/dbraw/zinc/84/56/75/409845675.db2.gz QTVQEBQRQBCNKP-LBPRGKRZSA-N 1 0 307.350 1.674 20 5 DDBDRO [NH3+]C[C@H]1CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCCO1 ZINC000313355920 409806035 /nfs/dbraw/zinc/80/60/35/409806035.db2.gz NYHOSVVZFUPCLZ-JTQLQIEISA-N 1 0 313.741 1.438 20 5 DDBDRO [NH3+]C[C@@H]1CN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000313372745 409808234 /nfs/dbraw/zinc/80/82/34/409808234.db2.gz INOUMJHRWYDPLS-HJHHMULASA-N 1 0 305.334 1.184 20 5 DDBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])nn2C)C[C@@H]1C ZINC000357049851 409820405 /nfs/dbraw/zinc/82/04/05/409820405.db2.gz HOLQMOAPOWWGLM-WDEREUQCSA-N 1 0 309.370 1.273 20 5 DDBDRO COCC[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000342695698 409820791 /nfs/dbraw/zinc/82/07/91/409820791.db2.gz PTEULVODKBKSNJ-CYBMUJFWSA-N 1 0 310.350 1.445 20 5 DDBDRO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000297731374 409974648 /nfs/dbraw/zinc/97/46/48/409974648.db2.gz CABWOBLFUNAHPE-LLVKDONJSA-N 1 0 323.349 1.389 20 5 DDBDRO Cc1n[nH]c(C(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000354664326 410002126 /nfs/dbraw/zinc/00/21/26/410002126.db2.gz QLWMGJWPHVGUCC-UWVGGRQHSA-N 1 0 309.370 1.619 20 5 DDBDRO CC[N@H+](C)CCNC(=O)C(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000298035778 410086133 /nfs/dbraw/zinc/08/61/33/410086133.db2.gz GBDJBJURJHKAIN-UHFFFAOYSA-N 1 0 322.365 1.218 20 5 DDBDRO CC(C)C[N@@H+]1CC[C@H](CNc2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000357539614 410091092 /nfs/dbraw/zinc/09/10/92/410091092.db2.gz SPUCXKIPEOSMCA-LLVKDONJSA-N 1 0 321.381 1.479 20 5 DDBDRO C[NH+](C)Cc1ccc(CNC(=O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000192774788 306726177 /nfs/dbraw/zinc/72/61/77/306726177.db2.gz FNZUJHCJOWNPJE-UHFFFAOYSA-N 1 0 317.349 1.169 20 5 DDBDRO C[C@H]1CC[C@@H]([N@H+](CCO)CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000351635839 410125083 /nfs/dbraw/zinc/12/50/83/410125083.db2.gz QKRIXZNWIIQUOB-QWHCGFSZSA-N 1 0 309.366 1.239 20 5 DDBDRO COC(=O)c1cnc(N[C@H]2CCC[N@H+](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000357682296 410186281 /nfs/dbraw/zinc/18/62/81/410186281.db2.gz KERITXAMEGWMQK-KOLCDFICSA-N 1 0 308.338 1.671 20 5 DDBDRO COC(=O)c1cnc(NC[C@@H](C2CC2)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000357706893 410199890 /nfs/dbraw/zinc/19/98/90/410199890.db2.gz LKCITJVOBKENJV-LBPRGKRZSA-N 1 0 308.338 1.529 20 5 DDBDRO COC(=O)COc1ccc(C[NH2+]CC[C@@H](C)F)cc1[N+](=O)[O-] ZINC000339498033 410236148 /nfs/dbraw/zinc/23/61/48/410236148.db2.gz XKLLZRWXFDPWBX-SNVBAGLBSA-N 1 0 314.313 1.984 20 5 DDBDRO COC(=O)COc1ccc(C[N@@H+]2C[C@@H](O)C[C@H]2C)cc1[N+](=O)[O-] ZINC000355043807 410262423 /nfs/dbraw/zinc/26/24/23/410262423.db2.gz SNXIWNUJOQSTQZ-PWSUYJOCSA-N 1 0 324.333 1.102 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000347100133 410341874 /nfs/dbraw/zinc/34/18/74/410341874.db2.gz UKTPWSWRMGRYMK-SNVBAGLBSA-N 1 0 323.378 1.423 20 5 DDBDRO CN(C(=O)Cc1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000347010714 410308446 /nfs/dbraw/zinc/30/84/46/410308446.db2.gz HIHHMBGAUOULKK-HNNXBMFYSA-N 1 0 303.362 1.832 20 5 DDBDRO C[C@@H](CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)[NH+](C)C ZINC000298628358 410319688 /nfs/dbraw/zinc/31/96/88/410319688.db2.gz UBSKFTCEOADFDF-NSHDSACASA-N 1 0 317.349 1.460 20 5 DDBDRO C[C@H](CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)[NH+](C)C ZINC000298628355 410321109 /nfs/dbraw/zinc/32/11/09/410321109.db2.gz UBSKFTCEOADFDF-LLVKDONJSA-N 1 0 317.349 1.460 20 5 DDBDRO C[C@@H]1C[N@H+](CCCNC(=O)c2cc([N+](=O)[O-])c[nH]2)CCCO1 ZINC000347187229 410378554 /nfs/dbraw/zinc/37/85/54/410378554.db2.gz KVJMEMUEHODSKM-LLVKDONJSA-N 1 0 310.354 1.154 20 5 DDBDRO C[C@H]1[C@H](NC(=O)COc2cccc([N+](=O)[O-])c2)CCC[N@@H+]1C ZINC000343441164 410454789 /nfs/dbraw/zinc/45/47/89/410454789.db2.gz BXNVMZSQHMQHPT-SMDDNHRTSA-N 1 0 307.350 1.573 20 5 DDBDRO C[C@@H]1[C@@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])CCC[N@@H+]1C ZINC000343451720 410463907 /nfs/dbraw/zinc/46/39/07/410463907.db2.gz OLEBVOQRUXOEFW-OLZOCXBDSA-N 1 0 321.377 1.963 20 5 DDBDRO C[C@@]12CCC[N@@H+]1C[C@H](c1noc(-c3cc([N+](=O)[O-])c[nH]3)n1)OC2 ZINC000347332779 410479356 /nfs/dbraw/zinc/47/93/56/410479356.db2.gz IGYRQWBFOHNGPN-RISCZKNCSA-N 1 0 319.321 1.899 20 5 DDBDRO CC[C@@H](C)[N@H+](CCO)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000347480431 410576282 /nfs/dbraw/zinc/57/62/82/410576282.db2.gz RCPNUUPTIDFHAB-CHWSQXEVSA-N 1 0 312.366 1.427 20 5 DDBDRO C[NH+](C)C(C)(C)CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000301065946 410650119 /nfs/dbraw/zinc/65/01/19/410650119.db2.gz ISUKSJQFPUCODA-UHFFFAOYSA-N 1 0 305.338 1.996 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH+]1CC2(C1)CCOCC2 ZINC000353023951 410741994 /nfs/dbraw/zinc/74/19/94/410741994.db2.gz HUWYGYMGIRBCPK-ZDUSSCGKSA-N 1 0 322.361 1.447 20 5 DDBDRO CCC[N@@H+]1CCCN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000301256056 410688042 /nfs/dbraw/zinc/68/80/42/410688042.db2.gz FOAVMABJQHIAHM-UHFFFAOYSA-N 1 0 307.354 1.011 20 5 DDBDRO C[C@H]1[C@H](CO)CC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337478269 410814983 /nfs/dbraw/zinc/81/49/83/410814983.db2.gz UFCUVYKRIREALX-RYUDHWBXSA-N 1 0 307.350 1.626 20 5 DDBDRO Cc1nn(C)c(NC2CC[NH+]([C@@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000301729363 410784331 /nfs/dbraw/zinc/78/43/31/410784331.db2.gz RPNSDPDSOKNYOD-GFCCVEGCSA-N 1 0 309.370 1.302 20 5 DDBDRO Cc1ccc(C[N@@H+](C)C2CCN(CCO)CC2)cc1[N+](=O)[O-] ZINC000353361084 410941404 /nfs/dbraw/zinc/94/14/04/410941404.db2.gz PWIOGMYFFWAGER-UHFFFAOYSA-N 1 0 307.394 1.792 20 5 DDBDRO CC(C)[C@@H]1CN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000331125792 410964239 /nfs/dbraw/zinc/96/42/39/410964239.db2.gz HQRADMAHUDFHLH-HNNXBMFYSA-N 1 0 321.377 1.772 20 5 DDBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](CC3(O)CCCC3)C2)nc1 ZINC000331420066 411080283 /nfs/dbraw/zinc/08/02/83/411080283.db2.gz KTPOLQGHQZDGFG-LBPRGKRZSA-N 1 0 306.366 1.781 20 5 DDBDRO COC[C@H]1C[NH2+]CCN1C(=O)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC001120552196 782020085 /nfs/dbraw/zinc/02/00/85/782020085.db2.gz ILERUFVSGSWKIN-CYBMUJFWSA-N 1 0 322.365 1.033 20 5 DDBDRO CNc1ccc(C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000580644183 422945917 /nfs/dbraw/zinc/94/59/17/422945917.db2.gz NPLMUFDSGGWHIR-JQWIXIFHSA-N 1 0 306.366 1.836 20 5 DDBDRO COCCC[N@H+](C)CCNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000134407463 196387336 /nfs/dbraw/zinc/38/73/36/196387336.db2.gz BPWDJWDWVYRILD-UHFFFAOYSA-N 1 0 313.329 1.432 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC1CCC([NH3+])CC1 ZINC000417177096 225233862 /nfs/dbraw/zinc/23/38/62/225233862.db2.gz CPGQUEXVUNEDKG-UHFFFAOYSA-N 1 0 322.365 1.673 20 5 DDBDRO C[C@@H](CO)[C@@H](C)[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000295726221 225168066 /nfs/dbraw/zinc/16/80/66/225168066.db2.gz LOJZTZIVEOIQLD-WDEREUQCSA-N 1 0 307.350 1.090 20 5 DDBDRO [NH3+][C@H]1CCC[C@@H](NC(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000417227135 225253982 /nfs/dbraw/zinc/25/39/82/225253982.db2.gz LIUAORLTORCQDJ-QWHCGFSZSA-N 1 0 306.366 1.706 20 5 DDBDRO Cc1ccc(S(=O)(=O)N(C)[C@H](C[NH3+])C2CC2)c([N+](=O)[O-])c1 ZINC000359998635 306970128 /nfs/dbraw/zinc/97/01/28/306970128.db2.gz FIYXLQWJPOBYCT-GFCCVEGCSA-N 1 0 313.379 1.261 20 5 DDBDRO O=C(NCCC[C@H]1CCC[NH2+]1)NCCc1cccc([N+](=O)[O-])c1 ZINC000417945193 225517589 /nfs/dbraw/zinc/51/75/89/225517589.db2.gz QGXDYWUASJLNPE-CQSZACIVSA-N 1 0 320.393 1.969 20 5 DDBDRO CCOc1ccc(C(=O)NC2(C)CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000193398828 222154061 /nfs/dbraw/zinc/15/40/61/222154061.db2.gz NHXCPAQFZHJUEE-UHFFFAOYSA-N 1 0 307.350 1.865 20 5 DDBDRO O=C([C@@H]1C[C@@H]1[N+](=O)[O-])N1CCC[C@H]([NH2+]Cc2ccccc2)C1 ZINC000361342569 418629829 /nfs/dbraw/zinc/62/98/29/418629829.db2.gz NLRPSRQTIDVRPF-ZNMIVQPWSA-N 1 0 303.362 1.432 20 5 DDBDRO C[C@H]1OCC[C@@H]1[N@H+](CCO)CCOc1ccccc1[N+](=O)[O-] ZINC000361586783 418687905 /nfs/dbraw/zinc/68/79/05/418687905.db2.gz UJOCKURRZLRCRE-OLZOCXBDSA-N 1 0 310.350 1.445 20 5 DDBDRO Cc1c([C@H](C)[NH2+]CCNc2cnccn2)cccc1[N+](=O)[O-] ZINC000361980121 418734181 /nfs/dbraw/zinc/73/41/81/418734181.db2.gz HGAUBZMMJUHLPD-LBPRGKRZSA-N 1 0 301.350 2.456 20 5 DDBDRO Cn1c(C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000362054579 418745424 /nfs/dbraw/zinc/74/54/24/418745424.db2.gz DLPUGEMOZJGPGX-CYBMUJFWSA-N 1 0 320.393 1.928 20 5 DDBDRO COC(=O)C[C@@]1([NH2+]CCOc2ccccc2[N+](=O)[O-])CCOC1 ZINC000362263728 418751234 /nfs/dbraw/zinc/75/12/34/418751234.db2.gz WMTBORSYNBTHII-HNNXBMFYSA-N 1 0 324.333 1.285 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1CN1CCO[C@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000371299472 418776918 /nfs/dbraw/zinc/77/69/18/418776918.db2.gz HFRMQDFDMVICMI-BZPMIXESSA-N 1 0 323.397 1.012 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)N2CCN(C)[C@@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000408092752 418786859 /nfs/dbraw/zinc/78/68/59/418786859.db2.gz ZRAIIPQQDYTWGJ-UWVGGRQHSA-N 1 0 309.370 1.606 20 5 DDBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCN3CCOC[C@@H]3C2)cc1 ZINC000371827898 418820109 /nfs/dbraw/zinc/82/01/09/418820109.db2.gz BCUJNUMRAKMFRF-HNNXBMFYSA-N 1 0 321.377 1.380 20 5 DDBDRO CCOc1ccc(C(=O)N[C@H]2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000372437126 418869938 /nfs/dbraw/zinc/86/99/38/418869938.db2.gz LPBCUMJREXWBKO-LBPRGKRZSA-N 1 0 307.350 1.865 20 5 DDBDRO C[N@@H+]1CCCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000411157156 418875184 /nfs/dbraw/zinc/87/51/84/418875184.db2.gz PXZGOYHOVWKEFD-OAHLLOKOSA-N 1 0 318.377 1.338 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@@H]2c3ccccc3CC[C@H]2CO)n1 ZINC000365268466 418847640 /nfs/dbraw/zinc/84/76/40/418847640.db2.gz PMQOJHMPHHDWMM-BBRMVZONSA-N 1 0 316.361 1.677 20 5 DDBDRO O=[N+]([O-])c1cnn([C@H]2CCC[N@@H+](C[C@H](O)CC(F)(F)F)C2)c1 ZINC000365287940 418850317 /nfs/dbraw/zinc/85/03/17/418850317.db2.gz GYNWSRFEGBRMGS-GXSJLCMTSA-N 1 0 322.287 1.742 20 5 DDBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@](O)(C2CC2)C1 ZINC000365839913 418915552 /nfs/dbraw/zinc/91/55/52/418915552.db2.gz UBWWCQCCKPVOTO-MEDUHNTESA-N 1 0 319.361 1.769 20 5 DDBDRO [NH3+]CC1(CC(=O)NCCn2cc([N+](=O)[O-])cn2)CCCCC1 ZINC000423891695 227776360 /nfs/dbraw/zinc/77/63/60/227776360.db2.gz BPHIFAYFOLYZRU-UHFFFAOYSA-N 1 0 309.370 1.207 20 5 DDBDRO Cc1nn(C)c(C(=O)Nc2cc(C)cc(C[NH3+])c2)c1[N+](=O)[O-] ZINC000424241911 228250263 /nfs/dbraw/zinc/25/02/63/228250263.db2.gz OJZSMRUZBVQASA-UHFFFAOYSA-N 1 0 303.322 1.656 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1CN1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424382453 228261890 /nfs/dbraw/zinc/26/18/90/228261890.db2.gz SHLJTLUFISNUIN-JKSUJKDBSA-N 1 0 315.377 1.563 20 5 DDBDRO COC[C@@H]1C[C@H](O)C[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000411905765 419464883 /nfs/dbraw/zinc/46/48/83/419464883.db2.gz CDPHQUFCFPNGCX-RYUDHWBXSA-N 1 0 323.349 1.005 20 5 DDBDRO Cc1c(CNC(=O)N[C@@H]2CC[NH2+]C[C@H]2C)cccc1[N+](=O)[O-] ZINC000418084019 419519722 /nfs/dbraw/zinc/51/97/22/419519722.db2.gz UIJGBFFTMCKOAJ-ZWNOBZJWSA-N 1 0 306.366 1.700 20 5 DDBDRO C[C@@H]([NH3+])[C@H](C)NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000418084957 419520976 /nfs/dbraw/zinc/52/09/76/419520976.db2.gz SWOZSWLKMFODMQ-SFYZADRCSA-N 1 0 306.326 1.006 20 5 DDBDRO Cc1c(CNC(=O)N[C@H]2CC[C@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000418077380 419514791 /nfs/dbraw/zinc/51/47/91/419514791.db2.gz HSBJHESACZCXOJ-AAEUAGOBSA-N 1 0 306.366 1.830 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCc2nnnn2CC1 ZINC000421398250 419594125 /nfs/dbraw/zinc/59/41/25/419594125.db2.gz OALRVHDUDYSNMO-GFCCVEGCSA-N 1 0 302.338 1.384 20 5 DDBDRO C[NH2+]C[C@@H](C)CNC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000418361079 419740800 /nfs/dbraw/zinc/74/08/00/419740800.db2.gz ACTUOIAMCYATJD-GFCCVEGCSA-N 1 0 308.382 1.634 20 5 DDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)s1 ZINC000427946448 419772406 /nfs/dbraw/zinc/77/24/06/419772406.db2.gz ORMWJILBIJDMIP-BDAKNGLRSA-N 1 0 317.392 1.029 20 5 DDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000428035775 419796491 /nfs/dbraw/zinc/79/64/91/419796491.db2.gz VWWQWKZXIGQVRL-JMSVASOKSA-N 1 0 318.377 1.606 20 5 DDBDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000429791489 420047706 /nfs/dbraw/zinc/04/77/06/420047706.db2.gz SOXAPRIDZJFWES-VXGBXAGGSA-N 1 0 307.350 1.478 20 5 DDBDRO CC[C@H]([NH3+])CN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000423472875 420056938 /nfs/dbraw/zinc/05/69/38/420056938.db2.gz QKDLOWJIUPBNEN-JSGCOSHPSA-N 1 0 303.366 1.745 20 5 DDBDRO Cc1c(CC(=O)NC[C@@](C)(O)CC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000420025033 420097136 /nfs/dbraw/zinc/09/71/36/420097136.db2.gz ZKTHDNNPOYORHO-INIZCTEOSA-N 1 0 323.393 1.265 20 5 DDBDRO COC[C@@]1(CNC(=O)c2cc([N+](=O)[O-])c(C)cc2C)CCC[NH2+]1 ZINC000423631199 420107480 /nfs/dbraw/zinc/10/74/80/420107480.db2.gz GHIWKGWOCFTQBG-INIZCTEOSA-N 1 0 321.377 1.710 20 5 DDBDRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000423636444 420108817 /nfs/dbraw/zinc/10/88/17/420108817.db2.gz BFGGPHYOEVFGEE-CABZTGNLSA-N 1 0 300.318 1.705 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+]C1(C(N)=O)CCCCC1 ZINC000430211115 420090428 /nfs/dbraw/zinc/09/04/28/420090428.db2.gz XBVWSCOGVYIRGA-UHFFFAOYSA-N 1 0 307.350 1.881 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000415496164 420090561 /nfs/dbraw/zinc/09/05/61/420090561.db2.gz GHQGMNKWDVNEOA-SKDRFNHKSA-N 1 0 306.322 1.429 20 5 DDBDRO C[NH2+]C[C@H]1CCCN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000420285648 420183282 /nfs/dbraw/zinc/18/32/82/420183282.db2.gz FHSBWZMYZUIKQQ-GFCCVEGCSA-N 1 0 306.366 1.607 20 5 DDBDRO CCCN(CC(=O)Nc1c(C)cccc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000430941364 420216698 /nfs/dbraw/zinc/21/66/98/420216698.db2.gz WDDPNMJWUGCFOB-CYBMUJFWSA-N 1 0 320.393 1.916 20 5 DDBDRO C[NH2+]CC1CCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000430927958 420208201 /nfs/dbraw/zinc/20/82/01/420208201.db2.gz KAQSVTWKPVCXLE-GFCCVEGCSA-N 1 0 320.393 1.853 20 5 DDBDRO O=C(CC[C@@H]1CC[NH2+]C1)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000423724253 420143353 /nfs/dbraw/zinc/14/33/53/420143353.db2.gz MPWUFRUIOSWNPB-SECBINFHSA-N 1 0 303.322 1.799 20 5 DDBDRO Cc1c(NC(=O)CC[NH2+][C@@](C)(CN)C2CC2)cccc1[N+](=O)[O-] ZINC000430579009 420145075 /nfs/dbraw/zinc/14/50/75/420145075.db2.gz PZFQLSYTTNJQDS-INIZCTEOSA-N 1 0 320.393 1.949 20 5 DDBDRO O=[N+]([O-])c1ccc(-c2noc(NCC[C@H]3CC[NH2+]C3)n2)cc1 ZINC000420185960 420146197 /nfs/dbraw/zinc/14/61/97/420146197.db2.gz KNKLMRGCLXOYMK-SNVBAGLBSA-N 1 0 303.322 2.056 20 5 DDBDRO Cc1ccc(NC(=O)C(=O)N[C@H](C)CCCC[NH3+])cc1[N+](=O)[O-] ZINC000415744048 420160712 /nfs/dbraw/zinc/16/07/12/420160712.db2.gz PIBNSBCSTJSANA-LLVKDONJSA-N 1 0 322.365 1.475 20 5 DDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000415756751 420167813 /nfs/dbraw/zinc/16/78/13/420167813.db2.gz FIKWGUXCCKVABG-ZDUSSCGKSA-N 1 0 321.381 1.182 20 5 DDBDRO COc1ccc(OCCN2CCCC[C@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000430648330 420169721 /nfs/dbraw/zinc/16/97/21/420169721.db2.gz QWWIAQVYBMKQRS-LBPRGKRZSA-N 1 0 309.366 1.795 20 5 DDBDRO C[C@H]1CCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)[C@H](C[NH3+])C1 ZINC000420259028 420170970 /nfs/dbraw/zinc/17/09/70/420170970.db2.gz LFWPIJWBSCWJES-ONGXEEELSA-N 1 0 317.349 1.807 20 5 DDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000415769343 420171216 /nfs/dbraw/zinc/17/12/16/420171216.db2.gz WSRTWYWKFYGTDQ-LBPRGKRZSA-N 1 0 308.338 1.349 20 5 DDBDRO Cc1cc(N[C@@H](C)[C@H](C)[NH3+])nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000420273468 420178054 /nfs/dbraw/zinc/17/80/54/420178054.db2.gz XMXFSAUERMZGAD-QWRGUYRKSA-N 1 0 301.350 1.930 20 5 DDBDRO C[C@H]1CN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC[C@H]1[NH3+] ZINC000430974493 420230287 /nfs/dbraw/zinc/23/02/87/420230287.db2.gz ZZMFHEMVIZZMKC-SMDDNHRTSA-N 1 0 318.377 1.153 20 5 DDBDRO C[C@@H]1CN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C[NH2+]1 ZINC000420382850 420251710 /nfs/dbraw/zinc/25/17/10/420251710.db2.gz DIRKWWRCZYYHCG-NEPJUHHUSA-N 1 0 306.366 1.240 20 5 DDBDRO O=C(CN1CCC[C@]2(CC[NH2+]C2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000420386114 420253253 /nfs/dbraw/zinc/25/32/53/420253253.db2.gz VAVGWZCBJAOHKI-MRXNPFEDSA-N 1 0 318.377 1.609 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@H]2CCC[NH2+]C2)c1 ZINC000420404747 420265381 /nfs/dbraw/zinc/26/53/81/420265381.db2.gz NRVRDDQNHBXEPI-NSHDSACASA-N 1 0 313.379 1.242 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC[C@@H]([NH3+])C2CC2)c1 ZINC000420428141 420279812 /nfs/dbraw/zinc/27/98/12/420279812.db2.gz SGSOZBOJPBMSJC-LLVKDONJSA-N 1 0 313.379 1.227 20 5 DDBDRO CN(C(=O)CCCNc1ccc([N+](=O)[O-])cc1)[C@H](C[NH3+])C1CC1 ZINC000423957165 420282973 /nfs/dbraw/zinc/28/29/73/420282973.db2.gz UIWJYWVBIKHOFV-OAHLLOKOSA-N 1 0 320.393 1.983 20 5 DDBDRO C[N@@H+]1CC[C@](O)(CNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000436338279 420320998 /nfs/dbraw/zinc/32/09/98/420320998.db2.gz BRHJFFAQOSAFRF-NSHDSACASA-N 1 0 320.271 1.487 20 5 DDBDRO CC1=CC[N@H+](CCNc2c(C(N)=O)cccc2[N+](=O)[O-])CC1 ZINC000420610414 420330486 /nfs/dbraw/zinc/33/04/86/420330486.db2.gz KALRYRJHWDIRPB-UHFFFAOYSA-N 1 0 304.350 1.758 20 5 DDBDRO Cc1c(CC(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000424000798 420300790 /nfs/dbraw/zinc/30/07/90/420300790.db2.gz OQJCWNUNCOWWSB-BXUZGUMPSA-N 1 0 305.378 1.889 20 5 DDBDRO COc1cccc(C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000436009896 420301166 /nfs/dbraw/zinc/30/11/66/420301166.db2.gz WQFWEDXBHYCHOU-RYUDHWBXSA-N 1 0 319.361 1.960 20 5 DDBDRO NC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444680610 230119753 /nfs/dbraw/zinc/11/97/53/230119753.db2.gz QIJOHFJRHDQHAL-MNOVXSKESA-N 1 0 317.349 1.605 20 5 DDBDRO CCn1nc(C)c([N+](=O)[O-])c1NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000450796662 420534423 /nfs/dbraw/zinc/53/44/23/420534423.db2.gz VSRZMUQDTUYCGE-TXEJJXNPSA-N 1 0 309.370 1.395 20 5 DDBDRO Cc1c(CC(=O)N(C)[C@H]2C[NH+]3CCC2CC3)cccc1[N+](=O)[O-] ZINC000438987312 420474414 /nfs/dbraw/zinc/47/44/14/420474414.db2.gz TUPXLAAHCVMPJI-INIZCTEOSA-N 1 0 317.389 1.998 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000457080879 420606275 /nfs/dbraw/zinc/60/62/75/420606275.db2.gz CMKPQCUFLJPDFI-LLVKDONJSA-N 1 0 323.397 1.996 20 5 DDBDRO C[C@@H](C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1)c1ccc([N+](=O)[O-])cc1F ZINC000452970832 420692086 /nfs/dbraw/zinc/69/20/86/420692086.db2.gz GDMRKSNKBOJLPB-JRPNMDOOSA-N 1 0 321.352 2.000 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2C[C@@H](C3CC3)[C@@H]2C2CC2)c1 ZINC000453046872 420707884 /nfs/dbraw/zinc/70/78/84/420707884.db2.gz YRHOZWOCLGIWTF-ILXRZTDVSA-N 1 0 306.366 1.273 20 5 DDBDRO C[C@]1(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CCC(=O)N1 ZINC000453413786 420727649 /nfs/dbraw/zinc/72/76/49/420727649.db2.gz JHDOSODKWQLCEW-SLEUVZQESA-N 1 0 321.381 1.533 20 5 DDBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+][C@@H]2C=C[C@H](CO)C2)n1 ZINC000447578436 420782475 /nfs/dbraw/zinc/78/24/75/420782475.db2.gz FNDCYKJGLQZSMK-CRWXNKLISA-N 1 0 306.366 1.802 20 5 DDBDRO C[NH+](C)CCNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000448565720 420863500 /nfs/dbraw/zinc/86/35/00/420863500.db2.gz WTMKFSKLSQTWRT-UHFFFAOYSA-N 1 0 303.322 1.072 20 5 DDBDRO CC[C@@H]1CN(CC)CCN1C(=O)c1cc([N+](=O)[O-])cnc1C ZINC000456346707 421146257 /nfs/dbraw/zinc/14/62/57/421146257.db2.gz IZODHVMDSDDVTK-GFCCVEGCSA-N 1 0 306.366 1.855 20 5 DDBDRO CCCN(CC[NH+](C)C)C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000525129669 421279842 /nfs/dbraw/zinc/27/98/42/421279842.db2.gz KAZCGLWSXIXSGP-UHFFFAOYSA-N 1 0 323.349 1.737 20 5 DDBDRO COc1ccc(CC(=O)NCC[N@@H+]2CC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000525291753 421284395 /nfs/dbraw/zinc/28/43/95/421284395.db2.gz PWAZROBVYGLOJA-GFCCVEGCSA-N 1 0 321.377 1.604 20 5 DDBDRO C[C@H]1CC[N@H+](CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000546878070 421314557 /nfs/dbraw/zinc/31/45/57/421314557.db2.gz BKQCDTDOSNFNRJ-NSHDSACASA-N 1 0 313.379 1.215 20 5 DDBDRO O=C(NCCC[NH2+]C1CC1)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000563568796 421521792 /nfs/dbraw/zinc/52/17/92/421521792.db2.gz VZQJCUJWRVDPFU-UHFFFAOYSA-N 1 0 322.365 1.415 20 5 DDBDRO CN1CCN(C)[C@@H](C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000563418849 421506078 /nfs/dbraw/zinc/50/60/78/421506078.db2.gz QINQVXDWMRYTBR-WFASDCNBSA-N 1 0 304.394 1.418 20 5 DDBDRO C[N@@H+]1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000549743606 421506608 /nfs/dbraw/zinc/50/66/08/421506608.db2.gz KILUMQLLWSXPAP-UHFFFAOYSA-N 1 0 307.350 1.526 20 5 DDBDRO C[C@H](NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)[C@@H]1CCC[NH2+]C1 ZINC000516174800 421531248 /nfs/dbraw/zinc/53/12/48/421531248.db2.gz YAYOOUWAWYFBGC-VHSXEESVSA-N 1 0 321.333 1.441 20 5 DDBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000531634751 421641361 /nfs/dbraw/zinc/64/13/61/421641361.db2.gz JOTPWECCMASVLG-RYUDHWBXSA-N 1 0 306.366 1.935 20 5 DDBDRO [NH3+]CC12CCC(CC1)CN2C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000571891476 421749933 /nfs/dbraw/zinc/74/99/33/421749933.db2.gz XDNYYZRZINRZGI-UHFFFAOYSA-N 1 0 303.362 1.867 20 5 DDBDRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000520766176 421761217 /nfs/dbraw/zinc/76/12/17/421761217.db2.gz MPRKGDCUYGEORL-SECBINFHSA-N 1 0 319.317 1.290 20 5 DDBDRO CC[C@@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@@H](O)CC ZINC000522001719 421811013 /nfs/dbraw/zinc/81/10/13/421811013.db2.gz KNKAMRPCNVNHOK-BZPMIXESSA-N 1 0 312.366 1.474 20 5 DDBDRO COc1ccccc1[C@H](CO)[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000542911235 421832597 /nfs/dbraw/zinc/83/25/97/421832597.db2.gz YNDFGXBGYHTUAE-LBPRGKRZSA-N 1 0 306.322 1.123 20 5 DDBDRO C[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000541349088 421791175 /nfs/dbraw/zinc/79/11/75/421791175.db2.gz QHRWNWNTMHZFTP-ZDUSSCGKSA-N 1 0 310.350 1.445 20 5 DDBDRO C[N@@H+]1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])C2(CCCCC2)C1 ZINC000572977761 421890118 /nfs/dbraw/zinc/89/01/18/421890118.db2.gz HMBZEIHYVAPDQV-UHFFFAOYSA-N 1 0 307.354 1.408 20 5 DDBDRO COCC[C@]1([NH2+]CCOc2ccc([N+](=O)[O-])cc2)CCOC1 ZINC000573288803 421942925 /nfs/dbraw/zinc/94/29/25/421942925.db2.gz CMOHXXLKNYSBFC-HNNXBMFYSA-N 1 0 310.350 1.759 20 5 DDBDRO C[C@@H](C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)N(C)C1CC1 ZINC000581809524 422046468 /nfs/dbraw/zinc/04/64/68/422046468.db2.gz MIRCCKBIZRWSJD-WFASDCNBSA-N 1 0 323.393 1.407 20 5 DDBDRO C[NH+](C)CCC1CCN(C(=O)c2ccnc(N)c2[N+](=O)[O-])CC1 ZINC000583943715 422224690 /nfs/dbraw/zinc/22/46/90/422224690.db2.gz RGODZCAEAQSUGP-UHFFFAOYSA-N 1 0 321.381 1.376 20 5 DDBDRO Nc1nccc(C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000594283000 422344273 /nfs/dbraw/zinc/34/42/73/422344273.db2.gz XYPPILMCRRZHSB-LLVKDONJSA-N 1 0 319.365 1.272 20 5 DDBDRO Cc1nc(NC[C@H](C)N2C[C@@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000594591804 422351747 /nfs/dbraw/zinc/35/17/47/422351747.db2.gz LGTFJSZVWXHBHU-SDDRHHMPSA-N 1 0 308.382 2.208 20 5 DDBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNc2ccc(N)c([N+](=O)[O-])n2)C1 ZINC000596078371 422362463 /nfs/dbraw/zinc/36/24/63/422362463.db2.gz UHDBSVTUHNALFY-TXEJJXNPSA-N 1 0 307.398 2.352 20 5 DDBDRO COC(=O)c1cc(C)nc(NCC[C@@H](C)[NH+](C)C)c1[N+](=O)[O-] ZINC000596430118 422375799 /nfs/dbraw/zinc/37/57/99/422375799.db2.gz JFDMHJKKOFCKEB-SNVBAGLBSA-N 1 0 310.354 1.837 20 5 DDBDRO Cc1cc(OCC(=O)NCC[N@H+]2CC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000578480307 422578238 /nfs/dbraw/zinc/57/82/38/422578238.db2.gz QGTYCKAIMVJGTO-GFCCVEGCSA-N 1 0 321.377 1.740 20 5 DDBDRO O=[N+]([O-])c1ccc(CN2CC[C@H](CO)[C@H](O)C2)c(Cl)c1 ZINC000578795621 422648723 /nfs/dbraw/zinc/64/87/23/422648723.db2.gz PHKJNEZFUAFJNO-ZWNOBZJWSA-N 1 0 300.742 1.423 20 5 DDBDRO CCC[C@](C)([NH3+])C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000319969532 271025377 /nfs/dbraw/zinc/02/53/77/271025377.db2.gz CEMPHBQTBNGNHF-HNNXBMFYSA-N 1 0 321.381 1.156 20 5 DDBDRO CN(CC1CC[NH+](C)CC1)c1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000341973506 271262010 /nfs/dbraw/zinc/26/20/10/271262010.db2.gz OANFZQQNYAFKLR-UHFFFAOYSA-N 1 0 306.366 1.472 20 5 DDBDRO CCCN(CC[NH+](C)C)C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000343056360 271630602 /nfs/dbraw/zinc/63/06/02/271630602.db2.gz XARLKJZJMBWYOU-UHFFFAOYSA-N 1 0 309.366 1.774 20 5 DDBDRO CC[NH+]1C[C@@H](C)N(C(=O)Cn2cc([N+](=O)[O-])nc2C)[C@H](C)C1 ZINC000344425756 272023563 /nfs/dbraw/zinc/02/35/63/272023563.db2.gz OHMXTSWQVLRGSK-GHMZBOCLSA-N 1 0 309.370 1.041 20 5 DDBDRO CN(C)CC[N@H+](C)CCCNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000345372494 272233515 /nfs/dbraw/zinc/23/35/15/272233515.db2.gz RJUOOGFAXUSEFP-UHFFFAOYSA-N 1 0 314.411 1.270 20 5 DDBDRO COC(=O)CC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000152538786 277054549 /nfs/dbraw/zinc/05/45/49/277054549.db2.gz HTHJCYTXUYHBLA-UHFFFAOYSA-N 1 0 308.334 1.797 20 5 DDBDRO C[NH2+]C[C@@H]1CCCN(CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000261834534 277275422 /nfs/dbraw/zinc/27/54/22/277275422.db2.gz BZDPCMJINZDVII-LBPRGKRZSA-N 1 0 306.366 1.465 20 5 DDBDRO C[NH2+]C[C@H]1CCCN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000430552420 277285567 /nfs/dbraw/zinc/28/55/67/277285567.db2.gz BGSHHXKFCGVSSO-CQSZACIVSA-N 1 0 320.393 1.916 20 5 DDBDRO C[NH2+]C[C@H]1CCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000430930973 277286396 /nfs/dbraw/zinc/28/63/96/277286396.db2.gz BUMSEVCOLCYLGO-NWDGAFQWSA-N 1 0 306.366 1.463 20 5 DDBDRO C[C@H]1CC2(CN1C(=O)c1ccc([N+](=O)[O-])n1C)CC[NH2+]CC2 ZINC000424226782 278328098 /nfs/dbraw/zinc/32/80/98/278328098.db2.gz SMYKRQQOISENJZ-NSHDSACASA-N 1 0 306.366 1.538 20 5 DDBDRO C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[NH2+]C1 ZINC000050163266 278360853 /nfs/dbraw/zinc/36/08/53/278360853.db2.gz IKRFBLUIYBVOBH-GHMZBOCLSA-N 1 0 313.379 1.261 20 5 DDBDRO C[C@H](C[NH3+])CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000237578569 279289127 /nfs/dbraw/zinc/28/91/27/279289127.db2.gz SFKGURJITNMRPV-LLVKDONJSA-N 1 0 306.366 1.520 20 5 DDBDRO Cc1c(C[N@H+]2CC[C@@H]3OCCN(C)[C@H]3C2)cccc1[N+](=O)[O-] ZINC000284699804 280225733 /nfs/dbraw/zinc/22/57/33/280225733.db2.gz IJXQQJVAFCZVEJ-HOTGVXAUSA-N 1 0 305.378 1.808 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000430556385 280662550 /nfs/dbraw/zinc/66/25/50/280662550.db2.gz ZAVUHKHSQLJKEM-IAQYHMDHSA-N 1 0 320.393 1.901 20 5 DDBDRO C[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C[C@@H]1CCCCO1 ZINC000126038161 281224245 /nfs/dbraw/zinc/22/42/45/281224245.db2.gz KGURSSPIIOIYIP-HOCLYGCPSA-N 1 0 324.377 1.835 20 5 DDBDRO NC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000453374648 295116973 /nfs/dbraw/zinc/11/69/73/295116973.db2.gz SMBKBWOOTFVKRX-MROQNXINSA-N 1 0 321.381 1.519 20 5 DDBDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000170808197 298221901 /nfs/dbraw/zinc/22/19/01/298221901.db2.gz ZWQSICPJOMLKJI-CQSZACIVSA-N 1 0 321.377 1.744 20 5 DDBDRO CC[N@H+](C)CCNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000354021243 298341830 /nfs/dbraw/zinc/34/18/30/298341830.db2.gz DDJMAAREGNVPKT-UHFFFAOYSA-N 1 0 317.349 1.462 20 5 DDBDRO CCOC(=O)c1cc(C(=O)NCC[N@H+](C)CC)cc([N+](=O)[O-])c1 ZINC000354027213 298343063 /nfs/dbraw/zinc/34/30/63/298343063.db2.gz FVWINGBZIXPZPM-UHFFFAOYSA-N 1 0 323.349 1.453 20 5 DDBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])nn1C)C[NH+]1CCCCC1 ZINC000356446533 298792670 /nfs/dbraw/zinc/79/26/70/298792670.db2.gz LIRLBXKEFLNFIE-LLVKDONJSA-N 1 0 309.370 1.180 20 5 DDBDRO COC(=O)C[C@]1([NH2+]Cc2cccc([N+](=O)[O-])c2C)CCOC1 ZINC000362269887 300040450 /nfs/dbraw/zinc/04/04/50/300040450.db2.gz LHVKNODDQZZIHR-OAHLLOKOSA-N 1 0 308.334 1.715 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@H]3C[NH+](C)C[C@@H]3C2)c1 ZINC000362664623 300113603 /nfs/dbraw/zinc/11/36/03/300113603.db2.gz MVGUDDQEOAMMLN-VXGBXAGGSA-N 1 0 305.334 1.379 20 5 DDBDRO CNC(=O)c1ccc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000363099274 300210592 /nfs/dbraw/zinc/21/05/92/300210592.db2.gz FQVFTMVTMDHMAQ-QWHCGFSZSA-N 1 0 318.377 1.993 20 5 DDBDRO CO[C@H]1CCC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000363651023 300292992 /nfs/dbraw/zinc/29/29/92/300292992.db2.gz JNNXLBTWHYODGB-KBPBESRZSA-N 1 0 324.377 1.835 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N[C@H]1CCC[NH2+]CC1 ZINC000364186284 300354783 /nfs/dbraw/zinc/35/47/83/300354783.db2.gz YGSRFRHNFVZANW-JTQLQIEISA-N 1 0 311.313 1.371 20 5 DDBDRO CC(C)[N@H+](C)CC(=O)N1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000368413023 301022383 /nfs/dbraw/zinc/02/23/83/301022383.db2.gz PDMRLNSMIRJNMD-LBPRGKRZSA-N 1 0 309.370 1.295 20 5 DDBDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1c1ncc([N+](=O)[O-])s1 ZINC000369500096 301191399 /nfs/dbraw/zinc/19/13/99/301191399.db2.gz JFXSERHBLDDAIU-JTQLQIEISA-N 1 0 312.395 1.741 20 5 DDBDRO [NH3+][C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)COc1ccccc1[N+](=O)[O-] ZINC000372437318 301571625 /nfs/dbraw/zinc/57/16/25/301571625.db2.gz AOAXKRWMYRFDOR-CNDDSTCGSA-N 1 0 305.334 1.454 20 5 DDBDRO CCCN(CC[NH+](C)C)C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000355340192 306795939 /nfs/dbraw/zinc/79/59/39/306795939.db2.gz NZPKCBUGCIUYPK-UHFFFAOYSA-N 1 0 308.382 1.807 20 5 DDBDRO C[C@@H]1C[C@@H](C)N(CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000397308876 302353486 /nfs/dbraw/zinc/35/34/86/302353486.db2.gz IBJROYVSOFDTPI-JHJVBQTASA-N 1 0 320.393 1.839 20 5 DDBDRO C[C@@H]([NH2+][C@H]1CCN(S(C)(=O)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000400235859 302368844 /nfs/dbraw/zinc/36/88/44/302368844.db2.gz UVTZACQIVOIASB-PWSUYJOCSA-N 1 0 313.379 1.279 20 5 DDBDRO Cn1nc([N+](=O)[O-])cc1C(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000356151732 306839161 /nfs/dbraw/zinc/83/91/61/306839161.db2.gz KGHNCTFDGXISJU-UHFFFAOYSA-N 1 0 303.322 1.642 20 5 DDBDRO C[NH2+]C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000517564523 302814987 /nfs/dbraw/zinc/81/49/87/302814987.db2.gz HNLAJLBKZCUYOM-LLVKDONJSA-N 1 0 314.345 1.825 20 5 DDBDRO C[NH+](C)[C@@]1(CNC(=O)c2ccc([N+](=O)[O-])cn2)CCSC1 ZINC000532143833 303277251 /nfs/dbraw/zinc/27/72/51/303277251.db2.gz CNZIXYXRLFXPLS-CYBMUJFWSA-N 1 0 310.379 1.157 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)NC[C@H]2CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000533230222 303314224 /nfs/dbraw/zinc/31/42/24/303314224.db2.gz YNSCCJALPQTSGY-SNVBAGLBSA-N 1 0 309.370 1.513 20 5 DDBDRO C[N@H+](CCNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)C1CC1 ZINC000536010203 303353816 /nfs/dbraw/zinc/35/38/16/303353816.db2.gz JMJSGJMGSUCERJ-UHFFFAOYSA-N 1 0 318.377 1.757 20 5 DDBDRO C[N@H+]1CC=C(CNC(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000537272508 303372854 /nfs/dbraw/zinc/37/28/54/303372854.db2.gz XIUHHEUPGOOVHQ-UHFFFAOYSA-N 1 0 304.350 1.656 20 5 DDBDRO CN(C(=O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]CC1 ZINC000364650115 307049712 /nfs/dbraw/zinc/04/97/12/307049712.db2.gz VVPGYRKOHHNXTL-GFCCVEGCSA-N 1 0 307.350 1.574 20 5 DDBDRO CCOC(C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)OCC ZINC000369489095 307121496 /nfs/dbraw/zinc/12/14/96/307121496.db2.gz CGSAKPOCUCMQLI-UHFFFAOYSA-N 1 0 312.370 1.827 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH+]2CC([C@@H]3CCOC3)C2)c1 ZINC000373641292 307193724 /nfs/dbraw/zinc/19/37/24/307193724.db2.gz SAPXWOUKISEMND-IUODEOHRSA-N 1 0 322.361 1.303 20 5 DDBDRO [NH3+]Cc1ccc2c(c1)CCCN2C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000374481434 307208559 /nfs/dbraw/zinc/20/85/59/307208559.db2.gz MCKMSMKOKPTXIY-UHFFFAOYSA-N 1 0 315.333 1.229 20 5 DDBDRO Cn1ccc(N2CC[C@@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000375792475 307231510 /nfs/dbraw/zinc/23/15/10/307231510.db2.gz MWGJQFCDHXHOBB-CYBMUJFWSA-N 1 0 301.350 1.697 20 5 DDBDRO CCN(C(=O)[C@@H]1C[C@@H]1[N+](=O)[O-])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000376301695 307242581 /nfs/dbraw/zinc/24/25/81/307242581.db2.gz HTFUGVZZEAGRCO-XHSDSOJGSA-N 1 0 317.389 1.775 20 5 DDBDRO C[C@@H]1CC[C@H](O)C[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000421021458 307300454 /nfs/dbraw/zinc/30/04/54/307300454.db2.gz OBYSYWSVYKWLTO-AGIUHOORSA-N 1 0 310.350 1.180 20 5 DDBDRO [NH3+]C[C@@H]1c2ccccc2CCN1CCn1ccc([N+](=O)[O-])n1 ZINC000516570821 307417904 /nfs/dbraw/zinc/41/79/04/307417904.db2.gz GYNGZDMNNRHVAI-CQSZACIVSA-N 1 0 301.350 1.349 20 5 DDBDRO C[C@@H](CCCC[NH3+])NC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000520547223 307460855 /nfs/dbraw/zinc/46/08/55/307460855.db2.gz VHPVOKPDCZMKQK-LBPRGKRZSA-N 1 0 324.381 1.790 20 5 DDBDRO COC[C@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])C(C)C ZINC000544415761 307716777 /nfs/dbraw/zinc/71/67/77/307716777.db2.gz QIXJYNKRCWAAFV-OLZOCXBDSA-N 1 0 312.366 1.595 20 5 DDBDRO CN1CCC[C@H]1C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000567691550 308090905 /nfs/dbraw/zinc/09/09/05/308090905.db2.gz ZHMJSIHLWCHWIS-LBPRGKRZSA-N 1 0 306.366 1.607 20 5 DDBDRO C[NH+](C)CCNc1ccc([N+](=O)[O-])c(N2CCOCC2)c1F ZINC000569708765 308147744 /nfs/dbraw/zinc/14/77/44/308147744.db2.gz SGUSAOXALJRVLA-UHFFFAOYSA-N 1 0 312.345 1.544 20 5 DDBDRO O=C(C[C@@H]1COCC[NH2+]1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000571883848 308205677 /nfs/dbraw/zinc/20/56/77/308205677.db2.gz GTFQQVNLGAMGQB-CYBMUJFWSA-N 1 0 319.361 1.464 20 5 DDBDRO Cc1cncc(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000573712955 308250260 /nfs/dbraw/zinc/25/02/60/308250260.db2.gz NOUKOPNHDHEWTL-AWEZNQCLSA-N 1 0 317.345 1.828 20 5 DDBDRO C[C@@H](Cc1ccc(O)cc1)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000573713281 308250271 /nfs/dbraw/zinc/25/02/71/308250271.db2.gz OBHIALJDPBJBEK-XHDPSFHLSA-N 1 0 320.349 1.079 20 5 DDBDRO C[C@@]1(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000574071957 308260536 /nfs/dbraw/zinc/26/05/36/308260536.db2.gz OKWFWFXNQUYDAI-HIFRSBDPSA-N 1 0 310.350 1.493 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+](CC3(CO)COC3)C2)cc1 ZINC000574129196 308261840 /nfs/dbraw/zinc/26/18/40/308261840.db2.gz DCTQIXSBBOXCFO-AWEZNQCLSA-N 1 0 306.362 1.783 20 5 DDBDRO C[C@H](CCCC(F)(F)F)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000575175114 308271736 /nfs/dbraw/zinc/27/17/36/308271736.db2.gz FRAWYHSRFUDTQS-MWLCHTKSSA-N 1 0 324.303 1.863 20 5 DDBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000575920784 308282321 /nfs/dbraw/zinc/28/23/21/308282321.db2.gz OTKUAIMYSUWOGH-RYUDHWBXSA-N 1 0 308.382 1.905 20 5 DDBDRO C[C@@H](C(=O)NCCNc1ccccc1[N+](=O)[O-])[NH+]1CC(C)C1 ZINC000578347689 308455836 /nfs/dbraw/zinc/45/58/36/308455836.db2.gz JBKIKCWJGCXYIG-LBPRGKRZSA-N 1 0 306.366 1.463 20 5 DDBDRO [NH3+]C[C@H]1CC[C@@H](NC(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000580539826 308611652 /nfs/dbraw/zinc/61/16/52/308611652.db2.gz UOBAVIMMQQTGGF-NWDGAFQWSA-N 1 0 322.365 1.400 20 5 DDBDRO CNc1ccc(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)cc1[N+](=O)[O-] ZINC000580833136 308634755 /nfs/dbraw/zinc/63/47/55/308634755.db2.gz WTMGMRPZDILFDX-LLVKDONJSA-N 1 0 314.292 1.364 20 5 DDBDRO CNc1ccc(C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000581428422 325850982 /nfs/dbraw/zinc/85/09/82/325850982.db2.gz FQYOBDNJHPIBNE-GXTWGEPZSA-N 1 0 318.377 1.754 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1CN1CCC[C@@]12CCNC2=O ZINC000583880298 337375693 /nfs/dbraw/zinc/37/56/93/337375693.db2.gz SWVUMNHCLKXIRK-HNNXBMFYSA-N 1 0 305.334 1.458 20 5 DDBDRO C[C@@H]1[C@@H](CO)CC[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000488727962 484215654 /nfs/dbraw/zinc/21/56/54/484215654.db2.gz WZZVIZLGSRHLMJ-DGCLKSJQSA-N 1 0 319.361 1.187 20 5 DDBDRO Cc1nn(C)c(N[C@H]2CCN(C3CC[NH+](C)CC3)C2)c1[N+](=O)[O-] ZINC000361680002 484522968 /nfs/dbraw/zinc/52/29/68/484522968.db2.gz ASONWBOSDWKQJU-LBPRGKRZSA-N 1 0 322.413 1.217 20 5 DDBDRO Cc1c(NC(=O)CC[N@H+]2CC[C@@H](C)[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC000305766036 533899363 /nfs/dbraw/zinc/89/93/63/533899363.db2.gz RFDFFFVWCCRSRD-ABAIWWIYSA-N 1 0 321.377 1.935 20 5 DDBDRO C[C@@H]1CCC[C@](CNc2ncc([N+](=O)[O-])c(N)n2)([NH+](C)C)C1 ZINC000301088635 533900469 /nfs/dbraw/zinc/90/04/69/533900469.db2.gz NBSGKKRZEWXFCT-YGRLFVJLSA-N 1 0 308.386 1.889 20 5 DDBDRO Cc1cc(NC(=O)C(=O)NC[C@@H](C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000299269367 533932819 /nfs/dbraw/zinc/93/28/19/533932819.db2.gz KTGKVUCSIHSXDX-SNVBAGLBSA-N 1 0 322.365 1.156 20 5 DDBDRO NC(=O)c1ccc(C[N@@H+]2CC[C@H](CCCO)C2)c([N+](=O)[O-])c1 ZINC000452132181 534481086 /nfs/dbraw/zinc/48/10/86/534481086.db2.gz QKFOHUREBNHZBC-NSHDSACASA-N 1 0 307.350 1.288 20 5 DDBDRO Cc1nc(C2CC[NH+](CCn3cc([N+](=O)[O-])cn3)CC2)no1 ZINC000157945389 526779593 /nfs/dbraw/zinc/77/95/93/526779593.db2.gz NXLMQQJWNGHJPY-UHFFFAOYSA-N 1 0 306.326 1.362 20 5 DDBDRO CC(C)(CC[NH3+])NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000422554586 527030622 /nfs/dbraw/zinc/03/06/22/527030622.db2.gz MSPQKCOGOVLHEA-UHFFFAOYSA-N 1 0 301.368 1.142 20 5 DDBDRO CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000423069880 527912174 /nfs/dbraw/zinc/91/21/74/527912174.db2.gz FHFMFSZZQAGANI-TZMCWYRMSA-N 1 0 307.350 1.286 20 5 DDBDRO CC(C)[C@](C)(CO)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411749346 527949033 /nfs/dbraw/zinc/94/90/33/527949033.db2.gz OEMAFMYEQZOPCQ-HNNXBMFYSA-N 1 0 309.366 1.920 20 5 DDBDRO CC[N@H+](CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(C)C ZINC000444169179 528514189 /nfs/dbraw/zinc/51/41/89/528514189.db2.gz PADYPAHGUXEHEM-UHFFFAOYSA-N 1 0 315.395 1.603 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000423534021 528692604 /nfs/dbraw/zinc/69/26/04/528692604.db2.gz ZEAUHLXLTDUJGZ-SDDRHHMPSA-N 1 0 319.361 1.803 20 5 DDBDRO CCCC[C@H](C[NH3+])NC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000422903726 528951268 /nfs/dbraw/zinc/95/12/68/528951268.db2.gz OZLXYBMXAXVWJY-GFCCVEGCSA-N 1 0 323.349 1.629 20 5 DDBDRO CC[N@H+](CCNc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1)C1CC1 ZINC000736536113 598298577 /nfs/dbraw/zinc/29/85/77/598298577.db2.gz CPKBYPJHYOFBAT-UHFFFAOYSA-N 1 0 317.353 1.671 20 5 DDBDRO CC(C)(C)[NH2+]CCNc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000735623769 598506475 /nfs/dbraw/zinc/50/64/75/598506475.db2.gz QILFPQWWIXUVSV-UHFFFAOYSA-N 1 0 305.342 1.575 20 5 DDBDRO CC[N@@H+]1CCC[C@H]1CNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC000821266424 607160891 /nfs/dbraw/zinc/16/08/91/607160891.db2.gz CMFAQIRNQFHOPN-VIFPVBQESA-N 1 0 318.341 1.066 20 5 DDBDRO COCCC[N@H+](C)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000066371013 696351816 /nfs/dbraw/zinc/35/18/16/696351816.db2.gz XCIXCEUPVCWWMS-UHFFFAOYSA-N 1 0 305.338 1.779 20 5 DDBDRO CN(Cc1ccc(Br)c([N+](=O)[O-])c1)C1C[NH2+]C1 ZINC000159496108 697310248 /nfs/dbraw/zinc/31/02/48/697310248.db2.gz DFACRUVQCMSOBP-UHFFFAOYSA-N 1 0 300.156 1.761 20 5 DDBDRO COCC[C@]1([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCOC1 ZINC000773949565 697826455 /nfs/dbraw/zinc/82/64/55/697826455.db2.gz XOFUDTFBHMZTSC-GJZGRUSLSA-N 1 0 310.350 1.413 20 5 DDBDRO O=[N+]([O-])c1ccc(CN2CCN([C@@H]3CC[NH2+]C3)CC2)c(Cl)c1 ZINC000262531219 698473482 /nfs/dbraw/zinc/47/34/82/698473482.db2.gz POIBAACJLTVWOS-CQSZACIVSA-N 1 0 324.812 1.728 20 5 DDBDRO C[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)CC1(O)CCOCC1 ZINC000781966865 698667629 /nfs/dbraw/zinc/66/76/29/698667629.db2.gz QBAGZWNZCPXVFM-CQSZACIVSA-N 1 0 310.350 1.102 20 5 DDBDRO C[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)S(C)(=O)=O ZINC000783650036 698864686 /nfs/dbraw/zinc/86/46/86/698864686.db2.gz KLACKJSWMUXABT-QMMMGPOBSA-N 1 0 306.771 1.771 20 5 DDBDRO C[NH+](C)C[C@@]1(O)CCN(c2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000713690496 699266528 /nfs/dbraw/zinc/26/65/28/699266528.db2.gz UGVFHLVQWHBJSZ-LBPRGKRZSA-N 1 0 300.746 1.146 20 5 DDBDRO C[C@@H]([NH2+]CC1(N2CCOCC2)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788773505 699339100 /nfs/dbraw/zinc/33/91/00/699339100.db2.gz DTTBUEGAYGYQEA-GFCCVEGCSA-N 1 0 320.393 1.692 20 5 DDBDRO C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC[N@@H+]1C ZINC000801911956 700351873 /nfs/dbraw/zinc/35/18/73/700351873.db2.gz WNCUUOLZMFWUOS-BDAKNGLRSA-N 1 0 310.329 1.529 20 5 DDBDRO C[N@@H+]1CC[C@](O)(CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000762817734 700908507 /nfs/dbraw/zinc/90/85/07/700908507.db2.gz KAPANDQTRBKPAG-ZDUSSCGKSA-N 1 0 313.741 1.045 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](CCO)C1CC1 ZINC000763066971 700923759 /nfs/dbraw/zinc/92/37/59/700923759.db2.gz HZSWNOGATXNPCK-OAHLLOKOSA-N 1 0 321.377 1.982 20 5 DDBDRO COc1ccc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)cn1 ZINC000809736549 701684175 /nfs/dbraw/zinc/68/41/75/701684175.db2.gz ZMUPEVKUMUUBTE-UHFFFAOYSA-N 1 0 302.334 1.964 20 5 DDBDRO CN1C[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1=O ZINC000765595026 701020516 /nfs/dbraw/zinc/02/05/16/701020516.db2.gz BRPMYLXCLUQIDD-CYBMUJFWSA-N 1 0 318.377 1.384 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@H](CCO)C1CC1 ZINC000771799200 701331186 /nfs/dbraw/zinc/33/11/86/701331186.db2.gz KPBPKOLUNPXSQC-QWHCGFSZSA-N 1 0 310.350 1.085 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2C[C@@H]3CC[C@H](O)C[C@@H]3C2)cc1 ZINC000839663796 701771830 /nfs/dbraw/zinc/77/18/30/701771830.db2.gz JRWHDFDVFYUKGO-LQKXBSAESA-N 1 0 306.362 1.721 20 5 DDBDRO COc1ccc([C@H](C[NH+](C)C)NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC000839759862 701814165 /nfs/dbraw/zinc/81/41/65/701814165.db2.gz DSWSKDCVFRFDCM-HZSPNIEDSA-N 1 0 307.350 1.079 20 5 DDBDRO C[C@H](CCS(C)(=O)=O)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815588845 701900436 /nfs/dbraw/zinc/90/04/36/701900436.db2.gz AKRYVKPSUFBPOM-NXEZZACHSA-N 1 0 315.395 1.651 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CC[C@](O)(C(F)F)C2)cc1 ZINC000831175544 706650376 /nfs/dbraw/zinc/65/03/76/706650376.db2.gz LMYQXBGVAGAOLT-WCQYABFASA-N 1 0 302.277 1.330 20 5 DDBDRO CC[NH+](CC)CC(C)(C)COC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000813151391 702305399 /nfs/dbraw/zinc/30/53/99/702305399.db2.gz HYPQIZIUTGFDHM-UHFFFAOYSA-N 1 0 312.370 1.703 20 5 DDBDRO C[C@H]1CN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC[NH2+]1 ZINC000842473617 702724964 /nfs/dbraw/zinc/72/49/64/702724964.db2.gz PMDGGOXNLMOCGB-JTQLQIEISA-N 1 0 310.329 1.356 20 5 DDBDRO [NH3+]CC[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000842859463 702783687 /nfs/dbraw/zinc/78/36/87/702783687.db2.gz HOCYZLNUUCIEGA-SECBINFHSA-N 1 0 319.408 1.548 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]Cc2ccc(CO)cc2)c1 ZINC000843076921 702814516 /nfs/dbraw/zinc/81/45/16/702814516.db2.gz ZYVVPOWSVHTVBP-INIZCTEOSA-N 1 0 302.330 1.910 20 5 DDBDRO Cc1ccc([C@@H](O)C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000843087313 702816090 /nfs/dbraw/zinc/81/60/90/702816090.db2.gz LPOPJZDHUXEJEF-KGLIPLIRSA-N 1 0 306.318 1.853 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@@H]2CCCCN2CCO)cc1 ZINC000843091205 702817297 /nfs/dbraw/zinc/81/72/97/702817297.db2.gz AJAIEGNGVUMJEQ-HOTGVXAUSA-N 1 0 323.393 1.065 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@H]2CCCCN2CCO)cc1 ZINC000843091204 702817371 /nfs/dbraw/zinc/81/73/71/702817371.db2.gz AJAIEGNGVUMJEQ-CVEARBPZSA-N 1 0 323.393 1.065 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H](CO)[C@@H]2CCCOC2)cc1 ZINC000843116602 702822214 /nfs/dbraw/zinc/82/22/14/702822214.db2.gz QYMHUGFSOZLKIH-BPLDGKMQSA-N 1 0 310.350 1.005 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1Cc1nc(CC2CC[NH2+]CC2)no1 ZINC000843134436 702826524 /nfs/dbraw/zinc/82/65/24/702826524.db2.gz RHVTZCPNOWDURF-UHFFFAOYSA-N 1 0 306.326 1.073 20 5 DDBDRO C[NH2+]C[C@H]1CCCN1C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000843355270 702865450 /nfs/dbraw/zinc/86/54/50/702865450.db2.gz YAUCEPQEAUXMEY-LLVKDONJSA-N 1 0 322.321 1.635 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)cc1[N+](=O)[O-] ZINC000843471907 702888467 /nfs/dbraw/zinc/88/84/67/702888467.db2.gz PDECRQPCELBSGM-GZMMTYOYSA-N 1 0 322.321 1.682 20 5 DDBDRO O=C(N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)[C@]1(F)CC[NH2+]C1 ZINC000831486586 706717259 /nfs/dbraw/zinc/71/72/59/706717259.db2.gz VLJRINJZQZZNOL-HNNXBMFYSA-N 1 0 307.325 1.787 20 5 DDBDRO Cc1ccc(-c2noc([C@@H](N)CC[NH+](C)C)n2)cc1[N+](=O)[O-] ZINC000844913513 703084241 /nfs/dbraw/zinc/08/42/41/703084241.db2.gz XOCXRNCXLCAFBX-NSHDSACASA-N 1 0 305.338 1.905 20 5 DDBDRO [NH3+][C@@H]1CN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC[C@H]1F ZINC000851649149 703822429 /nfs/dbraw/zinc/82/24/29/703822429.db2.gz UAZWOEUHFFDSLC-NXEZZACHSA-N 1 0 301.705 1.760 20 5 DDBDRO Cc1noc(CN2CCC(C3(C)OCCO3)CC2)c1[N+](=O)[O-] ZINC000851853496 703871444 /nfs/dbraw/zinc/87/14/44/703871444.db2.gz JACHWQZQSKBRPJ-UHFFFAOYSA-N 1 0 311.338 1.866 20 5 DDBDRO CC1CCN(CC[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000818957581 704034808 /nfs/dbraw/zinc/03/48/08/704034808.db2.gz UAKLABKTGKKILR-INIZCTEOSA-N 1 0 307.394 1.950 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000818972942 704038875 /nfs/dbraw/zinc/03/88/75/704038875.db2.gz PHWLLUZTRRYJAF-MLGOLLRUSA-N 1 0 305.378 1.702 20 5 DDBDRO C[C@H]([C@H](C)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)N1CCOCC1 ZINC000819019776 704052728 /nfs/dbraw/zinc/05/27/28/704052728.db2.gz RLNSIENBBYZDPW-WOSRLPQWSA-N 1 0 323.393 1.327 20 5 DDBDRO C[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H](C)N1CCOCC1 ZINC000819019826 704052791 /nfs/dbraw/zinc/05/27/91/704052791.db2.gz CXJCRDNFOZAUAA-HEHGZKQESA-N 1 0 323.393 1.327 20 5 DDBDRO CC1(O)CCC([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000819133404 704074216 /nfs/dbraw/zinc/07/42/16/704074216.db2.gz QIPHKKROJCAEAB-UYJPIKCFSA-N 1 0 324.377 1.618 20 5 DDBDRO CC1(C)OC[C@H](C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])O1 ZINC000819156874 704077928 /nfs/dbraw/zinc/07/79/28/704077928.db2.gz ZPSPBSJNBXLTRJ-NSHDSACASA-N 1 0 323.349 1.665 20 5 DDBDRO CCNC(=O)N1CC[C@@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819160932 704078461 /nfs/dbraw/zinc/07/84/61/704078461.db2.gz NUAIJFIRMIYMBX-OCCSQVGLSA-N 1 0 322.365 1.022 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CC2(N3CCOCC3)CC2)c1 ZINC000819264855 704097075 /nfs/dbraw/zinc/09/70/75/704097075.db2.gz HIVQXOHKIAESRJ-HNNXBMFYSA-N 1 0 321.377 1.083 20 5 DDBDRO Cc1ccc([C@@H](C)NC(=O)C2=NO[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000852852661 704148524 /nfs/dbraw/zinc/14/85/24/704148524.db2.gz DTCXADNNIQJEBN-MWLCHTKSSA-N 1 0 306.322 1.184 20 5 DDBDRO Cc1ccc(NCCCNC(=O)C[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000820188183 704238179 /nfs/dbraw/zinc/23/81/79/704238179.db2.gz GRSKNQKFZODAGT-UHFFFAOYSA-N 1 0 320.393 1.917 20 5 DDBDRO C[C@@]12COC[C@H]1C[N@H+](Cn1ncc3cc([N+](=O)[O-])ccc31)C2 ZINC000853565543 704271961 /nfs/dbraw/zinc/27/19/61/704271961.db2.gz HBZNGGOPEKKTDR-IUODEOHRSA-N 1 0 302.334 1.870 20 5 DDBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000820504301 704291671 /nfs/dbraw/zinc/29/16/71/704291671.db2.gz SXRIVKNIPZKBNM-PELKAZGASA-N 1 0 310.329 1.481 20 5 DDBDRO Nc1ccc([N+](=O)[O-])c(N2CCC([N@@H+]3CC[C@H](O)C3)CC2)c1 ZINC000853965042 704341513 /nfs/dbraw/zinc/34/15/13/704341513.db2.gz CWTZKGAOCCEMDJ-ZDUSSCGKSA-N 1 0 306.366 1.212 20 5 DDBDRO O=[N+]([O-])c1ccc(-c2noc(-c3c[nH]nc3[C@@H]3CC[NH2+]C3)n2)o1 ZINC000854161316 704363777 /nfs/dbraw/zinc/36/37/77/704363777.db2.gz WJCJWNRBVMHXJV-SSDOTTSWSA-N 1 0 316.277 1.705 20 5 DDBDRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000855165889 704471858 /nfs/dbraw/zinc/47/18/58/704471858.db2.gz ZTRFKZQOFIPPEU-VIFPVBQESA-N 1 0 324.356 1.919 20 5 DDBDRO C[C@@H](CCC[NH3+])NC(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857765205 704622204 /nfs/dbraw/zinc/62/22/04/704622204.db2.gz BJMXSEMFQLLTDB-VIFPVBQESA-N 1 0 317.292 1.810 20 5 DDBDRO CN(CCOCC[NH3+])C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000859617197 704952210 /nfs/dbraw/zinc/95/22/10/704952210.db2.gz XBGGPWDZPGYHKN-UHFFFAOYSA-N 1 0 316.745 1.687 20 5 DDBDRO COc1cc(Cc2noc(C[C@@H](C[NH3+])OC)n2)ccc1[N+](=O)[O-] ZINC000822863418 705063791 /nfs/dbraw/zinc/06/37/91/705063791.db2.gz RTHYSPHQUJAIBD-JTQLQIEISA-N 1 0 322.321 1.093 20 5 DDBDRO Cc1nc([N+](=O)[O-])c(-c2noc([C@@H]3C[C@H](C)CC[NH2+]3)n2)n1C ZINC000823094628 705138012 /nfs/dbraw/zinc/13/80/12/705138012.db2.gz RTGBHTQVGBPBBX-APPZFPTMSA-N 1 0 306.326 1.747 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000874842458 705197702 /nfs/dbraw/zinc/19/77/02/705197702.db2.gz HSLDRILZNQFZLX-STQMWFEESA-N 1 0 321.381 1.185 20 5 DDBDRO CC[NH+]1CCC(CNC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000825400554 705662636 /nfs/dbraw/zinc/66/26/36/705662636.db2.gz QLPBUTUTDRFKMY-HNNXBMFYSA-N 1 0 321.377 1.476 20 5 DDBDRO CC[NH+]1CCC(N(C)C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000825614933 705703147 /nfs/dbraw/zinc/70/31/47/705703147.db2.gz BVNOPVVAVUUGES-HNNXBMFYSA-N 1 0 321.377 1.571 20 5 DDBDRO CCC1([NH+]2CCOCC2)CCN(Cn2nccc2[N+](=O)[O-])CC1 ZINC000863327769 705903110 /nfs/dbraw/zinc/90/31/10/705903110.db2.gz VIEFDSQJFSBRTI-UHFFFAOYSA-N 1 0 323.397 1.326 20 5 DDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@@H](O)c3ccc(F)cc3)C2)c1 ZINC000876880448 705905207 /nfs/dbraw/zinc/90/52/07/705905207.db2.gz JLIQTAIITMMOAZ-SSDMNJCBSA-N 1 0 320.324 1.957 20 5 DDBDRO COc1ccc(NC(=O)[C@H](C)N(C)C[C@@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000863566250 705959692 /nfs/dbraw/zinc/95/96/92/705959692.db2.gz FXITWPNQLKUYMK-ZJUUUORDSA-N 1 0 310.354 1.209 20 5 DDBDRO COc1ccc(NC(=O)[C@@H](C)N(C)C[C@@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000863566247 705959705 /nfs/dbraw/zinc/95/97/05/705959705.db2.gz FXITWPNQLKUYMK-NXEZZACHSA-N 1 0 310.354 1.209 20 5 DDBDRO C[N@@H+]1CC[C@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3N)CC[C@@H]21 ZINC000827278209 705967332 /nfs/dbraw/zinc/96/73/32/705967332.db2.gz VDUYPHRLGNACGD-HZMBPMFUSA-N 1 0 304.350 1.343 20 5 DDBDRO C[C@@H]1CC[C@H](NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)C[NH2+]1 ZINC000877050201 705972207 /nfs/dbraw/zinc/97/22/07/705972207.db2.gz YZUSFMMQAKLMRG-ZJUUUORDSA-N 1 0 311.313 1.369 20 5 DDBDRO CCc1n[nH]c(C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000827328920 705976400 /nfs/dbraw/zinc/97/64/00/705976400.db2.gz FTMIGKANZPNMFK-ONGXEEELSA-N 1 0 307.354 1.047 20 5 DDBDRO C[C@H]1CN(C2CC2)C[C@@H]1[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877094606 705981450 /nfs/dbraw/zinc/98/14/50/705981450.db2.gz LBDFFLVIPTUFTA-LFBRFLDLSA-N 1 0 305.382 1.567 20 5 DDBDRO C[C@@](O)(C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)C(F)(F)F ZINC000877121210 705990117 /nfs/dbraw/zinc/99/01/17/705990117.db2.gz QGEYEMNIXJWVSI-SFVIPPHHSA-N 1 0 308.260 1.398 20 5 DDBDRO C[C@H](CC[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)[S@@](C)=O ZINC000877161469 706002661 /nfs/dbraw/zinc/00/26/61/706002661.db2.gz MAKXUKYZLBULOX-SMPBRNSDSA-N 1 0 300.384 1.242 20 5 DDBDRO Cn1c(C(=O)N[C@H]2CCCCC23CC[NH2+]CC3)ccc1[N+](=O)[O-] ZINC000877405594 706098039 /nfs/dbraw/zinc/09/80/39/706098039.db2.gz JYBDKKTYOUDDLO-ZDUSSCGKSA-N 1 0 320.393 1.976 20 5 DDBDRO COC[C@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)C1CCOCC1 ZINC000877621798 706161956 /nfs/dbraw/zinc/16/19/56/706161956.db2.gz AGSWAQYPYSKZTG-PIMMBPRGSA-N 1 0 324.381 1.526 20 5 DDBDRO C[N@@H+]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1C(=O)NC1CC1 ZINC000881846503 707391350 /nfs/dbraw/zinc/39/13/50/707391350.db2.gz LNGNWQKKNJUSIN-CYBMUJFWSA-N 1 0 318.377 1.993 20 5 DDBDRO CC(C)[NH+]1CCN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])CC1 ZINC000864802278 706268835 /nfs/dbraw/zinc/26/88/35/706268835.db2.gz GODXTFJRMPIBND-UHFFFAOYSA-N 1 0 309.341 1.829 20 5 DDBDRO O=[N+]([O-])c1ccc(Cl)c(CN2[C@H](CO)CC[C@H]2CO)c1 ZINC000878883643 706524610 /nfs/dbraw/zinc/52/46/10/706524610.db2.gz YXMGHAMKUVPTFX-RYUDHWBXSA-N 1 0 300.742 1.566 20 5 DDBDRO C[NH+](C)C[C@]1(O)CCCN(c2nc3ccccn3c2[N+](=O)[O-])C1 ZINC000865925766 706565651 /nfs/dbraw/zinc/56/56/51/706565651.db2.gz MUHYHKMDLDAXCC-OAHLLOKOSA-N 1 0 319.365 1.135 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(N[C@H]2CC[N@H+](CC(C)(C)O)C2)c1 ZINC000865996190 706588394 /nfs/dbraw/zinc/58/83/94/706588394.db2.gz CUYOVKSCOAIZKG-NSHDSACASA-N 1 0 309.366 1.861 20 5 DDBDRO CC(C)(O)[C@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000879963214 706835961 /nfs/dbraw/zinc/83/59/61/706835961.db2.gz HFZJRASPROHBAM-LBPRGKRZSA-N 1 0 309.366 1.239 20 5 DDBDRO O=[N+]([O-])c1cnn(CCN2CCC[C@H]([NH2+]C3CCOCC3)C2)c1 ZINC000880204093 706909716 /nfs/dbraw/zinc/90/97/16/706909716.db2.gz RSSHXWYGVBEIAS-AWEZNQCLSA-N 1 0 323.397 1.024 20 5 DDBDRO Cc1c(C(=O)N2CCC[C@@H](C[NH3+])C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000832451468 706916896 /nfs/dbraw/zinc/91/68/96/706916896.db2.gz CBAGWQSZMOEYPO-JTQLQIEISA-N 1 0 322.321 1.622 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC[C@@H](c3nccs3)C2)c1 ZINC000880318446 706939307 /nfs/dbraw/zinc/93/93/07/706939307.db2.gz ZEQFUSSTOJCZJY-PWSUYJOCSA-N 1 0 323.378 1.098 20 5 DDBDRO C[NH2+]C1CCN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000832675283 706961088 /nfs/dbraw/zinc/96/10/88/706961088.db2.gz MHCSFLMDJIFUJP-UHFFFAOYSA-N 1 0 317.349 1.155 20 5 DDBDRO NC(=O)C[N@H+](CCc1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000880392732 706962091 /nfs/dbraw/zinc/96/20/91/706962091.db2.gz JHIGORMMVAWRII-UHFFFAOYSA-N 1 0 307.350 1.104 20 5 DDBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CCC2(C[NH+](C)C2)C1 ZINC000834522079 707080567 /nfs/dbraw/zinc/08/05/67/707080567.db2.gz FEUQUUHFQCTWGD-UHFFFAOYSA-N 1 0 307.325 1.820 20 5 DDBDRO C[C@H](CCC[NH3+])NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000834813326 707126993 /nfs/dbraw/zinc/12/69/93/707126993.db2.gz LCMWOLIHQUPYNG-SNVBAGLBSA-N 1 0 305.338 1.188 20 5 DDBDRO C[C@@H]([NH2+]C[C@@H]1CCS(=O)(=O)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872019339 707281590 /nfs/dbraw/zinc/28/15/90/707281590.db2.gz WBXPFASTVMMYIX-ZJUUUORDSA-N 1 0 316.354 1.819 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@H]2CCCn3nccc32)c1 ZINC000872243130 707345741 /nfs/dbraw/zinc/34/57/41/707345741.db2.gz SRULVIGMQFMBDL-ZFWWWQNUSA-N 1 0 302.334 1.949 20 5 DDBDRO Cc1ccc(NC(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)cc1[N+](=O)[O-] ZINC000873299030 707803479 /nfs/dbraw/zinc/80/34/79/707803479.db2.gz SOIUPNDQRXASRB-XHDPSFHLSA-N 1 0 304.350 1.976 20 5 DDBDRO C/C=C\C[C@@H](CO)[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000883090109 707922704 /nfs/dbraw/zinc/92/27/04/707922704.db2.gz CGNSGSZXCHETKL-DLGQBQFBSA-N 1 0 308.334 1.783 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N(C)CCN2CC[NH2+]CC2)c1C ZINC000884027712 708108541 /nfs/dbraw/zinc/10/85/41/708108541.db2.gz KTTLNOVNKZTQDX-UHFFFAOYSA-N 1 0 320.393 1.189 20 5 DDBDRO CN(C(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2)[C@@H]1CC[NH2+]C1 ZINC000884028668 708108903 /nfs/dbraw/zinc/10/89/03/708108903.db2.gz NTFMRRQOUZXRIU-SNVBAGLBSA-N 1 0 321.333 1.190 20 5 DDBDRO C[N@@H+]1C[C@@H]2CN(c3ccc4ncc([N+](=O)[O-])n4n3)C[C@]2(C)C1 ZINC000896914717 708181694 /nfs/dbraw/zinc/18/16/94/708181694.db2.gz QCMVRPJSZLQMFE-YGRLFVJLSA-N 1 0 302.338 1.025 20 5 DDBDRO COC(=O)c1cnc(N2CCC23CC[NH+](C)CC3)c([N+](=O)[O-])c1 ZINC000897134148 708236893 /nfs/dbraw/zinc/23/68/93/708236893.db2.gz YQCGTVFKOPXXAL-UHFFFAOYSA-N 1 0 320.349 1.451 20 5 DDBDRO C[C@H](C[NH2+][C@H]1CCCS(=O)(=O)C1)c1ccccc1[N+](=O)[O-] ZINC000897463967 708339550 /nfs/dbraw/zinc/33/95/50/708339550.db2.gz DKPKORRPFJNYHW-NEPJUHHUSA-N 1 0 312.391 1.865 20 5 DDBDRO Cn1cc(C[C@H]2CC[N@H+](Cc3cccnc3[N+](=O)[O-])C2)cn1 ZINC000886030126 708684990 /nfs/dbraw/zinc/68/49/90/708684990.db2.gz GWKBFGCEBCBNCQ-GFCCVEGCSA-N 1 0 301.350 1.788 20 5 DDBDRO CC[NH+](CC)CCO[C@@H]1CCN(Cc2cccnc2[N+](=O)[O-])C1 ZINC000886030295 708685071 /nfs/dbraw/zinc/68/50/71/708685071.db2.gz ITTPDVFKTDVKAX-OAHLLOKOSA-N 1 0 322.409 1.923 20 5 DDBDRO COc1ccc(C[NH2+][C@H](CO)C[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000886226913 708719441 /nfs/dbraw/zinc/71/94/41/708719441.db2.gz TWOYEDMONJSYHR-QWHCGFSZSA-N 1 0 310.350 1.623 20 5 DDBDRO [NH3+][C@H]1CCO[C@@H](C2CCN(Cc3cccnc3[N+](=O)[O-])CC2)C1 ZINC000886839510 708859049 /nfs/dbraw/zinc/85/90/49/708859049.db2.gz GGXUSUGGHICDIE-LSDHHAIUSA-N 1 0 320.393 1.708 20 5 DDBDRO CCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@@H]1CC[NH2+]C1 ZINC000886858056 708867142 /nfs/dbraw/zinc/86/71/42/708867142.db2.gz KPJRLGFYRARTAC-CYBMUJFWSA-N 1 0 306.366 1.526 20 5 DDBDRO COc1c(C(=O)N2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)cccc1[N+](=O)[O-] ZINC000887926380 709166304 /nfs/dbraw/zinc/16/63/04/709166304.db2.gz HDBPGZONABZLEY-MEDUHNTESA-N 1 0 319.361 1.627 20 5 DDBDRO C[N@@H+]1C[C@@H]2CN(C(=O)c3cccc([N+](=O)[O-])c3N)C[C@]2(C)C1 ZINC000887932081 709169688 /nfs/dbraw/zinc/16/96/88/709169688.db2.gz UNQKLGKNWUIXGJ-BMIGLBTASA-N 1 0 304.350 1.201 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccnn1CC[NH+](C)C ZINC000899910588 709234982 /nfs/dbraw/zinc/23/49/82/709234982.db2.gz IWYNDSBAJGGGIO-UHFFFAOYSA-N 1 0 317.349 1.914 20 5 DDBDRO CNc1c(C(=O)N2CCC23CC[NH+](C)CC3)cccc1[N+](=O)[O-] ZINC000889222875 709463946 /nfs/dbraw/zinc/46/39/46/709463946.db2.gz DNIKLLSCVFVMFJ-UHFFFAOYSA-N 1 0 318.377 1.947 20 5 DDBDRO CC(C)(CCC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12)[N+](=O)[O-] ZINC000928084739 713122038 /nfs/dbraw/zinc/12/20/38/713122038.db2.gz XPRKLSFGLPZEPD-NEPJUHHUSA-N 1 0 315.439 1.518 20 5 DDBDRO C[NH+](C)C[C@H](O)CNc1c2cc(F)ccc2ncc1[N+](=O)[O-] ZINC000891745996 710282466 /nfs/dbraw/zinc/28/24/66/710282466.db2.gz OTUIPBUXIHEZAV-SNVBAGLBSA-N 1 0 308.313 1.038 20 5 DDBDRO C[NH2+][C@@H]1CCCN(C(=O)NCc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000892536895 710454028 /nfs/dbraw/zinc/45/40/28/710454028.db2.gz LLODHWNMCUPFKJ-CYBMUJFWSA-N 1 0 306.366 1.797 20 5 DDBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000892936689 710528185 /nfs/dbraw/zinc/52/81/85/710528185.db2.gz KTHDLWUHOGUACG-WCQYABFASA-N 1 0 312.391 1.550 20 5 DDBDRO CS[C@H]1CN(c2c([N+](=O)[O-])cnn2C)C[C@@H]1[NH+]1CCCC1 ZINC000893248866 710579373 /nfs/dbraw/zinc/57/93/73/710579373.db2.gz PYHLFTOZPVHTEE-RYUDHWBXSA-N 1 0 311.411 1.344 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000928438952 713196527 /nfs/dbraw/zinc/19/65/27/713196527.db2.gz VFZNLKJHLJPXBT-GHMZBOCLSA-N 1 0 307.350 1.816 20 5 DDBDRO COc1c(O)ccc(CN2C[C@H](C)[N@H+](C)C[C@H]2C)c1[N+](=O)[O-] ZINC000893668094 710769743 /nfs/dbraw/zinc/76/97/43/710769743.db2.gz CXBDJEYSERJQBN-WDEREUQCSA-N 1 0 309.366 1.833 20 5 DDBDRO CNc1ccc([N+](=O)[O-])cc1NC(=O)C1CN(C)CC[N@H+](C)C1 ZINC000911502693 710826129 /nfs/dbraw/zinc/82/61/29/710826129.db2.gz SWQIFPMBFBTQPK-UHFFFAOYSA-N 1 0 321.381 1.068 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000902806553 710907318 /nfs/dbraw/zinc/90/73/18/710907318.db2.gz LXOYNBGDWASQGO-HUUCEWRRSA-N 1 0 306.366 1.347 20 5 DDBDRO CN(C(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000911693192 710934119 /nfs/dbraw/zinc/93/41/19/710934119.db2.gz FQHVGHZIEPAGMA-LSDHHAIUSA-N 1 0 303.362 1.909 20 5 DDBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@]2(CO)COCCN2C)cc1[N+](=O)[O-] ZINC000903285921 711088960 /nfs/dbraw/zinc/08/89/60/711088960.db2.gz WTZZCEKOIZQUEN-CZUORRHYSA-N 1 0 323.393 1.247 20 5 DDBDRO Cn1nnnc1CCC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000903348654 711099919 /nfs/dbraw/zinc/09/99/19/711099919.db2.gz HYNODTFXKCMCIY-CQSZACIVSA-N 1 0 316.365 1.718 20 5 DDBDRO Cc1c(CNC(=O)N2CC[C@@H]3C[N@@H+](C)C[C@@H]32)cccc1[N+](=O)[O-] ZINC000894395848 711101726 /nfs/dbraw/zinc/10/17/26/711101726.db2.gz BZEASVCPSMRHBF-HIFRSBDPSA-N 1 0 318.377 1.749 20 5 DDBDRO [NH3+][C@@H]1CN(CCn2cc([N+](=O)[O-])cn2)CC[C@H]1C(F)(F)F ZINC000903540061 711178936 /nfs/dbraw/zinc/17/89/36/711178936.db2.gz MEYFLMSUYCEWBX-NXEZZACHSA-N 1 0 307.276 1.003 20 5 DDBDRO COCC[C@@H]1C[NH2+]CCN1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000903831975 711295165 /nfs/dbraw/zinc/29/51/65/711295165.db2.gz YBBNTFKTQOMJIL-CYBMUJFWSA-N 1 0 309.366 1.414 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@@]12CC[NH2+]C2 ZINC000903862586 711307289 /nfs/dbraw/zinc/30/72/89/711307289.db2.gz ABGYQJQNOYYDSW-INIZCTEOSA-N 1 0 318.377 1.670 20 5 DDBDRO Cc1cc(NCCN2CCC3(C2)OCCO3)c([N+](=O)[O-])s1 ZINC000895252566 711467285 /nfs/dbraw/zinc/46/72/85/711467285.db2.gz OYEXTSTVVNQEEL-UHFFFAOYSA-N 1 0 313.379 1.825 20 5 DDBDRO COc1c(O)ccc(C[N@@H+]2CC[C@@H]3COC[C@H]3C2)c1[N+](=O)[O-] ZINC000895444178 711513908 /nfs/dbraw/zinc/51/39/08/711513908.db2.gz RFGFWHZJYRQKMC-VXGBXAGGSA-N 1 0 308.334 1.777 20 5 DDBDRO COc1c(O)ccc(C[NH2+][C@H]2CO[C@@H](C3CC3)C2)c1[N+](=O)[O-] ZINC000895633329 711565445 /nfs/dbraw/zinc/56/54/45/711565445.db2.gz BSOFHJWVBIYWJB-DGCLKSJQSA-N 1 0 308.334 1.966 20 5 DDBDRO C[C@@H]1[C@@H](Nc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000895737534 711590807 /nfs/dbraw/zinc/59/08/07/711590807.db2.gz AZFLAUXCEGRXHF-MFKMUULPSA-N 1 0 318.377 1.992 20 5 DDBDRO C[C@H]1[C@@H](Nc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000895737532 711590917 /nfs/dbraw/zinc/59/09/17/711590917.db2.gz AZFLAUXCEGRXHF-GWCFXTLKSA-N 1 0 318.377 1.992 20 5 DDBDRO C[C@H]1[C@H](Nc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC[N@@H+]1C ZINC000895739553 711591813 /nfs/dbraw/zinc/59/18/13/711591813.db2.gz GWAMZUUMLUEGIS-DTWKUNHWSA-N 1 0 306.322 1.430 20 5 DDBDRO C[C@H](NC(=O)C1C[NH+]([C@H]2CCOC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000895783210 711605207 /nfs/dbraw/zinc/60/52/07/711605207.db2.gz RSRMLXHDIQLSQL-NHYWBVRUSA-N 1 0 319.361 1.493 20 5 DDBDRO O=[N+]([O-])c1ccc(F)cc1CCc1nc(N2CC[NH2+]CC2)no1 ZINC000904740691 711888519 /nfs/dbraw/zinc/88/85/19/711888519.db2.gz MTVMGAACVVLWEL-UHFFFAOYSA-N 1 0 321.312 1.312 20 5 DDBDRO O=[N+]([O-])CC[NH2+]C[C@@H](CO)Cc1cccc(Br)c1 ZINC000905368193 712018194 /nfs/dbraw/zinc/01/81/94/712018194.db2.gz YSOYQBJZIIZJOW-NSHDSACASA-N 1 0 317.183 1.466 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]Cc2ccc(CCO)cc2)c1 ZINC000905696588 712122281 /nfs/dbraw/zinc/12/22/81/712122281.db2.gz PIBOIHFCSTXYOL-QGZVFWFLSA-N 1 0 316.357 1.953 20 5 DDBDRO O=C(NC[C@@H]1CCC[NH2+]C1)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000906633973 712374753 /nfs/dbraw/zinc/37/47/53/712374753.db2.gz MTLPWYKIPWZGGB-DFBGVHRSSA-N 1 0 303.362 1.814 20 5 DDBDRO CC[C@@H](CO)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000916570893 713458282 /nfs/dbraw/zinc/45/82/82/713458282.db2.gz ZXHZYEJDCMXIAO-QMMMGPOBSA-N 1 0 301.730 1.547 20 5 DDBDRO C[NH+]1CCC(NC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC000929435160 713609649 /nfs/dbraw/zinc/60/96/49/713609649.db2.gz BHWPERJRJJPBON-HUUCEWRRSA-N 1 0 303.362 1.909 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[C@H]([NH+](C)C)[C@H]2C)c1 ZINC000931038713 713988188 /nfs/dbraw/zinc/98/81/88/713988188.db2.gz RYDILZWRALGNMK-RISCZKNCSA-N 1 0 321.377 1.906 20 5 DDBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000931046198 713990124 /nfs/dbraw/zinc/99/01/24/713990124.db2.gz SPPLQYAHOMAXDC-ZWNOBZJWSA-N 1 0 306.366 1.218 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C[C@@H]2C1 ZINC000931435389 714096736 /nfs/dbraw/zinc/09/67/36/714096736.db2.gz ACICZPARHJHDPL-YPMHNXCESA-N 1 0 320.349 1.887 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000931721894 714168704 /nfs/dbraw/zinc/16/87/04/714168704.db2.gz WPQWWTOELQBWDM-NUEKZKHPSA-N 1 0 305.378 1.797 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000923281343 714296435 /nfs/dbraw/zinc/29/64/35/714296435.db2.gz PEZGXCBWOPZBDO-DZGCQCFKSA-N 1 0 303.362 1.832 20 5 DDBDRO C[C@@H]1CN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H](C)[NH2+]1 ZINC000923286792 714297753 /nfs/dbraw/zinc/29/77/53/714297753.db2.gz PCZABFKHFGRYKO-SCRDCRAPSA-N 1 0 309.366 1.017 20 5 DDBDRO CCCN(C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000923288280 714298646 /nfs/dbraw/zinc/29/86/46/714298646.db2.gz ZMPDGZKYQPYBKU-ZIAGYGMSSA-N 1 0 323.393 1.408 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCN(CCC[NH2+]C3CC3)CC2)cc1 ZINC000923298696 714302147 /nfs/dbraw/zinc/30/21/47/714302147.db2.gz JVYRWXHDJWYSER-UHFFFAOYSA-N 1 0 304.394 1.859 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC2(CC[NH2+]2)CC1 ZINC000923382818 714336005 /nfs/dbraw/zinc/33/60/05/714336005.db2.gz WGRDBALBUZRKFL-CYBMUJFWSA-N 1 0 321.377 1.162 20 5 DDBDRO [NH3+]CC12CCC(CC1)CN2C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000923392846 714339827 /nfs/dbraw/zinc/33/98/27/714339827.db2.gz LFSUVZJXASQHTQ-NRAUKZCXSA-N 1 0 305.378 1.832 20 5 DDBDRO CCN(C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000923423544 714351145 /nfs/dbraw/zinc/35/11/45/714351145.db2.gz BREDDTXGIYARMU-QWHCGFSZSA-N 1 0 309.366 1.018 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1[C@H](C)C[NH2+][C@H](C)[C@@H]1C ZINC000923442180 714356915 /nfs/dbraw/zinc/35/69/15/714356915.db2.gz NINHJKPPAXLQAK-UPJWGTAASA-N 1 0 320.393 1.912 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000923457202 714362238 /nfs/dbraw/zinc/36/22/38/714362238.db2.gz HHUUEHJYJDJIGL-BFHYXJOUSA-N 1 0 321.377 1.018 20 5 DDBDRO COc1ccccc1NC(=O)[C@H]1CCC[N@H+](CC[N+](=O)[O-])C1 ZINC000932631791 714370403 /nfs/dbraw/zinc/37/04/03/714370403.db2.gz IHOASLAQCSZGSF-LBPRGKRZSA-N 1 0 307.350 1.622 20 5 DDBDRO CCC1(CC)CNC(=O)[C@H]1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000933291454 714556006 /nfs/dbraw/zinc/55/60/06/714556006.db2.gz XBBOSQRZNLTABP-CQSZACIVSA-N 1 0 321.377 1.868 20 5 DDBDRO C[N@H+](CC[N+](=O)[O-])C1(CNC(=O)OC(C)(C)C)CCOCC1 ZINC000933502069 714604831 /nfs/dbraw/zinc/60/48/31/714604831.db2.gz KVZKKZLYTXSXAB-UHFFFAOYSA-N 1 0 317.386 1.269 20 5 DDBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCO[C@@H]3COCC[C@@H]32)cc1 ZINC000933968242 714711123 /nfs/dbraw/zinc/71/11/23/714711123.db2.gz JAPJXAUENBILAL-JKSUJKDBSA-N 1 0 322.361 1.853 20 5 DDBDRO CN1CCN(Cc2cc(F)ccc2[N+](=O)[O-])CC[N@H+](C)CC1 ZINC000933995142 714717605 /nfs/dbraw/zinc/71/76/05/714717605.db2.gz AEDUVOXQWRMANH-UHFFFAOYSA-N 1 0 310.373 1.413 20 5 DDBDRO CC1(C)CN(C(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000934055514 714733062 /nfs/dbraw/zinc/73/30/62/714733062.db2.gz LETFYCHTNJJSHT-KGLIPLIRSA-N 1 0 303.362 1.909 20 5 DDBDRO COc1ccc(NC(=O)CN(C)[C@H]2CC[C@@H]2OC)c([N+](=O)[O-])c1 ZINC000934121146 714747345 /nfs/dbraw/zinc/74/73/45/714747345.db2.gz KOUPFODPQIFTKG-JSGCOSHPSA-N 1 0 323.349 1.651 20 5 DDBDRO O=[N+]([O-])c1cccc(F)c1CN1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000934258284 714777424 /nfs/dbraw/zinc/77/74/24/714777424.db2.gz CMKGNSJLIGXJAX-HZPDHXFCSA-N 1 0 323.368 1.765 20 5 DDBDRO C[C@H]1[C@@H](NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000925345680 714822549 /nfs/dbraw/zinc/82/25/49/714822549.db2.gz XRTKDYAZUDWVDN-WFASDCNBSA-N 1 0 320.393 1.871 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCCC[C@H]([C@@H]3CCOC3)C2)c1 ZINC000934832313 714912823 /nfs/dbraw/zinc/91/28/23/714912823.db2.gz AXMPUKYQDCYDRH-UONOGXRCSA-N 1 0 308.382 1.930 20 5 DDBDRO CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CC1 ZINC000957550318 715950771 /nfs/dbraw/zinc/95/07/71/715950771.db2.gz VGOHECLSDFASFE-ZIAGYGMSSA-N 1 0 309.410 1.766 20 5 DDBDRO CN(C[C@@H]1CC1(C)C)c1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001167090945 732555393 /nfs/dbraw/zinc/55/53/93/732555393.db2.gz FYCBPZHFNZFTDS-NSHDSACASA-N 1 0 320.397 1.277 20 5 DDBDRO O=C(/C=C\c1ccc[nH]1)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001126239050 738744326 /nfs/dbraw/zinc/74/43/26/738744326.db2.gz SDOOIPCVUUOLQE-ARJAWSKDSA-N 1 0 320.374 1.904 20 5 DDBDRO COC(=O)[C@@H](CCC[NH3+])Nc1ccc2cnccc2c1[N+](=O)[O-] ZINC001167899483 739210138 /nfs/dbraw/zinc/21/01/38/739210138.db2.gz NARURMPIAHVTMY-CYBMUJFWSA-N 1 0 318.333 1.835 20 5 DDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)[N@H+]2CC1=CCCCC1 ZINC001029304718 740550680 /nfs/dbraw/zinc/55/06/80/740550680.db2.gz HHONPVXIBCACKI-QKPAOTATSA-N 1 0 319.405 1.827 20 5 DDBDRO CC(C)c1ccccc1C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126938940 742887417 /nfs/dbraw/zinc/88/74/17/742887417.db2.gz OHDTVSGSULQTJZ-HUUCEWRRSA-N 1 0 305.378 1.681 20 5 DDBDRO Cc1nc(NC2CC[NH+](C[C@@H]3CCOC3)CC2)ncc1[N+](=O)[O-] ZINC001185429913 744221127 /nfs/dbraw/zinc/22/11/27/744221127.db2.gz NXQJYYBUDBXTQD-LBPRGKRZSA-N 1 0 321.381 1.606 20 5 DDBDRO CN1CCN(C(=[NH2+])Nc2cc3cc[nH]c3c([N+](=O)[O-])c2)CC1 ZINC001168736296 748451152 /nfs/dbraw/zinc/45/11/52/748451152.db2.gz DUFGJGCTAIWCKB-UHFFFAOYSA-N 1 0 302.338 1.670 20 5 DDBDRO Cc1nn(CCO)c(C)c1C[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC001202227007 748718532 /nfs/dbraw/zinc/71/85/32/748718532.db2.gz INQBFPAYXKIIDH-UHFFFAOYSA-N 1 0 318.377 1.733 20 5 DDBDRO CC(C)[N@H+](C)CC(=O)NC/C=C\CNc1ccc([N+](=O)[O-])cn1 ZINC001107234056 749664015 /nfs/dbraw/zinc/66/40/15/749664015.db2.gz WMEJFWXVVRDHJO-PLNGDYQASA-N 1 0 321.381 1.414 20 5 DDBDRO Cc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)no1 ZINC001034642330 750625024 /nfs/dbraw/zinc/62/50/24/750625024.db2.gz AQSYICAJBARPTN-HBJVGIJOSA-N 1 0 322.365 1.165 20 5 DDBDRO Cc1ccc([C@H](C)Nc2ncnc(C3C[NH2+]C3)c2[N+](=O)[O-])nc1 ZINC001168853266 762070573 /nfs/dbraw/zinc/07/05/73/762070573.db2.gz YLEAEIHQXGIPCX-JTQLQIEISA-N 1 0 314.349 1.948 20 5 DDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC2(CC[N@H+](CC3CCC3)C2)CC1 ZINC001035187208 751287779 /nfs/dbraw/zinc/28/77/79/751287779.db2.gz QGFDBTDEIIFYOY-HUUCEWRRSA-N 1 0 321.421 1.766 20 5 DDBDRO O=C(c1ccco1)N1CCC([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168977307 762147421 /nfs/dbraw/zinc/14/74/21/762147421.db2.gz JHMTYSFTIGIMDU-JSGCOSHPSA-N 1 0 321.377 1.919 20 5 DDBDRO CCOC(=O)c1ccnc(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001168969482 762158433 /nfs/dbraw/zinc/15/84/33/762158433.db2.gz FBAIKTQMOAFMMM-AAEUAGOBSA-N 1 0 307.350 1.793 20 5 DDBDRO O=C(C1CCC1)N1CCC([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168996558 762168896 /nfs/dbraw/zinc/16/88/96/762168896.db2.gz WAFSIWGBVMGHIX-IUODEOHRSA-N 1 0 309.410 1.813 20 5 DDBDRO [NH3+][C@H]1CC[C@H](N(c2ncccn2)[C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168998704 762170636 /nfs/dbraw/zinc/17/06/36/762170636.db2.gz QCMNRQLQQREJRA-ZQDZILKHSA-N 1 0 319.409 1.998 20 5 DDBDRO [NH3+][C@H]1CC[C@H](N(c2ncccn2)[C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168998701 762171059 /nfs/dbraw/zinc/17/10/59/762171059.db2.gz QCMNRQLQQREJRA-AJNGGQMLSA-N 1 0 319.409 1.998 20 5 DDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]C2CCN(c3ccncn3)CC2)C1 ZINC001168999690 762171762 /nfs/dbraw/zinc/17/17/62/762171762.db2.gz ULRJAKJAKOSNCN-JSGCOSHPSA-N 1 0 305.382 1.480 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCOC[C@](O)(C(F)(F)F)C2)C1 ZINC001169014419 762178974 /nfs/dbraw/zinc/17/89/74/762178974.db2.gz ZLZOUOGVAZSCLT-MXWKQRLJSA-N 1 0 312.288 1.057 20 5 DDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2ccccc2-n2cnnn2)C1 ZINC001168989843 762182322 /nfs/dbraw/zinc/18/23/22/762182322.db2.gz XAOBDNJLXRTTES-WCQYABFASA-N 1 0 302.338 1.197 20 5 DDBDRO Cc1cc(C)nc(N2CC[NH+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)n1 ZINC001169029652 762186345 /nfs/dbraw/zinc/18/63/45/762186345.db2.gz UXIWZTVSETUUEQ-GJZGRUSLSA-N 1 0 319.409 1.661 20 5 DDBDRO CC1(N2CCOCC2)CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169039270 762193544 /nfs/dbraw/zinc/19/35/44/762193544.db2.gz OZBOMVPYPYDUQL-HUUCEWRRSA-N 1 0 311.426 1.619 20 5 DDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CC(N3CCC(F)(F)CC3)C2)C1 ZINC001169038037 762192790 /nfs/dbraw/zinc/19/27/90/762192790.db2.gz VGKKMPAOXQLRHC-NWDGAFQWSA-N 1 0 303.353 1.847 20 5 DDBDRO O=[N+]([O-])c1cc(NCc2ncn3c2C[NH2+]CCC3)cnc1F ZINC001169243965 762307560 /nfs/dbraw/zinc/30/75/60/762307560.db2.gz WXJSBVFQTMQVRV-UHFFFAOYSA-N 1 0 306.301 1.431 20 5 DDBDRO CCOC(=O)C1(Nc2ccc([N+](=O)[O-])cn2)CC[NH+](C)CC1 ZINC001169490374 762477454 /nfs/dbraw/zinc/47/74/54/762477454.db2.gz GZYIUYQKPWBYCR-UHFFFAOYSA-N 1 0 308.338 1.429 20 5 DDBDRO CC[NH+](CC)CC(=O)N[C@H]1C[C@@H](Nc2ncccc2[N+](=O)[O-])C1 ZINC001097184826 756958075 /nfs/dbraw/zinc/95/80/75/756958075.db2.gz MANBGJZQNLAMPE-TXEJJXNPSA-N 1 0 321.381 1.391 20 5 DDBDRO Cc1nn(C)c(N2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001119983130 758167130 /nfs/dbraw/zinc/16/71/30/758167130.db2.gz PRQPDOYVZVWPMJ-XQQFMLRXSA-N 1 0 307.398 1.803 20 5 DDBDRO C[C@@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000823693111 758344022 /nfs/dbraw/zinc/34/40/22/758344022.db2.gz ZBGVVTRUEWHCJU-OLZOCXBDSA-N 1 0 323.397 1.513 20 5 DDBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CC[C@H]([NH+]2CCC2)C1 ZINC000828136913 759498118 /nfs/dbraw/zinc/49/81/18/759498118.db2.gz OBRRBVRZCBMHPJ-NSHDSACASA-N 1 0 307.325 1.963 20 5 DDBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)c1ccc[nH]1 ZINC001019983399 760383087 /nfs/dbraw/zinc/38/30/87/760383087.db2.gz YJOADNBBULVNDS-JOCQHMNTSA-N 1 0 314.345 1.974 20 5 DDBDRO Cc1ncccc1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001086083445 760943635 /nfs/dbraw/zinc/94/36/35/760943635.db2.gz YYLKSSJLJARPOH-FAAHXZRKSA-N 1 0 318.377 1.040 20 5 DDBDRO CC(C)(O)CC(=O)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001157273372 764752022 /nfs/dbraw/zinc/75/20/22/764752022.db2.gz BUGWIJCSMSXHAB-UHFFFAOYSA-N 1 0 309.366 1.352 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H](C)[C@H]2C[NH2+]CCO2)c1 ZINC001170575830 768240608 /nfs/dbraw/zinc/24/06/08/768240608.db2.gz SBGFBYORSCKABM-TVQRCGJNSA-N 1 0 309.322 1.170 20 5 DDBDRO COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2CCC(=O)N2)c([N+](=O)[O-])c1 ZINC001170297896 766227033 /nfs/dbraw/zinc/22/70/33/766227033.db2.gz VGNHAZRKWHZNIF-PWSUYJOCSA-N 1 0 307.350 1.403 20 5 DDBDRO COc1ccc(C[C@@H](C)[N@@H+]2CC[C@@H](NC(C)=O)C2)c([N+](=O)[O-])c1 ZINC001170354406 766260190 /nfs/dbraw/zinc/26/01/90/766260190.db2.gz KUXFFEQXLMAXRJ-BXUZGUMPSA-N 1 0 321.377 1.745 20 5 DDBDRO CC1(C)CC(C[N@H+]2C[C@H]3CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C[C@H]3C2)C1 ZINC001048814551 769933253 /nfs/dbraw/zinc/93/32/53/769933253.db2.gz RMQMIBBCIHSOKL-LXTVHRRPSA-N 1 0 321.421 1.478 20 5 DDBDRO CCOC(=O)c1cnc(NC[C@@H]2CCCC[NH2+]2)c([N+](=O)[O-])c1 ZINC001171326589 773411860 /nfs/dbraw/zinc/41/18/60/773411860.db2.gz BYWDMJILRJXEEU-NSHDSACASA-N 1 0 308.338 1.721 20 5 DDBDRO CC[N@H+](C)CCC(=O)NCCNc1ccc([N+](=O)[O-])c(C)c1 ZINC001093840794 775125242 /nfs/dbraw/zinc/12/52/42/775125242.db2.gz WWVFQDKQFXEXFF-UHFFFAOYSA-N 1 0 308.382 1.773 20 5 DDBDRO C[NH+](C)CC1(C(=O)NCCNc2cccc(F)c2[N+](=O)[O-])CC1 ZINC001094090033 775422787 /nfs/dbraw/zinc/42/27/87/775422787.db2.gz VALHOSXWPOIWRQ-UHFFFAOYSA-N 1 0 324.356 1.604 20 5 DDBDRO C[N@H+](CC(=O)NCCNc1ccc([N+](=O)[O-])cn1)CC(C)(C)C ZINC001094141380 775525574 /nfs/dbraw/zinc/52/55/74/775525574.db2.gz STVPTCMLJOKBPH-UHFFFAOYSA-N 1 0 323.397 1.496 20 5 DDBDRO CCN(CCNC(=O)C[NH+]1CCCC1)c1ncccc1[N+](=O)[O-] ZINC001100534592 776280535 /nfs/dbraw/zinc/28/05/35/776280535.db2.gz OMFZIUFLNFZPTR-UHFFFAOYSA-N 1 0 321.381 1.028 20 5 DDBDRO O=[N+]([O-])c1ccc(-c2nc(-c3ccc4c(n3)CC[NH2+]C4)no2)nc1 ZINC001212697261 776960872 /nfs/dbraw/zinc/96/08/72/776960872.db2.gz NHHCOODAVIFFRU-UHFFFAOYSA-N 1 0 324.300 1.748 20 5 DDBDRO COC(=O)[C@@H](CCC[NH3+])N[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173217794 777050088 /nfs/dbraw/zinc/05/00/88/777050088.db2.gz MGHXBVQNHIRTDF-SMDDNHRTSA-N 1 0 309.366 1.396 20 5 DDBDRO CC(=O)N1CC[C@H](C[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173220474 777052546 /nfs/dbraw/zinc/05/25/46/777052546.db2.gz CJDDYWVILHTTQJ-IUODEOHRSA-N 1 0 305.378 1.984 20 5 DDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCN([C@@H]2CCOC2)CC1 ZINC001173224864 777059409 /nfs/dbraw/zinc/05/94/09/777059409.db2.gz HLLUUNVAUXLRFI-WMLDXEAASA-N 1 0 319.405 1.932 20 5 DDBDRO CN(CCNc1ccccc1[N+](=O)[O-])C(=O)C12CC[NH+](CC1)C2 ZINC001101696982 777403877 /nfs/dbraw/zinc/40/38/77/777403877.db2.gz NYOWOEFZOBLNCS-UHFFFAOYSA-N 1 0 318.377 1.561 20 5 DDBDRO CN(CCNc1ccccc1[N+](=O)[O-])C(=O)CCC[NH+](C)C ZINC001101939056 777702444 /nfs/dbraw/zinc/70/24/44/777702444.db2.gz PVHCZSIRPSRIOQ-UHFFFAOYSA-N 1 0 308.382 1.807 20 5 DDBDRO CCC[N@H+](C)CC(=O)NCC1(Nc2ncccc2[N+](=O)[O-])CC1 ZINC001110193774 778067552 /nfs/dbraw/zinc/06/75/52/778067552.db2.gz XITSGDVAXPSAMF-UHFFFAOYSA-N 1 0 321.381 1.392 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccc2c[nH+]cn2c1 ZINC001179304647 779330424 /nfs/dbraw/zinc/33/04/24/779330424.db2.gz VATKUBSHJWVFPD-UHFFFAOYSA-N 1 0 314.305 1.776 20 5 DDBDRO CC(=O)CCCC(=O)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001154575177 861233143 /nfs/dbraw/zinc/23/31/43/861233143.db2.gz DUVGOMNWLIGWCU-UHFFFAOYSA-N 1 0 321.377 1.950 20 5 DDBDRO O=C(Cn1cccn1)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001154599652 861262009 /nfs/dbraw/zinc/26/20/09/861262009.db2.gz HXOQJABHPMGIDW-UHFFFAOYSA-N 1 0 317.349 1.087 20 5 DDBDRO C[NH+](C)C[C@H]1COCCN1c1ncc([N+](=O)[O-])cc1Cl ZINC001154962446 861605395 /nfs/dbraw/zinc/60/53/95/861605395.db2.gz SENALWJEKTXADG-JTQLQIEISA-N 1 0 300.746 1.410 20 5 DDBDRO C[NH+](C)C[C@@H]1COCCN1c1ncnc2cc([N+](=O)[O-])ccc21 ZINC001154970045 861612623 /nfs/dbraw/zinc/61/26/23/861612623.db2.gz VGAGSQMXLGIQEL-GFCCVEGCSA-N 1 0 317.349 1.305 20 5 DDBDRO C[NH2+][C@@H](C)CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC001326832676 861642665 /nfs/dbraw/zinc/64/26/65/861642665.db2.gz MYIAEXBDRQHPPM-VIFPVBQESA-N 1 0 309.322 1.094 20 5 DDBDRO O=C(NCCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1cn[nH]c1 ZINC001155017003 861650078 /nfs/dbraw/zinc/65/00/78/861650078.db2.gz WMTRUDYAAQFFJK-UHFFFAOYSA-N 1 0 303.322 1.228 20 5 DDBDRO O=[N+]([O-])c1c(Cl)nc(Cl)nc1NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC001155033487 861663257 /nfs/dbraw/zinc/66/32/57/861663257.db2.gz HRENVONTLNSRIK-WHFBIAKZSA-N 1 0 310.116 1.804 20 5 DDBDRO CCOC1(OCC)CC[NH2+]C[C@@H]1Nc1ccc([N+](=O)[O-])c(C)n1 ZINC001155225255 861862451 /nfs/dbraw/zinc/86/24/51/861862451.db2.gz QAOGXAYLNLRUGI-ZDUSSCGKSA-N 1 0 324.381 1.841 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(N[C@H]2COCCC23C[NH2+]C3)nc1Cl ZINC001155462767 862113578 /nfs/dbraw/zinc/11/35/78/862113578.db2.gz URYIATJZJBIDRM-JTQLQIEISA-N 1 0 312.757 1.742 20 5 DDBDRO O=C1C[C@@H]2[NH2+]CC[C@@]2(Nc2ccc3cccc([N+](=O)[O-])c3n2)N1 ZINC001155568978 862236074 /nfs/dbraw/zinc/23/60/74/862236074.db2.gz DAOYUGLYPJADRH-XHDPSFHLSA-N 1 0 313.317 1.133 20 5 DDBDRO COc1nc(C)c([N+](=O)[O-])c(N[C@H]2CCO[C@@]3(CC[NH2+]C3)C2)n1 ZINC001155619805 862301094 /nfs/dbraw/zinc/30/10/94/862301094.db2.gz ITXAZSXDTCCIDB-HZMBPMFUSA-N 1 0 323.353 1.025 20 5 DDBDRO CC[N@@H+]1CCC[C@H](CNc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC001327616166 862320689 /nfs/dbraw/zinc/32/06/89/862320689.db2.gz KNTJAEAFWZBBBN-LLVKDONJSA-N 1 0 306.366 1.838 20 5 DDBDRO O=C(NC1(C[NH2+]CC2CCC2)CCCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001276199910 854947355 /nfs/dbraw/zinc/94/73/55/854947355.db2.gz HRSONECDQGWFLC-ZIAGYGMSSA-N 1 0 309.410 1.860 20 5 DDBDRO [NH3+]CC1(N(Cc2ccccc2)c2cccc([N+](=O)[O-])n2)COC1 ZINC001156633091 863211249 /nfs/dbraw/zinc/21/12/49/863211249.db2.gz YLNIVQZTYIFVAA-UHFFFAOYSA-N 1 0 314.345 1.724 20 5 DDBDRO COc1cc2ncnc(N3CCC[C@H]([NH3+])[C@@H]3C)c2cc1[N+](=O)[O-] ZINC001157739629 864089882 /nfs/dbraw/zinc/08/98/82/864089882.db2.gz DFHGMROEKMKXQR-ONGXEEELSA-N 1 0 317.349 1.863 20 5 DDBDRO Cc1ccccc1OCC[NH2+]CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157775681 864130743 /nfs/dbraw/zinc/13/07/43/864130743.db2.gz WGLPGZYHLUEHNB-ZIAGYGMSSA-N 1 0 321.377 1.135 20 5 DDBDRO [NH3+]CCc1cnn(-c2nc(Cl)c(Cl)cc2[N+](=O)[O-])c1 ZINC001158098370 864427681 /nfs/dbraw/zinc/42/76/81/864427681.db2.gz GRDPVOKSLQKKEO-UHFFFAOYSA-N 1 0 302.121 1.984 20 5 DDBDRO CCN(c1nc(NC(C)=O)nc(C)c1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC001158207431 864489823 /nfs/dbraw/zinc/48/98/23/864489823.db2.gz LBUFTDLVPLBHQP-LLVKDONJSA-N 1 0 322.369 1.230 20 5 DDBDRO [NH3+][C@@H](CO)Cc1cncn1-c1nccc2cc([N+](=O)[O-])ccc21 ZINC001158209283 864492310 /nfs/dbraw/zinc/49/23/10/864492310.db2.gz OVSMFPYVKGHSRC-LLVKDONJSA-N 1 0 313.317 1.191 20 5 DDBDRO COc1nc(-n2ncc3c2cccc3C[NH3+])ncc1[N+](=O)[O-] ZINC001158302326 864554222 /nfs/dbraw/zinc/55/42/22/864554222.db2.gz CARADCDTUIUSPL-UHFFFAOYSA-N 1 0 300.278 1.191 20 5 DDBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CC[N@@H+]2CC[C@@H]2C1 ZINC001158433928 864652663 /nfs/dbraw/zinc/65/26/63/864652663.db2.gz PUWMYHJYRPSINR-SNVBAGLBSA-N 1 0 306.322 1.061 20 5 DDBDRO C[NH2+][C@@H](C)CCNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001331466798 865102298 /nfs/dbraw/zinc/10/22/98/865102298.db2.gz ORPJIDOCNZRANS-VIFPVBQESA-N 1 0 320.353 1.268 20 5 DDBDRO O=[N+]([O-])c1c(Cl)ccc2nc(N[C@H]3C[NH2+]C[C@H]3CO)ccc21 ZINC001159680117 865466893 /nfs/dbraw/zinc/46/68/93/865466893.db2.gz YLGQCNQAZMQRSZ-UFBFGSQYSA-N 1 0 322.752 1.789 20 5 DDBDRO O=[N+]([O-])c1ccccc1-c1ccc(N[C@@H]2C[NH2+]C[C@H]2CO)nn1 ZINC001159680147 865467009 /nfs/dbraw/zinc/46/70/09/865467009.db2.gz GROBRPYYKTVGRH-GXFFZTMASA-N 1 0 315.333 1.044 20 5 DDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC001332151782 865616166 /nfs/dbraw/zinc/61/61/66/865616166.db2.gz FEKCYDMZSMHZOO-MRXNPFEDSA-N 1 0 318.377 1.852 20 5 DDBDRO Nc1cc(-n2nc(-c3ccncc3)cc2C[NH3+])ncc1[N+](=O)[O-] ZINC001160338904 865791868 /nfs/dbraw/zinc/79/18/68/865791868.db2.gz MZBRAECBWBKPCL-UHFFFAOYSA-N 1 0 311.305 1.278 20 5 DDBDRO CCOC(=O)c1ccnc(N[C@@H](C[NH3+])C(C)(C)C)c1[N+](=O)[O-] ZINC001160917120 866185718 /nfs/dbraw/zinc/18/57/18/866185718.db2.gz KNKVMUBDIKKUEB-JTQLQIEISA-N 1 0 310.354 1.952 20 5 DDBDRO O=[N+]([O-])c1cnc(NCCO[C@H]2CCCCO2)nc1C1C[NH2+]C1 ZINC001160925866 866191087 /nfs/dbraw/zinc/19/10/87/866191087.db2.gz DRZSYLLEDZSMFA-LBPRGKRZSA-N 1 0 323.353 1.027 20 5 DDBDRO Cc1ccc(C[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c(C)c1 ZINC001323440668 866611820 /nfs/dbraw/zinc/61/18/20/866611820.db2.gz BZOKKJXVMJXCHY-HUUCEWRRSA-N 1 0 317.389 1.707 20 5 DDBDRO COc1ccc(NCCCN2CC[NH+](C)CC2)nc1[N+](=O)[O-] ZINC001161700495 866902119 /nfs/dbraw/zinc/90/21/19/866902119.db2.gz FZKSKEFHXFKSBV-UHFFFAOYSA-N 1 0 309.370 1.048 20 5 DDBDRO CC[N+](C)(C)Cc1ccccc1NCCC(=O)N1CCOCC1 ZINC001161979589 867159863 /nfs/dbraw/zinc/15/98/63/867159863.db2.gz UJMHCVGJBQYLGY-UHFFFAOYSA-N 1 0 320.457 1.944 20 5 DDBDRO Nc1cc(-n2cncc2-c2cccc(C[NH3+])c2)ncc1[N+](=O)[O-] ZINC001162564591 867644842 /nfs/dbraw/zinc/64/48/42/867644842.db2.gz IQVJJHRMPFTMEH-UHFFFAOYSA-N 1 0 310.317 1.883 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])cnc1NC[C@@H]1CC[NH2+]C[C@@H]1F ZINC001162802449 867836325 /nfs/dbraw/zinc/83/63/25/867836325.db2.gz QYBVAZWWYKDPCA-KWQFWETISA-N 1 0 312.301 1.136 20 5 DDBDRO COc1cnc(Nc2ccc([C@H](C[NH3+])CO)cc2)c([N+](=O)[O-])c1 ZINC001163053060 868042204 /nfs/dbraw/zinc/04/22/04/868042204.db2.gz MANHPKZWIDFMEK-LLVKDONJSA-N 1 0 318.333 1.777 20 5 DDBDRO COc1ccc([N+](=O)[O-])nc1NC[C@@H]1OC[C@H]2C[NH2+]CC[C@H]21 ZINC001163169909 868182269 /nfs/dbraw/zinc/18/22/69/868182269.db2.gz APLKCOUVEDZOFZ-FOGDFJRCSA-N 1 0 308.338 1.035 20 5 DDBDRO COC(=O)c1c(C)c([N+](=O)[O-])ccc1NC[C@@]12C[NH2+][C@@H](CO1)C2 ZINC001163205992 868213976 /nfs/dbraw/zinc/21/39/76/868213976.db2.gz BMXQCJHCZHBCSV-MEBBXXQBSA-N 1 0 321.333 1.233 20 5 DDBDRO C[C@H](NC(=O)NC1(C[NH3+])CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC001335317535 868221286 /nfs/dbraw/zinc/22/12/86/868221286.db2.gz NNHDSONNRDEFEI-NSHDSACASA-N 1 0 322.365 1.463 20 5 DDBDRO C[NH2+]C[C@@H]1CCCCN1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC001335367199 868253693 /nfs/dbraw/zinc/25/36/93/868253693.db2.gz SLDZULCNHFLXGY-HNNXBMFYSA-N 1 0 320.393 1.921 20 5 DDBDRO COC[C@H]1C[NH2+]CCN1C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC001335369813 868254779 /nfs/dbraw/zinc/25/47/79/868254779.db2.gz YLMDTUXHNQBRQU-SMDDNHRTSA-N 1 0 322.365 1.286 20 5 DDBDRO COc1nc(NC[C@@H]2Cc3ccccc3C[NH2+]2)ncc1[N+](=O)[O-] ZINC001163269982 868288537 /nfs/dbraw/zinc/28/85/37/868288537.db2.gz IUEWUVMYJXEQSU-LBPRGKRZSA-N 1 0 315.333 1.520 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@@H]2C[C@H]2C(F)(F)F)c1 ZINC001335986230 868661040 /nfs/dbraw/zinc/66/10/40/868661040.db2.gz LFOKAYKKLBILFL-MVWJERBFSA-N 1 0 320.267 1.875 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ncc(Cl)cc1[N+](=O)[O-] ZINC001226130367 882222008 /nfs/dbraw/zinc/22/20/08/882222008.db2.gz LVRCMOOILBSVBA-SECBINFHSA-N 1 0 318.737 1.006 20 5 DDBDRO Cc1cc(C(F)(F)F)nc(OC(=O)C[C@@H](O)C[N+](C)(C)C)n1 ZINC001226171552 882249206 /nfs/dbraw/zinc/24/92/06/882249206.db2.gz CANRLQITDOALDK-SECBINFHSA-N 1 0 322.307 1.166 20 5 DDBDRO CN(c1ncnc2cc3ccccc3cc21)S(=O)(=O)CC[NH3+] ZINC001164292577 869093200 /nfs/dbraw/zinc/09/32/00/869093200.db2.gz RMAUGVBWONYATD-UHFFFAOYSA-N 1 0 316.386 1.508 20 5 DDBDRO CN(c1cc2cccnc2c2ncccc12)S(=O)(=O)CC[NH3+] ZINC001164297372 869097863 /nfs/dbraw/zinc/09/78/63/869097863.db2.gz UNEQGZAEFLBGPK-UHFFFAOYSA-N 1 0 316.386 1.508 20 5 DDBDRO Cc1cc(Cl)c(N(C)S(=O)(=O)CC[NH3+])c([N+](=O)[O-])c1 ZINC001164300162 869100309 /nfs/dbraw/zinc/10/03/09/869100309.db2.gz JKCPDHASFHTXBN-UHFFFAOYSA-N 1 0 307.759 1.281 20 5 DDBDRO C[C@H](NC(=O)NC[C@@H]1C[NH2+]C[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC001336946545 869229094 /nfs/dbraw/zinc/22/90/94/869229094.db2.gz KFUZJVLBGRYTJZ-WOPDTQHZSA-N 1 0 306.366 1.811 20 5 DDBDRO C[NH+](C)C[C@]12C[C@H]1CN(c1ncc([N+](=O)[O-])cc1[N+](=O)[O-])C2 ZINC001165185569 869419475 /nfs/dbraw/zinc/41/94/75/869419475.db2.gz ZAVUYHZSCQDQAQ-ZANVPECISA-N 1 0 307.310 1.286 20 5 DDBDRO C[N@H+](C1CN(c2nccc(Cl)c2[N+](=O)[O-])C1)[C@@H]1CCOC1 ZINC001165204105 869426230 /nfs/dbraw/zinc/42/62/30/869426230.db2.gz UDFUAOPTSRRWEJ-SECBINFHSA-N 1 0 312.757 1.553 20 5 DDBDRO COC(=O)c1ccnc(N2CC[C@@]3(C2)CCC[NH2+]C3)c1[N+](=O)[O-] ZINC001165238403 869458026 /nfs/dbraw/zinc/45/80/26/869458026.db2.gz ADJAAYMZCSLUAX-HNNXBMFYSA-N 1 0 320.349 1.356 20 5 DDBDRO O=[N+]([O-])c1ccc(-c2ccc(N3CC[C@@H]4[NH2+]CC[C@H]43)nn2)cc1 ZINC001165298610 869506264 /nfs/dbraw/zinc/50/62/64/869506264.db2.gz RTQFAGMRYPTALJ-LSDHHAIUSA-N 1 0 311.345 1.992 20 5 DDBDRO C[N@@H+]1C[C@@H]2CC[C@@H](Nc3nc4ccccn4c3[N+](=O)[O-])[C@H]2C1 ZINC001338161459 869841199 /nfs/dbraw/zinc/84/11/99/869841199.db2.gz CNOLYLVQGTYZJV-SDDRHHMPSA-N 1 0 301.350 1.995 20 5 DDBDRO C[N@@H+]1CCC[C@](O)(CC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001339085890 870337583 /nfs/dbraw/zinc/33/75/83/870337583.db2.gz HMYUFMZTQLKAOI-INIZCTEOSA-N 1 0 319.361 1.284 20 5 DDBDRO O=C1C[C@H]2CCC[C@@H](C1)N2c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001166907331 870357919 /nfs/dbraw/zinc/35/79/19/870357919.db2.gz UUZONEAYOYOCMF-PHIMTYICSA-N 1 0 317.349 1.162 20 5 DDBDRO [NH3+][C@H]1CCN(c2ncnc3cc([N+](=O)[O-])ccc32)CC1(F)F ZINC001166960007 870422757 /nfs/dbraw/zinc/42/27/57/870422757.db2.gz FTKRIFXLTRXIFR-NSHDSACASA-N 1 0 309.276 1.711 20 5 DDBDRO C[C@H](CNC(=O)CO[C@@H]1CCC[NH2+]C1)c1ccccc1[N+](=O)[O-] ZINC001341428698 871656450 /nfs/dbraw/zinc/65/64/50/871656450.db2.gz LPRCGUDWCLFJQY-CHWSQXEVSA-N 1 0 321.377 1.583 20 5 DDBDRO O=C(CCc1cc(F)ccc1[N+](=O)[O-])N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC001341686242 871776079 /nfs/dbraw/zinc/77/60/79/871776079.db2.gz LDENDNNXYRLUIO-OCCSQVGLSA-N 1 0 321.352 1.877 20 5 DDBDRO COc1ccc(C(=O)N2CCC[C@H]3CC[C@]32C[NH3+])cc1[N+](=O)[O-] ZINC001342086481 871997472 /nfs/dbraw/zinc/99/74/72/871997472.db2.gz HPLHIRRFLLTJHP-LRDDRELGSA-N 1 0 319.361 1.947 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(C)C1(C[NH3+])CCOCC1 ZINC001342853671 872413945 /nfs/dbraw/zinc/41/39/45/872413945.db2.gz WLWWPELLPHUQBZ-UHFFFAOYSA-N 1 0 321.377 1.792 20 5 DDBDRO C[C@@H](Nc1ccc([N+](=O)[O-])c(N)c1F)[C@H]1C[N@H+](C)CCN1C ZINC001348311187 874476304 /nfs/dbraw/zinc/47/63/04/874476304.db2.gz GOTGLUQOPDFAET-BXKDBHETSA-N 1 0 311.361 1.362 20 5 DDBDRO Cc1n[nH]c(=O)c(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)c1C ZINC001348957878 874895009 /nfs/dbraw/zinc/89/50/09/874895009.db2.gz LVFXKOQAPVKAIT-AWEZNQCLSA-N 1 0 318.333 1.530 20 5 DDBDRO C[N@@H+]1CC[C@@H](Oc2ccc(Br)nc2[N+](=O)[O-])C1 ZINC001227257546 882937340 /nfs/dbraw/zinc/93/73/40/882937340.db2.gz GPUXVINVWWIVTI-SSDOTTSWSA-N 1 0 302.128 1.835 20 5 DDBDRO NC(=O)c1cc(N2CCC[N@@H+]3CCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001350441022 875691744 /nfs/dbraw/zinc/69/17/44/875691744.db2.gz OYDUAHJYZYJKBT-GFCCVEGCSA-N 1 0 304.350 1.368 20 5 DDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC([NH+]2CCCC2)C1 ZINC001350543822 875752521 /nfs/dbraw/zinc/75/25/21/875752521.db2.gz XNZZSHVPJDVGTN-UHFFFAOYSA-N 1 0 304.350 1.557 20 5 DDBDRO O=[N+]([O-])C[C@H](OC[C@H]1C[C@H]2CC[NH2+]C[C@@H]2O1)c1cccnc1 ZINC001217864569 877341436 /nfs/dbraw/zinc/34/14/36/877341436.db2.gz FVVKXQBUOVPJNH-RZFFKMDDSA-N 1 0 307.350 1.183 20 5 DDBDRO O=[N+]([O-])c1cc2c(ncnc2N2CC([NH2+][C@H]3CCOC3)C2)s1 ZINC001472888321 878325665 /nfs/dbraw/zinc/32/56/65/878325665.db2.gz HITQVWSGJWVXGT-QMMMGPOBSA-N 1 0 321.362 1.167 20 5 DDBDRO CC1(C)C[NH2+]C[C@H]1NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC001355365040 878520986 /nfs/dbraw/zinc/52/09/86/878520986.db2.gz VGISIKSITDGEBJ-GFCCVEGCSA-N 1 0 311.313 1.227 20 5 DDBDRO CC[C@@H](C)[NH+]1CCN(c2nnc([C@H](C)[N+](=O)[O-])n2CC)CC1 ZINC001356351608 879007938 /nfs/dbraw/zinc/00/79/38/879007938.db2.gz NBPRDZSMBHYZFT-NEPJUHHUSA-N 1 0 310.402 1.556 20 5 DDBDRO CCOC(=O)c1ccc(CO[C@H]2CC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC001223963839 881164726 /nfs/dbraw/zinc/16/47/26/881164726.db2.gz RFBXIBAZEWJWCG-ZDUSSCGKSA-N 1 0 308.334 1.992 20 5 DDBDRO C[N@@H+]1[C@@H]2C[C@@H](Oc3nc4cc([N+](=O)[O-])ccc4[nH]3)[C@H]1CC(=O)C2 ZINC001227744020 883153251 /nfs/dbraw/zinc/15/32/51/883153251.db2.gz CRXUNZOJYMMNGX-CUOATXAZSA-N 1 0 316.317 1.654 20 5 DDBDRO CC(C)c1cccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)c(=O)c1 ZINC001229630358 884085455 /nfs/dbraw/zinc/08/54/55/884085455.db2.gz NHJICQFGXUZHFN-CQSZACIVSA-N 1 0 308.398 1.533 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc(O)c2ccccc12 ZINC001230457016 884497816 /nfs/dbraw/zinc/49/78/16/884497816.db2.gz NXVUDTGUIFHRFX-GFCCVEGCSA-O 1 0 304.366 1.908 20 5 DDBDRO OC[C@@H]1C[N@H+](Cc2ccc3ccc4cccnc4c3n2)CC[C@H]1O ZINC001232218313 886166367 /nfs/dbraw/zinc/16/63/67/886166367.db2.gz FUPHJKIPJQJFDN-DOTOQJQBSA-N 1 0 323.396 1.958 20 5 DDBDRO O=C1C[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CN1 ZINC001254467402 896453348 /nfs/dbraw/zinc/45/33/48/896453348.db2.gz BNIAEEPAYHKOCR-LBPRGKRZSA-N 1 0 304.350 1.042 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC([N@H+]3CC[C@@H](F)[C@@H](O)C3)CC2)cc1 ZINC001254476029 896456845 /nfs/dbraw/zinc/45/68/45/896456845.db2.gz JRDYLFDMQZAHSL-CVEARBPZSA-N 1 0 323.368 1.968 20 5 DDBDRO Cc1cc(N(C(N)=[NH2+])[C@H](C)Cc2ccccc2[N+](=O)[O-])n[nH]1 ZINC001254550853 896498952 /nfs/dbraw/zinc/49/89/52/896498952.db2.gz SHNHGRZTBUZGMN-SNVBAGLBSA-N 1 0 302.338 1.957 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CC[C@@H](N3CCOCC3)C1)C2 ZINC001254601425 896525039 /nfs/dbraw/zinc/52/50/39/896525039.db2.gz ZSBKLWOGNIYUIX-IAGOWNOFSA-N 1 0 317.389 1.469 20 5 DDBDRO Cc1cc(C(=O)NC[C@H]2C[NH2+]CCC2(F)F)ccc1[N+](=O)[O-] ZINC001262049195 899913265 /nfs/dbraw/zinc/91/32/65/899913265.db2.gz OXIZTEMCVWEGSG-LLVKDONJSA-N 1 0 313.304 1.878 20 5 DDBDRO Cc1nc(N2CCN(c3cc[nH+]cc3)C[C@@H]2C)ncc1[N+](=O)[O-] ZINC001262071312 899931050 /nfs/dbraw/zinc/93/10/50/899931050.db2.gz WUROHRVCYBWRCD-NSHDSACASA-N 1 0 314.349 1.803 20 5 DDBDRO Cc1c(CNC(=O)N[C@@H]2C[NH2+]CC2(C)C)cccc1[N+](=O)[O-] ZINC001262581178 900260722 /nfs/dbraw/zinc/26/07/22/900260722.db2.gz KMHNIUZBRPJGSN-CYBMUJFWSA-N 1 0 306.366 1.700 20 5 DDBDRO C[C@@H]1C[NH2+]C[C@H]1CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC001263187217 900525805 /nfs/dbraw/zinc/52/58/05/900525805.db2.gz DAWIXEZOWUFKJL-OLZOCXBDSA-N 1 0 320.393 1.759 20 5 DDBDRO COc1ccc(C(=O)N2CC[C@@H]3CC[C@]32C[NH3+])cc1[N+](=O)[O-] ZINC001263257253 900549342 /nfs/dbraw/zinc/54/93/42/900549342.db2.gz PLWRGEAHFFPSIP-NHYWBVRUSA-N 1 0 305.334 1.557 20 5 DDBDRO CC(=O)NCCN1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001279416541 903255811 /nfs/dbraw/zinc/25/58/11/903255811.db2.gz VEUGGRVSCQQJMS-UHFFFAOYSA-N 1 0 320.393 1.285 20 5 DDBDRO C[C@H](CNc1c2c(ccc1[N+](=O)[O-])NCC2)N1CC[NH+](C)CC1 ZINC000278381478 214129578 /nfs/dbraw/zinc/12/95/78/214129578.db2.gz LPIOUBKHBCGFQR-GFCCVEGCSA-N 1 0 319.409 1.611 20 5 DDBDRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000449613866 230622852 /nfs/dbraw/zinc/62/28/52/230622852.db2.gz DIIXOBLZDJJHOM-HZNSRWLBSA-N 1 0 307.325 1.980 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000449719277 230638005 /nfs/dbraw/zinc/63/80/05/230638005.db2.gz LCYCMTQWPZPDNL-SECBINFHSA-N 1 0 306.244 1.308 20 5 DDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000278547495 214228652 /nfs/dbraw/zinc/22/86/52/214228652.db2.gz OUGVDGHCBMAWFE-UHFFFAOYSA-N 1 0 318.377 1.781 20 5 DDBDRO CO[C@@H]1CCC[C@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000451630456 231144262 /nfs/dbraw/zinc/14/42/62/231144262.db2.gz JMLDDCCKFGVRPP-ZIAGYGMSSA-N 1 0 307.350 1.999 20 5 DDBDRO C[C@H]([NH2+][C@@H]1COCC1(C)C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000451807299 231199022 /nfs/dbraw/zinc/19/90/22/231199022.db2.gz GPHIZSWFNGDIKB-GXFFZTMASA-N 1 0 307.350 1.936 20 5 DDBDRO C[C@H]([NH2+][C@H]1COCC1(C)C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000451809100 231200486 /nfs/dbraw/zinc/20/04/86/231200486.db2.gz LMNQUWJHUVDTGA-GWCFXTLKSA-N 1 0 307.350 1.936 20 5 DDBDRO CC[C@]1(O)CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000495250808 529442473 /nfs/dbraw/zinc/44/24/73/529442473.db2.gz JKFUQLFBXJVLEQ-ZFWWWQNUSA-N 1 0 310.350 1.181 20 5 DDBDRO C[C@@H]1CN(C(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000153598351 290648986 /nfs/dbraw/zinc/64/89/86/290648986.db2.gz ADOJPIGHSMAIRZ-UBTSRBCMSA-N 1 0 307.325 1.956 20 5 DDBDRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)c1ccc([N+](=O)[O-])cc1 ZINC000452347586 231356064 /nfs/dbraw/zinc/35/60/64/231356064.db2.gz IYHRNZVZMMJIJJ-AWEZNQCLSA-N 1 0 307.350 1.171 20 5 DDBDRO CN(CCC[N@H+](C)Cc1ccco1)c1ncc([N+](=O)[O-])cn1 ZINC000286607748 219080752 /nfs/dbraw/zinc/08/07/52/219080752.db2.gz SYPNLVOITRPWQY-UHFFFAOYSA-N 1 0 305.338 1.936 20 5 DDBDRO C[NH2+]C[C@@H]1CCCN(CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1 ZINC000430634204 290686191 /nfs/dbraw/zinc/68/61/91/290686191.db2.gz CVAFIJCHRFHJQZ-ZDUSSCGKSA-N 1 0 320.393 1.773 20 5 DDBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@]1(O)CCN(C)C1 ZINC000358257076 299108966 /nfs/dbraw/zinc/10/89/66/299108966.db2.gz TXTMOXWINZNAPN-XJKSGUPXSA-N 1 0 307.394 1.572 20 5 DDBDRO C[N@@H+]1CCC[C@]2(CCN(c3ncc([N+](=O)[O-])cc3C(N)=O)C2)C1 ZINC000292819013 530065615 /nfs/dbraw/zinc/06/56/15/530065615.db2.gz OTCJIYDFULUHKX-HNNXBMFYSA-N 1 0 319.365 1.011 20 5 DDBDRO C[NH2+][C@@H](C)Cc1noc(CCn2nc(C)c([N+](=O)[O-])c2C)n1 ZINC000261882124 290805054 /nfs/dbraw/zinc/80/50/54/290805054.db2.gz WMMUJMJLQPTEDD-QMMMGPOBSA-N 1 0 308.342 1.184 20 5 DDBDRO C[C@@H](CN1CCOCC1)[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000279703197 215075144 /nfs/dbraw/zinc/07/51/44/215075144.db2.gz JHOHREBVFUXREU-AWEZNQCLSA-N 1 0 323.393 1.626 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cccc([N+](=O)[O-])c3N)[C@@H]2C1 ZINC000272616697 210016121 /nfs/dbraw/zinc/01/61/21/210016121.db2.gz LHZIWVGJOXKKOY-ZWNOBZJWSA-N 1 0 304.350 1.343 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000272606285 210004371 /nfs/dbraw/zinc/00/43/71/210004371.db2.gz JRFRMVBCCCPRSP-HIFRSBDPSA-N 1 0 303.362 1.690 20 5 DDBDRO C[C@@]1(O)CCC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000280018160 215316061 /nfs/dbraw/zinc/31/60/61/215316061.db2.gz KGJLCEAQBQMINA-CZUORRHYSA-N 1 0 324.377 1.571 20 5 DDBDRO C[NH+](C)Cc1cc(CNC(=O)c2[nH]ncc2[N+](=O)[O-])ccc1F ZINC000159628888 186131934 /nfs/dbraw/zinc/13/19/34/186131934.db2.gz XUUYQKIJYSDYOX-UHFFFAOYSA-N 1 0 321.312 1.449 20 5 DDBDRO CC(C)(O)C[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000189946004 186253398 /nfs/dbraw/zinc/25/33/98/186253398.db2.gz BSFBPXXAWMFSMN-CYBMUJFWSA-N 1 0 324.377 1.570 20 5 DDBDRO CCc1n[nH]c(C(=O)NCC(C)(C)C[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000276785504 186463003 /nfs/dbraw/zinc/46/30/03/186463003.db2.gz RWNLIGHMSXCNPH-UHFFFAOYSA-N 1 0 323.397 1.732 20 5 DDBDRO COc1ccc(CC(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000564838121 304017875 /nfs/dbraw/zinc/01/78/75/304017875.db2.gz GLINOOQYLYAOKA-CMPLNLGQSA-N 1 0 307.350 1.342 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000331719398 234041187 /nfs/dbraw/zinc/04/11/87/234041187.db2.gz QXIRWGVNCCZTAQ-HUUCEWRRSA-N 1 0 319.361 1.717 20 5 DDBDRO O=C(NCC[NH+]1CCCCC1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000047140319 352483127 /nfs/dbraw/zinc/48/31/27/352483127.db2.gz FKAFZSMKVNOEPQ-UHFFFAOYSA-N 1 0 317.349 1.687 20 5 DDBDRO COc1ccc(C(=O)NCC(C)(C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000047339279 352490941 /nfs/dbraw/zinc/49/09/41/352490941.db2.gz UAYLWYXJLBHHDR-UHFFFAOYSA-N 1 0 309.366 1.921 20 5 DDBDRO CC[N@H+](C)C[C@H]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000072858394 191239905 /nfs/dbraw/zinc/23/99/05/191239905.db2.gz BTYNGUTYUDSHKK-GFCCVEGCSA-N 1 0 320.393 1.467 20 5 DDBDRO C[NH+](C)C1(CNC(=O)CCn2cc([N+](=O)[O-])cn2)CCCC1 ZINC000063836037 352926543 /nfs/dbraw/zinc/92/65/43/352926543.db2.gz CFDHAGAHGFFYCN-UHFFFAOYSA-N 1 0 309.370 1.172 20 5 DDBDRO O=C(CNc1ccccc1[N+](=O)[O-])NC1CC[NH+](C2CC2)CC1 ZINC000065859104 352966317 /nfs/dbraw/zinc/96/63/17/352966317.db2.gz UOVMSAZHWBEYNL-UHFFFAOYSA-N 1 0 318.377 1.750 20 5 DDBDRO C[C@H](CNC(=O)COc1ccccc1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000068219491 353096858 /nfs/dbraw/zinc/09/68/58/353096858.db2.gz VYWDVVUVJBBHSZ-LLVKDONJSA-N 1 0 307.350 1.573 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](C)CC[NH+](C)C ZINC000068644827 353123749 /nfs/dbraw/zinc/12/37/49/353123749.db2.gz HTICPVAVJDDZMH-LLVKDONJSA-N 1 0 322.365 1.298 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCCc3ccccc3C2)c1 ZINC000173712840 198243612 /nfs/dbraw/zinc/24/36/12/198243612.db2.gz YNZWNYLWNZFDAY-MRXNPFEDSA-N 1 0 316.361 1.601 20 5 DDBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CC[NH+]2CCC1CC2 ZINC000492004791 234357620 /nfs/dbraw/zinc/35/76/20/234357620.db2.gz CFMMAGLPWDYEBQ-UTCJRWHESA-N 1 0 301.346 1.915 20 5 DDBDRO Cc1nn(C)c(N2CC[C@H](C[N@H+](C)CC3CC3)C2)c1[N+](=O)[O-] ZINC000074772863 353330380 /nfs/dbraw/zinc/33/03/80/353330380.db2.gz DNZXIRVVONSORZ-CYBMUJFWSA-N 1 0 307.398 1.805 20 5 DDBDRO C[N@H+](CCOc1ccccc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174654226 198365310 /nfs/dbraw/zinc/36/53/10/198365310.db2.gz CRGOYXDNJYOEHV-AWEZNQCLSA-N 1 0 320.349 1.163 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCc3sccc3C2)c1 ZINC000174702839 198371901 /nfs/dbraw/zinc/37/19/01/198371901.db2.gz YROZFZDNIGTNTC-LBPRGKRZSA-N 1 0 308.363 1.272 20 5 DDBDRO C[C@H]1CCC[N@H+](CCCCNc2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000076795581 353438583 /nfs/dbraw/zinc/43/85/83/353438583.db2.gz WEFVZGCJHSKCQN-NSHDSACASA-N 1 0 308.386 1.891 20 5 DDBDRO Cc1cnc(NCCCC[NH+]2CCN(C)CC2)c([N+](=O)[O-])c1 ZINC000078630208 353526174 /nfs/dbraw/zinc/52/61/74/353526174.db2.gz GJFXSKJOCZHPFC-UHFFFAOYSA-N 1 0 307.398 1.738 20 5 DDBDRO CC[NH+](CC)CCO[C@H]1CCN(c2ncccc2[N+](=O)[O-])C1 ZINC000080680475 353622475 /nfs/dbraw/zinc/62/24/75/353622475.db2.gz NWPUZHDMTHZPNN-ZDUSSCGKSA-N 1 0 308.382 1.927 20 5 DDBDRO O=C(COc1ccccc1[N+](=O)[O-])N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000144479486 354154695 /nfs/dbraw/zinc/15/46/95/354154695.db2.gz UMISSTUGGPNSCQ-NSHDSACASA-N 1 0 305.334 1.327 20 5 DDBDRO C[C@@H]1C[C@@H]([NH3+])CCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000237505070 354343403 /nfs/dbraw/zinc/34/34/03/354343403.db2.gz DQSLDHJGNKSLBQ-SFYZADRCSA-N 1 0 305.381 1.157 20 5 DDBDRO Cn1c(C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)ccc1[N+](=O)[O-] ZINC000314578272 354486365 /nfs/dbraw/zinc/48/63/65/354486365.db2.gz PCNUMQPQKIYAJL-RYUDHWBXSA-N 1 0 306.366 1.538 20 5 DDBDRO NC(=O)c1ccc(C[N@@H+]2CCCCC[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000317434369 354511424 /nfs/dbraw/zinc/51/14/24/354511424.db2.gz WTINYFNJTKCINS-CYBMUJFWSA-N 1 0 307.350 1.431 20 5 DDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCCc3c2cnn3CCO)cc1 ZINC000320163116 354525768 /nfs/dbraw/zinc/52/57/68/354525768.db2.gz LFGONYODRBEOAV-HNNXBMFYSA-N 1 0 316.361 1.951 20 5 DDBDRO Nc1cc(N2CC[NH+](C3CCC3)CC2)cc(CO)c1[N+](=O)[O-] ZINC000587977888 354888897 /nfs/dbraw/zinc/88/88/97/354888897.db2.gz RZWRABAAWKGDOV-UHFFFAOYSA-N 1 0 306.366 1.344 20 5 DDBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C1COCCOC1 ZINC000589949560 355034837 /nfs/dbraw/zinc/03/48/37/355034837.db2.gz CCCDJWATKRGIIG-NSHDSACASA-N 1 0 323.349 1.317 20 5 DDBDRO CNC(=O)c1ccc(N2CC[C@@H]([NH+](C)C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000590570413 355116427 /nfs/dbraw/zinc/11/64/27/355116427.db2.gz YSEPOVNBSFRPEP-ZYHUDNBSSA-N 1 0 306.366 1.483 20 5 DDBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000590403339 355085739 /nfs/dbraw/zinc/08/57/39/355085739.db2.gz PJVOOLONDZWDIP-NEPJUHHUSA-N 1 0 307.350 1.525 20 5 DDBDRO COC[C@]1(CO)CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000590763174 355171054 /nfs/dbraw/zinc/17/10/54/355171054.db2.gz PFROAHRSGSYUOW-MRXNPFEDSA-N 1 0 324.377 1.695 20 5 DDBDRO Cc1c(NC(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)cccc1[N+](=O)[O-] ZINC000591272492 355274813 /nfs/dbraw/zinc/27/48/13/355274813.db2.gz VWXMCAVTBQXRAR-GWCFXTLKSA-N 1 0 308.338 1.483 20 5 DDBDRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000591348236 355294306 /nfs/dbraw/zinc/29/43/06/355294306.db2.gz GBZBDRLIDFUBLC-OCCSQVGLSA-N 1 0 306.366 1.912 20 5 DDBDRO CC[NH2+]CCCNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000591357186 355298512 /nfs/dbraw/zinc/29/85/12/355298512.db2.gz SDEIHUPDBFEJHN-UHFFFAOYSA-N 1 0 320.353 1.270 20 5 DDBDRO CCOC(=O)c1ccnc(NC[C@@H]2CCCC[NH2+]2)c1[N+](=O)[O-] ZINC000591429949 355309005 /nfs/dbraw/zinc/30/90/05/355309005.db2.gz KXGNLRMWKWCNTG-JTQLQIEISA-N 1 0 308.338 1.721 20 5 DDBDRO O=[N+]([O-])c1cnc2ccc(N3CCC([C@@H]4CCC[NH2+]4)CC3)nn21 ZINC000591431632 355309924 /nfs/dbraw/zinc/30/99/24/355309924.db2.gz XIVUPOVPPDJPKP-LBPRGKRZSA-N 1 0 316.365 1.606 20 5 DDBDRO CNC(=O)c1ccc(N2CC[C@H]3CC[NH2+][C@H]3C2)c([N+](=O)[O-])c1 ZINC000591439388 355311103 /nfs/dbraw/zinc/31/11/03/355311103.db2.gz UKHKIEMTNXIRPB-PWSUYJOCSA-N 1 0 304.350 1.143 20 5 DDBDRO COC(=O)c1cc(N2CC[C@H]3CC[NH2+][C@@H]3C2)cc(C)c1[N+](=O)[O-] ZINC000591438178 355311110 /nfs/dbraw/zinc/31/11/10/355311110.db2.gz MONQPICCPFSTGW-BXUZGUMPSA-N 1 0 319.361 1.878 20 5 DDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000591442954 355311828 /nfs/dbraw/zinc/31/18/28/355311828.db2.gz YBVWEFPXFMKMSY-CYBMUJFWSA-N 1 0 307.398 1.946 20 5 DDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000591444764 355312602 /nfs/dbraw/zinc/31/26/02/355312602.db2.gz QXHPDLGJTYIEHJ-STQMWFEESA-N 1 0 307.398 1.946 20 5 DDBDRO CNC(=O)[C@@H]1CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000591476896 355320600 /nfs/dbraw/zinc/32/06/00/355320600.db2.gz CKFAUOOPONSBDA-GFCCVEGCSA-N 1 0 307.350 1.432 20 5 DDBDRO COc1ccc(NC(=O)N[C@H]2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000591297660 355283230 /nfs/dbraw/zinc/28/32/30/355283230.db2.gz YOLQWUHCAYDJPT-JTQLQIEISA-N 1 0 308.338 1.867 20 5 DDBDRO C[C@H](C[C@@H]1CCOC1)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000591753785 355377181 /nfs/dbraw/zinc/37/71/81/355377181.db2.gz KRMPVPBKOSWPEO-RDBSUJKOSA-N 1 0 324.377 1.739 20 5 DDBDRO CC(C)(C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCCC1 ZINC000591756970 355378058 /nfs/dbraw/zinc/37/80/58/355378058.db2.gz KJDDCMUUAYAOBZ-CQSZACIVSA-N 1 0 310.398 1.958 20 5 DDBDRO COC1(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CCC1 ZINC000591758965 355378787 /nfs/dbraw/zinc/37/87/87/355378787.db2.gz NTTPAKJEBNIKLZ-LBPRGKRZSA-N 1 0 310.350 1.493 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CN(CC[NH+](C)C)C(=O)[C@H]2C)n1 ZINC000591984314 355452908 /nfs/dbraw/zinc/45/29/08/355452908.db2.gz DMZGNKXAQIRHOE-GFCCVEGCSA-N 1 0 321.381 1.163 20 5 DDBDRO Cc1n[nH]c(C(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC000592256420 355548433 /nfs/dbraw/zinc/54/84/33/355548433.db2.gz YYVKIUTXUBTMKW-NWDGAFQWSA-N 1 0 321.381 1.478 20 5 DDBDRO CCc1ccc(C(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000592309477 355556894 /nfs/dbraw/zinc/55/68/94/355556894.db2.gz RHINGPYLMZBIHH-HZMBPMFUSA-N 1 0 307.350 1.345 20 5 DDBDRO CC1(C)C[NH2+]CCN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000592473541 355592573 /nfs/dbraw/zinc/59/25/73/355592573.db2.gz AFEGPZOASJFSPP-UHFFFAOYSA-N 1 0 306.366 1.607 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC(C)([NH3+])CC1 ZINC000592484392 355595281 /nfs/dbraw/zinc/59/52/81/355595281.db2.gz AAPSLXKAOSBBDH-UHFFFAOYSA-N 1 0 322.365 1.355 20 5 DDBDRO C[C@@H]([NH3+])[C@@H](C)NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000592556917 355628100 /nfs/dbraw/zinc/62/81/00/355628100.db2.gz QEMWULPGSJRNCK-VXGBXAGGSA-N 1 0 320.393 1.663 20 5 DDBDRO COC[C@H]1C[C@@H](O)C[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000593067535 355785310 /nfs/dbraw/zinc/78/53/10/355785310.db2.gz VLCKHGDNBKUVJI-ZIAGYGMSSA-N 1 0 323.349 1.005 20 5 DDBDRO C[C@@H](CO)C1CC[NH+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000593085704 355790238 /nfs/dbraw/zinc/79/02/38/355790238.db2.gz VNUDYQBQMAXBSM-NSHDSACASA-N 1 0 321.377 1.534 20 5 DDBDRO CN(C(=O)Cc1ccc(F)cc1[N+](=O)[O-])[C@@H]1C[NH+]2CCC1CC2 ZINC000593461969 355892359 /nfs/dbraw/zinc/89/23/59/355892359.db2.gz WRDSXYRFASZFSX-OAHLLOKOSA-N 1 0 321.352 1.829 20 5 DDBDRO CCOc1cc(CN2CC[NH+](CCOC)CC2)ccc1[N+](=O)[O-] ZINC000276950662 213198420 /nfs/dbraw/zinc/19/84/20/213198420.db2.gz UEBWXJAVPBXKSS-UHFFFAOYSA-N 1 0 323.393 1.758 20 5 DDBDRO CC(C)[N@H+](C)CCNC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000080259627 192017933 /nfs/dbraw/zinc/01/79/33/192017933.db2.gz ZGMCQQUHYIFRMW-UHFFFAOYSA-N 1 0 308.382 1.487 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000594427433 356207666 /nfs/dbraw/zinc/20/76/66/356207666.db2.gz IGBMAUWERUKHJN-CZUORRHYSA-N 1 0 319.361 1.609 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000594427431 356208302 /nfs/dbraw/zinc/20/83/02/356208302.db2.gz IGBMAUWERUKHJN-CJNGLKHVSA-N 1 0 319.361 1.609 20 5 DDBDRO NC(=O)c1ccnc(N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000594596962 356260188 /nfs/dbraw/zinc/26/01/88/356260188.db2.gz BPNWVDFWHOWSND-NEPJUHHUSA-N 1 0 319.365 1.518 20 5 DDBDRO O=C(c1cccc([N+](=O)[O-])c1)N1CC[NH+](C2CCOCC2)CC1 ZINC000081033846 192216766 /nfs/dbraw/zinc/21/67/66/192216766.db2.gz GDHKDOWDKDIWEF-UHFFFAOYSA-N 1 0 319.361 1.532 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](C)[C@@H]1CN(C)CCO1 ZINC000595022525 356373836 /nfs/dbraw/zinc/37/38/36/356373836.db2.gz MINHXMKUNGBZOP-OZVIIMIRSA-N 1 0 323.393 1.973 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[C@@H]([NH3+])C(C)C ZINC000595120459 356386003 /nfs/dbraw/zinc/38/60/03/356386003.db2.gz GARFSBWAYUQOQG-GFCCVEGCSA-N 1 0 315.395 1.555 20 5 DDBDRO C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C[C@@H]1[NH3+] ZINC000595228711 356412145 /nfs/dbraw/zinc/41/21/45/356412145.db2.gz HRPWPWSXOAVSCX-SKDRFNHKSA-N 1 0 321.333 1.175 20 5 DDBDRO CCCC[C@H](C[NH3+])NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000236888989 202055532 /nfs/dbraw/zinc/05/55/32/202055532.db2.gz UQRJEAYNMBOPAK-GFCCVEGCSA-N 1 0 308.382 1.665 20 5 DDBDRO CC1(C)CN(c2c3c(ccc2[N+](=O)[O-])NCC3)CC[N@@H+]1CCO ZINC000618164842 363484899 /nfs/dbraw/zinc/48/48/99/363484899.db2.gz TXOAGKWREBHQPP-UHFFFAOYSA-N 1 0 320.393 1.456 20 5 DDBDRO O=C(C[NH2+][C@H](CO)C1CCC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000595616884 356579452 /nfs/dbraw/zinc/57/94/52/356579452.db2.gz OSHPFISVVFWSJS-CQSZACIVSA-N 1 0 319.361 1.235 20 5 DDBDRO C[C@H](CO)[C@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000595679070 356607523 /nfs/dbraw/zinc/60/75/23/356607523.db2.gz UTICLVPURXOESR-TZMCWYRMSA-N 1 0 309.366 1.239 20 5 DDBDRO C[C@@H]1C[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H](C)[C@H]1O ZINC000595748319 356635209 /nfs/dbraw/zinc/63/52/09/356635209.db2.gz FNDKNAFLWDZUBV-CQJJVWNLSA-N 1 0 324.377 1.283 20 5 DDBDRO COc1ccc(OCC[N@@H+]2C[C@H]3COC[C@@]3(C)C2)c([N+](=O)[O-])c1 ZINC000595762095 356641753 /nfs/dbraw/zinc/64/17/53/356641753.db2.gz ZXPOWZPUZRFGGD-BLLLJJGKSA-N 1 0 322.361 1.951 20 5 DDBDRO C[NH2+]C1CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000237062612 202139838 /nfs/dbraw/zinc/13/98/38/202139838.db2.gz BVILDWLSJOVVQO-UHFFFAOYSA-N 1 0 320.393 1.997 20 5 DDBDRO CN(CC(=O)NC[C@H]1CCC[NH2+]C1)c1ccccc1[N+](=O)[O-] ZINC000237065386 202141018 /nfs/dbraw/zinc/14/10/18/202141018.db2.gz GCCHWEONBRDMEG-LBPRGKRZSA-N 1 0 306.366 1.147 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CN(C)[C@H](C[NH3+])C(F)(F)F ZINC000595907115 356700990 /nfs/dbraw/zinc/70/09/90/356700990.db2.gz GXBKWGMXUVWMSK-LLVKDONJSA-N 1 0 307.272 1.925 20 5 DDBDRO O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)c1cc([N+](=O)[O-])n[nH]1 ZINC000595967257 356728275 /nfs/dbraw/zinc/72/82/75/356728275.db2.gz PTOSDOXKHRMNPZ-DGCLKSJQSA-N 1 0 315.333 1.193 20 5 DDBDRO CCOC(=O)c1cc(C(=O)N[C@@H](C)C[NH2+]C)cc([N+](=O)[O-])c1 ZINC000595983269 356735219 /nfs/dbraw/zinc/73/52/19/356735219.db2.gz LKBUXOHLYTXVQU-VIFPVBQESA-N 1 0 309.322 1.109 20 5 DDBDRO COC(=O)c1cc(NC(=O)[C@@]2(C)CCC[NH2+]C2)cc([N+](=O)[O-])c1 ZINC000237186453 202180401 /nfs/dbraw/zinc/18/04/01/202180401.db2.gz ZHCBYXPKDOQRGC-HNNXBMFYSA-N 1 0 321.333 1.710 20 5 DDBDRO C[NH2+]C[C@@H]1CCCN(C(=O)c2cc(OC)ccc2[N+](=O)[O-])C1 ZINC000237198509 202186855 /nfs/dbraw/zinc/18/68/55/202186855.db2.gz JTSRAOLVYNQFFK-NSHDSACASA-N 1 0 307.350 1.675 20 5 DDBDRO CC(C)(C)[N@@H+]1CC[C@H]1CNc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000596309345 356853459 /nfs/dbraw/zinc/85/34/59/356853459.db2.gz ZEVKPZNTHLNVTE-NSHDSACASA-N 1 0 306.366 1.978 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(N(CC[NH+](C)C)CC(=O)N(C)C)c1 ZINC000596461358 356888482 /nfs/dbraw/zinc/88/84/82/356888482.db2.gz GCPOIXXJYWCNSH-UHFFFAOYSA-N 1 0 308.382 1.359 20 5 DDBDRO O=[N+]([O-])c1cccc(F)c1N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000596539299 356911357 /nfs/dbraw/zinc/91/13/57/356911357.db2.gz OFQBCFZZJYCIJV-LBPRGKRZSA-N 1 0 309.341 1.769 20 5 DDBDRO C[NH+](C)CCC[C@@H]1CN(c2ncc([N+](=O)[O-])s2)CCO1 ZINC000596564980 356918683 /nfs/dbraw/zinc/91/86/83/356918683.db2.gz FDQJTTNNLBGOSU-SNVBAGLBSA-N 1 0 300.384 1.598 20 5 DDBDRO C[NH+]1CC2(C1)CCN(C(=O)c1c[nH]c3cccc([N+](=O)[O-])c13)C2 ZINC000597570757 357233203 /nfs/dbraw/zinc/23/32/03/357233203.db2.gz CIROGAWNZBYWIA-UHFFFAOYSA-N 1 0 314.345 1.854 20 5 DDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000597438335 357175986 /nfs/dbraw/zinc/17/59/86/357175986.db2.gz DLIZZSRJZDAONH-AWEZNQCLSA-N 1 0 318.377 1.878 20 5 DDBDRO CN(CCC[NH+](C)C)CCNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000597989885 357408374 /nfs/dbraw/zinc/40/83/74/357408374.db2.gz MDIBSAZHQGWHJV-UHFFFAOYSA-N 1 0 308.382 1.208 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000598220004 357497475 /nfs/dbraw/zinc/49/74/75/357497475.db2.gz NFWKKIKPUQUAJA-NSHDSACASA-N 1 0 321.381 1.465 20 5 DDBDRO C[NH+](C)CCC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CCO1 ZINC000598541547 357627088 /nfs/dbraw/zinc/62/70/88/357627088.db2.gz VHBVKLZVSVIBSP-NSHDSACASA-N 1 0 310.354 1.106 20 5 DDBDRO Cc1nn(CCC(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)c(C)c1[N+](=O)[O-] ZINC000598669966 357679105 /nfs/dbraw/zinc/67/91/05/357679105.db2.gz ONFZOECPBQTNRK-IUODEOHRSA-N 1 0 321.381 1.138 20 5 DDBDRO [NH3+]C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)CCCO1 ZINC000598913952 357757064 /nfs/dbraw/zinc/75/70/64/357757064.db2.gz RXUNEOGUUUCJHJ-SNVBAGLBSA-N 1 0 312.301 1.315 20 5 DDBDRO CCOC(=O)c1ccnc(N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)c1[N+](=O)[O-] ZINC000599084920 357810483 /nfs/dbraw/zinc/81/04/83/357810483.db2.gz ZNXJYQZPZQCRAE-GDNZZTSVSA-N 1 0 320.349 1.163 20 5 DDBDRO O=[N+]([O-])c1c2ccncc2ccc1N1CC[C@@H](O)[C@@H](CO)C1 ZINC000599091058 357812572 /nfs/dbraw/zinc/81/25/72/357812572.db2.gz OBVPPFQSTINYSP-BXUZGUMPSA-N 1 0 303.318 1.323 20 5 DDBDRO C[C@@H]1[NH2+]CC[C@H]1NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000599110785 357818369 /nfs/dbraw/zinc/81/83/69/357818369.db2.gz QSIWZLRFKATMOW-IONNQARKSA-N 1 0 319.770 1.277 20 5 DDBDRO CCc1ccc(S(=O)(=O)N[C@@H]2CC[NH2+][C@H]2C)cc1[N+](=O)[O-] ZINC000599110852 357818380 /nfs/dbraw/zinc/81/83/80/357818380.db2.gz BIFVKALCGHVRRU-JOYOIKCWSA-N 1 0 313.379 1.186 20 5 DDBDRO COCC[NH2+]CCNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000179381517 199025226 /nfs/dbraw/zinc/02/52/26/199025226.db2.gz FNRZTBDHJZGYGM-UHFFFAOYSA-N 1 0 323.374 1.775 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1C[C@@H](CO)[C@H](CO)C1 ZINC000599531319 357964883 /nfs/dbraw/zinc/96/48/83/357964883.db2.gz SBUOMMVLNJSHLZ-STQMWFEESA-N 1 0 310.350 1.026 20 5 DDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N(C)CCOCC[NH2+]C ZINC000599604574 357989604 /nfs/dbraw/zinc/98/96/04/357989604.db2.gz CVHSQUWXRADAJQ-UHFFFAOYSA-N 1 0 324.381 1.857 20 5 DDBDRO CC(=O)NC[C@@H]1CCCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000599704805 358032796 /nfs/dbraw/zinc/03/27/96/358032796.db2.gz UEEDGDSNYSOJJJ-HNNXBMFYSA-N 1 0 321.377 1.964 20 5 DDBDRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000599919308 358080770 /nfs/dbraw/zinc/08/07/70/358080770.db2.gz OSKARNAUZKIRNQ-QWHCGFSZSA-N 1 0 306.366 1.577 20 5 DDBDRO C[C@@H]1CC[C@@H](NC(=O)NCCc2cccc([N+](=O)[O-])c2)C[NH2+]1 ZINC000599922032 358081627 /nfs/dbraw/zinc/08/16/27/358081627.db2.gz XKTZXBLBUFMAOG-DGCLKSJQSA-N 1 0 306.366 1.577 20 5 DDBDRO O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000600229421 358163735 /nfs/dbraw/zinc/16/37/35/358163735.db2.gz SCSQJYGMXOXABN-ZDUSSCGKSA-N 1 0 321.381 1.315 20 5 DDBDRO CCc1n[nH]c(C(=O)NC[C@@H]2CCCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000600313738 358193113 /nfs/dbraw/zinc/19/31/13/358193113.db2.gz JOBPLGAMVBCFBV-JTQLQIEISA-N 1 0 309.370 1.342 20 5 DDBDRO C[N@H+](CC(=O)NCCOc1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000600816337 358323507 /nfs/dbraw/zinc/32/35/07/358323507.db2.gz BLDBPJYPBJSKJF-UHFFFAOYSA-N 1 0 307.350 1.574 20 5 DDBDRO C[C@H]1CC[N@H+](CC(=O)N[C@@](C)(CO)c2cccc([N+](=O)[O-])c2)C1 ZINC000601776162 358690796 /nfs/dbraw/zinc/69/07/96/358690796.db2.gz HICOPDMTSNUAEB-LRDDRELGSA-N 1 0 321.377 1.260 20 5 DDBDRO Cc1cc([N+](=O)[O-])nn1C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000601960862 358754404 /nfs/dbraw/zinc/75/44/04/358754404.db2.gz WVFGYYWAYBPQCM-MRXNPFEDSA-N 1 0 316.361 1.737 20 5 DDBDRO CC[NH2+][C@@H](C)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000602430480 358971036 /nfs/dbraw/zinc/97/10/36/358971036.db2.gz NKLSFOXKXXIBDN-LBPRGKRZSA-N 1 0 306.366 1.241 20 5 DDBDRO COCC[C@@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602524925 359026479 /nfs/dbraw/zinc/02/64/79/359026479.db2.gz AYZGCCKEGOAIOB-GFCCVEGCSA-N 1 0 308.382 1.973 20 5 DDBDRO COCC[NH2+]CCNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000602481189 359007565 /nfs/dbraw/zinc/00/75/65/359007565.db2.gz ANIMZYYTFSNCKH-UHFFFAOYSA-N 1 0 321.377 1.369 20 5 DDBDRO CN(Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H]1CCNC1=O ZINC000602493068 359013842 /nfs/dbraw/zinc/01/38/42/359013842.db2.gz JPHIAAYVMMETIA-JTQLQIEISA-N 1 0 317.267 1.934 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](C(C)C)[C@@H](CO)C(C)C ZINC000602843519 359232181 /nfs/dbraw/zinc/23/21/81/359232181.db2.gz WUAHSFKIACGHIK-DZGCQCFKSA-N 1 0 312.414 1.978 20 5 DDBDRO CC[N@H+](CCn1c(C)ncc1[N+](=O)[O-])C[C@H](O)C(F)(F)F ZINC000602809676 359206493 /nfs/dbraw/zinc/20/64/93/359206493.db2.gz CDWHCBBZWFMONB-VIFPVBQESA-N 1 0 310.276 1.345 20 5 DDBDRO Cc1cncc([N+](=O)[O-])c1NC(=O)N1CC[NH+](CC(C)C)CC1 ZINC000602956903 359321394 /nfs/dbraw/zinc/32/13/94/359321394.db2.gz MOHBWRVCGQKESD-UHFFFAOYSA-N 1 0 321.381 1.526 20 5 DDBDRO C[C@@](CO)([NH2+]CCOC[C@@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000602965405 359328878 /nfs/dbraw/zinc/32/88/78/359328878.db2.gz FBGNILKLJHXNBB-HOTGVXAUSA-N 1 0 324.377 1.588 20 5 DDBDRO O=[N+]([O-])c1ccc(Cn2cc(C[C@@H]3CCC[NH2+]C3)nn2)c(F)c1 ZINC000603224552 359496263 /nfs/dbraw/zinc/49/62/63/359496263.db2.gz QIKRVPWMNRRINR-NSHDSACASA-N 1 0 319.340 1.916 20 5 DDBDRO C[C@@H](O)C[N@@H+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000186963142 200039256 /nfs/dbraw/zinc/03/92/56/200039256.db2.gz UGLQOHGLRDBMOI-QWHCGFSZSA-N 1 0 321.377 1.051 20 5 DDBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[NH2+]CC1 ZINC000237540040 202276905 /nfs/dbraw/zinc/27/69/05/202276905.db2.gz WKTYUVXAHYVQAK-NSHDSACASA-N 1 0 309.391 1.897 20 5 DDBDRO C[N@@H+]1CCC[C@@H](NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000604197975 359725835 /nfs/dbraw/zinc/72/58/35/359725835.db2.gz CSELTQMFXFPEJI-SECBINFHSA-N 1 0 303.322 1.295 20 5 DDBDRO Cc1cc(C)c(S(=O)(=O)N[C@@H](C)C[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000565774619 304091109 /nfs/dbraw/zinc/09/11/09/304091109.db2.gz IABXTSVMEZMILZ-QWRGUYRKSA-N 1 0 315.395 1.616 20 5 DDBDRO COCC[N@@H+]1CC[C@@H](NC(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000609919666 360364873 /nfs/dbraw/zinc/36/48/73/360364873.db2.gz WWQNTAJVGAJIJP-CYBMUJFWSA-N 1 0 322.365 1.115 20 5 DDBDRO O=[N+]([O-])c1ccc(CN2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c(F)c1 ZINC000610476519 360444645 /nfs/dbraw/zinc/44/46/45/360444645.db2.gz BCZHWIJKLZQTLB-HZPDHXFCSA-N 1 0 323.368 1.765 20 5 DDBDRO CCOc1ccc(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000610335995 360416222 /nfs/dbraw/zinc/41/62/22/360416222.db2.gz DMASQGNVNNLOQD-CQSZACIVSA-N 1 0 320.349 1.341 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)C1CC[NH+](C)CC1 ZINC000195456333 201392115 /nfs/dbraw/zinc/39/21/15/201392115.db2.gz CNMCMNVOSUNFMQ-UHFFFAOYSA-N 1 0 309.370 1.042 20 5 DDBDRO O=C(NCC1=CC[NH2+]CC1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000275179884 212175342 /nfs/dbraw/zinc/17/53/42/212175342.db2.gz WHBLCKZNLGASMD-UHFFFAOYSA-N 1 0 301.302 1.991 20 5 DDBDRO CN1CCC[C@@H]1C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000579465043 422771758 /nfs/dbraw/zinc/77/17/58/422771758.db2.gz HMVJNDGIOJLSLW-ZIAGYGMSSA-N 1 0 309.366 1.018 20 5 DDBDRO Cc1ccc([C@@H](C)NC(=O)C2(C[NH3+])CCOCC2)cc1[N+](=O)[O-] ZINC000261867176 203137715 /nfs/dbraw/zinc/13/77/15/203137715.db2.gz CRUYNMBQOLVXMN-GFCCVEGCSA-N 1 0 321.377 1.836 20 5 DDBDRO [NH3+]C[C@@H](NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)C1CC1 ZINC000262264414 203243630 /nfs/dbraw/zinc/24/36/30/203243630.db2.gz UWEHJHJZFHERLK-GFCCVEGCSA-N 1 0 315.333 1.248 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[C@H]([NH+](C)C)C1 ZINC000093986098 193334607 /nfs/dbraw/zinc/33/46/07/193334607.db2.gz HHIDMBHLRMVLFU-QWRGUYRKSA-N 1 0 307.350 1.816 20 5 DDBDRO C[C@@H](CNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)[NH+](C)C ZINC000264694967 204083055 /nfs/dbraw/zinc/08/30/55/204083055.db2.gz AWIOSWCOJININR-VIFPVBQESA-N 1 0 318.333 1.529 20 5 DDBDRO Nc1c(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc(F)cc1[N+](=O)[O-] ZINC000264667577 204064704 /nfs/dbraw/zinc/06/47/04/204064704.db2.gz VMABBIJFNMVYTN-VIFPVBQESA-N 1 0 322.340 1.530 20 5 DDBDRO C[C@H](CC[NH+](C)C)NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000264953495 204298049 /nfs/dbraw/zinc/29/80/49/204298049.db2.gz YJZHXZJBWHCDLV-SECBINFHSA-N 1 0 305.338 1.541 20 5 DDBDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000351251159 284312071 /nfs/dbraw/zinc/31/20/71/284312071.db2.gz GMOQIAAVRLPBOV-GHMZBOCLSA-N 1 0 321.381 1.565 20 5 DDBDRO COC[C@H](O)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000282722450 217203235 /nfs/dbraw/zinc/20/32/35/217203235.db2.gz RUZSLOITASQDIR-LLVKDONJSA-N 1 0 306.318 1.952 20 5 DDBDRO COc1cc(C(=O)NCCC[NH+](C)C)cc([N+](=O)[O-])c1OC ZINC000266082295 205084665 /nfs/dbraw/zinc/08/46/65/205084665.db2.gz NQDGEYOYRWYVAI-UHFFFAOYSA-N 1 0 311.338 1.294 20 5 DDBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2[nH]nc(C)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000266111901 205106933 /nfs/dbraw/zinc/10/69/33/205106933.db2.gz VGVKNXXJQLGLJW-GXSJLCMTSA-N 1 0 309.370 1.429 20 5 DDBDRO CC(C)[N@@H+](Cc1ccco1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266507268 205395929 /nfs/dbraw/zinc/39/59/29/205395929.db2.gz CEPXAMRFKBBVKY-CYBMUJFWSA-N 1 0 308.338 1.656 20 5 DDBDRO O=C(COc1cccc([N+](=O)[O-])c1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000288539096 220217002 /nfs/dbraw/zinc/21/70/02/220217002.db2.gz AFUMTISFLZIIHF-MRXNPFEDSA-N 1 0 319.361 1.576 20 5 DDBDRO COc1ccc(CNC(=O)[C@@H]2CCC[NH2+][C@@H]2C)cc1[N+](=O)[O-] ZINC000288542575 220221094 /nfs/dbraw/zinc/22/10/94/220221094.db2.gz FLDQSTPYWMMZSD-ZYHUDNBSSA-N 1 0 307.350 1.608 20 5 DDBDRO CC[N@@H+]1CC[C@@H](CNC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000102488862 248243184 /nfs/dbraw/zinc/24/31/84/248243184.db2.gz JBLOXCFUHJLBRM-ZDUSSCGKSA-N 1 0 323.397 1.256 20 5 DDBDRO Cc1nn(C)c(C(=O)NCC[N@H+](C)C2CCCC2)c1[N+](=O)[O-] ZINC000104574578 194016192 /nfs/dbraw/zinc/01/61/92/194016192.db2.gz ZHAZCGSHMIHWCI-UHFFFAOYSA-N 1 0 309.370 1.241 20 5 DDBDRO CC[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000338677708 250087115 /nfs/dbraw/zinc/08/71/15/250087115.db2.gz RFUPWIUWBBTOBS-GFCCVEGCSA-N 1 0 323.397 1.375 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CCC1(O)CCC1 ZINC000567378714 304215884 /nfs/dbraw/zinc/21/58/84/304215884.db2.gz NXODMEQWJFIJDB-LBPRGKRZSA-N 1 0 310.350 1.229 20 5 DDBDRO COC(=O)[C@@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000339226007 250351171 /nfs/dbraw/zinc/35/11/71/250351171.db2.gz DLMMVQVNBYOBMI-LLVKDONJSA-N 1 0 321.333 1.418 20 5 DDBDRO CC[N@H+](C)Cc1cccc(CNC(=O)c2cc([N+](=O)[O-])n[nH]2)c1 ZINC000285035015 218264664 /nfs/dbraw/zinc/26/46/64/218264664.db2.gz GHEMFMMXAAHJSR-UHFFFAOYSA-N 1 0 317.349 1.700 20 5 DDBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)N1CCNC1=O ZINC000056197152 184007045 /nfs/dbraw/zinc/00/70/45/184007045.db2.gz CMFMHZIMMXZSSN-VHSXEESVSA-N 1 0 306.322 1.186 20 5 DDBDRO O=C(NCCC[NH+]1CCCC1)NCCc1ccccc1[N+](=O)[O-] ZINC000340997408 251326593 /nfs/dbraw/zinc/32/65/93/251326593.db2.gz WIFOAICXWHOJNG-UHFFFAOYSA-N 1 0 320.393 1.922 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000341062320 251362125 /nfs/dbraw/zinc/36/21/25/251362125.db2.gz PTDMHUDCRINCOH-VXGBXAGGSA-N 1 0 323.397 1.479 20 5 DDBDRO C[NH2+]Cc1cccc(NC(=O)c2c([N+](=O)[O-])c(C)nn2C)c1 ZINC000269135522 207265423 /nfs/dbraw/zinc/26/54/23/207265423.db2.gz QYCKPDOKWVJUFV-UHFFFAOYSA-N 1 0 303.322 1.608 20 5 DDBDRO CC(C)(C)[C@@H](C[NH3+])NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000567674331 304232866 /nfs/dbraw/zinc/23/28/66/304232866.db2.gz ITZRZAFSVRZKPV-GFCCVEGCSA-N 1 0 309.322 1.427 20 5 DDBDRO O=C(CC[NH2+]CC(=O)N1CCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000567679763 304233682 /nfs/dbraw/zinc/23/36/82/304233682.db2.gz FGXXVGGGECFCFN-UHFFFAOYSA-N 1 0 320.349 1.135 20 5 DDBDRO COC(=O)[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000352417932 285037359 /nfs/dbraw/zinc/03/73/59/285037359.db2.gz WHRRDHIYLSHZOJ-GFCCVEGCSA-N 1 0 308.334 1.988 20 5 DDBDRO CNc1nc(C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000455838561 533078411 /nfs/dbraw/zinc/07/84/11/533078411.db2.gz BNYBCQZIDVJHEY-GHMZBOCLSA-N 1 0 321.381 1.634 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1CN1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000352540088 285127115 /nfs/dbraw/zinc/12/71/15/285127115.db2.gz GXUCPHPQVZWUGE-MRXNPFEDSA-N 1 0 304.394 1.383 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCCc3occc3C2)c1 ZINC000288708673 220361258 /nfs/dbraw/zinc/36/12/58/220361258.db2.gz FEPOSAINMNUIKU-CYBMUJFWSA-N 1 0 306.322 1.194 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C)[C@H](C)CO ZINC000295773161 533138035 /nfs/dbraw/zinc/13/80/35/533138035.db2.gz QBCNEYHXHJEQTH-NXEZZACHSA-N 1 0 311.338 1.148 20 5 DDBDRO C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000155392132 197050800 /nfs/dbraw/zinc/05/08/00/197050800.db2.gz OQRCQNIWMKXKQK-TXEJJXNPSA-N 1 0 307.350 1.525 20 5 DDBDRO CC(C)n1cc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])nn1 ZINC000289649611 221129218 /nfs/dbraw/zinc/12/92/18/221129218.db2.gz CBDDBFVPSYKGQN-UHFFFAOYSA-N 1 0 304.354 1.733 20 5 DDBDRO C[NH+](C)C1CN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C1 ZINC000294867572 224275401 /nfs/dbraw/zinc/27/54/01/224275401.db2.gz DNGFCECUJQHTRT-UHFFFAOYSA-N 1 0 315.333 1.371 20 5 DDBDRO Cc1cc(C)c(OC[C@@H](O)CN2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000414146198 224305936 /nfs/dbraw/zinc/30/59/36/224305936.db2.gz QCQYUENHUCPSGY-AWEZNQCLSA-N 1 0 323.393 1.199 20 5 DDBDRO C[C@@H]1CSC[C@@H]1[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000352813287 285317484 /nfs/dbraw/zinc/31/74/84/285317484.db2.gz AVCUTAIXRPCQSW-UTUOFQBUSA-N 1 0 312.391 1.676 20 5 DDBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000289939619 221329051 /nfs/dbraw/zinc/32/90/51/221329051.db2.gz WAMQLMRNRBMLBF-QWHCGFSZSA-N 1 0 318.377 1.465 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000414649825 533225430 /nfs/dbraw/zinc/22/54/30/533225430.db2.gz CMZZLCVXASDYSP-VHSXEESVSA-N 1 0 308.338 1.804 20 5 DDBDRO CC[NH+](CC)CCCNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000074441009 184985750 /nfs/dbraw/zinc/98/57/50/184985750.db2.gz VLVIWMINYQKXOS-UHFFFAOYSA-N 1 0 319.365 1.933 20 5 DDBDRO C[C@@H]([NH2+]CCN1C(=O)N[C@H](C)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000459399592 533393355 /nfs/dbraw/zinc/39/33/55/533393355.db2.gz VNELZJINRDDBPP-NXEZZACHSA-N 1 0 306.322 1.186 20 5 DDBDRO C[C@@H]([NH2+]CCN1C(=O)N[C@H](C)C1=O)c1ccccc1[N+](=O)[O-] ZINC000459388964 533394142 /nfs/dbraw/zinc/39/41/42/533394142.db2.gz PSVNFUORNZGMML-NXEZZACHSA-N 1 0 306.322 1.186 20 5 DDBDRO CO[C@@H]1CCN(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)[C@@H](C[NH3+])C1 ZINC000414666964 533403468 /nfs/dbraw/zinc/40/34/68/533403468.db2.gz XEIIRWABCPWWDF-CHWSQXEVSA-N 1 0 322.365 1.873 20 5 DDBDRO COc1ccc(CNC(=O)N2CCC(C[NH3+])CC2)cc1[N+](=O)[O-] ZINC000417199811 533596066 /nfs/dbraw/zinc/59/60/66/533596066.db2.gz YZMWYQWRVVAOLE-UHFFFAOYSA-N 1 0 322.365 1.484 20 5 DDBDRO COc1ccc(CNC(=O)NC[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000417193958 533619338 /nfs/dbraw/zinc/61/93/38/533619338.db2.gz PQTDNVUKQGXYAA-LLVKDONJSA-N 1 0 308.338 1.155 20 5 DDBDRO COc1ccc(CNC(=O)NC[C@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000417181132 533617551 /nfs/dbraw/zinc/61/75/51/533617551.db2.gz HSJWNYCCIZQHBV-NSHDSACASA-N 1 0 310.354 1.386 20 5 DDBDRO C[NH+](C)Cc1ccc(CNC(=O)c2cc([N+](=O)[O-])c[nH]2)cc1 ZINC000353109821 285525738 /nfs/dbraw/zinc/52/57/38/285525738.db2.gz KBZGJQBYLUGETJ-UHFFFAOYSA-N 1 0 302.334 1.915 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@@H]([NH3+])C[C@H]1C ZINC000569017349 304330837 /nfs/dbraw/zinc/33/08/37/304330837.db2.gz IRDZNEBTSJTOKK-GHMZBOCLSA-N 1 0 322.365 1.354 20 5 DDBDRO Cn1cncc1CC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000569833427 304381157 /nfs/dbraw/zinc/38/11/57/304381157.db2.gz HUJQMZAGXXFPTK-UONOGXRCSA-N 1 0 318.381 1.841 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)c1 ZINC000272937204 286381645 /nfs/dbraw/zinc/38/16/45/286381645.db2.gz LOBTVBQDHRFCOK-LLVKDONJSA-N 1 0 319.361 1.984 20 5 DDBDRO CCC[NH2+][C@@H](C)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000569967356 304388373 /nfs/dbraw/zinc/38/83/73/304388373.db2.gz LEKPGIVMXIMIQF-NSHDSACASA-N 1 0 309.370 1.343 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H]2CCc3ccc(F)cc32)c1 ZINC000570082308 304394632 /nfs/dbraw/zinc/39/46/32/304394632.db2.gz ICUJXNOZFGMHOY-DZGCQCFKSA-N 1 0 320.324 1.568 20 5 DDBDRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000570674999 304418773 /nfs/dbraw/zinc/41/87/73/304418773.db2.gz BQPMWTZYVZAXQN-MWLCHTKSSA-N 1 0 321.333 1.571 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]([NH3+])C(C)C ZINC000070447566 406816310 /nfs/dbraw/zinc/81/63/10/406816310.db2.gz DOPAJVKEPFDMNQ-LLVKDONJSA-N 1 0 301.368 1.165 20 5 DDBDRO C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)COc1cccc([N+](=O)[O-])c1)C2 ZINC000073996775 406899955 /nfs/dbraw/zinc/89/99/55/406899955.db2.gz AIALVDZDZFIRHF-GXTWGEPZSA-N 1 0 319.361 1.669 20 5 DDBDRO O=[N+]([O-])c1ccc(CS(=O)(=O)NC[C@H]2CCC[NH2+]C2)cc1 ZINC000044502466 407025362 /nfs/dbraw/zinc/02/53/62/407025362.db2.gz NVCQQFLNXDWISD-LBPRGKRZSA-N 1 0 313.379 1.014 20 5 DDBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC000084439797 407089032 /nfs/dbraw/zinc/08/90/32/407089032.db2.gz JYKXYRVIIRXMEX-SECBINFHSA-N 1 0 318.782 1.773 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000086468828 407112278 /nfs/dbraw/zinc/11/22/78/407112278.db2.gz BJUWRIUPGYAILP-QWRGUYRKSA-N 1 0 313.379 1.274 20 5 DDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NCC[NH+](C)C)cc1OC ZINC000052893395 407158652 /nfs/dbraw/zinc/15/86/52/407158652.db2.gz AODYKVIBBIBQFM-UHFFFAOYSA-N 1 0 311.338 1.294 20 5 DDBDRO Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000091081657 407177362 /nfs/dbraw/zinc/17/73/62/407177362.db2.gz JJCWLFCATOGALW-ZDUSSCGKSA-N 1 0 304.354 1.968 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCC[NH2+]CC2)c1C ZINC000122841492 407312553 /nfs/dbraw/zinc/31/25/53/407312553.db2.gz VMAVLGKUHZRBNV-UHFFFAOYSA-N 1 0 313.379 1.196 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000124721029 407367925 /nfs/dbraw/zinc/36/79/25/407367925.db2.gz XNRBTZVELILIHX-ZYHUDNBSSA-N 1 0 306.366 1.853 20 5 DDBDRO C[N@@H+]1CCC[C@@H](CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000108562523 407388551 /nfs/dbraw/zinc/38/85/51/407388551.db2.gz UQLZLLIEQYMZGI-AWEZNQCLSA-N 1 0 320.393 1.778 20 5 DDBDRO Cc1nn(C)c(C(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000126237109 407409282 /nfs/dbraw/zinc/40/92/82/407409282.db2.gz UMQOGJQANOALJJ-QWRGUYRKSA-N 1 0 323.397 1.487 20 5 DDBDRO C[N@@H+]1CCC[C@@H]1CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000170639935 407460862 /nfs/dbraw/zinc/46/08/62/407460862.db2.gz VNZGNYLUFWGRDA-LLVKDONJSA-N 1 0 304.350 1.986 20 5 DDBDRO C[C@@H]1c2ccccc2CC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266540028 407551935 /nfs/dbraw/zinc/55/19/35/407551935.db2.gz PRXSKKMKVQBXKL-IUODEOHRSA-N 1 0 316.361 1.772 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000171067824 407585100 /nfs/dbraw/zinc/58/51/00/407585100.db2.gz SCCBIVDBQNRPFS-NSHDSACASA-N 1 0 308.338 1.771 20 5 DDBDRO C[C@@H]([NH2+]CCC(=O)N1CCN(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000178674103 407540343 /nfs/dbraw/zinc/54/03/43/407540343.db2.gz VFBHUMGLXGZOMM-CYBMUJFWSA-N 1 0 320.393 1.410 20 5 DDBDRO C[NH+](C)C[C@H]1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000114148426 407544024 /nfs/dbraw/zinc/54/40/24/407544024.db2.gz VKIGAZMJLRDQET-GFCCVEGCSA-N 1 0 307.350 1.384 20 5 DDBDRO C[C@]1(C[NH3+])CCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000261790682 407615940 /nfs/dbraw/zinc/61/59/40/407615940.db2.gz XSGXMXAEGGYSNP-CYBMUJFWSA-N 1 0 313.379 1.095 20 5 DDBDRO C[C@H]([NH2+]CCCN1CCC[C@@H]1C(N)=O)c1cccc([N+](=O)[O-])c1 ZINC000266820972 407646296 /nfs/dbraw/zinc/64/62/96/407646296.db2.gz ZDLAJTJCQAGOIE-SWLSCSKDSA-N 1 0 320.393 1.585 20 5 DDBDRO C[NH+](C)C[C@@](C)(O)CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000152686162 407670715 /nfs/dbraw/zinc/67/07/15/407670715.db2.gz FNHBWOUICYABKV-ZDUSSCGKSA-N 1 0 315.757 1.291 20 5 DDBDRO NC(=O)c1ccc(CN2CC[C@H]3CC[C@@H](C2)[NH2+]3)c([N+](=O)[O-])c1 ZINC000262128308 407748874 /nfs/dbraw/zinc/74/88/74/407748874.db2.gz LICYRUIESWOPEP-OLZOCXBDSA-N 1 0 304.350 1.020 20 5 DDBDRO CC(C)N1CC[C@H](N2CCc3c(cccc3[N+](=O)[O-])C2)C1=O ZINC000153122175 407759737 /nfs/dbraw/zinc/75/97/37/407759737.db2.gz XTDAZFGSTAOHPI-HNNXBMFYSA-N 1 0 303.362 1.962 20 5 DDBDRO C[C@]1(CCCO)CCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000272064235 407761224 /nfs/dbraw/zinc/76/12/24/407761224.db2.gz XIJWNPQMJFRSDG-OAHLLOKOSA-N 1 0 309.366 1.384 20 5 DDBDRO O=C(c1n[nH]cc1[N+](=O)[O-])N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000132198346 407774317 /nfs/dbraw/zinc/77/43/17/407774317.db2.gz OEUKJOFUIRGNJN-NSHDSACASA-N 1 0 307.354 1.408 20 5 DDBDRO C[NH+](C)C[C@H]1CN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CCO1 ZINC000116798138 407780908 /nfs/dbraw/zinc/78/09/08/407780908.db2.gz RUSADUNWBDLOBQ-LFAOLKIESA-N 1 0 319.361 1.397 20 5 DDBDRO CCc1n[nH]c(C(=O)NC[C@H]2CCCC[N@H+]2CC)c1[N+](=O)[O-] ZINC000171873521 407786922 /nfs/dbraw/zinc/78/69/22/407786922.db2.gz RLYZYNHKVCBBRR-SNVBAGLBSA-N 1 0 309.370 1.485 20 5 DDBDRO C[NH2+]Cc1ccccc1NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000237124226 407795278 /nfs/dbraw/zinc/79/52/78/407795278.db2.gz PEPCZVBJAWWPRR-UHFFFAOYSA-N 1 0 303.322 1.540 20 5 DDBDRO CO[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2C)[C@@H](C[NH3+])C1 ZINC000262327469 407799968 /nfs/dbraw/zinc/79/99/68/407799968.db2.gz SAFAHVQBDBSDQE-CHWSQXEVSA-N 1 0 307.350 1.482 20 5 DDBDRO C[NH2+]C[C@H]1CCCN(C(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000237290871 407810700 /nfs/dbraw/zinc/81/07/00/407810700.db2.gz IYYXMUGDDKMCAD-CQSZACIVSA-N 1 0 305.378 1.985 20 5 DDBDRO CC[NH2+][C@H](C)CNS(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000262423371 407831459 /nfs/dbraw/zinc/83/14/59/407831459.db2.gz BVETVWXNFRRBHG-SNVBAGLBSA-N 1 0 315.395 1.488 20 5 DDBDRO CC[NH2+][C@H](C)CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000262443618 407836262 /nfs/dbraw/zinc/83/62/62/407836262.db2.gz IDDLGJZZMOSXTC-LLVKDONJSA-N 1 0 317.349 1.508 20 5 DDBDRO CN(C(=O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[N@H+](C)C1 ZINC000153582400 407853624 /nfs/dbraw/zinc/85/36/24/407853624.db2.gz AZTAFLKBERKPEJ-CYBMUJFWSA-N 1 0 307.350 1.526 20 5 DDBDRO O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)C1CC[NH2+]CC1 ZINC000237950229 407855063 /nfs/dbraw/zinc/85/50/63/407855063.db2.gz COTOZAHAEZHUNR-UHFFFAOYSA-N 1 0 315.333 1.923 20 5 DDBDRO O=C(NC[C@H]1CCCC[NH2+]1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000237982967 407863461 /nfs/dbraw/zinc/86/34/61/407863461.db2.gz ZDIRAEHYSPVJFD-SECBINFHSA-N 1 0 303.322 1.343 20 5 DDBDRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000238006163 407866405 /nfs/dbraw/zinc/86/64/05/407866405.db2.gz LJUVQDJNHQLKMW-VXGBXAGGSA-N 1 0 306.366 1.640 20 5 DDBDRO O=C(C[NH2+]CC1CC1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000262677008 407898308 /nfs/dbraw/zinc/89/83/08/407898308.db2.gz SVFHURZQLQJTAA-GFCCVEGCSA-N 1 0 319.365 1.002 20 5 DDBDRO CC(C)(C[NH3+])NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000262763541 407918987 /nfs/dbraw/zinc/91/89/87/407918987.db2.gz SKTMPJAERBLFIC-UHFFFAOYSA-N 1 0 307.759 1.264 20 5 DDBDRO Cn1ncc2c1CCC[C@@H]2[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000135560722 408032141 /nfs/dbraw/zinc/03/21/41/408032141.db2.gz WFJNOHUDNMQRMV-ZDUSSCGKSA-N 1 0 304.354 1.534 20 5 DDBDRO Cc1nc(NCCC[N@@H+]2CCC[C@@H]2C(N)=O)ccc1[N+](=O)[O-] ZINC000268505467 408074269 /nfs/dbraw/zinc/07/42/69/408074269.db2.gz QYJCYZHVXLHHHI-GFCCVEGCSA-N 1 0 307.354 1.050 20 5 DDBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cccc([N+](=O)[O-])c3N)CC[C@@H]21 ZINC000154825454 408091524 /nfs/dbraw/zinc/09/15/24/408091524.db2.gz OJFLDAZPXYRQNP-YPMHNXCESA-N 1 0 318.377 1.733 20 5 DDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000189994109 408143117 /nfs/dbraw/zinc/14/31/17/408143117.db2.gz MLZRVGDEEMDNMS-UHFFFAOYSA-N 1 0 318.377 1.781 20 5 DDBDRO C[C@@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1cnn(C)c1 ZINC000273382512 408176747 /nfs/dbraw/zinc/17/67/47/408176747.db2.gz MXUSITXFXBNDLD-LLVKDONJSA-N 1 0 317.349 1.642 20 5 DDBDRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNc1ccccc1[N+](=O)[O-] ZINC000263646377 408188532 /nfs/dbraw/zinc/18/85/32/408188532.db2.gz ASRWJJVSPZDJET-HNNXBMFYSA-N 1 0 320.393 1.949 20 5 DDBDRO CC(=O)N1CC[C@H](C[N@H+](C)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000156444273 408256108 /nfs/dbraw/zinc/25/61/08/408256108.db2.gz TXDRQJJIRSCENJ-CQSZACIVSA-N 1 0 321.377 1.774 20 5 DDBDRO CC(=O)N1CC[C@@H](C[N@H+](C)CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000156455257 408260676 /nfs/dbraw/zinc/26/06/76/408260676.db2.gz HQVGIXBUAWPYII-AWEZNQCLSA-N 1 0 321.377 1.774 20 5 DDBDRO C[C@H](CNc1ccc([N+](=O)[O-])c2nonc21)N1CC[NH+](C)CC1 ZINC000263919405 408314597 /nfs/dbraw/zinc/31/45/97/408314597.db2.gz RWFDXSJZRRUXNN-SNVBAGLBSA-N 1 0 320.353 1.179 20 5 DDBDRO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000157649390 408310154 /nfs/dbraw/zinc/31/01/54/408310154.db2.gz VWIVDVULCOCREJ-RYUDHWBXSA-N 1 0 306.366 1.640 20 5 DDBDRO NC(=O)c1ccc(C[N@@H+]2CC[C@@H]3OCCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000246838158 408351428 /nfs/dbraw/zinc/35/14/28/408351428.db2.gz SUENZZMPOSULBG-ZFWWWQNUSA-N 1 0 319.361 1.695 20 5 DDBDRO C[C@H]([NH2+]C[C@@H]1CC[C@H](C(=O)N(C)C)O1)c1cccc([N+](=O)[O-])c1 ZINC000183464895 408418853 /nfs/dbraw/zinc/41/88/53/408418853.db2.gz WKOIZPZWYRYMBU-TUKIKUTGSA-N 1 0 321.377 1.881 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@H](CO)c2ccccc2)c1 ZINC000183632780 408460005 /nfs/dbraw/zinc/46/00/05/408460005.db2.gz UQTYAYSQDHIMGN-CVEARBPZSA-N 1 0 302.330 1.951 20 5 DDBDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1ccc([N+](=O)[O-])s1 ZINC000160153146 408460245 /nfs/dbraw/zinc/46/02/45/408460245.db2.gz ZVXNGBYUGJPYKP-JTQLQIEISA-N 1 0 313.379 1.233 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)n1 ZINC000191783808 408491348 /nfs/dbraw/zinc/49/13/48/408491348.db2.gz KHRLFCIDMYATHE-RYUDHWBXSA-N 1 0 323.397 1.661 20 5 DDBDRO Cc1cc(C[NH+](C)C)cc(NC(=O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000270392484 408515358 /nfs/dbraw/zinc/51/53/58/408515358.db2.gz SDBONZIYYJSRIQ-UHFFFAOYSA-N 1 0 317.349 1.800 20 5 DDBDRO CCc1ccc(C(=O)NCC[N@H+](CC)CCO)cc1[N+](=O)[O-] ZINC000183993202 408523876 /nfs/dbraw/zinc/52/38/76/408523876.db2.gz GUWXAHQDVVQVRB-UHFFFAOYSA-N 1 0 309.366 1.201 20 5 DDBDRO C[NH+](C)[C@@H]1CCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000270503126 408553631 /nfs/dbraw/zinc/55/36/31/408553631.db2.gz KISCSTKIHMODPY-CQSZACIVSA-N 1 0 306.366 1.483 20 5 DDBDRO C[NH+](C)Cc1cc(CNc2ncc([N+](=O)[O-])c(N)n2)ccc1F ZINC000265245320 408591259 /nfs/dbraw/zinc/59/12/59/408591259.db2.gz PUHJASWMYSJSHX-UHFFFAOYSA-N 1 0 320.328 1.780 20 5 DDBDRO Cc1cc(C(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c(N)c([N+](=O)[O-])c1 ZINC000192484770 408596601 /nfs/dbraw/zinc/59/66/01/408596601.db2.gz LPNOFZMLSQZYAL-PHIMTYICSA-N 1 0 304.350 1.119 20 5 DDBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC000265493798 408671848 /nfs/dbraw/zinc/67/18/48/408671848.db2.gz LFKLZOHOFYRUOO-UHFFFAOYSA-N 1 0 320.393 1.847 20 5 DDBDRO COc1cccc(C(=O)N2CCC([NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000192546765 408608018 /nfs/dbraw/zinc/60/80/18/408608018.db2.gz PTAAMDRGCVKYMS-UHFFFAOYSA-N 1 0 307.350 1.770 20 5 DDBDRO CN(C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1CC[NH2+]C1 ZINC000179091098 162711848 /nfs/dbraw/zinc/71/18/48/162711848.db2.gz RERQGDARWZVGET-CYBMUJFWSA-N 1 0 315.333 1.214 20 5 DDBDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000177592534 408665306 /nfs/dbraw/zinc/66/53/06/408665306.db2.gz XUAVIGCCSUNLNB-VXGBXAGGSA-N 1 0 306.366 1.780 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C)[C@H]1CCOC1 ZINC000162799418 408736511 /nfs/dbraw/zinc/73/65/11/408736511.db2.gz ZIPOCKJQFDIFHY-QWRGUYRKSA-N 1 0 323.349 1.557 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+](CCO)C2CCC2)c1 ZINC000275801260 408682953 /nfs/dbraw/zinc/68/29/53/408682953.db2.gz GFYKAQXAXLMCLJ-CQSZACIVSA-N 1 0 310.350 1.181 20 5 DDBDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000178193191 408785893 /nfs/dbraw/zinc/78/58/93/408785893.db2.gz LUWSFCMYYCQSCS-NSHDSACASA-N 1 0 322.365 1.018 20 5 DDBDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000178193175 408786204 /nfs/dbraw/zinc/78/62/04/408786204.db2.gz LUWSFCMYYCQSCS-LLVKDONJSA-N 1 0 322.365 1.018 20 5 DDBDRO C[NH+](C)CC1(CNC(=O)c2cc([N+](=O)[O-])cnc2N)CCCC1 ZINC000185078914 408752632 /nfs/dbraw/zinc/75/26/32/408752632.db2.gz USCPZXXKRNJHAL-UHFFFAOYSA-N 1 0 321.381 1.424 20 5 DDBDRO C[C@@H](C[S@@](C)=O)[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000185105871 408759026 /nfs/dbraw/zinc/75/90/26/408759026.db2.gz VCVIFEGTUZTYFE-PRWKNARSSA-N 1 0 300.380 1.672 20 5 DDBDRO C[NH+](C)CCCNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000276109060 408821253 /nfs/dbraw/zinc/82/12/53/408821253.db2.gz VLUBLFQSIBXIMS-UHFFFAOYSA-N 1 0 301.368 1.362 20 5 DDBDRO C[C@@H](CC[NH+](C)C)Nc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000276144920 408822810 /nfs/dbraw/zinc/82/28/10/408822810.db2.gz CWCGVXUVKQLULB-JTQLQIEISA-N 1 0 315.395 1.750 20 5 DDBDRO COCCOCCOCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000276145256 408822927 /nfs/dbraw/zinc/82/29/27/408822927.db2.gz FJVHOBXDAPQMMY-UHFFFAOYSA-N 1 0 312.366 1.706 20 5 DDBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000276501250 408872110 /nfs/dbraw/zinc/87/21/10/408872110.db2.gz JMWODCZBGYTLRB-OTYXRUKQSA-N 1 0 304.350 1.390 20 5 DDBDRO COC(=O)c1cnc(N2CC[C@H]([NH+]3CC=CC3)C2)c([N+](=O)[O-])c1 ZINC000276657733 408894460 /nfs/dbraw/zinc/89/44/60/408894460.db2.gz CKTFWFABLNOZQG-LBPRGKRZSA-N 1 0 318.333 1.227 20 5 DDBDRO COC(=O)[C@]1(C)C[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000282261608 409021273 /nfs/dbraw/zinc/02/12/73/409021273.db2.gz CVQMMJVAEOFLSY-DJSGYFEHSA-N 1 0 322.361 1.759 20 5 DDBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000287413403 409034358 /nfs/dbraw/zinc/03/43/58/409034358.db2.gz ZOHKURQVQWIZFL-ZYHUDNBSSA-N 1 0 320.349 1.394 20 5 DDBDRO CN(C(=O)C[N@H+](C)CCCCCO)c1ccc([N+](=O)[O-])cc1 ZINC000278977720 409124638 /nfs/dbraw/zinc/12/46/38/409124638.db2.gz YQMBYBNYJQOQNR-UHFFFAOYSA-N 1 0 309.366 1.652 20 5 DDBDRO Cc1n[nH]c(C(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000293578268 409142128 /nfs/dbraw/zinc/14/21/28/409142128.db2.gz AYPICKHIBXWTIC-JTQLQIEISA-N 1 0 321.381 1.573 20 5 DDBDRO C[C@@H](CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)C[NH+](C)C ZINC000293770611 409177061 /nfs/dbraw/zinc/17/70/61/409177061.db2.gz NNTHGVOMGWMNOP-VIFPVBQESA-N 1 0 309.322 1.251 20 5 DDBDRO CN(C)c1cc(F)c(C(=O)NC[C@@H]2CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000279273767 409183165 /nfs/dbraw/zinc/18/31/65/409183165.db2.gz WOBVUHQGAKPONT-JTQLQIEISA-N 1 0 324.356 1.481 20 5 DDBDRO CN(C)CC[N@H+](C)CCCNc1ncc([N+](=O)[O-])cc1Cl ZINC000288820786 409183267 /nfs/dbraw/zinc/18/32/67/409183267.db2.gz HLVJTCFDTCQWBH-UHFFFAOYSA-N 1 0 315.805 1.939 20 5 DDBDRO C[C@@H](CNC(=O)COc1ccc(C=O)cc1[N+](=O)[O-])C[NH+](C)C ZINC000293985803 409221329 /nfs/dbraw/zinc/22/13/29/409221329.db2.gz XSWORCFCXQEZFC-NSHDSACASA-N 1 0 323.349 1.100 20 5 DDBDRO CC(C)S(=O)(=O)CC[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294295070 409273848 /nfs/dbraw/zinc/27/38/48/409273848.db2.gz MYDPAZADRQRMDC-SNVBAGLBSA-N 1 0 315.395 1.651 20 5 DDBDRO CC1(C)C[C@@H](O)CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000296047300 409411086 /nfs/dbraw/zinc/41/10/86/409411086.db2.gz NMOJVCZPCHMFCC-ZDUSSCGKSA-N 1 0 321.377 1.677 20 5 DDBDRO CC(C)[N@@H+]1CCCN(c2nccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000290612819 409460754 /nfs/dbraw/zinc/46/07/54/409460754.db2.gz KLFUJRXXLWXYOK-UHFFFAOYSA-N 1 0 307.354 1.009 20 5 DDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H](C)CCC[NH3+] ZINC000313558870 164010752 /nfs/dbraw/zinc/01/07/52/164010752.db2.gz TXHLPYARYVBKMN-VIFPVBQESA-N 1 0 301.368 1.309 20 5 DDBDRO COc1ccc(C[NH2+]C2CCC(C(N)=O)CC2)cc1[N+](=O)[O-] ZINC000314702713 164016258 /nfs/dbraw/zinc/01/62/58/164016258.db2.gz HARBFMDIQIGVPY-UHFFFAOYSA-N 1 0 307.350 1.737 20 5 DDBDRO CNc1c(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)cccc1[N+](=O)[O-] ZINC000317037813 164024934 /nfs/dbraw/zinc/02/49/34/164024934.db2.gz RKJBJWNUNWEVEP-NSHDSACASA-N 1 0 306.366 1.803 20 5 DDBDRO CNc1c(C(=O)NCC(C)(C)C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000317144542 164025987 /nfs/dbraw/zinc/02/59/87/164025987.db2.gz QQKAWGGDYMPAOW-UHFFFAOYSA-N 1 0 308.382 1.954 20 5 DDBDRO C[NH+]1CCN(CCCNc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000296220845 409467929 /nfs/dbraw/zinc/46/79/29/409467929.db2.gz DEQUUASWYXFJAM-UHFFFAOYSA-N 1 0 318.381 1.521 20 5 DDBDRO CC[C@H]1CCCC[N@@H+]1CCNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290674998 409484287 /nfs/dbraw/zinc/48/42/87/409484287.db2.gz RPLPIDOWTDAVQR-NSHDSACASA-N 1 0 321.381 1.765 20 5 DDBDRO O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CC[NH+]2CCC1CC2 ZINC000408278642 164283735 /nfs/dbraw/zinc/28/37/35/164283735.db2.gz XKMCRDCWVCNFSG-UHFFFAOYSA-N 1 0 314.345 1.996 20 5 DDBDRO CCCc1n[nH]c(C(=O)N[C@H](C)C[N@H+](C)C(C)C)c1[N+](=O)[O-] ZINC000356811742 409628058 /nfs/dbraw/zinc/62/80/58/409628058.db2.gz PPHSXLWOGHBMEO-SNVBAGLBSA-N 1 0 311.386 1.729 20 5 DDBDRO CCOc1ccc(NC(=O)CN2CCC[C@@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000346068909 409752590 /nfs/dbraw/zinc/75/25/90/409752590.db2.gz JLHWQNVSIOIYAJ-LLVKDONJSA-N 1 0 322.365 1.355 20 5 DDBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])nn2C)C[C@H]1C ZINC000357049849 409819362 /nfs/dbraw/zinc/81/93/62/409819362.db2.gz HOLQMOAPOWWGLM-MNOVXSKESA-N 1 0 309.370 1.273 20 5 DDBDRO COc1cccc(C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)c1[N+](=O)[O-] ZINC000346325883 409917944 /nfs/dbraw/zinc/91/79/44/409917944.db2.gz RRRDAOYGYDFOES-INIZCTEOSA-N 1 0 319.361 1.771 20 5 DDBDRO C[N@@H+]1CCC[C@H]1CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342922040 410002319 /nfs/dbraw/zinc/00/23/19/410002319.db2.gz UAOJLNKCOJYTTK-JTQLQIEISA-N 1 0 302.334 1.900 20 5 DDBDRO COC(=O)c1cc(C)nc(N[C@H]2CCC[C@H]2[NH+](C)C)c1[N+](=O)[O-] ZINC000342999349 410066412 /nfs/dbraw/zinc/06/64/12/410066412.db2.gz YZCYHXPLAOJDSU-NWDGAFQWSA-N 1 0 322.365 1.979 20 5 DDBDRO CC[N@@H+]1C[C@H](C)N(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000346759146 410135502 /nfs/dbraw/zinc/13/55/02/410135502.db2.gz APHFVAVIVLZCLM-NEPJUHHUSA-N 1 0 323.397 1.468 20 5 DDBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000346759152 410136485 /nfs/dbraw/zinc/13/64/85/410136485.db2.gz APHFVAVIVLZCLM-NWDGAFQWSA-N 1 0 323.397 1.468 20 5 DDBDRO C[C@@H]1CN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H](C)[NH+]1C ZINC000339618879 410333718 /nfs/dbraw/zinc/33/37/18/410333718.db2.gz GNSGIIAPTLFDFG-NFAWXSAZSA-N 1 0 323.393 1.359 20 5 DDBDRO C[C@H](c1nncn1C)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000346993218 410296622 /nfs/dbraw/zinc/29/66/22/410296622.db2.gz IRDFXTRYNRDOCV-GHMZBOCLSA-N 1 0 317.353 1.366 20 5 DDBDRO COC(=O)[C@@H]1CCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000298777818 410393225 /nfs/dbraw/zinc/39/32/25/410393225.db2.gz DIIBZXMFQSDFJR-WDEREUQCSA-N 1 0 321.333 1.417 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1CN1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000355335627 410451191 /nfs/dbraw/zinc/45/11/91/410451191.db2.gz TYYMQOIXIOXHGC-CYBMUJFWSA-N 1 0 307.398 1.492 20 5 DDBDRO Cn1cc(C[N@H+](C)C2CC(O)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000355375689 410480638 /nfs/dbraw/zinc/48/06/38/410480638.db2.gz VIUKMDVBBKJJLD-UHFFFAOYSA-N 1 0 316.361 1.950 20 5 DDBDRO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCSC[C@H]1CCO ZINC000347391510 410517212 /nfs/dbraw/zinc/51/72/12/410517212.db2.gz PLKWOBLLBXTRQN-GFCCVEGCSA-N 1 0 312.391 1.773 20 5 DDBDRO COCC[N@@H+]1CC[C@H](Nc2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000347469558 410568069 /nfs/dbraw/zinc/56/80/69/410568069.db2.gz ZADUZMMJPMHGDP-NSHDSACASA-N 1 0 317.349 1.671 20 5 DDBDRO CC[C@H](C)[N@H+](CCO)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000347480437 410577264 /nfs/dbraw/zinc/57/72/64/410577264.db2.gz RCPNUUPTIDFHAB-QWHCGFSZSA-N 1 0 312.366 1.427 20 5 DDBDRO C[NH+]1CCC(CNc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CC1 ZINC000301132921 410663384 /nfs/dbraw/zinc/66/33/84/410663384.db2.gz XPIAHHDRLLZSHD-UHFFFAOYSA-N 1 0 317.349 1.997 20 5 DDBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000359354891 410617283 /nfs/dbraw/zinc/61/72/83/410617283.db2.gz VEYHAIPMODNPCT-ZDUSSCGKSA-N 1 0 318.377 1.673 20 5 DDBDRO C[C@@H]1C[C@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000352952631 410698511 /nfs/dbraw/zinc/69/85/11/410698511.db2.gz VXJVMUKNUPRGIM-GHMZBOCLSA-N 1 0 313.379 1.356 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)c1 ZINC000343829906 410732024 /nfs/dbraw/zinc/73/20/24/410732024.db2.gz NHUCSGXQWPTVRC-YGRLFVJLSA-N 1 0 319.361 1.816 20 5 DDBDRO CC[NH+]1CCN([C@H](C)CNc2ccc([N+](=O)[O-])c(C)n2)CC1 ZINC000301668473 410767175 /nfs/dbraw/zinc/76/71/75/410767175.db2.gz XVFGRAOKXSJOFA-GFCCVEGCSA-N 1 0 307.398 1.736 20 5 DDBDRO COc1cc(C[NH2+]C[C@H](CO)C2CC2)c([N+](=O)[O-])cc1OC ZINC000353078527 410772471 /nfs/dbraw/zinc/77/24/71/410772471.db2.gz HVSYPYHTGJKUGA-GFCCVEGCSA-N 1 0 310.350 1.720 20 5 DDBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000359783585 410877174 /nfs/dbraw/zinc/87/71/74/410877174.db2.gz HVAGPFLYJSXNGN-NSHDSACASA-N 1 0 311.386 1.661 20 5 DDBDRO CCCc1n[nH]c(C(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000348517846 410994154 /nfs/dbraw/zinc/99/41/54/410994154.db2.gz YSFNXIDFZDVPPO-NSHDSACASA-N 1 0 321.381 1.579 20 5 DDBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)CC1(O)CCC1 ZINC000353467881 411004888 /nfs/dbraw/zinc/00/48/88/411004888.db2.gz NFCNGFORNMYMHA-NSHDSACASA-N 1 0 307.350 1.769 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)N(C)CC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000331209644 411019253 /nfs/dbraw/zinc/01/92/53/411019253.db2.gz GYYWYEUXBVELNF-UHFFFAOYSA-N 1 0 309.370 1.609 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)NCC[N@@H+]2CCCC[C@H]2C)n1 ZINC000331209011 411021014 /nfs/dbraw/zinc/02/10/14/411021014.db2.gz QBQFQONQAIEBOI-LLVKDONJSA-N 1 0 309.370 1.415 20 5 DDBDRO Cc1cc(N(C)C2CC[NH+](CCO)CC2)c(F)cc1[N+](=O)[O-] ZINC000360083869 411036681 /nfs/dbraw/zinc/03/66/81/411036681.db2.gz RKAULWSYYTUMEE-UHFFFAOYSA-N 1 0 311.357 1.935 20 5 DDBDRO CCCN(C(=O)c1cc(OC)ccc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000580063664 422880856 /nfs/dbraw/zinc/88/08/56/422880856.db2.gz YWOGYAMDBHHQAY-LLVKDONJSA-N 1 0 307.350 1.818 20 5 DDBDRO C[NH2+][C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C1 ZINC000133262588 196326068 /nfs/dbraw/zinc/32/60/68/196326068.db2.gz GWXVCKNRZVRNQH-LLVKDONJSA-N 1 0 306.366 1.485 20 5 DDBDRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000417232755 225256533 /nfs/dbraw/zinc/25/65/33/225256533.db2.gz MYEJLZCSGUBXTR-NWDGAFQWSA-N 1 0 306.366 1.529 20 5 DDBDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000417237698 225258787 /nfs/dbraw/zinc/25/87/87/225258787.db2.gz XMMMYNMZDQRAAM-AAEUAGOBSA-N 1 0 306.366 1.516 20 5 DDBDRO O=C(NCCC[NH2+]C1CC1)NCCc1ccc([N+](=O)[O-])cc1 ZINC000417236304 225259443 /nfs/dbraw/zinc/25/94/43/225259443.db2.gz UAVHCKXVSIYWOZ-UHFFFAOYSA-N 1 0 306.366 1.579 20 5 DDBDRO C[NH+](C)C1CCC(Nc2cccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000420633409 226520366 /nfs/dbraw/zinc/52/03/66/226520366.db2.gz YJVFOVLUKIOFEX-UHFFFAOYSA-N 1 0 306.366 1.978 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC2(CC[NH2+]2)CC1 ZINC000422626042 227078596 /nfs/dbraw/zinc/07/85/96/227078596.db2.gz DEIXVQHSVSWOLL-UHFFFAOYSA-N 1 0 318.377 1.670 20 5 DDBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@]2(CC[NH2+]C2)C1 ZINC000360565536 418466169 /nfs/dbraw/zinc/46/61/69/418466169.db2.gz VDSHMGHUJADGAH-LRDDRELGSA-N 1 0 318.377 1.607 20 5 DDBDRO O=C(c1ccc([N+](=O)[O-])cn1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000366142783 418433767 /nfs/dbraw/zinc/43/37/67/418433767.db2.gz MWLGCYLOZJSTGT-CYBMUJFWSA-N 1 0 304.350 1.690 20 5 DDBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@H](C)CC[NH+]1CCN(C)CC1 ZINC000361012714 418565259 /nfs/dbraw/zinc/56/52/59/418565259.db2.gz HCXGNKBEMNVJOI-GFCCVEGCSA-N 1 0 324.429 1.558 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC2(CCC[N@H+]2C)CC1 ZINC000374857977 418570947 /nfs/dbraw/zinc/57/09/47/418570947.db2.gz PQJWRYCZIGEZAY-UHFFFAOYSA-N 1 0 321.381 1.187 20 5 DDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000289341166 418574780 /nfs/dbraw/zinc/57/47/80/418574780.db2.gz WXBQWSKAVZNGQU-MRXNPFEDSA-N 1 0 303.362 1.739 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)NCCC[NH+]2CCCCCC2)n1 ZINC000191759940 222108931 /nfs/dbraw/zinc/10/89/31/222108931.db2.gz ALLXOJXTRHGOGZ-UHFFFAOYSA-N 1 0 323.397 1.807 20 5 DDBDRO Cc1c([C@@H]2CCC[N@@H+]2CCn2cc([N+](=O)[O-])cn2)cnn1C ZINC000367320674 418584028 /nfs/dbraw/zinc/58/40/28/418584028.db2.gz YIRCZSPTEPTPLU-AWEZNQCLSA-N 1 0 304.354 1.670 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)COc3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000375038637 418592730 /nfs/dbraw/zinc/59/27/30/418592730.db2.gz MAZJASZGVMQJJD-DOMZBBRYSA-N 1 0 319.361 1.526 20 5 DDBDRO COCC[C@@H]1COCCN1CCOc1ccccc1[N+](=O)[O-] ZINC000291296341 222293332 /nfs/dbraw/zinc/29/33/32/222293332.db2.gz RTDATBAAZFZMBM-CYBMUJFWSA-N 1 0 310.350 1.711 20 5 DDBDRO C[NH+](C)[C@H](CNc1ncnc2cccc([N+](=O)[O-])c21)C1CC1 ZINC000357322442 418651145 /nfs/dbraw/zinc/65/11/45/418651145.db2.gz IARNELPEJOHVTR-CYBMUJFWSA-N 1 0 301.350 2.290 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC[C@@H](n3cccn3)C2)c1 ZINC000368269711 418713232 /nfs/dbraw/zinc/71/32/32/418713232.db2.gz NADPGSWZQSMRDC-HUUCEWRRSA-N 1 0 302.334 1.772 20 5 DDBDRO CC[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000361593754 418689447 /nfs/dbraw/zinc/68/94/47/418689447.db2.gz HICVYHGTKJRNPY-KBPBESRZSA-N 1 0 310.350 1.445 20 5 DDBDRO CNc1ccc(C(=O)NC[C@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000387573795 418743404 /nfs/dbraw/zinc/74/34/04/418743404.db2.gz XOWQLLCTPICGLJ-LLVKDONJSA-N 1 0 306.366 1.708 20 5 DDBDRO O=C(C[C@H]1CCC[NH2+]CC1)NCCNc1ccccc1[N+](=O)[O-] ZINC000364464626 418778055 /nfs/dbraw/zinc/77/80/55/418778055.db2.gz HONLOOJBKLMYHL-ZDUSSCGKSA-N 1 0 320.393 1.903 20 5 DDBDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1c1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000408106101 418788861 /nfs/dbraw/zinc/78/88/61/418788861.db2.gz XBISAYXQOTZOKR-UWVGGRQHSA-N 1 0 317.349 1.772 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCCC[C@@H](CO)C1 ZINC000371688061 418809184 /nfs/dbraw/zinc/80/91/84/418809184.db2.gz CLWUJUQLBRZLQK-KGLIPLIRSA-N 1 0 324.377 1.429 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H]1CCCC[C@@H]1N1CCOCC1 ZINC000365595282 418879747 /nfs/dbraw/zinc/87/97/47/418879747.db2.gz CQNHHDLGTGPFLY-OLZOCXBDSA-N 1 0 323.397 1.061 20 5 DDBDRO CCCc1n[nH]c(C(=O)N2CC[C@]3(CCC[C@H]3[NH3+])C2)c1[N+](=O)[O-] ZINC000372788095 418902215 /nfs/dbraw/zinc/90/22/15/418902215.db2.gz TXJCABZQDQUKNR-IAQYHMDHSA-N 1 0 321.381 1.614 20 5 DDBDRO NC(=O)c1ccc(C[N@@H+]2CC[C@@H]([C@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC000372155909 418841066 /nfs/dbraw/zinc/84/10/66/418841066.db2.gz HVBCRMVCOPUPMB-OCCSQVGLSA-N 1 0 319.361 1.552 20 5 DDBDRO C[C@@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H]1CO ZINC000411607708 419360706 /nfs/dbraw/zinc/36/07/06/419360706.db2.gz DFUYVQOBKFOFGS-BXUZGUMPSA-N 1 0 307.350 1.626 20 5 DDBDRO C[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCCC[C@H]1O ZINC000426213358 419406956 /nfs/dbraw/zinc/40/69/56/419406956.db2.gz CDVMVPOUUDWCSP-GZBFAFLISA-N 1 0 324.377 1.570 20 5 DDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@H](C)C[C@@H](CO)C1 ZINC000420933435 419366340 /nfs/dbraw/zinc/36/63/40/419366340.db2.gz FYGHRIPISSZYKS-JHJVBQTASA-N 1 0 321.377 1.872 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2C[C@H](O)C[C@@H]2c2ccccc2)n1 ZINC000411948343 419512776 /nfs/dbraw/zinc/51/27/76/419512776.db2.gz PQNWEPGZLRNRRD-ZIAGYGMSSA-N 1 0 302.334 1.599 20 5 DDBDRO Cc1c(CNC(=O)NC[C@H]2C[NH2+]CCCO2)cccc1[N+](=O)[O-] ZINC000418079271 419515953 /nfs/dbraw/zinc/51/59/53/419515953.db2.gz KSPRMUYRWAHZBS-CYBMUJFWSA-N 1 0 322.365 1.081 20 5 DDBDRO Cc1c(CNC(=O)N2C[C@H](C[NH3+])C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000418079213 419516120 /nfs/dbraw/zinc/51/61/20/419516120.db2.gz KMTJLXPTKNTYJZ-JQWIXIFHSA-N 1 0 306.366 1.782 20 5 DDBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H]1CCc2nnnn2CC1 ZINC000421402400 419600797 /nfs/dbraw/zinc/60/07/97/419600797.db2.gz VTTMDQUQGWYVTN-MASHWEEQSA-N 1 0 314.349 1.589 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@H](C)CC[NH+](C)C ZINC000299398716 229097253 /nfs/dbraw/zinc/09/72/53/229097253.db2.gz XNGLVFMHZJJNAN-LLVKDONJSA-N 1 0 324.381 1.743 20 5 DDBDRO Cn1ccnc1[C@@H](NC[C@H]1CCC[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC000423234573 419992502 /nfs/dbraw/zinc/99/25/02/419992502.db2.gz LZFSVUJJGNJKJC-HIFRSBDPSA-N 1 0 315.377 1.759 20 5 DDBDRO C[C@@H](NC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)[C@H](C)[NH3+] ZINC000418713389 419945910 /nfs/dbraw/zinc/94/59/10/419945910.db2.gz XWZGUQWVMDQKJL-NWDGAFQWSA-N 1 0 321.381 1.162 20 5 DDBDRO CC(C)c1ccc([C@@H]([NH3+])CNC(=O)c2[nH]ncc2[N+](=O)[O-])cc1 ZINC000422797485 419967427 /nfs/dbraw/zinc/96/74/27/419967427.db2.gz MVSSYNDIUSVOJJ-LBPRGKRZSA-N 1 0 317.349 1.871 20 5 DDBDRO CN1CC[NH2+]C[C@H]1CN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000423517859 420068897 /nfs/dbraw/zinc/06/88/97/420068897.db2.gz OJFZKFMBVPZIDI-HOCLYGCPSA-N 1 0 304.394 1.465 20 5 DDBDRO C[N@H+](CCCNC(=O)C1CCC1)CCn1ccc([N+](=O)[O-])n1 ZINC000429555788 420025565 /nfs/dbraw/zinc/02/55/65/420025565.db2.gz GBIOFBYZFOTNDL-UHFFFAOYSA-N 1 0 309.370 1.030 20 5 DDBDRO C[C@H]1CN(c2ccc([N+](=O)[O-])c(N)c2F)[C@@H](C)CN1CCO ZINC000418996944 420041211 /nfs/dbraw/zinc/04/12/11/420041211.db2.gz FSHWWNFVEOOGTB-UWVGGRQHSA-N 1 0 312.345 1.207 20 5 DDBDRO COC(=O)c1cc(C(=O)N2C[C@H](C[NH3+])C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000423473214 420057171 /nfs/dbraw/zinc/05/71/71/420057171.db2.gz QPKZWXRQQLZYMT-UWVGGRQHSA-N 1 0 321.333 1.191 20 5 DDBDRO C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000415510793 420094541 /nfs/dbraw/zinc/09/45/41/420094541.db2.gz ZRUWTWQBJKSRJG-JOYOIKCWSA-N 1 0 308.338 1.829 20 5 DDBDRO COC(=O)c1cc(NC(=O)N2CC[C@@H]([NH3+])C2)c(C)c([N+](=O)[O-])c1 ZINC000415600420 420122666 /nfs/dbraw/zinc/12/26/66/420122666.db2.gz ODJMSBDFFIFMDH-SNVBAGLBSA-N 1 0 322.321 1.255 20 5 DDBDRO Cc1c(NC(=O)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000415656860 420137864 /nfs/dbraw/zinc/13/78/64/420137864.db2.gz UGADEDQLZJQACU-QWRGUYRKSA-N 1 0 320.349 1.228 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@H]1C[NH3+] ZINC000430566201 420140789 /nfs/dbraw/zinc/14/07/89/420140789.db2.gz BYERNOAKBZJZIY-LBPRGKRZSA-N 1 0 322.365 1.355 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@H]1C[NH2+]CCO1 ZINC000415484380 420085571 /nfs/dbraw/zinc/08/55/71/420085571.db2.gz OCOLVKYELWBPIO-LLVKDONJSA-N 1 0 308.338 1.322 20 5 DDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[NH2+]C[C@](C)(F)C1 ZINC000420330686 420214003 /nfs/dbraw/zinc/21/40/03/420214003.db2.gz LNYSJIQWYPUKCL-ABAIWWIYSA-N 1 0 324.356 1.555 20 5 DDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[NH2+]C[C@](C)(F)C1 ZINC000420340451 420221358 /nfs/dbraw/zinc/22/13/58/420221358.db2.gz PHJKYMJDRJYQFN-ABAIWWIYSA-N 1 0 324.356 1.555 20 5 DDBDRO C[C@H]1CN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@H](C)[NH2+]1 ZINC000430955273 420221731 /nfs/dbraw/zinc/22/17/31/420221731.db2.gz LTGKQVDEEVMUGI-RYUDHWBXSA-N 1 0 318.377 1.166 20 5 DDBDRO C[C@H]1CN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC[C@@H]1[NH3+] ZINC000430960908 420223825 /nfs/dbraw/zinc/22/38/25/420223825.db2.gz AMWQVFKBKOPXOY-GWCFXTLKSA-N 1 0 317.349 1.814 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[NH2+]C[C@](C)(F)C1 ZINC000420347140 420227738 /nfs/dbraw/zinc/22/77/38/420227738.db2.gz XPDJPCSGOQFPCO-HNNXBMFYSA-N 1 0 324.356 1.475 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000420388141 420254533 /nfs/dbraw/zinc/25/45/33/420254533.db2.gz WVDLBGYPTPKVRN-WCQYABFASA-N 1 0 320.393 1.758 20 5 DDBDRO O=C(CN(C1CC1)[C@H]1CC[NH2+]C1)Nc1ccccc1[N+](=O)[O-] ZINC000435240053 420262953 /nfs/dbraw/zinc/26/29/53/420262953.db2.gz MVSBGKYXNSASNK-LBPRGKRZSA-N 1 0 304.350 1.360 20 5 DDBDRO Cc1cc(OCC(=O)N2CCC[C@@H]2C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000435616237 420266052 /nfs/dbraw/zinc/26/60/52/420266052.db2.gz KASYYUCDAYVWCG-CYBMUJFWSA-N 1 0 321.377 1.835 20 5 DDBDRO CN(C(=O)CCCNc1ccc([N+](=O)[O-])cc1)[C@@H](C[NH3+])C1CC1 ZINC000423957164 420282502 /nfs/dbraw/zinc/28/25/02/420282502.db2.gz UIWJYWVBIKHOFV-HNNXBMFYSA-N 1 0 320.393 1.983 20 5 DDBDRO Cc1cc(S(=O)(=O)N(C)C2(C[NH3+])CCC2)ccc1[N+](=O)[O-] ZINC000420436057 420286318 /nfs/dbraw/zinc/28/63/18/420286318.db2.gz AHTNSOXEKFSHKQ-UHFFFAOYSA-N 1 0 313.379 1.405 20 5 DDBDRO C[NH+](C)[C@@]1(CNc2c(C(N)=O)cccc2[N+](=O)[O-])CCSC1 ZINC000420607241 420329135 /nfs/dbraw/zinc/32/91/35/420329135.db2.gz ZUFDWIVVRIKJEE-CQSZACIVSA-N 1 0 324.406 1.543 20 5 DDBDRO Cc1cc(S(=O)(=O)N[C@H]2CC[C@@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000420447849 420294038 /nfs/dbraw/zinc/29/40/38/420294038.db2.gz KDLIEMSEVGJRLO-MNOVXSKESA-N 1 0 313.379 1.309 20 5 DDBDRO Cc1cc(S(=O)(=O)NC(C)(C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000416510968 420401909 /nfs/dbraw/zinc/40/19/09/420401909.db2.gz WGROSSJOPPTJNA-UHFFFAOYSA-N 1 0 315.395 1.522 20 5 DDBDRO Nc1c(F)c(NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)ccc1[N+](=O)[O-] ZINC000450796776 420534374 /nfs/dbraw/zinc/53/43/74/420534374.db2.gz WKGKMKWBPNQOKA-AOOOYVTPSA-N 1 0 310.329 1.591 20 5 DDBDRO Cc1cc(CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)n(C)n1 ZINC000417788194 420479343 /nfs/dbraw/zinc/47/93/43/420479343.db2.gz IGRZCAMFQXNMPB-GFCCVEGCSA-N 1 0 316.365 1.718 20 5 DDBDRO C[NH+](C)C1(CNc2cccc(C(N)=O)c2[N+](=O)[O-])CCOCC1 ZINC000439170933 420499707 /nfs/dbraw/zinc/49/97/07/420499707.db2.gz UTIDBAHXENSUAE-UHFFFAOYSA-N 1 0 322.365 1.216 20 5 DDBDRO Cc1ccc(S(=O)(=O)NCC[C@@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000440361690 420570717 /nfs/dbraw/zinc/57/07/17/420570717.db2.gz YMNKPBZRYULKFY-NSHDSACASA-N 1 0 313.379 1.181 20 5 DDBDRO Cc1c(NC(=O)CC[N@@H+]2C[C@H](C)C[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC000452068828 420620615 /nfs/dbraw/zinc/62/06/15/420620615.db2.gz PCPCWBCBKNHKGC-DGCLKSJQSA-N 1 0 321.377 1.935 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000457132383 420626096 /nfs/dbraw/zinc/62/60/96/420626096.db2.gz USURNMVGDSNVIK-GFCCVEGCSA-N 1 0 306.366 1.853 20 5 DDBDRO C[C@@H](C[NH3+])CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000441626094 420658373 /nfs/dbraw/zinc/65/83/73/420658373.db2.gz GWNDAFQAAOTDNF-ZDUSSCGKSA-N 1 0 323.396 1.866 20 5 DDBDRO CCOc1cc(CN2CC[N@H+](CCO)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000492817801 420673984 /nfs/dbraw/zinc/67/39/84/420673984.db2.gz LLNQYFOMDZVNNI-ZDUSSCGKSA-N 1 0 323.393 1.492 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000442609237 420688743 /nfs/dbraw/zinc/68/87/43/420688743.db2.gz YFPPARMIAAKQEB-NSHDSACASA-N 1 0 307.350 1.804 20 5 DDBDRO COCC(C)(C)C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000453575700 420732212 /nfs/dbraw/zinc/73/22/12/420732212.db2.gz LMXNUPPERDEKDU-UHFFFAOYSA-N 1 0 308.382 1.784 20 5 DDBDRO CNc1nc(C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000454728458 420915928 /nfs/dbraw/zinc/91/59/28/420915928.db2.gz DOEWHNFFURFHCC-LLVKDONJSA-N 1 0 321.381 1.493 20 5 DDBDRO CCC[NH2+][C@H](C)C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000449122865 420955227 /nfs/dbraw/zinc/95/52/27/420955227.db2.gz AQGQUGIRWBOITN-NEPJUHHUSA-N 1 0 321.381 1.391 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC(=O)N(C2CC2)C1 ZINC000449223017 420972202 /nfs/dbraw/zinc/97/22/02/420972202.db2.gz IYYWOMVUKNSYNM-YPMHNXCESA-N 1 0 303.362 1.879 20 5 DDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC(=O)N(C2CC2)C1 ZINC000449223014 420972650 /nfs/dbraw/zinc/97/26/50/420972650.db2.gz IYYWOMVUKNSYNM-WCQYABFASA-N 1 0 303.362 1.879 20 5 DDBDRO CNc1nc(C(=O)NC[C@@H](C2CC2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000454896558 420939640 /nfs/dbraw/zinc/93/96/40/420939640.db2.gz PALXIXVNHWLTHU-LBPRGKRZSA-N 1 0 307.354 1.102 20 5 DDBDRO Cc1nn(CCC(=O)NCCC[C@H]2CCC[NH2+]2)c(C)c1[N+](=O)[O-] ZINC000449677259 421055802 /nfs/dbraw/zinc/05/58/02/421055802.db2.gz ALUQEMVBGSIBRS-CYBMUJFWSA-N 1 0 323.397 1.447 20 5 DDBDRO CC1(C)C[NH2+]CC[C@@H]1NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000449702644 421062988 /nfs/dbraw/zinc/06/29/88/421062988.db2.gz ZNLRQBIIEYJNAP-AWEZNQCLSA-N 1 0 321.377 1.868 20 5 DDBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@H]1CCCC[N@@H+]1CCO ZINC000450612628 421217244 /nfs/dbraw/zinc/21/72/44/421217244.db2.gz KFLJYXPBXLZHQT-GFCCVEGCSA-N 1 0 311.386 1.378 20 5 DDBDRO C[C@@H](CNC(=O)c1ccnc(N)c1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000547730704 421360709 /nfs/dbraw/zinc/36/07/09/421360709.db2.gz OIIBJYJHKMYNGQ-NSHDSACASA-N 1 0 321.381 1.422 20 5 DDBDRO C[NH+](C)CC1CCC(NC(=O)c2ccnc(N)c2[N+](=O)[O-])CC1 ZINC000547731316 421361458 /nfs/dbraw/zinc/36/14/58/421361458.db2.gz APQYPCQBTKAKQW-UHFFFAOYSA-N 1 0 321.381 1.422 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C[C@H]1CCCS1 ZINC000516277337 421538494 /nfs/dbraw/zinc/53/84/94/421538494.db2.gz ZKKIUNRAZWDBIG-NWDGAFQWSA-N 1 0 312.391 1.820 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000571162312 421693014 /nfs/dbraw/zinc/69/30/14/421693014.db2.gz PYFBGFASRWGYQX-NFAWXSAZSA-N 1 0 322.361 1.445 20 5 DDBDRO CNc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000520371552 421748180 /nfs/dbraw/zinc/74/81/80/421748180.db2.gz XGPMTTOAUPVEFC-ZDUSSCGKSA-N 1 0 318.377 1.945 20 5 DDBDRO CC[C@@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@@H](O)CC ZINC000522001725 421811683 /nfs/dbraw/zinc/81/16/83/421811683.db2.gz KNKAMRPCNVNHOK-SCRDCRAPSA-N 1 0 312.366 1.474 20 5 DDBDRO COC[C@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)C(C)C ZINC000542524878 421824208 /nfs/dbraw/zinc/82/42/08/421824208.db2.gz DQOWAOZUNVUYJM-CABCVRRESA-N 1 0 321.377 1.961 20 5 DDBDRO COC1(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCCCC1 ZINC000521032361 421770480 /nfs/dbraw/zinc/77/04/80/421770480.db2.gz GRCSHPDVOIEMSQ-ZDUSSCGKSA-N 1 0 312.370 1.091 20 5 DDBDRO O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000593905971 422342152 /nfs/dbraw/zinc/34/21/52/422342152.db2.gz FBWZEHBANPJNON-YPMHNXCESA-N 1 0 315.333 1.940 20 5 DDBDRO Cc1cnc(CCNc2ccc3ncc([N+](=O)[O-])n3n2)c(C)c1 ZINC000594597621 422351493 /nfs/dbraw/zinc/35/14/93/422351493.db2.gz YBAKTUIOIRSMBK-UHFFFAOYSA-N 1 0 312.333 2.304 20 5 DDBDRO O=C1CC[C@H]([NH2+]Cc2c(F)cccc2[N+](=O)[O-])[C@H](C2CC2)N1 ZINC000342073950 271291679 /nfs/dbraw/zinc/29/16/79/271291679.db2.gz ZIFPQVWMYCNGLE-WFASDCNBSA-N 1 0 307.325 1.881 20 5 DDBDRO [NH3+][C@@H](CC(F)F)C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000345751008 272323836 /nfs/dbraw/zinc/32/38/36/272323836.db2.gz BYWMDMQENBEKSX-QMMMGPOBSA-N 1 0 302.281 1.105 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[NH+](CC3CC3)CC2)n1 ZINC000280931425 274004224 /nfs/dbraw/zinc/00/42/24/274004224.db2.gz HGCHXPKWMSUHOW-UHFFFAOYSA-N 1 0 320.349 1.308 20 5 DDBDRO Nc1nc(N2CCC[C@H]([NH+]3CCCC3)CC2)ncc1[N+](=O)[O-] ZINC000150890504 274966073 /nfs/dbraw/zinc/96/60/73/274966073.db2.gz FZCUCCRJWQULHM-NSHDSACASA-N 1 0 306.370 1.422 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000269459873 276040245 /nfs/dbraw/zinc/04/02/45/276040245.db2.gz HMPWLOGPXKTCJK-SNVBAGLBSA-N 1 0 309.370 1.608 20 5 DDBDRO CCS(=O)(=O)NCC[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000266493560 276392195 /nfs/dbraw/zinc/39/21/95/276392195.db2.gz TWGOBVCBDBGGHG-SNVBAGLBSA-N 1 0 301.368 1.185 20 5 DDBDRO C[NH2+]CCN(C)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000237333828 277270269 /nfs/dbraw/zinc/27/02/69/277270269.db2.gz JOOWJJRRDQFZMX-UHFFFAOYSA-N 1 0 305.256 1.905 20 5 DDBDRO C[C@@H](Cn1cc(Br)cc([N+](=O)[O-])c1=O)[NH+](C)C ZINC000331088151 277594241 /nfs/dbraw/zinc/59/42/41/277594241.db2.gz RQFXXXINEBZOSQ-ZETCQYMHSA-N 1 0 304.144 1.469 20 5 DDBDRO CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000186343826 279067091 /nfs/dbraw/zinc/06/70/91/279067091.db2.gz LTYJEVKYQKNHIN-GJZGRUSLSA-N 1 0 323.393 1.940 20 5 DDBDRO O=C(N[C@H]1CC[NH2+]C1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000058233155 279971412 /nfs/dbraw/zinc/97/14/12/279971412.db2.gz NDUSWAMAODQXDW-LBPRGKRZSA-N 1 0 304.350 1.287 20 5 DDBDRO CC(C)[C@H](C(=O)NCCNc1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000159052687 280171151 /nfs/dbraw/zinc/17/11/51/280171151.db2.gz LJLODJZHNLEQGV-CQSZACIVSA-N 1 0 308.382 1.709 20 5 DDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001120608882 782053165 /nfs/dbraw/zinc/05/31/65/782053165.db2.gz WVEYUTPKRIZGAK-YNEHKIRRSA-N 1 0 304.350 1.329 20 5 DDBDRO [NH3+]C1CCN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000237876248 295214229 /nfs/dbraw/zinc/21/42/29/295214229.db2.gz NYVAPUNLDMAUBN-UHFFFAOYSA-N 1 0 319.770 1.360 20 5 DDBDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000170808195 298222228 /nfs/dbraw/zinc/22/22/28/298222228.db2.gz ZWQSICPJOMLKJI-AWEZNQCLSA-N 1 0 321.377 1.744 20 5 DDBDRO Nc1ncc([N+](=O)[O-])cc1C(=O)NCCCCC[NH+]1CCCC1 ZINC000357117225 298967484 /nfs/dbraw/zinc/96/74/84/298967484.db2.gz NVULFZYADJKLOP-UHFFFAOYSA-N 1 0 321.381 1.568 20 5 DDBDRO CC(C)CN(C(=O)c1cc([N+](=O)[O-])nn1C)C1CC[NH+](C)CC1 ZINC000362251868 300038247 /nfs/dbraw/zinc/03/82/47/300038247.db2.gz VCDHDQNPPVJBEA-UHFFFAOYSA-N 1 0 323.397 1.521 20 5 DDBDRO O=C([C@@H]1C[C@@H]1[N+](=O)[O-])N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000363295549 300246631 /nfs/dbraw/zinc/24/66/31/300246631.db2.gz HVUGFFZWCLUJPT-CABCVRRESA-N 1 0 309.410 1.766 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCCOCC1 ZINC000363378561 300259886 /nfs/dbraw/zinc/25/98/86/300259886.db2.gz ABYSBKQFAZKFRV-UHFFFAOYSA-N 1 0 307.350 1.954 20 5 DDBDRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc([N+](=O)[O-])s1 ZINC000363692485 300297193 /nfs/dbraw/zinc/29/71/93/300297193.db2.gz MRNJLXFDICYABA-NXEZZACHSA-N 1 0 311.363 1.249 20 5 DDBDRO CC(C)[NH+]1CCN([C@@H]2CCN(c3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000363919942 300325722 /nfs/dbraw/zinc/32/57/22/300325722.db2.gz KUUBNFRMTPFQLC-OAHLLOKOSA-N 1 0 319.409 1.595 20 5 DDBDRO CC(C)NC(=O)CC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365840234 300591947 /nfs/dbraw/zinc/59/19/47/300591947.db2.gz UYBATNZVXQYXCJ-UHFFFAOYSA-N 1 0 309.370 1.343 20 5 DDBDRO O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000368104214 300954349 /nfs/dbraw/zinc/95/43/49/300954349.db2.gz CPHBPCHFANCPHN-GXSJLCMTSA-N 1 0 320.305 1.185 20 5 DDBDRO Cc1cc(N2CCC[N@H+](CC(C)(C)O)CC2)ncc1[N+](=O)[O-] ZINC000368720716 301080798 /nfs/dbraw/zinc/08/07/98/301080798.db2.gz AJYNZTTUCZRSGP-UHFFFAOYSA-N 1 0 308.382 1.581 20 5 DDBDRO NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000368957647 301109945 /nfs/dbraw/zinc/10/99/45/301109945.db2.gz FAFWREAWUAHILJ-UGFHNGPFSA-N 1 0 319.361 1.559 20 5 DDBDRO C[C@H](CN1CCOCC1)[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369019333 301120184 /nfs/dbraw/zinc/12/01/84/301120184.db2.gz XLGWVRMUWQDWJT-ZIAGYGMSSA-N 1 0 323.397 1.149 20 5 DDBDRO Cc1nc(C)n(C[C@H]2CCC[N@@H+]2CCn2cc([N+](=O)[O-])cn2)n1 ZINC000369996092 301254974 /nfs/dbraw/zinc/25/49/74/301254974.db2.gz LQJCOBRTKQXBAW-CYBMUJFWSA-N 1 0 319.369 1.164 20 5 DDBDRO C[NH+](C)C/C=C/C(=O)N1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375389957 301930073 /nfs/dbraw/zinc/93/00/73/301930073.db2.gz GLRLMCOGRUDGOD-FVOPLDGLSA-N 1 0 307.354 1.073 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000228155304 302045577 /nfs/dbraw/zinc/04/55/77/302045577.db2.gz UFKIHUNXBAAQRG-QWRGUYRKSA-N 1 0 313.379 1.261 20 5 DDBDRO C[C@@H]1[C@H](NC(=O)[C@H]2C[C@@H]2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000377079651 302140502 /nfs/dbraw/zinc/14/05/02/302140502.db2.gz CVGROMQSKOONJR-BEAPCOKYSA-N 1 0 303.362 1.431 20 5 DDBDRO C[NH+](C)[C@@H]1CCc2ccccc2[C@@H]1NC(=O)[C@H]1C[C@@H]1[N+](=O)[O-] ZINC000377688093 302212342 /nfs/dbraw/zinc/21/23/42/302212342.db2.gz IHMBXLLDENHMKW-XGUBFFRZSA-N 1 0 303.362 1.386 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]Cc1cccc(O)c1 ZINC000521426516 302873695 /nfs/dbraw/zinc/87/36/95/302873695.db2.gz GKGFKVOBPUGJTL-AWEZNQCLSA-N 1 0 318.329 1.830 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@@H](C)[NH+]1CCCC1 ZINC000522757123 302891573 /nfs/dbraw/zinc/89/15/73/302891573.db2.gz VGIORGWRIRCBOQ-LLVKDONJSA-N 1 0 309.370 1.090 20 5 DDBDRO COC[C@@](C)(O)C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000532221981 303279160 /nfs/dbraw/zinc/27/91/60/303279160.db2.gz KGMSIPXPFPNVAU-ZBFHGGJFSA-N 1 0 308.378 1.903 20 5 DDBDRO CNc1ccc(C(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000538714002 303390306 /nfs/dbraw/zinc/39/03/06/303390306.db2.gz GFVUDZNREXXXAJ-IAQYHMDHSA-N 1 0 318.377 1.803 20 5 DDBDRO COC[C@@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000542523934 303441036 /nfs/dbraw/zinc/44/10/36/303441036.db2.gz BYDHNXMILVWDCG-CQSZACIVSA-N 1 0 309.366 1.818 20 5 DDBDRO CCCc1n[nH]c(C(=O)N2CC[C@H]3CC[N@H+](C)[C@@H]3C2)c1[N+](=O)[O-] ZINC000362254139 307015740 /nfs/dbraw/zinc/01/57/40/307015740.db2.gz BOCBYPWNTBCYJH-ZYHUDNBSSA-N 1 0 321.381 1.437 20 5 DDBDRO Cc1c(CN2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cccc1[N+](=O)[O-] ZINC000363738554 307034840 /nfs/dbraw/zinc/03/48/40/307034840.db2.gz ZCGYVODJTJMQTE-SJORKVTESA-N 1 0 319.405 1.934 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)[C@H]1CCC[NH2+]CC1 ZINC000364639401 307049025 /nfs/dbraw/zinc/04/90/25/307049025.db2.gz BSYHZBXMRBAOKW-LBPRGKRZSA-N 1 0 309.370 1.090 20 5 DDBDRO O=C(c1ccc([N+](=O)[O-])cn1)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000364978737 307055802 /nfs/dbraw/zinc/05/58/02/307055802.db2.gz IVFQZDURTNVURQ-DGCLKSJQSA-N 1 0 304.350 1.594 20 5 DDBDRO Cc1ncccc1O[C@@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000365274993 307063302 /nfs/dbraw/zinc/06/33/02/307063302.db2.gz NMFBHCGXFVJEDS-CYBMUJFWSA-N 1 0 317.349 1.648 20 5 DDBDRO Nc1ccc(C(=O)N2CCC[C@H]3C[NH2+]CCC[C@@H]32)cc1[N+](=O)[O-] ZINC000366448156 307074239 /nfs/dbraw/zinc/07/42/39/307074239.db2.gz MDRXEPYEDUJOLY-JSGCOSHPSA-N 1 0 318.377 1.781 20 5 DDBDRO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000366576925 307076610 /nfs/dbraw/zinc/07/66/10/307076610.db2.gz RREFEXSCIQCIHM-YOGCLGLASA-N 1 0 307.354 1.052 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC2(CNC(=O)C2)CC1 ZINC000366626941 307077709 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O=C1OCCN1C[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000496535491 307349068 /nfs/dbraw/zinc/34/90/68/307349068.db2.gz RQGCYNCKCDOOLW-CYBMUJFWSA-N 1 0 305.334 1.869 20 5 DDBDRO C[C@@H]1CC[C@H](C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)O1 ZINC000530443447 307597466 /nfs/dbraw/zinc/59/74/66/307597466.db2.gz DYRKYTWFBMHKPS-TZMCWYRMSA-N 1 0 306.366 1.679 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1CCC(CCO)CC1 ZINC000542281487 307698427 /nfs/dbraw/zinc/69/84/27/307698427.db2.gz FBELECSINRXPQT-CQSZACIVSA-N 1 0 324.377 1.429 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CCc1nccs1 ZINC000564849029 308008491 /nfs/dbraw/zinc/00/84/91/308008491.db2.gz PPHOHJLOLSDTOT-NSHDSACASA-N 1 0 323.374 1.623 20 5 DDBDRO COc1ccc(CC(=O)N[C@@H]2CC[NH2+]C2(C)C)cc1[N+](=O)[O-] ZINC000566836930 308064163 /nfs/dbraw/zinc/06/41/63/308064163.db2.gz CIOIBECVHJJVOI-CYBMUJFWSA-N 1 0 307.350 1.403 20 5 DDBDRO CNc1ccc(C(=O)N(C2CC2)[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000566973697 308067469 /nfs/dbraw/zinc/06/74/69/308067469.db2.gz DOJSKVQNHBDGPK-LBPRGKRZSA-N 1 0 304.350 1.603 20 5 DDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000567914733 308099266 /nfs/dbraw/zinc/09/92/66/308099266.db2.gz KOKZKENOKPXJHI-PHIMTYICSA-N 1 0 304.350 1.249 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])c(NC[C@H](C)N2CC[NH+](C)CC2)n1 ZINC000569879535 308152567 /nfs/dbraw/zinc/15/25/67/308152567.db2.gz QPMSVIFAOARMEN-ZDUSSCGKSA-N 1 0 307.398 1.654 20 5 DDBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@H](C2CC2)[C@@H]2CNCCO2)cc1 ZINC000573675780 308248314 /nfs/dbraw/zinc/24/83/14/308248314.db2.gz FZXGMESVBOXVQR-JKSUJKDBSA-N 1 0 321.377 1.330 20 5 DDBDRO CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000573705984 308249650 /nfs/dbraw/zinc/24/96/50/308249650.db2.gz KWTPKWXLRUFQKN-LLVKDONJSA-N 1 0 322.365 1.642 20 5 DDBDRO CCc1ccc(S(=O)(=O)N2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000575922226 308282374 /nfs/dbraw/zinc/28/23/74/308282374.db2.gz NCXXKWCMXFRTNK-UHFFFAOYSA-N 1 0 313.379 1.141 20 5 DDBDRO CS(=O)(=O)c1ccc(N[C@@H]2CCC[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000382448857 325745203 /nfs/dbraw/zinc/74/52/03/325745203.db2.gz LLDIECZLTLTLMJ-VHSXEESVSA-N 1 0 313.379 1.680 20 5 DDBDRO CC[NH2+]CCCNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1CC ZINC000518340551 325790857 /nfs/dbraw/zinc/79/08/57/325790857.db2.gz DMRYLUNNBRDZIM-UHFFFAOYSA-N 1 0 322.365 1.212 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@@H]([NH3+])C[C@@H]1C ZINC000584180618 331857394 /nfs/dbraw/zinc/85/73/94/331857394.db2.gz WKLPAHMINBSXIB-NWDGAFQWSA-N 1 0 306.366 1.653 20 5 DDBDRO CC(C)([NH3+])c1nocc1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000583451110 332423571 /nfs/dbraw/zinc/42/35/71/332423571.db2.gz LIWVTKSXBLBUKE-UHFFFAOYSA-N 1 0 304.306 1.707 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2[C@H](C)CC[NH2+][C@H]2C)c1 ZINC000583199072 337266362 /nfs/dbraw/zinc/26/63/62/337266362.db2.gz XCXBVZYKWXBMFH-ISTVAULSSA-N 1 0 307.350 1.720 20 5 DDBDRO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CC[C@@H]1[NH3+] ZINC000583262369 337293839 /nfs/dbraw/zinc/29/38/39/337293839.db2.gz XXAWPFRJGOYCHO-CABZTGNLSA-N 1 0 321.333 1.175 20 5 DDBDRO CC1(F)CC([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000562999751 484328960 /nfs/dbraw/zinc/32/89/60/484328960.db2.gz DTWRTFNPCFCFFI-UHFFFAOYSA-N 1 0 316.354 1.849 20 5 DDBDRO C[C@H]1CN(CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@]1(C)CO ZINC000595875514 490372032 /nfs/dbraw/zinc/37/20/32/490372032.db2.gz QIPYMBLZMCVMNE-NHYWBVRUSA-N 1 0 307.350 1.484 20 5 DDBDRO COC(=O)c1cc(C(=O)N(C)CC(C)(C)C[NH3+])cc([N+](=O)[O-])c1 ZINC000422892322 533721562 /nfs/dbraw/zinc/72/15/62/533721562.db2.gz MSRPRXYWXJQMKI-UHFFFAOYSA-N 1 0 323.349 1.438 20 5 DDBDRO COC(=O)c1cc(C(=O)N2C[C@H](C[NH3+])C[C@H]2C)cc([N+](=O)[O-])c1 ZINC000423473217 533729413 /nfs/dbraw/zinc/72/94/13/533729413.db2.gz QPKZWXRQQLZYMT-ZJUUUORDSA-N 1 0 321.333 1.191 20 5 DDBDRO COC(=O)c1cc(C(=O)NC2(C[NH3+])CCCC2)cc([N+](=O)[O-])c1 ZINC000422816930 533731591 /nfs/dbraw/zinc/73/15/91/533731591.db2.gz GMOBAKHJHSABFF-UHFFFAOYSA-N 1 0 321.333 1.383 20 5 DDBDRO C[C@@H]1CCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000417931188 533968907 /nfs/dbraw/zinc/96/89/07/533968907.db2.gz BRJHBUQXONCRQT-DOMZBBRYSA-N 1 0 320.393 1.906 20 5 DDBDRO C[C@@H](CNC(=O)c1ccc(N)c([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC000299283531 534039062 /nfs/dbraw/zinc/03/90/62/534039062.db2.gz MYIUUGDQIJRNEP-NSHDSACASA-N 1 0 306.366 1.639 20 5 DDBDRO C[C@@H](CNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C[NH+](C)C ZINC000292653094 534075803 /nfs/dbraw/zinc/07/58/03/534075803.db2.gz OCASJACFFDMPKQ-VIFPVBQESA-N 1 0 319.358 1.210 20 5 DDBDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000417233830 534096136 /nfs/dbraw/zinc/09/61/36/534096136.db2.gz OPMUQGYAQKRUOZ-BXUZGUMPSA-N 1 0 306.366 1.435 20 5 DDBDRO C[C@H]1C[C@@H](NC(=O)CN(C)c2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000330923166 534103763 /nfs/dbraw/zinc/10/37/63/534103763.db2.gz SGBLICMNESKOFL-STQMWFEESA-N 1 0 320.393 1.630 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@@]2(CCOC2)C1 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ZINC000101955417 696609435 /nfs/dbraw/zinc/60/94/35/696609435.db2.gz QASXBBNQRLAQDU-UHFFFAOYSA-N 1 0 324.337 1.881 20 5 DDBDRO Cc1cc(C(=O)NC[C@H](C)C[NH+]2CCCC2)c(N)c([N+](=O)[O-])c1 ZINC000104855352 696621268 /nfs/dbraw/zinc/62/12/68/696621268.db2.gz QZPUUOFYRLNNEJ-LBPRGKRZSA-N 1 0 320.393 1.947 20 5 DDBDRO C[C@H](C(=O)OCCn1cc([N+](=O)[O-])cn1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000748128314 700101100 /nfs/dbraw/zinc/10/11/00/700101100.db2.gz DDXBBURXMYFOCY-GRYCIOLGSA-N 1 0 310.354 1.596 20 5 DDBDRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2ccccc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000983653395 697286732 /nfs/dbraw/zinc/28/67/32/697286732.db2.gz JBKVEAUQFBCPGF-KBUPBQIOSA-N 1 0 303.362 1.336 20 5 DDBDRO Cc1nn(CN2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c(C)c1[N+](=O)[O-] ZINC000164764615 697337245 /nfs/dbraw/zinc/33/72/45/697337245.db2.gz MZAGRNWYCZOTBP-ZIAGYGMSSA-N 1 0 307.398 1.782 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)NOC2CC[NH+](C)CC2)c1 ZINC000773541229 697775814 /nfs/dbraw/zinc/77/58/14/697775814.db2.gz MRUHEECUWTWTRZ-UHFFFAOYSA-N 1 0 309.322 1.359 20 5 DDBDRO O=C(CC[NH2+]C[C@H](O)c1ccco1)Nc1ccccc1[N+](=O)[O-] ZINC000799993610 700179576 /nfs/dbraw/zinc/17/95/76/700179576.db2.gz ITJXHJTUBDBSTF-ZDUSSCGKSA-N 1 0 319.317 1.840 20 5 DDBDRO CNC(=O)C1([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCCC1 ZINC000750096445 700203305 /nfs/dbraw/zinc/20/33/05/700203305.db2.gz OERDAPIJPZQPFE-CYBMUJFWSA-N 1 0 307.350 1.277 20 5 DDBDRO O=[N+]([O-])c1nn(C[C@@H]2CCCC[NH2+]C2)cc1Br ZINC000700307473 699221251 /nfs/dbraw/zinc/22/12/51/699221251.db2.gz XBFAPZIKZBVSHJ-MRVPVSSYSA-N 1 0 303.160 1.944 20 5 DDBDRO [NH3+]CC[C@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(F)F ZINC000700603660 699222118 /nfs/dbraw/zinc/22/21/18/699222118.db2.gz ZPTBRMODMJTVIT-QMMMGPOBSA-N 1 0 307.684 1.961 20 5 DDBDRO [NH3+]CC[C@H](NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)C(F)F ZINC000702055248 699228350 /nfs/dbraw/zinc/22/83/50/699228350.db2.gz ZRFGHPPRHNZNDA-QMMMGPOBSA-N 1 0 307.684 1.961 20 5 DDBDRO [NH3+]CC[C@H](NC(=O)c1cccc(Cl)c1[N+](=O)[O-])C(F)F ZINC000706324509 699243579 /nfs/dbraw/zinc/24/35/79/699243579.db2.gz WKCLWVWVNSUUCW-QMMMGPOBSA-N 1 0 307.684 1.961 20 5 DDBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1CC(C(N)=O)=NO1 ZINC000789562069 699396286 /nfs/dbraw/zinc/39/62/86/699396286.db2.gz UZOUHWBADHPVIY-OMPYUXFZSA-N 1 0 318.333 1.218 20 5 DDBDRO C[NH+](C)CCCCNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000733162142 699581405 /nfs/dbraw/zinc/58/14/05/699581405.db2.gz SHUYQIXYJQVNRI-UHFFFAOYSA-N 1 0 319.365 1.403 20 5 DDBDRO C[C@@]1(C(N)=O)CC[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000794703009 699825356 /nfs/dbraw/zinc/82/53/56/699825356.db2.gz HALLPESKZSNYEL-CQSZACIVSA-N 1 0 303.322 1.099 20 5 DDBDRO COC(=O)[C@H]1[C@@H]2C[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000794990520 699840809 /nfs/dbraw/zinc/84/08/09/699840809.db2.gz GCARJBNSZUSZRI-WDNDVIMCSA-N 1 0 306.318 1.324 20 5 DDBDRO CC[N@@H+]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000801857541 700347371 /nfs/dbraw/zinc/34/73/71/700347371.db2.gz FIPXPVRLJVALTE-SNVBAGLBSA-N 1 0 324.356 1.778 20 5 DDBDRO O=C(COc1cccc([N+](=O)[O-])c1)O[C@@H]1CCN(CCF)C1 ZINC000802244548 700389383 /nfs/dbraw/zinc/38/93/83/700389383.db2.gz PZLKKEKMZUIBBL-CYBMUJFWSA-N 1 0 312.297 1.561 20 5 DDBDRO C[NH+](C)CCCNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000757081933 700655878 /nfs/dbraw/zinc/65/58/78/700655878.db2.gz MVKYTMVYZDRNCZ-UHFFFAOYSA-N 1 0 314.773 1.999 20 5 DDBDRO C[C@@H]([NH2+][C@H](CCO)C1CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000763061501 700923157 /nfs/dbraw/zinc/92/31/57/700923157.db2.gz XZFYEILSKGSERS-QMTHXVAHSA-N 1 0 307.350 1.672 20 5 DDBDRO COCC[N@@H+]1CC[C@@H](Nc2cc(OC)cc(F)c2[N+](=O)[O-])C1 ZINC000771200808 701313038 /nfs/dbraw/zinc/31/30/38/701313038.db2.gz UAFKABBJIQVMAR-SNVBAGLBSA-N 1 0 313.329 1.875 20 5 DDBDRO O=C(NCCC[N@@H+]1CCc2ccccc2C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839517029 701721462 /nfs/dbraw/zinc/72/14/62/701721462.db2.gz LYZKGOGAUXKYRL-HUUCEWRRSA-N 1 0 303.362 1.216 20 5 DDBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000839568213 701739096 /nfs/dbraw/zinc/73/90/96/701739096.db2.gz OBYUGTCXURKAEV-NMFUWQPSSA-N 1 0 303.362 1.603 20 5 DDBDRO Cc1nnc([C@@H]2CC[N@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)[nH]1 ZINC000839660905 701769845 /nfs/dbraw/zinc/76/98/45/701769845.db2.gz ZLENMCAUWWDJEH-OCCSQVGLSA-N 1 0 317.349 1.544 20 5 DDBDRO CC(C)Oc1cc(C(=O)NOCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000839781289 701824955 /nfs/dbraw/zinc/82/49/55/701824955.db2.gz LQQXLKRZIJOIAM-UHFFFAOYSA-N 1 0 311.338 1.605 20 5 DDBDRO COCCN1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815575282 701898112 /nfs/dbraw/zinc/89/81/12/701898112.db2.gz NXLWMPXXORQCHQ-JSGCOSHPSA-N 1 0 322.409 1.938 20 5 DDBDRO COCCC1(NC(=O)c2ccc([N+](=O)[O-])s2)CC[NH2+]CC1 ZINC000868040626 701906810 /nfs/dbraw/zinc/90/68/10/701906810.db2.gz NUIVYPVLPYJNKG-UHFFFAOYSA-N 1 0 313.379 1.545 20 5 DDBDRO CO[C@@H]1C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@@](C)(CO)C1 ZINC000879261387 706633128 /nfs/dbraw/zinc/63/31/28/706633128.db2.gz JMGVNWZFIXPNRL-SOUVJXGZSA-N 1 0 310.350 1.100 20 5 DDBDRO CN1CC[NH+](C2CCN(c3ccc([N+](=O)[O-])cc3F)CC2)CC1 ZINC000866214366 706651581 /nfs/dbraw/zinc/65/15/81/706651581.db2.gz NSOIEXDIBQSYML-UHFFFAOYSA-N 1 0 322.384 1.950 20 5 DDBDRO C[C@H]([NH2+]CCS(=O)(=O)C1CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000840881575 702270343 /nfs/dbraw/zinc/27/03/43/702270343.db2.gz DSXXWHSRBRIFRV-VIFPVBQESA-N 1 0 313.379 1.405 20 5 DDBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCS(C)(=O)=O ZINC000866249984 706657710 /nfs/dbraw/zinc/65/77/10/706657710.db2.gz RQBXPMVYMSOLTA-VIFPVBQESA-N 1 0 304.343 1.299 20 5 DDBDRO C[C@H](C[C@H](C)[NH3+])NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000842913887 702790828 /nfs/dbraw/zinc/79/08/28/702790828.db2.gz JMDRIQQKFORBNU-JGVFFNPUSA-N 1 0 321.786 1.652 20 5 DDBDRO CC(C)C[C@H](O)C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000843071254 702813293 /nfs/dbraw/zinc/81/32/93/702813293.db2.gz UQLGFJZNNQVSRN-STQMWFEESA-N 1 0 312.366 1.331 20 5 DDBDRO CC(C)(C[NH3+])c1nc(CCNc2ccccc2[N+](=O)[O-])no1 ZINC000843185165 702836066 /nfs/dbraw/zinc/83/60/66/702836066.db2.gz NQBAHTZUCUCSKK-UHFFFAOYSA-N 1 0 305.338 1.869 20 5 DDBDRO [NH3+]CC1(NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CCCC1 ZINC000843343585 702863122 /nfs/dbraw/zinc/86/31/22/702863122.db2.gz AAJLRLIAYLVYQE-UHFFFAOYSA-N 1 0 317.349 1.332 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H](C[NH3+])CC(C)C)cc1[N+](=O)[O-] ZINC000843345008 702863453 /nfs/dbraw/zinc/86/34/53/702863453.db2.gz MDXOMXPDBWBRPB-LLVKDONJSA-N 1 0 324.337 1.915 20 5 DDBDRO C[C@H](CC[NH3+])NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000843455248 702885445 /nfs/dbraw/zinc/88/54/45/702885445.db2.gz MTCRORCCVHYZSC-LLVKDONJSA-N 1 0 306.366 1.662 20 5 DDBDRO CC[C@H]([NH3+])CNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000843482860 702890690 /nfs/dbraw/zinc/89/06/90/702890690.db2.gz CQKOHWUHPQBDFS-QMMMGPOBSA-N 1 0 303.721 1.783 20 5 DDBDRO COC(=O)CC(C)(C)[NH2+]Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000844309165 703009953 /nfs/dbraw/zinc/00/99/53/703009953.db2.gz GJTPHPBLMYUXJI-UHFFFAOYSA-N 1 0 324.333 1.813 20 5 DDBDRO C[C@@H]1[C@H](COC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC[N@@H+]1C ZINC000845813596 703205308 /nfs/dbraw/zinc/20/53/08/703205308.db2.gz FDJWZSVNXOTQFE-ZJUUUORDSA-N 1 0 322.317 1.821 20 5 DDBDRO Nc1ccc([N+](=O)[O-])c(N2CCC[C@H]([NH+]3CCOCC3)CC2)c1 ZINC000848795006 703590452 /nfs/dbraw/zinc/59/04/52/703590452.db2.gz CMKCOWIBBZLOHO-AWEZNQCLSA-N 1 0 320.393 1.868 20 5 DDBDRO C[NH+](C)CC1(NC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CCC1 ZINC000831734241 706766093 /nfs/dbraw/zinc/76/60/93/706766093.db2.gz RYDKLDUVFIWWPH-CYBMUJFWSA-N 1 0 307.350 1.229 20 5 DDBDRO C[NH2+][C@@H]1CCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC000818557190 703925142 /nfs/dbraw/zinc/92/51/42/703925142.db2.gz LJHGPWPKUHMRQH-SECBINFHSA-N 1 0 315.732 1.750 20 5 DDBDRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000818563509 703927120 /nfs/dbraw/zinc/92/71/20/703927120.db2.gz NSIPWSVXQJTLRC-WDEREUQCSA-N 1 0 306.366 1.470 20 5 DDBDRO C[NH+](C)CCn1nccc1NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000818936947 704028592 /nfs/dbraw/zinc/02/85/92/704028592.db2.gz CHTOQUOMWMTLEK-UHFFFAOYSA-N 1 0 318.337 1.187 20 5 DDBDRO CC(C)N1C[C@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1=O ZINC000818996458 704047412 /nfs/dbraw/zinc/04/74/12/704047412.db2.gz QWKMTIONNIDEKF-TZMCWYRMSA-N 1 0 307.350 1.227 20 5 DDBDRO Cn1cc(CCC[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000819003708 704049470 /nfs/dbraw/zinc/04/94/70/704049470.db2.gz GQSDHILRZFFSCT-HNNXBMFYSA-N 1 0 304.350 1.584 20 5 DDBDRO CC(=O)N1CCC(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000819019012 704052739 /nfs/dbraw/zinc/05/27/39/704052739.db2.gz FCACHVIJLPPVLG-INIZCTEOSA-N 1 0 321.377 1.476 20 5 DDBDRO O=C1CC[C@@H]2C[N@H+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)CC[C@@H]2N1 ZINC000852495721 704062164 /nfs/dbraw/zinc/06/21/64/704062164.db2.gz MTMYJOHZMGXXQE-VHDGCEQUSA-N 1 0 319.361 1.229 20 5 DDBDRO C[C@@H](C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)CN1CCOCC1 ZINC000819089590 704068471 /nfs/dbraw/zinc/06/84/71/704068471.db2.gz LVKDNZMCTDUMQG-BBRMVZONSA-N 1 0 323.393 1.186 20 5 DDBDRO CC(C)(C)OC(=O)CC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819098508 704069805 /nfs/dbraw/zinc/06/98/05/704069805.db2.gz YZLSAKPEDCCMAO-ZDUSSCGKSA-N 1 0 310.350 1.950 20 5 DDBDRO CCC[C@H](C)C(=O)NCC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819330494 704108772 /nfs/dbraw/zinc/10/87/72/704108772.db2.gz SSJCRPZEVBZZPW-WFASDCNBSA-N 1 0 323.393 1.770 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CC2(CF)CCOCC2)c1 ZINC000819348633 704111322 /nfs/dbraw/zinc/11/13/22/704111322.db2.gz PWJLEOYABUPTGW-AWEZNQCLSA-N 1 0 312.341 1.984 20 5 DDBDRO NC(=O)[C@H]1CC[C@H](C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000819376088 704116518 /nfs/dbraw/zinc/11/65/18/704116518.db2.gz WJYURMMZKFYTBW-WHOFXGATSA-N 1 0 321.377 1.510 20 5 DDBDRO C[N@@H+]1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CCC1(C)C ZINC000871149380 704230559 /nfs/dbraw/zinc/23/05/59/704230559.db2.gz FHJTUMFTDHHJTA-UHFFFAOYSA-N 1 0 306.366 1.733 20 5 DDBDRO CN(CC1C[NH+](C)C1)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000853552957 704266724 /nfs/dbraw/zinc/26/67/24/704266724.db2.gz IXTSOXWMMVNUOD-UHFFFAOYSA-N 1 0 316.365 1.304 20 5 DDBDRO Cc1nn(C[N@@H+]2CC[C@@H]3COC[C@@H]3C2)c2ncc([N+](=O)[O-])cc12 ZINC000853587163 704276762 /nfs/dbraw/zinc/27/67/62/704276762.db2.gz FZHUKHOJHPWXHH-NEPJUHHUSA-N 1 0 317.349 1.574 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(N2CCC[C@@H](N3CCOCC3)C2)n1 ZINC000853652755 704293361 /nfs/dbraw/zinc/29/33/61/704293361.db2.gz VLUBYTZXBDVMSQ-CYBMUJFWSA-N 1 0 306.366 1.599 20 5 DDBDRO C[NH+](C)CCONC(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC000820997619 704356970 /nfs/dbraw/zinc/35/69/70/704356970.db2.gz YBSQBTCGZRLLNV-UHFFFAOYSA-N 1 0 315.757 1.790 20 5 DDBDRO C[NH+](C)CC1CN(C(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000821009932 704358811 /nfs/dbraw/zinc/35/88/11/704358811.db2.gz HLEZDZSBHNBKBV-CABCVRRESA-N 1 0 303.362 1.718 20 5 DDBDRO CCN(C(=O)c1cc([N+](=O)[O-])c(F)cc1N)[C@H]1CC[N@H+](C)C1 ZINC000855360483 704480772 /nfs/dbraw/zinc/48/07/72/704480772.db2.gz LYIQVGCUCRLZCY-VIFPVBQESA-N 1 0 310.329 1.482 20 5 DDBDRO CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C[C@H](C)[NH2+]1 ZINC000856409288 704527431 /nfs/dbraw/zinc/52/74/31/704527431.db2.gz LKGPHDBFHDINDD-GXSJLCMTSA-N 1 0 322.321 1.716 20 5 DDBDRO C[C@H]([NH3+])CCNC(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857764039 704621640 /nfs/dbraw/zinc/62/16/40/704621640.db2.gz FKHZWWNBJPZPQT-QMMMGPOBSA-N 1 0 303.265 1.420 20 5 DDBDRO C[C@H](C[NH3+])N(C)C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857765413 704622281 /nfs/dbraw/zinc/62/22/81/704622281.db2.gz QKPSGCPQPIVHCZ-MRVPVSSYSA-N 1 0 303.265 1.372 20 5 DDBDRO O=[N+]([O-])c1ccccc1N1CCN(c2cc[nH+]c(CO)c2)CC1 ZINC000858313686 704693314 /nfs/dbraw/zinc/69/33/14/704693314.db2.gz PMHYOTCKTRSKJV-UHFFFAOYSA-N 1 0 314.345 1.809 20 5 DDBDRO O=C(NC[C@@H]1COCC[NH2+]1)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000859646980 704961854 /nfs/dbraw/zinc/96/18/54/704961854.db2.gz YSPCYILYUQGKEX-SECBINFHSA-N 1 0 314.729 1.358 20 5 DDBDRO Cc1cc(C(=O)NC[C@@]2(C)CCC[NH2+]C2)c(N)c([N+](=O)[O-])c1 ZINC000834474677 707062434 /nfs/dbraw/zinc/06/24/34/707062434.db2.gz DCNBTWQTICKYCF-HNNXBMFYSA-N 1 0 306.366 1.605 20 5 DDBDRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000874834284 705191545 /nfs/dbraw/zinc/19/15/45/705191545.db2.gz QUSLQUKNTWVUOJ-MNOVXSKESA-N 1 0 306.322 1.004 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000823381422 705226762 /nfs/dbraw/zinc/22/67/62/705226762.db2.gz RVGOCEYSICSACM-JYAVWHMHSA-N 1 0 303.362 1.844 20 5 DDBDRO CC[NH+]1CCC(NC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000824008850 705354482 /nfs/dbraw/zinc/35/44/82/705354482.db2.gz XETNKADEQJJQKO-UHFFFAOYSA-N 1 0 307.354 1.783 20 5 DDBDRO CCN(C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000861890236 705595929 /nfs/dbraw/zinc/59/59/29/705595929.db2.gz DZSZJLVMXPWBIF-OAHLLOKOSA-N 1 0 321.377 1.571 20 5 DDBDRO CN(CC[NH+]1CCCC1)C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825694368 705716300 /nfs/dbraw/zinc/71/63/00/705716300.db2.gz XDOPCMURMSVGLE-CQSZACIVSA-N 1 0 307.350 1.182 20 5 DDBDRO CN(CCCC[NH+](C)C)C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000826096067 705772244 /nfs/dbraw/zinc/77/22/44/705772244.db2.gz XFAFKJDHYZJRCJ-AWEZNQCLSA-N 1 0 309.366 1.428 20 5 DDBDRO CC(C)(NC(=O)[C@@H](F)[C@@H]1CC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000876696241 705823970 /nfs/dbraw/zinc/82/39/70/705823970.db2.gz RAVWBIVPARGOKB-MFKMUULPSA-N 1 0 309.341 1.894 20 5 DDBDRO C[C@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)[C@H](C)N1CCOCC1 ZINC000877025445 705963546 /nfs/dbraw/zinc/96/35/46/705963546.db2.gz KWLMATZWQIWLMB-FEPKRQSRSA-N 1 0 323.397 1.194 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000827269759 705965010 /nfs/dbraw/zinc/96/50/10/705965010.db2.gz ZUSKEJGTJNQOAH-SMDDNHRTSA-N 1 0 319.361 1.770 20 5 DDBDRO C[C@@H]([NH3+])CN(C)C(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000877099318 705983139 /nfs/dbraw/zinc/98/31/39/705983139.db2.gz KENVHAPGGLFJFT-BDAKNGLRSA-N 1 0 315.757 1.821 20 5 DDBDRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000877109144 705986363 /nfs/dbraw/zinc/98/63/63/705986363.db2.gz AKDLIPPTSWISMZ-WRWORJQWSA-N 1 0 315.732 1.796 20 5 DDBDRO COc1ccc(C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)cc1[N+](=O)[O-] ZINC000877378754 706086787 /nfs/dbraw/zinc/08/67/87/706086787.db2.gz XXEBCAOLDCVCBQ-XHDPSFHLSA-N 1 0 305.334 1.285 20 5 DDBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000877394765 706094082 /nfs/dbraw/zinc/09/40/82/706094082.db2.gz GGXGLZVAZIYASY-HOCLYGCPSA-N 1 0 319.361 1.765 20 5 DDBDRO CO[C@H]1COCC[C@H]1C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877564215 706143944 /nfs/dbraw/zinc/14/39/44/706143944.db2.gz VPBNGBHOSIQEBM-BBCYWQGDSA-N 1 0 310.354 1.136 20 5 DDBDRO C[C@@H]1CN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)[C@@H](C)CN1C ZINC000828249364 706146388 /nfs/dbraw/zinc/14/63/88/706146388.db2.gz ZZZUWWDCXBVOAY-UHIISALHSA-N 1 0 307.350 1.179 20 5 DDBDRO C[C@@H](C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)CC1(C)OCCO1 ZINC000877670447 706175784 /nfs/dbraw/zinc/17/57/84/706175784.db2.gz QLJYRQJTACUBLO-PNESKVBLSA-N 1 0 324.381 1.874 20 5 DDBDRO COC(=O)[C@@H]1OCC[C@@H]1C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000877726806 706191540 /nfs/dbraw/zinc/19/15/40/706191540.db2.gz IBGULIPRLCMQNE-ZZEYUXRUSA-N 1 0 320.345 1.776 20 5 DDBDRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000864615296 706214085 /nfs/dbraw/zinc/21/40/85/706214085.db2.gz BIUKSEIGQGIWRO-RKDXNWHRSA-N 1 0 315.276 1.515 20 5 DDBDRO Cc1ccc(CN2CCC[C@@](O)(C[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000878866740 706519810 /nfs/dbraw/zinc/51/98/10/706519810.db2.gz WGIIZJFBHWHGFB-MRXNPFEDSA-N 1 0 307.394 1.792 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC2(CC1)COCCO2 ZINC000880546933 707012732 /nfs/dbraw/zinc/01/27/32/707012732.db2.gz WUAQVKBQUHYXCF-UHFFFAOYSA-N 1 0 322.361 1.985 20 5 DDBDRO [NH3+]CC[C@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(F)F ZINC000834825235 707131387 /nfs/dbraw/zinc/13/13/87/707131387.db2.gz AUGJUMCDWZSEOQ-VIFPVBQESA-N 1 0 318.236 1.215 20 5 DDBDRO CC(C)(O)C[C@@H](O)C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000871966822 707258303 /nfs/dbraw/zinc/25/83/03/707258303.db2.gz YEUQXUIREUVYKL-OAHLLOKOSA-N 1 0 323.393 1.239 20 5 DDBDRO C[C@@H]([NH2+][C@H]1CCc2nnn(C)c2C1)c1ccc([N+](=O)[O-])cc1 ZINC000927143502 712946810 /nfs/dbraw/zinc/94/68/10/712946810.db2.gz AFUALGVBOWCQLE-PWSUYJOCSA-N 1 0 301.350 1.931 20 5 DDBDRO CC1(C)CC[NH2+]CCN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000872291113 707367675 /nfs/dbraw/zinc/36/76/75/707367675.db2.gz FIMGUEHBWBBJFV-UHFFFAOYSA-N 1 0 307.350 1.574 20 5 DDBDRO O=[N+]([O-])c1ccc(N2C[C@@H]3CCC[N@H+]3C[C@@H]2CO)c(Cl)c1 ZINC000872757710 707587138 /nfs/dbraw/zinc/58/71/38/707587138.db2.gz GFBWMBQUWJNOAW-NWDGAFQWSA-N 1 0 311.769 1.894 20 5 DDBDRO CC(C)(C[NH+]1CCCC1)NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000837175199 707592363 /nfs/dbraw/zinc/59/23/63/707592363.db2.gz ZZFSHUREMZHPHD-CQSZACIVSA-N 1 0 321.377 1.619 20 5 DDBDRO CNC(=O)c1ccc(N2CC[C@@H]3[C@H]2CCC[N@@H+]3C)c([N+](=O)[O-])c1 ZINC000872781604 707597617 /nfs/dbraw/zinc/59/76/17/707597617.db2.gz VZKYNHHMICEPEL-CHWSQXEVSA-N 1 0 318.377 1.627 20 5 DDBDRO CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000882490316 707661679 /nfs/dbraw/zinc/66/16/79/707661679.db2.gz MQSYWVSMDNSSRF-NSHDSACASA-N 1 0 314.345 1.967 20 5 DDBDRO C[N@@H+]1C[C@@H]2CN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)C[C@]2(C)C1 ZINC000896913202 708181135 /nfs/dbraw/zinc/18/11/35/708181135.db2.gz OETNMDPWRYOBNO-BMIGLBTASA-N 1 0 301.350 1.859 20 5 DDBDRO CC(C)C[NH2+]C1(CO)CCN(Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886229802 708720188 /nfs/dbraw/zinc/72/01/88/708720188.db2.gz WFKJFKBIVYRUNM-UHFFFAOYSA-N 1 0 322.409 1.562 20 5 DDBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000886577974 708780271 /nfs/dbraw/zinc/78/02/71/708780271.db2.gz DXYADTZBPRABOV-AZHAFVHUSA-N 1 0 319.361 1.625 20 5 DDBDRO C[C@@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)c1c([N+](=O)[O-])cnn1C ZINC000912650105 713060615 /nfs/dbraw/zinc/06/06/15/713060615.db2.gz HYKLMPWQUNMTQT-VXGBXAGGSA-N 1 0 323.397 1.663 20 5 DDBDRO [NH3+][C@@H]1CCO[C@@H](C2CCN(Cc3cccnc3[N+](=O)[O-])CC2)C1 ZINC000886839509 708858652 /nfs/dbraw/zinc/85/86/52/708858652.db2.gz GGXUSUGGHICDIE-HUUCEWRRSA-N 1 0 320.393 1.708 20 5 DDBDRO C[C@H](CNC(=O)C12CC[NH+](CC1)C2)c1ccccc1[N+](=O)[O-] ZINC000887399387 709036612 /nfs/dbraw/zinc/03/66/12/709036612.db2.gz UIGZDDYTXIDVFE-GFCCVEGCSA-N 1 0 303.362 1.910 20 5 DDBDRO CC(C)(C(=O)N1CCC([NH+]2CCC2)CC1)n1cc([N+](=O)[O-])cn1 ZINC000912879768 713113197 /nfs/dbraw/zinc/11/31/97/713113197.db2.gz LSPGXXWHYFUSLK-UHFFFAOYSA-N 1 0 321.381 1.223 20 5 DDBDRO Cc1nn(C)c(C(=O)N2CCC([NH2+]C3CCC3)CC2)c1[N+](=O)[O-] ZINC000889835140 709652392 /nfs/dbraw/zinc/65/23/92/709652392.db2.gz ILXOJHXNWGUSFD-UHFFFAOYSA-N 1 0 321.381 1.383 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912910762 713121528 /nfs/dbraw/zinc/12/15/28/713121528.db2.gz RLVAYQYSSRRQDC-GFCCVEGCSA-N 1 0 305.334 1.524 20 5 DDBDRO CC[N@@H+]1CCCN(C(=O)COc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000910288546 709869111 /nfs/dbraw/zinc/86/91/11/709869111.db2.gz WUEOVJAKWNMZIH-CYBMUJFWSA-N 1 0 321.377 1.916 20 5 DDBDRO CN(CC(C)(C)C[NH+](C)C)C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000890879954 710018853 /nfs/dbraw/zinc/01/88/53/710018853.db2.gz LJAFVCJWDZWKCL-CQSZACIVSA-N 1 0 323.393 1.674 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)COC1CC[NH+](C)CC1 ZINC000901517171 710063852 /nfs/dbraw/zinc/06/38/52/710063852.db2.gz NWUCZJMQRKHJGG-UHFFFAOYSA-N 1 0 323.349 1.653 20 5 DDBDRO Cc1ccc(CNC(=O)N[C@H]2CC[NH2+][C@H](C)C2)cc1[N+](=O)[O-] ZINC000892096666 710371369 /nfs/dbraw/zinc/37/13/69/710371369.db2.gz JMZWLNXHHSYGLV-YPMHNXCESA-N 1 0 306.366 1.843 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@H]2CC[N@H+](C)[C@H]2C)c1 ZINC000928459941 713206210 /nfs/dbraw/zinc/20/62/10/713206210.db2.gz YJMPGQZVGIOOKA-STQMWFEESA-N 1 0 321.377 1.881 20 5 DDBDRO C[C@H]([NH2+]CCN1CCCOCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000903225783 711072121 /nfs/dbraw/zinc/07/21/21/711072121.db2.gz BAWYQSHEOADCRV-LBPRGKRZSA-N 1 0 308.382 1.550 20 5 DDBDRO C[N@@H+]1CC[C@H]1CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000928559605 713226642 /nfs/dbraw/zinc/22/66/42/713226642.db2.gz ZYDDPLYNRUCVLR-LBPRGKRZSA-N 1 0 302.334 1.439 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCCc1nnnn1C ZINC000903348901 711100049 /nfs/dbraw/zinc/10/00/49/711100049.db2.gz NXTRYIMQFNWZKO-NSHDSACASA-N 1 0 304.354 1.710 20 5 DDBDRO Cc1c(CNC(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000894395713 711101952 /nfs/dbraw/zinc/10/19/52/711101952.db2.gz HWUFSQNSRMBVCR-OKILXGFUSA-N 1 0 318.377 1.606 20 5 DDBDRO [NH3+][C@@H]1CN(CCn2ccc([N+](=O)[O-])n2)CC[C@H]1C(F)(F)F ZINC000903540641 711179598 /nfs/dbraw/zinc/17/95/98/711179598.db2.gz XUVCHDMPOACHLC-RKDXNWHRSA-N 1 0 307.276 1.003 20 5 DDBDRO COc1ccc(OCCN2CC[C@@H]3CC[C@@]32C[NH3+])c([N+](=O)[O-])c1 ZINC000903855081 711303966 /nfs/dbraw/zinc/30/39/66/711303966.db2.gz LGTDNVWTMXXQGX-BLLLJJGKSA-N 1 0 321.377 1.795 20 5 DDBDRO CON(C)C(=O)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000895041070 711380716 /nfs/dbraw/zinc/38/07/16/711380716.db2.gz QQVPDLCJWBRCPC-UHFFFAOYSA-N 1 0 322.365 1.173 20 5 DDBDRO CCC[C@@H]1CN(c2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])CC[NH2+]1 ZINC000895058774 711391605 /nfs/dbraw/zinc/39/16/05/711391605.db2.gz OHTYMQSVMPFXHF-LLVKDONJSA-N 1 0 322.365 1.663 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(NC[C@H]2CC[N@@H+]2C2CCOCC2)n1 ZINC000896524202 711738254 /nfs/dbraw/zinc/73/82/54/711738254.db2.gz WDBLAOPBOQATSP-CYBMUJFWSA-N 1 0 306.366 1.963 20 5 DDBDRO O=[N+]([O-])c1cnc(NC[C@@H]2CC[N@@H+]2C2CCOCC2)c(F)c1 ZINC000896525751 711738625 /nfs/dbraw/zinc/73/86/25/711738625.db2.gz OITVKBQLKOXQKD-NSHDSACASA-N 1 0 310.329 1.794 20 5 DDBDRO Cc1cc(C(=O)N2CCC(O)(C[NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000913682901 713280497 /nfs/dbraw/zinc/28/04/97/713280497.db2.gz BUABPQIEVUIITK-UHFFFAOYSA-N 1 0 321.377 1.432 20 5 DDBDRO CO[C@@]1(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCSC1 ZINC000905547251 712073312 /nfs/dbraw/zinc/07/33/12/712073312.db2.gz VFVQIVVTFPJFJA-UONOGXRCSA-N 1 0 312.391 1.740 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@@H]2C=C[C@H]3C[C@@H]2CO3)c1 ZINC000905572421 712082573 /nfs/dbraw/zinc/08/25/73/712082573.db2.gz QVDYZWHOVHDDTJ-LQKXBSAESA-N 1 0 304.346 1.809 20 5 DDBDRO C[C@@H](C[NH2+]C[C@@H](C)S(C)(=O)=O)c1ccccc1[N+](=O)[O-] ZINC000905645454 712105468 /nfs/dbraw/zinc/10/54/68/712105468.db2.gz YLTNVURCMPBYSS-WDEREUQCSA-N 1 0 300.380 1.721 20 5 DDBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CCN(C)C1 ZINC000906525843 712346877 /nfs/dbraw/zinc/34/68/77/712346877.db2.gz QBSISWZDSPWNJB-DGCLKSJQSA-N 1 0 306.366 1.606 20 5 DDBDRO C[C@@H]([NH2+]C(C)(C)CO)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000916572465 713458679 /nfs/dbraw/zinc/45/86/79/713458679.db2.gz JECNCXBHIIVXFL-MRVPVSSYSA-N 1 0 315.757 1.936 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000930329957 713805462 /nfs/dbraw/zinc/80/54/62/713805462.db2.gz ORSVRGATLBOXID-NSHDSACASA-N 1 0 309.370 1.090 20 5 DDBDRO C[C@@H]1Cc2cc(C[NH2+]CCn3cc([N+](=O)[O-])cn3)ccc2O1 ZINC000921862939 713889545 /nfs/dbraw/zinc/88/95/45/713889545.db2.gz ROLMMKLZRNCJNY-LLVKDONJSA-N 1 0 302.334 1.905 20 5 DDBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000931046140 713990079 /nfs/dbraw/zinc/99/00/79/713990079.db2.gz HNMRHUFNWZRJOR-IAQYHMDHSA-N 1 0 321.377 1.986 20 5 DDBDRO C[C@](CO)([NH2+]C[C@@H]1C[C@H]2COC[C@@H]2O1)c1cccc([N+](=O)[O-])c1 ZINC000931471468 714105614 /nfs/dbraw/zinc/10/56/14/714105614.db2.gz RMQKSAPTBHZMMB-VCOSZWKGSA-N 1 0 322.361 1.196 20 5 DDBDRO COC1(OC)CC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C[C@H]1O ZINC000931640970 714146818 /nfs/dbraw/zinc/14/68/18/714146818.db2.gz UBUBFYYPTRPYKJ-CQSZACIVSA-N 1 0 310.350 1.459 20 5 DDBDRO CCOc1cc(C[NH2+][C@H]2C(=O)NCC2(C)C)ccc1[N+](=O)[O-] ZINC000931655232 714150724 /nfs/dbraw/zinc/15/07/24/714150724.db2.gz ORFINLDGLRKPNY-ZDUSSCGKSA-N 1 0 307.350 1.608 20 5 DDBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC[C@H](C2OCCO2)C1 ZINC000932007806 714232752 /nfs/dbraw/zinc/23/27/52/714232752.db2.gz KDPLKWUHWJBEPQ-LBPRGKRZSA-N 1 0 308.334 1.668 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000923299361 714302231 /nfs/dbraw/zinc/30/22/31/714302231.db2.gz UDJLGXKWUPVSDP-WDEREUQCSA-N 1 0 322.340 1.625 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)CN(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000923328766 714316073 /nfs/dbraw/zinc/31/60/73/714316073.db2.gz CTUGFSJHHURMDF-KGLIPLIRSA-N 1 0 321.377 1.161 20 5 DDBDRO COC(C)(C)[C@H](C)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000932366250 714318318 /nfs/dbraw/zinc/31/83/18/714318318.db2.gz AURXGQONTQWXTO-AAEUAGOBSA-N 1 0 312.366 1.738 20 5 DDBDRO C[C@@H]1COC[C@H]1[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000932494759 714346600 /nfs/dbraw/zinc/34/66/00/714346600.db2.gz QUUGWLWEMKGCHE-ZWNOBZJWSA-N 1 0 305.334 1.108 20 5 DDBDRO [NH3+]CCCN(C[C@H](O)c1cccc([N+](=O)[O-])c1)CC(F)(F)F ZINC000923421233 714350500 /nfs/dbraw/zinc/35/05/00/714350500.db2.gz MGPBUCVYECAAHZ-LBPRGKRZSA-N 1 0 321.299 1.841 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CC[C@@H]3CC[NH2+][C@@H]3C2)c1 ZINC000923459123 714362547 /nfs/dbraw/zinc/36/25/47/714362547.db2.gz ZZDSOBJJSNTOKM-DUVNUKRYSA-N 1 0 321.377 1.018 20 5 DDBDRO O=C1NCC2(CCOCC2)[C@H]1[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000925155661 714761403 /nfs/dbraw/zinc/76/14/03/714761403.db2.gz XDOZZGOSIUZEMS-AWEZNQCLSA-N 1 0 319.361 1.022 20 5 DDBDRO O=[N+]([O-])c1cccc(F)c1CN1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000934258282 714777752 /nfs/dbraw/zinc/77/77/52/714777752.db2.gz CMKGNSJLIGXJAX-CVEARBPZSA-N 1 0 323.368 1.765 20 5 DDBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1)c1ccn[nH]1 ZINC001021855580 733620069 /nfs/dbraw/zinc/62/00/69/733620069.db2.gz ZQFWBWAWGHPYHC-AOOOYVTPSA-N 1 0 321.362 1.430 20 5 DDBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)c1cocn1 ZINC001021893439 733646757 /nfs/dbraw/zinc/64/67/57/733646757.db2.gz BAQVRGFTFTVRLT-TXEJJXNPSA-N 1 0 316.317 1.633 20 5 DDBDRO Cc1nc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c(C)s1 ZINC001022063877 734368222 /nfs/dbraw/zinc/36/82/22/734368222.db2.gz NOQNJUGZKMDIQQ-LSCVPOLPSA-N 1 0 324.406 1.162 20 5 DDBDRO C[C@@H](c1nnc(N2CC[NH+](C3CCCCC3)CC2)n1C)[N+](=O)[O-] ZINC001121296874 782446962 /nfs/dbraw/zinc/44/69/62/782446962.db2.gz LXRSHNIMCDIWIP-LBPRGKRZSA-N 1 0 322.413 1.608 20 5 DDBDRO [NH3+]Cc1nn(-c2cc([N+](=O)[O-])c3nncn3c2)c2ccccc12 ZINC001167698409 736292593 /nfs/dbraw/zinc/29/25/93/736292593.db2.gz VQYJQBOAYMUTNW-UHFFFAOYSA-N 1 0 309.289 1.435 20 5 DDBDRO O=C(NC1CC[NH+](CC2=CCCCC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001002782104 743423648 /nfs/dbraw/zinc/42/36/48/743423648.db2.gz HJHOKSJKKSQXLB-HUUCEWRRSA-N 1 0 307.394 1.733 20 5 DDBDRO Cc1nn(C)c(N2CC[NH2+][C@H](c3ccccc3)C2)c1[N+](=O)[O-] ZINC001187686567 744591074 /nfs/dbraw/zinc/59/10/74/744591074.db2.gz QJCNOALZXCWAHJ-ZDUSSCGKSA-N 1 0 301.350 1.788 20 5 DDBDRO CC(C)[C@@H]1C[C@@H]([NH+]2CCCC2)CN1c1ncc([N+](=O)[O-])c(N)n1 ZINC001187870375 744629743 /nfs/dbraw/zinc/62/97/43/744629743.db2.gz AOHDTDGMGCSVGW-NEPJUHHUSA-N 1 0 320.397 1.666 20 5 DDBDRO Cc1nc2c(c(=O)[nH]1)CN(CCOc1ccccc1[N+](=O)[O-])C2 ZINC001196630946 746918652 /nfs/dbraw/zinc/91/86/52/746918652.db2.gz BLKMPWUKADPEAB-UHFFFAOYSA-N 1 0 316.317 1.793 20 5 DDBDRO CN(CCCNC(=O)C[NH+]1CCCC1)c1ccccc1[N+](=O)[O-] ZINC001095560552 750039793 /nfs/dbraw/zinc/03/97/93/750039793.db2.gz NAERFQICLMJGLC-UHFFFAOYSA-N 1 0 320.393 1.633 20 5 DDBDRO O=C(N[C@H]1CC[C@H]([NH2+]Cc2cncs2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001034644062 750626129 /nfs/dbraw/zinc/62/61/29/750626129.db2.gz BGIIRCSOFFGYNC-FPQZTECRSA-N 1 0 324.406 1.325 20 5 DDBDRO O=C(NCC[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccc(F)cc1 ZINC001168978423 762147350 /nfs/dbraw/zinc/14/73/50/762147350.db2.gz SAYWCWJNCHOYMY-RISCZKNCSA-N 1 0 309.341 1.591 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C[C@@H](O)COCc2ccccc2)C1 ZINC001168966622 762158618 /nfs/dbraw/zinc/15/86/18/762158618.db2.gz KBPFBDNEWDNEIK-OWCLPIDISA-N 1 0 308.378 1.599 20 5 DDBDRO O=C(C1CCC1)N1CCC([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168996559 762168639 /nfs/dbraw/zinc/16/86/39/762168639.db2.gz WAFSIWGBVMGHIX-SWLSCSKDSA-N 1 0 309.410 1.813 20 5 DDBDRO NC(=O)c1ccc(OCC[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)cc1 ZINC001168988142 762180337 /nfs/dbraw/zinc/18/03/37/762180337.db2.gz OIKRBFYEXSNUIM-AAEUAGOBSA-N 1 0 307.350 1.199 20 5 DDBDRO COc1ccnc(N2CC[NH+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)n1 ZINC001169040014 762194694 /nfs/dbraw/zinc/19/46/94/762194694.db2.gz WXZMLUJYUAPJGT-CHWSQXEVSA-N 1 0 321.381 1.053 20 5 DDBDRO CN(C)C1=NOC2(C1)CC[NH+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169023709 762201298 /nfs/dbraw/zinc/20/12/98/762201298.db2.gz PUTAORSXNHZTNF-OLZOCXBDSA-N 1 0 310.398 1.562 20 5 DDBDRO CCOC(=O)C1(F)CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169026394 762203265 /nfs/dbraw/zinc/20/32/65/762203265.db2.gz LOXNQPPFMYWWNG-VXGBXAGGSA-N 1 0 302.346 1.799 20 5 DDBDRO CCOC[C@H]1Cn2nccc2C[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169025784 762203482 /nfs/dbraw/zinc/20/34/82/762203482.db2.gz UWQQZUWGWUMIDE-ZNMIVQPWSA-N 1 0 322.409 1.797 20 5 DDBDRO CCOC(=O)c1cc(-n2ccc([C@@H](C)[NH3+])n2)ccc1[N+](=O)[O-] ZINC001169234651 762294241 /nfs/dbraw/zinc/29/42/41/762294241.db2.gz JIOKTGATFDYQKJ-SECBINFHSA-N 1 0 304.306 1.977 20 5 DDBDRO CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC001097190241 756977592 /nfs/dbraw/zinc/97/75/92/756977592.db2.gz NAHWEXPHIFLHOD-TXEJJXNPSA-N 1 0 321.381 1.389 20 5 DDBDRO Cc1cc([N+](=O)[O-])cnc1N[C@H]1C[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001097251434 757033512 /nfs/dbraw/zinc/03/35/12/757033512.db2.gz BTUJXSJBNSHANE-TXEJJXNPSA-N 1 0 321.381 1.309 20 5 DDBDRO COc1ccc(C[C@@H](C)[NH2+][C@@H]2CCCNC2=O)c([N+](=O)[O-])c1 ZINC001170297817 766227606 /nfs/dbraw/zinc/22/76/06/766227606.db2.gz SPDHZKOZIGNIKE-ZWNOBZJWSA-N 1 0 307.350 1.403 20 5 DDBDRO Cc1ccc2c(ccnc2N[C@H]2C[NH2+]C[C@H]2CO)c1[N+](=O)[O-] ZINC001170776996 771206357 /nfs/dbraw/zinc/20/63/57/771206357.db2.gz QHEYDEXLXFNXBJ-GWCFXTLKSA-N 1 0 302.334 1.444 20 5 DDBDRO O=[N+]([O-])c1cccc(-c2ccc(N[C@H]3C[NH2+]C[C@H]3CO)nn2)c1 ZINC001170776543 771209212 /nfs/dbraw/zinc/20/92/12/771209212.db2.gz GNDWQXFLDWBRRL-FZMZJTMJSA-N 1 0 315.333 1.044 20 5 DDBDRO O=C(Cc1cscn1)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001134856803 771209673 /nfs/dbraw/zinc/20/96/73/771209673.db2.gz QMEJXDVJLROFNA-UHFFFAOYSA-N 1 0 320.374 1.500 20 5 DDBDRO CC[C@@]([NH3+])(CO)Nc1cc(C)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001170857492 771754717 /nfs/dbraw/zinc/75/47/17/771754717.db2.gz JMSGASBGFHXYIB-HNNXBMFYSA-N 1 0 317.349 1.829 20 5 DDBDRO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1cc(F)cc(F)c1[N+](=O)[O-] ZINC001170871666 771792424 /nfs/dbraw/zinc/79/24/24/771792424.db2.gz IGZDUFCFKCLGQZ-LDYMZIIASA-N 1 0 315.276 1.436 20 5 DDBDRO C[NH+](C)C[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001136604946 772036426 /nfs/dbraw/zinc/03/64/26/772036426.db2.gz YVZWWKGKANSBJD-LBPRGKRZSA-N 1 0 306.366 1.733 20 5 DDBDRO CCOC(=O)CN(CC[NH3+])c1cc(F)cc(F)c1[N+](=O)[O-] ZINC001170994517 772042846 /nfs/dbraw/zinc/04/28/46/772042846.db2.gz UNKXYZXVLMTADB-UHFFFAOYSA-N 1 0 303.265 1.201 20 5 DDBDRO CCOC(=O)c1cnc(NC[C@H]2CCCC[NH2+]2)c([N+](=O)[O-])c1 ZINC001171326588 773412242 /nfs/dbraw/zinc/41/22/42/773412242.db2.gz BYWDMJILRJXEEU-LLVKDONJSA-N 1 0 308.338 1.721 20 5 DDBDRO CN(CCNC(=O)C[N@H+](C)C1CCC1)c1ccccc1[N+](=O)[O-] ZINC001100386441 776082249 /nfs/dbraw/zinc/08/22/49/776082249.db2.gz AVFVNNIUDNREAX-UHFFFAOYSA-N 1 0 320.393 1.632 20 5 DDBDRO Cc1ccnc(NCCCNC(=O)CCC[NH+](C)C)c1[N+](=O)[O-] ZINC001094744763 776243116 /nfs/dbraw/zinc/24/31/16/776243116.db2.gz KUKKQQGUAJETFL-UHFFFAOYSA-N 1 0 323.397 1.558 20 5 DDBDRO O=C1C[C@@H](C[NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C(=O)N1 ZINC001172902967 776916155 /nfs/dbraw/zinc/91/61/55/776916155.db2.gz NQRJNEIMXOYUOX-QWHCGFSZSA-N 1 0 317.345 1.095 20 5 DDBDRO CC1(C)C(=O)NC[C@H]1[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172908413 776917749 /nfs/dbraw/zinc/91/77/49/776917749.db2.gz MMVXANSWIMIPJZ-UKRRQHHQSA-N 1 0 317.389 1.956 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@@H]2CCNC2=O)c1F ZINC001173175624 777033960 /nfs/dbraw/zinc/03/39/60/777033960.db2.gz CAIZCIOBMMOJAP-WCBMZHEXSA-N 1 0 311.313 1.152 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@@H]2CCN(C)C2)c1F ZINC001173177222 777034343 /nfs/dbraw/zinc/03/43/43/777034343.db2.gz RTMOIQRAZUDSER-GHMZBOCLSA-N 1 0 311.357 1.967 20 5 DDBDRO COC(=O)C1(O)CC[NH+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173229824 777063592 /nfs/dbraw/zinc/06/35/92/777063592.db2.gz ANHUHYNSIPHEDR-LBPRGKRZSA-N 1 0 322.361 1.526 20 5 DDBDRO COC(=O)C[C@H]1CN([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC001173235769 777065187 /nfs/dbraw/zinc/06/51/87/777065187.db2.gz ZEAQOWPFZVDGRP-WFASDCNBSA-N 1 0 322.361 1.790 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(NCCN(C)C(=O)C[N@@H+](C)C(C)C)n1 ZINC001101657888 777354805 /nfs/dbraw/zinc/35/48/05/777354805.db2.gz WLTYPQSRFRIJNW-UHFFFAOYSA-N 1 0 323.397 1.509 20 5 DDBDRO CC[N@H+](C)CCC(=O)N(C)CCNc1nc(C)ccc1[N+](=O)[O-] ZINC001101756864 777479772 /nfs/dbraw/zinc/47/97/72/777479772.db2.gz PWRONXSVZMHOCQ-UHFFFAOYSA-N 1 0 323.397 1.510 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(NCCN(C)C(=O)CCC[NH+](C)C)n1 ZINC001101939245 777703529 /nfs/dbraw/zinc/70/35/29/777703529.db2.gz WOLSCJGHGUMHIY-UHFFFAOYSA-N 1 0 323.397 1.510 20 5 DDBDRO CCC1(CC)CNC(=O)[C@@H]1[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001176454024 778153313 /nfs/dbraw/zinc/15/33/13/778153313.db2.gz YETDAIOOQVMTAE-KBPBESRZSA-N 1 0 321.377 1.523 20 5 DDBDRO O=C(Cc1ccc[nH]1)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001176644553 778199803 /nfs/dbraw/zinc/19/98/03/778199803.db2.gz VQSATHOOUVWSRI-UHFFFAOYSA-N 1 0 316.361 1.762 20 5 DDBDRO O=[N+]([O-])c1cnc2ccc(F)cc2c1NCC[NH+]1CC=CC1 ZINC001120027657 781729674 /nfs/dbraw/zinc/72/96/74/781729674.db2.gz SKJIGGXVVULRDV-UHFFFAOYSA-N 1 0 302.309 1.988 20 5 DDBDRO C[N@H+](CCNC(=O)c1cncs1)Cc1ccc([N+](=O)[O-])cc1 ZINC001267187961 837498588 /nfs/dbraw/zinc/49/85/88/837498588.db2.gz HUUYGCNXMBFBJB-UHFFFAOYSA-N 1 0 320.374 1.913 20 5 DDBDRO Cc1cncc([N+](=O)[O-])c1N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC001326394348 861328852 /nfs/dbraw/zinc/32/88/52/861328852.db2.gz OBMWYYIXQOYYFC-CQSZACIVSA-N 1 0 319.409 1.514 20 5 DDBDRO O=[N+]([O-])c1cccc(-n2nc(C(F)(F)F)c3c2CC[NH2+]C3)n1 ZINC001154848669 861510625 /nfs/dbraw/zinc/51/06/25/861510625.db2.gz ZGXIYFRCARGAFH-UHFFFAOYSA-N 1 0 313.239 1.840 20 5 DDBDRO [NH3+]Cc1ccnn1-c1nc(C(F)(F)F)nc(Cl)c1[N+](=O)[O-] ZINC001155124817 861755032 /nfs/dbraw/zinc/75/50/32/861755032.db2.gz OOEDKUGXZNPNFS-UHFFFAOYSA-N 1 0 322.634 1.701 20 5 DDBDRO C/C(=C/C(=O)NCCC[NH2+]Cc1c([N+](=O)[O-])ncn1C)C1CC1 ZINC001155166455 861793241 /nfs/dbraw/zinc/79/32/41/861793241.db2.gz SLFINXVAXWVBLG-FLIBITNWSA-N 1 0 321.381 1.281 20 5 DDBDRO COC(=O)[C@@H](Nc1nccc(Cl)c1[N+](=O)[O-])C(C)(C)[NH3+] ZINC001155369327 862001978 /nfs/dbraw/zinc/00/19/78/862001978.db2.gz SXRZKJQBMYTHKT-MRVPVSSYSA-N 1 0 302.718 1.334 20 5 DDBDRO O=[N+]([O-])c1c(Cl)ccnc1NCC[C@@H]1CCOC12C[NH2+]C2 ZINC001155472004 862127577 /nfs/dbraw/zinc/12/75/77/862127577.db2.gz WPNIYUNALSNZIA-SECBINFHSA-N 1 0 312.757 1.824 20 5 DDBDRO O=[N+]([O-])c1ccc2c(ccnc2N[C@H]2COCCC23C[NH2+]C3)c1 ZINC001155472099 862127865 /nfs/dbraw/zinc/12/78/65/862127865.db2.gz YFTWFLRDLKELLM-AWEZNQCLSA-N 1 0 314.345 1.933 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)ncnc2NC[C@]12C[NH2+]C[C@H]1COC2 ZINC001155517598 862184910 /nfs/dbraw/zinc/18/49/10/862184910.db2.gz YXXRHWLWAYUCQV-BONVTDFDSA-N 1 0 315.333 1.186 20 5 DDBDRO O=[N+]([O-])c1cnc(N[C@@H]2CCO[C@@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC001155618553 862295552 /nfs/dbraw/zinc/29/55/52/862295552.db2.gz MPVLRVZGPBQALL-RNCFNFMXSA-N 1 0 323.309 1.221 20 5 DDBDRO [NH3+]CCN(CCO)c1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC001155954200 862592245 /nfs/dbraw/zinc/59/22/45/862592245.db2.gz YUBSLFNXWBXAPD-UHFFFAOYSA-N 1 0 302.334 1.414 20 5 DDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CC[N@H+](Cc1ccccc1)C2 ZINC001072725290 857642427 /nfs/dbraw/zinc/64/24/27/857642427.db2.gz LMXWDCIEBVRCJJ-HUUCEWRRSA-N 1 0 315.373 1.386 20 5 DDBDRO [NH3+]C[C@]12CC[C@@H]1CCN2C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC001122320047 858751335 /nfs/dbraw/zinc/75/13/35/858751335.db2.gz MVYCSVAGUJOEPL-IAQYHMDHSA-N 1 0 305.334 1.313 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)O[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC001123003172 859049492 /nfs/dbraw/zinc/04/94/92/859049492.db2.gz RHLDJEYWVMVRDE-RYUDHWBXSA-N 1 0 308.338 1.270 20 5 DDBDRO O=C(CCn1cc([N+](=O)[O-])cn1)OC[C@@H]1CCC[N@@H+]1CC1CC1 ZINC001123376780 859202641 /nfs/dbraw/zinc/20/26/41/859202641.db2.gz UWFSHAITWDVGNE-ZDUSSCGKSA-N 1 0 322.365 1.599 20 5 DDBDRO [NH3+]CCc1nccn1-c1ccc(-c2ccccc2[N+](=O)[O-])nn1 ZINC001156484254 863092298 /nfs/dbraw/zinc/09/22/98/863092298.db2.gz KKUBZMRSNBXLPG-UHFFFAOYSA-N 1 0 310.317 1.739 20 5 DDBDRO CN(C)/C=C/c1cc(N[C@H]2C[NH2+]CC[C@H]2F)ncc1[N+](=O)[O-] ZINC001157449931 863826722 /nfs/dbraw/zinc/82/67/22/863826722.db2.gz BMOPLFNVCKFOOB-XCOQAZTISA-N 1 0 309.345 1.634 20 5 DDBDRO CCOC(=O)c1ccnc(N2CCC[C@@H]([NH3+])[C@@H]2C)c1[N+](=O)[O-] ZINC001157748152 864098952 /nfs/dbraw/zinc/09/89/52/864098952.db2.gz SYVHBDNZPTXBEV-GXSJLCMTSA-N 1 0 308.338 1.483 20 5 DDBDRO O=C(NCCC[NH2+]Cc1ccc(Cl)s1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157761390 864111203 /nfs/dbraw/zinc/11/12/03/864111203.db2.gz QKUDTWIYBBUFTA-NXEZZACHSA-N 1 0 317.798 1.663 20 5 DDBDRO Cc1cc(Cl)c([N+](=O)[O-])c(-n2cc3c(n2)CC[C@H]([NH3+])C3)n1 ZINC001157990551 864338154 /nfs/dbraw/zinc/33/81/54/864338154.db2.gz UWDDNVJUCAMEDS-VIFPVBQESA-N 1 0 307.741 1.953 20 5 DDBDRO C[C@@H]1C[C@@H](N(C)C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC001330570311 864458709 /nfs/dbraw/zinc/45/87/09/864458709.db2.gz AESZOOKKNROUAC-OSAQELSMSA-N 1 0 321.377 1.569 20 5 DDBDRO CCOC(=O)C1(Nc2ncc([N+](=O)[O-])c(C)n2)CC[NH+](C)CC1 ZINC001158573583 864740053 /nfs/dbraw/zinc/74/00/53/864740053.db2.gz JBSPACCZNNYARE-UHFFFAOYSA-N 1 0 323.353 1.133 20 5 DDBDRO Cc1nn(CN2CCN(c3cc[nH+]cc3)C[C@H]2C)cc1[N+](=O)[O-] ZINC001331060868 864815635 /nfs/dbraw/zinc/81/56/35/864815635.db2.gz BOZKTKJBYLAYCV-GFCCVEGCSA-N 1 0 316.365 1.663 20 5 DDBDRO CC(C)Oc1nc(N2CCC3(C[NH2+]C3)CC2)ccc1[N+](=O)[O-] ZINC001159049734 865076979 /nfs/dbraw/zinc/07/69/79/865076979.db2.gz KXHRLSGAOMLLEL-UHFFFAOYSA-N 1 0 306.366 1.967 20 5 DDBDRO Cc1nc(Cl)nc(N[C@H](C)[C@H]2C[NH2+]CCO2)c1[N+](=O)[O-] ZINC001159489148 865342477 /nfs/dbraw/zinc/34/24/77/865342477.db2.gz KKYZTLJJHUGECJ-HTRCEHHLSA-N 1 0 301.734 1.135 20 5 DDBDRO O=[N+]([O-])c1cc2nc(Cl)ccc2cc1N[C@@H]1C[NH2+]C[C@@H]1CO ZINC001159684077 865470185 /nfs/dbraw/zinc/47/01/85/865470185.db2.gz ZGNTYXVPXQMLDL-BXKDBHETSA-N 1 0 322.752 1.789 20 5 DDBDRO CC[C@@]([NH3+])(CO)Nc1ccc(-c2ccc(F)c([N+](=O)[O-])c2)nn1 ZINC001159749322 865499411 /nfs/dbraw/zinc/49/94/11/865499411.db2.gz XCAFWAZSDXLECB-AWEZNQCLSA-N 1 0 321.312 1.660 20 5 DDBDRO [NH3+][C@H]1CCc2c3ccccc3n(-c3cc([N+](=O)[O-])cc[n+]3[O-])c2C1 ZINC001159948284 865610400 /nfs/dbraw/zinc/61/04/00/865610400.db2.gz UDIMPIPXHFYNCA-NSHDSACASA-N 1 0 324.340 1.988 20 5 DDBDRO COc1cc(N[C@H]2CC[NH2+]C[C@@H]2C(F)(F)F)ncc1[N+](=O)[O-] ZINC001160735178 866086442 /nfs/dbraw/zinc/08/64/42/866086442.db2.gz CYGAKYYXOQRKDY-YUMQZZPRSA-N 1 0 320.271 1.951 20 5 DDBDRO CC(=O)CCc1ccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)cc1 ZINC001225696623 881982817 /nfs/dbraw/zinc/98/28/17/881982817.db2.gz WYJBJDGEBDGXAI-OAHLLOKOSA-N 1 0 308.398 1.571 20 5 DDBDRO CCn1c(C)nc([N+](=O)[O-])c1NCC(C)(C)N1CC[NH+](C)CC1 ZINC001323610529 866720233 /nfs/dbraw/zinc/72/02/33/866720233.db2.gz RJAFUHDNSAVRME-UHFFFAOYSA-N 1 0 324.429 1.558 20 5 DDBDRO C[NH+](C)C[C@@](C)(O)CNc1ncc([N+](=O)[O-])c2ccccc21 ZINC001333925032 867160825 /nfs/dbraw/zinc/16/08/25/867160825.db2.gz ATAZBYLROXMJMY-HNNXBMFYSA-N 1 0 304.350 1.868 20 5 DDBDRO COC(=O)c1ncc([N+](=O)[O-])c(C)c1N[C@H]1CCC[C@@H]([NH3+])C1 ZINC001162397621 867513198 /nfs/dbraw/zinc/51/31/98/867513198.db2.gz WZFABLRWSCXIQI-ZJUUUORDSA-N 1 0 308.338 1.767 20 5 DDBDRO O=[N+]([O-])c1c[nH]c2ncnc(NC[C@@]3(F)CCCC[NH2+]C3)c12 ZINC001162579376 867658701 /nfs/dbraw/zinc/65/87/01/867658701.db2.gz JGCASXYTVOOJKS-CYBMUJFWSA-N 1 0 308.317 1.760 20 5 DDBDRO COC(=O)c1ccnc(NC[C@@H]2CC[NH2+]C[C@@H]2F)c1[N+](=O)[O-] ZINC001162804930 867838039 /nfs/dbraw/zinc/83/80/39/867838039.db2.gz ANIFMJQYXWFTDN-WPRPVWTQSA-N 1 0 312.301 1.136 20 5 DDBDRO COC(=O)c1ncc([N+](=O)[O-])c(C)c1N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC001162985045 867973314 /nfs/dbraw/zinc/97/33/14/867973314.db2.gz YTJVCPYUBUHVPG-XHDPSFHLSA-N 1 0 320.349 1.781 20 5 DDBDRO CCOc1cnc(NCc2noc3c2C[NH2+]CC3)c([N+](=O)[O-])c1 ZINC001163126288 868131096 /nfs/dbraw/zinc/13/10/96/868131096.db2.gz PSUXPDXHBYIKTG-UHFFFAOYSA-N 1 0 319.321 1.634 20 5 DDBDRO COc1nc(N(C(C)C)C(C)(C)C[NH3+])nc(OC)c1[N+](=O)[O-] ZINC001163188253 868197651 /nfs/dbraw/zinc/19/76/51/868197651.db2.gz QNQRGOXYBGGXPP-UHFFFAOYSA-N 1 0 313.358 1.354 20 5 DDBDRO Cc1c[n+]([O-])c(NC[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)cc1[N+](=O)[O-] ZINC001163268774 868286467 /nfs/dbraw/zinc/28/64/67/868286467.db2.gz FHUPAKIJLZDHDL-DOMZBBRYSA-N 1 0 322.365 1.107 20 5 DDBDRO COc1cc(NC[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)cnc1[N+](=O)[O-] ZINC001163284970 868308131 /nfs/dbraw/zinc/30/81/31/868308131.db2.gz PVMPXGHOALPNIB-XHDPSFHLSA-N 1 0 322.365 1.569 20 5 DDBDRO CNc1cc([N+](=O)[O-])cnc1N[C@H]1CCO[C@@]2(CC[NH2+]C2)C1 ZINC001163310061 868335206 /nfs/dbraw/zinc/33/52/06/868335206.db2.gz JTNTVAQYERDSCA-HZMBPMFUSA-N 1 0 307.354 1.355 20 5 DDBDRO COc1nc(C)c(N[C@H]2CCO[C@]3(CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC001163324290 868351121 /nfs/dbraw/zinc/35/11/21/868351121.db2.gz RRDNYTJCAYNIDV-XHDPSFHLSA-N 1 0 322.365 1.630 20 5 DDBDRO O=[N+]([O-])c1c2[nH]cnc2ccc1N[C@H]1CCO[C@]2(CC[NH2+]C2)C1 ZINC001163329589 868359021 /nfs/dbraw/zinc/35/90/21/868359021.db2.gz YZJJIXSMOGWVGY-ZUZCIYMTSA-N 1 0 317.349 1.794 20 5 DDBDRO O=[N+]([O-])c1ccc2nc(N[C@H]3C[NH2+][C@@H]4CCO[C@@H]43)ccc2c1 ZINC001163336151 868363686 /nfs/dbraw/zinc/36/36/86/868363686.db2.gz IRSWFUUHCTYSST-IPYPFGDCSA-N 1 0 300.318 1.684 20 5 DDBDRO O=[N+]([O-])c1cc2c(cc1F)ncnc2N[C@H]1C[NH2+][C@@H]2CCO[C@@H]21 ZINC001163336203 868366740 /nfs/dbraw/zinc/36/67/40/868366740.db2.gz JNTLWUQDVJYSDK-CDMKHQONSA-N 1 0 319.296 1.218 20 5 DDBDRO O=[N+]([O-])c1cc2c(nc1N1CC([NH2+][C@H]3CCOC3)C1)CCCC2 ZINC001164233793 869041113 /nfs/dbraw/zinc/04/11/13/869041113.db2.gz BRPVJSOJWRFLRZ-LBPRGKRZSA-N 1 0 318.377 1.436 20 5 DDBDRO C[C@](O)(C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC001336699024 869098164 /nfs/dbraw/zinc/09/81/64/869098164.db2.gz JATJWZZRZYIOIN-MNOVXSKESA-N 1 0 308.256 1.531 20 5 DDBDRO CN(C)/C=C\c1cc(N2C[C@@H]3C[NH+](C)C[C@H]3C2)ncc1[N+](=O)[O-] ZINC001165147386 869408022 /nfs/dbraw/zinc/40/80/22/869408022.db2.gz FKAQKHXNOFFWIL-MRYXHSKJSA-N 1 0 317.393 1.520 20 5 DDBDRO O=[N+]([O-])c1ccccc1-c1ccc(-n2ncc3c2CC[NH2+]C3)nn1 ZINC001165222654 869445677 /nfs/dbraw/zinc/44/56/77/869445677.db2.gz GNICQWJBSMQZHG-UHFFFAOYSA-N 1 0 322.328 1.883 20 5 DDBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1C[C@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001165433603 869596472 /nfs/dbraw/zinc/59/64/72/869596472.db2.gz OOWROQRQYQEZFC-WDEREUQCSA-N 1 0 310.329 1.050 20 5 DDBDRO COC(=O)[C@@H]1C[NH2+]CCN1c1ccc2c(cccc2[N+](=O)[O-])n1 ZINC001165439257 869602917 /nfs/dbraw/zinc/60/29/17/869602917.db2.gz PTPFCYWWBTZJPL-ZDUSSCGKSA-N 1 0 316.317 1.094 20 5 DDBDRO COC(=O)[C@H]1C[NH2+]CCN1c1nccc2cc([N+](=O)[O-])ccc21 ZINC001165443365 869606375 /nfs/dbraw/zinc/60/63/75/869606375.db2.gz UDEMJIJBJOECBQ-CYBMUJFWSA-N 1 0 316.317 1.094 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])c(-n2ccnc2CC[NH3+])cc1OC ZINC001166370333 869970733 /nfs/dbraw/zinc/97/07/33/869970733.db2.gz WKTWRZWDXIHWKN-UHFFFAOYSA-N 1 0 320.305 1.077 20 5 DDBDRO CC[C@H](C)NC(=O)[C@H](C)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001338420843 869971741 /nfs/dbraw/zinc/97/17/41/869971741.db2.gz BZAVBYXQDHWIJG-COPLHBTASA-N 1 0 309.366 1.521 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N2CCC[C@@]3(CC[N@@H+](C)C3)C2)n1 ZINC001298101786 870279787 /nfs/dbraw/zinc/27/97/87/870279787.db2.gz AJJNPSZBJPPSEO-INIZCTEOSA-N 1 0 318.377 1.856 20 5 DDBDRO COc1nc(N2CCC([C@H]3CCC[NH2+]3)CC2)ccc1[N+](=O)[O-] ZINC001166900995 870352102 /nfs/dbraw/zinc/35/21/02/870352102.db2.gz YDPVLUWGBXEYOV-GFCCVEGCSA-N 1 0 306.366 1.967 20 5 DDBDRO COc1cc(N[C@@H](C)[C@H]2C[N@H+](C)CCN2C)ccc1[N+](=O)[O-] ZINC001339815423 870712344 /nfs/dbraw/zinc/71/23/44/870712344.db2.gz MPDPUAWHOPFNBN-SMDDNHRTSA-N 1 0 308.382 1.650 20 5 DDBDRO CCn1c(C[N+](=O)[O-])nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC001340112926 870899322 /nfs/dbraw/zinc/89/93/22/870899322.db2.gz IJJKCDFFKUBWGX-LBPRGKRZSA-N 1 0 322.413 1.385 20 5 DDBDRO CN(CC[NH2+]CC1CCC2(CC2)CC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001317584655 871142199 /nfs/dbraw/zinc/14/21/99/871142199.db2.gz FKJCBFGCGOXHFZ-ZIAGYGMSSA-N 1 0 309.410 1.670 20 5 DDBDRO C[C@@H]1CC[C@@H](NC(=O)CCc2cc(F)ccc2[N+](=O)[O-])C[NH2+]1 ZINC001340716691 871305159 /nfs/dbraw/zinc/30/51/59/871305159.db2.gz DVZPWGOBLDVEAH-ZWNOBZJWSA-N 1 0 309.341 1.923 20 5 DDBDRO O=[N+]([O-])c1cnc(N2CC[NH2+][C@@H](Cc3ccc(F)cc3)C2)nc1 ZINC001307237372 871414366 /nfs/dbraw/zinc/41/43/66/871414366.db2.gz ZQKXYTUYAKLDNY-ZDUSSCGKSA-N 1 0 317.324 1.545 20 5 DDBDRO C[C@@H]1[C@H](C)[NH2+]C[C@H](C)N1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC001341027564 871473558 /nfs/dbraw/zinc/47/35/58/871473558.db2.gz JBSLSTVHEIGPPN-SDDRHHMPSA-N 1 0 306.366 1.604 20 5 DDBDRO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@@H]3C[C@@H]4COC[C@H]4O3)CC2)n1 ZINC001341394325 871641335 /nfs/dbraw/zinc/64/13/35/871641335.db2.gz YJMQSIAZUVZMGE-KWCYVHTRSA-N 1 0 322.365 1.232 20 5 DDBDRO [NH3+]C[C@]12CC[C@H]1CCN2C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC001341591165 871727046 /nfs/dbraw/zinc/72/70/46/871727046.db2.gz LVLBEHDZBYYRFH-XJKSGUPXSA-N 1 0 303.362 1.867 20 5 DDBDRO C[NH+](C)[C@@H]1CCCC[C@H]1Nc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC001341771646 871816277 /nfs/dbraw/zinc/81/62/77/871816277.db2.gz ZKZIPKTVGBGQFX-ZIAGYGMSSA-N 1 0 308.382 1.954 20 5 DDBDRO [NH3+][C@H]1C[C@@H](NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC001342075126 871991801 /nfs/dbraw/zinc/99/18/01/871991801.db2.gz YPMLAMAYISILIZ-BETUJISGSA-N 1 0 321.380 1.761 20 5 DDBDRO CN(CC(=O)NC[C@@H]1CCCCC[NH2+]1)c1ccccc1[N+](=O)[O-] ZINC001342207761 872068046 /nfs/dbraw/zinc/06/80/46/872068046.db2.gz YVPXEIDINFRWCY-ZDUSSCGKSA-N 1 0 320.393 1.679 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001342664317 872325825 /nfs/dbraw/zinc/32/58/25/872325825.db2.gz NTDWZMUBCWJUCN-QWHCGFSZSA-N 1 0 303.362 1.893 20 5 DDBDRO C[C@@H]1C[C@H](NC(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC001343485348 872643472 /nfs/dbraw/zinc/64/34/72/872643472.db2.gz DAPQYMXOOBAOHM-DWZYQQQCSA-N 1 0 303.362 1.955 20 5 DDBDRO C[C@@H](NC(=O)CO[C@@H]1CCC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC001344790387 873117459 /nfs/dbraw/zinc/11/74/59/873117459.db2.gz WLBNDAAQZYMESF-BXUZGUMPSA-N 1 0 307.350 1.541 20 5 DDBDRO C[NH2+][C@@H](C)CCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC001346013655 873590893 /nfs/dbraw/zinc/59/08/93/873590893.db2.gz FJQPBPKOQOSQJE-LBPRGKRZSA-N 1 0 320.393 1.923 20 5 DDBDRO C[NH+](C)C[C@@]1(O)CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC001347175598 874043111 /nfs/dbraw/zinc/04/31/11/874043111.db2.gz QTSWSRVJBLOZKY-SBSDFTTDSA-N 1 0 319.361 1.133 20 5 DDBDRO C[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001347505016 874165464 /nfs/dbraw/zinc/16/54/64/874165464.db2.gz UOOJJDVBKDPNPE-KBPBESRZSA-N 1 0 307.350 1.229 20 5 DDBDRO CC[N@@H+]1CCN(c2nnc([C@@H](C)[N+](=O)[O-])n2CC2CC2)C[C@H]1C ZINC001348145019 874378751 /nfs/dbraw/zinc/37/87/51/874378751.db2.gz JLMLDVBFJILHMN-VXGBXAGGSA-N 1 0 322.413 1.556 20 5 DDBDRO COCC[NH2+]CCNC(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC001357444974 879973647 /nfs/dbraw/zinc/97/36/47/879973647.db2.gz SGNOQVAZRSUUOC-UHFFFAOYSA-N 1 0 313.329 1.019 20 5 DDBDRO COc1ccc(CO[C@H](C)CN2CCOCC2)cc1[N+](=O)[O-] ZINC001223651403 881042291 /nfs/dbraw/zinc/04/22/91/881042291.db2.gz WXZNVYDRWRTFNU-GFCCVEGCSA-N 1 0 310.350 1.841 20 5 DDBDRO COC(=O)[C@@H]1C[C@@H](OCc2ccc(OC)c([N+](=O)[O-])c2)CN1C ZINC001223649745 881042703 /nfs/dbraw/zinc/04/27/03/881042703.db2.gz TVNWZFHZZGHVHH-YPMHNXCESA-N 1 0 324.333 1.366 20 5 DDBDRO CCOC(=O)Cc1c[nH]c(=S)nc1O[C@@H](C)C[N+](C)(C)C ZINC001228714926 883636792 /nfs/dbraw/zinc/63/67/92/883636792.db2.gz YZVCYLVNUVYNHE-JTQLQIEISA-O 1 0 314.431 1.344 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc2c(Cl)ncnc2c1 ZINC001231116178 885248900 /nfs/dbraw/zinc/24/89/00/885248900.db2.gz PVYDZPAHGUAEFW-SNVBAGLBSA-N 1 0 324.788 1.646 20 5 DDBDRO CC[N@@H+]1CCC[C@H](Oc2nc(NC(C)=O)nc(C)c2[N+](=O)[O-])C1 ZINC001234911804 888246168 /nfs/dbraw/zinc/24/61/68/888246168.db2.gz QSDWWKMDKFECKM-NSHDSACASA-N 1 0 323.353 1.515 20 5 DDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001246638823 892761633 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DDBDRO CC1(C(N)=O)CC[NH+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254597265 896525382 /nfs/dbraw/zinc/52/53/82/896525382.db2.gz CJQYRPMTPNENHO-CQSZACIVSA-N 1 0 303.362 1.649 20 5 DDBDRO O=C1CC[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C[C@@H]2CCCN12 ZINC001254605307 896526870 /nfs/dbraw/zinc/52/68/70/896526870.db2.gz BDLKYZGGFSAPOD-HOTGVXAUSA-N 1 0 315.373 1.759 20 5 DDBDRO COCCC[NH+]1CCN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254602497 896527664 /nfs/dbraw/zinc/52/76/64/896527664.db2.gz FZULSZCSAKQINO-KRWDZBQOSA-N 1 0 319.405 1.716 20 5 DDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC001261256833 899437600 /nfs/dbraw/zinc/43/76/00/899437600.db2.gz VXNOXNZXVRLFFM-SNVBAGLBSA-N 1 0 320.271 1.646 20 5 DDBDRO O=C(NC[C@H]1CCC[NH2+]C1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001261375974 899522183 /nfs/dbraw/zinc/52/21/83/899522183.db2.gz DXTHWVATZJSANC-NSHDSACASA-N 1 0 304.350 1.620 20 5 DDBDRO CC[C@]1(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)CC[NH2+]C1 ZINC001261454205 899580182 /nfs/dbraw/zinc/58/01/82/899580182.db2.gz BLIOETIAKMNOKH-HNNXBMFYSA-N 1 0 306.366 1.513 20 5 DDBDRO C[N@@H+]1C[C@@H]2CN(C(=O)c3cc(F)cc([N+](=O)[O-])c3N)C[C@]2(C)C1 ZINC001262346304 900128468 /nfs/dbraw/zinc/12/84/68/900128468.db2.gz PNZFAPBHZZSRGW-PSLIRLAXSA-N 1 0 322.340 1.340 20 5 DDBDRO C[C@@H]1C[N@@H+](CCCCNc2c([N+](=O)[O-])cnn2C)C[C@H](C)O1 ZINC001262360008 900130524 /nfs/dbraw/zinc/13/05/24/900130524.db2.gz RUHMTQZEZYHNKK-TXEJJXNPSA-N 1 0 311.386 1.630 20 5 DDBDRO CCn1c(-c2ccc([N+](=O)[O-])o2)nnc1N1CC[NH+](CC)CC1 ZINC001263021447 900470869 /nfs/dbraw/zinc/47/08/69/900470869.db2.gz UEMJQKHOHYQDPO-UHFFFAOYSA-N 1 0 320.353 1.608 20 5 DDBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N1CCC2(C[NH2+]C2)CC1 ZINC001263151835 900517630 /nfs/dbraw/zinc/51/76/30/900517630.db2.gz NCKKNYRTYZRPMM-UHFFFAOYSA-N 1 0 318.377 1.609 20 5 DDBDRO COCCC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001263823606 900741111 /nfs/dbraw/zinc/74/11/11/900741111.db2.gz RICRGKNBOYAABC-OKILXGFUSA-N 1 0 321.377 1.616 20 5 DDBDRO C[N@@H+](C/C=C/c1ccccc1)CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001264985076 901393631 /nfs/dbraw/zinc/39/36/31/901393631.db2.gz LUJKBWIHTWSMBL-IBBQAADRSA-N 1 0 317.389 1.803 20 5 DDBDRO CO[C@@H]1CCC[C@H]1[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000451626851 231142774 /nfs/dbraw/zinc/14/27/74/231142774.db2.gz AGTDGWYVCAMSQR-ZIAGYGMSSA-N 1 0 307.350 1.715 20 5 DDBDRO COc1ccc(OCCN2C[C@@H]3CC[N@H+](C)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000451626498 231143204 /nfs/dbraw/zinc/14/32/04/231143204.db2.gz FFXHXUFIWAMVEY-SWLSCSKDSA-N 1 0 321.377 1.618 20 5 DDBDRO C[C@H]([NH2+][C@@H]1COCC1(C)C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000451809101 231200247 /nfs/dbraw/zinc/20/02/47/231200247.db2.gz LMNQUWJHUVDTGA-GXFFZTMASA-N 1 0 307.350 1.936 20 5 DDBDRO Cc1cc(C(=O)NC[C@H]2CCC[N@@H+]2CCCO)ccc1[N+](=O)[O-] ZINC000452347630 231355389 /nfs/dbraw/zinc/35/53/89/231355389.db2.gz JEQHZWIZBCMJOL-CQSZACIVSA-N 1 0 321.377 1.480 20 5 DDBDRO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000358133231 299085178 /nfs/dbraw/zinc/08/51/78/299085178.db2.gz PZYMWISOBPTRID-LLVKDONJSA-N 1 0 311.386 1.371 20 5 DDBDRO COC[C@@H]1CN(CCOc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000252039446 282208419 /nfs/dbraw/zinc/20/84/19/282208419.db2.gz ZEDYVRJZMSUJNO-STQMWFEESA-N 1 0 310.350 1.709 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000458180748 232268247 /nfs/dbraw/zinc/26/82/47/232268247.db2.gz ZAOAVZBBGVOJHH-GFCCVEGCSA-N 1 0 306.366 1.760 20 5 DDBDRO C[C@@H]1C[C@@H](NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC[NH2+]1 ZINC000235431481 201916514 /nfs/dbraw/zinc/91/65/14/201916514.db2.gz JFFYUFIRNHYFPD-BDAKNGLRSA-N 1 0 317.342 1.153 20 5 DDBDRO Cn1ccnc1[C@@H]1OCC[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000343393892 282655076 /nfs/dbraw/zinc/65/50/76/282655076.db2.gz XCROKVNSYLMXEU-ZIAGYGMSSA-N 1 0 302.334 1.948 20 5 DDBDRO CON1CCC([N@H+](C)CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000459594187 233353142 /nfs/dbraw/zinc/35/31/42/233353142.db2.gz XPEHBVPKSPZJDX-UHFFFAOYSA-N 1 0 309.366 1.931 20 5 DDBDRO C[C@@H]1[NH2+]CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)[C@H]1C ZINC000262880911 186318372 /nfs/dbraw/zinc/31/83/72/186318372.db2.gz VXKFNTHHPTUOST-UWVGGRQHSA-N 1 0 311.769 2.000 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCCc2ccc(O)cc2)c1 ZINC000564855333 304019450 /nfs/dbraw/zinc/01/94/50/304019450.db2.gz WCAMBFRVXWDROW-OAHLLOKOSA-N 1 0 320.349 1.080 20 5 DDBDRO COC(=O)c1cc(C(=O)NC[C@H](C)[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000033093009 352288353 /nfs/dbraw/zinc/28/83/53/352288353.db2.gz AGTGBXGWNHBAJG-VIFPVBQESA-N 1 0 309.322 1.061 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000057554924 352820238 /nfs/dbraw/zinc/82/02/38/352820238.db2.gz SHQJJIGJHCWEKY-SNVBAGLBSA-N 1 0 305.334 1.570 20 5 DDBDRO CC[NH+](CC)CCNS(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC000601281623 358477187 /nfs/dbraw/zinc/47/71/87/358477187.db2.gz RJBMOEZGXWHODR-UHFFFAOYSA-N 1 0 321.424 1.585 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000564994784 304034635 /nfs/dbraw/zinc/03/46/35/304034635.db2.gz HODCEQXPGNXVNL-GFCCVEGCSA-N 1 0 306.366 1.395 20 5 DDBDRO CC[N@@H+](Cc1cccs1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174664742 198367776 /nfs/dbraw/zinc/36/77/76/198367776.db2.gz JZYJMEOCUGSING-GFCCVEGCSA-N 1 0 310.379 1.736 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)c1 ZINC000108301062 353949004 /nfs/dbraw/zinc/94/90/04/353949004.db2.gz LPPIONYTSIAXAD-LBPRGKRZSA-N 1 0 319.361 1.818 20 5 DDBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCN1CCC(O)CC1 ZINC000294762129 295873095 /nfs/dbraw/zinc/87/30/95/295873095.db2.gz FBNNYNXORCXIFC-AWEZNQCLSA-N 1 0 321.421 1.962 20 5 DDBDRO O=[N+]([O-])c1ccccc1OCC[NH+]1CCC(OCCCO)CC1 ZINC000154842009 354209537 /nfs/dbraw/zinc/20/95/37/354209537.db2.gz IPIFOFNRVAVLHY-UHFFFAOYSA-N 1 0 324.377 1.837 20 5 DDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)C[C@H](O)C1CC1 ZINC000305730648 354471256 /nfs/dbraw/zinc/47/12/56/354471256.db2.gz KIYQMCRENGQLKC-YGRLFVJLSA-N 1 0 307.350 1.625 20 5 DDBDRO C[N@H+](CCNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-])C1CC1 ZINC000314998627 354490574 /nfs/dbraw/zinc/49/05/74/354490574.db2.gz IXZPXJQBFXLZHR-UHFFFAOYSA-N 1 0 303.322 1.750 20 5 DDBDRO CO[C@@H]1CCN(C(=O)c2cc(C)ccc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000316950488 354507140 /nfs/dbraw/zinc/50/71/40/354507140.db2.gz CLJFZAZDXPWAHO-VXGBXAGGSA-N 1 0 307.350 1.482 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H](CO)C[NH+](C)C ZINC000588866927 354944295 /nfs/dbraw/zinc/94/42/95/354944295.db2.gz TWVVUYQWMKRYEX-GFCCVEGCSA-N 1 0 309.366 1.172 20 5 DDBDRO NC(=O)C[C@@H]1CC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000589209261 354973974 /nfs/dbraw/zinc/97/39/74/354973974.db2.gz BLLWSSUWDRGVKZ-JTQLQIEISA-N 1 0 321.333 1.063 20 5 DDBDRO CCN(CC(=O)N(C)C)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589495045 354996120 /nfs/dbraw/zinc/99/61/20/354996120.db2.gz PBBULYDVBIDQOK-UHFFFAOYSA-N 1 0 323.349 1.292 20 5 DDBDRO CC[NH+]1CCN(Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])CC1 ZINC000589494638 354996256 /nfs/dbraw/zinc/99/62/56/354996256.db2.gz VMICISSTHWCVEU-UHFFFAOYSA-N 1 0 307.350 1.519 20 5 DDBDRO CC(C)[NH2+][C@@H]1CCCN(c2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000589568952 355001568 /nfs/dbraw/zinc/00/15/68/355001568.db2.gz JIMWHUCMFYQAHI-SNVBAGLBSA-N 1 0 307.354 1.056 20 5 DDBDRO CCc1ccc(C(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000590044204 355042365 /nfs/dbraw/zinc/04/23/65/355042365.db2.gz IFRXHFZPJYPXOM-ZFWWWQNUSA-N 1 0 303.362 1.933 20 5 DDBDRO CNc1ccc(C(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000590441582 355095551 /nfs/dbraw/zinc/09/55/51/355095551.db2.gz DAKPKNWYHNDAFA-RISCZKNCSA-N 1 0 304.350 1.413 20 5 DDBDRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1c1ncc([N+](=O)[O-])cc1F ZINC000591155623 355256716 /nfs/dbraw/zinc/25/67/16/355256716.db2.gz SEIWNGBBKOLMSX-JTQLQIEISA-N 1 0 312.345 1.410 20 5 DDBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCCC[NH2+]1 ZINC000591347089 355294493 /nfs/dbraw/zinc/29/44/93/355294493.db2.gz XIXMXQMJRGXMMM-ZDUSSCGKSA-N 1 0 306.366 1.579 20 5 DDBDRO Cc1ccc(NCCCNC(=O)NC[C@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000591352762 355296664 /nfs/dbraw/zinc/29/66/64/355296664.db2.gz KOEDLTRULBRQPW-NSHDSACASA-N 1 0 309.370 1.352 20 5 DDBDRO [NH3+]C[C@H](NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)C1CC1 ZINC000591359930 355300387 /nfs/dbraw/zinc/30/03/87/355300387.db2.gz SHYDFXHJUHUBLT-ZDUSSCGKSA-N 1 0 304.350 1.400 20 5 DDBDRO Cc1cc(NC(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)ccc1[N+](=O)[O-] ZINC000591296430 355283329 /nfs/dbraw/zinc/28/33/29/355283329.db2.gz LCGANBNAVWRNKZ-MFKMUULPSA-N 1 0 308.338 1.483 20 5 DDBDRO COC(=O)c1cc(NC(=O)NC/C=C\C[NH3+])c(C)c([N+](=O)[O-])c1 ZINC000591301869 355284596 /nfs/dbraw/zinc/28/45/96/355284596.db2.gz ZXPNZYLMYUCARE-ARJAWSKDSA-N 1 0 322.321 1.326 20 5 DDBDRO CC(C)(C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccnc1 ZINC000591770786 355382110 /nfs/dbraw/zinc/38/21/10/355382110.db2.gz CYICRIFNRGAUBJ-CQSZACIVSA-N 1 0 319.365 1.115 20 5 DDBDRO C[C@@H](NC(=O)c1cn(CCC[NH3+])nn1)c1cccc([N+](=O)[O-])c1 ZINC000591668790 355357697 /nfs/dbraw/zinc/35/76/97/355357697.db2.gz ZMPAJXDUXQRRIQ-SNVBAGLBSA-N 1 0 318.337 1.026 20 5 DDBDRO CC1(C)C[NH2+]CCN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000591678189 355359968 /nfs/dbraw/zinc/35/99/68/355359968.db2.gz MFEUPYNYPJGYTR-UHFFFAOYSA-N 1 0 318.377 1.993 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)c1 ZINC000591681457 355360982 /nfs/dbraw/zinc/36/09/82/355360982.db2.gz LVAPBYZQSLBAOM-LLVKDONJSA-N 1 0 305.334 1.570 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@H](CCO)c2ccccc2F)c1 ZINC000592162232 355522364 /nfs/dbraw/zinc/52/23/64/355522364.db2.gz VTGLRDUATCIRGN-AWEZNQCLSA-N 1 0 308.313 1.644 20 5 DDBDRO C[C@@H]1[C@H](C(=O)N(C)CCc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000592798733 355696498 /nfs/dbraw/zinc/69/64/98/355696498.db2.gz RGOCUICLHIFEFK-TZMCWYRMSA-N 1 0 305.378 1.936 20 5 DDBDRO CCCN(C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C)C1 ZINC000592828096 355704814 /nfs/dbraw/zinc/70/48/14/355704814.db2.gz BNJAXCRZURDKHR-LLVKDONJSA-N 1 0 308.338 1.252 20 5 DDBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593175626 355817047 /nfs/dbraw/zinc/81/70/47/355817047.db2.gz WRBJKOAKQIAFHU-ZDUSSCGKSA-N 1 0 309.341 1.829 20 5 DDBDRO O=[N+]([O-])c1ccc2ccnc(N3CC([N@@H+]4CC[C@@H](O)C4)C3)c2c1 ZINC000593505628 355906734 /nfs/dbraw/zinc/90/67/34/355906734.db2.gz YFJCJUFUXAJCAX-CQSZACIVSA-N 1 0 314.345 1.398 20 5 DDBDRO C[C@H]1CN(c2ccnc3cc([N+](=O)[O-])ccc32)CC[N@@H+]1CCO ZINC000593468918 355895534 /nfs/dbraw/zinc/89/55/34/355895534.db2.gz GAEWDFKGGWTRBO-LBPRGKRZSA-N 1 0 316.361 1.646 20 5 DDBDRO O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CC[NH+]2CCC1CC2 ZINC000593642931 355952164 /nfs/dbraw/zinc/95/21/64/355952164.db2.gz RZVGAQAYOXZGDS-UHFFFAOYSA-N 1 0 307.325 1.583 20 5 DDBDRO C[NH+](C)CC[C@H](N)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000593904553 356050689 /nfs/dbraw/zinc/05/06/89/356050689.db2.gz YXARCHGZGJUBAM-HNNXBMFYSA-N 1 0 322.409 1.313 20 5 DDBDRO Cc1ccc([C@H](C)NC(=O)[C@H](N)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000593905955 356051626 /nfs/dbraw/zinc/05/16/26/356051626.db2.gz PWCRJGQUKXMULP-WCQYABFASA-N 1 0 308.382 1.359 20 5 DDBDRO Nc1c(C(=O)N2CCC(CC[NH3+])CC2)cc(F)cc1[N+](=O)[O-] ZINC000593916655 356059148 /nfs/dbraw/zinc/05/91/48/356059148.db2.gz OFNFREWCHWAOFV-UHFFFAOYSA-N 1 0 310.329 1.517 20 5 DDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000594429968 356210054 /nfs/dbraw/zinc/21/00/54/356210054.db2.gz XCJGBVPLIXDTHE-XJKSGUPXSA-N 1 0 303.362 1.943 20 5 DDBDRO [NH3+][C@H](c1cn(Cc2ccc([N+](=O)[O-])cc2)nn1)[C@@H]1CCCO1 ZINC000594651257 356274724 /nfs/dbraw/zinc/27/47/24/356274724.db2.gz HADZSFNSHWFPIN-UONOGXRCSA-N 1 0 303.322 1.413 20 5 DDBDRO O=C(CCN1C[C@H]2CC[C@@H](C1)[NH2+]2)Nc1ccccc1[N+](=O)[O-] ZINC000601330781 358501286 /nfs/dbraw/zinc/50/12/86/358501286.db2.gz XHKWSTMVFMRCIP-TXEJJXNPSA-N 1 0 304.350 1.360 20 5 DDBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCNC1=O ZINC000595053293 356376784 /nfs/dbraw/zinc/37/67/84/356376784.db2.gz FYKOTSIQSRGERL-MNOVXSKESA-N 1 0 309.391 1.944 20 5 DDBDRO Cc1cc(S(=O)(=O)NCC[C@@H]([NH3+])C(C)C)ccc1[N+](=O)[O-] ZINC000595120512 356386009 /nfs/dbraw/zinc/38/60/09/356386009.db2.gz GWEKFNLZOHRXSG-GFCCVEGCSA-N 1 0 315.395 1.555 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000595223826 356411497 /nfs/dbraw/zinc/41/14/97/356411497.db2.gz BMFLHRHDRSCLIW-NWDGAFQWSA-N 1 0 321.381 1.323 20 5 DDBDRO CC(C)(CO)[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1cccnc1 ZINC000595502604 356521843 /nfs/dbraw/zinc/52/18/43/356521843.db2.gz ZZGGZKJJCWENSP-AWEZNQCLSA-N 1 0 319.365 1.536 20 5 DDBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CC[C@@H](Cn3ccnn3)C2)cc1 ZINC000595607967 356574104 /nfs/dbraw/zinc/57/41/04/356574104.db2.gz MDIBRYNZNAZYDG-CYBMUJFWSA-N 1 0 317.349 1.587 20 5 DDBDRO COc1cc(C[N@@H+]2CCC[C@](CO)(OC)C2)ccc1[N+](=O)[O-] ZINC000595660250 356596598 /nfs/dbraw/zinc/59/65/98/356596598.db2.gz TVJYGDFAFWBDRL-HNNXBMFYSA-N 1 0 310.350 1.577 20 5 DDBDRO C[C@H]([NH2+][C@@H]1C[C@H](O)C12CCC2)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000595779211 356649093 /nfs/dbraw/zinc/64/90/93/356649093.db2.gz APXJTVPARBEPQN-GDLCADMTSA-N 1 0 319.361 1.815 20 5 DDBDRO C[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCC(F)CC1 ZINC000595821220 356663727 /nfs/dbraw/zinc/66/37/27/356663727.db2.gz XTOHHAIDXKMSMQ-BBCYWQGDSA-N 1 0 314.361 1.659 20 5 DDBDRO Cc1cc(S(=O)(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)c([N+](=O)[O-])s1 ZINC000601346484 358508919 /nfs/dbraw/zinc/50/89/19/358508919.db2.gz QCQZLSGKVBQZLD-DTORHVGOSA-N 1 0 317.392 1.090 20 5 DDBDRO CN(CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)CC(C)(C)[NH3+] ZINC000595898894 356696623 /nfs/dbraw/zinc/69/66/23/356696623.db2.gz OFNMMPMKQSMPDD-UHFFFAOYSA-N 1 0 306.366 1.153 20 5 DDBDRO COCC1([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCCCC1 ZINC000595912297 356702396 /nfs/dbraw/zinc/70/23/96/356702396.db2.gz ZLXUCZVYTTYDQE-ZDUSSCGKSA-N 1 0 312.370 1.091 20 5 DDBDRO COc1ccc(C(=O)NCC2([NH3+])CCCCC2)cc1[N+](=O)[O-] ZINC000237126333 202161110 /nfs/dbraw/zinc/16/11/10/202161110.db2.gz BTSMCIKDSKGLJF-UHFFFAOYSA-N 1 0 307.350 1.995 20 5 DDBDRO C[C@H](C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000596065409 356758466 /nfs/dbraw/zinc/75/84/66/356758466.db2.gz GHYIDKIXXRMUBB-DOMZBBRYSA-N 1 0 310.398 1.958 20 5 DDBDRO CC[NH+](CC)[C@@H]1CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596139981 356789130 /nfs/dbraw/zinc/78/91/30/356789130.db2.gz AZAZSJZRTDSMLG-GFCCVEGCSA-N 1 0 306.366 1.614 20 5 DDBDRO COc1cc(NC[C@@](C)(O)C[NH+](C)C)c(Cl)cc1[N+](=O)[O-] ZINC000596173012 356801897 /nfs/dbraw/zinc/80/18/97/356801897.db2.gz OPCSWZXXVFGLOR-CYBMUJFWSA-N 1 0 317.773 1.981 20 5 DDBDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1c1ccc(N)c([N+](=O)[O-])n1 ZINC000596214205 356816773 /nfs/dbraw/zinc/81/67/73/356816773.db2.gz PDAGTDWCGQELAI-LLVKDONJSA-N 1 0 321.381 1.262 20 5 DDBDRO COc1cc(C[NH2+]C[C@@H](C)Cn2ccnc2)c([N+](=O)[O-])cc1O ZINC000237212660 202191287 /nfs/dbraw/zinc/19/12/87/202191287.db2.gz STIKUUHCCRRFJR-LLVKDONJSA-N 1 0 320.349 1.931 20 5 DDBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000597699615 357291405 /nfs/dbraw/zinc/29/14/05/357291405.db2.gz KSHCYEWSKXOUGT-GWCFXTLKSA-N 1 0 309.341 1.827 20 5 DDBDRO Cn1c(C(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000597855011 357359041 /nfs/dbraw/zinc/35/90/41/357359041.db2.gz OXIYLKXZGDFKGS-LLVKDONJSA-N 1 0 308.382 1.784 20 5 DDBDRO CCN(C(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-])[C@H]1CC[N@H+](CC)C1 ZINC000598041279 357439408 /nfs/dbraw/zinc/43/94/08/357439408.db2.gz SFCAIXINGURTQK-NSHDSACASA-N 1 0 323.397 1.998 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N(C)CC2C[NH+](C)C2)c1 ZINC000598164031 357479652 /nfs/dbraw/zinc/47/96/52/357479652.db2.gz SMFTXFAACDMTAD-UHFFFAOYSA-N 1 0 321.377 1.692 20 5 DDBDRO CCC[N@@H+]1CC[C@@H](NC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000598341615 357543849 /nfs/dbraw/zinc/54/38/49/357543849.db2.gz DSGPGXBNXHXYGR-CYBMUJFWSA-N 1 0 323.397 1.399 20 5 DDBDRO CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(OC)c2)C[C@H](C)[NH2+]1 ZINC000598532474 357623513 /nfs/dbraw/zinc/62/35/13/357623513.db2.gz ZYLQLZOOYUMLRD-CMPLNLGQSA-N 1 0 307.350 1.816 20 5 DDBDRO CC[C@@H](C)[N@H+](C)CCNc1nccc(C(=O)OC)c1[N+](=O)[O-] ZINC000598592920 357645089 /nfs/dbraw/zinc/64/50/89/357645089.db2.gz NDEAINCJYVNSOB-SNVBAGLBSA-N 1 0 310.354 1.919 20 5 DDBDRO COC(=O)c1ccnc(N2CC[C@@H](C[NH+](C)C)C2)c1[N+](=O)[O-] ZINC000598594576 357645744 /nfs/dbraw/zinc/64/57/44/357645744.db2.gz AZWIKIZTAAGLSB-JTQLQIEISA-N 1 0 308.338 1.164 20 5 DDBDRO Cc1cc(OCC(=O)N2CC[NH2+][C@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000598572026 357636988 /nfs/dbraw/zinc/63/69/88/357636988.db2.gz KEZONAJSWUEUTH-AWEZNQCLSA-N 1 0 321.377 1.738 20 5 DDBDRO Cc1ccc(S(=O)(=O)N[C@]2(C)CC[NH2+]C2)c(C)c1[N+](=O)[O-] ZINC000598719074 357702234 /nfs/dbraw/zinc/70/22/34/357702234.db2.gz FWNMFCLXEIJHEN-CYBMUJFWSA-N 1 0 313.379 1.242 20 5 DDBDRO CNC(=O)[C@@H]1CN(c2ccc3cnccc3c2[N+](=O)[O-])CCO1 ZINC000599064496 357805769 /nfs/dbraw/zinc/80/57/69/357805769.db2.gz BPLNXKMQFGBBSM-ZDUSSCGKSA-N 1 0 316.317 1.094 20 5 DDBDRO O=[N+]([O-])c1c2ccncc2ccc1N1CC[C@@H](CO)[C@H](O)C1 ZINC000599078642 357808896 /nfs/dbraw/zinc/80/88/96/357808896.db2.gz JCQDEAYYHPCCJC-SMDDNHRTSA-N 1 0 303.318 1.323 20 5 DDBDRO CCN(CC[NH3+])S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000599098321 357815349 /nfs/dbraw/zinc/81/53/49/357815349.db2.gz IPAJSPINKVSQTC-UHFFFAOYSA-N 1 0 301.368 1.181 20 5 DDBDRO O=[N+]([O-])c1ccc(NCC[N@H+]2CC[C@@H](O)C2)c2ccncc21 ZINC000599176769 357840469 /nfs/dbraw/zinc/84/04/69/357840469.db2.gz XHTKEPVHVQVZMA-LLVKDONJSA-N 1 0 302.334 1.622 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)nccc2NCC[N@H+]1CC[C@H](O)C1 ZINC000599198978 357847380 /nfs/dbraw/zinc/84/73/80/357847380.db2.gz DKHCPAFPIRQXNH-LBPRGKRZSA-N 1 0 302.334 1.622 20 5 DDBDRO C[C@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000179863063 199089383 /nfs/dbraw/zinc/08/93/83/199089383.db2.gz NHURVNNSUMGQCF-LBPRGKRZSA-N 1 0 321.377 1.962 20 5 DDBDRO O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)Nc1ccncc1[N+](=O)[O-] ZINC000599766048 358053021 /nfs/dbraw/zinc/05/30/21/358053021.db2.gz IJLOXWIFIPVZJX-GFCCVEGCSA-N 1 0 319.365 1.550 20 5 DDBDRO Cc1ccc(NC(=O)C(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)cc1[N+](=O)[O-] ZINC000599895461 358076868 /nfs/dbraw/zinc/07/68/68/358076868.db2.gz FYAMGLAIZOJSHB-ZYHUDNBSSA-N 1 0 320.349 1.098 20 5 DDBDRO CC(C)[C@@H]1C[NH2+]CCN1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000599906354 358077865 /nfs/dbraw/zinc/07/78/65/358077865.db2.gz CPOKLJIGXLRUFM-HNNXBMFYSA-N 1 0 320.393 1.777 20 5 DDBDRO CCCNC(=O)NC(=O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180400651 199154787 /nfs/dbraw/zinc/15/47/87/199154787.db2.gz BODOTHRSQCSWBA-SNVBAGLBSA-N 1 0 308.338 1.481 20 5 DDBDRO C[NH2+]CCN(C)C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000237333650 202234492 /nfs/dbraw/zinc/23/44/92/202234492.db2.gz PIFDXYVHCFXMOV-UHFFFAOYSA-N 1 0 316.155 1.649 20 5 DDBDRO C[NH2+]CCN(C)C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000237334967 202234851 /nfs/dbraw/zinc/23/48/51/202234851.db2.gz KLPZNYLMTCOOKI-UHFFFAOYSA-N 1 0 316.155 1.649 20 5 DDBDRO Nc1c(C(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)cccc1[N+](=O)[O-] ZINC000600474577 358234929 /nfs/dbraw/zinc/23/49/29/358234929.db2.gz YZZPAVIUFPFLPJ-GFCCVEGCSA-N 1 0 318.377 1.924 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[NH2+]C[C@@H]1C(C)C ZINC000600714417 358291801 /nfs/dbraw/zinc/29/18/01/358291801.db2.gz LWDNDLAVQSWZOH-CQSZACIVSA-N 1 0 320.393 1.772 20 5 DDBDRO O=C(CC[NH2+]C[C@H](O)[C@H]1CCCO1)Nc1ccccc1[N+](=O)[O-] ZINC000600760325 358310247 /nfs/dbraw/zinc/31/02/47/358310247.db2.gz UZDHKYIJIOMVLI-UONOGXRCSA-N 1 0 323.349 1.053 20 5 DDBDRO O=[N+]([O-])c1ccc(CCO)c(-c2cnn(C3CC[NH2+]CC3)c2)c1 ZINC000600791737 358315382 /nfs/dbraw/zinc/31/53/82/358315382.db2.gz GIGASXFJIFBVLE-UHFFFAOYSA-N 1 0 316.361 1.918 20 5 DDBDRO C[NH2+]C1(CNC(=O)COc2ccc([N+](=O)[O-])c(C)c2)CCC1 ZINC000600826574 358327634 /nfs/dbraw/zinc/32/76/34/358327634.db2.gz OHQYZZNHGLBRKO-UHFFFAOYSA-N 1 0 307.350 1.540 20 5 DDBDRO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000601558036 358600665 /nfs/dbraw/zinc/60/06/65/358600665.db2.gz QHBQZTHHBLDCBL-YGRLFVJLSA-N 1 0 307.325 1.948 20 5 DDBDRO CC(C)[N@H+](C)CC(=O)N[C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000601776271 358690565 /nfs/dbraw/zinc/69/05/65/358690565.db2.gz IGBIWJSGGJZNGJ-HNNXBMFYSA-N 1 0 309.366 1.259 20 5 DDBDRO C[C@@H]1C[C@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@@H](C)O1 ZINC000601967090 358756795 /nfs/dbraw/zinc/75/67/95/358756795.db2.gz FHUJUAFUCPGTPP-NDBYEHHHSA-N 1 0 310.350 1.490 20 5 DDBDRO C[N@@H+]1CC[C@@H](CC(=O)NCCNc2ccccc2[N+](=O)[O-])C1 ZINC000602045169 358789405 /nfs/dbraw/zinc/78/94/05/358789405.db2.gz KYOVQFFXBJXILI-LBPRGKRZSA-N 1 0 306.366 1.465 20 5 DDBDRO CC(C)[C@H]1C[NH2+]CCN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000602526209 359026427 /nfs/dbraw/zinc/02/64/27/359026427.db2.gz DYIZIPKLTVSNKA-CYBMUJFWSA-N 1 0 307.350 1.430 20 5 DDBDRO CC(C)[C@H]1C[NH2+]CCN1C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000602532575 359030861 /nfs/dbraw/zinc/03/08/61/359030861.db2.gz YNMNHKYPHPWVJN-OAHLLOKOSA-N 1 0 320.393 1.487 20 5 DDBDRO O=C(CCC1C[NH2+]C1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000602471741 359000796 /nfs/dbraw/zinc/00/07/96/359000796.db2.gz HJWAABKMRBMNQC-UHFFFAOYSA-N 1 0 318.377 1.243 20 5 DDBDRO CCOC(=O)CCC1CC[NH+](Cc2cn(C)nc2[N+](=O)[O-])CC1 ZINC000602481487 359007413 /nfs/dbraw/zinc/00/74/13/359007413.db2.gz LDTUDIXQLRNZAQ-UHFFFAOYSA-N 1 0 324.381 1.884 20 5 DDBDRO CC[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[C@H](C)O ZINC000602680453 359121554 /nfs/dbraw/zinc/12/15/54/359121554.db2.gz GBMSGRRKUPVNNL-FZMZJTMJSA-N 1 0 308.382 1.708 20 5 DDBDRO C[N@@H+]1C[C@H]2CCN(Cc3nc4cc([N+](=O)[O-])ccc4o3)[C@@H]2C1 ZINC000602673584 359118588 /nfs/dbraw/zinc/11/85/88/359118588.db2.gz WAVQSHPJGFRCTJ-ZWNOBZJWSA-N 1 0 302.334 1.872 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000602578558 359053190 /nfs/dbraw/zinc/05/31/90/359053190.db2.gz NURCDKGTWVFUON-LLVKDONJSA-N 1 0 307.350 1.947 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000602775667 359182483 /nfs/dbraw/zinc/18/24/83/359182483.db2.gz MAFJAVFFTSAAQN-MWLCHTKSSA-N 1 0 322.287 1.487 20 5 DDBDRO CC[NH+](CC)C[C@H]1CCN(CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602780038 359186152 /nfs/dbraw/zinc/18/61/52/359186152.db2.gz DPGMRZLHPXVURH-CQSZACIVSA-N 1 0 309.414 1.763 20 5 DDBDRO CCOCCO[C@H]1CC[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602800424 359200239 /nfs/dbraw/zinc/20/02/39/359200239.db2.gz MNAIXOODUKTZKJ-ZDUSSCGKSA-N 1 0 312.370 1.227 20 5 DDBDRO Cn1ccc(C[NH2+][C@@](C)(CO)c2cccc([N+](=O)[O-])c2)cc1=O ZINC000602965892 359329084 /nfs/dbraw/zinc/32/90/84/359329084.db2.gz QNZAWWOXFPMRTQ-INIZCTEOSA-N 1 0 317.345 1.291 20 5 DDBDRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000186663219 199988252 /nfs/dbraw/zinc/98/82/52/199988252.db2.gz FFYKKAXWWXMLKD-NWDGAFQWSA-N 1 0 307.350 1.478 20 5 DDBDRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000186766430 200006105 /nfs/dbraw/zinc/00/61/05/200006105.db2.gz HFBXFUUYFWPKBJ-QPUJVOFHSA-N 1 0 303.322 1.199 20 5 DDBDRO CN(CC1([NH+](C)C)CCC1)C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000186990118 200044662 /nfs/dbraw/zinc/04/46/62/200044662.db2.gz CBBMFRXBEVUSJP-UHFFFAOYSA-N 1 0 309.370 1.124 20 5 DDBDRO O=[N+]([O-])c1cc2c(nc1NC[C@@H]1CSCC[NH2+]1)CCCC2 ZINC000603417795 359627234 /nfs/dbraw/zinc/62/72/34/359627234.db2.gz BJSRBBZEKVUEEU-LLVKDONJSA-N 1 0 308.407 1.986 20 5 DDBDRO C[N@@H+]1CCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000603433130 359637313 /nfs/dbraw/zinc/63/73/13/359637313.db2.gz VWTFJGPNLIXDFG-UHFFFAOYSA-N 1 0 320.393 1.873 20 5 DDBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000187091458 200060481 /nfs/dbraw/zinc/06/04/81/200060481.db2.gz DXCIILOFYYGNSQ-GFCCVEGCSA-N 1 0 322.365 1.690 20 5 DDBDRO COCC(=O)NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000603681982 359671675 /nfs/dbraw/zinc/67/16/75/359671675.db2.gz RIWBPGDVKAHWNJ-UHFFFAOYSA-N 1 0 307.350 1.322 20 5 DDBDRO Cc1c(C(=O)Nc2cnn(CC[NH+](C)C)c2)cccc1[N+](=O)[O-] ZINC000604511314 359759267 /nfs/dbraw/zinc/75/92/67/359759267.db2.gz UYDIEJUXMJKNRD-UHFFFAOYSA-N 1 0 317.349 1.914 20 5 DDBDRO C[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)C[NH2+]1 ZINC000237612153 202304880 /nfs/dbraw/zinc/30/48/80/202304880.db2.gz GNCJUCVYANRARE-UWVGGRQHSA-N 1 0 311.769 2.000 20 5 DDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCCn2cncn2)n1 ZINC000618572597 363678391 /nfs/dbraw/zinc/67/83/91/363678391.db2.gz AYJOLHBQMACQNB-QWHCGFSZSA-N 1 0 319.369 1.546 20 5 DDBDRO [NH3+]C[C@H](NC(=O)COc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000237870872 202375919 /nfs/dbraw/zinc/37/59/19/202375919.db2.gz AGYVANIYANANHX-HNNXBMFYSA-N 1 0 321.377 1.997 20 5 DDBDRO Nc1ccc(C(=O)N2CCC([NH2+]CC3CC3)CC2)cc1[N+](=O)[O-] ZINC000237878941 202377514 /nfs/dbraw/zinc/37/75/14/202377514.db2.gz HHTLOWLNATXWAH-UHFFFAOYSA-N 1 0 318.377 1.781 20 5 DDBDRO [NH3+][C@@H]1CCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000237930804 202395549 /nfs/dbraw/zinc/39/55/49/202395549.db2.gz YIJOVMHVIHRKEM-SNVBAGLBSA-N 1 0 318.358 1.892 20 5 DDBDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])C1 ZINC000272185220 209562500 /nfs/dbraw/zinc/56/25/00/209562500.db2.gz DOKDQONNFNDELJ-NWDGAFQWSA-N 1 0 306.366 1.227 20 5 DDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)c1cn(C2CC[NH2+]CC2)nn1 ZINC000237907483 202387312 /nfs/dbraw/zinc/38/73/12/202387312.db2.gz MAUVKLVFKJOMQJ-UHFFFAOYSA-N 1 0 316.321 1.363 20 5 DDBDRO [NH3+]CC1(NC(=O)CCNc2ccccc2[N+](=O)[O-])CCCC1 ZINC000238012694 202417318 /nfs/dbraw/zinc/41/73/18/202417318.db2.gz YWFZUPAXWTWQIX-UHFFFAOYSA-N 1 0 306.366 1.785 20 5 DDBDRO COc1cc(C[NH2+]C[C@H]2CC[C@H](O)C2)c([N+](=O)[O-])cc1OC ZINC000188836578 200309759 /nfs/dbraw/zinc/30/97/59/200309759.db2.gz IZJOCZYUPDMLSO-JQWIXIFHSA-N 1 0 310.350 1.863 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NCC[N@@H+]1CCCOCC1 ZINC000188838523 200310968 /nfs/dbraw/zinc/31/09/68/200310968.db2.gz ZFQZWJRXUNHARZ-UHFFFAOYSA-N 1 0 322.365 1.747 20 5 DDBDRO COCC[N@@H+]1CCC[C@H](NC(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000609269456 360285175 /nfs/dbraw/zinc/28/51/75/360285175.db2.gz QZNBVVCFFCBFAW-NSHDSACASA-N 1 0 313.379 1.497 20 5 DDBDRO COCC[N@@H+]1CCC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000609269443 360285283 /nfs/dbraw/zinc/28/52/83/360285283.db2.gz QPVCPWUCNSVRDW-CYBMUJFWSA-N 1 0 307.350 1.435 20 5 DDBDRO C[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C(C)(C)CO ZINC000609894842 360362773 /nfs/dbraw/zinc/36/27/73/360362773.db2.gz DPHHJHDRWCLUAX-UHFFFAOYSA-N 1 0 307.350 1.187 20 5 DDBDRO Cc1ccc(NCCCNC(=O)[C@@H]2CC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC000610069332 360378292 /nfs/dbraw/zinc/37/82/92/360378292.db2.gz LOVBDWGOQAHPGN-CYBMUJFWSA-N 1 0 320.393 1.773 20 5 DDBDRO CC[C@H](O)C[NH+]1CCN(c2cc(OC)ccc2[N+](=O)[O-])CC1 ZINC000610278655 360406392 /nfs/dbraw/zinc/40/63/92/360406392.db2.gz ZIQYPKNFEAWEFX-LBPRGKRZSA-N 1 0 309.366 1.496 20 5 DDBDRO Cc1cc(N2CCC[N@H+](C[C@H]3CCCO3)CC2)ncc1[N+](=O)[O-] ZINC000610489196 360449876 /nfs/dbraw/zinc/44/98/76/360449876.db2.gz LSBXRSSWQOHHQG-CQSZACIVSA-N 1 0 320.393 1.989 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)c1[N+](=O)[O-] ZINC000610922439 360572710 /nfs/dbraw/zinc/57/27/10/360572710.db2.gz BALPZUZKTOJCGC-LLVKDONJSA-N 1 0 321.381 1.655 20 5 DDBDRO C[NH+](C)C1CCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000611257172 360681220 /nfs/dbraw/zinc/68/12/20/360681220.db2.gz QZLQANXEGBHRET-UHFFFAOYSA-N 1 0 321.377 1.892 20 5 DDBDRO CN(CCCC[NH+](C)C)C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000611514151 360743065 /nfs/dbraw/zinc/74/30/65/360743065.db2.gz RQEMBAZMNPYXRG-UHFFFAOYSA-N 1 0 323.349 1.737 20 5 DDBDRO C[C@@H](O)[C@@H]1CC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611561471 360759766 /nfs/dbraw/zinc/75/97/66/360759766.db2.gz JKYVDYALLWVJPW-GHMZBOCLSA-N 1 0 308.334 1.569 20 5 DDBDRO O=[N+]([O-])c1ccc2oc(CN3CCSC[C@H]3CO)nc2c1 ZINC000612114419 360923715 /nfs/dbraw/zinc/92/37/15/360923715.db2.gz FLCFJRAKJYFGRP-SNVBAGLBSA-N 1 0 309.347 1.646 20 5 DDBDRO O=[N+]([O-])c1cnc(N2CCC[N@H+](C[C@H]3CCCO3)CC2)nc1 ZINC000612778499 361142820 /nfs/dbraw/zinc/14/28/20/361142820.db2.gz LVZLZLUYQLTMEU-CYBMUJFWSA-N 1 0 307.354 1.076 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(NCCC[NH+]2CCC(O)CC2)c1 ZINC000292772757 223239160 /nfs/dbraw/zinc/23/91/60/223239160.db2.gz LZRVJRPEZSFYPW-UHFFFAOYSA-N 1 0 309.366 1.862 20 5 DDBDRO [NH3+]C1(CO)CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000613083815 361262632 /nfs/dbraw/zinc/26/26/32/361262632.db2.gz QYDCDENDCOMXMO-UHFFFAOYSA-N 1 0 312.301 1.051 20 5 DDBDRO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000193492211 201062288 /nfs/dbraw/zinc/06/22/88/201062288.db2.gz BNHFNHXHMIKUBQ-NEPJUHHUSA-N 1 0 307.350 1.620 20 5 DDBDRO COCC[N@@H+]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2[O-])C1 ZINC000613938168 361636390 /nfs/dbraw/zinc/63/63/90/361636390.db2.gz QHVUZRSLZZKFAB-NSHDSACASA-N 1 0 323.349 1.141 20 5 DDBDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000194908248 201309612 /nfs/dbraw/zinc/30/96/12/201309612.db2.gz BPQHJBKYXMEZLJ-LBPRGKRZSA-N 1 0 309.370 1.028 20 5 DDBDRO CSc1ccc(C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)cc1[N+](=O)[O-] ZINC000195252359 201365471 /nfs/dbraw/zinc/36/54/71/201365471.db2.gz SLVJHRRSGJZFOC-PHIMTYICSA-N 1 0 307.375 1.608 20 5 DDBDRO Cc1cc(OCC(=O)N[C@@H]2CCC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000619536090 364051357 /nfs/dbraw/zinc/05/13/57/364051357.db2.gz IQOMHTJAJVKRLU-GFCCVEGCSA-N 1 0 307.350 1.492 20 5 DDBDRO O=C(CCn1cc([N+](=O)[O-])cn1)Nc1ccc2c(c1)C[NH2+]C2 ZINC000566102765 304117359 /nfs/dbraw/zinc/11/73/59/304117359.db2.gz ORXZSYLSFXOKGE-UHFFFAOYSA-N 1 0 301.306 1.423 20 5 DDBDRO COCC1(C(=O)N(C)Cc2ccccc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000261923132 203154195 /nfs/dbraw/zinc/15/41/95/203154195.db2.gz RVSOPUZEBJXDJL-UHFFFAOYSA-N 1 0 321.377 1.569 20 5 DDBDRO CC(C)(C[NH3+])NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000262519118 203316559 /nfs/dbraw/zinc/31/65/59/203316559.db2.gz VJFIHQSESWRVND-UHFFFAOYSA-N 1 0 316.155 1.824 20 5 DDBDRO Cc1nn(CCC(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)c(C)c1[N+](=O)[O-] ZINC000262569171 203333018 /nfs/dbraw/zinc/33/30/18/203333018.db2.gz FZJVGLAQPUGZEM-MFKMUULPSA-N 1 0 323.397 1.384 20 5 DDBDRO CN1CC[N@H+](C)C[C@@H]1CNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000264821343 204182940 /nfs/dbraw/zinc/18/29/40/204182940.db2.gz XUCLYZWBXHSKLE-LBPRGKRZSA-N 1 0 315.377 1.801 20 5 DDBDRO C[C@H]1CN(S(=O)(=O)c2ccccc2[N+](=O)[O-])[C@@H](C)CN1C ZINC000350871360 284274603 /nfs/dbraw/zinc/27/46/03/284274603.db2.gz QAUNEPJNGGYQFU-QWRGUYRKSA-N 1 0 313.379 1.308 20 5 DDBDRO COc1cc(C(=O)NC2CC[NH+](C)CC2)cc([N+](=O)[O-])c1OC ZINC000266079121 205079724 /nfs/dbraw/zinc/07/97/24/205079724.db2.gz FEVMSMDXTAVFLP-UHFFFAOYSA-N 1 0 323.349 1.436 20 5 DDBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000266210213 205184430 /nfs/dbraw/zinc/18/44/30/205184430.db2.gz XSVFDSGCWVYEHG-LBPRGKRZSA-N 1 0 309.370 1.124 20 5 DDBDRO CCN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2OC)[C@H](C)C1 ZINC000288403708 220135915 /nfs/dbraw/zinc/13/59/15/220135915.db2.gz LHQIHRJATASARS-LLVKDONJSA-N 1 0 307.350 1.770 20 5 DDBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000266418134 205331566 /nfs/dbraw/zinc/33/15/66/205331566.db2.gz PDQDLBBEIAIUMO-AWEZNQCLSA-N 1 0 305.378 1.938 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c1 ZINC000282941041 217340467 /nfs/dbraw/zinc/34/04/67/217340467.db2.gz ZVKZATMVDHPORN-TXEJJXNPSA-N 1 0 319.361 1.627 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccc(C[NH3+])cc1 ZINC000131334103 248286357 /nfs/dbraw/zinc/28/63/57/248286357.db2.gz SIJWMMIVFZWNGT-UHFFFAOYSA-N 1 0 303.322 1.587 20 5 DDBDRO [NH3+]C[C@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CCCO1 ZINC000313341782 248840511 /nfs/dbraw/zinc/84/05/11/248840511.db2.gz BBPCNWMYWPUWPB-LBPRGKRZSA-N 1 0 313.741 1.438 20 5 DDBDRO CC(C)(CCC[NH3+])NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000336850727 249257319 /nfs/dbraw/zinc/25/73/19/249257319.db2.gz YRLOPKJUHNGYBN-UHFFFAOYSA-N 1 0 315.395 1.532 20 5 DDBDRO C[C@H](CC[NH+](C)C)NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000360652871 306986055 /nfs/dbraw/zinc/98/60/55/306986055.db2.gz NCBIMRUUGRFUIE-MRVPVSSYSA-N 1 0 307.397 1.275 20 5 DDBDRO C[C@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCOC1 ZINC000274117920 211370782 /nfs/dbraw/zinc/37/07/82/211370782.db2.gz WPBHUJDBUXUFCO-NWDGAFQWSA-N 1 0 307.350 1.572 20 5 DDBDRO C[N@@H+]1CC[C@H]2OCCN(CCOc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000284481179 218045098 /nfs/dbraw/zinc/04/50/98/218045098.db2.gz AWCVUDAWKDAUMK-GDBMZVCRSA-N 1 0 321.377 1.379 20 5 DDBDRO CC(=O)c1ccc(NCC2CC[NH+](CCO)CC2)c([N+](=O)[O-])c1 ZINC000105791606 194129035 /nfs/dbraw/zinc/12/90/35/194129035.db2.gz QQRSYQZUZSVWHK-UHFFFAOYSA-N 1 0 321.377 1.914 20 5 DDBDRO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCC([NH+]2CCCCC2)CC1 ZINC000285129697 218300892 /nfs/dbraw/zinc/30/08/92/218300892.db2.gz PUMIPBCHNWIASL-UHFFFAOYSA-N 1 0 307.354 1.408 20 5 DDBDRO CN(CC[N@H+](C)C1CCCCC1)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000285113222 218295238 /nfs/dbraw/zinc/29/52/38/218295238.db2.gz MBYFAJZNJKEWSC-UHFFFAOYSA-N 1 0 309.370 1.654 20 5 DDBDRO CC[N@@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2OC)C1 ZINC000058925582 184131566 /nfs/dbraw/zinc/13/15/66/184131566.db2.gz QCZHVDCRFWLFDL-NSHDSACASA-N 1 0 307.350 1.675 20 5 DDBDRO C[C@H](NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[C@H]1CCC[NH2+]C1 ZINC000269159268 207283428 /nfs/dbraw/zinc/28/34/28/207283428.db2.gz APJHZENUJBSFQX-UWVGGRQHSA-N 1 0 317.349 1.589 20 5 DDBDRO C[C@@H](NC(=O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000269168427 207291581 /nfs/dbraw/zinc/29/15/81/207291581.db2.gz DQEFHXHTDCDUPD-VXGBXAGGSA-N 1 0 307.350 1.478 20 5 DDBDRO Cc1cccc(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)n1 ZINC000567679079 304233876 /nfs/dbraw/zinc/23/38/76/304233876.db2.gz KBFUREYKKQWYNQ-OAHLLOKOSA-N 1 0 317.345 1.828 20 5 DDBDRO CC[C@H](NC(=O)C[C@H]1C[NH2+]CCO1)c1cccc([N+](=O)[O-])c1 ZINC000269248338 207384963 /nfs/dbraw/zinc/38/49/63/207384963.db2.gz QZKVRLGGFXEOGG-KBPBESRZSA-N 1 0 307.350 1.541 20 5 DDBDRO Cc1ccc([C@H](C)NC(=O)C[C@@H]2C[NH2+]CCO2)cc1[N+](=O)[O-] ZINC000269250695 207388300 /nfs/dbraw/zinc/38/83/00/207388300.db2.gz SMCWCTQMLHOZCK-WCQYABFASA-N 1 0 307.350 1.459 20 5 DDBDRO COC(=O)[C@H]1CN(c2ccc([N+](=O)[O-])c(OC)c2)CC[N@H+](C)C1 ZINC000413503516 533010013 /nfs/dbraw/zinc/01/00/13/533010013.db2.gz SJFOYMIULPJFII-LLVKDONJSA-N 1 0 323.349 1.144 20 5 DDBDRO C[NH2+][C@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)C1 ZINC000440738115 533040102 /nfs/dbraw/zinc/04/01/02/533040102.db2.gz MQLRGYRKMAEYNH-NSHDSACASA-N 1 0 313.379 1.194 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1N(CC[NH+](C)C)Cc1ccsc1 ZINC000413464346 224200588 /nfs/dbraw/zinc/20/05/88/224200588.db2.gz ZNWVMNKMEKDMGG-UHFFFAOYSA-N 1 0 309.395 1.958 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000414662109 533226416 /nfs/dbraw/zinc/22/64/16/533226416.db2.gz YNPNYLXYIGOTTJ-GXSJLCMTSA-N 1 0 308.338 1.804 20 5 DDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC([NH+](C)C)CC1 ZINC000127894112 195919531 /nfs/dbraw/zinc/91/95/31/195919531.db2.gz GOTPFNYCYAEOED-GFCCVEGCSA-N 1 0 320.393 1.948 20 5 DDBDRO COc1cc(C(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000435246313 533512813 /nfs/dbraw/zinc/51/28/13/533512813.db2.gz GGJMVUKEZGKCLF-GFCCVEGCSA-N 1 0 305.334 1.570 20 5 DDBDRO COc1ccc(CNC(=O)NC(C)(C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000457919368 533606225 /nfs/dbraw/zinc/60/62/25/533606225.db2.gz IGNRHVLFEMSYQZ-UHFFFAOYSA-N 1 0 324.381 1.743 20 5 DDBDRO COc1ccc(CNC(=O)N[C@H]2CC[NH2+][C@@H](C)C2)cc1[N+](=O)[O-] ZINC000417204036 533633482 /nfs/dbraw/zinc/63/34/82/533633482.db2.gz ZOJKDNHGTDFIGO-JQWIXIFHSA-N 1 0 322.365 1.543 20 5 DDBDRO Cc1n[nH]c(C(=O)NCCC[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000330612960 533665326 /nfs/dbraw/zinc/66/53/26/533665326.db2.gz YIOAJEPQUFQJAE-UHFFFAOYSA-N 1 0 309.370 1.478 20 5 DDBDRO CCCC[C@H](C[NH3+])NC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000568746181 304309266 /nfs/dbraw/zinc/30/92/66/304309266.db2.gz IGADQVJHBDFTAV-GFCCVEGCSA-N 1 0 309.366 1.780 20 5 DDBDRO CO[C@H](C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000569095884 304336665 /nfs/dbraw/zinc/33/66/65/304336665.db2.gz MXNLOCUKGKKEPD-CQSZACIVSA-N 1 0 307.350 1.938 20 5 DDBDRO CC[N@H+](C)C[C@H]1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000072860139 406886200 /nfs/dbraw/zinc/88/62/00/406886200.db2.gz WSLXWTJMPNKUCC-CYBMUJFWSA-N 1 0 320.393 1.807 20 5 DDBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000038083108 406999563 /nfs/dbraw/zinc/99/95/63/406999563.db2.gz PDSYHIRHRBFOFO-RYUDHWBXSA-N 1 0 312.391 1.989 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000094340923 407203729 /nfs/dbraw/zinc/20/37/29/407203729.db2.gz CGLYLLHHZUHSHV-PWSUYJOCSA-N 1 0 313.379 1.261 20 5 DDBDRO CC[NH+](CC)[C@@H](C)CNS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000066000307 407247437 /nfs/dbraw/zinc/24/74/37/407247437.db2.gz BQRWTCHLQLFSNP-VIFPVBQESA-N 1 0 321.424 1.665 20 5 DDBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000102486956 407323406 /nfs/dbraw/zinc/32/34/06/407323406.db2.gz WQHLALCCZDXHMF-LLVKDONJSA-N 1 0 309.370 1.127 20 5 DDBDRO C[NH+]1CCC(CNC(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000101522481 407309908 /nfs/dbraw/zinc/30/99/08/407309908.db2.gz VFHDRFYGNOTPCY-UHFFFAOYSA-N 1 0 306.366 1.465 20 5 DDBDRO CC[C@@H](C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)[NH+](C)C ZINC000124496139 407360070 /nfs/dbraw/zinc/36/00/70/407360070.db2.gz DZZHPKMPXJAVST-ZDUSSCGKSA-N 1 0 320.393 1.584 20 5 DDBDRO CC[N@@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000107892727 407381299 /nfs/dbraw/zinc/38/12/99/407381299.db2.gz YNNJVWSYAYKFJO-SNVBAGLBSA-N 1 0 322.321 1.575 20 5 DDBDRO CCC(=O)N1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000125589329 407392440 /nfs/dbraw/zinc/39/24/40/407392440.db2.gz SJRCFKKKLDOXSP-UHFFFAOYSA-N 1 0 321.377 1.918 20 5 DDBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1c([N+](=O)[O-])cnn1C ZINC000126046453 407403599 /nfs/dbraw/zinc/40/35/99/407403599.db2.gz HQQZVEAASMQWCZ-MNOVXSKESA-N 1 0 307.354 1.027 20 5 DDBDRO C[C@H](C[S@](C)=O)[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000126469145 407413682 /nfs/dbraw/zinc/41/36/82/407413682.db2.gz LLGLWCJQYKMWLV-BIBXISHDSA-N 1 0 300.380 1.672 20 5 DDBDRO CSCC[C@@H]([NH3+])C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000151686901 407477580 /nfs/dbraw/zinc/47/75/80/407477580.db2.gz VCCSVNJUWGZUMJ-GFCCVEGCSA-N 1 0 312.395 1.203 20 5 DDBDRO CC[C@@H]1C[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@@H]1O ZINC000270968062 407443907 /nfs/dbraw/zinc/44/39/07/407443907.db2.gz VTOGBQOVBXQCDG-DOMZBBRYSA-N 1 0 321.377 1.935 20 5 DDBDRO C[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)CC1(O)CCCC1 ZINC000152180022 407579288 /nfs/dbraw/zinc/57/92/88/407579288.db2.gz YOVHCXMAXUXUHX-CQSZACIVSA-N 1 0 324.377 1.571 20 5 DDBDRO CC[N@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])CC(C)(C)O ZINC000114487147 407582687 /nfs/dbraw/zinc/58/26/87/407582687.db2.gz KJKZDTMOTVMLNB-UHFFFAOYSA-N 1 0 309.366 1.935 20 5 DDBDRO C[C@@H]1CCN(C(=O)COc2ccccc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000261702213 407584547 /nfs/dbraw/zinc/58/45/47/407584547.db2.gz FPWRZPTWNBHCQE-VXGBXAGGSA-N 1 0 307.350 1.559 20 5 DDBDRO COCC1=CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000185815515 407511174 /nfs/dbraw/zinc/51/11/74/407511174.db2.gz SVAPUADVUQQFDB-AWEZNQCLSA-N 1 0 322.361 1.613 20 5 DDBDRO COc1cc(C(=O)NC2CC[NH2+]CC2)c([N+](=O)[O-])cc1OC ZINC000261600047 407548177 /nfs/dbraw/zinc/54/81/77/407548177.db2.gz BIXNNXBKEASGKU-UHFFFAOYSA-N 1 0 309.322 1.094 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[NH2+]C[C@H]1C ZINC000261774856 407609525 /nfs/dbraw/zinc/60/95/25/407609525.db2.gz NAKUSCFVIZMQPY-GFCCVEGCSA-N 1 0 306.366 1.526 20 5 DDBDRO COCCC[N@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000152331060 407614147 /nfs/dbraw/zinc/61/41/47/407614147.db2.gz CABKFYHKLUYYPD-UHFFFAOYSA-N 1 0 313.329 1.432 20 5 DDBDRO CC[C@H]1C[N@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C[C@H]1O ZINC000271347252 407646316 /nfs/dbraw/zinc/64/63/16/407646316.db2.gz PGOWBHLFANAJPY-GXFFZTMASA-N 1 0 310.350 1.815 20 5 DDBDRO COC[C@]1(CNC(=O)c2ccc(OC)c([N+](=O)[O-])c2)CCC[NH2+]1 ZINC000261888524 407658102 /nfs/dbraw/zinc/65/81/02/407658102.db2.gz NJPWKAYDVGXHHS-OAHLLOKOSA-N 1 0 323.349 1.102 20 5 DDBDRO CC[N@@H+]1CCC[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000152821604 407698429 /nfs/dbraw/zinc/69/84/29/407698429.db2.gz XVMUNMUJUVJSFZ-GFCCVEGCSA-N 1 0 309.341 1.877 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+]C1(CO)CCCC1 ZINC000179060469 407707710 /nfs/dbraw/zinc/70/77/10/407707710.db2.gz PNNGCFCRCDQLNC-UHFFFAOYSA-N 1 0 307.350 1.736 20 5 DDBDRO CC[NH+](CC)[C@@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])CC(C)C ZINC000152903839 407712596 /nfs/dbraw/zinc/71/25/96/407712596.db2.gz IMUCKVAKTAKJPA-LLVKDONJSA-N 1 0 311.386 1.804 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000235365552 407720207 /nfs/dbraw/zinc/72/02/07/407720207.db2.gz BYYPVWYBTPZERW-GHMZBOCLSA-N 1 0 313.379 1.322 20 5 DDBDRO Cc1n[nH]c(C(=O)N2CC[N@@H+](C)CC23CCCCC3)c1[N+](=O)[O-] ZINC000267062575 407732834 /nfs/dbraw/zinc/73/28/34/407732834.db2.gz AEQCCZJJUYNBGQ-UHFFFAOYSA-N 1 0 321.381 1.717 20 5 DDBDRO CCOc1cc(C(=O)NC2CC[NH2+]CC2)c([N+](=O)[O-])cc1OC ZINC000262242362 407772640 /nfs/dbraw/zinc/77/26/40/407772640.db2.gz QQZPUMCSYIHLFW-UHFFFAOYSA-N 1 0 323.349 1.484 20 5 DDBDRO C[N@H+](CCNC(=O)c1[nH]ncc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000132349127 407781428 /nfs/dbraw/zinc/78/14/28/407781428.db2.gz LCXCWUCRSYDNKO-UHFFFAOYSA-N 1 0 321.312 1.319 20 5 DDBDRO CC[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000182318356 306703740 /nfs/dbraw/zinc/70/37/40/306703740.db2.gz VCAWSZZXMRKBRZ-TZMCWYRMSA-N 1 0 307.350 1.741 20 5 DDBDRO CS(=O)(=O)NCCN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153253355 407786459 /nfs/dbraw/zinc/78/64/59/407786459.db2.gz CPVUFEAFGCKXFP-UHFFFAOYSA-N 1 0 313.379 1.108 20 5 DDBDRO COc1ccc(C(=O)N(C)[C@H]2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000262526147 407855800 /nfs/dbraw/zinc/85/58/00/407855800.db2.gz OWAZJKKXAIPTRK-LBPRGKRZSA-N 1 0 307.350 1.818 20 5 DDBDRO O=C(CN1CC[C@@H]2C[NH2+]C[C@@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000262577565 407871410 /nfs/dbraw/zinc/87/14/10/407871410.db2.gz YLAVKEZZWSJXDF-VXGBXAGGSA-N 1 0 304.350 1.075 20 5 DDBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)[C@@H]1C[NH2+]CCO1 ZINC000238021704 407872685 /nfs/dbraw/zinc/87/26/85/407872685.db2.gz ZGOKFYVBSMNMSI-AWEZNQCLSA-N 1 0 307.350 1.022 20 5 DDBDRO O=C(CCNc1ccccc1[N+](=O)[O-])NC[C@@H]1CCCC[NH2+]1 ZINC000238054629 407878134 /nfs/dbraw/zinc/87/81/34/407878134.db2.gz QQKUENAPYWOHIH-LBPRGKRZSA-N 1 0 306.366 1.655 20 5 DDBDRO C[C@H](CN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000272497365 407951053 /nfs/dbraw/zinc/95/10/53/407951053.db2.gz GCIVIFJGOIUMCO-IUODEOHRSA-N 1 0 317.393 1.957 20 5 DDBDRO C[C@H](NC(=O)c1c(N)cccc1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000180810791 407919936 /nfs/dbraw/zinc/91/99/36/407919936.db2.gz UYELQKRZAARIAG-JTQLQIEISA-N 1 0 308.382 1.883 20 5 DDBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000268158901 407921432 /nfs/dbraw/zinc/92/14/32/407921432.db2.gz HNJFNEJZLORCAO-PELKAZGASA-N 1 0 322.340 1.529 20 5 DDBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000268162288 407924332 /nfs/dbraw/zinc/92/43/32/407924332.db2.gz CZEFGTNBLRUUKA-SMDDNHRTSA-N 1 0 303.362 1.736 20 5 DDBDRO C[C@]1(CNC(=O)CCNc2ccccc2[N+](=O)[O-])CCC[NH2+]C1 ZINC000273034243 408026882 /nfs/dbraw/zinc/02/68/82/408026882.db2.gz SUAIVXPKLLDQQH-INIZCTEOSA-N 1 0 320.393 1.903 20 5 DDBDRO C[NH+](C)CCNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000119301146 408034300 /nfs/dbraw/zinc/03/43/00/408034300.db2.gz KSSSQHUINPTDPT-UHFFFAOYSA-N 1 0 303.322 1.072 20 5 DDBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)COc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000272562886 407984793 /nfs/dbraw/zinc/98/47/93/407984793.db2.gz UNRDILDCLUKAFC-GXTWGEPZSA-N 1 0 319.361 1.526 20 5 DDBDRO NC(=O)NC(=O)CC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135229126 407991557 /nfs/dbraw/zinc/99/15/57/407991557.db2.gz SDFUTZRLGJJUHM-UHFFFAOYSA-N 1 0 306.322 1.144 20 5 DDBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C1 ZINC000175326421 408106490 /nfs/dbraw/zinc/10/64/90/408106490.db2.gz XBIRNPJFFYGBLD-NSHDSACASA-N 1 0 322.365 1.499 20 5 DDBDRO COc1cc(C(=O)N(C)CCC[NH+](C)C)cc([N+](=O)[O-])c1C ZINC000190000287 408142469 /nfs/dbraw/zinc/14/24/69/408142469.db2.gz HWXCGOOZFUHMFZ-UHFFFAOYSA-N 1 0 309.366 1.936 20 5 DDBDRO CC(C)[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000155586885 408183015 /nfs/dbraw/zinc/18/30/15/408183015.db2.gz TWHUBHJJPUJWOF-UHFFFAOYSA-N 1 0 301.368 1.213 20 5 DDBDRO Cc1ccc(-c2n[nH]cc2C[NH2+]CCn2cc([N+](=O)[O-])cn2)o1 ZINC000151258368 408285741 /nfs/dbraw/zinc/28/57/41/408285741.db2.gz WXQMPNFFEXGTHJ-UHFFFAOYSA-N 1 0 316.321 1.873 20 5 DDBDRO C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)Cc1ccc([N+](=O)[O-])cc1F)C2 ZINC000158575569 408347930 /nfs/dbraw/zinc/34/79/30/408347930.db2.gz AQUIAOSMNBEMLR-GXTWGEPZSA-N 1 0 321.352 1.972 20 5 DDBDRO O=C(Cc1ccccc1[N+](=O)[O-])N1CC[C@H]([NH+]2CCCC2)C1 ZINC000171450970 162218904 /nfs/dbraw/zinc/21/89/04/162218904.db2.gz GVJAFOQUFJNPBU-AWEZNQCLSA-N 1 0 303.362 1.834 20 5 DDBDRO CC[C@@H](CO)[NH+]1CCN(Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000183374841 408392450 /nfs/dbraw/zinc/39/24/50/408392450.db2.gz QPGUYHCGAAZSSA-HNNXBMFYSA-N 1 0 307.394 1.792 20 5 DDBDRO Cc1ccnc(NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)c1[N+](=O)[O-] ZINC000265196172 408576571 /nfs/dbraw/zinc/57/65/71/408576571.db2.gz LTEZMZBQDGJXFK-AWEZNQCLSA-N 1 0 321.425 1.982 20 5 DDBDRO Cc1cc(C(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c(N)c([N+](=O)[O-])c1 ZINC000177170877 408542553 /nfs/dbraw/zinc/54/25/53/408542553.db2.gz KREAXUGTWZHSSU-MNOVXSKESA-N 1 0 318.377 1.840 20 5 DDBDRO CC(C)(C(=O)N1CCO[C@@H](C[NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC000274814074 408543490 /nfs/dbraw/zinc/54/34/90/408543490.db2.gz RFINVTRQDJUNSG-ZDUSSCGKSA-N 1 0 307.350 1.059 20 5 DDBDRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000248683820 408614864 /nfs/dbraw/zinc/61/48/64/408614864.db2.gz XXCHNHFZLGYWLR-RYUDHWBXSA-N 1 0 321.381 1.510 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+](CCO)C2CCOCC2)c1 ZINC000275667034 408640403 /nfs/dbraw/zinc/64/04/03/408640403.db2.gz YTNNWDRPETTZRF-OAHLLOKOSA-N 1 0 310.350 1.102 20 5 DDBDRO CC[C@H]1C[N@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C[C@H]1O ZINC000270855089 408708606 /nfs/dbraw/zinc/70/86/06/408708606.db2.gz HGYXFZWRMWGFDJ-SMDDNHRTSA-N 1 0 310.350 1.685 20 5 DDBDRO Cc1cnc(N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000275891325 408709876 /nfs/dbraw/zinc/70/98/76/408709876.db2.gz XZZINADPICLJJL-GFCCVEGCSA-N 1 0 308.382 1.580 20 5 DDBDRO NC(=O)[C@H]1CCCC[C@H]1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000184794515 408690220 /nfs/dbraw/zinc/69/02/20/408690220.db2.gz NBUDTQURKVMDGH-NWDGAFQWSA-N 1 0 307.350 1.607 20 5 DDBDRO O=C1CCCN1[C@@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000270827429 408697902 /nfs/dbraw/zinc/69/79/02/408697902.db2.gz CDHJAPFWEPRQCH-CQSZACIVSA-N 1 0 319.361 1.670 20 5 DDBDRO CC[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)N1CCOCC1 ZINC000165157119 408807624 /nfs/dbraw/zinc/80/76/24/408807624.db2.gz FNDACBRCNFJHLN-SWLSCSKDSA-N 1 0 321.377 1.883 20 5 DDBDRO CC[C@H](C)[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000178005659 408754837 /nfs/dbraw/zinc/75/48/37/408754837.db2.gz CJEHWGZMXYXEAU-JTQLQIEISA-N 1 0 301.368 1.261 20 5 DDBDRO C[NH+](C)[C@@]1(CNC(=O)c2cc([N+](=O)[O-])ccc2N)CCSC1 ZINC000276518263 408874033 /nfs/dbraw/zinc/87/40/33/408874033.db2.gz LXASYIPJUOGMRB-CQSZACIVSA-N 1 0 324.406 1.344 20 5 DDBDRO Cc1cc(C(=O)N2CCO[C@H]3CC[N@@H+](C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000285780968 408862259 /nfs/dbraw/zinc/86/22/59/408862259.db2.gz NAVAKFBQSMKVFV-CABCVRRESA-N 1 0 319.361 1.448 20 5 DDBDRO O=C(CNc1ccccc1[N+](=O)[O-])N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186546576 162981704 /nfs/dbraw/zinc/98/17/04/162981704.db2.gz XIEBLWQXQGAUAC-GFCCVEGCSA-N 1 0 318.377 1.750 20 5 DDBDRO C[C@@H](CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])C[NH+](C)C ZINC000291668026 408904150 /nfs/dbraw/zinc/90/41/50/408904150.db2.gz DEQLDYLEIAVSEN-JTQLQIEISA-N 1 0 315.395 1.608 20 5 DDBDRO COc1cc(C(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000192507272 163225508 /nfs/dbraw/zinc/22/55/08/163225508.db2.gz QNGDUVNADMIHEL-TXEJJXNPSA-N 1 0 305.334 1.237 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1CCC[C@@H]1CCO ZINC000286172934 408935157 /nfs/dbraw/zinc/93/51/57/408935157.db2.gz OSUQJYPACXBHMV-IUODEOHRSA-N 1 0 321.377 1.982 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@](CO)(c3ccccc3)C2)n1 ZINC000291925581 408945863 /nfs/dbraw/zinc/94/58/63/408945863.db2.gz SNFSXELCUPSXFU-INIZCTEOSA-N 1 0 316.361 1.427 20 5 DDBDRO CCNC(=O)[C@@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)C(C)C ZINC000293260327 409077477 /nfs/dbraw/zinc/07/74/77/409077477.db2.gz MPRAEEMMECDRBH-AWEZNQCLSA-N 1 0 309.366 1.854 20 5 DDBDRO CC(C)(C)[C@H](CO)[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000278787248 409087631 /nfs/dbraw/zinc/08/76/31/409087631.db2.gz NZABAPLGGFYZIP-AWEZNQCLSA-N 1 0 321.377 1.481 20 5 DDBDRO C[N@H+]1C[C@H]2CN(c3ncnc4sc([N+](=O)[O-])cc43)C[C@H]2C1 ZINC000287757713 409087724 /nfs/dbraw/zinc/08/77/24/409087724.db2.gz NBKXMMQWPSERFO-DTORHVGOSA-N 1 0 305.363 1.597 20 5 DDBDRO CCC[C@]1(CO)CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000288808733 409182044 /nfs/dbraw/zinc/18/20/44/409182044.db2.gz MHWCNUUTXCJWNH-INIZCTEOSA-N 1 0 321.377 1.678 20 5 DDBDRO O=C(NCCCCC[NH+]1CCCC1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000294031369 409228903 /nfs/dbraw/zinc/22/89/03/409228903.db2.gz WOWAHQMGZPESBU-UHFFFAOYSA-N 1 0 322.365 1.691 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000262738426 163872224 /nfs/dbraw/zinc/87/22/24/163872224.db2.gz BFCOEMUPLWPNOR-PWSUYJOCSA-N 1 0 313.379 1.180 20 5 DDBDRO CCC[NH2+][C@H](C)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000295920149 409376339 /nfs/dbraw/zinc/37/63/39/409376339.db2.gz BOKDAONWXRCINN-CYBMUJFWSA-N 1 0 320.393 1.632 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@](C)(C(=O)NC)C1 ZINC000280541784 409349712 /nfs/dbraw/zinc/34/97/12/409349712.db2.gz DKSFFOWVIGTSKP-MRXNPFEDSA-N 1 0 321.377 1.952 20 5 DDBDRO CNC(=O)[C@@]1(C)CC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000280721286 409426614 /nfs/dbraw/zinc/42/66/14/409426614.db2.gz IAYJDADTFAWPQV-HIFRSBDPSA-N 1 0 307.350 1.086 20 5 DDBDRO CCC(=O)c1ccc(N2CCC([NH2+]CCO)CC2)c([N+](=O)[O-])c1 ZINC000280750817 409439105 /nfs/dbraw/zinc/43/91/05/409439105.db2.gz POEZIWHOPWDECY-UHFFFAOYSA-N 1 0 321.377 1.738 20 5 DDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]([NH3+])CC)cc1OC ZINC000295367424 409452117 /nfs/dbraw/zinc/45/21/17/409452117.db2.gz ZWQPMVGNCKQIGC-VIFPVBQESA-N 1 0 311.338 1.469 20 5 DDBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])[C@H]1CCN2CCO[C@H]1C2 ZINC000295379974 409456795 /nfs/dbraw/zinc/45/67/95/409456795.db2.gz KJENQXSYSJNPIO-BBRMVZONSA-N 1 0 321.377 1.379 20 5 DDBDRO Cn1nc([N+](=O)[O-])cc1C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000357033803 164136838 /nfs/dbraw/zinc/13/68/38/164136838.db2.gz GXSOQCXWDHFBCF-UHFFFAOYSA-N 1 0 321.381 1.419 20 5 DDBDRO CO[C@@]1(C)C[C@H]([NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1(C)C ZINC000296290055 409493005 /nfs/dbraw/zinc/49/30/05/409493005.db2.gz PBBLIZJFFVNODM-BBRMVZONSA-N 1 0 321.377 1.987 20 5 DDBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])nn2C)C1 ZINC000356739012 409562757 /nfs/dbraw/zinc/56/27/57/409562757.db2.gz NOWIZDLTRVWKGT-NSHDSACASA-N 1 0 309.370 1.036 20 5 DDBDRO COc1cccc(C(=O)NC2(C[NH+](C)C)CCC2)c1[N+](=O)[O-] ZINC000341940328 409519255 /nfs/dbraw/zinc/51/92/55/409519255.db2.gz CWIMJEOPXIPTLZ-UHFFFAOYSA-N 1 0 307.350 1.818 20 5 DDBDRO Cc1nc(N2CC[N@H+](C3CCOCC3)C[C@H]2C)ncc1[N+](=O)[O-] ZINC000296794498 409641820 /nfs/dbraw/zinc/64/18/20/409641820.db2.gz OLFJDDMFURQBLY-LLVKDONJSA-N 1 0 321.381 1.383 20 5 DDBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCC[C@@H](O)C1 ZINC000304228583 409581129 /nfs/dbraw/zinc/58/11/29/409581129.db2.gz MLYBWZAXZBQJOR-GFCCVEGCSA-N 1 0 321.333 1.350 20 5 DDBDRO CCn1cnnc1C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000331516094 409591552 /nfs/dbraw/zinc/59/15/52/409591552.db2.gz COKCQNQPVYIVGN-NEPJUHHUSA-N 1 0 319.369 1.676 20 5 DDBDRO CC(C)[C@@H]1CCC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000304315512 409600653 /nfs/dbraw/zinc/60/06/53/409600653.db2.gz OEGKCHNRGHITIU-UKRRQHHQSA-N 1 0 310.398 1.910 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@H]2C2CCOCC2)c1 ZINC000348946813 409603422 /nfs/dbraw/zinc/60/34/22/409603422.db2.gz HLNCJNFAGKKWQM-GJZGRUSLSA-N 1 0 324.381 1.043 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000331536073 409609819 /nfs/dbraw/zinc/60/98/19/409609819.db2.gz PWWSKSKGHUIPHR-SNVBAGLBSA-N 1 0 305.334 1.570 20 5 DDBDRO O=C(NCCNc1cc[nH+]cc1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000338073131 409694753 /nfs/dbraw/zinc/69/47/53/409694753.db2.gz MRYRONMMMLCPTD-UHFFFAOYSA-N 1 0 320.736 1.907 20 5 DDBDRO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000356835254 409647700 /nfs/dbraw/zinc/64/77/00/409647700.db2.gz BLKAMKFRESEIQY-RYUDHWBXSA-N 1 0 307.350 1.525 20 5 DDBDRO C[C@@H]([NH2+][C@H]1CCCN(CCCO)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000297172774 409838405 /nfs/dbraw/zinc/83/84/05/409838405.db2.gz DNRDIGLUKMMXKM-OCCSQVGLSA-N 1 0 322.409 1.674 20 5 DDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000357078621 409849132 /nfs/dbraw/zinc/84/91/32/409849132.db2.gz RKDNZEIVKUJFOW-FRRDWIJNSA-N 1 0 318.377 1.463 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NCC[NH2+]C1CCCCCC1 ZINC000317189286 409864693 /nfs/dbraw/zinc/86/46/93/409864693.db2.gz KAAFGHNFOJIEEH-UHFFFAOYSA-N 1 0 308.382 1.976 20 5 DDBDRO C[C@@H]1CN(C)[C@@H](C)CN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000354616828 409970449 /nfs/dbraw/zinc/97/04/49/409970449.db2.gz BCLHDPSIBCVIIU-WDEREUQCSA-N 1 0 313.379 1.308 20 5 DDBDRO CC(C)[N@H+](C)CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000338423276 409978408 /nfs/dbraw/zinc/97/84/08/409978408.db2.gz VMDYMWVBVSFZOB-UHFFFAOYSA-N 1 0 323.349 1.436 20 5 DDBDRO [NH3+]CC[C@@H]1CCCCN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000357348329 409987931 /nfs/dbraw/zinc/98/79/31/409987931.db2.gz FBWPOPCQTSGXTL-LBPRGKRZSA-N 1 0 307.350 1.704 20 5 DDBDRO COC(=O)[C@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000346609482 410035514 /nfs/dbraw/zinc/03/55/14/410035514.db2.gz CZPGRZWINQMHCX-FZMZJTMJSA-N 1 0 308.334 1.857 20 5 DDBDRO C[C@@H](CNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)[NH+](C)C ZINC000579923206 422854719 /nfs/dbraw/zinc/85/47/19/422854719.db2.gz DJOCAVRBFBHORP-NSHDSACASA-N 1 0 306.366 1.613 20 5 DDBDRO CCC[N@H+](CC)C[C@@H](C)Nc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000357774925 410241617 /nfs/dbraw/zinc/24/16/17/410241617.db2.gz NCEWVVNOITVOCE-SNVBAGLBSA-N 1 0 309.370 1.621 20 5 DDBDRO CNC(=O)CCOC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000355137106 410337485 /nfs/dbraw/zinc/33/74/85/410337485.db2.gz QVSMIFZOLQSXPX-UHFFFAOYSA-N 1 0 321.377 1.712 20 5 DDBDRO COc1cc(C[NH+]2CCC(CNC(C)=O)CC2)ccc1[N+](=O)[O-] ZINC000351971110 410383585 /nfs/dbraw/zinc/38/35/85/410383585.db2.gz OYENJSRVIUUYDK-UHFFFAOYSA-N 1 0 321.377 1.952 20 5 DDBDRO CC[N@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)C[C@@H](C)O ZINC000352188385 410534103 /nfs/dbraw/zinc/53/41/03/410534103.db2.gz YJVZYJUWKHEQOF-LLVKDONJSA-N 1 0 323.349 1.596 20 5 DDBDRO Cn1c(C(=O)NCC[N@@H+]2CCCC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000347411460 410531196 /nfs/dbraw/zinc/53/11/96/410531196.db2.gz ANPGINCNBZQOMU-UHFFFAOYSA-N 1 0 308.382 1.785 20 5 DDBDRO COc1ccc(CNC(=O)NC[C@@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000299251543 410582272 /nfs/dbraw/zinc/58/22/72/410582272.db2.gz PJETXVMGTSHDGU-LBPRGKRZSA-N 1 0 322.365 1.497 20 5 DDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359301728 410590623 /nfs/dbraw/zinc/59/06/23/410590623.db2.gz IBVUAALAKZKPGO-UTUOFQBUSA-N 1 0 304.350 1.073 20 5 DDBDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000347662138 410661272 /nfs/dbraw/zinc/66/12/72/410661272.db2.gz YYTVUFAVBCOGGT-LLVKDONJSA-N 1 0 322.365 1.248 20 5 DDBDRO C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCC(F)(F)CC1 ZINC000347610940 410630925 /nfs/dbraw/zinc/63/09/25/410630925.db2.gz CAALOCHHZNNECA-LBPRGKRZSA-N 1 0 318.324 1.662 20 5 DDBDRO COC(=O)COc1ccc(C[N@H+](C)[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000355748223 410675439 /nfs/dbraw/zinc/67/54/39/410675439.db2.gz QMHGTNZXBQCZOO-GFCCVEGCSA-N 1 0 324.333 1.367 20 5 DDBDRO CC(C)[C@@H](CNc1ncc([N+](=O)[O-])cn1)[NH+]1CCN(C)CC1 ZINC000301097633 410655608 /nfs/dbraw/zinc/65/56/08/410655608.db2.gz QDRJLFLVUUDYKZ-CYBMUJFWSA-N 1 0 308.386 1.069 20 5 DDBDRO O=[N+]([O-])c1cccnc1N1CCC[C@H]1C[N@H+]1CCC[C@@H]1CO ZINC000301530276 410738997 /nfs/dbraw/zinc/73/89/97/410738997.db2.gz KWBFAPNDMVVBMY-QWHCGFSZSA-N 1 0 306.366 1.415 20 5 DDBDRO O=[N+]([O-])c1cccnc1N1CCC[C@@H]1C[N@H+]1CCC[C@@H]1CO ZINC000301530274 410739533 /nfs/dbraw/zinc/73/95/33/410739533.db2.gz KWBFAPNDMVVBMY-CHWSQXEVSA-N 1 0 306.366 1.415 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@@H](COC(F)F)C1 ZINC000353022928 410740881 /nfs/dbraw/zinc/74/08/81/410740881.db2.gz FIRGITBYLDXRNG-SNVBAGLBSA-N 1 0 317.292 1.318 20 5 DDBDRO CCc1ccc([C@@H](CO)[NH2+]CCn2ccc([N+](=O)[O-])n2)cc1 ZINC000359624379 410778120 /nfs/dbraw/zinc/77/81/20/410778120.db2.gz IDSKHGQFNZCURW-CQSZACIVSA-N 1 0 304.350 1.677 20 5 DDBDRO Cc1c(CC(=O)N2CC[N@@H+](C)[C@H](C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000330628561 410837972 /nfs/dbraw/zinc/83/79/72/410837972.db2.gz LSAIBLVRRMKWLC-CHWSQXEVSA-N 1 0 305.378 1.997 20 5 DDBDRO C[C@@H]1C[N@H+](C)CCN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000330676361 410868676 /nfs/dbraw/zinc/86/86/76/410868676.db2.gz UHCPHSOIBNHLIM-LLVKDONJSA-N 1 0 317.349 1.781 20 5 DDBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@H](CO)C1CCOCC1 ZINC000359929880 410956907 /nfs/dbraw/zinc/95/69/07/410956907.db2.gz NLYBGNJWPPFKQN-SJDLMVEWSA-N 1 0 306.362 1.985 20 5 DDBDRO CC[NH+](CC)CCO[C@@H]1CCN(c2ccc([N+](=O)[O-])nc2)C1 ZINC000353470080 411010618 /nfs/dbraw/zinc/01/06/18/411010618.db2.gz CFDHLVBFJXCDSQ-CQSZACIVSA-N 1 0 308.382 1.927 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)[C@@H](C[NH3+])C1CC1 ZINC000359908641 410945385 /nfs/dbraw/zinc/94/53/85/410945385.db2.gz XQAPAVZJFPUVNL-HNNXBMFYSA-N 1 0 320.393 1.901 20 5 DDBDRO C[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])CC1(O)CCC1 ZINC000353484650 411023742 /nfs/dbraw/zinc/02/37/42/411023742.db2.gz KJAWONGSLRXSKF-GFCCVEGCSA-N 1 0 310.350 1.181 20 5 DDBDRO O=C(c1n[nH]cc1[N+](=O)[O-])N1CC[NH+]([C@@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000131595289 196182448 /nfs/dbraw/zinc/18/24/48/196182448.db2.gz OHKFHIRPZZXHBC-QJPTWQEYSA-N 1 0 319.365 1.264 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000132297374 196243883 /nfs/dbraw/zinc/24/38/83/196243883.db2.gz ZUOQHKBOYKDMGM-MNOVXSKESA-N 1 0 313.379 1.261 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NCC[C@H]1CC[NH2+]C1 ZINC000417197370 225241439 /nfs/dbraw/zinc/24/14/39/225241439.db2.gz QBPXKNDCDYNAEZ-LLVKDONJSA-N 1 0 322.365 1.402 20 5 DDBDRO COc1ccc(CNC(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)cc1[N+](=O)[O-] ZINC000417199857 225241801 /nfs/dbraw/zinc/24/18/01/225241801.db2.gz ZGJWATASVFFTFV-MNOVXSKESA-N 1 0 322.365 1.495 20 5 DDBDRO C[C@H]1CN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)[C@@H](C)C[NH2+]1 ZINC000417232756 225257124 /nfs/dbraw/zinc/25/71/24/225257124.db2.gz MYEJLZCSGUBXTR-RYUDHWBXSA-N 1 0 306.366 1.529 20 5 DDBDRO Cn1ccnc1[C@@H](N[C@H]1CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000423178632 227390869 /nfs/dbraw/zinc/39/08/69/227390869.db2.gz CGLWDTBKRYKZDT-ZFWWWQNUSA-N 1 0 315.377 1.759 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC000362644508 307023346 /nfs/dbraw/zinc/02/33/46/307023346.db2.gz RXULOAZCXQIHFN-MFKMUULPSA-N 1 0 307.350 1.417 20 5 DDBDRO O=C(Nc1ccncc1[N+](=O)[O-])N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000373285249 418419399 /nfs/dbraw/zinc/41/93/99/418419399.db2.gz AESSLYKARVTVCH-LLVKDONJSA-N 1 0 305.338 1.114 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000366453332 418474828 /nfs/dbraw/zinc/47/48/28/418474828.db2.gz ZRGQPBHIWXAEFL-WDNDVIMCSA-N 1 0 319.361 1.402 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000374647256 418551131 /nfs/dbraw/zinc/55/11/31/418551131.db2.gz TUKUTNPNBPZKCB-GDLCADMTSA-N 1 0 319.361 1.803 20 5 DDBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@H](O)C[NH+]1CCCCC1 ZINC000360953385 418553219 /nfs/dbraw/zinc/55/32/19/418553219.db2.gz KQEHPHXOBGWRMK-LBPRGKRZSA-N 1 0 311.386 1.378 20 5 DDBDRO O=[N+]([O-])c1ccc(-c2noc(NCC[NH+]3CCCC3)n2)cc1 ZINC000359494130 418656016 /nfs/dbraw/zinc/65/60/16/418656016.db2.gz FHLIGAZHQDLMDV-UHFFFAOYSA-N 1 0 303.322 2.153 20 5 DDBDRO COCC(COC)Nc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000388424306 418746083 /nfs/dbraw/zinc/74/60/83/418746083.db2.gz JLKRVIAYIPIFFT-UHFFFAOYSA-N 1 0 305.334 1.947 20 5 DDBDRO CC[C@@](C)([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000411387244 418898645 /nfs/dbraw/zinc/89/86/45/418898645.db2.gz JMKTYCZWEFBMAM-CQSZACIVSA-N 1 0 308.338 1.167 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000365305997 418850620 /nfs/dbraw/zinc/85/06/20/418850620.db2.gz QYSFOXGUOMWTCS-LBPRGKRZSA-N 1 0 306.366 1.855 20 5 DDBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000372912196 418913580 /nfs/dbraw/zinc/91/35/80/418913580.db2.gz OCULTKJFPDOKMD-WBSOJBIMSA-N 1 0 301.346 1.818 20 5 DDBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@](O)(C2CC2)C1 ZINC000365839914 418915131 /nfs/dbraw/zinc/91/51/31/418915131.db2.gz UBWWCQCCKPVOTO-ZBEGNZNMSA-N 1 0 319.361 1.769 20 5 DDBDRO C[C@H]1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000424022219 228220670 /nfs/dbraw/zinc/22/06/70/228220670.db2.gz UUSLDJSCGOZOCI-JSGCOSHPSA-N 1 0 305.378 1.971 20 5 DDBDRO C[C@H](N[C@@H]1CCCC[C@H]1[NH3+])C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000424331861 228258952 /nfs/dbraw/zinc/25/89/52/228258952.db2.gz KBGPFEBIYCFEBS-ZLKJLUDKSA-N 1 0 306.366 1.781 20 5 DDBDRO CC[N@@H+]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000411724179 419391415 /nfs/dbraw/zinc/39/14/15/419391415.db2.gz YMFTWGOZDKSRLO-ZDUSSCGKSA-N 1 0 320.393 1.949 20 5 DDBDRO [NH3+]C[C@@H](NC(=O)NCCc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000417932322 419396737 /nfs/dbraw/zinc/39/67/37/419396737.db2.gz CSVYKBFKVWRWJP-OAHLLOKOSA-N 1 0 320.393 1.954 20 5 DDBDRO C[C@@H]1CN(C(=O)NCCc2cccc([N+](=O)[O-])c2)[C@H](C)C[NH2+]1 ZINC000417937371 419401290 /nfs/dbraw/zinc/40/12/90/419401290.db2.gz IMAAQKVEFFHHDT-VXGBXAGGSA-N 1 0 306.366 1.529 20 5 DDBDRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000417943781 419408619 /nfs/dbraw/zinc/40/86/19/419408619.db2.gz PDRABZDQBCPPKJ-GXTWGEPZSA-N 1 0 320.393 1.906 20 5 DDBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)NCC[C@H]1CCC[NH2+]C1 ZINC000417943306 419409042 /nfs/dbraw/zinc/40/90/42/419409042.db2.gz OUEGSBIRKOBOTB-CQSZACIVSA-N 1 0 320.393 1.826 20 5 DDBDRO C[C@@H]1C[C@@H](CO)C[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000420929418 419362565 /nfs/dbraw/zinc/36/25/65/419362565.db2.gz BJNRJJAFFNBGPT-MGPQQGTHSA-N 1 0 324.377 1.285 20 5 DDBDRO C[C@H]1C[C@H](CO)C[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000420936983 419371564 /nfs/dbraw/zinc/37/15/64/419371564.db2.gz JFWLARRQKOJEGQ-STQMWFEESA-N 1 0 321.377 1.508 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CC[C@@]23CCOC3)c1 ZINC000421041763 419466221 /nfs/dbraw/zinc/46/62/21/419466221.db2.gz YPJDGCDNRPXWOY-ZFWWWQNUSA-N 1 0 308.334 1.199 20 5 DDBDRO CN(C)C(=O)[C@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000411940632 419510015 /nfs/dbraw/zinc/51/00/15/419510015.db2.gz KNPVQLVNMGVLMH-JTQLQIEISA-N 1 0 318.333 1.646 20 5 DDBDRO C[C@H](NC(=O)NCC[C@H]1CC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000418240847 419639502 /nfs/dbraw/zinc/63/95/02/419639502.db2.gz ZZGSJGJBCIYDIZ-NWDGAFQWSA-N 1 0 306.366 1.955 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000428032666 228694061 /nfs/dbraw/zinc/69/40/61/228694061.db2.gz KPHVZXAUMIHQCR-QWHCGFSZSA-N 1 0 318.377 1.526 20 5 DDBDRO O=[N+]([O-])c1ccc2oc(CN3CC[C@H]4[NH2+]CC[C@@H]4C3)nc2c1 ZINC000428040008 419799635 /nfs/dbraw/zinc/79/96/35/419799635.db2.gz ULKIVHMYYCAVSV-ZYHUDNBSSA-N 1 0 302.334 1.920 20 5 DDBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000299320901 229049094 /nfs/dbraw/zinc/04/90/94/229049094.db2.gz XLTZKVIABYZVQC-GFCCVEGCSA-N 1 0 309.370 1.172 20 5 DDBDRO Cc1cc(NC[C@H]2CCCC(=O)N2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000432935490 229138795 /nfs/dbraw/zinc/13/87/95/229138795.db2.gz DNJVJOZBQUBLCH-LLVKDONJSA-N 1 0 314.345 1.954 20 5 DDBDRO COC[C@](C)(CC(=O)OC)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000428769657 419930652 /nfs/dbraw/zinc/93/06/52/419930652.db2.gz QTDKTVDUGCYEAQ-HNNXBMFYSA-N 1 0 310.350 1.695 20 5 DDBDRO Cn1ccnc1[C@H](NC[C@H]1CCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000423233877 419993174 /nfs/dbraw/zinc/99/31/74/419993174.db2.gz KQIWGKWEBSIXPO-UKRRQHHQSA-N 1 0 315.377 1.759 20 5 DDBDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(CCn2cc([N+](=O)[O-])cn2)C[C@@H](C)C1 ZINC000428988699 419959155 /nfs/dbraw/zinc/95/91/55/419959155.db2.gz ARZCVJZOSYXDDJ-NFAWXSAZSA-N 1 0 307.398 1.453 20 5 DDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000418790972 419984603 /nfs/dbraw/zinc/98/46/03/419984603.db2.gz NFGSHFAVAFMWAR-CYBMUJFWSA-N 1 0 322.365 1.115 20 5 DDBDRO CC(C)[C@H]([NH3+])CN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000423278875 420000965 /nfs/dbraw/zinc/00/09/65/420000965.db2.gz RGKNPHUZOHIROR-HUUCEWRRSA-N 1 0 317.393 1.991 20 5 DDBDRO C[C@@H]1CN(Cc2c([N+](=O)[O-])ncn2C)CC[N@@H+](C2CCC2)C1 ZINC000429404341 420015113 /nfs/dbraw/zinc/01/51/13/420015113.db2.gz QDLBKENHKLSLEJ-GFCCVEGCSA-N 1 0 307.398 1.635 20 5 DDBDRO Cc1ccc(NC(=O)C(=O)N[C@H](C[NH3+])CC(C)C)cc1[N+](=O)[O-] ZINC000415421623 420057692 /nfs/dbraw/zinc/05/76/92/420057692.db2.gz CVMAPTDXQMBNKA-LBPRGKRZSA-N 1 0 322.365 1.331 20 5 DDBDRO Cc1c(NC(=O)C(=O)N[C@@H](C[NH3+])CC(C)C)cccc1[N+](=O)[O-] ZINC000415428092 420061841 /nfs/dbraw/zinc/06/18/41/420061841.db2.gz OHEXYTZXHCWFQC-LLVKDONJSA-N 1 0 322.365 1.331 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1CN(CCO)[C@@H]1CCO[C@H]1C ZINC000430248479 420096488 /nfs/dbraw/zinc/09/64/88/420096488.db2.gz ZQKRBBPZMZWIOY-SMDDNHRTSA-N 1 0 310.350 1.575 20 5 DDBDRO COc1ccc(NC(=O)CN[C@@](C)(C[NH3+])C2CC2)c([N+](=O)[O-])c1 ZINC000430564648 420138431 /nfs/dbraw/zinc/13/84/31/420138431.db2.gz BWXFZQNGUWJGFZ-HNNXBMFYSA-N 1 0 322.365 1.259 20 5 DDBDRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000415480289 420084304 /nfs/dbraw/zinc/08/43/04/420084304.db2.gz BTQPMBYAUFNIAH-CYBMUJFWSA-N 1 0 322.365 1.365 20 5 DDBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000420345277 420224629 /nfs/dbraw/zinc/22/46/29/420224629.db2.gz AJRMZDUZGLXQAL-RWMBFGLXSA-N 1 0 318.377 1.748 20 5 DDBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420369062 420241202 /nfs/dbraw/zinc/24/12/02/420241202.db2.gz BJCKKAYQLJGNOG-AGIUHOORSA-N 1 0 320.393 1.839 20 5 DDBDRO CCc1ccccc1[C@@H]([NH3+])CNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000423981633 420290057 /nfs/dbraw/zinc/29/00/57/420290057.db2.gz QWMMMKOIUWPNQG-ZDUSSCGKSA-N 1 0 316.361 1.926 20 5 DDBDRO Cc1n[nH]c(C(=O)N[C@@H](CCC[NH3+])c2ccccc2)c1[N+](=O)[O-] ZINC000423977003 420288040 /nfs/dbraw/zinc/28/80/40/420288040.db2.gz VIBFOIRICOISME-LBPRGKRZSA-N 1 0 317.349 1.836 20 5 DDBDRO C[NH+](C)C1(CNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000416304036 420321438 /nfs/dbraw/zinc/32/14/38/420321438.db2.gz SPCMFEKDTBJOFR-UHFFFAOYSA-N 1 0 316.361 1.760 20 5 DDBDRO O=C(NC[C@H]1C[NH2+]CCO1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000423989630 420292764 /nfs/dbraw/zinc/29/27/64/420292764.db2.gz ISGMZHKZORUUST-LLVKDONJSA-N 1 0 305.290 1.059 20 5 DDBDRO Cc1ccc(S(=O)(=O)N[C@@H]2CC[C@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000420454703 420298049 /nfs/dbraw/zinc/29/80/49/420298049.db2.gz WOLPCOCQUGDIJG-WDEREUQCSA-N 1 0 313.379 1.309 20 5 DDBDRO [NH3+][C@H]1CCC[C@H](CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000420456866 420299481 /nfs/dbraw/zinc/29/94/81/420299481.db2.gz APJXKKKGFQMLNN-QWRGUYRKSA-N 1 0 313.379 1.391 20 5 DDBDRO O=C(N[C@@H]1CCn2ccnc2C1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436828232 420371600 /nfs/dbraw/zinc/37/16/00/420371600.db2.gz PZIYCUBRJCUQPC-SECBINFHSA-N 1 0 302.290 1.242 20 5 DDBDRO Cc1cc(C)cc(C[N@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000444699050 230124136 /nfs/dbraw/zinc/12/41/36/230124136.db2.gz DQLPWOKCBDDLBB-INIZCTEOSA-N 1 0 318.377 1.901 20 5 DDBDRO Cc1ccc(NCCCNC(=O)NC[C@@H](C)C[NH3+])c([N+](=O)[O-])c1 ZINC000417720801 420460800 /nfs/dbraw/zinc/46/08/00/420460800.db2.gz SDOSAZGFWCCUSM-LBPRGKRZSA-N 1 0 323.397 1.599 20 5 DDBDRO CCCC[C@H](C[NH3+])NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000417774580 420475450 /nfs/dbraw/zinc/47/54/50/420475450.db2.gz ZMQRGKHPZGWLDN-CYBMUJFWSA-N 1 0 308.382 1.954 20 5 DDBDRO CC[N@H+](C)C[C@@H]1CCN(c2cccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000439174041 420499474 /nfs/dbraw/zinc/49/94/74/420499474.db2.gz YEJPJNVEZHADIP-NSHDSACASA-N 1 0 306.366 1.472 20 5 DDBDRO CCOc1cc(N2CC[N@H+](CCO)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000450958719 420571043 /nfs/dbraw/zinc/57/10/43/420571043.db2.gz WPLQARPVOZHQEF-LBPRGKRZSA-N 1 0 309.366 1.496 20 5 DDBDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000457122580 420621643 /nfs/dbraw/zinc/62/16/43/420621643.db2.gz OUONMQHGLMTUHE-ZDUSSCGKSA-N 1 0 320.393 1.948 20 5 DDBDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000457137205 420627465 /nfs/dbraw/zinc/62/74/65/420627465.db2.gz XDRRAHPYLJUSIY-GFCCVEGCSA-N 1 0 309.370 1.123 20 5 DDBDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000493048882 420742758 /nfs/dbraw/zinc/74/27/58/420742758.db2.gz NDVNYQPHWRFPAJ-CVEGFPIKSA-N 1 0 307.325 1.943 20 5 DDBDRO C[C@@H]1C[C@@H](C[NH3+])CN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000442784641 420716053 /nfs/dbraw/zinc/71/60/53/420716053.db2.gz SFDVHKHNJODMRN-MNOVXSKESA-N 1 0 317.349 1.814 20 5 DDBDRO O=C(NCC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)C1CC1 ZINC000447515976 420777434 /nfs/dbraw/zinc/77/74/34/420777434.db2.gz MQPOABUKOVMZGZ-STQMWFEESA-N 1 0 321.381 1.391 20 5 DDBDRO O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)NCC[NH+]1CCCC1 ZINC000448601787 420870824 /nfs/dbraw/zinc/87/08/24/420870824.db2.gz XHXSCVSZWAJIQS-UHFFFAOYSA-N 1 0 319.361 1.770 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1C[C@@H]2C[C@H]1CS2 ZINC000459792257 420874652 /nfs/dbraw/zinc/87/46/52/420874652.db2.gz JKYOLDJJCJKUGA-SRVKXCTJSA-N 1 0 310.375 1.524 20 5 DDBDRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000449648787 421044614 /nfs/dbraw/zinc/04/46/14/421044614.db2.gz REXDRRRAHKUWDE-VXGBXAGGSA-N 1 0 306.366 1.640 20 5 DDBDRO CC1(C)C[NH2+]CC[C@@H]1NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000449697429 421061974 /nfs/dbraw/zinc/06/19/74/421061974.db2.gz KWXHVWAKRHXNIT-LBPRGKRZSA-N 1 0 317.349 1.589 20 5 DDBDRO C[C@@H]([NH3+])[C@H](C)NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000449604976 421037746 /nfs/dbraw/zinc/03/77/46/421037746.db2.gz VHXUYBMDXZXLHW-ZJUUUORDSA-N 1 0 303.322 1.246 20 5 DDBDRO [NH3+]CC[C@H](NC(=O)COc1cccc([N+](=O)[O-])c1)C(F)F ZINC000449610817 421038499 /nfs/dbraw/zinc/03/84/99/421038499.db2.gz HXKCWTCUBHSCHF-JTQLQIEISA-N 1 0 303.265 1.072 20 5 DDBDRO C[C@H]1[C@@H](CO)CC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000488799333 421118346 /nfs/dbraw/zinc/11/83/46/421118346.db2.gz KJQKZVIWGSCKEF-WCQYABFASA-N 1 0 319.361 1.187 20 5 DDBDRO O=C(CNc1ccccc1[N+](=O)[O-])N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000449736613 421071229 /nfs/dbraw/zinc/07/12/29/421071229.db2.gz WTZBCBUTTUQYCX-SMDDNHRTSA-N 1 0 304.350 1.217 20 5 DDBDRO Cc1ccc(S(=O)(=O)NC[C@@H](C)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000490049844 421186907 /nfs/dbraw/zinc/18/69/07/421186907.db2.gz XAFAAJKEBLYOTO-LLVKDONJSA-N 1 0 315.395 1.379 20 5 DDBDRO C[C@@H]1CC[N@H+](CCNC(=O)CN(C)c2ccccc2[N+](=O)[O-])C1 ZINC000525804609 421302537 /nfs/dbraw/zinc/30/25/37/421302537.db2.gz FHHOMFUTJUKDLI-CYBMUJFWSA-N 1 0 320.393 1.489 20 5 DDBDRO Cc1cccc(C(=O)NC[C@@]2(O)C[NH+]3CCC2CC3)c1[N+](=O)[O-] ZINC000560508759 421277100 /nfs/dbraw/zinc/27/71/00/421277100.db2.gz WDXVUVDYWIXAHA-MRXNPFEDSA-N 1 0 319.361 1.090 20 5 DDBDRO CNc1ccc(C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)cc1[N+](=O)[O-] ZINC000563089209 421453764 /nfs/dbraw/zinc/45/37/64/421453764.db2.gz YGSAKPXBEBOEBM-NWDGAFQWSA-N 1 0 304.350 1.461 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCc2cccc(Cl)c2)c1 ZINC000514932420 421467075 /nfs/dbraw/zinc/46/70/75/421467075.db2.gz VYTUWFDHVJUIBG-CQSZACIVSA-N 1 0 324.768 1.638 20 5 DDBDRO O=c1onc(-c2cccc([N+](=O)[O-])c2)n1CC[C@H]1CC[NH2+]C1 ZINC000515381081 421498322 /nfs/dbraw/zinc/49/83/22/421498322.db2.gz SXEGWSRCEPSPAN-SNVBAGLBSA-N 1 0 304.306 1.411 20 5 DDBDRO CCC[C@H](C)[C@H](CO)[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000516574131 421554438 /nfs/dbraw/zinc/55/44/38/421554438.db2.gz KYURRRGZMIQAIW-AAEUAGOBSA-N 1 0 309.366 1.920 20 5 DDBDRO Cc1c(Cn2cnc3c(c2=O)CC[NH2+]CC3)cccc1[N+](=O)[O-] ZINC000572875715 421877768 /nfs/dbraw/zinc/87/77/68/421877768.db2.gz XLRCMLPQDRFLCU-UHFFFAOYSA-N 1 0 314.345 1.196 20 5 DDBDRO CNc1ccc(C(=O)NC[C@](C)(O)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000574624718 422144714 /nfs/dbraw/zinc/14/47/14/422144714.db2.gz VKUGALODXZBSGZ-OAHLLOKOSA-N 1 0 324.381 1.069 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H]([NH3+])c2ccccc2)n1 ZINC000574517054 422123469 /nfs/dbraw/zinc/12/34/69/422123469.db2.gz OIIGSNRXYZGXMV-NSHDSACASA-N 1 0 303.322 1.241 20 5 DDBDRO CC(C)[C@@](C)(C[NH3+])NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000584226575 422287973 /nfs/dbraw/zinc/28/79/73/422287973.db2.gz YBXWPEZARAZREY-CQSZACIVSA-N 1 0 309.322 1.427 20 5 DDBDRO COC(=O)[C@@H]1C[C@H](O)C[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000592201835 422330214 /nfs/dbraw/zinc/33/02/14/422330214.db2.gz WDTKQPMHNPKIDS-UTUOFQBUSA-N 1 0 308.334 1.512 20 5 DDBDRO CC[C@H]([NH2+]C)C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000595923665 422359788 /nfs/dbraw/zinc/35/97/88/422359788.db2.gz AVVUGESRDFXIHY-NSHDSACASA-N 1 0 303.322 1.921 20 5 DDBDRO C[C@@H]1CCC[N@H+](CCCCNc2ccc(N)c([N+](=O)[O-])n2)C1 ZINC000596075741 422361947 /nfs/dbraw/zinc/36/19/47/422361947.db2.gz KHKVRQGOERFOOE-GFCCVEGCSA-N 1 0 307.398 2.496 20 5 DDBDRO CC(C)[C@H](CNc1ccc2ncc([N+](=O)[O-])n2n1)[NH+]1CCCC1 ZINC000596070508 422363391 /nfs/dbraw/zinc/36/33/91/422363391.db2.gz QILGXPPFOQMSIV-LBPRGKRZSA-N 1 0 318.381 2.170 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]Cc2nc(C3CC3)cs2)c1 ZINC000577722764 422415260 /nfs/dbraw/zinc/41/52/60/422415260.db2.gz YEEIXMXIRAPFGW-LLVKDONJSA-N 1 0 323.378 1.276 20 5 DDBDRO CNC(=O)CCC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000578374866 422559246 /nfs/dbraw/zinc/55/92/46/422559246.db2.gz TWXMPSKXVFDHAW-NSHDSACASA-N 1 0 307.354 1.002 20 5 DDBDRO CCC[NH+]1CCC(CNC(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000195390368 263540468 /nfs/dbraw/zinc/54/04/68/263540468.db2.gz KKVKGBAZKJHKDW-UHFFFAOYSA-N 1 0 309.370 1.030 20 5 DDBDRO C[C@@H]1CCCN(C(=O)COc2ccc([N+](=O)[O-])cc2)[C@H]1C[NH3+] ZINC000237502418 263579058 /nfs/dbraw/zinc/57/90/58/263579058.db2.gz GPIZCUKFDGTQSU-RISCZKNCSA-N 1 0 307.350 1.559 20 5 DDBDRO COC[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccc(F)cc1 ZINC000342319104 271374051 /nfs/dbraw/zinc/37/40/51/271374051.db2.gz BMDLJDCCWRPLTN-CYBMUJFWSA-N 1 0 308.313 1.908 20 5 DDBDRO CCCN(CC[NH+]1CCCC1)c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000343246627 271698874 /nfs/dbraw/zinc/69/88/74/271698874.db2.gz FINXRCJCAIQEHB-UHFFFAOYSA-N 1 0 318.381 1.950 20 5 DDBDRO CC[NH+]1C[C@H](C)N(C(=O)COc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000344410943 272018295 /nfs/dbraw/zinc/01/82/95/272018295.db2.gz CDBBRCINZCOVMW-STQMWFEESA-N 1 0 321.377 1.915 20 5 DDBDRO Cn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)n1 ZINC000345300447 272213154 /nfs/dbraw/zinc/21/31/54/272213154.db2.gz KAGSXLZTEIJZJU-GFCCVEGCSA-N 1 0 321.381 1.323 20 5 DDBDRO CCc1n[nH]c(C(=O)NC[C@H]2CCC[N@@H+](CC)C2)c1[N+](=O)[O-] ZINC000345925023 272366645 /nfs/dbraw/zinc/36/66/45/272366645.db2.gz LDPMHUSLQDSQDQ-SNVBAGLBSA-N 1 0 309.370 1.342 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@@H]2CCn3cncc3C2)cc1 ZINC001120599254 782047616 /nfs/dbraw/zinc/04/76/16/782047616.db2.gz JAOBLRPKSVUMAA-DOMZBBRYSA-N 1 0 302.334 1.429 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CCC[C@@H]([NH+](C)C)CC2)n1 ZINC000287714608 274003895 /nfs/dbraw/zinc/00/38/95/274003895.db2.gz KWFVCIKCBAXGRI-LLVKDONJSA-N 1 0 322.365 1.697 20 5 DDBDRO CCOC(=O)c1ccnc(N2CCC[N@H+](CC)CC2)c1[N+](=O)[O-] ZINC000150836874 276300596 /nfs/dbraw/zinc/30/05/96/276300596.db2.gz HKJFEIQSCTVFKB-UHFFFAOYSA-N 1 0 322.365 1.699 20 5 DDBDRO CC(C)(C(=O)NCCC[NH+]1CCCCC1)n1cc([N+](=O)[O-])cn1 ZINC000338642607 277124374 /nfs/dbraw/zinc/12/43/74/277124374.db2.gz YUOVYIVKMRGTHY-UHFFFAOYSA-N 1 0 323.397 1.519 20 5 DDBDRO C[C@@H](C[NH+](C)C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000286642645 278239829 /nfs/dbraw/zinc/23/98/29/278239829.db2.gz JCSGPAPEXFFANN-QMMMGPOBSA-N 1 0 321.786 1.477 20 5 DDBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CCCn2ccnn2)n1 ZINC000447596146 280377421 /nfs/dbraw/zinc/37/74/21/280377421.db2.gz BMXIXQIFUGDWRL-STQMWFEESA-N 1 0 319.369 1.546 20 5 DDBDRO Cc1cc(N2CC[C@H](C(N)=O)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000272893470 280572403 /nfs/dbraw/zinc/57/24/03/280572403.db2.gz YDMBTVZYGUESJK-JTQLQIEISA-N 1 0 300.318 1.763 20 5 DDBDRO CCOc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH3+])cc1[N+](=O)[O-] ZINC000128479567 281312142 /nfs/dbraw/zinc/31/21/42/281312142.db2.gz OBOMDRUXYKWNKR-VXGBXAGGSA-N 1 0 307.350 1.993 20 5 DDBDRO CC[C@H](O)[C@H](CC)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000572722071 304550996 /nfs/dbraw/zinc/55/09/96/304550996.db2.gz PEBRTPSRRZOKBQ-QEJZJMRPSA-N 1 0 312.366 1.474 20 5 DDBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000363904171 300323801 /nfs/dbraw/zinc/32/38/01/300323801.db2.gz LBUQBWLFSCICAU-MFKMUULPSA-N 1 0 319.365 1.128 20 5 DDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](CC(N)=O)C1 ZINC000368579778 301056449 /nfs/dbraw/zinc/05/64/49/301056449.db2.gz UIIKPGDLXUFWMH-GHMZBOCLSA-N 1 0 320.349 1.119 20 5 DDBDRO O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3C[C@H](O)C[C@H]3CO)o2)c1 ZINC000370385924 301328055 /nfs/dbraw/zinc/32/80/55/301328055.db2.gz HLDKAWJFYPQMRQ-UONOGXRCSA-N 1 0 318.329 1.782 20 5 DDBDRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(F)cc1[N+](=O)[O-] ZINC000370465582 301344666 /nfs/dbraw/zinc/34/46/66/301344666.db2.gz TWVADDFRNRVSHC-VXGBXAGGSA-N 1 0 323.324 1.327 20 5 DDBDRO [NH3+][C@H]1CCC[C@]12CCN(C(=O)COc1cccc([N+](=O)[O-])c1)C2 ZINC000372783492 301613114 /nfs/dbraw/zinc/61/31/14/301613114.db2.gz MMLMOYILOYWMGV-GOEBONIOSA-N 1 0 319.361 1.704 20 5 DDBDRO Cc1nn(CCC(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)c(C)c1[N+](=O)[O-] ZINC000373053710 301654954 /nfs/dbraw/zinc/65/49/54/301654954.db2.gz UKNLBYNLZGFOGF-STQMWFEESA-N 1 0 321.381 1.009 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000227065006 302045543 /nfs/dbraw/zinc/04/55/43/302045543.db2.gz ALWACQNCIQOHCD-QWRGUYRKSA-N 1 0 313.379 1.261 20 5 DDBDRO [NH3+]CCNC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCCC[C@H]12 ZINC000378185685 302287813 /nfs/dbraw/zinc/28/78/13/302287813.db2.gz XYTJSMQOPMLPQO-DZGCQCFKSA-N 1 0 318.377 1.201 20 5 DDBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)c1ccc([N+](=O)[O-])o1 ZINC000378227210 302299730 /nfs/dbraw/zinc/29/97/30/302299730.db2.gz WJEJQWDJAWNYHL-MDZLAQPJSA-N 1 0 323.349 1.512 20 5 DDBDRO C[C@@H]1C[C@H](C)N(C(=O)Cc2cccc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000397253178 302352862 /nfs/dbraw/zinc/35/28/62/302352862.db2.gz QBXNSBQWOKDVND-MBNYWOFBSA-N 1 0 305.378 1.969 20 5 DDBDRO COc1ccc(CC(=O)N2CC[N@H+](C)[C@@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000536608800 303365793 /nfs/dbraw/zinc/36/57/93/303365793.db2.gz RRAFJVGRAVLPBN-NWDGAFQWSA-N 1 0 321.377 1.697 20 5 DDBDRO C[C@H](C[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])S(C)(=O)=O ZINC000537940347 303381363 /nfs/dbraw/zinc/38/13/63/303381363.db2.gz FTRDFASDVJBZJN-NWDGAFQWSA-N 1 0 314.407 1.939 20 5 DDBDRO C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)C(C)(C)n1cncn1 ZINC000558492993 303772934 /nfs/dbraw/zinc/77/29/34/303772934.db2.gz IKLMUUJRNUNFSS-GFCCVEGCSA-N 1 0 319.365 1.979 20 5 DDBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000366469809 307074545 /nfs/dbraw/zinc/07/45/45/307074545.db2.gz HXACJTURAFLDJG-COPLHBTASA-N 1 0 321.402 1.896 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH+]2CC([C@@H]3CCOC3)C2)c1 ZINC000373641290 307193521 /nfs/dbraw/zinc/19/35/21/307193521.db2.gz SAPXWOUKISEMND-DOMZBBRYSA-N 1 0 322.361 1.303 20 5 DDBDRO COC(=O)N1CC([NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000496075708 307325202 /nfs/dbraw/zinc/32/52/02/307325202.db2.gz HWBHWEQLOOFITM-NEPJUHHUSA-N 1 0 323.353 1.315 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CC3(O)CCCC3)CC2)cn1 ZINC000533463971 307639051 /nfs/dbraw/zinc/63/90/51/307639051.db2.gz UEGSOHSXDRUSPH-UHFFFAOYSA-N 1 0 306.366 1.417 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)n1 ZINC000563088761 307954308 /nfs/dbraw/zinc/95/43/08/307954308.db2.gz HQQAEVYMXNOVBB-AWEZNQCLSA-N 1 0 307.354 1.027 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@@H]2CCCC[C@H]2O)c1 ZINC000564977630 308015217 /nfs/dbraw/zinc/01/52/17/308015217.db2.gz HSSBOFYWJFDIFI-NWANDNLSSA-N 1 0 310.350 1.228 20 5 DDBDRO COCC[NH2+]C1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000567057554 308069725 /nfs/dbraw/zinc/06/97/25/308069725.db2.gz LUNPPZPXFSEFNX-UHFFFAOYSA-N 1 0 307.350 1.435 20 5 DDBDRO CCc1ccc(S(=O)(=O)N[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000569103400 308133238 /nfs/dbraw/zinc/13/32/38/308133238.db2.gz GIBWZSIUCUPUGW-LLVKDONJSA-N 1 0 313.379 1.188 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@@H](c3ccncc3)C2)c1 ZINC000570118845 308159634 /nfs/dbraw/zinc/15/96/34/308159634.db2.gz YWHNPMKLKOUCEF-UKRRQHHQSA-N 1 0 317.349 1.037 20 5 DDBDRO COc1ccc(CC(=O)N2CC[C@@](C)(C[NH3+])C2)cc1[N+](=O)[O-] ZINC000573597174 308246232 /nfs/dbraw/zinc/24/62/32/308246232.db2.gz YPWLKCVBSLJAEY-HNNXBMFYSA-N 1 0 307.350 1.343 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@@H]2CCc3ccccc32)c1 ZINC000576220013 308297765 /nfs/dbraw/zinc/29/77/65/308297765.db2.gz AFQGDVLSECLHPE-ZFWWWQNUSA-N 1 0 316.361 1.472 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)n1 ZINC000576762989 308338238 /nfs/dbraw/zinc/33/82/38/308338238.db2.gz KBQAZJFDCIZIRV-JTQLQIEISA-N 1 0 307.354 1.025 20 5 DDBDRO C[C@@H](CN1CCOCC1)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000577529765 308396487 /nfs/dbraw/zinc/39/64/87/308396487.db2.gz YZOQZTFUZDCTPP-SWLSCSKDSA-N 1 0 305.378 1.892 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000382417543 325744426 /nfs/dbraw/zinc/74/44/26/325744426.db2.gz IAIZNZHPOQDDRD-GHMZBOCLSA-N 1 0 313.379 1.451 20 5 DDBDRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000583370914 332366466 /nfs/dbraw/zinc/36/64/66/332366466.db2.gz GSHVLXZLUAFJBE-RISCZKNCSA-N 1 0 322.365 1.271 20 5 DDBDRO [NH3+]C[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000583811421 337336443 /nfs/dbraw/zinc/33/64/43/337336443.db2.gz ZYQKALVQOKLEMV-NSHDSACASA-N 1 0 314.345 1.954 20 5 DDBDRO Cc1c(CNC(=O)NCC[C@H]2CCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000418085166 533857380 /nfs/dbraw/zinc/85/73/80/533857380.db2.gz XDUZILOYXNPCDS-CYBMUJFWSA-N 1 0 306.366 1.845 20 5 DDBDRO COc1cc(C[NH2+][C@@H]2CCn3ccnc3C2)c([N+](=O)[O-])cc1O ZINC000494413620 533898995 /nfs/dbraw/zinc/89/89/95/533898995.db2.gz NKQJGFWZCAICSE-LLVKDONJSA-N 1 0 318.333 1.610 20 5 DDBDRO C[C@@H]1C[C@H](NC(=O)NCCc2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000417223074 533928067 /nfs/dbraw/zinc/92/80/67/533928067.db2.gz GDUUVIIXJLUDPQ-DGCLKSJQSA-N 1 0 306.366 1.577 20 5 DDBDRO COc1ccc(NC(=O)CC[N@H+](C)[C@@H]2CCOC2)c([N+](=O)[O-])c1 ZINC000299331996 534063636 /nfs/dbraw/zinc/06/36/36/534063636.db2.gz PWGGKHMRUMNOGT-LLVKDONJSA-N 1 0 323.349 1.653 20 5 DDBDRO C[C@@H]([NH3+])C1CCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000417238711 534288250 /nfs/dbraw/zinc/28/82/50/534288250.db2.gz YXBBJGRIBKZVML-GFCCVEGCSA-N 1 0 320.393 1.906 20 5 DDBDRO COC(=O)c1cnc(NC[C@@H]2CCC[C@@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000420282865 534306873 /nfs/dbraw/zinc/30/68/73/534306873.db2.gz NJZPPVXYKLVQHJ-MWLCHTKSSA-N 1 0 308.338 1.706 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H]1CCO[C@H]1C1CC1 ZINC000494453920 534339825 /nfs/dbraw/zinc/33/98/25/534339825.db2.gz KQVMHUHWKKSXTN-BBRMVZONSA-N 1 0 319.361 1.999 20 5 DDBDRO CC[NH2+]CCNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000236924412 519921154 /nfs/dbraw/zinc/92/11/54/519921154.db2.gz WOOVSYUBBVDYAS-UHFFFAOYSA-N 1 0 323.396 1.880 20 5 DDBDRO CC1(C)OCC[C@H]1[NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000451245530 527812482 /nfs/dbraw/zinc/81/24/82/527812482.db2.gz UCAXHKIRZGWGJN-UONOGXRCSA-N 1 0 319.361 1.857 20 5 DDBDRO CC(C)C[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1cnn(C)c1 ZINC000459587287 527944129 /nfs/dbraw/zinc/94/41/29/527944129.db2.gz FXEAPCVAMLARHH-UHFFFAOYSA-N 1 0 306.370 1.683 20 5 DDBDRO CCOc1cc(N2CC[N@H+](C[C@H](C)O)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000302456818 528310613 /nfs/dbraw/zinc/31/06/13/528310613.db2.gz QPDDJNDBRQPHQA-OLZOCXBDSA-N 1 0 323.393 1.885 20 5 DDBDRO CC[NH2+][C@H](C)CNS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000420430150 528420366 /nfs/dbraw/zinc/42/03/66/528420366.db2.gz CANYXUASNIQIKQ-LLVKDONJSA-N 1 0 315.395 1.055 20 5 DDBDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000457141265 529060451 /nfs/dbraw/zinc/06/04/51/529060451.db2.gz ZAOWVKSSWITJQI-GFCCVEGCSA-N 1 0 323.397 1.468 20 5 DDBDRO CC[C@H]1C[N@H+](CC)CCN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000451735509 529289805 /nfs/dbraw/zinc/28/98/05/529289805.db2.gz YHRAJKWSHVWHMP-ZDUSSCGKSA-N 1 0 320.393 1.949 20 5 DDBDRO C[N@@H+]1CCC[C@H](CNc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000736854502 598503940 /nfs/dbraw/zinc/50/39/40/598503940.db2.gz CYZJMABRABLCLL-SNVBAGLBSA-N 1 0 317.353 1.529 20 5 DDBDRO CC[NH+](CC)[C@H](C)CNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC000821182737 606698238 /nfs/dbraw/zinc/69/82/38/606698238.db2.gz YIVDQPWEVRIJMM-SECBINFHSA-N 1 0 320.357 1.312 20 5 DDBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000072501209 696394015 /nfs/dbraw/zinc/39/40/15/696394015.db2.gz FCFGLPDCEZTAIE-CYBMUJFWSA-N 1 0 320.393 1.875 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC[C@H](c3ccccn3)C2)c1 ZINC000799191555 700127431 /nfs/dbraw/zinc/12/74/31/700127431.db2.gz NAELIFJNSVYBRE-JSGCOSHPSA-N 1 0 317.349 1.037 20 5 DDBDRO CC(C)C(=O)NCC[N@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776596661 698124737 /nfs/dbraw/zinc/12/47/37/698124737.db2.gz HKDQJZHPLPYYDN-AWEZNQCLSA-N 1 0 309.366 1.332 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH+]2CCC(O)(C(F)F)CC2)cc1 ZINC000778309366 698259948 /nfs/dbraw/zinc/25/99/48/698259948.db2.gz UOICSLGXMDQLCS-GFCCVEGCSA-N 1 0 316.304 1.720 20 5 DDBDRO C[C@H](O)C[N@@H+]1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000800374541 700218819 /nfs/dbraw/zinc/21/88/19/700218819.db2.gz RTVUHMXMGJIIPE-WWGRRREGSA-N 1 0 323.393 1.015 20 5 DDBDRO C[C@@H](NC(=O)COC1CC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000262007253 698450300 /nfs/dbraw/zinc/45/03/00/698450300.db2.gz VZQMSSOXUYOQFK-LLVKDONJSA-N 1 0 307.350 1.541 20 5 DDBDRO COc1cc(C(=O)N[C@H](C[NH3+])C2CCCC2)ccc1[N+](=O)[O-] ZINC000262552015 698474397 /nfs/dbraw/zinc/47/43/97/698474397.db2.gz SORFLWCTEUNOCB-GFCCVEGCSA-N 1 0 307.350 1.851 20 5 DDBDRO O=C(COc1cccc([N+](=O)[O-])c1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000424031179 699147736 /nfs/dbraw/zinc/14/77/36/699147736.db2.gz SEKGTFPAFYYJIH-HNNXBMFYSA-N 1 0 305.334 1.328 20 5 DDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000786922549 699180126 /nfs/dbraw/zinc/18/01/26/699180126.db2.gz ISHQUXRFQVNLHJ-NSHDSACASA-N 1 0 304.350 1.391 20 5 DDBDRO COCC[NH2+]CCNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000702039699 699228204 /nfs/dbraw/zinc/22/82/04/699228204.db2.gz RHDHWOAPCCGWQP-UHFFFAOYSA-N 1 0 301.730 1.214 20 5 DDBDRO CC(C)[C@H](C[NH+](C)C)NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000733166144 699581748 /nfs/dbraw/zinc/58/17/48/699581748.db2.gz FTWPJMGTSRRJRP-ZDUSSCGKSA-N 1 0 308.382 1.709 20 5 DDBDRO CNC(=O)C1([NH2+]CCOc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000733999543 699631617 /nfs/dbraw/zinc/63/16/17/699631617.db2.gz PWKTXPKTHISZCZ-UHFFFAOYSA-N 1 0 307.350 1.622 20 5 DDBDRO C[NH+](C)CCCOC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000792088678 699674950 /nfs/dbraw/zinc/67/49/50/699674950.db2.gz PZNGVZFITCPBGY-UHFFFAOYSA-N 1 0 318.333 1.889 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)NCC[N@@H+]2CCC[C@@H]2C)c1 ZINC000742242478 699869928 /nfs/dbraw/zinc/86/99/28/699869928.db2.gz WDQZKQIIZDCWIT-NSHDSACASA-N 1 0 307.350 1.818 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000743869291 699929657 /nfs/dbraw/zinc/92/96/57/699929657.db2.gz NQRYSYHARXMQDH-LLVKDONJSA-N 1 0 309.370 1.090 20 5 DDBDRO Cc1nn(C[N@H+]2CCC[C@H]2C[C@@H](C)O)c2ncc([N+](=O)[O-])cc12 ZINC000752803522 700388743 /nfs/dbraw/zinc/38/87/43/700388743.db2.gz JNMLIZQRTPCRKH-PWSUYJOCSA-N 1 0 319.365 1.841 20 5 DDBDRO CC1(C2CC[NH+](CCn3cc([N+](=O)[O-])cn3)CC2)OCCO1 ZINC000760900783 700828456 /nfs/dbraw/zinc/82/84/56/700828456.db2.gz YBXPEXZTFJRCFK-UHFFFAOYSA-N 1 0 310.354 1.266 20 5 DDBDRO COc1cc(NC[C@]2(O)CC[N@H+](C)C2)c([N+](=O)[O-])cc1OC ZINC000762817210 700908470 /nfs/dbraw/zinc/90/84/70/700908470.db2.gz ZACHRROYHAFNEF-CQSZACIVSA-N 1 0 311.338 1.091 20 5 DDBDRO O=C(C[NH2+][C@@H](CO)C1CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000763069419 700924058 /nfs/dbraw/zinc/92/40/58/700924058.db2.gz OPFJADFVXNJETL-LBPRGKRZSA-N 1 0 313.741 1.547 20 5 DDBDRO Cc1c(NC(=O)[C@@H](C)[NH2+][C@H](CCO)C2CC2)cccc1[N+](=O)[O-] ZINC000771795214 701330781 /nfs/dbraw/zinc/33/07/81/701330781.db2.gz IQCBRAKWYRMEJJ-BXUZGUMPSA-N 1 0 321.377 1.981 20 5 DDBDRO O=C1[C@@H]([NH2+][C@H](CCO)C2CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000771802052 701331316 /nfs/dbraw/zinc/33/13/16/701331316.db2.gz MWTJAARTNYQMBS-CABCVRRESA-N 1 0 319.361 1.451 20 5 DDBDRO O=C(C[NH2+][C@H](CO)C1CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000771812085 701332312 /nfs/dbraw/zinc/33/23/12/701332312.db2.gz HHEPDTTVORDCGR-LLVKDONJSA-N 1 0 313.741 1.547 20 5 DDBDRO O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839649483 701766159 /nfs/dbraw/zinc/76/61/59/701766159.db2.gz KXMQDAHWEVVUBZ-BZUAXINKSA-N 1 0 317.389 1.332 20 5 DDBDRO CC1(C)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000839659367 701768681 /nfs/dbraw/zinc/76/86/81/701768681.db2.gz ZIFCQGGHIRGCCM-HUUCEWRRSA-N 1 0 317.389 1.775 20 5 DDBDRO C[C@@H](NC(=O)CN(C)c1ccccc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000868005482 701886753 /nfs/dbraw/zinc/88/67/53/701886753.db2.gz RCROEHNCEOZPLO-GFCCVEGCSA-N 1 0 320.393 1.535 20 5 DDBDRO COCCC1(NC(=O)c2cccc([N+](=O)[O-])c2C)CC[NH2+]CC1 ZINC000868039292 701905932 /nfs/dbraw/zinc/90/59/32/701905932.db2.gz SSSJLNIHQJLPCN-UHFFFAOYSA-N 1 0 321.377 1.792 20 5 DDBDRO CO[C@H]1CCN(Cn2c3cc([N+](=O)[O-])ccc3oc2=O)C[C@@H]1C ZINC000840121595 701981088 /nfs/dbraw/zinc/98/10/88/701981088.db2.gz AWGWMDUQEXIDBA-GWCFXTLKSA-N 1 0 321.333 1.817 20 5 DDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N(CC[NH+]1CCCCCC1)C1CCC1 ZINC000840460140 702117797 /nfs/dbraw/zinc/11/77/97/702117797.db2.gz MLTATZXMWIDAQK-HUUCEWRRSA-N 1 0 309.410 1.909 20 5 DDBDRO CN1CC[NH+](C2CCN(c3cccnc3[N+](=O)[O-])CC2)CC1 ZINC000866213103 706650745 /nfs/dbraw/zinc/65/07/45/706650745.db2.gz ZDAHHHWMQDVCIT-UHFFFAOYSA-N 1 0 305.382 1.206 20 5 DDBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCNC(=O)C1CC1 ZINC000866215832 706651403 /nfs/dbraw/zinc/65/14/03/706651403.db2.gz LYPPSMBTYGOFRN-JTQLQIEISA-N 1 0 309.341 1.781 20 5 DDBDRO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@@H](CO)[C@H]2CO)cc1 ZINC000879362268 706661343 /nfs/dbraw/zinc/66/13/43/706661343.db2.gz SRSHOBKTQVPKQU-SWLSCSKDSA-N 1 0 310.350 1.039 20 5 DDBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000817679648 702449042 /nfs/dbraw/zinc/44/90/42/702449042.db2.gz VENUOKWZJGOQBL-UONOGXRCSA-N 1 0 307.350 1.181 20 5 DDBDRO Cc1cc(C(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)c(N)c([N+](=O)[O-])c1 ZINC000818009610 702552483 /nfs/dbraw/zinc/55/24/83/702552483.db2.gz WNWZVJGZVYHNAR-MNOVXSKESA-N 1 0 306.366 1.542 20 5 DDBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000818015614 702554419 /nfs/dbraw/zinc/55/44/19/702554419.db2.gz WHPAWWUQLOAMDP-IEXSPKMKSA-N 1 0 301.346 1.963 20 5 DDBDRO Cc1c(C(=O)N[C@](C)(C[NH3+])C(C)C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000818522424 702658104 /nfs/dbraw/zinc/65/81/04/702658104.db2.gz TVMHMARFFFXISJ-CQSZACIVSA-N 1 0 324.337 1.915 20 5 DDBDRO O=C(O[C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000842334523 702705223 /nfs/dbraw/zinc/70/52/23/702705223.db2.gz YEYJABGMGGAVLZ-RRFJBIMHSA-N 1 0 304.346 1.859 20 5 DDBDRO [NH3+]C[C@H]1CN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CCCO1 ZINC000842509111 702729595 /nfs/dbraw/zinc/72/95/95/702729595.db2.gz HMYZJZJZONQKML-JTQLQIEISA-N 1 0 313.741 1.438 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@H](C)CC[NH3+])c1 ZINC000842790780 702774186 /nfs/dbraw/zinc/77/41/86/702774186.db2.gz NBSONHLCALXUSS-MRVPVSSYSA-N 1 0 321.786 1.572 20 5 DDBDRO C[C@@H](NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])[C@H](C)[NH3+] ZINC000842883132 702787015 /nfs/dbraw/zinc/78/70/15/702787015.db2.gz AXUVFYSDOKLPRE-NKWVEPMBSA-N 1 0 307.759 1.262 20 5 DDBDRO Cc1cc(S(=O)(=O)N(C)C2CC([NH3+])C2)cc([N+](=O)[O-])c1F ZINC000842885948 702787276 /nfs/dbraw/zinc/78/72/76/702787276.db2.gz DZTDXSVKKHZUGN-UHFFFAOYSA-N 1 0 317.342 1.153 20 5 DDBDRO Cc1nn(C)c(-c2nc(CC3CC[NH2+]CC3)no2)c1[N+](=O)[O-] ZINC000843135208 702826493 /nfs/dbraw/zinc/82/64/93/702826493.db2.gz OZLWLOICBWGJOP-UHFFFAOYSA-N 1 0 306.326 1.229 20 5 DDBDRO COc1cc(Cc2noc(CCCC[NH3+])n2)ccc1[N+](=O)[O-] ZINC000843191058 702837965 /nfs/dbraw/zinc/83/79/65/702837965.db2.gz BBOYIHKMEMQICM-UHFFFAOYSA-N 1 0 306.322 1.859 20 5 DDBDRO O=[N+]([O-])c1ccc(-c2noc(C[C@@H]3CSCC[NH2+]3)n2)s1 ZINC000843218893 702844071 /nfs/dbraw/zinc/84/40/71/702844071.db2.gz JGBYCBAASNQBHL-SSDOTTSWSA-N 1 0 312.376 1.954 20 5 DDBDRO C[C@H](C[NH3+])N(C)C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000843345116 702863345 /nfs/dbraw/zinc/86/33/45/702863345.db2.gz UECGTOIUTJLHKN-SSDOTTSWSA-N 1 0 303.721 1.735 20 5 DDBDRO C[C@@H](C[NH3+])NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000843470046 702888032 /nfs/dbraw/zinc/88/80/32/702888032.db2.gz OWZQBLVXXHQHHL-NSHDSACASA-N 1 0 306.366 1.275 20 5 DDBDRO O=C(c1cc(F)ccc1[N+](=O)[O-])N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000843473044 702888934 /nfs/dbraw/zinc/88/89/34/702888934.db2.gz FXBODSVGFIRUAV-HNNXBMFYSA-N 1 0 307.325 1.950 20 5 DDBDRO CN1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[C@@H](Cc2ccccc2)C1 ZINC000844922707 703085659 /nfs/dbraw/zinc/08/56/59/703085659.db2.gz CVKYODBXSASHGF-RRFJBIMHSA-N 1 0 303.362 1.037 20 5 DDBDRO C[C@H](CNC(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000848580631 703565170 /nfs/dbraw/zinc/56/51/70/703565170.db2.gz CBRQNIIDNCJIKW-SECBINFHSA-N 1 0 317.292 1.633 20 5 DDBDRO C[C@H](NC(=O)N[C@@H](C[NH3+])C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000848598640 703568047 /nfs/dbraw/zinc/56/80/47/703568047.db2.gz OKMPXEJBHZZXAT-XVKPBYJWSA-N 1 0 320.271 1.845 20 5 DDBDRO CCO[C@@H](CNC(=O)CCc1cccc([N+](=O)[O-])c1)C[NH+](C)C ZINC000831739761 706767899 /nfs/dbraw/zinc/76/78/99/706767899.db2.gz XIARLEHEXWNQFJ-HNNXBMFYSA-N 1 0 323.393 1.610 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000866719768 706775333 /nfs/dbraw/zinc/77/53/33/706775333.db2.gz CXEZKNNSBATZOY-LSDHHAIUSA-N 1 0 318.377 1.668 20 5 DDBDRO Cc1cc(F)cc(C(=O)N[C@@H]2CC23CC[NH2+]CC3)c1[N+](=O)[O-] ZINC000818603665 703937073 /nfs/dbraw/zinc/93/70/73/703937073.db2.gz IHSMUJJNZIIOCH-GFCCVEGCSA-N 1 0 307.325 1.914 20 5 DDBDRO COC[C@]1(C(=O)N2CCc3cc(C)c([N+](=O)[O-])cc32)CC[NH2+]C1 ZINC000818608403 703939089 /nfs/dbraw/zinc/93/90/89/703939089.db2.gz CEQZLDSADXADNW-INIZCTEOSA-N 1 0 319.361 1.418 20 5 DDBDRO CC(C)(C)C(=O)NCC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000818989901 704044454 /nfs/dbraw/zinc/04/44/54/704044454.db2.gz QYHSTLKVGXKHTB-CYBMUJFWSA-N 1 0 309.366 1.380 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CCCOC2CCOCC2)cc1 ZINC000819101424 704069799 /nfs/dbraw/zinc/06/97/99/704069799.db2.gz UELYNAKDTSPWML-INIZCTEOSA-N 1 0 324.377 1.804 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]Cc2cccc(F)n2)c1 ZINC000819184126 704082749 /nfs/dbraw/zinc/08/27/49/704082749.db2.gz BIEJZACJCRMDFU-ZDUSSCGKSA-N 1 0 321.308 1.658 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]Cc2cccnc2F)c1 ZINC000819276284 704099491 /nfs/dbraw/zinc/09/94/91/704099491.db2.gz HGVCBFSAQLRSCD-ZDUSSCGKSA-N 1 0 321.308 1.658 20 5 DDBDRO C[C@H](Cc1cnn(C)c1)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819353139 704111816 /nfs/dbraw/zinc/11/18/16/704111816.db2.gz MIJWPPPUZMZNME-ABAIWWIYSA-N 1 0 304.350 1.583 20 5 DDBDRO COc1cccnc1C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819356145 704112352 /nfs/dbraw/zinc/11/23/52/704112352.db2.gz ASGGSBIWORZHNO-CQSZACIVSA-N 1 0 303.318 1.822 20 5 DDBDRO Cc1cc(C(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)c(N)c([N+](=O)[O-])c1 ZINC000819719284 704164467 /nfs/dbraw/zinc/16/44/67/704164467.db2.gz RHVHFRTZZHTNFB-SMDDNHRTSA-N 1 0 318.377 1.652 20 5 DDBDRO C[N@@H+]1CCN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CCC1(C)C ZINC000871157340 704233960 /nfs/dbraw/zinc/23/39/60/704233960.db2.gz LTKPCXCQNAHSMK-CQSZACIVSA-N 1 0 321.377 1.571 20 5 DDBDRO [NH3+][C@@H]1CCCN(C(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000857762944 704621702 /nfs/dbraw/zinc/62/17/02/704621702.db2.gz JHPCNJYLQNEFOG-SECBINFHSA-N 1 0 315.276 1.516 20 5 DDBDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000867188240 706918772 /nfs/dbraw/zinc/91/87/72/706918772.db2.gz WEFPIJJBOZJQGQ-WDEREUQCSA-N 1 0 309.341 1.827 20 5 DDBDRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000874834286 705192176 /nfs/dbraw/zinc/19/21/76/705192176.db2.gz QUSLQUKNTWVUOJ-WDEREUQCSA-N 1 0 306.322 1.004 20 5 DDBDRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)c1cccc([N+](=O)[O-])c1N ZINC000874836916 705193672 /nfs/dbraw/zinc/19/36/72/705193672.db2.gz IDKKXSPBGAGTDT-RYUDHWBXSA-N 1 0 304.350 1.486 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3C)c1[N+](=O)[O-] ZINC000874839961 705196072 /nfs/dbraw/zinc/19/60/72/705196072.db2.gz YOHLHBPDTOZNQS-QWRGUYRKSA-N 1 0 321.381 1.750 20 5 DDBDRO C[C@H]1CCCC[N@@H+]1CCNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825099415 705599495 /nfs/dbraw/zinc/59/94/95/705599495.db2.gz ZCLTXVLJADWJHE-WFASDCNBSA-N 1 0 321.377 1.619 20 5 DDBDRO O=C(/C=C/[C@@H]1CCC[NH2+]C1)NCCc1ccc([N+](=O)[O-])cc1 ZINC000876613493 705784210 /nfs/dbraw/zinc/78/42/10/705784210.db2.gz PWHIAQWLMDPUBQ-GPAKFWEMSA-N 1 0 303.362 1.809 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@@H]3COCCN3)CC2)cc1 ZINC000863545487 705953829 /nfs/dbraw/zinc/95/38/29/705953829.db2.gz TVWIVXPCZLTUCU-CQSZACIVSA-N 1 0 320.393 1.142 20 5 DDBDRO C[N@@H+]1CC[C@H]2CN(C(=O)Cc3ccc(F)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000827231535 705956207 /nfs/dbraw/zinc/95/62/07/705956207.db2.gz HIHXYACCLVHVAP-JSGCOSHPSA-N 1 0 321.352 1.829 20 5 DDBDRO CNc1nccc(C(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000827252913 705960511 /nfs/dbraw/zinc/96/05/11/705960511.db2.gz ALTDZYPUZWNRQK-PWSUYJOCSA-N 1 0 319.365 1.198 20 5 DDBDRO C[N@@H+]1CC[C@H]2CN(C(=O)COc3ccccc3[N+](=O)[O-])CC[C@H]21 ZINC000827374768 705988675 /nfs/dbraw/zinc/98/86/75/705988675.db2.gz PUIPHAFKSICHDQ-QWHCGFSZSA-N 1 0 319.361 1.526 20 5 DDBDRO CC(C)[N@@H+]1CCO[C@@H](COC(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000835298519 707217423 /nfs/dbraw/zinc/21/74/23/707217423.db2.gz VUKQEINRPZLLRJ-GFCCVEGCSA-N 1 0 302.371 1.474 20 5 DDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000877245462 706031512 /nfs/dbraw/zinc/03/15/12/706031512.db2.gz HZFKGONCEZNJBT-BTTYYORXSA-N 1 0 303.362 1.784 20 5 DDBDRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)COc1cccc([N+](=O)[O-])c1)C2 ZINC000877379461 706086838 /nfs/dbraw/zinc/08/68/38/706086838.db2.gz RRYOZZGJSRYFNF-XHDPSFHLSA-N 1 0 305.334 1.042 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000877394943 706094138 /nfs/dbraw/zinc/09/41/38/706094138.db2.gz XRTAZRSAYRYVDD-HIFRSBDPSA-N 1 0 323.324 1.514 20 5 DDBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000877399426 706096372 /nfs/dbraw/zinc/09/63/72/706096372.db2.gz RJVHUGISDZYHKI-GDBMZVCRSA-N 1 0 318.377 1.798 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000828383731 706169945 /nfs/dbraw/zinc/16/99/45/706169945.db2.gz NSABGTITLNPPJD-UHFFFAOYSA-N 1 0 323.397 1.479 20 5 DDBDRO CC(C)[C@H](O)CC[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000877918635 706240966 /nfs/dbraw/zinc/24/09/66/706240966.db2.gz UJCOGMLPIIVXPN-CQSZACIVSA-N 1 0 308.382 1.519 20 5 DDBDRO C[C@@H](NC(=O)COC1CC[NH+](C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000830071124 706448841 /nfs/dbraw/zinc/44/88/41/706448841.db2.gz ORDMBUNHTPOZNV-GFCCVEGCSA-N 1 0 321.377 1.883 20 5 DDBDRO O=[N+]([O-])c1c(F)nccc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000882059361 707481960 /nfs/dbraw/zinc/48/19/60/707481960.db2.gz JBJNGYMHYLVUPX-NSHDSACASA-N 1 0 310.329 1.287 20 5 DDBDRO Cc1ccc(CN2CCC[C@](O)(C[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000878866739 706519594 /nfs/dbraw/zinc/51/95/94/706519594.db2.gz WGIIZJFBHWHGFB-INIZCTEOSA-N 1 0 307.394 1.792 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(N2CCOC2=O)CC1 ZINC000878997289 706557548 /nfs/dbraw/zinc/55/75/48/706557548.db2.gz YLCUYDFGFYGBIP-UHFFFAOYSA-N 1 0 323.353 1.016 20 5 DDBDRO O=C1CCc2cc([N+](=O)[O-])c(N3CC([NH+]4CCCC4)C3)cc2N1 ZINC000865937234 706570024 /nfs/dbraw/zinc/57/00/24/706570024.db2.gz MSTWPYHEHONKJT-UHFFFAOYSA-N 1 0 316.361 1.764 20 5 DDBDRO CC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000834640626 707097402 /nfs/dbraw/zinc/09/74/02/707097402.db2.gz AFTRTEYTOXUBLX-TVQRCGJNSA-N 1 0 322.321 1.702 20 5 DDBDRO C[NH+](C)CCc1cn(Cc2cc(Cl)ccc2[N+](=O)[O-])nn1 ZINC000881352161 707208868 /nfs/dbraw/zinc/20/88/68/707208868.db2.gz CBQDJDINEKJISI-UHFFFAOYSA-N 1 0 309.757 1.992 20 5 DDBDRO C[NH+](C)CCc1cn(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)nn1 ZINC000881398421 707235486 /nfs/dbraw/zinc/23/54/86/707235486.db2.gz SHYYAHZMLBMJEZ-CQSZACIVSA-N 1 0 305.338 1.024 20 5 DDBDRO COC[C@@H](C)OC[C@H](O)C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000872249514 707348952 /nfs/dbraw/zinc/34/89/52/707348952.db2.gz WKHUCHBOKGRWHE-JHJVBQTASA-N 1 0 312.366 1.658 20 5 DDBDRO C[C@@H]([NH2+][C@@H]1CCc2nnn(C)c2C1)c1cccc([N+](=O)[O-])c1 ZINC000927147841 712947279 /nfs/dbraw/zinc/94/72/79/712947279.db2.gz RSTGYFXRQWSPFN-ZYHUDNBSSA-N 1 0 301.350 1.931 20 5 DDBDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000837188358 707594498 /nfs/dbraw/zinc/59/44/98/707594498.db2.gz DYPQRCQZBDTDOS-JTQLQIEISA-N 1 0 324.356 1.871 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCN(CC34CC(C3)C[NH2+]4)CC2)cc1 ZINC000873201819 707765340 /nfs/dbraw/zinc/76/53/40/707765340.db2.gz YDYFBMDLETWRLZ-UHFFFAOYSA-N 1 0 302.378 1.469 20 5 DDBDRO Cc1cc(C(=O)NCC[C@H]2CCC[N@@H+](C)C2)c(N)c([N+](=O)[O-])c1 ZINC000838145137 707854564 /nfs/dbraw/zinc/85/45/64/707854564.db2.gz VHZMXFXUDSXNGC-GFCCVEGCSA-N 1 0 320.393 1.947 20 5 DDBDRO CCc1ccc([C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000839461509 708049168 /nfs/dbraw/zinc/04/91/68/708049168.db2.gz ANFDRSZNOGURLM-KFWWJZLASA-N 1 0 305.378 1.633 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCCCN2CC[NH2+]CC2)c1C ZINC000884005344 708098952 /nfs/dbraw/zinc/09/89/52/708098952.db2.gz DHCQLZAAWIUKFJ-UHFFFAOYSA-N 1 0 320.393 1.237 20 5 DDBDRO COc1c(O)ccc(C[NH2+]C[C@@H]2C=C[C@H]3C[C@@H]2CO3)c1[N+](=O)[O-] ZINC000896851427 708164730 /nfs/dbraw/zinc/16/47/30/708164730.db2.gz UPXAFWTVJCOGJX-UHTWSYAYSA-N 1 0 320.345 1.990 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)c1C ZINC000884290760 708228834 /nfs/dbraw/zinc/22/88/34/708228834.db2.gz IOTWZYBHDMRYPD-STQMWFEESA-N 1 0 303.362 1.893 20 5 DDBDRO CN(CC[N@H+](C)CCO)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000912606065 713045747 /nfs/dbraw/zinc/04/57/47/713045747.db2.gz JDXGQSGNERELRN-UHFFFAOYSA-N 1 0 315.757 1.244 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@H]2CCOC3(CCOCC3)C2)c1 ZINC000886026259 708683693 /nfs/dbraw/zinc/68/36/93/708683693.db2.gz RTAXLVZWLNSIAP-LBPRGKRZSA-N 1 0 310.354 1.109 20 5 DDBDRO O=C1C[C@@H]([C@H]2CCCC[N@H+]2Cc2cccnc2[N+](=O)[O-])CN1 ZINC000886098676 708698057 /nfs/dbraw/zinc/69/80/57/708698057.db2.gz PKHFKEMSRIYGQE-CHWSQXEVSA-N 1 0 304.350 1.480 20 5 DDBDRO CN(CC[N@H+](C)CCO)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000912610451 713048841 /nfs/dbraw/zinc/04/88/41/713048841.db2.gz QNGUVNPQXYDXNS-UHFFFAOYSA-N 1 0 315.757 1.244 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[N@@H+](C)C[C@@H]1CC(C)C ZINC000886602163 708791213 /nfs/dbraw/zinc/79/12/13/708791213.db2.gz LCVJREXQFSTCEI-ZDUSSCGKSA-N 1 0 323.397 1.288 20 5 DDBDRO CC1(C)C[C@H]([NH2+]CCN2CCNC2=O)c2cc([N+](=O)[O-])ccc21 ZINC000886744649 708833175 /nfs/dbraw/zinc/83/31/75/708833175.db2.gz COFKMUHNDCSVOR-AWEZNQCLSA-N 1 0 318.377 1.932 20 5 DDBDRO C[NH+](C)C[C@@H]1NC(=O)N(c2ccc([N+](=O)[O-])cc2Cl)C1=O ZINC000899304769 709051638 /nfs/dbraw/zinc/05/16/38/709051638.db2.gz DJSFOPRVRNAOSP-VIFPVBQESA-N 1 0 312.713 1.235 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCN(C)CC[N@@H+](C)CC1 ZINC000888992287 709425474 /nfs/dbraw/zinc/42/54/74/709425474.db2.gz FHNDYIVZDYZQKN-UHFFFAOYSA-N 1 0 320.393 1.223 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912920453 713124457 /nfs/dbraw/zinc/12/44/57/713124457.db2.gz WDYILHNQYWYRDE-LLVKDONJSA-N 1 0 323.324 1.419 20 5 DDBDRO C[C@@H](NC(=O)c1c(F)cccc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCN1C ZINC000900807972 709769313 /nfs/dbraw/zinc/76/93/13/709769313.db2.gz XMSLQNVDPQEXSA-MFKMUULPSA-N 1 0 324.356 1.098 20 5 DDBDRO O=[N+]([O-])c1c2nonc2ccc1N1CC[C@H]([NH+]2CCCC2)C1 ZINC000892285979 710409980 /nfs/dbraw/zinc/40/99/80/710409980.db2.gz BVXOZPBKZQUVGM-JTQLQIEISA-N 1 0 303.322 1.806 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1NCC1([NH+]2CCCC2)CCOCC1 ZINC000892341276 710420308 /nfs/dbraw/zinc/42/03/08/710420308.db2.gz YWSVMODREFKMSD-UHFFFAOYSA-N 1 0 309.370 1.385 20 5 DDBDRO C[N@H+]1C[C@H]2CN(C(=O)NCCc3ccccc3[N+](=O)[O-])C[C@H]2C1 ZINC000893264037 710582474 /nfs/dbraw/zinc/58/24/74/710582474.db2.gz BDGGRMJXCSNDBN-OKILXGFUSA-N 1 0 318.377 1.340 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)N2CCC(C)([NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000913394502 713207865 /nfs/dbraw/zinc/20/78/65/713207865.db2.gz FQYPMCWSEMVIFN-UHFFFAOYSA-N 1 0 323.397 1.998 20 5 DDBDRO COc1ccc(CC(=O)N[C@@H]2CC[N@H+](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000928451245 713202584 /nfs/dbraw/zinc/20/25/84/713202584.db2.gz VIRSIIPMANSJNQ-CMPLNLGQSA-N 1 0 307.350 1.355 20 5 DDBDRO O=C(CCc1cc(F)ccc1[N+](=O)[O-])NC[C@@H]1CCCC[NH2+]1 ZINC000911714345 710944958 /nfs/dbraw/zinc/94/49/58/710944958.db2.gz PCDTZBMCJKUYDW-ZDUSSCGKSA-N 1 0 309.341 1.925 20 5 DDBDRO C[NH2+][C@H]1CCCN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000911737663 710958781 /nfs/dbraw/zinc/95/87/81/710958781.db2.gz YEMHMGAIOIXBPR-ZDUSSCGKSA-N 1 0 309.341 1.877 20 5 DDBDRO COc1cc([C@@H](C)NC[C@H](O)C[NH+]2CCCC2)cc([N+](=O)[O-])c1 ZINC000903076271 711025428 /nfs/dbraw/zinc/02/54/28/711025428.db2.gz MJOGSNOXBMWZDP-DOMZBBRYSA-N 1 0 323.393 1.711 20 5 DDBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CCN1C ZINC000903322317 711096639 /nfs/dbraw/zinc/09/66/39/711096639.db2.gz IBWAFZILHQFLEC-RISCZKNCSA-N 1 0 306.366 1.606 20 5 DDBDRO CCC(=O)c1ccc(N(C)CC[N@H+](C)CCO)c([N+](=O)[O-])c1 ZINC000894590607 711198309 /nfs/dbraw/zinc/19/83/09/711198309.db2.gz JTMHOLWALQHPML-UHFFFAOYSA-N 1 0 309.366 1.548 20 5 DDBDRO C[NH+](C)C[C@]1(O)CCN(c2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000895010841 711366009 /nfs/dbraw/zinc/36/60/09/711366009.db2.gz WHLFWKVOCMAZBE-MRXNPFEDSA-N 1 0 316.361 1.646 20 5 DDBDRO CNC(=O)c1ccc(N2[C@@H]3CC[C@H]2C[N@H+](C)CC3)c([N+](=O)[O-])c1 ZINC000895192662 711449536 /nfs/dbraw/zinc/44/95/36/711449536.db2.gz KCCFQFAFPUVSII-OLZOCXBDSA-N 1 0 318.377 1.627 20 5 DDBDRO C[C@@H](Nc1nc2ccccn2c1[N+](=O)[O-])[C@H]1C[N@H+](C)CCN1C ZINC000895249675 711466026 /nfs/dbraw/zinc/46/60/26/711466026.db2.gz WOFKARMZULHBHF-VXGBXAGGSA-N 1 0 318.381 1.289 20 5 DDBDRO C[C@H]1[C@H](Nc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)CC[N@@H+]1C ZINC000895735270 711590197 /nfs/dbraw/zinc/59/01/97/711590197.db2.gz CBRDJOPBCDHFMI-NKWVEPMBSA-N 1 0 307.276 1.852 20 5 DDBDRO Cc1ccc(C[NH2+][C@@H](C)[C@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000895832353 711619977 /nfs/dbraw/zinc/61/99/77/711619977.db2.gz GFCAZYUHWCIHIK-AAEUAGOBSA-N 1 0 312.391 1.816 20 5 DDBDRO COc1cc(Cl)c(C)cc1NC(=O)CC[NH2+]CC[N+](=O)[O-] ZINC000905149659 711952016 /nfs/dbraw/zinc/95/20/16/711952016.db2.gz UCMHZHWSXTZKIN-UHFFFAOYSA-N 1 0 315.757 1.852 20 5 DDBDRO CC(C)O[C@]1(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCOC1 ZINC000905557450 712076962 /nfs/dbraw/zinc/07/69/62/712076962.db2.gz OGSFVBQKZXITDE-CVEARBPZSA-N 1 0 324.377 1.802 20 5 DDBDRO C[NH+](C)CCONC(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC000908528483 712798593 /nfs/dbraw/zinc/79/85/93/712798593.db2.gz SKTSGTNSUOCZGS-UHFFFAOYSA-N 1 0 315.757 1.790 20 5 DDBDRO CC(C)[C@H](C[NH+](C)C)NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000915625273 713425246 /nfs/dbraw/zinc/42/52/46/713425246.db2.gz RLJYUCLANQCAEM-LBPRGKRZSA-N 1 0 309.366 1.676 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N[C@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000918395946 713541557 /nfs/dbraw/zinc/54/15/57/713541557.db2.gz VXPQYEYIZQAUCL-NSHDSACASA-N 1 0 322.321 1.635 20 5 DDBDRO C[C@@H](O)[C@@H](O)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000929750667 713682339 /nfs/dbraw/zinc/68/23/39/713682339.db2.gz WKNZCSMRERTLMF-ABAIWWIYSA-N 1 0 310.350 1.180 20 5 DDBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000931043707 713989418 /nfs/dbraw/zinc/98/94/18/713989418.db2.gz RMDLRZCPRIZZNO-INWMFGNUSA-N 1 0 323.393 1.359 20 5 DDBDRO C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC000931439820 714098611 /nfs/dbraw/zinc/09/86/11/714098611.db2.gz ONZCVWNFGRTWCP-IJEWVQPXSA-N 1 0 305.378 1.512 20 5 DDBDRO C[N@@H+]1C[C@H]2CCN(C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000931609185 714138029 /nfs/dbraw/zinc/13/80/29/714138029.db2.gz DDQFAIYHSHJTTG-RNCFNFMXSA-N 1 0 308.313 1.902 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000931720608 714169031 /nfs/dbraw/zinc/16/90/31/714169031.db2.gz SYWPOAHYXFCAEG-IMJJTQAJSA-N 1 0 305.378 1.797 20 5 DDBDRO COc1ccc(C[NH2+][C@H]2C[C@@H](O)C23CCOCC3)cc1[N+](=O)[O-] ZINC000923022274 714216386 /nfs/dbraw/zinc/21/63/86/714216386.db2.gz YKWVUXIMDXIEHQ-LSDHHAIUSA-N 1 0 322.361 1.623 20 5 DDBDRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000923370497 714331150 /nfs/dbraw/zinc/33/11/50/714331150.db2.gz PHLSTBNHCOKJCQ-UNIGVISCSA-N 1 0 323.393 1.311 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC[C@@]2(CCC[NH2+]2)C1 ZINC000923382439 714335737 /nfs/dbraw/zinc/33/57/37/714335737.db2.gz YUIGCLXFOQPYRB-CJNGLKHVSA-N 1 0 321.377 1.162 20 5 DDBDRO O=[N+]([O-])c1ccc(OCCN2CCC[C@@H]([NH2+]CCO)C2)cc1 ZINC000923402864 714343826 /nfs/dbraw/zinc/34/38/26/714343826.db2.gz ATYFMKHLLXUHGJ-CYBMUJFWSA-N 1 0 309.366 1.020 20 5 DDBDRO COC(=O)[C@@H]1CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000933171383 714527237 /nfs/dbraw/zinc/52/72/37/714527237.db2.gz STKQZOXRRYPUAP-KYOSRNDESA-N 1 0 322.361 1.902 20 5 DDBDRO C[N@@H+]1C[C@@H]2CN(CC(=O)Nc3ccccc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000933737577 714659340 /nfs/dbraw/zinc/65/93/40/714659340.db2.gz BGSLKPLPROIBOM-WBMJQRKESA-N 1 0 318.377 1.417 20 5 DDBDRO CO[C@@H]1CC[C@H]1[N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000934117983 714746186 /nfs/dbraw/zinc/74/61/86/714746186.db2.gz QWTYMKBEIMBFFC-OUCADQQQSA-N 1 0 310.350 1.444 20 5 DDBDRO O=C1CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CCCCCN1 ZINC000934156288 714756872 /nfs/dbraw/zinc/75/68/72/714756872.db2.gz CEFLBPNGFJHNTK-HNNXBMFYSA-N 1 0 321.377 1.620 20 5 DDBDRO Cn1cc(C[N@@H+]2CC[C@@H](Cc3nccs3)C2)c([N+](=O)[O-])n1 ZINC000934329821 714796597 /nfs/dbraw/zinc/79/65/97/714796597.db2.gz UGRYKKDACKQZFH-JTQLQIEISA-N 1 0 307.379 1.849 20 5 DDBDRO C[NH+](C)CCOCCNC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000935260563 715014682 /nfs/dbraw/zinc/01/46/82/715014682.db2.gz RTTSDSFCGAXXCP-CABCVRRESA-N 1 0 321.377 1.393 20 5 DDBDRO CC[C@H]1C[N@H+](C)CCCN1C(=O)Cn1c(C)ncc1[N+](=O)[O-] ZINC000935779422 715127999 /nfs/dbraw/zinc/12/79/99/715127999.db2.gz YISRWQHOACKXLS-LBPRGKRZSA-N 1 0 309.370 1.042 20 5 DDBDRO O=[N+]([O-])c1ccc2c(ccnc2N2CCN3CC[NH2+]C[C@@H]3C2)c1 ZINC001164400339 718843853 /nfs/dbraw/zinc/84/38/53/718843853.db2.gz WXHRYGRDSRNPFW-CQSZACIVSA-N 1 0 313.361 1.237 20 5 DDBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)c1cnon1 ZINC001022871507 734844285 /nfs/dbraw/zinc/84/42/85/734844285.db2.gz XANHKRFZPGFTDU-PHIMTYICSA-N 1 0 317.305 1.028 20 5 DDBDRO O=C(Cc1ccoc1)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001126131471 738365916 /nfs/dbraw/zinc/36/59/16/738365916.db2.gz XSGHWLKYXQFGBZ-UHFFFAOYSA-N 1 0 303.318 1.636 20 5 DDBDRO Nc1cc[nH+]c2c1CN(c1nc3ccccn3c1[N+](=O)[O-])CC2 ZINC001186888313 744460409 /nfs/dbraw/zinc/46/04/09/744460409.db2.gz IUTCEMZZLYOLQI-UHFFFAOYSA-N 1 0 310.317 1.782 20 5 DDBDRO CC(C)c1nccn1CCNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC001187670100 744589464 /nfs/dbraw/zinc/58/94/64/744589464.db2.gz XSLSMMGIPONXFE-UHFFFAOYSA-N 1 0 318.337 1.521 20 5 DDBDRO CS[C@@H]1CC[C@H]([N@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001116150369 752112707 /nfs/dbraw/zinc/11/27/07/752112707.db2.gz NSIRQVHNMORPOP-WCFLWFBJSA-N 1 0 314.411 1.368 20 5 DDBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@H]2COC3(CCOCC3)O2)c1 ZINC001201676331 748566081 /nfs/dbraw/zinc/56/60/81/748566081.db2.gz OLEPLZOYFUICNB-AWEZNQCLSA-N 1 0 308.334 1.607 20 5 DDBDRO CC[NH+](CC)CC(=O)NC/C=C\CNc1ccc([N+](=O)[O-])cn1 ZINC001107205223 749588920 /nfs/dbraw/zinc/58/89/20/749588920.db2.gz YDDKHGNCIAODAE-WAYWQWQTSA-N 1 0 321.381 1.416 20 5 DDBDRO C[NH+](C)CCCC(=O)NC/C=C/CNc1ncccc1[N+](=O)[O-] ZINC001107473829 750006894 /nfs/dbraw/zinc/00/68/94/750006894.db2.gz GIQMAVQEAKCFLJ-ONEGZZNKSA-N 1 0 321.381 1.416 20 5 DDBDRO CCOC(=O)c1cc(-n2cc(CC[NH3+])cn2)ccc1[N+](=O)[O-] ZINC001168952548 762141204 /nfs/dbraw/zinc/14/12/04/762141204.db2.gz LDUNYYBLFBRKRJ-UHFFFAOYSA-N 1 0 304.306 1.458 20 5 DDBDRO O=C1CCC2(CCC(C[NH2+][C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)N1 ZINC001168977967 762147125 /nfs/dbraw/zinc/14/71/25/762147125.db2.gz NGWPMANSJRVYFB-MYMJJRTCSA-N 1 0 309.410 1.860 20 5 DDBDRO Cc1nc(CC[NH3+])nn1-c1ccc2cc(F)cc([N+](=O)[O-])c2n1 ZINC001168985797 762152957 /nfs/dbraw/zinc/15/29/57/762152957.db2.gz JPMRWCOZLCONLU-UHFFFAOYSA-N 1 0 316.296 1.672 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2cc(Br)no2)C1 ZINC001168968349 762158195 /nfs/dbraw/zinc/15/81/95/762158195.db2.gz XXMMJJLCUPAXQR-HTQZYQBOSA-N 1 0 304.144 1.972 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C[C@H](O)COCc2ccccc2)C1 ZINC001168966623 762158417 /nfs/dbraw/zinc/15/84/17/762158417.db2.gz KBPFBDNEWDNEIK-PMPSAXMXSA-N 1 0 308.378 1.599 20 5 DDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2cc(OC3COC3)ccn2)C1 ZINC001168975803 762164657 /nfs/dbraw/zinc/16/46/57/762164657.db2.gz XHKCXDMLWRSHTK-NWDGAFQWSA-N 1 0 307.350 1.394 20 5 DDBDRO O=C(N[C@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1)C1CC1 ZINC001168997876 762169481 /nfs/dbraw/zinc/16/94/81/762169481.db2.gz GCROBWZZWRJODV-NMFUWQPSSA-N 1 0 309.410 1.859 20 5 DDBDRO CCC1([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CCS(=O)(=O)CC1 ZINC001168998646 762170504 /nfs/dbraw/zinc/17/05/04/762170504.db2.gz PGVRRUBMTDEQDE-VXGBXAGGSA-N 1 0 304.412 1.379 20 5 DDBDRO COC(=O)[C@H]1C2CCC(CC2)[C@@H]1[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169001246 762172609 /nfs/dbraw/zinc/17/26/09/762172609.db2.gz DXSVZDZGDRFSPP-VGSJJWBYSA-N 1 0 310.394 1.999 20 5 DDBDRO NC(=O)c1ccccc1OCC[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168986985 762179842 /nfs/dbraw/zinc/17/98/42/762179842.db2.gz GVWFIXSFOHTLDA-VXGBXAGGSA-N 1 0 307.350 1.199 20 5 DDBDRO COC(=O)Cc1ccc(-n2c(C)cnc2C[NH3+])cc1[N+](=O)[O-] ZINC001169029548 762186276 /nfs/dbraw/zinc/18/62/76/762186276.db2.gz VGWCNQOIMOKRFI-UHFFFAOYSA-N 1 0 304.306 1.263 20 5 DDBDRO COc1cccnc1N1CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169040191 762194815 /nfs/dbraw/zinc/19/48/15/762194815.db2.gz YPIAALPEGWSNQR-KGLIPLIRSA-N 1 0 320.393 1.658 20 5 DDBDRO CCNC(=O)COC1CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169051321 762206853 /nfs/dbraw/zinc/20/68/53/762206853.db2.gz DFKDOKMZXHCYRR-CHWSQXEVSA-N 1 0 313.398 1.049 20 5 DDBDRO CCOC(=O)[C@@H]1C[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CCS1 ZINC001169046744 762204140 /nfs/dbraw/zinc/20/41/40/762204140.db2.gz MKCKNRQCOBDCHI-TUAOUCFPSA-N 1 0 302.396 1.412 20 5 DDBDRO O=C(c1ccncc1)N1CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169046998 762204784 /nfs/dbraw/zinc/20/47/84/762204784.db2.gz PKCZCCZQHOGNPX-HIFRSBDPSA-N 1 0 318.377 1.285 20 5 DDBDRO Cc1ccnc(N([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C2CC[NH2+]CC2)n1 ZINC001169057822 762210697 /nfs/dbraw/zinc/21/06/97/762210697.db2.gz XTOCSADLPBQULL-HIFRSBDPSA-N 1 0 319.409 1.789 20 5 DDBDRO C[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)[C@@H]1C[N@H+](C)CCN1C ZINC000823784950 758362791 /nfs/dbraw/zinc/36/27/91/758362791.db2.gz UIEZYFQHNVDZSL-YGRLFVJLSA-N 1 0 324.356 1.098 20 5 DDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC2(C1)CC[NH+](CC1CCC1)CC2 ZINC001040699260 762652647 /nfs/dbraw/zinc/65/26/47/762652647.db2.gz AUIJITRLYWOBGH-HUUCEWRRSA-N 1 0 321.421 1.766 20 5 DDBDRO C[NH+](C)C[C@@]12C[C@@H]1CN(c1c(Cl)[n+]([O-])ccc1[N+](=O)[O-])C2 ZINC001156386138 762696355 /nfs/dbraw/zinc/69/63/55/762696355.db2.gz WLAUTDPYKMWTQJ-NOZJJQNGSA-N 1 0 312.757 1.270 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@H](NC(=O)CC2CCC2)C1 ZINC001020046829 760476111 /nfs/dbraw/zinc/47/61/11/760476111.db2.gz RAKZXDGUDFZVTC-HAQNSBGRSA-N 1 0 321.381 1.255 20 5 DDBDRO O=C(NC[C@H]1C[C@H]([NH2+]CC2CCCCC2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001086364056 761500765 /nfs/dbraw/zinc/50/07/65/761500765.db2.gz RVSYIQJUTPENSI-KBUPBQIOSA-N 1 0 309.410 1.716 20 5 DDBDRO COc1ncc([N+](=O)[O-])cc1-n1nnc2ccc(C[NH3+])cc21 ZINC001170023815 764102852 /nfs/dbraw/zinc/10/28/52/764102852.db2.gz NAWMFRLDHWTSFB-UHFFFAOYSA-N 1 0 300.278 1.191 20 5 DDBDRO COc1ccc(C[C@H](C)[NH2+]CCN2CCNC2=O)c([N+](=O)[O-])c1 ZINC001170299110 766227062 /nfs/dbraw/zinc/22/70/62/766227062.db2.gz PWMYJEXEDKIOCI-NSHDSACASA-N 1 0 322.365 1.149 20 5 DDBDRO COc1ccc(C[C@H](C)[NH2+]CC(=O)N2CCCC2)c([N+](=O)[O-])c1 ZINC001170297927 766227652 /nfs/dbraw/zinc/22/76/52/766227652.db2.gz VXNBQYAVUSWYLZ-LBPRGKRZSA-N 1 0 321.377 1.746 20 5 DDBDRO C=CC(=O)NCC[NH2+][C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170305588 766231582 /nfs/dbraw/zinc/23/15/82/766231582.db2.gz NLQJQVWEDGWLRF-NSHDSACASA-N 1 0 307.350 1.426 20 5 DDBDRO Cc1nnccc1C(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001130864867 767770887 /nfs/dbraw/zinc/77/08/87/767770887.db2.gz JMQMCTFKFVKEIE-UHFFFAOYSA-N 1 0 321.362 1.274 20 5 DDBDRO CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001097037499 771590810 /nfs/dbraw/zinc/59/08/10/771590810.db2.gz NEMHZIQMNPQIOV-HDJSIYSDSA-N 1 0 320.393 1.994 20 5 DDBDRO C[C@@H](Nc1nc(Cl)nc(Cl)c1[N+](=O)[O-])[C@@H]1C[NH2+]CCO1 ZINC001159497501 771613512 /nfs/dbraw/zinc/61/35/12/771613512.db2.gz OGVXAESJROISKU-RITPCOANSA-N 1 0 322.152 1.480 20 5 DDBDRO CCOC(=O)COc1ncc(NCC(C)(C)[NH3+])cc1[N+](=O)[O-] ZINC001171192598 772545531 /nfs/dbraw/zinc/54/55/31/772545531.db2.gz GYWWOWLBGYEIFH-UHFFFAOYSA-N 1 0 312.326 1.081 20 5 DDBDRO [NH3+]Cc1ccc2cn(-c3cc([N+](=O)[O-])c4nncn4c3)nc2c1 ZINC001171323399 773379272 /nfs/dbraw/zinc/37/92/72/773379272.db2.gz LCKQLAHPFQFSHR-UHFFFAOYSA-N 1 0 309.289 1.435 20 5 DDBDRO CC[NH+](CC)CC(=O)NCCNc1ncc([N+](=O)[O-])cc1C ZINC001093646565 774946147 /nfs/dbraw/zinc/94/61/47/774946147.db2.gz GCQBLMLIZVAFHN-UHFFFAOYSA-N 1 0 309.370 1.168 20 5 DDBDRO CCC[N@H+](C)CC(=O)NCCNc1nccc(C)c1[N+](=O)[O-] ZINC001093787412 775078501 /nfs/dbraw/zinc/07/85/01/775078501.db2.gz BXNDLDPLUKOPEI-UHFFFAOYSA-N 1 0 309.370 1.168 20 5 DDBDRO CC[N@H+](C)C(C)(C)C(=O)NCCN(C)c1ccc([N+](=O)[O-])cc1 ZINC001100203914 775817059 /nfs/dbraw/zinc/81/70/59/775817059.db2.gz LWYPQXKFPMRINM-UHFFFAOYSA-N 1 0 322.409 1.878 20 5 DDBDRO CCN(CCNC(=O)CC[NH+](C)C)c1cc(C)c([N+](=O)[O-])cn1 ZINC001100700822 776451239 /nfs/dbraw/zinc/45/12/39/776451239.db2.gz OAUHXLAIOMNQIR-UHFFFAOYSA-N 1 0 323.397 1.192 20 5 DDBDRO O=C1C[C@H](C[NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C(=O)N1 ZINC001172902965 776916205 /nfs/dbraw/zinc/91/62/05/776916205.db2.gz NQRJNEIMXOYUOX-CHWSQXEVSA-N 1 0 317.345 1.095 20 5 DDBDRO CS(=O)(=O)CC[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172895715 776927843 /nfs/dbraw/zinc/92/78/43/776927843.db2.gz HWEOGBLZMTUYAE-ZDUSSCGKSA-N 1 0 312.391 1.476 20 5 DDBDRO CSCC[C@H]([NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC001173221148 777053494 /nfs/dbraw/zinc/05/34/94/777053494.db2.gz KMXAGVFYIGLCHR-MFKMUULPSA-N 1 0 311.407 1.722 20 5 DDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCS(=O)(=O)N(C)C ZINC001173232689 777063725 /nfs/dbraw/zinc/06/37/25/777063725.db2.gz FRPMASTZEHJDEU-LLVKDONJSA-N 1 0 315.395 1.007 20 5 DDBDRO Cc1nc(NCCN(C)C(=O)C[N@@H+](C)C(C)C)ccc1[N+](=O)[O-] ZINC001101657942 777354848 /nfs/dbraw/zinc/35/48/48/777354848.db2.gz ZGIPLIWLYJAKLQ-UHFFFAOYSA-N 1 0 323.397 1.509 20 5 DDBDRO CN(CCNc1ccccc1[N+](=O)[O-])C(=O)C1([NH+](C)C)CCC1 ZINC001101810903 777549603 /nfs/dbraw/zinc/54/96/03/777549603.db2.gz AWSHRECUXNFWBT-UHFFFAOYSA-N 1 0 320.393 1.949 20 5 DDBDRO Cc1cc([N+](=O)[O-])cnc1NCCN(C)C(=O)CC[NH+](C)C ZINC001101927148 777687904 /nfs/dbraw/zinc/68/79/04/777687904.db2.gz LAKMNYIWOCPBDG-UHFFFAOYSA-N 1 0 309.370 1.120 20 5 DDBDRO C[C@@](CO)([NH2+]C[C@H](O)CC1(O)CCC1)c1cccc([N+](=O)[O-])c1 ZINC001175324025 777751100 /nfs/dbraw/zinc/75/11/00/777751100.db2.gz ROUYJTCSAVZIPI-CABCVRRESA-N 1 0 324.377 1.058 20 5 DDBDRO COC(=O)CCNC(=O)CC[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC001179328027 779350235 /nfs/dbraw/zinc/35/02/35/779350235.db2.gz IVQMUWRUBMQEBK-UHFFFAOYSA-N 1 0 323.349 1.062 20 5 DDBDRO Cc1ncc(C[N@@H+](CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C(C)C)o1 ZINC001267257864 837679548 /nfs/dbraw/zinc/67/95/48/837679548.db2.gz YPCVLUWQEQTIKZ-ZIAGYGMSSA-N 1 0 324.381 1.365 20 5 DDBDRO CCC/C=C\CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001266900784 837028506 /nfs/dbraw/zinc/02/85/06/837028506.db2.gz GDTAHGBAXUWVJE-VZFUPFRKSA-N 1 0 307.394 1.444 20 5 DDBDRO CN(CC[NH2+]Cc1ccc(C2CC2)cc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001267371614 837933748 /nfs/dbraw/zinc/93/37/48/837933748.db2.gz NYDAIOAIBYXZKO-HZPDHXFCSA-N 1 0 317.389 1.777 20 5 DDBDRO O=C(NCCC1CC[NH+](CCCF)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001267943249 839233170 /nfs/dbraw/zinc/23/31/70/839233170.db2.gz GOXWPHCZNWQNLP-CHWSQXEVSA-N 1 0 301.362 1.230 20 5 DDBDRO CN(CCC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)c1ncc[nH]1 ZINC001268792615 840814190 /nfs/dbraw/zinc/81/41/90/840814190.db2.gz YOLGPCQZNSXYMW-UHFFFAOYSA-N 1 0 317.349 1.570 20 5 DDBDRO O=C(NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccn[nH]1 ZINC001154885741 861539185 /nfs/dbraw/zinc/53/91/85/861539185.db2.gz DJIHIJWWKFQCKK-UHFFFAOYSA-N 1 0 303.322 1.228 20 5 DDBDRO CCOC1(OCC)CC[NH2+]C[C@H]1Nc1nccc(C)c1[N+](=O)[O-] ZINC001155227524 861870659 /nfs/dbraw/zinc/87/06/59/861870659.db2.gz OTDIKKMDKAIOJB-GFCCVEGCSA-N 1 0 324.381 1.841 20 5 DDBDRO Cc1nc(N2CCC[C@@H](N3CC(C[NH3+])C3)C2)ccc1[N+](=O)[O-] ZINC001155364322 861997837 /nfs/dbraw/zinc/99/78/37/861997837.db2.gz YAQLQFIKESAOMP-CYBMUJFWSA-N 1 0 305.382 1.158 20 5 DDBDRO Cc1ncc([N+](=O)[O-])c(NC[C@@H]2CCC3(CC[NH2+]CC3)CO2)n1 ZINC001155381531 862017899 /nfs/dbraw/zinc/01/78/99/862017899.db2.gz CGLIDUDLEVYJTI-LBPRGKRZSA-N 1 0 321.381 1.654 20 5 DDBDRO CCCOCC(=O)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001155402620 862048877 /nfs/dbraw/zinc/04/88/77/862048877.db2.gz QJEDERTUYTYZKH-UHFFFAOYSA-N 1 0 309.366 1.617 20 5 DDBDRO O=[N+]([O-])c1cc(Cl)cnc1NCc1nnc2n1CCC[NH2+]C2 ZINC001155424614 862071597 /nfs/dbraw/zinc/07/15/97/862071597.db2.gz KGEWBAUGAIXLNA-UHFFFAOYSA-N 1 0 323.744 1.340 20 5 DDBDRO Nc1nc(NC[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)ccc1[N+](=O)[O-] ZINC001155595353 862272929 /nfs/dbraw/zinc/27/29/29/862272929.db2.gz CGTSKFFXUJSARD-QMTHXVAHSA-N 1 0 307.354 1.143 20 5 DDBDRO O=[N+]([O-])c1c(Cl)nc(Cl)nc1N[C@H]1C[NH2+][C@@H]2CCO[C@@H]21 ZINC001155637194 862320833 /nfs/dbraw/zinc/32/08/33/862320833.db2.gz PUYABBUDAGMQFB-ZDLURKLDSA-N 1 0 320.136 1.233 20 5 DDBDRO CNc1nccc(C(=O)N[C@H]2CCCC[C@H]2[NH+](C)C)c1[N+](=O)[O-] ZINC001327618585 862322752 /nfs/dbraw/zinc/32/27/52/862322752.db2.gz FHZQQYIZPNRTBU-NWDGAFQWSA-N 1 0 321.381 1.634 20 5 DDBDRO Cc1nccc(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)n1 ZINC001151306499 862722642 /nfs/dbraw/zinc/72/26/42/862722642.db2.gz JGZDNPKLOWAULT-UHFFFAOYSA-N 1 0 315.333 1.213 20 5 DDBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@@H]1C[C@@H]3CC[C@H]1[NH2+]3)CC2 ZINC001121978766 858650754 /nfs/dbraw/zinc/65/07/54/858650754.db2.gz LVUQDGAPACJAEP-YNEHKIRRSA-N 1 0 301.346 1.933 20 5 DDBDRO CN(CC(=O)N1CC[C@@H]2CC[C@]21C[NH3+])c1ccccc1[N+](=O)[O-] ZINC001122411684 858797679 /nfs/dbraw/zinc/79/76/79/858797679.db2.gz QZIVJAOPRWWYTE-LRDDRELGSA-N 1 0 318.377 1.371 20 5 DDBDRO O=C(CC[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2)Nc1ccccc1[N+](=O)[O-] ZINC001325843499 860877713 /nfs/dbraw/zinc/87/77/13/860877713.db2.gz BZVZNSDQCCBGTB-QKCSRTOESA-N 1 0 305.334 1.833 20 5 DDBDRO COC(=O)C1(Nc2cc([N+](=O)[O-])c3cc[nH]c3n2)CC[NH2+]CC1 ZINC001156535358 863127496 /nfs/dbraw/zinc/12/74/96/863127496.db2.gz CETCERYVMMBVKC-UHFFFAOYSA-N 1 0 319.321 1.178 20 5 DDBDRO CC(C)[N@H+](C)[C@H]1CCN(c2ncc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001157011150 863517500 /nfs/dbraw/zinc/51/75/00/863517500.db2.gz XHJFJNPCEFXKHV-JTQLQIEISA-N 1 0 309.326 1.817 20 5 DDBDRO O=C(NCCC[NH2+]Cc1nc2ccccc2o1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157761134 864110928 /nfs/dbraw/zinc/11/09/28/864110928.db2.gz NVIABKCLEOKDLJ-ZYHUDNBSSA-N 1 0 318.333 1.089 20 5 DDBDRO CCC1(Nc2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)C[NH2+]C1 ZINC001157787741 864140270 /nfs/dbraw/zinc/14/02/70/864140270.db2.gz MNFKXCSBBOZEKD-UHFFFAOYSA-N 1 0 313.361 1.946 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC1CC[NH+](C2CCC2)CC1 ZINC001158202913 864487191 /nfs/dbraw/zinc/48/71/91/864487191.db2.gz QIGOZACFWYKCJG-UHFFFAOYSA-N 1 0 321.381 1.233 20 5 DDBDRO O=C(NC[C@@H]1CCCC[NH2+]1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001331456821 865095479 /nfs/dbraw/zinc/09/54/79/865095479.db2.gz SDLOWZALJSXRDI-AWEZNQCLSA-N 1 0 318.377 1.805 20 5 DDBDRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001159657632 865451456 /nfs/dbraw/zinc/45/14/56/865451456.db2.gz NKTGECYUAHAHMC-NKWVEPMBSA-N 1 0 301.734 1.136 20 5 DDBDRO COC(=O)c1ccc(C[NH3+])n1-c1nc(Cl)cc(C)c1[N+](=O)[O-] ZINC001161934825 867112107 /nfs/dbraw/zinc/11/21/07/867112107.db2.gz ZJPFBOSLJYZKTM-UHFFFAOYSA-N 1 0 324.724 1.988 20 5 DDBDRO CCOc1cnc(N[C@@H](C)CN2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC001162094056 867246949 /nfs/dbraw/zinc/24/69/49/867246949.db2.gz XMYZMKSGXXSAII-NSHDSACASA-N 1 0 309.370 1.094 20 5 DDBDRO Cc1ncc(CNc2ncnc(C3C[NH2+]C3)c2[N+](=O)[O-])s1 ZINC001162159918 867306915 /nfs/dbraw/zinc/30/69/15/867306915.db2.gz RPKXSMLJPIWLLQ-UHFFFAOYSA-N 1 0 306.351 1.449 20 5 DDBDRO CCOC(=O)c1c(C[NH3+])ncn1-c1cc([N+](=O)[O-])c(C)cn1 ZINC001162537775 867619463 /nfs/dbraw/zinc/61/94/63/867619463.db2.gz SRNWHOYQCTUEHD-UHFFFAOYSA-N 1 0 305.294 1.119 20 5 DDBDRO CCOC(=O)c1c(C[NH3+])ncn1-c1cc([N+](=O)[O-])cc(F)c1C ZINC001162540664 867622393 /nfs/dbraw/zinc/62/23/93/867622393.db2.gz BGCLYGFRXCSKAX-UHFFFAOYSA-N 1 0 322.296 1.863 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2C3CCC2(CO)CC3)c1 ZINC001334498110 867622653 /nfs/dbraw/zinc/62/26/53/867622653.db2.gz YVZOUDQGMRHKLF-UGWHAMFMSA-N 1 0 322.361 1.324 20 5 DDBDRO COC(=O)c1cnc(NC[C@@H]2CC[NH2+]C[C@@H]2F)c([N+](=O)[O-])c1 ZINC001162802091 867834082 /nfs/dbraw/zinc/83/40/82/867834082.db2.gz LNZZZXGROCZMTC-WPRPVWTQSA-N 1 0 312.301 1.136 20 5 DDBDRO O=[N+]([O-])c1c(N[C@@H]2COCCC23C[NH2+]C3)ccc2cnccc21 ZINC001163079616 868063840 /nfs/dbraw/zinc/06/38/40/868063840.db2.gz OROVUUAMADGOBQ-CQSZACIVSA-N 1 0 314.345 1.933 20 5 DDBDRO O=[N+]([O-])c1cc2cc[nH]c2c(NC[C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)c1 ZINC001163101564 868100631 /nfs/dbraw/zinc/10/06/31/868100631.db2.gz UVMWHWADSBAIRU-MPKXVKKWSA-N 1 0 302.334 1.722 20 5 DDBDRO COC(=O)CC(C)(C)[N@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001335183510 868116945 /nfs/dbraw/zinc/11/69/45/868116945.db2.gz VIZINMBIVDWPGV-CYBMUJFWSA-N 1 0 310.350 1.902 20 5 DDBDRO O=C1C[C@H]2[NH2+]CC[C@@]2(Nc2cc3ccccc3c([N+](=O)[O-])c2)N1 ZINC001163255260 868264677 /nfs/dbraw/zinc/26/46/77/868264677.db2.gz UVCCQEZEILCMEA-GDBMZVCRSA-N 1 0 312.329 1.738 20 5 DDBDRO C[C@@H]1CCN(CC[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC001335443216 868301948 /nfs/dbraw/zinc/30/19/48/868301948.db2.gz DQZUHENHIFOPGC-KGLIPLIRSA-N 1 0 323.393 1.266 20 5 DDBDRO O=[N+]([O-])c1ccc(Cl)nc1N[C@H]1CCO[C@]2(CC[NH2+]C2)C1 ZINC001163322305 868350294 /nfs/dbraw/zinc/35/02/94/868350294.db2.gz HWKRAVGJEQQWDI-TVQRCGJNSA-N 1 0 312.757 1.966 20 5 DDBDRO CN(C)c1ccc(N[C@H]2CCO[C@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC001163327491 868357798 /nfs/dbraw/zinc/35/77/98/868357798.db2.gz JZDNSUSESSVUFL-BLLLJJGKSA-N 1 0 320.393 1.984 20 5 DDBDRO O=[N+]([O-])c1c2[nH]cnc2ccc1N[C@H]1CCO[C@@]2(CC[NH2+]C2)C1 ZINC001163329587 868360198 /nfs/dbraw/zinc/36/01/98/868360198.db2.gz YZJJIXSMOGWVGY-BONVTDFDSA-N 1 0 317.349 1.794 20 5 DDBDRO CC[N@@H+]1CCCN(c2ncc([N+](=O)[O-])cc2C(=O)OC)CC1 ZINC001163771262 868691104 /nfs/dbraw/zinc/69/11/04/868691104.db2.gz JMPCAWIJJPWXIL-UHFFFAOYSA-N 1 0 308.338 1.308 20 5 DDBDRO C[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2N)C[C@H]1C(C)(C)C ZINC001163929783 868801970 /nfs/dbraw/zinc/80/19/70/868801970.db2.gz NENIAYAIQVLCNR-AWEZNQCLSA-N 1 0 320.393 1.979 20 5 DDBDRO COC(=O)c1cnc(N2C[C@H](C)CC[C@@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC001164070074 868924573 /nfs/dbraw/zinc/92/45/73/868924573.db2.gz MZXHHPPQQPOKQP-MWLCHTKSSA-N 1 0 308.338 1.340 20 5 DDBDRO COc1nc(C)c([N+](=O)[O-])c(N2CCC[C@](C)(C[NH3+])CC2)n1 ZINC001164248193 869057215 /nfs/dbraw/zinc/05/72/15/869057215.db2.gz SJUIBLAYRNNODZ-AWEZNQCLSA-N 1 0 309.370 1.657 20 5 DDBDRO C[NH2+]CCN(C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1)C(C)C ZINC001336774008 869134888 /nfs/dbraw/zinc/13/48/88/869134888.db2.gz VAZUOYYQLAQNCP-UHFFFAOYSA-N 1 0 324.381 1.743 20 5 DDBDRO Cc1cc(N2C[C@@H]3C[C@]3([NH3+])C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001165317060 869515890 /nfs/dbraw/zinc/51/58/90/869515890.db2.gz VPNILKIEXFOIGN-LRDDRELGSA-N 1 0 311.345 1.898 20 5 DDBDRO Cc1nc2c(n1-c1ncnc3cc([N+](=O)[O-])ccc31)CC[NH2+]CC2 ZINC001165352543 869539402 /nfs/dbraw/zinc/53/94/02/869539402.db2.gz BMWNPNVXZNORGC-UHFFFAOYSA-N 1 0 324.344 1.720 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[C@@H]2C[N@H+](C)C[C@@H]12 ZINC001339316050 870442476 /nfs/dbraw/zinc/44/24/76/870442476.db2.gz GECHUHDHBHXLHO-LERXQTSPSA-N 1 0 319.361 1.673 20 5 DDBDRO CCn1c([C@H](C)[N+](=O)[O-])nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001339342099 870452479 /nfs/dbraw/zinc/45/24/79/870452479.db2.gz WQXHEVRKXLRZBZ-LBPRGKRZSA-N 1 0 322.413 1.700 20 5 DDBDRO COc1cc(N[C@H](C)[C@@H]2C[N@H+](C)CCN2C)ccc1[N+](=O)[O-] ZINC001339815422 870712282 /nfs/dbraw/zinc/71/22/82/870712282.db2.gz MPDPUAWHOPFNBN-RISCZKNCSA-N 1 0 308.382 1.650 20 5 DDBDRO Cc1cc(C(=O)NCC[C@@H]2CSCC[NH2+]2)cc([N+](=O)[O-])c1 ZINC001340381382 871069611 /nfs/dbraw/zinc/06/96/11/871069611.db2.gz IZTJABTYADAFIZ-GFCCVEGCSA-N 1 0 309.391 1.728 20 5 DDBDRO COCCC(=O)N(C)CC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001317560033 871071207 /nfs/dbraw/zinc/07/12/07/871071207.db2.gz DAKVGJOISHTBLV-UHFFFAOYSA-N 1 0 301.368 1.241 20 5 DDBDRO CNc1ccc(C(=O)N2CCC3(C[NH2+]C3)CC2)cc1[N+](=O)[O-] ZINC001340556506 871194485 /nfs/dbraw/zinc/19/44/85/871194485.db2.gz JTQBNPYRNBQAFX-UHFFFAOYSA-N 1 0 304.350 1.462 20 5 DDBDRO O=[N+]([O-])c1ccccc1-c1nnc(CN2C[C@H]3[C@H](CO)[C@H]3C2)o1 ZINC001307799319 871453987 /nfs/dbraw/zinc/45/39/87/871453987.db2.gz ODPATYVWDJBPQE-GDNZZTSVSA-N 1 0 316.317 1.315 20 5 DDBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+][C@H]2C[C@@H](O)[C@@H](O)C2)c1 ZINC001308523583 871505945 /nfs/dbraw/zinc/50/59/45/871505945.db2.gz OSPVHUDREMWIML-GUDFOSOFSA-N 1 0 318.276 1.170 20 5 DDBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1C[C@H](O)C1 ZINC001308926670 871535944 /nfs/dbraw/zinc/53/59/44/871535944.db2.gz PIGGGSIRUJNXGJ-JTNHKYCSSA-N 1 0 307.350 1.672 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](CC[NH3+])C1 ZINC001341238138 871571786 /nfs/dbraw/zinc/57/17/86/871571786.db2.gz XSCWJJDJSRNNSM-LLVKDONJSA-N 1 0 306.366 1.472 20 5 DDBDRO CC(C)(C)[NH+]1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC001317900792 871622934 /nfs/dbraw/zinc/62/29/34/871622934.db2.gz CFWIMKJNYTVVIB-UHFFFAOYSA-N 1 0 306.366 1.614 20 5 DDBDRO CC[C@H](C)[N@H+](C)CCNC(=O)Nc1c(C)cncc1[N+](=O)[O-] ZINC001310518888 871638748 /nfs/dbraw/zinc/63/87/48/871638748.db2.gz LLCLDSTWQLNPBN-NSHDSACASA-N 1 0 309.370 1.572 20 5 DDBDRO CNc1ccc(C(=O)N2[C@H](C)C[NH2+][C@@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC001341769586 871817616 /nfs/dbraw/zinc/81/76/16/871817616.db2.gz ZVXBVUKNMQYLBK-OUAUKWLOSA-N 1 0 306.366 1.847 20 5 DDBDRO CN(CC1CC[NH2+]CC1)C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC001342122346 872020701 /nfs/dbraw/zinc/02/07/01/872020701.db2.gz ZECNVVWMLCLJQZ-UHFFFAOYSA-N 1 0 320.393 1.489 20 5 DDBDRO COc1ccc(C(=O)N[C@]23CCC[C@H]2C[NH2+]C3)cc1[N+](=O)[O-] ZINC001343234918 872547544 /nfs/dbraw/zinc/54/75/44/872547544.db2.gz QJBQSWFLTWGFGM-NHYWBVRUSA-N 1 0 305.334 1.475 20 5 DDBDRO O=C(CCn1cc([N+](=O)[O-])cn1)N1CCCC[C@@]12CCC[NH2+]C2 ZINC001343778419 872756332 /nfs/dbraw/zinc/75/63/32/872756332.db2.gz ZFARQTGPSWBQRG-HNNXBMFYSA-N 1 0 321.381 1.316 20 5 DDBDRO C[C@@H](CNC(=O)C[C@@H]1COCC[NH2+]1)c1ccccc1[N+](=O)[O-] ZINC001345324613 873355216 /nfs/dbraw/zinc/35/52/16/873355216.db2.gz LRNZDYFPGDDXFG-NWDGAFQWSA-N 1 0 307.350 1.193 20 5 DDBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1C[C@H](CO)C1 ZINC001207638243 873431157 /nfs/dbraw/zinc/43/11/57/873431157.db2.gz BYGRVTXPWPVYPC-GVXVVHGQSA-N 1 0 307.350 1.672 20 5 DDBDRO [NH3+]C[C@]12CC[C@@H]1CCN2C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC001345601601 873452726 /nfs/dbraw/zinc/45/27/26/873452726.db2.gz HFGZVLBOZFXDMA-IBDJJKOYSA-N 1 0 301.346 1.948 20 5 DDBDRO [NH3+][C@@H]1CCCC[C@H]1C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC001345992765 873585673 /nfs/dbraw/zinc/58/56/73/873585673.db2.gz JWYIJOUYNGBHLK-VXGBXAGGSA-N 1 0 306.366 1.640 20 5 DDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[NH2+]CC1 ZINC001346440106 873754140 /nfs/dbraw/zinc/75/41/40/873754140.db2.gz CCSAQIIIPVGQAJ-NSHDSACASA-N 1 0 306.366 1.756 20 5 DDBDRO C[C@H](C(=O)N1CC[C@@](O)(C[NH+](C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC001347175676 874043794 /nfs/dbraw/zinc/04/37/94/874043794.db2.gz SRVGBWWOPLWLET-BLLLJJGKSA-N 1 0 321.377 1.223 20 5 DDBDRO CC[C@]1(C(=O)NCc2cc([N+](=O)[O-])ccc2OC)CC[NH2+]C1 ZINC001348942727 874888941 /nfs/dbraw/zinc/88/89/41/874888941.db2.gz ZJDPKSJWOPNWIK-HNNXBMFYSA-N 1 0 307.350 1.609 20 5 DDBDRO [NH3+]CCCN(CC(F)(F)F)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC001349840372 875403813 /nfs/dbraw/zinc/40/38/13/875403813.db2.gz WRKUUXRGUGHHBT-UHFFFAOYSA-N 1 0 319.283 1.877 20 5 DDBDRO CC1(C)Cc2cccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)c2O1 ZINC001227251884 882934975 /nfs/dbraw/zinc/93/49/75/882934975.db2.gz CGEIOMNJPRYVKG-CYBMUJFWSA-N 1 0 308.398 1.763 20 5 DDBDRO CC[NH+]1CCC(NC(=O)Nc2c(C)cncc2[N+](=O)[O-])CC1 ZINC001216474519 876954080 /nfs/dbraw/zinc/95/40/80/876954080.db2.gz OPFDUPJRGQDCFK-UHFFFAOYSA-N 1 0 307.354 1.326 20 5 DDBDRO O=c1ccc2[n+]([O-])c3ccc(O[C@H]4CCC[NH2+]C4)cc3oc-2c1 ZINC001218283536 877444061 /nfs/dbraw/zinc/44/40/61/877444061.db2.gz NQYCEDAHZFIQBZ-ZDUSSCGKSA-N 1 0 312.325 1.662 20 5 DDBDRO COc1ccc(CC(=O)NC[C@@H]2CCCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC001353895728 877636357 /nfs/dbraw/zinc/63/63/57/877636357.db2.gz WHGZUBQHMLMDGQ-ZDUSSCGKSA-N 1 0 321.377 1.746 20 5 DDBDRO C[C@@H]([NH2+]CC[N+](=O)[O-])[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001354594714 878094160 /nfs/dbraw/zinc/09/41/60/878094160.db2.gz MHOKZSSASIUORS-VXGBXAGGSA-N 1 0 301.387 1.888 20 5 DDBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H](O)COC2CCOCC2)cc1 ZINC001356535889 879090326 /nfs/dbraw/zinc/09/03/26/879090326.db2.gz XOWWIYPLXWYYAU-CQSZACIVSA-N 1 0 310.350 1.241 20 5 DDBDRO Cc1c(CNC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)cccc1[N+](=O)[O-] ZINC001357350499 879929354 /nfs/dbraw/zinc/92/93/54/879929354.db2.gz JBYZPAZOJYLFEN-FRRDWIJNSA-N 1 0 304.350 1.595 20 5 DDBDRO O=C(CCc1cc(F)ccc1[N+](=O)[O-])N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001358463592 880440918 /nfs/dbraw/zinc/44/09/18/880440918.db2.gz PKRSLEHQHRHOSX-YNEHKIRRSA-N 1 0 307.325 1.676 20 5 DDBDRO COCC[NH+]1CCC(Oc2ncc([N+](=O)[O-])c3nc[nH]c32)CC1 ZINC001227692462 883136047 /nfs/dbraw/zinc/13/60/47/883136047.db2.gz YNIXBLOFKATJOB-UHFFFAOYSA-N 1 0 321.337 1.356 20 5 DDBDRO COC(=O)[C@H](CCC[NH3+])N[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001246402435 892605067 /nfs/dbraw/zinc/60/50/67/892605067.db2.gz WFTADSCETGPCEY-YPMHNXCESA-N 1 0 309.366 1.396 20 5 DDBDRO CN1CC2(C1)C[NH+](C1CCN(c3ccc([N+](=O)[O-])cc3)CC1)C2 ZINC001254483372 896456651 /nfs/dbraw/zinc/45/66/51/896456651.db2.gz RURZWRUSPMKNPL-UHFFFAOYSA-N 1 0 316.405 1.811 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@](C)(CO)[C@@H](O)C1 ZINC001254553296 896499571 /nfs/dbraw/zinc/49/95/71/896499571.db2.gz UQIKMOKMRJMVPR-UHOFOFEASA-N 1 0 308.378 1.591 20 5 DDBDRO COC(=O)[C@H]1C[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCCO1 ZINC001254610923 896531186 /nfs/dbraw/zinc/53/11/86/896531186.db2.gz MTWOTTIBRBDBGM-HUUCEWRRSA-N 1 0 320.345 1.326 20 5 DDBDRO [NH3+][C@H]1CCCC[C@H]1C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001261495626 899609283 /nfs/dbraw/zinc/60/92/83/899609283.db2.gz NSNSOJRMIHLBMD-KOLCDFICSA-N 1 0 303.322 1.927 20 5 DDBDRO CC(C)N(C)CC[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC001262564502 900247835 /nfs/dbraw/zinc/24/78/35/900247835.db2.gz KFUSBHGQBYNKDU-CYBMUJFWSA-N 1 0 311.382 1.264 20 5 DDBDRO C[NH2+]CCN(C(=O)NCCc1ccc([N+](=O)[O-])cc1)C(C)C ZINC001262565204 900248071 /nfs/dbraw/zinc/24/80/71/900248071.db2.gz FWVJQRVWAYPFMG-UHFFFAOYSA-N 1 0 308.382 1.777 20 5 DDBDRO O=C(CCc1cc(F)ccc1[N+](=O)[O-])N[C@@H]1CC12CC[NH2+]CC2 ZINC001263108759 900501974 /nfs/dbraw/zinc/50/19/74/900501974.db2.gz GPMIYDXDCOIYFI-CQSZACIVSA-N 1 0 321.352 1.925 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC001263213848 900536215 /nfs/dbraw/zinc/53/62/15/900536215.db2.gz DRSUWNBOXGTWMT-MNOVXSKESA-N 1 0 307.350 1.660 20 5 DDBDRO O=C(NCC1=CC[N@H+](CCCCCF)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001279555420 903325021 /nfs/dbraw/zinc/32/50/21/903325021.db2.gz ZFOXCSBNLGDLMW-ZIAGYGMSSA-N 1 0 313.373 1.540 20 5 DDBDRO CCCCC[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1 ZINC001280387929 903626258 /nfs/dbraw/zinc/62/62/58/903626258.db2.gz JQDWZAUQMUURGQ-ZIAGYGMSSA-N 1 0 309.410 1.766 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC001297253833 916840943 /nfs/dbraw/zinc/84/09/43/916840943.db2.gz ZCORBULHTHNXPU-TXEJJXNPSA-N 1 0 319.361 1.627 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)C[C@H]1CCC[C@H]1O ZINC000305361544 231004429 /nfs/dbraw/zinc/00/44/29/231004429.db2.gz UEYDNHKERNMGSR-IUODEOHRSA-N 1 0 321.377 1.935 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CC[C@H](CCCO)C2)c1 ZINC000452135391 231315662 /nfs/dbraw/zinc/31/56/62/231315662.db2.gz VWWUZLUEUSBKAP-ZFWWWQNUSA-N 1 0 324.377 1.429 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC[NH+](C2CC2)CC1 ZINC000181593951 199323764 /nfs/dbraw/zinc/32/37/64/199323764.db2.gz KFPTZLYKXZNTDX-CQSZACIVSA-N 1 0 321.377 1.115 20 5 DDBDRO CN(C[C@@H](O)C[NH3+])C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000415704221 529941986 /nfs/dbraw/zinc/94/19/86/529941986.db2.gz RSLNHYSLXRMJPG-NSHDSACASA-N 1 0 324.381 1.676 20 5 DDBDRO Cc1ccc(S(=O)(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000227063869 201791174 /nfs/dbraw/zinc/79/11/74/201791174.db2.gz FJMXKRRSUCGGCA-CMPLNLGQSA-N 1 0 313.379 1.261 20 5 DDBDRO C[N@@H+]1CC[C@@](O)(CNc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000358335166 299124663 /nfs/dbraw/zinc/12/46/63/299124663.db2.gz ZBKFUNWRLTUXAF-OAHLLOKOSA-N 1 0 302.334 1.622 20 5 DDBDRO CCNC(=O)NC(=O)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181830088 199358349 /nfs/dbraw/zinc/35/83/49/199358349.db2.gz HIDWHYGGLLADSB-SNVBAGLBSA-N 1 0 308.338 1.400 20 5 DDBDRO C[C@@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)C1=CC[N@H+](C)CC1 ZINC000272659564 210064119 /nfs/dbraw/zinc/06/41/19/210064119.db2.gz BRSGBXCBIVDJNX-GFCCVEGCSA-N 1 0 319.361 1.740 20 5 DDBDRO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000564353100 303995616 /nfs/dbraw/zinc/99/56/16/303995616.db2.gz ZBHZNBLNTACIGQ-ZDUSSCGKSA-N 1 0 323.393 1.726 20 5 DDBDRO COc1cc(C[NH2+]CCN2CC=CCC2)c([N+](=O)[O-])cc1O ZINC000279820559 215174522 /nfs/dbraw/zinc/17/45/22/215174522.db2.gz PIFOQUYTXZNSID-UHFFFAOYSA-N 1 0 307.350 1.661 20 5 DDBDRO CCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000071312705 190955946 /nfs/dbraw/zinc/95/59/46/190955946.db2.gz NSXBWEYWCSHCBF-LBPRGKRZSA-N 1 0 313.379 1.276 20 5 DDBDRO C[N@H+](CCNC(=O)c1[nH]ncc1[N+](=O)[O-])Cc1ccccc1 ZINC000138213331 186014762 /nfs/dbraw/zinc/01/47/62/186014762.db2.gz GRKCEKGCDHCYJO-UHFFFAOYSA-N 1 0 303.322 1.180 20 5 DDBDRO CCOc1cc(C[NH2+]C(C)(C)C(=O)N(C)C)ccc1[N+](=O)[O-] ZINC000617212581 362996572 /nfs/dbraw/zinc/99/65/72/362996572.db2.gz SDHYNTBRASRRKR-UHFFFAOYSA-N 1 0 309.366 1.950 20 5 DDBDRO Nc1ccc(C(=O)NC2CC[NH+](C3CC3)CC2)cc1[N+](=O)[O-] ZINC000014528273 352150494 /nfs/dbraw/zinc/15/04/94/352150494.db2.gz LEISBYIQMYFWOP-UHFFFAOYSA-N 1 0 304.350 1.534 20 5 DDBDRO O=C(NCC1([NH+]2CCSCC2)CCCC1)[C@H]1C[C@H]1[N+](=O)[O-] ZINC000044521421 352387318 /nfs/dbraw/zinc/38/73/18/352387318.db2.gz FNIXITJXMUASFJ-NWDGAFQWSA-N 1 0 313.423 1.129 20 5 DDBDRO [NH3+][C@H]1CC[C@@H](C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000172818708 198152973 /nfs/dbraw/zinc/15/29/73/198152973.db2.gz IAJPFWCYNBKLKZ-OLZOCXBDSA-N 1 0 318.377 1.371 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000046996832 352475888 /nfs/dbraw/zinc/47/58/88/352475888.db2.gz UWLQOFPMZNTXFY-UONOGXRCSA-N 1 0 304.350 1.655 20 5 DDBDRO C[C@@H](CNC(=O)CCn1cc([N+](=O)[O-])cn1)C[NH+]1CCCCC1 ZINC000064301260 352932799 /nfs/dbraw/zinc/93/27/99/352932799.db2.gz HUJNNIWQHOBWCD-ZDUSSCGKSA-N 1 0 323.397 1.420 20 5 DDBDRO CCCC[NH+]1CCC(NC(=O)Cn2cc([N+](=O)[O-])nc2C)CC1 ZINC000068442262 353112783 /nfs/dbraw/zinc/11/27/83/353112783.db2.gz RHVUKCMPQRWUGV-UHFFFAOYSA-N 1 0 323.397 1.480 20 5 DDBDRO Cc1ccc(S(=O)(=O)N[C@@H](C)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000344922843 282871761 /nfs/dbraw/zinc/87/17/61/282871761.db2.gz VYGGTQGRXORZDM-JTQLQIEISA-N 1 0 301.368 1.132 20 5 DDBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000073900367 353277458 /nfs/dbraw/zinc/27/74/58/353277458.db2.gz ZKTKQJIKKXSIKF-CQSZACIVSA-N 1 0 306.366 1.878 20 5 DDBDRO CC(C)[C@H]([NH3+])C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000182101686 199386851 /nfs/dbraw/zinc/38/68/51/199386851.db2.gz XFUZCBHTHLWSFW-ZDUSSCGKSA-N 1 0 303.322 1.907 20 5 DDBDRO CCOC[C@@H](O)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174246775 198309894 /nfs/dbraw/zinc/30/98/94/198309894.db2.gz YOLKGONFMLIBIO-AWEZNQCLSA-N 1 0 324.377 1.835 20 5 DDBDRO CNC(=O)CC[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000074371649 353310481 /nfs/dbraw/zinc/31/04/81/353310481.db2.gz RBYLVMGSWHIUSK-UHFFFAOYSA-N 1 0 320.374 1.944 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000074392879 353311343 /nfs/dbraw/zinc/31/13/43/353311343.db2.gz ITVFBFJGAIJFEM-UHFFFAOYSA-N 1 0 309.370 1.089 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H](c2ccccc2)C2CC2)c1 ZINC000174705287 198373050 /nfs/dbraw/zinc/37/30/50/198373050.db2.gz LWZKXONHALUXAX-CVEARBPZSA-N 1 0 316.361 1.893 20 5 DDBDRO CN(CCCC[NH+](C)C)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000085295779 353732677 /nfs/dbraw/zinc/73/26/77/353732677.db2.gz DCCFZRSPFBFGND-UHFFFAOYSA-N 1 0 321.424 1.619 20 5 DDBDRO COC(=O)CC[N@@H+]1CCN(c2ccc([N+](=O)[O-])nc2)[C@@H](C)C1 ZINC000089265453 353763763 /nfs/dbraw/zinc/76/37/63/353763763.db2.gz OLUJPFRONYIQBT-NSHDSACASA-N 1 0 308.338 1.063 20 5 DDBDRO COc1cc(C[N@H+](CCO)CC2CC2)c([N+](=O)[O-])cc1OC ZINC000092506012 353859807 /nfs/dbraw/zinc/85/98/07/353859807.db2.gz ARJLHKBXBXSQEF-UHFFFAOYSA-N 1 0 310.350 1.816 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000277075748 213277069 /nfs/dbraw/zinc/27/70/69/213277069.db2.gz KBQAEQJZXXIINV-GFCCVEGCSA-N 1 0 307.350 1.770 20 5 DDBDRO [NH3+][C@H]1CCC[C@@H](NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000124992289 354043273 /nfs/dbraw/zinc/04/32/73/354043273.db2.gz BIYWLPTWVWBAQX-NWDGAFQWSA-N 1 0 313.379 1.284 20 5 DDBDRO C[N@@H+]1CCC[C@H]1CNC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000139418043 354127517 /nfs/dbraw/zinc/12/75/17/354127517.db2.gz LAYWJMZDPGZJQN-AWEZNQCLSA-N 1 0 321.381 1.400 20 5 DDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CC[C@@H](O)C(F)F)n1 ZINC000601299415 358484897 /nfs/dbraw/zinc/48/48/97/358484897.db2.gz QQOLGLARIJGSKO-GMTAPVOTSA-N 1 0 318.324 1.881 20 5 DDBDRO COc1cc(OCC(=O)N2CC[C@H]([NH3+])C[C@H]2C)ccc1[N+](=O)[O-] ZINC000237225931 354340255 /nfs/dbraw/zinc/34/02/55/354340255.db2.gz YZEJGIGUDIBEQN-MNOVXSKESA-N 1 0 323.349 1.320 20 5 DDBDRO COCC1(O)CC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000270330469 354408138 /nfs/dbraw/zinc/40/81/38/354408138.db2.gz BRFULAKCAWERES-UHFFFAOYSA-N 1 0 324.377 1.837 20 5 DDBDRO [NH3+]CC[C@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000307880244 354472582 /nfs/dbraw/zinc/47/25/82/354472582.db2.gz PYEZQKNCIJDZJO-VIFPVBQESA-N 1 0 306.244 1.996 20 5 DDBDRO CNc1ccc(C(=O)N2CC[C@@H]([NH+](C)C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000320273369 354526560 /nfs/dbraw/zinc/52/65/60/354526560.db2.gz YUTKUHPXPXVTAT-GXFFZTMASA-N 1 0 306.366 1.801 20 5 DDBDRO O=[N+]([O-])c1ccc(CCn2cc([C@H]3CCC[NH2+]C3)nn2)cc1 ZINC000404688306 354676833 /nfs/dbraw/zinc/67/68/33/354676833.db2.gz NMCNNOWNQUZUSJ-ZDUSSCGKSA-N 1 0 301.350 1.896 20 5 DDBDRO CC(C)[N@H+](C)CCNc1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C ZINC000587780534 354885631 /nfs/dbraw/zinc/88/56/31/354885631.db2.gz YEOHCNZMCSSVBX-UHFFFAOYSA-N 1 0 321.381 1.537 20 5 DDBDRO Cc1cc(C(=O)N2CC[C@H]([N@@H+]3CC[C@@H](O)C3)C2)cc([N+](=O)[O-])c1 ZINC000588860629 354943687 /nfs/dbraw/zinc/94/36/87/354943687.db2.gz KIAFLSQLMLJQHT-DZGCQCFKSA-N 1 0 319.361 1.184 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(CN2CCC[C@H](CO)C2)c1 ZINC000589494678 354996301 /nfs/dbraw/zinc/99/63/01/354996301.db2.gz XRYAFVJQUSHKMJ-NSHDSACASA-N 1 0 308.334 1.586 20 5 DDBDRO C[N@H+]1C[C@H]2[C@@H](CCN2CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000590011105 355040782 /nfs/dbraw/zinc/04/07/82/355040782.db2.gz HUKWCDIBACTPPT-WFASDCNBSA-N 1 0 318.377 1.559 20 5 DDBDRO CN(C)CC[N@H+](C)CCCNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000494851688 235095941 /nfs/dbraw/zinc/09/59/41/235095941.db2.gz SGIYUXBVSNLYKQ-UHFFFAOYSA-N 1 0 322.409 1.137 20 5 DDBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000590404336 355086523 /nfs/dbraw/zinc/08/65/23/355086523.db2.gz ZDCYZYSWUCVLOX-RISCZKNCSA-N 1 0 307.350 1.525 20 5 DDBDRO C[N@@H+]1C[C@H]2CCN(C(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)[C@@H]2C1 ZINC000590446390 355099621 /nfs/dbraw/zinc/09/96/21/355099621.db2.gz TVSMNOSSPTXYPE-NOZJJQNGSA-N 1 0 315.333 1.247 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(c3nc4ccc([N+](=O)[O-])cc4c(=O)[nH]3)C[C@@H]21 ZINC000590720105 355155507 /nfs/dbraw/zinc/15/55/07/355155507.db2.gz MLCASZGKJPDXSV-RNCFNFMXSA-N 1 0 315.333 1.384 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000590971660 355227439 /nfs/dbraw/zinc/22/74/39/355227439.db2.gz DHGZITCHKUVJBV-NFAWXSAZSA-N 1 0 322.361 1.445 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000591346280 355293575 /nfs/dbraw/zinc/29/35/75/355293575.db2.gz HKLLZZFANLRHCN-LBPRGKRZSA-N 1 0 322.365 1.545 20 5 DDBDRO CC[C@H]1CN(C(=O)NCCc2cccc([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000591356125 355297948 /nfs/dbraw/zinc/29/79/48/355297948.db2.gz RCDGNWQRNKFMHL-DZGCQCFKSA-N 1 0 320.393 1.906 20 5 DDBDRO O=C(NCC[NH2+]C1CC1)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000591357168 355299132 /nfs/dbraw/zinc/29/91/32/355299132.db2.gz GAVHHKNCEWYQJX-UHFFFAOYSA-N 1 0 318.337 1.022 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@H]3CC[NH2+][C@@H]3C2)c1 ZINC000591438544 355311246 /nfs/dbraw/zinc/31/12/46/355311246.db2.gz MZAXZQIJROEGEB-ZYHUDNBSSA-N 1 0 305.334 1.570 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000591448196 355313619 /nfs/dbraw/zinc/31/36/19/355313619.db2.gz HATGQEXCPGDHKU-OLZOCXBDSA-N 1 0 318.377 1.526 20 5 DDBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCC[NH2+]C1CC1 ZINC000591577223 355329825 /nfs/dbraw/zinc/32/98/25/355329825.db2.gz CPJSDIDIILUTIN-NSHDSACASA-N 1 0 306.366 1.654 20 5 DDBDRO C[C@@]1(CNCc2cc3c(cc2[N+](=O)[O-])OCCO3)CCC[NH2+]C1 ZINC000591278289 355276921 /nfs/dbraw/zinc/27/69/21/355276921.db2.gz DXEKPJQLHNELDK-MRXNPFEDSA-N 1 0 321.377 1.845 20 5 DDBDRO Cc1ccc(NC(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)cc1[N+](=O)[O-] ZINC000591291964 355280959 /nfs/dbraw/zinc/28/09/59/355280959.db2.gz VGMJBUCWRRSAJG-LBPRGKRZSA-N 1 0 320.349 1.100 20 5 DDBDRO C[C@H](C[C@H]1CCOC1)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000591753783 355377296 /nfs/dbraw/zinc/37/72/96/355377296.db2.gz KRMPVPBKOSWPEO-MCIONIFRSA-N 1 0 324.377 1.739 20 5 DDBDRO C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C[C@@H]1[NH+](C)C ZINC000332645743 235236389 /nfs/dbraw/zinc/23/63/89/235236389.db2.gz LHPXRXDDYHCSNC-BDAKNGLRSA-N 1 0 319.408 1.227 20 5 DDBDRO Cc1cc(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)ncn1 ZINC000591757275 355377960 /nfs/dbraw/zinc/37/79/60/355377960.db2.gz HVPXOVSCQAKSOY-AWEZNQCLSA-N 1 0 318.333 1.223 20 5 DDBDRO CO[C@@H]1CCC[C@H]1C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000591758199 355378750 /nfs/dbraw/zinc/37/87/50/355378750.db2.gz AUHSTLFZHWXLHA-JGGQBBKZSA-N 1 0 324.377 1.739 20 5 DDBDRO CN(CCC[NH3+])C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000591679004 355361207 /nfs/dbraw/zinc/36/12/07/355361207.db2.gz MYMOVVNAXFKFOR-UHFFFAOYSA-N 1 0 317.349 1.416 20 5 DDBDRO C[NH+]1CCC2(CC1)CN(c1ccc([N+](=O)[O-])c(N)c1F)CCO2 ZINC000591991615 355455921 /nfs/dbraw/zinc/45/59/21/355455921.db2.gz JYZNFADBGRBATB-UHFFFAOYSA-N 1 0 324.356 1.617 20 5 DDBDRO CC[C@H]1CN(C(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000592331880 355561073 /nfs/dbraw/zinc/56/10/73/355561073.db2.gz BHRRRGRLYRFQTM-STQMWFEESA-N 1 0 321.377 1.732 20 5 DDBDRO C[C@@]1([NH3+])CCCC[C@H]1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000592136565 355510102 /nfs/dbraw/zinc/51/01/02/355510102.db2.gz RKUBFJXTDAECNB-GOEBONIOSA-N 1 0 321.377 1.997 20 5 DDBDRO Cc1c(Br)c(=O)n(C[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000592168317 355524733 /nfs/dbraw/zinc/52/47/33/355524733.db2.gz QKHNQKJYMHFMAX-QMMMGPOBSA-N 1 0 316.155 1.437 20 5 DDBDRO CC[C@@H]1CN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC[C@@H]1[NH3+] ZINC000592330896 355560574 /nfs/dbraw/zinc/56/05/74/355560574.db2.gz DWZOGYRVIZXQNX-RISCZKNCSA-N 1 0 307.350 1.559 20 5 DDBDRO CC[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H](C)O ZINC000592431089 355581050 /nfs/dbraw/zinc/58/10/50/355581050.db2.gz ZMRFPCLIEJIXMN-GXFFZTMASA-N 1 0 316.379 1.118 20 5 DDBDRO CC1(CC(F)F)C[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000592446725 355586867 /nfs/dbraw/zinc/58/68/67/355586867.db2.gz RCPWVPLRGBLODA-JTQLQIEISA-N 1 0 304.297 1.129 20 5 DDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CC23CC[NH2+]CC3)s1 ZINC000592390501 355573828 /nfs/dbraw/zinc/57/38/28/355573828.db2.gz YWIZPEYHYZOUHD-MRVPVSSYSA-N 1 0 317.392 1.077 20 5 DDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000592398811 355575579 /nfs/dbraw/zinc/57/55/79/355575579.db2.gz UNEJWTQSRDMZOS-UWVGGRQHSA-N 1 0 315.395 1.561 20 5 DDBDRO COC(=O)c1cc(C(=O)NCCC[NH2+]C2CC2)cc([N+](=O)[O-])c1 ZINC000592569844 355632797 /nfs/dbraw/zinc/63/27/97/355632797.db2.gz GJJKQNPEPZHTMA-UHFFFAOYSA-N 1 0 321.333 1.253 20 5 DDBDRO CC[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CCCOC1 ZINC000593070267 355786362 /nfs/dbraw/zinc/78/63/62/355786362.db2.gz VYTWCBRCFGPTNF-LSDHHAIUSA-N 1 0 324.377 1.835 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCC2(CC2(F)F)CC1 ZINC000593073483 355787185 /nfs/dbraw/zinc/78/71/85/355787185.db2.gz UNNQIVDYKQQMHN-UHFFFAOYSA-N 1 0 313.304 1.878 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1[C@H](C)C[N@H+](C)[C@H](C)[C@H]1C ZINC000593188847 355821066 /nfs/dbraw/zinc/82/10/66/355821066.db2.gz RPHPUJJZCQSUDQ-GMTAPVOTSA-N 1 0 309.370 1.039 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCC1(C[NH3+])CC1 ZINC000593771276 355991394 /nfs/dbraw/zinc/99/13/94/355991394.db2.gz QXVAJRYMPNMZBV-UHFFFAOYSA-N 1 0 320.349 1.087 20 5 DDBDRO CCO[C@@H]1CN(C(=O)c2ccc(NC)c([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000593916688 356058954 /nfs/dbraw/zinc/05/89/54/356058954.db2.gz NMCYVRFFJYWVND-BXUZGUMPSA-N 1 0 322.365 1.072 20 5 DDBDRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2C(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000593919071 356060879 /nfs/dbraw/zinc/06/08/79/356060879.db2.gz NMMJDDGWJATEJY-DDTOSNHZSA-N 1 0 322.365 1.424 20 5 DDBDRO C[C@H](O)C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000594063590 356103594 /nfs/dbraw/zinc/10/35/94/356103594.db2.gz IWUUKZBUTQZDGQ-NSHDSACASA-N 1 0 307.350 1.769 20 5 DDBDRO O=C(c1ccc([N+](=O)[O-])cn1)N1CC[NH2+]C2(CCCCC2)C1 ZINC000594628985 356268944 /nfs/dbraw/zinc/26/89/44/356268944.db2.gz TVJQORRCBVSUKI-UHFFFAOYSA-N 1 0 304.350 1.738 20 5 DDBDRO C[C@]1(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1(F)F ZINC000594732763 356300690 /nfs/dbraw/zinc/30/06/90/356300690.db2.gz MWHJJMSWZNTFQN-DGCLKSJQSA-N 1 0 316.304 1.969 20 5 DDBDRO CN(CC(C)(C)[NH3+])S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000595115933 356384716 /nfs/dbraw/zinc/38/47/16/356384716.db2.gz NMWCGJFQADMJDY-UHFFFAOYSA-N 1 0 321.786 1.606 20 5 DDBDRO COc1cc(OCC(=O)N2CC[C@@H](C)[C@@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000595229397 356412238 /nfs/dbraw/zinc/41/22/38/356412238.db2.gz WUNCFOZQQUKWKN-PWSUYJOCSA-N 1 0 323.349 1.178 20 5 DDBDRO CC(C)OC[C@H]([NH3+])C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000595250365 356418090 /nfs/dbraw/zinc/41/80/90/356418090.db2.gz QGFOWSDWZMTLNA-HNNXBMFYSA-N 1 0 323.393 1.786 20 5 DDBDRO [NH3+][C@@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC[C@H]1F ZINC000595261386 356424451 /nfs/dbraw/zinc/42/44/51/356424451.db2.gz YPPQDHPIWFTYCG-GHMZBOCLSA-N 1 0 307.281 1.852 20 5 DDBDRO CCC[N@@H+]1CC[C@@H](NC(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000595477492 356509964 /nfs/dbraw/zinc/50/99/64/356509964.db2.gz UOUQAPAHMKRUCZ-CYBMUJFWSA-N 1 0 306.366 1.878 20 5 DDBDRO CC(C)(CO)[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1cccnc1 ZINC000595501017 356520661 /nfs/dbraw/zinc/52/06/61/356520661.db2.gz QPBNDFJANLLQGM-CQSZACIVSA-N 1 0 319.365 1.536 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](CCOCCO)C1CCC1 ZINC000595602938 356571799 /nfs/dbraw/zinc/57/17/99/356571799.db2.gz ZCLGRHUQHJNKLY-UHFFFAOYSA-N 1 0 324.377 1.967 20 5 DDBDRO CC[C@@H](C)[C@H]([NH3+])C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000236905319 202063487 /nfs/dbraw/zinc/06/34/87/202063487.db2.gz ZCWCENSBECHEEQ-DOMZBBRYSA-N 1 0 320.393 1.617 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCC(C3CCC3)CC2)c1 ZINC000595658107 356594596 /nfs/dbraw/zinc/59/45/96/356594596.db2.gz FTLQRWBDCWSVDZ-HNNXBMFYSA-N 1 0 308.382 1.664 20 5 DDBDRO COc1ccc(OCC[N@H+]2C[C@@H](C)[C@H](O)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000595742405 356631128 /nfs/dbraw/zinc/63/11/28/356631128.db2.gz GARUDNIRZYTCEU-ATCWAGBWSA-N 1 0 324.377 1.931 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1C[C@@H](O)C12CCC2 ZINC000595785093 356651704 /nfs/dbraw/zinc/65/17/04/356651704.db2.gz XABUPIMNPGTMLF-KCPJHIHWSA-N 1 0 322.361 1.228 20 5 DDBDRO C[NH2+]CCNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000237052884 202136713 /nfs/dbraw/zinc/13/67/13/202136713.db2.gz GXEOIKVEJAHUMG-UHFFFAOYSA-N 1 0 316.155 1.235 20 5 DDBDRO C[C@@H]1C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@]1(C)CO ZINC000595856992 356679541 /nfs/dbraw/zinc/67/95/41/356679541.db2.gz HERBBDFSXKPMRO-IVMMDQJWSA-N 1 0 324.377 1.285 20 5 DDBDRO O=C(CC[N@@H+]1CC[C@@H]2COC[C@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000595826933 356665923 /nfs/dbraw/zinc/66/59/23/356665923.db2.gz BESAWYNBWBZWAS-CHWSQXEVSA-N 1 0 319.361 1.892 20 5 DDBDRO COc1ccc(NC(=O)CN(C)CC(C)(C)[NH3+])c([N+](=O)[O-])c1 ZINC000595901338 356697895 /nfs/dbraw/zinc/69/78/95/356697895.db2.gz FCGHQUFFPUMMTD-UHFFFAOYSA-N 1 0 310.354 1.211 20 5 DDBDRO CC(C)([NH3+])c1cc(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)on1 ZINC000595923478 356706137 /nfs/dbraw/zinc/70/61/37/356706137.db2.gz WWOOBULICQNHEU-UHFFFAOYSA-N 1 0 316.317 1.980 20 5 DDBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@]1(C)CC[NH2+]C1 ZINC000595991841 356738360 /nfs/dbraw/zinc/73/83/60/356738360.db2.gz LYDXHKGLLHAAOY-IINYFYTJSA-N 1 0 309.391 1.944 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@]2(C)CC[NH2+]C2)c1C ZINC000596051451 356753845 /nfs/dbraw/zinc/75/38/45/356753845.db2.gz OTNVONDVQZVFHO-CYBMUJFWSA-N 1 0 313.379 1.242 20 5 DDBDRO C[NH+](C)CCC[C@H]1CN(c2ncc([N+](=O)[O-])cc2F)CCO1 ZINC000596564972 356918767 /nfs/dbraw/zinc/91/87/67/356918767.db2.gz FAMDCCBJPDGZCG-LBPRGKRZSA-N 1 0 312.345 1.676 20 5 DDBDRO CN(C)C(=O)CN(CC[NH+](C)C)Cc1ccc([N+](=O)[O-])cc1 ZINC000597204390 357091738 /nfs/dbraw/zinc/09/17/38/357091738.db2.gz IPGHUBLCJLLLOF-UHFFFAOYSA-N 1 0 308.382 1.047 20 5 DDBDRO C[C@@H]1C[NH+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@@H](C)C1O ZINC000597204351 357092094 /nfs/dbraw/zinc/09/20/94/357092094.db2.gz HSODFMUHMOCLAA-GHMZBOCLSA-N 1 0 322.361 1.815 20 5 DDBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC(CO)(CO)C1 ZINC000597218849 357098320 /nfs/dbraw/zinc/09/83/20/357098320.db2.gz LZYHZANPUFTNPA-NTUHNPAUSA-N 1 0 306.362 1.675 20 5 DDBDRO CC(=O)NCC[C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000347622523 283243559 /nfs/dbraw/zinc/24/35/59/283243559.db2.gz JAFHLRBBDOVKCB-ZDUSSCGKSA-N 1 0 309.370 1.030 20 5 DDBDRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000597854820 357359229 /nfs/dbraw/zinc/35/92/29/357359229.db2.gz MSPQBEOXKBEUHW-LLVKDONJSA-N 1 0 309.370 1.028 20 5 DDBDRO Cc1nn(C)c(C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000597922500 357382512 /nfs/dbraw/zinc/38/25/12/357382512.db2.gz DXKBIFOBTVBAOG-JTQLQIEISA-N 1 0 309.370 1.239 20 5 DDBDRO C[C@@H](CCNC(=O)CCOc1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000597997082 357411559 /nfs/dbraw/zinc/41/15/59/357411559.db2.gz KYWXZKWAXFGVKJ-LBPRGKRZSA-N 1 0 309.366 1.820 20 5 DDBDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000598262852 357512919 /nfs/dbraw/zinc/51/29/19/357512919.db2.gz MTXVPMGEIUAXMJ-GFCCVEGCSA-N 1 0 309.370 1.028 20 5 DDBDRO CCC[N@@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC)C1 ZINC000598342080 357543816 /nfs/dbraw/zinc/54/38/16/357543816.db2.gz DKUPRFKMUXLSFR-LLVKDONJSA-N 1 0 307.350 1.818 20 5 DDBDRO Cc1c(CC(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)cccc1[N+](=O)[O-] ZINC000598667764 357678245 /nfs/dbraw/zinc/67/82/45/357678245.db2.gz KCMZGHMDJDTUAA-BBRMVZONSA-N 1 0 303.362 1.786 20 5 DDBDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000598773208 357723934 /nfs/dbraw/zinc/72/39/34/357723934.db2.gz MBYLAPWOVJJFEG-NSHDSACASA-N 1 0 322.365 1.546 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CC[C@@H]1CC1(F)F ZINC000598729950 357707125 /nfs/dbraw/zinc/70/71/25/357707125.db2.gz PASXPYCMHQIIRB-MNOVXSKESA-N 1 0 316.304 1.969 20 5 DDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(CC)CC[NH3+] ZINC000599105592 357816764 /nfs/dbraw/zinc/81/67/64/357816764.db2.gz DHHUMLOHTNHALU-UHFFFAOYSA-N 1 0 301.368 1.127 20 5 DDBDRO CC(C)[C@@H]1C[NH2+]CCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000599106039 357817497 /nfs/dbraw/zinc/81/74/97/357817497.db2.gz UCQSFVDXORLFPM-VIFPVBQESA-N 1 0 319.408 1.275 20 5 DDBDRO NC(=O)c1cc([N+](=O)[O-])cnc1NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000599164768 357835575 /nfs/dbraw/zinc/83/55/75/357835575.db2.gz MBKZHRHWEZVVSU-LLVKDONJSA-N 1 0 319.365 1.518 20 5 DDBDRO CCC1([NH+]2CCOCC2)CCN(c2ncc([N+](=O)[O-])cn2)CC1 ZINC000599187925 357844474 /nfs/dbraw/zinc/84/44/74/357844474.db2.gz RZOVPVIRFYRRPO-UHFFFAOYSA-N 1 0 321.381 1.466 20 5 DDBDRO C[C@@H]1C[NH+](CCn2cc([N+](=O)[O-])ccc2=O)C[C@@H](C)C1(F)F ZINC000599513105 357960904 /nfs/dbraw/zinc/96/09/04/357960904.db2.gz RAFFLGZMKUZIBH-GHMZBOCLSA-N 1 0 315.320 1.980 20 5 DDBDRO Cc1ccc(NC(=O)NCC[N@@H+]2CC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000599695554 358029861 /nfs/dbraw/zinc/02/98/61/358029861.db2.gz MWHITPZXABXGOX-GFCCVEGCSA-N 1 0 308.338 1.091 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000347975829 283313211 /nfs/dbraw/zinc/31/32/11/283313211.db2.gz HZIIGDBQCAKDMB-LBPRGKRZSA-N 1 0 306.366 1.901 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000599779355 358056495 /nfs/dbraw/zinc/05/64/95/358056495.db2.gz HCSGWDYQEUDRRB-GFCCVEGCSA-N 1 0 308.338 1.091 20 5 DDBDRO Cc1c(CNC(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)cccc1[N+](=O)[O-] ZINC000599918278 358080134 /nfs/dbraw/zinc/08/01/34/358080134.db2.gz NKCVPCNWAWSOBP-MFKMUULPSA-N 1 0 306.366 1.843 20 5 DDBDRO O=[N+]([O-])c1ccc(CO)c(-c2ccc(N3CC[NH2+]CC3)nc2)c1 ZINC000600781687 358313851 /nfs/dbraw/zinc/31/38/51/358313851.db2.gz GRPKGQLJVCFGKR-UHFFFAOYSA-N 1 0 314.345 1.559 20 5 DDBDRO O=C(NCC[N@H+]1CC[C@H](O)C1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000600809159 358320816 /nfs/dbraw/zinc/32/08/16/358320816.db2.gz TZKRPVZWSQPUDE-JTQLQIEISA-N 1 0 313.741 1.045 20 5 DDBDRO C[NH+](C)CCn1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)cn1 ZINC000600882712 358338222 /nfs/dbraw/zinc/33/82/22/358338222.db2.gz ABIIXHYAWPIDRM-UHFFFAOYSA-N 1 0 303.322 1.605 20 5 DDBDRO CC[C@@H]1CN(c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)C[C@H](C)[NH2+]1 ZINC000601203493 358445712 /nfs/dbraw/zinc/44/57/12/358445712.db2.gz RLIKHIIJIPAFTH-JGVFFNPUSA-N 1 0 321.303 1.924 20 5 DDBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000181137990 199255382 /nfs/dbraw/zinc/25/53/82/199255382.db2.gz ZDZYFZRNSMITKB-GFCCVEGCSA-N 1 0 320.393 1.981 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H]3C[NH2+]CC[C@@H]32)n1 ZINC000601552195 358597979 /nfs/dbraw/zinc/59/79/79/358597979.db2.gz JINZCARSUNTFAG-QWRGUYRKSA-N 1 0 307.354 1.025 20 5 DDBDRO C[NH+]1CCC2(CC1)CC(=O)NN(c1cccc([N+](=O)[O-])c1)C2=O ZINC000601932028 358744094 /nfs/dbraw/zinc/74/40/94/358744094.db2.gz LZWIEQZXGROXBX-UHFFFAOYSA-N 1 0 318.333 1.075 20 5 DDBDRO CO[C@@H]1C[NH2+][C@@](C)(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000602442785 358979289 /nfs/dbraw/zinc/97/92/89/358979289.db2.gz NHAXELLGLQSSOP-RIEGTJTDSA-N 1 0 307.350 1.539 20 5 DDBDRO C[C@H](CCO)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602560766 359046106 /nfs/dbraw/zinc/04/61/06/359046106.db2.gz MNEFILHNLQETEG-GFCCVEGCSA-N 1 0 308.382 1.567 20 5 DDBDRO COC[C@]1(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CCCC[NH2+]1 ZINC000602444965 358981474 /nfs/dbraw/zinc/98/14/74/358981474.db2.gz KENXWILBPYUNSQ-INIZCTEOSA-N 1 0 321.377 1.412 20 5 DDBDRO O=C(c1c(F)cccc1[N+](=O)[O-])N1CCC2(CC[NH2+]C2)CC1 ZINC000602489677 359012550 /nfs/dbraw/zinc/01/25/50/359012550.db2.gz DHDHUNPABJQYOQ-UHFFFAOYSA-N 1 0 307.325 1.950 20 5 DDBDRO O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000602605900 359068721 /nfs/dbraw/zinc/06/87/21/359068721.db2.gz VASBWAYFJDZRIO-STQMWFEESA-N 1 0 316.361 1.381 20 5 DDBDRO COc1ccc(CC(=O)N2CCCCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000602579485 359053757 /nfs/dbraw/zinc/05/37/57/359053757.db2.gz UNNDFKDPXRXXON-CYBMUJFWSA-N 1 0 321.377 1.876 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@@H]1C[NH+]1CCCC1 ZINC000602773299 359179791 /nfs/dbraw/zinc/17/97/91/359179791.db2.gz ZWVUSAYHYUEQOB-CQSZACIVSA-N 1 0 307.398 1.660 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3C[C@H]4CC[C@@H]3O4)CC2)cn1 ZINC000602701224 359132958 /nfs/dbraw/zinc/13/29/58/359132958.db2.gz XOCNURYIUKIQHA-KFWWJZLASA-N 1 0 318.377 1.868 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCc2ccc(O)cc2CC1 ZINC000602789027 359193373 /nfs/dbraw/zinc/19/33/73/359193373.db2.gz WPSMSCLYYFODSE-UHFFFAOYSA-N 1 0 316.361 1.906 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(NC(=O)C2CC2)CC1 ZINC000602763549 359174427 /nfs/dbraw/zinc/17/44/27/359174427.db2.gz PWJJNBKMUWERAD-UHFFFAOYSA-N 1 0 321.381 1.090 20 5 DDBDRO COC(=O)CC[N@H+](CCn1c(C)ncc1[N+](=O)[O-])CC(C)C ZINC000602767096 359176344 /nfs/dbraw/zinc/17/63/44/359176344.db2.gz VSAFZGLHJNTJIY-UHFFFAOYSA-N 1 0 312.370 1.621 20 5 DDBDRO CC[C@@H]1C[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000602823132 359217384 /nfs/dbraw/zinc/21/73/84/359217384.db2.gz YUGJCAGSRPPTMG-UKRRQHHQSA-N 1 0 324.381 1.370 20 5 DDBDRO CNC(=O)CC[C@@H]1CCCC[N@@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602825507 359220076 /nfs/dbraw/zinc/22/00/76/359220076.db2.gz CFQVTGNSUBDLGZ-ZDUSSCGKSA-N 1 0 323.397 1.480 20 5 DDBDRO CCOc1cc(C[N@@H+]2C[C@@H](O)C[C@]2(C)CO)ccc1[N+](=O)[O-] ZINC000602901552 359283394 /nfs/dbraw/zinc/28/33/94/359283394.db2.gz ZZASTAKXRNCCNN-SWLSCSKDSA-N 1 0 310.350 1.311 20 5 DDBDRO Cc1cnn(CC[NH2+][C@@](C)(CO)c2cccc([N+](=O)[O-])c2)c1 ZINC000602962907 359326185 /nfs/dbraw/zinc/32/61/85/359326185.db2.gz QHVLPOUTWRGDME-HNNXBMFYSA-N 1 0 304.350 1.597 20 5 DDBDRO Cc1nccn1CC[NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602963493 359326749 /nfs/dbraw/zinc/32/67/49/359326749.db2.gz WUIVJEHNDZJABR-HNNXBMFYSA-N 1 0 304.350 1.597 20 5 DDBDRO O=[N+]([O-])c1cccc(F)c1Cn1cc(C[C@H]2CC[NH2+]C2)nn1 ZINC000603204797 359479852 /nfs/dbraw/zinc/47/98/52/359479852.db2.gz ZLNQXRQAQREJKM-SNVBAGLBSA-N 1 0 305.313 1.526 20 5 DDBDRO Cn1cc(CN2CC[NH2+]C[C@@H]2c2ccccc2)c([N+](=O)[O-])n1 ZINC000603428282 359634252 /nfs/dbraw/zinc/63/42/52/359634252.db2.gz GMBWSCOSKLHIJA-CQSZACIVSA-N 1 0 301.350 1.475 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCN(CC[NH+]3CCCCC3)CC2)cn1 ZINC000604349844 359740913 /nfs/dbraw/zinc/74/09/13/359740913.db2.gz SFUOFPUGKDXBDB-UHFFFAOYSA-N 1 0 319.409 1.598 20 5 DDBDRO Cc1cc(C(=O)N2CCC(OCCC[NH3+])CC2)ccc1[N+](=O)[O-] ZINC000237680024 202327424 /nfs/dbraw/zinc/32/74/24/202327424.db2.gz QYOAISNCTGUPCG-UHFFFAOYSA-N 1 0 321.377 1.873 20 5 DDBDRO CNC(=O)c1ccc(NCC[N@@H+]2CCCOCC2)c([N+](=O)[O-])c1 ZINC000188496033 200256439 /nfs/dbraw/zinc/25/64/39/200256439.db2.gz BWPKEHLASUVOFI-UHFFFAOYSA-N 1 0 322.365 1.089 20 5 DDBDRO CC(C)[NH2+][C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C1 ZINC000609135335 360263760 /nfs/dbraw/zinc/26/37/60/360263760.db2.gz FLUVBOUKVOAHJU-SNVBAGLBSA-N 1 0 308.338 1.298 20 5 DDBDRO COc1cc(C[NH2+]CCCn2cncn2)c([N+](=O)[O-])cc1OC ZINC000609140498 360265815 /nfs/dbraw/zinc/26/58/15/360265815.db2.gz SUUDCDIDNXCUPT-UHFFFAOYSA-N 1 0 321.337 1.383 20 5 DDBDRO COCC[N@@H+]1CCC[C@H](NC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000609269558 360285400 /nfs/dbraw/zinc/28/54/00/360285400.db2.gz UAONIOPJQPNDGO-LBPRGKRZSA-N 1 0 307.350 1.435 20 5 DDBDRO COCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000609269896 360285534 /nfs/dbraw/zinc/28/55/34/360285534.db2.gz ZDPHISSCBIJCJB-CQSZACIVSA-N 1 0 321.377 1.744 20 5 DDBDRO COCC[N@@H+]1CCC[C@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000609279557 360287498 /nfs/dbraw/zinc/28/74/98/360287498.db2.gz JRIQMJQZOOLONE-ZDUSSCGKSA-N 1 0 322.365 1.827 20 5 DDBDRO C[N@@H+]1CCC[C@@H](N2CCN(c3ccsc3[N+](=O)[O-])CC2)C1 ZINC000609674473 360343176 /nfs/dbraw/zinc/34/31/76/360343176.db2.gz HBJMZBRFGZRJHO-GFCCVEGCSA-N 1 0 310.423 1.873 20 5 DDBDRO O=[N+]([O-])c1cccc(F)c1CN1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000609572570 360325984 /nfs/dbraw/zinc/32/59/84/360325984.db2.gz FEGWCYYWDUTHFJ-HOTGVXAUSA-N 1 0 323.368 1.765 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCc1nncn1CC ZINC000609851397 360356287 /nfs/dbraw/zinc/35/62/87/360356287.db2.gz FFQLKDWYUBQUNX-UHFFFAOYSA-N 1 0 319.365 1.937 20 5 DDBDRO Cc1nccc([C@@H]2CCC[N@H+](CCn3ccc([N+](=O)[O-])n3)C2)n1 ZINC000610485029 360447496 /nfs/dbraw/zinc/44/74/96/360447496.db2.gz ZTJODGNTFQBSTG-CYBMUJFWSA-N 1 0 316.365 1.769 20 5 DDBDRO O=C(CC[N@@H+]1CCc2c[nH]nc2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000611008783 360599979 /nfs/dbraw/zinc/59/99/79/360599979.db2.gz KOYFXAVTIPDMTE-UHFFFAOYSA-N 1 0 315.333 1.705 20 5 DDBDRO CC[N@H+](CCC(=O)OC)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611263732 360682968 /nfs/dbraw/zinc/68/29/68/360682968.db2.gz CZYQWDXEQVCRMX-UHFFFAOYSA-N 1 0 324.333 1.751 20 5 DDBDRO CC[C@@H]1C[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000281287260 216212584 /nfs/dbraw/zinc/21/25/84/216212584.db2.gz GTLNBITZTVPLCQ-HUUCEWRRSA-N 1 0 324.377 1.835 20 5 DDBDRO Cc1ccncc1[C@H](C)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000611939626 360863277 /nfs/dbraw/zinc/86/32/77/360863277.db2.gz SAIPGHGIPLZEJM-AAEUAGOBSA-N 1 0 305.338 1.206 20 5 DDBDRO O=[N+]([O-])c1cc(C[N@H+]2C[C@@H]3CC[C@H](O)[C@H]3C2)c2c(c1)COCO2 ZINC000612134114 360928767 /nfs/dbraw/zinc/92/87/67/360928767.db2.gz GSJRKLHXOVSRQX-LKTVYLICSA-N 1 0 320.345 1.664 20 5 DDBDRO COc1ccc(CC(=O)N[C@H](C[NH3+])C2CCCC2)cc1[N+](=O)[O-] ZINC000565886628 304101142 /nfs/dbraw/zinc/10/11/42/304101142.db2.gz NKDOPYMTGJSRQN-CYBMUJFWSA-N 1 0 321.377 1.780 20 5 DDBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H](CCO)C2CCOCC2)cc1 ZINC000613130262 361282066 /nfs/dbraw/zinc/28/20/66/361282066.db2.gz KIDGGPNKFHBOOH-MRXNPFEDSA-N 1 0 308.378 1.905 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N(C)[C@H](C)C[NH3+])c1 ZINC000193281792 201019416 /nfs/dbraw/zinc/01/94/16/201019416.db2.gz QKWHGSSFPBEDQX-MRVPVSSYSA-N 1 0 321.786 1.524 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@]2(CO)CCCc3ccccc32)n1 ZINC000281462963 216316926 /nfs/dbraw/zinc/31/69/26/216316926.db2.gz BBAINUSUXDMBJR-INIZCTEOSA-N 1 0 316.361 1.605 20 5 DDBDRO COCC[NH+]1CCC(NC(=O)c2c(C)cccc2[N+](=O)[O-])CC1 ZINC000194489949 201237496 /nfs/dbraw/zinc/23/74/96/201237496.db2.gz NTNFKGLNNQTZAK-UHFFFAOYSA-N 1 0 321.377 1.744 20 5 DDBDRO O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000292906906 223302862 /nfs/dbraw/zinc/30/28/62/223302862.db2.gz DVLVIHLFDOZEGU-QAMKJQMISA-N 1 0 301.346 1.818 20 5 DDBDRO C[C@H](C(=O)NC[C@@](C)(O)CC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000566058839 304112576 /nfs/dbraw/zinc/11/25/76/304112576.db2.gz COOSRZFJMNKWLN-LRDDRELGSA-N 1 0 323.393 1.517 20 5 DDBDRO Cc1cc(C)c(S(=O)(=O)NCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000293055988 223375086 /nfs/dbraw/zinc/37/50/86/223375086.db2.gz RAFJXFVBMUMHCW-UHFFFAOYSA-N 1 0 315.395 1.442 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C)c1cn[nH]c1 ZINC000275178717 212176455 /nfs/dbraw/zinc/17/64/55/212176455.db2.gz MQRWGLWMTJGQLC-JTQLQIEISA-N 1 0 303.322 1.916 20 5 DDBDRO C[NH2+][C@@H](C)CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000261755301 203109834 /nfs/dbraw/zinc/10/98/34/203109834.db2.gz NVODKNCJZAWFDW-JTQLQIEISA-N 1 0 303.322 1.118 20 5 DDBDRO O=C(NCC[C@@H]1CC[NH2+]C1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000262586339 203340703 /nfs/dbraw/zinc/34/07/03/203340703.db2.gz OVJPQSFMSTWRBW-NSHDSACASA-N 1 0 318.377 1.899 20 5 DDBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262619400 203352760 /nfs/dbraw/zinc/35/27/60/203352760.db2.gz HQAJVYXSJXLHEL-OLZOCXBDSA-N 1 0 319.361 1.717 20 5 DDBDRO C[C@@H]1[NH2+]CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)[C@H]1C ZINC000262724531 203393074 /nfs/dbraw/zinc/39/30/74/203393074.db2.gz GSSVGOCMRBYTDN-QWRGUYRKSA-N 1 0 318.377 1.992 20 5 DDBDRO O=c1cc2c(n[nH]1)CC[N@@H+](CC=Cc1ccccc1[N+](=O)[O-])C2 ZINC000274974940 212052203 /nfs/dbraw/zinc/05/22/03/212052203.db2.gz WSHVOHGALCFBTK-HWKANZROSA-N 1 0 312.329 1.750 20 5 DDBDRO C[C@@H](C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)[NH+]1CC(C)C1 ZINC000566443102 304157983 /nfs/dbraw/zinc/15/79/83/304157983.db2.gz YFOBDMJCTOAHHL-LBPRGKRZSA-N 1 0 303.362 1.820 20 5 DDBDRO C[N@@H+]1CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000566458979 304160892 /nfs/dbraw/zinc/16/08/92/304160892.db2.gz ZORIYEPEGZBEBZ-UHFFFAOYSA-N 1 0 321.377 1.916 20 5 DDBDRO CCCc1n[nH]c(C(=O)NCC[N@@H+]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000264641021 204047958 /nfs/dbraw/zinc/04/79/58/204047958.db2.gz BWPBBGBLWYNIBY-NSHDSACASA-N 1 0 323.397 1.875 20 5 DDBDRO CC[N@@H+]1CCN(C(=O)COc2ccc([N+](=O)[O-])c(C)c2)[C@H](C)C1 ZINC000288243903 220039423 /nfs/dbraw/zinc/03/94/23/220039423.db2.gz DUBJXGUIZFLICF-CYBMUJFWSA-N 1 0 321.377 1.835 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(N[C@H](C)CN2CC[NH+](C)CC2)c1 ZINC000266324244 205266235 /nfs/dbraw/zinc/26/62/35/205266235.db2.gz FYQZRYZCMRWFNG-GFCCVEGCSA-N 1 0 308.382 1.651 20 5 DDBDRO CCc1n[nH]c(C(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000288490005 220175468 /nfs/dbraw/zinc/17/54/68/220175468.db2.gz ROIRPQDEJWBKOD-GHMZBOCLSA-N 1 0 321.381 1.579 20 5 DDBDRO C[NH+](C)[C@]1(CNC(=O)c2cccc([N+](=O)[O-])c2N)CCSC1 ZINC000267456871 206080014 /nfs/dbraw/zinc/08/00/14/206080014.db2.gz QKMATSHUNLHEBL-AWEZNQCLSA-N 1 0 324.406 1.344 20 5 DDBDRO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261724413 284654507 /nfs/dbraw/zinc/65/45/07/284654507.db2.gz QKRSPVBUCMNKNZ-UWVGGRQHSA-N 1 0 309.753 1.930 20 5 DDBDRO COc1ccc(S(=O)(=O)N[C@H](C)CCC[NH3+])c([N+](=O)[O-])c1 ZINC000336847708 249255173 /nfs/dbraw/zinc/25/51/73/249255173.db2.gz GBHINMNQLLIWJX-SECBINFHSA-N 1 0 317.367 1.009 20 5 DDBDRO Cc1nn(C)c(C(=O)N(CC[NH+](C)C)CC(C)C)c1[N+](=O)[O-] ZINC000104529671 194013934 /nfs/dbraw/zinc/01/39/34/194013934.db2.gz FUXGIVAZGRWATF-UHFFFAOYSA-N 1 0 311.386 1.297 20 5 DDBDRO C[N@H+](CCNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)C1CC1 ZINC000338889655 250183532 /nfs/dbraw/zinc/18/35/32/250183532.db2.gz IIZARROGGLISIJ-UHFFFAOYSA-N 1 0 302.334 1.900 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000273764919 211038616 /nfs/dbraw/zinc/03/86/16/211038616.db2.gz PSROXLNKMUHJPH-CQSZACIVSA-N 1 0 318.377 1.939 20 5 DDBDRO C[N@@H+]1CC[C@H](CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000109849691 194294204 /nfs/dbraw/zinc/29/42/04/194294204.db2.gz BGWMDYGRGUEWBB-LLVKDONJSA-N 1 0 318.377 1.851 20 5 DDBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000340968971 251310103 /nfs/dbraw/zinc/31/01/03/251310103.db2.gz DBCWWZJCCVILRK-LBPRGKRZSA-N 1 0 319.361 1.717 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CCC3(CC2)OCCO3)c1 ZINC000062351201 184231429 /nfs/dbraw/zinc/23/14/29/184231429.db2.gz DCRVZGUGXDQJFQ-AWEZNQCLSA-N 1 0 308.334 1.467 20 5 DDBDRO CC(C)C(=O)NCC[N@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000271152510 208663888 /nfs/dbraw/zinc/66/38/88/208663888.db2.gz ITQUOXXUPVTEFU-CQSZACIVSA-N 1 0 309.366 1.332 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@]3(C2)OCc2ccccc23)c1 ZINC000186687422 285189514 /nfs/dbraw/zinc/18/95/14/285189514.db2.gz BPXUSMKUXCGTKN-MRXNPFEDSA-N 1 0 314.345 1.923 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H]1CCC[NH2+]C1 ZINC000415509908 533141758 /nfs/dbraw/zinc/14/17/58/533141758.db2.gz XTFCYHMOHJLCPW-JTQLQIEISA-N 1 0 308.338 1.725 20 5 DDBDRO C[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1CCC[C@H]1O ZINC000352657976 285202528 /nfs/dbraw/zinc/20/25/28/285202528.db2.gz CPNFMVGJLPMTBJ-QWHCGFSZSA-N 1 0 318.333 1.990 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CN[C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422718202 533221897 /nfs/dbraw/zinc/22/18/97/533221897.db2.gz PIEMKJNPXZSSRX-HZPDHXFCSA-N 1 0 321.377 1.460 20 5 DDBDRO COc1ccc(CNC(=O)C23CCC[NH+]2CCC3)cc1[N+](=O)[O-] ZINC000289796609 221232992 /nfs/dbraw/zinc/23/29/92/221232992.db2.gz YYNDWTDQOMCKTM-UHFFFAOYSA-N 1 0 319.361 1.848 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000414658732 533225808 /nfs/dbraw/zinc/22/58/08/533225808.db2.gz RKEVGDOOZPSKMP-SKDRFNHKSA-N 1 0 306.322 1.429 20 5 DDBDRO COc1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc([N+](=O)[O-])c1C ZINC000422881592 533525715 /nfs/dbraw/zinc/52/57/15/533525715.db2.gz QPEVQAKKGIJGIE-OLZOCXBDSA-N 1 0 319.361 1.878 20 5 DDBDRO C[C@H](NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)c1cccc([N+](=O)[O-])c1 ZINC000417136991 533603300 /nfs/dbraw/zinc/60/33/00/533603300.db2.gz LUUXHXAESBYYGJ-SUHUHFCYSA-N 1 0 304.350 1.659 20 5 DDBDRO COc1ccc(CNC(=O)N2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000417196597 533598987 /nfs/dbraw/zinc/59/89/87/533598987.db2.gz UCBJLBQHPUSMAQ-LLVKDONJSA-N 1 0 308.338 1.236 20 5 DDBDRO COc1cc(C(=O)N[C@H]2CC[NH2+][C@H](C)C2)cc([N+](=O)[O-])c1C ZINC000423619206 533554233 /nfs/dbraw/zinc/55/42/33/533554233.db2.gz IBCFQDKZAIPTPZ-SKDRFNHKSA-N 1 0 307.350 1.782 20 5 DDBDRO COC(=O)COc1ccc(C[NH2+][C@@H]2CC23CC3)cc1[N+](=O)[O-] ZINC000424184229 533558572 /nfs/dbraw/zinc/55/85/72/533558572.db2.gz LSEVPQABSCITBK-CYBMUJFWSA-N 1 0 306.318 1.789 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CC2CCOCC2)c1 ZINC000568381837 304289350 /nfs/dbraw/zinc/28/93/50/304289350.db2.gz BSKNFDZVXVWJGF-CQSZACIVSA-N 1 0 310.350 1.351 20 5 DDBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CCC[NH2+]CC1 ZINC000237751690 296504840 /nfs/dbraw/zinc/50/48/40/296504840.db2.gz HVYDODOUERNDNO-UHFFFAOYSA-N 1 0 319.770 1.232 20 5 DDBDRO Cn1cc([N+](=O)[O-])c(C(=O)NCC2([NH+](C)C)CCCCCC2)n1 ZINC000271184087 407559168 /nfs/dbraw/zinc/55/91/68/407559168.db2.gz ZFPWJQIBALQUJY-UHFFFAOYSA-N 1 0 323.397 1.713 20 5 DDBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]C[C@@H](O)Cn2cccn2)cc1 ZINC000570564611 304415152 /nfs/dbraw/zinc/41/51/52/304415152.db2.gz WMUCEORVQOLWPF-MRXNPFEDSA-N 1 0 318.377 1.765 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@H]2CCC[NH2+]C2)c1C ZINC000071397243 406839452 /nfs/dbraw/zinc/83/94/52/406839452.db2.gz DULYCXOBZUWZIV-NSHDSACASA-N 1 0 313.379 1.242 20 5 DDBDRO CC[NH+]1CCC(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000014252309 406875420 /nfs/dbraw/zinc/87/54/20/406875420.db2.gz IBLCFIVYTGBMAC-UHFFFAOYSA-N 1 0 313.379 1.357 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCCC[C@@H]2CCO)c1 ZINC000071794361 406842366 /nfs/dbraw/zinc/84/23/66/406842366.db2.gz CXIGFPVFGCSJGP-HIFRSBDPSA-N 1 0 324.377 1.571 20 5 DDBDRO CCOc1cc(C(=O)NCC[NH+](C)C)c([N+](=O)[O-])cc1OC ZINC000052893389 407159206 /nfs/dbraw/zinc/15/92/06/407159206.db2.gz AKQANXNRHSVJBC-UHFFFAOYSA-N 1 0 311.338 1.294 20 5 DDBDRO C[C@]1(O)CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000123963508 407344168 /nfs/dbraw/zinc/34/41/68/407344168.db2.gz KFCVBOGQZZBZII-HNNXBMFYSA-N 1 0 307.350 1.770 20 5 DDBDRO COC[C@@H]1CC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000265822722 407469173 /nfs/dbraw/zinc/46/91/73/407469173.db2.gz SFFZMFDQGPCZGC-GFCCVEGCSA-N 1 0 307.350 1.526 20 5 DDBDRO C[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1F)[N@H+](C)C1CC1 ZINC000152043253 407549950 /nfs/dbraw/zinc/54/99/50/407549950.db2.gz MFQXOTMJDPDPMA-JTQLQIEISA-N 1 0 309.341 1.875 20 5 DDBDRO COc1cc(OCC(=O)N2CCC[N@H+](C)CC2)ccc1[N+](=O)[O-] ZINC000114675591 407596283 /nfs/dbraw/zinc/59/62/83/407596283.db2.gz VPQHHLKEZMZNIL-UHFFFAOYSA-N 1 0 323.349 1.146 20 5 DDBDRO CCOc1ccc(NC(=O)CN2CC[NH2+]C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000261911977 407668659 /nfs/dbraw/zinc/66/86/59/407668659.db2.gz YIAKPVVEVDCHCF-NSHDSACASA-N 1 0 322.365 1.226 20 5 DDBDRO Cc1ccc([C@H](C)[NH2+]CCS(=O)(=O)N(C)C)cc1[N+](=O)[O-] ZINC000230994433 407696564 /nfs/dbraw/zinc/69/65/64/407696564.db2.gz ODNGLOCQQYVRDD-NSHDSACASA-N 1 0 315.395 1.445 20 5 DDBDRO CN(Cc1nc(C2([NH3+])CCC2)no1)c1ccccc1[N+](=O)[O-] ZINC000262003746 407706851 /nfs/dbraw/zinc/70/68/51/407706851.db2.gz UJFAWLSLHJWBAO-UHFFFAOYSA-N 1 0 303.322 1.952 20 5 DDBDRO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC1(CO)CC1 ZINC000186775444 407770361 /nfs/dbraw/zinc/77/03/61/407770361.db2.gz WRJBQPODGKRFPX-UHFFFAOYSA-N 1 0 307.350 1.628 20 5 DDBDRO COc1ccc(-c2ccc(CN[C@H](C)C(N)=O)o2)c([N+](=O)[O-])c1 ZINC000237288630 407809170 /nfs/dbraw/zinc/80/91/70/407809170.db2.gz RKESGYHKQZQBFS-SECBINFHSA-N 1 0 319.317 1.827 20 5 DDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[C@H]2CCC[NH2+]C2)s1 ZINC000237970413 407861036 /nfs/dbraw/zinc/86/10/36/407861036.db2.gz YOIRPAMQTQBQKC-SECBINFHSA-N 1 0 319.408 1.324 20 5 DDBDRO C[C@@H]1CN(CCCOc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1CCO ZINC000187727828 407883535 /nfs/dbraw/zinc/88/35/35/407883535.db2.gz YGIRYTXGFJISRV-CQSZACIVSA-N 1 0 323.393 1.362 20 5 DDBDRO CCc1n[nH]c(C(=O)NCC2(C)CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000272551328 407978208 /nfs/dbraw/zinc/97/82/08/407978208.db2.gz RIBOMSSWDZOHCV-UHFFFAOYSA-N 1 0 309.370 1.342 20 5 DDBDRO Cc1cc(S(=O)(=O)N2CC[NH2+][C@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000262786315 407929622 /nfs/dbraw/zinc/92/96/22/407929622.db2.gz QMLARHRTXPHLEL-GHMZBOCLSA-N 1 0 313.379 1.274 20 5 DDBDRO Cc1cc(S(=O)(=O)N2CC[NH2+][C@@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000262786322 407929781 /nfs/dbraw/zinc/92/97/81/407929781.db2.gz QMLARHRTXPHLEL-WDEREUQCSA-N 1 0 313.379 1.274 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000268278936 407982562 /nfs/dbraw/zinc/98/25/62/407982562.db2.gz WUSBWOKCUIEELZ-GWCFXTLKSA-N 1 0 321.381 1.089 20 5 DDBDRO C[N@@H+]1CCC[C@H](CNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000181663481 408025457 /nfs/dbraw/zinc/02/54/57/408025457.db2.gz NLAFWVDQLQAKAA-SNVBAGLBSA-N 1 0 321.333 1.395 20 5 DDBDRO O=C(NC[C@@H]1CC[NH2+]C1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000273029837 408025611 /nfs/dbraw/zinc/02/56/11/408025611.db2.gz MPRXTUBVPBUULY-LLVKDONJSA-N 1 0 315.333 1.120 20 5 DDBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000154747723 408078022 /nfs/dbraw/zinc/07/80/22/408078022.db2.gz SAEWQPORRKZVSO-LLVKDONJSA-N 1 0 314.345 1.967 20 5 DDBDRO NC(=O)C[C@H]1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000175250752 408088257 /nfs/dbraw/zinc/08/82/57/408088257.db2.gz UGQAPVYUGKRRDD-GFCCVEGCSA-N 1 0 307.350 1.561 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)CC1(O)CCOCC1 ZINC000189776713 408102983 /nfs/dbraw/zinc/10/29/83/408102983.db2.gz LZXWVSHQXPBYRN-UHFFFAOYSA-N 1 0 324.377 1.967 20 5 DDBDRO C[C@H](CCNC(=O)Cn1ccc([N+](=O)[O-])n1)[NH+]1CCCCC1 ZINC000182243665 408104602 /nfs/dbraw/zinc/10/46/02/408104602.db2.gz CODYCQTZVMGLPF-GFCCVEGCSA-N 1 0 309.370 1.172 20 5 DDBDRO COc1ccc(NC(=O)C[C@@H]2CSCC[NH2+]2)cc1[N+](=O)[O-] ZINC000136481895 408106889 /nfs/dbraw/zinc/10/68/89/408106889.db2.gz PVJRZHLWCDQCMX-SNVBAGLBSA-N 1 0 311.363 1.637 20 5 DDBDRO Cc1nn(C)c(C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000263783301 408256776 /nfs/dbraw/zinc/25/67/76/408256776.db2.gz HGEOLLYQZYOTCD-GFCCVEGCSA-N 1 0 321.381 1.337 20 5 DDBDRO CNC(=O)[C@H](C)C[N@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000246284900 408203601 /nfs/dbraw/zinc/20/36/01/408203601.db2.gz XESUDVFLGSKCDT-GHMZBOCLSA-N 1 0 322.365 1.236 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)c1[N+](=O)[O-] ZINC000269328125 408270015 /nfs/dbraw/zinc/27/00/15/408270015.db2.gz DMSYRUHWKIRJJX-QWRGUYRKSA-N 1 0 321.381 1.750 20 5 DDBDRO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC(=O)NC1CC1 ZINC000122339074 408283650 /nfs/dbraw/zinc/28/36/50/408283650.db2.gz PUNNAORFMUPTLJ-UHFFFAOYSA-N 1 0 320.349 1.134 20 5 DDBDRO O=C(NCC1CC1)[C@@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176210438 408309265 /nfs/dbraw/zinc/30/92/65/408309265.db2.gz SIZWUWPDOLROML-CYBMUJFWSA-N 1 0 321.381 1.030 20 5 DDBDRO C[NH+](C)C1CN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000158408526 408338757 /nfs/dbraw/zinc/33/87/57/408338757.db2.gz DSZQURFGNIRSKU-UHFFFAOYSA-N 1 0 315.333 1.167 20 5 DDBDRO COCC[NH+]1CCC(NC(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000138547403 162130011 /nfs/dbraw/zinc/13/00/11/162130011.db2.gz UFOTVYNROYWDBZ-UHFFFAOYSA-N 1 0 307.350 1.435 20 5 DDBDRO NC(=O)C1([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000269672302 408384786 /nfs/dbraw/zinc/38/47/86/408384786.db2.gz VFBPIEFRLZNLDG-CYBMUJFWSA-N 1 0 307.350 1.406 20 5 DDBDRO CCC[C@H]([NH2+]CC(=O)N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000183364735 408389486 /nfs/dbraw/zinc/38/94/86/408389486.db2.gz SPTGASQTNPMQNK-HNNXBMFYSA-N 1 0 321.377 1.884 20 5 DDBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000270414113 408526470 /nfs/dbraw/zinc/52/64/70/408526470.db2.gz SCHDRSYYDYRGBY-OAHLLOKOSA-N 1 0 320.393 1.921 20 5 DDBDRO CC(C)C[C@@]1(CO)CCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000191666485 408467990 /nfs/dbraw/zinc/46/79/90/408467990.db2.gz OYQCLZHTIPLASC-MRXNPFEDSA-N 1 0 323.393 1.630 20 5 DDBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000247410647 408468899 /nfs/dbraw/zinc/46/88/99/408468899.db2.gz NFQPZUUGNMGDEL-TZMCWYRMSA-N 1 0 305.378 1.936 20 5 DDBDRO CCCc1n[nH]c(C(=O)N(C)C[C@H]2CC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000264680832 408544590 /nfs/dbraw/zinc/54/45/90/408544590.db2.gz PFOULJVORCDCCB-JTQLQIEISA-N 1 0 309.370 1.294 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@@H]2c2ccncc2)c1 ZINC000270544555 408572840 /nfs/dbraw/zinc/57/28/40/408572840.db2.gz MBWJOXNFVCFQGS-HUUCEWRRSA-N 1 0 317.349 1.384 20 5 DDBDRO CNC(=O)[C@H](C)C[N@H+](C)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000184229433 408572935 /nfs/dbraw/zinc/57/29/35/408572935.db2.gz PLGXTWGVGPYFOX-SECBINFHSA-N 1 0 313.329 1.556 20 5 DDBDRO C[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C[C@H]1CCCO1 ZINC000248478435 408577562 /nfs/dbraw/zinc/57/75/62/408577562.db2.gz ZGOFVNJCMWRHLN-CHWSQXEVSA-N 1 0 310.350 1.445 20 5 DDBDRO COc1ccc(C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1[N+](=O)[O-] ZINC000248593820 408592727 /nfs/dbraw/zinc/59/27/27/408592727.db2.gz HQHBULNYJIEYDB-SRVKXCTJSA-N 1 0 305.334 1.413 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000177522328 408645144 /nfs/dbraw/zinc/64/51/44/408645144.db2.gz HKXMMSSQQQXLPL-NEPJUHHUSA-N 1 0 309.370 1.089 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000177522341 408645617 /nfs/dbraw/zinc/64/56/17/408645617.db2.gz HKXMMSSQQQXLPL-RYUDHWBXSA-N 1 0 309.370 1.089 20 5 DDBDRO C[NH2+]C[C@H]1CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000179003528 162706751 /nfs/dbraw/zinc/70/67/51/162706751.db2.gz RPYJOUPZXPFBBY-LLVKDONJSA-N 1 0 309.391 1.755 20 5 DDBDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000177529584 408647544 /nfs/dbraw/zinc/64/75/44/408647544.db2.gz MFGGKAFBXJUWRE-STQMWFEESA-N 1 0 320.393 1.996 20 5 DDBDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000270746072 408662619 /nfs/dbraw/zinc/66/26/19/408662619.db2.gz HFGOYJOEADUIFR-IJLUTSLNSA-N 1 0 323.397 1.425 20 5 DDBDRO O=C1CCCN1[C@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000270872995 408720245 /nfs/dbraw/zinc/72/02/45/408720245.db2.gz JLEMJKCGSARHGN-ZDUSSCGKSA-N 1 0 319.361 1.670 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[N@H+](C[C@H](C)O)C[C@H]1C ZINC000249507528 408733627 /nfs/dbraw/zinc/73/36/27/408733627.db2.gz LKVRLXFUBPWPED-OLZOCXBDSA-N 1 0 323.393 1.490 20 5 DDBDRO CC[N@H+](CCO)CCNC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000185338656 408797995 /nfs/dbraw/zinc/79/79/95/408797995.db2.gz XDZFPCKEJOJPDB-UHFFFAOYSA-N 1 0 310.354 1.339 20 5 DDBDRO CCC[C@@H](C)[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000178000210 408755273 /nfs/dbraw/zinc/75/52/73/408755273.db2.gz UTWMOWUWXQHAKT-LLVKDONJSA-N 1 0 315.395 1.651 20 5 DDBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000168307105 408818710 /nfs/dbraw/zinc/81/87/10/408818710.db2.gz NDYSOTJPMMEURY-LLVKDONJSA-N 1 0 307.350 1.818 20 5 DDBDRO C[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)[C@@H]1COc2ccccc21 ZINC000185563805 162936370 /nfs/dbraw/zinc/93/63/70/162936370.db2.gz QPEKZPUWRAIGFH-YPMHNXCESA-N 1 0 302.334 1.946 20 5 DDBDRO CC(C)[C@@H]([NH3+])CNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000285750152 408857117 /nfs/dbraw/zinc/85/71/17/408857117.db2.gz PXPKRECMNBUNQY-NSHDSACASA-N 1 0 317.349 1.494 20 5 DDBDRO COC(=O)c1cnc(N2CC[C@@H]([NH+]3CC=CC3)C2)c([N+](=O)[O-])c1 ZINC000276657719 408894577 /nfs/dbraw/zinc/89/45/77/408894577.db2.gz CKTFWFABLNOZQG-GFCCVEGCSA-N 1 0 318.333 1.227 20 5 DDBDRO C[C@@H](NC(=O)c1cc([N+](=O)[O-])n[nH]1)[C@@H](c1ccccc1)[NH+](C)C ZINC000285984767 408902348 /nfs/dbraw/zinc/90/23/48/408902348.db2.gz FZONWUZDTCOFLD-YGRLFVJLSA-N 1 0 317.349 1.739 20 5 DDBDRO C[NH+](C)[C@H]1CCCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000277173582 408906833 /nfs/dbraw/zinc/90/68/33/408906833.db2.gz MVIKUOJDLRARDK-LBPRGKRZSA-N 1 0 306.366 1.614 20 5 DDBDRO CN(CCC[NH+]1CCCC1)C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000281686473 408911258 /nfs/dbraw/zinc/91/12/58/408911258.db2.gz LCFWDEVROPZSDQ-UHFFFAOYSA-N 1 0 309.370 1.126 20 5 DDBDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000285912850 408887054 /nfs/dbraw/zinc/88/70/54/408887054.db2.gz ZECFFXYIXNLSNO-LLVKDONJSA-N 1 0 309.370 1.416 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCC([C@H]3CCCO3)CC2)c1 ZINC000189162907 163086678 /nfs/dbraw/zinc/08/66/78/163086678.db2.gz VOWSWOGUPFORNH-HUUCEWRRSA-N 1 0 324.381 1.043 20 5 DDBDRO COCCN1CCCN(Cc2ccccc2[N+](=O)[O-])CC1=O ZINC000190755140 163157434 /nfs/dbraw/zinc/15/74/34/163157434.db2.gz VFMXLYKOQVGGRP-UHFFFAOYSA-N 1 0 307.350 1.276 20 5 DDBDRO O=C(CCOc1ccccc1[N+](=O)[O-])NCCCn1ccnc1 ZINC000193655081 163264951 /nfs/dbraw/zinc/26/49/51/163264951.db2.gz MCOMHUAQTSQUHM-UHFFFAOYSA-N 1 0 318.333 1.767 20 5 DDBDRO COCC[NH+]1CCC(Nc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000194957845 163301510 /nfs/dbraw/zinc/30/15/10/163301510.db2.gz KODSIUCDNRDCPB-UHFFFAOYSA-N 1 0 322.365 1.216 20 5 DDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000216006132 163330610 /nfs/dbraw/zinc/33/06/10/163330610.db2.gz AIONDRURXAQLQI-ONGXEEELSA-N 1 0 313.379 1.261 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H](C)[N@H+](C)C2CC2)n1 ZINC000286332328 408965215 /nfs/dbraw/zinc/96/52/15/408965215.db2.gz BKJHXSYMOLICTC-SECBINFHSA-N 1 0 308.338 1.671 20 5 DDBDRO C[N@@H+]1CC[C@]2(CCN(C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)C1 ZINC000292078771 408975510 /nfs/dbraw/zinc/97/55/10/408975510.db2.gz FLJCKMZLTQYALI-HOTGVXAUSA-N 1 0 305.378 1.656 20 5 DDBDRO CC[N@H+](C)CCNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000277613994 408977677 /nfs/dbraw/zinc/97/76/77/408977677.db2.gz BBEMLJBQTNVZGQ-UHFFFAOYSA-N 1 0 320.353 1.222 20 5 DDBDRO C[C@@H](CCCC[NH3+])NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000292136758 408986914 /nfs/dbraw/zinc/98/69/14/408986914.db2.gz SDQSUMLPVSXTRI-VIFPVBQESA-N 1 0 310.310 1.750 20 5 DDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)[C@@H]1CCC[C@H]1O ZINC000286447334 408986901 /nfs/dbraw/zinc/98/69/01/408986901.db2.gz JQPMKXHCGYSHGD-LERXQTSPSA-N 1 0 307.350 1.767 20 5 DDBDRO CS(=O)(=O)C[C@H]1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000292255517 409010461 /nfs/dbraw/zinc/01/04/61/409010461.db2.gz PDSUXYSVPSCTAR-NSHDSACASA-N 1 0 316.354 1.600 20 5 DDBDRO CN1CC[N@H+](C)C[C@H]1CNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000287304866 409016562 /nfs/dbraw/zinc/01/65/62/409016562.db2.gz LOEOOZAHOHWQPG-SECBINFHSA-N 1 0 322.394 1.257 20 5 DDBDRO CCc1n[nH]c(C(=O)N[C@@H]2CCC[N@@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000277895385 409030208 /nfs/dbraw/zinc/03/02/08/409030208.db2.gz GDRCOEPNCLMJOQ-SNVBAGLBSA-N 1 0 309.370 1.483 20 5 DDBDRO O=C(COc1cccc([N+](=O)[O-])c1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000293584294 409143222 /nfs/dbraw/zinc/14/32/22/409143222.db2.gz YTKDAURPXRKHQZ-RISCZKNCSA-N 1 0 305.334 1.184 20 5 DDBDRO Cc1cc(C(=O)N2CC[C@@H]([N@H+](C)CCO)[C@H]2C)ccc1[N+](=O)[O-] ZINC000293797181 409181877 /nfs/dbraw/zinc/18/18/77/409181877.db2.gz XXOOKENUVQHEKS-IUODEOHRSA-N 1 0 321.377 1.430 20 5 DDBDRO C[NH2+]CCC1CCN(C(=O)c2c([N+](=O)[O-])c(C)nn2C)CC1 ZINC000261980438 163741984 /nfs/dbraw/zinc/74/19/84/163741984.db2.gz CMMCKSDLTOTWTQ-UHFFFAOYSA-N 1 0 309.370 1.098 20 5 DDBDRO C[C@@H]1CN(C(=O)CNc2ccccc2[N+](=O)[O-])C[C@H](C)[N@H+]1C ZINC000293926784 409207920 /nfs/dbraw/zinc/20/79/20/409207920.db2.gz HNJXYKXBBJMSCP-TXEJJXNPSA-N 1 0 306.366 1.558 20 5 DDBDRO CN(C(=O)C[N@@H+]1CCC[C@@](C)(O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000280275886 409283119 /nfs/dbraw/zinc/28/31/19/409283119.db2.gz YNEVBANIAGAOLW-MRXNPFEDSA-N 1 0 321.377 1.795 20 5 DDBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2C[C@@H](O)[C@@H](O)C2)c1 ZINC000294362427 409286477 /nfs/dbraw/zinc/28/64/77/409286477.db2.gz ZYNMACCAAZQGIU-PHIMTYICSA-N 1 0 306.240 1.151 20 5 DDBDRO COC[C@@](C)(CCO)[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000284237533 409301351 /nfs/dbraw/zinc/30/13/51/409301351.db2.gz VKPXXWZDUJKDLE-CYBMUJFWSA-N 1 0 313.310 1.380 20 5 DDBDRO Cc1nc(NCCC[N@@H+]2CCCO[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000295083734 409315793 /nfs/dbraw/zinc/31/57/93/409315793.db2.gz RMVOBGIQMXOMLI-NSHDSACASA-N 1 0 309.370 1.606 20 5 DDBDRO CN(C)c1cc(F)c(C(=O)N(C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000295277508 409412433 /nfs/dbraw/zinc/41/24/33/409412433.db2.gz LXVMSDISNNBQAR-UHFFFAOYSA-N 1 0 312.345 1.434 20 5 DDBDRO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000285382664 409419298 /nfs/dbraw/zinc/41/92/98/409419298.db2.gz GSSPQWYNKCSSCU-LLVKDONJSA-N 1 0 307.354 1.408 20 5 DDBDRO Cc1ccc(S(=O)(=O)N[C@H](C)CCC[NH3+])cc1[N+](=O)[O-] ZINC000313557499 164010562 /nfs/dbraw/zinc/01/05/62/164010562.db2.gz SXJBPOJTKNXXDI-SNVBAGLBSA-N 1 0 301.368 1.309 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2CC[N@H+](C)[C@H](C)C2)n1 ZINC000319187105 164034878 /nfs/dbraw/zinc/03/48/78/164034878.db2.gz OSBAEQIEXGKSQB-NXEZZACHSA-N 1 0 308.338 1.671 20 5 DDBDRO COCC(=O)N1CCC([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000319938475 164039316 /nfs/dbraw/zinc/03/93/16/164039316.db2.gz SCCBGCJAVMNJAF-GFCCVEGCSA-N 1 0 321.377 1.883 20 5 DDBDRO COC(=O)c1cc(OC[C@H](O)C[N@H+](C)C2CC2)ccc1[N+](=O)[O-] ZINC000290750587 409508417 /nfs/dbraw/zinc/50/84/17/409508417.db2.gz ISCFUJJJPHANIL-LLVKDONJSA-N 1 0 324.333 1.215 20 5 DDBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000342452882 409643148 /nfs/dbraw/zinc/64/31/48/409643148.db2.gz QPLOYVQMBSLFLY-DGCLKSJQSA-N 1 0 319.361 1.573 20 5 DDBDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000356835252 409646623 /nfs/dbraw/zinc/64/66/23/409646623.db2.gz BLKAMKFRESEIQY-NWDGAFQWSA-N 1 0 307.350 1.525 20 5 DDBDRO C[C@H]([NH2+][C@H]1CCCN(C)[C@@H]1C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000342709361 409835406 /nfs/dbraw/zinc/83/54/06/409835406.db2.gz JUMUHURTZHADPT-ZOWXZIJZSA-N 1 0 320.393 1.994 20 5 DDBDRO C[NH+](C)CC(C)(C)Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000308658807 409784531 /nfs/dbraw/zinc/78/45/31/409784531.db2.gz PDYURRXKCBGBPK-UHFFFAOYSA-N 1 0 315.395 1.750 20 5 DDBDRO COc1cc(C[N@@H+]2C[C@@H]3CC[C@H](O)[C@H]3C2)c([N+](=O)[O-])cc1OC ZINC000346319630 409913940 /nfs/dbraw/zinc/91/39/40/409913940.db2.gz CMGLOKKIDHYPHZ-JKOKRWQUSA-N 1 0 322.361 1.815 20 5 DDBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@H]1CCS(=O)(=O)C1 ZINC000354450204 409865608 /nfs/dbraw/zinc/86/56/08/409865608.db2.gz JXTMVVOUERYFPW-CYBMUJFWSA-N 1 0 312.391 1.504 20 5 DDBDRO C[C@H](C[NH+](C)C)NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000346264638 409891367 /nfs/dbraw/zinc/89/13/67/409891367.db2.gz OBCFQJBAFFXZFY-LLVKDONJSA-N 1 0 317.349 1.460 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000332222856 409992467 /nfs/dbraw/zinc/99/24/67/409992467.db2.gz MFJAQAYMMKBIQS-NEPJUHHUSA-N 1 0 304.350 1.976 20 5 DDBDRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000346727122 410114349 /nfs/dbraw/zinc/11/43/49/410114349.db2.gz JZNLEFVCPOLXPZ-GFCCVEGCSA-N 1 0 310.354 1.106 20 5 DDBDRO C[C@H](CC(N)=O)[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000343099422 410143508 /nfs/dbraw/zinc/14/35/08/410143508.db2.gz VDBXPIGNOQYLOM-ZJUUUORDSA-N 1 0 308.338 1.165 20 5 DDBDRO C[C@H]1C[C@@H](NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC[N@@H+]1C ZINC000332695036 410217989 /nfs/dbraw/zinc/21/79/89/410217989.db2.gz RJERJTBNEAAPTB-ONGXEEELSA-N 1 0 321.333 1.536 20 5 DDBDRO COc1ccc(NC(=O)CC[N@H+](C)C2(CO)CC2)c([N+](=O)[O-])c1 ZINC000298571327 410293919 /nfs/dbraw/zinc/29/39/19/410293919.db2.gz QIBDNNVVSNBAOP-UHFFFAOYSA-N 1 0 323.349 1.389 20 5 DDBDRO CCOC(=O)CC[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000343463244 410474998 /nfs/dbraw/zinc/47/49/98/410474998.db2.gz UPHOZFAEEILLOA-UHFFFAOYSA-N 1 0 323.349 1.808 20 5 DDBDRO C[N@@H+]1CC[C@](O)(CNc2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000358295507 410441883 /nfs/dbraw/zinc/44/18/83/410441883.db2.gz BRBMLXOIMXDKGO-ZDUSSCGKSA-N 1 0 317.292 1.675 20 5 DDBDRO COc1ccc(C(=O)N[C@H]2CCC[N@H+](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000343525034 410508757 /nfs/dbraw/zinc/50/87/57/410508757.db2.gz LSZZEVSEIMJNMJ-JQWIXIFHSA-N 1 0 307.350 1.816 20 5 DDBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000340088159 410665822 /nfs/dbraw/zinc/66/58/22/410665822.db2.gz IOHJJXLZKQLDTC-CYBMUJFWSA-N 1 0 318.377 1.673 20 5 DDBDRO C[N@@H+]1CCC[C@H](N2CCN(c3ncccc3[N+](=O)[O-])CC2)C1 ZINC000301301643 410695148 /nfs/dbraw/zinc/69/51/48/410695148.db2.gz RKKUVLFDLJKLEJ-ZDUSSCGKSA-N 1 0 305.382 1.206 20 5 DDBDRO Cc1ccnc(N2CCC[N@@H+](C3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000301369505 410709181 /nfs/dbraw/zinc/70/91/81/410709181.db2.gz PHWXIJMHWHXBOX-UHFFFAOYSA-N 1 0 320.393 1.989 20 5 DDBDRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])c1ccco1 ZINC000359533384 410713745 /nfs/dbraw/zinc/71/37/45/410713745.db2.gz AFCSYKBEFBUAQV-ZJUUUORDSA-N 1 0 321.337 1.770 20 5 DDBDRO Cc1cnc(NC[C@H](O)C[NH+]2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000301440200 410719326 /nfs/dbraw/zinc/71/93/26/410719326.db2.gz MBDKFMFSMWARGB-ZDUSSCGKSA-N 1 0 308.382 1.803 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000330575841 410792178 /nfs/dbraw/zinc/79/21/78/410792178.db2.gz GEEHLZVIRMOIPO-CHWSQXEVSA-N 1 0 320.393 1.866 20 5 DDBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000330597690 410810740 /nfs/dbraw/zinc/81/07/40/410810740.db2.gz SJQMLWYEKVHNTN-VXGBXAGGSA-N 1 0 307.350 1.525 20 5 DDBDRO Cc1c(CO)cc([N+](=O)[O-])c(N2CC([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000302122208 410839935 /nfs/dbraw/zinc/83/99/35/410839935.db2.gz GRHMOPHLQLJOCH-UHFFFAOYSA-N 1 0 310.310 1.054 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000330660692 410856031 /nfs/dbraw/zinc/85/60/31/410856031.db2.gz URVYOQSLBYVNRT-ZDUSSCGKSA-N 1 0 320.393 1.269 20 5 DDBDRO C[C@@H]1CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000330836109 410896335 /nfs/dbraw/zinc/89/63/35/410896335.db2.gz KMIAPKLTJKLNKR-DYEKYZERSA-N 1 0 310.350 1.037 20 5 DDBDRO C[C@@H]1CC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000330836108 410897098 /nfs/dbraw/zinc/89/70/98/410897098.db2.gz KMIAPKLTJKLNKR-BZPMIXESSA-N 1 0 310.350 1.037 20 5 DDBDRO C[C@@H]1C[C@H](CO)CC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000344117206 410966314 /nfs/dbraw/zinc/96/63/14/410966314.db2.gz BLLUILYXXDOUDF-UMVBOHGHSA-N 1 0 324.377 1.427 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)n1 ZINC000331218402 411022247 /nfs/dbraw/zinc/02/22/47/411022247.db2.gz XCCZWLIQYDCFCA-LLVKDONJSA-N 1 0 323.397 1.614 20 5 DDBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@H](CO)[C@H]1CCOC1 ZINC000580724572 422950725 /nfs/dbraw/zinc/95/07/25/422950725.db2.gz GPUGBHHLLVHXOX-ZOWXZIJZSA-N 1 0 306.362 1.817 20 5 DDBDRO C[NH2+][C@@H]1CCCN(C(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000133065291 196309059 /nfs/dbraw/zinc/30/90/59/196309059.db2.gz DWINNQCZOWMTOM-GFCCVEGCSA-N 1 0 306.366 1.607 20 5 DDBDRO [NH3+]C[C@H]1CC[C@@H](NC(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000417232784 225257754 /nfs/dbraw/zinc/25/77/54/225257754.db2.gz NBCCQAFLZHBSGA-QWHCGFSZSA-N 1 0 306.366 1.564 20 5 DDBDRO Nc1ccc(C(=O)NC2CC[NH+](C3CCC3)CC2)cc1[N+](=O)[O-] ZINC000296779635 226224044 /nfs/dbraw/zinc/22/40/44/226224044.db2.gz AWSZJRUKLJPPNQ-UHFFFAOYSA-N 1 0 318.377 1.924 20 5 DDBDRO CCOC[C@H](O)C[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000571756324 304485329 /nfs/dbraw/zinc/48/53/29/304485329.db2.gz BBEQKDJHKGQZKD-GFCCVEGCSA-N 1 0 302.758 1.778 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCN(CCO)[C@@H](C)C1 ZINC000188823663 222028788 /nfs/dbraw/zinc/02/87/88/222028788.db2.gz XUBNRWRDDRFULA-LBPRGKRZSA-N 1 0 322.365 1.434 20 5 DDBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H](O)C[NH+]1CCCCC1 ZINC000360953384 418553428 /nfs/dbraw/zinc/55/34/28/418553428.db2.gz KQEHPHXOBGWRMK-GFCCVEGCSA-N 1 0 311.386 1.378 20 5 DDBDRO C[C@H]1CCOCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000374992224 418585367 /nfs/dbraw/zinc/58/53/67/418585367.db2.gz WLEHDDKDNVWDMB-JSGCOSHPSA-N 1 0 310.350 1.445 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1CN1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000368217986 418705966 /nfs/dbraw/zinc/70/59/66/418705966.db2.gz CERWSIJGVAFDTG-IAGOWNOFSA-N 1 0 319.405 1.934 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@H](Cc3ccncc3)C2)c1 ZINC000368138690 418695186 /nfs/dbraw/zinc/69/51/86/418695186.db2.gz KJLVTPWBKGNQCR-CQSZACIVSA-N 1 0 301.350 1.751 20 5 DDBDRO COc1cc(C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000382465033 418730748 /nfs/dbraw/zinc/73/07/48/418730748.db2.gz ZZMVHFISTOXOBC-ZJUUUORDSA-N 1 0 323.349 1.469 20 5 DDBDRO Cc1ccc(S(=O)(=O)N[C@@H](CC[NH3+])C(F)F)cc1[N+](=O)[O-] ZINC000383336351 418733556 /nfs/dbraw/zinc/73/35/56/418733556.db2.gz WSAHRKUCHFANPR-VIFPVBQESA-N 1 0 323.321 1.164 20 5 DDBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC000363503257 418766199 /nfs/dbraw/zinc/76/61/99/418766199.db2.gz BEDRIQKLVJNFEO-DZGCQCFKSA-N 1 0 320.393 2.211 20 5 DDBDRO C[C@@H]1[C@H](C)N(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000411430315 418904216 /nfs/dbraw/zinc/90/42/16/418904216.db2.gz OALBNPRODBTTJM-OLZOCXBDSA-N 1 0 320.393 1.948 20 5 DDBDRO O=C(CC[N@H+]1CCCC[C@@H]1CO)Nc1ccc([N+](=O)[O-])cc1 ZINC000411167300 418876063 /nfs/dbraw/zinc/87/60/63/418876063.db2.gz NXBMBFKVQNSPNS-CQSZACIVSA-N 1 0 307.350 1.770 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@H](O)C[C@@H]1C ZINC000411413825 418901480 /nfs/dbraw/zinc/90/14/80/418901480.db2.gz AONLDTWRLPHYJY-CMPLNLGQSA-N 1 0 323.349 1.387 20 5 DDBDRO [NH3+][C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C[C@H]1c1ccccc1F ZINC000424034483 228221747 /nfs/dbraw/zinc/22/17/47/228221747.db2.gz CEAQSDRGUHFMKT-WCQYABFASA-N 1 0 318.308 1.629 20 5 DDBDRO COC[C@@H]1C[C@H](O)C[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411914999 419484396 /nfs/dbraw/zinc/48/43/96/419484396.db2.gz VLCKHGDNBKUVJI-KBPBESRZSA-N 1 0 323.349 1.005 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000427597694 419691663 /nfs/dbraw/zinc/69/16/63/419691663.db2.gz XIMOIRKXSVPUJC-CYBMUJFWSA-N 1 0 319.361 1.912 20 5 DDBDRO C[C@H]([NH3+])c1ccc(CNC(=O)Cn2ccc([N+](=O)[O-])n2)cc1 ZINC000429517182 228824734 /nfs/dbraw/zinc/82/47/34/228824734.db2.gz GEBLMLTTZWHHNT-JTQLQIEISA-N 1 0 303.322 1.127 20 5 DDBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000418337432 419721166 /nfs/dbraw/zinc/72/11/66/419721166.db2.gz JOSVDPQBLDRLQD-ZDUSSCGKSA-N 1 0 320.393 1.778 20 5 DDBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000414884731 419858166 /nfs/dbraw/zinc/85/81/66/419858166.db2.gz FZHOVYGFGKOITK-IINYFYTJSA-N 1 0 306.366 1.639 20 5 DDBDRO COc1cc(C(=O)N2CCC[C@@H](C[NH3+])C2)cc([N+](=O)[O-])c1OC ZINC000428530779 419887242 /nfs/dbraw/zinc/88/72/42/419887242.db2.gz XPYWKGLRHYIAHZ-JTQLQIEISA-N 1 0 323.349 1.423 20 5 DDBDRO Cn1cc(CNC[C@H]([NH3+])C2CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000414894880 419864494 /nfs/dbraw/zinc/86/44/94/419864494.db2.gz UVWHGEHOAKCJBN-HNNXBMFYSA-N 1 0 315.377 1.822 20 5 DDBDRO COCC1(C)C[NH+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000432750779 229125046 /nfs/dbraw/zinc/12/50/46/229125046.db2.gz NUXZFNUPFCWSOY-GFCCVEGCSA-N 1 0 310.350 1.303 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H]1CCOC[C@@H]1C ZINC000433154687 229162187 /nfs/dbraw/zinc/16/21/87/229162187.db2.gz UJHCTEAZHQYVQN-NWDGAFQWSA-N 1 0 307.350 1.856 20 5 DDBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000435229591 229363454 /nfs/dbraw/zinc/36/34/54/229363454.db2.gz JQDOYQDGCRRVCA-CYBMUJFWSA-N 1 0 319.361 1.717 20 5 DDBDRO C[C@H]1C[C@H]1[N@@H+]1CCN(Cc2c([N+](=O)[O-])ncn2C)C[C@@H](C)C1 ZINC000429005575 419961357 /nfs/dbraw/zinc/96/13/57/419961357.db2.gz MNMRJNRJCPYETF-FRRDWIJNSA-N 1 0 307.398 1.490 20 5 DDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000418785830 419982311 /nfs/dbraw/zinc/98/23/11/419982311.db2.gz IGZNEJVZCNAXFW-WCQYABFASA-N 1 0 306.366 1.864 20 5 DDBDRO C[NH2+][C@@H]1CCCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000415374169 420040029 /nfs/dbraw/zinc/04/00/29/420040029.db2.gz JXLHPSWVFNYGIQ-LLVKDONJSA-N 1 0 320.349 1.052 20 5 DDBDRO Cc1c(CC(=O)NC[C@]2(C)CCC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000423516886 420069988 /nfs/dbraw/zinc/06/99/88/420069988.db2.gz HEVNLRXOKXVTIK-MRXNPFEDSA-N 1 0 305.378 1.952 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000415648341 420135355 /nfs/dbraw/zinc/13/53/55/420135355.db2.gz BNXNKFNYCRCIFK-MFKMUULPSA-N 1 0 320.349 1.819 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430565166 420140494 /nfs/dbraw/zinc/14/04/94/420140494.db2.gz OMNPPKAIXPRBSU-QWHCGFSZSA-N 1 0 320.393 1.901 20 5 DDBDRO C[C@@H](Nc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@H]1CCC[NH2+]C1 ZINC000420168585 420140653 /nfs/dbraw/zinc/14/06/53/420140653.db2.gz QJKYDFBAVYBJMG-PWSUYJOCSA-N 1 0 317.349 2.445 20 5 DDBDRO CCOc1ccc([C@@H](C)NC[C@H]2C[NH2+]CCN2C)cc1[N+](=O)[O-] ZINC000423520762 420071438 /nfs/dbraw/zinc/07/14/38/420071438.db2.gz QFVXIMRHQWMMAU-TZMCWYRMSA-N 1 0 322.409 1.548 20 5 DDBDRO O=C(C[C@H]1C[NH2+]CCO1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000423720904 420141181 /nfs/dbraw/zinc/14/11/81/420141181.db2.gz IBPJOKSPLIPDPP-HNNXBMFYSA-N 1 0 319.361 1.464 20 5 DDBDRO C[C@H]1CCCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]1C[NH3+] ZINC000420290195 420185085 /nfs/dbraw/zinc/18/50/85/420185085.db2.gz LMSPBEDFMLCXRQ-SWLSCSKDSA-N 1 0 320.393 1.983 20 5 DDBDRO COc1ccc(NC(=O)CCN2CC[NH2+]C[C@H]2C)c([N+](=O)[O-])c1 ZINC000420306090 420193978 /nfs/dbraw/zinc/19/39/78/420193978.db2.gz ZTVBAYPXROFGKZ-LLVKDONJSA-N 1 0 322.365 1.226 20 5 DDBDRO CCC[C@@H]1C[NH2+]CCN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000420308702 420195551 /nfs/dbraw/zinc/19/55/51/420195551.db2.gz NWWKLTRLBDYFCK-OAHLLOKOSA-N 1 0 320.393 1.997 20 5 DDBDRO C[C@H]1[NH2+]CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000420308573 420197472 /nfs/dbraw/zinc/19/74/72/420197472.db2.gz KOPUZIOJRBVIPJ-NEPJUHHUSA-N 1 0 306.366 1.606 20 5 DDBDRO CN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H](C[NH3+])C1CC1 ZINC000420312958 420201085 /nfs/dbraw/zinc/20/10/85/420201085.db2.gz JHWRWCLHTCGQOY-CQSZACIVSA-N 1 0 306.366 1.593 20 5 DDBDRO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCC[C@H]1CCC[NH2+]1 ZINC000420240953 420163894 /nfs/dbraw/zinc/16/38/94/420163894.db2.gz SEXWYDBRYUGUKY-SNVBAGLBSA-N 1 0 313.379 1.552 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCCC[C@H]1C[NH3+] ZINC000430632673 420164032 /nfs/dbraw/zinc/16/40/32/420164032.db2.gz YZPRTEBDZHMWJS-ZDUSSCGKSA-N 1 0 306.366 1.655 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCCC[C@@H]1C[NH3+] ZINC000430632672 420165292 /nfs/dbraw/zinc/16/52/92/420165292.db2.gz YZPRTEBDZHMWJS-CYBMUJFWSA-N 1 0 306.366 1.655 20 5 DDBDRO Cc1cc(NC[C@H]2C[NH2+]C[C@@H]2O)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420243164 420165690 /nfs/dbraw/zinc/16/56/90/420165690.db2.gz PDOPMJFKOBUJLA-PELKAZGASA-N 1 0 319.283 1.914 20 5 DDBDRO CC1(C)CN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC[NH2+]1 ZINC000420270354 420176044 /nfs/dbraw/zinc/17/60/44/420176044.db2.gz GKTGTERMPSFSSS-UHFFFAOYSA-N 1 0 303.322 1.833 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000420346543 420225303 /nfs/dbraw/zinc/22/53/03/420225303.db2.gz YQIIHBWWFRZLOF-DOMZBBRYSA-N 1 0 318.377 1.526 20 5 DDBDRO CCc1ccccc1[C@@H]([NH3+])CNC(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000423973145 420288622 /nfs/dbraw/zinc/28/86/22/420288622.db2.gz JIXSGQJHFUGMPZ-LBPRGKRZSA-N 1 0 317.349 1.619 20 5 DDBDRO C[C@@H]1CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H](C)[NH2+]1 ZINC000430950485 420219419 /nfs/dbraw/zinc/21/94/19/420219419.db2.gz RMYUKAXMAOTBGA-TXEJJXNPSA-N 1 0 306.366 1.606 20 5 DDBDRO CCCc1n[nH]c(C(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC000424015910 420306689 /nfs/dbraw/zinc/30/66/89/420306689.db2.gz NIMYRURNZZBLPF-UWVGGRQHSA-N 1 0 309.370 1.327 20 5 DDBDRO NC(=O)c1cccc([N+](=O)[O-])c1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000420590583 420325468 /nfs/dbraw/zinc/32/54/68/420325468.db2.gz VUFNGXOBNLBSIO-GHMZBOCLSA-N 1 0 304.350 1.732 20 5 DDBDRO COC(=O)c1cnc(N(C)C[C@@H]2CCC[N@@H+]2C)c([N+](=O)[O-])c1 ZINC000420643887 420340475 /nfs/dbraw/zinc/34/04/75/420340475.db2.gz XPYUJPGSWOFAHT-NSHDSACASA-N 1 0 308.338 1.307 20 5 DDBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]C3(CO)CCOCC3)nc2c1 ZINC000444629936 230114356 /nfs/dbraw/zinc/11/43/56/230114356.db2.gz YIJRILVCMWJZQH-UHFFFAOYSA-N 1 0 306.322 1.102 20 5 DDBDRO Cc1cc(N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)ncc1[N+](=O)[O-] ZINC000302521283 230281681 /nfs/dbraw/zinc/28/16/81/230281681.db2.gz ITVOOOVPJJDDQT-GFCCVEGCSA-N 1 0 308.382 1.580 20 5 DDBDRO C[N@H+]1CC=C(CNC(=O)/C=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000492384913 420541741 /nfs/dbraw/zinc/54/17/41/420541741.db2.gz HBKMBITUWLKJSG-WAYWQWQTSA-N 1 0 301.346 1.986 20 5 DDBDRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000417764963 420471645 /nfs/dbraw/zinc/47/16/45/420471645.db2.gz NEBHJFWZUPFLMB-JSGCOSHPSA-N 1 0 320.393 1.906 20 5 DDBDRO C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])s1)[C@@H]1CCC[NH2+]C1 ZINC000440359557 420570729 /nfs/dbraw/zinc/57/07/29/420570729.db2.gz PMEFFEJJDGDBOQ-DTWKUNHWSA-N 1 0 319.408 1.323 20 5 DDBDRO Cc1ccc(C)c(S(=O)(=O)NC[C@@H]2CC[NH2+]C2)c1[N+](=O)[O-] ZINC000440834626 420611429 /nfs/dbraw/zinc/61/14/29/420611429.db2.gz AOTJEOCLUCDYMI-LLVKDONJSA-N 1 0 313.379 1.099 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CC[N@@H+](C(C)C)C1 ZINC000457132384 420625865 /nfs/dbraw/zinc/62/58/65/420625865.db2.gz USURNMVGDSNVIK-LBPRGKRZSA-N 1 0 306.366 1.853 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H]1CCC[C@]1(C)CO ZINC000492894861 420702527 /nfs/dbraw/zinc/70/25/27/420702527.db2.gz SKBKKRBTIIOARZ-GOEBONIOSA-N 1 0 321.377 1.982 20 5 DDBDRO C[C@]1(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CCC(=O)N1 ZINC000453413785 420726197 /nfs/dbraw/zinc/72/61/97/420726197.db2.gz JHDOSODKWQLCEW-LALPHHSUSA-N 1 0 321.381 1.533 20 5 DDBDRO C[C@@H](CNC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)[NH+](C)C ZINC000459041457 420788423 /nfs/dbraw/zinc/78/84/23/420788423.db2.gz NMFAUTVSKLLEDY-NSHDSACASA-N 1 0 322.365 1.318 20 5 DDBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@](O)(CO)C1 ZINC000459727657 420858074 /nfs/dbraw/zinc/85/80/74/420858074.db2.gz RADGWICRIFVNAM-LPDYGMJQSA-N 1 0 306.362 1.817 20 5 DDBDRO CC(C)[C@H]1CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000488012769 421062504 /nfs/dbraw/zinc/06/25/04/421062504.db2.gz UYKPOJNDOMZEAV-OAHLLOKOSA-N 1 0 320.393 1.466 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000449723545 421069216 /nfs/dbraw/zinc/06/92/16/421069216.db2.gz FVGCRSXKZOLEEF-SMDDNHRTSA-N 1 0 305.334 1.184 20 5 DDBDRO Cc1nc(NC[C@@H](Cc2ccccc2)[NH+](C)C)ncc1[N+](=O)[O-] ZINC000450213031 421163726 /nfs/dbraw/zinc/16/37/26/421163726.db2.gz FPEHAPXFNZTECM-CQSZACIVSA-N 1 0 315.377 2.278 20 5 DDBDRO Cc1ccc(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1F ZINC000562492746 421373841 /nfs/dbraw/zinc/37/38/41/421373841.db2.gz BNAUVCBWTKVQDB-CYBMUJFWSA-N 1 0 308.313 1.390 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@H]([NH3+])C[C@H]1C ZINC000563349100 421488190 /nfs/dbraw/zinc/48/81/90/421488190.db2.gz PKCZHGFBLSYCGM-NEPJUHHUSA-N 1 0 306.366 1.653 20 5 DDBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)NCc3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000516261608 421537373 /nfs/dbraw/zinc/53/73/73/421537373.db2.gz UDYDMTRQZTUEAK-VHDGCEQUSA-N 1 0 318.377 1.864 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H](C)S(C)(=O)=O ZINC000540141245 421760880 /nfs/dbraw/zinc/76/08/80/421760880.db2.gz GUBRMGHAGBJIOU-WDEREUQCSA-N 1 0 300.380 1.987 20 5 DDBDRO CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000574782371 422180709 /nfs/dbraw/zinc/18/07/09/422180709.db2.gz DVJOWUYVBRGFAB-LBPRGKRZSA-N 1 0 323.397 1.758 20 5 DDBDRO [NH3+]C1(CC(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)CCC1 ZINC000592070590 422329711 /nfs/dbraw/zinc/32/97/11/422329711.db2.gz RNFFWFYCSOOAAT-UHFFFAOYSA-N 1 0 315.333 2.195 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCNc1cnccn1 ZINC000595013220 422354023 /nfs/dbraw/zinc/35/40/23/422354023.db2.gz GCMUCYQTZHDONH-LLVKDONJSA-N 1 0 317.349 2.156 20 5 DDBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2ccnc(N)c2[N+](=O)[O-])C1 ZINC000576885955 422380056 /nfs/dbraw/zinc/38/00/56/422380056.db2.gz MQGQAFACXBGIQV-LLVKDONJSA-N 1 0 321.381 1.376 20 5 DDBDRO CC[C@@]1(O)CCC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000602983367 422441007 /nfs/dbraw/zinc/44/10/07/422441007.db2.gz IWZIWTXEPXHMNH-CZUORRHYSA-N 1 0 324.377 1.571 20 5 DDBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC(=O)NC1CC1 ZINC000459551015 533685645 /nfs/dbraw/zinc/68/56/45/533685645.db2.gz LJZDNUIDKWASDC-SNVBAGLBSA-N 1 0 320.349 1.180 20 5 DDBDRO C[N@H+](CCCCNC(=O)c1ccnc(N)c1[N+](=O)[O-])C1CC1 ZINC000577745450 422418933 /nfs/dbraw/zinc/41/89/33/422418933.db2.gz KCFGGBBTZAJTIS-UHFFFAOYSA-N 1 0 307.354 1.176 20 5 DDBDRO CCOC(C)(C)C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000578437185 422568324 /nfs/dbraw/zinc/56/83/24/422568324.db2.gz VCUGBUIFGAORSQ-LBPRGKRZSA-N 1 0 312.366 1.739 20 5 DDBDRO CC[C@H]1C[N@H+](C)CCN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000578589561 422602486 /nfs/dbraw/zinc/60/24/86/422602486.db2.gz ZVUCRLSZDBDBCQ-ZFWWWQNUSA-N 1 0 323.393 1.361 20 5 DDBDRO CC[N@@H+]1CCC[C@H](CNc2nc(C(=O)OC)ccc2[N+](=O)[O-])C1 ZINC000341934864 271251733 /nfs/dbraw/zinc/25/17/33/271251733.db2.gz YCWAQMNBLZTNBF-LLVKDONJSA-N 1 0 322.365 1.920 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@@]23CCOC3)c1 ZINC000341978025 271265380 /nfs/dbraw/zinc/26/53/80/271265380.db2.gz XFMBTZBXLBURAG-HOCLYGCPSA-N 1 0 322.361 1.589 20 5 DDBDRO NC(=O)c1ccc(C[N@@H+]2CCCCC[C@H]2CCO)c([N+](=O)[O-])c1 ZINC000342074446 271291018 /nfs/dbraw/zinc/29/10/18/271291018.db2.gz XEZPBTHPHPACLH-AWEZNQCLSA-N 1 0 321.377 1.821 20 5 DDBDRO CC[N@H+]1C[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])cnc2C)[C@@H](C)C1 ZINC000344426752 272023094 /nfs/dbraw/zinc/02/30/94/272023094.db2.gz PUJQHSUKLGSAPL-PHIMTYICSA-N 1 0 306.366 1.853 20 5 DDBDRO CN1CCC([NH+]2CCC(Nc3ccc([N+](=O)[O-])nc3)CC2)CC1 ZINC000344432193 272024846 /nfs/dbraw/zinc/02/48/46/272024846.db2.gz GLDGYSCOEFGBMC-UHFFFAOYSA-N 1 0 319.409 1.960 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCc1ncn(C)n1 ZINC000344899605 272137769 /nfs/dbraw/zinc/13/77/69/272137769.db2.gz GCAOLBQESKCRCD-UHFFFAOYSA-N 1 0 305.338 1.454 20 5 DDBDRO COC(=O)c1cc(NC(=O)N[C@@H](C)[C@H](C)[NH3+])c(C)c([N+](=O)[O-])c1 ZINC000415606957 274000853 /nfs/dbraw/zinc/00/08/53/274000853.db2.gz ZGHWPLVJYDWUMN-IUCAKERBSA-N 1 0 324.337 1.547 20 5 DDBDRO Cc1c(C(=O)N2CC[NH2+]CC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000237758101 274659040 /nfs/dbraw/zinc/65/90/40/274659040.db2.gz RIQNJNBUBFUNIH-UHFFFAOYSA-N 1 0 308.294 1.165 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@H](C)CC[NH3+] ZINC000447251512 274723040 /nfs/dbraw/zinc/72/30/40/274723040.db2.gz UVQAZVOADQIYNZ-SNVBAGLBSA-N 1 0 301.368 1.227 20 5 DDBDRO CC(=O)N1CC[C@H]([NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000331593382 275469484 /nfs/dbraw/zinc/46/94/84/275469484.db2.gz KUVSOBHFGWOELM-MELADBBJSA-N 1 0 321.381 1.485 20 5 DDBDRO C[N@@H+]1CCC[C@]2(CCN(c3ccc(C(N)=O)cc3[N+](=O)[O-])C2)C1 ZINC000292664754 277087261 /nfs/dbraw/zinc/08/72/61/277087261.db2.gz CSDOWAYRXXZSDI-INIZCTEOSA-N 1 0 318.377 1.616 20 5 DDBDRO C[C@@H](NC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)[C@H](C)[NH3+] ZINC000418698107 278323539 /nfs/dbraw/zinc/32/35/39/278323539.db2.gz MQMISBAISOFTPU-NWDGAFQWSA-N 1 0 321.381 1.162 20 5 DDBDRO [NH3+]CC[C@@H](NC(=O)COc1ccccc1[N+](=O)[O-])C(F)F ZINC000449607636 279629171 /nfs/dbraw/zinc/62/91/71/279629171.db2.gz BSURBDVTOJFYTR-MRVPVSSYSA-N 1 0 303.265 1.072 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)CC[NH+]1CCCC1 ZINC000089898276 281027054 /nfs/dbraw/zinc/02/70/54/281027054.db2.gz HIIJYODUODAFCW-UHFFFAOYSA-N 1 0 320.393 1.869 20 5 DDBDRO CC1(C)C[NH2+]CC[C@H]1NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000261726656 281280038 /nfs/dbraw/zinc/28/00/38/281280038.db2.gz NXMMHQMWYBWMLX-GFCCVEGCSA-N 1 0 313.379 1.261 20 5 DDBDRO CCNC(=O)CN1CCN(Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000127951987 281292311 /nfs/dbraw/zinc/29/23/11/281292311.db2.gz HWEGXACKLWBSOP-UHFFFAOYSA-N 1 0 320.393 1.157 20 5 DDBDRO COC(=O)c1cc(NC(=O)C[C@H]2CC[NH2+]C2)cc([N+](=O)[O-])c1 ZINC000128223961 281303665 /nfs/dbraw/zinc/30/36/65/281303665.db2.gz HFPQUROFLNNVTF-SECBINFHSA-N 1 0 307.306 1.320 20 5 DDBDRO [NH3+]C[C@H]1CCC[C@@H]1NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000130951551 281399922 /nfs/dbraw/zinc/39/99/22/281399922.db2.gz HQIAUMUAXIDYDT-YPMHNXCESA-N 1 0 313.379 1.142 20 5 DDBDRO C[NH+](C)CCNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000131193280 281408210 /nfs/dbraw/zinc/40/82/10/281408210.db2.gz ALYHFCHHGXLNIK-UHFFFAOYSA-N 1 0 315.757 1.695 20 5 DDBDRO CC[C@]1(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)CCC[NH2+]1 ZINC000134384651 281538390 /nfs/dbraw/zinc/53/83/90/281538390.db2.gz YFTMFSRMLBZMMI-OAHLLOKOSA-N 1 0 306.366 1.655 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N(CC[NH3+])CCc1ccccc1 ZINC000572406139 304524375 /nfs/dbraw/zinc/52/43/75/304524375.db2.gz GRJYFBWVDQNLOP-UHFFFAOYSA-N 1 0 316.361 1.577 20 5 DDBDRO COCCO[C@H]1COCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000362530023 300087728 /nfs/dbraw/zinc/08/77/28/300087728.db2.gz UZXZRUVGODPHLU-CABCVRRESA-N 1 0 310.350 1.505 20 5 DDBDRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000362982493 300193723 /nfs/dbraw/zinc/19/37/23/300193723.db2.gz MEEQCJVGNRZGER-ZWNOBZJWSA-N 1 0 304.350 1.072 20 5 DDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000363265557 300241746 /nfs/dbraw/zinc/24/17/46/300241746.db2.gz FYFAKBOAEKPFSW-CABCVRRESA-N 1 0 319.361 1.117 20 5 DDBDRO O=C(c1ccc([N+](=O)[O-])cn1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000363871448 300318921 /nfs/dbraw/zinc/31/89/21/300318921.db2.gz CYYQOVVZQPACJL-CYBMUJFWSA-N 1 0 304.350 1.690 20 5 DDBDRO COc1cc(C(=O)N2CC[C@]3(CCC[C@@H]3[NH3+])C2)ccc1[N+](=O)[O-] ZINC000364196946 300356145 /nfs/dbraw/zinc/35/61/45/300356145.db2.gz CAFNZPCXDUMDLT-GOEBONIOSA-N 1 0 319.361 1.947 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[N@@H+]([C@@H](C)CO)CC1 ZINC000364209511 300357126 /nfs/dbraw/zinc/35/71/26/300357126.db2.gz BRJBKHCNFVXUJK-ZDUSSCGKSA-N 1 0 321.377 1.432 20 5 DDBDRO Nc1c(C(=O)NCC2([NH3+])CCCCCC2)cccc1[N+](=O)[O-] ZINC000364274674 300367051 /nfs/dbraw/zinc/36/70/51/300367051.db2.gz WAMUJBDMTBKELH-UHFFFAOYSA-N 1 0 306.366 1.959 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@H]2CCCC[C@@H]2[C@@H]2CCOC2)c1 ZINC000365069349 300478291 /nfs/dbraw/zinc/47/82/91/300478291.db2.gz KLUUFJQYPBCYJZ-BPLDGKMQSA-N 1 0 308.382 1.976 20 5 DDBDRO CC[C@H](C)NC(=O)[C@H](C)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365513288 300526354 /nfs/dbraw/zinc/52/63/54/300526354.db2.gz PAEQSLVSENGZSY-RYUDHWBXSA-N 1 0 323.397 1.731 20 5 DDBDRO O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000368104216 300954437 /nfs/dbraw/zinc/95/44/37/300954437.db2.gz CPHBPCHFANCPHN-MWLCHTKSSA-N 1 0 320.305 1.185 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@H]2c2nccs2)c1 ZINC000368404319 301019967 /nfs/dbraw/zinc/01/99/67/301019967.db2.gz LIHNCFGZVNSCLG-RYUDHWBXSA-N 1 0 323.378 1.446 20 5 DDBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)COc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000368587931 301058949 /nfs/dbraw/zinc/05/89/49/301058949.db2.gz BUQQVMYWXKYPHJ-JSGCOSHPSA-N 1 0 319.361 1.526 20 5 DDBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N[C@H]1CC12CC[NH2+]CC2 ZINC000368644925 301067474 /nfs/dbraw/zinc/06/74/74/301067474.db2.gz FFFPIEIVOGYYTI-ZRFDWSJLSA-N 1 0 301.346 1.866 20 5 DDBDRO CCc1n[nH]c(C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000369143535 301136652 /nfs/dbraw/zinc/13/66/52/301136652.db2.gz KWOZVDDEPSBEQC-UWVGGRQHSA-N 1 0 307.354 1.237 20 5 DDBDRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)[C@H]2C[C@@H]2[N+](=O)[O-])C1 ZINC000369709207 301215205 /nfs/dbraw/zinc/21/52/05/301215205.db2.gz CHJBGEOSVBZVHU-ILXRZTDVSA-N 1 0 303.362 1.385 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1CN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000370047693 301264996 /nfs/dbraw/zinc/26/49/96/301264996.db2.gz ZNLZBOWWGGJMEL-CYBMUJFWSA-N 1 0 307.398 1.636 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000374429308 301804366 /nfs/dbraw/zinc/80/43/66/301804366.db2.gz OJWUWUXATNSSMO-HNNXBMFYSA-N 1 0 318.377 1.902 20 5 DDBDRO O=[N+]([O-])c1cnn(CCNc2cc[nH+]cc2-c2cccnc2)c1 ZINC000376394338 302071810 /nfs/dbraw/zinc/07/18/10/302071810.db2.gz GLYVXSHIRBWJGD-UHFFFAOYSA-N 1 0 310.317 1.782 20 5 DDBDRO CCc1nn(C)c(N2CC[C@H](C[NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000377178519 302152245 /nfs/dbraw/zinc/15/22/45/302152245.db2.gz IZRSGHLNVLJHLL-GFCCVEGCSA-N 1 0 307.398 1.813 20 5 DDBDRO Cc1ccc(S(=O)(=O)N[C@H]2CC[NH2+][C@H](C)C2)c([N+](=O)[O-])c1 ZINC000447243749 302396005 /nfs/dbraw/zinc/39/60/05/302396005.db2.gz JMRQFEVMJCEYJT-MNOVXSKESA-N 1 0 313.379 1.322 20 5 DDBDRO CCC[N@@H+]1CCCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000363646008 307032475 /nfs/dbraw/zinc/03/24/75/307032475.db2.gz SWLWDCXQIQJUSK-UHFFFAOYSA-N 1 0 306.366 1.735 20 5 DDBDRO COc1ccc(CC(=O)N2CCCC[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000518361268 302824785 /nfs/dbraw/zinc/82/47/85/302824785.db2.gz UHZUNXQLUIGINM-GFCCVEGCSA-N 1 0 307.350 1.486 20 5 DDBDRO CC(C)[N@H+](C)CC1CCN(Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000530869160 303217884 /nfs/dbraw/zinc/21/78/84/303217884.db2.gz OCYFRNAJURALEO-UHFFFAOYSA-N 1 0 309.414 1.881 20 5 DDBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000531804457 303257756 /nfs/dbraw/zinc/25/77/56/303257756.db2.gz ZPGCKLGGYGKRCB-IAQYHMDHSA-N 1 0 318.377 1.877 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[NH+]2CCC(Nc3ccccn3)CC2)c1 ZINC000534129950 303326728 /nfs/dbraw/zinc/32/67/28/303326728.db2.gz ZXIASBIRAGVDOL-UHFFFAOYSA-N 1 0 316.365 1.763 20 5 DDBDRO CC[NH+](CC)CC[C@H](CO)NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000538821657 303390538 /nfs/dbraw/zinc/39/05/38/303390538.db2.gz UKHWMWWHHZLMFP-CQSZACIVSA-N 1 0 323.393 1.346 20 5 DDBDRO C[NH+](C)CC1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000357630795 306900695 /nfs/dbraw/zinc/90/06/95/306900695.db2.gz RUIOQQBKIWXLEO-UHFFFAOYSA-N 1 0 321.377 1.774 20 5 DDBDRO CC[NH+](CC)[C@@H](CNC(=O)c1c[nH]nc1[N+](=O)[O-])c1ccco1 ZINC000548413679 303588198 /nfs/dbraw/zinc/58/81/98/303588198.db2.gz HQWZNAIRMJLYLY-NSHDSACASA-N 1 0 321.337 1.724 20 5 DDBDRO O=C(c1c[nH]nc1[N+](=O)[O-])N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000548942877 303599640 /nfs/dbraw/zinc/59/96/40/303599640.db2.gz DXUAYIGXFUOKMY-NSHDSACASA-N 1 0 307.354 1.408 20 5 DDBDRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)C1 ZINC000562820783 303897794 /nfs/dbraw/zinc/89/77/94/303897794.db2.gz JFCSXEVLXQGEJP-DGCLKSJQSA-N 1 0 318.377 1.790 20 5 DDBDRO [NH3+]C[C@H]1CC[C@@H](NC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)C1 ZINC000562820784 303897796 /nfs/dbraw/zinc/89/77/96/303897796.db2.gz JFCSXEVLXQGEJP-WCQYABFASA-N 1 0 318.377 1.790 20 5 DDBDRO O=[N+]([O-])c1cccc(OCC[NH2+][C@@H](CO)C2CCOCC2)c1 ZINC000359873622 306965676 /nfs/dbraw/zinc/96/56/76/306965676.db2.gz KLZHGHWAZNSWPF-HNNXBMFYSA-N 1 0 310.350 1.351 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000361854987 307009100 /nfs/dbraw/zinc/00/91/00/307009100.db2.gz MWMIWJBCSQSZPP-OAHLLOKOSA-N 1 0 322.365 1.400 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@H](C)[C@@H](CO)C1 ZINC000362080613 307013126 /nfs/dbraw/zinc/01/31/26/307013126.db2.gz YGRBIKKXWWFXOJ-QWHCGFSZSA-N 1 0 321.377 1.792 20 5 DDBDRO CN(C(=O)C[NH2+][C@@H]1CCO[C@H]1C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000365192491 307061541 /nfs/dbraw/zinc/06/15/41/307061541.db2.gz QDGGGWRJKDTQFJ-ZBFHGGJFSA-N 1 0 319.361 1.715 20 5 DDBDRO O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000365275299 307063301 /nfs/dbraw/zinc/06/33/01/307063301.db2.gz OKKNGTSYIRISJT-MWLCHTKSSA-N 1 0 319.317 1.148 20 5 DDBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1cccc([N+](=O)[O-])c1N ZINC000376448420 307244240 /nfs/dbraw/zinc/24/42/40/307244240.db2.gz MUSKBWKDLBWMHO-AAEUAGOBSA-N 1 0 318.377 1.876 20 5 DDBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000377338466 307268048 /nfs/dbraw/zinc/26/80/48/307268048.db2.gz YCTJHUXKIQDTBD-PXHZSSHCSA-N 1 0 301.346 1.676 20 5 DDBDRO O=C(/C=C/c1ccccc1[N+](=O)[O-])NC[C@H]1C[NH2+]CCCO1 ZINC000390113441 307293418 /nfs/dbraw/zinc/29/34/18/307293418.db2.gz CNBDTCCHQAEMEO-KTRBRXNASA-N 1 0 305.334 1.103 20 5 DDBDRO Cc1ccc(NC(=O)C(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000415571467 307299069 /nfs/dbraw/zinc/29/90/69/307299069.db2.gz MPKMUFQQKLEHIA-WDEREUQCSA-N 1 0 320.349 1.037 20 5 DDBDRO COc1cc(C(=O)NC2(C)CC[NH2+]CC2)cc([N+](=O)[O-])c1OC ZINC000434683891 307304255 /nfs/dbraw/zinc/30/42/55/307304255.db2.gz GGIIUFUIEFWPCC-UHFFFAOYSA-N 1 0 323.349 1.484 20 5 DDBDRO Cc1cccc(CCC[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)n1 ZINC000574074247 308260734 /nfs/dbraw/zinc/26/07/34/308260734.db2.gz YPIAONZWXKVFAI-HNNXBMFYSA-N 1 0 319.365 1.078 20 5 DDBDRO CCc1ccc(S(=O)(=O)N[C@H](C)CCC[NH3+])cc1[N+](=O)[O-] ZINC000576345925 308308044 /nfs/dbraw/zinc/30/80/44/308308044.db2.gz VTKWVVQKATZMNL-SNVBAGLBSA-N 1 0 315.395 1.563 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@H](C)[C@@H](C)[NH3+])c1C ZINC000381500268 325741703 /nfs/dbraw/zinc/74/17/03/325741703.db2.gz SGZOHLHKUZULPN-NXEZZACHSA-N 1 0 301.368 1.226 20 5 DDBDRO COc1cc(C[N@H+](C)[C@H]2CCC(=O)N(C)C2)ccc1[N+](=O)[O-] ZINC000582310095 326010375 /nfs/dbraw/zinc/01/03/75/326010375.db2.gz YVIDHKRLYZSGTD-LBPRGKRZSA-N 1 0 307.350 1.656 20 5 DDBDRO CCc1ccc(S(=O)(=O)NCC[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000583440215 332410556 /nfs/dbraw/zinc/41/05/56/332410556.db2.gz RZVLNJJMPSNGEN-VIFPVBQESA-N 1 0 301.368 1.173 20 5 DDBDRO C[C@@H]1CC[C@H](C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)O1 ZINC000583626293 336002652 /nfs/dbraw/zinc/00/26/52/336002652.db2.gz LIUFUWWKIIQNMA-UXIGCNINSA-N 1 0 310.350 1.492 20 5 DDBDRO [NH3+]C[C@@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000583692688 337009895 /nfs/dbraw/zinc/00/98/95/337009895.db2.gz VNZAPABESLBJJZ-CQSZACIVSA-N 1 0 307.350 1.104 20 5 DDBDRO CC[NH2+]CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000036299416 337352876 /nfs/dbraw/zinc/35/28/76/337352876.db2.gz SSDNCRVJUQMKKP-UHFFFAOYSA-N 1 0 321.786 1.526 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]Cc2ccccc2Cl)c1 ZINC000037876719 337368510 /nfs/dbraw/zinc/36/85/10/337368510.db2.gz WGLFVCSUQACOPA-LBPRGKRZSA-N 1 0 310.741 1.595 20 5 DDBDRO [NH3+]CC[C@H](NC(=O)Cc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000307806527 484377043 /nfs/dbraw/zinc/37/70/43/484377043.db2.gz CZTNZPKUAWPNAT-JTQLQIEISA-N 1 0 305.256 1.533 20 5 DDBDRO COC(=O)c1cc(NC(=O)[C@]23C[C@H]2CC[NH2+]3)cc([N+](=O)[O-])c1 ZINC000423001369 533885455 /nfs/dbraw/zinc/88/54/55/533885455.db2.gz IAUPDSSUJJZYHB-OTYXRUKQSA-N 1 0 305.290 1.072 20 5 DDBDRO C[C@@H]1OCC[C@@]1(C)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000494278137 534188591 /nfs/dbraw/zinc/18/85/91/534188591.db2.gz XICHJSFOEDTGIL-NJZAAPMLSA-N 1 0 310.350 1.492 20 5 DDBDRO C[C@@H]1OCC[C@]1(C)[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000494225951 534205492 /nfs/dbraw/zinc/20/54/92/534205492.db2.gz DPFQKHRPSNQNDB-NHYWBVRUSA-N 1 0 307.350 1.715 20 5 DDBDRO C[C@@H]1CN(C(=O)COc2ccc([N+](=O)[O-])cc2)C[C@@]1(C)C[NH3+] ZINC000423980691 534305937 /nfs/dbraw/zinc/30/59/37/534305937.db2.gz FILBMSBQUFHFJS-IAQYHMDHSA-N 1 0 307.350 1.417 20 5 DDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000295916211 534703690 /nfs/dbraw/zinc/70/36/90/534703690.db2.gz CQVFZMVNUGKNOT-CQSZACIVSA-N 1 0 321.377 1.100 20 5 DDBDRO CC(C)(O)[C@@H]1CCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000305427194 527360203 /nfs/dbraw/zinc/36/02/03/527360203.db2.gz CAMRGBVYKMBFNW-ZDUSSCGKSA-N 1 0 307.350 1.429 20 5 DDBDRO CC[NH+]1C[C@@H](C)N(CCn2cc([N+](=O)[O-])ccc2=O)[C@H](C)C1 ZINC000459478308 527931530 /nfs/dbraw/zinc/93/15/30/527931530.db2.gz MZXGJZARRJVXGU-CHWSQXEVSA-N 1 0 308.382 1.171 20 5 DDBDRO CC(C)C[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1cnn(C)c1 ZINC000459594713 527944201 /nfs/dbraw/zinc/94/42/01/527944201.db2.gz LHYVNOKYUIEYNI-UHFFFAOYSA-N 1 0 306.370 1.683 20 5 DDBDRO CCOC(=O)[C@H]1NCC[C@@H]1[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000423016979 528089450 /nfs/dbraw/zinc/08/94/50/528089450.db2.gz VFECZVZDHGWIMH-KBPBESRZSA-N 1 0 307.350 1.021 20 5 DDBDRO CC1=CC[N@H+](CCNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC1 ZINC000330872747 528114508 /nfs/dbraw/zinc/11/45/08/528114508.db2.gz HGBLKDSAJPCYLL-UHFFFAOYSA-N 1 0 321.381 1.295 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000423673957 528691969 /nfs/dbraw/zinc/69/19/69/528691969.db2.gz ANTHDHIEOIUZMN-RYUDHWBXSA-N 1 0 319.361 1.818 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000422870287 528693314 /nfs/dbraw/zinc/69/33/14/528693314.db2.gz XOMPBTWXVLVMOJ-MNOVXSKESA-N 1 0 307.350 1.851 20 5 DDBDRO C[NH+]1CCC(CNc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000736848979 598246844 /nfs/dbraw/zinc/24/68/44/598246844.db2.gz QEKXDNJWZFVUTH-UHFFFAOYSA-N 1 0 317.353 1.529 20 5 DDBDRO [NH3+][C@@H]1CCCC[C@H]1NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000123243335 696729906 /nfs/dbraw/zinc/72/99/06/696729906.db2.gz LWMRJRFSOBKEMZ-NXEZZACHSA-N 1 0 317.342 1.282 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC1CCC([NH3+])CC1 ZINC000051693398 696246222 /nfs/dbraw/zinc/24/62/22/696246222.db2.gz SMBVDNMSFUMETN-UHFFFAOYSA-N 1 0 313.379 1.451 20 5 DDBDRO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)NC[C@H]1CCCC[NH2+]1 ZINC000123408120 696731542 /nfs/dbraw/zinc/73/15/42/696731542.db2.gz QJZWOQBMVWVFFF-SECBINFHSA-N 1 0 317.342 1.154 20 5 DDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CCC[N@H+](CCC1CC1)C2 ZINC000981763040 696906855 /nfs/dbraw/zinc/90/68/55/696906855.db2.gz CEDYGGOQOUUXOG-ZIAGYGMSSA-N 1 0 307.394 1.376 20 5 DDBDRO C[N@H+](Cc1cccnc1)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000985430640 697510175 /nfs/dbraw/zinc/51/01/75/697510175.db2.gz GXMYVEJWURVUEQ-HUUCEWRRSA-N 1 0 318.377 1.170 20 5 DDBDRO C[C@@H]1CCC[N@@H+]1CCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000773199222 697727309 /nfs/dbraw/zinc/72/73/09/697727309.db2.gz QCFBCOJYYVXKSC-SNVBAGLBSA-N 1 0 322.321 1.717 20 5 DDBDRO COc1cc(C[NH+]2CCC3(CC2)OCCO3)ccc1[N+](=O)[O-] ZINC000778938164 698383778 /nfs/dbraw/zinc/38/37/78/698383778.db2.gz CVRBDAMZECLFKB-UHFFFAOYSA-N 1 0 308.334 1.942 20 5 DDBDRO COc1cc([N+](=O)[O-])c(C(=O)NCC2C[NH2+]C2)cc1SC ZINC000262054637 698452876 /nfs/dbraw/zinc/45/28/76/698452876.db2.gz XAFVORYPSXFDCM-UHFFFAOYSA-N 1 0 311.363 1.275 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]C1CCN(C(=O)CC2CC2)CC1 ZINC000989847868 698793731 /nfs/dbraw/zinc/79/37/31/698793731.db2.gz HUDNPJFPOVDDJW-UHFFFAOYSA-N 1 0 321.381 1.209 20 5 DDBDRO C[C@H]([NH2+][C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788665594 699332436 /nfs/dbraw/zinc/33/24/36/699332436.db2.gz PBVIHWKOZYBSKX-IQOUGMIPSA-N 1 0 318.377 1.837 20 5 DDBDRO COCC[N@H+](C)CCNC(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000726908303 699388076 /nfs/dbraw/zinc/38/80/76/699388076.db2.gz XGBDWDZFSLABIB-UHFFFAOYSA-N 1 0 312.395 1.459 20 5 DDBDRO CC[C@@H](CO)[NH2+][C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000737387123 699739277 /nfs/dbraw/zinc/73/92/77/699739277.db2.gz KYICRECKFYREMA-ZJUUUORDSA-N 1 0 311.338 1.291 20 5 DDBDRO Cc1cccc2c1CC[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC000743846584 699928849 /nfs/dbraw/zinc/92/88/49/699928849.db2.gz OCBGFFJQNBBRGW-OAHLLOKOSA-N 1 0 316.361 1.519 20 5 DDBDRO C/C(=C/C(=O)NC[C@@](C)(O)C[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000752650847 700377622 /nfs/dbraw/zinc/37/76/22/700377622.db2.gz IERZXSKVLFUSEP-HMWXGYMHSA-N 1 0 321.377 1.427 20 5 DDBDRO COC(=O)C[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000754541051 700510188 /nfs/dbraw/zinc/51/01/88/700510188.db2.gz URKXKGHBUXSCMI-KBPBESRZSA-N 1 0 308.334 1.560 20 5 DDBDRO COC(C)(C)CN(C)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000758406339 700703963 /nfs/dbraw/zinc/70/39/63/700703963.db2.gz XOBAUPYENSXORS-UHFFFAOYSA-N 1 0 321.333 1.505 20 5 DDBDRO C[NH+]1CCC(CNC(=S)NNc2ccccc2[N+](=O)[O-])CC1 ZINC000760465143 700809144 /nfs/dbraw/zinc/80/91/44/700809144.db2.gz DWTVTGACSKTSSV-UHFFFAOYSA-N 1 0 323.422 1.728 20 5 DDBDRO O=[N+]([O-])c1ccc(CNC[C@H](O)C[NH+]2CCCC2)cc1Cl ZINC000761520543 700862395 /nfs/dbraw/zinc/86/23/95/700862395.db2.gz BDIYGFQIPFLFDO-LBPRGKRZSA-N 1 0 313.785 1.795 20 5 DDBDRO O=C(C[NH2+][C@@H](CCO)C1CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000771801498 701331325 /nfs/dbraw/zinc/33/13/25/701331325.db2.gz SDBHTNJGUKQAIQ-AWEZNQCLSA-N 1 0 319.361 1.235 20 5 DDBDRO C[C@@H](C[NH+](C)C)NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000805426999 701381310 /nfs/dbraw/zinc/38/13/10/701381310.db2.gz KODVWCNOZAMEPA-JTQLQIEISA-N 1 0 305.338 1.011 20 5 DDBDRO CN(C)CC[N@H+](C)CCCNc1nc2ccccn2c1[N+](=O)[O-] ZINC000808131719 701499945 /nfs/dbraw/zinc/49/99/45/701499945.db2.gz SEIVTFWRHXMDTK-UHFFFAOYSA-N 1 0 320.397 1.538 20 5 DDBDRO Cc1cncc([N+](=O)[O-])c1NC(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC000879215057 706616559 /nfs/dbraw/zinc/61/65/59/706616559.db2.gz ZEIKAZWNIODEKO-UHFFFAOYSA-N 1 0 321.381 1.668 20 5 DDBDRO COc1cccc(C(=O)N[C@@H](C)C2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC000868014370 701892333 /nfs/dbraw/zinc/89/23/33/701892333.db2.gz LKQWOMHYUINYIS-JTQLQIEISA-N 1 0 307.350 1.721 20 5 DDBDRO CC[C@@H]1C[N@H+](C)CCN1C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000868584027 702211517 /nfs/dbraw/zinc/21/15/17/702211517.db2.gz BCDZIUNNFORHGJ-GFCCVEGCSA-N 1 0 309.341 1.829 20 5 DDBDRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000816954083 702237690 /nfs/dbraw/zinc/23/76/90/702237690.db2.gz STGALXSLNNAYNT-BPFGOOJPSA-N 1 0 301.346 1.771 20 5 DDBDRO Nc1ccc(C(=O)N2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000818002360 702549217 /nfs/dbraw/zinc/54/92/17/702549217.db2.gz XEBIYCRYFWVYEU-JSGCOSHPSA-N 1 0 318.377 1.781 20 5 DDBDRO CCN1C[C@@H]([NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])CC1=O ZINC000866367099 706682351 /nfs/dbraw/zinc/68/23/51/706682351.db2.gz FUMZHSYBSFDLDX-GWCFXTLKSA-N 1 0 309.341 1.875 20 5 DDBDRO CC1(C)C[NH2+]CCN1C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000818525000 702659000 /nfs/dbraw/zinc/65/90/00/702659000.db2.gz UHGQTBSCUJDDJT-UHFFFAOYSA-N 1 0 311.313 1.323 20 5 DDBDRO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(C)CC[NH3+] ZINC000842477987 702725534 /nfs/dbraw/zinc/72/55/34/702725534.db2.gz DAFRCYGCFHNXNL-QMMMGPOBSA-N 1 0 300.746 1.466 20 5 DDBDRO C[NH2+]CCN(C)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000842473890 702724988 /nfs/dbraw/zinc/72/49/88/702724988.db2.gz PVTWVOANLNCIBT-SECBINFHSA-N 1 0 314.773 1.726 20 5 DDBDRO C[NH2+]C[C@H](C)c1noc(Cn2ncc3ccc([N+](=O)[O-])cc32)n1 ZINC000842581064 702736100 /nfs/dbraw/zinc/73/61/00/702736100.db2.gz WCHVBQDTLIIKJB-VIFPVBQESA-N 1 0 316.321 1.699 20 5 DDBDRO O=[N+]([O-])c1ccc2cnn(Cc3nc([C@H]4CCC[NH2+]4)no3)c2c1 ZINC000842640575 702748163 /nfs/dbraw/zinc/74/81/63/702748163.db2.gz JUXOSEKZVWJBFT-LLVKDONJSA-N 1 0 314.305 1.800 20 5 DDBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1C[C@H]([NH3+])C1 ZINC000842798826 702775885 /nfs/dbraw/zinc/77/58/85/702775885.db2.gz BOZPIBABNRPEDI-ZKCHVHJHSA-N 1 0 319.770 1.325 20 5 DDBDRO C[NH2+]CCN(C)S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000842825454 702780450 /nfs/dbraw/zinc/78/04/50/702780450.db2.gz POBPDQMPUJWEBI-UHFFFAOYSA-N 1 0 307.759 1.088 20 5 DDBDRO C[C@@]1(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC[NH2+]C1 ZINC000843059197 702809790 /nfs/dbraw/zinc/80/97/90/702809790.db2.gz FUHVQWCSUCUDGH-MRXNPFEDSA-N 1 0 304.394 1.716 20 5 DDBDRO COc1cc(Cc2noc([C@@]3(F)CC[NH2+]C3)n2)ccc1[N+](=O)[O-] ZINC000843191107 702837873 /nfs/dbraw/zinc/83/78/73/702837873.db2.gz CSDOSWRVZJSTNW-CQSZACIVSA-N 1 0 322.296 1.735 20 5 DDBDRO C[C@@H]1CN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000843345298 702863316 /nfs/dbraw/zinc/86/33/16/702863316.db2.gz YFEARZKIOUTPSN-MRVPVSSYSA-N 1 0 315.732 1.750 20 5 DDBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(C)CCC[NH3+] ZINC000843350962 702864406 /nfs/dbraw/zinc/86/44/06/702864406.db2.gz CDJQKCNAESHERN-SECBINFHSA-N 1 0 314.773 1.856 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)NCCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000843797801 702925693 /nfs/dbraw/zinc/92/56/93/702925693.db2.gz MAUOIIRRPHEHQF-UHFFFAOYSA-N 1 0 324.337 1.883 20 5 DDBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879531857 706710835 /nfs/dbraw/zinc/71/08/35/706710835.db2.gz MFKDWKKAUYXLPE-TVYUQYBPSA-N 1 0 303.318 1.202 20 5 DDBDRO O=[N+]([O-])c1ccccc1Cc1noc([C@]23C[NH2+]C[C@H]2COC3)n1 ZINC000844907980 703083246 /nfs/dbraw/zinc/08/32/46/703083246.db2.gz XUSGXBKWHCKSMN-NHYWBVRUSA-N 1 0 316.317 1.056 20 5 DDBDRO Cc1c(Cc2noc([C@@H](N)CC[NH+](C)C)n2)cccc1[N+](=O)[O-] ZINC000844913740 703084262 /nfs/dbraw/zinc/08/42/62/703084262.db2.gz UMXMFXNNBQQZHA-LBPRGKRZSA-N 1 0 319.365 1.829 20 5 DDBDRO C[C@H]([NH2+]C[C@@]12COC(=O)N1CCOC2)c1ccc([N+](=O)[O-])cc1 ZINC000866519814 706719639 /nfs/dbraw/zinc/71/96/39/706719639.db2.gz WTBPJKOPTYDKGZ-XHDPSFHLSA-N 1 0 321.333 1.467 20 5 DDBDRO C[NH+](C)CC[C@H](N)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000846673006 703313076 /nfs/dbraw/zinc/31/30/76/703313076.db2.gz ROVKCZIYOZDHLV-LBPRGKRZSA-N 1 0 314.773 1.143 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCCC1(C[NH3+])CC1 ZINC000846692076 703318336 /nfs/dbraw/zinc/31/83/36/703318336.db2.gz OQVBUDPRUNHCAG-UHFFFAOYSA-N 1 0 306.366 1.520 20 5 DDBDRO Nc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000848353164 703542311 /nfs/dbraw/zinc/54/23/11/703542311.db2.gz YIITWRMBONOIPY-STQMWFEESA-N 1 0 319.365 1.319 20 5 DDBDRO C[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@H](C)N1CCOCC1 ZINC000819019775 704052765 /nfs/dbraw/zinc/05/27/65/704052765.db2.gz RLNSIENBBYZDPW-HEHGZKQESA-N 1 0 323.393 1.327 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCCO[C@@H]2CCOC2)c1 ZINC000819149058 704076437 /nfs/dbraw/zinc/07/64/37/704076437.db2.gz GLNJRLVAXTVMEB-CABCVRRESA-N 1 0 310.350 1.413 20 5 DDBDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819285932 704100647 /nfs/dbraw/zinc/10/06/47/704100647.db2.gz KGLKMNMYQOGJMM-VNHYZAJKSA-N 1 0 322.361 1.950 20 5 DDBDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H](O)c3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000819719807 704164237 /nfs/dbraw/zinc/16/42/37/704164237.db2.gz HPVXAXNCPQCGBM-CFVMTHIKSA-N 1 0 319.361 1.181 20 5 DDBDRO O=C(NC[C@H]1COCC[NH2+]1)Nc1cccc([N+](=O)[O-])c1Cl ZINC000859686913 704973799 /nfs/dbraw/zinc/97/37/99/704973799.db2.gz XRDQLALILDFDGA-QMMMGPOBSA-N 1 0 314.729 1.358 20 5 DDBDRO CC(=O)NC[C@@H]1CCCC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000860176993 705124012 /nfs/dbraw/zinc/12/40/12/705124012.db2.gz LFPMQRHCWIYUGN-HOTGVXAUSA-N 1 0 321.377 1.619 20 5 DDBDRO CC[NH+]1CCC(NC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000823970564 705347905 /nfs/dbraw/zinc/34/79/05/705347905.db2.gz FUEUUUIYJJVYSU-AWEZNQCLSA-N 1 0 307.350 1.229 20 5 DDBDRO Nc1ccc(NC(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000824003002 705353257 /nfs/dbraw/zinc/35/32/57/705353257.db2.gz LCFJYEHIXOROSD-VXGBXAGGSA-N 1 0 319.365 1.925 20 5 DDBDRO COc1cncc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)c1 ZINC000825903607 705743535 /nfs/dbraw/zinc/74/35/35/705743535.db2.gz MTEBXSJERNIHHG-UHFFFAOYSA-N 1 0 302.334 1.964 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000876543821 705752819 /nfs/dbraw/zinc/75/28/19/705752819.db2.gz NLLOBAIPSGNCCY-YPMHNXCESA-N 1 0 307.350 1.400 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3N)CC[C@@H]21 ZINC000827278212 705967108 /nfs/dbraw/zinc/96/71/08/705967108.db2.gz VDUYPHRLGNACGD-YGRLFVJLSA-N 1 0 304.350 1.343 20 5 DDBDRO C[N@@H+]1CC[C@H]2CN(C(=O)Cc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000827373163 705988379 /nfs/dbraw/zinc/98/83/79/705988379.db2.gz GWWIERAYORVNBO-ZFWWWQNUSA-N 1 0 303.362 1.690 20 5 DDBDRO CC[C@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)[C@H](O)C(F)(F)F ZINC000877125839 705991541 /nfs/dbraw/zinc/99/15/41/705991541.db2.gz AYYPUJAEINSJMR-SLDGDWOWSA-N 1 0 322.287 1.786 20 5 DDBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1F)N1CC[NH+](C)CC1 ZINC000827579965 706030590 /nfs/dbraw/zinc/03/05/90/706030590.db2.gz NEWPRQOIXZDTBW-LLVKDONJSA-N 1 0 324.356 1.100 20 5 DDBDRO [NH3+][C@H]1C[C@H](CNC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC000877244586 706031726 /nfs/dbraw/zinc/03/17/26/706031726.db2.gz FRSXZCFUYRVPAN-AULYBMBSSA-N 1 0 303.362 1.870 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000877378584 706086584 /nfs/dbraw/zinc/08/65/84/706086584.db2.gz YZABIALFKPFHCS-MEDUHNTESA-N 1 0 318.377 1.342 20 5 DDBDRO CS[C@@H]1CC[C@H]1[NH2+][C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000877831789 706226969 /nfs/dbraw/zinc/22/69/69/706226969.db2.gz ZDCQTSXYHUQXBY-AAVRWANBSA-N 1 0 312.391 1.473 20 5 DDBDRO O=C(Cc1cccc(F)c1[N+](=O)[O-])N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000865605341 706475542 /nfs/dbraw/zinc/47/55/42/706475542.db2.gz SMVKPJRZIDHRHP-ZDUSSCGKSA-N 1 0 321.352 1.877 20 5 DDBDRO Cc1ccc(OS(=O)(=O)CC2([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000867011251 706871586 /nfs/dbraw/zinc/87/15/86/706871586.db2.gz LPKZRNXHIYIOFN-UHFFFAOYSA-N 1 0 314.363 1.706 20 5 DDBDRO CC(=O)N1C[C@@H]2C[N@@H+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC000880311372 706937525 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20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H]1CCCS1(=O)=O ZINC000873080000 707721913 /nfs/dbraw/zinc/72/19/13/707721913.db2.gz JFUVENDQXFXVBA-GFCCVEGCSA-N 1 0 312.391 1.878 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C1CN(c2ccncn2)C1 ZINC000873148922 707750169 /nfs/dbraw/zinc/75/01/69/707750169.db2.gz JPNHOLGTLMIXOL-UHFFFAOYSA-N 1 0 313.361 1.980 20 5 DDBDRO CCN1CC[C@@H]1C[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000883354140 707983003 /nfs/dbraw/zinc/98/30/03/707983003.db2.gz MMGIALUYZKCRCP-IUODEOHRSA-N 1 0 320.393 1.996 20 5 DDBDRO COCC[C@@H]([NH3+])C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000884062185 708122523 /nfs/dbraw/zinc/12/25/23/708122523.db2.gz JBBQUMGCCQIXIU-GFCCVEGCSA-N 1 0 315.757 1.570 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(C(=O)OC(C)C)CC1 ZINC000886732609 708826811 /nfs/dbraw/zinc/82/68/11/708826811.db2.gz LMCDNEOGADGXNG-UHFFFAOYSA-N 1 0 324.381 1.763 20 5 DDBDRO COC[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCCOC1 ZINC000886913862 708893293 /nfs/dbraw/zinc/89/32/93/708893293.db2.gz LLMLNQUHGKBYTE-KBMXLJTQSA-N 1 0 324.377 1.659 20 5 DDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCC([NH+]2CCC2)CC1 ZINC000912874933 713112678 /nfs/dbraw/zinc/11/26/78/713112678.db2.gz JWDBOLSASLNLEZ-UHFFFAOYSA-N 1 0 304.350 1.487 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)OCCC[NH+]1CCCCC1 ZINC000910206257 709814211 /nfs/dbraw/zinc/81/42/11/709814211.db2.gz UTZZQZDETXHZOJ-UHFFFAOYSA-N 1 0 310.354 1.519 20 5 DDBDRO C[C@@H](NC(=O)[C@H]1C[N@@H+]2CCN1CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000928249273 713157374 /nfs/dbraw/zinc/15/73/74/713157374.db2.gz RFGYLYCKLAEGKR-IUODEOHRSA-N 1 0 318.377 1.162 20 5 DDBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000891410490 710190848 /nfs/dbraw/zinc/19/08/48/710190848.db2.gz QLZNZDXPTIHTMA-CABCVRRESA-N 1 0 318.377 1.673 20 5 DDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000891606703 710246683 /nfs/dbraw/zinc/24/66/83/710246683.db2.gz IGVNEEITFWLKLY-HOCLYGCPSA-N 1 0 318.377 1.721 20 5 DDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000891608370 710247148 /nfs/dbraw/zinc/24/71/48/710247148.db2.gz VTSFWKVMRAYIHK-DZGCQCFKSA-N 1 0 318.377 1.673 20 5 DDBDRO CC[N@@H+]1CCN(Cc2ccc(O)c(OC)c2[N+](=O)[O-])C[C@H]1C ZINC000891993968 710348887 /nfs/dbraw/zinc/34/88/87/710348887.db2.gz XSTLUYDQYPHEJK-LLVKDONJSA-N 1 0 309.366 1.835 20 5 DDBDRO C[C@@H](NC(=O)N[C@@H]1CC[NH2+]C[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000892092658 710370304 /nfs/dbraw/zinc/37/03/04/710370304.db2.gz KVCZYBPVWLDZRA-NQBHXWOUSA-N 1 0 306.366 1.953 20 5 DDBDRO COc1c(O)ccc(C[N@@H+]2CC[C@]3(CCOC3)C2)c1[N+](=O)[O-] ZINC000892176465 710388533 /nfs/dbraw/zinc/38/85/33/710388533.db2.gz VHVFXTUVEAZCGO-HNNXBMFYSA-N 1 0 308.334 1.921 20 5 DDBDRO COc1cc([N+](=O)[O-])cnc1N[C@H](C)CN1CC[NH+](C)CC1 ZINC000892403103 710430859 /nfs/dbraw/zinc/43/08/59/710430859.db2.gz VAMJEGBIPBJARL-LLVKDONJSA-N 1 0 309.370 1.046 20 5 DDBDRO COc1cc([N+](=O)[O-])cnc1N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000892637746 710473973 /nfs/dbraw/zinc/47/39/73/710473973.db2.gz QFVFTWFOSWZKQJ-LBPRGKRZSA-N 1 0 306.366 1.921 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@]1(C)C[NH+]2CCC1CC2 ZINC000892774916 710496376 /nfs/dbraw/zinc/49/63/76/710496376.db2.gz VJGORPLBZLXVBW-INIZCTEOSA-N 1 0 319.361 1.818 20 5 DDBDRO COc1ccc(CC(=O)N[C@H]2CC[N@H+](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000928451246 713202564 /nfs/dbraw/zinc/20/25/64/713202564.db2.gz VIRSIIPMANSJNQ-JQWIXIFHSA-N 1 0 307.350 1.355 20 5 DDBDRO CC(C)[N@H+](C)CC(=O)NCc1cc([N+](=O)[O-])c(F)cc1F ZINC000911478900 710814676 /nfs/dbraw/zinc/81/46/76/710814676.db2.gz UYERBZPNUXOJNM-UHFFFAOYSA-N 1 0 301.293 1.829 20 5 DDBDRO CN(CCC[N@H+](C)Cc1ccco1)c1c([N+](=O)[O-])cnn1C ZINC000893846966 710855731 /nfs/dbraw/zinc/85/57/31/710855731.db2.gz CFGQONYDZNQKDZ-UHFFFAOYSA-N 1 0 307.354 1.880 20 5 DDBDRO CC(C)Oc1nc(N2CC[C@H]3C[N@H+](C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000893933533 710891388 /nfs/dbraw/zinc/89/13/88/710891388.db2.gz AQNYLQMMVITDOE-WCQYABFASA-N 1 0 306.366 1.917 20 5 DDBDRO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC000893936012 710892118 /nfs/dbraw/zinc/89/21/18/710892118.db2.gz TYNZPZWGTDGQJQ-YUMQZZPRSA-N 1 0 319.287 1.487 20 5 DDBDRO C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CCO1 ZINC000911885821 711051491 /nfs/dbraw/zinc/05/14/91/711051491.db2.gz ZBNUMGBXECTJGZ-QOWREQOWSA-N 1 0 319.361 1.273 20 5 DDBDRO COc1cc([C@H](C)[NH2+]C[C@H](O)[C@@H]2CCCO2)cc([N+](=O)[O-])c1 ZINC000903206244 711064104 /nfs/dbraw/zinc/06/41/04/711064104.db2.gz PVTFKWKFYWEOQV-LKTVYLICSA-N 1 0 310.350 1.794 20 5 DDBDRO COc1cc([C@@H](C)[NH2+]CC[C@H]2CNC(=O)C2)cc([N+](=O)[O-])c1 ZINC000903225992 711072518 /nfs/dbraw/zinc/07/25/18/711072518.db2.gz JFQANZLQYLSCJE-GHMZBOCLSA-N 1 0 307.350 1.780 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@]1(CO)COCCN1C ZINC000903282455 711087951 /nfs/dbraw/zinc/08/79/51/711087951.db2.gz UCKHLHASZQFUDU-XJKSGUPXSA-N 1 0 323.393 1.247 20 5 DDBDRO CC[C@@H](CN1CCOCC1)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000903342256 711097912 /nfs/dbraw/zinc/09/79/12/711097912.db2.gz CJLYBYCXHVJGHR-OCCSQVGLSA-N 1 0 322.409 1.938 20 5 DDBDRO Cn1cnc(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000903350361 711100766 /nfs/dbraw/zinc/10/07/66/711100766.db2.gz AZQZNXUDPDRTJD-STQMWFEESA-N 1 0 304.354 1.798 20 5 DDBDRO Cc1c(CNC(=O)N2CC[C@H]3C[N@@H+](C)C[C@H]32)cccc1[N+](=O)[O-] ZINC000894395846 711101893 /nfs/dbraw/zinc/10/18/93/711101893.db2.gz BZEASVCPSMRHBF-DZGCQCFKSA-N 1 0 318.377 1.749 20 5 DDBDRO CC[N@H+]1[C@H](C)CN(C(=O)c2cc([N+](=O)[O-])ccc2N)C[C@@H]1C ZINC000912025198 711129624 /nfs/dbraw/zinc/12/96/24/711129624.db2.gz ZMLOUQNYDZYKQA-PHIMTYICSA-N 1 0 306.366 1.732 20 5 DDBDRO O=[N+]([O-])c1ccccc1CN[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903974549 711354082 /nfs/dbraw/zinc/35/40/82/711354082.db2.gz QHZXWVSBJZWLGQ-AWEZNQCLSA-N 1 0 305.378 1.843 20 5 DDBDRO C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000913536140 713248788 /nfs/dbraw/zinc/24/87/88/713248788.db2.gz KBZUILSKACMKGR-GASCZTMLSA-N 1 0 303.362 1.832 20 5 DDBDRO O=[N+]([O-])CC[NH2+]C[C@H](CO)Cc1ccc(Br)cc1 ZINC000905366548 712017003 /nfs/dbraw/zinc/01/70/03/712017003.db2.gz PBSPRIGQKOVIQP-LLVKDONJSA-N 1 0 317.183 1.466 20 5 DDBDRO O=C1C[C@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CN1CC1CC1 ZINC000905448191 712039806 /nfs/dbraw/zinc/03/98/06/712039806.db2.gz AKRYLCRVSQPVDO-ZFWWWQNUSA-N 1 0 319.361 1.229 20 5 DDBDRO CO[C@]1(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCSC1 ZINC000905547250 712073411 /nfs/dbraw/zinc/07/34/11/712073411.db2.gz VFVQIVVTFPJFJA-KGLIPLIRSA-N 1 0 312.391 1.740 20 5 DDBDRO CCN1CCC[C@@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1=O ZINC000905551883 712074957 /nfs/dbraw/zinc/07/49/57/712074957.db2.gz OBKMEDASBIVXFO-KGLIPLIRSA-N 1 0 307.350 1.229 20 5 DDBDRO C[C@@H]1C[C@@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCS1 ZINC000905611919 712094778 /nfs/dbraw/zinc/09/47/78/712094778.db2.gz ZLXYNHZZSFCLCX-SCVCMEIPSA-N 1 0 300.384 1.026 20 5 DDBDRO COc1ccc(CNC(=O)NCC2([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000914299826 713372959 /nfs/dbraw/zinc/37/29/59/713372959.db2.gz BBEKXABDAHLLJC-UHFFFAOYSA-N 1 0 322.365 1.497 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000929807013 713694125 /nfs/dbraw/zinc/69/41/25/713694125.db2.gz DMUFDETXEVUXER-UHFFFAOYSA-N 1 0 317.349 1.800 20 5 DDBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2CCN2C2CCOCC2)cs1 ZINC000922950107 714195415 /nfs/dbraw/zinc/19/54/15/714195415.db2.gz CFACEEZLSAMTDE-ZDUSSCGKSA-N 1 0 311.407 1.999 20 5 DDBDRO Cn1nccc1[C@@H](O)C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000922974536 714201444 /nfs/dbraw/zinc/20/14/44/714201444.db2.gz XCLJKXQLKSDLIH-ZDUSSCGKSA-N 1 0 310.741 1.805 20 5 DDBDRO C[NH2+]C[C@H]1CCCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000923281113 714295650 /nfs/dbraw/zinc/29/56/50/714295650.db2.gz DTGMELIDBOCADU-UKRRQHHQSA-N 1 0 323.393 1.266 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@H](C3CCOCC3)C2)n1 ZINC000933080066 714513301 /nfs/dbraw/zinc/51/33/01/714513301.db2.gz TVUDACMCZPHONK-AWEZNQCLSA-N 1 0 308.382 1.930 20 5 DDBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1c(C)ncc1[N+](=O)[O-] ZINC000934321243 714794395 /nfs/dbraw/zinc/79/43/95/714794395.db2.gz BFDLIJVECFIEEK-OLZOCXBDSA-N 1 0 321.381 1.185 20 5 DDBDRO C[NH+](C)C1CC(NC(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000935829502 715131283 /nfs/dbraw/zinc/13/12/83/715131283.db2.gz JXBSFVVXJAOCJN-AXVKAWJUSA-N 1 0 303.362 1.907 20 5 DDBDRO CCn1nccc1C(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001126184558 738484643 /nfs/dbraw/zinc/48/46/43/738484643.db2.gz MDRBRMBVYTZIIR-UHFFFAOYSA-N 1 0 317.349 1.331 20 5 DDBDRO Cc1cc(CC(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])n[nH]1 ZINC001125546556 734481050 /nfs/dbraw/zinc/48/10/50/734481050.db2.gz GJWHPMDMIIWFGJ-UHFFFAOYSA-N 1 0 317.349 1.075 20 5 DDBDRO Cn1c(C[N+](=O)[O-])nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC001121391759 782488925 /nfs/dbraw/zinc/48/89/25/782488925.db2.gz JQKWLFRMOGJIKC-UHFFFAOYSA-N 1 0 308.386 1.047 20 5 DDBDRO CC(C)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC001025685041 736820132 /nfs/dbraw/zinc/82/01/32/736820132.db2.gz AMPUANWWJUJOAU-NHAGDIPZSA-N 1 0 303.362 1.797 20 5 DDBDRO O=C(Cc1ccoc1)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001126134617 738370980 /nfs/dbraw/zinc/37/09/80/738370980.db2.gz IYZXYZLAPZQZAY-UHFFFAOYSA-N 1 0 303.318 1.636 20 5 DDBDRO CC[NH+](CC)CC(=O)N(C)CCN(C)c1ccc([N+](=O)[O-])cn1 ZINC001105407974 740995770 /nfs/dbraw/zinc/99/57/70/740995770.db2.gz PKSXJJHBZBQGRZ-UHFFFAOYSA-N 1 0 323.397 1.226 20 5 DDBDRO CC(=O)N1CCc2cc(N[C@H]3C[NH2+]CC[C@H]3F)cc([N+](=O)[O-])c21 ZINC001168232271 741834390 /nfs/dbraw/zinc/83/43/90/741834390.db2.gz ZCOYHZOHBYEBDC-OLZOCXBDSA-N 1 0 322.340 1.616 20 5 DDBDRO Cc1cncc(C[NH+]2CCC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1 ZINC001002783492 743424615 /nfs/dbraw/zinc/42/46/15/743424615.db2.gz USLXDKFINSXPKF-HUUCEWRRSA-N 1 0 318.377 1.136 20 5 DDBDRO CC(C)[C@@H]1C[C@H]([NH+]2CCCC2)CN1c1ncc([N+](=O)[O-])c(N)n1 ZINC001187870377 744629815 /nfs/dbraw/zinc/62/98/15/744629815.db2.gz AOHDTDGMGCSVGW-RYUDHWBXSA-N 1 0 320.397 1.666 20 5 DDBDRO COc1ccc(C[NH2+]CCN2CCOCC2(C)C)cc1[N+](=O)[O-] ZINC001200088800 748132770 /nfs/dbraw/zinc/13/27/70/748132770.db2.gz OPJKSFSUUYMLBI-UHFFFAOYSA-N 1 0 323.393 1.804 20 5 DDBDRO Cc1ccc(C[NH2+]C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1 ZINC000996429229 749588308 /nfs/dbraw/zinc/58/83/08/749588308.db2.gz MTINNCNWXJNWQC-HZPDHXFCSA-N 1 0 317.389 1.741 20 5 DDBDRO COc1cc(C)c([N+](=O)[O-])cc1-n1cc2c(n1)CC[C@@H]([NH3+])C2 ZINC001168818800 762068887 /nfs/dbraw/zinc/06/88/87/762068887.db2.gz ABSKHKYARCSTLV-LLVKDONJSA-N 1 0 302.334 1.914 20 5 DDBDRO CCOC(=O)CN1CCC([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168992963 762166645 /nfs/dbraw/zinc/16/66/45/762166645.db2.gz LWDBXBCEQFGLHQ-JSGCOSHPSA-N 1 0 313.398 1.049 20 5 DDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CC2CCN(c3cnccn3)CC2)C1 ZINC001168990721 762182501 /nfs/dbraw/zinc/18/25/01/762182501.db2.gz DRFDFMCUACPFAW-LSDHHAIUSA-N 1 0 319.409 1.728 20 5 DDBDRO CCOC(=O)N1CCC([N@H+](C)[C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169038631 762193683 /nfs/dbraw/zinc/19/36/83/762193683.db2.gz JMBWXFDHYSRBNK-OCCSQVGLSA-N 1 0 313.398 1.985 20 5 DDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@H+]2C[C@H]3CN(CC4CC4)C[C@@H](C2)O3)C1 ZINC001169023823 762202036 /nfs/dbraw/zinc/20/20/36/762202036.db2.gz FLWKVSDPPWPYRE-XUWVNRHRSA-N 1 0 309.410 1.227 20 5 DDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CCN(Cc3ccncc3)CC2)C1 ZINC001169024934 762202411 /nfs/dbraw/zinc/20/24/11/762202411.db2.gz HVZPEROECIXDMQ-JKSUJKDBSA-N 1 0 304.394 1.645 20 5 DDBDRO COC(=O)c1cnc2c(c1)C[N@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169055915 762210795 /nfs/dbraw/zinc/21/07/95/762210795.db2.gz RFGKWGUWYYRBGX-RISCZKNCSA-N 1 0 319.361 1.672 20 5 DDBDRO COc1cc(O[C@@H]2CC[N@@H+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)C2)ccn1 ZINC001169056366 762211367 /nfs/dbraw/zinc/21/13/67/762211367.db2.gz SLESEXBMHIKDRB-KCQAQPDRSA-N 1 0 321.377 1.989 20 5 DDBDRO O=C(Cc1ncc[nH]1)NCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001169204090 762278561 /nfs/dbraw/zinc/27/85/61/762278561.db2.gz HJMBISVHRHWDLV-UHFFFAOYSA-N 1 0 323.378 1.218 20 5 DDBDRO C[C@H]([NH3+])c1ccn(-c2ccc([N+](=O)[O-])c3c2CCN(C)C3)n1 ZINC001169234354 762293429 /nfs/dbraw/zinc/29/34/29/762293429.db2.gz HPXICHIDRHPOPW-JTQLQIEISA-N 1 0 301.350 1.788 20 5 DDBDRO Cc1c[n+]([O-])c(N2CCCc3ccc(C[NH3+])nc32)cc1[N+](=O)[O-] ZINC001169583988 762544114 /nfs/dbraw/zinc/54/41/14/762544114.db2.gz JPKIUEPMONMFPG-UHFFFAOYSA-N 1 0 315.333 1.475 20 5 DDBDRO Cc1ccc(C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000823785271 758362682 /nfs/dbraw/zinc/36/26/82/758362682.db2.gz ZZQIEMZNCHWRON-SWLSCSKDSA-N 1 0 320.393 1.267 20 5 DDBDRO C[NH+](C)C[C@@H]1COCCN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC001154960749 759769833 /nfs/dbraw/zinc/76/98/33/759769833.db2.gz GYNBWXPBZKWVTL-SNVBAGLBSA-N 1 0 300.746 1.410 20 5 DDBDRO C[C@H]1C[NH2+]CCC[C@@H]1CNc1cc([N+](=O)[O-])cc(Cl)[n+]1[O-] ZINC001155029637 760314300 /nfs/dbraw/zinc/31/43/00/760314300.db2.gz HBLMYMHWGZGJHB-VHSXEESVSA-N 1 0 314.773 1.929 20 5 DDBDRO O=C(N[C@H]1C[C@H]([NH2+]CCc2cccs2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001020139565 760613983 /nfs/dbraw/zinc/61/39/83/760613983.db2.gz FWBWCMDAKVZSON-FPQZTECRSA-N 1 0 309.391 1.193 20 5 DDBDRO Cc1ncccc1C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001086363518 761492706 /nfs/dbraw/zinc/49/27/06/761492706.db2.gz YYLKSSJLJARPOH-NMFUWQPSSA-N 1 0 318.377 1.040 20 5 DDBDRO CCOC(=O)c1cccc([N+](=O)[O-])c1N[C@@H](C)[C@H]1C[NH2+]CCO1 ZINC001170570881 768192232 /nfs/dbraw/zinc/19/22/32/768192232.db2.gz LSHKMUOLIYAVPI-GXFFZTMASA-N 1 0 323.349 1.560 20 5 DDBDRO COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2CCNC(=O)C2)c([N+](=O)[O-])c1 ZINC001170299764 766228130 /nfs/dbraw/zinc/22/81/30/766228130.db2.gz WLWONTQNMPIPMX-VXGBXAGGSA-N 1 0 321.377 1.650 20 5 DDBDRO Cc1c(F)cc([N+](=O)[O-])cc1NCCOCCOCC[NH3+] ZINC001170513503 767726795 /nfs/dbraw/zinc/72/67/95/767726795.db2.gz LXZUHNZDILTJMV-UHFFFAOYSA-N 1 0 301.318 1.446 20 5 DDBDRO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001048524903 769493356 /nfs/dbraw/zinc/49/33/56/769493356.db2.gz FAJBFAHRJJXCDF-YIDVYQOGSA-N 1 0 321.421 1.811 20 5 DDBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CC[NH2+]C2(CC2)C1 ZINC001158937877 770149512 /nfs/dbraw/zinc/14/95/12/770149512.db2.gz DICGKZNCDYJENR-UHFFFAOYSA-N 1 0 306.322 1.109 20 5 DDBDRO O=C(NCCC[NH+]1CCCCC1)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001135874247 771765252 /nfs/dbraw/zinc/76/52/52/771765252.db2.gz VEUUCLRKBCTUAF-UHFFFAOYSA-N 1 0 315.761 1.577 20 5 DDBDRO C[NH+](C)C[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001136604945 772036048 /nfs/dbraw/zinc/03/60/48/772036048.db2.gz YVZWWKGKANSBJD-GFCCVEGCSA-N 1 0 306.366 1.733 20 5 DDBDRO COC(=O)COc1c(C)cc(NCC(C)(C)[NH3+])cc1[N+](=O)[O-] ZINC001171195573 772554708 /nfs/dbraw/zinc/55/47/08/772554708.db2.gz XPFRRZDNBZWGQD-UHFFFAOYSA-N 1 0 311.338 1.604 20 5 DDBDRO COC(=O)Cc1ccc(NC[C@@H]2CCCC[NH2+]2)cc1[N+](=O)[O-] ZINC001171334144 773539468 /nfs/dbraw/zinc/53/94/68/773539468.db2.gz GOIDKZQHMBBLTO-ZDUSSCGKSA-N 1 0 307.350 1.864 20 5 DDBDRO COc1ccc([N+](=O)[O-])nc1N1c2ccccc2OC[C@H]1C[NH3+] ZINC001171398587 774464064 /nfs/dbraw/zinc/46/40/64/774464064.db2.gz AMROZRIIMAQGLW-SNVBAGLBSA-N 1 0 316.317 1.856 20 5 DDBDRO COc1ncc([N+](=O)[O-])cc1N1c2ccccc2OC[C@H]1C[NH3+] ZINC001171400648 774490171 /nfs/dbraw/zinc/49/01/71/774490171.db2.gz NEKISMIDKYBTOO-LLVKDONJSA-N 1 0 316.317 1.856 20 5 DDBDRO Cc1cc([N+](=O)[O-])cnc1NCCNC(=O)C[N@@H+](C)C(C)C ZINC001093674055 774989046 /nfs/dbraw/zinc/98/90/46/774989046.db2.gz LWGUHCWUZCGWJC-UHFFFAOYSA-N 1 0 309.370 1.167 20 5 DDBDRO C[NH+]1CCC(C(=O)NCCNc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC001093700640 775019120 /nfs/dbraw/zinc/01/91/20/775019120.db2.gz CZMPZAGAELPDNV-UHFFFAOYSA-N 1 0 324.356 1.604 20 5 DDBDRO CCC[N@H+](C)CC(=O)NCCNc1ccc([N+](=O)[O-])cc1F ZINC001093787770 775078686 /nfs/dbraw/zinc/07/86/86/775078686.db2.gz KKHZDSMALQYFSB-UHFFFAOYSA-N 1 0 312.345 1.604 20 5 DDBDRO CC[N@H+](C)CCC(=O)NCCNc1ccc(C)cc1[N+](=O)[O-] ZINC001093840565 775125130 /nfs/dbraw/zinc/12/51/30/775125130.db2.gz NKVKKJADTBGIIH-UHFFFAOYSA-N 1 0 308.382 1.773 20 5 DDBDRO CC[NH+](CC)CC(=O)NCCCNc1nccc(C)c1[N+](=O)[O-] ZINC001094441775 775878221 /nfs/dbraw/zinc/87/82/21/775878221.db2.gz ALQPEPUTDWEFPM-UHFFFAOYSA-N 1 0 323.397 1.558 20 5 DDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCOCCOCCO ZINC001173216901 777049120 /nfs/dbraw/zinc/04/91/20/777049120.db2.gz KCBSHNOMOURNEN-CYBMUJFWSA-N 1 0 312.366 1.141 20 5 DDBDRO CCOC(=O)CN(CC[NH3+])[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173217889 777049674 /nfs/dbraw/zinc/04/96/74/777049674.db2.gz HGONPMOHMUZLMJ-GFCCVEGCSA-N 1 0 309.366 1.350 20 5 DDBDRO CC(C)(C[NH2+]CC1CC1)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001101540679 777230883 /nfs/dbraw/zinc/23/08/83/777230883.db2.gz PBAFLDLBIKUUGT-HUUCEWRRSA-N 1 0 323.437 1.916 20 5 DDBDRO C[NH+](C)CCC(=O)N1CCCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001095204944 777234226 /nfs/dbraw/zinc/23/42/26/777234226.db2.gz NKRJMGXSJUWAIQ-UHFFFAOYSA-N 1 0 320.393 1.585 20 5 DDBDRO C[NH+](C)CCC(=O)N1CCC(Nc2ccc([N+](=O)[O-])cn2)CC1 ZINC001095247739 777315716 /nfs/dbraw/zinc/31/57/16/777315716.db2.gz XVASEVLQXYEFER-UHFFFAOYSA-N 1 0 321.381 1.344 20 5 DDBDRO CC(C)OCC[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001178450222 779035088 /nfs/dbraw/zinc/03/50/88/779035088.db2.gz YGFZQIFWFINRLJ-ZIAGYGMSSA-N 1 0 315.414 1.343 20 5 DDBDRO [NH3+][C@H]1C[C@@H](NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC001343712306 839882399 /nfs/dbraw/zinc/88/23/99/839882399.db2.gz VFINDPDPMHSXIZ-DTORHVGOSA-N 1 0 315.782 1.946 20 5 DDBDRO O=C(NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1)c1ncc[nH]1 ZINC001269407233 841614006 /nfs/dbraw/zinc/61/40/06/841614006.db2.gz HLPUHAUZOMIOOL-UHFFFAOYSA-N 1 0 315.333 1.370 20 5 DDBDRO O=C(NCCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1ccc[nH]1 ZINC001154562947 861222658 /nfs/dbraw/zinc/22/26/58/861222658.db2.gz OUUBSBWDPCOQGE-UHFFFAOYSA-N 1 0 308.363 1.894 20 5 DDBDRO C[C@@H](CN1CC[NH2+]CC1)Nc1ncnc2cc([N+](=O)[O-])ccc21 ZINC001154748873 861421288 /nfs/dbraw/zinc/42/12/88/861421288.db2.gz SVBCFJRUMCLFNM-NSHDSACASA-N 1 0 316.365 1.244 20 5 DDBDRO CC(C)(F)c1cc(OC(=O)C[C@@H](O)C[N+](C)(C)C)ncn1 ZINC001227843389 843816877 /nfs/dbraw/zinc/81/68/77/843816877.db2.gz NXNAEGTVBQXTNN-SNVBAGLBSA-N 1 0 300.354 1.044 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H]2C[C@@H]([NH+](C)C)C23CCC3)n1 ZINC001149204871 861485420 /nfs/dbraw/zinc/48/54/20/861485420.db2.gz IWIRVLJZSYVQLS-ZIAGYGMSSA-N 1 0 318.377 1.901 20 5 DDBDRO COc1nc(-n2cncc2C2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC001155054221 861683113 /nfs/dbraw/zinc/68/31/13/861683113.db2.gz VLOSYTXBICIZOB-UHFFFAOYSA-N 1 0 303.322 1.651 20 5 DDBDRO COc1nc(N2C[C@H]([NH3+])Cc3ccccc32)ncc1[N+](=O)[O-] ZINC001155297637 861944322 /nfs/dbraw/zinc/94/43/22/861944322.db2.gz GJJBALLKERDDFE-SNVBAGLBSA-N 1 0 301.306 1.415 20 5 DDBDRO Cc1c(C)c(NCc2nnn3c2C[NH2+]CCC3)ncc1[N+](=O)[O-] ZINC001155397458 862039262 /nfs/dbraw/zinc/03/92/62/862039262.db2.gz KXCLJXJBDXYBPW-UHFFFAOYSA-N 1 0 317.353 1.304 20 5 DDBDRO CC[C@@H]1[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CCC[C@]12CCC(=O)N2 ZINC001169021512 850518367 /nfs/dbraw/zinc/51/83/67/850518367.db2.gz LGKQCJPNRMFIDS-HOSILWTGSA-N 1 0 309.410 1.955 20 5 DDBDRO O=C1C[C@@H]2[NH2+]CC[C@]2(Nc2ncc([N+](=O)[O-])c3ccccc23)N1 ZINC001155573205 862243120 /nfs/dbraw/zinc/24/31/20/862243120.db2.gz YWWDNHOGVOSEFC-SWLSCSKDSA-N 1 0 313.317 1.133 20 5 DDBDRO CCOc1nc(N[C@H]2CCO[C@]3(CC[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC001155620436 862301370 /nfs/dbraw/zinc/30/13/70/862301370.db2.gz LBLNUCUBPNRXDE-XHDPSFHLSA-N 1 0 322.365 1.712 20 5 DDBDRO Cc1nccn1CC(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001151147506 862651677 /nfs/dbraw/zinc/65/16/77/862651677.db2.gz OZIWJOWHPAAMRP-UHFFFAOYSA-N 1 0 317.349 1.006 20 5 DDBDRO Cc1nn(CCC(=O)N2[C@H](C)C[NH2+][C@@H](C)[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC001122182506 858705158 /nfs/dbraw/zinc/70/51/58/858705158.db2.gz VUIGWRZUCTXQQV-SCVCMEIPSA-N 1 0 323.397 1.396 20 5 DDBDRO COc1ccc(CC(=O)N2CC[C@H](C[NH3+])[C@@H](C)C2)cc1[N+](=O)[O-] ZINC001122209573 858714393 /nfs/dbraw/zinc/71/43/93/858714393.db2.gz GTEWGAGETKVUEH-WCQYABFASA-N 1 0 321.377 1.589 20 5 DDBDRO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)COc1cccc([N+](=O)[O-])c1)C2 ZINC001122318063 858750185 /nfs/dbraw/zinc/75/01/85/858750185.db2.gz XJQKJFFHZVKHTN-LOWVWBTDSA-N 1 0 305.334 1.312 20 5 DDBDRO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)COc1ccc([N+](=O)[O-])c(F)c1)C2 ZINC001122403436 858796181 /nfs/dbraw/zinc/79/61/81/858796181.db2.gz GIUBJFWUCVIJNG-DCAQKATOSA-N 1 0 323.324 1.451 20 5 DDBDRO COC[C@H]1C[NH2+]CCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC001122417935 858800425 /nfs/dbraw/zinc/80/04/25/858800425.db2.gz AGFKZYWIJINONS-GFCCVEGCSA-N 1 0 313.741 1.309 20 5 DDBDRO CCN(C(=O)CN(C)c1ccccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC001122610254 858909946 /nfs/dbraw/zinc/90/99/46/858909946.db2.gz TWMCSCAXANQINE-CYBMUJFWSA-N 1 0 320.393 1.632 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)O[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC001123003165 859049654 /nfs/dbraw/zinc/04/96/54/859049654.db2.gz RHLDJEYWVMVRDE-NEPJUHHUSA-N 1 0 308.338 1.270 20 5 DDBDRO CC1(C)CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC(C)(C)[NH2+]1 ZINC001124023036 859532239 /nfs/dbraw/zinc/53/22/39/859532239.db2.gz DKWJCQHACGLIMK-UHFFFAOYSA-N 1 0 309.370 1.170 20 5 DDBDRO O=C([C@@H]1C[C@@]12CCC[NH2+]C2)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001329099338 863474879 /nfs/dbraw/zinc/47/48/79/863474879.db2.gz JACWYGYVWYQECF-GOEBONIOSA-N 1 0 301.346 1.827 20 5 DDBDRO O=C(NCCC[NH2+]CCCCC(F)(F)F)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157767854 864118249 /nfs/dbraw/zinc/11/82/49/864118249.db2.gz YAEBBMRAAQLKGK-NXEZZACHSA-N 1 0 311.304 1.480 20 5 DDBDRO O=C(NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1)C1CCOCC1 ZINC001154109050 864416050 /nfs/dbraw/zinc/41/60/50/864416050.db2.gz PRCIIAVOPNFXLO-UHFFFAOYSA-N 1 0 321.377 1.617 20 5 DDBDRO COc1cc2ncnc(-n3cc(CC[NH3+])cn3)c2cc1[N+](=O)[O-] ZINC001158100409 864428888 /nfs/dbraw/zinc/42/88/88/864428888.db2.gz HADNFIITBVRWLB-UHFFFAOYSA-N 1 0 314.305 1.234 20 5 DDBDRO [NH3+][C@H]1CCN(C2CCN(c3ncc(F)cc3[N+](=O)[O-])CC2)C1 ZINC001158259284 864520373 /nfs/dbraw/zinc/52/03/73/864520373.db2.gz PPAUNEGQTALYNC-NSHDSACASA-N 1 0 309.345 1.131 20 5 DDBDRO [NH3+][C@]12CCC[C@H]1CN(C(=O)/C=C\c1ccc([N+](=O)[O-])cc1)C2 ZINC001331049748 864804472 /nfs/dbraw/zinc/80/44/72/864804472.db2.gz GFNJQFYWJAZRMS-DLOCJZORSA-N 1 0 301.346 1.948 20 5 DDBDRO CO[C@@H]1CN(c2cc([N+](=O)[O-])cc3c(Cl)ncnc32)C[C@@H]1[NH3+] ZINC001158712241 864840259 /nfs/dbraw/zinc/84/02/59/864840259.db2.gz AJKCVEJVSQQRKQ-GXSJLCMTSA-N 1 0 323.740 1.354 20 5 DDBDRO [NH3+][C@@H]1CN(c2nc(Cl)c(Cl)cc2[N+](=O)[O-])CC12COC2 ZINC001158762315 864886567 /nfs/dbraw/zinc/88/65/67/864886567.db2.gz MVDNNVKUZIBFCQ-MRVPVSSYSA-N 1 0 319.148 1.461 20 5 DDBDRO O=[N+]([O-])c1cnc(NCC23CC[NH+](CC2)CC3)c([N+](=O)[O-])c1 ZINC001158824251 864921480 /nfs/dbraw/zinc/92/14/80/864921480.db2.gz LLYCXRVNHACDMY-UHFFFAOYSA-N 1 0 307.310 1.796 20 5 DDBDRO CSc1nc(Cl)c([N+](=O)[O-])c(NCCN(C)CC[NH3+])n1 ZINC001159432549 865286423 /nfs/dbraw/zinc/28/64/23/865286423.db2.gz YFRNDTUDNLDJRF-UHFFFAOYSA-N 1 0 320.806 1.063 20 5 DDBDRO [NH3+]CCOCCOCCNc1ncc([N+](=O)[O-])cc1Cl ZINC001159443216 865299000 /nfs/dbraw/zinc/29/90/00/865299000.db2.gz NSZOUJHKGWEIFQ-UHFFFAOYSA-N 1 0 304.734 1.047 20 5 DDBDRO CC[C@]1(c2nc(-c3c([N+](=O)[O-])nc(C)n3C)no2)CC[NH2+]C1 ZINC001332359390 865787662 /nfs/dbraw/zinc/78/76/62/865787662.db2.gz OQGJHRYZPMOPIE-ZDUSSCGKSA-N 1 0 306.326 1.328 20 5 DDBDRO C[NH2+][C@@H](C)CCNC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC001332398919 865814735 /nfs/dbraw/zinc/81/47/35/865814735.db2.gz CDTHALROYDOJNA-VIFPVBQESA-N 1 0 309.322 1.109 20 5 DDBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N(C1COC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001161280608 866487763 /nfs/dbraw/zinc/48/77/63/866487763.db2.gz GBTNJICJDIZBPF-HAQNSBGRSA-N 1 0 322.365 1.012 20 5 DDBDRO Cc1nn(C)c(-c2nc([C@@H]3C[NH+]4CCC3CC4)no2)c1[N+](=O)[O-] ZINC001320206616 866561306 /nfs/dbraw/zinc/56/13/06/866561306.db2.gz CQMLCENKPXTONI-SNVBAGLBSA-N 1 0 318.337 1.496 20 5 DDBDRO COCCC1([NH3+])CCN(c2nc(Cl)ncc2[N+](=O)[O-])CC1 ZINC001162041066 867209730 /nfs/dbraw/zinc/20/97/30/867209730.db2.gz ARQREROQHRWVPT-UHFFFAOYSA-N 1 0 315.761 1.372 20 5 DDBDRO Cc1cc(Cl)c(N(CC[NH3+])S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC001162135267 867282071 /nfs/dbraw/zinc/28/20/71/867282071.db2.gz ZOCYKTJWCVHFSU-UHFFFAOYSA-N 1 0 307.759 1.281 20 5 DDBDRO COc1nc(SC)nc(N[C@H]2CCC[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC001162393479 867508852 /nfs/dbraw/zinc/50/88/52/867508852.db2.gz VWULPYJOJLAQKN-YUMQZZPRSA-N 1 0 313.383 1.797 20 5 DDBDRO O=[N+]([O-])c1cc(Cl)[n+]([O-])cc1NC[C@]1(F)CCCC[NH2+]C1 ZINC001162574565 867653609 /nfs/dbraw/zinc/65/36/09/867653609.db2.gz ZVNNVBWWBFZJDC-LBPRGKRZSA-N 1 0 318.736 1.775 20 5 DDBDRO CCOc1cc(N[C@@H]2COCCC23C[NH2+]C3)ccc1[N+](=O)[O-] ZINC001163079884 868062995 /nfs/dbraw/zinc/06/29/95/868062995.db2.gz CYJPCIXYVNBAJF-CQSZACIVSA-N 1 0 307.350 1.784 20 5 DDBDRO O=[N+]([O-])c1cc(F)ccc1N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC001335117118 868075666 /nfs/dbraw/zinc/07/56/66/868075666.db2.gz KNCAUYVTBUACJQ-OLZOCXBDSA-N 1 0 309.341 1.769 20 5 DDBDRO CC(C)(C)c1cnc(N[C@]23CC[NH2+][C@@H]2CC(=O)N3)c([N+](=O)[O-])c1 ZINC001163234723 868238216 /nfs/dbraw/zinc/23/82/16/868238216.db2.gz BMKFITFDDJVYRH-IAQYHMDHSA-N 1 0 319.365 1.277 20 5 DDBDRO C[C@@H](C[NH+](C)C)Nc1c2cc([N+](=O)[O-])ccc2ncc1[N+](=O)[O-] ZINC001163242358 868251014 /nfs/dbraw/zinc/25/10/14/868251014.db2.gz NNSGXWKHIHOLCY-VIFPVBQESA-N 1 0 319.321 1.835 20 5 DDBDRO O=C1C[C@H]2[NH2+]CC[C@]2(Nc2cc3ccccc3c([N+](=O)[O-])c2)N1 ZINC001163255263 868264988 /nfs/dbraw/zinc/26/49/88/868264988.db2.gz UVCCQEZEILCMEA-ZBFHGGJFSA-N 1 0 312.329 1.738 20 5 DDBDRO CCOC(=O)c1cnc(N[C@H]2CC[C@@H]3C[NH2+]C[C@@H]32)c([N+](=O)[O-])c1 ZINC001163261487 868275847 /nfs/dbraw/zinc/27/58/47/868275847.db2.gz YWWZDTWJDYOIJT-USWWRNFRSA-N 1 0 320.349 1.576 20 5 DDBDRO C[N@@H+]1C[C@H]2CCN(C(=O)NCCc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC001335422077 868285474 /nfs/dbraw/zinc/28/54/74/868285474.db2.gz QPNBIYDLVCBQAI-HIFRSBDPSA-N 1 0 318.377 1.483 20 5 DDBDRO COc1c(O)ccc(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3O)c1[N+](=O)[O-] ZINC001335420867 868285854 /nfs/dbraw/zinc/28/58/54/868285854.db2.gz JQXCEPBTWCFGMI-ODOQXGPZSA-N 1 0 322.361 1.902 20 5 DDBDRO O=[N+]([O-])c1cc2c(nc1N[C@H]1C[NH2+][C@@H]3CCO[C@@H]31)CCCC2 ZINC001163337626 868367690 /nfs/dbraw/zinc/36/76/90/868367690.db2.gz UJURTGXZOCWBDA-DYEKYZERSA-N 1 0 304.350 1.410 20 5 DDBDRO CC1(C)C[NH2+]C[C@@H]1NC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC001335547370 868376593 /nfs/dbraw/zinc/37/65/93/868376593.db2.gz WWXVJIIMNXLDLG-ZDUSSCGKSA-N 1 0 306.366 1.435 20 5 DDBDRO CCC1(CCNc2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)OCCO1 ZINC001163357354 868393422 /nfs/dbraw/zinc/39/34/22/868393422.db2.gz KPTKVZGGNIVMFC-UHFFFAOYSA-N 1 0 323.353 1.027 20 5 DDBDRO O=[N+]([O-])c1ccc(NCCNC[C@H](O)C[NH+]2CCCC2)cc1 ZINC001335898630 868606204 /nfs/dbraw/zinc/60/62/04/868606204.db2.gz UIYGMHPBOGOMOL-HNNXBMFYSA-N 1 0 308.382 1.053 20 5 DDBDRO COc1cccc(C(=O)NC[C@H]2CCCC[N@@H+]2C)c1[N+](=O)[O-] ZINC001336223740 868800070 /nfs/dbraw/zinc/80/00/70/868800070.db2.gz MIIXPVVUKIFVJN-LLVKDONJSA-N 1 0 307.350 1.818 20 5 DDBDRO Cn1cc([N+](=O)[O-])c(N2CC[NH2+][C@@H](c3ccc(O)cc3)C2)n1 ZINC001164039749 868908083 /nfs/dbraw/zinc/90/80/83/868908083.db2.gz XBLKOCSEQOSHQT-GFCCVEGCSA-N 1 0 303.322 1.185 20 5 DDBDRO CC[NH+]1CCN(C2CN(c3nc(C)ccc3[N+](=O)[O-])C2)CC1 ZINC001336729833 869113745 /nfs/dbraw/zinc/11/37/45/869113745.db2.gz VFIBUOZCECYOGZ-UHFFFAOYSA-N 1 0 305.382 1.124 20 5 DDBDRO C[C@H](NC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1ccccc1[N+](=O)[O-] ZINC001336927337 869220658 /nfs/dbraw/zinc/22/06/58/869220658.db2.gz XLCDKERLPJXFDQ-JULQROHOSA-N 1 0 304.350 1.848 20 5 DDBDRO CSc1nc(Cl)nc(N2CCC[C@H]3[NH2+]C[C@@H]32)c1[N+](=O)[O-] ZINC001165394121 869564751 /nfs/dbraw/zinc/56/47/51/869564751.db2.gz PGUIBDSJAAIYFE-RQJHMYQMSA-N 1 0 315.786 1.701 20 5 DDBDRO COc1cc(C)nc(N2CCC(C3C[NH2+]C3)CC2)c1[N+](=O)[O-] ZINC001165410090 869576681 /nfs/dbraw/zinc/57/66/81/869576681.db2.gz CHMRHZVDYNAOOX-UHFFFAOYSA-N 1 0 306.366 1.743 20 5 DDBDRO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3c(F)cccc3[N+](=O)[O-])[C@@H]2C1 ZINC001338463884 869992496 /nfs/dbraw/zinc/99/24/96/869992496.db2.gz NPNWPZZTTRJZBA-UMNHJUIQSA-N 1 0 307.325 1.804 20 5 DDBDRO O=[N+]([O-])c1cnc(N2CCC[C@H](C(F)F)C2)nc1C1C[NH2+]C1 ZINC001166776316 870241488 /nfs/dbraw/zinc/24/14/88/870241488.db2.gz GQSFVFDKPBTRMS-QMMMGPOBSA-N 1 0 313.308 1.553 20 5 DDBDRO Cc1cc(C(F)(F)F)ncc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001226406585 882410793 /nfs/dbraw/zinc/41/07/93/882410793.db2.gz ZXEONJMGVNSNRL-SNVBAGLBSA-N 1 0 321.319 1.771 20 5 DDBDRO CC(C)OCC(=O)N(C)CC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001317572351 871110231 /nfs/dbraw/zinc/11/02/31/871110231.db2.gz JHURVMPPMGXOCX-UHFFFAOYSA-N 1 0 315.395 1.629 20 5 DDBDRO CC(C)(C)c1ccc(C(=O)N2CC[NH2+]C[C@H]2CO)cc1[N+](=O)[O-] ZINC001340843466 871384236 /nfs/dbraw/zinc/38/42/36/871384236.db2.gz AUSSNSSORVAVGL-LBPRGKRZSA-N 1 0 321.377 1.299 20 5 DDBDRO [NH3+]CC[C@H]1CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC001341121321 871512710 /nfs/dbraw/zinc/51/27/10/871512710.db2.gz FTNPBACXTCNIQS-NSHDSACASA-N 1 0 309.391 1.884 20 5 DDBDRO Cc1cccc(C(=O)N2CCC3(CC2)C[NH2+]CCO3)c1[N+](=O)[O-] ZINC001341204703 871556660 /nfs/dbraw/zinc/55/66/60/871556660.db2.gz AIUHVLSGGBCAKW-UHFFFAOYSA-N 1 0 319.361 1.498 20 5 DDBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1COCC[NH2+]1 ZINC001341464625 871667895 /nfs/dbraw/zinc/66/78/95/871667895.db2.gz WUCBCBNMNRUFOZ-SECBINFHSA-N 1 0 311.363 1.035 20 5 DDBDRO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Nc3ccc(N)c([N+](=O)[O-])c3)[C@H]2C1 ZINC001310993121 871668987 /nfs/dbraw/zinc/66/89/87/871668987.db2.gz WWHAWJNIEZZPSV-XHVZSJERSA-N 1 0 319.365 1.639 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)C[C@@H]21 ZINC001205641870 871670489 /nfs/dbraw/zinc/67/04/89/871670489.db2.gz WHUCUHDOTLWZAP-RNCFNFMXSA-N 1 0 308.313 1.902 20 5 DDBDRO O=C(CCc1cc(F)ccc1[N+](=O)[O-])N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC001341686240 871774752 /nfs/dbraw/zinc/77/47/52/871774752.db2.gz LDENDNNXYRLUIO-GXTWGEPZSA-N 1 0 321.352 1.877 20 5 DDBDRO O=C([C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC001341799820 871830647 /nfs/dbraw/zinc/83/06/47/871830647.db2.gz WNUHSYYUKZMFFM-BEAPCOKYSA-N 1 0 301.346 1.519 20 5 DDBDRO CO[C@@H]1C[NH2+][C@@](C)(C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC001342594127 872284171 /nfs/dbraw/zinc/28/41/71/872284171.db2.gz ZDWLOAWFPFKNLC-VZJVUDMVSA-N 1 0 307.350 1.539 20 5 DDBDRO C[C@@H]1[NH2+]C[C@H](C)N(C(=O)CCOc2ccccc2[N+](=O)[O-])[C@H]1C ZINC001342628968 872305070 /nfs/dbraw/zinc/30/50/70/872305070.db2.gz JSZGOFKLQHOTDD-AVGNSLFASA-N 1 0 321.377 1.961 20 5 DDBDRO O=C(NCC[NH+]1CC=CC1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC001319035106 872407021 /nfs/dbraw/zinc/40/70/21/872407021.db2.gz GTQWRIBXAZDFEP-UHFFFAOYSA-N 1 0 300.318 1.678 20 5 DDBDRO [NH3+][C@@H]1CN(C(=O)c2c(F)cccc2[N+](=O)[O-])C[C@H]1C(F)(F)F ZINC001344720042 873089657 /nfs/dbraw/zinc/08/96/57/873089657.db2.gz KCVRAFFKCOETPS-HTRCEHHLSA-N 1 0 321.230 1.696 20 5 DDBDRO C[NH2+][C@H](C)CCNC(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC001345143357 873270417 /nfs/dbraw/zinc/27/04/17/873270417.db2.gz VGLPVLUCWVRPJY-SNVBAGLBSA-N 1 0 310.354 1.401 20 5 DDBDRO O=C(CO[C@@H]1CCC[NH2+]C1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001346047757 873600534 /nfs/dbraw/zinc/60/05/34/873600534.db2.gz UKUAYIBSMOZZHS-OAHLLOKOSA-N 1 0 319.361 1.248 20 5 DDBDRO Cc1cc(NC(=O)NC[C@H]2C[N@@H+](C)CCN2C)cc([N+](=O)[O-])c1 ZINC001350262730 875602419 /nfs/dbraw/zinc/60/24/19/875602419.db2.gz RYAGIUWPVSILIX-AWEZNQCLSA-N 1 0 321.381 1.271 20 5 DDBDRO C[C@@H](C[NH+](C)C)Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001227499198 883048719 /nfs/dbraw/zinc/04/87/19/883048719.db2.gz VOOYWZBXHRTFSH-ZETCQYMHSA-N 1 0 314.254 1.740 20 5 DDBDRO O=[N+]([O-])C[C@H](OC[C@H]1CCC[NH2+]C1)c1ccc2c(c1)OCO2 ZINC001217912230 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[NH3+]CC[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000307889042 354472846 /nfs/dbraw/zinc/47/28/46/354472846.db2.gz XOQUMUOFJAJSBJ-VIFPVBQESA-N 1 0 306.244 1.996 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2CCc3ccccc3C2)c1 ZINC000321121499 354530822 /nfs/dbraw/zinc/53/08/22/354530822.db2.gz QGBONIXFCPISBI-GOEBONIOSA-N 1 0 316.361 1.299 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCSc2ccccc2)c1 ZINC000314609953 354486592 /nfs/dbraw/zinc/48/65/92/354486592.db2.gz UUPBARBSCFRQOU-CYBMUJFWSA-N 1 0 322.390 1.534 20 5 DDBDRO CC[C@H]1CN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000317578329 354512029 /nfs/dbraw/zinc/51/20/29/354512029.db2.gz MUJALVROMHENII-RYUDHWBXSA-N 1 0 306.366 1.593 20 5 DDBDRO Cc1ccc(S(=O)(=O)NCCC2(C[NH3+])CC2)cc1[N+](=O)[O-] ZINC000404839090 354676520 /nfs/dbraw/zinc/67/65/20/354676520.db2.gz LYJGXWFMTVGJDP-UHFFFAOYSA-N 1 0 313.379 1.311 20 5 DDBDRO CCO[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1C[NH3+] ZINC000405804278 354679651 /nfs/dbraw/zinc/67/96/51/354679651.db2.gz SCSQVSILILYZKX-ZWNOBZJWSA-N 1 0 308.338 1.422 20 5 DDBDRO Cn1c2cc(NCC(C)(C)[NH+](C)C)c([N+](=O)[O-])cc2n(C)c1=O ZINC000585702487 354829150 /nfs/dbraw/zinc/82/91/50/354829150.db2.gz VDEHBJARHOHLGM-UHFFFAOYSA-N 1 0 321.381 1.537 20 5 DDBDRO Cc1ccsc1[C@H](CO)[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000494628039 235063562 /nfs/dbraw/zinc/06/35/62/235063562.db2.gz AHBJHBCUQXAKHZ-LBPRGKRZSA-N 1 0 323.374 1.450 20 5 DDBDRO C[C@@H]1CN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@H](C)[N@H+]1C ZINC000590378026 355078345 /nfs/dbraw/zinc/07/83/45/355078345.db2.gz VVZIYLSVXJZCSF-TXEJJXNPSA-N 1 0 321.377 1.890 20 5 DDBDRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000591348234 355294449 /nfs/dbraw/zinc/29/44/49/355294449.db2.gz GBZBDRLIDFUBLC-GXTWGEPZSA-N 1 0 306.366 1.912 20 5 DDBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)NCC[NH2+]C1CC1 ZINC000591352779 355296569 /nfs/dbraw/zinc/29/65/69/355296569.db2.gz PXEXAGOUTLZRMT-UHFFFAOYSA-N 1 0 320.393 1.969 20 5 DDBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000591356133 355297686 /nfs/dbraw/zinc/29/76/86/355297686.db2.gz TUTHJTYHDCGFHM-DZGCQCFKSA-N 1 0 318.377 1.531 20 5 DDBDRO COC(=O)c1cc(C)nc(N2CC[C@H]3CC[NH2+][C@@H]3C2)c1[N+](=O)[O-] ZINC000591437272 355310312 /nfs/dbraw/zinc/31/03/12/355310312.db2.gz FTCQCVQNZKYJAU-ZYHUDNBSSA-N 1 0 320.349 1.273 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000591448719 355314463 /nfs/dbraw/zinc/31/44/63/355314463.db2.gz OUEKGDCHTJMEOP-SWLSCSKDSA-N 1 0 318.377 1.526 20 5 DDBDRO C[NH+](C)C1CCC(Nc2cc(N)c([N+](=O)[O-])c(CO)c2)CC1 ZINC000591464338 355316995 /nfs/dbraw/zinc/31/69/95/355316995.db2.gz IUWVGWKGWZOMDD-UHFFFAOYSA-N 1 0 308.382 1.954 20 5 DDBDRO CON1CCC([NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000591504123 355322052 /nfs/dbraw/zinc/32/20/52/355322052.db2.gz MINMBJKHVCTHPI-UHFFFAOYSA-N 1 0 323.349 1.481 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC000591534394 355324514 /nfs/dbraw/zinc/32/45/14/355324514.db2.gz AHTTUCVQQBOUDM-WFASDCNBSA-N 1 0 303.362 1.988 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000591288798 355280095 /nfs/dbraw/zinc/28/00/95/355280095.db2.gz PBGDYSAVWUEUEM-WCQYABFASA-N 1 0 322.365 1.792 20 5 DDBDRO CO[C@H](C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000591722886 355370945 /nfs/dbraw/zinc/37/09/45/355370945.db2.gz AOJFGLCJMMEANI-HUUCEWRRSA-N 1 0 320.349 1.130 20 5 DDBDRO Cc1cc(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])[nH]n1 ZINC000591740902 355375349 /nfs/dbraw/zinc/37/53/49/355375349.db2.gz FKQQBZQEAOATPX-UHFFFAOYSA-N 1 0 303.322 1.745 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CCn1cccc1 ZINC000591745488 355376481 /nfs/dbraw/zinc/37/64/81/355376481.db2.gz CIZOBULGDMDFAS-ZDUSSCGKSA-N 1 0 305.334 1.426 20 5 DDBDRO O=C(NC[C@H]1CCCC[NH2+]1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000591677881 355359991 /nfs/dbraw/zinc/35/99/91/355359991.db2.gz WNZUSNXHZQAXES-SNVBAGLBSA-N 1 0 321.333 1.238 20 5 DDBDRO COc1cccc(C(=O)N[C@@H]2[C@H](C)CC[NH2+][C@@H]2C)c1[N+](=O)[O-] ZINC000591684121 355361870 /nfs/dbraw/zinc/36/18/70/355361870.db2.gz CZHHOWHAKIXUKS-GIPNMCIBSA-N 1 0 307.350 1.720 20 5 DDBDRO COc1cccc(C(=O)N2CC[NH2+][C@@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000592248242 355546634 /nfs/dbraw/zinc/54/66/34/355546634.db2.gz XAXWQQNNUNTBOO-GFCCVEGCSA-N 1 0 307.350 1.673 20 5 DDBDRO C[C@@H]([NH3+])CNC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000592333590 355561868 /nfs/dbraw/zinc/56/18/68/355561868.db2.gz KYENCCPSUIIWCY-NWDGAFQWSA-N 1 0 320.393 1.908 20 5 DDBDRO C[C@@H](CCC[NH3+])NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000592337146 355561914 /nfs/dbraw/zinc/56/19/14/355561914.db2.gz GJRBVEOHVKOVTQ-VIFPVBQESA-N 1 0 318.333 1.706 20 5 DDBDRO C[C@@H]([NH3+])[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000592309474 355557275 /nfs/dbraw/zinc/55/72/75/355557275.db2.gz RCTXGXZUIJONHU-PRHODGIISA-N 1 0 313.741 1.436 20 5 DDBDRO CC1(C)C[NH2+]CCN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000592473589 355592565 /nfs/dbraw/zinc/59/25/65/355592565.db2.gz DNZPFVJMAFNLCN-UHFFFAOYSA-N 1 0 306.366 1.607 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N(C)CCC[NH3+] ZINC000592473923 355593514 /nfs/dbraw/zinc/59/35/14/355593514.db2.gz VJYOMGHNPMPSQJ-JTQLQIEISA-N 1 0 310.354 1.211 20 5 DDBDRO COC(=O)[C@@H]1C[C@@H](O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000592530722 355616057 /nfs/dbraw/zinc/61/60/57/355616057.db2.gz GILQIQUMOGUKBD-TZMCWYRMSA-N 1 0 308.334 1.259 20 5 DDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CCC[NH2+]CC2)s1 ZINC000592386821 355572941 /nfs/dbraw/zinc/57/29/41/355572941.db2.gz ADYGKIRUNGDTPM-MRVPVSSYSA-N 1 0 305.381 1.077 20 5 DDBDRO O=C(Cn1cc([N+](=O)[O-])cn1)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592555310 355627310 /nfs/dbraw/zinc/62/73/10/355627310.db2.gz XALJZNUKQPKQJG-OLZOCXBDSA-N 1 0 321.381 1.030 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@H]2CCOC[C@@H]2C)c1 ZINC000593027062 355773278 /nfs/dbraw/zinc/77/32/78/355773278.db2.gz JTVRXGGLSDGBCD-GWCFXTLKSA-N 1 0 308.334 1.896 20 5 DDBDRO CN(C(=O)Cc1ccc(F)cc1[N+](=O)[O-])[C@H]1CCC[N@H+](C)C1 ZINC000593070124 355786433 /nfs/dbraw/zinc/78/64/33/355786433.db2.gz QEOYVGDPXCAEGZ-ZDUSSCGKSA-N 1 0 309.341 1.829 20 5 DDBDRO C[C@@H](CO)C1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000593080812 355788595 /nfs/dbraw/zinc/78/85/95/355788595.db2.gz FMYUJZFDCSVLNG-LBPRGKRZSA-N 1 0 309.366 1.097 20 5 DDBDRO C[N@@H+]1CCN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])C(C)(C)C1 ZINC000593111191 355802669 /nfs/dbraw/zinc/80/26/69/355802669.db2.gz GJIGNEJKEUTLMD-UHFFFAOYSA-N 1 0 309.341 1.829 20 5 DDBDRO O=c1[nH]ccc2c1C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC2 ZINC000276961389 213204736 /nfs/dbraw/zinc/20/47/36/213204736.db2.gz PZAIOZWXQXMZAQ-OAHLLOKOSA-N 1 0 315.329 1.787 20 5 DDBDRO COCCN1CCN(C(=O)c2cc([N+](=O)[O-])cn2C)C(C)(C)C1 ZINC000593339082 355857674 /nfs/dbraw/zinc/85/76/74/355857674.db2.gz OCDXLWAFMSHAGH-UHFFFAOYSA-N 1 0 324.381 1.116 20 5 DDBDRO CNC(=O)c1ccc(N(C)CC[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000593517432 355910859 /nfs/dbraw/zinc/91/08/59/355910859.db2.gz UNUCXGWWKBKXNZ-UHFFFAOYSA-N 1 0 320.393 1.877 20 5 DDBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2C[C@@H](C(N)=O)C2)cc1[N+](=O)[O-] ZINC000593723953 355977104 /nfs/dbraw/zinc/97/71/04/355977104.db2.gz VPEJANURLUQSIL-ZMLRMANQSA-N 1 0 307.350 1.908 20 5 DDBDRO CCO[C@@H]1CN(CCOc2ccccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000593736539 355980870 /nfs/dbraw/zinc/98/08/70/355980870.db2.gz ATYDZNWQPFDTNV-IUODEOHRSA-N 1 0 309.366 1.269 20 5 DDBDRO Cc1nn(C)c(C(=O)N2CC[NH2+]C3(CCCCC3)C2)c1[N+](=O)[O-] ZINC000594628973 356269190 /nfs/dbraw/zinc/26/91/90/356269190.db2.gz SCIJJYFABVYTKV-UHFFFAOYSA-N 1 0 321.381 1.385 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000595221660 356411697 /nfs/dbraw/zinc/41/16/97/356411697.db2.gz CVOHOEIMFQVDDJ-CYBMUJFWSA-N 1 0 320.393 1.785 20 5 DDBDRO Cc1noc(CN2CCC[N@H+](C[C@H]3CCCO3)CC2)c1[N+](=O)[O-] ZINC000595299526 356439527 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1.890 20 5 DDBDRO O=[N+]([O-])c1cc(F)ccc1CN1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000595865086 356683992 /nfs/dbraw/zinc/68/39/92/356683992.db2.gz ZAQMHISDEYMVAP-HNNXBMFYSA-N 1 0 323.368 1.765 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N(C)CC(C)(C)[NH3+] ZINC000595904074 356699120 /nfs/dbraw/zinc/69/91/20/356699120.db2.gz YIPTXVHJVBYREO-SNVBAGLBSA-N 1 0 324.381 1.600 20 5 DDBDRO CC(C)([NH3+])c1cc(C(=O)NCc2ccccc2[N+](=O)[O-])on1 ZINC000595926008 356707032 /nfs/dbraw/zinc/70/70/32/356707032.db2.gz ZZTNYBUHSZCFGV-UHFFFAOYSA-N 1 0 304.306 1.707 20 5 DDBDRO CCSC1(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000596067264 356760370 /nfs/dbraw/zinc/76/03/70/356760370.db2.gz YGDKVWPHYLADEN-LLVKDONJSA-N 1 0 300.384 1.028 20 5 DDBDRO COCC[N@H+](C)CCCNc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596074332 356762429 /nfs/dbraw/zinc/76/24/29/356762429.db2.gz RATPAFLIMLQSBE-UHFFFAOYSA-N 1 0 310.354 1.074 20 5 DDBDRO O=c1[nH]ccc(N2CCC[N@H+](C[C@H]3CCCO3)CC2)c1[N+](=O)[O-] ZINC000596079016 356765076 /nfs/dbraw/zinc/76/50/76/356765076.db2.gz ZEDDSIXNIWOHFW-GFCCVEGCSA-N 1 0 322.365 1.387 20 5 DDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCOCCF)n1 ZINC000596093458 356769982 /nfs/dbraw/zinc/76/99/82/356769982.db2.gz FCVHKUSAYBKTHY-NWDGAFQWSA-N 1 0 300.334 1.851 20 5 DDBDRO C[C@@H](Nc1ccc([N+](=O)[O-])c(C(N)=O)c1)C1=CC[N@H+](C)CC1 ZINC000596186505 356806129 /nfs/dbraw/zinc/80/61/29/356806129.db2.gz LILQSWMSGICHFX-SNVBAGLBSA-N 1 0 304.350 1.756 20 5 DDBDRO C[NH+]1CCC(C)(CNc2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000596188161 356806132 /nfs/dbraw/zinc/80/61/32/356806132.db2.gz CQEZJCOOCJXOSS-UHFFFAOYSA-N 1 0 306.366 1.838 20 5 DDBDRO Nc1ccc(N2CCC([N@@H+]3CCCOCC3)CC2)nc1[N+](=O)[O-] ZINC000596269340 356838928 /nfs/dbraw/zinc/83/89/28/356838928.db2.gz RNUNSSMMWLQIJH-UHFFFAOYSA-N 1 0 321.381 1.263 20 5 DDBDRO COc1ccc(NC(=O)N(C)CC2C[NH+](C)C2)cc1[N+](=O)[O-] ZINC000596832743 356989880 /nfs/dbraw/zinc/98/98/80/356989880.db2.gz SVWAIYXPWFCYOF-UHFFFAOYSA-N 1 0 308.338 1.629 20 5 DDBDRO C[C@H]1COCC[N@@H+]1C1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000597680587 357282339 /nfs/dbraw/zinc/28/23/39/357282339.db2.gz WYNCABKWTXFAGG-NSHDSACASA-N 1 0 322.365 1.248 20 5 DDBDRO O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CC[N@@H+]2CC[C@H]1C2 ZINC000597708740 357296578 /nfs/dbraw/zinc/29/65/78/357296578.db2.gz QKPDHOCDJWEONA-SOUVJXGZSA-N 1 0 301.346 1.615 20 5 DDBDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000598265355 357513988 /nfs/dbraw/zinc/51/39/88/357513988.db2.gz SKVCDCQPRXQYPI-LBPRGKRZSA-N 1 0 306.366 1.840 20 5 DDBDRO Cc1c(C(=O)NC[C@@H]2CCC[NH2+]2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000178763456 198926495 /nfs/dbraw/zinc/92/64/95/198926495.db2.gz WNWTYLSGQFKCLR-VIFPVBQESA-N 1 0 308.294 1.293 20 5 DDBDRO CNc1ccc(C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)cc1[N+](=O)[O-] ZINC000598669030 357678485 /nfs/dbraw/zinc/67/84/85/357678485.db2.gz GOSCEAMISQBDAO-XHDPSFHLSA-N 1 0 304.350 1.590 20 5 DDBDRO COC(=O)c1ccnc(N(C)CCC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000598625604 357660254 /nfs/dbraw/zinc/66/02/54/357660254.db2.gz QFFJNYCNVVPKMA-UHFFFAOYSA-N 1 0 322.365 1.699 20 5 DDBDRO C[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@@H]1CO ZINC000598645102 357667358 /nfs/dbraw/zinc/66/73/58/357667358.db2.gz DOKXKCKRNLTKSL-BXUZGUMPSA-N 1 0 322.361 1.912 20 5 DDBDRO [NH3+][C@@]12CCC[C@H]1CN(S(=O)(=O)c1cccc([N+](=O)[O-])c1)C2 ZINC000598723234 357704341 /nfs/dbraw/zinc/70/43/41/357704341.db2.gz FOKJBWJVNIYMOW-GXFFZTMASA-N 1 0 311.363 1.097 20 5 DDBDRO CNC(=O)C(C)(C)C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000331002867 283280688 /nfs/dbraw/zinc/28/06/88/283280688.db2.gz KLRQNQXEIJFRNC-NEPJUHHUSA-N 1 0 323.397 1.637 20 5 DDBDRO Cc1cc(S(=O)(=O)N[C@@H]2CC[NH2+][C@H]2C)c(C)cc1[N+](=O)[O-] ZINC000599111368 357818877 /nfs/dbraw/zinc/81/88/77/357818877.db2.gz IIFHLSZVAXSOJH-WDEREUQCSA-N 1 0 313.379 1.240 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[N@H+]2CC3(CCOCC3)CC[C@H]2CO)c1 ZINC000599544294 357967576 /nfs/dbraw/zinc/96/75/76/357967576.db2.gz ZKAOVJMAYWXBGC-ZDUSSCGKSA-N 1 0 324.381 1.045 20 5 DDBDRO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC1(C)COC1 ZINC000599571976 357979674 /nfs/dbraw/zinc/97/96/74/357979674.db2.gz ZCCKYLTXPDUSBQ-UHFFFAOYSA-N 1 0 307.350 1.892 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NCC1([NH3+])CCOCC1 ZINC000599589825 357984802 /nfs/dbraw/zinc/98/48/02/357984802.db2.gz OGZGDUAWEFQPAP-UHFFFAOYSA-N 1 0 324.337 1.233 20 5 DDBDRO C[C@@H]1CC[C@@H](NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)C[NH2+]1 ZINC000599932864 358084668 /nfs/dbraw/zinc/08/46/68/358084668.db2.gz CJHMKQWQKWEQEE-TZMCWYRMSA-N 1 0 320.393 1.919 20 5 DDBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cnn[nH]1 ZINC000600176530 358147383 /nfs/dbraw/zinc/14/73/83/358147383.db2.gz IVXOAGDLPYJVDX-VIFPVBQESA-N 1 0 304.310 1.220 20 5 DDBDRO CCN(CC[NH3+])[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000600716792 358293734 /nfs/dbraw/zinc/29/37/34/358293734.db2.gz MJOHTQUZJFBAQM-SNVBAGLBSA-N 1 0 310.354 1.211 20 5 DDBDRO CN(CCOCC[NH3+])Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000600778428 358313936 /nfs/dbraw/zinc/31/39/36/358313936.db2.gz ZBCAQBZVKWWOES-UHFFFAOYSA-N 1 0 319.308 1.603 20 5 DDBDRO C[NH+](C)CCN1CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000600965576 358361003 /nfs/dbraw/zinc/36/10/03/358361003.db2.gz SJMBWWXIWRYBQN-UHFFFAOYSA-N 1 0 324.356 1.053 20 5 DDBDRO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000601106808 358404402 /nfs/dbraw/zinc/40/44/02/358404402.db2.gz XJKCFOBKNLTYQJ-KNVOCYPGSA-N 1 0 305.260 1.003 20 5 DDBDRO CC[C@@H]1C[N@H+](C)CCCN1c1ccc(C(=O)NC)cc1[N+](=O)[O-] ZINC000601192549 358440627 /nfs/dbraw/zinc/44/06/27/358440627.db2.gz WRZFDEIKWGJSEF-CYBMUJFWSA-N 1 0 320.393 1.875 20 5 DDBDRO CNC(=O)c1ccc(N2CC([NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000601193766 358441222 /nfs/dbraw/zinc/44/12/22/358441222.db2.gz OTHXSRWYERAVNB-UHFFFAOYSA-N 1 0 304.350 1.239 20 5 DDBDRO C[N@@H+]1CCN(c2ccc([N+](=O)[O-])c3cnccc32)[C@H](CO)C1 ZINC000601979433 358763670 /nfs/dbraw/zinc/76/36/70/358763670.db2.gz FZAVYLXSIBOFLA-NSHDSACASA-N 1 0 302.334 1.256 20 5 DDBDRO Cc1cc(N2CCC(OCC[NH+](C)C)CC2)ncc1[N+](=O)[O-] ZINC000348171973 283401619 /nfs/dbraw/zinc/40/16/19/283401619.db2.gz WYFHJIDHGABCMM-UHFFFAOYSA-N 1 0 308.382 1.845 20 5 DDBDRO CC(C)N(C)CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602527263 359027369 /nfs/dbraw/zinc/02/73/69/359027369.db2.gz NPZYQDUBPGUTSL-UHFFFAOYSA-N 1 0 321.425 1.888 20 5 DDBDRO Cn1c(C(=O)Nc2ccc3c(c2)OCC[NH2+]C3)ccc1[N+](=O)[O-] ZINC000602551293 359040535 /nfs/dbraw/zinc/04/05/35/359040535.db2.gz HSMRUVSHWITSGD-UHFFFAOYSA-N 1 0 316.317 1.668 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@@H]3CCC[C@H]3O)CC2)cn1 ZINC000602558447 359044945 /nfs/dbraw/zinc/04/49/45/359044945.db2.gz AJPVUORMHWKOLY-SWLSCSKDSA-N 1 0 320.393 1.709 20 5 DDBDRO CO[C@H]1C[NH2+][C@@](C)(C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000602446118 358981633 /nfs/dbraw/zinc/98/16/33/358981633.db2.gz UTBTUGBMMOZEPQ-UKRRQHHQSA-N 1 0 307.350 1.021 20 5 DDBDRO CO[C@]1(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)CCOC1 ZINC000602641988 359093307 /nfs/dbraw/zinc/09/33/07/359093307.db2.gz WTTWDSVEBIBMOW-AWEZNQCLSA-N 1 0 310.354 1.234 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+](CCO)CCc1ccccc1 ZINC000602786169 359189930 /nfs/dbraw/zinc/18/99/30/359189930.db2.gz OKDTYORWMVEMKQ-UHFFFAOYSA-N 1 0 318.377 1.637 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]3CCCC[C@H]3O)CC2)cn1 ZINC000602751055 359169081 /nfs/dbraw/zinc/16/90/81/359169081.db2.gz LMYOFRXIUDOZDE-LSDHHAIUSA-N 1 0 320.393 1.852 20 5 DDBDRO COC(=O)C1C[C@@H](C)[NH+](CCn2c(C)ncc2[N+](=O)[O-])[C@H](C)C1 ZINC000602915308 359291695 /nfs/dbraw/zinc/29/16/95/359291695.db2.gz AIFPATSDKNWKKY-GHMZBOCLSA-N 1 0 324.381 1.762 20 5 DDBDRO Cc1cncc([N+](=O)[O-])c1NC(=O)N(C)CCC[NH+]1CCCC1 ZINC000602951162 359316487 /nfs/dbraw/zinc/31/64/87/359316487.db2.gz HCZBDQRZKCBUFA-UHFFFAOYSA-N 1 0 321.381 1.670 20 5 DDBDRO Cc1cncc([N+](=O)[O-])c1NC(=O)N1CC[NH+](CC2CC2)CC1 ZINC000602958935 359322297 /nfs/dbraw/zinc/32/22/97/359322297.db2.gz RCLRLPCOLPQPBG-UHFFFAOYSA-N 1 0 319.365 1.280 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@H](O)[C@H]2CCCC[C@@H]21 ZINC000602997844 359346807 /nfs/dbraw/zinc/34/68/07/359346807.db2.gz RXEPSEKECZRDHI-KKUMJFAQSA-N 1 0 321.377 1.382 20 5 DDBDRO O=[N+]([O-])c1ccc(CCn2cc(C[C@H]3CC[NH2+]C3)nn2)cc1 ZINC000603199207 359474649 /nfs/dbraw/zinc/47/46/49/359474649.db2.gz WDHWSWADQYKJNU-CYBMUJFWSA-N 1 0 301.350 1.581 20 5 DDBDRO O=[N+]([O-])c1cc(F)ccc1Cn1cc(C[C@H]2CC[NH2+]C2)nn1 ZINC000603224228 359496339 /nfs/dbraw/zinc/49/63/39/359496339.db2.gz NYQDQTLKXREFKE-SNVBAGLBSA-N 1 0 305.313 1.526 20 5 DDBDRO COc1cc(OCC(=O)N[C@H]2C[NH2+]CC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000186811287 200015451 /nfs/dbraw/zinc/01/54/51/200015451.db2.gz VSOVXZPXAQWRSY-JQWIXIFHSA-N 1 0 323.349 1.096 20 5 DDBDRO C[C@@H]1COCC[N@@H+]1C1CCN(c2ccncc2[N+](=O)[O-])CC1 ZINC000603400392 359616452 /nfs/dbraw/zinc/61/64/52/359616452.db2.gz HLLCJWDUHKEZBL-GFCCVEGCSA-N 1 0 306.366 1.679 20 5 DDBDRO C[C@@H](O)C[N@@H+]1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000186955033 200038139 /nfs/dbraw/zinc/03/81/39/200038139.db2.gz VCEOYVBCGKHQMJ-CHWSQXEVSA-N 1 0 321.377 1.051 20 5 DDBDRO C[C@@](C[NH3+])(NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000237638910 202313313 /nfs/dbraw/zinc/31/33/13/202313313.db2.gz PTNGKAQLVAAWBN-AWEZNQCLSA-N 1 0 303.322 1.328 20 5 DDBDRO CN(C)C(=O)CCC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000618566841 363676180 /nfs/dbraw/zinc/67/61/80/363676180.db2.gz HJTMZXDEGJNIRU-QWHCGFSZSA-N 1 0 323.397 1.733 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCCn2ccnc2)c1 ZINC000281163118 216123004 /nfs/dbraw/zinc/12/30/04/216123004.db2.gz IJFDCLZEKKFNQG-UHFFFAOYSA-N 1 0 318.333 1.685 20 5 DDBDRO CN(CCCC[NH+](C)C)C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000610473663 360444430 /nfs/dbraw/zinc/44/44/30/360444430.db2.gz WWANKIIZFRUDMT-UHFFFAOYSA-N 1 0 322.409 1.831 20 5 DDBDRO O=C1[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CCN1C1CCOCC1 ZINC000610479557 360445760 /nfs/dbraw/zinc/44/57/60/360445760.db2.gz BCOAASGPVSKPFH-OAHLLOKOSA-N 1 0 319.361 1.464 20 5 DDBDRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000611512044 360742008 /nfs/dbraw/zinc/74/20/08/360742008.db2.gz YACOOVGFGPIIHO-JTQLQIEISA-N 1 0 319.317 1.290 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+](CCCO)C1CC1 ZINC000612077641 360911883 /nfs/dbraw/zinc/91/18/83/360911883.db2.gz FYNUEMOPHGSLKS-ZDUSSCGKSA-N 1 0 310.350 1.181 20 5 DDBDRO O=C1CCC[C@@H](C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)N1 ZINC000618970430 363822231 /nfs/dbraw/zinc/82/22/31/363822231.db2.gz UYAAEXDWHGFXMU-NSHDSACASA-N 1 0 321.333 1.124 20 5 DDBDRO CC1=CC[N@H+](CCNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC1 ZINC000349976893 284124720 /nfs/dbraw/zinc/12/47/20/284124720.db2.gz XOZLZBKCEWBSPV-UHFFFAOYSA-N 1 0 306.322 1.077 20 5 DDBDRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000262607304 203347964 /nfs/dbraw/zinc/34/79/64/203347964.db2.gz CCTDCWIKBSAMRH-QWHCGFSZSA-N 1 0 321.377 1.997 20 5 DDBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000293399290 223522359 /nfs/dbraw/zinc/52/23/59/223522359.db2.gz MHVPSGUIQWWEOP-STQMWFEESA-N 1 0 319.361 1.574 20 5 DDBDRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000274889851 212012056 /nfs/dbraw/zinc/01/20/56/212012056.db2.gz JEEWLVYOPVNILK-JTNHKYCSSA-N 1 0 310.350 1.806 20 5 DDBDRO C[C@]1(CO)CCC[C@H]1[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000351496145 284344485 /nfs/dbraw/zinc/34/44/85/284344485.db2.gz SFQNDULBYGUKCK-NUEKZKHPSA-N 1 0 324.377 1.475 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000288543744 220221558 /nfs/dbraw/zinc/22/15/58/220221558.db2.gz AMOCUBGZWRARJR-JOCQHMNTSA-N 1 0 323.397 1.371 20 5 DDBDRO C[NH2+][C@H](C)CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000283471166 217629868 /nfs/dbraw/zinc/62/98/68/217629868.db2.gz SKTTZPQBUGDZCN-LLVKDONJSA-N 1 0 306.366 1.533 20 5 DDBDRO COc1ccc(C[NH2+][C@H](C)[C@H](CO)SC)cc1[N+](=O)[O-] ZINC000152490218 248297049 /nfs/dbraw/zinc/29/70/49/248297049.db2.gz FMZUKHWXHQVROQ-RNCFNFMXSA-N 1 0 300.380 1.805 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000285090684 218286654 /nfs/dbraw/zinc/28/66/54/218286654.db2.gz DMCBIJLQIVNOMV-CABCVRRESA-N 1 0 319.361 1.448 20 5 DDBDRO Cc1ccc(S(=O)(=O)NCC[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000110797550 194359115 /nfs/dbraw/zinc/35/91/15/194359115.db2.gz WQDZFQXOEKVGQP-LLVKDONJSA-N 1 0 313.379 1.181 20 5 DDBDRO COC(=O)c1cc(C)nc(NCC(C)(C)[NH+](C)C)c1[N+](=O)[O-] ZINC000285683607 218580187 /nfs/dbraw/zinc/58/01/87/218580187.db2.gz QELMPUVPNSPHOJ-UHFFFAOYSA-N 1 0 310.354 1.837 20 5 DDBDRO CN(CC[NH+](C)C)c1ncc(Br)cc1[N+](=O)[O-] ZINC000111150413 194396505 /nfs/dbraw/zinc/39/65/05/194396505.db2.gz ORSNJIZMORXGFF-UHFFFAOYSA-N 1 0 303.160 1.750 20 5 DDBDRO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CC[C@@H]1[NH3+] ZINC000269189888 207310160 /nfs/dbraw/zinc/31/01/60/207310160.db2.gz GWLGQBVHGRQXSL-MFKMUULPSA-N 1 0 306.366 1.470 20 5 DDBDRO CC[N@H+](C)CCNS(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000119969190 195071982 /nfs/dbraw/zinc/07/19/82/195071982.db2.gz JKZDFLFYUMMLKC-UHFFFAOYSA-N 1 0 315.395 1.442 20 5 DDBDRO CNc1nc(C(=O)NCCCC[N@H+](C)C2CC2)ccc1[N+](=O)[O-] ZINC000457170185 533076103 /nfs/dbraw/zinc/07/61/03/533076103.db2.gz FYXCQSPBIMPDCO-UHFFFAOYSA-N 1 0 321.381 1.636 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N(C)C1CC[NH2+]CC1 ZINC000417192764 533220639 /nfs/dbraw/zinc/22/06/39/533220639.db2.gz KQEXQYSFSLJFGD-UHFFFAOYSA-N 1 0 322.365 1.497 20 5 DDBDRO Cn1ncc(Cl)c1CN(CC[NH3+])c1ccccc1[N+](=O)[O-] ZINC000289829043 221253772 /nfs/dbraw/zinc/25/37/72/221253772.db2.gz ONFUHZAORMOULI-UHFFFAOYSA-N 1 0 309.757 1.947 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000414658325 533225766 /nfs/dbraw/zinc/22/57/66/533225766.db2.gz QKBJOBFKUSNUBI-OAHLLOKOSA-N 1 0 320.349 1.821 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000414662166 533225940 /nfs/dbraw/zinc/22/59/40/533225940.db2.gz YXQOWFLMDDSZPP-ZYHUDNBSSA-N 1 0 320.349 1.819 20 5 DDBDRO COc1cc(C[NH2+]CCc2nnc(C)s2)c([N+](=O)[O-])cc1O ZINC000290022950 221386762 /nfs/dbraw/zinc/38/67/62/221386762.db2.gz ZTWISENIYBHGNZ-UHFFFAOYSA-N 1 0 324.362 1.801 20 5 DDBDRO C[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(C)CC1 ZINC000121848977 195360642 /nfs/dbraw/zinc/36/06/42/195360642.db2.gz DWVAZBZPNKPVMU-CYBMUJFWSA-N 1 0 320.393 1.208 20 5 DDBDRO CCN1CC[NH+](C[C@@H](C)CNc2nc(C)ccc2[N+](=O)[O-])CC1 ZINC000121624880 195320017 /nfs/dbraw/zinc/32/00/17/195320017.db2.gz BFVHPNCNYMQYKK-ZDUSSCGKSA-N 1 0 321.425 1.984 20 5 DDBDRO CC[NH+](CC)[C@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])c1ccco1 ZINC000122437649 195451618 /nfs/dbraw/zinc/45/16/18/195451618.db2.gz KLZKWGXSGNUWAT-SNVBAGLBSA-N 1 0 321.337 1.724 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCCOCC[NH+](C)C ZINC000352899884 285373684 /nfs/dbraw/zinc/37/36/84/285373684.db2.gz GVRNPYAKLDDHOO-UHFFFAOYSA-N 1 0 324.381 1.911 20 5 DDBDRO C[C@@H]([NH2+]C[C@H](O)C1CCOCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294686972 533430924 /nfs/dbraw/zinc/43/09/24/533430924.db2.gz IJQJHJDDHTTYCH-BMIGLBTASA-N 1 0 309.366 1.615 20 5 DDBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)NC(=O)NC1CC1 ZINC000296679995 533505249 /nfs/dbraw/zinc/50/52/49/533505249.db2.gz IBSHEZVWIQPDEI-VHSXEESVSA-N 1 0 320.349 1.622 20 5 DDBDRO Cc1n[nH]c(C(=O)N(CC[NH+](C)C)C2CCCC2)c1[N+](=O)[O-] ZINC000330741297 533658496 /nfs/dbraw/zinc/65/84/96/533658496.db2.gz RQWBTAPZQOPWCK-UHFFFAOYSA-N 1 0 309.370 1.573 20 5 DDBDRO Cc1n[nH]c(C(=O)NC2CC[NH+](CC(C)C)CC2)c1[N+](=O)[O-] ZINC000299530230 533663106 /nfs/dbraw/zinc/66/31/06/533663106.db2.gz DPJJRWRFKOGNLW-UHFFFAOYSA-N 1 0 309.370 1.477 20 5 DDBDRO Cc1ccc(C[NH2+][C@H](C)C2(S(C)(=O)=O)CC2)cc1[N+](=O)[O-] ZINC000353035902 285472779 /nfs/dbraw/zinc/47/27/79/285472779.db2.gz PRXIVEOLPJPGQO-LLVKDONJSA-N 1 0 312.391 1.959 20 5 DDBDRO CCO[C@@H]1C[C@H]1[NH2+]Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000568588004 304299817 /nfs/dbraw/zinc/29/98/17/304299817.db2.gz FRRGOUAWZDBFKN-BXUZGUMPSA-N 1 0 324.333 1.414 20 5 DDBDRO Cc1ccc(S(=O)(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)cc1[N+](=O)[O-] ZINC000086468902 292178924 /nfs/dbraw/zinc/17/89/24/292178924.db2.gz NBGFUDNWZRUNMA-MNOVXSKESA-N 1 0 313.379 1.274 20 5 DDBDRO COc1cc(C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000261646971 407565379 /nfs/dbraw/zinc/56/53/79/407565379.db2.gz FLQUDRKRDDTFRQ-YNEHKIRRSA-N 1 0 319.361 1.803 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000070120760 406808807 /nfs/dbraw/zinc/80/88/07/406808807.db2.gz IZBCTLDMPKVDTF-LLVKDONJSA-N 1 0 313.379 1.324 20 5 DDBDRO C[NH+](C)CC(C)(C)CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000074441969 406912748 /nfs/dbraw/zinc/91/27/48/406912748.db2.gz UVDMVQMTCJRCEY-UHFFFAOYSA-N 1 0 319.365 1.789 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCC1CC[NH2+]CC1 ZINC000044509074 407024980 /nfs/dbraw/zinc/02/49/80/407024980.db2.gz VRIXPOZOKPFRLO-UHFFFAOYSA-N 1 0 313.379 1.181 20 5 DDBDRO C[NH2+][C@H]1CCCN(S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])C1 ZINC000053203111 407165433 /nfs/dbraw/zinc/16/54/33/407165433.db2.gz JKDDUQLLODIWAF-NSHDSACASA-N 1 0 313.379 1.276 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(C)CC(C)(C)C[NH3+] ZINC000093873652 407203126 /nfs/dbraw/zinc/20/31/26/407203126.db2.gz VMEJWRXNFQMDPN-UHFFFAOYSA-N 1 0 315.395 1.509 20 5 DDBDRO CC1CC[NH+](CCNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC1 ZINC000102332032 407321452 /nfs/dbraw/zinc/32/14/52/407321452.db2.gz VYVADPICJXMREA-UHFFFAOYSA-N 1 0 323.397 1.375 20 5 DDBDRO CC[N@H+](CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)C(C)C ZINC000102897104 407328506 /nfs/dbraw/zinc/32/85/06/407328506.db2.gz WVQNTRQKHNBNAT-UHFFFAOYSA-N 1 0 312.345 1.776 20 5 DDBDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000123713652 407336931 /nfs/dbraw/zinc/33/69/31/407336931.db2.gz HUUXPAMJXZTEMC-ZDUSSCGKSA-N 1 0 320.393 1.997 20 5 DDBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]CC2(O)CCOCC2)c1 ZINC000112717350 407437388 /nfs/dbraw/zinc/43/73/88/407437388.db2.gz SVPVIAXQZGJVGE-UHFFFAOYSA-N 1 0 300.742 1.879 20 5 DDBDRO CCc1n[nH]c(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c1[N+](=O)[O-] ZINC000185774960 407499331 /nfs/dbraw/zinc/49/93/31/407499331.db2.gz AQKWFDRVPVZNHT-ZJUUUORDSA-N 1 0 307.354 1.189 20 5 DDBDRO Nc1ccc(C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000127753421 407460920 /nfs/dbraw/zinc/46/09/20/407460920.db2.gz SOZGYOBZLQJOFL-LBPRGKRZSA-N 1 0 318.377 1.735 20 5 DDBDRO CN1CC[N@H+](C)C[C@@H]1CNCc1cc([N+](=O)[O-])ccc1Cl ZINC000225316914 407581362 /nfs/dbraw/zinc/58/13/62/407581362.db2.gz MEJMBFGNHDZNBO-ZDUSSCGKSA-N 1 0 312.801 1.584 20 5 DDBDRO CC(C)N(CC[NH+](C)C)C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000151862473 407516811 /nfs/dbraw/zinc/51/68/11/407516811.db2.gz FISAUNKFDLVKBK-UHFFFAOYSA-N 1 0 309.366 1.772 20 5 DDBDRO C[NH+](C)C[C@H]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000114147955 407544539 /nfs/dbraw/zinc/54/45/39/407544539.db2.gz ZDSNJBREOMASNH-SECBINFHSA-N 1 0 310.329 1.340 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)C[C@H]1CCOC1 ZINC000178760060 407591105 /nfs/dbraw/zinc/59/11/05/407591105.db2.gz FNNGOLQTRZYCFE-GFCCVEGCSA-N 1 0 307.350 1.810 20 5 DDBDRO COCC[N@H+](C)CCNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000171127661 407607560 /nfs/dbraw/zinc/60/75/60/407607560.db2.gz KCTUOGATBLIJHQ-UHFFFAOYSA-N 1 0 320.349 1.384 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+]C(C)(C)CC(N)=O ZINC000186217705 407609030 /nfs/dbraw/zinc/60/90/30/407609030.db2.gz QTOWCFXFCHFWCA-UHFFFAOYSA-N 1 0 308.338 1.085 20 5 DDBDRO C[C@H]([NH3+])C1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000178813085 407610372 /nfs/dbraw/zinc/61/03/72/407610372.db2.gz SPWHBWFJFFXNMH-LBPRGKRZSA-N 1 0 320.393 1.983 20 5 DDBDRO CC(C)[NH+]1CCC(NC(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000171162418 407614856 /nfs/dbraw/zinc/61/48/56/407614856.db2.gz ACCFDORYOZKJMT-UHFFFAOYSA-N 1 0 306.366 1.780 20 5 DDBDRO [NH3+][C@@H]1CCC[C@H]1CC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000261938878 407682108 /nfs/dbraw/zinc/68/21/08/407682108.db2.gz DBPSNZXDLSSBDU-SMDDNHRTSA-N 1 0 306.366 1.640 20 5 DDBDRO O=C(COc1ccccc1[N+](=O)[O-])N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186496296 407682046 /nfs/dbraw/zinc/68/20/46/407682046.db2.gz VCKZWZSVOKSIML-LBPRGKRZSA-N 1 0 319.361 1.717 20 5 DDBDRO COc1ccc(NC(=O)CN2CC[C@](C)(C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000261901868 407663627 /nfs/dbraw/zinc/66/36/27/407663627.db2.gz WPZACWHGVZXYEA-OAHLLOKOSA-N 1 0 322.365 1.213 20 5 DDBDRO CC(C)C[C@@](C)(C[NH3+])NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000236668866 407745908 /nfs/dbraw/zinc/74/59/08/407745908.db2.gz KDMOOQSTLIZNDX-HNNXBMFYSA-N 1 0 309.366 1.853 20 5 DDBDRO CC(C)(CNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000186746342 407761431 /nfs/dbraw/zinc/76/14/31/407761431.db2.gz LULGUAFKJJFLKX-UHFFFAOYSA-N 1 0 322.365 1.690 20 5 DDBDRO C[NH+](C)[C@H]1CCC[C@@H](Nc2ncc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000267266622 407810877 /nfs/dbraw/zinc/81/08/77/407810877.db2.gz LKTGPDKAFMGZAF-ZJUUUORDSA-N 1 0 307.354 1.373 20 5 DDBDRO C[NH2+][C@@H]1CCCN(C(=O)COc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000133333696 407832141 /nfs/dbraw/zinc/83/21/41/407832141.db2.gz GNPDBFAAHTVMCT-LLVKDONJSA-N 1 0 323.349 1.193 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N(C)[C@H](C)C[NH3+])c1C ZINC000237654630 407835417 /nfs/dbraw/zinc/83/54/17/407835417.db2.gz MKXOQOCFHADPAL-SECBINFHSA-N 1 0 301.368 1.179 20 5 DDBDRO CC(C)(C[NH3+])NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000262543535 407863525 /nfs/dbraw/zinc/86/35/25/407863525.db2.gz IPRIIMPHSAGNNJ-UHFFFAOYSA-N 1 0 303.322 1.248 20 5 DDBDRO C[C@@H]1C[NH+](CCCCNC(=O)c2ccc([N+](=O)[O-])[nH]2)C[C@@H](C)O1 ZINC000268041059 407865115 /nfs/dbraw/zinc/86/51/15/407865115.db2.gz XZQXSYICSFBCFK-VXGBXAGGSA-N 1 0 324.381 1.542 20 5 DDBDRO C[NH+]1CCC(C)(CNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC1 ZINC000272493859 407947438 /nfs/dbraw/zinc/94/74/38/407947438.db2.gz FMKMPXGGROZBLU-UHFFFAOYSA-N 1 0 308.338 1.157 20 5 DDBDRO Cc1nn(CCC(=O)N[C@H]2CC[NH2+][C@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000262922785 407971413 /nfs/dbraw/zinc/97/14/13/407971413.db2.gz RWJUXQIAHWZZJQ-SKDRFNHKSA-N 1 0 309.370 1.055 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)NC[C@H]2CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000118494668 407920006 /nfs/dbraw/zinc/92/00/06/407920006.db2.gz WUBQLYLMQQJZNM-SNVBAGLBSA-N 1 0 322.321 1.493 20 5 DDBDRO Cn1ccnc1[C@@H](NCCC[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000272479925 407940216 /nfs/dbraw/zinc/94/02/16/407940216.db2.gz BYOPEGOBYXEFSE-HNNXBMFYSA-N 1 0 317.393 1.959 20 5 DDBDRO CC[N@@H+]1CC[C@@H](N(C)CCn2cc([N+](=O)[O-])ccc2=O)[C@@H](C)C1 ZINC000245603908 408026229 /nfs/dbraw/zinc/02/62/29/408026229.db2.gz XKLIMMWUUVNKCH-DZGCQCFKSA-N 1 0 322.409 1.419 20 5 DDBDRO C[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccc([S@@](C)=O)cc1 ZINC000273021385 408020739 /nfs/dbraw/zinc/02/07/39/408020739.db2.gz SDAHYZZNKSPAQE-RKFFSXRUSA-N 1 0 322.390 1.880 20 5 DDBDRO C[N@H+](CCOCc1ccccc1)CCn1ccc([N+](=O)[O-])n1 ZINC000154712611 408073467 /nfs/dbraw/zinc/07/34/67/408073467.db2.gz IMLNNEIAWXTKLB-UHFFFAOYSA-N 1 0 304.350 1.940 20 5 DDBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](CCOCC(F)F)C2)nc1 ZINC000189677552 408077155 /nfs/dbraw/zinc/07/71/55/408077155.db2.gz VBZSFNHBNMBFGS-SNVBAGLBSA-N 1 0 316.308 1.758 20 5 DDBDRO CNC(=O)CCC[N@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000154777049 408081345 /nfs/dbraw/zinc/08/13/45/408081345.db2.gz WMTGXZGOGRUMNE-LLVKDONJSA-N 1 0 322.365 1.380 20 5 DDBDRO C[C@@H]1CCC[C@@H](CO)[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000246258568 408194165 /nfs/dbraw/zinc/19/41/65/408194165.db2.gz KNVDZKVPTDSYKV-VHDGCEQUSA-N 1 0 324.377 1.570 20 5 DDBDRO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000182433706 408155658 /nfs/dbraw/zinc/15/56/58/408155658.db2.gz BTVMGJWGWAAJNK-GXTWGEPZSA-N 1 0 324.377 1.739 20 5 DDBDRO C[C@@H]1CC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)[C@@H]1CO ZINC000190440529 408246759 /nfs/dbraw/zinc/24/67/59/408246759.db2.gz MYQNXVSWHMYHLY-ZWNOBZJWSA-N 1 0 318.333 1.848 20 5 DDBDRO CC[C@@H](C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)[NH+](C)C ZINC000125263426 161868371 /nfs/dbraw/zinc/86/83/71/161868371.db2.gz FNHHSCWJWNPDRP-YPMHNXCESA-N 1 0 321.381 1.343 20 5 DDBDRO C[NH+](C)C[C@](C)(O)CNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000273471124 408213412 /nfs/dbraw/zinc/21/34/12/408213412.db2.gz OMTUQPHQFFJRPM-CYBMUJFWSA-N 1 0 314.317 1.168 20 5 DDBDRO COCC[N@H+](C)CCNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000263802368 408265467 /nfs/dbraw/zinc/26/54/67/408265467.db2.gz TVSKRFHXOWNMJH-UHFFFAOYSA-N 1 0 320.349 1.384 20 5 DDBDRO CC(C)C[C@](C)(C[NH3+])NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000155893256 408223607 /nfs/dbraw/zinc/22/36/07/408223607.db2.gz HWDZCCHUZCPUFJ-CYBMUJFWSA-N 1 0 315.395 1.637 20 5 DDBDRO CC[N@@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2OC)C1 ZINC000121516683 408229582 /nfs/dbraw/zinc/22/95/82/408229582.db2.gz QCZHVDCRFWLFDL-LLVKDONJSA-N 1 0 307.350 1.675 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NC[C@@H](C)[NH+](C)C ZINC000274246865 408339586 /nfs/dbraw/zinc/33/95/86/408339586.db2.gz HGNCKZDFZFIUMI-SNVBAGLBSA-N 1 0 322.365 1.216 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)c1[N+](=O)[O-] ZINC000269549186 408351648 /nfs/dbraw/zinc/35/16/48/408351648.db2.gz XJARPNMCFVNIPB-GHMZBOCLSA-N 1 0 323.397 1.854 20 5 DDBDRO O=C([C@H]1CCC[NH2+]C1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000169185809 162183530 /nfs/dbraw/zinc/18/35/30/162183530.db2.gz IMOWFAPTZKIDFF-NWDGAFQWSA-N 1 0 319.365 1.002 20 5 DDBDRO O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000170736942 162190050 /nfs/dbraw/zinc/19/00/50/162190050.db2.gz LWHXJQOHLWBHPU-JTQLQIEISA-N 1 0 306.322 1.006 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000171576074 162225837 /nfs/dbraw/zinc/22/58/37/162225837.db2.gz XCLUQTDWERMZDV-UHFFFAOYSA-N 1 0 306.366 1.902 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000172832756 162307158 /nfs/dbraw/zinc/30/71/58/162307158.db2.gz QCHLORYYCVBTDK-ZDUSSCGKSA-N 1 0 323.397 1.433 20 5 DDBDRO O=[N+]([O-])c1ccc(F)cc1CN1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000172940892 162311675 /nfs/dbraw/zinc/31/16/75/162311675.db2.gz XYVJLBNPFBYHTD-ZDUSSCGKSA-N 1 0 323.368 1.888 20 5 DDBDRO CC1(CNC(=O)COc2cccc([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000183388838 408395387 /nfs/dbraw/zinc/39/53/87/408395387.db2.gz FCVJXNSCTCKDPY-UHFFFAOYSA-N 1 0 307.350 1.480 20 5 DDBDRO Cc1cc(C(=O)NCCC[N@@H+](C)C(C)C)c(N)c([N+](=O)[O-])c1 ZINC000264219779 408410465 /nfs/dbraw/zinc/41/04/65/408410465.db2.gz JRJNRDITMCKAMQ-UHFFFAOYSA-N 1 0 308.382 1.946 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)NCC[N@@H+]2CCC[C@H](C)C2)n1 ZINC000191772693 408487784 /nfs/dbraw/zinc/48/77/84/408487784.db2.gz CYNJYGWUYIRUAQ-NSHDSACASA-N 1 0 309.370 1.273 20 5 DDBDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1ccccc1[N+](=O)[O-] ZINC000176905730 408470107 /nfs/dbraw/zinc/47/01/07/408470107.db2.gz FXFYACRYEAKVDP-LBPRGKRZSA-N 1 0 309.366 1.681 20 5 DDBDRO C[C@H](O)[C@@H]1CC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000248584174 408592025 /nfs/dbraw/zinc/59/20/25/408592025.db2.gz QQHCYTHPSTUFMN-OUCADQQQSA-N 1 0 310.350 1.037 20 5 DDBDRO COC[C@@](C)([NH3+])CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000265257858 408593823 /nfs/dbraw/zinc/59/38/23/408593823.db2.gz USCMZHLVGGDNLU-AWEZNQCLSA-N 1 0 308.338 1.255 20 5 DDBDRO CC1(C)C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC[C@@H]1O ZINC000275544150 408595112 /nfs/dbraw/zinc/59/51/12/408595112.db2.gz ZLRIYRBXYMLJQS-ZFWWWQNUSA-N 1 0 324.377 1.427 20 5 DDBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000270761445 408669821 /nfs/dbraw/zinc/66/98/21/408669821.db2.gz MTKAFFZOLWEBHW-MNOVXSKESA-N 1 0 309.370 1.179 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)N(C)CC2([NH+](C)C)CCC2)c1[N+](=O)[O-] ZINC000275923722 408720882 /nfs/dbraw/zinc/72/08/82/408720882.db2.gz UUPYKLJTYPFYEI-UHFFFAOYSA-N 1 0 323.397 1.998 20 5 DDBDRO CCc1ccc(C(=O)N2C[C@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1[N+](=O)[O-] ZINC000184959543 408725077 /nfs/dbraw/zinc/72/50/77/408725077.db2.gz PEJVLHIDVPTZOP-MCIONIFRSA-N 1 0 303.362 1.967 20 5 DDBDRO C[C@H]([NH3+])c1ccc(NC(=O)CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000178218778 408789320 /nfs/dbraw/zinc/78/93/20/408789320.db2.gz SWOARLIAXCUFHD-JTQLQIEISA-N 1 0 303.322 1.840 20 5 DDBDRO CC[N@H+](CCO)CCNC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000185348428 408797254 /nfs/dbraw/zinc/79/72/54/408797254.db2.gz PYSMSUBTOLIZLK-UHFFFAOYSA-N 1 0 310.354 1.339 20 5 DDBDRO C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000285704936 408847103 /nfs/dbraw/zinc/84/71/03/408847103.db2.gz IYVGSUYMFUFCBY-KBPBESRZSA-N 1 0 305.334 1.140 20 5 DDBDRO COc1cc(C(=O)NC[C@@H]2CC[N@H+](C)C2)cc([N+](=O)[O-])c1C ZINC000189208425 163089225 /nfs/dbraw/zinc/08/92/25/163089225.db2.gz OLVGBTGYXMZFMG-NSHDSACASA-N 1 0 307.350 1.593 20 5 DDBDRO CCc1nnc(C2CC[NH+](CCn3cc([N+](=O)[O-])cn3)CC2)[nH]1 ZINC000190676485 163152336 /nfs/dbraw/zinc/15/23/36/163152336.db2.gz AAEDUSJJVBGPHY-UHFFFAOYSA-N 1 0 319.369 1.351 20 5 DDBDRO C[C@H]1COCC[C@@H]1[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000277439629 408941464 /nfs/dbraw/zinc/94/14/64/408941464.db2.gz LFDRRGDPNRBGAF-FZMZJTMJSA-N 1 0 307.350 1.572 20 5 DDBDRO COc1ccc(C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)cc1[N+](=O)[O-] ZINC000292269744 409013133 /nfs/dbraw/zinc/01/31/33/409013133.db2.gz QARTYDXPLQBCIV-INIZCTEOSA-N 1 0 319.361 1.771 20 5 DDBDRO CCN(Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H]1CCNC1=O ZINC000282399177 409047743 /nfs/dbraw/zinc/04/77/43/409047743.db2.gz PMLUBYJGUZBMIT-CYBMUJFWSA-N 1 0 321.333 1.172 20 5 DDBDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1c1ccc([N+](=O)[O-])cn1 ZINC000278814252 409094431 /nfs/dbraw/zinc/09/44/31/409094431.db2.gz SOUQIJLIJFPBQK-LBPRGKRZSA-N 1 0 306.366 1.679 20 5 DDBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000279486157 409224253 /nfs/dbraw/zinc/22/42/53/409224253.db2.gz RENRAPWRKUQVIZ-RNCFNFMXSA-N 1 0 324.356 1.728 20 5 DDBDRO CCS(=O)(=O)NCCN(C)CCc1ccccc1[N+](=O)[O-] ZINC000285275087 409407841 /nfs/dbraw/zinc/40/78/41/409407841.db2.gz IYCPSKQPPQFGNQ-UHFFFAOYSA-N 1 0 315.395 1.008 20 5 DDBDRO C[NH+](C)CCn1cc(NC(=O)CCC(C)(C)[N+](=O)[O-])ccc1=O ZINC000296182229 409455206 /nfs/dbraw/zinc/45/52/06/409455206.db2.gz BBYOODHLUBQKRR-UHFFFAOYSA-N 1 0 324.381 1.184 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H](C)CCC[NH3+] ZINC000313555684 164010676 /nfs/dbraw/zinc/01/06/76/164010676.db2.gz SPQIEVKOFGLKMV-JTQLQIEISA-N 1 0 301.368 1.309 20 5 DDBDRO NC(=O)c1ccc(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000317043685 164025210 /nfs/dbraw/zinc/02/52/10/164025210.db2.gz VBVFLVVBINSNDH-RYUDHWBXSA-N 1 0 304.350 1.732 20 5 DDBDRO Nc1c(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000317417117 164027222 /nfs/dbraw/zinc/02/72/22/164027222.db2.gz YIWQBNGOTMTALC-WDEREUQCSA-N 1 0 304.350 1.534 20 5 DDBDRO COc1cc(NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)ccc1[N+](=O)[O-] ZINC000317768834 164029180 /nfs/dbraw/zinc/02/91/80/164029180.db2.gz QKAMYUGUZPNYOR-CHWSQXEVSA-N 1 0 307.350 1.879 20 5 DDBDRO CC(C)[N@H+](C)C[C@H](C)NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000356823130 409638788 /nfs/dbraw/zinc/63/87/88/409638788.db2.gz SXFBKXSPSVGPIY-LBPRGKRZSA-N 1 0 309.366 1.819 20 5 DDBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCC[C@@H]1CO ZINC000304220402 409581276 /nfs/dbraw/zinc/58/12/76/409581276.db2.gz INAKFEYRYIZXMR-GFCCVEGCSA-N 1 0 321.333 1.350 20 5 DDBDRO COc1c(C(=O)N(C)CC[N@H+](C)C2CC2)cccc1[N+](=O)[O-] ZINC000356776160 409595098 /nfs/dbraw/zinc/59/50/98/409595098.db2.gz JSVWPNLFLWGWCR-UHFFFAOYSA-N 1 0 307.350 1.770 20 5 DDBDRO C[C@@H](Sc1nnnn1CC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000337954680 409595885 /nfs/dbraw/zinc/59/58/85/409595885.db2.gz JGIUPXOHSOJYOW-SNVBAGLBSA-N 1 0 322.394 1.996 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[N@@H+](C)[C@H](C)[C@H]1C ZINC000356897302 409700860 /nfs/dbraw/zinc/70/08/60/409700860.db2.gz ZNHDCVPMNGTDII-GHMZBOCLSA-N 1 0 309.370 1.041 20 5 DDBDRO Cc1ccc(NCCCNC(=O)C2([NH3+])CCC2)c([N+](=O)[O-])c1 ZINC000296959450 409730318 /nfs/dbraw/zinc/73/03/18/409730318.db2.gz UJMSBIQHWLQKIW-UHFFFAOYSA-N 1 0 306.366 1.703 20 5 DDBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2[nH]nc(C)c2[N+](=O)[O-])C[C@H]1C ZINC000354406688 409832303 /nfs/dbraw/zinc/83/23/03/409832303.db2.gz VZSMNDUYQDIFAZ-MWLCHTKSSA-N 1 0 309.370 1.571 20 5 DDBDRO C[NH+](C)[C@@H](CNc1ncnc2cccc([N+](=O)[O-])c21)C1CC1 ZINC000357322443 409973224 /nfs/dbraw/zinc/97/32/24/409973224.db2.gz IARNELPEJOHVTR-ZDUSSCGKSA-N 1 0 301.350 2.290 20 5 DDBDRO CC[N@H+](CCNC(=O)COc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000338465843 410010853 /nfs/dbraw/zinc/01/08/53/410010853.db2.gz YRIJECOQGZWOLW-UHFFFAOYSA-N 1 0 307.350 1.574 20 5 DDBDRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000346722357 410110663 /nfs/dbraw/zinc/11/06/63/410110663.db2.gz RCAKOFBZHAHCJJ-NSHDSACASA-N 1 0 310.354 1.106 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H]1CCC[N@H+]1C ZINC000357663689 410171325 /nfs/dbraw/zinc/17/13/25/410171325.db2.gz LZSLZOLLHHSKLM-LBPRGKRZSA-N 1 0 313.379 1.276 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000347100131 410342395 /nfs/dbraw/zinc/34/23/95/410342395.db2.gz UKTPWSWRMGRYMK-JTQLQIEISA-N 1 0 323.378 1.423 20 5 DDBDRO C[NH+](C)CCOc1cccc(NC(=O)c2cc([N+](=O)[O-])n[nH]2)c1 ZINC000351966112 410378150 /nfs/dbraw/zinc/37/81/50/410378150.db2.gz WZHLLCBFGKFBJM-UHFFFAOYSA-N 1 0 319.321 1.511 20 5 DDBDRO CC1=CC[N@H+](CCNC(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000355337101 410451963 /nfs/dbraw/zinc/45/19/63/410451963.db2.gz PRRPGHRCWWRBDP-UHFFFAOYSA-N 1 0 303.362 1.906 20 5 DDBDRO CC[C@H](C)[N@H+](CCO)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000347480440 410575727 /nfs/dbraw/zinc/57/57/27/410575727.db2.gz RCPNUUPTIDFHAB-STQMWFEESA-N 1 0 312.366 1.427 20 5 DDBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1c1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000343621189 410577887 /nfs/dbraw/zinc/57/78/87/410577887.db2.gz HGEVEXOJJMCNAL-NEPJUHHUSA-N 1 0 318.377 1.757 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCCC[N@@H+](C)C(C)C ZINC000299518042 410595544 /nfs/dbraw/zinc/59/55/44/410595544.db2.gz OHISQRNMOADBCJ-UHFFFAOYSA-N 1 0 311.386 1.336 20 5 DDBDRO Cc1c(Br)c(N2CC([NH+](C)C)C2)ncc1[N+](=O)[O-] ZINC000347452742 410559004 /nfs/dbraw/zinc/55/90/04/410559004.db2.gz RMHIDBHSCPTYOX-UHFFFAOYSA-N 1 0 315.171 1.811 20 5 DDBDRO C[C@@H]1[C@H](C)N(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000343718213 410642674 /nfs/dbraw/zinc/64/26/74/410642674.db2.gz CZLLPQJUQRXBKB-HZSPNIEDSA-N 1 0 323.393 1.359 20 5 DDBDRO C[NH+]1CCC(Nc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CC1 ZINC000301089890 410652803 /nfs/dbraw/zinc/65/28/03/410652803.db2.gz ZRAXUUNZIDJVNL-UHFFFAOYSA-N 1 0 303.322 1.750 20 5 DDBDRO C[C@@H](CNC(=O)N[C@@H]1CCC[NH2+]C1)c1ccccc1[N+](=O)[O-] ZINC001120544366 782015334 /nfs/dbraw/zinc/01/53/34/782015334.db2.gz RQWRKDQWVROFEQ-NWDGAFQWSA-N 1 0 306.366 1.750 20 5 DDBDRO Cc1n[nH]c(C(=O)NCC[N@@H+](C)C2CCCCC2)c1[N+](=O)[O-] ZINC000330530010 410753520 /nfs/dbraw/zinc/75/35/20/410753520.db2.gz RIDFLTMJCAVRNQ-UHFFFAOYSA-N 1 0 309.370 1.621 20 5 DDBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2c([N+](=O)[O-])cnn2C)[C@@H](C)C1 ZINC000330553635 410772474 /nfs/dbraw/zinc/77/24/74/410772474.db2.gz CTZBMIFKUOKCGS-WDEREUQCSA-N 1 0 309.370 1.131 20 5 DDBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000330565224 410781606 /nfs/dbraw/zinc/78/16/06/410781606.db2.gz ACZKFZRTZIDVSU-QWHCGFSZSA-N 1 0 320.393 1.582 20 5 DDBDRO CC[N@@H+]1C[C@@H](C)N(CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000330569428 410785616 /nfs/dbraw/zinc/78/56/16/410785616.db2.gz MCUIDYLCPHOQLE-QWHCGFSZSA-N 1 0 320.393 1.948 20 5 DDBDRO CC[NH+](CC)CCOCCNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000348174540 410836867 /nfs/dbraw/zinc/83/68/67/410836867.db2.gz RGBWMHOQGAMFDP-UHFFFAOYSA-N 1 0 309.366 1.683 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2C[C@@H]3CC[C@@H](O)[C@H]3C2)c1 ZINC000343995407 410875667 /nfs/dbraw/zinc/87/56/67/410875667.db2.gz QISFDSGASFYJDQ-RUAUBTSSSA-N 1 0 322.361 1.037 20 5 DDBDRO CC(C)[C@H]1CN(C(=O)COc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000331117153 410957316 /nfs/dbraw/zinc/95/73/16/410957316.db2.gz DXIRKQJUGKOIJB-CQSZACIVSA-N 1 0 321.377 1.772 20 5 DDBDRO CCCc1n[nH]c(C(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000331126543 410965539 /nfs/dbraw/zinc/96/55/39/410965539.db2.gz HTGIQLWNOLWQDX-GFCCVEGCSA-N 1 0 323.397 1.683 20 5 DDBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])n2C)[C@H](C)C1 ZINC000356284391 410943969 /nfs/dbraw/zinc/94/39/69/410943969.db2.gz PBYBKJYFDVZRCO-VXGBXAGGSA-N 1 0 308.382 1.736 20 5 DDBDRO Cc1cccc2c1CC[C@H]2[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000580184768 422898548 /nfs/dbraw/zinc/89/85/48/422898548.db2.gz SOJZQBANJGZDCX-XJKSGUPXSA-N 1 0 316.361 1.738 20 5 DDBDRO C[NH+](C)Cc1cccc(CNC(=O)c2[nH]ncc2[N+](=O)[O-])c1 ZINC000134480996 196395625 /nfs/dbraw/zinc/39/56/25/196395625.db2.gz KLNQWSYBJLRDDW-UHFFFAOYSA-N 1 0 303.322 1.310 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000417168914 225230680 /nfs/dbraw/zinc/23/06/80/225230680.db2.gz BCSOQPKIBSWVRF-QWRGUYRKSA-N 1 0 322.365 1.482 20 5 DDBDRO [NH3+]C[C@H]1CC[C@H](NC(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000417232785 225257349 /nfs/dbraw/zinc/25/73/49/225257349.db2.gz NBCCQAFLZHBSGA-STQMWFEESA-N 1 0 306.366 1.564 20 5 DDBDRO Cn1nc([N+](=O)[O-])cc1C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000361229704 299825174 /nfs/dbraw/zinc/82/51/74/299825174.db2.gz NEFYLGJZXVWRKA-UHFFFAOYSA-N 1 0 309.370 1.367 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC2(CC[NH2+]2)CC1 ZINC000422642785 227085172 /nfs/dbraw/zinc/08/51/72/227085172.db2.gz ZYTBWUWQWJCURF-UHFFFAOYSA-N 1 0 318.377 1.670 20 5 DDBDRO C[NH2+]C[C@@H](C)CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000154604810 221652831 /nfs/dbraw/zinc/65/28/31/221652831.db2.gz HLHKXNPEONPCMI-GFCCVEGCSA-N 1 0 320.393 1.780 20 5 DDBDRO O=C(COc1cccc([N+](=O)[O-])c1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000373929403 418474751 /nfs/dbraw/zinc/47/47/51/418474751.db2.gz ORJPRKPDEMNBOV-OLZOCXBDSA-N 1 0 319.361 1.717 20 5 DDBDRO C[C@@H](CC[NH+](C)C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000360655047 418485496 /nfs/dbraw/zinc/48/54/96/418485496.db2.gz WVCSOTRJYYBCSD-VIFPVBQESA-N 1 0 319.358 1.352 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)n1 ZINC000360662144 418486843 /nfs/dbraw/zinc/48/68/43/418486843.db2.gz FEAOBPVJDNDGKJ-GFCCVEGCSA-N 1 0 321.381 1.298 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)n1 ZINC000191648136 418522320 /nfs/dbraw/zinc/52/23/20/418522320.db2.gz SZZHSEVRIDOBES-MNOVXSKESA-N 1 0 307.354 1.120 20 5 DDBDRO Cc1c([C@@H]2CCC[N@@H+]2CCn2ccc([N+](=O)[O-])n2)cnn1C ZINC000360848406 418533814 /nfs/dbraw/zinc/53/38/14/418533814.db2.gz KJNFMOQACJLTCD-ZDUSSCGKSA-N 1 0 304.354 1.670 20 5 DDBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000366930350 418539017 /nfs/dbraw/zinc/53/90/17/418539017.db2.gz ARBFKOPJUJAHFB-RYUDHWBXSA-N 1 0 324.356 1.555 20 5 DDBDRO CNc1c(C(=O)N2CC[C@@H](C[NH+](C)C)C2)cccc1[N+](=O)[O-] ZINC000360920075 418547577 /nfs/dbraw/zinc/54/75/77/418547577.db2.gz UAWJWUBDFGCPOU-NSHDSACASA-N 1 0 306.366 1.660 20 5 DDBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)COc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000375057013 418597599 /nfs/dbraw/zinc/59/75/99/418597599.db2.gz DPTNQYBJAPRMEX-SWLSCSKDSA-N 1 0 319.361 1.526 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)COc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000375057010 418598003 /nfs/dbraw/zinc/59/80/03/418598003.db2.gz DPTNQYBJAPRMEX-DOMZBBRYSA-N 1 0 319.361 1.526 20 5 DDBDRO CNc1c(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000361220807 418607545 /nfs/dbraw/zinc/60/75/45/418607545.db2.gz MNRSOIYXDAIYCS-GFCCVEGCSA-N 1 0 318.377 1.945 20 5 DDBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2c([N+](=O)[O-])ncn2C)C12CCOCC2 ZINC000367566887 418611561 /nfs/dbraw/zinc/61/15/61/418611561.db2.gz SYVJPBYBMCAYBT-CHWSQXEVSA-N 1 0 324.381 1.392 20 5 DDBDRO CN(CC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)c1ccccc1[N+](=O)[O-] ZINC000361353925 418632716 /nfs/dbraw/zinc/63/27/16/418632716.db2.gz JGDGPGWREBSERO-GFCCVEGCSA-N 1 0 318.377 1.384 20 5 DDBDRO COc1ccc(C[N@H+](CCO)[C@H]2CCO[C@@H]2C)cc1[N+](=O)[O-] ZINC000361563861 418679189 /nfs/dbraw/zinc/67/91/89/418679189.db2.gz LMIMPQYUSNQCTM-YPMHNXCESA-N 1 0 310.350 1.575 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H](C(C)C)[C@H](C)[NH3+] ZINC000423063245 227332204 /nfs/dbraw/zinc/33/22/04/227332204.db2.gz OJKWTPKLMQMNTQ-HZMBPMFUSA-N 1 0 309.366 1.839 20 5 DDBDRO [NH3+][C@H]1CCC[C@@]12CCN(C(=O)Cc1cccc([N+](=O)[O-])c1)C2 ZINC000372783153 418901444 /nfs/dbraw/zinc/90/14/44/418901444.db2.gz LVKBLLPFZBASBZ-HOCLYGCPSA-N 1 0 303.362 1.867 20 5 DDBDRO COc1ccc(NC(=O)CC[N@@H+]2C[C@@H](O)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000411420296 418902631 /nfs/dbraw/zinc/90/26/31/418902631.db2.gz JIUDIBBQMPHMIF-MNOVXSKESA-N 1 0 323.349 1.387 20 5 DDBDRO Cc1cc(C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)c(N)c([N+](=O)[O-])c1 ZINC000365246045 418845841 /nfs/dbraw/zinc/84/58/41/418845841.db2.gz OCDOAGXKBVNONV-JQWIXIFHSA-N 1 0 304.350 1.309 20 5 DDBDRO Cc1cc(C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)c(N)c([N+](=O)[O-])c1 ZINC000365246047 418845843 /nfs/dbraw/zinc/84/58/43/418845843.db2.gz OCDOAGXKBVNONV-ZYHUDNBSSA-N 1 0 304.350 1.309 20 5 DDBDRO COC(=O)[C@@H]1CN(Cc2c([N+](=O)[O-])ncn2C)CC12CCC2 ZINC000373184759 418931050 /nfs/dbraw/zinc/93/10/50/418931050.db2.gz XKQRDGBDSMYJOL-JTQLQIEISA-N 1 0 308.338 1.103 20 5 DDBDRO Cc1c(CC(=O)N2CCC3(CC[NH2+]3)CC2)cccc1[N+](=O)[O-] ZINC000424056797 228223575 /nfs/dbraw/zinc/22/35/75/228223575.db2.gz SVASMZBSOAHOBN-UHFFFAOYSA-N 1 0 303.362 1.800 20 5 DDBDRO Nc1ncc([N+](=O)[O-])cc1-c1nc(C2([NH3+])CCCCC2)no1 ZINC000424347069 228259763 /nfs/dbraw/zinc/25/97/63/228259763.db2.gz KPIGSZUOZGSSOT-UHFFFAOYSA-N 1 0 304.310 1.740 20 5 DDBDRO C[C@H]1C[C@@H](O)CC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411758361 419400108 /nfs/dbraw/zinc/40/01/08/419400108.db2.gz NOIOCFHCQHWWOP-FZMZJTMJSA-N 1 0 307.350 1.769 20 5 DDBDRO COc1cc(CN2CC[N@H+](CCO)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000426484128 419483993 /nfs/dbraw/zinc/48/39/93/419483993.db2.gz KZIDLFIZJLALFQ-GFCCVEGCSA-N 1 0 309.366 1.102 20 5 DDBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)C[C@H]1CCC[N@@H+]1C ZINC000421002727 419442209 /nfs/dbraw/zinc/44/22/09/419442209.db2.gz MOXRGLXWLLBSRP-CHWSQXEVSA-N 1 0 320.393 1.948 20 5 DDBDRO COc1ccc(OCC[N@@H+]2C[C@@H](O)CC[C@H]2C)c([N+](=O)[O-])c1 ZINC000421026670 419455792 /nfs/dbraw/zinc/45/57/92/419455792.db2.gz UODNIWIVZRKGLJ-NEPJUHHUSA-N 1 0 310.350 1.827 20 5 DDBDRO CC[N@H+](CCNC(=O)c1[nH]ncc1[N+](=O)[O-])CCC(F)(F)F ZINC000427266952 419629173 /nfs/dbraw/zinc/62/91/73/419629173.db2.gz MNIUHZNNJBBBGL-UHFFFAOYSA-N 1 0 323.275 1.322 20 5 DDBDRO C[NH+](C)C[C@](C)(O)CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412203260 419720648 /nfs/dbraw/zinc/72/06/48/419720648.db2.gz GHXMUWSSRLSWEC-SQWLQELKSA-N 1 0 321.377 1.127 20 5 DDBDRO C[C@@H](C[NH3+])CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000418463162 419816201 /nfs/dbraw/zinc/81/62/01/419816201.db2.gz CHUNUGYGRZCRRP-NSHDSACASA-N 1 0 306.366 1.864 20 5 DDBDRO Cc1cc(OCC(=O)NC[C@@H](C2CC2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000431711922 229051501 /nfs/dbraw/zinc/05/15/01/229051501.db2.gz MINSZUQNGHRKJO-HNNXBMFYSA-N 1 0 321.377 1.738 20 5 DDBDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1 ZINC000429507589 420022785 /nfs/dbraw/zinc/02/27/85/420022785.db2.gz ZSPHHQXZUHBGGG-NSHDSACASA-N 1 0 323.349 1.436 20 5 DDBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000423355972 420024947 /nfs/dbraw/zinc/02/49/47/420024947.db2.gz GCHPJJCJACRMQK-YWPYICTPSA-N 1 0 320.393 1.900 20 5 DDBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])c(N)c2F)[C@@H](C)CN1CCO ZINC000418996946 420040911 /nfs/dbraw/zinc/04/09/11/420040911.db2.gz FSHWWNFVEOOGTB-ZJUUUORDSA-N 1 0 312.345 1.207 20 5 DDBDRO COCC[C@@]1([NH2+]Cc2ccc([N+](=O)[O-])cc2OC)CCOC1 ZINC000430240137 420094998 /nfs/dbraw/zinc/09/49/98/420094998.db2.gz LLUDMXSOAQZCHE-OAHLLOKOSA-N 1 0 310.350 1.889 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000423701663 420132203 /nfs/dbraw/zinc/13/22/03/420132203.db2.gz XAJLZIPXIOVPKL-RISCZKNCSA-N 1 0 319.361 1.818 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000415498174 420090751 /nfs/dbraw/zinc/09/07/51/420090751.db2.gz IOQQENIUVLYUBN-WDEREUQCSA-N 1 0 320.349 1.677 20 5 DDBDRO C[C@@H]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](C[NH3+])C1 ZINC000420324817 420209507 /nfs/dbraw/zinc/20/95/07/420209507.db2.gz BCNVERRSGCYPSH-DOMZBBRYSA-N 1 0 320.393 1.983 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@](C)(C[NH3+])C(C)C ZINC000430591416 420149381 /nfs/dbraw/zinc/14/93/81/420149381.db2.gz FKEOXJHXWDRJBT-OAHLLOKOSA-N 1 0 308.382 1.805 20 5 DDBDRO C[NH2+]C1CCN([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000430951290 420221450 /nfs/dbraw/zinc/22/14/50/420221450.db2.gz LCRQDFRAAWJAKB-LLVKDONJSA-N 1 0 306.366 1.606 20 5 DDBDRO COc1ccc(OCCN2CC[C@@H]3C[NH2+]C[C@@H]32)c([N+](=O)[O-])c1 ZINC000420344551 420225214 /nfs/dbraw/zinc/22/52/14/420225214.db2.gz UCNOVWCKOMNMSZ-RISCZKNCSA-N 1 0 307.350 1.276 20 5 DDBDRO O=C(CCN1CCC[C@H]2C[NH2+]C[C@H]21)Nc1ccc([N+](=O)[O-])cc1 ZINC000420346887 420225487 /nfs/dbraw/zinc/22/54/87/420225487.db2.gz ZINCENSVUKJJEB-SWLSCSKDSA-N 1 0 318.377 1.607 20 5 DDBDRO C[C@H]1[C@@H]([NH3+])CCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000420348757 420227299 /nfs/dbraw/zinc/22/72/99/420227299.db2.gz ATOILGLSYMGCSJ-KWQFWETISA-N 1 0 312.757 1.608 20 5 DDBDRO C[NH2+]CCCN(C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000420393213 420260021 /nfs/dbraw/zinc/26/00/21/420260021.db2.gz WXPOWAYNMFZROH-GFCCVEGCSA-N 1 0 308.382 1.772 20 5 DDBDRO COc1ccc(OCCN2CC[C@H](C)[C@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000420396956 420261070 /nfs/dbraw/zinc/26/10/70/420261070.db2.gz FMXUGTIKASRLQR-QWHCGFSZSA-N 1 0 323.393 1.899 20 5 DDBDRO C[NH+](C)C[C@@](C)(O)CNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000301773587 229884630 /nfs/dbraw/zinc/88/46/30/229884630.db2.gz MEGVYWYOVPQAIR-HNNXBMFYSA-N 1 0 304.350 1.868 20 5 DDBDRO C[C@@H]1CCCC[N@@H+]1CCNc1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420591235 420325741 /nfs/dbraw/zinc/32/57/41/420325741.db2.gz XFYVQFMHHMEAGA-LLVKDONJSA-N 1 0 306.366 1.980 20 5 DDBDRO [NH3+][C@@H]1CCC[C@H](CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000420456868 420300214 /nfs/dbraw/zinc/30/02/14/420300214.db2.gz APJXKKKGFQMLNN-WDEREUQCSA-N 1 0 313.379 1.391 20 5 DDBDRO CN(C[C@H]1CCC[N@@H+]1C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420766108 420383412 /nfs/dbraw/zinc/38/34/12/420383412.db2.gz LWBQONSKGARSOZ-GFCCVEGCSA-N 1 0 313.379 1.310 20 5 DDBDRO CN(C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000444979772 230147710 /nfs/dbraw/zinc/14/77/10/230147710.db2.gz AYEUQKMBXFCPBD-NSHDSACASA-N 1 0 306.322 1.004 20 5 DDBDRO Cc1cc(S(=O)(=O)N2C[C@H](C[NH3+])C[C@H]2C)ccc1[N+](=O)[O-] ZINC000447248987 230348800 /nfs/dbraw/zinc/34/88/00/230348800.db2.gz VQUVYLNSXFZLEQ-MNOVXSKESA-N 1 0 313.379 1.261 20 5 DDBDRO C[C@@H]1CCN(C(=O)NCCc2ccccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000417773440 420474996 /nfs/dbraw/zinc/47/49/96/420474996.db2.gz WXLHKWVUFDTWPR-OCCSQVGLSA-N 1 0 320.393 1.764 20 5 DDBDRO C[C@H](NC(=O)NC[C@@]1(O)CC[N@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000458894430 420756618 /nfs/dbraw/zinc/75/66/18/420756618.db2.gz YJCZUGXBDWYSHD-NHYWBVRUSA-N 1 0 322.365 1.022 20 5 DDBDRO C[C@H](NC(=O)NCCOCC[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000458706364 420717913 /nfs/dbraw/zinc/71/79/13/420717913.db2.gz ZSEXWRSYUMJVDO-LBPRGKRZSA-N 1 0 324.381 1.533 20 5 DDBDRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000492965776 420723615 /nfs/dbraw/zinc/72/36/15/420723615.db2.gz VDEQKASSJZMVNR-UBYARMNVSA-N 1 0 307.325 1.991 20 5 DDBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@@H](CO)[C@@H]3CCCO3)nc2c1 ZINC000447913609 420817010 /nfs/dbraw/zinc/81/70/10/420817010.db2.gz MXEUZICKIPGJQL-STQMWFEESA-N 1 0 306.322 1.101 20 5 DDBDRO Cn1nccc1[C@H](CO)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000459713100 420855141 /nfs/dbraw/zinc/85/51/41/420855141.db2.gz NLEDYXBFPAXEMA-AGLBCWCQSA-N 1 0 302.334 1.665 20 5 DDBDRO COCCNC(=O)C1([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000459759660 420866832 /nfs/dbraw/zinc/86/68/32/420866832.db2.gz RNLPLMDQEPHTOB-XQRVVYSFSA-N 1 0 319.361 1.493 20 5 DDBDRO CCOc1ccc(C(=O)N[C@@H](CC[NH3+])C(F)F)cc1[N+](=O)[O-] ZINC000449611996 421038248 /nfs/dbraw/zinc/03/82/48/421038248.db2.gz JAQWKLCSMIBYTA-VIFPVBQESA-N 1 0 317.292 1.706 20 5 DDBDRO CN(CC(=O)NC[C@H]1CCC[C@@H]([NH3+])C1)c1ccccc1[N+](=O)[O-] ZINC000449642600 421042433 /nfs/dbraw/zinc/04/24/33/421042433.db2.gz GPCWBJYZEMYYDP-QWHCGFSZSA-N 1 0 320.393 1.665 20 5 DDBDRO CCOc1ccc(C(=O)N[C@H]2CC[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000449714098 421066713 /nfs/dbraw/zinc/06/67/13/421066713.db2.gz ZNPMNWMIDBPDEZ-JQWIXIFHSA-N 1 0 307.350 1.851 20 5 DDBDRO COC(=O)Cc1ccc(N[C@@H]2CC[N@@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000450279456 421176442 /nfs/dbraw/zinc/17/64/42/421176442.db2.gz VHGUUFITBFQCBR-GFCCVEGCSA-N 1 0 319.361 1.959 20 5 DDBDRO CC[N@@H+]1CCN(C(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000561147299 421309226 /nfs/dbraw/zinc/30/92/26/421309226.db2.gz LSQQBNPFQVFXIR-GFCCVEGCSA-N 1 0 321.377 1.699 20 5 DDBDRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC000547754785 421363469 /nfs/dbraw/zinc/36/34/69/421363469.db2.gz CTRIDWYOQRTNCV-QWRGUYRKSA-N 1 0 309.370 1.416 20 5 DDBDRO C[N@H+]([C@@H]1CCC[C@H]1O)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000511586256 421433241 /nfs/dbraw/zinc/43/32/41/421433241.db2.gz QQJFICOFDACSCV-QLFBSQMISA-N 1 0 319.361 1.545 20 5 DDBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1cc([N+](=O)[O-])cn1C ZINC000515320430 421492678 /nfs/dbraw/zinc/49/26/78/421492678.db2.gz OWPDMEDIBZKLMK-YPMHNXCESA-N 1 0 306.366 1.632 20 5 DDBDRO Cc1c(C(=O)NC[C@]2(O)C[NH+]3CCC2CC3)cccc1[N+](=O)[O-] ZINC000552210599 421580535 /nfs/dbraw/zinc/58/05/35/421580535.db2.gz MEDSOFLSQPGGKS-INIZCTEOSA-N 1 0 319.361 1.090 20 5 DDBDRO CC1(C)CCC[N@H+](CCNC(=O)c2ccnc(N)c2[N+](=O)[O-])C1 ZINC000567289864 421611294 /nfs/dbraw/zinc/61/12/94/421611294.db2.gz RRIGNTIMCUBKAU-UHFFFAOYSA-N 1 0 321.381 1.424 20 5 DDBDRO CNc1ccc(C(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000531482990 421634598 /nfs/dbraw/zinc/63/45/98/421634598.db2.gz JXPUARZCZCYKNO-PWSUYJOCSA-N 1 0 318.377 1.992 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)NCc3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000542778313 421828680 /nfs/dbraw/zinc/82/86/80/421828680.db2.gz KUWDZIAQYYHDGQ-UKRRQHHQSA-N 1 0 318.377 1.830 20 5 DDBDRO COc1ccc(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000582130958 422117718 /nfs/dbraw/zinc/11/77/18/422117718.db2.gz SDBWSRGMIFILSV-LLVKDONJSA-N 1 0 307.350 1.561 20 5 DDBDRO COCC[NH2+]C1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000583446144 422167840 /nfs/dbraw/zinc/16/78/40/422167840.db2.gz QKGQBOSJYYZGMJ-UHFFFAOYSA-N 1 0 323.393 1.674 20 5 DDBDRO CC[C@H]1CN(c2ncc([N+](=O)[O-])cc2F)CCN1C[C@H](C)O ZINC000574857981 422196158 /nfs/dbraw/zinc/19/61/58/422196158.db2.gz OSHACRCQLAQGLC-QWRGUYRKSA-N 1 0 312.345 1.410 20 5 DDBDRO C[C@@H](CNc1ncc([N+](=O)[O-])s1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000594590769 422351607 /nfs/dbraw/zinc/35/16/07/422351607.db2.gz ATKJTMYBCAXWHO-LPEHRKFASA-N 1 0 300.384 1.961 20 5 DDBDRO C[N@@H+]1CC[C@H](Nc2ccc(N)c([N+](=O)[O-])n2)[C@@H]1c1ccccc1 ZINC000590582374 422319869 /nfs/dbraw/zinc/31/98/69/422319869.db2.gz QUYRIZTUSIZDHK-ZFWWWQNUSA-N 1 0 313.361 2.429 20 5 DDBDRO C[N@@H+]1CC[C@@H](Nc2ccc(N)c([N+](=O)[O-])n2)[C@@H]1c1ccccc1 ZINC000590582372 422320944 /nfs/dbraw/zinc/32/09/44/422320944.db2.gz QUYRIZTUSIZDHK-HIFRSBDPSA-N 1 0 313.361 2.429 20 5 DDBDRO Cc1ccc(NC(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000577633707 422398448 /nfs/dbraw/zinc/39/84/48/422398448.db2.gz USUBCRKSHUMNNC-ZJUUUORDSA-N 1 0 308.338 1.084 20 5 DDBDRO CO[C@@H]1CCN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000322281645 271030031 /nfs/dbraw/zinc/03/00/31/271030031.db2.gz VDMXUNSAZRUJJP-YOIVVXPQSA-N 1 0 319.361 1.573 20 5 DDBDRO CC[N@@H+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000341776958 271209608 /nfs/dbraw/zinc/20/96/08/271209608.db2.gz OHZWGOQWANFPEE-NSHDSACASA-N 1 0 309.341 1.829 20 5 DDBDRO COC(=O)COc1ccc(C[NH2+][C@@H](C)CF)cc1[N+](=O)[O-] ZINC000342209772 271340469 /nfs/dbraw/zinc/34/04/69/271340469.db2.gz WRDWKALECQMZHE-VIFPVBQESA-N 1 0 300.286 1.594 20 5 DDBDRO CC[NH+]1C[C@@H](C)N(C(=O)COc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000344410939 272018687 /nfs/dbraw/zinc/01/86/87/272018687.db2.gz CDBBRCINZCOVMW-CHWSQXEVSA-N 1 0 321.377 1.915 20 5 DDBDRO CC[NH+]1C[C@H](C)N(C(=O)c2cc([N+](=O)[O-])cnc2C)[C@@H](C)C1 ZINC000344426753 272023055 /nfs/dbraw/zinc/02/30/55/272023055.db2.gz PUJQHSUKLGSAPL-QWRGUYRKSA-N 1 0 306.366 1.853 20 5 DDBDRO Cc1n[nH]c(C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)c1[N+](=O)[O-] ZINC000344673729 272086841 /nfs/dbraw/zinc/08/68/41/272086841.db2.gz MPZMOHGNPARIKT-JTQLQIEISA-N 1 0 309.370 1.477 20 5 DDBDRO CC(C)C[NH+]1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000301937959 273513279 /nfs/dbraw/zinc/51/32/79/273513279.db2.gz SHAHZKVCZVHBCZ-UHFFFAOYSA-N 1 0 304.354 1.416 20 5 DDBDRO COCC[N@@H+]1CCN(c2c3c(ccc2[N+](=O)[O-])NCC3)C[C@@H]1C ZINC000275376325 274030245 /nfs/dbraw/zinc/03/02/45/274030245.db2.gz OGKISFCVPGQIDW-LBPRGKRZSA-N 1 0 320.393 1.720 20 5 DDBDRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000269189553 274240225 /nfs/dbraw/zinc/24/02/25/274240225.db2.gz PGEXQKUKFZQQAM-NOZJJQNGSA-N 1 0 322.321 1.845 20 5 DDBDRO C[C@@H]1C[N@H+](CCO)CCN1c1ccnc2c1cccc2[N+](=O)[O-] ZINC000450949262 274348940 /nfs/dbraw/zinc/34/89/40/274348940.db2.gz AMDUUSOZTPNQDQ-GFCCVEGCSA-N 1 0 316.361 1.646 20 5 DDBDRO COCC(C)(C)[NH+]1CCN(c2ncc(C)cc2[N+](=O)[O-])CC1 ZINC000425283622 277481593 /nfs/dbraw/zinc/48/15/93/277481593.db2.gz UDHAIHDBHPDYFO-UHFFFAOYSA-N 1 0 308.382 1.845 20 5 DDBDRO C[C@@H](CNc1ccc2ncc([N+](=O)[O-])n2n1)C[NH+]1CCCC1 ZINC000302688252 278287405 /nfs/dbraw/zinc/28/74/05/278287405.db2.gz ULDKMBBPMXMYSC-NSHDSACASA-N 1 0 304.354 1.781 20 5 DDBDRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000290920594 279360491 /nfs/dbraw/zinc/36/04/91/279360491.db2.gz KILOQOKVQZKXNI-CYBMUJFWSA-N 1 0 322.409 1.876 20 5 DDBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)NCC[C@H]1CCC[NH2+]1 ZINC000444264064 279787543 /nfs/dbraw/zinc/78/75/43/279787543.db2.gz IDNYPMFECGMJHR-LLVKDONJSA-N 1 0 309.391 1.945 20 5 DDBDRO Cc1n[nH]c(C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000264194751 280187795 /nfs/dbraw/zinc/18/77/95/280187795.db2.gz OIXDPCHYZZQBJT-LLVKDONJSA-N 1 0 307.354 1.327 20 5 DDBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CCCn2ccnn2)n1 ZINC000447596144 280377493 /nfs/dbraw/zinc/37/74/93/280377493.db2.gz BMXIXQIFUGDWRL-OLZOCXBDSA-N 1 0 319.369 1.546 20 5 DDBDRO O=C(C[C@H]1CC[NH2+]C1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000130818897 281395194 /nfs/dbraw/zinc/39/51/94/281395194.db2.gz AOHKSIFYMLRTJT-VXGBXAGGSA-N 1 0 319.365 1.002 20 5 DDBDRO C[NH+](C)CC(C)(C)NC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000457941690 282060248 /nfs/dbraw/zinc/06/02/48/282060248.db2.gz HQHAJWJTELNIQG-UHFFFAOYSA-N 1 0 308.382 1.777 20 5 DDBDRO C[NH+](C)C1(CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000416307097 289045105 /nfs/dbraw/zinc/04/51/05/289045105.db2.gz JALCOQACEAWTRW-UHFFFAOYSA-N 1 0 316.361 1.829 20 5 DDBDRO C[C@@]1(CN2CCN(c3ncccc3[N+](=O)[O-])CC2)CC[NH2+]C1 ZINC000415093076 289165001 /nfs/dbraw/zinc/16/50/01/289165001.db2.gz BPETYZLUTZLCAI-OAHLLOKOSA-N 1 0 305.382 1.111 20 5 DDBDRO O=C(NCC1=CC[NH2+]CC1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000275116522 295635090 /nfs/dbraw/zinc/63/50/90/295635090.db2.gz IBQMRAMBVWCVLX-UHFFFAOYSA-N 1 0 319.317 1.016 20 5 DDBDRO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@H]3CCCC[C@@H]3O)CC2)n1 ZINC000573004354 304569815 /nfs/dbraw/zinc/56/98/15/304569815.db2.gz YHKBDFUOMCTISR-OCCSQVGLSA-N 1 0 308.382 1.979 20 5 DDBDRO O=[N+]([O-])c1ccc(CC[NH+]2CCN(c3cccnn3)CC2)cc1 ZINC000170649075 298219950 /nfs/dbraw/zinc/21/99/50/298219950.db2.gz JHXJTFMCNIBOFR-UHFFFAOYSA-N 1 0 313.361 1.750 20 5 DDBDRO O=C(NCc1ccccc1[N+](=O)[O-])c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000362559767 300096711 /nfs/dbraw/zinc/09/67/11/300096711.db2.gz LCBSCRMYARCDIN-JTQLQIEISA-N 1 0 315.333 1.325 20 5 DDBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)[C@H]1C[C@H]1[N+](=O)[O-] ZINC000363052878 300204337 /nfs/dbraw/zinc/20/43/37/300204337.db2.gz BFFUIIZGLKHCMK-VNQPRFMTSA-N 1 0 317.389 1.775 20 5 DDBDRO CC(C)(C)NC(=O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365520674 300527329 /nfs/dbraw/zinc/52/73/29/300527329.db2.gz YXEAWIOPQWMGNJ-UHFFFAOYSA-N 1 0 309.370 1.343 20 5 DDBDRO O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000366498024 300706530 /nfs/dbraw/zinc/70/65/30/300706530.db2.gz AQFHQHOPCKZION-JQWIXIFHSA-N 1 0 322.340 1.599 20 5 DDBDRO COc1ccc([C@H](C[NH3+])Cn2cccc([N+](=O)[O-])c2=O)cc1 ZINC000575057427 304709767 /nfs/dbraw/zinc/70/97/67/304709767.db2.gz WKEUQQITJBQEMP-GFCCVEGCSA-N 1 0 303.318 1.508 20 5 DDBDRO C[C@@H]1[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCC12CCOCC2 ZINC000368810577 301091670 /nfs/dbraw/zinc/09/16/70/301091670.db2.gz OOECYWHQNRSTFQ-JSGCOSHPSA-N 1 0 324.381 1.043 20 5 DDBDRO C[C@H]1[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCC12CCOCC2 ZINC000368810579 301091824 /nfs/dbraw/zinc/09/18/24/301091824.db2.gz OOECYWHQNRSTFQ-OCCSQVGLSA-N 1 0 324.381 1.043 20 5 DDBDRO CN1CC[NH+](C[C@H]2CCCN(c3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000369028597 301122199 /nfs/dbraw/zinc/12/21/99/301122199.db2.gz XHQWPJFHGWCGLR-CQSZACIVSA-N 1 0 319.409 1.454 20 5 DDBDRO O=C(NCc1ccccc1[N+](=O)[O-])C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000369940913 301243846 /nfs/dbraw/zinc/24/38/46/301243846.db2.gz YJVKIOZZANVSCQ-YHWZYXNKSA-N 1 0 317.345 1.026 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCCC[C@H]2Cn2cccn2)n1 ZINC000370027047 301261426 /nfs/dbraw/zinc/26/14/26/301261426.db2.gz NMCWFPGRRKLTIT-ZDUSSCGKSA-N 1 0 304.354 1.543 20 5 DDBDRO CC(C)(CCO)C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000575749221 304730492 /nfs/dbraw/zinc/73/04/92/304730492.db2.gz OHXRQUMFBBEQPA-GFCCVEGCSA-N 1 0 312.366 1.333 20 5 DDBDRO C[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000370469400 301345862 /nfs/dbraw/zinc/34/58/62/301345862.db2.gz CUEOTLHVBXFTEC-BEAPCOKYSA-N 1 0 303.362 1.431 20 5 DDBDRO CN(CC(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1)c1ccccc1[N+](=O)[O-] ZINC000373066280 301657695 /nfs/dbraw/zinc/65/76/95/301657695.db2.gz POWMVDQSMOAEID-CHWSQXEVSA-N 1 0 318.377 1.241 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2C[C@@H]3CCCCCC[C@H]32)c1 ZINC000375852255 302004651 /nfs/dbraw/zinc/00/46/51/302004651.db2.gz WLCXRYGDGQNBPW-NWANDNLSSA-N 1 0 308.382 1.807 20 5 DDBDRO CC(C)[N@@H+]1CCO[C@@H](C(=O)NCc2ccccc2[N+](=O)[O-])C1 ZINC000377647965 302203164 /nfs/dbraw/zinc/20/31/64/302203164.db2.gz WDRJPONZGXIKBW-CQSZACIVSA-N 1 0 307.350 1.320 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000377740575 302223607 /nfs/dbraw/zinc/22/36/07/302223607.db2.gz CQTVNLNXDJIHMS-WDEREUQCSA-N 1 0 305.334 1.285 20 5 DDBDRO COc1ccc(NC(=O)[C@@H](C)N2CC[NH2+][C@H](C)C2)c([N+](=O)[O-])c1 ZINC000420340585 302383237 /nfs/dbraw/zinc/38/32/37/302383237.db2.gz SVOQWHSFZOKCJM-GHMZBOCLSA-N 1 0 322.365 1.224 20 5 DDBDRO CC1CC[NH+](CCCNC(=O)c2cc([N+](=O)[O-])cn2C)CC1 ZINC000516836011 302797606 /nfs/dbraw/zinc/79/76/06/302797606.db2.gz IQXCYDPNRSNAKG-UHFFFAOYSA-N 1 0 308.382 1.785 20 5 DDBDRO [NH3+]CC1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000269199205 303371624 /nfs/dbraw/zinc/37/16/24/303371624.db2.gz XNDWYRQZSWIRLY-UHFFFAOYSA-N 1 0 321.333 1.177 20 5 DDBDRO CCO[C@H]1COCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000362009972 307012356 /nfs/dbraw/zinc/01/23/56/307012356.db2.gz BQVQQWOWJMTAQA-DOMZBBRYSA-N 1 0 310.350 1.887 20 5 DDBDRO Cc1c(CN2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cccc1[N+](=O)[O-] ZINC000363738551 307034877 /nfs/dbraw/zinc/03/48/77/307034877.db2.gz ZCGYVODJTJMQTE-IAGOWNOFSA-N 1 0 319.405 1.934 20 5 DDBDRO O=C1OCCC12CC[NH+](C[C@H](O)c1cccc([N+](=O)[O-])c1)CC2 ZINC000366657587 307078842 /nfs/dbraw/zinc/07/88/42/307078842.db2.gz VOKIUMABOGXXJR-AWEZNQCLSA-N 1 0 320.345 1.657 20 5 DDBDRO O=[N+]([O-])c1cccc(CS(=O)(=O)N[C@@H]2CCC[NH2+]CC2)c1 ZINC000368534758 307104663 /nfs/dbraw/zinc/10/46/63/307104663.db2.gz PMSLPVARRMSNHQ-GFCCVEGCSA-N 1 0 313.379 1.156 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000372919164 307176533 /nfs/dbraw/zinc/17/65/33/307176533.db2.gz NSSFQYFKWOVQCU-SMDDNHRTSA-N 1 0 305.334 1.184 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000376575955 307248379 /nfs/dbraw/zinc/24/83/79/307248379.db2.gz XRRVOOGMXXXCEK-SWLSCSKDSA-N 1 0 318.377 1.997 20 5 DDBDRO COCCC[N@@H+]1CCCN(c2ccc([N+](=O)[O-])c(C)n2)CC1 ZINC000378140212 307282842 /nfs/dbraw/zinc/28/28/42/307282842.db2.gz SPVCFUPJMVQCLD-UHFFFAOYSA-N 1 0 308.382 1.847 20 5 DDBDRO C[N@@H+]1CC[C@H]2OCCN(c3nc4sccn4c3[N+](=O)[O-])[C@H]2C1 ZINC000408028070 307298416 /nfs/dbraw/zinc/29/84/16/307298416.db2.gz CJENSKMOUNEANE-VHSXEESVSA-N 1 0 323.378 1.213 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)n1 ZINC000427252854 307302944 /nfs/dbraw/zinc/30/29/44/307302944.db2.gz ZBACYSYQQBXXMY-NEPJUHHUSA-N 1 0 323.397 1.804 20 5 DDBDRO C[C@]1(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CCOC1 ZINC000517732493 307436038 /nfs/dbraw/zinc/43/60/38/307436038.db2.gz JMOQZTCGCZTDOA-SWLSCSKDSA-N 1 0 310.350 1.351 20 5 DDBDRO CN(CCC[NH+](C)C)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000543682253 307709144 /nfs/dbraw/zinc/70/91/44/307709144.db2.gz OXSLJCWZJVCZFN-UHFFFAOYSA-N 1 0 308.382 1.730 20 5 DDBDRO C[C@@H]1CN(C[C@H](O)C[NH2+]Cc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000565299743 308027550 /nfs/dbraw/zinc/02/75/50/308027550.db2.gz LGJFEVQOWUHJGV-DVOMOZLQSA-N 1 0 323.393 1.155 20 5 DDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H]2CC[C@H](F)C2)cc1 ZINC000566131432 308045683 /nfs/dbraw/zinc/04/56/83/308045683.db2.gz ZBFXMEYRPUUXND-WDEREUQCSA-N 1 0 316.354 1.849 20 5 DDBDRO Cc1c(NC(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+])cccc1[N+](=O)[O-] ZINC000566227941 308050022 /nfs/dbraw/zinc/05/00/22/308050022.db2.gz QVWVMMOUOOOTQP-RKDXNWHRSA-N 1 0 308.338 1.084 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CCC[C@H]1CCOC1 ZINC000567696923 308091753 /nfs/dbraw/zinc/09/17/53/308091753.db2.gz KUOKMQHYPQMSGF-UONOGXRCSA-N 1 0 324.377 1.741 20 5 DDBDRO C[C@@H]1C[C@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000574071324 308260497 /nfs/dbraw/zinc/26/04/97/308260497.db2.gz DUDVUWQXZFRZGB-UPJWGTAASA-N 1 0 310.350 1.492 20 5 DDBDRO CC(C)(CCO)C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000575922793 308282597 /nfs/dbraw/zinc/28/25/97/308282597.db2.gz IYGGDCYUYPUNPJ-UHFFFAOYSA-N 1 0 309.366 1.922 20 5 DDBDRO COc1ccc(OCCN2CC[C@H]([NH3+])C[C@H]2C)c([N+](=O)[O-])c1 ZINC000576766227 308338405 /nfs/dbraw/zinc/33/84/05/308338405.db2.gz TUKSKCSBKIQOMS-NEPJUHHUSA-N 1 0 309.366 1.794 20 5 DDBDRO C[C@@H](C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C[C@H](C)O ZINC000578987562 308499005 /nfs/dbraw/zinc/49/90/05/308499005.db2.gz GLCHESYBVGMSNF-MBNYWOFBSA-N 1 0 312.366 1.331 20 5 DDBDRO COC[C@H](C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])OC ZINC000582482665 337096776 /nfs/dbraw/zinc/09/67/76/337096776.db2.gz OSNHPBPQMJEDAA-NSHDSACASA-N 1 0 311.338 1.174 20 5 DDBDRO C[C@@H](C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])C[C@H](C)O ZINC000582486213 337097500 /nfs/dbraw/zinc/09/75/00/337097500.db2.gz HVHRTTCSDCJQHK-AGIUHOORSA-N 1 0 312.366 1.331 20 5 DDBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000598453198 501075982 /nfs/dbraw/zinc/07/59/82/501075982.db2.gz PZCFVWQXZXBOJP-HNNXBMFYSA-N 1 0 319.361 1.266 20 5 DDBDRO COC(=O)c1cc(NC(=O)[C@@H]2C[C@H](C)CC[NH2+]2)cc([N+](=O)[O-])c1 ZINC000422998207 533883358 /nfs/dbraw/zinc/88/33/58/533883358.db2.gz CPCBBABHLKBHEW-RNCFNFMXSA-N 1 0 321.333 1.708 20 5 DDBDRO C[C@@H]1C[C@H](N(C)C(=O)c2cc([N+](=O)[O-])cnc2N)CC[N@@H+]1C ZINC000330790358 533895987 /nfs/dbraw/zinc/89/59/87/533895987.db2.gz AOGWGFBYFQORTF-NXEZZACHSA-N 1 0 307.354 1.127 20 5 DDBDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(CCn2cc([N+](=O)[O-])cn2)C[C@@H](C)C1 ZINC000428988700 534033935 /nfs/dbraw/zinc/03/39/35/534033935.db2.gz ARZCVJZOSYXDDJ-UMVBOHGHSA-N 1 0 307.398 1.453 20 5 DDBDRO O=C(NCCNc1ccc([N+](=O)[O-])cc1)[C@H]1C[C@]12CC[NH2+]C2 ZINC000444138909 534360197 /nfs/dbraw/zinc/36/01/97/534360197.db2.gz JNRAJXNGSNCDOG-HIFRSBDPSA-N 1 0 304.350 1.123 20 5 DDBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCC[NH2+]C1 ZINC000417234435 534462731 /nfs/dbraw/zinc/46/27/31/534462731.db2.gz PSHRMTIJYFCDPT-ZDUSSCGKSA-N 1 0 306.366 1.436 20 5 DDBDRO Cc1nc(NCCN2CC[N@@H+](C)C(C)(C)C2)ncc1[N+](=O)[O-] ZINC000296691722 534489986 /nfs/dbraw/zinc/48/99/86/534489986.db2.gz CYCNWUSMDNJKKH-UHFFFAOYSA-N 1 0 308.386 1.131 20 5 DDBDRO CC[NH+]1CCC(N(C)CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000157504891 521561617 /nfs/dbraw/zinc/56/16/17/521561617.db2.gz VYSJQYBEJZMMJI-UHFFFAOYSA-N 1 0 320.393 1.949 20 5 DDBDRO Cc1cccc(C(=O)NC[C@H]2CCC[N@@H+]2CCCO)c1[N+](=O)[O-] ZINC000452345522 534608288 /nfs/dbraw/zinc/60/82/88/534608288.db2.gz FFOFPWADSJTUSW-CYBMUJFWSA-N 1 0 321.377 1.480 20 5 DDBDRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000156572668 525009566 /nfs/dbraw/zinc/00/95/66/525009566.db2.gz KKPPTQDYNIIYOS-GHMZBOCLSA-N 1 0 309.370 1.112 20 5 DDBDRO O=[N+]([O-])c1cnc(NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)nc1 ZINC000302214021 534888688 /nfs/dbraw/zinc/88/86/88/534888688.db2.gz IDNXKWSMNMKUBX-ZIAGYGMSSA-N 1 0 321.381 1.565 20 5 DDBDRO CC[N@@H+]1CC[C@@H](NC(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)C1 ZINC000412836461 527793251 /nfs/dbraw/zinc/79/32/51/527793251.db2.gz ISOHBVHTMUDFFQ-LLVKDONJSA-N 1 0 323.349 1.436 20 5 DDBDRO CCOC(=O)[C@@H]1NCC[C@H]1[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000422948599 527913688 /nfs/dbraw/zinc/91/36/88/527913688.db2.gz ROVRCLZHNFSMBX-ZLKJLUDKSA-N 1 0 307.350 1.539 20 5 DDBDRO CC(C)[C@@H](C(=O)NCCNc1ccc([N+](=O)[O-])cc1)[C@H](C)[NH3+] ZINC000422931662 528362574 /nfs/dbraw/zinc/36/25/74/528362574.db2.gz CHGWEIZDJIZCJU-SMDDNHRTSA-N 1 0 308.382 1.742 20 5 DDBDRO CCCNC(=O)CC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447527597 528372708 /nfs/dbraw/zinc/37/27/08/528372708.db2.gz FKWNVLZZWAGRFV-STQMWFEESA-N 1 0 323.397 1.781 20 5 DDBDRO CCOc1ccc(C(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000435232337 528388611 /nfs/dbraw/zinc/38/86/11/528388611.db2.gz KWAIPZYGDKDOFD-CYBMUJFWSA-N 1 0 319.361 1.960 20 5 DDBDRO CCOC1(C)CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000428729202 528449523 /nfs/dbraw/zinc/44/95/23/528449523.db2.gz MOMMKVCPEKGGCS-ZDUSSCGKSA-N 1 0 312.370 1.043 20 5 DDBDRO CCC[NH2+]CCNC(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000417198979 528497918 /nfs/dbraw/zinc/49/79/18/528497918.db2.gz XJLIUMKUVOLYAK-UHFFFAOYSA-N 1 0 310.354 1.402 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@H](CC[NH3+])C(F)F)c1 ZINC000423671088 528612522 /nfs/dbraw/zinc/61/25/22/528612522.db2.gz BRTBBHHIARQFIN-SNVBAGLBSA-N 1 0 317.292 1.706 20 5 DDBDRO CC(C)NC(=O)CC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447533070 529125150 /nfs/dbraw/zinc/12/51/50/529125150.db2.gz YROGHPWPXAVRPH-STQMWFEESA-N 1 0 323.397 1.779 20 5 DDBDRO C[C@H]1CCC[N@@H+]1CCNc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000820715714 599083893 /nfs/dbraw/zinc/08/38/93/599083893.db2.gz DNGHYCJVMXTLAG-JTQLQIEISA-N 1 0 317.353 1.671 20 5 DDBDRO CC[C@H](C)[N@H+](C)CCNc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000736324695 598420488 /nfs/dbraw/zinc/42/04/88/598420488.db2.gz HPRQLMWGUMSUQN-JTQLQIEISA-N 1 0 319.369 1.917 20 5 DDBDRO CC[NH+](CC)C[C@H](C)Nc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC000821182138 606702641 /nfs/dbraw/zinc/70/26/41/606702641.db2.gz RVPHPWZYNCENQC-VIFPVBQESA-N 1 0 320.357 1.312 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)NC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000054534041 696276902 /nfs/dbraw/zinc/27/69/02/696276902.db2.gz YWZCOLXRMAYNJM-UHFFFAOYSA-N 1 0 322.321 1.635 20 5 DDBDRO CCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000071312717 696391588 /nfs/dbraw/zinc/39/15/88/696391588.db2.gz MLLSAVDEFWRAEF-NSHDSACASA-N 1 0 313.379 1.276 20 5 DDBDRO C[C@@H]([NH2+]CC(=O)N1CCO[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000180442081 697448846 /nfs/dbraw/zinc/44/88/46/697448846.db2.gz DXPITZARENTOPK-NWDGAFQWSA-N 1 0 307.350 1.493 20 5 DDBDRO CC(C)[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000195129998 697732000 /nfs/dbraw/zinc/73/20/00/697732000.db2.gz TZMPFDYBECKJDO-UHFFFAOYSA-N 1 0 306.366 1.780 20 5 DDBDRO CC1(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)OCCO1 ZINC000774265516 697860609 /nfs/dbraw/zinc/86/06/09/697860609.db2.gz FMAYIHYTDDOWNJ-RYUDHWBXSA-N 1 0 310.354 1.628 20 5 DDBDRO Cn1nccc1CC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000774361387 697872068 /nfs/dbraw/zinc/87/20/68/697872068.db2.gz XSUHSQDNYJRWCM-KGLIPLIRSA-N 1 0 318.381 1.841 20 5 DDBDRO O=c1cc2c(n[nH]1)CC[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC000775777998 698031244 /nfs/dbraw/zinc/03/12/44/698031244.db2.gz STIZPTWHCBAIMG-AWEZNQCLSA-N 1 0 316.317 1.182 20 5 DDBDRO CCOC[C@H]1CC[N@H+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C1 ZINC000749959911 700195489 /nfs/dbraw/zinc/19/54/89/700195489.db2.gz SEKHETXHGGGZQL-LBPRGKRZSA-N 1 0 319.365 1.964 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CC[C@H](n3cncn3)C2)cc1 ZINC000776879239 698145194 /nfs/dbraw/zinc/14/51/94/698145194.db2.gz SKVWYKBZUYXXPZ-KBPBESRZSA-N 1 0 303.322 1.167 20 5 DDBDRO CS[C@H](CO)[C@H](C)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000300703299 698600401 /nfs/dbraw/zinc/60/04/01/698600401.db2.gz KCQHQEFHDMJXOP-TVYUQYBPSA-N 1 0 300.380 1.330 20 5 DDBDRO C[NH+](C)C1(CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CCC1 ZINC000783750989 698873109 /nfs/dbraw/zinc/87/31/09/698873109.db2.gz CMMOMUZWGSFOMB-UHFFFAOYSA-N 1 0 322.321 1.717 20 5 DDBDRO COC(=O)[C@@H]1CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@@H]1C ZINC000787328291 699206048 /nfs/dbraw/zinc/20/60/48/699206048.db2.gz QKQBRDZKFRECBF-HONMWMINSA-N 1 0 308.334 1.512 20 5 DDBDRO C[C@H]([NH2+]C[C@@]1(CCO)CCOC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788630903 699329157 /nfs/dbraw/zinc/32/91/57/699329157.db2.gz JPAGVYZOXREPCO-XHDPSFHLSA-N 1 0 309.366 1.617 20 5 DDBDRO CC[NH+]1CCN(CCNc2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC1 ZINC000804346415 701181333 /nfs/dbraw/zinc/18/13/33/701181333.db2.gz UIYGFDQOFSEBMC-UHFFFAOYSA-N 1 0 323.353 1.552 20 5 DDBDRO O=[N+]([O-])c1c(N2CCC([NH2+]C3CC3)CC2)nc2ccccn21 ZINC000770447463 701278289 /nfs/dbraw/zinc/27/82/89/701278289.db2.gz XMNDGBSLRRUKOA-UHFFFAOYSA-N 1 0 301.350 1.963 20 5 DDBDRO COC(=O)C[C@]1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCOC1 ZINC000770675954 701289238 /nfs/dbraw/zinc/28/92/38/701289238.db2.gz GNJJIEBMLCOHAU-OAHLLOKOSA-N 1 0 308.334 1.797 20 5 DDBDRO O=C1[C@@H]([NH2+][C@H](CO)C2CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000771812344 701332366 /nfs/dbraw/zinc/33/23/66/701332366.db2.gz HMLNNPYFCUEOOS-UONOGXRCSA-N 1 0 305.334 1.061 20 5 DDBDRO O=C(C[NH2+][C@H](CO)C1CC1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000771812831 701332408 /nfs/dbraw/zinc/33/24/08/701332408.db2.gz KCRRUKMQBZOBCV-LLVKDONJSA-N 1 0 313.741 1.547 20 5 DDBDRO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](CO)C2CC2)c([N+](=O)[O-])c1 ZINC000771817605 701332963 /nfs/dbraw/zinc/33/29/63/701332963.db2.gz HQVJPHLQMNBDML-NOZJJQNGSA-N 1 0 323.349 1.291 20 5 DDBDRO CC1(C)CCC(=O)N1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000808182109 701505866 /nfs/dbraw/zinc/50/58/66/701505866.db2.gz RAUJVXKWCJZBTA-UHFFFAOYSA-N 1 0 321.381 1.787 20 5 DDBDRO Cc1ccc(CNC(=O)C[NH2+]C[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000867996132 701879941 /nfs/dbraw/zinc/87/99/41/701879941.db2.gz QUGPSBCYUZCZCP-CYBMUJFWSA-N 1 0 307.350 1.288 20 5 DDBDRO CN(CC[NH+]1CC2(C1)CCOCC2)c1ncccc1[N+](=O)[O-] ZINC000866256338 706658958 /nfs/dbraw/zinc/65/89/58/706658958.db2.gz KEYUOFPZMNHSKP-UHFFFAOYSA-N 1 0 306.366 1.538 20 5 DDBDRO O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000841066295 702333125 /nfs/dbraw/zinc/33/31/25/702333125.db2.gz ZYVJESPAMCDDBT-UMVBOHGHSA-N 1 0 301.346 1.663 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@H]3CNCCO3)CC2)cc1 ZINC000841101306 702347270 /nfs/dbraw/zinc/34/72/70/702347270.db2.gz RXLALHYMNBWMHK-MRXNPFEDSA-N 1 0 320.393 1.142 20 5 DDBDRO C[N@@H+]1CC[C@@]2(CCN(c3nc4ccccn4c3[N+](=O)[O-])C2)C1 ZINC000813635638 702388082 /nfs/dbraw/zinc/38/80/82/702388082.db2.gz AHDHBKLIAMWTCE-OAHLLOKOSA-N 1 0 301.350 1.775 20 5 DDBDRO C[C@@H](CNS(=O)(=O)c1csc([N+](=O)[O-])c1)C[NH+](C)C ZINC000813730719 702407177 /nfs/dbraw/zinc/40/71/77/702407177.db2.gz ULDKURRZQQYNGQ-QMMMGPOBSA-N 1 0 307.397 1.132 20 5 DDBDRO C[C@H](CC[NH3+])NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000841967660 702639436 /nfs/dbraw/zinc/63/94/36/702639436.db2.gz PTBOXGSSZUKZEH-GFCCVEGCSA-N 1 0 321.381 1.164 20 5 DDBDRO CC(C)[N@@H+]1CCC[C@H](COC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000842831984 702781328 /nfs/dbraw/zinc/78/13/28/702781328.db2.gz RBAKTGUMUXOBEL-ZDUSSCGKSA-N 1 0 324.381 1.845 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@@H](CO)CC(F)(F)F)cc1 ZINC000843089418 702816315 /nfs/dbraw/zinc/81/63/15/702816315.db2.gz STZINOKUGFISFB-KOLCDFICSA-N 1 0 308.256 1.531 20 5 DDBDRO Cc1ccc([C@@H](O)C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)o1 ZINC000843089838 702816784 /nfs/dbraw/zinc/81/67/84/702816784.db2.gz TVHYKYVSQFWDMM-KGLIPLIRSA-N 1 0 306.318 1.853 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@H]2CCCN(CCCO)C2)cc1 ZINC000843094852 702818177 /nfs/dbraw/zinc/81/81/77/702818177.db2.gz LYRMZBKMIATLIA-HOCLYGCPSA-N 1 0 323.393 1.065 20 5 DDBDRO Nc1ccc(-c2noc(C[C@@H]3CSCC[NH2+]3)n2)cc1[N+](=O)[O-] ZINC000843169831 702832569 /nfs/dbraw/zinc/83/25/69/702832569.db2.gz SHFXAOBPWZNNMR-SECBINFHSA-N 1 0 321.362 1.475 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N[C@H](C[NH3+])CC(C)C)cc1[N+](=O)[O-] ZINC000843345009 702863419 /nfs/dbraw/zinc/86/34/19/702863419.db2.gz MDXOMXPDBWBRPB-NSHDSACASA-N 1 0 324.337 1.915 20 5 DDBDRO C[C@@H]1CN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@H](C)[NH2+]1 ZINC000843351779 702864690 /nfs/dbraw/zinc/86/46/90/702864690.db2.gz DCYSTDTZDHSADI-PHIMTYICSA-N 1 0 324.356 1.745 20 5 DDBDRO C[C@@H]([NH3+])[C@@H](C)NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000843487306 702891292 /nfs/dbraw/zinc/89/12/92/702891292.db2.gz OHDDOFWFMRFZHT-RNFRBKRXSA-N 1 0 303.721 1.782 20 5 DDBDRO CCCN(C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CC[N@H+](C)C1 ZINC000843987272 702949293 /nfs/dbraw/zinc/94/92/93/702949293.db2.gz DLDPBLSKNZATNL-GJZGRUSLSA-N 1 0 321.377 1.571 20 5 DDBDRO Cc1c(-c2noc([C@H](N)CC[NH+](C)C)n2)cccc1[N+](=O)[O-] ZINC000844920018 703085207 /nfs/dbraw/zinc/08/52/07/703085207.db2.gz PUDGOTNODIDWNB-LLVKDONJSA-N 1 0 305.338 1.905 20 5 DDBDRO Cc1ccc(N2CCN(CC[NH+](C)C)C(=O)C2)c([N+](=O)[O-])c1 ZINC000845632795 703185099 /nfs/dbraw/zinc/18/50/99/703185099.db2.gz BNPBCJOEZDMICK-UHFFFAOYSA-N 1 0 306.366 1.113 20 5 DDBDRO C[NH+]1CCC2(CCN2C(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000846636523 703305947 /nfs/dbraw/zinc/30/59/47/703305947.db2.gz NIETUXQCKCMCAE-UHFFFAOYSA-N 1 0 321.352 1.973 20 5 DDBDRO COCC[NH+]1CCC(OC(=O)c2cc([N+](=O)[O-])cn2C)CC1 ZINC000847881943 703480482 /nfs/dbraw/zinc/48/04/82/703480482.db2.gz WWJWXSVMUSSYBW-UHFFFAOYSA-N 1 0 311.338 1.201 20 5 DDBDRO C[NH+](C)CCCS(=O)(=O)Oc1ccc([N+](=O)[O-])c(F)c1 ZINC000866642411 706749269 /nfs/dbraw/zinc/74/92/69/706749269.db2.gz KXPAZEWOUGFCRO-UHFFFAOYSA-N 1 0 306.315 1.394 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@H]1CN(C2CC2)C(=O)O1 ZINC000848577137 703564420 /nfs/dbraw/zinc/56/44/20/703564420.db2.gz JBZCQRHOQZCESP-AWEZNQCLSA-N 1 0 305.334 1.976 20 5 DDBDRO Cn1c(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])cnc1Cl ZINC000848909895 703602319 /nfs/dbraw/zinc/60/23/19/703602319.db2.gz CEHAHBNNIQNNRI-UHFFFAOYSA-N 1 0 309.757 1.947 20 5 DDBDRO Nc1ccc(C(=O)N2CC[NH2+]C3(CCCCC3)C2)cc1[N+](=O)[O-] ZINC000848941896 703605571 /nfs/dbraw/zinc/60/55/71/703605571.db2.gz NDNNWRUKELBTIL-UHFFFAOYSA-N 1 0 318.377 1.925 20 5 DDBDRO [NH3+]CC12CC(C1)CN2C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000851657686 703824081 /nfs/dbraw/zinc/82/40/81/703824081.db2.gz JTVLGCSJRUCQDL-UHFFFAOYSA-N 1 0 324.768 1.881 20 5 DDBDRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000869786230 703853533 /nfs/dbraw/zinc/85/35/33/703853533.db2.gz XXYVNVJCTHRLEQ-LBPRGKRZSA-N 1 0 307.350 1.170 20 5 DDBDRO O=C(NCCC[C@@H]1CCC[NH2+]1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000818594716 703933887 /nfs/dbraw/zinc/93/38/87/703933887.db2.gz MUTPFNNRQZLALU-NSHDSACASA-N 1 0 322.321 1.765 20 5 DDBDRO COc1ncccc1C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818947479 704031934 /nfs/dbraw/zinc/03/19/34/704031934.db2.gz NUPURXCYSJJDAX-CQSZACIVSA-N 1 0 303.318 1.822 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CCCOC2CCOCC2)cc1 ZINC000819101425 704069655 /nfs/dbraw/zinc/06/96/55/704069655.db2.gz UELYNAKDTSPWML-MRXNPFEDSA-N 1 0 324.377 1.804 20 5 DDBDRO CCC[C@@H](C)C(=O)NCC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819328668 704108265 /nfs/dbraw/zinc/10/82/65/704108265.db2.gz CXGFLOAPXWZHDY-DOMZBBRYSA-N 1 0 323.393 1.770 20 5 DDBDRO CO[C@@H]1COCC[C@H]1C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819343723 704110550 /nfs/dbraw/zinc/11/05/50/704110550.db2.gz ATTXPRDJYJFKOI-AEGPPILISA-N 1 0 310.350 1.269 20 5 DDBDRO COc1cccnc1C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819357155 704112064 /nfs/dbraw/zinc/11/20/64/704112064.db2.gz NJFLUQFXBFYXRH-CQSZACIVSA-N 1 0 303.318 1.822 20 5 DDBDRO C[NH+](C)CCC[C@H]1CN(c2ccc(N)cc2[N+](=O)[O-])CCO1 ZINC000853990139 704344616 /nfs/dbraw/zinc/34/46/16/704344616.db2.gz JCDNUAPVFWZSEB-ZDUSSCGKSA-N 1 0 308.382 1.724 20 5 DDBDRO CC[NH+]1CCN(CCC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000854496264 704407899 /nfs/dbraw/zinc/40/78/99/704407899.db2.gz CQBKREVRPGCUAO-UHFFFAOYSA-N 1 0 321.381 1.143 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](C)C[NH+](C)C ZINC000821508229 704418821 /nfs/dbraw/zinc/41/88/21/704418821.db2.gz QAUPYCYKYHOOEZ-JTQLQIEISA-N 1 0 310.354 1.923 20 5 DDBDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000855164306 704471936 /nfs/dbraw/zinc/47/19/36/704471936.db2.gz HZWMLGKGQDZONT-LLVKDONJSA-N 1 0 306.366 1.780 20 5 DDBDRO C[NH2+][C@@H]1CCN(C(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)C1 ZINC000857762984 704621741 /nfs/dbraw/zinc/62/17/41/704621741.db2.gz KTVHLCKNLXEZAO-SECBINFHSA-N 1 0 315.276 1.387 20 5 DDBDRO CON(C)C(=O)[C@H](C)[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000858579832 704729553 /nfs/dbraw/zinc/72/95/53/704729553.db2.gz ULTXVSIZAGNFEY-RYUDHWBXSA-N 1 0 309.366 1.914 20 5 DDBDRO CC[N@H+]1[C@H](C)CN(C(=O)Cn2c(C)ncc2[N+](=O)[O-])C[C@@H]1C ZINC000824221683 705402505 /nfs/dbraw/zinc/40/25/05/705402505.db2.gz KTTOAVHLDWOZSH-PHIMTYICSA-N 1 0 309.370 1.041 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C[C@@H]21 ZINC000824893155 705553174 /nfs/dbraw/zinc/55/31/74/705553174.db2.gz MCNAQRPXTBOSCX-RISCZKNCSA-N 1 0 306.322 1.639 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1CN1CC[NH+](C[C@H](C)O)CC1 ZINC000876687783 705820464 /nfs/dbraw/zinc/82/04/64/705820464.db2.gz RYQCIKPSFHTOAZ-ZDUSSCGKSA-N 1 0 307.394 1.710 20 5 DDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@@H](O)c3cccc(F)c3)C2)c1 ZINC000876988851 705950064 /nfs/dbraw/zinc/95/00/64/705950064.db2.gz OEMUSACVLBTOPL-SSDMNJCBSA-N 1 0 320.324 1.957 20 5 DDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@H](O)c3cccc(F)c3)C2)c1 ZINC000876988850 705950288 /nfs/dbraw/zinc/95/02/88/705950288.db2.gz OEMUSACVLBTOPL-PIMMBPRGSA-N 1 0 320.324 1.957 20 5 DDBDRO Cc1c(CC(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)cccc1[N+](=O)[O-] ZINC000877277821 706045891 /nfs/dbraw/zinc/04/58/91/706045891.db2.gz PDFGUWFMSHTTTB-ZFWWWQNUSA-N 1 0 303.362 1.799 20 5 DDBDRO COc1ccc(CC(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)cc1[N+](=O)[O-] ZINC000877279690 706046693 /nfs/dbraw/zinc/04/66/93/706046693.db2.gz FAAGZKFYPLOWSV-OLZOCXBDSA-N 1 0 319.361 1.499 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000877394944 706094091 /nfs/dbraw/zinc/09/40/91/706094091.db2.gz XRTAZRSAYRYVDD-UKRRQHHQSA-N 1 0 323.324 1.514 20 5 DDBDRO Cc1noc(CN2CCN(c3cc[nH+]cc3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000880258145 706923021 /nfs/dbraw/zinc/92/30/21/706923021.db2.gz CZDMSQXPHDLWOV-NSHDSACASA-N 1 0 317.349 1.997 20 5 DDBDRO C[NH2+][C@H]1CCCN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000832566412 706941506 /nfs/dbraw/zinc/94/15/06/706941506.db2.gz ZTAXHVNUMXZYEX-LBPRGKRZSA-N 1 0 317.349 1.155 20 5 DDBDRO CCO[C@H](CN[C@H](C)c1ccc(N)c([N+](=O)[O-])c1)C[NH+](C)C ZINC000926964185 712923359 /nfs/dbraw/zinc/92/33/59/712923359.db2.gz WKIYALGJDGAGJN-DGCLKSJQSA-N 1 0 310.398 1.794 20 5 DDBDRO C[C@H]1C[C@H](NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CC[NH2+]1 ZINC000834682800 707102383 /nfs/dbraw/zinc/10/23/83/707102383.db2.gz XQNKSPLTBDRRCN-CMPLNLGQSA-N 1 0 317.349 1.201 20 5 DDBDRO CS[C@H]1C[C@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000872224902 707337081 /nfs/dbraw/zinc/33/70/81/707337081.db2.gz QRKBQTZBTOXEMM-MPKXVKKWSA-N 1 0 312.391 1.818 20 5 DDBDRO CC1(C)CO[C@@H](C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000872243746 707346416 /nfs/dbraw/zinc/34/64/16/707346416.db2.gz UZMBYGKDVPZFRK-CHWSQXEVSA-N 1 0 324.377 1.739 20 5 DDBDRO C[N@H+](CCCO)C1CCN(c2ccnc(F)c2[N+](=O)[O-])CC1 ZINC000881985568 707454878 /nfs/dbraw/zinc/45/48/78/707454878.db2.gz OZXNVHIPYVQHJD-UHFFFAOYSA-N 1 0 312.345 1.412 20 5 DDBDRO Cc1cc(F)cc(C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)c1[N+](=O)[O-] ZINC000837307073 707617777 /nfs/dbraw/zinc/61/77/77/707617777.db2.gz XYQCWTAPSBBZGP-MNOVXSKESA-N 1 0 307.325 1.724 20 5 DDBDRO Cc1c(C[NH2+]CC2(CS(C)(=O)=O)CC2)cccc1[N+](=O)[O-] ZINC000873071752 707718721 /nfs/dbraw/zinc/71/87/21/707718721.db2.gz PVKWAIVHIIUHPY-UHFFFAOYSA-N 1 0 312.391 1.818 20 5 DDBDRO COC[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCOC1 ZINC000883186848 707950993 /nfs/dbraw/zinc/95/09/93/707950993.db2.gz AJNPTKKHCMMOQD-VNQPRFMTSA-N 1 0 324.377 1.659 20 5 DDBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000883468557 708009915 /nfs/dbraw/zinc/00/99/15/708009915.db2.gz WHFFAAJYPHVNAU-CYBMUJFWSA-N 1 0 306.366 1.531 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C2(CO)CCSCC2)cc1 ZINC000839180989 708033965 /nfs/dbraw/zinc/03/39/65/708033965.db2.gz VNOFFFNCCHBWHS-CYBMUJFWSA-N 1 0 312.391 1.476 20 5 DDBDRO C[N@H+](CCO)CCNc1ccc([N+](=O)[O-])cc1OC(F)F ZINC000884825304 708388431 /nfs/dbraw/zinc/38/84/31/708388431.db2.gz PESXUNDSOUYFRZ-UHFFFAOYSA-N 1 0 305.281 1.532 20 5 DDBDRO COC(=O)[C@H]1CC12CC[NH+](Cc1cccnc1[N+](=O)[O-])CC2 ZINC000886010940 708681685 /nfs/dbraw/zinc/68/16/85/708681685.db2.gz SWVFQBUHERIZCS-GFCCVEGCSA-N 1 0 305.334 1.765 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC([NH+]2CCCC2)C1 ZINC000898603091 708807110 /nfs/dbraw/zinc/80/71/10/708807110.db2.gz IXSDHBJCELJJQR-UHFFFAOYSA-N 1 0 305.334 1.524 20 5 DDBDRO CCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@@H]1CC[NH2+]C1 ZINC000886858421 708867213 /nfs/dbraw/zinc/86/72/13/708867213.db2.gz ZYJGEMYNKWOEEH-GFCCVEGCSA-N 1 0 322.365 1.226 20 5 DDBDRO COC(=O)N[C@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000886863839 708870307 /nfs/dbraw/zinc/87/03/07/708870307.db2.gz VLYVERXSWWUILU-NSHDSACASA-N 1 0 309.322 1.404 20 5 DDBDRO O=c1c2cc([N+](=O)[O-])sc2ncn1C[C@@H]1CCCC[NH2+]C1 ZINC000899629758 709131212 /nfs/dbraw/zinc/13/12/12/709131212.db2.gz JYPHTYLSLOIILQ-SECBINFHSA-N 1 0 308.363 1.756 20 5 DDBDRO C[N@H+](CCO)CCNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000899728737 709178726 /nfs/dbraw/zinc/17/87/26/709178726.db2.gz VXPAUDBZGBKYEF-UHFFFAOYSA-N 1 0 323.374 1.463 20 5 DDBDRO Cc1c(NC(=O)C2C[NH+](C3CCOCC3)C2)cccc1[N+](=O)[O-] ZINC000899935414 709243001 /nfs/dbraw/zinc/24/30/01/709243001.db2.gz KFZIMJJHRGJJLY-UHFFFAOYSA-N 1 0 319.361 1.953 20 5 DDBDRO Cc1cc(F)cc(C(=O)N2CC[C@H]([NH+]3CCC3)C2)c1[N+](=O)[O-] ZINC000912916066 713123154 /nfs/dbraw/zinc/12/31/54/713123154.db2.gz TZHYOZLIUBQUAV-LBPRGKRZSA-N 1 0 307.325 1.963 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@]1(C)C[NH+]2CCC1CC2 ZINC000892796691 710501279 /nfs/dbraw/zinc/50/12/79/710501279.db2.gz JDLKFPVFGKSKKR-OAHLLOKOSA-N 1 0 304.350 1.512 20 5 DDBDRO C[C@@H]1[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000928430891 713192290 /nfs/dbraw/zinc/19/22/90/713192290.db2.gz JUQJTQLZXFDYKF-AQNFWKISSA-N 1 0 303.362 1.907 20 5 DDBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H]1C[NH2+]CC1(C)C ZINC000902445875 710756643 /nfs/dbraw/zinc/75/66/43/710756643.db2.gz NCPKVORKZZBPKK-BXUZGUMPSA-N 1 0 320.393 1.900 20 5 DDBDRO O=[N+]([O-])c1cccnc1N1CCN(c2cc[nH+]cc2CO)CC1 ZINC000894133861 710981046 /nfs/dbraw/zinc/98/10/46/710981046.db2.gz LSIRHUFYIVOWFA-UHFFFAOYSA-N 1 0 315.333 1.204 20 5 DDBDRO C[NH2+]C1CCN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000911787445 710988533 /nfs/dbraw/zinc/98/85/33/710988533.db2.gz QQPSFLAIICZDSC-UHFFFAOYSA-N 1 0 309.341 1.877 20 5 DDBDRO C[C@@](C[NH3+])(NC(=O)CCc1cc(F)ccc1[N+](=O)[O-])C1CC1 ZINC000911801317 711000446 /nfs/dbraw/zinc/00/04/46/711000446.db2.gz CDNMJYDYQJYNFY-HNNXBMFYSA-N 1 0 309.341 1.910 20 5 DDBDRO COC(=O)[C@H]1[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1(F)F ZINC000894385511 711098080 /nfs/dbraw/zinc/09/80/80/711098080.db2.gz ODQZAIHONXKVEE-WDEREUQCSA-N 1 0 300.261 1.739 20 5 DDBDRO Cn1nc2c(c1CN(CC[NH3+])c1ccc([N+](=O)[O-])cc1)CCC2 ZINC000894454048 711128075 /nfs/dbraw/zinc/12/80/75/711128075.db2.gz LFTTZEIHRMLHLN-UHFFFAOYSA-N 1 0 315.377 1.782 20 5 DDBDRO C[C@H]1[C@H](Nc2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])CC[N@@H+]1C ZINC000895737550 711590884 /nfs/dbraw/zinc/59/08/84/711590884.db2.gz BJCXSFDWTZCKML-CMPLNLGQSA-N 1 0 316.361 1.951 20 5 DDBDRO Cc1cccc(C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCN2C)c1[N+](=O)[O-] ZINC000896581026 711758185 /nfs/dbraw/zinc/75/81/85/711758185.db2.gz FUJHYOMQCJFABI-OCCSQVGLSA-N 1 0 320.393 1.267 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@]12CC[NH2+]C2 ZINC000904421067 711855970 /nfs/dbraw/zinc/85/59/70/711855970.db2.gz NKAAOTSMLYKXES-OAHLLOKOSA-N 1 0 320.349 1.963 20 5 DDBDRO Cc1c(NC(=O)C2CN(C)CC[N@H+](C)C2)cccc1[N+](=O)[O-] ZINC000905083904 711930641 /nfs/dbraw/zinc/93/06/41/711930641.db2.gz IERYSRDHHKWWHL-UHFFFAOYSA-N 1 0 306.366 1.335 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1[C@H](C)C[N@H+](C)[C@H](C)[C@H]1C ZINC000905984563 712209673 /nfs/dbraw/zinc/20/96/73/712209673.db2.gz NCNNTYGLVNKZES-GMTAPVOTSA-N 1 0 309.370 1.039 20 5 DDBDRO C[C@@H]1[C@H](NC(=O)NCCNc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000913930631 713321484 /nfs/dbraw/zinc/32/14/84/713321484.db2.gz KEDWXUQPKIHLSM-BXUZGUMPSA-N 1 0 321.381 1.399 20 5 DDBDRO C[N@@H+]1CC[C@@H]1CNC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000913933987 713321965 /nfs/dbraw/zinc/32/19/65/713321965.db2.gz YCFXHZKTPVRYJD-LLVKDONJSA-N 1 0 307.354 1.010 20 5 DDBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000908123562 712693433 /nfs/dbraw/zinc/69/34/33/712693433.db2.gz CUROJBWGSDJAMX-CJNGLKHVSA-N 1 0 321.377 1.051 20 5 DDBDRO O=C(C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)Nc1ccccc1 ZINC000916570641 713458277 /nfs/dbraw/zinc/45/82/77/713458277.db2.gz JMULDKWLGRAANE-OAHLLOKOSA-N 1 0 315.329 1.857 20 5 DDBDRO C[C@H]([NH2+]CC(=O)N1CCOC(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000930595668 713872500 /nfs/dbraw/zinc/87/25/00/713872500.db2.gz WFVZRAHNSFGALZ-LBPRGKRZSA-N 1 0 321.377 1.883 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000930785081 713920344 /nfs/dbraw/zinc/92/03/44/713920344.db2.gz OHDXAVGORMMGNE-UHFFFAOYSA-N 1 0 323.397 1.480 20 5 DDBDRO O=[N+]([O-])CCN1CCO[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000930849527 713937081 /nfs/dbraw/zinc/93/70/81/713937081.db2.gz NISJLVXVZGMSAN-HOTGVXAUSA-N 1 0 305.378 1.238 20 5 DDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@H]([NH+](C)C)[C@@H]1C ZINC000931047119 713990540 /nfs/dbraw/zinc/99/05/40/713990540.db2.gz XPXHTXONMTUPQS-ZOWXZIJZSA-N 1 0 320.393 1.946 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000931118450 714006218 /nfs/dbraw/zinc/00/62/18/714006218.db2.gz TVANXVPILZAVAO-CYBMUJFWSA-N 1 0 323.397 1.336 20 5 DDBDRO O=[N+]([O-])c1ncccc1CN1CCC([N@@H+]2CCCOCC2)CC1 ZINC000931283928 714057537 /nfs/dbraw/zinc/05/75/37/714057537.db2.gz HVOBSXMXQXQCEL-UHFFFAOYSA-N 1 0 320.393 1.677 20 5 DDBDRO C[C@@](CO)([NH2+]CCO[C@@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000931469794 714104978 /nfs/dbraw/zinc/10/49/78/714104978.db2.gz YCYUEJKNSRXBSW-CABCVRRESA-N 1 0 310.350 1.197 20 5 DDBDRO C[C@@H]([NH2+]C[C@@H](O)COC[C@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000932180615 714280105 /nfs/dbraw/zinc/28/01/05/714280105.db2.gz ASLNBIVQSVQECH-DAXOMENPSA-N 1 0 324.377 1.802 20 5 DDBDRO C[C@@H]1COC[C@@H]1[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000932493416 714345632 /nfs/dbraw/zinc/34/56/32/714345632.db2.gz FYFRRPOIRYJCHB-MFKMUULPSA-N 1 0 305.334 1.108 20 5 DDBDRO Cc1c(NC(=O)CC[NH2+][C@@H]2COC[C@H]2C)cccc1[N+](=O)[O-] ZINC000932494109 714346182 /nfs/dbraw/zinc/34/61/82/714346182.db2.gz ILMOHMRCBQMUJO-ZWNOBZJWSA-N 1 0 307.350 1.856 20 5 DDBDRO CCN(C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CC[NH2+]C1 ZINC000923426612 714352242 /nfs/dbraw/zinc/35/22/42/714352242.db2.gz UDVIGJDITSEODB-ZIAGYGMSSA-N 1 0 309.366 1.018 20 5 DDBDRO C[C@@H]1[NH2+]C[C@H](C)N(C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000923435249 714354718 /nfs/dbraw/zinc/35/47/18/714354718.db2.gz GBUDXTPHWARKMV-XDQVBPFNSA-N 1 0 323.393 1.405 20 5 DDBDRO C[NH+]1CCC(OCC(=O)OCc2cccc([N+](=O)[O-])c2)CC1 ZINC000923790892 714471567 /nfs/dbraw/zinc/47/15/67/714471567.db2.gz BCIPZONVCKRYIF-UHFFFAOYSA-N 1 0 308.334 1.749 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC2(CC1)C[C@H](O)CCO2 ZINC000933054639 714507785 /nfs/dbraw/zinc/50/77/85/714507785.db2.gz HNYWFZZQJSKDSX-CYBMUJFWSA-N 1 0 324.381 1.106 20 5 DDBDRO O=C(C[NH2+][C@]12C[C@H]1COC21CCC1)Nc1ccccc1[N+](=O)[O-] ZINC000933391820 714580722 /nfs/dbraw/zinc/58/07/22/714580722.db2.gz HAWKNSFNHAMLBA-MEDUHNTESA-N 1 0 317.345 1.835 20 5 DDBDRO O=[N+]([O-])c1ccc(CN2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)cc1 ZINC000934255066 714776204 /nfs/dbraw/zinc/77/62/04/714776204.db2.gz OJJICVSFFDOSSH-HZPDHXFCSA-N 1 0 305.378 1.626 20 5 DDBDRO O=[N+]([O-])c1cccc2nc(N3CCN4CC[NH2+]C[C@H]4C3)ccc21 ZINC001164398336 718833486 /nfs/dbraw/zinc/83/34/86/718833486.db2.gz DKLFMYNKESYTPR-LBPRGKRZSA-N 1 0 313.361 1.237 20 5 DDBDRO C[N@@H+]1CCO[C@@H]2CN(c3nc4ccccc4cc3[N+](=O)[O-])C[C@@H]21 ZINC000352355911 719413087 /nfs/dbraw/zinc/41/30/87/719413087.db2.gz JIQZEOKLQLWFFL-LSDHHAIUSA-N 1 0 314.345 1.662 20 5 DDBDRO C[C@H](c1nnc(N2CC[NH+](C3CCCCC3)CC2)n1C)[N+](=O)[O-] ZINC001121296873 782447032 /nfs/dbraw/zinc/44/70/32/782447032.db2.gz LXRSHNIMCDIWIP-GFCCVEGCSA-N 1 0 322.413 1.608 20 5 DDBDRO C[C@H](c1nnc(N2CCC(C)([NH+]3CCCC3)CC2)n1C)[N+](=O)[O-] ZINC001121296334 782447444 /nfs/dbraw/zinc/44/74/44/782447444.db2.gz HRHCYSRFMBZCJW-GFCCVEGCSA-N 1 0 322.413 1.608 20 5 DDBDRO CN1Cc2cc(NCC[NH+]3CCSCC3)cc([N+](=O)[O-])c2N1 ZINC001167839785 739004411 /nfs/dbraw/zinc/00/44/11/739004411.db2.gz TVBQDZMHTZWADM-UHFFFAOYSA-N 1 0 323.422 1.828 20 5 DDBDRO CCOC(=O)c1cccc([N+](=O)[O-])c1NC(=N)SCC[NH3+] ZINC001167911909 739307337 /nfs/dbraw/zinc/30/73/37/739307337.db2.gz GUNLCIAUFZFBEZ-UHFFFAOYSA-N 1 0 312.351 1.810 20 5 DDBDRO CCCN(CCNC(=O)CC[NH+](C)C)c1ccc([N+](=O)[O-])cn1 ZINC001101228819 739754058 /nfs/dbraw/zinc/75/40/58/739754058.db2.gz UQPTVWJVZJFDPL-UHFFFAOYSA-N 1 0 323.397 1.274 20 5 DDBDRO CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001105423138 741452943 /nfs/dbraw/zinc/45/29/43/741452943.db2.gz FRIFXMFDJUEKRN-ANQUJSFKSA-N 1 0 317.389 1.478 20 5 DDBDRO O=C(NC1CC[NH+](CCC(F)(F)F)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001002788944 743431700 /nfs/dbraw/zinc/43/17/00/743431700.db2.gz QKEDARKJHJOUBG-NXEZZACHSA-N 1 0 309.288 1.185 20 5 DDBDRO CCN(CCNc1ccc([N+](=O)[O-])cn1)C(=O)C[N@H+](C)C(C)C ZINC001106778559 746063654 /nfs/dbraw/zinc/06/36/54/746063654.db2.gz CJXKLKXJCNWVCO-UHFFFAOYSA-N 1 0 323.397 1.590 20 5 DDBDRO [NH3+]CCc1nc(-c2ccccc2)nn1-c1ncccc1[N+](=O)[O-] ZINC001168713943 747340660 /nfs/dbraw/zinc/34/06/60/747340660.db2.gz NPUPIGOTOITISJ-UHFFFAOYSA-N 1 0 310.317 1.739 20 5 DDBDRO O=C(CC(F)(F)F)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001124421049 748210041 /nfs/dbraw/zinc/21/00/41/748210041.db2.gz YYTISSXBZQEHMX-UHFFFAOYSA-N 1 0 305.256 1.753 20 5 DDBDRO CC(C)(C)c1ccc(N(CC[NH3+])S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC001162128797 748638079 /nfs/dbraw/zinc/63/80/79/748638079.db2.gz KUFCYVXJEQIUAN-UHFFFAOYSA-N 1 0 315.395 1.617 20 5 DDBDRO CCC(=O)NCC[NH+]1CCC(Nc2ncccc2[N+](=O)[O-])CC1 ZINC001111309449 750443314 /nfs/dbraw/zinc/44/33/14/750443314.db2.gz NWINISLTZAMARB-UHFFFAOYSA-N 1 0 321.381 1.392 20 5 DDBDRO CCOc1cnc(-n2cc3c(n2)CC[C@H]([NH3+])C3)c([N+](=O)[O-])c1 ZINC001168809264 762044660 /nfs/dbraw/zinc/04/46/60/762044660.db2.gz QAWFILGESMJNBF-JTQLQIEISA-N 1 0 303.322 1.390 20 5 DDBDRO Cc1oncc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001034644986 750627091 /nfs/dbraw/zinc/62/70/91/750627091.db2.gz OWDGACUQXAVESP-AAVRWANBSA-N 1 0 322.365 1.165 20 5 DDBDRO [NH3+]CC[C@H]1CN(c2c[n+]([O-])ccc2[N+](=O)[O-])c2ccccc21 ZINC001168550029 750649661 /nfs/dbraw/zinc/64/96/61/750649661.db2.gz RRNCHRBQTMFECC-NSHDSACASA-N 1 0 300.318 1.812 20 5 DDBDRO CCOC(=O)c1cccc(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)n1 ZINC001168979876 762148403 /nfs/dbraw/zinc/14/84/03/762148403.db2.gz BSKSXPPPUDGBBY-VXGBXAGGSA-N 1 0 307.350 1.793 20 5 DDBDRO O=C1C[C@H]([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CN1Cc1ccccc1 ZINC001168968402 762158630 /nfs/dbraw/zinc/15/86/30/762158630.db2.gz YUTCLYLGAIBXSW-OAGGEKHMSA-N 1 0 317.389 1.823 20 5 DDBDRO CCOC(=O)c1ccnc(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001168969489 762159381 /nfs/dbraw/zinc/15/93/81/762159381.db2.gz FBAIKTQMOAFMMM-YPMHNXCESA-N 1 0 307.350 1.793 20 5 DDBDRO O=C(CC[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)NCc1ccccc1 ZINC001168972669 762162049 /nfs/dbraw/zinc/16/20/49/762162049.db2.gz APSRSEOLBRVIGA-GJZGRUSLSA-N 1 0 305.378 1.728 20 5 DDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+][C@H]2CCCN(c3ccncn3)C2)C1 ZINC001168992383 762166055 /nfs/dbraw/zinc/16/60/55/762166055.db2.gz JQBHTOFYZWLILE-IHRRRGAJSA-N 1 0 305.382 1.480 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2cn(Cc3ccncc3)cn2)C1 ZINC001168997151 762169555 /nfs/dbraw/zinc/16/95/55/762169555.db2.gz BTWBTNVRFDBJCG-CABCVRRESA-N 1 0 315.377 1.861 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2cn(Cc3ccccn3)cn2)C1 ZINC001169000881 762171722 /nfs/dbraw/zinc/17/17/22/762171722.db2.gz ZCACOHBMBRFDPC-KGLIPLIRSA-N 1 0 315.377 1.861 20 5 DDBDRO O=C(c1ccccc1)N1CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169006912 762175056 /nfs/dbraw/zinc/17/50/56/762175056.db2.gz KDSGYJVLWAMQEP-HOCLYGCPSA-N 1 0 317.389 1.890 20 5 DDBDRO COC(=O)CC1([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CCOCC1 ZINC001168987757 762180641 /nfs/dbraw/zinc/18/06/41/762180641.db2.gz KARIXIUSIYKKPY-RYUDHWBXSA-N 1 0 300.355 1.134 20 5 DDBDRO Cc1cnc(C[NH3+])n1-c1nccc(Br)c1[N+](=O)[O-] ZINC001169029532 762186471 /nfs/dbraw/zinc/18/64/71/762186471.db2.gz UTVDAMQPNFIVCR-UHFFFAOYSA-N 1 0 312.127 1.705 20 5 DDBDRO Cc1cc(C)nc(N2CC[NH+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)n1 ZINC001169029650 762186563 /nfs/dbraw/zinc/18/65/63/762186563.db2.gz UXIWZTVSETUUEQ-CABCVRRESA-N 1 0 319.409 1.661 20 5 DDBDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000826882874 759424981 /nfs/dbraw/zinc/42/49/81/759424981.db2.gz PEURJGHBUGAAJP-GUTXKFCHSA-N 1 0 321.377 1.617 20 5 DDBDRO Cc1ncc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)s1 ZINC001086082503 760941869 /nfs/dbraw/zinc/94/18/69/760941869.db2.gz RNUWYYRISSVKLE-LYIQGSDWSA-N 1 0 324.406 1.101 20 5 DDBDRO O=C(NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1cc(F)c[nH]1 ZINC001131462787 768143802 /nfs/dbraw/zinc/14/38/02/768143802.db2.gz FJEGGPXZKSDDCS-UHFFFAOYSA-N 1 0 306.297 1.582 20 5 DDBDRO O=C(C[NH+]1CCCC1)NCCCNc1ccc([N+](=O)[O-])cc1 ZINC000003894211 765521730 /nfs/dbraw/zinc/52/17/30/765521730.db2.gz ZBGBVGUZFUGAIH-UHFFFAOYSA-N 1 0 306.366 1.609 20 5 DDBDRO COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2COCCN2C)c([N+](=O)[O-])c1 ZINC001170305789 766231526 /nfs/dbraw/zinc/23/15/26/766231526.db2.gz PQCWWQRSXLIPPK-TZMCWYRMSA-N 1 0 323.393 1.455 20 5 DDBDRO COc1ccc(C[C@H](C)[NH2+][C@H]2CCCC(=O)NC2)c([N+](=O)[O-])c1 ZINC001170305841 766231594 /nfs/dbraw/zinc/23/15/94/766231594.db2.gz QPFSRAWVAGNYHH-AAEUAGOBSA-N 1 0 321.377 1.793 20 5 DDBDRO COc1ccc(C[C@@H](C)[NH2+]C[C@H]2CCC(=O)NC2)c([N+](=O)[O-])c1 ZINC001170308783 766259737 /nfs/dbraw/zinc/25/97/37/766259737.db2.gz ORTMJDRZQIWXGU-VXGBXAGGSA-N 1 0 321.377 1.650 20 5 DDBDRO COc1c(F)cc(NCCOCCOCC[NH3+])cc1[N+](=O)[O-] ZINC001170510942 767682632 /nfs/dbraw/zinc/68/26/32/767682632.db2.gz HPZWGINJRLLNMV-UHFFFAOYSA-N 1 0 317.317 1.146 20 5 DDBDRO CCOC(=O)C1C[NH2+]CCC1=Nc1nc(C)ccc1[N+](=O)[O-] ZINC001170518018 767757944 /nfs/dbraw/zinc/75/79/44/767757944.db2.gz XIRUPQRRXQNLCH-UHFFFAOYSA-N 1 0 306.322 1.521 20 5 DDBDRO O=C(Cc1cnoc1)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001132738381 769146962 /nfs/dbraw/zinc/14/69/62/769146962.db2.gz AZQWKUDZMZMARQ-UHFFFAOYSA-N 1 0 304.306 1.031 20 5 DDBDRO [NH3+]CCc1cn(-c2ncc([N+](=O)[O-])cc2F)c2cccnc12 ZINC001158748897 769361628 /nfs/dbraw/zinc/36/16/28/769361628.db2.gz OWDUTYXQXDRZHT-UHFFFAOYSA-N 1 0 301.281 1.969 20 5 DDBDRO Cc1ccoc1CC(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001133579774 770030329 /nfs/dbraw/zinc/03/03/29/770030329.db2.gz AQHRXCWUFWQKDU-UHFFFAOYSA-N 1 0 317.345 1.945 20 5 DDBDRO O=C(CCc1cn[nH]c1)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001135050179 771299895 /nfs/dbraw/zinc/29/98/95/771299895.db2.gz VWXXGPOAWPUUSL-UHFFFAOYSA-N 1 0 317.349 1.157 20 5 DDBDRO Cc1c[nH]c(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)n1 ZINC001135051823 771300376 /nfs/dbraw/zinc/30/03/76/771300376.db2.gz CCLZDAGCGNMOCP-UHFFFAOYSA-N 1 0 303.322 1.146 20 5 DDBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N[C@H]1CC[NH2+]C[C@@H]1C(F)(F)F ZINC001160738170 772674931 /nfs/dbraw/zinc/67/49/31/772674931.db2.gz JTQNDBVKHVBVOJ-IUCAKERBSA-N 1 0 320.271 1.489 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(NCCNC(=O)C[NH+]2CCCC2)c1 ZINC001093652118 774951929 /nfs/dbraw/zinc/95/19/29/774951929.db2.gz GSXNWKBPYRDUFU-UHFFFAOYSA-N 1 0 306.366 1.527 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(NCCCNC(=O)C[N@@H+](C)C(C)C)n1 ZINC001094456656 775894776 /nfs/dbraw/zinc/89/47/76/775894776.db2.gz LJKWYKSWASNREH-UHFFFAOYSA-N 1 0 323.397 1.557 20 5 DDBDRO Cc1cc(N(C)CCNC(=O)CCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC001100286979 775941514 /nfs/dbraw/zinc/94/15/14/775941514.db2.gz XGUDGJLBNOBVML-UHFFFAOYSA-N 1 0 322.409 1.797 20 5 DDBDRO CN(CCNC(=O)CC[NH+](C)C)c1cccc(F)c1[N+](=O)[O-] ZINC001100299228 775959578 /nfs/dbraw/zinc/95/95/78/775959578.db2.gz CYJQQXABIPSWAW-UHFFFAOYSA-N 1 0 312.345 1.238 20 5 DDBDRO CC[N@H+](C)CCC(=O)NCCCNc1ccc([N+](=O)[O-])c(C)n1 ZINC001094574237 776049281 /nfs/dbraw/zinc/04/92/81/776049281.db2.gz SBODASJWLKPAOU-UHFFFAOYSA-N 1 0 323.397 1.558 20 5 DDBDRO CCN(CCNC(=O)C[N@H+](C)C(C)C)c1ccc([N+](=O)[O-])cn1 ZINC001100546945 776293072 /nfs/dbraw/zinc/29/30/72/776293072.db2.gz ZZYVZCYLEQEUCL-UHFFFAOYSA-N 1 0 323.397 1.273 20 5 DDBDRO COC(=O)C1C[NH+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172906189 776916731 /nfs/dbraw/zinc/91/67/31/776916731.db2.gz WNYCGXWHZOHYLG-AWEZNQCLSA-N 1 0 304.346 1.947 20 5 DDBDRO NC(=O)[C@@H]1CCC[N@@H+]1[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172907597 776918046 /nfs/dbraw/zinc/91/80/46/776918046.db2.gz GYVBLTOAYUESMD-HIFRSBDPSA-N 1 0 303.362 1.792 20 5 DDBDRO [NH3+]C1CN(C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)C1 ZINC001173011578 776960290 /nfs/dbraw/zinc/96/02/90/776960290.db2.gz GEGJAZLUNJQIAC-UHFFFAOYSA-N 1 0 312.320 1.485 20 5 DDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCc2nncn2CC1 ZINC001173219951 777052565 /nfs/dbraw/zinc/05/25/65/777052565.db2.gz ADLGVROIAJEPEF-GFCCVEGCSA-N 1 0 301.350 1.676 20 5 DDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCN([C@@H]2CCOC2)CC1 ZINC001173224859 777059487 /nfs/dbraw/zinc/05/94/87/777059487.db2.gz HLLUUNVAUXLRFI-RHSMWYFYSA-N 1 0 319.405 1.932 20 5 DDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)n1[nH]c(=O)c2c1CC[NH2+]C2 ZINC001173231245 777063936 /nfs/dbraw/zinc/06/39/36/777063936.db2.gz LCGCPZYMTWMHQL-JTQLQIEISA-N 1 0 302.334 1.946 20 5 DDBDRO CC[N@H+](C)CCC(=O)N(C)CCNc1cc(C)c([N+](=O)[O-])cn1 ZINC001101757025 777479551 /nfs/dbraw/zinc/47/95/51/777479551.db2.gz WICGULUQGKZIFB-UHFFFAOYSA-N 1 0 323.397 1.510 20 5 DDBDRO CCC(=O)NC1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC001176143894 778041591 /nfs/dbraw/zinc/04/15/91/778041591.db2.gz BPTLMPXWPSFDTF-UHFFFAOYSA-N 1 0 321.377 1.964 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@@H]1COC[C@@H]1C ZINC001176355950 778132653 /nfs/dbraw/zinc/13/26/53/778132653.db2.gz PSBGAQMNZOHFJL-OUJBWJOFSA-N 1 0 323.349 1.555 20 5 DDBDRO CC[N@@H+]1C[C@@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC001178857451 779213252 /nfs/dbraw/zinc/21/32/52/779213252.db2.gz VLERTWXNAUWGJQ-CQSZACIVSA-N 1 0 321.377 1.820 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC001119948624 781693550 /nfs/dbraw/zinc/69/35/50/781693550.db2.gz QELVHAFMNDOANR-AAEUAGOBSA-N 1 0 305.382 1.781 20 5 DDBDRO CN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cc(F)c[nH]1 ZINC001267403664 837999129 /nfs/dbraw/zinc/99/91/29/837999129.db2.gz MGYFWMKBYJAQHS-UHFFFAOYSA-N 1 0 320.324 1.924 20 5 DDBDRO Cc1cncc([N+](=O)[O-])c1N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC001326838560 861647694 /nfs/dbraw/zinc/64/76/94/861647694.db2.gz ITPMQQNMRHVKPJ-CQSZACIVSA-N 1 0 320.393 1.989 20 5 DDBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N[C@@H]1C[NH2+]Cc2ccsc21 ZINC001155562136 862230148 /nfs/dbraw/zinc/23/01/48/862230148.db2.gz RCMWQUFMXUBNEF-SNVBAGLBSA-N 1 0 306.347 1.855 20 5 DDBDRO O=C1C[C@H]2[NH2+]CC[C@]2(Nc2ccc3cccc([N+](=O)[O-])c3n2)N1 ZINC001155568975 862236468 /nfs/dbraw/zinc/23/64/68/862236468.db2.gz DAOYUGLYPJADRH-ABAIWWIYSA-N 1 0 313.317 1.133 20 5 DDBDRO C[NH2+][C@H](C)CCNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC001328221541 862786412 /nfs/dbraw/zinc/78/64/12/862786412.db2.gz SKMOATFFJVQAHZ-LLVKDONJSA-N 1 0 317.349 1.508 20 5 DDBDRO CC1(C)[NH2+]CC[C@@H]1NC(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC001121945857 858642159 /nfs/dbraw/zinc/64/21/59/858642159.db2.gz HLOBFDRIOSGTJV-ZDUSSCGKSA-N 1 0 309.341 1.923 20 5 DDBDRO C[C@H](c1nnc(N2CC[N@H+](C)C(C)(C)C2)n1CC1CC1)[N+](=O)[O-] ZINC001123415781 859225653 /nfs/dbraw/zinc/22/56/53/859225653.db2.gz UTWPJLCXBMSDOV-LLVKDONJSA-N 1 0 322.413 1.556 20 5 DDBDRO CNc1ccc(C(=O)N[C@@H]2CC[C@H]3C[N@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC001124109342 859583709 /nfs/dbraw/zinc/58/37/09/859583709.db2.gz MLWUUPLRAARESF-RWMBFGLXSA-N 1 0 318.377 1.707 20 5 DDBDRO C[NH2+][C@@H](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC001326188414 861172678 /nfs/dbraw/zinc/17/26/78/861172678.db2.gz LVHSPRWXDOGZFE-JTQLQIEISA-N 1 0 301.368 1.180 20 5 DDBDRO COc1nc(N2CCC3(CC2)CC[NH+](C)CC3)ncc1[N+](=O)[O-] ZINC001156563669 863152284 /nfs/dbraw/zinc/15/22/84/863152284.db2.gz FQAHCLRNUNZBQQ-UHFFFAOYSA-N 1 0 321.381 1.706 20 5 DDBDRO COc1nc(-n2nc(C[NH3+])c3ccccc32)ncc1[N+](=O)[O-] ZINC001156855807 863400292 /nfs/dbraw/zinc/40/02/92/863400292.db2.gz HHZDSUGBJUENMG-UHFFFAOYSA-N 1 0 300.278 1.191 20 5 DDBDRO COc1nc(C)c([N+](=O)[O-])c(-n2nc(C[NH3+])c3ccccc32)n1 ZINC001156855442 863400451 /nfs/dbraw/zinc/40/04/51/863400451.db2.gz KABHVTHHYZNKTB-UHFFFAOYSA-N 1 0 314.305 1.499 20 5 DDBDRO COC(=O)c1cnc(N(C)[C@]2(C)CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001156957158 863476335 /nfs/dbraw/zinc/47/63/35/863476335.db2.gz SXPDRNJHKDNTST-CQSZACIVSA-N 1 0 308.338 1.355 20 5 DDBDRO Cc1cc(C(=O)NCCC[NH2+]Cc2c([N+](=O)[O-])ncn2C)co1 ZINC001157062340 863545766 /nfs/dbraw/zinc/54/57/66/863545766.db2.gz AVSDCPCLSBIDHN-UHFFFAOYSA-N 1 0 321.337 1.139 20 5 DDBDRO Cc1cc(F)ccc1C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157767689 864118047 /nfs/dbraw/zinc/11/80/47/864118047.db2.gz RNWDKXCCDVXZAZ-ZIAGYGMSSA-N 1 0 309.341 1.395 20 5 DDBDRO Cc1cc([N+](=O)[O-])cnc1NCc1ncn2c1C[NH2+]CCC2 ZINC001158355587 864598823 /nfs/dbraw/zinc/59/88/23/864598823.db2.gz BAHHLZRVNVFLJD-UHFFFAOYSA-N 1 0 302.338 1.600 20 5 DDBDRO CCCc1n[nH]c(C(=O)N2C[C@H]3CC[N@H+](C)[C@H]3C2)c1[N+](=O)[O-] ZINC001158784420 864906841 /nfs/dbraw/zinc/90/68/41/864906841.db2.gz FSPZDJAEJDTNSX-KOLCDFICSA-N 1 0 307.354 1.047 20 5 DDBDRO O=C(NC[C@@H]1CCCC[NH2+]1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001331458127 865098065 /nfs/dbraw/zinc/09/80/65/865098065.db2.gz ZSTOKOOSRKFSLI-ZDUSSCGKSA-N 1 0 304.350 1.762 20 5 DDBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N[C@@H](C)[C@@H]2C[NH2+]CCO2)n1 ZINC001159496603 865346333 /nfs/dbraw/zinc/34/63/33/865346333.db2.gz KMARNQSBCSORJP-WPRPVWTQSA-N 1 0 300.746 1.740 20 5 DDBDRO Cc1cc(Cl)nc(N[C@@H](C)[C@@H]2C[NH2+]CCO2)c1[N+](=O)[O-] ZINC001159499699 865354551 /nfs/dbraw/zinc/35/45/51/865354551.db2.gz UYPMPPVSLOVATO-IUCAKERBSA-N 1 0 300.746 1.740 20 5 DDBDRO CN(C)[C@H]1CCCC[C@@H]1[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC001332981829 866307862 /nfs/dbraw/zinc/30/78/62/866307862.db2.gz PIMSAEHWNHVDOJ-FWIFWCIWSA-N 1 0 307.398 1.957 20 5 DDBDRO CC(=O)NCCNc1ccc([N+](=O)[O-])c(OCC[NH+](C)C)c1 ZINC001161661298 866853785 /nfs/dbraw/zinc/85/37/85/866853785.db2.gz FIRZYVNJVQKYOJ-UHFFFAOYSA-N 1 0 310.354 1.083 20 5 DDBDRO C[C@@H](CN1CC[NH2+]CC1)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC001162090481 867240911 /nfs/dbraw/zinc/24/09/11/867240911.db2.gz OUROWLFWXZJSCW-LBPRGKRZSA-N 1 0 315.377 1.849 20 5 DDBDRO [NH3+]Cc1nc2cnccc2n1-c1ncc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001162214172 867342208 /nfs/dbraw/zinc/34/22/08/867342208.db2.gz FTZZKSZGVRHHCM-UHFFFAOYSA-N 1 0 315.249 1.091 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])c(Cl)cc1-n1nccc1C[NH3+] ZINC001162597805 867668548 /nfs/dbraw/zinc/66/85/48/867668548.db2.gz UKCBHBZVSMJJQT-UHFFFAOYSA-N 1 0 310.697 1.679 20 5 DDBDRO [NH3+]C[C@@H]1Cc2ccccc2CN1c1nc(Cl)ncc1[N+](=O)[O-] ZINC001162740524 867789945 /nfs/dbraw/zinc/78/99/45/867789945.db2.gz DUCYFHJNJDRYGP-NSHDSACASA-N 1 0 319.752 1.928 20 5 DDBDRO Cc1cncc([N+](=O)[O-])c1N1CCC([N@H+](C)CCCO)CC1 ZINC001321825292 867818386 /nfs/dbraw/zinc/81/83/86/867818386.db2.gz JBKVHIOEZBFCDT-UHFFFAOYSA-N 1 0 308.382 1.581 20 5 DDBDRO O=[N+]([O-])c1cnc(NC[C@H]2CCC3(CC[NH2+]CC3)CO2)nc1 ZINC001162956042 867944804 /nfs/dbraw/zinc/94/48/04/867944804.db2.gz IPKODQFQPJBBHP-GFCCVEGCSA-N 1 0 307.354 1.346 20 5 DDBDRO Cc1c(F)cnc(NCc2nnn3c2C[NH2+]CCC3)c1[N+](=O)[O-] ZINC001162972922 867962742 /nfs/dbraw/zinc/96/27/42/867962742.db2.gz LSEQHVUORPZVHF-UHFFFAOYSA-N 1 0 321.316 1.134 20 5 DDBDRO O=[N+]([O-])c1c2[nH]cnc2ccc1N[C@@H]1COCCC12C[NH2+]C2 ZINC001163078679 868061123 /nfs/dbraw/zinc/06/11/23/868061123.db2.gz DCUZOWRVSXMJHR-LLVKDONJSA-N 1 0 303.322 1.262 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])cc1NC[C@@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001163104681 868101812 /nfs/dbraw/zinc/10/18/12/868101812.db2.gz BJPXKHBBIHGTQO-GAJTVXKRSA-N 1 0 321.333 1.028 20 5 DDBDRO O=[N+]([O-])c1cc(N[C@@H]2C[NH2+][C@@H]3COC[C@H]23)cc2cccnc21 ZINC001163146107 868157880 /nfs/dbraw/zinc/15/78/80/868157880.db2.gz HHJRQWCBKWFLLT-JHJVBQTASA-N 1 0 300.318 1.542 20 5 DDBDRO CC(C)(C)c1cnc(N[C@@]23CC[NH2+][C@@H]2CC(=O)N3)c([N+](=O)[O-])c1 ZINC001163234721 868237507 /nfs/dbraw/zinc/23/75/07/868237507.db2.gz BMKFITFDDJVYRH-ABAIWWIYSA-N 1 0 319.365 1.277 20 5 DDBDRO O=C1C[C@@H]2[NH2+]CC[C@@]2(Nc2cc3cccnc3c3ncccc23)N1 ZINC001163254551 868266401 /nfs/dbraw/zinc/26/64/01/868266401.db2.gz SLDOTIKCQQLESQ-KBXCAEBGSA-N 1 0 319.368 1.773 20 5 DDBDRO COC(=O)c1cc(N[C@H]2CC[C@@H]3C[NH2+]C[C@@H]32)cc([N+](=O)[O-])c1 ZINC001163267512 868283397 /nfs/dbraw/zinc/28/33/97/868283397.db2.gz WMUXVAGYUSCGCI-IIMNLJJBSA-N 1 0 305.334 1.791 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2CC[C@@H]3C[NH2+]C[C@@H]32)c1 ZINC001163268908 868287120 /nfs/dbraw/zinc/28/71/20/868287120.db2.gz RMFRIUWIPNMMTK-WOPDTQHZSA-N 1 0 305.334 1.791 20 5 DDBDRO C[C@H](C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)N1CCCCC1=O ZINC001335447668 868307593 /nfs/dbraw/zinc/30/75/93/868307593.db2.gz IGJUGYHYXCOHEC-IUODEOHRSA-N 1 0 321.377 1.619 20 5 DDBDRO COc1cc(NC[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)cnc1[N+](=O)[O-] ZINC001163284968 868308640 /nfs/dbraw/zinc/30/86/40/868308640.db2.gz PVMPXGHOALPNIB-IAQYHMDHSA-N 1 0 322.365 1.569 20 5 DDBDRO CC[C@@H]1COCCN1CC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001335458048 868312976 /nfs/dbraw/zinc/31/29/76/868312976.db2.gz PPBNGXJHAHBSBH-GDBMZVCRSA-N 1 0 323.393 1.329 20 5 DDBDRO C[C@@H]1SCC[C@H]1[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC001335471367 868322316 /nfs/dbraw/zinc/32/23/16/868322316.db2.gz ZPWDHBGEJDINOM-VHRBIJSZSA-N 1 0 312.391 1.818 20 5 DDBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC001335565334 868386827 /nfs/dbraw/zinc/38/68/27/868386827.db2.gz HYCRISVRUHFJHN-ZIAGYGMSSA-N 1 0 306.366 1.334 20 5 DDBDRO CNC(=O)[C@H](CCCC[NH3+])Nc1cc([N+](=O)[O-])cc(Cl)n1 ZINC001163438475 868447393 /nfs/dbraw/zinc/44/73/93/868447393.db2.gz JKSKRIBVWKQVFW-VIFPVBQESA-N 1 0 315.761 1.299 20 5 DDBDRO CC(C)(C)OC(=O)NC[C@H]([NH2+]CC[N+](=O)[O-])C1CCCC1 ZINC001336244768 868813623 /nfs/dbraw/zinc/81/36/23/868813623.db2.gz GREGLRGGFWQCDA-LBPRGKRZSA-N 1 0 301.387 1.936 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@@H](C[NH3+])CC[C@H]2C)n1 ZINC001164473490 869218595 /nfs/dbraw/zinc/21/85/95/869218595.db2.gz GRZQFNKBYCGXNX-NXEZZACHSA-N 1 0 308.338 1.340 20 5 DDBDRO CC(C)[N@@H+]1CCN(c2cc([N+](=O)[O-])cc(Cl)[n+]2[O-])C[C@H]1C ZINC001165200464 869423925 /nfs/dbraw/zinc/42/39/25/869423925.db2.gz ZNVHDCJYRWKCSF-SNVBAGLBSA-N 1 0 314.773 1.801 20 5 DDBDRO [NH3+]CC1(F)CCN(c2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC001165263278 869476296 /nfs/dbraw/zinc/47/62/96/869476296.db2.gz VJSUZXAYXUXJLD-UHFFFAOYSA-N 1 0 305.313 1.805 20 5 DDBDRO [NH3+][C@]12C[C@H]1CN(c1nc(Cl)nc3ccc([N+](=O)[O-])cc31)C2 ZINC001165313254 869512683 /nfs/dbraw/zinc/51/26/83/869512683.db2.gz GUEWNUBZLGGQDJ-CPFSXVBKSA-N 1 0 305.725 1.729 20 5 DDBDRO COc1nc(N2C[C@H](C3([NH3+])CC3)[C@H](CF)C2)ccc1[N+](=O)[O-] ZINC001165429904 869593827 /nfs/dbraw/zinc/59/38/27/869593827.db2.gz KFPKEAOHUFMBSA-ZJUUUORDSA-N 1 0 310.329 1.512 20 5 DDBDRO CS[C@H]1CN(c2cc(N)c([N+](=O)[O-])cn2)C[C@H]1[NH+]1CCCC1 ZINC001337830208 869648457 /nfs/dbraw/zinc/64/84/57/869648457.db2.gz HSMNTUIHXQSRBR-OLZOCXBDSA-N 1 0 323.422 1.588 20 5 DDBDRO COCc1nn(-c2nccc(Cl)c2[N+](=O)[O-])c2c1C[NH2+]C2 ZINC001165631884 869660831 /nfs/dbraw/zinc/66/08/31/869660831.db2.gz IYUZVEDTBFMABO-UHFFFAOYSA-N 1 0 309.713 1.579 20 5 DDBDRO Nc1cc(N2CCC([N@@H+]3CCCOCC3)CC2)ncc1[N+](=O)[O-] ZINC001337911289 869685078 /nfs/dbraw/zinc/68/50/78/869685078.db2.gz XEQRGNKXYHLFMU-UHFFFAOYSA-N 1 0 321.381 1.263 20 5 DDBDRO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3ccc(F)cc3[N+](=O)[O-])[C@@H]2C1 ZINC001338464796 869992216 /nfs/dbraw/zinc/99/22/16/869992216.db2.gz QRRKFOLAYBPVNA-YUTCNCBUSA-N 1 0 321.352 1.733 20 5 DDBDRO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3c(F)cccc3[N+](=O)[O-])[C@H]2C1 ZINC001338463880 869993029 /nfs/dbraw/zinc/99/30/29/869993029.db2.gz NPNWPZZTTRJZBA-JBLDHEPKSA-N 1 0 307.325 1.804 20 5 DDBDRO C[C@@H](CNC(=O)NC1CC[NH2+]CC1)c1ccccc1[N+](=O)[O-] ZINC001338624106 870078598 /nfs/dbraw/zinc/07/85/98/870078598.db2.gz ISPPWUZWXKCJSQ-NSHDSACASA-N 1 0 306.366 1.750 20 5 DDBDRO N=c1nc([C@H]2CCC[NH2+]2)ccn1-c1ncc([N+](=O)[O-])cc1Cl ZINC001166699716 870166707 /nfs/dbraw/zinc/16/67/07/870166707.db2.gz CSSOVFWGKJPLNT-SNVBAGLBSA-N 1 0 320.740 1.733 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])c(-n2c(=N)sc3c2CC[NH2+]C3)n1 ZINC001166860882 870327216 /nfs/dbraw/zinc/32/72/16/870327216.db2.gz VANQNTRKKPXRMZ-UHFFFAOYSA-N 1 0 305.363 1.584 20 5 DDBDRO CO[C@@H](C)C(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001339065123 870327233 /nfs/dbraw/zinc/32/72/33/870327233.db2.gz DEMSXXOUPNZRDE-NSHDSACASA-N 1 0 322.365 1.320 20 5 DDBDRO CC[C@H](C)[NH+]1CCN(c2nnc(CCC[N+](=O)[O-])n2CC)CC1 ZINC001339232815 870412570 /nfs/dbraw/zinc/41/25/70/870412570.db2.gz GKWIAVDEQAMMMG-ZDUSSCGKSA-N 1 0 324.429 1.428 20 5 DDBDRO COC(=O)C1(Nc2nc(Cl)ccc2[N+](=O)[O-])CC[NH2+]CC1 ZINC001166954715 870415631 /nfs/dbraw/zinc/41/56/31/870415631.db2.gz QDPAWRNECGGWOT-UHFFFAOYSA-N 1 0 314.729 1.350 20 5 DDBDRO C[C@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC001339681531 870629953 /nfs/dbraw/zinc/62/99/53/870629953.db2.gz WYHVUPUZWKFWFI-ZYHUDNBSSA-N 1 0 309.370 1.510 20 5 DDBDRO COc1cc(C[NH2+]CC[C@@H]2CC(=O)N(C)C2)c([N+](=O)[O-])cc1O ZINC001203706376 870720596 /nfs/dbraw/zinc/72/05/96/870720596.db2.gz IMFJPMXSJSXIFA-SNVBAGLBSA-N 1 0 323.349 1.267 20 5 DDBDRO Cc1cccc(C(=O)N2CC([NH2+][C@H]3CCOC3)C2)c1[N+](=O)[O-] ZINC001304084146 871185149 /nfs/dbraw/zinc/18/51/49/871185149.db2.gz MEYGQWTXXDBCHN-NSHDSACASA-N 1 0 305.334 1.106 20 5 DDBDRO Cc1nc2ccccc2c(OC(=O)C[C@@H](O)C[N+](C)(C)C)n1 ZINC001226553214 882500864 /nfs/dbraw/zinc/50/08/64/882500864.db2.gz JPOHQOAKMVDAJF-GFCCVEGCSA-N 1 0 304.370 1.301 20 5 DDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(C[NH2+]CCC(F)(F)F)CC1 ZINC001205224673 871443661 /nfs/dbraw/zinc/44/36/61/871443661.db2.gz WHZBPBMTUDMIPF-GHMZBOCLSA-N 1 0 323.315 1.432 20 5 DDBDRO O=C(N[C@@H]1C[NH2+]CC12CC2)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC001342203278 872066168 /nfs/dbraw/zinc/06/61/68/872066168.db2.gz WYKNXSNGAOLBQZ-CYBMUJFWSA-N 1 0 301.302 1.823 20 5 DDBDRO CC1(C)C[NH2+]C[C@H]1NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001346675135 873844590 /nfs/dbraw/zinc/84/45/90/873844590.db2.gz ISQBMCYRHIEOHH-CQSZACIVSA-N 1 0 318.377 1.661 20 5 DDBDRO CC[N@@H+]1CCC[C@H](CNc2cc(N)c([N+](=O)[O-])c(CO)c2)C1 ZINC001347181893 874044399 /nfs/dbraw/zinc/04/43/99/874044399.db2.gz PYCSMZQRQUPWOS-LLVKDONJSA-N 1 0 308.382 1.813 20 5 DDBDRO NC(=O)C[C@H]1CCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000175249126 875871760 /nfs/dbraw/zinc/87/17/60/875871760.db2.gz IVONJECVJHBZHT-CYBMUJFWSA-N 1 0 321.377 1.951 20 5 DDBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc(-c2n[nH]c3c2C[NH2+]C3)n1 ZINC001217210883 877142925 /nfs/dbraw/zinc/14/29/25/877142925.db2.gz IZQKHBCJSRUTCI-UHFFFAOYSA-N 1 0 317.240 1.172 20 5 DDBDRO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3cccc(F)c3[N+](=O)[O-])[C@H]2C1 ZINC001353381047 877291337 /nfs/dbraw/zinc/29/13/37/877291337.db2.gz VCZPPKUIGIVHSD-SGMGOOAPSA-N 1 0 321.352 1.733 20 5 DDBDRO COC(=O)c1ccc(COC2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC001223411057 880951161 /nfs/dbraw/zinc/95/11/61/880951161.db2.gz SGAFWOYYIIWTLB-UHFFFAOYSA-N 1 0 308.334 1.992 20 5 DDBDRO COC(=O)c1cc(OC2CC[NH+](C)CC2)c(F)cc1[N+](=O)[O-] ZINC001229940401 884240615 /nfs/dbraw/zinc/24/06/15/884240615.db2.gz CVOPVLAPJVKEJY-UHFFFAOYSA-N 1 0 312.297 1.994 20 5 DDBDRO COc1cccc2c(OC(=O)C[C@@H](O)C[N+](C)(C)C)ccnc12 ZINC001231053351 885164497 /nfs/dbraw/zinc/16/44/97/885164497.db2.gz AAHSKKLHXSFVKW-GFCCVEGCSA-N 1 0 319.381 1.606 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cnc2cc(F)ccc2c1 ZINC001231133651 885273764 /nfs/dbraw/zinc/27/37/64/885273764.db2.gz FALWXDLDUIMIRJ-CYBMUJFWSA-N 1 0 307.345 1.737 20 5 DDBDRO OC[C@@H]1C[N@H+](Cc2ccc3ccc4cccnc4c3n2)C[C@H]1O ZINC001232219394 886166243 /nfs/dbraw/zinc/16/62/43/886166243.db2.gz TZIRRFBKKKXJGR-GOEBONIOSA-N 1 0 309.369 1.568 20 5 DDBDRO COC(=O)c1cnc(O[C@H]2C[NH+]3CCC2CC3)c([N+](=O)[O-])c1 ZINC001233863468 887401623 /nfs/dbraw/zinc/40/16/23/887401623.db2.gz WLCGFBFVCAMSTM-LBPRGKRZSA-N 1 0 307.306 1.249 20 5 DDBDRO COC(=O)c1ccc(O[C@@H]2C[NH+]3CCC2CC3)cc1[N+](=O)[O-] ZINC001234050883 887593378 /nfs/dbraw/zinc/59/33/78/887593378.db2.gz MFBOMEBTVXLALX-CQSZACIVSA-N 1 0 306.318 1.854 20 5 DDBDRO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC001251758699 894801795 /nfs/dbraw/zinc/80/17/95/894801795.db2.gz XNPSDESIEVNQSL-GJZGRUSLSA-N 1 0 321.377 1.963 20 5 DDBDRO CS(=O)(=O)[C@H]1C[C@@H]([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254575085 896511335 /nfs/dbraw/zinc/51/13/35/896511335.db2.gz NTDTXYAGWUNMRR-BZPMIXESSA-N 1 0 310.375 1.227 20 5 DDBDRO O=C(C[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)NC1CCCC1 ZINC001254581802 896513791 /nfs/dbraw/zinc/51/37/91/896513791.db2.gz MYDYBHSDKBSCQX-CQSZACIVSA-N 1 0 303.362 1.710 20 5 DDBDRO O=C1NCC[C@]12CC[N@@H+]([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254594361 896522462 /nfs/dbraw/zinc/52/24/62/896522462.db2.gz QIINQQHGKCDKHJ-GDBMZVCRSA-N 1 0 301.346 1.274 20 5 DDBDRO CC(C)C[C@@H](C[NH3+])NC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001261377402 899523790 /nfs/dbraw/zinc/52/37/90/899523790.db2.gz RCXFODMGSUHESU-ZDUSSCGKSA-N 1 0 306.366 1.993 20 5 DDBDRO O=C(CC[NH2+]CCN1CCCC1)Nc1ccccc1[N+](=O)[O-] ZINC001262558996 900244065 /nfs/dbraw/zinc/24/40/65/900244065.db2.gz WBUAAORUVVNKRY-UHFFFAOYSA-N 1 0 306.366 1.609 20 5 DDBDRO [NH3+]CC1(CCNC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC001263149835 900517932 /nfs/dbraw/zinc/51/79/32/900517932.db2.gz LPUZHPXEWBWGML-UONOGXRCSA-N 1 0 303.362 1.944 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000278361389 214116348 /nfs/dbraw/zinc/11/63/48/214116348.db2.gz AWAZFSUSKFNMHZ-AWEZNQCLSA-N 1 0 319.361 1.846 20 5 DDBDRO COc1ccc(NC(=O)N2CC[C@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000272857357 210251410 /nfs/dbraw/zinc/25/14/10/210251410.db2.gz RMVZCTBLWHAIHC-NSHDSACASA-N 1 0 308.338 1.771 20 5 DDBDRO CC1(CNC(=O)CCNc2ccccc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000181286287 199275876 /nfs/dbraw/zinc/27/58/76/199275876.db2.gz NERUMIWKZDLOOM-UHFFFAOYSA-N 1 0 320.393 1.903 20 5 DDBDRO COC(=O)C1(C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000614453934 361864077 /nfs/dbraw/zinc/86/40/77/361864077.db2.gz VNJZWXDIOKRRDT-UHFFFAOYSA-N 1 0 322.317 1.409 20 5 DDBDRO CN(C(=O)C[NH2+][C@@H]1COCC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000451808054 231198745 /nfs/dbraw/zinc/19/87/45/231198745.db2.gz IFQPWVBRKRURAV-CYBMUJFWSA-N 1 0 307.350 1.572 20 5 DDBDRO COC[C@]1(CO)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000451925289 231236647 /nfs/dbraw/zinc/23/66/47/231236647.db2.gz GCWKSPBCOGYDRP-OAHLLOKOSA-N 1 0 310.350 1.434 20 5 DDBDRO C[N@H+](CCCCNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)C1CC1 ZINC000457204878 529883013 /nfs/dbraw/zinc/88/30/13/529883013.db2.gz PWBHKILJHNNUDS-UHFFFAOYSA-N 1 0 323.397 1.517 20 5 DDBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000418803090 529933734 /nfs/dbraw/zinc/93/37/34/529933734.db2.gz YOWRGFQFXHDLHS-UONOGXRCSA-N 1 0 320.393 1.906 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CCN(c3nc4sccn4c3[N+](=O)[O-])[C@@H]2C1 ZINC000272209565 282317320 /nfs/dbraw/zinc/31/73/20/282317320.db2.gz PXRNYWMHVZGYGQ-NXEZZACHSA-N 1 0 307.379 1.834 20 5 DDBDRO C[NH2+]C[C@@H]1CCCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000430610902 529988308 /nfs/dbraw/zinc/98/83/08/529988308.db2.gz MIMMCONPZLYCOF-ZDUSSCGKSA-N 1 0 320.393 1.773 20 5 DDBDRO CN(CC(=O)NC(C)(C)C[NH+](C)C)c1ccccc1[N+](=O)[O-] ZINC000457210810 232015320 /nfs/dbraw/zinc/01/53/20/232015320.db2.gz QOEJWBULCOKUGK-UHFFFAOYSA-N 1 0 308.382 1.487 20 5 DDBDRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000299605311 530062179 /nfs/dbraw/zinc/06/21/79/530062179.db2.gz YCZGWUDRDWCSAS-HNNXBMFYSA-N 1 0 318.377 1.338 20 5 DDBDRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000295159200 282363292 /nfs/dbraw/zinc/36/32/92/282363292.db2.gz DPKPILQWKAQQNE-NHAGDIPZSA-N 1 0 316.361 1.143 20 5 DDBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000330860126 232120264 /nfs/dbraw/zinc/12/02/64/232120264.db2.gz VWMOXXFDSLBUBO-MCIONIFRSA-N 1 0 323.393 1.359 20 5 DDBDRO C[NH+](C)CC1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000330890397 232140123 /nfs/dbraw/zinc/14/01/23/232140123.db2.gz HFKNTITVCXVQDZ-UHFFFAOYSA-N 1 0 305.378 1.938 20 5 DDBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)c1 ZINC000366482213 307074992 /nfs/dbraw/zinc/07/49/92/307074992.db2.gz YDKMMBKUIMMZGZ-IUCAKERBSA-N 1 0 313.354 1.747 20 5 DDBDRO C[NH2+][C@H]1CCCN(S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])C1 ZINC000262016436 290833082 /nfs/dbraw/zinc/83/30/82/290833082.db2.gz MSLQXMDCGCZDBK-NSHDSACASA-N 1 0 313.379 1.276 20 5 DDBDRO CC[NH+](CC)[C@H](C)CNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000279809259 215163721 /nfs/dbraw/zinc/16/37/21/215163721.db2.gz ZLFOGVQQQJCTIT-GFCCVEGCSA-N 1 0 309.366 1.820 20 5 DDBDRO Cc1c(NC(=O)NC[C@]2(O)CC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC000358444990 299153597 /nfs/dbraw/zinc/15/35/97/299153597.db2.gz WSFLGYIXUXMIBL-CQSZACIVSA-N 1 0 308.338 1.091 20 5 DDBDRO CCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000071312923 190956234 /nfs/dbraw/zinc/95/62/34/190956234.db2.gz BHZUOPBZPXMFRR-NSHDSACASA-N 1 0 313.379 1.276 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCCNc1cc[nH+]cc1 ZINC000343577027 282696653 /nfs/dbraw/zinc/69/66/53/282696653.db2.gz AFKCEEREJFBRMB-UHFFFAOYSA-N 1 0 300.318 1.562 20 5 DDBDRO CCc1n[nH]c(C(=O)NCC[N@H+]2CCCC[C@@H]2CC)c1[N+](=O)[O-] ZINC000172163781 198049712 /nfs/dbraw/zinc/04/97/12/198049712.db2.gz VXRMJCCSSMJFBA-NSHDSACASA-N 1 0 323.397 1.875 20 5 DDBDRO CC(C)[NH+]1CCN(C(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000045428125 352410859 /nfs/dbraw/zinc/41/08/59/352410859.db2.gz JPPCPQBYDCUPQD-UHFFFAOYSA-N 1 0 307.350 1.526 20 5 DDBDRO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000047142667 352483166 /nfs/dbraw/zinc/48/31/66/352483166.db2.gz AXLSJEJYDGTUKW-NSHDSACASA-N 1 0 306.366 1.781 20 5 DDBDRO COCC[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000048023420 352521165 /nfs/dbraw/zinc/52/11/65/352521165.db2.gz NUPHTBALNDPNRZ-CQSZACIVSA-N 1 0 310.350 1.445 20 5 DDBDRO COC1CC[NH+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000053907368 352672025 /nfs/dbraw/zinc/67/20/25/352672025.db2.gz YOKLKZYBCCJLKP-ZDUSSCGKSA-N 1 0 310.350 1.445 20 5 DDBDRO CC(C)[NH+]1CCC(NC(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000072727885 191222965 /nfs/dbraw/zinc/22/29/65/191222965.db2.gz DOZYDECIZDURPL-UHFFFAOYSA-N 1 0 321.377 1.963 20 5 DDBDRO CC[NH+]1CCC(N(C(=O)Cn2cc([N+](=O)[O-])cn2)C2CC2)CC1 ZINC000057371834 352812894 /nfs/dbraw/zinc/81/28/94/352812894.db2.gz NCBYRSPYTAUPFT-UHFFFAOYSA-N 1 0 321.381 1.267 20 5 DDBDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000063489996 352914484 /nfs/dbraw/zinc/91/44/84/352914484.db2.gz FJYBTQVBKAIHCV-ZDUSSCGKSA-N 1 0 321.377 1.820 20 5 DDBDRO COc1ccc(OCC[NH+]2CCC(C(N)=O)CC2)c([N+](=O)[O-])c1 ZINC000173494232 198220884 /nfs/dbraw/zinc/22/08/84/198220884.db2.gz CKXUGPNEBCWTQG-UHFFFAOYSA-N 1 0 323.349 1.180 20 5 DDBDRO C[C@@H](CNC(=O)CCNc1ccccc1[N+](=O)[O-])C[NH+](C)C ZINC000355706934 290977433 /nfs/dbraw/zinc/97/74/33/290977433.db2.gz TVHONTBJZDAGMR-LBPRGKRZSA-N 1 0 308.382 1.711 20 5 DDBDRO C[C@H](CNC(=O)CCn1cc([N+](=O)[O-])cn1)[NH+]1CCC(C)CC1 ZINC000067269373 353040655 /nfs/dbraw/zinc/04/06/55/353040655.db2.gz VHCAVDGYGBKKMZ-CYBMUJFWSA-N 1 0 323.397 1.418 20 5 DDBDRO CCc1ccc(S(=O)(=O)NC[C@H]([NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000564967785 304031083 /nfs/dbraw/zinc/03/10/83/304031083.db2.gz SRSLZEYJDBTQDW-LBPRGKRZSA-N 1 0 313.379 1.173 20 5 DDBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000069475987 353162916 /nfs/dbraw/zinc/16/29/16/353162916.db2.gz PTFOIQJTEVFYLO-ZDUSSCGKSA-N 1 0 321.377 1.822 20 5 DDBDRO COc1ccc(CC(=O)NCCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000069543689 353167379 /nfs/dbraw/zinc/16/73/79/353167379.db2.gz HTKMVPSGXFAYSN-UHFFFAOYSA-N 1 0 321.377 1.748 20 5 DDBDRO CC(C)[C@@H]1CCC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000075744948 353378945 /nfs/dbraw/zinc/37/89/45/353378945.db2.gz OEGKCHNRGHITIU-HIFRSBDPSA-N 1 0 310.398 1.910 20 5 DDBDRO Cc1cnc(NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)c([N+](=O)[O-])c1 ZINC000078657968 353526676 /nfs/dbraw/zinc/52/66/76/353526676.db2.gz USRGDATWKUFQML-LBPRGKRZSA-N 1 0 321.381 1.298 20 5 DDBDRO Cc1ccc(N2CCN(C(=O)C[NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000080560195 353614772 /nfs/dbraw/zinc/61/47/72/353614772.db2.gz ASVMMUIGEWOXGU-UHFFFAOYSA-N 1 0 306.366 1.113 20 5 DDBDRO Cn1ccnc1[C@H](N[C@H]1C[C@@H](CO)C1)c1ccc([N+](=O)[O-])cc1 ZINC000601291479 358480100 /nfs/dbraw/zinc/48/01/00/358480100.db2.gz KQRHMNTXMFXBEY-OSAQELSMSA-N 1 0 316.361 1.778 20 5 DDBDRO C[C@H](O)[C@@H]1CCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000089930601 353784030 /nfs/dbraw/zinc/78/40/30/353784030.db2.gz XHYRNOWWRRLCJY-CMPLNLGQSA-N 1 0 307.350 1.287 20 5 DDBDRO COC(=O)C(C)(C)[C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000093280903 353892049 /nfs/dbraw/zinc/89/20/49/353892049.db2.gz OCSYQBJWULVUSF-GFCCVEGCSA-N 1 0 324.381 1.703 20 5 DDBDRO CC[C@@H](CO)[NH+]1CCN(Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000093739927 353904543 /nfs/dbraw/zinc/90/45/43/353904543.db2.gz ZKTZIHIFRKXLKP-HNNXBMFYSA-N 1 0 307.394 1.792 20 5 DDBDRO O=C(/C=C\c1ccccc1[N+](=O)[O-])N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000492992393 234667864 /nfs/dbraw/zinc/66/78/64/234667864.db2.gz QOAGYLREWBDUEN-UDMBRALOSA-N 1 0 301.346 1.818 20 5 DDBDRO O=C1C[C@@]2(CC[N@@H+](CCCOc3ccc([N+](=O)[O-])cc3)C2)CN1 ZINC000278830123 354416098 /nfs/dbraw/zinc/41/60/98/354416098.db2.gz IFWVELFHWDNLFG-INIZCTEOSA-N 1 0 319.361 1.576 20 5 DDBDRO O=C(Cc1ccccc1[N+](=O)[O-])N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000314375105 354484877 /nfs/dbraw/zinc/48/48/77/354484877.db2.gz SHKSMTCWQRAPAY-CYBMUJFWSA-N 1 0 303.362 1.928 20 5 DDBDRO C[N@@H+]1CC[C@H]2CCN(c3cc(N)c([N+](=O)[O-])c(CO)c3)[C@H]2C1 ZINC000585779640 354839599 /nfs/dbraw/zinc/83/95/99/354839599.db2.gz HPHVDOBKSKGTAJ-HZMBPMFUSA-N 1 0 306.366 1.200 20 5 DDBDRO C[NH+](C)[C@@H]1CCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C1 ZINC000587857274 354886362 /nfs/dbraw/zinc/88/63/62/354886362.db2.gz FNHISMIYPMEWMZ-SNVBAGLBSA-N 1 0 303.322 1.384 20 5 DDBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000588158180 354906299 /nfs/dbraw/zinc/90/62/99/354906299.db2.gz KPMBOFJAQDMCSL-AWEZNQCLSA-N 1 0 320.393 1.873 20 5 DDBDRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000590344481 355074882 /nfs/dbraw/zinc/07/48/82/355074882.db2.gz TYXRBPVZCXPUKN-LLVKDONJSA-N 1 0 323.397 1.998 20 5 DDBDRO CCC[N@@H+]1CC[C@@H](CNc2nccc(C(=O)OC)c2[N+](=O)[O-])C1 ZINC000590573554 355117328 /nfs/dbraw/zinc/11/73/28/355117328.db2.gz BPHVGQOIJOKFTG-NSHDSACASA-N 1 0 322.365 1.920 20 5 DDBDRO CCCc1n[nH]c(C(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)c1[N+](=O)[O-] ZINC000590442880 355096352 /nfs/dbraw/zinc/09/63/52/355096352.db2.gz HRYNJIYFQBPIJK-KOLCDFICSA-N 1 0 307.354 1.047 20 5 DDBDRO CCCc1n[nH]c(C(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)c1[N+](=O)[O-] ZINC000590442883 355096739 /nfs/dbraw/zinc/09/67/39/355096739.db2.gz HRYNJIYFQBPIJK-ONGXEEELSA-N 1 0 307.354 1.047 20 5 DDBDRO Cc1cc(S(=O)(=O)NC[C@@H]2CCCN2C)c([N+](=O)[O-])s1 ZINC000601319468 358494048 /nfs/dbraw/zinc/49/40/48/358494048.db2.gz AXZIRYGWOHCPEL-VIFPVBQESA-N 1 0 319.408 1.337 20 5 DDBDRO COc1ccc(NC(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000591297602 355283606 /nfs/dbraw/zinc/28/36/06/355283606.db2.gz ARAJHMRKGMICAG-ZANVPECISA-N 1 0 324.337 1.183 20 5 DDBDRO C[NH2+][C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000591680977 355360863 /nfs/dbraw/zinc/36/08/63/355360863.db2.gz VBOGXPROCWJGSL-SNVBAGLBSA-N 1 0 300.318 1.577 20 5 DDBDRO CC[C@H]1CN(C(=O)c2ccc(NC)c([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000592332327 355561257 /nfs/dbraw/zinc/56/12/57/355561257.db2.gz WOKUIUCFNRBELN-CMPLNLGQSA-N 1 0 306.366 1.836 20 5 DDBDRO CC(C)c1ccc(C(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000592310839 355557265 /nfs/dbraw/zinc/55/72/65/355557265.db2.gz YXSVXVKEHAHVNX-ABAIWWIYSA-N 1 0 321.377 1.906 20 5 DDBDRO COc1ccc(OCCN2CCC(C)([NH3+])CC2)c([N+](=O)[O-])c1 ZINC000592484997 355595946 /nfs/dbraw/zinc/59/59/46/355595946.db2.gz MMZWBGYTUDOXDC-UHFFFAOYSA-N 1 0 309.366 1.795 20 5 DDBDRO CC[C@@H]1CN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC[C@H]1[NH3+] ZINC000592545859 355623327 /nfs/dbraw/zinc/62/33/27/355623327.db2.gz ZVPXBRODLSDHOH-MWLCHTKSSA-N 1 0 321.333 1.523 20 5 DDBDRO CC(C)O[C@@H]1CCC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000593055559 355781891 /nfs/dbraw/zinc/78/18/91/355781891.db2.gz LQBZPPXGOBDPGM-UONOGXRCSA-N 1 0 312.370 1.042 20 5 DDBDRO C[NH+](C)CC(C)(C)CNC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593390286 355870408 /nfs/dbraw/zinc/87/04/08/355870408.db2.gz DISXWPOOHHBIOP-UHFFFAOYSA-N 1 0 311.357 1.980 20 5 DDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+][C@H](CO)CCF)n1 ZINC000593719455 355975609 /nfs/dbraw/zinc/97/56/09/355975609.db2.gz YMLVWJKKAXCGEZ-QJPTWQEYSA-N 1 0 300.334 1.585 20 5 DDBDRO O=[N+]([O-])c1ccccc1OCCN1CCC([NH2+]CCO)CC1 ZINC000601328238 358499575 /nfs/dbraw/zinc/49/95/75/358499575.db2.gz ISJALDPADIANIH-UHFFFAOYSA-N 1 0 309.366 1.020 20 5 DDBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1C[C@@H](C(N)=O)C1 ZINC000593670814 355962164 /nfs/dbraw/zinc/96/21/64/355962164.db2.gz UJKHOLFQZBMACX-JBLDHEPKSA-N 1 0 320.349 1.165 20 5 DDBDRO Cc1nn(CCC(=O)NCCC2(C[NH3+])CC2)c(C)c1[N+](=O)[O-] ZINC000593915367 356057755 /nfs/dbraw/zinc/05/77/55/356057755.db2.gz VRVHQOKXQJKYJY-UHFFFAOYSA-N 1 0 309.370 1.043 20 5 DDBDRO C[C@H]1CCCN(C(=O)CNc2ccccc2[N+](=O)[O-])[C@H]1CC[NH3+] ZINC000593916235 356058008 /nfs/dbraw/zinc/05/80/08/356058008.db2.gz NRZIVYMZUXXXPD-JSGCOSHPSA-N 1 0 320.393 1.983 20 5 DDBDRO CCO[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c(C)s2)C[C@H]1C[NH3+] ZINC000593916358 356058691 /nfs/dbraw/zinc/05/86/91/356058691.db2.gz IEZJBLPLHFXACP-MWLCHTKSSA-N 1 0 313.379 1.401 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@H](OC2CCC2)C1 ZINC000594026162 356092710 /nfs/dbraw/zinc/09/27/10/356092710.db2.gz DWROADFVBNQBCV-HNNXBMFYSA-N 1 0 321.377 1.790 20 5 DDBDRO O=[N+]([O-])c1ccccc1CNC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000594501973 356238762 /nfs/dbraw/zinc/23/87/62/356238762.db2.gz GNAVEBJPJOMEAZ-HNNXBMFYSA-N 1 0 305.378 1.938 20 5 DDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC[C@@H](C)[NH+](C)C ZINC000594817256 356326230 /nfs/dbraw/zinc/32/62/30/356326230.db2.gz PRSHLFKWBYYIMG-SNVBAGLBSA-N 1 0 315.395 1.522 20 5 DDBDRO C[C@@H]1CCC[C@H](C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])O1 ZINC000594731943 356299889 /nfs/dbraw/zinc/29/98/89/356299889.db2.gz HGPOXHACBNUXKO-HZSPNIEDSA-N 1 0 324.377 1.882 20 5 DDBDRO C[C@@H]1CCC[C@@H](C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])O1 ZINC000594731944 356300139 /nfs/dbraw/zinc/30/01/39/356300139.db2.gz HGPOXHACBNUXKO-MCIONIFRSA-N 1 0 324.377 1.882 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000595032291 356374585 /nfs/dbraw/zinc/37/45/85/356374585.db2.gz MCVGCLPUDOIYEC-ABAIWWIYSA-N 1 0 309.366 1.321 20 5 DDBDRO C[C@H]([NH2+]C[C@@]1(OCCO)CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000595077937 356379054 /nfs/dbraw/zinc/37/90/54/356379054.db2.gz LKENRRMDUNWJEV-WFASDCNBSA-N 1 0 310.350 1.413 20 5 DDBDRO CC[NH2+]CCNS(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC000595103076 356382820 /nfs/dbraw/zinc/38/28/20/356382820.db2.gz WIBMXVFAWJQDIQ-UHFFFAOYSA-N 1 0 301.368 1.099 20 5 DDBDRO C[NH2+]C[C@H](C)NS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000595122463 356386777 /nfs/dbraw/zinc/38/67/77/356386777.db2.gz SVEIHWOKJWTIGS-ZETCQYMHSA-N 1 0 321.786 1.443 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCNC(=O)C1CC1 ZINC000595004801 356370855 /nfs/dbraw/zinc/37/08/55/356370855.db2.gz SZXJAVRICGZBTG-SNVBAGLBSA-N 1 0 307.350 1.780 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NCC1([NH3+])CCCC1 ZINC000595233485 356413756 /nfs/dbraw/zinc/41/37/56/356413756.db2.gz OHKWNYXNMWSHOH-UHFFFAOYSA-N 1 0 308.338 1.996 20 5 DDBDRO COc1ccc(CNC(=O)N(C)CC(C)(C)[NH3+])cc1[N+](=O)[O-] ZINC000595264337 356425277 /nfs/dbraw/zinc/42/52/77/356425277.db2.gz UVPZVZZXPRMEQG-UHFFFAOYSA-N 1 0 310.354 1.482 20 5 DDBDRO C[C@@H](NC(=O)N1CC2CC1(C[NH3+])C2)c1cccc([N+](=O)[O-])c1 ZINC000595264504 356425326 /nfs/dbraw/zinc/42/53/26/356425326.db2.gz ZUTQXWHLRVWJRU-RWWNRMGGSA-N 1 0 304.350 1.789 20 5 DDBDRO O=[N+]([O-])c1ccn(C2CC[NH+](CCO[C@@H]3CC3(F)F)CC2)n1 ZINC000595478576 356509463 /nfs/dbraw/zinc/50/94/63/356509463.db2.gz ARXAXYYAIHHHKT-LLVKDONJSA-N 1 0 316.308 1.852 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[C@@H]1[C@@H](C)O ZINC000595766585 356643951 /nfs/dbraw/zinc/64/39/51/356643951.db2.gz QDPKINPPQGBTGK-VXGBXAGGSA-N 1 0 307.350 1.687 20 5 DDBDRO C[NH2+]C1CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)CC1 ZINC000237072184 202142825 /nfs/dbraw/zinc/14/28/25/202142825.db2.gz MKUGHROEOGRRGD-UHFFFAOYSA-N 1 0 309.391 1.897 20 5 DDBDRO CC(C)NC(=O)[C@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000595852037 356678371 /nfs/dbraw/zinc/67/83/71/356678371.db2.gz XDSVTKUGPDMXES-LBPRGKRZSA-N 1 0 309.370 1.028 20 5 DDBDRO CN(C(=O)C[N@@H+]1CC[C@@H]2COC[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000595829508 356666650 /nfs/dbraw/zinc/66/66/50/356666650.db2.gz IGDDJANBBURVBU-CHWSQXEVSA-N 1 0 319.361 1.526 20 5 DDBDRO C[NH2+]C1CCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000237097910 202153159 /nfs/dbraw/zinc/15/31/59/202153159.db2.gz UWPCRILDCALVML-UHFFFAOYSA-N 1 0 313.379 1.108 20 5 DDBDRO [NH3+]C1(CNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CCCC1 ZINC000595948241 356718454 /nfs/dbraw/zinc/71/84/54/356718454.db2.gz CDZODYAUAUOHDF-UHFFFAOYSA-N 1 0 303.322 1.472 20 5 DDBDRO C[NH2+]C[C@@H](C)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000595984005 356735087 /nfs/dbraw/zinc/73/50/87/356735087.db2.gz SSALPKUWJXFJJQ-LLVKDONJSA-N 1 0 306.366 1.533 20 5 DDBDRO C[C@@H]([NH3+])[C@@H](C)Nc1ccc([N+](=O)[O-])c(N2CCOCC2)c1F ZINC000596014650 356746550 /nfs/dbraw/zinc/74/65/50/356746550.db2.gz UMDNNMHPDDLOBF-NXEZZACHSA-N 1 0 312.345 1.718 20 5 DDBDRO O=[N+]([O-])c1ccc(NC2CC[NH2+]CC2)c(F)c1N1CCOCC1 ZINC000596017001 356747323 /nfs/dbraw/zinc/74/73/23/356747323.db2.gz YLVXPXAXUVPCFK-UHFFFAOYSA-N 1 0 324.356 1.734 20 5 DDBDRO CC1CC[NH+](CCNc2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000596076975 356764152 /nfs/dbraw/zinc/76/41/52/356764152.db2.gz FBAQOBSBURKNMQ-UHFFFAOYSA-N 1 0 306.366 1.838 20 5 DDBDRO C[NH2+]C[C@@H]1CCCN(C(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000237175394 202177067 /nfs/dbraw/zinc/17/70/67/202177067.db2.gz WRRKSRKWSWKCGE-LBPRGKRZSA-N 1 0 307.350 1.432 20 5 DDBDRO C[NH+]1CCC([C@@H]2CCN(c3ccc(N)c([N+](=O)[O-])n3)C2)CC1 ZINC000596175154 356802349 /nfs/dbraw/zinc/80/23/49/356802349.db2.gz PZAQEVRAPUBTSO-GFCCVEGCSA-N 1 0 305.382 1.740 20 5 DDBDRO CN(CC1C[NH+](C)C1)c1c(Br)cncc1[N+](=O)[O-] ZINC000596453719 356884323 /nfs/dbraw/zinc/88/43/23/356884323.db2.gz MJGKZYJFXQATNK-UHFFFAOYSA-N 1 0 315.171 1.750 20 5 DDBDRO C[C@@H]1C[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@@]1(C)CO ZINC000597237038 357105948 /nfs/dbraw/zinc/10/59/48/357105948.db2.gz VZCDNDMKWCXXHT-BZNIZROVSA-N 1 0 322.361 1.816 20 5 DDBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000598453200 357588222 /nfs/dbraw/zinc/58/82/22/357588222.db2.gz PZCFVWQXZXBOJP-OAHLLOKOSA-N 1 0 319.361 1.266 20 5 DDBDRO COc1ccc(CC(=O)N2CC[NH2+][C@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000598569232 357635263 /nfs/dbraw/zinc/63/52/63/357635263.db2.gz BYWARHGQCYDNBC-ZDUSSCGKSA-N 1 0 321.377 1.602 20 5 DDBDRO C[NH2+]C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C1 ZINC000178979644 198963277 /nfs/dbraw/zinc/96/32/77/198963277.db2.gz WGMXJXPHSAORBI-NSHDSACASA-N 1 0 306.366 1.342 20 5 DDBDRO O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000598914393 357756927 /nfs/dbraw/zinc/75/69/27/357756927.db2.gz CAXCRWWDHYONQN-NOZJJQNGSA-N 1 0 308.313 1.950 20 5 DDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CCc2[nH+]ccc(N)c2C1 ZINC000598942409 357767877 /nfs/dbraw/zinc/76/78/77/357767877.db2.gz LOQXORIFNLSASW-UHFFFAOYSA-N 1 0 302.338 1.660 20 5 DDBDRO Cn1cc(C[NH2+]C[C@H]2C[C@@H](O)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000599007604 357791140 /nfs/dbraw/zinc/79/11/40/357791140.db2.gz QJANVMKLKDWNCN-WGRBQBNCSA-N 1 0 316.361 1.856 20 5 DDBDRO O=[N+]([O-])c1ccc(NCC[N@H+]2CC[C@H](O)C2)c(OC(F)F)c1 ZINC000599199639 357847407 /nfs/dbraw/zinc/84/74/07/357847407.db2.gz ODFGSQDGDARXMJ-JTQLQIEISA-N 1 0 317.292 1.675 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000347975361 283312664 /nfs/dbraw/zinc/31/26/64/283312664.db2.gz HZIIGDBQCAKDMB-GFCCVEGCSA-N 1 0 306.366 1.901 20 5 DDBDRO O=[N+]([O-])c1ccccc1OCCN1CC[NH+](CCCF)CC1 ZINC000599667626 358016254 /nfs/dbraw/zinc/01/62/54/358016254.db2.gz HCWFIBRYGIODLR-UHFFFAOYSA-N 1 0 311.357 1.951 20 5 DDBDRO C[NH2+]C1(CNC(=O)CCNc2ccccc2[N+](=O)[O-])CCC1 ZINC000600824285 358326026 /nfs/dbraw/zinc/32/60/26/358326026.db2.gz MISUBEMGHBJJOZ-UHFFFAOYSA-N 1 0 306.366 1.655 20 5 DDBDRO COC(=O)c1cc(NC(=O)[C@@]2(C)CCCC[NH2+]2)cc([N+](=O)[O-])c1 ZINC000180921462 199228450 /nfs/dbraw/zinc/22/84/50/199228450.db2.gz VLYDXVJLAGKICH-OAHLLOKOSA-N 1 0 321.333 1.852 20 5 DDBDRO CCN1C[C@@H](Nc2ccnc3ccc([N+](=O)[O-])cc32)CC1=O ZINC000601170751 358431546 /nfs/dbraw/zinc/43/15/46/358431546.db2.gz DNJXTUPDUZIIBZ-JTQLQIEISA-N 1 0 300.318 1.598 20 5 DDBDRO C[C@H]1C[N@H+](CCO)CCN1c1ccnc2ccc([N+](=O)[O-])cc21 ZINC000601172729 358432448 /nfs/dbraw/zinc/43/24/48/358432448.db2.gz HOACFGCBXCGJGP-LBPRGKRZSA-N 1 0 316.361 1.646 20 5 DDBDRO Cc1cc(S(=O)(=O)NCC2([NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000601449168 358558728 /nfs/dbraw/zinc/55/87/28/358558728.db2.gz UVJQLGILJBGVOL-UHFFFAOYSA-N 1 0 313.379 1.276 20 5 DDBDRO O=C(COc1ccccc1[N+](=O)[O-])N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000601556607 358599384 /nfs/dbraw/zinc/59/93/84/358599384.db2.gz MBBVXSKSAZHWMF-OLZOCXBDSA-N 1 0 319.361 1.574 20 5 DDBDRO C[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CCCOC1 ZINC000348146061 283389714 /nfs/dbraw/zinc/38/97/14/283389714.db2.gz MOKYICQIHYKUCF-YDHLFZDLSA-N 1 0 324.377 1.739 20 5 DDBDRO C[C@@H]1C[C@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H](C)O1 ZINC000601968905 358758460 /nfs/dbraw/zinc/75/84/60/358758460.db2.gz OKFZSHGZEOCGJN-CVMIBZJCSA-N 1 0 310.350 1.490 20 5 DDBDRO Cc1c(NC(=O)CC[N@@H+]2C[C@@H]3COC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000601974854 358761345 /nfs/dbraw/zinc/76/13/45/358761345.db2.gz RPAVUXJBXDCPFT-BETUJISGSA-N 1 0 319.361 1.810 20 5 DDBDRO Cc1cc(C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cc([N+](=O)[O-])c1 ZINC000601975652 358761878 /nfs/dbraw/zinc/76/18/78/358761878.db2.gz MDNQXVRECWSHDE-IYBDPMFKSA-N 1 0 303.362 1.975 20 5 DDBDRO COc1ccc(CC(=O)N[C@]23CCC[C@@H]2C[NH2+]C3)cc1[N+](=O)[O-] ZINC000601976354 358762786 /nfs/dbraw/zinc/76/27/86/358762786.db2.gz WLVYLGRLIDCXNM-WBMJQRKESA-N 1 0 319.361 1.404 20 5 DDBDRO CC1(C)C[NH2+]CC[C@@H](NC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000601978482 358763546 /nfs/dbraw/zinc/76/35/46/358763546.db2.gz YBZZHNNTWNKPQR-GFCCVEGCSA-N 1 0 321.377 1.868 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@H]([NH+](C)C)C2(C)C)n1 ZINC000602174198 358863698 /nfs/dbraw/zinc/86/36/98/358863698.db2.gz SCJIWBKMIMMLEW-MNOVXSKESA-N 1 0 309.370 1.270 20 5 DDBDRO Cc1c(CC(=O)N[C@@H]2CC[NH2+]C23CCC3)cccc1[N+](=O)[O-] ZINC000602535602 359032312 /nfs/dbraw/zinc/03/23/12/359032312.db2.gz ZXSCDRROSIFDGZ-CQSZACIVSA-N 1 0 303.362 1.847 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000602550362 359040711 /nfs/dbraw/zinc/04/07/11/359040711.db2.gz BDTCNIJXZDKJSM-UHFFFAOYSA-N 1 0 316.317 1.668 20 5 DDBDRO CCCNC(=O)[C@@H]1CCC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602455886 358989228 /nfs/dbraw/zinc/98/92/28/358989228.db2.gz ZCBBORNLBMGDSI-LLVKDONJSA-N 1 0 309.370 1.067 20 5 DDBDRO CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000602457951 358991711 /nfs/dbraw/zinc/99/17/11/358991711.db2.gz JXOZLNDWKIJGSN-SWLSCSKDSA-N 1 0 307.350 1.021 20 5 DDBDRO [NH3+][C@@H](CNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1)C1CC1 ZINC000602481219 359007395 /nfs/dbraw/zinc/00/73/95/359007395.db2.gz BPXRXQOWWMTYMP-AWEZNQCLSA-N 1 0 303.362 1.870 20 5 DDBDRO CC[C@H]([NH3+])CNC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000602494463 359014628 /nfs/dbraw/zinc/01/46/28/359014628.db2.gz GVVJFGKTRHEVMU-ZETCQYMHSA-N 1 0 316.155 1.824 20 5 DDBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C1(S(C)(=O)=O)CC1 ZINC000602661710 359108031 /nfs/dbraw/zinc/10/80/31/359108031.db2.gz KJAOXAQTSDHLJZ-NSHDSACASA-N 1 0 312.391 1.693 20 5 DDBDRO COCC[C@@H](COC)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602667220 359114316 /nfs/dbraw/zinc/11/43/16/359114316.db2.gz OCVUDTBLLFOPAO-JTQLQIEISA-N 1 0 309.322 1.877 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H]([C@@H](CO)C1CC1)C1CC1 ZINC000602840110 359230132 /nfs/dbraw/zinc/23/01/32/359230132.db2.gz IVKNFFZYVZKNPI-DZGCQCFKSA-N 1 0 308.382 1.486 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000602797809 359199513 /nfs/dbraw/zinc/19/95/13/359199513.db2.gz DOBVEGQYLQRIPK-ZDUSSCGKSA-N 1 0 319.369 1.103 20 5 DDBDRO CCOC(=O)CC1([NH2+]Cc2cn(C)nc2[N+](=O)[O-])CCCC1 ZINC000602823597 359216864 /nfs/dbraw/zinc/21/68/64/359216864.db2.gz XKRZTOVDOPWWKO-UHFFFAOYSA-N 1 0 310.354 1.684 20 5 DDBDRO Cn1cc(C[N@@H+]2CCC[C@@H](n3ccnn3)CC2)c([N+](=O)[O-])n1 ZINC000602891250 359274590 /nfs/dbraw/zinc/27/45/90/359274590.db2.gz GXUGTXGFKWZRFU-GFCCVEGCSA-N 1 0 305.342 1.147 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@H](O)[C@@H]2CCCC[C@H]21 ZINC000602997843 359346535 /nfs/dbraw/zinc/34/65/35/359346535.db2.gz RXEPSEKECZRDHI-KFWWJZLASA-N 1 0 321.377 1.382 20 5 DDBDRO O=[N+]([O-])c1ccc(OCCn2cc(C3CC[NH2+]CC3)nn2)cc1 ZINC000603200862 359475809 /nfs/dbraw/zinc/47/58/09/359475809.db2.gz KABOQDFBGJYPNP-UHFFFAOYSA-N 1 0 317.349 1.732 20 5 DDBDRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000186682408 199990978 /nfs/dbraw/zinc/99/09/78/199990978.db2.gz QIVSKJMPOUZIJN-IINYFYTJSA-N 1 0 318.377 1.897 20 5 DDBDRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000186712587 199995916 /nfs/dbraw/zinc/99/59/16/199995916.db2.gz OEIOAVMTFPZCCM-GWCFXTLKSA-N 1 0 306.366 1.389 20 5 DDBDRO Cc1cc(N2CCC([N@H+]3CCOC[C@@H]3C)CC2)ncc1[N+](=O)[O-] ZINC000603400380 359616445 /nfs/dbraw/zinc/61/64/45/359616445.db2.gz GZOMUBLASOXKNQ-ZDUSSCGKSA-N 1 0 320.393 1.988 20 5 DDBDRO C[C@H]1COCC[N@@H+]1C1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000603400279 359616726 /nfs/dbraw/zinc/61/67/26/359616726.db2.gz FLKNNBQXFSXPKC-LBPRGKRZSA-N 1 0 306.366 1.679 20 5 DDBDRO Cn1cc(CN2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)c([N+](=O)[O-])n1 ZINC000603429020 359634790 /nfs/dbraw/zinc/63/47/90/359634790.db2.gz LBZSJOQUOXGUSR-KBPBESRZSA-N 1 0 323.397 1.047 20 5 DDBDRO COc1ccc(OCC[NH2+][C@H]2C[C@@H]([NH3+])C2(C)C)c([N+](=O)[O-])c1 ZINC000603430958 359635037 /nfs/dbraw/zinc/63/50/37/359635037.db2.gz DDEHABNBOZKNCT-KGLIPLIRSA-N 1 0 309.366 1.698 20 5 DDBDRO Cn1cc(C[N@@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c([N+](=O)[O-])n1 ZINC000603431399 359636187 /nfs/dbraw/zinc/63/61/87/359636187.db2.gz WTRWYUQXPPVKMW-FPMFFAJLSA-N 1 0 323.397 1.047 20 5 DDBDRO COCCNC(=O)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000603445482 359639804 /nfs/dbraw/zinc/63/98/04/359639804.db2.gz OJMZJSUKDPVPPZ-UHFFFAOYSA-N 1 0 321.377 1.569 20 5 DDBDRO Cc1ccc(NCCCNC(=O)[C@H]2C[C@H](F)C[NH2+]2)c([N+](=O)[O-])c1 ZINC000188608388 200273778 /nfs/dbraw/zinc/27/37/78/200273778.db2.gz AZOCGJMQQXSDCL-WCQYABFASA-N 1 0 324.356 1.521 20 5 DDBDRO O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CC[NH2+]CC1 ZINC000237880590 202377328 /nfs/dbraw/zinc/37/73/28/202377328.db2.gz QPRZBQDRBSJMEY-UHFFFAOYSA-N 1 0 304.350 1.240 20 5 DDBDRO CCCc1n[nH]c(C(=O)N2CCC[C@H]([NH2+]C(C)C)C2)c1[N+](=O)[O-] ZINC000609476892 360311275 /nfs/dbraw/zinc/31/12/75/360311275.db2.gz YEMCCKLJZKAJFI-NSHDSACASA-N 1 0 323.397 1.873 20 5 DDBDRO CCCc1n[nH]c(C(=O)N(C)CCCC[NH+](C)C)c1[N+](=O)[O-] ZINC000610112036 360382852 /nfs/dbraw/zinc/38/28/52/360382852.db2.gz SAMHGNSSJMCEBL-UHFFFAOYSA-N 1 0 311.386 1.684 20 5 DDBDRO C[C@@H]1CC[N@H+](CCNCc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000610395584 360425306 /nfs/dbraw/zinc/42/53/06/360425306.db2.gz JTBJGWDGXNKHMQ-GFCCVEGCSA-N 1 0 321.377 1.797 20 5 DDBDRO COC1CC[NH+](CCNC(=O)c2cc([N+](=O)[O-])cnc2C)CC1 ZINC000610571634 360472470 /nfs/dbraw/zinc/47/24/70/360472470.db2.gz MDWHXXVMERIFQW-UHFFFAOYSA-N 1 0 322.365 1.139 20 5 DDBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000610712469 360512344 /nfs/dbraw/zinc/51/23/44/360512344.db2.gz BWNUIPZHLWDQTB-GXFFZTMASA-N 1 0 321.381 1.125 20 5 DDBDRO O=[N+]([O-])c1ccc2ncnc(N3CCC([NH2+]CCO)CC3)c2c1 ZINC000611713182 360802156 /nfs/dbraw/zinc/80/21/56/360802156.db2.gz ZDRADQOYWAGBQY-UHFFFAOYSA-N 1 0 317.349 1.089 20 5 DDBDRO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000193492197 201063677 /nfs/dbraw/zinc/06/36/77/201063677.db2.gz BNHFNHXHMIKUBQ-NWDGAFQWSA-N 1 0 307.350 1.620 20 5 DDBDRO Cc1nn(CCC(=O)N[C@H]2CCC[NH2+][C@H]2C)c(C)c1[N+](=O)[O-] ZINC000193555707 201074474 /nfs/dbraw/zinc/07/44/74/201074474.db2.gz ICHIZOBKBGGNBO-CABZTGNLSA-N 1 0 309.370 1.055 20 5 DDBDRO CO[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])c(C)s2)[C@@H](C[NH3+])C1 ZINC000359230111 299367139 /nfs/dbraw/zinc/36/71/39/299367139.db2.gz PJKMLQOAZHJWBD-NXEZZACHSA-N 1 0 313.379 1.543 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC3(CC[NH2+]C3)CC2)c1 ZINC000261714058 203099865 /nfs/dbraw/zinc/09/98/65/203099865.db2.gz GKVKJWVBNDWQOR-UHFFFAOYSA-N 1 0 319.361 1.819 20 5 DDBDRO CC(C)(C[NH3+])NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000262001652 203170395 /nfs/dbraw/zinc/17/03/95/203170395.db2.gz BAGAYQRGUXBHTD-UHFFFAOYSA-N 1 0 303.322 1.248 20 5 DDBDRO CC(C)(C[NH3+])NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000262494671 203308365 /nfs/dbraw/zinc/30/83/65/203308365.db2.gz BMPLFFUFAORCRI-UHFFFAOYSA-N 1 0 315.757 1.871 20 5 DDBDRO O=C(NCC[C@H]1CC[NH2+]C1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000262607919 203350239 /nfs/dbraw/zinc/35/02/39/203350239.db2.gz ZRCPIRQUDURCDM-SECBINFHSA-N 1 0 303.322 1.201 20 5 DDBDRO O=C(Cc1ccccc1[N+](=O)[O-])N1CC[NH+](C2CCC2)CC1 ZINC000265048884 204365124 /nfs/dbraw/zinc/36/51/24/204365124.db2.gz ZZYDNAHFJRQART-UHFFFAOYSA-N 1 0 303.362 1.834 20 5 DDBDRO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000266131604 205123975 /nfs/dbraw/zinc/12/39/75/205123975.db2.gz KLKMGVBKCNOIQS-GFCCVEGCSA-N 1 0 306.366 1.871 20 5 DDBDRO Cc1cnc(NCCC[N@@H+]2CCC[C@H]2C(N)=O)c([N+](=O)[O-])c1 ZINC000266226057 205198590 /nfs/dbraw/zinc/19/85/90/205198590.db2.gz RUKOCVKSIIUUQS-NSHDSACASA-N 1 0 307.354 1.050 20 5 DDBDRO C[C@]1(CO)CCC[C@H]1[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000351525464 284361923 /nfs/dbraw/zinc/36/19/23/284361923.db2.gz SKMZSYQXKOZZBE-UKRRQHHQSA-N 1 0 307.350 1.674 20 5 DDBDRO CN(CC(=O)NCCCC[NH+](C)C)c1ccccc1[N+](=O)[O-] ZINC000266317772 205261913 /nfs/dbraw/zinc/26/19/13/205261913.db2.gz PEBRBTAVNUBQNG-UHFFFAOYSA-N 1 0 308.382 1.489 20 5 DDBDRO COC(=O)CC[C@H]([NH3+])C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000288507484 220186175 /nfs/dbraw/zinc/18/61/75/220186175.db2.gz BQLGDWCWDQEJKD-JQWIXIFHSA-N 1 0 323.349 1.361 20 5 DDBDRO COCCN(CC[NH+](C)C)C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000153718240 248301282 /nfs/dbraw/zinc/30/12/82/248301282.db2.gz MWXUXXUOUZEYRC-UHFFFAOYSA-N 1 0 324.381 1.945 20 5 DDBDRO [NH3+]CC[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000307828175 248835731 /nfs/dbraw/zinc/83/57/31/248835731.db2.gz XGGSGUVTCJBHEV-SNVBAGLBSA-N 1 0 305.256 1.533 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2CC[N@@H+](C3CC3)C2)n1 ZINC000336858941 249266479 /nfs/dbraw/zinc/26/64/79/249266479.db2.gz CYOFCGGTDQOVNZ-SECBINFHSA-N 1 0 306.322 1.425 20 5 DDBDRO CC[NH+](CC)CCCNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000041590392 183207255 /nfs/dbraw/zinc/20/72/55/183207255.db2.gz BAZIMTCSFNJZAS-UHFFFAOYSA-N 1 0 309.366 1.822 20 5 DDBDRO Cc1c(NC(=O)CC[NH2+][C@@H](C)[C@@H](C)CO)cccc1[N+](=O)[O-] ZINC000274011435 211267827 /nfs/dbraw/zinc/26/78/27/211267827.db2.gz LTSOIKJFOVKJKP-JQWIXIFHSA-N 1 0 309.366 1.838 20 5 DDBDRO CC[NH+](CC)C[C@H](C)NC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000433756108 284724292 /nfs/dbraw/zinc/72/42/92/284724292.db2.gz DDWBAUSEVWOXJB-JTQLQIEISA-N 1 0 311.386 1.901 20 5 DDBDRO C[N@@H+]1CC[C@H]2OCCN(CCOc3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000284740407 218158125 /nfs/dbraw/zinc/15/81/25/218158125.db2.gz DJIMXOKRVHQONB-JKSUJKDBSA-N 1 0 321.377 1.379 20 5 DDBDRO C[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]C1 ZINC000050163258 183775837 /nfs/dbraw/zinc/77/58/37/183775837.db2.gz ULNYXLXHDOEMLE-GHMZBOCLSA-N 1 0 313.379 1.261 20 5 DDBDRO C[C@H]1C[C@@H](CO)CC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000288597253 220274477 /nfs/dbraw/zinc/27/44/77/220274477.db2.gz DWVZTYJUKVMUTE-QWRGUYRKSA-N 1 0 307.350 1.287 20 5 DDBDRO C[N@@H+]1CC[C@@H](CNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000109992420 194302763 /nfs/dbraw/zinc/30/27/63/194302763.db2.gz HDSYLTDERZKPPQ-VIFPVBQESA-N 1 0 303.322 1.153 20 5 DDBDRO CCCc1n[nH]c(C(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)c1[N+](=O)[O-] ZINC000269213846 207333921 /nfs/dbraw/zinc/33/39/21/207333921.db2.gz QFEGMSBOBUZNAP-VHSXEESVSA-N 1 0 309.370 1.388 20 5 DDBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@H](C[NH+](C)C)C1 ZINC000114198527 194638226 /nfs/dbraw/zinc/63/82/26/194638226.db2.gz JOHJVDOOKAPCHU-QWHCGFSZSA-N 1 0 320.393 1.805 20 5 DDBDRO Cc1ccc(NC2CC[NH+](CC(=O)N(C)C)CC2)c([N+](=O)[O-])c1 ZINC000269963075 208013803 /nfs/dbraw/zinc/01/38/03/208013803.db2.gz VNGOKXWILJBNQG-UHFFFAOYSA-N 1 0 320.393 1.868 20 5 DDBDRO Cc1cc(S(=O)(=O)N[C@H](C)CCC[NH3+])c(C)cc1[N+](=O)[O-] ZINC000579615213 422803543 /nfs/dbraw/zinc/80/35/43/422803543.db2.gz APSFUPHHJGIBTK-LLVKDONJSA-N 1 0 315.395 1.617 20 5 DDBDRO C[NH+]1CCC(C)(CNC(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000272897488 210286160 /nfs/dbraw/zinc/28/61/60/210286160.db2.gz BMNCOKMNWPMMCK-UHFFFAOYSA-N 1 0 305.378 1.985 20 5 DDBDRO O=C1CCCCN1C1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000120279292 195134008 /nfs/dbraw/zinc/13/40/08/195134008.db2.gz NVJURNMZCHIWBT-UHFFFAOYSA-N 1 0 321.381 1.268 20 5 DDBDRO Cc1ccc(NC(=O)c2n[nH]cc2[N+](=O)[O-])c(C[NH+](C)C)c1 ZINC000158227042 197255415 /nfs/dbraw/zinc/25/54/15/197255415.db2.gz LIKYILXVRSZDCM-UHFFFAOYSA-N 1 0 303.322 1.940 20 5 DDBDRO Cc1ccc(NCCCNC(=O)[C@H]2CCC[NH2+]2)c([N+](=O)[O-])c1 ZINC000156935419 197151275 /nfs/dbraw/zinc/15/12/75/197151275.db2.gz HKJCVUWIDRQHNB-CYBMUJFWSA-N 1 0 306.366 1.573 20 5 DDBDRO COC[C@@H](CCO)[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000269030975 285220388 /nfs/dbraw/zinc/22/03/88/285220388.db2.gz SECJKIXCYKJZBZ-CABCVRRESA-N 1 0 308.378 1.903 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@H]1Cc2cccc(O)c2C1 ZINC000429301275 285221807 /nfs/dbraw/zinc/22/18/07/285221807.db2.gz LCWMGCPXQMTJFJ-LBPRGKRZSA-N 1 0 315.329 1.219 20 5 DDBDRO CC(C)[N@H+](C)C[C@@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000289679220 221149728 /nfs/dbraw/zinc/14/97/28/221149728.db2.gz VFGXCJHSQSJODT-LLVKDONJSA-N 1 0 315.395 1.602 20 5 DDBDRO C[C@@H]1CSC[C@@H]1[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000352814321 285318184 /nfs/dbraw/zinc/31/81/84/285318184.db2.gz HIGLWPLXNPIMQH-QKCSRTOESA-N 1 0 312.391 1.676 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000414659850 533226024 /nfs/dbraw/zinc/22/60/24/533226024.db2.gz UGKFNGXEUFFOQN-LLVKDONJSA-N 1 0 324.337 1.185 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000414649816 533225925 /nfs/dbraw/zinc/22/59/25/533225925.db2.gz CMZZLCVXASDYSP-NXEZZACHSA-N 1 0 308.338 1.804 20 5 DDBDRO O=[N+]([O-])c1cc(Cl)cnc1N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000294998560 224368627 /nfs/dbraw/zinc/36/86/27/224368627.db2.gz REXBEPDGAPARAB-LLVKDONJSA-N 1 0 314.773 1.902 20 5 DDBDRO CO[C@H]1CCN(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)[C@@H](C[NH3+])C1 ZINC000414666965 224370513 /nfs/dbraw/zinc/37/05/13/224370513.db2.gz XEIIRWABCPWWDF-OLZOCXBDSA-N 1 0 322.365 1.873 20 5 DDBDRO Cc1ccc(C[NH2+][C@@H]2CCCN(CCCO)C2)cc1[N+](=O)[O-] ZINC000295035222 224393144 /nfs/dbraw/zinc/39/31/44/224393144.db2.gz DMOOQPKSAURVRD-OAHLLOKOSA-N 1 0 307.394 1.840 20 5 DDBDRO C[C@@H]([NH2+]C[C@@H](O)c1cnn(C)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294640351 533415850 /nfs/dbraw/zinc/41/58/50/533415850.db2.gz GHIQXAKNWXQHQZ-YMTOWFKASA-N 1 0 305.338 1.295 20 5 DDBDRO COc1cc(C(=O)N2CCC3(CC[NH2+]3)CC2)cc([N+](=O)[O-])c1C ZINC000424050531 533516836 /nfs/dbraw/zinc/51/68/36/533516836.db2.gz DLGPGHFELOLCJO-UHFFFAOYSA-N 1 0 319.361 1.880 20 5 DDBDRO COc1ccc(CNC(=O)NCC[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000417186907 533611445 /nfs/dbraw/zinc/61/14/45/533611445.db2.gz FVEIWZSNVUQQQY-NSHDSACASA-N 1 0 322.365 1.402 20 5 DDBDRO O=[N+]([O-])c1ccccc1N1CCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000261953090 296514923 /nfs/dbraw/zinc/51/49/23/296514923.db2.gz OHSUIGBCKLMTMA-AWEZNQCLSA-N 1 0 304.394 1.716 20 5 DDBDRO C[C@@H]1CN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)[C@@H](C)C[NH2+]1 ZINC000568858478 304316334 /nfs/dbraw/zinc/31/63/34/304316334.db2.gz DJLTYQUGROUXJA-BDAKNGLRSA-N 1 0 303.322 1.430 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@@H]([NH3+])C[C@@H]1C ZINC000569017352 304330874 /nfs/dbraw/zinc/33/08/74/304330874.db2.gz IRDZNEBTSJTOKK-WDEREUQCSA-N 1 0 322.365 1.354 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000569095399 304336247 /nfs/dbraw/zinc/33/62/47/304336247.db2.gz UZEYCZDTISLFIS-MFKMUULPSA-N 1 0 307.350 1.851 20 5 DDBDRO C[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1cncc(F)c1 ZINC000361135094 299805580 /nfs/dbraw/zinc/80/55/80/299805580.db2.gz KBTRKXLOZLNOCO-TVQRCGJNSA-N 1 0 309.301 1.037 20 5 DDBDRO COCC[N@H+](C)CCNC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000068336845 406633133 /nfs/dbraw/zinc/63/31/33/406633133.db2.gz IGTGBAFALUPENP-BQYQJAHWSA-N 1 0 307.350 1.302 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@H]([NH3+])C(C)C ZINC000070447449 406817066 /nfs/dbraw/zinc/81/70/66/406817066.db2.gz LTQKDZCALDOOLC-JTQLQIEISA-N 1 0 301.368 1.165 20 5 DDBDRO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)C[NH+]1CCN(C)CC1 ZINC000074137811 406902872 /nfs/dbraw/zinc/90/28/72/406902872.db2.gz WCVPUIDYCJZLLB-ZDUSSCGKSA-N 1 0 320.393 1.208 20 5 DDBDRO O=[N+]([O-])c1ccc(CS(=O)(=O)NC[C@@H]2CCCC[NH2+]2)cc1 ZINC000044492741 407024686 /nfs/dbraw/zinc/02/46/86/407024686.db2.gz FSFSJDXXTYHHPD-LBPRGKRZSA-N 1 0 313.379 1.156 20 5 DDBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@H]2CCS(=O)(=O)C2)c1 ZINC000038083255 406999320 /nfs/dbraw/zinc/99/93/20/406999320.db2.gz QAFUYMOVXREHNJ-SECBINFHSA-N 1 0 318.782 1.773 20 5 DDBDRO C[C@@H]1CN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)[C@H](C)C[NH2+]1 ZINC000086468651 407111253 /nfs/dbraw/zinc/11/12/53/407111253.db2.gz JITAZQSPHZCTQY-GHMZBOCLSA-N 1 0 313.379 1.107 20 5 DDBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NC[C@H]1CCC[NH2+]1 ZINC000053254413 407165027 /nfs/dbraw/zinc/16/50/27/407165027.db2.gz WCBICELUQZQFPO-SECBINFHSA-N 1 0 319.770 1.279 20 5 DDBDRO CC(C)CNC(=O)NC(=O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180426879 306694884 /nfs/dbraw/zinc/69/48/84/306694884.db2.gz SHCIRDNRSPZXPR-LLVKDONJSA-N 1 0 322.365 1.727 20 5 DDBDRO CC[NH2+]CCNS(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000054266187 407181204 /nfs/dbraw/zinc/18/12/04/407181204.db2.gz QMLLJHOIIUYPBJ-UHFFFAOYSA-N 1 0 301.368 1.099 20 5 DDBDRO COCC[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000054353622 407183179 /nfs/dbraw/zinc/18/31/79/407183179.db2.gz HTNQFYOOUPPZBR-UHFFFAOYSA-N 1 0 311.338 1.510 20 5 DDBDRO CC(C)(C[NH2+]Cc1ccccc1[N+](=O)[O-])NS(C)(=O)=O ZINC000067005573 407265440 /nfs/dbraw/zinc/26/54/40/407265440.db2.gz LRDJGBNROKXDEX-UHFFFAOYSA-N 1 0 301.368 1.012 20 5 DDBDRO CC[NH+]1CCN(CCNC(=O)c2ccc([N+](=O)[O-])cc2C)CC1 ZINC000124448404 407359197 /nfs/dbraw/zinc/35/91/97/407359197.db2.gz CFAYHVIQYSGRED-UHFFFAOYSA-N 1 0 320.393 1.271 20 5 DDBDRO CC[NH+]1CCC(NC(=O)Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000124514904 407360673 /nfs/dbraw/zinc/36/06/73/407360673.db2.gz QHJJELSDNLYTRY-UHFFFAOYSA-N 1 0 309.341 1.877 20 5 DDBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2c([N+](=O)[O-])cnn2C)C1 ZINC000125318251 407384740 /nfs/dbraw/zinc/38/47/40/407384740.db2.gz XWULYPYTFVDLCE-NSHDSACASA-N 1 0 309.370 1.132 20 5 DDBDRO COC(=O)C(C)(C)C[NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000151803813 407502292 /nfs/dbraw/zinc/50/22/92/407502292.db2.gz CBEHHQCCRLOHEE-JTQLQIEISA-N 1 0 323.349 1.711 20 5 DDBDRO CC[C@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000270968060 407442631 /nfs/dbraw/zinc/44/26/31/407442631.db2.gz VTLDDFAQAVVHFE-SMDDNHRTSA-N 1 0 307.350 1.626 20 5 DDBDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000185802897 407508437 /nfs/dbraw/zinc/50/84/37/407508437.db2.gz JHLOCUNSEWBDMT-QWRGUYRKSA-N 1 0 308.338 1.298 20 5 DDBDRO C[NH2+][C@@H]1CCCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000261744518 407599013 /nfs/dbraw/zinc/59/90/13/407599013.db2.gz LBOCLZHNKUUVLB-CYBMUJFWSA-N 1 0 320.393 1.916 20 5 DDBDRO Cc1nn(CCC(=O)N2CCC([C@@H](C)[NH3+])CC2)c(C)c1[N+](=O)[O-] ZINC000178869749 407632543 /nfs/dbraw/zinc/63/25/43/407632543.db2.gz NXLLXOLWVPAIGZ-SNVBAGLBSA-N 1 0 323.397 1.384 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@@]3(C2)OCc2ccccc23)n1 ZINC000186710287 407751981 /nfs/dbraw/zinc/75/19/81/407751981.db2.gz NQLIWFXVMFZZMB-INIZCTEOSA-N 1 0 314.345 1.923 20 5 DDBDRO CC[C@H](O)C[NH+]1CCN(Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000267066801 407736723 /nfs/dbraw/zinc/73/67/23/407736723.db2.gz UUKYQARTQPIDBJ-AWEZNQCLSA-N 1 0 311.357 1.622 20 5 DDBDRO Cc1c(NC(=O)[C@H](C)[N@H+](C)CC(C)(C)O)cccc1[N+](=O)[O-] ZINC000267150789 407768009 /nfs/dbraw/zinc/76/80/09/407768009.db2.gz MMVJBPXZXMBNKS-NSHDSACASA-N 1 0 309.366 1.933 20 5 DDBDRO O=C(Cn1ccc([N+](=O)[O-])n1)NC1CC[NH+](C2CCCC2)CC1 ZINC000267173150 407778509 /nfs/dbraw/zinc/77/85/09/407778509.db2.gz VSFCHCJXZLXDOE-UHFFFAOYSA-N 1 0 321.381 1.315 20 5 DDBDRO COc1cc(C[NH2+]C[C@@H]2CCCN2C)c([N+](=O)[O-])cc1OC ZINC000237242204 407807393 /nfs/dbraw/zinc/80/73/93/407807393.db2.gz CUPRTEHPFSMQJY-LBPRGKRZSA-N 1 0 309.366 1.796 20 5 DDBDRO COC[C@H](O)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000117946353 407873120 /nfs/dbraw/zinc/87/31/20/407873120.db2.gz YFJMKSXDCYDUOY-CYBMUJFWSA-N 1 0 306.318 1.952 20 5 DDBDRO C[C@H]([NH2+]C[C@H](O)COC[C@@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000180428557 407887890 /nfs/dbraw/zinc/88/78/90/407887890.db2.gz IXBLNTIZCAZINJ-RCBQFDQVSA-N 1 0 324.377 1.802 20 5 DDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC[C@H]1CCC[NH2+]C1 ZINC000237812750 407845537 /nfs/dbraw/zinc/84/55/37/407845537.db2.gz STXVVPVDWHKNFE-JTQLQIEISA-N 1 0 311.769 1.907 20 5 DDBDRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000154060549 407965962 /nfs/dbraw/zinc/96/59/62/407965962.db2.gz OOHUVZBFGXWWDP-CQSZACIVSA-N 1 0 321.377 1.772 20 5 DDBDRO Cc1c(CC(=O)NCC2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000119007559 407974835 /nfs/dbraw/zinc/97/48/35/407974835.db2.gz VYCYRHUPGWFISN-UHFFFAOYSA-N 1 0 305.378 1.904 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC[N@@H+](C)C(C)C ZINC000188142991 407918579 /nfs/dbraw/zinc/91/85/79/407918579.db2.gz DOTFCWOROZBHBC-UHFFFAOYSA-N 1 0 315.395 1.522 20 5 DDBDRO Cc1cc(S(=O)(=O)N2CC[NH2+][C@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000262786318 407930734 /nfs/dbraw/zinc/93/07/34/407930734.db2.gz QMLARHRTXPHLEL-MNOVXSKESA-N 1 0 313.379 1.274 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CCC(C3OCCO3)CC2)c1 ZINC000153920090 407933433 /nfs/dbraw/zinc/93/34/33/407933433.db2.gz DROVTNNXWJUQGC-OAHLLOKOSA-N 1 0 322.361 1.713 20 5 DDBDRO C[C@]1(CNC(=O)COc2cccc([N+](=O)[O-])c2)CCC[NH2+]C1 ZINC000273026488 408025267 /nfs/dbraw/zinc/02/52/67/408025267.db2.gz RJJGIAKDBXPXCR-HNNXBMFYSA-N 1 0 307.350 1.480 20 5 DDBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CC[NH2+]C1 ZINC000273038529 408030540 /nfs/dbraw/zinc/03/05/40/408030540.db2.gz OKYTXWCYBOADJB-WDEREUQCSA-N 1 0 309.391 1.801 20 5 DDBDRO Cc1cc(N2CC[NH+](CCC(=O)N(C)C)CC2)ccc1[N+](=O)[O-] ZINC000268390367 408022709 /nfs/dbraw/zinc/02/27/09/408022709.db2.gz MBMIQVVSCQBPDA-UHFFFAOYSA-N 1 0 320.393 1.504 20 5 DDBDRO CCC[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])CC(C)(C)O ZINC000268505721 408073263 /nfs/dbraw/zinc/07/32/63/408073263.db2.gz BEJDHNNMDPOWNZ-UHFFFAOYSA-N 1 0 309.366 1.677 20 5 DDBDRO C[C@H](O)C[C@H]1CCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182242495 408103033 /nfs/dbraw/zinc/10/30/33/408103033.db2.gz LTJHUTQBLAQSHH-MJBXVCDLSA-N 1 0 324.377 1.570 20 5 DDBDRO C[NH2+]CCCNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000121383141 408197517 /nfs/dbraw/zinc/19/75/17/408197517.db2.gz ZEALQAYFJPZZMY-UHFFFAOYSA-N 1 0 303.322 1.120 20 5 DDBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@@H](C[NH+](C)C)C1 ZINC000246353154 408231542 /nfs/dbraw/zinc/23/15/42/408231542.db2.gz JOHJVDOOKAPCHU-STQMWFEESA-N 1 0 320.393 1.805 20 5 DDBDRO COc1cc(C(=O)N2CC[C@H]([NH+](C)C)C2)c([N+](=O)[O-])cc1OC ZINC000170856122 162195384 /nfs/dbraw/zinc/19/53/84/162195384.db2.gz IPYNRHBTCILKRG-JTQLQIEISA-N 1 0 323.349 1.388 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000171447395 162219007 /nfs/dbraw/zinc/21/90/07/162219007.db2.gz MLXJUZOKJCKVMP-CYBMUJFWSA-N 1 0 319.361 1.914 20 5 DDBDRO Cc1ccc([C@@H]2CN(CCn3ccc([N+](=O)[O-])n3)CCO2)o1 ZINC000159119881 408384118 /nfs/dbraw/zinc/38/41/18/408384118.db2.gz KWITVAQQYHKYRJ-ZDUSSCGKSA-N 1 0 306.322 1.766 20 5 DDBDRO O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000173282380 162330172 /nfs/dbraw/zinc/33/01/72/162330172.db2.gz MUMSSJVNWSKRKU-CYBMUJFWSA-N 1 0 321.381 1.172 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@@]3(CC=CCC3)C2)c1 ZINC000173751628 162361883 /nfs/dbraw/zinc/36/18/83/162361883.db2.gz ZHBOBZRHYAULQB-HOTGVXAUSA-N 1 0 320.393 1.975 20 5 DDBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000247311822 408450595 /nfs/dbraw/zinc/45/05/95/408450595.db2.gz HMGIBVXCJZTOJJ-IUODEOHRSA-N 1 0 321.377 1.772 20 5 DDBDRO Cc1cc(C(=O)N2CC[C@@H](C[NH+](C)C)C2)c(N)c([N+](=O)[O-])c1 ZINC000176690469 408418631 /nfs/dbraw/zinc/41/86/31/408418631.db2.gz MABVVNDOEGIVIM-NSHDSACASA-N 1 0 306.366 1.509 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCCN(c3ccccn3)CC2)n1 ZINC000183833107 408499227 /nfs/dbraw/zinc/49/92/27/408499227.db2.gz CXKJGGOIKBEOSC-UHFFFAOYSA-N 1 0 316.365 1.399 20 5 DDBDRO CC[N@H+](CCO)CCNC(=O)/C(C)=C/c1ccc([N+](=O)[O-])cc1 ZINC000183985440 408525745 /nfs/dbraw/zinc/52/57/45/408525745.db2.gz WWJDBSVIQVOCRK-OUKQBFOZSA-N 1 0 321.377 1.429 20 5 DDBDRO Cc1ccc(C[NH+](C)C)cc1NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000177304606 408574903 /nfs/dbraw/zinc/57/49/03/408574903.db2.gz SQBSYTLIXXVRCM-UHFFFAOYSA-N 1 0 317.349 1.800 20 5 DDBDRO C[C@H](c1ccccn1)[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000270680761 408633553 /nfs/dbraw/zinc/63/35/53/408633553.db2.gz URCSPOHINMCOLU-YPMHNXCESA-N 1 0 305.338 1.240 20 5 DDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H](C[NH3+])C1 ZINC000178908581 162701125 /nfs/dbraw/zinc/70/11/25/162701125.db2.gz HULSKRCTQQVGBE-JTQLQIEISA-N 1 0 313.379 1.127 20 5 DDBDRO CC[C@H]([NH3+])C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000161976733 408658630 /nfs/dbraw/zinc/65/86/30/408658630.db2.gz KJKHUIIIXYAYII-AWEZNQCLSA-N 1 0 307.350 1.702 20 5 DDBDRO C[NH+](C)CC[C@@H](NC(=O)c1cc([N+](=O)[O-])cnc1N)C(C)(C)C ZINC000184647063 408663876 /nfs/dbraw/zinc/66/38/76/408663876.db2.gz KFCIGFHHJWIZIY-GFCCVEGCSA-N 1 0 323.397 1.668 20 5 DDBDRO Cc1ccc(C)c(S(=O)(=O)N[C@@H](C[NH3+])C2CC2)c1[N+](=O)[O-] ZINC000193294232 408708487 /nfs/dbraw/zinc/70/84/87/408708487.db2.gz TYIUNYNLYPACMT-NSHDSACASA-N 1 0 313.379 1.227 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000193398614 408716990 /nfs/dbraw/zinc/71/69/90/408716990.db2.gz WVZPRUIPQATBIB-BXKDBHETSA-N 1 0 313.379 1.180 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NCC1=CC[N@H+](C)CC1 ZINC000275831882 408689364 /nfs/dbraw/zinc/68/93/64/408689364.db2.gz YMZWJAJCLJAMAZ-UHFFFAOYSA-N 1 0 320.349 1.987 20 5 DDBDRO CO[C@@H]1C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[C@H]1C ZINC000251604256 408782443 /nfs/dbraw/zinc/78/24/43/408782443.db2.gz FWNVTPSLKZWTNH-QMTHXVAHSA-N 1 0 307.350 1.551 20 5 DDBDRO COCC[NH+]1CCC(NC(=O)c2cc(C)cc([N+](=O)[O-])c2)CC1 ZINC000194426512 408782471 /nfs/dbraw/zinc/78/24/71/408782471.db2.gz KITNLFBYQUJVKI-UHFFFAOYSA-N 1 0 321.377 1.744 20 5 DDBDRO COc1cccc(NCC2CC[NH+](CCO)CC2)c1[N+](=O)[O-] ZINC000185367209 408801325 /nfs/dbraw/zinc/80/13/25/408801325.db2.gz WXVOBXDTBHYRLN-UHFFFAOYSA-N 1 0 309.366 1.720 20 5 DDBDRO COC(=O)c1cnc(N[C@H]2CC[N@@H+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000276553291 408881764 /nfs/dbraw/zinc/88/17/64/408881764.db2.gz KODXESWOJLJMHU-NSHDSACASA-N 1 0 308.338 1.671 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)N[C@H](C)C[N@@H+](C)C(C)C)c1[N+](=O)[O-] ZINC000290859521 408845051 /nfs/dbraw/zinc/84/50/51/408845051.db2.gz ADFBHCKBVNGQST-SNVBAGLBSA-N 1 0 311.386 1.900 20 5 DDBDRO CCN(CCC[NH+]1CCCC1)C(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000276424984 408854614 /nfs/dbraw/zinc/85/46/14/408854614.db2.gz JQBVCXWGPHSACE-UHFFFAOYSA-N 1 0 323.397 1.434 20 5 DDBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N1CC[NH+]2CCC1CC2 ZINC000188848111 163073315 /nfs/dbraw/zinc/07/33/15/163073315.db2.gz XMPPBLZRHSSZPE-UHFFFAOYSA-N 1 0 319.361 1.670 20 5 DDBDRO C[C@@H]1COCC[C@H]1[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000277568200 408966351 /nfs/dbraw/zinc/96/63/51/408966351.db2.gz UWPAPSVWFHZQEM-VXGBXAGGSA-N 1 0 307.350 1.938 20 5 DDBDRO C[C@@H]1C[N@H+](CCCNc2ncc([N+](=O)[O-])s2)CCCO1 ZINC000281999010 408969188 /nfs/dbraw/zinc/96/91/88/408969188.db2.gz UDJBOBYHJDLXBC-SNVBAGLBSA-N 1 0 300.384 1.964 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000277638640 408982477 /nfs/dbraw/zinc/98/24/77/408982477.db2.gz TUHZCGDKHVQUOJ-HZMBPMFUSA-N 1 0 319.361 1.816 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000277833039 409020137 /nfs/dbraw/zinc/02/01/37/409020137.db2.gz IIGRLRWSEGUVDZ-ZDUSSCGKSA-N 1 0 321.381 1.233 20 5 DDBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000287413384 409033853 /nfs/dbraw/zinc/03/38/53/409033853.db2.gz ZOHKURQVQWIZFL-CMPLNLGQSA-N 1 0 320.349 1.394 20 5 DDBDRO Cc1c(NC(=O)CC[N@H+]2CC[C@H]([C@H](C)O)C2)cccc1[N+](=O)[O-] ZINC000248529512 163596909 /nfs/dbraw/zinc/59/69/09/163596909.db2.gz DSAWPCPXUKTZTM-STQMWFEESA-N 1 0 321.377 1.935 20 5 DDBDRO C[C@@H]1CN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@H](C)[N@H+]1C ZINC000293425310 409111053 /nfs/dbraw/zinc/11/10/53/409111053.db2.gz NIWCFUDNCHPELC-HZSPNIEDSA-N 1 0 323.393 1.359 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000293503903 409126049 /nfs/dbraw/zinc/12/60/49/409126049.db2.gz SQWNLWLMQQCBOA-ZWNOBZJWSA-N 1 0 323.324 1.323 20 5 DDBDRO CC(C)(C)[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CC(N)=O ZINC000283292916 409130214 /nfs/dbraw/zinc/13/02/14/409130214.db2.gz MSTPOZIUTSWEQQ-UHFFFAOYSA-N 1 0 322.365 1.509 20 5 DDBDRO C[C@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293872861 409198561 /nfs/dbraw/zinc/19/85/61/409198561.db2.gz VACFQQYKYWAMPZ-STQMWFEESA-N 1 0 321.425 1.464 20 5 DDBDRO CC[C@@H](NC(=O)[C@@H]([NH3+])CCC(=O)OC)c1cccc([N+](=O)[O-])c1 ZINC000288830873 409184971 /nfs/dbraw/zinc/18/49/71/409184971.db2.gz UZVWDRFEWQFCIA-QWHCGFSZSA-N 1 0 323.349 1.443 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC(C)(C)C[NH3+] ZINC000262770614 163876175 /nfs/dbraw/zinc/87/61/75/163876175.db2.gz VUBVQGUICKYZOU-UHFFFAOYSA-N 1 0 301.368 1.227 20 5 DDBDRO C[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)CC(C)(C)CO ZINC000295164059 409350850 /nfs/dbraw/zinc/35/08/50/409350850.db2.gz FRTXTPVWMKNYMN-ZDUSSCGKSA-N 1 0 312.366 1.285 20 5 DDBDRO C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CCN2CCO[C@H]1C2 ZINC000295389142 409460944 /nfs/dbraw/zinc/46/09/44/409460944.db2.gz KZODMTYQMSYXRX-JYJNAYRXSA-N 1 0 321.377 1.033 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H](C)CCC[NH3+])cc1C ZINC000314169121 164013262 /nfs/dbraw/zinc/01/32/62/164013262.db2.gz NBPRCHPZVNMQOL-LLVKDONJSA-N 1 0 315.395 1.617 20 5 DDBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000318746110 164033536 /nfs/dbraw/zinc/03/35/36/164033536.db2.gz YGRJQQHAHLLALN-JTQLQIEISA-N 1 0 310.329 1.482 20 5 DDBDRO CNc1c(C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)cccc1[N+](=O)[O-] ZINC000324009200 164049246 /nfs/dbraw/zinc/04/92/46/164049246.db2.gz NQLAIUFRNHSLCE-INIZCTEOSA-N 1 0 318.377 1.804 20 5 DDBDRO CC(C)[N@@H+]1CCC[C@@H](CNc2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000290694980 409490005 /nfs/dbraw/zinc/49/00/05/409490005.db2.gz VDGLIZLEIRVDKA-NSHDSACASA-N 1 0 321.381 1.621 20 5 DDBDRO CCN(C)C(=O)[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000296451089 409559769 /nfs/dbraw/zinc/55/97/69/409559769.db2.gz WNRMNDLJBUKSPA-GJZGRUSLSA-N 1 0 323.393 1.721 20 5 DDBDRO C[C@@H]1CN(C(=O)NCCc2ccccc2[N+](=O)[O-])C[C@H](C)[N@H+]1C ZINC000296300777 409497574 /nfs/dbraw/zinc/49/75/74/409497574.db2.gz COBSTDSNBQEITK-BETUJISGSA-N 1 0 320.393 1.871 20 5 DDBDRO CN(C[C@H]1CCC[N@H+](C)C1)c1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000342406695 409602222 /nfs/dbraw/zinc/60/22/22/409602222.db2.gz HWYPSNYELUMMQM-NSHDSACASA-N 1 0 306.366 1.472 20 5 DDBDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000356891008 409690731 /nfs/dbraw/zinc/69/07/31/409690731.db2.gz WCVYAGCNCZKOSW-QWHCGFSZSA-N 1 0 320.393 1.948 20 5 DDBDRO [NH3+]CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)C(F)(F)F ZINC000307824123 409780387 /nfs/dbraw/zinc/78/03/87/409780387.db2.gz RYFHEFBLWMXHIC-SECBINFHSA-N 1 0 309.219 1.743 20 5 DDBDRO O=C(NC1CC[NH+](C2CCC2)CC1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000297313255 409905846 /nfs/dbraw/zinc/90/58/46/409905846.db2.gz YRFDMRRIZCOVND-UHFFFAOYSA-N 1 0 320.349 1.442 20 5 DDBDRO C[NH+](C)C[C@@H]1CCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000357099119 409872721 /nfs/dbraw/zinc/87/27/21/409872721.db2.gz URPWJGDLHQTNJO-ZDUSSCGKSA-N 1 0 309.341 1.829 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCOC[C@@H]1C ZINC000297929881 410050894 /nfs/dbraw/zinc/05/08/94/410050894.db2.gz RCTCQSDATWFAFU-NSHDSACASA-N 1 0 323.349 1.653 20 5 DDBDRO CC[N@@H+]1CC[C@@H]2OCCN(Cc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000339389467 410150433 /nfs/dbraw/zinc/15/04/33/410150433.db2.gz CCSAYMMOILPBAN-HOTGVXAUSA-N 1 0 305.378 1.890 20 5 DDBDRO COC(=O)[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)[C@@H]1C ZINC000346695007 410088900 /nfs/dbraw/zinc/08/89/00/410088900.db2.gz XRTIGVQTGIDDNE-ZWNOBZJWSA-N 1 0 308.334 1.987 20 5 DDBDRO Cc1cccc(C[N@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1C ZINC000298236615 410144659 /nfs/dbraw/zinc/14/46/59/410144659.db2.gz IJHGZKDSSORGMO-INIZCTEOSA-N 1 0 318.377 1.901 20 5 DDBDRO CN(C)C(=O)NCC[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000355065542 410280216 /nfs/dbraw/zinc/28/02/16/410280216.db2.gz ZHTFFCWILVQLQO-UHFFFAOYSA-N 1 0 310.354 1.177 20 5 DDBDRO Cn1cc([N+](=O)[O-])c(C(=O)Nc2cc(C[NH+](C)C)ccn2)n1 ZINC000357914143 410324177 /nfs/dbraw/zinc/32/41/77/410324177.db2.gz RGAOPMSSXXBUNE-UHFFFAOYSA-N 1 0 304.310 1.037 20 5 DDBDRO C[NH+](C)C1(CNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CCCC1 ZINC000298841928 410421597 /nfs/dbraw/zinc/42/15/97/410421597.db2.gz GYVRGHLYIKPBBM-UHFFFAOYSA-N 1 0 308.338 1.300 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000352013315 410411983 /nfs/dbraw/zinc/41/19/83/410411983.db2.gz IPRQUWYDWRMPJD-WDEREUQCSA-N 1 0 309.370 1.041 20 5 DDBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H]1COCCO1 ZINC000358230649 410412570 /nfs/dbraw/zinc/41/25/70/410412570.db2.gz YPSTUNXUZNRYJN-RISCZKNCSA-N 1 0 323.349 1.317 20 5 DDBDRO CC[NH+]1CCN(CC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000352189771 410533553 /nfs/dbraw/zinc/53/35/53/410533553.db2.gz JBANOZDZYLGADV-UHFFFAOYSA-N 1 0 310.329 1.310 20 5 DDBDRO C[C@H]1[C@@H](NC(=O)NCc2ccccc2[N+](=O)[O-])CCC[N@@H+]1C ZINC000343609415 410567535 /nfs/dbraw/zinc/56/75/35/410567535.db2.gz SJUUGEFOEVFGRD-AAEUAGOBSA-N 1 0 306.366 1.877 20 5 DDBDRO COCC[N@@H+]1CCCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000299213248 410570111 /nfs/dbraw/zinc/57/01/11/410570111.db2.gz HTDYELCWEUDVGJ-UHFFFAOYSA-N 1 0 307.350 1.389 20 5 DDBDRO CCC[N@@H+]1CCC[C@@H]1CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000343583945 410552706 /nfs/dbraw/zinc/55/27/06/410552706.db2.gz ZIULSRCPHGZWRU-GFCCVEGCSA-N 1 0 323.397 1.517 20 5 DDBDRO C[C@H](C[NH3+])NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000347690038 410669480 /nfs/dbraw/zinc/66/94/80/410669480.db2.gz MBUMGJVXRYPECM-SSDOTTSWSA-N 1 0 316.155 1.363 20 5 DDBDRO NC(=O)[C@H]1CCC[N@H+](CCCNc2ccc([N+](=O)[O-])cc2F)C1 ZINC000301197145 410674858 /nfs/dbraw/zinc/67/48/58/410674858.db2.gz UQYJELUQTGODTP-NSHDSACASA-N 1 0 324.356 1.733 20 5 DDBDRO CC[NH+]1CCC(NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC1 ZINC000330440576 410693780 /nfs/dbraw/zinc/69/37/80/410693780.db2.gz OTLQZOIYCXAVJB-UHFFFAOYSA-N 1 0 309.370 1.127 20 5 DDBDRO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000343807241 410715224 /nfs/dbraw/zinc/71/52/24/410715224.db2.gz TURNZJDZRXJHQL-NEPJUHHUSA-N 1 0 323.397 1.948 20 5 DDBDRO Cc1nn(C)c(N2CCC(C[NH+]3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000301250449 410683311 /nfs/dbraw/zinc/68/33/11/410683311.db2.gz CXODTBXHKCLRNN-UHFFFAOYSA-N 1 0 323.397 1.185 20 5 DDBDRO Cc1nc(N(C)CC2CC[NH+](C[C@@H](C)O)CC2)ccc1[N+](=O)[O-] ZINC000301629396 410760403 /nfs/dbraw/zinc/76/04/03/410760403.db2.gz ILSILDWESGNFQN-GFCCVEGCSA-N 1 0 322.409 1.827 20 5 DDBDRO COc1cc(C[NH2+]C[C@@]2(OC)CCOC2)c([N+](=O)[O-])cc1O ZINC000359622479 410776028 /nfs/dbraw/zinc/77/60/28/410776028.db2.gz GYWHKZLILUTZTA-AWEZNQCLSA-N 1 0 312.322 1.204 20 5 DDBDRO CC(C)CN(C(=O)c1c([N+](=O)[O-])cnn1C)C1CC[NH+](C)CC1 ZINC000330585914 410800918 /nfs/dbraw/zinc/80/09/18/410800918.db2.gz XCSUWUZVWZPTPI-UHFFFAOYSA-N 1 0 323.397 1.521 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+]C(C)(C)C(C)(C)O ZINC000356257408 410925823 /nfs/dbraw/zinc/92/58/23/410925823.db2.gz UGIIDUGYCUFPNM-UHFFFAOYSA-N 1 0 309.366 1.981 20 5 DDBDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3c([N+](=O)[O-])ncn3C)[C@@H]2C1 ZINC000344121219 410970864 /nfs/dbraw/zinc/97/08/64/410970864.db2.gz SROWEOZZHYDDFD-XQQFMLRXSA-N 1 0 321.381 1.065 20 5 DDBDRO C[C@@H]1C[C@H](CO)CC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000344133177 410979222 /nfs/dbraw/zinc/97/92/22/410979222.db2.gz PVXWHSINWAOKJG-MGPQQGTHSA-N 1 0 324.377 1.427 20 5 DDBDRO CN(C)CC[N@H+](C)CCCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000356500216 411057143 /nfs/dbraw/zinc/05/71/43/411057143.db2.gz DNRFUSMFKOMQHG-UHFFFAOYSA-N 1 0 308.382 1.208 20 5 DDBDRO COc1cccc(C(=O)N(C)C2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000331222647 411025616 /nfs/dbraw/zinc/02/56/16/411025616.db2.gz KZHIXQQDRICNPJ-UHFFFAOYSA-N 1 0 307.350 1.770 20 5 DDBDRO Cc1c(CC(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000331426581 411084637 /nfs/dbraw/zinc/08/46/37/411084637.db2.gz VCCZXDJVSPJGCL-CYBMUJFWSA-N 1 0 303.362 1.799 20 5 DDBDRO Cn1nc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000356459637 411041705 /nfs/dbraw/zinc/04/17/05/411041705.db2.gz CCYSYHFZNZNSKL-LLVKDONJSA-N 1 0 307.354 1.029 20 5 DDBDRO CS[C@H]1CN(c2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000271628941 209076117 /nfs/dbraw/zinc/07/61/17/209076117.db2.gz NINLTHNWWAMWJU-STQMWFEESA-N 1 0 324.406 1.176 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CC[C@H]2CCOC2)c1 ZINC000580769794 422952389 /nfs/dbraw/zinc/95/23/89/422952389.db2.gz IQMNXPPXPBXXQM-GXTWGEPZSA-N 1 0 310.350 1.351 20 5 DDBDRO CO[C@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)CC1(C)C ZINC000295908390 225368055 /nfs/dbraw/zinc/36/80/55/225368055.db2.gz HJGRIXHMGOEQPN-ZDUSSCGKSA-N 1 0 309.366 1.503 20 5 DDBDRO CC[C@@H]1CN(CCn2cc([N+](=O)[O-])cn2)C[C@@]2(CCOC2)O1 ZINC000373805514 418462014 /nfs/dbraw/zinc/46/20/14/418462014.db2.gz ODQZJDFEPCJMAA-ZIAGYGMSSA-N 1 0 310.354 1.061 20 5 DDBDRO C[C@H]1CCOCC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000374992223 418586498 /nfs/dbraw/zinc/58/64/98/418586498.db2.gz WLEHDDKDNVWDMB-GXTWGEPZSA-N 1 0 310.350 1.445 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000338646130 418620405 /nfs/dbraw/zinc/62/04/05/418620405.db2.gz CLQBMKQMDYXPEU-UHFFFAOYSA-N 1 0 317.349 1.914 20 5 DDBDRO Cc1cc(N2CC[C@H](N3CC[NH2+]CC3)C2)c(F)cc1[N+](=O)[O-] ZINC000390682853 418755450 /nfs/dbraw/zinc/75/54/50/418755450.db2.gz UZPCDQFIVALELD-LBPRGKRZSA-N 1 0 308.357 1.526 20 5 DDBDRO CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000354008016 306768580 /nfs/dbraw/zinc/76/85/80/306768580.db2.gz HBWSVRMKCMSNMY-VXGBXAGGSA-N 1 0 323.397 1.948 20 5 DDBDRO C[C@H]1C[N@H+](C)CCN1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000408071342 418785802 /nfs/dbraw/zinc/78/58/02/418785802.db2.gz JVBCXBDCTJSHJD-NSHDSACASA-N 1 0 307.350 1.597 20 5 DDBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3c(N)cccc3[N+](=O)[O-])C[C@@H]21 ZINC000371559687 418800863 /nfs/dbraw/zinc/80/08/63/418800863.db2.gz AHDIACKQTAIOBH-GWCFXTLKSA-N 1 0 304.350 1.343 20 5 DDBDRO COc1cc(N2CCC[N@@H+]([C@@H](C)CO)CC2)ccc1[N+](=O)[O-] ZINC000364954103 418828236 /nfs/dbraw/zinc/82/82/36/418828236.db2.gz JLGDKYDOJOHHQG-LBPRGKRZSA-N 1 0 309.366 1.496 20 5 DDBDRO CCCc1n[nH]c(C(=O)N2CC[C@@]3(CCC[C@H]3[NH3+])C2)c1[N+](=O)[O-] ZINC000372788094 418902299 /nfs/dbraw/zinc/90/22/99/418902299.db2.gz TXJCABZQDQUKNR-ABAIWWIYSA-N 1 0 321.381 1.614 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000424075493 228224985 /nfs/dbraw/zinc/22/49/85/228224985.db2.gz PHKCZGKDTBOMTL-MDZLAQPJSA-N 1 0 323.397 1.322 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)n1 ZINC000424073535 228225030 /nfs/dbraw/zinc/22/50/30/228225030.db2.gz MPISHBXUJXWGFG-VWYCJHECSA-N 1 0 309.370 1.257 20 5 DDBDRO CCC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC(N)=O ZINC000411763643 419399724 /nfs/dbraw/zinc/39/97/24/419399724.db2.gz ZLKOUKRSHVYGMB-UHFFFAOYSA-N 1 0 308.338 1.121 20 5 DDBDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000417942520 419404947 /nfs/dbraw/zinc/40/49/47/419404947.db2.gz OEMJOMZVJZMTSQ-WCQYABFASA-N 1 0 306.366 1.516 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@H](CCO)CC1 ZINC000421008006 419443690 /nfs/dbraw/zinc/44/36/90/419443690.db2.gz CXJLJVBUCSCBLY-ZDUSSCGKSA-N 1 0 309.366 1.241 20 5 DDBDRO COc1ccc(C[NH2+][C@@H](CO)[C@@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000411993537 419552235 /nfs/dbraw/zinc/55/22/35/419552235.db2.gz LNHJITFQZPTNJN-OLZOCXBDSA-N 1 0 310.350 1.481 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[N@H+](C)CC[C@@H]1C ZINC000426899510 419569519 /nfs/dbraw/zinc/56/95/19/419569519.db2.gz UXUFCCGJMVHLSB-NSHDSACASA-N 1 0 307.350 1.770 20 5 DDBDRO O=C(NCC[C@@H]1CC[NH2+]C1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000418346613 419730775 /nfs/dbraw/zinc/73/07/75/419730775.db2.gz UVCBMQCXRBOXJV-LBPRGKRZSA-N 1 0 318.377 1.662 20 5 DDBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000418376591 419754659 /nfs/dbraw/zinc/75/46/59/419754659.db2.gz UWMHDHRAZFSNPU-ZDUSSCGKSA-N 1 0 306.366 1.531 20 5 DDBDRO CC[C@H](O)C[NH2+]Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000422123310 419849706 /nfs/dbraw/zinc/84/97/06/419849706.db2.gz RLAXHZHVHZQPJI-NSHDSACASA-N 1 0 312.322 1.007 20 5 DDBDRO CCOC1(C)CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000428729201 419920673 /nfs/dbraw/zinc/92/06/73/419920673.db2.gz MOMMKVCPEKGGCS-CYBMUJFWSA-N 1 0 312.370 1.043 20 5 DDBDRO C[C@H](CCC[NH3+])NC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000418693949 419937126 /nfs/dbraw/zinc/93/71/26/419937126.db2.gz VEEIYCWJDUQNQQ-GFCCVEGCSA-N 1 0 308.382 1.906 20 5 DDBDRO O=[N+]([O-])c1cccc(-c2ccc(CNC[C@@H]3C[NH2+]CCO3)o2)c1 ZINC000415095710 419941637 /nfs/dbraw/zinc/94/16/37/419941637.db2.gz NTDHKMWCJDVLEJ-HNNXBMFYSA-N 1 0 317.345 1.933 20 5 DDBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@@H](C1CC1)[C@@H]1CNCCO1 ZINC000422786650 419968229 /nfs/dbraw/zinc/96/82/29/419968229.db2.gz LBZGHCQZSDQBGL-HOTGVXAUSA-N 1 0 305.378 1.494 20 5 DDBDRO C[C@@H]1[C@H](C)[NH2+]CCN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000436046677 229444360 /nfs/dbraw/zinc/44/43/60/229444360.db2.gz CARLWKIWSPHMEB-NWDGAFQWSA-N 1 0 306.366 1.240 20 5 DDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000415261182 419999014 /nfs/dbraw/zinc/99/90/14/419999014.db2.gz DANPCZYSNCXJDF-LLVKDONJSA-N 1 0 320.349 1.045 20 5 DDBDRO C[C@@H]1CC[C@H]([N@H+](CCO)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000429794232 420049318 /nfs/dbraw/zinc/04/93/18/420049318.db2.gz WTQKGLWUFBGJIV-RISCZKNCSA-N 1 0 321.377 1.677 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000423476856 420057877 /nfs/dbraw/zinc/05/78/77/420057877.db2.gz SRUUXHKCECSHQR-QWRGUYRKSA-N 1 0 307.350 1.803 20 5 DDBDRO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000415627291 420128087 /nfs/dbraw/zinc/12/80/87/420128087.db2.gz BBHCPWCOCCOMSA-TVQRCGJNSA-N 1 0 308.313 1.950 20 5 DDBDRO COc1ccc(OCCN[C@](C)(C[NH3+])C2CC2)c([N+](=O)[O-])c1 ZINC000430562469 420139442 /nfs/dbraw/zinc/13/94/42/420139442.db2.gz RMYGMIGXXZPZGK-OAHLLOKOSA-N 1 0 309.366 1.699 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC000415493885 420089113 /nfs/dbraw/zinc/08/91/13/420089113.db2.gz DFGGNMDJWGJWEX-AWEZNQCLSA-N 1 0 308.338 1.852 20 5 DDBDRO [NH3+]C[C@H]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000420289908 420184686 /nfs/dbraw/zinc/18/46/86/420184686.db2.gz ILSFKEYMCUSDKH-SECBINFHSA-N 1 0 312.757 1.467 20 5 DDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)C1CC([NH3+])C1 ZINC000415808924 420185442 /nfs/dbraw/zinc/18/54/42/420185442.db2.gz MNWLJVNTPGZOHZ-UHFFFAOYSA-N 1 0 320.349 1.044 20 5 DDBDRO C[C@@H]1CN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC[C@H]1[NH3+] ZINC000430919996 420204348 /nfs/dbraw/zinc/20/43/48/420204348.db2.gz SRWMEWTUQRQIRG-ZWNOBZJWSA-N 1 0 317.349 1.814 20 5 DDBDRO Cc1c(NC(=O)[C@H](C)N2C[C@H](C)[NH2+][C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000430928402 420210277 /nfs/dbraw/zinc/21/02/77/420210277.db2.gz LIVVSEGQJKQHJI-GVXVVHGQSA-N 1 0 320.393 1.912 20 5 DDBDRO CCCC[C@H]([NH3+])C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000423828418 420213955 /nfs/dbraw/zinc/21/39/55/420213955.db2.gz QAQQOMYGFJJCPO-LBPRGKRZSA-N 1 0 309.370 1.472 20 5 DDBDRO C[C@@H]1CC[NH2+][C@@H](C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1 ZINC000423830168 420215277 /nfs/dbraw/zinc/21/52/77/420215277.db2.gz TWKWKVXVBANWRW-DGCLKSJQSA-N 1 0 321.381 1.343 20 5 DDBDRO CCOC(=O)c1ccnc(N2CC[C@@H](C)C[C@H]2C[NH3+])c1[N+](=O)[O-] ZINC000420254598 420169505 /nfs/dbraw/zinc/16/95/05/420169505.db2.gz DOTCKYKSYMAQNU-MNOVXSKESA-N 1 0 322.365 1.730 20 5 DDBDRO [NH3+]C[C@@H]1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000430940013 420215973 /nfs/dbraw/zinc/21/59/73/420215973.db2.gz IKCJTUHZXJLYEO-JTQLQIEISA-N 1 0 303.322 1.425 20 5 DDBDRO C[C@H]1CN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@H](C)[NH2+]1 ZINC000430951274 420221329 /nfs/dbraw/zinc/22/13/29/420221329.db2.gz LBALZXDGZPKCMS-QWRGUYRKSA-N 1 0 317.349 1.827 20 5 DDBDRO CN(C(=O)CN[C@@H]1CC[NH2+]CC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000420372556 420243321 /nfs/dbraw/zinc/24/33/21/420243321.db2.gz YFQXVRBYPUIINK-CQSZACIVSA-N 1 0 320.393 1.535 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000433775382 420253996 /nfs/dbraw/zinc/25/39/96/420253996.db2.gz QUPDZYUWPHOVHM-NSHDSACASA-N 1 0 321.381 1.750 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@H](C)CCC[NH3+])c1C ZINC000420442170 420289995 /nfs/dbraw/zinc/28/99/95/420289995.db2.gz PNSZETDMRDICEI-SNVBAGLBSA-N 1 0 315.395 1.617 20 5 DDBDRO CN(C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)[C@H](C[NH3+])C1CC1 ZINC000423949472 420280186 /nfs/dbraw/zinc/28/01/86/420280186.db2.gz MVHGOFHWGJPDBL-GFCCVEGCSA-N 1 0 303.322 1.280 20 5 DDBDRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000416303860 420321966 /nfs/dbraw/zinc/32/19/66/420321966.db2.gz HMXGOVLBYDOHJA-QWHCGFSZSA-N 1 0 321.377 1.051 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[NH2+][C@H](C)[C@@H]1C ZINC000436055213 420304686 /nfs/dbraw/zinc/30/46/86/420304686.db2.gz IZJJNKMTWICSDW-NEPJUHHUSA-N 1 0 306.366 1.524 20 5 DDBDRO CN1C(=O)NCC12CC[NH+](CCc1ccc([N+](=O)[O-])cc1)CC2 ZINC000425548391 420415580 /nfs/dbraw/zinc/41/55/80/420415580.db2.gz WMRPFFCBCWOSDW-UHFFFAOYSA-N 1 0 318.377 1.627 20 5 DDBDRO COCC[C@@]1([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)CCOC1 ZINC000447080129 230331197 /nfs/dbraw/zinc/33/11/97/230331197.db2.gz ZAKZBKPTPDGULV-OAHLLOKOSA-N 1 0 310.350 1.889 20 5 DDBDRO C[C@H](C[NH3+])N(C)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000417710260 420458261 /nfs/dbraw/zinc/45/82/61/420458261.db2.gz CXNIUNKLQOWXRR-GFCCVEGCSA-N 1 0 308.382 1.906 20 5 DDBDRO CC[C@@H]([NH3+])CNC(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-] ZINC000417717128 420459000 /nfs/dbraw/zinc/45/90/00/420459000.db2.gz MPIXWRLFWIPPHX-GFCCVEGCSA-N 1 0 323.397 1.742 20 5 DDBDRO Cc1ccc(NCCCNC(=O)N[C@H](C)[C@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000417715353 420459617 /nfs/dbraw/zinc/45/96/17/420459617.db2.gz JYSWCQMVDYEMQI-NWDGAFQWSA-N 1 0 323.397 1.740 20 5 DDBDRO CC[C@@H]1C[N@H+](CC)CCN1c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000450832981 420541976 /nfs/dbraw/zinc/54/19/76/420541976.db2.gz SGTVFKXGQMRYSA-SNVBAGLBSA-N 1 0 307.354 1.009 20 5 DDBDRO C[C@H]1C[C@@H](NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000442132919 420671893 /nfs/dbraw/zinc/67/18/93/420671893.db2.gz QKSDANHFBDIYED-JQWIXIFHSA-N 1 0 320.349 1.132 20 5 DDBDRO C[C@H]1C[C@@H](C[NH3+])CN1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000442767207 420711058 /nfs/dbraw/zinc/71/10/58/420711058.db2.gz QFOQTKFETMIELU-RYUDHWBXSA-N 1 0 318.377 1.153 20 5 DDBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1COC[C@H]1O ZINC000453352548 420722953 /nfs/dbraw/zinc/72/29/53/420722953.db2.gz QHEBJQCMLXXVOP-DMDPSCGWSA-N 1 0 312.391 1.815 20 5 DDBDRO C[NH+](C)CC=CC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000493159031 420774257 /nfs/dbraw/zinc/77/42/57/420774257.db2.gz GKOLCNFNEVGFJY-ARJAWSKDSA-N 1 0 303.322 1.205 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC2(CCC2)[C@H]2COC[C@H]21 ZINC000459657317 420841686 /nfs/dbraw/zinc/84/16/86/420841686.db2.gz FQDQOCPPLVNBHD-UONOGXRCSA-N 1 0 319.361 1.257 20 5 DDBDRO C[NH+](C)CCCC(C)(C)NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000455035497 420960559 /nfs/dbraw/zinc/96/05/59/420960559.db2.gz HHVFSIMDHRSGNJ-UHFFFAOYSA-N 1 0 309.370 1.654 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC(=O)N(C2CC2)C1 ZINC000449223013 420972736 /nfs/dbraw/zinc/97/27/36/420972736.db2.gz IYYWOMVUKNSYNM-DGCLKSJQSA-N 1 0 303.362 1.879 20 5 DDBDRO [NH3+][C@H]1C[C@H](NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000479757445 420986111 /nfs/dbraw/zinc/98/61/11/420986111.db2.gz RLJZRRYXKGPFHY-LJGSYFOKSA-N 1 0 305.743 1.016 20 5 DDBDRO CC[N@@H+]1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])c(NC)n2)C1 ZINC000454924945 420944278 /nfs/dbraw/zinc/94/42/78/420944278.db2.gz LFYJYRSMSLIPJO-JTQLQIEISA-N 1 0 307.354 1.103 20 5 DDBDRO CNc1nc(C(=O)NC[C@@H](CC(C)C)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000455637728 421047633 /nfs/dbraw/zinc/04/76/33/421047633.db2.gz JNOYQCUJUOIZDF-LLVKDONJSA-N 1 0 323.397 1.738 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N[C@H]1C[NH2+]CCC1(F)F ZINC000449661178 421050257 /nfs/dbraw/zinc/05/02/57/421050257.db2.gz ZHPQAGYIYLNNJM-NSHDSACASA-N 1 0 315.276 1.087 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])c(NC[C@H]2CCCC[N@@H+]2CCO)n1 ZINC000450609718 421217009 /nfs/dbraw/zinc/21/70/09/421217009.db2.gz FZSZMAYFWBSXJI-CYBMUJFWSA-N 1 0 308.382 1.865 20 5 DDBDRO CCCc1n[nH]c(C(=O)NCC[N@@H+]2CC[C@H](C)C2)c1[N+](=O)[O-] ZINC000525803885 421303679 /nfs/dbraw/zinc/30/36/79/421303679.db2.gz XYXAXFMQIPQLIY-JTQLQIEISA-N 1 0 309.370 1.342 20 5 DDBDRO CC(C)Oc1nc(NCCOCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000514678730 421446811 /nfs/dbraw/zinc/44/68/11/421446811.db2.gz FIHSWIDGFLTTHE-UHFFFAOYSA-N 1 0 312.370 1.767 20 5 DDBDRO C[NH+](C)CCCC1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC000514988919 421470209 /nfs/dbraw/zinc/47/02/09/421470209.db2.gz GMXAGSUZXDKXPI-UHFFFAOYSA-N 1 0 309.370 1.512 20 5 DDBDRO Cc1cnc(N2CCC[C@H]([NH+]3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000563424077 421507731 /nfs/dbraw/zinc/50/77/31/421507731.db2.gz QLJLBPAMQRVKFF-AWEZNQCLSA-N 1 0 320.393 1.989 20 5 DDBDRO CNc1ccc(C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000516768243 421567057 /nfs/dbraw/zinc/56/70/57/421567057.db2.gz OQJDRJSTNKAIQU-NEPJUHHUSA-N 1 0 306.366 1.884 20 5 DDBDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cc([N+](=O)[O-])cn1C ZINC000516382877 421542605 /nfs/dbraw/zinc/54/26/05/421542605.db2.gz MXEAFSRGTQFWER-GFCCVEGCSA-N 1 0 308.382 1.928 20 5 DDBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])cn1C)[N@@H+]1CCCC[C@H]1C ZINC000518219672 421646068 /nfs/dbraw/zinc/64/60/68/421646068.db2.gz KWOKYFZKZOMHLP-NEPJUHHUSA-N 1 0 308.382 1.926 20 5 DDBDRO CCCN(CC[NH+]1CCCCC1)C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000554638127 421656811 /nfs/dbraw/zinc/65/68/11/421656811.db2.gz WVYLRILZVLXOKY-UHFFFAOYSA-N 1 0 309.370 1.656 20 5 DDBDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000556321753 421709033 /nfs/dbraw/zinc/70/90/33/421709033.db2.gz HARCNJZARQDTRO-UMNHJUIQSA-N 1 0 307.354 1.120 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)[C@@H]1CC[NH2+]C1 ZINC000520231141 421742191 /nfs/dbraw/zinc/74/21/91/421742191.db2.gz FVWLRYJDUMFZTQ-CYBMUJFWSA-N 1 0 306.366 1.526 20 5 DDBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC000559368080 421833767 /nfs/dbraw/zinc/83/37/67/421833767.db2.gz VCGRNVOGNFSVKU-TXEJJXNPSA-N 1 0 323.397 1.806 20 5 DDBDRO Cc1cccc(C)c1CC[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000521030879 421769869 /nfs/dbraw/zinc/76/98/69/421769869.db2.gz GPEOWMNLFBSFAU-HNNXBMFYSA-N 1 0 318.377 1.601 20 5 DDBDRO O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[C@H]1CCCCC[NH2+]1 ZINC000521625994 421795486 /nfs/dbraw/zinc/79/54/86/421795486.db2.gz BWKAYBDSBCJNOR-GFCCVEGCSA-N 1 0 303.322 1.942 20 5 DDBDRO COC(=O)CC1([NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000582065987 422101024 /nfs/dbraw/zinc/10/10/24/422101024.db2.gz LSYVWUHNXTUMJR-UHFFFAOYSA-N 1 0 321.333 1.243 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCC[C@H](CO)C1 ZINC000583500129 422172829 /nfs/dbraw/zinc/17/28/29/422172829.db2.gz NMNMCGNOQPODDP-BFHYXJOUSA-N 1 0 324.377 1.475 20 5 DDBDRO COc1ccc(CN2CC[NH2+]C[C@H]2C(F)F)cc1[N+](=O)[O-] ZINC000574756873 422174134 /nfs/dbraw/zinc/17/41/34/422174134.db2.gz GDHCXOZBZSBNKX-NSHDSACASA-N 1 0 301.293 1.642 20 5 DDBDRO Cc1cc(C(=O)NC[C@@]2(O)C[NH+]3CCC2CC3)cc([N+](=O)[O-])c1 ZINC000576066995 422364882 /nfs/dbraw/zinc/36/48/82/422364882.db2.gz BIOOXZSSCNXPKP-MRXNPFEDSA-N 1 0 319.361 1.090 20 5 DDBDRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1c(N)cccc1[N+](=O)[O-])C2 ZINC000597710152 422389710 /nfs/dbraw/zinc/38/97/10/422389710.db2.gz IJXUXVJQJFKMKS-MRXNPFEDSA-N 1 0 318.377 1.735 20 5 DDBDRO C[NH+](C)C1(CNc2ccc3ncc([N+](=O)[O-])n3n2)CCCC1 ZINC000611239636 422475599 /nfs/dbraw/zinc/47/55/99/422475599.db2.gz ZBSMAIRAZGTFMP-UHFFFAOYSA-N 1 0 304.354 1.924 20 5 DDBDRO C[C@H]1C[C@@H]([NH3+])CCN1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000578903696 422673695 /nfs/dbraw/zinc/67/36/95/422673695.db2.gz SRWYXPNYDZOJJZ-AAEUAGOBSA-N 1 0 318.377 1.296 20 5 DDBDRO C[NH+](C)[C@@H](CNC(=O)CCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000087154753 263331013 /nfs/dbraw/zinc/33/10/13/263331013.db2.gz GKCVZESXHMLVAZ-HNNXBMFYSA-N 1 0 305.378 1.984 20 5 DDBDRO O=C(/C=C\c1ccccc1[N+](=O)[O-])NCCCN1CC[NH2+]CC1 ZINC000319695268 271022958 /nfs/dbraw/zinc/02/29/58/271022958.db2.gz LRACMAKEKXBBKM-SREVYHEPSA-N 1 0 318.377 1.020 20 5 DDBDRO NC(=O)c1cccc(NC2CC[NH+](C3CC3)CC2)c1[N+](=O)[O-] ZINC000341421166 271062418 /nfs/dbraw/zinc/06/24/18/271062418.db2.gz OXKUAZPFOIGKIF-UHFFFAOYSA-N 1 0 304.350 1.732 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1Sc1nnc([C@@H]2CCC[NH2+]C2)n1C ZINC000344435108 272025746 /nfs/dbraw/zinc/02/57/46/272025746.db2.gz NXVHGVAPUMJBNX-MRVPVSSYSA-N 1 0 323.382 1.075 20 5 DDBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CCS(=O)(=O)C1 ZINC000344790482 272119318 /nfs/dbraw/zinc/11/93/18/272119318.db2.gz JDNNYXMECXEMQE-YLBKJLTLSA-N 1 0 310.375 1.775 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CCC([NH2+]C3CC3)CC2)n1 ZINC000281194561 274003923 /nfs/dbraw/zinc/00/39/23/274003923.db2.gz ORLYQOPJYINYDB-UHFFFAOYSA-N 1 0 320.349 1.497 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@@H]([NH+]3CC=CC3)C2)n1 ZINC000286647998 274004289 /nfs/dbraw/zinc/00/42/89/274004289.db2.gz CDMLWJOGTBUVOX-LLVKDONJSA-N 1 0 318.333 1.227 20 5 DDBDRO C[C@@H](O)C[NH+]1CCN(c2ccnc3c2cccc3[N+](=O)[O-])CC1 ZINC000432150068 274271463 /nfs/dbraw/zinc/27/14/63/274271463.db2.gz AUFBJHKWGXLPTG-GFCCVEGCSA-N 1 0 316.361 1.646 20 5 DDBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NCCC[NH3+])CC1 ZINC000160115781 275942442 /nfs/dbraw/zinc/94/24/42/275942442.db2.gz MHEJFJZDWQFGBU-UHFFFAOYSA-N 1 0 320.393 1.910 20 5 DDBDRO CCC[C@@H]([NH3+])C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000236925496 276023591 /nfs/dbraw/zinc/02/35/91/276023591.db2.gz UZUJRXYFSOVOOR-GFCCVEGCSA-N 1 0 306.366 1.371 20 5 DDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[NH2+]CC1 ZINC000122844821 276673787 /nfs/dbraw/zinc/67/37/87/276673787.db2.gz YZOURSYPIZVXLA-UHFFFAOYSA-N 1 0 313.379 1.141 20 5 DDBDRO C[N@@H+]1CCC[C@H]2CN(c3ccc(C(N)=O)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000133614716 277084565 /nfs/dbraw/zinc/08/45/65/277084565.db2.gz SOPMXKQHYALAQB-STQMWFEESA-N 1 0 318.377 1.614 20 5 DDBDRO CC(C)([NH2+]CCCN1C(=O)CNC1=O)c1ccccc1[N+](=O)[O-] ZINC000292128146 277309573 /nfs/dbraw/zinc/30/95/73/277309573.db2.gz KZLGOFNGIBUHQF-UHFFFAOYSA-N 1 0 320.349 1.361 20 5 DDBDRO CO[C@]1(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CCOC1 ZINC000447591757 277778803 /nfs/dbraw/zinc/77/88/03/277778803.db2.gz FIKPYVQXHQJZFV-IPYPFGDCSA-N 1 0 324.381 1.670 20 5 DDBDRO C[C@@H](C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)C1C[NH2+]C1 ZINC000261965853 278192951 /nfs/dbraw/zinc/19/29/51/278192951.db2.gz YJAUACLPYLVTCD-GFCCVEGCSA-N 1 0 318.377 1.099 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000228074805 278747069 /nfs/dbraw/zinc/74/70/69/278747069.db2.gz VOVUQSBZXHMHED-GHMZBOCLSA-N 1 0 313.379 1.261 20 5 DDBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)CC[N@H+](C)C1CC1 ZINC000186758734 279237314 /nfs/dbraw/zinc/23/73/14/279237314.db2.gz FVECSPLNBAMNCT-GFCCVEGCSA-N 1 0 320.393 1.948 20 5 DDBDRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000237438820 279404539 /nfs/dbraw/zinc/40/45/39/279404539.db2.gz PGEXQKUKFZQQAM-ZANVPECISA-N 1 0 322.321 1.845 20 5 DDBDRO Cc1cc(C)c(S(=O)(=O)N2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000193231726 280395119 /nfs/dbraw/zinc/39/51/19/280395119.db2.gz HNEBSCGVDSLGDI-UHFFFAOYSA-N 1 0 313.379 1.196 20 5 DDBDRO CC[NH+](CC)CC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000063758988 280918026 /nfs/dbraw/zinc/91/80/26/280918026.db2.gz RQSPJMFMWKWPIW-UHFFFAOYSA-N 1 0 320.393 1.585 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(NCCCC[NH+]2CCN(C)CC2)n1 ZINC000121247661 281135031 /nfs/dbraw/zinc/13/50/31/281135031.db2.gz BKQUGGNEHQNUNB-UHFFFAOYSA-N 1 0 307.398 1.738 20 5 DDBDRO CC1(C)C[NH2+]CC[C@@H]1NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000261726658 281279797 /nfs/dbraw/zinc/27/97/97/281279797.db2.gz NXMMHQMWYBWMLX-LBPRGKRZSA-N 1 0 313.379 1.261 20 5 DDBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NCC[NH3+])cc2[N+](=O)[O-])C1 ZINC000237561565 297233210 /nfs/dbraw/zinc/23/32/10/297233210.db2.gz QOOOEVAZLQJDJN-VXGBXAGGSA-N 1 0 320.393 1.766 20 5 DDBDRO [NH3+]C[C@H]1CC[C@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000573000058 304569229 /nfs/dbraw/zinc/56/92/29/304569229.db2.gz KRMLSCXMIKFFDZ-UWVGGRQHSA-N 1 0 321.333 1.223 20 5 DDBDRO Cn1c(C(=O)NC2CC([NH+]3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000357880745 299012140 /nfs/dbraw/zinc/01/21/40/299012140.db2.gz QTSAGVPEOBGOOG-UHFFFAOYSA-N 1 0 306.366 1.680 20 5 DDBDRO O=C(Nc1ccncc1[N+](=O)[O-])N1CCC2(CC[NH2+]CC2)CC1 ZINC000574293538 304645047 /nfs/dbraw/zinc/64/50/47/304645047.db2.gz BDQDZOIFIXFJMH-UHFFFAOYSA-N 1 0 319.365 1.409 20 5 DDBDRO COCCO[C@H]1COCC[C@@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000362507284 300081569 /nfs/dbraw/zinc/08/15/69/300081569.db2.gz DPSHTBXLNPJEAJ-RYUDHWBXSA-N 1 0 316.379 1.566 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCOCC1 ZINC000363379584 300260266 /nfs/dbraw/zinc/26/02/66/300260266.db2.gz SQCQMPWRLQTTOL-UHFFFAOYSA-N 1 0 323.349 1.654 20 5 DDBDRO O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)[C@H]1C[C@@H]1[N+](=O)[O-] ZINC000363616939 300288256 /nfs/dbraw/zinc/28/82/56/300288256.db2.gz YRKJPJBDRCESJV-GJZGRUSLSA-N 1 0 321.352 1.572 20 5 DDBDRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc([N+](=O)[O-])s1 ZINC000363692486 300297045 /nfs/dbraw/zinc/29/70/45/300297045.db2.gz MRNJLXFDICYABA-VHSXEESVSA-N 1 0 311.363 1.249 20 5 DDBDRO O=C(c1ccc([N+](=O)[O-])cn1)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000363877258 300320341 /nfs/dbraw/zinc/32/03/41/300320341.db2.gz UGILMMBVZONAEV-WHOFXGATSA-N 1 0 316.361 1.546 20 5 DDBDRO Cc1n[nH]c(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000299569309 300898727 /nfs/dbraw/zinc/89/87/27/300898727.db2.gz VSMKMJIHPLJPOA-LBPRGKRZSA-N 1 0 317.349 1.659 20 5 DDBDRO O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000368370217 301013008 /nfs/dbraw/zinc/01/30/08/301013008.db2.gz NVHCNHPUMGKHPR-UWVGGRQHSA-N 1 0 301.705 1.678 20 5 DDBDRO Nc1ccc(C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1[N+](=O)[O-] ZINC000368611925 301063471 /nfs/dbraw/zinc/06/34/71/301063471.db2.gz JNAWVVSVMCUDSH-SDDRHHMPSA-N 1 0 304.350 1.376 20 5 DDBDRO O=C1NCCCC[C@@H]1[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369012313 301119131 /nfs/dbraw/zinc/11/91/31/301119131.db2.gz UWTKDQWGXVZDII-YPMHNXCESA-N 1 0 307.354 1.097 20 5 DDBDRO C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000369998240 301254731 /nfs/dbraw/zinc/25/47/31/301254731.db2.gz QRCPFOHZFWNPPX-FVQBIDKESA-N 1 0 317.389 1.775 20 5 DDBDRO CC[C@H]1C[N@@H+]2CCCC[C@H]2CN1Cc1c([N+](=O)[O-])ncn1C ZINC000375869463 302007717 /nfs/dbraw/zinc/00/77/17/302007717.db2.gz AGBULJABLODGJF-STQMWFEESA-N 1 0 307.398 1.777 20 5 DDBDRO NC(=O)c1cc([N+](=O)[O-])cnc1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000377362861 302173074 /nfs/dbraw/zinc/17/30/74/302173074.db2.gz QSSHTEFZDMSRPO-VHSXEESVSA-N 1 0 305.338 1.127 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CCc2[nH]cnc2C1 ZINC000378203175 302292496 /nfs/dbraw/zinc/29/24/96/302292496.db2.gz RQXVKIVJJWPSNM-JTQLQIEISA-N 1 0 300.318 1.914 20 5 DDBDRO C[C@@H]1C[C@@H](C)N(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000397318189 302353182 /nfs/dbraw/zinc/35/31/82/302353182.db2.gz MCIQNUJOSRLGSM-GYSYKLTISA-N 1 0 320.393 1.499 20 5 DDBDRO C[C@H]1CCC[C@](CNC(=O)c2cc([N+](=O)[O-])nn2C)([NH+](C)C)C1 ZINC000356472463 306852426 /nfs/dbraw/zinc/85/24/26/306852426.db2.gz BDLKVOZTOPMHIK-NHYWBVRUSA-N 1 0 323.397 1.569 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CCc2ccncc2)c1 ZINC000516964914 302803470 /nfs/dbraw/zinc/80/34/70/302803470.db2.gz CJLBTOKNHOXKLL-HNNXBMFYSA-N 1 0 317.345 1.562 20 5 DDBDRO [NH3+]C[C@H]1CCCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000517098720 302806807 /nfs/dbraw/zinc/80/68/07/302806807.db2.gz HUUFRPLTDXMOOX-CYBMUJFWSA-N 1 0 306.366 1.518 20 5 DDBDRO C[C@H](C[NH+]1CCCCC1)Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000357321530 306876408 /nfs/dbraw/zinc/87/64/08/306876408.db2.gz YUKFEOQFIXUPIS-SNVBAGLBSA-N 1 0 307.354 1.375 20 5 DDBDRO C[NH+](C)CC1CCC(Nc2nccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000357478973 306888062 /nfs/dbraw/zinc/88/80/62/306888062.db2.gz NQLKPJBMSMFLNR-UHFFFAOYSA-N 1 0 321.381 1.621 20 5 DDBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](C)S(C)(=O)=O ZINC000537940346 303381482 /nfs/dbraw/zinc/38/14/82/303381482.db2.gz FTRDFASDVJBZJN-NEPJUHHUSA-N 1 0 314.407 1.939 20 5 DDBDRO [NH3+]C[C@@H]1CCCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000428622998 303402766 /nfs/dbraw/zinc/40/27/66/303402766.db2.gz RTGIXRLEZJWWKH-JTQLQIEISA-N 1 0 321.333 1.177 20 5 DDBDRO Cc1cc(C[NH+](C)C)cc(NC(=O)c2c[nH]nc2[N+](=O)[O-])c1 ZINC000549196818 303608172 /nfs/dbraw/zinc/60/81/72/303608172.db2.gz KZFSLCYEOQYMMP-UHFFFAOYSA-N 1 0 303.322 1.940 20 5 DDBDRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)[C@H]3C[C@@H]3[N+](=O)[O-])C2)CC1 ZINC000364485932 307046428 /nfs/dbraw/zinc/04/64/28/307046428.db2.gz SKMBJLXENRHXNE-KKUMJFAQSA-N 1 0 309.410 1.622 20 5 DDBDRO CC1(C)C[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCCO1 ZINC000364916415 307053965 /nfs/dbraw/zinc/05/39/65/307053965.db2.gz NCGDXZIVMGYNQN-CYBMUJFWSA-N 1 0 324.377 1.835 20 5 DDBDRO CCOc1ccc(C(=O)N[C@@H]2CC23CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000366573441 307076505 /nfs/dbraw/zinc/07/65/05/307076505.db2.gz SVSFFOSXILCYCN-CQSZACIVSA-N 1 0 319.361 1.865 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1CC2(C1)CCCOC2 ZINC000367489782 307095316 /nfs/dbraw/zinc/09/53/16/307095316.db2.gz LMVRDHWHKGOKTG-CYBMUJFWSA-N 1 0 322.361 1.447 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000372087694 307163079 /nfs/dbraw/zinc/16/30/79/307163079.db2.gz FRTWYFNOBLHIOW-YOGCLGLASA-N 1 0 317.345 1.656 20 5 DDBDRO CSC[C@@H](O)C[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000372294466 307167818 /nfs/dbraw/zinc/16/78/18/307167818.db2.gz JNMAYJPFDUZMTI-JQWIXIFHSA-N 1 0 300.384 1.152 20 5 DDBDRO O=C(Nc1ccncc1[N+](=O)[O-])N1CCC(c2c[nH]cn2)CC1 ZINC000373310102 307184278 /nfs/dbraw/zinc/18/42/78/307184278.db2.gz JPASZUPFUCVUKO-UHFFFAOYSA-N 1 0 316.321 1.546 20 5 DDBDRO [NH2+]=C(NO)[C@@H]1CCCCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000376079645 307237676 /nfs/dbraw/zinc/23/76/76/307237676.db2.gz GGYIKWWGQXMOBS-STQMWFEESA-N 1 0 308.338 1.439 20 5 DDBDRO C[N@@H+]1CCCC12CCN(C(=O)c1ccc(N)c([N+](=O)[O-])c1)CC2 ZINC000378510919 307290905 /nfs/dbraw/zinc/29/09/05/307290905.db2.gz JLIYIXYSOUMNIW-UHFFFAOYSA-N 1 0 318.377 1.877 20 5 DDBDRO Cc1noc(C)c1C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000552494824 307821996 /nfs/dbraw/zinc/82/19/96/307821996.db2.gz GPJBDZYLCUBVSE-ZDUSSCGKSA-N 1 0 321.333 1.729 20 5 DDBDRO Cn1ccc(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000562990898 307951800 /nfs/dbraw/zinc/95/18/00/307951800.db2.gz JKNFSUGZUKIWPL-ZDUSSCGKSA-N 1 0 305.334 1.463 20 5 DDBDRO Cc1c(CN2C(=O)NC3(CC[NH2+]CC3)C2=O)cccc1[N+](=O)[O-] ZINC000563080084 307953508 /nfs/dbraw/zinc/95/35/08/307953508.db2.gz INUZGHSGWQSVOI-UHFFFAOYSA-N 1 0 318.333 1.077 20 5 DDBDRO COc1ccc(CC(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000563102877 307956914 /nfs/dbraw/zinc/95/69/14/307956914.db2.gz GCXDXHPHPOADEK-YPMHNXCESA-N 1 0 321.377 1.732 20 5 DDBDRO CCC[C@H](C)[C@H](CO)[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000564090224 307991095 /nfs/dbraw/zinc/99/10/95/307991095.db2.gz MVTMJRUKAYPYOT-WFASDCNBSA-N 1 0 323.393 1.944 20 5 DDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C2CC(F)(F)C2)cc1 ZINC000566124258 308044756 /nfs/dbraw/zinc/04/47/56/308044756.db2.gz WDUJIEDLUFWGDV-UHFFFAOYSA-N 1 0 320.317 1.756 20 5 DDBDRO COc1cccc([N+](=O)[O-])c1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000567961711 308102981 /nfs/dbraw/zinc/10/29/81/308102981.db2.gz LHPQARKEHQEILE-CYBMUJFWSA-N 1 0 321.377 1.762 20 5 DDBDRO CC[C@H](Cn1cncn1)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000568143559 308108217 /nfs/dbraw/zinc/10/82/17/308108217.db2.gz YWNSYZLVABSFCK-GFCCVEGCSA-N 1 0 305.338 1.634 20 5 DDBDRO CN(C)C(=O)C(C)(C)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000568602392 308123566 /nfs/dbraw/zinc/12/35/66/308123566.db2.gz NZOZVXKVDZRQTM-UHFFFAOYSA-N 1 0 322.365 1.380 20 5 DDBDRO C[NH2+][C@@H](C)Cc1noc(-c2cc3c(cc2[N+](=O)[O-])OCO3)n1 ZINC000568629846 308125306 /nfs/dbraw/zinc/12/53/06/308125306.db2.gz LZWGBPDOXYGJMY-ZETCQYMHSA-N 1 0 306.278 1.524 20 5 DDBDRO O=C(CC[NH2+][C@H]1CC[C@@H](CO)C1)Nc1ccccc1[N+](=O)[O-] ZINC000568867426 308131790 /nfs/dbraw/zinc/13/17/90/308131790.db2.gz XDIBBYUEDIAUSK-NEPJUHHUSA-N 1 0 307.350 1.674 20 5 DDBDRO O=C(C[C@@H]1CCC[NH2+]1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000569102776 308133350 /nfs/dbraw/zinc/13/33/50/308133350.db2.gz OXIANWHMQUGZHT-NSHDSACASA-N 1 0 307.354 1.097 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC[C@@H](c3ccncc3)C2)c1 ZINC000570118843 308159545 /nfs/dbraw/zinc/15/95/45/308159545.db2.gz YWHNPMKLKOUCEF-HIFRSBDPSA-N 1 0 317.349 1.037 20 5 DDBDRO COc1cccc(C(=O)NC[C@H](C)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000571487503 308196347 /nfs/dbraw/zinc/19/63/47/308196347.db2.gz PNEWPAPUCPERFZ-NSHDSACASA-N 1 0 307.350 1.818 20 5 DDBDRO COc1ccc(CC(=O)N[C@@H](C)CCCC[NH3+])cc1[N+](=O)[O-] ZINC000571679569 308199914 /nfs/dbraw/zinc/19/99/14/308199914.db2.gz MUXMMSRNXKDDRD-NSHDSACASA-N 1 0 309.366 1.780 20 5 DDBDRO CCCc1n[nH]c(C(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)c1[N+](=O)[O-] ZINC000573968119 308257348 /nfs/dbraw/zinc/25/73/48/308257348.db2.gz GMLBVFAIRYRGCM-HNNXBMFYSA-N 1 0 321.381 1.486 20 5 DDBDRO CC(C)(C)[N@@H+]1CCCN(c2nccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000574128206 308261890 /nfs/dbraw/zinc/26/18/90/308261890.db2.gz NLUKLTPAPUWNDR-UHFFFAOYSA-N 1 0 321.381 1.399 20 5 DDBDRO C/C=C\C[C@H](CO)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000574323664 308268254 /nfs/dbraw/zinc/26/82/54/308268254.db2.gz FFXIRWKZYGTEJI-ZZKXABKFSA-N 1 0 307.350 1.840 20 5 DDBDRO CC(C)(CO)CC[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000576107989 308289128 /nfs/dbraw/zinc/28/91/28/308289128.db2.gz HBTDFJQBTNWMQD-CYBMUJFWSA-N 1 0 312.366 1.333 20 5 DDBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000583013901 337229103 /nfs/dbraw/zinc/22/91/03/337229103.db2.gz WTRNBQJYJPUPKU-HNNXBMFYSA-N 1 0 304.350 1.490 20 5 DDBDRO COCC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@H]1CCC[C@H]1C ZINC000487986705 484212841 /nfs/dbraw/zinc/21/28/41/484212841.db2.gz JZFOEXLZWYEGIN-HIFRSBDPSA-N 1 0 323.393 1.894 20 5 DDBDRO COCC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@H]1CCC[C@@H]1C ZINC000487986707 484212990 /nfs/dbraw/zinc/21/29/90/484212990.db2.gz JZFOEXLZWYEGIN-ZFWWWQNUSA-N 1 0 323.393 1.894 20 5 DDBDRO C[C@@H]1[C@H](CO)CC[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000488727964 484215510 /nfs/dbraw/zinc/21/55/10/484215510.db2.gz WZZVIZLGSRHLMJ-YPMHNXCESA-N 1 0 319.361 1.187 20 5 DDBDRO CC1(C)C[NH2+]CC[C@@H]1NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000420356843 490244253 /nfs/dbraw/zinc/24/42/53/490244253.db2.gz GUEBOKYFBGPJAE-ZDUSSCGKSA-N 1 0 306.366 1.171 20 5 DDBDRO O=[N+]([O-])c1ccc(NCC[NH+]2CCSCC2)c2nonc21 ZINC000226230675 490701328 /nfs/dbraw/zinc/70/13/28/490701328.db2.gz OXRVTKIGVLKGEX-UHFFFAOYSA-N 1 0 309.351 1.592 20 5 DDBDRO O=C(NCC[NH2+]C1CC1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000238109630 490703270 /nfs/dbraw/zinc/70/32/70/490703270.db2.gz OIPYNBIMYQMBGK-UHFFFAOYSA-N 1 0 315.333 1.262 20 5 DDBDRO Cc1c(C(=O)NC[C@@H](C)[NH+](C)C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000299479209 533787765 /nfs/dbraw/zinc/78/77/65/533787765.db2.gz DWWCQAVWYNBCQB-MRVPVSSYSA-N 1 0 324.337 1.800 20 5 DDBDRO Cc1c(CC(=O)NC[C@@]2(C)CCC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000423516883 533832844 /nfs/dbraw/zinc/83/28/44/533832844.db2.gz HEVNLRXOKXVTIK-INIZCTEOSA-N 1 0 305.378 1.952 20 5 DDBDRO C[C@@H]1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000424021126 533947990 /nfs/dbraw/zinc/94/79/90/533947990.db2.gz TUDUUVHEUPVHGU-VXGBXAGGSA-N 1 0 306.366 1.450 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC000451637233 534338637 /nfs/dbraw/zinc/33/86/37/534338637.db2.gz XEMRYOZYPMUDKE-DOMZBBRYSA-N 1 0 318.377 1.478 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCCCN1CC[NH2+]CC1 ZINC000414662312 534341481 /nfs/dbraw/zinc/34/14/81/534341481.db2.gz QZBIBQLHSYGZTB-UHFFFAOYSA-N 1 0 321.381 1.320 20 5 DDBDRO O=C(CC[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1)NC1CCCC1 ZINC000331694822 534417513 /nfs/dbraw/zinc/41/75/13/534417513.db2.gz VZOLBIBKUOPVSP-UHFFFAOYSA-N 1 0 318.377 1.797 20 5 DDBDRO O=C(NCC[C@H]1CCC[NH2+]1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000444268521 534427494 /nfs/dbraw/zinc/42/74/94/534427494.db2.gz RKELPCDSHPLVPW-SECBINFHSA-N 1 0 303.322 1.343 20 5 DDBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000417222650 534462454 /nfs/dbraw/zinc/46/24/54/534462454.db2.gz FPCPGLYWSIUBSN-HIFRSBDPSA-N 1 0 318.377 1.531 20 5 DDBDRO [NH3+]C1CCC(OCC(=O)NCc2ccccc2[N+](=O)[O-])CC1 ZINC000449091776 534562174 /nfs/dbraw/zinc/56/21/74/534562174.db2.gz KQGPEGZWGXXNOH-UHFFFAOYSA-N 1 0 307.350 1.498 20 5 DDBDRO C[C@@H]1C[NH2+][C@@H](C)CN1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000156242796 525107763 /nfs/dbraw/zinc/10/77/63/525107763.db2.gz UTACTQSMJFGGTM-WDEREUQCSA-N 1 0 313.379 1.107 20 5 DDBDRO CC(C)(C[C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1)C(N)=O ZINC000295687089 527226970 /nfs/dbraw/zinc/22/69/70/527226970.db2.gz SHXVCKGNDHYREL-LBPRGKRZSA-N 1 0 323.397 1.405 20 5 DDBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])cnc2N)[C@@H](C)C1 ZINC000330832853 527827477 /nfs/dbraw/zinc/82/74/77/527827477.db2.gz VKJCIBVOVSVOEE-GWCFXTLKSA-N 1 0 321.381 1.374 20 5 DDBDRO CCO[C@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H]1C ZINC000451546094 528062287 /nfs/dbraw/zinc/06/22/87/528062287.db2.gz RUWREUVSSJMUOK-NHYWBVRUSA-N 1 0 321.377 1.941 20 5 DDBDRO CCNC(=O)N1CC[C@@H]([NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000294800486 528144696 /nfs/dbraw/zinc/14/46/96/528144696.db2.gz OYRVUESBQJRPDY-ZYHUDNBSSA-N 1 0 321.381 1.631 20 5 DDBDRO CC(C)[C@@H](C(=O)NCCNc1ccc([N+](=O)[O-])cc1)[C@@H](C)[NH3+] ZINC000422931659 528361601 /nfs/dbraw/zinc/36/16/01/528361601.db2.gz CHGWEIZDJIZCJU-BXUZGUMPSA-N 1 0 308.382 1.742 20 5 DDBDRO CC[C@@H](C)[NH+]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000295896613 529355025 /nfs/dbraw/zinc/35/50/25/529355025.db2.gz CVPFDEXMNBMDAD-CYBMUJFWSA-N 1 0 308.382 1.173 20 5 DDBDRO C[C@H](CNc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1)[N@H+](C)C1CC1 ZINC000736025457 598522895 /nfs/dbraw/zinc/52/28/95/598522895.db2.gz GXOQJEUSYRABMZ-SECBINFHSA-N 1 0 317.353 1.670 20 5 DDBDRO Nc1ccc(C(=O)NCC2([NH3+])CCCCCC2)cc1[N+](=O)[O-] ZINC000746280709 700015673 /nfs/dbraw/zinc/01/56/73/700015673.db2.gz WGTOULHQYXQKTC-UHFFFAOYSA-N 1 0 306.366 1.959 20 5 DDBDRO CCN([C@@H]1CC[NH2+]C1)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000071312722 696391530 /nfs/dbraw/zinc/39/15/30/696391530.db2.gz FCTMOLITYVULGZ-CYBMUJFWSA-N 1 0 313.379 1.108 20 5 DDBDRO Cc1cc(C(=O)NC[C@@H]2CCC[N@@H+](C)C2)c(N)c([N+](=O)[O-])c1 ZINC000108461806 696634062 /nfs/dbraw/zinc/63/40/62/696634062.db2.gz RPAABVKNVLBBKM-NSHDSACASA-N 1 0 306.366 1.557 20 5 DDBDRO O=[N+]([O-])c1cnn(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000157987746 696984940 /nfs/dbraw/zinc/98/49/40/696984940.db2.gz OVAIUKVHOSXOKK-IUODEOHRSA-N 1 0 305.382 1.698 20 5 DDBDRO C[C@@H]1[C@@H](C)CCN1CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000174954998 697393515 /nfs/dbraw/zinc/39/35/15/697393515.db2.gz RGKDORGRNOENIH-VHSXEESVSA-N 1 0 303.318 1.879 20 5 DDBDRO Cc1cc(C(=O)NCC[N@H+]2CC[C@H](C)C2)c(N)c([N+](=O)[O-])c1 ZINC000749413523 700163116 /nfs/dbraw/zinc/16/31/16/700163116.db2.gz MIANDDXFRXGKTM-JTQLQIEISA-N 1 0 306.366 1.557 20 5 DDBDRO Cc1c(CC(=O)NOC2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000773545170 697776545 /nfs/dbraw/zinc/77/65/45/697776545.db2.gz FVXSJWOMXZTSPK-UHFFFAOYSA-N 1 0 307.350 1.588 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCC[C@H](OCCO)C2)cc1 ZINC000776585044 698122116 /nfs/dbraw/zinc/12/21/16/698122116.db2.gz RQPJJGMQMHEHPO-GJZGRUSLSA-N 1 0 310.350 1.102 20 5 DDBDRO C[N@@H+]1CCC[C@H](NC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C1 ZINC000778260573 698254752 /nfs/dbraw/zinc/25/47/52/698254752.db2.gz BKJBHQJUPKBTCL-VIFPVBQESA-N 1 0 321.362 1.424 20 5 DDBDRO O=[N+]([O-])c1ccnn1CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246411953 698349274 /nfs/dbraw/zinc/34/92/74/698349274.db2.gz QSWSDVLYGBYIRR-GXTWGEPZSA-N 1 0 305.382 1.698 20 5 DDBDRO Cc1nn(CN2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c(C)c1[N+](=O)[O-] ZINC000247045956 698360197 /nfs/dbraw/zinc/36/01/97/698360197.db2.gz MZAGRNWYCZOTBP-KBPBESRZSA-N 1 0 307.398 1.782 20 5 DDBDRO CCOC(=O)CC1CCN(Cn2cc([N+](=O)[O-])c(C)n2)CC1 ZINC000779859953 698476438 /nfs/dbraw/zinc/47/64/38/698476438.db2.gz PZXYLSVXVGHFRK-UHFFFAOYSA-N 1 0 310.354 1.722 20 5 DDBDRO Cn1ccnc1[C@H](N[C@@H]1CC[N@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000780764751 698558301 /nfs/dbraw/zinc/55/83/01/698558301.db2.gz PVXHBMAJFBIZAR-UKRRQHHQSA-N 1 0 315.377 1.711 20 5 DDBDRO C[NH+](C)C1(C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)CCC1 ZINC000787509788 699215550 /nfs/dbraw/zinc/21/55/50/699215550.db2.gz UOULWMJQAPTULT-UHFFFAOYSA-N 1 0 319.361 1.669 20 5 DDBDRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000731455909 699529175 /nfs/dbraw/zinc/52/91/75/699529175.db2.gz XGRXQMVBAAUZTA-GXTWGEPZSA-N 1 0 323.324 1.327 20 5 DDBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H](CCO)C2CC2)c2c(c1)COCO2 ZINC000741258979 699825672 /nfs/dbraw/zinc/82/56/72/699825672.db2.gz UDWBNAFZXWOTAZ-AWEZNQCLSA-N 1 0 308.334 1.712 20 5 DDBDRO CS[C@H]1CN(c2nc3ccccn3c2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000759277645 700744705 /nfs/dbraw/zinc/74/47/05/700744705.db2.gz HLVMYFWOYRETPI-MNOVXSKESA-N 1 0 321.406 1.724 20 5 DDBDRO C[C@H]1C[C@H](NC(=O)Cc2cccc(F)c2[N+](=O)[O-])CC[N@@H+]1C ZINC000866073870 706611282 /nfs/dbraw/zinc/61/12/82/706611282.db2.gz UVXIRYYAJSZOAI-CMPLNLGQSA-N 1 0 309.341 1.875 20 5 DDBDRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[NH+](C)C ZINC000839761216 701814793 /nfs/dbraw/zinc/81/47/93/701814793.db2.gz LYPMYJQNMIXRSA-NGFQHRJXSA-N 1 0 305.378 1.768 20 5 DDBDRO COc1cc(C(=O)N[C@H](C)C2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000868004161 701886013 /nfs/dbraw/zinc/88/60/13/701886013.db2.gz UPEOCHCHWNSDTK-SNVBAGLBSA-N 1 0 307.350 1.721 20 5 DDBDRO Cc1c(CC(=O)N2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000812344177 702166874 /nfs/dbraw/zinc/16/68/74/702166874.db2.gz PVHAUXYQTVKAOE-CABCVRRESA-N 1 0 317.389 1.856 20 5 DDBDRO CNC(=O)c1ccc(N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)c([N+](=O)[O-])c1 ZINC000866205424 706647850 /nfs/dbraw/zinc/64/78/50/706647850.db2.gz LULDMJKBSFQFIX-CHWSQXEVSA-N 1 0 318.377 1.485 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)n1 ZINC000866209055 706649241 /nfs/dbraw/zinc/64/92/41/706649241.db2.gz PBMVOPDXBBHGPZ-JQWIXIFHSA-N 1 0 320.349 1.307 20 5 DDBDRO Cc1cc(F)cc(C(=O)N2CC[C@@H]3C[N@@H+](C)C[C@@H]32)c1[N+](=O)[O-] ZINC000816953612 702237965 /nfs/dbraw/zinc/23/79/65/702237965.db2.gz KJWUOKUPMYUVMQ-MFKMUULPSA-N 1 0 307.325 1.818 20 5 DDBDRO CC[NH+](CC)CC(C)(C)COC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000813151126 702305295 /nfs/dbraw/zinc/30/52/95/702305295.db2.gz XDJKUSXRJRLQIM-UHFFFAOYSA-N 1 0 313.358 1.098 20 5 DDBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@H]1CCc2nnnn2CC1 ZINC000817418767 702376175 /nfs/dbraw/zinc/37/61/75/702376175.db2.gz FQLVEZWKKJBILG-NSHDSACASA-N 1 0 322.756 1.729 20 5 DDBDRO CNc1ccc([N+](=O)[O-])cc1NC(=O)/C=C/CN1CCOCC1 ZINC000869066068 702444408 /nfs/dbraw/zinc/44/44/08/702444408.db2.gz FNIZIOACODLSBN-NSCUHMNNSA-N 1 0 320.349 1.463 20 5 DDBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H](C)S(C)(=O)=O ZINC000866311140 706671021 /nfs/dbraw/zinc/67/10/21/706671021.db2.gz QWRCFRPGHZJDRE-UWVGGRQHSA-N 1 0 318.370 1.688 20 5 DDBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@]1(O)CCO[C@@H]1C ZINC000866353699 706679745 /nfs/dbraw/zinc/67/97/45/706679745.db2.gz ZRJTYPBEXPZLAN-UEKVPHQBSA-N 1 0 312.341 1.794 20 5 DDBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000818015616 702554481 /nfs/dbraw/zinc/55/44/81/702554481.db2.gz WHPAWWUQLOAMDP-RRGWEWPQSA-N 1 0 301.346 1.963 20 5 DDBDRO CC1(C)CN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC[NH2+]1 ZINC000842313122 702701809 /nfs/dbraw/zinc/70/18/09/702701809.db2.gz PREUIODPSLKFBT-UHFFFAOYSA-N 1 0 304.350 1.668 20 5 DDBDRO CC(C)[N@@H+]1CCC[C@H](COC(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000842832239 702781414 /nfs/dbraw/zinc/78/14/14/702781414.db2.gz BLMGPPDXEBVNHH-LBPRGKRZSA-N 1 0 310.354 1.455 20 5 DDBDRO CC[C@@H]([NH3+])CNS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000842886031 702787228 /nfs/dbraw/zinc/78/72/28/702787228.db2.gz FFILELDLBLPWKC-MRVPVSSYSA-N 1 0 321.786 1.572 20 5 DDBDRO C[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H](O)C(F)(F)F ZINC000843060016 702810376 /nfs/dbraw/zinc/81/03/76/702810376.db2.gz QSJZRVXVQATLRC-BKDNQFJXSA-N 1 0 308.256 1.530 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H]2c3ccccc3C[C@H]2O)cc1 ZINC000843063818 702811477 /nfs/dbraw/zinc/81/14/77/702811477.db2.gz AWROHLCULGRCMP-ZACQAIPSSA-N 1 0 314.341 1.876 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H]2CCCN(CCCO)C2)c1 ZINC000843097375 702818906 /nfs/dbraw/zinc/81/89/06/702818906.db2.gz YDBAQLYJCJKEAB-ZBFHGGJFSA-N 1 0 323.393 1.065 20 5 DDBDRO COc1cc(Cc2noc([C@@]3(C)CC[NH2+]C3)n2)ccc1[N+](=O)[O-] ZINC000843192453 702838380 /nfs/dbraw/zinc/83/83/80/702838380.db2.gz VPASMZVIHUAEMP-HNNXBMFYSA-N 1 0 318.333 1.828 20 5 DDBDRO C[NH2+]C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)C1 ZINC000843339553 702862560 /nfs/dbraw/zinc/86/25/60/702862560.db2.gz UABMUHGCJRMOSA-SNVBAGLBSA-N 1 0 322.321 1.493 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N(C)CC(C)(C)C[NH3+])cc1[N+](=O)[O-] ZINC000843355777 702865394 /nfs/dbraw/zinc/86/53/94/702865394.db2.gz JCLCVUQDCHEBHM-UHFFFAOYSA-N 1 0 324.337 1.868 20 5 DDBDRO O=C(CO[C@H]1CCC[NH2+]C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000843372094 702868684 /nfs/dbraw/zinc/86/86/84/702868684.db2.gz KJZICHOQPWCADO-ZDUSSCGKSA-N 1 0 305.334 1.253 20 5 DDBDRO O=C(CN1C[C@H]2C[NH2+]C[C@H]2C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000843377804 702869999 /nfs/dbraw/zinc/86/99/99/702869999.db2.gz NCHBGQWJMJVWQS-AOOOYVTPSA-N 1 0 324.768 1.338 20 5 DDBDRO Cc1cc(C(=O)N2CC[C@]3(C2)CCC[NH2+]C3)c(N)c([N+](=O)[O-])c1 ZINC000843472982 702888750 /nfs/dbraw/zinc/88/87/50/702888750.db2.gz DRXZOHPLZJWHPM-MRXNPFEDSA-N 1 0 318.377 1.701 20 5 DDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000843474947 702889104 /nfs/dbraw/zinc/88/91/04/702889104.db2.gz YDTVFOZSUCKDIP-OAHLLOKOSA-N 1 0 304.350 1.393 20 5 DDBDRO O=C(N(Cc1cccc([N+](=O)[O-])c1)C1CC1)[C@]1(F)CC[NH2+]C1 ZINC000844203118 702991255 /nfs/dbraw/zinc/99/12/55/702991255.db2.gz AXPNGDUKQLDEIH-HNNXBMFYSA-N 1 0 307.325 1.787 20 5 DDBDRO C[C@@H]([NH2+]C[C@@]12COC(=O)N1CCOC2)c1cccc([N+](=O)[O-])c1 ZINC000866519950 706719797 /nfs/dbraw/zinc/71/97/97/706719797.db2.gz YPZLHTPHLPASKD-IAQYHMDHSA-N 1 0 321.333 1.467 20 5 DDBDRO CC1(C)C[C@@H](O)C[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000879614943 706738841 /nfs/dbraw/zinc/73/88/41/706738841.db2.gz CKUFJPJTQLUXPA-ZIAGYGMSSA-N 1 0 324.377 1.427 20 5 DDBDRO Cn1cc([C@@H](O)C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])cn1 ZINC000848527954 703561455 /nfs/dbraw/zinc/56/14/55/703561455.db2.gz AUEMPUAATBJHMB-ZFWWWQNUSA-N 1 0 302.334 1.639 20 5 DDBDRO COC[C@@H](C)NC(=[NH2+])NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000849016412 703611021 /nfs/dbraw/zinc/61/10/21/703611021.db2.gz ZOBJNYQUJGFZOI-SECBINFHSA-N 1 0 314.773 1.940 20 5 DDBDRO O=C1CC[C@@H](C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)N1 ZINC000850546997 703735860 /nfs/dbraw/zinc/73/58/60/703735860.db2.gz QINMYZKIZXADAA-ZDUSSCGKSA-N 1 0 318.377 1.432 20 5 DDBDRO CCO[C@@H](CNC(=O)c1c(C)cccc1[N+](=O)[O-])C[NH+](C)C ZINC000831722940 706762808 /nfs/dbraw/zinc/76/28/08/706762808.db2.gz BXDJPRHTXWFWQO-LBPRGKRZSA-N 1 0 309.366 1.600 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])cn(CCCCCCC[NH3+])c1=O ZINC000818618176 703943781 /nfs/dbraw/zinc/94/37/81/703943781.db2.gz OBYQSPJFAOCNFK-UHFFFAOYSA-N 1 0 311.338 1.452 20 5 DDBDRO CC[C@@H](C)NC(=O)CC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818965890 704036737 /nfs/dbraw/zinc/03/67/37/704036737.db2.gz XDTVSWDCVOMRRS-BXUZGUMPSA-N 1 0 309.366 1.523 20 5 DDBDRO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(F)c2)C[C@H](C)[N@H+]1CCO ZINC000831805358 706784155 /nfs/dbraw/zinc/78/41/55/706784155.db2.gz VFQIZBQVCLSECG-TXEJJXNPSA-N 1 0 311.357 1.621 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCC[C@@](O)(C3CC3)C2)cc1 ZINC000852500765 704064037 /nfs/dbraw/zinc/06/40/37/704064037.db2.gz DKDYKZIVGDFEFH-HOTGVXAUSA-N 1 0 306.362 1.865 20 5 DDBDRO CC[C@H](C[NH+](C)C)OC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000870555173 704075636 /nfs/dbraw/zinc/07/56/36/704075636.db2.gz RUHSQAWYFLOYIB-SECBINFHSA-N 1 0 310.306 1.821 20 5 DDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2C[C@@H](O)C23CCC3)c([N+](=O)[O-])c1 ZINC000852583053 704081713 /nfs/dbraw/zinc/08/17/13/704081713.db2.gz PYQRMVNTVZJWOI-QWHCGFSZSA-N 1 0 307.306 1.896 20 5 DDBDRO CC(C)C(=O)NCCC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819189194 704083610 /nfs/dbraw/zinc/08/36/10/704083610.db2.gz QHDRQOVRSHJHAY-CQSZACIVSA-N 1 0 309.366 1.380 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H]2CCO[C@@]3(CCOC3)C2)c1 ZINC000819203720 704086135 /nfs/dbraw/zinc/08/61/35/704086135.db2.gz LKRUUSTWXFBFRB-IMJJTQAJSA-N 1 0 322.361 1.556 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2CCn3ccnc3C2)c1 ZINC000819244908 704094131 /nfs/dbraw/zinc/09/41/31/704094131.db2.gz PNMPPRZEINLNDW-TZMCWYRMSA-N 1 0 302.334 1.429 20 5 DDBDRO CON(C)C(=O)CC[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000819316590 704105967 /nfs/dbraw/zinc/10/59/67/704105967.db2.gz INNGIGFHQITSIM-UHFFFAOYSA-N 1 0 320.349 1.618 20 5 DDBDRO CN(CC[N@H+](C)C1CC1)C(=O)[C@](C)(N)c1cccc([N+](=O)[O-])c1 ZINC000870928108 704172278 /nfs/dbraw/zinc/17/22/78/704172278.db2.gz DXGVAHGXBNLCKV-MRXNPFEDSA-N 1 0 320.393 1.321 20 5 DDBDRO C[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)CCC1(C)C ZINC000871155840 704232990 /nfs/dbraw/zinc/23/29/90/704232990.db2.gz FBVKVOWZHHORTM-UHFFFAOYSA-N 1 0 306.366 1.733 20 5 DDBDRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000820272087 704250368 /nfs/dbraw/zinc/25/03/68/704250368.db2.gz JGIOFBOYOXQOLY-XZDPQHSOSA-N 1 0 315.373 1.861 20 5 DDBDRO CC1(C)CC[NH2+]CCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000866802900 706806656 /nfs/dbraw/zinc/80/66/56/706806656.db2.gz MQHAGXWVOUYMTK-UHFFFAOYSA-N 1 0 313.379 1.357 20 5 DDBDRO CC(=O)N1C[C@@H]2C[N@@H+](CCc3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC000821329052 704391823 /nfs/dbraw/zinc/39/18/23/704391823.db2.gz UORKZCKIBIBKOJ-GASCZTMLSA-N 1 0 303.362 1.547 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CC[C@H]2CC2(Cl)Cl)c1 ZINC000857239729 704568711 /nfs/dbraw/zinc/56/87/11/704568711.db2.gz VMSAKZUMDQZTBK-WCBMZHEXSA-N 1 0 323.180 1.326 20 5 DDBDRO [NH3+][C@@H]1CCN(C(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000857762881 704621732 /nfs/dbraw/zinc/62/17/32/704621732.db2.gz HAJFABBCMUSSSA-MRVPVSSYSA-N 1 0 301.249 1.126 20 5 DDBDRO C[C@H]1C[NH2+]CCN1C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857764332 704621838 /nfs/dbraw/zinc/62/18/38/704621838.db2.gz PCXQDJIGVGWEAR-VIFPVBQESA-N 1 0 315.276 1.387 20 5 DDBDRO COCC1(c2nc(-c3ccc([N+](=O)[O-])s3)no2)CC[NH2+]CC1 ZINC000823070054 705130361 /nfs/dbraw/zinc/13/03/61/705130361.db2.gz XPMOKPBCAPHLSO-UHFFFAOYSA-N 1 0 324.362 1.974 20 5 DDBDRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000874837367 705194217 /nfs/dbraw/zinc/19/42/17/705194217.db2.gz IGUMGLORBWHUKB-STQMWFEESA-N 1 0 321.381 1.222 20 5 DDBDRO CNc1ccc(C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3C)cc1[N+](=O)[O-] ZINC000874848396 705202404 /nfs/dbraw/zinc/20/24/04/705202404.db2.gz SGBVGBZXBBYDNV-UONOGXRCSA-N 1 0 318.377 1.945 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCC[NH+]1CCC(O)CC1 ZINC000823410690 705234861 /nfs/dbraw/zinc/23/48/61/705234861.db2.gz YMTOMEAMMNGDJG-UHFFFAOYSA-N 1 0 321.377 1.398 20 5 DDBDRO CN(CCCC[NH+](C)C)C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823962774 705345880 /nfs/dbraw/zinc/34/58/80/705345880.db2.gz WUJNGFOJEWAWOY-UHFFFAOYSA-N 1 0 309.370 1.983 20 5 DDBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000823985929 705349737 /nfs/dbraw/zinc/34/97/37/705349737.db2.gz FGIWWIRHWPWGDE-LLVKDONJSA-N 1 0 321.381 1.983 20 5 DDBDRO O=C(Cn1cc([N+](=O)[O-])cn1)OCC12CCC[NH+](CCC1)C2 ZINC000861357135 705444834 /nfs/dbraw/zinc/44/48/34/705444834.db2.gz IBXPEGJCXWPTDD-UHFFFAOYSA-N 1 0 308.338 1.211 20 5 DDBDRO Cc1cc(F)cc(C(=O)NC[C@@H]2C[NH2+]CCCO2)c1[N+](=O)[O-] ZINC000825187707 705619926 /nfs/dbraw/zinc/61/99/26/705619926.db2.gz CDTZOZIEYHXEKD-NSHDSACASA-N 1 0 311.313 1.151 20 5 DDBDRO Cc1cc(C(=O)NCC(=O)OCCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000825265336 705635911 /nfs/dbraw/zinc/63/59/11/705635911.db2.gz NISZSVUMVKRZSR-UHFFFAOYSA-N 1 0 323.349 1.128 20 5 DDBDRO C[C@@H](CNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC000825358920 705654251 /nfs/dbraw/zinc/65/42/51/705654251.db2.gz FTTNZKJMKZVTRA-SWLSCSKDSA-N 1 0 321.377 1.476 20 5 DDBDRO CN(CC[NH+]1CCCC1)C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825694366 705716483 /nfs/dbraw/zinc/71/64/83/705716483.db2.gz XDOPCMURMSVGLE-AWEZNQCLSA-N 1 0 307.350 1.182 20 5 DDBDRO CN(CC1CC[NH+](C)CC1)C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825703063 705717969 /nfs/dbraw/zinc/71/79/69/705717969.db2.gz IFAGMGICISSABE-HNNXBMFYSA-N 1 0 321.377 1.428 20 5 DDBDRO C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000825915483 705745688 /nfs/dbraw/zinc/74/56/88/705745688.db2.gz QXQLBSPQLYJWMG-FZMZJTMJSA-N 1 0 307.350 1.038 20 5 DDBDRO Cc1cc(C)n(CCC[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)n1 ZINC000876882054 705906225 /nfs/dbraw/zinc/90/62/25/705906225.db2.gz YGMBMLYBHWVEOX-UHFFFAOYSA-N 1 0 318.381 1.988 20 5 DDBDRO O=C1[C@@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CCN1C1CCC1 ZINC000863591312 705965866 /nfs/dbraw/zinc/96/58/66/705965866.db2.gz XGAAXGWXRANLPV-GJZGRUSLSA-N 1 0 319.361 1.371 20 5 DDBDRO C[C@@H](NC(=O)CNc1ccccc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000877253249 706036605 /nfs/dbraw/zinc/03/66/05/706036605.db2.gz PTHUBRTUXZWTMG-LLVKDONJSA-N 1 0 306.366 1.511 20 5 DDBDRO CNc1ccc(C(=O)N[C@]23CCC[C@H]2[NH2+]CC3)cc1[N+](=O)[O-] ZINC000877398023 706095528 /nfs/dbraw/zinc/09/55/28/706095528.db2.gz LLQWQTAMFWKAII-HIFRSBDPSA-N 1 0 304.350 1.651 20 5 DDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@H](CO)c3ccsc3)C2)c1 ZINC000877399935 706096234 /nfs/dbraw/zinc/09/62/34/706096234.db2.gz PUABOTDDNBMJGQ-GCZXYKMCSA-N 1 0 308.363 1.880 20 5 DDBDRO COC(=O)[C@@]1(OC)CC[N@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000877652129 706170629 /nfs/dbraw/zinc/17/06/29/706170629.db2.gz BFVNYHDZINXWDY-MRXNPFEDSA-N 1 0 322.361 1.976 20 5 DDBDRO CC[NH+]1CCN([C@H](C)CNc2ccnc(F)c2[N+](=O)[O-])CC1 ZINC000881808196 707373736 /nfs/dbraw/zinc/37/37/36/707373736.db2.gz PAKHNEQKSRWDPI-LLVKDONJSA-N 1 0 311.361 1.567 20 5 DDBDRO C[NH+](C)CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000877950678 706249495 /nfs/dbraw/zinc/24/94/95/706249495.db2.gz DDZHPAUGHUGJMO-UHFFFAOYSA-N 1 0 309.322 1.048 20 5 DDBDRO C[N@@H+]1CCC[C@H](CNC(=O)Cc2cccc(F)c2[N+](=O)[O-])C1 ZINC000865608592 706476456 /nfs/dbraw/zinc/47/64/56/706476456.db2.gz LLRKTLWETGJQLA-LLVKDONJSA-N 1 0 309.341 1.734 20 5 DDBDRO Cc1ccc(C[NH2+]Cc2cnc(N(C)C)n2C)cc1[N+](=O)[O-] ZINC000865787748 706526680 /nfs/dbraw/zinc/52/66/80/706526680.db2.gz SQJKHAIEWQWVSG-UHFFFAOYSA-N 1 0 303.366 1.993 20 5 DDBDRO COCCN(CC1CC[NH+](C)CC1)c1ncc([N+](=O)[O-])s1 ZINC000865996847 706588759 /nfs/dbraw/zinc/58/87/59/706588759.db2.gz UCXGGFXKJIEGNF-UHFFFAOYSA-N 1 0 314.411 1.846 20 5 DDBDRO COCc1cc([N+](=O)[O-])ccc1N[C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000865998869 706589789 /nfs/dbraw/zinc/58/97/89/706589789.db2.gz UJFFMCYVQUFREG-ZDUSSCGKSA-N 1 0 323.393 1.998 20 5 DDBDRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000880134028 706886260 /nfs/dbraw/zinc/88/62/60/706886260.db2.gz LIXPZBIFJYGJHD-KBPBESRZSA-N 1 0 318.377 1.362 20 5 DDBDRO Cc1noc(CN2CCC[C@H]([NH2+]C3CCOCC3)C2)c1[N+](=O)[O-] ZINC000880202042 706908952 /nfs/dbraw/zinc/90/89/52/706908952.db2.gz WOEQTDAFPWCEIP-ZDUSSCGKSA-N 1 0 324.381 1.624 20 5 DDBDRO O=C1[C@H]([N@@H+]2CC[C@H](CF)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000880296667 706932028 /nfs/dbraw/zinc/93/20/28/706932028.db2.gz FSVYVZSPYRBSOS-BXUZGUMPSA-N 1 0 307.325 1.992 20 5 DDBDRO CCN1CC[C@H]1C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000883360983 707984287 /nfs/dbraw/zinc/98/42/87/707984287.db2.gz QGWFEDDNPGTOBR-LBPRGKRZSA-N 1 0 307.350 1.550 20 5 DDBDRO COC(=O)CC1([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CCC1 ZINC000838918113 708003141 /nfs/dbraw/zinc/00/31/41/708003141.db2.gz ADLNNEPQJWCKNC-ZDUSSCGKSA-N 1 0 308.334 1.704 20 5 DDBDRO CC(C)(C[NH2+]CCc1ccc([N+](=O)[O-])cc1)CS(C)(=O)=O ZINC000896869031 708168388 /nfs/dbraw/zinc/16/83/88/708168388.db2.gz SAHICCZYHNNVKS-UHFFFAOYSA-N 1 0 314.407 1.798 20 5 DDBDRO Cn1cc(COC(=O)CC[C@@H]2CCCC[N@@H+]2C)c([N+](=O)[O-])n1 ZINC000884504575 708318066 /nfs/dbraw/zinc/31/80/66/708318066.db2.gz LYAZYUVNFSVZON-LBPRGKRZSA-N 1 0 310.354 1.636 20 5 DDBDRO COc1cc(C[NH2+][C@@H]2CC23CC(O)C3)c([N+](=O)[O-])cc1OC ZINC000897851171 708469595 /nfs/dbraw/zinc/46/95/95/708469595.db2.gz RAEPVZMKNBWOSL-CIQACWJJSA-N 1 0 308.334 1.615 20 5 DDBDRO COCC(C)(C)[NH+]1CCN(Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886251990 708726520 /nfs/dbraw/zinc/72/65/20/708726520.db2.gz QAGWHRMIGKYPIR-UHFFFAOYSA-N 1 0 308.382 1.532 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CC[C@@]3(CO)CCC[C@@H]23)cc1 ZINC000886631260 708799033 /nfs/dbraw/zinc/79/90/33/708799033.db2.gz IITUCMKALCKUFG-ARFHVFGLSA-N 1 0 306.362 1.865 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@H]([NH+](C)C)C23CCC3)n1 ZINC000898833555 708883398 /nfs/dbraw/zinc/88/33/98/708883398.db2.gz VIECBHKWIXLROF-NEPJUHHUSA-N 1 0 321.381 1.414 20 5 DDBDRO CNC(=O)C1([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)CCOCC1 ZINC000887091686 708953010 /nfs/dbraw/zinc/95/30/10/708953010.db2.gz SNYDSFDHMKSNBC-UHFFFAOYSA-N 1 0 307.350 1.288 20 5 DDBDRO CC[N@@H+]1CCCN(C(=O)COc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000910288547 709868872 /nfs/dbraw/zinc/86/88/72/709868872.db2.gz WUEOVJAKWNMZIH-ZDUSSCGKSA-N 1 0 321.377 1.916 20 5 DDBDRO COc1c(O)ccc(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c1[N+](=O)[O-] ZINC000892103319 710372847 /nfs/dbraw/zinc/37/28/47/710372847.db2.gz YDQJKWAINHYBQU-OLZOCXBDSA-N 1 0 321.377 1.978 20 5 DDBDRO C[NH+]1C[C@@]2(C)CN(C(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)C[C@]2(C)C1 ZINC000913281468 713190605 /nfs/dbraw/zinc/19/06/05/713190605.db2.gz QQLLHTBEJQXZAF-GJZGRUSLSA-N 1 0 320.349 1.109 20 5 DDBDRO C[C@@H]1C[N@H+](CCCOC(=O)c2ccc([N+](=O)[O-])n2C)CCO1 ZINC000893392419 710633818 /nfs/dbraw/zinc/63/38/18/710633818.db2.gz RULUGCJNNJPIOM-LLVKDONJSA-N 1 0 311.338 1.201 20 5 DDBDRO CO[C@H]1CC[C@@H]1[N@H+](C)Cn1nc(C)c2cc([N+](=O)[O-])cnc21 ZINC000902635602 710830830 /nfs/dbraw/zinc/83/08/30/710830830.db2.gz AWYHMDWWNQMIRW-STQMWFEESA-N 1 0 305.338 1.715 20 5 DDBDRO CC(C)Oc1nc(N2CC[C@@H]3C[N@H+](C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000893933534 710891595 /nfs/dbraw/zinc/89/15/95/710891595.db2.gz AQNYLQMMVITDOE-YPMHNXCESA-N 1 0 306.366 1.917 20 5 DDBDRO COc1cc([C@H](C)[NH2+]C[C@@H](CO)[C@H]2CCOC2)cc([N+](=O)[O-])c1 ZINC000903168218 711053383 /nfs/dbraw/zinc/05/33/83/711053383.db2.gz UWNIJWNYIBYSSL-OBJOEFQTSA-N 1 0 324.377 1.899 20 5 DDBDRO COc1cc([N+](=O)[O-])cnc1N1CCOC2(CC[NH+](C)CC2)C1 ZINC000894361927 711087467 /nfs/dbraw/zinc/08/74/67/711087467.db2.gz QOVUMKHUADURPF-UHFFFAOYSA-N 1 0 322.365 1.299 20 5 DDBDRO Cc1c(CNC(=O)N2CC[C@H]3C[N@@H+](C)C[C@@H]32)cccc1[N+](=O)[O-] ZINC000894395851 711102155 /nfs/dbraw/zinc/10/21/55/711102155.db2.gz BZEASVCPSMRHBF-ZFWWWQNUSA-N 1 0 318.377 1.749 20 5 DDBDRO C[C@@H](N[C@H]1CC[NH2+]C12CCC2)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000903464987 711134985 /nfs/dbraw/zinc/13/49/85/711134985.db2.gz COXRLIYMDAQRDP-RISCZKNCSA-N 1 0 318.377 1.796 20 5 DDBDRO C[C@@]1(NC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C[NH+]2CCC1CC2 ZINC000912374429 711299019 /nfs/dbraw/zinc/29/90/19/711299019.db2.gz NYHCKZRYFIPOGF-GDBMZVCRSA-N 1 0 319.361 1.229 20 5 DDBDRO CCOC(=O)c1ccnc(N[C@@H]2CC[N@H+](C)[C@H]2C)c1[N+](=O)[O-] ZINC000895739037 711591819 /nfs/dbraw/zinc/59/18/19/711591819.db2.gz AMOJNYWTCWUWIP-GXSJLCMTSA-N 1 0 308.338 1.671 20 5 DDBDRO COc1cc(CN2CC[C@H]([NH2+]CC[N+](=O)[O-])C2)cc(OC)c1 ZINC000905158502 711955090 /nfs/dbraw/zinc/95/50/90/711955090.db2.gz GUMHRAVEOCHXNB-ZDUSSCGKSA-N 1 0 309.366 1.144 20 5 DDBDRO C[NH+](C)C1(CNC(=O)NCCNc2ccccc2[N+](=O)[O-])CC1 ZINC000913933261 713321651 /nfs/dbraw/zinc/32/16/51/713321651.db2.gz AGSLANBHCIYOGY-UHFFFAOYSA-N 1 0 321.381 1.400 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1C ZINC000914290940 713371541 /nfs/dbraw/zinc/37/15/41/713371541.db2.gz FIQKQXVWVFYDJR-GXFFZTMASA-N 1 0 322.365 1.495 20 5 DDBDRO O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)NCC[NH+]1CCCC1 ZINC000915281702 713415448 /nfs/dbraw/zinc/41/54/48/713415448.db2.gz UHWGDWYKEQFNFH-UHFFFAOYSA-N 1 0 317.349 1.157 20 5 DDBDRO C[NH+](C)CCCOC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000917107259 713482647 /nfs/dbraw/zinc/48/26/47/713482647.db2.gz DDXMONLTKPIGFA-UHFFFAOYSA-N 1 0 310.306 1.475 20 5 DDBDRO C[N@@H+]1CCC[C@@H]1Cn1c(=O)onc1-c1cccc([N+](=O)[O-])c1 ZINC000917686709 713509862 /nfs/dbraw/zinc/50/98/62/713509862.db2.gz XYXGWVNKDKWWGC-GFCCVEGCSA-N 1 0 304.306 1.506 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)NCC[NH+]1CCCCCC1 ZINC000930103696 713756894 /nfs/dbraw/zinc/75/68/94/713756894.db2.gz AHDNDYMCZMWEJR-UHFFFAOYSA-N 1 0 309.370 1.092 20 5 DDBDRO C[C@@H]([NH2+]CC[N+](=O)[O-])c1ccc(OCC(=O)NC2CC2)cc1 ZINC000930199345 713776511 /nfs/dbraw/zinc/77/65/11/713776511.db2.gz SGZAOYHVECLCON-LLVKDONJSA-N 1 0 307.350 1.271 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000922731245 714130829 /nfs/dbraw/zinc/13/08/29/714130829.db2.gz YVUDGMBFFKGLLC-INWMFGNUSA-N 1 0 322.361 1.887 20 5 DDBDRO Cn1nccc1[C@@H](O)C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000922974686 714201506 /nfs/dbraw/zinc/20/15/06/714201506.db2.gz QTXDCSGZERTMFX-ZDUSSCGKSA-N 1 0 310.741 1.805 20 5 DDBDRO COC(=O)C[C@@H]1C[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000932105415 714260248 /nfs/dbraw/zinc/26/02/48/714260248.db2.gz UXICHFLJEWKUET-UXIGCNINSA-N 1 0 322.361 1.759 20 5 DDBDRO C[NH2+][C@H]1CCCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000923284310 714297194 /nfs/dbraw/zinc/29/71/94/714297194.db2.gz LPKMIQAESRSSKO-STQMWFEESA-N 1 0 309.366 1.018 20 5 DDBDRO C[C@@H]1CN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H](C)[NH2+]1 ZINC000923288134 714298634 /nfs/dbraw/zinc/29/86/34/714298634.db2.gz ZQOPOLUQTXGOMM-UPJWGTAASA-N 1 0 309.366 1.017 20 5 DDBDRO C[NH2+]C[C@H]1CCCCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000923422918 714351062 /nfs/dbraw/zinc/35/10/62/714351062.db2.gz JLSPQXNSHHQMSA-HUUCEWRRSA-N 1 0 323.393 1.408 20 5 DDBDRO CSCC1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000932592117 714363657 /nfs/dbraw/zinc/36/36/57/714363657.db2.gz NOCGBCQJCBGHNJ-ZDUSSCGKSA-N 1 0 314.411 1.227 20 5 DDBDRO CCOC(=O)[C@H]1CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000932644235 714373373 /nfs/dbraw/zinc/37/33/73/714373373.db2.gz HKPUXNHGSIEVEU-JSGCOSHPSA-N 1 0 308.334 1.513 20 5 DDBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923520849 714389005 /nfs/dbraw/zinc/38/90/05/714389005.db2.gz PVRQTMDCWCDXTC-RWMBFGLXSA-N 1 0 318.377 1.463 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](CC)CCC(=O)NC ZINC000933867845 714687516 /nfs/dbraw/zinc/68/75/16/714687516.db2.gz QACITXCCNZJWSF-UHFFFAOYSA-N 1 0 309.366 1.952 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000935151028 714989028 /nfs/dbraw/zinc/98/90/28/714989028.db2.gz IPLUAFMNZVZASU-NSHDSACASA-N 1 0 323.397 1.288 20 5 DDBDRO CC1(C)CNC(=O)[C@H]1[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000926112774 715007579 /nfs/dbraw/zinc/00/75/79/715007579.db2.gz FIFVSXGUNPTOKP-GFCCVEGCSA-N 1 0 311.769 1.905 20 5 DDBDRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)Cn1c(C)ncc1[N+](=O)[O-] ZINC000935779421 715127939 /nfs/dbraw/zinc/12/79/39/715127939.db2.gz YISRWQHOACKXLS-GFCCVEGCSA-N 1 0 309.370 1.042 20 5 DDBDRO CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1C[NH+](CCC2CCCC2)C1 ZINC000950056147 720469822 /nfs/dbraw/zinc/46/98/22/720469822.db2.gz UVQLXNINQWBDHW-HUUCEWRRSA-N 1 0 309.410 1.765 20 5 DDBDRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2cccc([N+](=O)[O-])n2)C1 ZINC001164729160 720509287 /nfs/dbraw/zinc/50/92/87/720509287.db2.gz HSMCPZOJQIRLRA-GFCCVEGCSA-N 1 0 316.365 1.384 20 5 DDBDRO COc1nc(C)c([N+](=O)[O-])c(N2CC[NH+](C3CCCC3)CC2)n1 ZINC001165027890 721856227 /nfs/dbraw/zinc/85/62/27/721856227.db2.gz ANJWEXAUGAYJHJ-UHFFFAOYSA-N 1 0 321.381 1.766 20 5 DDBDRO COc1nc(-n2ccnc2[C@H]2CCC[NH2+]C2)ncc1[N+](=O)[O-] ZINC001167054517 732352200 /nfs/dbraw/zinc/35/22/00/732352200.db2.gz AYIQOPJIDLELAJ-VIFPVBQESA-N 1 0 304.310 1.046 20 5 DDBDRO [NH3+][C@H]1CN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)C[C@H]1O ZINC001167090063 732554317 /nfs/dbraw/zinc/55/43/17/732554317.db2.gz RYVQXSVVIVGPBN-WCQYABFASA-N 1 0 318.308 1.304 20 5 DDBDRO O=C(NCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1cc[nH]c(=O)c1 ZINC001125604544 734764164 /nfs/dbraw/zinc/76/41/64/734764164.db2.gz FGRCCZOXTCPNQL-UHFFFAOYSA-N 1 0 316.317 1.215 20 5 DDBDRO Cc1ccc(CC(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)o1 ZINC001125858544 736798156 /nfs/dbraw/zinc/79/81/56/736798156.db2.gz DRBCFPADSOELES-UHFFFAOYSA-N 1 0 317.345 1.945 20 5 DDBDRO O=C(NCC[NH2+]Cc1ccccc1[N+](=O)[O-])C1=CCOCC1 ZINC001126115138 738318765 /nfs/dbraw/zinc/31/87/65/738318765.db2.gz WENDGLIDJIKFQS-UHFFFAOYSA-N 1 0 305.334 1.147 20 5 DDBDRO CN1CCc2c(N[C@H]3C[NH2+]CC[C@H]3F)ccc([N+](=O)[O-])c2C1 ZINC001168231887 741834200 /nfs/dbraw/zinc/83/42/00/741834200.db2.gz UOBNDNHVXQNVNU-OCCSQVGLSA-N 1 0 308.357 1.695 20 5 DDBDRO CC(C)(O)C[NH+]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000255193781 741982031 /nfs/dbraw/zinc/98/20/31/741982031.db2.gz ITIHPRYLTOUCLZ-ALCCZGGFSA-N 1 0 319.405 1.997 20 5 DDBDRO O=C(NCC[NH2+]Cc1ccc(F)c(Cl)c1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126932243 742776640 /nfs/dbraw/zinc/77/66/40/742776640.db2.gz OAEHJTJOXAYHSP-BXKDBHETSA-N 1 0 315.732 1.350 20 5 DDBDRO Cc1c[nH]cc1C(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001151025320 743157025 /nfs/dbraw/zinc/15/70/25/743157025.db2.gz PDEDQDOHVPRPEM-UHFFFAOYSA-N 1 0 302.334 1.751 20 5 DDBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1C[C@H](CO)[C@H](CCO)C1 ZINC001184364203 744020049 /nfs/dbraw/zinc/02/00/49/744020049.db2.gz OOJSGTIPHGIZPV-HUTFFOLGSA-N 1 0 320.389 1.921 20 5 DDBDRO C[C@@H]1COCC[N@@H+]1C1CCN(c2nn(C)cc2[N+](=O)[O-])CC1 ZINC001186881358 744458368 /nfs/dbraw/zinc/45/83/68/744458368.db2.gz NZKVDOUEJNUZSI-LLVKDONJSA-N 1 0 309.370 1.018 20 5 DDBDRO C[C@@H](O)[C@@H](C)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001194723998 746449767 /nfs/dbraw/zinc/44/97/67/746449767.db2.gz PKXDHVRPLYZCIT-VXGBXAGGSA-N 1 0 307.350 1.122 20 5 DDBDRO Cc1ccncc1C(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001125184791 749007934 /nfs/dbraw/zinc/00/79/34/749007934.db2.gz OVKLWYNIHZIYGL-UHFFFAOYSA-N 1 0 320.374 1.879 20 5 DDBDRO CCC[N@H+](C)CC(=O)NCCCN(C)c1ccc([N+](=O)[O-])cc1 ZINC001095605711 750074400 /nfs/dbraw/zinc/07/44/00/750074400.db2.gz YHOZJHMAHBNERD-UHFFFAOYSA-N 1 0 322.409 1.879 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@@H](CO)COCc2ccccc2)C1 ZINC001168979809 762147302 /nfs/dbraw/zinc/14/73/02/762147302.db2.gz BIXWAXXXAQIXBA-OAGGEKHMSA-N 1 0 308.378 1.599 20 5 DDBDRO [NH3+][C@H]1CC[C@H](N=c2cnccn2[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168994583 762167601 /nfs/dbraw/zinc/16/76/01/762167601.db2.gz QDYKIXBXLGOURT-KBUPBQIOSA-N 1 0 319.409 1.672 20 5 DDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+][C@H]2CCCN(c3ncccn3)C2)C1 ZINC001168999785 762171868 /nfs/dbraw/zinc/17/18/68/762171868.db2.gz VRKWZQGORYLOGB-IHRRRGAJSA-N 1 0 305.382 1.480 20 5 DDBDRO COC(=O)[C@H]1C2CCC(CC2)[C@@H]1[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169001247 762172973 /nfs/dbraw/zinc/17/29/73/762172973.db2.gz DXSVZDZGDRFSPP-VZPJQNINSA-N 1 0 310.394 1.999 20 5 DDBDRO CCNC(=O)CO[C@@H]1CCC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169039941 762193425 /nfs/dbraw/zinc/19/34/25/762193425.db2.gz WAXJDACLXJLFCZ-MGPQQGTHSA-N 1 0 313.398 1.049 20 5 DDBDRO CC1=NC2(CC[NH+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)C(=O)N1C ZINC001169054214 762209246 /nfs/dbraw/zinc/20/92/46/762209246.db2.gz KVLWKOVRSDZASR-STQMWFEESA-N 1 0 308.382 1.157 20 5 DDBDRO COc1cc(O[C@@H]2CC[N@@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C2)ccn1 ZINC001169056365 762211236 /nfs/dbraw/zinc/21/12/36/762211236.db2.gz SLESEXBMHIKDRB-GZBFAFLISA-N 1 0 321.377 1.989 20 5 DDBDRO CS(=O)(=O)N(CC[NH3+])c1ccc2ccc3cccnc3c2n1 ZINC001154765727 759264618 /nfs/dbraw/zinc/26/46/18/759264618.db2.gz HWXPTOYHAMEDHV-UHFFFAOYSA-N 1 0 316.386 1.508 20 5 DDBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)c1ccon1 ZINC001020008376 760420356 /nfs/dbraw/zinc/42/03/56/760420356.db2.gz WBSWBRKVSQPRQX-HAQNSBGRSA-N 1 0 316.317 1.633 20 5 DDBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccccc2Cl)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001020138976 760613136 /nfs/dbraw/zinc/61/31/36/760613136.db2.gz KSBWPOAKKSSRDK-HKUMRIAESA-N 1 0 323.780 1.742 20 5 DDBDRO C[C@@H]1CN(C(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC001156689249 763676684 /nfs/dbraw/zinc/67/66/84/763676684.db2.gz QFNZTFWBDFJKTJ-SSDOTTSWSA-N 1 0 306.700 1.986 20 5 DDBDRO CN(CCCNc1ccc([N+](=O)[O-])cn1)C(=O)C[NH+]1CCCC1 ZINC001109454576 763724301 /nfs/dbraw/zinc/72/43/01/763724301.db2.gz HTMGVNJLWVZRIR-UHFFFAOYSA-N 1 0 321.381 1.346 20 5 DDBDRO Cc1cnoc1C(=O)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001170037788 764289452 /nfs/dbraw/zinc/28/94/52/764289452.db2.gz UYRQSKJCARVJDR-UHFFFAOYSA-N 1 0 318.333 1.801 20 5 DDBDRO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1C[NH+](CC2CCC3(CC3)CC2)C1 ZINC001042710262 764378186 /nfs/dbraw/zinc/37/81/86/764378186.db2.gz AVGBIVRBXSPSGA-HUUCEWRRSA-N 1 0 321.421 1.765 20 5 DDBDRO C[C@H](Nc1cc2c(c([N+](=O)[O-])c1)NN(C)C2)[C@@H]1C[NH2+]CCO1 ZINC001170576447 768253647 /nfs/dbraw/zinc/25/36/47/768253647.db2.gz VFRXBHGFRWQNBP-ZANVPECISA-N 1 0 307.354 1.156 20 5 DDBDRO [NH3+]Cc1cnn(C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)c1 ZINC001157471591 765297173 /nfs/dbraw/zinc/29/71/73/765297173.db2.gz KSWJPZNRXYEXCJ-UHFFFAOYSA-N 1 0 303.656 1.896 20 5 DDBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C1(CCF)CC1 ZINC001131722264 768290964 /nfs/dbraw/zinc/29/09/64/768290964.db2.gz XTIWBYCZOAVELR-UHFFFAOYSA-N 1 0 309.341 1.940 20 5 DDBDRO COc1ccc(C[C@H](C)N2CCO[C@@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC001170311060 766244367 /nfs/dbraw/zinc/24/43/67/766244367.db2.gz ZBGNRGWILXNKPT-FZMZJTMJSA-N 1 0 309.366 1.194 20 5 DDBDRO COc1ccc(C[C@@H](C)n2cc(C[NH3+])cnc2=N)c([N+](=O)[O-])c1 ZINC001170325639 766253133 /nfs/dbraw/zinc/25/31/33/766253133.db2.gz XUBZCXGTRRBBFW-SNVBAGLBSA-N 1 0 317.349 1.542 20 5 DDBDRO O=[N+]([O-])c1ccc(N[C@@H]2C[NH2+]C[C@H]2CO)c(C(F)(F)F)c1 ZINC001170783631 771275262 /nfs/dbraw/zinc/27/52/62/771275262.db2.gz YNGZDILLRRZAKF-WRWORJQWSA-N 1 0 305.256 1.606 20 5 DDBDRO C[C@@H](Nc1nc(Cl)nc(Cl)c1[N+](=O)[O-])[C@H]1C[NH2+]CCO1 ZINC001159497499 771613409 /nfs/dbraw/zinc/61/34/09/771613409.db2.gz OGVXAESJROISKU-PHDIDXHHSA-N 1 0 322.152 1.480 20 5 DDBDRO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1cc(F)cc([N+](=O)[O-])c1C ZINC001170874482 771808586 /nfs/dbraw/zinc/80/85/86/771808586.db2.gz YBZCUQGDCLCXQS-ZYHUDNBSSA-N 1 0 311.313 1.605 20 5 DDBDRO CC(C)[N@H+](C)CC(=O)NCCNc1ccc([N+](=O)[O-])cc1F ZINC001093674328 774989276 /nfs/dbraw/zinc/98/92/76/774989276.db2.gz VHFYGDJRJOGMHN-UHFFFAOYSA-N 1 0 312.345 1.602 20 5 DDBDRO Cc1ccc(NCCNC(=O)C23CC[NH+](CC2)C3)c([N+](=O)[O-])c1 ZINC001093768594 775065718 /nfs/dbraw/zinc/06/57/18/775065718.db2.gz AHUBRIBSEJUQHO-UHFFFAOYSA-N 1 0 318.377 1.527 20 5 DDBDRO CC[N@H+](C)C(C)(C)C(=O)NCCN(C)c1ccc([N+](=O)[O-])cn1 ZINC001100204111 775816109 /nfs/dbraw/zinc/81/61/09/775816109.db2.gz UWSBPJAWPIEDFO-UHFFFAOYSA-N 1 0 323.397 1.273 20 5 DDBDRO O=C1CC[C@@H]([NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CN1 ZINC001172899213 776914274 /nfs/dbraw/zinc/91/42/74/776914274.db2.gz MGNBPZCXQPSCGU-UONOGXRCSA-N 1 0 303.362 1.710 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+][C@@H]1CCOC[C@H]1O)CC2 ZINC001172902359 776915975 /nfs/dbraw/zinc/91/59/75/776915975.db2.gz XQXPUARGNGDPKP-NUEKZKHPSA-N 1 0 306.362 1.582 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)n2c(C)nnc2C[NH3+])c1F ZINC001173183866 777035159 /nfs/dbraw/zinc/03/51/59/777035159.db2.gz JZUWKCKZBYUUDB-MRVPVSSYSA-N 1 0 323.328 1.905 20 5 DDBDRO COC(=O)C[C@H]1CN([C@H](C)Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC001173235762 777064847 /nfs/dbraw/zinc/06/48/47/777064847.db2.gz ZEAQOWPFZVDGRP-DOMZBBRYSA-N 1 0 322.361 1.790 20 5 DDBDRO COc1cc(C[NH2+]CCNc2cnccn2)c([N+](=O)[O-])cc1O ZINC001178175845 778923840 /nfs/dbraw/zinc/92/38/40/778923840.db2.gz BNDUZJGWHKDLGI-UHFFFAOYSA-N 1 0 319.321 1.301 20 5 DDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC001116230211 780487172 /nfs/dbraw/zinc/48/71/72/780487172.db2.gz URPUVMHRCBKOMS-QWRGUYRKSA-N 1 0 318.377 1.992 20 5 DDBDRO O=C([C@H]1CC[C@H](C2CC2)[NH2+]1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001118272631 781080928 /nfs/dbraw/zinc/08/09/28/781080928.db2.gz DGDMBFQJBKIMAH-HUUCEWRRSA-N 1 0 301.346 1.968 20 5 DDBDRO C[NH+](C)CC[C@@H]1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC001154643130 861315263 /nfs/dbraw/zinc/31/52/63/861315263.db2.gz JABWBQLQQFPSJT-LLVKDONJSA-N 1 0 306.366 1.591 20 5 DDBDRO CC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[NH+](C/C=C/Cl)CC1 ZINC001270878953 843004623 /nfs/dbraw/zinc/00/46/23/843004623.db2.gz GTCFZSIPJWVKDQ-JAVOVTSZSA-N 1 0 315.801 1.622 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1N1CC[NH+](CCCCO)CC1)CCN2 ZINC001326440995 861371885 /nfs/dbraw/zinc/37/18/85/861371885.db2.gz AOVBTPPZJUXMEJ-UHFFFAOYSA-N 1 0 320.393 1.457 20 5 DDBDRO CN(CC[N@H+](C)CCO)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC001149206804 861488380 /nfs/dbraw/zinc/48/83/80/861488380.db2.gz VHPXUSRDMABQKD-UHFFFAOYSA-N 1 0 320.349 1.072 20 5 DDBDRO CSCC(=O)NCCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001233639498 846060056 /nfs/dbraw/zinc/06/00/56/846060056.db2.gz HOZMCYUZVAXFNS-UHFFFAOYSA-N 1 0 311.407 1.896 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])cnc1NC[C@H]1CCC[NH2+]C[C@@H]1C ZINC001155020995 861654246 /nfs/dbraw/zinc/65/42/46/861654246.db2.gz SAGCVWYSLQQOEB-WDEREUQCSA-N 1 0 322.365 1.824 20 5 DDBDRO O=[N+]([O-])c1cccc2nc(NC[C@@H]3CO[C@@H]4C[NH2+]C[C@H]34)ccc21 ZINC001155482800 862143086 /nfs/dbraw/zinc/14/30/86/862143086.db2.gz FNZHZBKZWGHCGZ-IXPVHAAZSA-N 1 0 314.345 1.789 20 5 DDBDRO O=[N+]([O-])c1cc(Cl)cnc1NCc1noc2c1C[NH2+]CC2 ZINC001155495527 862157956 /nfs/dbraw/zinc/15/79/56/862157956.db2.gz SRBJMXARDCGIBN-UHFFFAOYSA-N 1 0 309.713 1.889 20 5 DDBDRO O=[N+]([O-])c1ccc2ncc(NC[C@]34C[NH2+]C[C@H]3COC4)nc2c1 ZINC001155510446 862174785 /nfs/dbraw/zinc/17/47/85/862174785.db2.gz UKVPESKKTHUDHL-BONVTDFDSA-N 1 0 315.333 1.186 20 5 DDBDRO O=C1C[C@H]2[NH2+]CC[C@@]2(Nc2ncc([N+](=O)[O-])c3ccccc23)N1 ZINC001155573202 862243858 /nfs/dbraw/zinc/24/38/58/862243858.db2.gz YWWDNHOGVOSEFC-DOMZBBRYSA-N 1 0 313.317 1.133 20 5 DDBDRO Cc1nc(NCC2([NH+](C)C)CCN(C)CC2)ncc1[N+](=O)[O-] ZINC001156188215 862793252 /nfs/dbraw/zinc/79/32/52/862793252.db2.gz QLUZVFKMHOETBF-UHFFFAOYSA-N 1 0 308.386 1.131 20 5 DDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CC[N@H+](CC1CCCC1)C2 ZINC001072725780 857642313 /nfs/dbraw/zinc/64/23/13/857642313.db2.gz RJTDDYNNKMJREJ-ZIAGYGMSSA-N 1 0 307.394 1.376 20 5 DDBDRO CCC[N@@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC001328431113 862971058 /nfs/dbraw/zinc/97/10/58/862971058.db2.gz CFTBYDZVUWKSQA-NSHDSACASA-N 1 0 322.321 1.717 20 5 DDBDRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC001121931338 858638444 /nfs/dbraw/zinc/63/84/44/858638444.db2.gz KVMKYGLJOVNOFP-WDEREUQCSA-N 1 0 309.341 1.875 20 5 DDBDRO COc1ccc(C(=O)N2CC[C@H](C[NH3+])[C@H](C)C2)cc1[N+](=O)[O-] ZINC001122295425 858741195 /nfs/dbraw/zinc/74/11/95/858741195.db2.gz JHJOXPCHTYLIIG-ZYHUDNBSSA-N 1 0 307.350 1.660 20 5 DDBDRO Cc1cc(C(=O)N2CCC(OC3C[NH2+]C3)CC2)ccc1[N+](=O)[O-] ZINC001122387121 858788913 /nfs/dbraw/zinc/78/89/13/858788913.db2.gz QBZUGPOBIQKWNR-UHFFFAOYSA-N 1 0 319.361 1.496 20 5 DDBDRO CC(C)(C)[NH+]1CCN(c2nnc(C[N+](=O)[O-])n2CC2CC2)CC1 ZINC001123411914 859223120 /nfs/dbraw/zinc/22/31/20/859223120.db2.gz AFBKELRBDATOSE-UHFFFAOYSA-N 1 0 322.413 1.385 20 5 DDBDRO O=C(CCn1cccn1)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001123712130 859375023 /nfs/dbraw/zinc/37/50/23/859375023.db2.gz DCRXWCLHBROIHF-UHFFFAOYSA-N 1 0 317.349 1.087 20 5 DDBDRO Cc1ccc(C(=O)N[C@@H]2CC[C@H]3C[N@@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC001124088462 859571805 /nfs/dbraw/zinc/57/18/05/859571805.db2.gz UWTJSHZIGRYCQP-BFHYXJOUSA-N 1 0 303.362 1.973 20 5 DDBDRO C[NH+]1CCN(CCO[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001224551123 881445427 /nfs/dbraw/zinc/44/54/27/881445427.db2.gz CUFDBGZWXBCCOM-MRXNPFEDSA-N 1 0 305.378 1.326 20 5 DDBDRO C[NH+](C)CC1(NC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)CCC1 ZINC001139281897 860352860 /nfs/dbraw/zinc/35/28/60/860352860.db2.gz DKTBOOAAQZQOML-UHFFFAOYSA-N 1 0 301.734 1.185 20 5 DDBDRO CC[NH+]1CCC(CNC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)CC1 ZINC001142146261 861037942 /nfs/dbraw/zinc/03/79/42/861037942.db2.gz UGBVYPAVYFVKLO-UHFFFAOYSA-N 1 0 315.761 1.433 20 5 DDBDRO [NH3+]CCc1ccn(C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)n1 ZINC001156898323 863427812 /nfs/dbraw/zinc/42/78/12/863427812.db2.gz LHNGZSPWWIDNPR-UHFFFAOYSA-N 1 0 317.683 1.939 20 5 DDBDRO Nc1nc(-n2cc(CC[NH3+])c3cc(O)ccc32)ccc1[N+](=O)[O-] ZINC001157217716 863659756 /nfs/dbraw/zinc/65/97/56/863659756.db2.gz BXYHNQXWGGYXHS-UHFFFAOYSA-N 1 0 313.317 1.723 20 5 DDBDRO COc1nc(N2CCCC[C@]23CCC[NH2+]C3)ncc1[N+](=O)[O-] ZINC001157467559 863842449 /nfs/dbraw/zinc/84/24/49/863842449.db2.gz GABSHRXIDVRQOX-CQSZACIVSA-N 1 0 307.354 1.506 20 5 DDBDRO CC(C(=O)NCCC[NH2+]Cc1c([N+](=O)[O-])ncn1C)=C1CCC1 ZINC001157710872 864067688 /nfs/dbraw/zinc/06/76/88/864067688.db2.gz LJISNZVKHFGVTE-UHFFFAOYSA-N 1 0 321.381 1.425 20 5 DDBDRO O=C(NCCC[NH2+]Cc1cc(F)cc(F)c1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157767542 864117908 /nfs/dbraw/zinc/11/79/08/864117908.db2.gz PXUBHAMLCWKCMY-CHWSQXEVSA-N 1 0 313.304 1.226 20 5 DDBDRO [NH3+]Cc1nnnn1-c1ccc2c(ccc(Cl)c2[N+](=O)[O-])n1 ZINC001158077514 864410222 /nfs/dbraw/zinc/41/02/22/864410222.db2.gz SYHWNZQEAIXBOL-UHFFFAOYSA-N 1 0 305.685 1.231 20 5 DDBDRO O=C(NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccncc1 ZINC001154140067 864442598 /nfs/dbraw/zinc/44/25/98/864442598.db2.gz JSVZFMUTSNUDKV-UHFFFAOYSA-N 1 0 314.345 1.900 20 5 DDBDRO COc1nc(N2CCO[C@@H](C[NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC001158304997 864557912 /nfs/dbraw/zinc/55/79/12/864557912.db2.gz POVCMTGWUYNFKV-LBPRGKRZSA-N 1 0 322.365 1.299 20 5 DDBDRO O=[N+]([O-])c1cnc(N2CCO[C@@H](C[NH+]3CCCC3)C2)c(F)c1 ZINC001158309079 864564257 /nfs/dbraw/zinc/56/42/57/864564257.db2.gz ATMWWNGOGRSHDO-LBPRGKRZSA-N 1 0 310.329 1.430 20 5 DDBDRO C[NH+](C)Cc1ccc(O[C@@H]2COc3nc([N+](=O)[O-])cn3C2)cc1 ZINC001225333428 881783566 /nfs/dbraw/zinc/78/35/66/881783566.db2.gz PVIYXCYZFLXAQB-ZDUSSCGKSA-N 1 0 318.333 1.693 20 5 DDBDRO COc1nc(NC(C)(C)CC[NH+](C)C)nc(OC)c1[N+](=O)[O-] ZINC001158756919 864881036 /nfs/dbraw/zinc/88/10/36/864881036.db2.gz GVCMIWCZLYSWNU-UHFFFAOYSA-N 1 0 313.358 1.544 20 5 DDBDRO Cc1cc(NC[C@@H]2COCC[NH2+]2)nc2ccc([N+](=O)[O-])cc12 ZINC001159043819 865070538 /nfs/dbraw/zinc/07/05/38/865070538.db2.gz YAAJSHWWDUMNDC-LLVKDONJSA-N 1 0 302.334 1.852 20 5 DDBDRO Cc1c(C(=O)N(CC[NH3+])CC(F)(F)F)cccc1[N+](=O)[O-] ZINC001331990409 865484039 /nfs/dbraw/zinc/48/40/39/865484039.db2.gz AHIQUVRSSTWDLM-UHFFFAOYSA-N 1 0 305.256 1.866 20 5 DDBDRO CCOC(=O)CN(CC[NH3+])c1ncc([N+](=O)[O-])c2ccccc21 ZINC001159864247 865569113 /nfs/dbraw/zinc/56/91/13/865569113.db2.gz NUIPWTZNFIQQSZ-UHFFFAOYSA-N 1 0 318.333 1.471 20 5 DDBDRO C[NH+]1CCC(OCC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC001160701896 866048202 /nfs/dbraw/zinc/04/82/02/866048202.db2.gz ANUVBSUAVTXZGW-UHFFFAOYSA-N 1 0 308.338 1.226 20 5 DDBDRO Cc1nc(N2CCC[N@H+](C[C@H]3CCCO3)CC2)ncc1[N+](=O)[O-] ZINC001324417764 867266617 /nfs/dbraw/zinc/26/66/17/867266617.db2.gz QKPXDKGHJYWEIR-CYBMUJFWSA-N 1 0 321.381 1.384 20 5 DDBDRO COc1nc(N[C@@]2(C)CCC[N@H+](C)C2)nc(OC)c1[N+](=O)[O-] ZINC001162341390 867474223 /nfs/dbraw/zinc/47/42/23/867474223.db2.gz MARDQGXSGPMDQR-ZDUSSCGKSA-N 1 0 311.342 1.298 20 5 DDBDRO CN(C)C(=O)OCC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC001324800916 867532487 /nfs/dbraw/zinc/53/24/87/867532487.db2.gz FGZQCCAZEQAGPU-UHFFFAOYSA-N 1 0 311.342 1.126 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])ncc1NC[C@@H]1CCC[NH2+]C[C@@H]1C ZINC001162470023 867556761 /nfs/dbraw/zinc/55/67/61/867556761.db2.gz HEDUNIDUFJQIOM-QWRGUYRKSA-N 1 0 322.365 1.824 20 5 DDBDRO COc1ncc([N+](=O)[O-])c(-n2c3ccccc3nc2[C@@H](C)[NH3+])n1 ZINC001162757826 867803795 /nfs/dbraw/zinc/80/37/95/867803795.db2.gz COQQPYZWPYKEOZ-MRVPVSSYSA-N 1 0 314.305 1.752 20 5 DDBDRO Cc1nn(C)c(C)c1CNc1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-] ZINC001162883783 867896015 /nfs/dbraw/zinc/89/60/15/867896015.db2.gz UQXWEVBVIGMZGS-UHFFFAOYSA-N 1 0 317.353 1.034 20 5 DDBDRO O=[N+]([O-])c1ccc2nc(N[C@H]3COCCC34C[NH2+]C4)ccc2c1 ZINC001163065357 868050110 /nfs/dbraw/zinc/05/01/10/868050110.db2.gz MSOXHGFLDGFCJI-AWEZNQCLSA-N 1 0 314.345 1.933 20 5 DDBDRO COc1cc(NC[C@@H]2OC[C@H]3C[NH2+]CC[C@H]32)cc([N+](=O)[O-])c1C ZINC001163176451 868191447 /nfs/dbraw/zinc/19/14/47/868191447.db2.gz QYSCMTRPCGGEKO-KFNAQCHYSA-N 1 0 321.377 1.948 20 5 DDBDRO CC(C)[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccn1 ZINC001335337311 868235085 /nfs/dbraw/zinc/23/50/85/868235085.db2.gz MORAJLJQFHHBPO-ZFWWWQNUSA-N 1 0 319.365 1.534 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(NC[C@H]2CO[C@]3(C2)CCC[NH2+]C3)n1 ZINC001163269142 868286531 /nfs/dbraw/zinc/28/65/31/868286531.db2.gz WRVHKTWCRVOSCX-NHYWBVRUSA-N 1 0 322.365 1.569 20 5 DDBDRO COc1ccc(NC[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)nc1[N+](=O)[O-] ZINC001163272259 868291271 /nfs/dbraw/zinc/29/12/71/868291271.db2.gz UXIJWWPOBMAIPR-XHDPSFHLSA-N 1 0 322.365 1.569 20 5 DDBDRO COC(=O)c1nc(Cl)nc(NCC2([NH3+])CCC2)c1[N+](=O)[O-] ZINC001163320853 868348416 /nfs/dbraw/zinc/34/84/16/868348416.db2.gz FMHPECHMXAYVDX-UHFFFAOYSA-N 1 0 315.717 1.118 20 5 DDBDRO COc1nc(C)c(N[C@@H]2CCO[C@@]3(CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC001163324287 868351719 /nfs/dbraw/zinc/35/17/19/868351719.db2.gz RRDNYTJCAYNIDV-ABAIWWIYSA-N 1 0 322.365 1.630 20 5 DDBDRO CCOC(=O)CC1([NH3+])CCN(c2ncc([N+](=O)[O-])cc2C)CC1 ZINC001163528090 868509821 /nfs/dbraw/zinc/50/98/21/868509821.db2.gz UBNDFKWJQRMGBD-UHFFFAOYSA-N 1 0 322.365 1.549 20 5 DDBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N2CC([NH+](C)C)C2)n1 ZINC001163932347 868804156 /nfs/dbraw/zinc/80/41/56/868804156.db2.gz NCCAGUWBISXMMU-UHFFFAOYSA-N 1 0 303.775 1.510 20 5 DDBDRO CC(C)(C)OC(=O)NC[C@@H]([NH2+]CC[N+](=O)[O-])C1CCCC1 ZINC001336244767 868812368 /nfs/dbraw/zinc/81/23/68/868812368.db2.gz GREGLRGGFWQCDA-GFCCVEGCSA-N 1 0 301.387 1.936 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@@H](C)CC[C@H]1C[NH3+] ZINC001164061687 868921761 /nfs/dbraw/zinc/92/17/61/868921761.db2.gz GUQPXEMAGBZVNJ-UWVGGRQHSA-N 1 0 308.338 1.340 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CCC[C@@](C)(C[NH3+])CC2)n1 ZINC001164250771 869059371 /nfs/dbraw/zinc/05/93/71/869059371.db2.gz ZGGXNQFBTIYRDN-OAHLLOKOSA-N 1 0 322.365 1.732 20 5 DDBDRO C[C@@H](CNC(=O)NC[C@@H]1C[NH2+]C[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC001337024309 869270987 /nfs/dbraw/zinc/27/09/87/869270987.db2.gz PEQOWEBMGGWQCP-AGIUHOORSA-N 1 0 320.393 1.853 20 5 DDBDRO CC1([NH+]2CCOCC2)CCN(c2ncc([N+](=O)[O-])cc2N)CC1 ZINC001165133682 869402233 /nfs/dbraw/zinc/40/22/33/869402233.db2.gz GDTQIFHHTLVMAV-UHFFFAOYSA-N 1 0 321.381 1.263 20 5 DDBDRO O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1N1CC[C@]2(C1)CCC[NH2+]C2 ZINC001165238805 869458146 /nfs/dbraw/zinc/45/81/46/869458146.db2.gz IBAXSAIWLUQBOG-CYBMUJFWSA-N 1 0 312.757 1.462 20 5 DDBDRO O=[N+]([O-])c1ccc2ccnc(N3CC[C@@H]4[NH2+]CCO[C@H]4C3)c2c1 ZINC001165274075 869486360 /nfs/dbraw/zinc/48/63/60/869486360.db2.gz GAHJTUBYVAJHJG-GJZGRUSLSA-N 1 0 314.345 1.710 20 5 DDBDRO COc1ncnc(N2CCCC[C@@H]2C2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001165323064 869516986 /nfs/dbraw/zinc/51/69/86/869516986.db2.gz IHUKQLBXQLPLKA-GFCCVEGCSA-N 1 0 321.381 1.752 20 5 DDBDRO O=[N+]([O-])c1ccccc1-c1ccc(N2CCC[C@H]3[NH2+]C[C@H]32)nn1 ZINC001165392360 869563638 /nfs/dbraw/zinc/56/36/38/869563638.db2.gz BVKHXINEINTBOU-UKRRQHHQSA-N 1 0 311.345 1.992 20 5 DDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC001337735034 869611424 /nfs/dbraw/zinc/61/14/24/869611424.db2.gz RRJVFKFRLHUQKX-CABCVRRESA-N 1 0 318.377 1.993 20 5 DDBDRO COCc1nn(-c2ncc([N+](=O)[O-])cc2Cl)c2c1C[NH2+]C2 ZINC001165631787 869660650 /nfs/dbraw/zinc/66/06/50/869660650.db2.gz HEOQMJGAKHZDRK-UHFFFAOYSA-N 1 0 309.713 1.579 20 5 DDBDRO O=C(C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)NCc1ccco1 ZINC001338408580 869965177 /nfs/dbraw/zinc/96/51/77/869965177.db2.gz QZLIMGZTQMZGOC-CQSZACIVSA-N 1 0 319.317 1.127 20 5 DDBDRO CN(Cc1ccsc1)c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001166827996 870283720 /nfs/dbraw/zinc/28/37/20/870283720.db2.gz OSQQJZIYNQXUEV-UHFFFAOYSA-N 1 0 305.363 1.770 20 5 DDBDRO C[C@H]1C[C@@H]1C(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001339065794 870326324 /nfs/dbraw/zinc/32/63/24/870326324.db2.gz MRADMGULSPPIPN-AAEUAGOBSA-N 1 0 318.377 1.941 20 5 DDBDRO Cc1c(CNC(=O)[C@@H]2[NH2+]CC23CCOCC3)cccc1[N+](=O)[O-] ZINC001339771140 870681192 /nfs/dbraw/zinc/68/11/92/870681192.db2.gz FUSSZMZUFVLFFG-AWEZNQCLSA-N 1 0 319.361 1.288 20 5 DDBDRO C[C@@H]1CN(C(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC001341153051 871530182 /nfs/dbraw/zinc/53/01/82/871530182.db2.gz MAVRDYDTKUSMBL-LTZCYQRMSA-N 1 0 303.362 1.752 20 5 DDBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC001341513206 871687960 /nfs/dbraw/zinc/68/79/60/871687960.db2.gz AUQGIOXUNQQRPG-NTZNESFSSA-N 1 0 309.753 1.720 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001341536479 871700841 /nfs/dbraw/zinc/70/08/41/871700841.db2.gz HXFPHGPJFPJVTP-HBNTYKKESA-N 1 0 305.334 1.616 20 5 DDBDRO [NH3+][C@H]1C[C@H](NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC001342172245 872048832 /nfs/dbraw/zinc/04/88/32/872048832.db2.gz YPMLAMAYISILIZ-JOCQHMNTSA-N 1 0 321.380 1.761 20 5 DDBDRO Cc1c(CC(=O)N(C)C2(C[NH3+])CCOCC2)cccc1[N+](=O)[O-] ZINC001342958198 872449882 /nfs/dbraw/zinc/44/98/82/872449882.db2.gz CPRFNIWJPWXAAA-UHFFFAOYSA-N 1 0 321.377 1.412 20 5 DDBDRO CSc1ccc(C(=O)N(C)[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1[N+](=O)[O-] ZINC001343667726 872708494 /nfs/dbraw/zinc/70/84/94/872708494.db2.gz IVHZXIVYMRQMEQ-IWIIMEHWSA-N 1 0 307.375 1.607 20 5 DDBDRO C[NH2+]CCN(C(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1)C(C)C ZINC001344811642 873127011 /nfs/dbraw/zinc/12/70/11/873127011.db2.gz HKTZVHOPZHCATE-UHFFFAOYSA-N 1 0 309.366 1.982 20 5 DDBDRO COc1ccc(CC(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)cc1[N+](=O)[O-] ZINC001345502700 873425773 /nfs/dbraw/zinc/42/57/73/873425773.db2.gz VSHZCXDVTPRHKX-QJPTWQEYSA-N 1 0 305.334 1.155 20 5 DDBDRO COC[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001345645445 873464005 /nfs/dbraw/zinc/46/40/05/873464005.db2.gz DQYXOUNWUMMFSP-SOUVJXGZSA-N 1 0 319.361 1.145 20 5 DDBDRO CCOC(OCC)[C@@H](C)[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC001207870071 873627744 /nfs/dbraw/zinc/62/77/44/873627744.db2.gz ZMRYZOBWOGUYOP-VOMCLLRMSA-N 1 0 312.370 1.872 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C2CC(N3CCOCC3)C2)cc1 ZINC001346276469 873680823 /nfs/dbraw/zinc/68/08/23/873680823.db2.gz QHEWQSXBIXXIIF-BCLQGDPASA-N 1 0 321.377 1.081 20 5 DDBDRO C[NH+](C)C[C@]1(O)CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC001347175129 874042697 /nfs/dbraw/zinc/04/26/97/874042697.db2.gz LQIPQDMXSPFAQW-MRXNPFEDSA-N 1 0 321.377 1.052 20 5 DDBDRO Cc1nc(N2CCC([N@@H+]3CCCOCC3)CC2)ncc1[N+](=O)[O-] ZINC001347251690 874070513 /nfs/dbraw/zinc/07/05/13/874070513.db2.gz DTRBPTXAIZXENH-UHFFFAOYSA-N 1 0 321.381 1.384 20 5 DDBDRO CC[C@@H](C)[NH+]1CCN(c2nnc(C[N+](=O)[O-])n2CC2CC2)CC1 ZINC001348144902 874377058 /nfs/dbraw/zinc/37/70/58/874377058.db2.gz HYSJTNXJVDAFBW-GFCCVEGCSA-N 1 0 322.413 1.385 20 5 DDBDRO CC[NH+](CC)CC[C@@H](C)NC(=O)c1ccnc(NC)c1[N+](=O)[O-] ZINC001349879254 875429594 /nfs/dbraw/zinc/42/95/94/875429594.db2.gz GVPUAFKVERBQNU-LLVKDONJSA-N 1 0 323.397 1.882 20 5 DDBDRO COc1ccc2ncc([N+](=O)[O-])c(N3C[C@@H]4C[NH2+]C[C@H]4C3)c2c1 ZINC001349971273 875481216 /nfs/dbraw/zinc/48/12/16/875481216.db2.gz OFDXYCBXYLCTQX-QWRGUYRKSA-N 1 0 314.345 1.807 20 5 DDBDRO C[C@@H]1CC[C@H](Oc2[nH]c(=O)nc3cc([N+](=O)[O-])ccc32)C[NH2+]1 ZINC001218396896 877474317 /nfs/dbraw/zinc/47/43/17/877474317.db2.gz DSECNVJWXJWBTF-SCZZXKLOSA-N 1 0 304.306 1.763 20 5 DDBDRO Nc1ccc2n(C(=O)[C@@H]3C[C@H]([NH3+])CN3)c3ccccc3cc-2c1=O ZINC001219255824 878061199 /nfs/dbraw/zinc/06/11/99/878061199.db2.gz LXNWDLSRBIMRFY-FZMZJTMJSA-N 1 0 322.368 1.018 20 5 DDBDRO CCC[N@H+](C)C[C@H]1CCN(c2nnc([C@H](C)[N+](=O)[O-])n2C)C1 ZINC001355414033 878544420 /nfs/dbraw/zinc/54/44/20/878544420.db2.gz ASNDSVMJQKZSSC-NWDGAFQWSA-N 1 0 310.402 1.321 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](C)c1nnc2ccccn21 ZINC001473360713 880386144 /nfs/dbraw/zinc/38/61/44/880386144.db2.gz SFUCWWOCIBXNCV-SNVBAGLBSA-N 1 0 315.337 1.493 20 5 DDBDRO CC[N@@H+]1CC[C@H](OCc2cccc([N+](=O)[O-])c2C(=O)OC)C1 ZINC001223292835 880908918 /nfs/dbraw/zinc/90/89/18/880908918.db2.gz AJTJJWMSZGDPRC-LBPRGKRZSA-N 1 0 308.334 1.992 20 5 DDBDRO COC(=O)c1cccc(COC2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC001223664071 881049389 /nfs/dbraw/zinc/04/93/89/881049389.db2.gz DECVKRLWAPEVPW-UHFFFAOYSA-N 1 0 308.334 1.992 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])ccc1O[C@H](C)CN1CCOCC1 ZINC001229056036 883794730 /nfs/dbraw/zinc/79/47/30/883794730.db2.gz JXCMCQXEOOQIHI-LLVKDONJSA-N 1 0 324.333 1.481 20 5 DDBDRO O=[N+]([O-])c1c[n+]([O-])ccc1OC1CCN(c2cc[nH+]cc2)CC1 ZINC001229452406 883989431 /nfs/dbraw/zinc/98/94/31/883989431.db2.gz RJUDKXKQFCEGLN-UHFFFAOYSA-N 1 0 316.317 1.671 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CCC[NH2+]CC2)c1F ZINC001246529245 892678807 /nfs/dbraw/zinc/67/88/07/892678807.db2.gz ROYLFAPAARBRMU-NSHDSACASA-N 1 0 311.357 1.969 20 5 DDBDRO C[C@@H]1[C@H]([NH3+])CCN1C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001246547578 892688594 /nfs/dbraw/zinc/68/85/94/892688594.db2.gz DRVDCYRJEVATCU-MLGOLLRUSA-N 1 0 304.394 1.985 20 5 DDBDRO [NH3+]C[C@@H]1CN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCC1(F)F ZINC001246556733 892693506 /nfs/dbraw/zinc/69/35/06/892693506.db2.gz FXGISZZZJXYNPZ-TZMCWYRMSA-N 1 0 311.332 1.978 20 5 DDBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@@]23CC[C@@H]2C[NH2+]C3)n1 ZINC001247887220 893457875 /nfs/dbraw/zinc/45/78/75/893457875.db2.gz PNLBRRIKAPZJKZ-FUXBKTLASA-N 1 0 305.269 1.430 20 5 DDBDRO CC(=O)NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC001278693464 895614416 /nfs/dbraw/zinc/61/44/16/895614416.db2.gz LCWVJNFJTRRJOM-UHFFFAOYSA-N 1 0 307.350 1.370 20 5 DDBDRO O=C1C[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CO1 ZINC001254466688 896452931 /nfs/dbraw/zinc/45/29/31/896452931.db2.gz LTLLIDDBMXIBPA-LBPRGKRZSA-N 1 0 305.334 1.469 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCN(CCC[NH3+])CC1 ZINC001254539155 896494217 /nfs/dbraw/zinc/49/42/17/896494217.db2.gz GHWHUODXPREBRZ-CQSZACIVSA-N 1 0 306.410 1.492 20 5 DDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@]1(CN)CN2CCC1CC2 ZINC001254548206 896498866 /nfs/dbraw/zinc/49/88/66/896498866.db2.gz LFQGIEMRFGUBKI-SUMWQHHRSA-N 1 0 318.421 1.539 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])n1[nH]c(=O)c2c1CC[NH2+]C2 ZINC001254564418 896501433 /nfs/dbraw/zinc/50/14/33/896501433.db2.gz LVOBKOLJUSNCAY-SNVBAGLBSA-N 1 0 302.334 1.946 20 5 DDBDRO COCCN1CCC([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254580084 896513358 /nfs/dbraw/zinc/51/33/58/896513358.db2.gz BEBNLOTWAVQWMQ-MRXNPFEDSA-N 1 0 319.405 1.762 20 5 DDBDRO CNC(=O)N1CCC([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254584014 896515239 /nfs/dbraw/zinc/51/52/39/896515239.db2.gz FSRAADKIMDUWSX-AWEZNQCLSA-N 1 0 318.377 1.455 20 5 DDBDRO O=[N+]([O-])CCc1nnc([C@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC001255363596 896865000 /nfs/dbraw/zinc/86/50/00/896865000.db2.gz GIJGQTPZOOSWTO-ZDUSSCGKSA-N 1 0 302.334 1.878 20 5 DDBDRO COc1cc(N2CCC(N3CC[C@@H]([NH3+])C3)CC2)ccc1[N+](=O)[O-] ZINC001256085658 897277946 /nfs/dbraw/zinc/27/79/46/897277946.db2.gz RHXHWJIARJJADB-GFCCVEGCSA-N 1 0 320.393 1.605 20 5 DDBDRO CCOC(=O)C[C@H]1CCC[N@@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC001262013463 899896314 /nfs/dbraw/zinc/89/63/14/899896314.db2.gz CVEFZZHVHQHGSJ-GFCCVEGCSA-N 1 0 310.354 1.517 20 5 DDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CC[NH2+]CCC12CCC2 ZINC001262042683 899910815 /nfs/dbraw/zinc/91/08/15/899910815.db2.gz UDPNJLGVDZITNH-UHFFFAOYSA-N 1 0 303.362 1.882 20 5 DDBDRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2C[N@H+](CC[N+](=O)[O-])C[C@H]21 ZINC001262256055 900055600 /nfs/dbraw/zinc/05/56/00/900055600.db2.gz DYEHYZDGVASTLZ-JHJVBQTASA-N 1 0 313.398 1.888 20 5 DDBDRO C[NH+](C)C[C@@H](CO)Nc1c2cccc(Cl)c2ncc1[N+](=O)[O-] ZINC001262365734 900133843 /nfs/dbraw/zinc/13/38/43/900133843.db2.gz KQKJZRZIFJOCIF-VIFPVBQESA-N 1 0 324.768 1.553 20 5 DDBDRO COC(=O)c1ccnc(NC[C@@H]2CCCC[N@@H+]2C)c1[N+](=O)[O-] ZINC001262710401 900322699 /nfs/dbraw/zinc/32/26/99/900322699.db2.gz OTGBYDXAIPQOOP-JTQLQIEISA-N 1 0 308.338 1.673 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1C[NH2+]C[C@H]1C ZINC001263187366 900527683 /nfs/dbraw/zinc/52/76/83/900527683.db2.gz JCQKTLBVGKBXTH-MNOVXSKESA-N 1 0 307.350 1.579 20 5 DDBDRO CC[N@H+](C)CCC(=O)NCCN(C)c1ccc([N+](=O)[O-])c(C)c1 ZINC001263222234 900540067 /nfs/dbraw/zinc/54/00/67/900540067.db2.gz SYOCEJRQKAGKMA-UHFFFAOYSA-N 1 0 322.409 1.797 20 5 DDBDRO CCCC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2c([N+](=O)[O-])ncn2C)C1 ZINC001316607913 904265102 /nfs/dbraw/zinc/26/51/02/904265102.db2.gz DAFOZNRNWAJKMI-PHIMTYICSA-N 1 0 309.370 1.113 20 5 DDBDRO O=c1[nH]ccc(N2CCC[C@@H]([NH2+]C3CCOCC3)C2)c1[N+](=O)[O-] ZINC001307199644 916086572 /nfs/dbraw/zinc/08/65/72/916086572.db2.gz YFGLQKNIALBUAA-GFCCVEGCSA-N 1 0 322.365 1.433 20 5 DDBDRO CCOC(=O)c1cc(N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000278297863 214074079 /nfs/dbraw/zinc/07/40/79/214074079.db2.gz DGGNOANGWPQUSP-TXEJJXNPSA-N 1 0 319.361 1.769 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)n1 ZINC000248668915 282097959 /nfs/dbraw/zinc/09/79/59/282097959.db2.gz PDMPXYUYXRYKGZ-GHMZBOCLSA-N 1 0 309.370 1.223 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@H]([NH3+])Cc2ccccc21 ZINC000424080435 282167591 /nfs/dbraw/zinc/16/75/91/282167591.db2.gz TYULCJBWIXPYCP-GFCCVEGCSA-N 1 0 312.329 1.828 20 5 DDBDRO CC[C@]1(O)CC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000495250804 529442105 /nfs/dbraw/zinc/44/21/05/529442105.db2.gz JKFUQLFBXJVLEQ-HIFRSBDPSA-N 1 0 310.350 1.181 20 5 DDBDRO COC[C@]1(CO)CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000451920288 231232978 /nfs/dbraw/zinc/23/29/78/231232978.db2.gz ADTAKRRHYNJMLT-OAHLLOKOSA-N 1 0 310.350 1.304 20 5 DDBDRO COC[C@@]1(CO)CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000451930864 231239193 /nfs/dbraw/zinc/23/91/93/231239193.db2.gz NZVPOUOFUYOXLK-AWEZNQCLSA-N 1 0 316.304 1.704 20 5 DDBDRO CC[C@@H]1[C@H](CO)CC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000451261677 529485427 /nfs/dbraw/zinc/48/54/27/529485427.db2.gz WDGFJIVZOJCWDU-SWLSCSKDSA-N 1 0 321.377 1.935 20 5 DDBDRO CC[C@@H](CNS(C)(=O)=O)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000294935826 529493892 /nfs/dbraw/zinc/49/38/92/529493892.db2.gz BWRUDVWWDLTBHM-NSHDSACASA-N 1 0 301.368 1.012 20 5 DDBDRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)c1ccc([N+](=O)[O-])s1 ZINC000452348346 231355946 /nfs/dbraw/zinc/35/59/46/231355946.db2.gz LFBVLNQSJCCMRX-JTQLQIEISA-N 1 0 313.379 1.233 20 5 DDBDRO COC[C@@H](Cc1ccccc1)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000090539129 185301513 /nfs/dbraw/zinc/30/15/13/185301513.db2.gz IEGFNWBVZKLQOM-CQSZACIVSA-N 1 0 304.350 1.639 20 5 DDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000440362343 529730710 /nfs/dbraw/zinc/73/07/10/529730710.db2.gz YCEIPHNGNNXBAI-LLVKDONJSA-N 1 0 313.379 1.140 20 5 DDBDRO COc1ccc(NC(=O)NC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000272771499 210176400 /nfs/dbraw/zinc/17/64/00/210176400.db2.gz CALPAFSVKAPJRV-UHFFFAOYSA-N 1 0 308.338 1.819 20 5 DDBDRO COC(=O)CNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181820409 199356751 /nfs/dbraw/zinc/35/67/51/199356751.db2.gz OAROOISJPPVARA-QWRGUYRKSA-N 1 0 323.349 1.232 20 5 DDBDRO C[C@H]1C[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2F)CC[N@@H+]1C ZINC000358391864 299140821 /nfs/dbraw/zinc/14/08/21/299140821.db2.gz ITIQALUXLALPCD-JQWIXIFHSA-N 1 0 309.341 1.875 20 5 DDBDRO C[C@@H](C(=O)NC[C@@](C)(O)C[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000320158948 290819465 /nfs/dbraw/zinc/81/94/65/290819465.db2.gz HUSLGYJJHFGRMD-IAQYHMDHSA-N 1 0 309.366 1.127 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCC(C)(C)C[NH+](C)C)n1 ZINC000287016429 219271666 /nfs/dbraw/zinc/27/16/66/219271666.db2.gz PWGPOCPINCIUHX-UHFFFAOYSA-N 1 0 310.354 1.776 20 5 DDBDRO CCCC[C@@H](C[NH3+])NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000150310380 186056581 /nfs/dbraw/zinc/05/65/81/186056581.db2.gz QZAGJTGSYRVVQK-JTQLQIEISA-N 1 0 301.368 1.391 20 5 DDBDRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])C1 ZINC000237466715 186294178 /nfs/dbraw/zinc/29/41/78/186294178.db2.gz AQTLLDULLZMUIF-QWHCGFSZSA-N 1 0 320.393 1.617 20 5 DDBDRO C[C@@]1(O)CCC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000280086615 215365436 /nfs/dbraw/zinc/36/54/36/215365436.db2.gz OETZZGNDABLOOQ-GOEBONIOSA-N 1 0 324.377 1.571 20 5 DDBDRO CC[NH+]1CCN(CCCNC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000041443587 352308471 /nfs/dbraw/zinc/30/84/71/352308471.db2.gz KCZPWJAQVXJZKA-UHFFFAOYSA-N 1 0 320.393 1.352 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@@H]3CCCC[C@@H]32)c1 ZINC000331774298 234107295 /nfs/dbraw/zinc/10/72/95/234107295.db2.gz KWJAWZSCYDCDRB-CFVMTHIKSA-N 1 0 308.382 1.807 20 5 DDBDRO CC[N@H+](CCNC(=O)CN(C)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000173048210 198180940 /nfs/dbraw/zinc/18/09/40/198180940.db2.gz IJMJZORHIPFDST-UHFFFAOYSA-N 1 0 320.393 1.632 20 5 DDBDRO CN(C)C(=O)CC[NH+]1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000065968931 352971999 /nfs/dbraw/zinc/97/19/99/352971999.db2.gz SKOLQPCNOFHLKE-UHFFFAOYSA-N 1 0 320.393 1.191 20 5 DDBDRO CCOc1ccc(C(=O)NCC[N@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000067701578 353062821 /nfs/dbraw/zinc/06/28/21/353062821.db2.gz VGFYDVHDNLNHNF-UHFFFAOYSA-N 1 0 307.350 1.818 20 5 DDBDRO C[N@@H+]1CCC[C@@H](NC(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000073811940 353272191 /nfs/dbraw/zinc/27/21/91/353272191.db2.gz FOAUTBUMBSDAAO-CYBMUJFWSA-N 1 0 306.366 1.531 20 5 DDBDRO COC1CCC([N@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000075745690 353379259 /nfs/dbraw/zinc/37/92/59/353379259.db2.gz ZJKLBYUIHKCOJJ-HRDQMINSSA-N 1 0 312.370 1.042 20 5 DDBDRO C[N@H+](CCc1ccc(F)cc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174749014 198379612 /nfs/dbraw/zinc/37/96/12/198379612.db2.gz JHDNCOZFFNPRIG-OAHLLOKOSA-N 1 0 322.340 1.466 20 5 DDBDRO COCCC[N@@H+]1CCCN(c2ncc([N+](=O)[O-])cc2C)CC1 ZINC000078302278 353509682 /nfs/dbraw/zinc/50/96/82/353509682.db2.gz LFRCCINQMLIDDX-UHFFFAOYSA-N 1 0 308.382 1.847 20 5 DDBDRO [NH3+]C1(CO)CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC000092654463 353865757 /nfs/dbraw/zinc/86/57/57/353865757.db2.gz JLZFUWRPMISUGL-UHFFFAOYSA-N 1 0 317.292 1.486 20 5 DDBDRO CCOC(=O)C1(C)CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000092823362 353870860 /nfs/dbraw/zinc/87/08/60/353870860.db2.gz IPWWABZFDSIPLR-UHFFFAOYSA-N 1 0 310.354 1.457 20 5 DDBDRO O=C(CNc1ccccc1[N+](=O)[O-])N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000108307521 353950455 /nfs/dbraw/zinc/95/04/55/353950455.db2.gz FXEWKQXZKNJNNV-CYBMUJFWSA-N 1 0 318.377 1.607 20 5 DDBDRO COc1ccc(C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000142316975 354143918 /nfs/dbraw/zinc/14/39/18/354143918.db2.gz NYYKIZHHPZHLTE-CYBMUJFWSA-N 1 0 319.361 1.914 20 5 DDBDRO [NH3+][C@H]1CCC[C@@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000275497649 354412456 /nfs/dbraw/zinc/41/24/56/354412456.db2.gz BQENQROCUHWBCN-NWDGAFQWSA-N 1 0 307.350 1.750 20 5 DDBDRO CNC(=O)[C@]1(C)CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000281125847 354425811 /nfs/dbraw/zinc/42/58/11/354425811.db2.gz OAKVACLIVUTCRL-MRXNPFEDSA-N 1 0 321.377 1.822 20 5 DDBDRO NC(=O)c1ccc(C[N@@H+]2CCCCC[C@H]2CO)c([N+](=O)[O-])c1 ZINC000317434370 354511109 /nfs/dbraw/zinc/51/11/09/354511109.db2.gz WTINYFNJTKCINS-ZDUSSCGKSA-N 1 0 307.350 1.431 20 5 DDBDRO COC[C@H](C)OC[C@H](O)C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000319763482 354523266 /nfs/dbraw/zinc/52/32/66/354523266.db2.gz QJOPVSBWLQNYOX-SMDDNHRTSA-N 1 0 312.366 1.405 20 5 DDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000320173285 354525455 /nfs/dbraw/zinc/52/54/55/354525455.db2.gz XRTVUDXNOBVYRO-RKDXNWHRSA-N 1 0 301.368 1.307 20 5 DDBDRO C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])n2C)C[C@@H](C)C1 ZINC000346231306 283035087 /nfs/dbraw/zinc/03/50/87/283035087.db2.gz OBROETMBQSTOQC-SGMGOOAPSA-N 1 0 320.393 1.736 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC000403826586 354670637 /nfs/dbraw/zinc/67/06/37/354670637.db2.gz CGDNGOOHPKBLNL-SNVBAGLBSA-N 1 0 304.297 1.049 20 5 DDBDRO CCO[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2C)C[C@H]1C[NH3+] ZINC000405351983 354678570 /nfs/dbraw/zinc/67/85/70/354678570.db2.gz VHZYCMSOVVLMRI-BXUZGUMPSA-N 1 0 307.350 1.339 20 5 DDBDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000272322418 209712862 /nfs/dbraw/zinc/71/28/62/209712862.db2.gz UFHNIGDFGWXXFR-NWDGAFQWSA-N 1 0 307.350 1.559 20 5 DDBDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]CCCOc1ccc([N+](=O)[O-])cc1 ZINC000585816773 354853607 /nfs/dbraw/zinc/85/36/07/354853607.db2.gz FQUODIMFSXFVFH-CABCVRRESA-N 1 0 321.377 1.868 20 5 DDBDRO C[N@H+](CCCCS(C)(=O)=O)CCc1ccccc1[N+](=O)[O-] ZINC000586773500 354863553 /nfs/dbraw/zinc/86/35/53/354863553.db2.gz NOBYUVYXMXFNIH-UHFFFAOYSA-N 1 0 314.407 1.894 20 5 DDBDRO C[N@@H+]1CCC[C@@H]2CN(c3cc(N)c([N+](=O)[O-])c(CO)c3)CC[C@@H]21 ZINC000588001106 354891735 /nfs/dbraw/zinc/89/17/35/354891735.db2.gz ONQNTEZXBNMFNE-ABAIWWIYSA-N 1 0 320.393 1.590 20 5 DDBDRO Cc1c(CC(=O)N[C@H](CO)C[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000588868898 354944463 /nfs/dbraw/zinc/94/44/63/354944463.db2.gz HTDITXPYTLHYCM-AWEZNQCLSA-N 1 0 321.377 1.019 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(CN2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000589504373 354997593 /nfs/dbraw/zinc/99/75/93/354997593.db2.gz SDQKWBGNRMVKAF-BETUJISGSA-N 1 0 305.334 1.033 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@H]([C@H](C)O)C2)c1 ZINC000589510899 354997943 /nfs/dbraw/zinc/99/79/43/354997943.db2.gz UNJXPNISUIDLIX-JQWIXIFHSA-N 1 0 308.334 1.584 20 5 DDBDRO COc1c(C(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)cccc1[N+](=O)[O-] ZINC000590447658 355099070 /nfs/dbraw/zinc/09/90/70/355099070.db2.gz ZRENJKZSRAHWEG-GXFFZTMASA-N 1 0 305.334 1.380 20 5 DDBDRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000590446553 355099856 /nfs/dbraw/zinc/09/98/56/355099856.db2.gz UJAAVCQKXDYSIK-WFASDCNBSA-N 1 0 318.377 1.559 20 5 DDBDRO COc1ccc(C(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000590776644 355176522 /nfs/dbraw/zinc/17/65/22/355176522.db2.gz LHUHAGPYUWGOCP-WCQYABFASA-N 1 0 305.334 1.380 20 5 DDBDRO COc1cc(CNC[C@@H]2C[C@H](F)C[NH2+]2)c([N+](=O)[O-])cc1OC ZINC000591281852 355278065 /nfs/dbraw/zinc/27/80/65/355278065.db2.gz OYLKXGCIODJKMD-QWRGUYRKSA-N 1 0 313.329 1.402 20 5 DDBDRO O=[N+]([O-])c1cc2c(cc1CNCCC[NH2+]C1CC1)OCCO2 ZINC000591283021 355278071 /nfs/dbraw/zinc/27/80/71/355278071.db2.gz PEFVGSWIPNKVJH-UHFFFAOYSA-N 1 0 307.350 1.598 20 5 DDBDRO C[C@@H]1CCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@@H]1C[NH3+] ZINC000591284733 355278367 /nfs/dbraw/zinc/27/83/67/355278367.db2.gz CMEHVFOSQNUROC-YPMHNXCESA-N 1 0 321.377 1.783 20 5 DDBDRO COc1ccc(NC(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)cc1[N+](=O)[O-] ZINC000591297639 355283445 /nfs/dbraw/zinc/28/34/45/355283445.db2.gz RUQBYLSJDMHMNL-ZYHUDNBSSA-N 1 0 320.349 1.819 20 5 DDBDRO CCC[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccn1 ZINC000591734509 355374744 /nfs/dbraw/zinc/37/47/44/355374744.db2.gz IJWMIWFACWXQJW-UONOGXRCSA-N 1 0 319.365 1.678 20 5 DDBDRO C[C@H]([NH3+])[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000592309475 355557156 /nfs/dbraw/zinc/55/71/56/355557156.db2.gz RCTXGXZUIJONHU-QPUJVOFHSA-N 1 0 313.741 1.436 20 5 DDBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000592393990 355574129 /nfs/dbraw/zinc/57/41/29/355574129.db2.gz LZIHODHDJQGQQE-RKDXNWHRSA-N 1 0 317.367 1.008 20 5 DDBDRO CC[C@H]1CN(C(=O)CCOc2ccccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000592545188 355623357 /nfs/dbraw/zinc/62/33/57/355623357.db2.gz PACJHZXTPJRFOJ-STQMWFEESA-N 1 0 321.377 1.950 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@@H](CO)[C@H]2C)c1 ZINC000593036810 355776430 /nfs/dbraw/zinc/77/64/30/355776430.db2.gz UMKDYIOVSVHPBY-YPMHNXCESA-N 1 0 322.361 1.974 20 5 DDBDRO CC[C@@H]1C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H](CC)CO1 ZINC000593060283 355783784 /nfs/dbraw/zinc/78/37/84/355783784.db2.gz ZYKUJZVPGOESJM-KWCYVHTRSA-N 1 0 312.370 1.042 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1[C@H](C)C[N@H+](C)[C@H](C)[C@H]1C ZINC000593187607 355819853 /nfs/dbraw/zinc/81/98/53/355819853.db2.gz MKHPHXODYNUZKI-YUSALJHKSA-N 1 0 306.366 1.851 20 5 DDBDRO Cn1cncc1CS(=O)(=O)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000593203286 355823210 /nfs/dbraw/zinc/82/32/10/355823210.db2.gz KHMADWBWMGWTKZ-UHFFFAOYSA-N 1 0 311.319 1.149 20 5 DDBDRO C[C@@H](O)C[NH+]1CCN(c2ccnc3cc([N+](=O)[O-])ccc32)CC1 ZINC000593462675 355893272 /nfs/dbraw/zinc/89/32/72/355893272.db2.gz YPOPSIQSWABIBT-GFCCVEGCSA-N 1 0 316.361 1.646 20 5 DDBDRO CCN1C[C@@H](C[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)CC1=O ZINC000593685882 355966563 /nfs/dbraw/zinc/96/65/63/355966563.db2.gz GEILNMOOMNRSNJ-GFCCVEGCSA-N 1 0 307.350 1.561 20 5 DDBDRO CN(C(=O)C[N@@H+]1CCCCC[C@@H]1CO)c1ccc([N+](=O)[O-])cc1 ZINC000594016622 356089661 /nfs/dbraw/zinc/08/96/61/356089661.db2.gz ANVXTVLFXQWGQQ-OAHLLOKOSA-N 1 0 321.377 1.795 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)n1 ZINC000594198107 356136987 /nfs/dbraw/zinc/13/69/87/356136987.db2.gz RXLMSIDMLHIFIY-RYUDHWBXSA-N 1 0 321.381 1.558 20 5 DDBDRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000594216123 356141683 /nfs/dbraw/zinc/14/16/83/356141683.db2.gz IHXWHNGVTGKEMY-OTVXOJSOSA-N 1 0 320.393 1.777 20 5 DDBDRO COc1ccc(CNC(=O)[C@H]2C[C@@]23CCC[NH2+]C3)cc1[N+](=O)[O-] ZINC000594431974 356210791 /nfs/dbraw/zinc/21/07/91/356210791.db2.gz UHIJWFXFAPKDOU-MLGOLLRUSA-N 1 0 319.361 1.609 20 5 DDBDRO CN(CC(=O)N[C@@H](C[NH3+])C(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000594450511 356220944 /nfs/dbraw/zinc/22/09/44/356220944.db2.gz AKIHYYHSLCAYIS-JTQLQIEISA-N 1 0 320.271 1.037 20 5 DDBDRO CNc1c(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)cccc1[N+](=O)[O-] ZINC000594403124 356198533 /nfs/dbraw/zinc/19/85/33/356198533.db2.gz LMZPIPSEGGTMKR-PHIMTYICSA-N 1 0 306.366 1.707 20 5 DDBDRO NC(=O)c1cc([N+](=O)[O-])cnc1N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594600573 356261210 /nfs/dbraw/zinc/26/12/10/356261210.db2.gz MFEFLQSWRUFQBP-STQMWFEESA-N 1 0 319.365 1.518 20 5 DDBDRO O=[N+]([O-])c1ccccc1/C=C\CN1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000594614695 356267160 /nfs/dbraw/zinc/26/71/60/356267160.db2.gz ZAISAYMHTCYTDF-QWZUFBECSA-N 1 0 303.362 1.359 20 5 DDBDRO O=[N+]([O-])c1ccccc1OCc1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000594655764 356276988 /nfs/dbraw/zinc/27/69/88/356276988.db2.gz KUCSFIUHDDSVJY-LBPRGKRZSA-N 1 0 303.322 1.690 20 5 DDBDRO CCC[N@@H+]1CC[C@@H](NCc2cc(OC)c(O)cc2[N+](=O)[O-])C1 ZINC000594992767 356370262 /nfs/dbraw/zinc/37/02/62/356370262.db2.gz XHGCQIRFAUDSJY-GFCCVEGCSA-N 1 0 309.366 1.883 20 5 DDBDRO CC[C@@H](CO)[NH+]1CCN(Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595327772 356450273 /nfs/dbraw/zinc/45/02/73/356450273.db2.gz UDZKWSCLNCCPGP-AWEZNQCLSA-N 1 0 311.357 1.622 20 5 DDBDRO COC[C@@H](C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1)OC ZINC000595289992 356434839 /nfs/dbraw/zinc/43/48/39/356434839.db2.gz GSOSQSBCAKOLTE-CYBMUJFWSA-N 1 0 309.366 1.378 20 5 DDBDRO CC(=O)N1CC([NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000565215658 304054189 /nfs/dbraw/zinc/05/41/89/304054189.db2.gz CCKCOOOJLALNAD-JTQLQIEISA-N 1 0 320.349 1.132 20 5 DDBDRO CC(C)C[C@H](C[NH3+])NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000236837179 202032802 /nfs/dbraw/zinc/03/28/02/202032802.db2.gz PYHPENBFDURIRC-GFCCVEGCSA-N 1 0 308.382 1.886 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@H](CO)C1CCC1 ZINC000595617467 356578760 /nfs/dbraw/zinc/57/87/60/356578760.db2.gz UGGMJDXZIGNABO-QWHCGFSZSA-N 1 0 310.350 1.085 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1-c1noc(CC2CC[NH+](C)CC2)n1 ZINC000347129255 283188330 /nfs/dbraw/zinc/18/83/30/283188330.db2.gz ZZPVKSZSRMCKTK-UHFFFAOYSA-N 1 0 306.326 1.263 20 5 DDBDRO Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+]CCn2cc([N+](=O)[O-])cn2)cn1 ZINC000595771529 356646117 /nfs/dbraw/zinc/64/61/17/356646117.db2.gz QAIJCICMGBXZDJ-ZFWWWQNUSA-N 1 0 318.381 1.526 20 5 DDBDRO C[C@]12COC[C@@H]1C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC000595759872 356640509 /nfs/dbraw/zinc/64/05/09/356640509.db2.gz QLCVJRQXWFAFMZ-LRDDRELGSA-N 1 0 319.361 1.892 20 5 DDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000595836632 356671090 /nfs/dbraw/zinc/67/10/90/356671090.db2.gz XOVZGFKYJLBIMI-AGIUHOORSA-N 1 0 319.361 1.890 20 5 DDBDRO COc1ccc(OCC[N@@H+]2CC[C@H]3COC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000595826501 356665985 /nfs/dbraw/zinc/66/59/85/356665985.db2.gz ABFDGELDKBEDBR-STQMWFEESA-N 1 0 322.361 1.951 20 5 DDBDRO CC(C)(C(=O)NCC12CC(C1)C[NH2+]2)c1ccc([N+](=O)[O-])cc1 ZINC000595951313 356719956 /nfs/dbraw/zinc/71/99/56/356719956.db2.gz PPEKQIVXTDRGOP-UHFFFAOYSA-N 1 0 303.362 1.741 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC2CC1(C[NH3+])C2 ZINC000595966996 356727745 /nfs/dbraw/zinc/72/77/45/356727745.db2.gz VLJVEFGFQPJLOQ-UHFFFAOYSA-N 1 0 305.334 1.557 20 5 DDBDRO C[NH2+]C[C@H](C)NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000595982640 356735196 /nfs/dbraw/zinc/73/51/96/356735196.db2.gz KSHDTANRXWJNBH-ZETCQYMHSA-N 1 0 305.256 1.951 20 5 DDBDRO C[C@@H]1C[N@@H+](CCCCNc2cc[nH]c(=O)c2[N+](=O)[O-])C[C@H](C)O1 ZINC000596155341 356794470 /nfs/dbraw/zinc/79/44/70/356794470.db2.gz ICEKCOSRLGJTEK-TXEJJXNPSA-N 1 0 324.381 1.997 20 5 DDBDRO CC[N@@H+]1CCCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)[C@H](C)C1 ZINC000596268231 356838954 /nfs/dbraw/zinc/83/89/54/356838954.db2.gz GPYDAPKCOKBKQT-LLVKDONJSA-N 1 0 306.366 1.614 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000596537853 356910411 /nfs/dbraw/zinc/91/04/11/356910411.db2.gz INFITWAPNXWMAR-CYBMUJFWSA-N 1 0 321.377 1.639 20 5 DDBDRO COC(=O)COc1ccc(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000597223812 357100212 /nfs/dbraw/zinc/10/02/12/357100212.db2.gz UBBHKKQLORKJOJ-CHWSQXEVSA-N 1 0 320.345 1.988 20 5 DDBDRO COc1c(C(=O)NCC23CCC[NH+]2CCC3)cccc1[N+](=O)[O-] ZINC000597588803 357240267 /nfs/dbraw/zinc/24/02/67/357240267.db2.gz PIRVRUJPDMBCTO-UHFFFAOYSA-N 1 0 319.361 1.962 20 5 DDBDRO CCCc1n[nH]c(C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000597921534 357382254 /nfs/dbraw/zinc/38/22/54/357382254.db2.gz GUQYPEPFMXZTSX-SNVBAGLBSA-N 1 0 323.397 1.873 20 5 DDBDRO CCN(C(=O)COc1ccc([N+](=O)[O-])c(C)c1)[C@H]1CC[N@H+](C)C1 ZINC000597947399 357394892 /nfs/dbraw/zinc/39/48/92/357394892.db2.gz XQZPROCXQQEQKG-ZDUSSCGKSA-N 1 0 321.377 1.835 20 5 DDBDRO COC(=O)c1ccnc(NC[C@H]2CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000598594799 357645730 /nfs/dbraw/zinc/64/57/30/357645730.db2.gz CSUMCRDCUQZKIP-SNVBAGLBSA-N 1 0 308.338 1.530 20 5 DDBDRO COC(=O)c1ccnc(NCC23CCC[NH+]2CCC3)c1[N+](=O)[O-] ZINC000598620466 357657445 /nfs/dbraw/zinc/65/74/45/357657445.db2.gz AUINVANDQRAGDK-UHFFFAOYSA-N 1 0 320.349 1.817 20 5 DDBDRO CC(C)[C@@H]1CN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC[NH2+]1 ZINC000598572852 357636997 /nfs/dbraw/zinc/63/69/97/357636997.db2.gz LUAXPXPLEUJQSC-ZDUSSCGKSA-N 1 0 317.349 1.541 20 5 DDBDRO Cc1ccc(S(=O)(=O)N[C@@H](C)C[C@H](C)[NH3+])c(C)c1[N+](=O)[O-] ZINC000598714704 357700953 /nfs/dbraw/zinc/70/09/53/357700953.db2.gz JAEIHTSEUTXNLN-UWVGGRQHSA-N 1 0 315.395 1.616 20 5 DDBDRO [NH3+][C@]12CCC[C@H]1CN(S(=O)(=O)c1ccccc1[N+](=O)[O-])C2 ZINC000598717994 357702101 /nfs/dbraw/zinc/70/21/01/357702101.db2.gz BAGUYQSXIVSKRY-GWCFXTLKSA-N 1 0 311.363 1.097 20 5 DDBDRO [NH3+][C@@]12CCC[C@H]1CN(Cc1cc3c(cc1[N+](=O)[O-])OCCO3)C2 ZINC000598720390 357703201 /nfs/dbraw/zinc/70/32/01/357703201.db2.gz QHYISLDVXVRTQH-BLLLJJGKSA-N 1 0 319.361 1.679 20 5 DDBDRO [NH3+][C@]12CCC[C@H]1CN(Cc1cc3c(cc1[N+](=O)[O-])OCCO3)C2 ZINC000598720391 357703463 /nfs/dbraw/zinc/70/34/63/357703463.db2.gz QHYISLDVXVRTQH-LRDDRELGSA-N 1 0 319.361 1.679 20 5 DDBDRO NC(=O)N1CCCN(c2ccc3cnccc3c2[N+](=O)[O-])CC1 ZINC000599038425 357799587 /nfs/dbraw/zinc/79/95/87/357799587.db2.gz QKEITEHYUXCMIM-UHFFFAOYSA-N 1 0 315.333 1.734 20 5 DDBDRO CC1([NH+]2CCOCC2)CCN(c2ncc([N+](=O)[O-])cc2F)CC1 ZINC000599160594 357833164 /nfs/dbraw/zinc/83/31/64/357833164.db2.gz NOCWNIMEAAHKCZ-UHFFFAOYSA-N 1 0 324.356 1.820 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCCC(F)(F)CC2)c1 ZINC000599552236 357970740 /nfs/dbraw/zinc/97/07/40/357970740.db2.gz YRRQYGYJTZSDGV-NSHDSACASA-N 1 0 304.297 1.273 20 5 DDBDRO CN(C(=O)COc1ccccc1[N+](=O)[O-])[C@H]1C[NH+]2CCC1CC2 ZINC000347964514 283307645 /nfs/dbraw/zinc/30/76/45/283307645.db2.gz ZUKWCYMJPSLOKS-AWEZNQCLSA-N 1 0 319.361 1.526 20 5 DDBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000599624097 357996357 /nfs/dbraw/zinc/99/63/57/357996357.db2.gz PFTKEMMCNOAEOF-WQVCFCJDSA-N 1 0 308.378 1.969 20 5 DDBDRO COC(=O)[C@@](C)(NC[C@H]1CCC[N@@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000599648755 358007044 /nfs/dbraw/zinc/00/70/44/358007044.db2.gz FAWVWPIHGPCJBM-ZBFHGGJFSA-N 1 0 321.377 1.667 20 5 DDBDRO C[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1CCOCC1 ZINC000179858659 199089069 /nfs/dbraw/zinc/08/90/69/199089069.db2.gz QSEBYFDSWOLZII-SWLSCSKDSA-N 1 0 324.377 1.739 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000599992215 358098775 /nfs/dbraw/zinc/09/87/75/358098775.db2.gz UHPMZBRAFJARNU-IMRBUKKESA-N 1 0 305.334 1.235 20 5 DDBDRO CNc1ccc(C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1[N+](=O)[O-] ZINC000565537356 304074504 /nfs/dbraw/zinc/07/45/04/304074504.db2.gz DSAUUKPVUXGESV-AVGNSLFASA-N 1 0 318.377 1.836 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](CO)C(C)C ZINC000180612489 199185371 /nfs/dbraw/zinc/18/53/71/199185371.db2.gz AAPDNUOSXXJLMV-CQSZACIVSA-N 1 0 309.366 1.838 20 5 DDBDRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])C1 ZINC000237412482 202258176 /nfs/dbraw/zinc/25/81/76/202258176.db2.gz AQTLLDULLZMUIF-STQMWFEESA-N 1 0 320.393 1.617 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CC(C2CCC2)C2CCC2)c1 ZINC000600742221 358303959 /nfs/dbraw/zinc/30/39/59/358303959.db2.gz BOKKOTCKLYJIEB-OAHLLOKOSA-N 1 0 322.409 1.958 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000600759498 358309778 /nfs/dbraw/zinc/30/97/78/358309778.db2.gz ZNVKKOGIDTZNNF-ZENOOKHLSA-N 1 0 322.361 1.492 20 5 DDBDRO CN1CC[N@H+](C)C[C@@H]1CNc1ccnc2ccc([N+](=O)[O-])cc21 ZINC000601116404 358409372 /nfs/dbraw/zinc/40/93/72/358409372.db2.gz SXOJPSDBCXLYHD-ZDUSSCGKSA-N 1 0 315.377 1.223 20 5 DDBDRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601045061 358392337 /nfs/dbraw/zinc/39/23/37/358392337.db2.gz RZGFSBMFPSNWQF-NSHDSACASA-N 1 0 324.356 1.100 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000601560418 358601236 /nfs/dbraw/zinc/60/12/36/358601236.db2.gz XGXAVAXARWKRDU-STQMWFEESA-N 1 0 321.381 1.090 20 5 DDBDRO COc1ccc(C(=O)N2CCC[C@@H]3C[NH2+]CC[C@@H]32)cc1[N+](=O)[O-] ZINC000601556444 358599414 /nfs/dbraw/zinc/59/94/14/358599414.db2.gz LPLLYIOMIFOUHY-OLZOCXBDSA-N 1 0 319.361 1.818 20 5 DDBDRO [NH3+]C[C@@H]1CCN(CCn2ccc([N+](=O)[O-])n2)c2ccccc21 ZINC000601963833 358755879 /nfs/dbraw/zinc/75/58/79/358755879.db2.gz NWBPITZADBRRMO-LBPRGKRZSA-N 1 0 301.350 1.744 20 5 DDBDRO [NH3+]C1CCN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CC1 ZINC000602421500 358966042 /nfs/dbraw/zinc/96/60/42/358966042.db2.gz MCKOKVRMCRWVTJ-UHFFFAOYSA-N 1 0 303.362 1.966 20 5 DDBDRO CO[C@@](C)(C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C1CC1 ZINC000602440495 358978119 /nfs/dbraw/zinc/97/81/19/358978119.db2.gz USXDSKUTIPQBHS-INIZCTEOSA-N 1 0 320.393 1.927 20 5 DDBDRO CCN(CC[NH3+])C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000602534181 359032204 /nfs/dbraw/zinc/03/22/04/359032204.db2.gz GNXYLKYLVQACDW-UHFFFAOYSA-N 1 0 315.757 1.824 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H](OC)[C@H]1CCOC1 ZINC000602547148 359038648 /nfs/dbraw/zinc/03/86/48/359038648.db2.gz AIYXGUUQWJEITO-XHDPSFHLSA-N 1 0 310.350 1.745 20 5 DDBDRO C[NH2+]CCOCCNC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC000602568145 359047904 /nfs/dbraw/zinc/04/79/04/359047904.db2.gz XWMWGJNHJNZJIE-UHFFFAOYSA-N 1 0 309.366 1.486 20 5 DDBDRO CC(C)(O)C[NH+]1CCC(NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000602585652 359057068 /nfs/dbraw/zinc/05/70/68/359057068.db2.gz HVSUQNIZJHCWMZ-UHFFFAOYSA-N 1 0 307.394 1.920 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(N2CCCC2=O)CC1 ZINC000602772152 359179127 /nfs/dbraw/zinc/17/91/27/359179127.db2.gz KEFSVICYQFVOKD-UHFFFAOYSA-N 1 0 321.381 1.187 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@H](n2ccnc2)C1 ZINC000602771581 359179627 /nfs/dbraw/zinc/17/96/27/359179627.db2.gz FLFZTIUSGSAYHZ-ZDUSSCGKSA-N 1 0 304.354 1.633 20 5 DDBDRO COC[C@@H](CC[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)OC ZINC000602707395 359138753 /nfs/dbraw/zinc/13/87/53/359138753.db2.gz VIYORWHPYIGTRZ-LLVKDONJSA-N 1 0 309.322 1.877 20 5 DDBDRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000237425081 202262451 /nfs/dbraw/zinc/26/24/51/202262451.db2.gz DRQASLYYPDXUGT-FZMZJTMJSA-N 1 0 307.350 1.702 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CCN1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000602840560 359230055 /nfs/dbraw/zinc/23/00/55/359230055.db2.gz NUEJYOOMXWADMU-ZDUSSCGKSA-N 1 0 321.425 1.906 20 5 DDBDRO COc1ccc(C[N@H+](C)CCn2c(C)ncc2[N+](=O)[O-])cn1 ZINC000602799672 359200843 /nfs/dbraw/zinc/20/08/43/359200843.db2.gz KVEIDWKVRUOEOK-UHFFFAOYSA-N 1 0 305.338 1.635 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CCN1CC[N@@H+](C2CC2)C[C@@H](C)C1 ZINC000602832479 359223719 /nfs/dbraw/zinc/22/37/19/359223719.db2.gz NEGSTRTVKCJHQI-LBPRGKRZSA-N 1 0 307.398 1.516 20 5 DDBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@H]1CCc2ncnn21 ZINC000602832338 359223860 /nfs/dbraw/zinc/22/38/60/359223860.db2.gz UPMLFLLCGUVUBB-CYBMUJFWSA-N 1 0 301.350 1.848 20 5 DDBDRO CC(=O)NC[C@H]1CCCC[N@@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602915329 359291306 /nfs/dbraw/zinc/29/13/06/359291306.db2.gz BAGAUWUFJGUZHV-CYBMUJFWSA-N 1 0 309.370 1.090 20 5 DDBDRO COc1ccc(CN2CCC[C@@](O)(C[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000602889844 359273626 /nfs/dbraw/zinc/27/36/26/359273626.db2.gz DZJSJRJQIUALNZ-MRXNPFEDSA-N 1 0 323.393 1.492 20 5 DDBDRO Cc1cncc([N+](=O)[O-])c1NC(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000602961062 359323850 /nfs/dbraw/zinc/32/38/50/359323850.db2.gz UERXMIWYHKNGKM-WCQYABFASA-N 1 0 319.365 1.278 20 5 DDBDRO C[C@](CO)([NH2+]CCOC1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000602963049 359326408 /nfs/dbraw/zinc/32/64/08/359326408.db2.gz SDZRJPAECPMXTD-MRXNPFEDSA-N 1 0 324.377 1.588 20 5 DDBDRO C[NH+](C)CCc1cn(Cc2c(F)cc([N+](=O)[O-])cc2F)nn1 ZINC000603248736 359513957 /nfs/dbraw/zinc/51/39/57/359513957.db2.gz SNOLNERSPRVTDB-UHFFFAOYSA-N 1 0 311.292 1.617 20 5 DDBDRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000186848853 200022153 /nfs/dbraw/zinc/02/21/53/200022153.db2.gz UCLIUAABAZTJSR-RYUDHWBXSA-N 1 0 306.366 1.145 20 5 DDBDRO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000604264293 359730697 /nfs/dbraw/zinc/73/06/97/359730697.db2.gz CWNNYIHMUXOFPA-GFCCVEGCSA-N 1 0 322.365 1.250 20 5 DDBDRO CN(C)C(=O)CCC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000565752280 304088354 /nfs/dbraw/zinc/08/83/54/304088354.db2.gz FUYFGGVCLSMMMQ-UHFFFAOYSA-N 1 0 320.393 1.585 20 5 DDBDRO C[C@@](C[NH3+])(NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C1CC1 ZINC000237637995 202314723 /nfs/dbraw/zinc/31/47/23/202314723.db2.gz RAMIPFMQZZJQES-ZDUSSCGKSA-N 1 0 308.294 1.360 20 5 DDBDRO [NH3+]C[C@H]1CCC[C@H]1NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000237820776 202362510 /nfs/dbraw/zinc/36/25/10/202362510.db2.gz WNIJAWSUACVMAJ-ZWNOBZJWSA-N 1 0 309.391 1.931 20 5 DDBDRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000237978839 202412165 /nfs/dbraw/zinc/41/21/65/202412165.db2.gz JMDNTGCSAVTJCD-NEPJUHHUSA-N 1 0 307.350 1.607 20 5 DDBDRO CCN(CCC[NH+](C)C)C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000188953056 200326838 /nfs/dbraw/zinc/32/68/38/200326838.db2.gz DXLZEMBQRJQWQX-UHFFFAOYSA-N 1 0 323.349 1.737 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[NH+](C[C@H](C)O)CC1 ZINC000189315028 200380678 /nfs/dbraw/zinc/38/06/78/200380678.db2.gz PHXGZZDDMLEMLS-KBPBESRZSA-N 1 0 307.394 1.963 20 5 DDBDRO NC(=O)[C@H]1CCCC[C@@H]1[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000189454801 200404989 /nfs/dbraw/zinc/40/49/89/200404989.db2.gz CUALEYQIDVVIIV-IHRRRGAJSA-N 1 0 307.350 1.262 20 5 DDBDRO CN(c1ccc([N+](=O)[O-])nc1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000609802290 360352554 /nfs/dbraw/zinc/35/25/54/360352554.db2.gz OOVLWEGXVVHWIF-HNNXBMFYSA-N 1 0 319.409 1.595 20 5 DDBDRO CC[N@@H+]1CCN(C(=O)CCn2nc(C)c([N+](=O)[O-])c2C)C[C@H]1C ZINC000611087776 360618642 /nfs/dbraw/zinc/61/86/42/360618642.db2.gz JIFXFADPXQIQHW-LLVKDONJSA-N 1 0 323.397 1.351 20 5 DDBDRO CC[N@@H+]1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000611088456 360620024 /nfs/dbraw/zinc/62/00/24/360620024.db2.gz XEOSHALHXKIYFU-GFCCVEGCSA-N 1 0 306.366 1.559 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[NH+](CC(C)(C)O)CC2)n1 ZINC000611616338 360777272 /nfs/dbraw/zinc/77/72/72/360777272.db2.gz XCAQMZJKKHMLSP-UHFFFAOYSA-N 1 0 308.382 1.500 20 5 DDBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H](CCO)C2CCOCC2)cc1 ZINC000613130253 361282379 /nfs/dbraw/zinc/28/23/79/361282379.db2.gz KIDGGPNKFHBOOH-INIZCTEOSA-N 1 0 308.378 1.905 20 5 DDBDRO Cc1cc(C)c(S(=O)(=O)N2CC[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000193251220 201012848 /nfs/dbraw/zinc/01/28/48/201012848.db2.gz ZHLMUTCVFMFMCX-NSHDSACASA-N 1 0 313.379 1.181 20 5 DDBDRO C[NH2+][C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000193328233 201030780 /nfs/dbraw/zinc/03/07/80/201030780.db2.gz HBFSMACANAHQOZ-LLVKDONJSA-N 1 0 313.379 1.276 20 5 DDBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2c2cc(N)c([N+](=O)[O-])c(CO)c2)C1 ZINC000618898197 363787862 /nfs/dbraw/zinc/78/78/62/363787862.db2.gz ZYFLWGBOGOPOMC-XHDPSFHLSA-N 1 0 320.393 1.590 20 5 DDBDRO COc1ccc(OCC[NH2+][C@H]2C(=O)NCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000193634080 201091048 /nfs/dbraw/zinc/09/10/48/201091048.db2.gz JHHADVMOVSGLBB-QMTHXVAHSA-N 1 0 323.349 1.096 20 5 DDBDRO CC(C)(C)CC[NH+]1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC000618929644 363807498 /nfs/dbraw/zinc/80/74/98/363807498.db2.gz GRAMZULVFWEGRD-UHFFFAOYSA-N 1 0 309.370 1.512 20 5 DDBDRO C[C@@](O)(CO)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000619464240 364023919 /nfs/dbraw/zinc/02/39/19/364023919.db2.gz DBNVQFHIOFUAOG-HNNXBMFYSA-N 1 0 306.318 1.688 20 5 DDBDRO C[C@H]([NH2+]C[C@@H]1CC[C@H](C(=O)N(C)C)O1)c1ccc([N+](=O)[O-])cc1 ZINC000091553282 193072536 /nfs/dbraw/zinc/07/25/36/193072536.db2.gz JBWRYHYPIMMCSQ-TUKIKUTGSA-N 1 0 321.377 1.881 20 5 DDBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000566192096 304127054 /nfs/dbraw/zinc/12/70/54/304127054.db2.gz IDBPCMNFOHNLMR-GHMZBOCLSA-N 1 0 322.365 1.493 20 5 DDBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000349898036 284099022 /nfs/dbraw/zinc/09/90/22/284099022.db2.gz RWENRSGTFMYDGE-VXGBXAGGSA-N 1 0 323.397 1.806 20 5 DDBDRO O=C(Cn1ccc([N+](=O)[O-])n1)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000261760486 203111904 /nfs/dbraw/zinc/11/19/04/203111904.db2.gz QEBQPGPWZCNXCE-UHFFFAOYSA-N 1 0 319.296 1.215 20 5 DDBDRO COc1cc(C(=O)N[C@H]2CC[NH2+][C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000261893982 203145670 /nfs/dbraw/zinc/14/56/70/203145670.db2.gz OBVWOAAQFSQUNP-UWVGGRQHSA-N 1 0 323.349 1.482 20 5 DDBDRO COc1cc(C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000262555908 203328977 /nfs/dbraw/zinc/32/89/77/203328977.db2.gz UFGUTOWYSAHHTR-NWDGAFQWSA-N 1 0 305.334 1.285 20 5 DDBDRO CN(CCCN1CC[NH+](C)CC1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000264603317 204021858 /nfs/dbraw/zinc/02/18/58/204021858.db2.gz FIKOJISBOZOGFU-UHFFFAOYSA-N 1 0 320.393 1.304 20 5 DDBDRO C[N@@H+]1CC[C@H](CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000264697666 204086382 /nfs/dbraw/zinc/08/63/82/204086382.db2.gz SQUZSEYDZLHAHP-SNVBAGLBSA-N 1 0 302.334 1.758 20 5 DDBDRO C[C@H](O)C1CC[NH+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000264731295 204112238 /nfs/dbraw/zinc/11/22/38/204112238.db2.gz POJNKIGCSORZQE-SWLSCSKDSA-N 1 0 324.377 1.427 20 5 DDBDRO NC(=O)c1ccc(CN2CC[NH+](C3CCC3)CC2)c([N+](=O)[O-])c1 ZINC000265090660 204390599 /nfs/dbraw/zinc/39/05/99/204390599.db2.gz AFLXSACHURVEJR-UHFFFAOYSA-N 1 0 318.377 1.364 20 5 DDBDRO CC[NH+](CC)C[C@H]1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000266205949 205180749 /nfs/dbraw/zinc/18/07/49/205180749.db2.gz LCGIITWXWAQYFY-LLVKDONJSA-N 1 0 321.381 1.257 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[N@H+](C)CC1 ZINC000020514937 182226205 /nfs/dbraw/zinc/22/62/05/182226205.db2.gz ODENRIVYUJSRCB-UHFFFAOYSA-N 1 0 308.338 1.773 20 5 DDBDRO Cc1nn(C)c(C(=O)NCCC[NH+]2CCCCCC2)c1[N+](=O)[O-] ZINC000098099096 193785400 /nfs/dbraw/zinc/78/54/00/193785400.db2.gz XUZGYRFITFVIGL-UHFFFAOYSA-N 1 0 323.397 1.633 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000270581549 248635462 /nfs/dbraw/zinc/63/54/62/248635462.db2.gz QVXCVEMUKFRXSA-CQSZACIVSA-N 1 0 320.393 1.317 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000334075897 249205699 /nfs/dbraw/zinc/20/56/99/249205699.db2.gz CRUROQPVJLBCGG-MNOVXSKESA-N 1 0 307.350 1.816 20 5 DDBDRO CNc1c(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000336860618 249268624 /nfs/dbraw/zinc/26/86/24/249268624.db2.gz SOWXHAZUHRGCDQ-SNVBAGLBSA-N 1 0 304.350 1.603 20 5 DDBDRO CC[NH+](CC)CCCNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000102486917 193890920 /nfs/dbraw/zinc/89/09/20/193890920.db2.gz HBUKOCYBVMMQDV-UHFFFAOYSA-N 1 0 311.386 1.375 20 5 DDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[NH2+]CC2)cc1OC ZINC000159368766 197348225 /nfs/dbraw/zinc/34/82/25/197348225.db2.gz IPGKGFGHAKEVCL-UHFFFAOYSA-N 1 0 309.322 1.048 20 5 DDBDRO C[NH+](C)[C@H]1CCCN(CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000109806996 194288302 /nfs/dbraw/zinc/28/83/02/194288302.db2.gz ZAQSMYHAMPIQPH-LBPRGKRZSA-N 1 0 306.366 1.559 20 5 DDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@H]2CCCOC2)cc1 ZINC000273449375 210784619 /nfs/dbraw/zinc/78/46/19/210784619.db2.gz OJFWBKFQEKEKNJ-NSHDSACASA-N 1 0 314.363 1.137 20 5 DDBDRO C[C@@H](CNC(=O)CNc1ccccc1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000057701516 184047649 /nfs/dbraw/zinc/04/76/49/184047649.db2.gz NOSLVJJPHBRRPD-NSHDSACASA-N 1 0 306.366 1.606 20 5 DDBDRO Nc1c(C(=O)N2CCC[N@@H+](C3CC3)CC2)cc(F)cc1[N+](=O)[O-] ZINC000061604189 184177507 /nfs/dbraw/zinc/17/75/07/184177507.db2.gz DDWBXPGTXODVRW-UHFFFAOYSA-N 1 0 322.340 1.626 20 5 DDBDRO C[C@H]1C[C@@H](NC(=O)NCCc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000341025439 251344703 /nfs/dbraw/zinc/34/47/03/251344703.db2.gz JCNSXHOKDYJJTC-JSGCOSHPSA-N 1 0 320.393 1.919 20 5 DDBDRO CC(C)C[NH+]1CCC(NC(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000067264827 184458081 /nfs/dbraw/zinc/45/80/81/184458081.db2.gz DHUANTNTVVNEIU-UHFFFAOYSA-N 1 0 309.370 1.028 20 5 DDBDRO COc1cc(C[N@@H+]2C[C@H](C(N)=O)CC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000352404117 285027880 /nfs/dbraw/zinc/02/78/80/285027880.db2.gz CGCLMCGKIYZDIR-CMPLNLGQSA-N 1 0 307.350 1.689 20 5 DDBDRO COc1cc(C[NH2+][C@H](CO)C2CCOCC2)ccc1[N+](=O)[O-] ZINC000359863862 299555134 /nfs/dbraw/zinc/55/51/34/299555134.db2.gz XTIKYQSYDVIWBU-CYBMUJFWSA-N 1 0 310.350 1.481 20 5 DDBDRO COc1ccc(CNC(=O)[C@]2(C)CCCC[NH2+]2)cc1[N+](=O)[O-] ZINC000272979721 210359139 /nfs/dbraw/zinc/35/91/39/210359139.db2.gz NZTMONVKUPPBJY-HNNXBMFYSA-N 1 0 307.350 1.752 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NCCC[NH2+]C1CC1 ZINC000415505826 533141376 /nfs/dbraw/zinc/14/13/76/533141376.db2.gz QTVSBVRZJKEPDU-UHFFFAOYSA-N 1 0 308.338 1.867 20 5 DDBDRO COC[C@]1(C(=O)OC)CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000294923310 533218118 /nfs/dbraw/zinc/21/81/18/533218118.db2.gz BBTMVMZGDDWETL-HNNXBMFYSA-N 1 0 308.334 1.606 20 5 DDBDRO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000289525842 221040131 /nfs/dbraw/zinc/04/01/31/221040131.db2.gz AYSMATPTFCEYOJ-UWVGGRQHSA-N 1 0 309.753 1.930 20 5 DDBDRO C[C@@H]1CSC[C@@H]1[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000352813290 285317828 /nfs/dbraw/zinc/31/78/28/285317828.db2.gz AVCUTAIXRPCQSW-WOPDTQHZSA-N 1 0 312.391 1.676 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](CO)[C@@H]1CCCOC1 ZINC000414554027 224351643 /nfs/dbraw/zinc/35/16/43/224351643.db2.gz LBYXHWJQGFROJC-BPLDGKMQSA-N 1 0 308.378 1.903 20 5 DDBDRO COC[C@@]1(C(=O)OC)CC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000294979688 224355624 /nfs/dbraw/zinc/35/56/24/224355624.db2.gz GKHWKYHRBQJRFA-MRXNPFEDSA-N 1 0 322.361 1.915 20 5 DDBDRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000121992428 195386488 /nfs/dbraw/zinc/38/64/88/195386488.db2.gz CQFYLQHHTMQCTA-OLZOCXBDSA-N 1 0 320.393 1.759 20 5 DDBDRO O=C(CCn1cc([N+](=O)[O-])cn1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000127967271 195925378 /nfs/dbraw/zinc/92/53/78/195925378.db2.gz VPLFIXMKXHSRPA-CYBMUJFWSA-N 1 0 321.381 1.126 20 5 DDBDRO CON1CCC([N@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000459594218 533309461 /nfs/dbraw/zinc/30/94/61/533309461.db2.gz XPUFCYXUZVQIEQ-UHFFFAOYSA-N 1 0 322.365 1.151 20 5 DDBDRO COCC[N@H+](C)CCCNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000491262305 533311353 /nfs/dbraw/zinc/31/13/53/533311353.db2.gz MQBRTRLAQNPLTH-TWGQIWQCSA-N 1 0 321.377 1.693 20 5 DDBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@H]1CCC[NH2+]C1 ZINC000423193934 533446343 /nfs/dbraw/zinc/44/63/43/533446343.db2.gz RCQRFWBUISWOOY-AAEUAGOBSA-N 1 0 306.366 1.654 20 5 DDBDRO COc1cc(C(=O)N[C@H]2CC[NH2+][C@@H](C)C2)cc([N+](=O)[O-])c1C ZINC000423619202 533554351 /nfs/dbraw/zinc/55/43/51/533554351.db2.gz IBCFQDKZAIPTPZ-CABZTGNLSA-N 1 0 307.350 1.782 20 5 DDBDRO COc1ccc(CNC(=O)N[C@@H](C)CCCC[NH3+])cc1[N+](=O)[O-] ZINC000417181454 533621188 /nfs/dbraw/zinc/62/11/88/533621188.db2.gz HWBYNEYIOROHPM-NSHDSACASA-N 1 0 324.381 1.920 20 5 DDBDRO C[C@H](NC(=O)N[C@@H]1CC[NH2+]C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000417147129 533674087 /nfs/dbraw/zinc/67/40/87/533674087.db2.gz ZDMRDFHCDXLNAD-UHIISALHSA-N 1 0 306.366 1.953 20 5 DDBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H](CO)C1CC1 ZINC000353508993 285776933 /nfs/dbraw/zinc/77/69/33/285776933.db2.gz IAYWGRCPXARUKJ-WCQYABFASA-N 1 0 321.377 1.920 20 5 DDBDRO CC(C)Oc1nc(NCC2=CC[N@H+](C)CC2)ccc1[N+](=O)[O-] ZINC000579733604 422825969 /nfs/dbraw/zinc/82/59/69/422825969.db2.gz LWPCTGMNSVYMAJ-UHFFFAOYSA-N 1 0 306.366 2.451 20 5 DDBDRO CC(C)C[C@H](CNC(=O)c1ccc(N)c([N+](=O)[O-])c1)[NH+](C)C ZINC000114377205 407567809 /nfs/dbraw/zinc/56/78/09/407567809.db2.gz FZHADTMJNIBYJD-GFCCVEGCSA-N 1 0 308.382 1.883 20 5 DDBDRO O=C(N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000361083850 306991804 /nfs/dbraw/zinc/99/18/04/306991804.db2.gz ZMHPLBOVSXBOOU-QWHCGFSZSA-N 1 0 307.325 1.852 20 5 DDBDRO O=C(N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000361079586 299799011 /nfs/dbraw/zinc/79/90/11/299799011.db2.gz LOFFJKVUGNBMNR-UONOGXRCSA-N 1 0 307.325 1.852 20 5 DDBDRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000570675000 304418777 /nfs/dbraw/zinc/41/87/77/304418777.db2.gz BQPMWTZYVZAXQN-ONGXEEELSA-N 1 0 321.333 1.571 20 5 DDBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccco1 ZINC000077221023 406980466 /nfs/dbraw/zinc/98/04/66/406980466.db2.gz UEQIFKWFWGHDFW-LLVKDONJSA-N 1 0 303.318 1.982 20 5 DDBDRO C[NH+]1CCC(NC(=O)CSc2ccc([N+](=O)[O-])cc2)CC1 ZINC000078422597 407027141 /nfs/dbraw/zinc/02/71/41/407027141.db2.gz HMWQNXQUSHCECI-UHFFFAOYSA-N 1 0 309.391 1.897 20 5 DDBDRO Cc1cc(C(=O)NCC[NH+]2CCC(C)CC2)c(N)c([N+](=O)[O-])c1 ZINC000104144715 407347421 /nfs/dbraw/zinc/34/74/21/407347421.db2.gz FLSOQFBRPFNEOS-UHFFFAOYSA-N 1 0 320.393 1.947 20 5 DDBDRO O=C(Cn1ccc([N+](=O)[O-])n1)N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000107628478 407376842 /nfs/dbraw/zinc/37/68/42/407376842.db2.gz NITPQRRINUPAJJ-ZDUSSCGKSA-N 1 0 321.381 1.268 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C[C@H](C)O)C(C)C ZINC000107043096 407368529 /nfs/dbraw/zinc/36/85/29/407368529.db2.gz OUKSESGIEFHOKF-LBPRGKRZSA-N 1 0 309.366 1.933 20 5 DDBDRO COc1ccc(C(=O)NC[C@@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000108341337 407384571 /nfs/dbraw/zinc/38/45/71/407384571.db2.gz KSSVFQROQOSGLK-NSHDSACASA-N 1 0 307.350 1.675 20 5 DDBDRO CC[N@@H+]1CC[C@@H](CNC(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000107893579 407381030 /nfs/dbraw/zinc/38/10/30/407381030.db2.gz WAQPDQPAJPCAAU-LBPRGKRZSA-N 1 0 306.366 1.465 20 5 DDBDRO C[N@@H+]1CCN(CCn2cc([N+](=O)[O-])cn2)C2(CCCCC2)C1 ZINC000178402426 407446123 /nfs/dbraw/zinc/44/61/23/407446123.db2.gz BPJWMXLOUZXMPF-UHFFFAOYSA-N 1 0 307.398 1.742 20 5 DDBDRO CC[N@@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)CC1CC1 ZINC000112983534 407454968 /nfs/dbraw/zinc/45/49/68/407454968.db2.gz JSZLOTUCRLWLNO-UHFFFAOYSA-N 1 0 321.333 1.994 20 5 DDBDRO CC[N@H+](CCO)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000270992175 407457428 /nfs/dbraw/zinc/45/74/28/407457428.db2.gz IIDYDENJDAXJQL-UHFFFAOYSA-N 1 0 304.350 1.810 20 5 DDBDRO Cn1ccnc1[C@@H]1C[NH2+]CCN1Cc1ccccc1[N+](=O)[O-] ZINC000261705439 407587902 /nfs/dbraw/zinc/58/79/02/407587902.db2.gz GRRKFJMOYARQIR-AWEZNQCLSA-N 1 0 301.350 1.475 20 5 DDBDRO NC(=O)C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000181941511 306701116 /nfs/dbraw/zinc/70/11/16/306701116.db2.gz IQXAPUXOESIGLX-CYBMUJFWSA-N 1 0 307.350 1.355 20 5 DDBDRO CCN(CCOc1ccc(OC)cc1[N+](=O)[O-])CC(=O)OC ZINC000266525447 407544911 /nfs/dbraw/zinc/54/49/11/407544911.db2.gz KHVGPNVQMDVLEL-UHFFFAOYSA-N 1 0 312.322 1.477 20 5 DDBDRO Cc1cccc(C(=O)NC[C@@H](C)N2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000114143292 407545669 /nfs/dbraw/zinc/54/56/69/407545669.db2.gz YNUVEFMJWBRKDQ-CYBMUJFWSA-N 1 0 320.393 1.269 20 5 DDBDRO Cc1c(C(=O)NCCC[NH+](C)C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000114674747 407596796 /nfs/dbraw/zinc/59/67/96/407596796.db2.gz MABRCAHPSJEQSM-UHFFFAOYSA-N 1 0 324.337 1.801 20 5 DDBDRO Cn1c(C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)ccc1[N+](=O)[O-] ZINC000261762236 407603935 /nfs/dbraw/zinc/60/39/35/407603935.db2.gz QHZNZFCMAVAOPI-UHFFFAOYSA-N 1 0 318.308 1.970 20 5 DDBDRO [NH3+]C1(c2noc(-c3n[nH]c4ccc([N+](=O)[O-])cc43)n2)CCC1 ZINC000261793765 407615327 /nfs/dbraw/zinc/61/53/27/407615327.db2.gz ORLZSJFUDZQTOZ-UHFFFAOYSA-N 1 0 300.278 1.859 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000227064797 407625723 /nfs/dbraw/zinc/62/57/23/407625723.db2.gz UJSQUHFPOFUUQO-JQWIXIFHSA-N 1 0 313.379 1.261 20 5 DDBDRO NC(=O)c1ccc(CN2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c([N+](=O)[O-])c1 ZINC000261818990 407626172 /nfs/dbraw/zinc/62/61/72/407626172.db2.gz HFCPXORFWQMPAC-FPMFFAJLSA-N 1 0 318.377 1.253 20 5 DDBDRO C[C@@H](CC[NH+](C)C)Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000271322179 407636385 /nfs/dbraw/zinc/63/63/85/407636385.db2.gz UMCQVQRYFTUERB-QMMMGPOBSA-N 1 0 321.424 1.812 20 5 DDBDRO O=C(NCC[C@@H]1CC[NH2+]C1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000178946819 407669014 /nfs/dbraw/zinc/66/90/14/407669014.db2.gz HPYZLJGOQXSIMN-VIFPVBQESA-N 1 0 308.294 1.232 20 5 DDBDRO C[NH2+]C1CCN(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000178952084 407670996 /nfs/dbraw/zinc/67/09/96/407670996.db2.gz NHJLJWVUVPKJRI-UHFFFAOYSA-N 1 0 313.379 1.276 20 5 DDBDRO CC(C)(C(=O)Nc1ccc(C[NH3+])cc1)n1cc([N+](=O)[O-])cn1 ZINC000131031661 407718689 /nfs/dbraw/zinc/71/86/89/407718689.db2.gz DRZNMJZRVOWVFK-UHFFFAOYSA-N 1 0 303.322 1.624 20 5 DDBDRO CC(C)OC(=O)C[C@H](NC(=O)C[NH3+])c1ccccc1[N+](=O)[O-] ZINC000236768087 407774116 /nfs/dbraw/zinc/77/41/16/407774116.db2.gz KXUCHIFYALNRIL-NSHDSACASA-N 1 0 309.322 1.053 20 5 DDBDRO CCOc1ccc(C(=O)N2CCC[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000236901599 407784335 /nfs/dbraw/zinc/78/43/35/407784335.db2.gz SBVUHLBMAVXCLV-LLVKDONJSA-N 1 0 307.350 1.804 20 5 DDBDRO C[C@@H]1CN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C[C@@H](C)[NH2+]1 ZINC000153518337 407842055 /nfs/dbraw/zinc/84/20/55/407842055.db2.gz QDAWEWRRJCCABT-GHMZBOCLSA-N 1 0 318.377 1.992 20 5 DDBDRO COC[C@@]1(CNC(=O)Cc2cccc([N+](=O)[O-])c2)CCC[NH2+]1 ZINC000262440192 407837441 /nfs/dbraw/zinc/83/74/41/407837441.db2.gz GRDFVYYCJYKYPK-HNNXBMFYSA-N 1 0 307.350 1.022 20 5 DDBDRO C[C@@H]1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000262449761 407837686 /nfs/dbraw/zinc/83/76/86/407837686.db2.gz HPKBLULUTHLCCV-VXGBXAGGSA-N 1 0 306.366 1.450 20 5 DDBDRO C[N@@H+]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000117742697 407853897 /nfs/dbraw/zinc/85/38/97/407853897.db2.gz DLMHRJNTBXDMSX-UHFFFAOYSA-N 1 0 311.769 1.955 20 5 DDBDRO C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C[N@@H+]1C1CC1 ZINC000133592006 407863455 /nfs/dbraw/zinc/86/34/55/407863455.db2.gz BIXNSZRZIVMUNB-BDAKNGLRSA-N 1 0 306.322 1.050 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000262738425 407912559 /nfs/dbraw/zinc/91/25/59/407912559.db2.gz BFCOEMUPLWPNOR-JQWIXIFHSA-N 1 0 313.379 1.180 20 5 DDBDRO [NH3+]C[C@H]1CCCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000237883504 407847266 /nfs/dbraw/zinc/84/72/66/407847266.db2.gz FQUHQKYKKMEDMO-SECBINFHSA-N 1 0 303.322 1.282 20 5 DDBDRO COc1cc(NC[C@@H]2C[N@H+](C)CCN2C)c([N+](=O)[O-])cc1F ZINC000268223923 407956029 /nfs/dbraw/zinc/95/60/29/407956029.db2.gz SZLCFEGQVFGEOX-SNVBAGLBSA-N 1 0 312.345 1.400 20 5 DDBDRO C[C@H]1CN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C[C@H](C)[NH2+]1 ZINC000153906146 407930565 /nfs/dbraw/zinc/93/05/65/407930565.db2.gz WTYVCEBMPHOQAW-STQMWFEESA-N 1 0 320.393 1.996 20 5 DDBDRO Cc1nn(CCC(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000154243027 408001344 /nfs/dbraw/zinc/00/13/44/408001344.db2.gz DYYGNPWHRFYZHN-UWVGGRQHSA-N 1 0 309.370 1.007 20 5 DDBDRO Cc1cc(N2CCO[C@@H](C(N)=O)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000272812972 408011343 /nfs/dbraw/zinc/01/13/43/408011343.db2.gz HJRFLCRSEUPGGI-CQSZACIVSA-N 1 0 316.317 1.142 20 5 DDBDRO COc1cc(CNCc2cc(C(N)=O)co2)c([N+](=O)[O-])cc1O ZINC000189410873 408013365 /nfs/dbraw/zinc/01/33/65/408013365.db2.gz VDHWAQBXHGSOKQ-UHFFFAOYSA-N 1 0 321.289 1.291 20 5 DDBDRO CCOC(=O)c1ccnc(N2CCC[C@@H]2C[NH+](C)C)c1[N+](=O)[O-] ZINC000268603403 408115526 /nfs/dbraw/zinc/11/55/26/408115526.db2.gz KJEUFEXJEYFOKO-LLVKDONJSA-N 1 0 322.365 1.697 20 5 DDBDRO CN(CC(=O)N1CC[NH2+]C(C)(C)C1)c1ccccc1[N+](=O)[O-] ZINC000175426357 408126796 /nfs/dbraw/zinc/12/67/96/408126796.db2.gz BNTVKKRZWKLROQ-UHFFFAOYSA-N 1 0 306.366 1.241 20 5 DDBDRO CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1N)[C@H]1CCC[N@H+](C)C1 ZINC000151119915 408260549 /nfs/dbraw/zinc/26/05/49/408260549.db2.gz SMVRCFPDQYRAEB-JTQLQIEISA-N 1 0 310.329 1.482 20 5 DDBDRO C[C@@H](C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)[C@H](C)[NH3+] ZINC000182846028 408263205 /nfs/dbraw/zinc/26/32/05/408263205.db2.gz UHHPXQJAPOWVOA-NEPJUHHUSA-N 1 0 306.366 1.227 20 5 DDBDRO O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CC[NH2+]CC1 ZINC000269102022 408229836 /nfs/dbraw/zinc/22/98/36/408229836.db2.gz FLNDPCNKPSZJSO-UHFFFAOYSA-N 1 0 303.240 1.659 20 5 DDBDRO C[N@H+](CCOc1ccc(F)cc1)CCn1ccc([N+](=O)[O-])n1 ZINC000176198654 408305654 /nfs/dbraw/zinc/30/56/54/408305654.db2.gz ZHISDWBOUSVFJL-UHFFFAOYSA-N 1 0 308.313 1.941 20 5 DDBDRO COCC[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000138548748 162131321 /nfs/dbraw/zinc/13/13/21/162131321.db2.gz OFUBRYDTDIXBNG-UHFFFAOYSA-N 1 0 307.350 1.435 20 5 DDBDRO CC[C@H]([NH3+])CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000165898065 162163511 /nfs/dbraw/zinc/16/35/11/162163511.db2.gz HSIWVSQCYSNKDK-VIFPVBQESA-N 1 0 316.155 1.824 20 5 DDBDRO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@H](O)COC1CCOCC1 ZINC000176424370 408363314 /nfs/dbraw/zinc/36/33/14/408363314.db2.gz DJAGHYGWORLLIB-AWEZNQCLSA-N 1 0 324.377 1.583 20 5 DDBDRO CN(C(=O)C[N@H+](C)C[C@H]1CCC[C@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000246907599 408364866 /nfs/dbraw/zinc/36/48/66/408364866.db2.gz ROTUHNCMSRZPLI-IUODEOHRSA-N 1 0 321.377 1.650 20 5 DDBDRO Cc1c([C@@H](C)[NH2+]CC(=O)N2CCOCC2)cccc1[N+](=O)[O-] ZINC000183360085 408390497 /nfs/dbraw/zinc/39/04/97/408390497.db2.gz HIAOHOJXSYOJDN-GFCCVEGCSA-N 1 0 307.350 1.413 20 5 DDBDRO CC1(CNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC[NH2+]CC1 ZINC000183385610 408395554 /nfs/dbraw/zinc/39/55/54/408395554.db2.gz XNBHRQHSFFMEGV-UHFFFAOYSA-N 1 0 317.349 1.591 20 5 DDBDRO CCC1(CC)[C@H]([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)C[C@@H]1OC ZINC000191369334 408415063 /nfs/dbraw/zinc/41/50/63/408415063.db2.gz DWCQPFVBLLHUGS-KGLIPLIRSA-N 1 0 323.393 1.940 20 5 DDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160458071 408483464 /nfs/dbraw/zinc/48/34/64/408483464.db2.gz ZEXNIVLWHQALCW-OAHLLOKOSA-N 1 0 321.377 1.100 20 5 DDBDRO C[NH+](C)C1CCN(CCNC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000177143518 408534654 /nfs/dbraw/zinc/53/46/54/408534654.db2.gz IWPHVMSIVLUCJV-UHFFFAOYSA-N 1 0 320.393 1.351 20 5 DDBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)CCn3cc([N+](=O)[O-])cn3)CC[C@H]21 ZINC000248178046 408541942 /nfs/dbraw/zinc/54/19/42/408541942.db2.gz VYMZUZPTLAMBIX-TZMCWYRMSA-N 1 0 321.381 1.124 20 5 DDBDRO COc1cccc(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000192532347 408604462 /nfs/dbraw/zinc/60/44/62/408604462.db2.gz QMHAKDDIBYTJLU-NSHDSACASA-N 1 0 305.334 1.524 20 5 DDBDRO COc1cc(N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000248666712 408613584 /nfs/dbraw/zinc/61/35/84/408613584.db2.gz OHIPZHYPJABUSW-RYUDHWBXSA-N 1 0 309.366 1.495 20 5 DDBDRO Cc1cc(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c(N)c([N+](=O)[O-])c1 ZINC000184946711 408722680 /nfs/dbraw/zinc/72/26/80/408722680.db2.gz MMEPNFUTSRUTHG-MVWJERBFSA-N 1 0 304.350 1.295 20 5 DDBDRO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000265508257 408678403 /nfs/dbraw/zinc/67/84/03/408678403.db2.gz JTOBBJBTAQQZGU-UHFFFAOYSA-N 1 0 322.365 1.107 20 5 DDBDRO CN(CCC[N@H+](C)CCn1ccc([N+](=O)[O-])n1)Cc1ccco1 ZINC000285811579 408868541 /nfs/dbraw/zinc/86/85/41/408868541.db2.gz VVRYRKWBKLRLCP-UHFFFAOYSA-N 1 0 321.381 1.838 20 5 DDBDRO COCCN1CCCN([C@H](C)c2cccc([N+](=O)[O-])c2)CC1=O ZINC000190771232 163158722 /nfs/dbraw/zinc/15/87/22/163158722.db2.gz OSVDXAKRQYPMSN-CYBMUJFWSA-N 1 0 321.377 1.837 20 5 DDBDRO CCn1nc(C)c([N+](=O)[O-])c1NCCN1CC[NH+](CC)CC1 ZINC000192488019 163224884 /nfs/dbraw/zinc/22/48/84/163224884.db2.gz OSQDBCLXFQTKNW-UHFFFAOYSA-N 1 0 310.402 1.169 20 5 DDBDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000277402651 408934836 /nfs/dbraw/zinc/93/48/36/408934836.db2.gz YNLKBUGMHVHAAF-LLVKDONJSA-N 1 0 308.338 1.252 20 5 DDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCc3n[nH]cc3C2)c([N+](=O)[O-])c1 ZINC000194473389 163284225 /nfs/dbraw/zinc/28/42/25/163284225.db2.gz YUWPMZQNPFIRLY-NSHDSACASA-N 1 0 317.305 1.873 20 5 DDBDRO O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000277630159 408980816 /nfs/dbraw/zinc/98/08/16/408980816.db2.gz XBWGFHDDCWGJRS-GFCCVEGCSA-N 1 0 320.349 1.442 20 5 DDBDRO O=[N+]([O-])c1cc2c(ncnc2N2CCC([NH2+]CCO)CC2)s1 ZINC000286454678 408987713 /nfs/dbraw/zinc/98/77/13/408987713.db2.gz JSPQPWUFDCSCHO-UHFFFAOYSA-N 1 0 323.378 1.150 20 5 DDBDRO CCCN(CC[NH+]1CCCC1)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000287633473 409067846 /nfs/dbraw/zinc/06/78/46/409067846.db2.gz ZRZUGJVSUVSHDW-UHFFFAOYSA-N 1 0 309.370 1.276 20 5 DDBDRO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000283597796 409182705 /nfs/dbraw/zinc/18/27/05/409182705.db2.gz XZXHYEKADYDQED-JTQLQIEISA-N 1 0 324.356 1.920 20 5 DDBDRO C[C@@H]1C[NH2+]CCN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000261897135 163724091 /nfs/dbraw/zinc/72/40/91/163724091.db2.gz VDMGTWUPSVYCFM-SNVBAGLBSA-N 1 0 303.322 1.439 20 5 DDBDRO C[C@@H](CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C[NH+](C)C ZINC000294065254 409234339 /nfs/dbraw/zinc/23/43/39/409234339.db2.gz HDRGNUSHOYBQFB-JTQLQIEISA-N 1 0 323.349 1.294 20 5 DDBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(c2nc(=O)[nH][nH]2)CC1 ZINC000289358376 409253878 /nfs/dbraw/zinc/25/38/78/409253878.db2.gz GYMQMROABUOZQS-JTQLQIEISA-N 1 0 317.349 1.947 20 5 DDBDRO CN1CC[C@@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)[C@@H]1c1ccccc1 ZINC000289367128 409256247 /nfs/dbraw/zinc/25/62/47/409256247.db2.gz JONPTHJYQBQGFJ-CVEARBPZSA-N 1 0 315.377 1.826 20 5 DDBDRO NC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000284020297 409258711 /nfs/dbraw/zinc/25/87/11/409258711.db2.gz HSYYTEHKZQMAGE-NEPJUHHUSA-N 1 0 322.321 1.637 20 5 DDBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C[NH+](C)C ZINC000294346032 409283788 /nfs/dbraw/zinc/28/37/88/409283788.db2.gz UFOMJLCFMXRKJK-VIFPVBQESA-N 1 0 310.310 1.431 20 5 DDBDRO COc1cc(C(=O)N(C)[C@@H]2CCC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000262464488 163832894 /nfs/dbraw/zinc/83/28/94/163832894.db2.gz ITYIOJFZKFCMQM-GFCCVEGCSA-N 1 0 307.350 1.818 20 5 DDBDRO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000295306762 409424266 /nfs/dbraw/zinc/42/42/66/409424266.db2.gz BLXZGTHVGSVDHE-ZDUSSCGKSA-N 1 0 323.397 1.418 20 5 DDBDRO CN(CCC[NH+]1CCCC1)C(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000295425149 409476295 /nfs/dbraw/zinc/47/62/95/409476295.db2.gz SPKFIPNXZWJLFU-UHFFFAOYSA-N 1 0 308.338 1.253 20 5 DDBDRO CCc1nn(C)c(N2CC[C@H]([NH+]3CCCCC3)C2)c1[N+](=O)[O-] ZINC000408077592 164219798 /nfs/dbraw/zinc/21/97/98/164219798.db2.gz ZOFPJYDPOXBCCV-LBPRGKRZSA-N 1 0 307.398 1.955 20 5 DDBDRO O=[N+]([O-])c1cnc(N2CC[NH+](C3CCOCC3)CC2)c(F)c1 ZINC000408468496 164341106 /nfs/dbraw/zinc/34/11/06/164341106.db2.gz NQZOATLQUNRRKB-UHFFFAOYSA-N 1 0 310.329 1.430 20 5 DDBDRO CC1CC[NH+](C[C@@H](O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000303993183 409559936 /nfs/dbraw/zinc/55/99/36/409559936.db2.gz NRJIMNMEDVDLAV-HNNXBMFYSA-N 1 0 321.377 1.417 20 5 DDBDRO COc1cc(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000331547552 409622128 /nfs/dbraw/zinc/62/21/28/409622128.db2.gz RJEXWSJLZBASTJ-LLVKDONJSA-N 1 0 305.334 1.570 20 5 DDBDRO Cc1nn(C)c(C(=O)N2CCC(CC[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000353961073 409578569 /nfs/dbraw/zinc/57/85/69/409578569.db2.gz LTEGOYLDGSIIPT-UHFFFAOYSA-N 1 0 323.397 1.441 20 5 DDBDRO C[NH+](C)CCOCCNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000345608995 409706980 /nfs/dbraw/zinc/70/69/80/409706980.db2.gz UHRCJWQQOFTUHB-UHFFFAOYSA-N 1 0 323.393 1.567 20 5 DDBDRO Cc1nn(CCC(=O)N2CC[N@@H+](C)[C@H](C)[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000356835058 409647080 /nfs/dbraw/zinc/64/70/80/409647080.db2.gz BFTQUMIKABYBSH-VXGBXAGGSA-N 1 0 323.397 1.349 20 5 DDBDRO CC[N@@H+](Cc1ccccn1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000305034145 409657042 /nfs/dbraw/zinc/65/70/42/409657042.db2.gz IDKUGBVTDUZGSF-AWEZNQCLSA-N 1 0 305.338 1.069 20 5 DDBDRO CC[C@@H](C)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000297019742 409764838 /nfs/dbraw/zinc/76/48/38/409764838.db2.gz RKUYCISJJGOIML-LLVKDONJSA-N 1 0 306.366 1.733 20 5 DDBDRO COc1ccc(CNC(=O)[C@H]2CCC[NH2+][C@H]2C)cc1[N+](=O)[O-] ZINC000342719272 409842336 /nfs/dbraw/zinc/84/23/36/409842336.db2.gz FLDQSTPYWMMZSD-JQWIXIFHSA-N 1 0 307.350 1.608 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[N@@H+](C)[C@@H](C)[C@H]1C ZINC000357012404 409794465 /nfs/dbraw/zinc/79/44/65/409794465.db2.gz YQJUYRQNWITJOT-QWHCGFSZSA-N 1 0 320.393 1.866 20 5 DDBDRO O=C(NC[C@H]1CC[NH2+]C1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000342730904 409853844 /nfs/dbraw/zinc/85/38/44/409853844.db2.gz XXNNJMLIYDBPQQ-NSHDSACASA-N 1 0 315.333 1.120 20 5 DDBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])nn2C)C1 ZINC000357042863 409814316 /nfs/dbraw/zinc/81/43/16/409814316.db2.gz SNSMYEYBTWDADC-NSHDSACASA-N 1 0 309.370 1.132 20 5 DDBDRO C[NH2+]Cc1cccc(NC(=O)CCn2cc([N+](=O)[O-])cn2)c1 ZINC000297261036 409878962 /nfs/dbraw/zinc/87/89/62/409878962.db2.gz RSDRETHINSCFNH-UHFFFAOYSA-N 1 0 303.322 1.540 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NC[C@@]1(O)CC[N@H+](C)C1 ZINC000342833358 409936257 /nfs/dbraw/zinc/93/62/57/409936257.db2.gz ZDLUVOPLMXRTGG-HNNXBMFYSA-N 1 0 323.349 1.168 20 5 DDBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)Nc3ccncc3[N+](=O)[O-])C[C@@H]21 ZINC000332241417 410006212 /nfs/dbraw/zinc/00/62/12/410006212.db2.gz RTRZEAULTXARGA-GARJFASQSA-N 1 0 305.338 1.003 20 5 DDBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1C[C@H](C)[NH+](C)[C@@H](C)C1 ZINC000339618651 410334442 /nfs/dbraw/zinc/33/44/42/410334442.db2.gz HLNZEXCDKNZFDQ-RWMBFGLXSA-N 1 0 320.393 1.946 20 5 DDBDRO C[N@H+]1CC=C(CNC(=O)Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000343311186 410338054 /nfs/dbraw/zinc/33/80/54/410338054.db2.gz ZDFGEUYMJRXCTL-UHFFFAOYSA-N 1 0 307.325 1.655 20 5 DDBDRO O=[N+]([O-])c1cccc(OCC[NH+]2CCC(OCCO)CC2)c1 ZINC000339784093 410459889 /nfs/dbraw/zinc/45/98/89/410459889.db2.gz VKEFJFOQBYFFIQ-UHFFFAOYSA-N 1 0 310.350 1.447 20 5 DDBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000262458935 287152608 /nfs/dbraw/zinc/15/26/08/287152608.db2.gz IKGBQLZRIXXTPR-UONOGXRCSA-N 1 0 304.394 1.635 20 5 DDBDRO CC[C@H](C)[N@H+](CCO)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000347470435 410570653 /nfs/dbraw/zinc/57/06/53/410570653.db2.gz HTCIXNZKJSVVAA-LBPRGKRZSA-N 1 0 309.366 1.935 20 5 DDBDRO CN(C(=O)Cc1cccc([N+](=O)[O-])c1)[C@H]1C[NH+]2CCC1CC2 ZINC000359295902 410582107 /nfs/dbraw/zinc/58/21/07/410582107.db2.gz IDGCSBVEECPMHD-HNNXBMFYSA-N 1 0 303.362 1.690 20 5 DDBDRO C[C@H](C[NH3+])NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000347668913 410665325 /nfs/dbraw/zinc/66/53/25/410665325.db2.gz LRKKTWLXVJNBKA-SECBINFHSA-N 1 0 303.322 1.072 20 5 DDBDRO C[NH+](C)CCOc1ccccc1CNc1ccncc1[N+](=O)[O-] ZINC000340150350 410710469 /nfs/dbraw/zinc/71/04/69/410710469.db2.gz IUJQFCLIFDEEGI-UHFFFAOYSA-N 1 0 316.361 1.964 20 5 DDBDRO Cc1cnn(C)c1C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000347848891 410755015 /nfs/dbraw/zinc/75/50/15/410755015.db2.gz JKDHCJZEVWWJBY-GFCCVEGCSA-N 1 0 316.365 1.718 20 5 DDBDRO C[C@H]1C[NH+](CCCNC(=O)c2ccc([N+](=O)[O-])n2C)C[C@H](C)O1 ZINC000330535286 410756266 /nfs/dbraw/zinc/75/62/66/410756266.db2.gz JDLRAVUEVMZUJK-RYUDHWBXSA-N 1 0 324.381 1.162 20 5 DDBDRO C[NH+](C)[C@H](CNc1ccc2ncc([N+](=O)[O-])n2n1)c1ccco1 ZINC000301841092 410813336 /nfs/dbraw/zinc/81/33/36/410813336.db2.gz PHTJZDRCCKBKCJ-SNVBAGLBSA-N 1 0 316.321 1.945 20 5 DDBDRO C[C@@H]1CC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1O ZINC000330649744 410850135 /nfs/dbraw/zinc/85/01/35/410850135.db2.gz JELPDOFQFIXSMW-KYOSRNDESA-N 1 0 310.350 1.037 20 5 DDBDRO O=C(CC[N@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000344044936 410918464 /nfs/dbraw/zinc/91/84/64/410918464.db2.gz XVGBWYJJIGANLG-GLQYFDAESA-N 1 0 319.361 1.626 20 5 DDBDRO C[C@@H]1C[C@@H](NC(=O)NCCc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000341187159 410923347 /nfs/dbraw/zinc/92/33/47/410923347.db2.gz CGVZSRHUSOHKHF-OCCSQVGLSA-N 1 0 320.393 1.919 20 5 DDBDRO C[C@H]1C[C@@H](NC(=O)NCCc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000341187158 410924248 /nfs/dbraw/zinc/92/42/48/410924248.db2.gz CGVZSRHUSOHKHF-JSGCOSHPSA-N 1 0 320.393 1.919 20 5 DDBDRO C[C@H](CN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000353511966 411040046 /nfs/dbraw/zinc/04/00/46/411040046.db2.gz BXQMNSFPYRNQRZ-DOMZBBRYSA-N 1 0 317.393 1.957 20 5 DDBDRO Cc1c(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cnn1C ZINC000353727399 411119167 /nfs/dbraw/zinc/11/91/67/411119167.db2.gz ZNSGQIXYOJSAFM-CYBMUJFWSA-N 1 0 316.365 1.718 20 5 DDBDRO COc1ccc(CC(=O)N[C@](C)(C[NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000580063521 422881654 /nfs/dbraw/zinc/88/16/54/422881654.db2.gz HJJRYIDAIKMWHS-OAHLLOKOSA-N 1 0 309.366 1.636 20 5 DDBDRO CC[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])c(-c2ccc(F)cn2)n1 ZINC000580346127 422922519 /nfs/dbraw/zinc/92/25/19/422922519.db2.gz XETCAUALIUVEJR-LLVKDONJSA-N 1 0 323.328 1.305 20 5 DDBDRO CC1(C)C[C@@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C(C)(C)O1 ZINC000132617725 196270729 /nfs/dbraw/zinc/27/07/29/196270729.db2.gz ZQMSTLSGPYAFRJ-NWDGAFQWSA-N 1 0 312.370 1.088 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@@H](CCO)c1ccccc1 ZINC000271641326 209085290 /nfs/dbraw/zinc/08/52/90/209085290.db2.gz HGSIWNYOIHMVID-HNNXBMFYSA-N 1 0 317.345 1.470 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000417172969 225232392 /nfs/dbraw/zinc/23/23/92/225232392.db2.gz GPFKPCORINCVJP-QWRGUYRKSA-N 1 0 322.365 1.482 20 5 DDBDRO [NH3+][C@H]1CCC[C@@H](NC(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000417930068 225507296 /nfs/dbraw/zinc/50/72/96/225507296.db2.gz AXEVGXFPBFMPOP-QWHCGFSZSA-N 1 0 306.366 1.706 20 5 DDBDRO [NH3+]C[C@@H]1CC[C@H](NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000420445439 226497700 /nfs/dbraw/zinc/49/77/00/226497700.db2.gz AIKXFIGHCCXNED-PWSUYJOCSA-N 1 0 313.379 1.142 20 5 DDBDRO O=C1NC(=O)[C@@H]2C[N@H+](C/C=C/c3ccccc3[N+](=O)[O-])CC[C@@H]12 ZINC000366571587 418492641 /nfs/dbraw/zinc/49/26/41/418492641.db2.gz XVCOUZARXKHXIS-UXOHQCDBSA-N 1 0 315.329 1.203 20 5 DDBDRO COc1cc(OCC(=O)NC[C@@H]2CCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000195187013 418554954 /nfs/dbraw/zinc/55/49/54/418554954.db2.gz VEQLIKBXTPNMSS-NSHDSACASA-N 1 0 323.349 1.193 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@@H]2C2CC[NH2+]CC2)c1 ZINC000361081292 418579497 /nfs/dbraw/zinc/57/94/97/418579497.db2.gz QQNSVGOTLNXFSP-OCCSQVGLSA-N 1 0 319.361 1.721 20 5 DDBDRO O=C(N[C@H]1C[C@@H]1C1CC[NH2+]CC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000361079585 418578403 /nfs/dbraw/zinc/57/84/03/418578403.db2.gz LOFFJKVUGNBMNR-KGLIPLIRSA-N 1 0 307.325 1.852 20 5 DDBDRO C[N@@H+]1CC[C@H]2CCN(c3ccc([N+](=O)[O-])c4nonc43)C[C@H]21 ZINC000375050721 418596065 /nfs/dbraw/zinc/59/60/65/418596065.db2.gz SFDVBJDHPQAUOU-JOYOIKCWSA-N 1 0 303.322 1.661 20 5 DDBDRO O=[N+]([O-])c1cc2c(ncnc2N2CC[NH+]3CCC2CC3)s1 ZINC000367828915 418641015 /nfs/dbraw/zinc/64/10/15/418641015.db2.gz VTFLBUGDQQUEBV-UHFFFAOYSA-N 1 0 305.363 1.884 20 5 DDBDRO Cc1cc(C(=O)N2CC[C@@]3(CCC[C@@H]3[NH3+])C2)c(N)c([N+](=O)[O-])c1 ZINC000375458997 418642256 /nfs/dbraw/zinc/64/22/56/418642256.db2.gz RXCADTMYOXMLAJ-BBRMVZONSA-N 1 0 318.377 1.829 20 5 DDBDRO CC1(C)[C@@H](O)CC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000361414270 418647996 /nfs/dbraw/zinc/64/79/96/418647996.db2.gz ILSFYHKNTIMSRU-FZMZJTMJSA-N 1 0 310.350 1.180 20 5 DDBDRO O=[N+]([O-])c1cccc2ncnc(NCC[NH+]3CCCCC3)c21 ZINC000347402006 418639109 /nfs/dbraw/zinc/63/91/09/418639109.db2.gz FQEISXTUTMXWJV-UHFFFAOYSA-N 1 0 301.350 2.436 20 5 DDBDRO COC(=O)C[C@]1([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CCOC1 ZINC000361740268 418704078 /nfs/dbraw/zinc/70/40/78/418704078.db2.gz HDMAIKLHBFDECB-MQDFFIGUSA-N 1 0 320.345 1.920 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](CC[NH3+])C(F)F ZINC000383299783 418733419 /nfs/dbraw/zinc/73/34/19/418733419.db2.gz NJPVKHLMORJBGQ-VIFPVBQESA-N 1 0 323.321 1.164 20 5 DDBDRO CC(C)[N@H+](C)C[C@H](O)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000386438226 418740276 /nfs/dbraw/zinc/74/02/76/418740276.db2.gz PIWDYMCHBBJYFG-QMMMGPOBSA-N 1 0 321.175 1.255 20 5 DDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000422836716 227208711 /nfs/dbraw/zinc/20/87/11/227208711.db2.gz RVLOMRNSYAKIQJ-LBPRGKRZSA-N 1 0 306.366 1.814 20 5 DDBDRO CN(C(=O)COc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[NH2+]CC1 ZINC000364668040 418797817 /nfs/dbraw/zinc/79/78/17/418797817.db2.gz UXHVXYZCCVUPLF-GFCCVEGCSA-N 1 0 307.350 1.574 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H](O)CCOC(C)C ZINC000571874670 304491715 /nfs/dbraw/zinc/49/17/15/304491715.db2.gz CIOPYDWNAXVKNJ-AWEZNQCLSA-N 1 0 312.366 1.869 20 5 DDBDRO CCC[N@@H+]1CCCN(C(=O)c2[nH]nc(CC)c2[N+](=O)[O-])CC1 ZINC000365417814 418858524 /nfs/dbraw/zinc/85/85/24/418858524.db2.gz BVNCIQQSPXFFRU-UHFFFAOYSA-N 1 0 309.370 1.438 20 5 DDBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000372351425 418860613 /nfs/dbraw/zinc/86/06/13/418860613.db2.gz RXXQAWZWGBXOIU-NWANDNLSSA-N 1 0 321.377 1.502 20 5 DDBDRO C[NH+]1CCC(Oc2ccc(NC(=O)[C@H]3CC3[N+](=O)[O-])cn2)CC1 ZINC000372212495 418845311 /nfs/dbraw/zinc/84/53/11/418845311.db2.gz ZREJWWHQHYLMBE-QWHCGFSZSA-N 1 0 320.349 1.158 20 5 DDBDRO COc1cc(C(=O)N(C)[C@H](C[NH3+])C2CC2)cc([N+](=O)[O-])c1OC ZINC000423965259 227829352 /nfs/dbraw/zinc/82/93/52/227829352.db2.gz XZBQTLZQADMKOI-GFCCVEGCSA-N 1 0 323.349 1.421 20 5 DDBDRO C[C@H]1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)C[C@H]1C[NH3+] ZINC000424016178 227861300 /nfs/dbraw/zinc/86/13/00/227861300.db2.gz NPDJSFJAUUBPDM-NWDGAFQWSA-N 1 0 307.350 1.417 20 5 DDBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N1CCC2(CC[NH2+]2)CC1 ZINC000424054737 228223528 /nfs/dbraw/zinc/22/35/28/228223528.db2.gz QMIRIRNRFORHQY-UHFFFAOYSA-N 1 0 319.361 1.718 20 5 DDBDRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000417943784 419406752 /nfs/dbraw/zinc/40/67/52/419406752.db2.gz PDRABZDQBCPPKJ-TZMCWYRMSA-N 1 0 320.393 1.906 20 5 DDBDRO CC(C)[N@H+](CCOc1ccccc1[N+](=O)[O-])C[C@H]1CCC(=O)N1 ZINC000412093747 419653993 /nfs/dbraw/zinc/65/39/93/419653993.db2.gz WPIXOVYHDZAWFK-CYBMUJFWSA-N 1 0 321.377 1.963 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCCN1CCOC[C@@H]1C ZINC000421764709 419718215 /nfs/dbraw/zinc/71/82/15/419718215.db2.gz WNTOXAFJIXQZAW-ZDUSSCGKSA-N 1 0 321.377 1.662 20 5 DDBDRO CN(C(=O)CN1CC[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc([N+](=O)[O-])cc1 ZINC000430572277 228926679 /nfs/dbraw/zinc/92/66/79/228926679.db2.gz FEJIRHMVFIDLDK-OLZOCXBDSA-N 1 0 318.377 1.384 20 5 DDBDRO O=C(CCN1CC[C@H]2[NH2+]CC[C@@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000428035318 419795634 /nfs/dbraw/zinc/79/56/34/419795634.db2.gz PMQMAVSBABTACJ-CHWSQXEVSA-N 1 0 318.377 1.607 20 5 DDBDRO COc1cc(CN[C@@H]2CCC[C@H]([NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000414935424 419881845 /nfs/dbraw/zinc/88/18/45/419881845.db2.gz YLVDDPWAYQVLDL-NWDGAFQWSA-N 1 0 309.366 1.972 20 5 DDBDRO COc1cc(CN[C@H]2CC[NH2+]C[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000414962920 419897154 /nfs/dbraw/zinc/89/71/54/419897154.db2.gz SYSCDVJLGFCTJI-PWSUYJOCSA-N 1 0 309.366 1.700 20 5 DDBDRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000418609723 419900256 /nfs/dbraw/zinc/90/02/56/419900256.db2.gz DVYKQJRFPDQWLS-NHYWBVRUSA-N 1 0 318.377 1.661 20 5 DDBDRO CC(C)(CC[NH3+])NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000422551495 419958824 /nfs/dbraw/zinc/95/88/24/419958824.db2.gz NPSYJGPCUCKPHR-UHFFFAOYSA-N 1 0 315.395 1.184 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000429493984 420020293 /nfs/dbraw/zinc/02/02/93/420020293.db2.gz SPACUFBQDUTNHT-JTQLQIEISA-N 1 0 317.349 1.436 20 5 DDBDRO [NH3+][C@H](C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)C1CCC1 ZINC000423418536 420045945 /nfs/dbraw/zinc/04/59/45/420045945.db2.gz UUPIIVIABIBYMX-RISCZKNCSA-N 1 0 319.365 1.130 20 5 DDBDRO C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000415510791 420095396 /nfs/dbraw/zinc/09/53/96/420095396.db2.gz ZRUWTWQBJKSRJG-BXKDBHETSA-N 1 0 308.338 1.829 20 5 DDBDRO CNC(=O)[C@@]1(C)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430284999 420103611 /nfs/dbraw/zinc/10/36/11/420103611.db2.gz QHLGQCIPZHWLAN-HNNXBMFYSA-N 1 0 307.350 1.561 20 5 DDBDRO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000423719028 420141056 /nfs/dbraw/zinc/14/10/56/420141056.db2.gz DUVLTZLWOIJGLT-ONGXEEELSA-N 1 0 303.322 1.798 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000415492295 420088276 /nfs/dbraw/zinc/08/82/76/420088276.db2.gz BPLWMKCNLPMTAQ-BXKDBHETSA-N 1 0 308.338 1.723 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000430954901 420222511 /nfs/dbraw/zinc/22/25/11/420222511.db2.gz YATKDAYAUJMULV-BETUJISGSA-N 1 0 320.393 1.914 20 5 DDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430968239 420229207 /nfs/dbraw/zinc/22/92/07/420229207.db2.gz WGKHPBMPFYKHBO-JTNHKYCSSA-N 1 0 306.366 1.591 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H]([NH3+])[C@@H]2C)c1C ZINC000420416955 420272729 /nfs/dbraw/zinc/27/27/29/420272729.db2.gz BIBFBSREKOZMRI-QWRGUYRKSA-N 1 0 313.379 1.322 20 5 DDBDRO CC(C)(C)[C@@H](C[NH3+])NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000423959074 420284405 /nfs/dbraw/zinc/28/44/05/420284405.db2.gz RCQPTLPBJCXXGR-LLVKDONJSA-N 1 0 305.338 1.574 20 5 DDBDRO C[NH+](C)C1(CNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000416303013 420319596 /nfs/dbraw/zinc/31/95/96/420319596.db2.gz QFQUKTVWOQTJHP-UHFFFAOYSA-N 1 0 303.322 1.295 20 5 DDBDRO CC[C@H]([NH3+])CNC(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-] ZINC000417717129 420459028 /nfs/dbraw/zinc/45/90/28/420459028.db2.gz MPIXWRLFWIPPHX-LBPRGKRZSA-N 1 0 323.397 1.742 20 5 DDBDRO C[C@@H]1CN(C(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000493086671 420754132 /nfs/dbraw/zinc/75/41/32/420754132.db2.gz ADOJPIGHSMAIRZ-FOYPTKHBSA-N 1 0 307.325 1.956 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1C[C@H](C[NH3+])C[C@H]1C ZINC000442791001 420714454 /nfs/dbraw/zinc/71/44/54/420714454.db2.gz MYKHBLNOFQWVGK-NEPJUHHUSA-N 1 0 306.366 1.511 20 5 DDBDRO CN1CCC[C@@H]1C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447562776 420782410 /nfs/dbraw/zinc/78/24/10/420782410.db2.gz NBKUJHWAJQTXOG-MGPQQGTHSA-N 1 0 307.398 1.959 20 5 DDBDRO CN1CCC[C@@H]1C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447562774 420783127 /nfs/dbraw/zinc/78/31/27/420783127.db2.gz NBKUJHWAJQTXOG-HZSPNIEDSA-N 1 0 307.398 1.959 20 5 DDBDRO Cn1ccc(CC[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)n1 ZINC000447600801 420785788 /nfs/dbraw/zinc/78/57/88/420785788.db2.gz NRWFQEOALZOXED-ZIAGYGMSSA-N 1 0 318.381 1.841 20 5 DDBDRO O=C(/C=C\c1ccc(F)cc1[N+](=O)[O-])NC[C@H]1CCC[NH2+]C1 ZINC000493673886 420912554 /nfs/dbraw/zinc/91/25/54/420912554.db2.gz NCRIMMULZWVRKN-QZPNVGJNSA-N 1 0 307.325 1.863 20 5 DDBDRO O=[N+]([O-])c1ccc(OCC[NH2+]C2(CO)CCSCC2)cc1 ZINC000459708970 420853737 /nfs/dbraw/zinc/85/37/37/420853737.db2.gz KAIQKVFFGLDGBH-UHFFFAOYSA-N 1 0 312.391 1.821 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C1(CO)CCSCC1 ZINC000459718455 420857250 /nfs/dbraw/zinc/85/72/50/420857250.db2.gz UYFFIJXRKKOHSI-UHFFFAOYSA-N 1 0 312.391 1.951 20 5 DDBDRO CCNC(=O)N1CC[C@@H]([NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000449188067 420966975 /nfs/dbraw/zinc/96/69/75/420966975.db2.gz RMKPWXKOOQADPR-TZMCWYRMSA-N 1 0 320.393 1.919 20 5 DDBDRO CNc1nc(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000454921241 420943412 /nfs/dbraw/zinc/94/34/12/420943412.db2.gz IIBVGGFIJGPVST-SNVBAGLBSA-N 1 0 319.365 1.246 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCN1CCC(O)CC1 ZINC000449090842 420946276 /nfs/dbraw/zinc/94/62/76/420946276.db2.gz HQIFOLDDSJBVQI-CQSZACIVSA-N 1 0 321.421 1.962 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000449670468 421054630 /nfs/dbraw/zinc/05/46/30/421054630.db2.gz ZWOGIEJGLIORTL-JTQLQIEISA-N 1 0 300.265 1.025 20 5 DDBDRO CNc1nc(C(=O)N[C@@H]2CCC[N@H+](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000456017550 421089385 /nfs/dbraw/zinc/08/93/85/421089385.db2.gz ZBKHHBNCDGUFIE-NXEZZACHSA-N 1 0 307.354 1.244 20 5 DDBDRO CN(CC(=O)N[C@H]1CC[NH2+]C1(C)C)c1ccccc1[N+](=O)[O-] ZINC000449749753 421074372 /nfs/dbraw/zinc/07/43/72/421074372.db2.gz GXWSESDHMBDXMH-ZDUSSCGKSA-N 1 0 306.366 1.288 20 5 DDBDRO Cc1nn(C)c(C(=O)N2CC[N@H+](C)[C@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000489329048 421147615 /nfs/dbraw/zinc/14/76/15/421147615.db2.gz NNAFKHSEWHBWFH-NSHDSACASA-N 1 0 309.370 1.049 20 5 DDBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC000525727208 421298661 /nfs/dbraw/zinc/29/86/61/421298661.db2.gz LBNDHBZBLDHKDG-LBPRGKRZSA-N 1 0 308.382 1.737 20 5 DDBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC000560975078 421301343 /nfs/dbraw/zinc/30/13/43/421301343.db2.gz HLYCAGVNMRDIJF-IJLUTSLNSA-N 1 0 321.381 1.795 20 5 DDBDRO CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000548125582 421404056 /nfs/dbraw/zinc/40/40/56/421404056.db2.gz XLDPXAYESZUCKX-ZDUSSCGKSA-N 1 0 323.397 1.514 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CC[C@H]3CCC[NH2+]C3)CC2)cn1 ZINC000562834780 421421375 /nfs/dbraw/zinc/42/13/75/421421375.db2.gz UZFIGTHDJAZCNX-CQSZACIVSA-N 1 0 319.409 1.502 20 5 DDBDRO CNc1ccc(C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000563089208 421454106 /nfs/dbraw/zinc/45/41/06/421454106.db2.gz YGSAKPXBEBOEBM-NEPJUHHUSA-N 1 0 304.350 1.461 20 5 DDBDRO C[N@@H+]1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000551038781 421526407 /nfs/dbraw/zinc/52/64/07/421526407.db2.gz DDKKBKYNUHRGHA-ZDUSSCGKSA-N 1 0 323.393 1.361 20 5 DDBDRO CN(Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)[C@@H]1CC[NH2+]C1 ZINC000563129834 421461340 /nfs/dbraw/zinc/46/13/40/421461340.db2.gz AKCLPZFTIKSJOX-OAHLLOKOSA-N 1 0 315.377 1.789 20 5 DDBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000514923843 421466263 /nfs/dbraw/zinc/46/62/63/421466263.db2.gz ALYKKPQBIZCOQO-MRXNPFEDSA-N 1 0 318.377 1.880 20 5 DDBDRO CO[C@@H]1CC[C@@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000564442311 421587171 /nfs/dbraw/zinc/58/71/71/421587171.db2.gz DSLOVBQAEAAWDT-JHJVBQTASA-N 1 0 310.350 1.492 20 5 DDBDRO CC(C)[N@H+](C)C[C@H](O)CN1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000517041145 421591163 /nfs/dbraw/zinc/59/11/63/421591163.db2.gz HEPDTQQGRJYVKG-AWEZNQCLSA-N 1 0 323.393 1.359 20 5 DDBDRO NC(=O)c1ccc(C[N@@H+]2CCCC[C@@H]2C2(O)CC2)c([N+](=O)[O-])c1 ZINC000516157682 421531361 /nfs/dbraw/zinc/53/13/61/421531361.db2.gz RZKHWDOEDKQMDT-CQSZACIVSA-N 1 0 319.361 1.573 20 5 DDBDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 ZINC000519823057 421732473 /nfs/dbraw/zinc/73/24/73/421732473.db2.gz NCBMCILWCBQUJP-NXEZZACHSA-N 1 0 321.333 1.175 20 5 DDBDRO CC(C)C[C@@H]([NH3+])CN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000556926218 421751452 /nfs/dbraw/zinc/75/14/52/421751452.db2.gz OIWISTAQGVSVCH-CYBMUJFWSA-N 1 0 307.398 1.485 20 5 DDBDRO C[NH2+][C@H](C)Cc1noc(Cc2ccc(OC)c([N+](=O)[O-])c2)n1 ZINC000571999822 421758417 /nfs/dbraw/zinc/75/84/17/421758417.db2.gz LCJAFPVPBUDBMD-SECBINFHSA-N 1 0 306.322 1.728 20 5 DDBDRO C[C@@H]1CC[N@H+](CC(=O)NCCNc2ccccc2[N+](=O)[O-])C1 ZINC000557418462 421770143 /nfs/dbraw/zinc/77/01/43/421770143.db2.gz CSFQOPXABYETIL-GFCCVEGCSA-N 1 0 306.366 1.465 20 5 DDBDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC000521144115 421774557 /nfs/dbraw/zinc/77/45/57/421774557.db2.gz TYNOLPDMRHQNHS-GFCCVEGCSA-N 1 0 308.382 1.784 20 5 DDBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000521500316 421790881 /nfs/dbraw/zinc/79/08/81/421790881.db2.gz IODUYKAPUUEBDP-SNVBAGLBSA-N 1 0 323.349 1.784 20 5 DDBDRO C[C@H](O)[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000543141263 421833979 /nfs/dbraw/zinc/83/39/79/421833979.db2.gz USEHCVPIPDLEBB-BFHYXJOUSA-N 1 0 324.377 1.427 20 5 DDBDRO Cc1ccc(S(=O)(=O)NCC2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000574451844 422110797 /nfs/dbraw/zinc/11/07/97/422110797.db2.gz QCYPIXKQMNIGMW-UHFFFAOYSA-N 1 0 313.379 1.181 20 5 DDBDRO COCC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])c(OC(C)C)n2)C1 ZINC000576767207 422377273 /nfs/dbraw/zinc/37/72/73/422377273.db2.gz IADUOLKKZAONQL-LBPRGKRZSA-N 1 0 324.381 1.910 20 5 DDBDRO C[C@H](C[NH3+])NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000165896467 274483804 /nfs/dbraw/zinc/48/38/04/274483804.db2.gz GDEJVZUBTWWZRI-ZCFIWIBFSA-N 1 0 302.128 1.434 20 5 DDBDRO CC[NH+](CC)C[C@H](C)NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000341712104 271181628 /nfs/dbraw/zinc/18/16/28/271181628.db2.gz ZPKFHEDJFANHJI-LBPRGKRZSA-N 1 0 309.366 1.820 20 5 DDBDRO [NH3+]C1(CNC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CCC1 ZINC000342591189 271457777 /nfs/dbraw/zinc/45/77/77/271457777.db2.gz PBPUGLJSZGURRJ-UHFFFAOYSA-N 1 0 315.333 1.392 20 5 DDBDRO COCC[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000273959482 274026964 /nfs/dbraw/zinc/02/69/64/274026964.db2.gz FPLHIAZRHDZEGU-UHFFFAOYSA-N 1 0 319.365 1.630 20 5 DDBDRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000423587179 274605465 /nfs/dbraw/zinc/60/54/65/274605465.db2.gz DTKPCHGAJFTUPG-GXFFZTMASA-N 1 0 314.345 1.871 20 5 DDBDRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000299569158 277056546 /nfs/dbraw/zinc/05/65/46/277056546.db2.gz TWYBBGBPBNPAGH-OAHLLOKOSA-N 1 0 318.377 1.338 20 5 DDBDRO C[N@@H+]1CCO[C@H]2CCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)C[C@H]21 ZINC000284887871 277129972 /nfs/dbraw/zinc/12/99/72/277129972.db2.gz GWNNXUMCCNJIDR-KGLIPLIRSA-N 1 0 317.349 1.380 20 5 DDBDRO C[NH2+][C@@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C)C1 ZINC000053202807 277295007 /nfs/dbraw/zinc/29/50/07/277295007.db2.gz XFTHIOIIQLGUEV-LLVKDONJSA-N 1 0 313.379 1.276 20 5 DDBDRO O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CC[NH2+]CC1 ZINC000237883490 280187808 /nfs/dbraw/zinc/18/78/08/280187808.db2.gz IUBWIQJUPREORP-UHFFFAOYSA-N 1 0 304.350 1.240 20 5 DDBDRO Cc1ccc(NCCCNC(=O)N[C@H](C)C[NH3+])c([N+](=O)[O-])c1 ZINC000417720294 280915368 /nfs/dbraw/zinc/91/53/68/280915368.db2.gz RLAKKJVUGUYXMM-LLVKDONJSA-N 1 0 309.370 1.352 20 5 DDBDRO C[NH2+]C[C@H]1CCCN1S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000124848274 281195976 /nfs/dbraw/zinc/19/59/76/281195976.db2.gz BCHQHFZJXJGVMR-LLVKDONJSA-N 1 0 313.379 1.276 20 5 DDBDRO Cc1cc(C[NH+](C)C)cc(NC(=O)c2c([N+](=O)[O-])cnn2C)c1 ZINC000129892525 281360754 /nfs/dbraw/zinc/36/07/54/281360754.db2.gz DRNQTXYAXKCONA-UHFFFAOYSA-N 1 0 317.349 1.951 20 5 DDBDRO C[C@H]([NH2+]C[C@H]1CC[C@@H](C(=O)N(C)C)O1)c1cccc([N+](=O)[O-])c1 ZINC000246089357 281951010 /nfs/dbraw/zinc/95/10/10/281951010.db2.gz WKOIZPZWYRYMBU-GLQYFDAESA-N 1 0 321.377 1.881 20 5 DDBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)c3cc(F)ccc3[N+](=O)[O-])C[C@@H]21 ZINC000262041421 295309112 /nfs/dbraw/zinc/30/91/12/295309112.db2.gz BXBIDYOROUCOBG-JIMOISOXSA-N 1 0 307.325 1.933 20 5 DDBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000357303142 299005558 /nfs/dbraw/zinc/00/55/58/299005558.db2.gz FYIURWOZJCBWSO-WQGACYEGSA-N 1 0 321.377 1.866 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000364037511 300336880 /nfs/dbraw/zinc/33/68/80/300336880.db2.gz AUDMSVYTBQDMMM-CHWSQXEVSA-N 1 0 321.381 1.233 20 5 DDBDRO CN(C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)C(=O)[C@H]1C[C@@H]1[N+](=O)[O-] ZINC000364173982 300353632 /nfs/dbraw/zinc/35/36/32/300353632.db2.gz KKHOUPHJNCJFPF-AJNGGQMLSA-N 1 0 318.377 1.198 20 5 DDBDRO CC(C)(O)C[N@@H+]1CCCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000364264770 300364655 /nfs/dbraw/zinc/36/46/55/300364655.db2.gz OQADNCCOVMERCJ-UHFFFAOYSA-N 1 0 307.394 1.873 20 5 DDBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000366458438 300699460 /nfs/dbraw/zinc/69/94/60/300699460.db2.gz DDVVSUJSXXUVII-WBSOJBIMSA-N 1 0 301.346 1.818 20 5 DDBDRO O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000368386617 301016542 /nfs/dbraw/zinc/01/65/42/301016542.db2.gz YTTQOWBVXJXLET-BCBDKAHJSA-N 1 0 301.346 1.818 20 5 DDBDRO C[C@@H](c1cnccn1)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000369681556 301211803 /nfs/dbraw/zinc/21/18/03/301211803.db2.gz NFDVPRKXKOICIC-NSHDSACASA-N 1 0 302.338 1.979 20 5 DDBDRO Cc1nc(N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)ccc1[N+](=O)[O-] ZINC000370531115 301358054 /nfs/dbraw/zinc/35/80/54/301358054.db2.gz LTLVIPTULPZNOD-KBPBESRZSA-N 1 0 306.366 1.334 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@@H]([NH3+])C2)c1C ZINC000122440031 301858152 /nfs/dbraw/zinc/85/81/52/301858152.db2.gz WWPVARPOXZAUQU-LLVKDONJSA-N 1 0 313.379 1.323 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C[C@@H]2CCCS2)c1 ZINC000515467239 302776291 /nfs/dbraw/zinc/77/62/91/302776291.db2.gz UQJQJBHOGQEGTC-JSGCOSHPSA-N 1 0 312.391 1.820 20 5 DDBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532140710 303276572 /nfs/dbraw/zinc/27/65/72/303276572.db2.gz RZPWBCMYSSKWNN-RYUDHWBXSA-N 1 0 306.366 1.840 20 5 DDBDRO COc1ccc(C[NH2+]C(C)(C)CS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000358252946 306936414 /nfs/dbraw/zinc/93/64/14/306936414.db2.gz FVUDIKCROXBAMV-UHFFFAOYSA-N 1 0 316.379 1.516 20 5 DDBDRO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000363593318 307032239 /nfs/dbraw/zinc/03/22/39/307032239.db2.gz XYTZNWXWUQWIMD-ZIAGYGMSSA-N 1 0 321.381 1.267 20 5 DDBDRO COc1cccc(N2CCCN(CC[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000364900486 307053124 /nfs/dbraw/zinc/05/31/24/307053124.db2.gz LPZNFLRNDBYHJP-UHFFFAOYSA-N 1 0 322.409 1.677 20 5 DDBDRO C[N@@H+]1CCCC12CCN(C(=O)c1cccc([N+](=O)[O-])c1N)CC2 ZINC000364912870 307053813 /nfs/dbraw/zinc/05/38/13/307053813.db2.gz BWGRXZXANJIQCX-UHFFFAOYSA-N 1 0 318.377 1.877 20 5 DDBDRO C[NH+](C)[C@@H]1CCCN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000365307847 307064176 /nfs/dbraw/zinc/06/41/76/307064176.db2.gz KEMJTXQDUAUDOH-GFCCVEGCSA-N 1 0 309.370 1.124 20 5 DDBDRO C[C@H]1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC12CCC2 ZINC000371440809 307149766 /nfs/dbraw/zinc/14/97/66/307149766.db2.gz UIFZCKVGGOWFDQ-JSGCOSHPSA-N 1 0 308.382 1.664 20 5 DDBDRO CNC(=O)c1ccc(NC[C@@H]2CC[N@@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000391175259 307294209 /nfs/dbraw/zinc/29/42/09/307294209.db2.gz HRPZVBSLVSJZTF-NSHDSACASA-N 1 0 318.377 1.851 20 5 DDBDRO CC(C)O[C@@H]1CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000564915081 308011898 /nfs/dbraw/zinc/01/18/98/308011898.db2.gz AUPUACRPYZFQNR-UONOGXRCSA-N 1 0 324.377 1.834 20 5 DDBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@H](N3CCOCC3)C2)c1 ZINC000565174950 308023324 /nfs/dbraw/zinc/02/33/24/308023324.db2.gz UPIYRRWJLWRCIX-INIZCTEOSA-N 1 0 305.378 1.891 20 5 DDBDRO C[C@@H]([NH3+])[C@H](C)NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000567110034 308072021 /nfs/dbraw/zinc/07/20/21/308072021.db2.gz NWJYPVTXGRKQNG-SFYZADRCSA-N 1 0 304.306 1.314 20 5 DDBDRO COc1ccc(CC(=O)N2CC[NH2+][C@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000567915693 308099494 /nfs/dbraw/zinc/09/94/94/308099494.db2.gz DOTVVMYDAKMFKQ-GHMZBOCLSA-N 1 0 307.350 1.355 20 5 DDBDRO COc1ccc(CC(=O)N2CCC([C@H](C)[NH3+])CC2)cc1[N+](=O)[O-] ZINC000569692068 308146151 /nfs/dbraw/zinc/14/61/51/308146151.db2.gz XTQSQLYNCCQEEX-NSHDSACASA-N 1 0 321.377 1.732 20 5 DDBDRO C[C@@H](NC(=O)NCc1cccc([N+](=O)[O-])c1)[C@H]1CCC[NH2+]C1 ZINC000570813123 308181361 /nfs/dbraw/zinc/18/13/61/308181361.db2.gz BUKIJVBKOWMJSN-YPMHNXCESA-N 1 0 306.366 1.782 20 5 DDBDRO COc1cccc(C(=O)NC[C@@H](C)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000571487502 308196317 /nfs/dbraw/zinc/19/63/17/308196317.db2.gz PNEWPAPUCPERFZ-LLVKDONJSA-N 1 0 307.350 1.818 20 5 DDBDRO C[C@@H]1CCCC[C@H]1CC[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000573713508 308250286 /nfs/dbraw/zinc/25/02/86/308250286.db2.gz WRFJRCBDYQOAIN-IPYPFGDCSA-N 1 0 310.398 1.958 20 5 DDBDRO C[C@H]1CN(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)[C@@H](C)C[NH2+]1 ZINC000577354987 308381000 /nfs/dbraw/zinc/38/10/00/308381000.db2.gz XFGBMCRAKXVYLJ-RYUDHWBXSA-N 1 0 322.365 1.365 20 5 DDBDRO CC(C)CC1(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCC1 ZINC000580435283 308604634 /nfs/dbraw/zinc/60/46/34/308604634.db2.gz RRZLBGKXKGLHIY-AWEZNQCLSA-N 1 0 310.398 1.958 20 5 DDBDRO C[NH+](C)C[C@H](O)CN[C@@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000584118269 331835738 /nfs/dbraw/zinc/83/57/38/331835738.db2.gz PHKUMBRGCQCDAC-NEPJUHHUSA-N 1 0 321.299 1.710 20 5 DDBDRO COC(=O)c1cc(NC(=O)N[C@@H]2CC[NH2+]C2)c(C)c([N+](=O)[O-])c1 ZINC000415598093 533876617 /nfs/dbraw/zinc/87/66/17/533876617.db2.gz KCXFWHGDFGJAHX-SNVBAGLBSA-N 1 0 322.321 1.173 20 5 DDBDRO COc1ccc(NC(=O)C[NH2+][C@]2(C)CCO[C@@H]2C)c([N+](=O)[O-])c1 ZINC000494242319 534083118 /nfs/dbraw/zinc/08/31/18/534083118.db2.gz RMXAXPQPAWAFPW-MEBBXXQBSA-N 1 0 323.349 1.699 20 5 DDBDRO COc1ccc(NC(=O)N[C@@H]2CCCC[C@H]2[NH3+])cc1[N+](=O)[O-] ZINC000424417865 534133662 /nfs/dbraw/zinc/13/36/62/534133662.db2.gz OVZIVDZCBFWPBT-GHMZBOCLSA-N 1 0 308.338 1.995 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@@H](C)C[NH+](C)C)c1 ZINC000293764623 534330047 /nfs/dbraw/zinc/33/00/47/534330047.db2.gz NCYQWKKUXIBSSY-CYBMUJFWSA-N 1 0 323.393 1.986 20 5 DDBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000417234147 534461990 /nfs/dbraw/zinc/46/19/90/534461990.db2.gz PIZOWCAQXRNKEN-KGLIPLIRSA-N 1 0 318.377 1.388 20 5 DDBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)NCC1=CC[NH2+]CC1 ZINC000417237478 534463107 /nfs/dbraw/zinc/46/31/07/534463107.db2.gz WUHTURZCSBSWJI-UHFFFAOYSA-N 1 0 304.350 1.356 20 5 DDBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000417226048 534463228 /nfs/dbraw/zinc/46/32/28/534463228.db2.gz KDJQIXFPILINDN-ZIAGYGMSSA-N 1 0 318.377 1.388 20 5 DDBDRO CCCC[C@H]([NH3+])C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000154584288 521203413 /nfs/dbraw/zinc/20/34/13/521203413.db2.gz RPQBQYRNKOKQCC-AAEUAGOBSA-N 1 0 321.381 1.520 20 5 DDBDRO CC(C)(C)OC(=O)[C@]1(C)CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000459575336 526525868 /nfs/dbraw/zinc/52/58/68/526525868.db2.gz FJAAWLOTPGMXLO-OAHLLOKOSA-N 1 0 324.381 1.845 20 5 DDBDRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000158397177 527210921 /nfs/dbraw/zinc/21/09/21/527210921.db2.gz AHWGPOIKBLMUSP-JOYOIKCWSA-N 1 0 317.349 1.718 20 5 DDBDRO O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CC[NH2+]CC1 ZINC000238150565 527359161 /nfs/dbraw/zinc/35/91/61/527359161.db2.gz NBEZPHCGBCDWQB-UHFFFAOYSA-N 1 0 321.380 1.587 20 5 DDBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000330871263 527845839 /nfs/dbraw/zinc/84/58/39/527845839.db2.gz XSUDTOOPBUQWDR-LLVKDONJSA-N 1 0 321.381 1.376 20 5 DDBDRO CC[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@H](C)CO ZINC000292386971 527900379 /nfs/dbraw/zinc/90/03/79/527900379.db2.gz ZLZULTAGWZBONX-LLVKDONJSA-N 1 0 307.350 1.187 20 5 DDBDRO CCOC(=O)c1cc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)[nH]c1C ZINC000295604128 528169399 /nfs/dbraw/zinc/16/93/99/528169399.db2.gz FVGZSHAKUNGFOF-UHFFFAOYSA-N 1 0 321.337 1.394 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCC(C[NH3+])CC1 ZINC000422732163 528692635 /nfs/dbraw/zinc/69/26/35/528692635.db2.gz PHFJBZJTPQEELW-UHFFFAOYSA-N 1 0 307.350 1.804 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@H]([NH2+]C)C1 ZINC000422773686 528692692 /nfs/dbraw/zinc/69/26/92/528692692.db2.gz UPAXFPYAUOBGQK-NSHDSACASA-N 1 0 307.350 1.818 20 5 DDBDRO CC(C)[C@H]([NH3+])CNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000429157244 529067579 /nfs/dbraw/zinc/06/75/79/529067579.db2.gz AAGCSOURUSQROP-CYBMUJFWSA-N 1 0 317.349 1.494 20 5 DDBDRO CC1(C)C[NH2+]CC[C@H]1NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000449702640 529130154 /nfs/dbraw/zinc/13/01/54/529130154.db2.gz ZNBCSUGBNPCJBD-CYBMUJFWSA-N 1 0 307.350 1.478 20 5 DDBDRO COc1ccc(C[NH2+][C@@H](C)[C@@H](CO)SC)cc1[N+](=O)[O-] ZINC000152489935 536896786 /nfs/dbraw/zinc/89/67/86/536896786.db2.gz FMZUKHWXHQVROQ-TVQRCGJNSA-N 1 0 300.380 1.805 20 5 DDBDRO O=[N+]([O-])c1cc(N2CC[NH+](C3CC3)CC2)ccc1-c1nn[nH]n1 ZINC000826498353 607567631 /nfs/dbraw/zinc/56/76/31/607567631.db2.gz QXZLRRFTDSGCFS-UHFFFAOYSA-N 1 0 315.337 1.059 20 5 DDBDRO COCC(C)(C)[NH+]1CCN(c2cc(N)c([N+](=O)[O-])cn2)CC1 ZINC001120857596 782190254 /nfs/dbraw/zinc/19/02/54/782190254.db2.gz IFAGFHFLJRHJTC-UHFFFAOYSA-N 1 0 309.370 1.119 20 5 DDBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CC[NH2+]C1 ZINC000123176837 696729272 /nfs/dbraw/zinc/72/92/72/696729272.db2.gz QNQCTSMWWNXIAA-MRVPVSSYSA-N 1 0 319.770 1.197 20 5 DDBDRO C[NH+]1CCC(NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000124612756 696744472 /nfs/dbraw/zinc/74/44/72/696744472.db2.gz FITSERDDUVMOIW-UHFFFAOYSA-N 1 0 311.313 1.323 20 5 DDBDRO CC(C)CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC000981763301 696906525 /nfs/dbraw/zinc/90/65/25/696906525.db2.gz GFPXZVZKXXYIDP-ZIAGYGMSSA-N 1 0 309.410 1.622 20 5 DDBDRO C[C@@H]([NH2+]CCC(=O)N1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000159256320 697308827 /nfs/dbraw/zinc/30/88/27/697308827.db2.gz LTBUZKBAHFSUIP-GFCCVEGCSA-N 1 0 307.350 1.494 20 5 DDBDRO C[N@H+](Cc1ccccn1)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000985431193 697510084 /nfs/dbraw/zinc/51/00/84/697510084.db2.gz NGHHDTFIOPVPPU-HUUCEWRRSA-N 1 0 318.377 1.170 20 5 DDBDRO CNC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000775032278 697956411 /nfs/dbraw/zinc/95/64/11/697956411.db2.gz GJDKUCVKOVGYKY-NWDGAFQWSA-N 1 0 322.321 1.507 20 5 DDBDRO COC(=O)N1CCC([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000777446143 698191326 /nfs/dbraw/zinc/19/13/26/698191326.db2.gz VTLMFKOHXQFMNB-CQSZACIVSA-N 1 0 323.349 1.449 20 5 DDBDRO COCCO[C@H]1CCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000245923262 698341009 /nfs/dbraw/zinc/34/10/09/698341009.db2.gz SYZLMZACQIPKTC-JKSUJKDBSA-N 1 0 324.377 1.756 20 5 DDBDRO CC(C)[C@@H](C[NH+](C)C)NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000778736715 698363694 /nfs/dbraw/zinc/36/36/94/698363694.db2.gz PSRKSBZUVARAEB-LLVKDONJSA-N 1 0 323.349 1.640 20 5 DDBDRO O=[N+]([O-])c1ccc(CN2CC[C@H](N3CC[NH2+]CC3)C2)c(F)c1 ZINC000262438847 698469890 /nfs/dbraw/zinc/46/98/90/698469890.db2.gz GODDMBIPIZXDQC-AWEZNQCLSA-N 1 0 308.357 1.213 20 5 DDBDRO Cc1nn(CN2CC[C@@H](Cc3cnn(C)c3)C2)cc1[N+](=O)[O-] ZINC000779865023 698476337 /nfs/dbraw/zinc/47/63/37/698476337.db2.gz KATDFXIVIBALIU-LBPRGKRZSA-N 1 0 304.354 1.355 20 5 DDBDRO COCCO[C@H]1CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000781961841 698666382 /nfs/dbraw/zinc/66/63/82/698666382.db2.gz JQDUYENKQWAOEK-LSDHHAIUSA-N 1 0 310.350 1.366 20 5 DDBDRO O=C(CCN1CC[C@@]2(CCC[NH2+]2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000420405672 699139394 /nfs/dbraw/zinc/13/93/94/699139394.db2.gz PRXIVPFBPQUYRB-INIZCTEOSA-N 1 0 318.377 1.751 20 5 DDBDRO O=C(COc1ccccc1[N+](=O)[O-])N1CC[C@]2(CCC[NH2+]2)C1 ZINC000424033223 699147862 /nfs/dbraw/zinc/14/78/62/699147862.db2.gz XMPFVIKETKMCDD-OAHLLOKOSA-N 1 0 305.334 1.328 20 5 DDBDRO C[C@H]([NH2+]C[C@H]1CCS(=O)(=O)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788689490 699334605 /nfs/dbraw/zinc/33/46/05/699334605.db2.gz HFZMKHQUPZNRJD-VHSXEESVSA-N 1 0 313.379 1.262 20 5 DDBDRO Cc1cc(C(=O)NC[C@H](C)[NH+]2CCCC2)c(N)c([N+](=O)[O-])c1 ZINC000729520145 699481254 /nfs/dbraw/zinc/48/12/54/699481254.db2.gz OKJCSOSGTPVDFN-NSHDSACASA-N 1 0 306.366 1.700 20 5 DDBDRO COCC[N@@H+]1CC[C@@H](NC(=S)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000730733780 699514740 /nfs/dbraw/zinc/51/47/40/699514740.db2.gz OBFJHKYNSULUQM-GFCCVEGCSA-N 1 0 324.406 1.602 20 5 DDBDRO C[NH+](C)C[C@](C)(O)CNc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000751963329 700331246 /nfs/dbraw/zinc/33/12/46/700331246.db2.gz LRYVGGPKSFVSJN-CYBMUJFWSA-N 1 0 310.379 1.929 20 5 DDBDRO CC(C)[N@H+](CCOCCO)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000801994006 700362847 /nfs/dbraw/zinc/36/28/47/700362847.db2.gz VMODWNSIPHPMNJ-OAHLLOKOSA-N 1 0 312.366 1.348 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[N@H+](C)[C@H](C)C1 ZINC000761075341 700839836 /nfs/dbraw/zinc/83/98/36/700839836.db2.gz FGXWOGKERPBQMX-LLVKDONJSA-N 1 0 322.365 1.178 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](CO)C1CC1 ZINC000771802987 701331640 /nfs/dbraw/zinc/33/16/40/701331640.db2.gz MULMAXVJLPBHHI-CYBMUJFWSA-N 1 0 323.349 1.293 20 5 DDBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](CO)C2CC2)c([N+](=O)[O-])c1 ZINC000771817614 701332955 /nfs/dbraw/zinc/33/29/55/701332955.db2.gz HQVJPHLQMNBDML-ZANVPECISA-N 1 0 323.349 1.291 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NNC(=S)NCCC[NH+](C)C ZINC000806590026 701442319 /nfs/dbraw/zinc/44/23/19/701442319.db2.gz MPRHPBBKEWABKO-UHFFFAOYSA-N 1 0 311.411 1.646 20 5 DDBDRO O=C(NC[C@H]1CCC[N@@H+]1CC1CCCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839669760 701775118 /nfs/dbraw/zinc/77/51/18/701775118.db2.gz DUIBIMZAIFGEDH-RBSFLKMASA-N 1 0 309.410 1.813 20 5 DDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(c2ncc3n2CCCC3)CC1 ZINC000839747879 701808528 /nfs/dbraw/zinc/80/85/28/701808528.db2.gz VERFHRKXJUCBLD-ZIAGYGMSSA-N 1 0 318.377 1.591 20 5 DDBDRO C[C@H](NC(=O)CCOc1ccccc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000868012133 701891794 /nfs/dbraw/zinc/89/17/94/701891794.db2.gz JHZDGGMBROPMKQ-LBPRGKRZSA-N 1 0 321.377 1.868 20 5 DDBDRO CN(C)C(=O)[C@H]1CC[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000840178184 702014682 /nfs/dbraw/zinc/01/46/82/702014682.db2.gz MUJIVPDTSUBCLR-LBPRGKRZSA-N 1 0 317.349 1.312 20 5 DDBDRO CC(C)N(Cn1c(=O)oc2cccc([N+](=O)[O-])c21)[C@H]1CCOC1 ZINC000812290784 702137079 /nfs/dbraw/zinc/13/70/79/702137079.db2.gz JGJOQKNFTACACO-NSHDSACASA-N 1 0 321.333 1.960 20 5 DDBDRO COCC[NH2+]CCNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000841010796 702309137 /nfs/dbraw/zinc/30/91/37/702309137.db2.gz HVBAFBLZLDJYIZ-UHFFFAOYSA-N 1 0 316.745 1.606 20 5 DDBDRO CCN(C(=O)Cc1cccc(F)c1[N+](=O)[O-])[C@@H]1CC[N@H+](C)C1 ZINC000869240243 702527521 /nfs/dbraw/zinc/52/75/21/702527521.db2.gz YKTQGIPMKXJAJE-GFCCVEGCSA-N 1 0 309.341 1.829 20 5 DDBDRO Cc1cc(C[NH+](C)C)ccc1NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000818027347 702558507 /nfs/dbraw/zinc/55/85/07/702558507.db2.gz MBLSVRTZACIFLR-UHFFFAOYSA-N 1 0 317.349 1.800 20 5 DDBDRO [NH3+]C[C@@H](NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl)C1CC1 ZINC000841856117 702589318 /nfs/dbraw/zinc/58/93/18/702589318.db2.gz NIAGKTXHKUWBLZ-GFCCVEGCSA-N 1 0 312.757 1.785 20 5 DDBDRO CCN1C[C@@H]([NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])CC1=O ZINC000866367101 706682864 /nfs/dbraw/zinc/68/28/64/706682864.db2.gz FUMZHSYBSFDLDX-MFKMUULPSA-N 1 0 309.341 1.875 20 5 DDBDRO C[NH2+][C@H](C)Cc1noc(Cn2ncc3ccc([N+](=O)[O-])cc32)n1 ZINC000842627022 702745682 /nfs/dbraw/zinc/74/56/82/702745682.db2.gz AQFZUZZSXNDZKR-SECBINFHSA-N 1 0 316.321 1.526 20 5 DDBDRO C[NH2+][C@H](C)Cc1noc(-c2cc3nsnc3c([N+](=O)[O-])c2)n1 ZINC000842634183 702746750 /nfs/dbraw/zinc/74/67/50/702746750.db2.gz BHHVHEYYCNTRKS-ZCFIWIBFSA-N 1 0 320.334 1.800 20 5 DDBDRO [NH3+][C@H]1C[C@@H](NS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000842799763 702776157 /nfs/dbraw/zinc/77/61/57/702776157.db2.gz UERPDKQIFCJNHY-OCAPTIKFSA-N 1 0 305.743 1.016 20 5 DDBDRO CC(C)[N@@H+]1CCC[C@@H](COC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000842831983 702781212 /nfs/dbraw/zinc/78/12/12/702781212.db2.gz RBAKTGUMUXOBEL-CYBMUJFWSA-N 1 0 324.381 1.845 20 5 DDBDRO [NH3+]CCCCCCNS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000842920507 702791115 /nfs/dbraw/zinc/79/11/15/702791115.db2.gz RVOJPBCVPDTTRR-UHFFFAOYSA-N 1 0 307.397 1.454 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]Cc2ccccc2CO)c1 ZINC000843070595 702813192 /nfs/dbraw/zinc/81/31/92/702813192.db2.gz VSRDXSDCZPKWGP-INIZCTEOSA-N 1 0 302.330 1.910 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@H](CO)CC(F)(F)F)cc1 ZINC000843089421 702816909 /nfs/dbraw/zinc/81/69/09/702816909.db2.gz STZINOKUGFISFB-ONGXEEELSA-N 1 0 308.256 1.531 20 5 DDBDRO [NH3+][C@H](Cc1nc(CCNc2ccccc2[N+](=O)[O-])no1)C1CC1 ZINC000843184057 702835705 /nfs/dbraw/zinc/83/57/05/702835705.db2.gz DCKLQJXZAAZXME-LLVKDONJSA-N 1 0 317.349 1.912 20 5 DDBDRO Cc1c(-c2noc(C[C@@H]3C[NH2+]CCO3)n2)cccc1[N+](=O)[O-] ZINC000843238772 702847667 /nfs/dbraw/zinc/84/76/67/702847667.db2.gz YYXCVZTWQKEDGS-SNVBAGLBSA-N 1 0 304.306 1.484 20 5 DDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000843474944 702889214 /nfs/dbraw/zinc/88/92/14/702889214.db2.gz YDTVFOZSUCKDIP-HNNXBMFYSA-N 1 0 304.350 1.393 20 5 DDBDRO Nc1ccc(C(=O)N[C@@H]2CC[NH2+]C23CCCC3)cc1[N+](=O)[O-] ZINC000843514428 702898166 /nfs/dbraw/zinc/89/81/66/702898166.db2.gz XDKAJPIEVZSGRD-CYBMUJFWSA-N 1 0 304.350 1.582 20 5 DDBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879531858 706711074 /nfs/dbraw/zinc/71/10/74/706711074.db2.gz MFKDWKKAUYXLPE-WQAKAFBOSA-N 1 0 303.318 1.202 20 5 DDBDRO C[C@@H](CO)C1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000844417148 703028527 /nfs/dbraw/zinc/02/85/27/703028527.db2.gz SGDAPMVSDOECJN-BLLLJJGKSA-N 1 0 308.378 1.969 20 5 DDBDRO C[C@]1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[N@H+](Cc2ccccc2)C1 ZINC000844963579 703090884 /nfs/dbraw/zinc/09/08/84/703090884.db2.gz JFURKVWDHVTEEP-FMKPAKJESA-N 1 0 303.362 1.432 20 5 DDBDRO C[C@@]1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[N@H+](Cc2ccccc2)C1 ZINC000844963580 703090955 /nfs/dbraw/zinc/09/09/55/703090955.db2.gz JFURKVWDHVTEEP-IIAWOOMASA-N 1 0 303.362 1.432 20 5 DDBDRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000846972749 703359095 /nfs/dbraw/zinc/35/90/95/703359095.db2.gz MMWKJAPOBYVRCG-HIFRSBDPSA-N 1 0 321.377 1.571 20 5 DDBDRO C[C@H](COC(=O)CCn1cc([N+](=O)[O-])cn1)[NH+]1CCCCC1 ZINC000847961015 703487433 /nfs/dbraw/zinc/48/74/33/703487433.db2.gz RZVLIEXORQPGBM-GFCCVEGCSA-N 1 0 310.354 1.599 20 5 DDBDRO C[C@@H](C[NH+](C)C)NC(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000848589821 703566741 /nfs/dbraw/zinc/56/67/41/703566741.db2.gz ONSHPKKCGJNACJ-VIFPVBQESA-N 1 0 317.292 1.633 20 5 DDBDRO COc1ccc(CNC(=[NH2+])N2CCO[C@H](C)C2)cc1[N+](=O)[O-] ZINC000848996211 703608470 /nfs/dbraw/zinc/60/84/70/703608470.db2.gz LGYSAKNVASZQFL-SNVBAGLBSA-N 1 0 308.338 1.348 20 5 DDBDRO C[NH2+]C[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000850594851 703738810 /nfs/dbraw/zinc/73/88/10/703738810.db2.gz XALMVPIATSLUGV-MRVPVSSYSA-N 1 0 321.786 1.443 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000869781039 703850662 /nfs/dbraw/zinc/85/06/62/703850662.db2.gz BWLBPPSUNVZVIA-LBPRGKRZSA-N 1 0 321.377 1.478 20 5 DDBDRO COCC1([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000852090536 703920519 /nfs/dbraw/zinc/92/05/19/703920519.db2.gz NKFQZKXJDVTEMO-CQSZACIVSA-N 1 0 310.350 1.413 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1cccc(OCC[NH3+])c1 ZINC000818543128 703922701 /nfs/dbraw/zinc/92/27/01/703922701.db2.gz HJXGJEWZKQGPIU-UHFFFAOYSA-N 1 0 319.321 1.076 20 5 DDBDRO CN(C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000818546557 703923972 /nfs/dbraw/zinc/92/39/72/703923972.db2.gz FYHXDAZEJXEXOB-VIFPVBQESA-N 1 0 315.732 1.750 20 5 DDBDRO C[C@@H]1C[C@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CN1C1CC1 ZINC000819143953 704075502 /nfs/dbraw/zinc/07/55/02/704075502.db2.gz RLQOLPUWMNLYPX-FFSVYQOJSA-N 1 0 305.378 1.843 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]Cc2cnc3n2CCCC3)cc1 ZINC000819298061 704103008 /nfs/dbraw/zinc/10/30/08/704103008.db2.gz BRGCQXFOBOVPMV-HNNXBMFYSA-N 1 0 316.361 1.951 20 5 DDBDRO CN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)CC(C)(C)[NH3+] ZINC000852753758 704115170 /nfs/dbraw/zinc/11/51/70/704115170.db2.gz HUCOOCMSFPFOLO-UHFFFAOYSA-N 1 0 312.345 1.732 20 5 DDBDRO Cc1ccc(CNC(=O)COC2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000870963287 704183460 /nfs/dbraw/zinc/18/34/60/704183460.db2.gz YCSGVQUZSPPBBT-UHFFFAOYSA-N 1 0 307.350 1.288 20 5 DDBDRO CC[N@H+](C)C[C@H](O)CN(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000821391164 704402747 /nfs/dbraw/zinc/40/27/47/704402747.db2.gz IMSRUJKUYJIPJF-ZDUSSCGKSA-N 1 0 315.801 1.993 20 5 DDBDRO Cn1cc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])c(Cl)n1 ZINC000857047265 704548947 /nfs/dbraw/zinc/54/89/47/704548947.db2.gz YGOAPTAUXGZUOK-UHFFFAOYSA-N 1 0 309.757 1.947 20 5 DDBDRO C[NH2+]CCN(C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C ZINC000857232771 704567181 /nfs/dbraw/zinc/56/71/81/704567181.db2.gz MAFSJGAAULRTAJ-UHFFFAOYSA-N 1 0 301.368 1.052 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CC[C@H]2CC2(Cl)Cl)c1 ZINC000857239731 704568661 /nfs/dbraw/zinc/56/86/61/704568661.db2.gz VMSAKZUMDQZTBK-WPRPVWTQSA-N 1 0 323.180 1.326 20 5 DDBDRO COC(=O)Cc1ccc(N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)c([N+](=O)[O-])c1 ZINC000858562137 704727757 /nfs/dbraw/zinc/72/77/57/704727757.db2.gz DRUBTNGTPCTRNE-ATCWAGBWSA-N 1 0 319.361 1.307 20 5 DDBDRO O=C(C[NH+]1CCCC1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000822501651 704962077 /nfs/dbraw/zinc/96/20/77/704962077.db2.gz DUVBNRXCBHCCSW-UHFFFAOYSA-N 1 0 307.354 1.051 20 5 DDBDRO Nc1ccc(-c2noc([C@@H]3C[C@]34CC[NH2+]C4)n2)cc1[N+](=O)[O-] ZINC000822640151 704994657 /nfs/dbraw/zinc/99/46/57/704994657.db2.gz LRVGTDKCSJEYPF-XPTSAGLGSA-N 1 0 301.306 1.694 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2C[C@@H]3CCC[C@]3(CO)C2)cc1 ZINC000859924612 705042735 /nfs/dbraw/zinc/04/27/35/705042735.db2.gz MLZGCFTWNYKWNT-NUEKZKHPSA-N 1 0 306.362 1.723 20 5 DDBDRO COCC[N@@H+]1CC[C@H](NC(=O)c2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000874444555 705069064 /nfs/dbraw/zinc/06/90/64/705069064.db2.gz WTMKBNORHOWNLG-ZDUSSCGKSA-N 1 0 321.377 1.662 20 5 DDBDRO O=C(CC[N@@H+]1C[C@@H]2COC(=O)[C@@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000860161774 705119744 /nfs/dbraw/zinc/11/97/44/705119744.db2.gz MCGGARZODHFYMP-GHMZBOCLSA-N 1 0 319.317 1.028 20 5 DDBDRO Cc1nc([N+](=O)[O-])c(-c2noc([C@@H]3C[C@@H](C)CC[NH2+]3)n2)n1C ZINC000823094629 705137755 /nfs/dbraw/zinc/13/77/55/705137755.db2.gz RTGBHTQVGBPBBX-CBAPKCEASA-N 1 0 306.326 1.747 20 5 DDBDRO COc1c(C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3C)cccc1[N+](=O)[O-] ZINC000874830377 705189294 /nfs/dbraw/zinc/18/92/94/705189294.db2.gz RGOXYZHZWPMWFB-STQMWFEESA-N 1 0 319.361 1.912 20 5 DDBDRO Cc1cc(C(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3C)c(N)c([N+](=O)[O-])c1 ZINC000874839119 705194937 /nfs/dbraw/zinc/19/49/37/705194937.db2.gz TUIMWCDHTLGSAI-STQMWFEESA-N 1 0 318.377 1.794 20 5 DDBDRO CC(C)[NH+]1CCC(NC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000823938017 705341921 /nfs/dbraw/zinc/34/19/21/705341921.db2.gz PPFJACIZGWMBET-OAHLLOKOSA-N 1 0 321.377 1.617 20 5 DDBDRO CO[C@@H]1COCC[C@H]1C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834880454 707146037 /nfs/dbraw/zinc/14/60/37/707146037.db2.gz BLXLBCABPZKJPG-IFUGULHKSA-N 1 0 309.366 1.879 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000824657289 705500719 /nfs/dbraw/zinc/50/07/19/705500719.db2.gz CHQXJGJTDFBRDW-LLVKDONJSA-N 1 0 309.370 1.089 20 5 DDBDRO C[C@H](CNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC000825358918 705654499 /nfs/dbraw/zinc/65/44/99/705654499.db2.gz FTTNZKJMKZVTRA-IUODEOHRSA-N 1 0 321.377 1.476 20 5 DDBDRO CN(C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1C[NH+]2CCC1CC2 ZINC000825835103 705735212 /nfs/dbraw/zinc/73/52/12/705735212.db2.gz BQKFLCBRHGQPDJ-CABCVRRESA-N 1 0 319.361 1.181 20 5 DDBDRO CN(C)c1ccc(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)cn1 ZINC000876927173 705927172 /nfs/dbraw/zinc/92/71/72/705927172.db2.gz TZANJTHJKKDVID-UHFFFAOYSA-N 1 0 316.365 1.746 20 5 DDBDRO O=C(NC[C@@H]1COCC[NH2+]1)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000877039478 705968800 /nfs/dbraw/zinc/96/88/00/705968800.db2.gz KTSGHQIQRAKKNH-GFCCVEGCSA-N 1 0 315.329 1.466 20 5 DDBDRO C[C@H]([NH3+])CN(C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000863651371 705976872 /nfs/dbraw/zinc/97/68/72/705976872.db2.gz HALGUGCZSRQIBN-NSHDSACASA-N 1 0 303.366 1.774 20 5 DDBDRO COC1CCN(CC[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000877158462 706001701 /nfs/dbraw/zinc/00/17/01/706001701.db2.gz UKMSDEUSINZMTE-UHFFFAOYSA-N 1 0 323.397 1.195 20 5 DDBDRO CC(C)[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N)CC[N@@H+]1C ZINC000827491049 706012965 /nfs/dbraw/zinc/01/29/65/706012965.db2.gz KSFJENDBGBOORI-CQSZACIVSA-N 1 0 306.366 1.589 20 5 DDBDRO CC(C)[N@@H+]1CCO[C@H](COC(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000835298522 707216854 /nfs/dbraw/zinc/21/68/54/707216854.db2.gz VUKQEINRPZLLRJ-LBPRGKRZSA-N 1 0 302.371 1.474 20 5 DDBDRO COC(=O)CC[C@H]1CCC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000877817797 706223830 /nfs/dbraw/zinc/22/38/30/706223830.db2.gz AHNDVMZMKSNQHY-LLVKDONJSA-N 1 0 310.354 1.494 20 5 DDBDRO CC1=CC[N@H+](CCNC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000829328398 706319927 /nfs/dbraw/zinc/31/99/27/706319927.db2.gz VALNMTDPNIBQGK-HNNXBMFYSA-N 1 0 319.361 1.396 20 5 DDBDRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000829621910 706368382 /nfs/dbraw/zinc/36/83/82/706368382.db2.gz CMPVOPIENZZLQQ-GFCCVEGCSA-N 1 0 315.414 1.126 20 5 DDBDRO C[C@H]1[C@@H](NC(=O)CCc2cc(F)ccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000830112625 706456815 /nfs/dbraw/zinc/45/68/15/706456815.db2.gz UIILPSNCEFOTFC-GWCFXTLKSA-N 1 0 309.341 1.875 20 5 DDBDRO COCC1([N@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])CCC1 ZINC000880186514 706904701 /nfs/dbraw/zinc/90/47/01/706904701.db2.gz ZXIGUZWCODHUPZ-ZDUSSCGKSA-N 1 0 324.377 1.835 20 5 DDBDRO COCC1([N@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CCC1 ZINC000880188327 706905629 /nfs/dbraw/zinc/90/56/29/706905629.db2.gz ZRRIDAPKMZSRCO-UHFFFAOYSA-N 1 0 307.350 1.695 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@@H]1CCOC[C@H]1OC ZINC000880436985 706975884 /nfs/dbraw/zinc/97/58/84/706975884.db2.gz DWCBGRPFGQCERA-UKRRQHHQSA-N 1 0 310.350 1.839 20 5 DDBDRO C[C@@H]([NH3+])[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CCO1 ZINC000834322270 707030377 /nfs/dbraw/zinc/03/03/77/707030377.db2.gz QLWXHBXKMBTBOL-PRHODGIISA-N 1 0 313.741 1.436 20 5 DDBDRO COCC1(C2CC2)C[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000871988745 707270028 /nfs/dbraw/zinc/27/00/28/707270028.db2.gz GQSQPNCADKYDNS-OAHLLOKOSA-N 1 0 306.362 1.987 20 5 DDBDRO CN1CCCC[C@H]([N@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000872266960 707356611 /nfs/dbraw/zinc/35/66/11/707356611.db2.gz IUNSXZFYRPVYQN-GJZGRUSLSA-N 1 0 321.377 1.571 20 5 DDBDRO CC1(C)CC[NH2+]CCN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000872290489 707366856 /nfs/dbraw/zinc/36/68/56/707366856.db2.gz SZTKFRYSEBEUFK-UHFFFAOYSA-N 1 0 307.350 1.574 20 5 DDBDRO C[NH+](C)[C@@H]1CCC[C@H]1NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000882102121 707498414 /nfs/dbraw/zinc/49/84/14/707498414.db2.gz IJYNLZCOMVEZRD-NXEZZACHSA-N 1 0 319.408 1.417 20 5 DDBDRO O=[N+]([O-])c1cc(F)c(N2C[C@@H]3CCC[N@H+]3C[C@@H]2CO)c(F)c1 ZINC000872758159 707587232 /nfs/dbraw/zinc/58/72/32/707587232.db2.gz PYZQOGQEIWIRKX-GXSJLCMTSA-N 1 0 313.304 1.518 20 5 DDBDRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2c1nc2sccn2c1[N+](=O)[O-] ZINC000872779839 707596414 /nfs/dbraw/zinc/59/64/14/707596414.db2.gz IWZUHWKZZBEOFM-NXEZZACHSA-N 1 0 307.379 1.977 20 5 DDBDRO CC(C)[N@@H+]1CCCC[C@@H]1COC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000837445768 707650035 /nfs/dbraw/zinc/65/00/35/707650035.db2.gz GHHMUSAUABOYMT-GFCCVEGCSA-N 1 0 310.354 1.597 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000882725120 707762073 /nfs/dbraw/zinc/76/20/73/707762073.db2.gz KOYMPEUPNHPQLR-LBPRGKRZSA-N 1 0 309.370 1.066 20 5 DDBDRO CCN1CC[C@H]1CNS(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000882766592 707783464 /nfs/dbraw/zinc/78/34/64/707783464.db2.gz LOBKNDWUEMTVDU-NSHDSACASA-N 1 0 313.379 1.276 20 5 DDBDRO C[N@H+](CCNc1cccc(F)c1[N+](=O)[O-])CCOCCO ZINC000882952426 707868801 /nfs/dbraw/zinc/86/88/01/707868801.db2.gz UKWWJYRETUVPBM-UHFFFAOYSA-N 1 0 301.318 1.087 20 5 DDBDRO CC[N@@H+]1CC[C@@H]1CNc1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C ZINC000882959995 707873651 /nfs/dbraw/zinc/87/36/51/707873651.db2.gz WHYPWGYSSIIWOZ-SNVBAGLBSA-N 1 0 319.365 1.291 20 5 DDBDRO C[C@@H](NC(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000896612189 708096151 /nfs/dbraw/zinc/09/61/51/708096151.db2.gz IXSTZRZUVUBPMV-BNOWGMLFSA-N 1 0 318.377 1.859 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000897220811 708258818 /nfs/dbraw/zinc/25/88/18/708258818.db2.gz DKFGEXUUIIZGCJ-JKSUJKDBSA-N 1 0 305.378 1.939 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C3CC(CCO)C3)CC2)cn1 ZINC000898015789 708518812 /nfs/dbraw/zinc/51/88/12/708518812.db2.gz SJXVNRDZYSSXSS-UHFFFAOYSA-N 1 0 320.393 1.709 20 5 DDBDRO COC(=O)N1CCC([C@@H](C)[NH2+]Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886145460 708704752 /nfs/dbraw/zinc/70/47/52/708704752.db2.gz YYMPWNREGQIMJE-LLVKDONJSA-N 1 0 322.365 1.946 20 5 DDBDRO CNC(=O)CC[C@H]1CCCC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886204767 708714192 /nfs/dbraw/zinc/71/41/92/708714192.db2.gz PXFXQDOGCLSVPZ-CYBMUJFWSA-N 1 0 306.366 1.871 20 5 DDBDRO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CC([NH+]2CCCC2)C1 ZINC000898614358 708813128 /nfs/dbraw/zinc/81/31/28/708813128.db2.gz PZTYSSPYHYSSFE-UHFFFAOYSA-N 1 0 315.333 1.391 20 5 DDBDRO CCN(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@H]1CC[NH2+]C1 ZINC000886854448 708865103 /nfs/dbraw/zinc/86/51/03/708865103.db2.gz OZJGACUGJVCDAK-AWEZNQCLSA-N 1 0 306.366 1.241 20 5 DDBDRO CCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000886890330 708884434 /nfs/dbraw/zinc/88/44/34/708884434.db2.gz FNXSHFJRGDENSC-MRVPVSSYSA-N 1 0 305.381 1.029 20 5 DDBDRO C[C@@H]1CN(c2cc[nH+]cc2)CCN1Cc1cn(C)nc1[N+](=O)[O-] ZINC000887136650 708969547 /nfs/dbraw/zinc/96/95/47/708969547.db2.gz YJHAIZDMWATHAZ-GFCCVEGCSA-N 1 0 316.365 1.434 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)c1 ZINC000887931717 709168819 /nfs/dbraw/zinc/16/88/19/709168819.db2.gz FWMMTKURPZJCCV-WBMJQRKESA-N 1 0 303.362 1.927 20 5 DDBDRO O=C([C@H](O)c1cccc([N+](=O)[O-])c1)N1CCC([NH+]2CCC2)CC1 ZINC000912870675 713112074 /nfs/dbraw/zinc/11/20/74/713112074.db2.gz DUQVGPZDMBYPJQ-OAHLLOKOSA-N 1 0 319.361 1.325 20 5 DDBDRO COc1cc(C(=O)N2CCC([NH+]3CCC3)CC2)ccc1[N+](=O)[O-] ZINC000912879457 713113207 /nfs/dbraw/zinc/11/32/07/713113207.db2.gz BMVJYHVNOPHHAX-UHFFFAOYSA-N 1 0 319.361 1.914 20 5 DDBDRO Nc1c(Cl)cc(C(=O)N2CC[C@@H]([NH+]3CCC3)C2)cc1[N+](=O)[O-] ZINC000912901677 713118043 /nfs/dbraw/zinc/11/80/43/713118043.db2.gz BNYLZAHZQRLHFK-SNVBAGLBSA-N 1 0 324.768 1.751 20 5 DDBDRO C[N@@H+]1CCC[C@@](O)(CC(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000900857851 709793976 /nfs/dbraw/zinc/79/39/76/709793976.db2.gz LUHKMQNRORLVFF-MRXNPFEDSA-N 1 0 321.377 1.100 20 5 DDBDRO CN(CC(C)(C)C[NH+](C)C)C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000890882176 710020129 /nfs/dbraw/zinc/02/01/29/710020129.db2.gz IXBSPSVPMIWMCX-UHFFFAOYSA-N 1 0 310.354 1.355 20 5 DDBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000891409666 710190198 /nfs/dbraw/zinc/19/01/98/710190198.db2.gz IHXKMQQPWSPDSR-BETUJISGSA-N 1 0 304.350 1.283 20 5 DDBDRO C[C@H](NC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1[N+](=O)[O-] ZINC000891751705 710284570 /nfs/dbraw/zinc/28/45/70/710284570.db2.gz UJUULDAFSKYPKB-SDDRHHMPSA-N 1 0 304.350 1.802 20 5 DDBDRO Cc1ccc(CNC(=O)N2CC[C@]3(CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000892537430 710454033 /nfs/dbraw/zinc/45/40/33/710454033.db2.gz UKRJUNCTLPISBL-INIZCTEOSA-N 1 0 318.377 1.798 20 5 DDBDRO COc1c(C(=O)N[C@@]2(C)C[NH+]3CCC2CC3)cccc1[N+](=O)[O-] ZINC000892768561 710495482 /nfs/dbraw/zinc/49/54/82/710495482.db2.gz KDESGQHDEXGTAL-INIZCTEOSA-N 1 0 319.361 1.818 20 5 DDBDRO C[C@]1(NC(=O)COc2cccc([N+](=O)[O-])c2)C[NH+]2CCC1CC2 ZINC000892789697 710499424 /nfs/dbraw/zinc/49/94/24/710499424.db2.gz RWDCPSKCLBPYJR-INIZCTEOSA-N 1 0 319.361 1.574 20 5 DDBDRO C[C@H]1[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1C ZINC000928440064 713196832 /nfs/dbraw/zinc/19/68/32/713196832.db2.gz AMGROLIEJPFZIE-TVQRCGJNSA-N 1 0 311.769 2.000 20 5 DDBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H]1C[NH2+]CC1(C)C ZINC000902445876 710756745 /nfs/dbraw/zinc/75/67/45/710756745.db2.gz NCPKVORKZZBPKK-FZMZJTMJSA-N 1 0 320.393 1.900 20 5 DDBDRO COC(=O)[C@@H]1[C@H](C[NH2+]CCc2ccc([N+](=O)[O-])cc2)C1(F)F ZINC000894242414 711031629 /nfs/dbraw/zinc/03/16/29/711031629.db2.gz ZOSGHIPTEIZIKD-RYUDHWBXSA-N 1 0 314.288 1.781 20 5 DDBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CCN1C ZINC000903322318 711096767 /nfs/dbraw/zinc/09/67/67/711096767.db2.gz IBWAFZILHQFLEC-SMDDNHRTSA-N 1 0 306.366 1.606 20 5 DDBDRO COc1c(O)ccc(CN(C)CC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000894457120 711130603 /nfs/dbraw/zinc/13/06/03/711130603.db2.gz YSQMQVFTMLPGSF-UHFFFAOYSA-N 1 0 309.366 1.837 20 5 DDBDRO O=C(NCCNc1ccccc1[N+](=O)[O-])[C@]12CC[C@H]1C[NH2+]C2 ZINC000912114042 711178737 /nfs/dbraw/zinc/17/87/37/711178737.db2.gz SGDVJILZFOHELN-NHYWBVRUSA-N 1 0 304.350 1.123 20 5 DDBDRO C[NH2+]CCN(CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C(C)C ZINC000903569409 711200978 /nfs/dbraw/zinc/20/09/78/711200978.db2.gz CKKGPUJQXMVVQP-UHFFFAOYSA-N 1 0 324.381 1.472 20 5 DDBDRO CNc1ccc(C(=O)N[C@@]2(C)C[NH+]3CCC2CC3)cc1[N+](=O)[O-] ZINC000912384335 711304085 /nfs/dbraw/zinc/30/40/85/711304085.db2.gz VIFRMHCQCSZIQG-INIZCTEOSA-N 1 0 318.377 1.851 20 5 DDBDRO [NH3+][C@@H](CC(F)F)CN1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000903925880 711335467 /nfs/dbraw/zinc/33/54/67/711335467.db2.gz INFVRAUJYUILJK-JTQLQIEISA-N 1 0 315.324 1.094 20 5 DDBDRO CON(C)C(=O)C[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000895043257 711382582 /nfs/dbraw/zinc/38/25/82/711382582.db2.gz UALOTWZNQMWJCC-JSGCOSHPSA-N 1 0 321.377 1.915 20 5 DDBDRO C[C@H](Nc1ncc(Cl)cc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCN1C ZINC000895247511 711464754 /nfs/dbraw/zinc/46/47/54/711464754.db2.gz VFFJIHKBBUNXPW-CABZTGNLSA-N 1 0 313.789 1.689 20 5 DDBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)NC12CC[NH+](CC1)C2 ZINC000913626367 713271463 /nfs/dbraw/zinc/27/14/63/713271463.db2.gz OSHRFJXIVYAJAK-UHFFFAOYSA-N 1 0 318.377 1.751 20 5 DDBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000896519871 711737179 /nfs/dbraw/zinc/73/71/79/711737179.db2.gz YPRMXKXJGZEQAI-ZDUSSCGKSA-N 1 0 306.366 1.963 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CC[C@@H]2CCCC2(F)F)c1 ZINC000905420265 712033594 /nfs/dbraw/zinc/03/35/94/712033594.db2.gz RJQKFIZZTCZQRH-CMPLNLGQSA-N 1 0 318.324 1.567 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@@H]2C[C@@H]3COC[C@@H]3O2)c1 ZINC000905570614 712081198 /nfs/dbraw/zinc/08/11/98/712081198.db2.gz DKFZHGLZGIONOK-UNQGMJICSA-N 1 0 308.334 1.022 20 5 DDBDRO Cc1n[nH]c(C(=O)N2CC[N@@H+](C)C3(CCCCC3)C2)c1[N+](=O)[O-] ZINC000908573171 712810848 /nfs/dbraw/zinc/81/08/48/712810848.db2.gz IKJUJDYLUOTIAH-UHFFFAOYSA-N 1 0 321.381 1.717 20 5 DDBDRO CC[NH+](CC)CCNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000915280483 713415440 /nfs/dbraw/zinc/41/54/40/713415440.db2.gz VLSUZMLFFNDORX-UHFFFAOYSA-N 1 0 319.365 1.403 20 5 DDBDRO Cc1c(C[NH2+]CC(=O)NCc2ccco2)cccc1[N+](=O)[O-] ZINC000917135133 713484108 /nfs/dbraw/zinc/48/41/08/713484108.db2.gz GAPCPRDXSWBDOA-UHFFFAOYSA-N 1 0 303.318 1.902 20 5 DDBDRO Cc1ccc(NC(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000929118866 713550323 /nfs/dbraw/zinc/55/03/23/713550323.db2.gz VEYHYBDDYKSQKI-TXEJJXNPSA-N 1 0 304.350 1.929 20 5 DDBDRO CC(C)(C)[NH2+]CCC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000929412419 713605278 /nfs/dbraw/zinc/60/52/78/713605278.db2.gz QSBLHFQPDCLGOZ-UHFFFAOYSA-N 1 0 308.382 1.901 20 5 DDBDRO COC(=O)CCN(CC[N+](=O)[O-])Cc1ccc(F)c(F)c1 ZINC000929617430 713652161 /nfs/dbraw/zinc/65/21/61/713652161.db2.gz ISNWBFBIXDETIV-UHFFFAOYSA-N 1 0 302.277 1.607 20 5 DDBDRO CCO[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])c(C)c1)C[NH+](C)C ZINC000930733010 713905988 /nfs/dbraw/zinc/90/59/88/713905988.db2.gz ZMUFCNRYRHPZHR-CYBMUJFWSA-N 1 0 324.381 1.991 20 5 DDBDRO Cn1[nH]c(=O)c2c1C[N@H+](CCc1ccc([N+](=O)[O-])cc1)CC2 ZINC000931200235 714033532 /nfs/dbraw/zinc/03/35/32/714033532.db2.gz MMMMBJCODDHTFE-UHFFFAOYSA-N 1 0 302.334 1.635 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CC[N@@H+]1C ZINC000931261543 714050804 /nfs/dbraw/zinc/05/08/04/714050804.db2.gz BBMUBXWZNBGAGJ-NSHDSACASA-N 1 0 308.338 1.819 20 5 DDBDRO CN(C(=O)CN1[C@@H]2CC[C@H]1C[N@@H+](C)C2)c1ccc([N+](=O)[O-])cc1 ZINC000931393302 714082887 /nfs/dbraw/zinc/08/28/87/714082887.db2.gz GNEFXMVPGREDPT-GASCZTMLSA-N 1 0 318.377 1.336 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(c2ncco2)CC1 ZINC000931443638 714099691 /nfs/dbraw/zinc/09/96/91/714099691.db2.gz YCLAJBAPORSYLC-UHFFFAOYSA-N 1 0 305.338 1.967 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@H](c2ccn(C)n2)C1 ZINC000932132729 714267769 /nfs/dbraw/zinc/26/77/69/714267769.db2.gz NODASDDXWGJQEQ-ZDUSSCGKSA-N 1 0 318.381 1.713 20 5 DDBDRO C[NH2+][C@H]1CCCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000923284214 714297322 /nfs/dbraw/zinc/29/73/22/714297322.db2.gz JKSPBXIGMOBMQG-JSGCOSHPSA-N 1 0 309.366 1.018 20 5 DDBDRO C[C@@H]1C[NH2+]C[C@H](C)N1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000923332488 714317977 /nfs/dbraw/zinc/31/79/77/714317977.db2.gz KAYMNVZZFDTKMQ-FRRDWIJNSA-N 1 0 309.366 1.017 20 5 DDBDRO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000923370495 714330960 /nfs/dbraw/zinc/33/09/60/714330960.db2.gz PHLSTBNHCOKJCQ-HLSYRSCKSA-N 1 0 323.393 1.311 20 5 DDBDRO COCC[NH2+]C1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000923386529 714337332 /nfs/dbraw/zinc/33/73/32/714337332.db2.gz CGMZXNMZLMGVSX-MRXNPFEDSA-N 1 0 323.393 1.329 20 5 DDBDRO COc1ccccc1NC(=O)[C@@H]1CCC[N@H+](CC[N+](=O)[O-])C1 ZINC000932631790 714370447 /nfs/dbraw/zinc/37/04/47/714370447.db2.gz IHOASLAQCSZGSF-GFCCVEGCSA-N 1 0 307.350 1.622 20 5 DDBDRO C[NH+]1CCC(OCC(=O)OCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000923792310 714471841 /nfs/dbraw/zinc/47/18/41/714471841.db2.gz NRBNPWALUDBVAE-UHFFFAOYSA-N 1 0 308.334 1.749 20 5 DDBDRO CC[C@H](c1cccc([N+](=O)[O-])c1)N1C(=O)N[C@H](C[NH+](C)C)C1=O ZINC000924774249 714661205 /nfs/dbraw/zinc/66/12/05/714661205.db2.gz AVIPKOAPCMMIGM-CHWSQXEVSA-N 1 0 320.349 1.528 20 5 DDBDRO CC[N@H+](CCC(=O)NC)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000933863677 714686216 /nfs/dbraw/zinc/68/62/16/714686216.db2.gz FZIWJLHNXNNTSM-UHFFFAOYSA-N 1 0 313.329 1.701 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H]1CCOC12CCOCC2 ZINC000934400689 714811315 /nfs/dbraw/zinc/81/13/15/714811315.db2.gz YMTKLFJUUVTOFN-LBPRGKRZSA-N 1 0 310.354 1.027 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000934951506 714937267 /nfs/dbraw/zinc/93/72/67/714937267.db2.gz OUSWEQNSECMHQU-STQMWFEESA-N 1 0 321.381 1.042 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000935939781 715139123 /nfs/dbraw/zinc/13/91/23/715139123.db2.gz NBBFCJWIRVYNNI-AAEUAGOBSA-N 1 0 321.381 1.185 20 5 DDBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)Cn1c(C)ncc1[N+](=O)[O-] ZINC000936027682 715145039 /nfs/dbraw/zinc/14/50/39/715145039.db2.gz PAQWOFXLXGNHNQ-LLVKDONJSA-N 1 0 311.386 1.336 20 5 DDBDRO O=[N+]([O-])c1cnc(NC[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)nc1 ZINC001120874302 782201457 /nfs/dbraw/zinc/20/14/57/782201457.db2.gz KDKOGMJCPBGIOR-JSGCOSHPSA-N 1 0 321.381 1.688 20 5 DDBDRO O=C(/C=C/c1ccc[nH]1)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001126238078 738742654 /nfs/dbraw/zinc/74/26/54/738742654.db2.gz HNUMATLHJUOLNJ-BQYQJAHWSA-N 1 0 314.345 1.842 20 5 DDBDRO Cc1cc(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)cnn1 ZINC001126251124 738770370 /nfs/dbraw/zinc/77/03/70/738770370.db2.gz UDHWWGCPNAXDRI-UHFFFAOYSA-N 1 0 315.333 1.213 20 5 DDBDRO CC(C)Oc1ccccc1C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126932222 742776451 /nfs/dbraw/zinc/77/64/51/742776451.db2.gz MXZAHMLEIIURNS-ZIAGYGMSSA-N 1 0 321.377 1.345 20 5 DDBDRO COC(=O)c1cc(Oc2nccnc2C[NH3+])ccc1[N+](=O)[O-] ZINC001185332327 744208516 /nfs/dbraw/zinc/20/85/16/744208516.db2.gz YENCPARNMIPAAX-UHFFFAOYSA-N 1 0 304.262 1.422 20 5 DDBDRO [NH3+]C[C@]12CC[C@H]1CCN2C(=O)COc1ccccc1[N+](=O)[O-] ZINC001122321740 745369981 /nfs/dbraw/zinc/36/99/81/745369981.db2.gz YIBWKHUJBBQBSS-XHDPSFHLSA-N 1 0 305.334 1.313 20 5 DDBDRO Cn1cccc1C(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001123641052 746658898 /nfs/dbraw/zinc/65/88/98/746658898.db2.gz FVOIKISWTFQPET-UHFFFAOYSA-N 1 0 308.363 1.514 20 5 DDBDRO CCc1ocnc1C(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001125109114 748868491 /nfs/dbraw/zinc/86/84/91/748868491.db2.gz MMQXPGXJALOSDS-UHFFFAOYSA-N 1 0 324.362 1.726 20 5 DDBDRO CC(C)[N@H+](C)CC(=O)NC/C=C/CNc1ncccc1[N+](=O)[O-] ZINC001107232699 749662101 /nfs/dbraw/zinc/66/21/01/749662101.db2.gz GBHNXZNCGKAPSW-SNAWJCMRSA-N 1 0 321.381 1.414 20 5 DDBDRO Cc1cncnc1O[C@@H]1CC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169053206 762207894 /nfs/dbraw/zinc/20/78/94/762207894.db2.gz IEJSUKLVBVTMAX-BFHYXJOUSA-N 1 0 306.366 1.684 20 5 DDBDRO Cc1cc(OCC(=O)N2CC[C@H]([NH+]3CCC3)C2)ccc1[N+](=O)[O-] ZINC000827904689 759416206 /nfs/dbraw/zinc/41/62/06/759416206.db2.gz GGAIHMMYLXBMAL-ZDUSSCGKSA-N 1 0 319.361 1.589 20 5 DDBDRO [NH3+]Cc1cnc2c(ccn2-c2cc([N+](=O)[O-])cc(Cl)[n+]2[O-])c1 ZINC001156594135 763391853 /nfs/dbraw/zinc/39/18/53/763391853.db2.gz ALFSWSNHWGJNMI-UHFFFAOYSA-N 1 0 319.708 1.679 20 5 DDBDRO C[C@H](Nc1ncc([N+](=O)[O-])cc1C(F)(F)F)[C@@H]1C[NH2+]CCO1 ZINC001170566187 768167136 /nfs/dbraw/zinc/16/71/36/768167136.db2.gz DVMMFALMUKLILM-XVKPBYJWSA-N 1 0 320.271 1.797 20 5 DDBDRO C[C@@H](Nc1ncc2cccc([N+](=O)[O-])c2n1)[C@@H]1C[NH2+]CCO1 ZINC001170566657 768173112 /nfs/dbraw/zinc/17/31/12/768173112.db2.gz AXNLIHASULEWHD-SKDRFNHKSA-N 1 0 303.322 1.327 20 5 DDBDRO CC(C)[C@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])C(C)(C)O ZINC001170104387 765194367 /nfs/dbraw/zinc/19/43/67/765194367.db2.gz GYGHSQRDMLDIEU-AWEZNQCLSA-N 1 0 309.366 1.918 20 5 DDBDRO COc1ccc(C[C@@H](C)[NH2+]C[C@H]2CCC(=O)N2C)c([N+](=O)[O-])c1 ZINC001170305640 766231370 /nfs/dbraw/zinc/23/13/70/766231370.db2.gz OKTDMJJSZOABSQ-DGCLKSJQSA-N 1 0 321.377 1.745 20 5 DDBDRO CCc1n[nH]cc1C(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001130723930 767698329 /nfs/dbraw/zinc/69/83/29/767698329.db2.gz AKBBDVCRTMZNJZ-UHFFFAOYSA-N 1 0 317.349 1.400 20 5 DDBDRO CCOC(=O)C1=C(Nc2ncc([N+](=O)[O-])cc2NC)CC[NH2+]C1 ZINC001170513993 767725603 /nfs/dbraw/zinc/72/56/03/767725603.db2.gz LVJDFTGABUAKJM-UHFFFAOYSA-N 1 0 321.337 1.254 20 5 DDBDRO CCOC(=O)C1C[NH2+]CCC1=Nc1cc(C)c([N+](=O)[O-])cn1 ZINC001170515605 767739568 /nfs/dbraw/zinc/73/95/68/767739568.db2.gz LCUYZTPCFREUPM-UHFFFAOYSA-N 1 0 306.322 1.521 20 5 DDBDRO CCC(CC)C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@H]2C1 ZINC001048814369 769933851 /nfs/dbraw/zinc/93/38/51/769933851.db2.gz HUAQMZAHMVNHQA-LXTVHRRPSA-N 1 0 309.410 1.478 20 5 DDBDRO CCn1ccc(C(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)n1 ZINC001134770512 771167161 /nfs/dbraw/zinc/16/71/61/771167161.db2.gz XHVVDNAGMNSSFN-UHFFFAOYSA-N 1 0 323.378 1.392 20 5 DDBDRO O=[N+]([O-])c1ccc(C(F)(F)F)cc1N[C@@H]1C[NH2+]C[C@H]1CO ZINC001170779241 771239056 /nfs/dbraw/zinc/23/90/56/771239056.db2.gz JLMPKFBBWWITID-OIBJUYFYSA-N 1 0 305.256 1.606 20 5 DDBDRO C[N@@H+]1CCCN(C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC001135487047 771532416 /nfs/dbraw/zinc/53/24/16/771532416.db2.gz ORUSNBOSVSYUOH-UHFFFAOYSA-N 1 0 311.769 1.955 20 5 DDBDRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001136345678 771943660 /nfs/dbraw/zinc/94/36/60/771943660.db2.gz HHXQQISIDWKSEJ-NSHDSACASA-N 1 0 323.397 1.812 20 5 DDBDRO CCOC(=O)CN(CC[NH3+])c1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC001170992664 772033760 /nfs/dbraw/zinc/03/37/60/772033760.db2.gz JYEGDJRKXJKEIU-UHFFFAOYSA-N 1 0 322.365 1.197 20 5 DDBDRO COC(=O)c1ccnc(Nc2ccc(C[NH3+])nc2)c1[N+](=O)[O-] ZINC001160402586 772296952 /nfs/dbraw/zinc/29/69/52/772296952.db2.gz WDOKZGIRXPNFDU-UHFFFAOYSA-N 1 0 303.278 1.374 20 5 DDBDRO CC[NH+](CC)CC(=O)NCCNc1ccc([N+](=O)[O-])cc1F ZINC001093646855 774947449 /nfs/dbraw/zinc/94/74/49/774947449.db2.gz OJFQYVRSJZGQEQ-UHFFFAOYSA-N 1 0 312.345 1.604 20 5 DDBDRO CCC[N@H+](C)CCC(=O)NCCNc1nccc(C)c1[N+](=O)[O-] ZINC001093770767 775066995 /nfs/dbraw/zinc/06/69/95/775066995.db2.gz HFZIMEMCZVKOAN-UHFFFAOYSA-N 1 0 323.397 1.558 20 5 DDBDRO Cc1cc(NCCNC(=O)C[N@@H+](C)C2CCC2)ccc1[N+](=O)[O-] ZINC001094221877 775543984 /nfs/dbraw/zinc/54/39/84/775543984.db2.gz SKBJQHOMIXFFSC-UHFFFAOYSA-N 1 0 320.393 1.916 20 5 DDBDRO CC[NH+](CC)CC(=O)NCCCNc1nc(C)ccc1[N+](=O)[O-] ZINC001094442112 775879258 /nfs/dbraw/zinc/87/92/58/775879258.db2.gz OACKPOCQXVJSLJ-UHFFFAOYSA-N 1 0 323.397 1.558 20 5 DDBDRO Cc1ccnc(N(C)CCNC(=O)CCC[NH+](C)C)c1[N+](=O)[O-] ZINC001100286824 775940592 /nfs/dbraw/zinc/94/05/92/775940592.db2.gz OTSHPEHEKRMFIJ-UHFFFAOYSA-N 1 0 323.397 1.192 20 5 DDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCN1CCOC[C@@H]1C ZINC001173222641 777056098 /nfs/dbraw/zinc/05/60/98/777056098.db2.gz YJEOWVBUSBOVFU-KGLIPLIRSA-N 1 0 307.394 1.836 20 5 DDBDRO CC[NH+](CC)CC(=O)N(C)CCNc1ccc([N+](=O)[O-])c(C)n1 ZINC001101628533 777324753 /nfs/dbraw/zinc/32/47/53/777324753.db2.gz PAQBOVIQCAAJHZ-UHFFFAOYSA-N 1 0 323.397 1.510 20 5 DDBDRO C[C@](CO)([NH2+]C[C@@H](O)CC1(O)CCC1)c1cccc([N+](=O)[O-])c1 ZINC001175324028 777750909 /nfs/dbraw/zinc/75/09/09/777750909.db2.gz ROUYJTCSAVZIPI-LSDHHAIUSA-N 1 0 324.377 1.058 20 5 DDBDRO CC(C)(C)[NH+]1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC001115909933 780460473 /nfs/dbraw/zinc/46/04/73/780460473.db2.gz IQASBWLGNUFVCJ-UHFFFAOYSA-N 1 0 320.393 1.949 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(Cc2noc([C@@H]3[NH2+]C[C@@H]4C[C@@H]43)n2)c1 ZINC001118960067 781284279 /nfs/dbraw/zinc/28/42/79/781284279.db2.gz PMYYOHBMJGLWCF-NURSFMCSSA-N 1 0 316.317 1.858 20 5 DDBDRO CN(CC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)CCCF ZINC001266803356 836858396 /nfs/dbraw/zinc/85/83/96/836858396.db2.gz CHAZITRCJAVMGR-UHFFFAOYSA-N 1 0 303.359 1.954 20 5 DDBDRO CCCCCC(=O)NCCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001154651605 861323041 /nfs/dbraw/zinc/32/30/41/861323041.db2.gz HADLAHWUNVVJHN-UHFFFAOYSA-N 1 0 311.386 1.505 20 5 DDBDRO CC(C)Oc1nc(N[C@@H](C)CN2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC001154752816 861425723 /nfs/dbraw/zinc/42/57/23/861425723.db2.gz KKLDMWVCUGALIU-LBPRGKRZSA-N 1 0 323.397 1.483 20 5 DDBDRO COCC(=O)NCC1([NH2+]Cc2csc([N+](=O)[O-])c2)CCC1 ZINC001326773804 861604302 /nfs/dbraw/zinc/60/43/02/861604302.db2.gz LCRVZMSSIKLMRU-UHFFFAOYSA-N 1 0 313.379 1.431 20 5 DDBDRO O=[N+]([O-])c1cnc(NC[C@@]2(F)CCCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001155115253 861748665 /nfs/dbraw/zinc/74/86/65/861748665.db2.gz NDQJHGCVKJHIPP-GFCCVEGCSA-N 1 0 313.289 1.792 20 5 DDBDRO CSc1nc(Cl)nc(N[C@@H]2CC[NH2+][C@@H]2C)c1[N+](=O)[O-] ZINC001155187798 861810523 /nfs/dbraw/zinc/81/05/23/861810523.db2.gz HKAXKPVPMSBHBD-PHDIDXHHSA-N 1 0 303.775 1.922 20 5 DDBDRO COc1cc2ncnc(N[C@@H]3CC[NH2+][C@@H]3C)c2cc1[N+](=O)[O-] ZINC001155188101 861811386 /nfs/dbraw/zinc/81/13/86/861811386.db2.gz QAJVCXOFJPNFKI-PSASIEDQSA-N 1 0 303.322 1.709 20 5 DDBDRO O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1ccc(=O)[nH]c1 ZINC001149747752 861873577 /nfs/dbraw/zinc/87/35/77/861873577.db2.gz VTBDSFWSNKDJBH-UHFFFAOYSA-N 1 0 322.346 1.277 20 5 DDBDRO Nc1nc(NC[C@@H]2CCC3(CC[NH2+]CC3)CO2)ccc1[N+](=O)[O-] ZINC001155385195 862023712 /nfs/dbraw/zinc/02/37/12/862023712.db2.gz XFEBXHIDMZJKQD-NSHDSACASA-N 1 0 321.381 1.533 20 5 DDBDRO O=[N+]([O-])c1cnc(NCC[C@@H]2CCOC23C[NH2+]C3)c([N+](=O)[O-])c1 ZINC001155471972 862128557 /nfs/dbraw/zinc/12/85/57/862128557.db2.gz VYCYXNHJHQXCLK-SECBINFHSA-N 1 0 323.309 1.079 20 5 DDBDRO O=[N+]([O-])c1ccc2nc(NC[C@@H]3CO[C@@H]4C[NH2+]C[C@H]34)cnc2c1 ZINC001155482901 862143584 /nfs/dbraw/zinc/14/35/84/862143584.db2.gz KDTBVEZWOQBDPL-GLXFQSAKSA-N 1 0 315.333 1.184 20 5 DDBDRO Cc1nc(Cl)c([N+](=O)[O-])c(NCc2noc3c2C[NH2+]CC3)n1 ZINC001155494533 862157777 /nfs/dbraw/zinc/15/77/77/862157777.db2.gz BBOMCAIBJGWXBG-UHFFFAOYSA-N 1 0 324.728 1.592 20 5 DDBDRO COc1ncnc(N[C@@H]2CC[NH2+][C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC001155549945 862217778 /nfs/dbraw/zinc/21/77/78/862217778.db2.gz PKMLAAFGYJLINY-NEPJUHHUSA-N 1 0 315.333 1.909 20 5 DDBDRO CCOC(=O)c1ccnc(-n2nc(C[NH3+])cc2C)c1[N+](=O)[O-] ZINC001156044008 862669596 /nfs/dbraw/zinc/66/95/96/862669596.db2.gz GRHUIXGIPVCVMI-UHFFFAOYSA-N 1 0 305.294 1.119 20 5 DDBDRO C[NH+](C)C[C@@]12C[C@@H]1CN(c1ncnc3cccc([N+](=O)[O-])c31)C2 ZINC001156402285 863013500 /nfs/dbraw/zinc/01/35/00/863013500.db2.gz SOPUERNJDPSYLJ-BDJLRTHQSA-N 1 0 313.361 1.926 20 5 DDBDRO Cc1cc(C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)c(N)c([N+](=O)[O-])c1 ZINC001328506043 863014316 /nfs/dbraw/zinc/01/43/16/863014316.db2.gz QHWLYEALXFROKJ-BMIGLBTASA-N 1 0 304.350 1.439 20 5 DDBDRO O=C(NCC1=CC[NH2+]CC1)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001121932320 858638327 /nfs/dbraw/zinc/63/83/27/858638327.db2.gz GZZLVOBUGVTWSI-LSDHHAIUSA-N 1 0 301.346 1.734 20 5 DDBDRO C[C@@H]1CC[C@H](NC(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C[NH2+]1 ZINC001122171348 858702585 /nfs/dbraw/zinc/70/25/85/858702585.db2.gz JMPLVOJNYBNEII-BQPHKTIFSA-N 1 0 303.362 1.955 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NC1(C2CC[NH2+]CC2)CC1 ZINC001122377712 858782557 /nfs/dbraw/zinc/78/25/57/858782557.db2.gz SKDNXVPHCQYMED-UHFFFAOYSA-N 1 0 304.350 1.560 20 5 DDBDRO COc1cc(C(=O)N2CCC[C@@]23CC[NH2+]C3)ccc1[N+](=O)[O-] ZINC001122411977 858797145 /nfs/dbraw/zinc/79/71/45/858797145.db2.gz OXIMHSJHEGNVNY-HNNXBMFYSA-N 1 0 305.334 1.572 20 5 DDBDRO COC(=O)c1ccccc1CCOC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001224738816 881517644 /nfs/dbraw/zinc/51/76/44/881517644.db2.gz KGSIUQBTXKODHB-CQSZACIVSA-N 1 0 324.397 1.016 20 5 DDBDRO C[C@@H](OCC[N+](C)(C)C)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001224772681 881528859 /nfs/dbraw/zinc/52/88/59/881528859.db2.gz BPFBQZSDQDQDDC-AEFFLSMTSA-N 1 0 307.458 1.999 20 5 DDBDRO O=C(NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cnccn1 ZINC001154261131 860928946 /nfs/dbraw/zinc/92/89/46/860928946.db2.gz ZJAKICODGJNMRL-UHFFFAOYSA-N 1 0 315.333 1.295 20 5 DDBDRO C[NH+](C)[C@@H]1CCCC[C@H]1Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC001325950959 860985010 /nfs/dbraw/zinc/98/50/10/860985010.db2.gz FVGBWBDFCZXBSC-GHMZBOCLSA-N 1 0 307.354 1.373 20 5 DDBDRO CC[C@@]1(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC[NH2+]C1 ZINC001326039136 861061493 /nfs/dbraw/zinc/06/14/93/861061493.db2.gz OEBWBBBZCMGCNO-OAHLLOKOSA-N 1 0 307.350 1.480 20 5 DDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[N@H+](C)CC1(C)C ZINC001156591814 863170913 /nfs/dbraw/zinc/17/09/13/863170913.db2.gz ZGPLBJDQPAXIET-ZDUSSCGKSA-N 1 0 306.366 1.707 20 5 DDBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N[C@H]2C[NH2+]CC[C@H]2F)n1 ZINC001157445229 863825040 /nfs/dbraw/zinc/82/50/40/863825040.db2.gz BZEZPLJHVYOXCK-RITPCOANSA-N 1 0 321.765 1.872 20 5 DDBDRO CC(C)(C)c1cc(C[NH2+]CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])no1 ZINC001157767303 864118726 /nfs/dbraw/zinc/11/87/26/864118726.db2.gz KZHVQEYPXKPNPK-VXGBXAGGSA-N 1 0 324.381 1.233 20 5 DDBDRO CCOC(=O)c1ccnc(N(CC)[C@@H]2CCC[NH2+]C2)c1[N+](=O)[O-] ZINC001158205937 864488058 /nfs/dbraw/zinc/48/80/58/864488058.db2.gz XWWAUDQCKGJYJW-LLVKDONJSA-N 1 0 322.365 1.745 20 5 DDBDRO CCOC(=O)C1(Nc2ncc([N+](=O)[O-])cc2C)CC[NH+](C)CC1 ZINC001158568337 864733596 /nfs/dbraw/zinc/73/35/96/864733596.db2.gz BVXCOLCDTIPXPC-UHFFFAOYSA-N 1 0 322.365 1.738 20 5 DDBDRO C[NH+]1CC2(CN(c3ccc(-c4ccccc4[N+](=O)[O-])nn3)C2)C1 ZINC001158869087 864947819 /nfs/dbraw/zinc/94/78/19/864947819.db2.gz VJNIQVWFZXOTIF-UHFFFAOYSA-N 1 0 311.345 1.804 20 5 DDBDRO CCc1cc(C(=O)OC)ccc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001225418980 881823990 /nfs/dbraw/zinc/82/39/90/881823990.db2.gz MIRLXRJFYMUJBS-CQSZACIVSA-N 1 0 324.397 1.398 20 5 DDBDRO O=C(NCCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1ccns1 ZINC001159113942 865112589 /nfs/dbraw/zinc/11/25/89/865112589.db2.gz TURXHBXNPJQDGV-UHFFFAOYSA-N 1 0 320.374 1.961 20 5 DDBDRO CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNc2ncc([N+](=O)[O-])cc2F)O1 ZINC001159240357 865180051 /nfs/dbraw/zinc/18/00/51/865180051.db2.gz ORJVIQFHFMDGPX-WZRBSPASSA-N 1 0 314.317 1.266 20 5 DDBDRO C[C@H](Nc1nccc2ccc([N+](=O)[O-])cc21)[C@@H]1C[NH2+]CCO1 ZINC001159497463 865350437 /nfs/dbraw/zinc/35/04/37/865350437.db2.gz IHEKKYNQXGUFDZ-HZMBPMFUSA-N 1 0 302.334 1.932 20 5 DDBDRO O=[N+]([O-])c1ccc2nc(Cl)nc(N[C@H]3C[NH2+]C[C@@H]3CO)c2c1 ZINC001159672108 865459682 /nfs/dbraw/zinc/45/96/82/865459682.db2.gz MSDCRNXBPIZAMG-HQJQHLMTSA-N 1 0 323.740 1.184 20 5 DDBDRO O=[N+]([O-])c1ccccc1-c1ccc(N[C@H]2C[NH2+]C[C@@H]2CO)nn1 ZINC001159680148 865466862 /nfs/dbraw/zinc/46/68/62/865466862.db2.gz GROBRPYYKTVGRH-MFKMUULPSA-N 1 0 315.333 1.044 20 5 DDBDRO Nc1nc(NCC[NH+]2CCC(F)(F)CC2)ccc1[N+](=O)[O-] ZINC001160748898 866097722 /nfs/dbraw/zinc/09/77/22/866097722.db2.gz FBMUZBHOCOKHPL-UHFFFAOYSA-N 1 0 301.297 1.715 20 5 DDBDRO [NH3+]Cc1cc2ccncc2n1-c1nc(Cl)ncc1[N+](=O)[O-] ZINC001160959634 866218458 /nfs/dbraw/zinc/21/84/58/866218458.db2.gz QROUWXHBKLKAFX-UHFFFAOYSA-N 1 0 304.697 1.836 20 5 DDBDRO C[C@@H]([NH2+]CCN1CCC(CO)CC1)c1cccc([N+](=O)[O-])c1 ZINC001320023147 866434613 /nfs/dbraw/zinc/43/46/13/866434613.db2.gz BUJOXILEDSPIOI-CYBMUJFWSA-N 1 0 307.394 1.950 20 5 DDBDRO O=[N+]([O-])c1cc(S(=O)(=O)NCCC[NH+]2CCCC2)cs1 ZINC001320582466 866854796 /nfs/dbraw/zinc/85/47/96/866854796.db2.gz ZXMFKCIPYALLHL-UHFFFAOYSA-N 1 0 319.408 1.421 20 5 DDBDRO COCCC(=O)NC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001225788881 882029735 /nfs/dbraw/zinc/02/97/35/882029735.db2.gz RTCULTCPCWKHJM-UHFFFAOYSA-N 1 0 321.377 1.712 20 5 DDBDRO C[NH+](C)CCOc1cc(NCCn2ccnn2)ccc1[N+](=O)[O-] ZINC001161930370 867108635 /nfs/dbraw/zinc/10/86/35/867108635.db2.gz QZPBBMYZTKYMIV-UHFFFAOYSA-N 1 0 320.353 1.239 20 5 DDBDRO C[C@@H](CN1CC[NH2+]CC1)Nc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC001162093074 867247381 /nfs/dbraw/zinc/24/73/81/867247381.db2.gz DNDNLXAIZOFFKA-LBPRGKRZSA-N 1 0 319.409 1.574 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@@H]2C1 ZINC001334442967 867571181 /nfs/dbraw/zinc/57/11/81/867571181.db2.gz FLIROHJNFFACKP-QJPTWQEYSA-N 1 0 321.381 1.131 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])c(N[C@@H]2CC[NH2+][C@@H]2C)cc1OC ZINC001162677865 867717456 /nfs/dbraw/zinc/71/74/56/867717456.db2.gz TXQZLCMYINYOOE-PSASIEDQSA-N 1 0 309.322 1.552 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccccc1OC(F)(F)F ZINC001225944016 882122878 /nfs/dbraw/zinc/12/28/78/882122878.db2.gz GSONPJLMXKLTOB-SNVBAGLBSA-N 1 0 322.303 1.948 20 5 DDBDRO COc1cc(N2Cc3ccccc3C[C@H]2C[NH3+])ncc1[N+](=O)[O-] ZINC001162740824 867788903 /nfs/dbraw/zinc/78/89/03/867788903.db2.gz UXORENKGKLQUFD-ZDUSSCGKSA-N 1 0 314.345 1.888 20 5 DDBDRO Cc1c[n+]([O-])c(N2C[C@@H]([NH3+])Cc3ccccc32)cc1[N+](=O)[O-] ZINC001162845394 867862686 /nfs/dbraw/zinc/86/26/86/867862686.db2.gz TZFIAMWBPZUCGV-LBPRGKRZSA-N 1 0 300.318 1.558 20 5 DDBDRO COc1cc([N+](=O)[O-])c(N[C@H]2COCCC23C[NH2+]C3)cc1F ZINC001163073763 868057191 /nfs/dbraw/zinc/05/71/91/868057191.db2.gz QXTFUJLLZKYAIE-ZDUSSCGKSA-N 1 0 311.313 1.533 20 5 DDBDRO COc1cccc([C@@H](C[NH3+])Nc2ccc([N+](=O)[O-])c(N)n2)c1 ZINC001163308328 868333164 /nfs/dbraw/zinc/33/31/64/868333164.db2.gz AZLPDLKPFGYWQT-LLVKDONJSA-N 1 0 303.322 1.693 20 5 DDBDRO Cc1cncc([N+](=O)[O-])c1NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001322706012 868338325 /nfs/dbraw/zinc/33/83/25/868338325.db2.gz NNSIVIVCSRHPRN-ZDUSSCGKSA-N 1 0 320.393 1.633 20 5 DDBDRO CN(c1ncc(C(C)(C)C)cc1[N+](=O)[O-])S(=O)(=O)CC[NH3+] ZINC001164287416 869088138 /nfs/dbraw/zinc/08/81/38/869088138.db2.gz PWYIPZBBRIUQJO-UHFFFAOYSA-N 1 0 316.383 1.012 20 5 DDBDRO COC1(OC)CC(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001336748071 869122341 /nfs/dbraw/zinc/12/23/41/869122341.db2.gz DEEOOSUEZOXELY-CQSZACIVSA-N 1 0 310.350 1.617 20 5 DDBDRO C[NH+](C)C[C@]12C[C@H]1CN(c1ncnc3ccc([N+](=O)[O-])cc31)C2 ZINC001165184505 869418594 /nfs/dbraw/zinc/41/85/94/869418594.db2.gz PDLGHYJYQHGPFI-ZBEGNZNMSA-N 1 0 313.361 1.926 20 5 DDBDRO COC(=O)c1cnc(N2CC[N@H+](C(C)C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC001165199234 869422212 /nfs/dbraw/zinc/42/22/12/869422212.db2.gz KUCSDRPBTUZJES-LLVKDONJSA-N 1 0 322.365 1.695 20 5 DDBDRO Nc1nc(N2CCCC[C@H]2C2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC001165325424 869518347 /nfs/dbraw/zinc/51/83/47/869518347.db2.gz ZOKWUJVWHZYCIE-LBPRGKRZSA-N 1 0 305.382 1.931 20 5 DDBDRO COc1cccc(N[C@H](C)[C@@H]2C[N@H+](C)CCN2C)c1[N+](=O)[O-] ZINC001338084768 869791174 /nfs/dbraw/zinc/79/11/74/869791174.db2.gz SFRITYOSQOMIAC-YPMHNXCESA-N 1 0 308.382 1.650 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@@H](O)c2ccncc2)cc1 ZINC001338420237 869971648 /nfs/dbraw/zinc/97/16/48/869971648.db2.gz WEUPGDSGQZRKPT-LSDHHAIUSA-N 1 0 303.318 1.346 20 5 DDBDRO C[NH+](C)[C@@H]1C[C@H](NC[C@@H](O)c2cccc([N+](=O)[O-])c2)C1(C)C ZINC001338553535 870043343 /nfs/dbraw/zinc/04/33/43/870043343.db2.gz XUEVENUQZRSYCN-QLFBSQMISA-N 1 0 307.394 1.947 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@H](NC(=O)CCC2CC2)C1 ZINC001317072491 870200675 /nfs/dbraw/zinc/20/06/75/870200675.db2.gz FWLNGPMYRRHILU-HAQNSBGRSA-N 1 0 321.381 1.255 20 5 DDBDRO N=c1sc2c(n1-c1ccc3[nH]cc([N+](=O)[O-])c3n1)CC[NH2+]C2 ZINC001166860281 870324588 /nfs/dbraw/zinc/32/45/88/870324588.db2.gz KIFLCIHIJPWSJN-UHFFFAOYSA-N 1 0 316.346 1.448 20 5 DDBDRO N=c1sc2c(n1-c1cc([N+](=O)[O-])c3cc[nH]c3n1)CC[NH2+]C2 ZINC001166860955 870327745 /nfs/dbraw/zinc/32/77/45/870327745.db2.gz XVPNLZIXEYRMNA-UHFFFAOYSA-N 1 0 316.346 1.448 20 5 DDBDRO [NH3+][C@H]1CCN(c2cnc3cc([N+](=O)[O-])ccc3n2)CC1(F)F ZINC001166961090 870424665 /nfs/dbraw/zinc/42/46/65/870424665.db2.gz MUXYDMTWABJSPY-NSHDSACASA-N 1 0 309.276 1.711 20 5 DDBDRO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cccc([N+](=O)[O-])c3N)[C@@H]2C1 ZINC001305873762 871307443 /nfs/dbraw/zinc/30/74/43/871307443.db2.gz KQCIQNDXWBBDPU-MVWJERBFSA-N 1 0 304.350 1.247 20 5 DDBDRO CCn1c([C@@H](C)[N+](=O)[O-])nnc1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC001340877176 871404476 /nfs/dbraw/zinc/40/44/76/871404476.db2.gz CRXZWLLICMCJAS-GRYCIOLGSA-N 1 0 310.402 1.555 20 5 DDBDRO CN(C)C(=O)[C@@H]1CCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001308109349 871473315 /nfs/dbraw/zinc/47/33/15/871473315.db2.gz VMMLXNVERUDWHG-HIFRSBDPSA-N 1 0 321.377 1.428 20 5 DDBDRO CCOc1ccc(C(=O)N2CC[C@@H](CC[NH3+])C2)cc1[N+](=O)[O-] ZINC001341123868 871511425 /nfs/dbraw/zinc/51/14/25/871511425.db2.gz QTIWKOJHLLACBQ-LLVKDONJSA-N 1 0 307.350 1.804 20 5 DDBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)c1ccn[nH]1 ZINC001308637822 871517518 /nfs/dbraw/zinc/51/75/18/871517518.db2.gz RJLLQMAZSIEROC-UHFFFAOYSA-N 1 0 323.740 1.491 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H](C)[C@H]1CN(C)CCN1C ZINC001308948985 871537930 /nfs/dbraw/zinc/53/79/30/871537930.db2.gz UWLVGWGTOVMINN-WMLDXEAASA-N 1 0 320.437 1.936 20 5 DDBDRO [NH3+]C[C@@]12CC[C@@H]1CCN2C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC001341483087 871678834 /nfs/dbraw/zinc/67/88/34/871678834.db2.gz MIZDKTKZKKOYRR-BMIGLBTASA-N 1 0 323.324 1.453 20 5 DDBDRO C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC001342416418 872198034 /nfs/dbraw/zinc/19/80/34/872198034.db2.gz PYOONNVUFAWQLL-DGCLKSJQSA-N 1 0 318.377 1.533 20 5 DDBDRO O=C(CNc1ccccc1[N+](=O)[O-])N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001342731672 872358412 /nfs/dbraw/zinc/35/84/12/872358412.db2.gz SVZSTBASJGDWKX-MRXNPFEDSA-N 1 0 318.377 1.751 20 5 DDBDRO [NH3+]C[C@]12CC[C@@H]1CCCN2C(=O)COc1cccc([N+](=O)[O-])c1 ZINC001342853595 872414896 /nfs/dbraw/zinc/41/48/96/872414896.db2.gz WANVQFPUSMNFPQ-BLLLJJGKSA-N 1 0 319.361 1.704 20 5 DDBDRO C/C=C(/C)C(=O)NC1CCN(Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC001226809150 882665689 /nfs/dbraw/zinc/66/56/89/882665689.db2.gz ABDQAPKBKUQPQE-WCIBSUBMSA-N 1 0 321.381 1.375 20 5 DDBDRO C[C@@H]1CN(C(=O)COc2ccccc2[N+](=O)[O-])C[C@H]1CC[NH3+] ZINC001344665364 873070943 /nfs/dbraw/zinc/07/09/43/873070943.db2.gz AMNYVTDYQDAWGS-VXGBXAGGSA-N 1 0 307.350 1.417 20 5 DDBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)c1nnnn1C ZINC001207732611 873512460 /nfs/dbraw/zinc/51/24/60/873512460.db2.gz MEVZKIIHWBTRAQ-GHMZBOCLSA-N 1 0 304.354 1.790 20 5 DDBDRO [NH3+][C@H]1C[C@H](NC(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC001346406922 873737561 /nfs/dbraw/zinc/73/75/61/873737561.db2.gz GOBZIZYMWSKZTM-LJGSYFOKSA-N 1 0 314.139 1.577 20 5 DDBDRO [NH3+][C@H]1C[C@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC001346407747 873738013 /nfs/dbraw/zinc/73/80/13/873738013.db2.gz NYRUFJIOVJMMER-ZKCHVHJHSA-N 1 0 314.139 1.577 20 5 DDBDRO Cc1cncc([N+](=O)[O-])c1N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC001347267441 874077820 /nfs/dbraw/zinc/07/78/20/874077820.db2.gz BCIJFOHTMSXORT-ZDUSSCGKSA-N 1 0 306.366 1.334 20 5 DDBDRO Cc1c([C@H](C)[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)cnn1C ZINC001349608205 875261550 /nfs/dbraw/zinc/26/15/50/875261550.db2.gz IWYUOLUFMRUXIR-GCVQQVDUSA-N 1 0 304.354 1.888 20 5 DDBDRO COC(=O)c1ccnc(N[C@@H]2C[NH+]3CCC2CC3)c1[N+](=O)[O-] ZINC001354314998 877876974 /nfs/dbraw/zinc/87/69/74/877876974.db2.gz PYFOUKKHHBOHJE-LLVKDONJSA-N 1 0 306.322 1.283 20 5 DDBDRO [NH3+][C@@H](Cc1c2ccccc2cc2ccccc21)C(=O)NCCO ZINC001219555577 878329324 /nfs/dbraw/zinc/32/93/24/878329324.db2.gz HDBHDXGDRIISPD-SFHVURJKSA-N 1 0 308.381 1.971 20 5 DDBDRO C[C@@H]1C[NH2+]C[C@H]1CNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC001357241152 879875204 /nfs/dbraw/zinc/87/52/04/879875204.db2.gz GMWPBCQNGGLLEX-YPMHNXCESA-N 1 0 306.366 1.292 20 5 DDBDRO Cc1ccc(CNC(=O)N2CCC[C@]23CC[NH2+]C3)cc1[N+](=O)[O-] ZINC001357532326 880034562 /nfs/dbraw/zinc/03/45/62/880034562.db2.gz KZZCSCVOKDISNJ-MRXNPFEDSA-N 1 0 318.377 1.941 20 5 DDBDRO Cc1c(COC(=O)C[C@@H](O)C[N+](C)(C)C)cccc1[N+](=O)[O-] ZINC001223331258 880920184 /nfs/dbraw/zinc/92/01/84/880920184.db2.gz IFADJXOYHODBKI-CYBMUJFWSA-N 1 0 311.358 1.404 20 5 DDBDRO CC(=O)Oc1cccc(COC(=O)C[C@@H](O)C[N+](C)(C)C)c1 ZINC001224173156 881254239 /nfs/dbraw/zinc/25/42/39/881254239.db2.gz TWJGSOVQQQTDTJ-CQSZACIVSA-N 1 0 310.370 1.112 20 5 DDBDRO CC(C)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1nc[nH]c(=O)c1[N+](=O)[O-])C2 ZINC001228140096 883359848 /nfs/dbraw/zinc/35/98/48/883359848.db2.gz FXZZVGWZXFUSFN-URLYPYJESA-N 1 0 308.338 1.873 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1nnc(Cl)cc1Cl ZINC001228980800 883753941 /nfs/dbraw/zinc/75/39/41/883753941.db2.gz OSFPBSFTZMXCKL-SSDOTTSWSA-N 1 0 309.173 1.146 20 5 DDBDRO C[NH+]1CCC(Oc2n[nH]c(=O)c3ccc([N+](=O)[O-])cc32)CC1 ZINC001229362312 883943499 /nfs/dbraw/zinc/94/34/99/883943499.db2.gz TWEQMGDUYMHDHA-UHFFFAOYSA-N 1 0 304.306 1.717 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(OC(=O)C[C@@H](O)C[N+](C)(C)C)cc1F ZINC001229895039 884213723 /nfs/dbraw/zinc/21/37/23/884213723.db2.gz OHMYZJFAFHRACQ-SNVBAGLBSA-N 1 0 315.321 1.405 20 5 DDBDRO O=C1CCNC[C@H]1[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001246297297 892519697 /nfs/dbraw/zinc/51/96/97/892519697.db2.gz YZHHXQSTXOOHKA-DZGCQCFKSA-N 1 0 303.362 1.363 20 5 DDBDRO C[C@@]1(Cc2nc(-c3ncc(F)cc3[N+](=O)[O-])no2)CC[NH2+]C1 ZINC001247798554 893379582 /nfs/dbraw/zinc/37/95/82/893379582.db2.gz RZCFHBAGIWSFKI-ZDUSSCGKSA-N 1 0 307.285 1.721 20 5 DDBDRO O=C1C[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCN1 ZINC001254465818 896452962 /nfs/dbraw/zinc/45/29/62/896452962.db2.gz MGRLZHIUVLZIMA-CYBMUJFWSA-N 1 0 318.377 1.432 20 5 DDBDRO Cc1nc(=N)n([C@H](C)Cc2ccccc2[N+](=O)[O-])cc1C[NH3+] ZINC001254549826 896498073 /nfs/dbraw/zinc/49/80/73/896498073.db2.gz XHMGOIKQPUFMSK-SNVBAGLBSA-N 1 0 301.350 1.842 20 5 DDBDRO COC(=O)C1(C[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCC1 ZINC001254584142 896515462 /nfs/dbraw/zinc/51/54/62/896515462.db2.gz QEFBHCITCOYGIF-ZDUSSCGKSA-N 1 0 304.346 1.995 20 5 DDBDRO O=C(CN1C2CCC1(CO)CC2)Nc1ccccc1[N+](=O)[O-] ZINC001262313645 900100763 /nfs/dbraw/zinc/10/07/63/900100763.db2.gz PBOVCJNQEBGWBU-UHFFFAOYSA-N 1 0 305.334 1.523 20 5 DDBDRO CC[N@@H+]1CCN(c2nnc([C@@H](C)[N+](=O)[O-])n2CC(C)C)C[C@@H]1C ZINC001263415597 900605023 /nfs/dbraw/zinc/60/50/23/900605023.db2.gz HFMFGEIQCCKOEG-QWHCGFSZSA-N 1 0 324.429 1.802 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)O[C@H](C)CC[NH+]1CCCC1 ZINC001263659034 900664513 /nfs/dbraw/zinc/66/45/13/900664513.db2.gz DAFQHTYOHXQNDI-GFCCVEGCSA-N 1 0 324.381 1.907 20 5 DDBDRO CC(C)(O)[C@H]1CCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248438513 282083074 /nfs/dbraw/zinc/08/30/74/282083074.db2.gz BXARNSSQBODSOK-IUODEOHRSA-N 1 0 324.377 1.570 20 5 DDBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2(O)CCOCC2)c(Cl)c1 ZINC000162625288 197580009 /nfs/dbraw/zinc/58/00/09/197580009.db2.gz JIHAHBFOOQCBBM-UHFFFAOYSA-N 1 0 300.742 1.879 20 5 DDBDRO CCc1n[nH]c(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000444272740 529465269 /nfs/dbraw/zinc/46/52/69/529465269.db2.gz YXKIKJUWEHJHEG-SNVBAGLBSA-N 1 0 307.354 1.189 20 5 DDBDRO CNC(=O)CCC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447529674 529854789 /nfs/dbraw/zinc/85/47/89/529854789.db2.gz MOPMKGKAQPALON-NWDGAFQWSA-N 1 0 309.370 1.391 20 5 DDBDRO C[N@@H+]1CC[C@H]2CCN(c3nc4sccn4c3[N+](=O)[O-])[C@H]2C1 ZINC000272209566 282317246 /nfs/dbraw/zinc/31/72/46/282317246.db2.gz PXRNYWMHVZGYGQ-UWVGGRQHSA-N 1 0 307.379 1.834 20 5 DDBDRO C[NH+](C)CC(C)(C)NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000457230179 232019596 /nfs/dbraw/zinc/01/95/96/232019596.db2.gz FBSXFCJTKDXWDM-UHFFFAOYSA-N 1 0 309.322 1.394 20 5 DDBDRO COC[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000181702047 199340790 /nfs/dbraw/zinc/34/07/90/199340790.db2.gz CDSIFFBCRVJEST-LSDHHAIUSA-N 1 0 320.349 1.130 20 5 DDBDRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000616029090 362525418 /nfs/dbraw/zinc/52/54/18/362525418.db2.gz XPIFXCMPJAIRGI-VXGBXAGGSA-N 1 0 307.350 1.573 20 5 DDBDRO COC(=O)COc1ccc(C[NH2+]CCSC)cc1[N+](=O)[O-] ZINC000616088155 362542607 /nfs/dbraw/zinc/54/26/07/362542607.db2.gz LXMSOENMWDYTGP-UHFFFAOYSA-N 1 0 314.363 1.599 20 5 DDBDRO COc1ccc(CC(=O)NC(C)(C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000564295908 303992671 /nfs/dbraw/zinc/99/26/71/303992671.db2.gz SHULPJUWEIFPNI-UHFFFAOYSA-N 1 0 309.366 1.602 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2C[C@@H]2c2ccccc2)c1 ZINC000314786274 290807228 /nfs/dbraw/zinc/80/72/28/290807228.db2.gz JISQMTGXQNWZGQ-RBSFLKMASA-N 1 0 302.334 1.298 20 5 DDBDRO C[C@@H]([NH3+])[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000447244195 302395824 /nfs/dbraw/zinc/39/58/24/302395824.db2.gz CKURTMLFCAVFRD-SFYZADRCSA-N 1 0 305.381 1.014 20 5 DDBDRO Cc1sc(S(=O)(=O)N[C@@H](C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000342522626 282563450 /nfs/dbraw/zinc/56/34/50/282563450.db2.gz GXRVCWOXDVZJKS-QMMMGPOBSA-N 1 0 321.424 1.583 20 5 DDBDRO O=[N+]([O-])c1ccc(CS(=O)(=O)N[C@@H]2CCCC[NH2+]C2)cc1 ZINC000070120738 190859400 /nfs/dbraw/zinc/85/94/00/190859400.db2.gz AJRJDYVCUIIJCK-GFCCVEGCSA-N 1 0 313.379 1.156 20 5 DDBDRO Cn1cncc1CC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000459379237 233145246 /nfs/dbraw/zinc/14/52/46/233145246.db2.gz PDLGEGNAELSWTK-LBPRGKRZSA-N 1 0 316.365 1.452 20 5 DDBDRO C[NH2+][C@H]1CCCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000133779950 186011537 /nfs/dbraw/zinc/01/15/37/186011537.db2.gz YIKUJTRWTTWCAH-JTQLQIEISA-N 1 0 311.313 1.323 20 5 DDBDRO C[C@@H]1CSCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181902554 186216664 /nfs/dbraw/zinc/21/66/64/186216664.db2.gz PZPFXNFINAYNEN-NEPJUHHUSA-N 1 0 312.391 1.772 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@H]3CCCCO3)CC2)cn1 ZINC000026483364 352209931 /nfs/dbraw/zinc/20/99/31/352209931.db2.gz WYMRYJIIWCJUCY-CQSZACIVSA-N 1 0 306.366 1.681 20 5 DDBDRO COc1cc(N2CCC([N@H+](C)CCCO)CC2)ccc1[N+](=O)[O-] ZINC000172760586 198146240 /nfs/dbraw/zinc/14/62/40/198146240.db2.gz KUEMXMZOSHRSBJ-UHFFFAOYSA-N 1 0 323.393 1.886 20 5 DDBDRO CCC[N@H+](CCOc1cccc([N+](=O)[O-])c1)CC(=O)N(C)C ZINC000056510402 352776400 /nfs/dbraw/zinc/77/64/00/352776400.db2.gz RSGZNGVCOOKSFB-UHFFFAOYSA-N 1 0 309.366 1.774 20 5 DDBDRO O=[N+]([O-])c1cccc(CN2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000057885866 352833567 /nfs/dbraw/zinc/83/35/67/352833567.db2.gz HZWYXTSAWXEEJM-INIZCTEOSA-N 1 0 305.378 1.891 20 5 DDBDRO C[NH+](C)C1(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)CCCC1 ZINC000063836381 352926775 /nfs/dbraw/zinc/92/67/75/352926775.db2.gz QTLIXXSVDZIXGM-UHFFFAOYSA-N 1 0 324.356 1.920 20 5 DDBDRO O=[N+]([O-])c1cnccc1N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000066811334 353017881 /nfs/dbraw/zinc/01/78/81/353017881.db2.gz XMLVUOOOZKEDHP-UHFFFAOYSA-N 1 0 320.393 1.929 20 5 DDBDRO C[C@@H](CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[NH+]1CCCC1 ZINC000068064868 353084621 /nfs/dbraw/zinc/08/46/21/353084621.db2.gz CDTGHOSFOYHVKR-JTQLQIEISA-N 1 0 317.349 1.685 20 5 DDBDRO CC[NH+](CC)[C@H]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000174168742 198301064 /nfs/dbraw/zinc/30/10/64/198301064.db2.gz BDAVMKSDRQILEL-NSHDSACASA-N 1 0 324.356 1.872 20 5 DDBDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000076268917 353409815 /nfs/dbraw/zinc/40/98/15/353409815.db2.gz CDPZOKCWRGVHBW-GMTAPVOTSA-N 1 0 308.386 1.745 20 5 DDBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)CN2CCCC2=O)cc1[N+](=O)[O-] ZINC000089514842 353774463 /nfs/dbraw/zinc/77/44/63/353774463.db2.gz RNHIHAXAYDNYNE-TZMCWYRMSA-N 1 0 321.377 1.537 20 5 DDBDRO C[C@H](CCNC(=O)CCn1cc([N+](=O)[O-])cn1)[NH+]1CCCCC1 ZINC000182243956 199409372 /nfs/dbraw/zinc/40/93/72/199409372.db2.gz RREORFMBOFNJEQ-CYBMUJFWSA-N 1 0 323.397 1.562 20 5 DDBDRO CCOc1cc(CN2CC[N@H+](CCO)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000492817800 234604431 /nfs/dbraw/zinc/60/44/31/234604431.db2.gz LLNQYFOMDZVNNI-CYBMUJFWSA-N 1 0 323.393 1.492 20 5 DDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000124941987 354043475 /nfs/dbraw/zinc/04/34/75/354043475.db2.gz IUWWQPUVIIVHSU-QWRGUYRKSA-N 1 0 313.379 1.451 20 5 DDBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cccc([N+](=O)[O-])c1OC ZINC000142976649 354146675 /nfs/dbraw/zinc/14/66/75/354146675.db2.gz DGZGOHQYWOZCRA-NSHDSACASA-N 1 0 307.350 1.818 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+](CCO)CC2CC2)c1 ZINC000143218682 354148527 /nfs/dbraw/zinc/14/85/27/354148527.db2.gz MAVGZPRZFQLEOU-AWEZNQCLSA-N 1 0 310.350 1.039 20 5 DDBDRO O=C(COc1ccccc1[N+](=O)[O-])N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000144479293 354154270 /nfs/dbraw/zinc/15/42/70/354154270.db2.gz UMISSTUGGPNSCQ-LLVKDONJSA-N 1 0 305.334 1.327 20 5 DDBDRO O=C(COC1CC[NH2+]CC1)NCCc1ccc([N+](=O)[O-])cc1 ZINC000316291663 354501600 /nfs/dbraw/zinc/50/16/00/354501600.db2.gz KTMQVDSRJBWWBM-UHFFFAOYSA-N 1 0 307.350 1.022 20 5 DDBDRO C[C@@H]1C[NH2+]C[C@H](C)N1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000493547090 234854601 /nfs/dbraw/zinc/85/46/01/234854601.db2.gz NSICUMXLYRPXGX-PHIMTYICSA-N 1 0 317.349 1.827 20 5 DDBDRO CCO[C@@H]1CN(C(=O)c2cc(C)cc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000405348736 354678744 /nfs/dbraw/zinc/67/87/44/354678744.db2.gz SDPLASSSDCPCBB-TZMCWYRMSA-N 1 0 307.350 1.339 20 5 DDBDRO CC(C)[N@@H+]1CC[C@@H](CNc2cc(N)c([N+](=O)[O-])c(CO)c2)C1 ZINC000587528830 354883581 /nfs/dbraw/zinc/88/35/81/354883581.db2.gz ZFSVRVLCWOZBNM-NSHDSACASA-N 1 0 308.382 1.812 20 5 DDBDRO Nc1cc(N2CC[C@H]([NH+]3CC=CC3)C2)cc(CO)c1[N+](=O)[O-] ZINC000587985952 354888845 /nfs/dbraw/zinc/88/88/45/354888845.db2.gz UAFBLRBNVAYGSV-LBPRGKRZSA-N 1 0 304.350 1.120 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000591439034 355311095 /nfs/dbraw/zinc/31/10/95/355311095.db2.gz QWIFWNMFCVRFID-AAEUAGOBSA-N 1 0 319.361 1.878 20 5 DDBDRO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(c2ncc([N+](=O)[O-])s2)CC1 ZINC000591446048 355312749 /nfs/dbraw/zinc/31/27/49/355312749.db2.gz OCSQIFNDTOTRCG-ZYHUDNBSSA-N 1 0 312.395 1.774 20 5 DDBDRO COc1ccc(OCCN2CC[C@H]3CC[NH2+][C@@H]3C2)c([N+](=O)[O-])c1 ZINC000591449336 355314417 /nfs/dbraw/zinc/31/44/17/355314417.db2.gz VNQANHSUAVVROG-TZMCWYRMSA-N 1 0 321.377 1.666 20 5 DDBDRO COc1ccc(CC(=O)N[C@@H]2CCC[NH2+][C@@H]2C)cc1[N+](=O)[O-] ZINC000591586588 355330791 /nfs/dbraw/zinc/33/07/91/355330791.db2.gz KIUKTAYHDNIBCR-ZYHUDNBSSA-N 1 0 307.350 1.403 20 5 DDBDRO CCN1CC[C@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1=O ZINC000591765736 355380352 /nfs/dbraw/zinc/38/03/52/355380352.db2.gz DJKGOBZQGKBLMX-LBPRGKRZSA-N 1 0 320.349 1.134 20 5 DDBDRO COc1ccc(CC(=O)NC[C@@H]2CCCC[NH2+]2)cc1[N+](=O)[O-] ZINC000591677888 355360172 /nfs/dbraw/zinc/36/01/72/355360172.db2.gz WWYAXPJKOYLJAY-LBPRGKRZSA-N 1 0 307.350 1.404 20 5 DDBDRO Cc1c(CNC(=O)[C@@H]2C[NH2+]CCC2(F)F)cccc1[N+](=O)[O-] ZINC000591685676 355361652 /nfs/dbraw/zinc/36/16/52/355361652.db2.gz IRSLTGDRKLSPEO-NSHDSACASA-N 1 0 313.304 1.764 20 5 DDBDRO C[NH+]1CCC2(CC1)CN(c1ncc([N+](=O)[O-])cc1F)CCO2 ZINC000591993866 355455938 /nfs/dbraw/zinc/45/59/38/355455938.db2.gz YPTQVLIYTVWCJY-UHFFFAOYSA-N 1 0 310.329 1.430 20 5 DDBDRO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592255452 355547875 /nfs/dbraw/zinc/54/78/75/355547875.db2.gz PSMXJXYGQNUUHT-MNOVXSKESA-N 1 0 307.354 1.170 20 5 DDBDRO C[C@H](CCC[NH3+])NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000592337145 355561733 /nfs/dbraw/zinc/56/17/33/355561733.db2.gz GJRBVEOHVKOVTQ-SECBINFHSA-N 1 0 318.333 1.706 20 5 DDBDRO C[C@@H]1CC2(C[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CCOCC2 ZINC000592183077 355527924 /nfs/dbraw/zinc/52/79/24/355527924.db2.gz QZAUSFSTTUEVCZ-OCCSQVGLSA-N 1 0 324.381 1.043 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000592476549 355593634 /nfs/dbraw/zinc/59/36/34/355593634.db2.gz IIKQECQFLHZAPJ-STQMWFEESA-N 1 0 321.377 1.708 20 5 DDBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000592393970 355574583 /nfs/dbraw/zinc/57/45/83/355574583.db2.gz LZIHODHDJQGQQE-BDAKNGLRSA-N 1 0 317.367 1.008 20 5 DDBDRO C[C@H]1C[C@@H](C[NH3+])CN1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000592428715 355580092 /nfs/dbraw/zinc/58/00/92/355580092.db2.gz PVQMLCOXXJCMIP-QWRGUYRKSA-N 1 0 307.350 1.535 20 5 DDBDRO O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000592544898 355623285 /nfs/dbraw/zinc/62/32/85/355623285.db2.gz JQGOPQQICBUDJQ-MWLCHTKSSA-N 1 0 319.317 1.148 20 5 DDBDRO O=C(Cn1ccc([N+](=O)[O-])n1)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592554752 355626851 /nfs/dbraw/zinc/62/68/51/355626851.db2.gz ONZWWINAKOUYRW-QWHCGFSZSA-N 1 0 321.381 1.030 20 5 DDBDRO CCCN(C(=O)c1[nH]nc(CC)c1[N+](=O)[O-])[C@H]1CC[N@H+](C)C1 ZINC000592830451 355706119 /nfs/dbraw/zinc/70/61/19/355706119.db2.gz FEGSWKWHMNSGHK-JTQLQIEISA-N 1 0 309.370 1.437 20 5 DDBDRO COC[C@H]1C[C@@H](O)C[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000593066361 355785769 /nfs/dbraw/zinc/78/57/69/355785769.db2.gz MMBVZCKYSCOZFC-ZIAGYGMSSA-N 1 0 310.350 1.445 20 5 DDBDRO C[C@@H]1[C@H](C)N(C(=O)CCn2cc([N+](=O)[O-])cn2)[C@@H](C)C[N@@H+]1C ZINC000593187838 355821299 /nfs/dbraw/zinc/82/12/99/355821299.db2.gz USWHIQWUFBGJCU-TUAOUCFPSA-N 1 0 309.370 1.121 20 5 DDBDRO O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CC[C@H]([NH+]2CCCC2)C1 ZINC000593448166 355888240 /nfs/dbraw/zinc/88/82/40/355888240.db2.gz IQKQNKYXDNUXEO-AWEZNQCLSA-N 1 0 321.352 1.973 20 5 DDBDRO Cc1cc(N2CCN(CC[NH+](C)C)C(=O)C2)c(F)cc1[N+](=O)[O-] ZINC000593486454 355900576 /nfs/dbraw/zinc/90/05/76/355900576.db2.gz YGAHYUJYOXXNQW-UHFFFAOYSA-N 1 0 324.356 1.253 20 5 DDBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000601329867 358500258 /nfs/dbraw/zinc/50/02/58/358500258.db2.gz NSWKKBIJSJHXAT-SDDRHHMPSA-N 1 0 304.350 1.358 20 5 DDBDRO [NH3+]C[C@H](NC(=O)CCNc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000594451061 356221749 /nfs/dbraw/zinc/22/17/49/356221749.db2.gz FTVUELDAROXFCJ-JTQLQIEISA-N 1 0 320.271 1.403 20 5 DDBDRO NC(=O)c1cc([N+](=O)[O-])cnc1N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594600566 356261313 /nfs/dbraw/zinc/26/13/13/356261313.db2.gz MFEFLQSWRUFQBP-CHWSQXEVSA-N 1 0 319.365 1.518 20 5 DDBDRO C[C@@H]([NH2+][C@H]1CCc2c(nnn2C)C1)c1cccc([N+](=O)[O-])c1 ZINC000594522376 356241833 /nfs/dbraw/zinc/24/18/33/356241833.db2.gz QNQZKFBIAZAKRJ-PWSUYJOCSA-N 1 0 301.350 1.931 20 5 DDBDRO [NH3+]C[C@@H](NC(=O)NCCc1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000594523951 356242125 /nfs/dbraw/zinc/24/21/25/356242125.db2.gz FOZXAIIGYQTUNN-SNVBAGLBSA-N 1 0 320.271 1.326 20 5 DDBDRO [NH3+]C[C@H](NC(=O)NCc1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000594523782 356242647 /nfs/dbraw/zinc/24/26/47/356242647.db2.gz DCGSWUKWTDCGLK-VIFPVBQESA-N 1 0 306.244 1.284 20 5 DDBDRO C[C@@]1(CC[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1(F)F ZINC000594733558 356301079 /nfs/dbraw/zinc/30/10/79/356301079.db2.gz YGXNAQLYESAEGO-GHMZBOCLSA-N 1 0 304.297 1.177 20 5 DDBDRO COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000594919638 356354039 /nfs/dbraw/zinc/35/40/39/356354039.db2.gz IEIVOAYASKSNQZ-OASPWFOLSA-N 1 0 308.334 1.891 20 5 DDBDRO C[NH2+]C[C@H](C)NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000595263991 356425387 /nfs/dbraw/zinc/42/53/87/356425387.db2.gz GSRAPMHLOCPFQY-VIFPVBQESA-N 1 0 314.773 1.698 20 5 DDBDRO Cc1noc(C[N@H+]2CC[C@H](Cc3cnn(C)c3)C2)c1[N+](=O)[O-] ZINC000595339544 356454999 /nfs/dbraw/zinc/45/49/99/356454999.db2.gz YHLPEDCALJQYKN-LLVKDONJSA-N 1 0 305.338 1.689 20 5 DDBDRO CNC(=O)CC[C@H]1CCCC[N@@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595485257 356512113 /nfs/dbraw/zinc/51/21/13/356512113.db2.gz WWIQJBXZWJOXLD-LLVKDONJSA-N 1 0 310.354 1.772 20 5 DDBDRO CC(C)[N@H+](C)C[C@@H](O)CN(C)CCc1ccccc1[N+](=O)[O-] ZINC000595484440 356512813 /nfs/dbraw/zinc/51/28/13/356512813.db2.gz LCKAYEZTTVMDEM-HNNXBMFYSA-N 1 0 309.410 1.770 20 5 DDBDRO Cc1noc(CN2CCC[C@@H]([NH+]3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000595473632 356507278 /nfs/dbraw/zinc/50/72/78/356507278.db2.gz YMXSCOGSGWTFJE-CYBMUJFWSA-N 1 0 324.381 1.578 20 5 DDBDRO Cc1noc(CN2CC[N@H+](C3CCOCC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000595480450 356510609 /nfs/dbraw/zinc/51/06/09/356510609.db2.gz KMVALUJLMYWVBN-NSHDSACASA-N 1 0 324.381 1.576 20 5 DDBDRO O=C(C[NH2+]C1(CCO)CCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000595507883 356523852 /nfs/dbraw/zinc/52/38/52/356523852.db2.gz CBJRBSQDGOVQGQ-UHFFFAOYSA-N 1 0 307.350 1.818 20 5 DDBDRO O=C1C[C@@H](C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CN1 ZINC000595521972 356532309 /nfs/dbraw/zinc/53/23/09/356532309.db2.gz HHNSATOMPDZWQN-TZMCWYRMSA-N 1 0 303.362 1.910 20 5 DDBDRO C[C@@H]1CCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H]1CCO ZINC000595695906 356612348 /nfs/dbraw/zinc/61/23/48/356612348.db2.gz JBFUFRFUZJUKGA-RISCZKNCSA-N 1 0 321.377 1.677 20 5 DDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@H](C)C[NH3+] ZINC000236981876 202106414 /nfs/dbraw/zinc/10/64/14/202106414.db2.gz CRBBHILGZWYSNV-SECBINFHSA-N 1 0 301.368 1.125 20 5 DDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H]2COC[C@@]2(C)C1 ZINC000595755407 356637137 /nfs/dbraw/zinc/63/71/37/356637137.db2.gz ADXYPANMRDXJOW-XHBSWPGZSA-N 1 0 319.361 1.890 20 5 DDBDRO COc1ccc(OCC[NH2+][C@@H]2C[C@@H](O)C23CCC3)c([N+](=O)[O-])c1 ZINC000595786037 356651968 /nfs/dbraw/zinc/65/19/68/356651968.db2.gz YXASLTWUHCVFRH-HUUCEWRRSA-N 1 0 322.361 1.875 20 5 DDBDRO C[C@@H]1C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@]1(C)CO ZINC000595871948 356686712 /nfs/dbraw/zinc/68/67/12/356686712.db2.gz IXWCYTFQLSDQEG-MEBBXXQBSA-N 1 0 307.350 1.144 20 5 DDBDRO CC[N@@H+]1CCCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000618279326 363562006 /nfs/dbraw/zinc/56/20/06/363562006.db2.gz UJLHZAAOFNQXHT-UHFFFAOYSA-N 1 0 303.366 1.999 20 5 DDBDRO Cc1c(NC(=O)CCN(C)CC(C)(C)[NH3+])cccc1[N+](=O)[O-] ZINC000595903466 356699211 /nfs/dbraw/zinc/69/92/11/356699211.db2.gz WXCLBWIFMVLITM-UHFFFAOYSA-N 1 0 308.382 1.901 20 5 DDBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000595952335 356720251 /nfs/dbraw/zinc/72/02/51/356720251.db2.gz ZESMOLONVOIRFK-NLTNOIMHSA-N 1 0 321.402 1.944 20 5 DDBDRO COC(=O)c1cc(C(=O)NCC2([NH3+])CCCC2)cc([N+](=O)[O-])c1 ZINC000595941798 356715116 /nfs/dbraw/zinc/71/51/16/356715116.db2.gz TWAICYRGNURSOQ-UHFFFAOYSA-N 1 0 321.333 1.383 20 5 DDBDRO COc1cc(OCC(=O)N(C)CC(C)(C)[NH3+])ccc1[N+](=O)[O-] ZINC000595944205 356716710 /nfs/dbraw/zinc/71/67/10/356716710.db2.gz LKQQSQORLPSKKO-UHFFFAOYSA-N 1 0 311.338 1.178 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CC1CCC(O)CC1 ZINC000596066963 356759301 /nfs/dbraw/zinc/75/93/01/356759301.db2.gz WWYOZFDQNCNCDV-RUXDESIVSA-N 1 0 324.377 1.475 20 5 DDBDRO CC[N@@H+]1CCCC[C@H]1CNc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596121321 356780923 /nfs/dbraw/zinc/78/09/23/356780923.db2.gz VOWBIKGRCJTAPC-LBPRGKRZSA-N 1 0 306.366 1.980 20 5 DDBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596151942 356792641 /nfs/dbraw/zinc/79/26/41/356792641.db2.gz MYSZBNFUPDOZAV-GWCFXTLKSA-N 1 0 306.366 1.470 20 5 DDBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C1([C@@H](C)O)CC1 ZINC000597234708 357104149 /nfs/dbraw/zinc/10/41/49/357104149.db2.gz OYSLMBBUCDJELE-GHMZBOCLSA-N 1 0 307.350 1.815 20 5 DDBDRO CCOc1ccc(C(=O)N2CC(C[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000597707777 357294749 /nfs/dbraw/zinc/29/47/49/357294749.db2.gz GCVMGZSFOVDCCR-UHFFFAOYSA-N 1 0 307.350 1.627 20 5 DDBDRO C[NH+](C)CC1CN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000597708793 357296304 /nfs/dbraw/zinc/29/63/04/357296304.db2.gz OLVMGDZIUOCGND-UHFFFAOYSA-N 1 0 316.361 1.639 20 5 DDBDRO CN(CCC[NH+](C)C)CCNC(=O)c1ccccc1[N+](=O)[O-] ZINC000597990366 357408727 /nfs/dbraw/zinc/40/87/27/357408727.db2.gz UEFKPAWTXMOZHR-UHFFFAOYSA-N 1 0 308.382 1.208 20 5 DDBDRO CCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000598342332 357545117 /nfs/dbraw/zinc/54/51/17/357545117.db2.gz MDOCILWLKDQCNA-LLVKDONJSA-N 1 0 309.370 1.127 20 5 DDBDRO O=C(CC[C@@H]1CCC[NH2+]C1)NCCNc1ccccc1[N+](=O)[O-] ZINC000598663585 357676179 /nfs/dbraw/zinc/67/61/79/357676179.db2.gz DOLKPFUXFTWQAH-ZDUSSCGKSA-N 1 0 320.393 1.903 20 5 DDBDRO COC(=O)[C@@]1(OC)CC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000599568172 357976917 /nfs/dbraw/zinc/97/69/17/357976917.db2.gz QVEWEMFEVDZEMP-XHDPSFHLSA-N 1 0 308.334 1.920 20 5 DDBDRO C[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])CC1(C)COC1 ZINC000599571623 357978978 /nfs/dbraw/zinc/97/89/78/357978978.db2.gz OAGMOXKFALISAH-LBPRGKRZSA-N 1 0 310.350 1.303 20 5 DDBDRO C[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C[C@H]1C[C@@H](O)C1 ZINC000599671894 358018743 /nfs/dbraw/zinc/01/87/43/358018743.db2.gz KIZSHVWGALSCCO-YUTCNCBUSA-N 1 0 310.350 1.037 20 5 DDBDRO CCC(O)(CC)C[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000599674048 358019627 /nfs/dbraw/zinc/01/96/27/358019627.db2.gz ZVBKDZUYMSRBLD-UHFFFAOYSA-N 1 0 309.366 1.677 20 5 DDBDRO CC(C)(NC(=O)NCCOCCC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000599933974 358084413 /nfs/dbraw/zinc/08/44/13/358084413.db2.gz JELQXGFAYMWCQD-UHFFFAOYSA-N 1 0 324.381 1.495 20 5 DDBDRO C[C@@H]1CC[C@H](NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)C[NH2+]1 ZINC000599932863 358084598 /nfs/dbraw/zinc/08/45/98/358084598.db2.gz CJHMKQWQKWEQEE-OCCSQVGLSA-N 1 0 320.393 1.919 20 5 DDBDRO C[NH2+]C[C@H]1CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000237310417 202225697 /nfs/dbraw/zinc/22/56/97/202225697.db2.gz BHBQEQGYRRTHGN-SECBINFHSA-N 1 0 310.329 1.388 20 5 DDBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000180545306 199174628 /nfs/dbraw/zinc/17/46/28/199174628.db2.gz WQRUBPNGLYTCSS-WDEREUQCSA-N 1 0 321.381 1.422 20 5 DDBDRO COc1cc(C[N@@H+]2CC[C@H]([C@H](C)O)C2)c([N+](=O)[O-])cc1OC ZINC000180860905 199220038 /nfs/dbraw/zinc/22/00/38/199220038.db2.gz RFYHUUHNTCHBKA-QWRGUYRKSA-N 1 0 310.350 1.815 20 5 DDBDRO C[C@@H](CNc1c([N+](=O)[O-])c(C(F)(F)F)nn1C)C[NH+](C)C ZINC000601167972 358430898 /nfs/dbraw/zinc/43/08/98/358430898.db2.gz KAWQDTCZYIREPN-ZETCQYMHSA-N 1 0 309.292 1.957 20 5 DDBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000618375116 363612477 /nfs/dbraw/zinc/61/24/77/363612477.db2.gz VOCCVWOJWMFQQX-LLVKDONJSA-N 1 0 308.338 1.300 20 5 DDBDRO C[C@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCOC1 ZINC000348140568 283387422 /nfs/dbraw/zinc/38/74/22/283387422.db2.gz KWPXWTGAVQMREL-QWHCGFSZSA-N 1 0 321.377 1.962 20 5 DDBDRO C[N@@H+]1CCC[C@@H]1C(=O)N[C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000601777817 358691401 /nfs/dbraw/zinc/69/14/01/358691401.db2.gz LMZMPZYIYWHGGL-UKRRQHHQSA-N 1 0 307.350 1.013 20 5 DDBDRO CC(C)([NH3+])CNC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000602436369 358974702 /nfs/dbraw/zinc/97/47/02/358974702.db2.gz ZKZJDJCKICBKMH-UHFFFAOYSA-N 1 0 316.155 1.824 20 5 DDBDRO COCCN1CC[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602545510 359037532 /nfs/dbraw/zinc/03/75/32/359037532.db2.gz DOGLWDAISKYDCI-NSHDSACASA-N 1 0 320.349 1.546 20 5 DDBDRO C[C@H]1COCCN1CC[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602592434 359059640 /nfs/dbraw/zinc/05/96/40/359059640.db2.gz FMFJPZDRJLICQE-NSHDSACASA-N 1 0 320.349 1.546 20 5 DDBDRO CC[C@](C)(CO)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602594502 359061047 /nfs/dbraw/zinc/06/10/47/359061047.db2.gz XYNJWUHOHKXRQQ-OAHLLOKOSA-N 1 0 308.382 1.709 20 5 DDBDRO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602770036 359177590 /nfs/dbraw/zinc/17/75/90/359177590.db2.gz SRYOTZMEKIPJKB-CYBMUJFWSA-N 1 0 323.397 1.433 20 5 DDBDRO CC(C)[C@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])C1(CO)CC=CC1 ZINC000602850059 359238175 /nfs/dbraw/zinc/23/81/75/359238175.db2.gz MPPNBPFKPRPJDM-ZDUSSCGKSA-N 1 0 308.382 1.771 20 5 DDBDRO COC(=O)[C@@H]1CCCC[C@]1(C)[NH2+]Cc1cn(C)nc1[N+](=O)[O-] ZINC000602795105 359197709 /nfs/dbraw/zinc/19/77/09/359197709.db2.gz LIYBLNCIPSKAOQ-FZMZJTMJSA-N 1 0 310.354 1.540 20 5 DDBDRO C[N@@H+]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)C[C@H]1C(C)(C)C ZINC000602873789 359257231 /nfs/dbraw/zinc/25/72/31/359257231.db2.gz LICVFUASNVVYBI-AWEZNQCLSA-N 1 0 322.409 1.419 20 5 DDBDRO C[C@@H](CNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](C)C1 ZINC000186935577 200034418 /nfs/dbraw/zinc/03/44/18/200034418.db2.gz OYBWMSRIWBFEHZ-QWRGUYRKSA-N 1 0 322.365 1.546 20 5 DDBDRO CN(CC(=O)NC1(C[NH+](C)C)CCC1)c1ccccc1[N+](=O)[O-] ZINC000281043419 216040250 /nfs/dbraw/zinc/04/02/50/216040250.db2.gz JJDAAFXPUMNBPV-UHFFFAOYSA-N 1 0 320.393 1.632 20 5 DDBDRO COc1cc(OCC(=O)N[C@H]2CCC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000604460833 359752559 /nfs/dbraw/zinc/75/25/59/359752559.db2.gz BJGBKDWZTXLCMQ-NSHDSACASA-N 1 0 323.349 1.193 20 5 DDBDRO COCC[N@@H+]1CCC[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000609268827 360285225 /nfs/dbraw/zinc/28/52/25/360285225.db2.gz DMCZXQSFKTUQII-AWEZNQCLSA-N 1 0 321.377 1.364 20 5 DDBDRO CC(C)(CO)[NH+]1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000610480995 360446725 /nfs/dbraw/zinc/44/67/25/360446725.db2.gz DAXKCYZRFIWTDW-UHFFFAOYSA-N 1 0 323.393 1.362 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(NC[C@H](O)C[NH+]2CCC(C)CC2)n1 ZINC000610806953 360540831 /nfs/dbraw/zinc/54/08/31/360540831.db2.gz BFLGXSKCLLEYOE-ZDUSSCGKSA-N 1 0 308.382 1.803 20 5 DDBDRO CC(C)(CO)[NH+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000611165904 360642516 /nfs/dbraw/zinc/64/25/16/360642516.db2.gz HQOUFYHNZYYZJO-UHFFFAOYSA-N 1 0 321.377 1.052 20 5 DDBDRO Cc1nn(C[C@@H](O)C[N@@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000611508421 360740694 /nfs/dbraw/zinc/74/06/94/360740694.db2.gz FYQBMAJBLHZOSG-AWEZNQCLSA-N 1 0 304.350 1.593 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)n1 ZINC000611616203 360776741 /nfs/dbraw/zinc/77/67/41/360776741.db2.gz UMNVJDPGWVGCHQ-KGLIPLIRSA-N 1 0 320.393 1.642 20 5 DDBDRO C[C@@H]1COCCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000612104186 360921272 /nfs/dbraw/zinc/92/12/72/360921272.db2.gz QTMCVEQIGXTUJV-CHWSQXEVSA-N 1 0 310.350 1.445 20 5 DDBDRO CCc1[nH]nc(C(=O)Nc2cc(N(C)C)ccn2)c1[N+](=O)[O-] ZINC000612393183 360996009 /nfs/dbraw/zinc/99/60/09/360996009.db2.gz CUTWDMRGMMRHLN-UHFFFAOYSA-N 1 0 304.310 1.594 20 5 DDBDRO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000565890376 304101413 /nfs/dbraw/zinc/10/14/13/304101413.db2.gz QHXURCRXHOCHDD-KBPBESRZSA-N 1 0 307.350 1.478 20 5 DDBDRO Cc1ccc(S(=O)(=O)N[C@@H]2C[NH2+]CC[C@H]2C)cc1[N+](=O)[O-] ZINC000193415321 201048957 /nfs/dbraw/zinc/04/89/57/201048957.db2.gz IBFCZTBOKJUCHB-BXKDBHETSA-N 1 0 313.379 1.180 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000193474668 201056656 /nfs/dbraw/zinc/05/66/56/201056656.db2.gz FTCVCYRWSUSMEW-HNNXBMFYSA-N 1 0 318.333 1.077 20 5 DDBDRO C[C@](O)(CO)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000619464252 364023890 /nfs/dbraw/zinc/02/38/90/364023890.db2.gz GWTRMIJEJRESFU-OAHLLOKOSA-N 1 0 306.318 1.688 20 5 DDBDRO C[NH+]1CC2(C1)CCN(C(=O)c1cc3cccc([N+](=O)[O-])c3[nH]1)C2 ZINC000619565836 364062609 /nfs/dbraw/zinc/06/26/09/364062609.db2.gz FHOMSBHFTGZERT-UHFFFAOYSA-N 1 0 314.345 1.854 20 5 DDBDRO CCc1ccc(S(=O)(=O)N(C)[C@@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000566215591 304130710 /nfs/dbraw/zinc/13/07/10/304130710.db2.gz BYBNNPSLWCVQKJ-VIFPVBQESA-N 1 0 301.368 1.125 20 5 DDBDRO CCCc1n[nH]c(C(=O)N2CCC(CC[NH2+]C)CC2)c1[N+](=O)[O-] ZINC000262155701 203214728 /nfs/dbraw/zinc/21/47/28/203214728.db2.gz ZJAIBUZBWARJMC-UHFFFAOYSA-N 1 0 323.397 1.732 20 5 DDBDRO CN(C)C(=O)NCC[N@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000350049648 284138102 /nfs/dbraw/zinc/13/81/02/284138102.db2.gz QLSJTQUSYRYXPU-SOFGYWHQSA-N 1 0 306.366 1.811 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000094340924 193361783 /nfs/dbraw/zinc/36/17/83/193361783.db2.gz CGLYLLHHZUHSHV-ZYHUDNBSSA-N 1 0 313.379 1.261 20 5 DDBDRO CC[N@@H+]1CCCN(C(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000264588536 204012902 /nfs/dbraw/zinc/01/29/02/204012902.db2.gz AGBALUIXPMZWEF-UHFFFAOYSA-N 1 0 307.350 1.771 20 5 DDBDRO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000274880640 212004598 /nfs/dbraw/zinc/00/45/98/212004598.db2.gz IHIYNZCBZHDCGN-JTQLQIEISA-N 1 0 308.338 1.300 20 5 DDBDRO CCOC(=O)c1ccnc(N2CC[C@H](C[NH+](C)C)C2)c1[N+](=O)[O-] ZINC000265526966 204678249 /nfs/dbraw/zinc/67/82/49/204678249.db2.gz AEHQJZDCBZUSDF-LLVKDONJSA-N 1 0 322.365 1.554 20 5 DDBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cc(=O)c(O)co1 ZINC000282542285 217075112 /nfs/dbraw/zinc/07/51/12/217075112.db2.gz WDHIAVXDRFNVJC-UHFFFAOYSA-N 1 0 304.302 1.928 20 5 DDBDRO C[C@@H]1CN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C[C@H](C)[NH2+]1 ZINC000566556177 304168125 /nfs/dbraw/zinc/16/81/25/304168125.db2.gz HGXFFWGZHHNRFE-DTORHVGOSA-N 1 0 307.306 1.146 20 5 DDBDRO COCC[N@@H+]1CCCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000266117248 205111055 /nfs/dbraw/zinc/11/10/55/205111055.db2.gz VJNCYNJWCOXLAV-UHFFFAOYSA-N 1 0 321.377 1.318 20 5 DDBDRO C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCc2ccccc21 ZINC000266419201 205333429 /nfs/dbraw/zinc/33/34/29/205333429.db2.gz IKDZKBBSJWMWAF-GOEBONIOSA-N 1 0 316.361 1.772 20 5 DDBDRO CC[N@@H+]1CCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000288454411 220152170 /nfs/dbraw/zinc/15/21/70/220152170.db2.gz NYUSAFHNXIGABO-ZDUSSCGKSA-N 1 0 320.393 1.584 20 5 DDBDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000351756073 284502354 /nfs/dbraw/zinc/50/23/54/284502354.db2.gz ONJCHFNHGKQRAO-OLZOCXBDSA-N 1 0 320.393 1.983 20 5 DDBDRO CC[N@@H+]1CC[C@H](CNC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000102488857 248243775 /nfs/dbraw/zinc/24/37/75/248243775.db2.gz JBLOXCFUHJLBRM-CYBMUJFWSA-N 1 0 323.397 1.256 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCC(C)(C)[NH+](C)C ZINC000042158900 183236441 /nfs/dbraw/zinc/23/64/41/183236441.db2.gz RKOVIVKOOOIMGT-UHFFFAOYSA-N 1 0 308.382 1.731 20 5 DDBDRO CC(C)[C@H](CCO)[NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000274011492 211271719 /nfs/dbraw/zinc/27/17/19/211271719.db2.gz LUVRRVYQLQVSPY-FZMZJTMJSA-N 1 0 309.366 1.918 20 5 DDBDRO CC(C)CN(CC[NH+](C)C)C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000104529727 194014572 /nfs/dbraw/zinc/01/45/72/194014572.db2.gz VPGAFXUGYMUCDD-UHFFFAOYSA-N 1 0 311.386 1.228 20 5 DDBDRO CN(C[C@H]1CC[N@H+](C)C1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000104747408 194033630 /nfs/dbraw/zinc/03/36/30/194033630.db2.gz UXYNTEYXEOSPTL-NSHDSACASA-N 1 0 313.379 1.167 20 5 DDBDRO NC(=O)C[C@H]1CCCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000339136977 250309778 /nfs/dbraw/zinc/30/97/78/250309778.db2.gz NVMKYTOOKRRBMK-GFCCVEGCSA-N 1 0 307.350 1.704 20 5 DDBDRO Cn1nccc1C1=CC[N@H+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000285222049 218339527 /nfs/dbraw/zinc/33/95/27/218339527.db2.gz ANWHELCVYBZAIP-UHFFFAOYSA-N 1 0 302.338 1.314 20 5 DDBDRO CCOC(=O)[C@@](C)(O)C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285275867 218362563 /nfs/dbraw/zinc/36/25/63/218362563.db2.gz IZERAXCPRRCZLS-HNNXBMFYSA-N 1 0 310.350 1.383 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC[C@H]1CC[NH2+]C1 ZINC000110797363 194359704 /nfs/dbraw/zinc/35/97/04/194359704.db2.gz KWKAAMVBPPUWPG-LLVKDONJSA-N 1 0 313.379 1.181 20 5 DDBDRO COc1ccc(CNC(=O)C2([NH3+])CCCCC2)cc1[N+](=O)[O-] ZINC000269043371 207192036 /nfs/dbraw/zinc/19/20/36/207192036.db2.gz LGQCZQZORIHOMP-UHFFFAOYSA-N 1 0 307.350 1.881 20 5 DDBDRO CCOc1ccc(C(=O)NC[C@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000341238147 251459275 /nfs/dbraw/zinc/45/92/75/251459275.db2.gz UGYTXNBCSIUHSU-NSHDSACASA-N 1 0 309.366 1.921 20 5 DDBDRO C[NH2+]C[C@@H]1CCCCN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000063168011 184275607 /nfs/dbraw/zinc/27/56/07/184275607.db2.gz FMWHVQGOJULLLD-NSHDSACASA-N 1 0 313.379 1.357 20 5 DDBDRO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000063812530 184289011 /nfs/dbraw/zinc/28/90/11/184289011.db2.gz YXKMTMHHGIWMSV-JTQLQIEISA-N 1 0 324.356 1.920 20 5 DDBDRO C[NH+](C)[C@@H](CNC(=O)Cn1ccc([N+](=O)[O-])n1)C1CCCCC1 ZINC000063803984 184289287 /nfs/dbraw/zinc/28/92/87/184289287.db2.gz XVDOTGMSJDPROF-ZDUSSCGKSA-N 1 0 323.397 1.418 20 5 DDBDRO C[C@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[C@H]1CCC[NH2+]C1 ZINC000269204088 207323110 /nfs/dbraw/zinc/32/31/10/207323110.db2.gz NINVYZMQYYUGNJ-UWVGGRQHSA-N 1 0 322.321 1.621 20 5 DDBDRO COc1ccc(CNC(=O)[C@H]2CCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000269268947 207415251 /nfs/dbraw/zinc/41/52/51/207415251.db2.gz WFAVQZDJYKUVPD-RYUDHWBXSA-N 1 0 307.350 1.737 20 5 DDBDRO CC[NH+](CC)[C@@H](C)CNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000352384648 285012713 /nfs/dbraw/zinc/01/27/13/285012713.db2.gz XXOJKYIOHYIFJR-LBPRGKRZSA-N 1 0 308.382 1.853 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](CCO)CC1CC1 ZINC000352463825 285068247 /nfs/dbraw/zinc/06/82/47/285068247.db2.gz KZRXAPJTRLGPOD-UHFFFAOYSA-N 1 0 307.350 1.546 20 5 DDBDRO Cc1n[nH]c(C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)c1[N+](=O)[O-] ZINC000270063298 208120686 /nfs/dbraw/zinc/12/06/86/208120686.db2.gz FPBBLVHPRAUKEW-LBPRGKRZSA-N 1 0 321.381 1.430 20 5 DDBDRO NC(=O)c1ccc(CN2CC[C@]3(C2)CCC[NH2+]C3)c([N+](=O)[O-])c1 ZINC000567890084 304252609 /nfs/dbraw/zinc/25/26/09/304252609.db2.gz IMZWVCQPJJMYPT-MRXNPFEDSA-N 1 0 318.377 1.269 20 5 DDBDRO C[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)CC(C)(CO)CO ZINC000270299523 208374929 /nfs/dbraw/zinc/37/49/29/208374929.db2.gz BHAZYHDAKRLMKN-UHFFFAOYSA-N 1 0 302.758 1.671 20 5 DDBDRO CC(C)(O)C(C)(C)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273004156 210381139 /nfs/dbraw/zinc/38/11/39/210381139.db2.gz AAJNLTNVMSBROH-LLVKDONJSA-N 1 0 312.366 1.474 20 5 DDBDRO CNC(=O)CC1CC[NH+](Cc2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000352545839 285130822 /nfs/dbraw/zinc/13/08/22/285130822.db2.gz MFWISIFLPBXGSV-UHFFFAOYSA-N 1 0 321.377 1.952 20 5 DDBDRO CNS(=O)(=O)CCC[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000352549782 285133192 /nfs/dbraw/zinc/13/31/92/285133192.db2.gz HEFKSOWNRFIJPG-UHFFFAOYSA-N 1 0 315.395 1.008 20 5 DDBDRO C[NH+](C)CCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000120306658 195139915 /nfs/dbraw/zinc/13/99/15/195139915.db2.gz LZZKKRDCLBHVSN-UHFFFAOYSA-N 1 0 320.393 1.877 20 5 DDBDRO O=[N+]([O-])c1cnc(N2C[C@H]3C[NH2+]C[C@H]3C2)c(Br)c1 ZINC000093434453 285179413 /nfs/dbraw/zinc/17/94/13/285179413.db2.gz DNUYIZSFKVFDCO-OCAPTIKFSA-N 1 0 313.155 1.408 20 5 DDBDRO COCCCOCC[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000271546910 209001449 /nfs/dbraw/zinc/00/14/49/209001449.db2.gz XNPZIGDAVKAZAZ-UHFFFAOYSA-N 1 0 312.366 1.959 20 5 DDBDRO C[C@H]1C[NH+](C)C[C@H](C)N1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000155534398 197064157 /nfs/dbraw/zinc/06/41/57/197064157.db2.gz JZAGMQFKOGLQNJ-RYUDHWBXSA-N 1 0 307.350 1.525 20 5 DDBDRO Cc1nn(CCC(=O)N2[C@H](C)C[N@@H+](C)C[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000155300680 197041948 /nfs/dbraw/zinc/04/19/48/197041948.db2.gz XEDLJLCVBIWDKA-PHIMTYICSA-N 1 0 323.397 1.349 20 5 DDBDRO Cc1nn(CCC(=O)N2[C@@H](C)C[NH+](C)C[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000155300792 197041662 /nfs/dbraw/zinc/04/16/62/197041662.db2.gz XEDLJLCVBIWDKA-QWRGUYRKSA-N 1 0 323.397 1.349 20 5 DDBDRO Cc1ccc(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])nc1 ZINC001120488221 781977927 /nfs/dbraw/zinc/97/79/27/781977927.db2.gz URICYGBOFCFHNN-AWEZNQCLSA-N 1 0 317.345 1.828 20 5 DDBDRO Cc1cnn([C@@H]2CC[N@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)c1 ZINC000289843487 221264778 /nfs/dbraw/zinc/26/47/78/221264778.db2.gz KFXMEEWSOOKIJT-CYBMUJFWSA-N 1 0 317.349 1.208 20 5 DDBDRO C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000414666866 224370427 /nfs/dbraw/zinc/37/04/27/224370427.db2.gz WYBHRPPZINGZNI-SKDRFNHKSA-N 1 0 308.338 1.829 20 5 DDBDRO O=[N+]([O-])c1ccc(OC(F)F)c(CN2CC[C@@H]3C[NH2+]C[C@@H]32)c1 ZINC000414793241 224395898 /nfs/dbraw/zinc/39/58/98/224395898.db2.gz UEGCCRHGGZWGMM-SKDRFNHKSA-N 1 0 313.304 1.990 20 5 DDBDRO CO[C@@H]1CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000451578805 533417055 /nfs/dbraw/zinc/41/70/55/533417055.db2.gz XRDYSKLTIYLPEE-VNHYZAJKSA-N 1 0 324.377 1.691 20 5 DDBDRO COc1cc(C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)cc([N+](=O)[O-])c1C ZINC000422818541 533527327 /nfs/dbraw/zinc/52/73/27/533527327.db2.gz GRJXGPMBIJVWHJ-AOOOYVTPSA-N 1 0 307.350 1.734 20 5 DDBDRO C[C@@H](CCC[NH3+])NC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000418698289 533548850 /nfs/dbraw/zinc/54/88/50/533548850.db2.gz HDUOPTXOTXQWEZ-NSHDSACASA-N 1 0 322.365 1.626 20 5 DDBDRO COc1ccc(CNC(=O)N2C[C@@H](C[NH3+])C[C@H]2C)cc1[N+](=O)[O-] ZINC000417183681 533604498 /nfs/dbraw/zinc/60/44/98/533604498.db2.gz BDGWBJBNMLYREZ-ZYHUDNBSSA-N 1 0 322.365 1.482 20 5 DDBDRO O=[N+]([O-])c1ccc2[nH]c(N[C@H](CO)C[NH+]3CCCCC3)nc2c1 ZINC000295666509 296509300 /nfs/dbraw/zinc/50/93/00/296509300.db2.gz IZRJZOUTMDAKLG-NSHDSACASA-N 1 0 319.365 1.730 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000569136409 304338586 /nfs/dbraw/zinc/33/85/86/304338586.db2.gz AVNQWPPRYDITIN-UHFFFAOYSA-N 1 0 317.349 1.914 20 5 DDBDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000261641795 407566824 /nfs/dbraw/zinc/56/68/24/407566824.db2.gz DQIRUNGMKCDTKJ-VXGBXAGGSA-N 1 0 307.350 1.559 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@@H]1C1CC[NH2+]CC1 ZINC000361108875 299802438 /nfs/dbraw/zinc/80/24/38/299802438.db2.gz MOLTYCJMMJGYQE-ZIAGYGMSSA-N 1 0 304.350 1.416 20 5 DDBDRO CC[NH+]1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000068127858 406617286 /nfs/dbraw/zinc/61/72/86/406617286.db2.gz AIRUSCUCCFPZMC-UHFFFAOYSA-N 1 0 320.393 1.869 20 5 DDBDRO CC[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000068960806 406671950 /nfs/dbraw/zinc/67/19/50/406671950.db2.gz GOTGOJQGQDLJOB-UHFFFAOYSA-N 1 0 321.786 1.478 20 5 DDBDRO CC(C)[C@@H]([NH3+])CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000070447753 406817307 /nfs/dbraw/zinc/81/73/07/406817307.db2.gz LUOYCCMQGJAKDI-JTQLQIEISA-N 1 0 321.786 1.510 20 5 DDBDRO O=C(NCCC[NH+]1CCCC1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000074449682 406913001 /nfs/dbraw/zinc/91/30/01/406913001.db2.gz RFGCPNVZLPSUDX-UHFFFAOYSA-N 1 0 317.349 1.687 20 5 DDBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000048269165 407093840 /nfs/dbraw/zinc/09/38/40/407093840.db2.gz RAFBWPXXIWETFP-BETUJISGSA-N 1 0 323.397 1.276 20 5 DDBDRO O=C1NCCN1C1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000052214841 407149330 /nfs/dbraw/zinc/14/93/30/407149330.db2.gz PXZJWCBKHOVFIQ-UHFFFAOYSA-N 1 0 304.350 1.584 20 5 DDBDRO COC(=O)[C@@H]1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000066832294 407260112 /nfs/dbraw/zinc/26/01/12/407260112.db2.gz DWCNBGDYVBCNCA-GFCCVEGCSA-N 1 0 308.334 1.859 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCN(C2CC2)CC1 ZINC000123020748 407316919 /nfs/dbraw/zinc/31/69/19/407316919.db2.gz XVOYURUXBRYZGF-UHFFFAOYSA-N 1 0 320.349 1.915 20 5 DDBDRO Cc1ccc([C@H](CNC(=O)c2[nH]ncc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000122351745 407298805 /nfs/dbraw/zinc/29/88/05/407298805.db2.gz CPHJQSSNVJPHGF-LBPRGKRZSA-N 1 0 317.349 1.659 20 5 DDBDRO CC[N@@H+]1CCCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000104954918 407353105 /nfs/dbraw/zinc/35/31/05/407353105.db2.gz OLZSVEHYDDAIBZ-UHFFFAOYSA-N 1 0 321.377 1.989 20 5 DDBDRO COc1ccc(C[NH2+]CCn2cnnc2C2CC2)cc1[N+](=O)[O-] ZINC000124312638 407354215 /nfs/dbraw/zinc/35/42/15/407354215.db2.gz KQRJSWKXJQRJQT-UHFFFAOYSA-N 1 0 317.349 1.862 20 5 DDBDRO C[NH+](C)CC1CCC(NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC1 ZINC000124318806 407354897 /nfs/dbraw/zinc/35/48/97/407354897.db2.gz WJKQPERHSSQWOG-UHFFFAOYSA-N 1 0 322.365 1.546 20 5 DDBDRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000106820777 407361857 /nfs/dbraw/zinc/36/18/57/407361857.db2.gz PBXAVRCJKAMGAO-NSHDSACASA-N 1 0 324.356 1.100 20 5 DDBDRO CNC(=O)[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000111268395 407403717 /nfs/dbraw/zinc/40/37/17/407403717.db2.gz SRIISTRUSFWPRN-NSHDSACASA-N 1 0 307.350 1.561 20 5 DDBDRO CC(C)(C)OC(=O)[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000178516307 407478519 /nfs/dbraw/zinc/47/85/19/407478519.db2.gz LMTDELSNMWZXOZ-LLVKDONJSA-N 1 0 310.354 1.455 20 5 DDBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000178536138 407484393 /nfs/dbraw/zinc/48/43/93/407484393.db2.gz ZHPFZXJMWLESDR-QWRGUYRKSA-N 1 0 309.391 1.883 20 5 DDBDRO CC[NH+]1CCN(CCNC(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000112918197 407449453 /nfs/dbraw/zinc/44/94/53/407449453.db2.gz FXPNZFDGOJZJQF-UHFFFAOYSA-N 1 0 324.356 1.101 20 5 DDBDRO COc1cc(C(=O)NCCC[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000170917997 407556349 /nfs/dbraw/zinc/55/63/49/407556349.db2.gz QXWPOODMFFWMAS-UHFFFAOYSA-N 1 0 307.350 1.819 20 5 DDBDRO CN1CC[N@H+](C)C[C@@H]1CNCc1ccc([N+](=O)[O-])cc1Cl ZINC000225339431 407579428 /nfs/dbraw/zinc/57/94/28/407579428.db2.gz YYYRYXHBJOWAGN-ZDUSSCGKSA-N 1 0 312.801 1.584 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@H](C[NH+](C)C)C1 ZINC000114479074 407580098 /nfs/dbraw/zinc/58/00/98/407580098.db2.gz RHHPIHJXTKZAOK-CYBMUJFWSA-N 1 0 320.393 1.725 20 5 DDBDRO Cc1ccc(S(=O)(=O)N[C@H](C[NH3+])C(C)(C)C)cc1[N+](=O)[O-] ZINC000261595019 407544333 /nfs/dbraw/zinc/54/43/33/407544333.db2.gz CRXVSXLHNWCNQO-GFCCVEGCSA-N 1 0 315.395 1.555 20 5 DDBDRO C[C@@]1(C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)CC[NH2+]C1 ZINC000261769549 407607564 /nfs/dbraw/zinc/60/75/64/407607564.db2.gz QPUQQXIDNGLADT-MRXNPFEDSA-N 1 0 318.377 1.243 20 5 DDBDRO CCCN(C(=O)CCNc1ccccc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000178891531 407641991 /nfs/dbraw/zinc/64/19/91/407641991.db2.gz OBLJOKXGFLGMSB-CYBMUJFWSA-N 1 0 320.393 1.997 20 5 DDBDRO COc1cc(C(=O)NCC[C@H]2CCC[NH2+]2)c([N+](=O)[O-])cc1OC ZINC000261863990 407648651 /nfs/dbraw/zinc/64/86/51/407648651.db2.gz KOUIXAQJBUGLGX-SNVBAGLBSA-N 1 0 323.349 1.484 20 5 DDBDRO CN(CC(C)(C)CN1CCOCC1)c1ncccc1[N+](=O)[O-] ZINC000130133645 407655250 /nfs/dbraw/zinc/65/52/50/407655250.db2.gz BWJOLOUMSXYQIQ-UHFFFAOYSA-N 1 0 308.382 1.784 20 5 DDBDRO C[N@H+](CCc1cnccn1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000271411918 407672914 /nfs/dbraw/zinc/67/29/14/407672914.db2.gz YZAFYWMULBOCTJ-OAHLLOKOSA-N 1 0 302.334 1.593 20 5 DDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CC[NH2+]C2)cc1OC ZINC000179068233 407713216 /nfs/dbraw/zinc/71/32/16/407713216.db2.gz DJRKDJHFTKPBAJ-SNVBAGLBSA-N 1 0 323.349 1.436 20 5 DDBDRO C[NH+](C)[C@]1(CNc2ccc(C(N)=O)cc2[N+](=O)[O-])CCSC1 ZINC000267055020 407730660 /nfs/dbraw/zinc/73/06/60/407730660.db2.gz FVDPNTOWKJOTKM-AWEZNQCLSA-N 1 0 324.406 1.543 20 5 DDBDRO CS[C@@H]1CN(c2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000271627541 407724872 /nfs/dbraw/zinc/72/48/72/407724872.db2.gz NINLTHNWWAMWJU-CHWSQXEVSA-N 1 0 324.406 1.176 20 5 DDBDRO CCc1n[nH]c(C(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000171730934 407751797 /nfs/dbraw/zinc/75/17/97/407751797.db2.gz WAWRXJKWWOFGMD-WDEREUQCSA-N 1 0 323.397 1.731 20 5 DDBDRO CCOc1ccc(C(=O)N2CC[C@](C)(C[NH3+])C2)cc1[N+](=O)[O-] ZINC000262105155 407741170 /nfs/dbraw/zinc/74/11/70/407741170.db2.gz VFSISBVMDLPXRQ-OAHLLOKOSA-N 1 0 307.350 1.804 20 5 DDBDRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000236737185 407764390 /nfs/dbraw/zinc/76/43/90/407764390.db2.gz ZMVLGFCMVMPKFS-ZDUSSCGKSA-N 1 0 322.409 1.863 20 5 DDBDRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000186934850 407799307 /nfs/dbraw/zinc/79/93/07/407799307.db2.gz XDMOSLODHHBDPO-LBPRGKRZSA-N 1 0 321.377 1.512 20 5 DDBDRO C[C@H]1CCN(CCOc2cccc([N+](=O)[O-])c2)[C@H](C(N)=O)C1 ZINC000187420974 407855970 /nfs/dbraw/zinc/85/59/70/407855970.db2.gz SSHADDZWKUMIAL-FZMZJTMJSA-N 1 0 307.350 1.559 20 5 DDBDRO O=C(NC[C@H]1[NH2+]CCc2ccccc21)c1cc([N+](=O)[O-])c[nH]1 ZINC000262545433 407862807 /nfs/dbraw/zinc/86/28/07/407862807.db2.gz RRAQKCGCVBWXSP-CQSZACIVSA-N 1 0 300.318 1.540 20 5 DDBDRO CN(CCC[NH3+])C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000133755873 407869888 /nfs/dbraw/zinc/86/98/88/407869888.db2.gz UJXSQUNNTMAYPP-UHFFFAOYSA-N 1 0 316.155 1.778 20 5 DDBDRO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000238031283 407871598 /nfs/dbraw/zinc/87/15/98/407871598.db2.gz WNIJAWSUACVMAJ-GXFFZTMASA-N 1 0 309.391 1.931 20 5 DDBDRO CC(C)NC(=O)CC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173470821 407882132 /nfs/dbraw/zinc/88/21/32/407882132.db2.gz XFEOEDCLGOGLQS-GFCCVEGCSA-N 1 0 321.381 1.391 20 5 DDBDRO O=C(Cn1ccc([N+](=O)[O-])n1)NCC[NH2+]C1CCCCCC1 ZINC000238143702 407896538 /nfs/dbraw/zinc/89/65/38/407896538.db2.gz AJNIFYMMVUQDGY-UHFFFAOYSA-N 1 0 309.370 1.220 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C)CC[NH+]1CCCC1 ZINC000153823992 407910359 /nfs/dbraw/zinc/91/03/59/407910359.db2.gz LXTYTUSZAWULED-UHFFFAOYSA-N 1 0 320.393 1.869 20 5 DDBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000181185932 407960889 /nfs/dbraw/zinc/96/08/89/407960889.db2.gz BESGJGFMPCGNPP-GFCCVEGCSA-N 1 0 320.393 1.885 20 5 DDBDRO Cc1cc(S(=O)(=O)N[C@@H]2CC[NH2+]C[C@H]2C)ccc1[N+](=O)[O-] ZINC000262752913 407916957 /nfs/dbraw/zinc/91/69/57/407916957.db2.gz GYJHYHQWXDAIRO-ZYHUDNBSSA-N 1 0 313.379 1.180 20 5 DDBDRO COc1cc(CN2CC[NH2+]C(C)(C)C2)c([N+](=O)[O-])cc1OC ZINC000263231761 408068607 /nfs/dbraw/zinc/06/86/07/408068607.db2.gz IHURQKQJQIAWHY-UHFFFAOYSA-N 1 0 309.366 1.796 20 5 DDBDRO CCOC(=O)[C@@H]1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000136805962 408125101 /nfs/dbraw/zinc/12/51/01/408125101.db2.gz UIODTKGWPISSPQ-HIFRSBDPSA-N 1 0 322.361 1.903 20 5 DDBDRO COC[C@H]([NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000136650372 408116343 /nfs/dbraw/zinc/11/63/43/408116343.db2.gz SMHOVADPEDMQJX-YGRLFVJLSA-N 1 0 307.350 1.936 20 5 DDBDRO COc1cc(S(=O)(=O)[N-]c2ccncc2)ccc1[N+](=O)[O-] ZINC000121323802 408182697 /nfs/dbraw/zinc/18/26/97/408182697.db2.gz IYUKQJVGPDFEOV-UHFFFAOYSA-N 1 0 309.303 1.799 20 5 DDBDRO C[NH+](C)CCn1cc(NC(=O)Nc2cccc([N+](=O)[O-])c2)cn1 ZINC000143524665 408182727 /nfs/dbraw/zinc/18/27/27/408182727.db2.gz VKXLTNDNAMTZQP-UHFFFAOYSA-N 1 0 318.337 1.997 20 5 DDBDRO Cc1c(C(=O)NC[C@@H]([NH3+])C(C)C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000269303233 408259772 /nfs/dbraw/zinc/25/97/72/408259772.db2.gz YESCNIMMIRZYLP-LLVKDONJSA-N 1 0 310.310 1.525 20 5 DDBDRO CC1(C)[C@@H]2C[N@@H+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000246728753 408328753 /nfs/dbraw/zinc/32/87/53/408328753.db2.gz LZVXWYKLBXHBOK-YUELXQCFSA-N 1 0 306.362 1.922 20 5 DDBDRO CC(C)C[NH+]1CCN(C(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])CC1 ZINC000269372109 408286560 /nfs/dbraw/zinc/28/65/60/408286560.db2.gz MOYOPJAGJIUCAN-UHFFFAOYSA-N 1 0 323.397 1.855 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000269406729 408295669 /nfs/dbraw/zinc/29/56/69/408295669.db2.gz UPQBLPBJSMJJBC-JTQLQIEISA-N 1 0 321.381 1.655 20 5 DDBDRO CC[C@H](CO)[NH+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000269525325 408341226 /nfs/dbraw/zinc/34/12/26/408341226.db2.gz RAHBPSSNFRLFMP-CQSZACIVSA-N 1 0 321.377 1.052 20 5 DDBDRO C[NH2+]C[C@@H](C)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000133215868 162053718 /nfs/dbraw/zinc/05/37/18/162053718.db2.gz LIUIKCAZWYPGGX-MRVPVSSYSA-N 1 0 321.786 1.382 20 5 DDBDRO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@H](OCCO)C1 ZINC000172300060 162269336 /nfs/dbraw/zinc/26/93/36/162269336.db2.gz NBQZMTASQYSEOB-ZDUSSCGKSA-N 1 0 310.350 1.447 20 5 DDBDRO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H](O)COC1CCOCC1 ZINC000176424389 408362480 /nfs/dbraw/zinc/36/24/80/408362480.db2.gz DJAGHYGWORLLIB-CQSZACIVSA-N 1 0 324.377 1.583 20 5 DDBDRO C[C@H](CN1CC[NH+](C)CC1)Nc1c(F)cc([N+](=O)[O-])cc1F ZINC000269628769 408366826 /nfs/dbraw/zinc/36/68/26/408366826.db2.gz KNCWMJGLZSYUTL-SNVBAGLBSA-N 1 0 314.336 1.921 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1CN1CC[NH+](CC(C)(C)O)CC1 ZINC000183320035 408381411 /nfs/dbraw/zinc/38/14/11/408381411.db2.gz VPMDNQIWNKCWNE-UHFFFAOYSA-N 1 0 307.394 1.792 20 5 DDBDRO CN([C@H](C[NH3+])C1CC1)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000159963398 408446374 /nfs/dbraw/zinc/44/63/74/408446374.db2.gz PFMBBGNQFBLWRI-CYBMUJFWSA-N 1 0 313.379 1.094 20 5 DDBDRO CCC[N@@H+]1CC[C@@H](CNC(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000183592288 408448797 /nfs/dbraw/zinc/44/87/97/408448797.db2.gz RINZVZWMBSSBTM-NSHDSACASA-N 1 0 307.354 1.843 20 5 DDBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)Nc3ccncc3[N+](=O)[O-])CC[C@@H]21 ZINC000183612310 408454537 /nfs/dbraw/zinc/45/45/37/408454537.db2.gz SAYDBMBTINCZTD-YPMHNXCESA-N 1 0 319.365 1.938 20 5 DDBDRO COCCN(CC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])cc1C ZINC000264210074 408403955 /nfs/dbraw/zinc/40/39/55/408403955.db2.gz SZXFTRYQLUSUIL-UHFFFAOYSA-N 1 0 309.366 1.553 20 5 DDBDRO CC[N@H+](CCO)CCNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000274495311 408426503 /nfs/dbraw/zinc/42/65/03/408426503.db2.gz CVKJKETUHILCLW-UHFFFAOYSA-N 1 0 320.349 1.120 20 5 DDBDRO COc1cc(C[N@H+](C)CCn2ccc([N+](=O)[O-])n2)ccc1O ZINC000177049857 408506556 /nfs/dbraw/zinc/50/65/56/408506556.db2.gz UVDBNELPIPVMEJ-UHFFFAOYSA-N 1 0 306.322 1.638 20 5 DDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H]([C@H](C)O)C1 ZINC000248525013 408582075 /nfs/dbraw/zinc/58/20/75/408582075.db2.gz CMCIEMWMFLZBEV-WOPDTQHZSA-N 1 0 307.350 1.625 20 5 DDBDRO C[N@@H+]1CCCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 ZINC000270569301 408584180 /nfs/dbraw/zinc/58/41/80/408584180.db2.gz VASDKLYKMUASMB-UHFFFAOYSA-N 1 0 306.366 1.484 20 5 DDBDRO CC1CC([NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000184323132 408590848 /nfs/dbraw/zinc/59/08/48/408590848.db2.gz GJQPEWPBXMUTBQ-UHFFFAOYSA-N 1 0 313.379 1.261 20 5 DDBDRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)CCc3cccc([N+](=O)[O-])c3)C[C@H]12 ZINC000248703086 408618884 /nfs/dbraw/zinc/61/88/84/408618884.db2.gz ZZHCKZGKVHNMDS-VHDGCEQUSA-N 1 0 303.362 1.723 20 5 DDBDRO COC(=O)[C@]1(C)CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000177470817 408631120 /nfs/dbraw/zinc/63/11/20/408631120.db2.gz BZCHWPWFIKHAMC-OAHLLOKOSA-N 1 0 308.334 1.859 20 5 DDBDRO Nc1cc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)ccn1 ZINC000193429397 408719511 /nfs/dbraw/zinc/71/95/11/408719511.db2.gz LPWHNMOAEVUIKC-LBPRGKRZSA-N 1 0 314.349 1.653 20 5 DDBDRO CN1CC[C@H]([N@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])C1=O ZINC000265650089 408732586 /nfs/dbraw/zinc/73/25/86/408732586.db2.gz NQUXQIHPOLCOHZ-ZDUSSCGKSA-N 1 0 320.349 1.086 20 5 DDBDRO C[C@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@@H]1CCOC1 ZINC000162807072 408736206 /nfs/dbraw/zinc/73/62/06/408736206.db2.gz IQXDGRQOCSKJBO-WCQYABFASA-N 1 0 319.361 1.499 20 5 DDBDRO CN(CC[N@H+](C)C1CC1)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000185218613 408781629 /nfs/dbraw/zinc/78/16/29/408781629.db2.gz UENLCTLQARFHPN-UHFFFAOYSA-N 1 0 320.393 1.873 20 5 DDBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000251665690 408783471 /nfs/dbraw/zinc/78/34/71/408783471.db2.gz LGRKVBSWWMXUKK-QWRGUYRKSA-N 1 0 322.365 1.546 20 5 DDBDRO [NH3+][C@H]1CC[C@H]2CN(C(=O)CCc3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC000185094481 408757269 /nfs/dbraw/zinc/75/72/69/408757269.db2.gz ZZHCKZGKVHNMDS-CFVMTHIKSA-N 1 0 303.362 1.723 20 5 DDBDRO C[C@@H](C[S@](C)=O)[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000185105834 408759864 /nfs/dbraw/zinc/75/98/64/408759864.db2.gz VCVIFEGTUZTYFE-YBTHPKLGSA-N 1 0 300.380 1.672 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000250875946 408780020 /nfs/dbraw/zinc/78/00/20/408780020.db2.gz KJBOSXJWUWTAKI-GHMZBOCLSA-N 1 0 313.379 1.274 20 5 DDBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)CC[C@H]21 ZINC000251496177 408780491 /nfs/dbraw/zinc/78/04/91/408780491.db2.gz DMBWAIRPECDWNB-ZYHUDNBSSA-N 1 0 320.349 1.252 20 5 DDBDRO CCC[C@]1([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCOC1 ZINC000285619171 408829375 /nfs/dbraw/zinc/82/93/75/408829375.db2.gz QOCNJDZNACWQPE-HOCLYGCPSA-N 1 0 324.377 1.883 20 5 DDBDRO CC(=O)c1ccc(OC[C@H](O)C[N@@H+](C)C2CC2)c([N+](=O)[O-])c1 ZINC000290797763 408834782 /nfs/dbraw/zinc/83/47/82/408834782.db2.gz PDQXNBHHDRBPMK-CYBMUJFWSA-N 1 0 308.334 1.631 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000285754066 408857354 /nfs/dbraw/zinc/85/73/54/408857354.db2.gz KCJBPZNPLNBSJG-WCQYABFASA-N 1 0 321.381 1.185 20 5 DDBDRO CC(C)[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000291885413 408939902 /nfs/dbraw/zinc/93/99/02/408939902.db2.gz QKEMPSZWWFGQGW-ZDUSSCGKSA-N 1 0 307.350 1.693 20 5 DDBDRO Cc1ccc(S(=O)(=O)N2C[C@H](C[NH3+])C[C@@H]2C)cc1[N+](=O)[O-] ZINC000216057673 163330541 /nfs/dbraw/zinc/33/05/41/163330541.db2.gz CKBKPEJLWPJUFJ-QWRGUYRKSA-N 1 0 313.379 1.261 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)N(C)CCC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000281853529 408941237 /nfs/dbraw/zinc/94/12/37/408941237.db2.gz YFCRBINJTOKGQG-UHFFFAOYSA-N 1 0 323.397 1.999 20 5 DDBDRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000277443161 408941959 /nfs/dbraw/zinc/94/19/59/408941959.db2.gz GYNQOFWQGFXNBY-PRHODGIISA-N 1 0 308.294 1.231 20 5 DDBDRO [NH3+]CC[C@@H]1CCCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000281965688 408963146 /nfs/dbraw/zinc/96/31/46/408963146.db2.gz NJPUZKLEHYBWQA-JTQLQIEISA-N 1 0 317.349 1.672 20 5 DDBDRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000277583576 408970336 /nfs/dbraw/zinc/97/03/36/408970336.db2.gz OQRVEHSICMQCPY-JOYOIKCWSA-N 1 0 311.313 1.227 20 5 DDBDRO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000286394441 408976940 /nfs/dbraw/zinc/97/69/40/408976940.db2.gz NGZPMGUSUOHRSG-RYUDHWBXSA-N 1 0 323.349 1.513 20 5 DDBDRO COc1cc(C(=O)N[C@H]2CC[NH2+]C[C@H]2C)cc([N+](=O)[O-])c1OC ZINC000277699220 408994868 /nfs/dbraw/zinc/99/48/68/408994868.db2.gz WAEKOBZPQUOKJO-KOLCDFICSA-N 1 0 323.349 1.340 20 5 DDBDRO CC[N@@H+]1CC[C@H]2OCCN(c3ncc(C)cc3[N+](=O)[O-])[C@H]2C1 ZINC000292814430 409041979 /nfs/dbraw/zinc/04/19/79/409041979.db2.gz OIFJRQOEHCUNEI-UONOGXRCSA-N 1 0 306.366 1.598 20 5 DDBDRO C[C@H](CCCC[NH3+])NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000293530044 409131575 /nfs/dbraw/zinc/13/15/75/409131575.db2.gz UYFAFFRORYZZSC-SECBINFHSA-N 1 0 305.338 1.718 20 5 DDBDRO CC(=O)c1cc(NC[C@H](C)N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000287655298 409071187 /nfs/dbraw/zinc/07/11/87/409071187.db2.gz CFXBLJXPKNNOLR-LBPRGKRZSA-N 1 0 320.393 1.845 20 5 DDBDRO COC(=O)c1cc(C)nc(N2CCC[C@H]2C[NH+](C)C)c1[N+](=O)[O-] ZINC000283421082 409153695 /nfs/dbraw/zinc/15/36/95/409153695.db2.gz ATFPGVNZYMJZTB-NSHDSACASA-N 1 0 322.365 1.615 20 5 DDBDRO COC[C@@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000279155854 409160275 /nfs/dbraw/zinc/16/02/75/409160275.db2.gz ZHMWAYVNCCININ-TZMCWYRMSA-N 1 0 310.350 1.757 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)N2C[C@@H](C)N(C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000293987991 409221100 /nfs/dbraw/zinc/22/11/00/409221100.db2.gz NOCMVGYZXRWQDZ-AOOOYVTPSA-N 1 0 309.370 1.606 20 5 DDBDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000261896656 163724329 /nfs/dbraw/zinc/72/43/29/163724329.db2.gz GEPHCVVAZINDIR-ZJUUUORDSA-N 1 0 311.769 1.986 20 5 DDBDRO COc1cc(C(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000262533517 163845158 /nfs/dbraw/zinc/84/51/58/163845158.db2.gz PZLCNJSQVOOCSM-PWSUYJOCSA-N 1 0 307.350 1.660 20 5 DDBDRO C[C@@H](CNc1nccc(C(N)=O)c1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000290436795 409402317 /nfs/dbraw/zinc/40/23/17/409402317.db2.gz BMFQUDALWBGIKI-JTQLQIEISA-N 1 0 307.354 1.233 20 5 DDBDRO O=C(CCn1cc([N+](=O)[O-])cn1)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000363010928 164159708 /nfs/dbraw/zinc/15/97/08/164159708.db2.gz WMQJJUUMKRIUQF-LBPRGKRZSA-N 1 0 321.381 1.315 20 5 DDBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290684380 409486331 /nfs/dbraw/zinc/48/63/31/409486331.db2.gz SUOMGKJCRMMDKA-MNOVXSKESA-N 1 0 321.381 1.621 20 5 DDBDRO C[C@@H](O)CC[N@H+](C)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000304305563 409602208 /nfs/dbraw/zinc/60/22/08/409602208.db2.gz JRSVQZPDZCJNEG-RISCZKNCSA-N 1 0 307.350 1.403 20 5 DDBDRO C[C@@H]1[C@H](C)N(C(=O)CCNc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000356891007 409691184 /nfs/dbraw/zinc/69/11/84/409691184.db2.gz WCVYAGCNCZKOSW-OLZOCXBDSA-N 1 0 320.393 1.948 20 5 DDBDRO CS[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C[C@H]1[NH+]1CCCC1 ZINC000331665037 409745344 /nfs/dbraw/zinc/74/53/44/409745344.db2.gz YUWXFRLMEKMZGC-CHWSQXEVSA-N 1 0 324.406 1.575 20 5 DDBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)CCn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000354391102 409817377 /nfs/dbraw/zinc/81/73/77/409817377.db2.gz JUGUTTHEQTXFQQ-OLZOCXBDSA-N 1 0 323.397 1.513 20 5 DDBDRO CCCN(CC[NH+]1CCCCC1)C(=O)c1c([N+](=O)[O-])cnn1C ZINC000342789409 409908060 /nfs/dbraw/zinc/90/80/60/409908060.db2.gz YCQHYJUCRRAMAQ-UHFFFAOYSA-N 1 0 323.397 1.666 20 5 DDBDRO O=C(CCN1CC[C@@H]2C[NH2+]C[C@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000357085337 409860120 /nfs/dbraw/zinc/86/01/20/409860120.db2.gz SJXPOLMLWOOTEW-OLZOCXBDSA-N 1 0 318.377 1.465 20 5 DDBDRO O=C(NCC[NH+]1CCCC1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342930782 410007408 /nfs/dbraw/zinc/00/74/08/410007408.db2.gz VJLXZVANVPIIIM-UHFFFAOYSA-N 1 0 302.334 1.902 20 5 DDBDRO C[N@@H+]1CCCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000297835060 410017674 /nfs/dbraw/zinc/01/76/74/410017674.db2.gz KBGZYYZSJCOHDH-UHFFFAOYSA-N 1 0 317.349 1.782 20 5 DDBDRO COC(=O)[C@@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000346657683 410062080 /nfs/dbraw/zinc/06/20/80/410062080.db2.gz LHCKZTKLSZRNRQ-SMDDNHRTSA-N 1 0 308.334 1.857 20 5 DDBDRO CCC[N@@H+]1CCC[C@@H]1CNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000357553300 410101807 /nfs/dbraw/zinc/10/18/07/410101807.db2.gz UCIKKZUYVMHIBQ-SNVBAGLBSA-N 1 0 307.354 1.375 20 5 DDBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000346759158 410136567 /nfs/dbraw/zinc/13/65/67/410136567.db2.gz APHFVAVIVLZCLM-VXGBXAGGSA-N 1 0 323.397 1.468 20 5 DDBDRO C[C@@H](CNC(=O)CCn1cc([N+](=O)[O-])cn1)[N@@H+]1CCCC[C@@H]1C ZINC000351700902 410159577 /nfs/dbraw/zinc/15/95/77/410159577.db2.gz TUWAYWZQIUKYRJ-STQMWFEESA-N 1 0 323.397 1.561 20 5 DDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C[C@@H](C)[NH+](C)[C@H](C)C1 ZINC000339612239 410328467 /nfs/dbraw/zinc/32/84/67/410328467.db2.gz FQJOTUBRKVGDKM-JHJVBQTASA-N 1 0 320.393 1.946 20 5 DDBDRO CC1(C)C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]2CCC[C@@H]21 ZINC000339721819 410417266 /nfs/dbraw/zinc/41/72/66/410417266.db2.gz YPFODDBSGORYJY-MELADBBJSA-N 1 0 308.382 1.663 20 5 DDBDRO C[N@H+](CCNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)C1CCCC1 ZINC000355203928 410379130 /nfs/dbraw/zinc/37/91/30/410379130.db2.gz GCTAWQRYZWGVFE-UHFFFAOYSA-N 1 0 323.397 1.517 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCOC[C@H]2CC2CCC2)c1 ZINC000339781484 410453788 /nfs/dbraw/zinc/45/37/88/410453788.db2.gz YDYPPRRCIMALAK-HIFRSBDPSA-N 1 0 324.381 1.043 20 5 DDBDRO C[NH+](C)CCSCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000339740025 410428867 /nfs/dbraw/zinc/42/88/67/410428867.db2.gz DBLXKYLRDCJCKA-UHFFFAOYSA-N 1 0 309.391 1.779 20 5 DDBDRO CC1=CC[N@H+](CCNC(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000355322487 410442089 /nfs/dbraw/zinc/44/20/89/410442089.db2.gz RRTSYTVVIKUHLP-UHFFFAOYSA-N 1 0 319.361 1.742 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@](C)(O)CC[NH+](C)C ZINC000352125470 410498502 /nfs/dbraw/zinc/49/85/02/410498502.db2.gz HTLRVTHECPYFDN-HNNXBMFYSA-N 1 0 309.366 1.336 20 5 DDBDRO Cc1nccn1CC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000299036755 410492970 /nfs/dbraw/zinc/49/29/70/410492970.db2.gz MEHFCJPJRONULQ-UHFFFAOYSA-N 1 0 315.377 1.922 20 5 DDBDRO O=[N+]([O-])c1cccc2ncnc(N3CCC[N@@H+](CCO)CC3)c21 ZINC000347413296 410532826 /nfs/dbraw/zinc/53/28/26/410532826.db2.gz SMBGPMFMUMCIID-UHFFFAOYSA-N 1 0 317.349 1.042 20 5 DDBDRO CCC[N@H+](CCO)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000299242123 410579768 /nfs/dbraw/zinc/57/97/68/410579768.db2.gz UYXFSMWWCLBPID-UHFFFAOYSA-N 1 0 309.366 1.936 20 5 DDBDRO C[C@H](CNc1ncnc2cccc([N+](=O)[O-])c21)[N@H+](C)C1CC1 ZINC000347443773 410548688 /nfs/dbraw/zinc/54/86/88/410548688.db2.gz YVVHKDXWXNOGKY-SNVBAGLBSA-N 1 0 301.350 2.433 20 5 DDBDRO C[C@H]1C[C@H](NC(=O)NCCc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000340098172 410673727 /nfs/dbraw/zinc/67/37/27/410673727.db2.gz VVPHIMVYLITDJU-GXTWGEPZSA-N 1 0 320.393 1.919 20 5 DDBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000301087133 410652002 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DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[N@@H+](C)C[C@@H]1C ZINC000330671871 410865572 /nfs/dbraw/zinc/86/55/72/410865572.db2.gz NHCSOZBDFQKIHE-ZDUSSCGKSA-N 1 0 320.393 1.868 20 5 DDBDRO C[C@H](Cn1cc(Br)c(=O)c([N+](=O)[O-])c1)[NH+](C)C ZINC000331088451 410939227 /nfs/dbraw/zinc/93/92/27/410939227.db2.gz SABKUVKNMREOIT-SSDOTTSWSA-N 1 0 304.144 1.469 20 5 DDBDRO Cc1cc(N(C)C)nc(NCc2ccc([N+](=O)[O-])cc2F)[nH+]1 ZINC000337668956 410930832 /nfs/dbraw/zinc/93/08/32/410930832.db2.gz OGYKWUVIYOVQTO-UHFFFAOYSA-N 1 0 305.313 2.510 20 5 DDBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])n2C)[C@@H](C)C1 ZINC000356284389 410943732 /nfs/dbraw/zinc/94/37/32/410943732.db2.gz PBYBKJYFDVZRCO-RYUDHWBXSA-N 1 0 308.382 1.736 20 5 DDBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)CC1(O)CCC1 ZINC000353480881 411022116 /nfs/dbraw/zinc/02/21/16/411022116.db2.gz JNSLQXXNHCYXHM-NSHDSACASA-N 1 0 307.350 1.769 20 5 DDBDRO C[N@H+]1C[C@H]2CN(c3nc4c(cc3[N+](=O)[O-])CCCC4)C[C@H]2C1 ZINC000580067738 422881840 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1.516 20 5 DDBDRO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000417766918 225432041 /nfs/dbraw/zinc/43/20/41/225432041.db2.gz PTUUTVIRGRDDJW-NWDGAFQWSA-N 1 0 306.366 1.529 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000420327066 226464405 /nfs/dbraw/zinc/46/44/05/226464405.db2.gz CSUSWFGFHOFQAM-RISCZKNCSA-N 1 0 320.393 1.901 20 5 DDBDRO C[C@@H]1CN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@H](C)C[NH2+]1 ZINC000420400654 226484316 /nfs/dbraw/zinc/48/43/16/226484316.db2.gz PDGKAJLSYKQBKS-VXGBXAGGSA-N 1 0 318.377 1.166 20 5 DDBDRO COc1ccc(OCCN2CCC3(CC[NH2+]3)CC2)c([N+](=O)[O-])c1 ZINC000422632342 227081072 /nfs/dbraw/zinc/08/10/72/227081072.db2.gz GVWGPIWANSJFCI-UHFFFAOYSA-N 1 0 321.377 1.810 20 5 DDBDRO O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000290376918 221610376 /nfs/dbraw/zinc/61/03/76/221610376.db2.gz KMGJBJCOJQLRBA-NEPJUHHUSA-N 1 0 314.345 1.758 20 5 DDBDRO O=C(CCn1cc([N+](=O)[O-])cn1)N1CCC[C@H]2C[NH2+]CCC[C@@H]21 ZINC000373558330 418438401 /nfs/dbraw/zinc/43/84/01/418438401.db2.gz ABPYKVYHJQIKCM-JSGCOSHPSA-N 1 0 321.381 1.172 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000366556046 418489350 /nfs/dbraw/zinc/48/93/50/418489350.db2.gz OCSRTSTXCPVNRW-GWCFXTLKSA-N 1 0 305.334 1.427 20 5 DDBDRO CC[NH+]1CCN(CC(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000360739007 418504066 /nfs/dbraw/zinc/50/40/66/418504066.db2.gz OOJZJEASUKGGOQ-UHFFFAOYSA-N 1 0 322.365 1.179 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])c(F)cc3N)C[C@@H]21 ZINC000374821230 418565470 /nfs/dbraw/zinc/56/54/70/418565470.db2.gz DYRXLKABHMWOTP-OTYXRUKQSA-N 1 0 322.340 1.482 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000374627936 418548525 /nfs/dbraw/zinc/54/85/25/418548525.db2.gz YBFBSEXJQXEBDT-XQQFMLRXSA-N 1 0 321.381 1.076 20 5 DDBDRO C[C@@H](O)C[N@@H+]1CCN(Cc2c(F)cccc2[N+](=O)[O-])[C@H](C)C1 ZINC000189558571 222048090 /nfs/dbraw/zinc/04/80/90/222048090.db2.gz AKILFUQAIZUYFN-VXGBXAGGSA-N 1 0 311.357 1.621 20 5 DDBDRO COc1cc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)cc(OC)c1O ZINC000290504178 418576285 /nfs/dbraw/zinc/57/62/85/418576285.db2.gz WQPOWSUXUFXVMT-UHFFFAOYSA-N 1 0 322.321 1.304 20 5 DDBDRO C[C@H](O)C[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])[C@@H](C)CO ZINC000190856875 222090138 /nfs/dbraw/zinc/09/01/38/222090138.db2.gz LQDZHFBZMBREHV-UWVGGRQHSA-N 1 0 302.758 1.812 20 5 DDBDRO CNc1ncnc2c1cnn2CCOc1ccccc1[N+](=O)[O-] ZINC000194427577 222176154 /nfs/dbraw/zinc/17/61/54/222176154.db2.gz AMLXHMDOWUQIEM-UHFFFAOYSA-N 1 0 314.305 1.855 20 5 DDBDRO CNc1ncnc2c1cnn2CCOc1cccc([N+](=O)[O-])c1 ZINC000194430869 222176703 /nfs/dbraw/zinc/17/67/03/222176703.db2.gz KQTOWCXZZABHOS-UHFFFAOYSA-N 1 0 314.305 1.855 20 5 DDBDRO C[C@H](CO)[N@@H+]1CCCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000375501775 418649463 /nfs/dbraw/zinc/64/94/63/418649463.db2.gz OBACNHVLBCEETH-CQSZACIVSA-N 1 0 307.394 1.526 20 5 DDBDRO NC(=O)c1ccc(C[N@@H+]2CC[C@@]3(C2)CCCOC3)c([N+](=O)[O-])c1 ZINC000375278911 418624020 /nfs/dbraw/zinc/62/40/20/418624020.db2.gz MNZFQHHWMCQRTR-MRXNPFEDSA-N 1 0 319.361 1.696 20 5 DDBDRO CCO[C@@H]1COCC[C@@H]1[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000362016337 418739362 /nfs/dbraw/zinc/73/93/62/418739362.db2.gz AFMVMABLWNPMAH-GXTWGEPZSA-N 1 0 323.349 1.317 20 5 DDBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000408073944 418785875 /nfs/dbraw/zinc/78/58/75/418785875.db2.gz VDSKGHUOPYGWPJ-VXGBXAGGSA-N 1 0 321.377 1.986 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1CCCC[C@@H]1N1CCOCC1 ZINC000365595284 418879887 /nfs/dbraw/zinc/87/98/87/418879887.db2.gz CQNHHDLGTGPFLY-STQMWFEESA-N 1 0 323.397 1.061 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000365249227 418846269 /nfs/dbraw/zinc/84/62/69/418846269.db2.gz PZTQGNJCHGFBFZ-NEPJUHHUSA-N 1 0 319.361 1.960 20 5 DDBDRO C[C@@H]1C[C@@H](C)N(C(=O)COc2ccc([N+](=O)[O-])cc2)C[C@H]1C[NH3+] ZINC000424061646 228223977 /nfs/dbraw/zinc/22/39/77/228223977.db2.gz YFLSGLABBWQPPF-JHJVBQTASA-N 1 0 321.377 1.805 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H]1CCCC[C@H]1[NH3+] ZINC000424329933 228258755 /nfs/dbraw/zinc/25/87/55/228258755.db2.gz HKAZUMPJXHTRLE-TZMCWYRMSA-N 1 0 306.366 1.701 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCN(C)C(=O)C1 ZINC000424330979 228259009 /nfs/dbraw/zinc/25/90/09/228259009.db2.gz SLDOMURDOGYUMB-OLZOCXBDSA-N 1 0 305.378 1.984 20 5 DDBDRO CC1(NC(=O)NCCc2cccc([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000417940599 419403020 /nfs/dbraw/zinc/40/30/20/419403020.db2.gz LVVVPOOWEAHEIS-UHFFFAOYSA-N 1 0 306.366 1.579 20 5 DDBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000417939756 419404483 /nfs/dbraw/zinc/40/44/83/419404483.db2.gz LAEDYZKGTAFSGV-HIFRSBDPSA-N 1 0 318.377 1.531 20 5 DDBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@H](C)C[C@@H](CO)C1 ZINC000420950418 419382328 /nfs/dbraw/zinc/38/23/28/419382328.db2.gz WLNMYJIRUJFWIO-FRRDWIJNSA-N 1 0 321.377 1.872 20 5 DDBDRO O=[N+]([O-])c1cc(F)c(C[NH2+][C@@H](CO)[C@H]2CCCOC2)c(F)c1 ZINC000411988705 419546758 /nfs/dbraw/zinc/54/67/58/419546758.db2.gz OOMXEJYCTQPAQI-XPTSAGLGSA-N 1 0 316.304 1.750 20 5 DDBDRO Cc1c(CNC(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000418077337 419512472 /nfs/dbraw/zinc/51/24/72/419512472.db2.gz HPUFCNUQTHVHSU-MNOVXSKESA-N 1 0 306.366 1.795 20 5 DDBDRO COC1([C@@H](C)[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCC1 ZINC000412023629 419569156 /nfs/dbraw/zinc/56/91/56/419569156.db2.gz XZXQWMQJULOZJB-TZMCWYRMSA-N 1 0 324.377 1.882 20 5 DDBDRO CC(C)[C@H]1[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC12CCC2 ZINC000427188146 419615138 /nfs/dbraw/zinc/61/51/38/419615138.db2.gz WZAHFBFQEGKILY-ZIAGYGMSSA-N 1 0 308.382 1.663 20 5 DDBDRO C[C@H]1CCCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])[C@H]1C[NH3+] ZINC000429170141 228792762 /nfs/dbraw/zinc/79/27/62/228792762.db2.gz JWVFCLCOXLZJAS-WFASDCNBSA-N 1 0 320.393 1.617 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000421704092 419689959 /nfs/dbraw/zinc/68/99/59/419689959.db2.gz NTQRGJOYUJFVFY-GFCCVEGCSA-N 1 0 307.350 1.770 20 5 DDBDRO CC(C)[C@H]([NH3+])CNC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000418418782 419787885 /nfs/dbraw/zinc/78/78/85/419787885.db2.gz YAMRGOKDWNOJHO-CYBMUJFWSA-N 1 0 308.382 1.762 20 5 DDBDRO CC[C@H]1CN(CCNC(=O)c2cccc([N+](=O)[O-])c2N)CCO1 ZINC000428070539 419805082 /nfs/dbraw/zinc/80/50/82/419805082.db2.gz BLHVMTQFNNJXCM-NSHDSACASA-N 1 0 322.365 1.018 20 5 DDBDRO COc1ccc(OCCN2CC[C@@H]3[NH2+]CC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000428033815 419791890 /nfs/dbraw/zinc/79/18/90/419791890.db2.gz NCQGAEVNFKAWSI-JSGCOSHPSA-N 1 0 321.377 1.666 20 5 DDBDRO C[C@@H]1C[C@@H](NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000418615691 419901189 /nfs/dbraw/zinc/90/11/89/419901189.db2.gz YEQLGWNXMMWLCB-OCCSQVGLSA-N 1 0 320.393 1.919 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000299526128 229183967 /nfs/dbraw/zinc/18/39/67/229183967.db2.gz QBHGFIWUMIFXED-LBPRGKRZSA-N 1 0 323.397 1.338 20 5 DDBDRO CC(C)[C@H]([NH3+])C[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000423268593 419999981 /nfs/dbraw/zinc/99/99/81/419999981.db2.gz GPSPLAYWGIKICB-SMDDNHRTSA-N 1 0 308.382 1.885 20 5 DDBDRO COC(=O)c1cc(C(=O)N2C[C@@H](C[NH3+])C[C@H]2C)cc([N+](=O)[O-])c1 ZINC000423473213 420057140 /nfs/dbraw/zinc/05/71/40/420057140.db2.gz QPKZWXRQQLZYMT-NXEZZACHSA-N 1 0 321.333 1.191 20 5 DDBDRO C[NH2+]C[C@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000415507863 420094487 /nfs/dbraw/zinc/09/44/87/420094487.db2.gz UITQNNKUQDJSDP-SNVBAGLBSA-N 1 0 308.338 1.677 20 5 DDBDRO Cc1ccc(NC(=O)C(=O)N2C[C@@H](C[NH3+])C[C@H]2C)cc1[N+](=O)[O-] ZINC000415531581 420101555 /nfs/dbraw/zinc/10/15/55/420101555.db2.gz VEHKIHLPSGTQNX-GHMZBOCLSA-N 1 0 320.349 1.037 20 5 DDBDRO COc1cc(C(=O)N[C@@H](CC[NH3+])C(F)F)cc([N+](=O)[O-])c1C ZINC000423685802 420127005 /nfs/dbraw/zinc/12/70/05/420127005.db2.gz SYSKFAIYRCAFRH-VIFPVBQESA-N 1 0 317.292 1.624 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000423705154 420134402 /nfs/dbraw/zinc/13/44/02/420134402.db2.gz GVLBDDWTSMLVGK-UHFFFAOYSA-N 1 0 307.350 1.818 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@]2(CNC(=O)C2)C1 ZINC000430195579 420088239 /nfs/dbraw/zinc/08/82/39/420088239.db2.gz OGEZMTRRFGBXBV-INIZCTEOSA-N 1 0 319.361 1.706 20 5 DDBDRO O=C(CN1CC[C@@H]2C[NH2+]C[C@@H]21)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000420332160 420216473 /nfs/dbraw/zinc/21/64/73/420216473.db2.gz CRYAOLLMMZPBRR-RNCFNFMXSA-N 1 0 324.768 1.480 20 5 DDBDRO C[C@@H]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](C[NH3+])C1 ZINC000420324818 420209795 /nfs/dbraw/zinc/20/97/95/420209795.db2.gz BCNVERRSGCYPSH-IUODEOHRSA-N 1 0 320.393 1.983 20 5 DDBDRO C[NH2+]C[C@@H]1CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000430931743 420212393 /nfs/dbraw/zinc/21/23/93/420212393.db2.gz CLHNVCGXYIEFHO-LBPRGKRZSA-N 1 0 318.377 1.025 20 5 DDBDRO COc1cc(C(=O)N[C@H]2CC[NH2+]C2(C)C)cc([N+](=O)[O-])c1C ZINC000423727976 420145710 /nfs/dbraw/zinc/14/57/10/420145710.db2.gz JMOCGCQDBDBQDN-ZDUSSCGKSA-N 1 0 307.350 1.782 20 5 DDBDRO Cc1c(NC(=O)C(=O)N[C@H]2CCC[NH2+][C@H]2C)cccc1[N+](=O)[O-] ZINC000415685699 420147295 /nfs/dbraw/zinc/14/72/95/420147295.db2.gz UTCISOOSPMNEBJ-JQWIXIFHSA-N 1 0 320.349 1.098 20 5 DDBDRO COC(=O)c1cc(C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)cc([N+](=O)[O-])c1 ZINC000423743440 420154469 /nfs/dbraw/zinc/15/44/69/420154469.db2.gz LVSJWDAUSBAXBY-JOYOIKCWSA-N 1 0 321.333 1.239 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[C@H](C[NH3+])C1 ZINC000430628614 420163879 /nfs/dbraw/zinc/16/38/79/420163879.db2.gz OTTWODDQKBEENS-GFCCVEGCSA-N 1 0 306.366 1.512 20 5 DDBDRO Cc1c(NC(=O)C(=O)N[C@H](C)CCCC[NH3+])cccc1[N+](=O)[O-] ZINC000415749074 420164964 /nfs/dbraw/zinc/16/49/64/420164964.db2.gz ZTKZIGIJCXLCDD-SNVBAGLBSA-N 1 0 322.365 1.475 20 5 DDBDRO Cc1c(NC(=O)[C@@H](C)N2CCC[C@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000430658377 420170997 /nfs/dbraw/zinc/17/09/97/420170997.db2.gz XJMIWXHQHDOBRS-CHWSQXEVSA-N 1 0 320.393 1.901 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NC[C@H]1C[NH2+]CCN1C ZINC000420273227 420177032 /nfs/dbraw/zinc/17/70/32/420177032.db2.gz LUJSFNCNHRHGGU-LLVKDONJSA-N 1 0 322.365 1.005 20 5 DDBDRO C[C@@H]1CN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C[C@@]1(C)C[NH3+] ZINC000423983082 420289528 /nfs/dbraw/zinc/28/95/28/420289528.db2.gz LNFKMMXRCLVJNT-RFAUZJTJSA-N 1 0 317.349 1.528 20 5 DDBDRO Cn1c(C(=O)N2CCCC[C@H]2[C@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000423956131 420283406 /nfs/dbraw/zinc/28/34/06/420283406.db2.gz AHFVPCYWNMMQJY-RYUDHWBXSA-N 1 0 306.366 1.538 20 5 DDBDRO Cc1[nH]nc(C(=O)N2C[C@H]([NH3+])Cc3ccccc32)c1[N+](=O)[O-] ZINC000424073228 420309675 /nfs/dbraw/zinc/30/96/75/420309675.db2.gz HFMZPDKMTJFVNX-SNVBAGLBSA-N 1 0 301.306 1.157 20 5 DDBDRO CN(C[C@H]1CCC[N@H+](C)C1)c1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420604503 420328861 /nfs/dbraw/zinc/32/88/61/420328861.db2.gz RZELMEBIHLPSPR-NSHDSACASA-N 1 0 306.366 1.472 20 5 DDBDRO Cc1c(NC(=O)CCN2CC[NH2+][C@@H](C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000436057801 420304081 /nfs/dbraw/zinc/30/40/81/420304081.db2.gz HDMXBNIZBVQMFH-STQMWFEESA-N 1 0 320.393 1.914 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[NH2+][C@@H](C)[C@@H]1C ZINC000436058947 420304603 /nfs/dbraw/zinc/30/46/03/420304603.db2.gz JLQURGLCTRCZPF-STQMWFEESA-N 1 0 320.393 1.914 20 5 DDBDRO C[C@H](CC[NH3+])NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000417722680 420461281 /nfs/dbraw/zinc/46/12/81/420461281.db2.gz VXQOCJZRNNJQJC-GFCCVEGCSA-N 1 0 308.382 1.954 20 5 DDBDRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000417771375 420474361 /nfs/dbraw/zinc/47/43/61/420474361.db2.gz UZDKWMHGMFLTQV-AAEUAGOBSA-N 1 0 306.366 1.435 20 5 DDBDRO CCC[N@H+](C)C[C@H]1CCN(c2cccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000439163688 420483461 /nfs/dbraw/zinc/48/34/61/420483461.db2.gz SYJUZZKADIOSDK-GFCCVEGCSA-N 1 0 320.393 1.862 20 5 DDBDRO [NH3+]C[C@@H]1CCCN(C(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000493063889 420746422 /nfs/dbraw/zinc/74/64/22/420746422.db2.gz NHAAWVBUYOFMIK-MALLOTDXSA-N 1 0 307.325 1.944 20 5 DDBDRO C[C@@H]1C[C@@H](C[NH3+])CN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000442777257 420713972 /nfs/dbraw/zinc/71/39/72/420713972.db2.gz IQKVSHOXINXLKA-MNOVXSKESA-N 1 0 317.349 1.814 20 5 DDBDRO CCNC(=O)[C@H](C)[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447507885 420776525 /nfs/dbraw/zinc/77/65/25/420776525.db2.gz JDCDGBGSKIFKQL-SDDRHHMPSA-N 1 0 309.370 1.389 20 5 DDBDRO O=[N+]([O-])c1cc(C[NH2+][C@H](CO)[C@@H]2CCCO2)c2c(c1)COCO2 ZINC000447909738 420816295 /nfs/dbraw/zinc/81/62/95/420816295.db2.gz DORQPBMLQXJNAN-KGLIPLIRSA-N 1 0 324.333 1.091 20 5 DDBDRO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000493498405 420866128 /nfs/dbraw/zinc/86/61/28/420866128.db2.gz QHAYMRZDPYGEOZ-LQKZOZGNSA-N 1 0 307.325 1.956 20 5 DDBDRO CC[C@@H]1OCC[C@H]1[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000459789374 420873967 /nfs/dbraw/zinc/87/39/67/420873967.db2.gz GFWDLTUXUMGJDU-CFVMTHIKSA-N 1 0 310.350 1.492 20 5 DDBDRO CCNC(=O)N1CC[C@H]([NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000449188066 420966123 /nfs/dbraw/zinc/96/61/23/420966123.db2.gz RMKPWXKOOQADPR-OCCSQVGLSA-N 1 0 320.393 1.919 20 5 DDBDRO COc1ccc(OCCN2[C@H](C)C[NH2+]C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000493794069 420943744 /nfs/dbraw/zinc/94/37/44/420943744.db2.gz LRYJPLZCLUXSLG-TXEJJXNPSA-N 1 0 309.366 1.664 20 5 DDBDRO C[NH+](C)[C@@H]1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000486932207 420993491 /nfs/dbraw/zinc/99/34/91/420993491.db2.gz USARCICMODUAPH-GFCCVEGCSA-N 1 0 303.322 1.785 20 5 DDBDRO COC[C@](C)(O)CC[NH2+]Cc1cc(OC)c(O)cc1[N+](=O)[O-] ZINC000449386060 421002533 /nfs/dbraw/zinc/00/25/33/421002533.db2.gz SARMFNUPDWCGFR-CQSZACIVSA-N 1 0 314.338 1.186 20 5 DDBDRO C[C@@H](CCC[NH3+])NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000449568107 421027936 /nfs/dbraw/zinc/02/79/36/421027936.db2.gz XDVGSLIPAFVHON-NSHDSACASA-N 1 0 317.349 1.638 20 5 DDBDRO [NH3+]CC[C@@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000449718438 421067979 /nfs/dbraw/zinc/06/79/79/421067979.db2.gz JONZIRSYGLKOGT-SNVBAGLBSA-N 1 0 321.255 1.370 20 5 DDBDRO CN(CC(=O)N[C@@H]1CC[C@H](C[NH3+])C1)c1ccccc1[N+](=O)[O-] ZINC000449727339 421069894 /nfs/dbraw/zinc/06/98/94/421069894.db2.gz PIPJAFIKLIMPJV-NWDGAFQWSA-N 1 0 306.366 1.275 20 5 DDBDRO COc1ccc(CC(=O)N(C)[C@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000525524753 421292221 /nfs/dbraw/zinc/29/22/21/421292221.db2.gz JHXJAXUSJHUEMV-ZDUSSCGKSA-N 1 0 321.377 1.699 20 5 DDBDRO C[N@@H+]1CC[C@H](C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000527054190 421351254 /nfs/dbraw/zinc/35/12/54/421351254.db2.gz SXVPUPNMLABNJI-NSHDSACASA-N 1 0 305.334 1.136 20 5 DDBDRO CCCC[NH+]1CCC(NC(=O)c2ccnc(N)c2[N+](=O)[O-])CC1 ZINC000548386503 421430899 /nfs/dbraw/zinc/43/08/99/421430899.db2.gz ZLOXCBFYVXGZND-UHFFFAOYSA-N 1 0 321.381 1.566 20 5 DDBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000514923841 421465892 /nfs/dbraw/zinc/46/58/92/421465892.db2.gz ALYKKPQBIZCOQO-INIZCTEOSA-N 1 0 318.377 1.880 20 5 DDBDRO CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000563916280 421556277 /nfs/dbraw/zinc/55/62/77/421556277.db2.gz LVCGNVMIXUJLQS-ZDUSSCGKSA-N 1 0 306.366 1.936 20 5 DDBDRO Cc1c(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000551763128 421541836 /nfs/dbraw/zinc/54/18/36/421541836.db2.gz YEBIEBTZWZCZSL-UHFFFAOYSA-N 1 0 322.409 1.469 20 5 DDBDRO C[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1CCOCC1 ZINC000530627231 421610853 /nfs/dbraw/zinc/61/08/53/421610853.db2.gz KLDXABZPQVIDGA-CQSZACIVSA-N 1 0 310.350 1.445 20 5 DDBDRO C[N@H+](CCNC(=O)c1ccc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000531627230 421640853 /nfs/dbraw/zinc/64/08/53/421640853.db2.gz APAAZHXHDCVRKH-UHFFFAOYSA-N 1 0 314.345 1.852 20 5 DDBDRO C[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000519638740 421711121 /nfs/dbraw/zinc/71/11/21/421711121.db2.gz DDTMAMYBQZLVKI-JOYOIKCWSA-N 1 0 315.333 1.921 20 5 DDBDRO C[C@H]1CC[N@H+](CC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1 ZINC000572177868 421767095 /nfs/dbraw/zinc/76/70/95/421767095.db2.gz DNQIOUFHBYIYMC-LBPRGKRZSA-N 1 0 321.381 1.297 20 5 DDBDRO CN1C[C@@H]([N@H+](C)CCOc2cccc([N+](=O)[O-])c2)CCC1=O ZINC000520952791 421767861 /nfs/dbraw/zinc/76/78/61/421767861.db2.gz HEWWGDFZYNKUHK-ZDUSSCGKSA-N 1 0 307.350 1.526 20 5 DDBDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC000521144116 421774449 /nfs/dbraw/zinc/77/44/49/421774449.db2.gz TYNOLPDMRHQNHS-LBPRGKRZSA-N 1 0 308.382 1.784 20 5 DDBDRO O=[N+]([O-])c1cc2c(ncnc2N2CCC3(CC[NH2+]3)CC2)s1 ZINC000581423321 421968208 /nfs/dbraw/zinc/96/82/08/421968208.db2.gz ZSAQSWUEDZZIBX-UHFFFAOYSA-N 1 0 305.363 1.932 20 5 DDBDRO CCn1ccnc1[C@H]1CCCCN1C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000574057916 422056993 /nfs/dbraw/zinc/05/69/93/422056993.db2.gz OFRWTPCFICQHHG-LLVKDONJSA-N 1 0 318.337 1.902 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@H](C[NH3+])C1 ZINC000574917395 422216460 /nfs/dbraw/zinc/21/64/60/422216460.db2.gz XCNLQXGXRQIFTQ-GFCCVEGCSA-N 1 0 306.366 1.512 20 5 DDBDRO CC1CC[NH+](CCCCNc2ccc(N)c([N+](=O)[O-])n2)CC1 ZINC000596076020 422361556 /nfs/dbraw/zinc/36/15/56/422361556.db2.gz AKOJOUTUWKCOKS-UHFFFAOYSA-N 1 0 307.398 2.496 20 5 DDBDRO Cc1c(C[NH+]2CCC(c3nc(N)n[nH]3)CC2)cccc1[N+](=O)[O-] ZINC000590600131 422322662 /nfs/dbraw/zinc/32/26/62/422322662.db2.gz JJLJIWQBBBBFDO-UHFFFAOYSA-N 1 0 316.365 1.983 20 5 DDBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2ccnc(N)c2[N+](=O)[O-])C1 ZINC000597860251 422392222 /nfs/dbraw/zinc/39/22/22/422392222.db2.gz MPLWMPYVUURLNL-JTQLQIEISA-N 1 0 321.381 1.422 20 5 DDBDRO C[NH+](C)CCn1ccc(NC(=O)c2c(F)cccc2[N+](=O)[O-])n1 ZINC000601023951 422414324 /nfs/dbraw/zinc/41/43/24/422414324.db2.gz IRKRQFKCUDQYLS-UHFFFAOYSA-N 1 0 321.312 1.744 20 5 DDBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NCC[NH+]1CCC(O)CC1 ZINC000321275818 271026647 /nfs/dbraw/zinc/02/66/47/271026647.db2.gz CIJJXYXBIAKWFK-UTCJRWHESA-N 1 0 319.361 1.181 20 5 DDBDRO CO[C@@H]1CCN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)[C@@H](C[NH3+])C1 ZINC000322012040 271028500 /nfs/dbraw/zinc/02/85/00/271028500.db2.gz BCCUSTMEFRYXFR-JBZXTQMFSA-N 1 0 319.361 1.573 20 5 DDBDRO CC[NH+](CC)C[C@@H](C)NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000341707317 271181042 /nfs/dbraw/zinc/18/10/42/271181042.db2.gz VJWOCGBDMOUKGE-GFCCVEGCSA-N 1 0 309.366 1.820 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@]12CCOC2 ZINC000341956084 271259191 /nfs/dbraw/zinc/25/91/91/271259191.db2.gz SKIYNELTTRYQKY-XJKSGUPXSA-N 1 0 322.361 1.589 20 5 DDBDRO O=C1CC[C@H]([NH2+]Cc2c(F)cccc2[N+](=O)[O-])[C@@H](C2CC2)N1 ZINC000342073948 271290994 /nfs/dbraw/zinc/29/09/94/271290994.db2.gz ZIFPQVWMYCNGLE-SWLSCSKDSA-N 1 0 307.325 1.881 20 5 DDBDRO CCCN(CC[NH+]1CCCC1)C(=O)c1c([N+](=O)[O-])cnn1C ZINC000342283664 271366291 /nfs/dbraw/zinc/36/62/91/271366291.db2.gz KXKDOHBPTODFGU-UHFFFAOYSA-N 1 0 309.370 1.276 20 5 DDBDRO Cn1c(C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)ccc1[N+](=O)[O-] ZINC000344620094 272071936 /nfs/dbraw/zinc/07/19/36/272071936.db2.gz RKVRLWARCYTRCK-GFCCVEGCSA-N 1 0 308.382 1.784 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCC[C@H]1C(=O)NC ZINC000345819387 272343470 /nfs/dbraw/zinc/34/34/70/272343470.db2.gz PPWOPJJKURYVNF-ZIAGYGMSSA-N 1 0 321.377 1.998 20 5 DDBDRO O=C(NCC[NH+]1CCC1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000345966950 272377594 /nfs/dbraw/zinc/37/75/94/272377594.db2.gz CZMLMLDHIIGMDB-UHFFFAOYSA-N 1 0 300.318 1.579 20 5 DDBDRO O=[N+]([O-])c1cnc(N2CC[NH+](CCc3ccccc3)CC2)nc1 ZINC000273225851 275041098 /nfs/dbraw/zinc/04/10/98/275041098.db2.gz VZCSBHMGPLYJGB-UHFFFAOYSA-N 1 0 313.361 1.750 20 5 DDBDRO C[NH2+]C[C@H]1CCCN1S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000261606596 277285766 /nfs/dbraw/zinc/28/57/66/277285766.db2.gz CZQCGNSICYGQIQ-SECBINFHSA-N 1 0 317.342 1.106 20 5 DDBDRO COC[C@H](CO)[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000280969530 277591882 /nfs/dbraw/zinc/59/18/82/277591882.db2.gz LFUBGLYCWDGWRW-VHDGCEQUSA-N 1 0 308.378 1.903 20 5 DDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)CN1CCOCC1 ZINC000449080990 278298857 /nfs/dbraw/zinc/29/88/57/278298857.db2.gz AVYIYPGAKZDXJQ-KBPBESRZSA-N 1 0 307.394 1.836 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000424019821 278665781 /nfs/dbraw/zinc/66/57/81/278665781.db2.gz KWCXNQNUNYXLET-LBPRGKRZSA-N 1 0 307.350 1.401 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](CO)[C@@H]1CCOC1 ZINC000449303788 279381996 /nfs/dbraw/zinc/38/19/96/279381996.db2.gz YYCUQFDQMPOWHF-YUELXQCFSA-N 1 0 308.378 1.760 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CSCC[NH+](C)C ZINC000120227041 281115319 /nfs/dbraw/zinc/11/53/19/281115319.db2.gz BCCMNVNRRNCADZ-UHFFFAOYSA-N 1 0 313.379 1.837 20 5 DDBDRO C[NH+](C)[C@H](CNC(=O)Cn1ccc([N+](=O)[O-])n1)c1cccs1 ZINC000126770489 281252292 /nfs/dbraw/zinc/25/22/92/281252292.db2.gz XMSKXYJPCPNMBF-SNVBAGLBSA-N 1 0 323.378 1.272 20 5 DDBDRO Cn1nc([N+](=O)[O-])cc1C(=O)Nc1cc(C[NH+](C)C)ccn1 ZINC000356730751 298860875 /nfs/dbraw/zinc/86/08/75/298860875.db2.gz ODTRNCRROQAKSK-UHFFFAOYSA-N 1 0 304.310 1.037 20 5 DDBDRO NC(=O)c1ccnc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000357312607 299006265 /nfs/dbraw/zinc/00/62/65/299006265.db2.gz JNAMULTUGNQHIS-ZJUUUORDSA-N 1 0 305.338 1.127 20 5 DDBDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000357918985 299019726 /nfs/dbraw/zinc/01/97/26/299019726.db2.gz ZKYZQTFJWIASOF-GHMZBOCLSA-N 1 0 309.370 1.321 20 5 DDBDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]1C[C@@H]1[N+](=O)[O-] ZINC000363050833 300203916 /nfs/dbraw/zinc/20/39/16/300203916.db2.gz NMAYFIITZFOZCJ-XHSDSOJGSA-N 1 0 317.389 1.632 20 5 DDBDRO C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000363124898 300215455 /nfs/dbraw/zinc/21/54/55/300215455.db2.gz DHMOEQNNMWIJQT-FVQBIDKESA-N 1 0 317.389 1.775 20 5 DDBDRO C[C@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)[C@@H]1COc2ccccc21 ZINC000363836609 300314603 /nfs/dbraw/zinc/31/46/03/300314603.db2.gz VBIHZVLPSODCCT-JQWIXIFHSA-N 1 0 302.334 1.983 20 5 DDBDRO O=C(NC1CC([NH+]2CCCCC2)C1)c1ccc([N+](=O)[O-])cn1 ZINC000365434811 300511871 /nfs/dbraw/zinc/51/18/71/300511871.db2.gz ZXGJAZHAJIXCPL-UHFFFAOYSA-N 1 0 304.350 1.737 20 5 DDBDRO C[C@@H]1CN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC[C@H]1[NH3+] ZINC000574917408 304697798 /nfs/dbraw/zinc/69/77/98/304697798.db2.gz YRCGQLWINJKCIV-PSASIEDQSA-N 1 0 307.306 1.133 20 5 DDBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000368378597 301014797 /nfs/dbraw/zinc/01/47/97/301014797.db2.gz PKNHMHCZBVIVSE-SMDDNHRTSA-N 1 0 304.350 1.217 20 5 DDBDRO COc1cccc(N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c1[N+](=O)[O-] ZINC000368384983 301015903 /nfs/dbraw/zinc/01/59/03/301015903.db2.gz ZGAYGMFJCYUWLL-TZMCWYRMSA-N 1 0 321.377 1.639 20 5 DDBDRO COc1cccc(NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c1[N+](=O)[O-] ZINC000368486707 301038726 /nfs/dbraw/zinc/03/87/26/301038726.db2.gz OVOOCYZDYUSQDC-VXGBXAGGSA-N 1 0 307.350 1.879 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CCN(C[C@H](O)c3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC000370148577 301283606 /nfs/dbraw/zinc/28/36/06/301283606.db2.gz BFQHNSYPOOGNPN-WQVCFCJDSA-N 1 0 305.378 1.654 20 5 DDBDRO Cn1ccc(N2CC[C@@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000371714234 301491311 /nfs/dbraw/zinc/49/13/11/301491311.db2.gz IYOMAZNWIUIOHF-CYBMUJFWSA-N 1 0 301.350 1.697 20 5 DDBDRO CC(C)(NC(=O)[C@@H]1C[C@@]12CC[NH2+]C2)c1ccc([N+](=O)[O-])cc1 ZINC000372436318 301571162 /nfs/dbraw/zinc/57/11/62/301571162.db2.gz IHMOVYYHCIXQJU-XJKSGUPXSA-N 1 0 303.362 1.946 20 5 DDBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000372869319 301626343 /nfs/dbraw/zinc/62/63/43/301626343.db2.gz JSDNADVHCXRRJJ-QWHCGFSZSA-N 1 0 319.361 1.574 20 5 DDBDRO C[NH+]1CCC2(CCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)CC1 ZINC000374110913 301761499 /nfs/dbraw/zinc/76/14/99/301761499.db2.gz YMDZPFKZEJKHJS-UHFFFAOYSA-N 1 0 307.354 1.266 20 5 DDBDRO O=C1NC[C@H]2C[N@H+](CCCOc3ccc([N+](=O)[O-])cc3)CC[C@@H]12 ZINC000377717983 302218622 /nfs/dbraw/zinc/21/86/22/302218622.db2.gz CWZIFSXAVOLACA-SWLSCSKDSA-N 1 0 319.361 1.432 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)n1 ZINC000377791131 302233822 /nfs/dbraw/zinc/23/38/22/302233822.db2.gz ZDLPFZIAUNBWFZ-OCCSQVGLSA-N 1 0 306.366 1.825 20 5 DDBDRO C[C@@H]1CCC[C@@](CNC(=O)c2cc([N+](=O)[O-])nn2C)([NH+](C)C)C1 ZINC000356472461 306852500 /nfs/dbraw/zinc/85/25/00/306852500.db2.gz BDLKVOZTOPMHIK-IAQYHMDHSA-N 1 0 323.397 1.569 20 5 DDBDRO C[NH2+]CCCN(C)C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000516180819 302786028 /nfs/dbraw/zinc/78/60/28/302786028.db2.gz LBAFHROCRUOVKP-UHFFFAOYSA-N 1 0 318.333 1.530 20 5 DDBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000517568395 302815271 /nfs/dbraw/zinc/81/52/71/302815271.db2.gz CIZLKVYLRLHTNM-QWRGUYRKSA-N 1 0 317.349 1.636 20 5 DDBDRO C[C@H](C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)Cc1cccs1 ZINC000521031299 302869743 /nfs/dbraw/zinc/86/97/43/302869743.db2.gz ZLJSEGPLYPWFFB-WCQYABFASA-N 1 0 324.406 1.682 20 5 DDBDRO CC[NH2+][C@H](C)CNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000562980231 303905321 /nfs/dbraw/zinc/90/53/21/303905321.db2.gz NMAZXEHPADNFOZ-SECBINFHSA-N 1 0 309.322 1.094 20 5 DDBDRO CNC(=O)C[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000361635017 307001906 /nfs/dbraw/zinc/00/19/06/307001906.db2.gz CWUCKICLNIAEGB-CYBMUJFWSA-N 1 0 317.349 1.258 20 5 DDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000367642773 307099985 /nfs/dbraw/zinc/09/99/85/307099985.db2.gz KBYVAEPWFHNYIY-UHFFFAOYSA-N 1 0 304.350 1.393 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000376575953 307248381 /nfs/dbraw/zinc/24/83/81/307248381.db2.gz XRRVOOGMXXXCEK-DOMZBBRYSA-N 1 0 318.377 1.997 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc(F)ccc3[N+](=O)[O-])C[C@@H]21 ZINC000378474495 307288765 /nfs/dbraw/zinc/28/87/65/307288765.db2.gz RBEOYIPRHRRNOW-YGRLFVJLSA-N 1 0 307.325 1.900 20 5 DDBDRO CCC[NH+]1CCC(CNC(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000531627781 307620300 /nfs/dbraw/zinc/62/03/00/307620300.db2.gz JPJQKAPYZBVFTK-UHFFFAOYSA-N 1 0 306.366 1.842 20 5 DDBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000563537387 307974156 /nfs/dbraw/zinc/97/41/56/307974156.db2.gz SUCOYULWZOJLNN-DCAQKATOSA-N 1 0 322.365 1.014 20 5 DDBDRO C[C@@H]1CN(C[C@@H](O)C[NH2+]Cc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000565299774 308027449 /nfs/dbraw/zinc/02/74/49/308027449.db2.gz LGJFEVQOWUHJGV-ZENOOKHLSA-N 1 0 323.393 1.155 20 5 DDBDRO C[C@@H]1CN(C[C@H](O)C[NH2+]Cc2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000565299773 308027596 /nfs/dbraw/zinc/02/75/96/308027596.db2.gz LGJFEVQOWUHJGV-XJKCOSOUSA-N 1 0 323.393 1.155 20 5 DDBDRO C[NH2+]CCNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000566237163 308051046 /nfs/dbraw/zinc/05/10/46/308051046.db2.gz LHQIZWCVLVPZSX-UHFFFAOYSA-N 1 0 306.366 1.147 20 5 DDBDRO C[C@@H]1CC[C@@H](C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])O1 ZINC000567697062 308091798 /nfs/dbraw/zinc/09/17/98/308091798.db2.gz NVEOALUZMPSOKJ-AGIUHOORSA-N 1 0 310.350 1.492 20 5 DDBDRO COc1ccc([C@H](C[NH3+])Cn2cc([N+](=O)[O-])cc(C)c2=O)cc1 ZINC000571321514 308194101 /nfs/dbraw/zinc/19/41/01/308194101.db2.gz ZWLABESBUQTYKO-CYBMUJFWSA-N 1 0 317.345 1.816 20 5 DDBDRO O=C(CC[NH2+]C[C@H](O)C1CCC1)Nc1ccccc1[N+](=O)[O-] ZINC000571326696 308194319 /nfs/dbraw/zinc/19/43/19/308194319.db2.gz KAFVLKSQLGJKKE-AWEZNQCLSA-N 1 0 307.350 1.674 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1O ZINC000573324170 308237627 /nfs/dbraw/zinc/23/76/27/308237627.db2.gz IURBWZAAUWBRGI-YRGRVCCFSA-N 1 0 310.350 1.228 20 5 DDBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@@H](C2CC2)[C@H]2CNCCO2)cc1 ZINC000573675777 308248156 /nfs/dbraw/zinc/24/81/56/308248156.db2.gz FZXGMESVBOXVQR-CVEARBPZSA-N 1 0 321.377 1.330 20 5 DDBDRO C[NH2+][C@H]1CCCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000578891440 308492864 /nfs/dbraw/zinc/49/28/64/308492864.db2.gz BHUZBKXZRPFNFH-VIFPVBQESA-N 1 0 307.306 1.148 20 5 DDBDRO C[C@H](Cn1ccnc1)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000580064271 308576971 /nfs/dbraw/zinc/57/69/71/308576971.db2.gz SXJJYZXILAYEOY-OCCSQVGLSA-N 1 0 320.349 1.209 20 5 DDBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000581000827 308646389 /nfs/dbraw/zinc/64/63/89/308646389.db2.gz FTOVVVNDXKOZRG-QWHCGFSZSA-N 1 0 304.350 1.346 20 5 DDBDRO [NH3+]CC[C@H](NC(=O)c1c(Cl)cccc1[N+](=O)[O-])C(F)F ZINC000383463483 325749199 /nfs/dbraw/zinc/74/91/99/325749199.db2.gz KFFXQMORRXGWIE-ZETCQYMHSA-N 1 0 307.684 1.961 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@@H]2CCCC2(F)F)c1 ZINC000390875445 325783515 /nfs/dbraw/zinc/78/35/15/325783515.db2.gz LJEUHTKKLIBBIU-ONGXEEELSA-N 1 0 304.297 1.177 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@H]2CCCC2(F)F)c1 ZINC000390875440 325783678 /nfs/dbraw/zinc/78/36/78/325783678.db2.gz LJEUHTKKLIBBIU-KOLCDFICSA-N 1 0 304.297 1.177 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000583103064 337240895 /nfs/dbraw/zinc/24/08/95/337240895.db2.gz YOJJSHUXNCAOID-HNNXBMFYSA-N 1 0 306.366 1.491 20 5 DDBDRO O=C(CC[NH2+][C@@H]1C=C[C@H](CO)C1)Nc1ccccc1[N+](=O)[O-] ZINC000583812819 337337365 /nfs/dbraw/zinc/33/73/65/337337365.db2.gz VTYDXKRYJDAQHL-NWDGAFQWSA-N 1 0 305.334 1.450 20 5 DDBDRO [NH3+]CC[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)C(F)(F)F ZINC000307816193 484376418 /nfs/dbraw/zinc/37/64/18/484376418.db2.gz KYQMHFSCDSMINF-SECBINFHSA-N 1 0 309.219 1.743 20 5 DDBDRO COC(=O)c1cc(C(=O)NC(C)(C)CC[NH3+])cc([N+](=O)[O-])c1 ZINC000424048066 533731465 /nfs/dbraw/zinc/73/14/65/533731465.db2.gz PXYLJUGBRJNJKI-UHFFFAOYSA-N 1 0 309.322 1.239 20 5 DDBDRO Cc1c(NC(=O)CCN2CC[NH2+][C@H](C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000436057798 533900287 /nfs/dbraw/zinc/90/02/87/533900287.db2.gz HDMXBNIZBVQMFH-CHWSQXEVSA-N 1 0 320.393 1.914 20 5 DDBDRO C[C@@H]1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000424027246 533949758 /nfs/dbraw/zinc/94/97/58/533949758.db2.gz YEZNNSXKIDUIJR-NEPJUHHUSA-N 1 0 307.350 1.417 20 5 DDBDRO C[C@@H]1CN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC[C@@H]1[NH3+] ZINC000417238390 534313430 /nfs/dbraw/zinc/31/34/30/534313430.db2.gz YKXZBVLFPJASDR-RISCZKNCSA-N 1 0 306.366 1.516 20 5 DDBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)NCC[C@@H]1CC[NH2+]C1 ZINC000417226071 534462496 /nfs/dbraw/zinc/46/24/96/534462496.db2.gz KFMQQZJSOUOGCK-ZDUSSCGKSA-N 1 0 306.366 1.436 20 5 DDBDRO Cc1nc(NCCCC[NH+]2C[C@H](C)O[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000297616118 534489010 /nfs/dbraw/zinc/48/90/10/534489010.db2.gz VZNVLUZVPQHFFN-RYUDHWBXSA-N 1 0 323.397 1.995 20 5 DDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000423724578 534739669 /nfs/dbraw/zinc/73/96/69/534739669.db2.gz RTDJFAMUWBSEQZ-RYUDHWBXSA-N 1 0 318.377 1.639 20 5 DDBDRO O=C(Nc1ccncc1[N+](=O)[O-])N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000332331755 534771692 /nfs/dbraw/zinc/77/16/92/534771692.db2.gz STYVPJFBVINNLL-LBPRGKRZSA-N 1 0 319.365 1.408 20 5 DDBDRO CC(C)(C)C[C@H]1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000452080371 526271701 /nfs/dbraw/zinc/27/17/01/526271701.db2.gz ORWXECISVDMYTJ-OCCSQVGLSA-N 1 0 310.398 1.910 20 5 DDBDRO CC(C)(C)C[C@@H]1CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000452080368 527699431 /nfs/dbraw/zinc/69/94/31/527699431.db2.gz ORWXECISVDMYTJ-GXTWGEPZSA-N 1 0 310.398 1.910 20 5 DDBDRO CC(C)[C@H]1CN(C(=O)CNc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000490293377 527827712 /nfs/dbraw/zinc/82/77/12/527827712.db2.gz NPDLXRYBCATRJW-OAHLLOKOSA-N 1 0 320.393 1.805 20 5 DDBDRO CC[N@@H+]1CCC[C@H](CNc2ncc(C(=O)OC)cc2[N+](=O)[O-])C1 ZINC000302659360 529086019 /nfs/dbraw/zinc/08/60/19/529086019.db2.gz AQUVLRGMHFMWFD-LLVKDONJSA-N 1 0 322.365 1.920 20 5 DDBDRO O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1NCCC[NH+]1CCCC1 ZINC000823625416 607165394 /nfs/dbraw/zinc/16/53/94/607165394.db2.gz USDNSUUOZNXUEB-UHFFFAOYSA-N 1 0 318.341 1.068 20 5 DDBDRO [NH3+]CC[C@@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000070170371 696387576 /nfs/dbraw/zinc/38/75/76/696387576.db2.gz ZOAUTJDCKUYDKJ-NSHDSACASA-N 1 0 313.379 1.344 20 5 DDBDRO Cc1cc(C(=O)N(C)CC2CC[NH+](C)CC2)c(N)c([N+](=O)[O-])c1 ZINC000104901187 696621613 /nfs/dbraw/zinc/62/16/13/696621613.db2.gz KVNGEPSNFMDKFF-UHFFFAOYSA-N 1 0 320.393 1.899 20 5 DDBDRO [NH3+]C1CCC(NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000123541299 696732557 /nfs/dbraw/zinc/73/25/57/696732557.db2.gz RYBXGHKPONBVOO-UHFFFAOYSA-N 1 0 317.342 1.282 20 5 DDBDRO CC[C@@](C)(CC(=O)OC)[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000134050309 696833150 /nfs/dbraw/zinc/83/31/50/696833150.db2.gz MKLKNMUGAOHXLJ-HNNXBMFYSA-N 1 0 323.349 1.855 20 5 DDBDRO Cc1ncoc1C[N@@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000985426954 697509317 /nfs/dbraw/zinc/50/93/17/697509317.db2.gz VUIQSQLKVJHBSY-CHWSQXEVSA-N 1 0 322.365 1.071 20 5 DDBDRO Cc1nc2n(n1)C[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)CC2 ZINC000749686061 700177390 /nfs/dbraw/zinc/17/73/90/700177390.db2.gz CGYVJTRLCBTAQS-JSGCOSHPSA-N 1 0 317.349 1.133 20 5 DDBDRO Cc1nn(CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000779867138 698476301 /nfs/dbraw/zinc/47/63/01/698476301.db2.gz DRUCNQFOVCFCGZ-VNHYZAJKSA-N 1 0 323.397 1.241 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCCOCCO)CC2)cc1 ZINC000780744734 698556037 /nfs/dbraw/zinc/55/60/37/698556037.db2.gz YOFGRHSVRPYBOM-UHFFFAOYSA-N 1 0 323.393 1.552 20 5 DDBDRO C[C@H](CNC(=O)Nc1ccncc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000781456283 698621715 /nfs/dbraw/zinc/62/17/15/698621715.db2.gz WPVSQCQSLZDEPB-LLVKDONJSA-N 1 0 307.354 1.408 20 5 DDBDRO COc1ccc(OCC[N@@H+]2C[C@@H]3C[C@]3(CO)C2)c([N+](=O)[O-])c1 ZINC000782619989 698752268 /nfs/dbraw/zinc/75/22/68/698752268.db2.gz JSTZMLFAKSQFSG-XHDPSFHLSA-N 1 0 308.334 1.296 20 5 DDBDRO C[NH+](C)C[C@H](O)CNc1ncc(Br)cc1[N+](=O)[O-] ZINC000717403996 699289024 /nfs/dbraw/zinc/28/90/24/699289024.db2.gz ZDTQLSDSOSJCFZ-MRVPVSSYSA-N 1 0 319.159 1.087 20 5 DDBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC000725373551 699331579 /nfs/dbraw/zinc/33/15/79/699331579.db2.gz YRLIJOQOOMKZFQ-ZDUSSCGKSA-N 1 0 311.363 1.111 20 5 DDBDRO C[NH+](C)CCCOC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000791884435 699660478 /nfs/dbraw/zinc/66/04/78/699660478.db2.gz AWQLVUKMINNYAR-UHFFFAOYSA-N 1 0 310.306 1.281 20 5 DDBDRO CN(CCc1cccc([N+](=O)[O-])c1)C[C@@H](O)C[NH+]1CCCC1 ZINC000801601864 700326429 /nfs/dbraw/zinc/32/64/29/700326429.db2.gz PWALBBQWOLYBPM-MRXNPFEDSA-N 1 0 307.394 1.526 20 5 DDBDRO O=[N+]([O-])c1cccc([N+](=O)[O-])c1N1CCC[N@@H+](CCO)CC1 ZINC000804432237 701188745 /nfs/dbraw/zinc/18/87/45/701188745.db2.gz VZVHQHQBAMLWGS-UHFFFAOYSA-N 1 0 310.310 1.007 20 5 DDBDRO CC(C)(C(=O)O[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)n1cc([N+](=O)[O-])cn1 ZINC000810839513 701859430 /nfs/dbraw/zinc/85/94/30/701859430.db2.gz BSOLGBGUNNNJDT-DGCLKSJQSA-N 1 0 322.365 1.696 20 5 DDBDRO Nc1ccc(C(=O)O[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000810850730 701862292 /nfs/dbraw/zinc/86/22/92/701862292.db2.gz NXBIWAGIPBWRCM-NEPJUHHUSA-N 1 0 305.334 1.961 20 5 DDBDRO C[C@]([NH3+])(C(=O)NC[C@@]1(C)CC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000867984659 701874681 /nfs/dbraw/zinc/87/46/81/701874681.db2.gz MYWYKBUTQKZUJV-CHWSQXEVSA-N 1 0 313.304 1.930 20 5 DDBDRO C[C@@H]([NH2+]CCNc1cnccn1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815589222 701900209 /nfs/dbraw/zinc/90/02/09/701900209.db2.gz LUZILVATIFHIQL-SNVBAGLBSA-N 1 0 302.338 1.730 20 5 DDBDRO C[C@@H]1CN(Cn2ncc3ccc([N+](=O)[O-])cc32)C[C@H](C)[N@H+]1C ZINC000840090292 701962665 /nfs/dbraw/zinc/96/26/65/701962665.db2.gz ODXQCDOOUUBDOQ-TXEJJXNPSA-N 1 0 303.366 1.926 20 5 DDBDRO CC[C@H]1C[N@H+](C)CCN1Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000840094481 701966370 /nfs/dbraw/zinc/96/63/70/701966370.db2.gz UMOJYMTZSIKBAX-ZDUSSCGKSA-N 1 0 303.366 1.928 20 5 DDBDRO CC[N@@H+]1CCN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000868269142 702032465 /nfs/dbraw/zinc/03/24/65/702032465.db2.gz CPAIYSSDHUWKSK-NSHDSACASA-N 1 0 309.341 1.829 20 5 DDBDRO C[C@@H]([NH2+]CCS(=O)(=O)C1CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000840881571 702270440 /nfs/dbraw/zinc/27/04/40/702270440.db2.gz DSXXWHSRBRIFRV-SECBINFHSA-N 1 0 313.379 1.405 20 5 DDBDRO CN(CC[NH+]1CC2(C1)CCOCC2)c1cc(N)ccc1[N+](=O)[O-] ZINC000866257196 706659250 /nfs/dbraw/zinc/65/92/50/706659250.db2.gz GCMAGVDIASUOEE-UHFFFAOYSA-N 1 0 320.393 1.726 20 5 DDBDRO CN(CC[NH+]1CC2(C1)CCOCC2)c1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000866258256 706659562 /nfs/dbraw/zinc/65/95/62/706659562.db2.gz PLIUWYUVTGRCNA-UHFFFAOYSA-N 1 0 322.365 1.244 20 5 DDBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1CCC(=O)N(C)C1 ZINC000866268632 706661775 /nfs/dbraw/zinc/66/17/75/706661775.db2.gz AIDOQAMNLRDTLZ-GXFFZTMASA-N 1 0 309.341 1.875 20 5 DDBDRO CN(C[C@@H]1CCC[N@@H+]1C)Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000817374832 702361843 /nfs/dbraw/zinc/36/18/43/702361843.db2.gz MOSOYRLAAJPWRH-NSHDSACASA-N 1 0 320.349 1.486 20 5 DDBDRO COC[C@]1(CN[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)CCC[NH2+]1 ZINC000817973982 702540793 /nfs/dbraw/zinc/54/07/93/702540793.db2.gz HWAJKCWEQSUUAB-XHDPSFHLSA-N 1 0 308.382 1.596 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCCCCC[NH3+] ZINC000842921663 702791288 /nfs/dbraw/zinc/79/12/88/702791288.db2.gz IZOLBOJFGSYZPK-UHFFFAOYSA-N 1 0 315.395 1.701 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@@H](O)C2CCOCC2)cc1 ZINC000843082900 702815569 /nfs/dbraw/zinc/81/55/69/702815569.db2.gz LZGINFVVAUJDHZ-HUUCEWRRSA-N 1 0 310.350 1.005 20 5 DDBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CCC[NH2+]CC1 ZINC000843292691 702855404 /nfs/dbraw/zinc/85/54/04/702855404.db2.gz CRHGLVCRJOUUQM-UHFFFAOYSA-N 1 0 315.732 1.752 20 5 DDBDRO C[C@](CN)([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C1CC1 ZINC000843355745 702865436 /nfs/dbraw/zinc/86/54/36/702865436.db2.gz ISWHJNGVZYWGFX-OAHLLOKOSA-N 1 0 324.356 1.780 20 5 DDBDRO Cc1ccc([C@H](C)NC(=O)CO[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000843447213 702884504 /nfs/dbraw/zinc/88/45/04/702884504.db2.gz BLFMWJLITUOPHJ-GXTWGEPZSA-N 1 0 321.377 1.849 20 5 DDBDRO [NH3+]CCCCCCNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000843509665 702897344 /nfs/dbraw/zinc/89/73/44/702897344.db2.gz NTUUXDCHYYNFEO-UHFFFAOYSA-N 1 0 319.365 1.580 20 5 DDBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC000843893516 702939077 /nfs/dbraw/zinc/93/90/77/702939077.db2.gz OGNNCZXIKKXBTD-MFKMUULPSA-N 1 0 307.325 1.818 20 5 DDBDRO CCCN(C(=O)c1ccc(N)c([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C)C1 ZINC000843992218 702950139 /nfs/dbraw/zinc/95/01/39/702950139.db2.gz BEAPHMVULYXMGV-GFCCVEGCSA-N 1 0 306.366 1.733 20 5 DDBDRO Cc1nc([N+](=O)[O-])c(-c2noc([C@H]3CC[C@H](C4CC4)[NH2+]3)n2)n1C ZINC000844915017 703084371 /nfs/dbraw/zinc/08/43/71/703084371.db2.gz BEAKUTVJHJQWBP-NXEZZACHSA-N 1 0 318.337 1.890 20 5 DDBDRO C[C@@H]1CN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)[C@@H](C)C[NH2+]1 ZINC000831546034 706728684 /nfs/dbraw/zinc/72/86/84/706728684.db2.gz HZGXMDVFBXNDEX-MNOVXSKESA-N 1 0 317.349 1.153 20 5 DDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000848351484 703542160 /nfs/dbraw/zinc/54/21/60/703542160.db2.gz DMEYMQSLYYIMTC-CABCVRRESA-N 1 0 318.377 1.924 20 5 DDBDRO Cn1c(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)cnc1Cl ZINC000848911807 703602236 /nfs/dbraw/zinc/60/22/36/703602236.db2.gz ZNPVHMGBAYGVDP-UHFFFAOYSA-N 1 0 309.757 1.947 20 5 DDBDRO O=C1NCC[C@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000850481717 703733478 /nfs/dbraw/zinc/73/34/78/703733478.db2.gz NHACYFXRMNGPDK-CQSZACIVSA-N 1 0 304.350 1.042 20 5 DDBDRO Cc1c(C(=O)N[C@H](C[NH3+])CC(C)C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000818555056 703925073 /nfs/dbraw/zinc/92/50/73/703925073.db2.gz JKHMDMFSGOUCDE-JTQLQIEISA-N 1 0 324.337 1.915 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000866720570 706775136 /nfs/dbraw/zinc/77/51/36/706775136.db2.gz MNISNRRXUDPKFS-CHWSQXEVSA-N 1 0 318.377 1.668 20 5 DDBDRO C[C@H](COc1ccccc1)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000818965058 704036866 /nfs/dbraw/zinc/03/68/66/704036866.db2.gz CRXNBESYFHEOHR-OCCSQVGLSA-N 1 0 320.349 1.209 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)CNC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000818986353 704043916 /nfs/dbraw/zinc/04/39/16/704043916.db2.gz MDRQUWGJTPBOFQ-OWCLPIDISA-N 1 0 321.377 1.081 20 5 DDBDRO CC1(C)CN(CC[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000818991536 704045457 /nfs/dbraw/zinc/04/54/57/704045457.db2.gz GSQFIKLVIOYCQL-HNNXBMFYSA-N 1 0 323.393 1.329 20 5 DDBDRO Cn1cc(CCC[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)cn1 ZINC000819004913 704050162 /nfs/dbraw/zinc/05/01/62/704050162.db2.gz VEJLRYHQZDKEPK-OAHLLOKOSA-N 1 0 304.350 1.584 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2CCN(CC(F)F)C2)c1 ZINC000819378180 704116797 /nfs/dbraw/zinc/11/67/97/704116797.db2.gz WBOZYNSYWAOEGC-DGCLKSJQSA-N 1 0 315.320 1.557 20 5 DDBDRO O=C(CC[NH2+]CC1CC1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000870928334 704172212 /nfs/dbraw/zinc/17/22/12/704172212.db2.gz ISQCPHDFXLLPDM-UHFFFAOYSA-N 1 0 321.381 1.345 20 5 DDBDRO C[NH+](C)[C@@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000853411607 704238919 /nfs/dbraw/zinc/23/89/19/704238919.db2.gz OSRXICZUWUTYNF-CMPLNLGQSA-N 1 0 306.366 1.978 20 5 DDBDRO Cc1noc(CONC(=[NH2+])[C@H](C)OCC(C)C)c1[N+](=O)[O-] ZINC000853675652 704297552 /nfs/dbraw/zinc/29/75/52/704297552.db2.gz ZBWRYPOUOWERGS-VIFPVBQESA-N 1 0 300.315 1.951 20 5 DDBDRO Cc1nc([N+](=O)[O-])c(-c2noc(C[C@@H](C[NH3+])CC(C)C)n2)n1C ZINC000854153063 704363148 /nfs/dbraw/zinc/36/31/48/704363148.db2.gz DZIQBPPZSDWFBC-JTQLQIEISA-N 1 0 322.369 1.850 20 5 DDBDRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000855163130 704471662 /nfs/dbraw/zinc/47/16/62/704471662.db2.gz SYCVAGYSIKKEFR-KBPBESRZSA-N 1 0 321.377 1.617 20 5 DDBDRO C[C@H](CCNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1)[NH+](C)C ZINC000855414627 704484320 /nfs/dbraw/zinc/48/43/20/704484320.db2.gz AHKNDTBVILSUMC-MRVPVSSYSA-N 1 0 323.378 1.670 20 5 DDBDRO C[C@H]([NH3+])[C@H](C)NC(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857766722 704622536 /nfs/dbraw/zinc/62/25/36/704622536.db2.gz VPIBMWWKKCINPF-YUMQZZPRSA-N 1 0 303.265 1.418 20 5 DDBDRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857766964 704622734 /nfs/dbraw/zinc/62/27/34/704622734.db2.gz ZIHPACWZPQMXOJ-KWQFWETISA-N 1 0 315.276 1.515 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(Cc2noc(C[C@@H]3CC[NH2+]C3)n2)c1 ZINC000823088593 705136261 /nfs/dbraw/zinc/13/62/61/705136261.db2.gz LZMCLYUBIMALDT-JTQLQIEISA-N 1 0 318.333 1.729 20 5 DDBDRO COc1cccc(C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)c1[N+](=O)[O-] ZINC000874827845 705186165 /nfs/dbraw/zinc/18/61/65/705186165.db2.gz DULZTCRMSKXMSF-OLZOCXBDSA-N 1 0 319.361 1.912 20 5 DDBDRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000874845933 705200177 /nfs/dbraw/zinc/20/01/77/705200177.db2.gz YUROPSXLQFQSHA-LSDHHAIUSA-N 1 0 319.361 1.669 20 5 DDBDRO C[NH+](C)C[C@@H]1CCc2ccccc2N1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000823904898 705337495 /nfs/dbraw/zinc/33/74/95/705337495.db2.gz BRWSGIMSXZOLNN-GZBFAFLISA-N 1 0 303.362 1.561 20 5 DDBDRO CCN(C(=O)Nc1ccc(N)c([N+](=O)[O-])c1)[C@H]1CC[N@H+](C)C1 ZINC000823920841 705340136 /nfs/dbraw/zinc/34/01/36/705340136.db2.gz FKVXQOOPXLXMJN-NSHDSACASA-N 1 0 307.354 1.735 20 5 DDBDRO C[C@@H]([NH2+]CCN1C[C@H]2CC[C@@H](C1)O2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834888170 707145802 /nfs/dbraw/zinc/14/58/02/707145802.db2.gz NEBMZBQXJJBSCT-BNOWGMLFSA-N 1 0 320.393 1.691 20 5 DDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000825207811 705624903 /nfs/dbraw/zinc/62/49/03/705624903.db2.gz NSZZDPLHVGYJKS-VIFPVBQESA-N 1 0 306.244 1.187 20 5 DDBDRO COCCN1CCC([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000876986766 705949485 /nfs/dbraw/zinc/94/94/85/705949485.db2.gz KLZBLWWVKZDCID-UHFFFAOYSA-N 1 0 323.397 1.195 20 5 DDBDRO CCOc1ccc(NC(=O)CN(C)C[C@@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000863565641 705959283 /nfs/dbraw/zinc/95/92/83/705959283.db2.gz PPXNVKPZWHJZKT-SNVBAGLBSA-N 1 0 310.354 1.211 20 5 DDBDRO COCCCN(C)CC[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877071879 705976639 /nfs/dbraw/zinc/97/66/39/705976639.db2.gz UEFOUNVGJUBLHU-UHFFFAOYSA-N 1 0 311.386 1.053 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000827363736 705985556 /nfs/dbraw/zinc/98/55/56/705985556.db2.gz CABPIJKYHGOBSC-SMDDNHRTSA-N 1 0 319.361 1.770 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3ccccc3[N+](=O)[O-])CC[C@H]21 ZINC000827374743 705988955 /nfs/dbraw/zinc/98/89/55/705988955.db2.gz PPCLBPGGUZHLBR-ZIAGYGMSSA-N 1 0 303.362 1.690 20 5 DDBDRO Cc1cnc(CC[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)cn1 ZINC000877578118 706147814 /nfs/dbraw/zinc/14/78/14/706147814.db2.gz VHIRZFWSHYDTJK-UHFFFAOYSA-N 1 0 302.338 1.426 20 5 DDBDRO C[NH+](C)C1CCN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])CC1 ZINC000865622136 706480178 /nfs/dbraw/zinc/48/01/78/706480178.db2.gz MTKSBZZYZQTQQP-UHFFFAOYSA-N 1 0 309.341 1.829 20 5 DDBDRO C[NH+](C)C[C@@]1(O)CCCN(Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000878865245 706519200 /nfs/dbraw/zinc/51/92/00/706519200.db2.gz FWKMDNXNHUPNOO-HNNXBMFYSA-N 1 0 311.357 1.622 20 5 DDBDRO [NH3+]CC1CCN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000832311362 706889042 /nfs/dbraw/zinc/88/90/42/706889042.db2.gz DIPFHGSSIJVQLK-UHFFFAOYSA-N 1 0 317.349 1.142 20 5 DDBDRO O=C1NCC[C@H]2CCC[N@@H+](CCc3ccc([N+](=O)[O-])cc3)[C@@H]12 ZINC000880529346 707005634 /nfs/dbraw/zinc/00/56/34/707005634.db2.gz KXXXSLPMKUJTRF-UKRRQHHQSA-N 1 0 303.362 1.738 20 5 DDBDRO C[C@]12C[NH2+]C[C@H]1CN(Cc1nc3cc([N+](=O)[O-])ccc3o1)C2 ZINC000872153602 707306728 /nfs/dbraw/zinc/30/67/28/707306728.db2.gz MCXKZLNICSSMBS-ZUZCIYMTSA-N 1 0 302.334 1.777 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)NCC[NH+](C)C ZINC000881732461 707341867 /nfs/dbraw/zinc/34/18/67/707341867.db2.gz JJOCGQSWWHYHIB-UHFFFAOYSA-N 1 0 321.786 1.397 20 5 DDBDRO Cc1nn(CCC(=O)N2CC[NH2+]CCC2(C)C)c(C)c1[N+](=O)[O-] ZINC000872294562 707369162 /nfs/dbraw/zinc/36/91/62/707369162.db2.gz RJAMZFYMZVELSQ-UHFFFAOYSA-N 1 0 323.397 1.399 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@]23CCC[C@H]2OCC3)c1 ZINC000872310333 707375289 /nfs/dbraw/zinc/37/52/89/707375289.db2.gz WVEZOAUOVXMFAI-BMFZPTHFSA-N 1 0 322.361 1.636 20 5 DDBDRO CC1(C)CCC[N@@H+]1CCNC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000837174567 707591425 /nfs/dbraw/zinc/59/14/25/707591425.db2.gz GURCFTUQXLDZOD-UHFFFAOYSA-N 1 0 306.366 1.781 20 5 DDBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000882483096 707653363 /nfs/dbraw/zinc/65/33/63/707653363.db2.gz QUHQNFUGDKADNU-OAHLLOKOSA-N 1 0 320.393 1.997 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC(C)([NH+]2CCC2)CC1 ZINC000882502871 707669906 /nfs/dbraw/zinc/66/99/06/707669906.db2.gz LQSUDTIZWBYYQI-UHFFFAOYSA-N 1 0 321.381 1.187 20 5 DDBDRO CC(=O)N1CCN(CC[NH2+]Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000873011903 707694150 /nfs/dbraw/zinc/69/41/50/707694150.db2.gz KDHCWEMBEYBFHF-UHFFFAOYSA-N 1 0 320.393 1.157 20 5 DDBDRO CC(C)[N@@H+]1CCCC[C@@H]1COC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000837613340 707695491 /nfs/dbraw/zinc/69/54/91/707695491.db2.gz UFMKNMFONYSEES-LLVKDONJSA-N 1 0 322.365 1.992 20 5 DDBDRO Cc1c(C[NH2+]CC2(OCCO)CCOCC2)cccc1[N+](=O)[O-] ZINC000873120898 707738802 /nfs/dbraw/zinc/73/88/02/707738802.db2.gz AEXSTYNVPZCHNP-UHFFFAOYSA-N 1 0 324.377 1.551 20 5 DDBDRO Cc1c(C[NH2+][C@H](C)C2(S(C)(=O)=O)CC2)cccc1[N+](=O)[O-] ZINC000873124177 707740897 /nfs/dbraw/zinc/74/08/97/707740897.db2.gz CSNOKJLTGJBXDF-LLVKDONJSA-N 1 0 312.391 1.959 20 5 DDBDRO CCN1CC[C@@H]1C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000883355532 707983337 /nfs/dbraw/zinc/98/33/37/707983337.db2.gz TWONXHVXXAQFIN-MCIONIFRSA-N 1 0 307.398 1.959 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C2(CO)CCSCC2)c1 ZINC000839179650 708033897 /nfs/dbraw/zinc/03/38/97/708033897.db2.gz NSVCBSSZIUGOGI-CYBMUJFWSA-N 1 0 312.391 1.476 20 5 DDBDRO C[N@@H+]1C[C@@H]2CN(c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000896913087 708180964 /nfs/dbraw/zinc/18/09/64/708180964.db2.gz MPTDFNZXCMFZIU-YGRLFVJLSA-N 1 0 306.322 1.891 20 5 DDBDRO COc1cc(C[NH2+]CC[C@H](O)C2CC2)c([N+](=O)[O-])cc1OC ZINC000898206131 708572608 /nfs/dbraw/zinc/57/26/08/708572608.db2.gz LWOXHKLADHINFP-ZDUSSCGKSA-N 1 0 310.350 1.863 20 5 DDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@H]3Cc4ccccc4[C@@H]3O)C2)c1 ZINC000898386453 708629105 /nfs/dbraw/zinc/62/91/05/708629105.db2.gz ZGLSTVGMKSJRSL-INCPQMAJSA-N 1 0 314.345 1.743 20 5 DDBDRO O=[N+]([O-])c1ncccc1CN1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000885985949 708676489 /nfs/dbraw/zinc/67/64/89/708676489.db2.gz VJCDJOWUYUPUFX-KGLIPLIRSA-N 1 0 306.366 1.021 20 5 DDBDRO Cn1c(C(=O)N[C@H]2C[C@@H]([NH+](C)C)C23CCC3)ccc1[N+](=O)[O-] ZINC000898843782 708887340 /nfs/dbraw/zinc/88/73/40/708887340.db2.gz AWEVDMMZXFCKIT-NWDGAFQWSA-N 1 0 306.366 1.536 20 5 DDBDRO C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)c1ccccc1[N+](=O)[O-] ZINC000887399388 709036703 /nfs/dbraw/zinc/03/67/03/709036703.db2.gz UIGZDDYTXIDVFE-LBPRGKRZSA-N 1 0 303.362 1.910 20 5 DDBDRO C[C@@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000912809658 713098300 /nfs/dbraw/zinc/09/83/00/713098300.db2.gz JVDYPLDOJAOQQZ-WDEREUQCSA-N 1 0 309.370 1.510 20 5 DDBDRO Cc1cc(C(=O)N2CCC([NH+]3CCC3)CC2)c(N)c([N+](=O)[O-])c1 ZINC000912878243 713113270 /nfs/dbraw/zinc/11/32/70/713113270.db2.gz OBJSDHXTAGNZTE-UHFFFAOYSA-N 1 0 318.377 1.796 20 5 DDBDRO CC[N@@H+]1CCCN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000910269079 709853167 /nfs/dbraw/zinc/85/31/67/709853167.db2.gz DSOGJLVYQBLFKU-IUODEOHRSA-N 1 0 321.377 1.571 20 5 DDBDRO CC[N@@H+]1CCCN(C(=O)COc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000910296269 709873757 /nfs/dbraw/zinc/87/37/57/709873757.db2.gz UIZVOGHYMIOHEM-CYBMUJFWSA-N 1 0 321.377 1.916 20 5 DDBDRO CNc1nccc(C(=O)N(C)CC(C)(C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000890880556 710019458 /nfs/dbraw/zinc/01/94/58/710019458.db2.gz BMAUSGKXYWUDDZ-UHFFFAOYSA-N 1 0 323.397 1.691 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1OC(=O)COC1CC[NH+](C)CC1 ZINC000901471036 710049264 /nfs/dbraw/zinc/04/92/64/710049264.db2.gz IQMINNKDDMGMAM-UHFFFAOYSA-N 1 0 324.333 1.620 20 5 DDBDRO C[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000913095970 713161810 /nfs/dbraw/zinc/16/18/10/713161810.db2.gz ACVRCHDLJXGUKT-DRPJVOAASA-N 1 0 317.389 1.678 20 5 DDBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000891722565 710275539 /nfs/dbraw/zinc/27/55/39/710275539.db2.gz FWTLZLRJXKQVJJ-CABCVRRESA-N 1 0 318.377 1.673 20 5 DDBDRO C[N@@H+]1C[C@@H]2CN(C(=O)NCc3cccc([N+](=O)[O-])c3)C[C@]2(C)C1 ZINC000892418066 710433986 /nfs/dbraw/zinc/43/39/86/710433986.db2.gz MNDITPFHSKRXML-CJNGLKHVSA-N 1 0 318.377 1.688 20 5 DDBDRO COc1c(O)ccc(C[NH2+][C@H]2CN(C3CC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000893133766 710559752 /nfs/dbraw/zinc/55/97/52/710559752.db2.gz COJGWQMCISCXIG-GWCFXTLKSA-N 1 0 321.377 1.881 20 5 DDBDRO CS[C@@H]1CN(c2c([N+](=O)[O-])cnn2C)C[C@@H]1[NH+]1CCCC1 ZINC000893248865 710579407 /nfs/dbraw/zinc/57/94/07/710579407.db2.gz PYHLFTOZPVHTEE-NWDGAFQWSA-N 1 0 311.411 1.344 20 5 DDBDRO C[N@@H+]1C[C@H]2CCN(C(=O)NCCc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000893266684 710583134 /nfs/dbraw/zinc/58/31/34/710583134.db2.gz SQKMOQGANXGWNB-HIFRSBDPSA-N 1 0 318.377 1.483 20 5 DDBDRO CC(C)Oc1nc(N2CC[C@H]3C[N@H+](C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000893933531 710891538 /nfs/dbraw/zinc/89/15/38/710891538.db2.gz AQNYLQMMVITDOE-AAEUAGOBSA-N 1 0 306.366 1.917 20 5 DDBDRO C[C@@H]1[C@H]([NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CCN1C ZINC000903300628 711093936 /nfs/dbraw/zinc/09/39/36/711093936.db2.gz JUWNGXCAMKGTFO-MQYQWHSLSA-N 1 0 307.398 1.957 20 5 DDBDRO O=C(CCN[C@H]1CC[NH2+]C12CCC2)Nc1ccccc1[N+](=O)[O-] ZINC000903469042 711136183 /nfs/dbraw/zinc/13/61/83/711136183.db2.gz PQINUCUNWJRPRX-AWEZNQCLSA-N 1 0 318.377 1.798 20 5 DDBDRO [NH3+][C@@H]1CN(CCOc2cccc([N+](=O)[O-])c2)C[C@H]1C(F)(F)F ZINC000903517351 711163956 /nfs/dbraw/zinc/16/39/56/711163956.db2.gz GMIYSUKLJSGXCX-VXGBXAGGSA-N 1 0 319.283 1.795 20 5 DDBDRO C[NH2+]CCN(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000903572400 711202526 /nfs/dbraw/zinc/20/25/26/711202526.db2.gz NZWDGEDIZORTEU-UHFFFAOYSA-N 1 0 308.382 1.487 20 5 DDBDRO C[N@@H+]1CCCC[C@@H]1CNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000912237608 711238043 /nfs/dbraw/zinc/23/80/43/711238043.db2.gz LYDOVHZBXBCKGQ-OAHLLOKOSA-N 1 0 320.393 1.921 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCN(C[C@@H]3CCCC[NH2+]C3)CC2)cn1 ZINC000903723272 711255212 /nfs/dbraw/zinc/25/52/12/711255212.db2.gz GWODTVUCMNKEIB-CQSZACIVSA-N 1 0 319.409 1.502 20 5 DDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1C[C@]2(C)C[N@H+](C)C[C@]2(C)C1 ZINC000894799777 711275724 /nfs/dbraw/zinc/27/57/24/711275724.db2.gz ALQNFBSKHVKVPM-GASCZTMLSA-N 1 0 307.398 1.898 20 5 DDBDRO CC(=O)c1ccc(N2CC[C@](O)(C[NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000895009070 711364874 /nfs/dbraw/zinc/36/48/74/711364874.db2.gz OZAVZUMDANKPLW-HNNXBMFYSA-N 1 0 307.350 1.300 20 5 DDBDRO Cc1cc(NC[C@@H]2CC[N@@H+]2C2CCOCC2)ncc1[N+](=O)[O-] ZINC000896521709 711737610 /nfs/dbraw/zinc/73/76/10/711737610.db2.gz LDTTUFGCXZSMSC-ZDUSSCGKSA-N 1 0 306.366 1.963 20 5 DDBDRO Cc1cc(C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCN2C)ccc1[N+](=O)[O-] ZINC000896579331 711757781 /nfs/dbraw/zinc/75/77/81/711757781.db2.gz FQBXIXPPYJPYNC-DOMZBBRYSA-N 1 0 320.393 1.267 20 5 DDBDRO COc1cc(C(=O)NC23CC[NH+](CC2)C3)c([N+](=O)[O-])cc1F ZINC000913635052 713273615 /nfs/dbraw/zinc/27/36/15/713273615.db2.gz OIDWETQCQLOWIN-UHFFFAOYSA-N 1 0 309.297 1.321 20 5 DDBDRO C[C@@H](C[NH2+]C[C@@H](O)Cn1cccn1)c1ccccc1[N+](=O)[O-] ZINC000905643421 712105085 /nfs/dbraw/zinc/10/50/85/712105085.db2.gz LUNUJHHLGGLWIK-QWHCGFSZSA-N 1 0 304.350 1.546 20 5 DDBDRO C[C@H]1CCN(Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)CCO1 ZINC000905741622 712136191 /nfs/dbraw/zinc/13/61/91/712136191.db2.gz XVKMSUJHHQVCMG-LBPRGKRZSA-N 1 0 317.349 1.922 20 5 DDBDRO Cc1c(CNC(=O)C2CN(C)CC[N@H+](C)C2)cccc1[N+](=O)[O-] ZINC000907695867 712615176 /nfs/dbraw/zinc/61/51/76/712615176.db2.gz RPYVEQRMHPMVFU-UHFFFAOYSA-N 1 0 320.393 1.013 20 5 DDBDRO CC[NH+](CC)CCOC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000917106891 713482788 /nfs/dbraw/zinc/48/27/88/713482788.db2.gz KGZPOAAPPJDHNL-UHFFFAOYSA-N 1 0 324.333 1.865 20 5 DDBDRO C[C@H]1[C@@H](NC(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000917789286 713514037 /nfs/dbraw/zinc/51/40/37/713514037.db2.gz MLOUYNZUJNVMGO-FZMZJTMJSA-N 1 0 322.365 1.365 20 5 DDBDRO C[NH+]1CCC(NC(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC000929435159 713609633 /nfs/dbraw/zinc/60/96/33/713609633.db2.gz BHWPERJRJJPBON-GJZGRUSLSA-N 1 0 303.362 1.909 20 5 DDBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)[NH+]1CCCCC1 ZINC000920457580 713671338 /nfs/dbraw/zinc/67/13/38/713671338.db2.gz AICZSHNBWSWQBL-JTQLQIEISA-N 1 0 308.338 1.300 20 5 DDBDRO COC(=O)c1ccc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)c(F)c1 ZINC000921862874 713889429 /nfs/dbraw/zinc/88/94/29/713889429.db2.gz QXLNSYVVRNEYBB-UHFFFAOYSA-N 1 0 322.296 1.507 20 5 DDBDRO C[C@H]1[C@H]([NH+](C)C)CCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000931046196 713989988 /nfs/dbraw/zinc/98/99/88/713989988.db2.gz SPPLQYAHOMAXDC-GXFFZTMASA-N 1 0 306.366 1.218 20 5 DDBDRO CC(C)[N@H+](C)Cc1cc(O[C@H]2CCN(CC[N+](=O)[O-])C2)ccn1 ZINC000931095724 714000182 /nfs/dbraw/zinc/00/01/82/714000182.db2.gz ZIPZVSWCJNWQLT-INIZCTEOSA-N 1 0 322.409 1.652 20 5 DDBDRO C[NH+](C)[C@@H]1[C@H]2CN(CC(=O)Nc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000931281808 714056102 /nfs/dbraw/zinc/05/61/02/714056102.db2.gz YZWJKXANNWSCHI-HBYGRHMLSA-N 1 0 304.350 1.025 20 5 DDBDRO Cc1noc(CN2CC[NH+](CCCCCO)CC2)c1[N+](=O)[O-] ZINC000931492867 714111122 /nfs/dbraw/zinc/11/11/22/714111122.db2.gz PLPJQEFJRJAVHH-UHFFFAOYSA-N 1 0 312.370 1.171 20 5 DDBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@H]2CCN2C2CCOCC2)c1 ZINC000922951626 714196237 /nfs/dbraw/zinc/19/62/37/714196237.db2.gz PYPULANVHDVEGZ-MRXNPFEDSA-N 1 0 305.378 1.938 20 5 DDBDRO Cn1nnc2c1C[C@@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])CC2 ZINC000922993529 714206760 /nfs/dbraw/zinc/20/67/60/714206760.db2.gz LRGJTHBAJXAKAR-BPJJOFIESA-N 1 0 313.361 1.884 20 5 DDBDRO C[NH2+]C[C@H]1CCCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000923282766 714297029 /nfs/dbraw/zinc/29/70/29/714297029.db2.gz QDOUDZIFZOLSPF-ZIAGYGMSSA-N 1 0 323.393 1.266 20 5 DDBDRO C[NH2+][C@@H]1CCCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000923284307 714297292 /nfs/dbraw/zinc/29/72/92/714297292.db2.gz LPKMIQAESRSSKO-CHWSQXEVSA-N 1 0 309.366 1.018 20 5 DDBDRO C[NH2+]C[C@@H]1CCCCN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000923430133 714353558 /nfs/dbraw/zinc/35/35/58/714353558.db2.gz IVDHQPOUDKHUFI-UONOGXRCSA-N 1 0 323.393 1.408 20 5 DDBDRO C[C@H]1C[N@H+](CC[N+](=O)[O-])CC[C@H]1CNC(=O)OC(C)(C)C ZINC000932710162 714394992 /nfs/dbraw/zinc/39/49/92/714394992.db2.gz LFXLZLXKEMBGPC-RYUDHWBXSA-N 1 0 301.387 1.746 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000933438650 714589272 /nfs/dbraw/zinc/58/92/72/714589272.db2.gz BGSBDSMFPFMONP-ZYHUDNBSSA-N 1 0 309.370 1.041 20 5 DDBDRO Cc1cc(Cl)nc(N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)c1[N+](=O)[O-] ZINC001164665841 719384900 /nfs/dbraw/zinc/38/49/00/719384900.db2.gz IWTBKWUDDFDAPD-VHSXEESVSA-N 1 0 312.757 1.471 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)nc1Cl ZINC001164664946 719385304 /nfs/dbraw/zinc/38/53/04/719385304.db2.gz DAHCHOGOLPNYCK-WDEREUQCSA-N 1 0 312.757 1.471 20 5 DDBDRO COC(=O)c1ccnc(N2CCC[C@@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000590575491 721892324 /nfs/dbraw/zinc/89/23/24/721892324.db2.gz HXOCVMFSOXWITE-SNVBAGLBSA-N 1 0 308.338 1.307 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@H](NC(=O)C2(C)CCC2)C1 ZINC001020474599 732410869 /nfs/dbraw/zinc/41/08/69/732410869.db2.gz BUJNZYCMCVDLCV-XYPYZODXSA-N 1 0 321.381 1.255 20 5 DDBDRO [NH3+]CCc1ccn(-c2ncc([N+](=O)[O-])cc2C(F)(F)F)n1 ZINC001167730332 737199289 /nfs/dbraw/zinc/19/92/89/737199289.db2.gz GOFPUAWPWQKHII-UHFFFAOYSA-N 1 0 301.228 1.696 20 5 DDBDRO O=c1[nH]ccc(N2CC[NH2+][C@@H](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC001187431271 744567675 /nfs/dbraw/zinc/56/76/75/744567675.db2.gz YRXVFYOONQJKDF-ZDUSSCGKSA-N 1 0 314.345 1.716 20 5 DDBDRO CC[C@@H]([NH2+]C[C@@H](O)C[C@]1(O)CCOC1)c1cccc([N+](=O)[O-])c1 ZINC001192814705 745902908 /nfs/dbraw/zinc/90/29/08/745902908.db2.gz YBNVOWIYDOUCGU-ARFHVFGLSA-N 1 0 324.377 1.538 20 5 DDBDRO CCc1ocnc1C(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001125108552 748865818 /nfs/dbraw/zinc/86/58/18/748865818.db2.gz DQOBPBUEBCQXRH-UHFFFAOYSA-N 1 0 318.333 1.665 20 5 DDBDRO CCOC(=O)c1cccc([N+](=O)[O-])c1-n1cc(CC[NH3+])cn1 ZINC001168950502 762139441 /nfs/dbraw/zinc/13/94/41/762139441.db2.gz YCPOHCALTVUXSV-UHFFFAOYSA-N 1 0 304.306 1.458 20 5 DDBDRO [NH3+]CCc1cnn(-c2nccc(Br)c2[N+](=O)[O-])c1 ZINC001168953376 762142348 /nfs/dbraw/zinc/14/23/48/762142348.db2.gz ZZZHQDVXPMQUFW-UHFFFAOYSA-N 1 0 312.127 1.439 20 5 DDBDRO O=C(C[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)N1CCc2ccccc21 ZINC001168967686 762158173 /nfs/dbraw/zinc/15/81/73/762158173.db2.gz SLKSJYKHSJPRRD-JSGCOSHPSA-N 1 0 303.362 1.611 20 5 DDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2cn(Cc3ccncc3)cn2)C1 ZINC001168997153 762169563 /nfs/dbraw/zinc/16/95/63/762169563.db2.gz BTWBTNVRFDBJCG-GJZGRUSLSA-N 1 0 315.377 1.861 20 5 DDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2cn(Cc3ccncc3)cn2)C1 ZINC001168997159 762169734 /nfs/dbraw/zinc/16/97/34/762169734.db2.gz BTWBTNVRFDBJCG-LSDHHAIUSA-N 1 0 315.377 1.861 20 5 DDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2cccc(OC3COC3)n2)C1 ZINC001169000597 762172092 /nfs/dbraw/zinc/17/20/92/762172092.db2.gz XXNFNRXTNYVFBG-NWDGAFQWSA-N 1 0 307.350 1.394 20 5 DDBDRO O=C(N1CCC([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1)C(F)(F)F ZINC001169001638 762173097 /nfs/dbraw/zinc/17/30/97/762173097.db2.gz HDCOZBYNJBMLSJ-MWLCHTKSSA-N 1 0 323.315 1.575 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C[C@]2(O)CCOc3ccccc32)C1 ZINC001168986826 762179392 /nfs/dbraw/zinc/17/93/92/762179392.db2.gz ZUJZGKKECMNNDA-DVOMOZLQSA-N 1 0 306.362 1.692 20 5 DDBDRO O=C(C1CCC1)N1CCC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169028398 762185798 /nfs/dbraw/zinc/18/57/98/762185798.db2.gz RXQPQMCMDXHHPY-DZGCQCFKSA-N 1 0 309.410 1.766 20 5 DDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CCN(c3cccc(O)c3)CC2)C1 ZINC001169035862 762191812 /nfs/dbraw/zinc/19/18/12/762191812.db2.gz DMWYNGJJMXISHV-ZFWWWQNUSA-N 1 0 305.378 1.960 20 5 DDBDRO CCOC[C@@H]1CN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)Cc2ncn(C)c21 ZINC001169017579 762197685 /nfs/dbraw/zinc/19/76/85/762197685.db2.gz AQTYZTMBLRVMQE-HZSPNIEDSA-N 1 0 322.409 1.801 20 5 DDBDRO CCOC(=O)C1(Nc2cc(C)c([N+](=O)[O-])cn2)CC[NH+](C)CC1 ZINC001169491889 762480292 /nfs/dbraw/zinc/48/02/92/762480292.db2.gz MIDHSGSDXZYPIZ-UHFFFAOYSA-N 1 0 322.365 1.738 20 5 DDBDRO COC(=O)c1ncc([N+](=O)[O-])cc1NC(C)(C)CC[NH+](C)C ZINC001169718167 762622301 /nfs/dbraw/zinc/62/23/01/762622301.db2.gz SCVAWPHZKQZZAA-UHFFFAOYSA-N 1 0 310.354 1.919 20 5 DDBDRO C[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)[C@H]1C[N@H+](C)CCN1C ZINC000823784948 758361272 /nfs/dbraw/zinc/36/12/72/758361272.db2.gz UIEZYFQHNVDZSL-IINYFYTJSA-N 1 0 324.356 1.098 20 5 DDBDRO Cc1cc(OCC(=O)N2CC[C@@H]([NH+]3CCC3)C2)ccc1[N+](=O)[O-] ZINC000827904688 759416003 /nfs/dbraw/zinc/41/60/03/759416003.db2.gz GGAIHMMYLXBMAL-CYBMUJFWSA-N 1 0 319.361 1.589 20 5 DDBDRO Cc1ccc(C(=O)N(CCO)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000828754085 759778725 /nfs/dbraw/zinc/77/87/25/759778725.db2.gz ZMAXLSCXIGNNLF-UHFFFAOYSA-N 1 0 321.377 1.432 20 5 DDBDRO Cc1cc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c(C)s1 ZINC001020140435 760614967 /nfs/dbraw/zinc/61/49/67/760614967.db2.gz HJMPVZHFRMERQI-AAVRWANBSA-N 1 0 323.418 1.767 20 5 DDBDRO C[C@@H](Nc1ccnc2c1cccc2[N+](=O)[O-])[C@@H]1C[NH2+]CCO1 ZINC001170566452 768172212 /nfs/dbraw/zinc/17/22/12/768172212.db2.gz ANTHGHFSAJIDBD-YGRLFVJLSA-N 1 0 302.334 1.932 20 5 DDBDRO COC(=O)[C@@H]1C[C@H]1C[NH2+][C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170317262 766247405 /nfs/dbraw/zinc/24/74/05/766247405.db2.gz DHSUBZXYWYFOGI-VHRBIJSZSA-N 1 0 322.361 1.933 20 5 DDBDRO O=C(Cc1cncs1)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001129969762 767084033 /nfs/dbraw/zinc/08/40/33/767084033.db2.gz KAASTCRNYWZPMM-UHFFFAOYSA-N 1 0 320.374 1.500 20 5 DDBDRO O=[N+]([O-])c1cc(N[C@H]2C[NH2+]C[C@@H]2CO)ccc1OC(F)(F)F ZINC001170781364 771250551 /nfs/dbraw/zinc/25/05/51/771250551.db2.gz QWZUXOBUQCWXAF-APPZFPTMSA-N 1 0 321.255 1.486 20 5 DDBDRO O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1nccs1 ZINC001135656848 771632476 /nfs/dbraw/zinc/63/24/76/771632476.db2.gz VVGZPSQHSADXCB-UHFFFAOYSA-N 1 0 312.376 1.632 20 5 DDBDRO COc1cnc(N[C@@H]2CC[NH2+]C[C@@H]2C(F)(F)F)c([N+](=O)[O-])c1 ZINC001160743756 772693273 /nfs/dbraw/zinc/69/32/73/772693273.db2.gz YBXXXIWUMBSQRZ-DTWKUNHWSA-N 1 0 320.271 1.951 20 5 DDBDRO CC[NH+](CC)CC(=O)NCCNc1cccc(F)c1[N+](=O)[O-] ZINC001093646751 774947593 /nfs/dbraw/zinc/94/75/93/774947593.db2.gz IYZZKTWXNOESMF-UHFFFAOYSA-N 1 0 312.345 1.604 20 5 DDBDRO CC(C)[N@H+](C)CC(=O)NCCNc1cccc(F)c1[N+](=O)[O-] ZINC001093673958 774987850 /nfs/dbraw/zinc/98/78/50/774987850.db2.gz FRESNCSMDYLTLB-UHFFFAOYSA-N 1 0 312.345 1.602 20 5 DDBDRO CCC[N@H+](C)CC(=O)NCCNc1ccc([N+](=O)[O-])c(C)n1 ZINC001093788300 775079758 /nfs/dbraw/zinc/07/97/58/775079758.db2.gz XVAUONSLKFTMQG-UHFFFAOYSA-N 1 0 309.370 1.168 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]C1(CO)CCOCC1)CC2 ZINC001172898975 776913964 /nfs/dbraw/zinc/91/39/64/776913964.db2.gz KBIKWXDJNZXZGX-OAHLLOKOSA-N 1 0 320.389 1.973 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+][C@H]1C=CS(=O)(=O)C1)CC2 ZINC001172899736 776915204 /nfs/dbraw/zinc/91/52/04/776915204.db2.gz PCUYOEZYKVUONR-KBPBESRZSA-N 1 0 322.386 1.743 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@@H]2COC[C@H]2O)c1F ZINC001173175049 777034654 /nfs/dbraw/zinc/03/46/54/777034654.db2.gz JQSQFKOVFATEHL-HLUHBDAQSA-N 1 0 314.313 1.023 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@@H]2CNC(=O)C2)c1F ZINC001173181456 777035400 /nfs/dbraw/zinc/03/54/00/777035400.db2.gz WNERCXYGXCGZHM-BDAKNGLRSA-N 1 0 311.313 1.152 20 5 DDBDRO Cc1nc(=N)n([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)cc1C[NH3+] ZINC001173230686 777063799 /nfs/dbraw/zinc/06/37/99/777063799.db2.gz UIZLCHPBNKJVNC-JTQLQIEISA-N 1 0 301.350 1.842 20 5 DDBDRO CN(CCNc1ccc([N+](=O)[O-])cn1)C(=O)C1CC[NH+](C)CC1 ZINC001101672064 777374573 /nfs/dbraw/zinc/37/45/73/777374573.db2.gz TVBFBEJGKCWKIS-UHFFFAOYSA-N 1 0 321.381 1.202 20 5 DDBDRO Cc1ccnc(NCCN(C)C(=O)CCC[NH+](C)C)c1[N+](=O)[O-] ZINC001101939034 777701920 /nfs/dbraw/zinc/70/19/20/777701920.db2.gz OHSHBVKKCIJOBN-UHFFFAOYSA-N 1 0 323.397 1.510 20 5 DDBDRO C[C@H](C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)n1ccnc1 ZINC001116791171 780558900 /nfs/dbraw/zinc/55/89/00/780558900.db2.gz VWUQWCFSXZBHER-SECBINFHSA-N 1 0 314.305 1.545 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001118087476 781022423 /nfs/dbraw/zinc/02/24/23/781022423.db2.gz ABOKHWMVJZZAAQ-SFTQSGBHSA-N 1 0 308.334 1.244 20 5 DDBDRO CC(=O)CCCC(=O)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001154575594 861233616 /nfs/dbraw/zinc/23/36/16/861233616.db2.gz OULNMXPKURACSK-UHFFFAOYSA-N 1 0 321.377 1.950 20 5 DDBDRO C[NH+](C)CC[C@@H]1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC001154643822 861313415 /nfs/dbraw/zinc/31/34/15/861313415.db2.gz MWGQSXFRDPOFKD-LLVKDONJSA-N 1 0 306.366 1.591 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H]2C[C@H]([NH+](C)C)C23CCC3)n1 ZINC001149204869 861486118 /nfs/dbraw/zinc/48/61/18/861486118.db2.gz IWIRVLJZSYVQLS-KGLIPLIRSA-N 1 0 318.377 1.901 20 5 DDBDRO CSc1nc(Cl)c([N+](=O)[O-])c(NC[C@@H]2C[C@H](F)C[NH2+]2)n1 ZINC001155031125 861663295 /nfs/dbraw/zinc/66/32/95/861663295.db2.gz SHDORMSHKIGLLO-WDSKDSINSA-N 1 0 321.765 1.872 20 5 DDBDRO CC(C)(Nc1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-])C1CC1 ZINC001155067634 861699571 /nfs/dbraw/zinc/69/95/71/861699571.db2.gz XSLOQRAAZHWNMW-UHFFFAOYSA-N 1 0 306.370 1.395 20 5 DDBDRO COc1nc(C)c([N+](=O)[O-])c(N2C[C@H]([NH3+])Cc3ccccc32)n1 ZINC001155300604 861947127 /nfs/dbraw/zinc/94/71/27/861947127.db2.gz VKKOTVBYXZHWJG-LLVKDONJSA-N 1 0 315.333 1.723 20 5 DDBDRO CCOc1nc(N[C@@H]2COCCC23C[NH2+]C3)ccc1[N+](=O)[O-] ZINC001155467374 862117893 /nfs/dbraw/zinc/11/78/93/862117893.db2.gz FRWVTXHJZPKSQQ-LLVKDONJSA-N 1 0 308.338 1.179 20 5 DDBDRO O=[N+]([O-])c1cc(Cl)nc(NCc2noc3c2C[NH2+]CC3)c1 ZINC001155495214 862158254 /nfs/dbraw/zinc/15/82/54/862158254.db2.gz OVIFLYUQUNIAHK-UHFFFAOYSA-N 1 0 309.713 1.889 20 5 DDBDRO O=[N+]([O-])c1ccc2nc(NC[C@@]34C[NH2+][C@@H](CO3)C4)cnc2c1 ZINC001155541471 862206635 /nfs/dbraw/zinc/20/66/35/862206635.db2.gz GFBTYJGSNLCKHS-YMTOWFKASA-N 1 0 301.306 1.081 20 5 DDBDRO COc1cnc(NC[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)c([N+](=O)[O-])c1 ZINC001155596390 862273901 /nfs/dbraw/zinc/27/39/01/862273901.db2.gz IOJNWGMLYPMEES-XHDPSFHLSA-N 1 0 322.365 1.569 20 5 DDBDRO O=[N+]([O-])c1cnc(NC[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)c(F)c1 ZINC001155599868 862276866 /nfs/dbraw/zinc/27/68/66/862276866.db2.gz UZZNZSQPRYGWDC-IINYFYTJSA-N 1 0 310.329 1.700 20 5 DDBDRO Cc1nc(NC[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)ncc1[N+](=O)[O-] ZINC001155601334 862279514 /nfs/dbraw/zinc/27/95/14/862279514.db2.gz JCBKMBWWVMUARV-SMDDNHRTSA-N 1 0 307.354 1.264 20 5 DDBDRO O=[N+]([O-])c1cnc(Cl)nc1N[C@@H]1CCO[C@]2(CC[NH2+]C2)C1 ZINC001155619268 862297830 /nfs/dbraw/zinc/29/78/30/862297830.db2.gz OVENNTQZYBKECM-PRHODGIISA-N 1 0 313.745 1.361 20 5 DDBDRO O=[N+]([O-])c1cc(Cl)cnc1N[C@@H]1CCO[C@@]2(CC[NH2+]C2)C1 ZINC001155619589 862301059 /nfs/dbraw/zinc/30/10/59/862301059.db2.gz QKZXQMIPGBJBIW-MFKMUULPSA-N 1 0 312.757 1.966 20 5 DDBDRO CN(CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)C(F)F ZINC001275823694 853819672 /nfs/dbraw/zinc/81/96/72/853819672.db2.gz AFZINHZQINZXJG-UHFFFAOYSA-N 1 0 301.293 1.798 20 5 DDBDRO C[C@H]1CN(c2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])C2(CC2)C1 ZINC001156412416 863022418 /nfs/dbraw/zinc/02/24/18/863022418.db2.gz MLAJYFUJSQSSTE-LLVKDONJSA-N 1 0 318.381 1.173 20 5 DDBDRO C[C@@H]1CN(c2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])C2(CC2)C1 ZINC001156412417 863023215 /nfs/dbraw/zinc/02/32/15/863023215.db2.gz MLAJYFUJSQSSTE-NSHDSACASA-N 1 0 318.381 1.173 20 5 DDBDRO O=C(NCCC[NH2+]C1CC1)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001122118243 858689863 /nfs/dbraw/zinc/68/98/63/858689863.db2.gz NHWYAHVONCZIDO-CABCVRRESA-N 1 0 303.362 1.957 20 5 DDBDRO COCC[C@H]1C[NH2+]CCN1C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC001122313593 858748817 /nfs/dbraw/zinc/74/88/17/858748817.db2.gz ODWYWFLTXZWKTR-ZDUSSCGKSA-N 1 0 307.350 1.354 20 5 DDBDRO Cc1noc(C)c1C(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001123363935 859196734 /nfs/dbraw/zinc/19/67/34/859196734.db2.gz WMSFGTBDTLBTJS-UHFFFAOYSA-N 1 0 318.333 1.719 20 5 DDBDRO CCOCCCC(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001123992256 859514834 /nfs/dbraw/zinc/51/48/34/859514834.db2.gz HEGKYNATBPZGJS-UHFFFAOYSA-N 1 0 309.366 1.617 20 5 DDBDRO C[N+](C)(C)CCCO[C@@H]1CCCN(C(=O)c2cccnc2F)C1 ZINC001224620740 881473002 /nfs/dbraw/zinc/47/30/02/881473002.db2.gz CKYIZVFMRNYXBW-CQSZACIVSA-N 1 0 324.420 1.938 20 5 DDBDRO O=C(NC[C@@H]1CC[N@@H+]1C1CCCCCC1)c1cc([N+](=O)[O-])n[nH]1 ZINC001152052966 863135510 /nfs/dbraw/zinc/13/55/10/863135510.db2.gz KXPBCSXWNDWWLS-LBPRGKRZSA-N 1 0 321.381 1.845 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@@H]([N@H+](C)C(C)C)C2)n1 ZINC001157022494 863522853 /nfs/dbraw/zinc/52/28/53/863522853.db2.gz YBOWPDKBMJIRFC-LLVKDONJSA-N 1 0 322.365 1.695 20 5 DDBDRO CN(C)C=Cc1cc(NC(=N)SCC[NH3+])ncc1[N+](=O)[O-] ZINC001157130704 863602603 /nfs/dbraw/zinc/60/26/03/863602603.db2.gz LCRZPULSIQVOMT-HWKANZROSA-N 1 0 310.383 1.561 20 5 DDBDRO COc1nc(C)c([N+](=O)[O-])c(N2C[C@H]3CCC[N@H+](C)[C@H]3C2)n1 ZINC001157263709 863690572 /nfs/dbraw/zinc/69/05/72/863690572.db2.gz BLGDZVAIBDNVEI-MNOVXSKESA-N 1 0 307.354 1.232 20 5 DDBDRO CCC[NH+]1C[C@@H]2CN(c3nc(Cl)ncc3[N+](=O)[O-])C[C@H]2C1 ZINC001157688075 864046765 /nfs/dbraw/zinc/04/67/65/864046765.db2.gz FIQMUPCDVJMYFD-NXEZZACHSA-N 1 0 311.773 1.816 20 5 DDBDRO CC(C)c1cnc(C[NH2+]CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])o1 ZINC001157775233 864128841 /nfs/dbraw/zinc/12/88/41/864128841.db2.gz LQTVLAOTHYHVTA-GHMZBOCLSA-N 1 0 310.354 1.059 20 5 DDBDRO [NH3+][C@@H](CO)Cc1cncn1-c1ccc2cccc([N+](=O)[O-])c2n1 ZINC001158203521 864487064 /nfs/dbraw/zinc/48/70/64/864487064.db2.gz CDLCGJGSDJNVIW-LLVKDONJSA-N 1 0 313.317 1.191 20 5 DDBDRO COc1cc2c(cc1OC(=O)C[C@@H](O)C[N+](C)(C)C)CCC2=O ZINC001225372544 881801234 /nfs/dbraw/zinc/80/12/34/881801234.db2.gz FFSHJSWWCDHIKY-GFCCVEGCSA-N 1 0 322.381 1.187 20 5 DDBDRO [NH3+][C@]12CCC[C@@H]1CN(C(=O)/C=C\c1ccc([N+](=O)[O-])cc1)C2 ZINC001331049749 864804076 /nfs/dbraw/zinc/80/40/76/864804076.db2.gz GFNJQFYWJAZRMS-DSGJPFBLSA-N 1 0 301.346 1.948 20 5 DDBDRO COc1nc(C)c([N+](=O)[O-])c(NCC23CC[NH+](CC2)CC3)n1 ZINC001158827361 864923055 /nfs/dbraw/zinc/92/30/55/864923055.db2.gz QKBNPLQYYGBEGG-UHFFFAOYSA-N 1 0 307.354 1.600 20 5 DDBDRO [NH3+]Cc1ccc2nnn(-c3ccc4[nH]cc([N+](=O)[O-])c4n3)c2c1 ZINC001159028807 865056909 /nfs/dbraw/zinc/05/69/09/865056909.db2.gz HXXQUKMYBQRJGI-UHFFFAOYSA-N 1 0 309.289 1.664 20 5 DDBDRO C[NH2+][C@H](C)CCNC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC001331467271 865102503 /nfs/dbraw/zinc/10/25/03/865102503.db2.gz UVXRPMMGSXFTPP-GFCCVEGCSA-N 1 0 308.382 1.777 20 5 DDBDRO C[C@@H](Nc1ccc2cccc([N+](=O)[O-])c2n1)[C@H]1C[NH2+]CCO1 ZINC001159498839 865354067 /nfs/dbraw/zinc/35/40/67/865354067.db2.gz RMYXGYNDRNSIAN-ZWNOBZJWSA-N 1 0 302.334 1.932 20 5 DDBDRO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1ncc([N+](=O)[O-])cc1Cl ZINC001159751000 865501509 /nfs/dbraw/zinc/50/15/09/865501509.db2.gz TUYASQYNOBJMGZ-PSASIEDQSA-N 1 0 314.729 1.206 20 5 DDBDRO COc1cc(C)nc(N[C@@]2(C[NH3+])CN3CCC2CC3)c1[N+](=O)[O-] ZINC001160509803 865889607 /nfs/dbraw/zinc/88/96/07/865889607.db2.gz AJRAOOPUZYRBCI-HNNXBMFYSA-N 1 0 321.381 1.142 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])c(N[C@@]2(C[NH3+])CN3CCC2CC3)n1 ZINC001160512885 865898105 /nfs/dbraw/zinc/89/81/05/865898105.db2.gz FKYLUVBLXOAYDM-HNNXBMFYSA-N 1 0 305.382 1.442 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1nncc(Cl)c1Cl ZINC001225681645 881974764 /nfs/dbraw/zinc/97/47/64/881974764.db2.gz ZKRAFUHMNYUVCT-SSDOTTSWSA-N 1 0 309.173 1.146 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cc(Cl)ccc1[N+](=O)[O-] ZINC001225711001 881987534 /nfs/dbraw/zinc/98/75/34/881987534.db2.gz RTLDGFFSVPQIEA-SNVBAGLBSA-N 1 0 317.749 1.611 20 5 DDBDRO Cc1n[nH]c(C(=O)N2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)c1[N+](=O)[O-] ZINC001333928906 867163681 /nfs/dbraw/zinc/16/36/81/867163681.db2.gz CHOLDMWUMQRXEE-SDDRHHMPSA-N 1 0 321.381 1.429 20 5 DDBDRO COC(=O)[C@@H]1CCC[C@H]1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC001321386534 867548851 /nfs/dbraw/zinc/54/88/51/867548851.db2.gz RCDPRQMTSXEUBM-VXGBXAGGSA-N 1 0 308.334 1.905 20 5 DDBDRO O=[N+]([O-])c1cc2c(cc1F)ncnc2NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC001162472562 867558291 /nfs/dbraw/zinc/55/82/91/867558291.db2.gz NCOHWSOELWZQFO-YUMQZZPRSA-N 1 0 309.276 1.789 20 5 DDBDRO CCOC(=O)c1c(C[NH3+])ncn1-c1cccc(OC)c1[N+](=O)[O-] ZINC001162538002 867620642 /nfs/dbraw/zinc/62/06/42/867620642.db2.gz WGRQVUJXSQRUIY-UHFFFAOYSA-N 1 0 320.305 1.425 20 5 DDBDRO O=C(NCC[NH+]1CC=CC1)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001334609214 867707404 /nfs/dbraw/zinc/70/74/04/867707404.db2.gz XQPKVRWJKOIXNC-CABCVRRESA-N 1 0 301.346 1.686 20 5 DDBDRO O=[N+]([O-])c1cccc2ncnc(NC[C@@H]3CC[NH2+]C[C@@H]3F)c21 ZINC001162809108 867843667 /nfs/dbraw/zinc/84/36/67/867843667.db2.gz WEJMZICOZDRHNQ-UWVGGRQHSA-N 1 0 305.313 1.898 20 5 DDBDRO CC(=O)c1cc(F)cc(F)c1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001225950898 882127443 /nfs/dbraw/zinc/12/74/43/882127443.db2.gz NSVHGPLPUOYNEO-LLVKDONJSA-N 1 0 316.324 1.530 20 5 DDBDRO COC(=O)[C@@H](Nc1ccc2cc([N+](=O)[O-])ccc2n1)C(C)(C)[NH3+] ZINC001162941814 867929240 /nfs/dbraw/zinc/92/92/40/867929240.db2.gz QENMCTHLVSGSBR-CYBMUJFWSA-N 1 0 318.333 1.834 20 5 DDBDRO O=[N+]([O-])c1cc(N[C@@H]2COCCC23C[NH2+]C3)cc2cccnc21 ZINC001163079582 868062724 /nfs/dbraw/zinc/06/27/24/868062724.db2.gz OQOQYZASABLARX-CQSZACIVSA-N 1 0 314.345 1.933 20 5 DDBDRO CCOc1cnc(NCC[C@H]2CCOC23C[NH2+]C3)c([N+](=O)[O-])c1 ZINC001163080780 868064506 /nfs/dbraw/zinc/06/45/06/868064506.db2.gz IMVDVYIIVFPQDE-NSHDSACASA-N 1 0 322.365 1.569 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(NCC[C@@H]2CCOC23C[NH2+]C3)n1 ZINC001163082736 868068640 /nfs/dbraw/zinc/06/86/40/868068640.db2.gz SCKWOKIMGKETMQ-SNVBAGLBSA-N 1 0 308.338 1.179 20 5 DDBDRO C[NH+]1CCC(C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)CC1 ZINC001322241790 868074729 /nfs/dbraw/zinc/07/47/29/868074729.db2.gz NBEIFQPLJYPLKO-UHFFFAOYSA-N 1 0 321.381 1.297 20 5 DDBDRO COc1cc(NC[C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)cc([N+](=O)[O-])c1C ZINC001163104960 868102567 /nfs/dbraw/zinc/10/25/67/868102567.db2.gz GROCPAAUUPXYOE-IXPVHAAZSA-N 1 0 307.350 1.558 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(NC[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)n1 ZINC001163269141 868286458 /nfs/dbraw/zinc/28/64/58/868286458.db2.gz WRVHKTWCRVOSCX-IAQYHMDHSA-N 1 0 322.365 1.569 20 5 DDBDRO COc1cc(NC[C@H]2CO[C@]3(C2)CCC[NH2+]C3)cnc1[N+](=O)[O-] ZINC001163284969 868309309 /nfs/dbraw/zinc/30/93/09/868309309.db2.gz PVMPXGHOALPNIB-NHYWBVRUSA-N 1 0 322.365 1.569 20 5 DDBDRO Cc1c(F)cnc(N[C@H]2CCO[C@]3(CC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC001163310369 868339257 /nfs/dbraw/zinc/33/92/57/868339257.db2.gz LAEOGUJTCNVIJG-IINYFYTJSA-N 1 0 310.329 1.760 20 5 DDBDRO COC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001322924378 868466490 /nfs/dbraw/zinc/46/64/90/868466490.db2.gz VJABMKNRGIAASX-QWRGUYRKSA-N 1 0 318.333 1.902 20 5 DDBDRO CCc1ccc(C(=O)N[C@@H]2C[NH+]3CCC2CC3)cc1[N+](=O)[O-] ZINC001336617846 869051045 /nfs/dbraw/zinc/05/10/45/869051045.db2.gz STTBWMDLYJINJG-CQSZACIVSA-N 1 0 303.362 1.981 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CCC[C@](C)(C[NH3+])CC2)n1 ZINC001164250770 869059184 /nfs/dbraw/zinc/05/91/84/869059184.db2.gz ZGGXNQFBTIYRDN-HNNXBMFYSA-N 1 0 322.365 1.732 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1N(C)S(=O)(=O)CC[NH3+] ZINC001164296585 869097908 /nfs/dbraw/zinc/09/79/08/869097908.db2.gz GDHYVVSIWWOARR-UHFFFAOYSA-N 1 0 301.368 1.245 20 5 DDBDRO COC1(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCC1 ZINC001336712274 869103647 /nfs/dbraw/zinc/10/36/47/869103647.db2.gz ZDYVDOAIXUBCNW-UHFFFAOYSA-N 1 0 306.366 1.681 20 5 DDBDRO C[C@@H]1C[NH2+]C[C@H]1CNC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001336926080 869220015 /nfs/dbraw/zinc/22/00/15/869220015.db2.gz ISLPZMIAYFVMTF-MFKMUULPSA-N 1 0 304.350 1.476 20 5 DDBDRO O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2C[C@H]3C[NH2+][C@@H]3C2)c1 ZINC001165194371 869420881 /nfs/dbraw/zinc/42/08/81/869420881.db2.gz FVZMVQRBXJKPDT-HZGVNTEJSA-N 1 0 304.684 1.596 20 5 DDBDRO COC(=O)c1ncc([N+](=O)[O-])cc1NCC[C@@H]1CCC[N@H+](C)C1 ZINC001165300383 869506652 /nfs/dbraw/zinc/50/66/52/869506652.db2.gz NECLSNOBVCLYKB-NSHDSACASA-N 1 0 322.365 1.920 20 5 DDBDRO O=[N+]([O-])c1ccc(-c2ccc(N3CCC[C@@H]4[NH2+]C[C@H]43)nn2)cc1 ZINC001165395245 869564821 /nfs/dbraw/zinc/56/48/21/869564821.db2.gz UJXIZZDFXBWLTH-LSDHHAIUSA-N 1 0 311.345 1.992 20 5 DDBDRO COC(=O)Cc1ccc(N[C@H]2C[NH+]3CCC2CC3)c([N+](=O)[O-])c1 ZINC001338047625 869765743 /nfs/dbraw/zinc/76/57/43/869765743.db2.gz DSNASBYPKZYHGC-AWEZNQCLSA-N 1 0 319.361 1.816 20 5 DDBDRO C[N@@H+]1C[C@@H]2CC[C@@H](Nc3nc4ccccn4c3[N+](=O)[O-])[C@@H]2C1 ZINC001338161458 869842135 /nfs/dbraw/zinc/84/21/35/869842135.db2.gz CNOLYLVQGTYZJV-QJPTWQEYSA-N 1 0 301.350 1.995 20 5 DDBDRO COc1cnc(-n2ccc([C@@H]3CCC[NH2+]3)nc2=N)c([N+](=O)[O-])c1 ZINC001166700739 870168263 /nfs/dbraw/zinc/16/82/63/870168263.db2.gz LWVANBACHOVURJ-JTQLQIEISA-N 1 0 316.321 1.088 20 5 DDBDRO CSc1nc(Cl)nc(N(C)C[C@@H]2CC[NH2+]C2)c1[N+](=O)[O-] ZINC001166955906 870417943 /nfs/dbraw/zinc/41/79/43/870417943.db2.gz KTWGKCGRAOICOK-SSDOTTSWSA-N 1 0 317.802 1.806 20 5 DDBDRO CCn1c([C@@H](C)[N+](=O)[O-])nnc1N1CCC([NH+](CC)CC)CC1 ZINC001340123472 870907414 /nfs/dbraw/zinc/90/74/14/870907414.db2.gz KDFHVJZFXAECKT-GFCCVEGCSA-N 1 0 324.429 1.946 20 5 DDBDRO COCC[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001340260498 870994266 /nfs/dbraw/zinc/99/42/66/870994266.db2.gz AJTKJZSINILHLO-UONOGXRCSA-N 1 0 307.350 1.051 20 5 DDBDRO C[NH2+]C[C@@H](O)[C@@H](C)C(=O)N1CCc2cc(C)c([N+](=O)[O-])cc21 ZINC001340427886 871098547 /nfs/dbraw/zinc/09/85/47/871098547.db2.gz DQIQVRQXNISNKT-QMTHXVAHSA-N 1 0 307.350 1.009 20 5 DDBDRO Cc1cncc([N+](=O)[O-])c1NC(=O)NCC1CC[NH+](C)CC1 ZINC001310517745 871636995 /nfs/dbraw/zinc/63/69/95/871636995.db2.gz BVQAINALEBVIMI-UHFFFAOYSA-N 1 0 307.354 1.183 20 5 DDBDRO O=C(N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001342186780 872057416 /nfs/dbraw/zinc/05/74/16/872057416.db2.gz HBQHYRFJYWFRFQ-VNUKXSOBSA-N 1 0 301.346 1.707 20 5 DDBDRO C[C@H]1CN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC[C@H]1C[NH3+] ZINC001342650104 872317023 /nfs/dbraw/zinc/31/70/23/872317023.db2.gz XWMRLFUOXMLRGY-RYUDHWBXSA-N 1 0 307.350 1.417 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC2(CC1)C[NH2+]CCO2 ZINC001345118602 873263380 /nfs/dbraw/zinc/26/33/80/873263380.db2.gz CTYYHUVBOWYNDF-UHFFFAOYSA-N 1 0 319.361 1.498 20 5 DDBDRO COc1c(C(=O)NC[C@@H]2CCCC[N@@H+]2C)cccc1[N+](=O)[O-] ZINC001347505044 874165676 /nfs/dbraw/zinc/16/56/76/874165676.db2.gz UYUPAOMQENGKBS-NSHDSACASA-N 1 0 307.350 1.818 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)OCCCCOCc1ccccc1 ZINC001209844795 875142401 /nfs/dbraw/zinc/14/24/01/875142401.db2.gz DIQLQBJCRWAYHW-QGZVFWFLSA-N 1 0 324.441 1.984 20 5 DDBDRO CCC/C=C\CC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001227257419 882936162 /nfs/dbraw/zinc/93/61/62/882936162.db2.gz ADEGRQLELPQJBU-ZYDHHDLOSA-N 1 0 309.410 1.979 20 5 DDBDRO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3F)[C@@H]2C1 ZINC001350914986 875955605 /nfs/dbraw/zinc/95/56/05/875955605.db2.gz GAVKBMRVNSFFIJ-MRCXROJRSA-N 1 0 307.325 1.804 20 5 DDBDRO COC(=O)c1sc([N+](=O)[O-])cc1OC1CC[NH+](C)CC1 ZINC001227541451 883069183 /nfs/dbraw/zinc/06/91/83/883069183.db2.gz FMISSGXOERSTBS-UHFFFAOYSA-N 1 0 300.336 1.916 20 5 DDBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CC[NH2+]C[C@H]1CO ZINC001358034510 880302958 /nfs/dbraw/zinc/30/29/58/880302958.db2.gz CEOUPJHXZNOCFQ-NSHDSACASA-N 1 0 321.358 1.216 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cccnc1C(F)(F)F ZINC001228596207 883566306 /nfs/dbraw/zinc/56/63/06/883566306.db2.gz FMTQWTQFHHMKBJ-SECBINFHSA-N 1 0 307.292 1.463 20 5 DDBDRO C[C@H](C[N+](C)(C)C)Oc1cnc2c(Br)cnn2c1 ZINC001229874152 884205518 /nfs/dbraw/zinc/20/55/18/884205518.db2.gz RZVCGTPEALZDQZ-SECBINFHSA-N 1 0 314.207 1.965 20 5 DDBDRO OC[C@@H]1C[N@H+](Cc2ccc3ccc4cccnc4c3n2)C[C@@H]1O ZINC001232219395 886167219 /nfs/dbraw/zinc/16/72/19/886167219.db2.gz TZIRRFBKKKXJGR-HOCLYGCPSA-N 1 0 309.369 1.568 20 5 DDBDRO COC(=O)CCc1cccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)c1 ZINC001233652268 887190008 /nfs/dbraw/zinc/19/00/08/887190008.db2.gz MKCMNEGGHZNAGF-CQSZACIVSA-N 1 0 324.397 1.155 20 5 DDBDRO COc1cc(OC(=O)C[C@@H](O)C[N+](C)(C)C)c(Cl)cn1 ZINC001234219814 887763258 /nfs/dbraw/zinc/76/32/58/887763258.db2.gz NLOMZZAOKVNDMH-SECBINFHSA-N 1 0 303.766 1.106 20 5 DDBDRO COc1ccc(C[C@H](C)[NH2+][C@@H]2CCNC[C@H]2F)c([N+](=O)[O-])c1 ZINC001246087558 892409217 /nfs/dbraw/zinc/40/92/17/892409217.db2.gz OZWDOPFCTPYFKC-ZLKJLUDKSA-N 1 0 311.357 1.824 20 5 DDBDRO CC1(c2nc(-c3ncc(F)cc3[N+](=O)[O-])no2)CC[NH2+]CC1 ZINC001247965358 893500123 /nfs/dbraw/zinc/50/01/23/893500123.db2.gz RKTONTJBLBOOGL-UHFFFAOYSA-N 1 0 307.285 1.820 20 5 DDBDRO COc1ccc(CC(=O)NCC[NH+]2CC=CC2)cc1[N+](=O)[O-] ZINC001252481283 895197738 /nfs/dbraw/zinc/19/77/38/895197738.db2.gz FJLOTKQLFGTILL-UHFFFAOYSA-N 1 0 305.334 1.134 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@]1(C)CCC(=O)NC1=O ZINC001254542485 896496611 /nfs/dbraw/zinc/49/66/11/896496611.db2.gz ODUXEEKOUNJZJD-BMIGLBTASA-N 1 0 305.334 1.311 20 5 DDBDRO CNC(=O)N1CCC([NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001254549148 896499706 /nfs/dbraw/zinc/49/97/06/896499706.db2.gz SKMLZZUKUOXFHX-LBPRGKRZSA-N 1 0 320.393 1.919 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]C[C@H]1CCS(=O)(=O)C1)C2 ZINC001254574626 896508969 /nfs/dbraw/zinc/50/89/69/896508969.db2.gz JJRSKZJLMCXDDR-MFKMUULPSA-N 1 0 310.375 1.086 20 5 DDBDRO CN(C)C(=O)[C@@H]1CCC[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254597368 896524202 /nfs/dbraw/zinc/52/42/02/896524202.db2.gz CTQRIKUNHMFCLN-CZUORRHYSA-N 1 0 317.389 1.862 20 5 DDBDRO C[C@@H]1C[NH+](CCCCNc2c([N+](=O)[O-])cnn2C)C[C@@H](C)O1 ZINC001262360009 900130751 /nfs/dbraw/zinc/13/07/51/900130751.db2.gz RUHMTQZEZYHNKK-VXGBXAGGSA-N 1 0 311.386 1.630 20 5 DDBDRO CCO[C@H]1C[C@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC001262571907 900253899 /nfs/dbraw/zinc/25/38/99/900253899.db2.gz GCJLVMIPWYTRNM-WHOFXGATSA-N 1 0 310.350 1.492 20 5 DDBDRO O=C(COc1ccccc1[N+](=O)[O-])N[C@@H]1C[NH2+]CCC1(F)F ZINC000449657231 230628175 /nfs/dbraw/zinc/62/81/75/230628175.db2.gz OEHFGLQJELDQPG-LLVKDONJSA-N 1 0 315.276 1.087 20 5 DDBDRO COC[C@@H](C)OC[C@@H](O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000278513723 214203068 /nfs/dbraw/zinc/20/30/68/214203068.db2.gz FJLDQMLXMSZKAJ-OCCSQVGLSA-N 1 0 312.366 1.439 20 5 DDBDRO C[C@H]1CCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H]1CO ZINC000305429846 231007056 /nfs/dbraw/zinc/00/70/56/231007056.db2.gz DLDTWSBNFQCPSW-IINYFYTJSA-N 1 0 307.350 1.287 20 5 DDBDRO CC1(C)[C@H](O)C[C@H]1[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000614582981 361928507 /nfs/dbraw/zinc/92/85/07/361928507.db2.gz HXSMQVDFXXLERY-ZIAGYGMSSA-N 1 0 308.334 1.615 20 5 DDBDRO Cc1nn(CCC(=O)N[C@@H]2CCC[C@H]2[NH+](C)C)c(C)c1[N+](=O)[O-] ZINC000614712741 361987059 /nfs/dbraw/zinc/98/70/59/361987059.db2.gz WMNLRPQLOBQWLP-CHWSQXEVSA-N 1 0 323.397 1.397 20 5 DDBDRO C[C@@H]1C[N@H+](CCCNC(=O)c2ccc([N+](=O)[O-])o2)CCCO1 ZINC000278718877 214351734 /nfs/dbraw/zinc/35/17/34/214351734.db2.gz VVNGCPSVSQBWKN-LLVKDONJSA-N 1 0 311.338 1.419 20 5 DDBDRO CC[N@@H+]1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000286637324 219097930 /nfs/dbraw/zinc/09/79/30/219097930.db2.gz SWQZTFPDSBMQKO-CYBMUJFWSA-N 1 0 320.393 1.949 20 5 DDBDRO Cc1nn(CCC(=O)N[C@](C)(C[NH3+])C2CC2)c(C)c1[N+](=O)[O-] ZINC000154984911 282302631 /nfs/dbraw/zinc/30/26/31/282302631.db2.gz FOJKNJCWCQVYQY-CQSZACIVSA-N 1 0 309.370 1.042 20 5 DDBDRO CNC(=O)[C@@H](C)C[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444650328 529894900 /nfs/dbraw/zinc/89/49/00/529894900.db2.gz MUZFMKZKHFNLKB-VIFPVBQESA-N 1 0 305.338 1.285 20 5 DDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NCC1([NH+](C)C)CCC1 ZINC000445603224 529932837 /nfs/dbraw/zinc/93/28/37/529932837.db2.gz BJRNSNDGHWSAGV-UHFFFAOYSA-N 1 0 306.366 1.851 20 5 DDBDRO C[NH2+]CCN(C)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000420335859 529973602 /nfs/dbraw/zinc/97/36/02/529973602.db2.gz JTWPOBWYYKTHJB-JTQLQIEISA-N 1 0 310.354 1.082 20 5 DDBDRO CN(c1ncc([N+](=O)[O-])cc1C(N)=O)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000286374111 282344904 /nfs/dbraw/zinc/34/49/04/282344904.db2.gz MTSLGUMMMJZQHL-ZACCUICWSA-N 1 0 319.365 1.150 20 5 DDBDRO Cc1c([C@H](C)[NH2+]CCC2CS(=O)(=O)C2)cccc1[N+](=O)[O-] ZINC000615761616 362428653 /nfs/dbraw/zinc/42/86/53/362428653.db2.gz WJIMDALQUVZMHA-NSHDSACASA-N 1 0 312.391 1.989 20 5 DDBDRO CN1C(=O)CC[C@@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])C1=O ZINC000424203320 530041032 /nfs/dbraw/zinc/04/10/32/530041032.db2.gz KBUCXEYXRCEWOA-TXNVCOODSA-N 1 0 303.318 1.345 20 5 DDBDRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000299605314 530055893 /nfs/dbraw/zinc/05/58/93/530055893.db2.gz YCZGWUDRDWCSAS-OAHLLOKOSA-N 1 0 318.377 1.338 20 5 DDBDRO Cc1nn(C)c(C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)c1[N+](=O)[O-] ZINC000330780626 232062080 /nfs/dbraw/zinc/06/20/80/232062080.db2.gz XEMGCJOGLCJIGR-VIFPVBQESA-N 1 0 307.354 1.017 20 5 DDBDRO CCC[NH+](CCC)CCCNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000341862257 282496784 /nfs/dbraw/zinc/49/67/84/282496784.db2.gz HTUXJZURWOUOPV-UHFFFAOYSA-N 1 0 324.381 1.937 20 5 DDBDRO COc1ccc(S(=O)(=O)N[C@@H](C)C[C@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000320480626 290820329 /nfs/dbraw/zinc/82/03/29/290820329.db2.gz GUNPGORFOJFVGK-IUCAKERBSA-N 1 0 317.367 1.008 20 5 DDBDRO COc1cc(C[NH2+][C@@H]2CCC[C@H]2CCO)c([N+](=O)[O-])cc1O ZINC000189951180 186254112 /nfs/dbraw/zinc/25/41/12/186254112.db2.gz VXEUKZZQCLMOBE-CMPLNLGQSA-N 1 0 310.350 1.950 20 5 DDBDRO C[C@@]1(C(=O)NCCNc2ccccc2[N+](=O)[O-])CCC[NH2+]C1 ZINC000237498304 186297988 /nfs/dbraw/zinc/29/79/88/186297988.db2.gz DSYDPYSHXDJXOS-OAHLLOKOSA-N 1 0 306.366 1.513 20 5 DDBDRO C[C@H](CC[NH+](C)C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000265981616 186346913 /nfs/dbraw/zinc/34/69/13/186346913.db2.gz FVTJHKFRWOLYAR-SNVBAGLBSA-N 1 0 301.368 1.213 20 5 DDBDRO CC(C)NC(=O)NCC[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000564904424 304025035 /nfs/dbraw/zinc/02/50/35/304025035.db2.gz DXGGOJRYMPXCLP-UHFFFAOYSA-N 1 0 308.382 1.777 20 5 DDBDRO COCC[N@H+](C)CCCNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000041423026 352307257 /nfs/dbraw/zinc/30/72/57/352307257.db2.gz XMUKVDFFYHCZOU-UHFFFAOYSA-N 1 0 309.366 1.601 20 5 DDBDRO C[NH+](C)C1(CNC(=O)Cn2ccc([N+](=O)[O-])n2)CCCCCC1 ZINC000043271944 352363801 /nfs/dbraw/zinc/36/38/01/352363801.db2.gz LPKPPTKFGRVXPC-UHFFFAOYSA-N 1 0 323.397 1.562 20 5 DDBDRO O=[N+]([O-])c1ccc(CN2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000057885171 352833178 /nfs/dbraw/zinc/83/31/78/352833178.db2.gz GWPAGSGSSJZSOT-INIZCTEOSA-N 1 0 305.378 1.891 20 5 DDBDRO C[NH+](C)CC(C)(C)CNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000060783318 352879955 /nfs/dbraw/zinc/87/99/55/352879955.db2.gz GPRJIRRWGOBGHK-UHFFFAOYSA-N 1 0 309.366 1.678 20 5 DDBDRO CC[NH+]1CCN(CCOc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000173491925 198220446 /nfs/dbraw/zinc/22/04/46/198220446.db2.gz UDRYOYBJZQJIOU-UHFFFAOYSA-N 1 0 309.366 1.620 20 5 DDBDRO C[N@@H+]1CCC[C@H](NC(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000073811937 353272079 /nfs/dbraw/zinc/27/20/79/353272079.db2.gz FOAUTBUMBSDAAO-ZDUSSCGKSA-N 1 0 306.366 1.531 20 5 DDBDRO Cc1n[nH]c(C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)c1[N+](=O)[O-] ZINC000074321170 353306581 /nfs/dbraw/zinc/30/65/81/353306581.db2.gz IBNWUIPUGGONBL-GFCCVEGCSA-N 1 0 321.381 1.430 20 5 DDBDRO CCN1CC[NH+](C[C@@H](C)CNc2ncc(C)cc2[N+](=O)[O-])CC1 ZINC000078632330 353526297 /nfs/dbraw/zinc/52/62/97/353526297.db2.gz NUZWKKBGCFDBRE-AWEZNQCLSA-N 1 0 321.425 1.984 20 5 DDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000139638909 354130992 /nfs/dbraw/zinc/13/09/92/354130992.db2.gz CASWZTAWUYCYKL-ZDUSSCGKSA-N 1 0 306.366 1.830 20 5 DDBDRO C[C@H]1C[C@@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2N)CC[N@@H+]1C ZINC000176868404 198631542 /nfs/dbraw/zinc/63/15/42/198631542.db2.gz NKLJEFKFQBVKBO-QWRGUYRKSA-N 1 0 306.366 1.732 20 5 DDBDRO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C[C@H](O)C1CC1 ZINC000305690721 354470789 /nfs/dbraw/zinc/47/07/89/354470789.db2.gz BBWCUSVSXPPPPV-AWEZNQCLSA-N 1 0 307.350 1.626 20 5 DDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000314401394 354485792 /nfs/dbraw/zinc/48/57/92/354485792.db2.gz XHKQXGHYKMBCSO-ZDUSSCGKSA-N 1 0 303.362 1.928 20 5 DDBDRO CCOc1cc(NC[C@H]2C[N@H+](C)CCN2C)ccc1[N+](=O)[O-] ZINC000315929281 354498193 /nfs/dbraw/zinc/49/81/93/354498193.db2.gz XBVVVJCUJJRXFL-ZDUSSCGKSA-N 1 0 308.382 1.651 20 5 DDBDRO C[C@@H](C[NH+](C)C)Nc1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C ZINC000588086089 354899885 /nfs/dbraw/zinc/89/98/85/354899885.db2.gz XPJMHPLOOAKYJP-VIFPVBQESA-N 1 0 307.354 1.147 20 5 DDBDRO CN1C[C@H]2CC[N@H+](CCCOc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000590011976 355040231 /nfs/dbraw/zinc/04/02/31/355040231.db2.gz NSJXUWKXIVKKHC-CJNGLKHVSA-N 1 0 305.378 2.000 20 5 DDBDRO C[N@@H+]1C[C@H]2CCN(C(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)[C@@H]2C1 ZINC000590445474 355098873 /nfs/dbraw/zinc/09/88/73/355098873.db2.gz MYSYZPLZJCWVOV-MEBBXXQBSA-N 1 0 314.345 1.852 20 5 DDBDRO CNC(=O)CCC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000590604975 355129263 /nfs/dbraw/zinc/12/92/63/355129263.db2.gz UIGGOLZCWIKJGZ-UHFFFAOYSA-N 1 0 306.366 1.243 20 5 DDBDRO C[C@@]1(C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CCC(=O)N1 ZINC000590781200 355176443 /nfs/dbraw/zinc/17/64/43/355176443.db2.gz FSWFKQUOOWNXID-HNNXBMFYSA-N 1 0 321.333 1.124 20 5 DDBDRO C[N@@H+]1C[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000591083761 355245652 /nfs/dbraw/zinc/24/56/52/355245652.db2.gz DPLHDZOLGYCNDL-SLBVQIDZSA-N 1 0 315.373 1.861 20 5 DDBDRO CC(C)(NC(=O)NCC[NH2+]C1CC1)c1ccccc1[N+](=O)[O-] ZINC000591359250 355300423 /nfs/dbraw/zinc/30/04/23/355300423.db2.gz HAKDMOLCDIDNQN-UHFFFAOYSA-N 1 0 306.366 1.881 20 5 DDBDRO C[C@@H]1CN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])[C@H](C)C[NH2+]1 ZINC000591433893 355310488 /nfs/dbraw/zinc/31/04/88/355310488.db2.gz HNDNGGKRFUIHHW-HTQZYQBOSA-N 1 0 319.408 1.246 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CC[C@H]1CCCO1 ZINC000591722968 355370922 /nfs/dbraw/zinc/37/09/22/355370922.db2.gz DFUNYZKMHIBSTK-QWHCGFSZSA-N 1 0 310.350 1.493 20 5 DDBDRO O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000591685999 355362211 /nfs/dbraw/zinc/36/22/11/355362211.db2.gz ITZSQSLWSXSNDF-YUMQZZPRSA-N 1 0 301.705 1.678 20 5 DDBDRO C[C@@H]([NH3+])[C@H]1CN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000592306638 355556326 /nfs/dbraw/zinc/55/63/26/355556326.db2.gz DLCQCRFUARTWSV-BXUZGUMPSA-N 1 0 321.377 1.447 20 5 DDBDRO COc1ccc(CC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000592330773 355560422 /nfs/dbraw/zinc/56/04/22/355560422.db2.gz DMGFFXQDKLPYPX-NEPJUHHUSA-N 1 0 307.350 1.532 20 5 DDBDRO O=c1c2c(ncn1Cc1c(F)cccc1[N+](=O)[O-])CC[NH2+]CC2 ZINC000592177811 355525968 /nfs/dbraw/zinc/52/59/68/355525968.db2.gz SSSXFKOUIGJXBT-UHFFFAOYSA-N 1 0 318.308 1.027 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@@H]2CC[C@H](O)C2)c1 ZINC000592431303 355581706 /nfs/dbraw/zinc/58/17/06/355581706.db2.gz BBCLDBHNVLIECF-KWCYVHTRSA-N 1 0 310.350 1.085 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000592476548 355593850 /nfs/dbraw/zinc/59/38/50/355593850.db2.gz IIKQECQFLHZAPJ-QWHCGFSZSA-N 1 0 321.377 1.708 20 5 DDBDRO C[C@@H]1C[C@@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CO1 ZINC000592367316 355568559 /nfs/dbraw/zinc/56/85/59/355568559.db2.gz PJWLRASPAZFUBL-GHMZBOCLSA-N 1 0 314.363 1.136 20 5 DDBDRO CC[C@@H]1CN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC[C@H]1[NH3+] ZINC000592427700 355580511 /nfs/dbraw/zinc/58/05/11/355580511.db2.gz QPTDJXKCBYRWML-DGCLKSJQSA-N 1 0 321.377 1.925 20 5 DDBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCC[NH2+]CC1 ZINC000592544555 355622300 /nfs/dbraw/zinc/62/23/00/355622300.db2.gz QZPXFVKHVKRYOH-LLVKDONJSA-N 1 0 309.391 1.945 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H](C)[C@@H]2CCOC2)c1 ZINC000593024620 355772724 /nfs/dbraw/zinc/77/27/24/355772724.db2.gz OVFWNASGSVDUHA-CMPLNLGQSA-N 1 0 308.334 1.896 20 5 DDBDRO CCOC(=O)c1ccnc(NCC[NH2+]C(C)(C)C)c1[N+](=O)[O-] ZINC000077963358 191801973 /nfs/dbraw/zinc/80/19/73/191801973.db2.gz LPRHJQNGPZDQRP-UHFFFAOYSA-N 1 0 310.354 1.967 20 5 DDBDRO CC(C)O[C@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000593055710 355781464 /nfs/dbraw/zinc/78/14/64/355781464.db2.gz NEUBJXSYZHWDBN-AWEZNQCLSA-N 1 0 309.366 1.646 20 5 DDBDRO O=[N+]([O-])c1cccc(OCCN2CCC([NH2+]CCO)CC2)c1 ZINC000601328049 358499347 /nfs/dbraw/zinc/49/93/47/358499347.db2.gz FHSOCDVMTGGXGV-UHFFFAOYSA-N 1 0 309.366 1.020 20 5 DDBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000593679313 355964632 /nfs/dbraw/zinc/96/46/32/355964632.db2.gz KQCICCCUHHGJTF-KYTCBBFDSA-N 1 0 317.389 1.749 20 5 DDBDRO O=[N+]([O-])c1ccc(CN2CC([N@@H+]3CC[C@@H](O)C3)C2)c(Cl)c1 ZINC000593680421 355965857 /nfs/dbraw/zinc/96/58/57/355965857.db2.gz VNAIJCKOTBLMIZ-CYBMUJFWSA-N 1 0 311.769 1.499 20 5 DDBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000593903772 356050791 /nfs/dbraw/zinc/05/07/91/356050791.db2.gz NKBPVTOIBWMHEA-CABCVRRESA-N 1 0 319.361 1.620 20 5 DDBDRO Cc1c(NC(=O)[C@H](C)N2C[C@H]3CC[C@@H](C2)[NH2+]3)cccc1[N+](=O)[O-] ZINC000601329175 358500686 /nfs/dbraw/zinc/50/06/86/358500686.db2.gz GOTGULJPFQSJRP-RWMBFGLXSA-N 1 0 318.377 1.666 20 5 DDBDRO Cn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)n1 ZINC000594198977 356138578 /nfs/dbraw/zinc/13/85/78/356138578.db2.gz WXAPPBXZEBOZSJ-MNOVXSKESA-N 1 0 307.354 1.075 20 5 DDBDRO [NH3+]C[C@@H](NC(=O)CCOc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000594451320 356222011 /nfs/dbraw/zinc/22/20/11/356222011.db2.gz KFUFRDYGWRHHJF-SNVBAGLBSA-N 1 0 321.255 1.370 20 5 DDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594419786 356204713 /nfs/dbraw/zinc/20/47/13/356204713.db2.gz RLEVQTSVLOLULK-OLZOCXBDSA-N 1 0 318.377 1.924 20 5 DDBDRO O=[N+]([O-])c1cc(O)ccc1-n1cc(C[C@H]2CCC[NH2+]C2)nn1 ZINC000594652787 356275441 /nfs/dbraw/zinc/27/54/41/356275441.db2.gz OQPANERHGDVQKQ-SNVBAGLBSA-N 1 0 303.322 1.423 20 5 DDBDRO O=[N+]([O-])c1cccc(C[NH2+]C2CCN([C@@H]3CCOC3)CC2)c1 ZINC000594494140 356237543 /nfs/dbraw/zinc/23/75/43/356237543.db2.gz UXTSHWZWUMVWFW-MRXNPFEDSA-N 1 0 305.378 1.938 20 5 DDBDRO Cc1c(CNC(=O)N[C@H](C[NH3+])C(F)(F)F)cccc1[N+](=O)[O-] ZINC000594525889 356243453 /nfs/dbraw/zinc/24/34/53/356243453.db2.gz XVYNBPSRROFIHD-SNVBAGLBSA-N 1 0 320.271 1.592 20 5 DDBDRO Cc1ccc(S(=O)(=O)NCC[C@H](C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000594818414 356327098 /nfs/dbraw/zinc/32/70/98/356327098.db2.gz XTXDRIVNQZLTNS-NSHDSACASA-N 1 0 315.395 1.522 20 5 DDBDRO CN1CC[C@H]([NH+]2CCC(Nc3ncccc3[N+](=O)[O-])CC2)C1=O ZINC000594874455 356346630 /nfs/dbraw/zinc/34/66/30/356346630.db2.gz PBVLHXDSMLBEFJ-ZDUSSCGKSA-N 1 0 319.365 1.097 20 5 DDBDRO O=C(Cn1cc([N+](=O)[O-])cn1)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000595226587 356411563 /nfs/dbraw/zinc/41/15/63/356411563.db2.gz VBTOHPNPLAAYII-TZMCWYRMSA-N 1 0 321.381 1.172 20 5 DDBDRO [NH3+][C@@H]1CN(C(=O)CCOc2ccccc2[N+](=O)[O-])CC[C@H]1F ZINC000595260531 356423684 /nfs/dbraw/zinc/42/36/84/356423684.db2.gz BCWPUBJERSDTGE-GHMZBOCLSA-N 1 0 311.313 1.261 20 5 DDBDRO [NH3+][C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC[C@H]1F ZINC000595261431 356424734 /nfs/dbraw/zinc/42/47/34/356424734.db2.gz ZZADLHGAVCCKPI-GHMZBOCLSA-N 1 0 301.705 1.760 20 5 DDBDRO CC(C)[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000595415025 356484186 /nfs/dbraw/zinc/48/41/86/356484186.db2.gz QABMKFGBLWXIPX-ZDUSSCGKSA-N 1 0 313.379 1.213 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](C)c1nccn1C ZINC000595382002 356472996 /nfs/dbraw/zinc/47/29/96/356472996.db2.gz BAHXKCQLWFWTGE-JTQLQIEISA-N 1 0 324.362 1.676 20 5 DDBDRO C[C@@H](NC(=O)N(C)CC1C[NH+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000595480086 356510294 /nfs/dbraw/zinc/51/02/94/356510294.db2.gz IJBSNPBRWVXNJK-LLVKDONJSA-N 1 0 306.366 1.859 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H](CO)C1CCC1 ZINC000595618488 356579896 /nfs/dbraw/zinc/57/98/96/356579896.db2.gz YMQHHJKAOHTOMH-AWEZNQCLSA-N 1 0 307.350 1.592 20 5 DDBDRO C[C@H]1c2ccccc2C[C@H]1[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000595709205 356618149 /nfs/dbraw/zinc/61/81/49/356618149.db2.gz XPHLOVXCJAQZET-SGIREYDYSA-N 1 0 316.361 1.470 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC000595728811 356624975 /nfs/dbraw/zinc/62/49/75/356624975.db2.gz PGGNRDWJKMDCQK-FZMZJTMJSA-N 1 0 319.361 1.704 20 5 DDBDRO C[C@H](O)[C@H]1CCC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000595765015 356643328 /nfs/dbraw/zinc/64/33/28/356643328.db2.gz GBQVTPNZQZGZDI-SMDDNHRTSA-N 1 0 319.361 1.329 20 5 DDBDRO CC[NH2+]CC1CCN(C(=O)c2cc([N+](=O)[O-])cnc2C)CC1 ZINC000237036403 202131304 /nfs/dbraw/zinc/13/13/04/202131304.db2.gz CRICABKNGZEPBX-UHFFFAOYSA-N 1 0 306.366 1.760 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCC3(COC3)C2)c1 ZINC000595835396 356671436 /nfs/dbraw/zinc/67/14/36/356671436.db2.gz PBWNQLQXYMITQG-ZDUSSCGKSA-N 1 0 308.334 1.057 20 5 DDBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H]3COC[C@@H]3C2)c2c(c1)COCO2 ZINC000595830710 356667941 /nfs/dbraw/zinc/66/79/41/356667941.db2.gz LGUJHLHFENSEBX-RISCZKNCSA-N 1 0 320.345 1.930 20 5 DDBDRO [NH3+][C@@H]1CN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC[C@H]1F ZINC000595905323 356700234 /nfs/dbraw/zinc/70/02/34/356700234.db2.gz BRCLYFBWWVYADL-MCIONIFRSA-N 1 0 322.340 1.071 20 5 DDBDRO C[NH2+]C1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000237140838 202163520 /nfs/dbraw/zinc/16/35/20/202163520.db2.gz HPRPFMGPCLCSJB-UHFFFAOYSA-N 1 0 303.322 1.295 20 5 DDBDRO C[NH2+]C[C@H](C)NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000595981845 356734764 /nfs/dbraw/zinc/73/47/64/356734764.db2.gz FVOITBMTHLDYFQ-JTQLQIEISA-N 1 0 303.322 1.118 20 5 DDBDRO C[NH+](C)[C@@]1(CNc2c(Cl)cncc2[N+](=O)[O-])CCSC1 ZINC000596149818 356791934 /nfs/dbraw/zinc/79/19/34/356791934.db2.gz RODXDMZQWYHUDJ-GFCCVEGCSA-N 1 0 316.814 1.914 20 5 DDBDRO CCN(C(=O)NCc1cccc([N+](=O)[O-])c1)[C@H]1CC[N@H+](C)C1 ZINC000596209672 356815491 /nfs/dbraw/zinc/81/54/91/356815491.db2.gz BAZICVRZUKBSFR-AWEZNQCLSA-N 1 0 306.366 1.830 20 5 DDBDRO C[NH+](C)CCOC1CCN(c2ccc(N)c([N+](=O)[O-])n2)CC1 ZINC000596125230 356782334 /nfs/dbraw/zinc/78/23/34/356782334.db2.gz MSDULPVIIORQOU-UHFFFAOYSA-N 1 0 309.370 1.119 20 5 DDBDRO COc1cc(C(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)ccc1[N+](=O)[O-] ZINC000237237247 202199564 /nfs/dbraw/zinc/19/95/64/202199564.db2.gz RQYOXQGHXAQJIZ-CMPLNLGQSA-N 1 0 307.350 1.803 20 5 DDBDRO CC1(C)Cc2n[nH]cc2C[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000596599707 356930169 /nfs/dbraw/zinc/93/01/69/356930169.db2.gz WPCQLHVQQVHNMP-UHFFFAOYSA-N 1 0 304.354 1.599 20 5 DDBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N[C@@H]1CC12CC[NH2+]CC2 ZINC000597439977 357176059 /nfs/dbraw/zinc/17/60/59/357176059.db2.gz KEBBXURHWGGRJC-CYBMUJFWSA-N 1 0 304.350 1.536 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000598668629 357678142 /nfs/dbraw/zinc/67/81/42/357678142.db2.gz CKYGGRFWZHEAGF-ZUZCIYMTSA-N 1 0 305.334 1.557 20 5 DDBDRO COC(=O)c1ccnc(N[C@@H](C)C[N@H+](C)C(C)C)c1[N+](=O)[O-] ZINC000598626725 357660644 /nfs/dbraw/zinc/66/06/44/357660644.db2.gz HHNRPKVIMDXJDY-JTQLQIEISA-N 1 0 310.354 1.917 20 5 DDBDRO Cc1ccc(S(=O)(=O)NC[C@H](C)C[NH3+])c(C)c1[N+](=O)[O-] ZINC000598713332 357700721 /nfs/dbraw/zinc/70/07/21/357700721.db2.gz AYWATVGPACEZAX-MRVPVSSYSA-N 1 0 301.368 1.085 20 5 DDBDRO [NH3+][C@@]12CCC[C@@H]1CN(S(=O)(=O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000598717979 357702379 /nfs/dbraw/zinc/70/23/79/357702379.db2.gz APNQDUVEUAOTFN-ZWNOBZJWSA-N 1 0 311.363 1.097 20 5 DDBDRO COC(=O)CCCC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000599325621 357895139 /nfs/dbraw/zinc/89/51/39/357895139.db2.gz HXQXQTYZYXMGSU-GFCCVEGCSA-N 1 0 322.365 1.819 20 5 DDBDRO NS(=O)(=O)CCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000179520517 199049228 /nfs/dbraw/zinc/04/92/28/199049228.db2.gz XRNIGYMYXRVINK-UHFFFAOYSA-N 1 0 313.379 1.238 20 5 DDBDRO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000599652486 358008768 /nfs/dbraw/zinc/00/87/68/358008768.db2.gz NFGKZWFTSHIWBC-WAAGHKOSSA-N 1 0 303.322 1.167 20 5 DDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCCOCCC[NH3+] ZINC000599934492 358084634 /nfs/dbraw/zinc/08/46/34/358084634.db2.gz PRGUCEZASXYLAT-UHFFFAOYSA-N 1 0 310.354 1.102 20 5 DDBDRO [NH3+]C[C@H]1CN(CCn2cc([N+](=O)[O-])cn2)CC[C@@H]1C(F)(F)F ZINC000600724833 358296953 /nfs/dbraw/zinc/29/69/53/358296953.db2.gz IITNUTNBIJGGJC-ONGXEEELSA-N 1 0 321.303 1.250 20 5 DDBDRO C[NH2+]CCOCCN(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000600730734 358299572 /nfs/dbraw/zinc/29/95/72/358299572.db2.gz NFBCPWKPJQWBQN-UHFFFAOYSA-N 1 0 324.381 1.010 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CC[C@@H]1CCCOC1 ZINC000600743628 358304674 /nfs/dbraw/zinc/30/46/74/358304674.db2.gz KJQZHTQWRQTVRW-KBPBESRZSA-N 1 0 324.377 1.741 20 5 DDBDRO CC1(C)CCC[C@H]1CC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000600747479 358305976 /nfs/dbraw/zinc/30/59/76/358305976.db2.gz XPLMXDSGTJENLD-GXTWGEPZSA-N 1 0 310.398 1.958 20 5 DDBDRO Cc1ncccc1C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000600764110 358310802 /nfs/dbraw/zinc/31/08/02/358310802.db2.gz XTOFHHWDMFRWAA-CQSZACIVSA-N 1 0 317.345 1.828 20 5 DDBDRO CCC(F)(F)C(C)(C)C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000600764140 358310808 /nfs/dbraw/zinc/31/08/08/358310808.db2.gz YDDMEWTTYHWSFM-NSHDSACASA-N 1 0 320.340 1.813 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000237421782 202261028 /nfs/dbraw/zinc/26/10/28/202261028.db2.gz UYWDJPZWIXOQGR-JQWIXIFHSA-N 1 0 309.370 1.218 20 5 DDBDRO O=[N+]([O-])c1ccc2nccc(N3CCC[N@@H+](CCO)CC3)c2c1 ZINC000601115032 358408349 /nfs/dbraw/zinc/40/83/49/358408349.db2.gz XWSPAHMRYVDZED-UHFFFAOYSA-N 1 0 316.361 1.647 20 5 DDBDRO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CCC[N@H+](C)CC1 ZINC000601100605 358401918 /nfs/dbraw/zinc/40/19/18/358401918.db2.gz VXSLREOSNYJULS-UHFFFAOYSA-N 1 0 307.276 1.489 20 5 DDBDRO O=[N+]([O-])c1cc(F)cnc1N1CCN(c2cc[nH+]cc2)CC1 ZINC000601101402 358403111 /nfs/dbraw/zinc/40/31/11/358403111.db2.gz QSQSGQMPBNLAOW-UHFFFAOYSA-N 1 0 303.297 1.851 20 5 DDBDRO O=[N+]([O-])c1cc(F)cnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000601126585 358413697 /nfs/dbraw/zinc/41/36/97/358413697.db2.gz VCUJFQYFYTVOQU-NSHDSACASA-N 1 0 310.329 1.287 20 5 DDBDRO CC[C@@H]1C[N@H+](C)CCCN1c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000601189386 358440026 /nfs/dbraw/zinc/44/00/26/358440026.db2.gz QPAQAWFKLAFQHS-LLVKDONJSA-N 1 0 306.366 1.614 20 5 DDBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000181066803 199247548 /nfs/dbraw/zinc/24/75/48/199247548.db2.gz VQYLMASHKWVQSF-LLVKDONJSA-N 1 0 306.366 1.781 20 5 DDBDRO COc1ccc(C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cc1[N+](=O)[O-] ZINC000601972888 358759982 /nfs/dbraw/zinc/75/99/82/358759982.db2.gz AEJZXRFVPONBGN-IYBDPMFKSA-N 1 0 319.361 1.675 20 5 DDBDRO COc1cc(C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)ccc1[N+](=O)[O-] ZINC000601972911 358760124 /nfs/dbraw/zinc/76/01/24/358760124.db2.gz ANCJQGJKQHDHTN-IYBDPMFKSA-N 1 0 319.361 1.675 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@H]([NH+](C)C)C1(C)C ZINC000602175219 358864329 /nfs/dbraw/zinc/86/43/29/358864329.db2.gz XGKIGDYNDHYGCG-STQMWFEESA-N 1 0 306.366 1.757 20 5 DDBDRO CO[C@@H](C)CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602532652 359031001 /nfs/dbraw/zinc/03/10/01/359031001.db2.gz ZJZCNOCVWAMOEA-LBPRGKRZSA-N 1 0 308.382 1.973 20 5 DDBDRO CCN(CC[NH3+])C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000602533827 359031652 /nfs/dbraw/zinc/03/16/52/359031652.db2.gz FASYEKXBDQSETG-UHFFFAOYSA-N 1 0 316.155 1.778 20 5 DDBDRO C[NH2+]CCOCCN(C)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000602549079 359039301 /nfs/dbraw/zinc/03/93/01/359039301.db2.gz QUTDAAJDZCPZEQ-UHFFFAOYSA-N 1 0 315.757 1.556 20 5 DDBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)CN1CC[NH2+]CC1 ZINC000602446283 358982587 /nfs/dbraw/zinc/98/25/87/358982587.db2.gz ALLMVXQJGFNRLQ-UHFFFAOYSA-N 1 0 320.393 1.237 20 5 DDBDRO COC[C@]1(CNC(=O)c2c(F)cccc2[N+](=O)[O-])CCC[NH2+]1 ZINC000602492989 359013712 /nfs/dbraw/zinc/01/37/12/359013712.db2.gz VMPREIUIJHSNCS-CQSZACIVSA-N 1 0 311.313 1.232 20 5 DDBDRO C/C=C\C[C@H](CO)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602620055 359079006 /nfs/dbraw/zinc/07/90/06/359079006.db2.gz SOWYUDOGMFTRKA-PYLYLYNFSA-N 1 0 320.393 1.875 20 5 DDBDRO C[C@@H](CC[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)[S@](C)=O ZINC000602595360 359060731 /nfs/dbraw/zinc/06/07/31/359060731.db2.gz WMFUEXPDRHUGFH-FPVGNUTFSA-N 1 0 311.363 1.983 20 5 DDBDRO COC(=O)[C@@H]1CCCC[C@@]1(C)[NH2+]CCn1c(C)ncc1[N+](=O)[O-] ZINC000602794543 359196759 /nfs/dbraw/zinc/19/67/59/359196759.db2.gz IGYXTCLCGHBYJY-SWLSCSKDSA-N 1 0 324.381 1.811 20 5 DDBDRO C[C@]12C[NH+](Cc3c(F)cccc3[N+](=O)[O-])C[C@]1(C)C(=O)NC2=O ZINC000602934747 359304377 /nfs/dbraw/zinc/30/43/77/359304377.db2.gz JHJRYDDKHIYJOY-HUUCEWRRSA-N 1 0 321.308 1.219 20 5 DDBDRO CC[NH+](CC)[C@H]1CCN(C(=O)Nc2c(C)cncc2[N+](=O)[O-])C1 ZINC000602953629 359319284 /nfs/dbraw/zinc/31/92/84/359319284.db2.gz BTXFXHWYHHVWJA-LBPRGKRZSA-N 1 0 321.381 1.668 20 5 DDBDRO CC(C)[NH+]1CCC(N(C)C(=O)c2cc([N+](=O)[O-])cn2C)CC1 ZINC000603049766 359377121 /nfs/dbraw/zinc/37/71/21/359377121.db2.gz AKZDEUXBEJJIDM-UHFFFAOYSA-N 1 0 308.382 1.878 20 5 DDBDRO CSC[C@H](O)C[NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602961778 359325006 /nfs/dbraw/zinc/32/50/06/359325006.db2.gz CQFFOHMIZIKMSO-OLZOCXBDSA-N 1 0 300.380 1.116 20 5 DDBDRO O=[N+]([O-])c1cc(F)ccc1Cn1cc(C2CC[NH2+]CC2)nn1 ZINC000603224927 359495996 /nfs/dbraw/zinc/49/59/96/359495996.db2.gz VMQNQAPBTIAPLP-UHFFFAOYSA-N 1 0 305.313 1.841 20 5 DDBDRO O=[N+]([O-])c1cc(F)c(Cn2cc(C[C@H]3CC[NH2+]C3)nn2)c(F)c1 ZINC000603247030 359513260 /nfs/dbraw/zinc/51/32/60/359513260.db2.gz IDLWWFKATPTJIJ-SECBINFHSA-N 1 0 323.303 1.665 20 5 DDBDRO O=[N+]([O-])c1ccccc1OCc1cn(CC2CC[NH2+]CC2)nn1 ZINC000603263748 359526063 /nfs/dbraw/zinc/52/60/63/359526063.db2.gz GHGNSPQJWJTFHH-UHFFFAOYSA-N 1 0 317.349 1.765 20 5 DDBDRO [NH3+]CC[C@@H]1CCCCN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000070149400 283443063 /nfs/dbraw/zinc/44/30/63/283443063.db2.gz DYHVGVBMLODRDT-NSHDSACASA-N 1 0 313.379 1.487 20 5 DDBDRO O=[N+]([O-])c1cnccc1NC1CC[NH+](C2CCOCC2)CC1 ZINC000603409122 359622792 /nfs/dbraw/zinc/62/27/92/359622792.db2.gz SIXHSNMTFYLFDR-UHFFFAOYSA-N 1 0 306.366 1.467 20 5 DDBDRO Cn1cc(CN2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)c([N+](=O)[O-])n1 ZINC000603429702 359635531 /nfs/dbraw/zinc/63/55/31/359635531.db2.gz PHURJHUKGGHWEX-KBPBESRZSA-N 1 0 323.397 1.047 20 5 DDBDRO C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1CCO ZINC000187688144 200145139 /nfs/dbraw/zinc/14/51/39/200145139.db2.gz LFKFMYYOLJLXNB-NSHDSACASA-N 1 0 313.785 1.747 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000237577368 202289822 /nfs/dbraw/zinc/28/98/22/202289822.db2.gz DZDUZUGLNNDKJA-LBPRGKRZSA-N 1 0 309.370 1.124 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000604467915 359753579 /nfs/dbraw/zinc/75/35/79/359753579.db2.gz ZNVPXAMLXVSAON-LBPRGKRZSA-N 1 0 306.366 1.634 20 5 DDBDRO COC(=O)c1cc(NC(=O)[C@H]2C[C@H](F)C[NH2+]2)cc([N+](=O)[O-])c1 ZINC000188369859 200234821 /nfs/dbraw/zinc/23/48/21/200234821.db2.gz DSMBLZBUANZCLQ-GZMMTYOYSA-N 1 0 311.269 1.020 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC1(C[NH+](C)C)CCC1 ZINC000281168060 216126104 /nfs/dbraw/zinc/12/61/04/216126104.db2.gz XMOLODNKBPCMES-UHFFFAOYSA-N 1 0 309.370 1.090 20 5 DDBDRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNc1cccnc1[N+](=O)[O-] ZINC000608779270 360240962 /nfs/dbraw/zinc/24/09/62/360240962.db2.gz MUTWVFXAFSEGKP-ZDUSSCGKSA-N 1 0 321.381 1.344 20 5 DDBDRO CN1CCC([N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])nc3)C2)CC1 ZINC000609802169 360351475 /nfs/dbraw/zinc/35/14/75/360351475.db2.gz BZFHBTDBOUNCKP-CYBMUJFWSA-N 1 0 305.382 1.570 20 5 DDBDRO C[N@@H+]1CC[C@H](C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000610070454 360377801 /nfs/dbraw/zinc/37/78/01/360377801.db2.gz AHJHMTNPUKMGBC-AWEZNQCLSA-N 1 0 305.378 1.985 20 5 DDBDRO CC[N@@H+]1CCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000611092510 360621285 /nfs/dbraw/zinc/62/12/85/360621285.db2.gz WSYSCHAEXGWCKF-ZDUSSCGKSA-N 1 0 320.393 1.584 20 5 DDBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000611296530 360693158 /nfs/dbraw/zinc/69/31/58/360693158.db2.gz OBTRIUBXJWHWSQ-OAHLLOKOSA-N 1 0 320.393 1.989 20 5 DDBDRO C[C@@H](O)[C@H]1CC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611561472 360759952 /nfs/dbraw/zinc/75/99/52/360759952.db2.gz JKYVDYALLWVJPW-MNOVXSKESA-N 1 0 308.334 1.569 20 5 DDBDRO C[NH+](C)C[C@@H]1CCN(c2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC000611709263 360800918 /nfs/dbraw/zinc/80/09/18/360800918.db2.gz RZOYPXIQUQXNOO-NSHDSACASA-N 1 0 301.350 1.926 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C1(CO)CCCCC1 ZINC000612103063 360919550 /nfs/dbraw/zinc/91/95/50/360919550.db2.gz QPOJLRZWIFSYBU-CYBMUJFWSA-N 1 0 324.377 1.619 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@@H](C)C[NH+](C)C ZINC000292688285 223202913 /nfs/dbraw/zinc/20/29/13/223202913.db2.gz QAIVFHAVESPPKW-SNVBAGLBSA-N 1 0 315.395 1.379 20 5 DDBDRO C[C@H]([NH3+])CCC(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000193317778 201028583 /nfs/dbraw/zinc/02/85/83/201028583.db2.gz OXEBWUBDIWYUDM-QWRGUYRKSA-N 1 0 307.354 1.130 20 5 DDBDRO C[N@H+]1C[C@H]2CN(Cc3nc4cc([N+](=O)[O-])ccc4o3)C[C@H]2C1 ZINC000618763285 363753399 /nfs/dbraw/zinc/75/33/99/363753399.db2.gz IQVCYOQWVBQAOO-PHIMTYICSA-N 1 0 302.334 1.729 20 5 DDBDRO C[NH+](C)CCN1CCC(Nc2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000193384463 201043347 /nfs/dbraw/zinc/04/33/47/201043347.db2.gz DXWIBLTZMSNBKB-UHFFFAOYSA-N 1 0 307.398 1.615 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NCc1ccccc1C[NH+](C)C ZINC000618895105 363787116 /nfs/dbraw/zinc/78/71/16/363787116.db2.gz VRZJNXNDJCNZIY-UHFFFAOYSA-N 1 0 316.361 1.925 20 5 DDBDRO CCCN(CC[NH+](CC)CC)C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000194010931 201161932 /nfs/dbraw/zinc/16/19/32/201161932.db2.gz RWFUKJPFAZWAHV-UHFFFAOYSA-N 1 0 324.381 1.889 20 5 DDBDRO CCC[N@@H+]1CC[C@H](CNc2cc(N)c([N+](=O)[O-])c(CO)c2)C1 ZINC000613919919 361631697 /nfs/dbraw/zinc/63/16/97/361631697.db2.gz YRUPOGBSJVXKLP-LLVKDONJSA-N 1 0 308.382 1.813 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)n1 ZINC000566206489 304128708 /nfs/dbraw/zinc/12/87/08/304128708.db2.gz CFMKNTNARLPTMX-ZACCUICWSA-N 1 0 307.354 1.166 20 5 DDBDRO COc1cc(OCC(=O)N[C@H](C)C[C@@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000566258682 304134731 /nfs/dbraw/zinc/13/47/31/304134731.db2.gz ZXRCHWNXFXFJFS-NXEZZACHSA-N 1 0 311.338 1.224 20 5 DDBDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000249732995 202812912 /nfs/dbraw/zinc/81/29/12/202812912.db2.gz BSDYXMVATFXHMZ-XQQFMLRXSA-N 1 0 323.397 1.274 20 5 DDBDRO CC(C)[N@H+](C)C[C@H](C)NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000349774540 284047851 /nfs/dbraw/zinc/04/78/51/284047851.db2.gz IKSMEBMMOAPEGN-NSHDSACASA-N 1 0 315.395 1.602 20 5 DDBDRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000349919104 284105975 /nfs/dbraw/zinc/10/59/75/284105975.db2.gz GBIABWHROMEUFH-LBPRGKRZSA-N 1 0 324.381 1.496 20 5 DDBDRO C[NH2+][C@H]1CCCN(C(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)C1 ZINC000261815867 203124927 /nfs/dbraw/zinc/12/49/27/203124927.db2.gz XHAOMRAKJWJVBU-NSHDSACASA-N 1 0 323.349 1.436 20 5 DDBDRO Cc1nn(CCC(=O)N2CC[C@@H](C)C[C@@H]2C[NH3+])c(C)c1[N+](=O)[O-] ZINC000261879402 203141926 /nfs/dbraw/zinc/14/19/26/203141926.db2.gz TXDFTPKEQGVHAJ-ZWNOBZJWSA-N 1 0 323.397 1.384 20 5 DDBDRO CCC[N@H+](CC)CCNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000350036449 284136519 /nfs/dbraw/zinc/13/65/19/284136519.db2.gz USLMFHBIQUFAHK-UHFFFAOYSA-N 1 0 311.386 1.375 20 5 DDBDRO COc1ccc(C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000262438956 203294530 /nfs/dbraw/zinc/29/45/30/203294530.db2.gz GQADQCDIFNCWIP-VXGBXAGGSA-N 1 0 305.334 1.285 20 5 DDBDRO C[C@@H]([NH2+][C@@H](C)CN1CCOCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293592123 296147416 /nfs/dbraw/zinc/14/74/16/296147416.db2.gz FMOSVVVOJTYZON-NWDGAFQWSA-N 1 0 308.382 1.548 20 5 DDBDRO CN(CC(C)(C)C[NH3+])S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000093873811 193322430 /nfs/dbraw/zinc/32/24/30/193322430.db2.gz XHBBVSZKVCSBDT-UHFFFAOYSA-N 1 0 301.368 1.200 20 5 DDBDRO CCCc1n[nH]c(C(=O)NCCC[N@H+](C)C(C)C)c1[N+](=O)[O-] ZINC000264593991 204016688 /nfs/dbraw/zinc/01/66/88/204016688.db2.gz GDMNGTQCMLKAJL-UHFFFAOYSA-N 1 0 311.386 1.731 20 5 DDBDRO C[C@H](Cn1cccn1)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000265056435 204368915 /nfs/dbraw/zinc/36/89/15/204368915.db2.gz LBSWPUXRZFAIKW-GFCCVEGCSA-N 1 0 317.349 1.798 20 5 DDBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000293397522 223522008 /nfs/dbraw/zinc/52/20/08/223522008.db2.gz MHVPSGUIQWWEOP-CHWSQXEVSA-N 1 0 319.361 1.574 20 5 DDBDRO C[C@H](CN1CCOCC1)[N@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000282495212 217039239 /nfs/dbraw/zinc/03/92/39/217039239.db2.gz MXTIWGWHJQHXDP-GFCCVEGCSA-N 1 0 311.357 1.886 20 5 DDBDRO CC[C@H](O)C[NH+]1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000266235968 205205863 /nfs/dbraw/zinc/20/58/63/205205863.db2.gz KKQVOYDPNINMBV-ZDUSSCGKSA-N 1 0 309.366 1.496 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)CC[NH+](C)C ZINC000266243808 205211122 /nfs/dbraw/zinc/21/11/22/205211122.db2.gz WOAOHJDTWSAHRC-NSHDSACASA-N 1 0 315.395 1.522 20 5 DDBDRO CCN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2OC)[C@@H](C)C1 ZINC000288403712 220135931 /nfs/dbraw/zinc/13/59/31/220135931.db2.gz LHQIHRJATASARS-NSHDSACASA-N 1 0 307.350 1.770 20 5 DDBDRO Cc1ccc(NCCCNC(=O)[C@@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000161542687 197502461 /nfs/dbraw/zinc/50/24/61/197502461.db2.gz BOVNPAMDFHWTGF-CYBMUJFWSA-N 1 0 320.393 1.821 20 5 DDBDRO CC[N@@H+]1CCN(C(=O)COc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000288484433 220171896 /nfs/dbraw/zinc/17/18/96/220171896.db2.gz PLSCFGJPNHVFSX-LBPRGKRZSA-N 1 0 307.350 1.526 20 5 DDBDRO C[NH+](C)CCN(Cc1ccco1)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000268007700 206390645 /nfs/dbraw/zinc/39/06/45/206390645.db2.gz OVSCUVUYOZYWNC-UHFFFAOYSA-N 1 0 306.322 1.720 20 5 DDBDRO CS[C@@H]1CN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C[C@H]1[NH+](C)C ZINC000270519540 248621012 /nfs/dbraw/zinc/62/10/12/248621012.db2.gz SPLVRQLCNQGSHG-CHWSQXEVSA-N 1 0 324.406 1.295 20 5 DDBDRO CC[NH+](CC)C[C@@H](C)Nc1nc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000336860031 249267668 /nfs/dbraw/zinc/26/76/68/249267668.db2.gz MXNKQWRNDXQXMS-SNVBAGLBSA-N 1 0 310.354 1.919 20 5 DDBDRO CC1CC[NH+](C[C@@H](O)CNC(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000337013034 249315107 /nfs/dbraw/zinc/31/51/07/249315107.db2.gz IQMAOBUYBUPMLB-ZDUSSCGKSA-N 1 0 321.377 1.417 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@H]2CCCC[C@H]2OC(F)F)n1 ZINC000337403911 249480169 /nfs/dbraw/zinc/48/01/69/249480169.db2.gz KYHMKVJBZUVHEM-VHSXEESVSA-N 1 0 304.297 1.931 20 5 DDBDRO C[NH+](C)C[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000274002883 211261484 /nfs/dbraw/zinc/26/14/84/211261484.db2.gz UABJTLHGWBRTOX-GFCCVEGCSA-N 1 0 313.379 1.310 20 5 DDBDRO NC(=O)c1ccc(C[N@@H+]2CCC[C@H]2[C@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000284795935 218180912 /nfs/dbraw/zinc/18/09/12/218180912.db2.gz OGZBJKJROSBOJF-DZGCQCFKSA-N 1 0 319.361 1.837 20 5 DDBDRO C[C@H](O)C[NH+]1CCC(CN(C)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000105791796 194129611 /nfs/dbraw/zinc/12/96/11/194129611.db2.gz ZPEXFNKTIRVQBT-LBPRGKRZSA-N 1 0 308.382 1.519 20 5 DDBDRO Cc1cccc(C(=O)N[C@H](CO)C[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000288586648 220264925 /nfs/dbraw/zinc/26/49/25/220264925.db2.gz RZZZOJCVGVRYCN-ZDUSSCGKSA-N 1 0 321.377 1.480 20 5 DDBDRO COc1ccc(C[N@@H+]2CCCC[C@H]2CC(N)=O)cc1[N+](=O)[O-] ZINC000339137939 250309659 /nfs/dbraw/zinc/30/96/59/250309659.db2.gz XMHMPHJXGROSAX-LBPRGKRZSA-N 1 0 307.350 1.833 20 5 DDBDRO Cc1nn(C)c(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)c1[N+](=O)[O-] ZINC000106786755 194251924 /nfs/dbraw/zinc/25/19/24/194251924.db2.gz JXKQSIOHIHFUAJ-LLVKDONJSA-N 1 0 321.381 1.383 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC[C@H]([NH+](C)C)C1 ZINC000109808056 194288810 /nfs/dbraw/zinc/28/88/10/194288810.db2.gz IFGAZMWNCCWKGI-AWEZNQCLSA-N 1 0 320.393 1.868 20 5 DDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@H]2CC[C@H](CO)O2)n1 ZINC000340411168 251053444 /nfs/dbraw/zinc/05/34/44/251053444.db2.gz DDYLXYDAFKTFCR-YIYPIFLZSA-N 1 0 324.381 1.405 20 5 DDBDRO C[C@H](NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[C@@H]1CCC[NH2+]C1 ZINC000269159270 207283650 /nfs/dbraw/zinc/28/36/50/207283650.db2.gz APJHZENUJBSFQX-VHSXEESVSA-N 1 0 317.349 1.589 20 5 DDBDRO COC[C@@]1(CNC(=O)Nc2ccc([N+](=O)[O-])cc2C)CCC[NH2+]1 ZINC000415504889 532955419 /nfs/dbraw/zinc/95/54/19/532955419.db2.gz PTOFBZBANQNSSL-HNNXBMFYSA-N 1 0 322.365 1.793 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@H](Oc3ccncc3)C2)c1 ZINC000120191410 195115199 /nfs/dbraw/zinc/11/51/99/195115199.db2.gz NQOXFRWBZBJENN-AWEZNQCLSA-N 1 0 303.322 1.340 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1CN1C[C@H](C)[N@H+](CCO)C[C@@H]1C ZINC000419350882 533137306 /nfs/dbraw/zinc/13/73/06/533137306.db2.gz ZYWFAGMMRKAWIR-STQMWFEESA-N 1 0 323.393 1.490 20 5 DDBDRO CC[NH+]1CCC(NC(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 ZINC000120541029 195186600 /nfs/dbraw/zinc/18/66/00/195186600.db2.gz AQLDCBRVCABVJB-UHFFFAOYSA-N 1 0 320.393 1.921 20 5 DDBDRO C[NH+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000120864353 195253756 /nfs/dbraw/zinc/25/37/56/195253756.db2.gz FTWOWKSWAQXUSI-UHFFFAOYSA-N 1 0 307.759 1.088 20 5 DDBDRO Cc1ccc(NC(=O)NC[C@H]2C[NH2+]CCCO2)cc1[N+](=O)[O-] ZINC000414655377 224368382 /nfs/dbraw/zinc/36/83/82/224368382.db2.gz HGWGLXUOCLLESC-GFCCVEGCSA-N 1 0 308.338 1.403 20 5 DDBDRO CCN1CC[NH+](C[C@H](C)CNc2nc(C)ccc2[N+](=O)[O-])CC1 ZINC000121625087 195319822 /nfs/dbraw/zinc/31/98/22/195319822.db2.gz BFVHPNCNYMQYKK-CYBMUJFWSA-N 1 0 321.425 1.984 20 5 DDBDRO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(c2ncc([N+](=O)[O-])c(C)n2)C1 ZINC000295652279 533285339 /nfs/dbraw/zinc/28/53/39/533285339.db2.gz GNBOMTOUIUYPKW-STQMWFEESA-N 1 0 321.381 1.383 20 5 DDBDRO C[C@@H](NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)[C@H](C)[NH3+] ZINC000449585300 533305515 /nfs/dbraw/zinc/30/55/15/533305515.db2.gz FWYLQIBVOYJDNC-VHSXEESVSA-N 1 0 303.322 1.246 20 5 DDBDRO COc1cccc(C(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)c1[N+](=O)[O-] ZINC000422762913 533414175 /nfs/dbraw/zinc/41/41/75/533414175.db2.gz NBXKNNODPCMNHE-QWRGUYRKSA-N 1 0 307.350 1.721 20 5 DDBDRO COC(=O)[C@](C)(O)C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451547225 533570172 /nfs/dbraw/zinc/57/01/72/533570172.db2.gz KOXZQPCGCBWWTQ-CZUORRHYSA-N 1 0 322.361 1.698 20 5 DDBDRO COc1cc(C)ccc1C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000568381916 304289427 /nfs/dbraw/zinc/28/94/27/304289427.db2.gz DWTXKRQTKFKLKY-CQSZACIVSA-N 1 0 320.349 1.259 20 5 DDBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000568512664 304297080 /nfs/dbraw/zinc/29/70/80/304297080.db2.gz BVZGEKIYWNXMNC-QWRGUYRKSA-N 1 0 317.349 1.636 20 5 DDBDRO C[C@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000070173605 406810859 /nfs/dbraw/zinc/81/08/59/406810859.db2.gz ANCCUTYBBFLEHV-WDEREUQCSA-N 1 0 313.379 1.343 20 5 DDBDRO C[C@H]1CCC[N@H+](CCCCNC(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000046990347 407068511 /nfs/dbraw/zinc/06/85/11/407068511.db2.gz DNFCRLQFYYLAQC-ZDUSSCGKSA-N 1 0 323.397 1.420 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123492705 407330373 /nfs/dbraw/zinc/33/03/73/407330373.db2.gz CFWJLSFMUFSWES-ZYHUDNBSSA-N 1 0 309.370 1.041 20 5 DDBDRO Cc1nn(C)c(C(=O)NCCC[N@H+]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000123689927 407336561 /nfs/dbraw/zinc/33/65/61/407336561.db2.gz XGHWPKDJYVCAMC-LLVKDONJSA-N 1 0 323.397 1.631 20 5 DDBDRO Cc1nn(C)c(C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000107599567 407377003 /nfs/dbraw/zinc/37/70/03/407377003.db2.gz XMOPOTVEUHYPQQ-GFCCVEGCSA-N 1 0 321.381 1.337 20 5 DDBDRO C[N@@H+]1CCC[C@H](CNC(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000108341539 407384619 /nfs/dbraw/zinc/38/46/19/407384619.db2.gz GJQQWLLMPAUIDF-GFCCVEGCSA-N 1 0 307.350 1.432 20 5 DDBDRO O=[N+]([O-])c1ccc(CN2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000178492801 407473372 /nfs/dbraw/zinc/47/33/72/407473372.db2.gz YOYFNIWJLUYDNJ-OAHLLOKOSA-N 1 0 305.378 1.749 20 5 DDBDRO COC[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000265802582 407462492 /nfs/dbraw/zinc/46/24/92/407462492.db2.gz OGFHGEREPAZNLK-LBPRGKRZSA-N 1 0 307.350 1.892 20 5 DDBDRO CN(CC1CC[NH+](C)CC1)C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000170851259 407532242 /nfs/dbraw/zinc/53/22/42/407532242.db2.gz FIZHHEZJJYVMMS-UHFFFAOYSA-N 1 0 306.366 1.591 20 5 DDBDRO C[C@H]([NH2+]CCC(=O)N1CCN(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000178674092 407540053 /nfs/dbraw/zinc/54/00/53/407540053.db2.gz VFBHUMGLXGZOMM-ZDUSSCGKSA-N 1 0 320.393 1.410 20 5 DDBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@H](C[NH+](C)C)C1 ZINC000114198584 407550351 /nfs/dbraw/zinc/55/03/51/407550351.db2.gz LJYISSVNYGBVAT-QWHCGFSZSA-N 1 0 320.393 1.805 20 5 DDBDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000271339260 407643170 /nfs/dbraw/zinc/64/31/70/407643170.db2.gz CIUTTXXTHJYPHS-LLVKDONJSA-N 1 0 309.370 1.323 20 5 DDBDRO Cc1ccnc(N(C)CC2CC[NH+](C[C@@H](C)O)CC2)c1[N+](=O)[O-] ZINC000115517145 407688318 /nfs/dbraw/zinc/68/83/18/407688318.db2.gz PWCHYNKUNRLYCV-CYBMUJFWSA-N 1 0 322.409 1.827 20 5 DDBDRO Nc1c(C(=O)N(C[C@@H]2CCC[NH2+]2)C2CC2)cccc1[N+](=O)[O-] ZINC000186547999 407701050 /nfs/dbraw/zinc/70/10/50/407701050.db2.gz GKVZUTVVMXIBPE-JTQLQIEISA-N 1 0 304.350 1.534 20 5 DDBDRO O=[N+]([O-])c1ccc(CN2CC[C@@H](C[NH+]3CCOCC3)C2)c(F)c1 ZINC000267006356 407713913 /nfs/dbraw/zinc/71/39/13/407713913.db2.gz FWUSDYFCYDSLTL-ZDUSSCGKSA-N 1 0 323.368 1.888 20 5 DDBDRO CN(CC[N@H+](C)C1CC1)C(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000186713432 407753765 /nfs/dbraw/zinc/75/37/65/407753765.db2.gz IISVSFPLNQNLCN-UHFFFAOYSA-N 1 0 310.329 1.482 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000133353211 407831931 /nfs/dbraw/zinc/83/19/31/407831931.db2.gz MOUIZIYRVPZFRR-LBPRGKRZSA-N 1 0 321.381 1.090 20 5 DDBDRO COC[C@]1(CNC(=O)c2ccc([N+](=O)[O-])cc2C)CCC[NH2+]1 ZINC000262428455 407834265 /nfs/dbraw/zinc/83/42/65/407834265.db2.gz FQLZFSAJKAEINQ-OAHLLOKOSA-N 1 0 307.350 1.402 20 5 DDBDRO Cc1nn(C[C@H](O)C[N@@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000179858431 407838590 /nfs/dbraw/zinc/83/85/90/407838590.db2.gz IFLRJGCOLSEDER-OAHLLOKOSA-N 1 0 316.361 1.519 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[NH2+][C@H](C)[C@H]1C ZINC000262736779 407911817 /nfs/dbraw/zinc/91/18/17/407911817.db2.gz APWIFLGJHGNOMY-GHMZBOCLSA-N 1 0 313.379 1.274 20 5 DDBDRO CN(CC(C)(C)C[NH3+])C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000262581014 407874972 /nfs/dbraw/zinc/87/49/72/407874972.db2.gz JHALITNGSZQKCI-UHFFFAOYSA-N 1 0 309.366 1.807 20 5 DDBDRO C[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H](C)[NH2+]1 ZINC000153702055 407883199 /nfs/dbraw/zinc/88/31/99/407883199.db2.gz SNIUDIBIPJOIFH-AOOOYVTPSA-N 1 0 311.769 2.000 20 5 DDBDRO O=C(C1CC[NH2+]CC1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000238106126 407890177 /nfs/dbraw/zinc/89/01/77/407890177.db2.gz YODJEBKUEDRQOH-UHFFFAOYSA-N 1 0 318.377 1.243 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[NH2+][C@H](C)[C@@H]1C ZINC000262736781 407912932 /nfs/dbraw/zinc/91/29/32/407912932.db2.gz APWIFLGJHGNOMY-MNOVXSKESA-N 1 0 313.379 1.274 20 5 DDBDRO CC[N@H+](CCO)CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000118835299 407950208 /nfs/dbraw/zinc/95/02/08/407950208.db2.gz YJIBKXRVLCQGJW-UHFFFAOYSA-N 1 0 311.338 1.246 20 5 DDBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])cnc2C)C1 ZINC000174518104 407957703 /nfs/dbraw/zinc/95/77/03/407957703.db2.gz LOYUCVCHVFAGQJ-LBPRGKRZSA-N 1 0 306.366 1.712 20 5 DDBDRO Cc1c(CC(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)cccc1[N+](=O)[O-] ZINC000272520987 407961931 /nfs/dbraw/zinc/96/19/31/407961931.db2.gz PWWGFRJQIGPQFO-CZUORRHYSA-N 1 0 317.389 1.998 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)[C@H]1CCC[N@H+](C)C1 ZINC000153847734 407918038 /nfs/dbraw/zinc/91/80/38/407918038.db2.gz XWPOYHIRXDBXNN-LBPRGKRZSA-N 1 0 309.370 1.042 20 5 DDBDRO C[C@H]1[NH2+]CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000262782426 407927108 /nfs/dbraw/zinc/92/71/08/407927108.db2.gz LSMIWGQSSIFKNY-CHWSQXEVSA-N 1 0 320.393 1.996 20 5 DDBDRO O=C1NCCCN1C1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000135417315 408016298 /nfs/dbraw/zinc/01/62/98/408016298.db2.gz RTZFIEMWCVNGPJ-UHFFFAOYSA-N 1 0 318.377 1.975 20 5 DDBDRO Cc1ccc(S(=O)(=O)NCC[N@@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000155573070 408183771 /nfs/dbraw/zinc/18/37/71/408183771.db2.gz HHQJNGMEONOWNM-UHFFFAOYSA-N 1 0 315.395 1.522 20 5 DDBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000246398234 408245467 /nfs/dbraw/zinc/24/54/67/408245467.db2.gz FGQZCAKNIMSQHN-CMPLNLGQSA-N 1 0 306.366 1.589 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)N(C)C2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000269310367 408261704 /nfs/dbraw/zinc/26/17/04/408261704.db2.gz FUMXRFWUNNWROM-UHFFFAOYSA-N 1 0 309.370 1.608 20 5 DDBDRO C[C@@H]([NH3+])[C@@H](C)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000182845988 408263694 /nfs/dbraw/zinc/26/36/94/408263694.db2.gz UHHPXQJAPOWVOA-VXGBXAGGSA-N 1 0 306.366 1.227 20 5 DDBDRO C[C@H]1CC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@@H]1CO ZINC000190404578 408236918 /nfs/dbraw/zinc/23/69/18/408236918.db2.gz YCBSFIUNHOCDRG-XHDPSFHLSA-N 1 0 319.361 1.187 20 5 DDBDRO C[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2[O-])C[N@@H+]1C1CC1 ZINC000158161035 408331277 /nfs/dbraw/zinc/33/12/77/408331277.db2.gz XCMZBLGOWDPKEB-UWVGGRQHSA-N 1 0 305.334 1.655 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC[C@H](C)[C@H]1C[NH3+] ZINC000156660602 408270614 /nfs/dbraw/zinc/27/06/14/408270614.db2.gz YUBNZKXZQOKQEE-CMPLNLGQSA-N 1 0 309.370 1.076 20 5 DDBDRO CC[N@@H+]1CCCN(C(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])CC1 ZINC000269327304 408270740 /nfs/dbraw/zinc/27/07/40/408270740.db2.gz DLRKKZXPTHVDSB-UHFFFAOYSA-N 1 0 309.370 1.609 20 5 DDBDRO Nc1c(C(=O)NC2CC[NH+](CC3CC3)CC2)cccc1[N+](=O)[O-] ZINC000176059753 408276972 /nfs/dbraw/zinc/27/69/72/408276972.db2.gz GFYOPJXKIXGGDZ-UHFFFAOYSA-N 1 0 318.377 1.781 20 5 DDBDRO C[C@@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@@H]1CCCO1 ZINC000183142299 408336261 /nfs/dbraw/zinc/33/62/61/408336261.db2.gz HWPRLAGSQXNNNQ-ABAIWWIYSA-N 1 0 319.361 1.641 20 5 DDBDRO O=C(C[C@H]1CCC[NH2+]1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000169192191 162183795 /nfs/dbraw/zinc/18/37/95/162183795.db2.gz BZABNTIXXFIDGX-VXGBXAGGSA-N 1 0 319.365 1.145 20 5 DDBDRO CN(C)C(=O)C1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000269681879 408390452 /nfs/dbraw/zinc/39/04/52/408390452.db2.gz YGBJDJRWTHVADI-HNNXBMFYSA-N 1 0 321.377 1.428 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000247511982 408484980 /nfs/dbraw/zinc/48/49/80/408484980.db2.gz VTHTYBKRYNZQCH-WCQYABFASA-N 1 0 323.397 1.431 20 5 DDBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000176890080 408465965 /nfs/dbraw/zinc/46/59/65/408465965.db2.gz KNRZXSNSTIYRIV-CQSZACIVSA-N 1 0 323.393 1.610 20 5 DDBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000176890364 408467024 /nfs/dbraw/zinc/46/70/24/408467024.db2.gz DSYXFUYWMWOKPX-CQSZACIVSA-N 1 0 309.366 1.681 20 5 DDBDRO C[C@H](c1ccncc1)[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000270551592 408574817 /nfs/dbraw/zinc/57/48/17/408574817.db2.gz BLHSPPCOVNJLTH-RISCZKNCSA-N 1 0 305.338 1.240 20 5 DDBDRO Cc1ccnc(NC[C@H](C(C)C)[NH+]2CCN(C)CC2)c1[N+](=O)[O-] ZINC000265196173 408575891 /nfs/dbraw/zinc/57/58/91/408575891.db2.gz LTEZMZBQDGJXFK-CQSZACIVSA-N 1 0 321.425 1.982 20 5 DDBDRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)COc3ccc([N+](=O)[O-])cc3)C[C@H]12 ZINC000248591905 408592358 /nfs/dbraw/zinc/59/23/58/408592358.db2.gz HGBHGCHNYGECGN-LEWSCRJBSA-N 1 0 305.334 1.169 20 5 DDBDRO COc1ccc(C(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000192529527 408606616 /nfs/dbraw/zinc/60/66/16/408606616.db2.gz PZCKQLWTBFONHC-TXEJJXNPSA-N 1 0 305.334 1.237 20 5 DDBDRO C[C@H](O)C[N@@H+]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000248650912 408608855 /nfs/dbraw/zinc/60/88/55/408608855.db2.gz AHOPVGYJAVIQDY-RYUDHWBXSA-N 1 0 322.365 1.514 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@H]([NH+](C)C)[C@@H](C)C1 ZINC000270677237 408630941 /nfs/dbraw/zinc/63/09/41/408630941.db2.gz SXANYILMDZSADA-WFASDCNBSA-N 1 0 320.393 1.724 20 5 DDBDRO NC(=O)c1ccc(N2CC[N@@H+]3CCCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000248783031 408633310 /nfs/dbraw/zinc/63/33/10/408633310.db2.gz WWIRTXKAEIRAEB-LBPRGKRZSA-N 1 0 304.350 1.368 20 5 DDBDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000177592519 408666183 /nfs/dbraw/zinc/66/61/83/408666183.db2.gz XUAVIGCCSUNLNB-RYUDHWBXSA-N 1 0 306.366 1.780 20 5 DDBDRO O=C(c1n[nH]cc1[N+](=O)[O-])N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000162670464 408727294 /nfs/dbraw/zinc/72/72/94/408727294.db2.gz WGGAEJYSPPVETO-CMPLNLGQSA-N 1 0 319.365 1.407 20 5 DDBDRO C[C@@H]1C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC[C@H]1O ZINC000249599047 408749010 /nfs/dbraw/zinc/74/90/10/408749010.db2.gz XQKFUJGWWZLFAB-OSAQELSMSA-N 1 0 310.350 1.037 20 5 DDBDRO C[N@H+](C[C@@H](O)COc1ccc([N+](=O)[O-])c2cccnc12)C1CC1 ZINC000290869316 408847754 /nfs/dbraw/zinc/84/77/54/408847754.db2.gz ZNTBDLSLMDJGNF-GFCCVEGCSA-N 1 0 317.345 1.977 20 5 DDBDRO C[C@H](NC(=O)c1cc([N+](=O)[O-])n[nH]1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000285746221 408855681 /nfs/dbraw/zinc/85/56/81/408855681.db2.gz HJXCSRZJABAVCB-WDEREUQCSA-N 1 0 321.381 1.701 20 5 DDBDRO C[C@H](CNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1)C[NH+](C)C ZINC000291829419 408928765 /nfs/dbraw/zinc/92/87/65/408928765.db2.gz LCDVNTHRWAIURW-SECBINFHSA-N 1 0 305.338 1.853 20 5 DDBDRO CO[C@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000281842916 408940061 /nfs/dbraw/zinc/94/00/61/408940061.db2.gz YPJZGIBJCQSNMP-MFKMUULPSA-N 1 0 307.350 1.693 20 5 DDBDRO [NH3+]CC[C@@H]1CCCN(C(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000281973928 408963848 /nfs/dbraw/zinc/96/38/48/408963848.db2.gz OCPKQKNSBWOYSV-LBPRGKRZSA-N 1 0 307.350 1.561 20 5 DDBDRO C[N@@H+]1CC[C@@]2(CCN(CC(=O)Nc3ccccc3[N+](=O)[O-])C2)C1 ZINC000292144850 408989428 /nfs/dbraw/zinc/98/94/28/408989428.db2.gz MWPWKPACMVZBKP-MRXNPFEDSA-N 1 0 318.377 1.561 20 5 DDBDRO CCc1n[nH]c(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000277690967 408993107 /nfs/dbraw/zinc/99/31/07/408993107.db2.gz KJIPTQYKDIIJQM-QWRGUYRKSA-N 1 0 307.354 1.237 20 5 DDBDRO C[C@H](c1ccccc1)[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)C(N)=O ZINC000292180529 408995250 /nfs/dbraw/zinc/99/52/50/408995250.db2.gz MLOSPINVZFCLBK-BXUZGUMPSA-N 1 0 317.349 1.039 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000277833034 409020456 /nfs/dbraw/zinc/02/04/56/409020456.db2.gz IIGRLRWSEGUVDZ-CYBMUJFWSA-N 1 0 321.381 1.233 20 5 DDBDRO C[C@H]([NH2+][C@@H]1CCOC[C@@H]1C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000277900427 409031788 /nfs/dbraw/zinc/03/17/88/409031788.db2.gz OXZJRPDDRNPVKG-COPLHBTASA-N 1 0 307.350 1.936 20 5 DDBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CC[C@@H](CO)O2)c(Cl)c1 ZINC000292512742 409034523 /nfs/dbraw/zinc/03/45/23/409034523.db2.gz DGZXQHRNIHHWQU-NEPJUHHUSA-N 1 0 300.742 1.878 20 5 DDBDRO Cc1cc(N2CCO[C@H]3CC[N@@H+](C)C[C@H]32)c(F)cc1[N+](=O)[O-] ZINC000292701771 409039419 /nfs/dbraw/zinc/03/94/19/409039419.db2.gz SBOMCNDSZACXGE-CABCVRRESA-N 1 0 309.341 1.952 20 5 DDBDRO COc1cc(C[NH2+]CC2([S@@](C)=O)CC2)c([N+](=O)[O-])cc1O ZINC000282431191 409053034 /nfs/dbraw/zinc/05/30/34/409053034.db2.gz RHSUTEQXDDTVTF-OAQYLSRUSA-N 1 0 314.363 1.310 20 5 DDBDRO COC[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)[C@H]1CCCO1 ZINC000279112009 409150639 /nfs/dbraw/zinc/15/06/39/409150639.db2.gz SPXAXMGJOXVLEO-DZGCQCFKSA-N 1 0 310.350 1.887 20 5 DDBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000279486154 409224481 /nfs/dbraw/zinc/22/44/81/409224481.db2.gz RENRAPWRKUQVIZ-NOZJJQNGSA-N 1 0 324.356 1.728 20 5 DDBDRO O=C(Cc1ccccc1[N+](=O)[O-])N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000289330459 409249550 /nfs/dbraw/zinc/24/95/50/409249550.db2.gz VNODFACDOWCTQN-MRXNPFEDSA-N 1 0 303.362 1.739 20 5 DDBDRO COC[C@]1(CNC(=O)c2ccc([N+](=O)[O-])cc2F)CCC[NH2+]1 ZINC000262547599 163847431 /nfs/dbraw/zinc/84/74/31/163847431.db2.gz RXGNZFGIUHWAKZ-CQSZACIVSA-N 1 0 311.313 1.232 20 5 DDBDRO C[C@H](O)C[N@@H+]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000284350128 409330674 /nfs/dbraw/zinc/33/06/74/409330674.db2.gz MFSPIUBWGDDFOX-ZWXLGZMVSA-N 1 0 319.405 1.995 20 5 DDBDRO COc1ccc(C[NH2+][C@H]2CCCN(CCCO)C2)cc1[N+](=O)[O-] ZINC000295134029 409337194 /nfs/dbraw/zinc/33/71/94/409337194.db2.gz OXOHKEVZNGZZSU-AWEZNQCLSA-N 1 0 323.393 1.540 20 5 DDBDRO CC[C@@H]([NH3+])CNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000295331458 409438790 /nfs/dbraw/zinc/43/87/90/409438790.db2.gz XOAHTJUMBRNSHF-MRVPVSSYSA-N 1 0 316.155 1.824 20 5 DDBDRO C[C@@H](CCC[NH3+])Nc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000313427804 164010629 /nfs/dbraw/zinc/01/06/29/164010629.db2.gz YJJIPIQTLZGNID-VIFPVBQESA-N 1 0 301.368 1.538 20 5 DDBDRO Cc1nc(NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000296253424 409480449 /nfs/dbraw/zinc/48/04/49/409480449.db2.gz FVBQVIYBIXTDTR-GHMZBOCLSA-N 1 0 309.370 1.604 20 5 DDBDRO CC(C)[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C[C@H](C)O ZINC000304004251 409559495 /nfs/dbraw/zinc/55/94/95/409559495.db2.gz SHSUFFFAIANROW-LBPRGKRZSA-N 1 0 321.377 1.575 20 5 DDBDRO CNC(=O)c1ccc(N2CC[N@H+](C)[C@@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000356793550 409613317 /nfs/dbraw/zinc/61/33/17/409613317.db2.gz MFDVNPIRHISQSJ-QWRGUYRKSA-N 1 0 306.366 1.483 20 5 DDBDRO CC[N@@H+]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])cnc2C)C1 ZINC000338077884 409698999 /nfs/dbraw/zinc/69/89/99/409698999.db2.gz IQQNFGUVJBIDNK-GFCCVEGCSA-N 1 0 306.366 1.760 20 5 DDBDRO Cn1c(C(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)ccc1[N+](=O)[O-] ZINC000349040467 409660459 /nfs/dbraw/zinc/66/04/59/409660459.db2.gz APXWIVOFOFZBPZ-SNVBAGLBSA-N 1 0 315.333 1.397 20 5 DDBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2c([N+](=O)[O-])c(C)nn2C)C[C@@H]1C ZINC000354405379 409831500 /nfs/dbraw/zinc/83/15/00/409831500.db2.gz UQPXDKDFALEWRQ-CMPLNLGQSA-N 1 0 323.397 1.582 20 5 DDBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000357084253 409853317 /nfs/dbraw/zinc/85/33/17/409853317.db2.gz PJYYSRREIUIODR-FRRDWIJNSA-N 1 0 318.377 1.463 20 5 DDBDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C[C@@H](C)C1 ZINC000346224449 409863871 /nfs/dbraw/zinc/86/38/71/409863871.db2.gz NUHFUYOGNIDLPV-LOWVWBTDSA-N 1 0 306.366 1.725 20 5 DDBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000332114504 409897530 /nfs/dbraw/zinc/89/75/30/409897530.db2.gz WTQIKLZOJNIETN-HNNXBMFYSA-N 1 0 318.377 1.627 20 5 DDBDRO C[C@@H]1C[C@H](NC(=O)CCNc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000357392602 410010048 /nfs/dbraw/zinc/01/00/48/410010048.db2.gz OAOIUFQQRAXKPC-CHWSQXEVSA-N 1 0 320.393 1.996 20 5 DDBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])nc2)CCN1C1CC[NH+](C)CC1 ZINC000354741677 410051854 /nfs/dbraw/zinc/05/18/54/410051854.db2.gz DAYJDQWWTDZNJD-CYBMUJFWSA-N 1 0 319.409 1.595 20 5 DDBDRO NC(=O)C[C@H]1CCCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000339139770 410066232 /nfs/dbraw/zinc/06/62/32/410066232.db2.gz JEECMDPSJQFTTQ-GFCCVEGCSA-N 1 0 307.350 1.704 20 5 DDBDRO O=C(CC[N@H+]1CCC[C@@H](CO)C1)Nc1ccccc1[N+](=O)[O-] ZINC000298085588 410105789 /nfs/dbraw/zinc/10/57/89/410105789.db2.gz HQAOSMTZCLYWPR-GFCCVEGCSA-N 1 0 307.350 1.628 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@H](C)[C@H](O)C1 ZINC000351827959 410272146 /nfs/dbraw/zinc/27/21/46/410272146.db2.gz MSUSNIUMXFCBPM-SMDDNHRTSA-N 1 0 307.350 1.544 20 5 DDBDRO C[C@H]([NH3+])[C@H]1CCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000351857906 410291997 /nfs/dbraw/zinc/29/19/97/410291997.db2.gz CSHMVLIHIALLNO-SRVKXCTJSA-N 1 0 306.366 1.591 20 5 DDBDRO C[C@H]([NH3+])[C@H]1CCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000351863469 410301451 /nfs/dbraw/zinc/30/14/51/410301451.db2.gz UBBGRBRRDFTNMU-SLEUVZQESA-N 1 0 318.377 1.369 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000334042896 410625448 /nfs/dbraw/zinc/62/54/48/410625448.db2.gz ZJOOVADPLCQLMS-QWRGUYRKSA-N 1 0 307.350 1.816 20 5 DDBDRO C[N@@H+]1CCC[C@@H](CNc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])C1 ZINC000301084449 410653590 /nfs/dbraw/zinc/65/35/90/410653590.db2.gz DFEHSNJDGBXLLG-JTQLQIEISA-N 1 0 317.349 1.997 20 5 DDBDRO C[C@@H]1CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H](C)C[N@@H+]1C ZINC000337310862 410709656 /nfs/dbraw/zinc/70/96/56/410709656.db2.gz BOQVATCONKFUIF-OLZOCXBDSA-N 1 0 320.393 1.948 20 5 DDBDRO CCOc1cc(N2CCO[C@@H](C[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000301508353 410732964 /nfs/dbraw/zinc/73/29/64/410732964.db2.gz HRNPKHQRAICFMH-ZDUSSCGKSA-N 1 0 309.366 1.760 20 5 DDBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000301552009 410745187 /nfs/dbraw/zinc/74/51/87/410745187.db2.gz QTWSUFVOXZSBSF-CQSZACIVSA-N 1 0 308.382 1.803 20 5 DDBDRO C[C@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1CO ZINC000337476466 410815494 /nfs/dbraw/zinc/81/54/94/410815494.db2.gz SJWHAPYXTZMOCF-NWDGAFQWSA-N 1 0 307.350 1.484 20 5 DDBDRO Cc1c(CC(=O)N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000330581315 410797911 /nfs/dbraw/zinc/79/79/11/410797911.db2.gz JBGSCRZQYMPNPB-NEPJUHHUSA-N 1 0 305.378 1.997 20 5 DDBDRO C[NH+]1CCC(NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000331131956 410967435 /nfs/dbraw/zinc/96/74/35/410967435.db2.gz PETCBJKUVIFQFQ-UHFFFAOYSA-N 1 0 313.304 1.626 20 5 DDBDRO COc1ccc(C(=O)N[C@H](C[NH3+])C2CCCC2)cc1[N+](=O)[O-] ZINC000262452963 167482146 /nfs/dbraw/zinc/48/21/46/167482146.db2.gz HZHMFKLXXSMBAG-GFCCVEGCSA-N 1 0 307.350 1.851 20 5 DDBDRO COc1cc(C[N@H+](C)[C@@H]2CCC[C@H]2O)c([N+](=O)[O-])cc1OC ZINC000348556869 411015069 /nfs/dbraw/zinc/01/50/69/411015069.db2.gz QCPRJOWQPBLULT-DGCLKSJQSA-N 1 0 310.350 1.957 20 5 DDBDRO C[N@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)C1CC(O)C1 ZINC000353495453 411030221 /nfs/dbraw/zinc/03/02/21/411030221.db2.gz NZBXGYRRFULLAM-UHFFFAOYSA-N 1 0 321.333 1.348 20 5 DDBDRO COc1ccc(C[N@H+](C)[C@@H](C)CN2CCOCC2)cc1[N+](=O)[O-] ZINC000271634994 209079803 /nfs/dbraw/zinc/07/98/03/209079803.db2.gz PXBHSJITOYZJDH-ZDUSSCGKSA-N 1 0 323.393 1.756 20 5 DDBDRO CC[C@]1(C(=O)NCCNc2ccccc2[N+](=O)[O-])CCC[NH2+]1 ZINC000134385158 196384397 /nfs/dbraw/zinc/38/43/97/196384397.db2.gz GLCSQFUYZHHQGS-OAHLLOKOSA-N 1 0 306.366 1.655 20 5 DDBDRO C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C[C@@]1(C)C[NH3+] ZINC000420481858 226506031 /nfs/dbraw/zinc/50/60/31/226506031.db2.gz SBYXPOSTBPOFNT-LDYMZIIASA-N 1 0 319.408 1.262 20 5 DDBDRO O=[N+]([O-])c1ccc(CCN2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000366514973 418483574 /nfs/dbraw/zinc/48/35/74/418483574.db2.gz LACOSYCDSUBFQE-MRXNPFEDSA-N 1 0 305.378 1.544 20 5 DDBDRO O=C1NC(=O)[C@H]2C[N@H+](C/C=C/c3ccccc3[N+](=O)[O-])CC[C@@H]12 ZINC000366571585 418492397 /nfs/dbraw/zinc/49/23/97/418492397.db2.gz XVCOUZARXKHXIS-CBSYICTRSA-N 1 0 315.329 1.203 20 5 DDBDRO Cn1cc(N2CC[C@@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)cn1 ZINC000374247647 418509224 /nfs/dbraw/zinc/50/92/24/418509224.db2.gz MPEYDMIHMDAUNZ-CYBMUJFWSA-N 1 0 301.350 1.697 20 5 DDBDRO O=[N+]([O-])c1ccc(F)cc1CN1CCN([C@@H]2CCOC2)CC1 ZINC000366953779 418542475 /nfs/dbraw/zinc/54/24/75/418542475.db2.gz GTUHCMIFSDNHGS-CQSZACIVSA-N 1 0 309.341 1.640 20 5 DDBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@@]1([NH+](C)C)CCSC1 ZINC000360990198 418560827 /nfs/dbraw/zinc/56/08/27/418560827.db2.gz JNHCASGYNAQSFT-ZDUSSCGKSA-N 1 0 313.427 1.969 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@@H]1C1CC[NH2+]CC1 ZINC000361077415 418578522 /nfs/dbraw/zinc/57/85/22/418578522.db2.gz BELQKTPWSYPYEU-OCCSQVGLSA-N 1 0 319.361 1.721 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000194505304 222177934 /nfs/dbraw/zinc/17/79/34/222177934.db2.gz ZIGVZZUFCHVAOL-UHFFFAOYSA-N 1 0 317.349 1.914 20 5 DDBDRO C[C@H]1OCC[C@@H]1[N@H+](CCO)CCOc1ccc([N+](=O)[O-])cc1 ZINC000361583626 418686308 /nfs/dbraw/zinc/68/63/08/418686308.db2.gz LPGOJQURIIQLMF-DOMZBBRYSA-N 1 0 310.350 1.445 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1C[C@@H]([NH3+])Cc2ccccc21 ZINC000387075512 418742027 /nfs/dbraw/zinc/74/20/27/418742027.db2.gz OCSWWIVORRIIBJ-NSHDSACASA-N 1 0 300.318 1.464 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1CSc1nc(N)cc(N)[nH+]1 ZINC000362338816 418752682 /nfs/dbraw/zinc/75/26/82/418752682.db2.gz GPLBONGCNWKNRF-UHFFFAOYSA-N 1 0 307.335 1.850 20 5 DDBDRO COCC[N@H+](C)C[C@H](O)COc1c(C)cc(C)cc1[N+](=O)[O-] ZINC000390641838 418755143 /nfs/dbraw/zinc/75/51/43/418755143.db2.gz SMWIWRSGFXCWGI-ZDUSSCGKSA-N 1 0 312.366 1.530 20 5 DDBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@H](C2CC2)[C@H]2CNCCO2)c1 ZINC000423009070 227312281 /nfs/dbraw/zinc/31/22/81/227312281.db2.gz BXYCWOZUNPSYJI-HZPDHXFCSA-N 1 0 305.378 1.494 20 5 DDBDRO O=C(CC[N@H+]1CCCC[C@H]1CO)Nc1ccc([N+](=O)[O-])cc1 ZINC000411167299 418875872 /nfs/dbraw/zinc/87/58/72/418875872.db2.gz NXBMBFKVQNSPNS-AWEZNQCLSA-N 1 0 307.350 1.770 20 5 DDBDRO [NH3+][C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000372491995 418877831 /nfs/dbraw/zinc/87/78/31/418877831.db2.gz PXUWCQYUCHOKIW-RTCCRHLQSA-N 1 0 323.324 1.593 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](C(=O)NC)C1 ZINC000420968516 419390876 /nfs/dbraw/zinc/39/08/76/419390876.db2.gz CBAUIEUKQBPRAV-NSHDSACASA-N 1 0 307.350 1.561 20 5 DDBDRO CCOc1cc(C[N@@H+]2CC[C@H](C(=O)NC)C2)ccc1[N+](=O)[O-] ZINC000420970436 419392765 /nfs/dbraw/zinc/39/27/65/419392765.db2.gz GGCGKUSMWZXDKZ-LBPRGKRZSA-N 1 0 307.350 1.561 20 5 DDBDRO [NH3+]C[C@H]1CC[C@@H](NC(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000417949512 419409978 /nfs/dbraw/zinc/40/99/78/419409978.db2.gz VAMDBSARDYWSHA-QWHCGFSZSA-N 1 0 306.366 1.564 20 5 DDBDRO [NH3+]C[C@H]1CC[C@H](NC(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000417949514 419411364 /nfs/dbraw/zinc/41/13/64/419411364.db2.gz VAMDBSARDYWSHA-STQMWFEESA-N 1 0 306.366 1.564 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H]1CCO ZINC000426230007 419412414 /nfs/dbraw/zinc/41/24/14/419412414.db2.gz JTHPGXCFCIDNLL-QWHCGFSZSA-N 1 0 310.350 1.181 20 5 DDBDRO CON1CCC([NH2+][C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000421205144 419522535 /nfs/dbraw/zinc/52/25/35/419522535.db2.gz GSPIFLSQICMMNO-NSHDSACASA-N 1 0 322.365 1.537 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](CO)[C@@H]1CCCOC1 ZINC000411991887 419547994 /nfs/dbraw/zinc/54/79/94/419547994.db2.gz YMMBJGMKIQLKSO-BXUZGUMPSA-N 1 0 310.350 1.481 20 5 DDBDRO Cc1c(CNC(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000418055840 419499587 /nfs/dbraw/zinc/49/95/87/419499587.db2.gz BXUSTSKVLJQQGH-CQSZACIVSA-N 1 0 318.377 1.939 20 5 DDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCc3nnnn3CC2)c(F)c1 ZINC000421392507 419594961 /nfs/dbraw/zinc/59/49/61/419594961.db2.gz CBOONJLSZXNVGL-SNVBAGLBSA-N 1 0 306.301 1.215 20 5 DDBDRO C[C@H](NC(=O)NCC[C@@H]1CC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000418240848 419639986 /nfs/dbraw/zinc/63/99/86/419639986.db2.gz ZZGSJGJBCIYDIZ-RYUDHWBXSA-N 1 0 306.366 1.955 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N(C)CC[NH+](C)C)c1F ZINC000412170219 419707616 /nfs/dbraw/zinc/70/76/16/419707616.db2.gz YVPBJABDGWOVJC-UHFFFAOYSA-N 1 0 313.329 1.305 20 5 DDBDRO C[N@@H+]1CCO[C@@H]2CN(c3c4ccccc4ncc3[N+](=O)[O-])C[C@@H]21 ZINC000413467294 419786357 /nfs/dbraw/zinc/78/63/57/419786357.db2.gz CIPATMRPLOBMGW-LSDHHAIUSA-N 1 0 314.345 1.662 20 5 DDBDRO C[C@H](CCCC[NH3+])NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000427960816 419775864 /nfs/dbraw/zinc/77/58/64/419775864.db2.gz VXBNITJGMJAVTD-LLVKDONJSA-N 1 0 315.395 1.532 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000430596434 228931798 /nfs/dbraw/zinc/93/17/98/228931798.db2.gz OBMYWHJGIOMPCP-BXUZGUMPSA-N 1 0 320.393 1.901 20 5 DDBDRO Cn1cc(CN[C@@H]2CC[NH2+]C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000414879675 419855552 /nfs/dbraw/zinc/85/55/52/419855552.db2.gz IWMGVLMEMMOZJQ-CYBMUJFWSA-N 1 0 301.350 1.447 20 5 DDBDRO COc1cc(CN[C@@H]2CCC[C@@H]([NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000414935432 419880878 /nfs/dbraw/zinc/88/08/78/419880878.db2.gz YLVDDPWAYQVLDL-VXGBXAGGSA-N 1 0 309.366 1.972 20 5 DDBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CC[NH2+]C[C@H]1C ZINC000414948170 419888398 /nfs/dbraw/zinc/88/83/98/419888398.db2.gz XWMKGLSEEIGUCZ-JMSVASOKSA-N 1 0 320.393 1.900 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000435238639 229365775 /nfs/dbraw/zinc/36/57/75/229365775.db2.gz GAJZQKONXVROSA-CQSZACIVSA-N 1 0 318.377 1.668 20 5 DDBDRO COc1cc(C(=O)NC2CCC([NH3+])CC2)cc([N+](=O)[O-])c1OC ZINC000428985155 419956889 /nfs/dbraw/zinc/95/68/89/419956889.db2.gz UUAHVVUFVQTNNL-UHFFFAOYSA-N 1 0 323.349 1.612 20 5 DDBDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(CCn2ccc([N+](=O)[O-])n2)C[C@@H](C)C1 ZINC000429027298 419964062 /nfs/dbraw/zinc/96/40/62/419964062.db2.gz DRMGBCUDPQHEQX-MCIONIFRSA-N 1 0 307.398 1.453 20 5 DDBDRO CC(C)[C@@H]([NH3+])CN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000423278876 420001746 /nfs/dbraw/zinc/00/17/46/420001746.db2.gz RGKNPHUZOHIROR-LSDHHAIUSA-N 1 0 317.393 1.991 20 5 DDBDRO O=C(N[C@@H]1C[NH2+]CCC1(F)F)c1c(Cl)cccc1[N+](=O)[O-] ZINC000423693375 420129866 /nfs/dbraw/zinc/12/98/66/420129866.db2.gz GVCRLRWINOMJNG-SECBINFHSA-N 1 0 319.695 1.975 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000420290071 420185317 /nfs/dbraw/zinc/18/53/17/420185317.db2.gz UEVRDLFNZDQRPK-VHSXEESVSA-N 1 0 308.338 1.706 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CC[C@@H](C[NH3+])C1 ZINC000430925377 420209660 /nfs/dbraw/zinc/20/96/60/420209660.db2.gz KXBSXVNKJFWYJG-QWRGUYRKSA-N 1 0 322.365 1.211 20 5 DDBDRO CCOc1ccc(NC(=O)CN2CC[C@@H]([NH2+]C)C2)c([N+](=O)[O-])c1 ZINC000430594878 420152077 /nfs/dbraw/zinc/15/20/77/420152077.db2.gz SISQBGWRDWNSFZ-LLVKDONJSA-N 1 0 322.365 1.226 20 5 DDBDRO [NH3+]C[C@H]1CCCC[C@H]1Nc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000420210384 420153613 /nfs/dbraw/zinc/15/36/13/420153613.db2.gz WFRQRJIXPGCAQF-DGCLKSJQSA-N 1 0 317.349 2.574 20 5 DDBDRO CN(C(=O)CN1CCC[C@H](C[NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC000430615428 420157746 /nfs/dbraw/zinc/15/77/46/420157746.db2.gz BXDKBOKDMHSPSD-GFCCVEGCSA-N 1 0 306.366 1.228 20 5 DDBDRO C[NH2+][C@H]1CCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000430612331 420158163 /nfs/dbraw/zinc/15/81/63/420158163.db2.gz RXBVLHWTDVOXIV-RYUDHWBXSA-N 1 0 306.366 1.524 20 5 DDBDRO C[NH2+][C@H]1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000430618102 420160605 /nfs/dbraw/zinc/16/06/05/420160605.db2.gz RCLIBXVFPBMRIE-LBPRGKRZSA-N 1 0 306.366 1.526 20 5 DDBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCC[NH2+]CC1 ZINC000430653788 420171644 /nfs/dbraw/zinc/17/16/44/420171644.db2.gz ZUVDEKIGZFCKGE-UHFFFAOYSA-N 1 0 320.349 1.188 20 5 DDBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[NH2+]C[C@](C)(F)C1 ZINC000420339295 420221311 /nfs/dbraw/zinc/22/13/11/420221311.db2.gz SHBLWHNXZCWTJQ-NHYWBVRUSA-N 1 0 324.356 1.555 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CC[NH2+][C@H](C)C1 ZINC000420343484 420223572 /nfs/dbraw/zinc/22/35/72/420223572.db2.gz ZKCNGBBHTDJSOM-GHMZBOCLSA-N 1 0 322.365 1.224 20 5 DDBDRO C[C@H](N[C@H]1[C@@H](C)[NH2+]CC[C@@H]1C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000420363794 420237851 /nfs/dbraw/zinc/23/78/51/420237851.db2.gz JUBSTICJFLLSIG-OZTPJHRESA-N 1 0 320.393 1.898 20 5 DDBDRO O=[N+]([O-])c1cnn(CCN2CC[NH2+]C[C@@H]2c2ccccc2)c1 ZINC000420398868 420261720 /nfs/dbraw/zinc/26/17/20/420261720.db2.gz HDKCNGOEVUGDHW-OAHLLOKOSA-N 1 0 301.350 1.438 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC[C@H](C)C[NH3+])c1 ZINC000420424089 420277580 /nfs/dbraw/zinc/27/75/80/420277580.db2.gz NNAXBMKUJIAGJA-SECBINFHSA-N 1 0 301.368 1.085 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC[C@H]([NH3+])C(C)C)c1 ZINC000420439567 420288754 /nfs/dbraw/zinc/28/87/54/420288754.db2.gz BFBXNJPXNRASJW-NSHDSACASA-N 1 0 315.395 1.473 20 5 DDBDRO C[NH2+]C1CCN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000430945166 420217492 /nfs/dbraw/zinc/21/74/92/420217492.db2.gz PUGIHXUJVJLAOQ-LLVKDONJSA-N 1 0 306.366 1.606 20 5 DDBDRO COc1ccc(OCCN2CC[C@H]([NH3+])[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000430942891 420217855 /nfs/dbraw/zinc/21/78/55/420217855.db2.gz FECVLBHKDMLODU-YPMHNXCESA-N 1 0 309.366 1.651 20 5 DDBDRO C[C@H]1CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H](C)[NH2+]1 ZINC000430950483 420219000 /nfs/dbraw/zinc/21/90/00/420219000.db2.gz RMYUKAXMAOTBGA-RYUDHWBXSA-N 1 0 306.366 1.606 20 5 DDBDRO NC(=O)[C@H]1CCCC[C@@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444680612 230119115 /nfs/dbraw/zinc/11/91/15/230119115.db2.gz QIJOHFJRHDQHAL-QWRGUYRKSA-N 1 0 317.349 1.605 20 5 DDBDRO CN(C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000444979769 230148431 /nfs/dbraw/zinc/14/84/31/230148431.db2.gz AYEUQKMBXFCPBD-LLVKDONJSA-N 1 0 306.322 1.004 20 5 DDBDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000417762098 420471037 /nfs/dbraw/zinc/47/10/37/420471037.db2.gz IGNUVCVVQYMDKX-NEPJUHHUSA-N 1 0 306.366 1.516 20 5 DDBDRO CCOc1cc(N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000450792382 420532315 /nfs/dbraw/zinc/53/23/15/420532315.db2.gz KAGDJPKNUVDQAA-BETUJISGSA-N 1 0 323.393 1.885 20 5 DDBDRO C[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC[C@@H]1[NH3+] ZINC000440442039 420576424 /nfs/dbraw/zinc/57/64/24/420576424.db2.gz KYHORKBJKWHMPX-YUMQZZPRSA-N 1 0 305.381 1.014 20 5 DDBDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000457108890 420617461 /nfs/dbraw/zinc/61/74/61/420617461.db2.gz GIXVHPZXYQOKEV-NSHDSACASA-N 1 0 306.366 1.732 20 5 DDBDRO C[C@@H](C[NH3+])CNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000441599563 420656889 /nfs/dbraw/zinc/65/68/89/420656889.db2.gz ONTSRFYRPLAOPC-QMMMGPOBSA-N 1 0 304.306 1.173 20 5 DDBDRO COCC[C@]1([NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2)CCOC1 ZINC000447396837 420771662 /nfs/dbraw/zinc/77/16/62/420771662.db2.gz XHKBNOHQUPTAHH-HNNXBMFYSA-N 1 0 310.350 1.889 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1C[C@@H](C[NH3+])C[C@H]1C ZINC000442791011 420715955 /nfs/dbraw/zinc/71/59/55/420715955.db2.gz MYKHBLNOFQWVGK-VXGBXAGGSA-N 1 0 306.366 1.511 20 5 DDBDRO C[C@H]([NH2+][C@H](CO)[C@@H]1CCCO1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000447917358 420818705 /nfs/dbraw/zinc/81/87/05/420818705.db2.gz QVUFAMOQWOPFKH-SUHUHFCYSA-N 1 0 323.349 1.051 20 5 DDBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](O)Cn1ccnn1 ZINC000459727650 420858281 /nfs/dbraw/zinc/85/82/81/420858281.db2.gz ZAGQDPGXEJSRBT-WASHYIJTSA-N 1 0 317.349 1.240 20 5 DDBDRO CC[C@@H]1OCC[C@H]1[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000459772885 420868707 /nfs/dbraw/zinc/86/87/07/420868707.db2.gz JYDMFZNWVLUHKE-SCRDCRAPSA-N 1 0 310.350 1.492 20 5 DDBDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccn(C)n1 ZINC000459784915 420872036 /nfs/dbraw/zinc/87/20/36/420872036.db2.gz JTSPSTVCJFMJIY-VXGBXAGGSA-N 1 0 320.349 1.419 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1(CO)CCOCC1 ZINC000449204055 420969567 /nfs/dbraw/zinc/96/95/67/420969567.db2.gz LXBAHOYGHHTHHE-CYBMUJFWSA-N 1 0 308.378 1.905 20 5 DDBDRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000487948950 421059530 /nfs/dbraw/zinc/05/95/30/421059530.db2.gz MYWBOJQSNDAASZ-OCCSQVGLSA-N 1 0 305.378 1.793 20 5 DDBDRO CC[N@H+](CCNC(=O)c1ccc([N+](=O)[O-])c(NC)n1)C1CC1 ZINC000455402811 421008140 /nfs/dbraw/zinc/00/81/40/421008140.db2.gz OWSWPULTSLBMHC-UHFFFAOYSA-N 1 0 307.354 1.246 20 5 DDBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H](C)N(C)C ZINC000449556993 421025066 /nfs/dbraw/zinc/02/50/66/421025066.db2.gz OUULXNJLKZVWIH-RYUDHWBXSA-N 1 0 308.382 1.852 20 5 DDBDRO CNC(=O)C[C@@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000449598229 421034882 /nfs/dbraw/zinc/03/48/82/421034882.db2.gz BHYABKCHYJIIOX-MRVPVSSYSA-N 1 0 317.292 1.810 20 5 DDBDRO CNc1nc(C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000456019968 421089931 /nfs/dbraw/zinc/08/99/31/421089931.db2.gz IOKUWNFUAOTOEZ-SKDRFNHKSA-N 1 0 319.365 1.244 20 5 DDBDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2ccnc(N)c2[N+](=O)[O-])C1 ZINC000548414116 421436057 /nfs/dbraw/zinc/43/60/57/421436057.db2.gz PRXHXPGSJLVGKK-NSHDSACASA-N 1 0 321.381 1.422 20 5 DDBDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000514668079 421443799 /nfs/dbraw/zinc/44/37/99/421443799.db2.gz QUBJIKFLLZMXHX-NXEZZACHSA-N 1 0 321.333 1.175 20 5 DDBDRO CNc1ccc(C(=O)N2CCC3(CC[NH2+]C3)CC2)cc1[N+](=O)[O-] ZINC000563085664 421452579 /nfs/dbraw/zinc/45/25/79/421452579.db2.gz VWQYORIIPFBNPH-UHFFFAOYSA-N 1 0 318.377 1.852 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CC[C@@H]1CCOC1 ZINC000515188164 421484052 /nfs/dbraw/zinc/48/40/52/421484052.db2.gz TWBHVUIEZZXMKB-CHWSQXEVSA-N 1 0 310.350 1.351 20 5 DDBDRO CCC([NH3+])(CC)CNC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000564082843 421568161 /nfs/dbraw/zinc/56/81/61/421568161.db2.gz CMHDVSOJIBRELG-UHFFFAOYSA-N 1 0 309.366 1.780 20 5 DDBDRO CCC[C@H](C)[C@@H](CO)[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000564090223 421568846 /nfs/dbraw/zinc/56/88/46/421568846.db2.gz MVTMJRUKAYPYOT-SWLSCSKDSA-N 1 0 323.393 1.944 20 5 DDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000571577373 421728072 /nfs/dbraw/zinc/72/80/72/421728072.db2.gz OWLBBQTYIFDNEC-GHMZBOCLSA-N 1 0 318.377 1.992 20 5 DDBDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC000570826067 421672186 /nfs/dbraw/zinc/67/21/86/421672186.db2.gz YPRAOLZBOGRWJA-NSHDSACASA-N 1 0 323.397 1.948 20 5 DDBDRO Cc1c([C@@H](C)[NH2+]C[C@@H](C)S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000539047350 421746464 /nfs/dbraw/zinc/74/64/64/421746464.db2.gz PEFNNEURXLFUEA-MWLCHTKSSA-N 1 0 300.380 1.987 20 5 DDBDRO CCC([NH3+])(CC)CNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000572117326 421765448 /nfs/dbraw/zinc/76/54/48/421765448.db2.gz BZIPMQVTRPACKY-UHFFFAOYSA-N 1 0 323.349 1.613 20 5 DDBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cc([N+](=O)[O-])cn1C ZINC000540890980 421773193 /nfs/dbraw/zinc/77/31/93/421773193.db2.gz FDZJNHPNBZWGSJ-LLVKDONJSA-N 1 0 308.382 1.736 20 5 DDBDRO CC[C@H]1C[N@H+](C)CCN1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000581414160 421966373 /nfs/dbraw/zinc/96/63/73/421966373.db2.gz QFKPYJBCDJWJMO-ZDUSSCGKSA-N 1 0 306.366 1.830 20 5 DDBDRO CC1(C)C(=O)N[C@H]1C1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000573621892 421989562 /nfs/dbraw/zinc/98/95/62/421989562.db2.gz PXCMUFBUDAMCNN-ZDUSSCGKSA-N 1 0 321.381 1.028 20 5 DDBDRO Cc1cc(CN2CCN(c3ccc([N+](=O)[O-])nc3)CC2)n(C)n1 ZINC000574059644 422058192 /nfs/dbraw/zinc/05/81/92/422058192.db2.gz OBVVDNXGVQLARI-UHFFFAOYSA-N 1 0 316.365 1.354 20 5 DDBDRO COc1ccc(CC(=O)N[C@H]2CCCC[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000574749530 422171163 /nfs/dbraw/zinc/17/11/63/422171163.db2.gz IGNJQOPBROLCGB-OLZOCXBDSA-N 1 0 321.377 1.780 20 5 DDBDRO COC[C@@]1(C(=O)N2CCc3c2cccc3[N+](=O)[O-])CC[NH2+]C1 ZINC000577858660 422442852 /nfs/dbraw/zinc/44/28/52/422442852.db2.gz ORGDPJQYRDKFMY-OAHLLOKOSA-N 1 0 305.334 1.110 20 5 DDBDRO COc1ccc(C[NH2+][C@@H](C2CC2)[C@H]2CNCCO2)cc1[N+](=O)[O-] ZINC000422936389 533687234 /nfs/dbraw/zinc/68/72/34/533687234.db2.gz BNIXBNRPQNYNGA-CVEARBPZSA-N 1 0 321.377 1.460 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@]23CCOC3)c1 ZINC000341978023 271264481 /nfs/dbraw/zinc/26/44/81/271264481.db2.gz XFMBTZBXLBURAG-GOEBONIOSA-N 1 0 322.361 1.589 20 5 DDBDRO NC(=O)[C@H]1CCC[N@H+](CCCNc2c(F)cccc2[N+](=O)[O-])C1 ZINC000342099183 271296985 /nfs/dbraw/zinc/29/69/85/271296985.db2.gz SXEGWLUYZOLEJK-NSHDSACASA-N 1 0 324.356 1.733 20 5 DDBDRO Cn1c(C(=O)N2CCC([NH+]3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000344603217 272068655 /nfs/dbraw/zinc/06/86/55/272068655.db2.gz JEXYSTRLJPEIMS-UHFFFAOYSA-N 1 0 306.366 1.634 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000344645710 272078998 /nfs/dbraw/zinc/07/89/98/272078998.db2.gz PUIDMORIXLKRFZ-LLVKDONJSA-N 1 0 309.370 1.179 20 5 DDBDRO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])nn2C)CC[N@@H+](C2CCC2)C1 ZINC000344696846 272093519 /nfs/dbraw/zinc/09/35/19/272093519.db2.gz HRXQGDQDDHDJHR-LLVKDONJSA-N 1 0 321.381 1.275 20 5 DDBDRO C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000345938387 272370452 /nfs/dbraw/zinc/37/04/52/272370452.db2.gz WMMSORNREDMMFW-STQMWFEESA-N 1 0 320.393 1.996 20 5 DDBDRO C[C@H](O)C[NH+]1CCN(c2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413248993 274538996 /nfs/dbraw/zinc/53/89/96/274538996.db2.gz KNHJIGZKPJQVFL-LBPRGKRZSA-N 1 0 316.361 1.646 20 5 DDBDRO Nc1nc(N2CCC[C@@H]([NH+]3CCCCCC3)C2)ncc1[N+](=O)[O-] ZINC000301197736 274966051 /nfs/dbraw/zinc/96/60/51/274966051.db2.gz OPCFERWHCXUADV-GFCCVEGCSA-N 1 0 320.397 1.812 20 5 DDBDRO CC[NH+]1CCC(NC(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])CC1 ZINC000269389426 276151183 /nfs/dbraw/zinc/15/11/83/276151183.db2.gz QYSYRTAZVXETEQ-UHFFFAOYSA-N 1 0 309.370 1.655 20 5 DDBDRO CN1C(=O)CC[C@@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1=O ZINC000424325326 277007173 /nfs/dbraw/zinc/00/71/73/277007173.db2.gz XRWOSOXSBPSKDX-ZIAGYGMSSA-N 1 0 317.345 1.709 20 5 DDBDRO CN1CCC[C@@H]1C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447562777 277064552 /nfs/dbraw/zinc/06/45/52/277064552.db2.gz NBKUJHWAJQTXOG-RDBSUJKOSA-N 1 0 307.398 1.959 20 5 DDBDRO COC[C@H](CCO)[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000269030979 277259858 /nfs/dbraw/zinc/25/98/58/277259858.db2.gz SECJKIXCYKJZBZ-GJZGRUSLSA-N 1 0 308.378 1.903 20 5 DDBDRO CC(C)(O)C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CC1 ZINC000189913596 277314529 /nfs/dbraw/zinc/31/45/29/277314529.db2.gz HHMAWGCDADFIAE-UHFFFAOYSA-N 1 0 307.350 1.429 20 5 DDBDRO COc1cccc(N2CC[NH+](C3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000185515345 278016069 /nfs/dbraw/zinc/01/60/69/278016069.db2.gz BPYMEBGSUXQJSE-UHFFFAOYSA-N 1 0 321.377 1.904 20 5 DDBDRO C[C@@H]1CN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC[C@@H]1[NH3+] ZINC000420180998 278810166 /nfs/dbraw/zinc/81/01/66/278810166.db2.gz DOBFBHPCIVTTJA-SKDRFNHKSA-N 1 0 303.322 1.818 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000284669842 280394731 /nfs/dbraw/zinc/39/47/31/280394731.db2.gz GUTZNXJURBHRSG-ZIAGYGMSSA-N 1 0 307.350 1.400 20 5 DDBDRO C[NH+](C)C1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000127941964 281291993 /nfs/dbraw/zinc/29/19/93/281291993.db2.gz RYGHBQMGCUWPDE-UHFFFAOYSA-N 1 0 320.393 1.949 20 5 DDBDRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000277520482 288323034 /nfs/dbraw/zinc/32/30/34/288323034.db2.gz KYMNHXZYXPNTCM-KOLCDFICSA-N 1 0 321.333 1.094 20 5 DDBDRO C[C@H](C[NH+]1CCCCCC1)NC(=O)c1cc([N+](=O)[O-])nn1C ZINC000357030594 289582638 /nfs/dbraw/zinc/58/26/38/289582638.db2.gz BCNAEDUJOPJPFM-LLVKDONJSA-N 1 0 309.370 1.323 20 5 DDBDRO [NH3+]C1CCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000019982347 295214435 /nfs/dbraw/zinc/21/44/35/295214435.db2.gz ILBKTTGXCOFADD-UHFFFAOYSA-N 1 0 319.770 1.360 20 5 DDBDRO CC(=O)N[C@@]1(c2nc(-c3cc([N+](=O)[O-])c[nH]3)cs2)CC[NH2+]C1 ZINC000356879586 298897704 /nfs/dbraw/zinc/89/77/04/298897704.db2.gz DOZSHDNGTITXCO-ZDUSSCGKSA-N 1 0 321.362 1.371 20 5 DDBDRO Cn1cncc1Cc1noc(CNc2ccccc2[N+](=O)[O-])n1 ZINC000357956070 299031450 /nfs/dbraw/zinc/03/14/50/299031450.db2.gz JYLUWJYLBUYZHH-UHFFFAOYSA-N 1 0 314.305 1.914 20 5 DDBDRO COCCC[N@@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000363326558 300251991 /nfs/dbraw/zinc/25/19/91/300251991.db2.gz ZAOFJRHOSLJLAO-UHFFFAOYSA-N 1 0 311.338 1.372 20 5 DDBDRO COc1ccc(C(=O)N2CC[C@@]3(CCC[C@@H]3[NH3+])C2)cc1[N+](=O)[O-] ZINC000364256165 300363902 /nfs/dbraw/zinc/36/39/02/300363902.db2.gz KMGKSDUNTDPLNB-HOCLYGCPSA-N 1 0 319.361 1.947 20 5 DDBDRO Nc1ccc([N+](=O)[O-])c(N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c1 ZINC000367164317 300807594 /nfs/dbraw/zinc/80/75/94/300807594.db2.gz HSRWXJGJWICYJI-DZGCQCFKSA-N 1 0 306.366 1.212 20 5 DDBDRO O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000368386618 301016519 /nfs/dbraw/zinc/01/65/19/301016519.db2.gz YTTQOWBVXJXLET-GMOCUTOCSA-N 1 0 301.346 1.818 20 5 DDBDRO CCCc1n[nH]c(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000369144146 301136541 /nfs/dbraw/zinc/13/65/41/301136541.db2.gz OFQGBABHUQSSKC-MNOVXSKESA-N 1 0 321.381 1.627 20 5 DDBDRO O=C1CCCN1C[C@@H]1CCCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000370000861 301255528 /nfs/dbraw/zinc/25/55/28/301255528.db2.gz FLCWSIYVGUSJGJ-ZDUSSCGKSA-N 1 0 321.381 1.268 20 5 DDBDRO COc1ccc(OCC[N@@H+]2CC[C@@](O)(C3CC3)C2)c([N+](=O)[O-])c1 ZINC000370083097 301272694 /nfs/dbraw/zinc/27/26/94/301272694.db2.gz PLMWZWPMACITSL-INIZCTEOSA-N 1 0 322.361 1.829 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000371825246 301503739 /nfs/dbraw/zinc/50/37/39/301503739.db2.gz QTCZJRGJJODYSE-CVEARBPZSA-N 1 0 305.378 1.939 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000044528811 302043208 /nfs/dbraw/zinc/04/32/08/302043208.db2.gz IIVVOOBJYCCACE-NSHDSACASA-N 1 0 313.379 1.263 20 5 DDBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000376408519 302074903 /nfs/dbraw/zinc/07/49/03/302074903.db2.gz OOKQAIKSTXJTIW-GWCFXTLKSA-N 1 0 319.365 1.271 20 5 DDBDRO C[C@@H]1C[C@@H](CO)C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000398742301 302361685 /nfs/dbraw/zinc/36/16/85/302361685.db2.gz WSYVZWMTDHNUPR-GHMZBOCLSA-N 1 0 307.350 1.144 20 5 DDBDRO [NH3+][C@@H](C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)C1CCC1 ZINC000399178225 302365508 /nfs/dbraw/zinc/36/55/08/302365508.db2.gz IJZHIYSWDWBQSL-OAHLLOKOSA-N 1 0 318.377 1.371 20 5 DDBDRO Cc1cc(S(=O)(=O)N[C@@H](C)C[C@@H](C)[NH3+])c(C)cc1[N+](=O)[O-] ZINC000514678796 302738860 /nfs/dbraw/zinc/73/88/60/302738860.db2.gz VNCYDWZYLPVQIL-MNOVXSKESA-N 1 0 315.395 1.616 20 5 DDBDRO CCS(=O)(=O)CCC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000515498964 302777321 /nfs/dbraw/zinc/77/73/21/302777321.db2.gz LXAJLJZVSQKAQD-ZDUSSCGKSA-N 1 0 312.391 1.997 20 5 DDBDRO C[NH+](C)C[C@H]1CCCCN1C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000521518908 302875862 /nfs/dbraw/zinc/87/58/62/302875862.db2.gz UYDPRADEBIYBSK-GFCCVEGCSA-N 1 0 309.370 1.124 20 5 DDBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532140703 303276441 /nfs/dbraw/zinc/27/64/41/303276441.db2.gz RZPWBCMYSSKWNN-NEPJUHHUSA-N 1 0 306.366 1.840 20 5 DDBDRO CN1CCC[C@H]([N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1=O ZINC000538712081 303389833 /nfs/dbraw/zinc/38/98/33/303389833.db2.gz PLRAFLFAFQYICM-YPMHNXCESA-N 1 0 319.365 1.097 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C[C@H]2CCCOC2)c1 ZINC000559604917 303792627 /nfs/dbraw/zinc/79/26/27/303792627.db2.gz GOWLWBJCQYMFCG-OCCSQVGLSA-N 1 0 310.350 1.351 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H]1C[C@H](O)C1(C)C ZINC000563362063 303944589 /nfs/dbraw/zinc/94/45/89/303944589.db2.gz YTPPDPNFQKPOER-KGLIPLIRSA-N 1 0 321.377 1.981 20 5 DDBDRO CC(C)N(C)C(=O)[C@H](C)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000369683722 307126559 /nfs/dbraw/zinc/12/65/59/307126559.db2.gz OIJITKJLCSMRAM-LBPRGKRZSA-N 1 0 323.397 1.684 20 5 DDBDRO O=C(NC[C@@H]1CN2CCCC[C@H]2CO1)c1ccc([N+](=O)[O-])cc1 ZINC000371277313 307146431 /nfs/dbraw/zinc/14/64/31/307146431.db2.gz IOUNPRDBBAKCEV-LSDHHAIUSA-N 1 0 319.361 1.578 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)CNc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000371555457 307153290 /nfs/dbraw/zinc/15/32/90/307153290.db2.gz UJOFSJKOXGIUOC-IUODEOHRSA-N 1 0 318.377 1.559 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000372600820 307172278 /nfs/dbraw/zinc/17/22/78/307172278.db2.gz QBOHAKJZBKHUAI-PHIMTYICSA-N 1 0 323.324 1.466 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCCC[C@@H](CO)C2)c1 ZINC000374047160 307200444 /nfs/dbraw/zinc/20/04/44/307200444.db2.gz ANYIWNKVDZIZNQ-UKRRQHHQSA-N 1 0 324.377 1.429 20 5 DDBDRO CN1CC[NH2+]C[C@@H]1CNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000394778847 307295743 /nfs/dbraw/zinc/29/57/43/307295743.db2.gz PYBKZSXOCQRHLW-LLVKDONJSA-N 1 0 301.350 1.459 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000535224295 307653963 /nfs/dbraw/zinc/65/39/63/307653963.db2.gz GOUXTTMFEPXTSA-CYBMUJFWSA-N 1 0 320.393 1.737 20 5 DDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NC(C)(C)C[NH3+])cc1OC ZINC000562975525 307951176 /nfs/dbraw/zinc/95/11/76/307951176.db2.gz FSKHGRZECTURSS-UHFFFAOYSA-N 1 0 311.338 1.469 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CCc1nccs1 ZINC000564849027 308008477 /nfs/dbraw/zinc/00/84/77/308008477.db2.gz PPHOHJLOLSDTOT-LLVKDONJSA-N 1 0 323.374 1.623 20 5 DDBDRO CC[C@@](C)(C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)OC ZINC000566120423 308043992 /nfs/dbraw/zinc/04/39/92/308043992.db2.gz QFKLTWQQBGUFNH-HIFRSBDPSA-N 1 0 312.366 1.739 20 5 DDBDRO COc1ccc(CC(=O)N[C@H]2CC[NH2+]C2(C)C)cc1[N+](=O)[O-] ZINC000566836931 308064145 /nfs/dbraw/zinc/06/41/45/308064145.db2.gz CIOIBECVHJJVOI-ZDUSSCGKSA-N 1 0 307.350 1.403 20 5 DDBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@@H](O)C1CCOCC1 ZINC000569472978 308145339 /nfs/dbraw/zinc/14/53/39/308145339.db2.gz UDUHFCWWMPBLAY-GOEBONIOSA-N 1 0 306.362 1.959 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@@H]2C[C@H]2C2CC2)c1 ZINC000572714491 308222912 /nfs/dbraw/zinc/22/29/12/308222912.db2.gz MRULTMBSTFZBGP-BJJXKVORSA-N 1 0 306.362 1.970 20 5 DDBDRO CCc1ccc(S(=O)(=O)NCC[N@@H+](C)CC)cc1[N+](=O)[O-] ZINC000572956587 308228823 /nfs/dbraw/zinc/22/88/23/308228823.db2.gz ADKAYEQUJQJMTC-UHFFFAOYSA-N 1 0 315.395 1.387 20 5 DDBDRO O=c1onc(-c2cccc([N+](=O)[O-])c2)n1CCC1CC[NH2+]CC1 ZINC000573603968 308246828 /nfs/dbraw/zinc/24/68/28/308246828.db2.gz CTFGQDMFZYUKSK-UHFFFAOYSA-N 1 0 318.333 1.801 20 5 DDBDRO C/C=C\C[C@@H](CO)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000574323661 308268160 /nfs/dbraw/zinc/26/81/60/308268160.db2.gz FFXIRWKZYGTEJI-DLGQBQFBSA-N 1 0 307.350 1.840 20 5 DDBDRO Cc1n[nH]c(C(=O)N2CCc3ccccc3[C@H]2C[NH3+])c1[N+](=O)[O-] ZINC000576400197 308311985 /nfs/dbraw/zinc/31/19/85/308311985.db2.gz AJPVBOKXPZISKV-GFCCVEGCSA-N 1 0 315.333 1.325 20 5 DDBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]C[C@H](O)Cn1cccn1 ZINC000579345433 308524910 /nfs/dbraw/zinc/52/49/10/308524910.db2.gz CVRYVXXWQKMSQU-ZDUSSCGKSA-N 1 0 324.768 1.638 20 5 DDBDRO C[C@H]1C[C@@H](C(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000581941693 325939506 /nfs/dbraw/zinc/93/95/06/325939506.db2.gz YSZUUTBONHKYSM-RYUDHWBXSA-N 1 0 307.350 1.478 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H]1CCC[C@@H](CO)C1 ZINC000583500130 335623563 /nfs/dbraw/zinc/62/35/63/335623563.db2.gz NMNMCGNOQPODDP-HZSPNIEDSA-N 1 0 324.377 1.475 20 5 DDBDRO O=c1[nH]c(N2C[C@H]3CCC[C@@H](C2)[NH2+]3)nc2ccc([N+](=O)[O-])cc12 ZINC000582835896 337207302 /nfs/dbraw/zinc/20/73/02/337207302.db2.gz ADQTWMPAJOWWEJ-AOOOYVTPSA-N 1 0 315.333 1.574 20 5 DDBDRO COc1cc(C[N@@H+]2CC[C@@]3(CNC(=O)C3)C2)ccc1[N+](=O)[O-] ZINC000434749436 533822067 /nfs/dbraw/zinc/82/20/67/533822067.db2.gz RYOVJDIJSPTPEN-OAHLLOKOSA-N 1 0 305.334 1.315 20 5 DDBDRO COc1cc(C[NH2+][C@@H]2CCC[C@H](CO)C2)c([N+](=O)[O-])cc1O ZINC000414572655 533897562 /nfs/dbraw/zinc/89/75/62/533897562.db2.gz LODZMVCTYDMASO-CMPLNLGQSA-N 1 0 310.350 1.950 20 5 DDBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)NCC[C@H]1CCC[NH2+]1 ZINC000417234449 534461818 /nfs/dbraw/zinc/46/18/18/534461818.db2.gz PTNLZMGVZRQUBM-CYBMUJFWSA-N 1 0 306.366 1.579 20 5 DDBDRO CC[N@@H+]1CCCN(CC(=O)Nc2c(C)cccc2[N+](=O)[O-])CC1 ZINC000158198821 521612116 /nfs/dbraw/zinc/61/21/16/521612116.db2.gz MMVMAXYINCXISL-UHFFFAOYSA-N 1 0 320.393 1.869 20 5 DDBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N[C@H]1CC[NH2+]C1 ZINC000422745877 534671012 /nfs/dbraw/zinc/67/10/12/534671012.db2.gz MZIOVLFJNZKNQB-VIFPVBQESA-N 1 0 315.782 1.818 20 5 DDBDRO CC(C)(C[C@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1)C(N)=O ZINC000295687059 527231818 /nfs/dbraw/zinc/23/18/18/527231818.db2.gz SHXVCKGNDHYREL-GFCCVEGCSA-N 1 0 323.397 1.405 20 5 DDBDRO CC[N@@H+]1CC[C@@H](NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000413826058 527775281 /nfs/dbraw/zinc/77/52/81/527775281.db2.gz AFENZBMADOVWCN-CQSZACIVSA-N 1 0 318.377 1.757 20 5 DDBDRO CCOc1ccc(C(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000429175649 528394046 /nfs/dbraw/zinc/39/40/46/528394046.db2.gz KFQUHWROROVYDW-JQWIXIFHSA-N 1 0 307.350 1.803 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NCC[C@@H]2CC[NH2+]C2)c1 ZINC000422800452 528610739 /nfs/dbraw/zinc/61/07/39/528610739.db2.gz BVFGEMGFMVBCCM-NSHDSACASA-N 1 0 307.350 1.723 20 5 DDBDRO CC[N@@H+]1CCN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C[C@@H]1C ZINC000825466204 607821901 /nfs/dbraw/zinc/82/19/01/607821901.db2.gz XDKNXDXSXUGBLN-JTQLQIEISA-N 1 0 317.353 1.305 20 5 DDBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1Cn1cc([N+](=O)[O-])cn1 ZINC000111172184 696642319 /nfs/dbraw/zinc/64/23/19/696642319.db2.gz CBSMIFOYZZACDD-CQSZACIVSA-N 1 0 315.377 1.955 20 5 DDBDRO C[C@H]1C[C@@H]([NH3+])CCN1S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000125116160 696749678 /nfs/dbraw/zinc/74/96/78/696749678.db2.gz RGOBUKKUXYOBHV-IUCAKERBSA-N 1 0 317.342 1.234 20 5 DDBDRO CNC(=O)CCC[N@H+](C)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000157008201 696971890 /nfs/dbraw/zinc/97/18/90/696971890.db2.gz LZXAEAXVYAJMNF-UHFFFAOYSA-N 1 0 305.338 1.360 20 5 DDBDRO O=[N+]([O-])c1cnn(CN2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000174102729 697384248 /nfs/dbraw/zinc/38/42/48/697384248.db2.gz XEFLUOYWGFGLSN-UHFFFAOYSA-N 1 0 323.397 1.326 20 5 DDBDRO COC(=O)CC(C)(C)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000178334964 697423641 /nfs/dbraw/zinc/42/36/41/697423641.db2.gz ZXDHIHYDFASWAF-UHFFFAOYSA-N 1 0 323.349 1.773 20 5 DDBDRO COCC[NH2+]CC(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000178351542 697423948 /nfs/dbraw/zinc/42/39/48/697423948.db2.gz SSRPGIGTCTYFAR-UHFFFAOYSA-N 1 0 315.757 1.443 20 5 DDBDRO C[C@@H]1CCCN(CC[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776278232 698091586 /nfs/dbraw/zinc/09/15/86/698091586.db2.gz SMJWRJHCEFZQDU-CZUORRHYSA-N 1 0 307.394 1.950 20 5 DDBDRO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)OCCC[NH+]1CCCCC1 ZINC000800186834 700199581 /nfs/dbraw/zinc/19/95/81/700199581.db2.gz OVQSCTZJBWLUTN-UHFFFAOYSA-N 1 0 323.349 1.176 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+](CCO)Cc2cccnc2)cc1 ZINC000776586255 698122112 /nfs/dbraw/zinc/12/21/12/698122112.db2.gz LVOIGBONQSZNGK-INIZCTEOSA-N 1 0 317.345 1.518 20 5 DDBDRO COCCO[C@H]1CCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776594002 698124281 /nfs/dbraw/zinc/12/42/81/698124281.db2.gz QQMCHLJJVMRAAH-HOTGVXAUSA-N 1 0 324.377 1.756 20 5 DDBDRO CC(=O)N1CC[C@@H](C[N@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776594044 698124852 /nfs/dbraw/zinc/12/48/52/698124852.db2.gz RZAKMXGHKGMOAD-XJKSGUPXSA-N 1 0 321.377 1.428 20 5 DDBDRO Cc1ccc(C[NH2+][C@@H](CC(N)=O)C2CCOCC2)cc1[N+](=O)[O-] ZINC000776934289 698147968 /nfs/dbraw/zinc/14/79/68/698147968.db2.gz GNSRSQSEJPJQOV-AWEZNQCLSA-N 1 0 321.377 1.663 20 5 DDBDRO C[C@@H]1CN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000778355889 698267905 /nfs/dbraw/zinc/26/79/05/698267905.db2.gz MICBHXBNMNHETL-LLVKDONJSA-N 1 0 313.785 1.747 20 5 DDBDRO CC(C)(C)[C@@H](C[NH3+])NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000261596921 698428448 /nfs/dbraw/zinc/42/84/48/698428448.db2.gz XPHOQEJDNKNEBC-LLVKDONJSA-N 1 0 301.368 1.247 20 5 DDBDRO CS[C@@H]1CC[C@@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000300662595 698600368 /nfs/dbraw/zinc/60/03/68/698600368.db2.gz YWSGYEKHCXZCKI-ADEWGFFLSA-N 1 0 300.384 1.026 20 5 DDBDRO C[C@H]1C[C@@H](O)C[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000782525611 698734052 /nfs/dbraw/zinc/73/40/52/698734052.db2.gz ZHZBTKDULMWVKI-GXSJLCMTSA-N 1 0 311.313 1.518 20 5 DDBDRO COC(=O)/C(C)=C/C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000785866597 699107659 /nfs/dbraw/zinc/10/76/59/699107659.db2.gz JMAKCVUUEXKCNS-QDEBKDIKSA-N 1 0 308.338 1.548 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000424030105 699147657 /nfs/dbraw/zinc/14/76/57/699147657.db2.gz QGFQDKXYAHSZRP-MRXNPFEDSA-N 1 0 319.361 1.962 20 5 DDBDRO C[NH2+]CCOCCNC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000705959249 699243143 /nfs/dbraw/zinc/24/31/43/699243143.db2.gz OJHQWFNZAYRDKD-UHFFFAOYSA-N 1 0 301.730 1.214 20 5 DDBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000725374562 699331392 /nfs/dbraw/zinc/33/13/92/699331392.db2.gz PXUYMFWRGVKPMN-QWRGUYRKSA-N 1 0 311.363 1.110 20 5 DDBDRO C[C@@H](CC[NH+](C)C)NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000733164768 699581733 /nfs/dbraw/zinc/58/17/33/699581733.db2.gz BMJKCOSGSAZAKN-NSHDSACASA-N 1 0 319.365 1.401 20 5 DDBDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000794576984 699817442 /nfs/dbraw/zinc/81/74/42/699817442.db2.gz NEBYANBYLKXIPW-HZSPNIEDSA-N 1 0 307.350 1.133 20 5 DDBDRO CCOC[C@@H]1CCN(Cn2c(=O)oc3cccc([N+](=O)[O-])c32)C1 ZINC000794637883 699820702 /nfs/dbraw/zinc/82/07/02/699820702.db2.gz ZGKVARIMXYDACI-LLVKDONJSA-N 1 0 321.333 1.819 20 5 DDBDRO COc1ccc(C(=O)NCC[N@@H+]2CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000742242116 699869768 /nfs/dbraw/zinc/86/97/68/699869768.db2.gz YVJASPINEBNDMD-NSHDSACASA-N 1 0 307.350 1.818 20 5 DDBDRO Cc1cc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)c(N)c([N+](=O)[O-])c1 ZINC000743637069 699921082 /nfs/dbraw/zinc/92/10/82/699921082.db2.gz KXAUUXFULZNAOE-WDEREUQCSA-N 1 0 306.366 1.698 20 5 DDBDRO CC1(C)NC(=O)CC[C@H]1[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000801975365 700361751 /nfs/dbraw/zinc/36/17/51/700361751.db2.gz FTPXRNVVNSNGPA-CHWSQXEVSA-N 1 0 307.350 1.275 20 5 DDBDRO C[NH+]1CCC(CNC(=S)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000760476955 700810054 /nfs/dbraw/zinc/81/00/54/700810054.db2.gz MVQRMXVDCWCMKK-UHFFFAOYSA-N 1 0 322.434 1.901 20 5 DDBDRO C[N@@H+]1CC[C@](O)(CNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000762721636 700904765 /nfs/dbraw/zinc/90/47/65/700904765.db2.gz BSRKWECKIKRBHI-ZDUSSCGKSA-N 1 0 313.741 1.045 20 5 DDBDRO C[C@@H]1C[C@@H](NS(=O)(=O)c2csc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000768843147 701208866 /nfs/dbraw/zinc/20/88/66/701208866.db2.gz RIAPOFMRZYXWAD-BDAKNGLRSA-N 1 0 319.408 1.417 20 5 DDBDRO CC(=O)N1CCC([N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)CC1 ZINC000769425653 701244427 /nfs/dbraw/zinc/24/44/27/701244427.db2.gz JNRZDUMXEZCNGO-UHFFFAOYSA-N 1 0 303.362 1.964 20 5 DDBDRO C[NH+](C)[C@@H](CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000839695312 701788012 /nfs/dbraw/zinc/78/80/12/701788012.db2.gz DYCGMZKILHPMCF-UPJWGTAASA-N 1 0 311.769 1.724 20 5 DDBDRO C[C@@](CO)([NH2+]CC[C@H]1COC(C)(C)O1)c1cccc([N+](=O)[O-])c1 ZINC000879271088 706636161 /nfs/dbraw/zinc/63/61/61/706636161.db2.gz CXXQIIJIAHJCCC-HOCLYGCPSA-N 1 0 324.377 1.934 20 5 DDBDRO COC(=O)[C@@H]1CN(c2cccc(F)c2[N+](=O)[O-])CC[N@H+](C)C1 ZINC000840357417 702081920 /nfs/dbraw/zinc/08/19/20/702081920.db2.gz DSRUGQIBLKGFCK-JTQLQIEISA-N 1 0 311.313 1.275 20 5 DDBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000868567915 702202194 /nfs/dbraw/zinc/20/21/94/702202194.db2.gz XBJYWAYRDZNVPW-ZWNOBZJWSA-N 1 0 309.341 1.827 20 5 DDBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000818015613 702554454 /nfs/dbraw/zinc/55/44/54/702554454.db2.gz WHPAWWUQLOAMDP-HQQUCIOCSA-N 1 0 301.346 1.963 20 5 DDBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCNC1=O ZINC000866373767 706684075 /nfs/dbraw/zinc/68/40/75/706684075.db2.gz RZYIPZKYNBCTOM-PWSUYJOCSA-N 1 0 309.341 1.781 20 5 DDBDRO C[C@@H]([NH3+])[C@@H](C)NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000842008048 702654157 /nfs/dbraw/zinc/65/41/57/702654157.db2.gz VCSZUMJJSJFPPZ-VXGBXAGGSA-N 1 0 321.381 1.162 20 5 DDBDRO CON(C)C(=O)[C@H](C)[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866400230 706689669 /nfs/dbraw/zinc/68/96/69/706689669.db2.gz ZSQVIDKZGWIFJR-UWVGGRQHSA-N 1 0 313.329 1.663 20 5 DDBDRO CCN(OC)C(=O)C[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000842769414 702770648 /nfs/dbraw/zinc/77/06/48/702770648.db2.gz PQZSVOLAMIVGCW-WQLSENKSSA-N 1 0 307.350 1.998 20 5 DDBDRO Cc1cc(Cl)c(S(=O)(=O)NC[C@@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000842787543 702773724 /nfs/dbraw/zinc/77/37/24/702773724.db2.gz QBTODUITPAHOMF-ZETCQYMHSA-N 1 0 321.786 1.430 20 5 DDBDRO Cc1cc(S(=O)(=O)N[C@H](C)[C@H](C)[NH3+])cc([N+](=O)[O-])c1F ZINC000842882503 702786560 /nfs/dbraw/zinc/78/65/60/702786560.db2.gz QRPPQBPULQDFDA-JGVFFNPUSA-N 1 0 305.331 1.056 20 5 DDBDRO CN(C1CC([NH3+])C1)S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000842886063 702787358 /nfs/dbraw/zinc/78/73/58/702787358.db2.gz HKEONIIJQVUEJW-UHFFFAOYSA-N 1 0 319.770 1.358 20 5 DDBDRO C[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@H](O)C(F)(F)F ZINC000843059767 702809897 /nfs/dbraw/zinc/80/98/97/702809897.db2.gz NBEHKXIQRBRCBI-XROYCOCOSA-N 1 0 308.256 1.530 20 5 DDBDRO CC(C)C[C@@H](O)C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000843069117 702812966 /nfs/dbraw/zinc/81/29/66/702812966.db2.gz JSUQUMGSAUCHRB-KGLIPLIRSA-N 1 0 312.366 1.331 20 5 DDBDRO CC[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H](O)C(F)(F)F ZINC000843090482 702816925 /nfs/dbraw/zinc/81/69/25/702816925.db2.gz XFFRKSHDBIBMQS-QJPTWQEYSA-N 1 0 322.283 1.920 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@@H]2CCCN(CCCO)C2)cc1 ZINC000843094857 702818152 /nfs/dbraw/zinc/81/81/52/702818152.db2.gz LYRMZBKMIATLIA-ZBFHGGJFSA-N 1 0 323.393 1.065 20 5 DDBDRO [NH3+]CCc1noc(CCOc2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000843131513 702826019 /nfs/dbraw/zinc/82/60/19/702826019.db2.gz VXGFAQXBMFWVGV-UHFFFAOYSA-N 1 0 312.713 1.754 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)cc1[N+](=O)[O-] ZINC000843344057 702863100 /nfs/dbraw/zinc/86/31/00/702863100.db2.gz OJWZSIVQKFTLIW-IUCAKERBSA-N 1 0 322.321 1.634 20 5 DDBDRO C[C@@H](C[NH3+])CNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000843451645 702885108 /nfs/dbraw/zinc/88/51/08/702885108.db2.gz ANXCMNPXTQEUQS-ZETCQYMHSA-N 1 0 303.721 1.641 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000843469563 702888184 /nfs/dbraw/zinc/88/81/84/702888184.db2.gz NIVPFRYIYDVBIA-GHMZBOCLSA-N 1 0 322.321 1.811 20 5 DDBDRO Cc1cc(F)cc(C(=O)N[C@H]2C[NH2+]CCC2(F)F)c1[N+](=O)[O-] ZINC000843483469 702890540 /nfs/dbraw/zinc/89/05/40/702890540.db2.gz BDYBYPVYDBQIKF-JTQLQIEISA-N 1 0 317.267 1.769 20 5 DDBDRO Cc1cc(F)cc(C(=O)N[C@H](CC[NH3+])C(F)F)c1[N+](=O)[O-] ZINC000843484568 702891094 /nfs/dbraw/zinc/89/10/94/702891094.db2.gz UBBYCSWWMNFJHV-SECBINFHSA-N 1 0 305.256 1.755 20 5 DDBDRO CCN1C[C@H](C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)OC1=O ZINC000846881221 703346215 /nfs/dbraw/zinc/34/62/15/703346215.db2.gz QETYANKHJCFTJC-LBPRGKRZSA-N 1 0 323.353 1.269 20 5 DDBDRO CN1C[C@@H]([N@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCC1=O ZINC000846921250 703352088 /nfs/dbraw/zinc/35/20/88/703352088.db2.gz REWZLMBIIVVDEW-KBPBESRZSA-N 1 0 307.350 1.181 20 5 DDBDRO C[C@@H](COC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)[NH+]1CCCCC1 ZINC000847960861 703487321 /nfs/dbraw/zinc/48/73/21/703487321.db2.gz PEUISYRFDIGRJJ-LBPRGKRZSA-N 1 0 324.381 1.944 20 5 DDBDRO COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000831673933 706751041 /nfs/dbraw/zinc/75/10/41/706751041.db2.gz FOABJHSIEWNBAJ-QLFBSQMISA-N 1 0 322.361 1.950 20 5 DDBDRO C[C@@H]([NH2+]C[C@@H]1CN(C2CC2)C(=O)O1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000848569838 703563821 /nfs/dbraw/zinc/56/38/21/703563821.db2.gz HUZIMJTXFDCCDN-BXKDBHETSA-N 1 0 320.349 1.811 20 5 DDBDRO C[NH2+]C[C@H](C)NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000851657552 703824218 /nfs/dbraw/zinc/82/42/18/703824218.db2.gz FOPBLBIUHACNAZ-QMMMGPOBSA-N 1 0 300.746 1.655 20 5 DDBDRO CCO[C@H](CNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)C[NH+](C)C ZINC000831776993 706777828 /nfs/dbraw/zinc/77/78/28/706777828.db2.gz OLYQDDHLOBWBFR-YYRKOSNBSA-N 1 0 321.377 1.691 20 5 DDBDRO Cc1c(C(=O)N2C[C@@H](C[NH3+])C[C@H]2C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000818563452 703926863 /nfs/dbraw/zinc/92/68/63/703926863.db2.gz MJNYUULYAYUBAD-PSASIEDQSA-N 1 0 322.321 1.621 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000866720830 706775480 /nfs/dbraw/zinc/77/54/80/706775480.db2.gz OOJGJMIKEIVYSX-HIFRSBDPSA-N 1 0 318.377 1.668 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+](CCOCCO)C2CCC2)c1 ZINC000852291383 703998482 /nfs/dbraw/zinc/99/84/82/703998482.db2.gz WBLRVJPBMPZDJU-MRXNPFEDSA-N 1 0 324.377 1.492 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCC[C@@](O)(C3CC3)C2)c1 ZINC000852500983 704064804 /nfs/dbraw/zinc/06/48/04/704064804.db2.gz HFWBVBZQQYVKLA-HOTGVXAUSA-N 1 0 306.362 1.865 20 5 DDBDRO CC(C)(C)OC(=O)CC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819096911 704069261 /nfs/dbraw/zinc/06/92/61/704069261.db2.gz ADHACHFCNGXIBK-ZDUSSCGKSA-N 1 0 310.350 1.950 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2CCO[C@@]3(CCOC3)C2)c1 ZINC000819203715 704086099 /nfs/dbraw/zinc/08/60/99/704086099.db2.gz LKRUUSTWXFBFRB-BMFZPTHFSA-N 1 0 322.361 1.556 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCC2(O)CCOCC2)c1 ZINC000819303598 704103949 /nfs/dbraw/zinc/10/39/49/704103949.db2.gz GSSYCIVBROPJRP-AWEZNQCLSA-N 1 0 310.350 1.149 20 5 DDBDRO C[C@@H](Cc1cnn(C)c1)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819353141 704111640 /nfs/dbraw/zinc/11/16/40/704111640.db2.gz MIJWPPPUZMZNME-NHYWBVRUSA-N 1 0 304.350 1.583 20 5 DDBDRO Cc1n[nH]cc1CCC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819390995 704119489 /nfs/dbraw/zinc/11/94/89/704119489.db2.gz WFPKWOAFZSAGDQ-HNNXBMFYSA-N 1 0 304.350 1.882 20 5 DDBDRO C[C@@H](C[C@@H]1CCCC[N@@H+]1C)OC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000870789997 704133024 /nfs/dbraw/zinc/13/30/24/704133024.db2.gz LXJYCTUEUGYULM-RYUDHWBXSA-N 1 0 310.354 1.597 20 5 DDBDRO CC(C)(NC(=O)C1=NO[C@@H](C[NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC000852849716 704147407 /nfs/dbraw/zinc/14/74/07/704147407.db2.gz KJZLWFLMRWGCNP-LLVKDONJSA-N 1 0 306.322 1.050 20 5 DDBDRO Nc1ccc(NC2CC[NH+](C[C@@H]3CCCO3)CC2)nc1[N+](=O)[O-] ZINC000853160811 704206960 /nfs/dbraw/zinc/20/69/60/704206960.db2.gz FLROPUAJSPGNSH-LBPRGKRZSA-N 1 0 321.381 1.627 20 5 DDBDRO COCCC[N@H+](C)CCNC(=O)c1c(C)ccc([N+](=O)[O-])c1C ZINC000820266223 704249589 /nfs/dbraw/zinc/24/95/89/704249589.db2.gz YDDKBVKDJWWHEY-UHFFFAOYSA-N 1 0 323.393 1.910 20 5 DDBDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000855899216 704505384 /nfs/dbraw/zinc/50/53/84/704505384.db2.gz INGIBXUTYAVJHX-LLVKDONJSA-N 1 0 321.381 1.422 20 5 DDBDRO [NH3+]C[C@@H](NC(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000857765968 704622123 /nfs/dbraw/zinc/62/21/23/704622123.db2.gz WAGCQYAPBHWSLS-LLVKDONJSA-N 1 0 315.276 1.420 20 5 DDBDRO Cc1cc(S(=O)(=O)N(C)C[C@H](C)[NH3+])c(C)cc1[N+](=O)[O-] ZINC000858640424 704738580 /nfs/dbraw/zinc/73/85/80/704738580.db2.gz RAMFFQBQRGTIMS-JTQLQIEISA-N 1 0 301.368 1.179 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(N2CCC(C)([NH+]3CCOCC3)CC2)n1 ZINC000858765809 704754632 /nfs/dbraw/zinc/75/46/32/704754632.db2.gz ZUMRWXYSHZNRTJ-UHFFFAOYSA-N 1 0 320.393 1.989 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)NCC[N@@H+]1CCCC1(C)C ZINC000822144226 704884390 /nfs/dbraw/zinc/88/43/90/704884390.db2.gz TVQLIXCCOZMLBK-UHFFFAOYSA-N 1 0 309.370 1.090 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@@](O)(c3ccccc3)C2)c1 ZINC000859586996 704944723 /nfs/dbraw/zinc/94/47/23/704944723.db2.gz VYJNJWWJOWWCEC-INIZCTEOSA-N 1 0 316.361 1.775 20 5 DDBDRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000874836565 705193687 /nfs/dbraw/zinc/19/36/87/705193687.db2.gz GJWXXFVAYULFIT-GJZGRUSLSA-N 1 0 303.362 1.832 20 5 DDBDRO CCC[NH+]1CCN(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000823980396 705348787 /nfs/dbraw/zinc/34/87/87/705348787.db2.gz MEDMQOOXRAZMTG-UHFFFAOYSA-N 1 0 307.354 1.737 20 5 DDBDRO Nc1ccc(NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000824003221 705352927 /nfs/dbraw/zinc/35/29/27/705352927.db2.gz SYPNBSUMTQFFHB-OLZOCXBDSA-N 1 0 319.365 1.925 20 5 DDBDRO O=C(/C=C\[C@H]1CCC[NH2+]C1)NCCc1ccc([N+](=O)[O-])cc1 ZINC000876613491 705784384 /nfs/dbraw/zinc/78/43/84/705784384.db2.gz PWHIAQWLMDPUBQ-BMWLXYDHSA-N 1 0 303.362 1.809 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H](CO)C3CC3)CC2)cn1 ZINC000877044972 705970690 /nfs/dbraw/zinc/97/06/90/705970690.db2.gz MWPGJJPEGAPDKA-CQSZACIVSA-N 1 0 306.366 1.319 20 5 DDBDRO COc1cc(C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000827329461 705977111 /nfs/dbraw/zinc/97/71/11/705977111.db2.gz GPTJISULARIDQJ-STQMWFEESA-N 1 0 319.361 1.770 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(F)cc([N+](=O)[O-])c3N)CC[C@H]21 ZINC000827338032 705979730 /nfs/dbraw/zinc/97/97/30/705979730.db2.gz NADCRRXYAWFPCD-BXKDBHETSA-N 1 0 322.340 1.482 20 5 DDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]CCCNc3ccccn3)C2)c1 ZINC000877157635 706001220 /nfs/dbraw/zinc/00/12/20/706001220.db2.gz VJWJGTVUPNXGDF-UHFFFAOYSA-N 1 0 316.365 1.982 20 5 DDBDRO COC(=O)C1(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CCCC1 ZINC000877311963 706058928 /nfs/dbraw/zinc/05/89/28/706058928.db2.gz AIRYWGLLZPLFTG-UHFFFAOYSA-N 1 0 322.365 1.818 20 5 DDBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000877394535 706093757 /nfs/dbraw/zinc/09/37/57/706093757.db2.gz VSILITKJYWQYBT-HOCLYGCPSA-N 1 0 303.362 1.928 20 5 DDBDRO CN1CCN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C(C)(C)C1 ZINC000828145559 706127335 /nfs/dbraw/zinc/12/73/35/706127335.db2.gz MHRFTKIOLOPHNN-ZDUSSCGKSA-N 1 0 307.350 1.181 20 5 DDBDRO O=[N+]([O-])c1ccc(NC[C@@H]2CCC[N@H+]2CCCO)c2nonc21 ZINC000828421130 706176120 /nfs/dbraw/zinc/17/61/20/706176120.db2.gz IXDFKAZKQDEQIT-JTQLQIEISA-N 1 0 321.337 1.390 20 5 DDBDRO C[N@@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)C1 ZINC000881915339 707423046 /nfs/dbraw/zinc/42/30/46/707423046.db2.gz LMGZINVJFMMSBM-NSHDSACASA-N 1 0 318.377 1.851 20 5 DDBDRO C[C@H]1CN(CCO)CCN1c1nc2ccc([N+](=O)[O-])cc2s1 ZINC000829576548 706359690 /nfs/dbraw/zinc/35/96/90/706359690.db2.gz CHOCHPCWFVQGIU-JTQLQIEISA-N 1 0 322.390 1.707 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC2(CC1)OCCCO2 ZINC000878651696 706456824 /nfs/dbraw/zinc/45/68/24/706456824.db2.gz DONHRLJQYMIENV-UHFFFAOYSA-N 1 0 310.354 1.329 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(c3cc(F)c([N+](=O)[O-])cc3CO)C[C@@H]2C1 ZINC000865905873 706559258 /nfs/dbraw/zinc/55/92/58/706559258.db2.gz ZRCNBTSRWIPGHK-PWSUYJOCSA-N 1 0 309.341 1.614 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCC3(CCCCO3)CC2)c1 ZINC000880455444 706980477 /nfs/dbraw/zinc/98/04/77/706980477.db2.gz SORAZYOZDSUPRU-AWEZNQCLSA-N 1 0 324.381 1.187 20 5 DDBDRO [NH3+][C@H]1CCC[C@@H](NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000834594392 707091490 /nfs/dbraw/zinc/09/14/90/707091490.db2.gz SUHAJGFAOLASTF-NWDGAFQWSA-N 1 0 317.349 1.331 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(Cn3ncc4ccc([N+](=O)[O-])cc43)CC[C@H]21 ZINC000872726657 707574042 /nfs/dbraw/zinc/57/40/42/707574042.db2.gz UEAOAUKBONLFGV-UKRRQHHQSA-N 1 0 315.377 1.928 20 5 DDBDRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2c1ccc([N+](=O)[O-])c2nonc21 ZINC000872780115 707597034 /nfs/dbraw/zinc/59/70/34/707597034.db2.gz JPCLUSJEILYYIA-ZJUUUORDSA-N 1 0 303.322 1.804 20 5 DDBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000882485670 707656287 /nfs/dbraw/zinc/65/62/87/707656287.db2.gz JVZNITCCGGHANI-GFCCVEGCSA-N 1 0 307.350 1.356 20 5 DDBDRO CNC(=O)CN1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000873012600 707694200 /nfs/dbraw/zinc/69/42/00/707694200.db2.gz KHHCQBYMNBPJLC-UHFFFAOYSA-N 1 0 320.393 1.203 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H]1CCCS(=O)(=O)C1 ZINC000873054753 707711867 /nfs/dbraw/zinc/71/18/67/707711867.db2.gz VPWQEVQZAGZGIH-LBPRGKRZSA-N 1 0 312.391 1.878 20 5 DDBDRO Cc1c(C[NH2+]C[C@H](C)CN2CCOCC2)cccc1[N+](=O)[O-] ZINC000873056801 707712128 /nfs/dbraw/zinc/71/21/28/707712128.db2.gz KBCNLNJXDWMYLB-ZDUSSCGKSA-N 1 0 307.394 1.961 20 5 DDBDRO Cc1c(C[NH2+][C@@H]2CCc3nnnn3CC2)cccc1[N+](=O)[O-] ZINC000873132561 707744147 /nfs/dbraw/zinc/74/41/47/707744147.db2.gz XORKMGXSFDCEOW-GFCCVEGCSA-N 1 0 302.338 1.384 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)[NH2+]C[C@@H]2CC=CCC2)cc1 ZINC000873192414 707762707 /nfs/dbraw/zinc/76/27/07/707762707.db2.gz AXIRJYUOEFHTJV-DAXOMENPSA-N 1 0 306.362 1.935 20 5 DDBDRO C[C@H]1CN(c2ncc([N+](=O)[O-])cn2)CCN1c1cc[nH+]cc1 ZINC000882822011 707809077 /nfs/dbraw/zinc/80/90/77/707809077.db2.gz QTQIXYCHVBROOZ-NSHDSACASA-N 1 0 300.322 1.495 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CCOC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000873384797 707832084 /nfs/dbraw/zinc/83/20/84/707832084.db2.gz QMBXOKUHDJXVGI-QWRGUYRKSA-N 1 0 310.354 1.516 20 5 DDBDRO CC[N@@H+]1CC[C@H]1CNc1ccc(CC(=O)OC)cc1[N+](=O)[O-] ZINC000882959841 707873980 /nfs/dbraw/zinc/87/39/80/707873980.db2.gz RSHDPONSCPBRBF-LBPRGKRZSA-N 1 0 307.350 1.816 20 5 DDBDRO CS(=O)(=O)[C@H]1C[C@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000883376570 707987755 /nfs/dbraw/zinc/98/77/55/707987755.db2.gz OJNIWVZPVWFSFR-GIPNMCIBSA-N 1 0 310.375 1.747 20 5 DDBDRO CC[N@@H+]1CC[C@H]1CNC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000883893571 708077174 /nfs/dbraw/zinc/07/71/74/708077174.db2.gz NRNGQFXMOGTTDZ-ZDUSSCGKSA-N 1 0 306.366 1.830 20 5 DDBDRO C[C@H]1COC[C@@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000896732489 708135204 /nfs/dbraw/zinc/13/52/04/708135204.db2.gz GNNSZTJDWRPHPQ-FZMZJTMJSA-N 1 0 306.366 1.583 20 5 DDBDRO CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000884348532 708256449 /nfs/dbraw/zinc/25/64/49/708256449.db2.gz BIRFPWFZCXDYBN-VXGBXAGGSA-N 1 0 309.391 1.929 20 5 DDBDRO Cc1cnc(N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)c([N+](=O)[O-])c1 ZINC000897221608 708259455 /nfs/dbraw/zinc/25/94/55/708259455.db2.gz NSDXAKLRZJVJLE-CHWSQXEVSA-N 1 0 306.366 1.334 20 5 DDBDRO COCC[C@@H]([NH3+])C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000884377904 708270348 /nfs/dbraw/zinc/27/03/48/708270348.db2.gz ZKLOQNHETTUABV-CQSZACIVSA-N 1 0 307.350 1.450 20 5 DDBDRO C[N@H+](CCO)CCNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000884823607 708387528 /nfs/dbraw/zinc/38/75/28/708387528.db2.gz XVUKWZUFWMFBTN-UHFFFAOYSA-N 1 0 307.272 1.950 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@H]3C[C@]34CCOC4)CC2)cn1 ZINC000885937554 708666701 /nfs/dbraw/zinc/66/67/01/708666701.db2.gz CFRICXNOFBXJQM-CJNGLKHVSA-N 1 0 318.377 1.538 20 5 DDBDRO CNC(=O)CC[C@@H]1CCCC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886204768 708714298 /nfs/dbraw/zinc/71/42/98/708714298.db2.gz PXFXQDOGCLSVPZ-ZDUSSCGKSA-N 1 0 306.366 1.871 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886340412 708745708 /nfs/dbraw/zinc/74/57/08/708745708.db2.gz GMHYNIZZCYVGGW-PHIMTYICSA-N 1 0 305.334 1.884 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000886568813 708778001 /nfs/dbraw/zinc/77/80/01/708778001.db2.gz WWTDEZXCZGGUPV-XQQFMLRXSA-N 1 0 324.402 1.629 20 5 DDBDRO Cn1c(C(=O)N[C@H]2C[C@H]([NH+](C)C)C23CCC3)ccc1[N+](=O)[O-] ZINC000898843784 708887389 /nfs/dbraw/zinc/88/73/89/708887389.db2.gz AWEVDMMZXFCKIT-RYUDHWBXSA-N 1 0 306.366 1.536 20 5 DDBDRO O=[N+]([O-])CC[NH2+]C[C@H](c1ccccc1Cl)N1CCOCC1 ZINC000899869412 709222498 /nfs/dbraw/zinc/22/24/98/709222498.db2.gz FMOORTKOSHXACW-CQSZACIVSA-N 1 0 313.785 1.580 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000899937552 709243477 /nfs/dbraw/zinc/24/34/77/709243477.db2.gz PRDZIFXFLGIJKW-ZDUSSCGKSA-N 1 0 319.361 1.871 20 5 DDBDRO C[C@@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)c1c([N+](=O)[O-])cnn1C ZINC000912808938 713098294 /nfs/dbraw/zinc/09/82/94/713098294.db2.gz BXOVKSVFTOCWPS-RYUDHWBXSA-N 1 0 323.397 1.521 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912924184 713125908 /nfs/dbraw/zinc/12/59/08/713125908.db2.gz STBQDKOMEKLYMU-ZDUSSCGKSA-N 1 0 318.377 1.581 20 5 DDBDRO CCOc1ccc(C(=O)N2CC[C@H]([NH+]3CCC3)C2)cc1[N+](=O)[O-] ZINC000912924042 713126252 /nfs/dbraw/zinc/12/62/52/713126252.db2.gz PDJCBNBHYPILAZ-ZDUSSCGKSA-N 1 0 319.361 1.914 20 5 DDBDRO CCCc1n[nH]c(C(=O)N2CCC[N@H+](CC)C[C@@H]2C)c1[N+](=O)[O-] ZINC000910284317 709865427 /nfs/dbraw/zinc/86/54/27/709865427.db2.gz NIMKYRAVKUSFPO-NSHDSACASA-N 1 0 323.397 1.827 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N(C)CC(C)(C)C[NH+](C)C)n1 ZINC000890880445 710018778 /nfs/dbraw/zinc/01/87/78/710018778.db2.gz GRZNXZLBLAKGAP-UHFFFAOYSA-N 1 0 311.386 1.471 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)CC(C)(C)C[NH+](C)C ZINC000890883842 710020554 /nfs/dbraw/zinc/02/05/54/710020554.db2.gz PXXUSKOFYKWTFO-UHFFFAOYSA-N 1 0 311.386 1.146 20 5 DDBDRO O=C(NCc1cccc([N+](=O)[O-])c1)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000891446819 710203861 /nfs/dbraw/zinc/20/38/61/710203861.db2.gz RDZAUUIBUKMURS-BTTYYORXSA-N 1 0 318.377 1.925 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000892600236 710467101 /nfs/dbraw/zinc/46/71/01/710467101.db2.gz HLOTUIUHEPFLRV-NSHDSACASA-N 1 0 309.370 1.241 20 5 DDBDRO C[C@]1(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)C[NH+]2CCC1CC2 ZINC000892782722 710497653 /nfs/dbraw/zinc/49/76/53/710497653.db2.gz BDZZGTPSLYTOHA-HNNXBMFYSA-N 1 0 307.325 1.948 20 5 DDBDRO C[NH+]1C[C@@]2(C)CN(C(=O)Cc3ccc([N+](=O)[O-])cc3)C[C@]2(C)C1 ZINC000913295352 713193850 /nfs/dbraw/zinc/19/38/50/713193850.db2.gz SLKIBWDMHJBSCS-IRXDYDNUSA-N 1 0 317.389 1.938 20 5 DDBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902473027 710764573 /nfs/dbraw/zinc/76/45/73/710764573.db2.gz OPCMLNLHQFCBLC-WAZAZEMKSA-N 1 0 318.377 1.794 20 5 DDBDRO C[N@@H+]1CC[C@@H](C(=O)NCc2cc(F)c(Cl)c([N+](=O)[O-])c2)C1 ZINC000913385146 713206541 /nfs/dbraw/zinc/20/65/41/713206541.db2.gz RFZJHNOKWRKRPD-SECBINFHSA-N 1 0 315.732 1.955 20 5 DDBDRO C[C@H]1CC[N@H+](CCNC(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000893875808 710870097 /nfs/dbraw/zinc/87/00/97/710870097.db2.gz GACKTYCAQNEGBL-ZDUSSCGKSA-N 1 0 320.393 1.778 20 5 DDBDRO CC1(C)C[NH2+]CCN1C(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC000911847834 711030422 /nfs/dbraw/zinc/03/04/22/711030422.db2.gz RJHXQWQVRBHCEZ-UHFFFAOYSA-N 1 0 309.341 1.877 20 5 DDBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cnc2n1CCOC2 ZINC000894274194 711046980 /nfs/dbraw/zinc/04/69/80/711046980.db2.gz ZWYJIVYJXSFPNQ-UHFFFAOYSA-N 1 0 316.361 1.996 20 5 DDBDRO COc1cc([C@H](C)[NH2+]CC[C@@]2(O)CCOC2)cc([N+](=O)[O-])c1 ZINC000903194147 711060235 /nfs/dbraw/zinc/06/02/35/711060235.db2.gz JFWGPUGNWGUEGM-XHDPSFHLSA-N 1 0 310.350 1.796 20 5 DDBDRO COC(=O)[C@H]1[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1(F)F ZINC000894385506 711097942 /nfs/dbraw/zinc/09/79/42/711097942.db2.gz ODQZAIHONXKVEE-GHMZBOCLSA-N 1 0 300.261 1.739 20 5 DDBDRO [NH3+][C@@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1C(F)(F)F ZINC000903518503 711164518 /nfs/dbraw/zinc/16/45/18/711164518.db2.gz QPQOHOKJPJWPBF-VXGBXAGGSA-N 1 0 319.283 1.795 20 5 DDBDRO CN(CC[N@H+](C)CCO)c1ccc2cnccc2c1[N+](=O)[O-] ZINC000894590351 711197953 /nfs/dbraw/zinc/19/79/53/711197953.db2.gz DWDDPODZDOQLDK-UHFFFAOYSA-N 1 0 304.350 1.503 20 5 DDBDRO C[C@@]1(NC(=O)Cc2cccc(F)c2[N+](=O)[O-])C[NH+]2CCC1CC2 ZINC000912373399 711297854 /nfs/dbraw/zinc/29/78/54/711297854.db2.gz CIWOTYQFCMQDIO-MRXNPFEDSA-N 1 0 321.352 1.877 20 5 DDBDRO COc1c(O)ccc(C[N@@H+]2CCC[C@@H](CO)[C@H]2C)c1[N+](=O)[O-] ZINC000894940592 711329940 /nfs/dbraw/zinc/32/99/40/711329940.db2.gz UHQNOCLNVBUOGF-PWSUYJOCSA-N 1 0 310.350 1.902 20 5 DDBDRO C[NH+](C)C[C@@]1(O)CCN(c2ccc([N+](=O)[O-])c3cccnc32)C1 ZINC000895008872 711364655 /nfs/dbraw/zinc/36/46/55/711364655.db2.gz HFMCZMJWNGNQHG-INIZCTEOSA-N 1 0 316.361 1.646 20 5 DDBDRO C[NH+](C)C[C@]1(O)CCN(c2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000895010911 711366440 /nfs/dbraw/zinc/36/64/40/711366440.db2.gz XXWILLVOUGEARS-MRXNPFEDSA-N 1 0 316.361 1.646 20 5 DDBDRO Cc1cc(NC[C@H]2CC[N@@H+]2C2CCOCC2)ncc1[N+](=O)[O-] ZINC000896521708 711737558 /nfs/dbraw/zinc/73/75/58/711737558.db2.gz LDTTUFGCXZSMSC-CYBMUJFWSA-N 1 0 306.366 1.963 20 5 DDBDRO O=C(NC12CC[NH+](CC1)C2)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000913634702 713273704 /nfs/dbraw/zinc/27/37/04/713273704.db2.gz AHHQXLLUUIAOJT-UONOGXRCSA-N 1 0 301.346 1.663 20 5 DDBDRO CC(C)(CCC(=O)N1CC[NH+](CCCCCO)CC1)[N+](=O)[O-] ZINC000913694433 713284052 /nfs/dbraw/zinc/28/40/52/713284052.db2.gz PEBFHXIIMBSZQC-UHFFFAOYSA-N 1 0 315.414 1.129 20 5 DDBDRO C[C@@H](NCC[N+](=O)[O-])c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000905084051 711930985 /nfs/dbraw/zinc/93/09/85/711930985.db2.gz YTPLNLHSBANVKW-GFCCVEGCSA-N 1 0 310.373 1.505 20 5 DDBDRO CC(C)(C)OC(=O)NC[C@H]1CC[C@H]([NH2+]CC[N+](=O)[O-])CC1 ZINC000905402963 712029048 /nfs/dbraw/zinc/02/90/48/712029048.db2.gz DTIHYSMDWVPMIY-HAQNSBGRSA-N 1 0 301.387 1.936 20 5 DDBDRO CCN1CC[C@H]1C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000905443011 712038515 /nfs/dbraw/zinc/03/85/15/712038515.db2.gz XFWIQLAAHRZPND-UONOGXRCSA-N 1 0 309.366 1.018 20 5 DDBDRO CC1(C)O[C@@H]2C[C@@H]([NH2+]C[C@H](O)c3ccc([N+](=O)[O-])cc3)C[C@@H]2O1 ZINC000905609158 712093652 /nfs/dbraw/zinc/09/36/52/712093652.db2.gz PBBWJVOWVOFSQZ-CYUUQNCZSA-N 1 0 322.361 1.900 20 5 DDBDRO O=[N+]([O-])c1ccc2cnn(C[N@@H+]3CC[C@H](C4OCCO4)C3)c2c1 ZINC000905696117 712121885 /nfs/dbraw/zinc/12/18/85/712121885.db2.gz UKGSJNMPSQNUSK-LBPRGKRZSA-N 1 0 318.333 1.597 20 5 DDBDRO O=C(NC1CC2(C1)CC([NH2+]CCC1CC1)C2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000963790214 717907575 /nfs/dbraw/zinc/90/75/75/717907575.db2.gz GROJBFIDYOEPQA-QAALLOGESA-N 1 0 307.394 1.469 20 5 DDBDRO O=C(NC[C@@H]1CCCN(CC[N+](=O)[O-])C1)OCc1ccccc1 ZINC000930284975 713793675 /nfs/dbraw/zinc/79/36/75/713793675.db2.gz KAGRYUWQPMAFOJ-HNNXBMFYSA-N 1 0 321.377 1.902 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CCN1C[C@]2(C)C[N@@H+](C)C[C@]2(C)C1 ZINC000931319148 714065761 /nfs/dbraw/zinc/06/57/61/714065761.db2.gz XEGMCOKIHKETRR-GASCZTMLSA-N 1 0 307.398 1.373 20 5 DDBDRO O=[N+]([O-])c1ccccc1C[NH2+]CC1(O)CCC2(CC1)OCCO2 ZINC000922624187 714103613 /nfs/dbraw/zinc/10/36/13/714103613.db2.gz VUHDEHKWPSNKEP-UHFFFAOYSA-N 1 0 322.361 1.733 20 5 DDBDRO COCC[N@H+](C)CCNC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000931627342 714141882 /nfs/dbraw/zinc/14/18/82/714141882.db2.gz NVLMIROGUDLLCA-GJZGRUSLSA-N 1 0 321.377 1.393 20 5 DDBDRO Cn1nccc1[C@H](O)C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000922974535 714201606 /nfs/dbraw/zinc/20/16/06/714201606.db2.gz XCLJKXQLKSDLIH-CYBMUJFWSA-N 1 0 310.741 1.805 20 5 DDBDRO C[NH2+][C@@H]1CCCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000923284308 714297408 /nfs/dbraw/zinc/29/74/08/714297408.db2.gz LPKMIQAESRSSKO-OLZOCXBDSA-N 1 0 309.366 1.018 20 5 DDBDRO C[NH2+]C1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000923286062 714297639 /nfs/dbraw/zinc/29/76/39/714297639.db2.gz GSOOBVIPLSQJSH-CQSZACIVSA-N 1 0 309.366 1.018 20 5 DDBDRO COC(C)(C)[C@@H](C)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000932366251 714318347 /nfs/dbraw/zinc/31/83/47/714318347.db2.gz AURXGQONTQWXTO-DGCLKSJQSA-N 1 0 312.366 1.738 20 5 DDBDRO COC(C)(C)[C@@H](C)[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000932369201 714319035 /nfs/dbraw/zinc/31/90/35/714319035.db2.gz CZRQILDOFBWPNT-LLVKDONJSA-N 1 0 321.377 1.887 20 5 DDBDRO CCN(C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000923423542 714351339 /nfs/dbraw/zinc/35/13/39/714351339.db2.gz BREDDTXGIYARMU-OLZOCXBDSA-N 1 0 309.366 1.018 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)CN2CC[NH2+]CCC23CCC3)c1 ZINC000923426549 714352089 /nfs/dbraw/zinc/35/20/89/714352089.db2.gz NZNVBGOXSOGTTQ-HNNXBMFYSA-N 1 0 305.378 1.846 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC[C@@H]3CC[NH2+][C@@H]3C2)c1 ZINC000923459124 714362663 /nfs/dbraw/zinc/36/26/63/714362663.db2.gz ZZDSOBJJSNTOKM-JGGQBBKZSA-N 1 0 321.377 1.018 20 5 DDBDRO C[C@H]1CN(C)C[C@@H](c2nc(Cc3ccccc3[N+](=O)[O-])no2)O1 ZINC000923761569 714465701 /nfs/dbraw/zinc/46/57/01/714465701.db2.gz SCDRJEYGDDFERZ-GWCFXTLKSA-N 1 0 318.333 1.960 20 5 DDBDRO C[C@H]([NH2+][C@H]1C(=O)NCC12CCOCC2)c1cccc([N+](=O)[O-])c1 ZINC000933038708 714506049 /nfs/dbraw/zinc/50/60/49/714506049.db2.gz HAAPZPVCCVYPRC-FZMZJTMJSA-N 1 0 319.361 1.541 20 5 DDBDRO O=[N+]([O-])c1cccc2ccc(N3CCN4CC[NH2+]C[C@@H]4C3)nc21 ZINC001164398919 718833108 /nfs/dbraw/zinc/83/31/08/718833108.db2.gz MGOOTIHVJADOGC-CYBMUJFWSA-N 1 0 313.361 1.237 20 5 DDBDRO CCC[C@H]1CN(c2cc(N)c([N+](=O)[O-])cn2)CC[N@@H+]1CCOC ZINC001120913542 782230746 /nfs/dbraw/zinc/23/07/46/782230746.db2.gz RMVCOPPSEZGDGI-LBPRGKRZSA-N 1 0 323.397 1.509 20 5 DDBDRO O=[N+]([O-])c1cnc(-n2ccnc2[C@@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001167056957 732365660 /nfs/dbraw/zinc/36/56/60/732365660.db2.gz RBXGMXRFKSQOIE-SECBINFHSA-N 1 0 318.293 1.551 20 5 DDBDRO [NH3+]Cc1cnc2c(ccn2-c2ccc([N+](=O)[O-])c3c2CNC3=O)c1 ZINC001167316465 733149595 /nfs/dbraw/zinc/14/95/95/733149595.db2.gz WSDSXOJNOUAZPO-UHFFFAOYSA-N 1 0 323.312 1.636 20 5 DDBDRO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC001121198264 782404655 /nfs/dbraw/zinc/40/46/55/782404655.db2.gz GKCMRVLRHFYRKH-BFHYXJOUSA-N 1 0 303.362 1.594 20 5 DDBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1)c1ncc[nH]1 ZINC001022055132 734363949 /nfs/dbraw/zinc/36/39/49/734363949.db2.gz IZOBMPIGNMQJRC-AOOOYVTPSA-N 1 0 321.362 1.430 20 5 DDBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccncc2Cl)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001022063393 734368662 /nfs/dbraw/zinc/36/86/62/734368662.db2.gz AJIBGEZTJYTBOP-LSCVPOLPSA-N 1 0 324.768 1.137 20 5 DDBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1)C(F)F ZINC001019911623 736942631 /nfs/dbraw/zinc/94/26/31/736942631.db2.gz INWFLIADYUZJMR-ZKCHVHJHSA-N 1 0 305.306 1.658 20 5 DDBDRO C[C@H]1CCCC[N@@H+]1CCCNc1cc([N+](=O)[O-])c(=O)n(C)c1 ZINC001167751024 737702020 /nfs/dbraw/zinc/70/20/20/737702020.db2.gz DJMOUXAGUSFNSO-LBPRGKRZSA-N 1 0 308.382 1.970 20 5 DDBDRO COc1c(O)ccc(C[NH2+][C@@H]2CCC[C@H]2CCO)c1[N+](=O)[O-] ZINC001181125089 743073734 /nfs/dbraw/zinc/07/37/34/743073734.db2.gz JAZZXTCUXGXRRQ-CMPLNLGQSA-N 1 0 310.350 1.950 20 5 DDBDRO CCCn1cc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])nn1 ZINC001181556312 743242472 /nfs/dbraw/zinc/24/24/72/743242472.db2.gz UTAFOIUKBWLLQB-UHFFFAOYSA-N 1 0 304.354 1.562 20 5 DDBDRO Cc1c(C(=O)Nc2c([N+](=O)[O-])cnn2C)ccc2c[nH+]cn21 ZINC001128217352 743299133 /nfs/dbraw/zinc/29/91/33/743299133.db2.gz VUOMNEVPOGWWOK-UHFFFAOYSA-N 1 0 300.278 1.537 20 5 DDBDRO Cc1ccncc1C[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001002782156 743423783 /nfs/dbraw/zinc/42/37/83/743423783.db2.gz JMOQWDFKAWMESH-HUUCEWRRSA-N 1 0 318.377 1.136 20 5 DDBDRO NC(=[NH2+])c1nccn1-c1ccc(-c2cccc([N+](=O)[O-])c2)nn1 ZINC001168409765 744144693 /nfs/dbraw/zinc/14/46/93/744144693.db2.gz HTVSYRZNNLXMIB-UHFFFAOYSA-N 1 0 309.289 1.522 20 5 DDBDRO CCN(CCNc1ncccc1[N+](=O)[O-])C(=O)Cc1ncc[nH]1 ZINC001106829231 746272457 /nfs/dbraw/zinc/27/24/57/746272457.db2.gz IHBHBNLTQAGBPP-UHFFFAOYSA-N 1 0 318.337 1.216 20 5 DDBDRO O=C1N[C@@H]2C[N@H+](CCOc3ccc([N+](=O)[O-])cc3)CC[C@H]2CO1 ZINC001195809022 746712229 /nfs/dbraw/zinc/71/22/29/746712229.db2.gz FYYFZFWGCHCDLD-SMDDNHRTSA-N 1 0 321.333 1.404 20 5 DDBDRO Cc1ncn(-c2nccc(N)c2[N+](=O)[O-])c1CSCC[NH3+] ZINC001168787191 761948874 /nfs/dbraw/zinc/94/88/74/761948874.db2.gz AMHRJFANSSNXDY-UHFFFAOYSA-N 1 0 308.367 1.258 20 5 DDBDRO CN(CCCNC(=O)C[NH+]1CCCC1)c1ncccc1[N+](=O)[O-] ZINC001095560738 750040276 /nfs/dbraw/zinc/04/02/76/750040276.db2.gz YHUGTUDMRLGFOQ-UHFFFAOYSA-N 1 0 321.381 1.028 20 5 DDBDRO COCCC1(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001129039135 751129723 /nfs/dbraw/zinc/12/97/23/751129723.db2.gz PDCOWKACFIEHKP-UHFFFAOYSA-N 1 0 321.377 1.617 20 5 DDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+][C@H]2CCCN(c3ncccn3)C2)C1 ZINC001168999787 762171848 /nfs/dbraw/zinc/17/18/48/762171848.db2.gz VRKWZQGORYLOGB-MJBXVCDLSA-N 1 0 305.382 1.480 20 5 DDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CCOc2ccc3c(c2)OCO3)C1 ZINC001168986808 762179866 /nfs/dbraw/zinc/17/98/66/762179866.db2.gz ZRTLONOXQNGQNP-RYUDHWBXSA-N 1 0 308.334 1.829 20 5 DDBDRO CCOC(=O)C1(F)CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169026393 762203300 /nfs/dbraw/zinc/20/33/00/762203300.db2.gz LOXNQPPFMYWWNG-RYUDHWBXSA-N 1 0 302.346 1.799 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@H](N(c2ncc(F)cn2)C2CC[NH2+]CC2)C1 ZINC001169048316 762205601 /nfs/dbraw/zinc/20/56/01/762205601.db2.gz UPCOGCBXHADBRZ-RISCZKNCSA-N 1 0 323.372 1.620 20 5 DDBDRO Cc1ccnc(N([C@H]2CC[C@H](C[N+](=O)[O-])C2)C2CC[NH2+]CC2)n1 ZINC001169057824 762211266 /nfs/dbraw/zinc/21/12/66/762211266.db2.gz XTOCSADLPBQULL-ZFWWWQNUSA-N 1 0 319.409 1.789 20 5 DDBDRO CN(CCOCC[NH3+])C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000698738528 753986446 /nfs/dbraw/zinc/98/64/46/753986446.db2.gz UVBPTLGUFUWGGM-UHFFFAOYSA-N 1 0 301.730 1.296 20 5 DDBDRO O=C(NCC1CC[NH+](CC2CCCC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001001399258 754280465 /nfs/dbraw/zinc/28/04/65/754280465.db2.gz LENKTLANRUXPKR-HUUCEWRRSA-N 1 0 309.410 1.670 20 5 DDBDRO COC(=O)c1ncc([N+](=O)[O-])c(C)c1-n1ccc([C@H](C)[NH3+])n1 ZINC001169231905 762293355 /nfs/dbraw/zinc/29/33/55/762293355.db2.gz WBSZSRLMWCQGMC-QMMMGPOBSA-N 1 0 305.294 1.290 20 5 DDBDRO CCOC(=O)c1ccc(N[C@H](C)[C@H]2C[NH2+]CCO2)c([N+](=O)[O-])c1 ZINC001170569515 768183216 /nfs/dbraw/zinc/18/32/16/768183216.db2.gz JFTJYBKFDQGVKH-QMTHXVAHSA-N 1 0 323.349 1.560 20 5 DDBDRO COc1ccc(C[C@H](C)[NH2+]C[C@@H](C)CNC(C)=O)c([N+](=O)[O-])c1 ZINC001170316921 766247119 /nfs/dbraw/zinc/24/71/19/766247119.db2.gz AAOWNGLAJUWSFS-NEPJUHHUSA-N 1 0 323.393 1.896 20 5 DDBDRO Cc1conc1C(=O)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001170317623 766248383 /nfs/dbraw/zinc/24/83/83/766248383.db2.gz HWPAPAJCLOOPPV-UHFFFAOYSA-N 1 0 318.333 1.801 20 5 DDBDRO COc1ccc(C[C@@H](C)[NH2+]C[C@H]2CCCC(=O)N2)c([N+](=O)[O-])c1 ZINC001170327725 766254056 /nfs/dbraw/zinc/25/40/56/766254056.db2.gz HGTJJPFYJNKVEK-DGCLKSJQSA-N 1 0 321.377 1.793 20 5 DDBDRO COc1ccc(C[C@H](C)[N@@H+]2CCOC[C@@](C)(O)C2)c([N+](=O)[O-])c1 ZINC001170335724 766257838 /nfs/dbraw/zinc/25/78/38/766257838.db2.gz QPIBKPMOHIEPAV-LRDDRELGSA-N 1 0 324.377 1.618 20 5 DDBDRO O=C(CNc1cc2c(cc1[N+](=O)[O-])C[NH2+]C2)NCc1ccco1 ZINC001170382683 766291397 /nfs/dbraw/zinc/29/13/97/766291397.db2.gz JVSKVLOASRVQSQ-UHFFFAOYSA-N 1 0 316.317 1.519 20 5 DDBDRO CN(CC[NH3+])CCNc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC001170502911 767616023 /nfs/dbraw/zinc/61/60/23/767616023.db2.gz UGJWNCUKVWDOCC-UHFFFAOYSA-N 1 0 307.276 1.311 20 5 DDBDRO CC(C)[N@@H+]1CCN(c2cc([N+](=O)[O-])cc(Cl)[n+]2[O-])C[C@@H]1C ZINC001158495602 768462819 /nfs/dbraw/zinc/46/28/19/768462819.db2.gz ZNVHDCJYRWKCSF-JTQLQIEISA-N 1 0 314.773 1.801 20 5 DDBDRO Cc1ncccc1C(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001133102988 769499661 /nfs/dbraw/zinc/49/96/61/769499661.db2.gz IPRCLXINRYOVQV-UHFFFAOYSA-N 1 0 320.374 1.879 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)c(F)cnc2N[C@H]1C[NH2+]C[C@@H]1CO ZINC001170773934 771192767 /nfs/dbraw/zinc/19/27/67/771192767.db2.gz KLRLASHWDSWOME-OQPBUACISA-N 1 0 306.297 1.274 20 5 DDBDRO O=[N+]([O-])c1cc(N[C@@H]2C[NH2+]C[C@@H]2CO)cc(C(F)(F)F)c1 ZINC001170783326 771270944 /nfs/dbraw/zinc/27/09/44/771270944.db2.gz XNPKXJLCYWTCCY-RDDDGLTNSA-N 1 0 305.256 1.606 20 5 DDBDRO [NH3+]CCOCCOCCNc1cc(Cl)cc([N+](=O)[O-])n1 ZINC001159445416 771419862 /nfs/dbraw/zinc/41/98/62/771419862.db2.gz ZUPOKOOWYQRKCO-UHFFFAOYSA-N 1 0 304.734 1.047 20 5 DDBDRO O=[N+]([O-])c1cc[n+]([O-])c(N[C@H]2CC[NH2+]C[C@@H]2C(F)(F)F)c1 ZINC001160739665 772687138 /nfs/dbraw/zinc/68/71/38/772687138.db2.gz XPCCMULLYCNVJL-IUCAKERBSA-N 1 0 306.244 1.181 20 5 DDBDRO CC[N@H+](C)CCC(=O)NCCNc1nc(C)ccc1[N+](=O)[O-] ZINC001093840269 775123459 /nfs/dbraw/zinc/12/34/59/775123459.db2.gz FCVALBYOXJMPDV-UHFFFAOYSA-N 1 0 309.370 1.168 20 5 DDBDRO O=C1CC[C@H]([NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C(=O)N1 ZINC001172900355 776914931 /nfs/dbraw/zinc/91/49/31/776914931.db2.gz SOAAQHCHRDQCHO-OCCSQVGLSA-N 1 0 317.345 1.237 20 5 DDBDRO CC(=O)NC1C[NH+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172916512 776929971 /nfs/dbraw/zinc/92/99/71/776929971.db2.gz SSEISSRFRWYKOP-HNNXBMFYSA-N 1 0 303.362 1.663 20 5 DDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCC(=O)N1CCOCC1 ZINC001173211163 777067028 /nfs/dbraw/zinc/06/70/28/777067028.db2.gz QISGDWLULNHNIA-CYBMUJFWSA-N 1 0 321.377 1.364 20 5 DDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N(CC[NH3+])c1ncccn1 ZINC001173212515 777067428 /nfs/dbraw/zinc/06/74/28/777067428.db2.gz ALNAXARDYSGNKG-LBPRGKRZSA-N 1 0 301.350 1.781 20 5 DDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCCc1c[nH][nH]c1=O ZINC001173214234 777068509 /nfs/dbraw/zinc/06/85/09/777068509.db2.gz NRJILVNRLSXEAK-WCQYABFASA-N 1 0 304.350 1.627 20 5 DDBDRO CN(CCNc1ccc([N+](=O)[O-])cc1F)C(=O)C[NH+]1CCCC1 ZINC001101633320 777328894 /nfs/dbraw/zinc/32/88/94/777328894.db2.gz LIZYEOJQWKBYLO-UHFFFAOYSA-N 1 0 324.356 1.700 20 5 DDBDRO O=[N+]([O-])c1cccc(C[N@@H+]2C[C@@]3(CO)CCCC[C@@]3(CO)C2)c1 ZINC001176760729 778246071 /nfs/dbraw/zinc/24/60/71/778246071.db2.gz FFXNBPBKSFXSSA-CALCHBBNSA-N 1 0 320.389 1.942 20 5 DDBDRO Cc1nn(C)c(C(=O)N[C@@H]2CCCC[C@H]2[NH+](C)C)c1[N+](=O)[O-] ZINC001116031329 780468445 /nfs/dbraw/zinc/46/84/45/780468445.db2.gz DZUSQMBDGXKDRN-GHMZBOCLSA-N 1 0 309.370 1.239 20 5 DDBDRO Cc1c[nH]nc1C(=O)NCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001266273514 836025129 /nfs/dbraw/zinc/02/51/29/836025129.db2.gz VHHJLQNBHSODLF-UHFFFAOYSA-N 1 0 317.349 1.488 20 5 DDBDRO CC[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1cccc(F)c1 ZINC001266390591 836197343 /nfs/dbraw/zinc/19/73/43/836197343.db2.gz DCYLDXNLQOHAMG-ZIAGYGMSSA-N 1 0 309.341 1.429 20 5 DDBDRO Cc1cc(C)cc(C[N@@H+](C)CCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC001272014198 844321294 /nfs/dbraw/zinc/32/12/94/844321294.db2.gz YAFHQBLQOMAMLV-HZPDHXFCSA-N 1 0 319.405 1.859 20 5 DDBDRO COCC(=O)NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CCC1 ZINC001326773423 861604448 /nfs/dbraw/zinc/60/44/48/861604448.db2.gz BJBHMDFMDBFGKA-UHFFFAOYSA-N 1 0 307.350 1.370 20 5 DDBDRO Cc1cccc(C[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCC2)c1 ZINC001326821983 861631961 /nfs/dbraw/zinc/63/19/61/861631961.db2.gz JXRGUBLKGXLKKC-HUUCEWRRSA-N 1 0 317.389 1.789 20 5 DDBDRO C[NH2+][C@H](C)CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC001326832674 861642118 /nfs/dbraw/zinc/64/21/18/861642118.db2.gz MYIAEXBDRQHPPM-SECBINFHSA-N 1 0 309.322 1.094 20 5 DDBDRO O=[N+]([O-])c1ccc2ncnc(N[C@@H]3COCCC34C[NH2+]C4)c2c1 ZINC001155460865 862111416 /nfs/dbraw/zinc/11/14/16/862111416.db2.gz CLHCWSXXPNJYFZ-CYBMUJFWSA-N 1 0 315.333 1.328 20 5 DDBDRO Cc1cc(Cl)nc(NC[C@]23C[NH2+]C[C@H]2COC3)c1[N+](=O)[O-] ZINC001155517140 862183114 /nfs/dbraw/zinc/18/31/14/862183114.db2.gz RTOWJUMUCJNRIW-ZANVPECISA-N 1 0 312.757 1.600 20 5 DDBDRO O=[N+]([O-])c1cnc(Cl)nc1N[C@@H]1CCO[C@@]2(CC[NH2+]C2)C1 ZINC001155619267 862298179 /nfs/dbraw/zinc/29/81/79/862298179.db2.gz OVENNTQZYBKECM-PELKAZGASA-N 1 0 313.745 1.361 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])c(N[C@H]2CCO[C@@]3(CC[NH2+]C3)C2)n1 ZINC001155623640 862308609 /nfs/dbraw/zinc/30/86/09/862308609.db2.gz UGAWNJKPNUCEDZ-WFASDCNBSA-N 1 0 306.366 1.930 20 5 DDBDRO O=[N+]([O-])c1cnc(Cl)cc1N(c1ncccn1)C1C[NH2+]C1 ZINC001155869515 862523023 /nfs/dbraw/zinc/52/30/23/862523023.db2.gz GUHCAJCIUHOHNG-UHFFFAOYSA-N 1 0 306.713 1.543 20 5 DDBDRO Cc1ccc(N(C)CCCNC(=O)CC[NH+](C)C)c([N+](=O)[O-])c1 ZINC001095732081 855177416 /nfs/dbraw/zinc/17/74/16/855177416.db2.gz KNELEMGGWTTXCG-UHFFFAOYSA-N 1 0 322.409 1.797 20 5 DDBDRO COc1nc(N2CC[NH2+]C[C@@H]2c2cccs2)ncc1[N+](=O)[O-] ZINC001156089490 862714057 /nfs/dbraw/zinc/71/40/57/862714057.db2.gz NJHQFLZBJLGELQ-SECBINFHSA-N 1 0 321.362 1.606 20 5 DDBDRO C[NH+](C)C[C@@]12C[C@@H]1CN(c1cc([N+](=O)[O-])c3cc[nH]c3n1)C2 ZINC001156396111 863008139 /nfs/dbraw/zinc/00/81/39/863008139.db2.gz SREFZMSGPQDWFQ-MEBBXXQBSA-N 1 0 301.350 1.859 20 5 DDBDRO Cc1ccc(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)cn1 ZINC001123623098 859329589 /nfs/dbraw/zinc/32/95/89/859329589.db2.gz PRGVHICJVMKYOU-UHFFFAOYSA-N 1 0 314.345 1.818 20 5 DDBDRO Cc1cc(C(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)[nH]n1 ZINC001124228434 859640796 /nfs/dbraw/zinc/64/07/96/859640796.db2.gz DKVMFBCTEQGCEV-UHFFFAOYSA-N 1 0 309.351 1.207 20 5 DDBDRO C[N+](C)(C)CCCO[C@H]1CCCN(C(=O)c2cccnc2F)C1 ZINC001224620737 881474189 /nfs/dbraw/zinc/47/41/89/881474189.db2.gz CKYIZVFMRNYXBW-AWEZNQCLSA-N 1 0 324.420 1.938 20 5 DDBDRO C[N@@H+]1[C@@H]2C[C@H](OCCOc3ccc([N+](=O)[O-])cc3)[C@H]1CC(=O)C2 ZINC001224777297 881528933 /nfs/dbraw/zinc/52/89/33/881528933.db2.gz RGBKRGZQSWYYDY-MAZHCROVSA-N 1 0 320.345 1.794 20 5 DDBDRO C[NH+](C)[C@@H]1CCCC[C@@H]1Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC001325950961 860985290 /nfs/dbraw/zinc/98/52/90/860985290.db2.gz FVGBWBDFCZXBSC-WDEREUQCSA-N 1 0 307.354 1.373 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@H]([N@H+](C)C(C)C)C1 ZINC001157002496 863511708 /nfs/dbraw/zinc/51/17/08/863511708.db2.gz ZMWPYRXBUPYQRY-NSHDSACASA-N 1 0 322.365 1.695 20 5 DDBDRO CC(C)N(CC(=O)N1CC[NH2+]CC1)Cc1ccc([N+](=O)[O-])cc1 ZINC001329489999 863694302 /nfs/dbraw/zinc/69/43/02/863694302.db2.gz BNJCHAVHDRUICK-UHFFFAOYSA-N 1 0 320.393 1.237 20 5 DDBDRO CCc1ccccc1CC[NH2+]CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157767856 864117815 /nfs/dbraw/zinc/11/78/15/864117815.db2.gz YCPFGHAQSTVFLI-HZPDHXFCSA-N 1 0 319.405 1.553 20 5 DDBDRO Cc1ncn(-c2ccc([N+](=O)[O-])c(C)n2)c1CSCC[NH3+] ZINC001157961757 864308460 /nfs/dbraw/zinc/30/84/60/864308460.db2.gz LUIAJMJFWWWZGB-UHFFFAOYSA-N 1 0 307.379 1.984 20 5 DDBDRO COc1cnc(-n2cnc(C)c2CSCC[NH3+])c([N+](=O)[O-])c1 ZINC001157961432 864309413 /nfs/dbraw/zinc/30/94/13/864309413.db2.gz FIJVBYOPYTXXRI-UHFFFAOYSA-N 1 0 323.378 1.684 20 5 DDBDRO CO[C@H]1C[NH2+][C@@](C)(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001330609051 864484110 /nfs/dbraw/zinc/48/41/10/864484110.db2.gz DCARFFCFMRCGOZ-GDBMZVCRSA-N 1 0 319.361 1.247 20 5 DDBDRO Cc1cnc(N2CCC(N3CC[C@H]([NH3+])C3)CC2)c([N+](=O)[O-])c1 ZINC001158258862 864521436 /nfs/dbraw/zinc/52/14/36/864521436.db2.gz KKJJCAJXAASZMK-LBPRGKRZSA-N 1 0 305.382 1.300 20 5 DDBDRO COc1nc(C)c([N+](=O)[O-])c(-n2ncc3c2cccc3C[NH3+])n1 ZINC001158311440 864569256 /nfs/dbraw/zinc/56/92/56/864569256.db2.gz SBDPGMXIRQESEN-UHFFFAOYSA-N 1 0 314.305 1.499 20 5 DDBDRO COC(=O)[C@]12CC[NH2+][C@@H]1CN(c1nccc(C)c1[N+](=O)[O-])CC2 ZINC001158640652 864779610 /nfs/dbraw/zinc/77/96/10/864779610.db2.gz YDCHBVREPZTAGK-ABAIWWIYSA-N 1 0 320.349 1.030 20 5 DDBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CCCc2ccc(C[NH3+])nc21 ZINC001158652656 864788600 /nfs/dbraw/zinc/78/86/00/864788600.db2.gz SORJXHVDRNTNPA-UHFFFAOYSA-N 1 0 315.333 1.475 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(N[C@@H](C)[C@H]2C[NH2+]CCO2)nc1Cl ZINC001159496598 865348354 /nfs/dbraw/zinc/34/83/54/865348354.db2.gz KKLHVMGPTABAKA-WCBMZHEXSA-N 1 0 300.746 1.740 20 5 DDBDRO O=[N+]([O-])c1cc(N[C@@H]2C[NH2+]C[C@H]2CO)c2ncnc(Cl)c2c1 ZINC001159681293 865468214 /nfs/dbraw/zinc/46/82/14/865468214.db2.gz CAEMOBJTGVLJKY-WRWORJQWSA-N 1 0 323.740 1.184 20 5 DDBDRO O=C([C@H]1CC12CC[NH2+]CC2)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001332141190 865610097 /nfs/dbraw/zinc/61/00/97/865610097.db2.gz CLVRVLNRXZBTQR-CQSZACIVSA-N 1 0 301.346 1.827 20 5 DDBDRO Cc1nc(N2c3ccccc3OC[C@@H]2C[NH3+])ncc1[N+](=O)[O-] ZINC001160206418 865728911 /nfs/dbraw/zinc/72/89/11/865728911.db2.gz MQPAYXPEYXZFPI-JTQLQIEISA-N 1 0 301.306 1.551 20 5 DDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC001320210971 866562015 /nfs/dbraw/zinc/56/20/15/866562015.db2.gz WWLHMSBHVZUTGI-NSHDSACASA-N 1 0 306.366 1.660 20 5 DDBDRO O=C(NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1)c1cc[nH]c1 ZINC001277066303 881988999 /nfs/dbraw/zinc/98/89/99/881988999.db2.gz RNLPUQXQNLQDIQ-UHFFFAOYSA-N 1 0 314.345 1.975 20 5 DDBDRO C[C@H](C(=O)Nc1nc(-c2ccc([N+](=O)[O-])cc2)c[nH]1)[NH+](C)C ZINC001161573507 866779041 /nfs/dbraw/zinc/77/90/41/866779041.db2.gz PHCHLJCIROJNQZ-SECBINFHSA-N 1 0 303.322 1.874 20 5 DDBDRO COc1cc([N+](=O)[O-])cnc1NCCCN1CC[NH+](C)CC1 ZINC001161700661 866907303 /nfs/dbraw/zinc/90/73/03/866907303.db2.gz OSABFDMNAMKZCG-UHFFFAOYSA-N 1 0 309.370 1.048 20 5 DDBDRO [NH3+]C1CCN(CCNc2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC001161870420 867053426 /nfs/dbraw/zinc/05/34/26/867053426.db2.gz INQYWTORVWQIAU-UHFFFAOYSA-N 1 0 315.377 1.978 20 5 DDBDRO [NH3+]Cc1nc2cnccc2n1-c1nc(Cl)ncc1[N+](=O)[O-] ZINC001162214527 867344655 /nfs/dbraw/zinc/34/46/55/867344655.db2.gz JEGIFETWPLBUPC-UHFFFAOYSA-N 1 0 305.685 1.231 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[NH+](C(C)(C)C)CC1 ZINC001334242546 867418153 /nfs/dbraw/zinc/41/81/53/867418153.db2.gz YONBQJJKFGPPEX-UHFFFAOYSA-N 1 0 309.370 1.042 20 5 DDBDRO COC(=O)c1ncc([N+](=O)[O-])cc1NC[C@H]1CCC[NH2+]C[C@H]1C ZINC001162470793 867558305 /nfs/dbraw/zinc/55/83/05/867558305.db2.gz MMAXTAUMOKZADC-GHMZBOCLSA-N 1 0 322.365 1.824 20 5 DDBDRO Nc1cc(Nc2ccc([C@H](C[NH3+])CO)cc2)ncc1[N+](=O)[O-] ZINC001163052376 868039273 /nfs/dbraw/zinc/03/92/73/868039273.db2.gz HRGGNZUALVYHFH-SNVBAGLBSA-N 1 0 303.322 1.350 20 5 DDBDRO O=[N+]([O-])c1cccc2c1ccnc2N[C@H]1COCCC12C[NH2+]C2 ZINC001163065634 868051200 /nfs/dbraw/zinc/05/12/00/868051200.db2.gz OHNDYUXWOHDVQK-AWEZNQCLSA-N 1 0 314.345 1.933 20 5 DDBDRO COc1nc(C)c(N[C@@H]2COCCC23C[NH2+]C3)cc1[N+](=O)[O-] ZINC001163072408 868055461 /nfs/dbraw/zinc/05/54/61/868055461.db2.gz ITNQRASPKWYCCR-GFCCVEGCSA-N 1 0 308.338 1.097 20 5 DDBDRO O=C1C[C@H]2[NH2+]CC[C@]2(Nc2cc([N+](=O)[O-])cc3cc[nH]c32)N1 ZINC001163253119 868260458 /nfs/dbraw/zinc/26/04/58/868260458.db2.gz YCCWKZRSLGZJRU-RISCZKNCSA-N 1 0 301.306 1.066 20 5 DDBDRO O=[N+]([O-])c1cncc(Cl)c1N[C@@H]1CCO[C@]2(CC[NH2+]C2)C1 ZINC001163322275 868349808 /nfs/dbraw/zinc/34/98/08/868349808.db2.gz HKDUWSXVBSFTLG-NOZJJQNGSA-N 1 0 312.757 1.388 20 5 DDBDRO C[C@H](C(=O)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1)[NH+](C)C ZINC001335975576 868653381 /nfs/dbraw/zinc/65/33/81/868653381.db2.gz WIWFUDJBPSWUKD-CYBMUJFWSA-N 1 0 320.393 1.189 20 5 DDBDRO C[C@@H]1CC[C@H](C[NH3+])N(c2c([N+](=O)[O-])cc[n+]([O-])c2Cl)C1 ZINC001164071442 868924237 /nfs/dbraw/zinc/92/42/37/868924237.db2.gz STXAYSSQBBCUFP-RKDXNWHRSA-N 1 0 300.746 1.445 20 5 DDBDRO C[NH+](C)CCOc1cc(NC[C@@H]2CCC(=O)N2)ccc1[N+](=O)[O-] ZINC001164170449 868989235 /nfs/dbraw/zinc/98/92/35/868989235.db2.gz DOKLKERKKFYKPV-LBPRGKRZSA-N 1 0 322.365 1.226 20 5 DDBDRO [NH3+][C@@H]1CN(C(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)C[C@H]1F ZINC001165121789 869391505 /nfs/dbraw/zinc/39/15/05/869391505.db2.gz WPQZCQVIZJRBQQ-RNFRBKRXSA-N 1 0 310.663 1.674 20 5 DDBDRO O=[N+]([O-])c1ccc2ccc(N3CC[C@@H]4[NH2+]CCO[C@H]4C3)nc2c1 ZINC001165270042 869482667 /nfs/dbraw/zinc/48/26/67/869482667.db2.gz VKRHNWPIZDNCHY-ZFWWWQNUSA-N 1 0 314.345 1.710 20 5 DDBDRO O=[N+]([O-])c1c(Cl)nc(Cl)nc1N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001165296370 869503723 /nfs/dbraw/zinc/50/37/23/869503723.db2.gz GCALOEXQWPEEIO-NTSWFWBYSA-N 1 0 304.137 1.632 20 5 DDBDRO CCOc1nc(N2C[C@H](C3([NH3+])CC3)[C@H](CF)C2)ccc1[N+](=O)[O-] ZINC001165435385 869599265 /nfs/dbraw/zinc/59/92/65/869599265.db2.gz VEUORQGFJPSLOX-MNOVXSKESA-N 1 0 324.356 1.902 20 5 DDBDRO Cc1nocc1C(=O)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001165676580 869676633 /nfs/dbraw/zinc/67/66/33/869676633.db2.gz DGANYZABLSZUNU-UHFFFAOYSA-N 1 0 318.333 1.801 20 5 DDBDRO COc1cc([N+](=O)[O-])cnc1N[C@H](C)[C@H]1C[N@H+](C)CCN1C ZINC001338083765 869790994 /nfs/dbraw/zinc/79/09/94/869790994.db2.gz JKWFCLSDLNHXRD-ZYHUDNBSSA-N 1 0 309.370 1.045 20 5 DDBDRO C[N@@H+]1C[C@@H]2CC[C@@H](Nc3ccc4nonc4c3[N+](=O)[O-])[C@H]2C1 ZINC001338298786 869909618 /nfs/dbraw/zinc/90/96/18/869909618.db2.gz WFESJUUPYXEGOR-LPEHRKFASA-N 1 0 303.322 1.883 20 5 DDBDRO O=[N+]([O-])c1cnc(N2CCc3ccsc3C2)nc1C1C[NH2+]C1 ZINC001166684344 870152294 /nfs/dbraw/zinc/15/22/94/870152294.db2.gz XAWYUEKEMVAPQK-UHFFFAOYSA-N 1 0 317.374 1.696 20 5 DDBDRO COC(=O)c1cc(OC)c(O[C@H]2CC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC001226362590 882387206 /nfs/dbraw/zinc/38/72/06/882387206.db2.gz XEMWQGCIJCGKMU-JTQLQIEISA-N 1 0 310.306 1.473 20 5 DDBDRO C[C@H](C(=O)N[C@H]1C[NH+]2CCC1CC2)c1cccc([N+](=O)[O-])c1 ZINC001339140827 870364680 /nfs/dbraw/zinc/36/46/80/870364680.db2.gz JNWPYWBKMZJOIZ-NHYWBVRUSA-N 1 0 303.362 1.909 20 5 DDBDRO CCn1c([C@H](C)[N+](=O)[O-])nnc1N1CC[NH+](CC2CC2)CC1 ZINC001339466121 870511799 /nfs/dbraw/zinc/51/17/99/870511799.db2.gz FIDNSPFTSRWDQV-NSHDSACASA-N 1 0 308.386 1.168 20 5 DDBDRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@H](C)[N+](=O)[O-])n2CC)C1 ZINC001339468486 870511839 /nfs/dbraw/zinc/51/18/39/870511839.db2.gz VPCCTRLFFYPMPB-STQMWFEESA-N 1 0 324.429 1.804 20 5 DDBDRO Cc1cccc(C(=O)N2CC([NH2+][C@@H]3CCOC3)C2)c1[N+](=O)[O-] ZINC001304084130 871185435 /nfs/dbraw/zinc/18/54/35/871185435.db2.gz MEYGQWTXXDBCHN-LLVKDONJSA-N 1 0 305.334 1.106 20 5 DDBDRO NC(=O)c1cc(NC[C@@H]2C[NH+]3CCC2CC3)ccc1[N+](=O)[O-] ZINC001307230419 871413094 /nfs/dbraw/zinc/41/30/94/871413094.db2.gz QQLOOXDPEXPITM-LLVKDONJSA-N 1 0 304.350 1.447 20 5 DDBDRO C[C@@H]1C[C@H]([NH2+][C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC001308513701 871507460 /nfs/dbraw/zinc/50/74/60/871507460.db2.gz RDYKBRNNCFAFSX-JOCHCUSFSA-N 1 0 324.377 1.535 20 5 DDBDRO C[C@H]1CN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])CC[C@H]1C[NH3+] ZINC001341251093 871578096 /nfs/dbraw/zinc/57/80/96/871578096.db2.gz QRBQUGSKLFTJFA-STQMWFEESA-N 1 0 320.393 1.474 20 5 DDBDRO CNC(=O)c1ccc(N2CC[NH+](C(C)(C)C)CC2)c([N+](=O)[O-])c1 ZINC001318026909 871699965 /nfs/dbraw/zinc/69/99/65/871699965.db2.gz JOORDHMYKDGGEN-UHFFFAOYSA-N 1 0 320.393 1.875 20 5 DDBDRO O=C(N[C@@H]1CCC[NH2+]CC1)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001341766300 871814195 /nfs/dbraw/zinc/81/41/95/871814195.db2.gz NLGWQZGGZKIBGT-SNPRPXQTSA-N 1 0 303.362 1.957 20 5 DDBDRO CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001341974056 871925613 /nfs/dbraw/zinc/92/56/13/871925613.db2.gz JAIKNPWQTCNBNV-RQJABVFESA-N 1 0 303.362 1.940 20 5 DDBDRO C[NH2+]CCOCCNC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001342303895 872137637 /nfs/dbraw/zinc/13/76/37/872137637.db2.gz XUWUOLOICBIKKK-KGLIPLIRSA-N 1 0 307.350 1.051 20 5 DDBDRO C[C@@H]1CN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC[C@H]1C[NH3+] ZINC001342650099 872315069 /nfs/dbraw/zinc/31/50/69/872315069.db2.gz XWMRLFUOXMLRGY-NEPJUHHUSA-N 1 0 307.350 1.417 20 5 DDBDRO O=C(Cc1ccccc1[N+](=O)[O-])NC1(C2CC[NH2+]CC2)CC1 ZINC001343040595 872479550 /nfs/dbraw/zinc/47/95/50/872479550.db2.gz MVXDDZYNLKWYHR-UHFFFAOYSA-N 1 0 303.362 1.786 20 5 DDBDRO COc1cccc(C(=O)NC[C@@H]2CCC[NH2+]CC2)c1[N+](=O)[O-] ZINC001343714604 872729906 /nfs/dbraw/zinc/72/99/06/872729906.db2.gz OUXXYZSIYYHISI-LLVKDONJSA-N 1 0 307.350 1.723 20 5 DDBDRO CC(C)Cn1c(C[N+](=O)[O-])nnc1N1CC[NH+](CC2CC2)CC1 ZINC001344466438 873011879 /nfs/dbraw/zinc/01/18/79/873011879.db2.gz JXDHCNFRYOCKFR-UHFFFAOYSA-N 1 0 322.413 1.243 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)[NH2+]C[C@H]2CCC=CO2)cc1 ZINC001207475300 873313822 /nfs/dbraw/zinc/31/38/22/873313822.db2.gz OFXIEPAMZDFZHQ-RBSFLKMASA-N 1 0 308.334 1.271 20 5 DDBDRO CC(C)[C@H](CO)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC001207861706 873619546 /nfs/dbraw/zinc/61/95/46/873619546.db2.gz FTXALTDTCVHPQL-AWEZNQCLSA-N 1 0 308.382 1.565 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[NH2+]CC1 ZINC001346440584 873755685 /nfs/dbraw/zinc/75/56/85/873755685.db2.gz GEEZGHKQNYAOAH-NSHDSACASA-N 1 0 307.350 1.723 20 5 DDBDRO CC[NH+]1CCN(c2nnc([C@@H](C)[N+](=O)[O-])n2CC2CC2)CC1 ZINC001346938175 873943827 /nfs/dbraw/zinc/94/38/27/873943827.db2.gz RVOLGYAGIHPIEV-LLVKDONJSA-N 1 0 308.386 1.168 20 5 DDBDRO Cc1cncc([N+](=O)[O-])c1N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC001347267431 874078682 /nfs/dbraw/zinc/07/86/82/874078682.db2.gz BCIJFOHTMSXORT-CYBMUJFWSA-N 1 0 306.366 1.334 20 5 DDBDRO Cc1cc(NC(=O)c2ccnn2CC[NH+](C)C)cc([N+](=O)[O-])c1 ZINC001347656812 874232365 /nfs/dbraw/zinc/23/23/65/874232365.db2.gz BEJGUMNFYHBNBO-UHFFFAOYSA-N 1 0 317.349 1.914 20 5 DDBDRO C[C@@H](Nc1ccc([N+](=O)[O-])c(N)c1F)[C@@H]1C[N@H+](C)CCN1C ZINC001348311190 874475845 /nfs/dbraw/zinc/47/58/45/874475845.db2.gz GOTGLUQOPDFAET-SKDRFNHKSA-N 1 0 311.361 1.362 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1O[C@@H]1C[C@@H]2CC(=O)C[C@H]1N2C ZINC001227185375 882899242 /nfs/dbraw/zinc/89/92/42/882899242.db2.gz QFCZEDBYTUAWBQ-ZKYQVNSYSA-N 1 0 306.318 1.786 20 5 DDBDRO [NH3+][C@H](Cc1nnc([C@H]2CCOC2)o1)c1cccc([N+](=O)[O-])c1 ZINC001217734640 877294824 /nfs/dbraw/zinc/29/48/24/877294824.db2.gz YKYPNHBNWPXLCW-CMPLNLGQSA-N 1 0 304.306 1.724 20 5 DDBDRO O=C(CCc1cc(F)ccc1[N+](=O)[O-])N[C@@H]1CCC[NH2+]CC1 ZINC001357453435 879975362 /nfs/dbraw/zinc/97/53/62/879975362.db2.gz NUMYSZKBRPZOIT-CYBMUJFWSA-N 1 0 309.341 1.925 20 5 DDBDRO COC(=O)c1cc(CO[C@H]2C[NH+]3CCC2CC3)cc([N+](=O)[O-])c1 ZINC001223688559 881057332 /nfs/dbraw/zinc/05/73/32/881057332.db2.gz OPUGEISRGQELET-HNNXBMFYSA-N 1 0 320.345 1.992 20 5 DDBDRO COc1cc2c(cc1OC(=O)C[C@@H](O)C[N+](C)(C)C)C=NCC2 ZINC001228087216 883328393 /nfs/dbraw/zinc/32/83/93/883328393.db2.gz FRABIDBOEQBZCT-CQSZACIVSA-N 1 0 321.397 1.033 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc2cccc(F)c2n1 ZINC001228745844 883649346 /nfs/dbraw/zinc/64/93/46/883649346.db2.gz KYPOJAMWGIGUHY-GFCCVEGCSA-N 1 0 307.345 1.737 20 5 DDBDRO CCOCCC[N@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001277397712 884039439 /nfs/dbraw/zinc/03/94/39/884039439.db2.gz UBLKHLYSRCJJGO-ZIAGYGMSSA-N 1 0 313.398 1.001 20 5 DDBDRO [NH3+]C[C@H]1CN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCC1(F)F ZINC001246556731 892695347 /nfs/dbraw/zinc/69/53/47/892695347.db2.gz FXGISZZZJXYNPZ-JSGCOSHPSA-N 1 0 311.332 1.978 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC(N3C[C@H]4C[NH2+]C[C@H]43)CC2)cc1 ZINC001246922198 892988631 /nfs/dbraw/zinc/98/86/31/892988631.db2.gz UTQRHQJNZPOJKC-MLGOLLRUSA-N 1 0 302.378 1.467 20 5 DDBDRO C[NH+]1CCC(c2cn(-c3ccc(O)cc3[N+](=O)[O-])nn2)CC1 ZINC001254167118 896283136 /nfs/dbraw/zinc/28/31/36/896283136.db2.gz FNVZUYFWKCBCLQ-UHFFFAOYSA-N 1 0 303.322 1.690 20 5 DDBDRO CC1(CO)C[NH+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254474092 896455570 /nfs/dbraw/zinc/45/55/70/896455570.db2.gz LOPWACVBFIPFSU-UHFFFAOYSA-N 1 0 305.378 1.878 20 5 DDBDRO O=C1CC[N@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCN1 ZINC001254476102 896455726 /nfs/dbraw/zinc/45/57/26/896455726.db2.gz MBFKXALCJVTPEU-UHFFFAOYSA-N 1 0 318.377 1.386 20 5 DDBDRO COC(=O)[C@@H](CCCC[NH3+])N[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254537949 896494533 /nfs/dbraw/zinc/49/45/33/896494533.db2.gz KODIAHCDIQIDPL-GXTWGEPZSA-N 1 0 323.393 1.786 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]C1CN(c3cnccn3)C1)C2 ZINC001254578560 896511145 /nfs/dbraw/zinc/51/11/45/896511145.db2.gz MGNSTKHZYHFYAZ-ZDUSSCGKSA-N 1 0 311.345 1.330 20 5 DDBDRO CC(C)(C)[N@H+](C[C@@H](O)CO)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254592989 896520587 /nfs/dbraw/zinc/52/05/87/896520587.db2.gz IPXCIVTVGCXDFP-LSDHHAIUSA-N 1 0 308.378 1.516 20 5 DDBDRO CNC(=O)N[C@H]1CCC[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254612451 896533282 /nfs/dbraw/zinc/53/32/82/896533282.db2.gz WGZXYXXBOCDWBK-ZFWWWQNUSA-N 1 0 318.377 1.455 20 5 DDBDRO O=[N+]([O-])c1cc(Cl)c2ncnc(N[C@@H]3[C@H]4C[NH2+]C[C@H]43)c2c1 ZINC001261895664 899812093 /nfs/dbraw/zinc/81/20/93/899812093.db2.gz LJVHQDMJZBVXSE-JZYVYDRUSA-N 1 0 305.725 1.821 20 5 DDBDRO C[C@H](CNC(=O)NCC1CC[NH2+]CC1)c1ccccc1[N+](=O)[O-] ZINC001262583978 900262430 /nfs/dbraw/zinc/26/24/30/900262430.db2.gz NLEMABBSXXTWGX-GFCCVEGCSA-N 1 0 320.393 1.997 20 5 DDBDRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001263130091 900507676 /nfs/dbraw/zinc/50/76/76/900507676.db2.gz JXPOBDAODKKADX-QOWREQOWSA-N 1 0 303.362 1.955 20 5 DDBDRO O=C(NCC1([NH2+]CC2CC3(CCC3)C2)CCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001280480107 903723493 /nfs/dbraw/zinc/72/34/93/903723493.db2.gz BFAPHYBZQHKHPC-ZIAGYGMSSA-N 1 0 321.421 1.860 20 5 DDBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)CS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000081902068 192336583 /nfs/dbraw/zinc/33/65/83/192336583.db2.gz KNUZDDZCJKMIJF-GHMZBOCLSA-N 1 0 300.380 1.987 20 5 DDBDRO CS[C@H]1CN(C(=O)c2c(N)cccc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000330747784 295671187 /nfs/dbraw/zinc/67/11/87/295671187.db2.gz GMCYGFRXFPYEME-NEPJUHHUSA-N 1 0 324.406 1.295 20 5 DDBDRO C[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000305762766 231044077 /nfs/dbraw/zinc/04/40/77/231044077.db2.gz NDMHONBHJREZFC-SMDDNHRTSA-N 1 0 307.350 1.626 20 5 DDBDRO CO[C@@H]1C[C@@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C1(C)C ZINC000451511607 231114460 /nfs/dbraw/zinc/11/44/60/231114460.db2.gz WSFDJDANLDWEBA-NILFDRSVSA-N 1 0 324.377 1.738 20 5 DDBDRO CC[C@H]([NH3+])CNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000418080897 529449090 /nfs/dbraw/zinc/44/90/90/529449090.db2.gz DRVFWFNWRKCMBK-QMMMGPOBSA-N 1 0 306.326 1.008 20 5 DDBDRO C[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCC[C@@H](C)C1 ZINC000452073358 231291778 /nfs/dbraw/zinc/29/17/78/231291778.db2.gz VGQGXJVKFKXXBG-OSFYFWSMSA-N 1 0 310.398 1.957 20 5 DDBDRO C[N@@H+]1CCCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000096948722 185393597 /nfs/dbraw/zinc/39/35/97/185393597.db2.gz GQYVLZHLQOAHIV-UHFFFAOYSA-N 1 0 320.393 1.951 20 5 DDBDRO CC[C@H](C)[NH+]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000295896616 529700679 /nfs/dbraw/zinc/70/06/79/529700679.db2.gz CVPFDEXMNBMDAD-ZDUSSCGKSA-N 1 0 308.382 1.173 20 5 DDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000447247125 529730642 /nfs/dbraw/zinc/73/06/42/529730642.db2.gz IHLHYYHOZPMMFB-SKDRFNHKSA-N 1 0 313.379 1.125 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(CCC(=O)Nc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000451631425 529797854 /nfs/dbraw/zinc/79/78/54/529797854.db2.gz NORJZCRQSGPGAW-DOMZBBRYSA-N 1 0 318.377 1.559 20 5 DDBDRO CC[NH+](CC)[C@H](C)CNC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000269502473 282312567 /nfs/dbraw/zinc/31/25/67/282312567.db2.gz ZGGVFHKISNROLV-SNVBAGLBSA-N 1 0 311.386 1.901 20 5 DDBDRO CO[C@]1(C)C[C@H]([NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1(C)C ZINC000296290087 282368406 /nfs/dbraw/zinc/36/84/06/282368406.db2.gz PBBLIZJFFVNODM-XJKSGUPXSA-N 1 0 321.377 1.987 20 5 DDBDRO COC(=O)CC1([NH2+]Cc2csc([N+](=O)[O-])c2)CCOCC1 ZINC000152539934 186083193 /nfs/dbraw/zinc/08/31/93/186083193.db2.gz MYNZADAQJMHJBW-UHFFFAOYSA-N 1 0 314.363 1.858 20 5 DDBDRO O=[N+]([O-])c1c2cccnc2ccc1N1CCC[N@@H+](CCO)CC1 ZINC000171506799 186170332 /nfs/dbraw/zinc/17/03/32/186170332.db2.gz XNOHXTPDDCUBRT-UHFFFAOYSA-N 1 0 316.361 1.647 20 5 DDBDRO CC(C)(C(=O)N1CCC2(C1)CC[NH2+]CC2)n1cc([N+](=O)[O-])cn1 ZINC000358507763 299178486 /nfs/dbraw/zinc/17/84/86/299178486.db2.gz LGNKRLIKDPRFSQ-UHFFFAOYSA-N 1 0 321.381 1.129 20 5 DDBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000617407243 363090807 /nfs/dbraw/zinc/09/08/07/363090807.db2.gz OLBYEDWAWRMKTG-LLVKDONJSA-N 1 0 309.370 1.415 20 5 DDBDRO Cn1cc(CC[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)cn1 ZINC000331695996 234007788 /nfs/dbraw/zinc/00/77/88/234007788.db2.gz YXETWVJRKUWWKS-UHFFFAOYSA-N 1 0 304.354 1.404 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)n1 ZINC000331725253 234049187 /nfs/dbraw/zinc/04/91/87/234049187.db2.gz MPZRHBFUMSRBSC-GHMZBOCLSA-N 1 0 307.354 1.168 20 5 DDBDRO CC1CC[NH+](CCNC(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000046955683 352472595 /nfs/dbraw/zinc/47/25/95/352472595.db2.gz STHSANNMMFKNEG-UHFFFAOYSA-N 1 0 305.378 1.985 20 5 DDBDRO CC[NH+]1CCC(CNC(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000057000152 352794140 /nfs/dbraw/zinc/79/41/40/352794140.db2.gz DAAPKSJRFOSWPI-UHFFFAOYSA-N 1 0 321.377 1.822 20 5 DDBDRO C[N@H+](CCNC(=O)CCCNc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000058858038 352854687 /nfs/dbraw/zinc/85/46/87/352854687.db2.gz RQYIVULGSFWPMY-UHFFFAOYSA-N 1 0 320.393 1.997 20 5 DDBDRO C[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[N@H+](C)C1CC1 ZINC000069129502 353147706 /nfs/dbraw/zinc/14/77/06/353147706.db2.gz BJPWJCGPAOEENQ-SNVBAGLBSA-N 1 0 313.379 1.356 20 5 DDBDRO COC[C@](C)(O)C[NH2+]Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000069912461 353175998 /nfs/dbraw/zinc/17/59/98/353175998.db2.gz XQMVGVJGTCYNES-CQSZACIVSA-N 1 0 314.338 1.099 20 5 DDBDRO C[C@@H](CC[NH+](C)C)NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000073904423 353277272 /nfs/dbraw/zinc/27/72/72/353277272.db2.gz KAEFAQGECBGFNI-LBPRGKRZSA-N 1 0 308.382 1.777 20 5 DDBDRO CCNC(=O)CC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174242480 198310120 /nfs/dbraw/zinc/31/01/20/198310120.db2.gz NEHSBNSDQXUSNT-UHFFFAOYSA-N 1 0 321.377 1.964 20 5 DDBDRO C[NH+]1CCC(CNC(=O)NCCc2ccccc2[N+](=O)[O-])CC1 ZINC000074104916 353293028 /nfs/dbraw/zinc/29/30/28/353293028.db2.gz UBSRQZIKWABOHG-UHFFFAOYSA-N 1 0 320.393 1.778 20 5 DDBDRO C[N@H+](CCc1cccs1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075966662 353388852 /nfs/dbraw/zinc/38/88/52/353388852.db2.gz LMBVKDVVQYGIIC-LBPRGKRZSA-N 1 0 310.379 1.388 20 5 DDBDRO C[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C[C@@H](O)C1CC1 ZINC000079769977 353576257 /nfs/dbraw/zinc/57/62/57/353576257.db2.gz XACXQMJBAUGLGW-CQSZACIVSA-N 1 0 308.334 1.664 20 5 DDBDRO C[C@@H]1CCC[N@H+](CCNc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000079914610 353581797 /nfs/dbraw/zinc/58/17/97/353581797.db2.gz OXQIHQHUSVPXJH-LLVKDONJSA-N 1 0 306.366 1.838 20 5 DDBDRO Cc1cnc(NC2CC[NH+]([C@H]3CCOC3)CC2)c([N+](=O)[O-])c1 ZINC000089602811 353776411 /nfs/dbraw/zinc/77/64/11/353776411.db2.gz GDTMEEMXTOWAKG-ZDUSSCGKSA-N 1 0 306.366 1.963 20 5 DDBDRO C[C@@H](O)[C@H]1CCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000089930604 353783461 /nfs/dbraw/zinc/78/34/61/353783461.db2.gz XHYRNOWWRRLCJY-PWSUYJOCSA-N 1 0 307.350 1.287 20 5 DDBDRO CCN1CC[NH+](C[C@H](C)CNc2ncc([N+](=O)[O-])cc2C)CC1 ZINC000092612743 353863417 /nfs/dbraw/zinc/86/34/17/353863417.db2.gz LHWMIYAVXDYZCA-CYBMUJFWSA-N 1 0 321.425 1.984 20 5 DDBDRO CC[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000141294333 354139464 /nfs/dbraw/zinc/13/94/64/354139464.db2.gz MGMUEDQBEFICQX-UHFFFAOYSA-N 1 0 307.350 1.818 20 5 DDBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H]1CCCN1C ZINC000154562336 354207507 /nfs/dbraw/zinc/20/75/07/354207507.db2.gz ZQUFNEUZKREUNJ-SWLSCSKDSA-N 1 0 320.393 1.996 20 5 DDBDRO COc1cc(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000160961388 354241836 /nfs/dbraw/zinc/24/18/36/354241836.db2.gz JAVAQVYFLLLXKO-VHSXEESVSA-N 1 0 323.349 1.612 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000305356029 354469990 /nfs/dbraw/zinc/46/99/90/354469990.db2.gz XQCPFLCLCZDWQV-CQSZACIVSA-N 1 0 304.350 1.593 20 5 DDBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)C[C@@H](O)C1CC1 ZINC000305730644 354471282 /nfs/dbraw/zinc/47/12/82/354471282.db2.gz KIYQMCRENGQLKC-IINYFYTJSA-N 1 0 307.350 1.625 20 5 DDBDRO COc1ccc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1[N+](=O)[O-] ZINC000323918397 354542053 /nfs/dbraw/zinc/54/20/53/354542053.db2.gz UMJWQGNGGRLWNV-LRDDRELGSA-N 1 0 319.361 1.804 20 5 DDBDRO O=C(COC1C[NH2+]C1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000565038459 304038659 /nfs/dbraw/zinc/03/86/59/304038659.db2.gz NLWYNEPCXCVUGY-UHFFFAOYSA-N 1 0 305.334 1.074 20 5 DDBDRO CN(c1cc(N)c([N+](=O)[O-])c(CO)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000588073536 354899054 /nfs/dbraw/zinc/89/90/54/354899054.db2.gz IEBSXAWTLQCJKR-ONXXMXGDSA-N 1 0 320.393 1.731 20 5 DDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000588838643 354941104 /nfs/dbraw/zinc/94/11/04/354941104.db2.gz XHSOQWCGNKXCOZ-NWDGAFQWSA-N 1 0 309.370 1.029 20 5 DDBDRO CCCc1n[nH]c(C(=O)N2CC[C@@H]([NH+](C)C)[C@H]2C)c1[N+](=O)[O-] ZINC000590403326 355085690 /nfs/dbraw/zinc/08/56/90/355085690.db2.gz KSBNHEGZLQRNQW-MWLCHTKSSA-N 1 0 309.370 1.435 20 5 DDBDRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000590442836 355096820 /nfs/dbraw/zinc/09/68/20/355096820.db2.gz HLYSCOOTNPVXSX-FZMZJTMJSA-N 1 0 304.350 1.169 20 5 DDBDRO O=C1CC[C@H]([NH+]2CCN(c3ccsc3[N+](=O)[O-])CC2)CCN1 ZINC000590735546 355159342 /nfs/dbraw/zinc/15/93/42/355159342.db2.gz DFYOHQCEHRJJDY-NSHDSACASA-N 1 0 324.406 1.447 20 5 DDBDRO COc1cc(C[NH+]2CCC3(COC(=O)N3)CC2)ccc1[N+](=O)[O-] ZINC000495292893 235159397 /nfs/dbraw/zinc/15/93/97/235159397.db2.gz XJXKNVCIZKIPSE-UHFFFAOYSA-N 1 0 321.333 1.678 20 5 DDBDRO O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000590900052 355208719 /nfs/dbraw/zinc/20/87/19/355208719.db2.gz UDTAYHFUMDEARS-MNOVXSKESA-N 1 0 314.345 1.758 20 5 DDBDRO C[C@H](C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000590776498 355176322 /nfs/dbraw/zinc/17/63/22/355176322.db2.gz OWMSTCBPFPZDDC-CORIIIEPSA-N 1 0 303.362 1.861 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000590971659 355227444 /nfs/dbraw/zinc/22/74/44/355227444.db2.gz DHGZITCHKUVJBV-IPYPFGDCSA-N 1 0 322.361 1.445 20 5 DDBDRO CC(C)C[N@@H+]1CCO[C@H](CNc2ncc([N+](=O)[O-])cc2F)C1 ZINC000591136851 355253175 /nfs/dbraw/zinc/25/31/75/355253175.db2.gz MCVCAIJETWOSNT-GFCCVEGCSA-N 1 0 312.345 1.898 20 5 DDBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000591348268 355294370 /nfs/dbraw/zinc/29/43/70/355294370.db2.gz IWVYMWGASUTKET-JSGCOSHPSA-N 1 0 304.350 1.488 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000591439035 355311272 /nfs/dbraw/zinc/31/12/72/355311272.db2.gz QWIFWNMFCVRFID-DGCLKSJQSA-N 1 0 319.361 1.878 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000591448198 355313408 /nfs/dbraw/zinc/31/34/08/355313408.db2.gz HATGQEXCPGDHKU-STQMWFEESA-N 1 0 318.377 1.526 20 5 DDBDRO C[C@@H]1C[C@@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CS1 ZINC000591771014 355381593 /nfs/dbraw/zinc/38/15/93/355381593.db2.gz JPTFAXFPRJJYON-WZRBSPASSA-N 1 0 312.391 1.818 20 5 DDBDRO Cc1n[nH]c(C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1[N+](=O)[O-] ZINC000591893463 355414939 /nfs/dbraw/zinc/41/49/39/355414939.db2.gz YKEJWFKTCDVTSV-QWRGUYRKSA-N 1 0 307.354 1.231 20 5 DDBDRO COc1cc(CN2CC[C@H]3CC[NH2+][C@H]3C2)c([N+](=O)[O-])cc1OC ZINC000592432556 355581917 /nfs/dbraw/zinc/58/19/17/355581917.db2.gz QUQSBAWGMJDQHC-YPMHNXCESA-N 1 0 321.377 1.796 20 5 DDBDRO CC(C)(C(=O)Nc1cccc(C[NH3+])c1)n1cc([N+](=O)[O-])cn1 ZINC000592445797 355586122 /nfs/dbraw/zinc/58/61/22/355586122.db2.gz RFGPRNSPFKOPOZ-UHFFFAOYSA-N 1 0 303.322 1.624 20 5 DDBDRO COc1ccc(OCCN2CC[NH2+]CC2(C)C)c([N+](=O)[O-])c1 ZINC000592473826 355592649 /nfs/dbraw/zinc/59/26/49/355592649.db2.gz PXXCKFXPOFVDAM-UHFFFAOYSA-N 1 0 309.366 1.666 20 5 DDBDRO CC[C@H]1CN(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC[C@@H]1[NH3+] ZINC000592486173 355596191 /nfs/dbraw/zinc/59/61/91/355596191.db2.gz XJUZOVCVKJFZHV-JSGCOSHPSA-N 1 0 320.393 1.901 20 5 DDBDRO CC(C)[C@H]1CN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000592485172 355596433 /nfs/dbraw/zinc/59/64/33/355596433.db2.gz QAXJNXVVZPEURF-SWLSCSKDSA-N 1 0 320.393 1.852 20 5 DDBDRO C[C@H]([NH3+])[C@@H]1CCCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000592427568 355580585 /nfs/dbraw/zinc/58/05/85/355580585.db2.gz CGVIWRPZCDFZAN-NWDGAFQWSA-N 1 0 321.377 1.925 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[NH2+]C3(CCC3)C2)n1 ZINC000592567974 355632032 /nfs/dbraw/zinc/63/20/32/355632032.db2.gz HGLZYUKGPVBFTC-JTQLQIEISA-N 1 0 307.354 1.216 20 5 DDBDRO CCCN(C(=O)CCn1cc([N+](=O)[O-])nc1C)[C@H]1CC[N@H+](C)C1 ZINC000592831452 355706603 /nfs/dbraw/zinc/70/66/03/355706603.db2.gz MMQODIRDNHIOOR-ZDUSSCGKSA-N 1 0 323.397 1.433 20 5 DDBDRO CCCN(C(=O)COc1cccc([N+](=O)[O-])c1)[C@H]1CC[N@H+](C)C1 ZINC000592832130 355707160 /nfs/dbraw/zinc/70/71/60/355707160.db2.gz QUGPRRLZWWNPNH-AWEZNQCLSA-N 1 0 321.377 1.916 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H]2COCC2(C)C)c1 ZINC000593031003 355775222 /nfs/dbraw/zinc/77/52/22/355775222.db2.gz WDROIVPLCIGFAP-CYBMUJFWSA-N 1 0 308.334 1.896 20 5 DDBDRO Nc1c(C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000593911965 356056247 /nfs/dbraw/zinc/05/62/47/356056247.db2.gz KSZWILPWNCBNJK-BONVTDFDSA-N 1 0 304.350 1.378 20 5 DDBDRO [NH3+]CC1(CCNC(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000593914071 356057481 /nfs/dbraw/zinc/05/74/81/356057481.db2.gz GSCWXAVBSAAIPT-UHFFFAOYSA-N 1 0 306.366 1.642 20 5 DDBDRO [NH3+]Cc1ccc(CNC(=O)CCn2cc([N+](=O)[O-])cn2)c(F)c1 ZINC000593917625 356059577 /nfs/dbraw/zinc/05/95/77/356059577.db2.gz WVPFIQLRZXOTEG-UHFFFAOYSA-N 1 0 321.312 1.096 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000594452634 356222823 /nfs/dbraw/zinc/22/28/23/356222823.db2.gz QGQPQDQORPFTHN-JTQLQIEISA-N 1 0 305.256 1.831 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594417364 356203057 /nfs/dbraw/zinc/20/30/57/356203057.db2.gz BZDBOQOBFZCBPD-MNOVXSKESA-N 1 0 307.354 1.075 20 5 DDBDRO CC[N@H+](C)C[C@H](O)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000594569033 356251993 /nfs/dbraw/zinc/25/19/93/356251993.db2.gz XTUIJDHYFLKTKS-HNNXBMFYSA-N 1 0 304.350 1.771 20 5 DDBDRO CC(C)[C@H]([NH3+])CCN(C)C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000236826721 202027791 /nfs/dbraw/zinc/02/77/91/202027791.db2.gz HJDDHEODMZUYSM-GFCCVEGCSA-N 1 0 308.382 1.839 20 5 DDBDRO C[C@@H](CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000594817528 356326961 /nfs/dbraw/zinc/32/69/61/356326961.db2.gz SEMNCXNMFNIGAM-JTQLQIEISA-N 1 0 301.368 1.213 20 5 DDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CCc2ccoc2)cc1 ZINC000594732775 356300897 /nfs/dbraw/zinc/30/08/97/356300897.db2.gz NGINEOCZIZCWJE-UHFFFAOYSA-N 1 0 324.358 1.794 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](C)Cn1cncn1 ZINC000595016104 356372112 /nfs/dbraw/zinc/37/21/12/356372112.db2.gz PZTDHZKDOOUUKJ-QWRGUYRKSA-N 1 0 305.338 1.934 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](C)[C@H]1CN(C)CCO1 ZINC000595022524 356373613 /nfs/dbraw/zinc/37/36/13/356373613.db2.gz MINHXMKUNGBZOP-MQIPJXDCSA-N 1 0 323.393 1.973 20 5 DDBDRO Cc1cc(S(=O)(=O)N(C)CC(C)(C)[NH3+])ccc1[N+](=O)[O-] ZINC000595116350 356384847 /nfs/dbraw/zinc/38/48/47/356384847.db2.gz QJHDWJCFWYCRJC-UHFFFAOYSA-N 1 0 301.368 1.261 20 5 DDBDRO Cc1cc(S(=O)(=O)N(C)[C@H]2CC[NH2+]C2)c(F)cc1[N+](=O)[O-] ZINC000601338117 358505265 /nfs/dbraw/zinc/50/52/65/358505265.db2.gz OFDVZIUIXCROHP-VIFPVBQESA-N 1 0 317.342 1.025 20 5 DDBDRO CCC[N@@H+]1CC[C@@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000595455198 356499664 /nfs/dbraw/zinc/49/96/64/356499664.db2.gz SZGRDZWJLBSSLX-CYBMUJFWSA-N 1 0 306.366 1.878 20 5 DDBDRO CCOc1cc(C(=O)NC[C@@H]([NH3+])C2CC2)c([N+](=O)[O-])cc1OC ZINC000236891891 202056687 /nfs/dbraw/zinc/05/66/87/202056687.db2.gz CKZLDXXHGQNTLU-LLVKDONJSA-N 1 0 323.349 1.469 20 5 DDBDRO CCOc1ccc(C(=O)N2CCC(C[NH3+])CC2)cc1[N+](=O)[O-] ZINC000236896121 202057786 /nfs/dbraw/zinc/05/77/86/202057786.db2.gz BCIOHWKYPGKMPC-UHFFFAOYSA-N 1 0 307.350 1.804 20 5 DDBDRO COC(=O)[C@@H]1OCC[C@@H]1[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000595665431 356600419 /nfs/dbraw/zinc/60/04/19/356600419.db2.gz ZZMHNUCTWPLGJK-LEWSCRJBSA-N 1 0 308.334 1.884 20 5 DDBDRO O=C1CC[C@@H]2C[N@H+](CCOc3ccccc3[N+](=O)[O-])CC[C@@H]2N1 ZINC000595737066 356629511 /nfs/dbraw/zinc/62/95/11/356629511.db2.gz GOECIWRFBOWWRU-OLZOCXBDSA-N 1 0 319.361 1.574 20 5 DDBDRO C[C@]12COC[C@H]1C[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C2 ZINC000595758425 356639398 /nfs/dbraw/zinc/63/93/98/356639398.db2.gz MYBJAFYYLDLOPZ-IOASZLSFSA-N 1 0 322.361 1.303 20 5 DDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000601346960 358509169 /nfs/dbraw/zinc/50/91/69/358509169.db2.gz CZRJYUWQEFJRTB-PHIMTYICSA-N 1 0 311.363 1.028 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000601347168 358509188 /nfs/dbraw/zinc/50/91/88/358509188.db2.gz GWMJOSUQTNNYKZ-PHIMTYICSA-N 1 0 311.363 1.028 20 5 DDBDRO COC(=O)[C@H]1C[C@@H]([N@H+](C)Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000595848124 356675780 /nfs/dbraw/zinc/67/57/80/356675780.db2.gz NCCOJBZDPRJTEV-TXEJJXNPSA-N 1 0 308.334 1.987 20 5 DDBDRO CCC[N@H+](C)CC(C)(C)NCCn1cc([N+](=O)[O-])ccc1=O ZINC000595873635 356687132 /nfs/dbraw/zinc/68/71/32/356687132.db2.gz OQHIGXRHVAAWSV-UHFFFAOYSA-N 1 0 310.398 1.467 20 5 DDBDRO Cc1c(NC(=O)[C@@H](C)N2CC[C@@H](F)[C@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000595906310 356700648 /nfs/dbraw/zinc/70/06/48/356700648.db2.gz JHROSMOHHHTELG-IJLUTSLNSA-N 1 0 324.356 1.601 20 5 DDBDRO CCOc1cc(C(=O)N[C@H](C)C[NH2+]C)c([N+](=O)[O-])cc1OC ZINC000595981964 356734422 /nfs/dbraw/zinc/73/44/22/356734422.db2.gz HUXVDTWYMUJIDR-SECBINFHSA-N 1 0 311.338 1.340 20 5 DDBDRO C[C@@]1(NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC[NH2+]C1 ZINC000595992879 356739219 /nfs/dbraw/zinc/73/92/19/356739219.db2.gz TXPRDXMPNBAMIS-OAHLLOKOSA-N 1 0 315.333 1.262 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@]1(C)CC[NH2+]C1 ZINC000596048883 356752867 /nfs/dbraw/zinc/75/28/67/356752867.db2.gz FUZLFHZGPHMPCV-CYBMUJFWSA-N 1 0 313.379 1.242 20 5 DDBDRO CC(C)[C@H](CNc1cc[nH]c(=O)c1[N+](=O)[O-])[NH+]1CCN(C)CC1 ZINC000596070147 356761020 /nfs/dbraw/zinc/76/10/20/356761020.db2.gz OGNXKTOXPVPHGO-ZDUSSCGKSA-N 1 0 323.397 1.379 20 5 DDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000596091136 356768693 /nfs/dbraw/zinc/76/86/93/356768693.db2.gz WBAQOBARJUHHLH-SNVBAGLBSA-N 1 0 304.350 1.603 20 5 DDBDRO COc1cccc(N2CCC([N@@H+]3CC[C@H](O)C3)CC2)c1[N+](=O)[O-] ZINC000596540545 356911088 /nfs/dbraw/zinc/91/10/88/356911088.db2.gz UISGTZUNGIDHKQ-ZDUSSCGKSA-N 1 0 321.377 1.639 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1CN1CCN([C@@H]2CCOC2)CC1 ZINC000597202566 357090919 /nfs/dbraw/zinc/09/09/19/357090919.db2.gz FIMXWALZITXXGG-MRXNPFEDSA-N 1 0 305.378 1.810 20 5 DDBDRO Cc1n[nH]c(C(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000597854857 357358853 /nfs/dbraw/zinc/35/88/53/357358853.db2.gz NQTVKNAOBPXMIY-JTQLQIEISA-N 1 0 309.370 1.477 20 5 DDBDRO COc1ccc(CC(=O)NCC[C@H](C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000597993685 357409241 /nfs/dbraw/zinc/40/92/41/357409241.db2.gz VOJOKHIMCLYXFD-NSHDSACASA-N 1 0 309.366 1.602 20 5 DDBDRO CCN(C(=O)c1cc([N+](=O)[O-])cnc1C)[C@@H]1CC[N@H+](CC)C1 ZINC000598041302 357439029 /nfs/dbraw/zinc/43/90/29/357439029.db2.gz KXPMKQFSDROYJG-GFCCVEGCSA-N 1 0 306.366 1.855 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)n1 ZINC000597920421 357381831 /nfs/dbraw/zinc/38/18/31/357381831.db2.gz BTGHCHBQOPIFOY-JTQLQIEISA-N 1 0 309.370 1.414 20 5 DDBDRO CC[C@@H]1CN(C(=O)CCNc2ccccc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000598536857 357624743 /nfs/dbraw/zinc/62/47/43/357624743.db2.gz ZWJORJZLNDGDIP-QWHCGFSZSA-N 1 0 320.393 1.996 20 5 DDBDRO CCC[N@H+](C)CC(C)(C)NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000598465391 357593243 /nfs/dbraw/zinc/59/32/43/357593243.db2.gz MPXIAMVGYRBDCI-UHFFFAOYSA-N 1 0 310.354 1.546 20 5 DDBDRO COC(=O)c1ccnc(N2CCC[C@H]([NH2+]C(C)C)C2)c1[N+](=O)[O-] ZINC000598592271 357644339 /nfs/dbraw/zinc/64/43/39/357644339.db2.gz INFXCMRLHOKHBJ-NSHDSACASA-N 1 0 322.365 1.743 20 5 DDBDRO COC(=O)c1ccnc(N(C)C[C@H]2CCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000598631032 357662544 /nfs/dbraw/zinc/66/25/44/357662544.db2.gz NYCNXFPSMPWJKQ-SNVBAGLBSA-N 1 0 308.338 1.307 20 5 DDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000598680451 357684570 /nfs/dbraw/zinc/68/45/70/357684570.db2.gz BWNSGVKLMZPVSO-HSMVNMDESA-N 1 0 318.377 1.735 20 5 DDBDRO O=C(NC[C@@H]1C[NH2+]CCCO1)Nc1ccc([N+](=O)[O-])cc1F ZINC000598913547 357756816 /nfs/dbraw/zinc/75/68/16/357756816.db2.gz LUCZMQOJAUNQTP-JTQLQIEISA-N 1 0 312.301 1.234 20 5 DDBDRO CC[C@@H]1[NH2+]CC[C@H]1NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000599108296 357817622 /nfs/dbraw/zinc/81/76/22/357817622.db2.gz WICZGMXQOSIKJE-QWHCGFSZSA-N 1 0 313.379 1.155 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@@H]2CC[NH2+][C@H]2C)c1C ZINC000599110743 357818466 /nfs/dbraw/zinc/81/84/66/357818466.db2.gz MUQGGQANBIHCKU-CMPLNLGQSA-N 1 0 313.379 1.240 20 5 DDBDRO Cc1c([C@H](C)[NH2+]CCNC(=O)c2ccn[nH]2)cccc1[N+](=O)[O-] ZINC000180218463 199132471 /nfs/dbraw/zinc/13/24/71/199132471.db2.gz CEVNMJVPPGHLCE-NSHDSACASA-N 1 0 317.349 1.707 20 5 DDBDRO COc1ccc(C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000237354020 202241432 /nfs/dbraw/zinc/24/14/32/202241432.db2.gz PSPULNFQYXKWHH-JQWIXIFHSA-N 1 0 307.350 1.803 20 5 DDBDRO Cc1c(NC(=O)[C@H](C)N(C)CCOCC[NH3+])cccc1[N+](=O)[O-] ZINC000600736688 358301767 /nfs/dbraw/zinc/30/17/67/358301767.db2.gz ROZDVDPAYDWMLK-LBPRGKRZSA-N 1 0 324.381 1.137 20 5 DDBDRO O=C(CC[NH2+]C[C@@H](O)[C@@H]1CCCO1)Nc1ccccc1[N+](=O)[O-] ZINC000600760323 358310250 /nfs/dbraw/zinc/31/02/50/358310250.db2.gz UZDHKYIJIOMVLI-KGLIPLIRSA-N 1 0 323.349 1.053 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC1([NH+](C)C)CC1 ZINC000601448496 358557865 /nfs/dbraw/zinc/55/78/65/358557865.db2.gz JBDOFFJIPDOMER-UHFFFAOYSA-N 1 0 313.379 1.276 20 5 DDBDRO CC[C@@H](C(=O)N[C@](C)(CO)c1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000601775625 358690102 /nfs/dbraw/zinc/69/01/02/358690102.db2.gz GQPHFJGCRNNMSC-DZGCQCFKSA-N 1 0 309.366 1.259 20 5 DDBDRO O=C(CNc1ccccc1[N+](=O)[O-])N[C@H]1C[C@@H]([NH+]2CCCC2)C1 ZINC000602174844 358864265 /nfs/dbraw/zinc/86/42/65/358864265.db2.gz VNBJIMOKDIGFQV-BETUJISGSA-N 1 0 318.377 1.750 20 5 DDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@]1(C[NH3+])CCCOC1 ZINC000602442426 358979048 /nfs/dbraw/zinc/97/90/48/358979048.db2.gz ALZRYKJGNZCQPT-HNNXBMFYSA-N 1 0 307.350 1.309 20 5 DDBDRO O=C(C[NH2+]CCc1ccc([N+](=O)[O-])cc1)NCc1ccco1 ZINC000602512294 359021157 /nfs/dbraw/zinc/02/11/57/359021157.db2.gz SMXSTWNGIZWAAQ-UHFFFAOYSA-N 1 0 303.318 1.636 20 5 DDBDRO CNc1ccc(C(=O)N2CC[NH2+]C[C@H]2C(C)C)cc1[N+](=O)[O-] ZINC000602527822 359027214 /nfs/dbraw/zinc/02/72/14/359027214.db2.gz MCXDNOLFDPWFIG-AWEZNQCLSA-N 1 0 306.366 1.707 20 5 DDBDRO CC(C)[C@@H]1C[NH2+]CCN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000602531637 359029990 /nfs/dbraw/zinc/02/99/90/359029990.db2.gz WARJPWBGXLWDSQ-AWEZNQCLSA-N 1 0 307.350 1.430 20 5 DDBDRO COC[C@]1(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)CCCC[NH2+]1 ZINC000602443408 358979865 /nfs/dbraw/zinc/97/98/65/358979865.db2.gz UWRXEKYCHKYUKD-LRDDRELGSA-N 1 0 321.377 1.931 20 5 DDBDRO CC[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C(=O)N1CCOCC1 ZINC000602563090 359046941 /nfs/dbraw/zinc/04/69/41/359046941.db2.gz FFXMOZQRVHIRRZ-HNNXBMFYSA-N 1 0 321.377 1.364 20 5 DDBDRO Cc1nc2ccccc2nc1C[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000602567520 359048243 /nfs/dbraw/zinc/04/82/43/359048243.db2.gz FJVTXMCDQQJZHX-UHFFFAOYSA-N 1 0 312.333 1.833 20 5 DDBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000602589147 359058023 /nfs/dbraw/zinc/05/80/23/359058023.db2.gz CZBZTWBGOIZENW-OKILXGFUSA-N 1 0 318.377 1.750 20 5 DDBDRO COC(=O)[C@]12C[N@H+](Cc3cn(C)nc3[N+](=O)[O-])C[C@H]1CCCC2 ZINC000602708815 359138915 /nfs/dbraw/zinc/13/89/15/359138915.db2.gz XZSVHANLQLQJMB-IUODEOHRSA-N 1 0 322.365 1.494 20 5 DDBDRO CC(C)c1ccc(CN2CC[N@H+](C)C[C@@H]2CO)cc1[N+](=O)[O-] ZINC000602716949 359144969 /nfs/dbraw/zinc/14/49/69/359144969.db2.gz VZYGJYPHRFUOEA-CQSZACIVSA-N 1 0 307.394 1.827 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 ZINC000602819418 359214721 /nfs/dbraw/zinc/21/47/21/359214721.db2.gz BGPUSIKALOJBCS-YWPYICTPSA-N 1 0 324.381 1.368 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](CO)C[NH+]2CCCC2)c1 ZINC000603052625 359378445 /nfs/dbraw/zinc/37/84/45/359378445.db2.gz JXPAAPVHUXYCBF-LBPRGKRZSA-N 1 0 307.350 1.090 20 5 DDBDRO C[C@H](c1cccc([N+](=O)[O-])c1)n1cc(C[C@@H]2CC[NH2+]C2)nn1 ZINC000603185823 359465381 /nfs/dbraw/zinc/46/53/81/359465381.db2.gz OBNPPLBWRWYEIQ-NEPJUHHUSA-N 1 0 301.350 1.948 20 5 DDBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)n1cc(CN2CC[NH2+]CC2)nn1 ZINC000603185397 359465718 /nfs/dbraw/zinc/46/57/18/359465718.db2.gz HFJIOLGOUWLIRG-LBPRGKRZSA-N 1 0 316.365 1.201 20 5 DDBDRO Cn1cc(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)c([N+](=O)[O-])n1 ZINC000603430805 359634966 /nfs/dbraw/zinc/63/49/66/359634966.db2.gz VAIXNJCVJXTNOS-MGPQQGTHSA-N 1 0 323.397 1.189 20 5 DDBDRO CC[N@H+](CCO)CCNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000187163611 200069894 /nfs/dbraw/zinc/06/98/94/200069894.db2.gz YIGVFIPCWFGAFI-LBPRGKRZSA-N 1 0 324.381 1.269 20 5 DDBDRO O=C(CN1C[C@H]2C[NH2+]C[C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000603910352 359701240 /nfs/dbraw/zinc/70/12/40/359701240.db2.gz QHJZTSFXEJKBOA-NXEZZACHSA-N 1 0 324.768 1.338 20 5 DDBDRO C[N@@H+]1CCC[C@@H](NC(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000604199711 359725722 /nfs/dbraw/zinc/72/57/22/359725722.db2.gz TYNKBAOIXOTXIY-LLVKDONJSA-N 1 0 309.391 1.897 20 5 DDBDRO C[C@@H](O)C[NH+]1CCN(CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000189338475 200383802 /nfs/dbraw/zinc/38/38/02/200383802.db2.gz DFBDPMPUQBFWRZ-CQSZACIVSA-N 1 0 323.393 1.362 20 5 DDBDRO CNC(=O)c1ccc(N[C@@H]2CC[N@H+](CC3CC3)C2)c([N+](=O)[O-])c1 ZINC000609384323 360302982 /nfs/dbraw/zinc/30/29/82/360302982.db2.gz JDQLWRKFZMTUDE-CYBMUJFWSA-N 1 0 318.377 1.851 20 5 DDBDRO O=C(NCc1ccccc1[N+](=O)[O-])N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000609399724 360304010 /nfs/dbraw/zinc/30/40/10/360304010.db2.gz LPUNLAYTAOWHFE-CQSZACIVSA-N 1 0 318.377 1.878 20 5 DDBDRO Cc1ccc(C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C2CC2)o1 ZINC000610367739 360422828 /nfs/dbraw/zinc/42/28/28/360422828.db2.gz OAWBGNSKJDUQKC-AWEZNQCLSA-N 1 0 320.349 1.718 20 5 DDBDRO CN(CCCC[NH+](C)C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000610519103 360460186 /nfs/dbraw/zinc/46/01/86/360460186.db2.gz KIRFPVBRVPXXKR-UHFFFAOYSA-N 1 0 315.395 1.557 20 5 DDBDRO CC(C)(CO)[NH+]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000611166010 360643053 /nfs/dbraw/zinc/64/30/53/360643053.db2.gz XHTZHNHDELMRTO-UHFFFAOYSA-N 1 0 321.377 1.052 20 5 DDBDRO CC(C)CN(CC(N)=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611257181 360680838 /nfs/dbraw/zinc/68/08/38/360680838.db2.gz IRQJCCUWLVQQLQ-UHFFFAOYSA-N 1 0 323.349 1.309 20 5 DDBDRO CCC[C@@H]1CN(c2cccnc2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000611228213 360667715 /nfs/dbraw/zinc/66/77/15/360667715.db2.gz UEUPOFMUMZFUAU-CYBMUJFWSA-N 1 0 308.382 1.927 20 5 DDBDRO C[C@@H](O)C[NH+]1CCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000194814131 201294230 /nfs/dbraw/zinc/29/42/30/201294230.db2.gz SLXBFXTVKVBBNK-LLVKDONJSA-N 1 0 324.337 1.001 20 5 DDBDRO Cc1cc([C@H](C)[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c(C)o1 ZINC000195269212 201369830 /nfs/dbraw/zinc/36/98/30/201369830.db2.gz OVUOJSOKKALNDF-GXFFZTMASA-N 1 0 308.338 1.713 20 5 DDBDRO CC(C)[N@H+](C)C[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000349804261 284059933 /nfs/dbraw/zinc/05/99/33/284059933.db2.gz UVIRLTGVXZBWCR-NSHDSACASA-N 1 0 315.395 1.602 20 5 DDBDRO COc1cc(C(=O)NCC[C@H]2CC[NH2+]C2)c([N+](=O)[O-])cc1OC ZINC000261766801 203112265 /nfs/dbraw/zinc/11/22/65/203112265.db2.gz QIMKJGVUHWRGQY-SNVBAGLBSA-N 1 0 323.349 1.341 20 5 DDBDRO COc1ccc(CNC(=O)C[C@@H]2CCC[C@H]2[NH3+])cc1[N+](=O)[O-] ZINC000261781582 203115331 /nfs/dbraw/zinc/11/53/31/203115331.db2.gz PJCZMZUVBUMHSI-NWDGAFQWSA-N 1 0 307.350 1.737 20 5 DDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000262254965 203242483 /nfs/dbraw/zinc/24/24/83/203242483.db2.gz SYWWNSPITHEMEN-CQSZACIVSA-N 1 0 306.366 1.814 20 5 DDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000359297654 299402027 /nfs/dbraw/zinc/40/20/27/299402027.db2.gz DYPISXUQMGDSJI-IJLUTSLNSA-N 1 0 304.350 1.073 20 5 DDBDRO COc1ccc(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)cc1[N+](=O)[O-] ZINC000262438955 203294599 /nfs/dbraw/zinc/29/45/99/203294599.db2.gz GQADQCDIFNCWIP-RYUDHWBXSA-N 1 0 305.334 1.285 20 5 DDBDRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000262592002 203343086 /nfs/dbraw/zinc/34/30/86/203343086.db2.gz RSZSTINSKBLDAZ-STQMWFEESA-N 1 0 321.377 1.950 20 5 DDBDRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000262591999 203343421 /nfs/dbraw/zinc/34/34/21/203343421.db2.gz RSZSTINSKBLDAZ-CHWSQXEVSA-N 1 0 321.377 1.950 20 5 DDBDRO COc1ccc(C[NH2+]CC(C)(C)S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000093519527 193262754 /nfs/dbraw/zinc/26/27/54/193262754.db2.gz FMWZTJYCBFZVOO-UHFFFAOYSA-N 1 0 316.379 1.516 20 5 DDBDRO C[NH+](C)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000264626940 204037722 /nfs/dbraw/zinc/03/77/22/204037722.db2.gz PZDHGNWXZVODAI-GFCCVEGCSA-N 1 0 313.379 1.310 20 5 DDBDRO NC(=O)[C@H]1CCC[N@@H+]1CCCNc1ccc([N+](=O)[O-])cc1F ZINC000264571338 204003198 /nfs/dbraw/zinc/00/31/98/204003198.db2.gz HPIXLCPJWZKXID-CYBMUJFWSA-N 1 0 310.329 1.486 20 5 DDBDRO CNC(=O)c1ccc(N[C@@H]2CC[N@H+](CCOC)C2)c([N+](=O)[O-])c1 ZINC000264585584 204012701 /nfs/dbraw/zinc/01/27/01/204012701.db2.gz KKXILBXPLZEJBS-GFCCVEGCSA-N 1 0 322.365 1.087 20 5 DDBDRO CCCc1n[nH]c(C(=O)NCC[N@H+](C)[C@@H](C)CC)c1[N+](=O)[O-] ZINC000264664657 204061969 /nfs/dbraw/zinc/06/19/69/204061969.db2.gz JHHVSGGKUHSIKT-JTQLQIEISA-N 1 0 311.386 1.731 20 5 DDBDRO C[NH+](C)CCCCNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000264876279 204229982 /nfs/dbraw/zinc/22/99/82/204229982.db2.gz HHVRAEGATSDRRT-UHFFFAOYSA-N 1 0 309.366 1.822 20 5 DDBDRO CN(C(=O)CN1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000351472931 284329048 /nfs/dbraw/zinc/32/90/48/284329048.db2.gz BWUYMTUJTUHDIH-TUKIKUTGSA-N 1 0 318.377 1.227 20 5 DDBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000282728777 217206631 /nfs/dbraw/zinc/20/66/31/217206631.db2.gz LAZWGSFMDIEBQJ-HNNXBMFYSA-N 1 0 320.393 1.873 20 5 DDBDRO CC[C@H](CO)[NH+]1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000266200013 205178495 /nfs/dbraw/zinc/17/84/95/205178495.db2.gz JBDQHYRKZOXQFI-GFCCVEGCSA-N 1 0 309.366 1.496 20 5 DDBDRO COc1cc(N[C@H](C)CN2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000266386548 205308377 /nfs/dbraw/zinc/30/83/77/205308377.db2.gz NOEDMUGMIJBHEI-GFCCVEGCSA-N 1 0 308.382 1.651 20 5 DDBDRO Cc1ccc(NCCCNC(=O)C2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000161541455 197502513 /nfs/dbraw/zinc/50/25/13/197502513.db2.gz TZXPPVSMWORSNI-UHFFFAOYSA-N 1 0 320.393 1.821 20 5 DDBDRO CC[NH+]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000021265716 182270242 /nfs/dbraw/zinc/27/02/42/182270242.db2.gz QFLOLBFOYKHTNK-UHFFFAOYSA-N 1 0 322.365 1.179 20 5 DDBDRO O=C(NCCC[NH2+]Cc1cccnc1)c1cc([N+](=O)[O-])c[nH]1 ZINC000336850348 249256570 /nfs/dbraw/zinc/25/65/70/249256570.db2.gz RTSSIPAKHKVPEO-UHFFFAOYSA-N 1 0 303.322 1.228 20 5 DDBDRO CC[NH+](CC)C[C@H](C)NC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000336862234 249269774 /nfs/dbraw/zinc/26/97/74/249269774.db2.gz HTEYFLBEVKOYHI-VIFPVBQESA-N 1 0 312.345 1.776 20 5 DDBDRO CO[C@H]1C[C@@H](CN(C)c2ncc(Cl)cc2[N+](=O)[O-])[N@H+](C)C1 ZINC000284628844 218107041 /nfs/dbraw/zinc/10/70/41/218107041.db2.gz UMSGLUVSEUGWDX-QWRGUYRKSA-N 1 0 314.773 1.799 20 5 DDBDRO CC[N@H+](CCNC(=O)c1cc(C)cc([N+](=O)[O-])c1N)C1CC1 ZINC000104882894 194049739 /nfs/dbraw/zinc/04/97/39/194049739.db2.gz SGSVZMMDEZMLPB-UHFFFAOYSA-N 1 0 306.366 1.700 20 5 DDBDRO C[N@@H+]1CC[C@H]2OCCN(CCOc3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000284740404 218158297 /nfs/dbraw/zinc/15/82/97/218158297.db2.gz DJIMXOKRVHQONB-HZPDHXFCSA-N 1 0 321.377 1.379 20 5 DDBDRO Cc1nn(C)c(C(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)c1[N+](=O)[O-] ZINC000294090773 223846277 /nfs/dbraw/zinc/84/62/77/223846277.db2.gz KFYKXYSNIQXZJU-OAHLLOKOSA-N 1 0 321.381 1.195 20 5 DDBDRO COc1cc(C(=O)N2CCC[C@@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000106363868 194200996 /nfs/dbraw/zinc/20/09/96/194200996.db2.gz HEVUREQXOGBZHL-GFCCVEGCSA-N 1 0 307.350 1.770 20 5 DDBDRO CO[C@H]1C[C@@H](CN(C)C(=O)c2ccc([N+](=O)[O-])c([O-])c2)[N@H+](C)C1 ZINC000285348983 218391993 /nfs/dbraw/zinc/39/19/93/218391993.db2.gz WWYREDMGFVOXAW-RYUDHWBXSA-N 1 0 323.349 1.092 20 5 DDBDRO C[C@H]([NH3+])C1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000110647981 194345306 /nfs/dbraw/zinc/34/53/06/194345306.db2.gz OCPHBTABKPAQQU-JTQLQIEISA-N 1 0 313.379 1.343 20 5 DDBDRO NC(=O)CC1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000065534893 184362459 /nfs/dbraw/zinc/36/24/59/184362459.db2.gz STYULWCCZUISRQ-UHFFFAOYSA-N 1 0 307.350 1.561 20 5 DDBDRO CC[N@H+](C)CCNS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000158960356 197314171 /nfs/dbraw/zinc/31/41/71/197314171.db2.gz RDNJOXFUFLNQAV-UHFFFAOYSA-N 1 0 315.395 1.008 20 5 DDBDRO O=[N+]([O-])c1ccccc1N1CC[NH+](CCn2ccnc2)CC1 ZINC000176808587 285163574 /nfs/dbraw/zinc/16/35/74/285163574.db2.gz YJBWCSUBKLXJQJ-UHFFFAOYSA-N 1 0 301.350 1.614 20 5 DDBDRO COC[C@H]1CCCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000452028472 533130834 /nfs/dbraw/zinc/13/08/34/533130834.db2.gz HFXUIFUSYPTRKX-CABCVRRESA-N 1 0 324.377 1.835 20 5 DDBDRO C[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1CCC[C@@H]1O ZINC000352657977 285202594 /nfs/dbraw/zinc/20/25/94/285202594.db2.gz CPNFMVGJLPMTBJ-STQMWFEESA-N 1 0 318.333 1.990 20 5 DDBDRO C[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[C@@H]1O ZINC000352696690 285234978 /nfs/dbraw/zinc/23/49/78/285234978.db2.gz JZUVJRYQXCGMNN-CFVMTHIKSA-N 1 0 310.350 1.180 20 5 DDBDRO CC1(C)C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@@H]1[C@H]1CCCO1 ZINC000289683222 221151807 /nfs/dbraw/zinc/15/18/07/221151807.db2.gz HUCLQSZCLQRODY-UKRRQHHQSA-N 1 0 321.377 1.646 20 5 DDBDRO COC[C@@]1(C(=O)N(C)Cc2ccccc2[N+](=O)[O-])CC[NH2+]C1 ZINC000262544575 285316082 /nfs/dbraw/zinc/31/60/82/285316082.db2.gz RNOYNKOXIHLBKJ-OAHLLOKOSA-N 1 0 307.350 1.179 20 5 DDBDRO CC[NH+]1CCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C)CC1 ZINC000289927458 221322214 /nfs/dbraw/zinc/32/22/14/221322214.db2.gz RARQLPIRWFPRSN-UHFFFAOYSA-N 1 0 316.365 1.532 20 5 DDBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000289939623 221330233 /nfs/dbraw/zinc/33/02/33/221330233.db2.gz WAMQLMRNRBMLBF-STQMWFEESA-N 1 0 318.377 1.465 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000414661062 533227280 /nfs/dbraw/zinc/22/72/80/533227280.db2.gz WNZHIPPUIXIRNN-ONGXEEELSA-N 1 0 308.338 1.723 20 5 DDBDRO O=C(CNc1ccccc1[N+](=O)[O-])N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000290159926 221456812 /nfs/dbraw/zinc/45/68/12/221456812.db2.gz NXKBDCSSAMVQPL-NWDGAFQWSA-N 1 0 304.350 1.075 20 5 DDBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)C[C@H]1CCOC1 ZINC000494957214 533327757 /nfs/dbraw/zinc/32/77/57/533327757.db2.gz NSWXHYMFZIQFRE-NWDGAFQWSA-N 1 0 307.350 1.890 20 5 DDBDRO CO[C@@H]1CCN(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000414666967 533403790 /nfs/dbraw/zinc/40/37/90/533403790.db2.gz XEIIRWABCPWWDF-QWHCGFSZSA-N 1 0 322.365 1.873 20 5 DDBDRO COc1cccc(C(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)c1[N+](=O)[O-] ZINC000422762911 533417543 /nfs/dbraw/zinc/41/75/43/533417543.db2.gz NBXKNNODPCMNHE-MNOVXSKESA-N 1 0 307.350 1.721 20 5 DDBDRO COc1ccc(CNC(=O)N(C)CC(C)(C)C[NH3+])cc1[N+](=O)[O-] ZINC000417186512 533592054 /nfs/dbraw/zinc/59/20/54/533592054.db2.gz FLURUBDCSJMIMW-UHFFFAOYSA-N 1 0 324.381 1.730 20 5 DDBDRO COc1cc(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cc([N+](=O)[O-])c1C ZINC000423596188 533548086 /nfs/dbraw/zinc/54/80/86/533548086.db2.gz RCVQKRIPIVKNHG-VXGBXAGGSA-N 1 0 307.350 1.912 20 5 DDBDRO COC(=O)COc1ccc(CNc2[nH+]ccn2C)cc1[N+](=O)[O-] ZINC000414309612 533559313 /nfs/dbraw/zinc/55/93/13/533559313.db2.gz VGQFLJLFSXXPBE-UHFFFAOYSA-N 1 0 320.305 1.492 20 5 DDBDRO C[C@H](NC(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccccc1[N+](=O)[O-] ZINC000417988179 533603804 /nfs/dbraw/zinc/60/38/04/533603804.db2.gz RVMDRWJGCLDJTM-XQQFMLRXSA-N 1 0 318.377 1.907 20 5 DDBDRO COc1ccc(CNC(=O)[C@H]2C[C@H](C)CC[NH2+]2)cc1[N+](=O)[O-] ZINC000423055132 533644289 /nfs/dbraw/zinc/64/42/89/533644289.db2.gz CSWIQWSTCSROEK-ZYHUDNBSSA-N 1 0 307.350 1.608 20 5 DDBDRO C[N@H+](Cc1ccccc1)C1CN(C(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC000568921332 304321597 /nfs/dbraw/zinc/32/15/97/304321597.db2.gz AZHNFGBWABINSO-UHFFFAOYSA-N 1 0 315.333 1.274 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@H]([NH3+])C[C@@H]1C ZINC000569017351 304330658 /nfs/dbraw/zinc/33/06/58/304330658.db2.gz IRDZNEBTSJTOKK-QWRGUYRKSA-N 1 0 322.365 1.354 20 5 DDBDRO COc1cccc(C(=O)NC[C@H](C2CC2)[NH+](C)C)c1[N+](=O)[O-] ZINC000444036893 286444038 /nfs/dbraw/zinc/44/40/38/286444038.db2.gz UOKJBOXVBGPUCC-GFCCVEGCSA-N 1 0 307.350 1.673 20 5 DDBDRO CC[C@H](C)[N@H+](C)CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000068338287 406633157 /nfs/dbraw/zinc/63/31/57/406633157.db2.gz VHQUPZQBELGFHM-VIFPVBQESA-N 1 0 312.345 1.776 20 5 DDBDRO [NH3+]C[C@H]1CCCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000044528915 407025723 /nfs/dbraw/zinc/02/57/23/407025723.db2.gz VVHLPSZMYDJBRQ-GFCCVEGCSA-N 1 0 313.379 1.095 20 5 DDBDRO O=[N+]([O-])c1nn(CC[C@H]2CCC[NH2+]C2)cc1Br ZINC000051919972 407145394 /nfs/dbraw/zinc/14/53/94/407145394.db2.gz UAIWYWVJMPRZCR-MRVPVSSYSA-N 1 0 303.160 1.944 20 5 DDBDRO C[C@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000055539196 407204211 /nfs/dbraw/zinc/20/42/11/407204211.db2.gz JGHLNLUASHNRJU-CYBMUJFWSA-N 1 0 305.378 1.985 20 5 DDBDRO C[N@@H+]1CCCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)CC1 ZINC000097617813 407300214 /nfs/dbraw/zinc/30/02/14/407300214.db2.gz XNQBTEHEWUNMGG-UHFFFAOYSA-N 1 0 309.391 1.851 20 5 DDBDRO CC(C)OC[C@H](O)C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000098066116 407305130 /nfs/dbraw/zinc/30/51/30/407305130.db2.gz JNVPOJYHZUGTHT-MRXNPFEDSA-N 1 0 323.393 1.503 20 5 DDBDRO COc1cc(C(=O)N[C@@H](C[NH3+])C2CC2)c([N+](=O)[O-])cc1OC ZINC000124292924 407353763 /nfs/dbraw/zinc/35/37/63/407353763.db2.gz ZRDWYCLHBMTGLP-JTQLQIEISA-N 1 0 309.322 1.079 20 5 DDBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCCNC1=O ZINC000105611714 407354806 /nfs/dbraw/zinc/35/48/06/407354806.db2.gz UCXKSFNMZVUYKO-CQSZACIVSA-N 1 0 307.350 1.574 20 5 DDBDRO CCOC(=O)CCN(C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000178558622 407490302 /nfs/dbraw/zinc/49/03/02/407490302.db2.gz HIJJHXHUPIHLDV-UHFFFAOYSA-N 1 0 323.349 1.443 20 5 DDBDRO CC(C)N(CC[NH+](C)C)C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000151817760 407505664 /nfs/dbraw/zinc/50/56/64/407505664.db2.gz PTMGVFIZOATICV-UHFFFAOYSA-N 1 0 322.409 1.830 20 5 DDBDRO O=C(NC[C@H]1CCC[NH2+]1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000178739172 407575550 /nfs/dbraw/zinc/57/55/50/407575550.db2.gz VILLWDLDFSLNNF-GFCCVEGCSA-N 1 0 304.350 1.651 20 5 DDBDRO COc1cc(OCC(=O)N[C@@H]2CCCC[C@H]2[NH3+])ccc1[N+](=O)[O-] ZINC000128364016 407524925 /nfs/dbraw/zinc/52/49/25/407524925.db2.gz ITYJXJZAPYZRMT-VXGBXAGGSA-N 1 0 323.349 1.368 20 5 DDBDRO CC[C@H]1CN(c2cc(OC)ccc2[N+](=O)[O-])CC[N@@H+]1C[C@@H](C)O ZINC000266397153 407537858 /nfs/dbraw/zinc/53/78/58/407537858.db2.gz OXUDAIOITGXYOQ-OLZOCXBDSA-N 1 0 323.393 1.885 20 5 DDBDRO COCCC[N@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000152487194 407643427 /nfs/dbraw/zinc/64/34/27/407643427.db2.gz RXNUXMFSPNUMCN-UHFFFAOYSA-N 1 0 301.368 1.354 20 5 DDBDRO CCCC[C@@H](C[NH3+])NS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000178969963 407677544 /nfs/dbraw/zinc/67/75/44/407677544.db2.gz IQRAEVOVHIPFBS-NSHDSACASA-N 1 0 315.395 1.699 20 5 DDBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@H](CCO)c1ccccc1 ZINC000266940280 407683116 /nfs/dbraw/zinc/68/31/16/407683116.db2.gz PRMMKQAQSFIAMS-OAHLLOKOSA-N 1 0 304.350 1.847 20 5 DDBDRO C[C@H]([NH2+]CCS(=O)(=O)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000230992798 407692187 /nfs/dbraw/zinc/69/21/87/407692187.db2.gz WBEMMKFFEXYQJN-JTQLQIEISA-N 1 0 301.368 1.137 20 5 DDBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000179066801 407709741 /nfs/dbraw/zinc/70/97/41/407709741.db2.gz RVKPMYNTENTNKA-ZYHUDNBSSA-N 1 0 309.391 1.896 20 5 DDBDRO Cn1cc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C)CC23CCCCC3)n1 ZINC000271386703 407661442 /nfs/dbraw/zinc/66/14/42/407661442.db2.gz KNZLJSWHSSMGHY-UHFFFAOYSA-N 1 0 321.381 1.419 20 5 DDBDRO COc1cc(C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000186685249 407744656 /nfs/dbraw/zinc/74/46/56/407744656.db2.gz XLXBXGKBJMLJBU-MWLCHTKSSA-N 1 0 323.349 1.340 20 5 DDBDRO C[N@@H+]1CCO[C@@H]2CN(c3ccc([N+](=O)[O-])c4cnccc43)C[C@@H]21 ZINC000153159692 407766453 /nfs/dbraw/zinc/76/64/53/407766453.db2.gz VUKRLOGMFPPUQF-JKSUJKDBSA-N 1 0 314.345 1.662 20 5 DDBDRO O=[N+]([O-])c1ccc(-c2noc(CN3CCC[C@@H](CO)C3)n2)cc1 ZINC000267162641 407773197 /nfs/dbraw/zinc/77/31/97/407773197.db2.gz QXPCYLXQULKKBG-LLVKDONJSA-N 1 0 318.333 1.849 20 5 DDBDRO Cc1c(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000186835453 407782918 /nfs/dbraw/zinc/78/29/18/407782918.db2.gz KDGZSJCNVXEWGA-QPUJVOFHSA-N 1 0 322.321 1.539 20 5 DDBDRO C[NH+](C)[C@H]1CCC[C@H](Nc2ncc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000267266616 407811820 /nfs/dbraw/zinc/81/18/20/407811820.db2.gz LKTGPDKAFMGZAF-UWVGGRQHSA-N 1 0 307.354 1.373 20 5 DDBDRO Cc1ccc(NC(=O)C(=O)NC[C@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000118107025 407893039 /nfs/dbraw/zinc/89/30/39/407893039.db2.gz BQQCOTGYCCIVPF-GFCCVEGCSA-N 1 0 320.349 1.052 20 5 DDBDRO C[C@H]1CN(C(=O)CCOc2ccccc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000153797948 407905613 /nfs/dbraw/zinc/90/56/13/407905613.db2.gz LWARUEVJTSZSLC-RYUDHWBXSA-N 1 0 307.350 1.573 20 5 DDBDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000180754489 407915884 /nfs/dbraw/zinc/91/58/84/407915884.db2.gz JADLIZKSOJGVFY-NSHDSACASA-N 1 0 322.365 1.018 20 5 DDBDRO C[N@@H+]1CC[C@@H](CNC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C1 ZINC000272583420 407995535 /nfs/dbraw/zinc/99/55/35/407995535.db2.gz SCPUYFHGWOPXRK-JTQLQIEISA-N 1 0 313.304 1.755 20 5 DDBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc(N)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000272596233 408000224 /nfs/dbraw/zinc/00/02/24/408000224.db2.gz IMISXLNLOUTTKI-IINYFYTJSA-N 1 0 304.350 1.343 20 5 DDBDRO CC[C@@H]1C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000273121059 408063699 /nfs/dbraw/zinc/06/36/99/408063699.db2.gz HMMOILAFVIHNSM-DYEKYZERSA-N 1 0 310.350 1.037 20 5 DDBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000119581449 408100089 /nfs/dbraw/zinc/10/00/89/408100089.db2.gz VLMKQDMUEHLALU-CYBMUJFWSA-N 1 0 323.397 1.276 20 5 DDBDRO [NH3+][C@H](CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C1CC1 ZINC000137393718 408153807 /nfs/dbraw/zinc/15/38/07/408153807.db2.gz ZNHWTUYEROEFHB-CYBMUJFWSA-N 1 0 318.377 1.662 20 5 DDBDRO Cc1c(C(=O)NCC(C)(C)[NH+](C)C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000121225294 408167996 /nfs/dbraw/zinc/16/79/96/408167996.db2.gz DSDXSIKXYOIALQ-UHFFFAOYSA-N 1 0 324.337 1.881 20 5 DDBDRO CC[C@@H](C)[N@H+](C)CCNc1ncc(C(=O)OC)cc1[N+](=O)[O-] ZINC000190171661 408182422 /nfs/dbraw/zinc/18/24/22/408182422.db2.gz OQJVSMPWHHRTAA-SNVBAGLBSA-N 1 0 310.354 1.919 20 5 DDBDRO C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)[C@@H](C)C[NH2+]1 ZINC000156176429 408241639 /nfs/dbraw/zinc/24/16/39/408241639.db2.gz IHTGYHOLFYGWIL-SFYZADRCSA-N 1 0 305.381 1.027 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C2(CO)CCCC2)c1 ZINC000175999279 408263574 /nfs/dbraw/zinc/26/35/74/408263574.db2.gz DFXJXJZJOOXJNY-CYBMUJFWSA-N 1 0 310.350 1.229 20 5 DDBDRO CCc1n[nH]c(C(=O)NCC[NH+](C(C)C)C(C)C)c1[N+](=O)[O-] ZINC000263704979 408213078 /nfs/dbraw/zinc/21/30/78/408213078.db2.gz VDNIJPSEGXWOHO-UHFFFAOYSA-N 1 0 311.386 1.729 20 5 DDBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@@H](C[NH+](C)C)C1 ZINC000246470440 408265501 /nfs/dbraw/zinc/26/55/01/408265501.db2.gz ZQIUXTDLWMOCQC-OLZOCXBDSA-N 1 0 320.393 1.805 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000274202105 408323840 /nfs/dbraw/zinc/32/38/40/408323840.db2.gz UHEWCWQMPJTZKE-HNNXBMFYSA-N 1 0 323.324 1.325 20 5 DDBDRO O=C(NCCCC[N@H+]1CCC[C@H]1CO)c1cccc([N+](=O)[O-])c1 ZINC000269479663 408324541 /nfs/dbraw/zinc/32/45/41/408324541.db2.gz XXHRWAJPQIWJQR-HNNXBMFYSA-N 1 0 321.377 1.562 20 5 DDBDRO C[C@@H]1C[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1CO ZINC000190856466 408329898 /nfs/dbraw/zinc/32/98/98/408329898.db2.gz XSZMJBSKTGDBPE-PWSUYJOCSA-N 1 0 318.333 1.705 20 5 DDBDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2c([N+](=O)[O-])cnn2C)C1 ZINC000165302466 162159673 /nfs/dbraw/zinc/15/96/73/162159673.db2.gz QCKNEVVWNOROHP-LLVKDONJSA-N 1 0 309.370 1.179 20 5 DDBDRO C[N@H+](C[C@H]1CCOC1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000246892716 408360784 /nfs/dbraw/zinc/36/07/84/408360784.db2.gz FHUVDBOOGVKANM-DOMZBBRYSA-N 1 0 319.361 1.668 20 5 DDBDRO CCC[NH+]1CCC(CNC(=O)c2[nH]nc(CC)c2[N+](=O)[O-])CC1 ZINC000171680774 162235587 /nfs/dbraw/zinc/23/55/87/162235587.db2.gz SMNORIHGCPCXKC-UHFFFAOYSA-N 1 0 323.397 1.732 20 5 DDBDRO CCc1n[nH]c(C(=O)N2CCC([NH+]3CCCC3)CC2)c1[N+](=O)[O-] ZINC000171809681 162242681 /nfs/dbraw/zinc/24/26/81/162242681.db2.gz HMBVHIHORWIUKJ-UHFFFAOYSA-N 1 0 321.381 1.581 20 5 DDBDRO COc1cc(C(=O)N2CC[C@@H]([NH+](C)C)C2)cc([N+](=O)[O-])c1C ZINC000191183556 408383828 /nfs/dbraw/zinc/38/38/28/408383828.db2.gz DHIBKCBNWNOKMM-GFCCVEGCSA-N 1 0 307.350 1.688 20 5 DDBDRO COC[C@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000183485951 408425567 /nfs/dbraw/zinc/42/55/67/408425567.db2.gz NXTMXHZJXODITP-OLZOCXBDSA-N 1 0 310.350 1.349 20 5 DDBDRO C[C@H]1C[C@H](N(C)C(=O)Nc2ccncc2[N+](=O)[O-])CC[N@@H+]1C ZINC000183555122 408439540 /nfs/dbraw/zinc/43/95/40/408439540.db2.gz LKYWIPUPRNYJEG-WDEREUQCSA-N 1 0 307.354 1.936 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000247506090 408483229 /nfs/dbraw/zinc/48/32/29/408483229.db2.gz XZVMHIZQSMTWGO-YGRLFVJLSA-N 1 0 306.366 1.757 20 5 DDBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)CCn2cc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000247545939 408490785 /nfs/dbraw/zinc/49/07/85/408490785.db2.gz YIPSKNDDUFMRJG-JSGCOSHPSA-N 1 0 323.397 1.370 20 5 DDBDRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)/C=C/c3ccccc3[N+](=O)[O-])C[C@H]12 ZINC000248571118 408588803 /nfs/dbraw/zinc/58/88/03/408588803.db2.gz CQCCNRVJSGRSDT-MPKCRMRCSA-N 1 0 301.346 1.804 20 5 DDBDRO C[NH2+]C[C@@H]1CCCN1C(=O)CCn1nc(C)c([N+](=O)[O-])c1C ZINC000161380094 408597630 /nfs/dbraw/zinc/59/76/30/408597630.db2.gz BRDFFRWCHBSSQT-LBPRGKRZSA-N 1 0 309.370 1.009 20 5 DDBDRO Cc1nn(C)c(C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000265297301 408606440 /nfs/dbraw/zinc/60/64/40/408606440.db2.gz LNJCFHLJCWLTCP-LLVKDONJSA-N 1 0 309.370 1.051 20 5 DDBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000270748580 408663498 /nfs/dbraw/zinc/66/34/98/408663498.db2.gz IBOXBPLCIMFWFE-VXGBXAGGSA-N 1 0 323.397 1.426 20 5 DDBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000249256511 408707550 /nfs/dbraw/zinc/70/75/50/408707550.db2.gz HKTYHIWUIFHJQR-NHYWBVRUSA-N 1 0 318.377 1.733 20 5 DDBDRO O=C1CCCN1[C@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000270858201 408711539 /nfs/dbraw/zinc/71/15/39/408711539.db2.gz HTWVJMCUVITGLF-AWEZNQCLSA-N 1 0 319.361 1.670 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000193398601 408715950 /nfs/dbraw/zinc/71/59/50/408715950.db2.gz WVZPRUIPQATBIB-CABZTGNLSA-N 1 0 313.379 1.180 20 5 DDBDRO Cc1cc(C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c(N)c([N+](=O)[O-])c1 ZINC000184946669 408721724 /nfs/dbraw/zinc/72/17/24/408721724.db2.gz MMEPNFUTSRUTHG-WCQGTBRESA-N 1 0 304.350 1.295 20 5 DDBDRO C[N@H+]1C[C@H]2CN(Cc3cc([N+](=O)[O-])cc4c3OCOC4)C[C@H]2C1 ZINC000193627968 408733877 /nfs/dbraw/zinc/73/38/77/408733877.db2.gz MADVJPWIUYDZIO-OKILXGFUSA-N 1 0 319.361 1.455 20 5 DDBDRO CC(C)(C)[C@@H](CO)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000193111328 408697265 /nfs/dbraw/zinc/69/72/65/408697265.db2.gz HBYZYSOVDHQBFM-BXUZGUMPSA-N 1 0 312.366 1.331 20 5 DDBDRO C[NH+](C)CCc1ccccc1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000275859899 408698112 /nfs/dbraw/zinc/69/81/12/408698112.db2.gz LYTJVYSZIAMMAP-UHFFFAOYSA-N 1 0 303.322 1.674 20 5 DDBDRO Nc1c(C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000178182752 408784702 /nfs/dbraw/zinc/78/47/02/408784702.db2.gz XJJTULDYRIEDDT-GFCCVEGCSA-N 1 0 318.377 1.877 20 5 DDBDRO C[N@@H+]1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])C(C)(C)C1 ZINC000270949957 408756445 /nfs/dbraw/zinc/75/64/45/408756445.db2.gz LFTXFMIGGWFOTN-UHFFFAOYSA-N 1 0 306.366 1.559 20 5 DDBDRO C[C@H]1C[C@H](N2CCOCC2)C[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000285857033 408877525 /nfs/dbraw/zinc/87/75/25/408877525.db2.gz IJSILTPKOHRNOT-BBRMVZONSA-N 1 0 305.378 1.890 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCN(c2ccccc2)CC1 ZINC000169310998 408819976 /nfs/dbraw/zinc/81/99/76/408819976.db2.gz PBCMLQDYUPSAQK-UHFFFAOYSA-N 1 0 315.377 1.922 20 5 DDBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1[nH]nc(CC)c1[N+](=O)[O-] ZINC000290876225 408848780 /nfs/dbraw/zinc/84/87/80/408848780.db2.gz JIKXOYHHIUNNNK-JTQLQIEISA-N 1 0 311.386 1.731 20 5 DDBDRO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000285742691 408855087 /nfs/dbraw/zinc/85/50/87/408855087.db2.gz LBPORQYPDAGMDM-ZWNOBZJWSA-N 1 0 319.365 1.407 20 5 DDBDRO CC(=O)c1cc(NCCN2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000285960287 408896556 /nfs/dbraw/zinc/89/65/56/408896556.db2.gz ALRUFCMVVNYVBZ-UHFFFAOYSA-N 1 0 306.366 1.457 20 5 DDBDRO O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CC[NH+]2CCC1CC2 ZINC000188848876 163073168 /nfs/dbraw/zinc/07/31/68/163073168.db2.gz NEJMUGHLKRLLAZ-UHFFFAOYSA-N 1 0 319.317 1.244 20 5 DDBDRO Cc1ccc(S(=O)(=O)N[C@@H]2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000226461944 163336640 /nfs/dbraw/zinc/33/66/40/163336640.db2.gz GJNLEBOWVTUDCJ-LLVKDONJSA-N 1 0 313.379 1.324 20 5 DDBDRO [NH3+]CC[C@H]1CCCN(C(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000281987755 408966990 /nfs/dbraw/zinc/96/69/90/408966990.db2.gz PIKPUOZDZIXDIK-CYBMUJFWSA-N 1 0 321.377 1.951 20 5 DDBDRO C[C@@H](O)C[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000282094572 408989994 /nfs/dbraw/zinc/98/99/94/408989994.db2.gz OWOJEYKSQXETGV-NWDGAFQWSA-N 1 0 311.357 1.621 20 5 DDBDRO CCCN(CC[NH+]1CCCC1)C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000287390465 409029414 /nfs/dbraw/zinc/02/94/14/409029414.db2.gz OZRJMWMFRYDFNC-UHFFFAOYSA-N 1 0 323.397 1.516 20 5 DDBDRO COc1cc(C[NH2+]CC2([S@](C)=O)CC2)c([N+](=O)[O-])cc1O ZINC000282431187 409052410 /nfs/dbraw/zinc/05/24/10/409052410.db2.gz RHSUTEQXDDTVTF-NRFANRHFSA-N 1 0 314.363 1.310 20 5 DDBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000293521411 409130541 /nfs/dbraw/zinc/13/05/41/409130541.db2.gz UIWFATFESYZJPU-QWHCGFSZSA-N 1 0 318.377 1.607 20 5 DDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000293373625 409099914 /nfs/dbraw/zinc/09/99/14/409099914.db2.gz JIIXDRMVULFSSF-FRRDWIJNSA-N 1 0 320.393 1.946 20 5 DDBDRO O=c1cc(C[NH+]2C[C@@H](O)[C@H](O)C2)c2c(ccc3ccccc32)o1 ZINC000278954142 409120886 /nfs/dbraw/zinc/12/08/86/409120886.db2.gz ZAOXYUDFPXFJJS-HUUCEWRRSA-N 1 0 311.337 1.484 20 5 DDBDRO C[C@H](NC[C@H](O)C[NH+]1CCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293607209 409147070 /nfs/dbraw/zinc/14/70/70/409147070.db2.gz GIUCNAASJYYCCI-AAEUAGOBSA-N 1 0 308.382 1.284 20 5 DDBDRO COC[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)[C@@H]1CCCO1 ZINC000279112016 409150604 /nfs/dbraw/zinc/15/06/04/409150604.db2.gz SPXAXMGJOXVLEO-ZFWWWQNUSA-N 1 0 310.350 1.887 20 5 DDBDRO O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000290224198 409327042 /nfs/dbraw/zinc/32/70/42/409327042.db2.gz UBNOSHUXSVWCQH-BEVHLOIGSA-N 1 0 301.346 1.676 20 5 DDBDRO C[C@@H]([N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-])C(C)(C)O ZINC000295223021 409382957 /nfs/dbraw/zinc/38/29/57/409382957.db2.gz VVKRZAWYDIXMDI-VXGBXAGGSA-N 1 0 312.366 1.426 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC000322339192 164046723 /nfs/dbraw/zinc/04/67/23/164046723.db2.gz BPZNZCQJDOXCJM-MNOVXSKESA-N 1 0 320.349 1.815 20 5 DDBDRO COC[C@H](C)C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000187355043 306718995 /nfs/dbraw/zinc/71/89/95/306718995.db2.gz HYHRBCGVUXCJFT-CYBMUJFWSA-N 1 0 321.377 1.635 20 5 DDBDRO CC(C)(C)[NH+]1CCC(Nc2nccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000290688074 409488048 /nfs/dbraw/zinc/48/80/48/409488048.db2.gz UBIXHEWPBGACEJ-UHFFFAOYSA-N 1 0 321.381 1.764 20 5 DDBDRO CCN(C)C(=O)[C@@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000296451085 409561690 /nfs/dbraw/zinc/56/16/90/409561690.db2.gz WNRMNDLJBUKSPA-CABCVRRESA-N 1 0 323.393 1.721 20 5 DDBDRO C[NH+](C)C1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000303109778 409536580 /nfs/dbraw/zinc/53/65/80/409536580.db2.gz KJMLMNQHSMBJAX-OAHLLOKOSA-N 1 0 323.393 1.361 20 5 DDBDRO CCc1ccc(C[N@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000304371958 409617460 /nfs/dbraw/zinc/61/74/60/409617460.db2.gz WICHQQOBOBVPNV-MRXNPFEDSA-N 1 0 318.377 1.847 20 5 DDBDRO C[C@H]([NH2+]CC(=O)N1C[C@@H](C)O[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000296536675 409604955 /nfs/dbraw/zinc/60/49/55/409604955.db2.gz DQKPUIVHKRCHSJ-XQQFMLRXSA-N 1 0 321.377 1.881 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@H]2c2ccccc2)c1 ZINC000304339050 409609085 /nfs/dbraw/zinc/60/90/85/409609085.db2.gz PGALAKOWPHARFT-CVEARBPZSA-N 1 0 316.361 1.989 20 5 DDBDRO C[C@@H]([NH2+][C@@H]1CCCN(CCCO)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000297172775 409839830 /nfs/dbraw/zinc/83/98/30/409839830.db2.gz DNRDIGLUKMMXKM-TZMCWYRMSA-N 1 0 322.409 1.674 20 5 DDBDRO [NH3+][C@@H]1CCCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000346102371 409783365 /nfs/dbraw/zinc/78/33/65/409783365.db2.gz VDEHCJZJABVTES-SNVBAGLBSA-N 1 0 312.757 1.610 20 5 DDBDRO Cc1nccn1CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000342673028 409800262 /nfs/dbraw/zinc/80/02/62/409800262.db2.gz VJUYQQRGMUYOCQ-UHFFFAOYSA-N 1 0 300.274 1.396 20 5 DDBDRO COCC[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000342695699 409820773 /nfs/dbraw/zinc/82/07/73/409820773.db2.gz PTEULVODKBKSNJ-ZDUSSCGKSA-N 1 0 310.350 1.445 20 5 DDBDRO CCc1ccc(C(=O)NC[C@]2(COC)CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000357298301 409963367 /nfs/dbraw/zinc/96/33/67/409963367.db2.gz ZNJZGLNSFKKEDD-INIZCTEOSA-N 1 0 321.377 1.656 20 5 DDBDRO CCC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC[N@@H+]1CCOC ZINC000346560369 410017011 /nfs/dbraw/zinc/01/70/11/410017011.db2.gz BBGQMSJMAUJAKR-GFCCVEGCSA-N 1 0 324.381 1.496 20 5 DDBDRO COc1cc(CN2CCC[N@@H+]([C@H](C)CO)CC2)ccc1[N+](=O)[O-] ZINC000346631768 410047063 /nfs/dbraw/zinc/04/70/63/410047063.db2.gz DGLFEQCGJFKVHB-CYBMUJFWSA-N 1 0 323.393 1.492 20 5 DDBDRO O=[N+]([O-])c1ccn(Cc2nc(-c3ccn4c[nH+]cc4c3)no2)n1 ZINC000351073419 410029666 /nfs/dbraw/zinc/02/96/66/410029666.db2.gz GBDSRBFFSDJYHG-UHFFFAOYSA-N 1 0 311.261 1.537 20 5 DDBDRO C[C@@H](CO)[N@@H+]1CCCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000346654075 410058345 /nfs/dbraw/zinc/05/83/45/410058345.db2.gz RFIDNXQITWUKML-LBPRGKRZSA-N 1 0 311.357 1.622 20 5 DDBDRO C[C@H]1CCCC[N@@H+]1CCCNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000298288927 410168019 /nfs/dbraw/zinc/16/80/19/410168019.db2.gz IFPWOMWYPSKKFA-NSHDSACASA-N 1 0 321.381 1.765 20 5 DDBDRO C[C@H]1CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H](C)[NH+]1C ZINC000339621172 410338847 /nfs/dbraw/zinc/33/88/47/410338847.db2.gz GERMDTZPVSWVJV-STQMWFEESA-N 1 0 320.393 1.948 20 5 DDBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000351858605 410297161 /nfs/dbraw/zinc/29/71/61/410297161.db2.gz BDDYDUFPIKHDRH-QJPTWQEYSA-N 1 0 306.366 1.591 20 5 DDBDRO C[C@H](CNc1ncc([N+](=O)[O-])cc1C(N)=O)[N@@H+]1CCC[C@@H](C)C1 ZINC000298755312 410384071 /nfs/dbraw/zinc/38/40/71/410384071.db2.gz YACISCNPJBTAGD-GHMZBOCLSA-N 1 0 321.381 1.621 20 5 DDBDRO O=C1[C@H]([N@@H+]2CCC[C@@H](O)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000339782703 410458242 /nfs/dbraw/zinc/45/82/42/410458242.db2.gz HESNXNCXLGUGCK-HUUCEWRRSA-N 1 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C[C@@H](C[NH3+])NC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000347652004 410650996 /nfs/dbraw/zinc/65/09/96/410650996.db2.gz BGEWGCQYXFAYSH-RYUDHWBXSA-N 1 0 320.393 1.908 20 5 DDBDRO CCOc1cc(N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000301507762 410732805 /nfs/dbraw/zinc/73/28/05/410732805.db2.gz HMLKTWVJQWVXJL-STQMWFEESA-N 1 0 323.393 1.885 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC[C@H]2Cc2ccccc2)c1 ZINC000353040145 410753982 /nfs/dbraw/zinc/75/39/82/410753982.db2.gz NIBAZDMKTGMDLQ-HOCLYGCPSA-N 1 0 316.361 1.469 20 5 DDBDRO Cc1nc(N2CCC[C@H]2C[N@@H+]2CCC[C@H]2CO)ccc1[N+](=O)[O-] ZINC000301662799 410767280 /nfs/dbraw/zinc/76/72/80/410767280.db2.gz NDSWHYVPUMRNEH-KBPBESRZSA-N 1 0 320.393 1.724 20 5 DDBDRO C[C@@H]1CN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C[N@@H+]1C ZINC000330586575 410801897 /nfs/dbraw/zinc/80/18/97/410801897.db2.gz LSOFUORHDRJYCT-OLZOCXBDSA-N 1 0 320.393 1.582 20 5 DDBDRO COc1cc(C(=O)N(C)[C@H]2C[NH+]3CCC2CC3)ccc1[N+](=O)[O-] ZINC000347960374 410814734 /nfs/dbraw/zinc/81/47/34/410814734.db2.gz XIMXYCSZNQZIBV-AWEZNQCLSA-N 1 0 319.361 1.770 20 5 DDBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000330677528 410868930 /nfs/dbraw/zinc/86/89/30/410868930.db2.gz VHTBYMGFWJXNDD-NSHDSACASA-N 1 0 309.370 1.241 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[N@@H+](C)C[C@H]1C ZINC000330680325 410872675 /nfs/dbraw/zinc/87/26/75/410872675.db2.gz YLXIWHRSGMWGIC-CYBMUJFWSA-N 1 0 320.393 1.868 20 5 DDBDRO COc1cc(CN[C@H]2CC[N@H+](C)[C@@H](C)C2)c([N+](=O)[O-])cc1O ZINC000330679903 410874105 /nfs/dbraw/zinc/87/41/05/410874105.db2.gz YESWMKLXPYYBOU-JQWIXIFHSA-N 1 0 309.366 1.881 20 5 DDBDRO Cc1nn(CCC(=O)N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000330605531 410820888 /nfs/dbraw/zinc/82/08/88/410820888.db2.gz ZDVYNUWHKZJQQQ-MNOVXSKESA-N 1 0 323.397 1.349 20 5 DDBDRO CC(=O)NC1CCC([N@H+](C)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000344083338 410943418 /nfs/dbraw/zinc/94/34/18/410943418.db2.gz DZQHMQWWCKNKQO-UHFFFAOYSA-N 1 0 309.370 1.170 20 5 DDBDRO COc1ccc(C[NH2+][C@H](CO)C2CCOCC2)cc1[N+](=O)[O-] ZINC000359861021 410919893 /nfs/dbraw/zinc/91/98/93/410919893.db2.gz NFXAFKGTQKHZOL-CYBMUJFWSA-N 1 0 310.350 1.481 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)[C@H](C[NH3+])C1CC1 ZINC000359997288 410988902 /nfs/dbraw/zinc/98/89/02/410988902.db2.gz ACKNSHREPVCQND-OAHLLOKOSA-N 1 0 320.393 1.901 20 5 DDBDRO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000348522944 410998127 /nfs/dbraw/zinc/99/81/27/410998127.db2.gz AQSBBLMXRRVNSX-VXGBXAGGSA-N 1 0 307.350 1.559 20 5 DDBDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)c1cc([N+](=O)[O-])nn1C ZINC000356472353 411047296 /nfs/dbraw/zinc/04/72/96/411047296.db2.gz ZQFJVRPMILOPNV-PHIMTYICSA-N 1 0 309.370 1.321 20 5 DDBDRO C[C@H](Cn1ccnc1)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000580064272 422882225 /nfs/dbraw/zinc/88/22/25/422882225.db2.gz SXJJYZXILAYEOY-TZMCWYRMSA-N 1 0 320.349 1.209 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@H](CCO)c1ccccc1 ZINC000271641328 209084825 /nfs/dbraw/zinc/08/48/25/209084825.db2.gz HGSIWNYOIHMVID-OAHLLOKOSA-N 1 0 317.345 1.470 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000417171598 225230754 /nfs/dbraw/zinc/23/07/54/225230754.db2.gz DSPNBGCUXQJFHV-LLVKDONJSA-N 1 0 308.338 1.155 20 5 DDBDRO COc1ccc(CNC(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)cc1[N+](=O)[O-] ZINC000417203758 225243351 /nfs/dbraw/zinc/24/33/51/225243351.db2.gz ZBYBUSMGDFRMJV-ZYHUDNBSSA-N 1 0 322.365 1.482 20 5 DDBDRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1CCOc1ccccc1[N+](=O)[O-] ZINC000419334999 226122059 /nfs/dbraw/zinc/12/20/59/226122059.db2.gz VYAZMLAXPPUEJS-UONOGXRCSA-N 1 0 323.393 1.361 20 5 DDBDRO [NH3+]C[C@@H]1CCCN(C(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000297363203 227066861 /nfs/dbraw/zinc/06/68/61/227066861.db2.gz KSWYOYBLCLYPET-LBPRGKRZSA-N 1 0 306.366 1.594 20 5 DDBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H]2C(=O)NC(=O)[C@H]2C1 ZINC000366332974 418459590 /nfs/dbraw/zinc/45/95/90/418459590.db2.gz PNBADEOIFUWTCF-USWWRNFRSA-N 1 0 303.318 1.250 20 5 DDBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H](C)N1CC[NH+](C)CC1 ZINC000192558999 418523935 /nfs/dbraw/zinc/52/39/35/418523935.db2.gz LXOODQVLEFFSMJ-LLVKDONJSA-N 1 0 310.402 1.167 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)NCC[N@H+](C)C2CCCC2)n1 ZINC000191804250 222109431 /nfs/dbraw/zinc/10/94/31/222109431.db2.gz YDFIXTJISBZDLB-UHFFFAOYSA-N 1 0 309.370 1.415 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](C[NH+](CC)CC)C2)n1 ZINC000191830001 222109891 /nfs/dbraw/zinc/10/98/91/222109891.db2.gz DCGKLFVJWXCTFO-GFCCVEGCSA-N 1 0 323.397 1.615 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CCN(CC(=O)Nc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000375031283 418592420 /nfs/dbraw/zinc/59/24/20/418592420.db2.gz NPCGQTGCLAWNHP-DOMZBBRYSA-N 1 0 318.377 1.559 20 5 DDBDRO O=C(c1ccc([N+](=O)[O-])o1)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000361199466 418604482 /nfs/dbraw/zinc/60/44/82/418604482.db2.gz DUQVIHZZTVSCAF-SRVKXCTJSA-N 1 0 305.334 1.744 20 5 DDBDRO O=C1NCCN1[C@@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000361308679 418622158 /nfs/dbraw/zinc/62/21/58/418622158.db2.gz DYLLQWYWBLULBO-OAHLLOKOSA-N 1 0 318.377 1.627 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@H]2CCCCC2(F)F)c1 ZINC000390977500 418756204 /nfs/dbraw/zinc/75/62/04/418756204.db2.gz UIKGHHUGILKZFO-PWSUYJOCSA-N 1 0 318.324 1.567 20 5 DDBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@H](C1CC1)[C@@H]1CNCCO1 ZINC000422786654 227178154 /nfs/dbraw/zinc/17/81/54/227178154.db2.gz LBZGHCQZSDQBGL-JKSUJKDBSA-N 1 0 305.378 1.494 20 5 DDBDRO COc1cc(C(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)cc([N+](=O)[O-])c1C ZINC000422843664 227214151 /nfs/dbraw/zinc/21/41/51/227214151.db2.gz JDOWVIMNBPWJBF-JOYOIKCWSA-N 1 0 307.350 1.721 20 5 DDBDRO COc1ccc(CC(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)cc1[N+](=O)[O-] ZINC000571873951 304492032 /nfs/dbraw/zinc/49/20/32/304492032.db2.gz KVPMYNIBLQEXGA-QWRGUYRKSA-N 1 0 307.350 1.355 20 5 DDBDRO O=C(NC1CC([NH+]2CCCCC2)C1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000365432722 418859820 /nfs/dbraw/zinc/85/98/20/418859820.db2.gz USVZUVUYERKSPK-UHFFFAOYSA-N 1 0 320.349 1.442 20 5 DDBDRO NC(=O)c1ccc(C[N@@H+]2CC[C@](O)(C3CC3)C2)c([N+](=O)[O-])c1 ZINC000373239741 418933467 /nfs/dbraw/zinc/93/34/67/418933467.db2.gz BAAKPOKEWARYLZ-OAHLLOKOSA-N 1 0 305.334 1.041 20 5 DDBDRO Cn1cc([C@@H]2CN(CCc3ccc([N+](=O)[O-])cc3)C[C@H]2[NH3+])cn1 ZINC000424303490 228256026 /nfs/dbraw/zinc/25/60/26/228256026.db2.gz ZWNNRWMOXWDZEI-JKSUJKDBSA-N 1 0 315.377 1.298 20 5 DDBDRO [NH3+]C1(c2noc(Cn3cc([N+](=O)[O-])ccc3=O)n2)CCCCC1 ZINC000424338566 228259546 /nfs/dbraw/zinc/25/95/46/228259546.db2.gz AQIZBUROSMYKKQ-UHFFFAOYSA-N 1 0 319.321 1.306 20 5 DDBDRO Cc1ccc([C@H](C)NC(=O)N2CC[NH2+][C@H](C)C2)cc1[N+](=O)[O-] ZINC000417859245 419357189 /nfs/dbraw/zinc/35/71/89/419357189.db2.gz VWZLUAYZPUEGOR-NEPJUHHUSA-N 1 0 306.366 1.968 20 5 DDBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000417931707 419396121 /nfs/dbraw/zinc/39/61/21/419396121.db2.gz CEHLUWWOVIGDOS-KBPBESRZSA-N 1 0 318.377 1.388 20 5 DDBDRO COC(=O)[C@@H]1CN([C@H](C)c2ccccc2[N+](=O)[O-])CC[N@H+](C)C1 ZINC000411912324 419476055 /nfs/dbraw/zinc/47/60/55/419476055.db2.gz VGKZXMDOVOWJLI-OLZOCXBDSA-N 1 0 321.377 1.692 20 5 DDBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@H](CO)[C@H]2CCCOC2)cc1 ZINC000411997317 419551624 /nfs/dbraw/zinc/55/16/24/419551624.db2.gz UIQMMEHJJDYPAU-SWLSCSKDSA-N 1 0 310.350 1.351 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[NH2+]C2(CO)C3CC4CC(C3)CC2C4)c1 ZINC000412003063 419556154 /nfs/dbraw/zinc/55/61/54/419556154.db2.gz OKFKNKGZPVQWCL-UHFFFAOYSA-N 1 0 320.393 1.568 20 5 DDBDRO Cc1c(CNC(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000418077934 419512297 /nfs/dbraw/zinc/51/22/97/419512297.db2.gz IRJWUUFPGVUJRA-KBPBESRZSA-N 1 0 318.377 1.654 20 5 DDBDRO [NH3+]C[C@@H]1CCCCN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000430600212 228933032 /nfs/dbraw/zinc/93/30/32/228933032.db2.gz AWMUVZQSIZACGR-ZDUSSCGKSA-N 1 0 317.349 1.958 20 5 DDBDRO CC[NH2+]CCNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000414961799 419897489 /nfs/dbraw/zinc/89/74/89/419897489.db2.gz ZDUVAKRNMNCQPT-UHFFFAOYSA-N 1 0 318.280 1.927 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000434444369 229297471 /nfs/dbraw/zinc/29/74/71/229297471.db2.gz BZTWYNXXCIRIPR-LLVKDONJSA-N 1 0 307.354 1.075 20 5 DDBDRO COC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1)[C@H]1CCCO1 ZINC000434789237 229332753 /nfs/dbraw/zinc/33/27/53/229332753.db2.gz XAPVGKXRMKZGAW-GXTWGEPZSA-N 1 0 310.350 1.887 20 5 DDBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@@H](C1CC1)[C@H]1CNCCO1 ZINC000422786648 419966721 /nfs/dbraw/zinc/96/67/21/419966721.db2.gz LBZGHCQZSDQBGL-CVEARBPZSA-N 1 0 305.378 1.494 20 5 DDBDRO COCCNCC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000423325518 420013575 /nfs/dbraw/zinc/01/35/75/420013575.db2.gz IWSCJUDQULLFTD-CHWSQXEVSA-N 1 0 311.386 1.101 20 5 DDBDRO [NH3+]CCCN(CC1CCCC1)C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000415387036 420044448 /nfs/dbraw/zinc/04/44/48/420044448.db2.gz QCFUNLJVFPPJNZ-UHFFFAOYSA-N 1 0 321.381 1.785 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N(C)[C@@H](C[NH3+])C1CC1 ZINC000415507795 420094789 /nfs/dbraw/zinc/09/47/89/420094789.db2.gz UEKWPSXDXITWAV-LBPRGKRZSA-N 1 0 308.338 1.804 20 5 DDBDRO COc1cc(C(=O)N2CC[NH2+][C@@H](C)[C@@H]2C)cc([N+](=O)[O-])c1C ZINC000423606361 420096252 /nfs/dbraw/zinc/09/62/52/420096252.db2.gz KCVYIMWSWXVXJH-QWRGUYRKSA-N 1 0 307.350 1.734 20 5 DDBDRO O=C(CC[C@@H]1CCC[NH2+]1)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000423720004 420140741 /nfs/dbraw/zinc/14/07/41/420140741.db2.gz GKRSAEAATYRUJD-VIFPVBQESA-N 1 0 303.322 1.942 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000415484040 420086185 /nfs/dbraw/zinc/08/61/85/420086185.db2.gz NOSLXDLLRRKZHA-GFCCVEGCSA-N 1 0 322.365 1.793 20 5 DDBDRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000415501829 420091331 /nfs/dbraw/zinc/09/13/31/420091331.db2.gz UXIFOADATXCZAQ-LLVKDONJSA-N 1 0 320.349 1.052 20 5 DDBDRO COC(=O)c1cc(C(=O)N[C@H]2CCC[NH2+][C@@H]2C)cc([N+](=O)[O-])c1 ZINC000423593076 420091715 /nfs/dbraw/zinc/09/17/15/420091715.db2.gz FQDMFXKAQNFTIS-RNCFNFMXSA-N 1 0 321.333 1.252 20 5 DDBDRO Cc1cc(OCC(=O)N[C@H]2CCC[N@H+](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000430787130 420190074 /nfs/dbraw/zinc/19/00/74/420190074.db2.gz FFLGINURLBHFHV-JSGCOSHPSA-N 1 0 321.377 1.881 20 5 DDBDRO C[NH2+]CC1CCN(CC(=O)Nc2c(C)cccc2[N+](=O)[O-])CC1 ZINC000430926480 420209460 /nfs/dbraw/zinc/20/94/60/420209460.db2.gz GRFUQVBXOJYWGF-UHFFFAOYSA-N 1 0 320.393 1.773 20 5 DDBDRO C[C@@H]1CN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC[C@@H]1[NH3+] ZINC000430929733 420210884 /nfs/dbraw/zinc/21/08/84/420210884.db2.gz QAGWQESPYJLSLP-RISCZKNCSA-N 1 0 306.366 1.227 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC[C@H](C)[C@H]1C[NH3+] ZINC000430590734 420148175 /nfs/dbraw/zinc/14/81/75/420148175.db2.gz LWJLZORFQVYOLF-SWLSCSKDSA-N 1 0 320.393 1.901 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C)C1CC[NH2+]CC1 ZINC000430625535 420162064 /nfs/dbraw/zinc/16/20/64/420162064.db2.gz JUVWJLPMVNIZGC-UHFFFAOYSA-N 1 0 306.366 1.526 20 5 DDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@H](C[NH3+])C1 ZINC000430632663 420165216 /nfs/dbraw/zinc/16/52/16/420165216.db2.gz YYPGQPPJNQPLNU-VXGBXAGGSA-N 1 0 306.366 1.593 20 5 DDBDRO CN1CC[NH2+]C[C@@H]1CNc1nccc2c1cccc2[N+](=O)[O-] ZINC000420272760 420177313 /nfs/dbraw/zinc/17/73/13/420177313.db2.gz LPTJJWUABHOTSC-LLVKDONJSA-N 1 0 301.350 1.459 20 5 DDBDRO C[C@H]1CN(c2ccnc3c2cccc3[N+](=O)[O-])CC[N@@H+]1CCO ZINC000432169838 420241234 /nfs/dbraw/zinc/24/12/34/420241234.db2.gz NEYZOLLTTSKBTA-LBPRGKRZSA-N 1 0 316.361 1.646 20 5 DDBDRO [NH3+]CCC[C@@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000423970444 420287342 /nfs/dbraw/zinc/28/73/42/420287342.db2.gz MYKIFOAFHQXSIU-CQSZACIVSA-N 1 0 317.349 1.388 20 5 DDBDRO Cc1c(NC(=O)CCN2CC[NH2+][C@H](C)C2)cccc1[N+](=O)[O-] ZINC000420337520 420218626 /nfs/dbraw/zinc/21/86/26/420218626.db2.gz NRJCYTPLFYALBZ-LLVKDONJSA-N 1 0 306.366 1.526 20 5 DDBDRO C[N@@H+]1C[C@@H]2CCCN(c3nc4sccn4c3[N+](=O)[O-])[C@@H]2C1 ZINC000425286172 420339913 /nfs/dbraw/zinc/33/99/13/420339913.db2.gz QDHZZKLLSJPSGK-VHSXEESVSA-N 1 0 307.379 1.834 20 5 DDBDRO COc1cc(NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)ccc1[N+](=O)[O-] ZINC000450793494 420531242 /nfs/dbraw/zinc/53/12/42/420531242.db2.gz PRLHNUPDSIVXMO-BETUJISGSA-N 1 0 307.350 1.879 20 5 DDBDRO Cc1c(NC(=O)[C@H](C)N2C[C@@H](C[NH3+])C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000442792760 420715559 /nfs/dbraw/zinc/71/55/59/420715559.db2.gz QWGUKDPEHZIYHJ-WCFLWFBJSA-N 1 0 320.393 1.899 20 5 DDBDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000447813630 420804790 /nfs/dbraw/zinc/80/47/90/420804790.db2.gz STZFBLNPCRTPTP-LLVKDONJSA-N 1 0 318.381 2.170 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)NCCc3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000454736257 420918067 /nfs/dbraw/zinc/91/80/67/420918067.db2.gz YVWSOVVTRNPEPL-HIFRSBDPSA-N 1 0 318.377 1.483 20 5 DDBDRO O=C(/C=C/c1ccccc1[N+](=O)[O-])N[C@H]1C[NH2+]CCC1(F)F ZINC000493447395 420852908 /nfs/dbraw/zinc/85/29/08/420852908.db2.gz GJUJRMDRXBGXKC-FYJFLYSWSA-N 1 0 311.288 1.721 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC(=O)NCC(F)(F)F ZINC000449107260 420949474 /nfs/dbraw/zinc/94/94/74/420949474.db2.gz LZBWUPLFLNQIKC-SECBINFHSA-N 1 0 319.283 1.794 20 5 DDBDRO O=C(Cc1ccccc1[N+](=O)[O-])N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000449200094 420968133 /nfs/dbraw/zinc/96/81/33/420968133.db2.gz GTINYWKYDYISQK-HUUCEWRRSA-N 1 0 317.389 1.985 20 5 DDBDRO CNc1nc(C(=O)NC[C@H](C)C[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000454864571 420934363 /nfs/dbraw/zinc/93/43/63/420934363.db2.gz UHPLPRCWWVEQKF-NSHDSACASA-N 1 0 321.381 1.493 20 5 DDBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@H](C)[NH3+])cc1SC ZINC000449594278 421034168 /nfs/dbraw/zinc/03/41/68/421034168.db2.gz XUSTVXAYUMXRQI-JGVFFNPUSA-N 1 0 313.379 1.791 20 5 DDBDRO [NH3+][C@H]1CCC[C@H](CNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000449635814 421041055 /nfs/dbraw/zinc/04/10/55/421041055.db2.gz CHSPHBDNIFPSKI-UWVGGRQHSA-N 1 0 317.349 1.718 20 5 DDBDRO C[C@H]1COCCN1CCNc1nccc2cc([N+](=O)[O-])ccc21 ZINC000450310924 421180635 /nfs/dbraw/zinc/18/06/35/421180635.db2.gz CBZRTBADRNLGMI-LBPRGKRZSA-N 1 0 316.361 2.276 20 5 DDBDRO C[N@@H+]1CC[C@@H](Cn2nnnc2Sc2ccc([N+](=O)[O-])nc2)C1 ZINC000450397908 421192946 /nfs/dbraw/zinc/19/29/46/421192946.db2.gz WMGXQDTZXMMBIP-SECBINFHSA-N 1 0 321.366 1.079 20 5 DDBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CC([NH+](C)C)C1 ZINC000450404666 421193922 /nfs/dbraw/zinc/19/39/22/421193922.db2.gz CSOOYSBPLRKTJO-UHFFFAOYSA-N 1 0 302.334 1.902 20 5 DDBDRO C[C@@H](C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)S(C)(=O)=O ZINC000560002325 421232740 /nfs/dbraw/zinc/23/27/40/421232740.db2.gz CLGXWSIKABQEAG-IINYFYTJSA-N 1 0 312.391 1.995 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000525683825 421295527 /nfs/dbraw/zinc/29/55/27/421295527.db2.gz CKJWUXDEPOMXFQ-CYBMUJFWSA-N 1 0 320.393 1.881 20 5 DDBDRO Nc1nccc(C(=O)NCCCCC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000514826263 421456928 /nfs/dbraw/zinc/45/69/28/421456928.db2.gz HVUPSGRCJVKDEN-UHFFFAOYSA-N 1 0 321.381 1.568 20 5 DDBDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000548731891 421467987 /nfs/dbraw/zinc/46/79/87/421467987.db2.gz LJQDKYVLLDTDRJ-CYBMUJFWSA-N 1 0 306.366 1.840 20 5 DDBDRO C[C@H](CCCO)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000564500260 421590331 /nfs/dbraw/zinc/59/03/31/421590331.db2.gz ZGAPFUKTSFSKPX-LLVKDONJSA-N 1 0 316.379 1.119 20 5 DDBDRO NC(=O)c1ccc(C[N@@H+]2CCCC[C@H]2C2(O)CC2)c([N+](=O)[O-])c1 ZINC000516157681 421531464 /nfs/dbraw/zinc/53/14/64/421531464.db2.gz RZKHWDOEDKQMDT-AWEZNQCLSA-N 1 0 319.361 1.573 20 5 DDBDRO COc1ccc(NC(=O)N2CCC[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000516259458 421537008 /nfs/dbraw/zinc/53/70/08/421537008.db2.gz SWXATRAKZWCLQE-SNVBAGLBSA-N 1 0 308.338 1.806 20 5 DDBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[N@H+](C)C(C)(C)C1 ZINC000556084579 421699959 /nfs/dbraw/zinc/69/99/59/421699959.db2.gz GIGQFUGPQATWFN-GFCCVEGCSA-N 1 0 320.393 1.948 20 5 DDBDRO C[C@@H]1CC[N@H+](CC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1 ZINC000572177867 421767150 /nfs/dbraw/zinc/76/71/50/421767150.db2.gz DNQIOUFHBYIYMC-GFCCVEGCSA-N 1 0 321.381 1.297 20 5 DDBDRO CN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@H]1CC[NH2+]C1 ZINC000521045612 421771380 /nfs/dbraw/zinc/77/13/80/421771380.db2.gz YZEOZBRFIDCJRF-LBPRGKRZSA-N 1 0 303.322 1.439 20 5 DDBDRO CC[NH+](CC)[C@H]1CCN(C(=O)c2ccnc(NC)c2[N+](=O)[O-])C1 ZINC000557635474 421782335 /nfs/dbraw/zinc/78/23/35/421782335.db2.gz JYQZLNDZVFSZRH-NSHDSACASA-N 1 0 321.381 1.588 20 5 DDBDRO CC[C@H](C)[C@@H](O)C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000580892195 421859119 /nfs/dbraw/zinc/85/91/19/421859119.db2.gz AIKIIQWBDVFKLX-LNSITVRQSA-N 1 0 312.366 1.331 20 5 DDBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@H]1CCC[NH2+]C1 ZINC000423193937 533685395 /nfs/dbraw/zinc/68/53/95/533685395.db2.gz RCQRFWBUISWOOY-YPMHNXCESA-N 1 0 306.366 1.654 20 5 DDBDRO C[C@H]([NH3+])C1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000581824764 422046760 /nfs/dbraw/zinc/04/67/60/422046760.db2.gz YIJUFMFBNIHLLG-VIFPVBQESA-N 1 0 321.333 1.523 20 5 DDBDRO CC(C)Oc1nc(N[C@H](C)[C@@H]2CN(C)CCO2)ccc1[N+](=O)[O-] ZINC000594565854 422350366 /nfs/dbraw/zinc/35/03/66/422350366.db2.gz ISIVTQRRTQGGBC-YPMHNXCESA-N 1 0 324.381 1.908 20 5 DDBDRO CC(C)[NH2+]CC(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000595923640 422359519 /nfs/dbraw/zinc/35/95/19/422359519.db2.gz AJUPDQLSJDZIAE-UHFFFAOYSA-N 1 0 303.322 1.921 20 5 DDBDRO COC(=O)c1ccnc(NCCC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000598588848 422397942 /nfs/dbraw/zinc/39/79/42/422397942.db2.gz LTDQBPBWUKICRV-UHFFFAOYSA-N 1 0 308.338 1.674 20 5 DDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000578192352 422519274 /nfs/dbraw/zinc/51/92/74/422519274.db2.gz NJTRBOHMMLXOOS-ZJUUUORDSA-N 1 0 322.365 1.338 20 5 DDBDRO CN(CC[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000578759220 422641435 /nfs/dbraw/zinc/64/14/35/422641435.db2.gz YENMQKZKVVJZBM-CYBMUJFWSA-N 1 0 309.366 1.018 20 5 DDBDRO C[C@H](NC(=O)NC[C@](C)(O)C[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000122612454 263340021 /nfs/dbraw/zinc/34/00/21/263340021.db2.gz DRIIMBLPBCGFDU-NHYWBVRUSA-N 1 0 324.381 1.268 20 5 DDBDRO CNc1ccc(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000314828408 271013054 /nfs/dbraw/zinc/01/30/54/271013054.db2.gz FPZUMGHRGAJKMC-GFCCVEGCSA-N 1 0 306.366 1.803 20 5 DDBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@H]1CCCS(=O)(=O)C1 ZINC000344547059 272056583 /nfs/dbraw/zinc/05/65/83/272056583.db2.gz ZPSLOIMMJBDATF-YIALFULDSA-N 1 0 310.375 1.775 20 5 DDBDRO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC[N@@H+](C2CCC2)C1 ZINC000344730679 272103900 /nfs/dbraw/zinc/10/39/00/272103900.db2.gz PHXNXZCKVRYQAQ-NSHDSACASA-N 1 0 306.366 1.869 20 5 DDBDRO CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])o3)C2)CC1 ZINC000106806591 273663650 /nfs/dbraw/zinc/66/36/50/273663650.db2.gz XPYPFCBDXZGZGA-GFCCVEGCSA-N 1 0 322.365 1.040 20 5 DDBDRO COCC[N@@H+]1CCCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000269378641 274027180 /nfs/dbraw/zinc/02/71/80/274027180.db2.gz OKTMFGOGASZULO-UHFFFAOYSA-N 1 0 314.773 1.802 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC[N@@H+](CCO)CC2)c2ncccc12 ZINC000171506901 275036096 /nfs/dbraw/zinc/03/60/96/275036096.db2.gz WHCSZZVSFDBBEM-UHFFFAOYSA-N 1 0 316.361 1.647 20 5 DDBDRO CC(C)(C(=O)N[C@H](C[NH3+])C1CCCC1)n1cc([N+](=O)[O-])cn1 ZINC000423967995 275508573 /nfs/dbraw/zinc/50/85/73/275508573.db2.gz UENQUQWXRWVSIW-GFCCVEGCSA-N 1 0 309.370 1.160 20 5 DDBDRO CC(C)[C@H](C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1)[C@H](C)[NH3+] ZINC000423833017 275694296 /nfs/dbraw/zinc/69/42/96/275694296.db2.gz ZJDBCFZFCDUPIE-HZMBPMFUSA-N 1 0 306.366 1.494 20 5 DDBDRO CCS(=O)(=O)NCC[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429278135 276392333 /nfs/dbraw/zinc/39/23/33/276392333.db2.gz XKDHGSPXWBBHBN-UHFFFAOYSA-N 1 0 315.395 1.359 20 5 DDBDRO C[NH+](C)C[C@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000268810117 276802926 /nfs/dbraw/zinc/80/29/26/276802926.db2.gz RAPYRJTZRAMIFW-GFCCVEGCSA-N 1 0 313.379 1.310 20 5 DDBDRO C[N@@H+]1CCCC[C@H]1CN1CCN(c2ccncc2[N+](=O)[O-])CC1 ZINC000337313357 277047080 /nfs/dbraw/zinc/04/70/80/277047080.db2.gz ADTGSDZSFSXCSZ-AWEZNQCLSA-N 1 0 319.409 1.596 20 5 DDBDRO C[C@H]1CCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000261731404 278357860 /nfs/dbraw/zinc/35/78/60/278357860.db2.gz HRJJGYYRORBMSB-QWHCGFSZSA-N 1 0 320.393 1.617 20 5 DDBDRO CC[N@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])[C@H]1CCNC1=O ZINC000282503887 279210884 /nfs/dbraw/zinc/21/08/84/279210884.db2.gz WXVLABGVGAVXFS-LBPRGKRZSA-N 1 0 323.349 1.193 20 5 DDBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000414932431 279247513 /nfs/dbraw/zinc/24/75/13/279247513.db2.gz RBXQHEKUBICHDF-ZOWXZIJZSA-N 1 0 320.393 1.900 20 5 DDBDRO CC[NH+]1CCN([C@@H]2CCN(c3ccc(F)cc3[N+](=O)[O-])C2)CC1 ZINC000106479033 279369538 /nfs/dbraw/zinc/36/95/38/279369538.db2.gz NFAOGWXCFBHBNN-CQSZACIVSA-N 1 0 322.384 1.950 20 5 DDBDRO C[C@H]([NH3+])CCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000165870339 279399273 /nfs/dbraw/zinc/39/92/73/279399273.db2.gz RCWNQTUVBJOUGS-ZETCQYMHSA-N 1 0 316.155 1.824 20 5 DDBDRO CN1CCN(CCOc2ccc([N+](=O)[O-])cc2)C(C)(C)C1=O ZINC000129861054 281359693 /nfs/dbraw/zinc/35/96/93/281359693.db2.gz XRYAVCXXEHWPJU-UHFFFAOYSA-N 1 0 307.350 1.526 20 5 DDBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)C[C@H]1CCOC1 ZINC000247232101 282039930 /nfs/dbraw/zinc/03/99/30/282039930.db2.gz ZJFCKPPYVIDVQI-NWDGAFQWSA-N 1 0 307.350 1.890 20 5 DDBDRO O=[N+]([O-])c1c(N2CCC3(CC[NH2+]C3)CC2)nc2sccn21 ZINC000572587619 304540967 /nfs/dbraw/zinc/54/09/67/304540967.db2.gz CDUCYKLXSTXYKP-UHFFFAOYSA-N 1 0 307.379 1.884 20 5 DDBDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1c([N+](=O)[O-])cnn1C ZINC000165683178 298215958 /nfs/dbraw/zinc/21/59/58/298215958.db2.gz LLLJFOBSZBXJRR-LBPRGKRZSA-N 1 0 323.397 1.713 20 5 DDBDRO COCC[C@@]1([NH2+]CCOc2ccc([N+](=O)[O-])cc2)CCOC1 ZINC000573288804 304587271 /nfs/dbraw/zinc/58/72/71/304587271.db2.gz CMOHXXLKNYSBFC-OAHLLOKOSA-N 1 0 310.350 1.759 20 5 DDBDRO Cn1nc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000356464301 298798629 /nfs/dbraw/zinc/79/86/29/298798629.db2.gz SVQSWPGPCMFKGC-NSHDSACASA-N 1 0 307.354 1.029 20 5 DDBDRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000186848893 300001811 /nfs/dbraw/zinc/00/18/11/300001811.db2.gz UCLIUAABAZTJSR-NWDGAFQWSA-N 1 0 306.366 1.145 20 5 DDBDRO C[C@H]1CN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC[N@@H+](C2CC2)C1 ZINC000295445291 300183258 /nfs/dbraw/zinc/18/32/58/300183258.db2.gz AJSCWHSTLHTWNI-LLVKDONJSA-N 1 0 318.377 1.733 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1CN1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000368217987 300979797 /nfs/dbraw/zinc/97/97/97/300979797.db2.gz CERWSIJGVAFDTG-IRXDYDNUSA-N 1 0 319.405 1.934 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@@H]2c2nccs2)c1 ZINC000368404320 301019948 /nfs/dbraw/zinc/01/99/48/301019948.db2.gz LIHNCFGZVNSCLG-VXGBXAGGSA-N 1 0 323.378 1.446 20 5 DDBDRO CC[C@@H](C(=O)N1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1)[NH+](C)C ZINC000368411466 301021949 /nfs/dbraw/zinc/02/19/49/301021949.db2.gz IAEKNOBUSRWOBN-AAEUAGOBSA-N 1 0 309.370 1.295 20 5 DDBDRO COc1cccc(NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)c1[N+](=O)[O-] ZINC000368486706 301038870 /nfs/dbraw/zinc/03/88/70/301038870.db2.gz OVOOCYZDYUSQDC-RYUDHWBXSA-N 1 0 307.350 1.879 20 5 DDBDRO [NH3+][C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000368820406 301092835 /nfs/dbraw/zinc/09/28/35/301092835.db2.gz DXVUVMANMUHHOO-JGPRNRPPSA-N 1 0 320.305 1.597 20 5 DDBDRO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000369912998 301238717 /nfs/dbraw/zinc/23/87/17/301238717.db2.gz MLUACXOGYBHBNP-ARFHVFGLSA-N 1 0 317.389 1.775 20 5 DDBDRO COc1ccc(C[NH2+][C@H]2CC(=O)N3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000370288652 301310394 /nfs/dbraw/zinc/31/03/94/301310394.db2.gz OMQMPQYJGMOWTK-QWHCGFSZSA-N 1 0 319.361 1.846 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](N2CCNC2=O)C1 ZINC000370376357 301327009 /nfs/dbraw/zinc/32/70/09/301327009.db2.gz ZJUWMOTYYHEUEM-HNNXBMFYSA-N 1 0 318.377 1.893 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000370634059 301374840 /nfs/dbraw/zinc/37/48/40/301374840.db2.gz IFVGKSLNTWJIMB-CYBMUJFWSA-N 1 0 319.361 1.914 20 5 DDBDRO Cc1cccc(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c1[N+](=O)[O-] ZINC000377481539 302183663 /nfs/dbraw/zinc/18/36/63/302183663.db2.gz LZKAHZGMXOUWRT-QWHCGFSZSA-N 1 0 319.361 1.496 20 5 DDBDRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc([N+](=O)[O-])cc1F ZINC000377510192 302187897 /nfs/dbraw/zinc/18/78/97/302187897.db2.gz FKHBQBSVJBESCW-VXGBXAGGSA-N 1 0 323.324 1.327 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000377561243 302192994 /nfs/dbraw/zinc/19/29/94/302192994.db2.gz GTJSZENBSRAAAJ-OAHLLOKOSA-N 1 0 321.381 1.092 20 5 DDBDRO COc1cc(CN2CC[NH+]3CCC2CC3)c([N+](=O)[O-])cc1OC ZINC000377624000 302199501 /nfs/dbraw/zinc/19/95/01/302199501.db2.gz JWTJMURBZGECKH-UHFFFAOYSA-N 1 0 321.377 1.892 20 5 DDBDRO O=c1c(Br)cc([N+](=O)[O-])cn1CC[C@H]1CC[NH2+]C1 ZINC000519820330 302855855 /nfs/dbraw/zinc/85/58/55/302855855.db2.gz GCOCACZEMAYGNZ-MRVPVSSYSA-N 1 0 316.155 1.519 20 5 DDBDRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000531054929 303227535 /nfs/dbraw/zinc/22/75/35/303227535.db2.gz LXFFABSSLDKSPZ-CHWSQXEVSA-N 1 0 321.377 1.963 20 5 DDBDRO CC[N@@H+]1CCCN(C(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000532873287 303300271 /nfs/dbraw/zinc/30/02/71/303300271.db2.gz IWMHOVJXGZFOBF-UHFFFAOYSA-N 1 0 306.366 1.832 20 5 DDBDRO CC(C)N(CC[NH+](C)C)C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000533368759 303317479 /nfs/dbraw/zinc/31/74/79/303317479.db2.gz BJFGXMDZXXHASA-UHFFFAOYSA-N 1 0 323.349 1.736 20 5 DDBDRO [NH3+]C1CCC(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000428973287 303361961 /nfs/dbraw/zinc/36/19/61/303361961.db2.gz CQIOBFOHKWQPRH-UHFFFAOYSA-N 1 0 321.333 1.366 20 5 DDBDRO COc1ccc(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000364072546 307041082 /nfs/dbraw/zinc/04/10/82/307041082.db2.gz NOHUJLTZLFQGOZ-CYBMUJFWSA-N 1 0 319.361 1.914 20 5 DDBDRO O=C(CC[N@H+]1C[C@@H](O)C2(CC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000364444973 307045833 /nfs/dbraw/zinc/04/58/33/307045833.db2.gz RFHMFASCNZFKKW-CYBMUJFWSA-N 1 0 305.334 1.380 20 5 DDBDRO C[C@]1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCC[N@@H+]1Cc1ccccc1 ZINC000373608734 307191950 /nfs/dbraw/zinc/19/19/50/307191950.db2.gz DTVBFYPHPNCEIB-BFYDXBDKSA-N 1 0 317.389 1.823 20 5 DDBDRO CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000376301691 307242577 /nfs/dbraw/zinc/24/25/77/307242577.db2.gz HTFUGVZZEAGRCO-BZUAXINKSA-N 1 0 317.389 1.775 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000376575954 307248360 /nfs/dbraw/zinc/24/83/60/307248360.db2.gz XRRVOOGMXXXCEK-IUODEOHRSA-N 1 0 318.377 1.997 20 5 DDBDRO O=C(CC[C@@H]1CC[NH2+]C1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000564657903 308001600 /nfs/dbraw/zinc/00/16/00/308001600.db2.gz QYEHAQLKQJCALT-LLVKDONJSA-N 1 0 304.350 1.264 20 5 DDBDRO CCc1ccc(C(=O)N2CCC(O)(C[NH3+])CC2)cc1[N+](=O)[O-] ZINC000564955144 308014791 /nfs/dbraw/zinc/01/47/91/308014791.db2.gz YPHIKBIHHITFRO-UHFFFAOYSA-N 1 0 307.350 1.083 20 5 DDBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000567925674 308100114 /nfs/dbraw/zinc/10/01/14/308100114.db2.gz QYNWWXWNKOZGDW-VHSXEESVSA-N 1 0 323.349 1.151 20 5 DDBDRO C[C@H](Cc1ccc(O)cc1)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000573713278 308250310 /nfs/dbraw/zinc/25/03/10/308250310.db2.gz OBHIALJDPBJBEK-ABAIWWIYSA-N 1 0 320.349 1.079 20 5 DDBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000576755629 308337316 /nfs/dbraw/zinc/33/73/16/308337316.db2.gz SWYNDOFTKMAAOD-AXFHLTTASA-N 1 0 322.365 1.014 20 5 DDBDRO COc1ccc([C@H](C[NH3+])Cn2cc([N+](=O)[O-])cc(F)c2=O)cc1 ZINC000577059794 308359595 /nfs/dbraw/zinc/35/95/95/308359595.db2.gz FKIGSAAIYUZJPN-LLVKDONJSA-N 1 0 321.308 1.647 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C2CC(c3ccccc3)C2)c1 ZINC000577275055 308375798 /nfs/dbraw/zinc/37/57/98/308375798.db2.gz HZZAAYSJRAXKKR-XUJLQICISA-N 1 0 316.361 1.688 20 5 DDBDRO CCCN(C(=O)c1cc(OC)ccc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000580063665 308576657 /nfs/dbraw/zinc/57/66/57/308576657.db2.gz YWOGYAMDBHHQAY-NSHDSACASA-N 1 0 307.350 1.818 20 5 DDBDRO CC(C)[C@@](C)(C[NH3+])NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000580184057 308585464 /nfs/dbraw/zinc/58/54/64/308585464.db2.gz WOBOEQORZYJQRE-OAHLLOKOSA-N 1 0 323.349 1.469 20 5 DDBDRO COCC[NH2+]C1CCN(Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000580198244 308587054 /nfs/dbraw/zinc/58/70/54/308587054.db2.gz XFTWWUDFBOMBST-UHFFFAOYSA-N 1 0 311.357 1.934 20 5 DDBDRO O=C(Cn1cc([N+](=O)[O-])cn1)N1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000365211386 325733256 /nfs/dbraw/zinc/73/32/56/325733256.db2.gz OQSQMYXGHBLGRZ-CYBMUJFWSA-N 1 0 321.381 1.268 20 5 DDBDRO C[C@@H]1CC[C@@H](C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)O1 ZINC000583626291 336002656 /nfs/dbraw/zinc/00/26/56/336002656.db2.gz LIUFUWWKIIQNMA-KYOSRNDESA-N 1 0 310.350 1.492 20 5 DDBDRO CC(C)C[C@@H](C[NH3+])NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000582600940 337111913 /nfs/dbraw/zinc/11/19/13/337111913.db2.gz KHVSAPPFFNBOJT-VIFPVBQESA-N 1 0 309.322 1.427 20 5 DDBDRO C[C@@]1(CN2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC[NH2+]C1 ZINC000582845745 337205814 /nfs/dbraw/zinc/20/58/14/337205814.db2.gz JAHBRYFGXHJHDM-OAHLLOKOSA-N 1 0 305.382 1.111 20 5 DDBDRO CN(CCC[NH3+])C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000583133574 337243123 /nfs/dbraw/zinc/24/31/23/337243123.db2.gz CKEYMJOEEYJQGX-UHFFFAOYSA-N 1 0 314.773 1.781 20 5 DDBDRO C[C@@H](C(=O)NCC1(O)CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000397552783 337276218 /nfs/dbraw/zinc/27/62/18/337276218.db2.gz ZLKIYAJWUKGCPV-GFCCVEGCSA-N 1 0 321.377 1.271 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@@H]3CCCC[C@H]3O)CC2)cn1 ZINC000584533392 337357510 /nfs/dbraw/zinc/35/75/10/337357510.db2.gz YTXVNSDPVIBTEI-DZGCQCFKSA-N 1 0 320.393 1.663 20 5 DDBDRO O=[N+]([O-])c1ccc(OCC[NH2+]C2CCS(=O)(=O)CC2)cc1 ZINC000038079475 337371377 /nfs/dbraw/zinc/37/13/77/337371377.db2.gz YHHSBLJVYVAOKT-UHFFFAOYSA-N 1 0 314.363 1.140 20 5 DDBDRO C[C@H]1[C@@H](CO)CC[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000488728632 484215709 /nfs/dbraw/zinc/21/57/09/484215709.db2.gz FLAAXYDCEIKKJP-CMPLNLGQSA-N 1 0 318.333 1.848 20 5 DDBDRO CC(C)OC[C@@H](O)C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000493796299 484239466 /nfs/dbraw/zinc/23/94/66/484239466.db2.gz OTSKTBCHCUMZAA-OCCSQVGLSA-N 1 0 324.381 1.262 20 5 DDBDRO C[C@H](CCCC[NH3+])NC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000417930781 533839489 /nfs/dbraw/zinc/83/94/89/533839489.db2.gz BJFKFEVWFWVUFN-GFCCVEGCSA-N 1 0 308.382 1.954 20 5 DDBDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444688248 534249576 /nfs/dbraw/zinc/24/95/76/534249576.db2.gz IXNNWQYUAJKGKC-WDEREUQCSA-N 1 0 303.366 1.996 20 5 DDBDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C1 ZINC000156015143 519678113 /nfs/dbraw/zinc/67/81/13/519678113.db2.gz AHOWTNUTZTUWSL-LLVKDONJSA-N 1 0 322.365 1.546 20 5 DDBDRO Cc1cccc(C(=O)NC[C@H]2CCCC[N@@H+]2CCO)c1[N+](=O)[O-] ZINC000452378485 534608435 /nfs/dbraw/zinc/60/84/35/534608435.db2.gz WZIRVILBGOEHHK-CYBMUJFWSA-N 1 0 321.377 1.480 20 5 DDBDRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000158396888 527233264 /nfs/dbraw/zinc/23/32/64/527233264.db2.gz AHWGPOIKBLMUSP-BXKDBHETSA-N 1 0 317.349 1.718 20 5 DDBDRO CCO[C@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H]1C ZINC000451546092 528062471 /nfs/dbraw/zinc/06/24/71/528062471.db2.gz RUWREUVSSJMUOK-ABAIWWIYSA-N 1 0 321.377 1.941 20 5 DDBDRO CCOC(=O)c1cc(C(=O)N2CC[NH2+]C[C@H]2C)cc([N+](=O)[O-])c1 ZINC000422750181 528140386 /nfs/dbraw/zinc/14/03/86/528140386.db2.gz CIOWPPFPECNUAG-SNVBAGLBSA-N 1 0 321.333 1.205 20 5 DDBDRO CC[NH+](CC)CCOCCNC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000446417300 528142296 /nfs/dbraw/zinc/14/22/96/528142296.db2.gz FOQSFNZQHKEJMJ-UHFFFAOYSA-N 1 0 323.393 1.991 20 5 DDBDRO CC[C@H]1[C@H](CO)CC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000451250279 529344015 /nfs/dbraw/zinc/34/40/15/529344015.db2.gz DEJJOPRJGSIONL-WFASDCNBSA-N 1 0 321.377 1.650 20 5 DDBDRO C[NH2+][C@H]1CCCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000193335979 538549773 /nfs/dbraw/zinc/54/97/73/538549773.db2.gz PTVRIBPRFGHYRC-LBPRGKRZSA-N 1 0 313.379 1.108 20 5 DDBDRO CC[N@@H+]1CCCN(c2ccc([N+](=O)[O-])c(-c3nn[nH]n3)c2)CC1 ZINC000825459827 607452019 /nfs/dbraw/zinc/45/20/19/607452019.db2.gz OMDZYRATYOWXRR-UHFFFAOYSA-N 1 0 317.353 1.307 20 5 DDBDRO C[C@@H]1C[C@H](Nc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC[N@@H+]1C ZINC000820669008 606711921 /nfs/dbraw/zinc/71/19/21/606711921.db2.gz YKKPZWLSYHOSIN-RKDXNWHRSA-N 1 0 318.341 1.065 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=S)NCC[NH+](C)C ZINC000798374322 700059943 /nfs/dbraw/zinc/05/99/43/700059943.db2.gz LPDKLNFTLPKCRD-UHFFFAOYSA-N 1 0 312.395 1.842 20 5 DDBDRO CC(C)CNC(=O)C1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000747959267 700093276 /nfs/dbraw/zinc/09/32/76/700093276.db2.gz MZSWGMNCNGALQE-UHFFFAOYSA-N 1 0 323.397 1.276 20 5 DDBDRO CC(C)[C@@H](C(=O)OCCn1ccc([N+](=O)[O-])n1)[NH+]1CCCCC1 ZINC000748130185 700101309 /nfs/dbraw/zinc/10/13/09/700101309.db2.gz WQSHOZDANWBQLA-AWEZNQCLSA-N 1 0 324.381 1.845 20 5 DDBDRO Cc1cc(F)cc(C(=O)NC[C@@](C)(O)C[NH+](C)C)c1[N+](=O)[O-] ZINC000152824083 696905932 /nfs/dbraw/zinc/90/59/32/696905932.db2.gz HYXPLIUCAALZPW-CQSZACIVSA-N 1 0 313.329 1.085 20 5 DDBDRO CC1(C)CC(C[N@@H+]2CCCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)C1 ZINC000981137974 697015595 /nfs/dbraw/zinc/01/55/95/697015595.db2.gz IZAMPTXNLARKQD-ZIAGYGMSSA-N 1 0 309.410 1.622 20 5 DDBDRO Cc1csc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)n1 ZINC000983650503 697286487 /nfs/dbraw/zinc/28/64/87/697286487.db2.gz VDCXREOZYZHAPP-DDHJBXDOSA-N 1 0 324.406 1.101 20 5 DDBDRO O=C(N[C@H]1C[C@H](C[NH2+]CC2CC(F)(F)C2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000983655339 697286893 /nfs/dbraw/zinc/28/68/93/697286893.db2.gz SRKUWQPHJCKLFB-HJQYOEGKSA-N 1 0 317.336 1.181 20 5 DDBDRO CCC[C@@H]1CN(Cn2nccc2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000159833888 697312390 /nfs/dbraw/zinc/31/23/90/697312390.db2.gz KGDBIGRZSNJZPO-CYBMUJFWSA-N 1 0 311.386 1.182 20 5 DDBDRO [NH3+]C[C@H]1CCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000178560672 697425926 /nfs/dbraw/zinc/42/59/26/697425926.db2.gz OJLOWTOVRRIAQK-LLVKDONJSA-N 1 0 315.333 1.201 20 5 DDBDRO CCS(=O)(=O)C[C@H](C)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000775385537 697990966 /nfs/dbraw/zinc/99/09/66/697990966.db2.gz LMLROAXRKAFHRA-GXFFZTMASA-N 1 0 316.379 1.041 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)CN2CC[NH+](CCCCO)CC2)c1 ZINC000750105039 700203390 /nfs/dbraw/zinc/20/33/90/700203390.db2.gz IOYWVMSRXKNWTE-MRXNPFEDSA-N 1 0 323.393 1.018 20 5 DDBDRO O=C1[C@H]([N@@H+]2C[C@H]3C[C@@]3(CO)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000782613391 698750590 /nfs/dbraw/zinc/75/05/90/698750590.db2.gz HXIGCXXQUOJDKO-XFJVYGCCSA-N 1 0 317.345 1.014 20 5 DDBDRO O=C1OCCN1CCC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000785856062 699106580 /nfs/dbraw/zinc/10/65/80/699106580.db2.gz CIMWBUDOAUFKNC-UHFFFAOYSA-N 1 0 323.353 1.271 20 5 DDBDRO COc1cccc(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000790960857 699605022 /nfs/dbraw/zinc/60/50/22/699605022.db2.gz JAGDPFOOJDEJEZ-CQSZACIVSA-N 1 0 303.318 1.822 20 5 DDBDRO O=c1oc2cccc([N+](=O)[O-])c2n1CN1CC[C@]2(CCOC2)C1 ZINC000794634044 699820079 /nfs/dbraw/zinc/82/00/79/699820079.db2.gz YGUSVXLXMFGZGH-HNNXBMFYSA-N 1 0 319.317 1.573 20 5 DDBDRO C[C@@H]1OCC[C@@H]1[N@H+](CCO)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000796578725 699940129 /nfs/dbraw/zinc/94/01/29/699940129.db2.gz JXQYSNFJMUYYFS-TUKIKUTGSA-N 1 0 310.350 1.100 20 5 DDBDRO COCC[N@H+](C)CCNC(=O)/C=C(\C)c1ccc([N+](=O)[O-])cc1 ZINC000751918867 700326444 /nfs/dbraw/zinc/32/64/44/700326444.db2.gz IEXCISVKVAWYOC-OUKQBFOZSA-N 1 0 321.377 1.693 20 5 DDBDRO COC[C@H]1CCC[N@@H+]1Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000751949552 700329839 /nfs/dbraw/zinc/32/98/39/700329839.db2.gz LQWJNTAPBYORQY-CQSZACIVSA-N 1 0 317.349 1.922 20 5 DDBDRO CCC[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1 ZINC000801799048 700339862 /nfs/dbraw/zinc/33/98/62/700339862.db2.gz PODQUZICENBVIA-UHFFFAOYSA-N 1 0 324.356 1.920 20 5 DDBDRO COC(=O)[C@@H]1C[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C[C@H]1C ZINC000755928320 700593359 /nfs/dbraw/zinc/59/33/59/700593359.db2.gz XLEUENIDNZXVME-ZWNOBZJWSA-N 1 0 318.333 1.643 20 5 DDBDRO C[NH+]1CCC(CNC(=S)NCc2ccccc2[N+](=O)[O-])CC1 ZINC000760467264 700809563 /nfs/dbraw/zinc/80/95/63/700809563.db2.gz BQAXDDDSAWJNHH-UHFFFAOYSA-N 1 0 322.434 1.901 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[N@H+](C)[C@H](C)C1 ZINC000761077256 700840218 /nfs/dbraw/zinc/84/02/18/700840218.db2.gz NSJRNHKQSISBLY-GFCCVEGCSA-N 1 0 306.366 1.478 20 5 DDBDRO C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000809732647 701683629 /nfs/dbraw/zinc/68/36/29/701683629.db2.gz INMLHECDSNINDW-LYRGGWFBSA-N 1 0 305.378 1.701 20 5 DDBDRO C[NH+]1CCC2(CCCN(C(=O)c3cc([N+](=O)[O-])n[nH]3)C2)CC1 ZINC000803340634 701103332 /nfs/dbraw/zinc/10/33/32/701103332.db2.gz KRVLPJBIDPNWKB-UHFFFAOYSA-N 1 0 307.354 1.266 20 5 DDBDRO C[N@@H+]1CCCC[C@@H]1CCC(=O)OCCn1ccc([N+](=O)[O-])n1 ZINC000803856623 701150099 /nfs/dbraw/zinc/15/00/99/701150099.db2.gz SSXQQOSALDTAJA-GFCCVEGCSA-N 1 0 310.354 1.599 20 5 DDBDRO C[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)CC1 ZINC000770446944 701278206 /nfs/dbraw/zinc/27/82/06/701278206.db2.gz UTEKPCKWKBNZEG-UHFFFAOYSA-N 1 0 318.377 1.993 20 5 DDBDRO COC(=O)C[C@]1([NH2+]Cc2ccccc2[N+](=O)[O-])CCCOC1 ZINC000770711434 701291506 /nfs/dbraw/zinc/29/15/06/701291506.db2.gz VIHNTNZOTNQQDP-OAHLLOKOSA-N 1 0 308.334 1.797 20 5 DDBDRO COc1cccc(C(=O)NCC[N@@H+]2CCC[C@@H]2C)c1[N+](=O)[O-] ZINC000770739797 701292727 /nfs/dbraw/zinc/29/27/27/701292727.db2.gz MFGNFBCSIRNLQU-NSHDSACASA-N 1 0 307.350 1.818 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)N[C@H](C[NH+](C)C)C(C)C)c1[N+](=O)[O-] ZINC000771496685 701321798 /nfs/dbraw/zinc/32/17/98/701321798.db2.gz YNNMCWDTYDCPSJ-SNVBAGLBSA-N 1 0 311.386 1.757 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@H](CCO)C2CC2)c1 ZINC000771801350 701331319 /nfs/dbraw/zinc/33/13/19/701331319.db2.gz RUFSCFLRDGRNKN-UKRRQHHQSA-N 1 0 310.350 1.085 20 5 DDBDRO COc1cccc(N2CC[NH+](CCCCO)CC2)c1[N+](=O)[O-] ZINC000772082465 701343082 /nfs/dbraw/zinc/34/30/82/701343082.db2.gz OMTBTJQYTJDFOF-UHFFFAOYSA-N 1 0 309.366 1.498 20 5 DDBDRO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000839689932 701785249 /nfs/dbraw/zinc/78/52/49/701785249.db2.gz CHJBGEOSVBZVHU-RRFJBIMHSA-N 1 0 303.362 1.385 20 5 DDBDRO O=C(Cc1cccc(F)c1[N+](=O)[O-])NCC[N@H+]1CC=CCC1 ZINC000867921438 701831569 /nfs/dbraw/zinc/83/15/69/701831569.db2.gz KQXKAEFZHSUFIG-UHFFFAOYSA-N 1 0 307.325 1.655 20 5 DDBDRO COCCC1(NC(=O)c2ccc([N+](=O)[O-])cc2)CC[NH2+]CC1 ZINC000868039053 701905658 /nfs/dbraw/zinc/90/56/58/701905658.db2.gz KMDYFWSHDJLIMF-UHFFFAOYSA-N 1 0 307.350 1.483 20 5 DDBDRO COC(=O)[C@H]1CN(c2ccc(C)cc2[N+](=O)[O-])CC[N@H+](C)C1 ZINC000840361680 702083316 /nfs/dbraw/zinc/08/33/16/702083316.db2.gz ZKTSIJJHWYKGBP-GFCCVEGCSA-N 1 0 307.350 1.444 20 5 DDBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000868567912 702202007 /nfs/dbraw/zinc/20/20/07/702202007.db2.gz XBJYWAYRDZNVPW-GWCFXTLKSA-N 1 0 309.341 1.827 20 5 DDBDRO COc1cc(CC[NH2+]C[C@H](O)C2CC2)c([N+](=O)[O-])cc1OC ZINC000840740568 702223632 /nfs/dbraw/zinc/22/36/32/702223632.db2.gz URUJQAOFJFGYCT-ZDUSSCGKSA-N 1 0 310.350 1.515 20 5 DDBDRO C[NH+]1CCN(C2CCN(c3sccc3[N+](=O)[O-])CC2)CC1 ZINC000866212994 706651172 /nfs/dbraw/zinc/65/11/72/706651172.db2.gz PCZDIZSFUSCIOL-UHFFFAOYSA-N 1 0 310.423 1.873 20 5 DDBDRO C[N@@H+]1C[C@@H]2CCN(C(=O)COc3ccc([N+](=O)[O-])c(F)c3)[C@@H]2C1 ZINC000816950098 702234268 /nfs/dbraw/zinc/23/42/68/702234268.db2.gz LVEWAWGJOSJTTG-IINYFYTJSA-N 1 0 323.324 1.275 20 5 DDBDRO C[N@@H+]1C[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])c(F)cc3N)[C@@H]2C1 ZINC000816952046 702234953 /nfs/dbraw/zinc/23/49/53/702234953.db2.gz BEMWUXMHGRUYJB-AMIZOPFISA-N 1 0 308.313 1.092 20 5 DDBDRO COC[C@@H](CCO)[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866270906 706662318 /nfs/dbraw/zinc/66/23/18/706662318.db2.gz XQPXEKTVFZQWTH-GXFFZTMASA-N 1 0 300.330 1.652 20 5 DDBDRO C[C@@H](N[C@@H]1C[NH2+]CCC1(F)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817979514 702541841 /nfs/dbraw/zinc/54/18/41/702541841.db2.gz BOZXZSLNIQTCAX-PRHODGIISA-N 1 0 300.309 1.825 20 5 DDBDRO COc1ccc(CC(=O)N2CC[C@]3(CCC[NH2+]3)C2)cc1[N+](=O)[O-] ZINC000818018991 702555714 /nfs/dbraw/zinc/55/57/14/702555714.db2.gz XMPLJDNSFVPABB-MRXNPFEDSA-N 1 0 319.361 1.500 20 5 DDBDRO CC[NH2+]CCNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000841856517 702589726 /nfs/dbraw/zinc/58/97/26/702589726.db2.gz RCANDMLLSGGXTK-UHFFFAOYSA-N 1 0 300.746 1.657 20 5 DDBDRO O=C(OCC1CC[NH+](Cc2ccco2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000842324874 702703679 /nfs/dbraw/zinc/70/36/79/702703679.db2.gz IKRIUCSRTGZJJM-ZIAGYGMSSA-N 1 0 308.334 1.700 20 5 DDBDRO CC(C)[N@@H+]1CCC[C@H](COC(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000842836509 702781906 /nfs/dbraw/zinc/78/19/06/702781906.db2.gz PIFGPKWUFLLINP-LBPRGKRZSA-N 1 0 310.354 1.455 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H]2c3ccccc3C[C@@H]2O)c1 ZINC000843071384 702813466 /nfs/dbraw/zinc/81/34/66/702813466.db2.gz ZRZVUVYTTVLQAP-YESZJQIVSA-N 1 0 314.341 1.876 20 5 DDBDRO Cc1nc([N+](=O)[O-])c(-c2noc(CC[C@@H]3CCC[NH2+]3)n2)n1C ZINC000843221235 702844728 /nfs/dbraw/zinc/84/47/28/702844728.db2.gz FYMQRKOSQWERFY-VIFPVBQESA-N 1 0 306.326 1.371 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(Cc2noc(C[C@@H]([NH3+])C3CC3)n2)c1 ZINC000843223664 702845565 /nfs/dbraw/zinc/84/55/65/702845565.db2.gz UCOIAWWRAIYJIW-GFCCVEGCSA-N 1 0 318.333 1.857 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CC[NH2+]CC2(C)C)cc1[N+](=O)[O-] ZINC000843351834 702864735 /nfs/dbraw/zinc/86/47/35/702864735.db2.gz GNXGPYLDCXENCB-UHFFFAOYSA-N 1 0 322.321 1.635 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)NCC2=CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000843465110 702887794 /nfs/dbraw/zinc/88/77/94/702887794.db2.gz WPMCRMDFUDGXMZ-UHFFFAOYSA-N 1 0 320.305 1.461 20 5 DDBDRO [NH3+]CCC1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000846698355 703319880 /nfs/dbraw/zinc/31/98/80/703319880.db2.gz FMAWSZGMKOEOOF-UHFFFAOYSA-N 1 0 322.321 1.704 20 5 DDBDRO CCO[C@H](CNC(=O)c1c(C)c(C)ccc1[N+](=O)[O-])C[NH+](C)C ZINC000831696126 706755280 /nfs/dbraw/zinc/75/52/80/706755280.db2.gz QYUXUEPTZAVDQZ-CYBMUJFWSA-N 1 0 323.393 1.908 20 5 DDBDRO C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C[C@@H]1[NH3+] ZINC000850722386 703746862 /nfs/dbraw/zinc/74/68/62/703746862.db2.gz RDRQKSAJVPBWSP-MFKMUULPSA-N 1 0 306.366 1.470 20 5 DDBDRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000818579979 703929407 /nfs/dbraw/zinc/92/94/07/703929407.db2.gz YHUFNLIJKQKPPS-GXFFZTMASA-N 1 0 317.349 1.059 20 5 DDBDRO O=C(CCN1CCC[C@H]2[NH2+]CC[C@H]21)Nc1ccc([N+](=O)[O-])cc1 ZINC000866721917 706775901 /nfs/dbraw/zinc/77/59/01/706775901.db2.gz QXLFUZQDVCXBIJ-HUUCEWRRSA-N 1 0 318.377 1.750 20 5 DDBDRO COc1ccc(OCCN2CCC[C@@H]3[NH2+]CC[C@H]32)c([N+](=O)[O-])c1 ZINC000866723131 706776355 /nfs/dbraw/zinc/77/63/55/706776355.db2.gz DPZMMSNTLWYVNN-UONOGXRCSA-N 1 0 321.377 1.809 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H](O)c1ccc(F)cn1 ZINC000818967792 704037218 /nfs/dbraw/zinc/03/72/18/704037218.db2.gz BRYGIJFBRDTBGG-CQSZACIVSA-N 1 0 321.308 1.961 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCC[C@@](O)(C3CC3)C2)cc1 ZINC000852500764 704064171 /nfs/dbraw/zinc/06/41/71/704064171.db2.gz DKDYKZIVGDFEFH-CVEARBPZSA-N 1 0 306.362 1.865 20 5 DDBDRO C[NH+]1CCC2(CCN(C(=O)c3cc([N+](=O)[O-])n[nH]3)CC2)CC1 ZINC000870507656 704065029 /nfs/dbraw/zinc/06/50/29/704065029.db2.gz VGMPBIJYDBEMCI-UHFFFAOYSA-N 1 0 307.354 1.266 20 5 DDBDRO O=C(CC[N@@H+]1CCC2(COC2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000852683700 704099739 /nfs/dbraw/zinc/09/97/39/704099739.db2.gz PXBAEQXNPYHCBY-UHFFFAOYSA-N 1 0 323.324 1.785 20 5 DDBDRO CO[C@@H]1COCC[C@@H]1C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819345163 704111063 /nfs/dbraw/zinc/11/10/63/704111063.db2.gz XGMREHDZOFPXHD-VHDGCEQUSA-N 1 0 310.350 1.269 20 5 DDBDRO C[C@@H](C[C@H]1CCCC[N@@H+]1C)OC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000870789976 704132871 /nfs/dbraw/zinc/13/28/71/704132871.db2.gz LFZVPOHFWALDKJ-NWDGAFQWSA-N 1 0 310.354 1.597 20 5 DDBDRO C[N@H+](C[C@H]1CCOC1)Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853501843 704251853 /nfs/dbraw/zinc/25/18/53/704251853.db2.gz LOFQJDJTPMISRR-GFCCVEGCSA-N 1 0 317.349 1.779 20 5 DDBDRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000820504303 704291507 /nfs/dbraw/zinc/29/15/07/704291507.db2.gz SXRIVKNIPZKBNM-QPUJVOFHSA-N 1 0 310.329 1.481 20 5 DDBDRO COCC[N@H+]1[C@H](C)CN(c2ccc(N)c([N+](=O)[O-])n2)C[C@@H]1C ZINC000853708751 704303037 /nfs/dbraw/zinc/30/30/37/704303037.db2.gz UGPYEKCQBJPBID-PHIMTYICSA-N 1 0 309.370 1.117 20 5 DDBDRO CNC(=O)CCC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000821342066 704393666 /nfs/dbraw/zinc/39/36/66/704393666.db2.gz JZMYBLPRMMOQAQ-UHFFFAOYSA-N 1 0 306.366 1.243 20 5 DDBDRO C[N@@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000854643235 704431973 /nfs/dbraw/zinc/43/19/73/704431973.db2.gz SEOIQYUICYJEOH-QWHCGFSZSA-N 1 0 313.398 1.144 20 5 DDBDRO C[C@H]([NH3+])CCNC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000857113680 704552617 /nfs/dbraw/zinc/55/26/17/704552617.db2.gz GAOILSXMNAVKAB-LBPRGKRZSA-N 1 0 321.381 1.164 20 5 DDBDRO O=C(N1CCC[NH2+]CC1)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857762956 704621747 /nfs/dbraw/zinc/62/17/47/704621747.db2.gz JNEKWDFCKCQQJE-UHFFFAOYSA-N 1 0 315.276 1.388 20 5 DDBDRO C[NH2+]CCCN(C)C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857766550 704622487 /nfs/dbraw/zinc/62/24/87/704622487.db2.gz OGCUHEOTMBOGPX-UHFFFAOYSA-N 1 0 317.292 1.634 20 5 DDBDRO C[NH+](C)C1(CNC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC000822932076 705085380 /nfs/dbraw/zinc/08/53/80/705085380.db2.gz RIYNAAPMPJZSAJ-UONOGXRCSA-N 1 0 303.362 1.909 20 5 DDBDRO CCC[NH+]1CCC(NC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000823911821 705339003 /nfs/dbraw/zinc/33/90/03/705339003.db2.gz VMTVHYURZSSYCP-OAHLLOKOSA-N 1 0 321.377 1.619 20 5 DDBDRO C[NH+](C)CC1(NC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)CCC1 ZINC000823945694 705343709 /nfs/dbraw/zinc/34/37/09/705343709.db2.gz SNOHZGAKLMOMKK-UHFFFAOYSA-N 1 0 307.354 1.783 20 5 DDBDRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823968264 705346931 /nfs/dbraw/zinc/34/69/31/705346931.db2.gz NHIWTVYXONFKSY-AWEZNQCLSA-N 1 0 321.381 1.981 20 5 DDBDRO CO[C@@H]1C[N@H+](C)[C@@](C)(COC(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000861345108 705436813 /nfs/dbraw/zinc/43/68/13/705436813.db2.gz YWBYYBNHHFWONT-IINYFYTJSA-N 1 0 311.338 1.199 20 5 DDBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC1C[NH+](C)C1 ZINC000825180600 705617560 /nfs/dbraw/zinc/61/75/60/705617560.db2.gz LNWYOSCZTZCZAR-UHFFFAOYSA-N 1 0 309.391 1.950 20 5 DDBDRO C[N@@H+]1CCC[C@@H](CNC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000825777200 705730027 /nfs/dbraw/zinc/73/00/27/705730027.db2.gz RFSZPCQOXBVXDG-SMDDNHRTSA-N 1 0 307.350 1.086 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876611657 705783420 /nfs/dbraw/zinc/78/34/20/705783420.db2.gz NOPDRPQJBIIRAM-TVQRCGJNSA-N 1 0 311.313 1.167 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876611996 705783834 /nfs/dbraw/zinc/78/38/34/705783834.db2.gz YSOCQKKHPGUTTG-ZBFHGGJFSA-N 1 0 319.361 1.752 20 5 DDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]CCCOC[C@H]3CCCO3)C2)c1 ZINC000876900955 705915711 /nfs/dbraw/zinc/91/57/11/705915711.db2.gz VMDKJFZNRHWPDB-SSDMNJCBSA-N 1 0 324.381 1.670 20 5 DDBDRO C[C@@H]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C[NH2+]1 ZINC000877050070 705972102 /nfs/dbraw/zinc/97/21/02/705972102.db2.gz XSSANNGFRAOPMJ-GHMZBOCLSA-N 1 0 306.366 1.531 20 5 DDBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)C[C@H](C)[NH3+] ZINC000877099319 705983149 /nfs/dbraw/zinc/98/31/49/705983149.db2.gz KENVHAPGGLFJFT-DTWKUNHWSA-N 1 0 315.757 1.821 20 5 DDBDRO [NH3+]CC12CCC(CC1)N2C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000877189350 706011745 /nfs/dbraw/zinc/01/17/45/706011745.db2.gz NRGSSSVLENHWAP-UHFFFAOYSA-N 1 0 323.324 1.595 20 5 DDBDRO [NH3+]CC12CCC(CC1)N2C(=O)COc1ccccc1[N+](=O)[O-] ZINC000877193090 706012916 /nfs/dbraw/zinc/01/29/16/706012916.db2.gz WXNQCEDWIJCCCH-UHFFFAOYSA-N 1 0 305.334 1.456 20 5 DDBDRO C[C@H](NC(=O)CNc1ccccc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000877255129 706037224 /nfs/dbraw/zinc/03/72/24/706037224.db2.gz PTHUBRTUXZWTMG-NSHDSACASA-N 1 0 306.366 1.511 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877279049 706046109 /nfs/dbraw/zinc/04/61/09/706046109.db2.gz BIGCYIQGGJTJSK-JSGCOSHPSA-N 1 0 323.324 1.466 20 5 DDBDRO O=C(COc1cccc([N+](=O)[O-])c1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877284641 706048661 /nfs/dbraw/zinc/04/86/61/706048661.db2.gz OFGSNOCNCGUATB-UONOGXRCSA-N 1 0 305.334 1.327 20 5 DDBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000877394766 706094238 /nfs/dbraw/zinc/09/42/38/706094238.db2.gz GGXGLZVAZIYASY-ZBFHGGJFSA-N 1 0 319.361 1.765 20 5 DDBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CCC(CO)(CO)CC1 ZINC000877797942 706219135 /nfs/dbraw/zinc/21/91/35/706219135.db2.gz RKKNQBOOKXLJAZ-HWKANZROSA-N 1 0 306.362 1.675 20 5 DDBDRO CC(C)(O)[C@@H]1CC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000877835758 706227221 /nfs/dbraw/zinc/22/72/21/706227221.db2.gz WTWVTRIQRFQZJO-GFCCVEGCSA-N 1 0 322.361 1.959 20 5 DDBDRO O=C(Cc1cccc(F)c1[N+](=O)[O-])N1CC[NH+](CC2CC2)CC1 ZINC000864938263 706306055 /nfs/dbraw/zinc/30/60/55/706306055.db2.gz TWTLSASOVJHEAC-UHFFFAOYSA-N 1 0 321.352 1.831 20 5 DDBDRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1c(F)cccc1[N+](=O)[O-] ZINC000865057863 706338112 /nfs/dbraw/zinc/33/81/12/706338112.db2.gz FXDTVXVYTQFIDS-WDEREUQCSA-N 1 0 323.324 1.327 20 5 DDBDRO Cc1ccc(C[NH2+]C[C@@]23COC(=O)N2CCOC3)cc1[N+](=O)[O-] ZINC000865769734 706521240 /nfs/dbraw/zinc/52/12/40/706521240.db2.gz XYJPXZZFFOPAQP-OAHLLOKOSA-N 1 0 321.333 1.214 20 5 DDBDRO O=C1CC2(CCC2)[N@H+](CCOc2ccccc2[N+](=O)[O-])CCN1 ZINC000880170434 706899991 /nfs/dbraw/zinc/89/99/91/706899991.db2.gz KZCWPKCZCPTSIX-UHFFFAOYSA-N 1 0 319.361 1.718 20 5 DDBDRO CO[C@@H]1COCC[C@H]1[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000880425589 706970407 /nfs/dbraw/zinc/97/04/07/706970407.db2.gz GHGPZRGPWFLYBM-IUODEOHRSA-N 1 0 310.350 1.709 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@H]1CCOC[C@@H]1OC ZINC000880436986 706976340 /nfs/dbraw/zinc/97/63/40/706976340.db2.gz DWCBGRPFGQCERA-ZFWWWQNUSA-N 1 0 310.350 1.839 20 5 DDBDRO CC[C@H]1CN(C(=O)c2cc(C)cc([N+](=O)[O-])c2N)CC[C@@H]1[NH3+] ZINC000834646370 707098167 /nfs/dbraw/zinc/09/81/67/707098167.db2.gz DXJWLMPVKVUECW-JQWIXIFHSA-N 1 0 306.366 1.685 20 5 DDBDRO O=[N+]([O-])c1ccc(F)cc1Cn1cc(C[C@@H]2CCC[NH2+]C2)nn1 ZINC000881226649 707158619 /nfs/dbraw/zinc/15/86/19/707158619.db2.gz SWTVZIWGNRRCIL-NSHDSACASA-N 1 0 319.340 1.916 20 5 DDBDRO C[C@H]([NH2+]CC1CC2(C1)OCCO2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000927001019 712930177 /nfs/dbraw/zinc/93/01/77/712930177.db2.gz KZONJRMFECXWIO-JTQLQIEISA-N 1 0 307.350 1.981 20 5 DDBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000882492289 707663889 /nfs/dbraw/zinc/66/38/89/707663889.db2.gz PETMYVCDQZIWBC-SNVBAGLBSA-N 1 0 324.356 1.624 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000873297846 707802876 /nfs/dbraw/zinc/80/28/76/707802876.db2.gz BWDHBODCXOYBHB-CHWSQXEVSA-N 1 0 303.362 1.893 20 5 DDBDRO Nc1ccc(N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)c([N+](=O)[O-])c1 ZINC000897219937 708257704 /nfs/dbraw/zinc/25/77/04/708257704.db2.gz QIXSAFORLSYVGA-STQMWFEESA-N 1 0 306.366 1.212 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CC[C@@]3(CO)CCC[C@@H]23)cc1 ZINC000886631261 708799137 /nfs/dbraw/zinc/79/91/37/708799137.db2.gz IITUCMKALCKUFG-BZUAXINKSA-N 1 0 306.362 1.865 20 5 DDBDRO O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CC([NH+]2CCCC2)C1 ZINC000898614147 708812202 /nfs/dbraw/zinc/81/22/02/708812202.db2.gz LGJHOXULDLQWHH-UHFFFAOYSA-N 1 0 314.345 1.996 20 5 DDBDRO O=C(C1CN([C@@H]2CCOC2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000900099693 709288743 /nfs/dbraw/zinc/28/87/43/709288743.db2.gz TUUCTOQLYRSREQ-CQSZACIVSA-N 1 0 317.345 1.205 20 5 DDBDRO O=C(Nc1ccc([N+](=O)[O-])cc1F)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000900475503 709613825 /nfs/dbraw/zinc/61/38/25/709613825.db2.gz QSRDPFJGVJRBPB-VHSXEESVSA-N 1 0 308.313 1.807 20 5 DDBDRO COc1c(O)ccc(CN2CC[NH+](CC3CC3)CC2)c1[N+](=O)[O-] ZINC000891696239 710268852 /nfs/dbraw/zinc/26/88/52/710268852.db2.gz MXKMIJXUUQEJNI-UHFFFAOYSA-N 1 0 321.377 1.837 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000891741799 710280465 /nfs/dbraw/zinc/28/04/65/710280465.db2.gz UICQHVBPOZOTMI-LBPRGKRZSA-N 1 0 309.370 1.019 20 5 DDBDRO C[N@@H+]1C[C@H]2CCN(C(=O)NCc3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000892418663 710434341 /nfs/dbraw/zinc/43/43/41/710434341.db2.gz RZWLIUXWTUALKB-OCCSQVGLSA-N 1 0 304.350 1.440 20 5 DDBDRO C[NH+](C)[C@@]1(CNc2ccc3nonc3c2[N+](=O)[O-])CCSC1 ZINC000892797862 710501594 /nfs/dbraw/zinc/50/15/94/710501594.db2.gz ZOEZTEJFJBPVBZ-CYBMUJFWSA-N 1 0 323.378 1.980 20 5 DDBDRO C[C@H]1C[N@H+](CCCOC(=O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000893391568 710632396 /nfs/dbraw/zinc/63/23/96/710632396.db2.gz MPISPAWPGVOKNK-LBPRGKRZSA-N 1 0 308.334 1.862 20 5 DDBDRO COc1c(O)ccc(C[N@@H+]2CCC[C@H]([C@H](C)O)C2)c1[N+](=O)[O-] ZINC000893418027 710644443 /nfs/dbraw/zinc/64/44/43/710644443.db2.gz NZBVVBPIHICVAZ-QWRGUYRKSA-N 1 0 310.350 1.902 20 5 DDBDRO C[C@@H]1[C@@H](NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC[N@@H+]1C ZINC000928444785 713198752 /nfs/dbraw/zinc/19/87/52/713198752.db2.gz MLGGHNJTRINTNB-KOLCDFICSA-N 1 0 302.334 1.899 20 5 DDBDRO C[C@@H]1[C@H](NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC[N@@H+]1C ZINC000928447854 713201154 /nfs/dbraw/zinc/20/11/54/713201154.db2.gz AHXPGXYLZZGPRL-NOZJJQNGSA-N 1 0 302.334 1.899 20 5 DDBDRO CN(C(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000911693190 710934168 /nfs/dbraw/zinc/93/41/68/710934168.db2.gz FQHVGHZIEPAGMA-GJZGRUSLSA-N 1 0 303.362 1.909 20 5 DDBDRO O=C(CN[C@H]1CC[NH2+]C12CCC2)Nc1ccccc1[N+](=O)[O-] ZINC000903465584 711134695 /nfs/dbraw/zinc/13/46/95/711134695.db2.gz KGAWIEUWDUPUAN-ZDUSSCGKSA-N 1 0 304.350 1.408 20 5 DDBDRO O=C(NCCNc1ccccc1[N+](=O)[O-])C1=CCC[NH2+]CC1 ZINC000912114992 711179433 /nfs/dbraw/zinc/17/94/33/711179433.db2.gz YZDZABWCJZMOCF-UHFFFAOYSA-N 1 0 304.350 1.433 20 5 DDBDRO [NH3+][C@@H]1CN(Cc2cccnc2[N+](=O)[O-])CC[C@H]1C(F)(F)F ZINC000903541637 711180270 /nfs/dbraw/zinc/18/02/70/711180270.db2.gz NFBHNXACHBAVKC-NXEZZACHSA-N 1 0 304.272 1.701 20 5 DDBDRO CC1(C)CN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@@H]1[NH3+] ZINC000903556441 711192973 /nfs/dbraw/zinc/19/29/73/711192973.db2.gz ZOFUHZVUBXJREI-KBPBESRZSA-N 1 0 318.377 1.369 20 5 DDBDRO C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000913538590 713249350 /nfs/dbraw/zinc/24/93/50/713249350.db2.gz FBZXNMBONSOCOM-GFUWMAFRSA-N 1 0 301.346 1.913 20 5 DDBDRO C[C@H]1[C@H](Nc2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)CC[N@@H+]1C ZINC000895737461 711590899 /nfs/dbraw/zinc/59/08/99/711590899.db2.gz VRHXZQUCZAELLD-VHSXEESVSA-N 1 0 319.365 1.290 20 5 DDBDRO Cc1cc(C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCN2C)cc([N+](=O)[O-])c1 ZINC000896568489 711754437 /nfs/dbraw/zinc/75/44/37/711754437.db2.gz NLSJDHOVGYFGJI-DOMZBBRYSA-N 1 0 320.393 1.267 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC000904421066 711855852 /nfs/dbraw/zinc/85/58/52/711855852.db2.gz NKAAOTSMLYKXES-HNNXBMFYSA-N 1 0 320.349 1.963 20 5 DDBDRO COC[C@@H]1C[NH2+]CCN1C(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000904443289 711859421 /nfs/dbraw/zinc/85/94/21/711859421.db2.gz FULAYGLKEUASAV-LBPRGKRZSA-N 1 0 322.365 1.664 20 5 DDBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@H](O)CC2(CO)CCCC2)c1 ZINC000905065876 711925972 /nfs/dbraw/zinc/92/59/72/711925972.db2.gz MJKZIAVHWLRDJO-OAHLLOKOSA-N 1 0 308.378 1.988 20 5 DDBDRO CCC[C@H]([NH2+]CC[N+](=O)[O-])C(=O)N1CCc2sccc2C1 ZINC000905088431 711932560 /nfs/dbraw/zinc/93/25/60/711932560.db2.gz IPZBYEBYDNXDTH-LBPRGKRZSA-N 1 0 311.407 1.668 20 5 DDBDRO CC(C)(C)OC(=O)N1CCC(C)(C[NH2+]CC[N+](=O)[O-])CC1 ZINC000905208852 711968571 /nfs/dbraw/zinc/96/85/71/711968571.db2.gz OOXLFGRDLGOWLM-UHFFFAOYSA-N 1 0 301.387 1.890 20 5 DDBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@@H](O)CC2(O)CCCC2)cc1 ZINC000905919196 712186428 /nfs/dbraw/zinc/18/64/28/712186428.db2.gz KZLVSBSEEMWYQD-HNNXBMFYSA-N 1 0 308.378 1.783 20 5 DDBDRO C[N@@H+]1CCC[C@@H](NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000918395545 713541515 /nfs/dbraw/zinc/54/15/15/713541515.db2.gz PUHJOSZXAQVVJL-GFCCVEGCSA-N 1 0 317.349 1.155 20 5 DDBDRO C[C@@H]([NH2+]CC(=O)N1CCOC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000930207748 713777900 /nfs/dbraw/zinc/77/79/00/713777900.db2.gz DKKGSLUCRQDINM-GFCCVEGCSA-N 1 0 321.377 1.883 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000931189145 714028880 /nfs/dbraw/zinc/02/88/80/714028880.db2.gz LIQIORIDKJIIBL-ZDUSSCGKSA-N 1 0 321.381 1.187 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCCC[C@H]1C[NH+](C)C ZINC000931905509 714209825 /nfs/dbraw/zinc/20/98/25/714209825.db2.gz JAZDQLVPIGGYQC-LBPRGKRZSA-N 1 0 309.370 1.042 20 5 DDBDRO C[NH2+][C@@H]1CCCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000923284216 714297271 /nfs/dbraw/zinc/29/72/71/714297271.db2.gz JKSPBXIGMOBMQG-TZMCWYRMSA-N 1 0 309.366 1.018 20 5 DDBDRO CCCC[NH+]1CCC(NC(=O)Cn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000932427877 714328144 /nfs/dbraw/zinc/32/81/44/714328144.db2.gz ZUZWNCDOADETLD-UHFFFAOYSA-N 1 0 323.397 1.480 20 5 DDBDRO C[C@@H]1[NH2+]C[C@H](C)N(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000923437193 714355040 /nfs/dbraw/zinc/35/50/40/714355040.db2.gz WNRGBTNLKQDSTA-PWNZVWSESA-N 1 0 323.393 1.405 20 5 DDBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)Cn1c(C)ncc1[N+](=O)[O-] ZINC000932966109 714445883 /nfs/dbraw/zinc/44/58/83/714445883.db2.gz ZHHZTMRCRPWFOJ-GFCCVEGCSA-N 1 0 309.370 1.090 20 5 DDBDRO CCC1(CC)CNC(=O)[C@@H]1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000933291453 714555953 /nfs/dbraw/zinc/55/59/53/714555953.db2.gz XBBOSQRZNLTABP-AWEZNQCLSA-N 1 0 321.377 1.868 20 5 DDBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Cn2c(C)ncc2[N+](=O)[O-])[C@H](C)C1 ZINC000933440022 714589805 /nfs/dbraw/zinc/58/98/05/714589805.db2.gz XDMBIQLHULEGAH-YPMHNXCESA-N 1 0 323.397 1.288 20 5 DDBDRO CC[C@@H](c1cccc([N+](=O)[O-])c1)N1C(=O)N[C@@H](C[NH+](C)C)C1=O ZINC000924774254 714661033 /nfs/dbraw/zinc/66/10/33/714661033.db2.gz AVIPKOAPCMMIGM-STQMWFEESA-N 1 0 320.349 1.528 20 5 DDBDRO C[N@@H+]1C[C@H](O)C[C@@H]1CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000924989615 714717866 /nfs/dbraw/zinc/71/78/66/714717866.db2.gz SSJCOIXUVJNSLS-RKDXNWHRSA-N 1 0 313.741 1.043 20 5 DDBDRO CCONC(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000934045516 714731698 /nfs/dbraw/zinc/73/16/98/714731698.db2.gz OTCZLXZYLRMMOB-UHFFFAOYSA-N 1 0 323.353 1.420 20 5 DDBDRO CO[C@@H]1CC[C@@H]1[N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000934117982 714746009 /nfs/dbraw/zinc/74/60/09/714746009.db2.gz QWTYMKBEIMBFFC-MBNYWOFBSA-N 1 0 310.350 1.444 20 5 DDBDRO O=C1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])CCCCCN1 ZINC000934161089 714757844 /nfs/dbraw/zinc/75/78/44/714757844.db2.gz MWNPTHAUVQLVSQ-UHFFFAOYSA-N 1 0 321.377 1.966 20 5 DDBDRO Cc1c(CN2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)cccc1[N+](=O)[O-] ZINC000934257981 714777790 /nfs/dbraw/zinc/77/77/90/714777790.db2.gz KSAIBTGNYBTRMG-SJORKVTESA-N 1 0 319.405 1.934 20 5 DDBDRO C[C@@H](NC(=O)N(C)CC1C[NH+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000925249899 714785238 /nfs/dbraw/zinc/78/52/38/714785238.db2.gz PXMDBZDYLVGQHL-LLVKDONJSA-N 1 0 306.366 1.859 20 5 DDBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1CC[N@@H+]1C ZINC000925427317 714853220 /nfs/dbraw/zinc/85/32/20/714853220.db2.gz ZXYAVHYVZNODNI-CQSZACIVSA-N 1 0 306.366 1.483 20 5 DDBDRO COc1ccc(CN[C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)cc1[N+](=O)[O-] ZINC000925600640 714897105 /nfs/dbraw/zinc/89/71/05/714897105.db2.gz HQJPAMISDUIYHS-SCYJSFNGSA-N 1 0 303.362 1.689 20 5 DDBDRO C[N@@H+]1CCO[C@@H]2CN(c3cnc4cc([N+](=O)[O-])ccc4n3)C[C@@H]21 ZINC001164669128 719379354 /nfs/dbraw/zinc/37/93/54/719379354.db2.gz QBKCUQXSDZXWPF-UONOGXRCSA-N 1 0 315.333 1.057 20 5 DDBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CCC[C@@H]([NH+](C)C)C1 ZINC001165040321 721893456 /nfs/dbraw/zinc/89/34/56/721893456.db2.gz VTGXGSILCSJKEL-LLVKDONJSA-N 1 0 322.365 1.697 20 5 DDBDRO O=C(NCCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1ccnnc1 ZINC001167277566 732887023 /nfs/dbraw/zinc/88/70/23/732887023.db2.gz TUSRKVPTYNDCAS-UHFFFAOYSA-N 1 0 315.333 1.295 20 5 DDBDRO CC(C)=CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001121087458 782351291 /nfs/dbraw/zinc/35/12/91/782351291.db2.gz JKLTTXNIVRNZFW-QAALLOGESA-N 1 0 307.394 1.635 20 5 DDBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cc[nH]c(=O)c1 ZINC001125606382 734767386 /nfs/dbraw/zinc/76/73/86/734767386.db2.gz ZZHHIOTUWADWQE-UHFFFAOYSA-N 1 0 316.317 1.215 20 5 DDBDRO CC[N@@H+]1CC[C@H](N(C)c2nnc([C@H](C)[N+](=O)[O-])n2C)[C@@H](C)C1 ZINC001121389459 782487611 /nfs/dbraw/zinc/48/76/11/782487611.db2.gz SBVMYGZGDPWITD-SRVKXCTJSA-N 1 0 310.402 1.319 20 5 DDBDRO O=C(N[C@@H]1[C@H]2C[N@H+](Cc3ccc(F)cc3)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025775185 736852751 /nfs/dbraw/zinc/85/27/51/736852751.db2.gz BNMINZODVNFTMS-QMIVOQANSA-N 1 0 319.336 1.037 20 5 DDBDRO CC[N@H+](C)[C@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2OC)C1 ZINC001181838909 743361418 /nfs/dbraw/zinc/36/14/18/743361418.db2.gz IDGHKMDVQAPZES-NSHDSACASA-N 1 0 307.350 1.770 20 5 DDBDRO CC[NH+](CC)CC[C@H](C)NC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC001184482551 744052111 /nfs/dbraw/zinc/05/21/11/744052111.db2.gz QDKVJVVFNJXVOT-JTQLQIEISA-N 1 0 310.354 1.546 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CC2CCC(F)CC2)c1 ZINC001120506658 744256098 /nfs/dbraw/zinc/25/60/98/744256098.db2.gz FIKCSRLTHCXUKA-GCZXYKMCSA-N 1 0 300.334 1.270 20 5 DDBDRO CS[C@H]1CN(c2nn(C)cc2[N+](=O)[O-])C[C@H]1[NH+]1CCCC1 ZINC001186174349 744357056 /nfs/dbraw/zinc/35/70/56/744357056.db2.gz CYJBGQHPHXUOFS-PWSUYJOCSA-N 1 0 311.411 1.344 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCC[C@@H]1CSCC[NH2+]1 ZINC001122083556 745127222 /nfs/dbraw/zinc/12/72/22/745127222.db2.gz RXZDKIICTBYVKC-LLVKDONJSA-N 1 0 309.391 1.728 20 5 DDBDRO C[C@H](O)[C@H](C)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001194723996 746449948 /nfs/dbraw/zinc/44/99/48/746449948.db2.gz PKXDHVRPLYZCIT-RYUDHWBXSA-N 1 0 307.350 1.122 20 5 DDBDRO CCN(CCNc1ccccc1[N+](=O)[O-])C(=O)CC[NH+](C)C ZINC001106946621 748219901 /nfs/dbraw/zinc/21/99/01/748219901.db2.gz LIPXIUZYNPJCAI-UHFFFAOYSA-N 1 0 308.382 1.807 20 5 DDBDRO COc1ncc([N+](=O)[O-])c(N2C[C@H](CC[NH3+])c3ccccc32)n1 ZINC001168543790 750535626 /nfs/dbraw/zinc/53/56/26/750535626.db2.gz DYMZLYLGNWNSCA-JTQLQIEISA-N 1 0 315.333 1.978 20 5 DDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2ccn(CC(F)(F)F)n2)C1 ZINC001168997519 762169949 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ZINC001169590136 762525039 /nfs/dbraw/zinc/52/50/39/762525039.db2.gz GYCWNNXJEJVZRI-UHFFFAOYSA-N 1 0 314.349 1.970 20 5 DDBDRO [NH3+]CCc1cn(-c2cnc(F)c([N+](=O)[O-])c2)c2cccnc12 ZINC001169710251 762615394 /nfs/dbraw/zinc/61/53/94/762615394.db2.gz HDVGHOLRMOFWLN-UHFFFAOYSA-N 1 0 301.281 1.969 20 5 DDBDRO C[NH+](C)C[C@]1(O)CCN(c2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000823684694 758342529 /nfs/dbraw/zinc/34/25/29/758342529.db2.gz XYSGJZDIPACYHP-CYBMUJFWSA-N 1 0 301.293 1.376 20 5 DDBDRO CCc1ccccc1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001020139304 760613047 /nfs/dbraw/zinc/61/30/47/760613047.db2.gz WZBUBEGWAVKNPO-KLHDSHLOSA-N 1 0 317.389 1.651 20 5 DDBDRO O=C(CCC(F)F)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001131404162 768116622 /nfs/dbraw/zinc/11/66/22/768116622.db2.gz PCWMFUFVHFZQOX-UHFFFAOYSA-N 1 0 307.322 1.907 20 5 DDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CC[NH+](C/C=C\Cl)CC2 ZINC001050520311 763699729 /nfs/dbraw/zinc/69/97/29/763699729.db2.gz OQUVMQFTRBEJCU-QBEVBOACSA-N 1 0 313.785 1.329 20 5 DDBDRO Cc1c(N[C@@H](C)[C@@H]2C[NH2+]CCO2)ccc([N+](=O)[O-])c1[N+](=O)[O-] ZINC001170565640 768164587 /nfs/dbraw/zinc/16/45/87/768164587.db2.gz CBLFTAPNKHXFAG-CABZTGNLSA-N 1 0 310.310 1.600 20 5 DDBDRO C[C@H](Nc1ccc2cnccc2c1[N+](=O)[O-])[C@@H]1C[NH2+]CCO1 ZINC001170568758 768180945 /nfs/dbraw/zinc/18/09/45/768180945.db2.gz HIOUUBZMOZAMLE-HZMBPMFUSA-N 1 0 302.334 1.932 20 5 DDBDRO COC(=O)c1c(C)c([N+](=O)[O-])ccc1N[C@H](C)[C@H]1C[NH2+]CCO1 ZINC001170574647 768225289 /nfs/dbraw/zinc/22/52/89/768225289.db2.gz NGUWGOQPWWDAIS-ZWNOBZJWSA-N 1 0 323.349 1.479 20 5 DDBDRO CC(=O)Nc1ccc(N[C@@H](C)[C@@H]2C[NH2+]CCO2)cc1[N+](=O)[O-] ZINC001170576394 768252820 /nfs/dbraw/zinc/25/28/20/768252820.db2.gz ZXYVDYQBMJYEGC-XPTSAGLGSA-N 1 0 308.338 1.342 20 5 DDBDRO CC(=O)Nc1ccc(N[C@H](C)[C@@H]2C[NH2+]CCO2)cc1[N+](=O)[O-] ZINC001170576393 768252862 /nfs/dbraw/zinc/25/28/62/768252862.db2.gz ZXYVDYQBMJYEGC-OTYXRUKQSA-N 1 0 308.338 1.342 20 5 DDBDRO CCC[C@H]([NH2+][C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])C(N)=O ZINC001170315975 766246749 /nfs/dbraw/zinc/24/67/49/766246749.db2.gz ZYRXCMIIEOYRBE-GWCFXTLKSA-N 1 0 309.366 1.778 20 5 DDBDRO Cc1ccc2c(ccnc2NCCN(C)CC[NH3+])c1[N+](=O)[O-] ZINC001170497325 767557299 /nfs/dbraw/zinc/55/72/99/767557299.db2.gz GWDCQWZMAIRVMH-UHFFFAOYSA-N 1 0 303.366 1.754 20 5 DDBDRO O=C(NCC[NH2+]Cc1ccccc1[N+](=O)[O-])[C@H]1C[C@H]2C[C@H]2C1 ZINC001132682031 769090066 /nfs/dbraw/zinc/09/00/66/769090066.db2.gz ITBSXKWDFQJMMG-WDNDVIMCSA-N 1 0 303.362 1.847 20 5 DDBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1nccs1 ZINC001135656682 771632570 /nfs/dbraw/zinc/63/25/70/771632570.db2.gz PFZTZUMWUOQMIN-UHFFFAOYSA-N 1 0 306.347 1.571 20 5 DDBDRO Cc1ccc(NCCNC(=O)C2([NH+](C)C)CCC2)c([N+](=O)[O-])c1 ZINC001093927205 775219606 /nfs/dbraw/zinc/21/96/06/775219606.db2.gz ZQVLWOSNWRQDLZ-UHFFFAOYSA-N 1 0 320.393 1.916 20 5 DDBDRO CC[NH+](CC)CC(=O)NCCN(C)c1ccc([N+](=O)[O-])c(C)n1 ZINC001100125596 775710457 /nfs/dbraw/zinc/71/04/57/775710457.db2.gz BGVQSWKWGXNYAX-UHFFFAOYSA-N 1 0 323.397 1.192 20 5 DDBDRO C[NH+]1CCC(C(=O)NCCCNc2ccc([N+](=O)[O-])cn2)CC1 ZINC001094471765 775926587 /nfs/dbraw/zinc/92/65/87/775926587.db2.gz OSWQSLDKGXMKJC-UHFFFAOYSA-N 1 0 321.381 1.250 20 5 DDBDRO CCC[N@H+](C)CCC(=O)NCCCNc1ccc([N+](=O)[O-])cn1 ZINC001094514428 775969736 /nfs/dbraw/zinc/96/97/36/775969736.db2.gz HREWFAWIDFAUPS-UHFFFAOYSA-N 1 0 323.397 1.640 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]CCN1CCOCC1)CC2 ZINC001172899420 776914890 /nfs/dbraw/zinc/91/48/90/776914890.db2.gz XLAAUNIWFGCACR-MRXNPFEDSA-N 1 0 319.405 1.764 20 5 DDBDRO O=C1C[C@@H](C[NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C(=O)N1 ZINC001172902968 776915734 /nfs/dbraw/zinc/91/57/34/776915734.db2.gz NQRJNEIMXOYUOX-STQMWFEESA-N 1 0 317.345 1.095 20 5 DDBDRO CN1CCO[C@H](C[NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172895215 776928290 /nfs/dbraw/zinc/92/82/90/776928290.db2.gz AYIGQSIEDYMMOK-NVXWUHKLSA-N 1 0 319.405 1.762 20 5 DDBDRO CSCC[C@H]([NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC001173221147 777053094 /nfs/dbraw/zinc/05/30/94/777053094.db2.gz KMXAGVFYIGLCHR-GWCFXTLKSA-N 1 0 311.407 1.722 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(NCCN(C)C(=O)C[NH+]2CCCC2)n1 ZINC001101633157 777329264 /nfs/dbraw/zinc/32/92/64/777329264.db2.gz AUWZIZRZAWQZAZ-UHFFFAOYSA-N 1 0 321.381 1.264 20 5 DDBDRO Cn1cc(CN2CCC([NH2+]C3CCOCC3)CC2)c([N+](=O)[O-])n1 ZINC001176105094 778049611 /nfs/dbraw/zinc/04/96/11/778049611.db2.gz FRIGJLDNJURLAK-UHFFFAOYSA-N 1 0 323.397 1.061 20 5 DDBDRO CC(C)(C)[NH+]1CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC1 ZINC001116792403 780560566 /nfs/dbraw/zinc/56/05/66/780560566.db2.gz QPLQSWDHNGZHPV-UHFFFAOYSA-N 1 0 308.338 1.252 20 5 DDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC001118265417 781079351 /nfs/dbraw/zinc/07/93/51/781079351.db2.gz ZBHNDJJMLJPFQL-HNNXBMFYSA-N 1 0 306.366 1.756 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)NCC1([NH+](C)C)CCCC1 ZINC001119819155 781629514 /nfs/dbraw/zinc/62/95/14/781629514.db2.gz XOPNOEDGRCMXBM-UHFFFAOYSA-N 1 0 309.370 1.090 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](CC[NH+](C)C)C1 ZINC001154642388 861310011 /nfs/dbraw/zinc/31/00/11/861310011.db2.gz DTNIZZMCGDVXAJ-GFCCVEGCSA-N 1 0 306.366 1.712 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@H](CC[NH+](C)C)C1 ZINC001154642389 861311674 /nfs/dbraw/zinc/31/16/74/861311674.db2.gz DTNIZZMCGDVXAJ-LBPRGKRZSA-N 1 0 306.366 1.712 20 5 DDBDRO C[NH+](C)C[C@H]1COCCN1c1cc(Cl)ncc1[N+](=O)[O-] ZINC001154970295 861611260 /nfs/dbraw/zinc/61/12/60/861611260.db2.gz VKSVCUKEMBOYSR-VIFPVBQESA-N 1 0 300.746 1.410 20 5 DDBDRO Cc1ccncc1C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCC1 ZINC001326821587 861632165 /nfs/dbraw/zinc/63/21/65/861632165.db2.gz GQPZVNPSQCYDMD-ZIAGYGMSSA-N 1 0 318.377 1.184 20 5 DDBDRO COc1cc(-n2cncc2C2CC[NH2+]CC2)ncc1[N+](=O)[O-] ZINC001155057579 861689810 /nfs/dbraw/zinc/68/98/10/861689810.db2.gz KGVRNMMVUIDSLO-UHFFFAOYSA-N 1 0 303.322 1.651 20 5 DDBDRO CCOC(=O)c1c(C[NH3+])ncn1-c1nccc(C)c1[N+](=O)[O-] ZINC001155078776 861708472 /nfs/dbraw/zinc/70/84/72/861708472.db2.gz WBNHWLVGEJVTIU-UHFFFAOYSA-N 1 0 305.294 1.119 20 5 DDBDRO CCO[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2NC)C[C@H]1C[NH3+] ZINC001326936400 861730689 /nfs/dbraw/zinc/73/06/89/861730689.db2.gz SRAUACSDPDKEPI-QMTHXVAHSA-N 1 0 322.365 1.072 20 5 DDBDRO Cc1c(C)c(N2CCC[C@@H](N3CC(C[NH3+])C3)C2)ncc1[N+](=O)[O-] ZINC001155375115 862007349 /nfs/dbraw/zinc/00/73/49/862007349.db2.gz AKLSQHFXWHPEQS-CQSZACIVSA-N 1 0 319.409 1.466 20 5 DDBDRO CC(C)OCC(=O)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001155383622 862022566 /nfs/dbraw/zinc/02/25/66/862022566.db2.gz IOVWZXZYWUXUBC-UHFFFAOYSA-N 1 0 309.366 1.616 20 5 DDBDRO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1NCC[C@@H](C)[NH3+] ZINC001159774770 850731119 /nfs/dbraw/zinc/73/11/19/850731119.db2.gz QHXIHGSZPJWNPM-SSDOTTSWSA-N 1 0 316.745 1.969 20 5 DDBDRO O=C(CCc1cc(F)ccc1[N+](=O)[O-])N1CC[N@@H+]2CC[C@H]1C2 ZINC000821021661 850738690 /nfs/dbraw/zinc/73/86/90/850738690.db2.gz QLUXEZAWGLXUKY-ZDUSSCGKSA-N 1 0 307.325 1.583 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])c(NC[C@@H]2OC[C@H]3C[NH2+]CC[C@H]32)n1 ZINC001155527810 862195890 /nfs/dbraw/zinc/19/58/90/862195890.db2.gz QDZDTXCNXNPYEU-UPJWGTAASA-N 1 0 306.366 1.643 20 5 DDBDRO O=C1C[C@@H]2[NH2+]CC[C@@]2(Nc2ccc3ccc4cccnc4c3n2)N1 ZINC001155571847 862238058 /nfs/dbraw/zinc/23/80/58/862238058.db2.gz UNHPSGOGMWDPIK-SCLBCKFNSA-N 1 0 319.368 1.773 20 5 DDBDRO COc1nc(NC[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)ccc1[N+](=O)[O-] ZINC001155591928 862266383 /nfs/dbraw/zinc/26/63/83/862266383.db2.gz LGVNTGZVYAHNBI-IAQYHMDHSA-N 1 0 322.365 1.569 20 5 DDBDRO Cc1cc(N[C@H]2C[NH2+][C@@H]3CCO[C@@H]32)nc2ccc([N+](=O)[O-])cc12 ZINC001155637322 862324261 /nfs/dbraw/zinc/32/42/61/862324261.db2.gz TUMGUSLOIMFSAY-YCPHGPKFSA-N 1 0 314.345 1.993 20 5 DDBDRO C[C@@H]1CN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC001122219932 858717777 /nfs/dbraw/zinc/71/77/77/858717777.db2.gz IZPWWWQZDVCAGD-ZYHUDNBSSA-N 1 0 309.341 1.720 20 5 DDBDRO C[C@H](CNC(=O)[C@@H](F)[C@H]1CC[NH2+]C1)c1ccccc1[N+](=O)[O-] ZINC001122353764 858774342 /nfs/dbraw/zinc/77/43/42/858774342.db2.gz KOGJYPHWBRMKLZ-SUNKGSAMSA-N 1 0 309.341 1.762 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCCNC(=O)C=C1CCC1 ZINC001156453962 863062353 /nfs/dbraw/zinc/06/23/53/863062353.db2.gz LZHDJYRKJRMMJF-UHFFFAOYSA-N 1 0 307.354 1.035 20 5 DDBDRO CC[C@H](C)[NH+]1CCN(c2nnc(C[N+](=O)[O-])n2CC(C)C)CC1 ZINC001122817781 858978276 /nfs/dbraw/zinc/97/82/76/858978276.db2.gz PROATEBWRFEKHO-ZDUSSCGKSA-N 1 0 324.429 1.631 20 5 DDBDRO COC(=O)CCCCCCOC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001224497236 881421290 /nfs/dbraw/zinc/42/12/90/881421290.db2.gz RNLHTQYYHXMUOY-CYBMUJFWSA-N 1 0 304.407 1.110 20 5 DDBDRO Cc1ncc(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)[nH]1 ZINC001124818871 859821914 /nfs/dbraw/zinc/82/19/14/859821914.db2.gz NAXLWBLMHGFFSI-UHFFFAOYSA-N 1 0 303.322 1.146 20 5 DDBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CCC[C@@H]([NH3+])[C@H]1C ZINC001157742556 864092292 /nfs/dbraw/zinc/09/22/92/864092292.db2.gz FFUGBAABLNDOTF-BXKDBHETSA-N 1 0 308.338 1.483 20 5 DDBDRO Cc1cccc(C)c1C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157761656 864111215 /nfs/dbraw/zinc/11/12/15/864111215.db2.gz WIINNDHQAIKZMP-UKRRQHHQSA-N 1 0 305.378 1.565 20 5 DDBDRO COc1cnc(N2CCCc3ccc(C[NH3+])nc32)c([N+](=O)[O-])c1 ZINC001158649837 864786646 /nfs/dbraw/zinc/78/66/46/864786646.db2.gz QNEDLNSXYVPWEQ-UHFFFAOYSA-N 1 0 315.333 1.936 20 5 DDBDRO C[N@H+](C1CN(c2cc(Cl)ncc2[N+](=O)[O-])C1)[C@H]1CCOC1 ZINC001158725827 864857085 /nfs/dbraw/zinc/85/70/85/864857085.db2.gz NSDUFRXZJPCZIO-VIFPVBQESA-N 1 0 312.757 1.553 20 5 DDBDRO [NH3+]Cc1ccc2nnn(-c3ncnc4cc([N+](=O)[O-])ccc43)c2c1 ZINC001159029688 865058259 /nfs/dbraw/zinc/05/82/59/865058259.db2.gz UVEWGDHFGUMLEF-UHFFFAOYSA-N 1 0 321.300 1.731 20 5 DDBDRO O=C(NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccns1 ZINC001159113991 865112766 /nfs/dbraw/zinc/11/27/66/865112766.db2.gz VOJYRKDXFNBPGX-UHFFFAOYSA-N 1 0 320.374 1.961 20 5 DDBDRO C[C@H](Nc1nccc2cc([N+](=O)[O-])ccc21)[C@@H]1C[NH2+]CCO1 ZINC001159499649 865353648 /nfs/dbraw/zinc/35/36/48/865353648.db2.gz BBJQJSCILDQGAE-HZMBPMFUSA-N 1 0 302.334 1.932 20 5 DDBDRO [NH3+]Cc1cc2ccncc2n1-c1ncc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001160959924 866223455 /nfs/dbraw/zinc/22/34/55/866223455.db2.gz VFZJBCHZNIUMGY-UHFFFAOYSA-N 1 0 314.261 1.696 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCC[C@H]2CCC[N@@H+]2C)n1 ZINC001160969371 866232154 /nfs/dbraw/zinc/23/21/54/866232154.db2.gz WJGIHQROOSZJBC-SNVBAGLBSA-N 1 0 308.338 1.673 20 5 DDBDRO [NH3+]C[C@]1(C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)CCCOC1 ZINC001333336091 866644160 /nfs/dbraw/zinc/64/41/60/866644160.db2.gz MZVXBBPSPGJYEJ-OAHLLOKOSA-N 1 0 305.334 1.193 20 5 DDBDRO CC[NH+]1CCN([C@@H](C)CNc2c(C)cncc2[N+](=O)[O-])CC1 ZINC001320589329 866864012 /nfs/dbraw/zinc/86/40/12/866864012.db2.gz KTLUUKNKMNFQER-ZDUSSCGKSA-N 1 0 307.398 1.158 20 5 DDBDRO CCN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)c1cnco1 ZINC001320808920 867044989 /nfs/dbraw/zinc/04/49/89/867044989.db2.gz COGZVCCCCDAYHN-UHFFFAOYSA-N 1 0 318.333 1.835 20 5 DDBDRO CCN1CC[NH+](C[C@@H](C)CNc2c(C)cncc2[N+](=O)[O-])CC1 ZINC001321133453 867341963 /nfs/dbraw/zinc/34/19/63/867341963.db2.gz MCCOIPOYWSTCRK-ZDUSSCGKSA-N 1 0 321.425 1.406 20 5 DDBDRO O=[N+]([O-])c1cnc(N[C@H]2C[C@]23CCCOC3)nc1C1C[NH2+]C1 ZINC001162380749 867500571 /nfs/dbraw/zinc/50/05/71/867500571.db2.gz LVGPZUMTMRPAMV-FZMZJTMJSA-N 1 0 305.338 1.053 20 5 DDBDRO CCOC(=O)c1cnc(N[C@H]2CCC[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC001162390982 867506057 /nfs/dbraw/zinc/50/60/57/867506057.db2.gz KSMMNJZOGZPERE-QWRGUYRKSA-N 1 0 308.338 1.848 20 5 DDBDRO O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1NC[C@@H]1CC[NH2+]C[C@@H]1F ZINC001162805100 867838269 /nfs/dbraw/zinc/83/82/69/867838269.db2.gz JMNDFBIULTUGRK-YUMQZZPRSA-N 1 0 304.709 1.241 20 5 DDBDRO O=[N+]([O-])c1cc(Cl)[n+]([O-])c(NC[C@@H]2CC[NH2+]C[C@@H]2F)c1 ZINC001162805533 867838912 /nfs/dbraw/zinc/83/89/12/867838912.db2.gz WIVGLELKSFQHOL-CBAPKCEASA-N 1 0 304.709 1.241 20 5 DDBDRO [NH3+][C@H]1Cc2ccccc2N(c2c(F)c([N+](=O)[O-])cc[n+]2[O-])C1 ZINC001162844299 867861001 /nfs/dbraw/zinc/86/10/01/867861001.db2.gz LZQHRKNQKBAIKW-JTQLQIEISA-N 1 0 304.281 1.389 20 5 DDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@@H]([NH+]2CCCC2)C1 ZINC001162913803 867914982 /nfs/dbraw/zinc/91/49/82/867914982.db2.gz FDFFDRQWBFQWQR-KLPPZKSPSA-N 1 0 304.350 1.534 20 5 DDBDRO COCC(=O)NCCC1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001163029783 868016654 /nfs/dbraw/zinc/01/66/54/868016654.db2.gz IXEDCFFFQACBPF-UHFFFAOYSA-N 1 0 321.377 1.617 20 5 DDBDRO CN(C)c1ccc(NCC[C@@H]2CCOC23C[NH2+]C3)c([N+](=O)[O-])c1 ZINC001163095939 868090593 /nfs/dbraw/zinc/09/05/93/868090593.db2.gz YXZXUDIERDWSBI-GFCCVEGCSA-N 1 0 320.393 1.841 20 5 DDBDRO O=[N+]([O-])c1ccc(N[C@@H]2C[NH2+][C@@H]3COC[C@H]23)c2ccncc21 ZINC001163141839 868153978 /nfs/dbraw/zinc/15/39/78/868153978.db2.gz ZYVRVGRTWOJVMP-MRVWCRGKSA-N 1 0 300.318 1.542 20 5 DDBDRO CC(C)(C)c1cnc(NC[C@]23C[NH2+]C[C@H]2COC3)c([N+](=O)[O-])c1 ZINC001163147861 868159859 /nfs/dbraw/zinc/15/98/59/868159859.db2.gz PVZPWKZRJDIMTM-LRDDRELGSA-N 1 0 320.393 1.935 20 5 DDBDRO COc1cc(C)c([N+](=O)[O-])cc1NC[C@]12C[NH2+]C[C@H]1COC2 ZINC001163155083 868167540 /nfs/dbraw/zinc/16/75/40/868167540.db2.gz XBRFIFXYXJVHJB-NHYWBVRUSA-N 1 0 307.350 1.560 20 5 DDBDRO COc1nc(N[C@H](C[NH3+])c2ccccc2)nc(OC)c1[N+](=O)[O-] ZINC001163293893 868318239 /nfs/dbraw/zinc/31/82/39/868318239.db2.gz AKVHHBRMFZZOHF-SNVBAGLBSA-N 1 0 319.321 1.514 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@H](C[NH3+])c2ccccc2)n1 ZINC001163296197 868320262 /nfs/dbraw/zinc/32/02/62/868320262.db2.gz BAXJRISNHBTQGH-GFCCVEGCSA-N 1 0 316.317 1.888 20 5 DDBDRO Cc1c(F)cnc(N[C@@H]2CCO[C@@]3(CC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC001163310372 868338885 /nfs/dbraw/zinc/33/88/85/868338885.db2.gz LAEOGUJTCNVIJG-YGRLFVJLSA-N 1 0 310.329 1.760 20 5 DDBDRO C[C@@H]1C[NH2+]C[C@H]1CNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC001335954240 868643756 /nfs/dbraw/zinc/64/37/56/868643756.db2.gz LNAYPGOGGMGCOK-YPMHNXCESA-N 1 0 306.366 1.292 20 5 DDBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CCC[N@H+](CC)CC1 ZINC001163773554 868693747 /nfs/dbraw/zinc/69/37/47/868693747.db2.gz FEKCUXDYJLTVBP-UHFFFAOYSA-N 1 0 322.365 1.699 20 5 DDBDRO C[C@H]1CC[C@H](C[NH3+])N(c2cc([N+](=O)[O-])cc(Cl)[n+]2[O-])C1 ZINC001164073638 868925161 /nfs/dbraw/zinc/92/51/61/868925161.db2.gz NKJGMDKQNIRWOE-DTWKUNHWSA-N 1 0 300.746 1.445 20 5 DDBDRO Cc1cnc(NCC2([NH+](C)C)CCN(C)CC2)cc1[N+](=O)[O-] ZINC001164213253 869022268 /nfs/dbraw/zinc/02/22/68/869022268.db2.gz QXKGRGMERLCODD-UHFFFAOYSA-N 1 0 307.398 1.736 20 5 DDBDRO O=C(NCCC1(C[NH2+]Cc2ccccc2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001164490437 869229678 /nfs/dbraw/zinc/22/96/78/869229678.db2.gz JPVPPLWHIBGBMK-HUUCEWRRSA-N 1 0 317.389 1.728 20 5 DDBDRO [NH3+]CCc1nccn1-c1nc(C2CC2)nc(Cl)c1[N+](=O)[O-] ZINC001166276079 869929684 /nfs/dbraw/zinc/92/96/84/869929684.db2.gz CFPQGXLQLSXBBO-UHFFFAOYSA-N 1 0 308.729 1.603 20 5 DDBDRO [NH3+]CCc1nccn1-c1ncnc2cc(F)c([N+](=O)[O-])cc21 ZINC001166276873 869931469 /nfs/dbraw/zinc/93/14/69/869931469.db2.gz MLPJYARVIXGMCJ-UHFFFAOYSA-N 1 0 302.269 1.364 20 5 DDBDRO CC[C@H](C)NC(=O)[C@@H](C)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001338420844 869971106 /nfs/dbraw/zinc/97/11/06/869971106.db2.gz BZAVBYXQDHWIJG-MISXGVKJSA-N 1 0 309.366 1.521 20 5 DDBDRO N=c1sc2c(n1-c1ncc(Cl)cc1[N+](=O)[O-])CC[NH2+]C2 ZINC001166860113 870323932 /nfs/dbraw/zinc/32/39/32/870323932.db2.gz PSEPRGAATZZVGH-UHFFFAOYSA-N 1 0 311.754 1.621 20 5 DDBDRO COC(=O)C1(Nc2cc([N+](=O)[O-])ccc2Cl)CC[NH2+]CC1 ZINC001166946870 870407307 /nfs/dbraw/zinc/40/73/07/870407307.db2.gz CKEXIRVQQXPNQX-UHFFFAOYSA-N 1 0 313.741 1.955 20 5 DDBDRO CN(CCNC(=O)C[NH+]1CCCC1)Cc1ccccc1[N+](=O)[O-] ZINC001317469514 870889792 /nfs/dbraw/zinc/88/97/92/870889792.db2.gz GDFZDVLAAKVSGT-UHFFFAOYSA-N 1 0 320.393 1.239 20 5 DDBDRO CCOc1ccc(C(=O)N2CC[C@H](CC[NH3+])C2)cc1[N+](=O)[O-] ZINC001341123870 871511993 /nfs/dbraw/zinc/51/19/93/871511993.db2.gz QTIWKOJHLLACBQ-NSHDSACASA-N 1 0 307.350 1.804 20 5 DDBDRO C[C@H](CNC(=O)[C@@]1(C)C[NH2+]CCO1)c1ccccc1[N+](=O)[O-] ZINC001341318397 871604944 /nfs/dbraw/zinc/60/49/44/871604944.db2.gz PAIGBYMEXKZDDL-IAQYHMDHSA-N 1 0 307.350 1.193 20 5 DDBDRO C[C@H](c1nnc(N2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)n1C)[N+](=O)[O-] ZINC001341358303 871619693 /nfs/dbraw/zinc/61/96/93/871619693.db2.gz FWPRVXHQVVBMAA-MROQNXINSA-N 1 0 322.413 1.319 20 5 DDBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)Nc1c(C)cncc1[N+](=O)[O-] ZINC001310518887 871638799 /nfs/dbraw/zinc/63/87/99/871638799.db2.gz LLCLDSTWQLNPBN-LLVKDONJSA-N 1 0 309.370 1.572 20 5 DDBDRO O=C(NCC[C@@H]1CSCC[NH2+]1)c1ccc([N+](=O)[O-])cc1F ZINC001342009504 871948118 /nfs/dbraw/zinc/94/81/18/871948118.db2.gz VTZUNGDMUGAPGW-SECBINFHSA-N 1 0 313.354 1.559 20 5 DDBDRO COc1cccc(C(=O)N2CC[C@@H](C[NH3+])[C@H](C)C2)c1[N+](=O)[O-] ZINC001342646942 872313155 /nfs/dbraw/zinc/31/31/55/872313155.db2.gz WEPSXZULCBIVBK-MNOVXSKESA-N 1 0 307.350 1.660 20 5 DDBDRO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001342940850 872443569 /nfs/dbraw/zinc/44/35/69/872443569.db2.gz HBQHYRFJYWFRFQ-QPGZIWCOSA-N 1 0 301.346 1.707 20 5 DDBDRO CN1CC[NH+](CCCO[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001206581156 872449073 /nfs/dbraw/zinc/44/90/73/872449073.db2.gz BGVPYZZLPJOQLZ-QGZVFWFLSA-N 1 0 319.405 1.716 20 5 DDBDRO O=C(NCc1ccccc1[N+](=O)[O-])[C@@H]1C[NH2+]CCC12CCC2 ZINC001343146840 872518473 /nfs/dbraw/zinc/51/84/73/872518473.db2.gz CBGKRKRHXVANSM-ZDUSSCGKSA-N 1 0 303.362 1.991 20 5 DDBDRO C[NH2+]C[C@@H](O)[C@@H](C)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC001343188397 872530178 /nfs/dbraw/zinc/53/01/78/872530178.db2.gz PYMCTCNQFWSMDO-IUODEOHRSA-N 1 0 323.393 1.548 20 5 DDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC(OC2C[NH2+]C2)CC1 ZINC001343376026 872601544 /nfs/dbraw/zinc/60/15/44/872601544.db2.gz RQLGZGBASKYLPJ-UHFFFAOYSA-N 1 0 319.361 1.117 20 5 DDBDRO COc1ccc(CC(=O)NC[C@@H]2C[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC001344624398 873059313 /nfs/dbraw/zinc/05/93/13/873059313.db2.gz SNGKAFYPLFCDEB-PWSUYJOCSA-N 1 0 307.350 1.118 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cccc2cc(O)ccc21 ZINC001226858341 882690561 /nfs/dbraw/zinc/69/05/61/882690561.db2.gz JMSKLYBPNPQLSK-CQSZACIVSA-O 1 0 304.366 1.908 20 5 DDBDRO CCO[C@H](CNC(=O)Nc1cc(C)cc([N+](=O)[O-])c1)C[NH+](C)C ZINC001345954690 873570094 /nfs/dbraw/zinc/57/00/94/873570094.db2.gz XRZJFQQGQQBHQS-CQSZACIVSA-N 1 0 324.381 1.991 20 5 DDBDRO COC(=O)[C@@H]1CCC[C@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC001346243525 873663922 /nfs/dbraw/zinc/66/39/22/873663922.db2.gz GPYUVJBVCADDMU-ZIAGYGMSSA-N 1 0 308.334 1.905 20 5 DDBDRO Cn1c2cc(NCCC[NH+](C)C)c([N+](=O)[O-])cc2n(C)c1=O ZINC001347856119 874292541 /nfs/dbraw/zinc/29/25/41/874292541.db2.gz PZXCDDQDPLFJAW-UHFFFAOYSA-N 1 0 307.354 1.149 20 5 DDBDRO [NH3+]CCCSCCC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001353323632 877255471 /nfs/dbraw/zinc/25/54/71/877255471.db2.gz FTOPUQZCZYGLQI-UHFFFAOYSA-N 1 0 323.418 1.952 20 5 DDBDRO Cc1noc2nc(O[C@@H](C[N+](=O)[O-])C3CC3)c3c(c12)CC[NH2+]C3 ZINC001218327603 877454655 /nfs/dbraw/zinc/45/46/55/877454655.db2.gz CANAHVIANWGRKM-LBPRGKRZSA-N 1 0 318.333 1.611 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2C[C@@H]2Cc2ccccc2)c1 ZINC001356609916 879129826 /nfs/dbraw/zinc/12/98/26/879129826.db2.gz UJLGBXAJKVGVQR-NUEKZKHPSA-N 1 0 316.361 1.373 20 5 DDBDRO Cc1c(CC(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)cccc1[N+](=O)[O-] ZINC001358274085 880385989 /nfs/dbraw/zinc/38/59/89/880385989.db2.gz HTFJILRLTQJDFM-UONOGXRCSA-N 1 0 303.362 1.514 20 5 DDBDRO CC(=O)O[C@@H]1C[C@@H]2C[C@H](Oc3cnccc3[N+](=O)[O-])C[C@H]1[N@@H+]2C ZINC001228882864 883712394 /nfs/dbraw/zinc/71/23/94/883712394.db2.gz QYKDPVXUGPEZAB-CDGCEXEKSA-N 1 0 321.333 1.535 20 5 DDBDRO CO[C@@H]1CC[N@H+](CCOc2cc(Cl)cnc2[N+](=O)[O-])C1 ZINC001233715614 887250094 /nfs/dbraw/zinc/25/00/94/887250094.db2.gz IBDOOHNONOKSTF-SNVBAGLBSA-N 1 0 301.730 1.743 20 5 DDBDRO C[C@@H](C[N+](C)(C)C)Oc1nc2cc(S(C)(=O)=O)ccc2o1 ZINC001234580579 888114916 /nfs/dbraw/zinc/11/49/16/888114916.db2.gz GHXNGGZBQDTOGW-JTQLQIEISA-N 1 0 313.399 1.705 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N[C@@H]2CC23C[NH2+]C3)c1F ZINC001246444824 892630269 /nfs/dbraw/zinc/63/02/69/892630269.db2.gz LWZCPPWOVNXYPA-TVQRCGJNSA-N 1 0 309.341 1.625 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3COC[C@@H]3F)CC2)cc1 ZINC001254472995 896456497 /nfs/dbraw/zinc/45/64/97/896456497.db2.gz YVZIIDOYWCGBCH-LSDHHAIUSA-N 1 0 309.341 1.890 20 5 DDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCC2(CNC(=O)N2)CC1 ZINC001254563675 896503110 /nfs/dbraw/zinc/50/31/10/896503110.db2.gz BAPHPGYEQNBVMQ-LBPRGKRZSA-N 1 0 318.377 1.673 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@H]1CCN(C3COC3)C1)C2 ZINC001254573867 896508529 /nfs/dbraw/zinc/50/85/29/896508529.db2.gz DEAUCGXMAGPRPU-UONOGXRCSA-N 1 0 303.362 1.125 20 5 DDBDRO O=c1[nH][nH]cc1CCC[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254573338 896509059 /nfs/dbraw/zinc/50/90/59/896509059.db2.gz XYVDBFLKCMEKNX-DGCLKSJQSA-N 1 0 302.334 1.164 20 5 DDBDRO NC(=O)NC1CC[NH+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254598667 896523970 /nfs/dbraw/zinc/52/39/70/896523970.db2.gz LMIBOSWGFIVNAC-AWEZNQCLSA-N 1 0 304.350 1.195 20 5 DDBDRO CS(=O)(=O)[C@H]1CCCN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254606847 896528249 /nfs/dbraw/zinc/52/82/49/896528249.db2.gz IQMCOVRGJGETKP-CABCVRRESA-N 1 0 324.402 1.571 20 5 DDBDRO COC(=O)[C@@H]1C[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCCO1 ZINC001254610912 896531501 /nfs/dbraw/zinc/53/15/01/896531501.db2.gz MTWOTTIBRBDBGM-CABCVRRESA-N 1 0 320.345 1.326 20 5 DDBDRO O=[N+]([O-])CCc1nnc([C@@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC001255363595 896864973 /nfs/dbraw/zinc/86/49/73/896864973.db2.gz GIJGQTPZOOSWTO-CYBMUJFWSA-N 1 0 302.334 1.878 20 5 DDBDRO COc1cc(N2CCC([NH2+][C@@H](C)CCO)CC2)ccc1[N+](=O)[O-] ZINC001256086366 897279435 /nfs/dbraw/zinc/27/94/35/897279435.db2.gz WAJYFEKHMFFDFH-LBPRGKRZSA-N 1 0 323.393 1.933 20 5 DDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC001262009405 899896194 /nfs/dbraw/zinc/89/61/94/899896194.db2.gz VWJHJBHOCATQDV-CYBMUJFWSA-N 1 0 304.350 1.651 20 5 DDBDRO C[C@@H]1CN(CC[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@H](C)CO1 ZINC001262569068 900252039 /nfs/dbraw/zinc/25/20/39/900252039.db2.gz PCLITFHSACIPMV-IOASZLSFSA-N 1 0 323.393 1.327 20 5 DDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCC(OC2C[NH2+]C2)CC1 ZINC001263281685 900555357 /nfs/dbraw/zinc/55/53/57/900555357.db2.gz AOPMMKLQVVAYQM-UHFFFAOYSA-N 1 0 319.361 1.117 20 5 DDBDRO Cc1c(NC(=O)CC[N@H+]2CC[C@@H](C)[C@H]2CO)cccc1[N+](=O)[O-] ZINC000248880788 282114562 /nfs/dbraw/zinc/11/45/62/282114562.db2.gz DCRGXLTXMQCLSY-IAQYHMDHSA-N 1 0 321.377 1.935 20 5 DDBDRO COC[C@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)[C@@H]1CCCO1 ZINC000278683193 214323439 /nfs/dbraw/zinc/32/34/39/214323439.db2.gz PGKWJLKQKLIDAP-JSGCOSHPSA-N 1 0 310.350 1.887 20 5 DDBDRO CC[C@@]1(O)CC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000614663076 361970795 /nfs/dbraw/zinc/97/07/95/361970795.db2.gz VRGZQSWUKOJGIO-OAHLLOKOSA-N 1 0 308.334 1.713 20 5 DDBDRO O=[N+]([O-])c1ccc(OCC[N@H+]2CC[C@@](O)(C(F)F)C2)cc1 ZINC000451429759 231092364 /nfs/dbraw/zinc/09/23/64/231092364.db2.gz MBKDLQLZHJNEJX-ZDUSSCGKSA-N 1 0 302.277 1.676 20 5 DDBDRO CO[C@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H]1C ZINC000451578522 231129682 /nfs/dbraw/zinc/12/96/82/231129682.db2.gz XKIGOQXZHCKPGW-YGRLFVJLSA-N 1 0 307.350 1.551 20 5 DDBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])c(F)cc1N)C[NH+]1CCCC1 ZINC000279262781 214747156 /nfs/dbraw/zinc/74/71/56/214747156.db2.gz UFSJZFDHEWIZDW-JTQLQIEISA-N 1 0 324.356 1.778 20 5 DDBDRO COC[C@@H]1CCCC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000452028475 231274109 /nfs/dbraw/zinc/27/41/09/231274109.db2.gz HFXUIFUSYPTRKX-LSDHHAIUSA-N 1 0 324.377 1.835 20 5 DDBDRO CC[C@@H]1[C@@H](CO)CC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000451250277 529480956 /nfs/dbraw/zinc/48/09/56/529480956.db2.gz DEJJOPRJGSIONL-IUODEOHRSA-N 1 0 321.377 1.650 20 5 DDBDRO CC[C@@]1(O)CC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000495250806 529573925 /nfs/dbraw/zinc/57/39/25/529573925.db2.gz JKFUQLFBXJVLEQ-UKRRQHHQSA-N 1 0 310.350 1.181 20 5 DDBDRO COC(=O)[C@H](C)C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C1CC1 ZINC000090525103 185300429 /nfs/dbraw/zinc/30/04/29/185300429.db2.gz PQIDZLJHTAFJDT-LLVKDONJSA-N 1 0 323.349 1.030 20 5 DDBDRO Cc1nn(C)c(C(=O)NC[C@H]2[NH2+]CCCC2(C)C)c1[N+](=O)[O-] ZINC000430713555 282255766 /nfs/dbraw/zinc/25/57/66/282255766.db2.gz AGMOKZVCZYVRBN-SNVBAGLBSA-N 1 0 309.370 1.145 20 5 DDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](C)CCC[NH3+] ZINC000415780189 529730228 /nfs/dbraw/zinc/73/02/28/529730228.db2.gz KFOXHUWWGQIUNP-JTQLQIEISA-N 1 0 322.365 1.339 20 5 DDBDRO COC[C@@H]([NH2+]CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C1CC1 ZINC000181581032 199321859 /nfs/dbraw/zinc/32/18/59/199321859.db2.gz PKHSOVQILCBWRZ-CYBMUJFWSA-N 1 0 323.349 1.557 20 5 DDBDRO Cc1ccc(S(=O)(=O)N2CC[C@](C)(C[NH3+])C2)cc1[N+](=O)[O-] ZINC000261609218 282288228 /nfs/dbraw/zinc/28/82/28/282288228.db2.gz DPMNXIVIGWXQGY-CYBMUJFWSA-N 1 0 313.379 1.263 20 5 DDBDRO CNC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000429783444 529925420 /nfs/dbraw/zinc/92/54/20/529925420.db2.gz HRPNUGUWALCABE-QWHCGFSZSA-N 1 0 307.350 1.608 20 5 DDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H](C1CC1)[NH+](C)C ZINC000301989609 529932951 /nfs/dbraw/zinc/93/29/51/529932951.db2.gz OMWGLKLEWJJZPY-AWEZNQCLSA-N 1 0 306.366 1.707 20 5 DDBDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000272247697 282317797 /nfs/dbraw/zinc/31/77/97/282317797.db2.gz LKKBCTJKLYNXNV-MWLCHTKSSA-N 1 0 311.769 1.986 20 5 DDBDRO C[NH2+]CC1CCN(C(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)CC1 ZINC000422813019 529958950 /nfs/dbraw/zinc/95/89/50/529958950.db2.gz XFVIBKDGFISFMX-UHFFFAOYSA-N 1 0 321.377 1.983 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@H]1CCOC1 ZINC000106883023 185459738 /nfs/dbraw/zinc/45/97/38/185459738.db2.gz JIUKTYOCSZXPSV-LBPRGKRZSA-N 1 0 323.349 1.653 20 5 DDBDRO C[NH+](C)CCOC1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000330716102 232016431 /nfs/dbraw/zinc/01/64/31/232016431.db2.gz BYKNXTZJQTUPAZ-UHFFFAOYSA-N 1 0 311.338 1.371 20 5 DDBDRO Cc1c(Cl)cc(S(=O)(=O)N[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000052093305 190682258 /nfs/dbraw/zinc/68/22/58/190682258.db2.gz HMUTTZVHVQOHBF-MRVPVSSYSA-N 1 0 319.770 1.197 20 5 DDBDRO CN(Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C1CC([NH3+])C1 ZINC000414780912 530014411 /nfs/dbraw/zinc/01/44/11/530014411.db2.gz UVEFSSWYHVEVIJ-UHFFFAOYSA-N 1 0 315.377 1.917 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000330909833 232155159 /nfs/dbraw/zinc/15/51/59/232155159.db2.gz PCAOEXHMXVKKFG-ZYHUDNBSSA-N 1 0 309.370 1.089 20 5 DDBDRO C[C@H]1CN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000261728031 290877377 /nfs/dbraw/zinc/87/73/77/290877377.db2.gz QUOFNNJFRHRULL-WPRPVWTQSA-N 1 0 317.342 1.092 20 5 DDBDRO CCCC[C@H](C[NH3+])NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000150289941 186055890 /nfs/dbraw/zinc/05/58/90/186055890.db2.gz JALKBWULICICMV-GFCCVEGCSA-N 1 0 315.395 1.532 20 5 DDBDRO COc1cc(C[NH2+][C@H]2CCC[C@@H]2CCO)c([N+](=O)[O-])cc1O ZINC000189951159 186254250 /nfs/dbraw/zinc/25/42/50/186254250.db2.gz VXEUKZZQCLMOBE-PWSUYJOCSA-N 1 0 310.350 1.950 20 5 DDBDRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000237468195 186293901 /nfs/dbraw/zinc/29/39/01/186293901.db2.gz NBGRNBLDNZNFRB-NWDGAFQWSA-N 1 0 307.350 1.559 20 5 DDBDRO Cc1cc(NCCC[N@@H+]2CCC[C@@H]2C(N)=O)ncc1[N+](=O)[O-] ZINC000266850566 186359519 /nfs/dbraw/zinc/35/95/19/186359519.db2.gz RFQKWIGISGMCSF-LLVKDONJSA-N 1 0 307.354 1.050 20 5 DDBDRO CC(C)NC(=O)C[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000026259521 352207328 /nfs/dbraw/zinc/20/73/28/352207328.db2.gz VOWPGCZHMJQECU-UHFFFAOYSA-N 1 0 322.365 1.380 20 5 DDBDRO CC[NH+](CC)CCCNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000072532469 191188856 /nfs/dbraw/zinc/18/88/56/191188856.db2.gz OSUXCYSTEAOYAY-UHFFFAOYSA-N 1 0 309.366 1.822 20 5 DDBDRO C[N@H+](CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CC1 ZINC000046601863 352456849 /nfs/dbraw/zinc/45/68/49/352456849.db2.gz XOUDVKPBTWTZTL-UHFFFAOYSA-N 1 0 318.377 1.338 20 5 DDBDRO COC1CC[NH+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000053907369 352671941 /nfs/dbraw/zinc/67/19/41/352671941.db2.gz YOKLKZYBCCJLKP-CYBMUJFWSA-N 1 0 310.350 1.445 20 5 DDBDRO CCC[NH+]1CCC(N(C)C(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000064310425 352932770 /nfs/dbraw/zinc/93/27/70/352932770.db2.gz XWQROOJMECNTIS-UHFFFAOYSA-N 1 0 323.397 1.514 20 5 DDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000064334127 352933889 /nfs/dbraw/zinc/93/38/89/352933889.db2.gz OPIPQXOXQITNGV-LSDHHAIUSA-N 1 0 319.361 1.117 20 5 DDBDRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNc1ccncc1[N+](=O)[O-] ZINC000066812062 353017488 /nfs/dbraw/zinc/01/74/88/353017488.db2.gz SCNGHNNSLNDCBZ-ZDUSSCGKSA-N 1 0 321.381 1.344 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000068341684 353105935 /nfs/dbraw/zinc/10/59/35/353105935.db2.gz ROAPLCWVJKSHEF-CYBMUJFWSA-N 1 0 320.393 1.827 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)n1 ZINC000331922230 234278264 /nfs/dbraw/zinc/27/82/64/234278264.db2.gz ZSJDUHNSEXUGHH-GFCCVEGCSA-N 1 0 321.381 1.512 20 5 DDBDRO C[C@H](CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000068101990 353088768 /nfs/dbraw/zinc/08/87/68/353088768.db2.gz VOWXYFVELSNXKN-GFCCVEGCSA-N 1 0 308.382 1.853 20 5 DDBDRO C[N@H+](CCNC(=O)CCn1cc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000068898328 353135417 /nfs/dbraw/zinc/13/54/17/353135417.db2.gz OAGVKLUURDLNHY-UHFFFAOYSA-N 1 0 323.397 1.562 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H]([NH+](C)C)C2)c1 ZINC000358580389 299202429 /nfs/dbraw/zinc/20/24/29/299202429.db2.gz WBYDDTBFKLBDCX-NSHDSACASA-N 1 0 307.350 1.770 20 5 DDBDRO CC[C@@H](CO)[NH+]1CCN(Cc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000075961089 353387690 /nfs/dbraw/zinc/38/76/90/353387690.db2.gz UUOWBHCNCWXJJG-AWEZNQCLSA-N 1 0 323.393 1.492 20 5 DDBDRO CC[N@@H+](Cc1cccs1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174664726 198367915 /nfs/dbraw/zinc/36/79/15/198367915.db2.gz JZYJMEOCUGSING-LBPRGKRZSA-N 1 0 310.379 1.736 20 5 DDBDRO COC1CC[NH+](CCNC(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000079998510 353586481 /nfs/dbraw/zinc/58/64/81/353586481.db2.gz DPSNGOZZNDJQOT-UHFFFAOYSA-N 1 0 322.365 1.018 20 5 DDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])NCC[NH+]1CCCCC1 ZINC000080598373 353616449 /nfs/dbraw/zinc/61/64/49/353616449.db2.gz PKGOOEXJJDCEQX-UHFFFAOYSA-N 1 0 320.393 1.922 20 5 DDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@@H]([NH3+])C[C@H]1C ZINC000228341957 354322483 /nfs/dbraw/zinc/32/24/83/354322483.db2.gz MULUILSPZGJALJ-MWLCHTKSSA-N 1 0 313.379 1.404 20 5 DDBDRO C[C@]1(C(N)=O)CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000280738393 354423245 /nfs/dbraw/zinc/42/32/45/354423245.db2.gz LZYSRDOEPPJAEB-HNNXBMFYSA-N 1 0 307.350 1.561 20 5 DDBDRO CCc1n[nH]c(C(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)c1[N+](=O)[O-] ZINC000346204775 283025261 /nfs/dbraw/zinc/02/52/61/283025261.db2.gz MNZHPCXYMHGJAY-PHIMTYICSA-N 1 0 323.397 1.873 20 5 DDBDRO [NH3+]C[C@@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C(F)(F)F ZINC000401708770 354664893 /nfs/dbraw/zinc/66/48/93/354664893.db2.gz GOXBAQGGDXKAQM-MRVPVSSYSA-N 1 0 311.647 1.868 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1[C@H](C)C[NH2+]C[C@@H]1C ZINC000493687508 234899581 /nfs/dbraw/zinc/89/95/81/234899581.db2.gz WAGQUBGFZSSRSH-BETUJISGSA-N 1 0 320.393 1.914 20 5 DDBDRO CNc1ccc(C(=O)N2CCC3(CC[NH2+]3)CC2)cc1[N+](=O)[O-] ZINC000584833485 354778018 /nfs/dbraw/zinc/77/80/18/354778018.db2.gz QKXHFHZPPIZGOA-UHFFFAOYSA-N 1 0 304.350 1.605 20 5 DDBDRO CN(C[C@@H]1CCC[N@H+](C)C1)c1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000587979632 354888943 /nfs/dbraw/zinc/88/89/43/354888943.db2.gz WYNRRSIHCGUGMJ-LLVKDONJSA-N 1 0 308.382 1.447 20 5 DDBDRO CCn1c(C)nc([N+](=O)[O-])c1NCCCC[NH+]1CCN(C)CC1 ZINC000588810956 354938691 /nfs/dbraw/zinc/93/86/91/354938691.db2.gz NAZQZJJYFXPFIQ-UHFFFAOYSA-N 1 0 324.429 1.559 20 5 DDBDRO O=C(c1ccc(F)cc1[N+](=O)[O-])N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000588861860 354944243 /nfs/dbraw/zinc/94/42/43/354944243.db2.gz VSYGJQZVQCHZQS-RYUDHWBXSA-N 1 0 323.324 1.015 20 5 DDBDRO CCCN(CC(N)=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000590053724 355044164 /nfs/dbraw/zinc/04/41/64/355044164.db2.gz AUTAEWQJOBURKJ-UHFFFAOYSA-N 1 0 309.322 1.063 20 5 DDBDRO C[C@H](CNc1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C)C[NH+](C)C ZINC000589870761 355027636 /nfs/dbraw/zinc/02/76/36/355027636.db2.gz QELYHAPRBAFKNT-SNVBAGLBSA-N 1 0 321.381 1.395 20 5 DDBDRO C[N@@H+]1CCO[C@@H]2CN(c3nccc4c3cccc4[N+](=O)[O-])C[C@H]21 ZINC000590694450 355149506 /nfs/dbraw/zinc/14/95/06/355149506.db2.gz HUHDAXRSLLDTNV-HUUCEWRRSA-N 1 0 314.345 1.662 20 5 DDBDRO O=c1[nH]c(N2CC[C@H]3CC[NH2+][C@H]3C2)nc2ccc([N+](=O)[O-])cc21 ZINC000591437394 355310568 /nfs/dbraw/zinc/31/05/68/355310568.db2.gz GYCKEXJKHRLMDY-RNCFNFMXSA-N 1 0 315.333 1.432 20 5 DDBDRO CNc1ccc(C(=O)N[C@@H](C[NH3+])C2CCCC2)cc1[N+](=O)[O-] ZINC000591586710 355330464 /nfs/dbraw/zinc/33/04/64/355330464.db2.gz MLCSXZVXLHAJJK-ZDUSSCGKSA-N 1 0 306.366 1.884 20 5 DDBDRO COC(=O)[C@@H]1C[C@@H](O)C[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000592196499 355532568 /nfs/dbraw/zinc/53/25/68/355532568.db2.gz CBXZXDGZKCIPFD-CHWSQXEVSA-N 1 0 308.334 1.259 20 5 DDBDRO C[C@H]([NH3+])[C@@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CCO1 ZINC000592312444 355557162 /nfs/dbraw/zinc/55/71/62/355557162.db2.gz UXPGQJSPUYAKQS-XPTSAGLGSA-N 1 0 319.317 1.529 20 5 DDBDRO CO[C@@H]1COC[C@H]1[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000592154652 355519802 /nfs/dbraw/zinc/51/98/02/355519802.db2.gz LRRYDWAXEPKXKP-ZIAGYGMSSA-N 1 0 323.349 1.235 20 5 DDBDRO C[NH+]1CCC2(CC1)CN(Cc1csc([N+](=O)[O-])c1)CCO2 ZINC000592181079 355527215 /nfs/dbraw/zinc/52/72/15/355527215.db2.gz BSBXJGFXKMHDHB-UHFFFAOYSA-N 1 0 311.407 1.953 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000592476547 355593581 /nfs/dbraw/zinc/59/35/81/355593581.db2.gz IIKQECQFLHZAPJ-OLZOCXBDSA-N 1 0 321.377 1.708 20 5 DDBDRO COC(=O)c1cc(-c2nc([C@H]3CCC[NH2+]3)no2)cc([N+](=O)[O-])c1 ZINC000592357317 355565752 /nfs/dbraw/zinc/56/57/52/355565752.db2.gz WCTTTXKFWLDUIF-LLVKDONJSA-N 1 0 318.289 1.856 20 5 DDBDRO C[C@H]1C[C@@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CO1 ZINC000592367321 355568552 /nfs/dbraw/zinc/56/85/52/355568552.db2.gz PJWLRASPAZFUBL-WDEREUQCSA-N 1 0 314.363 1.136 20 5 DDBDRO C[C@@H]([NH3+])[C@@H]1CCCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000592427570 355580524 /nfs/dbraw/zinc/58/05/24/355580524.db2.gz CGVIWRPZCDFZAN-VXGBXAGGSA-N 1 0 321.377 1.925 20 5 DDBDRO CC[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CCCOC1 ZINC000593070266 355786459 /nfs/dbraw/zinc/78/64/59/355786459.db2.gz VYTWCBRCFGPTNF-HUUCEWRRSA-N 1 0 324.377 1.835 20 5 DDBDRO CC[NH+]1CCC(NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000593393005 355871178 /nfs/dbraw/zinc/87/11/78/355871178.db2.gz XTNLZKDBOKOFDZ-UHFFFAOYSA-N 1 0 309.341 1.877 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H](C)[C@@H]2CC[NH3+])n1 ZINC000593914221 356057229 /nfs/dbraw/zinc/05/72/29/356057229.db2.gz BEIQIFJPXFVLSR-QWRGUYRKSA-N 1 0 309.370 1.401 20 5 DDBDRO O=[N+]([O-])c1cc2ccccc2nc1N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000594603896 356262511 /nfs/dbraw/zinc/26/25/11/356262511.db2.gz OMJKGCAXIADPTP-QWHCGFSZSA-N 1 0 314.345 1.398 20 5 DDBDRO O=[N+]([O-])c1ccc(-n2cc(C[NH2+]C3CCCCC3)nn2)nc1 ZINC000594649354 356274169 /nfs/dbraw/zinc/27/41/69/356274169.db2.gz LMQNDGHJKYMPCG-UHFFFAOYSA-N 1 0 302.338 1.993 20 5 DDBDRO CCOCCOC[C@@H](O)C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594498960 356238403 /nfs/dbraw/zinc/23/84/03/356238403.db2.gz DTJZAGIXBZQDJM-SWLSCSKDSA-N 1 0 324.377 1.586 20 5 DDBDRO C[C@]1(CC[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1(F)F ZINC000594733560 356300859 /nfs/dbraw/zinc/30/08/59/356300859.db2.gz YGXNAQLYESAEGO-QWRGUYRKSA-N 1 0 304.297 1.177 20 5 DDBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CCC(=O)N1 ZINC000595091483 356381210 /nfs/dbraw/zinc/38/12/10/356381210.db2.gz RGCLFAOJGYNYSU-PWSUYJOCSA-N 1 0 320.349 1.180 20 5 DDBDRO Cc1cc(S(=O)(=O)N2CCC([NH3+])CC2)c(C)cc1[N+](=O)[O-] ZINC000595110149 356383850 /nfs/dbraw/zinc/38/38/50/356383850.db2.gz HQKHANACKCFXEG-UHFFFAOYSA-N 1 0 313.379 1.323 20 5 DDBDRO C[C@H](NC(=O)N1CC2CC1(C[NH3+])C2)c1cccc([N+](=O)[O-])c1 ZINC000595264503 356425393 /nfs/dbraw/zinc/42/53/93/356425393.db2.gz ZUTQXWHLRVWJRU-NLTNOIMHSA-N 1 0 304.350 1.789 20 5 DDBDRO O=C1C[C@@H](C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CN1 ZINC000595330563 356452110 /nfs/dbraw/zinc/45/21/10/356452110.db2.gz MAEDHUMAKTXQAO-GFCCVEGCSA-N 1 0 319.361 1.574 20 5 DDBDRO COC[C@H](C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1)OC ZINC000595289993 356434774 /nfs/dbraw/zinc/43/47/74/356434774.db2.gz GSOSQSBCAKOLTE-ZDUSSCGKSA-N 1 0 309.366 1.378 20 5 DDBDRO CCC[N@@H+]1CC[C@@H](NC(=O)NCc2ccccc2[N+](=O)[O-])C1 ZINC000595447611 356496510 /nfs/dbraw/zinc/49/65/10/356496510.db2.gz OIBVAXJFTXVUDW-CYBMUJFWSA-N 1 0 306.366 1.878 20 5 DDBDRO C[C@H](NC(=O)N(C)CC1C[NH+](C)C1)c1ccccc1[N+](=O)[O-] ZINC000595583020 356562454 /nfs/dbraw/zinc/56/24/54/356562454.db2.gz ULSQDJBDEIKXNK-NSHDSACASA-N 1 0 306.366 1.859 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@H](CO)C2CCC2)c1 ZINC000595614549 356577995 /nfs/dbraw/zinc/57/79/95/356577995.db2.gz DMGUWLJZUIFNLT-CYBMUJFWSA-N 1 0 308.334 1.632 20 5 DDBDRO O=C(CC[NH2+][C@H](CO)C1CCC1)Nc1ccccc1[N+](=O)[O-] ZINC000595618394 356579586 /nfs/dbraw/zinc/57/95/86/356579586.db2.gz XWQJDYQSKMKTTL-CYBMUJFWSA-N 1 0 307.350 1.674 20 5 DDBDRO C[C@H]1C[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H](C)C1O ZINC000595733291 356627043 /nfs/dbraw/zinc/62/70/43/356627043.db2.gz QZURUBYMSQQQNE-RYUDHWBXSA-N 1 0 321.377 1.872 20 5 DDBDRO C[C@H]([NH2+][C@@H]1C[C@H](O)C12CCC2)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000595779402 356649518 /nfs/dbraw/zinc/64/95/18/356649518.db2.gz DTFWRSANANFNLM-GDLCADMTSA-N 1 0 319.361 1.815 20 5 DDBDRO O=C(CC[NH2+][C@@H]1C[C@H](O)C12CCC2)Nc1ccccc1[N+](=O)[O-] ZINC000595782191 356650501 /nfs/dbraw/zinc/65/05/01/356650501.db2.gz OFFMEACQSHVLOD-KGLIPLIRSA-N 1 0 319.361 1.817 20 5 DDBDRO Cc1cc(S(=O)(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1[N+](=O)[O-] ZINC000601348360 358510058 /nfs/dbraw/zinc/51/00/58/358510058.db2.gz UYLNJEMYQGTATG-PHIMTYICSA-N 1 0 311.363 1.028 20 5 DDBDRO O=C(c1n[nH]cc1[N+](=O)[O-])N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595937540 356712693 /nfs/dbraw/zinc/71/26/93/356712693.db2.gz WJNQTHHXWPKYJN-NSHDSACASA-N 1 0 307.354 1.170 20 5 DDBDRO CCOC(=O)c1cc(C(=O)N(C)CC(C)(C)[NH3+])cc([N+](=O)[O-])c1 ZINC000595944089 356716419 /nfs/dbraw/zinc/71/64/19/356716419.db2.gz KALHINMABOSJFN-UHFFFAOYSA-N 1 0 323.349 1.581 20 5 DDBDRO CC(C)(C(=O)N1CCOC2(C[NH2+]C2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000596099723 356771279 /nfs/dbraw/zinc/77/12/79/356771279.db2.gz XMTUWRXPNOPOAZ-UHFFFAOYSA-N 1 0 319.361 1.073 20 5 DDBDRO CCN(C(=O)NCCc1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@H+](C)C1 ZINC000596188321 356806180 /nfs/dbraw/zinc/80/61/80/356806180.db2.gz WMQDJBMRRGODBO-HNNXBMFYSA-N 1 0 320.393 1.873 20 5 DDBDRO CN(C(=O)COc1cccc([N+](=O)[O-])c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000237209300 202190744 /nfs/dbraw/zinc/19/07/44/202190744.db2.gz GVDWEAJTGLPLRJ-ONXXMXGDSA-N 1 0 319.361 1.715 20 5 DDBDRO CC(C)(CNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC000276880481 213151505 /nfs/dbraw/zinc/15/15/05/213151505.db2.gz PCKYCGYJIHHKAQ-UHFFFAOYSA-N 1 0 322.365 1.547 20 5 DDBDRO COc1cc(CN(C)CC2C[NH+](C)C2)c([N+](=O)[O-])cc1OC ZINC000597202600 357091089 /nfs/dbraw/zinc/09/10/89/357091089.db2.gz GMSLNDXOEPLYPG-UHFFFAOYSA-N 1 0 309.366 1.605 20 5 DDBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N[C@H]1CC12CC[NH2+]CC2 ZINC000597439978 357176468 /nfs/dbraw/zinc/17/64/68/357176468.db2.gz KEBBXURHWGGRJC-ZDUSSCGKSA-N 1 0 304.350 1.536 20 5 DDBDRO C[NH+](C)CC1CN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000597708420 357295484 /nfs/dbraw/zinc/29/54/84/357295484.db2.gz LCYHZSXZZFGQJM-UHFFFAOYSA-N 1 0 305.378 1.892 20 5 DDBDRO Cn1c(C(=O)N2CCC[C@@]3(CC[N@H+](C)C3)C2)ccc1[N+](=O)[O-] ZINC000597714733 357298690 /nfs/dbraw/zinc/29/86/90/357298690.db2.gz ISDRSLTUWYUEKA-HNNXBMFYSA-N 1 0 306.366 1.491 20 5 DDBDRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000597854616 357359384 /nfs/dbraw/zinc/35/93/84/357359384.db2.gz KCBVINOYRCLKGM-GFCCVEGCSA-N 1 0 323.397 1.418 20 5 DDBDRO CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000598341623 357543889 /nfs/dbraw/zinc/54/38/89/357543889.db2.gz DWFRANBJCXIICE-LLVKDONJSA-N 1 0 307.350 1.818 20 5 DDBDRO Cn1c(C(=O)NCC2CC[NH+](CC3CC3)CC2)ccc1[N+](=O)[O-] ZINC000598537468 357625402 /nfs/dbraw/zinc/62/54/02/357625402.db2.gz FVHSWPOXGJZWHC-UHFFFAOYSA-N 1 0 320.393 1.785 20 5 DDBDRO COC(=O)c1ccnc(N(C)CC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000598594884 357646893 /nfs/dbraw/zinc/64/68/93/357646893.db2.gz NLCHOVQVGAUJHF-UHFFFAOYSA-N 1 0 308.338 1.308 20 5 DDBDRO COC(=O)c1ccnc(N[C@H]2CC[N@H+](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000598599466 357648583 /nfs/dbraw/zinc/64/85/83/357648583.db2.gz OIWMFSGPDNZREM-ZJUUUORDSA-N 1 0 308.338 1.671 20 5 DDBDRO [NH3+][C@]12CCC[C@@H]1CN(C(=O)CNc1ccccc1[N+](=O)[O-])C2 ZINC000598668590 357678202 /nfs/dbraw/zinc/67/82/02/357678202.db2.gz BATLLTQDUAGQSQ-ABAIWWIYSA-N 1 0 304.350 1.347 20 5 DDBDRO CN(CC(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1)c1ccccc1[N+](=O)[O-] ZINC000598670681 357679191 /nfs/dbraw/zinc/67/91/91/357679191.db2.gz WWBDDFHSIJNKAN-BLLLJJGKSA-N 1 0 318.377 1.371 20 5 DDBDRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C1 ZINC000598746060 357714152 /nfs/dbraw/zinc/71/41/52/357714152.db2.gz QKGAXGWTDAUWJX-VIFPVBQESA-N 1 0 308.338 1.298 20 5 DDBDRO [NH3+][C@@]12CCC[C@H]1CN(S(=O)(=O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000598717977 357702656 /nfs/dbraw/zinc/70/26/56/357702656.db2.gz APNQDUVEUAOTFN-GXFFZTMASA-N 1 0 311.363 1.097 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCN1CC[C@H](O)C1 ZINC000599017795 357795406 /nfs/dbraw/zinc/79/54/06/357795406.db2.gz BXZMAWXQLYMNFF-AWEZNQCLSA-N 1 0 309.366 1.150 20 5 DDBDRO O=[N+]([O-])c1c2ccncc2ccc1N1CCC[N@@H+](CCO)CC1 ZINC000599037475 357799484 /nfs/dbraw/zinc/79/94/84/357799484.db2.gz CXCVTVLKOBPANX-UHFFFAOYSA-N 1 0 316.361 1.647 20 5 DDBDRO O=[N+]([O-])c1c2ccncc2ccc1N1CC[C@H](CO)[C@@H](O)C1 ZINC000599078640 357809076 /nfs/dbraw/zinc/80/90/76/357809076.db2.gz JCQDEAYYHPCCJC-RISCZKNCSA-N 1 0 303.318 1.323 20 5 DDBDRO CN1CCC[C@@H]1C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000598993993 357786988 /nfs/dbraw/zinc/78/69/88/357786988.db2.gz VJGYUBPFDLAEPN-GFCCVEGCSA-N 1 0 307.350 1.550 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NC1(C[NH3+])CCOCC1 ZINC000599605098 357990466 /nfs/dbraw/zinc/99/04/66/357990466.db2.gz RZPROATUFGQHHA-UHFFFAOYSA-N 1 0 324.337 1.233 20 5 DDBDRO O=C(NC[C@H]1CC[N@@H+]1C1CCCCC1)c1cc([N+](=O)[O-])n[nH]1 ZINC000600228807 358163715 /nfs/dbraw/zinc/16/37/15/358163715.db2.gz FQVFCKDQQLXMGG-LLVKDONJSA-N 1 0 307.354 1.455 20 5 DDBDRO C[N@@H+]1CCCC[C@H](CNC(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000600310434 358192368 /nfs/dbraw/zinc/19/23/68/358192368.db2.gz IWUVVGVINWMTPT-CYBMUJFWSA-N 1 0 321.377 1.822 20 5 DDBDRO CCCNC(=O)NC(=O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180400635 199154380 /nfs/dbraw/zinc/15/43/80/199154380.db2.gz BODOTHRSQCSWBA-JTQLQIEISA-N 1 0 308.338 1.481 20 5 DDBDRO Cc1ncccc1C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000600764109 358310849 /nfs/dbraw/zinc/31/08/49/358310849.db2.gz XTOFHHWDMFRWAA-AWEZNQCLSA-N 1 0 317.345 1.828 20 5 DDBDRO COC[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C1CC1 ZINC000600851214 358330528 /nfs/dbraw/zinc/33/05/28/358330528.db2.gz WIUGHZULGFJJSS-OAHLLOKOSA-N 1 0 320.393 1.973 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1Cn1cc(CC[NH+](C)C)nn1 ZINC000600972851 358364556 /nfs/dbraw/zinc/36/45/56/358364556.db2.gz GVCOWDGPGNTEBN-UHFFFAOYSA-N 1 0 305.338 1.347 20 5 DDBDRO COc1cc(C[N@@H+]2CC[C@H]([C@@H](C)O)C2)c([N+](=O)[O-])cc1OC ZINC000180860924 199220009 /nfs/dbraw/zinc/22/00/09/199220009.db2.gz RFYHUUHNTCHBKA-MNOVXSKESA-N 1 0 310.350 1.815 20 5 DDBDRO Cc1cc(S(=O)(=O)N[C@@H](C)CC[NH+](C)C)c([N+](=O)[O-])s1 ZINC000601357321 358514726 /nfs/dbraw/zinc/51/47/26/358514726.db2.gz QPSJGKRIYJQPDL-QMMMGPOBSA-N 1 0 321.424 1.583 20 5 DDBDRO CC[NH+](CC)CC[C@@H](CO)Nc1ncc(F)cc1[N+](=O)[O-] ZINC000601160760 358427686 /nfs/dbraw/zinc/42/76/86/358427686.db2.gz ZQQJEKNIWZJHKA-NSHDSACASA-N 1 0 300.334 1.634 20 5 DDBDRO Cc1cc(S(=O)(=O)N[C@@H](C)C[NH+](C)C)c([N+](=O)[O-])s1 ZINC000601415347 358543120 /nfs/dbraw/zinc/54/31/20/358543120.db2.gz UFNRCGPJTDHNIP-ZETCQYMHSA-N 1 0 307.397 1.193 20 5 DDBDRO [NH3+]C[C@H]1CCN(CCn2cc([N+](=O)[O-])cn2)c2ccccc21 ZINC000601963026 358755284 /nfs/dbraw/zinc/75/52/84/358755284.db2.gz JBQIFTGHTGOJRY-GFCCVEGCSA-N 1 0 301.350 1.744 20 5 DDBDRO C[C@@H]1C[C@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@H](C)O1 ZINC000601967091 358756730 /nfs/dbraw/zinc/75/67/30/358756730.db2.gz FHUJUAFUCPGTPP-VOAKCMCISA-N 1 0 310.350 1.490 20 5 DDBDRO O=[N+]([O-])c1ccc(CN2CCC([NH2+]CCO)CC2)c(Cl)c1 ZINC000602018963 358778130 /nfs/dbraw/zinc/77/81/30/358778130.db2.gz CSCLSLHEKXDOCW-UHFFFAOYSA-N 1 0 313.785 1.795 20 5 DDBDRO C[NH+](C)CC1(C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000602140613 358841727 /nfs/dbraw/zinc/84/17/27/358841727.db2.gz LCVWEFQLJNZXLH-UHFFFAOYSA-N 1 0 319.361 1.526 20 5 DDBDRO Cn1cc(CN2CCC[N@H+](C[C@@H]3CCCO3)CC2)c([N+](=O)[O-])n1 ZINC000602442588 358979179 /nfs/dbraw/zinc/97/91/79/358979179.db2.gz ZNJCOQOJUNQXSC-AWEZNQCLSA-N 1 0 323.397 1.015 20 5 DDBDRO COC[C@@]1(C(=O)NCc2cccc([N+](=O)[O-])c2)CCCC[NH2+]1 ZINC000602440540 358978043 /nfs/dbraw/zinc/97/80/43/358978043.db2.gz QOCHDUMZMSGLMG-OAHLLOKOSA-N 1 0 307.350 1.370 20 5 DDBDRO COCC[N@H+](C)CCCNCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602510126 359020320 /nfs/dbraw/zinc/02/03/20/359020320.db2.gz KHFUOSPURPCQBC-UHFFFAOYSA-N 1 0 322.365 1.794 20 5 DDBDRO COC[C@H](C)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602533939 359032216 /nfs/dbraw/zinc/03/22/16/359032216.db2.gz ZSGPQJNZGSKYSQ-GFCCVEGCSA-N 1 0 308.382 1.831 20 5 DDBDRO CC[C@@H]([NH3+])CNC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000602494456 359014375 /nfs/dbraw/zinc/01/43/75/359014375.db2.gz GVVJFGKTRHEVMU-SSDOTTSWSA-N 1 0 316.155 1.824 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CC[C@H]3CCOC3)CC2)cn1 ZINC000602606445 359069520 /nfs/dbraw/zinc/06/95/20/359069520.db2.gz DLRQKSXUIGFCFX-ZDUSSCGKSA-N 1 0 320.393 1.975 20 5 DDBDRO CCN(C)C(=O)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602623234 359080076 /nfs/dbraw/zinc/08/00/76/359080076.db2.gz WPAGVGUVMZXONA-UHFFFAOYSA-N 1 0 321.381 1.027 20 5 DDBDRO C[C@H]1C[C@H]([NH3+])CN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000602601241 359065001 /nfs/dbraw/zinc/06/50/01/359065001.db2.gz ZYXGIRRJWULNMT-AAEUAGOBSA-N 1 0 318.377 1.757 20 5 DDBDRO CCCN1C[C@@H](C[NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1=O ZINC000602696819 359131808 /nfs/dbraw/zinc/13/18/08/359131808.db2.gz GYYPEJWMTZKJKI-CQSZACIVSA-N 1 0 305.378 1.985 20 5 DDBDRO Cn1cc(CN2CC[N@H+](C)C3(CCCCC3)C2)c([N+](=O)[O-])n1 ZINC000602836278 359226900 /nfs/dbraw/zinc/22/69/00/359226900.db2.gz MZDWCEHDYBEFRZ-UHFFFAOYSA-N 1 0 307.398 1.779 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H]([C@@H](CO)C1CC1)C1CC1 ZINC000602840113 359229897 /nfs/dbraw/zinc/22/98/97/359229897.db2.gz IVKNFFZYVZKNPI-ZFWWWQNUSA-N 1 0 308.382 1.486 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CCN1CC[N@@H+](C2CC2)C[C@H](C)C1 ZINC000602832478 359223921 /nfs/dbraw/zinc/22/39/21/359223921.db2.gz NEGSTRTVKCJHQI-GFCCVEGCSA-N 1 0 307.398 1.516 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](C(C)C)C1(CO)CCC1 ZINC000602832769 359225076 /nfs/dbraw/zinc/22/50/76/359225076.db2.gz RGGZEGSNTHFHAN-AWEZNQCLSA-N 1 0 310.398 1.877 20 5 DDBDRO COCC[NH2+]CCc1cn(Cc2csc([N+](=O)[O-])c2)nn1 ZINC000603206265 359481020 /nfs/dbraw/zinc/48/10/20/359481020.db2.gz OPAGVCPYEMXSRB-UHFFFAOYSA-N 1 0 311.367 1.075 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H](O)[C@H](C)C1 ZINC000186823125 200016803 /nfs/dbraw/zinc/01/68/03/200016803.db2.gz CQJOBKLCANJOJP-DOMZBBRYSA-N 1 0 321.377 1.935 20 5 DDBDRO C[C@H](CN(C)C)[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000348306992 283462672 /nfs/dbraw/zinc/46/26/72/283462672.db2.gz PUHUPJQZHLMTSS-NWDGAFQWSA-N 1 0 308.382 1.852 20 5 DDBDRO C[C@@H]1CN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC000188439598 200246792 /nfs/dbraw/zinc/24/67/92/200246792.db2.gz DGSWDIJJHRTDOP-GFCCVEGCSA-N 1 0 318.377 1.629 20 5 DDBDRO COc1cc(C[NH2+]C[C@H]2CC[C@@H](O)C2)c([N+](=O)[O-])cc1OC ZINC000188836622 200309564 /nfs/dbraw/zinc/30/95/64/200309564.db2.gz IZJOCZYUPDMLSO-CMPLNLGQSA-N 1 0 310.350 1.863 20 5 DDBDRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000189406218 200395730 /nfs/dbraw/zinc/39/57/30/200395730.db2.gz QIEIOELOTMEHPY-CYBMUJFWSA-N 1 0 307.394 1.872 20 5 DDBDRO CNC(=O)c1ccc(N2CCC[C@H]([NH2+]C(C)C)C2)c([N+](=O)[O-])c1 ZINC000608778925 360240612 /nfs/dbraw/zinc/24/06/12/360240612.db2.gz HVCUONDJKCSCLE-ZDUSSCGKSA-N 1 0 320.393 1.921 20 5 DDBDRO C[N@@H+]1CCCC[C@H]1CN1CCN(c2cccnc2[N+](=O)[O-])CC1 ZINC000609333880 360294639 /nfs/dbraw/zinc/29/46/39/360294639.db2.gz BVZDSVWGTMOUIQ-AWEZNQCLSA-N 1 0 319.409 1.596 20 5 DDBDRO O=C(NCC1([NH+]2CCCC2)CCOCC1)c1cc([N+](=O)[O-])c[nH]1 ZINC000609190659 360271049 /nfs/dbraw/zinc/27/10/49/360271049.db2.gz QYDSCWOLOYVSDS-UHFFFAOYSA-N 1 0 322.365 1.298 20 5 DDBDRO C[NH+](C)C[C@H]1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000609624407 360337021 /nfs/dbraw/zinc/33/70/21/360337021.db2.gz UXPWSRMBEFSSML-SNVBAGLBSA-N 1 0 321.333 1.347 20 5 DDBDRO C[C@H]1C[C@@H](O)CC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000292409445 223059954 /nfs/dbraw/zinc/05/99/54/223059954.db2.gz LYRKFBACEFYWAR-FPMFFAJLSA-N 1 0 310.350 1.180 20 5 DDBDRO COC(=O)[C@H]1CC12CC[NH+](Cc1c([N+](=O)[O-])ncn1C)CC2 ZINC000610476379 360444664 /nfs/dbraw/zinc/44/46/64/360444664.db2.gz FMODWSMQIZXKAN-SNVBAGLBSA-N 1 0 308.338 1.103 20 5 DDBDRO COc1ccc(OCC[N@H+](CCCO)C2CC2)c([N+](=O)[O-])c1 ZINC000610369671 360423099 /nfs/dbraw/zinc/42/30/99/360423099.db2.gz UUPBLCYHZYQZTA-UHFFFAOYSA-N 1 0 310.350 1.829 20 5 DDBDRO CC1(C)C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C(C)(C)CO1 ZINC000610369646 360423208 /nfs/dbraw/zinc/42/32/08/360423208.db2.gz MHDHDNZYMKIAKQ-LBPRGKRZSA-N 1 0 312.370 1.042 20 5 DDBDRO C[C@H]([NH2+]CCCN(C)S(C)(=O)=O)c1ccc([N+](=O)[O-])cc1 ZINC000610538813 360463631 /nfs/dbraw/zinc/46/36/31/360463631.db2.gz WLYPRTQLMVXOLO-NSHDSACASA-N 1 0 315.395 1.527 20 5 DDBDRO O=C(Nc1ccncc1[N+](=O)[O-])N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000359028224 299311191 /nfs/dbraw/zinc/31/11/91/299311191.db2.gz PJPJJKMDNPUGDK-RYUDHWBXSA-N 1 0 305.338 1.160 20 5 DDBDRO C[C@H]1COCCC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000610990901 360592334 /nfs/dbraw/zinc/59/23/34/360592334.db2.gz UFQGIZKERFOUGH-GXTWGEPZSA-N 1 0 310.350 1.445 20 5 DDBDRO CC[N@@H+]1CCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000611092122 360621647 /nfs/dbraw/zinc/62/16/47/360621647.db2.gz JFIFQSJQYSRZOS-OLZOCXBDSA-N 1 0 320.393 1.948 20 5 DDBDRO COCC[N@@H+]1CCC[C@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000611528149 360749255 /nfs/dbraw/zinc/74/92/55/360749255.db2.gz HSKNWXBCPKTFMS-NSHDSACASA-N 1 0 322.365 1.018 20 5 DDBDRO C[NH2+][C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000193328216 201030486 /nfs/dbraw/zinc/03/04/86/201030486.db2.gz HBFSMACANAHQOZ-NSHDSACASA-N 1 0 313.379 1.276 20 5 DDBDRO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000193588043 201079479 /nfs/dbraw/zinc/07/94/79/201079479.db2.gz MQRXRHWRUMGXCD-GXFFZTMASA-N 1 0 309.391 1.944 20 5 DDBDRO O=C(CC[NH2+]CCCn1cncn1)Nc1ccccc1[N+](=O)[O-] ZINC000619705899 364123623 /nfs/dbraw/zinc/12/36/23/364123623.db2.gz YBTRSSKXEBYWTN-UHFFFAOYSA-N 1 0 318.337 1.195 20 5 DDBDRO C[N@H+](CCCCS(C)(=O)=O)CCc1cccc([N+](=O)[O-])c1 ZINC000619785205 364150170 /nfs/dbraw/zinc/15/01/70/364150170.db2.gz XJTMBYYMWOZDHS-UHFFFAOYSA-N 1 0 314.407 1.894 20 5 DDBDRO CCC[C@@H]1C[NH2+]CCN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000359225877 299364871 /nfs/dbraw/zinc/36/48/71/299364871.db2.gz UFLRTAVYXINXMT-GFCCVEGCSA-N 1 0 306.366 1.607 20 5 DDBDRO CC(C)[N@H+](C)C[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000349774436 284047815 /nfs/dbraw/zinc/04/78/15/284047815.db2.gz HXZPEWUNFFGMDS-VIFPVBQESA-N 1 0 321.424 1.663 20 5 DDBDRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000349898034 284099089 /nfs/dbraw/zinc/09/90/89/284099089.db2.gz RWENRSGTFMYDGE-RYUDHWBXSA-N 1 0 323.397 1.806 20 5 DDBDRO [NH3+]C1(C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)CCC1 ZINC000262326109 203263501 /nfs/dbraw/zinc/26/35/01/203263501.db2.gz RQFVHCLKRRRFOR-UHFFFAOYSA-N 1 0 304.350 1.125 20 5 DDBDRO COc1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)ccc1[N+](=O)[O-] ZINC000262328617 203264013 /nfs/dbraw/zinc/26/40/13/203264013.db2.gz SCPFFQZOTWWPON-NEPJUHHUSA-N 1 0 305.334 1.570 20 5 DDBDRO O=C(CCNc1ccccc1[N+](=O)[O-])NCC[C@@H]1CC[NH2+]C1 ZINC000262568782 203333483 /nfs/dbraw/zinc/33/34/83/203333483.db2.gz FUUBQPQSLDKNQY-LBPRGKRZSA-N 1 0 306.366 1.513 20 5 DDBDRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000295229874 284156413 /nfs/dbraw/zinc/15/64/13/284156413.db2.gz NVCWSVNQCYJQFK-JZYVYDRUSA-N 1 0 315.251 1.561 20 5 DDBDRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000262755519 203399467 /nfs/dbraw/zinc/39/94/67/203399467.db2.gz KGLLJZBUEJZSQQ-MFKMUULPSA-N 1 0 318.377 1.897 20 5 DDBDRO COc1ccc(C(=O)N[C@@H]2CC[C@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000093996694 193337107 /nfs/dbraw/zinc/33/71/07/193337107.db2.gz DTKKLVSLAPYKEL-NEPJUHHUSA-N 1 0 307.350 1.816 20 5 DDBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000264659585 204060172 /nfs/dbraw/zinc/06/01/72/204060172.db2.gz HLHFJNMWUKSGQV-AWEZNQCLSA-N 1 0 321.377 1.964 20 5 DDBDRO CN1CC[N@H+](C)C[C@H]1CNc1ccc2ncccc2c1[N+](=O)[O-] ZINC000264796170 204163214 /nfs/dbraw/zinc/16/32/14/204163214.db2.gz TZCOXTXMGVJDQQ-GFCCVEGCSA-N 1 0 315.377 1.801 20 5 DDBDRO C[C@H]1CN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C[C@H](C)[NH2+]1 ZINC000566556178 304168394 /nfs/dbraw/zinc/16/83/94/304168394.db2.gz HGXFFWGZHHNRFE-IUCAKERBSA-N 1 0 307.306 1.146 20 5 DDBDRO COc1ccccc1C[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266406670 205324503 /nfs/dbraw/zinc/32/45/03/205324503.db2.gz FXJNJFMBGAIFIZ-AWEZNQCLSA-N 1 0 320.349 1.293 20 5 DDBDRO O=C([C@@H]1CCC[NH2+]C1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000194285808 284477683 /nfs/dbraw/zinc/47/76/83/284477683.db2.gz CRKAZMIMKBTBSH-CYBMUJFWSA-N 1 0 318.377 1.243 20 5 DDBDRO CC(C)[NH+]1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000028972887 248183655 /nfs/dbraw/zinc/18/36/55/248183655.db2.gz YVZKLHBNNCLFRV-UHFFFAOYSA-N 1 0 321.377 1.987 20 5 DDBDRO COc1cccc(C(=O)N[C@H]2CC[C@@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000334092170 249211961 /nfs/dbraw/zinc/21/19/61/249211961.db2.gz XVVSTYQMDOMBCF-WDEREUQCSA-N 1 0 307.350 1.816 20 5 DDBDRO Cc1cc(C(=O)NC[C@@H](C)[N@H+](C)C2CC2)c(N)c([N+](=O)[O-])c1 ZINC000104897062 194051158 /nfs/dbraw/zinc/05/11/58/194051158.db2.gz MJFPIJRNQITTNS-SNVBAGLBSA-N 1 0 306.366 1.698 20 5 DDBDRO O=C(NC[C@H](O)C[NH+]1CCCC1)Nc1cccc([N+](=O)[O-])c1 ZINC000339044965 250267640 /nfs/dbraw/zinc/26/76/40/250267640.db2.gz RXQSXOBSVNDNGQ-ZDUSSCGKSA-N 1 0 308.338 1.173 20 5 DDBDRO C[NH+](C)C1CN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000273800376 211068934 /nfs/dbraw/zinc/06/89/34/211068934.db2.gz AQHZTRRFDIWNIQ-UHFFFAOYSA-N 1 0 309.341 1.784 20 5 DDBDRO CCC1(O)CC[NH+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000273415435 210754564 /nfs/dbraw/zinc/75/45/64/210754564.db2.gz YFQGGOXXGOCPEI-CYBMUJFWSA-N 1 0 324.377 1.571 20 5 DDBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)[NH+](C)C ZINC000294272282 223940175 /nfs/dbraw/zinc/94/01/75/223940175.db2.gz HDFCRPQTFIZUIP-SECBINFHSA-N 1 0 312.345 1.480 20 5 DDBDRO C[C@@H]1C[C@@H](NC(=O)NCc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000340948528 251296535 /nfs/dbraw/zinc/29/65/35/251296535.db2.gz CCDMCSCTGINSIM-YPMHNXCESA-N 1 0 306.366 1.877 20 5 DDBDRO CC1(C)SC[C@H]1[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000567708854 304236050 /nfs/dbraw/zinc/23/60/50/304236050.db2.gz XXRSJUBJDJCURR-DGCLKSJQSA-N 1 0 312.391 1.818 20 5 DDBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@@H](CO)C2CCOCC2)cc1 ZINC000359881278 299559315 /nfs/dbraw/zinc/55/93/15/299559315.db2.gz WVPUOEFGUVFMDL-HNNXBMFYSA-N 1 0 310.350 1.351 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](CCO)CC1CC1 ZINC000352467916 285072665 /nfs/dbraw/zinc/07/26/65/285072665.db2.gz OIZXTMPPASIKES-UHFFFAOYSA-N 1 0 321.377 1.936 20 5 DDBDRO CCOc1cc(N2CC[NH+](CCCO)CC2)ccc1[N+](=O)[O-] ZINC000270309831 208382791 /nfs/dbraw/zinc/38/27/91/208382791.db2.gz SFWLNIPXPJJUKP-UHFFFAOYSA-N 1 0 309.366 1.498 20 5 DDBDRO CN(CC(=O)N1CC[C@]2(CC[NH2+]C2)C1)c1ccccc1[N+](=O)[O-] ZINC000159072841 197324565 /nfs/dbraw/zinc/32/45/65/197324565.db2.gz GUUBFWPZBSYZKI-INIZCTEOSA-N 1 0 318.377 1.243 20 5 DDBDRO [NH3+][C@H]1C[C@@H](C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000567904463 304255196 /nfs/dbraw/zinc/25/51/96/304255196.db2.gz QFBFPKFVOCILLL-TXEJJXNPSA-N 1 0 319.361 1.702 20 5 DDBDRO Cc1nn(CCC(=O)NC[C@@]2(C)CCC[NH2+]C2)c(C)c1[N+](=O)[O-] ZINC000272954661 210339582 /nfs/dbraw/zinc/33/95/82/210339582.db2.gz FCGGNNQIKVXPDZ-HNNXBMFYSA-N 1 0 323.397 1.304 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCCc3occc3C2)c1 ZINC000288708675 220360762 /nfs/dbraw/zinc/36/07/62/220360762.db2.gz FEPOSAINMNUIKU-ZDUSSCGKSA-N 1 0 306.322 1.194 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1[C@H](C)C[NH2+]C[C@@H]1C ZINC000493739612 533138571 /nfs/dbraw/zinc/13/85/71/533138571.db2.gz SPMLEOGATQNQPG-PHIMTYICSA-N 1 0 322.365 1.224 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000415505444 533139610 /nfs/dbraw/zinc/13/96/10/533139610.db2.gz QGPROAYXQNJRFI-NXEZZACHSA-N 1 0 308.338 1.804 20 5 DDBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCC[C@H]1O ZINC000352669324 285212379 /nfs/dbraw/zinc/21/23/79/285212379.db2.gz YUXSYXPHUOUBRE-UONOGXRCSA-N 1 0 307.350 1.769 20 5 DDBDRO C[C@H]1C[NH+](C)C[C@H](C)N1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000155456703 197056730 /nfs/dbraw/zinc/05/67/30/197056730.db2.gz VCMRCMOHSNFPHZ-RYUDHWBXSA-N 1 0 307.350 1.525 20 5 DDBDRO O=c1nc([C@H]2CCC[N@@H+](CCc3ccc([N+](=O)[O-])cc3)C2)[nH][nH]1 ZINC000289571831 221076806 /nfs/dbraw/zinc/07/68/06/221076806.db2.gz YMHWMZQSQUHUHU-LBPRGKRZSA-N 1 0 317.349 1.428 20 5 DDBDRO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000289734526 221188727 /nfs/dbraw/zinc/18/87/27/221188727.db2.gz VKQKPDCNHGUXMF-RYUDHWBXSA-N 1 0 306.366 1.511 20 5 DDBDRO Cn1cnc(CC[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000414130159 224302804 /nfs/dbraw/zinc/30/28/04/224302804.db2.gz WOOVTDOBDSNDOQ-ZIAGYGMSSA-N 1 0 318.381 1.841 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414651150 224368809 /nfs/dbraw/zinc/36/88/09/224368809.db2.gz FGKZCGMGOSOWBX-VHSXEESVSA-N 1 0 308.338 1.865 20 5 DDBDRO COC[C@@]1(C(=O)OC)CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000295036458 224394972 /nfs/dbraw/zinc/39/49/72/224394972.db2.gz MEHZAOOJSPLJON-OAHLLOKOSA-N 1 0 308.334 1.606 20 5 DDBDRO CNC(=O)CN1CCC([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000121799198 195349064 /nfs/dbraw/zinc/34/90/64/195349064.db2.gz CFKFHJLIAYWGJB-GFCCVEGCSA-N 1 0 320.393 1.456 20 5 DDBDRO Cc1n[nH]c(C(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000299503938 533665598 /nfs/dbraw/zinc/66/55/98/533665598.db2.gz DPBYZWLSUSXWOT-SNVBAGLBSA-N 1 0 323.397 1.867 20 5 DDBDRO Cc1ccc([C@@H](C)[NH2+]CCCn2cc(CO)nn2)cc1[N+](=O)[O-] ZINC000353578463 285811525 /nfs/dbraw/zinc/81/15/25/285811525.db2.gz RRSMDTYTQYKCID-GFCCVEGCSA-N 1 0 319.365 1.728 20 5 DDBDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000261641792 407566509 /nfs/dbraw/zinc/56/65/09/407566509.db2.gz DQIRUNGMKCDTKJ-NEPJUHHUSA-N 1 0 307.350 1.559 20 5 DDBDRO O=C(N[C@H]1C[C@@H]1C1CC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1F ZINC000361098967 299801578 /nfs/dbraw/zinc/80/15/78/299801578.db2.gz UZGUNRCXRSXVBW-OCCSQVGLSA-N 1 0 307.325 1.852 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](CCO)C1CC1 ZINC000071956114 406870517 /nfs/dbraw/zinc/87/05/17/406870517.db2.gz OIFQOUBBMZUSMJ-UHFFFAOYSA-N 1 0 323.349 1.389 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000029092927 406920310 /nfs/dbraw/zinc/92/03/10/406920310.db2.gz YFMZGYPZHDIIBN-UHFFFAOYSA-N 1 0 319.361 1.960 20 5 DDBDRO CC[NH+](CC)CCNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000089619490 407142400 /nfs/dbraw/zinc/14/24/00/407142400.db2.gz WJWOGBNNLTZTGG-UHFFFAOYSA-N 1 0 315.395 1.752 20 5 DDBDRO C[NH+](C)C[C@@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000180577958 306695263 /nfs/dbraw/zinc/69/52/63/306695263.db2.gz SMAWAAXSRYCRBJ-JTQLQIEISA-N 1 0 307.354 1.128 20 5 DDBDRO CCC[NH2+]CCNS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000054266450 407181751 /nfs/dbraw/zinc/18/17/51/407181751.db2.gz GAAGUILLJWZTLP-UHFFFAOYSA-N 1 0 315.395 1.490 20 5 DDBDRO CC[N@H+](CCNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)C(C)C ZINC000102495533 407323549 /nfs/dbraw/zinc/32/35/49/407323549.db2.gz OWQOUTXDOCHAAK-UHFFFAOYSA-N 1 0 311.386 1.373 20 5 DDBDRO CC[NH+](CC)[C@@H](C)CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000068080096 407294509 /nfs/dbraw/zinc/29/45/09/407294509.db2.gz WXTYRLFGAHKYBI-JTQLQIEISA-N 1 0 319.365 1.931 20 5 DDBDRO C[NH+](C)C[C@](C)(O)CNC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000123867354 407341192 /nfs/dbraw/zinc/34/11/92/407341192.db2.gz DABDPOJEZDMEFF-CYBMUJFWSA-N 1 0 315.757 1.291 20 5 DDBDRO CN(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000106885649 407364887 /nfs/dbraw/zinc/36/48/87/407364887.db2.gz IEQHSXBAOSRMTK-JTQLQIEISA-N 1 0 313.741 1.907 20 5 DDBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@](C)(C[NH3+])C1 ZINC000261663151 407572935 /nfs/dbraw/zinc/57/29/35/407572935.db2.gz IKXDHGZTFKZTPR-XHDPSFHLSA-N 1 0 306.366 1.593 20 5 DDBDRO CC[N@@H+](Cc1ccccc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266511437 407539749 /nfs/dbraw/zinc/53/97/49/407539749.db2.gz YIOXSEUTBXAFPN-OAHLLOKOSA-N 1 0 304.350 1.674 20 5 DDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000261598546 407546561 /nfs/dbraw/zinc/54/65/61/407546561.db2.gz QGXMLQKAZQJKJQ-GFCCVEGCSA-N 1 0 315.395 1.555 20 5 DDBDRO Cc1c(NC(=O)[C@H](C)[N@@H+](C)CC[C@H](C)O)cccc1[N+](=O)[O-] ZINC000266715976 407611694 /nfs/dbraw/zinc/61/16/94/407611694.db2.gz FZJDZVBFMYRHMB-JQWIXIFHSA-N 1 0 309.366 1.933 20 5 DDBDRO C[C@@H]1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000261895407 407659769 /nfs/dbraw/zinc/65/97/69/407659769.db2.gz VSMWSSXNCSATSU-NEPJUHHUSA-N 1 0 306.366 1.593 20 5 DDBDRO [NH3+]CC[C@H]1CCCN(CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000261813871 407625635 /nfs/dbraw/zinc/62/56/35/407625635.db2.gz ADUBCYQAELLYMU-GFCCVEGCSA-N 1 0 306.366 1.594 20 5 DDBDRO C[NH+](C)CC1(CNC(=O)Cn2ccc([N+](=O)[O-])n2)CCCC1 ZINC000186177850 407594297 /nfs/dbraw/zinc/59/42/97/407594297.db2.gz ZHLUWVOTSKHAFU-UHFFFAOYSA-N 1 0 309.370 1.030 20 5 DDBDRO C[NH2+]C[C@H]1CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000178981213 407679617 /nfs/dbraw/zinc/67/96/17/407679617.db2.gz ZQWXJSDNYJJIET-LLVKDONJSA-N 1 0 318.377 1.851 20 5 DDBDRO O=C(C[NH2+]C[C@H]1CCCO1)NCCc1ccc([N+](=O)[O-])cc1 ZINC000152756892 407683066 /nfs/dbraw/zinc/68/30/66/407683066.db2.gz QWQFDECQYRGCAC-CQSZACIVSA-N 1 0 307.350 1.022 20 5 DDBDRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000186692547 407745139 /nfs/dbraw/zinc/74/51/39/407745139.db2.gz CNGILVBRZRAGIB-ZANVPECISA-N 1 0 311.769 1.905 20 5 DDBDRO CCCC[C@H](C[NH3+])NS(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000236747679 407766848 /nfs/dbraw/zinc/76/68/48/407766848.db2.gz VUQHGIHRKNCPEN-LLVKDONJSA-N 1 0 315.395 1.699 20 5 DDBDRO C[C@@H](CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[NH+](C)C ZINC000451925151 286876551 /nfs/dbraw/zinc/87/65/51/286876551.db2.gz FQWZWTGXKBAJBP-QMMMGPOBSA-N 1 0 321.786 1.477 20 5 DDBDRO Cc1ccc(S(=O)(=O)NC[C@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000237748854 407841513 /nfs/dbraw/zinc/84/15/13/407841513.db2.gz JTBWQQNVVMSLQG-NSHDSACASA-N 1 0 313.379 1.181 20 5 DDBDRO C[NH+](C)[C@@H]1CCC[C@@H](Nc2ncc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000267266613 407811856 /nfs/dbraw/zinc/81/18/56/407811856.db2.gz LKTGPDKAFMGZAF-NXEZZACHSA-N 1 0 307.354 1.373 20 5 DDBDRO Cc1nn(CCC(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)c(C)c1[N+](=O)[O-] ZINC000237412029 407817836 /nfs/dbraw/zinc/81/78/36/407817836.db2.gz FZJVGLAQPUGZEM-GWCFXTLKSA-N 1 0 323.397 1.384 20 5 DDBDRO Cc1c(NC(=O)C(=O)NCC[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000172304922 407818927 /nfs/dbraw/zinc/81/89/27/407818927.db2.gz ODCNVRPMDGUSOS-UHFFFAOYSA-N 1 0 320.349 1.054 20 5 DDBDRO Cc1ccc(S(=O)(=O)N2CC[C@@H]([NH3+])C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000237635006 407831438 /nfs/dbraw/zinc/83/14/38/407831438.db2.gz QVNWFSCSXOUMKT-WDEREUQCSA-N 1 0 313.379 1.404 20 5 DDBDRO C[C@H]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000262554802 407864443 /nfs/dbraw/zinc/86/44/43/407864443.db2.gz TWNBTKQQZQVJQZ-GXFFZTMASA-N 1 0 306.366 1.110 20 5 DDBDRO COc1cc(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000153771213 407897305 /nfs/dbraw/zinc/89/73/05/407897305.db2.gz BNUXUKCAWKBFNT-LBPRGKRZSA-N 1 0 307.350 1.770 20 5 DDBDRO C[NH+](C)C[C@@H]1CCCN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000268128443 407905054 /nfs/dbraw/zinc/90/50/54/407905054.db2.gz LWBLSJZRXUBDTP-ZDUSSCGKSA-N 1 0 321.377 1.916 20 5 DDBDRO CC[NH2+][C@H](C)CNS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000262472548 407843176 /nfs/dbraw/zinc/84/31/76/407843176.db2.gz PEMBWBXPZYCAPQ-SNVBAGLBSA-N 1 0 301.368 1.180 20 5 DDBDRO O=C(NCC[NH+]1CCCC1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000180007540 407846174 /nfs/dbraw/zinc/84/61/74/407846174.db2.gz ORTDHRYRVGSQLW-UHFFFAOYSA-N 1 0 307.306 1.149 20 5 DDBDRO CCOc1ccc(C(=O)N2CC[NH2+][C@@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000262782438 407927168 /nfs/dbraw/zinc/92/71/68/407927168.db2.gz LSRKCOPXCLNIDQ-QWRGUYRKSA-N 1 0 307.350 1.816 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@H](CO)c2ccc(Cl)cc2)c1 ZINC000273075924 408046669 /nfs/dbraw/zinc/04/66/69/408046669.db2.gz GKTDTSBWIQBVJR-ZDUSSCGKSA-N 1 0 310.741 1.768 20 5 DDBDRO C[C@H](O)[C@@H]1CCCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181859034 408048713 /nfs/dbraw/zinc/04/87/13/408048713.db2.gz VJYJQXLRXJWSBF-IHRRRGAJSA-N 1 0 324.377 1.570 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCO[C@H]2CCC[C@@H]21 ZINC000273084923 408049376 /nfs/dbraw/zinc/04/93/76/408049376.db2.gz YOOSLURCAYKTKK-IPYPFGDCSA-N 1 0 322.361 1.588 20 5 DDBDRO COCCOC1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000154327910 408019988 /nfs/dbraw/zinc/01/99/88/408019988.db2.gz KRPMZFPZIOHFJL-INIZCTEOSA-N 1 0 324.377 1.756 20 5 DDBDRO CC[C@]1(CO)CCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000189660487 408071912 /nfs/dbraw/zinc/07/19/12/408071912.db2.gz BLJGYCRDLPDMAZ-XJKSGUPXSA-N 1 0 324.377 1.571 20 5 DDBDRO C[C@@H]([NH2+]CC(=O)N1C[C@@H](C)O[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000246065766 408131614 /nfs/dbraw/zinc/13/16/14/408131614.db2.gz RYCBUHZMEQVJRW-FRRDWIJNSA-N 1 0 321.377 1.881 20 5 DDBDRO Cc1c([C@@H](C)[NH2+]CCCNS(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000121208396 408164404 /nfs/dbraw/zinc/16/44/04/408164404.db2.gz CPXILKCECHVFQQ-LLVKDONJSA-N 1 0 315.395 1.493 20 5 DDBDRO COC(=O)[C@@]1(C)CC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000246221498 408182258 /nfs/dbraw/zinc/18/22/58/408182258.db2.gz DPESEKAWIDKYPG-HIFRSBDPSA-N 1 0 308.334 1.513 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000156660741 408270276 /nfs/dbraw/zinc/27/02/76/408270276.db2.gz YUBNZKXZQOKQEE-ZYHUDNBSSA-N 1 0 309.370 1.076 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)c1[N+](=O)[O-] ZINC000269328123 408271689 /nfs/dbraw/zinc/27/16/89/408271689.db2.gz DMSYRUHWKIRJJX-MNOVXSKESA-N 1 0 321.381 1.750 20 5 DDBDRO O=C(C1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1)N1CCCC1 ZINC000176200557 408306615 /nfs/dbraw/zinc/30/66/15/408306615.db2.gz VJMGMOFVVYOHPQ-UHFFFAOYSA-N 1 0 321.381 1.126 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@@H](C)[C@H](CO)C1 ZINC000190862196 408334086 /nfs/dbraw/zinc/33/40/86/408334086.db2.gz ONVIWAJOJUSOJD-OLZOCXBDSA-N 1 0 321.377 1.792 20 5 DDBDRO O=C(Cc1ccccc1[N+](=O)[O-])N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000171450977 162219261 /nfs/dbraw/zinc/21/92/61/162219261.db2.gz GVJAFOQUFJNPBU-CQSZACIVSA-N 1 0 303.362 1.834 20 5 DDBDRO CC(C)C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N)[NH+](C)C ZINC000191618892 408457016 /nfs/dbraw/zinc/45/70/16/408457016.db2.gz LXJNVPZLEVZGJX-LBPRGKRZSA-N 1 0 308.382 1.883 20 5 DDBDRO CN(CC1CC[NH+](C)CC1)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000264208040 408404026 /nfs/dbraw/zinc/40/40/26/408404026.db2.gz LSQRLIBEHSQISR-UHFFFAOYSA-N 1 0 305.378 1.938 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000247212956 408430310 /nfs/dbraw/zinc/43/03/10/408430310.db2.gz PYQOCSXXNYEPFO-STQMWFEESA-N 1 0 323.393 1.490 20 5 DDBDRO CCCc1n[nH]c(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000247289835 408444519 /nfs/dbraw/zinc/44/45/19/408444519.db2.gz GJQNSQADNRSFSJ-WDEREUQCSA-N 1 0 323.397 1.825 20 5 DDBDRO C[C@@H](O)[C@H]1CCCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000264410916 408479220 /nfs/dbraw/zinc/47/92/20/408479220.db2.gz JNOAHRHTJIKRKO-ZWNOBZJWSA-N 1 0 307.350 1.429 20 5 DDBDRO CCOC(=O)[C@@](C)(O)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000274671089 408489475 /nfs/dbraw/zinc/48/94/75/408489475.db2.gz SMIZFFYUXRXEKP-NHYWBVRUSA-N 1 0 310.350 1.868 20 5 DDBDRO C[C@@H]1C[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2N)C[N@@H+]1C1CC1 ZINC000177121108 408524586 /nfs/dbraw/zinc/52/45/86/408524586.db2.gz UMKKDXRQWQXLLT-NXEZZACHSA-N 1 0 304.350 1.532 20 5 DDBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000176856165 408460954 /nfs/dbraw/zinc/46/09/54/408460954.db2.gz GHEMGSHEVLHVBA-SNVBAGLBSA-N 1 0 315.395 1.743 20 5 DDBDRO C[C@@H]1C[C@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2N)CC[N@@H+]1C ZINC000176868357 408461670 /nfs/dbraw/zinc/46/16/70/408461670.db2.gz NKLJEFKFQBVKBO-GHMZBOCLSA-N 1 0 306.366 1.732 20 5 DDBDRO CC[C@H]1CN(Cc2csc([N+](=O)[O-])c2)CC[N@@H+]1C[C@H](C)O ZINC000247392329 408462705 /nfs/dbraw/zinc/46/27/05/408462705.db2.gz XGBSDKIGFSONRA-AAEUAGOBSA-N 1 0 313.423 1.933 20 5 DDBDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000176872617 408463357 /nfs/dbraw/zinc/46/33/57/408463357.db2.gz FWBYOLKGXQJDHN-AWEZNQCLSA-N 1 0 323.393 1.990 20 5 DDBDRO C[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CCSC1 ZINC000248465299 408574112 /nfs/dbraw/zinc/57/41/12/408574112.db2.gz RLDNYIMREMTOMM-RYUDHWBXSA-N 1 0 312.391 1.772 20 5 DDBDRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)COc3ccc([N+](=O)[O-])cc3)C[C@H]12 ZINC000248591904 408592387 /nfs/dbraw/zinc/59/23/87/408592387.db2.gz HGBHGCHNYGECGN-DDTOSNHZSA-N 1 0 305.334 1.169 20 5 DDBDRO [NH3+][C@H]1CCC[C@H](NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000160873998 408535414 /nfs/dbraw/zinc/53/54/14/408535414.db2.gz AOMQAEYXTOARRG-IUCAKERBSA-N 1 0 303.322 1.471 20 5 DDBDRO COC[C@@H](O)C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000265429938 408647335 /nfs/dbraw/zinc/64/73/35/408647335.db2.gz RPYXXZDQSXKHMD-AWEZNQCLSA-N 1 0 320.349 1.092 20 5 DDBDRO C[NH+](C)[C@H]1CCCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000177536951 408649549 /nfs/dbraw/zinc/64/95/49/408649549.db2.gz NQTDGHSRCPQENP-ZDUSSCGKSA-N 1 0 320.349 1.086 20 5 DDBDRO C[C@@H](O)C[N@@H+]1CCN(CCOc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000192820582 408654799 /nfs/dbraw/zinc/65/47/99/408654799.db2.gz HFDYUOJMAWLYAP-UONOGXRCSA-N 1 0 323.393 1.361 20 5 DDBDRO CCn1ncnc1CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000193429367 408719328 /nfs/dbraw/zinc/71/93/28/408719328.db2.gz JUCKSPZDRFEXFM-LLVKDONJSA-N 1 0 317.353 1.288 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCCC[C@@H]1CCO ZINC000194363753 408778766 /nfs/dbraw/zinc/77/87/66/408778766.db2.gz RRXQJFBHQZREMB-ZIAGYGMSSA-N 1 0 324.377 1.571 20 5 DDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@](C)(C(N)=O)C1 ZINC000280795051 408835224 /nfs/dbraw/zinc/83/52/24/408835224.db2.gz RLWJNBRSEQYRJB-BMIGLBTASA-N 1 0 320.349 1.119 20 5 DDBDRO C[N@H+](C[C@@H](O)Cn1cc(-c2ccccc2[N+](=O)[O-])cn1)C1CC1 ZINC000290802664 408835540 /nfs/dbraw/zinc/83/55/40/408835540.db2.gz QAMMDGPRACTLPS-CQSZACIVSA-N 1 0 316.361 1.913 20 5 DDBDRO CC(=O)c1cc(N2CCC([NH2+]CCO)CC2)ccc1[N+](=O)[O-] ZINC000290920090 408853475 /nfs/dbraw/zinc/85/34/75/408853475.db2.gz IAZJIVCVNJXWOH-UHFFFAOYSA-N 1 0 307.350 1.348 20 5 DDBDRO CC(C)[NH+]1CCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CC1 ZINC000280929673 408860580 /nfs/dbraw/zinc/86/05/80/408860580.db2.gz HDSDGYGYLKCJOD-UHFFFAOYSA-N 1 0 317.349 1.774 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@H]2CCC[N@H+]2C)c1 ZINC000281735319 408920024 /nfs/dbraw/zinc/92/00/24/408920024.db2.gz XUPJVOLNZOUNRI-CYBMUJFWSA-N 1 0 321.377 1.883 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H]1CCC[NH2+]CC1 ZINC000226460633 163336402 /nfs/dbraw/zinc/33/64/02/163336402.db2.gz MAJBEIAGCIPNMC-NSHDSACASA-N 1 0 313.379 1.324 20 5 DDBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000286303149 408959378 /nfs/dbraw/zinc/95/93/78/408959378.db2.gz XOVAMFQPHRBTDA-WQGACYEGSA-N 1 0 320.393 1.900 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000277609206 408976593 /nfs/dbraw/zinc/97/65/93/408976593.db2.gz PNOPMVSYYFROCT-ZIAGYGMSSA-N 1 0 319.361 1.960 20 5 DDBDRO C[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C1(CO)CCC1 ZINC000292123166 408984533 /nfs/dbraw/zinc/98/45/33/408984533.db2.gz KKODWHSZMCCWRK-LBPRGKRZSA-N 1 0 310.350 1.181 20 5 DDBDRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2CCn1cc([N+](=O)[O-])ccc1=O ZINC000286435530 408985105 /nfs/dbraw/zinc/98/51/05/408985105.db2.gz JBFVOYUNKKICJH-BOOVAVIHSA-N 1 0 319.361 1.112 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)n1 ZINC000277721538 408999271 /nfs/dbraw/zinc/99/92/71/408999271.db2.gz JFNYJKUPLUQVRD-GXSJLCMTSA-N 1 0 322.287 1.427 20 5 DDBDRO C[N@@H+]1CCN(CCNc2cc(N)ccc2[N+](=O)[O-])CC1(C)C ZINC000282318077 409032443 /nfs/dbraw/zinc/03/24/43/409032443.db2.gz TUHUJKMFBQNKBY-UHFFFAOYSA-N 1 0 307.398 1.615 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)n1 ZINC000287723347 409082092 /nfs/dbraw/zinc/08/20/92/409082092.db2.gz FKUQSNPAWRNZQE-NXEZZACHSA-N 1 0 320.349 1.814 20 5 DDBDRO Cc1cc([N+](=O)[O-])cnc1N(C)CCC[N@@H+](C)CCN(C)C ZINC000288869012 409190730 /nfs/dbraw/zinc/19/07/30/409190730.db2.gz LFOIXIDHAHNUNL-UHFFFAOYSA-N 1 0 309.414 1.618 20 5 DDBDRO C[C@@H]([NH2+]CC1(C(N)=O)CCOCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293740354 409171941 /nfs/dbraw/zinc/17/19/41/409171941.db2.gz NNJLDZCQQQWVSH-SNVBAGLBSA-N 1 0 322.365 1.110 20 5 DDBDRO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000289542608 409281347 /nfs/dbraw/zinc/28/13/47/409281347.db2.gz BQXURDDJKNKXQN-ZJUUUORDSA-N 1 0 315.333 1.153 20 5 DDBDRO C[C@@H](O)C[N@@H+]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000284350123 409330069 /nfs/dbraw/zinc/33/00/69/409330069.db2.gz 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NC(=O)c1ccnc(N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000290448205 409406204 /nfs/dbraw/zinc/40/62/04/409406204.db2.gz CWCJKQDCJIMTLG-GHMZBOCLSA-N 1 0 305.338 1.127 20 5 DDBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCN2CCO[C@H]1C2 ZINC000295307464 409424151 /nfs/dbraw/zinc/42/41/51/409424151.db2.gz FSZXYKGUUZMDTI-HOTGVXAUSA-N 1 0 321.377 1.379 20 5 DDBDRO CC(C)[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1nncn1C ZINC000285416001 409437436 /nfs/dbraw/zinc/43/74/36/409437436.db2.gz PWTFPMTXVCHTAM-UONOGXRCSA-N 1 0 319.365 1.744 20 5 DDBDRO COc1ccc(S(=O)(=O)N[C@@H](C)CCC[NH3+])cc1[N+](=O)[O-] ZINC000313811179 164011525 /nfs/dbraw/zinc/01/15/25/164011525.db2.gz IPOSEGORNISZEY-VIFPVBQESA-N 1 0 317.367 1.009 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCCC[NH+]2CCCC2)n1 ZINC000317881980 164030134 /nfs/dbraw/zinc/03/01/34/164030134.db2.gz OXKFDYVYUYSLMW-UHFFFAOYSA-N 1 0 308.338 1.674 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000408050319 164209275 /nfs/dbraw/zinc/20/92/75/164209275.db2.gz CXQOYOBUYFKWAK-LBPRGKRZSA-N 1 0 321.381 1.132 20 5 DDBDRO CN(C)CC[N@H+](C)CCCN(C)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000290720646 409497366 /nfs/dbraw/zinc/49/73/66/409497366.db2.gz VJPNPJXUABUJJI-UHFFFAOYSA-N 1 0 322.409 1.550 20 5 DDBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CN(C)CCN1C ZINC000344918381 409554829 /nfs/dbraw/zinc/55/48/29/409554829.db2.gz XOFRILVQWCBZRH-RKCSUWQLSA-N 1 0 318.421 1.834 20 5 DDBDRO CN(c1nc2sccn2c1[N+](=O)[O-])[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000354079590 409636797 /nfs/dbraw/zinc/63/67/97/409636797.db2.gz IXEXWCJLXITCFO-SNVBAGLBSA-N 1 0 307.379 1.977 20 5 DDBDRO CC(C)[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCOCC1 ZINC000304288114 409594962 /nfs/dbraw/zinc/59/49/62/409594962.db2.gz BHOJTAQHTXCNSL-CQSZACIVSA-N 1 0 312.370 1.042 20 5 DDBDRO CN(C(=O)c1c([N+](=O)[O-])cnn1C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000342501807 409681844 /nfs/dbraw/zinc/68/18/44/409681844.db2.gz WXMUEGUVVLILJI-ZACCUICWSA-N 1 0 307.354 1.026 20 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409892742 /nfs/dbraw/zinc/89/27/42/409892742.db2.gz GBYSUBVULRFRKP-UHFFFAOYSA-N 1 0 317.349 1.937 20 5 DDBDRO C[C@H]1C[C@H](NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC[N@@H+]1C ZINC000332239814 410007386 /nfs/dbraw/zinc/00/73/86/410007386.db2.gz IOIPQZRZMLZKKB-VHSXEESVSA-N 1 0 317.349 1.684 20 5 DDBDRO C[C@H]1C[C@@H](NC(=O)CCNc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000357392605 410011054 /nfs/dbraw/zinc/01/10/54/410011054.db2.gz OAOIUFQQRAXKPC-STQMWFEESA-N 1 0 320.393 1.996 20 5 DDBDRO Cc1ccc(NC(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000332229690 409998300 /nfs/dbraw/zinc/99/83/00/409998300.db2.gz NZIDABJYORGGTM-VXGBXAGGSA-N 1 0 304.350 1.976 20 5 DDBDRO COc1ccc(CN2CCO[C@@H]3CC[N@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000332321981 410065776 /nfs/dbraw/zinc/06/57/76/410065776.db2.gz RORRSKDNHWUOAB-GDBMZVCRSA-N 1 0 321.377 1.508 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@@H]3CC[N@@H+](C)C[C@@H]32)c1 ZINC000332336399 410077347 /nfs/dbraw/zinc/07/73/47/410077347.db2.gz VYAMZIJWPVXMIO-LSDHHAIUSA-N 1 0 319.361 1.448 20 5 DDBDRO C[C@H]1CN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@H]1O ZINC000351779759 410230064 /nfs/dbraw/zinc/23/00/64/410230064.db2.gz KJRSNMHUEZBJHK-JOYOIKCWSA-N 1 0 304.306 1.457 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@H]([C@H](C)[NH3+])C1 ZINC000351864494 410305325 /nfs/dbraw/zinc/30/53/25/410305325.db2.gz YIICHPTVCPBMDO-RYUDHWBXSA-N 1 0 306.366 1.511 20 5 DDBDRO C[C@H](CN1CCOCC1)Nc1ccc([N+](=O)[O-])c2nonc21 ZINC000298729037 410370624 /nfs/dbraw/zinc/37/06/24/410370624.db2.gz RLYVKAHHTWKOHJ-SECBINFHSA-N 1 0 307.310 1.264 20 5 DDBDRO C[NH+](C)[C@H](CNC(=O)Cn1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000298745182 410380503 /nfs/dbraw/zinc/38/05/03/410380503.db2.gz YAPWAWYTSYRZKA-CYBMUJFWSA-N 1 0 317.349 1.210 20 5 DDBDRO CC1=CC[N@H+](CCNC(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000355356046 410466844 /nfs/dbraw/zinc/46/68/44/410466844.db2.gz POCXFTJUKWBTDF-UHFFFAOYSA-N 1 0 303.362 1.906 20 5 DDBDRO COC[C@H]1CC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000352233283 410566638 /nfs/dbraw/zinc/56/66/38/410566638.db2.gz BOHGUXSLWWWKEN-WFASDCNBSA-N 1 0 319.361 1.668 20 5 DDBDRO COCC[N@@H+]1CC[C@@H](Nc2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000347469557 410568204 /nfs/dbraw/zinc/56/82/04/410568204.db2.gz ZADUZMMJPMHGDP-LLVKDONJSA-N 1 0 317.349 1.671 20 5 DDBDRO C[N@H+](CCNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C1CC1 ZINC000340095663 410672785 /nfs/dbraw/zinc/67/27/85/410672785.db2.gz PSBXXPQKODRJPV-UHFFFAOYSA-N 1 0 316.361 1.829 20 5 DDBDRO CCOc1cc(N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000579935189 422859348 /nfs/dbraw/zinc/85/93/48/422859348.db2.gz PYMQBFCQTDSNTL-HUUCEWRRSA-N 1 0 321.377 1.903 20 5 DDBDRO CC[C@H](C(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1)[NH+](C)C ZINC000359615859 410774990 /nfs/dbraw/zinc/77/49/90/410774990.db2.gz MQLYJZCMOQCTNI-CYBMUJFWSA-N 1 0 307.350 1.656 20 5 DDBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000330586574 410801724 /nfs/dbraw/zinc/80/17/24/410801724.db2.gz LSOFUORHDRJYCT-CHWSQXEVSA-N 1 0 320.393 1.582 20 5 DDBDRO C[C@H]1CC[N@H+](C)CCN1C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000340296755 410835578 /nfs/dbraw/zinc/83/55/78/410835578.db2.gz FZKXDSNZLRYZSP-ZDUSSCGKSA-N 1 0 320.393 1.873 20 5 DDBDRO Cn1nc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000356146810 410863138 /nfs/dbraw/zinc/86/31/38/410863138.db2.gz IIPWPIXSWSDYMZ-NSHDSACASA-N 1 0 323.378 1.423 20 5 DDBDRO C[C@H]1C[N@H+](C)CCN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000330675601 410869796 /nfs/dbraw/zinc/86/97/96/410869796.db2.gz SHEYVHVRYBCDAE-NSHDSACASA-N 1 0 317.349 1.781 20 5 DDBDRO Cn1c(C(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)ccc1[N+](=O)[O-] ZINC000356300133 410954630 /nfs/dbraw/zinc/95/46/30/410954630.db2.gz OERNBOUUNRRSMO-HNNXBMFYSA-N 1 0 306.366 1.491 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC([NH+](C)C)CC1 ZINC000331127650 410964331 /nfs/dbraw/zinc/96/43/31/410964331.db2.gz FAEQBKKMVQISCW-UHFFFAOYSA-N 1 0 307.350 1.770 20 5 DDBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](CC3(O)CCCC3)C2)nc1 ZINC000331420061 411079866 /nfs/dbraw/zinc/07/98/66/411079866.db2.gz KTPOLQGHQZDGFG-GFCCVEGCSA-N 1 0 306.366 1.781 20 5 DDBDRO O=C1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)[C@H]2CCCCN12 ZINC000337852914 411033573 /nfs/dbraw/zinc/03/35/73/411033573.db2.gz JYMWQCNIJKHMTL-ZIAGYGMSSA-N 1 0 307.325 1.977 20 5 DDBDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000341412507 411041789 /nfs/dbraw/zinc/04/17/89/411041789.db2.gz JUBKZESYBCECSE-PHIMTYICSA-N 1 0 322.365 1.688 20 5 DDBDRO C[NH+](C)CCN1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000131869930 196205317 /nfs/dbraw/zinc/20/53/17/196205317.db2.gz MCFDBWYETSDRNS-UHFFFAOYSA-N 1 0 324.356 1.053 20 5 DDBDRO C[C@H]1CCC[C@@](CNC(=O)c2[nH]ncc2[N+](=O)[O-])([NH+](C)C)C1 ZINC000137899083 196581417 /nfs/dbraw/zinc/58/14/17/196581417.db2.gz DDEKFQDNLRUUOJ-IINYFYTJSA-N 1 0 309.370 1.558 20 5 DDBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1ccnc(NC)c1[N+](=O)[O-] ZINC000520780150 416977919 /nfs/dbraw/zinc/97/79/19/416977919.db2.gz FSJVPJRHOPMGMV-SNVBAGLBSA-N 1 0 309.370 1.492 20 5 DDBDRO C[C@@H]1CN(CCO)[C@@H](C)CN1c1ccc([N+](=O)[O-])c(N)c1F ZINC000418996945 226000291 /nfs/dbraw/zinc/00/02/91/226000291.db2.gz FSHWWNFVEOOGTB-VHSXEESVSA-N 1 0 312.345 1.207 20 5 DDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360561817 418464711 /nfs/dbraw/zinc/46/47/11/418464711.db2.gz KDHLEFXSBTVQEX-MLGOLLRUSA-N 1 0 318.377 1.607 20 5 DDBDRO C[N@H+]1C[C@H]2CN(C(=O)CSc3ccc([N+](=O)[O-])cc3)C[C@H]2C1 ZINC000192494392 418523418 /nfs/dbraw/zinc/52/34/18/418523418.db2.gz XWORMIIOOYOLMX-TXEJJXNPSA-N 1 0 321.402 1.707 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](C)C[NH+](C)C)c1C ZINC000286709135 418573753 /nfs/dbraw/zinc/57/37/53/418573753.db2.gz MQNGNRKTJZTXHR-JTQLQIEISA-N 1 0 315.395 1.440 20 5 DDBDRO CNc1c(C(=O)N[C@H]2CCC[N@H+](C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000360931173 418549352 /nfs/dbraw/zinc/54/93/52/418549352.db2.gz MHWBMPPJSHRXCT-PWSUYJOCSA-N 1 0 306.366 1.849 20 5 DDBDRO CC(C)C[C@H]1C(=O)NCCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000189819960 222058612 /nfs/dbraw/zinc/05/86/12/222058612.db2.gz MIGZUHHGJHDCOT-HNNXBMFYSA-N 1 0 321.377 1.820 20 5 DDBDRO COCC[N@H+](C)CCCNC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000193200391 222146258 /nfs/dbraw/zinc/14/62/58/222146258.db2.gz FEBHCQDELVBYDJ-UHFFFAOYSA-N 1 0 324.381 1.362 20 5 DDBDRO C[C@H]1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)[C@@H](C)[C@H]1[NH3+] ZINC000297404307 227120459 /nfs/dbraw/zinc/12/04/59/227120459.db2.gz PQFJTMBEXNNZCS-RVBZMBCESA-N 1 0 317.349 1.669 20 5 DDBDRO C[C@H](c1nncn1C)N1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000367881545 418651432 /nfs/dbraw/zinc/65/14/32/418651432.db2.gz SDLZOKVFIWHHNH-MNOVXSKESA-N 1 0 305.342 1.318 20 5 DDBDRO COC[C@@](C)([NH3+])CNc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000341255509 418624915 /nfs/dbraw/zinc/62/49/15/418624915.db2.gz DUFHVHYSGGKIHI-INIZCTEOSA-N 1 0 316.361 2.433 20 5 DDBDRO CCCCNC(=O)[C@@H](C)N1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375399820 418634765 /nfs/dbraw/zinc/63/47/65/418634765.db2.gz AXNSRNNSIYELME-CHWSQXEVSA-N 1 0 323.397 1.733 20 5 DDBDRO CC(C)c1ccc(C[N@@H+]2CCC[C@](O)(C(N)=O)C2)cc1[N+](=O)[O-] ZINC000375532146 418655554 /nfs/dbraw/zinc/65/55/54/418655554.db2.gz IKKVKCXOSSGCDU-MRXNPFEDSA-N 1 0 321.377 1.530 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000382482727 418731452 /nfs/dbraw/zinc/73/14/52/418731452.db2.gz XOMGIOGIROLBDC-WDEREUQCSA-N 1 0 313.379 1.309 20 5 DDBDRO CC(C)C[N@@H+]1CCCN(c2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000371343293 418780708 /nfs/dbraw/zinc/78/07/08/418780708.db2.gz CRSRXNYSNHKSHW-UHFFFAOYSA-N 1 0 318.381 1.806 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1CN1CC[N@H+](C)CC12CCCCC2 ZINC000361939920 418727632 /nfs/dbraw/zinc/72/76/32/418727632.db2.gz OSSPHINXKIGTMQ-UHFFFAOYSA-N 1 0 307.398 1.779 20 5 DDBDRO CNC(=O)[C@H]1CCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411186085 418877618 /nfs/dbraw/zinc/87/76/18/418877618.db2.gz IRDVWCIBKFJUMQ-CYBMUJFWSA-N 1 0 320.349 1.134 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000365249231 418846063 /nfs/dbraw/zinc/84/60/63/418846063.db2.gz PZTQGNJCHGFBFZ-VXGBXAGGSA-N 1 0 319.361 1.960 20 5 DDBDRO COc1cc(C(=O)N2CCC[C@H]3C[NH2+]C[C@H]32)cc([N+](=O)[O-])c1C ZINC000423742154 227650745 /nfs/dbraw/zinc/65/07/45/227650745.db2.gz UHXKVXMPVWFHIR-SMDDNHRTSA-N 1 0 319.361 1.736 20 5 DDBDRO CC(C)[C@](C)(CO)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000411744285 419396345 /nfs/dbraw/zinc/39/63/45/419396345.db2.gz GQNKSXCRQALYLH-HNNXBMFYSA-N 1 0 309.366 1.920 20 5 DDBDRO CC(C)[C@@](C)(CO)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411749347 419398094 /nfs/dbraw/zinc/39/80/94/419398094.db2.gz OEMAFMYEQZOPCQ-OAHLLOKOSA-N 1 0 309.366 1.920 20 5 DDBDRO COc1cc(C[NH2+]CC2(CC(N)=O)CC2)c([N+](=O)[O-])cc1O ZINC000421348457 419576944 /nfs/dbraw/zinc/57/69/44/419576944.db2.gz GIMWYDGUQICVJB-UHFFFAOYSA-N 1 0 309.322 1.054 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC1(CC(N)=O)CC1 ZINC000421348726 419578014 /nfs/dbraw/zinc/57/80/14/419578014.db2.gz GZWOIUMHRVFIJV-UHFFFAOYSA-N 1 0 307.350 1.739 20 5 DDBDRO CNC(=O)NC1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000412056783 419606116 /nfs/dbraw/zinc/60/61/16/419606116.db2.gz UZGVIYCJISUIJI-UHFFFAOYSA-N 1 0 322.365 1.367 20 5 DDBDRO COc1cccc(C(=O)N(C)C[C@H]2CCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000421709844 419691778 /nfs/dbraw/zinc/69/17/78/419691778.db2.gz HKVLXAYGWAEIJC-LLVKDONJSA-N 1 0 307.350 1.770 20 5 DDBDRO C[C@H](C[NH3+])CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000418463161 419815738 /nfs/dbraw/zinc/81/57/38/419815738.db2.gz CHUNUGYGRZCRRP-LLVKDONJSA-N 1 0 306.366 1.864 20 5 DDBDRO COCC[NH2+]CCNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000418498482 419837493 /nfs/dbraw/zinc/83/74/93/419837493.db2.gz MGQXWOFUJCVHLN-UHFFFAOYSA-N 1 0 324.381 1.365 20 5 DDBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NCC1([NH3+])CCC1 ZINC000418507682 419843031 /nfs/dbraw/zinc/84/30/31/419843031.db2.gz JCHJGQNDIDQQJK-UHFFFAOYSA-N 1 0 306.366 1.660 20 5 DDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000428035780 419797411 /nfs/dbraw/zinc/79/74/11/419797411.db2.gz VWWQWKZXIGQVRL-TYNCELHUSA-N 1 0 318.377 1.606 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000435240897 229366395 /nfs/dbraw/zinc/36/63/95/229366395.db2.gz CMLWCPUIEMAPNW-CQSZACIVSA-N 1 0 318.377 1.668 20 5 DDBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000423355971 420023843 /nfs/dbraw/zinc/02/38/43/420023843.db2.gz GCHPJJCJACRMQK-LALPHHSUSA-N 1 0 320.393 1.900 20 5 DDBDRO C[NH2+][C@H]1CCCN(C(=O)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000415356801 420034884 /nfs/dbraw/zinc/03/48/84/420034884.db2.gz HWYOHIUVGFVBHJ-LBPRGKRZSA-N 1 0 320.349 1.052 20 5 DDBDRO COc1ccc(NC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-] ZINC000415438127 420066676 /nfs/dbraw/zinc/06/66/76/420066676.db2.gz LQCVJZXSMNZSQZ-TXEJJXNPSA-N 1 0 320.349 1.962 20 5 DDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000423644808 420111601 /nfs/dbraw/zinc/11/16/01/420111601.db2.gz PNLYNVPHBVTYMZ-LBPRGKRZSA-N 1 0 318.377 1.639 20 5 DDBDRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000423646451 420111685 /nfs/dbraw/zinc/11/16/85/420111685.db2.gz PQPTZDCLAOGECZ-FZMZJTMJSA-N 1 0 306.366 1.735 20 5 DDBDRO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000423653070 420115224 /nfs/dbraw/zinc/11/52/24/420115224.db2.gz YMPSBCRHFZMONJ-PWSUYJOCSA-N 1 0 315.333 1.342 20 5 DDBDRO COCC[NH2+]CCNC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000423524834 420071058 /nfs/dbraw/zinc/07/10/58/420071058.db2.gz TTYVXMWJWXFUDU-UHFFFAOYSA-N 1 0 309.366 1.684 20 5 DDBDRO CCO[C@H]1COCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1OC ZINC000430206036 420089666 /nfs/dbraw/zinc/08/96/66/420089666.db2.gz VNVZUMZRCBOEPX-HIFRSBDPSA-N 1 0 310.350 1.887 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H](C(N)=O)CC[C@H]1C ZINC000430226207 420091574 /nfs/dbraw/zinc/09/15/74/420091574.db2.gz MSQGDHJVRYWODF-PWSUYJOCSA-N 1 0 307.350 1.689 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000415505450 420092914 /nfs/dbraw/zinc/09/29/14/420092914.db2.gz QGPROAYXQNJRFI-ZJUUUORDSA-N 1 0 308.338 1.804 20 5 DDBDRO [NH3+][C@H]1CCCC[C@@H]1CC(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000423823155 420208800 /nfs/dbraw/zinc/20/88/00/420208800.db2.gz HMCLUGRYNAUOQB-RISCZKNCSA-N 1 0 318.377 1.782 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000430580659 420145658 /nfs/dbraw/zinc/14/56/58/420145658.db2.gz FGOZRXLWMMYBCO-OLZOCXBDSA-N 1 0 318.377 1.668 20 5 DDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000415754885 420168281 /nfs/dbraw/zinc/16/82/81/420168281.db2.gz CEWSTIFFLNHYRI-TXEJJXNPSA-N 1 0 304.350 1.840 20 5 DDBDRO C[C@H]([NH3+])[C@H]1CCCCN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000430646233 420168917 /nfs/dbraw/zinc/16/89/17/420168917.db2.gz DRNWBZMVZHUZLP-SWLSCSKDSA-N 1 0 320.393 1.759 20 5 DDBDRO C[NH2+]C[C@H]1CCN(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000430953088 420221828 /nfs/dbraw/zinc/22/18/28/420221828.db2.gz GAHLKHYVXJAPLG-GFCCVEGCSA-N 1 0 306.366 1.383 20 5 DDBDRO C[C@@H]1CN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC[NH2+]1 ZINC000420342599 420223474 /nfs/dbraw/zinc/22/34/74/420223474.db2.gz XBRPEWRJZCLCOQ-SNVBAGLBSA-N 1 0 303.322 1.439 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000430969208 420228068 /nfs/dbraw/zinc/22/80/68/420228068.db2.gz YVGXIRYZTCTHOJ-RYUDHWBXSA-N 1 0 306.366 1.524 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420370831 420244197 /nfs/dbraw/zinc/24/41/97/420244197.db2.gz CXARTFMMCYLMSP-YPMHNXCESA-N 1 0 320.393 1.758 20 5 DDBDRO O=[N+]([O-])c1cnn(CCN2CC[NH2+]C[C@H]2c2ccccc2)c1 ZINC000420398866 420262258 /nfs/dbraw/zinc/26/22/58/420262258.db2.gz HDKCNGOEVUGDHW-HNNXBMFYSA-N 1 0 301.350 1.438 20 5 DDBDRO CC[C@H]([NH3+])CNS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000420441811 420290517 /nfs/dbraw/zinc/29/05/17/420290517.db2.gz OUXSZLUBCYELHJ-JTQLQIEISA-N 1 0 301.368 1.227 20 5 DDBDRO Cc1ccc(C)c(S(=O)(=O)N[C@@H](C)CCC[NH3+])c1[N+](=O)[O-] ZINC000420434442 420283699 /nfs/dbraw/zinc/28/36/99/420283699.db2.gz FCCRBOSAEUMDBZ-NSHDSACASA-N 1 0 315.395 1.617 20 5 DDBDRO [NH3+][C@H]1CCC[C@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000420470845 420307040 /nfs/dbraw/zinc/30/70/40/420307040.db2.gz QUBUKOUJMPVBEC-IUCAKERBSA-N 1 0 319.408 1.452 20 5 DDBDRO COc1cc(OCC(=O)NCC2([NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000416301603 420319099 /nfs/dbraw/zinc/31/90/99/420319099.db2.gz LRDSCPHFIUVSTD-UHFFFAOYSA-N 1 0 323.349 1.193 20 5 DDBDRO COCC[NH+]1CCC(Nc2c(C(N)=O)cccc2[N+](=O)[O-])CC1 ZINC000420583789 420322225 /nfs/dbraw/zinc/32/22/25/420322225.db2.gz LDIWDLBENNDZLH-UHFFFAOYSA-N 1 0 322.365 1.216 20 5 DDBDRO CC(C)C[NH+]1CCN(c2c(C(N)=O)cccc2[N+](=O)[O-])CC1 ZINC000420583741 420323159 /nfs/dbraw/zinc/32/31/59/420323159.db2.gz LETCEFRMYGNATL-UHFFFAOYSA-N 1 0 306.366 1.472 20 5 DDBDRO CC[N@H+](C)C[C@@H]1CCN(c2c(C(N)=O)cccc2[N+](=O)[O-])C1 ZINC000420592778 420325014 /nfs/dbraw/zinc/32/50/14/420325014.db2.gz BCBVHQSRFMORNG-NSHDSACASA-N 1 0 306.366 1.472 20 5 DDBDRO O=C(N[C@H]1CCn2ccnc2C1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436828235 420372049 /nfs/dbraw/zinc/37/20/49/420372049.db2.gz PZIYCUBRJCUQPC-VIFPVBQESA-N 1 0 302.290 1.242 20 5 DDBDRO COc1cc(C[N@H+](CCO)C2CCOCC2)ccc1[N+](=O)[O-] ZINC000444777795 230133730 /nfs/dbraw/zinc/13/37/30/230133730.db2.gz QZNWBZBPVUYMIJ-UHFFFAOYSA-N 1 0 310.350 1.577 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000450789744 420531425 /nfs/dbraw/zinc/53/14/25/420531425.db2.gz JJKISNOFDWNMBK-BETUJISGSA-N 1 0 307.350 1.879 20 5 DDBDRO C[C@H](NC(=O)NCCc1ccccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000417767822 420472596 /nfs/dbraw/zinc/47/25/96/420472596.db2.gz RCNCYEQDIMABGI-GXTWGEPZSA-N 1 0 320.393 1.825 20 5 DDBDRO O=[N+]([O-])c1cnc2ccc(NCC3CC[NH+](C4CC4)CC3)nn21 ZINC000444867183 420759643 /nfs/dbraw/zinc/75/96/43/420759643.db2.gz DEAMTZNMVOQUQB-UHFFFAOYSA-N 1 0 316.365 1.924 20 5 DDBDRO Cn1cnc(CC[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)n1 ZINC000447588574 420783915 /nfs/dbraw/zinc/78/39/15/420783915.db2.gz VLZYHACXSZECMK-NWDGAFQWSA-N 1 0 319.369 1.236 20 5 DDBDRO Cc1n[nH]c(CC[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)n1 ZINC000447604756 420785175 /nfs/dbraw/zinc/78/51/75/420785175.db2.gz CTRCRBOHDFFANU-NWDGAFQWSA-N 1 0 319.369 1.534 20 5 DDBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CCC2(CC[NH2+]2)CC1 ZINC000493252327 420799605 /nfs/dbraw/zinc/79/96/05/420799605.db2.gz AHOKAQVBYJICPN-UTCJRWHESA-N 1 0 301.346 1.963 20 5 DDBDRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)Nc1cccc([N+](=O)[O-])c1 ZINC000454150245 420806848 /nfs/dbraw/zinc/80/68/48/420806848.db2.gz QJVRXOKNIPOJBV-AWEZNQCLSA-N 1 0 322.365 1.563 20 5 DDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](CO)[C@H]2CCCO2)c(Cl)c1 ZINC000447901236 420813759 /nfs/dbraw/zinc/81/37/59/420813759.db2.gz BJNWSGALHKEEOU-QWHCGFSZSA-N 1 0 300.742 1.878 20 5 DDBDRO CO[C@H]1C[C@H]([NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C12CCC2 ZINC000459741889 420862122 /nfs/dbraw/zinc/86/21/22/420862122.db2.gz CDIJCGSGZKNIGM-KBPBESRZSA-N 1 0 319.361 1.741 20 5 DDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCN1CCOC[C@@H]1C ZINC000449222730 420972347 /nfs/dbraw/zinc/97/23/47/420972347.db2.gz IMDDYRMETCFJIA-KBPBESRZSA-N 1 0 307.394 1.836 20 5 DDBDRO CNc1nc(C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000455667260 421051554 /nfs/dbraw/zinc/05/15/54/421051554.db2.gz QDHNQBOSDJAKMX-NSHDSACASA-N 1 0 321.381 1.445 20 5 DDBDRO C[C@@H]([NH3+])[C@H](C)NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000449591458 421033081 /nfs/dbraw/zinc/03/30/81/421033081.db2.gz QMBNUUVMZSBXGI-ZJUUUORDSA-N 1 0 303.322 1.246 20 5 DDBDRO CNc1nc(C(=O)N[C@H]2CCC[N@@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000456066598 421095217 /nfs/dbraw/zinc/09/52/17/421095217.db2.gz MMXGZNZUYJPBJU-NSHDSACASA-N 1 0 321.381 1.634 20 5 DDBDRO CSCC[C@@H]([NH3+])C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000455816622 421064919 /nfs/dbraw/zinc/06/49/19/421064919.db2.gz XFQLQPSUAFJJJF-LLVKDONJSA-N 1 0 317.798 1.945 20 5 DDBDRO [NH3+]C[C@@H]1CC[C@H](NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000449716769 421067999 /nfs/dbraw/zinc/06/79/99/421067999.db2.gz LYOUCWUVHBVEAY-BDAKNGLRSA-N 1 0 303.322 1.328 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]Cc2ccccn2)c1 ZINC000560269755 421242055 /nfs/dbraw/zinc/24/20/55/421242055.db2.gz WAKQPGLNDMYBQS-CQSZACIVSA-N 1 0 303.318 1.519 20 5 DDBDRO Cc1nn(C)c(C(=O)Nc2ccccc2C[NH+](C)C)c1[N+](=O)[O-] ZINC000560497803 421273734 /nfs/dbraw/zinc/27/37/34/421273734.db2.gz OCHXMDSKYLPHPI-UHFFFAOYSA-N 1 0 317.349 1.951 20 5 DDBDRO C[C@@H](C[NH+](C)C)NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000561765160 421335141 /nfs/dbraw/zinc/33/51/41/421335141.db2.gz IJYCSETYMRWJCL-VIFPVBQESA-N 1 0 309.322 1.046 20 5 DDBDRO CCC[C@@H](C)[C@H](CO)[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000516574134 421554531 /nfs/dbraw/zinc/55/45/31/421554531.db2.gz KYURRRGZMIQAIW-YPMHNXCESA-N 1 0 309.366 1.920 20 5 DDBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000531634632 421641161 /nfs/dbraw/zinc/64/11/61/421641161.db2.gz BSILMQBNOYCVHL-SMDDNHRTSA-N 1 0 306.366 1.792 20 5 DDBDRO CC1(C)C[C@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000570564038 421654114 /nfs/dbraw/zinc/65/41/14/421654114.db2.gz FNNGATHRPHLHSK-TZMCWYRMSA-N 1 0 324.377 1.882 20 5 DDBDRO COCC(C)(C)C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000519594185 421705082 /nfs/dbraw/zinc/70/50/82/421705082.db2.gz DIHQZERIGLLBKK-LBPRGKRZSA-N 1 0 312.366 1.597 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@]1(O)C[NH+]2CCC1CC2 ZINC000571483233 421719841 /nfs/dbraw/zinc/71/98/41/421719841.db2.gz PLOMAHSVRCVPAZ-INIZCTEOSA-N 1 0 319.361 1.090 20 5 DDBDRO C[N@@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 ZINC000521114074 421773692 /nfs/dbraw/zinc/77/36/92/421773692.db2.gz RAXKJPYPMKFHGU-JTQLQIEISA-N 1 0 321.333 1.048 20 5 DDBDRO C[C@@H](CCc1cccn1C)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000572393681 421783180 /nfs/dbraw/zinc/78/31/80/421783180.db2.gz SUHBDWGZLZDCMH-SWLSCSKDSA-N 1 0 321.381 1.102 20 5 DDBDRO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000521884218 421805296 /nfs/dbraw/zinc/80/52/96/421805296.db2.gz GPNFUUKHNFTCNT-OAHLLOKOSA-N 1 0 321.377 1.964 20 5 DDBDRO CC(C)([NH3+])c1noc(CN2CCc3ncc([N+](=O)[O-])cc3C2)n1 ZINC000582003849 422086245 /nfs/dbraw/zinc/08/62/45/422086245.db2.gz GPLNQIXLCVWQGW-UHFFFAOYSA-N 1 0 318.337 1.125 20 5 DDBDRO CNc1nccc(C(=O)NCCCC[N@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000582072550 422104315 /nfs/dbraw/zinc/10/43/15/422104315.db2.gz ZDYOXCMRJLYVKH-UHFFFAOYSA-N 1 0 321.381 1.636 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@H]([NH3+])C[C@@H]1C ZINC000584180619 422277622 /nfs/dbraw/zinc/27/76/22/422277622.db2.gz WKLPAHMINBSXIB-RYUDHWBXSA-N 1 0 306.366 1.653 20 5 DDBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccnc(NC)c1[N+](=O)[O-] ZINC000576595432 422376530 /nfs/dbraw/zinc/37/65/30/422376530.db2.gz LBZFSGVJVDGOMG-LLVKDONJSA-N 1 0 321.381 1.636 20 5 DDBDRO CC[C@H](C)[NH2+][C@H](CNC(=O)c1c[nH]nc1[N+](=O)[O-])c1ccco1 ZINC000578788955 422649404 /nfs/dbraw/zinc/64/94/04/422649404.db2.gz PHGHCSNBFKAFKK-GXSJLCMTSA-N 1 0 321.337 1.770 20 5 DDBDRO CCC1(CC)CN(CCn2ccc([N+](=O)[O-])n2)CC[S@@]1=O ZINC000185293099 263392560 /nfs/dbraw/zinc/39/25/60/263392560.db2.gz UYJBGXLESRWURW-NRFANRHFSA-N 1 0 314.411 1.414 20 5 DDBDRO CO[C@@H](C)[C@H](C)[NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000191715207 263461384 /nfs/dbraw/zinc/46/13/84/263461384.db2.gz DUVLAODOPVRKNJ-MJVIPROJSA-N 1 0 307.350 1.713 20 5 DDBDRO [NH3+]C1(CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)CCCCC1 ZINC000237848210 263588612 /nfs/dbraw/zinc/58/86/12/263588612.db2.gz PJWIAZDANYYQSP-UHFFFAOYSA-N 1 0 319.408 1.596 20 5 DDBDRO COc1cc(C[NH2+]CCc2ncn(C)n2)c([N+](=O)[O-])cc1OC ZINC000344909899 272138871 /nfs/dbraw/zinc/13/88/71/272138871.db2.gz USUFEFMYZYHTNP-UHFFFAOYSA-N 1 0 321.337 1.073 20 5 DDBDRO CC[N@@H+]1C[C@H](C)N(C(=O)Cn2cc([N+](=O)[O-])nc2C)C[C@H]1C ZINC000345913764 272363731 /nfs/dbraw/zinc/36/37/31/272363731.db2.gz WANITMJPBZLHSB-MNOVXSKESA-N 1 0 309.370 1.041 20 5 DDBDRO COC(=O)c1cc(N2CC[C@H]([NH+](C)C)C2)cc(C)c1[N+](=O)[O-] ZINC000130570201 274000051 /nfs/dbraw/zinc/00/00/51/274000051.db2.gz OPPCUFSIHSKASE-NSHDSACASA-N 1 0 307.350 1.830 20 5 DDBDRO COc1cc(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc([N+](=O)[O-])c1C ZINC000423531684 274091336 /nfs/dbraw/zinc/09/13/36/274091336.db2.gz TWHISUNRKXCRSD-CYZMBNFOSA-N 1 0 319.361 1.721 20 5 DDBDRO C[C@H]([NH2+][C@@H](C)[C@@H]1CCOC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000337230278 274518187 /nfs/dbraw/zinc/51/81/87/274518187.db2.gz VTSRBBVFJCKHIZ-SDDRHHMPSA-N 1 0 307.350 1.936 20 5 DDBDRO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000157768612 274949590 /nfs/dbraw/zinc/94/95/90/274949590.db2.gz BUOQSIUVOYHJLS-QPUJVOFHSA-N 1 0 308.294 1.360 20 5 DDBDRO CC(C)[C@@](C)(C[NH3+])NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000262619320 275691758 /nfs/dbraw/zinc/69/17/58/275691758.db2.gz IQIVCUVHNQKJCP-OAHLLOKOSA-N 1 0 309.366 1.853 20 5 DDBDRO C[NH2+]CCCN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000423200314 277022836 /nfs/dbraw/zinc/02/28/36/277022836.db2.gz LTTQQYFLUAEESY-CQSZACIVSA-N 1 0 303.366 1.617 20 5 DDBDRO C[N@@H+]1CCO[C@@H]2CN(c3ccc4cc([N+](=O)[O-])ccc4n3)C[C@H]21 ZINC000301658149 277124624 /nfs/dbraw/zinc/12/46/24/277124624.db2.gz LTIMTAYWLLBBPA-HUUCEWRRSA-N 1 0 314.345 1.662 20 5 DDBDRO C[NH2+]CCN(C)S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000070303996 277270626 /nfs/dbraw/zinc/27/06/26/277270626.db2.gz HHOHOLJUTXFFNS-UHFFFAOYSA-N 1 0 301.368 1.052 20 5 DDBDRO COCC1(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)CCC1 ZINC000459507939 277483663 /nfs/dbraw/zinc/48/36/63/277483663.db2.gz LQYAPCWJCAPBRM-UHFFFAOYSA-N 1 0 320.393 1.929 20 5 DDBDRO C[C@@H]1C[C@H](C[NH3+])CN1S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000261623987 278010903 /nfs/dbraw/zinc/01/09/03/278010903.db2.gz GUSZINLIMOZGSF-RKDXNWHRSA-N 1 0 317.342 1.092 20 5 DDBDRO C[C@@H]1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000261896260 278531154 /nfs/dbraw/zinc/53/11/54/278531154.db2.gz VSMWSSXNCSATSU-VXGBXAGGSA-N 1 0 306.366 1.593 20 5 DDBDRO C[C@H](CNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])[NH+](C)C ZINC000279619460 279328110 /nfs/dbraw/zinc/32/81/10/279328110.db2.gz SRZKBPIYVUUZRR-MRVPVSSYSA-N 1 0 317.748 1.996 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000331844013 280400230 /nfs/dbraw/zinc/40/02/30/280400230.db2.gz UKLAHTKWRDZTRN-UONOGXRCSA-N 1 0 305.334 1.024 20 5 DDBDRO Cc1ccc(C)c(S(=O)(=O)N(C)[C@@H](C)C[NH3+])c1[N+](=O)[O-] ZINC000193281717 280798321 /nfs/dbraw/zinc/79/83/21/280798321.db2.gz QKOWPGOZUKFGCO-JTQLQIEISA-N 1 0 301.368 1.179 20 5 DDBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](CC3(O)CCOCC3)C2)nc1 ZINC000122284229 281153968 /nfs/dbraw/zinc/15/39/68/281153968.db2.gz KDAXKWINGSMUPZ-LBPRGKRZSA-N 1 0 322.365 1.018 20 5 DDBDRO Cc1ccc(NC(=O)C(=O)NCC[NH2+]C(C)(C)C)cc1[N+](=O)[O-] ZINC000127873485 281289411 /nfs/dbraw/zinc/28/94/11/281289411.db2.gz DGAPAABQPUJGAS-UHFFFAOYSA-N 1 0 322.365 1.346 20 5 DDBDRO [NH3+]C[C@H](NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)C1CC1 ZINC000237922667 295263860 /nfs/dbraw/zinc/26/38/60/295263860.db2.gz MKXBFNOEJSNWNJ-LBPRGKRZSA-N 1 0 315.333 1.248 20 5 DDBDRO CC(C)[NH+](CCN(C)C(=O)c1cc([N+](=O)[O-])nn1C)C(C)C ZINC000356724148 298859687 /nfs/dbraw/zinc/85/96/87/298859687.db2.gz BQXUZRINOXMNQD-UHFFFAOYSA-N 1 0 311.386 1.519 20 5 DDBDRO C[C@@H](C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)C1C[NH2+]C1 ZINC000357127317 298971830 /nfs/dbraw/zinc/97/18/30/298971830.db2.gz LYBYBAPMPOAHLI-GFCCVEGCSA-N 1 0 305.378 1.889 20 5 DDBDRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000357933505 299024641 /nfs/dbraw/zinc/02/46/41/299024641.db2.gz JFCQDHXWHVBZKG-LBPRGKRZSA-N 1 0 323.397 1.569 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@H](CO)[C@H](C)C1 ZINC000362077779 300001498 /nfs/dbraw/zinc/00/14/98/300001498.db2.gz ONVIWAJOJUSOJD-CHWSQXEVSA-N 1 0 321.377 1.792 20 5 DDBDRO COCCO[C@H]1COCC[C@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000362507281 300081755 /nfs/dbraw/zinc/08/17/55/300081755.db2.gz DPSHTBXLNPJEAJ-NEPJUHHUSA-N 1 0 316.379 1.566 20 5 DDBDRO CC(C)[N@H+](C)CCNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000362770866 300136604 /nfs/dbraw/zinc/13/66/04/300136604.db2.gz VLXYHNSOQXQHDG-UHFFFAOYSA-N 1 0 315.320 1.872 20 5 DDBDRO O=C(NC1CC[NH+](CCc2ccccc2)CC1)[C@@H]1C[C@@H]1[N+](=O)[O-] ZINC000363305884 300248644 /nfs/dbraw/zinc/24/86/44/300248644.db2.gz UNPPXEBNRRDBIT-CVEARBPZSA-N 1 0 317.389 1.475 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000364037514 300337248 /nfs/dbraw/zinc/33/72/48/300337248.db2.gz AUDMSVYTBQDMMM-STQMWFEESA-N 1 0 321.381 1.233 20 5 DDBDRO COc1ccc(C(=O)N2CC[C@]3(CCC[C@H]3[NH3+])C2)cc1[N+](=O)[O-] ZINC000364256163 300363938 /nfs/dbraw/zinc/36/39/38/300363938.db2.gz KMGKSDUNTDPLNB-GDBMZVCRSA-N 1 0 319.361 1.947 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)c1 ZINC000160555738 301849885 /nfs/dbraw/zinc/84/98/85/301849885.db2.gz TWRVFZJTUDOVHN-CYBMUJFWSA-N 1 0 321.377 1.480 20 5 DDBDRO Nc1ccc(C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)cc1[N+](=O)[O-] ZINC000376204158 302051138 /nfs/dbraw/zinc/05/11/38/302051138.db2.gz XIBAEVVOVRICFD-AWEZNQCLSA-N 1 0 318.377 1.781 20 5 DDBDRO CC(C)[C@@]1(CO)CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000377651843 302204173 /nfs/dbraw/zinc/20/41/73/302204173.db2.gz KGAWZKZZVPQTKD-HOTGVXAUSA-N 1 0 308.378 1.969 20 5 DDBDRO Cc1ccc(S(=O)(=O)N[C@H]2CC[NH2+][C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000447243750 302395951 /nfs/dbraw/zinc/39/59/51/302395951.db2.gz JMRQFEVMJCEYJT-QWRGUYRKSA-N 1 0 313.379 1.322 20 5 DDBDRO CC(C)Oc1nc(N2CC[C@H]3C[NH2+]C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000516191007 302786624 /nfs/dbraw/zinc/78/66/24/302786624.db2.gz AGUAOWITURZWBO-NWDGAFQWSA-N 1 0 306.366 1.823 20 5 DDBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000517568394 302815219 /nfs/dbraw/zinc/81/52/19/302815219.db2.gz CIZLKVYLRLHTNM-MNOVXSKESA-N 1 0 317.349 1.636 20 5 DDBDRO CC[C@@H]1CCCC[C@@H]1C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000518759466 302829775 /nfs/dbraw/zinc/82/97/75/302829775.db2.gz WFHOFCSDKJUIHP-UMVBOHGHSA-N 1 0 310.398 1.958 20 5 DDBDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000518772703 302829890 /nfs/dbraw/zinc/82/98/90/302829890.db2.gz WORQXXZFFRFEKB-SNVBAGLBSA-N 1 0 321.333 1.490 20 5 DDBDRO Cn1ccnc1[C@H](NC[C@@H]1CCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000423233875 303004258 /nfs/dbraw/zinc/00/42/58/303004258.db2.gz KQIWGKWEBSIXPO-DZGCQCFKSA-N 1 0 315.377 1.759 20 5 DDBDRO COc1c(C(=O)NC[C@@H](C)[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000530473851 303198684 /nfs/dbraw/zinc/19/86/84/303198684.db2.gz GRDXFHRYLYPTJO-LLVKDONJSA-N 1 0 307.350 1.818 20 5 DDBDRO [NH3+]C[C@@H]1CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000178905403 303409769 /nfs/dbraw/zinc/40/97/69/303409769.db2.gz GGAVLHYSCDSWNZ-QMMMGPOBSA-N 1 0 319.770 1.218 20 5 DDBDRO O=C(c1c[nH]nc1[N+](=O)[O-])N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000548942876 303599746 /nfs/dbraw/zinc/59/97/46/303599746.db2.gz DXUAYIGXFUOKMY-LLVKDONJSA-N 1 0 307.354 1.408 20 5 DDBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](C)S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000358261615 306936969 /nfs/dbraw/zinc/93/69/69/306936969.db2.gz YPNBANBJPROIGD-WDEREUQCSA-N 1 0 300.380 1.987 20 5 DDBDRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000562797025 303894467 /nfs/dbraw/zinc/89/44/67/303894467.db2.gz PJSINXHAFDTHIH-DGCLKSJQSA-N 1 0 306.366 1.864 20 5 DDBDRO Nc1c(C(=O)N2CC[C@@]3(CCC[C@H]3[NH3+])C2)cc(F)cc1[N+](=O)[O-] ZINC000365087380 307058326 /nfs/dbraw/zinc/05/83/26/307058326.db2.gz CLRZBCLKIYNUAY-DOMZBBRYSA-N 1 0 322.340 1.660 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1CCO[C@@H]1C1CC1 ZINC000365189294 307061171 /nfs/dbraw/zinc/06/11/71/307061171.db2.gz BAXCGHTYRUIMBE-GDBMZVCRSA-N 1 0 319.361 1.999 20 5 DDBDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000365309862 307064189 /nfs/dbraw/zinc/06/41/89/307064189.db2.gz LIBLPDKUBHABEO-SNVBAGLBSA-N 1 0 307.354 1.128 20 5 DDBDRO O=C1OCC[C@H]1CC[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369004146 307114317 /nfs/dbraw/zinc/11/43/17/307114317.db2.gz YNPZAOVNUMJLEU-VXGBXAGGSA-N 1 0 308.338 1.381 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCCOCC1 ZINC000374037192 307199918 /nfs/dbraw/zinc/19/99/18/307199918.db2.gz XSSZWRJMHLHRPK-UHFFFAOYSA-N 1 0 309.322 1.264 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCCC[C@@H](CO)C2)c1 ZINC000374047157 307200584 /nfs/dbraw/zinc/20/05/84/307200584.db2.gz ANYIWNKVDZIZNQ-HIFRSBDPSA-N 1 0 324.377 1.429 20 5 DDBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000376262277 307241819 /nfs/dbraw/zinc/24/18/19/307241819.db2.gz NYAURZKPGWFYEY-RYUDHWBXSA-N 1 0 316.365 1.701 20 5 DDBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000376262275 307241831 /nfs/dbraw/zinc/24/18/31/307241831.db2.gz NYAURZKPGWFYEY-NEPJUHHUSA-N 1 0 316.365 1.701 20 5 DDBDRO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000535835384 307660794 /nfs/dbraw/zinc/66/07/94/307660794.db2.gz WPXMBRHQGWAGMN-ZDUSSCGKSA-N 1 0 323.393 1.726 20 5 DDBDRO C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000562991955 307951762 /nfs/dbraw/zinc/95/17/62/307951762.db2.gz UAQHRRLWUBJNSR-XJFOESAGSA-N 1 0 324.377 1.880 20 5 DDBDRO Cc1ncc(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)o1 ZINC000567696810 308091673 /nfs/dbraw/zinc/09/16/73/308091673.db2.gz IQBVAYDHDMBZGD-GFCCVEGCSA-N 1 0 307.306 1.421 20 5 DDBDRO COC[C@]1(CNC(=O)NCc2cccc([N+](=O)[O-])c2)CCC[NH2+]1 ZINC000569215033 308137084 /nfs/dbraw/zinc/13/70/84/308137084.db2.gz SZPXFMPVFVEMSM-OAHLLOKOSA-N 1 0 322.365 1.163 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@]1(O)C[NH+]2CCC1CC2 ZINC000570267100 308165166 /nfs/dbraw/zinc/16/51/66/308165166.db2.gz CWVHXXMUKLXYBZ-INIZCTEOSA-N 1 0 319.361 1.090 20 5 DDBDRO C[C@@H]1C[C@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000574071323 308260577 /nfs/dbraw/zinc/26/05/77/308260577.db2.gz DUDVUWQXZFRZGB-JHJVBQTASA-N 1 0 310.350 1.492 20 5 DDBDRO C[C@@H]([NH3+])C[C@@H](C)NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000576942766 308351252 /nfs/dbraw/zinc/35/12/52/308351252.db2.gz JIEQYUYTGWGZOA-GHMZBOCLSA-N 1 0 315.395 1.183 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)NCc3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000577342901 308379991 /nfs/dbraw/zinc/37/99/91/308379991.db2.gz NAPHUBUKJRJLDJ-OCCSQVGLSA-N 1 0 304.350 1.440 20 5 DDBDRO CC[NH2+]CCCNS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000577632518 308404025 /nfs/dbraw/zinc/40/40/25/308404025.db2.gz QMZQKNGZGNCZLL-UHFFFAOYSA-N 1 0 315.395 1.490 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000577987435 308428520 /nfs/dbraw/zinc/42/85/20/308428520.db2.gz HNMVGMSTALSLBQ-STQMWFEESA-N 1 0 321.377 1.267 20 5 DDBDRO C[C@H]1CC2(CN1C(=O)c1cccc([N+](=O)[O-])c1N)CC[NH2+]CC2 ZINC000579581491 308541984 /nfs/dbraw/zinc/54/19/84/308541984.db2.gz VOWVZMOPINJFHO-NSHDSACASA-N 1 0 318.377 1.781 20 5 DDBDRO COC(=O)CC1([NH2+]CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000582968420 337223932 /nfs/dbraw/zinc/22/39/32/337223932.db2.gz QPOSIPMKLOFSLU-UHFFFAOYSA-N 1 0 321.333 1.527 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@H]2CCOC3(CCC3)C2)c1 ZINC000563001266 484330141 /nfs/dbraw/zinc/33/01/41/484330141.db2.gz ROGKMXUYKKOWEF-JSGCOSHPSA-N 1 0 324.381 1.091 20 5 DDBDRO O=C(N[C@H]1CCC[NH2+]C1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000179102545 490687619 /nfs/dbraw/zinc/68/76/19/490687619.db2.gz KKRLSARMFXQYPQ-LBPRGKRZSA-N 1 0 315.333 1.262 20 5 DDBDRO C[C@@H](O)[C@@H](CO)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000419816633 533790873 /nfs/dbraw/zinc/79/08/73/533790873.db2.gz QRNLTYFNEBJWKX-QMTHXVAHSA-N 1 0 306.318 1.686 20 5 DDBDRO Cc1c(CC(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000422774089 533836014 /nfs/dbraw/zinc/83/60/14/533836014.db2.gz ZZNQMZOZPBATEB-GXTWGEPZSA-N 1 0 305.378 1.950 20 5 DDBDRO Cc1c(CNC(=O)N2CC[C@H]([NH3+])[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000418081630 533855671 /nfs/dbraw/zinc/85/56/71/533855671.db2.gz ODVRNWLRKRIUNM-MFKMUULPSA-N 1 0 306.366 1.782 20 5 DDBDRO Cc1ccc(C[N@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1C ZINC000452046073 533872335 /nfs/dbraw/zinc/87/23/35/533872335.db2.gz UZMSCMYTDBPDOW-MRXNPFEDSA-N 1 0 318.377 1.901 20 5 DDBDRO COC(=O)c1cc(NC(=O)[C@@H](C[NH3+])C(C)C)cc([N+](=O)[O-])c1 ZINC000433122552 533880602 /nfs/dbraw/zinc/88/06/02/533880602.db2.gz VZCGBQQESSGVOD-LBPRGKRZSA-N 1 0 309.322 1.551 20 5 DDBDRO COc1cc(C[NH2+][C@H]2CC[C@H](CO)CC2)c([N+](=O)[O-])cc1O ZINC000295831553 533908587 /nfs/dbraw/zinc/90/85/87/533908587.db2.gz VKVWMRBCUCTPGB-UMSPYCQHSA-N 1 0 310.350 1.950 20 5 DDBDRO C[C@@H]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)C[C@H]1C[NH3+] ZINC000424026819 534002132 /nfs/dbraw/zinc/00/21/32/534002132.db2.gz XTHIVTDVZYDOIL-RKDXNWHRSA-N 1 0 310.329 1.373 20 5 DDBDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000418537994 534094405 /nfs/dbraw/zinc/09/44/05/534094405.db2.gz ACVKBBFSHCWBJK-IAQYHMDHSA-N 1 0 318.377 1.661 20 5 DDBDRO C[C@H](CNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C[NH+](C)C ZINC000292653091 534121796 /nfs/dbraw/zinc/12/17/96/534121796.db2.gz OCASJACFFDMPKQ-SECBINFHSA-N 1 0 319.358 1.210 20 5 DDBDRO [NH3+]C1CCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000430607299 534569625 /nfs/dbraw/zinc/56/96/25/534569625.db2.gz YQRJIGOYCQNXOC-CQSZACIVSA-N 1 0 304.350 1.123 20 5 DDBDRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000154813059 524682928 /nfs/dbraw/zinc/68/29/28/524682928.db2.gz WJTZSBJHICPBPC-SMDDNHRTSA-N 1 0 321.352 1.972 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCC1=CC[NH2+]CC1 ZINC000189295971 524908741 /nfs/dbraw/zinc/90/87/41/524908741.db2.gz XNNQGCVDVOJTIF-UHFFFAOYSA-N 1 0 311.363 1.101 20 5 DDBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1C[C@H](O)C[C@H]1[C@@H]1CCCOC1 ZINC000451300858 534887245 /nfs/dbraw/zinc/88/72/45/534887245.db2.gz MREMEGJMKQVKRJ-FMKPAKJESA-N 1 0 306.362 1.957 20 5 DDBDRO CC1(C)OCC[C@@H]1[NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000451245529 527804046 /nfs/dbraw/zinc/80/40/46/527804046.db2.gz UCAXHKIRZGWGJN-KGLIPLIRSA-N 1 0 319.361 1.857 20 5 DDBDRO CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000451593667 527824986 /nfs/dbraw/zinc/82/49/86/527824986.db2.gz SZOXCNGBDWNGMU-MNOVXSKESA-N 1 0 310.354 1.540 20 5 DDBDRO CC1(C)COC[C@H]1[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000451822667 529134475 /nfs/dbraw/zinc/13/44/75/529134475.db2.gz HZNBXVPTBJDNTQ-TZMCWYRMSA-N 1 0 310.350 1.349 20 5 DDBDRO CC1(C)COC[C@H]1[NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000451809695 529134789 /nfs/dbraw/zinc/13/47/89/529134789.db2.gz JUIZLHZEFJLJPN-UONOGXRCSA-N 1 0 319.361 1.715 20 5 DDBDRO C[C@H]1CCC[N@@H+]1CCNc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000820716761 599083938 /nfs/dbraw/zinc/08/39/38/599083938.db2.gz LADFTAIGWDTANV-JTQLQIEISA-N 1 0 317.353 1.671 20 5 DDBDRO CC[NH+]1CCC(Nc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000821253908 599214485 /nfs/dbraw/zinc/21/44/85/599214485.db2.gz JCAVHFHPSMQRAK-UHFFFAOYSA-N 1 0 318.341 1.066 20 5 DDBDRO Cc1cc(Cl)c(S(=O)(=O)N2CC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000122735870 696724825 /nfs/dbraw/zinc/72/48/25/696724825.db2.gz XIWZPHGPBXVWEJ-MRVPVSSYSA-N 1 0 319.770 1.278 20 5 DDBDRO O=[N+]([O-])c1cnn(CN2CC[NH+](CC3CCCCC3)CC2)c1 ZINC000064127471 696335719 /nfs/dbraw/zinc/33/57/19/696335719.db2.gz CHUZAVCXZVXHJH-UHFFFAOYSA-N 1 0 307.398 1.947 20 5 DDBDRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2ccsc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000983658481 697287074 /nfs/dbraw/zinc/28/70/74/697287074.db2.gz XDWOMYBTVWYPJG-FDYHWXHSSA-N 1 0 309.391 1.398 20 5 DDBDRO O=C(CC[N@@H+]1CCC2(C1)OCCO2)Nc1ccc([N+](=O)[O-])cc1 ZINC000160708426 697319350 /nfs/dbraw/zinc/31/93/50/697319350.db2.gz CGOMLCSZJLWEPF-UHFFFAOYSA-N 1 0 321.333 1.372 20 5 DDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000195144566 697731957 /nfs/dbraw/zinc/73/19/57/697731957.db2.gz XTBUYXQLFHEPFB-UHFFFAOYSA-N 1 0 304.350 1.534 20 5 DDBDRO COC(=O)CC1CC[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776278781 698091520 /nfs/dbraw/zinc/09/15/20/698091520.db2.gz VSIZGWYBGXYKOC-HNNXBMFYSA-N 1 0 322.361 1.903 20 5 DDBDRO NC(=O)C[C@H]1CCCC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776582170 698120929 /nfs/dbraw/zinc/12/09/29/698120929.db2.gz RVCURFPACBJKPP-ZIAGYGMSSA-N 1 0 307.350 1.358 20 5 DDBDRO COC(=O)[C@@]1(C)CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776586970 698122530 /nfs/dbraw/zinc/12/25/30/698122530.db2.gz RTDPGTMBFZCJDY-HIFRSBDPSA-N 1 0 308.334 1.513 20 5 DDBDRO COC(=O)C[C@H]1CCC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776590917 698123639 /nfs/dbraw/zinc/12/36/39/698123639.db2.gz MFRSJDQBNAWYMN-ZIAGYGMSSA-N 1 0 308.334 1.656 20 5 DDBDRO O=C(CNc1ccccc1[N+](=O)[O-])N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000424024401 699147465 /nfs/dbraw/zinc/14/74/65/699147465.db2.gz HGTGGHIQRJIDCH-HNNXBMFYSA-N 1 0 304.350 1.361 20 5 DDBDRO C[NH+](C)[C@H]1CCC[C@H](Nc2cc(N)c([N+](=O)[O-])c(CO)c2)C1 ZINC000786803934 699169766 /nfs/dbraw/zinc/16/97/66/699169766.db2.gz KIOWRHBBLFZTHR-AAEUAGOBSA-N 1 0 308.382 1.954 20 5 DDBDRO CC(C)C(=O)NCCC[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788686864 699334708 /nfs/dbraw/zinc/33/47/08/699334708.db2.gz PRFZDXNJORSJJQ-NSHDSACASA-N 1 0 308.382 1.990 20 5 DDBDRO Cc1nc2n(n1)C[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)CC2 ZINC000729931727 699495539 /nfs/dbraw/zinc/49/55/39/699495539.db2.gz TZDLLEMAHNAFNK-ZDUSSCGKSA-N 1 0 301.350 1.908 20 5 DDBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=S)NCCC[NH+](C)C ZINC000795097186 699845712 /nfs/dbraw/zinc/84/57/12/699845712.db2.gz TYSDCNFLESZREZ-UHFFFAOYSA-N 1 0 324.450 1.895 20 5 DDBDRO C[NH+]1CCC2(CCN2C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000742184628 699863853 /nfs/dbraw/zinc/86/38/53/699863853.db2.gz ZKMKBWQYWVTUMT-UHFFFAOYSA-N 1 0 303.362 1.834 20 5 DDBDRO COC(=O)C[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CC1 ZINC000754520781 700507854 /nfs/dbraw/zinc/50/78/54/700507854.db2.gz JHWIPVGWVMMYAH-GFCCVEGCSA-N 1 0 321.333 1.125 20 5 DDBDRO C[NH+]1CCC(CNC(=S)NNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000760457510 700808897 /nfs/dbraw/zinc/80/88/97/700808897.db2.gz AECGCQWGKVCJPE-UHFFFAOYSA-N 1 0 323.422 1.728 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@H](CO)C1CC1 ZINC000763064220 700923540 /nfs/dbraw/zinc/92/35/40/700923540.db2.gz DTFUYKOBNATIQN-TVQRCGJNSA-N 1 0 323.349 1.291 20 5 DDBDRO O=[N+]([O-])c1cccc([N+](=O)[O-])c1NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000804396399 701186018 /nfs/dbraw/zinc/18/60/18/701186018.db2.gz HFJVLQHZTHVVKU-QWRGUYRKSA-N 1 0 322.321 1.778 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](CCO)C1CC1 ZINC000771797451 701330985 /nfs/dbraw/zinc/33/09/85/701330985.db2.gz ADGMMDGSCKXBCP-LBPRGKRZSA-N 1 0 323.349 1.293 20 5 DDBDRO COC[C@]1(C(=O)NCc2ccc(C)c([N+](=O)[O-])c2)CC[NH2+]C1 ZINC000867995328 701879627 /nfs/dbraw/zinc/87/96/27/701879627.db2.gz AAJZQYNMUKYXJB-HNNXBMFYSA-N 1 0 307.350 1.146 20 5 DDBDRO COCCN1CCC[C@H]1C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815575283 701898432 /nfs/dbraw/zinc/89/84/32/701898432.db2.gz NXLWMPXXORQCHQ-OCCSQVGLSA-N 1 0 322.409 1.938 20 5 DDBDRO COCCC1(NC(=O)Cc2cccc([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000868041277 701907365 /nfs/dbraw/zinc/90/73/65/701907365.db2.gz QQWBWYWUUAUFGY-UHFFFAOYSA-N 1 0 321.377 1.412 20 5 DDBDRO Cc1nn(C[N@@H+]2CCC[C@@H]2[C@H]2CCC[C@H]2O)c(C)c1[N+](=O)[O-] ZINC000840118322 701978037 /nfs/dbraw/zinc/97/80/37/701978037.db2.gz DBDZOADAHRXHMU-MGPQQGTHSA-N 1 0 308.382 1.991 20 5 DDBDRO CN(C)C(=O)[C@H]1CC[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000840181061 702015372 /nfs/dbraw/zinc/01/53/72/702015372.db2.gz YXKRUDQWYGQPTG-NSHDSACASA-N 1 0 317.349 1.312 20 5 DDBDRO COc1cc(C(=O)NOC2CC[NH+](C)CC2)cc([N+](=O)[O-])c1C ZINC000816533668 702108309 /nfs/dbraw/zinc/10/83/09/702108309.db2.gz GGRVEUQINMBRKO-UHFFFAOYSA-N 1 0 323.349 1.667 20 5 DDBDRO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CCC[C@@H](CO)CC1)OCCO2 ZINC000816666500 702138144 /nfs/dbraw/zinc/13/81/44/702138144.db2.gz OMAUQFOCQZYDLT-GFCCVEGCSA-N 1 0 322.361 1.960 20 5 DDBDRO COCCNC(=O)C1([NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000840824893 702251389 /nfs/dbraw/zinc/25/13/89/702251389.db2.gz RLNCLPCDRAFSBQ-JTQLQIEISA-N 1 0 322.365 1.123 20 5 DDBDRO CN(C)c1ncc(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)n1C ZINC000840894016 702273290 /nfs/dbraw/zinc/27/32/90/702273290.db2.gz MUJLCXCFVYXEHT-AWEZNQCLSA-N 1 0 319.365 1.218 20 5 DDBDRO COC[C@@]1(CN[C@H](C)c2ccc(N)c([N+](=O)[O-])c2)CCC[NH2+]1 ZINC000817973976 702541155 /nfs/dbraw/zinc/54/11/55/702541155.db2.gz HWAJKCWEQSUUAB-ABAIWWIYSA-N 1 0 308.382 1.596 20 5 DDBDRO COCC[C@H](CO)[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866352139 706679193 /nfs/dbraw/zinc/67/91/93/706679193.db2.gz HMXYMAWPOYOEAD-ZWNOBZJWSA-N 1 0 300.330 1.652 20 5 DDBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H](C)C(=O)NCCF ZINC000866355080 706680089 /nfs/dbraw/zinc/68/00/89/706680089.db2.gz SWGFUQRAOHSBGO-ZJUUUORDSA-N 1 0 315.320 1.729 20 5 DDBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCN1CCCC1=O ZINC000866383056 706686038 /nfs/dbraw/zinc/68/60/38/706686038.db2.gz DIQGNSFYTMVIAV-LLVKDONJSA-N 1 0 309.341 1.877 20 5 DDBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC[C@@]1(O)CCOC1 ZINC000866383471 706686351 /nfs/dbraw/zinc/68/63/51/706686351.db2.gz MPCLYSBBGHUWJL-IAQYHMDHSA-N 1 0 312.341 1.796 20 5 DDBDRO C[C@H]([NH2+]CCCCS(C)(=O)=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000818351267 702639252 /nfs/dbraw/zinc/63/92/52/702639252.db2.gz PQONNGGHYDLKPU-JTQLQIEISA-N 1 0 315.395 1.652 20 5 DDBDRO C[NH2+]C[C@@H](C)c1noc(-c2cc(C(=O)OC)cc([N+](=O)[O-])c2)n1 ZINC000842581774 702736088 /nfs/dbraw/zinc/73/60/88/702736088.db2.gz UZYJUJYADQELJS-MRVPVSSYSA-N 1 0 320.305 1.754 20 5 DDBDRO C[NH2+]C[C@@H](C)c1noc(CCn2nc(C)c([N+](=O)[O-])c2C)n1 ZINC000842583396 702736566 /nfs/dbraw/zinc/73/65/66/702736566.db2.gz SZRNWUHLNQBOFG-MRVPVSSYSA-N 1 0 308.342 1.357 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCc1nc([C@H]2CCC[NH2+]C2)no1 ZINC000842667089 702753381 /nfs/dbraw/zinc/75/33/81/702753381.db2.gz GDZNQMGMEYIIFT-JTQLQIEISA-N 1 0 306.326 1.192 20 5 DDBDRO Cc1nn(CCc2nc([C@@H]3CCC[NH2+]C3)no2)c(C)c1[N+](=O)[O-] ZINC000842667217 702753554 /nfs/dbraw/zinc/75/35/54/702753554.db2.gz JABAZQLSYYBZNQ-LLVKDONJSA-N 1 0 320.353 1.501 20 5 DDBDRO C[C@@H](CCC[NH3+])NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000842878352 702786212 /nfs/dbraw/zinc/78/62/12/702786212.db2.gz MJAGODQSQPFBBH-QMMMGPOBSA-N 1 0 321.786 1.654 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@H](O)Cc2ccccc2)cc1 ZINC000843087519 702816144 /nfs/dbraw/zinc/81/61/44/702816144.db2.gz KCISCDLGJXSWJE-SJORKVTESA-N 1 0 316.357 1.821 20 5 DDBDRO Cc1nc([N+](=O)[O-])c(-c2noc(CC[C@H]3CC[NH2+]C3)n2)n1C ZINC000843223040 702845232 /nfs/dbraw/zinc/84/52/32/702845232.db2.gz XJRZVLDIYKSHLZ-VIFPVBQESA-N 1 0 306.326 1.229 20 5 DDBDRO C[NH+](C)CC[C@H](N)c1nc(Cc2ccccc2[N+](=O)[O-])no1 ZINC000844906823 703082931 /nfs/dbraw/zinc/08/29/31/703082931.db2.gz LUQHJLNQVCEFTA-NSHDSACASA-N 1 0 305.338 1.520 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CC[C@@H](Cn3ccnn3)C2)c1 ZINC000852314406 704008350 /nfs/dbraw/zinc/00/83/50/704008350.db2.gz SKLMQWZKHGTNQG-DOMZBBRYSA-N 1 0 317.349 1.242 20 5 DDBDRO CC[C@H](C)NC(=O)CC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818965893 704036681 /nfs/dbraw/zinc/03/66/81/704036681.db2.gz XDTVSWDCVOMRRS-FZMZJTMJSA-N 1 0 309.366 1.523 20 5 DDBDRO NC(=O)C1CCC([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000819016412 704052205 /nfs/dbraw/zinc/05/22/05/704052205.db2.gz KRJLKSWYFLLSRQ-OVGLSYRBSA-N 1 0 307.350 1.262 20 5 DDBDRO C[C@H](C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)CN1CCOCC1 ZINC000819090539 704068978 /nfs/dbraw/zinc/06/89/78/704068978.db2.gz WUWMHXTWXASVLG-CJNGLKHVSA-N 1 0 323.393 1.186 20 5 DDBDRO CC(C)(C)OC(=O)CC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819096910 704069376 /nfs/dbraw/zinc/06/93/76/704069376.db2.gz ADHACHFCNGXIBK-CYBMUJFWSA-N 1 0 310.350 1.950 20 5 DDBDRO CC1(O)CCC([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000819134220 704074245 /nfs/dbraw/zinc/07/42/45/704074245.db2.gz ZHZIUGKPHAXTRF-UGWHAMFMSA-N 1 0 324.377 1.618 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CCCO[C@H]2CCOC2)cc1 ZINC000819149964 704076301 /nfs/dbraw/zinc/07/63/01/704076301.db2.gz MEWBGQMVIYYJDV-GJZGRUSLSA-N 1 0 310.350 1.413 20 5 DDBDRO Cc1n[nH]cc1CCC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819391318 704119629 /nfs/dbraw/zinc/11/96/29/704119629.db2.gz XDXUSDDQJHNSNB-HNNXBMFYSA-N 1 0 304.350 1.882 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)NC2CCC(C)([NH+](C)C)CC2)n1 ZINC000871360047 704274802 /nfs/dbraw/zinc/27/48/02/704274802.db2.gz FXYQTNPIYPGAPJ-UHFFFAOYSA-N 1 0 323.397 1.804 20 5 DDBDRO Cc1nn(C[N@@H+]2CCC3(COC3)C2)c2cc([N+](=O)[O-])ccc12 ZINC000853597409 704281926 /nfs/dbraw/zinc/28/19/26/704281926.db2.gz JBDMQVFGSZOAEM-UHFFFAOYSA-N 1 0 302.334 1.933 20 5 DDBDRO CC[N@H+](C)C[C@H](O)CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000821341804 704393758 /nfs/dbraw/zinc/39/37/58/704393758.db2.gz FMUILUOTTFVXCO-INIZCTEOSA-N 1 0 322.409 1.029 20 5 DDBDRO Cc1c(C(=O)N2CC(C[NH+](C)C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000854723111 704444402 /nfs/dbraw/zinc/44/44/02/704444402.db2.gz RGLJQMJDZZFBMV-UHFFFAOYSA-N 1 0 322.321 1.445 20 5 DDBDRO CCN(C(=O)c1cc([N+](=O)[O-])c(F)cc1N)[C@H]1CC[N@H+](CC)C1 ZINC000855490728 704487492 /nfs/dbraw/zinc/48/74/92/704487492.db2.gz KOJNWZXLZVHLCQ-JTQLQIEISA-N 1 0 324.356 1.872 20 5 DDBDRO O=C(Nc1ccc([N+](=O)[O-])cc1F)N[C@@H]1C[NH2+]CCC1(F)F ZINC000857768798 704623146 /nfs/dbraw/zinc/62/31/46/704623146.db2.gz ZMVRZIILTMXGLO-SNVBAGLBSA-N 1 0 318.255 1.853 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)NC(C)(C)C[NH+]1CCCC1 ZINC000822134824 704883398 /nfs/dbraw/zinc/88/33/98/704883398.db2.gz JGNFAGXBNSPNCD-UHFFFAOYSA-N 1 0 309.370 1.090 20 5 DDBDRO COC[C@@]1(c2nc(-c3ccc(N)c([N+](=O)[O-])c3)no2)CC[NH2+]C1 ZINC000822635431 704993406 /nfs/dbraw/zinc/99/34/06/704993406.db2.gz ZNYOFUKISFDTIX-CQSZACIVSA-N 1 0 319.321 1.105 20 5 DDBDRO O=[N+]([O-])c1ccccc1NCCc1noc(C[C@@H]2CC[NH2+]C2)n1 ZINC000822791849 705041132 /nfs/dbraw/zinc/04/11/32/705041132.db2.gz XHDIXYQEEYEBOZ-NSHDSACASA-N 1 0 317.349 1.784 20 5 DDBDRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000874850724 705203637 /nfs/dbraw/zinc/20/36/37/705203637.db2.gz WFPULLZBCUORJU-CABCVRRESA-N 1 0 303.362 1.832 20 5 DDBDRO Cc1ccc(NCCCNC(=O)N(C)C[C@@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000861589585 705512264 /nfs/dbraw/zinc/51/22/64/705512264.db2.gz ITYFFKLVMIHZPM-GFCCVEGCSA-N 1 0 323.397 1.694 20 5 DDBDRO O=C(c1cc([N+](=O)[O-])ccc1F)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000861718169 705549820 /nfs/dbraw/zinc/54/98/20/705549820.db2.gz WMWSWAOTWQTABW-RYUDHWBXSA-N 1 0 323.324 1.015 20 5 DDBDRO C[C@@H]1CCC[N@H+](CCNC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000825098960 705599309 /nfs/dbraw/zinc/59/93/09/705599309.db2.gz RAHWASLORUWKMO-IUODEOHRSA-N 1 0 321.377 1.476 20 5 DDBDRO O=C(NCCNc1ccc([N+](=O)[O-])cc1)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876564110 705759702 /nfs/dbraw/zinc/75/97/02/705759702.db2.gz PPQXSAGWYWWCRO-ZBFHGGJFSA-N 1 0 318.377 1.655 20 5 DDBDRO C[C@@H]1CC[N@H+](CCNC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000826722480 705857882 /nfs/dbraw/zinc/85/78/82/705857882.db2.gz QVTVHFREGAESHG-RISCZKNCSA-N 1 0 307.350 1.086 20 5 DDBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC000827136916 705937273 /nfs/dbraw/zinc/93/72/73/705937273.db2.gz UISVVSHFWCWQEE-CYBMUJFWSA-N 1 0 309.341 1.877 20 5 DDBDRO COc1ccc(NC(=O)CCN(C)C[C@@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000863569077 705960624 /nfs/dbraw/zinc/96/06/24/705960624.db2.gz POVBIWCNOWCDES-SNVBAGLBSA-N 1 0 310.354 1.211 20 5 DDBDRO CN1CC[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000877020024 705960827 /nfs/dbraw/zinc/96/08/27/705960827.db2.gz WFSKDRYKHFWNPC-ZDUSSCGKSA-N 1 0 305.382 1.252 20 5 DDBDRO C[N@@H+]1CC[C@H]2CN(C(=O)c3cc([N+](=O)[O-])c(F)cc3N)CC[C@H]21 ZINC000827269714 705964877 /nfs/dbraw/zinc/96/48/77/705964877.db2.gz ZCDXABHKJXFDJJ-TVQRCGJNSA-N 1 0 322.340 1.482 20 5 DDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]CCCOC3CCOCC3)C2)c1 ZINC000877055101 705973441 /nfs/dbraw/zinc/97/34/41/705973441.db2.gz OWXONDNFILPRKJ-UHFFFAOYSA-N 1 0 324.381 1.670 20 5 DDBDRO C[C@@H]1[C@H](C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)CC[N@@H+]1C ZINC000827401065 705993056 /nfs/dbraw/zinc/99/30/56/705993056.db2.gz XFOHLUOJBCQQCA-DGCLKSJQSA-N 1 0 303.362 1.820 20 5 DDBDRO COC[C@@]1(C(=O)NCc2ccc(C)c([N+](=O)[O-])c2)CCCC[NH2+]1 ZINC000877240698 706029972 /nfs/dbraw/zinc/02/99/72/706029972.db2.gz GVJGHHGFSDPXCS-MRXNPFEDSA-N 1 0 321.377 1.678 20 5 DDBDRO COc1ccc(C(=O)N[C@]23CCC[C@H]2[NH2+]CC3)cc1[N+](=O)[O-] ZINC000877400571 706096858 /nfs/dbraw/zinc/09/68/58/706096858.db2.gz WVUYMQVRDBRHNG-HIFRSBDPSA-N 1 0 305.334 1.618 20 5 DDBDRO COC[C@H](O)C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872071220 707287856 /nfs/dbraw/zinc/28/78/56/707287856.db2.gz ZXMVTIIRXADMFQ-MWLCHTKSSA-N 1 0 300.380 1.975 20 5 DDBDRO CC[NH+]1CCN([C@@H](C)CNc2ccnc(F)c2[N+](=O)[O-])CC1 ZINC000881808197 707373715 /nfs/dbraw/zinc/37/37/15/707373715.db2.gz PAKHNEQKSRWDPI-NSHDSACASA-N 1 0 311.361 1.567 20 5 DDBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1C[C@H](CO)[C@H](CO)C1 ZINC000877764462 706201602 /nfs/dbraw/zinc/20/16/02/706201602.db2.gz CQVJCKFTLVUKMX-YEKRNXETSA-N 1 0 306.362 1.531 20 5 DDBDRO Cc1ccc(Cn2cnc3c(c2=O)CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000864618973 706215300 /nfs/dbraw/zinc/21/53/00/706215300.db2.gz DJUYWZZWXOGFFF-UHFFFAOYSA-N 1 0 314.345 1.196 20 5 DDBDRO C[C@H]1C[C@H](N[C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000877831480 706227094 /nfs/dbraw/zinc/22/70/94/706227094.db2.gz UXWOMRDUAOLYJZ-KSZJFAHPSA-N 1 0 323.393 1.061 20 5 DDBDRO CO[C@H]1C[C@@H](C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000877918368 706240760 /nfs/dbraw/zinc/24/07/60/706240760.db2.gz QLMSQVANTPHFOF-XBXGTLAGSA-N 1 0 306.366 1.537 20 5 DDBDRO O=[N+]([O-])c1ccc(NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c2nonc21 ZINC000829010146 706272866 /nfs/dbraw/zinc/27/28/66/706272866.db2.gz HSAIYDRKLWKCRO-AOOOYVTPSA-N 1 0 319.321 1.406 20 5 DDBDRO CC[N@H+](CCNC(=O)Cc1cccc(F)c1[N+](=O)[O-])C1CC1 ZINC000865150744 706364286 /nfs/dbraw/zinc/36/42/86/706364286.db2.gz HJQWRSDDBPUEBY-UHFFFAOYSA-N 1 0 309.341 1.877 20 5 DDBDRO COC(C[N@H+](CCCO)Cc1ccc(C)c([N+](=O)[O-])c1)OC ZINC000878396020 706376793 /nfs/dbraw/zinc/37/67/93/706376793.db2.gz IJHMMEVVZICFAM-UHFFFAOYSA-N 1 0 312.366 1.707 20 5 DDBDRO CC(C)(O)C[N@@H+]1CC[C@H](Nc2c(Cl)cncc2[N+](=O)[O-])C1 ZINC000865998463 706589141 /nfs/dbraw/zinc/58/91/41/706589141.db2.gz IWTLCNBOCNXNDI-VIFPVBQESA-N 1 0 314.773 1.322 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](O)c3cccc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC000832913226 706997467 /nfs/dbraw/zinc/99/74/67/706997467.db2.gz YFGLIFYVVRURHO-IPYPFGDCSA-N 1 0 319.361 1.038 20 5 DDBDRO C[C@H]([NH3+])[C@@H]1CN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CCO1 ZINC000834316679 707029256 /nfs/dbraw/zinc/02/92/56/707029256.db2.gz JYRZZLSRKLUXMU-KWQFWETISA-N 1 0 313.741 1.436 20 5 DDBDRO CCO[C@@H](CN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)C[NH+](C)C ZINC000926964184 712923369 /nfs/dbraw/zinc/92/33/69/712923369.db2.gz WKIYALGJDGAGJN-AAEUAGOBSA-N 1 0 310.398 1.794 20 5 DDBDRO C[C@@H]1CCC[C@H](C2C[NH+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)C1 ZINC000871991036 707271289 /nfs/dbraw/zinc/27/12/89/707271289.db2.gz NLVFWBYFIKQCBZ-DVOMOZLQSA-N 1 0 322.409 1.910 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H]2CCCn3nccc32)c1 ZINC000872243127 707345511 /nfs/dbraw/zinc/34/55/11/707345511.db2.gz SRULVIGMQFMBDL-DZGCQCFKSA-N 1 0 302.334 1.949 20 5 DDBDRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2c1ccc([N+](=O)[O-])c2nonc21 ZINC000872780114 707596672 /nfs/dbraw/zinc/59/66/72/707596672.db2.gz JPCLUSJEILYYIA-VHSXEESVSA-N 1 0 303.322 1.804 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H]1CN(C)CCN1C ZINC000873051184 707709556 /nfs/dbraw/zinc/70/95/56/707709556.db2.gz DELOHTIHAZAUEN-CQSZACIVSA-N 1 0 306.410 1.547 20 5 DDBDRO C[NH2+]C[C@H]1CCCCN1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000883448996 708004573 /nfs/dbraw/zinc/00/45/73/708004573.db2.gz WQWPKPMYGKODAI-CQSZACIVSA-N 1 0 320.393 1.916 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000897220810 708258737 /nfs/dbraw/zinc/25/87/37/708258737.db2.gz DKFGEXUUIIZGCJ-HZPDHXFCSA-N 1 0 305.378 1.939 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000897222772 708260629 /nfs/dbraw/zinc/26/06/29/708260629.db2.gz XMKVGCYVANMTET-ZIAGYGMSSA-N 1 0 305.378 1.939 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@@](CO)(C(F)(F)F)C2)c1 ZINC000886799101 708846988 /nfs/dbraw/zinc/84/69/88/708846988.db2.gz MNCIPYHHMWJSHF-SNVBAGLBSA-N 1 0 308.260 1.038 20 5 DDBDRO C[C@@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000912651652 713060783 /nfs/dbraw/zinc/06/07/83/713060783.db2.gz XQYLJZKSJJCBME-GHMZBOCLSA-N 1 0 309.370 1.653 20 5 DDBDRO [NH3+][C@H]1CCCO[C@@H]1C1CCN(Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886839268 708858580 /nfs/dbraw/zinc/85/85/80/708858580.db2.gz AIRMYZHHNDIWHG-LSDHHAIUSA-N 1 0 320.393 1.708 20 5 DDBDRO CCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC000886893260 708885999 /nfs/dbraw/zinc/88/59/99/708885999.db2.gz MORNQIVDNGQHHK-VIFPVBQESA-N 1 0 319.408 1.337 20 5 DDBDRO C[C@@H](CNC(=S)NCC[NH+](C)C)c1ccccc1[N+](=O)[O-] ZINC000899621784 709128716 /nfs/dbraw/zinc/12/87/16/709128716.db2.gz TXUACFCJYFTJKG-NSHDSACASA-N 1 0 310.423 1.724 20 5 DDBDRO CCCc1n[nH]c(C(=O)N2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)c1[N+](=O)[O-] ZINC000887933100 709169627 /nfs/dbraw/zinc/16/96/27/709169627.db2.gz CWFLEBXJEBROQY-ZUZCIYMTSA-N 1 0 321.381 1.294 20 5 DDBDRO COc1cc(C(=O)N2CC[C@H]([NH+]3CCC3)C2)c([N+](=O)[O-])cc1F ZINC000912904974 713119726 /nfs/dbraw/zinc/11/97/26/713119726.db2.gz WUQVBBSYTTXEHD-JTQLQIEISA-N 1 0 323.324 1.663 20 5 DDBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000891446119 710203301 /nfs/dbraw/zinc/20/33/01/710203301.db2.gz LZCRJVVLSYBFHV-UONOGXRCSA-N 1 0 304.350 1.631 20 5 DDBDRO COc1cc([N+](=O)[O-])cnc1NCCCC[NH+]1CCOCC1 ZINC000891856426 710310137 /nfs/dbraw/zinc/31/01/37/710310137.db2.gz VJSKXZUZSORDTE-UHFFFAOYSA-N 1 0 310.354 1.523 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@]2(C)C[NH+]3CCC2CC3)c1 ZINC000892791468 710500223 /nfs/dbraw/zinc/50/02/23/710500223.db2.gz LFQZCGIOTYDSDN-INIZCTEOSA-N 1 0 319.361 1.818 20 5 DDBDRO COc1cc(C(=O)N[C@H]2CC[N@H+](C)[C@H]2C)cc([N+](=O)[O-])c1C ZINC000928438767 713195953 /nfs/dbraw/zinc/19/59/53/713195953.db2.gz GVCNLTZQIVFTAR-JQWIXIFHSA-N 1 0 307.350 1.734 20 5 DDBDRO COc1c(O)ccc(CNCC[N@@H+]2CCC[C@@H]2C)c1[N+](=O)[O-] ZINC000893355039 710614074 /nfs/dbraw/zinc/61/40/74/710614074.db2.gz BPJVAMSVMSDMTM-NSHDSACASA-N 1 0 309.366 1.883 20 5 DDBDRO COc1ccc(CC(=O)N[C@H]2CC[N@H+](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000928451247 713202596 /nfs/dbraw/zinc/20/25/96/713202596.db2.gz VIRSIIPMANSJNQ-PWSUYJOCSA-N 1 0 307.350 1.355 20 5 DDBDRO COc1cc([C@H](C)[NH2+]CC(=O)N2CCOCC2)cc([N+](=O)[O-])c1 ZINC000903132830 711042584 /nfs/dbraw/zinc/04/25/84/711042584.db2.gz YYNANZRTZPBAHA-NSHDSACASA-N 1 0 323.349 1.113 20 5 DDBDRO Cc1ccc([C@H](C)[NH2+]CCCc2nnnn2C)cc1[N+](=O)[O-] ZINC000903344015 711098923 /nfs/dbraw/zinc/09/89/23/711098923.db2.gz MRTXEURHZGSDJI-NSHDSACASA-N 1 0 304.354 1.710 20 5 DDBDRO [NH3+][C@@H]1CN(CCc2ccc([N+](=O)[O-])cc2)C[C@H]1C(F)(F)F ZINC000903518834 711164535 /nfs/dbraw/zinc/16/45/35/711164535.db2.gz YLZNYUXRGKHMGH-VXGBXAGGSA-N 1 0 303.284 1.959 20 5 DDBDRO O=C(NCc1cccc([N+](=O)[O-])c1)C(F)(F)C1CC[NH2+]CC1 ZINC000912262130 711250288 /nfs/dbraw/zinc/25/02/88/711250288.db2.gz PQTMNJUVKYTCEH-UHFFFAOYSA-N 1 0 313.304 1.846 20 5 DDBDRO COc1c(O)ccc(C[N@@H+]2C[C@H](C)C[C@@H](CO)C2)c1[N+](=O)[O-] ZINC000894973820 711346685 /nfs/dbraw/zinc/34/66/85/711346685.db2.gz BECKRDUSKGUBBT-GHMZBOCLSA-N 1 0 310.350 1.759 20 5 DDBDRO CCC[C@H]1CN(c2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])CC[NH2+]1 ZINC000895058778 711391498 /nfs/dbraw/zinc/39/14/98/711391498.db2.gz OHTYMQSVMPFXHF-NSHDSACASA-N 1 0 322.365 1.663 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2c1nc2sccn2c1[N+](=O)[O-] ZINC000895193624 711449787 /nfs/dbraw/zinc/44/97/87/711449787.db2.gz ZGJQNJGQOZENQT-VHSXEESVSA-N 1 0 307.379 1.977 20 5 DDBDRO C[C@@H](Nc1c(Cl)cncc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCN1C ZINC000895248266 711465148 /nfs/dbraw/zinc/46/51/48/711465148.db2.gz ZPOXDGLMTYDWIL-BXKDBHETSA-N 1 0 313.789 1.111 20 5 DDBDRO C[N@@H+]1CCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1(C)C ZINC000895564971 711542723 /nfs/dbraw/zinc/54/27/23/711542723.db2.gz RBMLFLBGHBMZIO-UHFFFAOYSA-N 1 0 321.377 1.892 20 5 DDBDRO CN1CC[C@H]1CNc1nc(NC[C@H]2CC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000895770300 711601341 /nfs/dbraw/zinc/60/13/41/711601341.db2.gz LUBOMHMXXRLYHB-NEPJUHHUSA-N 1 0 320.397 1.222 20 5 DDBDRO COc1c(O)ccc(C[NH2+][C@@H]2CCO[C@H]2C2CC2)c1[N+](=O)[O-] ZINC000896408870 711721668 /nfs/dbraw/zinc/72/16/68/711721668.db2.gz CPKDLQKABCFYDZ-RISCZKNCSA-N 1 0 308.334 1.966 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(NC[C@@H]2CC[N@@H+]2C2CCOCC2)n1 ZINC000896524203 711738244 /nfs/dbraw/zinc/73/82/44/711738244.db2.gz WDBLAOPBOQATSP-ZDUSSCGKSA-N 1 0 306.366 1.963 20 5 DDBDRO COc1ccc(CNC(=S)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000917598070 713506052 /nfs/dbraw/zinc/50/60/52/713506052.db2.gz XKUBKGOIVQABJF-UHFFFAOYSA-N 1 0 312.395 1.129 20 5 DDBDRO C[N@@H+]1CCC[C@H]1Cn1c(=O)onc1-c1cccc([N+](=O)[O-])c1 ZINC000917686710 713509847 /nfs/dbraw/zinc/50/98/47/713509847.db2.gz XYXGWVNKDKWWGC-LBPRGKRZSA-N 1 0 304.306 1.506 20 5 DDBDRO Cc1nn(C)c(C(=O)OCC[C@@H]2CCCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000920659658 713685833 /nfs/dbraw/zinc/68/58/33/713685833.db2.gz CQTFBBCTAGIVPU-NSHDSACASA-N 1 0 310.354 1.668 20 5 DDBDRO COC(=O)[C@](C)(NCC[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000931262265 714051347 /nfs/dbraw/zinc/05/13/47/714051347.db2.gz PSAKJZKNUUFVLI-MRXNPFEDSA-N 1 0 321.377 1.668 20 5 DDBDRO CCOc1cc(CN2CC[N@H+](C)[C@@H](CO)C2)ccc1[N+](=O)[O-] ZINC000931402701 714086124 /nfs/dbraw/zinc/08/61/24/714086124.db2.gz XGKPRDMFWMPCAI-CYBMUJFWSA-N 1 0 309.366 1.102 20 5 DDBDRO CCCc1n[nH]c(C(=O)N2[C@@H]3CC[C@H]2C[N@H+](C)CC3)c1[N+](=O)[O-] ZINC000923287730 714298362 /nfs/dbraw/zinc/29/83/62/714298362.db2.gz FLBSVNJCRMWWQQ-MNOVXSKESA-N 1 0 321.381 1.579 20 5 DDBDRO CC(C)[C@H]1C[NH2+]CCN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000923397496 714341386 /nfs/dbraw/zinc/34/13/86/714341386.db2.gz COFIZBLGWKNYBG-UKRRQHHQSA-N 1 0 323.393 1.264 20 5 DDBDRO O=[N+]([O-])c1ccc(Cl)cc1CN1CCC[C@H]([NH2+]CCO)C1 ZINC000923407697 714345965 /nfs/dbraw/zinc/34/59/65/714345965.db2.gz RJQBHGNDNQBPNK-ZDUSSCGKSA-N 1 0 313.785 1.795 20 5 DDBDRO C[C@]12C[NH2+]C[C@@]1(C)CN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC000923409767 714346285 /nfs/dbraw/zinc/34/62/85/714346285.db2.gz SYKIIGBJUKDSCI-OAGGEKHMSA-N 1 0 305.378 1.560 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000923417246 714349408 /nfs/dbraw/zinc/34/94/08/714349408.db2.gz WBHNKSWLOYIEBP-MCIONIFRSA-N 1 0 321.377 1.161 20 5 DDBDRO C[C@@H]1[C@H](C)[NH2+]C[C@H](C)N1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000923440953 714356577 /nfs/dbraw/zinc/35/65/77/714356577.db2.gz JPQTUTZLNCJWAT-SDDRHHMPSA-N 1 0 306.366 1.604 20 5 DDBDRO O=[N+]([O-])c1ccc(F)cc1CN1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000934260295 714778124 /nfs/dbraw/zinc/77/81/24/714778124.db2.gz WDBIAULKMYMJLT-CVEARBPZSA-N 1 0 323.368 1.765 20 5 DDBDRO CC(C)(C)[NH2+]CCC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000935689384 715117809 /nfs/dbraw/zinc/11/78/09/715117809.db2.gz KTODRGMWMUHPKA-UHFFFAOYSA-N 1 0 323.397 1.733 20 5 DDBDRO O=[N+]([O-])c1cnc(N2CC3(C2)CCCCC3)nc1C1C[NH2+]C1 ZINC001167183853 732811131 /nfs/dbraw/zinc/81/11/31/732811131.db2.gz ORCDAGTVGNUZBB-UHFFFAOYSA-N 1 0 303.366 1.842 20 5 DDBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)c1cocn1 ZINC001021894556 733647262 /nfs/dbraw/zinc/64/72/62/733647262.db2.gz XFDQWSDKUNLSLG-TXEJJXNPSA-N 1 0 316.317 1.633 20 5 DDBDRO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@H]21)C1CCC1 ZINC001025645204 736807599 /nfs/dbraw/zinc/80/75/99/736807599.db2.gz OLFRGWYJKVNMPJ-ZSHCYNCHSA-N 1 0 315.373 1.941 20 5 DDBDRO O=C(CCc1ncc[nH]1)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001126436958 740111983 /nfs/dbraw/zinc/11/19/83/740111983.db2.gz PANCEJZPABPISL-UHFFFAOYSA-N 1 0 317.349 1.157 20 5 DDBDRO Cc1ccc(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)nn1 ZINC001126926900 742685926 /nfs/dbraw/zinc/68/59/26/742685926.db2.gz VJGFINSCWSGGCJ-UHFFFAOYSA-N 1 0 315.333 1.213 20 5 DDBDRO CC(C)c1ccc(C[NH2+]CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC001126936432 742839596 /nfs/dbraw/zinc/83/95/96/742839596.db2.gz HLNQQOZXBZMWHV-HUUCEWRRSA-N 1 0 305.378 1.681 20 5 DDBDRO Cc1ccc(C[NH+]2CCC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1 ZINC001002783484 743425110 /nfs/dbraw/zinc/42/51/10/743425110.db2.gz ULAYJTQZKUZXLE-HZPDHXFCSA-N 1 0 317.389 1.741 20 5 DDBDRO COc1c(O)ccc(CN[C@@H]2CC[C@H]3C[N@H+](C)C[C@@H]32)c1[N+](=O)[O-] ZINC001184387309 744031483 /nfs/dbraw/zinc/03/14/83/744031483.db2.gz IVUBZHDSDNQJDB-RWMBFGLXSA-N 1 0 321.377 1.739 20 5 DDBDRO NC(=[NH2+])c1nccn1-c1cc([N+](=O)[O-])cc(Br)n1 ZINC001168416581 744332306 /nfs/dbraw/zinc/33/23/06/744332306.db2.gz WJOCZSKGDUDIEG-UHFFFAOYSA-N 1 0 311.099 1.222 20 5 DDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CC([NH2+]C2CCOCC2)C1 ZINC001187606971 744584968 /nfs/dbraw/zinc/58/49/68/744584968.db2.gz MJEJSGQVGLXTPQ-UHFFFAOYSA-N 1 0 309.370 1.077 20 5 DDBDRO [NH3+]CCc1nc(-c2ccccc2)nn1-c1ncc([N+](=O)[O-])cn1 ZINC001168706447 747108230 /nfs/dbraw/zinc/10/82/30/747108230.db2.gz DSHOWKBGEKENFX-UHFFFAOYSA-N 1 0 311.305 1.134 20 5 DDBDRO CCOc1cc(-n2cc3c(n2)CC[C@H]([NH3+])C3)ccc1[N+](=O)[O-] ZINC001168817319 762028086 /nfs/dbraw/zinc/02/80/86/762028086.db2.gz JNIMMVBLKZWRNJ-NSHDSACASA-N 1 0 302.334 1.995 20 5 DDBDRO O=C(NCCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1ccncn1 ZINC001168805823 762042472 /nfs/dbraw/zinc/04/24/72/762042472.db2.gz YCSZVLREGSIKBE-UHFFFAOYSA-N 1 0 321.362 1.356 20 5 DDBDRO CCOC(=O)C1(N[C@H]2CC[C@H](C[N+](=O)[O-])C2)CC[NH+](C)CC1 ZINC001168976715 762145925 /nfs/dbraw/zinc/14/59/25/762145925.db2.gz FRCFRBOOUCKHCE-STQMWFEESA-N 1 0 313.398 1.049 20 5 DDBDRO Cc1nc(CC[NH3+])nn1-c1nccc2c1ccc(C)c2[N+](=O)[O-] ZINC001168984754 762152285 /nfs/dbraw/zinc/15/22/85/762152285.db2.gz ASWICUCRWDSJTO-UHFFFAOYSA-N 1 0 312.333 1.842 20 5 DDBDRO COC(=O)c1c(C)c([N+](=O)[O-])ccc1-n1cc(CC[NH3+])cn1 ZINC001168955324 762152963 /nfs/dbraw/zinc/15/29/63/762152963.db2.gz XQZMDQXHYAIEFS-UHFFFAOYSA-N 1 0 304.306 1.377 20 5 DDBDRO CN(CC[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C(=O)OC(C)(C)C ZINC001168957451 762153847 /nfs/dbraw/zinc/15/38/47/762153847.db2.gz HLDPHXJEJIATHQ-VXGBXAGGSA-N 1 0 301.387 1.888 20 5 DDBDRO [NH3+][C@H]1CC[C@H](N(c2ccncn2)[C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168993357 762166538 /nfs/dbraw/zinc/16/65/38/762166538.db2.gz MWMZRQZPINKODZ-ZQDZILKHSA-N 1 0 319.409 1.998 20 5 DDBDRO O=C1CC[C@H]2[C@H](CC[N@H+]2[C@H]2CC[C@@H](C[N+](=O)[O-])C2)N1CC1CC1 ZINC001169019305 762199865 /nfs/dbraw/zinc/19/98/65/762199865.db2.gz HOAZBEKFZLGCFT-UGUYLWEFSA-N 1 0 321.421 1.907 20 5 DDBDRO O=C1OCCCN1C1CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169048438 762205801 /nfs/dbraw/zinc/20/58/01/762205801.db2.gz VEKNHGVWGJSOMS-TZMCWYRMSA-N 1 0 311.382 1.739 20 5 DDBDRO O=[N+]([O-])C[C@H]1CC[C@@H](N(c2ncc(F)cn2)C2CC[NH2+]CC2)C1 ZINC001169048317 762205834 /nfs/dbraw/zinc/20/58/34/762205834.db2.gz UPCOGCBXHADBRZ-SMDDNHRTSA-N 1 0 323.372 1.620 20 5 DDBDRO C[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)[C@H]1C[N@H+](C)CCN1C ZINC000823784949 758361599 /nfs/dbraw/zinc/36/15/99/758361599.db2.gz UIEZYFQHNVDZSL-QMTHXVAHSA-N 1 0 324.356 1.098 20 5 DDBDRO O=C(NCC1CC[NH+](CC2=CCCCC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001001400701 762826225 /nfs/dbraw/zinc/82/62/25/762826225.db2.gz VVJJNWLPRIAPLG-HZPDHXFCSA-N 1 0 321.421 1.980 20 5 DDBDRO O=[N+]([O-])c1cc(Br)nc(NC[C@@H]2COCC[NH2+]2)c1 ZINC001170043631 764346953 /nfs/dbraw/zinc/34/69/53/764346953.db2.gz JKNYTRYOSYVJOH-SSDOTTSWSA-N 1 0 317.143 1.153 20 5 DDBDRO CCOC(=O)c1cc(N[C@H](C)[C@H]2C[NH2+]CCO2)ccc1[N+](=O)[O-] ZINC001170574708 768225306 /nfs/dbraw/zinc/22/53/06/768225306.db2.gz NYVKHNDMPGVFKD-QMTHXVAHSA-N 1 0 323.349 1.560 20 5 DDBDRO COc1ccc(C[C@H](C)[N@@H+]2CC[C@H](F)[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC001170327849 766254039 /nfs/dbraw/zinc/25/40/39/766254039.db2.gz IIKWAZPQSJXIMY-XEGUGMAKSA-N 1 0 312.341 1.939 20 5 DDBDRO CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[NH+](Cc2cccnc2)CC1 ZINC001045436900 766306314 /nfs/dbraw/zinc/30/63/14/766306314.db2.gz XEKUUSUCQLNKFS-ZIAGYGMSSA-N 1 0 318.377 1.218 20 5 DDBDRO COc1c([N+](=O)[O-])cc(Cl)c(C)c1NCCN(C)CC[NH3+] ZINC001170502959 767616298 /nfs/dbraw/zinc/61/62/98/767616298.db2.gz WFQWIOZAVOVOPY-UHFFFAOYSA-N 1 0 316.789 1.868 20 5 DDBDRO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCCF)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001048525574 769493255 /nfs/dbraw/zinc/49/32/55/769493255.db2.gz YCOKXLUWMLTVRD-XVIXHAIJSA-N 1 0 313.373 1.370 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)c(F)cnc2N[C@@H]1C[NH2+]C[C@H]1CO ZINC001170773933 771192981 /nfs/dbraw/zinc/19/29/81/771192981.db2.gz KLRLASHWDSWOME-ISVAXAHUSA-N 1 0 306.297 1.274 20 5 DDBDRO Cc1n[nH]c(C)c1C(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001135420861 771510323 /nfs/dbraw/zinc/51/03/23/771510323.db2.gz DEALJVIRVQLIML-UHFFFAOYSA-N 1 0 323.378 1.516 20 5 DDBDRO Cc1nc(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)c(C)o1 ZINC001135669238 771643139 /nfs/dbraw/zinc/64/31/39/771643139.db2.gz FZGNEBBCKAEJSC-UHFFFAOYSA-N 1 0 318.333 1.719 20 5 DDBDRO [NH3+]C[C@@H]1COc2ccccc2N1c1cnc(F)c([N+](=O)[O-])c1 ZINC001171393596 774376344 /nfs/dbraw/zinc/37/63/44/774376344.db2.gz LKTKKTHRBSQLEB-SNVBAGLBSA-N 1 0 304.281 1.987 20 5 DDBDRO C[NH+](C)CCCC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001093194594 774495707 /nfs/dbraw/zinc/49/57/07/774495707.db2.gz SUYAILSVARECRF-UHFFFAOYSA-N 1 0 320.393 1.585 20 5 DDBDRO Cc1nc(NCCNC(=O)C2(C[NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC001094090125 775422735 /nfs/dbraw/zinc/42/27/35/775422735.db2.gz ZBLRKBWRAAKJRP-UHFFFAOYSA-N 1 0 321.381 1.168 20 5 DDBDRO CC1(C)C(=O)NC[C@@H]1[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172908412 776918221 /nfs/dbraw/zinc/91/82/21/776918221.db2.gz MMVXANSWIMIPJZ-HIFRSBDPSA-N 1 0 317.389 1.956 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C[C@H](C)CO)c1F ZINC001173179176 777034385 /nfs/dbraw/zinc/03/43/85/777034385.db2.gz NUDVNRCREMOBKS-UWVGGRQHSA-N 1 0 300.330 1.892 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N(C)OCC[NH3+])c1F ZINC001173193254 777037368 /nfs/dbraw/zinc/03/73/68/777037368.db2.gz UIMVMHWRTUSTQK-SECBINFHSA-N 1 0 301.318 1.496 20 5 DDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1C[C@@H](S(C)(=O)=O)C1 ZINC001173218949 777050828 /nfs/dbraw/zinc/05/08/28/777050828.db2.gz ULACPDBZSDKYTO-VHRBIJSZSA-N 1 0 312.391 1.691 20 5 DDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC001173221726 777054377 /nfs/dbraw/zinc/05/43/77/777054377.db2.gz LIXCXCXNMVUHFH-BBRMVZONSA-N 1 0 305.378 1.542 20 5 DDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1(C(N)=O)CCOCC1 ZINC001173232780 777063655 /nfs/dbraw/zinc/06/36/55/777063655.db2.gz FZYNHSRSWWVOIS-LLVKDONJSA-N 1 0 307.350 1.150 20 5 DDBDRO CC(C)[N@H+](C)CC(=O)N(C)CCNc1ccc([N+](=O)[O-])cc1 ZINC001101657650 777352908 /nfs/dbraw/zinc/35/29/08/777352908.db2.gz JDOBKOHPLILQKW-UHFFFAOYSA-N 1 0 308.382 1.805 20 5 DDBDRO CCC[N@H+](C)CC(=O)N(C)CCNc1cc(C)c([N+](=O)[O-])cn1 ZINC001101705321 777414818 /nfs/dbraw/zinc/41/48/18/777414818.db2.gz ARNRKHVLHUSZFG-UHFFFAOYSA-N 1 0 323.397 1.510 20 5 DDBDRO CCOC(=O)c1cnc(N)n1-c1ccc(OC)c([N+](=O)[O-])c1 ZINC001176360306 778134551 /nfs/dbraw/zinc/13/45/51/778134551.db2.gz OWECWGSQRHDZNN-UHFFFAOYSA-N 1 0 306.278 1.548 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1CO ZINC001176532607 778172227 /nfs/dbraw/zinc/17/22/27/778172227.db2.gz BFXDMPOYMISLRM-UONOGXRCSA-N 1 0 319.361 1.184 20 5 DDBDRO C[N@@H+]1C[C@@H](NC(=O)CNc2ccccc2[N+](=O)[O-])C(C)(C)C1 ZINC001178709985 779154733 /nfs/dbraw/zinc/15/47/33/779154733.db2.gz UAWOKBKEAMLKOV-CYBMUJFWSA-N 1 0 306.366 1.463 20 5 DDBDRO COc1cc(C[NH2+]C[C@@H]2CCCCN2C)c([N+](=O)[O-])cc1O ZINC001179730252 779470429 /nfs/dbraw/zinc/47/04/29/779470429.db2.gz TXQPIQNZXBBAJY-LBPRGKRZSA-N 1 0 309.366 1.883 20 5 DDBDRO CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001119237104 781374587 /nfs/dbraw/zinc/37/45/87/781374587.db2.gz PKBIQLBQYBKUKN-DZGCQCFKSA-N 1 0 305.334 1.204 20 5 DDBDRO [NH3+]CCN(CC(F)(F)F)C(=O)COc1cccc([N+](=O)[O-])c1 ZINC001119361991 781420738 /nfs/dbraw/zinc/42/07/38/781420738.db2.gz UNTONRLYZJAREM-UHFFFAOYSA-N 1 0 321.255 1.323 20 5 DDBDRO CC(=O)NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCOCC1 ZINC001271016862 843136776 /nfs/dbraw/zinc/13/67/76/843136776.db2.gz KECXYDSLJFXSGR-UHFFFAOYSA-N 1 0 307.350 1.370 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)NCC(C)(C)n2ccnc2)c1[N+](=O)[O-] ZINC001149212727 861488926 /nfs/dbraw/zinc/48/89/26/861488926.db2.gz CBUOIGWKQFLOIK-UHFFFAOYSA-N 1 0 320.353 1.803 20 5 DDBDRO O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1-n1cncc1C1CC[NH2+]CC1 ZINC001155058293 861689397 /nfs/dbraw/zinc/68/93/97/861689397.db2.gz UZROKAFCNYQXDF-UHFFFAOYSA-N 1 0 323.740 1.534 20 5 DDBDRO Cc1cc(C(=O)NCCC[NH2+]Cc2ccccc2[N+](=O)[O-])[nH]n1 ZINC001155191389 861817614 /nfs/dbraw/zinc/81/76/14/861817614.db2.gz JDTLKDUCMIFEBL-UHFFFAOYSA-N 1 0 317.349 1.536 20 5 DDBDRO O=[N+]([O-])c1cccc2ncnc(N[C@H]3COCCC34C[NH2+]C4)c21 ZINC001155470460 862121861 /nfs/dbraw/zinc/12/18/61/862121861.db2.gz AYNLVSFBYLLHTG-LBPRGKRZSA-N 1 0 315.333 1.328 20 5 DDBDRO O=[N+]([O-])c1c[nH]c2ccc(N[C@@H]3COCCC34C[NH2+]C4)nc21 ZINC001155471137 862124994 /nfs/dbraw/zinc/12/49/94/862124994.db2.gz ZMZDFNGIMBDLQL-LLVKDONJSA-N 1 0 303.322 1.262 20 5 DDBDRO COc1cnc(NC[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)c([N+](=O)[O-])c1 ZINC001155596388 862273812 /nfs/dbraw/zinc/27/38/12/862273812.db2.gz IOJNWGMLYPMEES-IAQYHMDHSA-N 1 0 322.365 1.569 20 5 DDBDRO Cc1cc(C)cc(C[NH2+]C/C=C/CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC001274014972 851849963 /nfs/dbraw/zinc/84/99/63/851849963.db2.gz FOCXNZDKFLYEJC-OBMMGQTPSA-N 1 0 317.389 1.731 20 5 DDBDRO O=C(Cc1ccon1)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001156001781 862624005 /nfs/dbraw/zinc/62/40/05/862624005.db2.gz VPYWZLJXGCCRIY-UHFFFAOYSA-N 1 0 318.333 1.421 20 5 DDBDRO O=C(Cc1ccc[nH]1)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001151781791 862965284 /nfs/dbraw/zinc/96/52/84/862965284.db2.gz NFYPAMOJZLEEAW-UHFFFAOYSA-N 1 0 302.334 1.371 20 5 DDBDRO CCn1c(C[N+](=O)[O-])nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001121792184 858598141 /nfs/dbraw/zinc/59/81/41/858598141.db2.gz SLTLXRYETRYDMO-CYBMUJFWSA-N 1 0 322.413 1.387 20 5 DDBDRO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CC[C@H]1C[NH3+] ZINC001122296416 858741179 /nfs/dbraw/zinc/74/11/79/858741179.db2.gz SRIDCQUCLFAJFR-NEPJUHHUSA-N 1 0 320.393 1.718 20 5 DDBDRO [NH3+]C[C@@]12CC[C@@H]1CCN2C(=O)COc1ccccc1[N+](=O)[O-] ZINC001122321737 858751749 /nfs/dbraw/zinc/75/17/49/858751749.db2.gz YIBWKHUJBBQBSS-ABAIWWIYSA-N 1 0 305.334 1.313 20 5 DDBDRO COc1cc(C(=O)N2CC[C@H]3CC[C@]32C[NH3+])ccc1[N+](=O)[O-] ZINC001122412882 858797598 /nfs/dbraw/zinc/79/75/98/858797598.db2.gz YVTJVIHXMHMXGS-ABAIWWIYSA-N 1 0 305.334 1.557 20 5 DDBDRO CC(C)Cn1c(C[N+](=O)[O-])nnc1N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC001122733050 858951527 /nfs/dbraw/zinc/95/15/27/858951527.db2.gz WJLPDSCDCIPOKJ-CHWSQXEVSA-N 1 0 322.413 1.241 20 5 DDBDRO C[C@H](NC(=O)[C@@H]1C[N@@H+]2CCN1C[C@H]2C)c1ccccc1[N+](=O)[O-] ZINC001123975899 859506328 /nfs/dbraw/zinc/50/63/28/859506328.db2.gz GUSQVLAMRAVGBN-XUJVJEKNSA-N 1 0 318.377 1.160 20 5 DDBDRO O=C(COCC1CC1)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001124005194 859520146 /nfs/dbraw/zinc/52/01/46/859520146.db2.gz IIHVNVAFLOPIAG-UHFFFAOYSA-N 1 0 313.379 1.289 20 5 DDBDRO O=C(NCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1cscn1 ZINC001124736499 859797285 /nfs/dbraw/zinc/79/72/85/859797285.db2.gz CCJGEVGCPUUWLX-UHFFFAOYSA-N 1 0 306.347 1.571 20 5 DDBDRO CC(C)(C)OC(=O)N1CC[C@@H](OCC[N+](C)(C)C)CC1=O ZINC001224771442 881526885 /nfs/dbraw/zinc/52/68/85/881526885.db2.gz MOQRQTLVHQETDB-GFCCVEGCSA-N 1 0 301.407 1.635 20 5 DDBDRO Cc1cncc([N+](=O)[O-])c1NC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC001203067137 860699846 /nfs/dbraw/zinc/69/98/46/860699846.db2.gz GTADFWIDBCUPKB-LLVKDONJSA-N 1 0 321.381 1.714 20 5 DDBDRO O=C(NCCC[NH2+]Cc1ccccc1[N+](=O)[O-])C1=COCCO1 ZINC001154362306 861043162 /nfs/dbraw/zinc/04/31/62/861043162.db2.gz RJOINAGTJFOGOZ-UHFFFAOYSA-N 1 0 321.333 1.079 20 5 DDBDRO COc1cc2ncnc(N[C@H]3CC[N@H+](C)C3)c2cc1[N+](=O)[O-] ZINC001156580870 863164201 /nfs/dbraw/zinc/16/42/01/863164201.db2.gz YHIHDCKEYXGXKM-VIFPVBQESA-N 1 0 303.322 1.663 20 5 DDBDRO COC(=O)c1ccnc(N(C)[C@@]2(C)CCC[NH2+]C2)c1[N+](=O)[O-] ZINC001156967546 863483007 /nfs/dbraw/zinc/48/30/07/863483007.db2.gz BHFHOZRNKGTFOI-AWEZNQCLSA-N 1 0 308.338 1.355 20 5 DDBDRO [NH3+]CCc1nnn(-c2ccc3c(ccc(Cl)c3[N+](=O)[O-])n2)n1 ZINC001156984831 863499521 /nfs/dbraw/zinc/49/95/21/863499521.db2.gz OAESREIZQKIKME-UHFFFAOYSA-N 1 0 319.712 1.273 20 5 DDBDRO O=[N+]([O-])c1ccc2nc(NCC[NH+]3CCSCC3)cnc2c1 ZINC001157044467 863537189 /nfs/dbraw/zinc/53/71/89/863537189.db2.gz YAGPWMHMPQWRTN-UHFFFAOYSA-N 1 0 319.390 1.999 20 5 DDBDRO Cc1c[nH]nc1C(=O)NCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001157669876 864033244 /nfs/dbraw/zinc/03/32/44/864033244.db2.gz IFQKZJQJFMHONE-UHFFFAOYSA-N 1 0 323.378 1.598 20 5 DDBDRO Cc1cc(C)cc(C[NH2+]CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC001157760372 864111666 /nfs/dbraw/zinc/11/16/66/864111666.db2.gz DXBJOLSTYPKMRV-HUUCEWRRSA-N 1 0 305.378 1.565 20 5 DDBDRO O=[N+]([O-])c1c(NC(C2CC2)C2CC2)ncnc1N1CC[NH2+]CC1 ZINC001157920565 864264469 /nfs/dbraw/zinc/26/44/69/864264469.db2.gz XASAWEUOBWUTOJ-UHFFFAOYSA-N 1 0 318.381 1.395 20 5 DDBDRO C[C@@H]1CN(c2nc(Cl)nc(Cl)c2[N+](=O)[O-])C[C@@H](C)[NH2+]1 ZINC001158175948 864471082 /nfs/dbraw/zinc/47/10/82/864471082.db2.gz IXVMWWXBQYAQLZ-PHDIDXHHSA-N 1 0 306.153 1.878 20 5 DDBDRO C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC001158366056 864605679 /nfs/dbraw/zinc/60/56/79/864605679.db2.gz VFNZCCVFZMSXAT-SECBINFHSA-N 1 0 310.329 1.530 20 5 DDBDRO Cc1cc(-n2nncc2C[NH3+])nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001158427676 864648141 /nfs/dbraw/zinc/64/81/41/864648141.db2.gz DAXRAXOOSSFEIH-UHFFFAOYSA-N 1 0 311.305 1.400 20 5 DDBDRO CC[N@H+](C)[C@@H]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2C)C1 ZINC001160160795 865704757 /nfs/dbraw/zinc/70/47/57/865704757.db2.gz RPTGJWNSXCGWES-CQSZACIVSA-N 1 0 305.378 1.998 20 5 DDBDRO O=C(NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CC1)c1ccc[nH]1 ZINC001323385773 866578384 /nfs/dbraw/zinc/57/83/84/866578384.db2.gz XAFXTJVRQPSADA-UHFFFAOYSA-N 1 0 314.345 1.975 20 5 DDBDRO O=C([C@@H](O)c1cccc([N+](=O)[O-])c1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001324437764 867280405 /nfs/dbraw/zinc/28/04/05/867280405.db2.gz BXZIUFYWYHXUNM-CABCVRRESA-N 1 0 319.361 1.325 20 5 DDBDRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001324531650 867336400 /nfs/dbraw/zinc/33/64/00/867336400.db2.gz DRLIMARRAKRHLV-HZSPNIEDSA-N 1 0 308.334 1.560 20 5 DDBDRO CCOc1nc(-n2c(C[NH3+])nc3cnccc32)ccc1[N+](=O)[O-] ZINC001162215490 867344815 /nfs/dbraw/zinc/34/48/15/867344815.db2.gz CZZFXPYSHBHEBQ-UHFFFAOYSA-N 1 0 314.305 1.581 20 5 DDBDRO COc1c(O)ccc(CN2CC[N@H+](C)C(C)(C)C2)c1[N+](=O)[O-] ZINC001334318377 867481991 /nfs/dbraw/zinc/48/19/91/867481991.db2.gz HVLLIFDTIGKOGN-UHFFFAOYSA-N 1 0 309.366 1.835 20 5 DDBDRO COc1ncc([N+](=O)[O-])c(-n2c3ccccc3nc2[C@H](C)[NH3+])n1 ZINC001162757827 867802486 /nfs/dbraw/zinc/80/24/86/867802486.db2.gz COQQPYZWPYKEOZ-QMMMGPOBSA-N 1 0 314.305 1.752 20 5 DDBDRO O=[N+]([O-])c1c(Cl)nc(Cl)nc1N[C@@H]1C=C[C@@H]2C[NH2+]C[C@H]12 ZINC001162795401 867827909 /nfs/dbraw/zinc/82/79/09/867827909.db2.gz VSOGBJOUZJALPS-DSYKOEDSSA-N 1 0 316.148 1.878 20 5 DDBDRO CCC[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001162810111 867844259 /nfs/dbraw/zinc/84/42/59/867844259.db2.gz DGJGNUYVXBLSAN-HZPDHXFCSA-N 1 0 319.405 1.723 20 5 DDBDRO [NH3+][C@@H]1Cc2ccccc2N(c2c[n+]([O-])c(Cl)cc2[N+](=O)[O-])C1 ZINC001162841261 867858087 /nfs/dbraw/zinc/85/80/87/867858087.db2.gz GKDFBOBSIDFFTQ-SNVBAGLBSA-N 1 0 320.736 1.903 20 5 DDBDRO CCOc1cc([N+](=O)[O-])ccc1N[C@H](C(=O)OC)C(C)(C)[NH3+] ZINC001162947685 867937262 /nfs/dbraw/zinc/93/72/62/867937262.db2.gz UGGRVUDCUDXKEB-GFCCVEGCSA-N 1 0 311.338 1.684 20 5 DDBDRO COc1cccc(NCc2noc3c2C[NH2+]CC3)c1[N+](=O)[O-] ZINC001163131414 868138411 /nfs/dbraw/zinc/13/84/11/868138411.db2.gz DZJXLDGTELWGRH-UHFFFAOYSA-N 1 0 304.306 1.849 20 5 DDBDRO Nc1nc(N2CCC(C3=CC=C(N)C[NH2+]3)CC2)ccc1[N+](=O)[O-] ZINC001163133611 868142059 /nfs/dbraw/zinc/14/20/59/868142059.db2.gz KAMCGXJBWJMJLR-UHFFFAOYSA-N 1 0 316.365 1.118 20 5 DDBDRO COC(=O)c1cc(NC[C@]23C[NH2+]C[C@H]2COC3)cc([N+](=O)[O-])c1 ZINC001163158914 868171549 /nfs/dbraw/zinc/17/15/49/868171549.db2.gz RWEDMAYIECSDRT-NHYWBVRUSA-N 1 0 321.333 1.029 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@H](O)c2ccncc2)c1 ZINC001335317961 868221848 /nfs/dbraw/zinc/22/18/48/868221848.db2.gz RNSUASNMEPEDKQ-GJZGRUSLSA-N 1 0 303.318 1.346 20 5 DDBDRO CC(C)(C)c1ccc(N[C@]23CC[NH2+][C@H]2CC(=O)N3)c([N+](=O)[O-])c1 ZINC001163252783 868260633 /nfs/dbraw/zinc/26/06/33/868260633.db2.gz WZSNPNAXVJWIAM-BBRMVZONSA-N 1 0 318.377 1.882 20 5 DDBDRO O=C1C[C@H]2[NH2+]CC[C@]2(Nc2ccc([N+](=O)[O-])c3ccccc23)N1 ZINC001163254534 868263348 /nfs/dbraw/zinc/26/33/48/868263348.db2.gz SEPHYTQYMIAQHY-ZBFHGGJFSA-N 1 0 312.329 1.738 20 5 DDBDRO O=C1C[C@@H]2[NH2+]CC[C@]2(Nc2cc3cccnc3c3ncccc23)N1 ZINC001163254553 868266468 /nfs/dbraw/zinc/26/64/68/868266468.db2.gz SLDOTIKCQQLESQ-KSSFIOAISA-N 1 0 319.368 1.773 20 5 DDBDRO O=[N+]([O-])c1c[nH]c2ncnc(N[C@@H]3CCO[C@@]4(CC[NH2+]C4)C3)c12 ZINC001163310742 868338659 /nfs/dbraw/zinc/33/86/59/868338659.db2.gz ORFXEVMWJGJYLN-OTYXRUKQSA-N 1 0 318.337 1.189 20 5 DDBDRO COc1ccc([N+](=O)[O-])nc1N[C@@H]1CCO[C@@]2(CC[NH2+]C2)C1 ZINC001163325719 868355770 /nfs/dbraw/zinc/35/57/70/868355770.db2.gz XPNGUBYDVSFCAQ-YGRLFVJLSA-N 1 0 308.338 1.321 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])cc(N[C@H]2C[NH+]3CCC2CC3)n1 ZINC001163386688 868410534 /nfs/dbraw/zinc/41/05/34/868410534.db2.gz WIMWYKZORMKNEC-LBPRGKRZSA-N 1 0 306.322 1.283 20 5 DDBDRO C[C@H](NC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1cccc([N+](=O)[O-])c1 ZINC001335943969 868638632 /nfs/dbraw/zinc/63/86/32/868638632.db2.gz ZTYNXCQWTXGHIQ-PCGAWMICSA-N 1 0 304.350 1.848 20 5 DDBDRO C[C@H](NC(=O)NC[C@@H]1C[NH2+]C[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC001336102401 868731436 /nfs/dbraw/zinc/73/14/36/868731436.db2.gz YTULRSANUZVCBX-MDZLAQPJSA-N 1 0 306.366 1.811 20 5 DDBDRO CC1=CCN(CC[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001336704354 869102705 /nfs/dbraw/zinc/10/27/05/869102705.db2.gz RBIGVPVQVWIZLV-MRXNPFEDSA-N 1 0 305.378 1.870 20 5 DDBDRO O=C(NCCC1(C[NH2+]Cc2ccccn2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001164490618 869229314 /nfs/dbraw/zinc/22/93/14/869229314.db2.gz OEBSTKOKMRJVIU-ZIAGYGMSSA-N 1 0 318.377 1.123 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N1CCC[C@H]1C[NH+](C)C ZINC001165071959 869362327 /nfs/dbraw/zinc/36/23/27/869362327.db2.gz LEXIWNSLCSMEIQ-JTQLQIEISA-N 1 0 308.338 1.307 20 5 DDBDRO C[N@@H+]1CCC[C@@H](CCNc2cc([N+](=O)[O-])c3nncn3c2)C1 ZINC001165290401 869498481 /nfs/dbraw/zinc/49/84/81/869498481.db2.gz SPTDNBHTWVVREL-NSHDSACASA-N 1 0 304.354 1.781 20 5 DDBDRO COC(=O)[C@H]1C[NH2+]CCN1c1nc2ccccc2cc1[N+](=O)[O-] ZINC001165437603 869600831 /nfs/dbraw/zinc/60/08/31/869600831.db2.gz ACJZVJCFWHDMAK-CYBMUJFWSA-N 1 0 316.317 1.094 20 5 DDBDRO Cc1cc(NC(=O)C(=O)N(C)CCC[NH+](C)C)cc([N+](=O)[O-])c1 ZINC001337929052 869697528 /nfs/dbraw/zinc/69/75/28/869697528.db2.gz GLPBTGFNUPLEBX-UHFFFAOYSA-N 1 0 322.365 1.252 20 5 DDBDRO CS(=O)(=O)N(c1cccc(C[NH3+])c1)c1ccc([N+](=O)[O-])cn1 ZINC001166410355 869988530 /nfs/dbraw/zinc/98/85/30/869988530.db2.gz LDPUKLSAUFGXET-UHFFFAOYSA-N 1 0 322.346 1.546 20 5 DDBDRO C[NH2+][C@H]1CCN(C(=O)NC[C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC001338754170 870150459 /nfs/dbraw/zinc/15/04/59/870150459.db2.gz HTVXRLSHQJYTMX-RYUDHWBXSA-N 1 0 306.366 1.702 20 5 DDBDRO CC(C)Oc1nc(N2CC[C@H]([NH3+])C(F)(F)C2)ccc1[N+](=O)[O-] ZINC001166960704 870424781 /nfs/dbraw/zinc/42/47/81/870424781.db2.gz KVNRZEGSEUPJEA-JTQLQIEISA-N 1 0 316.308 1.950 20 5 DDBDRO CCn1c(CCC[N+](=O)[O-])nnc1N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC001340021300 870845519 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307.350 1.086 20 5 DDBDRO C[NH+](C)C[C@]1(O)CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC001347175597 874043130 /nfs/dbraw/zinc/04/31/30/874043130.db2.gz QTSWSRVJBLOZKY-KQQSKNTNSA-N 1 0 319.361 1.133 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccnc(C(F)(F)F)c1 ZINC001227072550 882811605 /nfs/dbraw/zinc/81/16/05/882811605.db2.gz FWSYGTWRHWBKDS-SECBINFHSA-N 1 0 307.292 1.463 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N(C)CC[N@H+](C)CCO ZINC001217422691 877195465 /nfs/dbraw/zinc/19/54/65/877195465.db2.gz MHCAHZZFORRCLV-UHFFFAOYSA-N 1 0 324.381 1.599 20 5 DDBDRO COc1c(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](C)C[C@H]23)cccc1[N+](=O)[O-] ZINC001353285484 877228735 /nfs/dbraw/zinc/22/87/35/877228735.db2.gz NQVUXIRYFZSNKY-KGYLQXTDSA-N 1 0 319.361 1.673 20 5 DDBDRO Cc1c(CNC(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)cccc1[N+](=O)[O-] ZINC001353389141 877295301 /nfs/dbraw/zinc/29/53/01/877295301.db2.gz JBYZPAZOJYLFEN-YNEHKIRRSA-N 1 0 304.350 1.595 20 5 DDBDRO 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529884215 /nfs/dbraw/zinc/88/42/15/529884215.db2.gz CHVRACCCUPAGKS-UHFFFAOYSA-N 1 0 307.354 1.375 20 5 DDBDRO C[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C[C@@H]1CCC[C@H]1O ZINC000305358540 529984210 /nfs/dbraw/zinc/98/42/10/529984210.db2.gz SOPUEKVHUQRGKX-GXTWGEPZSA-N 1 0 307.350 1.287 20 5 DDBDRO C[NH2+]C[C@@H]1CCCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000417235649 529987443 /nfs/dbraw/zinc/98/74/43/529987443.db2.gz RWPGBQHRWZYCKH-AWEZNQCLSA-N 1 0 320.393 1.778 20 5 DDBDRO C[N@@H+]1CCC[C@@H](CCNC(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000458184805 530054441 /nfs/dbraw/zinc/05/44/41/530054441.db2.gz JUXMVEIUOXWDHD-ZDUSSCGKSA-N 1 0 321.377 1.822 20 5 DDBDRO [NH3+]C[C@@H]1CCCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000457368471 232043465 /nfs/dbraw/zinc/04/34/65/232043465.db2.gz ZGMBWNZSNKNKBW-JTQLQIEISA-N 1 0 302.334 1.887 20 5 DDBDRO C[C@@H]([NH2+]C[C@@H]1CS(=O)(=O)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000358305330 299116347 /nfs/dbraw/zinc/11/63/47/299116347.db2.gz ZMYQQZGYDZVZIN-ZWNOBZJWSA-N 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353375862 /nfs/dbraw/zinc/37/58/62/353375862.db2.gz LCKZXHWNLNPITC-HOCLYGCPSA-N 1 0 316.361 1.642 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+](Cc2ccccn2)C2CC2)c1 ZINC000174665986 198367525 /nfs/dbraw/zinc/36/75/25/198367525.db2.gz KKXOCHSZMFCZEN-HNNXBMFYSA-N 1 0 317.349 1.212 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H](CO)C1 ZINC000174709324 198373511 /nfs/dbraw/zinc/37/35/11/198373511.db2.gz YWOKRBUYPRRXHM-NSHDSACASA-N 1 0 323.349 1.246 20 5 DDBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CC1(CO)COC1)C1CC1 ZINC000090606641 353796448 /nfs/dbraw/zinc/79/64/48/353796448.db2.gz JDQOFUWJKSKRET-AWEZNQCLSA-N 1 0 306.362 1.514 20 5 DDBDRO O=C(CNc1ccccc1[N+](=O)[O-])N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000141334278 354139402 /nfs/dbraw/zinc/13/94/02/354139402.db2.gz QPGTWFYDGVCWEJ-ZDUSSCGKSA-N 1 0 318.377 1.703 20 5 DDBDRO Nc1c(C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)cc(F)cc1[N+](=O)[O-] ZINC000141454064 354140413 /nfs/dbraw/zinc/14/04/13/354140413.db2.gz HBJNVCXFCWWYPV-NSHDSACASA-N 1 0 322.340 1.626 20 5 DDBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H]1CCCN1C ZINC000154562447 354207862 /nfs/dbraw/zinc/20/78/62/354207862.db2.gz ZQUFNEUZKREUNJ-IUODEOHRSA-N 1 0 320.393 1.996 20 5 DDBDRO COc1ccc(C[NH+]2CCC(OCCCO)CC2)cc1[N+](=O)[O-] ZINC000154957129 354210133 /nfs/dbraw/zinc/21/01/33/354210133.db2.gz BRAXBWFNGCENKQ-UHFFFAOYSA-N 1 0 324.377 1.967 20 5 DDBDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000176887697 198633557 /nfs/dbraw/zinc/63/35/57/198633557.db2.gz LXHRLIWKNUWSKV-NSHDSACASA-N 1 0 324.381 1.264 20 5 DDBDRO [NH3+]CC[C@@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000307880240 354472735 /nfs/dbraw/zinc/47/27/35/354472735.db2.gz PYEZQKNCIJDZJO-SECBINFHSA-N 1 0 306.244 1.996 20 5 DDBDRO C[C@@H]([NH2+][C@@H]1CCN(S(C)(=O)=O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000400200782 354659905 /nfs/dbraw/zinc/65/99/05/354659905.db2.gz FJBFLTGDZJYTBW-ZYHUDNBSSA-N 1 0 313.379 1.279 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1Cn1cc([C@H]2CCC[NH2+]C2)nn1 ZINC000404836777 354676335 /nfs/dbraw/zinc/67/63/35/354676335.db2.gz JGLRSZPYAXYANZ-NSHDSACASA-N 1 0 317.349 1.710 20 5 DDBDRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000584833916 354778025 /nfs/dbraw/zinc/77/80/25/354778025.db2.gz VCTBAJDKIKXBNS-QWRGUYRKSA-N 1 0 314.345 1.952 20 5 DDBDRO O=C(/C=C\c1cccc([N+](=O)[O-])c1)N1CCC2(CC[NH2+]2)CC1 ZINC000493775668 234928685 /nfs/dbraw/zinc/92/86/85/234928685.db2.gz IRINWLBPQLHYJI-PLNGDYQASA-N 1 0 301.346 1.963 20 5 DDBDRO C[N@@H+]1CC[C@H]2CCN(c3cc(N)c([N+](=O)[O-])c(CO)c3)[C@@H]2C1 ZINC000585779643 354839784 /nfs/dbraw/zinc/83/97/84/354839784.db2.gz HPHVDOBKSKGTAJ-IINYFYTJSA-N 1 0 306.366 1.200 20 5 DDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000588815731 354938521 /nfs/dbraw/zinc/93/85/21/354938521.db2.gz ZWDPNSIBTXZSIH-STQMWFEESA-N 1 0 323.397 1.155 20 5 DDBDRO Cc1cc(C(=O)N[C@@H](CO)C[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000588867228 354944018 /nfs/dbraw/zinc/94/40/18/354944018.db2.gz MMEZFVUCEXVHIM-CYBMUJFWSA-N 1 0 307.350 1.090 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(CN2CCC[C@@H](OC)C2)c1 ZINC000589495777 354996225 /nfs/dbraw/zinc/99/62/25/354996225.db2.gz LWPMAFMIKQRKIA-CYBMUJFWSA-N 1 0 308.334 1.992 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21 ZINC000590443744 355097828 /nfs/dbraw/zinc/09/78/28/355097828.db2.gz GYHRDEWGBRZYHY-MFKMUULPSA-N 1 0 305.334 1.380 20 5 DDBDRO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CC[C@@H](CCCO)C1)OCCO2 ZINC000590663760 355140118 /nfs/dbraw/zinc/14/01/18/355140118.db2.gz CWIJRBZSRBDYAU-GFCCVEGCSA-N 1 0 322.361 1.960 20 5 DDBDRO CC1(C)CN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000591444527 355312725 /nfs/dbraw/zinc/31/27/25/355312725.db2.gz GKXDJQJWFRMGFN-UHFFFAOYSA-N 1 0 319.408 1.248 20 5 DDBDRO [NH3+][C@H]1CCCO[C@@H]1C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000591446017 355313029 /nfs/dbraw/zinc/31/30/29/355313029.db2.gz LBAGBGAYPYJQMN-DZGCQCFKSA-N 1 0 306.366 1.713 20 5 DDBDRO Cc1cccc([C@@H](C)C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000591742651 355375408 /nfs/dbraw/zinc/37/54/08/355375408.db2.gz NZMNJVXQNOOLIP-BBRMVZONSA-N 1 0 318.377 1.854 20 5 DDBDRO C[C@@H]1CCCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C[NH3+] ZINC000591676242 355359987 /nfs/dbraw/zinc/35/99/87/355359987.db2.gz HHLLSGDLZRTROG-SKDRFNHKSA-N 1 0 321.333 1.523 20 5 DDBDRO COc1cc(C(=O)NC[C@@H](C)[NH3+])c([N+](=O)[O-])cc1OC(F)F ZINC000592332949 355561265 /nfs/dbraw/zinc/56/12/65/355561265.db2.gz AYVQNGXSVVWBPB-ZCFIWIBFSA-N 1 0 319.264 1.282 20 5 DDBDRO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000592209142 355539518 /nfs/dbraw/zinc/53/95/18/355539518.db2.gz VKGULDRGKUIRCK-YRGRVCCFSA-N 1 0 322.361 1.820 20 5 DDBDRO CNc1ccc(C(=O)N[C@@H]2CC23CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000592337323 355561750 /nfs/dbraw/zinc/56/17/50/355561750.db2.gz FEWZPLDADXDLCV-CYBMUJFWSA-N 1 0 304.350 1.508 20 5 DDBDRO CC[C@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC[C@H]1[NH3+] ZINC000592330864 355560420 /nfs/dbraw/zinc/56/04/20/355560420.db2.gz DHMRDERZZVLVCC-GZMMTYOYSA-N 1 0 310.329 1.516 20 5 DDBDRO CNc1ccc(C(=O)N[C@@H]2[C@H](C)CC[NH2+][C@H]2C)cc1[N+](=O)[O-] ZINC000592546558 355623591 /nfs/dbraw/zinc/62/35/91/355623591.db2.gz BCHIMTSJZDLRGV-ISTVAULSSA-N 1 0 306.366 1.753 20 5 DDBDRO NC(=O)[C@H]1C[C@@H]([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000593724342 355977157 /nfs/dbraw/zinc/97/71/57/355977157.db2.gz YILRYVPFIIQUAX-MJBXVCDLSA-N 1 0 303.362 1.769 20 5 DDBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)NCCC1CC[NH2+]CC1 ZINC000593703345 355971475 /nfs/dbraw/zinc/97/14/75/355971475.db2.gz DJKMLJVVKJOPDN-UHFFFAOYSA-N 1 0 320.393 1.826 20 5 DDBDRO COc1ccc(OCCN2C[C@H]3CC[C@@H](C2)[NH2+]3)c([N+](=O)[O-])c1 ZINC000601329090 358500106 /nfs/dbraw/zinc/50/01/06/358500106.db2.gz DUCCDCSYFCKYEF-TXEJJXNPSA-N 1 0 307.350 1.418 20 5 DDBDRO C[C@H](NC(=O)[C@]12C[NH2+]C[C@H]1COC2)c1cccc([N+](=O)[O-])c1 ZINC000593902263 356048640 /nfs/dbraw/zinc/04/86/40/356048640.db2.gz RMGDOOWZCRXJLY-WBIUFABUSA-N 1 0 305.334 1.008 20 5 DDBDRO O=C([C@@H]1CC[C@H](C2CC2)[NH2+]1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000593907784 356053030 /nfs/dbraw/zinc/05/30/30/356053030.db2.gz VWMMVDJLABJJKN-CABCVRRESA-N 1 0 316.361 1.405 20 5 DDBDRO C[NH+](C)CC[C@H](N)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000593907392 356053131 /nfs/dbraw/zinc/05/31/31/356053131.db2.gz RDHBXPPPAXNOAJ-HNNXBMFYSA-N 1 0 320.393 1.365 20 5 DDBDRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000593918605 356060802 /nfs/dbraw/zinc/06/08/02/356060802.db2.gz GRMJVMVEYJOUKS-MDZLAQPJSA-N 1 0 323.349 1.689 20 5 DDBDRO Cc1cc(NC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000594079908 356107474 /nfs/dbraw/zinc/10/74/74/356107474.db2.gz CEFFMHRGQYYGQJ-QWHCGFSZSA-N 1 0 320.349 1.186 20 5 DDBDRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000594103101 356114415 /nfs/dbraw/zinc/11/44/15/356114415.db2.gz VUHHPDKPSKOMFG-JGZJWPJOSA-N 1 0 317.349 1.541 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCCCC[C@H]1CO ZINC000594017222 356089227 /nfs/dbraw/zinc/08/92/27/356089227.db2.gz VQWCGWKJPHVLBY-UONOGXRCSA-N 1 0 324.377 1.571 20 5 DDBDRO CCC[C@H]1CN(c2ccncc2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000346663082 283141921 /nfs/dbraw/zinc/14/19/21/283141921.db2.gz WHJPUWXPYCZPJB-ZDUSSCGKSA-N 1 0 308.382 1.927 20 5 DDBDRO [NH3+]C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(F)(F)F ZINC000594451209 356221885 /nfs/dbraw/zinc/22/18/85/356221885.db2.gz YUNIIPPZVLLCFL-QMMMGPOBSA-N 1 0 311.647 1.868 20 5 DDBDRO CCC(C)(C)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC1 ZINC000594423626 356206165 /nfs/dbraw/zinc/20/61/65/356206165.db2.gz XMRRHLHZBWYDLX-UHFFFAOYSA-N 1 0 322.365 1.642 20 5 DDBDRO COc1cc(CN[C@@H](C[NH3+])C(F)(F)F)c([N+](=O)[O-])cc1OC ZINC000594583239 356256070 /nfs/dbraw/zinc/25/60/70/356256070.db2.gz FAMPJRVXWSNGAI-NSHDSACASA-N 1 0 323.271 1.591 20 5 DDBDRO NC(=O)c1ccnc(N[C@H]2CCC[N@@H+]3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000594596963 356260261 /nfs/dbraw/zinc/26/02/61/356260261.db2.gz BPNWVDFWHOWSND-NWDGAFQWSA-N 1 0 319.365 1.518 20 5 DDBDRO [NH3+]C[C@@H](NC(=O)NCCc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000594525996 356243449 /nfs/dbraw/zinc/24/34/49/356243449.db2.gz ZLKWVKLYBYULGT-SNVBAGLBSA-N 1 0 320.271 1.326 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@H]1CCCNC1=O ZINC000595050770 356376761 /nfs/dbraw/zinc/37/67/61/356376761.db2.gz KKZPUNSTTWVBOV-MNOVXSKESA-N 1 0 307.350 1.780 20 5 DDBDRO [NH3+][C@@H]1CN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC[C@H]1F ZINC000595264299 356425369 /nfs/dbraw/zinc/42/53/69/356425369.db2.gz SXIBGWUDHHREPZ-CHWSQXEVSA-N 1 0 310.329 1.218 20 5 DDBDRO CC(C)[C@@](C)(C[NH3+])NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000236834004 202031778 /nfs/dbraw/zinc/03/17/78/202031778.db2.gz IQZGYXJCQAVOEM-CYBMUJFWSA-N 1 0 310.310 1.606 20 5 DDBDRO O=[N+]([O-])c1cccc(-c2noc(C[NH2+][C@H](CO)C3CCC3)n2)c1 ZINC000595615586 356578089 /nfs/dbraw/zinc/57/80/89/356578089.db2.gz JDGKEDXLKUGPBB-CYBMUJFWSA-N 1 0 318.333 1.895 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H](CO)C1CCC1 ZINC000595618257 356579976 /nfs/dbraw/zinc/57/99/76/356579976.db2.gz WYASGCORQUYWRO-LBPRGKRZSA-N 1 0 307.350 1.592 20 5 DDBDRO CC[C@@H](NC(=O)C[NH2+]C[C@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000236903810 202063267 /nfs/dbraw/zinc/06/32/67/202063267.db2.gz MJRDSJWCGKLZEL-HUUCEWRRSA-N 1 0 321.377 1.931 20 5 DDBDRO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H](C)[C@H]1O ZINC000595740199 356629962 /nfs/dbraw/zinc/62/99/62/356629962.db2.gz DFTCKFNHQOIWSC-ATCWAGBWSA-N 1 0 321.377 1.872 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000595756575 356638862 /nfs/dbraw/zinc/63/88/62/356638862.db2.gz INLVSUZANAVPJS-BLLLJJGKSA-N 1 0 319.361 1.689 20 5 DDBDRO NC(=O)c1cc(N[C@H]2CC[N@H+](CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000596118909 356780021 /nfs/dbraw/zinc/78/00/21/356780021.db2.gz GHBNKOQQOLPNDN-LBPRGKRZSA-N 1 0 304.350 1.590 20 5 DDBDRO C[C@H]1C[NH+](CCCNc2cc[nH]c(=O)c2[N+](=O)[O-])C[C@H](C)O1 ZINC000596071071 356761858 /nfs/dbraw/zinc/76/18/58/356761858.db2.gz XIBSXZWNBDKMDX-QWRGUYRKSA-N 1 0 310.354 1.607 20 5 DDBDRO COCCC[NH+]1CCC(Nc2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596105731 356773717 /nfs/dbraw/zinc/77/37/17/356773717.db2.gz XRCMKOINFIVGSA-UHFFFAOYSA-N 1 0 310.354 1.608 20 5 DDBDRO C[NH+](C)[C@@]1(CNc2ccc([N+](=O)[O-])c(C(N)=O)c2)CCSC1 ZINC000596150534 356792203 /nfs/dbraw/zinc/79/22/03/356792203.db2.gz WPQRLWGMGMUCBC-CQSZACIVSA-N 1 0 324.406 1.543 20 5 DDBDRO Cc1cccc(N2CCC([N@@H+]3CC[C@H](O)C3)CC2)c1[N+](=O)[O-] ZINC000596539728 356911439 /nfs/dbraw/zinc/91/14/39/356911439.db2.gz QCLBNRYSUXSULP-AWEZNQCLSA-N 1 0 305.378 1.939 20 5 DDBDRO CCOc1cc(C[NH+]2CCC(C(=O)NC)CC2)ccc1[N+](=O)[O-] ZINC000276859395 213138486 /nfs/dbraw/zinc/13/84/86/213138486.db2.gz GDHIDLIFEVVWDB-UHFFFAOYSA-N 1 0 321.377 1.952 20 5 DDBDRO C[NH+](C)CC1CN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000597708806 357296061 /nfs/dbraw/zinc/29/60/61/357296061.db2.gz ORQKQMWJLCPQFR-UHFFFAOYSA-N 1 0 303.322 1.105 20 5 DDBDRO CCN(C(=O)COc1cccc([N+](=O)[O-])c1)[C@H]1CC[N@H+](CC)C1 ZINC000598044188 357440699 /nfs/dbraw/zinc/44/06/99/357440699.db2.gz ZPPHRLJVXGRLSA-AWEZNQCLSA-N 1 0 321.377 1.916 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCCN(C)CCC[NH+](C)C ZINC000597989669 357407597 /nfs/dbraw/zinc/40/75/97/357407597.db2.gz HWHAVCHNFDNRBW-UHFFFAOYSA-N 1 0 322.409 1.517 20 5 DDBDRO Cc1ccc(S(=O)(=O)NCCC[NH+](C)C)c(C)c1[N+](=O)[O-] ZINC000598598200 357647319 /nfs/dbraw/zinc/64/73/19/357647319.db2.gz NVYUUYXMRVHSDM-UHFFFAOYSA-N 1 0 315.395 1.442 20 5 DDBDRO [NH3+][C@]12CCC[C@@H]1CN(C(=O)CCc1cccc([N+](=O)[O-])c1)C2 ZINC000598668719 357678496 /nfs/dbraw/zinc/67/84/96/357678496.db2.gz ZBNQADJHPXGHHF-CJNGLKHVSA-N 1 0 303.362 1.867 20 5 DDBDRO C[C@H]([NH3+])C1CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000178841097 198939412 /nfs/dbraw/zinc/93/94/12/198939412.db2.gz NWMGPNGMAYDRPC-LBPRGKRZSA-N 1 0 321.377 1.950 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000598680814 357685231 /nfs/dbraw/zinc/68/52/31/357685231.db2.gz DNGBIDSMYZNJBH-BLLLJJGKSA-N 1 0 318.377 1.655 20 5 DDBDRO [NH3+]CC[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1F)C(F)F ZINC000598914022 357756485 /nfs/dbraw/zinc/75/64/85/357756485.db2.gz VLRRFXFGFWUAAD-SECBINFHSA-N 1 0 306.244 1.838 20 5 DDBDRO CC(C)C[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000179406941 199030188 /nfs/dbraw/zinc/03/01/88/199030188.db2.gz GNYHVSKBKZTFHA-UHFFFAOYSA-N 1 0 301.368 1.119 20 5 DDBDRO Cc1ccc(NC(=O)NC2(C[NH3+])CCOCC2)cc1[N+](=O)[O-] ZINC000599585320 357984456 /nfs/dbraw/zinc/98/44/56/357984456.db2.gz FJMBFYLAATVIAW-UHFFFAOYSA-N 1 0 308.338 1.533 20 5 DDBDRO COc1ccc([C@H]([NH2+]CCn2ccc([N+](=O)[O-])n2)C2CC2)cn1 ZINC000599697937 358030730 /nfs/dbraw/zinc/03/07/30/358030730.db2.gz IYVYZHGQXWBIIU-OAHLLOKOSA-N 1 0 317.349 1.936 20 5 DDBDRO C[NH2+]CCOCCN(C)C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000599919394 358080649 /nfs/dbraw/zinc/08/06/49/358080649.db2.gz VSPVHSGNQIBVFR-UHFFFAOYSA-N 1 0 324.381 1.281 20 5 DDBDRO COC(=O)c1cnc(NCC2=CC[N@H+](C)CC2)c([N+](=O)[O-])c1 ZINC000276696767 213051718 /nfs/dbraw/zinc/05/17/18/213051718.db2.gz HRSBGOOVDWQPFJ-UHFFFAOYSA-N 1 0 306.322 1.450 20 5 DDBDRO CC(C)[C@@H](CO)[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000180612948 199185048 /nfs/dbraw/zinc/18/50/48/199185048.db2.gz RXKWQCROJJZHFT-GFCCVEGCSA-N 1 0 306.322 1.751 20 5 DDBDRO O=C(c1ccc(-c2ccc([N+](=O)[O-])nc2)cc1)N1CC[NH2+]CC1 ZINC000600789974 358315144 /nfs/dbraw/zinc/31/51/44/358315144.db2.gz VKFBYHSOWZBZQQ-UHFFFAOYSA-N 1 0 312.329 1.702 20 5 DDBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCCNC1=O ZINC000348101765 283368789 /nfs/dbraw/zinc/36/87/89/283368789.db2.gz KTXHESPETVJTEA-MFKMUULPSA-N 1 0 320.349 1.180 20 5 DDBDRO CC(C)C[N@@H+]1CCO[C@H](CNc2ncc(F)cc2[N+](=O)[O-])C1 ZINC000601101229 358402704 /nfs/dbraw/zinc/40/27/04/358402704.db2.gz UPIAJOCKLFIRBA-GFCCVEGCSA-N 1 0 312.345 1.898 20 5 DDBDRO O=[N+]([O-])c1cc(F)cnc1NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000601130874 358415027 /nfs/dbraw/zinc/41/50/27/358415027.db2.gz CUWRSHFGIWUTAF-LBPRGKRZSA-N 1 0 310.329 1.794 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC(C[NH+](C)C)C1 ZINC000601423562 358546538 /nfs/dbraw/zinc/54/65/38/358546538.db2.gz BXORDNAFOKONPK-UHFFFAOYSA-N 1 0 313.379 1.085 20 5 DDBDRO CC[C@@H]1[C@@H](C(=O)NCCc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000601382719 358527802 /nfs/dbraw/zinc/52/78/02/358527802.db2.gz GJILKHQIBJOESC-LSDHHAIUSA-N 1 0 305.378 1.984 20 5 DDBDRO Cc1c(C[NH2+]C[C@H](O)C[C@](C)(O)C2CC2)cccc1[N+](=O)[O-] ZINC000601963599 358755065 /nfs/dbraw/zinc/75/50/65/358755065.db2.gz DYWDRYMLMCEFFW-ZBFHGGJFSA-N 1 0 308.378 1.905 20 5 DDBDRO Cc1nn(C)c(C(=O)N[C@H]2C[C@H]([NH+](C)C)C2(C)C)c1[N+](=O)[O-] ZINC000602170335 358861865 /nfs/dbraw/zinc/86/18/65/358861865.db2.gz JDRSKEQVYXDSAM-UWVGGRQHSA-N 1 0 309.370 1.095 20 5 DDBDRO C[C@H](CC(N)=O)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602568789 359048961 /nfs/dbraw/zinc/04/89/61/359048961.db2.gz MRAKQZUESXZUSY-RXMQYKEDSA-N 1 0 322.184 1.772 20 5 DDBDRO C[C@@H](CCO)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602560767 359045774 /nfs/dbraw/zinc/04/57/74/359045774.db2.gz MNEFILHNLQETEG-LBPRGKRZSA-N 1 0 308.382 1.567 20 5 DDBDRO CC[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C(=O)N1CCOCC1 ZINC000602563092 359046849 /nfs/dbraw/zinc/04/68/49/359046849.db2.gz FFXMOZQRVHIRRZ-OAHLLOKOSA-N 1 0 321.377 1.364 20 5 DDBDRO C[C@H](C[NH3+])NC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000602480938 359007162 /nfs/dbraw/zinc/00/71/62/359007162.db2.gz AIKXEJWTPMGYLE-ZCFIWIBFSA-N 1 0 302.128 1.434 20 5 DDBDRO CO[C@@H]1C[NH2+][C@](C)(C(=O)NCc2cccc([N+](=O)[O-])c2C)C1 ZINC000602499642 359015190 /nfs/dbraw/zinc/01/51/90/359015190.db2.gz RMDSHQKKRRENMY-WFASDCNBSA-N 1 0 307.350 1.286 20 5 DDBDRO CC[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[C@H](C)O ZINC000602680455 359122462 /nfs/dbraw/zinc/12/24/62/359122462.db2.gz GBMSGRRKUPVNNL-SMDDNHRTSA-N 1 0 308.382 1.708 20 5 DDBDRO Cn1cc(C[NH+]2CCC3(CCC(O)CC3)CC2)c([N+](=O)[O-])n1 ZINC000602671590 359116976 /nfs/dbraw/zinc/11/69/76/359116976.db2.gz MAFDQKYUVRFDCO-UHFFFAOYSA-N 1 0 308.382 1.845 20 5 DDBDRO COc1cc(C[N@H+](C)CCn2c(C)ncc2[N+](=O)[O-])ccc1O ZINC000602771218 359179543 /nfs/dbraw/zinc/17/95/43/359179543.db2.gz ABCXWAGEPOIRPQ-UHFFFAOYSA-N 1 0 320.349 1.946 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](CO)c1ccccc1C ZINC000602807197 359204596 /nfs/dbraw/zinc/20/45/96/359204596.db2.gz QWDKCTKEJATOKN-AWEZNQCLSA-N 1 0 304.350 1.731 20 5 DDBDRO Cn1cc(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)c([N+](=O)[O-])n1 ZINC000602822352 359217014 /nfs/dbraw/zinc/21/70/14/359217014.db2.gz RUFPZLWNHUPWMO-YNEHKIRRSA-N 1 0 306.366 1.766 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1CN1CCC[C@](O)(C[NH+](C)C)C1 ZINC000602875941 359260314 /nfs/dbraw/zinc/26/03/14/359260314.db2.gz CAJATLXCMKMTSC-INIZCTEOSA-N 1 0 323.393 1.492 20 5 DDBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000280891847 215947414 /nfs/dbraw/zinc/94/74/14/215947414.db2.gz QBIZATYGINPLMA-CJNGLKHVSA-N 1 0 303.362 1.643 20 5 DDBDRO CO[C@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])[C@@](C)(CO)C1 ZINC000602963636 359326871 /nfs/dbraw/zinc/32/68/71/359326871.db2.gz HPSSJNDNLGQSAH-IUODEOHRSA-N 1 0 310.350 1.445 20 5 DDBDRO O=[N+]([O-])c1ccccc1OCCn1cc(C2CC[NH2+]CC2)nn1 ZINC000603199409 359474755 /nfs/dbraw/zinc/47/47/55/359474755.db2.gz APCVJGPKFUDGEP-UHFFFAOYSA-N 1 0 317.349 1.732 20 5 DDBDRO Cn1cc(CN2CC[NH2+]C[C@H]2c2cccc(F)c2)c([N+](=O)[O-])n1 ZINC000603427133 359634344 /nfs/dbraw/zinc/63/43/44/359634344.db2.gz BIRGUBFQEZLJFO-AWEZNQCLSA-N 1 0 319.340 1.614 20 5 DDBDRO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000604264294 359731166 /nfs/dbraw/zinc/73/11/66/359731166.db2.gz CWNNYIHMUXOFPA-LBPRGKRZSA-N 1 0 322.365 1.250 20 5 DDBDRO C[C@](C[NH3+])(NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000237613420 202303553 /nfs/dbraw/zinc/30/35/53/202303553.db2.gz PTNGKAQLVAAWBN-CQSZACIVSA-N 1 0 303.322 1.328 20 5 DDBDRO C[C@@H]1CN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)[C@@H](C)C[NH2+]1 ZINC000237663613 202321114 /nfs/dbraw/zinc/32/11/14/202321114.db2.gz YYASXDMHZOJPSF-MNOVXSKESA-N 1 0 318.377 1.992 20 5 DDBDRO C[C@@H]1CN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC[NH2+]1 ZINC000188386988 200238005 /nfs/dbraw/zinc/23/80/05/200238005.db2.gz JZQXMKNNARIQKJ-LLVKDONJSA-N 1 0 315.333 1.214 20 5 DDBDRO Cc1c(C(=O)N[C@@H]2CCC[NH2+]C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000237829139 202364750 /nfs/dbraw/zinc/36/47/50/202364750.db2.gz TVRHXKIBNJYOBX-SECBINFHSA-N 1 0 308.294 1.293 20 5 DDBDRO Cc1nn(CCC(=O)NCC[C@H]2CCC[NH2+]C2)c(C)c1[N+](=O)[O-] ZINC000237872260 202375629 /nfs/dbraw/zinc/37/56/29/202375629.db2.gz AXBDPIDSOBDUKQ-CYBMUJFWSA-N 1 0 323.397 1.304 20 5 DDBDRO C[C@@H](O)C[N@@H+]1CCN(CCc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000189572941 200424053 /nfs/dbraw/zinc/42/40/53/200424053.db2.gz OQOOYPUHRYIPNQ-ZIAGYGMSSA-N 1 0 307.394 1.524 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000609135492 360263914 /nfs/dbraw/zinc/26/39/14/360263914.db2.gz NELWBKBWNYDDOZ-CYBMUJFWSA-N 1 0 323.397 1.479 20 5 DDBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@@H]2CNc3ccnn3C2)cc1 ZINC000609406654 360304609 /nfs/dbraw/zinc/30/46/09/360304609.db2.gz DVEBYBRNIXCDRO-CYBMUJFWSA-N 1 0 301.350 1.665 20 5 DDBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000609878506 360360114 /nfs/dbraw/zinc/36/01/14/360360114.db2.gz WUXAVDLXFJQYRZ-CYBMUJFWSA-N 1 0 320.393 1.997 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[N@@H+](CCO)CCc2ccccc2)n1 ZINC000610485240 360448865 /nfs/dbraw/zinc/44/88/65/360448865.db2.gz YKNSNWXNBKBKJB-UHFFFAOYSA-N 1 0 304.350 1.328 20 5 DDBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000610712471 360512410 /nfs/dbraw/zinc/51/24/10/360512410.db2.gz BWNUIPZHLWDQTB-ZWNOBZJWSA-N 1 0 321.381 1.125 20 5 DDBDRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2ccsc2[N+](=O)[O-])CC1 ZINC000610808455 360541945 /nfs/dbraw/zinc/54/19/45/360541945.db2.gz SOCHJZGXYXZZBC-LLVKDONJSA-N 1 0 324.406 1.399 20 5 DDBDRO Cn1nnnc1CC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000611327419 360699914 /nfs/dbraw/zinc/69/99/14/360699914.db2.gz BZSARQKHXXPKQJ-CYBMUJFWSA-N 1 0 316.365 1.272 20 5 DDBDRO CO[C@H]1CCN(CCOc2cccc([N+](=O)[O-])c2)[C@@H](C[NH3+])C1 ZINC000359039822 299314139 /nfs/dbraw/zinc/31/41/39/299314139.db2.gz JNXJNAWNSZWZMA-KGLIPLIRSA-N 1 0 309.366 1.412 20 5 DDBDRO Cc1ccc(NCCCNC(=O)[C@@H](C)[C@@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000192065477 200812262 /nfs/dbraw/zinc/81/22/62/200812262.db2.gz GJKGBMKXUHXVDD-NWDGAFQWSA-N 1 0 308.382 1.805 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CCCN(C)S(C)(=O)=O ZINC000612607538 361079246 /nfs/dbraw/zinc/07/92/46/361079246.db2.gz PMUAMWAOBXFWBE-UHFFFAOYSA-N 1 0 315.395 1.274 20 5 DDBDRO [NH3+][C@H]1CCC[C@@H](CNC(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000417766894 283628735 /nfs/dbraw/zinc/62/87/35/283628735.db2.gz PSFYILSRVDDIQH-OCCSQVGLSA-N 1 0 320.393 1.954 20 5 DDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@@H](C[NH+](C)C)C1 ZINC000246353143 202584210 /nfs/dbraw/zinc/58/42/10/202584210.db2.gz JOHJVDOOKAPCHU-OLZOCXBDSA-N 1 0 320.393 1.805 20 5 DDBDRO C[NH+](C)C1CC(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000619872607 364170963 /nfs/dbraw/zinc/17/09/63/364170963.db2.gz BSHSDBBWMRKXDM-UHFFFAOYSA-N 1 0 302.334 1.899 20 5 DDBDRO C[C@]1(CN2CCN(c3ncccc3[N+](=O)[O-])CC2)CC[NH2+]C1 ZINC000415093074 291380812 /nfs/dbraw/zinc/38/08/12/291380812.db2.gz BPETYZLUTZLCAI-HNNXBMFYSA-N 1 0 305.382 1.111 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000261649146 203087026 /nfs/dbraw/zinc/08/70/26/203087026.db2.gz FPDLWFGRLMSYBO-AWEZNQCLSA-N 1 0 318.377 1.023 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000261832860 203129010 /nfs/dbraw/zinc/12/90/10/203129010.db2.gz OXYXRXGNFALUBR-BETUJISGSA-N 1 0 303.362 1.975 20 5 DDBDRO CC[C@H](C)C[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000093075647 193201232 /nfs/dbraw/zinc/20/12/32/193201232.db2.gz ZBMKMOTVSGNIIL-NSHDSACASA-N 1 0 315.395 1.509 20 5 DDBDRO C[NH2+]CCC1CCN(C(=O)CCn2cc([N+](=O)[O-])nc2C)CC1 ZINC000262060033 203187293 /nfs/dbraw/zinc/18/72/93/203187293.db2.gz NTXFVEOJNYEDNH-UHFFFAOYSA-N 1 0 323.397 1.338 20 5 DDBDRO Cc1n[nH]c(C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000262112370 203202593 /nfs/dbraw/zinc/20/25/93/203202593.db2.gz AYXSCLZBZCADJH-NWDGAFQWSA-N 1 0 315.333 1.193 20 5 DDBDRO C[NH2+]CCC1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000262115978 203202730 /nfs/dbraw/zinc/20/27/30/203202730.db2.gz VEKPXZWIAMKAIU-UHFFFAOYSA-N 1 0 306.366 1.639 20 5 DDBDRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000262563749 203332042 /nfs/dbraw/zinc/33/20/42/203332042.db2.gz BDRRWEQDYGBHEO-VXGBXAGGSA-N 1 0 307.350 1.559 20 5 DDBDRO CN(CC(=O)NCC[C@@H]1CC[NH2+]C1)c1ccccc1[N+](=O)[O-] ZINC000262579091 203337937 /nfs/dbraw/zinc/33/79/37/203337937.db2.gz LEEYOCIOQLJNCL-LBPRGKRZSA-N 1 0 306.366 1.147 20 5 DDBDRO O=[N+]([O-])c1ccc(C[NH2+]CCn2cnnc2C2CC2)c(F)c1 ZINC000350310643 284179755 /nfs/dbraw/zinc/17/97/55/284179755.db2.gz BFRLCLGTYTWVRQ-UHFFFAOYSA-N 1 0 305.313 1.993 20 5 DDBDRO CC(C)NC(=O)c1ccc(N2CC[C@H]([NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000263987671 203666555 /nfs/dbraw/zinc/66/65/55/203666555.db2.gz FFSISHHUADUYGU-ZDUSSCGKSA-N 1 0 320.393 1.873 20 5 DDBDRO O=[N+]([O-])c1ccccc1C[NH2+]CCC1CCS(=O)(=O)CC1 ZINC000350767821 284258112 /nfs/dbraw/zinc/25/81/12/284258112.db2.gz OCCKWLXSYTWGLJ-UHFFFAOYSA-N 1 0 312.391 1.899 20 5 DDBDRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000274889850 212012434 /nfs/dbraw/zinc/01/24/34/212012434.db2.gz JEEWLVYOPVNILK-GYSYKLTISA-N 1 0 310.350 1.806 20 5 DDBDRO [NH3+][C@@H]1CC[C@H]2CN(Cc3nc4cc([N+](=O)[O-])ccc4o3)C[C@H]12 ZINC000351494574 284343248 /nfs/dbraw/zinc/34/32/48/284343248.db2.gz OHHWOTVIOMDMFD-ZMLRMANQSA-N 1 0 302.334 1.905 20 5 DDBDRO C[C@H](c1ccc(F)cc1)[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266416825 205331552 /nfs/dbraw/zinc/33/15/52/205331552.db2.gz HORHLHQYLUZQQV-ABAIWWIYSA-N 1 0 322.340 1.984 20 5 DDBDRO CCC([NH3+])(CC)CNC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000160496076 197415573 /nfs/dbraw/zinc/41/55/73/197415573.db2.gz ZEUXXJFACUARPR-UHFFFAOYSA-N 1 0 313.329 1.746 20 5 DDBDRO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000174860225 248384191 /nfs/dbraw/zinc/38/41/91/248384191.db2.gz NUVNTLBBUXAJDB-ZDUSSCGKSA-N 1 0 309.370 1.124 20 5 DDBDRO C[C@H](CC[NH+](C)C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000273962451 211219516 /nfs/dbraw/zinc/21/95/16/211219516.db2.gz ODTHXYIYBOIETI-SNVBAGLBSA-N 1 0 301.368 1.213 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](C)[C@@H](C)CO ZINC000273951413 211207514 /nfs/dbraw/zinc/20/75/14/211207514.db2.gz FLYXOVSGRMDTAS-NWDGAFQWSA-N 1 0 309.366 1.838 20 5 DDBDRO COCCN(CC[NH+](C)C)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000104970143 194059950 /nfs/dbraw/zinc/05/99/50/194059950.db2.gz ZWWXENQXXBJRTO-UHFFFAOYSA-N 1 0 324.381 1.945 20 5 DDBDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)c1cn[nH]c1 ZINC000273928451 211184348 /nfs/dbraw/zinc/18/43/48/211184348.db2.gz CCHSIIIGWXORJL-ZJUUUORDSA-N 1 0 303.322 1.996 20 5 DDBDRO CCOCC[NH+]1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000105830825 194139268 /nfs/dbraw/zinc/13/92/68/194139268.db2.gz UEUIJSQHMGJUJI-UHFFFAOYSA-N 1 0 323.393 1.628 20 5 DDBDRO COC(=O)C1CC[NH+](CCCNc2ccc([N+](=O)[O-])nc2)CC1 ZINC000338994390 250237986 /nfs/dbraw/zinc/23/79/86/250237986.db2.gz DUEPKDXLXKMGMA-UHFFFAOYSA-N 1 0 322.365 1.677 20 5 DDBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)[C@H]1CC12CC[NH2+]CC2 ZINC000567468370 304221387 /nfs/dbraw/zinc/22/13/87/304221387.db2.gz MCLQAPZRDVWIMM-CQSZACIVSA-N 1 0 319.361 1.480 20 5 DDBDRO C[C@@H]1CCC[C@@](CNC(=O)c2cc([N+](=O)[O-])n[nH]2)([NH+](C)C)C1 ZINC000285182689 218324065 /nfs/dbraw/zinc/32/40/65/218324065.db2.gz STZCXAKMFNZYEJ-QMTHXVAHSA-N 1 0 309.370 1.558 20 5 DDBDRO CO[C@H]1C[C@@H]([N@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000285244895 218349451 /nfs/dbraw/zinc/34/94/51/218349451.db2.gz CARKFRSAMJYRSB-UPJWGTAASA-N 1 0 310.350 1.444 20 5 DDBDRO CS[C@H]1CN(c2ccc3ncc([N+](=O)[O-])n3n2)C[C@H]1[NH+](C)C ZINC000340732383 251182023 /nfs/dbraw/zinc/18/20/23/251182023.db2.gz ACMHUUOGKDEPLM-ZJUUUORDSA-N 1 0 322.394 1.119 20 5 DDBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)CCn2cc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000076491653 207352080 /nfs/dbraw/zinc/35/20/80/207352080.db2.gz YIPSKNDDUFMRJG-TZMCWYRMSA-N 1 0 323.397 1.370 20 5 DDBDRO C[C@@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000440411790 532984995 /nfs/dbraw/zinc/98/49/95/532984995.db2.gz ZXEFDXUFEIVOLP-RKDXNWHRSA-N 1 0 319.408 1.404 20 5 DDBDRO COCC[N@H+](C)CCNc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000413118435 224137684 /nfs/dbraw/zinc/13/76/84/224137684.db2.gz UHIYOPGFVZKXGO-UHFFFAOYSA-N 1 0 322.287 1.999 20 5 DDBDRO O=[N+]([O-])c1ccccc1CN(CCN1CC[NH2+]CC1)C1CC1 ZINC000420370882 285160274 /nfs/dbraw/zinc/16/02/74/285160274.db2.gz ZIWOYAZSFPISII-UHFFFAOYSA-N 1 0 304.394 1.464 20 5 DDBDRO O=[N+]([O-])c1cccnc1N1CC[NH+](CCC2(O)CCC2)CC1 ZINC000411873743 285165623 /nfs/dbraw/zinc/16/56/23/285165623.db2.gz NEGJHRNBPVNLSX-UHFFFAOYSA-N 1 0 306.366 1.417 20 5 DDBDRO C[C@@H](NC(=O)N1CCCO[C@H](C[NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC000417146743 533120522 /nfs/dbraw/zinc/12/05/22/533120522.db2.gz YSOPQGHZVBKOAE-BXUZGUMPSA-N 1 0 322.365 1.415 20 5 DDBDRO Cc1c(C(=O)N2CCC([NH3+])CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000157643666 197204543 /nfs/dbraw/zinc/20/45/43/197204543.db2.gz PJRZYCZQLWOFBN-UHFFFAOYSA-N 1 0 308.294 1.375 20 5 DDBDRO CC(C)(C)OC(=O)[C@@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000156764676 197138501 /nfs/dbraw/zinc/13/85/01/197138501.db2.gz DMQOJWQXFFRMFD-GFCCVEGCSA-N 1 0 324.381 1.845 20 5 DDBDRO CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000289479416 221004539 /nfs/dbraw/zinc/00/45/39/221004539.db2.gz BRTYTJQVNWPLHX-UKRRQHHQSA-N 1 0 305.378 1.888 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H](C(C)C)[C@@H](C)[NH3+] ZINC000423063247 533222843 /nfs/dbraw/zinc/22/28/43/533222843.db2.gz OJKWTPKLMQMNTQ-QMTHXVAHSA-N 1 0 309.366 1.839 20 5 DDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000290158120 221455287 /nfs/dbraw/zinc/45/52/87/221455287.db2.gz NROIBXYSVOBWFS-OAHLLOKOSA-N 1 0 317.389 1.985 20 5 DDBDRO Cc1ccc(NC(=O)NCCCN2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000414655188 224368203 /nfs/dbraw/zinc/36/82/03/224368203.db2.gz GSVMEEVSFLECPA-UHFFFAOYSA-N 1 0 321.381 1.320 20 5 DDBDRO Cc1ccc(C[NH2+][C@H]2CCCN(CCCO)C2)cc1[N+](=O)[O-] ZINC000295035219 224392734 /nfs/dbraw/zinc/39/27/34/224392734.db2.gz DMOOQPKSAURVRD-HNNXBMFYSA-N 1 0 307.394 1.840 20 5 DDBDRO CC(C)(CNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)[NH+]1CCCCC1 ZINC000121662983 195326510 /nfs/dbraw/zinc/32/65/10/195326510.db2.gz NGCRSGDMOZBSRV-UHFFFAOYSA-N 1 0 322.365 1.690 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@](C)(CO)C(C)C ZINC000352893058 285367177 /nfs/dbraw/zinc/36/71/77/285367177.db2.gz NNZINIIEZMEYJC-OAHLLOKOSA-N 1 0 309.366 1.838 20 5 DDBDRO C[NH+]1CCC(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000124265427 195621847 /nfs/dbraw/zinc/62/18/47/195621847.db2.gz GHYIQOCYWLQZBR-UHFFFAOYSA-N 1 0 316.361 1.829 20 5 DDBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC1(N(C)C)CC1 ZINC000417350821 533448776 /nfs/dbraw/zinc/44/87/76/533448776.db2.gz AIFALQDRAQKMQT-LBPRGKRZSA-N 1 0 320.393 1.996 20 5 DDBDRO COc1cc(C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)cc([N+](=O)[O-])c1OC ZINC000449729431 533554014 /nfs/dbraw/zinc/55/40/14/533554014.db2.gz ZOMLVHLBEORUKX-KOLCDFICSA-N 1 0 323.349 1.469 20 5 DDBDRO Cc1n[nH]c(C(=O)N[C@@H](CC(C)C)C[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000295302989 533667203 /nfs/dbraw/zinc/66/72/03/533667203.db2.gz BDMBKCLUTCWNSD-LBPRGKRZSA-N 1 0 323.397 1.867 20 5 DDBDRO CC[C@H]1[NH2+]CC[C@H]1C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000353152362 285556710 /nfs/dbraw/zinc/55/67/10/285556710.db2.gz PPGZBKGVKMIZEU-ZIAGYGMSSA-N 1 0 306.366 1.511 20 5 DDBDRO COC(=O)COc1ccc(C[NH2+][C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000353224815 285609677 /nfs/dbraw/zinc/60/96/77/285609677.db2.gz MGFVFPNMZBHQRI-LLVKDONJSA-N 1 0 310.306 1.025 20 5 DDBDRO Cc1nc(N2CCC[C@H]([NH+]3CCOCC3)CC2)ncc1[N+](=O)[O-] ZINC000568651021 304304719 /nfs/dbraw/zinc/30/47/19/304304719.db2.gz GCRWCJYWJLMFKH-ZDUSSCGKSA-N 1 0 321.381 1.384 20 5 DDBDRO COC(=O)COc1ccc(C[NH2+][C@@H](C)CCO)cc1[N+](=O)[O-] ZINC000353242522 285619047 /nfs/dbraw/zinc/61/90/47/285619047.db2.gz ZDGFRAWAGDPASS-JTQLQIEISA-N 1 0 312.322 1.007 20 5 DDBDRO Cc1ccc(S(=O)(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)c([N+](=O)[O-])c1 ZINC000353488365 285763733 /nfs/dbraw/zinc/76/37/33/285763733.db2.gz MUDZYEGYQLSBTI-GHMZBOCLSA-N 1 0 313.379 1.274 20 5 DDBDRO [NH3+]C[C@H]1c2ccccc2CCN1C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000579717071 422821735 /nfs/dbraw/zinc/82/17/35/422821735.db2.gz XXLDMHWMRPDXCO-NSHDSACASA-N 1 0 301.306 1.016 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000569095401 304336553 /nfs/dbraw/zinc/33/65/53/304336553.db2.gz UZEYCZDTISLFIS-ZWNOBZJWSA-N 1 0 307.350 1.851 20 5 DDBDRO COc1ccc(C(=O)N(C[C@H]2CCC[NH2+]2)C2CC2)cc1[N+](=O)[O-] ZINC000186507405 286271729 /nfs/dbraw/zinc/27/17/29/286271729.db2.gz QLXBPHDEUWRAAU-GFCCVEGCSA-N 1 0 319.361 1.960 20 5 DDBDRO CC[C@H](Cc1ccccc1)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000570036809 304391260 /nfs/dbraw/zinc/39/12/60/304391260.db2.gz HLDVJGTWXFDZGG-ZBFHGGJFSA-N 1 0 318.377 1.763 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2CCc3ccc(F)cc32)c1 ZINC000570082309 304394628 /nfs/dbraw/zinc/39/46/28/304394628.db2.gz ICUJXNOZFGMHOY-HIFRSBDPSA-N 1 0 320.324 1.568 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000570279875 304404063 /nfs/dbraw/zinc/40/40/63/304404063.db2.gz PPJXDIYKSLTMBW-UWVGGRQHSA-N 1 0 322.365 1.392 20 5 DDBDRO O=C(COc1cccc([N+](=O)[O-])c1)N[C@@H]1C[C@@H]1C1CC[NH2+]CC1 ZINC000361109354 299802292 /nfs/dbraw/zinc/80/22/92/299802292.db2.gz NBUYXCNFJFKSQS-HUUCEWRRSA-N 1 0 319.361 1.478 20 5 DDBDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000068084872 406615416 /nfs/dbraw/zinc/61/54/16/406615416.db2.gz SBVRZFAHHBLQLI-CYBMUJFWSA-N 1 0 323.397 1.562 20 5 DDBDRO CC(C)[NH+]1CCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000078344740 407025349 /nfs/dbraw/zinc/02/53/49/407025349.db2.gz IMCQRGKWHAIMRQ-ZDUSSCGKSA-N 1 0 320.393 1.948 20 5 DDBDRO CS(=O)(=O)CCC[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000038047508 406997922 /nfs/dbraw/zinc/99/79/22/406997922.db2.gz IFRDYWFCSXAIPW-UHFFFAOYSA-N 1 0 306.771 1.773 20 5 DDBDRO COCC[NH+]1CCN(Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000051624871 407141556 /nfs/dbraw/zinc/14/15/56/407141556.db2.gz YUWXZVUKKPLVJV-UHFFFAOYSA-N 1 0 309.366 1.367 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N(C)CC[NH+]2CCCC2)c1 ZINC000103115819 407331123 /nfs/dbraw/zinc/33/11/23/407331123.db2.gz BBDZOZDNPURUKA-UHFFFAOYSA-N 1 0 307.350 1.771 20 5 DDBDRO Cc1nn(C)c(C(=O)N2CC[NH+](C3CCCC3)CC2)c1[N+](=O)[O-] ZINC000098097856 407305992 /nfs/dbraw/zinc/30/59/92/407305992.db2.gz DFEKGQGVDHRHPZ-UHFFFAOYSA-N 1 0 321.381 1.337 20 5 DDBDRO C[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C[C@H]1CCCOC1 ZINC000107691360 407378216 /nfs/dbraw/zinc/37/82/16/407378216.db2.gz SHGDFBZQJXMXSR-LLVKDONJSA-N 1 0 307.350 1.552 20 5 DDBDRO CCCc1n[nH]c(C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000127863305 407471855 /nfs/dbraw/zinc/47/18/55/407471855.db2.gz GJQNSQADNRSFSJ-MNOVXSKESA-N 1 0 323.397 1.825 20 5 DDBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000185725334 407488821 /nfs/dbraw/zinc/48/88/21/407488821.db2.gz ULPXXBLXQSENTR-ONGXEEELSA-N 1 0 308.338 1.108 20 5 DDBDRO C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000185774902 407500368 /nfs/dbraw/zinc/50/03/68/407500368.db2.gz SLAFDLLXCGXMLA-NSHDSACASA-N 1 0 313.379 1.215 20 5 DDBDRO C[C@H]1CCC[N@H+](CCCCNC(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000271087334 407507202 /nfs/dbraw/zinc/50/72/02/407507202.db2.gz HHESQRVOXDFPQW-LBPRGKRZSA-N 1 0 323.397 1.570 20 5 DDBDRO CC(C)[N@H+](C)CCNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000112928607 407450028 /nfs/dbraw/zinc/45/00/28/407450028.db2.gz PXJMZTROGTXMLL-UHFFFAOYSA-N 1 0 309.366 1.820 20 5 DDBDRO NC(=O)CCC1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000270991145 407456320 /nfs/dbraw/zinc/45/63/20/407456320.db2.gz BKKITAYWJJLCLD-UHFFFAOYSA-N 1 0 321.377 1.951 20 5 DDBDRO C[NH+](C)C[C@H]1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000114148410 407544462 /nfs/dbraw/zinc/54/44/62/407544462.db2.gz ITIASNJQADYCOP-SNVBAGLBSA-N 1 0 317.349 1.495 20 5 DDBDRO Cc1ccc(S(=O)(=O)N[C@@H](C[NH3+])C(C)(C)C)cc1[N+](=O)[O-] ZINC000261595020 407544410 /nfs/dbraw/zinc/54/44/10/407544410.db2.gz CRXVSXLHNWCNQO-LBPRGKRZSA-N 1 0 315.395 1.555 20 5 DDBDRO C[C@@H](CNC(=O)c1ccccc1[N+](=O)[O-])C[NH+]1CCN(C)CC1 ZINC000114140985 407544959 /nfs/dbraw/zinc/54/49/59/407544959.db2.gz JXTPSNHKTDHTHQ-ZDUSSCGKSA-N 1 0 320.393 1.208 20 5 DDBDRO C[NH2+][C@H]1CCCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000261739368 407599083 /nfs/dbraw/zinc/59/90/83/407599083.db2.gz KJUGFDBHYYXLRP-AAEUAGOBSA-N 1 0 306.366 1.606 20 5 DDBDRO C[NH2+][C@H]1CCCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000261771985 407611256 /nfs/dbraw/zinc/61/12/56/407611256.db2.gz ODJRTCRJLCWTDT-ZDUSSCGKSA-N 1 0 318.377 1.168 20 5 DDBDRO C[C@H]1OCC[C@@]1(O)C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000227967163 407642715 /nfs/dbraw/zinc/64/27/15/407642715.db2.gz YPDSZAHGVXLCRD-NOZJJQNGSA-N 1 0 300.742 1.878 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC[C@H]1CCC[NH2+]1 ZINC000178917110 407656250 /nfs/dbraw/zinc/65/62/50/407656250.db2.gz QDNGNHRHPXKAJO-LLVKDONJSA-N 1 0 313.379 1.242 20 5 DDBDRO Cc1nn(CCC(=O)N[C@H](C[NH3+])CC(C)C)c(C)c1[N+](=O)[O-] ZINC000236627835 407735497 /nfs/dbraw/zinc/73/54/97/407735497.db2.gz XAKDKKLQWVXJPW-LBPRGKRZSA-N 1 0 311.386 1.288 20 5 DDBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+]C1CCCC1 ZINC000116922606 407798873 /nfs/dbraw/zinc/79/88/73/407798873.db2.gz GMFZTLOCBIAMQK-UHFFFAOYSA-N 1 0 313.379 1.405 20 5 DDBDRO C[C@H]([NH3+])[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000237428246 407818885 /nfs/dbraw/zinc/81/88/85/407818885.db2.gz ZXEFDXUFEIVOLP-IUCAKERBSA-N 1 0 319.408 1.404 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)[C@H](C)C[NH3+])cc1C ZINC000237655771 407835078 /nfs/dbraw/zinc/83/50/78/407835078.db2.gz XTYWTOYSTCUYJK-SNVBAGLBSA-N 1 0 301.368 1.179 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[NH2+][C@@H](C)[C@@H]1C ZINC000262736783 407911981 /nfs/dbraw/zinc/91/19/81/407911981.db2.gz APWIFLGJHGNOMY-QWRGUYRKSA-N 1 0 313.379 1.274 20 5 DDBDRO [NH3+]C1(CC(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)CCC1 ZINC000237991345 407863064 /nfs/dbraw/zinc/86/30/64/407863064.db2.gz CRINAQFVWIKCCU-NSHDSACASA-N 1 0 319.365 1.274 20 5 DDBDRO O=C([C@H]1CCCC[NH2+]1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000237996244 407865547 /nfs/dbraw/zinc/86/55/47/407865547.db2.gz BQPQJGUJESNJLC-OAHLLOKOSA-N 1 0 318.377 1.386 20 5 DDBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000268135975 407907408 /nfs/dbraw/zinc/90/74/08/407907408.db2.gz CIGUGXFLKUAGKB-RNCFNFMXSA-N 1 0 304.350 1.390 20 5 DDBDRO [NH3+]CCNC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000237869482 407847730 /nfs/dbraw/zinc/84/77/30/407847730.db2.gz HOKDKFDZAPLLMH-UHFFFAOYSA-N 1 0 320.271 1.491 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H]([C@@H](C)O)C1 ZINC000272527315 407964433 /nfs/dbraw/zinc/96/44/33/407964433.db2.gz IAQOFUNTCFSODX-OLZOCXBDSA-N 1 0 321.377 1.935 20 5 DDBDRO Cc1nn(CCC(=O)N[C@@H]2CC[NH2+][C@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000262922781 407971112 /nfs/dbraw/zinc/97/11/12/407971112.db2.gz RWJUXQIAHWZZJQ-BXKDBHETSA-N 1 0 309.370 1.055 20 5 DDBDRO C[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C[C@@H]1CCC[C@@H]1O ZINC000182256727 408105624 /nfs/dbraw/zinc/10/56/24/408105624.db2.gz NZUIBEWWRDPCIU-YDHLFZDLSA-N 1 0 324.377 1.427 20 5 DDBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000121239746 408168168 /nfs/dbraw/zinc/16/81/68/408168168.db2.gz KRXSLTVHWKYVIE-OLZOCXBDSA-N 1 0 321.377 1.772 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H](CO)C1 ZINC000122202441 408266461 /nfs/dbraw/zinc/26/64/61/408266461.db2.gz MBYFPFNQUPBATB-ZDUSSCGKSA-N 1 0 321.377 1.936 20 5 DDBDRO CC[C@@H](C)NC(=O)CC[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000121456472 408216316 /nfs/dbraw/zinc/21/63/16/408216316.db2.gz NCKHCBNXOPJDID-LLVKDONJSA-N 1 0 309.366 1.998 20 5 DDBDRO CC[C@H](C)[N@H+](C)CCNC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000269475173 408322358 /nfs/dbraw/zinc/32/23/58/408322358.db2.gz VADLOVBIBFEREC-JTQLQIEISA-N 1 0 311.386 1.901 20 5 DDBDRO C[C@@H](O)[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000183195805 408349060 /nfs/dbraw/zinc/34/90/60/408349060.db2.gz CMCIEMWMFLZBEV-QJPTWQEYSA-N 1 0 307.350 1.625 20 5 DDBDRO CC(=O)NCC1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000269666823 408384868 /nfs/dbraw/zinc/38/48/68/408384868.db2.gz MAXCLLKMVMXSEC-INIZCTEOSA-N 1 0 321.377 1.476 20 5 DDBDRO O=C(C[C@@H]1CC[NH2+]C1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000174017712 162387161 /nfs/dbraw/zinc/38/71/61/162387161.db2.gz OQHPAYOIQZESIS-ZDUSSCGKSA-N 1 0 318.377 1.243 20 5 DDBDRO COC[C@H]([NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1C)C1CC1 ZINC000183447289 408413560 /nfs/dbraw/zinc/41/35/60/408413560.db2.gz OLVSKYWDSNUXJG-AWEZNQCLSA-N 1 0 307.350 1.856 20 5 DDBDRO C[NH2+][C@@H]1CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000160568206 408497501 /nfs/dbraw/zinc/49/75/01/408497501.db2.gz UWPSPJAKTXLCJI-GFCCVEGCSA-N 1 0 304.350 1.603 20 5 DDBDRO Cc1cc(C(=O)NCC2CC[NH+](CCO)CC2)ccc1[N+](=O)[O-] ZINC000160630999 408506197 /nfs/dbraw/zinc/50/61/97/408506197.db2.gz GMLXYWPUCHOPHF-UHFFFAOYSA-N 1 0 321.377 1.337 20 5 DDBDRO CC[N@H+](CCO)CCNC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC000183952697 408517986 /nfs/dbraw/zinc/51/79/86/408517986.db2.gz OSAGBQAFIAUWSK-UHFFFAOYSA-N 1 0 323.393 1.564 20 5 DDBDRO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000247390009 408462061 /nfs/dbraw/zinc/46/20/61/408462061.db2.gz QIDCXTLBTPEKTI-TZMCWYRMSA-N 1 0 305.378 1.982 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000247382256 408463027 /nfs/dbraw/zinc/46/30/27/408463027.db2.gz LMOXTLVGWZTGPC-QMTHXVAHSA-N 1 0 306.366 1.710 20 5 DDBDRO Cc1cc(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)c(N)c([N+](=O)[O-])c1 ZINC000176889806 408466436 /nfs/dbraw/zinc/46/64/36/408466436.db2.gz AFVKODSKOHYMTD-NSHDSACASA-N 1 0 306.366 1.652 20 5 DDBDRO CC1(C)C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC[C@@H]1O ZINC000275543106 408595871 /nfs/dbraw/zinc/59/58/71/408595871.db2.gz ZFKCGJCLFBREOE-WFASDCNBSA-N 1 0 324.377 1.427 20 5 DDBDRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)/C=C/c3cccc([N+](=O)[O-])c3)C[C@@H]12 ZINC000184973251 408727697 /nfs/dbraw/zinc/72/76/97/408727697.db2.gz HZHRQWYMGSSIGD-CRAZZNQFSA-N 1 0 301.346 1.804 20 5 DDBDRO C[C@H](O)C[N@@H+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000251946762 408790114 /nfs/dbraw/zinc/79/01/14/408790114.db2.gz UGLQOHGLRDBMOI-STQMWFEESA-N 1 0 321.377 1.051 20 5 DDBDRO CN(CC[N@H+](C)C1CC1)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000185282293 408791246 /nfs/dbraw/zinc/79/12/46/408791246.db2.gz GIVDQGOSDFMJNS-UHFFFAOYSA-N 1 0 306.366 1.830 20 5 DDBDRO CC[C@H]1CN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@H]1O ZINC000270942883 408752409 /nfs/dbraw/zinc/75/24/09/408752409.db2.gz RSFKXYPVNIOLCV-GXFFZTMASA-N 1 0 318.333 1.848 20 5 DDBDRO [NH3+][C@H]1CC[C@@H]2CN(C(=O)CSc3ccc([N+](=O)[O-])cc3)C[C@@H]12 ZINC000185153046 408771248 /nfs/dbraw/zinc/77/12/48/408771248.db2.gz JGNMCQXSXSFUFS-HONMWMINSA-N 1 0 321.402 1.883 20 5 DDBDRO C[C@H](C(=O)NC[C@@H]1CC[N@H+](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000185183433 408777127 /nfs/dbraw/zinc/77/71/27/408777127.db2.gz NWUZMFDDRQWAGM-QWRGUYRKSA-N 1 0 309.341 1.905 20 5 DDBDRO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000285749060 408855458 /nfs/dbraw/zinc/85/54/58/408855458.db2.gz RNBBDOFTZDGNMP-LLVKDONJSA-N 1 0 307.354 1.266 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC1=CC[NH2+]CC1 ZINC000189298178 163092616 /nfs/dbraw/zinc/09/26/16/163092616.db2.gz ZPJTWAOJVYFYOY-UHFFFAOYSA-N 1 0 311.363 1.101 20 5 DDBDRO CO[C@H](C)[C@H](C)[NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000191715159 163199371 /nfs/dbraw/zinc/19/93/71/163199371.db2.gz DUVLAODOPVRKNJ-MISXGVKJSA-N 1 0 307.350 1.713 20 5 DDBDRO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(c2cc(C)c([N+](=O)[O-])cn2)C1 ZINC000286338146 408966493 /nfs/dbraw/zinc/96/64/93/408966493.db2.gz KBFLYNAWHWAEDT-KBPBESRZSA-N 1 0 320.393 1.988 20 5 DDBDRO Cn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)n1 ZINC000277598573 408973841 /nfs/dbraw/zinc/97/38/41/408973841.db2.gz TYSQBFBYEIGVPS-NSHDSACASA-N 1 0 307.354 1.075 20 5 DDBDRO C[NH2+][C@H](C)CNC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000283249802 409122049 /nfs/dbraw/zinc/12/20/49/409122049.db2.gz DLDVDRFPAQWCNL-SSDOTTSWSA-N 1 0 310.310 1.458 20 5 DDBDRO CN1CC[C@@H]([NH2+]CCn2ccc([N+](=O)[O-])n2)[C@@H]1c1ccccc1 ZINC000289324461 409249402 /nfs/dbraw/zinc/24/94/02/409249402.db2.gz CSJJWRQLFGULFF-ZBFHGGJFSA-N 1 0 315.377 1.826 20 5 DDBDRO CCOc1ccc(C(=O)N2CC[C@@](C)(C[NH3+])C2)cc1[N+](=O)[O-] ZINC000262105154 163769111 /nfs/dbraw/zinc/76/91/11/163769111.db2.gz VFSISBVMDLPXRQ-HNNXBMFYSA-N 1 0 307.350 1.804 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CCS(=O)(=O)C(C)C ZINC000290144777 409308748 /nfs/dbraw/zinc/30/87/48/409308748.db2.gz KPXQIPOKZYLADG-UHFFFAOYSA-N 1 0 300.380 1.816 20 5 DDBDRO Cc1cc(OCC(=O)NCC(C)(C)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000280458122 409314197 /nfs/dbraw/zinc/31/41/97/409314197.db2.gz FIPRGLMXRPGRAE-UHFFFAOYSA-N 1 0 309.366 1.738 20 5 DDBDRO C[C@@H]1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000262553483 163848457 /nfs/dbraw/zinc/84/84/57/163848457.db2.gz SVSBEACPHGXAQK-NEPJUHHUSA-N 1 0 306.366 1.593 20 5 DDBDRO CN(CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)CC(C)(C)CO ZINC000295180798 409359926 /nfs/dbraw/zinc/35/99/26/409359926.db2.gz HYOOTIZFPBBLHL-UHFFFAOYSA-N 1 0 321.377 1.434 20 5 DDBDRO CC[C@@H]([NH3+])CNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000295211677 409377781 /nfs/dbraw/zinc/37/77/81/409377781.db2.gz LRFDTRZYKKPLEQ-SNVBAGLBSA-N 1 0 303.322 1.248 20 5 DDBDRO Cc1ccc(NC(=O)c2cc([N+](=O)[O-])n[nH]2)c(C[NH+](C)C)c1 ZINC000285439819 409446827 /nfs/dbraw/zinc/44/68/27/409446827.db2.gz IFYMIJMQWHSNLS-UHFFFAOYSA-N 1 0 303.322 1.940 20 5 DDBDRO CNc1c(C(=O)N(C)C2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000317536865 164028349 /nfs/dbraw/zinc/02/83/49/164028349.db2.gz ANSLVRHTTJQJIL-UHFFFAOYSA-N 1 0 306.366 1.803 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH+]1CCC2(CCO2)CC1 ZINC000374376927 164172565 /nfs/dbraw/zinc/17/25/65/164172565.db2.gz HHZVADFERPXCOA-ZDUSSCGKSA-N 1 0 322.361 1.589 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)C[C@@H]21 ZINC000408468100 164341367 /nfs/dbraw/zinc/34/13/67/164341367.db2.gz PXTXPFYWSKFFBI-RISCZKNCSA-N 1 0 314.345 1.852 20 5 DDBDRO CC[N@@H+]1CCCC[C@H]1CNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290704112 409492310 /nfs/dbraw/zinc/49/23/10/409492310.db2.gz WJXJMSMPFAAKNB-JTQLQIEISA-N 1 0 307.354 1.375 20 5 DDBDRO CC[N@H+](C)CCNS(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000337933941 409581797 /nfs/dbraw/zinc/58/17/97/409581797.db2.gz FCPNSKGOAURJEX-UHFFFAOYSA-N 1 0 301.368 1.133 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)n1 ZINC000331520393 409593600 /nfs/dbraw/zinc/59/36/00/409593600.db2.gz FTFHCPNPHRYGIW-VXGBXAGGSA-N 1 0 321.381 1.510 20 5 DDBDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000356843159 409654946 /nfs/dbraw/zinc/65/49/46/409654946.db2.gz GBLWLEUAMPODOX-QWHCGFSZSA-N 1 0 321.377 1.915 20 5 DDBDRO CC(C)C[C@H]1CCC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000305052867 409663554 /nfs/dbraw/zinc/66/35/54/409663554.db2.gz NHUSBRMWLRWMLF-UKRRQHHQSA-N 1 0 310.398 1.910 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2CCc3c2cccc3O)c1 ZINC000296962545 409729263 /nfs/dbraw/zinc/72/92/63/409729263.db2.gz YIRUTSBKPVIQOW-BXUZGUMPSA-N 1 0 318.333 1.135 20 5 DDBDRO O=C(/C=C/c1ccccc1[N+](=O)[O-])NCC[NH+]1CCC(O)CC1 ZINC000297111253 409808110 /nfs/dbraw/zinc/80/81/10/409808110.db2.gz YCPAMLSLMCANNE-AATRIKPKSA-N 1 0 319.361 1.181 20 5 DDBDRO COCC[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)C(C)(C)C ZINC000338391563 409953927 /nfs/dbraw/zinc/95/39/27/409953927.db2.gz ZQLYKTGLUNZFFK-ZDUSSCGKSA-N 1 0 311.382 1.797 20 5 DDBDRO C[NH+](C)[C@@]1(CNc2cccc(C(N)=O)c2[N+](=O)[O-])CCSC1 ZINC000342825844 409928763 /nfs/dbraw/zinc/92/87/63/409928763.db2.gz QQOVMZHINSDTBZ-CQSZACIVSA-N 1 0 324.406 1.543 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC3(CCC3)[C@@H]2C2CC2)c1 ZINC000357457082 410050933 /nfs/dbraw/zinc/05/09/33/410050933.db2.gz VAALKWLSJYAIDC-KBPBESRZSA-N 1 0 306.366 1.417 20 5 DDBDRO COc1ccc(CN2CCO[C@H]3CC[N@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000332321988 410066524 /nfs/dbraw/zinc/06/65/24/410066524.db2.gz RORRSKDNHWUOAB-HOCLYGCPSA-N 1 0 321.377 1.508 20 5 DDBDRO C[C@H](CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)[NH+](C)C ZINC000298301482 410170399 /nfs/dbraw/zinc/17/03/99/410170399.db2.gz BOXVCDSCJAEBRM-SECBINFHSA-N 1 0 309.322 1.046 20 5 DDBDRO CC[C@@H](CNc1ncc([N+](=O)[O-])cc1C(N)=O)[NH+]1CCCC1 ZINC000298456007 410236760 /nfs/dbraw/zinc/23/67/60/410236760.db2.gz JKYFIGRERBHTAV-JTQLQIEISA-N 1 0 307.354 1.375 20 5 DDBDRO C[N@@H+]1CCCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000298687212 410346429 /nfs/dbraw/zinc/34/64/29/410346429.db2.gz WIBSWBRYXNWDLL-UHFFFAOYSA-N 1 0 317.349 1.782 20 5 DDBDRO C[N@@H+]1CC[C@@](O)(CNc2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000358361129 410453445 /nfs/dbraw/zinc/45/34/45/410453445.db2.gz WGNGXKOOUJGUDA-OAHLLOKOSA-N 1 0 302.334 1.622 20 5 DDBDRO CC[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C[C@@H](C)O ZINC000352232820 410564717 /nfs/dbraw/zinc/56/47/17/410564717.db2.gz WJQPJCRYFYEZNS-LLVKDONJSA-N 1 0 307.350 1.187 20 5 DDBDRO CCOC(=O)c1cc(C(=O)N2CCC[C@@H]([NH3+])C2)cc([N+](=O)[O-])c1 ZINC000347499730 410590755 /nfs/dbraw/zinc/59/07/55/410590755.db2.gz OLQPLNXFQUCGGS-GFCCVEGCSA-N 1 0 321.333 1.335 20 5 DDBDRO CC(C)[NH+](CCN(C)c1ncc([N+](=O)[O-])cc1C(N)=O)C(C)C ZINC000355579375 410590799 /nfs/dbraw/zinc/59/07/99/410590799.db2.gz VLFMAHLACOQCLU-UHFFFAOYSA-N 1 0 323.397 1.644 20 5 DDBDRO CCC[N@@H+]1CCC[C@@H]1CNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000343583282 410553390 /nfs/dbraw/zinc/55/33/90/410553390.db2.gz YGRYMVDBIFJLKQ-CYBMUJFWSA-N 1 0 321.377 1.964 20 5 DDBDRO C[N@@H+]1CCC[C@@H](N2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000301310488 410695081 /nfs/dbraw/zinc/69/50/81/410695081.db2.gz ZRFOBRKCJCYHBM-CQSZACIVSA-N 1 0 304.394 1.811 20 5 DDBDRO CC[NH+](CC)[C@H]1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC)C1 ZINC000301451781 410722884 /nfs/dbraw/zinc/72/28/84/410722884.db2.gz GCIYHMMVWRMOOF-ZDUSSCGKSA-N 1 0 320.393 1.875 20 5 DDBDRO C[N@@H+]1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])C(C)(C)C1 ZINC000330579595 410794680 /nfs/dbraw/zinc/79/46/80/410794680.db2.gz SSSVTGSETKUBDF-UHFFFAOYSA-N 1 0 320.393 1.949 20 5 DDBDRO C[C@@H]1CC[N@H+](C)CCN1C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000340296754 410835239 /nfs/dbraw/zinc/83/52/39/410835239.db2.gz FZKXDSNZLRYZSP-CYBMUJFWSA-N 1 0 320.393 1.873 20 5 DDBDRO CC(C)[C@H](CO)[NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000359817277 410897460 /nfs/dbraw/zinc/89/74/60/410897460.db2.gz XVVLIJGTQZEQEV-LBPRGKRZSA-N 1 0 306.322 1.751 20 5 DDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000341172772 410914147 /nfs/dbraw/zinc/91/41/47/410914147.db2.gz CKOAHZRXMCVRHE-ZDUSSCGKSA-N 1 0 318.377 1.673 20 5 DDBDRO Cc1c(NC(=O)CCN(C)[C@H](C[NH3+])C2CC2)cccc1[N+](=O)[O-] ZINC000359884512 410934111 /nfs/dbraw/zinc/93/41/11/410934111.db2.gz WNXJSVILLBKUPY-OAHLLOKOSA-N 1 0 320.393 1.901 20 5 DDBDRO Cc1cc(OCC(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000331201531 411014088 /nfs/dbraw/zinc/01/40/88/411014088.db2.gz QJKPRYYDDORZGF-QWHCGFSZSA-N 1 0 321.377 1.881 20 5 DDBDRO C[C@H](CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)C[NH+](C)C ZINC000341329307 411006700 /nfs/dbraw/zinc/00/67/00/411006700.db2.gz PGFWYOYIQXWFSC-SECBINFHSA-N 1 0 315.320 1.729 20 5 DDBDRO O=[N+]([O-])c1ccc(NC[C@@H]2CCC[C@@H]2[NH+]2CCOCC2)nc1 ZINC000360231848 411106806 /nfs/dbraw/zinc/10/68/06/411106806.db2.gz ZOQRFHHTXHMSPC-JSGCOSHPSA-N 1 0 306.366 1.903 20 5 DDBDRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)c1ccc([N+](=O)[O-])cc1 ZINC000131399148 196165269 /nfs/dbraw/zinc/16/52/69/196165269.db2.gz JZIYPCPQEGUCOT-OAHLLOKOSA-N 1 0 321.377 1.562 20 5 DDBDRO C[C@@H]([NH3+])[C@@H]1CCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000132292569 196242255 /nfs/dbraw/zinc/24/22/55/196242255.db2.gz OXGZPSSHQHRJFX-ZYHUDNBSSA-N 1 0 313.379 1.094 20 5 DDBDRO Cc1c(NC(=O)C(=O)N2C[C@H](C[NH3+])C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000415526484 224636249 /nfs/dbraw/zinc/63/62/49/224636249.db2.gz QDEMZFJMSGLANN-ONGXEEELSA-N 1 0 320.349 1.037 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC1(C)CC[NH2+]CC1 ZINC000417175753 225232052 /nfs/dbraw/zinc/23/20/52/225232052.db2.gz JGDPQVQORPZJNR-UHFFFAOYSA-N 1 0 322.365 1.545 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000417183644 225235183 /nfs/dbraw/zinc/23/51/83/225235183.db2.gz QDCMRUDMRYURJO-NEPJUHHUSA-N 1 0 322.365 1.673 20 5 DDBDRO [NH3+]CC[C@H](NC(=O)NCCc1ccc([N+](=O)[O-])cc1)C(F)F ZINC000417238383 225261058 /nfs/dbraw/zinc/26/10/58/225261058.db2.gz YKDYFUKAYXMOQF-NSHDSACASA-N 1 0 316.308 1.419 20 5 DDBDRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000418680574 225860186 /nfs/dbraw/zinc/86/01/86/225860186.db2.gz YDVNRSQIXXCVPH-FICVDOATSA-N 1 0 316.361 1.487 20 5 DDBDRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1CCc1ccc([N+](=O)[O-])cc1 ZINC000419336573 226122553 /nfs/dbraw/zinc/12/25/53/226122553.db2.gz XHRUDGNGMWGPDC-KBPBESRZSA-N 1 0 307.394 1.524 20 5 DDBDRO CCOC[C@@H](O)C[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000571756325 304485293 /nfs/dbraw/zinc/48/52/93/304485293.db2.gz BBEQKDJHKGQZKD-LBPRGKRZSA-N 1 0 302.758 1.778 20 5 DDBDRO CCC(CC)[C@H](CNc1nccc(C(N)=O)c1[N+](=O)[O-])[NH+](C)C ZINC000290572759 221752113 /nfs/dbraw/zinc/75/21/13/221752113.db2.gz UKSLFTCTEGSYOK-LBPRGKRZSA-N 1 0 323.397 1.867 20 5 DDBDRO COC(=O)[C@@H]1CCCCCC[C@@H]1[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000360486055 418446732 /nfs/dbraw/zinc/44/67/32/418446732.db2.gz VNAHHKCNJWEYHE-NEPJUHHUSA-N 1 0 324.381 1.930 20 5 DDBDRO CC[C@H]1CN(Cc2c([N+](=O)[O-])ncn2C)C[C@@]2(CCOC2)O1 ZINC000373803673 418461312 /nfs/dbraw/zinc/46/13/12/418461312.db2.gz FAVJZPNZWXGHBT-SMDDNHRTSA-N 1 0 310.354 1.098 20 5 DDBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1SC ZINC000366465806 418477470 /nfs/dbraw/zinc/47/74/70/418477470.db2.gz YTMIEGTVUHHRNI-WOFXILAISA-N 1 0 323.374 1.273 20 5 DDBDRO CC(C)[NH+]1CCC(NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000194136190 418540153 /nfs/dbraw/zinc/54/01/53/418540153.db2.gz QUFOIIXHGHQVAU-UHFFFAOYSA-N 1 0 324.356 1.919 20 5 DDBDRO O=C(N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1F ZINC000361098965 418583539 /nfs/dbraw/zinc/58/35/39/418583539.db2.gz UZGUNRCXRSXVBW-GXTWGEPZSA-N 1 0 307.325 1.852 20 5 DDBDRO C[C@H]1[NH2+]CCC[C@@H]1NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000193463734 222154927 /nfs/dbraw/zinc/15/49/27/222154927.db2.gz ZDKDLZPURCDILY-MFKMUULPSA-N 1 0 313.379 1.155 20 5 DDBDRO CC1(C)C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1[C@H]1CCCO1 ZINC000367724744 418627354 /nfs/dbraw/zinc/62/73/54/418627354.db2.gz HFQBKASWMWDLAD-BFHYXJOUSA-N 1 0 324.381 1.042 20 5 DDBDRO CCOc1ccc(NC(=O)CN2CC[C@@H](OC)C2)c([N+](=O)[O-])c1 ZINC000361383462 418639645 /nfs/dbraw/zinc/63/96/45/418639645.db2.gz BVGCEZURZIYRRZ-GFCCVEGCSA-N 1 0 323.349 1.653 20 5 DDBDRO CCOc1cc(C[N@H+](CCO)[C@H]2CCO[C@@H]2C)ccc1[N+](=O)[O-] ZINC000361584684 418686321 /nfs/dbraw/zinc/68/63/21/418686321.db2.gz FXXXBGZECLMMND-OCCSQVGLSA-N 1 0 324.377 1.965 20 5 DDBDRO COC(=O)C[C@]1([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)CCOC1 ZINC000361729278 418703536 /nfs/dbraw/zinc/70/35/36/418703536.db2.gz NRDPWZQDYPSNRJ-OAHLLOKOSA-N 1 0 324.333 1.415 20 5 DDBDRO C[C@@H]1C[C@@H](C)N(C(=O)c2cccc([N+](=O)[O-])c2N)C[C@H]1C[NH3+] ZINC000424083183 228225727 /nfs/dbraw/zinc/22/57/27/228225727.db2.gz YAAKJKCDBQHFPV-GMTAPVOTSA-N 1 0 306.366 1.622 20 5 DDBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@H](C)C[C@@H](CO)C1 ZINC000420933229 419365395 /nfs/dbraw/zinc/36/53/95/419365395.db2.gz FYGHRIPISSZYKS-FRRDWIJNSA-N 1 0 321.377 1.872 20 5 DDBDRO C[C@@H]1[C@H](CO)CCC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000412079787 419633669 /nfs/dbraw/zinc/63/36/69/419633669.db2.gz NATDXKPYNVKAED-VNHYZAJKSA-N 1 0 324.377 1.427 20 5 DDBDRO C[C@H]1[C@@H](CO)CCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000412079909 419634711 /nfs/dbraw/zinc/63/47/11/419634711.db2.gz LKJRHFUZRYJXID-GXFFZTMASA-N 1 0 307.350 1.287 20 5 DDBDRO COc1cc(CN2CC[C@H]3[NH2+]CC[C@@H]3C2)c([N+](=O)[O-])cc1OC ZINC000427130763 419599055 /nfs/dbraw/zinc/59/90/55/419599055.db2.gz LQKMFDYALDXCRD-DGCLKSJQSA-N 1 0 321.377 1.796 20 5 DDBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000421701038 419689165 /nfs/dbraw/zinc/68/91/65/419689165.db2.gz GRSJOKXTLBVZDW-LLVKDONJSA-N 1 0 309.370 1.079 20 5 DDBDRO C[C@H](CCCC[NH3+])NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000427958506 419775382 /nfs/dbraw/zinc/77/53/82/419775382.db2.gz JVDBWGNTOKGFFO-MRVPVSSYSA-N 1 0 307.397 1.452 20 5 DDBDRO C[NH+](C)CCN(Cc1ccccn1)c1ccc([N+](=O)[O-])cn1 ZINC000433420182 229206963 /nfs/dbraw/zinc/20/69/63/229206963.db2.gz JDUGJMZKJMSPQJ-UHFFFAOYSA-N 1 0 301.350 1.953 20 5 DDBDRO Cc1ccc(NCCCNC(=O)[C@H]([NH3+])C2CCC2)c([N+](=O)[O-])c1 ZINC000423213970 419987237 /nfs/dbraw/zinc/98/72/37/419987237.db2.gz KVCXUKNKTQRHFC-OAHLLOKOSA-N 1 0 320.393 1.949 20 5 DDBDRO C[NH+](C)C1(CNc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CC1 ZINC000418998185 420041054 /nfs/dbraw/zinc/04/10/54/420041054.db2.gz HECSFRAWSGPXQV-UHFFFAOYSA-N 1 0 318.377 1.993 20 5 DDBDRO C[C@@H](C[NH3+])CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000423446866 420053577 /nfs/dbraw/zinc/05/35/77/420053577.db2.gz CVVKZWOHAXGWRX-ZETCQYMHSA-N 1 0 316.155 1.682 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000423600991 420095070 /nfs/dbraw/zinc/09/50/70/420095070.db2.gz BLFDZYIMGGQPHV-OAHLLOKOSA-N 1 0 307.350 1.804 20 5 DDBDRO CC[NH2+][C@H](C)CNC(=O)c1cc(C(=O)OCC)cc([N+](=O)[O-])c1 ZINC000423606081 420096952 /nfs/dbraw/zinc/09/69/52/420096952.db2.gz KOUHJCDKRTUMIC-SNVBAGLBSA-N 1 0 323.349 1.499 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000415667291 420142697 /nfs/dbraw/zinc/14/26/97/420142697.db2.gz YBHORJFAIMPJOR-PHIMTYICSA-N 1 0 320.349 1.677 20 5 DDBDRO COCC[NH2+]CCNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415635547 420130553 /nfs/dbraw/zinc/13/05/53/420130553.db2.gz UXPXQEBDHYUOFN-UHFFFAOYSA-N 1 0 300.290 1.091 20 5 DDBDRO [NH3+]C[C@@H]1CCCN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000430564930 420140607 /nfs/dbraw/zinc/14/06/07/420140607.db2.gz NMUUABDOLWSWGP-LBPRGKRZSA-N 1 0 303.322 1.568 20 5 DDBDRO COc1ccc(NC(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)cc1[N+](=O)[O-] ZINC000415447885 420071086 /nfs/dbraw/zinc/07/10/86/420071086.db2.gz URDQMEWZWQIGLN-UWVGGRQHSA-N 1 0 308.338 1.818 20 5 DDBDRO CCOC(=O)c1cc(C(=O)N[C@H](C)CC[NH3+])cc([N+](=O)[O-])c1 ZINC000423520944 420071694 /nfs/dbraw/zinc/07/16/94/420071694.db2.gz WRUPBTOXRGMJSX-SECBINFHSA-N 1 0 309.322 1.239 20 5 DDBDRO COc1ccc(NC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000415452614 420072033 /nfs/dbraw/zinc/07/20/33/420072033.db2.gz YQFAPEQUFVSULY-ZJUUUORDSA-N 1 0 308.338 1.995 20 5 DDBDRO COC(=O)c1cc(C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000423574159 420085461 /nfs/dbraw/zinc/08/54/61/420085461.db2.gz WYHIKIHGLNVRCP-ZANVPECISA-N 1 0 321.333 1.109 20 5 DDBDRO C[NH2+]C1CCN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000430943505 420217266 /nfs/dbraw/zinc/21/72/66/420217266.db2.gz PHSPHUHZRHBNII-GFCCVEGCSA-N 1 0 320.393 1.914 20 5 DDBDRO C[NH2+]C[C@@H]1CCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000430925094 420209424 /nfs/dbraw/zinc/20/94/24/420209424.db2.gz KDQRVQKSYATVKZ-WFASDCNBSA-N 1 0 318.377 1.241 20 5 DDBDRO COc1ccc(OCCN2C[C@@H](C)[NH2+][C@H](C)C2)c([N+](=O)[O-])c1 ZINC000430931415 420213289 /nfs/dbraw/zinc/21/32/89/420213289.db2.gz CSRIPMNEPDYNFJ-VXGBXAGGSA-N 1 0 309.366 1.664 20 5 DDBDRO O=C(CC[C@H]1CC[NH2+]C1)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000423724254 420143934 /nfs/dbraw/zinc/14/39/34/420143934.db2.gz MPWUFRUIOSWNPB-VIFPVBQESA-N 1 0 303.322 1.799 20 5 DDBDRO [NH3+]CC1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000430652063 420171245 /nfs/dbraw/zinc/17/12/45/420171245.db2.gz WZFJOSBQJKNESA-UHFFFAOYSA-N 1 0 317.349 1.816 20 5 DDBDRO C[C@@H]1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000420347816 420227440 /nfs/dbraw/zinc/22/74/40/420227440.db2.gz ZJDQWYMVYFRGNC-OLZOCXBDSA-N 1 0 320.393 1.983 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000420355086 420230905 /nfs/dbraw/zinc/23/09/05/420230905.db2.gz BPRQNIUIOMRJMX-HWWQOWPSSA-N 1 0 320.393 1.818 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000420355087 420232140 /nfs/dbraw/zinc/23/21/40/420232140.db2.gz BPRQNIUIOMRJMX-MQIPJXDCSA-N 1 0 320.393 1.818 20 5 DDBDRO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000420375161 420245771 /nfs/dbraw/zinc/24/57/71/420245771.db2.gz SSIHHPBKSPFSLJ-HFAKWTLXSA-N 1 0 306.366 1.509 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000424075494 420310396 /nfs/dbraw/zinc/31/03/96/420310396.db2.gz PHKCZGKDTBOMTL-WZRBSPASSA-N 1 0 323.397 1.322 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@H](C)[C@@H](C)[NH3+])c1C ZINC000420450660 420296644 /nfs/dbraw/zinc/29/66/44/420296644.db2.gz YOUBATWYVUFSCT-NXEZZACHSA-N 1 0 301.368 1.226 20 5 DDBDRO Cc1ccc(S(=O)(=O)NC[C@H]2CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000416498436 420394810 /nfs/dbraw/zinc/39/48/10/420394810.db2.gz XHHJLIYHAAYOQX-LLVKDONJSA-N 1 0 313.379 1.133 20 5 DDBDRO C[C@@H]([NH3+])[C@@H]1CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000447247182 230348866 /nfs/dbraw/zinc/34/88/66/230348866.db2.gz QEKPGWDYONZUAD-ZYHUDNBSSA-N 1 0 313.379 1.094 20 5 DDBDRO O=[N+]([O-])c1cc(Cl)cnc1NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000450785967 420530726 /nfs/dbraw/zinc/53/07/26/420530726.db2.gz BZTJTUJPCCTTQK-PHIMTYICSA-N 1 0 312.757 1.918 20 5 DDBDRO CNC(=O)c1ccc(N(C)[C@H]2CC[N@@H+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000450947099 420567117 /nfs/dbraw/zinc/56/71/17/420567117.db2.gz BALUAASOQXGORI-ZDUSSCGKSA-N 1 0 320.393 1.873 20 5 DDBDRO CNc1nc(C(=O)NC(C)(C)C[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000457043715 420595160 /nfs/dbraw/zinc/59/51/60/420595160.db2.gz WUVHTRLXEGFZTH-UHFFFAOYSA-N 1 0 321.381 1.636 20 5 DDBDRO C[C@H](CNC(=O)N[C@@H]1C[NH2+]CC1(C)C)c1ccccc1[N+](=O)[O-] ZINC001120577584 782034087 /nfs/dbraw/zinc/03/40/87/782034087.db2.gz DWUCNNJPSZHMKX-BXUZGUMPSA-N 1 0 320.393 1.996 20 5 DDBDRO CCCNC(=O)CC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447527591 420778449 /nfs/dbraw/zinc/77/84/49/420778449.db2.gz FKWNVLZZWAGRFV-CHWSQXEVSA-N 1 0 323.397 1.781 20 5 DDBDRO Cc1noc(CC[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)n1 ZINC000447579938 420784462 /nfs/dbraw/zinc/78/44/62/420784462.db2.gz MNDDHEJLDUTTMX-VXGBXAGGSA-N 1 0 320.353 1.799 20 5 DDBDRO CC[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])c(NC)n2)CC1 ZINC000454379539 420849965 /nfs/dbraw/zinc/84/99/65/420849965.db2.gz UEPHJVQZAOODJS-UHFFFAOYSA-N 1 0 307.354 1.246 20 5 DDBDRO COc1ccc(NC(=O)CN2[C@H](C)C[NH2+]C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000493531308 420874797 /nfs/dbraw/zinc/87/47/97/420874797.db2.gz SVUAVQJFLPFKKE-PHIMTYICSA-N 1 0 322.365 1.224 20 5 DDBDRO CNc1nc(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)ccc1[N+](=O)[O-] ZINC000455657473 421050278 /nfs/dbraw/zinc/05/02/78/421050278.db2.gz MFEZJUZEXLUVAZ-MNOVXSKESA-N 1 0 319.365 1.340 20 5 DDBDRO CCc1ccc(C(=O)N[C@H]2C[NH2+]CCC2(F)F)cc1[N+](=O)[O-] ZINC000449664701 421053221 /nfs/dbraw/zinc/05/32/21/421053221.db2.gz LPJIEGGGOPEFNN-LBPRGKRZSA-N 1 0 313.304 1.884 20 5 DDBDRO CNc1nc(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000455778695 421061429 /nfs/dbraw/zinc/06/14/29/421061429.db2.gz HQBBBKNWQQNSOW-SNVBAGLBSA-N 1 0 323.397 1.738 20 5 DDBDRO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@H](O)C[C@H]2[C@@H]2CCCOC2)cc1 ZINC000449430235 421010327 /nfs/dbraw/zinc/01/03/27/421010327.db2.gz BVOPQTGUJLKBIW-BMFZPTHFSA-N 1 0 306.362 1.957 20 5 DDBDRO CC[C@H]([NH3+])CNC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000449603608 421035855 /nfs/dbraw/zinc/03/58/55/421035855.db2.gz HMFQHMYFVULADJ-NSHDSACASA-N 1 0 317.349 1.462 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000449612077 421038558 /nfs/dbraw/zinc/03/85/58/421038558.db2.gz JRFCGDAKOMHHEP-VIFPVBQESA-N 1 0 303.265 1.316 20 5 DDBDRO [NH3+]CC[C@@H](NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)C(F)F ZINC000449612552 421038635 /nfs/dbraw/zinc/03/86/35/421038635.db2.gz MXCUSGYKMXGTCJ-SECBINFHSA-N 1 0 313.264 1.183 20 5 DDBDRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000449619177 421039515 /nfs/dbraw/zinc/03/95/15/421039515.db2.gz OJWAGCDUEROMNJ-LVSDBSMHSA-N 1 0 307.325 1.980 20 5 DDBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])c(NC)n2)C[C@@H]1C ZINC000456006773 421088099 /nfs/dbraw/zinc/08/80/99/421088099.db2.gz CCMFUHDDPZHRBU-WDEREUQCSA-N 1 0 321.381 1.586 20 5 DDBDRO C[C@]1(CO)CCC[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000546809471 421311680 /nfs/dbraw/zinc/31/16/80/421311680.db2.gz QRSHPSPOOGWVDJ-MRXNPFEDSA-N 1 0 319.361 1.331 20 5 DDBDRO CNc1ccc(C(=O)NCC[N@@H+]2CC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000524720577 421268042 /nfs/dbraw/zinc/26/80/42/421268042.db2.gz YRCCZXZAQNUHRW-LLVKDONJSA-N 1 0 306.366 1.708 20 5 DDBDRO CC[N@H+]1C[C@@H](C)N(C(=O)c2c([N+](=O)[O-])c(C)nn2C)[C@@H](C)C1 ZINC000561810878 421335885 /nfs/dbraw/zinc/33/58/85/421335885.db2.gz MXYJRYNLZLEFMR-AOOOYVTPSA-N 1 0 309.370 1.191 20 5 DDBDRO COc1ccc(CC(=O)N(C)CC[N@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000548113393 421402134 /nfs/dbraw/zinc/40/21/34/421402134.db2.gz RTXYYHWVFOXTCD-UHFFFAOYSA-N 1 0 321.377 1.699 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)n1 ZINC000548036722 421391697 /nfs/dbraw/zinc/39/16/97/421391697.db2.gz ASZNBFDRFLEBTO-ZDUSSCGKSA-N 1 0 322.409 1.888 20 5 DDBDRO CN(Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)[C@H]1CC[NH2+]C1 ZINC000563129823 421460904 /nfs/dbraw/zinc/46/09/04/421460904.db2.gz AKCLPZFTIKSJOX-HNNXBMFYSA-N 1 0 315.377 1.789 20 5 DDBDRO CC(C)(CNC(=O)c1ccnc(N)c1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000548712815 421465418 /nfs/dbraw/zinc/46/54/18/421465418.db2.gz YJJVIMKXGDELOF-UHFFFAOYSA-N 1 0 321.381 1.566 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)c1 ZINC000515294554 421490023 /nfs/dbraw/zinc/49/00/23/421490023.db2.gz ZUWMWKRPIPYEPY-XHDPSFHLSA-N 1 0 319.361 1.770 20 5 DDBDRO C[C@@H](C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)[NH+]1CC(C)C1 ZINC000553557633 421620613 /nfs/dbraw/zinc/62/06/13/421620613.db2.gz ZRAOYLKRCCZRIH-LBPRGKRZSA-N 1 0 319.361 1.525 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@]1(O)C[NH+]2CCC1CC2 ZINC000571483234 421719434 /nfs/dbraw/zinc/71/94/34/421719434.db2.gz PLOMAHSVRCVPAZ-MRXNPFEDSA-N 1 0 319.361 1.090 20 5 DDBDRO COC1(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCCCC1 ZINC000521032360 421770630 /nfs/dbraw/zinc/77/06/30/421770630.db2.gz GRCSHPDVOIEMSQ-CYBMUJFWSA-N 1 0 312.370 1.091 20 5 DDBDRO Nc1nccc(C(=O)NCCC[NH2+]C2CCCCC2)c1[N+](=O)[O-] ZINC000573624977 421993717 /nfs/dbraw/zinc/99/37/17/421993717.db2.gz UJACAIUBJMRIKB-UHFFFAOYSA-N 1 0 321.381 1.614 20 5 DDBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000592487677 422333683 /nfs/dbraw/zinc/33/36/83/422333683.db2.gz XTYOEYVNBNTKAS-FZMZJTMJSA-N 1 0 324.356 1.555 20 5 DDBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000575933692 422350339 /nfs/dbraw/zinc/35/03/39/422350339.db2.gz SJKRPOPHRIBXLV-WDEREUQCSA-N 1 0 319.365 1.271 20 5 DDBDRO Nc1ccc(NCC[N@@H+]2CCc3ccccc3C2)nc1[N+](=O)[O-] ZINC000596072665 422362188 /nfs/dbraw/zinc/36/21/88/422362188.db2.gz FCZYUKFQSZDZTG-UHFFFAOYSA-N 1 0 313.361 2.042 20 5 DDBDRO O=C(C[C@H]1CCC[NH2+]1)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000577175105 422382723 /nfs/dbraw/zinc/38/27/23/422382723.db2.gz FCMIBEALMSTXHW-LLVKDONJSA-N 1 0 315.333 2.066 20 5 DDBDRO CN(C)C1(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCC1 ZINC000577624325 422395966 /nfs/dbraw/zinc/39/59/66/422395966.db2.gz XSNFRWCBXCFCIP-CQSZACIVSA-N 1 0 323.393 1.408 20 5 DDBDRO O=C(CC[NH2+]C1CC1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000578246867 422533393 /nfs/dbraw/zinc/53/33/93/422533393.db2.gz DQXHKJNULRRRAK-GFCCVEGCSA-N 1 0 319.365 1.145 20 5 DDBDRO CCC[N@H+](CC)CCNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000182270110 263374778 /nfs/dbraw/zinc/37/47/78/263374778.db2.gz VZUUEXWXTFRBSW-UHFFFAOYSA-N 1 0 323.349 1.785 20 5 DDBDRO COc1cc(C(=O)N[C@H](C)C[C@H](C)[NH3+])c([N+](=O)[O-])cc1OC ZINC000320367962 271024703 /nfs/dbraw/zinc/02/47/03/271024703.db2.gz QFHGVXALUOHKTN-DTWKUNHWSA-N 1 0 311.338 1.468 20 5 DDBDRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000344775514 272115847 /nfs/dbraw/zinc/11/58/47/272115847.db2.gz WCBOLPLRMWPMSC-UHFFFAOYSA-N 1 0 323.397 1.021 20 5 DDBDRO C[C@@H]1CCC[N@@H+]1C1CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000154941680 274292830 /nfs/dbraw/zinc/29/28/30/274292830.db2.gz RLCPDYHMTWFYJD-SNVBAGLBSA-N 1 0 306.370 1.420 20 5 DDBDRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000423587178 274604969 /nfs/dbraw/zinc/60/49/69/274604969.db2.gz DTKPCHGAJFTUPG-GWCFXTLKSA-N 1 0 314.345 1.871 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)CCC[NH3+] ZINC000336841049 274763586 /nfs/dbraw/zinc/76/35/86/274763586.db2.gz RDFVZMKKQXZVAL-SNVBAGLBSA-N 1 0 301.368 1.309 20 5 DDBDRO CC(C)[C@](C)(C[NH3+])NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000262619317 275717221 /nfs/dbraw/zinc/71/72/21/275717221.db2.gz IQIVCUVHNQKJCP-HNNXBMFYSA-N 1 0 309.366 1.853 20 5 DDBDRO COC(=O)[C@H]1CC[N@H+](Cc2c([N+](=O)[O-])ncn2C)[C@H]1C(C)C ZINC000429397015 277129629 /nfs/dbraw/zinc/12/96/29/277129629.db2.gz YEDGIPODVJJHKW-JQWIXIFHSA-N 1 0 310.354 1.348 20 5 DDBDRO COc1cccc(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000195442326 278007866 /nfs/dbraw/zinc/00/78/66/278007866.db2.gz PDISVDSMHZSCCF-LLVKDONJSA-N 1 0 319.361 1.818 20 5 DDBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C)[N@H+](C)C1CC1 ZINC000057716081 278281536 /nfs/dbraw/zinc/28/15/36/278281536.db2.gz DJPKKWJZXHLVKP-NSHDSACASA-N 1 0 320.393 1.873 20 5 DDBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@H](CO)CC[NH+](CC)CC ZINC000340876030 279113598 /nfs/dbraw/zinc/11/35/98/279113598.db2.gz RPFAGZNPJMKYDF-LBPRGKRZSA-N 1 0 313.402 1.624 20 5 DDBDRO Cc1cc(C(=O)N2CCC[N@@H+](C3CC3)CC2)c(N)c([N+](=O)[O-])c1 ZINC000171474128 280324668 /nfs/dbraw/zinc/32/46/68/280324668.db2.gz LJPIOQZRGSGHKJ-UHFFFAOYSA-N 1 0 318.377 1.796 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)NCC[C@@H](C)[NH+]2CCCCC2)n1 ZINC000191890364 288711257 /nfs/dbraw/zinc/71/12/57/288711257.db2.gz DLTTXARGQPTVSE-GFCCVEGCSA-N 1 0 323.397 1.806 20 5 DDBDRO CO[C@@H](C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])C(C)C ZINC000572511556 304534630 /nfs/dbraw/zinc/53/46/30/304534630.db2.gz DRZYRQJYARSURC-WFASDCNBSA-N 1 0 312.366 1.595 20 5 DDBDRO C[C@H](C[NH3+])N(C)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000237616059 298532256 /nfs/dbraw/zinc/53/22/56/298532256.db2.gz WWGXITIYTIMJLQ-CYBMUJFWSA-N 1 0 323.396 1.960 20 5 DDBDRO CC(C)C[C@H]([NH3+])C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000574201003 304639033 /nfs/dbraw/zinc/63/90/33/304639033.db2.gz XSRZFBJFDZQLQJ-LBPRGKRZSA-N 1 0 309.370 1.328 20 5 DDBDRO Cc1nn(C)cc1[C@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000362281199 300043504 /nfs/dbraw/zinc/04/35/04/300043504.db2.gz KMGCMIZVYDUIQR-CQSZACIVSA-N 1 0 304.354 1.670 20 5 DDBDRO O=C(Cc1ccccc1[N+](=O)[O-])N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000363324525 300252004 /nfs/dbraw/zinc/25/20/04/300252004.db2.gz PQZHIGBGNIIQGF-ZIAGYGMSSA-N 1 0 303.362 1.880 20 5 DDBDRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc([N+](=O)[O-])s1 ZINC000363692487 300296964 /nfs/dbraw/zinc/29/69/64/300296964.db2.gz MRNJLXFDICYABA-ZJUUUORDSA-N 1 0 311.363 1.249 20 5 DDBDRO CN(C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000364173985 300353497 /nfs/dbraw/zinc/35/34/97/300353497.db2.gz KKHOUPHJNCJFPF-YJNKXOJESA-N 1 0 318.377 1.198 20 5 DDBDRO O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000365330344 300499724 /nfs/dbraw/zinc/49/97/24/300499724.db2.gz YFUZAULVBIPMQH-GMOCUTOCSA-N 1 0 301.346 1.818 20 5 DDBDRO Cc1ccnc(C2CC[NH+](CCn3cc([N+](=O)[O-])cn3)CC2)n1 ZINC000368325492 301002706 /nfs/dbraw/zinc/00/27/06/301002706.db2.gz AUUKZIXDWVNYPQ-UHFFFAOYSA-N 1 0 316.365 1.769 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCOCC2(CCC2)C1 ZINC000368707938 301078891 /nfs/dbraw/zinc/07/88/91/301078891.db2.gz QLRWHZVUBVZDDJ-UHFFFAOYSA-N 1 0 307.350 1.259 20 5 DDBDRO C[C@H](CN1CCOCC1)[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369019287 301119851 /nfs/dbraw/zinc/11/98/51/301119851.db2.gz XLGWVRMUWQDWJT-KGLIPLIRSA-N 1 0 323.397 1.149 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@H]3OCC[C@H]32)c1 ZINC000369788479 301225367 /nfs/dbraw/zinc/22/53/67/301225367.db2.gz SKCUFFRRNVNHBM-FVQBIDKESA-N 1 0 322.361 1.588 20 5 DDBDRO NC(=O)c1ccc(C[NH2+][C@@H]2CCO[C@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000372810275 301617472 /nfs/dbraw/zinc/61/74/72/301617472.db2.gz PBVVIWYAFSAWSJ-OCCSQVGLSA-N 1 0 305.334 1.351 20 5 DDBDRO Cc1ccc(S(=O)(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)c([N+](=O)[O-])c1 ZINC000447252181 301680545 /nfs/dbraw/zinc/68/05/45/301680545.db2.gz ZZWAVEBMKBZOMV-WDEREUQCSA-N 1 0 313.379 1.261 20 5 DDBDRO CCc1nn(C)c(N2CCC[N@H+](CCOC)CC2)c1[N+](=O)[O-] ZINC000377172517 302151383 /nfs/dbraw/zinc/15/13/83/302151383.db2.gz VAAVIJMWMHLDIL-UHFFFAOYSA-N 1 0 311.386 1.049 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@@H](Oc3ccccc3)C2)n1 ZINC000377967923 302258926 /nfs/dbraw/zinc/25/89/26/302258926.db2.gz SFUOPOIIBMYPHT-CQSZACIVSA-N 1 0 302.334 1.945 20 5 DDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000378546582 302333477 /nfs/dbraw/zinc/33/34/77/302333477.db2.gz WQCBQZTZKHDLHZ-WDEREUQCSA-N 1 0 304.350 1.534 20 5 DDBDRO CC[NH+](CC)CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000518715495 302829113 /nfs/dbraw/zinc/82/91/13/302829113.db2.gz SGKDJFKTQNIIAK-UHFFFAOYSA-N 1 0 309.322 1.395 20 5 DDBDRO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cn1)[N@@H+]1CCC[C@H](C)C1 ZINC000532134266 303276359 /nfs/dbraw/zinc/27/63/59/303276359.db2.gz VLVVJCLGMXDMNM-RYUDHWBXSA-N 1 0 306.366 1.840 20 5 DDBDRO [NH3+][C@H]1CCC[C@@H](CNC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000449639815 303484093 /nfs/dbraw/zinc/48/40/93/303484093.db2.gz QSNGBXKVJQXZCY-NEPJUHHUSA-N 1 0 307.350 1.607 20 5 DDBDRO CC(C)COC[C@H](O)C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000563002697 303908653 /nfs/dbraw/zinc/90/86/53/303908653.db2.gz JOGWFFCAPSISFK-GFCCVEGCSA-N 1 0 322.365 1.594 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000361854982 307009143 /nfs/dbraw/zinc/00/91/43/307009143.db2.gz MWMIWJBCSQSZPP-HNNXBMFYSA-N 1 0 322.365 1.400 20 5 DDBDRO Cc1ccc(CN2CCC[N@@H+]([C@@H](C)CO)CC2)cc1[N+](=O)[O-] ZINC000364973907 307055579 /nfs/dbraw/zinc/05/55/79/307055579.db2.gz NNDRYDBWCUCALX-AWEZNQCLSA-N 1 0 307.394 1.792 20 5 DDBDRO Cc1ncccc1O[C@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000365274994 307063363 /nfs/dbraw/zinc/06/33/63/307063363.db2.gz NMFBHCGXFVJEDS-ZDUSSCGKSA-N 1 0 317.349 1.648 20 5 DDBDRO C[NH+](C)[C@H]1CCCN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000365307849 307064213 /nfs/dbraw/zinc/06/42/13/307064213.db2.gz KEMJTXQDUAUDOH-LBPRGKRZSA-N 1 0 309.370 1.124 20 5 DDBDRO Nc1c(C(=O)N2CCC[C@@H]3C[NH2+]CCC[C@@H]32)cccc1[N+](=O)[O-] ZINC000366443144 307074006 /nfs/dbraw/zinc/07/40/06/307074006.db2.gz FSIBWJZPBNTXEP-YPMHNXCESA-N 1 0 318.377 1.781 20 5 DDBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)CNc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000368614984 307106481 /nfs/dbraw/zinc/10/64/81/307106481.db2.gz SOIZADIBGDVTTP-JHJVBQTASA-N 1 0 318.377 1.593 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@H](Cc3ccncc3)C2)n1 ZINC000368632507 307106648 /nfs/dbraw/zinc/10/66/48/307106648.db2.gz NHEJXEFCZAXYGV-CQSZACIVSA-N 1 0 301.350 1.751 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1CN1CCC[N@@H+]([C@H](C)CO)CC1 ZINC000373973118 307198810 /nfs/dbraw/zinc/19/88/10/307198810.db2.gz BBAQTIDEPAXKDX-CYBMUJFWSA-N 1 0 323.393 1.492 20 5 DDBDRO C[NH+](C)CCN1CCCN(c2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000376217618 307240650 /nfs/dbraw/zinc/24/06/50/307240650.db2.gz FNOBUIJDAOAVPZ-UHFFFAOYSA-N 1 0 307.398 1.251 20 5 DDBDRO Cc1nc(N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)ccc1[N+](=O)[O-] ZINC000376666743 307252547 /nfs/dbraw/zinc/25/25/47/307252547.db2.gz VKKXJNTYBVKYAW-CYBMUJFWSA-N 1 0 319.409 1.879 20 5 DDBDRO O=C1OCCN1C[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000496535591 307349020 /nfs/dbraw/zinc/34/90/20/307349020.db2.gz RQGCYNCKCDOOLW-ZDUSSCGKSA-N 1 0 305.334 1.869 20 5 DDBDRO CNC(=O)C[C@H](C)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000566121611 308044411 /nfs/dbraw/zinc/04/44/11/308044411.db2.gz KZNSLQHLHDBESY-JTQLQIEISA-N 1 0 308.338 1.038 20 5 DDBDRO O=c1c(Br)cc([N+](=O)[O-])cn1CC1CC[NH2+]CC1 ZINC000576582356 308324800 /nfs/dbraw/zinc/32/48/00/308324800.db2.gz QAVOYUCLHSJESM-UHFFFAOYSA-N 1 0 316.155 1.519 20 5 DDBDRO C[N@@H+]1CC[C@@H](C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000577208708 308370876 /nfs/dbraw/zinc/37/08/76/308370876.db2.gz PVPDGVUXAAXPLY-CYBMUJFWSA-N 1 0 318.377 1.195 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)C1(C[NH3+])CCC1 ZINC000385284780 325753703 /nfs/dbraw/zinc/75/37/03/325753703.db2.gz HJNWPIPILRUDCF-UHFFFAOYSA-N 1 0 313.379 1.405 20 5 DDBDRO COCC[NH2+]C1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000581673739 325897039 /nfs/dbraw/zinc/89/70/39/325897039.db2.gz ITFJUIREFRNCBI-UHFFFAOYSA-N 1 0 322.365 1.018 20 5 DDBDRO COc1cccc(C(=O)N(C2CC2)[C@H]2CC[NH2+]C2)c1[N+](=O)[O-] ZINC000582481114 337096538 /nfs/dbraw/zinc/09/65/38/337096538.db2.gz VGOGGWLDJYZOCN-NSHDSACASA-N 1 0 305.334 1.570 20 5 DDBDRO C[C@]1(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCCO1 ZINC000582901055 337212970 /nfs/dbraw/zinc/21/29/70/337212970.db2.gz XTJQTAZKHSLIPL-IUODEOHRSA-N 1 0 310.350 1.493 20 5 DDBDRO COc1cc(C(=O)NC(C)(C)CC[NH3+])c([N+](=O)[O-])cc1OC ZINC000397225371 337257415 /nfs/dbraw/zinc/25/74/15/337257415.db2.gz MWTZWJOWIMGSOH-UHFFFAOYSA-N 1 0 311.338 1.469 20 5 DDBDRO C[NH2+]CC1CCN(C(=O)c2cccc(OC)c2[N+](=O)[O-])CC1 ZINC000583811109 337336402 /nfs/dbraw/zinc/33/64/02/337336402.db2.gz CILYYUAGRBDULO-UHFFFAOYSA-N 1 0 307.350 1.675 20 5 DDBDRO O=C(NCCC[C@@H]1CCC[NH2+]1)NCc1cccc([N+](=O)[O-])c1 ZINC000584458924 337343887 /nfs/dbraw/zinc/34/38/87/337343887.db2.gz AWGVILNXTVRJNY-ZDUSSCGKSA-N 1 0 306.366 1.926 20 5 DDBDRO C[C@@H]1[C@H](CO)CC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000488728932 484215483 /nfs/dbraw/zinc/21/54/83/484215483.db2.gz IVLIYSNHWQLVRT-DYEKYZERSA-N 1 0 310.350 1.037 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCCS(C)(=O)=O ZINC000540192248 484309561 /nfs/dbraw/zinc/30/95/61/484309561.db2.gz BAFXQTHWSYGNTI-LLVKDONJSA-N 1 0 300.380 1.989 20 5 DDBDRO CC[N@@H+]1CC[C@@H](N(C)c2nccc(C(N)=O)c2[N+](=O)[O-])C[C@@H]1C ZINC000357540311 484509745 /nfs/dbraw/zinc/50/97/45/484509745.db2.gz XBOUCIATZSDQAZ-WDEREUQCSA-N 1 0 321.381 1.398 20 5 DDBDRO C[C@@H]1CN(CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@]1(C)CO ZINC000595875513 490372191 /nfs/dbraw/zinc/37/21/91/490372191.db2.gz QIPYMBLZMCVMNE-IAQYHMDHSA-N 1 0 307.350 1.484 20 5 DDBDRO C[C@@H]1CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000424014813 533941623 /nfs/dbraw/zinc/94/16/23/533941623.db2.gz LZJDKKAOCAJHLQ-CHWSQXEVSA-N 1 0 321.377 1.807 20 5 DDBDRO C[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C[C@H]1[NH+](C)C ZINC000332645747 533970465 /nfs/dbraw/zinc/97/04/65/533970465.db2.gz LHPXRXDDYHCSNC-DTWKUNHWSA-N 1 0 319.408 1.227 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCSC[C@@H]1C1CCC1 ZINC000419376548 534321515 /nfs/dbraw/zinc/32/15/15/534321515.db2.gz SDKSMQDYNPGRER-CQSZACIVSA-N 1 0 323.418 1.974 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@@H](C)[C@@H]([NH+](C)C)C1 ZINC000330637731 534338315 /nfs/dbraw/zinc/33/83/15/534338315.db2.gz CLBSXVQOFNXLGQ-DOMZBBRYSA-N 1 0 320.393 1.724 20 5 DDBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000417226047 534462027 /nfs/dbraw/zinc/46/20/27/534462027.db2.gz KDJQIXFPILINDN-UONOGXRCSA-N 1 0 318.377 1.388 20 5 DDBDRO [NH3+]C[C@@H](NC(=O)CNc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000423935469 534662686 /nfs/dbraw/zinc/66/26/86/534662686.db2.gz AGDUNTRXTJSMQI-CYBMUJFWSA-N 1 0 306.366 1.640 20 5 DDBDRO CCC[NH2+][C@H](C)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000294637716 528551389 /nfs/dbraw/zinc/55/13/89/528551389.db2.gz AVGLFHTWIPYBKN-CYBMUJFWSA-N 1 0 320.393 1.632 20 5 DDBDRO CC1(C)COC[C@@H]1[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000451822665 529133632 /nfs/dbraw/zinc/13/36/32/529133632.db2.gz HZNBXVPTBJDNTQ-JSGCOSHPSA-N 1 0 310.350 1.349 20 5 DDBDRO CC[C@@H]([NH2+]C[C@H](O)COCCOC)c1cccc([N+](=O)[O-])c1 ZINC000295006340 529178547 /nfs/dbraw/zinc/17/85/47/529178547.db2.gz OTMDUFWOXRYANU-LSDHHAIUSA-N 1 0 312.366 1.659 20 5 DDBDRO CC(C)[N@H+](C)CCCNc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000735857767 598498910 /nfs/dbraw/zinc/49/89/10/598498910.db2.gz YRIHOOPCSZFUAZ-UHFFFAOYSA-N 1 0 320.357 1.312 20 5 DDBDRO Cc1cc(OCC(=O)N[C@@H](C[NH+](C)C)C(C)C)ccc1[N+](=O)[O-] ZINC000797613344 700016368 /nfs/dbraw/zinc/01/63/68/700016368.db2.gz WWSKSGOGYRQKLB-AWEZNQCLSA-N 1 0 323.393 1.984 20 5 DDBDRO C[NH+](C)CCNC(=S)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000007500997 696027584 /nfs/dbraw/zinc/02/75/84/696027584.db2.gz VNPCOQZANFREOE-UHFFFAOYSA-N 1 0 311.411 1.032 20 5 DDBDRO Cc1cc(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)c(N)c([N+](=O)[O-])c1 ZINC000108459083 696633947 /nfs/dbraw/zinc/63/39/47/696633947.db2.gz ARVIPMGGDRHOCR-GFCCVEGCSA-N 1 0 318.377 1.700 20 5 DDBDRO C[C@@H]([NH3+])[C@H]1CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000132306649 696813903 /nfs/dbraw/zinc/81/39/03/696813903.db2.gz CNHQHZXSZWEREE-BDAKNGLRSA-N 1 0 317.342 1.092 20 5 DDBDRO Cn1c(C(=O)N2CCCC3(CC[NH+](C)CC3)C2)ccc1[N+](=O)[O-] ZINC000799031299 700111145 /nfs/dbraw/zinc/11/11/45/700111145.db2.gz JFCXJSFMOUJWJV-UHFFFAOYSA-N 1 0 320.393 1.881 20 5 DDBDRO C[C@H]1OCC[C@@]1(O)C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000227145457 697768925 /nfs/dbraw/zinc/76/89/25/697768925.db2.gz HRPFRCOQOSCAJW-NOZJJQNGSA-N 1 0 300.742 1.878 20 5 DDBDRO CS[C@@H]1CC[C@@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000235076101 697792618 /nfs/dbraw/zinc/79/26/18/697792618.db2.gz YWSGYEKHCXZCKI-YUSALJHKSA-N 1 0 300.384 1.026 20 5 DDBDRO COC(=O)[C@H](C)C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000246354025 698348225 /nfs/dbraw/zinc/34/82/25/698348225.db2.gz WOEMMHMHEKODFY-IAQYHMDHSA-N 1 0 322.361 1.902 20 5 DDBDRO C[NH2+]CCC1CCN(C(=O)c2cc(C)cc([N+](=O)[O-])c2N)CC1 ZINC000262076525 698453397 /nfs/dbraw/zinc/45/33/97/698453397.db2.gz PXJUJUGEMFGOSJ-UHFFFAOYSA-N 1 0 320.393 1.947 20 5 DDBDRO COC[C@H]([NH3+])C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000262396576 698467922 /nfs/dbraw/zinc/46/79/22/698467922.db2.gz ZHLANSRYHNZWEE-NSHDSACASA-N 1 0 301.730 1.180 20 5 DDBDRO CC[NH2+][C@H](C)CNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000262470017 698471094 /nfs/dbraw/zinc/47/10/94/698471094.db2.gz OOUAXLXIPLVCSX-MRVPVSSYSA-N 1 0 305.331 1.010 20 5 DDBDRO O=C(C(F)F)N1CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000989827869 698784723 /nfs/dbraw/zinc/78/47/23/698784723.db2.gz DSKASSCHPHETPN-UHFFFAOYSA-N 1 0 313.304 1.941 20 5 DDBDRO C[NH+](C)C[C@@H](O)CNc1ccc([N+](=O)[O-])cc1Br ZINC000717400857 699288602 /nfs/dbraw/zinc/28/86/02/699288602.db2.gz GQEQWXZLLLCNKA-VIFPVBQESA-N 1 0 318.171 1.692 20 5 DDBDRO Cc1c(CNC(=S)NC2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000790333512 699454324 /nfs/dbraw/zinc/45/43/24/699454324.db2.gz LHEBWCBSVBEUQI-UHFFFAOYSA-N 1 0 322.434 1.962 20 5 DDBDRO C[NH+](C)CCCOC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000791838486 699657762 /nfs/dbraw/zinc/65/77/62/699657762.db2.gz HPIMZUXHXAABSW-UHFFFAOYSA-N 1 0 310.306 1.475 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC000793923440 699787007 /nfs/dbraw/zinc/78/70/07/699787007.db2.gz AUYBMSOIVQJJJF-KGLIPLIRSA-N 1 0 303.362 1.547 20 5 DDBDRO C[N@@H+]1C[C@H]2CCN(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H]2C1 ZINC000794927329 699836341 /nfs/dbraw/zinc/83/63/41/699836341.db2.gz FLOBUBRMYNCKKV-RISCZKNCSA-N 1 0 306.322 1.639 20 5 DDBDRO C[C@@H]1OCC[C@H]1[N@H+](CCO)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000796575368 699939819 /nfs/dbraw/zinc/93/98/19/699939819.db2.gz OILNKEAFOLEXGZ-GLQYFDAESA-N 1 0 310.350 1.100 20 5 DDBDRO COC(=O)C[C@]1([NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)CCOC1 ZINC000801540191 700318816 /nfs/dbraw/zinc/31/88/16/700318816.db2.gz JMOFJMUPKUURRG-CQSZACIVSA-N 1 0 312.297 1.546 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(N2CCC[N@H+](C[C@@H]3CCCO3)CC2)n1 ZINC000765461398 701013884 /nfs/dbraw/zinc/01/38/84/701013884.db2.gz ABMLHTWCGHEQGL-AWEZNQCLSA-N 1 0 320.393 1.989 20 5 DDBDRO C[NH+](C)[C@H](CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000839695311 701787653 /nfs/dbraw/zinc/78/76/53/701787653.db2.gz DYCGMZKILHPMCF-JHJVBQTASA-N 1 0 311.769 1.724 20 5 DDBDRO CC[C@H]1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000839726120 701799065 /nfs/dbraw/zinc/79/90/65/701799065.db2.gz MQUNQWXRHKLCGR-ARFHVFGLSA-N 1 0 317.389 1.775 20 5 DDBDRO C[C@@]1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCC[N@@H+]1Cc1ccccc1 ZINC000839730271 701801014 /nfs/dbraw/zinc/80/10/14/701801014.db2.gz DTVBFYPHPNCEIB-INMHGKMJSA-N 1 0 317.389 1.823 20 5 DDBDRO C[C@]([NH3+])(C(=O)NC1CCSCC1)c1cccc([N+](=O)[O-])c1 ZINC000867953005 701851341 /nfs/dbraw/zinc/85/13/41/701851341.db2.gz LAAAGXLSZVXCLZ-CQSZACIVSA-N 1 0 309.391 1.781 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(N2CCC([NH+]3CCN(C)CC3)CC2)n1 ZINC000866211966 706650378 /nfs/dbraw/zinc/65/03/78/706650378.db2.gz HGQVBYXNGXUPGS-UHFFFAOYSA-N 1 0 319.409 1.514 20 5 DDBDRO CN(CC[NH+]1CC2(C1)CCOCC2)c1cccnc1[N+](=O)[O-] ZINC000866256215 706658868 /nfs/dbraw/zinc/65/88/68/706658868.db2.gz LVKVMMLTBBXYFO-UHFFFAOYSA-N 1 0 306.366 1.538 20 5 DDBDRO [NH3+]C[C@@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CCO1 ZINC000841233157 702397044 /nfs/dbraw/zinc/39/70/44/702397044.db2.gz MWWPJHXHHAINEQ-MRVPVSSYSA-N 1 0 314.729 1.440 20 5 DDBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCCn1cncn1 ZINC000866318563 706672277 /nfs/dbraw/zinc/67/22/77/706672277.db2.gz BRGZWBOACHKLIN-LLVKDONJSA-N 1 0 307.329 1.936 20 5 DDBDRO O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000818016634 702555062 /nfs/dbraw/zinc/55/50/62/702555062.db2.gz ZVYOPVPOZSOEPK-HNNXBMFYSA-N 1 0 319.317 1.292 20 5 DDBDRO COC(=O)C[C@@](C)([NH2+]CCn1c(C)ncc1[N+](=O)[O-])C1CC1 ZINC000879443305 706681453 /nfs/dbraw/zinc/68/14/53/706681453.db2.gz LYSHQBKICJZEDJ-CQSZACIVSA-N 1 0 310.354 1.421 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)cc1[N+](=O)[O-] ZINC000842517684 702731198 /nfs/dbraw/zinc/73/11/98/702731198.db2.gz NDCRQGRMINSWGL-PHIMTYICSA-N 1 0 320.305 1.103 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]3C[C@@H](CO)C3)CC2)cc1 ZINC000866415587 706693574 /nfs/dbraw/zinc/69/35/74/706693574.db2.gz YZJXDWJDUUASSW-XBXGTLAGSA-N 1 0 305.378 1.924 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CC[C@@H](O)C(F)(F)F)cc1 ZINC000843074189 702814062 /nfs/dbraw/zinc/81/40/62/702814062.db2.gz XYAUCBUYVIMGBF-GHMZBOCLSA-N 1 0 308.256 1.531 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)NCC2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000843305235 702856817 /nfs/dbraw/zinc/85/68/17/702856817.db2.gz VGQRSJDRIWOWLK-UHFFFAOYSA-N 1 0 322.321 1.541 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CC[NH2+][C@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000843473190 702888709 /nfs/dbraw/zinc/88/87/09/702888709.db2.gz IOAHMRQRIDDVGI-NXEZZACHSA-N 1 0 322.321 1.634 20 5 DDBDRO Cc1ccc(-c2noc([C@H](N)CC[NH+](C)C)n2)cc1[N+](=O)[O-] ZINC000844913512 703084228 /nfs/dbraw/zinc/08/42/28/703084228.db2.gz XOCXRNCXLCAFBX-LLVKDONJSA-N 1 0 305.338 1.905 20 5 DDBDRO C[C@@H]1[C@H](COC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC[N@@H+]1C ZINC000845816833 703206092 /nfs/dbraw/zinc/20/60/92/703206092.db2.gz ZOMIHZLHOCTKFT-MNOVXSKESA-N 1 0 310.354 1.410 20 5 DDBDRO O=C(NCC[N@H+]1CC=CCC1)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000831550076 706729774 /nfs/dbraw/zinc/72/97/74/706729774.db2.gz JNXXETJKHKSAAY-AWEZNQCLSA-N 1 0 305.334 1.006 20 5 DDBDRO CN1C[C@H]([N@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCC1=O ZINC000846921253 703352106 /nfs/dbraw/zinc/35/21/06/703352106.db2.gz REWZLMBIIVVDEW-ZIAGYGMSSA-N 1 0 307.350 1.181 20 5 DDBDRO C[N@@H+]1CCCC[C@H]1CCOC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000848786274 703588925 /nfs/dbraw/zinc/58/89/25/703588925.db2.gz KGJBHKUCDWDKDL-JTQLQIEISA-N 1 0 308.338 1.603 20 5 DDBDRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000869786007 703853175 /nfs/dbraw/zinc/85/31/75/703853175.db2.gz NJTMJSVWGAYDJO-ZDUSSCGKSA-N 1 0 321.377 1.099 20 5 DDBDRO Cc1c(C(=O)N[C@H]2CC[N@H+](CC(C)(C)O)C2)cccc1[N+](=O)[O-] ZINC000869785787 703853341 /nfs/dbraw/zinc/85/33/41/703853341.db2.gz FBASJYFUJPJZMA-LBPRGKRZSA-N 1 0 321.377 1.478 20 5 DDBDRO C[C@@H]1CN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C[C@H](C)[NH2+]1 ZINC000818554022 703924177 /nfs/dbraw/zinc/92/41/77/703924177.db2.gz GDHPRIRNSUTTQO-PHIMTYICSA-N 1 0 317.349 1.153 20 5 DDBDRO Cc1cc(F)ccc1[C@@H](O)C[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000819177459 704082047 /nfs/dbraw/zinc/08/20/47/704082047.db2.gz TWCQAHJTYWXWHS-AWEZNQCLSA-N 1 0 308.313 1.562 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCOc2ncccc2F)c1 ZINC000819182433 704082895 /nfs/dbraw/zinc/08/28/95/704082895.db2.gz CKRFYEYEUXHPEC-CQSZACIVSA-N 1 0 321.308 1.831 20 5 DDBDRO CCOC(=O)CC[C@@H](C)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819195233 704084955 /nfs/dbraw/zinc/08/49/55/704084955.db2.gz YQIJYKSVBDHFNR-RISCZKNCSA-N 1 0 310.350 1.950 20 5 DDBDRO CCNC(=O)C1(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCC1 ZINC000819260498 704096294 /nfs/dbraw/zinc/09/62/94/704096294.db2.gz UAKTVDFINGYQJP-CQSZACIVSA-N 1 0 321.377 1.524 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CC2(N3CCOCC3)CC2)cc1 ZINC000819264928 704097250 /nfs/dbraw/zinc/09/72/50/704097250.db2.gz IQJRKLZRIKUJJD-HNNXBMFYSA-N 1 0 321.377 1.083 20 5 DDBDRO C[C@@H](C[C@@H]1CCCC[N@@H+]1C)OC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000870789517 704132472 /nfs/dbraw/zinc/13/24/72/704132472.db2.gz HFZLOLUEBLJUSD-STQMWFEESA-N 1 0 324.381 1.988 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N[C@@]2(C)CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000852930660 704174631 /nfs/dbraw/zinc/17/46/31/704174631.db2.gz MDRNYDUUEHHVJJ-ZDUSSCGKSA-N 1 0 308.294 1.293 20 5 DDBDRO Cc1nn(C)c(C(=O)NC2CCC(C)([NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000871357921 704274325 /nfs/dbraw/zinc/27/43/25/704274325.db2.gz VRXLSLKVMZELGA-UHFFFAOYSA-N 1 0 323.397 1.629 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000820608431 704309909 /nfs/dbraw/zinc/30/99/09/704309909.db2.gz IWWVOGYXLYSTMC-OAHLLOKOSA-N 1 0 321.381 1.044 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)NCCCCC[NH+]1CCCC1 ZINC000820631491 704313094 /nfs/dbraw/zinc/31/30/94/704313094.db2.gz PVSVEGHMGDFOPE-UHFFFAOYSA-N 1 0 323.397 1.482 20 5 DDBDRO C[C@H]([NH3+])CCNC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000857109960 704551741 /nfs/dbraw/zinc/55/17/41/704551741.db2.gz PBEGWJLMWKJKAB-JTQLQIEISA-N 1 0 308.338 1.105 20 5 DDBDRO C[NH2+]C[C@H](C)NC(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857765010 704621982 /nfs/dbraw/zinc/62/19/82/704621982.db2.gz HZXCRTZGUZUKMR-QMMMGPOBSA-N 1 0 303.265 1.291 20 5 DDBDRO C[C@@H]1C[NH2+]CCN1C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857764331 704621992 /nfs/dbraw/zinc/62/19/92/704621992.db2.gz PCXQDJIGVGWEAR-SECBINFHSA-N 1 0 315.276 1.387 20 5 DDBDRO CON(C)C(=O)[C@@H](C)[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000858587651 704731323 /nfs/dbraw/zinc/73/13/23/704731323.db2.gz ULTXVSIZAGNFEY-NWDGAFQWSA-N 1 0 309.366 1.914 20 5 DDBDRO CN1CC[NH+](CC2CN(c3cc(Cl)ccc3[N+](=O)[O-])C2)CC1 ZINC000858612204 704734591 /nfs/dbraw/zinc/73/45/91/704734591.db2.gz ZQIJROPIZAYRBK-UHFFFAOYSA-N 1 0 324.812 1.932 20 5 DDBDRO CC1([NH+]2CCOCC2)CCN(c2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000858764461 704754492 /nfs/dbraw/zinc/75/44/92/704754492.db2.gz RYUSIJBLJFFZSI-UHFFFAOYSA-N 1 0 320.393 1.868 20 5 DDBDRO C[C@@H]1C[NH+](CCCNC(=O)CCC(C)(C)[N+](=O)[O-])C[C@@H](C)O1 ZINC000822314406 704915070 /nfs/dbraw/zinc/91/50/70/704915070.db2.gz UWHPIUFNYFSIGS-CHWSQXEVSA-N 1 0 315.414 1.437 20 5 DDBDRO C[C@@H]([NH3+])CCc1nc(CCNc2ccccc2[N+](=O)[O-])no1 ZINC000822790830 705041134 /nfs/dbraw/zinc/04/11/34/705041134.db2.gz MTIBOUWABSYNAF-SNVBAGLBSA-N 1 0 305.338 1.912 20 5 DDBDRO Cc1nc([N+](=O)[O-])c(-c2noc([C@@H](C(C)C)[C@@H](C)[NH3+])n2)n1C ZINC000823094310 705137205 /nfs/dbraw/zinc/13/72/05/705137205.db2.gz OGRQNGZCDWYFIQ-APPZFPTMSA-N 1 0 308.342 1.774 20 5 DDBDRO C[C@@H](CNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC000825358922 705654558 /nfs/dbraw/zinc/65/45/58/705654558.db2.gz FTTNZKJMKZVTRA-WFASDCNBSA-N 1 0 321.377 1.476 20 5 DDBDRO C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000876680256 705815842 /nfs/dbraw/zinc/81/58/42/705815842.db2.gz BFVSPCQZNNGFNC-WVHFKYGJSA-N 1 0 303.362 1.665 20 5 DDBDRO C[N@@H+]1CC[C@H]2CN(C(=O)c3c(F)cccc3[N+](=O)[O-])CC[C@@H]21 ZINC000827216574 705952183 /nfs/dbraw/zinc/95/21/83/705952183.db2.gz ASGRMCVTMMEIEB-JQWIXIFHSA-N 1 0 307.325 1.900 20 5 DDBDRO C[N@@H+]1CC[C@H]2CN(C(=O)Cc3ccc(F)cc3[N+](=O)[O-])CC[C@H]21 ZINC000827231534 705956395 /nfs/dbraw/zinc/95/63/95/705956395.db2.gz HIHXYACCLVHVAP-GXTWGEPZSA-N 1 0 321.352 1.829 20 5 DDBDRO C[C@H]([NH3+])CN(C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000863565184 705959155 /nfs/dbraw/zinc/95/91/55/705959155.db2.gz BPUNHLXEZCSRJR-QMMMGPOBSA-N 1 0 300.746 1.466 20 5 DDBDRO C[C@@H]([NH3+])CN(C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000863651369 705976586 /nfs/dbraw/zinc/97/65/86/705976586.db2.gz HALGUGCZSRQIBN-LLVKDONJSA-N 1 0 303.366 1.774 20 5 DDBDRO C[C@@H]([NH3+])CN(C)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000877095796 705981427 /nfs/dbraw/zinc/98/14/27/705981427.db2.gz RTDMICYRGJVQGH-LLVKDONJSA-N 1 0 306.366 1.614 20 5 DDBDRO C[C@H]([NH3+])CN(C)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000877097761 705982097 /nfs/dbraw/zinc/98/20/97/705982097.db2.gz JDMJURFOGJMHNZ-ZDUSSCGKSA-N 1 0 323.396 1.960 20 5 DDBDRO CN(C(=O)Cc1cccc(F)c1[N+](=O)[O-])[C@@H]1C[NH+]2CCC1CC2 ZINC000865713685 706503953 /nfs/dbraw/zinc/50/39/53/706503953.db2.gz SSQOQWWSUMISJT-CQSZACIVSA-N 1 0 321.352 1.829 20 5 DDBDRO CN(C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)C1CC[NH2+]CC1 ZINC000832382894 706901448 /nfs/dbraw/zinc/90/14/48/706901448.db2.gz DHZFJZZXIGPODV-UHFFFAOYSA-N 1 0 317.349 1.155 20 5 DDBDRO O=C(Cc1cccc(F)c1[N+](=O)[O-])N1CC[NH+]2CCC1CC2 ZINC000867697094 707077566 /nfs/dbraw/zinc/07/75/66/707077566.db2.gz BCADJDYCSFIXNG-UHFFFAOYSA-N 1 0 307.325 1.583 20 5 DDBDRO COC[C@@H](CO)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872068683 707287019 /nfs/dbraw/zinc/28/70/19/707287019.db2.gz HUQPWHXSZSFIDX-VHSXEESVSA-N 1 0 300.380 1.975 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1-c1nc(N2CC[NH2+]CC2)no1 ZINC000872183616 707318417 /nfs/dbraw/zinc/31/84/17/707318417.db2.gz JZLMEFJWCBWIOD-UHFFFAOYSA-N 1 0 303.322 1.671 20 5 DDBDRO COC[C@H](C)OC[C@@H](O)C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000872230948 707339785 /nfs/dbraw/zinc/33/97/85/707339785.db2.gz ASBARUGRHANRIS-JSGCOSHPSA-N 1 0 312.366 1.405 20 5 DDBDRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000872781505 707597451 /nfs/dbraw/zinc/59/74/51/707597451.db2.gz UQKWXPOCQJOZJA-MNOVXSKESA-N 1 0 302.338 1.310 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H](C)S(C)(=O)=O ZINC000873096094 707728894 /nfs/dbraw/zinc/72/88/94/707728894.db2.gz UOLDXQKFYMGDFR-SNVBAGLBSA-N 1 0 300.380 1.734 20 5 DDBDRO C[N@@H+]1CCC[C@H](CCNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000838147247 707854429 /nfs/dbraw/zinc/85/44/29/707854429.db2.gz BSRMIMDNLFRXCQ-SNVBAGLBSA-N 1 0 324.356 1.778 20 5 DDBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000883182712 707949937 /nfs/dbraw/zinc/94/99/37/707949937.db2.gz JEFHYEAXZUUXRY-CQSZACIVSA-N 1 0 306.366 1.531 20 5 DDBDRO COc1ccc2ncc([N+](=O)[O-])c(N[C@@H](C)C[NH+](C)C)c2c1 ZINC000884509038 708318777 /nfs/dbraw/zinc/31/87/77/708318777.db2.gz VJIIMBCRRURUGD-JTQLQIEISA-N 1 0 304.350 1.936 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@H]2CCOC3(CCOCC3)C2)c1 ZINC000886026258 708683564 /nfs/dbraw/zinc/68/35/64/708683564.db2.gz RTAXLVZWLNSIAP-GFCCVEGCSA-N 1 0 310.354 1.109 20 5 DDBDRO O=[N+]([O-])c1cccnc1N1CC[NH+](C[C@H]2C[C@@]23CCOC3)CC1 ZINC000886239280 708721969 /nfs/dbraw/zinc/72/19/69/708721969.db2.gz SWRKTWJWYWZMHB-CZUORRHYSA-N 1 0 318.377 1.538 20 5 DDBDRO CCC1([NH+]2CCC2)CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000886710902 708819735 /nfs/dbraw/zinc/81/97/35/708819735.db2.gz IVODOENZDNLLIZ-UHFFFAOYSA-N 1 0 307.398 1.742 20 5 DDBDRO CCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@H]1CC[NH2+]C1 ZINC000886858057 708866827 /nfs/dbraw/zinc/86/68/27/708866827.db2.gz KPJRLGFYRARTAC-ZDUSSCGKSA-N 1 0 306.366 1.526 20 5 DDBDRO Cc1c(NC(=O)C[C@@]2(O)CCC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC000899936071 709242839 /nfs/dbraw/zinc/24/28/39/709242839.db2.gz PHZBTSGRNWHWMH-HNNXBMFYSA-N 1 0 307.350 1.689 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912910764 713121724 /nfs/dbraw/zinc/12/17/24/713121724.db2.gz RLVAYQYSSRRQDC-LBPRGKRZSA-N 1 0 305.334 1.524 20 5 DDBDRO CC1(C)CC[N@H+](CCNC(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000890081390 709739367 /nfs/dbraw/zinc/73/93/67/709739367.db2.gz GKALULNQGHILLT-UHFFFAOYSA-N 1 0 305.378 1.985 20 5 DDBDRO C[C@@H](NC(=O)N[C@@H]1C[NH2+]CC[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000892078223 710367433 /nfs/dbraw/zinc/36/74/33/710367433.db2.gz NSMHOZNMTNYHQX-NQBHXWOUSA-N 1 0 306.366 1.953 20 5 DDBDRO Cc1ccc(CNC(=O)N[C@]23CCC[C@H]2[NH2+]CC3)cc1[N+](=O)[O-] ZINC000892536469 710453916 /nfs/dbraw/zinc/45/39/16/710453916.db2.gz DUXJCGUWXYSFTP-ZBFHGGJFSA-N 1 0 318.377 1.987 20 5 DDBDRO COc1cc(C(=O)N[C@]2(C)C[NH+]3CCC2CC3)ccc1[N+](=O)[O-] ZINC000892786257 710498136 /nfs/dbraw/zinc/49/81/36/710498136.db2.gz RRASMCXQPKHHNY-MRXNPFEDSA-N 1 0 319.361 1.818 20 5 DDBDRO C[NH2+]C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SC)C1 ZINC000911775109 710978574 /nfs/dbraw/zinc/97/85/74/710978574.db2.gz QTUPZKYIMKNUNE-SNVBAGLBSA-N 1 0 309.391 1.998 20 5 DDBDRO C[N@@H+]1CC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000928554898 713224339 /nfs/dbraw/zinc/22/43/39/713224339.db2.gz LBUSIIWDRLMKAS-JTQLQIEISA-N 1 0 300.318 1.577 20 5 DDBDRO COc1cc([C@@H](C)[NH2+]CCCn2cncn2)cc([N+](=O)[O-])c1 ZINC000903136366 711044406 /nfs/dbraw/zinc/04/44/06/711044406.db2.gz RVFHONUQBAGMNR-LLVKDONJSA-N 1 0 305.338 1.936 20 5 DDBDRO COc1cc([C@@H](C)[NH2+]C[C@H]2CCCNC2=O)cc([N+](=O)[O-])c1 ZINC000903184472 711058108 /nfs/dbraw/zinc/05/81/08/711058108.db2.gz CJGQZRNOMQEKHF-GHMZBOCLSA-N 1 0 307.350 1.780 20 5 DDBDRO COc1cc([C@@H](C)[NH2+]CCN2CCC(O)CC2)cc([N+](=O)[O-])c1 ZINC000903188126 711058812 /nfs/dbraw/zinc/05/88/12/711058812.db2.gz YXICICNVKGYXOV-GFCCVEGCSA-N 1 0 323.393 1.711 20 5 DDBDRO COC(=O)c1cc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)cs1 ZINC000894343325 711078341 /nfs/dbraw/zinc/07/83/41/711078341.db2.gz BSMKOADQQXNORD-UHFFFAOYSA-N 1 0 310.335 1.429 20 5 DDBDRO CC[N@@H+]1CCN(Cc2ccc(O)c(OC)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000894406204 711106184 /nfs/dbraw/zinc/10/61/84/711106184.db2.gz OFHAQVJXUYSNKC-NSHDSACASA-N 1 0 309.366 1.835 20 5 DDBDRO Cn1nc2c(c1CN(CC[NH3+])c1ccccc1[N+](=O)[O-])CCC2 ZINC000894449308 711125361 /nfs/dbraw/zinc/12/53/61/711125361.db2.gz UDXRBKVRBWHIDJ-UHFFFAOYSA-N 1 0 315.377 1.782 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H]1CC[NH2+]C12CCC2 ZINC000903465941 711135351 /nfs/dbraw/zinc/13/53/51/711135351.db2.gz NSFNJDYANQEDAV-AWEZNQCLSA-N 1 0 318.377 1.716 20 5 DDBDRO C[NH2+]C[C@@H]1CCCCN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000903529464 711172222 /nfs/dbraw/zinc/17/22/22/711172222.db2.gz FAUFUXAQMPCLAS-HNNXBMFYSA-N 1 0 320.393 1.997 20 5 DDBDRO Cn1cc(CN2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)c([N+](=O)[O-])n1 ZINC000903541334 711180102 /nfs/dbraw/zinc/18/01/02/711180102.db2.gz KZFUYALKEJWPLG-DTWKUNHWSA-N 1 0 307.276 1.040 20 5 DDBDRO CC1(C)CN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@H]1[NH3+] ZINC000903556443 711192950 /nfs/dbraw/zinc/19/29/50/711192950.db2.gz ZOFUHZVUBXJREI-UONOGXRCSA-N 1 0 318.377 1.369 20 5 DDBDRO COc1c(O)ccc(C[N@@H+]2CCC[C@@H](CO)[C@@H]2C)c1[N+](=O)[O-] ZINC000894940591 711330234 /nfs/dbraw/zinc/33/02/34/711330234.db2.gz UHQNOCLNVBUOGF-JQWIXIFHSA-N 1 0 310.350 1.902 20 5 DDBDRO O=C1N(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)C[C@H]2CCCCN12 ZINC000895343278 711489878 /nfs/dbraw/zinc/48/98/78/711489878.db2.gz PSYSBIMPCDWZKD-OAHLLOKOSA-N 1 0 318.377 1.975 20 5 DDBDRO COc1c(O)ccc(C[N@@H+]2C[C@@H]3COC[C@]3(C)C2)c1[N+](=O)[O-] ZINC000895386247 711500082 /nfs/dbraw/zinc/50/00/82/711500082.db2.gz PIUCGUBEOSRVSC-ABAIWWIYSA-N 1 0 308.334 1.777 20 5 DDBDRO COC(=O)[C@@]1(O)CC[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000895703736 711582794 /nfs/dbraw/zinc/58/27/94/711582794.db2.gz ONLYQPWFAWEBAX-OQRGYWNNSA-N 1 0 320.345 1.608 20 5 DDBDRO CCOC(=O)Cc1ccc(NC[C@@H]2CC[N@@H+]2C)c([N+](=O)[O-])c1 ZINC000895769263 711601139 /nfs/dbraw/zinc/60/11/39/711601139.db2.gz PPXNQJDCLKOESK-LBPRGKRZSA-N 1 0 307.350 1.816 20 5 DDBDRO COc1c(O)ccc(C[N@@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)c1[N+](=O)[O-] ZINC000896045049 711667966 /nfs/dbraw/zinc/66/79/66/711667966.db2.gz CDMXGIQWFZDIPQ-WCQGTBRESA-N 1 0 308.334 1.512 20 5 DDBDRO C[C@@H](NC(=O)c1ccc(F)cc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCN1C ZINC000896554425 711750051 /nfs/dbraw/zinc/75/00/51/711750051.db2.gz FLPQDDBXTWJUFP-QMTHXVAHSA-N 1 0 324.356 1.098 20 5 DDBDRO CC(C)(C(=O)NC12CC[NH+](CC1)C2)c1ccc([N+](=O)[O-])cc1F ZINC000913633394 713273002 /nfs/dbraw/zinc/27/30/02/713273002.db2.gz UIOYBXZUHOSERA-UHFFFAOYSA-N 1 0 321.352 1.976 20 5 DDBDRO O=[N+]([O-])c1ccc(-c2nc(C(F)(F)F)n3c2C[NH2+]CC3)cn1 ZINC000904799847 711893785 /nfs/dbraw/zinc/89/37/85/711893785.db2.gz SBVKEKWSWPAUON-UHFFFAOYSA-N 1 0 313.239 1.975 20 5 DDBDRO C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000905291941 711995084 /nfs/dbraw/zinc/99/50/84/711995084.db2.gz YAXVWRQDXLQWRV-LDYMZIIASA-N 1 0 315.276 1.291 20 5 DDBDRO C[C@@H]1[C@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CCN1C ZINC000905541423 712071466 /nfs/dbraw/zinc/07/14/66/712071466.db2.gz OTYZJJSNZBDLMG-FRRDWIJNSA-N 1 0 309.366 1.017 20 5 DDBDRO C[C@H](C[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-])S(C)(=O)=O ZINC000905645448 712105443 /nfs/dbraw/zinc/10/54/43/712105443.db2.gz YLTNVURCMPBYSS-GHMZBOCLSA-N 1 0 300.380 1.721 20 5 DDBDRO CC(C)[NH2+]Cc1cn(CCOc2ccc([N+](=O)[O-])cc2)nn1 ZINC000905791357 712147027 /nfs/dbraw/zinc/14/70/27/712147027.db2.gz AEUPQIAKDZLAFF-UHFFFAOYSA-N 1 0 305.338 1.763 20 5 DDBDRO O=C(N1CCC(n2ccc([N+](=O)[O-])n2)CC1)C12CC[NH+](CC1)C2 ZINC000907802677 712628735 /nfs/dbraw/zinc/62/87/35/712628735.db2.gz UCMXVKPWSKIWLV-UHFFFAOYSA-N 1 0 319.365 1.051 20 5 DDBDRO O=[N+]([O-])c1cnn(CN2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000914565367 713397265 /nfs/dbraw/zinc/39/72/65/713397265.db2.gz BJARSCWGCHQLKP-UHFFFAOYSA-N 1 0 315.377 1.609 20 5 DDBDRO CCOc1ccc(NC(=O)C[NH2+][C@@H](CC)CO)c([N+](=O)[O-])c1 ZINC000916570826 713458445 /nfs/dbraw/zinc/45/84/45/713458445.db2.gz WUIIMEPUPINAIV-JTQLQIEISA-N 1 0 311.338 1.293 20 5 DDBDRO O=[N+]([O-])c1ccc(Br)c(CN2CC[C@H](O)C2)c1 ZINC000929520253 713628978 /nfs/dbraw/zinc/62/89/78/713628978.db2.gz LTKNHQKZCSPOLQ-JTQLQIEISA-N 1 0 301.140 1.924 20 5 DDBDRO COC(=O)[C@@]1(NCC[N+](=O)[O-])CCC[N@H+](Cc2ccccc2)C1 ZINC000930151970 713768476 /nfs/dbraw/zinc/76/84/76/713768476.db2.gz LCIZYEGFWABZKM-MRXNPFEDSA-N 1 0 321.377 1.061 20 5 DDBDRO COc1cccc([C@@H]2[C@H]([NH2+]CC[N+](=O)[O-])CCN2C2CC2)c1 ZINC000930353778 713812192 /nfs/dbraw/zinc/81/21/92/713812192.db2.gz KGWLYTVHIBTOOE-HZPDHXFCSA-N 1 0 305.378 1.839 20 5 DDBDRO COc1ccc(NC(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000930770129 713915993 /nfs/dbraw/zinc/91/59/93/713915993.db2.gz VUFUOCDWENYWIM-GXFFZTMASA-N 1 0 320.349 1.771 20 5 DDBDRO Cn1[nH]c(=O)c2c1C[N@H+](CCOc1cccc([N+](=O)[O-])c1)CC2 ZINC000931198701 714032656 /nfs/dbraw/zinc/03/26/56/714032656.db2.gz XEWLSXVCNGMQJG-UHFFFAOYSA-N 1 0 318.333 1.471 20 5 DDBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931281774 714056236 /nfs/dbraw/zinc/05/62/36/714056236.db2.gz XUPQEJXYGACMQC-FJJYHAOUSA-N 1 0 318.377 1.414 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C[C@@H]2C1 ZINC000931434176 714097256 /nfs/dbraw/zinc/09/72/56/714097256.db2.gz OPOVIDIITPFERJ-OCCSQVGLSA-N 1 0 318.377 1.077 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)CN2CC[C@@]3(C2)CCCC[NH2+]3)c1 ZINC000923531117 714392919 /nfs/dbraw/zinc/39/29/19/714392919.db2.gz PEUSBIICCFIRIQ-JKSUJKDBSA-N 1 0 305.378 1.846 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CCOC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC000923889625 714485126 /nfs/dbraw/zinc/48/51/26/714485126.db2.gz AKGGMBOXANOCDW-LBPRGKRZSA-N 1 0 310.354 1.516 20 5 DDBDRO O=[N+]([O-])c1ncccc1C[NH+]1CCC2(CC1)C[C@@H](O)CCO2 ZINC000933052600 714507545 /nfs/dbraw/zinc/50/75/45/714507545.db2.gz IYMPWUWLGUFNJR-ZDUSSCGKSA-N 1 0 307.350 1.496 20 5 DDBDRO C[NH+]1CCC(ONC(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC000935842425 715132155 /nfs/dbraw/zinc/13/21/55/715132155.db2.gz RALFZVGMSBQLBQ-CABCVRRESA-N 1 0 319.361 1.840 20 5 DDBDRO Cc1ccnc(N2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)c1[N+](=O)[O-] ZINC001164928549 721854351 /nfs/dbraw/zinc/85/43/51/721854351.db2.gz OFDFHGNKIGDNSP-KBPBESRZSA-N 1 0 319.409 1.513 20 5 DDBDRO Cc1ncc(C[NH3+])c(=N)n1-c1ccc2nsnc2c1[N+](=O)[O-] ZINC001167675899 735384377 /nfs/dbraw/zinc/38/43/77/735384377.db2.gz SIZZLOHNAJTJIT-UHFFFAOYSA-N 1 0 317.334 1.032 20 5 DDBDRO COc1nc(-n2ccnc2[C@@H]2CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC001167054422 732350967 /nfs/dbraw/zinc/35/09/67/732350967.db2.gz CURUNOXTRULPRA-SNVBAGLBSA-N 1 0 303.322 1.651 20 5 DDBDRO COc1ncnc(-n2ccnc2[C@@H]2CCC[NH2+]C2)c1[N+](=O)[O-] ZINC001167057704 732369668 /nfs/dbraw/zinc/36/96/68/732369668.db2.gz VPNADCWRKRTTHU-SECBINFHSA-N 1 0 304.310 1.046 20 5 DDBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cccc(=O)[nH]1 ZINC001125292691 732430306 /nfs/dbraw/zinc/43/03/06/732430306.db2.gz UFBKKFFMSACLOR-UHFFFAOYSA-N 1 0 316.317 1.215 20 5 DDBDRO [NH3+]CC1(N(Cc2ccccc2)c2ncccc2[N+](=O)[O-])COC1 ZINC001167371419 733314670 /nfs/dbraw/zinc/31/46/70/733314670.db2.gz ZIEDXYCAWAGTTE-UHFFFAOYSA-N 1 0 314.345 1.724 20 5 DDBDRO CC(F)(F)C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001021769432 733531764 /nfs/dbraw/zinc/53/17/64/733531764.db2.gz NLIURIIIFBLUEH-PHIMTYICSA-N 1 0 313.304 1.987 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@@H](NC(=O)C2=CCCC2)C1 ZINC001021959695 733689797 /nfs/dbraw/zinc/68/97/97/733689797.db2.gz LSAKOVJEEBOIMG-TXEJJXNPSA-N 1 0 319.365 1.175 20 5 DDBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)c1cnco1 ZINC001022513651 734576391 /nfs/dbraw/zinc/57/63/91/734576391.db2.gz RZMBETTUGFQCJI-TXEJJXNPSA-N 1 0 316.317 1.633 20 5 DDBDRO CCn1ccnc1C(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001126414288 739960557 /nfs/dbraw/zinc/96/05/57/739960557.db2.gz PSAMPVGKRRAWNU-UHFFFAOYSA-N 1 0 323.378 1.392 20 5 DDBDRO CC(C)[N@H+](C)CC(=O)N(C)CCN(C)c1ccccc1[N+](=O)[O-] ZINC001105415316 741191989 /nfs/dbraw/zinc/19/19/89/741191989.db2.gz NSTPZNOKJYUQNV-UHFFFAOYSA-N 1 0 322.409 1.830 20 5 DDBDRO O=C(NCC[NH2+]Cc1cccc(F)c1Cl)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126936468 742840320 /nfs/dbraw/zinc/84/03/20/742840320.db2.gz JOKKPXUXIRPTEK-MWLCHTKSSA-N 1 0 315.732 1.350 20 5 DDBDRO O=C(NCC[NH2+]CCc1ccccc1Cl)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126939414 742881662 /nfs/dbraw/zinc/88/16/62/742881662.db2.gz XIXLIPVDEAKJBM-DGCLKSJQSA-N 1 0 311.769 1.254 20 5 DDBDRO CC[NH+](CC)CC[C@@H](C)NC(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001181653764 743287145 /nfs/dbraw/zinc/28/71/45/743287145.db2.gz LOTKWPVICCQJJN-SNVBAGLBSA-N 1 0 309.370 1.422 20 5 DDBDRO COc1cc(N[C@@H]2CCCN(C3COC3)C2)cnc1[N+](=O)[O-] ZINC001168373124 743623246 /nfs/dbraw/zinc/62/32/46/743623246.db2.gz QFPCGRPQMLUPLO-SNVBAGLBSA-N 1 0 308.338 1.274 20 5 DDBDRO O=C(CCOCC1CC1)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001127073362 743702965 /nfs/dbraw/zinc/70/29/65/743702965.db2.gz WIKCBLASQCDUTA-UHFFFAOYSA-N 1 0 321.377 1.617 20 5 DDBDRO CCCCOCC[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001195768808 746692160 /nfs/dbraw/zinc/69/21/60/746692160.db2.gz GGPGUGMKAPPGBA-ZIAGYGMSSA-N 1 0 313.398 1.003 20 5 DDBDRO COc1cc(C[NH2+][C@@H](CO)CC(F)F)c([N+](=O)[O-])cc1O ZINC001201972700 748656830 /nfs/dbraw/zinc/65/68/30/748656830.db2.gz UTGHLKWXKFIHJA-MRVPVSSYSA-N 1 0 306.265 1.415 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCCNC(=O)C1CCCC1 ZINC001154086837 749508765 /nfs/dbraw/zinc/50/87/65/749508765.db2.gz JEAUIUHZJUJWHR-UHFFFAOYSA-N 1 0 309.370 1.114 20 5 DDBDRO [NH3+][C@@H]1CCc2nn(-c3ncnc4sc([N+](=O)[O-])cc43)cc2C1 ZINC001168816718 762027318 /nfs/dbraw/zinc/02/73/18/762027318.db2.gz SHEJWRCLWRSMHN-MRVPVSSYSA-N 1 0 316.346 1.601 20 5 DDBDRO COc1cc(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)cc(OC)c1O ZINC001168985019 762152188 /nfs/dbraw/zinc/15/21/88/762152188.db2.gz CAFYUWMWRBTVCN-ZYHUDNBSSA-N 1 0 310.350 1.944 20 5 DDBDRO CS(=O)(=O)c1ccc(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)cc1 ZINC001168967329 762158165 /nfs/dbraw/zinc/15/81/65/762158165.db2.gz OQPLDBCIVCXQQH-QWHCGFSZSA-N 1 0 312.391 1.625 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CC2CCN(c3ncccn3)CC2)C1 ZINC001168990927 762182084 /nfs/dbraw/zinc/18/20/84/762182084.db2.gz FQJFBFUCCKRRCP-CABCVRRESA-N 1 0 319.409 1.728 20 5 DDBDRO COc1ccnc(O[C@@H]2CC[N@@H+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)C2)c1 ZINC001169053570 762208205 /nfs/dbraw/zinc/20/82/05/762208205.db2.gz ITPPFICTYNWZHF-KCQAQPDRSA-N 1 0 321.377 1.989 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@H](N(c2ccncn2)C2CC[NH2+]CC2)C1 ZINC001169053926 762208763 /nfs/dbraw/zinc/20/87/63/762208763.db2.gz KMIRFBZCQKFKIW-OCCSQVGLSA-N 1 0 305.382 1.480 20 5 DDBDRO CCN1CC2(CC1=O)CC[NH+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169057927 762211133 /nfs/dbraw/zinc/21/11/33/762211133.db2.gz ZBQGNUSNYYFZLB-KBPBESRZSA-N 1 0 309.410 1.766 20 5 DDBDRO Cc1cnc(O[C@@H]2CC[N@@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C2)nc1 ZINC001169057626 762211213 /nfs/dbraw/zinc/21/12/13/762211213.db2.gz WKJXUXIZWWHSSM-BFHYXJOUSA-N 1 0 306.366 1.684 20 5 DDBDRO [NH3+][C@@H](CO)Cc1cncn1-c1cc2cccnc2c2ncccc12 ZINC001169074771 762222232 /nfs/dbraw/zinc/22/22/32/762222232.db2.gz NHRGKYHXOSDZNS-CYBMUJFWSA-N 1 0 319.368 1.831 20 5 DDBDRO C[NH+](C)CC(C)(C)CNc1c[n+]([O-])c(Cl)cc1[N+](=O)[O-] ZINC001168762960 753657018 /nfs/dbraw/zinc/65/70/18/753657018.db2.gz BWNDXDODWCRWQY-UHFFFAOYSA-N 1 0 302.762 1.881 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])c(-n2ccc([C@@H](C)[NH3+])n2)cc1OC ZINC001169232270 762293615 /nfs/dbraw/zinc/29/36/15/762293615.db2.gz CFSFHOPSWYUYGD-MRVPVSSYSA-N 1 0 320.305 1.595 20 5 DDBDRO CCC[N@H+](C)CC(=O)N[C@H]1C[C@@H](Nc2ccccc2[N+](=O)[O-])C1 ZINC001097203763 756972897 /nfs/dbraw/zinc/97/28/97/756972897.db2.gz VJPVHACUSTTZKR-BETUJISGSA-N 1 0 320.393 1.996 20 5 DDBDRO Cc1cnc(N[C@H]2C[C@@H](NC(=O)CC[NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC001097252260 757034628 /nfs/dbraw/zinc/03/46/28/757034628.db2.gz TUHHTZFMNLARFT-TXEJJXNPSA-N 1 0 321.381 1.309 20 5 DDBDRO O=C(NCC1CC[NH+](Cc2ccns2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001001399063 762825679 /nfs/dbraw/zinc/82/56/79/762825679.db2.gz IECXPIBXTBRFCC-CHWSQXEVSA-N 1 0 324.406 1.137 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCCNC(=O)CCC1(C)CC1 ZINC001170023214 764082533 /nfs/dbraw/zinc/08/25/33/764082533.db2.gz SMQHWMJWPXXMBS-UHFFFAOYSA-N 1 0 323.397 1.505 20 5 DDBDRO COc1ccc(C[C@H](C)[NH2+]C2CN(C3COC3)C2)c([N+](=O)[O-])c1 ZINC001170327465 766252529 /nfs/dbraw/zinc/25/25/29/766252529.db2.gz RTLGRSLAZSWORU-NSHDSACASA-N 1 0 321.377 1.207 20 5 DDBDRO COc1ccc(C[C@H](C)[NH2+]CCn2cncn2)c([N+](=O)[O-])c1 ZINC001170309210 766259260 /nfs/dbraw/zinc/25/92/60/766259260.db2.gz PIVWPQJCYMDRSN-NSHDSACASA-N 1 0 305.338 1.416 20 5 DDBDRO O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1csnn1 ZINC001131971940 768517793 /nfs/dbraw/zinc/51/77/93/768517793.db2.gz DSJUKTOJHAGADW-UHFFFAOYSA-N 1 0 313.364 1.027 20 5 DDBDRO O=[N+]([O-])c1cc(N[C@H]2C[NH2+]C[C@@H]2CO)ccc1C(F)(F)F ZINC001170776126 771199785 /nfs/dbraw/zinc/19/97/85/771199785.db2.gz ADBLOTCUYIJPQM-XCBNKYQSSA-N 1 0 305.256 1.606 20 5 DDBDRO O=[N+]([O-])c1cnc(N[C@@H]2C[NH2+]C[C@H]2CO)c(C(F)(F)F)c1 ZINC001170780693 771247022 /nfs/dbraw/zinc/24/70/22/771247022.db2.gz OBFJVZOWJKZBCD-IMTBSYHQSA-N 1 0 306.244 1.001 20 5 DDBDRO Cc1c[nH]c(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])n1 ZINC001135054363 771301062 /nfs/dbraw/zinc/30/10/62/771301062.db2.gz DBRDZAPYIBWHFI-UHFFFAOYSA-N 1 0 303.322 1.146 20 5 DDBDRO O=C(NCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1ncccc1F ZINC001135727315 771670456 /nfs/dbraw/zinc/67/04/56/771670456.db2.gz SNOSUYFQOHIIAL-UHFFFAOYSA-N 1 0 318.308 1.649 20 5 DDBDRO CC[C@]([NH3+])(CO)NC(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1 ZINC001159743888 771916293 /nfs/dbraw/zinc/91/62/93/771916293.db2.gz NLEQORNPBLJZAZ-SECBINFHSA-N 1 0 310.688 1.339 20 5 DDBDRO [NH3+]Cc1ccc2cn(-c3ccc([N+](=O)[O-])c4c3CNC4=O)nc2c1 ZINC001171326865 773412122 /nfs/dbraw/zinc/41/21/22/773412122.db2.gz HJGYPLKLTRIAIC-UHFFFAOYSA-N 1 0 323.312 1.636 20 5 DDBDRO Cc1nc(NCCNC(=O)C2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001093700838 775019445 /nfs/dbraw/zinc/01/94/45/775019445.db2.gz JZXHFEVBSHJEDW-UHFFFAOYSA-N 1 0 321.381 1.168 20 5 DDBDRO CCC[N@H+](C)CC(=O)NCCNc1ccc(F)cc1[N+](=O)[O-] ZINC001093787999 775078302 /nfs/dbraw/zinc/07/83/02/775078302.db2.gz RLVKDSOONAWESG-UHFFFAOYSA-N 1 0 312.345 1.604 20 5 DDBDRO CC[N@H+](C)CCC(=O)NCCNc1ncc([N+](=O)[O-])cc1C ZINC001093840022 775124314 /nfs/dbraw/zinc/12/43/14/775124314.db2.gz ANRNZOJYCRRNLR-UHFFFAOYSA-N 1 0 309.370 1.168 20 5 DDBDRO CCN(CCNC(=O)CC[NH+](C)C)c1ccc([N+](=O)[O-])c(C)n1 ZINC001100700712 776450870 /nfs/dbraw/zinc/45/08/70/776450870.db2.gz GTROCMHWIBDZOI-UHFFFAOYSA-N 1 0 323.397 1.192 20 5 DDBDRO O=C1NCCN1CC[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172897164 776913201 /nfs/dbraw/zinc/91/32/01/776913201.db2.gz XSSPFIONKAZHAI-AWEZNQCLSA-N 1 0 318.377 1.457 20 5 DDBDRO O=C1C[C@@H](C[NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CN1 ZINC001172901420 776915712 /nfs/dbraw/zinc/91/57/12/776915712.db2.gz NCLNKTYUAWABHZ-FZMZJTMJSA-N 1 0 303.362 1.568 20 5 DDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCCN1CCOCC1 ZINC001173217336 777049021 /nfs/dbraw/zinc/04/90/21/777049021.db2.gz UCDLJEQEEZDSHN-CQSZACIVSA-N 1 0 307.394 1.838 20 5 DDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@]1(C)CCC(=O)NC1=O ZINC001173218514 777050651 /nfs/dbraw/zinc/05/06/51/777050651.db2.gz KGSOYYMSSVODBU-MEBBXXQBSA-N 1 0 305.334 1.311 20 5 DDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@]1(C)CCS(=O)(=O)C1 ZINC001173219858 777051663 /nfs/dbraw/zinc/05/16/63/777051663.db2.gz PVSIAGPCPUCHRN-BXUZGUMPSA-N 1 0 312.391 1.693 20 5 DDBDRO COC(=O)C[C@@H]1CN([C@H](C)Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC001173235765 777064395 /nfs/dbraw/zinc/06/43/95/777064395.db2.gz ZEAQOWPFZVDGRP-IUODEOHRSA-N 1 0 322.361 1.790 20 5 DDBDRO CC[NH+](CC)CC(=O)N(C)CCNc1ncccc1[N+](=O)[O-] ZINC001101628419 777323424 /nfs/dbraw/zinc/32/34/24/777323424.db2.gz IGPLZEAPFIVGHO-UHFFFAOYSA-N 1 0 309.370 1.202 20 5 DDBDRO C[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)C1CCC1 ZINC001119592596 781529961 /nfs/dbraw/zinc/52/99/61/781529961.db2.gz IDESZZZSYURMAU-UHFFFAOYSA-N 1 0 303.362 1.964 20 5 DDBDRO C[N@H+](CCNC(=O)c1ccncn1)Cc1ccc([N+](=O)[O-])cc1 ZINC001267223850 837558805 /nfs/dbraw/zinc/55/88/05/837558805.db2.gz RMEQBZYXJDYXBW-UHFFFAOYSA-N 1 0 315.333 1.247 20 5 DDBDRO Cc1nc(NC2CC[NH+](C[C@@H]3CCCO3)CC2)ncc1[N+](=O)[O-] ZINC001326492221 861405254 /nfs/dbraw/zinc/40/52/54/861405254.db2.gz NTUWULNPKNFURJ-ZDUSSCGKSA-N 1 0 321.381 1.749 20 5 DDBDRO C[C@@H](C[N+](C)(C)C)OCCc1ccc(S(C)(=O)=O)cc1 ZINC001224318034 844780455 /nfs/dbraw/zinc/78/04/55/844780455.db2.gz PTRWEOABSZFQHW-ZDUSSCGKSA-N 1 0 300.444 1.744 20 5 DDBDRO Cc1c(C)c(N2CCC[C@H](N3CC(C[NH3+])C3)C2)ncc1[N+](=O)[O-] ZINC001155375114 862008833 /nfs/dbraw/zinc/00/88/33/862008833.db2.gz AKLSQHFXWHPEQS-AWEZNQCLSA-N 1 0 319.409 1.466 20 5 DDBDRO [NH3+]CCOCCOCCNc1cc([N+](=O)[O-])cc2cc[nH]c21 ZINC001170507777 850622380 /nfs/dbraw/zinc/62/23/80/850622380.db2.gz LBCOWFSPWWPOGS-UHFFFAOYSA-N 1 0 308.338 1.480 20 5 DDBDRO COc1nc(N[C@@H]2CC[NH2+][C@H]2c2ccccc2)ncc1[N+](=O)[O-] ZINC001155550237 862217709 /nfs/dbraw/zinc/21/77/09/862217709.db2.gz RTTQOLBRYOFRHR-YPMHNXCESA-N 1 0 315.333 1.909 20 5 DDBDRO CCOC(=O)c1ccnc(N[C@H]2CC[C@@H]3C[NH2+]C[C@@H]32)c1[N+](=O)[O-] ZINC001155587988 862259254 /nfs/dbraw/zinc/25/92/54/862259254.db2.gz KISACKNEINBWHG-USWWRNFRSA-N 1 0 320.349 1.576 20 5 DDBDRO O=[N+]([O-])c1cc(Cl)cc(N[C@H]2CCO[C@]3(CC[NH2+]C3)C2)n1 ZINC001155616396 862294409 /nfs/dbraw/zinc/29/44/09/862294409.db2.gz CXXINJUXMKGXPF-GXFFZTMASA-N 1 0 312.757 1.966 20 5 DDBDRO O=[N+]([O-])c1cnc(N[C@@H]2CCO[C@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC001155618551 862296248 /nfs/dbraw/zinc/29/62/48/862296248.db2.gz MPVLRVZGPBQALL-NOZJJQNGSA-N 1 0 323.309 1.221 20 5 DDBDRO Cc1c(C)c(N[C@@H]2CCO[C@]3(CC[NH2+]C3)C2)ncc1[N+](=O)[O-] ZINC001155624368 862309090 /nfs/dbraw/zinc/30/90/90/862309090.db2.gz WDBCQAFRUDLZNF-IUODEOHRSA-N 1 0 306.366 1.930 20 5 DDBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N[C@H]1CCCC[C@@]12C[NH2+]CCO2 ZINC001155826573 862481759 /nfs/dbraw/zinc/48/17/59/862481759.db2.gz MOVVVMZDWMLQDD-DZGCQCFKSA-N 1 0 322.365 1.250 20 5 DDBDRO [NH3+]CCN(CCO)c1nc2ccccc2c(Cl)c1[N+](=O)[O-] ZINC001155949490 862588276 /nfs/dbraw/zinc/58/82/76/862588276.db2.gz NLAWTFSNBKWYMT-UHFFFAOYSA-N 1 0 310.741 1.554 20 5 DDBDRO [NH3+]C[C@@H]1C[C@@H]1C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC001121965011 858647745 /nfs/dbraw/zinc/64/77/45/858647745.db2.gz FSBXJJWCBYGDQW-NHYWBVRUSA-N 1 0 319.361 1.559 20 5 DDBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001122306115 858745927 /nfs/dbraw/zinc/74/59/27/858745927.db2.gz PAMLVBXQKSIIQM-NWDGAFQWSA-N 1 0 321.402 1.755 20 5 DDBDRO CCOC(=O)C1(C(=O)OCC)CC(OCCC[N+](C)(C)C)C1 ZINC001224623144 881475618 /nfs/dbraw/zinc/47/56/18/881475618.db2.gz LOQDFBNBOFULRI-UHFFFAOYSA-N 1 0 316.418 1.374 20 5 DDBDRO CC(C)CCC(=O)NCCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001154454759 861116755 /nfs/dbraw/zinc/11/67/55/861116755.db2.gz VUFCESXTVGSZIY-UHFFFAOYSA-N 1 0 311.386 1.360 20 5 DDBDRO C[NH2+]C[C@@H](C)CNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C ZINC001328570420 863075830 /nfs/dbraw/zinc/07/58/30/863075830.db2.gz RDTTYRIQDQYRKG-SECBINFHSA-N 1 0 315.395 1.345 20 5 DDBDRO CC[N@@H+]1C[C@@H](NC(=O)CCn2cc([N+](=O)[O-])nc2C)C(C)(C)C1 ZINC001156827422 863372623 /nfs/dbraw/zinc/37/26/23/863372623.db2.gz DNYXBSOALJLGHD-GFCCVEGCSA-N 1 0 323.397 1.336 20 5 DDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC001329299698 863585838 /nfs/dbraw/zinc/58/58/38/863585838.db2.gz MZFBVFSLMTZHSW-MNOVXSKESA-N 1 0 306.366 1.754 20 5 DDBDRO [NH3+]Cc1cnn(C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)c1 ZINC001157471361 863844078 /nfs/dbraw/zinc/84/40/78/863844078.db2.gz DHZAGTWUELJBRL-UHFFFAOYSA-N 1 0 303.656 1.896 20 5 DDBDRO COc1nc(C)c([N+](=O)[O-])c(N[C@H]2CCCC[C@@H]2[NH+](C)C)n1 ZINC001157797108 864151827 /nfs/dbraw/zinc/15/18/27/864151827.db2.gz LSVUPBZLGOHWHV-QWRGUYRKSA-N 1 0 309.370 1.987 20 5 DDBDRO CN1CCN(C(=[NH2+])Nc2ccc3ccc([N+](=O)[O-])cc3n2)CC1 ZINC001157914834 864253443 /nfs/dbraw/zinc/25/34/43/864253443.db2.gz MOKSUSAAVRWVGR-UHFFFAOYSA-N 1 0 314.349 1.737 20 5 DDBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCOCCCO ZINC001330354983 864267028 /nfs/dbraw/zinc/26/70/28/864267028.db2.gz UTHBVZZGGGJBCM-LLVKDONJSA-N 1 0 300.330 1.654 20 5 DDBDRO C[C@H](NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)C1=CC[N@H+](C)CC1 ZINC001154042475 864352412 /nfs/dbraw/zinc/35/24/12/864352412.db2.gz ISWWEGZOYGYSBU-VIFPVBQESA-N 1 0 306.322 1.076 20 5 DDBDRO COC(=O)c1ccnc(N(C(C)C)[C@@H]2CC[NH2+]C2)c1[N+](=O)[O-] ZINC001158024774 864365615 /nfs/dbraw/zinc/36/56/15/864365615.db2.gz BMOMOEGEUHIZRK-SNVBAGLBSA-N 1 0 308.338 1.353 20 5 DDBDRO [NH3+]C[C@]1(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CCCOC1 ZINC001330609625 864484453 /nfs/dbraw/zinc/48/44/53/864484453.db2.gz KECJAQZKBVLTLE-MRXNPFEDSA-N 1 0 319.361 1.235 20 5 DDBDRO Cc1ccc(NC(=O)C[C@]2(O)CCC[N@@H+](C)C2)c(N)c1[N+](=O)[O-] ZINC001158231532 864503048 /nfs/dbraw/zinc/50/30/48/864503048.db2.gz IKTDZMVLONNRGD-OAHLLOKOSA-N 1 0 322.365 1.271 20 5 DDBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC(N2CC[C@H]([NH3+])C2)CC1 ZINC001158259183 864521606 /nfs/dbraw/zinc/52/16/06/864521606.db2.gz OULIFPOYCCDTEO-LBPRGKRZSA-N 1 0 305.382 1.300 20 5 DDBDRO Cc1cc([N+](=O)[O-])cnc1N1CCO[C@@H](C[NH+]2CCCC2)C1 ZINC001158305853 864561570 /nfs/dbraw/zinc/56/15/70/864561570.db2.gz SLWYAXZPTCQPDS-AWEZNQCLSA-N 1 0 306.366 1.599 20 5 DDBDRO [NH3+]Cc1cnnn1-c1nc(C(F)(F)F)nc(Cl)c1[N+](=O)[O-] ZINC001158428059 864648476 /nfs/dbraw/zinc/64/84/76/864648476.db2.gz NQOZQSXQSRNTKM-UHFFFAOYSA-N 1 0 323.622 1.096 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N1CC[N@H+](C(C)C)[C@@H](C)C1 ZINC001158493745 864688308 /nfs/dbraw/zinc/68/83/08/864688308.db2.gz JFBPVLQZSLCLKT-NSHDSACASA-N 1 0 322.365 1.695 20 5 DDBDRO C[C@H](C[NH3+])C(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC001330961184 864739743 /nfs/dbraw/zinc/73/97/43/864739743.db2.gz PJKWBCDUPXYELN-SSDOTTSWSA-N 1 0 316.155 1.568 20 5 DDBDRO [NH3+][C@H]1CN(c2ccc3ccc([N+](=O)[O-])cc3n2)CC12COC2 ZINC001158761618 864885844 /nfs/dbraw/zinc/88/58/44/864885844.db2.gz DLHAAVUKKWEXDX-ZDUSSCGKSA-N 1 0 300.318 1.307 20 5 DDBDRO O=[N+]([O-])c1cc(NC[C@@H]2COCC[NH2+]2)c2ncnc(Cl)c2c1 ZINC001159047920 865076927 /nfs/dbraw/zinc/07/69/27/865076927.db2.gz VQXSLNYLWGQDEF-MRVPVSSYSA-N 1 0 323.740 1.592 20 5 DDBDRO O=[N+]([O-])c1ccc2nc(Cl)nc(N[C@@H]3C[NH2+]C[C@H]3CO)c2c1 ZINC001159672110 865460010 /nfs/dbraw/zinc/46/00/10/865460010.db2.gz MSDCRNXBPIZAMG-WRWORJQWSA-N 1 0 323.740 1.184 20 5 DDBDRO CC[C@]([NH3+])(CO)Nc1ncnc2cc(OC)c([N+](=O)[O-])cc21 ZINC001159743764 865497679 /nfs/dbraw/zinc/49/76/79/865497679.db2.gz LSONRFXOSIZGTM-CYBMUJFWSA-N 1 0 307.310 1.016 20 5 DDBDRO C[C@H]1CN(c2ncc([N+](=O)[O-])c(N)n2)CC[N@@H+]1C1CCCC1 ZINC001332008375 865497875 /nfs/dbraw/zinc/49/78/75/865497875.db2.gz ZGBBYJDSBPJNHQ-JTQLQIEISA-N 1 0 306.370 1.420 20 5 DDBDRO C[NH2+][C@H](C)CCNC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC001332398917 865814278 /nfs/dbraw/zinc/81/42/78/865814278.db2.gz CDTHALROYDOJNA-SECBINFHSA-N 1 0 309.322 1.109 20 5 DDBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001160477828 865873974 /nfs/dbraw/zinc/87/39/74/865873974.db2.gz SIFDWLMXZIGQSI-QMMMGPOBSA-N 1 0 317.777 1.822 20 5 DDBDRO Nc1cc(N[C@@H]2CC[NH2+]C[C@H]2C(F)(F)F)ncc1[N+](=O)[O-] ZINC001160738843 866087339 /nfs/dbraw/zinc/08/73/39/866087339.db2.gz KVOWUJQMTTZNLZ-HTRCEHHLSA-N 1 0 305.260 1.524 20 5 DDBDRO CCOC(=O)/C=C\C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC001333035488 866358371 /nfs/dbraw/zinc/35/83/71/866358371.db2.gz CCPDZGNWCFAUBL-ARJAWSKDSA-N 1 0 308.338 1.548 20 5 DDBDRO CC(=O)c1cc(Cl)ccc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001225743817 882006602 /nfs/dbraw/zinc/00/66/02/882006602.db2.gz UOXFQVFOVDWGIB-GFCCVEGCSA-N 1 0 314.789 1.905 20 5 DDBDRO COc1cc([N+](=O)[O-])cnc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC001333710523 866955753 /nfs/dbraw/zinc/95/57/53/866955753.db2.gz LHTNYPBFYRVNIE-WCQYABFASA-N 1 0 306.366 1.919 20 5 DDBDRO Cc1cccnc1CNc1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-] ZINC001161883600 867069012 /nfs/dbraw/zinc/06/90/12/867069012.db2.gz QEQVCAKGBIMZAE-UHFFFAOYSA-N 1 0 300.322 1.387 20 5 DDBDRO COC(=O)c1ccc(C[NH3+])n1-c1ncc([N+](=O)[O-])c(C)c1C ZINC001161934282 867112793 /nfs/dbraw/zinc/11/27/93/867112793.db2.gz MUKDYGOILKPXOO-UHFFFAOYSA-N 1 0 304.306 1.643 20 5 DDBDRO Cc1ccc(CNC(=O)NCC2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC001334215265 867390140 /nfs/dbraw/zinc/39/01/40/867390140.db2.gz YFINXAXPSTYBPK-UHFFFAOYSA-N 1 0 306.366 1.702 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@]2(C)CCC[N@H+](C)C2)n1 ZINC001162338564 867469250 /nfs/dbraw/zinc/46/92/50/867469250.db2.gz BWBOMHLQUINSNY-AWEZNQCLSA-N 1 0 308.338 1.673 20 5 DDBDRO COC(=O)c1c(C)c([N+](=O)[O-])ccc1NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC001162481176 867564439 /nfs/dbraw/zinc/56/44/39/867564439.db2.gz KXGUIDKELHTEGT-UWVGGRQHSA-N 1 0 311.313 1.802 20 5 DDBDRO O=[N+]([O-])c1c(Cl)nc(Cl)nc1N[C@@H]1C=C[C@H]2C[NH2+]C[C@H]21 ZINC001162795404 867827873 /nfs/dbraw/zinc/82/78/73/867827873.db2.gz VSOGBJOUZJALPS-RRKCRQDMSA-N 1 0 316.148 1.878 20 5 DDBDRO CCc1n[nH]c(C(=O)N2CCC([NH+](CC)CC)CC2)c1[N+](=O)[O-] ZINC001322006269 867930048 /nfs/dbraw/zinc/93/00/48/867930048.db2.gz DSTDEOVVQRYTSR-UHFFFAOYSA-N 1 0 323.397 1.827 20 5 DDBDRO Cc1c(NCc2nnn3c2C[NH2+]CCC3)cc(F)cc1[N+](=O)[O-] ZINC001162972423 867961948 /nfs/dbraw/zinc/96/19/48/867961948.db2.gz URJOYUVUBBQJKY-UHFFFAOYSA-N 1 0 320.328 1.739 20 5 DDBDRO O=[N+]([O-])c1c(F)cc(F)cc1NCc1nnc2n1CCC[NH2+]C2 ZINC001163017696 868004139 /nfs/dbraw/zinc/00/41/39/868004139.db2.gz RFZYUHGFHMZLPM-UHFFFAOYSA-N 1 0 324.291 1.570 20 5 DDBDRO CC[NH+](CC)C1CCN(C(=O)Cn2c(C)ncc2[N+](=O)[O-])CC1 ZINC001335117307 868076173 /nfs/dbraw/zinc/07/61/73/868076173.db2.gz MNPKJSBAIYMJDL-UHFFFAOYSA-N 1 0 323.397 1.433 20 5 DDBDRO CN(C)c1ccc(NC[C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)c([N+](=O)[O-])c1 ZINC001163106298 868104489 /nfs/dbraw/zinc/10/44/89/868104489.db2.gz ZCQZINAHZIHLIQ-IXPVHAAZSA-N 1 0 306.366 1.307 20 5 DDBDRO CNc1cc([N+](=O)[O-])cnc1N[C@@H]1CCO[C@@]2(CC[NH2+]C2)C1 ZINC001163310064 868335619 /nfs/dbraw/zinc/33/56/19/868335619.db2.gz JTNTVAQYERDSCA-YGRLFVJLSA-N 1 0 307.354 1.355 20 5 DDBDRO Cc1nnc(C[NH3+])n1-c1nc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001163348688 868383624 /nfs/dbraw/zinc/38/36/24/868383624.db2.gz NEZILTONPUPUIA-UHFFFAOYSA-N 1 0 303.109 1.644 20 5 DDBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC001226061700 882184227 /nfs/dbraw/zinc/18/42/27/882184227.db2.gz LKLXNDWQIGPHAZ-JTQLQIEISA-N 1 0 317.387 1.472 20 5 DDBDRO CCOC(=O)c1cn(-c2ncc([N+](=O)[O-])cc2C)nc1C[NH3+] ZINC001163521878 868502383 /nfs/dbraw/zinc/50/23/83/868502383.db2.gz URZLUXDTIGHGEX-UHFFFAOYSA-N 1 0 305.294 1.119 20 5 DDBDRO CNc1ccc(CNc2ncnc(C3C[NH2+]C3)c2[N+](=O)[O-])cc1 ZINC001164152216 868976042 /nfs/dbraw/zinc/97/60/42/868976042.db2.gz GLJGMZWWEJPVES-UHFFFAOYSA-N 1 0 314.349 1.725 20 5 DDBDRO C[C@@]1(F)CCN(c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)C[C@@H]1F ZINC001164337605 869133962 /nfs/dbraw/zinc/13/39/62/869133962.db2.gz GCXXZQUKLNSJCV-GXFFZTMASA-N 1 0 313.308 1.348 20 5 DDBDRO O=C1CSC(=O)N1Cc1cccc(C[NH2+]CC[N+](=O)[O-])c1 ZINC001336811784 869160221 /nfs/dbraw/zinc/16/02/21/869160221.db2.gz VFBNPJYNDBAWTL-UHFFFAOYSA-N 1 0 309.347 1.248 20 5 DDBDRO COc1c(O)ccc(CN2CC[C@H]3C[N@H+](C)C[C@@H]32)c1[N+](=O)[O-] ZINC001336813278 869160426 /nfs/dbraw/zinc/16/04/26/869160426.db2.gz PMLCHDQIIZKRHG-JQWIXIFHSA-N 1 0 307.350 1.445 20 5 DDBDRO O=C1NCCC12CC[NH+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC001336840568 869177294 /nfs/dbraw/zinc/17/72/94/869177294.db2.gz CZAULEOPWAVVQH-CQSZACIVSA-N 1 0 319.361 1.230 20 5 DDBDRO O=[N+]([O-])c1cnc(N2CC(F)(F)C[C@H]2CF)nc1C1C[NH2+]C1 ZINC001164532908 869265749 /nfs/dbraw/zinc/26/57/49/869265749.db2.gz LGJBFTJAOWZIOB-QMMMGPOBSA-N 1 0 317.271 1.255 20 5 DDBDRO Cc1nc(N2CC[NH2+][C@H](Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC001164628227 869333772 /nfs/dbraw/zinc/33/37/72/869333772.db2.gz ZEDNQSQZOMHSQW-CQSZACIVSA-N 1 0 313.361 1.714 20 5 DDBDRO COC(=O)c1ccnc(N2C[C@@H]3C[C@]3(C[NH+](C)C)C2)c1[N+](=O)[O-] ZINC001165183660 869418605 /nfs/dbraw/zinc/41/86/05/869418605.db2.gz JFGDYEYEBFBHQY-BONVTDFDSA-N 1 0 320.349 1.164 20 5 DDBDRO Cc1c(C)c(N2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001165291455 869500839 /nfs/dbraw/zinc/50/08/39/869500839.db2.gz DDFFETVEWUQAQK-TZMCWYRMSA-N 1 0 306.366 1.421 20 5 DDBDRO C[N@@H+]1CCC[C@H](CCNc2ccc([N+](=O)[O-])c3c2CNC3=O)C1 ZINC001165301154 869508621 /nfs/dbraw/zinc/50/86/21/869508621.db2.gz YKJOQVYWOOJFJB-LLVKDONJSA-N 1 0 318.377 1.982 20 5 DDBDRO CCOC(=O)c1ccnc(N2CC[C@H]3C[C@@]3([NH3+])C2)c1[N+](=O)[O-] ZINC001165330461 869521762 /nfs/dbraw/zinc/52/17/62/869521762.db2.gz ZFBXJMPBEZXECC-LKFCYVNXSA-N 1 0 306.322 1.094 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)CN(C[C@@H]1C[C@@]3(CC[NH2+]C3)CO1)C2 ZINC001337823816 869644417 /nfs/dbraw/zinc/64/44/17/869644417.db2.gz FAXIKXRJJSBIHJ-JKSUJKDBSA-N 1 0 303.362 1.679 20 5 DDBDRO CCOC(=O)c1ccnc(N[C@@H]2C[NH+]3CCC2CC3)c1[N+](=O)[O-] ZINC001338049286 869766749 /nfs/dbraw/zinc/76/67/49/869766749.db2.gz UBUIPALTRUQNOU-GFCCVEGCSA-N 1 0 320.349 1.673 20 5 DDBDRO Cc1nn(C)c(N2C[C@]34C[N@H+](C)C[C@@]3(C2)CCCC4)c1[N+](=O)[O-] ZINC001338200992 869866480 /nfs/dbraw/zinc/86/64/80/869866480.db2.gz OWOZLWJEXFISMT-IYBDPMFKSA-N 1 0 319.409 1.949 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@H](O)c2cccnc2)c1 ZINC001338420241 869970713 /nfs/dbraw/zinc/97/07/13/869970713.db2.gz WGTKGVHXYLKCLY-CABCVRRESA-N 1 0 303.318 1.346 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@@H]2CC23CCOCC3)c1 ZINC001338518469 870025728 /nfs/dbraw/zinc/02/57/28/870025728.db2.gz JFMRGWKFRRPTBB-DZGCQCFKSA-N 1 0 322.361 1.493 20 5 DDBDRO N=c1nc([C@H]2CCC[NH2+]2)ccn1-c1ncc(F)cc1[N+](=O)[O-] ZINC001166700133 870166188 /nfs/dbraw/zinc/16/61/88/870166188.db2.gz HSMNMJCODYEFTM-SECBINFHSA-N 1 0 304.285 1.219 20 5 DDBDRO N=c1sc2c(n1-c1cc([N+](=O)[O-])cc(Cl)n1)CC[NH2+]C2 ZINC001166860470 870327655 /nfs/dbraw/zinc/32/76/55/870327655.db2.gz YNTLKJJXJQNRQQ-UHFFFAOYSA-N 1 0 311.754 1.621 20 5 DDBDRO COc1cc(N2CCC([C@H]3CCC[NH2+]3)CC2)ncc1[N+](=O)[O-] ZINC001166902218 870354270 /nfs/dbraw/zinc/35/42/70/870354270.db2.gz AQRUCICIXXTVSE-GFCCVEGCSA-N 1 0 306.366 1.967 20 5 DDBDRO [NH3+][C@H]1CCN(c2c([N+](=O)[O-])cc[n+]([O-])c2Cl)CC1(F)F ZINC001166958641 870420554 /nfs/dbraw/zinc/42/05/54/870420554.db2.gz GUINDLZRHLWUPE-ZETCQYMHSA-N 1 0 308.672 1.054 20 5 DDBDRO O=C(Cc1ccccc1[N+](=O)[O-])NCC[C@H]1CSCC[NH2+]1 ZINC001340381476 871069407 /nfs/dbraw/zinc/06/94/07/871069407.db2.gz LLKPLILDBUSKJD-LBPRGKRZSA-N 1 0 309.391 1.349 20 5 DDBDRO O=C(c1ccccc1[N+](=O)[O-])N1CC([NH2+]C2CCOCC2)C1 ZINC001303645031 871146714 /nfs/dbraw/zinc/14/67/14/871146714.db2.gz AFFUGHFIMCEHJR-UHFFFAOYSA-N 1 0 305.334 1.188 20 5 DDBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1[NH2+]CC12CCCC2 ZINC001340530140 871176531 /nfs/dbraw/zinc/17/65/31/871176531.db2.gz MIHRFFTYYRHNGN-AWEZNQCLSA-N 1 0 319.361 1.622 20 5 DDBDRO [NH3+]C1(CNC(=O)c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC001341303448 871598193 /nfs/dbraw/zinc/59/81/93/871598193.db2.gz QVAQAFLRWILPDA-UHFFFAOYSA-N 1 0 314.139 1.578 20 5 DDBDRO COC[C@@]1(C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)CCCC[NH2+]1 ZINC001341741968 871800059 /nfs/dbraw/zinc/80/00/59/871800059.db2.gz WICZNGDCHHJNMJ-BLLLJJGKSA-N 1 0 321.377 1.931 20 5 DDBDRO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC001318507010 872120330 /nfs/dbraw/zinc/12/03/30/872120330.db2.gz KZVYGFQRCJWWLD-STQMWFEESA-N 1 0 309.370 1.170 20 5 DDBDRO CCN(C(=O)c1ccc(NC)c([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]C1 ZINC001342934526 872444048 /nfs/dbraw/zinc/44/40/48/872444048.db2.gz NWJREPQWMJFCTP-GFCCVEGCSA-N 1 0 306.366 1.851 20 5 DDBDRO C[C@H](CNC(=O)C[C@H]1COCC[NH2+]1)c1ccccc1[N+](=O)[O-] ZINC001345324612 873354286 /nfs/dbraw/zinc/35/42/86/873354286.db2.gz LRNZDYFPGDDXFG-NEPJUHHUSA-N 1 0 307.350 1.193 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)OCc1ccc2nsnc2c1 ZINC001210134102 875239360 /nfs/dbraw/zinc/23/93/60/875239360.db2.gz TXIVOMIXIUXXDY-LLVKDONJSA-N 1 0 310.399 1.192 20 5 DDBDRO CNc1nccc(C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC001349784649 875366479 /nfs/dbraw/zinc/36/64/79/875366479.db2.gz LENVALQPGXSWMK-LLVKDONJSA-N 1 0 319.365 1.342 20 5 DDBDRO O=[N+]([O-])C[C@@H](OC[C@@H]1CCC[NH2+]C1)c1ccc2c(c1)OCO2 ZINC001217912228 877353286 /nfs/dbraw/zinc/35/32/86/877353286.db2.gz HSVIZFGJGJESEY-IAQYHMDHSA-N 1 0 308.334 1.749 20 5 DDBDRO C[C@@H](CNC(=O)[C@@H]([NH3+])CC(F)F)c1ccccc1[N+](=O)[O-] ZINC001358389398 880417764 /nfs/dbraw/zinc/41/77/64/880417764.db2.gz VSLFPWPKQLSJPU-WPRPVWTQSA-N 1 0 301.293 1.797 20 5 DDBDRO O=[N+]([O-])c1cncnc1OC1CCN(c2cc[nH+]cc2)CC1 ZINC001228654978 883598747 /nfs/dbraw/zinc/59/87/47/883598747.db2.gz OEBNJYWKPILLKK-UHFFFAOYSA-N 1 0 301.306 1.828 20 5 DDBDRO COC(=O)c1c(C)cccc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001228732003 883644707 /nfs/dbraw/zinc/64/47/07/883644707.db2.gz VPURMRMRNZGBHJ-GFCCVEGCSA-N 1 0 310.370 1.144 20 5 DDBDRO Cc1cccc2ncnc(OC(=O)C[C@@H](O)C[N+](C)(C)C)c12 ZINC001229392950 883957679 /nfs/dbraw/zinc/95/76/79/883957679.db2.gz CNRHZELAZWAUFI-GFCCVEGCSA-N 1 0 304.370 1.301 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1nc2ccc(F)nc2s1 ZINC001230005222 884270810 /nfs/dbraw/zinc/27/08/10/884270810.db2.gz WSJSZDVWNQQWPO-MRVPVSSYSA-N 1 0 314.362 1.193 20 5 DDBDRO COC(=O)c1ccc(O[C@H]2C[NH+]3CCC2CC3)cc1[N+](=O)[O-] ZINC001234050880 887593291 /nfs/dbraw/zinc/59/32/91/887593291.db2.gz MFBOMEBTVXLALX-AWEZNQCLSA-N 1 0 306.318 1.854 20 5 DDBDRO COc1ccc(C[C@H](C)N[C@@H]2C[NH2+]CC[C@H]2F)c([N+](=O)[O-])c1 ZINC001246492359 892656485 /nfs/dbraw/zinc/65/64/85/892656485.db2.gz WGXGAKGSDZTTHE-ZLKJLUDKSA-N 1 0 311.357 1.824 20 5 DDBDRO C[C@]1([NH3+])CCN(C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001246528684 892679131 /nfs/dbraw/zinc/67/91/31/892679131.db2.gz BJEARNJHESLAMQ-INIZCTEOSA-N 1 0 304.394 1.987 20 5 DDBDRO CC1(C[NH3+])CN(C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001246600290 892725395 /nfs/dbraw/zinc/72/53/95/892725395.db2.gz SCNWCVXORCOVNO-UHFFFAOYSA-N 1 0 304.394 1.844 20 5 DDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CCNC[C@@]12CC[NH2+]C2 ZINC001246620927 892743505 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1.515 20 5 DDBDRO C[NH+](C)CCn1nnnc1SCc1ccc([N+](=O)[O-])cc1 ZINC000337955155 282115875 /nfs/dbraw/zinc/11/58/75/282115875.db2.gz KEHVOFRFFFFQLQ-UHFFFAOYSA-N 1 0 308.367 1.435 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1C[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000305324154 231000275 /nfs/dbraw/zinc/00/02/75/231000275.db2.gz OSIFBKQNRGCPKW-OAHLLOKOSA-N 1 0 316.361 1.519 20 5 DDBDRO C[C@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)CS(C)(=O)=O ZINC000451105247 231010634 /nfs/dbraw/zinc/01/06/34/231010634.db2.gz LWJBFQCKWVKZOC-MNOVXSKESA-N 1 0 300.380 1.926 20 5 DDBDRO C[C@@H]1CN(CCc2ccc([N+](=O)[O-])cc2)C[C@H](C)[N@H+]1CCO ZINC000451650479 231151100 /nfs/dbraw/zinc/15/11/00/231151100.db2.gz FEVVNWUZCPTPFU-OKILXGFUSA-N 1 0 307.394 1.524 20 5 DDBDRO CCc1n[nH]c(C(=O)NCC[C@H]2CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000458157497 529467479 /nfs/dbraw/zinc/46/74/79/529467479.db2.gz CMMWQCHQDRZRMZ-SNVBAGLBSA-N 1 0 309.370 1.342 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[NH2+]CC1(C)C ZINC000088139393 185240735 /nfs/dbraw/zinc/24/07/35/185240735.db2.gz KHLJWUCUQSWGJZ-UHFFFAOYSA-N 1 0 313.379 1.276 20 5 DDBDRO CC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1cnn(C)c1 ZINC000090524541 185300307 /nfs/dbraw/zinc/30/03/07/185300307.db2.gz OCXYRDNNUPRQJR-UHFFFAOYSA-N 1 0 305.338 1.012 20 5 DDBDRO CC1(C)CN(C/C=C/c2ccccc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000615140542 362170466 /nfs/dbraw/zinc/17/04/66/362170466.db2.gz VUUORYIRWNUDOA-FNORWQNLSA-N 1 0 319.405 1.997 20 5 DDBDRO C[N@@H+]1CCN(CCNc2ncc([N+](=O)[O-])cc2F)CC1(C)C ZINC000413289441 529772371 /nfs/dbraw/zinc/77/23/71/529772371.db2.gz YBEXXTCAUCLCOY-UHFFFAOYSA-N 1 0 311.361 1.567 20 5 DDBDRO C[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(O)c1 ZINC000181580247 199322263 /nfs/dbraw/zinc/32/22/63/199322263.db2.gz BIXWRIRFRARFLP-HZMBPMFUSA-N 1 0 306.322 1.209 20 5 DDBDRO CCOC1CC([N@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000286721960 219130172 /nfs/dbraw/zinc/13/01/72/219130172.db2.gz GIBLGZJIRVTOHA-MOKVOYLWSA-N 1 0 324.377 1.834 20 5 DDBDRO COc1ccc(C(=O)N2CCC[C@H]3C[NH2+]C[C@H]32)cc1[N+](=O)[O-] ZINC000318313285 282405663 /nfs/dbraw/zinc/40/56/63/282405663.db2.gz VBFMJXNJOYUKHS-WCQYABFASA-N 1 0 305.334 1.427 20 5 DDBDRO C[NH2+]C[C@H]1CCCN1C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000161241135 290782677 /nfs/dbraw/zinc/78/26/77/290782677.db2.gz SZBVBDFHGYQFHJ-VUDGCMKMSA-N 1 0 307.325 1.958 20 5 DDBDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)c2[nH]ncc2[N+](=O)[O-])C1 ZINC000138208772 186014885 /nfs/dbraw/zinc/01/48/85/186014885.db2.gz KZAPWKHISZXBMY-PHIMTYICSA-N 1 0 323.397 1.804 20 5 DDBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](C)CN(C)C ZINC000287096378 219311198 /nfs/dbraw/zinc/31/11/98/219311198.db2.gz PUHUPJQZHLMTSS-RYUDHWBXSA-N 1 0 308.382 1.852 20 5 DDBDRO COc1ccc(OCC[NH2+]C(C)(C)CN(C)C)c([N+](=O)[O-])c1 ZINC000459548551 233303471 /nfs/dbraw/zinc/30/34/71/233303471.db2.gz MAIJTBDDUFIESV-UHFFFAOYSA-N 1 0 311.382 1.912 20 5 DDBDRO Cc1nn(C)c(C(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)c1[N+](=O)[O-] ZINC000287136205 219336644 /nfs/dbraw/zinc/33/66/44/219336644.db2.gz MZVULMCHDULCAI-VXGBXAGGSA-N 1 0 321.381 1.336 20 5 DDBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000285923633 186573665 /nfs/dbraw/zinc/57/36/65/186573665.db2.gz FBLDNOZTYGSUEU-WQGACYEGSA-N 1 0 320.393 1.534 20 5 DDBDRO C[C@H](C[NH2+]CCCCc1ccc([N+](=O)[O-])cc1)S(C)(=O)=O ZINC000564854562 304019408 /nfs/dbraw/zinc/01/94/08/304019408.db2.gz NFIJFIPFKRGUKJ-GFCCVEGCSA-N 1 0 314.407 1.940 20 5 DDBDRO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@H](OCCO)C2)cc1 ZINC000172301745 198074806 /nfs/dbraw/zinc/07/48/06/198074806.db2.gz MQRJJVOQAJXYIA-HNNXBMFYSA-N 1 0 310.350 1.447 20 5 DDBDRO COCC[N@H+](C)CCCNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000031096398 352261877 /nfs/dbraw/zinc/26/18/77/352261877.db2.gz WASBJUOYLJSVRR-UHFFFAOYSA-N 1 0 310.354 1.685 20 5 DDBDRO CCN1CC[NH+](CCCCNC(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000042595301 352344295 /nfs/dbraw/zinc/34/42/95/352344295.db2.gz LGFLJLRHGIQVRA-UHFFFAOYSA-N 1 0 324.381 1.335 20 5 DDBDRO CC[NH+](CC)CCNC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000045544852 352414637 /nfs/dbraw/zinc/41/46/37/352414637.db2.gz IKIZGXNGAYHIAG-UHFFFAOYSA-N 1 0 323.397 1.648 20 5 DDBDRO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cc([N+](=O)[O-])c[nH]1 ZINC000052894359 352631709 /nfs/dbraw/zinc/63/17/09/352631709.db2.gz JNBHHLDVVKIRHJ-CYBMUJFWSA-N 1 0 314.345 1.927 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1N1CC[NH+](CCc2cccs2)CC1 ZINC000057141378 352800551 /nfs/dbraw/zinc/80/05/51/352800551.db2.gz HQDSTDXGMQSXRO-UHFFFAOYSA-N 1 0 321.406 1.755 20 5 DDBDRO Cc1ccccc1C[NH+]1CCN(c2c([N+](=O)[O-])ncn2C)CC1 ZINC000058304065 352842154 /nfs/dbraw/zinc/84/21/54/352842154.db2.gz JNCZHQFGUYDTJJ-UHFFFAOYSA-N 1 0 315.377 1.959 20 5 DDBDRO Cc1cccc(C(=O)Nc2cnn(CC[NH+](C)C)c2)c1[N+](=O)[O-] ZINC000061636059 352891983 /nfs/dbraw/zinc/89/19/83/352891983.db2.gz DOGUNSRWEWVDJJ-UHFFFAOYSA-N 1 0 317.349 1.914 20 5 DDBDRO C[NH+](C)Cc1ccc(NC(=O)CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000065775956 352962110 /nfs/dbraw/zinc/96/21/10/352962110.db2.gz DDUJFXOOLSANJU-UHFFFAOYSA-N 1 0 317.349 1.882 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]Cc2ccc(Cl)s2)c1 ZINC000071308411 353192158 /nfs/dbraw/zinc/19/21/58/353192158.db2.gz UBVXKSFOIULNPW-VIFPVBQESA-N 1 0 316.770 1.657 20 5 DDBDRO C[NH+](C)C1(CNC(=O)c2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000073131881 353239557 /nfs/dbraw/zinc/23/95/57/353239557.db2.gz CRPLNJNGGCRSJR-UHFFFAOYSA-N 1 0 307.350 1.435 20 5 DDBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000174472890 198338374 /nfs/dbraw/zinc/33/83/74/198338374.db2.gz KRWWZHFRJFUCDZ-NSHDSACASA-N 1 0 306.366 1.591 20 5 DDBDRO CCC1(O)CC[NH+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000075859136 353383123 /nfs/dbraw/zinc/38/31/23/353383123.db2.gz RUQJBQMIXAZFMF-AWEZNQCLSA-N 1 0 324.377 1.571 20 5 DDBDRO C[NH+](C)[C@@H](CNc1ncc([N+](=O)[O-])c(N)n1)c1ccc(F)cc1 ZINC000076871430 353442055 /nfs/dbraw/zinc/44/20/55/353442055.db2.gz RYXNXXOMUUEDLG-NSHDSACASA-N 1 0 320.328 1.821 20 5 DDBDRO C[NH+](C)[C@H](CNc1ncc([N+](=O)[O-])c(N)n1)c1ccsc1 ZINC000076651409 353431032 /nfs/dbraw/zinc/43/10/32/353431032.db2.gz ATNRXSMXGLOMHP-SECBINFHSA-N 1 0 308.367 1.743 20 5 DDBDRO COCC[C@H](C)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000088525808 353756377 /nfs/dbraw/zinc/75/63/77/353756377.db2.gz HYHOJYOSNFINAM-ZDUSSCGKSA-N 1 0 321.377 1.778 20 5 DDBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000092612370 353863327 /nfs/dbraw/zinc/86/33/27/353863327.db2.gz CGFSSRDJVYMUJC-CYBMUJFWSA-N 1 0 320.393 1.988 20 5 DDBDRO [NH3+]C1(CO)CCN(c2ccc([N+](=O)[O-])c3cccnc32)CC1 ZINC000092654472 353865603 /nfs/dbraw/zinc/86/56/03/353865603.db2.gz MSJDVVFPWFLWGF-UHFFFAOYSA-N 1 0 302.334 1.433 20 5 DDBDRO CCOCC[N@H+](C)CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000093311631 353894469 /nfs/dbraw/zinc/89/44/69/353894469.db2.gz YANAUEPNHVEDLT-UHFFFAOYSA-N 1 0 323.349 1.861 20 5 DDBDRO CC[NH+](CC)CC1CCN(Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000355799257 291011666 /nfs/dbraw/zinc/01/16/66/291011666.db2.gz YICMGCZVAYFNGE-UHFFFAOYSA-N 1 0 309.414 1.882 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCCC1CC[NH+](C)CC1 ZINC000156449534 354219523 /nfs/dbraw/zinc/21/95/23/354219523.db2.gz QEXPUCBIXSZCIU-UHFFFAOYSA-N 1 0 323.397 1.338 20 5 DDBDRO CN1CC[N@H+](C)C[C@H]1CNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000320457842 354527191 /nfs/dbraw/zinc/52/71/91/354527191.db2.gz OTZUZJYNXFUXPE-GFCCVEGCSA-N 1 0 315.377 1.801 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCOC2CCCCC2)c1 ZINC000315533045 354494901 /nfs/dbraw/zinc/49/49/01/354494901.db2.gz KWVCSKYKWUQJTI-ZDUSSCGKSA-N 1 0 312.370 1.091 20 5 DDBDRO CN(C(=O)Cc1ccc([N+](=O)[O-])cc1F)[C@@H]1C[NH+]2CCC1CC2 ZINC000357251965 291033319 /nfs/dbraw/zinc/03/33/19/291033319.db2.gz DPRZCIHXXBTBMQ-OAHLLOKOSA-N 1 0 321.352 1.829 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000319990583 354523829 /nfs/dbraw/zinc/52/38/29/354523829.db2.gz AEWBVOBGLPSXRO-RKDXNWHRSA-N 1 0 317.367 1.008 20 5 DDBDRO O=C(NC[C@H]1CCC[NH2+]C1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000584715514 354750937 /nfs/dbraw/zinc/75/09/37/354750937.db2.gz RNDPFHMPZWMWLQ-VIFPVBQESA-N 1 0 307.306 1.053 20 5 DDBDRO COC[C@]1(CNC(=O)c2cc([N+](=O)[O-])ccc2OC)CCC[NH2+]1 ZINC000357272586 291042090 /nfs/dbraw/zinc/04/20/90/291042090.db2.gz NAJWMGLRXVIWDW-OAHLLOKOSA-N 1 0 323.349 1.102 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[NH+](C(C)C)CC2)c1 ZINC000589494537 354995817 /nfs/dbraw/zinc/99/58/17/354995817.db2.gz XLRYJLKZLYHPQI-UHFFFAOYSA-N 1 0 321.377 1.907 20 5 DDBDRO C[N@H+]1C[C@H]2[C@@H](CCN2Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000590010679 355040821 /nfs/dbraw/zinc/04/08/21/355040821.db2.gz OSRDJTJXTLYSJK-NHYWBVRUSA-N 1 0 319.361 1.597 20 5 DDBDRO Cc1n[nH]c(C(=O)N2CCC3(C2)CC[NH+](C)CC3)c1[N+](=O)[O-] ZINC000590376017 355078380 /nfs/dbraw/zinc/07/83/80/355078380.db2.gz SIBLNAFOBZTMLP-UHFFFAOYSA-N 1 0 307.354 1.184 20 5 DDBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000590590221 355122464 /nfs/dbraw/zinc/12/24/64/355122464.db2.gz WHCUEBOGGLBGOD-MNOVXSKESA-N 1 0 313.379 1.308 20 5 DDBDRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000590402674 355085767 /nfs/dbraw/zinc/08/57/67/355085767.db2.gz GOVXEUBSJQMBKX-GXTWGEPZSA-N 1 0 320.393 1.948 20 5 DDBDRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000590443370 355097647 /nfs/dbraw/zinc/09/76/47/355097647.db2.gz IMZHFRHEEDPNJG-FZMZJTMJSA-N 1 0 305.334 1.136 20 5 DDBDRO COc1cc(C[NH2+][C@H]2CC[C@@H](CO)CC2)c([N+](=O)[O-])cc1O ZINC000590646812 355137914 /nfs/dbraw/zinc/13/79/14/355137914.db2.gz VKVWMRBCUCTPGB-KLPPZKSPSA-N 1 0 310.350 1.950 20 5 DDBDRO C[C@@H](Cc1cnccn1)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000590778090 355176495 /nfs/dbraw/zinc/17/64/95/355176495.db2.gz JHRJITMVZLLVOA-LBPRGKRZSA-N 1 0 302.334 1.984 20 5 DDBDRO Cn1cc([N+](=O)[O-])c(C(=O)N2CCC[N@H+](CC3CCC3)CC2)n1 ZINC000591079645 355244798 /nfs/dbraw/zinc/24/47/98/355244798.db2.gz RMQFGIRPQMLVHH-UHFFFAOYSA-N 1 0 321.381 1.276 20 5 DDBDRO Cc1ccc(NC(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000591270354 355274453 /nfs/dbraw/zinc/27/44/53/355274453.db2.gz YQTONNWPYROUPH-MFKMUULPSA-N 1 0 308.338 1.483 20 5 DDBDRO Cc1c(CNC(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)cccc1[N+](=O)[O-] ZINC000591357071 355298975 /nfs/dbraw/zinc/29/89/75/355298975.db2.gz WLZITCJXHIRUJF-RISCZKNCSA-N 1 0 322.365 1.161 20 5 DDBDRO C[C@@H]([NH3+])CNC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000591361117 355301514 /nfs/dbraw/zinc/30/15/14/355301514.db2.gz DGBKVKIPIFTFFP-LLVKDONJSA-N 1 0 322.365 1.495 20 5 DDBDRO C[C@H]([NH3+])CNC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000591361369 355301919 /nfs/dbraw/zinc/30/19/19/355301919.db2.gz XLKYOOIFEUBCJD-AAEUAGOBSA-N 1 0 306.366 1.831 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000591439036 355311061 /nfs/dbraw/zinc/31/10/61/355311061.db2.gz QWIFWNMFCVRFID-WCQYABFASA-N 1 0 319.361 1.878 20 5 DDBDRO C[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CCCCO1 ZINC000591759269 355378700 /nfs/dbraw/zinc/37/87/00/355378700.db2.gz YOENJRLHGQOGNJ-BJJXKVORSA-N 1 0 324.377 1.882 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N(C2CC2)[C@H]2CC[NH2+]C2)c1 ZINC000591681458 355361171 /nfs/dbraw/zinc/36/11/71/355361171.db2.gz LVAPBYZQSLBAOM-NSHDSACASA-N 1 0 305.334 1.570 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC(C)([NH3+])CC1 ZINC000592379013 355570211 /nfs/dbraw/zinc/57/02/11/355570211.db2.gz JVRUIWNPTARCLP-UHFFFAOYSA-N 1 0 313.379 1.405 20 5 DDBDRO C[C@@H]1[C@H](C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)CC[N@@H+]1C ZINC000592794709 355694646 /nfs/dbraw/zinc/69/46/46/355694646.db2.gz LYLBRRBIDHJOBN-DGCLKSJQSA-N 1 0 321.381 1.295 20 5 DDBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000593050989 355780687 /nfs/dbraw/zinc/78/06/87/355780687.db2.gz JWJANWDZOIGRFT-CYBMUJFWSA-N 1 0 320.393 1.362 20 5 DDBDRO CCO[C@@H]1CN(C(=O)c2ccc(CC)c([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000593916986 356058708 /nfs/dbraw/zinc/05/87/08/356058708.db2.gz SUTZCXOHXXWAJN-UKRRQHHQSA-N 1 0 321.377 1.593 20 5 DDBDRO CNc1ccc(C(=O)N[C@H](C[NH3+])C(F)(F)F)cc1[N+](=O)[O-] ZINC000594450975 356221777 /nfs/dbraw/zinc/22/17/77/356221777.db2.gz AKKKVJYHOOTNAI-SECBINFHSA-N 1 0 306.244 1.256 20 5 DDBDRO C[C@H](C(=O)N(C)CCc1cccc([N+](=O)[O-])c1)[NH+]1CC(C)C1 ZINC000594356293 356181220 /nfs/dbraw/zinc/18/12/20/356181220.db2.gz WUFOJKRPMSNCCJ-CYBMUJFWSA-N 1 0 305.378 1.936 20 5 DDBDRO O=[N+]([O-])c1cccc(C[NH2+]C2CCN([C@H]3CCOC3)CC2)c1 ZINC000594494139 356237250 /nfs/dbraw/zinc/23/72/50/356237250.db2.gz UXTSHWZWUMVWFW-INIZCTEOSA-N 1 0 305.378 1.938 20 5 DDBDRO Cn1nnc2c1CC[C@@H]([NH2+][C@H]1CCc3c1cccc3[N+](=O)[O-])C2 ZINC000594510650 356240781 /nfs/dbraw/zinc/24/07/81/356240781.db2.gz AFCBBHJVCRYQJP-MFKMUULPSA-N 1 0 313.361 1.858 20 5 DDBDRO C[C@@H]([NH2+][C@@H]1CCc2c(nnn2C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000594519950 356241753 /nfs/dbraw/zinc/24/17/53/356241753.db2.gz HLQFJHPYORUUJZ-ZYHUDNBSSA-N 1 0 301.350 1.931 20 5 DDBDRO COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000594919353 356354103 /nfs/dbraw/zinc/35/41/03/356354103.db2.gz YIAJGQDGBQSXRD-YUSALJHKSA-N 1 0 308.334 1.891 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@]1(O)CC[N@H+](C)C1 ZINC000595032292 356374325 /nfs/dbraw/zinc/37/43/25/356374325.db2.gz MCVGCLPUDOIYEC-IAQYHMDHSA-N 1 0 309.366 1.321 20 5 DDBDRO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000595224420 356411337 /nfs/dbraw/zinc/41/13/37/356411337.db2.gz GFXODUBAJSJORQ-BXUZGUMPSA-N 1 0 306.366 1.917 20 5 DDBDRO COC[C@@H](C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1)OC ZINC000595289039 356435423 /nfs/dbraw/zinc/43/54/23/356435423.db2.gz CHKBQQCHWPTULG-OAHLLOKOSA-N 1 0 309.366 1.378 20 5 DDBDRO Cc1ccc([C@H](C)[NH2+]CCN2C(=O)CN(C)C2=O)cc1[N+](=O)[O-] ZINC000595418999 356485738 /nfs/dbraw/zinc/48/57/38/356485738.db2.gz HSENMTMZHLWKDO-NSHDSACASA-N 1 0 320.349 1.448 20 5 DDBDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000177584754 198748658 /nfs/dbraw/zinc/74/86/58/198748658.db2.gz FBANVWHJCYUWRR-VXGBXAGGSA-N 1 0 309.370 1.170 20 5 DDBDRO CN(CC1C[NH+](C)C1)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000595503175 356521496 /nfs/dbraw/zinc/52/14/96/356521496.db2.gz XXPBRNUUUDYFAY-UHFFFAOYSA-N 1 0 322.365 1.177 20 5 DDBDRO COc1cc(C[N@@H+]2CC[C@H]3NC(=O)CC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000595728783 356625009 /nfs/dbraw/zinc/62/50/09/356625009.db2.gz OWHMWUFJAAJYAS-QWHCGFSZSA-N 1 0 319.361 1.704 20 5 DDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@H]2COC[C@]2(C)C1 ZINC000595755461 356637086 /nfs/dbraw/zinc/63/70/86/356637086.db2.gz ARLLWCNSJQONHQ-WQGACYEGSA-N 1 0 319.361 1.890 20 5 DDBDRO CC[C@H](C)[C@@H]([NH3+])C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000237053730 202135907 /nfs/dbraw/zinc/13/59/07/202135907.db2.gz HKXHRHCSKSTUEC-MISXGVKJSA-N 1 0 321.381 1.376 20 5 DDBDRO CN(CCOc1ccc([N+](=O)[O-])cc1)[C@@H](C[NH3+])C(F)(F)F ZINC000595909231 356701580 /nfs/dbraw/zinc/70/15/80/356701580.db2.gz QSKOWMWMKYHKAE-NSHDSACASA-N 1 0 307.272 1.795 20 5 DDBDRO CCN1CC[NH+](C[C@H](C)CNc2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596081380 356765901 /nfs/dbraw/zinc/76/59/01/356765901.db2.gz HJJBZXJHDXABDO-GFCCVEGCSA-N 1 0 323.397 1.381 20 5 DDBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC000596146670 356791323 /nfs/dbraw/zinc/79/13/23/356791323.db2.gz GVQHFHOUTSFLNJ-LBPRGKRZSA-N 1 0 306.366 1.864 20 5 DDBDRO C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)C[N@@H+]1C1CC1 ZINC000596155925 356794401 /nfs/dbraw/zinc/79/44/01/356794401.db2.gz LMIOSNNLWHJNBY-GXSJLCMTSA-N 1 0 304.350 1.731 20 5 DDBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596232918 356826166 /nfs/dbraw/zinc/82/61/66/356826166.db2.gz UCLKDFINMJJDFD-YPMHNXCESA-N 1 0 318.377 1.757 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3CCCOCC3)CC2)cn1 ZINC000596269404 356838991 /nfs/dbraw/zinc/83/89/91/356838991.db2.gz SZGRULDMJWGVRM-UHFFFAOYSA-N 1 0 306.366 1.681 20 5 DDBDRO COc1cc(C(=O)N2CCC[C@H](C[NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000237239150 202199868 /nfs/dbraw/zinc/19/98/68/202199868.db2.gz SBIYCNRBIQQZTN-SNVBAGLBSA-N 1 0 323.349 1.423 20 5 DDBDRO C[NH2+]Cc1cccc(NC(=O)Cn2cc([N+](=O)[O-])nc2C)c1 ZINC000237221452 202194295 /nfs/dbraw/zinc/19/42/95/202194295.db2.gz YYBRMNOTRHXDGT-UHFFFAOYSA-N 1 0 303.322 1.458 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000596498481 356898518 /nfs/dbraw/zinc/89/85/18/356898518.db2.gz CYPMLVZSTXXNQM-ZDUSSCGKSA-N 1 0 320.393 1.785 20 5 DDBDRO COc1cccc(C(=O)N2CC[C@@H]([NH+](C)C)[C@@H]2C)c1[N+](=O)[O-] ZINC000597696098 357289280 /nfs/dbraw/zinc/28/92/80/357289280.db2.gz BKTOYEYSUOOUGS-CMPLNLGQSA-N 1 0 307.350 1.768 20 5 DDBDRO O=C(Cn1ccc([N+](=O)[O-])n1)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000598217749 357496276 /nfs/dbraw/zinc/49/62/76/357496276.db2.gz AVWDLINCQGLZPI-GFCCVEGCSA-N 1 0 321.381 1.315 20 5 DDBDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000598262853 357513390 /nfs/dbraw/zinc/51/33/90/357513390.db2.gz MTXVPMGEIUAXMJ-LBPRGKRZSA-N 1 0 309.370 1.028 20 5 DDBDRO CCC[N@@H+]1CC[C@H](NC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000598341616 357544334 /nfs/dbraw/zinc/54/43/34/357544334.db2.gz DSGPGXBNXHXYGR-ZDUSSCGKSA-N 1 0 323.397 1.399 20 5 DDBDRO [NH3+][C@]12CCC[C@@H]1CN(C(=O)COc1cccc([N+](=O)[O-])c1)C2 ZINC000598669983 357679152 /nfs/dbraw/zinc/67/91/52/357679152.db2.gz PDYGIIXMCYOUTQ-ABAIWWIYSA-N 1 0 305.334 1.313 20 5 DDBDRO CNc1c(C(=O)N2CC[NH2+][C@H](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000598573760 357637361 /nfs/dbraw/zinc/63/73/61/357637361.db2.gz OFYUEBBTSIDQKV-LBPRGKRZSA-N 1 0 306.366 1.707 20 5 DDBDRO CC[C@@H]([NH3+])CNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C ZINC000598714702 357700883 /nfs/dbraw/zinc/70/08/83/357700883.db2.gz IWQJAQVBYQIIOP-SNVBAGLBSA-N 1 0 301.368 1.227 20 5 DDBDRO C[C@@H](CCCC[NH3+])NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598913849 357756931 /nfs/dbraw/zinc/75/69/31/357756931.db2.gz PTZJUSLILLHWNG-JTQLQIEISA-N 1 0 308.338 1.167 20 5 DDBDRO C[N@@H+]1CCCC[C@@H](CNc2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000599137647 357827087 /nfs/dbraw/zinc/82/70/87/357827087.db2.gz ARXAVVKTIVUCLD-JTQLQIEISA-N 1 0 307.354 1.233 20 5 DDBDRO COCCC1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000599505945 357958525 /nfs/dbraw/zinc/95/85/25/357958525.db2.gz FIFVNQKQUJWWMX-UHFFFAOYSA-N 1 0 309.366 1.505 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[N@H+]2CC3(CCOCC3)CC[C@@H]2CO)c1 ZINC000599544293 357967795 /nfs/dbraw/zinc/96/77/95/357967795.db2.gz ZKAOVJMAYWXBGC-CYBMUJFWSA-N 1 0 324.381 1.045 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NCC1([NH3+])CCOCC1 ZINC000599603364 357990163 /nfs/dbraw/zinc/99/01/63/357990163.db2.gz DMEGXNLRSWUQIR-UHFFFAOYSA-N 1 0 324.337 1.233 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@H]1COCC[NH2+]1 ZINC000599606242 357990835 /nfs/dbraw/zinc/99/08/35/357990835.db2.gz MYAGAOXAAPSPHQ-NSHDSACASA-N 1 0 308.338 1.322 20 5 DDBDRO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000599625013 357997069 /nfs/dbraw/zinc/99/70/69/357997069.db2.gz KVOYVURSXYISDY-KGBXLTSLSA-N 1 0 324.377 1.736 20 5 DDBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000180006546 199105469 /nfs/dbraw/zinc/10/54/69/199105469.db2.gz JKGBWKCROZKPNB-NSHDSACASA-N 1 0 321.333 1.538 20 5 DDBDRO O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000600229419 358163303 /nfs/dbraw/zinc/16/33/03/358163303.db2.gz SCSQJYGMXOXABN-CYBMUJFWSA-N 1 0 321.381 1.315 20 5 DDBDRO C[N@@H+]1CCCC[C@H](CNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000600316297 358195280 /nfs/dbraw/zinc/19/52/80/358195280.db2.gz ZEGKZKQJOWBFFO-SNVBAGLBSA-N 1 0 308.338 1.157 20 5 DDBDRO CC[C@H]([NH3+])CNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000565539317 304075041 /nfs/dbraw/zinc/07/50/41/304075041.db2.gz UJTNVTWICYEUGJ-QMMMGPOBSA-N 1 0 304.306 1.316 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CC[C@H]1CCCOC1 ZINC000600743629 358304387 /nfs/dbraw/zinc/30/43/87/358304387.db2.gz KJQZHTQWRQTVRW-KGLIPLIRSA-N 1 0 324.377 1.741 20 5 DDBDRO COCC[NH2+]CCc1cn(Cc2ccc([N+](=O)[O-])cc2)nn1 ZINC000600970760 358363525 /nfs/dbraw/zinc/36/35/25/358363525.db2.gz NYWCRPWUJKAYGF-UHFFFAOYSA-N 1 0 305.338 1.013 20 5 DDBDRO CS[C@@H]1CN(c2ncc(F)cc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000601136258 358417129 /nfs/dbraw/zinc/41/71/29/358417129.db2.gz YWXZNAYOZWAOOT-WDEREUQCSA-N 1 0 300.359 1.611 20 5 DDBDRO CN1CC[C@H]([NH+]2CCC(Nc3cccnc3[N+](=O)[O-])CC2)C1=O ZINC000601177245 358435186 /nfs/dbraw/zinc/43/51/86/358435186.db2.gz RVBXWNSULIKPHB-ZDUSSCGKSA-N 1 0 319.365 1.097 20 5 DDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000601554904 358599139 /nfs/dbraw/zinc/59/91/39/358599139.db2.gz AVPICYKOMSFZFL-DZGCQCFKSA-N 1 0 303.362 1.738 20 5 DDBDRO CCC1([NH+]2CCCC2)CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC000601743548 358675598 /nfs/dbraw/zinc/67/55/98/358675598.db2.gz AIBZCKWJBNHPPW-UHFFFAOYSA-N 1 0 321.381 1.799 20 5 DDBDRO C[NH+](C)[C@H]1C[C@@H](NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1(C)C ZINC000602169710 358861038 /nfs/dbraw/zinc/86/10/38/358861038.db2.gz GYQVHBALIIDALL-NEPJUHHUSA-N 1 0 323.397 1.371 20 5 DDBDRO Cc1c(CC(=O)N2CC[NH2+]C[C@H]2C(C)C)cccc1[N+](=O)[O-] ZINC000602527709 359027682 /nfs/dbraw/zinc/02/76/82/359027682.db2.gz KGQUDYILZFXGSW-HNNXBMFYSA-N 1 0 305.378 1.902 20 5 DDBDRO O=[N+]([O-])c1ccc(CC[NH2+]CC2CCS(=O)(=O)CC2)cc1 ZINC000602545871 359037467 /nfs/dbraw/zinc/03/74/67/359037467.db2.gz RBNRHSXECIBKPD-UHFFFAOYSA-N 1 0 312.391 1.552 20 5 DDBDRO CC(C)[C@@H](CO)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602563658 359046530 /nfs/dbraw/zinc/04/65/30/359046530.db2.gz FTXALTDTCVHPQL-CQSZACIVSA-N 1 0 308.382 1.565 20 5 DDBDRO CC(=O)N1CCC[C@H](C[NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000602638175 359091503 /nfs/dbraw/zinc/09/15/03/359091503.db2.gz LVTBRGQXGRMYSH-OAHLLOKOSA-N 1 0 305.378 1.985 20 5 DDBDRO CC(C)(CN(CC[NH3+])c1ccccc1[N+](=O)[O-])N1CCOCC1 ZINC000602659536 359106474 /nfs/dbraw/zinc/10/64/74/359106474.db2.gz PCUHJJBIXXQMIA-UHFFFAOYSA-N 1 0 322.409 1.471 20 5 DDBDRO CO[C@@H](C)[C@@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602665431 359112050 /nfs/dbraw/zinc/11/20/50/359112050.db2.gz BOBBTNWLYWOMRR-NEPJUHHUSA-N 1 0 308.382 1.972 20 5 DDBDRO C[C@H](CO)CCC[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602580623 359054056 /nfs/dbraw/zinc/05/40/56/359054056.db2.gz XRWKZWIPGUCACM-ZDUSSCGKSA-N 1 0 322.409 1.957 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CCN1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000602784243 359189408 /nfs/dbraw/zinc/18/94/08/359189408.db2.gz RHYUXCCVFNBEGB-OAHLLOKOSA-N 1 0 321.425 1.763 20 5 DDBDRO COCCOC[C@@H]1CC[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602787574 359191795 /nfs/dbraw/zinc/19/17/95/359191795.db2.gz ZOTXGDGPARUUSI-CYBMUJFWSA-N 1 0 312.370 1.085 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](C(C)C)C1(CO)CCC1 ZINC000602832785 359225109 /nfs/dbraw/zinc/22/51/09/359225109.db2.gz RGGZEGSNTHFHAN-CQSZACIVSA-N 1 0 310.398 1.877 20 5 DDBDRO C[C@@H]1COCC[N@@H+]1C1CCN(Cc2cn(C)nc2[N+](=O)[O-])CC1 ZINC000602838858 359228925 /nfs/dbraw/zinc/22/89/25/359228925.db2.gz UHSAMPADSVZPNW-GFCCVEGCSA-N 1 0 323.397 1.013 20 5 DDBDRO Cn1cc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)c([N+](=O)[O-])n1 ZINC000602822351 359217193 /nfs/dbraw/zinc/21/71/93/359217193.db2.gz RUFPZLWNHUPWMO-XQQFMLRXSA-N 1 0 306.366 1.766 20 5 DDBDRO CO[C@@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])[C@@](C)(CO)C1 ZINC000602963637 359326909 /nfs/dbraw/zinc/32/69/09/359326909.db2.gz HPSSJNDNLGQSAH-SWLSCSKDSA-N 1 0 310.350 1.445 20 5 DDBDRO O=[N+]([O-])c1cccc(F)c1Cn1cc(C[C@@H]2CC[NH2+]C2)nn1 ZINC000603204796 359478824 /nfs/dbraw/zinc/47/88/24/359478824.db2.gz ZLNQXRQAQREJKM-JTQLQIEISA-N 1 0 305.313 1.526 20 5 DDBDRO Cc1c(Cn2cc(C[C@H]3CC[NH2+]C3)nn2)cccc1[N+](=O)[O-] ZINC000603199688 359474820 /nfs/dbraw/zinc/47/48/20/359474820.db2.gz SGIZLQDCQAKTIE-GFCCVEGCSA-N 1 0 301.350 1.695 20 5 DDBDRO O=[N+]([O-])c1cnn(CCn2cc(CC[NH+]3CCCCC3)nn2)c1 ZINC000603226571 359497523 /nfs/dbraw/zinc/49/75/23/359497523.db2.gz ZMNZCFOBTNWSNQ-UHFFFAOYSA-N 1 0 319.369 1.111 20 5 DDBDRO C[C@H]1COCC[N@@H+]1C1CCN(c2ncc([N+](=O)[O-])cn2)CC1 ZINC000603399530 359616347 /nfs/dbraw/zinc/61/63/47/359616347.db2.gz CBZASBFVJJTJQB-NSHDSACASA-N 1 0 307.354 1.074 20 5 DDBDRO C[C@H]1C[C@@H](N(C)C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000187123682 200064568 /nfs/dbraw/zinc/06/45/68/200064568.db2.gz VWIIABPBVOHXGG-ONGXEEELSA-N 1 0 308.338 1.250 20 5 DDBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000237540941 202276298 /nfs/dbraw/zinc/27/62/98/202276298.db2.gz JTALIFABBADNAT-WDEREUQCSA-N 1 0 309.391 1.944 20 5 DDBDRO C[C@H]1CC[C@@](CO)([N@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000187982173 200186506 /nfs/dbraw/zinc/18/65/06/200186506.db2.gz VYNUQHZYQBGADJ-MEDUHNTESA-N 1 0 321.377 1.677 20 5 DDBDRO O=[N+]([O-])c1c(NCC[N@@H+]2CCCOCC2)nc2sccn21 ZINC000188498127 200256480 /nfs/dbraw/zinc/25/64/80/200256480.db2.gz WPLPZLJKCQLWBP-UHFFFAOYSA-N 1 0 311.367 1.438 20 5 DDBDRO CC[N@H+](CC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)C1CC1 ZINC000188513336 200259601 /nfs/dbraw/zinc/25/96/01/200259601.db2.gz BQBVXQCRXCZWMQ-UHFFFAOYSA-N 1 0 319.361 1.669 20 5 DDBDRO Cn1nnnc1CC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000618571446 363678307 /nfs/dbraw/zinc/67/83/07/363678307.db2.gz QVLPNELOVBZJRV-ZDUSSCGKSA-N 1 0 302.338 1.328 20 5 DDBDRO COc1cc(C(=O)N[C@H]2CCC[NH2+][C@H]2C)c([N+](=O)[O-])cc1OC ZINC000189312616 200380595 /nfs/dbraw/zinc/38/05/95/200380595.db2.gz ZEXVSURBIVQQFU-ONGXEEELSA-N 1 0 323.349 1.482 20 5 DDBDRO Cc1nn(CCC(=O)N[C@@H]2CCC[N@@H+](C)C2)c(C)c1[N+](=O)[O-] ZINC000608839545 360249580 /nfs/dbraw/zinc/24/95/80/360249580.db2.gz GGCUTFNPQMTGBY-GFCCVEGCSA-N 1 0 309.370 1.009 20 5 DDBDRO COCC[N@@H+]1CCC[C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000610239876 360395456 /nfs/dbraw/zinc/39/54/56/360395456.db2.gz AQMAGFYUVPQLAH-AWEZNQCLSA-N 1 0 321.377 1.364 20 5 DDBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000609877697 360359279 /nfs/dbraw/zinc/35/92/79/360359279.db2.gz PDTQQGNYMDHMAF-LLVKDONJSA-N 1 0 309.370 1.241 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000610276238 360406518 /nfs/dbraw/zinc/40/65/18/360406518.db2.gz FPEBRRXHRXZSLL-ZFWWWQNUSA-N 1 0 305.378 1.939 20 5 DDBDRO COCC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000610367617 360422379 /nfs/dbraw/zinc/42/23/79/360422379.db2.gz AQZSZNHXOPAGBK-LBPRGKRZSA-N 1 0 321.377 1.883 20 5 DDBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000610712470 360512493 /nfs/dbraw/zinc/51/24/93/360512493.db2.gz BWNUIPZHLWDQTB-MFKMUULPSA-N 1 0 321.381 1.125 20 5 DDBDRO CC[N@@H+]1CCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000611092113 360620863 /nfs/dbraw/zinc/62/08/63/360620863.db2.gz JAESPISAXNWFTR-CHWSQXEVSA-N 1 0 320.393 1.948 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000611104316 360623788 /nfs/dbraw/zinc/62/37/88/360623788.db2.gz PSLSRBWWXQVMLE-CYBMUJFWSA-N 1 0 323.397 1.410 20 5 DDBDRO CC[C@H](CO)[NH+]1CCN(c2nc(C)cc(C)c2[N+](=O)[O-])CC1 ZINC000611616837 360777426 /nfs/dbraw/zinc/77/74/26/360777426.db2.gz OCOHCHLYOTYNLO-CYBMUJFWSA-N 1 0 308.382 1.500 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)n1 ZINC000611616292 360777552 /nfs/dbraw/zinc/77/75/52/360777552.db2.gz UVILJOULOFNASV-OLZOCXBDSA-N 1 0 308.382 1.498 20 5 DDBDRO COC[C@@H]1CCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000612086275 360913425 /nfs/dbraw/zinc/91/34/25/360913425.db2.gz LVWZMVSICSKQBS-STQMWFEESA-N 1 0 310.350 1.445 20 5 DDBDRO C[C@H](O)C[N@@H+]1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H](C)C1 ZINC000281389947 216267738 /nfs/dbraw/zinc/26/77/38/216267738.db2.gz GGBLTGDWLZNXDJ-MNOVXSKESA-N 1 0 319.365 1.362 20 5 DDBDRO Cn1cc(C[NH2+]CCCCO)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000193257538 201014728 /nfs/dbraw/zinc/01/47/28/201014728.db2.gz WKQJKUSCVQUSBY-UHFFFAOYSA-N 1 0 304.350 1.857 20 5 DDBDRO Cc1cc(C)c(S(=O)(=O)NCC(C)(C)[NH3+])cc1[N+](=O)[O-] ZINC000193295368 201023217 /nfs/dbraw/zinc/02/32/17/201023217.db2.gz BVKOZUKFKAGPQO-UHFFFAOYSA-N 1 0 301.368 1.227 20 5 DDBDRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000193520760 201068014 /nfs/dbraw/zinc/06/80/14/201068014.db2.gz NTNYDXYXDWLEKP-GWCFXTLKSA-N 1 0 306.366 1.531 20 5 DDBDRO C[NH2+][C@@H]1CCCN(C(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000194732979 201278394 /nfs/dbraw/zinc/27/83/94/201278394.db2.gz LBIYGCQGZXBUPR-SNVBAGLBSA-N 1 0 323.349 1.436 20 5 DDBDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000195137273 201346587 /nfs/dbraw/zinc/34/65/87/201346587.db2.gz LMSWODUIUNDIGW-NSHDSACASA-N 1 0 306.366 1.781 20 5 DDBDRO COc1c[nH+]ccc1N1CCN(c2cccnc2[N+](=O)[O-])CC1 ZINC000619504505 364041756 /nfs/dbraw/zinc/04/17/56/364041756.db2.gz JZRATWIFAQQYFT-UHFFFAOYSA-N 1 0 315.333 1.720 20 5 DDBDRO CC[C@@H](C)C[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000093066034 193198808 /nfs/dbraw/zinc/19/88/08/193198808.db2.gz OVHCYRONBSZEDT-LLVKDONJSA-N 1 0 315.395 1.509 20 5 DDBDRO COCC1(CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)CC[NH2+]CC1 ZINC000261946332 203159205 /nfs/dbraw/zinc/15/92/05/203159205.db2.gz VQPBCMKUCSCQHN-UHFFFAOYSA-N 1 0 321.377 1.649 20 5 DDBDRO CCc1n[nH]c(C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)c1[N+](=O)[O-] ZINC000275067545 212102222 /nfs/dbraw/zinc/10/22/22/212102222.db2.gz AHXMBWQYVPLIHR-MWLCHTKSSA-N 1 0 309.370 1.293 20 5 DDBDRO C[C@H]1C[C@H](NC(=O)CSc2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000262951219 203419420 /nfs/dbraw/zinc/41/94/20/203419420.db2.gz VMJRVDCAJPULPK-WDEREUQCSA-N 1 0 309.391 1.944 20 5 DDBDRO C[C@H](CC[NH+](C)C)NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000264940360 204285657 /nfs/dbraw/zinc/28/56/57/204285657.db2.gz VUTBKEJIPHXJDF-SNVBAGLBSA-N 1 0 313.329 1.569 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000264956126 204300528 /nfs/dbraw/zinc/30/05/28/204300528.db2.gz YSWSUELVBOJRJJ-GFCCVEGCSA-N 1 0 306.366 1.485 20 5 DDBDRO C[C@H](CNC(=O)c1cc(F)ccc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000265047735 204364029 /nfs/dbraw/zinc/36/40/29/204364029.db2.gz BBQSAQRQQJHVFB-LLVKDONJSA-N 1 0 324.356 1.100 20 5 DDBDRO CC[NH+](CC)[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000266205820 205181330 /nfs/dbraw/zinc/18/13/30/205181330.db2.gz KYTLRCWUPHDZNX-SNVBAGLBSA-N 1 0 307.354 1.009 20 5 DDBDRO C[NH+](C)[C@H]1CCCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000270518377 248620887 /nfs/dbraw/zinc/62/08/87/248620887.db2.gz MJRUOGDJLOLILC-HNNXBMFYSA-N 1 0 320.393 1.873 20 5 DDBDRO O=C(NCCNc1cc[nH+]cc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000338069217 249778271 /nfs/dbraw/zinc/77/82/71/249778271.db2.gz LNHMVVKJSIYJGU-UHFFFAOYSA-N 1 0 320.736 1.907 20 5 DDBDRO C[C@@H]1CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCC1=O ZINC000338564705 250032519 /nfs/dbraw/zinc/03/25/19/250032519.db2.gz JMYVMABBGFMYJF-LLVKDONJSA-N 1 0 305.334 1.834 20 5 DDBDRO O=C(CC[NH+]1CCC(CO)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000339141266 250311563 /nfs/dbraw/zinc/31/15/63/250311563.db2.gz QWWPIVQGNAXWIW-UHFFFAOYSA-N 1 0 307.350 1.628 20 5 DDBDRO Cc1cc(OCC(=O)N(C)CCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000567434565 304218799 /nfs/dbraw/zinc/21/87/99/304218799.db2.gz SOAMTDXJXWJCFA-UHFFFAOYSA-N 1 0 309.366 1.692 20 5 DDBDRO Cc1c([C@@H](C)[NH2+]C[C@H]2CCS(=O)(=O)C2)cccc1[N+](=O)[O-] ZINC000268733124 206933778 /nfs/dbraw/zinc/93/37/78/206933778.db2.gz CSJVQZHHOHTWMV-VXGBXAGGSA-N 1 0 312.391 1.989 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1NCc1ccncc1OCC[NH+](C)C ZINC000341022717 251342844 /nfs/dbraw/zinc/34/28/44/251342844.db2.gz AXASRMSQLAGXEI-UHFFFAOYSA-N 1 0 320.353 1.276 20 5 DDBDRO [NH3+]CCCNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000269143771 207273400 /nfs/dbraw/zinc/27/34/00/207273400.db2.gz XRAQTPNETYYZDC-UHFFFAOYSA-N 1 0 320.118 1.575 20 5 DDBDRO C[NH2+][C@@H]1CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000269135038 207266444 /nfs/dbraw/zinc/26/64/44/207266444.db2.gz QCWLUJFZWINFEV-CYBMUJFWSA-N 1 0 306.366 1.607 20 5 DDBDRO C[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC[C@@H]1[NH3+] ZINC000269221923 207341493 /nfs/dbraw/zinc/34/14/93/207341493.db2.gz RYVMYODYJHIEEW-ZANVPECISA-N 1 0 311.769 1.986 20 5 DDBDRO C[NH2+][C@@H](C)Cc1noc(-c2cc(OC)c(OC)cc2[N+](=O)[O-])n1 ZINC000261697197 207366300 /nfs/dbraw/zinc/36/63/00/207366300.db2.gz HUSYQSMSFZJMLE-QMMMGPOBSA-N 1 0 322.321 1.812 20 5 DDBDRO Cc1nn(C)c(C(=O)Nc2ccc3c(c2)C[NH2+]CC3)c1[N+](=O)[O-] ZINC000269246135 207379850 /nfs/dbraw/zinc/37/98/50/207379850.db2.gz ZMWRYVLFXPRNAV-UHFFFAOYSA-N 1 0 315.333 1.535 20 5 DDBDRO Cc1ccc([C@@H](C)NC(=O)C[C@H]2C[NH2+]CCO2)cc1[N+](=O)[O-] ZINC000269250697 207387473 /nfs/dbraw/zinc/38/74/73/207387473.db2.gz SMCWCTQMLHOZCK-YPMHNXCESA-N 1 0 307.350 1.459 20 5 DDBDRO CCc1ccc(S(=O)(=O)N[C@H](C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000567850860 304247914 /nfs/dbraw/zinc/24/79/14/304247914.db2.gz VZQCRNXQBOZCHZ-GFCCVEGCSA-N 1 0 313.379 1.173 20 5 DDBDRO CC(C)[C@@H](O)CC[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000567876664 304250578 /nfs/dbraw/zinc/25/05/78/304250578.db2.gz WHUYSPZDUPXWJN-OCCSQVGLSA-N 1 0 312.366 1.331 20 5 DDBDRO O=C(CC[N@@H+](CCO)CC1CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000352491454 285088438 /nfs/dbraw/zinc/08/84/38/285088438.db2.gz QECDQLIJNHHZPB-UHFFFAOYSA-N 1 0 307.350 1.628 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CNC(C)(C)C[NH+](C)C ZINC000459544318 533138096 /nfs/dbraw/zinc/13/80/96/533138096.db2.gz DIBDFDAKLYMXSC-UHFFFAOYSA-N 1 0 324.381 1.472 20 5 DDBDRO C[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CCC[C@@H]1O ZINC000352696691 285235130 /nfs/dbraw/zinc/23/51/30/285235130.db2.gz JZUVJRYQXCGMNN-QEJZJMRPSA-N 1 0 310.350 1.180 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000289781755 221222567 /nfs/dbraw/zinc/22/25/67/221222567.db2.gz NYOFDSPNBHRCHW-NEPJUHHUSA-N 1 0 305.334 1.042 20 5 DDBDRO CO[C@@H]1CC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000451578804 533414716 /nfs/dbraw/zinc/41/47/16/533414716.db2.gz XRDYSKLTIYLPEE-UMVBOHGHSA-N 1 0 324.377 1.691 20 5 DDBDRO COc1ccc(CNC(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)cc1[N+](=O)[O-] ZINC000417204035 533627034 /nfs/dbraw/zinc/62/70/34/533627034.db2.gz ZOJKDNHGTDFIGO-CMPLNLGQSA-N 1 0 322.365 1.543 20 5 DDBDRO COc1ccc(CNC(=O)N[C@H]2CC[NH2+][C@H](C)C2)cc1[N+](=O)[O-] ZINC000417204037 533633423 /nfs/dbraw/zinc/63/34/23/533633423.db2.gz ZOJKDNHGTDFIGO-PWSUYJOCSA-N 1 0 322.365 1.543 20 5 DDBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CCCOCCO)n1 ZINC000447596911 296518859 /nfs/dbraw/zinc/51/88/59/296518859.db2.gz RBJMQKZSPBYTGM-STQMWFEESA-N 1 0 312.370 1.264 20 5 DDBDRO Cc1n[nH]c(C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000072061742 406873012 /nfs/dbraw/zinc/87/30/12/406873012.db2.gz PZNZFAXZPFRYRO-LLVKDONJSA-N 1 0 309.370 1.477 20 5 DDBDRO CCC[N@H+](CCO)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000076951591 406975359 /nfs/dbraw/zinc/97/53/59/406975359.db2.gz WOHSSDRVBSWCIR-UHFFFAOYSA-N 1 0 307.350 1.188 20 5 DDBDRO COCCC[N@H+](C)CCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000078372894 407026704 /nfs/dbraw/zinc/02/67/04/407026704.db2.gz ZPBAWIOLFCARLI-UHFFFAOYSA-N 1 0 312.326 1.883 20 5 DDBDRO C[NH+](C)[C@H](CNC(=O)Cn1cc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000046948811 407067089 /nfs/dbraw/zinc/06/70/89/407067089.db2.gz RIBQOMSSFVJVCF-CQSZACIVSA-N 1 0 323.397 1.418 20 5 DDBDRO C[NH+](C)CCN(C(=O)Cn1cc([N+](=O)[O-])cn1)C1CCCC1 ZINC000053152622 407164432 /nfs/dbraw/zinc/16/44/32/407164432.db2.gz XBMNVBMDKSIITR-UHFFFAOYSA-N 1 0 309.370 1.124 20 5 DDBDRO O=C(Nc1ccncc1[N+](=O)[O-])N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000124534834 407361451 /nfs/dbraw/zinc/36/14/51/407361451.db2.gz HSRURJWYTQPABB-LLVKDONJSA-N 1 0 305.338 1.692 20 5 DDBDRO CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCOC1 ZINC000106880365 407363989 /nfs/dbraw/zinc/36/39/89/407363989.db2.gz LVHTZWPXJAZFBE-JTQLQIEISA-N 1 0 313.741 1.907 20 5 DDBDRO CCc1n[nH]c(C(=O)N2CC[NH+](C3CCCC3)CC2)c1[N+](=O)[O-] ZINC000170694053 407477689 /nfs/dbraw/zinc/47/76/89/407477689.db2.gz HEPFHDBBPRDYDY-UHFFFAOYSA-N 1 0 321.381 1.581 20 5 DDBDRO Cc1cccc(C(=O)NC[C@H](C)N2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000114143296 407544205 /nfs/dbraw/zinc/54/42/05/407544205.db2.gz YNUVEFMJWBRKDQ-ZDUSSCGKSA-N 1 0 320.393 1.269 20 5 DDBDRO C[C@H]([NH3+])[C@H]1CCCN(CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000261850766 407641837 /nfs/dbraw/zinc/64/18/37/407641837.db2.gz DLJGIGAKBCLUHQ-RYUDHWBXSA-N 1 0 306.366 1.593 20 5 DDBDRO C[C@@H]1C[NH2+]CCN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000261866368 407646358 /nfs/dbraw/zinc/64/63/58/407646358.db2.gz NZXIPBOIBBVKOK-SNVBAGLBSA-N 1 0 303.322 1.439 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NCC[C@H](C)[NH3+] ZINC000178909944 407652748 /nfs/dbraw/zinc/65/27/48/407652748.db2.gz KGQYUCUWJQZVDU-JTQLQIEISA-N 1 0 301.368 1.227 20 5 DDBDRO COC[C@@]1(CNC(=O)c2ccc(OC)c([N+](=O)[O-])c2)CCC[NH2+]1 ZINC000261888522 407656733 /nfs/dbraw/zinc/65/67/33/407656733.db2.gz NJPWKAYDVGXHHS-HNNXBMFYSA-N 1 0 323.349 1.102 20 5 DDBDRO CC(C)C[C@@](C)(C[NH3+])NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000236696101 407756673 /nfs/dbraw/zinc/75/66/73/407756673.db2.gz CCCDZHLJMRAUAY-AWEZNQCLSA-N 1 0 324.337 1.996 20 5 DDBDRO C[C@@H](CNC(=O)NCc1ccc([N+](=O)[O-])cc1)[N@H+](C)C1CC1 ZINC000171649825 407733375 /nfs/dbraw/zinc/73/33/75/407733375.db2.gz HCIAYNMIZCLYMU-NSHDSACASA-N 1 0 306.366 1.877 20 5 DDBDRO CCc1n[nH]c(C(=O)NC[C@@H](C)C[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000171676664 407739230 /nfs/dbraw/zinc/73/92/30/407739230.db2.gz VQACDEVXLYJKJJ-LLVKDONJSA-N 1 0 323.397 1.732 20 5 DDBDRO CC(C)C[C@](C)(C[NH3+])NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000236682862 407750082 /nfs/dbraw/zinc/75/00/82/407750082.db2.gz RHUWJQDLPXTMOI-OAHLLOKOSA-N 1 0 308.382 1.886 20 5 DDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H](C)C[NH2+]C ZINC000236983268 407784953 /nfs/dbraw/zinc/78/49/53/407784953.db2.gz KYVHKYOYQGBBHT-SNVBAGLBSA-N 1 0 315.395 1.291 20 5 DDBDRO COc1cc(OCC(=O)NC[C@H]2CCCC[NH2+]2)ccc1[N+](=O)[O-] ZINC000237226518 407806457 /nfs/dbraw/zinc/80/64/57/407806457.db2.gz HTIZFYUWRBFQHO-LLVKDONJSA-N 1 0 323.349 1.241 20 5 DDBDRO C[C@@]1(C(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC[NH2+]C1 ZINC000237568123 407830529 /nfs/dbraw/zinc/83/05/29/407830529.db2.gz QXRWROUEMSQDJN-XHDPSFHLSA-N 1 0 319.365 1.002 20 5 DDBDRO [NH3+]C[C@@H]1CCCN1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000237971124 407860420 /nfs/dbraw/zinc/86/04/20/407860420.db2.gz AOBUOOSSPGKRFM-LBPRGKRZSA-N 1 0 315.333 1.344 20 5 DDBDRO O=[N+]([O-])c1cc(Cl)ccc1CN1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262560888 407869386 /nfs/dbraw/zinc/86/93/86/407869386.db2.gz VLMSZSDSAFPZOQ-AWEZNQCLSA-N 1 0 324.812 1.728 20 5 DDBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000268135974 407906315 /nfs/dbraw/zinc/90/63/15/407906315.db2.gz CIGUGXFLKUAGKB-NOZJJQNGSA-N 1 0 304.350 1.390 20 5 DDBDRO Cc1cc(S(=O)(=O)NCC[C@@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000262773673 407925031 /nfs/dbraw/zinc/92/50/31/407925031.db2.gz WLHAXGDVCKTSGG-NSHDSACASA-N 1 0 313.379 1.181 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000245466484 407992306 /nfs/dbraw/zinc/99/23/06/407992306.db2.gz ZBIWUFYWKRZQKS-YPMHNXCESA-N 1 0 319.361 1.912 20 5 DDBDRO C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000154747829 408077717 /nfs/dbraw/zinc/07/77/17/408077717.db2.gz SAEWQPORRKZVSO-NSHDSACASA-N 1 0 314.345 1.967 20 5 DDBDRO CC[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CCCO1 ZINC000182225747 408099290 /nfs/dbraw/zinc/09/92/90/408099290.db2.gz UFRXLSMVXMZHOZ-CWRNSKLLSA-N 1 0 324.377 1.882 20 5 DDBDRO C[C@H](O)[C@@H]1CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000182492208 408178707 /nfs/dbraw/zinc/17/87/07/408178707.db2.gz LZPBWQMQNGGYDP-XQQFMLRXSA-N 1 0 310.350 1.037 20 5 DDBDRO CO[C@@H](C)[C@@H](C)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000273417187 408191245 /nfs/dbraw/zinc/19/12/45/408191245.db2.gz ISKYPNOSDMPMSE-MNOVXSKESA-N 1 0 316.379 1.382 20 5 DDBDRO O=C(CCn1cc([N+](=O)[O-])cn1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000263764156 408247695 /nfs/dbraw/zinc/24/76/95/408247695.db2.gz DESNAYWIKORHQT-CYBMUJFWSA-N 1 0 321.381 1.268 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+]C1(CO)CCCC1 ZINC000175996410 408262430 /nfs/dbraw/zinc/26/24/30/408262430.db2.gz LBEJAIOYYWOSGI-UHFFFAOYSA-N 1 0 323.349 1.437 20 5 DDBDRO CC(C)[C@H]([NH3+])CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000269259239 408233408 /nfs/dbraw/zinc/23/34/08/408233408.db2.gz ITUDCCOPHGPRJB-GFCCVEGCSA-N 1 0 306.366 1.882 20 5 DDBDRO Nc1nc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)ncc1[N+](=O)[O-] ZINC000269427720 408305547 /nfs/dbraw/zinc/30/55/47/408305547.db2.gz OJQKNFJRHJVVPE-CMPLNLGQSA-N 1 0 318.381 1.420 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000269432747 408308473 /nfs/dbraw/zinc/30/84/73/408308473.db2.gz CIWNUFWVEGQKAL-KOLCDFICSA-N 1 0 321.381 1.654 20 5 DDBDRO C[C@@H](CNc1ccc([N+](=O)[O-])c2nonc21)N1CC[NH+](C)CC1 ZINC000263919403 408313590 /nfs/dbraw/zinc/31/35/90/408313590.db2.gz RWFDXSJZRRUXNN-JTQLQIEISA-N 1 0 320.353 1.179 20 5 DDBDRO CC(=O)N(C)C1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000269641003 408370208 /nfs/dbraw/zinc/37/02/08/408370208.db2.gz JDLZEAAYRZZKBR-INIZCTEOSA-N 1 0 321.377 1.571 20 5 DDBDRO C[C@H]([NH2+]C[C@H](O)CN1CCCC1=O)c1cccc([N+](=O)[O-])c1 ZINC000173363957 162334102 /nfs/dbraw/zinc/33/41/02/162334102.db2.gz NIBOYQRJFCWBAX-FZMZJTMJSA-N 1 0 307.350 1.229 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)CN2CC[NH+](C3CCC3)CC2)c1 ZINC000269645881 408373178 /nfs/dbraw/zinc/37/31/78/408373178.db2.gz KXRXFGRTHLNFQQ-INIZCTEOSA-N 1 0 305.378 1.798 20 5 DDBDRO CC(C)[N@@H+]1CCC[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000274433782 408404051 /nfs/dbraw/zinc/40/40/51/408404051.db2.gz GHVURZFCBMBNIY-NSHDSACASA-N 1 0 324.356 1.919 20 5 DDBDRO COC[C@@H]([NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1C)C1CC1 ZINC000183447304 408413253 /nfs/dbraw/zinc/41/32/53/408413253.db2.gz OLVSKYWDSNUXJG-CQSZACIVSA-N 1 0 307.350 1.856 20 5 DDBDRO C[NH2+][C@@H]1CCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000160471413 408485897 /nfs/dbraw/zinc/48/58/97/408485897.db2.gz GYCAETNOUUIZGP-GFCCVEGCSA-N 1 0 315.333 1.214 20 5 DDBDRO COCC[N@@H+]1CC[C@@H](NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000264438277 408489532 /nfs/dbraw/zinc/48/95/32/408489532.db2.gz BJYCJJTYMZGVIA-BTKRWWFXSA-N 1 0 319.361 1.445 20 5 DDBDRO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000177030511 408501152 /nfs/dbraw/zinc/50/11/52/408501152.db2.gz FQINRWJALAEYQL-LLVKDONJSA-N 1 0 306.366 1.733 20 5 DDBDRO C[NH+]1CCC(NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000184132376 408554942 /nfs/dbraw/zinc/55/49/42/408554942.db2.gz VZSQWJIYFDFTNV-UHFFFAOYSA-N 1 0 313.379 1.108 20 5 DDBDRO COCC[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000264609586 408539963 /nfs/dbraw/zinc/53/99/63/408539963.db2.gz ZDAMVITUNCKZRT-ZDUSSCGKSA-N 1 0 307.350 1.354 20 5 DDBDRO CC(C)[C@@H](CCO)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000161700929 408629795 /nfs/dbraw/zinc/62/97/95/408629795.db2.gz SKLCGQDDAZGQMS-UKRRQHHQSA-N 1 0 312.366 1.331 20 5 DDBDRO O=C(NC[C@@H]1CCC[NH2+]1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000178758075 162688661 /nfs/dbraw/zinc/68/86/61/162688661.db2.gz WORMGTWMBXNGRN-LBPRGKRZSA-N 1 0 315.333 1.262 20 5 DDBDRO COc1cccc(C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000192690368 408631891 /nfs/dbraw/zinc/63/18/91/408631891.db2.gz CVCKGRKQBODRJU-GHMZBOCLSA-N 1 0 319.361 1.958 20 5 DDBDRO CCc1n[nH]c(C(=O)N2[C@@H]3CC[C@H]2CC[N@@H+](CC)C3)c1[N+](=O)[O-] ZINC000192688215 408632573 /nfs/dbraw/zinc/63/25/73/408632573.db2.gz VINLCSHBZIEAMB-WDEREUQCSA-N 1 0 321.381 1.579 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000177542459 408653041 /nfs/dbraw/zinc/65/30/41/408653041.db2.gz AXZZVHKUCHKTSU-STQMWFEESA-N 1 0 323.397 1.479 20 5 DDBDRO Cn1cc([N+](=O)[O-])c(C(=O)Nc2cccc(C[NH+](C)C)c2)n1 ZINC000270758183 408668449 /nfs/dbraw/zinc/66/84/49/408668449.db2.gz LJLUEUCDXYLZGM-UHFFFAOYSA-N 1 0 303.322 1.642 20 5 DDBDRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)C[C@@H]12 ZINC000184953674 408726118 /nfs/dbraw/zinc/72/61/18/408726118.db2.gz VJVBYKSFMZGJKP-BZHVJNSISA-N 1 0 320.305 1.312 20 5 DDBDRO COCC[N@@H+]1CC[C@@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000265653649 408731361 /nfs/dbraw/zinc/73/13/61/408731361.db2.gz XZLJFJJBDVHVBS-CYBMUJFWSA-N 1 0 322.365 1.115 20 5 DDBDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2c([N+](=O)[O-])cnn2C)C1 ZINC000163605339 408784019 /nfs/dbraw/zinc/78/40/19/408784019.db2.gz ROOLIICVJQQSGG-LLVKDONJSA-N 1 0 323.397 1.569 20 5 DDBDRO Cc1nn(C)c(C(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000249733596 408758694 /nfs/dbraw/zinc/75/86/94/408758694.db2.gz CLDIVELLORBZQE-GHMZBOCLSA-N 1 0 323.397 1.487 20 5 DDBDRO C[C@H](C[S@](C)=O)[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000185105852 408758883 /nfs/dbraw/zinc/75/88/83/408758883.db2.gz VCVIFEGTUZTYFE-GIPWTMENSA-N 1 0 300.380 1.672 20 5 DDBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000276501257 408872173 /nfs/dbraw/zinc/87/21/73/408872173.db2.gz JMWODCZBGYTLRB-YMTOWFKASA-N 1 0 304.350 1.390 20 5 DDBDRO Nc1ccc(C(=O)NCc2ccc3c(c2)C[NH2+]C3)cc1[N+](=O)[O-] ZINC000188737292 163066033 /nfs/dbraw/zinc/06/60/33/163066033.db2.gz DBAQDDWHEBZGNY-UHFFFAOYSA-N 1 0 312.329 1.710 20 5 DDBDRO COc1cc(C(=O)N2CC[NH2+]C(C)(C)C2)cc([N+](=O)[O-])c1C ZINC000188767993 163067349 /nfs/dbraw/zinc/06/73/49/163067349.db2.gz HXKPGRDXQFEHNV-UHFFFAOYSA-N 1 0 307.350 1.736 20 5 DDBDRO Cc1n[nH]c(C(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)c1[N+](=O)[O-] ZINC000286989442 409003117 /nfs/dbraw/zinc/00/31/17/409003117.db2.gz GXVHQJYVZHKGAX-MNOVXSKESA-N 1 0 307.354 1.325 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC([NH+](C)C)C1 ZINC000281932467 408956380 /nfs/dbraw/zinc/95/63/80/408956380.db2.gz KRJMLXYHRLBWFD-UHFFFAOYSA-N 1 0 308.338 1.771 20 5 DDBDRO C[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]1CO ZINC000281952717 408959353 /nfs/dbraw/zinc/95/93/53/408959353.db2.gz FQKFDWBHJKQAIU-FZMZJTMJSA-N 1 0 307.350 1.626 20 5 DDBDRO C[N@H+](Cc1ccccc1)C1CN(c2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000286391343 408976237 /nfs/dbraw/zinc/97/62/37/408976237.db2.gz OYFSBMPRLTYOIP-UHFFFAOYSA-N 1 0 314.349 1.288 20 5 DDBDRO CC[C@@H](C)[N@H+](CCO)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000287310710 409017624 /nfs/dbraw/zinc/01/76/24/409017624.db2.gz JKGPJECJYBQGSE-OCCSQVGLSA-N 1 0 312.366 1.427 20 5 DDBDRO CC[C@@H](C)[N@H+](CCO)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000287310715 409017988 /nfs/dbraw/zinc/01/79/88/409017988.db2.gz JKGPJECJYBQGSE-TZMCWYRMSA-N 1 0 312.366 1.427 20 5 DDBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000293346393 409093842 /nfs/dbraw/zinc/09/38/42/409093842.db2.gz HLNZEXCDKNZFDQ-XQQFMLRXSA-N 1 0 320.393 1.946 20 5 DDBDRO C[NH2+][C@@H](C)CNC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000283249804 409122533 /nfs/dbraw/zinc/12/25/33/409122533.db2.gz DLDVDRFPAQWCNL-ZETCQYMHSA-N 1 0 310.310 1.458 20 5 DDBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000293494401 409125128 /nfs/dbraw/zinc/12/51/28/409125128.db2.gz SDMLRPKZAHDUPQ-UKRRQHHQSA-N 1 0 303.362 1.738 20 5 DDBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])c(F)cc1N)[N@H+](C)C1CC1 ZINC000279311304 409190173 /nfs/dbraw/zinc/19/01/73/409190173.db2.gz AVQBEAIVROXNKN-QMMMGPOBSA-N 1 0 310.329 1.529 20 5 DDBDRO COC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)[C@@H]1CCCO1 ZINC000279112011 409150521 /nfs/dbraw/zinc/15/05/21/409150521.db2.gz SPXAXMGJOXVLEO-HIFRSBDPSA-N 1 0 310.350 1.887 20 5 DDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000261753857 163696810 /nfs/dbraw/zinc/69/68/10/163696810.db2.gz UEDKKARHYRYEPD-ZDUSSCGKSA-N 1 0 313.379 1.263 20 5 DDBDRO COc1ccc(S(=O)(=O)N[C@H](C)CCC[NH3+])cc1[N+](=O)[O-] ZINC000313811177 164011609 /nfs/dbraw/zinc/01/16/09/164011609.db2.gz IPOSEGORNISZEY-SECBINFHSA-N 1 0 317.367 1.009 20 5 DDBDRO CC[N@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)CC(C)(C)O ZINC000304121991 409577938 /nfs/dbraw/zinc/57/79/38/409577938.db2.gz RFHHEXAPMIZBFR-UHFFFAOYSA-N 1 0 309.366 1.935 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000342451402 409642709 /nfs/dbraw/zinc/64/27/09/409642709.db2.gz PAVZHJAPORMNHZ-YMTOWFKASA-N 1 0 304.350 1.511 20 5 DDBDRO CC[N@@H+]1C[C@H](C)N(c2ccc(C(=O)NC)cc2[N+](=O)[O-])C[C@H]1C ZINC000345167194 409654630 /nfs/dbraw/zinc/65/46/30/409654630.db2.gz XVMKPUBDQJDZCV-NEPJUHHUSA-N 1 0 320.393 1.873 20 5 DDBDRO CC[C@@H](C)[NH+]1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000296864628 409674928 /nfs/dbraw/zinc/67/49/28/409674928.db2.gz IHMFUAQYLRPDSJ-LLVKDONJSA-N 1 0 306.366 1.733 20 5 DDBDRO C[N@H+](CC[C@@H]1CCCO1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000342602185 409757053 /nfs/dbraw/zinc/75/70/53/409757053.db2.gz LWWGOVZWSFESCM-KBPBESRZSA-N 1 0 324.377 1.835 20 5 DDBDRO COc1ccc(OCCN2CC[C@H]3C[NH2+]C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000357070001 409835347 /nfs/dbraw/zinc/83/53/47/409835347.db2.gz ILQNCFMCROUELN-QWHCGFSZSA-N 1 0 321.377 1.524 20 5 DDBDRO Cc1ccc(C(=O)NCC[NH+]2CCC(O)CC2)cc1[N+](=O)[O-] ZINC000297068954 409787725 /nfs/dbraw/zinc/78/77/25/409787725.db2.gz VHDTWGBSQQJUKB-UHFFFAOYSA-N 1 0 307.350 1.090 20 5 DDBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Cn2cc([N+](=O)[O-])nc2C)C[C@@H]1C ZINC000354385294 409814531 /nfs/dbraw/zinc/81/45/31/409814531.db2.gz CTOWRJJSCWJBOP-WCQYABFASA-N 1 0 323.397 1.431 20 5 DDBDRO CCN1CCO[C@H](C(=O)NCc2cccc([N+](=O)[O-])c2C)C1 ZINC000357154822 409907433 /nfs/dbraw/zinc/90/74/33/409907433.db2.gz FKXLWESIFCHIGF-AWEZNQCLSA-N 1 0 307.350 1.240 20 5 DDBDRO CC(C)[C@H](CNc1ccncc1[N+](=O)[O-])[NH+]1CCN(C)CC1 ZINC000316708002 409858282 /nfs/dbraw/zinc/85/82/82/409858282.db2.gz ZFZJIULWDLHROF-AWEZNQCLSA-N 1 0 307.398 1.674 20 5 DDBDRO Cc1c(NC(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000332189681 409961470 /nfs/dbraw/zinc/96/14/70/409961470.db2.gz GBYYQYXKENEESB-RYUDHWBXSA-N 1 0 304.350 1.976 20 5 DDBDRO C[NH+](C)[C@]1(CNc2cccc(C(N)=O)c2[N+](=O)[O-])CCSC1 ZINC000342825843 409929521 /nfs/dbraw/zinc/92/95/21/409929521.db2.gz QQOVMZHINSDTBZ-AWEZNQCLSA-N 1 0 324.406 1.543 20 5 DDBDRO C[C@H](CC(N)=O)[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000343099418 410142114 /nfs/dbraw/zinc/14/21/14/410142114.db2.gz VDBXPIGNOQYLOM-NXEZZACHSA-N 1 0 308.338 1.165 20 5 DDBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C1(CCO)CCOCC1 ZINC000355021056 410247140 /nfs/dbraw/zinc/24/71/40/410247140.db2.gz ZBGKANCPTFQJLF-UHFFFAOYSA-N 1 0 324.377 1.837 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](CO)C[NH+]2CCCCC2)c1 ZINC000298506322 410264198 /nfs/dbraw/zinc/26/41/98/410264198.db2.gz GZPOBNXORQYAMJ-CYBMUJFWSA-N 1 0 321.377 1.480 20 5 DDBDRO Cc1ccc(NC(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)cc1[N+](=O)[O-] ZINC000332716100 410230987 /nfs/dbraw/zinc/23/09/87/410230987.db2.gz VXRBQBYDXPBQNY-RYUDHWBXSA-N 1 0 304.350 1.976 20 5 DDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000351857904 410294570 /nfs/dbraw/zinc/29/45/70/410294570.db2.gz CSHMVLIHIALLNO-QJPTWQEYSA-N 1 0 306.366 1.591 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000352013314 410411908 /nfs/dbraw/zinc/41/19/08/410411908.db2.gz IPRQUWYDWRMPJD-QWRGUYRKSA-N 1 0 309.370 1.041 20 5 DDBDRO COc1ccc(C(=O)N[C@H]2CCC[N@H+](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000343525035 410508671 /nfs/dbraw/zinc/50/86/71/410508671.db2.gz LSZZEVSEIMJNMJ-PWSUYJOCSA-N 1 0 307.350 1.816 20 5 DDBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000262458931 287152524 /nfs/dbraw/zinc/15/25/24/287152524.db2.gz IKGBQLZRIXXTPR-KBPBESRZSA-N 1 0 304.394 1.635 20 5 DDBDRO CNC(=O)c1ccc(NCC2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000301142753 410664164 /nfs/dbraw/zinc/66/41/64/410664164.db2.gz JEJMONOHZHXTBK-UHFFFAOYSA-N 1 0 306.366 1.708 20 5 DDBDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000359519092 410704374 /nfs/dbraw/zinc/70/43/74/410704374.db2.gz QVMRSNAXQAYQHG-GFCCVEGCSA-N 1 0 308.382 1.880 20 5 DDBDRO CS[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@H]1[NH+](C)C ZINC000330500417 410732404 /nfs/dbraw/zinc/73/24/04/410732404.db2.gz OSJDYFNCPLIRIM-ZIAGYGMSSA-N 1 0 323.418 1.641 20 5 DDBDRO O=C(CC[N@H+]1CCC[C@@H]1CCO)Nc1ccccc1[N+](=O)[O-] ZINC000337409949 410764465 /nfs/dbraw/zinc/76/44/65/410764465.db2.gz LCCGQADXXQZTFB-GFCCVEGCSA-N 1 0 307.350 1.770 20 5 DDBDRO COc1c(C(=O)N(C)[C@@H]2C[NH+]3CCC2CC3)cccc1[N+](=O)[O-] ZINC000356009556 410772620 /nfs/dbraw/zinc/77/26/20/410772620.db2.gz YTJKFQMRXRJTPH-CQSZACIVSA-N 1 0 319.361 1.770 20 5 DDBDRO CN(C(=O)c1ccc([N+](=O)[O-])cc1F)[C@H]1C[NH+]2CCC1CC2 ZINC000347948305 410808248 /nfs/dbraw/zinc/80/82/48/410808248.db2.gz MFWQQZYRLPNUOG-AWEZNQCLSA-N 1 0 307.325 1.900 20 5 DDBDRO COC(=O)c1cnc(N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000302750016 410857516 /nfs/dbraw/zinc/85/75/16/410857516.db2.gz GWKLHYSZFDCPBI-GXSJLCMTSA-N 1 0 320.349 1.814 20 5 DDBDRO COC(=O)[C@H]1CCCC[C@]1(C)[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000330663987 410858528 /nfs/dbraw/zinc/85/85/28/410858528.db2.gz FPKRQKBJCQYOQA-YGRLFVJLSA-N 1 0 310.354 1.540 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[N@@H+](C)C[C@@H]1C ZINC000330663424 410859451 /nfs/dbraw/zinc/85/94/51/410859451.db2.gz FCCVQLYOJRHALH-LBPRGKRZSA-N 1 0 306.366 1.478 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[N@@H+](C)C[C@H]1C ZINC000330665857 410862523 /nfs/dbraw/zinc/86/25/23/410862523.db2.gz HJMAGSLFNVTKRL-GFCCVEGCSA-N 1 0 306.366 1.478 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC[NH2+]C(C)(C)C2)c1 ZINC000330670263 410865215 /nfs/dbraw/zinc/86/52/15/410865215.db2.gz BRDCEBTWYIEGDT-UHFFFAOYSA-N 1 0 321.377 1.883 20 5 DDBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000359809572 410893187 /nfs/dbraw/zinc/89/31/87/410893187.db2.gz QLVCZUSGVSTSNL-SNVBAGLBSA-N 1 0 309.370 1.422 20 5 DDBDRO CN(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@H](C[NH3+])C1CC1 ZINC000359876275 410927785 /nfs/dbraw/zinc/92/77/85/410927785.db2.gz LBWDOCSZIWWQGH-CQSZACIVSA-N 1 0 306.366 1.227 20 5 DDBDRO C[NH+](C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)c1ccccc1 ZINC000348509049 410989542 /nfs/dbraw/zinc/98/95/42/410989542.db2.gz RDWHGCMTGVQQKS-LBPRGKRZSA-N 1 0 303.322 1.351 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)[C@H](C[NH3+])C1CC1 ZINC000359908642 410945680 /nfs/dbraw/zinc/94/56/80/410945680.db2.gz XQAPAVZJFPUVNL-OAHLLOKOSA-N 1 0 320.393 1.901 20 5 DDBDRO C[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)CC1(O)CCC1 ZINC000353481976 411021216 /nfs/dbraw/zinc/02/12/16/411021216.db2.gz DTKAMKJZRYOSKH-UHFFFAOYSA-N 1 0 319.361 1.331 20 5 DDBDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1c([N+](=O)[O-])cnn1C ZINC000129571616 196058974 /nfs/dbraw/zinc/05/89/74/196058974.db2.gz DIDQJMAECMOXLG-LLVKDONJSA-N 1 0 309.370 1.179 20 5 DDBDRO CC[C@@H]1C[N@H+](C)CCN1C(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000580246362 422907477 /nfs/dbraw/zinc/90/74/77/422907477.db2.gz YRMVRUGFUGHHND-CYBMUJFWSA-N 1 0 321.377 1.699 20 5 DDBDRO C[C@H](NC(=O)NC[C@H]1CCC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000418232456 225640725 /nfs/dbraw/zinc/64/07/25/225640725.db2.gz MPZOSDNIVVWPKM-RYUDHWBXSA-N 1 0 306.366 1.955 20 5 DDBDRO [NH3+]C[C@H]1CCCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000420295571 226455296 /nfs/dbraw/zinc/45/52/96/226455296.db2.gz VOMHHBUIOPTDKL-SNVBAGLBSA-N 1 0 312.757 1.610 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCCc2ccccc2F)c1 ZINC000571790927 304487556 /nfs/dbraw/zinc/48/75/56/304487556.db2.gz IHBHWGLXNNBTBM-AWEZNQCLSA-N 1 0 322.340 1.514 20 5 DDBDRO C[C@@](O)(C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)C(F)(F)F ZINC000374174519 418501223 /nfs/dbraw/zinc/50/12/23/418501223.db2.gz JBFTZXZNKMVSBM-LLVKDONJSA-N 1 0 322.287 1.742 20 5 DDBDRO Cc1c([C@@H](C)[NH2+]CC(=O)NCC(F)F)cccc1[N+](=O)[O-] ZINC000280447720 418570018 /nfs/dbraw/zinc/57/00/18/418570018.db2.gz DECMBOPULHRCJX-SECBINFHSA-N 1 0 301.293 1.935 20 5 DDBDRO Cn1c(Sc2ccncc2[N+](=O)[O-])nnc1[C@H]1CCC[NH2+]C1 ZINC000360910394 418544648 /nfs/dbraw/zinc/54/46/48/418544648.db2.gz SOIACKMRGLOKHZ-VIFPVBQESA-N 1 0 320.378 1.737 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000374601315 418544924 /nfs/dbraw/zinc/54/49/24/418544924.db2.gz FKYYGQGPMWJTNY-BPNCWPANSA-N 1 0 319.361 1.803 20 5 DDBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)COc3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000374625658 418546516 /nfs/dbraw/zinc/54/65/16/418546516.db2.gz UBDIAJNHDMHCSS-TUKIKUTGSA-N 1 0 319.361 1.559 20 5 DDBDRO CNc1c(C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000360945989 418551712 /nfs/dbraw/zinc/55/17/12/418551712.db2.gz SUXNAGYZENRUNZ-MFKMUULPSA-N 1 0 318.377 1.849 20 5 DDBDRO CCc1nn(C)c(NC[C@@H]2CCC[N@@H+]2CCOC)c1[N+](=O)[O-] ZINC000360967103 418556639 /nfs/dbraw/zinc/55/66/39/418556639.db2.gz WZIMKJVAABQKBE-NSHDSACASA-N 1 0 311.386 1.413 20 5 DDBDRO CO[C@@H]1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000361361229 418634676 /nfs/dbraw/zinc/63/46/76/418634676.db2.gz DLPCIWCGZTTYHS-CYBMUJFWSA-N 1 0 307.350 1.953 20 5 DDBDRO C[N@@H+]1CCO[C@H]2CN(c3c4c(ccc3[N+](=O)[O-])NCC4)C[C@H]21 ZINC000408404819 418801761 /nfs/dbraw/zinc/80/17/61/418801761.db2.gz JWRRITFUDABSQC-KGLIPLIRSA-N 1 0 304.350 1.082 20 5 DDBDRO COc1ccc(OCCN2CCC[N@H+](C)CC2)c([N+](=O)[O-])c1 ZINC000411150677 418873911 /nfs/dbraw/zinc/87/39/11/418873911.db2.gz XDOKTSWEFVOFDY-UHFFFAOYSA-N 1 0 309.366 1.620 20 5 DDBDRO C[N@@H+]1CCCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000411157155 418874867 /nfs/dbraw/zinc/87/48/67/418874867.db2.gz PXZGOYHOVWKEFD-HNNXBMFYSA-N 1 0 318.377 1.338 20 5 DDBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CC[C@H](n3cncn3)C2)cc1 ZINC000372483319 418875842 /nfs/dbraw/zinc/87/58/42/418875842.db2.gz UIJHTGYPADMOLL-AWEZNQCLSA-N 1 0 317.349 1.902 20 5 DDBDRO CC(C)(O)C[N@@H+]1CCCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000372552581 418882670 /nfs/dbraw/zinc/88/26/70/418882670.db2.gz KESNRPZYJSJEDK-UHFFFAOYSA-N 1 0 307.394 1.873 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@]2(CCC[C@H]2[NH3+])C1 ZINC000365103654 418837388 /nfs/dbraw/zinc/83/73/88/418837388.db2.gz CYYNZLNAPMHQEH-ZBFHGGJFSA-N 1 0 319.361 1.947 20 5 DDBDRO C[C@H]1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000424021125 228220605 /nfs/dbraw/zinc/22/06/05/228220605.db2.gz TUDUUVHEUPVHGU-RYUDHWBXSA-N 1 0 306.366 1.450 20 5 DDBDRO [NH3+][C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C[C@H]1c1ccccc1F ZINC000424040017 228221985 /nfs/dbraw/zinc/22/19/85/228221985.db2.gz QBWHSCXPIONWQP-CMPLNLGQSA-N 1 0 318.308 1.629 20 5 DDBDRO [NH3+][C@@H]1C[C@@H]1C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000424120909 228230627 /nfs/dbraw/zinc/23/06/27/228230627.db2.gz HOAUSPWKGTXSAF-UONOGXRCSA-N 1 0 305.334 1.312 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CC[C@]23CCOC3)c1 ZINC000421041762 419465917 /nfs/dbraw/zinc/46/59/17/419465917.db2.gz YPJDGCDNRPXWOY-UKRRQHHQSA-N 1 0 308.334 1.199 20 5 DDBDRO COc1cc(C[NH2+][C@H](CO)[C@H]2CCCOC2)ccc1[N+](=O)[O-] ZINC000411983256 419542811 /nfs/dbraw/zinc/54/28/11/419542811.db2.gz FNJLTWVYIWAPBZ-QWHCGFSZSA-N 1 0 310.350 1.481 20 5 DDBDRO C[C@@H]1C[C@H](O)C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000412038602 419579299 /nfs/dbraw/zinc/57/92/99/419579299.db2.gz OSUXFJMZOKOXFF-RISCZKNCSA-N 1 0 307.350 1.626 20 5 DDBDRO C[NH2+]C[C@@H](C)CNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000418365273 419745042 /nfs/dbraw/zinc/74/50/42/419745042.db2.gz HUTHGCDQYFNOOF-LLVKDONJSA-N 1 0 308.382 1.985 20 5 DDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000418341074 419724762 /nfs/dbraw/zinc/72/47/62/419724762.db2.gz OJHWKHDZOFUTOT-LBPRGKRZSA-N 1 0 306.366 1.736 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NCCCN1CC[NH+](C)CC1 ZINC000299655989 229304688 /nfs/dbraw/zinc/30/46/88/229304688.db2.gz PNEAYXYMBUUSEC-UHFFFAOYSA-N 1 0 320.393 1.271 20 5 DDBDRO CC(C)[C@H](C(=O)NCCNc1ccccc1[N+](=O)[O-])[C@@H](C)[NH3+] ZINC000422935978 419974925 /nfs/dbraw/zinc/97/49/25/419974925.db2.gz LLJONKDJGLXJRH-RISCZKNCSA-N 1 0 308.382 1.742 20 5 DDBDRO CCOC(=O)c1cc(C(=O)NC[C@H]([NH3+])C2CC2)cc([N+](=O)[O-])c1 ZINC000423473184 420056422 /nfs/dbraw/zinc/05/64/22/420056422.db2.gz GXAZIOBAWYUMGH-ZDUSSCGKSA-N 1 0 321.333 1.239 20 5 DDBDRO COc1ccc(NC(=O)NC[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000415428546 420061433 /nfs/dbraw/zinc/06/14/33/420061433.db2.gz ACQCXQAMBDVPLX-JTQLQIEISA-N 1 0 308.338 1.725 20 5 DDBDRO CCOC(=O)c1cc(C(=O)NC[C@H](C)[NH2+]C)cc([N+](=O)[O-])c1 ZINC000423633696 420106953 /nfs/dbraw/zinc/10/69/53/420106953.db2.gz POBCBZKOYJXFQH-VIFPVBQESA-N 1 0 309.322 1.109 20 5 DDBDRO C[C@H](CC[NH3+])NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000415551774 420109350 /nfs/dbraw/zinc/10/93/50/420109350.db2.gz MDJYXVRAYDKBMK-SSDOTTSWSA-N 1 0 314.729 1.040 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000430556386 420136575 /nfs/dbraw/zinc/13/65/75/420136575.db2.gz ZAVUHKHSQLJKEM-NHYWBVRUSA-N 1 0 320.393 1.901 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CCC[NH2+]1 ZINC000415657284 420137079 /nfs/dbraw/zinc/13/70/79/420137079.db2.gz MBHJTUHMIAMAOZ-SNVBAGLBSA-N 1 0 308.338 1.867 20 5 DDBDRO CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000423828006 420212686 /nfs/dbraw/zinc/21/26/86/420212686.db2.gz PIDWZLNTOYTVHF-DZGCQCFKSA-N 1 0 318.377 1.509 20 5 DDBDRO CC(C)[C@H](C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1)[C@@H](C)[NH3+] ZINC000423833125 420215745 /nfs/dbraw/zinc/21/57/45/420215745.db2.gz ZJDBCFZFCDUPIE-YGRLFVJLSA-N 1 0 306.366 1.494 20 5 DDBDRO C[NH2+]C[C@H]1CCCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000430643487 420169183 /nfs/dbraw/zinc/16/91/83/420169183.db2.gz LZHFIUZQXROTIL-CYBMUJFWSA-N 1 0 320.393 1.489 20 5 DDBDRO C[C@@H]([NH3+])[C@H]1CCCCN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000430646230 420169837 /nfs/dbraw/zinc/16/98/37/420169837.db2.gz DRNWBZMVZHUZLP-IUODEOHRSA-N 1 0 320.393 1.759 20 5 DDBDRO C[NH2+]C[C@@H]1CCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000430972741 420229432 /nfs/dbraw/zinc/22/94/32/420229432.db2.gz UATYWFXPHZBUAV-RYUDHWBXSA-N 1 0 306.366 1.463 20 5 DDBDRO CC[NH+](CC)CCNc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000432128739 420241780 /nfs/dbraw/zinc/24/17/80/420241780.db2.gz HXICHTAHNDZIHF-UHFFFAOYSA-N 1 0 305.338 2.399 20 5 DDBDRO C[C@@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000440808217 229837929 /nfs/dbraw/zinc/83/79/29/229837929.db2.gz JZBNOTYIAHETDC-MFKMUULPSA-N 1 0 313.379 1.012 20 5 DDBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[NH2+]C[C@](C)(F)C1 ZINC000420339293 420219830 /nfs/dbraw/zinc/21/98/30/420219830.db2.gz SHBLWHNXZCWTJQ-ABAIWWIYSA-N 1 0 324.356 1.555 20 5 DDBDRO COC(=O)c1cc(C(=O)NCC2([NH+](C)C)CC2)cc([N+](=O)[O-])c1 ZINC000416287486 420308767 /nfs/dbraw/zinc/30/87/67/420308767.db2.gz DNKLCDZJDJXLRI-UHFFFAOYSA-N 1 0 321.333 1.205 20 5 DDBDRO Cc1cc(S(=O)(=O)N(C)CC[NH+](C)C)c(C)cc1[N+](=O)[O-] ZINC000416417732 420363371 /nfs/dbraw/zinc/36/33/71/420363371.db2.gz OFZPJMIHHGRRLK-UHFFFAOYSA-N 1 0 315.395 1.394 20 5 DDBDRO Cc1cc(S(=O)(=O)N[C@H](C[NH3+])C(C)(C)C)ccc1[N+](=O)[O-] ZINC000420445865 420291381 /nfs/dbraw/zinc/29/13/81/420291381.db2.gz GGKZTATWASYKJV-GFCCVEGCSA-N 1 0 315.395 1.555 20 5 DDBDRO Cc1ccc(S(=O)(=O)N[C@@H](C)CCC[NH3+])c([N+](=O)[O-])c1 ZINC000420451240 420295969 /nfs/dbraw/zinc/29/59/69/420295969.db2.gz YWGZZLTWRLXNKW-JTQLQIEISA-N 1 0 301.368 1.309 20 5 DDBDRO COc1ccc(C[NH2+][C@@H](C)C[C@H]2COCCN2)cc1[N+](=O)[O-] ZINC000422951209 533684023 /nfs/dbraw/zinc/68/40/23/533684023.db2.gz ZWAARSCEDWYBJX-AAEUAGOBSA-N 1 0 309.366 1.460 20 5 DDBDRO CC(C)(C[NH3+])NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000417713816 420459229 /nfs/dbraw/zinc/45/92/29/420459229.db2.gz HQOLXGQARPTIGX-UHFFFAOYSA-N 1 0 308.382 1.954 20 5 DDBDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000457092332 420610018 /nfs/dbraw/zinc/61/00/18/420610018.db2.gz XIGCBLCKNDSHMI-CYBMUJFWSA-N 1 0 321.377 1.915 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2cc(C(F)(F)F)n[nH]2)c1 ZINC000440613679 420591802 /nfs/dbraw/zinc/59/18/02/420591802.db2.gz NEIBJUVLJRYRMA-UHFFFAOYSA-N 1 0 304.232 1.323 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1CCC[C@]1(C)CO ZINC000492894860 420702281 /nfs/dbraw/zinc/70/22/81/420702281.db2.gz SKBKKRBTIIOARZ-GDBMZVCRSA-N 1 0 321.377 1.982 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC2(CCC2)[C@H]2COC[C@@H]21 ZINC000459657308 420840759 /nfs/dbraw/zinc/84/07/59/420840759.db2.gz FQDQOCPPLVNBHD-KBPBESRZSA-N 1 0 319.361 1.257 20 5 DDBDRO COc1cc(C[NH2+]CCc2cn(C)cn2)c([N+](=O)[O-])cc1O ZINC000459654304 420842203 /nfs/dbraw/zinc/84/22/03/420842203.db2.gz DZAWBWCNHFQKMR-UHFFFAOYSA-N 1 0 306.322 1.375 20 5 DDBDRO CCNC(=O)[C@H](C)[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447507886 420776306 /nfs/dbraw/zinc/77/63/06/420776306.db2.gz JDCDGBGSKIFKQL-SRVKXCTJSA-N 1 0 309.370 1.389 20 5 DDBDRO Cc1noc(CC[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)n1 ZINC000447579935 420783606 /nfs/dbraw/zinc/78/36/06/420783606.db2.gz MNDDHEJLDUTTMX-NWDGAFQWSA-N 1 0 320.353 1.799 20 5 DDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CN(C2CC2)CCO1 ZINC000449127042 420955008 /nfs/dbraw/zinc/95/50/08/420955008.db2.gz VOMQHAACEMMLCN-XJKSGUPXSA-N 1 0 319.405 1.979 20 5 DDBDRO C[C@@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])[C@H](C)[NH3+] ZINC000449584493 421032567 /nfs/dbraw/zinc/03/25/67/421032567.db2.gz DCDKTXJAFICTTH-YIZRAAEISA-N 1 0 315.757 1.867 20 5 DDBDRO C[C@@H]([NH3+])[C@@H](C)NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000449589613 421032840 /nfs/dbraw/zinc/03/28/40/421032840.db2.gz KDBVSNHXIIDXCU-NXEZZACHSA-N 1 0 303.322 1.246 20 5 DDBDRO CNC(=O)C[C@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000449598230 421034891 /nfs/dbraw/zinc/03/48/91/421034891.db2.gz BHYABKCHYJIIOX-QMMMGPOBSA-N 1 0 317.292 1.810 20 5 DDBDRO C[C@H]1[C@H](CO)CC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000488717124 421107373 /nfs/dbraw/zinc/10/73/73/421107373.db2.gz KGBTXMSTHOJIKE-JQWIXIFHSA-N 1 0 318.333 1.848 20 5 DDBDRO C[C@@H]1[C@@H](CO)CC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000488725761 421108274 /nfs/dbraw/zinc/10/82/74/421108274.db2.gz BDKBKHIBIKDFHE-VXGBXAGGSA-N 1 0 307.350 1.260 20 5 DDBDRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000456343861 421144772 /nfs/dbraw/zinc/14/47/72/421144772.db2.gz GTTOMRXRMQFSBP-CYBMUJFWSA-N 1 0 321.377 1.916 20 5 DDBDRO CC[C@H]1C[N@H+](CC)CCN1C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000456379835 421155371 /nfs/dbraw/zinc/15/53/71/421155371.db2.gz NISFKJVQZWTSBB-NSHDSACASA-N 1 0 308.338 1.252 20 5 DDBDRO O=[N+]([O-])c1cc(Cl)cnc1NC[C@@H]1CCC[N@H+]1CCCO ZINC000450594320 421214331 /nfs/dbraw/zinc/21/43/31/421214331.db2.gz KIICISMXHIRXGT-NSHDSACASA-N 1 0 314.773 1.902 20 5 DDBDRO CC(C)C[C@@H](C[NH+]1CCCC1)Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000450599783 421215133 /nfs/dbraw/zinc/21/51/33/421215133.db2.gz UBUGHNNOWYEXJN-NSHDSACASA-N 1 0 308.386 1.889 20 5 DDBDRO COc1ccc(CNc2cc[nH+]cc2C(N)=O)cc1[N+](=O)[O-] ZINC000545865536 421268002 /nfs/dbraw/zinc/26/80/02/421268002.db2.gz LSLLCYGGZISLFV-UHFFFAOYSA-N 1 0 302.290 1.131 20 5 DDBDRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000562817378 421417713 /nfs/dbraw/zinc/41/77/13/421417713.db2.gz LOKAMPSMFLVLNV-SMDDNHRTSA-N 1 0 318.377 1.661 20 5 DDBDRO Cn1ccc(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000562990897 421434793 /nfs/dbraw/zinc/43/47/93/421434793.db2.gz JKNFSUGZUKIWPL-CYBMUJFWSA-N 1 0 305.334 1.463 20 5 DDBDRO Cc1cc(S(=O)(=O)N[C@H](C)C[C@@H](C)[NH3+])c(C)cc1[N+](=O)[O-] ZINC000514678795 421446705 /nfs/dbraw/zinc/44/67/05/421446705.db2.gz VNCYDWZYLPVQIL-GHMZBOCLSA-N 1 0 315.395 1.616 20 5 DDBDRO C[C@H](C[C@H](C)[NH3+])NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000563127201 421459562 /nfs/dbraw/zinc/45/95/62/421459562.db2.gz WKVHUGRZGZTWME-VHSXEESVSA-N 1 0 301.368 1.140 20 5 DDBDRO C[N@@H+]1CC[C@@H](NC(=O)c2c[nH]nc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000548955260 421487894 /nfs/dbraw/zinc/48/78/94/421487894.db2.gz ZACBQHAHPAFBLT-CHWSQXEVSA-N 1 0 315.333 1.493 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H]2C[C@H]2c2ccccc2)c1 ZINC000563953553 421560048 /nfs/dbraw/zinc/56/00/48/421560048.db2.gz JISQMTGXQNWZGQ-SOUVJXGZSA-N 1 0 302.334 1.298 20 5 DDBDRO O=C(c1ccc([N+](=O)[O-])cn1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000531628941 421639931 /nfs/dbraw/zinc/63/99/31/421639931.db2.gz DVTMZJXXOUPEQY-ZDUSSCGKSA-N 1 0 304.350 1.690 20 5 DDBDRO CNc1nccc(C(=O)NCC[NH+]2CCCCCC2)c1[N+](=O)[O-] ZINC000552968817 421597911 /nfs/dbraw/zinc/59/79/11/421597911.db2.gz YPZORZYLPROFLS-UHFFFAOYSA-N 1 0 321.381 1.637 20 5 DDBDRO C[C@H](C(=O)NCCN1CCO[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000555307758 421674630 /nfs/dbraw/zinc/67/46/30/421674630.db2.gz MJODKWFAUMOQOM-OLZOCXBDSA-N 1 0 321.377 1.535 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)[C@H]1CC[NH2+]C1 ZINC000520231142 421742561 /nfs/dbraw/zinc/74/25/61/421742561.db2.gz FVWLRYJDUMFZTQ-ZDUSSCGKSA-N 1 0 306.366 1.526 20 5 DDBDRO CNc1ccc(C(=O)N(CCOC)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000520562552 421755686 /nfs/dbraw/zinc/75/56/86/421755686.db2.gz YWIQVYHPNSQUHT-UHFFFAOYSA-N 1 0 324.381 1.287 20 5 DDBDRO O=C(C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)NCC1CC1 ZINC000580991461 421875846 /nfs/dbraw/zinc/87/58/46/421875846.db2.gz GWYONRVRHDTWNW-QWHCGFSZSA-N 1 0 321.381 1.391 20 5 DDBDRO COc1ccc(CC(=O)NCCC[NH2+]C2CC2)cc1[N+](=O)[O-] ZINC000581013231 421883529 /nfs/dbraw/zinc/88/35/29/421883529.db2.gz YOKZZCQQIWYRSF-UHFFFAOYSA-N 1 0 307.350 1.404 20 5 DDBDRO C[C@H](CCC[NH3+])NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000582002435 422086251 /nfs/dbraw/zinc/08/62/51/422086251.db2.gz LBGUYBMLTJQVSG-SECBINFHSA-N 1 0 309.322 1.223 20 5 DDBDRO CC[NH2+][C@H](C)CNC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000584340352 422296939 /nfs/dbraw/zinc/29/69/39/422296939.db2.gz QWMWYKONJOMFNY-LLVKDONJSA-N 1 0 310.354 1.271 20 5 DDBDRO C[N@@H+]1C[C@@H](CNc2ncc([N+](=O)[O-])cn2)[C@H](c2ccccc2)C1 ZINC000591985362 422328494 /nfs/dbraw/zinc/32/84/94/422328494.db2.gz HKKDBBMYVBYAAR-HIFRSBDPSA-N 1 0 313.361 2.142 20 5 DDBDRO CC(C)C[N@H+](C)CCCNc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000593480077 422338401 /nfs/dbraw/zinc/33/84/01/422338401.db2.gz MBOSQXIAUGBJKY-UHFFFAOYSA-N 1 0 306.370 2.027 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H](O)[C@H]1C ZINC000590762473 422323283 /nfs/dbraw/zinc/32/32/83/422323283.db2.gz ZTSGLGRQVLBKBL-BXUZGUMPSA-N 1 0 307.350 1.687 20 5 DDBDRO CO[C@@H]([C@H](C)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000578436457 422567547 /nfs/dbraw/zinc/56/75/47/422567547.db2.gz UUPBBWBWGOHERE-GHJWDPDVSA-N 1 0 324.377 1.738 20 5 DDBDRO CCOCCNC(=O)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181828199 263370501 /nfs/dbraw/zinc/37/05/01/263370501.db2.gz JHEIAXCQGYTXCT-GFCCVEGCSA-N 1 0 309.366 1.707 20 5 DDBDRO C[C@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000237576647 263581918 /nfs/dbraw/zinc/58/19/18/263581918.db2.gz RBHCZDNACCXVFS-DTWKUNHWSA-N 1 0 319.408 1.547 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@]12CCOC2 ZINC000341956078 271258789 /nfs/dbraw/zinc/25/87/89/271258789.db2.gz SKIYNELTTRYQKY-CJNGLKHVSA-N 1 0 322.361 1.589 20 5 DDBDRO C[C@@H](Cn1cccn1)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000342361268 271389662 /nfs/dbraw/zinc/38/96/62/271389662.db2.gz SLDXVQHPEXUSQZ-STQMWFEESA-N 1 0 320.349 1.209 20 5 DDBDRO Cn1c(Sc2ccc([N+](=O)[O-])nc2)nnc1C1CC[NH2+]CC1 ZINC000344419352 272021198 /nfs/dbraw/zinc/02/11/98/272021198.db2.gz MPWIGHJVMWPBBU-UHFFFAOYSA-N 1 0 320.378 1.737 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)N[C@@H]2CCC[N@H+](C)[C@H]2C)c1[N+](=O)[O-] ZINC000345308425 272215406 /nfs/dbraw/zinc/21/54/06/272215406.db2.gz WZBOILMMRLHXGD-VHSXEESVSA-N 1 0 309.370 1.654 20 5 DDBDRO CNC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1cc(OC)c(O)cc1[N+](=O)[O-] ZINC000345850563 272349767 /nfs/dbraw/zinc/34/97/67/272349767.db2.gz LEXQMVQLYDZXLS-WDEREUQCSA-N 1 0 323.349 1.313 20 5 DDBDRO C[C@@H]([NH3+])[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000449586793 274237159 /nfs/dbraw/zinc/23/71/59/274237159.db2.gz IJWGVMJDPXLEOS-RNFRBKRXSA-N 1 0 316.155 1.823 20 5 DDBDRO C[C@@H]1C[NH2+][C@@H](C)CN1c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000420244622 274378750 /nfs/dbraw/zinc/37/87/50/274378750.db2.gz YTGBFJXMMUZKLR-VHSXEESVSA-N 1 0 303.322 1.831 20 5 DDBDRO C[C@H]([NH2+][C@@H](C)[C@H]1CCOC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000266268662 274518773 /nfs/dbraw/zinc/51/87/73/274518773.db2.gz AZILPVGSHVAWJW-SRVKXCTJSA-N 1 0 307.350 1.936 20 5 DDBDRO O=[N+]([O-])c1ccc(F)cc1CN1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000172940884 275035865 /nfs/dbraw/zinc/03/58/65/275035865.db2.gz XYVJLBNPFBYHTD-CYBMUJFWSA-N 1 0 323.368 1.888 20 5 DDBDRO O=[N+]([O-])c1cnc2ccc(N3CC[NH+](C4CCCC4)CC3)nn21 ZINC000301830076 275041641 /nfs/dbraw/zinc/04/16/41/275041641.db2.gz HFRJKAMDKPLPNH-UHFFFAOYSA-N 1 0 316.365 1.702 20 5 DDBDRO CC[NH+]1CCN([C@@H]2CCN(c3ccc(N)cc3[N+](=O)[O-])C2)CC1 ZINC000287222681 276199082 /nfs/dbraw/zinc/19/90/82/276199082.db2.gz ITYHSJKMISFBTO-CQSZACIVSA-N 1 0 319.409 1.393 20 5 DDBDRO CCS(=O)(=O)C[C@@H](C)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449138126 276388612 /nfs/dbraw/zinc/38/86/12/276388612.db2.gz HGWKBIXLHSDJMH-NWDGAFQWSA-N 1 0 314.407 1.939 20 5 DDBDRO C[N@@H+]1CCO[C@H]2CN(c3ccc4cc([N+](=O)[O-])ccc4n3)C[C@@H]21 ZINC000153110538 277131405 /nfs/dbraw/zinc/13/14/05/277131405.db2.gz LTIMTAYWLLBBPA-GJZGRUSLSA-N 1 0 314.345 1.662 20 5 DDBDRO CNC(=O)CC[N@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000170917241 277226151 /nfs/dbraw/zinc/22/61/51/277226151.db2.gz PCGKOUURVOSUAA-UHFFFAOYSA-N 1 0 309.366 1.950 20 5 DDBDRO C[NH2+]C[C@H]1CCN([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000430932428 277286498 /nfs/dbraw/zinc/28/64/98/277286498.db2.gz GMXMCQJDPABRRH-NWDGAFQWSA-N 1 0 306.366 1.463 20 5 DDBDRO C[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)[C@H]1COc2ccccc21 ZINC000185563826 278260505 /nfs/dbraw/zinc/26/05/05/278260505.db2.gz QPEKZPUWRAIGFH-WCQYABFASA-N 1 0 302.334 1.946 20 5 DDBDRO C[C@H]1[C@@H]([NH3+])CCN1c1ncc(Br)cc1[N+](=O)[O-] ZINC000261553922 278536368 /nfs/dbraw/zinc/53/63/68/278536368.db2.gz ONRCGGQAKBWQEI-XPUUQOCRSA-N 1 0 301.144 1.678 20 5 DDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC[NH2+]2)cc1OC ZINC000178737536 279948376 /nfs/dbraw/zinc/94/83/76/279948376.db2.gz XIRKNGJKFZNEQY-SNVBAGLBSA-N 1 0 323.349 1.484 20 5 DDBDRO C[N@@H+]1CCC[C@H]1CNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000125286807 281205833 /nfs/dbraw/zinc/20/58/33/281205833.db2.gz LJSJMAZWIYLTEW-ZDUSSCGKSA-N 1 0 318.377 1.757 20 5 DDBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2c2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000290732637 290241063 /nfs/dbraw/zinc/24/10/63/290241063.db2.gz GCQVBDUUNXUHKH-JQWIXIFHSA-N 1 0 319.365 1.009 20 5 DDBDRO Cn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)n1 ZINC000271451542 294308920 /nfs/dbraw/zinc/30/89/20/294308920.db2.gz VUBNUROXAZJKGF-GFCCVEGCSA-N 1 0 321.381 1.419 20 5 DDBDRO C[NH+](C)Cc1ccccc1C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000362945455 300185519 /nfs/dbraw/zinc/18/55/19/300185519.db2.gz SFJVGXFCVWVEQW-UHFFFAOYSA-N 1 0 317.349 1.283 20 5 DDBDRO Nc1ccc([N+](=O)[O-])c(N2CC[NH+]([C@H]3CCSC3)CC2)c1 ZINC000367169030 300808888 /nfs/dbraw/zinc/80/88/88/300808888.db2.gz AFRSMMHXMWFUIV-LBPRGKRZSA-N 1 0 308.407 1.805 20 5 DDBDRO CCC1(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)COC1 ZINC000574983392 304702481 /nfs/dbraw/zinc/70/24/81/304702481.db2.gz IVVXKVKJAGKYAP-ZDUSSCGKSA-N 1 0 310.350 1.351 20 5 DDBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N[C@@H]1CC12CC[NH2+]CC2 ZINC000368382885 301015557 /nfs/dbraw/zinc/01/55/57/301015557.db2.gz BEXNHBBVJOEWED-CQSZACIVSA-N 1 0 303.362 1.786 20 5 DDBDRO CC[C@H](C(=O)N1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1)[NH+](C)C ZINC000368411468 301021662 /nfs/dbraw/zinc/02/16/62/301021662.db2.gz IAEKNOBUSRWOBN-WCQYABFASA-N 1 0 309.370 1.295 20 5 DDBDRO C[N@@H+]1CCC[C@@H](N2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000369353102 301170368 /nfs/dbraw/zinc/17/03/68/301170368.db2.gz BLYCICCETVHSGG-QGZVFWFLSA-N 1 0 318.421 1.807 20 5 DDBDRO C[C@H](CN1CCOCC1)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000369494863 301190804 /nfs/dbraw/zinc/19/08/04/301190804.db2.gz VHHITHKQHGVRQI-CYBMUJFWSA-N 1 0 323.397 1.149 20 5 DDBDRO O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3C[C@@H](O)C[C@@H]3CO)o2)c1 ZINC000370385923 301328142 /nfs/dbraw/zinc/32/81/42/301328142.db2.gz HLDKAWJFYPQMRQ-KGLIPLIRSA-N 1 0 318.329 1.782 20 5 DDBDRO Cc1ccc(NCCCNC(=O)NC[C@H](C)C[NH3+])c([N+](=O)[O-])c1 ZINC000417720799 301646946 /nfs/dbraw/zinc/64/69/46/301646946.db2.gz SDOSAZGFWCCUSM-GFCCVEGCSA-N 1 0 323.397 1.599 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]2C[NH2+]CCC[C@@H]21 ZINC000373558633 301707484 /nfs/dbraw/zinc/70/74/84/301707484.db2.gz CGQWRLAIYYIMHZ-WFASDCNBSA-N 1 0 318.377 1.902 20 5 DDBDRO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000378191882 302289602 /nfs/dbraw/zinc/28/96/02/302289602.db2.gz KQKGOSWRBYHIBV-YHWZYXNKSA-N 1 0 319.361 1.844 20 5 DDBDRO Cc1cc(N2CC[C@@H](O)[C@@H](CO)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000396825622 302350048 /nfs/dbraw/zinc/35/00/48/302350048.db2.gz BOZBDUUJFOXXOP-BDJLRTHQSA-N 1 0 317.345 1.631 20 5 DDBDRO O=C(NCC1C[NH2+]C1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000397723356 302355829 /nfs/dbraw/zinc/35/58/29/302355829.db2.gz CDEPQNCDEPUNNP-UHFFFAOYSA-N 1 0 314.139 1.307 20 5 DDBDRO COc1cccc(C(=O)N2CC[C@@H](OC)C[C@@H]2C[NH3+])c1[N+](=O)[O-] ZINC000518756387 302829705 /nfs/dbraw/zinc/82/97/05/302829705.db2.gz HLJMEXBIANWYQQ-GHMZBOCLSA-N 1 0 323.349 1.182 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000530819581 303214037 /nfs/dbraw/zinc/21/40/37/303214037.db2.gz WOBPIFUDQADKAG-ZDUSSCGKSA-N 1 0 320.393 1.737 20 5 DDBDRO COc1ccc(CC(=O)N2CC[N@H+](C)[C@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000536608799 303365529 /nfs/dbraw/zinc/36/55/29/303365529.db2.gz RRAFJVGRAVLPBN-NEPJUHHUSA-N 1 0 321.377 1.697 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@H](c3ccncn3)C2)n1 ZINC000363428955 307027827 /nfs/dbraw/zinc/02/78/27/307027827.db2.gz FNFJTZQLRHZKIQ-LBPRGKRZSA-N 1 0 302.338 1.461 20 5 DDBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000365357350 307065934 /nfs/dbraw/zinc/06/59/34/307065934.db2.gz NATMPWLLBDMTLC-UKRRQHHQSA-N 1 0 303.362 1.738 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH+]1CC2(C1)CCCOC2 ZINC000367489783 307095329 /nfs/dbraw/zinc/09/53/29/307095329.db2.gz LMVRDHWHKGOKTG-ZDUSSCGKSA-N 1 0 322.361 1.447 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000372893836 307175696 /nfs/dbraw/zinc/17/56/96/307175696.db2.gz WIQAPXKLZHSXNV-ZWNOBZJWSA-N 1 0 323.324 1.323 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000372894233 307175709 /nfs/dbraw/zinc/17/57/09/307175709.db2.gz YCCJGENSGILAKK-UHFFFAOYSA-N 1 0 319.361 1.914 20 5 DDBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000377338465 307268004 /nfs/dbraw/zinc/26/80/04/307268004.db2.gz YCTJHUXKIQDTBD-DZYGNGBISA-N 1 0 301.346 1.676 20 5 DDBDRO Cc1cc(S(=O)(=O)N(C)C2CC([NH3+])C2)c(C)cc1[N+](=O)[O-] ZINC000564471495 307998005 /nfs/dbraw/zinc/99/80/05/307998005.db2.gz QJKOYPNAVRLJPU-UHFFFAOYSA-N 1 0 313.379 1.322 20 5 DDBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3ncccc3O)C2)nc1 ZINC000565976313 308039904 /nfs/dbraw/zinc/03/99/04/308039904.db2.gz AWDCFFKUPHWXLH-NSHDSACASA-N 1 0 315.333 1.777 20 5 DDBDRO CCC1(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])COC1 ZINC000566122045 308044398 /nfs/dbraw/zinc/04/43/98/308044398.db2.gz WGMRQGNDZFUSLY-UHFFFAOYSA-N 1 0 307.350 1.940 20 5 DDBDRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000567102827 308071219 /nfs/dbraw/zinc/07/12/19/308071219.db2.gz QVBCCOZBXFUEBQ-CABZTGNLSA-N 1 0 321.333 1.236 20 5 DDBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCN1CCC(O)CC1 ZINC000569867662 308152164 /nfs/dbraw/zinc/15/21/64/308152164.db2.gz MXJCNSCZLCSTOG-HNNXBMFYSA-N 1 0 305.378 1.628 20 5 DDBDRO COc1ccc(CNC(=O)N[C@@H](C)C[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000576872360 308345683 /nfs/dbraw/zinc/34/56/83/308345683.db2.gz ZOCHBJTYTLTYLI-ZJUUUORDSA-N 1 0 310.354 1.528 20 5 DDBDRO CC[C@H](O)CC[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000576876732 308346313 /nfs/dbraw/zinc/34/63/13/308346313.db2.gz VKICSLVAZWHMLT-LBPRGKRZSA-N 1 0 316.379 1.119 20 5 DDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H]2C[C@H]3C[C@H]3C2)cc1 ZINC000577172274 308367623 /nfs/dbraw/zinc/36/76/23/308367623.db2.gz NZKPBXRZSITQCZ-ZSBIGDGJSA-N 1 0 310.375 1.757 20 5 DDBDRO COc1cc(CC[NH2+]CC2(O)CCC2)c([N+](=O)[O-])cc1OC ZINC000577254911 308373954 /nfs/dbraw/zinc/37/39/54/308373954.db2.gz UJCDXZBFXUOEKR-UHFFFAOYSA-N 1 0 310.350 1.659 20 5 DDBDRO CCc1ccc(S(=O)(=O)NCCn2ccnc2)cc1[N+](=O)[O-] ZINC000582357351 326018151 /nfs/dbraw/zinc/01/81/51/326018151.db2.gz ROERYRAHOSZNML-UHFFFAOYSA-N 1 0 324.362 1.332 20 5 DDBDRO CC[N@H+](C)C[C@H](O)CN(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000582367942 326020589 /nfs/dbraw/zinc/02/05/89/326020589.db2.gz NJISUZKRKDJBQY-HNNXBMFYSA-N 1 0 307.394 1.872 20 5 DDBDRO CSC[C@@H](C)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000583626421 336002630 /nfs/dbraw/zinc/00/26/30/336002630.db2.gz RCHKUGIYGCRNMP-MNOVXSKESA-N 1 0 300.380 1.676 20 5 DDBDRO COCCN1CC[C@@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000582795786 337169147 /nfs/dbraw/zinc/16/91/47/337169147.db2.gz AYEUKEDAFNURSV-IUODEOHRSA-N 1 0 305.378 1.892 20 5 DDBDRO C[C@H](Cn1ccnc1)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000583019450 337225606 /nfs/dbraw/zinc/22/56/06/337225606.db2.gz DCPCEJRVYUOCJA-GFCCVEGCSA-N 1 0 317.349 1.798 20 5 DDBDRO CNc1ccc(C(=O)N2CCC[C@H](CC[NH3+])C2)cc1[N+](=O)[O-] ZINC000583321288 337315522 /nfs/dbraw/zinc/31/55/22/337315522.db2.gz YDTWICFETGIDAJ-LLVKDONJSA-N 1 0 306.366 1.838 20 5 DDBDRO [NH3+][C@@H](CNC(=O)NCCOc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000584458920 337343803 /nfs/dbraw/zinc/34/38/03/337343803.db2.gz AQCLJLOISFRYJZ-ZDUSSCGKSA-N 1 0 308.338 1.010 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000452344048 534333797 /nfs/dbraw/zinc/33/37/97/534333797.db2.gz CEPBCOXNDTVKRL-AWEZNQCLSA-N 1 0 321.377 1.480 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H]1CCOC1(C)C ZINC000451241626 534338393 /nfs/dbraw/zinc/33/83/93/534338393.db2.gz JWHGHHALQAERNX-ZDUSSCGKSA-N 1 0 307.350 1.999 20 5 DDBDRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000449613650 534570553 /nfs/dbraw/zinc/57/05/53/534570553.db2.gz CKRSIBCRWUGNAB-FVGKDHOHSA-N 1 0 319.361 1.606 20 5 DDBDRO [NH3+]C[C@@H](NC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)C1CC1 ZINC000418456215 534664194 /nfs/dbraw/zinc/66/41/94/534664194.db2.gz HOFYJUVJGYSZCD-CQSZACIVSA-N 1 0 320.349 1.105 20 5 DDBDRO C[C@H](C[NH+](C)C)Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000168940120 524291517 /nfs/dbraw/zinc/29/15/17/524291517.db2.gz JRQZXXLIIDIWBV-SECBINFHSA-N 1 0 301.368 1.360 20 5 DDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)[C@H](C[NH3+])C1CC1 ZINC000159932104 525930974 /nfs/dbraw/zinc/93/09/74/525930974.db2.gz MKRJTSAIKHDUDL-GFCCVEGCSA-N 1 0 313.379 1.261 20 5 DDBDRO CC(C)(C[NH+]1CCCC1)NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000452099679 527080510 /nfs/dbraw/zinc/08/05/10/527080510.db2.gz XTSYPQYAFCDCQJ-UHFFFAOYSA-N 1 0 320.393 1.658 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000154398279 527313363 /nfs/dbraw/zinc/31/33/63/527313363.db2.gz DWVCBCMWPDXPEA-DOMZBBRYSA-N 1 0 318.377 1.855 20 5 DDBDRO CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000422747687 527896917 /nfs/dbraw/zinc/89/69/17/527896917.db2.gz ZJJNHARPLCVGQU-UONOGXRCSA-N 1 0 307.350 1.021 20 5 DDBDRO CCC[NH+]1CCN(C(=O)CCn2cc([N+](=O)[O-])nc2C)CC1 ZINC000299598144 528238784 /nfs/dbraw/zinc/23/87/84/528238784.db2.gz GSYQWQGKLQGCRM-UHFFFAOYSA-N 1 0 309.370 1.044 20 5 DDBDRO CC[NH2+]CCNC(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-] ZINC000417715598 528313728 /nfs/dbraw/zinc/31/37/28/528313728.db2.gz KHIIMXKHHCWJHY-UHFFFAOYSA-N 1 0 323.397 1.614 20 5 DDBDRO CCCC[NH+]1CCC(NC(=O)c2[nH]nc(C)c2[N+](=O)[O-])CC1 ZINC000299537433 528462000 /nfs/dbraw/zinc/46/20/00/528462000.db2.gz GHFABLLRPAZMLP-UHFFFAOYSA-N 1 0 309.370 1.621 20 5 DDBDRO CCCc1n[nH]c(C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000330890007 528548304 /nfs/dbraw/zinc/54/83/04/528548304.db2.gz BPXYYFSFWDHXDO-VHSXEESVSA-N 1 0 309.370 1.483 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000422839735 528692344 /nfs/dbraw/zinc/69/23/44/528692344.db2.gz AGRLZVGPGWGMTH-GHMZBOCLSA-N 1 0 307.350 1.803 20 5 DDBDRO CCOC(=O)CN(C)C(=O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296665715 528784860 /nfs/dbraw/zinc/78/48/60/528784860.db2.gz GBZJYWUHHSMIKD-NSHDSACASA-N 1 0 323.349 1.267 20 5 DDBDRO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000424042566 529130814 /nfs/dbraw/zinc/13/08/14/529130814.db2.gz PWVWMEDFOCNCSK-ZDUSSCGKSA-N 1 0 306.366 1.773 20 5 DDBDRO CC[C@@H]([NH2+]C[C@H](O)Cn1ccnn1)c1cccc([N+](=O)[O-])c1 ZINC000414178797 529179303 /nfs/dbraw/zinc/17/93/03/529179303.db2.gz KFWRWNWYDVTUJK-UONOGXRCSA-N 1 0 305.338 1.288 20 5 DDBDRO CC[C@H]1CN(CC[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)CCO1 ZINC000487158055 529294448 /nfs/dbraw/zinc/29/44/48/529294448.db2.gz MCHLTNMGIHXZOU-AWEZNQCLSA-N 1 0 323.393 1.804 20 5 DDBDRO O=[N+]([O-])c1ccc(Br)c(CN2CC[NH2+]CC2)c1 ZINC000675056458 563910165 /nfs/dbraw/zinc/91/01/65/563910165.db2.gz QMBXIHRKSUJRAM-UHFFFAOYSA-N 1 0 300.156 1.763 20 5 DDBDRO CC[N@H+](CCNc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])C(C)C ZINC000736536540 598352674 /nfs/dbraw/zinc/35/26/74/598352674.db2.gz LBECYSCQPOIHKU-UHFFFAOYSA-N 1 0 319.369 1.917 20 5 DDBDRO C[C@@H](CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])N1CCc2sccc2C1 ZINC000107491127 696631047 /nfs/dbraw/zinc/63/10/47/696631047.db2.gz PVHDRJFKGMYCEI-MVWJERBFSA-N 1 0 309.391 1.276 20 5 DDBDRO CC(C)(C)C(=O)NC[C@@H]1CCCN(Cn2cc([N+](=O)[O-])cn2)C1 ZINC000112695057 696652060 /nfs/dbraw/zinc/65/20/60/696652060.db2.gz GTOSBTPTRJINSA-LBPRGKRZSA-N 1 0 323.397 1.623 20 5 DDBDRO COc1ccccc1OCC[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000176213668 697403130 /nfs/dbraw/zinc/40/31/30/697403130.db2.gz GPLUCOGAFNFJCG-UHFFFAOYSA-N 1 0 320.349 1.811 20 5 DDBDRO CC(C)(C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)N1CCOCC1 ZINC000749637583 700174858 /nfs/dbraw/zinc/17/48/58/700174858.db2.gz BWESJIKXCOUZFK-OAHLLOKOSA-N 1 0 323.393 1.329 20 5 DDBDRO O=C1CCCN1CCC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776272461 698090127 /nfs/dbraw/zinc/09/01/27/698090127.db2.gz TXNBYCSNGHLSSO-CQSZACIVSA-N 1 0 307.350 1.230 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCSC[C@H]2CCO)cc1 ZINC000776585904 698122084 /nfs/dbraw/zinc/12/20/84/698122084.db2.gz CTBGIDVLTUBFEA-KGLIPLIRSA-N 1 0 312.391 1.428 20 5 DDBDRO C[C@H]([NH3+])[C@H]1CCCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000261946612 698446583 /nfs/dbraw/zinc/44/65/83/698446583.db2.gz MJVFCLJORCZAHF-JQWIXIFHSA-N 1 0 306.366 1.253 20 5 DDBDRO COc1ccc(C(=O)N[C@@H](C[NH3+])C2CCCC2)cc1[N+](=O)[O-] ZINC000262452964 698470412 /nfs/dbraw/zinc/47/04/12/698470412.db2.gz HZHMFKLXXSMBAG-LBPRGKRZSA-N 1 0 307.350 1.851 20 5 DDBDRO COCCO[C@@H]1CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000781961836 698666410 /nfs/dbraw/zinc/66/64/10/698666410.db2.gz JQDUYENKQWAOEK-CABCVRRESA-N 1 0 310.350 1.366 20 5 DDBDRO Cc1nn(CN2CC[N@H+](C3CCOCC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000782914319 698784119 /nfs/dbraw/zinc/78/41/19/698784119.db2.gz SNVONUHHIOPWHE-GFCCVEGCSA-N 1 0 323.397 1.242 20 5 DDBDRO CCCc1n[nH]c(C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)c1[N+](=O)[O-] ZINC000424023265 699147405 /nfs/dbraw/zinc/14/74/05/699147405.db2.gz FJWPWKLCQBBFAB-AWEZNQCLSA-N 1 0 307.354 1.239 20 5 DDBDRO COc1cc(C(=O)N2CC[C@]3(CCC[NH2+]3)C2)ccc1[N+](=O)[O-] ZINC000424031550 699147579 /nfs/dbraw/zinc/14/75/79/699147579.db2.gz SQCFKGHNEAGTGV-OAHLLOKOSA-N 1 0 305.334 1.572 20 5 DDBDRO CC[NH+](CC)CCS(=O)(=O)Oc1ccc(C)cc1[N+](=O)[O-] ZINC000786949199 699181951 /nfs/dbraw/zinc/18/19/51/699181951.db2.gz VVEBBGXJSAZILX-UHFFFAOYSA-N 1 0 316.379 1.954 20 5 DDBDRO CC[C@H](CO)[NH2+][C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000737387116 699739340 /nfs/dbraw/zinc/73/93/40/699739340.db2.gz KYICRECKFYREMA-NXEZZACHSA-N 1 0 311.338 1.291 20 5 DDBDRO O=[N+]([O-])c1ccc(-c2noc(C[NH2+][C@H](CCO)C3CC3)n2)cc1 ZINC000763062252 700923383 /nfs/dbraw/zinc/92/33/83/700923383.db2.gz AKIRXLVWORKMFB-CYBMUJFWSA-N 1 0 318.333 1.895 20 5 DDBDRO COc1ccc(NC(=O)CC[NH2+][C@H](CO)C2CC2)c([N+](=O)[O-])c1 ZINC000763084122 700924914 /nfs/dbraw/zinc/92/49/14/700924914.db2.gz MVCIEAHKEHJSCU-CYBMUJFWSA-N 1 0 323.349 1.293 20 5 DDBDRO CC[C@@H](C(=O)OCCn1c(C)ncc1[N+](=O)[O-])[NH+](CC)CC ZINC000765968362 701032626 /nfs/dbraw/zinc/03/26/26/701032626.db2.gz XRLIHRNXGXJIPG-LBPRGKRZSA-N 1 0 312.370 1.763 20 5 DDBDRO C[NH+](C)C1(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCC1 ZINC000769627114 701250829 /nfs/dbraw/zinc/25/08/29/701250829.db2.gz ZTYZQTDNKJOAKF-UHFFFAOYSA-N 1 0 317.349 1.572 20 5 DDBDRO Cc1nn(CCC(=O)OCC[NH+]2CCCCC2)c(C)c1[N+](=O)[O-] ZINC000770360566 701275346 /nfs/dbraw/zinc/27/53/46/701275346.db2.gz PDZIHXFQIBLNNM-UHFFFAOYSA-N 1 0 324.381 1.827 20 5 DDBDRO O=Cc1ccc(OCC(=O)OCCn2ccnc2)c([N+](=O)[O-])c1 ZINC000771958019 701338484 /nfs/dbraw/zinc/33/84/84/701338484.db2.gz JGCJJWKOKYPJLM-UHFFFAOYSA-N 1 0 319.273 1.226 20 5 DDBDRO NC(=O)C1([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CCCC1 ZINC000839521903 701723507 /nfs/dbraw/zinc/72/35/07/701723507.db2.gz YIXLAOXZBAIJKY-UHFFFAOYSA-N 1 0 320.349 1.311 20 5 DDBDRO C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N(C)C)C1CC[NH2+]CC1 ZINC000868001744 701885681 /nfs/dbraw/zinc/88/56/81/701885681.db2.gz LNWMDXUKNSIDNM-LLVKDONJSA-N 1 0 320.393 1.779 20 5 DDBDRO CC[C@@H]1C[N@H+](C)CCN1Cn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000840093263 701965355 /nfs/dbraw/zinc/96/53/55/701965355.db2.gz IZTDFTPIHRKOCW-LLVKDONJSA-N 1 0 320.349 1.486 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000868149074 701965704 /nfs/dbraw/zinc/96/57/04/701965704.db2.gz SWIGQOZYYJLNSN-YPMHNXCESA-N 1 0 320.349 1.962 20 5 DDBDRO CN(C[C@@H]1CCC[N@@H+]1C)S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000817151531 702290824 /nfs/dbraw/zinc/29/08/24/702290824.db2.gz SVKOOZSOFVUZIF-VIFPVBQESA-N 1 0 319.408 1.371 20 5 DDBDRO C[C@H]1CC[N@H+](CCNC(=O)Cc2cccc(F)c2[N+](=O)[O-])C1 ZINC000866271485 706662177 /nfs/dbraw/zinc/66/21/77/706662177.db2.gz MCNYLOYVFFBFGW-NSHDSACASA-N 1 0 309.341 1.734 20 5 DDBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1CCCN(C)C1=O ZINC000866278899 706663067 /nfs/dbraw/zinc/66/30/67/706663067.db2.gz BSOJMJJWGZBFMD-ZWNOBZJWSA-N 1 0 309.341 1.875 20 5 DDBDRO COC[C@@H](O)CC[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866312390 706671138 /nfs/dbraw/zinc/67/11/38/706671138.db2.gz MOUXNHLUZSVVEJ-MFKMUULPSA-N 1 0 300.330 1.652 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N(C)C1CCC([NH3+])CC1 ZINC000818529247 702660685 /nfs/dbraw/zinc/66/06/85/702660685.db2.gz FOKWNXNRQUAYNR-UHFFFAOYSA-N 1 0 307.350 1.945 20 5 DDBDRO C[NH+](C)CCOc1ccc(-c2noc([C@@H]3CC3[N+](=O)[O-])n2)cc1 ZINC000842489041 702728415 /nfs/dbraw/zinc/72/84/15/702728415.db2.gz XOKFBQMMFVQGGB-CHWSQXEVSA-N 1 0 318.333 1.810 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CC[C@@H](O)C(F)(F)F)c1 ZINC000843073864 702813727 /nfs/dbraw/zinc/81/37/27/702813727.db2.gz VDICNVNRDRRJER-GHMZBOCLSA-N 1 0 308.256 1.531 20 5 DDBDRO CC[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@H](O)C(F)(F)F ZINC000843090522 702816975 /nfs/dbraw/zinc/81/69/75/702816975.db2.gz YIIPTUIKWHBWPV-TUAOUCFPSA-N 1 0 322.283 1.920 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(Cc2noc(C[C@@H]3CCC[NH2+]3)n2)c1 ZINC000843222868 702845209 /nfs/dbraw/zinc/84/52/09/702845209.db2.gz LRNRMEFALUQKJE-NSHDSACASA-N 1 0 318.333 1.872 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000843292543 702855341 /nfs/dbraw/zinc/85/53/41/702855341.db2.gz AIDCLFKBJLFDGZ-UHFFFAOYSA-N 1 0 308.294 1.247 20 5 DDBDRO CC[NH2+]CCNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000843332745 702861393 /nfs/dbraw/zinc/86/13/93/702861393.db2.gz JWGRFWWSGRNSDG-UHFFFAOYSA-N 1 0 303.721 1.656 20 5 DDBDRO CCON(C)C(=O)C[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000846064981 703233260 /nfs/dbraw/zinc/23/32/60/703233260.db2.gz PGOIWTSFYAAPLR-XYOKQWHBSA-N 1 0 307.350 1.998 20 5 DDBDRO Cc1cc(F)cc(C(=O)N[C@H](C[NH3+])C(F)(F)F)c1[N+](=O)[O-] ZINC000848437688 703550450 /nfs/dbraw/zinc/55/04/50/703550450.db2.gz CUFMGZMDTCWGEE-MRVPVSSYSA-N 1 0 309.219 1.662 20 5 DDBDRO O=[N+]([O-])c1ccc(Cc2noc([C@H]3C[C@@]34CCC[NH2+]C4)n2)nc1 ZINC000848624184 703569683 /nfs/dbraw/zinc/56/96/83/703569683.db2.gz RKYRFWMMZQJDSW-IUODEOHRSA-N 1 0 315.333 1.821 20 5 DDBDRO CCOCCCNC(=[NH2+])NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000848996256 703608615 /nfs/dbraw/zinc/60/86/15/703608615.db2.gz NHOQPLGHYPZUPO-UHFFFAOYSA-N 1 0 310.354 1.644 20 5 DDBDRO O=C(CN1C[C@H]2CC[C@@H](C1)[NH2+]2)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000866680783 706762640 /nfs/dbraw/zinc/76/26/40/706762640.db2.gz MPXVESIQFXHBRI-PHIMTYICSA-N 1 0 324.768 1.623 20 5 DDBDRO CN(CCC[NH+]1CCCC1)C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000831722853 706762756 /nfs/dbraw/zinc/76/27/56/706762756.db2.gz HBLUDDTUMRUNNU-HNNXBMFYSA-N 1 0 321.377 1.573 20 5 DDBDRO CCO[C@H](CNC(=O)CNc1ccccc1[N+](=O)[O-])C[NH+](C)C ZINC000831757846 706773154 /nfs/dbraw/zinc/77/31/54/706773154.db2.gz SRELRXCYQXVRPZ-GFCCVEGCSA-N 1 0 324.381 1.090 20 5 DDBDRO COC[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CCOCC1 ZINC000852321459 704012526 /nfs/dbraw/zinc/01/25/26/704012526.db2.gz OIVKOBWKZXLACW-HOTGVXAUSA-N 1 0 324.377 1.659 20 5 DDBDRO COc1ncccc1C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818947477 704032128 /nfs/dbraw/zinc/03/21/28/704032128.db2.gz NUPURXCYSJJDAX-AWEZNQCLSA-N 1 0 303.318 1.822 20 5 DDBDRO CCNC(=O)N1CC[C@@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819160933 704078524 /nfs/dbraw/zinc/07/85/24/704078524.db2.gz NUAIJFIRMIYMBX-TZMCWYRMSA-N 1 0 322.365 1.022 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[NH2+]C[C@@H](O)c2cc(F)ccc2F)c1 ZINC000819177791 704082131 /nfs/dbraw/zinc/08/21/31/704082131.db2.gz VYHJQXGEORLTLA-CYBMUJFWSA-N 1 0 312.276 1.393 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@H]2COC3(CCCC3)O2)cc1 ZINC000819204281 704086161 /nfs/dbraw/zinc/08/61/61/704086161.db2.gz BARJMTFKCSBWEQ-LSDHHAIUSA-N 1 0 322.361 1.904 20 5 DDBDRO CC(=O)N1CCC[C@H](C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819276456 704099356 /nfs/dbraw/zinc/09/93/56/704099356.db2.gz LZNMRNDDTBPAGJ-CZUORRHYSA-N 1 0 321.377 1.476 20 5 DDBDRO O=C(C=C1CC[NH2+]CC1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000852888964 704162562 /nfs/dbraw/zinc/16/25/62/704162562.db2.gz LUCISOIABVPZPI-UHFFFAOYSA-N 1 0 302.334 1.184 20 5 DDBDRO O=C(Cc1ccccc1[N+](=O)[O-])NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000870977223 704188417 /nfs/dbraw/zinc/18/84/17/704188417.db2.gz JFALLNPNAUUZHT-UBSAEIQESA-N 1 0 303.362 1.784 20 5 DDBDRO Cc1noc(CON=C(N)C[NH+]2CCCCCC2)c1[N+](=O)[O-] ZINC000853665858 704295839 /nfs/dbraw/zinc/29/58/39/704295839.db2.gz DQQONVMSDGEBKT-UHFFFAOYSA-N 1 0 311.342 1.766 20 5 DDBDRO Nc1ccc(N2CCC([N@@H+]3CC[C@H](O)C3)CC2)c([N+](=O)[O-])c1 ZINC000853964790 704341571 /nfs/dbraw/zinc/34/15/71/704341571.db2.gz APXVDNZTLNQIOM-ZDUSSCGKSA-N 1 0 306.366 1.212 20 5 DDBDRO C[NH+](C)CC1CN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000821010487 704359104 /nfs/dbraw/zinc/35/91/04/704359104.db2.gz ZBVYPFXHCRCTSI-UHFFFAOYSA-N 1 0 309.341 1.687 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000821030224 704361858 /nfs/dbraw/zinc/36/18/58/704361858.db2.gz CPCSHHBHTPMPND-HNNXBMFYSA-N 1 0 321.381 1.044 20 5 DDBDRO CCN(C(=O)c1cc([N+](=O)[O-])c(F)cc1N)[C@@H]1CC[N@H+](CC)C1 ZINC000855490729 704487562 /nfs/dbraw/zinc/48/75/62/704487562.db2.gz KOJNWZXLZVHLCQ-SNVBAGLBSA-N 1 0 324.356 1.872 20 5 DDBDRO CCn1ncc(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)n1 ZINC000858444783 704712101 /nfs/dbraw/zinc/71/21/01/704712101.db2.gz RDYKDIZRJVWWFE-CHWSQXEVSA-N 1 0 319.369 1.676 20 5 DDBDRO CON(C)C(=O)[C@H](C)[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000858579831 704729607 /nfs/dbraw/zinc/72/96/07/704729607.db2.gz ULTXVSIZAGNFEY-NEPJUHHUSA-N 1 0 309.366 1.914 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCC2(C[NH+](C)C2)C1 ZINC000822461604 704953552 /nfs/dbraw/zinc/95/35/52/704953552.db2.gz ASHIQRMWFRRUIR-UHFFFAOYSA-N 1 0 303.362 1.989 20 5 DDBDRO Cc1cc(Cc2noc(C[C@H]3COCC[NH2+]3)n2)ccc1[N+](=O)[O-] ZINC000822863689 705063630 /nfs/dbraw/zinc/06/36/30/705063630.db2.gz RXQCWMWUZWZNBQ-LBPRGKRZSA-N 1 0 318.333 1.408 20 5 DDBDRO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)OCC[NH+]1CCC1 ZINC000861388250 705454849 /nfs/dbraw/zinc/45/48/49/705454849.db2.gz IFOPFAASLPGKCG-UHFFFAOYSA-N 1 0 303.318 1.868 20 5 DDBDRO CCN(C(=O)c1cc([N+](=O)[O-])ccc1N)C1CC[NH+](C)CC1 ZINC000861892771 705597048 /nfs/dbraw/zinc/59/70/48/705597048.db2.gz RPGIKKZOGVRIAO-UHFFFAOYSA-N 1 0 306.366 1.733 20 5 DDBDRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)COc3ccc([N+](=O)[O-])c(F)c3)C[C@H]21 ZINC000861910259 705601414 /nfs/dbraw/zinc/60/14/14/705601414.db2.gz HJDICHHWVNWQDS-HBYGRHMLSA-N 1 0 323.324 1.131 20 5 DDBDRO CN(C(=O)[C@@](C)(N)c1cccc([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000876805572 705884999 /nfs/dbraw/zinc/88/49/99/705884999.db2.gz DVDGWIJCFOYRMY-INIZCTEOSA-N 1 0 320.393 1.321 20 5 DDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@@H](CO)c3cccc(F)c3)C2)c1 ZINC000877035228 705967403 /nfs/dbraw/zinc/96/74/03/705967403.db2.gz FDSBIRYYZQEYJZ-PIMMBPRGSA-N 1 0 320.324 1.957 20 5 DDBDRO Cc1nc([N+](=O)[O-])c(-c2noc([C@H](F)[C@@H]3CC[NH2+]C3)n2)n1C ZINC000863671775 705982550 /nfs/dbraw/zinc/98/25/50/705982550.db2.gz AFQLQUSWVXZXMR-HTQZYQBOSA-N 1 0 310.289 1.307 20 5 DDBDRO O=[N+]([O-])c1c(N[C@@H](CO)C[NH+]2CCCCC2)nc2ccccn21 ZINC000828162416 706130771 /nfs/dbraw/zinc/13/07/71/706130771.db2.gz CCRDHPGUHKJZNE-GFCCVEGCSA-N 1 0 319.365 1.501 20 5 DDBDRO C[C@@H](Cc1cnn(C)c1)[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877570307 706145482 /nfs/dbraw/zinc/14/54/82/706145482.db2.gz HIVSADKABIRDRK-PKSQDBQZSA-N 1 0 304.354 1.449 20 5 DDBDRO CN(CC[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)CC(F)F ZINC000877662687 706173015 /nfs/dbraw/zinc/17/30/15/706173015.db2.gz XMXTYDCURLDITN-UHFFFAOYSA-N 1 0 303.313 1.281 20 5 DDBDRO CC[N@@H+]1CC[C@H]1CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000877892711 706233559 /nfs/dbraw/zinc/23/35/59/706233559.db2.gz CKHQCDFIYVNJEA-NSHDSACASA-N 1 0 308.338 1.819 20 5 DDBDRO Cn1nccc1[C@@H](CO)NCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000878702469 706473433 /nfs/dbraw/zinc/47/34/33/706473433.db2.gz KZXIGUDTYVVTDZ-LLVKDONJSA-N 1 0 310.741 1.805 20 5 DDBDRO CC(C)(O)[C@H]1CC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000880138960 706888228 /nfs/dbraw/zinc/88/82/28/706888228.db2.gz JGQOKTFDKRDWDK-GXTWGEPZSA-N 1 0 324.377 1.427 20 5 DDBDRO C[NH+](C)C1(CS(=O)(=O)Oc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000867114458 706900807 /nfs/dbraw/zinc/90/08/07/706900807.db2.gz CMAWJEGTRCLZIQ-UHFFFAOYSA-N 1 0 318.326 1.537 20 5 DDBDRO C[C@@H]1CN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])[C@@H](C)C[N@@H+]1C ZINC000867147789 706909250 /nfs/dbraw/zinc/90/92/50/706909250.db2.gz OJTOCWCQVJXYPU-MNOVXSKESA-N 1 0 309.341 1.827 20 5 DDBDRO CC(=O)N1C[C@@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C[C@@H]2C1 ZINC000880311451 706937490 /nfs/dbraw/zinc/93/74/90/706937490.db2.gz GWXILTCYYRUIMN-BETUJISGSA-N 1 0 307.325 1.644 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCC2(CCCCO2)CC1 ZINC000880456180 706980499 /nfs/dbraw/zinc/98/04/99/706980499.db2.gz GCIGXXZVVNZDCI-UHFFFAOYSA-N 1 0 321.377 1.792 20 5 DDBDRO C[C@@H]([NH2+]CC1CC2(C1)OCCO2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000927001023 712930117 /nfs/dbraw/zinc/93/01/17/712930117.db2.gz KZONJRMFECXWIO-SNVBAGLBSA-N 1 0 307.350 1.981 20 5 DDBDRO COC[C@@H](C)OC[C@H](O)C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000872230950 707339837 /nfs/dbraw/zinc/33/98/37/707339837.db2.gz ASBARUGRHANRIS-TZMCWYRMSA-N 1 0 312.366 1.405 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(C(=O)NOCC[NH+](C)C)cc1Cl ZINC000836790750 707516011 /nfs/dbraw/zinc/51/60/11/707516011.db2.gz KIPWIZSSTMESJE-UHFFFAOYSA-N 1 0 301.730 1.780 20 5 DDBDRO O=[N+]([O-])c1c(F)nccc1N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000882636705 707726826 /nfs/dbraw/zinc/72/68/26/707726826.db2.gz WCUYRQSATSUNSL-NSHDSACASA-N 1 0 310.329 1.164 20 5 DDBDRO C/C=C/C[C@H](CO)[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000883090111 707922746 /nfs/dbraw/zinc/92/27/46/707922746.db2.gz CGNSGSZXCHETKL-QAVQXKDTSA-N 1 0 308.334 1.783 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H]1C[C@H](S(C)(=O)=O)C1 ZINC000883381109 707988617 /nfs/dbraw/zinc/98/86/17/707988617.db2.gz GPNSXDIUHFTZCJ-HAQNSBGRSA-N 1 0 312.391 1.877 20 5 DDBDRO Cc1cc(CC[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)nn1C ZINC000896818676 708155353 /nfs/dbraw/zinc/15/53/53/708155353.db2.gz GNDFXMYKGJZWNM-UHFFFAOYSA-N 1 0 304.354 1.369 20 5 DDBDRO C[N@@H+]1C[C@@H]2CN(c3ncnc4sc([N+](=O)[O-])cc43)C[C@]2(C)C1 ZINC000896913470 708181075 /nfs/dbraw/zinc/18/10/75/708181075.db2.gz RBCRTCRPNRSOIP-OTYXRUKQSA-N 1 0 319.390 1.987 20 5 DDBDRO CC1(C)C[NH2+]C[C@@H]1C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000884323399 708244493 /nfs/dbraw/zinc/24/44/93/708244493.db2.gz NLYCOCSQRCLPFH-GFCCVEGCSA-N 1 0 321.381 1.200 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000897220808 708258822 /nfs/dbraw/zinc/25/88/22/708258822.db2.gz DKFGEXUUIIZGCJ-CVEARBPZSA-N 1 0 305.378 1.939 20 5 DDBDRO CCO[C@@H]1CN(C(=O)c2c(C)c(C)ccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000884386598 708274874 /nfs/dbraw/zinc/27/48/74/708274874.db2.gz UTLCXHZALUGQPD-TZMCWYRMSA-N 1 0 321.377 1.647 20 5 DDBDRO C[C@@H](C[NH2+]C1CCS(=O)(=O)CC1)c1ccccc1[N+](=O)[O-] ZINC000897461700 708338777 /nfs/dbraw/zinc/33/87/77/708338777.db2.gz VSADYKHQDDCWPD-NSHDSACASA-N 1 0 312.391 1.865 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3CC34CC(O)C4)CC2)cn1 ZINC000897843702 708467803 /nfs/dbraw/zinc/46/78/03/708467803.db2.gz GLKCRKGEHYDMPL-NPCAHTBFSA-N 1 0 318.377 1.462 20 5 DDBDRO COC(=O)c1cc(C(=O)OCCC[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000912594200 713041290 /nfs/dbraw/zinc/04/12/90/713041290.db2.gz NXSHQZLSTSEWRT-UHFFFAOYSA-N 1 0 310.306 1.490 20 5 DDBDRO O=[N+]([O-])c1ncccc1CN1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000885985948 708676360 /nfs/dbraw/zinc/67/63/60/708676360.db2.gz VJCDJOWUYUPUFX-KBPBESRZSA-N 1 0 306.366 1.021 20 5 DDBDRO CCN(CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000886854311 708865034 /nfs/dbraw/zinc/86/50/34/708865034.db2.gz JDIOUDMEWQKETA-GFCCVEGCSA-N 1 0 306.366 1.607 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000899936887 709243449 /nfs/dbraw/zinc/24/34/49/709243449.db2.gz JFNRWHOERAFCPU-INIZCTEOSA-N 1 0 321.377 1.997 20 5 DDBDRO COc1ccc(C(=O)N2CCC([NH+]3CCC3)CC2)cc1[N+](=O)[O-] ZINC000912884594 713114091 /nfs/dbraw/zinc/11/40/91/713114091.db2.gz OOWCHLKWAKVZEP-UHFFFAOYSA-N 1 0 319.361 1.914 20 5 DDBDRO O=C(c1cccc([N+](=O)[O-])c1)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889780163 709631585 /nfs/dbraw/zinc/63/15/85/709631585.db2.gz IPIMDYMXYREFAD-CABCVRRESA-N 1 0 319.361 1.266 20 5 DDBDRO O=C(c1ccccc1[N+](=O)[O-])N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889783127 709634083 /nfs/dbraw/zinc/63/40/83/709634083.db2.gz VLWISJJKFTVIRV-GJZGRUSLSA-N 1 0 319.361 1.266 20 5 DDBDRO COc1cc(C(=O)N2CC[C@@H]([NH+]3CCC3)C2)cc([N+](=O)[O-])c1C ZINC000912910538 713121368 /nfs/dbraw/zinc/12/13/68/713121368.db2.gz PGHRHYUPTTZNRR-CYBMUJFWSA-N 1 0 319.361 1.832 20 5 DDBDRO C[C@@H](NC(=O)[C@@H](C)C[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000928250157 713157377 /nfs/dbraw/zinc/15/73/77/713157377.db2.gz YXANKEPDCRYUFO-QWHCGFSZSA-N 1 0 321.377 1.740 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000892139541 710378968 /nfs/dbraw/zinc/37/89/68/710378968.db2.gz BPMDOUBKXKEKCH-UHFFFAOYSA-N 1 0 323.397 1.267 20 5 DDBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H]1C[NH2+]CC1(C)C ZINC000902445880 710757047 /nfs/dbraw/zinc/75/70/47/710757047.db2.gz NCPKVORKZZBPKK-SMDDNHRTSA-N 1 0 320.393 1.900 20 5 DDBDRO CC[N@@H+]1CC[C@H]1CNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000893872508 710867388 /nfs/dbraw/zinc/86/73/88/710867388.db2.gz KVXNSPKRHFFLFQ-LBPRGKRZSA-N 1 0 307.350 1.574 20 5 DDBDRO O=C(NCC[C@@H]1CC[NH2+]C1)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000911775460 710978490 /nfs/dbraw/zinc/97/84/90/710978490.db2.gz PKKDMABGMAHXBA-TUKIKUTGSA-N 1 0 303.362 1.814 20 5 DDBDRO CC[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000894686702 711238314 /nfs/dbraw/zinc/23/83/14/711238314.db2.gz ARUBDDFGDXGKMP-VXGBXAGGSA-N 1 0 310.350 1.902 20 5 DDBDRO CCc1nn(C)c(N2C[C@]3(C)C[NH+](C)C[C@@]3(C)C2)c1[N+](=O)[O-] ZINC000894798066 711275188 /nfs/dbraw/zinc/27/51/88/711275188.db2.gz SPSDODZHYQXBTC-GJZGRUSLSA-N 1 0 307.398 1.669 20 5 DDBDRO [NH3+]C[C@]12CC[C@@H]1CCCN2C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000903806317 711286279 /nfs/dbraw/zinc/28/62/79/711286279.db2.gz VLGIKPOWCMOQIS-NUEKZKHPSA-N 1 0 305.378 1.832 20 5 DDBDRO C[C@]1(NC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C[NH+]2CCC1CC2 ZINC000912374599 711298928 /nfs/dbraw/zinc/29/89/28/711298928.db2.gz NYHCKZRYFIPOGF-HOCLYGCPSA-N 1 0 319.361 1.229 20 5 DDBDRO C[NH+](C)CC1(O)CCN(c2c(Cl)cncc2[N+](=O)[O-])CC1 ZINC000894954464 711337321 /nfs/dbraw/zinc/33/73/21/711337321.db2.gz CZUYOYHHNAWABT-UHFFFAOYSA-N 1 0 314.773 1.536 20 5 DDBDRO CCOc1cc(N2CC[C@](O)(C[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000895008559 711365138 /nfs/dbraw/zinc/36/51/38/711365138.db2.gz ABQIVBQMUIRRLU-HNNXBMFYSA-N 1 0 309.366 1.496 20 5 DDBDRO C[C@H](Nc1ncc(Cl)cc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCN1C ZINC000895247512 711464759 /nfs/dbraw/zinc/46/47/59/711464759.db2.gz VFFJIHKBBUNXPW-JOYOIKCWSA-N 1 0 313.789 1.689 20 5 DDBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2NC[C@@H]1CC[N@@H+]1C ZINC000895768859 711600818 /nfs/dbraw/zinc/60/08/18/711600818.db2.gz JMSSXCJBCQFUFA-JTQLQIEISA-N 1 0 302.334 1.690 20 5 DDBDRO CC(C)(C(=O)NC12CC[NH+](CC1)C2)c1ccc([N+](=O)[O-])cc1 ZINC000913629543 713272238 /nfs/dbraw/zinc/27/22/38/713272238.db2.gz CTMZIWDQIPHWEM-UHFFFAOYSA-N 1 0 303.362 1.837 20 5 DDBDRO C[N@@H+]1C[C@@H]2CN(Cn3ncc4cc([N+](=O)[O-])ccc43)C[C@]2(C)C1 ZINC000904438508 711858591 /nfs/dbraw/zinc/85/85/91/711858591.db2.gz YBSWIZPPMCRYRK-CJNGLKHVSA-N 1 0 315.377 1.786 20 5 DDBDRO C[C@@H]1[C@@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCN1C ZINC000905541885 712071507 /nfs/dbraw/zinc/07/15/07/712071507.db2.gz RSCNPFHJVJSBJV-KYOSRNDESA-N 1 0 309.366 1.017 20 5 DDBDRO O=C([C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000906627900 712373749 /nfs/dbraw/zinc/37/37/49/712373749.db2.gz QRSFPTVYWHAYLK-SJXGUFTOSA-N 1 0 315.373 1.766 20 5 DDBDRO C[N@@H+]1CCC[C@H](NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000918395546 713541487 /nfs/dbraw/zinc/54/14/87/713541487.db2.gz PUHJOSZXAQVVJL-LBPRGKRZSA-N 1 0 317.349 1.155 20 5 DDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=S)NC1CC[NH+](C)CC1 ZINC000920308983 713660605 /nfs/dbraw/zinc/66/06/05/713660605.db2.gz LEJCWGYWSGXQDR-UHFFFAOYSA-N 1 0 322.434 1.995 20 5 DDBDRO C[N@@H+]1CC[C@@H](CNC(=O)CCc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000930362938 713814415 /nfs/dbraw/zinc/81/44/15/713814415.db2.gz BRWGXFRXUQWHDD-NSHDSACASA-N 1 0 309.341 1.734 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]Cc2cnn(CCF)c2)cc1 ZINC000921703938 713848617 /nfs/dbraw/zinc/84/86/17/713848617.db2.gz DUVGEPYXHFQNGR-AWEZNQCLSA-N 1 0 308.313 1.584 20 5 DDBDRO Cc1cncc([N+](=O)[O-])c1NC(=O)N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC000930875002 713947548 /nfs/dbraw/zinc/94/75/48/713947548.db2.gz KCVVRENKVGTVFO-ABAIWWIYSA-N 1 0 319.365 1.136 20 5 DDBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000931044509 713989769 /nfs/dbraw/zinc/98/97/69/713989769.db2.gz NNODNCYMAIEMTG-DOMZBBRYSA-N 1 0 320.393 1.948 20 5 DDBDRO COC1(OC)CCN(Cc2ccc(C)c([N+](=O)[O-])c2)C[C@H]1O ZINC000931631376 714143100 /nfs/dbraw/zinc/14/31/00/714143100.db2.gz DPCXFXYSHJYKNR-CQSZACIVSA-N 1 0 310.350 1.459 20 5 DDBDRO O=[N+]([O-])c1cnn(CCN2CCc3nc[nH]c3C23CCC3)c1 ZINC000931679005 714159185 /nfs/dbraw/zinc/15/91/85/714159185.db2.gz RTHAIVWUPJMRLA-UHFFFAOYSA-N 1 0 302.338 1.452 20 5 DDBDRO C[C@@H]([NH2+]CC(=O)N1CCO[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000932183648 714281229 /nfs/dbraw/zinc/28/12/29/714281229.db2.gz VGJJWKRDCATLBX-VXGBXAGGSA-N 1 0 307.350 1.493 20 5 DDBDRO CCCN(C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CC[NH2+]C1 ZINC000923287729 714298323 /nfs/dbraw/zinc/29/83/23/714298323.db2.gz VYEPHGZWBAPTHU-LSDHHAIUSA-N 1 0 323.393 1.408 20 5 DDBDRO CCOC(=O)[C@@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000932648671 714376326 /nfs/dbraw/zinc/37/63/26/714376326.db2.gz ZOGASRYZLCEIQH-GFCCVEGCSA-N 1 0 308.334 1.859 20 5 DDBDRO CO[C@@H]1CC[C@H]1[N@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000934131118 714751369 /nfs/dbraw/zinc/75/13/69/714751369.db2.gz KBRRFIBMVMTPOZ-BPLDGKMQSA-N 1 0 310.350 1.444 20 5 DDBDRO C[NH+](C)[C@@H]1CCCN(c2c(Cl)[n+]([O-])ccc2[N+](=O)[O-])C1 ZINC001165039656 721892101 /nfs/dbraw/zinc/89/21/01/721892101.db2.gz PBHDTIJSSOLZOE-SECBINFHSA-N 1 0 300.746 1.412 20 5 DDBDRO C[NH+](C)[C@H]1CCCN(c2cc([N+](=O)[O-])cc(Cl)[n+]2[O-])C1 ZINC001165040324 721893191 /nfs/dbraw/zinc/89/31/91/721893191.db2.gz VUWRIZKKCKHEKI-VIFPVBQESA-N 1 0 300.746 1.412 20 5 DDBDRO Cc1ncc(C[NH3+])c(=N)n1-c1ccc2cnccc2c1[N+](=O)[O-] ZINC001167675887 735383641 /nfs/dbraw/zinc/38/36/41/735383641.db2.gz RXCMHGSNQDUNGF-UHFFFAOYSA-N 1 0 310.317 1.575 20 5 DDBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)c1cn[nH]c1 ZINC001021863917 733627128 /nfs/dbraw/zinc/62/71/28/733627128.db2.gz UGSBVCQNFDPTTB-BETUJISGSA-N 1 0 315.333 1.369 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CC[C@@H]2C[N@H+](C)C[C@@H]12 ZINC001121197460 782403773 /nfs/dbraw/zinc/40/37/73/782403773.db2.gz ASSVUBAEDOONDS-LERXQTSPSA-N 1 0 319.361 1.673 20 5 DDBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccc(Cl)cc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001022063967 734368581 /nfs/dbraw/zinc/36/85/81/734368581.db2.gz RFNFJEQGEWNMBC-XJFOESAGSA-N 1 0 323.780 1.742 20 5 DDBDRO N=C(Nc1cc([N+](=O)[O-])cc(Br)n1)SCC[NH3+] ZINC001167915378 739342537 /nfs/dbraw/zinc/34/25/37/739342537.db2.gz UDVUBQMUSRYALV-UHFFFAOYSA-N 1 0 320.172 1.791 20 5 DDBDRO CC(C)(F)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC001025648519 736808895 /nfs/dbraw/zinc/80/88/95/736808895.db2.gz GFVVBBUBJHSXIK-WDNDVIMCSA-N 1 0 321.352 1.889 20 5 DDBDRO Cc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cc1C ZINC001020140107 736999368 /nfs/dbraw/zinc/99/93/68/736999368.db2.gz YSNDLVZKMIXAQD-KLHDSHLOSA-N 1 0 317.389 1.705 20 5 DDBDRO CN1CCc2c(-n3ccc(CC[NH3+])n3)ccc([N+](=O)[O-])c2C1 ZINC001167731511 737216833 /nfs/dbraw/zinc/21/68/33/737216833.db2.gz JSWBTJQOYDAGQN-UHFFFAOYSA-N 1 0 301.350 1.270 20 5 DDBDRO COC(=O)Cc1ccc(NC2(C)CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC001168188462 741772899 /nfs/dbraw/zinc/77/28/99/741772899.db2.gz XKFJPJAYNNZZBT-UHFFFAOYSA-N 1 0 307.350 1.864 20 5 DDBDRO O=C(NC1CC[NH+](Cc2cccc(F)c2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001002784271 743422989 /nfs/dbraw/zinc/42/29/89/743422989.db2.gz AEEBZWPUBRJGML-HUUCEWRRSA-N 1 0 321.352 1.572 20 5 DDBDRO Cc1noc(C)c1C[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001002783960 743426000 /nfs/dbraw/zinc/42/60/00/743426000.db2.gz WUJFGEJMQICJOY-TZMCWYRMSA-N 1 0 322.365 1.037 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(NC2(CNC(=O)CC[NH+](C)C)CC2)n1 ZINC001110325419 743772781 /nfs/dbraw/zinc/77/27/81/743772781.db2.gz OSXBRCWHAVCHEC-UHFFFAOYSA-N 1 0 321.381 1.311 20 5 DDBDRO CC1(C)C[NH2+]C[C@@H]1c1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001212181665 744125672 /nfs/dbraw/zinc/12/56/72/744125672.db2.gz PPQIJPDNZAPSKE-MRVPVSSYSA-N 1 0 307.285 1.892 20 5 DDBDRO CCN(CCNc1ncccc1[N+](=O)[O-])C(=O)C[NH+](CC)CC ZINC001106776182 746058717 /nfs/dbraw/zinc/05/87/17/746058717.db2.gz VWTYZNQHABVTMF-UHFFFAOYSA-N 1 0 323.397 1.592 20 5 DDBDRO Cc1cc(C[NH+]2CC(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cs1 ZINC001031663378 747338287 /nfs/dbraw/zinc/33/82/87/747338287.db2.gz YDMUWAXFSWREBR-CHWSQXEVSA-N 1 0 309.391 1.270 20 5 DDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([NH2+]CC2CC(F)(F)C2)CC1 ZINC000996428695 749586203 /nfs/dbraw/zinc/58/62/03/749586203.db2.gz GISPTZPSVXXJTI-VXGBXAGGSA-N 1 0 317.336 1.278 20 5 DDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC2(CC[N@H+](CCC3CC3)C2)CC1 ZINC001035186894 751287538 /nfs/dbraw/zinc/28/75/38/751287538.db2.gz KITKVBRXZYNTIJ-HUUCEWRRSA-N 1 0 321.421 1.766 20 5 DDBDRO COc1ccc(C2([NH2+][C@H]3CC[C@@H](C[N+](=O)[O-])C3)COC2)cc1 ZINC001168974674 762163902 /nfs/dbraw/zinc/16/39/02/762163902.db2.gz SFTMDLWUYUSCCQ-OCCSQVGLSA-N 1 0 306.362 1.956 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CC2(c3cnccn3)CCOCC2)C1 ZINC001168991971 762165953 /nfs/dbraw/zinc/16/59/53/762165953.db2.gz IONGPHWASFGSJA-KGLIPLIRSA-N 1 0 320.393 1.560 20 5 DDBDRO CC1(N2CCOCC2)CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169039268 762193643 /nfs/dbraw/zinc/19/36/43/762193643.db2.gz OZBOMVPYPYDUQL-CABCVRRESA-N 1 0 311.426 1.619 20 5 DDBDRO Cc1cc(C)c(-n2cncc2C[C@@H]([NH3+])CO)c(C)c1[N+](=O)[O-] ZINC001169073945 762221110 /nfs/dbraw/zinc/22/11/10/762221110.db2.gz OHDXHFNPDLVASO-GFCCVEGCSA-N 1 0 304.350 1.568 20 5 DDBDRO CC1(C)CC(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001017543885 758011934 /nfs/dbraw/zinc/01/19/34/758011934.db2.gz HOXBROLXJCIRMW-LXTVHRRPSA-N 1 0 321.421 1.763 20 5 DDBDRO C[C@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000823693113 758344571 /nfs/dbraw/zinc/34/45/71/758344571.db2.gz ZBGVVTRUEWHCJU-STQMWFEESA-N 1 0 323.397 1.513 20 5 DDBDRO C[NH+](C)CCC(C)(C)Nc1ccc([N+](=O)[O-])c2c1CNC2=O ZINC001169718001 762622136 /nfs/dbraw/zinc/62/21/36/762622136.db2.gz MCGSVEGLSDTBLH-UHFFFAOYSA-N 1 0 306.366 1.980 20 5 DDBDRO C[C@H](NC(=O)c1ccc([N+](=O)[O-])s1)[C@@H]1C[N@H+](C)CCN1C ZINC000829053680 759871468 /nfs/dbraw/zinc/87/14/68/759871468.db2.gz IYNZNMKFPPTZES-UWVGGRQHSA-N 1 0 312.395 1.020 20 5 DDBDRO Cc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cc1 ZINC001086082686 760941514 /nfs/dbraw/zinc/94/15/14/760941514.db2.gz ZOZKVARHBUEGAT-QKPAOTATSA-N 1 0 317.389 1.645 20 5 DDBDRO O=[N+]([O-])c1cnc(NC[C@@H]2COCC[NH2+]2)c(C(F)(F)F)c1 ZINC001170042203 764331943 /nfs/dbraw/zinc/33/19/43/764331943.db2.gz ALVMRWRFCWXSCO-SSDOTTSWSA-N 1 0 306.244 1.409 20 5 DDBDRO O=[N+]([O-])c1cc(Br)nc(NC[C@H]2COCC[NH2+]2)c1 ZINC001170043636 764346738 /nfs/dbraw/zinc/34/67/38/764346738.db2.gz JKNYTRYOSYVJOH-ZETCQYMHSA-N 1 0 317.143 1.153 20 5 DDBDRO COC(=O)c1c(C)c([N+](=O)[O-])ccc1N[C@@H](C)[C@H]1C[NH2+]CCO1 ZINC001170574645 768224582 /nfs/dbraw/zinc/22/45/82/768224582.db2.gz NGUWGOQPWWDAIS-GXFFZTMASA-N 1 0 323.349 1.479 20 5 DDBDRO O=C(NCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1csc(=O)[nH]1 ZINC001132643835 769062220 /nfs/dbraw/zinc/06/22/20/769062220.db2.gz JWFXMRYLTSAGBR-UHFFFAOYSA-N 1 0 322.346 1.277 20 5 DDBDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001135813382 771731725 /nfs/dbraw/zinc/73/17/25/771731725.db2.gz DGQGAANPVMIXPO-NSHDSACASA-N 1 0 321.381 1.566 20 5 DDBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N[C@H]1CC[NH2+]C[C@H]1C(F)(F)F ZINC001160738168 772674824 /nfs/dbraw/zinc/67/48/24/772674824.db2.gz JTQNDBVKHVBVOJ-BDAKNGLRSA-N 1 0 320.271 1.489 20 5 DDBDRO Cc1conc1C(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001146833289 772960292 /nfs/dbraw/zinc/96/02/92/772960292.db2.gz ANHJJTXUSBMFNL-UHFFFAOYSA-N 1 0 304.306 1.411 20 5 DDBDRO COc1ncc([N+](=O)[O-])c(-n2c(CC[NH3+])cc3ccccc32)n1 ZINC001171301380 773087524 /nfs/dbraw/zinc/08/75/24/773087524.db2.gz MJUTZOOCLOCLHI-UHFFFAOYSA-N 1 0 313.317 1.839 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(N(C)CCNC(=O)CCC[NH+](C)C)c1 ZINC001100286687 773946869 /nfs/dbraw/zinc/94/68/69/773946869.db2.gz JZARTMURRRAVAL-UHFFFAOYSA-N 1 0 322.409 1.797 20 5 DDBDRO O=C(CCC[NH+]1CCCC1)NCCNc1ccc([N+](=O)[O-])cc1 ZINC001093671080 774984948 /nfs/dbraw/zinc/98/49/48/774984948.db2.gz NNYFAVIPUAFWOD-UHFFFAOYSA-N 1 0 320.393 1.999 20 5 DDBDRO O=C(NCCNc1ccc(F)cc1[N+](=O)[O-])C12CC[NH+](CC1)C2 ZINC001093769040 775066188 /nfs/dbraw/zinc/06/61/88/775066188.db2.gz VGFSHZRCRDYPHU-UHFFFAOYSA-N 1 0 322.340 1.358 20 5 DDBDRO CC[N@H+](C)CCC(=O)NCCNc1cc(C)ccc1[N+](=O)[O-] ZINC001093840577 775125389 /nfs/dbraw/zinc/12/53/89/775125389.db2.gz NWLURGPNMIGIMH-UHFFFAOYSA-N 1 0 308.382 1.773 20 5 DDBDRO CCC[N@H+](C)CC(=O)NCCCNc1ccc([N+](=O)[O-])cn1 ZINC001094517416 775975713 /nfs/dbraw/zinc/97/57/13/775975713.db2.gz QFDHKZWRZPEUIL-UHFFFAOYSA-N 1 0 309.370 1.250 20 5 DDBDRO O=C1N[C@@H]2C[N@H+](CCc3ccc([N+](=O)[O-])cc3)CC[C@H]2CO1 ZINC001171741012 776460114 /nfs/dbraw/zinc/46/01/14/776460114.db2.gz KBELJIDDBYYVGO-GXTWGEPZSA-N 1 0 305.334 1.568 20 5 DDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCN2C(=O)COC[C@H]2C1 ZINC001173235015 777064458 /nfs/dbraw/zinc/06/44/58/777064458.db2.gz VRLCJZFGPUTVIN-SWLSCSKDSA-N 1 0 319.361 1.069 20 5 DDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCN2C(=O)COC[C@H]2C1 ZINC001173235014 777065277 /nfs/dbraw/zinc/06/52/77/777065277.db2.gz VRLCJZFGPUTVIN-IUODEOHRSA-N 1 0 319.361 1.069 20 5 DDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCCS(C)(=O)=O ZINC001173212588 777067374 /nfs/dbraw/zinc/06/73/74/777067374.db2.gz BGODVPSTBOMCNJ-LLVKDONJSA-N 1 0 300.380 1.550 20 5 DDBDRO COCCC[NH+]1CCC(Nc2c(C)cncc2[N+](=O)[O-])CC1 ZINC001116729190 780550007 /nfs/dbraw/zinc/55/00/07/780550007.db2.gz MWNHIRKGJIOVMM-UHFFFAOYSA-N 1 0 308.382 1.633 20 5 DDBDRO C[NH+](C)C[C@@H](CO)Nc1c2cc(Cl)ccc2ncc1[N+](=O)[O-] ZINC001120039957 781734879 /nfs/dbraw/zinc/73/48/79/781734879.db2.gz OMKXQAVTXSFXOL-JTQLQIEISA-N 1 0 324.768 1.553 20 5 DDBDRO CC(C)(C)OC(=O)NC[C@H]1CCCC[C@H]1[NH2+]CC[N+](=O)[O-] ZINC001120354169 781890501 /nfs/dbraw/zinc/89/05/01/781890501.db2.gz CEEBRWBTOBSVOE-VXGBXAGGSA-N 1 0 301.387 1.936 20 5 DDBDRO CC(C)OCC(=O)N(C)CC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001271977763 844254222 /nfs/dbraw/zinc/25/42/22/844254222.db2.gz VAEIUMYHPZETDO-UHFFFAOYSA-N 1 0 323.393 1.910 20 5 DDBDRO C[NH2+][C@@H](C)CCNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000124264286 861278154 /nfs/dbraw/zinc/27/81/54/861278154.db2.gz YIUDHWCOQDMIHS-QMMMGPOBSA-N 1 0 305.331 1.010 20 5 DDBDRO CC[C@@]1(c2nc(Cc3ccc([N+](=O)[O-])cn3)no2)CC[NH2+]C1 ZINC001326513809 861420548 /nfs/dbraw/zinc/42/05/48/861420548.db2.gz WZNAQRREDCHOPE-CQSZACIVSA-N 1 0 303.322 1.605 20 5 DDBDRO CCc1coc(CNc2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)n1 ZINC001154780767 861447814 /nfs/dbraw/zinc/44/78/14/861447814.db2.gz WTNFJGZDMSCPKF-UHFFFAOYSA-N 1 0 304.310 1.234 20 5 DDBDRO CSc1nc(Cl)nc(-n2cnc(C[NH3+])c2)c1[N+](=O)[O-] ZINC001154910229 861559937 /nfs/dbraw/zinc/55/99/37/861559937.db2.gz YPSXOEZJECHEFT-UHFFFAOYSA-N 1 0 300.731 1.405 20 5 DDBDRO C[NH+](C)[C@@H]1C[C@@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC001299818109 845765944 /nfs/dbraw/zinc/76/59/44/845765944.db2.gz IUYAJRDECWFFKQ-ZIAGYGMSSA-N 1 0 321.377 1.819 20 5 DDBDRO O=C([C@H]1C[C@@]12CCC[NH2+]C2)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001326784630 861608684 /nfs/dbraw/zinc/60/86/84/861608684.db2.gz XMMTWUYPGRFJTA-NVXWUHKLSA-N 1 0 315.373 1.869 20 5 DDBDRO Cc1nc(Cl)nc(-n2cncc2C2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001155053094 861683418 /nfs/dbraw/zinc/68/34/18/861683418.db2.gz KWJNPHODJVPUAV-UHFFFAOYSA-N 1 0 322.756 1.999 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@H](N3CC(C[NH3+])C3)C2)n1 ZINC001155376218 862010961 /nfs/dbraw/zinc/01/09/61/862010961.db2.gz KQAKIQSQKNFLRQ-AWEZNQCLSA-N 1 0 319.409 1.466 20 5 DDBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N[C@H]2COCCC23C[NH2+]C3)n1 ZINC001155460822 862109529 /nfs/dbraw/zinc/10/95/29/862109529.db2.gz BGOSHDHJPAEPNG-QMMMGPOBSA-N 1 0 313.745 1.137 20 5 DDBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N[C@@H]2COCCC23C[NH2+]C3)n1 ZINC001155460892 862112186 /nfs/dbraw/zinc/11/21/86/862112186.db2.gz DDYQUGZMQUTHKM-SNVBAGLBSA-N 1 0 312.757 1.742 20 5 DDBDRO O=[N+]([O-])c1cc(Cl)cc(NCC[C@@H]2CCOC23C[NH2+]C3)n1 ZINC001155476876 862132539 /nfs/dbraw/zinc/13/25/39/862132539.db2.gz IMSCWZXUYNJKQX-SECBINFHSA-N 1 0 312.757 1.824 20 5 DDBDRO Cc1cc(N[C@@H]2C[NH2+][C@@H]3COC[C@H]23)nc2ccc([N+](=O)[O-])cc12 ZINC001155502582 862164395 /nfs/dbraw/zinc/16/43/95/862164395.db2.gz HPGYLOMZWPWMFA-BPLDGKMQSA-N 1 0 314.345 1.850 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(NC[C@]23C[NH2+]C[C@H]2COC3)nc1Cl ZINC001155517201 862182993 /nfs/dbraw/zinc/18/29/93/862182993.db2.gz SIHVVXXVJQAHOJ-ZANVPECISA-N 1 0 312.757 1.600 20 5 DDBDRO CN(C)/C=C/c1cc(NC[C@@]23C[NH2+][C@@H](CO2)C3)ncc1[N+](=O)[O-] ZINC001155543196 862209064 /nfs/dbraw/zinc/20/90/64/862209064.db2.gz FFHAQRVGCFITHR-RRSPZVPKSA-N 1 0 319.365 1.065 20 5 DDBDRO COc1ncnc(N[C@@H]2C[NH2+]Cc3ccsc32)c1[N+](=O)[O-] ZINC001155560270 862227469 /nfs/dbraw/zinc/22/74/69/862227469.db2.gz CEDIJGLMGWTWLP-MRVPVSSYSA-N 1 0 307.335 1.711 20 5 DDBDRO O=[N+]([O-])c1cc(Cl)cc(N[C@@H]2CCO[C@@]3(CC[NH2+]C3)C2)n1 ZINC001155616397 862293850 /nfs/dbraw/zinc/29/38/50/862293850.db2.gz CXXINJUXMKGXPF-MFKMUULPSA-N 1 0 312.757 1.966 20 5 DDBDRO O=[N+]([O-])c1cc(Cl)cc(N[C@@H]2CCO[C@]3(CC[NH2+]C3)C2)n1 ZINC001155616398 862294455 /nfs/dbraw/zinc/29/44/55/862294455.db2.gz CXXINJUXMKGXPF-ZWNOBZJWSA-N 1 0 312.757 1.966 20 5 DDBDRO O=[N+]([O-])c1c[nH]c2ccc(N[C@H]3CCO[C@]4(CC[NH2+]C4)C3)nc21 ZINC001155624027 862308181 /nfs/dbraw/zinc/30/81/81/862308181.db2.gz UZAVJPXWHHSVIW-ZUZCIYMTSA-N 1 0 317.349 1.794 20 5 DDBDRO Cc1ncc(C(=O)NCCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)[nH]1 ZINC001155753112 862430112 /nfs/dbraw/zinc/43/01/12/862430112.db2.gz NMKKPZFDOIYHSD-UHFFFAOYSA-N 1 0 317.349 1.536 20 5 DDBDRO O=[N+]([O-])c1cc(Cl)cnc1N(c1ncccn1)C1C[NH2+]C1 ZINC001155862592 862518203 /nfs/dbraw/zinc/51/82/03/862518203.db2.gz QGHDZSFYBVPPCG-UHFFFAOYSA-N 1 0 306.713 1.543 20 5 DDBDRO C[C@@H]1CN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@H](C)N1C ZINC001328044645 862655994 /nfs/dbraw/zinc/65/59/94/862655994.db2.gz LOAQGQVZCLLYNV-UHIISALHSA-N 1 0 307.350 1.179 20 5 DDBDRO C[NH2+][C@H](C)CCNS(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC001328386592 862943513 /nfs/dbraw/zinc/94/35/13/862943513.db2.gz FVTJLXWHUYKCQI-LLVKDONJSA-N 1 0 315.395 1.488 20 5 DDBDRO CC(C)Cn1c(C[N+](=O)[O-])nnc1N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC001122733054 858951832 /nfs/dbraw/zinc/95/18/32/858951832.db2.gz WJLPDSCDCIPOKJ-QWHCGFSZSA-N 1 0 322.413 1.241 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)O[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC001123003169 859049543 /nfs/dbraw/zinc/04/95/43/859049543.db2.gz RHLDJEYWVMVRDE-NWDGAFQWSA-N 1 0 308.338 1.270 20 5 DDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001326031996 861054115 /nfs/dbraw/zinc/05/41/15/861054115.db2.gz YAVCINVPMOAHMI-PHIMTYICSA-N 1 0 304.350 1.603 20 5 DDBDRO CC(=O)N1CCC([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001326145375 861134845 /nfs/dbraw/zinc/13/48/45/861134845.db2.gz CZQMOSLVZPVGTD-OAHLLOKOSA-N 1 0 307.350 1.229 20 5 DDBDRO O=C(CO[C@H]1C[NH+]2CCC1CC2)OCc1ccc([N+](=O)[O-])cc1 ZINC001224985771 881624648 /nfs/dbraw/zinc/62/46/48/881624648.db2.gz ABXVAEWIKBZYAC-HNNXBMFYSA-N 1 0 320.345 1.749 20 5 DDBDRO Cc1ncc(C[NH3+])c(=N)n1-c1ccc2ccc([N+](=O)[O-])cc2n1 ZINC001156828998 863373024 /nfs/dbraw/zinc/37/30/24/863373024.db2.gz FQODKLAPRMKHSZ-UHFFFAOYSA-N 1 0 310.317 1.575 20 5 DDBDRO O=[N+]([O-])c1cc(F)cnc1N(c1cnccn1)C1CC[NH2+]CC1 ZINC001157537400 863897914 /nfs/dbraw/zinc/89/79/14/863897914.db2.gz HDLPDRRCUSVKMN-UHFFFAOYSA-N 1 0 318.312 1.809 20 5 DDBDRO NC(=[NH2+])c1nccn1-c1ccc(-c2ccccc2[N+](=O)[O-])nn1 ZINC001157627276 863988166 /nfs/dbraw/zinc/98/81/66/863988166.db2.gz SMKYAISGBFUNGO-UHFFFAOYSA-N 1 0 309.289 1.522 20 5 DDBDRO O=C(NCCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1ncc[nH]1 ZINC001157628679 863991070 /nfs/dbraw/zinc/99/10/70/863991070.db2.gz ORPCBSCWMFZXBF-UHFFFAOYSA-N 1 0 309.351 1.289 20 5 DDBDRO CN(C)c1cccc(C[NH2+]CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC001157761701 864111594 /nfs/dbraw/zinc/11/15/94/864111594.db2.gz YJZAMAAVQOEBMR-HUUCEWRRSA-N 1 0 320.393 1.014 20 5 DDBDRO [NH3+]Cc1nnnn1-c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC001158080212 864414291 /nfs/dbraw/zinc/41/42/91/864414291.db2.gz HTGPGXQSGDTBRJ-UHFFFAOYSA-N 1 0 315.268 1.230 20 5 DDBDRO COCCC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001330552631 864447348 /nfs/dbraw/zinc/44/73/48/864447348.db2.gz WEQZMOXASKBEGR-HDJSIYSDSA-N 1 0 321.377 1.616 20 5 DDBDRO Cc1c(C)c(N2CCO[C@H](C[NH+]3CCCC3)C2)ncc1[N+](=O)[O-] ZINC001158309141 864563291 /nfs/dbraw/zinc/56/32/91/864563291.db2.gz CAXWSQSDDISGKV-CQSZACIVSA-N 1 0 320.393 1.908 20 5 DDBDRO C[NH+](C)CCONC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001330819228 864631360 /nfs/dbraw/zinc/63/13/60/864631360.db2.gz KXYPKPFBOLKCOY-UHFFFAOYSA-N 1 0 321.255 1.837 20 5 DDBDRO O=C(NCCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1cc[nH]c1 ZINC001158603406 864753246 /nfs/dbraw/zinc/75/32/46/864753246.db2.gz LNEYFTLUDGTNIC-UHFFFAOYSA-N 1 0 302.334 1.833 20 5 DDBDRO C[N@@H+]1CCN(Cn2c(=O)oc3cccc([N+](=O)[O-])c32)CC1(C)C ZINC001331049709 864803651 /nfs/dbraw/zinc/80/36/51/864803651.db2.gz KTYLRLJMCLDMLE-UHFFFAOYSA-N 1 0 320.349 1.486 20 5 DDBDRO CCOC(=O)c1ccnc(N2CCC[C@](C)(C[NH3+])C2)c1[N+](=O)[O-] ZINC001158681855 864811182 /nfs/dbraw/zinc/81/11/82/864811182.db2.gz BGTZEIYBVWBSLL-OAHLLOKOSA-N 1 0 322.365 1.732 20 5 DDBDRO COc1nc(NCC23CC[NH+](CC2)CC3)nc(OC)c1[N+](=O)[O-] ZINC001158826700 864923911 /nfs/dbraw/zinc/92/39/11/864923911.db2.gz IJSFPXPAVKXSAE-UHFFFAOYSA-N 1 0 323.353 1.300 20 5 DDBDRO [NH3+]Cc1ccc2nnn(-c3ncc([N+](=O)[O-])cc3Cl)c2c1 ZINC001159026047 865053197 /nfs/dbraw/zinc/05/31/97/865053197.db2.gz FIIOQEHXWANPQT-UHFFFAOYSA-N 1 0 304.697 1.836 20 5 DDBDRO O=[N+]([O-])c1ccc(C(F)(F)NC[C@@H]2COCC[NH2+]2)nc1Cl ZINC001159042756 865066213 /nfs/dbraw/zinc/06/62/13/865066213.db2.gz JUCCAXFHVSZIFN-SSDOTTSWSA-N 1 0 322.699 1.271 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])cnc1NCc1ccccc1C[NH3+] ZINC001160905703 866180633 /nfs/dbraw/zinc/18/06/33/866180633.db2.gz CYSOJGXESBPQCH-UHFFFAOYSA-N 1 0 316.317 1.847 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cccc(F)c1[N+](=O)[O-] ZINC001225664275 881966756 /nfs/dbraw/zinc/96/67/56/881966756.db2.gz MCIIFQPESOVIEQ-SECBINFHSA-N 1 0 301.294 1.097 20 5 DDBDRO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@H]3CCC4(COC4)O3)CC2)n1 ZINC001333036828 866359503 /nfs/dbraw/zinc/35/95/03/866359503.db2.gz JYAMIJGWAVJOBD-CYBMUJFWSA-N 1 0 322.365 1.376 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC001333288962 866596627 /nfs/dbraw/zinc/59/66/27/866596627.db2.gz JPHLFNGQKXMZQU-NSHDSACASA-N 1 0 309.370 1.090 20 5 DDBDRO C[NH+](C)[C@@H]1CCCC[C@H]1Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC001333699516 866948327 /nfs/dbraw/zinc/94/83/27/866948327.db2.gz KHYSQFJGCNWJPM-TZMCWYRMSA-N 1 0 306.366 1.978 20 5 DDBDRO CCN(CC[NH2+]CC=C(Cl)Cl)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001320733694 866988598 /nfs/dbraw/zinc/98/85/98/866988598.db2.gz ADZUTCGIWDALDF-RKDXNWHRSA-N 1 0 310.181 1.409 20 5 DDBDRO C[NH+](C)C[C@H](O)CNc1cccc(C(F)(F)F)c1[N+](=O)[O-] ZINC001333858033 867086292 /nfs/dbraw/zinc/08/62/92/867086292.db2.gz DHPRMPMHWBFJQJ-MRVPVSSYSA-N 1 0 307.272 1.948 20 5 DDBDRO COC(=O)c1ccc(C[NH3+])n1-c1nc(C)cc(OC)c1[N+](=O)[O-] ZINC001161934812 867112872 /nfs/dbraw/zinc/11/28/72/867112872.db2.gz YXMIQUGNUFUPMH-UHFFFAOYSA-N 1 0 320.305 1.343 20 5 DDBDRO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC001321047845 867260640 /nfs/dbraw/zinc/26/06/40/867260640.db2.gz AEOFCOMMVLIQFH-RYUDHWBXSA-N 1 0 307.354 1.175 20 5 DDBDRO CCN1CC[NH+](C[C@H](C)CNc2c(C)cncc2[N+](=O)[O-])CC1 ZINC001321133450 867341703 /nfs/dbraw/zinc/34/17/03/867341703.db2.gz MCCOIPOYWSTCRK-CYBMUJFWSA-N 1 0 321.425 1.406 20 5 DDBDRO COc1nc(-n2c(C[NH3+])nc3cnccc32)ccc1[N+](=O)[O-] ZINC001162214137 867342667 /nfs/dbraw/zinc/34/26/67/867342667.db2.gz DQMCMQXONUNVIW-UHFFFAOYSA-N 1 0 300.278 1.191 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCC[NH+]2CC=CC2)c1 ZINC001321137175 867346348 /nfs/dbraw/zinc/34/63/48/867346348.db2.gz SMHCHDDKIDMBOA-UHFFFAOYSA-N 1 0 319.361 1.660 20 5 DDBDRO C[NH+](C)[C@H]1C[C@H](NC(=O)COc2cccc([N+](=O)[O-])c2)C1(C)C ZINC001162904417 867911038 /nfs/dbraw/zinc/91/10/38/867911038.db2.gz IHAUFWWMGFLATG-KBPBESRZSA-N 1 0 321.377 1.819 20 5 DDBDRO COC(=O)[C@@H](Nc1cc2cc[nH]c2c([N+](=O)[O-])c1)C(C)(C)[NH3+] ZINC001162947760 867936372 /nfs/dbraw/zinc/93/63/72/867936372.db2.gz XYYUTJHFZWYISN-GFCCVEGCSA-N 1 0 306.322 1.767 20 5 DDBDRO O=[N+]([O-])c1cccnc1NC[C@@H]1CCC2(CC[NH2+]CC2)CO1 ZINC001162966340 867953886 /nfs/dbraw/zinc/95/38/86/867953886.db2.gz ULTHHGWEINTLAF-LBPRGKRZSA-N 1 0 306.366 1.951 20 5 DDBDRO [NH3+]C[C@H](CO)c1ccc(Nc2ncc([N+](=O)[O-])cc2F)cc1 ZINC001163053295 868041753 /nfs/dbraw/zinc/04/17/53/868041753.db2.gz PJVXUQACFYZZMG-SNVBAGLBSA-N 1 0 306.297 1.907 20 5 DDBDRO COc1cnc(Nc2ccc([C@@H](C[NH3+])CO)cc2)c([N+](=O)[O-])c1 ZINC001163053061 868041957 /nfs/dbraw/zinc/04/19/57/868041957.db2.gz MANHPKZWIDFMEK-NSHDSACASA-N 1 0 318.333 1.777 20 5 DDBDRO O=[N+]([O-])c1ccc(NC[C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)c2ccncc21 ZINC001163100991 868100775 /nfs/dbraw/zinc/10/07/75/868100775.db2.gz CNHMIEQGKZFQIO-NSODJVPESA-N 1 0 314.345 1.789 20 5 DDBDRO O=[N+]([O-])c1c2nsnc2ccc1NC[C@@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001163104677 868101877 /nfs/dbraw/zinc/10/18/77/868101877.db2.gz BHXNFIYYSFQOBI-SOCHQFKDSA-N 1 0 321.362 1.246 20 5 DDBDRO COC(=O)CC(C)(C)[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC001335183843 868117348 /nfs/dbraw/zinc/11/73/48/868117348.db2.gz YPPGFCGLQGEDIV-UHFFFAOYSA-N 1 0 323.349 1.467 20 5 DDBDRO Cc1ncc([N+](=O)[O-])c(N2CCC(C3=CC=C(N)C[NH2+]3)CC2)n1 ZINC001163130983 868138781 /nfs/dbraw/zinc/13/87/81/868138781.db2.gz IAMQWVGQSLCIHA-UHFFFAOYSA-N 1 0 316.365 1.239 20 5 DDBDRO O=[N+]([O-])c1cc2c(cc1F)ncnc2N[C@@H]1C[NH2+][C@@H]2COC[C@H]12 ZINC001163137506 868150132 /nfs/dbraw/zinc/15/01/32/868150132.db2.gz OBUVCTUXZINUAQ-GGZOMVNGSA-N 1 0 319.296 1.076 20 5 DDBDRO CC(C)[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccn1 ZINC001335337310 868235027 /nfs/dbraw/zinc/23/50/27/868235027.db2.gz MORAJLJQFHHBPO-UKRRQHHQSA-N 1 0 319.365 1.534 20 5 DDBDRO O=[N+]([O-])c1c(Cl)ncnc1N[C@H]1CCO[C@@]2(CC[NH2+]C2)C1 ZINC001163304978 868328740 /nfs/dbraw/zinc/32/87/40/868328740.db2.gz KEJQAKZZJLLMQP-UFBFGSQYSA-N 1 0 313.745 1.361 20 5 DDBDRO COc1cccc([C@@H](C[NH3+])Nc2nc(C)ncc2[N+](=O)[O-])c1 ZINC001163307140 868331295 /nfs/dbraw/zinc/33/12/95/868331295.db2.gz WLRVXWMUOFUUPB-GFCCVEGCSA-N 1 0 303.322 1.814 20 5 DDBDRO CC[NH2+][C@H](C)CNC(=O)NC[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001335596126 868409967 /nfs/dbraw/zinc/40/99/67/868409967.db2.gz RCOUOUMTWOKQFG-VXGBXAGGSA-N 1 0 308.382 1.996 20 5 DDBDRO O=C(NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cnco1 ZINC001163528834 868511616 /nfs/dbraw/zinc/51/16/16/868511616.db2.gz LEMBXCRHJQSERM-UHFFFAOYSA-N 1 0 304.306 1.493 20 5 DDBDRO COc1ccnc(N[C@H]2CCCC[C@@]23C[NH2+]CCO3)c1[N+](=O)[O-] ZINC001163646867 868590473 /nfs/dbraw/zinc/59/04/73/868590473.db2.gz YUJDGZQHBKRBPP-SWLSCSKDSA-N 1 0 322.365 1.712 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]Cc2ccns2)c1 ZINC001335897721 868604420 /nfs/dbraw/zinc/60/44/20/868604420.db2.gz MXXXUHAVUZGILI-LLVKDONJSA-N 1 0 309.347 1.581 20 5 DDBDRO O=[N+]([O-])c1ccccc1NCCNC[C@H](O)C[NH+]1CCCC1 ZINC001335933167 868628303 /nfs/dbraw/zinc/62/83/03/868628303.db2.gz FADLMVBZRVPROH-ZDUSSCGKSA-N 1 0 308.382 1.053 20 5 DDBDRO O=C(CC[NH2+][C@H]1CN2CCC1CC2)Nc1ccccc1[N+](=O)[O-] ZINC001336702130 869101129 /nfs/dbraw/zinc/10/11/29/869101129.db2.gz AIJBCURKEJVZSD-AWEZNQCLSA-N 1 0 318.377 1.607 20 5 DDBDRO CC1(C)C[NH2+]C[C@@H]1NC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC001336771973 869133603 /nfs/dbraw/zinc/13/36/03/869133603.db2.gz GHBBTWZYUQTNLW-ZDUSSCGKSA-N 1 0 306.366 1.435 20 5 DDBDRO O=C(NCCC1(C[NH2+]Cc2ccsc2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001164494287 869231144 /nfs/dbraw/zinc/23/11/44/869231144.db2.gz DEEVTYWJGUHLSP-CHWSQXEVSA-N 1 0 323.418 1.789 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC001336996106 869250314 /nfs/dbraw/zinc/25/03/14/869250314.db2.gz XTCIFBSXCILYPA-KGYLQXTDSA-N 1 0 306.366 1.440 20 5 DDBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CCC[C@@H]2C[NH+](C)C)n1 ZINC001165075325 869364196 /nfs/dbraw/zinc/36/41/96/869364196.db2.gz VSEDJXVLDTVUQE-LLVKDONJSA-N 1 0 322.369 1.182 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@@H]3C[C@]3(C[NH+](C)C)C2)n1 ZINC001165182303 869417091 /nfs/dbraw/zinc/41/70/91/869417091.db2.gz KBCRLKZTVDRNIJ-BONVTDFDSA-N 1 0 320.349 1.164 20 5 DDBDRO COc1cc(C)nc(N2C[C@@H]3C[C@]3(C[NH+](C)C)C2)c1[N+](=O)[O-] ZINC001165185497 869419592 /nfs/dbraw/zinc/41/95/92/869419592.db2.gz XMERYGYLGWTCLA-NHYWBVRUSA-N 1 0 306.366 1.695 20 5 DDBDRO CCOc1nc(-n2c(C)nc3c2CC[NH2+]CC3)ccc1[N+](=O)[O-] ZINC001165354482 869541560 /nfs/dbraw/zinc/54/15/60/869541560.db2.gz AUDRDWHDAFYMID-UHFFFAOYSA-N 1 0 317.349 1.571 20 5 DDBDRO Cc1nc2c(n1-c1ccc3[nH]cc([N+](=O)[O-])c3n1)CC[NH2+]CC2 ZINC001165353948 869542242 /nfs/dbraw/zinc/54/22/42/869542242.db2.gz VLIGTHAAENKHPR-UHFFFAOYSA-N 1 0 312.333 1.653 20 5 DDBDRO CS[C@@H]1CN(c2cc(N)c([N+](=O)[O-])cn2)C[C@@H]1[NH+]1CCCC1 ZINC001337830209 869648754 /nfs/dbraw/zinc/64/87/54/869648754.db2.gz HSMNTUIHXQSRBR-QWHCGFSZSA-N 1 0 323.422 1.588 20 5 DDBDRO COc1cc([N+](=O)[O-])cnc1N[C@@H](C)[C@H]1C[N@H+](C)CCN1C ZINC001338083761 869791476 /nfs/dbraw/zinc/79/14/76/869791476.db2.gz JKWFCLSDLNHXRD-CMPLNLGQSA-N 1 0 309.370 1.045 20 5 DDBDRO COC[C@@H]1C[NH2+]CCN1C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC001338596993 870062889 /nfs/dbraw/zinc/06/28/89/870062889.db2.gz SDUSCHKGGXHXIQ-ZDUSSCGKSA-N 1 0 322.365 1.033 20 5 DDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001338758790 870154156 /nfs/dbraw/zinc/15/41/56/870154156.db2.gz IAHDHBWLXUMTSC-YNEHKIRRSA-N 1 0 304.350 1.629 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ncnc2ccc(F)cc21 ZINC001226373233 882389492 /nfs/dbraw/zinc/38/94/92/882389492.db2.gz HNNWPCKZXVNPOD-LLVKDONJSA-N 1 0 308.333 1.132 20 5 DDBDRO C[C@@H](C(=O)N[C@@H]1C[NH+]2CCC1CC2)c1cccc([N+](=O)[O-])c1 ZINC001339140826 870364924 /nfs/dbraw/zinc/36/49/24/870364924.db2.gz JNWPYWBKMZJOIZ-IAQYHMDHSA-N 1 0 303.362 1.909 20 5 DDBDRO Cc1cc(N2CCO[C@@H](C[NH3+])C2)nc2ccc([N+](=O)[O-])cc12 ZINC001166937553 870397830 /nfs/dbraw/zinc/39/78/30/870397830.db2.gz BGUZJLIGZACJDO-LBPRGKRZSA-N 1 0 302.334 1.615 20 5 DDBDRO Nc1cc(N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)ncc1[N+](=O)[O-] ZINC001339824728 870717973 /nfs/dbraw/zinc/71/79/73/870717973.db2.gz RKDIJPVPWZTSNG-PWSUYJOCSA-N 1 0 309.395 1.564 20 5 DDBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)[C@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC001339924014 870787046 /nfs/dbraw/zinc/78/70/46/870787046.db2.gz WFJNBRNJLXGMMC-PMPSAXMXSA-N 1 0 317.389 1.889 20 5 DDBDRO O=C(N1CCc2ccc([N+](=O)[O-])cc2C1)[C@]12CC[C@H]1C[NH2+]C2 ZINC001340679098 871276462 /nfs/dbraw/zinc/27/64/62/871276462.db2.gz PBVBIPPZGLYTLS-BBRMVZONSA-N 1 0 301.346 1.479 20 5 DDBDRO C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CCn1cnnc1 ZINC001308052834 871465613 /nfs/dbraw/zinc/46/56/13/871465613.db2.gz USFFWOWRMQCAPM-UHFFFAOYSA-N 1 0 318.337 1.147 20 5 DDBDRO COC(=O)N1CCC([NH2+]CCc2cccc([N+](=O)[O-])c2)CC1 ZINC001308357118 871492893 /nfs/dbraw/zinc/49/28/93/871492893.db2.gz QJKUAFKKWSMLQO-UHFFFAOYSA-N 1 0 307.350 1.958 20 5 DDBDRO CC1(C)C[NH2+]C[C@H]1NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC001341467201 871671348 /nfs/dbraw/zinc/67/13/48/871671348.db2.gz RZJIWKBVXFNBDL-GFCCVEGCSA-N 1 0 309.391 1.801 20 5 DDBDRO COc1cc([N+](=O)[O-])c(C(=O)NOC[C@H](C)[NH3+])cc1SC ZINC001341959193 871915348 /nfs/dbraw/zinc/91/53/48/871915348.db2.gz MJBHUWXNQCDGJW-ZETCQYMHSA-N 1 0 315.351 1.334 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC001341985712 871936266 /nfs/dbraw/zinc/93/62/66/871936266.db2.gz ZQFACKOGQRWJIU-INIZCTEOSA-N 1 0 319.361 1.718 20 5 DDBDRO COc1cc(C(=O)NC2(C3CC[NH2+]CC3)CC2)ccc1[N+](=O)[O-] ZINC001342928706 872442349 /nfs/dbraw/zinc/44/23/49/872442349.db2.gz KLZAOXBMAAJQDQ-UHFFFAOYSA-N 1 0 319.361 1.865 20 5 DDBDRO C[C@@H](c1ccccn1)[N@@H+]1CC[C@@H](Oc2ncc([N+](=O)[O-])cn2)C1 ZINC001226733071 882617693 /nfs/dbraw/zinc/61/76/93/882617693.db2.gz GPOJQFLFGLOMGC-WCQYABFASA-N 1 0 315.333 1.994 20 5 DDBDRO CC(C)Cn1c(C[N+](=O)[O-])nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001342988646 872458942 /nfs/dbraw/zinc/45/89/42/872458942.db2.gz RZSUNVSFIZLBDL-UHFFFAOYSA-N 1 0 324.429 1.631 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@H]3CCCC[C@H]3C2)c1 ZINC001319181583 872482972 /nfs/dbraw/zinc/48/29/72/872482972.db2.gz MKZCNYDJRIZNDQ-VNHYZAJKSA-N 1 0 308.382 1.664 20 5 DDBDRO CS[C@@H]1CC[C@@H]([N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC001319451831 872635499 /nfs/dbraw/zinc/63/54/99/872635499.db2.gz QQCUGUIIBJOVSI-DGCLKSJQSA-N 1 0 311.407 1.972 20 5 DDBDRO O=C(N[C@@H]1C[NH2+]CC12CC2)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001343641238 872697376 /nfs/dbraw/zinc/69/73/76/872697376.db2.gz NYPLPZVVHTZETM-MGPQQGTHSA-N 1 0 301.346 1.567 20 5 DDBDRO C[NH+]1CCC2(CCCN(C(=O)c3c[nH]nc3[N+](=O)[O-])C2)CC1 ZINC001348531581 874618494 /nfs/dbraw/zinc/61/84/94/874618494.db2.gz JJFKCEZSPBDMAI-UHFFFAOYSA-N 1 0 307.354 1.266 20 5 DDBDRO COC(=O)c1cccc([N+](=O)[O-])c1O[C@@H]1C[NH+]2CCC1CC2 ZINC001227122325 882850761 /nfs/dbraw/zinc/85/07/61/882850761.db2.gz NFUGSGAYSMOGPV-CYBMUJFWSA-N 1 0 306.318 1.854 20 5 DDBDRO C[N@@H+]1CCCC[C@H]1CNC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC001349853101 875414110 /nfs/dbraw/zinc/41/41/10/875414110.db2.gz RYOREFOJXUUJMS-ZDUSSCGKSA-N 1 0 309.341 1.877 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc(-c2ccccn2)cn1 ZINC001227293197 882956827 /nfs/dbraw/zinc/95/68/27/882956827.db2.gz ZGKQVIBOHUPURA-CQSZACIVSA-N 1 0 316.381 1.506 20 5 DDBDRO C[NH2+]C[C@H]1CCCCN1C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC001353114375 877131577 /nfs/dbraw/zinc/13/15/77/877131577.db2.gz YIYUHCKWVAYCAE-CYBMUJFWSA-N 1 0 320.393 1.632 20 5 DDBDRO O=C(NC[C@@H]1C[NH2+]CCC1(F)F)c1cc(F)cc([N+](=O)[O-])c1 ZINC001353175470 877160951 /nfs/dbraw/zinc/16/09/51/877160951.db2.gz QANNQJBNEYFDDZ-VIFPVBQESA-N 1 0 317.267 1.709 20 5 DDBDRO O=C(NC[C@H]1C[NH2+]CCC1(F)F)c1ccc(F)cc1[N+](=O)[O-] ZINC001353173988 877161701 /nfs/dbraw/zinc/16/17/01/877161701.db2.gz GORNNOHLZAVNJN-MRVPVSSYSA-N 1 0 317.267 1.709 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1C[C@@H](C)OC[C@H]1C[C@H]2CC[NH2+]C[C@@H]2O1 ZINC001217872990 877345450 /nfs/dbraw/zinc/34/54/50/877345450.db2.gz VZBDIXRHIAKZMR-ZRJCITRHSA-N 1 0 324.381 1.272 20 5 DDBDRO C[C@H]1CC[C@H](Oc2[nH]c(=O)nc3cc([N+](=O)[O-])ccc32)C[NH2+]1 ZINC001218396898 877473397 /nfs/dbraw/zinc/47/33/97/877473397.db2.gz DSECNVJWXJWBTF-WPRPVWTQSA-N 1 0 304.306 1.763 20 5 DDBDRO CC1(C)[C@H](NC(=O)CCc2cc(F)ccc2[N+](=O)[O-])C[C@@H]1[NH3+] ZINC001353928318 877650754 /nfs/dbraw/zinc/65/07/54/877650754.db2.gz JARLYORJWATGCO-QWHCGFSZSA-N 1 0 309.341 1.909 20 5 DDBDRO N[C@]1(C(=O)Nc2cc3cccnc3c3ncccc23)CCC[NH2+]C1 ZINC001218978872 877848675 /nfs/dbraw/zinc/84/86/75/877848675.db2.gz BSYBNGARQWCTBO-GOSISDBHSA-N 1 0 321.384 1.802 20 5 DDBDRO CN(C)C(C)(C)C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001356570277 879104132 /nfs/dbraw/zinc/10/41/32/879104132.db2.gz RRMILHZLURGXPI-UHFFFAOYSA-N 1 0 308.382 1.853 20 5 DDBDRO C[C@@H]1C[NH2+]C[C@H]1NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC001357545936 880038940 /nfs/dbraw/zinc/03/89/40/880038940.db2.gz IJAKDVBVUACKRD-ZWNOBZJWSA-N 1 0 306.366 1.737 20 5 DDBDRO O=C(N[C@@H]1COC2(C[NH2+]C2)C1)c1cccc(Cl)c1[N+](=O)[O-] ZINC001357842772 880223974 /nfs/dbraw/zinc/22/39/74/880223974.db2.gz GRFZMKNNPFGVHE-QMMMGPOBSA-N 1 0 311.725 1.109 20 5 DDBDRO Cc1[nH]c(=O)cc(O[C@@H]2C[C@@H]3CC(=O)C[C@H]2[N@@H+]3C)c1[N+](=O)[O-] ZINC001228686849 883618797 /nfs/dbraw/zinc/61/87/97/883618797.db2.gz RMNAYGGAQFNRKM-JMJZKYOTSA-N 1 0 307.306 1.187 20 5 DDBDRO C[C@@H](C[N+](C)(C)C)Oc1cnc2c(Br)cnn2c1 ZINC001229874154 884205435 /nfs/dbraw/zinc/20/54/35/884205435.db2.gz RZVCGTPEALZDQZ-VIFPVBQESA-N 1 0 314.207 1.965 20 5 DDBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1nc3c[nH]cc([N+](=O)[O-])c-3n1)C2 ZINC001230230568 884382724 /nfs/dbraw/zinc/38/27/24/884382724.db2.gz VBKPKOKFMYOMCF-MYJAWHEDSA-N 1 0 303.322 1.870 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ncnc2c(Cl)cccc12 ZINC001230776787 884868105 /nfs/dbraw/zinc/86/81/05/884868105.db2.gz WHIUHDCWDHDLGE-SNVBAGLBSA-N 1 0 324.788 1.646 20 5 DDBDRO CC[NH+](CC)C[C@@H](C)Oc1ncc(C(=O)OC)cc1[N+](=O)[O-] ZINC001233859515 887398587 /nfs/dbraw/zinc/39/85/87/887398587.db2.gz OKFGUBQDHZXREX-SNVBAGLBSA-N 1 0 311.338 1.886 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccccc1OC(F)F ZINC001234021921 887561333 /nfs/dbraw/zinc/56/13/33/887561333.db2.gz HKCWARZEPWZEDY-SNVBAGLBSA-N 1 0 304.313 1.651 20 5 DDBDRO CCOC(=N)c1ccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)cc1 ZINC001234588494 888123648 /nfs/dbraw/zinc/12/36/48/888123648.db2.gz PCJQFVPHCHMABU-CYBMUJFWSA-N 1 0 309.386 1.411 20 5 DDBDRO Cc1c(=O)c2ccccc2[nH]c1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001234650191 888169441 /nfs/dbraw/zinc/16/94/41/888169441.db2.gz UTQICYKSBFJLKB-GFCCVEGCSA-O 1 0 319.381 1.611 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC(N3C[C@@H]4C[NH2+]C[C@@H]43)CC2)cc1 ZINC001246922196 892988570 /nfs/dbraw/zinc/98/85/70/892988570.db2.gz UTQRHQJNZPOJKC-LRDDRELGSA-N 1 0 302.378 1.467 20 5 DDBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc(CC[NH+]2CCCC2)n1 ZINC001247717395 893323142 /nfs/dbraw/zinc/32/31/42/893323142.db2.gz XFLOOFWTNMVAJM-UHFFFAOYSA-N 1 0 307.285 1.817 20 5 DDBDRO O=C1C[C@@H](C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CN1 ZINC001254466597 896453562 /nfs/dbraw/zinc/45/35/62/896453562.db2.gz GVUIDOIQVLZRIC-LBPRGKRZSA-N 1 0 318.377 1.289 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001254538798 896494436 /nfs/dbraw/zinc/49/44/36/896494436.db2.gz BRWBVFOPJCTUGK-VXGBXAGGSA-N 1 0 312.391 1.550 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H]2CNC(=O)[C@H]2C1 ZINC001254559143 896501175 /nfs/dbraw/zinc/50/11/75/896501175.db2.gz IXFJFTUYSWLKFX-XBFCOCLRSA-N 1 0 303.362 1.594 20 5 DDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CCOC[C@H]1C[NH+](C)C ZINC001254563859 896502132 /nfs/dbraw/zinc/50/21/32/896502132.db2.gz FIVNLCJHSATGLG-DZGCQCFKSA-N 1 0 307.394 1.788 20 5 DDBDRO C[C@]1(CO)CC[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C[C@@H]1O ZINC001254592068 896522688 /nfs/dbraw/zinc/52/26/88/896522688.db2.gz ABVXNTGSQXHNHO-HRCADAONSA-N 1 0 306.362 1.127 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H](N(c1ncccn1)C1C[NH2+]C1)C2 ZINC001254606408 896528391 /nfs/dbraw/zinc/52/83/91/896528391.db2.gz FINPCBNKFYCYDG-AWEZNQCLSA-N 1 0 311.345 1.330 20 5 DDBDRO COC(=O)CO[C@H]1CC[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254609955 896529867 /nfs/dbraw/zinc/52/98/67/896529867.db2.gz GRMZEZKUBIZNCB-GJZGRUSLSA-N 1 0 320.345 1.326 20 5 DDBDRO CC(=O)N(C)[C@@H]1CC[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254611675 896532756 /nfs/dbraw/zinc/53/27/56/896532756.db2.gz QZEULWTXESPNMS-CVEARBPZSA-N 1 0 303.362 1.615 20 5 DDBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2N2CCOC2=O)C[C@H](C)[NH2+]1 ZINC001262673707 900298292 /nfs/dbraw/zinc/29/82/92/900298292.db2.gz ZJYVDJUPALNDAJ-PHIMTYICSA-N 1 0 320.349 1.738 20 5 DDBDRO C[NH2+]C[C@@H]1CCCCN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC001263192980 900528805 /nfs/dbraw/zinc/52/88/05/900528805.db2.gz WDYUPTRDAHNKRB-ZDUSSCGKSA-N 1 0 321.377 1.964 20 5 DDBDRO O=C(NCCC[N@H+](C/C=C/Cl)C1CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001266135587 903000740 /nfs/dbraw/zinc/00/07/40/903000740.db2.gz PVGJQEHPGTVEHL-JRTDTAFDSA-N 1 0 301.774 1.375 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000305324153 231000382 /nfs/dbraw/zinc/00/03/82/231000382.db2.gz OSIFBKQNRGCPKW-HNNXBMFYSA-N 1 0 316.361 1.519 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@]2(CO)CCc3ccccc32)n1 ZINC000305744426 231036156 /nfs/dbraw/zinc/03/61/56/231036156.db2.gz UPXJIGFBKROKIN-HNNXBMFYSA-N 1 0 302.334 1.215 20 5 DDBDRO O=[N+]([O-])c1ccc(OCC[N@H+]2CC[C@](O)(C(F)F)C2)cc1 ZINC000451429758 231092436 /nfs/dbraw/zinc/09/24/36/231092436.db2.gz MBKDLQLZHJNEJX-CYBMUJFWSA-N 1 0 302.277 1.676 20 5 DDBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCO[C@H](C[NH3+])C1 ZINC000358117807 299081716 /nfs/dbraw/zinc/08/17/16/299081716.db2.gz ACDMRYNMOOCBNV-CQSZACIVSA-N 1 0 309.366 1.542 20 5 DDBDRO COC[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000181561773 199317454 /nfs/dbraw/zinc/31/74/54/199317454.db2.gz WCZOVSVZYAITCX-CYBMUJFWSA-N 1 0 307.350 1.938 20 5 DDBDRO C[NH2+]CCCN(C)C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000424039019 529964314 /nfs/dbraw/zinc/96/43/14/529964314.db2.gz ZTHUCXXRKTUHDT-UHFFFAOYSA-N 1 0 317.349 1.462 20 5 DDBDRO Cc1c([C@@H](C)[NH2+]CCC2CS(=O)(=O)C2)cccc1[N+](=O)[O-] ZINC000615761615 362429203 /nfs/dbraw/zinc/42/92/03/362429203.db2.gz WJIMDALQUVZMHA-LLVKDONJSA-N 1 0 312.391 1.989 20 5 DDBDRO C[N@@H+]1CCC[C@H](CCNC(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000458169029 530060457 /nfs/dbraw/zinc/06/04/57/530060457.db2.gz FBKNZZLLWRYHIR-CYBMUJFWSA-N 1 0 321.377 1.822 20 5 DDBDRO C[C@H]1C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CCCO1 ZINC000181706867 199341683 /nfs/dbraw/zinc/34/16/83/199341683.db2.gz ZXVGBDRWWXNVCC-STQMWFEESA-N 1 0 310.350 1.445 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000160147477 290767690 /nfs/dbraw/zinc/76/76/90/290767690.db2.gz WTXOTIPJSMOTRX-GFCCVEGCSA-N 1 0 317.349 1.361 20 5 DDBDRO Cc1ccc(C[N@H+](CCO)CCn2ccc([N+](=O)[O-])n2)cc1 ZINC000181970426 199369155 /nfs/dbraw/zinc/36/91/55/199369155.db2.gz DSEUGHCRCDTNMS-UHFFFAOYSA-N 1 0 304.350 1.594 20 5 DDBDRO COC[C@@H](CO)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000279631676 215020194 /nfs/dbraw/zinc/02/01/94/215020194.db2.gz BYVGXJOKFHPAAO-GFCCVEGCSA-N 1 0 306.318 1.952 20 5 DDBDRO CNc1ccc(C(=O)NCC2([NH+](C)C)CCC2)cc1[N+](=O)[O-] ZINC000318333297 290814878 /nfs/dbraw/zinc/81/48/78/290814878.db2.gz YCGUGGIPNWTSOA-UHFFFAOYSA-N 1 0 306.366 1.851 20 5 DDBDRO CN(CC[NH+](C)C)C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000080389733 192155019 /nfs/dbraw/zinc/15/50/19/192155019.db2.gz JCOCZAUAOJBLKP-UHFFFAOYSA-N 1 0 308.382 1.807 20 5 DDBDRO Cc1cc(OCC(=O)N2CC[C@@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000280548306 186510602 /nfs/dbraw/zinc/51/06/02/186510602.db2.gz MQXQAKSXBLTQAK-GFCCVEGCSA-N 1 0 307.350 1.445 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H](C)[NH+](C)C ZINC000026857193 352212067 /nfs/dbraw/zinc/21/20/67/352212067.db2.gz DZBLHXRHYJOTNR-JTQLQIEISA-N 1 0 301.368 1.132 20 5 DDBDRO CCOc1ccc(NC(=O)CSCC[NH2+]C)c([N+](=O)[O-])c1 ZINC000564927281 304027186 /nfs/dbraw/zinc/02/71/86/304027186.db2.gz RVQBTYILMHALLM-UHFFFAOYSA-N 1 0 313.379 1.885 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)CC[C@@H](C)O ZINC000072713603 191219714 /nfs/dbraw/zinc/21/97/14/191219714.db2.gz RXQQDWXUAIZBSG-GFCCVEGCSA-N 1 0 309.366 1.935 20 5 DDBDRO CC[NH+](CC)CCCNC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000173051576 198181248 /nfs/dbraw/zinc/18/12/48/198181248.db2.gz AZNVEGXOGBQXPL-UHFFFAOYSA-N 1 0 322.409 1.879 20 5 DDBDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000068340622 353105134 /nfs/dbraw/zinc/10/51/34/353105134.db2.gz YIMVXIORNIVOFX-SNVBAGLBSA-N 1 0 310.329 1.482 20 5 DDBDRO CC(C)[N@@H+]1CCCN(C(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000068779489 353129270 /nfs/dbraw/zinc/12/92/70/353129270.db2.gz RRIWGFGEYVVRJM-UHFFFAOYSA-N 1 0 321.377 1.916 20 5 DDBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)C[C@H](O)CN1CCOCC1 ZINC000073021807 353233095 /nfs/dbraw/zinc/23/30/95/353233095.db2.gz SNWGRWSVIZJDAK-BBRMVZONSA-N 1 0 323.393 1.281 20 5 DDBDRO CCOC[C@H](O)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174246759 198310235 /nfs/dbraw/zinc/31/02/35/198310235.db2.gz YOLKGONFMLIBIO-CQSZACIVSA-N 1 0 324.377 1.835 20 5 DDBDRO CCC[N@@H+]1CCCN(C(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000074073836 353289718 /nfs/dbraw/zinc/28/97/18/353289718.db2.gz TTYZHIOJBMYPHF-UHFFFAOYSA-N 1 0 321.377 1.918 20 5 DDBDRO C[NH2+]C[C@@H](C)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000174341486 198321743 /nfs/dbraw/zinc/32/17/43/198321743.db2.gz QUECOFKXPGBGMY-GFCCVEGCSA-N 1 0 306.366 1.099 20 5 DDBDRO CC(C)(CCS(C)(=O)=O)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000174639024 198363162 /nfs/dbraw/zinc/36/31/62/198363162.db2.gz WJPWXILTKDPUFP-UHFFFAOYSA-N 1 0 300.380 1.898 20 5 DDBDRO CC[C@H](CO)[NH+]1CCN(Cc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000075961090 353387978 /nfs/dbraw/zinc/38/79/78/353387978.db2.gz UUOWBHCNCWXJJG-CQSZACIVSA-N 1 0 323.393 1.492 20 5 DDBDRO C[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C[C@H](O)C1CC1 ZINC000079769974 353576565 /nfs/dbraw/zinc/57/65/65/353576565.db2.gz XACXQMJBAUGLGW-AWEZNQCLSA-N 1 0 308.334 1.664 20 5 DDBDRO COC(=O)CC[N@@H+]1CCN(c2ccc([N+](=O)[O-])nc2)[C@H](C)C1 ZINC000089265452 353763874 /nfs/dbraw/zinc/76/38/74/353763874.db2.gz OLUJPFRONYIQBT-LLVKDONJSA-N 1 0 308.338 1.063 20 5 DDBDRO Nc1nc(-n2cccn2)cc(NCc2ccccc2[N+](=O)[O-])[nH+]1 ZINC000092891131 353874094 /nfs/dbraw/zinc/87/40/94/353874094.db2.gz SOMMGDVLZXMSJK-UHFFFAOYSA-N 1 0 311.305 1.765 20 5 DDBDRO CC[NH+](CC)CCNC(=O)CCn1nc(C)c([N+](=O)[O-])c1C ZINC000164095512 354247913 /nfs/dbraw/zinc/24/79/13/354247913.db2.gz LREVCFAKYAAYEE-UHFFFAOYSA-N 1 0 311.386 1.256 20 5 DDBDRO Cc1ccc(S(=O)(=O)N2CC[C@@H]([NH3+])C[C@H]2C)cc1[N+](=O)[O-] ZINC000228342564 354322471 /nfs/dbraw/zinc/32/24/71/354322471.db2.gz UIUKHILBNQABIW-GHMZBOCLSA-N 1 0 313.379 1.404 20 5 DDBDRO CSC1(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCC1 ZINC000235252463 354332672 /nfs/dbraw/zinc/33/26/72/354332672.db2.gz WNAKDUZIYPQTFO-NSHDSACASA-N 1 0 300.384 1.028 20 5 DDBDRO O=C(NCc1ccccc1[N+](=O)[O-])[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000315079743 354490491 /nfs/dbraw/zinc/49/04/91/354490491.db2.gz YXDRGXJSAKIWRR-LBPRGKRZSA-N 1 0 317.267 1.753 20 5 DDBDRO CC[C@@H]1CN(C(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000316789017 354506348 /nfs/dbraw/zinc/50/63/48/354506348.db2.gz HHEIUUWILUPUQL-PWSUYJOCSA-N 1 0 307.350 1.803 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c2ccncc21 ZINC000405209751 354677449 /nfs/dbraw/zinc/67/74/49/354677449.db2.gz HPLVGVCXYHONOI-NWDGAFQWSA-N 1 0 314.345 1.398 20 5 DDBDRO CC[NH2+]CCCNS(=O)(=O)c1ccc(CC)c([N+](=O)[O-])c1 ZINC000584779858 354765943 /nfs/dbraw/zinc/76/59/43/354765943.db2.gz RZUYNQRHDFLYQJ-UHFFFAOYSA-N 1 0 315.395 1.435 20 5 DDBDRO O=C(/C=C\c1ccc(F)cc1[N+](=O)[O-])NCC[C@@H]1CC[NH2+]C1 ZINC000493812447 234940203 /nfs/dbraw/zinc/94/02/03/234940203.db2.gz BQBUBAMBGWTNBB-MORRKMRCSA-N 1 0 307.325 1.863 20 5 DDBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc2[nH]c(=O)oc2c1 ZINC000586791306 354865868 /nfs/dbraw/zinc/86/58/68/354865868.db2.gz PZMWXOGQINPJFJ-SECBINFHSA-N 1 0 317.305 1.989 20 5 DDBDRO C[NH+](C)[C@H]1CCCN(c2cc(N)c([N+](=O)[O-])c(CO)c2)CC1 ZINC000588033816 354896302 /nfs/dbraw/zinc/89/63/02/354896302.db2.gz IBQSPFBWJCUDQK-LBPRGKRZSA-N 1 0 308.382 1.590 20 5 DDBDRO C[C@H]1C[C@H](Nc2cc(N)c([N+](=O)[O-])c(CO)c2)C[N@@H+]1C1CC1 ZINC000589584117 355002014 /nfs/dbraw/zinc/00/20/14/355002014.db2.gz GCANXYHTCVQIKG-CABZTGNLSA-N 1 0 306.366 1.706 20 5 DDBDRO CC(C)[C@@](C)(C[NH3+])NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000236812663 202021612 /nfs/dbraw/zinc/02/16/12/202021612.db2.gz SKJWGJINITWFRB-CQSZACIVSA-N 1 0 313.329 1.602 20 5 DDBDRO CC(C)[NH2+][C@H]1CCCN(c2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000589568950 355001348 /nfs/dbraw/zinc/00/13/48/355001348.db2.gz JIMWHUCMFYQAHI-JTQLQIEISA-N 1 0 307.354 1.056 20 5 DDBDRO CN(C(=O)CN1CC[C@@H]2C[N@H+](C)C[C@@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000590012324 355040177 /nfs/dbraw/zinc/04/01/77/355040177.db2.gz QWZXLAMFDMQCFV-DOMZBBRYSA-N 1 0 318.377 1.194 20 5 DDBDRO COC(=O)c1ccnc(N2CC[NH+](CC3CC3)CC2)c1[N+](=O)[O-] ZINC000590574573 355118661 /nfs/dbraw/zinc/11/86/61/355118661.db2.gz KAPOAZIWEYUWIO-UHFFFAOYSA-N 1 0 320.349 1.308 20 5 DDBDRO COc1ccc(C(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000590442356 355096714 /nfs/dbraw/zinc/09/67/14/355096714.db2.gz FNKLKDCVNYVVSW-AAEUAGOBSA-N 1 0 305.334 1.380 20 5 DDBDRO O=C1NCCC[C@@H]1C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000591245263 355271573 /nfs/dbraw/zinc/27/15/73/355271573.db2.gz UVLRVKDQYDKANT-JHJVBQTASA-N 1 0 321.381 1.391 20 5 DDBDRO COc1ccc(CNC(=O)N[C@H]2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000591346342 355294422 /nfs/dbraw/zinc/29/44/22/355294422.db2.gz MPVCAXCROABKRR-LBPRGKRZSA-N 1 0 322.365 1.545 20 5 DDBDRO C[C@@]1(CNC(=O)NCc2cccc([N+](=O)[O-])c2)CCC[NH2+]C1 ZINC000591348344 355294490 /nfs/dbraw/zinc/29/44/90/355294490.db2.gz VBEMHNUPPMAJPC-OAHLLOKOSA-N 1 0 306.366 1.784 20 5 DDBDRO CC1([NH3+])CCN(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000591351667 355295994 /nfs/dbraw/zinc/29/59/94/355295994.db2.gz MDDGOCNZEPZQIB-UHFFFAOYSA-N 1 0 322.365 1.496 20 5 DDBDRO [NH3+]C/C=C/CNC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000591361035 355301541 /nfs/dbraw/zinc/30/15/41/355301541.db2.gz XTQHUUMQMLWHNE-YUKKFKLSSA-N 1 0 318.377 1.999 20 5 DDBDRO CN1CCC[C@@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000591734049 355374139 /nfs/dbraw/zinc/37/41/39/355374139.db2.gz YOUWVZCMHGXUGN-OCCSQVGLSA-N 1 0 309.366 1.018 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC000592247078 355547028 /nfs/dbraw/zinc/54/70/28/355547028.db2.gz RDWSVIXQTKUGDD-CYBMUJFWSA-N 1 0 307.350 1.673 20 5 DDBDRO O=[N+]([O-])c1cc2c(cc1CN1CC[C@H]3[NH2+]CC[C@H]3C1)OCCO2 ZINC000592433585 355582736 /nfs/dbraw/zinc/58/27/36/355582736.db2.gz DMMFYKHSHYPMEQ-WCQYABFASA-N 1 0 319.361 1.550 20 5 DDBDRO O=[N+]([O-])c1cc2c(cc1CN1CC[C@@H]3CC[NH2+][C@@H]3C1)OCCO2 ZINC000592432806 355583092 /nfs/dbraw/zinc/58/30/92/355583092.db2.gz UEWICQWKMHJZHH-WCQYABFASA-N 1 0 319.361 1.550 20 5 DDBDRO O=C1CC[C@H]2C[N@H+](CCCOc3ccc([N+](=O)[O-])cc3)CCN12 ZINC000346477470 283110349 /nfs/dbraw/zinc/11/03/49/283110349.db2.gz GBLSVDRQZHQUCT-AWEZNQCLSA-N 1 0 319.361 1.670 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCCc1ncn(C)n1 ZINC000592373187 355569413 /nfs/dbraw/zinc/56/94/13/355569413.db2.gz CNCOGERGPPGTJY-UHFFFAOYSA-N 1 0 319.365 1.844 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC(C)([NH3+])CC1 ZINC000592378261 355570197 /nfs/dbraw/zinc/57/01/97/355570197.db2.gz CNVBNOIQFVTHEB-UHFFFAOYSA-N 1 0 313.379 1.405 20 5 DDBDRO CCCN(C(=O)CCn1cc([N+](=O)[O-])cn1)[C@@H]1CC[N@H+](C)C1 ZINC000592830308 355705888 /nfs/dbraw/zinc/70/58/88/355705888.db2.gz CSPWISRYVJKJMR-GFCCVEGCSA-N 1 0 309.370 1.124 20 5 DDBDRO COC(=O)c1cc(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000592765333 355681667 /nfs/dbraw/zinc/68/16/67/355681667.db2.gz DQBNUUUMFLHABK-NOZJJQNGSA-N 1 0 321.333 1.660 20 5 DDBDRO O=C(NCCNc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000593902267 356048681 /nfs/dbraw/zinc/04/86/81/356048681.db2.gz RQHIFBLLXOJWAP-GJZGRUSLSA-N 1 0 318.377 1.654 20 5 DDBDRO COc1ccc(C(=O)NCCC2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000593918630 356060545 /nfs/dbraw/zinc/06/05/45/356060545.db2.gz HGRFWFFYRSKJNT-UHFFFAOYSA-N 1 0 307.350 1.723 20 5 DDBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC000594489825 356235970 /nfs/dbraw/zinc/23/59/70/356235970.db2.gz FDZWDKHFPJWBPJ-MFKMUULPSA-N 1 0 310.375 1.606 20 5 DDBDRO CC[N@H+](C)C[C@H](O)COc1ccc(C(=O)OC)c([N+](=O)[O-])c1 ZINC000594571494 356252858 /nfs/dbraw/zinc/25/28/58/356252858.db2.gz HRDPKWLDIQWLGV-JTQLQIEISA-N 1 0 312.322 1.073 20 5 DDBDRO C[C@@H]1[C@H]([NH3+])CCCN1C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000594625106 356268543 /nfs/dbraw/zinc/26/85/43/356268543.db2.gz FQIUVRNSQBOJFI-BXKDBHETSA-N 1 0 321.333 1.318 20 5 DDBDRO O=[N+]([O-])c1ccccc1OCc1cn(C2CC[NH2+]CC2)nn1 ZINC000594653448 356276156 /nfs/dbraw/zinc/27/61/56/356276156.db2.gz UVQTTWQYDDMOIX-UHFFFAOYSA-N 1 0 303.322 1.690 20 5 DDBDRO C[C@]1(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1(F)F ZINC000594732764 356300610 /nfs/dbraw/zinc/30/06/10/356300610.db2.gz MWHJJMSWZNTFQN-WCQYABFASA-N 1 0 316.304 1.969 20 5 DDBDRO C[C@@H](CCNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000594822184 356328229 /nfs/dbraw/zinc/32/82/29/356328229.db2.gz RPEBWMIZFWLVKN-NSHDSACASA-N 1 0 315.395 1.354 20 5 DDBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+][C@@H]1C[C@H](O)C13CCC3)OCCO2 ZINC000594988248 356368137 /nfs/dbraw/zinc/36/81/37/356368137.db2.gz OHNBFUYNIAYLGN-CABCVRRESA-N 1 0 320.345 1.759 20 5 DDBDRO CS(=O)(=O)CC1(CC[NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000594952623 356363049 /nfs/dbraw/zinc/36/30/49/356363049.db2.gz QFSKBVOGLPQOIE-UHFFFAOYSA-N 1 0 318.420 1.961 20 5 DDBDRO C[N@@H+]1CC[C@H]2OCCN(c3nc4sccn4c3[N+](=O)[O-])[C@@H]2C1 ZINC000408028064 283158799 /nfs/dbraw/zinc/15/87/99/283158799.db2.gz CJENSKMOUNEANE-NXEZZACHSA-N 1 0 323.378 1.213 20 5 DDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)CC[NH+](C)C ZINC000081061092 192221331 /nfs/dbraw/zinc/22/13/31/192221331.db2.gz NNLVYNKYARNWAG-UHFFFAOYSA-N 1 0 315.395 1.339 20 5 DDBDRO O=[N+]([O-])c1cccc(-c2noc(CN3C[C@H]4CC[C@@H](C3)[NH2+]4)n2)c1 ZINC000601330848 358501705 /nfs/dbraw/zinc/50/17/05/358501705.db2.gz YNXVDEDIEWIJMJ-TXEJJXNPSA-N 1 0 315.333 1.581 20 5 DDBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)NCC12CC(C1)C[NH2+]2 ZINC000595262742 356425320 /nfs/dbraw/zinc/42/53/20/356425320.db2.gz CLCFYWNNCMRVJN-UHFFFAOYSA-N 1 0 304.350 1.189 20 5 DDBDRO CCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000595193281 356404155 /nfs/dbraw/zinc/40/41/55/356404155.db2.gz RUTDYVREINBROX-LBPRGKRZSA-N 1 0 320.349 1.134 20 5 DDBDRO C[NH2+]C[C@H]1CCCN1S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC000601337330 358504703 /nfs/dbraw/zinc/50/47/03/358504703.db2.gz BHFZKQCIBGJESC-SECBINFHSA-N 1 0 319.408 1.337 20 5 DDBDRO Cc1noc(C[N@@H+]2CCCC[C@H]2[C@H]2CNC(=O)C2)c1[N+](=O)[O-] ZINC000595406330 356481817 /nfs/dbraw/zinc/48/18/17/356481817.db2.gz BXHCMZIXAODAHS-MNOVXSKESA-N 1 0 308.338 1.382 20 5 DDBDRO Cc1noc(CN2CCC[C@H](Cn3ccnn3)C2)c1[N+](=O)[O-] ZINC000595395076 356476734 /nfs/dbraw/zinc/47/67/34/356476734.db2.gz GRAJYNXKVQJPNP-NSHDSACASA-N 1 0 306.326 1.395 20 5 DDBDRO Cc1cc(S(=O)(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)c([N+](=O)[O-])s1 ZINC000601341748 358506988 /nfs/dbraw/zinc/50/69/88/358506988.db2.gz BKTAHJYUMDCIJY-SFYZADRCSA-N 1 0 319.408 1.336 20 5 DDBDRO C[N@@H+](CC1=CCCOC1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000595746965 356633591 /nfs/dbraw/zinc/63/35/91/356633591.db2.gz HKKRKBGSQHPHNN-AWEZNQCLSA-N 1 0 322.361 1.613 20 5 DDBDRO CC[C@@H](C)[C@@H]([NH3+])C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000236955531 202092463 /nfs/dbraw/zinc/09/24/63/202092463.db2.gz JKSBZNFYNNBZHD-IUODEOHRSA-N 1 0 320.393 1.617 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CC[C@@H]3COC[C@H]3C2)c1 ZINC000595826891 356665749 /nfs/dbraw/zinc/66/57/49/356665749.db2.gz AWPAMPVMNJOSFM-UMVBOHGHSA-N 1 0 322.361 1.303 20 5 DDBDRO [NH3+][C@@H]1CCc2ccccc2N(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000595904037 356698961 /nfs/dbraw/zinc/69/89/61/356698961.db2.gz OFHSVIBJLOIQID-CYBMUJFWSA-N 1 0 301.350 1.571 20 5 DDBDRO Cc1c(C[NH3+])c(NC(=O)Cc2cccc([N+](=O)[O-])c2)nn1C ZINC000595959193 356724116 /nfs/dbraw/zinc/72/41/16/356724116.db2.gz CEJUOQUZTGXTTG-UHFFFAOYSA-N 1 0 303.322 1.277 20 5 DDBDRO C[NH2+]C[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000595981555 356734733 /nfs/dbraw/zinc/73/47/33/356734733.db2.gz FGIXJYUPVDBQCK-SSDOTTSWSA-N 1 0 316.155 1.695 20 5 DDBDRO COc1ccc(C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000237147772 202167893 /nfs/dbraw/zinc/16/78/93/202167893.db2.gz TYAKRYNPUYPXRP-NWDGAFQWSA-N 1 0 307.350 1.851 20 5 DDBDRO C[C@]1(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CC[NH2+]C1 ZINC000595992870 356739266 /nfs/dbraw/zinc/73/92/66/356739266.db2.gz TXDPJPLEYMGHIZ-HNNXBMFYSA-N 1 0 315.333 1.262 20 5 DDBDRO Cc1ccc(NCCCNC(=O)[C@H]2C[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000595937010 356712131 /nfs/dbraw/zinc/71/21/31/356712131.db2.gz CNSQQGYAFZGSGG-HAQNSBGRSA-N 1 0 306.366 1.559 20 5 DDBDRO COC(=O)c1cc(NC(=O)[C@@H]2CC[C@H]([NH3+])C2)cc([N+](=O)[O-])c1 ZINC000237186268 202181121 /nfs/dbraw/zinc/18/11/21/202181121.db2.gz BDIVQYQVCLZHCF-SCZZXKLOSA-N 1 0 307.306 1.447 20 5 DDBDRO COc1cc(N[C@@H](CO)C[NH+](C)C)c(Cl)cc1[N+](=O)[O-] ZINC000596244977 356830532 /nfs/dbraw/zinc/83/05/32/356830532.db2.gz TUDLHULHATVCJT-MRVPVSSYSA-N 1 0 303.746 1.591 20 5 DDBDRO CCc1nn(C)c(NCCN(C)CCC[NH+](C)C)c1[N+](=O)[O-] ZINC000596423840 356874388 /nfs/dbraw/zinc/87/43/88/356874388.db2.gz DBSVTQWIOLSZTP-UHFFFAOYSA-N 1 0 312.418 1.186 20 5 DDBDRO C[C@@H](CCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])[NH+](C)C ZINC000596424214 356874598 /nfs/dbraw/zinc/87/45/98/356874598.db2.gz DORJNWMLCCAFOD-JTQLQIEISA-N 1 0 315.395 1.750 20 5 DDBDRO CN(CC1C[NH+](C)C1)c1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000596452087 356883550 /nfs/dbraw/zinc/88/35/50/356883550.db2.gz BQWSAPBYIAAFAS-UHFFFAOYSA-N 1 0 303.322 1.241 20 5 DDBDRO CCOc1cc(C[NH2+][C@@H](C(N)=O)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000276905720 213165786 /nfs/dbraw/zinc/16/57/86/213165786.db2.gz MIHBFNKVJOGTAE-ZDUSSCGKSA-N 1 0 309.366 1.983 20 5 DDBDRO Cc1cc(N[C@@H](C)CN(C)CCC[NH+](C)C)ncc1[N+](=O)[O-] ZINC000596361262 356863422 /nfs/dbraw/zinc/86/34/22/356863422.db2.gz RBTGCOCHOJLDEC-ZDUSSCGKSA-N 1 0 309.414 1.982 20 5 DDBDRO C[C@H](CCNC(=O)NCCc1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000596518366 356904975 /nfs/dbraw/zinc/90/49/75/356904975.db2.gz VLGVISMHAXTKJW-GFCCVEGCSA-N 1 0 308.382 1.777 20 5 DDBDRO Cc1cccc(N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c1[N+](=O)[O-] ZINC000596539730 356911412 /nfs/dbraw/zinc/91/14/12/356911412.db2.gz QCLBNRYSUXSULP-CQSZACIVSA-N 1 0 305.378 1.939 20 5 DDBDRO Cc1nc(N2CCO[C@@H](CCC[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000596567833 356919703 /nfs/dbraw/zinc/91/97/03/356919703.db2.gz PWVHEGMMAMSORO-ZDUSSCGKSA-N 1 0 308.382 1.845 20 5 DDBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000597701287 357292035 /nfs/dbraw/zinc/29/20/35/357292035.db2.gz SDZZBUAQRQOMQY-ZYHUDNBSSA-N 1 0 309.370 1.077 20 5 DDBDRO COc1c(C(=O)N2CC[C@@H]([NH+](C)C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000597701465 357292215 /nfs/dbraw/zinc/29/22/15/357292215.db2.gz UKCSSVNJSBLWFZ-CMPLNLGQSA-N 1 0 307.350 1.768 20 5 DDBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC(C[NH+](C)C)C2)c1 ZINC000597708495 357295692 /nfs/dbraw/zinc/29/56/92/357295692.db2.gz MQDIPITYGSZUSD-UHFFFAOYSA-N 1 0 309.391 1.950 20 5 DDBDRO C[NH+](C)CC1CN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000597709541 357296508 /nfs/dbraw/zinc/29/65/08/357296508.db2.gz XIHLCYGSDHNIBI-UHFFFAOYSA-N 1 0 302.334 1.710 20 5 DDBDRO Cc1n[nH]c(C(=O)N2CCC[C@]3(CC[N@@H+](C)C3)C2)c1[N+](=O)[O-] ZINC000597714179 357298998 /nfs/dbraw/zinc/29/89/98/357298998.db2.gz HAIGTEOVKIDQSW-CQSZACIVSA-N 1 0 307.354 1.184 20 5 DDBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000597854617 357358683 /nfs/dbraw/zinc/35/86/83/357358683.db2.gz KCBVINOYRCLKGM-LBPRGKRZSA-N 1 0 323.397 1.418 20 5 DDBDRO Cc1nn(C)c(C(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000597855530 357359321 /nfs/dbraw/zinc/35/93/21/357359321.db2.gz SFSOITPRPAABKW-NSHDSACASA-N 1 0 323.397 1.487 20 5 DDBDRO CCN(C(=O)CN(C)c1ccccc1[N+](=O)[O-])[C@@H]1CC[N@H+](C)C1 ZINC000597944552 357393908 /nfs/dbraw/zinc/39/39/08/357393908.db2.gz FBKDZTXRTDRAII-CYBMUJFWSA-N 1 0 320.393 1.584 20 5 DDBDRO CCN(C(=O)Cc1ccc(F)cc1[N+](=O)[O-])[C@H]1CC[N@H+](C)C1 ZINC000597944665 357394178 /nfs/dbraw/zinc/39/41/78/357394178.db2.gz DNJNTWHSVJCOPE-ZDUSSCGKSA-N 1 0 309.341 1.829 20 5 DDBDRO O=C(CC[C@H]1CCC[NH2+]C1)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000598664707 357676691 /nfs/dbraw/zinc/67/66/91/357676691.db2.gz HUYBVQQXYNHBLQ-CYBMUJFWSA-N 1 0 321.377 1.870 20 5 DDBDRO [NH3+][C@]12CCC[C@@H]1CN(C(=O)COc1ccccc1[N+](=O)[O-])C2 ZINC000598666937 357677452 /nfs/dbraw/zinc/67/74/52/357677452.db2.gz CIVNXJRRIXBTND-ABAIWWIYSA-N 1 0 305.334 1.313 20 5 DDBDRO [NH3+][C@]12CCC[C@H]1CN(CCC(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC000598682018 357685591 /nfs/dbraw/zinc/68/55/91/357685591.db2.gz KPQHPYXTMBVGDN-LRDDRELGSA-N 1 0 318.377 1.737 20 5 DDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000598684995 357686409 /nfs/dbraw/zinc/68/64/09/357686409.db2.gz ZREDWWUXSYRSDR-WQGACYEGSA-N 1 0 318.377 1.735 20 5 DDBDRO COc1ccc(F)c(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000598729998 357706917 /nfs/dbraw/zinc/70/69/17/357706917.db2.gz QKKTWAMTRUECPC-LBPRGKRZSA-N 1 0 324.312 1.090 20 5 DDBDRO Cc1ccnc(N2CCC(C)([NH+]3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000599159697 357832580 /nfs/dbraw/zinc/83/25/80/357832580.db2.gz FVGFOVKLYWSVBL-UHFFFAOYSA-N 1 0 320.393 1.989 20 5 DDBDRO C[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)CC1(C)COC1 ZINC000599574055 357980370 /nfs/dbraw/zinc/98/03/70/357980370.db2.gz NDXJBNHZDCHPBR-CYBMUJFWSA-N 1 0 310.350 1.303 20 5 DDBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000599624803 357997186 /nfs/dbraw/zinc/99/71/86/357997186.db2.gz WSELLIRYEIUORU-VBNZEHGJSA-N 1 0 308.378 1.969 20 5 DDBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH+](CCO)CCO)o2)c1 ZINC000600178750 358148545 /nfs/dbraw/zinc/14/85/45/358148545.db2.gz FULOFIRVTQGDBU-UHFFFAOYSA-N 1 0 306.318 1.641 20 5 DDBDRO C[N@@H+]1CCCC[C@@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000600312969 358193104 /nfs/dbraw/zinc/19/31/04/358193104.db2.gz WHNXDRBKJSGGRI-JTQLQIEISA-N 1 0 324.356 1.778 20 5 DDBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000237356677 202242621 /nfs/dbraw/zinc/24/26/21/202242621.db2.gz OYVDQCDDHHWCSX-NOZJJQNGSA-N 1 0 309.391 1.929 20 5 DDBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]C[C@@H]3COCCN3)o2)c1 ZINC000600678506 358280630 /nfs/dbraw/zinc/28/06/30/358280630.db2.gz RPUWFGFAXTYVFA-CYBMUJFWSA-N 1 0 317.345 1.933 20 5 DDBDRO C[NH2+]CCn1cc(-c2ccc(C(=O)OC)cc2[N+](=O)[O-])cn1 ZINC000600783970 358314392 /nfs/dbraw/zinc/31/43/92/358314392.db2.gz IGSQKZCVNPFMRV-UHFFFAOYSA-N 1 0 304.306 1.464 20 5 DDBDRO O=C(NCC[N@H+]1CC[C@H](O)C1)c1ccc([N+](=O)[O-])cc1Cl ZINC000600808738 358320873 /nfs/dbraw/zinc/32/08/73/358320873.db2.gz QOALUDXFZNWPHD-JTQLQIEISA-N 1 0 313.741 1.045 20 5 DDBDRO C[NH2+]C1(CNC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CCC1 ZINC000600827976 358327599 /nfs/dbraw/zinc/32/75/99/358327599.db2.gz ZPYBDQQLCWMOPB-UHFFFAOYSA-N 1 0 319.361 1.816 20 5 DDBDRO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NC[C@@H]1CC[N@H+](C)C1 ZINC000601114531 358407813 /nfs/dbraw/zinc/40/78/13/358407813.db2.gz QOZQLONNZWLNTL-ZETCQYMHSA-N 1 0 307.276 1.711 20 5 DDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000601555361 358599431 /nfs/dbraw/zinc/59/94/31/358599431.db2.gz FCJROHCELVHKFE-ZFWWWQNUSA-N 1 0 303.362 1.738 20 5 DDBDRO C[NH+]1CCC2(CC1)CC(=O)NN(c1ccc([N+](=O)[O-])cc1)C2=O ZINC000601933041 358743811 /nfs/dbraw/zinc/74/38/11/358743811.db2.gz ABAUZUPOXAMIFN-UHFFFAOYSA-N 1 0 318.333 1.075 20 5 DDBDRO CC[NH+](CC)CCOCCNC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000348162815 283397481 /nfs/dbraw/zinc/39/74/81/283397481.db2.gz LKSAXGWXEUDWLG-UHFFFAOYSA-N 1 0 323.393 1.991 20 5 DDBDRO C[N@@H+]1CC[C@H](CC(=O)N[C@](C)(CO)c2cccc([N+](=O)[O-])c2)C1 ZINC000602195464 358876814 /nfs/dbraw/zinc/87/68/14/358876814.db2.gz LSUJJTKVKJUDQE-MLGOLLRUSA-N 1 0 321.377 1.260 20 5 DDBDRO CC[NH2+][C@H](C)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000602430479 358970464 /nfs/dbraw/zinc/97/04/64/358970464.db2.gz NKLSFOXKXXIBDN-GFCCVEGCSA-N 1 0 306.366 1.241 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CCC[C@@H]3CCO3)CC2)cn1 ZINC000602437542 358975417 /nfs/dbraw/zinc/97/54/17/358975417.db2.gz BQGZQWHGEKPVJN-CQSZACIVSA-N 1 0 306.366 1.681 20 5 DDBDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000185802909 199889186 /nfs/dbraw/zinc/88/91/86/199889186.db2.gz JHLOCUNSEWBDMT-GHMZBOCLSA-N 1 0 308.338 1.298 20 5 DDBDRO C[C@](O)(C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C1CC1 ZINC000602544615 359036475 /nfs/dbraw/zinc/03/64/75/359036475.db2.gz IHBREUQKVSSDEO-INIZCTEOSA-N 1 0 320.393 1.709 20 5 DDBDRO C[C@@H](C[NH2+]CCc1ccc([N+](=O)[O-])cc1)CN1CCOCC1 ZINC000602551225 359040680 /nfs/dbraw/zinc/04/06/80/359040680.db2.gz OJBYQVJADRZGCJ-AWEZNQCLSA-N 1 0 307.394 1.695 20 5 DDBDRO CO[C@H]1C[NH2+][C@@](C)(C(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000602457950 358991232 /nfs/dbraw/zinc/99/12/32/358991232.db2.gz JXOZLNDWKIJGSN-IUODEOHRSA-N 1 0 307.350 1.021 20 5 DDBDRO C[C@H](C[NH3+])CNC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000602480643 359005778 /nfs/dbraw/zinc/00/57/78/359005778.db2.gz HYWAQMYMOPVHCE-SSDOTTSWSA-N 1 0 316.155 1.682 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+](Cc1ccccc1)C[C@@H](C)O ZINC000602781559 359185799 /nfs/dbraw/zinc/18/57/99/359185799.db2.gz TVCIFOBKMGTBAA-CYBMUJFWSA-N 1 0 318.377 1.983 20 5 DDBDRO C[C@]12C[NH+](Cc3ccc([N+](=O)[O-])cc3)C[C@]1(C)C(=O)NC2=O ZINC000602731569 359153980 /nfs/dbraw/zinc/15/39/80/359153980.db2.gz NHPPDELJUKVNEZ-HUUCEWRRSA-N 1 0 303.318 1.079 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@H](OC(F)F)C1 ZINC000602809091 359205800 /nfs/dbraw/zinc/20/58/00/359205800.db2.gz YQXRPXUYBIQSKX-JTQLQIEISA-N 1 0 304.297 1.803 20 5 DDBDRO Cn1cc(C[NH2+][C@@H]2CCCC[C@H]2N2CCOCC2)c([N+](=O)[O-])n1 ZINC000602813893 359209282 /nfs/dbraw/zinc/20/92/82/359209282.db2.gz AKBASYCXCCPUAZ-ZIAGYGMSSA-N 1 0 323.397 1.061 20 5 DDBDRO Cn1cc([C@H]2C[N@H+](Cc3cn(C)nc3[N+](=O)[O-])CC2(C)C)cn1 ZINC000602832559 359224112 /nfs/dbraw/zinc/22/41/12/359224112.db2.gz PXPBLJQCIWLKAN-CYBMUJFWSA-N 1 0 318.381 1.687 20 5 DDBDRO C[C@@H]1CC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@H](CO)C1 ZINC000602930625 359300835 /nfs/dbraw/zinc/30/08/35/359300835.db2.gz IDILTDPBBBZSBQ-HZSPNIEDSA-N 1 0 324.377 1.427 20 5 DDBDRO C[C@](CO)([NH2+]CCCn1ccnc1)c1cccc([N+](=O)[O-])c1 ZINC000602961530 359323881 /nfs/dbraw/zinc/32/38/81/359323881.db2.gz BHDUKAPHUGTZFL-OAHLLOKOSA-N 1 0 304.350 1.679 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1Cn1cc(C[C@H]2CC[NH2+]C2)nn1 ZINC000603244335 359511314 /nfs/dbraw/zinc/51/13/14/359511314.db2.gz TZCIHULYLONCHI-LLVKDONJSA-N 1 0 317.349 1.395 20 5 DDBDRO C[C@H]1COCC[N@@H+]1C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000603401187 359617745 /nfs/dbraw/zinc/61/77/45/359617745.db2.gz ITZREGFHQXAJGW-LBPRGKRZSA-N 1 0 306.366 1.679 20 5 DDBDRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000237555916 202281638 /nfs/dbraw/zinc/28/16/38/202281638.db2.gz TVDXZADYHAEZKR-TVQRCGJNSA-N 1 0 317.349 1.813 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000604229146 359728210 /nfs/dbraw/zinc/72/82/10/359728210.db2.gz DRQVBEICLPUGJU-JTQLQIEISA-N 1 0 308.338 1.819 20 5 DDBDRO COC1(CO)CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000618551717 363668688 /nfs/dbraw/zinc/66/86/88/363668688.db2.gz ODKFLWYNTKJUQI-UHFFFAOYSA-N 1 0 310.350 1.447 20 5 DDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])[C@H]1CC12CC[NH2+]CC2 ZINC000237891729 202380883 /nfs/dbraw/zinc/38/08/83/202380883.db2.gz GMCUOVYQIWWKJG-CYBMUJFWSA-N 1 0 303.362 1.643 20 5 DDBDRO CC(C)(C(=O)N1CC[NH+](CC2CC2)CC1)n1cc([N+](=O)[O-])cn1 ZINC000608812620 360246805 /nfs/dbraw/zinc/24/68/05/360246805.db2.gz WBOYMEHGMWVIOR-UHFFFAOYSA-N 1 0 321.381 1.081 20 5 DDBDRO CNc1ccc(C(=O)N[C@@H]2CC[N@H+](CCOC)C2)cc1[N+](=O)[O-] ZINC000609347444 360299477 /nfs/dbraw/zinc/29/94/77/360299477.db2.gz KZBWNCUZHQBOJO-GFCCVEGCSA-N 1 0 322.365 1.087 20 5 DDBDRO CNC(=O)c1ccc(N[C@H]2CC[N@H+](CC3CC3)C2)c([N+](=O)[O-])c1 ZINC000609384324 360303369 /nfs/dbraw/zinc/30/33/69/360303369.db2.gz JDQLWRKFZMTUDE-ZDUSSCGKSA-N 1 0 318.377 1.851 20 5 DDBDRO O=[N+]([O-])c1ncccc1NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000609894045 360362945 /nfs/dbraw/zinc/36/29/45/360362945.db2.gz PLFZHKZYYMOHKW-GFCCVEGCSA-N 1 0 306.366 1.903 20 5 DDBDRO COc1ccc(OCC[N@H+](C)Cc2cn[nH]c2)c([N+](=O)[O-])c1 ZINC000610662218 360495017 /nfs/dbraw/zinc/49/50/17/360495017.db2.gz XSOJCBFLEYKWNI-UHFFFAOYSA-N 1 0 306.322 1.837 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c1 ZINC000610677394 360502211 /nfs/dbraw/zinc/50/22/11/360502211.db2.gz AEQYLHVPPQVUET-HOCLYGCPSA-N 1 0 305.378 1.939 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)N[C@H](C)C2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000610923827 360572498 /nfs/dbraw/zinc/57/24/98/360572498.db2.gz XYJSSKMLBHHVJS-SNVBAGLBSA-N 1 0 323.397 1.901 20 5 DDBDRO O=[N+]([O-])c1cccc(CC[NH2+]C[C@@H]2CNc3ccnn3C2)c1 ZINC000611146485 360637201 /nfs/dbraw/zinc/63/72/01/360637201.db2.gz JRKHGXARESDYNS-CYBMUJFWSA-N 1 0 301.350 1.665 20 5 DDBDRO C[C@H](NC(=O)[C@@H]1C[N@@H+]2CCN1CCC2)c1cccc([N+](=O)[O-])c1 ZINC000611201351 360657714 /nfs/dbraw/zinc/65/77/14/360657714.db2.gz UAPCPWTVCHOIQV-WFASDCNBSA-N 1 0 318.377 1.162 20 5 DDBDRO CC(C)[NH2+][C@H]1CCCN(c2ccc3ncc([N+](=O)[O-])n3n2)C1 ZINC000611240179 360675653 /nfs/dbraw/zinc/67/56/53/360675653.db2.gz IWICGDMBNALMFQ-NSHDSACASA-N 1 0 304.354 1.604 20 5 DDBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC([NH2+]CCO)CC1 ZINC000611408310 360713566 /nfs/dbraw/zinc/71/35/66/360713566.db2.gz SHLSQXMUSPPZMK-UHFFFAOYSA-N 1 0 308.338 1.173 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(N2CCC[C@H]([NH+]3CCOCC3)CC2)n1 ZINC000565844274 304098041 /nfs/dbraw/zinc/09/80/41/304098041.db2.gz VLIDYNKVMRIXBT-AWEZNQCLSA-N 1 0 320.393 1.989 20 5 DDBDRO Cc1nn(CCC(=O)N[C@H]2CCC[NH2+][C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000193555682 201074018 /nfs/dbraw/zinc/07/40/18/201074018.db2.gz ICHIZOBKBGGNBO-SKDRFNHKSA-N 1 0 309.370 1.055 20 5 DDBDRO C[C@H](CCNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000193960368 201153265 /nfs/dbraw/zinc/15/32/65/201153265.db2.gz BVLNAZXOCHRMLL-LLVKDONJSA-N 1 0 322.365 1.690 20 5 DDBDRO CNc1ccc(C(=O)N2CCC([C@@H](C)[NH3+])CC2)cc1[N+](=O)[O-] ZINC000566008532 304110109 /nfs/dbraw/zinc/11/01/09/304110109.db2.gz MVNYAZBCJAKZTH-SNVBAGLBSA-N 1 0 306.366 1.836 20 5 DDBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]CCN1CC=CCC1)OCCO2 ZINC000619433167 364007003 /nfs/dbraw/zinc/00/70/03/364007003.db2.gz ZWMYNCSDRIADNE-UHFFFAOYSA-N 1 0 319.361 1.718 20 5 DDBDRO COc1c(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)cccc1[N+](=O)[O-] ZINC000619435626 364007447 /nfs/dbraw/zinc/00/74/47/364007447.db2.gz MCYGHVBJDRQVDH-LBPRGKRZSA-N 1 0 319.361 1.818 20 5 DDBDRO CNC(=O)c1ccc(NCC2([NH+](C)C)CCC2)c([N+](=O)[O-])c1 ZINC000275522284 212392133 /nfs/dbraw/zinc/39/21/33/212392133.db2.gz WTCMDUGPZRVZFA-UHFFFAOYSA-N 1 0 306.366 1.851 20 5 DDBDRO CCC[C@@H]1C[NH2+]CCN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000359219671 299361371 /nfs/dbraw/zinc/36/13/71/299361371.db2.gz BVHJYYRXGWYKLV-GFCCVEGCSA-N 1 0 307.350 1.574 20 5 DDBDRO C[NH+](C)C[C@@H]1CCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000275229527 212209554 /nfs/dbraw/zinc/20/95/54/212209554.db2.gz JFAMWJXIQATJIB-AWEZNQCLSA-N 1 0 320.393 1.730 20 5 DDBDRO C[C@H]1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)[C@@H](C[NH3+])C1 ZINC000261904281 203148758 /nfs/dbraw/zinc/14/87/58/203148758.db2.gz WPVRTCWQWZSVGM-WCQYABFASA-N 1 0 307.350 1.559 20 5 DDBDRO O=C(CC[C@H]1CC[NH2+]C1)NCCNc1ccccc1[N+](=O)[O-] ZINC000261864668 203137641 /nfs/dbraw/zinc/13/76/41/203137641.db2.gz QAAFIEBKNKSNDO-LBPRGKRZSA-N 1 0 306.366 1.513 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@H+](Cc1ccncc1)C1CC1 ZINC000093221573 193217878 /nfs/dbraw/zinc/21/78/78/193217878.db2.gz VKOWRAODXWNREV-UHFFFAOYSA-N 1 0 314.345 1.816 20 5 DDBDRO C[C@@H](N[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)[C@H](C)[NH3+] ZINC000423472821 296154505 /nfs/dbraw/zinc/15/45/05/296154505.db2.gz QJMVVZYNQQDIGL-MISXGVKJSA-N 1 0 303.366 1.743 20 5 DDBDRO C[C@@H]([NH2+]CC1(OCCO)CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000282456859 217010504 /nfs/dbraw/zinc/01/05/04/217010504.db2.gz FUCNCXSCTNNAEP-CYBMUJFWSA-N 1 0 324.377 1.804 20 5 DDBDRO CCCc1n[nH]c(C(=O)NC[C@H](C)C[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000264670115 204066087 /nfs/dbraw/zinc/06/60/87/204066087.db2.gz LKFFJGVSKGNADC-NSHDSACASA-N 1 0 323.397 1.732 20 5 DDBDRO COc1ccc(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000264672159 204069240 /nfs/dbraw/zinc/06/92/40/204069240.db2.gz WWZKVJYWOFZCLG-LLVKDONJSA-N 1 0 319.361 1.818 20 5 DDBDRO CC(C)CN(C(=O)Cn1ccc([N+](=O)[O-])n1)C1CC[NH+](C)CC1 ZINC000265044991 204364105 /nfs/dbraw/zinc/36/41/05/204364105.db2.gz OBJFBLIRHJWAOR-UHFFFAOYSA-N 1 0 323.397 1.370 20 5 DDBDRO C[C@H](O)C[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)[C@@H](C)C1 ZINC000282496769 217041082 /nfs/dbraw/zinc/04/10/82/217041082.db2.gz NAPSMDDDCFBNAH-RYUDHWBXSA-N 1 0 311.357 1.621 20 5 DDBDRO NC(=O)[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000282802544 217260109 /nfs/dbraw/zinc/26/01/09/217260109.db2.gz XGPLYJLMHXXMFM-CYBMUJFWSA-N 1 0 320.349 1.263 20 5 DDBDRO CCc1n[nH]c(C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000266445139 205352828 /nfs/dbraw/zinc/35/28/28/205352828.db2.gz BGXIXVPMJRKZAG-NSHDSACASA-N 1 0 323.397 1.827 20 5 DDBDRO Cc1ccccc1[C@@H](C)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000098124415 193788389 /nfs/dbraw/zinc/78/83/89/193788389.db2.gz BCCPCNZHMOLJSF-TZMCWYRMSA-N 1 0 304.350 1.811 20 5 DDBDRO CCOC(=O)[C@H](C)[C@H](C)[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000274126855 211380488 /nfs/dbraw/zinc/38/04/88/211380488.db2.gz XXDLSIWWDLNVKV-ZJUUUORDSA-N 1 0 323.349 1.371 20 5 DDBDRO CO[C@H]1C[C@@H](CN(C)C(=O)c2cccc(C)c2[N+](=O)[O-])[N@H+](C)C1 ZINC000284583504 218089690 /nfs/dbraw/zinc/08/96/90/218089690.db2.gz IKYWOFFPUIEWTP-STQMWFEESA-N 1 0 321.377 1.694 20 5 DDBDRO C[NH+](C)[C@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)C1CCCCC1 ZINC000285296947 218370614 /nfs/dbraw/zinc/37/06/14/218370614.db2.gz VUYSVKVPHFDNST-GFCCVEGCSA-N 1 0 309.370 1.558 20 5 DDBDRO Cc1c(Cl)cc(S(=O)(=O)N2CC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000050241900 183778710 /nfs/dbraw/zinc/77/87/10/183778710.db2.gz FIHWZIHFTCDESF-QMMMGPOBSA-N 1 0 319.770 1.278 20 5 DDBDRO CN1C[C@H]([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1=O ZINC000268863041 207030581 /nfs/dbraw/zinc/03/05/81/207030581.db2.gz RVQXHFSIBMMEQM-KGLIPLIRSA-N 1 0 303.362 1.736 20 5 DDBDRO O=[N+]([O-])c1ccccc1OCC[NH2+][C@@H](CO)[C@H]1CCCOC1 ZINC000411992779 223940616 /nfs/dbraw/zinc/94/06/16/223940616.db2.gz KHARYHGCAWVMFU-STQMWFEESA-N 1 0 310.350 1.351 20 5 DDBDRO C[NH2+][C@H]1CCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000269117289 207255273 /nfs/dbraw/zinc/25/52/73/207255273.db2.gz HUQAOKJZUTVXGE-LBPRGKRZSA-N 1 0 315.333 1.214 20 5 DDBDRO CNC(=O)C1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000065532366 184362027 /nfs/dbraw/zinc/36/20/27/184362027.db2.gz DSLSCYXPDBCZKH-UHFFFAOYSA-N 1 0 307.350 1.432 20 5 DDBDRO COc1cc(C(=O)N[C@@H](C[NH3+])C2CC2)cc([N+](=O)[O-])c1OC ZINC000269196720 207315771 /nfs/dbraw/zinc/31/57/71/207315771.db2.gz RXXMMUXQVVMPSD-JTQLQIEISA-N 1 0 309.322 1.079 20 5 DDBDRO COc1cc(C(=O)NC[C@H]2CCC[NH2+]C2)cc([N+](=O)[O-])c1OC ZINC000269238942 207368768 /nfs/dbraw/zinc/36/87/68/207368768.db2.gz XGEVPULXAGRICA-JTQLQIEISA-N 1 0 323.349 1.341 20 5 DDBDRO Cc1ccc([C@@H](C)NC(=O)C[C@@H]2C[NH2+]CCO2)cc1[N+](=O)[O-] ZINC000269250694 207388170 /nfs/dbraw/zinc/38/81/70/207388170.db2.gz SMCWCTQMLHOZCK-DGCLKSJQSA-N 1 0 307.350 1.459 20 5 DDBDRO C[NH2+][C@@H]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000420269199 532970683 /nfs/dbraw/zinc/97/06/83/532970683.db2.gz HOZFCPJCFDKDSG-SECBINFHSA-N 1 0 312.757 1.480 20 5 DDBDRO CCOCC[NH+]1CCN(Cc2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000352415304 285035709 /nfs/dbraw/zinc/03/57/09/285035709.db2.gz ACQYAZQFYCXKMS-UHFFFAOYSA-N 1 0 323.393 1.758 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000157712844 197209895 /nfs/dbraw/zinc/20/98/95/197209895.db2.gz AHZPSSCYXCLFNZ-GWCFXTLKSA-N 1 0 306.366 1.518 20 5 DDBDRO C[C@@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC000154876438 197000443 /nfs/dbraw/zinc/00/04/43/197000443.db2.gz NZVJARWHISDWFN-NSHDSACASA-N 1 0 317.349 1.568 20 5 DDBDRO CN1CC[C@@H]([N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1=O ZINC000352700714 285238848 /nfs/dbraw/zinc/23/88/48/285238848.db2.gz UFJJWJOORWPDPX-CYBMUJFWSA-N 1 0 320.349 1.086 20 5 DDBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]CCN2CCC(O)CC2)c1 ZINC000294723607 224193415 /nfs/dbraw/zinc/19/34/15/224193415.db2.gz BANPJEALBYRWQO-UHFFFAOYSA-N 1 0 313.785 1.795 20 5 DDBDRO CN(C)CC[N@H+](C)CCCNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000289688761 221156801 /nfs/dbraw/zinc/15/68/01/221156801.db2.gz HKMLLFGRHUFZPI-UHFFFAOYSA-N 1 0 323.397 1.600 20 5 DDBDRO Cc1n[nH]c(C(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000352820995 285320781 /nfs/dbraw/zinc/32/07/81/285320781.db2.gz RPDFTKVLHXIVLU-ZJUUUORDSA-N 1 0 309.370 1.477 20 5 DDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H]([NH3+])C1 ZINC000122446633 195452145 /nfs/dbraw/zinc/45/21/45/195452145.db2.gz NWNASJGKTPOGBW-LLVKDONJSA-N 1 0 313.379 1.269 20 5 DDBDRO COc1ccc(CNC(=O)N[C@@H]2C[NH2+]CC[C@H]2C)cc1[N+](=O)[O-] ZINC000417177110 533628627 /nfs/dbraw/zinc/62/86/27/533628627.db2.gz CQNKBYYLXUNGBK-ZYHUDNBSSA-N 1 0 322.365 1.401 20 5 DDBDRO COc1ccc(CNC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000417198270 533632366 /nfs/dbraw/zinc/63/23/66/533632366.db2.gz QXNIPYONECKWID-NEPJUHHUSA-N 1 0 322.365 1.673 20 5 DDBDRO Cc1n[nH]c(C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000299449230 533665417 /nfs/dbraw/zinc/66/54/17/533665417.db2.gz PWYPTCSQJRHULP-PHIMTYICSA-N 1 0 323.397 1.724 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000193398588 291997650 /nfs/dbraw/zinc/99/76/50/291997650.db2.gz WVZPRUIPQATBIB-JOYOIKCWSA-N 1 0 313.379 1.180 20 5 DDBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@@H](CO)C1CCOCC1 ZINC000579730084 422824502 /nfs/dbraw/zinc/82/45/02/422824502.db2.gz BRWCGELCZWOJNP-CABCVRRESA-N 1 0 306.362 1.959 20 5 DDBDRO CNc1ccc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-] ZINC000569600629 304367843 /nfs/dbraw/zinc/36/78/43/304367843.db2.gz GXHLQTIYQLSZKD-TXEJJXNPSA-N 1 0 304.350 1.603 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@@](C)(C[NH3+])C1 ZINC000261655713 407570082 /nfs/dbraw/zinc/57/00/82/407570082.db2.gz FLHYGMCDNLYECA-HNNXBMFYSA-N 1 0 322.365 1.213 20 5 DDBDRO CCC(CC)(C[NH3+])NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000516274911 307414508 /nfs/dbraw/zinc/41/45/08/307414508.db2.gz FSHWGJCTXGXVHX-UHFFFAOYSA-N 1 0 309.322 1.571 20 5 DDBDRO CN1CC[N@H+](C)C[C@H]1CNCc1cc([N+](=O)[O-])ccc1Cl ZINC000068800582 406662076 /nfs/dbraw/zinc/66/20/76/406662076.db2.gz MEJMBFGNHDZNBO-CYBMUJFWSA-N 1 0 312.801 1.584 20 5 DDBDRO Cc1ccc(S(=O)(=O)NC[C@@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000070447422 406817503 /nfs/dbraw/zinc/81/75/03/406817503.db2.gz PDOVYXDQWRRAPH-LLVKDONJSA-N 1 0 301.368 1.165 20 5 DDBDRO COCC[N@H+](C)CCCNc1nc2sccn2c1[N+](=O)[O-] ZINC000075676862 406939550 /nfs/dbraw/zinc/93/95/50/406939550.db2.gz KJGWRLAINAWQHH-UHFFFAOYSA-N 1 0 313.383 1.684 20 5 DDBDRO CCS(=O)(=O)CCC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000086973959 407113563 /nfs/dbraw/zinc/11/35/63/407113563.db2.gz JMLYIQNEPUNXON-UHFFFAOYSA-N 1 0 300.380 1.552 20 5 DDBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000090554572 407169554 /nfs/dbraw/zinc/16/95/54/407169554.db2.gz RXXQAWZWGBXOIU-YUELXQCFSA-N 1 0 321.377 1.502 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C2CC2)[NH+](C)C)c1 ZINC000067752237 407282988 /nfs/dbraw/zinc/28/29/88/407282988.db2.gz HCRYNJLSSBXSIR-AWEZNQCLSA-N 1 0 307.350 1.673 20 5 DDBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000097667751 407301364 /nfs/dbraw/zinc/30/13/64/407301364.db2.gz GDHHXCFIRXVDHA-WDEREUQCSA-N 1 0 322.365 1.133 20 5 DDBDRO CN(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000106885647 407365216 /nfs/dbraw/zinc/36/52/16/407365216.db2.gz IEQHSXBAOSRMTK-SNVBAGLBSA-N 1 0 313.741 1.907 20 5 DDBDRO C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)CCN1CCOCC1 ZINC000112406703 407429161 /nfs/dbraw/zinc/42/91/61/407429161.db2.gz RITXUTUXHJPJBV-UHFFFAOYSA-N 1 0 323.393 1.628 20 5 DDBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000113198163 407472838 /nfs/dbraw/zinc/47/28/38/407472838.db2.gz AZKZIYLUTIGOGI-GFCCVEGCSA-N 1 0 309.370 1.172 20 5 DDBDRO COC(=O)c1cc(NC(=O)C[C@H]2CCC[NH2+]2)cc([N+](=O)[O-])c1 ZINC000151715066 407484329 /nfs/dbraw/zinc/48/43/29/407484329.db2.gz GTGIVHFUBIIRMS-SNVBAGLBSA-N 1 0 307.306 1.462 20 5 DDBDRO C[NH+](C)CC1(CNC(=O)Cn2cc([N+](=O)[O-])cn2)CCCC1 ZINC000185873784 407525512 /nfs/dbraw/zinc/52/55/12/407525512.db2.gz XAPNZBOSWUZXIQ-UHFFFAOYSA-N 1 0 309.370 1.030 20 5 DDBDRO CCC[C@@](C)([NH3+])C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000261750285 407600178 /nfs/dbraw/zinc/60/01/78/407600178.db2.gz OUDBXFFLQYRJFA-MRXNPFEDSA-N 1 0 320.393 1.761 20 5 DDBDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000271326462 407636075 /nfs/dbraw/zinc/63/60/75/407636075.db2.gz AEIVBBQOSZJZOF-LLVKDONJSA-N 1 0 309.370 1.179 20 5 DDBDRO Cn1ccnc1[C@H]1C[NH2+]CCN1Cc1csc([N+](=O)[O-])c1 ZINC000261846505 407637675 /nfs/dbraw/zinc/63/76/75/407637675.db2.gz XISWOKSAEAYJBL-LLVKDONJSA-N 1 0 307.379 1.536 20 5 DDBDRO C[NH2+][C@@H]1CCCN(CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000261853736 407641730 /nfs/dbraw/zinc/64/17/30/407641730.db2.gz YJKATMNFNXOLKA-LLVKDONJSA-N 1 0 322.365 1.226 20 5 DDBDRO C[C@@H]1OCC[C@]1(O)C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000227966858 407642588 /nfs/dbraw/zinc/64/25/88/407642588.db2.gz GJRWTJZLXKFACD-ZANVPECISA-N 1 0 300.742 1.878 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC[C@H]2CCC[NH2+]2)c1C ZINC000178921617 407658185 /nfs/dbraw/zinc/65/81/85/407658185.db2.gz ZZASWNVSNGFTMR-LLVKDONJSA-N 1 0 313.379 1.242 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N(C)[C@@H]2CC[NH2+]C2)c1C ZINC000178949535 407668149 /nfs/dbraw/zinc/66/81/49/407668149.db2.gz HXKFAIRRSVDZGK-LLVKDONJSA-N 1 0 313.379 1.194 20 5 DDBDRO Cn1c(C(=O)NC[C@@H]2[NH2+]CCc3ccccc32)ccc1[N+](=O)[O-] ZINC000261915719 407668925 /nfs/dbraw/zinc/66/89/25/407668925.db2.gz QVZCVEVFYDVKJD-ZDUSSCGKSA-N 1 0 314.345 1.550 20 5 DDBDRO Cc1cccc(C(=O)N2C[C@H]3OCCN(C)[C@@H]3C2)c1[N+](=O)[O-] ZINC000152874405 407706477 /nfs/dbraw/zinc/70/64/77/407706477.db2.gz PGUJWVDYVWMDTK-CHWSQXEVSA-N 1 0 305.334 1.058 20 5 DDBDRO C[C@H](O)C[C@H]1CCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000152879540 407709746 /nfs/dbraw/zinc/70/97/46/407709746.db2.gz PTXFMOQIANTXKX-GUTXKFCHSA-N 1 0 324.377 1.570 20 5 DDBDRO O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171584484 407712212 /nfs/dbraw/zinc/71/22/12/407712212.db2.gz NBTVRIHNBQAFBW-HSBSLETESA-N 1 0 301.346 1.915 20 5 DDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000235431542 407719753 /nfs/dbraw/zinc/71/97/53/407719753.db2.gz OKNRATRWQDDADT-KOLCDFICSA-N 1 0 313.379 1.322 20 5 DDBDRO C[C@H](O)C[C@H]1CCC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000152996003 407730552 /nfs/dbraw/zinc/73/05/52/407730552.db2.gz DWWHCTPMIMPWSH-SWLSCSKDSA-N 1 0 321.377 1.793 20 5 DDBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)CC[N@H+](C)C1CC1 ZINC000186758713 407767210 /nfs/dbraw/zinc/76/72/10/407767210.db2.gz FVECSPLNBAMNCT-LBPRGKRZSA-N 1 0 320.393 1.948 20 5 DDBDRO O=C(NC1CC[NH+](C2CC2)CC1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000186838902 407783015 /nfs/dbraw/zinc/78/30/15/407783015.db2.gz CDDXUPIRBQEEMX-UHFFFAOYSA-N 1 0 306.322 1.052 20 5 DDBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC[NH2+]C1CC1 ZINC000237356556 407816781 /nfs/dbraw/zinc/81/67/81/407816781.db2.gz OADLEUYKUKDUOL-SNVBAGLBSA-N 1 0 309.391 1.944 20 5 DDBDRO [NH3+]C1(CC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CCC1 ZINC000237989359 407863510 /nfs/dbraw/zinc/86/35/10/407863510.db2.gz IPNXWTOYGHNWSP-UHFFFAOYSA-N 1 0 318.377 1.515 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(NCCC[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC000268033998 407863910 /nfs/dbraw/zinc/86/39/10/407863910.db2.gz LTRCVEVCIHXLKH-AWEZNQCLSA-N 1 0 306.366 1.655 20 5 DDBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C1CCS(=O)(=O)CC1 ZINC000187318095 407843388 /nfs/dbraw/zinc/84/33/88/407843388.db2.gz CFHSYCJNXQWZMP-NSHDSACASA-N 1 0 312.391 1.898 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)c1n[nH]c2c1C[NH2+]CC2 ZINC000188190254 407923054 /nfs/dbraw/zinc/92/30/54/407923054.db2.gz WUCGELAZLYNAKM-UHFFFAOYSA-N 1 0 301.306 1.524 20 5 DDBDRO Cn1cc(CN2CC[NH+](C)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000154401327 408033192 /nfs/dbraw/zinc/03/31/92/408033192.db2.gz HCZKTMLVLIHUGS-UHFFFAOYSA-N 1 0 315.377 1.743 20 5 DDBDRO COC(=O)CNC(=O)CC[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181823088 408044370 /nfs/dbraw/zinc/04/43/70/408044370.db2.gz LROSNFXTEBSZBN-NSHDSACASA-N 1 0 323.349 1.233 20 5 DDBDRO C[NH+](C)Cc1ccc(CNC(=O)c2[nH]ncc2[N+](=O)[O-])cc1F ZINC000135191549 407988736 /nfs/dbraw/zinc/98/87/36/407988736.db2.gz OHHDZUAOJWFLMG-UHFFFAOYSA-N 1 0 321.312 1.449 20 5 DDBDRO O=[N+]([O-])c1cnn(CCN2CCC[C@H]2C[NH+]2CCCCC2)c1 ZINC000174844270 407995910 /nfs/dbraw/zinc/99/59/10/407995910.db2.gz RSNBUJRVWSSMQZ-AWEZNQCLSA-N 1 0 307.398 1.742 20 5 DDBDRO Cc1nc(NCCC[N@@H+]2CCC[C@H]2C(N)=O)ccc1[N+](=O)[O-] ZINC000268505469 408074968 /nfs/dbraw/zinc/07/49/68/408074968.db2.gz QYJCYZHVXLHHHI-LBPRGKRZSA-N 1 0 307.354 1.050 20 5 DDBDRO C[C@@H]1CCC[C@H](CO)[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000136170970 408086471 /nfs/dbraw/zinc/08/64/71/408086471.db2.gz KNVDZKVPTDSYKV-YUELXQCFSA-N 1 0 324.377 1.570 20 5 DDBDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C1 ZINC000175445446 408134012 /nfs/dbraw/zinc/13/40/12/408134012.db2.gz AVWNNQCYBRYRHT-NXEZZACHSA-N 1 0 308.338 1.298 20 5 DDBDRO COc1ccc([C@@H](CCO)[NH2+]CCn2ccc([N+](=O)[O-])n2)cc1 ZINC000182379618 408142421 /nfs/dbraw/zinc/14/24/21/408142421.db2.gz BTRHZBLOFSEAKJ-CQSZACIVSA-N 1 0 320.349 1.513 20 5 DDBDRO CC[C@@H](COC)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000273450778 408204715 /nfs/dbraw/zinc/20/47/15/408204715.db2.gz OQDFVKVKZNEUSX-NSHDSACASA-N 1 0 316.379 1.383 20 5 DDBDRO C[NH2+]C[C@@H]1CCCN1S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000156618987 408267462 /nfs/dbraw/zinc/26/74/62/408267462.db2.gz UIFCKFJYHVBVRD-NSHDSACASA-N 1 0 313.379 1.276 20 5 DDBDRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000246545905 408290446 /nfs/dbraw/zinc/29/04/46/408290446.db2.gz QMPVBLWYBQFYSK-PWSUYJOCSA-N 1 0 304.350 1.486 20 5 DDBDRO CCCNC(=O)C1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176202478 408307351 /nfs/dbraw/zinc/30/73/51/408307351.db2.gz YKQAZBSKHMEZLS-UHFFFAOYSA-N 1 0 309.370 1.030 20 5 DDBDRO C[NH+]1CCC(CCNC(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000176329741 408338540 /nfs/dbraw/zinc/33/85/40/408338540.db2.gz MVZKBRAGZDRIRZ-UHFFFAOYSA-N 1 0 306.366 1.639 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000131260328 162010093 /nfs/dbraw/zinc/01/00/93/162010093.db2.gz QUWXKTNIJFDGNH-GFCCVEGCSA-N 1 0 317.349 1.359 20 5 DDBDRO Nc1cc(N)[nH+]c(SCC(=O)c2cccc([N+](=O)[O-])c2)n1 ZINC000133099516 162051374 /nfs/dbraw/zinc/05/13/74/162051374.db2.gz QDTZVAWSVJTIOO-UHFFFAOYSA-N 1 0 305.319 1.524 20 5 DDBDRO C[C@H](CNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-])[NH+](C)C ZINC000137965936 162128880 /nfs/dbraw/zinc/12/88/80/162128880.db2.gz GJGBPWBNBCQMOC-SECBINFHSA-N 1 0 301.368 1.360 20 5 DDBDRO O=C(C[C@H]1CCC[NH2+]1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000169192262 162184097 /nfs/dbraw/zinc/18/40/97/162184097.db2.gz BZABNTIXXFIDGX-NEPJUHHUSA-N 1 0 319.365 1.145 20 5 DDBDRO C[NH+](C)CCn1ccc(NC(=O)Cc2cccc([N+](=O)[O-])c2)n1 ZINC000172914631 162309881 /nfs/dbraw/zinc/30/98/81/162309881.db2.gz XSBHGEDAKJLLTM-UHFFFAOYSA-N 1 0 317.349 1.534 20 5 DDBDRO NC(=O)C[C@H]1CCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269631595 408368353 /nfs/dbraw/zinc/36/83/53/408368353.db2.gz FWXWSESOKRYCRB-BXUZGUMPSA-N 1 0 307.350 1.216 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000247506082 408483029 /nfs/dbraw/zinc/48/30/29/408483029.db2.gz XZVMHIZQSMTWGO-QMTHXVAHSA-N 1 0 306.366 1.757 20 5 DDBDRO C[N@H+](CCCO)C1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000270350591 408498019 /nfs/dbraw/zinc/49/80/19/408498019.db2.gz GEGUWNOIANWIHM-UHFFFAOYSA-N 1 0 321.377 1.514 20 5 DDBDRO Cn1ccnc1[C@H]1OCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000275555549 408598508 /nfs/dbraw/zinc/59/85/08/408598508.db2.gz NOPCJOVYQIPIIY-KBPBESRZSA-N 1 0 302.334 1.948 20 5 DDBDRO CC(C)[C@@H](CCO)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000161700644 408629166 /nfs/dbraw/zinc/62/91/66/408629166.db2.gz SKLCGQDDAZGQMS-DZGCQCFKSA-N 1 0 312.366 1.331 20 5 DDBDRO COc1cccc(C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000192690380 408631865 /nfs/dbraw/zinc/63/18/65/408631865.db2.gz CVCKGRKQBODRJU-WDEREUQCSA-N 1 0 319.361 1.958 20 5 DDBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1C[C@@H](C)[C@@H]([NH+](C)C)C1 ZINC000270690560 408639430 /nfs/dbraw/zinc/63/94/30/408639430.db2.gz XJOKRZZZHSESIB-JMSVASOKSA-N 1 0 320.393 1.804 20 5 DDBDRO C[C@@H]1C[C@@H](O)C[C@H](C)[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000249078353 408684661 /nfs/dbraw/zinc/68/46/61/408684661.db2.gz SEQAWAMGMUYOIR-NEBZKDRISA-N 1 0 324.377 1.568 20 5 DDBDRO C[C@H](CNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)[NH+](C)C ZINC000276020180 408751190 /nfs/dbraw/zinc/75/11/90/408751190.db2.gz BHFCOWVRMLPMNR-SECBINFHSA-N 1 0 301.368 1.360 20 5 DDBDRO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000178106809 408775186 /nfs/dbraw/zinc/77/51/86/408775186.db2.gz SKEFTMPORJEMPY-ZDUSSCGKSA-N 1 0 319.361 1.389 20 5 DDBDRO Cc1cc(C(=O)N2CCO[C@@H]3CC[N@@H+](C)C[C@@H]32)cc([N+](=O)[O-])c1 ZINC000285872577 408880562 /nfs/dbraw/zinc/88/05/62/408880562.db2.gz RLCNJFFXPORUHD-LSDHHAIUSA-N 1 0 319.361 1.448 20 5 DDBDRO CCN(CCC[NH+](CC)CC)C(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000276305366 408833165 /nfs/dbraw/zinc/83/31/65/408833165.db2.gz AXMORYRAZLUXLT-UHFFFAOYSA-N 1 0 311.386 1.820 20 5 DDBDRO CCCN(CCC[NH+](C)C)C(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000276447638 408860512 /nfs/dbraw/zinc/86/05/12/408860512.db2.gz VYLOEGVHFRJJBR-UHFFFAOYSA-N 1 0 311.386 1.290 20 5 DDBDRO Cc1cc(C(=O)N2CCO[C@@H]3CC[N@@H+](C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000285780985 408863567 /nfs/dbraw/zinc/86/35/67/408863567.db2.gz NAVAKFBQSMKVFV-LSDHHAIUSA-N 1 0 319.361 1.448 20 5 DDBDRO O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CC[NH+]2CCC1CC2 ZINC000188859148 163074186 /nfs/dbraw/zinc/07/41/86/163074186.db2.gz CFRZACRTWDKNOA-SNAWJCMRSA-N 1 0 301.346 1.915 20 5 DDBDRO CC[NH+]1CCC(Nc2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])CC1 ZINC000286055724 408915902 /nfs/dbraw/zinc/91/59/02/408915902.db2.gz ICEMBFFLISIZTR-UHFFFAOYSA-N 1 0 322.365 1.981 20 5 DDBDRO C[N@@H+]1CC[C@]2(CCN(C(=O)NCc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000291991085 408957801 /nfs/dbraw/zinc/95/78/01/408957801.db2.gz QNWIQZFCGPSMDA-INIZCTEOSA-N 1 0 318.377 1.832 20 5 DDBDRO CC[N@@H+]1CCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)[C@H](C)C1 ZINC000286423380 408982985 /nfs/dbraw/zinc/98/29/85/408982985.db2.gz REVGZMJSUVXMAB-SNVBAGLBSA-N 1 0 317.349 1.774 20 5 DDBDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000279344643 409196492 /nfs/dbraw/zinc/19/64/92/409196492.db2.gz DWEYSZJJYMXQSB-SECBINFHSA-N 1 0 310.329 1.482 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000279269430 409181890 /nfs/dbraw/zinc/18/18/90/409181890.db2.gz YSHSCTWKLFZZPT-PHIMTYICSA-N 1 0 305.334 1.237 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H]2CCC[C@H]2CCO)c1 ZINC000279272332 409182548 /nfs/dbraw/zinc/18/25/48/409182548.db2.gz NNGDVCIWFHJFAU-JGGQBBKZSA-N 1 0 324.377 1.475 20 5 DDBDRO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000279281727 409184517 /nfs/dbraw/zinc/18/45/17/409184517.db2.gz WWTQROIHFVCQPC-STQMWFEESA-N 1 0 322.340 1.673 20 5 DDBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)C12CCC[NH+]1CCC2 ZINC000279284546 409184991 /nfs/dbraw/zinc/18/49/91/409184991.db2.gz XEYPEDUCQADULG-UHFFFAOYSA-N 1 0 303.362 1.882 20 5 DDBDRO C[NH2+][C@H]1CCCN(Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000262026999 163752121 /nfs/dbraw/zinc/75/21/21/163752121.db2.gz NRGLZNFZFNFXBN-LBPRGKRZSA-N 1 0 309.366 1.796 20 5 DDBDRO CS[C@@H]1CN(c2ncc([N+](=O)[O-])c(C)n2)C[C@@H]1[NH+]1CCCC1 ZINC000295117242 409328544 /nfs/dbraw/zinc/32/85/44/409328544.db2.gz WGFDHTBDAIMQEO-QWHCGFSZSA-N 1 0 323.422 1.709 20 5 DDBDRO CN(CC(=O)NCCC[C@@H]1CCC[NH2+]1)c1ccccc1[N+](=O)[O-] ZINC000294767407 409302090 /nfs/dbraw/zinc/30/20/90/409302090.db2.gz FQARDFBWNSVQDC-ZDUSSCGKSA-N 1 0 320.393 1.679 20 5 DDBDRO CN1CCO[C@@H]2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000284336124 409323686 /nfs/dbraw/zinc/32/36/86/409323686.db2.gz CFYJFQJKSASJBO-HUUCEWRRSA-N 1 0 319.361 1.069 20 5 DDBDRO CC1(C)OCC[C@H]1[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000295200477 409371966 /nfs/dbraw/zinc/37/19/66/409371966.db2.gz KSPNNWNGOCAHRM-CQSZACIVSA-N 1 0 319.361 1.641 20 5 DDBDRO CC[N@H+](CCNC(=O)COc1ccc([N+](=O)[O-])c(C)c1)C1CC1 ZINC000280694065 409414698 /nfs/dbraw/zinc/41/46/98/409414698.db2.gz ZTXRDENAIZNTRM-UHFFFAOYSA-N 1 0 321.377 1.883 20 5 DDBDRO O=[N+]([O-])c1ccc(CN2CC[C@@H](N3CCOCC3)C2)cc1F ZINC000316493828 164022699 /nfs/dbraw/zinc/02/26/99/164022699.db2.gz XZRSZOVCYPUAJQ-CYBMUJFWSA-N 1 0 309.341 1.640 20 5 DDBDRO Cc1nn(C)c(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000408130119 164236927 /nfs/dbraw/zinc/23/69/27/164236927.db2.gz SVISMLNEOMLWSX-GXSJLCMTSA-N 1 0 309.370 1.191 20 5 DDBDRO COc1c(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000331513247 409587631 /nfs/dbraw/zinc/58/76/31/409587631.db2.gz MZHHIBLWVQVJGP-SNVBAGLBSA-N 1 0 305.334 1.570 20 5 DDBDRO CCN(CC[NH+]1CCCCCC1)C(=O)c1c([N+](=O)[O-])cnn1C ZINC000331562519 409642681 /nfs/dbraw/zinc/64/26/81/409642681.db2.gz TZJPZMDYAMRSJL-UHFFFAOYSA-N 1 0 323.397 1.666 20 5 DDBDRO Cn1nccc1C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000331583364 409663535 /nfs/dbraw/zinc/66/35/35/409663535.db2.gz JXSPGIIVHCIEDI-CHWSQXEVSA-N 1 0 304.354 1.798 20 5 DDBDRO Cn1nc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000357056642 409822479 /nfs/dbraw/zinc/82/24/79/409822479.db2.gz XMWDZNTYLNPCIV-LBPRGKRZSA-N 1 0 321.381 1.419 20 5 DDBDRO C[C@@H]1CCC[C@H](CC[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000316187115 409855068 /nfs/dbraw/zinc/85/50/68/409855068.db2.gz KVOMKHOMYWJJSH-UMVBOHGHSA-N 1 0 310.398 1.958 20 5 DDBDRO C[C@]1(CNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CCC[NH2+]C1 ZINC000342711787 409833922 /nfs/dbraw/zinc/83/39/22/409833922.db2.gz AEQFFPACZKOHBT-HNNXBMFYSA-N 1 0 317.349 1.591 20 5 DDBDRO Cc1c(NC(=O)[C@H](C)N2CCC[C@@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000346104233 409786951 /nfs/dbraw/zinc/78/69/51/409786951.db2.gz WFQAIZNYNRBTSV-NWDGAFQWSA-N 1 0 306.366 1.653 20 5 DDBDRO C[C@@H]1CN(C)CCN1C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000331920961 409799898 /nfs/dbraw/zinc/79/98/98/409799898.db2.gz CAXRIHRYTULLJW-SNVBAGLBSA-N 1 0 302.334 1.852 20 5 DDBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)CCn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000354391099 409817237 /nfs/dbraw/zinc/81/72/37/409817237.db2.gz JUGUTTHEQTXFQQ-CHWSQXEVSA-N 1 0 323.397 1.513 20 5 DDBDRO CCCN(CC[NH+]1CCCCC1)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000342777390 409896984 /nfs/dbraw/zinc/89/69/84/409896984.db2.gz HZKSUTQUMUVBEI-UHFFFAOYSA-N 1 0 323.397 1.516 20 5 DDBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000332228477 409993975 /nfs/dbraw/zinc/99/39/75/409993975.db2.gz LIEXJGVTLDXTAY-GHMZBOCLSA-N 1 0 303.366 1.996 20 5 DDBDRO CCOc1cc(N2CCN(CC(C)(C)[NH3+])CC2)ccc1[N+](=O)[O-] ZINC000339428701 410180627 /nfs/dbraw/zinc/18/06/27/410180627.db2.gz URKXTAHJDQWGOI-UHFFFAOYSA-N 1 0 322.409 1.853 20 5 DDBDRO C[C@@H](CNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])[NH+](C)C ZINC000298489812 410253229 /nfs/dbraw/zinc/25/32/29/410253229.db2.gz XOICACVGKJRPHR-JTQLQIEISA-N 1 0 306.366 1.849 20 5 DDBDRO CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@@H](C)CO ZINC000339635286 410351270 /nfs/dbraw/zinc/35/12/70/410351270.db2.gz UXNWLWCJTLNPDS-LBPRGKRZSA-N 1 0 309.366 1.935 20 5 DDBDRO Cc1c(NC(=O)[C@H](C)N2CC[C@H]([C@@H](C)[NH3+])C2)cccc1[N+](=O)[O-] ZINC000351858426 410296311 /nfs/dbraw/zinc/29/63/11/410296311.db2.gz DCEQAXYPQPQYLO-AGIUHOORSA-N 1 0 320.393 1.899 20 5 DDBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H](C)C(=O)N(C)C ZINC000357851013 410296844 /nfs/dbraw/zinc/29/68/44/410296844.db2.gz MXMUNAPCPSCMLY-GHMZBOCLSA-N 1 0 322.365 1.378 20 5 DDBDRO CN(C(=O)Cc1ccccc1[N+](=O)[O-])[C@H]1CC[N@@H+](C2CC2)C1 ZINC000347004999 410307265 /nfs/dbraw/zinc/30/72/65/410307265.db2.gz KVUFLNXKPUOMMR-AWEZNQCLSA-N 1 0 303.362 1.832 20 5 DDBDRO COCC[N@@H+]1CCCN(C(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000299067652 410507261 /nfs/dbraw/zinc/50/72/61/410507261.db2.gz WCQFCKJJUJBDDS-UHFFFAOYSA-N 1 0 313.379 1.451 20 5 DDBDRO Cc1sc(S(=O)(=O)NCC[N@@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000343491732 410491643 /nfs/dbraw/zinc/49/16/43/410491643.db2.gz BONDOHXBNSOJIC-UHFFFAOYSA-N 1 0 319.408 1.337 20 5 DDBDRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000347394886 410518565 /nfs/dbraw/zinc/51/85/65/410518565.db2.gz XZERFUITGKMYLG-GFCCVEGCSA-N 1 0 306.366 1.727 20 5 DDBDRO COC[C@@H]1CC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000352233281 410565899 /nfs/dbraw/zinc/56/58/99/410565899.db2.gz BOHGUXSLWWWKEN-IUODEOHRSA-N 1 0 319.361 1.668 20 5 DDBDRO CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000343580045 410547667 /nfs/dbraw/zinc/54/76/67/410547667.db2.gz VPAPTCDIMFBNSN-SNVBAGLBSA-N 1 0 307.354 1.176 20 5 DDBDRO CC[NH+]1CCN([C@H](C)CNc2nccc(C)c2[N+](=O)[O-])CC1 ZINC000301271965 410691120 /nfs/dbraw/zinc/69/11/20/410691120.db2.gz HUJHCTKWSBVCKH-CYBMUJFWSA-N 1 0 307.398 1.736 20 5 DDBDRO CC[NH+]1CCC(CCNC(=O)c2ccc([N+](=O)[O-])n2C)CC1 ZINC000359495815 410692801 /nfs/dbraw/zinc/69/28/01/410692801.db2.gz QQPVGEYWICOCMB-UHFFFAOYSA-N 1 0 308.382 1.785 20 5 DDBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000330597688 410809986 /nfs/dbraw/zinc/80/99/86/410809986.db2.gz SJQMLWYEKVHNTN-NWDGAFQWSA-N 1 0 307.350 1.525 20 5 DDBDRO O=C(NCC[NH+]1CCC1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000337620338 410903515 /nfs/dbraw/zinc/90/35/15/410903515.db2.gz NYPYETKSDZWQKV-UHFFFAOYSA-N 1 0 316.317 1.284 20 5 DDBDRO CN([C@@H](C[NH3+])C1CC1)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000359982272 410984346 /nfs/dbraw/zinc/98/43/46/410984346.db2.gz CIZCWXBUQGEZOQ-ZDUSSCGKSA-N 1 0 313.379 1.094 20 5 DDBDRO NC(=O)c1cccc(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000341722586 411051989 /nfs/dbraw/zinc/05/19/89/411051989.db2.gz OLOKNUXTFQUVRJ-QWRGUYRKSA-N 1 0 304.350 1.732 20 5 DDBDRO C[C@H]1C[C@H](C(=O)NCCNc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000353580637 411071783 /nfs/dbraw/zinc/07/17/83/411071783.db2.gz IQFZFLPGDNRFQS-QWHCGFSZSA-N 1 0 320.393 1.853 20 5 DDBDRO Cc1cc(OCC(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000331201530 411014532 /nfs/dbraw/zinc/01/45/32/411014532.db2.gz QJKPRYYDDORZGF-OLZOCXBDSA-N 1 0 321.377 1.881 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000331216888 411021631 /nfs/dbraw/zinc/02/16/31/411021631.db2.gz PVNYOXLRRUJJDD-ZJUUUORDSA-N 1 0 309.370 1.654 20 5 DDBDRO C[C@@H](CN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000353511969 411040860 /nfs/dbraw/zinc/04/08/60/411040860.db2.gz BXQMNSFPYRNQRZ-WFASDCNBSA-N 1 0 317.393 1.957 20 5 DDBDRO C[C@@H](CCC[NH3+])NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000580072509 422883797 /nfs/dbraw/zinc/88/37/97/422883797.db2.gz LFWKQYXEHWMTHO-VIFPVBQESA-N 1 0 309.322 1.223 20 5 DDBDRO [NH3+]CCC[C@H](NC(=O)c1[nH]ncc1[N+](=O)[O-])c1ccccc1 ZINC000580714293 422949741 /nfs/dbraw/zinc/94/97/41/422949741.db2.gz PYQQUOBZHNMXBX-NSHDSACASA-N 1 0 303.322 1.528 20 5 DDBDRO NC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000131696665 196191662 /nfs/dbraw/zinc/19/16/62/196191662.db2.gz FIWIRUXVERTCRP-NSHDSACASA-N 1 0 319.365 1.011 20 5 DDBDRO C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])[C@H](CO)C(C)(C)C ZINC000134378102 196384056 /nfs/dbraw/zinc/38/40/56/196384056.db2.gz CXHAGFPUOXZULD-CYBMUJFWSA-N 1 0 309.366 1.872 20 5 DDBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC2(CC[NH2+]2)CC1 ZINC000422636400 227083595 /nfs/dbraw/zinc/08/35/95/227083595.db2.gz NCHCBIRPPLGYEX-LBPRGKRZSA-N 1 0 318.377 1.750 20 5 DDBDRO C[NH+](C)C1(CNc2ccncc2[N+](=O)[O-])Cc2ccccc2C1 ZINC000360987218 418561065 /nfs/dbraw/zinc/56/10/65/418561065.db2.gz YHHOCOSKOYSTPN-UHFFFAOYSA-N 1 0 312.373 1.923 20 5 DDBDRO C[C@H](C1CC[NH+](C)CC1)N(C)c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000291024756 222079286 /nfs/dbraw/zinc/07/92/86/222079286.db2.gz YBZMEVGKVPISBT-SNVBAGLBSA-N 1 0 321.381 1.255 20 5 DDBDRO C[NH+](C)CC1CCC(NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000193746303 222161775 /nfs/dbraw/zinc/16/17/75/222161775.db2.gz QGVQECVEXICUTA-UHFFFAOYSA-N 1 0 322.365 1.546 20 5 DDBDRO COc1ccc(OCC[N@@H+]2CC[C@H](O)C2(C)C)c([N+](=O)[O-])c1 ZINC000361420922 418649410 /nfs/dbraw/zinc/64/94/10/418649410.db2.gz QECWKSOVMSGMPZ-AWEZNQCLSA-N 1 0 310.350 1.827 20 5 DDBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000368201317 418702885 /nfs/dbraw/zinc/70/28/85/418702885.db2.gz LQJXLMVGKDRQEL-SWLSCSKDSA-N 1 0 318.377 1.607 20 5 DDBDRO COCC[N@H+](C)C[C@H](O)COc1ccc(Cl)cc1[N+](=O)[O-] ZINC000386741908 418741292 /nfs/dbraw/zinc/74/12/92/418741292.db2.gz XUPHWKGYNWYNRS-NSHDSACASA-N 1 0 318.757 1.566 20 5 DDBDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000408073942 418786202 /nfs/dbraw/zinc/78/62/02/418786202.db2.gz VDSKGHUOPYGWPJ-RYUDHWBXSA-N 1 0 321.377 1.986 20 5 DDBDRO C[C@H]1CCN(C(=O)COc2ccccc2[N+](=O)[O-])[C@@H](C)[C@H]1[NH3+] ZINC000297475462 227217363 /nfs/dbraw/zinc/21/73/63/227217363.db2.gz YYMGLZFFCPXBOW-PGUXBMHVSA-N 1 0 307.350 1.558 20 5 DDBDRO CC(C)C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC(N)=O ZINC000411165451 418875474 /nfs/dbraw/zinc/87/54/74/418875474.db2.gz OTRSRKJFZSAWIW-UHFFFAOYSA-N 1 0 322.365 1.367 20 5 DDBDRO C[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC000411201890 418879444 /nfs/dbraw/zinc/87/94/44/418879444.db2.gz MOVPPALESJMRHL-LSDHHAIUSA-N 1 0 303.362 1.909 20 5 DDBDRO CNC(=O)[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000411474398 418908126 /nfs/dbraw/zinc/90/81/26/418908126.db2.gz XRHUSBOCOOFKIG-AWEZNQCLSA-N 1 0 322.365 1.284 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2[NH2+]CCCC2(C)C)n1 ZINC000423600260 227565256 /nfs/dbraw/zinc/56/52/56/227565256.db2.gz CDZUGNFUYAISIW-LLVKDONJSA-N 1 0 309.370 1.319 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[N@@H+](C)CC1 ZINC000298120523 228365144 /nfs/dbraw/zinc/36/51/44/228365144.db2.gz TVAKQVSSTKMIEW-UHFFFAOYSA-N 1 0 320.393 1.869 20 5 DDBDRO [NH3+]C[C@H](NC(=O)NCCc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000417932321 419396880 /nfs/dbraw/zinc/39/68/80/419396880.db2.gz CSVYKBFKVWRWJP-HNNXBMFYSA-N 1 0 320.393 1.954 20 5 DDBDRO C[C@@H]1C[C@H](CO)C[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000420952397 419381758 /nfs/dbraw/zinc/38/17/58/419381758.db2.gz XWDXCUIEEUJJLA-NEPJUHHUSA-N 1 0 322.361 1.912 20 5 DDBDRO CON1CCC([NH2+][C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000421205830 419522608 /nfs/dbraw/zinc/52/26/08/419522608.db2.gz HNGXLCYFCBPQHC-LLVKDONJSA-N 1 0 322.365 1.537 20 5 DDBDRO CC(C)(NC(=O)NC[C@@H]1CCC[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC000418358415 419739843 /nfs/dbraw/zinc/73/98/43/419739843.db2.gz DNHJXVLNTQMGFH-LBPRGKRZSA-N 1 0 306.366 1.881 20 5 DDBDRO C[NH+](C)[C@H]1CN(c2nccc3ccc([N+](=O)[O-])cc32)C[C@@H]1O ZINC000413311344 419778211 /nfs/dbraw/zinc/77/82/11/419778211.db2.gz OOPGJTDHZVWEQJ-KBPBESRZSA-N 1 0 302.334 1.254 20 5 DDBDRO C[C@H](C[NH3+])CNC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000418461925 419816861 /nfs/dbraw/zinc/81/68/61/419816861.db2.gz AVOVCEOXWDLDFF-GFCCVEGCSA-N 1 0 321.381 1.021 20 5 DDBDRO C[C@H](C[NH3+])NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000414956230 419893075 /nfs/dbraw/zinc/89/30/75/419893075.db2.gz VAWKLLCICBMOGJ-ZCFIWIBFSA-N 1 0 304.253 1.665 20 5 DDBDRO Cc1ccc(S(=O)(=O)NC(C)(C)CCC[NH3+])c([N+](=O)[O-])c1 ZINC000431039277 229001079 /nfs/dbraw/zinc/00/10/79/229001079.db2.gz WPUBKWRKHMEOSS-UHFFFAOYSA-N 1 0 315.395 1.699 20 5 DDBDRO Cc1cc(OCC(=O)NCC[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000431359322 229025013 /nfs/dbraw/zinc/02/50/13/229025013.db2.gz QQQIJWUEGKELIJ-UHFFFAOYSA-N 1 0 307.350 1.494 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000299526123 229182920 /nfs/dbraw/zinc/18/29/20/229182920.db2.gz QBHGFIWUMIFXED-GFCCVEGCSA-N 1 0 323.397 1.338 20 5 DDBDRO CNC(=O)[C@H]1CCC[C@H]1[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000429770349 420045773 /nfs/dbraw/zinc/04/57/73/420045773.db2.gz FJKNWLRGAXBMCO-WDEREUQCSA-N 1 0 320.349 1.038 20 5 DDBDRO COC(=O)c1cc(NC(=O)N2CC[C@H]([NH3+])C2)c(C)c([N+](=O)[O-])c1 ZINC000415600418 420122270 /nfs/dbraw/zinc/12/22/70/420122270.db2.gz ODJMSBDFFIFMDH-JTQLQIEISA-N 1 0 322.321 1.255 20 5 DDBDRO C[NH2+]CCNC(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1C ZINC000415604267 420122614 /nfs/dbraw/zinc/12/26/14/420122614.db2.gz VLZYSEOPOJNIOL-UHFFFAOYSA-N 1 0 310.310 1.031 20 5 DDBDRO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000415634508 420131610 /nfs/dbraw/zinc/13/16/10/420131610.db2.gz SLIZUOFTZOTMRK-VHSXEESVSA-N 1 0 308.313 1.807 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000415658160 420139362 /nfs/dbraw/zinc/13/93/62/420139362.db2.gz MYOGVJGPCCSZNI-ONGXEEELSA-N 1 0 308.338 1.947 20 5 DDBDRO CCOc1ccc([C@H](C)NC[C@H]2C[NH2+]CCN2C)cc1[N+](=O)[O-] ZINC000423520759 420071662 /nfs/dbraw/zinc/07/16/62/420071662.db2.gz QFVXIMRHQWMMAU-GXTWGEPZSA-N 1 0 322.409 1.548 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](C)C[NH2+]C ZINC000415666093 420141584 /nfs/dbraw/zinc/14/15/84/420141584.db2.gz WITZCMKHPFEALD-SNVBAGLBSA-N 1 0 310.354 1.971 20 5 DDBDRO COC(=O)c1cc(C(=O)NCC[C@H]2CCC[NH2+]2)cc([N+](=O)[O-])c1 ZINC000423583483 420089107 /nfs/dbraw/zinc/08/91/07/420089107.db2.gz JYZJSJDJXRCGSI-GFCCVEGCSA-N 1 0 321.333 1.253 20 5 DDBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000423590020 420090969 /nfs/dbraw/zinc/09/09/69/420090969.db2.gz DBXJYPJYMFYDHP-PHIMTYICSA-N 1 0 321.402 1.998 20 5 DDBDRO CNC(=O)c1ccc(NC[C@@H]2CCC[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000420290146 420185146 /nfs/dbraw/zinc/18/51/46/420185146.db2.gz UKASCYDFQCQQEO-PWSUYJOCSA-N 1 0 306.366 1.884 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)[C@@H](C)C[NH3+] ZINC000430929558 420211415 /nfs/dbraw/zinc/21/14/15/420211415.db2.gz PEHPXTFTACBPTN-JTQLQIEISA-N 1 0 310.354 1.211 20 5 DDBDRO C[C@H]([NH3+])C1CCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000430936690 420214660 /nfs/dbraw/zinc/21/46/60/420214660.db2.gz VVDRNYGXCQOBPM-LBPRGKRZSA-N 1 0 320.393 1.617 20 5 DDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000423724577 420144029 /nfs/dbraw/zinc/14/40/29/420144029.db2.gz RTDJFAMUWBSEQZ-NWDGAFQWSA-N 1 0 318.377 1.639 20 5 DDBDRO CC(C)c1ccc(C(=O)NC[C@@H]2C[NH2+]CCCO2)cc1[N+](=O)[O-] ZINC000423754029 420163016 /nfs/dbraw/zinc/16/30/16/420163016.db2.gz ZBXKVDLDQTZVDO-ZDUSSCGKSA-N 1 0 321.377 1.827 20 5 DDBDRO Cc1cc(N[C@H](C)[C@@H](C)[NH3+])nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000420273464 420177763 /nfs/dbraw/zinc/17/77/63/420177763.db2.gz XMXFSAUERMZGAD-GHMZBOCLSA-N 1 0 301.350 1.930 20 5 DDBDRO CCCc1n[nH]c(C(=O)NC[C@H]2[NH2+]CCCC2(C)C)c1[N+](=O)[O-] ZINC000430694963 420179110 /nfs/dbraw/zinc/17/91/10/420179110.db2.gz FYIYOHSPXRHGLN-LLVKDONJSA-N 1 0 323.397 1.778 20 5 DDBDRO [NH3+][C@@H]1CCC[C@@H](CNc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C1 ZINC000420288382 420182678 /nfs/dbraw/zinc/18/26/78/420182678.db2.gz SEEPQXVYXDPOPP-NXEZZACHSA-N 1 0 317.349 2.173 20 5 DDBDRO C[C@@H]1CN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC[C@H]1[NH3+] ZINC000430954090 420222133 /nfs/dbraw/zinc/22/21/33/420222133.db2.gz IPBNPHHNOCVDET-DFBGVHRSSA-N 1 0 318.377 1.369 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@H](C)[NH2+]C[C@@H]1C ZINC000420399277 420263351 /nfs/dbraw/zinc/26/33/51/420263351.db2.gz NRFZZOOBTVBRAN-RYUDHWBXSA-N 1 0 306.366 1.524 20 5 DDBDRO COc1cc(OCC(=O)N(C)[C@H](C[NH3+])C2CC2)ccc1[N+](=O)[O-] ZINC000423942661 420276053 /nfs/dbraw/zinc/27/60/53/420276053.db2.gz FHZKPUUKHQVZKX-CYBMUJFWSA-N 1 0 323.349 1.178 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC[C@H]([NH3+])C2CC2)c1 ZINC000420428143 420279667 /nfs/dbraw/zinc/27/96/67/420279667.db2.gz SGSOZBOJPBMSJC-NSHDSACASA-N 1 0 313.379 1.227 20 5 DDBDRO C[NH2+]C[C@@H]1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000430948634 420219886 /nfs/dbraw/zinc/21/98/86/420219886.db2.gz KOUBJGZGALZKQQ-NSHDSACASA-N 1 0 317.349 1.686 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCCO[C@H](C[NH3+])C2)c1 ZINC000424015920 420307188 /nfs/dbraw/zinc/30/71/88/420307188.db2.gz CYSAQBWIJNPHEO-GFCCVEGCSA-N 1 0 323.349 1.183 20 5 DDBDRO C[C@H]1C[C@H](Nc2c(C(N)=O)cccc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000420600826 420328233 /nfs/dbraw/zinc/32/82/33/420328233.db2.gz MTBCDJAUEDAGPE-UWVGGRQHSA-N 1 0 304.350 1.731 20 5 DDBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)CC[NH3+] ZINC000424003982 420302163 /nfs/dbraw/zinc/30/21/63/420302163.db2.gz LOHWNNFHNNLSIS-MRVPVSSYSA-N 1 0 301.730 1.433 20 5 DDBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000425505703 420403629 /nfs/dbraw/zinc/40/36/29/420403629.db2.gz YWKLQIDLLTXKEO-CYBMUJFWSA-N 1 0 317.349 1.902 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)n1 ZINC000444830513 230139019 /nfs/dbraw/zinc/13/90/19/230139019.db2.gz WNTPDWJZGCATNH-QWHCGFSZSA-N 1 0 308.382 1.498 20 5 DDBDRO [NH3+]C[C@@H]1CC[C@H](NC(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000417774102 420475324 /nfs/dbraw/zinc/47/53/24/420475324.db2.gz YQKMRWIYJUEFEY-YPMHNXCESA-N 1 0 306.366 1.564 20 5 DDBDRO Cc1c(CC(=O)NCCNc2cc[nH+]cc2)cccc1[N+](=O)[O-] ZINC000440124326 420555642 /nfs/dbraw/zinc/55/56/42/420555642.db2.gz USBATDCSWFESAU-UHFFFAOYSA-N 1 0 314.345 1.491 20 5 DDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@@H](O)C(F)(F)F)n1 ZINC000447529597 420778168 /nfs/dbraw/zinc/77/81/68/420778168.db2.gz MDGYKSZSNPVGNU-OPRDCNLKSA-N 1 0 322.287 1.788 20 5 DDBDRO C[N@H+]1C[C@H]2CN(C(=O)/C=C\c3ccc([N+](=O)[O-])cc3)C[C@H]2C1 ZINC000493608103 420894869 /nfs/dbraw/zinc/89/48/69/420894869.db2.gz CCFOEANGMPNPMV-ISRGKOJGSA-N 1 0 301.346 1.628 20 5 DDBDRO CO[C@@H]1COC[C@@H]1[NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000459825646 420884797 /nfs/dbraw/zinc/88/47/97/420884797.db2.gz KZGHEZBDVRLOHY-GXTWGEPZSA-N 1 0 323.349 1.235 20 5 DDBDRO COc1ccc(C(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000449642978 421043158 /nfs/dbraw/zinc/04/31/58/421043158.db2.gz YKNXWWQMXXOBJC-ZYHUDNBSSA-N 1 0 307.350 1.851 20 5 DDBDRO CNc1nc(C(=O)N2C[C@@H](C)[C@@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000455775772 421061141 /nfs/dbraw/zinc/06/11/41/421061141.db2.gz RSJZIEFQIAWEQC-SKDRFNHKSA-N 1 0 307.354 1.054 20 5 DDBDRO Cc1ccc(C[NH2+]C[C@H]2CCCCN2CCO)cc1[N+](=O)[O-] ZINC000449388860 421004819 /nfs/dbraw/zinc/00/48/19/421004819.db2.gz BLIRAJAIMGUPEY-OAHLLOKOSA-N 1 0 307.394 1.840 20 5 DDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCCN(CCCO)C2)c(F)c1 ZINC000449396970 421007002 /nfs/dbraw/zinc/00/70/02/421007002.db2.gz NWIQMKKMOFQUFB-CYBMUJFWSA-N 1 0 311.357 1.670 20 5 DDBDRO CC(C)[C@@H]1CN(C(=O)Nc2ccncc2[N+](=O)[O-])CC[N@@H+]1C ZINC000487190415 421009211 /nfs/dbraw/zinc/00/92/11/421009211.db2.gz DBMAVNRFPOBVFS-ZDUSSCGKSA-N 1 0 307.354 1.216 20 5 DDBDRO CC[C@@H]1CN(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000487200537 421010843 /nfs/dbraw/zinc/01/08/43/421010843.db2.gz MZXZXNQOUDFUSH-CQSZACIVSA-N 1 0 311.357 1.934 20 5 DDBDRO CCCN(CC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])c(NC)n1 ZINC000455466348 421018875 /nfs/dbraw/zinc/01/88/75/421018875.db2.gz AABVDRRUZKLNQC-UHFFFAOYSA-N 1 0 309.370 1.445 20 5 DDBDRO C[C@H]([NH3+])[C@H](C)NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000449589614 421033804 /nfs/dbraw/zinc/03/38/04/421033804.db2.gz KDBVSNHXIIDXCU-UWVGGRQHSA-N 1 0 303.322 1.246 20 5 DDBDRO CNC(=O)C[C@H](C)[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000449604144 421035986 /nfs/dbraw/zinc/03/59/86/421035986.db2.gz SGNXOCUGKDYOLN-QWRGUYRKSA-N 1 0 322.365 1.426 20 5 DDBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c(NC)n1 ZINC000456052321 421093420 /nfs/dbraw/zinc/09/34/20/421093420.db2.gz PQLIQUMKUCDTIF-NSHDSACASA-N 1 0 323.397 1.882 20 5 DDBDRO CC(C)[C@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000489348695 421148862 /nfs/dbraw/zinc/14/88/62/421148862.db2.gz NBESLTTUICQNNZ-OAHLLOKOSA-N 1 0 305.378 1.936 20 5 DDBDRO Nc1c(F)c(NC[C@H]2CCC[N@@H+]2CCCO)ccc1[N+](=O)[O-] ZINC000450590408 421212959 /nfs/dbraw/zinc/21/29/59/421212959.db2.gz DREQMIUMMJHKAI-SNVBAGLBSA-N 1 0 312.345 1.575 20 5 DDBDRO Cc1nc(N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000450539288 421207777 /nfs/dbraw/zinc/20/77/77/421207777.db2.gz JMAMGXCROZNZDX-NTZNESFSSA-N 1 0 305.382 1.860 20 5 DDBDRO C[C@]1(CO)CCC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000545397465 421257801 /nfs/dbraw/zinc/25/78/01/421257801.db2.gz MQHVCEFARJKFOX-OAHLLOKOSA-N 1 0 318.333 1.992 20 5 DDBDRO C[N@H+](CCNC(=O)c1ccnc(N)c1[N+](=O)[O-])C1CCCC1 ZINC000548413567 421435268 /nfs/dbraw/zinc/43/52/68/421435268.db2.gz BDIYGZZDNFYFMS-UHFFFAOYSA-N 1 0 307.354 1.176 20 5 DDBDRO C[N@@H+]1CCN(C(=O)COc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000549845648 421510446 /nfs/dbraw/zinc/51/04/46/421510446.db2.gz YYCSOENCOPPYEQ-UHFFFAOYSA-N 1 0 307.350 1.526 20 5 DDBDRO O=C(c1ccc2c(c1)C[NH2+]C2)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000563161343 421466117 /nfs/dbraw/zinc/46/61/17/421466117.db2.gz YOVUIDWSJPEKDC-UHFFFAOYSA-N 1 0 324.340 1.792 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H]1C[C@H](O)C1(C)C ZINC000563362062 421491471 /nfs/dbraw/zinc/49/14/71/421491471.db2.gz YTPPDPNFQKPOER-KBPBESRZSA-N 1 0 321.377 1.981 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@H]2CCCS2)c1 ZINC000515467241 421504955 /nfs/dbraw/zinc/50/49/55/421504955.db2.gz UQJQJBHOGQEGTC-TZMCWYRMSA-N 1 0 312.391 1.820 20 5 DDBDRO COC(=O)CC1([NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000516185760 421533212 /nfs/dbraw/zinc/53/32/12/421533212.db2.gz LZLZDRBFSPAKAC-UHFFFAOYSA-N 1 0 307.306 1.219 20 5 DDBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000517568393 421618970 /nfs/dbraw/zinc/61/89/70/421618970.db2.gz CIZLKVYLRLHTNM-GHMZBOCLSA-N 1 0 317.349 1.636 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000520778126 421762105 /nfs/dbraw/zinc/76/21/05/421762105.db2.gz ZFDPPBAMEGXEJA-LBPRGKRZSA-N 1 0 306.366 1.634 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@@H](CO)C1CCCCC1 ZINC000542913587 421832646 /nfs/dbraw/zinc/83/26/46/421832646.db2.gz NYCQHZKIVSSHSJ-AWEZNQCLSA-N 1 0 309.366 1.287 20 5 DDBDRO NC(=O)c1ccc(C[NH2+][C@@H](CO)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000543840199 421842121 /nfs/dbraw/zinc/84/21/21/421842121.db2.gz RBDMOTAPRUPPCZ-AWEZNQCLSA-N 1 0 321.377 1.725 20 5 DDBDRO O=c1onc(-c2ccc([N+](=O)[O-])cc2)n1CC[C@@H]1CC[NH2+]C1 ZINC000573962467 422042765 /nfs/dbraw/zinc/04/27/65/422042765.db2.gz GHZGRJHRDWVJSS-JTQLQIEISA-N 1 0 304.306 1.411 20 5 DDBDRO O=C1C[C@]2(CCN(Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)CN1 ZINC000581585768 422004526 /nfs/dbraw/zinc/00/45/26/422004526.db2.gz QAJVBMHMHZODCY-OAHLLOKOSA-N 1 0 315.333 1.183 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H]1CCC[C@H](CO)C1 ZINC000583500131 422174337 /nfs/dbraw/zinc/17/43/37/422174337.db2.gz NMNMCGNOQPODDP-MELADBBJSA-N 1 0 324.377 1.475 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@@H]1CCCOCC1 ZINC000583559669 422184194 /nfs/dbraw/zinc/18/41/94/422184194.db2.gz GIFRTMUZOOVTPN-OLZOCXBDSA-N 1 0 310.350 1.493 20 5 DDBDRO O=[N+]([O-])c1cnc2ccc(N[C@H]3CCC[N@@H+]4CCCC[C@H]34)nn21 ZINC000594602475 422352036 /nfs/dbraw/zinc/35/20/36/422352036.db2.gz QSPYHSOGWXNCFB-NWDGAFQWSA-N 1 0 316.365 2.066 20 5 DDBDRO C[C@@H]1C[C@H]([NH3+])CCN1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000578903697 422672577 /nfs/dbraw/zinc/67/25/77/422672577.db2.gz SRWYXPNYDZOJJZ-DGCLKSJQSA-N 1 0 318.377 1.296 20 5 DDBDRO C[C@H](Cn1cccn1)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000342361265 271390061 /nfs/dbraw/zinc/39/00/61/271390061.db2.gz SLDXVQHPEXUSQZ-CHWSQXEVSA-N 1 0 320.349 1.209 20 5 DDBDRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344242528 271979196 /nfs/dbraw/zinc/97/91/96/271979196.db2.gz OCTCKNVGZITEIC-SNVBAGLBSA-N 1 0 307.325 1.948 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CCC[N@@H+]([C@H](C)CO)CC2)n1 ZINC000345044330 272162382 /nfs/dbraw/zinc/16/23/82/272162382.db2.gz OIGMNGLTSBWUDT-CYBMUJFWSA-N 1 0 308.382 1.500 20 5 DDBDRO Cc1c(NC(=O)[C@H](C)N2CCC[C@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000346104234 272414877 /nfs/dbraw/zinc/41/48/77/272414877.db2.gz WFQAIZNYNRBTSV-RYUDHWBXSA-N 1 0 306.366 1.653 20 5 DDBDRO NC(=O)c1cccc([N+](=O)[O-])c1N1CC[NH+](CC2CC2)CC1 ZINC000420579566 274941343 /nfs/dbraw/zinc/94/13/43/274941343.db2.gz BCWGQSDEQPZBHK-UHFFFAOYSA-N 1 0 304.350 1.226 20 5 DDBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CCC[N@@H+](CCO)CC1 ZINC000129808133 275033567 /nfs/dbraw/zinc/03/35/67/275033567.db2.gz CODUXKRUDRXHIU-UHFFFAOYSA-N 1 0 300.746 1.148 20 5 DDBDRO CC(C)(C(=O)N[C@@H](C[NH3+])C1CCCC1)n1cc([N+](=O)[O-])cn1 ZINC000423967997 275508490 /nfs/dbraw/zinc/50/84/90/275508490.db2.gz UENQUQWXRWVSIW-LBPRGKRZSA-N 1 0 309.370 1.160 20 5 DDBDRO CC(C)[C@H]([NH3+])CNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000285750150 275703782 /nfs/dbraw/zinc/70/37/82/275703782.db2.gz PXPKRECMNBUNQY-LLVKDONJSA-N 1 0 317.349 1.494 20 5 DDBDRO CC(C)c1ccc(C[NH2+][C@H]2CCC(=O)N(C)C2=O)cc1[N+](=O)[O-] ZINC000424202696 276053466 /nfs/dbraw/zinc/05/34/66/276053466.db2.gz JMKMCKYMLGQHHY-ZDUSSCGKSA-N 1 0 319.361 1.955 20 5 DDBDRO CNc1c(C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)cccc1[N+](=O)[O-] ZINC000317213092 277301386 /nfs/dbraw/zinc/30/13/86/277301386.db2.gz AXIQEYMEIDAKBQ-NSHDSACASA-N 1 0 306.366 1.803 20 5 DDBDRO C[C@@H]1CN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC[C@@H]1[NH3+] ZINC000269182176 288021676 /nfs/dbraw/zinc/02/16/76/288021676.db2.gz DRUAWMKEMJAESG-KOLCDFICSA-N 1 0 321.333 1.175 20 5 DDBDRO Cc1n[nH]c(C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)c1[N+](=O)[O-] ZINC000269110144 280187923 /nfs/dbraw/zinc/18/79/23/280187923.db2.gz IESJCWOIFWESRD-WDEREUQCSA-N 1 0 307.354 1.183 20 5 DDBDRO Cc1cc(N[C@@H]2CC[S@@](=O)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000340777950 280300380 /nfs/dbraw/zinc/30/03/80/280300380.db2.gz MKYCEQMBTZXCKQ-LADRHHBVSA-N 1 0 305.359 1.806 20 5 DDBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2(OCCO)CCOCC2)cc1 ZINC000282586162 280364334 /nfs/dbraw/zinc/36/43/34/280364334.db2.gz GJVPEMMUTOJTCK-UHFFFAOYSA-N 1 0 310.350 1.243 20 5 DDBDRO C[C@@H]1CN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000261728028 288238485 /nfs/dbraw/zinc/23/84/85/288238485.db2.gz QUOFNNJFRHRULL-PSASIEDQSA-N 1 0 317.342 1.092 20 5 DDBDRO C[NH2+]CCCNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000121163718 281132750 /nfs/dbraw/zinc/13/27/50/281132750.db2.gz CJGQKDSRQVYQME-UHFFFAOYSA-N 1 0 306.366 1.534 20 5 DDBDRO C[N@H+](CC(=O)NCc1cccc([N+](=O)[O-])c1)[C@H]1CCSC1 ZINC000122739857 281160622 /nfs/dbraw/zinc/16/06/22/281160622.db2.gz IYBYMRQMYUVXHS-ZDUSSCGKSA-N 1 0 309.391 1.648 20 5 DDBDRO C[C@@H]1[C@H]([NH3+])CCCN1C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000297308182 289039608 /nfs/dbraw/zinc/03/96/08/289039608.db2.gz FQKAMKCQXSOTMS-MWLCHTKSSA-N 1 0 321.333 1.318 20 5 DDBDRO C[C@H](C[S@](C)=O)[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000331332776 289742494 /nfs/dbraw/zinc/74/24/94/289742494.db2.gz IMMFSANXEFXFSO-FFGLYLNJSA-N 1 0 314.411 1.632 20 5 DDBDRO Cn1cc([N+](=O)[O-])c(C(=O)N2CCCC23CC[NH+](C)CC3)n1 ZINC000408073820 294309306 /nfs/dbraw/zinc/30/93/06/294309306.db2.gz XLDCFTUCRSTGFE-UHFFFAOYSA-N 1 0 307.354 1.029 20 5 DDBDRO C[NH+](C)CCN(Cc1cccs1)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000354009016 298337938 /nfs/dbraw/zinc/33/79/38/298337938.db2.gz KBRIUALPWCVKJN-UHFFFAOYSA-N 1 0 323.378 1.583 20 5 DDBDRO CC[N@H+](C)CCNC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000354018279 298340849 /nfs/dbraw/zinc/34/08/49/298340849.db2.gz FGBPOYVYQXYVGG-UHFFFAOYSA-N 1 0 309.322 1.063 20 5 DDBDRO Cn1nc([N+](=O)[O-])cc1C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000356490839 298805228 /nfs/dbraw/zinc/80/52/28/298805228.db2.gz QNBNNJLESIBWSR-UHFFFAOYSA-N 1 0 307.354 1.029 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000573954040 304624562 /nfs/dbraw/zinc/62/45/62/304624562.db2.gz QTSQAJIGKUJRLI-UHFFFAOYSA-N 1 0 315.333 1.732 20 5 DDBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000362762441 300133932 /nfs/dbraw/zinc/13/39/32/300133932.db2.gz JARWMHHVLVEUCH-SECBINFHSA-N 1 0 313.304 1.626 20 5 DDBDRO C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000363124897 300215539 /nfs/dbraw/zinc/21/55/39/300215539.db2.gz DHMOEQNNMWIJQT-BMFZPTHFSA-N 1 0 317.389 1.775 20 5 DDBDRO C[C@H]1CN(c2cccc(C(N)=O)c2[N+](=O)[O-])CC[N@@H+](C2CC2)C1 ZINC000450547691 300298517 /nfs/dbraw/zinc/29/85/17/300298517.db2.gz OPGRZYWRURVHQF-LLVKDONJSA-N 1 0 318.377 1.614 20 5 DDBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000363904170 300323745 /nfs/dbraw/zinc/32/37/45/300323745.db2.gz LBUQBWLFSCICAU-GXFFZTMASA-N 1 0 319.365 1.128 20 5 DDBDRO O=C1O[C@H](C[N@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)CC12CC2 ZINC000369007172 301118157 /nfs/dbraw/zinc/11/81/57/301118157.db2.gz GRHCOKNDLRSWQB-YPMHNXCESA-N 1 0 320.349 1.524 20 5 DDBDRO CCc1n[nH]c(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000369143536 301136766 /nfs/dbraw/zinc/13/67/66/301136766.db2.gz KWOZVDDEPSBEQC-VHSXEESVSA-N 1 0 307.354 1.237 20 5 DDBDRO C[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000370469401 301345658 /nfs/dbraw/zinc/34/56/58/301345658.db2.gz CUEOTLHVBXFTEC-FAAHXZRKSA-N 1 0 303.362 1.431 20 5 DDBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000376408523 302074857 /nfs/dbraw/zinc/07/48/57/302074857.db2.gz OOKQAIKSTXJTIW-MFKMUULPSA-N 1 0 319.365 1.271 20 5 DDBDRO C[NH+](C)[C@@H]1CCc2ccccc2[C@@H]1NC(=O)[C@H]1C[C@H]1[N+](=O)[O-] ZINC000377688095 302212453 /nfs/dbraw/zinc/21/24/53/302212453.db2.gz IHMBXLLDENHMKW-YJNKXOJESA-N 1 0 303.362 1.386 20 5 DDBDRO C[NH+](C)CC(C)(C)NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000416509647 302378431 /nfs/dbraw/zinc/37/84/31/302378431.db2.gz RUZAHKQKNOKRMB-UHFFFAOYSA-N 1 0 315.395 1.354 20 5 DDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000420442614 302384582 /nfs/dbraw/zinc/38/45/82/302384582.db2.gz PVVSEALDIYWBHB-BDAKNGLRSA-N 1 0 301.368 1.171 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000119137727 303053009 /nfs/dbraw/zinc/05/30/09/303053009.db2.gz WQLLFYOWECAABU-LBPRGKRZSA-N 1 0 321.381 1.419 20 5 DDBDRO CCC[C@@H]1C[NH2+]CCN1CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000359048879 306950242 /nfs/dbraw/zinc/95/02/42/306950242.db2.gz WIKPJKRCNLKPHT-CYBMUJFWSA-N 1 0 320.393 1.916 20 5 DDBDRO CCC[NH+]1CCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000361619420 307001198 /nfs/dbraw/zinc/00/11/98/307001198.db2.gz GBTSUOLGPDXUFN-UHFFFAOYSA-N 1 0 320.393 1.585 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@H](C)[C@H](CO)C1 ZINC000362080614 307013171 /nfs/dbraw/zinc/01/31/71/307013171.db2.gz YGRBIKKXWWFXOJ-STQMWFEESA-N 1 0 321.377 1.792 20 5 DDBDRO O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)[C@H]1C[C@@H]1[N+](=O)[O-] ZINC000372658335 307172743 /nfs/dbraw/zinc/17/27/43/307172743.db2.gz YAFABQJYWLYJIZ-KKUMJFAQSA-N 1 0 303.362 1.432 20 5 DDBDRO O=[N+]([O-])c1cc(F)ccc1N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000375778863 307230782 /nfs/dbraw/zinc/23/07/82/307230782.db2.gz UBJOGKGEBOELMI-DZGCQCFKSA-N 1 0 309.341 1.769 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000376486047 307245749 /nfs/dbraw/zinc/24/57/49/307245749.db2.gz QEEWVORJPJLVTI-FUNVUKJBSA-N 1 0 318.377 1.995 20 5 DDBDRO O=C(/C=C\c1cccc([N+](=O)[O-])c1)N1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC000404007302 307297642 /nfs/dbraw/zinc/29/76/42/307297642.db2.gz OMFBZUTUEROVKZ-NWRQEBOHSA-N 1 0 317.345 1.197 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000424018580 307301237 /nfs/dbraw/zinc/30/12/37/307301237.db2.gz ITKYODNKDSNIIP-CYBMUJFWSA-N 1 0 321.377 1.710 20 5 DDBDRO C[C@]1(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCOC1 ZINC000517732489 307435942 /nfs/dbraw/zinc/43/59/42/307435942.db2.gz JMOQZTCGCZTDOA-IUODEOHRSA-N 1 0 310.350 1.351 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000563336891 307964328 /nfs/dbraw/zinc/96/43/28/307964328.db2.gz UIVFORLJXOPVSZ-UHFFFAOYSA-N 1 0 304.350 1.642 20 5 DDBDRO [NH3+]CCC1CCN(C(=O)NCCc2ccccc2[N+](=O)[O-])CC1 ZINC000563967386 307988560 /nfs/dbraw/zinc/98/85/60/307988560.db2.gz VKRIDWATAHYFQV-UHFFFAOYSA-N 1 0 320.393 1.908 20 5 DDBDRO COc1cc(C(=O)NCCC[NH2+]C2CC2)cc([N+](=O)[O-])c1C ZINC000564999945 308016105 /nfs/dbraw/zinc/01/61/05/308016105.db2.gz GMFIOYGWKKEWTF-UHFFFAOYSA-N 1 0 307.350 1.784 20 5 DDBDRO CC(F)(F)CC[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000566122720 308044423 /nfs/dbraw/zinc/04/44/23/308044423.db2.gz URASTLPBUZPNSS-SNVBAGLBSA-N 1 0 304.293 1.969 20 5 DDBDRO C[C@H](C[C@@H]1CCCO1)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000567681722 308089338 /nfs/dbraw/zinc/08/93/38/308089338.db2.gz ZZYDPYVAQNJFLX-YUELXQCFSA-N 1 0 324.377 1.882 20 5 DDBDRO C[C@@H]1CN(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)[C@H](C)C[NH2+]1 ZINC000577354988 308381044 /nfs/dbraw/zinc/38/10/44/308381044.db2.gz XFGBMCRAKXVYLJ-VXGBXAGGSA-N 1 0 322.365 1.365 20 5 DDBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H](CO)C1CCOCC1 ZINC000579730089 308554234 /nfs/dbraw/zinc/55/42/34/308554234.db2.gz BRWCGELCZWOJNP-LSDHHAIUSA-N 1 0 306.362 1.959 20 5 DDBDRO Cc1nn(C)c(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000582940395 337219942 /nfs/dbraw/zinc/21/99/42/337219942.db2.gz XYNFRDJSZJPTMR-LLVKDONJSA-N 1 0 307.398 1.947 20 5 DDBDRO CCn1ccnc1CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000584479631 337348393 /nfs/dbraw/zinc/34/83/93/337348393.db2.gz AZOGNILHTZYWAY-UHFFFAOYSA-N 1 0 306.326 1.059 20 5 DDBDRO Cc1c(CC(=O)N[C@H](CC[NH3+])C(F)(F)F)cccc1[N+](=O)[O-] ZINC000423717544 533837666 /nfs/dbraw/zinc/83/76/66/533837666.db2.gz BANDRODVFNBHOK-LLVKDONJSA-N 1 0 319.283 1.842 20 5 DDBDRO Cc1ccc(C[N@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1C ZINC000452046072 533875783 /nfs/dbraw/zinc/87/57/83/533875783.db2.gz UZMSCMYTDBPDOW-INIZCTEOSA-N 1 0 318.377 1.901 20 5 DDBDRO C[C@H]1COCC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000331926355 534022687 /nfs/dbraw/zinc/02/26/87/534022687.db2.gz CUZOQUDSTBRKHI-OCCSQVGLSA-N 1 0 310.350 1.303 20 5 DDBDRO C[C@@H]([N@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C(C)(C)O ZINC000451357593 534284963 /nfs/dbraw/zinc/28/49/63/534284963.db2.gz DPHARPFYCGAPOD-DGCLKSJQSA-N 1 0 312.366 1.426 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[NH2+][C@H](C)[C@H]1C ZINC000436055361 534339321 /nfs/dbraw/zinc/33/93/21/534339321.db2.gz BDNUFQATLMOHKF-VXGBXAGGSA-N 1 0 306.366 1.524 20 5 DDBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000417235984 534462481 /nfs/dbraw/zinc/46/24/81/534462481.db2.gz SJIHZDLWMWZVRW-INIZCTEOSA-N 1 0 318.377 1.532 20 5 DDBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000417226046 534463065 /nfs/dbraw/zinc/46/30/65/534463065.db2.gz KDJQIXFPILINDN-KGLIPLIRSA-N 1 0 318.377 1.388 20 5 DDBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)NCCC1=CC[NH2+]CC1 ZINC000417945194 534471340 /nfs/dbraw/zinc/47/13/40/534471340.db2.gz QHXWYQOEYLCBFO-UHFFFAOYSA-N 1 0 318.377 1.746 20 5 DDBDRO [NH3+]C1(CNC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCC1 ZINC000418080420 534544789 /nfs/dbraw/zinc/54/47/89/534544789.db2.gz CIQDXGZVQMUZPI-UHFFFAOYSA-N 1 0 318.337 1.152 20 5 DDBDRO CCC[C@H]([NH2+]C[C@@H](O)Cn1ccnn1)c1cccc([N+](=O)[O-])c1 ZINC000414181884 528222580 /nfs/dbraw/zinc/22/25/80/528222580.db2.gz MMSHQBAUZLZFJM-CABCVRRESA-N 1 0 319.365 1.678 20 5 DDBDRO CC(C)C[C@@H](C[NH3+])NC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000417931162 528302206 /nfs/dbraw/zinc/30/22/06/528302206.db2.gz BQHKARKIZQZEED-ZDUSSCGKSA-N 1 0 308.382 1.810 20 5 DDBDRO CCOC(=O)CC1([NH2+]CCn2ccc([N+](=O)[O-])n2)CCCC1 ZINC000434619886 528668221 /nfs/dbraw/zinc/66/82/21/528668221.db2.gz HEVFPFHHJDAFOE-UHFFFAOYSA-N 1 0 310.354 1.647 20 5 DDBDRO CC[NH+]1CCC(N(C)C(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000318497743 528971256 /nfs/dbraw/zinc/97/12/56/528971256.db2.gz IVUMASDJHIILRR-UHFFFAOYSA-N 1 0 307.354 1.128 20 5 DDBDRO C[NH+](C)C[C@](C)(O)CNc1ccnc2c1cccc2[N+](=O)[O-] ZINC000336861692 535973391 /nfs/dbraw/zinc/97/33/91/535973391.db2.gz AAEFYAGKDCPTLY-OAHLLOKOSA-N 1 0 304.350 1.868 20 5 DDBDRO COc1cc(CN2C[C@@H]3CCC[NH2+][C@@H]3C2)c([N+](=O)[O-])cc1OC ZINC000271204870 537700697 /nfs/dbraw/zinc/70/06/97/537700697.db2.gz VVBJWLPDZBFHKK-WCQYABFASA-N 1 0 321.377 1.796 20 5 DDBDRO C[C@@H](CNc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1)[N@H+](C)C1CC1 ZINC000736025458 598522761 /nfs/dbraw/zinc/52/27/61/598522761.db2.gz GXOQJEUSYRABMZ-VIFPVBQESA-N 1 0 317.353 1.670 20 5 DDBDRO CC[NH+](CC)CCSc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC000821197918 606713289 /nfs/dbraw/zinc/71/32/89/606713289.db2.gz OMEUQJFIPPAUJV-UHFFFAOYSA-N 1 0 323.382 1.604 20 5 DDBDRO Cc1cc(OCC(=O)N2CCN(C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000797731692 700021906 /nfs/dbraw/zinc/02/19/06/700021906.db2.gz CPUIWWJQQQSAFE-LBPRGKRZSA-N 1 0 307.350 1.445 20 5 DDBDRO C[C@H]([NH3+])[C@@H]1CN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCO1 ZINC000127797842 696774281 /nfs/dbraw/zinc/77/42/81/696774281.db2.gz MYRBRIMBRNXSTJ-UFBFGSQYSA-N 1 0 313.741 1.436 20 5 DDBDRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000151275448 696882749 /nfs/dbraw/zinc/88/27/49/696882749.db2.gz FIWIVKNPXQQTGJ-CQSZACIVSA-N 1 0 306.366 1.589 20 5 DDBDRO Cc1cc(Cl)c(S(=O)(=O)NCC[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000178913851 697430834 /nfs/dbraw/zinc/43/08/34/697430834.db2.gz OPNNXMOVUHYGMR-QMMMGPOBSA-N 1 0 321.786 1.572 20 5 DDBDRO Cc1cc(C[N@@H+](C)C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)on1 ZINC000985430606 697509993 /nfs/dbraw/zinc/50/99/93/697509993.db2.gz GEHNQODABDWPSI-ZIAGYGMSSA-N 1 0 322.365 1.071 20 5 DDBDRO COCC[C@@]1([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCOC1 ZINC000773947161 697826177 /nfs/dbraw/zinc/82/61/77/697826177.db2.gz DIZPCSYFLFRVKR-HUUCEWRRSA-N 1 0 310.350 1.413 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C2CCC3(CC2)OCCO3)cc1 ZINC000776273972 698090133 /nfs/dbraw/zinc/09/01/33/698090133.db2.gz BTPNCZYZQQXPLA-HNNXBMFYSA-N 1 0 322.361 1.904 20 5 DDBDRO CC(=O)NCC1CC[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776278805 698091280 /nfs/dbraw/zinc/09/12/80/698091280.db2.gz VYJIFRCRSKOKCU-MRXNPFEDSA-N 1 0 321.377 1.476 20 5 DDBDRO CN(C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000776581637 698121168 /nfs/dbraw/zinc/12/11/68/698121168.db2.gz FQAHGJLKHUBMJI-JKSUJKDBSA-N 1 0 305.378 1.797 20 5 DDBDRO O=[N+]([O-])c1ccc(CN2CC[C@@H](N3CC[NH2+]CC3)C2)c(F)c1 ZINC000262438849 698469813 /nfs/dbraw/zinc/46/98/13/698469813.db2.gz GODDMBIPIZXDQC-CQSZACIVSA-N 1 0 308.357 1.213 20 5 DDBDRO COCCO[C@H]1CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000781961838 698666251 /nfs/dbraw/zinc/66/62/51/698666251.db2.gz JQDUYENKQWAOEK-GJZGRUSLSA-N 1 0 310.350 1.366 20 5 DDBDRO C[S@@](=O)CCC[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000735085152 699676826 /nfs/dbraw/zinc/67/68/26/699676826.db2.gz HCYKCFLCVNHPLH-OAQYLSRUSA-N 1 0 314.363 1.224 20 5 DDBDRO CCSCC[NH2+][C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000741775142 699851177 /nfs/dbraw/zinc/85/11/77/699851177.db2.gz FKFBUIUKQLBCHS-CHWSQXEVSA-N 1 0 300.380 1.332 20 5 DDBDRO CS[C@H]1CN(c2nc3ccccn3c2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000759277646 700744719 /nfs/dbraw/zinc/74/47/19/700744719.db2.gz HLVMYFWOYRETPI-QWRGUYRKSA-N 1 0 321.406 1.724 20 5 DDBDRO O=[N+]([O-])c1ccccc1/C=C/CN1CC[NH+](CCCCO)CC1 ZINC000769396490 701243510 /nfs/dbraw/zinc/24/35/10/701243510.db2.gz LNBYMVUEGOMQBR-FNORWQNLSA-N 1 0 319.405 1.998 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H](CCO)C1CC1 ZINC000771799197 701331206 /nfs/dbraw/zinc/33/12/06/701331206.db2.gz KPBPKOLUNPXSQC-CHWSQXEVSA-N 1 0 310.350 1.085 20 5 DDBDRO COC[C@]1(C)CCN(Cn2c(=O)oc3cccc([N+](=O)[O-])c32)C1 ZINC000840105797 701971439 /nfs/dbraw/zinc/97/14/39/701971439.db2.gz RJSZGMZUWNRVJG-OAHLLOKOSA-N 1 0 321.333 1.819 20 5 DDBDRO [NH3+]CCCCCCNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000831110880 706636922 /nfs/dbraw/zinc/63/69/22/706636922.db2.gz ZKRPACWPSWYESU-UHFFFAOYSA-N 1 0 308.382 1.956 20 5 DDBDRO C[C@H]1[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000840458603 702116968 /nfs/dbraw/zinc/11/69/68/702116968.db2.gz CVGROMQSKOONJR-ZGKBOVNRSA-N 1 0 303.362 1.431 20 5 DDBDRO CC[N@H+](C[C@@H](C)OC)Cn1nc(C)c2cc([N+](=O)[O-])cnc21 ZINC000812301456 702143640 /nfs/dbraw/zinc/14/36/40/702143640.db2.gz HPPGDNCYVGZVJG-SNVBAGLBSA-N 1 0 307.354 1.962 20 5 DDBDRO Cc1cc(C(=O)N2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000812341056 702164104 /nfs/dbraw/zinc/16/41/04/702164104.db2.gz FGPNUMORGSCIRZ-KGLIPLIRSA-N 1 0 303.362 1.927 20 5 DDBDRO C[N@@H+]1C[C@@H]2CCN(C(=O)Cc3cccc(F)c3[N+](=O)[O-])[C@@H]2C1 ZINC000868519333 702174151 /nfs/dbraw/zinc/17/41/51/702174151.db2.gz AOSYIMLSSGVSQW-WCQYABFASA-N 1 0 307.325 1.439 20 5 DDBDRO CNC(=O)NC[C@H]1CCCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000879333679 706653124 /nfs/dbraw/zinc/65/31/24/706653124.db2.gz CMRHQRZYCXRUOO-OAHLLOKOSA-N 1 0 320.393 1.921 20 5 DDBDRO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000841024396 702314423 /nfs/dbraw/zinc/31/44/23/702314423.db2.gz SNAQHXUZKQFKST-OCVGTWLNSA-N 1 0 315.373 1.795 20 5 DDBDRO COCC[NH2+]CC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000831217525 706659961 /nfs/dbraw/zinc/65/99/61/706659961.db2.gz ABWFEJCUKPLEDG-UHFFFAOYSA-N 1 0 301.730 1.100 20 5 DDBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000831217914 706660127 /nfs/dbraw/zinc/66/01/27/706660127.db2.gz OAEBDBWJIQBWQK-FZMZJTMJSA-N 1 0 309.753 1.864 20 5 DDBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000817679669 702449155 /nfs/dbraw/zinc/44/91/55/702449155.db2.gz VGRZZAXPJSTLFH-VIFPVBQESA-N 1 0 310.329 1.482 20 5 DDBDRO [NH3+][C@@H](CNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl)C1CC1 ZINC000841854611 702588551 /nfs/dbraw/zinc/58/85/51/702588551.db2.gz CWLZBTCBZNUMCY-LBPRGKRZSA-N 1 0 312.757 1.785 20 5 DDBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC[C@]1(O)CCOC1 ZINC000866383470 706686637 /nfs/dbraw/zinc/68/66/37/706686637.db2.gz MPCLYSBBGHUWJL-ABAIWWIYSA-N 1 0 312.341 1.796 20 5 DDBDRO C[C@H]1CN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CC[NH2+]1 ZINC000842473591 702724989 /nfs/dbraw/zinc/72/49/89/702724989.db2.gz NQKZHFLLPVMXIW-VIFPVBQESA-N 1 0 312.757 1.480 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)CNC[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000843061706 702810791 /nfs/dbraw/zinc/81/07/91/702810791.db2.gz HKAGICAJLDDELP-HOTGVXAUSA-N 1 0 323.393 1.065 20 5 DDBDRO CC(C)C[C@H](O)C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000843069119 702813198 /nfs/dbraw/zinc/81/31/98/702813198.db2.gz JSUQUMGSAUCHRB-UONOGXRCSA-N 1 0 312.366 1.331 20 5 DDBDRO Cc1nc([N+](=O)[O-])c(-c2noc(CCCCCC[NH3+])n2)n1C ZINC000843222691 702845160 /nfs/dbraw/zinc/84/51/60/702845160.db2.gz TWECEGOVZMSPML-UHFFFAOYSA-N 1 0 308.342 1.748 20 5 DDBDRO CN(CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CC[NH2+]C1 ZINC000843351726 702864793 /nfs/dbraw/zinc/86/47/93/702864793.db2.gz ZLKFGZARTIAFOZ-SNVBAGLBSA-N 1 0 312.757 1.480 20 5 DDBDRO CC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CC[C@@H]1[NH3+] ZINC000843470758 702888486 /nfs/dbraw/zinc/88/84/86/702888486.db2.gz BYEHZOGAMFIFJU-FZMZJTMJSA-N 1 0 320.393 1.860 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CC[NH2+][C@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000843473194 702888675 /nfs/dbraw/zinc/88/86/75/702888675.db2.gz IOAHMRQRIDDVGI-ZJUUUORDSA-N 1 0 322.321 1.634 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCCCCCC[NH3+] ZINC000843507632 702896767 /nfs/dbraw/zinc/89/67/67/702896767.db2.gz ZRNMTWRGCANGNF-UHFFFAOYSA-N 1 0 308.382 1.910 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH+]2CCC(C3(O)CC3)CC2)cc1 ZINC000844363121 703019724 /nfs/dbraw/zinc/01/97/24/703019724.db2.gz NLDZEQGUQAJKBH-OAHLLOKOSA-N 1 0 306.362 1.865 20 5 DDBDRO Cc1nc([N+](=O)[O-])c(-c2noc(C[C@@H]3CCC[C@H]3[NH3+])n2)n1C ZINC000844915365 703084322 /nfs/dbraw/zinc/08/43/22/703084322.db2.gz DWMHZZVPUQQXDF-DTWKUNHWSA-N 1 0 306.326 1.357 20 5 DDBDRO O=[N+]([O-])c1ccc(-c2noc([C@]34C[NH2+]C[C@H]3COC4)n2)s1 ZINC000844916678 703084483 /nfs/dbraw/zinc/08/44/83/703084483.db2.gz MKKWCDUDTSGLOH-MADCSZMMSA-N 1 0 308.319 1.194 20 5 DDBDRO Cc1c(-c2noc([C@@H](N)CC[NH+](C)C)n2)cccc1[N+](=O)[O-] ZINC000844920019 703085187 /nfs/dbraw/zinc/08/51/87/703085187.db2.gz PUDGOTNODIDWNB-NSHDSACASA-N 1 0 305.338 1.905 20 5 DDBDRO CC(C)(C)[N@@H+]1CC[C@@H]1COC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000845736055 703195020 /nfs/dbraw/zinc/19/50/20/703195020.db2.gz RHGDHDLHLZRSJK-LLVKDONJSA-N 1 0 324.381 1.942 20 5 DDBDRO CCN1C[C@H](C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1=O ZINC000846210588 703251274 /nfs/dbraw/zinc/25/12/74/703251274.db2.gz ZILPNMVLRJLBNA-QWRGUYRKSA-N 1 0 306.366 1.696 20 5 DDBDRO CNc1nccc(C(=O)NCC[N@@H+]2CCC[C@H]2C)c1[N+](=O)[O-] ZINC000848373717 703544679 /nfs/dbraw/zinc/54/46/79/703544679.db2.gz JJYRKYYHQIJQRT-SNVBAGLBSA-N 1 0 307.354 1.246 20 5 DDBDRO Cc1ccc(C[NH2+]C[C@H]2CN(C3CC3)C(=O)O2)cc1[N+](=O)[O-] ZINC000848579185 703564918 /nfs/dbraw/zinc/56/49/18/703564918.db2.gz XEWFKYXHUVXCOF-ZDUSSCGKSA-N 1 0 305.334 1.976 20 5 DDBDRO O=[N+]([O-])c1cc(CN2C[C@@H]3C[C@H]2C[NH2+]3)ccc1Br ZINC000866677000 706761913 /nfs/dbraw/zinc/76/19/13/706761913.db2.gz TZBNNQASGWICOF-UWVGGRQHSA-N 1 0 312.167 1.903 20 5 DDBDRO COCCN1CCC[C@H]1C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819018839 704052664 /nfs/dbraw/zinc/05/26/64/704052664.db2.gz YNOSNRDUXYMBEC-HOTGVXAUSA-N 1 0 323.393 1.329 20 5 DDBDRO COCCOC[C@H](O)C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000819149044 704076450 /nfs/dbraw/zinc/07/64/50/704076450.db2.gz GKWFHHAJCHHEMR-GFCCVEGCSA-N 1 0 318.757 1.362 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]Cc2cccc(F)n2)c1 ZINC000819184125 704082812 /nfs/dbraw/zinc/08/28/12/704082812.db2.gz BIEJZACJCRMDFU-CYBMUJFWSA-N 1 0 321.308 1.658 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CCOc2ncccc2F)cc1 ZINC000819183002 704083044 /nfs/dbraw/zinc/08/30/44/704083044.db2.gz LACWSJCRLIWRFR-AWEZNQCLSA-N 1 0 321.308 1.831 20 5 DDBDRO COC(=O)NC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000852769569 704119711 /nfs/dbraw/zinc/11/97/11/704119711.db2.gz XPOATTNLKPGLEZ-UHFFFAOYSA-N 1 0 307.350 1.958 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N[C@]2(C)CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000852930659 704174640 /nfs/dbraw/zinc/17/46/40/704174640.db2.gz MDRNYDUUEHHVJJ-CYBMUJFWSA-N 1 0 308.294 1.293 20 5 DDBDRO C[NH+](C)CC1CN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000854723304 704444374 /nfs/dbraw/zinc/44/43/74/704444374.db2.gz WEHHFIMZFFTOJA-UHFFFAOYSA-N 1 0 311.313 1.133 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N(C)CC2C[NH+](C)C2)cc1[N+](=O)[O-] ZINC000855638234 704494098 /nfs/dbraw/zinc/49/40/98/704494098.db2.gz YTKSZGCYYGHZIC-UHFFFAOYSA-N 1 0 322.321 1.445 20 5 DDBDRO O=C(NC[C@H]1CCC[NH2+]1)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857764084 704621777 /nfs/dbraw/zinc/62/17/77/704621777.db2.gz HMTILILVNNFYMO-SECBINFHSA-N 1 0 315.276 1.435 20 5 DDBDRO CO[C@H](C[NH3+])Cc1nc(Cc2cccc([N+](=O)[O-])c2C)no1 ZINC000822862565 705063313 /nfs/dbraw/zinc/06/33/13/705063313.db2.gz KWASWHRMBFKVBH-NSHDSACASA-N 1 0 306.322 1.393 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(Cc2noc(CC[C@H](C)[NH3+])n2)c1 ZINC000823088933 705136298 /nfs/dbraw/zinc/13/62/98/705136298.db2.gz PEIIPNOPFYSSMS-VIFPVBQESA-N 1 0 306.322 1.857 20 5 DDBDRO CC[C@H]1[NH2+]CC[C@@H]1c1nc(-c2c([N+](=O)[O-])nc(C)n2C)no1 ZINC000823094030 705137170 /nfs/dbraw/zinc/13/71/70/705137170.db2.gz MKSQWXUFMVSTBD-DTWKUNHWSA-N 1 0 306.326 1.542 20 5 DDBDRO Cc1nc([N+](=O)[O-])c(-c2noc([C@H](C(C)C)[C@@H](C)[NH3+])n2)n1C ZINC000823094313 705137798 /nfs/dbraw/zinc/13/77/98/705137798.db2.gz OGRQNGZCDWYFIQ-VXNVDRBHSA-N 1 0 308.342 1.774 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)NC1CCC([NH+](C)C)CC1 ZINC000823119044 705145428 /nfs/dbraw/zinc/14/54/28/705145428.db2.gz BSVCWQDUTQYUKK-UHFFFAOYSA-N 1 0 309.370 1.089 20 5 DDBDRO COc1ccc(C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)cc1[N+](=O)[O-] ZINC000874848710 705202721 /nfs/dbraw/zinc/20/27/21/705202721.db2.gz GMDIGNFSLFCPRD-OLZOCXBDSA-N 1 0 319.361 1.912 20 5 DDBDRO CO[C@@H]1C[N@H+](C)[C@](C)(COC(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000861343131 705435219 /nfs/dbraw/zinc/43/52/19/705435219.db2.gz YYEATNIWWZEMQO-NHYWBVRUSA-N 1 0 323.349 1.443 20 5 DDBDRO O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)OCC[NH+]1CCC1 ZINC000861384665 705451792 /nfs/dbraw/zinc/45/17/92/705451792.db2.gz BHUZVGGGCTWBDJ-UHFFFAOYSA-N 1 0 304.306 1.193 20 5 DDBDRO O=C(NC[C@H]1C[NH2+]CCCO1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000825183077 705619212 /nfs/dbraw/zinc/61/92/12/705619212.db2.gz HPAIWXQGTSWOFN-SECBINFHSA-N 1 0 313.741 1.357 20 5 DDBDRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825379938 705658730 /nfs/dbraw/zinc/65/87/30/705658730.db2.gz UECFAZGVPIEYPG-ABAIWWIYSA-N 1 0 319.361 1.229 20 5 DDBDRO CCCN(CC[NH+](C)C)C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825720473 705721970 /nfs/dbraw/zinc/72/19/70/705721970.db2.gz FMPDJVRWBDTTKF-AWEZNQCLSA-N 1 0 309.366 1.428 20 5 DDBDRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825776605 705729659 /nfs/dbraw/zinc/72/96/59/705729659.db2.gz JUIRMXGUFHTWHE-UKRRQHHQSA-N 1 0 319.361 1.229 20 5 DDBDRO COC(=O)N1CCC[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000876996778 705952388 /nfs/dbraw/zinc/95/23/88/705952388.db2.gz DHXQGIRJGOMJRY-ZDUSSCGKSA-N 1 0 307.350 1.958 20 5 DDBDRO Cc1nn(C)c(C)c1C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877000753 705954855 /nfs/dbraw/zinc/95/48/55/705954855.db2.gz VPCIXWAZWHOBLU-UHFFFAOYSA-N 1 0 304.354 1.635 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000877003548 705955096 /nfs/dbraw/zinc/95/50/96/705955096.db2.gz WRLKUIJZBPTEEA-CYBMUJFWSA-N 1 0 323.324 1.514 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N(C)C[C@@H](C)[NH3+] ZINC000863565582 705958992 /nfs/dbraw/zinc/95/89/92/705958992.db2.gz NOYMPYGTOCMCQR-ZJUUUORDSA-N 1 0 310.354 1.209 20 5 DDBDRO C[C@](O)(C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC000877039221 705968727 /nfs/dbraw/zinc/96/87/27/705968727.db2.gz BTVJYMMXNMXFOV-XUJLQICISA-N 1 0 316.361 1.992 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)n3cc([N+](=O)[O-])cn3)CC[C@@H]21 ZINC000827328221 705976235 /nfs/dbraw/zinc/97/62/35/705976235.db2.gz DFQWIIHZFAYDNH-YPMHNXCESA-N 1 0 321.381 1.079 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(F)ccc3[N+](=O)[O-])CC[C@H]21 ZINC000827331140 705977610 /nfs/dbraw/zinc/97/76/10/705977610.db2.gz WSHUUTLNZSDACW-ZWNOBZJWSA-N 1 0 307.325 1.900 20 5 DDBDRO O=C(NCC[N@H+]1CC[C@H](O)C1)c1cccc([N+](=O)[O-])c1Cl ZINC000863833918 706025021 /nfs/dbraw/zinc/02/50/21/706025021.db2.gz XZCIVSFPVUVRSX-VIFPVBQESA-N 1 0 313.741 1.045 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)/C=C\CN1CCOCC1 ZINC000864404777 706158409 /nfs/dbraw/zinc/15/84/09/706158409.db2.gz OTZKIUQFBVOXBL-IHWYPQMZSA-N 1 0 305.334 1.730 20 5 DDBDRO COC(=O)C1=CC[C@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000877650655 706170079 /nfs/dbraw/zinc/17/00/79/706170079.db2.gz CMTKUADZCOQTBL-UNXYVOJBSA-N 1 0 306.322 1.346 20 5 DDBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000864610878 706212027 /nfs/dbraw/zinc/21/20/27/706212027.db2.gz VBAGLXZVUVCWOE-GFCCVEGCSA-N 1 0 309.341 1.877 20 5 DDBDRO O=C1CC[C@@H]([NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCN1 ZINC000829352436 706322406 /nfs/dbraw/zinc/32/24/06/706322406.db2.gz LWUGLVVCQIWGFI-CQSZACIVSA-N 1 0 318.377 1.386 20 5 DDBDRO CC1([NH+]2CCCCC2)CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000832234203 706877203 /nfs/dbraw/zinc/87/72/03/706877203.db2.gz IULJUSHJAIDUCC-UHFFFAOYSA-N 1 0 321.381 1.799 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CC2CCC3(CC3)CC2)c1 ZINC000872223603 707336531 /nfs/dbraw/zinc/33/65/31/707336531.db2.gz UQYOXPVDYBDTKP-AWEZNQCLSA-N 1 0 308.382 1.712 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@]12CCC[C@H]1OCC2 ZINC000872314636 707377382 /nfs/dbraw/zinc/37/73/82/707377382.db2.gz AGLQUJCDZRTAAN-MAZHCROVSA-N 1 0 322.361 1.636 20 5 DDBDRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000872779129 707596870 /nfs/dbraw/zinc/59/68/70/707596870.db2.gz MYCHKUCDGUVBFQ-UONOGXRCSA-N 1 0 304.350 1.367 20 5 DDBDRO C[N@H+](CCCCNC(=O)c1cc([N+](=O)[O-])ccc1N)C1CC1 ZINC000837225990 707601339 /nfs/dbraw/zinc/60/13/39/707601339.db2.gz XLVWQUWNNOQCGQ-UHFFFAOYSA-N 1 0 306.366 1.781 20 5 DDBDRO CC[N@@H+]1CC[C@H]1CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000882489179 707660799 /nfs/dbraw/zinc/66/07/99/707660799.db2.gz NRYBVLLZPIOUPU-ZDUSSCGKSA-N 1 0 316.361 1.829 20 5 DDBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000882490315 707661319 /nfs/dbraw/zinc/66/13/19/707661319.db2.gz MQSYWVSMDNSSRF-LLVKDONJSA-N 1 0 314.345 1.967 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H]1CCCS1(=O)=O ZINC000873080004 707722169 /nfs/dbraw/zinc/72/21/69/707722169.db2.gz JFUVENDQXFXVBA-LBPRGKRZSA-N 1 0 312.391 1.878 20 5 DDBDRO CC1([NH+]2CCC2)CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000882962600 707875208 /nfs/dbraw/zinc/87/52/08/707875208.db2.gz YKLNKAPWPTUKDQ-UHFFFAOYSA-N 1 0 318.377 1.758 20 5 DDBDRO CCN1CC[C@@H]1C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000883355533 707983481 /nfs/dbraw/zinc/98/34/81/707983481.db2.gz TWONXHVXXAQFIN-MGPQQGTHSA-N 1 0 307.398 1.959 20 5 DDBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000883757262 708059818 /nfs/dbraw/zinc/05/98/18/708059818.db2.gz HTHZVSQQRSSMER-CYBMUJFWSA-N 1 0 306.366 1.797 20 5 DDBDRO CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000884348529 708256591 /nfs/dbraw/zinc/25/65/91/708256591.db2.gz BIRFPWFZCXDYBN-NEPJUHHUSA-N 1 0 309.391 1.929 20 5 DDBDRO O=[N+]([O-])c1ncccc1C[NH2+][C@@H]1CCCC[C@@H]1N1CCOCC1 ZINC000886164352 708708619 /nfs/dbraw/zinc/70/86/19/708708619.db2.gz IWZWRHSLSMJUPA-CABCVRRESA-N 1 0 320.393 1.723 20 5 DDBDRO O=[N+]([O-])c1ncccc1C[NH2+][C@H]1CCCC[C@H]1N1CCOCC1 ZINC000886164355 708708623 /nfs/dbraw/zinc/70/86/23/708708623.db2.gz IWZWRHSLSMJUPA-LSDHHAIUSA-N 1 0 320.393 1.723 20 5 DDBDRO O=[N+]([O-])c1ncccc1C[NH2+][C@@H](C1CC1)C1(CO)CCOCC1 ZINC000886273838 708734251 /nfs/dbraw/zinc/73/42/51/708734251.db2.gz HISHDPYSOMVWFV-AWEZNQCLSA-N 1 0 321.377 1.647 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@](CO)(C(F)(F)F)C2)n1 ZINC000886799700 708847335 /nfs/dbraw/zinc/84/73/35/708847335.db2.gz VLBOFNFCCZMHFT-JTQLQIEISA-N 1 0 308.260 1.038 20 5 DDBDRO O=C(NCc1ccc(Nc2cc[nH+]cc2)cc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000899024487 708956277 /nfs/dbraw/zinc/95/62/77/708956277.db2.gz OLUTWQDPXDFCPT-HUUCEWRRSA-N 1 0 312.329 1.529 20 5 DDBDRO C[N@@H+]1C[C@@H]2CN(C(=O)Cc3ccccc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000887939163 709173319 /nfs/dbraw/zinc/17/33/19/709173319.db2.gz RPWNJMMSWFEQGO-CJNGLKHVSA-N 1 0 303.362 1.547 20 5 DDBDRO Cc1cc(C[NH+](C)C)ccc1NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000909614168 709540383 /nfs/dbraw/zinc/54/03/83/709540383.db2.gz RORKFKXOKKPBIU-UHFFFAOYSA-N 1 0 317.349 1.800 20 5 DDBDRO O=C(COc1cccc([N+](=O)[O-])c1)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912923011 713125486 /nfs/dbraw/zinc/12/54/86/713125486.db2.gz SBOATMJQHJFHGB-CYBMUJFWSA-N 1 0 305.334 1.280 20 5 DDBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000891722566 710275652 /nfs/dbraw/zinc/27/56/52/710275652.db2.gz FWTLZLRJXKQVJJ-GJZGRUSLSA-N 1 0 318.377 1.673 20 5 DDBDRO Cc1ccc(CNC(=O)N[C@H]2CC[C@H](C)[NH2+]C2)cc1[N+](=O)[O-] ZINC000892293216 710411566 /nfs/dbraw/zinc/41/15/66/710411566.db2.gz SCCUVRMSSRTPLK-AAEUAGOBSA-N 1 0 306.366 1.843 20 5 DDBDRO Cc1ccc(CNC(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)cc1[N+](=O)[O-] ZINC000892536999 710454049 /nfs/dbraw/zinc/45/40/49/710454049.db2.gz NGVMIBAZAACRJT-KBPBESRZSA-N 1 0 318.377 1.939 20 5 DDBDRO Cc1ccc(CNC(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)cc1[N+](=O)[O-] ZINC000892537001 710454189 /nfs/dbraw/zinc/45/41/89/710454189.db2.gz NGVMIBAZAACRJT-KGLIPLIRSA-N 1 0 318.377 1.939 20 5 DDBDRO O=[N+]([O-])c1cc(Cl)ccc1CNC[C@H](O)C[NH+]1CCCC1 ZINC000892670651 710479402 /nfs/dbraw/zinc/47/94/02/710479402.db2.gz VYALCFVSKSOVOC-ZDUSSCGKSA-N 1 0 313.785 1.795 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@]1(C)C[NH+]2CCC1CC2 ZINC000892794938 710501248 /nfs/dbraw/zinc/50/12/48/710501248.db2.gz YUGHOPAPOCPHHI-HNNXBMFYSA-N 1 0 321.381 1.090 20 5 DDBDRO CCC[C@@H]1CN(c2c([N+](=O)[O-])cnn2C)CC[N@@H+]1CCOC ZINC000893055777 710547855 /nfs/dbraw/zinc/54/78/55/710547855.db2.gz HNANMVQRSRYYMZ-GFCCVEGCSA-N 1 0 311.386 1.265 20 5 DDBDRO C[N@@H+]1C[C@H]2CCN(c3cc4c(cc3[N+](=O)[O-])CCC(=O)N4)[C@@H]2C1 ZINC000893939074 710893390 /nfs/dbraw/zinc/89/33/90/710893390.db2.gz HFDVBUMDOKJOLS-IAQYHMDHSA-N 1 0 316.361 1.620 20 5 DDBDRO C[NH2+][C@H]1CCN(C(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)C1 ZINC000911659793 710911542 /nfs/dbraw/zinc/91/15/42/710911542.db2.gz DSSJSSCNBXTWKD-JTQLQIEISA-N 1 0 321.333 1.190 20 5 DDBDRO COc1cc([C@H](C)[NH2+][C@@H]2CCCCNC2=O)cc([N+](=O)[O-])c1 ZINC000903064554 711021667 /nfs/dbraw/zinc/02/16/67/711021667.db2.gz CLTVAILCAGIPNN-IINYFYTJSA-N 1 0 307.350 1.923 20 5 DDBDRO COc1cc([C@H](C)[NH2+]C[C@H]2CCCNC2=O)cc([N+](=O)[O-])c1 ZINC000903184475 711058507 /nfs/dbraw/zinc/05/85/07/711058507.db2.gz CJGQZRNOMQEKHF-WDEREUQCSA-N 1 0 307.350 1.780 20 5 DDBDRO Cc1ccc(NC(=O)[C@]23C[NH2+]C[C@H]2CCOC3)cc1[N+](=O)[O-] ZINC000911907158 711062418 /nfs/dbraw/zinc/06/24/18/711062418.db2.gz UMUUKJUDSRQCNE-ABAIWWIYSA-N 1 0 305.334 1.468 20 5 DDBDRO C[N@H+]1C[C@H]2CC[C@@H](C1)N2c1ncnc2sc([N+](=O)[O-])cc21 ZINC000894879972 711306209 /nfs/dbraw/zinc/30/62/09/711306209.db2.gz ZQGOFKSKXHMEDM-DTORHVGOSA-N 1 0 305.363 1.882 20 5 DDBDRO C[C@H](Nc1c(Cl)cncc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCN1C ZINC000895248267 711465306 /nfs/dbraw/zinc/46/53/06/711465306.db2.gz ZPOXDGLMTYDWIL-CABZTGNLSA-N 1 0 313.789 1.111 20 5 DDBDRO COc1c(O)ccc(C[N@@H+]2CC[C@H]3COC[C@@H]3C2)c1[N+](=O)[O-] ZINC000895444173 711514001 /nfs/dbraw/zinc/51/40/01/711514001.db2.gz RFGFWHZJYRQKMC-RYUDHWBXSA-N 1 0 308.334 1.777 20 5 DDBDRO CN1CC[C@H]1CNc1nc(NC[C@@H]2CC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000895770306 711601588 /nfs/dbraw/zinc/60/15/88/711601588.db2.gz LUBOMHMXXRLYHB-RYUDHWBXSA-N 1 0 320.397 1.222 20 5 DDBDRO CSCc1n[nH]c(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)n1 ZINC000895813185 711614126 /nfs/dbraw/zinc/61/41/26/711614126.db2.gz GGCUMNRTCMICGY-UHFFFAOYSA-N 1 0 307.379 1.908 20 5 DDBDRO CCO[C@@H](CNc1cc(F)c([N+](=O)[O-])cc1CO)C[NH+](C)C ZINC000896110301 711677821 /nfs/dbraw/zinc/67/78/21/711677821.db2.gz SVTQVERSCLQAIV-NSHDSACASA-N 1 0 315.345 1.605 20 5 DDBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000896523831 711738102 /nfs/dbraw/zinc/73/81/02/711738102.db2.gz QYPQENCWBGYVEF-CYBMUJFWSA-N 1 0 323.397 1.785 20 5 DDBDRO CSc1nnc(CCC[NH2+]CC[N+](=O)[O-])n1C1CCCC1 ZINC000905038950 711916658 /nfs/dbraw/zinc/91/66/58/711916658.db2.gz DSGBNIYNXMVFCI-UHFFFAOYSA-N 1 0 313.427 1.914 20 5 DDBDRO O=C1C[C@@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CN1CC1CC1 ZINC000905448190 712039819 /nfs/dbraw/zinc/03/98/19/712039819.db2.gz AKRYLCRVSQPVDO-UKRRQHHQSA-N 1 0 319.361 1.229 20 5 DDBDRO Cn1cc(COc2ccc3c(c2)OCC[NH2+]C3)c([N+](=O)[O-])n1 ZINC000905612951 712095308 /nfs/dbraw/zinc/09/53/08/712095308.db2.gz JQQOVOMWWCGRAY-UHFFFAOYSA-N 1 0 304.306 1.389 20 5 DDBDRO C[N@@H+]1CC[C@H]1CNC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000913931064 713321421 /nfs/dbraw/zinc/32/14/21/713321421.db2.gz QGRFUOVZSOMDMA-ZDUSSCGKSA-N 1 0 307.354 1.010 20 5 DDBDRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)C1 ZINC000908350611 712749304 /nfs/dbraw/zinc/74/93/04/712749304.db2.gz ZUTSADOXPZLUGX-UFBFGSQYSA-N 1 0 324.768 1.607 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2Cc3cncn3C2)c1C ZINC000908759164 712849541 /nfs/dbraw/zinc/84/95/41/712849541.db2.gz ADEXPQVWQRAXLA-NSHDSACASA-N 1 0 300.318 1.763 20 5 DDBDRO COC[C@@H](C)[NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000916570970 713458468 /nfs/dbraw/zinc/45/84/68/713458468.db2.gz JLNFPHUEBVIHET-MRVPVSSYSA-N 1 0 301.730 1.811 20 5 DDBDRO Cn1cc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)c(C2CCCC2)n1 ZINC000921862411 713888852 /nfs/dbraw/zinc/88/88/52/713888852.db2.gz OKEKQTLWEZCZTC-UHFFFAOYSA-N 1 0 318.381 1.972 20 5 DDBDRO CCO[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1C)C[NH+](C)C ZINC000930883541 713949350 /nfs/dbraw/zinc/94/93/50/713949350.db2.gz SPKDNVRUSQRNKT-ZDUSSCGKSA-N 1 0 324.381 1.991 20 5 DDBDRO C[N@H+]1C[C@H]2CC[C@@H](C1)N2Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000931397838 714083911 /nfs/dbraw/zinc/08/39/11/714083911.db2.gz ZYGOCKJBPOIMFQ-OKILXGFUSA-N 1 0 319.361 1.740 20 5 DDBDRO COc1ccc(C[NH2+][C@H]2CCc3nnn(C)c3C2)cc1[N+](=O)[O-] ZINC000922996183 714208098 /nfs/dbraw/zinc/20/80/98/714208098.db2.gz SVXDWUXSSHZFDI-NSHDSACASA-N 1 0 317.349 1.379 20 5 DDBDRO CC1(C)C[NH2+]CCN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000923292781 714299732 /nfs/dbraw/zinc/29/97/32/714299732.db2.gz MLCUDUKVCOFSRU-GFCCVEGCSA-N 1 0 309.366 1.018 20 5 DDBDRO CN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923329700 714316538 /nfs/dbraw/zinc/31/65/38/714316538.db2.gz XOJDFIGHORHMEZ-MRKMAMSISA-N 1 0 305.378 1.843 20 5 DDBDRO COc1ccc(CN2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)cc1[N+](=O)[O-] ZINC000933743532 714660989 /nfs/dbraw/zinc/66/09/89/714660989.db2.gz GFGRSBJJUMKPPB-XJKSGUPXSA-N 1 0 305.378 1.987 20 5 DDBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@H]2C2OCCO2)cc1 ZINC000933909591 714699422 /nfs/dbraw/zinc/69/94/22/714699422.db2.gz OESCOGGFRRBDJX-AWEZNQCLSA-N 1 0 308.334 1.811 20 5 DDBDRO CSC1CC([NH2+][C@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000925079917 714743268 /nfs/dbraw/zinc/74/32/68/714743268.db2.gz HQMOGECGDFIHSW-HOFDXXJLSA-N 1 0 312.391 1.473 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCCC[C@H]([C@H]3CCOC3)C2)n1 ZINC000934838776 714914285 /nfs/dbraw/zinc/91/42/85/714914285.db2.gz OZFOKYWGXRIRGD-KBPBESRZSA-N 1 0 308.382 1.930 20 5 DDBDRO C[C@@H]1C[NH2+]C[C@H]1N[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000925787143 714934735 /nfs/dbraw/zinc/93/47/35/714934735.db2.gz XIUHPZLUVLDDTF-DFBGVHRSSA-N 1 0 315.377 1.615 20 5 DDBDRO Cc1ccnc(N2CC[C@@H]3[C@H]2CCN3CC[NH+](C)C)c1[N+](=O)[O-] ZINC001164928552 721854119 /nfs/dbraw/zinc/85/41/19/721854119.db2.gz OFDFHGNKIGDNSP-ZIAGYGMSSA-N 1 0 319.409 1.513 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1N1C[C@]23C[N@H+](C)C[C@@]2(C1)CCCC3 ZINC001120900037 782221006 /nfs/dbraw/zinc/22/10/06/782221006.db2.gz MDTOYKXLXMPVAP-GASCZTMLSA-N 1 0 305.382 1.641 20 5 DDBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)c1cocn1 ZINC001021896012 733648723 /nfs/dbraw/zinc/64/87/23/733648723.db2.gz SZXNWFUJQDDMJF-TXEJJXNPSA-N 1 0 316.317 1.633 20 5 DDBDRO CC(=O)N1CCc2cc(-n3cccc3C[NH3+])cc([N+](=O)[O-])c21 ZINC001167595799 734788781 /nfs/dbraw/zinc/78/87/81/734788781.db2.gz LNNWJOWAXGQWBD-UHFFFAOYSA-N 1 0 300.318 1.753 20 5 DDBDRO Cn1ccc(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001125659338 735033174 /nfs/dbraw/zinc/03/31/74/735033174.db2.gz UVHYDRJERBSOLP-UHFFFAOYSA-N 1 0 302.334 1.453 20 5 DDBDRO COC(=O)c1c(C)c([N+](=O)[O-])ccc1-n1ccc(C[NH3+])cc1=N ZINC001167693613 736219348 /nfs/dbraw/zinc/21/93/48/736219348.db2.gz WWNYZCZVHFZWML-UHFFFAOYSA-N 1 0 316.317 1.419 20 5 DDBDRO COc1cc(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])on1 ZINC001126036294 738159699 /nfs/dbraw/zinc/15/96/99/738159699.db2.gz FGZSLHCQKKLPQJ-UHFFFAOYSA-N 1 0 320.305 1.111 20 5 DDBDRO CC(C)[N@H+](C)CC(=O)N(C)CCN(C)c1ncccc1[N+](=O)[O-] ZINC001105415354 741196944 /nfs/dbraw/zinc/19/69/44/741196944.db2.gz PYNCXHNZOVPHDQ-UHFFFAOYSA-N 1 0 323.397 1.225 20 5 DDBDRO O=C(NCC[NH2+]C/C=C/c1ccc(Cl)cc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126936863 742853784 /nfs/dbraw/zinc/85/37/84/742853784.db2.gz VFPSMGCVZWVGCT-GEYXIOIISA-N 1 0 323.780 1.724 20 5 DDBDRO COC(=O)c1cnc(N2C[C@@H]3C[N@@H+](C)CC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001186895577 744462250 /nfs/dbraw/zinc/46/22/50/744462250.db2.gz IBULHIBSTHVVAW-PWSUYJOCSA-N 1 0 320.349 1.164 20 5 DDBDRO Cc1ncc(CN[C@](C)(CO)c2cccc([N+](=O)[O-])c2)cn1 ZINC001196907727 747005144 /nfs/dbraw/zinc/00/51/44/747005144.db2.gz NBUJEVPDRIVBAJ-OAHLLOKOSA-N 1 0 302.334 1.691 20 5 DDBDRO O=[N+]([O-])c1ccc(C[N@H+]2C[C@H](CCO)[C@H](CO)C2)c(Cl)c1 ZINC001198752039 747598663 /nfs/dbraw/zinc/59/86/63/747598663.db2.gz HZEKDJBMNMFTRD-JQWIXIFHSA-N 1 0 314.769 1.671 20 5 DDBDRO O=C(C[NH+]1CCCC1)NC/C=C\CNc1ccc([N+](=O)[O-])cn1 ZINC001107201540 749555902 /nfs/dbraw/zinc/55/59/02/749555902.db2.gz TVTNJZCZEXLFKC-UPHRSURJSA-N 1 0 319.365 1.170 20 5 DDBDRO C[NH+](C)CCC(=O)NC1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001095445496 749906436 /nfs/dbraw/zinc/90/64/36/749906436.db2.gz XGXGUANRZDSUPG-UHFFFAOYSA-N 1 0 320.393 1.632 20 5 DDBDRO O=C(N[C@H]1CC[C@H]([NH2+]Cc2ccns2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001034644741 750627077 /nfs/dbraw/zinc/62/70/77/750627077.db2.gz LMJRYXPSPAJODG-FPQZTECRSA-N 1 0 324.406 1.325 20 5 DDBDRO COCC(=O)N1CCC(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000997453368 750933967 /nfs/dbraw/zinc/93/39/67/750933967.db2.gz JXGSWYFMBLPNDH-UHFFFAOYSA-N 1 0 321.377 1.569 20 5 DDBDRO COCC(=O)N1CCC(C[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000997453136 750933998 /nfs/dbraw/zinc/93/39/98/750933998.db2.gz JNRIQAWKZAOLEM-UHFFFAOYSA-N 1 0 321.377 1.569 20 5 DDBDRO O=C(NCC[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccc(F)cc1 ZINC001168978424 762147216 /nfs/dbraw/zinc/14/72/16/762147216.db2.gz SAYWCWJNCHOYMY-SMDDNHRTSA-N 1 0 309.341 1.591 20 5 DDBDRO Cc1cccc(N2CC[NH+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)n1 ZINC001169006708 762174736 /nfs/dbraw/zinc/17/47/36/762174736.db2.gz IZPVCCHTAXJZHB-GJZGRUSLSA-N 1 0 304.394 1.957 20 5 DDBDRO CCOC(=O)C1=C(O)CC[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169029690 762186798 /nfs/dbraw/zinc/18/67/98/762186798.db2.gz VFSCUCSJTKGPJQ-RWMBFGLXSA-N 1 0 312.366 1.276 20 5 DDBDRO Nc1cccnc1N1CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169036502 762191740 /nfs/dbraw/zinc/19/17/40/762191740.db2.gz GCOTTWWMVMNUMT-QWHCGFSZSA-N 1 0 305.382 1.231 20 5 DDBDRO O=C1N(c2ccccc2)CC12C[NH+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169037710 762192615 /nfs/dbraw/zinc/19/26/15/762192615.db2.gz SZWGMBHIJHENLH-DZGCQCFKSA-N 1 0 315.373 1.781 20 5 DDBDRO Cc1ccc(N2CC[NH+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)nc1 ZINC001169037234 762192656 /nfs/dbraw/zinc/19/26/56/762192656.db2.gz RGWNCWDKZKFRIK-GJZGRUSLSA-N 1 0 304.394 1.957 20 5 DDBDRO COc1ccnc(O[C@@H]2CC[N@@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C2)c1 ZINC001169053569 762208259 /nfs/dbraw/zinc/20/82/59/762208259.db2.gz ITPPFICTYNWZHF-GZBFAFLISA-N 1 0 321.377 1.989 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CC[C@H](Oc3ncc(F)cn3)C2)C1 ZINC001169054390 762210304 /nfs/dbraw/zinc/21/03/04/762210304.db2.gz LTEJMGNVMCYJCB-RTXFEEFZSA-N 1 0 310.329 1.514 20 5 DDBDRO CCOC(=O)c1cc(-n2ccnc2CC[NH3+])ccc1[N+](=O)[O-] ZINC001166382769 757040275 /nfs/dbraw/zinc/04/02/75/757040275.db2.gz IHTQFPJOLCHUSP-UHFFFAOYSA-N 1 0 304.306 1.458 20 5 DDBDRO Cc1ncc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)s1 ZINC001086363398 761492626 /nfs/dbraw/zinc/49/26/26/761492626.db2.gz RNUWYYRISSVKLE-FPQZTECRSA-N 1 0 324.406 1.101 20 5 DDBDRO O=C(N[C@H]1CC[C@H](C[NH2+]CC2CCC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001050325720 763467572 /nfs/dbraw/zinc/46/75/72/763467572.db2.gz LKQIVEVMZKRIRK-KBUPBQIOSA-N 1 0 309.410 1.716 20 5 DDBDRO Cc1ccnc(NCCCN(C)C(=O)CC[NH+](C)C)c1[N+](=O)[O-] ZINC001109616644 763880568 /nfs/dbraw/zinc/88/05/68/763880568.db2.gz LZCNACRAUSUPQH-UHFFFAOYSA-N 1 0 323.397 1.510 20 5 DDBDRO CCOC(=O)c1cccc([N+](=O)[O-])c1N[C@H](C)[C@H]1C[NH2+]CCO1 ZINC001170570885 768192173 /nfs/dbraw/zinc/19/21/73/768192173.db2.gz LSHKMUOLIYAVPI-ZWNOBZJWSA-N 1 0 323.349 1.560 20 5 DDBDRO C[C@@H](Nc1ccc2ncccc2c1[N+](=O)[O-])[C@@H]1C[NH2+]CCO1 ZINC001170576263 768249423 /nfs/dbraw/zinc/24/94/23/768249423.db2.gz ZOOUQTOLUYAFDI-YGRLFVJLSA-N 1 0 302.334 1.932 20 5 DDBDRO COc1ccc(C[C@@H](C)[NH2+]CCn2cnnc2)c([N+](=O)[O-])c1 ZINC001170304454 766230549 /nfs/dbraw/zinc/23/05/49/766230549.db2.gz BZFSEGFSWZURHC-LLVKDONJSA-N 1 0 305.338 1.416 20 5 DDBDRO COc1ccc(C[C@H](C)[NH2+]C2CN(C(C)=O)C2)c([N+](=O)[O-])c1 ZINC001170315901 766246245 /nfs/dbraw/zinc/24/62/45/766246245.db2.gz ZFFFUWMROWVBHA-JTQLQIEISA-N 1 0 307.350 1.355 20 5 DDBDRO COc1ccc(C[C@H](C)n2c(C)nnc2C[NH3+])c([N+](=O)[O-])c1 ZINC001170326669 766252594 /nfs/dbraw/zinc/25/25/94/766252594.db2.gz BJJXJJRYCVMQQH-VIFPVBQESA-N 1 0 305.338 1.766 20 5 DDBDRO COc1ccc(C[C@H](C)[NH2+]C2CC(CO)(CO)C2)c([N+](=O)[O-])c1 ZINC001170308649 766259654 /nfs/dbraw/zinc/25/96/54/766259654.db2.gz NLDBHUOSQYRQSX-NSHDSACASA-N 1 0 324.377 1.257 20 5 DDBDRO Cc1noc(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)c1C ZINC001130066417 767217535 /nfs/dbraw/zinc/21/75/35/767217535.db2.gz YGTSAJSSKIHTCM-UHFFFAOYSA-N 1 0 318.333 1.719 20 5 DDBDRO O=C(NCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1ccsn1 ZINC001130098331 767261622 /nfs/dbraw/zinc/26/16/22/767261622.db2.gz AOXYQYJFOQMKEO-UHFFFAOYSA-N 1 0 306.347 1.571 20 5 DDBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1csc(=O)[nH]1 ZINC001132643671 769060565 /nfs/dbraw/zinc/06/05/65/769060565.db2.gz AZSSSMHBUYNJCM-UHFFFAOYSA-N 1 0 322.346 1.277 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(N[C@H]2C[C@H](NC(=O)CC[NH+](C)C)C2)c1 ZINC001097096474 771622280 /nfs/dbraw/zinc/62/22/80/771622280.db2.gz MASVXVUSFDSQRS-JOCQHMNTSA-N 1 0 320.393 1.914 20 5 DDBDRO CCOC(=O)CN(CC[NH3+])c1cc([N+](=O)[O-])cc2cc[nH]c21 ZINC001170993826 772040902 /nfs/dbraw/zinc/04/09/02/772040902.db2.gz AWHWVIYPQIEYJH-UHFFFAOYSA-N 1 0 306.322 1.404 20 5 DDBDRO C[NH+](C)CCC(=O)NC[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001091512508 772795418 /nfs/dbraw/zinc/79/54/18/772795418.db2.gz XZPXOGDLFTWXAS-MQMHXKEQSA-N 1 0 320.393 1.853 20 5 DDBDRO C[NH+](C)CCC(=O)N1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC001093193759 774494488 /nfs/dbraw/zinc/49/44/88/774494488.db2.gz XMOASFZUPNVUFE-UHFFFAOYSA-N 1 0 324.356 1.334 20 5 DDBDRO Cc1cc([N+](=O)[O-])cnc1NCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001094089900 775422250 /nfs/dbraw/zinc/42/22/50/775422250.db2.gz NOQYCZPKLKWFDJ-UHFFFAOYSA-N 1 0 321.381 1.168 20 5 DDBDRO Cc1cc(NCCNC(=O)C2(C[NH+](C)C)CC2)ncc1[N+](=O)[O-] ZINC001094089883 775423150 /nfs/dbraw/zinc/42/31/50/775423150.db2.gz MYCCYJJLWWRYSN-UHFFFAOYSA-N 1 0 321.381 1.168 20 5 DDBDRO O=C1NCCN1CC[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172897166 776912920 /nfs/dbraw/zinc/91/29/20/776912920.db2.gz XSSPFIONKAZHAI-CQSZACIVSA-N 1 0 318.377 1.457 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]C1(CO)CCOCC1)CC2 ZINC001172898971 776914340 /nfs/dbraw/zinc/91/43/40/776914340.db2.gz KBIKWXDJNZXZGX-HNNXBMFYSA-N 1 0 320.389 1.973 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+][C@H]1COCC[C@@H]1O)CC2 ZINC001172902021 776916076 /nfs/dbraw/zinc/91/60/76/776916076.db2.gz TURCOSJGHRYYHP-BPUTZDHNSA-N 1 0 306.362 1.582 20 5 DDBDRO [NH3+]CCC[C@H]([NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1)C(=O)[O-] ZINC001172902988 776916198 /nfs/dbraw/zinc/91/61/98/776916198.db2.gz OFWIWILZZDNEEO-ZFWWWQNUSA-N 1 0 321.377 1.624 20 5 DDBDRO CC(=O)N1CC([NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172904326 776916824 /nfs/dbraw/zinc/91/68/24/776916824.db2.gz WZWXAMBYVMQRTE-CQSZACIVSA-N 1 0 303.362 1.663 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1CCOC[C@@H](O)C1)CC2 ZINC001172903901 776917082 /nfs/dbraw/zinc/91/70/82/776917082.db2.gz JKBXUHKTIIBVFR-HOCLYGCPSA-N 1 0 306.362 1.535 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CC2CN(C)C2)c1F ZINC001173192464 777037826 /nfs/dbraw/zinc/03/78/26/777037826.db2.gz QDBRUKGENHAVTD-SNVBAGLBSA-N 1 0 311.357 1.825 20 5 DDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)CCN1CCOCC1 ZINC001173228944 777062246 /nfs/dbraw/zinc/06/22/46/777062246.db2.gz OEXVEUBSWGYNDO-CQSZACIVSA-N 1 0 307.394 1.790 20 5 DDBDRO CNC(=O)N[C@H]1CCC[N@@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173235891 777063977 /nfs/dbraw/zinc/06/39/77/777063977.db2.gz CBLYZLMFSAWQKM-OCCSQVGLSA-N 1 0 320.393 1.919 20 5 DDBDRO CN(CCNc1ccc(F)cc1[N+](=O)[O-])C(=O)CC[NH+](C)C ZINC001101926983 777688775 /nfs/dbraw/zinc/68/87/75/777688775.db2.gz IKEMNGVGNAAVKX-UHFFFAOYSA-N 1 0 312.345 1.556 20 5 DDBDRO C[NH+](C)CC[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC001177532312 778639204 /nfs/dbraw/zinc/63/92/04/778639204.db2.gz MHPGECWMDLDSBI-NSHDSACASA-N 1 0 306.366 1.591 20 5 DDBDRO Cc1nc(C[NH2+]CCCCCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])co1 ZINC001178463761 779060994 /nfs/dbraw/zinc/06/09/94/779060994.db2.gz LCGBGJYKWHMWNW-ZIAGYGMSSA-N 1 0 324.381 1.414 20 5 DDBDRO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC001116795034 780560048 /nfs/dbraw/zinc/56/00/48/780560048.db2.gz HKALMIWFCANDQI-QWRGUYRKSA-N 1 0 308.338 1.298 20 5 DDBDRO C[C@H](C[N+](C)(C)C)OC[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC001224568959 844917049 /nfs/dbraw/zinc/91/70/49/844917049.db2.gz PTDHZTAPIAEFQM-ZIAGYGMSSA-N 1 0 317.450 1.734 20 5 DDBDRO [NH3+]Cc1cn(-c2nc(Cl)nc3ccc([N+](=O)[O-])cc32)cn1 ZINC001154907233 861558913 /nfs/dbraw/zinc/55/89/13/861558913.db2.gz YKVXTEXQMUPSQS-UHFFFAOYSA-N 1 0 304.697 1.836 20 5 DDBDRO Cc1cccc(C[N@@H+](C)CCCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC001327213618 861969521 /nfs/dbraw/zinc/96/95/21/861969521.db2.gz VGJSXUBUAGZGDA-HZPDHXFCSA-N 1 0 319.405 1.941 20 5 DDBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC001150030316 862035976 /nfs/dbraw/zinc/03/59/76/862035976.db2.gz LHNSTEVKAGJJNX-CMPLNLGQSA-N 1 0 320.349 1.252 20 5 DDBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N[C@H]1C[NH2+]Cc2ccsc21 ZINC001155562135 862231481 /nfs/dbraw/zinc/23/14/81/862231481.db2.gz RCMWQUFMXUBNEF-JTQLQIEISA-N 1 0 306.347 1.855 20 5 DDBDRO O=C1C[C@H]2[NH2+]CC[C@]2(Nc2ccc3c(cccc3[N+](=O)[O-])n2)N1 ZINC001155568654 862232909 /nfs/dbraw/zinc/23/29/09/862232909.db2.gz AUIJNMQAHQGXFO-DOMZBBRYSA-N 1 0 313.317 1.133 20 5 DDBDRO Cc1c(C)c(N[C@H]2CCO[C@]3(CC[NH2+]C3)C2)ncc1[N+](=O)[O-] ZINC001155624369 862308232 /nfs/dbraw/zinc/30/82/32/862308232.db2.gz WDBCQAFRUDLZNF-SWLSCSKDSA-N 1 0 306.366 1.930 20 5 DDBDRO COc1cc(C(=O)N2CC[C@@H]3CC[C@@]32C[NH3+])cc([N+](=O)[O-])c1C ZINC001122321910 858751731 /nfs/dbraw/zinc/75/17/31/858751731.db2.gz ZMICCXLTDXESSX-BLLLJJGKSA-N 1 0 319.361 1.865 20 5 DDBDRO CCSCCC(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001124130604 859594579 /nfs/dbraw/zinc/59/45/79/859594579.db2.gz PMHRGKMGFLNQID-UHFFFAOYSA-N 1 0 311.407 1.944 20 5 DDBDRO CN(c1cc([N+](=O)[O-])cc(Cl)[n+]1[O-])[C@]1(C)CCC[NH2+]C1 ZINC001156968680 863484200 /nfs/dbraw/zinc/48/42/00/863484200.db2.gz WJIWRQODRZAAKE-GFCCVEGCSA-N 1 0 300.746 1.460 20 5 DDBDRO COC(=O)c1cnc(N2C[C@H]3CCC[N@H+](C)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001157266085 863695691 /nfs/dbraw/zinc/69/56/91/863695691.db2.gz NQEOHOJJWFQXQE-ZWNOBZJWSA-N 1 0 320.349 1.307 20 5 DDBDRO CCOc1nc(N2C[C@H]3[C@H](C2)CCC[N@@H+]3C)ccc1[N+](=O)[O-] ZINC001157271745 863701261 /nfs/dbraw/zinc/70/12/61/863701261.db2.gz JEPFBZOOKHSRLO-AAEUAGOBSA-N 1 0 306.366 1.919 20 5 DDBDRO CC(C)[N@H+](C)CCNC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001329991742 864000556 /nfs/dbraw/zinc/00/05/56/864000556.db2.gz QRCZPGIHCHMFRV-UHFFFAOYSA-N 1 0 306.366 1.960 20 5 DDBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CCC[C@@H]([NH3+])[C@@H]1C ZINC001157742558 864092956 /nfs/dbraw/zinc/09/29/56/864092956.db2.gz FFUGBAABLNDOTF-JOYOIKCWSA-N 1 0 308.338 1.483 20 5 DDBDRO CN1CCN(C(=[NH2+])Nc2ccc3c(cccc3[N+](=O)[O-])n2)CC1 ZINC001157915490 864256581 /nfs/dbraw/zinc/25/65/81/864256581.db2.gz ZHLNYNYGYBPNCU-UHFFFAOYSA-N 1 0 314.349 1.737 20 5 DDBDRO COCCC(=O)NCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001154021881 864326116 /nfs/dbraw/zinc/32/61/16/864326116.db2.gz XGJNEGPGQDHPOX-UHFFFAOYSA-N 1 0 301.368 1.289 20 5 DDBDRO [NH3+]Cc1cnnn1C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1 ZINC001158420096 864643271 /nfs/dbraw/zinc/64/32/71/864643271.db2.gz BBQNPBMBBSTTOC-UHFFFAOYSA-N 1 0 304.644 1.291 20 5 DDBDRO COC(=O)CCc1ccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)cc1 ZINC001227901613 883223819 /nfs/dbraw/zinc/22/38/19/883223819.db2.gz OBLDWBIKPSPTTE-CQSZACIVSA-N 1 0 324.397 1.155 20 5 DDBDRO CO[C@@H]1CN(c2cc(Cl)nc3ccc([N+](=O)[O-])cc32)C[C@@H]1[NH3+] ZINC001158712305 864841606 /nfs/dbraw/zinc/84/16/06/864841606.db2.gz DLQAVAZVKFKPQW-GXFFZTMASA-N 1 0 322.752 1.959 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)NOCC[NH+](C)C)cc1[N+](=O)[O-] ZINC001331184368 864928622 /nfs/dbraw/zinc/92/86/22/864928622.db2.gz KFCCZKWBESTOPC-UHFFFAOYSA-N 1 0 312.282 1.034 20 5 DDBDRO O=[N+]([O-])c1c(Cl)nc(Cl)nc1NC[C@H]1COCC[NH2+]1 ZINC001159042480 865067067 /nfs/dbraw/zinc/06/70/67/865067067.db2.gz GSIXOMKTSPNYOU-YFKPBYRVSA-N 1 0 308.125 1.092 20 5 DDBDRO [NH3+]CCOCCOCCNc1nc2ccccc2cc1[N+](=O)[O-] ZINC001159445853 865301644 /nfs/dbraw/zinc/30/16/44/865301644.db2.gz VZLIILIHYYOBPU-UHFFFAOYSA-N 1 0 320.349 1.547 20 5 DDBDRO C[C@H](Nc1ncnc2ccc([N+](=O)[O-])cc21)[C@@H]1C[NH2+]CCO1 ZINC001159496839 865347738 /nfs/dbraw/zinc/34/77/38/865347738.db2.gz LBQVXFPOQUORHW-ZANVPECISA-N 1 0 303.322 1.327 20 5 DDBDRO O=[N+]([O-])c1c(Cl)cc(Cl)nc1N[C@@H]1C[NH2+]C[C@H]1CO ZINC001159677610 865465584 /nfs/dbraw/zinc/46/55/84/865465584.db2.gz LFEDJCJXSFPZKA-CAHLUQPWSA-N 1 0 307.137 1.289 20 5 DDBDRO CC(=O)O[C@@H]1C[C@@H]2C[C@H](Oc3cccnc3[N+](=O)[O-])C[C@H]1[N@@H+]2C ZINC001225629915 881945218 /nfs/dbraw/zinc/94/52/18/881945218.db2.gz SUPDTKQTLZJECC-CIQGVGRVSA-N 1 0 321.333 1.535 20 5 DDBDRO Cc1c(C)c(NC2CCN([C@@H]3CC[NH2+]C3)CC2)ncc1[N+](=O)[O-] ZINC001161471084 866692273 /nfs/dbraw/zinc/69/22/73/866692273.db2.gz XJLNGGYTVVJYTL-CQSZACIVSA-N 1 0 319.409 1.845 20 5 DDBDRO COC(=O)c1ncc([N+](=O)[O-])cc1NC[C@@H]1CCC[NH2+]C[C@H]1C ZINC001162470794 867557911 /nfs/dbraw/zinc/55/79/11/867557911.db2.gz MMAXTAUMOKZADC-MNOVXSKESA-N 1 0 322.365 1.824 20 5 DDBDRO C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])cn3)C[C@H]2C1 ZINC001334794523 867834777 /nfs/dbraw/zinc/83/47/77/867834777.db2.gz ALMDUVLAGDGJHQ-YNEHKIRRSA-N 1 0 318.377 1.792 20 5 DDBDRO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])o3)C[C@@H]2C1 ZINC001334831288 867851797 /nfs/dbraw/zinc/85/17/97/867851797.db2.gz HEHPUGQJSGQTQP-GRYCIOLGSA-N 1 0 307.350 1.990 20 5 DDBDRO O=[N+]([O-])c1cc2c(ncnc2N[C@H]2COCCC23C[NH2+]C3)s1 ZINC001163073523 868056993 /nfs/dbraw/zinc/05/69/93/868056993.db2.gz LLVDXMJWMSWFDU-VIFPVBQESA-N 1 0 321.362 1.390 20 5 DDBDRO O=[N+]([O-])c1c[nH]c2nc(NCc3noc4c3C[NH2+]CC4)ccc12 ZINC001163125664 868127950 /nfs/dbraw/zinc/12/79/50/868127950.db2.gz DFQLFZMVGDWXBU-UHFFFAOYSA-N 1 0 314.305 1.717 20 5 DDBDRO O=[N+]([O-])c1ccc(Cl)nc1NCc1noc2c1C[NH2+]CC2 ZINC001163131404 868138739 /nfs/dbraw/zinc/13/87/39/868138739.db2.gz DAXRHXXZIJRIPF-UHFFFAOYSA-N 1 0 309.713 1.889 20 5 DDBDRO COc1cc(Cc2noc(C3(C)C[NH2+]C3)n2)ccc1[N+](=O)[O-] ZINC001325668211 868235689 /nfs/dbraw/zinc/23/56/89/868235689.db2.gz UPKWSFLTTMAAAZ-UHFFFAOYSA-N 1 0 304.306 1.438 20 5 DDBDRO C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C[C@H]2C1 ZINC001335370516 868255139 /nfs/dbraw/zinc/25/51/39/868255139.db2.gz LTLDTQDTHSMVEG-QJPTWQEYSA-N 1 0 306.366 1.725 20 5 DDBDRO COc1cc([N+](=O)[O-])cnc1N[C@@H]1CCO[C@]2(CC[NH2+]C2)C1 ZINC001163302965 868325137 /nfs/dbraw/zinc/32/51/37/868325137.db2.gz AHHPAIMDHVFLEA-QMTHXVAHSA-N 1 0 308.338 1.321 20 5 DDBDRO CCN1CCC[C@H]1C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001336728336 869112157 /nfs/dbraw/zinc/11/21/57/869112157.db2.gz PURZKKARGYNLEZ-ZDUSSCGKSA-N 1 0 320.393 1.997 20 5 DDBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N[C@]12CCC[C@H]1C[NH2+]C2 ZINC001336863490 869188181 /nfs/dbraw/zinc/18/81/81/869188181.db2.gz RTZJKJMVWVFGOJ-BBRMVZONSA-N 1 0 318.377 1.579 20 5 DDBDRO O=C(Cc1cnoc1)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001164459438 869206017 /nfs/dbraw/zinc/20/60/17/869206017.db2.gz UDJIVRHEVSBDDE-UHFFFAOYSA-N 1 0 318.333 1.421 20 5 DDBDRO C[C@H](CNC(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1ccccc1[N+](=O)[O-] ZINC001337029761 869275784 /nfs/dbraw/zinc/27/57/84/869275784.db2.gz KXNZJIFWGLFRIH-ZMJPVWNMSA-N 1 0 318.377 1.890 20 5 DDBDRO O=[N+]([O-])c1cc(C(F)(F)N2C[C@H]3C[NH2+][C@@H]3C2)cnc1Cl ZINC001165195325 869420423 /nfs/dbraw/zinc/42/04/23/869420423.db2.gz YEISKBBJUMDCOL-HTRCEHHLSA-N 1 0 304.684 1.596 20 5 DDBDRO O=[N+]([O-])c1cccc2ccc(N3C[C@H]4C[NH2+]C[C@@]4(CO)C3)nc21 ZINC001165283909 869492478 /nfs/dbraw/zinc/49/24/78/869492478.db2.gz OWNJWEBJUNDLPH-WBMJQRKESA-N 1 0 314.345 1.161 20 5 DDBDRO [NH3+][C@]12C[C@H]1CN(c1cc([N+](=O)[O-])cc3c(Cl)ncnc31)C2 ZINC001165321155 869517042 /nfs/dbraw/zinc/51/70/42/869517042.db2.gz ZYGOLESDNSUMKV-CPFSXVBKSA-N 1 0 305.725 1.729 20 5 DDBDRO O=[N+]([O-])c1cnc(N2CC[C@H]3CCCO[C@@H]3C2)nc1C1C[NH2+]C1 ZINC001165330342 869521554 /nfs/dbraw/zinc/52/15/54/869521554.db2.gz IVQDLJUADJGWMP-ZWNOBZJWSA-N 1 0 319.365 1.077 20 5 DDBDRO Cc1nc2c(n1-c1cc(Cl)ncc1[N+](=O)[O-])CC[NH2+]CC2 ZINC001165352591 869540253 /nfs/dbraw/zinc/54/02/53/869540253.db2.gz XNAUAOHTKIFRMM-UHFFFAOYSA-N 1 0 307.741 1.826 20 5 DDBDRO [NH3+]C1([C@H]2CN(c3nc(Cl)ncc3[N+](=O)[O-])C[C@@H]2CF)CC1 ZINC001165426376 869589878 /nfs/dbraw/zinc/58/98/78/869589878.db2.gz BSRZKHMECLDGLX-YUMQZZPRSA-N 1 0 315.736 1.551 20 5 DDBDRO CCOc1nc(N2C[C@H](CF)[C@@H](C3([NH3+])CC3)C2)ccc1[N+](=O)[O-] ZINC001165435386 869599749 /nfs/dbraw/zinc/59/97/49/869599749.db2.gz VEUORQGFJPSLOX-QWRGUYRKSA-N 1 0 324.356 1.902 20 5 DDBDRO CCOc1nc(N2C[C@H](CF)[C@H](C3([NH3+])CC3)C2)ccc1[N+](=O)[O-] ZINC001165435387 869600172 /nfs/dbraw/zinc/60/01/72/869600172.db2.gz VEUORQGFJPSLOX-WDEREUQCSA-N 1 0 324.356 1.902 20 5 DDBDRO COCc1nn(-c2ncc([N+](=O)[O-])c(C)c2C)c2c1C[NH2+]C2 ZINC001165632644 869662490 /nfs/dbraw/zinc/66/24/90/869662490.db2.gz HEOVTEWOHQMTOS-UHFFFAOYSA-N 1 0 303.322 1.542 20 5 DDBDRO CC[NH+]1CCN(C2CN(c3cc(C)c([N+](=O)[O-])cn3)C2)CC1 ZINC001337982322 869727565 /nfs/dbraw/zinc/72/75/65/869727565.db2.gz HNIWCDYPEMMGDK-UHFFFAOYSA-N 1 0 305.382 1.124 20 5 DDBDRO C[C@@H](c1nnc(N2CCC([NH+]3CCCCC3)CC2)n1C)[N+](=O)[O-] ZINC001338210838 869869218 /nfs/dbraw/zinc/86/92/18/869869218.db2.gz XKYAGRMSBODPGS-LBPRGKRZSA-N 1 0 322.413 1.608 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCN2C[C@H]3CC[C@@H](C2)O3)c1 ZINC001338506769 870022897 /nfs/dbraw/zinc/02/28/97/870022897.db2.gz ZQNHPTSHJFPGFB-XHSDSOJGSA-N 1 0 321.377 1.081 20 5 DDBDRO CN(C)[C@@H]1CCC[C@H]1[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001338533997 870034200 /nfs/dbraw/zinc/03/42/00/870034200.db2.gz BVHWNNROFPIPRV-TZMCWYRMSA-N 1 0 320.393 1.996 20 5 DDBDRO O=[N+]([O-])c1cccc(-n2cc3c(cccc3N3CC[NH2+]CC3)n2)n1 ZINC001166991465 870454586 /nfs/dbraw/zinc/45/45/86/870454586.db2.gz MTOFDMVZIGDQTC-UHFFFAOYSA-N 1 0 324.344 1.738 20 5 DDBDRO COC(=O)c1cc(OC)c(O[C@@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC001226430082 882426838 /nfs/dbraw/zinc/42/68/38/882426838.db2.gz CERRPCORPJLBDP-SNVBAGLBSA-N 1 0 324.333 1.863 20 5 DDBDRO CSCC[C@H]([NH3+])CC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC001339974522 870815099 /nfs/dbraw/zinc/81/50/99/870815099.db2.gz SREUHSDPJKDWIQ-LBPRGKRZSA-N 1 0 311.407 1.724 20 5 DDBDRO CCn1c([C@H](C)[N+](=O)[O-])nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001340122136 870904180 /nfs/dbraw/zinc/90/41/80/870904180.db2.gz BLRDDWXEHTWSRL-NSHDSACASA-N 1 0 310.402 1.603 20 5 DDBDRO O=C(N[C@@H]1CC12CC[NH2+]CC2)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001340298951 871017521 /nfs/dbraw/zinc/01/75/21/871017521.db2.gz JGWBLNOEUSPESK-QLFBSQMISA-N 1 0 315.373 1.957 20 5 DDBDRO Cc1c(CC(=O)N2CCC[C@H]([NH2+]CCO)C2)cccc1[N+](=O)[O-] ZINC001340864929 871397388 /nfs/dbraw/zinc/39/73/88/871397388.db2.gz GFZNGYZCNDZMDE-AWEZNQCLSA-N 1 0 321.377 1.019 20 5 DDBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C[C@]12CCC[C@H]1OCC2 ZINC001308169411 871478169 /nfs/dbraw/zinc/47/81/69/871478169.db2.gz XTZMDJUWXCUSHN-GDBMZVCRSA-N 1 0 321.377 1.648 20 5 DDBDRO CO[C@H](C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1CCOC1 ZINC001308723286 871521835 /nfs/dbraw/zinc/52/18/35/871521835.db2.gz PMDXOPIEXCNYEM-IINYFYTJSA-N 1 0 320.349 1.612 20 5 DDBDRO Cc1cc(OC(=O)C[C@@H](O)C[N+](C)(C)C)nc(C(F)(F)F)n1 ZINC001226677378 882581272 /nfs/dbraw/zinc/58/12/72/882581272.db2.gz IIKFRWKSSPKXEZ-SECBINFHSA-N 1 0 322.307 1.166 20 5 DDBDRO [NH3+]C[C@H]1CC2(CO1)CCN(C(=O)c1cccc([N+](=O)[O-])c1)CC2 ZINC001342614986 872294545 /nfs/dbraw/zinc/29/45/45/872294545.db2.gz LJUSLSNGKUUGRA-CQSZACIVSA-N 1 0 319.361 1.565 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N[C@]12CCC[C@H]1C[NH2+]C2 ZINC001345716211 873486211 /nfs/dbraw/zinc/48/62/11/873486211.db2.gz SSTIIMRVIIBHOJ-BONVTDFDSA-N 1 0 323.324 1.371 20 5 DDBDRO O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1C[C@H]1CCC[NH2+]C1 ZINC001345781237 873515255 /nfs/dbraw/zinc/51/52/55/873515255.db2.gz MUSOXPJXKCDVCI-LBPRGKRZSA-N 1 0 314.345 1.818 20 5 DDBDRO O=C(CO[C@H]1CCC[NH2+]C1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001346047756 873600432 /nfs/dbraw/zinc/60/04/32/873600432.db2.gz UKUAYIBSMOZZHS-HNNXBMFYSA-N 1 0 319.361 1.248 20 5 DDBDRO Cc1cccc(C(=O)N2CC[C@](O)(C[NH+](C)C)C2)c1[N+](=O)[O-] ZINC001347932673 874309545 /nfs/dbraw/zinc/30/95/45/874309545.db2.gz WJCMMXXAFVMBFA-HNNXBMFYSA-N 1 0 307.350 1.042 20 5 DDBDRO [NH3+]C1CCC(NC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001348562563 874634894 /nfs/dbraw/zinc/63/48/94/874634894.db2.gz QFHFLXHUOOOJMV-UHFFFAOYSA-N 1 0 304.350 1.890 20 5 DDBDRO [NH3+][C@H]1CC[C@H](C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001348776519 874772798 /nfs/dbraw/zinc/77/27/98/874772798.db2.gz MKSHKKPILNETQN-MQMHXKEQSA-N 1 0 303.362 1.997 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CCC2CCOCC2)c1 ZINC001348956544 874893963 /nfs/dbraw/zinc/89/39/63/874893963.db2.gz AWATTYYVASMBKK-HNNXBMFYSA-N 1 0 324.377 1.741 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC001353176095 877162036 /nfs/dbraw/zinc/16/20/36/877162036.db2.gz VJJPIHPWZBCZFJ-VIFPVBQESA-N 1 0 314.292 1.273 20 5 DDBDRO COc1cncc(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC001353248235 877212967 /nfs/dbraw/zinc/21/29/67/877212967.db2.gz SONAVRIHZPONGO-OAHLLOKOSA-N 1 0 303.318 1.822 20 5 DDBDRO CC1(C)[C@@H]([NH3+])C[C@@H]1NC(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC001353928320 877650545 /nfs/dbraw/zinc/65/05/45/877650545.db2.gz JARLYORJWATGCO-STQMWFEESA-N 1 0 309.341 1.909 20 5 DDBDRO O=C(CCc1cc(F)ccc1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001354486778 878013560 /nfs/dbraw/zinc/01/35/60/878013560.db2.gz BWYMSPNEPRARIO-BETUJISGSA-N 1 0 307.325 1.629 20 5 DDBDRO C[C@H](C[NH2+]CCNc1ccc([N+](=O)[O-])cc1)S(C)(=O)=O ZINC001356533276 879090676 /nfs/dbraw/zinc/09/06/76/879090676.db2.gz PUWBXTZAKHOIGE-SNVBAGLBSA-N 1 0 301.368 1.029 20 5 DDBDRO O=[N+]([O-])CC[NH2+]C1CCN(CCOc2ccc(F)cc2)CC1 ZINC001356610551 879129464 /nfs/dbraw/zinc/12/94/64/879129464.db2.gz SFJMYNPKXFHHJN-UHFFFAOYSA-N 1 0 311.357 1.535 20 5 DDBDRO CC[N@@H+]1C[C@H](C)N(c2nnc(C[N+](=O)[O-])n2CC(C)C)C[C@H]1C ZINC001358057078 880309635 /nfs/dbraw/zinc/30/96/35/880309635.db2.gz HAQALPNFXSKUHY-OLZOCXBDSA-N 1 0 324.429 1.630 20 5 DDBDRO COc1cc(C(=O)N2CC[C@@H](C[NH3+])[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC001358249046 880379736 /nfs/dbraw/zinc/37/97/36/880379736.db2.gz BSWOZCCFWSFYTB-JQWIXIFHSA-N 1 0 307.350 1.660 20 5 DDBDRO CC(C)c1nnsc1COC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001222907932 880741588 /nfs/dbraw/zinc/74/15/88/880741588.db2.gz MTVQCMQQRDQJNF-SNVBAGLBSA-N 1 0 302.420 1.162 20 5 DDBDRO COC(=O)c1ccc(CO[C@@H]2C[NH+]3CCC2CC3)c([N+](=O)[O-])c1 ZINC001223413994 880951287 /nfs/dbraw/zinc/95/12/87/880951287.db2.gz SGSRFAHVIAYXIX-OAHLLOKOSA-N 1 0 320.345 1.992 20 5 DDBDRO Cc1ccc2ccnc(OC(=O)C[C@@H](O)C[N+](C)(C)C)c2c1 ZINC001229507953 884020763 /nfs/dbraw/zinc/02/07/63/884020763.db2.gz WTOQYVSEAYNXMD-CQSZACIVSA-N 1 0 303.382 1.906 20 5 DDBDRO Cc1c(C)c(OC(=O)C[C@@H](O)C[N+](C)(C)C)c(C)c(C)c1O ZINC001231344369 885527582 /nfs/dbraw/zinc/52/75/82/885527582.db2.gz UKVMJVYLUDAKBX-CQSZACIVSA-O 1 0 310.414 1.988 20 5 DDBDRO CC(C)OCC(=O)NCCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001235109764 888415142 /nfs/dbraw/zinc/41/51/42/888415142.db2.gz OGPFECWTENAHSC-UHFFFAOYSA-N 1 0 323.393 1.958 20 5 DDBDRO CC(C)(C)OC(=O)[C@H](CCC[NH3+])N[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001246205870 892481372 /nfs/dbraw/zinc/48/13/72/892481372.db2.gz ABUBQKCAZWFEHW-UPJWGTAASA-N 1 0 315.414 1.471 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CC(C)(C[NH3+])C2)c1F ZINC001246586579 892713832 /nfs/dbraw/zinc/71/38/32/892713832.db2.gz BZJMLXAPEJEYPJ-JTQLQIEISA-N 1 0 311.357 1.954 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3CCOC[C@H](O)C3)CC2)cc1 ZINC001254473573 896456147 /nfs/dbraw/zinc/45/61/47/896456147.db2.gz GAKAXENKYYNZGN-MRXNPFEDSA-N 1 0 321.377 1.257 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1COCCC12OCCO2 ZINC001254538367 896494422 /nfs/dbraw/zinc/49/44/22/896494422.db2.gz TVXZEBGMOIIWEF-DOMZBBRYSA-N 1 0 322.361 1.647 20 5 DDBDRO NC(=O)c1cccc(C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001254578193 896510149 /nfs/dbraw/zinc/51/01/49/896510149.db2.gz KFXOJWYIYFKFCC-OAHLLOKOSA-N 1 0 311.341 1.951 20 5 DDBDRO COC(=O)N1CCC([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254585106 896516118 /nfs/dbraw/zinc/51/61/18/896516118.db2.gz KAKAATWQABGQNU-CQSZACIVSA-N 1 0 319.361 1.882 20 5 DDBDRO O=C1NCC[C@]12CCC[N@@H+]([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254598326 896525431 /nfs/dbraw/zinc/52/54/31/896525431.db2.gz WHRJMOOUTXTYJI-RDJZCZTQSA-N 1 0 315.373 1.664 20 5 DDBDRO C[N@H+]([C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)C1CCS(=O)(=O)CC1 ZINC001254605070 896528846 /nfs/dbraw/zinc/52/88/46/896528846.db2.gz ZWYGSDCWJWULIC-OAHLLOKOSA-N 1 0 324.402 1.571 20 5 DDBDRO CONC(=O)C1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC001262020783 899900633 /nfs/dbraw/zinc/90/06/33/899900633.db2.gz LRFOPXCNEWVGMP-UHFFFAOYSA-N 1 0 323.349 1.363 20 5 DDBDRO C[C@@H]1[NH2+]C[C@H](C)N(C(=O)COc2cccc([N+](=O)[O-])c2)[C@H]1C ZINC001263202032 900531086 /nfs/dbraw/zinc/53/10/86/900531086.db2.gz QGIIAOGPNKBQOE-SRVKXCTJSA-N 1 0 307.350 1.571 20 5 DDBDRO O=C(c1ccc([N+](=O)[O-])s1)N1CCC2(CC1)C[NH2+]CCO2 ZINC001263223900 900540924 /nfs/dbraw/zinc/54/09/24/900540924.db2.gz VWSGWBRDTTYPFK-UHFFFAOYSA-N 1 0 311.363 1.251 20 5 DDBDRO Cc1c(C(=O)N[C@@H]2CC[C@H]3C[N@@H+](C)C[C@@H]32)cccc1[N+](=O)[O-] ZINC001263980532 900854037 /nfs/dbraw/zinc/85/40/37/900854037.db2.gz YCHIWWFHESJOCV-FPMFFAJLSA-N 1 0 303.362 1.973 20 5 DDBDRO Cc1cc(NC(=O)[C@H]2C[N@H+]3CCN2C[C@@H]3C)cc([N+](=O)[O-])c1 ZINC001264010944 900871458 /nfs/dbraw/zinc/87/14/58/900871458.db2.gz QHRXEGHCDZKFKE-SMDDNHRTSA-N 1 0 304.350 1.230 20 5 DDBDRO COC(=O)c1cc(NC(=O)Cc2c[nH]cn2)cc([N+](=O)[O-])c1 ZINC001293928571 914778946 /nfs/dbraw/zinc/77/89/46/914778946.db2.gz HXHBNMKTGOKSKM-UHFFFAOYSA-N 1 0 304.262 1.286 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)n1 ZINC000248676001 282099012 /nfs/dbraw/zinc/09/90/12/282099012.db2.gz TWCQAYSQYPHLMQ-QWRGUYRKSA-N 1 0 309.370 1.366 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[N@H+]2CCCC[C@@H]2[C@H]2CCC[C@H]2O)n1 ZINC000451345393 231072699 /nfs/dbraw/zinc/07/26/99/231072699.db2.gz QROGHMBOQHWSSC-MGPQQGTHSA-N 1 0 308.382 1.807 20 5 DDBDRO CC[C@H]([NH2+]CCN1C(=O)N[C@H](C)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000459392957 529601551 /nfs/dbraw/zinc/60/15/51/529601551.db2.gz XAHILMXUBKWYFG-MFKMUULPSA-N 1 0 320.349 1.576 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCCSCC2)c1 ZINC000089984440 185274382 /nfs/dbraw/zinc/27/43/82/185274382.db2.gz CELYYVHIBGTSQA-ZDUSSCGKSA-N 1 0 312.391 1.773 20 5 DDBDRO COC(=O)[C@@H](C)C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C1CC1 ZINC000090525102 185300164 /nfs/dbraw/zinc/30/01/64/185300164.db2.gz PQIDZLJHTAFJDT-NSHDSACASA-N 1 0 323.349 1.030 20 5 DDBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000418321111 529935000 /nfs/dbraw/zinc/93/50/00/529935000.db2.gz RNXQLZIOPIZXPT-ZDUSSCGKSA-N 1 0 320.393 1.778 20 5 DDBDRO CC[N@@H+]1CCC[C@H]1CNc1nc(C)cc(C(=O)OC)c1[N+](=O)[O-] ZINC000286746685 219142418 /nfs/dbraw/zinc/14/24/18/219142418.db2.gz FKHDCRIYPOHZAQ-NSHDSACASA-N 1 0 322.365 1.981 20 5 DDBDRO C[NH2+][C@@H]1CCCN(C(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000417182483 530044134 /nfs/dbraw/zinc/04/41/34/530044134.db2.gz JFUIWSWRPQDTSS-GFCCVEGCSA-N 1 0 322.365 1.497 20 5 DDBDRO C[C@H]1C[C@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000330897377 232145310 /nfs/dbraw/zinc/14/53/10/232145310.db2.gz HLLLYKIXJRLJSP-NWDGAFQWSA-N 1 0 307.350 1.573 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC(C)(C)C[NH+](C)C ZINC000457904068 232149849 /nfs/dbraw/zinc/14/98/49/232149849.db2.gz RHCBDSUBSXYSSW-UHFFFAOYSA-N 1 0 324.381 1.743 20 5 DDBDRO CNc1ccc(C(=O)N(C)[C@@H]2C[NH+]3CCC2CC3)cc1[N+](=O)[O-] ZINC000324212068 282410150 /nfs/dbraw/zinc/41/01/50/282410150.db2.gz DEXREKKUKNPEKP-OAHLLOKOSA-N 1 0 318.377 1.803 20 5 DDBDRO Cc1ccc(S(=O)(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)cc1[N+](=O)[O-] ZINC000235667775 201918711 /nfs/dbraw/zinc/91/87/11/201918711.db2.gz URWFYEOWQBGWOY-WDEREUQCSA-N 1 0 313.379 1.322 20 5 DDBDRO C[C@H]([NH2+]CCCS(=O)(=O)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000341581490 282464910 /nfs/dbraw/zinc/46/49/10/282464910.db2.gz AMODLUHBMNQIKF-NSHDSACASA-N 1 0 315.395 1.527 20 5 DDBDRO C[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000342431190 282557874 /nfs/dbraw/zinc/55/78/74/282557874.db2.gz RJVICLHKDOJXOI-FJYXQWIHSA-N 1 0 310.375 1.631 20 5 DDBDRO CNC(=O)OC[C@H]1CCCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000286951623 219241967 /nfs/dbraw/zinc/24/19/67/219241967.db2.gz MRQHCLLDCDXYES-LLVKDONJSA-N 1 0 311.342 1.002 20 5 DDBDRO Cc1nn(C)c(NC[C@@H]2CCC[C@@H]2[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000360230824 306978198 /nfs/dbraw/zinc/97/81/98/306978198.db2.gz REHMXRSNRBHCPP-STQMWFEESA-N 1 0 323.397 1.550 20 5 DDBDRO C[C@@H](O)C1CC[NH+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000181869148 186212829 /nfs/dbraw/zinc/21/28/29/186212829.db2.gz NQFMQVSZCXLGJF-TZMCWYRMSA-N 1 0 324.377 1.427 20 5 DDBDRO O=C([C@@H]1CCCC[NH2+]1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000194281188 186276256 /nfs/dbraw/zinc/27/62/56/186276256.db2.gz PYTOSZMIMRUJBG-HNNXBMFYSA-N 1 0 318.377 1.386 20 5 DDBDRO CC(C)(C)[NH+]1CCC(NC(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000194284516 186276628 /nfs/dbraw/zinc/27/66/28/186276628.db2.gz BORWNULJWWSQFP-UHFFFAOYSA-N 1 0 309.370 1.170 20 5 DDBDRO O=C(C[NH2+]CC1CC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000194283252 186276807 /nfs/dbraw/zinc/27/68/07/186276807.db2.gz DGXWOYNGBHKDSS-UHFFFAOYSA-N 1 0 318.377 1.243 20 5 DDBDRO CC(C)[NH2+]C1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000171692508 197967960 /nfs/dbraw/zinc/96/79/60/197967960.db2.gz WDWHOGCZQZTVSZ-UHFFFAOYSA-N 1 0 320.393 1.996 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000617352617 363067234 /nfs/dbraw/zinc/06/72/34/363067234.db2.gz DPBMKORTCROPSF-NSHDSACASA-N 1 0 307.350 1.675 20 5 DDBDRO CCOC(C)(C)C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000564873299 304021952 /nfs/dbraw/zinc/02/19/52/304021952.db2.gz MJJMYGNLIWRJDA-CYBMUJFWSA-N 1 0 312.366 1.739 20 5 DDBDRO C[C@@H](CC[NH+](C)C)NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000272400629 209799788 /nfs/dbraw/zinc/79/97/88/209799788.db2.gz YAKBWXHHQLAEGG-VIFPVBQESA-N 1 0 309.322 1.394 20 5 DDBDRO CN1CC[NH+](CCCCNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000041362543 352304745 /nfs/dbraw/zinc/30/47/45/352304745.db2.gz IEERQKXKVQKNBH-UHFFFAOYSA-N 1 0 320.393 1.352 20 5 DDBDRO C[C@@H]1C[NH+](CCCNC(=O)c2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000047432966 352495427 /nfs/dbraw/zinc/49/54/27/352495427.db2.gz YZHZBALFGUFOST-CHWSQXEVSA-N 1 0 321.377 1.824 20 5 DDBDRO Cc1ccccc1C[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000053968489 352674370 /nfs/dbraw/zinc/67/43/70/352674370.db2.gz ABDUDTMYONNUPN-HZPDHXFCSA-N 1 0 317.389 1.741 20 5 DDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000173181315 198193120 /nfs/dbraw/zinc/19/31/20/198193120.db2.gz JCAYCOCRPXDHAY-ZDUSSCGKSA-N 1 0 303.362 1.738 20 5 DDBDRO C[C@H](CC[NH+](C)C)NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000272400626 209798585 /nfs/dbraw/zinc/79/85/85/209798585.db2.gz YAKBWXHHQLAEGG-SECBINFHSA-N 1 0 309.322 1.394 20 5 DDBDRO COc1ccc(C(=O)N2CCC[C@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000068342228 353105567 /nfs/dbraw/zinc/10/55/67/353105567.db2.gz OOMRBIZTDRQLEB-LBPRGKRZSA-N 1 0 307.350 1.770 20 5 DDBDRO CC(C)C[C@@H](C[NH+](C)C)NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000068224520 353097543 /nfs/dbraw/zinc/09/75/43/353097543.db2.gz JFXWZJXUJFQGCM-LBPRGKRZSA-N 1 0 311.386 1.274 20 5 DDBDRO C[NH+](C)C1(CNc2ccc(C(N)=O)cc2[N+](=O)[O-])CCCC1 ZINC000075469526 353364304 /nfs/dbraw/zinc/36/43/04/353364304.db2.gz RCLTZTMRHSHJPE-UHFFFAOYSA-N 1 0 306.366 1.980 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC[C@@H](c3ccccc3)C2)c1 ZINC000075675350 353375436 /nfs/dbraw/zinc/37/54/36/353375436.db2.gz LCKZXHWNLNPITC-ZBFHGGJFSA-N 1 0 316.361 1.642 20 5 DDBDRO CCc1n[nH]c(C(=O)N2CC[C@@H](C[NH+](CC)CC)C2)c1[N+](=O)[O-] ZINC000174759723 198380540 /nfs/dbraw/zinc/38/05/40/198380540.db2.gz SBWHBDBACCGKJH-NSHDSACASA-N 1 0 323.397 1.684 20 5 DDBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000077555748 353475689 /nfs/dbraw/zinc/47/56/89/353475689.db2.gz MPUMEBHXDNTISZ-ZDUSSCGKSA-N 1 0 321.377 1.964 20 5 DDBDRO C[C@@H](O)[C@@H]1CCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000089930602 353783530 /nfs/dbraw/zinc/78/35/30/353783530.db2.gz XHYRNOWWRRLCJY-ZYHUDNBSSA-N 1 0 307.350 1.287 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[NH2+]C2CCN(c3nccs3)CC2)c1 ZINC000090539648 353794567 /nfs/dbraw/zinc/79/45/67/353794567.db2.gz JOAUEUFQPPTGLV-UHFFFAOYSA-N 1 0 322.394 1.506 20 5 DDBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)Nc3ccncc3[N+](=O)[O-])C[C@H]21 ZINC000332241420 234694322 /nfs/dbraw/zinc/69/43/22/234694322.db2.gz RTRZEAULTXARGA-HBNTYKKESA-N 1 0 305.338 1.003 20 5 DDBDRO C[C@@H]1C[C@@H]([NH3+])CCN1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000237503858 354343077 /nfs/dbraw/zinc/34/30/77/354343077.db2.gz JEKPYWUZNMERLC-PWSUYJOCSA-N 1 0 313.379 1.236 20 5 DDBDRO O=C(Cc1ccccc1[N+](=O)[O-])N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000314375106 354484682 /nfs/dbraw/zinc/48/46/82/354484682.db2.gz SHKSMTCWQRAPAY-ZDUSSCGKSA-N 1 0 303.362 1.928 20 5 DDBDRO CN1CC[N@H+](C)C[C@@H]1CNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000320457843 354527123 /nfs/dbraw/zinc/52/71/23/354527123.db2.gz OTZUZJYNXFUXPE-LBPRGKRZSA-N 1 0 315.377 1.801 20 5 DDBDRO CO[C@H]1CCN(C(=O)c2cc(C)ccc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000316950484 354507210 /nfs/dbraw/zinc/50/72/10/354507210.db2.gz CLJFZAZDXPWAHO-RYUDHWBXSA-N 1 0 307.350 1.482 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1Cn1cc([C@@H]2CCC[NH2+]C2)nn1 ZINC000404836766 354676498 /nfs/dbraw/zinc/67/64/98/354676498.db2.gz JGLRSZPYAXYANZ-LLVKDONJSA-N 1 0 317.349 1.710 20 5 DDBDRO CC(C)[C@H]1CN(c2cc(N)c([N+](=O)[O-])c(CO)c2)CC[N@@H+]1C ZINC000588032357 354896659 /nfs/dbraw/zinc/89/66/59/354896659.db2.gz WVWFPCXPAMNXHB-CQSZACIVSA-N 1 0 308.382 1.446 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000588863025 354944400 /nfs/dbraw/zinc/94/44/00/354944400.db2.gz NYGMJSNDNLUBLN-ZIAGYGMSSA-N 1 0 319.361 1.184 20 5 DDBDRO C[NH+](C)C[C@H](CO)NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000588863808 354944497 /nfs/dbraw/zinc/94/44/97/354944497.db2.gz UNLFOROYELNLCY-GFCCVEGCSA-N 1 0 323.393 1.545 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)C[C@@H]2CCC[C@H]2O)c1 ZINC000589501231 354997222 /nfs/dbraw/zinc/99/72/22/354997222.db2.gz GMMBCECPNNLSRF-SWLSCSKDSA-N 1 0 322.361 1.974 20 5 DDBDRO C[N@@H+]1C[C@@H]2CCN(C(=O)COc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000590044136 355042597 /nfs/dbraw/zinc/04/25/97/355042597.db2.gz HGHYQLITGDWLKP-WCQYABFASA-N 1 0 305.334 1.136 20 5 DDBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000590590222 355122332 /nfs/dbraw/zinc/12/23/32/355122332.db2.gz WHCUEBOGGLBGOD-QWRGUYRKSA-N 1 0 313.379 1.308 20 5 DDBDRO CCOc1cc(C[N@H+](C[C@@H](C)O)[C@@H](C)CO)ccc1[N+](=O)[O-] ZINC000276972768 213210991 /nfs/dbraw/zinc/21/09/91/213210991.db2.gz XFELUBQVIIKZMC-NWDGAFQWSA-N 1 0 312.366 1.557 20 5 DDBDRO C[N@@H+]1C[C@@H]2CCN(C(=O)CCOc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000590446885 355099507 /nfs/dbraw/zinc/09/95/07/355099507.db2.gz WVSFCDSZUZUFFU-GXTWGEPZSA-N 1 0 319.361 1.526 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000591270575 355274551 /nfs/dbraw/zinc/27/45/51/355274551.db2.gz QWAFSZWIEZYHEI-ZWNOBZJWSA-N 1 0 320.349 1.819 20 5 DDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000591358642 355299586 /nfs/dbraw/zinc/29/95/86/355299586.db2.gz PUPYGYIFWRORTE-ZDUSSCGKSA-N 1 0 306.366 1.878 20 5 DDBDRO O=[N+]([O-])c1cc2c(cc1CN[C@H]1CCC[NH2+]CC1)OCCO2 ZINC000591278574 355277141 /nfs/dbraw/zinc/27/71/41/355277141.db2.gz SIVGQOYCCJDJQZ-LBPRGKRZSA-N 1 0 307.350 1.598 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CCn1cccc1 ZINC000591745487 355376146 /nfs/dbraw/zinc/37/61/46/355376146.db2.gz CIZOBULGDMDFAS-CYBMUJFWSA-N 1 0 305.334 1.426 20 5 DDBDRO Cc1ncc(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])o1 ZINC000591770735 355381717 /nfs/dbraw/zinc/38/17/17/355381717.db2.gz PQMQSRYQZBSJNU-LLVKDONJSA-N 1 0 307.306 1.421 20 5 DDBDRO COc1ccccc1[C@H]([NH3+])CNC(=O)c1cc([N+](=O)[O-])cn1C ZINC000591681019 355361141 /nfs/dbraw/zinc/36/11/41/355361141.db2.gz MMBVBQXTPMDYNY-GFCCVEGCSA-N 1 0 318.333 1.372 20 5 DDBDRO COC(=O)c1cc(C(=O)N[C@H]2CCC[NH2+]CC2)cc([N+](=O)[O-])c1 ZINC000592331212 355560970 /nfs/dbraw/zinc/56/09/70/355560970.db2.gz YAFNFWCFZDLKNG-LBPRGKRZSA-N 1 0 321.333 1.253 20 5 DDBDRO COc1cc(OCC(=O)N2CCC(C)([NH3+])CC2)ccc1[N+](=O)[O-] ZINC000592331493 355561161 /nfs/dbraw/zinc/56/11/61/355561161.db2.gz RCXGCNUUBZIURF-UHFFFAOYSA-N 1 0 323.349 1.322 20 5 DDBDRO CNc1ccc(C(=O)N[C@H]2CC23CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000592337325 355561649 /nfs/dbraw/zinc/56/16/49/355561649.db2.gz FEWZPLDADXDLCV-ZDUSSCGKSA-N 1 0 304.350 1.508 20 5 DDBDRO CC[C@H]1CN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC[C@H]1[NH3+] ZINC000592330547 355560390 /nfs/dbraw/zinc/56/03/90/355560390.db2.gz BZQYOKKRKFFVJL-JOYOIKCWSA-N 1 0 317.349 1.671 20 5 DDBDRO C[C@H]1CC2(C[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CCOCC2 ZINC000592182738 355527882 /nfs/dbraw/zinc/52/78/82/355527882.db2.gz QZAUSFSTTUEVCZ-GXTWGEPZSA-N 1 0 324.381 1.043 20 5 DDBDRO C[C@@H]([NH3+])[C@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CCO1 ZINC000592475720 355593496 /nfs/dbraw/zinc/59/34/96/355593496.db2.gz UUGGSJWZELKKQA-NOZJJQNGSA-N 1 0 306.322 1.284 20 5 DDBDRO Cc1nn(CCC(=O)N2CCC3(CC[NH2+]3)CC2)c(C)c1[N+](=O)[O-] ZINC000592346567 355563487 /nfs/dbraw/zinc/56/34/87/355563487.db2.gz RKQQKEZVBHBXMX-UHFFFAOYSA-N 1 0 321.381 1.153 20 5 DDBDRO O=[N+]([O-])c1cc2c(c(-c3nc([C@H]4CCC[NH2+]4)no3)c1)OCCO2 ZINC000592356663 355565978 /nfs/dbraw/zinc/56/59/78/355565978.db2.gz CNPYKBYFRXLKSQ-SNVBAGLBSA-N 1 0 318.289 1.841 20 5 DDBDRO COC(=O)c1cc(-c2nc([C@@H]3CCC[NH2+]3)no2)cc([N+](=O)[O-])c1 ZINC000592357318 355566077 /nfs/dbraw/zinc/56/60/77/355566077.db2.gz WCTTTXKFWLDUIF-NSHDSACASA-N 1 0 318.289 1.856 20 5 DDBDRO CC[C@H]1CN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC[C@@H]1[NH3+] ZINC000592545860 355623274 /nfs/dbraw/zinc/62/32/74/355623274.db2.gz ZVPXBRODLSDHOH-ONGXEEELSA-N 1 0 321.333 1.523 20 5 DDBDRO O=C(COc1ccccc1[N+](=O)[O-])N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000592568922 355632667 /nfs/dbraw/zinc/63/26/67/355632667.db2.gz QPWGZGKNNNEMML-GFCCVEGCSA-N 1 0 319.361 1.765 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(CN2C[C@@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000593018894 355771452 /nfs/dbraw/zinc/77/14/52/355771452.db2.gz BRLLJQBFZKGJGX-VXGBXAGGSA-N 1 0 321.377 1.906 20 5 DDBDRO CN(C(=O)Cc1ccc(F)cc1[N+](=O)[O-])[C@H]1CC[N@@H+](C2CC2)C1 ZINC000593056960 355782675 /nfs/dbraw/zinc/78/26/75/355782675.db2.gz BYHRPGHXFXGLCU-AWEZNQCLSA-N 1 0 321.352 1.972 20 5 DDBDRO NC(=O)[C@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000593723946 355977404 /nfs/dbraw/zinc/97/74/04/355977404.db2.gz VOIGFRWNSKYNMR-KXNHARMFSA-N 1 0 307.354 1.129 20 5 DDBDRO O=[N+]([O-])c1ccccc1/C=C\CN1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000593679840 355964972 /nfs/dbraw/zinc/96/49/72/355964972.db2.gz MWJKRRGYKLRDAX-UYWPIULCSA-N 1 0 303.362 1.359 20 5 DDBDRO CN(CC[NH+]1CCCCC1)C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000593883411 356039832 /nfs/dbraw/zinc/03/98/32/356039832.db2.gz MUFFLBUCCABUIV-UHFFFAOYSA-N 1 0 320.393 1.951 20 5 DDBDRO Cc1nn(C)c(C(=O)N(C)CC[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000593884616 356040608 /nfs/dbraw/zinc/04/06/08/356040608.db2.gz UDRSRXWHOAUOHI-UHFFFAOYSA-N 1 0 309.370 1.195 20 5 DDBDRO COc1ccc(CNC(=O)[C@H]2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000593903794 356050651 /nfs/dbraw/zinc/05/06/51/356050651.db2.gz NYTINTOMDLDKIT-LBPRGKRZSA-N 1 0 307.350 1.609 20 5 DDBDRO O=[N+]([O-])c1ncccc1N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000594600740 356260747 /nfs/dbraw/zinc/26/07/47/356260747.db2.gz VEYMOTJQLKICNT-CYBMUJFWSA-N 1 0 306.366 1.681 20 5 DDBDRO CO[C@](C)(CO)C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000594514376 356241695 /nfs/dbraw/zinc/24/16/95/356241695.db2.gz VXAMOHBQAUQGKS-ZBFHGGJFSA-N 1 0 308.378 1.903 20 5 DDBDRO COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000594919637 356354132 /nfs/dbraw/zinc/35/41/32/356354132.db2.gz IEIVOAYASKSNQZ-JIMOISOXSA-N 1 0 308.334 1.891 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@H](O)C[NH+]1CCCC1 ZINC000595018593 356373156 /nfs/dbraw/zinc/37/31/56/356373156.db2.gz SPZVLFOCFVUDGY-OCCSQVGLSA-N 1 0 323.393 1.711 20 5 DDBDRO CC(C)[C@H]([NH3+])CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000595120629 356385813 /nfs/dbraw/zinc/38/58/13/356385813.db2.gz JORDPAJQTRLCAV-GFCCVEGCSA-N 1 0 301.368 1.247 20 5 DDBDRO Cc1noc(CN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c1[N+](=O)[O-] ZINC000595389816 356475118 /nfs/dbraw/zinc/47/51/18/356475118.db2.gz PWTQEOXNWIPCEY-RWMBFGLXSA-N 1 0 324.381 1.575 20 5 DDBDRO Cc1noc(CN2CCC(CO)([NH2+]CC3CC3)CC2)c1[N+](=O)[O-] ZINC000595523012 356532908 /nfs/dbraw/zinc/53/29/08/356532908.db2.gz FUTIVBMMFMHSPQ-UHFFFAOYSA-N 1 0 324.381 1.218 20 5 DDBDRO O=C(CC[NH2+][C@H]1C[C@H](O)C12CCC2)Nc1ccccc1[N+](=O)[O-] ZINC000595782189 356650339 /nfs/dbraw/zinc/65/03/39/356650339.db2.gz OFFMEACQSHVLOD-KBPBESRZSA-N 1 0 319.361 1.817 20 5 DDBDRO C[NH2+]C[C@@H]1CCCN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000237077626 202145188 /nfs/dbraw/zinc/14/51/88/202145188.db2.gz NRKHARVIXDPHGI-LBPRGKRZSA-N 1 0 306.366 1.607 20 5 DDBDRO COC(=O)[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)[C@@H]1C ZINC000347202613 283207088 /nfs/dbraw/zinc/20/70/88/283207088.db2.gz KTMUWLZPDKJMIW-PWSUYJOCSA-N 1 0 308.334 1.987 20 5 DDBDRO CN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H](C[NH3+])C(F)(F)F ZINC000595910634 356701638 /nfs/dbraw/zinc/70/16/38/356701638.db2.gz WMICNXRQDXOZOJ-JTQLQIEISA-N 1 0 320.271 1.015 20 5 DDBDRO COc1ccc(CN(C)[C@H](C[NH3+])C(F)(F)F)cc1[N+](=O)[O-] ZINC000595909855 356701724 /nfs/dbraw/zinc/70/17/24/356701724.db2.gz UBQCDYVXFSNZJJ-LLVKDONJSA-N 1 0 307.272 1.925 20 5 DDBDRO CC(C)[C@H]([NH3+])CCNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000595950786 356720040 /nfs/dbraw/zinc/72/00/40/356720040.db2.gz MIFVSTXXCZNQNG-GFCCVEGCSA-N 1 0 323.349 1.469 20 5 DDBDRO Cc1n[nH]c(C(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)c1[N+](=O)[O-] ZINC000595935840 356711765 /nfs/dbraw/zinc/71/17/65/356711765.db2.gz WBIMUMFRVSLZOU-LBPRGKRZSA-N 1 0 321.381 1.478 20 5 DDBDRO [NH3+]C[C@H]1OCC[C@H]1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000595938558 356713706 /nfs/dbraw/zinc/71/37/06/356713706.db2.gz YQMPHEUEPUICOK-HUUCEWRRSA-N 1 0 321.377 1.398 20 5 DDBDRO O=C(NCC12CC(C1)C[NH2+]2)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000595946386 356717264 /nfs/dbraw/zinc/71/72/64/356717264.db2.gz CPGDUEYDNLXKLA-UHFFFAOYSA-N 1 0 316.361 1.651 20 5 DDBDRO [NH3+][C@H]1CCCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2F)C1 ZINC000596016291 356747262 /nfs/dbraw/zinc/74/72/62/356747262.db2.gz PCUFDLBURZLJLH-NSHDSACASA-N 1 0 324.356 1.498 20 5 DDBDRO COc1ccc(CNC(=O)NCC[C@@H](C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000596179820 356803890 /nfs/dbraw/zinc/80/38/90/356803890.db2.gz UENDZDJAVANGCI-LLVKDONJSA-N 1 0 324.381 1.743 20 5 DDBDRO COC(=O)c1cc(NC(=O)C2CC[NH2+]CC2)cc([N+](=O)[O-])c1 ZINC000237184793 202180517 /nfs/dbraw/zinc/18/05/17/202180517.db2.gz KCSJQUITCONOAN-UHFFFAOYSA-N 1 0 307.306 1.320 20 5 DDBDRO CCOC(=O)c1ccnc(N(C)CC2C[NH+](C)C2)c1[N+](=O)[O-] ZINC000596453325 356884838 /nfs/dbraw/zinc/88/48/38/356884838.db2.gz JFNXLUZRZMOMRD-UHFFFAOYSA-N 1 0 308.338 1.164 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000596269396 356838983 /nfs/dbraw/zinc/83/89/83/356838983.db2.gz SSNQBQNWZDMISK-UHFFFAOYSA-N 1 0 309.370 1.019 20 5 DDBDRO C[NH+](C)CCC[C@H]1CN(c2ncc([N+](=O)[O-])s2)CCO1 ZINC000596564976 356918745 /nfs/dbraw/zinc/91/87/45/356918745.db2.gz FDQJTTNNLBGOSU-JTQLQIEISA-N 1 0 300.384 1.598 20 5 DDBDRO COc1cc(OCC(=O)NC2CCC([NH3+])CC2)ccc1[N+](=O)[O-] ZINC000237226161 202196054 /nfs/dbraw/zinc/19/60/54/202196054.db2.gz VCJSYGWPLPRKHU-UHFFFAOYSA-N 1 0 323.349 1.368 20 5 DDBDRO C[C@@H](C(=O)N1CCC2(C[NH+](C)C2)C1)c1cccc([N+](=O)[O-])c1 ZINC000597572845 357233996 /nfs/dbraw/zinc/23/39/96/357233996.db2.gz UJPOLEODOIMVBU-GFCCVEGCSA-N 1 0 303.362 1.862 20 5 DDBDRO C[NH+](C)C1(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000597659393 357273026 /nfs/dbraw/zinc/27/30/26/357273026.db2.gz OQUCPTTYRPCOBG-UHFFFAOYSA-N 1 0 316.361 1.829 20 5 DDBDRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000597941862 357391868 /nfs/dbraw/zinc/39/18/68/357391868.db2.gz FGPMBZLMXWOLEN-NSHDSACASA-N 1 0 312.370 1.190 20 5 DDBDRO Cc1c(C(=O)N2CC[C@@H](C[NH3+])C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000178562358 198889244 /nfs/dbraw/zinc/88/92/44/198889244.db2.gz RDYKRKPAIGWLNH-JTQLQIEISA-N 1 0 322.321 1.541 20 5 DDBDRO CCC[N@@H+]1CC[C@H](NC(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000598341580 357544492 /nfs/dbraw/zinc/54/44/92/357544492.db2.gz CVABFNGSDJPNQT-LBPRGKRZSA-N 1 0 306.366 1.607 20 5 DDBDRO COC(=O)c1cnc(NCC2(C)CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000276809687 213107888 /nfs/dbraw/zinc/10/78/88/213107888.db2.gz RZQUVWAJKYTJGD-UHFFFAOYSA-N 1 0 322.365 1.920 20 5 DDBDRO COC(=O)c1ccnc(N[C@@H]2CC[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000598589198 357642838 /nfs/dbraw/zinc/64/28/38/357642838.db2.gz RSJRFBXIRZPTCH-SECBINFHSA-N 1 0 306.322 1.425 20 5 DDBDRO CCN(CCC[NH+](C)C)c1nccc(C(=O)OC)c1[N+](=O)[O-] ZINC000598617344 357655642 /nfs/dbraw/zinc/65/56/42/357655642.db2.gz IZWWTHGVNDNHEN-UHFFFAOYSA-N 1 0 310.354 1.554 20 5 DDBDRO COc1cccc(C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)c1[N+](=O)[O-] ZINC000598668469 357678512 /nfs/dbraw/zinc/67/85/12/357678512.db2.gz UALXRDCEVQPVBW-BONVTDFDSA-N 1 0 305.334 1.557 20 5 DDBDRO C[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1CO ZINC000598652066 357671838 /nfs/dbraw/zinc/67/18/38/357671838.db2.gz WTISVTANRRKVJE-STQMWFEESA-N 1 0 321.377 1.874 20 5 DDBDRO CN1CC[N@H+](C)C[C@@H]1CNc1ccc2cnccc2c1[N+](=O)[O-] ZINC000599042202 357800669 /nfs/dbraw/zinc/80/06/69/357800669.db2.gz FNRXPZJTTQZTDX-ZDUSSCGKSA-N 1 0 315.377 1.801 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCCC(F)(F)CC2)c1 ZINC000599552235 357971216 /nfs/dbraw/zinc/97/12/16/357971216.db2.gz YRRQYGYJTZSDGV-LLVKDONJSA-N 1 0 304.297 1.273 20 5 DDBDRO C[C@H]1CC[C@@H](NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])C[NH2+]1 ZINC000599932584 358084497 /nfs/dbraw/zinc/08/44/97/358084497.db2.gz BOKTVVIDDGJDLT-GXTWGEPZSA-N 1 0 320.393 1.919 20 5 DDBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@H]1COCCN1)C1CC1 ZINC000600710812 358290980 /nfs/dbraw/zinc/29/09/80/358290980.db2.gz POEVIWSHDQJSCQ-LSDHHAIUSA-N 1 0 305.378 1.494 20 5 DDBDRO Cn1ccnc1[C@H](N[C@@H]1CC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000600714184 358292163 /nfs/dbraw/zinc/29/21/63/358292163.db2.gz QGOWJRUUYICXFR-TZMCWYRMSA-N 1 0 301.350 1.369 20 5 DDBDRO C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1(C(N)=O)CCCC1 ZINC000180700075 199199081 /nfs/dbraw/zinc/19/90/81/199199081.db2.gz GEMOSGFIZZIGHO-CYBMUJFWSA-N 1 0 307.350 1.358 20 5 DDBDRO CC1CC[NH+](CCNC(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000180930107 199229165 /nfs/dbraw/zinc/22/91/65/199229165.db2.gz NHJMKOVKVANKSJ-UHFFFAOYSA-N 1 0 306.366 1.639 20 5 DDBDRO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NCC1([NH+](C)C)CC1 ZINC000601175874 358434241 /nfs/dbraw/zinc/43/42/41/358434241.db2.gz RDZAHCDZMNWOPR-UHFFFAOYSA-N 1 0 307.276 1.853 20 5 DDBDRO CN1CC[C@@H]([NH+]2CCC(Nc3ccc([N+](=O)[O-])cn3)CC2)C1=O ZINC000601177052 358435790 /nfs/dbraw/zinc/43/57/90/358435790.db2.gz QDCVHDOVXYPZGD-CYBMUJFWSA-N 1 0 319.365 1.097 20 5 DDBDRO Cc1cc(N2CCC[C@](O)(C[NH+](C)C)C2)c(F)cc1[N+](=O)[O-] ZINC000601189743 358439896 /nfs/dbraw/zinc/43/98/96/358439896.db2.gz UJLUEJCHWMGNPS-HNNXBMFYSA-N 1 0 311.357 1.935 20 5 DDBDRO C[NH+](C)[C@H]1C[C@@H](NC(=O)COc2ccccc2[N+](=O)[O-])C1(C)C ZINC000602172148 358862294 /nfs/dbraw/zinc/86/22/94/358862294.db2.gz NRNKPLAFDNEFKC-KGLIPLIRSA-N 1 0 321.377 1.819 20 5 DDBDRO CC(C)[C@@H]1C[NH2+]CCN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000602529609 359029093 /nfs/dbraw/zinc/02/90/93/359029093.db2.gz QKDXPEIOPLVVMM-AWEZNQCLSA-N 1 0 306.366 1.463 20 5 DDBDRO CN1CC[N@H+](C)C[C@@H]1CNCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602546373 359038550 /nfs/dbraw/zinc/03/85/50/359038550.db2.gz QZWBHDOAZRWIMO-LBPRGKRZSA-N 1 0 319.365 1.071 20 5 DDBDRO C[C@]1(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C[NH2+]CCO1 ZINC000602452270 358986483 /nfs/dbraw/zinc/98/64/83/358986483.db2.gz IBCMWMQHPDQLHP-MRXNPFEDSA-N 1 0 321.377 1.412 20 5 DDBDRO COc1cc(C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)c([N+](=O)[O-])cc1OC ZINC000602593518 359060002 /nfs/dbraw/zinc/06/00/02/359060002.db2.gz ZGNQDHGDHWBYIH-AOOOYVTPSA-N 1 0 321.333 1.188 20 5 DDBDRO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000602591790 359060303 /nfs/dbraw/zinc/06/03/03/359060303.db2.gz MQBKHQZGKKMQKK-BETUJISGSA-N 1 0 316.361 1.746 20 5 DDBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2CCn1c(C)ncc1[N+](=O)[O-] ZINC000602777232 359183227 /nfs/dbraw/zinc/18/32/27/359183227.db2.gz CIZGGEMMSJMEAD-KGLIPLIRSA-N 1 0 307.398 1.658 20 5 DDBDRO Cn1cc(CN2CCC[C@@H]([NH+]3CCOCC3)CC2)c([N+](=O)[O-])n1 ZINC000602707132 359137224 /nfs/dbraw/zinc/13/72/24/359137224.db2.gz CPDGQFNVZLCKQI-CQSZACIVSA-N 1 0 323.397 1.015 20 5 DDBDRO Cn1cc(CN2CCC(C)([NH+]3CCOCC3)CC2)c([N+](=O)[O-])n1 ZINC000602726271 359151824 /nfs/dbraw/zinc/15/18/24/359151824.db2.gz PEACUPJCOTXLGG-UHFFFAOYSA-N 1 0 323.397 1.015 20 5 DDBDRO Cc1ccc(C[NH+]2C[C@]3(C)C(=O)NC(=O)[C@@]3(C)C2)cc1[N+](=O)[O-] ZINC000602729681 359153459 /nfs/dbraw/zinc/15/34/59/359153459.db2.gz AZVKLXPMRINQKM-HZPDHXFCSA-N 1 0 317.345 1.388 20 5 DDBDRO CO[C@H](C[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000602733101 359155350 /nfs/dbraw/zinc/15/53/50/359155350.db2.gz TUGOXEQDIPTDNH-DAXOMENPSA-N 1 0 324.377 1.443 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000602841126 359230339 /nfs/dbraw/zinc/23/03/39/359230339.db2.gz MZGUCXZOGXSYFV-MRVWCRGKSA-N 1 0 306.366 1.647 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](CO)c1cccc(F)c1 ZINC000602805303 359203557 /nfs/dbraw/zinc/20/35/57/359203557.db2.gz JHRLJROMWZQMFQ-ZDUSSCGKSA-N 1 0 308.313 1.562 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1Cn1cc(C[NH2+]C2CC2)nn1 ZINC000603243032 359508774 /nfs/dbraw/zinc/50/87/74/359508774.db2.gz HLSDDDKCYRDAFN-UHFFFAOYSA-N 1 0 303.322 1.495 20 5 DDBDRO [NH3+]CC[C@H](NC(=O)CSc1ccc([N+](=O)[O-])cc1)C(F)F ZINC000449608144 283444022 /nfs/dbraw/zinc/44/40/22/283444022.db2.gz FJVQQXHAVXPYFB-JTQLQIEISA-N 1 0 319.333 1.786 20 5 DDBDRO Cn1cc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c([N+](=O)[O-])n1 ZINC000603431403 359636652 /nfs/dbraw/zinc/63/66/52/359636652.db2.gz WTRWYUQXPPVKMW-YUTCNCBUSA-N 1 0 323.397 1.047 20 5 DDBDRO CNC(=O)[C@]1(C)CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000281062394 216053583 /nfs/dbraw/zinc/05/35/83/216053583.db2.gz KDJQBMTXJZSTDR-OAHLLOKOSA-N 1 0 307.350 1.432 20 5 DDBDRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000237529666 202272580 /nfs/dbraw/zinc/27/25/80/202272580.db2.gz PYIISFVIGGMCLO-DTWKUNHWSA-N 1 0 303.322 1.294 20 5 DDBDRO C[NH+](C)CCn1cc(NC(=O)Cc2ccccc2[N+](=O)[O-])cn1 ZINC000604511192 359758855 /nfs/dbraw/zinc/75/88/55/359758855.db2.gz CFNPRXYBUHYEMI-UHFFFAOYSA-N 1 0 317.349 1.534 20 5 DDBDRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000237605998 202301013 /nfs/dbraw/zinc/30/10/13/202301013.db2.gz VQQRLVNQKJUBIY-WDEREUQCSA-N 1 0 309.391 1.896 20 5 DDBDRO C[C@@H](NC(=O)c1[nH]nc2c1C[NH2+]CC2)c1cccc([N+](=O)[O-])c1 ZINC000188359324 200234128 /nfs/dbraw/zinc/23/41/28/200234128.db2.gz MMCZXPHWAHTCPZ-SECBINFHSA-N 1 0 315.333 1.455 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H]1CNc2ccnn2C1 ZINC000609406849 360305362 /nfs/dbraw/zinc/30/53/62/360305362.db2.gz WVHQLMBTGDNAOH-NSHDSACASA-N 1 0 317.349 1.631 20 5 DDBDRO C[N@@H+]1CCCN(CCCNC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000609619849 360335990 /nfs/dbraw/zinc/33/59/90/360335990.db2.gz MOZDGTWNYXXADL-UHFFFAOYSA-N 1 0 320.393 1.352 20 5 DDBDRO CCc1n[nH]c(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)c1[N+](=O)[O-] ZINC000609479007 360311691 /nfs/dbraw/zinc/31/16/91/360311691.db2.gz HJXOLPJPVPIJDT-SNVBAGLBSA-N 1 0 307.354 1.094 20 5 DDBDRO CN(CCCC[NH+](C)C)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000610114797 360382982 /nfs/dbraw/zinc/38/29/82/360382982.db2.gz CJJRVLQGDWEQRO-UHFFFAOYSA-N 1 0 309.366 1.774 20 5 DDBDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1cc([N+](=O)[O-])cn1C ZINC000610244742 360396701 /nfs/dbraw/zinc/39/67/01/360396701.db2.gz NBXOUQUBMOAVHP-GFCCVEGCSA-N 1 0 308.382 1.880 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC(=O)N1CCN(C)CC1 ZINC000610805643 360540870 /nfs/dbraw/zinc/54/08/70/360540870.db2.gz UPJUQNHYDGRIHS-CYBMUJFWSA-N 1 0 320.393 1.328 20 5 DDBDRO C[C@@H]([NH2+]CC(=O)N1CCN(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000610805637 360540930 /nfs/dbraw/zinc/54/09/30/360540930.db2.gz PRILNPPGESRPOM-GFCCVEGCSA-N 1 0 306.366 1.019 20 5 DDBDRO CC[N@@H+]1CCN(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@@H]1C ZINC000611091739 360620151 /nfs/dbraw/zinc/62/01/51/360620151.db2.gz FMXSVGPNSDCTHW-ZDUSSCGKSA-N 1 0 320.393 1.868 20 5 DDBDRO CN(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C[C@@H]1CCCO1 ZINC000611253853 360681471 /nfs/dbraw/zinc/68/14/71/360681471.db2.gz XNSYMTMFXAMKRQ-LBPRGKRZSA-N 1 0 308.334 1.977 20 5 DDBDRO CC(C)[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)C(=O)N1CCCC1 ZINC000611395575 360710850 /nfs/dbraw/zinc/71/08/50/360710850.db2.gz PDSBMZZCUMKHMJ-ZDUSSCGKSA-N 1 0 309.370 1.028 20 5 DDBDRO C[NH2+]CCCNS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000193235682 201010667 /nfs/dbraw/zinc/01/06/67/201010667.db2.gz NYLJWTOCSTUPQT-UHFFFAOYSA-N 1 0 324.362 1.031 20 5 DDBDRO C[NH2+]CCNS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000193255367 201014419 /nfs/dbraw/zinc/01/44/19/201014419.db2.gz NNTMVKAPKWNZJB-UHFFFAOYSA-N 1 0 307.759 1.054 20 5 DDBDRO COc1ccc(OCC[NH2+][C@@H]2C(=O)NCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000193634103 201091837 /nfs/dbraw/zinc/09/18/37/201091837.db2.gz JHHADVMOVSGLBB-YGRLFVJLSA-N 1 0 323.349 1.096 20 5 DDBDRO Cc1nn(CCC(=O)NC2CC([NH+](C)C)C2)c(C)c1[N+](=O)[O-] ZINC000619873080 364170590 /nfs/dbraw/zinc/17/05/90/364170590.db2.gz YTLRFEOEQSSUEQ-UHFFFAOYSA-N 1 0 309.370 1.007 20 5 DDBDRO Cc1cc(C(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)ccc1[N+](=O)[O-] ZINC000619873376 364170627 /nfs/dbraw/zinc/17/06/27/364170627.db2.gz HZTNLJFSUYBHKT-CQSZACIVSA-N 1 0 318.377 1.023 20 5 DDBDRO O=[N+]([O-])c1cccc(OCCN2CC[NH2+]C[C@H]2C(F)F)c1 ZINC000566242498 304131949 /nfs/dbraw/zinc/13/19/49/304131949.db2.gz TZUGSNZVLGDAPZ-LBPRGKRZSA-N 1 0 301.293 1.513 20 5 DDBDRO Cc1cc(S(=O)(=O)NC[C@H]2CCC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000271763062 209192450 /nfs/dbraw/zinc/19/24/50/209192450.db2.gz PFPYHVIJNFOAMJ-LLVKDONJSA-N 1 0 313.379 1.276 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C)c1cn[nH]c1 ZINC000275178719 212176536 /nfs/dbraw/zinc/17/65/36/212176536.db2.gz MQRWGLWMTJGQLC-SNVBAGLBSA-N 1 0 303.322 1.916 20 5 DDBDRO COc1ccc(C(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000261953412 203161005 /nfs/dbraw/zinc/16/10/05/203161005.db2.gz NKIXDSJBVMKDKW-PWSUYJOCSA-N 1 0 307.350 1.721 20 5 DDBDRO COc1cc(C(=O)N2CC[NH2+]C[C@@H]2C)cc([N+](=O)[O-])c1OC ZINC000261924612 203153242 /nfs/dbraw/zinc/15/32/42/203153242.db2.gz ARCMJQOMOUJHML-VIFPVBQESA-N 1 0 309.322 1.046 20 5 DDBDRO COc1ccc(CNC(=O)[C@H]2CC23CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000261926467 203153608 /nfs/dbraw/zinc/15/36/08/203153608.db2.gz JZDOUJUJYGUTLO-GFCCVEGCSA-N 1 0 319.361 1.609 20 5 DDBDRO COc1cc(C(=O)N[C@@H]2[C@H](C)CC[NH2+][C@H]2C)ccc1[N+](=O)[O-] ZINC000262392032 203282485 /nfs/dbraw/zinc/28/24/85/203282485.db2.gz BJCRTRRFDIIKLW-ISTVAULSSA-N 1 0 307.350 1.720 20 5 DDBDRO C[N@@H+]1CC[C@H](CNC(=O)COc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000264668541 204067336 /nfs/dbraw/zinc/06/73/36/204067336.db2.gz LDIQZHJEMARMMN-SNVBAGLBSA-N 1 0 311.313 1.181 20 5 DDBDRO CN(CCCN1CC[NH+](C)CC1)C(=O)c1ccccc1[N+](=O)[O-] ZINC000264662897 204062927 /nfs/dbraw/zinc/06/29/27/204062927.db2.gz WFDFOSDFABNHAM-UHFFFAOYSA-N 1 0 320.393 1.304 20 5 DDBDRO CN1CC[N@H+](C)C[C@H]1CNc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000264731183 204111389 /nfs/dbraw/zinc/11/13/89/204111389.db2.gz IYRXYMWVFITABX-CQSZACIVSA-N 1 0 315.377 1.801 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000264956129 204300297 /nfs/dbraw/zinc/30/02/97/204300297.db2.gz YSWSUELVBOJRJJ-LBPRGKRZSA-N 1 0 306.366 1.485 20 5 DDBDRO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NCCC[NH+]1CCCC1 ZINC000282573268 217097798 /nfs/dbraw/zinc/09/77/98/217097798.db2.gz AOLYUHYAXADOQF-UHFFFAOYSA-N 1 0 310.329 1.532 20 5 DDBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000271721727 209156102 /nfs/dbraw/zinc/15/61/02/209156102.db2.gz WTRYTOLNWRZXNM-SWLSCSKDSA-N 1 0 304.350 1.811 20 5 DDBDRO CC[NH+]1CCC(NC(=O)NCCc2ccccc2[N+](=O)[O-])CC1 ZINC000266063001 205068130 /nfs/dbraw/zinc/06/81/30/205068130.db2.gz BHAHMBGYGINQBH-UHFFFAOYSA-N 1 0 320.393 1.921 20 5 DDBDRO COCC[NH+]1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000266176841 205161250 /nfs/dbraw/zinc/16/12/50/205161250.db2.gz TYMZOEIMSYOXGZ-UHFFFAOYSA-N 1 0 316.361 1.911 20 5 DDBDRO C[N@H+](C[C@H](O)CN1CCc2ccc([N+](=O)[O-])cc2C1)C1CC1 ZINC000351543670 284369928 /nfs/dbraw/zinc/36/99/28/284369928.db2.gz SVCSBLYRIFPCGE-INIZCTEOSA-N 1 0 305.378 1.408 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]Cc1ccns1 ZINC001120467397 781964272 /nfs/dbraw/zinc/96/42/72/781964272.db2.gz LGAXDBIEIMFNAO-JTQLQIEISA-N 1 0 309.347 1.581 20 5 DDBDRO [NH3+]CC[C@@H]1CCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000070149360 248204537 /nfs/dbraw/zinc/20/45/37/248204537.db2.gz WWGBLZJPLNUOII-NSHDSACASA-N 1 0 313.379 1.487 20 5 DDBDRO C[NH+](C)CCOC1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000351884114 284612080 /nfs/dbraw/zinc/61/20/80/284612080.db2.gz HAEZWTSUYYUKDW-UHFFFAOYSA-N 1 0 321.377 1.778 20 5 DDBDRO NC(=O)c1cccc(N2CC[C@@H](C[NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000338672743 250084243 /nfs/dbraw/zinc/08/42/43/250084243.db2.gz JVQKJLRUWQBTNO-LBPRGKRZSA-N 1 0 318.377 1.616 20 5 DDBDRO CCCc1n[nH]c(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000109621886 194277697 /nfs/dbraw/zinc/27/76/97/194277697.db2.gz KGKLFZGOYFPNKQ-LLVKDONJSA-N 1 0 321.381 1.581 20 5 DDBDRO C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000109849696 194293669 /nfs/dbraw/zinc/29/36/69/194293669.db2.gz BGWMDYGRGUEWBB-NSHDSACASA-N 1 0 318.377 1.851 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@@H](O)C[C@H]1C ZINC000340907090 251269182 /nfs/dbraw/zinc/26/91/82/251269182.db2.gz LEQGREUCZROMJL-YPMHNXCESA-N 1 0 307.350 1.687 20 5 DDBDRO C[NH2+][C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)C1 ZINC000269147515 207275130 /nfs/dbraw/zinc/27/51/30/207275130.db2.gz ZZKKBIJQXKKIME-SNVBAGLBSA-N 1 0 322.321 1.554 20 5 DDBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000567820635 304246492 /nfs/dbraw/zinc/24/64/92/304246492.db2.gz NEDKEHHWOLBKJR-QWRGUYRKSA-N 1 0 322.365 1.625 20 5 DDBDRO C[NH+]1CCC(CCNC(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000120210909 195119865 /nfs/dbraw/zinc/11/98/65/195119865.db2.gz RKMFXUVIBOWSEO-UHFFFAOYSA-N 1 0 321.377 1.822 20 5 DDBDRO C[C@H]1[NH2+]CCC[C@H]1C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000288684269 220347663 /nfs/dbraw/zinc/34/76/63/220347663.db2.gz XDYRPQMNEAPDFG-VXGBXAGGSA-N 1 0 306.366 1.511 20 5 DDBDRO O=[N+]([O-])c1cnc2ccc(N3CC[C@H]([NH+]4CC=CC4)C3)nn21 ZINC000302010362 285185507 /nfs/dbraw/zinc/18/55/07/285185507.db2.gz VYIOJRKTTFXDLD-NSHDSACASA-N 1 0 300.322 1.088 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCCC[C@H]1C[NH3+] ZINC000430625052 533138021 /nfs/dbraw/zinc/13/80/21/533138021.db2.gz KBWOATPFRRTSRS-LBPRGKRZSA-N 1 0 322.365 1.355 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000289781762 221223220 /nfs/dbraw/zinc/22/32/20/221223220.db2.gz NYOFDSPNBHRCHW-RYUDHWBXSA-N 1 0 305.334 1.042 20 5 DDBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)Cn2ccnn2)cc1[N+](=O)[O-] ZINC000414178496 224309210 /nfs/dbraw/zinc/30/92/10/224309210.db2.gz KAWAWZJVGRTTIW-DGCLKSJQSA-N 1 0 305.338 1.206 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@H](O)Cn1ccnn1)CCC2 ZINC000414199937 224311393 /nfs/dbraw/zinc/31/13/93/224311393.db2.gz XBZXGUCBVKUGHF-UKRRQHHQSA-N 1 0 317.349 1.214 20 5 DDBDRO O=C(COc1ccccc1[N+](=O)[O-])N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000290048483 221402226 /nfs/dbraw/zinc/40/22/26/221402226.db2.gz HAVQTWIMSBNWFH-VXGBXAGGSA-N 1 0 305.334 1.042 20 5 DDBDRO COc1c(C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000331520065 533392213 /nfs/dbraw/zinc/39/22/13/533392213.db2.gz NVPNIHAVQHHCIW-GWCFXTLKSA-N 1 0 319.361 1.816 20 5 DDBDRO COc1cc(C(=O)N[C@@H]2CCC[C@H]2C[NH3+])cc([N+](=O)[O-])c1C ZINC000422849231 533548375 /nfs/dbraw/zinc/54/83/75/533548375.db2.gz BQITWYUBYAYYCJ-CMPLNLGQSA-N 1 0 307.350 1.769 20 5 DDBDRO C/C=C\C[C@H](CO)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000568393505 304290965 /nfs/dbraw/zinc/29/09/65/304290965.db2.gz DOJIVPCBVAFBNC-DEOOVVBZSA-N 1 0 310.350 1.251 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H](O)Cn1ccnn1 ZINC000569081578 304334849 /nfs/dbraw/zinc/33/48/49/304334849.db2.gz CLZLJIVIVAWMJW-AAEUAGOBSA-N 1 0 305.338 1.206 20 5 DDBDRO C[C@@H]1C[C@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000569213801 304341691 /nfs/dbraw/zinc/34/16/91/304341691.db2.gz CXVBRHMUVBUCCF-YRGRVCCFSA-N 1 0 310.350 1.492 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CCC1CC(O)C1 ZINC000569363051 304351171 /nfs/dbraw/zinc/35/11/71/304351171.db2.gz YDBMNCUXWCEWNP-BPCQOVAHSA-N 1 0 310.350 1.085 20 5 DDBDRO Cn1cncc1CC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000569833426 304381218 /nfs/dbraw/zinc/38/12/18/304381218.db2.gz HUJQMZAGXXFPTK-KGLIPLIRSA-N 1 0 318.381 1.841 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000292053778 286381351 /nfs/dbraw/zinc/38/13/51/286381351.db2.gz AEOWKPKPEGDIFX-MRXNPFEDSA-N 1 0 319.361 1.771 20 5 DDBDRO CC(C)[C@H]([NH3+])CNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000070447748 406817179 /nfs/dbraw/zinc/81/71/79/406817179.db2.gz MHSBUCLPBOJQJQ-SECBINFHSA-N 1 0 321.786 1.510 20 5 DDBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[NH2+]CC1 ZINC000038081446 406999754 /nfs/dbraw/zinc/99/97/54/406999754.db2.gz GUCLZWDECDCUET-VIFPVBQESA-N 1 0 313.741 1.447 20 5 DDBDRO O=[N+]([O-])c1ccc(CN2CCN(CC[NH+]3CCCC3)CC2)cc1 ZINC000053100610 407163277 /nfs/dbraw/zinc/16/32/77/407163277.db2.gz IJZPZSNPTYBWIV-UHFFFAOYSA-N 1 0 318.421 1.808 20 5 DDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+]C2CC2)c(Cl)c1 ZINC000054266981 407181494 /nfs/dbraw/zinc/18/14/94/407181494.db2.gz SICZQYMBRQLYLO-UHFFFAOYSA-N 1 0 319.770 1.279 20 5 DDBDRO Cc1cc(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)c(N)c([N+](=O)[O-])c1 ZINC000066620646 407255268 /nfs/dbraw/zinc/25/52/68/407255268.db2.gz YKNINSQZFUPKNX-LLVKDONJSA-N 1 0 318.377 1.700 20 5 DDBDRO CNC(=O)[C@H]1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000111263946 407404109 /nfs/dbraw/zinc/40/41/09/407404109.db2.gz CDXXZQWHLZNYHW-LBPRGKRZSA-N 1 0 307.350 1.432 20 5 DDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C[NH3+])C2)cc1OC ZINC000178538036 407485729 /nfs/dbraw/zinc/48/57/29/407485729.db2.gz RKJBSLZOMXJJPZ-JTQLQIEISA-N 1 0 323.349 1.423 20 5 DDBDRO COc1ccc(C(=O)N2CC[C@H](OC)C[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000261626176 407557252 /nfs/dbraw/zinc/55/72/52/407557252.db2.gz CPAIBTKJWFMDIA-RYUDHWBXSA-N 1 0 323.349 1.182 20 5 DDBDRO C[NH2+][C@H]1CCCN([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000261685143 407576874 /nfs/dbraw/zinc/57/68/74/407576874.db2.gz DNJAEUCGVGOYKA-RYUDHWBXSA-N 1 0 306.366 1.606 20 5 DDBDRO O=C(NC[C@@H]1CCC[NH2+]1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000178758838 407587369 /nfs/dbraw/zinc/58/73/69/407587369.db2.gz UBUXRUAMCSWCMU-NSHDSACASA-N 1 0 315.333 1.262 20 5 DDBDRO Cc1ccc(NC(=O)C(=O)N2CC[C@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000170845438 407528083 /nfs/dbraw/zinc/52/80/83/407528083.db2.gz QEXVUKMYKJJVHO-LBPRGKRZSA-N 1 0 320.349 1.004 20 5 DDBDRO C[C@@H](C[NH+]1CCOCC1)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000271139939 407533269 /nfs/dbraw/zinc/53/32/69/407533269.db2.gz RWJOISAKUBHBOB-LBPRGKRZSA-N 1 0 307.350 1.179 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)c1 ZINC000266326253 407536198 /nfs/dbraw/zinc/53/61/98/407536198.db2.gz GGUIRBWWCXXQEK-VXGBXAGGSA-N 1 0 309.366 1.495 20 5 DDBDRO C[C@H]([NH2+]CCCN1C(=O)CNC1=O)c1ccccc1[N+](=O)[O-] ZINC000266437724 407537927 /nfs/dbraw/zinc/53/79/27/407537927.db2.gz FXTNFIYAVWEDSF-JTQLQIEISA-N 1 0 306.322 1.187 20 5 DDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC2(C1)CC[NH2+]CC2 ZINC000220100362 407538807 /nfs/dbraw/zinc/53/88/07/407538807.db2.gz LVWUXDFNJAMTFI-UHFFFAOYSA-N 1 0 303.362 1.739 20 5 DDBDRO Cc1nn(CCC(=O)N(C)C2CC[NH+](C)CC2)c(C)c1[N+](=O)[O-] ZINC000171099790 407596856 /nfs/dbraw/zinc/59/68/56/407596856.db2.gz FFUIZDFFHNXKJT-UHFFFAOYSA-N 1 0 323.397 1.351 20 5 DDBDRO CN(C(=O)C[N@H+](C)C[C@H]1CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000178780584 407599207 /nfs/dbraw/zinc/59/92/07/407599207.db2.gz QDFURPBXJMESBZ-GFCCVEGCSA-N 1 0 307.350 1.526 20 5 DDBDRO C[C@H]([NH3+])C1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000178836895 407620084 /nfs/dbraw/zinc/62/00/84/407620084.db2.gz PCSYKSAQHFGXMO-QMMMGPOBSA-N 1 0 310.329 1.516 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000228156664 407644669 /nfs/dbraw/zinc/64/46/69/407644669.db2.gz GGUKFWDCEHVOKT-WDEREUQCSA-N 1 0 313.379 1.261 20 5 DDBDRO O=C(CC[C@H]1CC[NH2+]C1)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000261880213 407654665 /nfs/dbraw/zinc/65/46/65/407654665.db2.gz SZRBKNZGPWUILC-LBPRGKRZSA-N 1 0 306.366 1.513 20 5 DDBDRO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000152615136 407661055 /nfs/dbraw/zinc/66/10/55/407661055.db2.gz OLIPCNNFLYFPHV-LLVKDONJSA-N 1 0 309.341 1.687 20 5 DDBDRO CCC[NH+]1CCC(CNC(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000129175237 407594969 /nfs/dbraw/zinc/59/49/69/407594969.db2.gz TYYKPASOMXYYSP-UHFFFAOYSA-N 1 0 309.370 1.030 20 5 DDBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@@H](CN3CCOCC3)C2)c1 ZINC000129180659 407595727 /nfs/dbraw/zinc/59/57/27/407595727.db2.gz FDKQNZHKYSJMJK-HNNXBMFYSA-N 1 0 305.378 1.749 20 5 DDBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)CCc1cnccn1 ZINC000271401428 407669884 /nfs/dbraw/zinc/66/98/84/407669884.db2.gz XDOWOYRURJCESZ-UHFFFAOYSA-N 1 0 302.334 1.938 20 5 DDBDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000115436473 407681932 /nfs/dbraw/zinc/68/19/32/407681932.db2.gz MPUZIVRAPKGMKM-ZDUSSCGKSA-N 1 0 321.377 1.774 20 5 DDBDRO C[NH2+][C@H](C(=O)N(C)Cc1ccccc1[N+](=O)[O-])c1cnn(C)c1 ZINC000261994572 407704677 /nfs/dbraw/zinc/70/46/77/407704677.db2.gz AFNTZOORJAVYNN-AWEZNQCLSA-N 1 0 317.349 1.247 20 5 DDBDRO CN(C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)[C@@H]1CC[NH2+]C1 ZINC000179069950 407714141 /nfs/dbraw/zinc/71/41/41/407714141.db2.gz YFCCAMOQWMTZLI-GFCCVEGCSA-N 1 0 304.350 1.603 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@@H]2[C@H](C1)OCCN2C ZINC000152949522 407721832 /nfs/dbraw/zinc/72/18/32/407721832.db2.gz HEEIWRLBZOCLHE-KGLIPLIRSA-N 1 0 305.334 1.058 20 5 DDBDRO CC(C)[C@H]([NH3+])C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000236729231 407763912 /nfs/dbraw/zinc/76/39/12/407763912.db2.gz DIESKWIUJKRNAC-AWEZNQCLSA-N 1 0 306.366 1.227 20 5 DDBDRO NC(=O)c1ccc(N2CCC[N@@H+](C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000171831411 407778279 /nfs/dbraw/zinc/77/82/79/407778279.db2.gz BJEZHKOAKRAZCD-UHFFFAOYSA-N 1 0 304.350 1.368 20 5 DDBDRO Cc1cc([N+](=O)[O-])cnc1NCCN1CCC([NH+](C)C)CC1 ZINC000267227932 407798491 /nfs/dbraw/zinc/79/84/91/407798491.db2.gz VDJWKJZFFSZNIN-UHFFFAOYSA-N 1 0 307.398 1.736 20 5 DDBDRO COc1cc(N2CC[NH+](CC(C)(C)O)CC2)ccc1[N+](=O)[O-] ZINC000117106958 407809668 /nfs/dbraw/zinc/80/96/68/407809668.db2.gz LNARXKFOYHCLSH-UHFFFAOYSA-N 1 0 309.366 1.496 20 5 DDBDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000272232697 407828251 /nfs/dbraw/zinc/82/82/51/407828251.db2.gz JYJXBDIBTAVRIM-NEPJUHHUSA-N 1 0 306.366 1.593 20 5 DDBDRO CC[NH+](CC)CCCNC(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000133343809 407832033 /nfs/dbraw/zinc/83/20/33/407832033.db2.gz XWDRMCADUZWJCD-UHFFFAOYSA-N 1 0 311.386 1.338 20 5 DDBDRO CC1(C)CCC[NH2+][C@@H]1CNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000262455137 407840326 /nfs/dbraw/zinc/84/03/26/407840326.db2.gz ICVLIGVCBISZDL-LLVKDONJSA-N 1 0 307.354 1.279 20 5 DDBDRO CCOC(=O)c1ccnc(N(C)CCC[NH+](C)C)c1[N+](=O)[O-] ZINC000180108378 407854560 /nfs/dbraw/zinc/85/45/60/407854560.db2.gz DWKYCRFHSLDBRG-UHFFFAOYSA-N 1 0 310.354 1.554 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CC[C@]3(CCOC3)C2)c1 ZINC000153605310 407860295 /nfs/dbraw/zinc/86/02/95/407860295.db2.gz AWLGLJXJMURAHC-HOCLYGCPSA-N 1 0 322.361 1.447 20 5 DDBDRO C[C@H]([NH3+])CCNC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000262539949 407861282 /nfs/dbraw/zinc/86/12/82/407861282.db2.gz RPYLWZLQUCXLNY-IUCAKERBSA-N 1 0 315.757 1.869 20 5 DDBDRO C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C[N@@H+]1C1CC1 ZINC000133592642 407863617 /nfs/dbraw/zinc/86/36/17/407863617.db2.gz BIXNSZRZIVMUNB-DTWKUNHWSA-N 1 0 306.322 1.050 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000262738424 407913295 /nfs/dbraw/zinc/91/32/95/407913295.db2.gz BFCOEMUPLWPNOR-CMPLNLGQSA-N 1 0 313.379 1.180 20 5 DDBDRO COc1cc(C(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)cc([N+](=O)[O-])c1OC ZINC000272273754 407844087 /nfs/dbraw/zinc/84/40/87/407844087.db2.gz NXHXICOKBAKVCM-VHSXEESVSA-N 1 0 323.349 1.421 20 5 DDBDRO C[NH+](C)C[C@@H]1CCCN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000268203320 407946345 /nfs/dbraw/zinc/94/63/45/407946345.db2.gz UJPZUFOVKFJFGS-NSHDSACASA-N 1 0 322.321 1.669 20 5 DDBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000181185951 407960844 /nfs/dbraw/zinc/96/08/44/407960844.db2.gz BESGJGFMPCGNPP-LBPRGKRZSA-N 1 0 320.393 1.885 20 5 DDBDRO C[C@@H]1C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H]1c1ccccc1 ZINC000245419091 407971482 /nfs/dbraw/zinc/97/14/82/407971482.db2.gz GWEXASAPDQAIKV-UHOFOFEASA-N 1 0 316.361 1.845 20 5 DDBDRO COc1ccc(C(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000272544360 407976022 /nfs/dbraw/zinc/97/60/22/407976022.db2.gz CJDIWVPGXCXKDV-BXUZGUMPSA-N 1 0 319.361 1.770 20 5 DDBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000268158906 407920630 /nfs/dbraw/zinc/92/06/30/407920630.db2.gz HNJFNEJZLORCAO-PRHODGIISA-N 1 0 322.340 1.529 20 5 DDBDRO CN(CC(=O)N1CCC[C@H]1C[NH+](C)C)c1ccccc1[N+](=O)[O-] ZINC000268197786 407941972 /nfs/dbraw/zinc/94/19/72/407941972.db2.gz SXYZEQHYPFVMSE-ZDUSSCGKSA-N 1 0 320.393 1.584 20 5 DDBDRO CC[C@]1(C(=O)Nc2cc(C(=O)OC)cc([N+](=O)[O-])c2)CC[NH2+]C1 ZINC000119324688 408040112 /nfs/dbraw/zinc/04/01/12/408040112.db2.gz JUKJCDIPBCBHQM-HNNXBMFYSA-N 1 0 321.333 1.710 20 5 DDBDRO COc1cc(OCC(=O)N[C@@H]2CC[NH2+][C@H](C)C2)ccc1[N+](=O)[O-] ZINC000262961740 407986034 /nfs/dbraw/zinc/98/60/34/407986034.db2.gz WPTUBFOGZVLCAQ-GHMZBOCLSA-N 1 0 323.349 1.239 20 5 DDBDRO COC(=O)c1ccc(C[N@H+](C)CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000174818203 407996185 /nfs/dbraw/zinc/99/61/85/407996185.db2.gz OVWBOAJZXYWMRZ-UHFFFAOYSA-N 1 0 318.333 1.710 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1N(CC[NH+](C)C)Cc1cccs1 ZINC000268372733 408015428 /nfs/dbraw/zinc/01/54/28/408015428.db2.gz ZAVKLKJMBIXSTO-UHFFFAOYSA-N 1 0 309.395 1.958 20 5 DDBDRO C[C@H]1C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H]2CCCC[C@H]12 ZINC000182472380 408171744 /nfs/dbraw/zinc/17/17/44/408171744.db2.gz AIGNUCMCBSSGLY-MHEUCROKSA-N 1 0 308.382 1.663 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C)c1cnn(C)c1 ZINC000273414069 408188521 /nfs/dbraw/zinc/18/85/21/408188521.db2.gz UCHMGUNKCIMBGE-NSHDSACASA-N 1 0 317.349 1.926 20 5 DDBDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000269284685 408252918 /nfs/dbraw/zinc/25/29/18/408252918.db2.gz MXPBYTSBNKWDRY-KGLIPLIRSA-N 1 0 305.334 1.657 20 5 DDBDRO O=C(Cn1ccc([N+](=O)[O-])n1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000150770417 408199707 /nfs/dbraw/zinc/19/97/07/408199707.db2.gz IDXSVTULJGCBEC-CYBMUJFWSA-N 1 0 321.381 1.268 20 5 DDBDRO C[C@H](NC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)C(C)(C)C[NH+](C)C ZINC000175826869 408218172 /nfs/dbraw/zinc/21/81/72/408218172.db2.gz LUZRFVKBIWFQLD-VIFPVBQESA-N 1 0 310.354 1.402 20 5 DDBDRO CC[N@H+](C)CCNC(=O)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000121481530 408221201 /nfs/dbraw/zinc/22/12/01/408221201.db2.gz RTIFJYHIIYZQET-UHFFFAOYSA-N 1 0 322.365 1.218 20 5 DDBDRO CCC[C@@](C)([NH3+])C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000269197010 408232531 /nfs/dbraw/zinc/23/25/31/408232531.db2.gz TVJSBIOBCVJSHA-MRXNPFEDSA-N 1 0 320.393 1.761 20 5 DDBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2N)[C@@H](C)C1 ZINC000246479670 408267133 /nfs/dbraw/zinc/26/71/33/408267133.db2.gz PJIQFBCQLYHMJI-AAEUAGOBSA-N 1 0 320.393 1.979 20 5 DDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000170812608 162194088 /nfs/dbraw/zinc/19/40/88/162194088.db2.gz XSIKNWBJSYKYJZ-GFCCVEGCSA-N 1 0 304.350 1.487 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1CN(CCO)C1CC[NH+](C)CC1 ZINC000183210432 408354554 /nfs/dbraw/zinc/35/45/54/408354554.db2.gz ZCNKRZJFIZCJDC-UHFFFAOYSA-N 1 0 307.394 1.792 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000171449026 162219771 /nfs/dbraw/zinc/21/97/71/162219771.db2.gz VQVKVUMPZWAILU-AWEZNQCLSA-N 1 0 319.361 1.670 20 5 DDBDRO C[C@@H]([NH2+]C[C@H](O)CN1CCCC1=O)c1cccc([N+](=O)[O-])c1 ZINC000173363970 162333933 /nfs/dbraw/zinc/33/39/33/162333933.db2.gz NIBOYQRJFCWBAX-RISCZKNCSA-N 1 0 307.350 1.229 20 5 DDBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000274543565 408445895 /nfs/dbraw/zinc/44/58/95/408445895.db2.gz UUUKGIOXRAHXEU-QMTHXVAHSA-N 1 0 306.366 1.589 20 5 DDBDRO CC[NH+]1CCN([C@@H]2CCN(c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000264422585 408484227 /nfs/dbraw/zinc/48/42/27/408484227.db2.gz RJGMASGNSVJNIF-MRXNPFEDSA-N 1 0 304.394 1.811 20 5 DDBDRO C[C@H]1C[C@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2N)CC[N@@H+]1C ZINC000274660460 408485364 /nfs/dbraw/zinc/48/53/64/408485364.db2.gz YSMGRNGSUQXUFB-WDEREUQCSA-N 1 0 306.366 1.732 20 5 DDBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000176969475 408487454 /nfs/dbraw/zinc/48/74/54/408487454.db2.gz VRQWHMARDLKRGF-NSHDSACASA-N 1 0 306.366 1.591 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000264438490 408490356 /nfs/dbraw/zinc/49/03/56/408490356.db2.gz SGITWAXJAVPEEF-LBPRGKRZSA-N 1 0 309.370 1.042 20 5 DDBDRO COCC[N@@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000264483720 408508864 /nfs/dbraw/zinc/50/88/64/408508864.db2.gz IFZBUTRPJZUCBB-LBPRGKRZSA-N 1 0 307.350 1.354 20 5 DDBDRO C[NH2+][C@@H]1CCN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000160667310 408511330 /nfs/dbraw/zinc/51/13/30/408511330.db2.gz ZLNXYNOUEKDWEJ-LLVKDONJSA-N 1 0 315.333 1.214 20 5 DDBDRO CC(C)(C(=O)N1CCO[C@H](C[NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC000274814072 408543561 /nfs/dbraw/zinc/54/35/61/408543561.db2.gz RFINVTRQDJUNSG-CYBMUJFWSA-N 1 0 307.350 1.059 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H](CCO)C(C)C ZINC000161824963 408643027 /nfs/dbraw/zinc/64/30/27/408643027.db2.gz MXOCWRSONQZWEX-ZDUSSCGKSA-N 1 0 309.366 1.838 20 5 DDBDRO C[C@@H](CNC(=O)c1c([N+](=O)[O-])cnn1C)[N@@H+]1CCC[C@@H](C)C1 ZINC000162085609 408669433 /nfs/dbraw/zinc/66/94/33/408669433.db2.gz DGUGWEBIWSYPPM-MNOVXSKESA-N 1 0 309.370 1.179 20 5 DDBDRO Nc1c(C(=O)N2CC[NH+](C3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000178161938 408782309 /nfs/dbraw/zinc/78/23/09/408782309.db2.gz NLEITRKDKJZUJE-UHFFFAOYSA-N 1 0 318.377 1.877 20 5 DDBDRO C[C@H](O)CN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000251714139 408785869 /nfs/dbraw/zinc/78/58/69/408785869.db2.gz KVAYODZSJMPBNN-NEPJUHHUSA-N 1 0 307.350 1.122 20 5 DDBDRO O=[N+]([O-])c1ccc(OC[C@@H]2C[NH2+]CCO2)c(Br)c1 ZINC000164069503 408792854 /nfs/dbraw/zinc/79/28/54/408792854.db2.gz AKFXEVQVMYGJDP-VIFPVBQESA-N 1 0 317.139 1.725 20 5 DDBDRO CC[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)N1CCOCC1 ZINC000165010579 408806346 /nfs/dbraw/zinc/80/63/46/408806346.db2.gz ZERSQGHYVZLELA-DOMZBBRYSA-N 1 0 321.377 1.883 20 5 DDBDRO CC[NH+](CC)CCCCNC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000183628399 162860918 /nfs/dbraw/zinc/86/09/18/162860918.db2.gz NTIUBEMIDJCVFC-UHFFFAOYSA-N 1 0 309.370 1.424 20 5 DDBDRO CCc1n[nH]c(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000178001152 408755300 /nfs/dbraw/zinc/75/53/00/408755300.db2.gz BQXDVDZVXPOLJA-PWSUYJOCSA-N 1 0 321.381 1.437 20 5 DDBDRO [NH3+][C@H]1CC[C@H]2CN(C(=O)/C=C/c3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000185123577 408762087 /nfs/dbraw/zinc/76/20/87/408762087.db2.gz CQCCNRVJSGRSDT-YPSUBDEXSA-N 1 0 301.346 1.804 20 5 DDBDRO C[C@H](C(=O)N1CC[C@@H]([NH+](C)C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000185181854 408776441 /nfs/dbraw/zinc/77/64/41/408776441.db2.gz JKVPEECIOBHJNJ-CMPLNLGQSA-N 1 0 309.341 2.000 20 5 DDBDRO C[C@@H](C(=O)N1CC[C@@H]([NH+](C)C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000185181873 408776460 /nfs/dbraw/zinc/77/64/60/408776460.db2.gz JKVPEECIOBHJNJ-ZYHUDNBSSA-N 1 0 309.341 2.000 20 5 DDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000276309852 408833256 /nfs/dbraw/zinc/83/32/56/408833256.db2.gz OFYNUDMOKQMMHB-ZIAGYGMSSA-N 1 0 304.350 1.534 20 5 DDBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000276501253 408871765 /nfs/dbraw/zinc/87/17/65/408871765.db2.gz JMWODCZBGYTLRB-XPTSAGLGSA-N 1 0 304.350 1.390 20 5 DDBDRO CO[C@@H]1CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000281674567 408906943 /nfs/dbraw/zinc/90/69/43/408906943.db2.gz LWIYKCOUAJRHLT-HZSPNIEDSA-N 1 0 324.377 1.834 20 5 DDBDRO CCCN1CCCN(CCOc2ccc([N+](=O)[O-])cc2)CC1=O ZINC000189404730 163098538 /nfs/dbraw/zinc/09/85/38/163098538.db2.gz YTWZNKXLXLWOHT-UHFFFAOYSA-N 1 0 321.377 1.918 20 5 DDBDRO C[NH+](C)[C@H]1CCCN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000277367464 408927702 /nfs/dbraw/zinc/92/77/02/408927702.db2.gz VIMONDBJRSGFOH-ZDUSSCGKSA-N 1 0 321.377 1.916 20 5 DDBDRO COC(=O)c1cc(C)nc(NCC2=CC[N@H+](C)CC2)c1[N+](=O)[O-] ZINC000286118578 408926937 /nfs/dbraw/zinc/92/69/37/408926937.db2.gz FCVFGRYKGQRGSQ-UHFFFAOYSA-N 1 0 320.349 1.759 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H]1CCC[C@H]1CCO ZINC000286172937 408935662 /nfs/dbraw/zinc/93/56/62/408935662.db2.gz OSUQJYPACXBHMV-WFASDCNBSA-N 1 0 321.377 1.982 20 5 DDBDRO Cc1nn(C)c(C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)c1[N+](=O)[O-] ZINC000277398214 408932834 /nfs/dbraw/zinc/93/28/34/408932834.db2.gz BDSAUYFMYHYCIM-GFCCVEGCSA-N 1 0 321.381 1.383 20 5 DDBDRO CCS[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000233987081 163352868 /nfs/dbraw/zinc/35/28/68/163352868.db2.gz MIZJMTCZHOMIQL-FRRDWIJNSA-N 1 0 314.411 1.416 20 5 DDBDRO CCCN(CC[NH+]1CCCCC1)C(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000286280861 408955175 /nfs/dbraw/zinc/95/51/75/408955175.db2.gz RFNPRCKBYCJTIF-UHFFFAOYSA-N 1 0 323.397 1.964 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000277643419 408983241 /nfs/dbraw/zinc/98/32/41/408983241.db2.gz UFVRNGWUAUUQHF-GFCCVEGCSA-N 1 0 307.350 1.770 20 5 DDBDRO COc1cc(C(=O)N[C@H]2CC[NH2+]C[C@@H]2C)cc([N+](=O)[O-])c1OC ZINC000277699226 408994484 /nfs/dbraw/zinc/99/44/84/408994484.db2.gz WAEKOBZPQUOKJO-ONGXEEELSA-N 1 0 323.349 1.340 20 5 DDBDRO Cc1c(NC(=O)C(=O)NC[C@@H](C)C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000293223664 409070029 /nfs/dbraw/zinc/07/00/29/409070029.db2.gz QFWWVSLOUSPWOK-SNVBAGLBSA-N 1 0 322.365 1.156 20 5 DDBDRO CCCc1n[nH]c(C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)c1[N+](=O)[O-] ZINC000293327964 409090488 /nfs/dbraw/zinc/09/04/88/409090488.db2.gz IWNZLWPGLPHUML-NXEZZACHSA-N 1 0 307.354 1.094 20 5 DDBDRO O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000293378810 409101222 /nfs/dbraw/zinc/10/12/22/409101222.db2.gz LGTUZSAFMLGLKF-ZANVPECISA-N 1 0 320.305 1.327 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000293570052 409139837 /nfs/dbraw/zinc/13/98/37/409139837.db2.gz XXRXQBQXABXXDO-GWCFXTLKSA-N 1 0 305.334 1.427 20 5 DDBDRO C[N@H+]1C[C@H]2CN(C(=O)c3cc4cc([N+](=O)[O-])ccc4o3)C[C@H]2C1 ZINC000279156394 409160415 /nfs/dbraw/zinc/16/04/15/409160415.db2.gz FGCURTZZBGOCLG-TXEJJXNPSA-N 1 0 315.329 1.975 20 5 DDBDRO C[C@H](CNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1)C[NH+](C)C ZINC000293716509 409166850 /nfs/dbraw/zinc/16/68/50/409166850.db2.gz JOLCAKZMPYRGCA-MRVPVSSYSA-N 1 0 323.378 1.527 20 5 DDBDRO CN(C(=O)c1cc([N+](=O)[O-])c(F)cc1N)C1CC[NH+](C)CC1 ZINC000279201775 409169380 /nfs/dbraw/zinc/16/93/80/409169380.db2.gz LBWPLEALSNNZND-UHFFFAOYSA-N 1 0 310.329 1.482 20 5 DDBDRO C[C@H](CNC(=O)COc1ccc(C=O)cc1[N+](=O)[O-])C[NH+](C)C ZINC000293985799 409220277 /nfs/dbraw/zinc/22/02/77/409220277.db2.gz XSWORCFCXQEZFC-LLVKDONJSA-N 1 0 323.349 1.100 20 5 DDBDRO C[C@@]1(C[NH3+])CCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000261934135 163731129 /nfs/dbraw/zinc/73/11/29/163731129.db2.gz IUQGBJVFKNKURY-AWEZNQCLSA-N 1 0 311.313 1.310 20 5 DDBDRO [NH3+]C[C@H]1CC[C@H](CNC(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000289271836 409241687 /nfs/dbraw/zinc/24/16/87/409241687.db2.gz PGEIDUYOWZZROP-HAQNSBGRSA-N 1 0 309.370 1.063 20 5 DDBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3F)C[C@@H]21 ZINC000262068320 163760403 /nfs/dbraw/zinc/76/04/03/163760403.db2.gz FVGOCVPNNQQEPJ-DUFXMDAXSA-N 1 0 307.325 1.933 20 5 DDBDRO Cc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)CC2 ZINC000284108246 409276489 /nfs/dbraw/zinc/27/64/89/409276489.db2.gz NFLCIBYGDZCHFD-BXKDBHETSA-N 1 0 316.365 1.743 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H](CO)[C@@H]1CCOC1 ZINC000280289008 409285318 /nfs/dbraw/zinc/28/53/18/409285318.db2.gz MLYKVLYAPJTEON-OCCSQVGLSA-N 1 0 324.377 1.728 20 5 DDBDRO Cn1cncc1CC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000290166837 409312273 /nfs/dbraw/zinc/31/22/73/409312273.db2.gz XZCLDZBKWLVRAP-UHFFFAOYSA-N 1 0 315.377 1.693 20 5 DDBDRO CC[C@@H]([NH3+])CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000295302777 409421735 /nfs/dbraw/zinc/42/17/35/409421735.db2.gz VELNPWJDTRCPDE-LLVKDONJSA-N 1 0 306.366 1.662 20 5 DDBDRO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000295301302 409422111 /nfs/dbraw/zinc/42/21/11/409422111.db2.gz BAYCGMBQQCINMP-ZDUSSCGKSA-N 1 0 323.397 1.418 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000296105832 409432034 /nfs/dbraw/zinc/43/20/34/409432034.db2.gz GYIPOHRGZYPOGJ-JTQLQIEISA-N 1 0 308.338 1.677 20 5 DDBDRO Cc1noc(C)c1C(C)(C)[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000285517059 409475452 /nfs/dbraw/zinc/47/54/52/409475452.db2.gz DTHPBUOSPCBJBK-UHFFFAOYSA-N 1 0 320.349 1.886 20 5 DDBDRO Cc1nn(CCC(=O)N2CC[N@@H+](C)CC[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000354007556 409596240 /nfs/dbraw/zinc/59/62/40/409596240.db2.gz QNFNCIDYEPSWPI-LLVKDONJSA-N 1 0 323.397 1.351 20 5 DDBDRO Cc1[nH]nc(C(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)c1[N+](=O)[O-] ZINC000349022606 409652323 /nfs/dbraw/zinc/65/23/23/409652323.db2.gz ANCDYUUVEVNACD-SECBINFHSA-N 1 0 316.321 1.090 20 5 DDBDRO Cc1cccc(C(=O)N[C@H](CC[NH3+])C(F)(F)F)c1[N+](=O)[O-] ZINC000307824845 409782312 /nfs/dbraw/zinc/78/23/12/409782312.db2.gz SZPYOZOHURGHKD-SECBINFHSA-N 1 0 305.256 1.913 20 5 DDBDRO CC[N@@H+]1C[C@@H](C)N(CCn2cc([N+](=O)[O-])ccc2=O)C[C@@H]1C ZINC000346185040 409850414 /nfs/dbraw/zinc/85/04/14/409850414.db2.gz GNBHNVMYNZQDTE-QWHCGFSZSA-N 1 0 308.382 1.171 20 5 DDBDRO CC[N@H+](CCNC(=O)c1cc([N+](=O)[O-])ccc1OC)C1CC1 ZINC000338434503 409987278 /nfs/dbraw/zinc/98/72/78/409987278.db2.gz DFCDDBVDXLFVIN-UHFFFAOYSA-N 1 0 307.350 1.818 20 5 DDBDRO CNS(=O)(=O)CCC[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000338344303 409926870 /nfs/dbraw/zinc/92/68/70/409926870.db2.gz AEWFTEVJGSTKIF-UHFFFAOYSA-N 1 0 315.395 1.008 20 5 DDBDRO CN(Cc1nc(-c2c([N+](=O)[O-])ncn2C)no1)[C@@H]1CCSC1 ZINC000350893560 410009410 /nfs/dbraw/zinc/00/94/10/410009410.db2.gz WZKCTRRKCPKYDU-MRVPVSSYSA-N 1 0 324.366 1.316 20 5 DDBDRO COC(=O)[C@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000346609484 410034546 /nfs/dbraw/zinc/03/45/46/410034546.db2.gz CZPGRZWINQMHCX-RISCZKNCSA-N 1 0 308.334 1.857 20 5 DDBDRO CN1CCO[C@@H](c2nc(-c3ccc(N)c([N+](=O)[O-])c3)no2)C1 ZINC000351182860 410042893 /nfs/dbraw/zinc/04/28/93/410042893.db2.gz DNHGVSAVUJILJE-LLVKDONJSA-N 1 0 305.294 1.230 20 5 DDBDRO Cc1cc(NC(=O)C(=O)NCC[N@@H+](C)C2CC2)ccc1[N+](=O)[O-] ZINC000298250539 410152805 /nfs/dbraw/zinc/15/28/05/410152805.db2.gz UBZGETLSXHXEOO-UHFFFAOYSA-N 1 0 320.349 1.052 20 5 DDBDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000357916703 410325046 /nfs/dbraw/zinc/32/50/46/410325046.db2.gz WSEVJZYYJYOOAN-LBPRGKRZSA-N 1 0 323.397 1.713 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1C[C@@H](C)[NH+](C)[C@H](C)C1 ZINC000339620087 410333673 /nfs/dbraw/zinc/33/36/73/410333673.db2.gz TZQQXFLKQKIVPJ-CHWSQXEVSA-N 1 0 320.393 1.866 20 5 DDBDRO Cc1c(NC(=O)CC[N@H+]2C[C@H](C)[C@H](O)C2)cccc1[N+](=O)[O-] ZINC000351934581 410349671 /nfs/dbraw/zinc/34/96/71/410349671.db2.gz IMWYPIVTIAYWBR-IINYFYTJSA-N 1 0 307.350 1.544 20 5 DDBDRO C[C@H]([NH3+])[C@H]1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000351854865 410293166 /nfs/dbraw/zinc/29/31/66/410293166.db2.gz SADPEAIPIWQGCL-JQWIXIFHSA-N 1 0 317.349 1.814 20 5 DDBDRO C[C@H](c1nncn1C)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000346993220 410295212 /nfs/dbraw/zinc/29/52/12/410295212.db2.gz IRDFXTRYNRDOCV-MNOVXSKESA-N 1 0 317.353 1.366 20 5 DDBDRO O=C(NCCC[NH+]1CCC(O)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000298715822 410362675 /nfs/dbraw/zinc/36/26/75/410362675.db2.gz YRGFPOIAXUFAEM-UHFFFAOYSA-N 1 0 322.365 1.563 20 5 DDBDRO COC(=O)[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000298776305 410393836 /nfs/dbraw/zinc/39/38/36/410393836.db2.gz DCVSZQLNBCNSEK-NSHDSACASA-N 1 0 321.333 1.418 20 5 DDBDRO C[C@@H]1[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2F)CCC[N@@H+]1C ZINC000343437281 410450315 /nfs/dbraw/zinc/45/03/15/410450315.db2.gz KYKOCKJMZVDLRB-QMTHXVAHSA-N 1 0 309.341 1.875 20 5 DDBDRO CC[N@@H+]1CC[C@@H]2OCCN(C(=O)c3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000355373633 410476012 /nfs/dbraw/zinc/47/60/12/410476012.db2.gz ULJOLMVAHWISJQ-CABCVRRESA-N 1 0 319.361 1.530 20 5 DDBDRO C[C@@H]1[C@H](NC(=O)CN(C)c2ccccc2[N+](=O)[O-])CCC[N@@H+]1C ZINC000343472002 410476317 /nfs/dbraw/zinc/47/63/17/410476317.db2.gz ZGDWPQBAXGHDIO-CHWSQXEVSA-N 1 0 320.393 1.630 20 5 DDBDRO C[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CCCOC1 ZINC000352186864 410534723 /nfs/dbraw/zinc/53/47/23/410534723.db2.gz OJQDLPLIFVPMMG-KBPBESRZSA-N 1 0 310.350 1.445 20 5 DDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339953020 410572373 /nfs/dbraw/zinc/57/23/73/410572373.db2.gz MQVOTKDXQMPIBH-RYUDHWBXSA-N 1 0 318.377 1.993 20 5 DDBDRO O=C(CN1C[C@H]2C[NH2+]C[C@H]2C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000359307198 410591994 /nfs/dbraw/zinc/59/19/94/410591994.db2.gz NAQYAWDEGXFKDZ-AOOOYVTPSA-N 1 0 324.768 1.338 20 5 DDBDRO CCOc1cc(N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)ccc1[N+](=O)[O-] ZINC000579935188 422859132 /nfs/dbraw/zinc/85/91/32/422859132.db2.gz PYMQBFCQTDSNTL-GJZGRUSLSA-N 1 0 321.377 1.903 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H]1CCCC[C@H]1OC(F)F ZINC000337377690 410743839 /nfs/dbraw/zinc/74/38/39/410743839.db2.gz BVACXJHVOZRRKW-PSASIEDQSA-N 1 0 304.297 1.968 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@]1(OC)CCOC1 ZINC000359638051 410785967 /nfs/dbraw/zinc/78/59/67/410785967.db2.gz PTPGBBUTTQWWHI-OAHLLOKOSA-N 1 0 310.350 1.889 20 5 DDBDRO C[C@@H]1[C@@H](CO)CC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337478270 410814332 /nfs/dbraw/zinc/81/43/32/410814332.db2.gz UFCUVYKRIREALX-VXGBXAGGSA-N 1 0 307.350 1.626 20 5 DDBDRO C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000348288524 410900288 /nfs/dbraw/zinc/90/02/88/410900288.db2.gz WMCXNNYDUBSTDS-FBIMIBRVSA-N 1 0 322.287 1.425 20 5 DDBDRO CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000359947546 410964827 /nfs/dbraw/zinc/96/48/27/410964827.db2.gz BSOFMWVIXBKDJG-SNVBAGLBSA-N 1 0 308.338 1.300 20 5 DDBDRO Cn1cc([N+](=O)[O-])c(C(=O)NCC[N@@H+]2CCCC(C)(C)C2)n1 ZINC000331289826 411060586 /nfs/dbraw/zinc/06/05/86/411060586.db2.gz JKIVNEPSAIPXTK-UHFFFAOYSA-N 1 0 309.370 1.180 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)n1 ZINC000331208544 411016595 /nfs/dbraw/zinc/01/65/95/411016595.db2.gz PVKWYRCXJZNDRV-NSHDSACASA-N 1 0 309.370 1.225 20 5 DDBDRO C[C@@H]1C[C@@H](C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)CC[N@@H+]1C ZINC000344215506 411032254 /nfs/dbraw/zinc/03/22/54/411032254.db2.gz KVGSQMLKHXEROH-ZJUUUORDSA-N 1 0 317.349 2.140 20 5 DDBDRO Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CC2 ZINC001120560700 782023099 /nfs/dbraw/zinc/02/30/99/782023099.db2.gz HRSDDWLYFMGWOE-GDBMZVCRSA-N 1 0 316.361 1.738 20 5 DDBDRO C[C@H](NC(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000417126120 225217786 /nfs/dbraw/zinc/21/77/86/225217786.db2.gz CUILLOBNCOTKEC-FPMFFAJLSA-N 1 0 318.377 1.907 20 5 DDBDRO C[C@@H](NC(=O)NC[C@@H]1C[NH2+]CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000417128080 225218557 /nfs/dbraw/zinc/21/85/57/225218557.db2.gz HSRSXUGECMBQAS-RISCZKNCSA-N 1 0 322.365 1.334 20 5 DDBDRO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000417232138 225257292 /nfs/dbraw/zinc/25/72/92/225257292.db2.gz LZFFDIXVFZYAPM-NWDGAFQWSA-N 1 0 306.366 1.529 20 5 DDBDRO C[C@H](CO)[C@H](C)[NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000295877177 225339680 /nfs/dbraw/zinc/33/96/80/225339680.db2.gz ZLTYKRRZFOLWKI-BDAKNGLRSA-N 1 0 315.757 1.793 20 5 DDBDRO C[C@@H]1C[NH2+][C@@H](C)CN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000420380524 226479146 /nfs/dbraw/zinc/47/91/46/226479146.db2.gz CBVIJQHCWGBNPS-WDEREUQCSA-N 1 0 317.349 1.827 20 5 DDBDRO Cc1nn(CCC(=O)N2CC[C@H](C)[C@H]([NH3+])[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000297379834 227090591 /nfs/dbraw/zinc/09/05/91/227090591.db2.gz MUNPPHQHVRKHSF-CHIMOYNISA-N 1 0 323.397 1.382 20 5 DDBDRO Cn1cc([N+](=O)[O-])c(C(=O)N2CCCC3(CC[NH+](C)CC3)C2)n1 ZINC000374100575 418488042 /nfs/dbraw/zinc/48/80/42/418488042.db2.gz FJURYTLNSVZADW-UHFFFAOYSA-N 1 0 321.381 1.276 20 5 DDBDRO CCC[N@@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1 ZINC000374850402 418568821 /nfs/dbraw/zinc/56/88/21/418568821.db2.gz LOZRRATYLGWPCI-UHFFFAOYSA-N 1 0 324.356 1.874 20 5 DDBDRO CN(CCC[NH+]1CCCC1)c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290899035 222004973 /nfs/dbraw/zinc/00/49/73/222004973.db2.gz DWPSWMRGDCBZBZ-UHFFFAOYSA-N 1 0 307.354 1.011 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)n1 ZINC000191655446 222106475 /nfs/dbraw/zinc/10/64/75/222106475.db2.gz QMPRDMSFWFMXNQ-GHMZBOCLSA-N 1 0 309.370 1.414 20 5 DDBDRO CCCc1n[nH]c(C(=O)N[C@@H]2C[C@@H]2C2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC000361094838 418582402 /nfs/dbraw/zinc/58/24/02/418582402.db2.gz HPAOUIKEASJHPK-ZYHUDNBSSA-N 1 0 321.381 1.388 20 5 DDBDRO C[NH+](C)CCOCCNc1nc2ccccc2cc1[N+](=O)[O-] ZINC000352360402 418644558 /nfs/dbraw/zinc/64/45/58/418644558.db2.gz NDFOJETWDNOUPD-UHFFFAOYSA-N 1 0 304.350 2.133 20 5 DDBDRO O=C(CC[N@H+]1C[C@H]2[C@H](CO)[C@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000367849068 418645540 /nfs/dbraw/zinc/64/55/40/418645540.db2.gz LDLSXUFFZUUVSD-WDNDVIMCSA-N 1 0 305.334 1.094 20 5 DDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000367888856 418652946 /nfs/dbraw/zinc/65/29/46/418652946.db2.gz ZDBQZLCPIQNPTP-LLVKDONJSA-N 1 0 318.377 1.924 20 5 DDBDRO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1C[C@@H]1[N+](=O)[O-] ZINC000375668207 418670784 /nfs/dbraw/zinc/67/07/84/418670784.db2.gz DNOMXMNIDZOPBW-KKUMJFAQSA-N 1 0 303.362 1.290 20 5 DDBDRO O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000368104215 418690559 /nfs/dbraw/zinc/69/05/59/418690559.db2.gz CPHBPCHFANCPHN-KOLCDFICSA-N 1 0 320.305 1.185 20 5 DDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000368182956 418700454 /nfs/dbraw/zinc/70/04/54/418700454.db2.gz GPEAMDNQWJMYDF-GXFFZTMASA-N 1 0 309.753 1.611 20 5 DDBDRO CCO[C@H]1COCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000362019685 418739913 /nfs/dbraw/zinc/73/99/13/418739913.db2.gz VOSBJXDNBKUJSD-ZFWWWQNUSA-N 1 0 310.350 1.887 20 5 DDBDRO Cn1cc([N+](=O)[O-])c(C(=O)N2CCC([NH2+]C3CCCC3)CC2)n1 ZINC000362032562 418742292 /nfs/dbraw/zinc/74/22/92/418742292.db2.gz NOHQXLZBTVMLQQ-UHFFFAOYSA-N 1 0 321.381 1.465 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCC(c2c[nH]cn2)CC1 ZINC000362064105 418747718 /nfs/dbraw/zinc/74/77/18/418747718.db2.gz PJIZUDSWTHYSEY-UHFFFAOYSA-N 1 0 317.349 1.359 20 5 DDBDRO Cc1ccc(N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c([N+](=O)[O-])c1 ZINC000371824947 418819941 /nfs/dbraw/zinc/81/99/41/418819941.db2.gz OMPFAQCDCLVCIA-ZBFHGGJFSA-N 1 0 305.378 1.939 20 5 DDBDRO Nc1ccc(C(=O)N2CC[C@@]3(CCC[C@H]3[NH3+])C2)cc1[N+](=O)[O-] ZINC000372777296 418900753 /nfs/dbraw/zinc/90/07/53/418900753.db2.gz UNCLBLGMNPFRSY-HIFRSBDPSA-N 1 0 304.350 1.521 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H]1CCCC[C@@H]1n1cccn1 ZINC000372268923 418849663 /nfs/dbraw/zinc/84/96/63/418849663.db2.gz USSJRNJYJVIXGD-NEPJUHHUSA-N 1 0 304.354 1.798 20 5 DDBDRO COC(=O)[C@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)CC12CCC2 ZINC000373184990 418931109 /nfs/dbraw/zinc/93/11/09/418931109.db2.gz YBYUHESSBVYYAU-GFCCVEGCSA-N 1 0 308.338 1.066 20 5 DDBDRO [NH3+][C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)C[C@H]1c1ccccc1F ZINC000424035678 228221824 /nfs/dbraw/zinc/22/18/24/228221824.db2.gz FXNMIARYOIYUQC-CMPLNLGQSA-N 1 0 319.292 1.894 20 5 DDBDRO C[C@@H]1C[C@@H](C)N(C(=O)CNc2ccccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000424079099 228225346 /nfs/dbraw/zinc/22/53/46/228225346.db2.gz UBWHHYFVBNAEML-JHJVBQTASA-N 1 0 320.393 1.839 20 5 DDBDRO CNC(=O)[C@H]1CC[N@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000420975176 419397509 /nfs/dbraw/zinc/39/75/09/419397509.db2.gz NUVULYASXZUUSE-NSHDSACASA-N 1 0 323.349 1.050 20 5 DDBDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000417942521 419404116 /nfs/dbraw/zinc/40/41/16/419404116.db2.gz OEMJOMZVJZMTSQ-YPMHNXCESA-N 1 0 306.366 1.516 20 5 DDBDRO C[C@@H]1C[C@@H](CO)C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000420948118 419375871 /nfs/dbraw/zinc/37/58/71/419375871.db2.gz VJWNIIKPZQWSPE-NFAWXSAZSA-N 1 0 324.377 1.285 20 5 DDBDRO [NH3+]CCCCNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000417995204 419460096 /nfs/dbraw/zinc/46/00/96/419460096.db2.gz RRVHRGUAZGCFTF-UHFFFAOYSA-N 1 0 314.773 1.829 20 5 DDBDRO Cc1c(CNC(=O)N2C[C@H](C[NH3+])C[C@H]2C)cccc1[N+](=O)[O-] ZINC000418079218 419517393 /nfs/dbraw/zinc/51/73/93/419517393.db2.gz KMTJLXPTKNTYJZ-PWSUYJOCSA-N 1 0 306.366 1.782 20 5 DDBDRO COc1ccc(C[NH2+][C@H]2CCc3nnnn3CC2)cc1[N+](=O)[O-] ZINC000421394672 419595637 /nfs/dbraw/zinc/59/56/37/419595637.db2.gz GYQQXQHGWRXKKT-NSHDSACASA-N 1 0 318.337 1.085 20 5 DDBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000421706856 419692752 /nfs/dbraw/zinc/69/27/52/419692752.db2.gz VYWZMLRPSXHEID-ZDUSSCGKSA-N 1 0 320.393 1.949 20 5 DDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCCC[NH2+]C1CC1 ZINC000418305466 419693509 /nfs/dbraw/zinc/69/35/09/419693509.db2.gz YSKXMBVOQOFPAI-UHFFFAOYSA-N 1 0 306.366 1.878 20 5 DDBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000421710852 419696342 /nfs/dbraw/zinc/69/63/42/419696342.db2.gz MPYIWBCGLGVTPM-NSHDSACASA-N 1 0 321.333 1.490 20 5 DDBDRO C[C@H](NC(=O)N1CCO[C@@H](C[NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC000418239853 419642428 /nfs/dbraw/zinc/64/24/28/419642428.db2.gz ZCVCTHGYAFQKDR-GWCFXTLKSA-N 1 0 308.338 1.025 20 5 DDBDRO O=[N+]([O-])c1ccc2oc(CN3CC[C@@H]4[NH2+]CC[C@@H]4C3)nc2c1 ZINC000428040007 419799610 /nfs/dbraw/zinc/79/96/10/419799610.db2.gz ULKIVHMYYCAVSV-PWSUYJOCSA-N 1 0 302.334 1.920 20 5 DDBDRO C[NH+](C)CCN(C(=O)Cn1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000299390806 229092700 /nfs/dbraw/zinc/09/27/00/229092700.db2.gz JVKFYTXMUJTYLK-UHFFFAOYSA-N 1 0 317.349 1.386 20 5 DDBDRO C[NH+](C)CCCNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000299363434 229075597 /nfs/dbraw/zinc/07/55/97/229075597.db2.gz ZNLLZEDTEJQFKI-UHFFFAOYSA-N 1 0 304.350 1.617 20 5 DDBDRO C[C@H]1C[C@@H](O)CC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000429115374 419971834 /nfs/dbraw/zinc/97/18/34/419971834.db2.gz ODOFYSSOUUSZLX-RWMBFGLXSA-N 1 0 310.350 1.180 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000415269945 420003404 /nfs/dbraw/zinc/00/34/04/420003404.db2.gz MCTWJWWGEDFUJX-LLVKDONJSA-N 1 0 320.349 1.100 20 5 DDBDRO C[C@H]1CN(Cc2c([N+](=O)[O-])ncn2C)CC[N@@H+](C2CCC2)C1 ZINC000429404342 420013853 /nfs/dbraw/zinc/01/38/53/420013853.db2.gz QDLBKENHKLSLEJ-LBPRGKRZSA-N 1 0 307.398 1.635 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000415314111 420019100 /nfs/dbraw/zinc/01/91/00/420019100.db2.gz IXIXGOJGAXTQMA-NSHDSACASA-N 1 0 320.349 1.018 20 5 DDBDRO C[C@H](C[NH3+])CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000423446861 420054496 /nfs/dbraw/zinc/05/44/96/420054496.db2.gz CVVKZWOHAXGWRX-SSDOTTSWSA-N 1 0 316.155 1.682 20 5 DDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430549476 420134107 /nfs/dbraw/zinc/13/41/07/420134107.db2.gz XUPOKQQAHXXOBS-YNEHKIRRSA-N 1 0 320.393 1.981 20 5 DDBDRO CC1(C)CN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC[NH2+]1 ZINC000423710573 420137456 /nfs/dbraw/zinc/13/74/56/420137456.db2.gz PWOVKXYTELSCAF-UHFFFAOYSA-N 1 0 314.345 1.967 20 5 DDBDRO CCOc1ccc([C@H](C)NC[C@@H]2C[NH2+]CCN2C)cc1[N+](=O)[O-] ZINC000423520760 420071529 /nfs/dbraw/zinc/07/15/29/420071529.db2.gz QFVXIMRHQWMMAU-JSGCOSHPSA-N 1 0 322.409 1.548 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000423534126 420074275 /nfs/dbraw/zinc/07/42/75/420074275.db2.gz VGJKDKVYXAFTGH-GHMZBOCLSA-N 1 0 307.350 1.803 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)CC1(O)CCOCC1 ZINC000430192183 420087977 /nfs/dbraw/zinc/08/79/77/420087977.db2.gz AUJVAONPPGMNFL-UHFFFAOYSA-N 1 0 310.350 1.577 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)C[C@@H]1CCN(C(C)=O)C1 ZINC000430209444 420090058 /nfs/dbraw/zinc/09/00/58/420090058.db2.gz XWAXUZWUEATYNV-ZDUSSCGKSA-N 1 0 321.377 1.904 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCC[C@H]1CC(N)=O ZINC000430226176 420092473 /nfs/dbraw/zinc/09/24/73/420092473.db2.gz MNTUBLDRMSCTJE-LBPRGKRZSA-N 1 0 307.350 1.833 20 5 DDBDRO O=C(C[C@@H]1C[NH2+]CCO1)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000423834770 420216937 /nfs/dbraw/zinc/21/69/37/420216937.db2.gz CUOKGXZBKCNSOV-LLVKDONJSA-N 1 0 313.741 1.243 20 5 DDBDRO C[C@H]1CN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC[C@@H]1[NH3+] ZINC000430929732 420211343 /nfs/dbraw/zinc/21/13/43/420211343.db2.gz QAGWQESPYJLSLP-FZMZJTMJSA-N 1 0 306.366 1.227 20 5 DDBDRO CC1(C)CCC[NH2+][C@H]1CNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000430589595 420149687 /nfs/dbraw/zinc/14/96/87/420149687.db2.gz INJCXSLGYPUNGG-LBPRGKRZSA-N 1 0 309.370 1.076 20 5 DDBDRO C[NH2+]C[C@H]1CCCN(CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000430602878 420153635 /nfs/dbraw/zinc/15/36/35/420153635.db2.gz MKPQDUUCUIBJHZ-CYBMUJFWSA-N 1 0 323.393 1.914 20 5 DDBDRO Cc1cc(NC[C@H]2C[NH2+]C[C@H]2O)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420243165 420166139 /nfs/dbraw/zinc/16/61/39/420166139.db2.gz PDOPMJFKOBUJLA-PRHODGIISA-N 1 0 319.283 1.914 20 5 DDBDRO Cc1cc(N[C@@H](C)[C@@H](C)[NH3+])nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000420273466 420177476 /nfs/dbraw/zinc/17/74/76/420177476.db2.gz XMXFSAUERMZGAD-MNOVXSKESA-N 1 0 301.350 1.930 20 5 DDBDRO C[C@@H]1CN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC[NH2+]1 ZINC000420331249 420216281 /nfs/dbraw/zinc/21/62/81/420216281.db2.gz DRZFFAYHHJETTD-LLVKDONJSA-N 1 0 320.349 1.187 20 5 DDBDRO C[C@H](O)C[NH+]1CCN(c2ccnc3c2cccc3[N+](=O)[O-])CC1 ZINC000432141705 420241845 /nfs/dbraw/zinc/24/18/45/420241845.db2.gz AUFBJHKWGXLPTG-LBPRGKRZSA-N 1 0 316.361 1.646 20 5 DDBDRO C[N@@H+]1CC[C@](O)(CN[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000433228308 420250901 /nfs/dbraw/zinc/25/09/01/420250901.db2.gz OJZOZNGWYMZMKJ-WBVHZDCISA-N 1 0 319.405 1.973 20 5 DDBDRO CCC[N@@H+]1CC[C@@H](CNc2c(C(N)=O)cccc2[N+](=O)[O-])C1 ZINC000420581447 420322565 /nfs/dbraw/zinc/32/25/65/420322565.db2.gz GYJFMDNIKZYOLF-NSHDSACASA-N 1 0 306.366 1.838 20 5 DDBDRO CC(C)[C@@H]([NH3+])CNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000420445064 420291387 /nfs/dbraw/zinc/29/13/87/420291387.db2.gz HKJYSJCXUROGFK-ZDUSSCGKSA-N 1 0 315.395 1.040 20 5 DDBDRO Cc1ccc(S(=O)(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000420454697 420297793 /nfs/dbraw/zinc/29/77/93/420297793.db2.gz WOLPCOCQUGDIJG-GHMZBOCLSA-N 1 0 313.379 1.309 20 5 DDBDRO CC[C@H]([NH3+])CNS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000420469386 420304877 /nfs/dbraw/zinc/30/48/77/420304877.db2.gz PFGZJCGTKAYBTQ-JTQLQIEISA-N 1 0 301.368 1.227 20 5 DDBDRO C[C@@H](CO)[C@H](C)[NH2+]CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000450739308 420518900 /nfs/dbraw/zinc/51/89/00/420518900.db2.gz QCAWYICBSMSIDI-QWRGUYRKSA-N 1 0 323.349 1.499 20 5 DDBDRO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000442132922 420670448 /nfs/dbraw/zinc/67/04/48/420670448.db2.gz QKSDANHFBDIYED-PWSUYJOCSA-N 1 0 320.349 1.132 20 5 DDBDRO COCC[C@]1([NH2+]CCOc2ccccc2[N+](=O)[O-])CCOC1 ZINC000447405194 420772143 /nfs/dbraw/zinc/77/21/43/420772143.db2.gz WTYAGIZDVVZNJP-HNNXBMFYSA-N 1 0 310.350 1.759 20 5 DDBDRO C[C@@H]1C[C@H](C[NH3+])CN1[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000442757059 420707660 /nfs/dbraw/zinc/70/76/60/420707660.db2.gz GAHNKSDHRVTHBP-LALPHHSUSA-N 1 0 318.377 1.369 20 5 DDBDRO C[C@H]1C[C@H](C[NH3+])CN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000442777262 420713670 /nfs/dbraw/zinc/71/36/70/420713670.db2.gz IQKVSHOXINXLKA-WDEREUQCSA-N 1 0 317.349 1.814 20 5 DDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCN2CCCC2)n1 ZINC000447522443 420779325 /nfs/dbraw/zinc/77/93/25/420779325.db2.gz YRSXBJKYRKTBIX-UONOGXRCSA-N 1 0 307.398 1.960 20 5 DDBDRO CN1CCC[C@@H]1C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447562775 420782362 /nfs/dbraw/zinc/78/23/62/420782362.db2.gz NBKUJHWAJQTXOG-MCIONIFRSA-N 1 0 307.398 1.959 20 5 DDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000449201334 420968971 /nfs/dbraw/zinc/96/89/71/420968971.db2.gz IMHREPYVZUDMPX-GJZGRUSLSA-N 1 0 317.389 1.985 20 5 DDBDRO [NH3+]C1CCC(OCC(=O)N2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000449278619 420982470 /nfs/dbraw/zinc/98/24/70/420982470.db2.gz KXUPDLQWCJNQDT-UHFFFAOYSA-N 1 0 319.361 1.770 20 5 DDBDRO CNc1nc(C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000455667259 421051503 /nfs/dbraw/zinc/05/15/03/421051503.db2.gz QDHNQBOSDJAKMX-LLVKDONJSA-N 1 0 321.381 1.445 20 5 DDBDRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000488357851 421085150 /nfs/dbraw/zinc/08/51/50/421085150.db2.gz QFCSTNSJFLIXKU-IUODEOHRSA-N 1 0 305.378 1.793 20 5 DDBDRO CNc1nc(C(=O)N(C)CC2([NH+](C)C)CCC2)ccc1[N+](=O)[O-] ZINC000456019365 421090214 /nfs/dbraw/zinc/09/02/14/421090214.db2.gz FUIHWDPPXDESOI-UHFFFAOYSA-N 1 0 321.381 1.588 20 5 DDBDRO O=[N+]([O-])c1cnc(NC[C@@H]2CCCCN2CCO)c(Cl)c1 ZINC000450608499 421217269 /nfs/dbraw/zinc/21/72/69/421217269.db2.gz DKUCBRSWAJQOOX-JTQLQIEISA-N 1 0 314.773 1.902 20 5 DDBDRO COc1cccc(C(=O)NC[C@@H]2CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000559823907 421226705 /nfs/dbraw/zinc/22/67/05/421226705.db2.gz PAOFLCUBUYYQQA-NSHDSACASA-N 1 0 307.350 1.675 20 5 DDBDRO CC(C)(C)[N@@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000546088571 421284351 /nfs/dbraw/zinc/28/43/51/421284351.db2.gz RTXNPKBZMKBHFN-UHFFFAOYSA-N 1 0 321.381 1.518 20 5 DDBDRO C[C@@]1(CO)CCC[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000546103885 421285076 /nfs/dbraw/zinc/28/50/76/421285076.db2.gz BBMPGVLNBVVJCG-HNNXBMFYSA-N 1 0 308.334 1.808 20 5 DDBDRO CC[NH+]1C[C@H](C)N(C(=O)c2c([N+](=O)[O-])c(C)nn2C)[C@@H](C)C1 ZINC000561810885 421335816 /nfs/dbraw/zinc/33/58/16/421335816.db2.gz MXYJRYNLZLEFMR-UWVGGRQHSA-N 1 0 309.370 1.191 20 5 DDBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC000547754784 421363828 /nfs/dbraw/zinc/36/38/28/421363828.db2.gz CTRIDWYOQRTNCV-PHIMTYICSA-N 1 0 309.370 1.416 20 5 DDBDRO CO[C@H](C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000562998234 421436293 /nfs/dbraw/zinc/43/62/93/421436293.db2.gz CXQSQLOKPYPIEJ-UKRRQHHQSA-N 1 0 310.350 1.349 20 5 DDBDRO Cc1noc(C)c1[C@H](C)C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000515832319 421518049 /nfs/dbraw/zinc/51/80/49/421518049.db2.gz RQMFCZUHHQAGFX-NOZJJQNGSA-N 1 0 323.353 1.150 20 5 DDBDRO COc1ccc(CC(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000563102874 421456216 /nfs/dbraw/zinc/45/62/16/421456216.db2.gz GCXDXHPHPOADEK-AAEUAGOBSA-N 1 0 321.377 1.732 20 5 DDBDRO Cc1ccc(C(=O)NC[C@@]2(O)C[NH+]3CCC2CC3)cc1[N+](=O)[O-] ZINC000552208563 421579939 /nfs/dbraw/zinc/57/99/39/421579939.db2.gz RVNUTAAKSUREGH-MRXNPFEDSA-N 1 0 319.361 1.090 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[NH2+]C[C@H](O)Cc2cccc(Cl)c2)c1 ZINC000564442259 421586920 /nfs/dbraw/zinc/58/69/20/421586920.db2.gz CRGOHOIUHSVBGJ-CQSZACIVSA-N 1 0 324.768 1.638 20 5 DDBDRO COc1ccc(CC(=O)N2CC[NH+]3CCC2CC3)cc1[N+](=O)[O-] ZINC000530345430 421595628 /nfs/dbraw/zinc/59/56/28/421595628.db2.gz WPDIRFVTSOAFNY-UHFFFAOYSA-N 1 0 319.361 1.453 20 5 DDBDRO O=[N+]([O-])c1cccnc1N1CC[NH+](C[C@H]2CCCC[C@H]2O)CC1 ZINC000517376150 421611922 /nfs/dbraw/zinc/61/19/22/421611922.db2.gz JAOKSGDUEQFAAW-UKRRQHHQSA-N 1 0 320.393 1.663 20 5 DDBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000520366850 421747161 /nfs/dbraw/zinc/74/71/61/421747161.db2.gz IUZCQOXOYSTCJD-NEPJUHHUSA-N 1 0 308.382 1.784 20 5 DDBDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000541857755 421809101 /nfs/dbraw/zinc/80/91/01/421809101.db2.gz XFHDOEKXXZVCRS-NSHDSACASA-N 1 0 306.366 1.637 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@H](c2ccncc2)C1 ZINC000581139309 421908431 /nfs/dbraw/zinc/90/84/31/421908431.db2.gz ARDKMDVHDBZFPA-AWEZNQCLSA-N 1 0 314.345 1.641 20 5 DDBDRO CCc1nn(C)c(N2CC[N@@H+](C3CC3)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000574898174 422210544 /nfs/dbraw/zinc/21/05/44/422210544.db2.gz HEASUWOBIJBEAC-LLVKDONJSA-N 1 0 307.398 1.811 20 5 DDBDRO CC1(C)[C@@H](O)C[C@@H]1[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000584002015 422239730 /nfs/dbraw/zinc/23/97/30/422239730.db2.gz IVIMEYYKTNBHAW-KBPBESRZSA-N 1 0 319.361 1.233 20 5 DDBDRO COC(=O)c1cc(C(=O)N2CC[C@@H]([NH3+])C[C@H]2C)cc([N+](=O)[O-])c1 ZINC000575134215 422267079 /nfs/dbraw/zinc/26/70/79/422267079.db2.gz PJXYJOKKJFOTIQ-BXKDBHETSA-N 1 0 321.333 1.333 20 5 DDBDRO Cc1cc(NC[C@H](C)N2C[C@@H](C)O[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000594590791 422352656 /nfs/dbraw/zinc/35/26/56/422352656.db2.gz BUVDTJWJZDQZEN-RWMBFGLXSA-N 1 0 308.382 2.208 20 5 DDBDRO C[N@@H+]1CCN(c2ncc([N+](=O)[O-])c(N)n2)CC12CCCCC2 ZINC000596251782 422371785 /nfs/dbraw/zinc/37/17/85/422371785.db2.gz XYUCSMSXBCZGPA-UHFFFAOYSA-N 1 0 306.370 1.422 20 5 DDBDRO Nc1n[nH]c(C2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000590600124 422322805 /nfs/dbraw/zinc/32/28/05/422322805.db2.gz JDXSMHPUBQERFZ-UHFFFAOYSA-N 1 0 302.338 1.675 20 5 DDBDRO O=[N+]([O-])c1cnc2ccc(NC[C@H]3CC[N@@H+]3C3CCCC3)nn21 ZINC000599164058 422402691 /nfs/dbraw/zinc/40/26/91/422402691.db2.gz IUZFWPGKDPPXFG-GFCCVEGCSA-N 1 0 316.365 2.066 20 5 DDBDRO Nc1cccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1 ZINC000577752631 422422216 /nfs/dbraw/zinc/42/22/16/422422216.db2.gz IOHKMBNBOAYELL-UHFFFAOYSA-N 1 0 313.361 1.894 20 5 DDBDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)NCc3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000578884249 422669494 /nfs/dbraw/zinc/66/94/94/422669494.db2.gz WHEBMULGBAYNNT-DZGCQCFKSA-N 1 0 318.377 1.830 20 5 DDBDRO O=C(/C=C\c1ccccc1[N+](=O)[O-])N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000320620194 271026181 /nfs/dbraw/zinc/02/61/81/271026181.db2.gz DVLVIHLFDOZEGU-QJTIAFMVSA-N 1 0 301.346 1.818 20 5 DDBDRO COc1cc(C[NH2+]C[C@](C)(O)C2CC2)c([N+](=O)[O-])cc1OC ZINC000344415049 272019826 /nfs/dbraw/zinc/01/98/26/272019826.db2.gz YRSMGCQDFPGUEX-HNNXBMFYSA-N 1 0 310.350 1.863 20 5 DDBDRO C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000345923102 272366286 /nfs/dbraw/zinc/36/62/86/272366286.db2.gz QJPUVYDDXVDPQP-STQMWFEESA-N 1 0 320.393 1.996 20 5 DDBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])cnc2C)C[C@H]1C ZINC000345924843 272366653 /nfs/dbraw/zinc/36/66/53/272366653.db2.gz SAIMDUFOGUAZRS-GHMZBOCLSA-N 1 0 306.366 1.853 20 5 DDBDRO C[C@@H]1CC[NH2+][C@@H](C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000423185240 274308411 /nfs/dbraw/zinc/30/84/11/274308411.db2.gz NDWMHOWAEOTPAW-IAQYHMDHSA-N 1 0 303.362 1.868 20 5 DDBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])c3cnccc32)CC[N@@H+]1CCO ZINC000302397744 274364179 /nfs/dbraw/zinc/36/41/79/274364179.db2.gz JJDSQMJWOUWVMY-GFCCVEGCSA-N 1 0 316.361 1.646 20 5 DDBDRO CC(C)[NH2+]C1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000264962259 275656710 /nfs/dbraw/zinc/65/67/10/275656710.db2.gz NPIGSZXNEJDFLD-UHFFFAOYSA-N 1 0 306.366 1.661 20 5 DDBDRO CCn1nc(C)c([N+](=O)[O-])c1N[C@H](CO)CC[NH+](CC)CC ZINC000340915757 276101855 /nfs/dbraw/zinc/10/18/55/276101855.db2.gz XNKLMAXPAIWYLP-LBPRGKRZSA-N 1 0 313.402 1.624 20 5 DDBDRO CC[NH+]1CCN([C@@H]2CCN(c3ncc(C)cc3[N+](=O)[O-])C2)CC1 ZINC000266176333 276199016 /nfs/dbraw/zinc/19/90/16/276199016.db2.gz AYTFVJJYCXPBSX-CQSZACIVSA-N 1 0 319.409 1.514 20 5 DDBDRO C[NH+](C)[C@H]1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000486932210 276874365 /nfs/dbraw/zinc/87/43/65/276874365.db2.gz USARCICMODUAPH-LBPRGKRZSA-N 1 0 303.322 1.785 20 5 DDBDRO C[N@@H+]1CC[C@H]2OCCN(C(=O)c3ccc(F)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000408056062 277179857 /nfs/dbraw/zinc/17/98/57/277179857.db2.gz CIYUCHIIYSYRMJ-ZIAGYGMSSA-N 1 0 323.324 1.279 20 5 DDBDRO CNC(=O)c1ccc(N2CCC[C@@H]([NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000277139842 277258806 /nfs/dbraw/zinc/25/88/06/277258806.db2.gz JXUKANMHUBDQBX-CYBMUJFWSA-N 1 0 320.393 1.875 20 5 DDBDRO CO[C@H]1CCN(C(=O)c2ccc(C)c([N+](=O)[O-])c2)[C@@H](C[NH3+])C1 ZINC000262365918 277742163 /nfs/dbraw/zinc/74/21/63/277742163.db2.gz WZEDULYJJYPRFT-OLZOCXBDSA-N 1 0 307.350 1.482 20 5 DDBDRO CS(=O)(=O)CCCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000185209623 278105233 /nfs/dbraw/zinc/10/52/33/278105233.db2.gz VPVSKNYNJYOJIF-UHFFFAOYSA-N 1 0 300.380 1.899 20 5 DDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1(S(C)(=O)=O)CC1 ZINC000449296103 278298581 /nfs/dbraw/zinc/29/85/81/278298581.db2.gz XVLCHMXURLQPIG-NSHDSACASA-N 1 0 312.391 1.693 20 5 DDBDRO C[C@@H](NC(=O)NCCc1ccccc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000417767826 278325604 /nfs/dbraw/zinc/32/56/04/278325604.db2.gz RCNCYEQDIMABGI-OCCSQVGLSA-N 1 0 320.393 1.825 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000447245210 280656041 /nfs/dbraw/zinc/65/60/41/280656041.db2.gz CRPYTBURVHFXAK-PWSUYJOCSA-N 1 0 313.379 1.179 20 5 DDBDRO O=C(NCC[NH+]1CCCCCC1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000186905536 281851041 /nfs/dbraw/zinc/85/10/41/281851041.db2.gz ZDXXACGJQDOAER-UHFFFAOYSA-N 1 0 308.338 1.301 20 5 DDBDRO C[C@H](C[NH3+])N(C)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000237655073 289543696 /nfs/dbraw/zinc/54/36/96/289543696.db2.gz OQTRQZXVYLIHIL-SSDOTTSWSA-N 1 0 307.759 1.216 20 5 DDBDRO C[C@@H]1CCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H]1CO ZINC000305429850 533693616 /nfs/dbraw/zinc/69/36/16/533693616.db2.gz DLDTWSBNFQCPSW-YGRLFVJLSA-N 1 0 307.350 1.287 20 5 DDBDRO CO[C@H](C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])C(C)C ZINC000572511555 304534827 /nfs/dbraw/zinc/53/48/27/304534827.db2.gz DRZYRQJYARSURC-SWLSCSKDSA-N 1 0 312.366 1.595 20 5 DDBDRO CC[NH2+]CCCNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000572878515 304561872 /nfs/dbraw/zinc/56/18/72/304561872.db2.gz MHRRHSHWOVBLQR-UHFFFAOYSA-N 1 0 321.786 1.526 20 5 DDBDRO COC(=O)c1cc(NC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000362804442 300145182 /nfs/dbraw/zinc/14/51/82/300145182.db2.gz FLZNSQKZLGNWCZ-ZANVPECISA-N 1 0 321.333 1.518 20 5 DDBDRO O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]1C[C@@H]1[N+](=O)[O-] ZINC000363304921 300247998 /nfs/dbraw/zinc/24/79/98/300247998.db2.gz MBOLJWVVDLJXAC-ILXRZTDVSA-N 1 0 303.362 1.432 20 5 DDBDRO O=C(Cc1ccccc1[N+](=O)[O-])N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000363324523 300251908 /nfs/dbraw/zinc/25/19/08/300251908.db2.gz PQZHIGBGNIIQGF-KGLIPLIRSA-N 1 0 303.362 1.880 20 5 DDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000363564385 300282995 /nfs/dbraw/zinc/28/29/95/300282995.db2.gz TXAHQHKEHIWWFB-KBPBESRZSA-N 1 0 303.362 1.880 20 5 DDBDRO C[NH+]1CCC(Oc2cc(NC(=O)[C@@H]3CC3[N+](=O)[O-])ccn2)CC1 ZINC000364174335 300353608 /nfs/dbraw/zinc/35/36/08/300353608.db2.gz UXVIKTFDKCUKBA-OLZOCXBDSA-N 1 0 320.349 1.158 20 5 DDBDRO C[C@H](CO)[N@@H+]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000364210742 300358404 /nfs/dbraw/zinc/35/84/04/300358404.db2.gz FUQCMBKSISCLDA-GFCCVEGCSA-N 1 0 307.350 1.124 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@]2(CCC[C@@H]2[NH3+])C1 ZINC000365103652 300480628 /nfs/dbraw/zinc/48/06/28/300480628.db2.gz CYYNZLNAPMHQEH-GOEBONIOSA-N 1 0 319.361 1.947 20 5 DDBDRO CC(C)CNC(=O)[C@H](C)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365823849 300588959 /nfs/dbraw/zinc/58/89/59/300588959.db2.gz WTBXILFAUCEEEP-LBPRGKRZSA-N 1 0 323.397 1.589 20 5 DDBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3F)C[C@@H]21 ZINC000368596848 301062020 /nfs/dbraw/zinc/06/20/20/301062020.db2.gz WFOKGLZMQIUMCF-HZMBPMFUSA-N 1 0 307.325 1.900 20 5 DDBDRO O=C1NCCCC[C@H]1[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369012308 301119651 /nfs/dbraw/zinc/11/96/51/301119651.db2.gz UWTKDQWGXVZDII-DGCLKSJQSA-N 1 0 307.354 1.097 20 5 DDBDRO Nc1ccc([N+](=O)[O-])c(N2CCC[N@@H+](C3CCOCC3)CC2)c1 ZINC000376763352 302099635 /nfs/dbraw/zinc/09/96/35/302099635.db2.gz FGOVPQVBKZZZPC-UHFFFAOYSA-N 1 0 320.393 1.868 20 5 DDBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000377755599 302226747 /nfs/dbraw/zinc/22/67/47/302226747.db2.gz INTYDCHAMFFYMQ-LSDHHAIUSA-N 1 0 303.362 1.847 20 5 DDBDRO CC1(C)CC[C@H](C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])O1 ZINC000515167042 302766966 /nfs/dbraw/zinc/76/69/66/302766966.db2.gz ZKSLSARYJUGAKV-QWHCGFSZSA-N 1 0 324.377 1.882 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCCC[C@H]1C[NH+](C)C ZINC000519142354 302834407 /nfs/dbraw/zinc/83/44/07/302834407.db2.gz IRXQOVMSRDDWBL-ZDUSSCGKSA-N 1 0 323.397 1.433 20 5 DDBDRO COC(=O)CC1([NH2+]Cc2c([N+](=O)[O-])ncn2C)CCCCC1 ZINC000533068026 303306786 /nfs/dbraw/zinc/30/67/86/303306786.db2.gz VRXWFVDRQGKNNU-UHFFFAOYSA-N 1 0 310.354 1.684 20 5 DDBDRO C[C@H](O)[C@H]1CCC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000533539688 303320885 /nfs/dbraw/zinc/32/08/85/303320885.db2.gz GTLRIYNNDSIICG-KCQAQPDRSA-N 1 0 324.377 1.427 20 5 DDBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000364800930 307051637 /nfs/dbraw/zinc/05/16/37/307051637.db2.gz VAQDHQJEYFUBOG-OCCSQVGLSA-N 1 0 318.377 1.607 20 5 DDBDRO C[C@@H]1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC12CCC2 ZINC000371440810 307149657 /nfs/dbraw/zinc/14/96/57/307149657.db2.gz UIFZCKVGGOWFDQ-OCCSQVGLSA-N 1 0 308.382 1.664 20 5 DDBDRO C[C@@H]1CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC12CCC2 ZINC000371440811 307149681 /nfs/dbraw/zinc/14/96/81/307149681.db2.gz UIFZCKVGGOWFDQ-TZMCWYRMSA-N 1 0 308.382 1.664 20 5 DDBDRO C[NH+]1CCC([C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000374327919 307205897 /nfs/dbraw/zinc/20/58/97/307205897.db2.gz AGZMZNOXSKXSDH-ZDUSSCGKSA-N 1 0 318.377 1.794 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CCc2ccccn2)c1 ZINC000551974816 307813023 /nfs/dbraw/zinc/81/30/23/307813023.db2.gz LNFQIFQDKBBNPG-HNNXBMFYSA-N 1 0 317.345 1.562 20 5 DDBDRO COc1cc(C(=O)N2CC[C@H]([NH3+])C[C@H]2C)cc([N+](=O)[O-])c1C ZINC000556705684 307852161 /nfs/dbraw/zinc/85/21/61/307852161.db2.gz IUVUHAYVVYPBSF-SKDRFNHKSA-N 1 0 307.350 1.864 20 5 DDBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCC[NH2+]C1 ZINC000565411444 308030011 /nfs/dbraw/zinc/03/00/11/308030011.db2.gz SDMYADQUDSQBDB-LLVKDONJSA-N 1 0 308.338 1.025 20 5 DDBDRO COc1cc(C(=O)N2CC[C@H]([NH3+])C[C@@H]2C)cc([N+](=O)[O-])c1OC ZINC000567058540 308069764 /nfs/dbraw/zinc/06/97/64/308069764.db2.gz XLYMOZRTEIKPCK-ONGXEEELSA-N 1 0 323.349 1.564 20 5 DDBDRO CCc1noc(CC)c1C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000567684637 308089858 /nfs/dbraw/zinc/08/98/58/308089858.db2.gz NDHBTNYPCZFNKW-LLVKDONJSA-N 1 0 323.353 1.055 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000570449192 308169624 /nfs/dbraw/zinc/16/96/24/308169624.db2.gz OMEDHZUSSCQILM-VHSXEESVSA-N 1 0 310.354 1.528 20 5 DDBDRO CCCN(C(=O)c1cc([N+](=O)[O-])ccc1OC)[C@H]1CC[NH2+]C1 ZINC000572028427 308209154 /nfs/dbraw/zinc/20/91/54/308209154.db2.gz RLOSEOPDISYGQS-LBPRGKRZSA-N 1 0 307.350 1.818 20 5 DDBDRO C[C@@H](C(=O)NCCOCC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000573544268 308243725 /nfs/dbraw/zinc/24/37/25/308243725.db2.gz FJURIEUYMWNNOQ-GFCCVEGCSA-N 1 0 309.366 1.393 20 5 DDBDRO CC1(C)C[C@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000576149244 308292359 /nfs/dbraw/zinc/29/23/59/308292359.db2.gz PMUSNOBBCLFBKB-CHWSQXEVSA-N 1 0 324.377 1.882 20 5 DDBDRO O=c1c2cc([N+](=O)[O-])sc2ncn1CC[NH+]1CCCCC1 ZINC000576347140 308308299 /nfs/dbraw/zinc/30/82/99/308308299.db2.gz ZVEQYUJLLJDSEE-UHFFFAOYSA-N 1 0 308.363 1.852 20 5 DDBDRO C[C@H](CN1CCOCC1)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000577529764 308396353 /nfs/dbraw/zinc/39/63/53/308396353.db2.gz YZOQZTFUZDCTPP-IUODEOHRSA-N 1 0 305.378 1.892 20 5 DDBDRO O=[N+]([O-])c1cnc2ccc(N3CCC[C@@]4(CC[NH2+]C4)C3)nn21 ZINC000577845547 308418180 /nfs/dbraw/zinc/41/81/80/308418180.db2.gz OXZUYUARWNOQFA-AWEZNQCLSA-N 1 0 302.338 1.217 20 5 DDBDRO COc1ccc(NC(=O)CN2CC[C@@H]([NH3+])C[C@H]2C)c([N+](=O)[O-])c1 ZINC000578244965 308449022 /nfs/dbraw/zinc/44/90/22/308449022.db2.gz XDJMTCHMOYDYJT-GHMZBOCLSA-N 1 0 322.365 1.354 20 5 DDBDRO COc1ccc(CNC(=O)NCC2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000580531671 308611065 /nfs/dbraw/zinc/61/10/65/308611065.db2.gz FNJYHBUTYZBZPJ-UHFFFAOYSA-N 1 0 322.365 1.402 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000382417556 325744764 /nfs/dbraw/zinc/74/47/64/325744764.db2.gz IAIZNZHPOQDDRD-MNOVXSKESA-N 1 0 313.379 1.451 20 5 DDBDRO COc1cccc(C(=O)N[C@@H]2CC[NH2+]CC2(C)C)c1[N+](=O)[O-] ZINC000582057388 325961248 /nfs/dbraw/zinc/96/12/48/325961248.db2.gz JBLVWDMCXCHKHP-GFCCVEGCSA-N 1 0 307.350 1.721 20 5 DDBDRO C[C@@H]1COCC[N@@H+]1C1CCN(Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000582853735 337210628 /nfs/dbraw/zinc/21/06/28/337210628.db2.gz LQKSSBKHMOUVHB-GFCCVEGCSA-N 1 0 323.397 1.013 20 5 DDBDRO CC(C)Oc1nc(NC[C@@H]2CSCC[NH2+]2)ccc1[N+](=O)[O-] ZINC000603418627 483933978 /nfs/dbraw/zinc/93/39/78/483933978.db2.gz IBAIWXVBSXAMCO-SNVBAGLBSA-N 1 0 312.395 1.894 20 5 DDBDRO C[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)[NH+](C)C ZINC000451931005 534075187 /nfs/dbraw/zinc/07/51/87/534075187.db2.gz OICURYNKCHHGHO-QMMMGPOBSA-N 1 0 321.786 1.477 20 5 DDBDRO Cc1cc(C)n(CC[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)n1 ZINC000489020618 534108026 /nfs/dbraw/zinc/10/80/26/534108026.db2.gz UNAVDSMRYCSFDS-UHFFFAOYSA-N 1 0 318.381 1.942 20 5 DDBDRO C[C@@]1(C[NH3+])CCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000417930085 534265632 /nfs/dbraw/zinc/26/56/32/534265632.db2.gz AZEJZPLETKZJBB-HNNXBMFYSA-N 1 0 306.366 1.518 20 5 DDBDRO CCCNC(=O)[C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000157855274 519890249 /nfs/dbraw/zinc/89/02/49/519890249.db2.gz URGHYPCOUJIGRW-GFCCVEGCSA-N 1 0 309.370 1.030 20 5 DDBDRO CCCc1n[nH]c(C(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)c1[N+](=O)[O-] ZINC000156444287 521326837 /nfs/dbraw/zinc/32/68/37/521326837.db2.gz COPPJLYFHGEBFH-NXEZZACHSA-N 1 0 309.370 1.470 20 5 DDBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000158289285 527038075 /nfs/dbraw/zinc/03/80/75/527038075.db2.gz GHFQYOBRYFAACT-HNNXBMFYSA-N 1 0 321.402 1.899 20 5 DDBDRO CC(C)C[C@@H](C[NH3+])NC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000417239209 528302465 /nfs/dbraw/zinc/30/24/65/528302465.db2.gz ZXBFVBIROGUQLA-ZDUSSCGKSA-N 1 0 308.382 1.810 20 5 DDBDRO CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)C1COC1 ZINC000451283013 528399624 /nfs/dbraw/zinc/39/96/24/528399624.db2.gz DVRRPQIAWDWDRP-UHFFFAOYSA-N 1 0 307.350 1.953 20 5 DDBDRO CCCc1n[nH]c(C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000330890006 528549590 /nfs/dbraw/zinc/54/95/90/528549590.db2.gz BPXYYFSFWDHXDO-UWVGGRQHSA-N 1 0 309.370 1.483 20 5 DDBDRO CC(C)[C@@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)C1(CO)CCCC1 ZINC000459547277 528590114 /nfs/dbraw/zinc/59/01/14/528590114.db2.gz VXIGOZNNMLEEEZ-CYBMUJFWSA-N 1 0 310.398 1.995 20 5 DDBDRO Cc1cc(OCC(=O)NCC[N@H+]2CCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000797629528 700016874 /nfs/dbraw/zinc/01/68/74/700016874.db2.gz IJFIABWWFUKEQJ-CYBMUJFWSA-N 1 0 321.377 1.883 20 5 DDBDRO Nc1ccc(C(=O)NCC23CCC[NH+]2CCC3)cc1[N+](=O)[O-] ZINC000798251735 700052683 /nfs/dbraw/zinc/05/26/83/700052683.db2.gz ZROIHQVJPBTRDK-UHFFFAOYSA-N 1 0 304.350 1.535 20 5 DDBDRO COc1ccc(C[NH2+]C2CCS(=O)(=O)CC2)cc1[N+](=O)[O-] ZINC000036331932 696130626 /nfs/dbraw/zinc/13/06/26/696130626.db2.gz WVOSVQVAEWXNAL-UHFFFAOYSA-N 1 0 314.363 1.270 20 5 DDBDRO C[NH+]1CCC(NS(=O)(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000119359008 696680018 /nfs/dbraw/zinc/68/00/18/696680018.db2.gz RHCQUJRVZRLOLP-UHFFFAOYSA-N 1 0 305.381 1.029 20 5 DDBDRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCO1 ZINC000127798057 696774316 /nfs/dbraw/zinc/77/43/16/696774316.db2.gz MYRBRIMBRNXSTJ-PELKAZGASA-N 1 0 313.741 1.436 20 5 DDBDRO C[NH+](C)[C@@H]1CCCN(Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000152334036 696898320 /nfs/dbraw/zinc/89/83/20/696898320.db2.gz HTEYQQOUEOOATJ-CQSZACIVSA-N 1 0 303.366 1.928 20 5 DDBDRO O=C1N[C@H]2CC[N@@H+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)C[C@@H]2CO1 ZINC000799179864 700126784 /nfs/dbraw/zinc/12/67/84/700126784.db2.gz ZTBZGQUGFDAXPJ-KWCYVHTRSA-N 1 0 321.333 1.059 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@@H](c3ccccn3)C2)c1 ZINC000799191557 700127669 /nfs/dbraw/zinc/12/76/69/700127669.db2.gz NAELIFJNSVYBRE-TZMCWYRMSA-N 1 0 317.349 1.037 20 5 DDBDRO COC[C@H]1CC[N@H+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C1 ZINC000749954325 700194473 /nfs/dbraw/zinc/19/44/73/700194473.db2.gz MXFDCSDLZMVUJT-NSHDSACASA-N 1 0 305.338 1.574 20 5 DDBDRO Cc1nn(CN2CCC[C@H]([NH+](C)C)C2)c2ncc([N+](=O)[O-])cc12 ZINC000749955543 700194957 /nfs/dbraw/zinc/19/49/57/700194957.db2.gz RDEQNHGLMLQYDI-LBPRGKRZSA-N 1 0 318.381 1.631 20 5 DDBDRO C[C@@H]1CCCN(CC[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776278231 698091298 /nfs/dbraw/zinc/09/12/98/698091298.db2.gz SMJWRJHCEFZQDU-CJNGLKHVSA-N 1 0 307.394 1.950 20 5 DDBDRO CC(=O)NC[C@H]1CCC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776580557 698120558 /nfs/dbraw/zinc/12/05/58/698120558.db2.gz WJWWKQOYHIPELB-CZUORRHYSA-N 1 0 321.377 1.476 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)CN2CC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000776581388 698120886 /nfs/dbraw/zinc/12/08/86/698120886.db2.gz INGBFWKVJNLBTM-JKSUJKDBSA-N 1 0 305.378 1.798 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCS[C@H]3COCC[C@@H]32)cc1 ZINC000776587138 698122481 /nfs/dbraw/zinc/12/24/81/698122481.db2.gz ULYPECVAELXWFB-ZNMIVQPWSA-N 1 0 324.402 1.835 20 5 DDBDRO COC(=O)[C@@]1(C)CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776586978 698122502 /nfs/dbraw/zinc/12/25/02/698122502.db2.gz RTDPGTMBFZCJDY-ZFWWWQNUSA-N 1 0 308.334 1.513 20 5 DDBDRO COC[C@]1(CNC(=O)c2cc(F)ccc2[N+](=O)[O-])CCC[NH2+]1 ZINC000262444834 698469676 /nfs/dbraw/zinc/46/96/76/698469676.db2.gz HFCQZLUFEONBFE-CQSZACIVSA-N 1 0 311.313 1.232 20 5 DDBDRO CC[NH+](CC)CCS(=O)(=O)Oc1ccccc1[N+](=O)[O-] ZINC000786934646 699181037 /nfs/dbraw/zinc/18/10/37/699181037.db2.gz PPJTTWPRELBPIM-UHFFFAOYSA-N 1 0 302.352 1.645 20 5 DDBDRO C[C@]1(CO)C[C@@H](O)CN1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000704676960 699237907 /nfs/dbraw/zinc/23/79/07/699237907.db2.gz BLUNENGNZDEQNR-ZWNOBZJWSA-N 1 0 300.742 1.566 20 5 DDBDRO C[C@@H](CN1CCOCC1)[N@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000789334034 699377825 /nfs/dbraw/zinc/37/78/25/699377825.db2.gz FUTRFFVAIWCMTP-XJKSGUPXSA-N 1 0 323.393 1.281 20 5 DDBDRO O=c1oc(-c2ccc([N+](=O)[O-])cc2)nn1CC[NH+]1CCCC1 ZINC000789967861 699427014 /nfs/dbraw/zinc/42/70/14/699427014.db2.gz SEWOBCAVTDJOBK-UHFFFAOYSA-N 1 0 304.306 1.507 20 5 DDBDRO CCCc1n[nH]c(C(=O)NC[C@@H](C)[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000731808029 699537485 /nfs/dbraw/zinc/53/74/85/699537485.db2.gz BMLHPRAXQIAIGV-LLVKDONJSA-N 1 0 323.397 1.875 20 5 DDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C[NH+](C)C)CC1 ZINC000742393261 699876452 /nfs/dbraw/zinc/87/64/52/699876452.db2.gz IBDRALNKUJECJV-UHFFFAOYSA-N 1 0 320.393 1.732 20 5 DDBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H](CO)[C@H]2CCOC2)cc1Cl ZINC000796009248 699906590 /nfs/dbraw/zinc/90/65/90/699906590.db2.gz RTHFVWJGVQFCME-NWDGAFQWSA-N 1 0 314.769 1.983 20 5 DDBDRO C[C@@H]1CCC[N@@H+]1CCNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000744350064 699946323 /nfs/dbraw/zinc/94/63/23/699946323.db2.gz PYYQNEJXNNFMHK-GFCCVEGCSA-N 1 0 307.350 1.574 20 5 DDBDRO C[C@H]1C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)Cc2ccccc21 ZINC000744385201 699947380 /nfs/dbraw/zinc/94/73/80/699947380.db2.gz MZKFFYHYVHAYNT-SWLSCSKDSA-N 1 0 316.361 1.772 20 5 DDBDRO COCC[N@H+](C)CCNC(=O)/C=C(/C)c1ccc([N+](=O)[O-])cc1 ZINC000751918868 700326513 /nfs/dbraw/zinc/32/65/13/700326513.db2.gz IEXCISVKVAWYOC-SEYXRHQNSA-N 1 0 321.377 1.693 20 5 DDBDRO O=C(OCCn1ccc([N+](=O)[O-])n1)C1CC[NH+](C2CC2)CC1 ZINC000801873574 700349381 /nfs/dbraw/zinc/34/93/81/700349381.db2.gz SMCQWZVNLZPMPQ-UHFFFAOYSA-N 1 0 308.338 1.209 20 5 DDBDRO O=[N+]([O-])c1cccc2c1CCN(C[C@@H](O)C[NH+]1CCCC1)C2 ZINC000757149465 700659321 /nfs/dbraw/zinc/65/93/21/700659321.db2.gz RSAYRCOYULUWTH-AWEZNQCLSA-N 1 0 305.378 1.410 20 5 DDBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[NH2+][C@@H](CO)C1CC1 ZINC000771805706 701331680 /nfs/dbraw/zinc/33/16/80/701331680.db2.gz TYLNDRFLEJUJGC-LBPRGKRZSA-N 1 0 321.333 1.253 20 5 DDBDRO C[NH+]1CCC(ONC(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1 ZINC000808024941 701495050 /nfs/dbraw/zinc/49/50/50/701495050.db2.gz WLFJJJPPZQMBHP-UHFFFAOYSA-N 1 0 312.301 1.072 20 5 DDBDRO [NH3+]CCCCCCNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000831132885 706640646 /nfs/dbraw/zinc/64/06/46/706640646.db2.gz MSSCYBIJFVJKGL-UHFFFAOYSA-N 1 0 308.382 1.956 20 5 DDBDRO Cc1c(C(=O)N2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000812343192 702166105 /nfs/dbraw/zinc/16/61/05/702166105.db2.gz OXPMNORUCOJSDQ-OLZOCXBDSA-N 1 0 303.362 1.927 20 5 DDBDRO COC(=O)c1cnc(N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)c([N+](=O)[O-])c1 ZINC000866206645 706648366 /nfs/dbraw/zinc/64/83/66/706648366.db2.gz FDJOIRCKPAVCPR-CMPLNLGQSA-N 1 0 320.349 1.307 20 5 DDBDRO C[C@H](Cn1cncn1)[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866249479 706657679 /nfs/dbraw/zinc/65/76/79/706657679.db2.gz KGGMYRWRMIVNHC-WDEREUQCSA-N 1 0 307.329 1.935 20 5 DDBDRO C[N@@H+]1CC[C@]2(CCN(c3nc4ccccn4c3[N+](=O)[O-])C2)C1 ZINC000813635637 702388111 /nfs/dbraw/zinc/38/81/11/702388111.db2.gz AHDHBKLIAMWTCE-HNNXBMFYSA-N 1 0 301.350 1.775 20 5 DDBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@]1(O)CCN(C)C1 ZINC000866339879 706676795 /nfs/dbraw/zinc/67/67/95/706676795.db2.gz OFILACLTLGJKSE-IAQYHMDHSA-N 1 0 311.357 1.321 20 5 DDBDRO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C[C@@]1(C)C[NH3+] ZINC000818008706 702551484 /nfs/dbraw/zinc/55/14/84/702551484.db2.gz XKGNXKRTYONHQC-BDJLRTHQSA-N 1 0 320.393 1.718 20 5 DDBDRO Cc1cc(C(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)c(N)c([N+](=O)[O-])c1 ZINC000818009611 702552206 /nfs/dbraw/zinc/55/22/06/702552206.db2.gz WNWZVJGZVYHNAR-QWRGUYRKSA-N 1 0 306.366 1.542 20 5 DDBDRO C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000818010973 702553086 /nfs/dbraw/zinc/55/30/86/702553086.db2.gz SDNYNWGIYXDFKO-GXSJLCMTSA-N 1 0 322.321 1.560 20 5 DDBDRO C[C@@H]1C[C@@H](C)N(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000818021684 702556958 /nfs/dbraw/zinc/55/69/58/702556958.db2.gz FLJQNSJHQTYGAD-CKYFFXLPSA-N 1 0 306.366 1.622 20 5 DDBDRO [NH3+]C[C@H](NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000818522584 702658076 /nfs/dbraw/zinc/65/80/76/702658076.db2.gz NAWCINUYKMXQOL-NSHDSACASA-N 1 0 315.732 1.783 20 5 DDBDRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1c1ccc([N+](=O)[O-])c2nonc21 ZINC000842046638 702663131 /nfs/dbraw/zinc/66/31/31/702663131.db2.gz FTNOBBLOPYTYCA-NXEZZACHSA-N 1 0 321.337 1.022 20 5 DDBDRO C[NH2+][C@@H](C)Cc1noc(-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1 ZINC000842622781 702744371 /nfs/dbraw/zinc/74/43/71/702744371.db2.gz QAJBTVOGYRHLBL-ZETCQYMHSA-N 1 0 307.266 1.703 20 5 DDBDRO Cc1cc(Cl)c(S(=O)(=O)N[C@@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000842783165 702773146 /nfs/dbraw/zinc/77/31/46/702773146.db2.gz VBZCCIFNSHGIMW-ZETCQYMHSA-N 1 0 307.759 1.182 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@H](CO)Cc2ccco2)c1 ZINC000843059783 702810413 /nfs/dbraw/zinc/81/04/13/702810413.db2.gz NOZGXEKNRANQIR-WBMJQRKESA-N 1 0 320.345 1.662 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H](CO)Cc2ccccc2)c1 ZINC000843072960 702813652 /nfs/dbraw/zinc/81/36/52/702813652.db2.gz HUNSSXLCGYJNLN-WBVHZDCISA-N 1 0 316.357 1.821 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@H]2CCCN(CCCO)C2)c1 ZINC000843097374 702818471 /nfs/dbraw/zinc/81/84/71/702818471.db2.gz YDBAQLYJCJKEAB-HOCLYGCPSA-N 1 0 323.393 1.065 20 5 DDBDRO [NH3+]C1(CNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CCC1 ZINC000843453661 702885184 /nfs/dbraw/zinc/88/51/84/702885184.db2.gz CWTUIGRSANSRJR-UHFFFAOYSA-N 1 0 315.732 1.927 20 5 DDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000843485720 702890967 /nfs/dbraw/zinc/89/09/67/702890967.db2.gz QJPNWFXMPSFXFR-RYUDHWBXSA-N 1 0 318.377 1.639 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(CC(=O)Nc3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000879576440 706724859 /nfs/dbraw/zinc/72/48/59/706724859.db2.gz SCGJMWIDCQPDKF-OCCSQVGLSA-N 1 0 318.377 1.559 20 5 DDBDRO CC1(C)C[C@@H](O)C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000879622167 706741904 /nfs/dbraw/zinc/74/19/04/706741904.db2.gz IHNSPQZQNGNIAU-OLZOCXBDSA-N 1 0 324.377 1.427 20 5 DDBDRO Cn1cc(COC(=O)C2CC[NH+](C3CC3)CC2)c([N+](=O)[O-])n1 ZINC000847785811 703466537 /nfs/dbraw/zinc/46/65/37/703466537.db2.gz XDKOOANCRSHSFT-UHFFFAOYSA-N 1 0 308.338 1.246 20 5 DDBDRO COCC[NH+]1CCC(OC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000847880940 703480173 /nfs/dbraw/zinc/48/01/73/703480173.db2.gz DBJSUNNUSCACBW-UHFFFAOYSA-N 1 0 308.334 1.862 20 5 DDBDRO CC(C)S(=O)(=O)CC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000848550094 703562395 /nfs/dbraw/zinc/56/23/95/703562395.db2.gz CBQMURFNNMTZHM-ZDUSSCGKSA-N 1 0 312.391 1.995 20 5 DDBDRO COC[C@H](C)NC(=[NH2+])NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000849081811 703616508 /nfs/dbraw/zinc/61/65/08/703616508.db2.gz NTBSAJLPRSEGSC-JTQLQIEISA-N 1 0 319.365 1.767 20 5 DDBDRO Cc1c(C(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000818563454 703926841 /nfs/dbraw/zinc/92/68/41/703926841.db2.gz MJNYUULYAYUBAD-WCBMZHEXSA-N 1 0 322.321 1.621 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[NH2+]C[C@@H](O)c2ccc(F)c(F)c2)c1 ZINC000819178165 704082168 /nfs/dbraw/zinc/08/21/68/704082168.db2.gz ZOMWMWJNTBPPGP-CYBMUJFWSA-N 1 0 312.276 1.393 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H]2CCO[C@]3(CCOC3)C2)cc1 ZINC000819203169 704085739 /nfs/dbraw/zinc/08/57/39/704085739.db2.gz GSNQNEPUNBWFOE-NUEKZKHPSA-N 1 0 322.361 1.556 20 5 DDBDRO C[S@](=O)C1(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCC1 ZINC000819286438 704101069 /nfs/dbraw/zinc/10/10/69/704101069.db2.gz OFXWKMNTEINTQK-ASSNKEHSSA-N 1 0 312.391 1.519 20 5 DDBDRO COCC1(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000819325737 704107768 /nfs/dbraw/zinc/10/77/68/704107768.db2.gz GHXMWNGIDXUMTP-OAHLLOKOSA-N 1 0 324.377 1.661 20 5 DDBDRO NC(=O)[C@H]1CC[C@H](C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000819374791 704116009 /nfs/dbraw/zinc/11/60/09/704116009.db2.gz NLSGHXYGYLQPCG-HUBLWGQQSA-N 1 0 321.377 1.510 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000870977222 704188466 /nfs/dbraw/zinc/18/84/66/704188466.db2.gz JESIHCRPUASYOX-ZSBIGDGJSA-N 1 0 304.350 1.559 20 5 DDBDRO Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cc1 ZINC000871188497 704240812 /nfs/dbraw/zinc/24/08/12/704240812.db2.gz QAKIADHBLYIWOI-RRFJBIMHSA-N 1 0 303.362 1.351 20 5 DDBDRO CCC[N@@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000856073447 704512221 /nfs/dbraw/zinc/51/22/21/704512221.db2.gz QACKRPOGOBSDBN-SECBINFHSA-N 1 0 310.329 1.530 20 5 DDBDRO [NH3+]C1(CNC(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)CCC1 ZINC000857765792 704622304 /nfs/dbraw/zinc/62/23/04/704622304.db2.gz DOFYILQOTMEELA-UHFFFAOYSA-N 1 0 315.276 1.564 20 5 DDBDRO Cc1cc(C(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)c(N)c([N+](=O)[O-])c1 ZINC000832497978 706926836 /nfs/dbraw/zinc/92/68/36/706926836.db2.gz QSBHHMUPBZTZEM-WDEREUQCSA-N 1 0 306.366 1.603 20 5 DDBDRO O=[N+]([O-])c1ccc(/C=C\c2nc(N3CC[NH2+]CC3)no2)cc1 ZINC000823353821 705217974 /nfs/dbraw/zinc/21/79/74/705217974.db2.gz ULGBQCUJKSWDGA-UTCJRWHESA-N 1 0 301.306 1.558 20 5 DDBDRO CC(C)C[NH+]1CCN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000823970884 705347460 /nfs/dbraw/zinc/34/74/60/705347460.db2.gz HDUREEICAYQBHW-OAHLLOKOSA-N 1 0 321.377 1.428 20 5 DDBDRO COCC[N@@H+]1CCC[C@H]1COC(=O)c1ccc([N+](=O)[O-])n1C ZINC000861033124 705353550 /nfs/dbraw/zinc/35/35/50/705353550.db2.gz GOCCJCCNBWIVFG-NSHDSACASA-N 1 0 311.338 1.201 20 5 DDBDRO CC[N@@H+]1CCCN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000825791308 705731336 /nfs/dbraw/zinc/73/13/36/705731336.db2.gz GDNNAJGYBRMXJC-CQSZACIVSA-N 1 0 307.350 1.182 20 5 DDBDRO [NH3+][C@H]1CC=C(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000876550933 705754267 /nfs/dbraw/zinc/75/42/67/705754267.db2.gz IDQQZGZYXXMWAS-ZDUSSCGKSA-N 1 0 316.361 1.291 20 5 DDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C3CCC4(CC3)OCCO4)C2)c1 ZINC000876940991 705931471 /nfs/dbraw/zinc/93/14/71/705931471.db2.gz DBMDQWGEINDKIY-UHFFFAOYSA-N 1 0 322.365 1.770 20 5 DDBDRO C[N@@H+]1CC[C@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3F)CC[C@@H]21 ZINC000827269310 705964774 /nfs/dbraw/zinc/96/47/74/705964774.db2.gz WQWOONNHLACERH-HZMBPMFUSA-N 1 0 307.325 1.900 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)CC[C@H]21 ZINC000827320514 705975065 /nfs/dbraw/zinc/97/50/65/705975065.db2.gz RZBLQYDYIYZJMY-QMTHXVAHSA-N 1 0 307.325 1.900 20 5 DDBDRO CCn1cccc(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)c1=O ZINC000877484851 706119907 /nfs/dbraw/zinc/11/99/07/706119907.db2.gz QYHJGKNBBZWKCU-UHFFFAOYSA-N 1 0 317.349 1.466 20 5 DDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]CC[C@H](O)C(F)(F)F)C2)c1 ZINC000877526904 706131961 /nfs/dbraw/zinc/13/19/61/706131961.db2.gz NBQLSPAEQNNARE-KTOWXAHTSA-N 1 0 308.260 1.398 20 5 DDBDRO COC1([C@@H](C)[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CCOCC1 ZINC000877597985 706154645 /nfs/dbraw/zinc/15/46/45/706154645.db2.gz FJHAYQRGLMKNMS-PNESKVBLSA-N 1 0 324.381 1.669 20 5 DDBDRO CCN(CC[NH3+])C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000864615163 706213608 /nfs/dbraw/zinc/21/36/08/706213608.db2.gz XUGCOGZWYFXKFZ-UHFFFAOYSA-N 1 0 303.265 1.374 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)C[C@](C)(O)c1ccccc1 ZINC000878728336 706482889 /nfs/dbraw/zinc/48/28/89/706482889.db2.gz LTSVJDSDYLHBRT-INIZCTEOSA-N 1 0 318.377 1.939 20 5 DDBDRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000880134673 706886154 /nfs/dbraw/zinc/88/61/54/706886154.db2.gz OIYAJPRLQNJLJW-CABCVRRESA-N 1 0 318.377 1.702 20 5 DDBDRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000880134029 706886449 /nfs/dbraw/zinc/88/64/49/706886449.db2.gz LIXPZBIFJYGJHD-KGLIPLIRSA-N 1 0 318.377 1.362 20 5 DDBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000867147791 706909065 /nfs/dbraw/zinc/90/90/65/706909065.db2.gz OJTOCWCQVJXYPU-WDEREUQCSA-N 1 0 309.341 1.827 20 5 DDBDRO COc1ccc(C[NH+]2CCC3(CC2)COCCO3)cc1[N+](=O)[O-] ZINC000880542582 707011428 /nfs/dbraw/zinc/01/14/28/707011428.db2.gz HLXOVJHHXRJVFY-UHFFFAOYSA-N 1 0 322.361 1.985 20 5 DDBDRO O=C(NCC12CCC[NH+]1CCC2)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000834754414 707110346 /nfs/dbraw/zinc/11/03/46/707110346.db2.gz ASYVBKBTNNTUIK-CQSZACIVSA-N 1 0 319.361 1.373 20 5 DDBDRO O=[N+]([O-])c1c(F)nccc1N1CC[NH+](C2CCOCC2)CC1 ZINC000882049156 707478717 /nfs/dbraw/zinc/47/87/17/707478717.db2.gz LRVARIMELRURTN-UHFFFAOYSA-N 1 0 310.329 1.430 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC[C@@H]([NH2+]C3CCOCC3)C2)cn1 ZINC000882725830 707762702 /nfs/dbraw/zinc/76/27/02/707762702.db2.gz BUWHWDWPAIGLSR-CYBMUJFWSA-N 1 0 306.366 1.727 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)[NH2+]C[C@@H]2CCSC2)cc1 ZINC000873192947 707763228 /nfs/dbraw/zinc/76/32/28/707763228.db2.gz LQARHXCDRJGJCJ-ZLKJLUDKSA-N 1 0 312.391 1.332 20 5 DDBDRO Cc1cc(NC(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)ccc1[N+](=O)[O-] ZINC000873316063 707809033 /nfs/dbraw/zinc/80/90/33/707809033.db2.gz ZWGBSWZSYJWJJA-XHDPSFHLSA-N 1 0 304.350 1.976 20 5 DDBDRO C[NH2+]C[C@H]1CCCCN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000883449364 708005041 /nfs/dbraw/zinc/00/50/41/708005041.db2.gz MOQSSTKJOVPKSY-CYBMUJFWSA-N 1 0 320.393 1.997 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)c1 ZINC000897221631 708259552 /nfs/dbraw/zinc/25/95/52/708259552.db2.gz NXPCAXCOMKJUPJ-ZIAGYGMSSA-N 1 0 305.378 1.939 20 5 DDBDRO C[C@H]1C[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000897683210 708418830 /nfs/dbraw/zinc/41/88/30/708418830.db2.gz ATSMIWYWIBSXOU-XHDPSFHLSA-N 1 0 316.361 1.808 20 5 DDBDRO COc1cc(C(=O)N2CC([NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000898612765 708811306 /nfs/dbraw/zinc/81/13/06/708811306.db2.gz MWCBNYWWCZWBED-UHFFFAOYSA-N 1 0 305.334 1.524 20 5 DDBDRO CNc1c(C(=O)N2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)cccc1[N+](=O)[O-] ZINC000887927929 709167610 /nfs/dbraw/zinc/16/76/10/709167610.db2.gz OHUITSZRJZNWDY-MEDUHNTESA-N 1 0 318.377 1.660 20 5 DDBDRO C[N@@H+]1C[C@@H]2CN(C(=O)CCc3cccc([N+](=O)[O-])c3)C[C@]2(C)C1 ZINC000887930310 709168374 /nfs/dbraw/zinc/16/83/74/709168374.db2.gz CHPRYASEVUXYQI-PBHICJAKSA-N 1 0 317.389 1.938 20 5 DDBDRO CC[N@@H+]1CCCN(C(=O)CNc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000910288165 709868446 /nfs/dbraw/zinc/86/84/46/709868446.db2.gz NUBIMLHFIDMWIN-CYBMUJFWSA-N 1 0 320.393 1.949 20 5 DDBDRO C[NH+](C)CCNC(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000891599361 710245099 /nfs/dbraw/zinc/24/50/99/710245099.db2.gz JMVRHBVTJUPXFS-UHFFFAOYSA-N 1 0 317.349 1.131 20 5 DDBDRO C[N@@H+]1CC[C@@]2(CCN(c3ccc4nonc4c3[N+](=O)[O-])C2)C1 ZINC000893964400 710903131 /nfs/dbraw/zinc/90/31/31/710903131.db2.gz QMBBZVWBTSATTP-CQSZACIVSA-N 1 0 303.322 1.663 20 5 DDBDRO C[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000911737107 710958628 /nfs/dbraw/zinc/95/86/28/710958628.db2.gz YKSRXNIKCYXOTR-YUELXQCFSA-N 1 0 303.362 1.909 20 5 DDBDRO COc1cc([C@H](C)[NH2+][C@H](C)CN2CCOCC2)cc([N+](=O)[O-])c1 ZINC000903069462 711022892 /nfs/dbraw/zinc/02/28/92/711022892.db2.gz WCKLMBFPRFWKAI-OLZOCXBDSA-N 1 0 323.393 1.975 20 5 DDBDRO COc1cc([C@H](C)[NH2+]C[C@@H]2CCCNC2=O)cc([N+](=O)[O-])c1 ZINC000903184474 711058277 /nfs/dbraw/zinc/05/82/77/711058277.db2.gz CJGQZRNOMQEKHF-QWRGUYRKSA-N 1 0 307.350 1.780 20 5 DDBDRO C[C@@H]([NH2+]CCN1CCCOCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000903225780 711072559 /nfs/dbraw/zinc/07/25/59/711072559.db2.gz BAWYQSHEOADCRV-GFCCVEGCSA-N 1 0 308.382 1.550 20 5 DDBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CCN1C ZINC000903322316 711096760 /nfs/dbraw/zinc/09/67/60/711096760.db2.gz IBWAFZILHQFLEC-FZMZJTMJSA-N 1 0 306.366 1.606 20 5 DDBDRO COc1c(O)ccc(C[NH2+]CCO[C@H]2CC2(F)F)c1[N+](=O)[O-] ZINC000895356902 711492990 /nfs/dbraw/zinc/49/29/90/711492990.db2.gz UFLHHBYLOGEHRN-JTQLQIEISA-N 1 0 318.276 1.823 20 5 DDBDRO C[C@H]1[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCN1C ZINC000896555083 711749833 /nfs/dbraw/zinc/74/98/33/711749833.db2.gz YAUGWCQSIHOSGP-SWLSCSKDSA-N 1 0 319.409 1.641 20 5 DDBDRO CSc1ccc([N+](=O)[O-])cc1-c1nc(N2CC[NH2+]CC2)no1 ZINC000904740134 711888450 /nfs/dbraw/zinc/88/84/50/711888450.db2.gz CMSUDLPLDPWLKN-UHFFFAOYSA-N 1 0 321.362 1.776 20 5 DDBDRO O=[N+]([O-])c1cccc(CC[NH2+]C[C@@H](O)CCC2(O)CCC2)c1 ZINC000905192318 711964513 /nfs/dbraw/zinc/96/45/13/711964513.db2.gz ZEEHVWKZVAAZBH-HNNXBMFYSA-N 1 0 308.378 1.783 20 5 DDBDRO CN1C[C@@H](CC[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000905534637 712068993 /nfs/dbraw/zinc/06/89/93/712068993.db2.gz ZWOADPZNBUKPLD-FZMZJTMJSA-N 1 0 307.350 1.086 20 5 DDBDRO O=C(NC1CC2(C1)CC([NH2+]CC1CCC1)C2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000963792305 717907878 /nfs/dbraw/zinc/90/78/78/717907878.db2.gz WROBHMPZAROKMM-QAALLOGESA-N 1 0 307.394 1.469 20 5 DDBDRO Cc1c(C[NH2+]Cc2c3c(nn2C)CCOC3)cccc1[N+](=O)[O-] ZINC000922049221 713946658 /nfs/dbraw/zinc/94/66/58/713946658.db2.gz VNKQWLAZZPQANM-UHFFFAOYSA-N 1 0 316.361 1.999 20 5 DDBDRO COC1(OC)CC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C[C@H]1O ZINC000931641422 714147643 /nfs/dbraw/zinc/14/76/43/714147643.db2.gz FALIPGCRDOTEOH-SMDDNHRTSA-N 1 0 310.350 1.712 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CC[C@]3(CCC[NH2+]3)C2)c1 ZINC000923380664 714335313 /nfs/dbraw/zinc/33/53/13/714335313.db2.gz QQWMXRCNFIYSAG-GOEBONIOSA-N 1 0 321.377 1.162 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC[C@@]3(CCC[NH2+]3)C2)c1 ZINC000923381098 714335316 /nfs/dbraw/zinc/33/53/16/714335316.db2.gz QQWMXRCNFIYSAG-ZBFHGGJFSA-N 1 0 321.377 1.162 20 5 DDBDRO O=C1N[C@@H](C2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)CO1 ZINC000932769354 714409719 /nfs/dbraw/zinc/40/97/19/714409719.db2.gz CDHPZLFHWZMPKQ-CYBMUJFWSA-N 1 0 305.334 1.915 20 5 DDBDRO C[NH+]1CCC(OCC(=O)OCc2csc([N+](=O)[O-])c2)CC1 ZINC000923791260 714471577 /nfs/dbraw/zinc/47/15/77/714471577.db2.gz FQINFTJZUMRPCA-UHFFFAOYSA-N 1 0 314.363 1.810 20 5 DDBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CCN(C)CC[N@H+](C)CC1 ZINC000933995525 714717412 /nfs/dbraw/zinc/71/74/12/714717412.db2.gz DKHCHTIIZQWYNC-CQSZACIVSA-N 1 0 306.410 1.835 20 5 DDBDRO CSC1CC([NH2+][C@@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000925079914 714743125 /nfs/dbraw/zinc/74/31/25/714743125.db2.gz HQMOGECGDFIHSW-FFKWVLBGSA-N 1 0 312.391 1.473 20 5 DDBDRO CC[N@H+](CCO)CCNC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000935429748 715053234 /nfs/dbraw/zinc/05/32/34/715053234.db2.gz FJEUQCISPZCDKZ-CABCVRRESA-N 1 0 321.377 1.129 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000935724085 715122381 /nfs/dbraw/zinc/12/23/81/715122381.db2.gz HDDBLMDLJJRMPZ-GFCCVEGCSA-N 1 0 323.397 1.336 20 5 DDBDRO [NH3+][C@]12C[C@H]1CN(C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1)C2 ZINC001164415571 718885914 /nfs/dbraw/zinc/88/59/14/718885914.db2.gz LATGSLZNEWFAQS-XVKPBYJWSA-N 1 0 304.684 1.726 20 5 DDBDRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1ncc(F)cc1[N+](=O)[O-] ZINC001164932541 721853680 /nfs/dbraw/zinc/85/36/80/721853680.db2.gz YWSUYKXQWMYCHI-STQMWFEESA-N 1 0 323.372 1.344 20 5 DDBDRO COc1cccc([N+](=O)[O-])c1N[C@H](C)[C@H]1C[N@H+](C)CCN1C ZINC001120959084 782257581 /nfs/dbraw/zinc/25/75/81/782257581.db2.gz FLZNAZYKKRXQIA-DGCLKSJQSA-N 1 0 308.382 1.650 20 5 DDBDRO Cc1cc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c(C)s1 ZINC001022064498 734369082 /nfs/dbraw/zinc/36/90/82/734369082.db2.gz HJMPVZHFRMERQI-XJFOESAGSA-N 1 0 323.418 1.767 20 5 DDBDRO N=c1cc(C[NH3+])ccn1-c1ccc(-c2cccc([N+](=O)[O-])c2)nn1 ZINC001167693111 736182820 /nfs/dbraw/zinc/18/28/20/736182820.db2.gz XRTNYCNCCMSQMD-UHFFFAOYSA-N 1 0 322.328 1.781 20 5 DDBDRO CCOC(=O)C(F)(F)CNc1cc2c(cc1[N+](=O)[O-])C[NH2+]C2 ZINC001167852734 739072818 /nfs/dbraw/zinc/07/28/18/739072818.db2.gz YTEJGUROZJFXMG-UHFFFAOYSA-N 1 0 315.276 1.808 20 5 DDBDRO CCOC(=O)c1cc(NC(=N)SCC[NH3+])ccc1[N+](=O)[O-] ZINC001167916822 739454214 /nfs/dbraw/zinc/45/42/14/739454214.db2.gz XZSKCRXHEHQGOR-UHFFFAOYSA-N 1 0 312.351 1.810 20 5 DDBDRO O=[N+]([O-])c1c(NCCOC(F)(F)F)ncnc1C1C[NH2+]C1 ZINC001168166874 741684194 /nfs/dbraw/zinc/68/41/94/741684194.db2.gz OEVDCSZLVURKJE-UHFFFAOYSA-N 1 0 307.232 1.020 20 5 DDBDRO C[C@@H](Cc1cnccn1)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001181264839 743130786 /nfs/dbraw/zinc/13/07/86/743130786.db2.gz AQDRQWDUECOUPJ-JTQLQIEISA-N 1 0 312.333 1.982 20 5 DDBDRO NC(=[NH2+])c1nccn1-c1ncnc2cc(F)c([N+](=O)[O-])cc21 ZINC001168411253 744176501 /nfs/dbraw/zinc/17/65/01/744176501.db2.gz FMSCHEXFNIWQEI-UHFFFAOYSA-N 1 0 301.241 1.147 20 5 DDBDRO CC(C)[NH2+]Cc1nc2c(s1)CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 ZINC001089275407 744852924 /nfs/dbraw/zinc/85/29/24/744852924.db2.gz VANAYJMGDWSEAS-MWLCHTKSSA-N 1 0 324.406 1.191 20 5 DDBDRO CCN(CCNc1ccc([N+](=O)[O-])cn1)C(=O)CC[N@H+](C)CC ZINC001106841850 746452607 /nfs/dbraw/zinc/45/26/07/746452607.db2.gz TXLKCRKMRNQZCG-UHFFFAOYSA-N 1 0 323.397 1.592 20 5 DDBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@H]2C[NH2+]CC23CC3)n1 ZINC001212249567 747333404 /nfs/dbraw/zinc/33/34/04/747333404.db2.gz ZTKFNTBZYLSRRZ-MRVPVSSYSA-N 1 0 305.269 1.646 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCCC[C@@H]1[C@@H]1CCCO1 ZINC001198685207 747576711 /nfs/dbraw/zinc/57/67/11/747576711.db2.gz HZUCEWJFBCCKJK-CABCVRRESA-N 1 0 321.377 1.790 20 5 DDBDRO Cc1c(C[NH2+]CCn2cc([N+](=O)[O-])cn2)cccc1[N+](=O)[O-] ZINC001201192790 748431231 /nfs/dbraw/zinc/43/12/31/748431231.db2.gz YZXAHRYAFJILNW-UHFFFAOYSA-N 1 0 305.294 1.798 20 5 DDBDRO O=C(C[NH+]1CCCC1)NC/C=C\CNc1ncccc1[N+](=O)[O-] ZINC001107201482 749555653 /nfs/dbraw/zinc/55/56/53/749555653.db2.gz RODILLPAMOUZHV-UPHRSURJSA-N 1 0 319.365 1.170 20 5 DDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([NH2+]Cc2ccccc2F)CC1 ZINC000996430040 749588774 /nfs/dbraw/zinc/58/87/74/749588774.db2.gz YVGNLTGDGBHNQT-UKRRQHHQSA-N 1 0 321.352 1.572 20 5 DDBDRO Cc1cnc(NC/C=C\CNC(=O)CC[NH+](C)C)c([N+](=O)[O-])c1 ZINC001107489576 750045400 /nfs/dbraw/zinc/04/54/00/750045400.db2.gz DSFGAEPNMPODDB-PLNGDYQASA-N 1 0 321.381 1.334 20 5 DDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC2(CC[N@H+](CC3CC3)C2)CC1 ZINC001035186572 751262373 /nfs/dbraw/zinc/26/23/73/751262373.db2.gz GHZMCHYNZPPLBH-ZIAGYGMSSA-N 1 0 307.394 1.376 20 5 DDBDRO CC(C)=CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC2 ZINC001035186947 751287560 /nfs/dbraw/zinc/28/75/60/751287560.db2.gz MVSLMQPKSRBLKD-HUUCEWRRSA-N 1 0 321.421 1.932 20 5 DDBDRO COc1ccc(C[C@H](CO)[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)cc1 ZINC001168983709 762151201 /nfs/dbraw/zinc/15/12/01/762151201.db2.gz KVMVPPQLRHWWDB-SOUVJXGZSA-N 1 0 308.378 1.634 20 5 DDBDRO COC(=O)c1cccc(C(=[NH2+])N[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001168985043 762152509 /nfs/dbraw/zinc/15/25/09/762152509.db2.gz CGDBCGJVJKQKPV-ZWNOBZJWSA-N 1 0 305.334 1.834 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(OC3COC3)cc2)C1 ZINC001168971954 762162213 /nfs/dbraw/zinc/16/22/13/762162213.db2.gz MALQJKOYQZKOJP-ZIAGYGMSSA-N 1 0 306.362 1.999 20 5 DDBDRO COCC(=O)N[C@H]1CC[C@H]([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168998908 762170804 /nfs/dbraw/zinc/17/08/04/762170804.db2.gz QYYKATHLOGJYNZ-XUXIUFHCSA-N 1 0 313.398 1.095 20 5 DDBDRO CS(=O)(=O)c1ccccc1C[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168986962 762179533 /nfs/dbraw/zinc/17/95/33/762179533.db2.gz GQVOZIIQFFGKSJ-WCQYABFASA-N 1 0 312.391 1.625 20 5 DDBDRO CCNC(=O)CO[C@@H]1CCC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169039938 762193640 /nfs/dbraw/zinc/19/36/40/762193640.db2.gz WAXJDACLXJLFCZ-BFHYXJOUSA-N 1 0 313.398 1.049 20 5 DDBDRO COc1ccnc(N2CC[NH+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)n1 ZINC001169040016 762194556 /nfs/dbraw/zinc/19/45/56/762194556.db2.gz WXZMLUJYUAPJGT-QWHCGFSZSA-N 1 0 321.381 1.053 20 5 DDBDRO CCOC(=O)c1nn([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c2c1C[NH2+]CC2 ZINC001169041617 762195753 /nfs/dbraw/zinc/19/57/53/762195753.db2.gz BNRUUASZTMPUMU-GHMZBOCLSA-N 1 0 322.365 1.323 20 5 DDBDRO Cc1cc(N([C@H]2CC[NH2+]C2)[C@H]2CC[C@H](C[N+](=O)[O-])C2)ncn1 ZINC001169052521 762208071 /nfs/dbraw/zinc/20/80/71/762208071.db2.gz GWLUPOWYJZASGJ-IHRRRGAJSA-N 1 0 305.382 1.399 20 5 DDBDRO CC1=NC2(CC[NH+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)C(=O)N1C ZINC001169054211 762209031 /nfs/dbraw/zinc/20/90/31/762209031.db2.gz KVLWKOVRSDZASR-CHWSQXEVSA-N 1 0 308.382 1.157 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC000829037758 759863294 /nfs/dbraw/zinc/86/32/94/759863294.db2.gz JFKOHHXKLXJHJS-DOMZBBRYSA-N 1 0 320.393 1.267 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCN1C ZINC000829037759 759864213 /nfs/dbraw/zinc/86/42/13/759864213.db2.gz JFKOHHXKLXJHJS-IUODEOHRSA-N 1 0 320.393 1.267 20 5 DDBDRO C[C@@H](Nc1ncnc2sc([N+](=O)[O-])cc21)[C@@H]1C[NH2+]CCO1 ZINC001170570922 768192250 /nfs/dbraw/zinc/19/22/50/768192250.db2.gz OLUSDMDTPCGNAC-APPZFPTMSA-N 1 0 309.351 1.388 20 5 DDBDRO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1C[NH+](CC2CC3(CCC3)C2)C1 ZINC001042711401 764379161 /nfs/dbraw/zinc/37/91/61/764379161.db2.gz SJMHTBGZXWDLEV-ZIAGYGMSSA-N 1 0 307.394 1.375 20 5 DDBDRO O=C(CCn1ccnc1)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001132079609 768610162 /nfs/dbraw/zinc/61/01/62/768610162.db2.gz DDWLVFZSWDSDEP-UHFFFAOYSA-N 1 0 317.349 1.087 20 5 DDBDRO Cc1n[nH]cc1C(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001132138795 768644006 /nfs/dbraw/zinc/64/40/06/768644006.db2.gz LBGOLLUVJXCIIE-UHFFFAOYSA-N 1 0 303.322 1.146 20 5 DDBDRO Cc1nocc1C(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001133228086 769605741 /nfs/dbraw/zinc/60/57/41/769605741.db2.gz WTZJZNXUMIYUHY-UHFFFAOYSA-N 1 0 304.306 1.411 20 5 DDBDRO O=[N+]([O-])c1ccc(-c2ccccc2)nc1N[C@H]1C[NH2+]C[C@H]1CO ZINC001170772723 771183977 /nfs/dbraw/zinc/18/39/77/771183977.db2.gz DOBXCGBVYPBMLV-JSGCOSHPSA-N 1 0 314.345 1.649 20 5 DDBDRO O=[N+]([O-])c1cc(F)cc2ccc(N[C@H]3C[NH2+]C[C@@H]3CO)nc21 ZINC001170775406 771205544 /nfs/dbraw/zinc/20/55/44/771205544.db2.gz CRHAULYRKNQSQI-KOLCDFICSA-N 1 0 306.297 1.274 20 5 DDBDRO Cc1nc(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)c(C)o1 ZINC001135669520 771643904 /nfs/dbraw/zinc/64/39/04/771643904.db2.gz UKVVBZCMZLEPIX-UHFFFAOYSA-N 1 0 318.333 1.719 20 5 DDBDRO CC(C)CCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001147505908 773155416 /nfs/dbraw/zinc/15/54/16/773155416.db2.gz AKMFYASPRZEAFX-ZIAGYGMSSA-N 1 0 309.410 1.622 20 5 DDBDRO CCC[N@H+](C)CCC(=O)NCCNc1ncccc1[N+](=O)[O-] ZINC001093770714 775066947 /nfs/dbraw/zinc/06/69/47/775066947.db2.gz FBFQWSSKIKRIOW-UHFFFAOYSA-N 1 0 309.370 1.250 20 5 DDBDRO COC(=O)Cc1ccc(Nc2nccnc2C[NH3+])cc1[N+](=O)[O-] ZINC001171449507 776125325 /nfs/dbraw/zinc/12/53/25/776125325.db2.gz MMXPNOBXNNBFOF-UHFFFAOYSA-N 1 0 317.305 1.303 20 5 DDBDRO C[NH+](C)C1(C(=O)NCCCNc2ccccc2[N+](=O)[O-])CCC1 ZINC001094622787 776141815 /nfs/dbraw/zinc/14/18/15/776141815.db2.gz UXFSJGYOLHBBDL-UHFFFAOYSA-N 1 0 320.393 1.997 20 5 DDBDRO CC[N@H+](C)C(C)(C)C(=O)NCCCNc1ccc([N+](=O)[O-])cn1 ZINC001094639982 776161421 /nfs/dbraw/zinc/16/14/21/776161421.db2.gz LFLSXGHPOFYJGE-UHFFFAOYSA-N 1 0 323.397 1.638 20 5 DDBDRO O=C1CC[C@@H](C[NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)N1 ZINC001172898200 776914191 /nfs/dbraw/zinc/91/41/91/776914191.db2.gz HOXPPNHTLJUGMO-KGLIPLIRSA-N 1 0 303.362 1.710 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+]2C[C@H](C)[C@H](O)C2)c1F ZINC001173181331 777035543 /nfs/dbraw/zinc/03/55/43/777035543.db2.gz OQGPBRHMPRPQTN-OPQQBVKSSA-N 1 0 312.341 1.986 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CC([NH+](C)C)C2)c1F ZINC001173180797 777035679 /nfs/dbraw/zinc/03/56/79/777035679.db2.gz NGEYQZRHEPNZNT-SNVBAGLBSA-N 1 0 311.357 1.919 20 5 DDBDRO CCOC(=O)CN(CC[NH3+])[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173217891 777049940 /nfs/dbraw/zinc/04/99/40/777049940.db2.gz HGONPMOHMUZLMJ-LBPRGKRZSA-N 1 0 309.366 1.350 20 5 DDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CC(=O)N2CCC[C@H]2C1 ZINC001173235330 777065292 /nfs/dbraw/zinc/06/52/92/777065292.db2.gz WEURANYEBVCLFG-DOMZBBRYSA-N 1 0 303.362 1.832 20 5 DDBDRO Cn1ccc(C(=O)NCCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)n1 ZINC001176081170 778016306 /nfs/dbraw/zinc/01/63/06/778016306.db2.gz QRDZMDARBRTSDX-UHFFFAOYSA-N 1 0 317.349 1.238 20 5 DDBDRO O=C(NCCCCCC[NH2+]C/C=C/Cl)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001178450197 779034953 /nfs/dbraw/zinc/03/49/53/779034953.db2.gz XBOKYXLXZLHLPF-IEVRTODYSA-N 1 0 303.790 1.670 20 5 DDBDRO COCC[N@H+]1[C@H](C)CN(c2c(C)cncc2[N+](=O)[O-])C[C@@H]1C ZINC001118125986 781038760 /nfs/dbraw/zinc/03/87/60/781038760.db2.gz CTFRNBAFIBAYNS-BETUJISGSA-N 1 0 308.382 1.844 20 5 DDBDRO O=C(NCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)C(F)F ZINC001266579261 836492001 /nfs/dbraw/zinc/49/20/01/836492001.db2.gz KWNAYYBOLNNPAV-UHFFFAOYSA-N 1 0 313.304 1.941 20 5 DDBDRO CCCOCC(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001266580698 836492974 /nfs/dbraw/zinc/49/29/74/836492974.db2.gz FHKKNAMPXNUVSG-HDJSIYSDSA-N 1 0 321.377 1.758 20 5 DDBDRO Cc1ccc(F)cc1C[N@@H+](C)CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001272013746 844320178 /nfs/dbraw/zinc/32/01/78/844320178.db2.gz SHWDMXUQUBZLQU-HUUCEWRRSA-N 1 0 323.368 1.690 20 5 DDBDRO O=C(NC/C=C/C[NH2+]Cc1ccccc1[N+](=O)[O-])c1cnco1 ZINC001268578815 840478805 /nfs/dbraw/zinc/47/88/05/840478805.db2.gz YZHOBQODWYDNHN-ONEGZZNKSA-N 1 0 316.317 1.659 20 5 DDBDRO C[NH+]1CCC(CCNC(=O)c2ccc([N+](=O)[O-])cc2N)CC1 ZINC001143321904 861463830 /nfs/dbraw/zinc/46/38/30/861463830.db2.gz HHEQUFYUKGIGSG-UHFFFAOYSA-N 1 0 306.366 1.639 20 5 DDBDRO C[C@@H](C[N+](C)(C)C)OCc1ccc(S(=O)(=O)N(C)C)cc1 ZINC001224057670 844735097 /nfs/dbraw/zinc/73/50/97/844735097.db2.gz VJGXYTTVIQBRRD-ZDUSSCGKSA-N 1 0 315.459 1.548 20 5 DDBDRO CCOC(=O)c1ccnc(N[C@@]23CCC[C@@H]2[NH2+]CC3)c1[N+](=O)[O-] ZINC001155409836 862054014 /nfs/dbraw/zinc/05/40/14/862054014.db2.gz AFBWGVYYNXBMHH-XHDPSFHLSA-N 1 0 320.349 1.863 20 5 DDBDRO O=[N+]([O-])c1cnc(Cl)cc1NCc1nnc2n1CCC[NH2+]C2 ZINC001155425164 862072703 /nfs/dbraw/zinc/07/27/03/862072703.db2.gz VCJLKPYEEIFWKT-UHFFFAOYSA-N 1 0 323.744 1.340 20 5 DDBDRO O=[N+]([O-])c1c(Cl)nc(Cl)nc1N[C@@H]1C[NH2+][C@@H]2COC[C@H]12 ZINC001155503222 862167364 /nfs/dbraw/zinc/16/73/64/862167364.db2.gz YKVIRMDGYKXADO-HSUXUTPPSA-N 1 0 320.136 1.090 20 5 DDBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1NC[C@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001155596785 862274731 /nfs/dbraw/zinc/27/47/31/862274731.db2.gz JCYQGVHNWQJHMT-WFASDCNBSA-N 1 0 322.365 1.107 20 5 DDBDRO O=[N+]([O-])c1cnc(Cl)cc1N[C@@H]1CCO[C@]2(CC[NH2+]C2)C1 ZINC001155617638 862295878 /nfs/dbraw/zinc/29/58/78/862295878.db2.gz JOAADDFZJYOHJV-NOZJJQNGSA-N 1 0 312.757 1.966 20 5 DDBDRO O=[N+]([O-])c1cnc(N[C@H]2CCO[C@@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC001155618557 862295996 /nfs/dbraw/zinc/29/59/96/862295996.db2.gz MPVLRVZGPBQALL-ZANVPECISA-N 1 0 323.309 1.221 20 5 DDBDRO C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC001327673759 862374056 /nfs/dbraw/zinc/37/40/56/862374056.db2.gz MHOYFYNWNVZOBW-KGLIPLIRSA-N 1 0 320.393 1.996 20 5 DDBDRO Cc1ccc(C)c(C[NH2+]CCCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC001276002227 854128623 /nfs/dbraw/zinc/12/86/23/854128623.db2.gz OSOLIADWPCRHFQ-HZPDHXFCSA-N 1 0 319.405 1.907 20 5 DDBDRO C[NH+](C)CCONC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC001328372556 862933463 /nfs/dbraw/zinc/93/34/63/862933463.db2.gz IBRBVKHPSNRUIM-UHFFFAOYSA-N 1 0 321.255 1.837 20 5 DDBDRO [NH3+]C[C@H]1CC[C@@H](NC(=O)CCc2cc(F)ccc2[N+](=O)[O-])C1 ZINC001121945368 858641860 /nfs/dbraw/zinc/64/18/60/858641860.db2.gz WSRLGFZLLZYIOX-GXFFZTMASA-N 1 0 309.341 1.910 20 5 DDBDRO Cc1nn(CCC(=O)N2[C@H](C)C[NH2+][C@@H](C)[C@H]2C)c(C)c1[N+](=O)[O-] ZINC001122182504 858704926 /nfs/dbraw/zinc/70/49/26/858704926.db2.gz VUIGWRZUCTXQQV-JFGNBEQYSA-N 1 0 323.397 1.396 20 5 DDBDRO N=c1cc(C[NH3+])ccn1-c1nc(Cl)nc(Cl)c1[N+](=O)[O-] ZINC001156850219 863393855 /nfs/dbraw/zinc/39/38/55/863393855.db2.gz ULYFWEHQJPGJPF-UHFFFAOYSA-N 1 0 315.120 1.420 20 5 DDBDRO O=C(NCCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1cncnc1 ZINC001156981698 863497207 /nfs/dbraw/zinc/49/72/07/863497207.db2.gz HRMQFWRXVVULLW-UHFFFAOYSA-N 1 0 315.333 1.295 20 5 DDBDRO [NH3+]C1(CNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CCCC1 ZINC001329823757 863877749 /nfs/dbraw/zinc/87/77/49/863877749.db2.gz MSEIUMZRBDMWSB-UHFFFAOYSA-N 1 0 318.377 1.934 20 5 DDBDRO O=C(NCCC[NH2+]Cc1ccc(F)cc1F)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157761124 864111150 /nfs/dbraw/zinc/11/11/50/864111150.db2.gz NQWYOVYWPVCNLT-DGCLKSJQSA-N 1 0 313.304 1.226 20 5 DDBDRO [NH3+]CCc1cnn(-c2nc(Cl)cc(Cl)c2[N+](=O)[O-])c1 ZINC001158098934 864427387 /nfs/dbraw/zinc/42/73/87/864427387.db2.gz PDRKQFMRWXJBIP-UHFFFAOYSA-N 1 0 302.121 1.984 20 5 DDBDRO COC(=O)[C@]12CC[NH2+][C@@H]1CN(c1ncc(C)cc1[N+](=O)[O-])CC2 ZINC001158636720 864774267 /nfs/dbraw/zinc/77/42/67/864774267.db2.gz MKZAVBREDQSMSM-DOMZBBRYSA-N 1 0 320.349 1.030 20 5 DDBDRO C[N@H+](CCCCCF)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001331017153 864778273 /nfs/dbraw/zinc/77/82/73/864778273.db2.gz VKUAYQNUAMXYGO-ZIAGYGMSSA-N 1 0 315.389 1.714 20 5 DDBDRO CC1(C)[C@@H]([NH3+])C[C@@H]1C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001331690846 865248074 /nfs/dbraw/zinc/24/80/74/865248074.db2.gz CQSKBSFUMLZSAZ-KGLIPLIRSA-N 1 0 303.362 1.853 20 5 DDBDRO C[C@H](Nc1cnc2cc([N+](=O)[O-])ccc2n1)[C@@H]1C[NH2+]CCO1 ZINC001159495088 865345275 /nfs/dbraw/zinc/34/52/75/865345275.db2.gz CLQCOKRGAPASJU-ZANVPECISA-N 1 0 303.322 1.327 20 5 DDBDRO C[C@H](Nc1ncnc2cccc([N+](=O)[O-])c21)[C@H]1C[NH2+]CCO1 ZINC001159502431 865360952 /nfs/dbraw/zinc/36/09/52/865360952.db2.gz MXEPXAAQTURTNR-JOYOIKCWSA-N 1 0 303.322 1.327 20 5 DDBDRO CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2NC)CC[C@@H]1[NH3+] ZINC001332211886 865668784 /nfs/dbraw/zinc/66/87/84/865668784.db2.gz UPJPIMWVPQRDRL-MFKMUULPSA-N 1 0 306.366 1.836 20 5 DDBDRO [NH3+]C[C@@H]1COc2ccccc2N1c1ncc([N+](=O)[O-])cc1F ZINC001160199611 865724345 /nfs/dbraw/zinc/72/43/45/865724345.db2.gz LCOUXAJCKNEXKX-SNVBAGLBSA-N 1 0 304.281 1.987 20 5 DDBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)[C@@H]1[NH2+]C[C@@H]2C[C@@H]21 ZINC001332290958 865733839 /nfs/dbraw/zinc/73/38/39/865733839.db2.gz BOCOGKOTXQKFIN-AEGPPILISA-N 1 0 303.362 1.642 20 5 DDBDRO COc1nc(N[C@@H]2CC[NH2+]C[C@H]2C(F)(F)F)ccc1[N+](=O)[O-] ZINC001160736499 866085465 /nfs/dbraw/zinc/08/54/65/866085465.db2.gz MHHHTTKZNQRZHF-HTQZYQBOSA-N 1 0 320.271 1.951 20 5 DDBDRO Cc1cc([N+](=O)[O-])cnc1NCC(C)(C)N1CC[NH+](C)CC1 ZINC001319856124 866347897 /nfs/dbraw/zinc/34/78/97/866347897.db2.gz NNXDGNXBAAKUNU-UHFFFAOYSA-N 1 0 307.398 1.736 20 5 DDBDRO O=C(COc1cccc([N+](=O)[O-])c1)N1CC[NH2+]CCC12CCC2 ZINC001333237364 866547796 /nfs/dbraw/zinc/54/77/96/866547796.db2.gz XDXVXGIECXNLTK-UHFFFAOYSA-N 1 0 319.361 1.718 20 5 DDBDRO C[C@]12COC[C@@H]1CN(Cn1c(=O)oc3cccc([N+](=O)[O-])c31)C2 ZINC001333720830 866963752 /nfs/dbraw/zinc/96/37/52/866963752.db2.gz CIRLVRIYLLHSCQ-BONVTDFDSA-N 1 0 319.317 1.429 20 5 DDBDRO [NH3+]C1CCN(CCNc2cnc3ccc([N+](=O)[O-])cc3n2)CC1 ZINC001161867718 867047511 /nfs/dbraw/zinc/04/75/11/867047511.db2.gz YIYJVXFRHDGUIU-UHFFFAOYSA-N 1 0 316.365 1.373 20 5 DDBDRO COC(=O)[C@H]1CCC[C@@H]1[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC001320973526 867168814 /nfs/dbraw/zinc/16/88/14/867168814.db2.gz TXKQWJNEOBHYBI-KBPBESRZSA-N 1 0 308.334 1.905 20 5 DDBDRO Cc1cncc([N+](=O)[O-])c1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001324367473 867232471 /nfs/dbraw/zinc/23/24/71/867232471.db2.gz WWBGHNPUIIBEGR-CQSZACIVSA-N 1 0 320.393 1.847 20 5 DDBDRO COC(=O)Cc1ccc(N[C@@H]2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC001162403133 867514224 /nfs/dbraw/zinc/51/42/24/867514224.db2.gz YFBUMZCNXJDCNF-VXGBXAGGSA-N 1 0 307.350 1.992 20 5 DDBDRO Cc1c[n+]([O-])c(NCc2ccc3c(c2)CC[NH2+]C3)cc1[N+](=O)[O-] ZINC001162796265 867830025 /nfs/dbraw/zinc/83/00/25/867830025.db2.gz YGZRZGHMKUTLJF-UHFFFAOYSA-N 1 0 314.345 1.794 20 5 DDBDRO [NH3+][C@H]1Cc2ccccc2N(c2cc([N+](=O)[O-])c3nncn3c2)C1 ZINC001162853898 867875631 /nfs/dbraw/zinc/87/56/31/867875631.db2.gz OHGZFUZTVDMYTC-NSHDSACASA-N 1 0 310.317 1.659 20 5 DDBDRO COc1ncc([N+](=O)[O-])cc1NCC[C@H]1CCOC12C[NH2+]C2 ZINC001163090138 868079383 /nfs/dbraw/zinc/07/93/83/868079383.db2.gz RJTXTWYVSVKBFW-JTQLQIEISA-N 1 0 308.338 1.179 20 5 DDBDRO O=[N+]([O-])c1cc(N[C@H]2C[NH2+]Cc3ccsc32)cn2cnnc12 ZINC001163230579 868235445 /nfs/dbraw/zinc/23/54/45/868235445.db2.gz PQFITEVRKBPSBX-JTQLQIEISA-N 1 0 316.346 1.955 20 5 DDBDRO O=C1C[C@@H]2[NH2+]CC[C@]2(Nc2ccc3ncccc3c2[N+](=O)[O-])N1 ZINC001163253723 868262712 /nfs/dbraw/zinc/26/27/12/868262712.db2.gz MVTDWGOEKWMZAC-WFASDCNBSA-N 1 0 313.317 1.133 20 5 DDBDRO COc1cc([N+](=O)[O-])cnc1NC[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001163269134 868286666 /nfs/dbraw/zinc/28/66/66/868286666.db2.gz WOOTZIFTYBIKPV-IAQYHMDHSA-N 1 0 322.365 1.569 20 5 DDBDRO O=[N+]([O-])c1cc(N[C@@H]2CCO[C@]3(CC[NH2+]C3)C2)cn2ccnc12 ZINC001163320885 868349976 /nfs/dbraw/zinc/34/99/76/868349976.db2.gz AIKHUCSLHYGIKK-IAQYHMDHSA-N 1 0 317.349 1.566 20 5 DDBDRO C[C@H](NC(=O)N[C@@H]1C[NH2+]CC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC001336740679 869118118 /nfs/dbraw/zinc/11/81/18/869118118.db2.gz YCJZCUJQIKDWNZ-GXFFZTMASA-N 1 0 306.366 1.953 20 5 DDBDRO Cc1cncc([N+](=O)[O-])c1N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC001336836579 869173977 /nfs/dbraw/zinc/17/39/77/869173977.db2.gz IOTRVKKINRNRJA-WCQYABFASA-N 1 0 308.407 1.712 20 5 DDBDRO Nc1cc(N2CC[NH2+][C@H](Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC001164612095 869328431 /nfs/dbraw/zinc/32/84/31/869328431.db2.gz JYHLDQMNCMAZED-CYBMUJFWSA-N 1 0 313.361 1.593 20 5 DDBDRO CCOc1nc(N2CC[NH+](CCCOC)CC2)ccc1[N+](=O)[O-] ZINC001165097884 869373286 /nfs/dbraw/zinc/37/32/86/869373286.db2.gz WHLAMOOTNFEWKR-UHFFFAOYSA-N 1 0 324.381 1.547 20 5 DDBDRO Nc1cc([N+](=O)[O-])cnc1N1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001165324653 869517248 /nfs/dbraw/zinc/51/72/48/869517248.db2.gz ZQWYORQZBHMAHM-CQSZACIVSA-N 1 0 305.382 1.931 20 5 DDBDRO C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001337536870 869530085 /nfs/dbraw/zinc/53/00/85/869530085.db2.gz YJEZRZSZXVNQQA-SNVBAGLBSA-N 1 0 321.333 1.538 20 5 DDBDRO CN(C)/C=C/c1cc(N2CCC[C@H]3[NH2+]C[C@@H]32)ncc1[N+](=O)[O-] ZINC001165396254 869566126 /nfs/dbraw/zinc/56/61/26/869566126.db2.gz ZKDHVQWAIVMKLF-FROLJDDGSA-N 1 0 303.366 1.463 20 5 DDBDRO COCc1nn(-c2nc(Cl)cc(C)c2[N+](=O)[O-])c2c1C[NH2+]C2 ZINC001165632603 869662636 /nfs/dbraw/zinc/66/26/36/869662636.db2.gz VFBGBBBEKAFTIO-UHFFFAOYSA-N 1 0 323.740 1.887 20 5 DDBDRO CCC1([NH+]2CCC2)CCN(c2nnc(C[N+](=O)[O-])n2C)CC1 ZINC001338059915 869773954 /nfs/dbraw/zinc/77/39/54/869773954.db2.gz NLVDKTZXTPCGGM-UHFFFAOYSA-N 1 0 308.386 1.047 20 5 DDBDRO CC(C)[N@H+](C)CC1CCN(c2nnc(C[N+](=O)[O-])n2C)CC1 ZINC001339555398 870551574 /nfs/dbraw/zinc/55/15/74/870551574.db2.gz VNPQWIYFOHQRNH-UHFFFAOYSA-N 1 0 310.402 1.148 20 5 DDBDRO C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC001340914801 871424386 /nfs/dbraw/zinc/42/43/86/871424386.db2.gz MZBUNZQINFALOU-TZMCWYRMSA-N 1 0 305.378 1.889 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)[NH2+]C[C@H]2CCCOC2)cc1 ZINC001308513750 871506231 /nfs/dbraw/zinc/50/62/31/871506231.db2.gz PZPMHUWXXPTWQE-KCPJHIHWSA-N 1 0 310.350 1.005 20 5 DDBDRO [NH3+]CC[C@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC001341125086 871516145 /nfs/dbraw/zinc/51/61/45/871516145.db2.gz WQMHDYGNBNSOCQ-JTQLQIEISA-N 1 0 311.769 1.988 20 5 DDBDRO C[NH2+]CCN(C(=O)COc1ccc([N+](=O)[O-])c(F)c1)C(C)C ZINC001341752270 871804680 /nfs/dbraw/zinc/80/46/80/871804680.db2.gz JDMQTPKFUKNZAN-UHFFFAOYSA-N 1 0 313.329 1.569 20 5 DDBDRO COc1cccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)c1C(C)=O ZINC001226649070 882563869 /nfs/dbraw/zinc/56/38/69/882563869.db2.gz OIOBYRHFIZGGES-GFCCVEGCSA-N 1 0 310.370 1.260 20 5 DDBDRO CN(C(=O)Cc1cccc([N+](=O)[O-])c1)C1(C[NH3+])CCOCC1 ZINC001342095184 872000890 /nfs/dbraw/zinc/00/08/90/872000890.db2.gz HCIAGHAILQTIBZ-UHFFFAOYSA-N 1 0 307.350 1.104 20 5 DDBDRO CN(CCOCC[NH3+])C(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC001342240042 872094800 /nfs/dbraw/zinc/09/48/00/872094800.db2.gz PEZJBTJWFWCQJQ-UHFFFAOYSA-N 1 0 313.329 1.100 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CC[C@H](OCC[NH+]3CCCC3)C2)nc1 ZINC001206309514 872199803 /nfs/dbraw/zinc/19/98/03/872199803.db2.gz SOWJYXJOVAEECA-AWEZNQCLSA-N 1 0 306.366 1.681 20 5 DDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC001342679377 872330953 /nfs/dbraw/zinc/33/09/53/872330953.db2.gz PGEGXGQKKIDTER-GDBMZVCRSA-N 1 0 303.362 1.786 20 5 DDBDRO CC[N@@H+]1CCCN(c2nnc([C@H](C)[N+](=O)[O-])n2CC(C)C)CC1 ZINC001342909967 872433827 /nfs/dbraw/zinc/43/38/27/872433827.db2.gz RVOONFGEHGRVKL-ZDUSSCGKSA-N 1 0 324.429 1.804 20 5 DDBDRO CC(C)Cn1c(C[N+](=O)[O-])nnc1N(C)CC[NH+]1CCCCC1 ZINC001342986469 872458170 /nfs/dbraw/zinc/45/81/70/872458170.db2.gz HQUIFCCVVYPITC-UHFFFAOYSA-N 1 0 324.429 1.633 20 5 DDBDRO O=[N+]([O-])c1cnc(OC2CCN(c3cc[nH+]cc3)CC2)nc1 ZINC001226733093 882618688 /nfs/dbraw/zinc/61/86/88/882618688.db2.gz HJMVQEMGDZHIBJ-UHFFFAOYSA-N 1 0 301.306 1.828 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC001343715746 872730160 /nfs/dbraw/zinc/73/01/60/872730160.db2.gz WZGFCSDDPAFENY-LLVKDONJSA-N 1 0 321.381 1.090 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@@H]2C1 ZINC001345236544 873317354 /nfs/dbraw/zinc/31/73/54/873317354.db2.gz UKLDJLRDLIWJHT-YNEHKIRRSA-N 1 0 320.393 1.736 20 5 DDBDRO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)COc1ccccc1[N+](=O)[O-])C2 ZINC001345592610 873449095 /nfs/dbraw/zinc/44/90/95/873449095.db2.gz OVPVOBJZFRUJMR-SRVKXCTJSA-N 1 0 305.334 1.312 20 5 DDBDRO C[C@@H](C(=O)N1CC[C@@](O)(C[NH+](C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC001347175678 874044129 /nfs/dbraw/zinc/04/41/29/874044129.db2.gz SRVGBWWOPLWLET-MLGOLLRUSA-N 1 0 321.377 1.223 20 5 DDBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC001355095076 878423621 /nfs/dbraw/zinc/42/36/21/878423621.db2.gz OTXDCKIRQAHNJU-WDEREUQCSA-N 1 0 321.402 1.998 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)NCC[C@H]1CCC[NH2+]CC1 ZINC001356524988 879089020 /nfs/dbraw/zinc/08/90/20/879089020.db2.gz NVPLFCZASPGCNP-ZDUSSCGKSA-N 1 0 321.377 1.870 20 5 DDBDRO CN(C)C1(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC001356594703 879118629 /nfs/dbraw/zinc/11/86/29/879118629.db2.gz DPLDQXJOBMFSMP-OAHLLOKOSA-N 1 0 323.393 1.329 20 5 DDBDRO C[C@@H]1C[NH2+]C[C@H]1NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC001357547858 880041181 /nfs/dbraw/zinc/04/11/81/880041181.db2.gz WNGGXTKFLYIOBL-ZYHUDNBSSA-N 1 0 306.366 1.737 20 5 DDBDRO C[C@@H]1C[NH2+]C[C@H]1CNC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001358070163 880313779 /nfs/dbraw/zinc/31/37/79/880313779.db2.gz HTGSPMOEDLXQQV-WCUVEOEZSA-N 1 0 303.362 1.670 20 5 DDBDRO CC[N@@H+]1CC[C@H](OCc2c(C(=O)OC)cccc2[N+](=O)[O-])C1 ZINC001222773193 880692154 /nfs/dbraw/zinc/69/21/54/880692154.db2.gz IJHJJMAVWWEDCR-NSHDSACASA-N 1 0 308.334 1.992 20 5 DDBDRO CC(=O)O[C@@H]1C[C@@H]2C[C@H](Oc3cncc([N+](=O)[O-])c3)C[C@H]1[N@@H+]2C ZINC001227990698 883272166 /nfs/dbraw/zinc/27/21/66/883272166.db2.gz OYNBOHLNQJLGMP-OBCWZRDOSA-N 1 0 321.333 1.535 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1nccc2ccc(F)cc21 ZINC001229515403 884023546 /nfs/dbraw/zinc/02/35/46/884023546.db2.gz RCPRLJZIQWVUIV-CYBMUJFWSA-N 1 0 307.345 1.737 20 5 DDBDRO C[N@H+](CCCNC(=O)c1ccn[nH]1)Cc1ccc([N+](=O)[O-])cc1 ZINC001234244437 887785808 /nfs/dbraw/zinc/78/58/08/887785808.db2.gz ROIOIJMICICCTR-UHFFFAOYSA-N 1 0 317.349 1.570 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3CC[C@](F)(CO)C3)CC2)cc1 ZINC001254476367 896455902 /nfs/dbraw/zinc/45/59/02/896455902.db2.gz ONZYRJKUTMTQTC-MRXNPFEDSA-N 1 0 323.368 1.970 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])n1cncc1C[C@@H]([NH3+])CO ZINC001254539035 896494348 /nfs/dbraw/zinc/49/43/48/896494348.db2.gz DLAHUUSOBONXOK-DGCLKSJQSA-N 1 0 304.350 1.457 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCN1CCC[C@@H](O)C1 ZINC001254539601 896494395 /nfs/dbraw/zinc/49/43/95/896494395.db2.gz FTXXPTZIQPAOTR-UKRRQHHQSA-N 1 0 307.394 1.572 20 5 DDBDRO CNC(=O)N[C@H]1CCC[N@@H+]([C@@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001254570852 896506153 /nfs/dbraw/zinc/50/61/53/896506153.db2.gz QBHQLQNTWKPNNE-JSGCOSHPSA-N 1 0 320.393 1.919 20 5 DDBDRO COC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254578088 896510198 /nfs/dbraw/zinc/51/01/98/896510198.db2.gz JAZOOGSZLODJCL-XBFCOCLRSA-N 1 0 304.346 1.993 20 5 DDBDRO Cc1c(CC[NH3+])c(=O)[nH]n1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254580157 896512815 /nfs/dbraw/zinc/51/28/15/896512815.db2.gz ZLEZOOBBLCEPSU-ZDUSSCGKSA-N 1 0 302.334 1.646 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]C1(CO)CCSCC1)C2 ZINC001254580591 896513915 /nfs/dbraw/zinc/51/39/15/896513915.db2.gz GSLWLGRHOGGALT-ZDUSSCGKSA-N 1 0 308.403 1.910 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H](N(c1ncccn1)C1C[NH2+]C1)C2 ZINC001254606409 896527163 /nfs/dbraw/zinc/52/71/63/896527163.db2.gz FINPCBNKFYCYDG-CQSZACIVSA-N 1 0 311.345 1.330 20 5 DDBDRO COc1cc(N2CCC([NH2+]CC[C@@H](C)O)CC2)ccc1[N+](=O)[O-] ZINC001256101653 897286022 /nfs/dbraw/zinc/28/60/22/897286022.db2.gz ODDZBOWAAMYJHE-GFCCVEGCSA-N 1 0 323.393 1.933 20 5 DDBDRO Cn1cc([C@@H](O)C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])cn1 ZINC001262362421 900132880 /nfs/dbraw/zinc/13/28/80/900132880.db2.gz QCHXLMYVBSGZKP-ZDUSSCGKSA-N 1 0 310.741 1.805 20 5 DDBDRO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)NCc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC001263074192 900482083 /nfs/dbraw/zinc/48/20/83/900482083.db2.gz ZQSAPGJGYPWFFI-BFHYXJOUSA-N 1 0 318.377 1.734 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCCCC[NH2+]1 ZINC001263250540 900548256 /nfs/dbraw/zinc/54/82/56/900548256.db2.gz LIQNVNNBLDCUEH-GFCCVEGCSA-N 1 0 307.350 1.622 20 5 DDBDRO Cn1cnc(CC[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)n1 ZINC000447588576 230478644 /nfs/dbraw/zinc/47/86/44/230478644.db2.gz VLZYHACXSZECMK-RYUDHWBXSA-N 1 0 319.369 1.236 20 5 DDBDRO [NH3+]CC[C@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000449730515 230639563 /nfs/dbraw/zinc/63/95/63/230639563.db2.gz QZJRPUDTVAGBHG-NSHDSACASA-N 1 0 319.283 1.923 20 5 DDBDRO C[C@H](CO)[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C[C@H](C)O ZINC000248926102 282118690 /nfs/dbraw/zinc/11/86/90/282118690.db2.gz LQDZHFBZMBREHV-ZJUUUORDSA-N 1 0 302.758 1.812 20 5 DDBDRO O=C(NCCNc1ccccc1[N+](=O)[O-])C12CCC[NH+]1CCC2 ZINC000278570349 214243744 /nfs/dbraw/zinc/24/37/44/214243744.db2.gz NPJRVICHSXOSCX-UHFFFAOYSA-N 1 0 318.377 1.751 20 5 DDBDRO CC[C@@H]1[C@H](CO)CC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000451263369 529485611 /nfs/dbraw/zinc/48/56/11/529485611.db2.gz YUTPSTXYJUQYIG-BFHYXJOUSA-N 1 0 324.377 1.427 20 5 DDBDRO CCC[C@H](C)[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000090015325 185278237 /nfs/dbraw/zinc/27/82/37/185278237.db2.gz MNTFJVYNIWFZAK-NSHDSACASA-N 1 0 315.395 1.651 20 5 DDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)[C@@H]1CCC[C@H]1O ZINC000286654069 219105504 /nfs/dbraw/zinc/10/55/04/219105504.db2.gz UHYODYGAFIUJQW-LERXQTSPSA-N 1 0 307.350 1.767 20 5 DDBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H](O)C(F)F ZINC000341365977 282447126 /nfs/dbraw/zinc/44/71/26/282447126.db2.gz RRAYGEDYLFSVET-LDYMZIIASA-N 1 0 317.292 1.528 20 5 DDBDRO C[C@@H]1CN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)[C@@H](C)C[NH2+]1 ZINC000272646698 210050407 /nfs/dbraw/zinc/05/04/07/210050407.db2.gz YLZWUTVXZBBIOA-ZJUUUORDSA-N 1 0 311.313 1.322 20 5 DDBDRO C[C@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H]1[NH+](C)C ZINC000331408300 233356033 /nfs/dbraw/zinc/35/60/33/233356033.db2.gz CFIAKZBAMMFANJ-HZMBPMFUSA-N 1 0 303.366 1.853 20 5 DDBDRO CO[C@@H](C[NH3+])CC(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000262862884 186315147 /nfs/dbraw/zinc/31/51/47/186315147.db2.gz LMBMYDSUCYIUOQ-LLVKDONJSA-N 1 0 315.757 1.570 20 5 DDBDRO C[C@@H](CC[NH+](C)C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000265981613 186347064 /nfs/dbraw/zinc/34/70/64/186347064.db2.gz FVTJHKFRWOLYAR-JTQLQIEISA-N 1 0 301.368 1.213 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](C)C2CC[NH+](C)CC2)n1 ZINC000617405703 363090666 /nfs/dbraw/zinc/09/06/66/363090666.db2.gz TXJMNDGUDMSVCA-SNVBAGLBSA-N 1 0 309.370 1.271 20 5 DDBDRO C[NH+](C)CCNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000045164861 352405755 /nfs/dbraw/zinc/40/57/55/352405755.db2.gz VJKJRQOTEBYIJT-UHFFFAOYSA-N 1 0 320.393 1.489 20 5 DDBDRO CC(=O)c1ccc(NC[C@@H](C)N2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000057838184 352830449 /nfs/dbraw/zinc/83/04/49/352830449.db2.gz FHYRTAKEHMUYEZ-GFCCVEGCSA-N 1 0 320.393 1.845 20 5 DDBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](O)[C@@H]1CCOC1 ZINC000344832694 282845449 /nfs/dbraw/zinc/84/54/49/282845449.db2.gz SQTAXGLOOOAEGJ-SOKLDJIMSA-N 1 0 306.362 1.985 20 5 DDBDRO O=C(Cn1ccc([N+](=O)[O-])n1)N1CCC([NH+]2CCCCC2)CC1 ZINC000058263479 352840210 /nfs/dbraw/zinc/84/02/10/352840210.db2.gz HBJQFKZBLNXHGI-UHFFFAOYSA-N 1 0 321.381 1.268 20 5 DDBDRO CCc1ccc(S(=O)(=O)NC[C@@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000564959093 304029979 /nfs/dbraw/zinc/02/99/79/304029979.db2.gz UKUWWYSCRNZFGX-NSHDSACASA-N 1 0 313.379 1.188 20 5 DDBDRO CC[N@H+](C)CCNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000068960639 353138866 /nfs/dbraw/zinc/13/88/66/353138866.db2.gz XFJFEIBDYPXOLO-UHFFFAOYSA-N 1 0 301.368 1.133 20 5 DDBDRO COc1ccc(CC(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000069397347 353160255 /nfs/dbraw/zinc/16/02/55/353160255.db2.gz XHXSNAHXZAJCCI-GFCCVEGCSA-N 1 0 319.361 1.499 20 5 DDBDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000069528740 353165657 /nfs/dbraw/zinc/16/56/57/353165657.db2.gz BBBAJQHDBJYMDE-AWEZNQCLSA-N 1 0 321.377 1.364 20 5 DDBDRO COc1cc(N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)ccc1[N+](=O)[O-] ZINC000114007398 353978782 /nfs/dbraw/zinc/97/87/82/353978782.db2.gz QXXYHGJJGSTCOW-CQSZACIVSA-N 1 0 321.377 1.639 20 5 DDBDRO [NH3+][C@H]1CCC[C@H](NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000124992475 354042920 /nfs/dbraw/zinc/04/29/20/354042920.db2.gz BIYWLPTWVWBAQX-RYUDHWBXSA-N 1 0 313.379 1.284 20 5 DDBDRO O=C(COc1ccccc1[N+](=O)[O-])N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000142252833 354143880 /nfs/dbraw/zinc/14/38/80/354143880.db2.gz TZBVPRAAJYYMKP-CYBMUJFWSA-N 1 0 319.361 1.670 20 5 DDBDRO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000237411695 354341798 /nfs/dbraw/zinc/34/17/98/354341798.db2.gz ZSGAGBBGMRRYHH-RKDXNWHRSA-N 1 0 303.322 1.423 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000346282976 283050852 /nfs/dbraw/zinc/05/08/52/283050852.db2.gz LELIXHLDPHDMED-CMPLNLGQSA-N 1 0 307.350 1.737 20 5 DDBDRO C[NH+](C)C[C@H](CO)NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000588864661 354944028 /nfs/dbraw/zinc/94/40/28/354944028.db2.gz MAHQLYNNSVMBFI-SNVBAGLBSA-N 1 0 323.374 1.462 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000588862582 354944134 /nfs/dbraw/zinc/94/41/34/354944134.db2.gz GNUWJJLRWMGECZ-UONOGXRCSA-N 1 0 319.361 1.184 20 5 DDBDRO C[N@@H+]1C[C@H]2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3F)[C@@H]2C1 ZINC000589941437 355033696 /nfs/dbraw/zinc/03/36/96/355033696.db2.gz INYUWYGNPWEOTJ-NOZJJQNGSA-N 1 0 308.313 1.902 20 5 DDBDRO C[C@@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cn[nH]c1 ZINC000494704000 235075370 /nfs/dbraw/zinc/07/53/70/235075370.db2.gz PIWIIWVIEYRWNK-QMTHXVAHSA-N 1 0 315.333 1.774 20 5 DDBDRO COc1ccc(CC(=O)N2CC[C@@H]3C[N@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000590044225 355042613 /nfs/dbraw/zinc/04/26/13/355042613.db2.gz ISKOCPSNGZIHLT-TZMCWYRMSA-N 1 0 319.361 1.308 20 5 DDBDRO COC(=O)c1ccnc(N[C@H]2CC[N@@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000590582630 355120154 /nfs/dbraw/zinc/12/01/54/355120154.db2.gz BAINTBFDLMFLAY-JTQLQIEISA-N 1 0 308.338 1.671 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3C[N@H+](C)C[C@H]32)c1 ZINC000590442950 355097517 /nfs/dbraw/zinc/09/75/17/355097517.db2.gz IGLRAPYLOKYOIF-QMTHXVAHSA-N 1 0 305.334 1.380 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000591270623 355274528 /nfs/dbraw/zinc/27/45/28/355274528.db2.gz YVVPWUFHTHKMDZ-ZANVPECISA-N 1 0 324.337 1.183 20 5 DDBDRO CCOC(=O)c1ccnc(N2CC[C@@H]3CC[NH2+][C@H]3C2)c1[N+](=O)[O-] ZINC000591439019 355311149 /nfs/dbraw/zinc/31/11/49/355311149.db2.gz QLDXNMAUESVDAC-JQWIXIFHSA-N 1 0 320.349 1.355 20 5 DDBDRO O=[N+]([O-])c1cnc2ccc(N3CC[C@H]4C[NH2+]C[C@H]4CC3)nn21 ZINC000591441853 355312261 /nfs/dbraw/zinc/31/22/61/355312261.db2.gz GTIWRHOYJGAQPF-PHIMTYICSA-N 1 0 302.338 1.073 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])cn(C[C@H]2CC[C@H](C[NH3+])CC2)c1=O ZINC000591686618 355362429 /nfs/dbraw/zinc/36/24/29/355362429.db2.gz WPWIYFGYXLCWBC-XYPYZODXSA-N 1 0 323.349 1.308 20 5 DDBDRO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000592205583 355536845 /nfs/dbraw/zinc/53/68/45/355536845.db2.gz DBOWGBVAMPIWTL-MPKXVKKWSA-N 1 0 308.334 1.512 20 5 DDBDRO Cc1ccccc1C1([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000592139335 355510043 /nfs/dbraw/zinc/51/00/43/355510043.db2.gz AIQKZJIHJJRXBQ-AWEZNQCLSA-N 1 0 316.361 1.740 20 5 DDBDRO CC[C@H]1CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC[C@H]1[NH3+] ZINC000592486136 355596011 /nfs/dbraw/zinc/59/60/11/355596011.db2.gz SLZRBMANGZMYBE-GXTWGEPZSA-N 1 0 320.393 1.901 20 5 DDBDRO CC[C@@H]1CN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000592486187 355596335 /nfs/dbraw/zinc/59/63/35/355596335.db2.gz YOUIANVAXQASEI-LALPHHSUSA-N 1 0 320.393 1.981 20 5 DDBDRO COc1ncncc1CN(CC[NH3+])c1ccccc1[N+](=O)[O-] ZINC000592512302 355608424 /nfs/dbraw/zinc/60/84/24/355608424.db2.gz DXWDHWUEEBULRG-UHFFFAOYSA-N 1 0 303.322 1.359 20 5 DDBDRO C[C@@H]1CN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@H](C)[NH2+]1 ZINC000592427705 355580058 /nfs/dbraw/zinc/58/00/58/355580058.db2.gz RKONEVOKSPDUEB-PHIMTYICSA-N 1 0 307.350 1.548 20 5 DDBDRO C[NH2+]C[C@H]1CCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000592428508 355580553 /nfs/dbraw/zinc/58/05/53/355580553.db2.gz VEEYAUCFIILRQR-LLVKDONJSA-N 1 0 307.350 1.407 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000592543795 355622354 /nfs/dbraw/zinc/62/23/54/355622354.db2.gz KXUURVREONGTPX-NSHDSACASA-N 1 0 307.350 1.865 20 5 DDBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000592568771 355632608 /nfs/dbraw/zinc/63/26/08/355632608.db2.gz YUSOMNBLHBVKAN-QWRGUYRKSA-N 1 0 317.349 1.636 20 5 DDBDRO O=C(CNc1ccccc1[N+](=O)[O-])N[C@H]1CC[NH2+]C12CCCC2 ZINC000592571411 355633510 /nfs/dbraw/zinc/63/35/10/355633510.db2.gz ZVHSYONQQBKLCL-AWEZNQCLSA-N 1 0 318.377 1.798 20 5 DDBDRO CCO[C@@H]1CN(C/C=C\c2ccccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000593314862 355852640 /nfs/dbraw/zinc/85/26/40/355852640.db2.gz GSPPKONZLPSXOP-QAOXIVLQSA-N 1 0 305.378 1.904 20 5 DDBDRO CC(C)[NH+]1CCN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000593402741 355874600 /nfs/dbraw/zinc/87/46/00/355874600.db2.gz NIYWBVGGVNQFHX-UHFFFAOYSA-N 1 0 309.341 1.829 20 5 DDBDRO CCO[C@@H]1CN(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000593759393 355989291 /nfs/dbraw/zinc/98/92/91/355989291.db2.gz XVDNEDZHTJQXIJ-BXUZGUMPSA-N 1 0 322.365 1.731 20 5 DDBDRO O=C(NCCC1CC[NH2+]CC1)NCc1cccc([N+](=O)[O-])c1 ZINC000593704487 355972381 /nfs/dbraw/zinc/97/23/81/355972381.db2.gz LPHQQTPBEJIHBD-UHFFFAOYSA-N 1 0 306.366 1.784 20 5 DDBDRO Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)NC[C@@H](C)[NH3+])c1 ZINC000593905078 356051538 /nfs/dbraw/zinc/05/15/38/356051538.db2.gz KNQHWMZEIOQQOD-SNVBAGLBSA-N 1 0 317.349 1.225 20 5 DDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000593910126 356054857 /nfs/dbraw/zinc/05/48/57/356054857.db2.gz RLCKZFHKEHTBDU-KBPBESRZSA-N 1 0 303.362 1.784 20 5 DDBDRO C[C@H]1CCCN(C(=O)CCn2cc([N+](=O)[O-])cn2)[C@@H]1CC[NH3+] ZINC000593917904 356059749 /nfs/dbraw/zinc/05/97/49/356059749.db2.gz ZSLPMYDDPMETIQ-WCQYABFASA-N 1 0 309.370 1.157 20 5 DDBDRO Nc1c(C(=O)NCCC2CC[NH2+]CC2)cc(F)cc1[N+](=O)[O-] ZINC000593918796 356060442 /nfs/dbraw/zinc/06/04/42/356060442.db2.gz JIFVHZRPKZMCPT-UHFFFAOYSA-N 1 0 310.329 1.436 20 5 DDBDRO COc1ccc(NC(=O)[C@@H]2C[C@]23CCC[NH2+]C3)cc1[N+](=O)[O-] ZINC000594437290 356213307 /nfs/dbraw/zinc/21/33/07/356213307.db2.gz VIGZRIQEFKXAMS-NHYWBVRUSA-N 1 0 305.334 1.932 20 5 DDBDRO CC[N@H+](C)C[C@@H](O)COc1ccc(C(=O)OC)c([N+](=O)[O-])c1 ZINC000594571495 356252645 /nfs/dbraw/zinc/25/26/45/356252645.db2.gz HRDPKWLDIQWLGV-SNVBAGLBSA-N 1 0 312.322 1.073 20 5 DDBDRO Cc1sc(S(=O)(=O)NCC[C@H](C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000594822281 356327934 /nfs/dbraw/zinc/32/79/34/356327934.db2.gz VIHXRGNGWLUBNI-QMMMGPOBSA-N 1 0 321.424 1.583 20 5 DDBDRO O=C(c1ccc([N+](=O)[O-])cn1)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000595224879 356411491 /nfs/dbraw/zinc/41/14/91/356411491.db2.gz JEIRUCFESFONGK-IUODEOHRSA-N 1 0 318.377 1.984 20 5 DDBDRO C[NH2+]C[C@H](C)NC(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1C ZINC000595231882 356412842 /nfs/dbraw/zinc/41/28/42/356412842.db2.gz FHKWOHXNCYYNRQ-QMMMGPOBSA-N 1 0 324.337 1.419 20 5 DDBDRO C[C@@H]1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H](C[NH3+])C1 ZINC000595257940 356422806 /nfs/dbraw/zinc/42/28/06/356422806.db2.gz DISMBABPGDPJSF-ZJUUUORDSA-N 1 0 321.333 1.523 20 5 DDBDRO O=[N+]([O-])c1cc(F)ccc1CN1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000595336783 356453880 /nfs/dbraw/zinc/45/38/80/356453880.db2.gz RKOFXPJXAQZBEW-ZDUSSCGKSA-N 1 0 323.368 1.888 20 5 DDBDRO CO[C@H](C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C1CCC1 ZINC000595290629 356434449 /nfs/dbraw/zinc/43/44/49/356434449.db2.gz XHFMPLZDTGBHOU-OAHLLOKOSA-N 1 0 320.393 1.927 20 5 DDBDRO CS[C@H]1CN(Cc2onc(C)c2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000595403930 356480322 /nfs/dbraw/zinc/48/03/22/356480322.db2.gz NHAPSZBTMISFLL-ONGXEEELSA-N 1 0 300.384 1.369 20 5 DDBDRO COCC1([NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2)CCOCC1 ZINC000595502540 356521560 /nfs/dbraw/zinc/52/15/60/356521560.db2.gz ZFLKVRVRYRXDPF-UHFFFAOYSA-N 1 0 310.350 1.889 20 5 DDBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000595608844 356575704 /nfs/dbraw/zinc/57/57/04/356575704.db2.gz XJRAZMVJFXZACX-CYBMUJFWSA-N 1 0 317.349 1.587 20 5 DDBDRO CO[C@@H]1CCC[C@@H]([C@@H](CO)[NH2+]Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595634944 356586139 /nfs/dbraw/zinc/58/61/39/356586139.db2.gz RSQOEEMGDIEQOQ-IJLUTSLNSA-N 1 0 313.354 1.547 20 5 DDBDRO CCOc1cc(C[NH2+][C@@H]2CCO[C@@H]2C(=O)OC)ccc1[N+](=O)[O-] ZINC000595665270 356600307 /nfs/dbraw/zinc/60/03/07/356600307.db2.gz XRLFUFSTFBNCQJ-RISCZKNCSA-N 1 0 324.333 1.414 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@@H]1[C@H](C)O ZINC000595766831 356644144 /nfs/dbraw/zinc/64/41/44/356644144.db2.gz RSELMDFXVOYNNE-SMDDNHRTSA-N 1 0 307.350 1.687 20 5 DDBDRO CCOc1cc(C(=O)N(C)CC[NH2+]C)c([N+](=O)[O-])cc1OC ZINC000237033289 202128154 /nfs/dbraw/zinc/12/81/54/202128154.db2.gz IIIMPALFKCDVQF-UHFFFAOYSA-N 1 0 311.338 1.294 20 5 DDBDRO [NH3+][C@@H]1CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC[C@H]1F ZINC000595907132 356701077 /nfs/dbraw/zinc/70/10/77/356701077.db2.gz QVYDKBZJNPHLHL-GHMZBOCLSA-N 1 0 310.329 1.295 20 5 DDBDRO CN(CC(C)(C)[NH3+])C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000595949113 356719256 /nfs/dbraw/zinc/71/92/56/356719256.db2.gz XNIGTSKDGXEANA-UHFFFAOYSA-N 1 0 309.322 1.175 20 5 DDBDRO C[NH2+]C[C@@H]1CCCN(C(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000237175973 202176120 /nfs/dbraw/zinc/17/61/20/202176120.db2.gz USWSDWBZOMSUKD-LBPRGKRZSA-N 1 0 307.350 1.432 20 5 DDBDRO CC(C)[NH+]1CCC(Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000596061242 356757979 /nfs/dbraw/zinc/75/79/79/356757979.db2.gz HMBGUCMASSRTFB-UHFFFAOYSA-N 1 0 306.366 1.978 20 5 DDBDRO C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)C[N@@H+]1C1CC1 ZINC000596155928 356794150 /nfs/dbraw/zinc/79/41/50/356794150.db2.gz LMIOSNNLWHJNBY-ONGXEEELSA-N 1 0 304.350 1.731 20 5 DDBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2c2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596166795 356799494 /nfs/dbraw/zinc/79/94/94/356799494.db2.gz WQOGNJRHMGBWAQ-RISCZKNCSA-N 1 0 318.377 1.614 20 5 DDBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596230645 356825446 /nfs/dbraw/zinc/82/54/46/356825446.db2.gz BOFPULDAMFBQOU-BXUZGUMPSA-N 1 0 318.377 1.757 20 5 DDBDRO C[C@H](C(=O)N1CCC2(C[NH+](C)C2)C1)c1cccc([N+](=O)[O-])c1 ZINC000597572846 357233859 /nfs/dbraw/zinc/23/38/59/357233859.db2.gz UJPOLEODOIMVBU-LBPRGKRZSA-N 1 0 303.362 1.862 20 5 DDBDRO COc1cc(C(=O)N2CC[C@H]([NH+](C)C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000597700345 357290953 /nfs/dbraw/zinc/29/09/53/357290953.db2.gz MTGLQSPXQZXOIP-PWSUYJOCSA-N 1 0 307.350 1.768 20 5 DDBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H](CO)C[NH+](C)C ZINC000597654552 357270257 /nfs/dbraw/zinc/27/02/57/357270257.db2.gz TYXUCIHDGMYHRY-SNVBAGLBSA-N 1 0 315.757 1.209 20 5 DDBDRO CCC[N@@H+]1CC[C@@H](NC(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000598342483 357545750 /nfs/dbraw/zinc/54/57/50/357545750.db2.gz JBUZRGUUVCDAOP-GFCCVEGCSA-N 1 0 307.350 1.574 20 5 DDBDRO COC(=O)c1ccnc(N2CC[C@H]([NH+]3CC=CC3)C2)c1[N+](=O)[O-] ZINC000598599363 357648525 /nfs/dbraw/zinc/64/85/25/357648525.db2.gz MIHHTHUARHIRPU-NSHDSACASA-N 1 0 318.333 1.227 20 5 DDBDRO [NH3+][C@@]12CCC[C@@H]1CN(C(=O)COc1ccccc1[N+](=O)[O-])C2 ZINC000598666938 357677498 /nfs/dbraw/zinc/67/74/98/357677498.db2.gz CIVNXJRRIXBTND-IAQYHMDHSA-N 1 0 305.334 1.313 20 5 DDBDRO CC(C)[C@@H]1CN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000598569137 357635125 /nfs/dbraw/zinc/63/51/25/357635125.db2.gz AUMHHFYYHVZNMU-ZDUSSCGKSA-N 1 0 320.393 1.487 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000598682517 357685491 /nfs/dbraw/zinc/68/54/91/357685491.db2.gz OATIFWGITWVQOJ-LRDDRELGSA-N 1 0 318.377 1.655 20 5 DDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000598684996 357686594 /nfs/dbraw/zinc/68/65/94/357686594.db2.gz ZREDWWUXSYRSDR-XHBSWPGZSA-N 1 0 318.377 1.735 20 5 DDBDRO Cc1ccc(S(=O)(=O)N[C@@H](C)[C@@H](C)[NH3+])c(C)c1[N+](=O)[O-] ZINC000598713293 357701040 /nfs/dbraw/zinc/70/10/40/357701040.db2.gz AHPTXWJQXNBLEO-ZJUUUORDSA-N 1 0 301.368 1.226 20 5 DDBDRO [NH3+][C@@]12CCC[C@H]1CN(S(=O)(=O)c1ccccc1[N+](=O)[O-])C2 ZINC000598717995 357702276 /nfs/dbraw/zinc/70/22/76/357702276.db2.gz BAGUYQSXIVSKRY-GXFFZTMASA-N 1 0 311.363 1.097 20 5 DDBDRO C[NH2+]C[C@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000178992432 198965634 /nfs/dbraw/zinc/96/56/34/198965634.db2.gz MBFPAXMPFOMHKU-SNVBAGLBSA-N 1 0 311.769 1.859 20 5 DDBDRO C[NH+]1CCN(CCNc2ccc3cnccc3c2[N+](=O)[O-])CC1 ZINC000599016096 357794437 /nfs/dbraw/zinc/79/44/37/357794437.db2.gz JWXJCLPCKGKEKY-UHFFFAOYSA-N 1 0 315.377 1.802 20 5 DDBDRO C[C@H]1CC[C@H](NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C[NH2+]1 ZINC000599102892 357815566 /nfs/dbraw/zinc/81/55/66/357815566.db2.gz GTTNTDDVZAYXGU-JQWIXIFHSA-N 1 0 313.379 1.155 20 5 DDBDRO Cc1cc(NC[C@@H]2COCCN2C)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000599159400 357832688 /nfs/dbraw/zinc/83/26/88/357832688.db2.gz BKNZIBLRBVFVCR-CYBMUJFWSA-N 1 0 316.361 1.616 20 5 DDBDRO O=[N+]([O-])c1ccc2ccnc(NCC[N@H+]3CC[C@@H](O)C3)c2c1 ZINC000599175713 357840585 /nfs/dbraw/zinc/84/05/85/357840585.db2.gz IZONVQPXFMCKKW-CYBMUJFWSA-N 1 0 302.334 1.622 20 5 DDBDRO CC(=O)NC[C@@H]1CCCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000599704193 358033466 /nfs/dbraw/zinc/03/34/66/358033466.db2.gz QKGOGXSPNJXWMT-HNNXBMFYSA-N 1 0 321.377 1.964 20 5 DDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCC1([NH3+])CCOCC1 ZINC000599930955 358084059 /nfs/dbraw/zinc/08/40/59/358084059.db2.gz QONTUGALCXMHBM-UHFFFAOYSA-N 1 0 322.365 1.244 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)NC[C@@H]2CCCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000600312319 358191979 /nfs/dbraw/zinc/19/19/79/358191979.db2.gz DZZYAYVHDKHJBU-NSHDSACASA-N 1 0 323.397 1.903 20 5 DDBDRO O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)c1ccc([N+](=O)[O-])cn1 ZINC000600473127 358234343 /nfs/dbraw/zinc/23/43/43/358234343.db2.gz RFDADZSXFJXQNO-GFCCVEGCSA-N 1 0 304.350 1.737 20 5 DDBDRO C[C@@H]1[NH2+]CC[C@H]1Nc1ccc([N+](=O)[O-])c(N2CCOCC2)c1F ZINC000600675339 358279619 /nfs/dbraw/zinc/27/96/19/358279619.db2.gz LLXMDSUFQKAVGW-WDEREUQCSA-N 1 0 324.356 1.733 20 5 DDBDRO C[C@]12C[NH2+]C[C@@]1(C)CN(CC(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC000600743524 358304670 /nfs/dbraw/zinc/30/46/70/358304670.db2.gz MQNJABQMGUTIGL-IYBDPMFKSA-N 1 0 318.377 1.465 20 5 DDBDRO COc1cc(C[N@@H+]2CC[C@@H]([C@H](C)O)C2)c([N+](=O)[O-])cc1OC ZINC000180860869 199220347 /nfs/dbraw/zinc/22/03/47/199220347.db2.gz RFYHUUHNTCHBKA-WDEREUQCSA-N 1 0 310.350 1.815 20 5 DDBDRO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NC1CC[NH+](C)CC1 ZINC000601101235 358402956 /nfs/dbraw/zinc/40/29/56/358402956.db2.gz UUKVMGVGHHNFDV-UHFFFAOYSA-N 1 0 307.276 1.853 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000601559414 358600686 /nfs/dbraw/zinc/60/06/86/358600686.db2.gz POJBXNXEPSPKMY-PHIMTYICSA-N 1 0 320.349 1.962 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H]1CCC[C@H]1CCO ZINC000348155287 283393894 /nfs/dbraw/zinc/39/38/94/283393894.db2.gz BYFQUVZCXWMXOM-JSGCOSHPSA-N 1 0 321.377 1.982 20 5 DDBDRO C[NH+](C)[C@@H]1C[C@@H](NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1(C)C ZINC000602169717 358860678 /nfs/dbraw/zinc/86/06/78/358860678.db2.gz GYQVHBALIIDALL-VXGBXAGGSA-N 1 0 323.397 1.371 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[NH2+]C[C@H]2CCN(c3ccccc3)C2)c1 ZINC000602570455 359049599 /nfs/dbraw/zinc/04/95/99/359049599.db2.gz VNKLOIPMRZPDSF-CQSZACIVSA-N 1 0 315.377 1.907 20 5 DDBDRO C[NH2+]CCOCCN(C)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000602544214 359036580 /nfs/dbraw/zinc/03/65/80/359036580.db2.gz GAPCDHHDZALCJN-UHFFFAOYSA-N 1 0 309.366 1.222 20 5 DDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000602557221 359044063 /nfs/dbraw/zinc/04/40/63/359044063.db2.gz YJCPREGEAXGNTB-GHMZBOCLSA-N 1 0 307.350 1.864 20 5 DDBDRO Cn1cc(C[N@@H+]2CC[C@](CO)(c3ccccc3)C2)c([N+](=O)[O-])n1 ZINC000602677053 359120376 /nfs/dbraw/zinc/12/03/76/359120376.db2.gz QBJOOQCDYNOQLH-INIZCTEOSA-N 1 0 316.361 1.464 20 5 DDBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]CCN3CCCOCC3)nc2c1 ZINC000602662356 359109648 /nfs/dbraw/zinc/10/96/48/359109648.db2.gz MFIAJILYXXOHBD-UHFFFAOYSA-N 1 0 320.349 1.548 20 5 DDBDRO CCN(C#N)CCN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000602794249 359196375 /nfs/dbraw/zinc/19/63/75/359196375.db2.gz MXPQUBDBFFMNIN-GFCCVEGCSA-N 1 0 304.354 1.279 20 5 DDBDRO COC(=O)CC1([NH2+]CCn2c(C)ncc2[N+](=O)[O-])CCCCC1 ZINC000602798028 359199330 /nfs/dbraw/zinc/19/93/30/359199330.db2.gz UPRPFDNSTHMZLH-UHFFFAOYSA-N 1 0 324.381 1.955 20 5 DDBDRO Cn1cncc1CCC[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602961466 359324165 /nfs/dbraw/zinc/32/41/65/359324165.db2.gz AEYPQKGSGRKXGG-MRXNPFEDSA-N 1 0 318.377 1.758 20 5 DDBDRO C[C@](CO)([NH2+]CCO[C@@H]1CC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000602962542 359324932 /nfs/dbraw/zinc/32/49/32/359324932.db2.gz MIPVPJHBGMGWDA-CHWSQXEVSA-N 1 0 316.304 1.816 20 5 DDBDRO C[C@H]([NH2+][C@H]1C[C@H](O)C1(C)C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000565666776 304083362 /nfs/dbraw/zinc/08/33/62/304083362.db2.gz STZBYVURNRLREI-XDTLVQLUSA-N 1 0 307.350 1.671 20 5 DDBDRO O=[N+]([O-])c1ccc(OCCn2cc(C[C@H]3CC[NH2+]C3)nn2)cc1 ZINC000603199565 359474826 /nfs/dbraw/zinc/47/48/26/359474826.db2.gz CELIIXWNMNIDJD-GFCCVEGCSA-N 1 0 317.349 1.417 20 5 DDBDRO Cn1cc(CN2CCOc3ccc(C[NH3+])cc32)c([N+](=O)[O-])n1 ZINC000603428335 359634474 /nfs/dbraw/zinc/63/44/74/359634474.db2.gz IFWYHUYYSKIQNM-UHFFFAOYSA-N 1 0 303.322 1.186 20 5 DDBDRO COc1ccc(CNC(=O)N[C@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000604290929 359733207 /nfs/dbraw/zinc/73/32/07/359733207.db2.gz QWKPTCCSHRUJMQ-LBPRGKRZSA-N 1 0 322.365 1.497 20 5 DDBDRO CN1CCC[C@H]([NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000604532825 359762063 /nfs/dbraw/zinc/76/20/63/359762063.db2.gz NPZHTUREJKGCAC-LBPRGKRZSA-N 1 0 307.350 1.550 20 5 DDBDRO CC[N@H+](C)C[C@@H]1CCN(c2nc(C(=O)OC)ccc2[N+](=O)[O-])C1 ZINC000281176142 216132076 /nfs/dbraw/zinc/13/20/76/216132076.db2.gz NAVZAMYOXSSOHO-NSHDSACASA-N 1 0 322.365 1.554 20 5 DDBDRO COc1cc(C[NH2+][C@@H]2CCCN(C)C2)c([N+](=O)[O-])cc1OC ZINC000608782073 360241953 /nfs/dbraw/zinc/24/19/53/360241953.db2.gz SCKUNFSSKSTSMS-GFCCVEGCSA-N 1 0 309.366 1.796 20 5 DDBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000609399947 360304629 /nfs/dbraw/zinc/30/46/29/360304629.db2.gz WQHFQAPPSRXFHA-CQSZACIVSA-N 1 0 318.377 1.878 20 5 DDBDRO C[N@@H+]1CCC[C@@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000609257952 360276989 /nfs/dbraw/zinc/27/69/89/360276989.db2.gz XMJKJWLLMUPOQT-GFCCVEGCSA-N 1 0 307.350 1.574 20 5 DDBDRO Cc1nn(C)c(C(=O)N[C@H](C)C2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000609583558 360328836 /nfs/dbraw/zinc/32/88/36/360328836.db2.gz PIJBDLYSVQAMQS-SECBINFHSA-N 1 0 309.370 1.097 20 5 DDBDRO Cc1cnc(N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c([N+](=O)[O-])c1 ZINC000610284065 360408545 /nfs/dbraw/zinc/40/85/45/360408545.db2.gz MSGHWZFQTSSVBK-GXTWGEPZSA-N 1 0 306.366 1.334 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2CCc3c2cccc3F)c1 ZINC000610336024 360415809 /nfs/dbraw/zinc/41/58/09/360415809.db2.gz FKYKRWUVFMQUSO-ABAIWWIYSA-N 1 0 320.324 1.568 20 5 DDBDRO CNc1ccc(C(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000565832684 304095961 /nfs/dbraw/zinc/09/59/61/304095961.db2.gz PXHFONOCBXFECY-CMPLNLGQSA-N 1 0 306.366 1.754 20 5 DDBDRO CC[N@@H+]1CCN(C(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000611087362 360618320 /nfs/dbraw/zinc/61/83/20/360618320.db2.gz BOJVPDDJSCYCCG-LBPRGKRZSA-N 1 0 321.377 1.699 20 5 DDBDRO CC[N@@H+]1CCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000611092124 360621402 /nfs/dbraw/zinc/62/14/02/360621402.db2.gz JFIFQSJQYSRZOS-STQMWFEESA-N 1 0 320.393 1.948 20 5 DDBDRO COC(=O)[C@H]1CCCC[C@@]1(C)[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000272036748 209406523 /nfs/dbraw/zinc/40/65/23/209406523.db2.gz NWKOEODDKDRIMA-BXUZGUMPSA-N 1 0 310.354 1.503 20 5 DDBDRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000611512045 360742595 /nfs/dbraw/zinc/74/25/95/360742595.db2.gz YACOOVGFGPIIHO-SNVBAGLBSA-N 1 0 319.317 1.290 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[NH+](C[C@@H]3CCOC3)CC2)n1 ZINC000611616771 360776811 /nfs/dbraw/zinc/77/68/11/360776811.db2.gz MBEOCQYLNXXVME-AWEZNQCLSA-N 1 0 320.393 1.765 20 5 DDBDRO COc1ccc(NC(=O)N[C@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000611826383 360836559 /nfs/dbraw/zinc/83/65/59/360836559.db2.gz HLKOQLWWOSHWHQ-NSHDSACASA-N 1 0 308.338 1.819 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)NC2CC[NH+](C(C)(C)C)CC2)n1 ZINC000191779530 200762299 /nfs/dbraw/zinc/76/22/99/200762299.db2.gz SVQFSJDVORUYOD-UHFFFAOYSA-N 1 0 323.397 1.804 20 5 DDBDRO O=C(CNc1ccccc1[N+](=O)[O-])N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000292845607 223270819 /nfs/dbraw/zinc/27/08/19/223270819.db2.gz CPFJUJWFVYAXTP-VXGBXAGGSA-N 1 0 304.350 1.217 20 5 DDBDRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 ZINC000565932524 304104233 /nfs/dbraw/zinc/10/42/33/304104233.db2.gz YVXZWNSFLHPFIQ-NXEZZACHSA-N 1 0 321.333 1.223 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCC12CCC[NH+]1CCC2 ZINC000619573897 364067922 /nfs/dbraw/zinc/06/79/22/364067922.db2.gz CAMWTVQXIGDSJX-UHFFFAOYSA-N 1 0 321.381 1.234 20 5 DDBDRO C[NH+](C)C1CC(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000619873083 364170382 /nfs/dbraw/zinc/17/03/82/364170382.db2.gz ZAYLPLHFFSHXRK-UHFFFAOYSA-N 1 0 302.334 1.899 20 5 DDBDRO CO[C@@H]1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000359209183 299356248 /nfs/dbraw/zinc/35/62/48/299356248.db2.gz IJSZMNMYCBAZSC-LSDHHAIUSA-N 1 0 321.377 1.492 20 5 DDBDRO O=C(NCc1ccccc1[N+](=O)[O-])N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000359224452 299364030 /nfs/dbraw/zinc/36/40/30/299364030.db2.gz IKCVZFYGXOTTEJ-GFCCVEGCSA-N 1 0 304.350 1.631 20 5 DDBDRO Cc1cccc(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)c1[N+](=O)[O-] ZINC000261678060 203092620 /nfs/dbraw/zinc/09/26/20/203092620.db2.gz DCANECIUEDNAJV-BETUJISGSA-N 1 0 303.362 1.975 20 5 DDBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000265032561 204356180 /nfs/dbraw/zinc/35/61/80/204356180.db2.gz XOXVZKJKCPBUIV-LLVKDONJSA-N 1 0 309.370 1.621 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H]1CO ZINC000265463895 204631921 /nfs/dbraw/zinc/63/19/21/204631921.db2.gz HIAICKZNCACTHS-ZDUSSCGKSA-N 1 0 307.350 1.689 20 5 DDBDRO CN(CCc1cccc([N+](=O)[O-])c1)C[C@H]1CCS(=O)(=O)C1 ZINC000282557537 217086601 /nfs/dbraw/zinc/08/66/01/217086601.db2.gz XWOLDAFXJICKFO-CYBMUJFWSA-N 1 0 312.391 1.504 20 5 DDBDRO NC(=O)[C@H](Cc1ccccc1)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000351439815 284325859 /nfs/dbraw/zinc/32/58/59/284325859.db2.gz HNSHIPZHAMUVKT-HNNXBMFYSA-N 1 0 313.357 1.824 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000351476172 284330575 /nfs/dbraw/zinc/33/05/75/284330575.db2.gz JTAHKEJNDTYVTP-YUTCNCBUSA-N 1 0 318.377 1.511 20 5 DDBDRO C[C@H]([NH2+]C[C@@H](O)COC1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000271685689 209125585 /nfs/dbraw/zinc/12/55/85/209125585.db2.gz DIVNHBTUACFMHC-QWHCGFSZSA-N 1 0 324.377 1.802 20 5 DDBDRO CC[NH+]1CCC(N[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000266215332 205188320 /nfs/dbraw/zinc/18/83/20/205188320.db2.gz YPQLRUHZJROZGG-LBPRGKRZSA-N 1 0 320.393 1.996 20 5 DDBDRO C[N@H+](C[C@@H](O)CN1CCc2ccc([N+](=O)[O-])cc2C1)C1CC1 ZINC000351543671 284370110 /nfs/dbraw/zinc/37/01/10/284370110.db2.gz SVCSBLYRIFPCGE-MRXNPFEDSA-N 1 0 305.378 1.408 20 5 DDBDRO O=C(N[C@@H](CO)C[NH+]1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000288460677 220157722 /nfs/dbraw/zinc/15/77/22/220157722.db2.gz JZRYWRCEWHQSAM-GFCCVEGCSA-N 1 0 307.350 1.171 20 5 DDBDRO C[N@H+](C[C@@H](O)CNCCNc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001120468339 781964807 /nfs/dbraw/zinc/96/48/07/781964807.db2.gz MGBBDEGPRUUCDR-HNNXBMFYSA-N 1 0 308.382 1.051 20 5 DDBDRO C[C@H]1C[C@@H](CO)CC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000288573632 220251881 /nfs/dbraw/zinc/25/18/81/220251881.db2.gz BLLUILYXXDOUDF-YDHLFZDLSA-N 1 0 324.377 1.427 20 5 DDBDRO NC(=O)CC1(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000566910898 304187527 /nfs/dbraw/zinc/18/75/27/304187527.db2.gz LGMIIMWJPQOBFE-UHFFFAOYSA-N 1 0 320.349 1.169 20 5 DDBDRO C[N@@H+]1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000579569450 422791776 /nfs/dbraw/zinc/79/17/76/422791776.db2.gz QPYBRTIWKQSRJQ-UHFFFAOYSA-N 1 0 306.366 1.559 20 5 DDBDRO Cc1ccc(C[N@H+]2CC[C@@H]3OCCN(C)[C@H]3C2)cc1[N+](=O)[O-] ZINC000284504878 218056072 /nfs/dbraw/zinc/05/60/72/218056072.db2.gz XXKNHUTVJNGTLR-HOTGVXAUSA-N 1 0 305.378 1.808 20 5 DDBDRO O=C(N[C@@H](CO)C[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000288578537 220255360 /nfs/dbraw/zinc/25/53/60/220255360.db2.gz RJLJXNSHQNHZAI-CYBMUJFWSA-N 1 0 307.350 1.171 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000338583384 250039373 /nfs/dbraw/zinc/03/93/73/250039373.db2.gz ZFYFCMUPCNVMDP-LLVKDONJSA-N 1 0 319.361 1.960 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@@H]([NH+](C)C)C1 ZINC000109808337 194288495 /nfs/dbraw/zinc/28/84/95/194288495.db2.gz ZKNOSRGXCDIFNC-CQSZACIVSA-N 1 0 320.393 1.868 20 5 DDBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000109966743 194300605 /nfs/dbraw/zinc/30/06/05/194300605.db2.gz VEHCQVZXAIHOKJ-ZDUSSCGKSA-N 1 0 323.397 1.480 20 5 DDBDRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000340472096 251071364 /nfs/dbraw/zinc/07/13/64/251071364.db2.gz AOIUPGQMHVSXAJ-NSHDSACASA-N 1 0 310.354 1.010 20 5 DDBDRO CC(C)(C)[NH2+]CCNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000340578523 251120432 /nfs/dbraw/zinc/12/04/32/251120432.db2.gz KSKBUAODOFMYRK-UHFFFAOYSA-N 1 0 308.382 1.901 20 5 DDBDRO COCC[N@@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC)C1 ZINC000340969554 251309488 /nfs/dbraw/zinc/30/94/88/251309488.db2.gz SLUGMVGBBUQRRR-NSHDSACASA-N 1 0 323.349 1.054 20 5 DDBDRO COc1cc(C(=O)NC2CC[NH2+]CC2)cc([N+](=O)[O-])c1OC ZINC000269115300 207252526 /nfs/dbraw/zinc/25/25/26/207252526.db2.gz UDXWPBNNJBPTCV-UHFFFAOYSA-N 1 0 309.322 1.094 20 5 DDBDRO COc1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH3+])cc([N+](=O)[O-])c1OC ZINC000269131676 207264071 /nfs/dbraw/zinc/26/40/71/207264071.db2.gz LGUAXBJOVDUMGP-GHMZBOCLSA-N 1 0 323.349 1.612 20 5 DDBDRO C[NH+](C)C1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000066395752 184406491 /nfs/dbraw/zinc/40/64/91/184406491.db2.gz KNYORYRDTLZZOD-UHFFFAOYSA-N 1 0 306.366 1.559 20 5 DDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)CCC[NH3+] ZINC000567850780 304247812 /nfs/dbraw/zinc/24/78/12/304247812.db2.gz AFCXBMQTIDSFCX-UHFFFAOYSA-N 1 0 301.368 1.127 20 5 DDBDRO C[C@]1(CNC(=O)CNc2ccccc2[N+](=O)[O-])CCC[NH2+]C1 ZINC000273001213 210379586 /nfs/dbraw/zinc/37/95/86/210379586.db2.gz MYRGQXZQPNPDOX-HNNXBMFYSA-N 1 0 306.366 1.513 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@]2(C)CCC[NH2+]C2)c1 ZINC000272969050 210352451 /nfs/dbraw/zinc/35/24/51/210352451.db2.gz GYTIRCDXQYRMOK-OAHLLOKOSA-N 1 0 307.350 1.723 20 5 DDBDRO [NH3+][C@H]1CCCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000158212164 197252872 /nfs/dbraw/zinc/25/28/72/197252872.db2.gz GOZZVPXKNSKGNT-LBPRGKRZSA-N 1 0 315.333 1.344 20 5 DDBDRO C[C@@H](NC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)[C@H](C)[NH3+] ZINC000418690640 533113677 /nfs/dbraw/zinc/11/36/77/533113677.db2.gz DAOOZBLJNNOKQW-VHSXEESVSA-N 1 0 308.338 1.103 20 5 DDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000157712584 197209959 /nfs/dbraw/zinc/20/99/59/197209959.db2.gz AHZPSSCYXCLFNZ-MFKMUULPSA-N 1 0 306.366 1.518 20 5 DDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)[C@H]1CCC[C@@H]1O ZINC000352661577 285205638 /nfs/dbraw/zinc/20/56/38/285205638.db2.gz UHYODYGAFIUJQW-SWHYSGLUSA-N 1 0 307.350 1.767 20 5 DDBDRO CNC(=O)CCC[N@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000155199891 197031103 /nfs/dbraw/zinc/03/11/03/197031103.db2.gz MKAHHSGOYMJUAF-UHFFFAOYSA-N 1 0 323.349 1.419 20 5 DDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000289781765 221222347 /nfs/dbraw/zinc/22/23/47/221222347.db2.gz NYOFDSPNBHRCHW-VXGBXAGGSA-N 1 0 305.334 1.042 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(C)cc1OC[C@H](O)CN1CC[NH+](C)CC1 ZINC000414144596 224304929 /nfs/dbraw/zinc/30/49/29/224304929.db2.gz OTALQRBWLPPRGQ-CQSZACIVSA-N 1 0 323.393 1.199 20 5 DDBDRO O=[N+]([O-])c1ccc(N[C@H]2CCC[N@@H+](CCCO)C2)c([N+](=O)[O-])c1 ZINC000295010721 224377197 /nfs/dbraw/zinc/37/71/97/224377197.db2.gz SLMXSDIUKVCGAC-NSHDSACASA-N 1 0 324.337 1.762 20 5 DDBDRO Cc1nn(C)c(C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000352869380 285348124 /nfs/dbraw/zinc/34/81/24/285348124.db2.gz WJXRSTUEQCBWKN-WDEREUQCSA-N 1 0 323.397 1.629 20 5 DDBDRO CC[N@@H+]1CC[C@H](CNC(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000121607041 195316367 /nfs/dbraw/zinc/31/63/67/195316367.db2.gz WFSSREXUQKGFRQ-GFCCVEGCSA-N 1 0 307.350 1.432 20 5 DDBDRO COc1cc(C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)cc([N+](=O)[O-])c1C ZINC000422818542 533527034 /nfs/dbraw/zinc/52/70/34/533527034.db2.gz GRJXGPMBIJVWHJ-NXEZZACHSA-N 1 0 307.350 1.734 20 5 DDBDRO COc1ccc(CNC(=O)NC[C@@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000417181131 533614266 /nfs/dbraw/zinc/61/42/66/533614266.db2.gz HSJWNYCCIZQHBV-LLVKDONJSA-N 1 0 310.354 1.386 20 5 DDBDRO Cc1n[nH]c(C(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000299529279 533667936 /nfs/dbraw/zinc/66/79/36/533667936.db2.gz LJMHPMTVSDYRGR-ZJUUUORDSA-N 1 0 309.370 1.477 20 5 DDBDRO Cc1nc(N2CCC[C@@H]([NH+]3CCOCC3)CC2)ncc1[N+](=O)[O-] ZINC000568651020 304304724 /nfs/dbraw/zinc/30/47/24/304304724.db2.gz GCRWCJYWJLMFKH-CYBMUJFWSA-N 1 0 321.381 1.384 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H]1C[C@@H](O)C1(C)C ZINC000568897698 304320820 /nfs/dbraw/zinc/32/08/20/304320820.db2.gz CSIDEBVWGQYKGG-CHWSQXEVSA-N 1 0 307.350 1.591 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H](O)Cn1ccnn1 ZINC000569081581 304334842 /nfs/dbraw/zinc/33/48/42/304334842.db2.gz CLZLJIVIVAWMJW-YPMHNXCESA-N 1 0 305.338 1.206 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H]1CC[C@H](CO)O1 ZINC000353706668 285881407 /nfs/dbraw/zinc/88/14/07/285881407.db2.gz PQUMBCSQBMIHMI-ZIAGYGMSSA-N 1 0 310.350 1.623 20 5 DDBDRO CCN(CC[NH3+])C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000310666599 484382127 /nfs/dbraw/zinc/38/21/27/484382127.db2.gz DGGDPFISQSFORV-UHFFFAOYSA-N 1 0 316.155 1.778 20 5 DDBDRO CNc1ccc(C(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000569926888 304384553 /nfs/dbraw/zinc/38/45/53/304384553.db2.gz YASKPGDCHTUPJX-PWSUYJOCSA-N 1 0 306.366 1.884 20 5 DDBDRO CCCc1n[nH]c(C(=O)NC[C@H]2CCC[N@@H+]2CC)c1[N+](=O)[O-] ZINC000069220834 406692154 /nfs/dbraw/zinc/69/21/54/406692154.db2.gz JPLWMAXQUJVQNB-SNVBAGLBSA-N 1 0 309.370 1.485 20 5 DDBDRO CN(C)CC[NH+]1CCC(CNC(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000074139106 406903873 /nfs/dbraw/zinc/90/38/73/406903873.db2.gz ZPVGVYWINBNCMI-UHFFFAOYSA-N 1 0 324.381 1.191 20 5 DDBDRO CC[NH+]1CCC(NC(=O)c2ccc(NC)c([N+](=O)[O-])c2)CC1 ZINC000029193520 406921532 /nfs/dbraw/zinc/92/15/32/406921532.db2.gz ZBUYJHOCGFRQHN-UHFFFAOYSA-N 1 0 306.366 1.851 20 5 DDBDRO [NH3+]C[C@H]1CCCC[C@@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000089108269 407124173 /nfs/dbraw/zinc/12/41/73/407124173.db2.gz ZYXIXOUPWWWXLZ-MFKMUULPSA-N 1 0 313.379 1.391 20 5 DDBDRO NC(=O)CC1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000051918288 407144738 /nfs/dbraw/zinc/14/47/38/407144738.db2.gz QMESSIVTRNGLGR-UHFFFAOYSA-N 1 0 307.350 1.561 20 5 DDBDRO CCCN(CC[NH+](C)C)C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000102490747 407323702 /nfs/dbraw/zinc/32/37/02/407323702.db2.gz RMKGZUHYLUKYJI-UHFFFAOYSA-N 1 0 311.386 1.327 20 5 DDBDRO Cc1c(NC(=O)CC[N@H+](CCO)C2CC2)cccc1[N+](=O)[O-] ZINC000067965664 407292197 /nfs/dbraw/zinc/29/21/97/407292197.db2.gz YQVBXQNFLFXOLK-UHFFFAOYSA-N 1 0 307.350 1.689 20 5 DDBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000068011973 407293853 /nfs/dbraw/zinc/29/38/53/407293853.db2.gz NQJRFKWOPHTPNQ-JTQLQIEISA-N 1 0 310.329 1.530 20 5 DDBDRO C[C@H]1CCC[N@H+](CCNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C1 ZINC000098093509 407305591 /nfs/dbraw/zinc/30/55/91/407305591.db2.gz TVGQGOIZTVVRTE-JTQLQIEISA-N 1 0 308.338 1.157 20 5 DDBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCCCNC1=O ZINC000105611717 407354789 /nfs/dbraw/zinc/35/47/89/407354789.db2.gz UCXKSFNMZVUYKO-AWEZNQCLSA-N 1 0 307.350 1.574 20 5 DDBDRO CC[N@@H+]1CC[C@H](CNC(=O)c2cc(OC)ccc2[N+](=O)[O-])C1 ZINC000107888944 407381182 /nfs/dbraw/zinc/38/11/82/407381182.db2.gz LSJLYMPUAWBAQS-LLVKDONJSA-N 1 0 307.350 1.675 20 5 DDBDRO CCC(CC)(C[NH3+])NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000111832252 407417237 /nfs/dbraw/zinc/41/72/37/407417237.db2.gz YBEKVYIKPHVNDR-UHFFFAOYSA-N 1 0 315.395 1.532 20 5 DDBDRO CCOC(=O)CCN(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000178558090 407491121 /nfs/dbraw/zinc/49/11/21/407491121.db2.gz SYNWQRLRQHWBKB-UHFFFAOYSA-N 1 0 323.349 1.727 20 5 DDBDRO CC[N@H+](CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000185751101 407493678 /nfs/dbraw/zinc/49/36/78/407493678.db2.gz LDFYBPDHAZRALF-UHFFFAOYSA-N 1 0 313.379 1.357 20 5 DDBDRO COc1cc(C(=O)N2C[C@H](C[NH3+])C[C@@H]2C)cc([N+](=O)[O-])c1OC ZINC000261620142 407554747 /nfs/dbraw/zinc/55/47/47/407554747.db2.gz BTNQEQBZLJABIG-UWVGGRQHSA-N 1 0 323.349 1.421 20 5 DDBDRO C[C@@H]([NH3+])C1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000178836907 407619620 /nfs/dbraw/zinc/61/96/20/407619620.db2.gz PCSYKSAQHFGXMO-MRVPVSSYSA-N 1 0 310.329 1.516 20 5 DDBDRO Cc1ccc(S(=O)(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000227063879 407626685 /nfs/dbraw/zinc/62/66/85/407626685.db2.gz FJMXKRRSUCGGCA-JQWIXIFHSA-N 1 0 313.379 1.261 20 5 DDBDRO C[NH2+][C@@H]1CCCN(CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000261839908 407634531 /nfs/dbraw/zinc/63/45/31/407634531.db2.gz WLYNNMRREFSEJS-GFCCVEGCSA-N 1 0 309.366 1.666 20 5 DDBDRO CCCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000178929752 407660472 /nfs/dbraw/zinc/66/04/72/407660472.db2.gz TUELSDOHDDYLAM-VIFPVBQESA-N 1 0 319.408 1.419 20 5 DDBDRO C[C@@H](C(=O)NCCn1cc([N+](=O)[O-])cn1)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000129965136 407640835 /nfs/dbraw/zinc/64/08/35/407640835.db2.gz RUTCSOCQJFSGIP-SRVKXCTJSA-N 1 0 309.370 1.169 20 5 DDBDRO C[NH2+]C[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000178942369 407666070 /nfs/dbraw/zinc/66/60/70/407666070.db2.gz XBDVCFKKOAKLAN-LLVKDONJSA-N 1 0 313.379 1.133 20 5 DDBDRO O=[N+]([O-])c1ccc(-c2noc(CN3CC[C@H](CO)C3)n2)cc1 ZINC000266898878 407666405 /nfs/dbraw/zinc/66/64/05/407666405.db2.gz GBDGPFDCGNLQKV-JTQLQIEISA-N 1 0 304.306 1.459 20 5 DDBDRO CS(=O)(=O)NCCN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130210712 407664999 /nfs/dbraw/zinc/66/49/99/407664999.db2.gz HWUQCCYFIRQAME-UHFFFAOYSA-N 1 0 313.379 1.108 20 5 DDBDRO C[C@@]1(CCCO)CCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000272064234 407762417 /nfs/dbraw/zinc/76/24/17/407762417.db2.gz XIJWNPQMJFRSDG-HNNXBMFYSA-N 1 0 309.366 1.384 20 5 DDBDRO C[C@@]1(C[NH3+])CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000262196942 407762667 /nfs/dbraw/zinc/76/26/67/407762667.db2.gz ZYJDUSAIGYUVPZ-INIZCTEOSA-N 1 0 318.377 1.980 20 5 DDBDRO C[NH+](C)C[C@H]1CCCCN1C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000187150097 407826266 /nfs/dbraw/zinc/82/62/66/407826266.db2.gz HVMVWOGTLZJULR-LLVKDONJSA-N 1 0 308.338 1.252 20 5 DDBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCC[NH2+]C1 ZINC000237999849 407866497 /nfs/dbraw/zinc/86/64/97/407866497.db2.gz KGWFLJUXQQEMAM-ZDUSSCGKSA-N 1 0 320.393 1.903 20 5 DDBDRO C[C@H](NC(=O)c1cc([N+](=O)[O-])cnc1N)C(C)(C)C[NH+](C)C ZINC000180572395 407901852 /nfs/dbraw/zinc/90/18/52/407901852.db2.gz URWWKBVINXVAQT-VIFPVBQESA-N 1 0 309.370 1.278 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCC[NH2+]C2CC2)c1C ZINC000237779352 407843054 /nfs/dbraw/zinc/84/30/54/407843054.db2.gz PLNRINLHSTZLCX-UHFFFAOYSA-N 1 0 313.379 1.242 20 5 DDBDRO CCc1n[nH]c(C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000268261560 407975671 /nfs/dbraw/zinc/97/56/71/407975671.db2.gz ZJLIJBMCKPXAKK-GZMMTYOYSA-N 1 0 307.354 1.093 20 5 DDBDRO CNC(=O)c1ccc(N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000268171912 407925895 /nfs/dbraw/zinc/92/58/95/407925895.db2.gz QTWXJGVYMYZILG-HZMBPMFUSA-N 1 0 318.377 1.849 20 5 DDBDRO CNC(=O)CC1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000175040863 408037229 /nfs/dbraw/zinc/03/72/29/408037229.db2.gz KUGTWSRCZGSDAI-UHFFFAOYSA-N 1 0 321.377 1.822 20 5 DDBDRO C[C@@H](CS(C)(=O)=O)[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000272564461 407984860 /nfs/dbraw/zinc/98/48/60/407984860.db2.gz FENIVWAFVWKIPZ-VIFPVBQESA-N 1 0 320.798 1.813 20 5 DDBDRO COC(=O)[C@@H](O)C1CC[NH+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000135373719 408008352 /nfs/dbraw/zinc/00/83/52/408008352.db2.gz PYRPPUGCTDTNHI-NHYWBVRUSA-N 1 0 322.361 1.902 20 5 DDBDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000154310266 408013893 /nfs/dbraw/zinc/01/38/93/408013893.db2.gz ZQJWZJJFOGIVNL-CYBMUJFWSA-N 1 0 323.397 1.418 20 5 DDBDRO C[NH2+]C[C@H](C)CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000154674030 408069669 /nfs/dbraw/zinc/06/96/69/408069669.db2.gz XWURLMRPNGSSEN-NSHDSACASA-N 1 0 317.349 1.366 20 5 DDBDRO Cc1ccc(C)c(S(=O)(=O)NCC[NH+](C)C)c1[N+](=O)[O-] ZINC000189787506 408107734 /nfs/dbraw/zinc/10/77/34/408107734.db2.gz LSDAISKRIDSGOP-UHFFFAOYSA-N 1 0 301.368 1.052 20 5 DDBDRO CNC(=O)CN1CCC([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000121799045 408242800 /nfs/dbraw/zinc/24/28/00/408242800.db2.gz CFKFHJLIAYWGJB-LBPRGKRZSA-N 1 0 320.393 1.456 20 5 DDBDRO Cc1c(C(=O)N[C@H]2CCC[C@H]2C[NH3+])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000157892383 408318354 /nfs/dbraw/zinc/31/83/54/408318354.db2.gz XWJWFNAGJLWFIU-CABZTGNLSA-N 1 0 322.321 1.669 20 5 DDBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Cn2cc([N+](=O)[O-])nc2C)[C@H](C)C1 ZINC000122321937 408283492 /nfs/dbraw/zinc/28/34/92/408283492.db2.gz QUFUXUDOBALSOL-DGCLKSJQSA-N 1 0 323.397 1.288 20 5 DDBDRO COc1ccc(OCC[N@@H+]2C[C@@H](C)[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC000190892592 408338970 /nfs/dbraw/zinc/33/89/70/408338970.db2.gz LFXAKBUVMMJIAF-NEPJUHHUSA-N 1 0 310.350 1.542 20 5 DDBDRO O=C(COc1cccc([N+](=O)[O-])c1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000171441911 162218137 /nfs/dbraw/zinc/21/81/37/162218137.db2.gz QQRWRKHDFDPVQT-CQSZACIVSA-N 1 0 319.361 1.670 20 5 DDBDRO O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171584550 162226253 /nfs/dbraw/zinc/22/62/53/162226253.db2.gz TYDHVVOLCGIPTR-LQYUOIDQSA-N 1 0 301.346 1.915 20 5 DDBDRO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@@H](OCCO)C1 ZINC000172300064 162269019 /nfs/dbraw/zinc/26/90/19/162269019.db2.gz NBQZMTASQYSEOB-CYBMUJFWSA-N 1 0 310.350 1.447 20 5 DDBDRO COc1ccc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-] ZINC000160149457 408460861 /nfs/dbraw/zinc/46/08/61/408460861.db2.gz OXLSDLJTNSPZGL-TXEJJXNPSA-N 1 0 305.334 1.570 20 5 DDBDRO COC[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000183438720 408412979 /nfs/dbraw/zinc/41/29/79/408412979.db2.gz LOPJVGQNFSHRLV-CQSZACIVSA-N 1 0 307.350 1.938 20 5 DDBDRO C[C@@H](CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[NH+](C)C ZINC000270201213 408483294 /nfs/dbraw/zinc/48/32/94/408483294.db2.gz CEZUKGLXFANBBT-JTQLQIEISA-N 1 0 304.350 1.685 20 5 DDBDRO Cc1c(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000160673630 408509360 /nfs/dbraw/zinc/50/93/60/408509360.db2.gz CBEBNCOOSXWGAY-CYBMUJFWSA-N 1 0 321.377 1.480 20 5 DDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H]([C@H](C)O)C1 ZINC000248586224 408592754 /nfs/dbraw/zinc/59/27/54/408592754.db2.gz QYLOCRBARMMPDC-GRYCIOLGSA-N 1 0 307.350 1.625 20 5 DDBDRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)CCNc3ccccc3[N+](=O)[O-])C[C@H]12 ZINC000248605975 408594437 /nfs/dbraw/zinc/59/44/37/408594437.db2.gz JYABGXHQPBDKPN-FRRDWIJNSA-N 1 0 318.377 1.593 20 5 DDBDRO C[N@H+]1C[C@H]2CN(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)C[C@H]2C1 ZINC000192527381 408603720 /nfs/dbraw/zinc/60/37/20/408603720.db2.gz CCFOEANGMPNPMV-XXIWEDNYSA-N 1 0 301.346 1.628 20 5 DDBDRO O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000265497729 408673049 /nfs/dbraw/zinc/67/30/49/408673049.db2.gz HJYPRGLKULOYFO-NSHDSACASA-N 1 0 322.365 1.154 20 5 DDBDRO CCCc1n[nH]c(C(=O)N(C)C2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000265611378 408711148 /nfs/dbraw/zinc/71/11/48/408711148.db2.gz HEEVMHHYRUXMMQ-UHFFFAOYSA-N 1 0 309.370 1.437 20 5 DDBDRO C[C@@H]1[C@H](C)[S@@](=O)CCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000265658482 408734492 /nfs/dbraw/zinc/73/44/92/408734492.db2.gz WTMFKTKUHAYWBB-IDFMNXDXSA-N 1 0 312.391 1.815 20 5 DDBDRO CC(C)[C@@H](CCO)[NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000162196449 408679122 /nfs/dbraw/zinc/67/91/22/408679122.db2.gz MUZBIMLARIIAQE-CABCVRRESA-N 1 0 321.377 1.697 20 5 DDBDRO C[C@H](O)C[N@@H+]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000251842402 408787302 /nfs/dbraw/zinc/78/73/02/408787302.db2.gz OCWBEPSFWGQKRI-OLZOCXBDSA-N 1 0 321.377 1.051 20 5 DDBDRO CCN(C)C(=O)CC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000178282536 408799362 /nfs/dbraw/zinc/79/93/62/408799362.db2.gz NWUSJONYZYRHJY-UHFFFAOYSA-N 1 0 320.393 1.585 20 5 DDBDRO C[NH+](C)C1CN(c2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000270936210 408750694 /nfs/dbraw/zinc/75/06/94/408750694.db2.gz ZDXICNVGLPKZKY-UHFFFAOYSA-N 1 0 301.144 1.503 20 5 DDBDRO O=C(CC[N@H+]1CCC[C@@H](O)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000185167431 408773013 /nfs/dbraw/zinc/77/30/13/408773013.db2.gz IBMMZVQTLRBKMH-LLVKDONJSA-N 1 0 311.313 1.519 20 5 DDBDRO C[C@H]1CN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCC1=O ZINC000276528126 408876326 /nfs/dbraw/zinc/87/63/26/408876326.db2.gz HGKZHIPOOFGODP-NWDGAFQWSA-N 1 0 308.334 1.245 20 5 DDBDRO Cc1cc(N2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)n[nH]1 ZINC000187222338 163009884 /nfs/dbraw/zinc/00/98/84/163009884.db2.gz ATUTZFHMDZJNFQ-UHFFFAOYSA-N 1 0 315.377 1.991 20 5 DDBDRO Cc1c(CC(=O)N2CC[NH+]3CCC2CC3)cccc1[N+](=O)[O-] ZINC000188627918 163060203 /nfs/dbraw/zinc/06/02/03/163060203.db2.gz OUUOFAIFTXBPPG-UHFFFAOYSA-N 1 0 303.362 1.752 20 5 DDBDRO C[C@H]1[NH2+]CCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)[C@H]1C ZINC000277477102 408949003 /nfs/dbraw/zinc/94/90/03/408949003.db2.gz LKPPIFFVINVBSQ-ZJUUUORDSA-N 1 0 311.313 1.322 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@H]([NH+]3CC=CC3)C2)n1 ZINC000286648005 408992549 /nfs/dbraw/zinc/99/25/49/408992549.db2.gz CDMLWJOGTBUVOX-NSHDSACASA-N 1 0 318.333 1.227 20 5 DDBDRO C[C@H]1CN(c2ccc(N)cc2[N+](=O)[O-])CC[N@@H+]1CC(C)(C)O ZINC000286754038 408998607 /nfs/dbraw/zinc/99/86/07/408998607.db2.gz RWGJHBQEBSEEEN-NSHDSACASA-N 1 0 308.382 1.458 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC1([S@@](C)=O)CC1 ZINC000282338662 409036867 /nfs/dbraw/zinc/03/68/67/409036867.db2.gz LYTIPSVSKSQEIA-OAQYLSRUSA-N 1 0 312.391 1.994 20 5 DDBDRO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3C[C@@H](O)[C@@H](O)C3)o2)c1 ZINC000278418053 409083396 /nfs/dbraw/zinc/08/33/96/409083396.db2.gz RCPJGRSNNHCQJV-OKILXGFUSA-N 1 0 304.302 1.392 20 5 DDBDRO CS(=O)(=O)CCC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000278868921 409104053 /nfs/dbraw/zinc/10/40/53/409104053.db2.gz WUUGPUWHKWABKI-AWEZNQCLSA-N 1 0 312.391 1.997 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@H](C)C[NH+](C)C)c1 ZINC000293764624 409176237 /nfs/dbraw/zinc/17/62/37/409176237.db2.gz NCYQWKKUXIBSSY-ZDUSSCGKSA-N 1 0 323.393 1.986 20 5 DDBDRO C[N@H+](CCCO)C1CCN(c2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000283793800 409217563 /nfs/dbraw/zinc/21/75/63/409217563.db2.gz SMWFFSVODWMVLE-UHFFFAOYSA-N 1 0 308.382 1.460 20 5 DDBDRO C[C@@H](CC(N)=O)[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000279527696 409231769 /nfs/dbraw/zinc/23/17/69/409231769.db2.gz OXORXXRZGMHHNP-ZETCQYMHSA-N 1 0 305.256 1.967 20 5 DDBDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3ccc(N)c([N+](=O)[O-])c3)C2)C1 ZINC000294313464 409277161 /nfs/dbraw/zinc/27/71/61/409277161.db2.gz WMVLZHSAUVWTJY-MRXNPFEDSA-N 1 0 318.377 1.735 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H](CO)[C@H]1CCOC1 ZINC000280289000 409285621 /nfs/dbraw/zinc/28/56/21/409285621.db2.gz MLYKVLYAPJTEON-GXTWGEPZSA-N 1 0 324.377 1.728 20 5 DDBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CCCNC1=O ZINC000295084878 409316228 /nfs/dbraw/zinc/31/62/28/409316228.db2.gz QTQGOUDWYKMSQY-MFKMUULPSA-N 1 0 320.349 1.180 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)c1 ZINC000284896888 409367566 /nfs/dbraw/zinc/36/75/66/409367566.db2.gz HHRAINCVHLNRLZ-HUUCEWRRSA-N 1 0 307.350 1.513 20 5 DDBDRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000262878596 163888591 /nfs/dbraw/zinc/88/85/91/163888591.db2.gz VRYIFOJOOFWTRW-LDYMZIIASA-N 1 0 303.322 1.199 20 5 DDBDRO CC1(C)C[C@@H](O)CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000295984133 409391808 /nfs/dbraw/zinc/39/18/08/409391808.db2.gz JLBZUDSBJLHPDT-ZDUSSCGKSA-N 1 0 309.366 1.239 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N(C)CC[NH+]2CCCC2)n1 ZINC000318288042 164030957 /nfs/dbraw/zinc/03/09/57/164030957.db2.gz LPYGTWPOZOXNIC-UHFFFAOYSA-N 1 0 308.338 1.308 20 5 DDBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])nn2C)C1 ZINC000356739011 409563582 /nfs/dbraw/zinc/56/35/82/409563582.db2.gz NOWIZDLTRVWKGT-LLVKDONJSA-N 1 0 309.370 1.036 20 5 DDBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](C[C@H]3CCCOC3)C2)nc1 ZINC000331461060 409532992 /nfs/dbraw/zinc/53/29/92/409532992.db2.gz JJJPGOIZHQZKRY-CHWSQXEVSA-N 1 0 306.366 1.903 20 5 DDBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[NH+]1CCC(O)CC1 ZINC000304236737 409579943 /nfs/dbraw/zinc/57/99/43/409579943.db2.gz QDSSFGZXKDHZEQ-UHFFFAOYSA-N 1 0 321.333 1.350 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)n1 ZINC000331520385 409595960 /nfs/dbraw/zinc/59/59/60/409595960.db2.gz FTFHCPNPHRYGIW-NEPJUHHUSA-N 1 0 321.381 1.510 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CCC(n3cncn3)CC2)c1 ZINC000305166959 409710745 /nfs/dbraw/zinc/71/07/45/409710745.db2.gz IAKPPQLGSHUSSV-HNNXBMFYSA-N 1 0 317.349 1.557 20 5 DDBDRO CC[N@@H+]1C[C@@H](C)N(c2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H]1C ZINC000345170668 409655868 /nfs/dbraw/zinc/65/58/68/409655868.db2.gz IVKJNMOZGWWJKW-GHMZBOCLSA-N 1 0 306.366 1.613 20 5 DDBDRO C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C[C@@H](C)C1 ZINC000346224439 409863631 /nfs/dbraw/zinc/86/36/31/409863631.db2.gz NUHFUYOGNIDLPV-GMXVVIOVSA-N 1 0 306.366 1.725 20 5 DDBDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000318799938 409883407 /nfs/dbraw/zinc/88/34/07/409883407.db2.gz ATAHWFLTWDIJBO-SNVBAGLBSA-N 1 0 307.354 1.032 20 5 DDBDRO O=C(/C=C\c1cccc([N+](=O)[O-])c1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000319007956 409885558 /nfs/dbraw/zinc/88/55/58/409885558.db2.gz MLTHREAIAVQDOP-AWFCHZOYSA-N 1 0 301.346 1.820 20 5 DDBDRO C[C@H](C[NH+](C)C)NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000346260951 409887574 /nfs/dbraw/zinc/88/75/74/409887574.db2.gz LHBFKWRGBRTFSP-MRVPVSSYSA-N 1 0 317.292 1.876 20 5 DDBDRO [NH3+]CC1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000297280196 409889416 /nfs/dbraw/zinc/88/94/16/409889416.db2.gz UAFGVWOJQYBBIV-UHFFFAOYSA-N 1 0 302.334 1.887 20 5 DDBDRO C[C@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)[C@@H]1CCOC1 ZINC000332169453 409943862 /nfs/dbraw/zinc/94/38/62/409943862.db2.gz VRDCMETYJMCMBY-YWPYICTPSA-N 1 0 319.361 1.715 20 5 DDBDRO C[C@@H]1C[N@H+](C)CCN1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000332311528 410060971 /nfs/dbraw/zinc/06/09/71/410060971.db2.gz MWRJETUMFGDJFB-GFCCVEGCSA-N 1 0 318.377 1.120 20 5 DDBDRO Cc1cc(NC(=O)C(=O)N2CCC[N@@H+](C)CC2)ccc1[N+](=O)[O-] ZINC000298389134 410207608 /nfs/dbraw/zinc/20/76/08/410207608.db2.gz GVZTYAFIRZPLTK-UHFFFAOYSA-N 1 0 320.349 1.006 20 5 DDBDRO CCC[C@H](C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1)[NH+](C)C ZINC000332741561 410249460 /nfs/dbraw/zinc/24/94/60/410249460.db2.gz ZMPSBEOUCMCUJD-CQSZACIVSA-N 1 0 306.366 1.605 20 5 DDBDRO CC[NH+](CC)CCNC(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000193951674 306727786 /nfs/dbraw/zinc/72/77/86/306727786.db2.gz UIDSCOPNVNJGHJ-UHFFFAOYSA-N 1 0 324.381 1.744 20 5 DDBDRO CN(C(=O)COc1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000347011819 410312558 /nfs/dbraw/zinc/31/25/58/410312558.db2.gz MNMPLZRQMTYPPW-AWEZNQCLSA-N 1 0 319.361 1.669 20 5 DDBDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000351963926 410375536 /nfs/dbraw/zinc/37/55/36/410375536.db2.gz IIOHUWIVMVKKQP-LLVKDONJSA-N 1 0 309.370 1.702 20 5 DDBDRO COc1cc(C[NH+]2CCC(CC(N)=O)CC2)ccc1[N+](=O)[O-] ZINC000351970544 410383842 /nfs/dbraw/zinc/38/38/42/410383842.db2.gz DYQWNSJLXHHRDB-UHFFFAOYSA-N 1 0 307.350 1.691 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1CCC[N@H+](C)[C@H]1C ZINC000343444149 410459236 /nfs/dbraw/zinc/45/92/36/410459236.db2.gz BACASZCRRBFRGP-JQWIXIFHSA-N 1 0 309.370 1.089 20 5 DDBDRO CC[NH+](CC)C[C@H](C)NC(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000347285696 410442921 /nfs/dbraw/zinc/44/29/21/410442921.db2.gz SQDBNTUCFATPJF-NSHDSACASA-N 1 0 311.386 1.336 20 5 DDBDRO COCC[N@@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000299212004 410571591 /nfs/dbraw/zinc/57/15/91/410571591.db2.gz HDSIMKBMLZIZAC-UHFFFAOYSA-N 1 0 321.377 1.698 20 5 DDBDRO COCC[N@@H+]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000299230249 410573718 /nfs/dbraw/zinc/57/37/18/410573718.db2.gz RMVAAMYYUVEZRM-UHFFFAOYSA-N 1 0 321.377 1.318 20 5 DDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359297659 410587005 /nfs/dbraw/zinc/58/70/05/410587005.db2.gz DYPISXUQMGDSJI-UTUOFQBUSA-N 1 0 304.350 1.073 20 5 DDBDRO COc1cc([C@H](C)[NH2+]CCn2cc([N+](=O)[O-])ccc2=O)ccn1 ZINC000347539138 410603997 /nfs/dbraw/zinc/60/39/97/410603997.db2.gz LVKPVYFWUXTXKL-NSHDSACASA-N 1 0 318.333 1.511 20 5 DDBDRO CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)C[C@@H](C)O ZINC000352202811 410544573 /nfs/dbraw/zinc/54/45/73/410544573.db2.gz MNIPCFRGUJJXTF-GFCCVEGCSA-N 1 0 309.366 1.935 20 5 DDBDRO CC[N@H+](CCO)CCNC(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000359530177 410713670 /nfs/dbraw/zinc/71/36/70/410713670.db2.gz GVEPBBYVFSZIOI-UHFFFAOYSA-N 1 0 324.381 1.017 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@H]2Cc2ccccc2)c1 ZINC000353040144 410752349 /nfs/dbraw/zinc/75/23/49/410752349.db2.gz NIBAZDMKTGMDLQ-GOEBONIOSA-N 1 0 316.361 1.469 20 5 DDBDRO COC(=O)c1cnc(N2CCC[N@@H+](C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000302667678 410848264 /nfs/dbraw/zinc/84/82/64/410848264.db2.gz CNNIHVNALOSOBH-UHFFFAOYSA-N 1 0 320.349 1.451 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1C[C@H](C)[C@H]([NH+](C)C)C1 ZINC000330664976 410859428 /nfs/dbraw/zinc/85/94/28/410859428.db2.gz ZHFHMBCZKATCPA-GXTWGEPZSA-N 1 0 320.393 1.724 20 5 DDBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000359768756 410862843 /nfs/dbraw/zinc/86/28/43/410862843.db2.gz WJFOXAWOJGCWFT-JTQLQIEISA-N 1 0 310.354 1.546 20 5 DDBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)NCC[NH+]1CCC1 ZINC000337568180 410868985 /nfs/dbraw/zinc/86/89/85/410868985.db2.gz BYLAFRILZWIUEN-UHFFFAOYSA-N 1 0 306.366 1.609 20 5 DDBDRO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C1CCN(CCO)CC1 ZINC000353360737 410942349 /nfs/dbraw/zinc/94/23/49/410942349.db2.gz LIMSSPBDMGUYGM-XQRVVYSFSA-N 1 0 319.405 1.997 20 5 DDBDRO COc1c(C(=O)N2CCO[C@@H](C[NH+](C)C)C2)cccc1[N+](=O)[O-] ZINC000331052312 410918851 /nfs/dbraw/zinc/91/88/51/410918851.db2.gz IXTMOMRSPCERPN-NSHDSACASA-N 1 0 323.349 1.006 20 5 DDBDRO COc1cc(C[NH2+][C@@H](CO)C2CCOCC2)ccc1[N+](=O)[O-] ZINC000359863863 410921422 /nfs/dbraw/zinc/92/14/22/410921422.db2.gz XTIKYQSYDVIWBU-ZDUSSCGKSA-N 1 0 310.350 1.481 20 5 DDBDRO COCC[N@H+](C)CCCNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344184701 411013125 /nfs/dbraw/zinc/01/31/25/411013125.db2.gz RUDRAHNNXKSDHZ-UHFFFAOYSA-N 1 0 313.329 1.432 20 5 DDBDRO COc1cc(C[N@H+](C)[C@@H]2CCC[C@@H]2O)c([N+](=O)[O-])cc1OC ZINC000348556871 411015657 /nfs/dbraw/zinc/01/56/57/411015657.db2.gz QCPRJOWQPBLULT-YPMHNXCESA-N 1 0 310.350 1.957 20 5 DDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@H](CO)C2CC2)n1 ZINC000353484097 411019419 /nfs/dbraw/zinc/01/94/19/411019419.db2.gz PXBXHKFYIJNMPN-MGPQQGTHSA-N 1 0 308.382 1.883 20 5 DDBDRO C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000331426531 411084744 /nfs/dbraw/zinc/08/47/44/411084744.db2.gz XZWAFRJLCNNKKW-DGCLKSJQSA-N 1 0 319.365 1.097 20 5 DDBDRO C[NH2+][C@H]1CCCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000133062044 196308511 /nfs/dbraw/zinc/30/85/11/196308511.db2.gz UPSNLDSKPOZUIW-VIFPVBQESA-N 1 0 303.322 1.295 20 5 DDBDRO CN(CC(C)(C)C[NH3+])c1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000138080057 196582169 /nfs/dbraw/zinc/58/21/69/196582169.db2.gz VXVVMPONSMIWLZ-UHFFFAOYSA-N 1 0 315.395 1.419 20 5 DDBDRO CCNC(=O)[C@@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC001120559450 782023258 /nfs/dbraw/zinc/02/32/58/782023258.db2.gz SWKFTKXXAPDDQN-KBPBESRZSA-N 1 0 309.366 1.379 20 5 DDBDRO C[C@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H](C)CN1CCO ZINC000416731807 225044484 /nfs/dbraw/zinc/04/44/84/225044484.db2.gz ORGDMNPVXXSNTO-RYUDHWBXSA-N 1 0 322.365 1.514 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000417175934 225232789 /nfs/dbraw/zinc/23/27/89/225232789.db2.gz JQOJLNXMKURJBD-JQWIXIFHSA-N 1 0 322.365 1.530 20 5 DDBDRO C[C@@]1(CNC(=O)NCCc2cccc([N+](=O)[O-])c2)CCC[NH2+]C1 ZINC000417945238 225517376 /nfs/dbraw/zinc/51/73/76/225517376.db2.gz QOEFHZHEQVJRIC-MRXNPFEDSA-N 1 0 320.393 1.826 20 5 DDBDRO C[C@@H]1CN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H](C)C[N@@H+]1CCO ZINC000419000361 226002030 /nfs/dbraw/zinc/00/20/30/226002030.db2.gz OGAHVCDWMXBZHS-MNOVXSKESA-N 1 0 319.365 1.362 20 5 DDBDRO C[C@H](CO)[N@@H+]1CCCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000373743605 418456363 /nfs/dbraw/zinc/45/63/63/418456363.db2.gz WYHCJROEHUIDRC-CQSZACIVSA-N 1 0 323.393 1.362 20 5 DDBDRO Cc1c([C@H](C)[NH2+]CC(=O)NCC(F)F)cccc1[N+](=O)[O-] ZINC000280447725 418569852 /nfs/dbraw/zinc/56/98/52/418569852.db2.gz DECMBOPULHRCJX-VIFPVBQESA-N 1 0 301.293 1.935 20 5 DDBDRO COC(=O)[C@H]1CN(CCOc2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000374580986 418543364 /nfs/dbraw/zinc/54/33/64/418543364.db2.gz WVJTXBPCPISRFN-BXUZGUMPSA-N 1 0 324.333 1.236 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H](C)C[NH+]2CCCC2)n1 ZINC000191778254 222108732 /nfs/dbraw/zinc/10/87/32/222108732.db2.gz GRBMDOOIHHRUMO-NSHDSACASA-N 1 0 309.370 1.273 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)n1 ZINC000191840307 222110529 /nfs/dbraw/zinc/11/05/29/222110529.db2.gz YTMOVQFBUWUNFR-NXEZZACHSA-N 1 0 307.354 1.166 20 5 DDBDRO COc1cccc(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000195442319 222202524 /nfs/dbraw/zinc/20/25/24/222202524.db2.gz PDISVDSMHZSCCF-NSHDSACASA-N 1 0 319.361 1.818 20 5 DDBDRO CC[C@H](C)[NH2+][C@H](CNc1ncc([N+](=O)[O-])c(N)n1)c1ccco1 ZINC000343265598 418631341 /nfs/dbraw/zinc/63/13/41/418631341.db2.gz OTDNGIWXMVPTBA-VHSXEESVSA-N 1 0 320.353 1.523 20 5 DDBDRO CC(C)[NH+](CCCNc1ccc2ncc([N+](=O)[O-])n2n1)C(C)C ZINC000347882435 418639322 /nfs/dbraw/zinc/63/93/22/418639322.db2.gz UKDDFKUTYKAAOR-UHFFFAOYSA-N 1 0 320.397 2.558 20 5 DDBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N1CCC[N@@H+]([C@@H](C)CO)CC1 ZINC000367927432 418658488 /nfs/dbraw/zinc/65/84/88/418658488.db2.gz OHCFVTAFYIXWAF-LBPRGKRZSA-N 1 0 321.377 1.690 20 5 DDBDRO CCn1cc(CC[N@@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)cn1 ZINC000375726088 418677702 /nfs/dbraw/zinc/67/77/02/418677702.db2.gz GMYGQDAHZAFVSA-CQSZACIVSA-N 1 0 318.381 1.887 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000361630095 418693541 /nfs/dbraw/zinc/69/35/41/418693541.db2.gz SILWVMMRZGCPMN-NWDGAFQWSA-N 1 0 319.361 1.960 20 5 DDBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3c(N)cccc3[N+](=O)[O-])C[C@H]21 ZINC000371559689 418800839 /nfs/dbraw/zinc/80/08/39/418800839.db2.gz AHDIACKQTAIOBH-GXFFZTMASA-N 1 0 304.350 1.343 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCCC[C@@H](CO)C1 ZINC000371688063 418809559 /nfs/dbraw/zinc/80/95/59/418809559.db2.gz CLWUJUQLBRZLQK-ZIAGYGMSSA-N 1 0 324.377 1.429 20 5 DDBDRO Cc1cc(NC(=O)C(=O)N[C@H](C)CC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000411199465 418879389 /nfs/dbraw/zinc/87/93/89/418879389.db2.gz ZQTATNQRBFAAFT-LLVKDONJSA-N 1 0 322.365 1.298 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@@](CO)(c3ccccc3)C2)c1 ZINC000365848497 418916159 /nfs/dbraw/zinc/91/61/59/418916159.db2.gz QFUIPEZKRCNXNL-MRXNPFEDSA-N 1 0 316.361 1.427 20 5 DDBDRO Cn1cc([C@@H]2CN(Cc3ccc([N+](=O)[O-])cc3)C[C@H]2[NH3+])cn1 ZINC000424301126 228256343 /nfs/dbraw/zinc/25/63/43/228256343.db2.gz XCHANRMWXROFRA-LSDHHAIUSA-N 1 0 301.350 1.255 20 5 DDBDRO CC[N@@H+]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000411724177 419390971 /nfs/dbraw/zinc/39/09/71/419390971.db2.gz YMFTWGOZDKSRLO-CYBMUJFWSA-N 1 0 320.393 1.949 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](C(=O)N(C)C)C1 ZINC000411958391 419525762 /nfs/dbraw/zinc/52/57/62/419525762.db2.gz UUHFWBAOEZGHAZ-LBPRGKRZSA-N 1 0 307.350 1.514 20 5 DDBDRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000418109208 419539029 /nfs/dbraw/zinc/53/90/29/419539029.db2.gz HXOVKGSHVRNCKP-IORUMNFESA-N 1 0 319.405 1.995 20 5 DDBDRO Cc1ccc(CN2C[C@H](C)[N@@H+](CCO)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000418112744 419543520 /nfs/dbraw/zinc/54/35/20/419543520.db2.gz LNOXLYBBJPMREP-KBPBESRZSA-N 1 0 307.394 1.790 20 5 DDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)s1 ZINC000427946453 228685043 /nfs/dbraw/zinc/68/50/43/228685043.db2.gz ORMWJILBIJDMIP-IUCAKERBSA-N 1 0 317.392 1.029 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000421710479 419699229 /nfs/dbraw/zinc/69/92/29/419699229.db2.gz KVPSHHAESKRTLK-GFCCVEGCSA-N 1 0 307.350 1.770 20 5 DDBDRO CC(C)(NC(=O)NC[C@@H]([NH3+])C1CC1)c1ccccc1[N+](=O)[O-] ZINC000418484219 419829378 /nfs/dbraw/zinc/82/93/78/419829378.db2.gz FZHRXBHJSROXSD-GFCCVEGCSA-N 1 0 306.366 1.866 20 5 DDBDRO COCC[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@H]1CCCSC1 ZINC000433189204 229169259 /nfs/dbraw/zinc/16/92/59/229169259.db2.gz DJOVJRQYTUDSDG-LBPRGKRZSA-N 1 0 314.411 1.635 20 5 DDBDRO CCC[NH2+]CCN[C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000423311747 420009036 /nfs/dbraw/zinc/00/90/36/420009036.db2.gz QHPFODYVPRIKSC-LBPRGKRZSA-N 1 0 308.382 1.901 20 5 DDBDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000429766492 420046065 /nfs/dbraw/zinc/04/60/65/420046065.db2.gz YRPGZOUFRDRJCX-KGLIPLIRSA-N 1 0 307.350 1.478 20 5 DDBDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000429783431 420047335 /nfs/dbraw/zinc/04/73/35/420047335.db2.gz HRPNUGUWALCABE-CHWSQXEVSA-N 1 0 307.350 1.608 20 5 DDBDRO COc1cc(C(=O)N2C[C@@H](C[NH3+])C[C@H]2C)cc([N+](=O)[O-])c1C ZINC000423462094 420055419 /nfs/dbraw/zinc/05/54/19/420055419.db2.gz KHJRFSCKWPKUSE-MWLCHTKSSA-N 1 0 307.350 1.721 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1CN(CCO)[C@H]1CCO[C@H]1C ZINC000430248474 420096308 /nfs/dbraw/zinc/09/63/08/420096308.db2.gz ZQKRBBPZMZWIOY-FZMZJTMJSA-N 1 0 310.350 1.575 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000420327067 420210850 /nfs/dbraw/zinc/21/08/50/420210850.db2.gz CSUSWFGFHOFQAM-SMDDNHRTSA-N 1 0 320.393 1.901 20 5 DDBDRO C[NH2+]C[C@H]1CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000430931742 420212496 /nfs/dbraw/zinc/21/24/96/420212496.db2.gz CLHNVCGXYIEFHO-GFCCVEGCSA-N 1 0 318.377 1.025 20 5 DDBDRO C[NH2+][C@@H]1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000430618101 420160181 /nfs/dbraw/zinc/16/01/81/420160181.db2.gz RCLIBXVFPBMRIE-GFCCVEGCSA-N 1 0 306.366 1.526 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC(C[NH3+])CC1 ZINC000430616713 420160222 /nfs/dbraw/zinc/16/02/22/420160222.db2.gz HCVZJNVRFFJLOZ-UHFFFAOYSA-N 1 0 306.366 1.512 20 5 DDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000415758729 420168261 /nfs/dbraw/zinc/16/82/61/420168261.db2.gz HWMOIIHEJAXBJS-CYBMUJFWSA-N 1 0 322.365 1.739 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000420270532 420175171 /nfs/dbraw/zinc/17/51/71/420175171.db2.gz ZEXKRFWJCDAWRQ-NWDGAFQWSA-N 1 0 319.361 1.736 20 5 DDBDRO CC1(C)CCC[NH2+][C@@H]1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000430694420 420179318 /nfs/dbraw/zinc/17/93/18/420179318.db2.gz DNTLKOPMEFTWLH-GFCCVEGCSA-N 1 0 324.356 1.824 20 5 DDBDRO C[C@H]1CCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@H](C[NH3+])C1 ZINC000420345043 420225675 /nfs/dbraw/zinc/22/56/75/420225675.db2.gz UXULVNDICOOUHX-WFASDCNBSA-N 1 0 320.393 1.617 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@H]1CC[NH2+]CC1(C)C ZINC000420359170 420234442 /nfs/dbraw/zinc/23/44/42/420234442.db2.gz GCYQJHFHGYJVFI-ZDUSSCGKSA-N 1 0 320.393 1.819 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420370826 420243158 /nfs/dbraw/zinc/24/31/58/420243158.db2.gz CXARTFMMCYLMSP-DGCLKSJQSA-N 1 0 320.393 1.758 20 5 DDBDRO O=C(N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])[nH]1 ZINC000423973855 420288601 /nfs/dbraw/zinc/28/86/01/420288601.db2.gz NARGTRYGPLWESP-WCQYABFASA-N 1 0 300.318 1.408 20 5 DDBDRO O=C(C[C@H]1COCC[NH2+]1)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000423841255 420220296 /nfs/dbraw/zinc/22/02/96/420220296.db2.gz JMXNIHJMJGKEAW-JTQLQIEISA-N 1 0 313.741 1.243 20 5 DDBDRO COc1cc(C(=O)NCC2([NH+](C)C)CC2)cc([N+](=O)[O-])c1C ZINC000416309803 420322995 /nfs/dbraw/zinc/32/29/95/420322995.db2.gz XMYZFYXXPZPUCO-UHFFFAOYSA-N 1 0 307.350 1.736 20 5 DDBDRO Cc1ccc(S(=O)(=O)N[C@@H]2CCCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000420454058 420298508 /nfs/dbraw/zinc/29/85/08/420298508.db2.gz VNFBMZMVNFZVBR-LLVKDONJSA-N 1 0 313.379 1.324 20 5 DDBDRO CN(C1CC([NH3+])C1)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000420464140 420303535 /nfs/dbraw/zinc/30/35/35/420303535.db2.gz JQLBWDZBFWKZNT-UHFFFAOYSA-N 1 0 319.770 1.358 20 5 DDBDRO C[NH2+][C@H]1CCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000417716720 420459416 /nfs/dbraw/zinc/45/94/16/420459416.db2.gz LWVXJRCEFYUKMI-AWEZNQCLSA-N 1 0 320.393 1.921 20 5 DDBDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000417765914 420472718 /nfs/dbraw/zinc/47/27/18/420472718.db2.gz OSXISQVDUIRSMO-DGCLKSJQSA-N 1 0 306.366 1.516 20 5 DDBDRO C[N@@H+]1CCC[C@H](CCNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000458159282 420642840 /nfs/dbraw/zinc/64/28/40/420642840.db2.gz DYMGIJVYVKDUTJ-GFCCVEGCSA-N 1 0 323.397 1.375 20 5 DDBDRO CO[C@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000441241943 420643061 /nfs/dbraw/zinc/64/30/61/420643061.db2.gz DTWXXFHNZAQYET-KBMXLJTQSA-N 1 0 324.377 1.882 20 5 DDBDRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000493167402 420776275 /nfs/dbraw/zinc/77/62/75/420776275.db2.gz PDOQFGMONHVVNP-KMOZTTGJSA-N 1 0 307.325 1.861 20 5 DDBDRO COc1cc(C(=O)NCC[NH+]2CCCC2)c([N+](=O)[O-])cc1F ZINC000448602276 420870232 /nfs/dbraw/zinc/87/02/32/420870232.db2.gz AEFRPOXHDIGXGQ-UHFFFAOYSA-N 1 0 311.313 1.568 20 5 DDBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000470182976 420931976 /nfs/dbraw/zinc/93/19/76/420931976.db2.gz LHFYVTZGTRSOBY-JAMFPYSNSA-N 1 0 319.361 1.573 20 5 DDBDRO CCc1n[nH]c(C(=O)NC(C)(C)CCC[NH+](C)C)c1[N+](=O)[O-] ZINC000456161532 421110204 /nfs/dbraw/zinc/11/02/04/421110204.db2.gz DGJODNVTVZBAPS-UHFFFAOYSA-N 1 0 311.386 1.731 20 5 DDBDRO CC[C@@H]([NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)C(=O)NC ZINC000449770619 421079736 /nfs/dbraw/zinc/07/97/36/421079736.db2.gz GAMOIEILECLMBB-GXFFZTMASA-N 1 0 322.365 1.426 20 5 DDBDRO COCC[N@@H+]1CCC[C@H]1CN=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1 ZINC000450305627 421179475 /nfs/dbraw/zinc/17/94/75/421179475.db2.gz AXQOTBOCMYUPKD-LBPRGKRZSA-N 1 0 319.365 1.416 20 5 DDBDRO O=[N+]([O-])c1cccc2c1ccnc2NC[C@@H]1CN2CCN1CC2 ZINC000450391831 421191961 /nfs/dbraw/zinc/19/19/61/421191961.db2.gz NNLXNROHKPFATH-GFCCVEGCSA-N 1 0 313.361 1.555 20 5 DDBDRO O=[N+]([O-])c1ccc2[nH]c(=NC[C@@H]3CCCC[N@H+]3CCO)[nH]c2c1 ZINC000450613305 421217205 /nfs/dbraw/zinc/21/72/05/421217205.db2.gz LQJFJAAUGADEBW-LBPRGKRZSA-N 1 0 319.365 1.152 20 5 DDBDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000561083115 421305368 /nfs/dbraw/zinc/30/53/68/421305368.db2.gz NFRBHOGIKMBLPC-NSHDSACASA-N 1 0 321.381 1.566 20 5 DDBDRO C[C@H](CNC(=O)c1ccnc(N)c1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC000548058500 421394957 /nfs/dbraw/zinc/39/49/57/421394957.db2.gz RIADYHQBPWQEQU-GHMZBOCLSA-N 1 0 321.381 1.422 20 5 DDBDRO Cn1cncc1CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000548133156 421403902 /nfs/dbraw/zinc/40/39/02/421403902.db2.gz ZWFSACSAMKHCFP-UHFFFAOYSA-N 1 0 318.289 1.030 20 5 DDBDRO Nc1nccc(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)c1[N+](=O)[O-] ZINC000514610810 421440266 /nfs/dbraw/zinc/44/02/66/421440266.db2.gz ACZKGXLGTSFFTK-SNVBAGLBSA-N 1 0 319.365 1.319 20 5 DDBDRO CC[C@@H]1C[N@H+](C)CCN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000563989954 421564046 /nfs/dbraw/zinc/56/40/46/421564046.db2.gz OCBVGJBYIOMJFL-GFCCVEGCSA-N 1 0 306.366 1.559 20 5 DDBDRO O=C(C[NH2+]CC1CC1)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000567349389 421611202 /nfs/dbraw/zinc/61/12/02/421611202.db2.gz LBNIINPDPMZAOK-UHFFFAOYSA-N 1 0 315.333 1.923 20 5 DDBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])cn2)C[C@H]1C ZINC000531634752 421641179 /nfs/dbraw/zinc/64/11/79/421641179.db2.gz JOTPWECCMASVLG-VXGBXAGGSA-N 1 0 306.366 1.935 20 5 DDBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@H](N3CCOCC3)C2)cc1 ZINC000571223224 421698699 /nfs/dbraw/zinc/69/86/99/421698699.db2.gz TUJULPIJANMGBL-KRWDZBQOSA-N 1 0 319.405 1.934 20 5 DDBDRO C[NH+](C)C1(CNC(=O)c2ccnc(N)c2[N+](=O)[O-])CCCC1 ZINC000538315741 421738827 /nfs/dbraw/zinc/73/88/27/421738827.db2.gz OIAYGHCCKPBTPG-UHFFFAOYSA-N 1 0 307.354 1.176 20 5 DDBDRO C[N@H+](CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)C1CC1 ZINC000520187028 421739301 /nfs/dbraw/zinc/73/93/01/421739301.db2.gz YQORIOQOWLRGCU-UHFFFAOYSA-N 1 0 307.306 1.148 20 5 DDBDRO CN(CCC[NH+](C)C)C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000539416956 421747833 /nfs/dbraw/zinc/74/78/33/421747833.db2.gz VXHOEZNHYVJPIW-UHFFFAOYSA-N 1 0 309.322 1.347 20 5 DDBDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000543767969 421841399 /nfs/dbraw/zinc/84/13/99/421841399.db2.gz ZGTHCZNQFDSXHT-NSHDSACASA-N 1 0 307.354 1.264 20 5 DDBDRO COC[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])C(C)C ZINC000544415763 421844782 /nfs/dbraw/zinc/84/47/82/421844782.db2.gz QIXJYNKRCWAAFV-STQMWFEESA-N 1 0 312.366 1.595 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000581238928 421928523 /nfs/dbraw/zinc/92/85/23/421928523.db2.gz GIDVXLPJINQQSR-TXEJJXNPSA-N 1 0 304.350 1.895 20 5 DDBDRO Cc1c(CNC(=O)N2CCC[C@@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000581715961 422031494 /nfs/dbraw/zinc/03/14/94/422031494.db2.gz OSEPNXDCVWQPPS-LBPRGKRZSA-N 1 0 306.366 1.784 20 5 DDBDRO COc1ccc(CC(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000582419606 422150191 /nfs/dbraw/zinc/15/01/91/422150191.db2.gz VBQFOOIIVCDBBY-CMPLNLGQSA-N 1 0 307.350 1.342 20 5 DDBDRO Cc1nc(N[C@@H](C)CN(C)CCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000596361112 422376720 /nfs/dbraw/zinc/37/67/20/422376720.db2.gz PRMPMOZHMIOHET-LBPRGKRZSA-N 1 0 309.414 1.982 20 5 DDBDRO Cc1ccc(S(=O)(=O)N[C@H](C)C[C@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000577729399 422417440 /nfs/dbraw/zinc/41/74/40/422417440.db2.gz MXRAALMAYCMEBV-VHSXEESVSA-N 1 0 301.368 1.307 20 5 DDBDRO COCC[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)(C)C ZINC000338377401 271042868 /nfs/dbraw/zinc/04/28/68/271042868.db2.gz IJUIUJWDYIFOFR-QWHCGFSZSA-N 1 0 314.386 1.193 20 5 DDBDRO COC(=O)c1cc(C)nc(N[C@H]2CC[N@H+](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000342365435 271390801 /nfs/dbraw/zinc/39/08/01/271390801.db2.gz VYYKYQXPAUYICL-MNOVXSKESA-N 1 0 322.365 1.979 20 5 DDBDRO Cn1ccnc1[C@@H]1OCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000343388001 271758114 /nfs/dbraw/zinc/75/81/14/271758114.db2.gz NOPCJOVYQIPIIY-UONOGXRCSA-N 1 0 302.334 1.948 20 5 DDBDRO CCCc1n[nH]c(C(=O)NCC[N@H+](CC)C(C)C)c1[N+](=O)[O-] ZINC000345577927 272282867 /nfs/dbraw/zinc/28/28/67/272282867.db2.gz WVDUQOLEWNZYQL-UHFFFAOYSA-N 1 0 311.386 1.731 20 5 DDBDRO CCCc1n[nH]c(C(=O)N[C@H](C)C[NH+](CC)CC)c1[N+](=O)[O-] ZINC000345602909 272288755 /nfs/dbraw/zinc/28/87/55/272288755.db2.gz QJUZZZQGGWKXHS-SNVBAGLBSA-N 1 0 311.386 1.731 20 5 DDBDRO CN(CC[NH+](C)C)C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000176809207 273795491 /nfs/dbraw/zinc/79/54/91/273795491.db2.gz XROUILOZVRTDAB-UHFFFAOYSA-N 1 0 317.349 1.414 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N(C)C[C@H]2CCC[N@@H+]2C)n1 ZINC000319331328 274003972 /nfs/dbraw/zinc/00/39/72/274003972.db2.gz RQRARFNGMINGKT-SNVBAGLBSA-N 1 0 308.338 1.307 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[NH+](C(C)C)CC2)c1 ZINC000302083984 274004222 /nfs/dbraw/zinc/00/42/22/274004222.db2.gz KDIQVKPINFNDIL-UHFFFAOYSA-N 1 0 307.350 1.912 20 5 DDBDRO [NH3+]C[C@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000237957039 274951295 /nfs/dbraw/zinc/95/12/95/274951295.db2.gz BEHMREUURYFFPB-SNVBAGLBSA-N 1 0 308.294 1.456 20 5 DDBDRO O=C1CC[C@H]([NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)CCN1 ZINC000450895391 275018120 /nfs/dbraw/zinc/01/81/20/275018120.db2.gz XNHPEFOFCFKFMX-ZDUSSCGKSA-N 1 0 318.377 1.386 20 5 DDBDRO CC(C)c1n[nH]c(C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000331216885 276041588 /nfs/dbraw/zinc/04/15/88/276041588.db2.gz PVNYOXLRRUJJDD-NXEZZACHSA-N 1 0 309.370 1.654 20 5 DDBDRO CC[C@@H](C)[C@@H]([NH3+])C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000236955599 276419531 /nfs/dbraw/zinc/41/95/31/276419531.db2.gz YUDKLWYGBPVINC-IUODEOHRSA-N 1 0 320.393 1.617 20 5 DDBDRO C[N@@H+]1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C(C)(C)C1 ZINC000408054496 277109039 /nfs/dbraw/zinc/10/90/39/277109039.db2.gz MFDOXQQPVHNPLZ-UHFFFAOYSA-N 1 0 321.377 1.987 20 5 DDBDRO COC[C@@H](CCO)[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000269030984 277245988 /nfs/dbraw/zinc/24/59/88/277245988.db2.gz SECJKIXCYKJZBZ-HUUCEWRRSA-N 1 0 308.378 1.903 20 5 DDBDRO CNC(=O)[C@H]1CCC[C@H]1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000429791485 277252649 /nfs/dbraw/zinc/25/26/49/277252649.db2.gz SOXAPRIDZJFWES-NWDGAFQWSA-N 1 0 307.350 1.478 20 5 DDBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)C[NH+]1CCCCC1 ZINC000125907802 278207449 /nfs/dbraw/zinc/20/74/49/278207449.db2.gz ZVFFTLCYGHDPKB-LLVKDONJSA-N 1 0 322.365 1.547 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC([NH3+])CC2)c1C ZINC000021806013 278744961 /nfs/dbraw/zinc/74/49/61/278744961.db2.gz VWLFJPDDHUGWSN-UHFFFAOYSA-N 1 0 313.379 1.323 20 5 DDBDRO C[C@@H]1[NH2+]CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[C@H]1C ZINC000277500204 279037258 /nfs/dbraw/zinc/03/72/58/279037258.db2.gz PAAIEGIWZIAWKD-IUCAKERBSA-N 1 0 308.294 1.325 20 5 DDBDRO [NH3+]C1(C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CCCC1 ZINC000237899631 279614570 /nfs/dbraw/zinc/61/45/70/279614570.db2.gz GPQIGOVAFAAKCG-UHFFFAOYSA-N 1 0 318.377 1.515 20 5 DDBDRO C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[C@@H](C[NH3+])C1 ZINC000293021104 279707796 /nfs/dbraw/zinc/70/77/96/279707796.db2.gz AJDRSOBPJVVJSL-TVQRCGJNSA-N 1 0 322.321 1.702 20 5 DDBDRO CC(C)C[C@H](Nc1ncccc1[N+](=O)[O-])C(=O)NCC[NH+](C)C ZINC000129491417 281346587 /nfs/dbraw/zinc/34/65/87/281346587.db2.gz XSTWROGJGWFZOE-LBPRGKRZSA-N 1 0 323.397 1.494 20 5 DDBDRO Nc1ccc([N+](=O)[O-])c(N2CCC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000192793468 295356127 /nfs/dbraw/zinc/35/61/27/295356127.db2.gz QTZCDSCTSORAJV-CYBMUJFWSA-N 1 0 320.393 1.726 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C)CC[C@H]2C)c1 ZINC000353991328 298331581 /nfs/dbraw/zinc/33/15/81/298331581.db2.gz AVOPKSMFDRAQBV-LLVKDONJSA-N 1 0 307.350 1.770 20 5 DDBDRO CN(C)C(=O)CC[NH+]1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000354010795 298338458 /nfs/dbraw/zinc/33/84/58/298338458.db2.gz RJJOGQHFZIRMSV-UHFFFAOYSA-N 1 0 320.393 1.191 20 5 DDBDRO Cc1ccc(C(=O)NC2(CCO)CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000354144609 298353389 /nfs/dbraw/zinc/35/33/89/298353389.db2.gz UTFWKCRFURIFSQ-UHFFFAOYSA-N 1 0 321.377 1.480 20 5 DDBDRO C[C@@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1CO ZINC000362077235 300001543 /nfs/dbraw/zinc/00/15/43/300001543.db2.gz MZTZSQYNALTNMR-VXGBXAGGSA-N 1 0 307.350 1.484 20 5 DDBDRO C[C@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1CO ZINC000362077233 300001548 /nfs/dbraw/zinc/00/15/48/300001548.db2.gz MZTZSQYNALTNMR-NWDGAFQWSA-N 1 0 307.350 1.484 20 5 DDBDRO COCCO[C@H]1COCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000362530024 300087691 /nfs/dbraw/zinc/08/76/91/300087691.db2.gz UZXZRUVGODPHLU-GJZGRUSLSA-N 1 0 310.350 1.505 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000363104345 300212171 /nfs/dbraw/zinc/21/21/71/300212171.db2.gz OHGOWMDTQZUFLJ-CYBMUJFWSA-N 1 0 321.381 1.187 20 5 DDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000363564386 300282924 /nfs/dbraw/zinc/28/29/24/300282924.db2.gz TXAHQHKEHIWWFB-KGLIPLIRSA-N 1 0 303.362 1.880 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CCC[N@@H+](C3CC3)CC2)c2nonc21 ZINC000364050216 300339150 /nfs/dbraw/zinc/33/91/50/300339150.db2.gz GERYGJUIRPODCD-UHFFFAOYSA-N 1 0 303.322 1.806 20 5 DDBDRO C[C@H]1CN(c2ccc([N+](=O)[O-])cn2)CCN1C1CC[NH+](C)CC1 ZINC000364383749 300387681 /nfs/dbraw/zinc/38/76/81/300387681.db2.gz MPXBDTZNEXJFFM-ZDUSSCGKSA-N 1 0 319.409 1.595 20 5 DDBDRO CC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365513287 300526146 /nfs/dbraw/zinc/52/61/46/300526146.db2.gz PAEQSLVSENGZSY-NWDGAFQWSA-N 1 0 323.397 1.731 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)Cc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000368596673 301061160 /nfs/dbraw/zinc/06/11/60/301061160.db2.gz VVHQXTMTTFQXKN-DOMZBBRYSA-N 1 0 303.362 1.690 20 5 DDBDRO CC(C)C[N@@H+]1CCCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000369310564 301161875 /nfs/dbraw/zinc/16/18/75/301161875.db2.gz RNSLWWCHVFGVIA-UHFFFAOYSA-N 1 0 320.393 1.981 20 5 DDBDRO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000370491587 301350315 /nfs/dbraw/zinc/35/03/15/301350315.db2.gz MNKLKPZHCSWZLX-JTQLQIEISA-N 1 0 322.340 1.626 20 5 DDBDRO Cc1ccc(C)c(S(=O)(=O)N2C[C@H](C)[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000440845356 301554601 /nfs/dbraw/zinc/55/46/01/301554601.db2.gz KBTGEFIAWMJXAM-WDEREUQCSA-N 1 0 313.379 1.179 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000375994948 302021085 /nfs/dbraw/zinc/02/10/85/302021085.db2.gz OJLALPCUDGNNMF-OUCADQQQSA-N 1 0 308.382 1.844 20 5 DDBDRO O=C(Cc1ccccc1[N+](=O)[O-])NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000377475391 302182388 /nfs/dbraw/zinc/18/23/88/302182388.db2.gz MBRLWJCLNUGEMC-KGLIPLIRSA-N 1 0 319.361 1.117 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[NH2+][C@H](C)C1 ZINC000420340917 302382993 /nfs/dbraw/zinc/38/29/93/302382993.db2.gz TXESQGRGTUGGEJ-GFCCVEGCSA-N 1 0 306.366 1.526 20 5 DDBDRO CCCc1n[nH]c(C(=O)NCc2ccc(C[NH3+])cc2)c1[N+](=O)[O-] ZINC000517375718 302812262 /nfs/dbraw/zinc/81/22/62/302812262.db2.gz USOLWVAKIKVSLJ-UHFFFAOYSA-N 1 0 317.349 1.659 20 5 DDBDRO CN(CC(=O)N1CCC(CC[NH3+])CC1)c1ccccc1[N+](=O)[O-] ZINC000517753528 302818263 /nfs/dbraw/zinc/81/82/63/302818263.db2.gz GXIZQXRUNSQTKF-UHFFFAOYSA-N 1 0 320.393 1.618 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000531726631 303253303 /nfs/dbraw/zinc/25/33/03/303253303.db2.gz QXIZQSMBMSFAAQ-WCQYABFASA-N 1 0 306.366 1.490 20 5 DDBDRO COC1(CC[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCC1 ZINC000562998274 303908153 /nfs/dbraw/zinc/90/81/53/303908153.db2.gz DUOZQXWRXDXSMF-AWEZNQCLSA-N 1 0 324.377 1.883 20 5 DDBDRO O=[N+]([O-])c1cnc2ccc(N3CCC[N@@H+]4CCC[C@H]4C3)nn21 ZINC000367303907 307091369 /nfs/dbraw/zinc/09/13/69/307091369.db2.gz ZKKIDGQLFXTFDD-NSHDSACASA-N 1 0 302.338 1.312 20 5 DDBDRO CCC[N@@H+]1CCCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000373106603 307179003 /nfs/dbraw/zinc/17/90/03/307179003.db2.gz KWAQTQKDZXUVLX-UHFFFAOYSA-N 1 0 308.338 1.253 20 5 DDBDRO C[C@]1(CNC(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])CCC[N@@H+]1Cc1ccccc1 ZINC000373608737 307191940 /nfs/dbraw/zinc/19/19/40/307191940.db2.gz DTVBFYPHPNCEIB-HLLBOEOZSA-N 1 0 317.389 1.823 20 5 DDBDRO COc1cc(C(=O)N2CC[C@@H]3CC[N@H+](C)[C@H]3C2)ccc1[N+](=O)[O-] ZINC000376642886 307251156 /nfs/dbraw/zinc/25/11/56/307251156.db2.gz MLLUEUZLLUSESB-FZMZJTMJSA-N 1 0 319.361 1.770 20 5 DDBDRO CNC(=O)c1ccc(NC[C@H]2CC[N@@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000391175255 307294091 /nfs/dbraw/zinc/29/40/91/307294091.db2.gz HRPZVBSLVSJZTF-LLVKDONJSA-N 1 0 318.377 1.851 20 5 DDBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)NCc3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC000516261607 307413990 /nfs/dbraw/zinc/41/39/90/307413990.db2.gz UDYDMTRQZTUEAK-NWANDNLSSA-N 1 0 318.377 1.864 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCCS(C)(=O)=O ZINC000540192249 307685933 /nfs/dbraw/zinc/68/59/33/307685933.db2.gz BAFXQTHWSYGNTI-NSHDSACASA-N 1 0 300.380 1.989 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC(CC[NH3+])CC1 ZINC000564662365 308002336 /nfs/dbraw/zinc/00/23/36/308002336.db2.gz YPNGEPYRIMKXHD-UHFFFAOYSA-N 1 0 320.393 1.903 20 5 DDBDRO CCc1ccc(S(=O)(=O)NCC2([NH3+])CCC2)cc1[N+](=O)[O-] ZINC000565422807 308030730 /nfs/dbraw/zinc/03/07/30/308030730.db2.gz UKXVFPHHAWFQGX-UHFFFAOYSA-N 1 0 313.379 1.317 20 5 DDBDRO [NH3+]C1CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000566195396 308049054 /nfs/dbraw/zinc/04/90/54/308049054.db2.gz PGBBFCFUKAKOHL-UHFFFAOYSA-N 1 0 300.318 1.706 20 5 DDBDRO [NH3+]CC[C@@H]1CCCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000567915830 308099540 /nfs/dbraw/zinc/09/95/40/308099540.db2.gz VRRDWFZPHFFOOJ-JTQLQIEISA-N 1 0 321.333 1.525 20 5 DDBDRO [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000573922589 308256116 /nfs/dbraw/zinc/25/61/16/308256116.db2.gz IDFAJUQIQXSRNR-GFCCVEGCSA-N 1 0 301.302 1.886 20 5 DDBDRO CCCc1n[nH]c(C(=O)N2CC[C@]3(C2)CCC[NH2+]C3)c1[N+](=O)[O-] ZINC000573968120 308257527 /nfs/dbraw/zinc/25/75/27/308257527.db2.gz GMLBVFAIRYRGCM-OAHLLOKOSA-N 1 0 321.381 1.486 20 5 DDBDRO Cc1cccc(CCC[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)n1 ZINC000574074248 308260829 /nfs/dbraw/zinc/26/08/29/308260829.db2.gz YPIAONZWXKVFAI-OAHLLOKOSA-N 1 0 319.365 1.078 20 5 DDBDRO COc1ccc(NC(=O)CN2CC[C@H]([NH3+])C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000578244967 308448911 /nfs/dbraw/zinc/44/89/11/308448911.db2.gz XDJMTCHMOYDYJT-QWRGUYRKSA-N 1 0 322.365 1.354 20 5 DDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000578610562 308472375 /nfs/dbraw/zinc/47/23/75/308472375.db2.gz BVNRUNARJROQAO-OLZOCXBDSA-N 1 0 323.397 1.452 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CCn2cccc2)c1 ZINC000580314520 308595405 /nfs/dbraw/zinc/59/54/05/308595405.db2.gz XJEBGDUDTOMMHI-CQSZACIVSA-N 1 0 305.334 1.426 20 5 DDBDRO [NH3+]CC[C@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(F)F ZINC000383464054 325749270 /nfs/dbraw/zinc/74/92/70/325749270.db2.gz KHYVOVVSUIVYLO-QMMMGPOBSA-N 1 0 307.684 1.961 20 5 DDBDRO CC(C)(C(=O)N1CC[C@]2(C1)CCC[NH2+]C2)n1cc([N+](=O)[O-])cn1 ZINC000583559341 335727587 /nfs/dbraw/zinc/72/75/87/335727587.db2.gz DCWJEZDRSDFXDE-OAHLLOKOSA-N 1 0 321.381 1.129 20 5 DDBDRO CC[NH2+]CCCNS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000036299401 337352806 /nfs/dbraw/zinc/35/28/06/337352806.db2.gz SVRUOKPRIUNAKQ-UHFFFAOYSA-N 1 0 315.395 1.490 20 5 DDBDRO COc1ccc(CC(=O)NC[C@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000600271916 490384258 /nfs/dbraw/zinc/38/42/58/490384258.db2.gz KSYJLNKMPQZGBE-GFCCVEGCSA-N 1 0 307.350 1.356 20 5 DDBDRO COC(=O)c1cc(C(=O)NCC[C@@H]2CC[NH2+]C2)cc([N+](=O)[O-])c1 ZINC000422812645 533733909 /nfs/dbraw/zinc/73/39/09/533733909.db2.gz YBLMJTGPYQTYRH-JTQLQIEISA-N 1 0 321.333 1.111 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H]2CCC[C@H]([NH3+])C2)n1 ZINC000420290072 534245589 /nfs/dbraw/zinc/24/55/89/534245589.db2.gz UEVRDLFNZDQRPK-ZJUUUORDSA-N 1 0 308.338 1.706 20 5 DDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCC(=O)N1CCOCC1 ZINC000449091610 534254119 /nfs/dbraw/zinc/25/41/19/534254119.db2.gz QSBYFCWATFGYKB-ZDUSSCGKSA-N 1 0 321.377 1.364 20 5 DDBDRO COC(=O)c1cnc(NCC[C@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC000413439417 534306900 /nfs/dbraw/zinc/30/69/00/534306900.db2.gz NOCSLFPLRKFDGF-LLVKDONJSA-N 1 0 322.365 1.920 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCC(C)(C)[NH3+] ZINC000415469817 534320521 /nfs/dbraw/zinc/32/05/21/534320521.db2.gz MSJBXJMDGISAKG-UHFFFAOYSA-N 1 0 308.338 1.004 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H]1CCO[C@@H]1C1CC1 ZINC000494453922 534338767 /nfs/dbraw/zinc/33/87/67/534338767.db2.gz KQVMHUHWKKSXTN-CZUORRHYSA-N 1 0 319.361 1.999 20 5 DDBDRO Cc1nc(N(CC[NH3+])CCc2ccccc2)ncc1[N+](=O)[O-] ZINC000420248520 534439265 /nfs/dbraw/zinc/43/92/65/534439265.db2.gz WKTHUDYIFMHZJN-UHFFFAOYSA-N 1 0 301.350 1.701 20 5 DDBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000417234149 534462658 /nfs/dbraw/zinc/46/26/58/534462658.db2.gz PIZOWCAQXRNKEN-ZIAGYGMSSA-N 1 0 318.377 1.388 20 5 DDBDRO CC(=O)[C@@H](NC(=O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000451107552 527130630 /nfs/dbraw/zinc/13/06/30/527130630.db2.gz ZKXZZBFXICPLDB-ZBEGNZNMSA-N 1 0 321.377 1.975 20 5 DDBDRO CC(C)([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(F)c1 ZINC000305774818 527293883 /nfs/dbraw/zinc/29/38/83/527293883.db2.gz MUOVQMAYKBPDPA-AWEZNQCLSA-N 1 0 322.340 1.816 20 5 DDBDRO O=[N+]([O-])c1cnn(CCN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000157318308 527414795 /nfs/dbraw/zinc/41/47/95/527414795.db2.gz DANCSXSHFSUEIL-UHFFFAOYSA-N 1 0 315.377 1.609 20 5 DDBDRO CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000422747688 527908755 /nfs/dbraw/zinc/90/87/55/527908755.db2.gz ZJJNHARPLCVGQU-ZIAGYGMSSA-N 1 0 307.350 1.021 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCC3(CC[NH2+]3)CC2)c1 ZINC000424052836 528610581 /nfs/dbraw/zinc/61/05/81/528610581.db2.gz NLOYHLGHTBYNBS-UHFFFAOYSA-N 1 0 319.361 1.962 20 5 DDBDRO CCC[C@@H]([NH2+]C[C@@H](O)Cn1ccnn1)c1cccc([N+](=O)[O-])c1 ZINC000414181887 529010613 /nfs/dbraw/zinc/01/06/13/529010613.db2.gz MMSHQBAUZLZFJM-HUUCEWRRSA-N 1 0 319.365 1.678 20 5 DDBDRO CC1(C)COC[C@@H]1[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000451822666 529133637 /nfs/dbraw/zinc/13/36/37/529133637.db2.gz HZNBXVPTBJDNTQ-OCCSQVGLSA-N 1 0 310.350 1.349 20 5 DDBDRO CC[C@H](CNS(C)(=O)=O)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000294974051 529366598 /nfs/dbraw/zinc/36/65/98/529366598.db2.gz GCOPUQYRBWTWSL-LLVKDONJSA-N 1 0 301.368 1.012 20 5 DDBDRO CN(C1CC[NH+](C)CC1)S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000119302851 696678968 /nfs/dbraw/zinc/67/89/68/696678968.db2.gz RZJMFECBQCDZFI-UHFFFAOYSA-N 1 0 319.408 1.371 20 5 DDBDRO C[NH+](C)C[C@H]1CCN(S(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000119762409 696685186 /nfs/dbraw/zinc/68/51/86/696685186.db2.gz IWUFMNWKWUVDGE-SECBINFHSA-N 1 0 319.408 1.229 20 5 DDBDRO C[NH+](C)C[C@@H]1CCN(S(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000119762228 696685222 /nfs/dbraw/zinc/68/52/22/696685222.db2.gz IWUFMNWKWUVDGE-VIFPVBQESA-N 1 0 319.408 1.229 20 5 DDBDRO Cc1cc(F)cc(C(=O)NC[C@](C)(O)C[NH+](C)C)c1[N+](=O)[O-] ZINC000152824038 696905863 /nfs/dbraw/zinc/90/58/63/696905863.db2.gz HYXPLIUCAALZPW-AWEZNQCLSA-N 1 0 313.329 1.085 20 5 DDBDRO CC(C)=CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC000981764252 696907088 /nfs/dbraw/zinc/90/70/88/696907088.db2.gz QLLGWXPKIWECGS-ZIAGYGMSSA-N 1 0 307.394 1.542 20 5 DDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[N@H+](CCCC2CCC2)CC1 ZINC000981138129 697015622 /nfs/dbraw/zinc/01/56/22/697015622.db2.gz LNAAXAWHSTUGFW-HUUCEWRRSA-N 1 0 309.410 1.766 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@H](c2ccccn2)C1 ZINC000799197737 700127953 /nfs/dbraw/zinc/12/79/53/700127953.db2.gz HWWXMFINDHZMAN-ZDUSSCGKSA-N 1 0 314.345 1.641 20 5 DDBDRO Cc1nn(CN2CC[C@H](C[NH+]3CCOCC3)C2)c(C)c1[N+](=O)[O-] ZINC000172935815 697373446 /nfs/dbraw/zinc/37/34/46/697373446.db2.gz ADXVKJGQELSQLX-CQSZACIVSA-N 1 0 323.397 1.020 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@@H](O)c2ccccc2)c1 ZINC000749644396 700175109 /nfs/dbraw/zinc/17/51/09/700175109.db2.gz FFWKWUOOPIWNJF-CVEARBPZSA-N 1 0 302.330 1.951 20 5 DDBDRO C[C@H]1OCC[C@]1(O)C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000227145468 697768770 /nfs/dbraw/zinc/76/87/70/697768770.db2.gz HRPFRCOQOSCAJW-RNCFNFMXSA-N 1 0 300.742 1.878 20 5 DDBDRO COC(=O)CC1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000749685228 700176798 /nfs/dbraw/zinc/17/67/98/700176798.db2.gz DHKKYOPTVSZHLJ-OAHLLOKOSA-N 1 0 322.361 1.903 20 5 DDBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@H]3CCC=CO3)CC2)cn1 ZINC000774836546 697933549 /nfs/dbraw/zinc/93/35/49/697933549.db2.gz SOWVLCVFVPDWDI-CQSZACIVSA-N 1 0 304.350 1.805 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCC[C@@H](C3OCCO3)C2)cc1 ZINC000776582955 698121545 /nfs/dbraw/zinc/12/15/45/698121545.db2.gz XSCFOWVCVMUPSE-HIFRSBDPSA-N 1 0 322.361 1.713 20 5 DDBDRO COc1cc(N)c([N+](=O)[O-])cc1C(=O)OCCC[NH+]1CCCC1 ZINC000800214902 700204494 /nfs/dbraw/zinc/20/44/94/700204494.db2.gz UWVKNKVZRNZOAA-UHFFFAOYSA-N 1 0 323.349 1.828 20 5 DDBDRO COC[C@]1(CNC(=O)c2cc([N+](=O)[O-])ccc2C)CCC[NH2+]1 ZINC000262497091 698472198 /nfs/dbraw/zinc/47/21/98/698472198.db2.gz LPDJTQDHRUYLOM-OAHLLOKOSA-N 1 0 307.350 1.402 20 5 DDBDRO CCCC(=O)N1CCC([NH2+]Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000989855553 698798692 /nfs/dbraw/zinc/79/86/92/698798692.db2.gz VKMTYRVRPUZGHS-UHFFFAOYSA-N 1 0 309.370 1.209 20 5 DDBDRO COCC[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000786193008 699133525 /nfs/dbraw/zinc/13/35/25/699133525.db2.gz VYNCWUNIDXTWLO-LSDHHAIUSA-N 1 0 310.350 1.366 20 5 DDBDRO C[C@@H]([NH2+]C[C@@H](O)COCC1CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788586201 699325635 /nfs/dbraw/zinc/32/56/35/699325635.db2.gz ZDCJAZMNEYVXJA-ZWNOBZJWSA-N 1 0 309.366 1.615 20 5 DDBDRO CC[N@@H+]1CCC[C@H](CNC(=O)c2cc(C)cc([N+](=O)[O-])c2N)C1 ZINC000729528431 699481627 /nfs/dbraw/zinc/48/16/27/699481627.db2.gz AUIBIBMLFQTZKY-GFCCVEGCSA-N 1 0 320.393 1.947 20 5 DDBDRO C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC[N@@H+]1C ZINC000801911958 700352232 /nfs/dbraw/zinc/35/22/32/700352232.db2.gz WNCUUOLZMFWUOS-IUCAKERBSA-N 1 0 310.329 1.529 20 5 DDBDRO C[N@@H+]1CCCC[C@H]1C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000757643433 700667281 /nfs/dbraw/zinc/66/72/81/700667281.db2.gz RLQRXNODJSVCMK-HNNXBMFYSA-N 1 0 303.362 1.964 20 5 DDBDRO O=C(CC[NH2+][C@@H](CCO)C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000763069976 700923958 /nfs/dbraw/zinc/92/39/58/700923958.db2.gz UYEKNIHNWICTSH-LBPRGKRZSA-N 1 0 307.350 1.674 20 5 DDBDRO C[NH+](C)CCNC(=S)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000768481309 701181736 /nfs/dbraw/zinc/18/17/36/701181736.db2.gz WXUKQYGGEJEFGK-UHFFFAOYSA-N 1 0 322.434 1.995 20 5 DDBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000804778276 701212401 /nfs/dbraw/zinc/21/24/01/701212401.db2.gz RCRRTITVVUUBDL-JTQLQIEISA-N 1 0 324.356 1.920 20 5 DDBDRO CC[C@@H](CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000839517582 701721950 /nfs/dbraw/zinc/72/19/50/701721950.db2.gz RZZHLJPQMORYBF-ARFHVFGLSA-N 1 0 317.389 1.605 20 5 DDBDRO O=C(N[C@@H](C[NH+]1CCCCC1)c1ccccc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839689149 701784189 /nfs/dbraw/zinc/78/41/89/701784189.db2.gz KJRUVWAFVXYWDJ-OWCLPIDISA-N 1 0 317.389 1.995 20 5 DDBDRO C[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000839700198 701789626 /nfs/dbraw/zinc/78/96/26/701789626.db2.gz CUEOTLHVBXFTEC-ZGKBOVNRSA-N 1 0 303.362 1.431 20 5 DDBDRO COC[C@@]1(C(=O)NCc2ccc(C)c([N+](=O)[O-])c2)CC[NH2+]C1 ZINC000867995329 701879785 /nfs/dbraw/zinc/87/97/85/701879785.db2.gz AAJZQYNMUKYXJB-OAHLLOKOSA-N 1 0 307.350 1.146 20 5 DDBDRO C[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CCC1(C)C ZINC000866113167 706622207 /nfs/dbraw/zinc/62/22/07/706622207.db2.gz VHOUPKIJDOOXIO-UHFFFAOYSA-N 1 0 306.366 1.614 20 5 DDBDRO CO[C@@H]1C[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)[C@](C)(CO)C1 ZINC000879262752 706633521 /nfs/dbraw/zinc/63/35/21/706633521.db2.gz ZIIGSPRBXDKZJZ-ZNMIVQPWSA-N 1 0 310.350 1.100 20 5 DDBDRO CO[C@@H]1CC[C@H](C)[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000879318736 706647868 /nfs/dbraw/zinc/64/78/68/706647868.db2.gz ZXQJKCVZBWBBBP-DUVNUKRYSA-N 1 0 324.377 1.834 20 5 DDBDRO C[NH+](C)C1(CNC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)CC1 ZINC000841455444 702456298 /nfs/dbraw/zinc/45/62/98/702456298.db2.gz SBNGVCBSDNZBTL-UHFFFAOYSA-N 1 0 321.362 1.424 20 5 DDBDRO CC(C)c1[nH]nc(-c2nc([C@H]3CCC[NH2+]C3)no2)c1[N+](=O)[O-] ZINC000842670586 702753971 /nfs/dbraw/zinc/75/39/71/702753971.db2.gz PLHQRMDFGBCILJ-QMMMGPOBSA-N 1 0 306.326 1.958 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@H](C)[C@H](C)[NH3+])c1 ZINC000842881928 702786594 /nfs/dbraw/zinc/78/65/94/702786594.db2.gz MIRZLFSBRLWYSO-JGVFFNPUSA-N 1 0 321.786 1.571 20 5 DDBDRO CC[C@@H]([NH3+])CNS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000842885930 702787303 /nfs/dbraw/zinc/78/73/03/702787303.db2.gz DCKVQLQBFGDEGE-MRVPVSSYSA-N 1 0 321.786 1.572 20 5 DDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CCCN2CCC(O)CC2)cc1 ZINC000843062800 702811107 /nfs/dbraw/zinc/81/11/07/702811107.db2.gz SHTBRKSEGNNHND-MRXNPFEDSA-N 1 0 323.393 1.065 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@@H]2c3ccccc3C[C@@H]2O)cc1 ZINC000843063816 702811611 /nfs/dbraw/zinc/81/16/11/702811611.db2.gz AWROHLCULGRCMP-YESZJQIVSA-N 1 0 314.341 1.876 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@H]2CCCN2CCCO)c1 ZINC000843090544 702817073 /nfs/dbraw/zinc/81/70/73/702817073.db2.gz YVEIQYPSSOFPDJ-CVEARBPZSA-N 1 0 323.393 1.065 20 5 DDBDRO CC[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H](O)C(F)F ZINC000843116334 702822087 /nfs/dbraw/zinc/82/20/87/702822087.db2.gz WNFGJHJOFYIKAW-SDDRHHMPSA-N 1 0 304.293 1.622 20 5 DDBDRO C[C@@H](Cc1nc(-c2c([N+](=O)[O-])ncn2C)no1)[C@@H]1CCC[NH2+]C1 ZINC000843223607 702845609 /nfs/dbraw/zinc/84/56/09/702845609.db2.gz SHHRJXPNGRLIQS-VHSXEESVSA-N 1 0 320.353 1.557 20 5 DDBDRO CN(CCC[NH3+])CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000843350921 702864404 /nfs/dbraw/zinc/86/44/04/702864404.db2.gz BNNCKPVJJRKSLQ-UHFFFAOYSA-N 1 0 300.746 1.467 20 5 DDBDRO CC1(OCC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C[NH2+]C1 ZINC000843449551 702884923 /nfs/dbraw/zinc/88/49/23/702884923.db2.gz QFDUTVOGBKTWTP-UHFFFAOYSA-N 1 0 313.741 1.243 20 5 DDBDRO [NH3+]CCCCCCNC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000843510755 702897594 /nfs/dbraw/zinc/89/75/94/702897594.db2.gz VMBBCQQUTFVSPU-UHFFFAOYSA-N 1 0 313.329 1.748 20 5 DDBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CC[NH+]2CCC1CC2 ZINC000843862897 702934942 /nfs/dbraw/zinc/93/49/42/702934942.db2.gz JMGJWVWASRLBNB-UHFFFAOYSA-N 1 0 307.325 1.963 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCO[C@H]2CC2(F)F)c1 ZINC000849327706 703635774 /nfs/dbraw/zinc/63/57/74/703635774.db2.gz UWFXGEKWRIQCKO-NEPJUHHUSA-N 1 0 302.277 1.642 20 5 DDBDRO Cc1cncc(CC[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC000849332052 703636158 /nfs/dbraw/zinc/63/61/58/703636158.db2.gz ZNUHOIGVOKTRNQ-HNNXBMFYSA-N 1 0 302.334 1.559 20 5 DDBDRO CCO[C@@H](CNC(=O)c1cc([N+](=O)[O-])c(C)cc1C)C[NH+](C)C ZINC000831713832 706759875 /nfs/dbraw/zinc/75/98/75/706759875.db2.gz QCAXEIBPUVEJBH-ZDUSSCGKSA-N 1 0 323.393 1.908 20 5 DDBDRO O=C1CC[C@@H](C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)O1 ZINC000851844328 703868909 /nfs/dbraw/zinc/86/89/09/703868909.db2.gz VVWGGNHIXBTEKE-PWSUYJOCSA-N 1 0 306.322 1.182 20 5 DDBDRO Cn1c(C(=O)N2CCCc3cc(C[NH3+])ccc32)ccc1[N+](=O)[O-] ZINC000818551528 703923898 /nfs/dbraw/zinc/92/38/98/703923898.db2.gz DYLFKFWAMSBPQD-UHFFFAOYSA-N 1 0 314.345 1.985 20 5 DDBDRO O=C1CCC2=C(CC[N@@H+](CCOc3cccc([N+](=O)[O-])c3)C2)N1 ZINC000852300568 704003685 /nfs/dbraw/zinc/00/36/85/704003685.db2.gz SIQCZBPDVTVKMZ-UHFFFAOYSA-N 1 0 317.345 1.843 20 5 DDBDRO CCc1cc(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])[nH]n1 ZINC000819052669 704059842 /nfs/dbraw/zinc/05/98/42/704059842.db2.gz BYPGTORJFBVVJR-UHFFFAOYSA-N 1 0 317.349 1.999 20 5 DDBDRO CCNC(=O)N1CC[C@@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000819160539 704078456 /nfs/dbraw/zinc/07/84/56/704078456.db2.gz GVIHYTJBQDCHHB-TZMCWYRMSA-N 1 0 322.365 1.022 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]Cc1cccc(F)n1 ZINC000819182754 704082923 /nfs/dbraw/zinc/08/29/23/704082923.db2.gz HYPZYQKZYPDZPF-GFCCVEGCSA-N 1 0 321.308 1.658 20 5 DDBDRO CN(C)c1cccc(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000819191214 704084230 /nfs/dbraw/zinc/08/42/30/704084230.db2.gz PAKVFXHQEBAHEV-OAHLLOKOSA-N 1 0 316.361 1.879 20 5 DDBDRO O=C1C[C@H](C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CN1C1CC1 ZINC000819217862 704088723 /nfs/dbraw/zinc/08/87/23/704088723.db2.gz HHQQRJKGRUESRG-IAQYHMDHSA-N 1 0 319.361 1.229 20 5 DDBDRO CC(=O)N1CCC[C@@H](C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000819277287 704099921 /nfs/dbraw/zinc/09/99/21/704099921.db2.gz GRNJAZYCXYHWAS-XJKSGUPXSA-N 1 0 321.377 1.476 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@@H]2CCc3nc[nH]c3C2)cc1 ZINC000819321830 704107432 /nfs/dbraw/zinc/10/74/32/704107432.db2.gz OGRPXRRHNZKITM-ABAIWWIYSA-N 1 0 302.334 1.498 20 5 DDBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852821097 704136176 /nfs/dbraw/zinc/13/61/76/704136176.db2.gz GSBHXGJVEYRIHG-CYBMUJFWSA-N 1 0 320.349 1.435 20 5 DDBDRO [NH3+][C@@H]1CCCN(C(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)C1 ZINC000857763310 704621775 /nfs/dbraw/zinc/62/17/75/704621775.db2.gz WNACCYUWJWWCMY-SECBINFHSA-N 1 0 315.276 1.516 20 5 DDBDRO C[C@@H]([NH3+])[C@@H](C)NC(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857766719 704622399 /nfs/dbraw/zinc/62/23/99/704622399.db2.gz VPIBMWWKKCINPF-HTQZYQBOSA-N 1 0 303.265 1.418 20 5 DDBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000823970660 705347697 /nfs/dbraw/zinc/34/76/97/705347697.db2.gz GTSFGJNGYMAYJE-KGLIPLIRSA-N 1 0 307.350 1.229 20 5 DDBDRO CC(C)[N@H+](C)CCCNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000824964403 705567893 /nfs/dbraw/zinc/56/78/93/705567893.db2.gz VWNOIOZLDZVTJC-CQSZACIVSA-N 1 0 309.366 1.475 20 5 DDBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000825505812 705684065 /nfs/dbraw/zinc/68/40/65/705684065.db2.gz WJPDOLFFQPLBBE-WFASDCNBSA-N 1 0 321.377 1.476 20 5 DDBDRO C[NH+](C)C[C@H]1CCCN1C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825614968 705703549 /nfs/dbraw/zinc/70/35/49/705703549.db2.gz DPUAOKYVGZOSFW-KGLIPLIRSA-N 1 0 307.350 1.181 20 5 DDBDRO CC(C)[N@@H+]1CCCN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000825676175 705712820 /nfs/dbraw/zinc/71/28/20/705712820.db2.gz SVXIGNOGWGMSKD-HNNXBMFYSA-N 1 0 321.377 1.571 20 5 DDBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825987875 705754933 /nfs/dbraw/zinc/75/49/33/705754933.db2.gz PCOLIWSMFVSJDM-HIFRSBDPSA-N 1 0 321.377 1.619 20 5 DDBDRO O=C(NCCNc1ccccc1[N+](=O)[O-])[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876563650 705759836 /nfs/dbraw/zinc/75/98/36/705759836.db2.gz KUGDSAXRBMECDY-ZWNOBZJWSA-N 1 0 310.329 1.071 20 5 DDBDRO COC(=O)C1=CC[C@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000863572505 705961342 /nfs/dbraw/zinc/96/13/42/705961342.db2.gz OYMWQPCXRFEQBN-JSGCOSHPSA-N 1 0 306.318 1.480 20 5 DDBDRO C[C@H]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C[NH2+]1 ZINC000877050073 705972078 /nfs/dbraw/zinc/97/20/78/705972078.db2.gz XSSANNGFRAOPMJ-WDEREUQCSA-N 1 0 306.366 1.531 20 5 DDBDRO C[C@H]([NH3+])CN(C)C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000877099513 705983132 /nfs/dbraw/zinc/98/31/32/705983132.db2.gz LHCPNGBUIUSWIB-ZETCQYMHSA-N 1 0 316.155 1.777 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)COc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000827363507 705985603 /nfs/dbraw/zinc/98/56/03/705985603.db2.gz BBEAWCZSVYSKJX-IUODEOHRSA-N 1 0 319.361 1.526 20 5 DDBDRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000877110858 705986726 /nfs/dbraw/zinc/98/67/26/705986726.db2.gz ARYCOXLUGVEONU-SMDDNHRTSA-N 1 0 318.377 1.675 20 5 DDBDRO COc1cc(C(=O)N2C3CCC2(C[NH3+])CC3)ccc1[N+](=O)[O-] ZINC000877191503 706012438 /nfs/dbraw/zinc/01/24/38/706012438.db2.gz XUUWMPAILWOODN-UHFFFAOYSA-N 1 0 305.334 1.699 20 5 DDBDRO Cn1c(C(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)ccc1[N+](=O)[O-] ZINC000877346586 706073943 /nfs/dbraw/zinc/07/39/43/706073943.db2.gz SHYIPJACVQFGBQ-CYBMUJFWSA-N 1 0 314.345 1.378 20 5 DDBDRO CC[C@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)[C@@H](O)C(F)F ZINC000877560756 706143197 /nfs/dbraw/zinc/14/31/97/706143197.db2.gz AEMHAHPKEIKNLD-MQBNAMFZSA-N 1 0 304.297 1.489 20 5 DDBDRO O=C(N1C[C@@H]2C[C@H]1C[NH2+]2)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000864615456 706213999 /nfs/dbraw/zinc/21/39/99/706213999.db2.gz DNMMCQHUCZCWLP-WPRPVWTQSA-N 1 0 313.260 1.139 20 5 DDBDRO Cc1ccc(CN2CCN(C(=O)C[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000877958995 706251163 /nfs/dbraw/zinc/25/11/63/706251163.db2.gz QYUWJYSFPQJGNP-UHFFFAOYSA-N 1 0 320.393 1.109 20 5 DDBDRO O=C1NCC[C@H]2CCC[N@@H+](CCc3ccc([N+](=O)[O-])cc3)[C@H]12 ZINC000880529343 707006005 /nfs/dbraw/zinc/00/60/05/707006005.db2.gz KXXXSLPMKUJTRF-HIFRSBDPSA-N 1 0 303.362 1.738 20 5 DDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H]2CC23CCC3)cc1 ZINC000872252058 707349943 /nfs/dbraw/zinc/34/99/43/707349943.db2.gz RBGXFYGHWQKYKF-CYBMUJFWSA-N 1 0 310.375 1.901 20 5 DDBDRO CC(C)[N@@H+]1CCCC[C@@H]1COC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000837611756 707695745 /nfs/dbraw/zinc/69/57/45/707695745.db2.gz GMNCJPJTUQDVIP-LLVKDONJSA-N 1 0 310.354 1.748 20 5 DDBDRO Cc1c(C[NH2+][C@@H]2CCc3c(nnn3C)C2)cccc1[N+](=O)[O-] ZINC000873132981 707743841 /nfs/dbraw/zinc/74/38/41/707743841.db2.gz LRSVANWAZCCSDI-GFCCVEGCSA-N 1 0 301.350 1.679 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)[NH2+]C[C@H]2CCSC2)cc1 ZINC000873192946 707763001 /nfs/dbraw/zinc/76/30/01/707763001.db2.gz LQARHXCDRJGJCJ-LERXQTSPSA-N 1 0 312.391 1.332 20 5 DDBDRO CCN1CC[C@@H]1C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000883355534 707983411 /nfs/dbraw/zinc/98/34/11/707983411.db2.gz TWONXHVXXAQFIN-RDBSUJKOSA-N 1 0 307.398 1.959 20 5 DDBDRO CCO[C@@H](CNCc1nc2cc([N+](=O)[O-])ccc2o1)C[NH+](C)C ZINC000896879820 708171232 /nfs/dbraw/zinc/17/12/32/708171232.db2.gz HZKFEMUHJAJBGX-LBPRGKRZSA-N 1 0 322.365 1.792 20 5 DDBDRO CC1(C)C[NH2+]C[C@H]1C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000884323400 708244454 /nfs/dbraw/zinc/24/44/54/708244454.db2.gz NLYCOCSQRCLPFH-LBPRGKRZSA-N 1 0 321.381 1.200 20 5 DDBDRO C[C@@H](C[NH2+][C@@H](C)CS(C)(=O)=O)c1ccccc1[N+](=O)[O-] ZINC000897463780 708339415 /nfs/dbraw/zinc/33/94/15/708339415.db2.gz IUPMBQXLMGXPJX-QWRGUYRKSA-N 1 0 300.380 1.721 20 5 DDBDRO Cn1nnnc1CCC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000898036643 708524631 /nfs/dbraw/zinc/52/46/31/708524631.db2.gz HGLJPXJEYUOMOG-LBPRGKRZSA-N 1 0 302.338 1.328 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)OCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000912594539 713041348 /nfs/dbraw/zinc/04/13/48/713041348.db2.gz QMSGTOMWQCSMFQ-UHFFFAOYSA-N 1 0 311.294 1.920 20 5 DDBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@@H](n2ccnn2)CC1 ZINC000886281192 708735058 /nfs/dbraw/zinc/73/50/58/708735058.db2.gz UOLBDRODCAYVDC-CYBMUJFWSA-N 1 0 302.338 1.809 20 5 DDBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N1CC([NH+]2CCCC2)C1 ZINC000898609304 708809714 /nfs/dbraw/zinc/80/97/14/708809714.db2.gz IIGHQLQOXNPADJ-UHFFFAOYSA-N 1 0 303.362 1.834 20 5 DDBDRO C[C@@H]1CN(c2cc[nH+]cc2)CCN1CCn1ccc([N+](=O)[O-])n1 ZINC000887132942 708966883 /nfs/dbraw/zinc/96/68/83/708966883.db2.gz QKDXHCCECYBBLD-CYBMUJFWSA-N 1 0 316.365 1.397 20 5 DDBDRO C[C@@H]1CN(c2cc[nH+]cc2)CCN1CCn1cc([N+](=O)[O-])cn1 ZINC000887133238 708967622 /nfs/dbraw/zinc/96/76/22/708967622.db2.gz XDJCKMGCRCAVMG-CYBMUJFWSA-N 1 0 316.365 1.397 20 5 DDBDRO C[NH+]1CCC(NCc2cn(-c3cccc([N+](=O)[O-])c3)nn2)CC1 ZINC000899681616 709146798 /nfs/dbraw/zinc/14/67/98/709146798.db2.gz BMYCCUNUJNWWPQ-UHFFFAOYSA-N 1 0 316.365 1.359 20 5 DDBDRO CC(C)COC[C@H](O)C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000912762192 713087556 /nfs/dbraw/zinc/08/75/56/713087556.db2.gz KNMBLPPZVKYNGZ-HUUCEWRRSA-N 1 0 312.366 1.251 20 5 DDBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912918553 713124106 /nfs/dbraw/zinc/12/41/06/713124106.db2.gz FTYMVPNCXLFSQP-CYBMUJFWSA-N 1 0 319.361 1.670 20 5 DDBDRO CN(CC(C)(C)C[NH+](C)C)C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000890879953 710018993 /nfs/dbraw/zinc/01/89/93/710018993.db2.gz LJAFVCJWDZWKCL-AWEZNQCLSA-N 1 0 323.393 1.674 20 5 DDBDRO Cn1c(C(=O)N2C[C@]3(C)C[NH+](C)C[C@@]3(C)C2)ccc1[N+](=O)[O-] ZINC000913293496 713193505 /nfs/dbraw/zinc/19/35/05/713193505.db2.gz PEGOJRBIOAGYNB-GJZGRUSLSA-N 1 0 306.366 1.347 20 5 DDBDRO C[C@@H]1[C@H](NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CC[N@@H+]1C ZINC000928459993 713206130 /nfs/dbraw/zinc/20/61/30/713206130.db2.gz YYGSZSDOSAXUHI-ZWNOBZJWSA-N 1 0 317.349 1.153 20 5 DDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000902806552 710907529 /nfs/dbraw/zinc/90/75/29/710907529.db2.gz LXOYNBGDWASQGO-GJZGRUSLSA-N 1 0 306.366 1.347 20 5 DDBDRO CN(C(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000911693189 710933982 /nfs/dbraw/zinc/93/39/82/710933982.db2.gz FQHVGHZIEPAGMA-CABCVRRESA-N 1 0 303.362 1.909 20 5 DDBDRO CN(C)c1cc[nH+]c(CNC(=O)c2cc([N+](=O)[O-])cn2C)c1 ZINC000902880785 710942675 /nfs/dbraw/zinc/94/26/75/710942675.db2.gz CHDGISIVDVFZMA-UHFFFAOYSA-N 1 0 303.322 1.324 20 5 DDBDRO C[NH2+]C[C@H]1CCN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000911773608 710977424 /nfs/dbraw/zinc/97/74/24/710977424.db2.gz DRUIDLIPLCXWKP-LLVKDONJSA-N 1 0 309.341 1.734 20 5 DDBDRO COc1cc([C@H](C)[NH2+]CCN2CCO[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000903090393 711029071 /nfs/dbraw/zinc/02/90/71/711029071.db2.gz ABFQZIFQZAACOO-OLZOCXBDSA-N 1 0 323.393 1.975 20 5 DDBDRO Cn1cc(CN2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)c([N+](=O)[O-])n1 ZINC000903541335 711179871 /nfs/dbraw/zinc/17/98/71/711179871.db2.gz KZFUYALKEJWPLG-IUCAKERBSA-N 1 0 307.276 1.040 20 5 DDBDRO C[NH2+]CCN(C(C)C)S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000903589784 711212890 /nfs/dbraw/zinc/21/28/90/711212890.db2.gz YAGYYQUHBYFQJW-UHFFFAOYSA-N 1 0 319.358 1.352 20 5 DDBDRO COCC[C@@H]1C[NH2+]CCN1CCOc1ccccc1[N+](=O)[O-] ZINC000903836853 711297011 /nfs/dbraw/zinc/29/70/11/711297011.db2.gz WIWNJEPDCIHSMC-CYBMUJFWSA-N 1 0 309.366 1.284 20 5 DDBDRO CN1CCN(c2ccc([N+](=O)[O-])cc2C(F)F)C[C@H]1CO ZINC000894881093 711306991 /nfs/dbraw/zinc/30/69/91/711306991.db2.gz IRAHLWBGJMNFCI-JTQLQIEISA-N 1 0 301.293 1.645 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@]12CC[NH2+]C2 ZINC000903862587 711307123 /nfs/dbraw/zinc/30/71/23/711307123.db2.gz ABGYQJQNOYYDSW-MRXNPFEDSA-N 1 0 318.377 1.670 20 5 DDBDRO Cc1ccnc(N2CC[NH+](CCCCCO)CC2)c1[N+](=O)[O-] ZINC000894964439 711341534 /nfs/dbraw/zinc/34/15/34/711341534.db2.gz QKHBBBJGQAQNIY-UHFFFAOYSA-N 1 0 308.382 1.583 20 5 DDBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC000895245596 711463541 /nfs/dbraw/zinc/46/35/41/711463541.db2.gz GOMIIKIAYJDLQL-PWSUYJOCSA-N 1 0 310.402 1.166 20 5 DDBDRO C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000895278833 711475149 /nfs/dbraw/zinc/47/51/49/711475149.db2.gz DGEDRPNKIQSBJV-LLVKDONJSA-N 1 0 316.317 1.934 20 5 DDBDRO CCN1CC[C@@H]1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000895670909 711574187 /nfs/dbraw/zinc/57/41/87/711574187.db2.gz IMTOMDRWTOMXLE-OAHLLOKOSA-N 1 0 319.409 1.642 20 5 DDBDRO O=C1NCC2(CCOCC2)[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000895768545 711600400 /nfs/dbraw/zinc/60/04/00/711600400.db2.gz ILENIPYRRQJWBX-CQSZACIVSA-N 1 0 319.361 1.022 20 5 DDBDRO CC[C@@H](CN1CCOCC1)Nc1c([N+](=O)[O-])c(C)nn1CC ZINC000895802219 711609877 /nfs/dbraw/zinc/60/98/77/711609877.db2.gz PDYGKUTUZGOTKU-LBPRGKRZSA-N 1 0 311.386 1.642 20 5 DDBDRO CO[C@]1(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CCSC1 ZINC000896567527 711754310 /nfs/dbraw/zinc/75/43/10/711754310.db2.gz KCDYZPFONCBNBK-XIVSLSHWSA-N 1 0 312.395 1.607 20 5 DDBDRO COC[C@@H]1C[NH2+]CCN1C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000904406414 711853621 /nfs/dbraw/zinc/85/36/21/711853621.db2.gz SMFCXMMIDFMKLK-LBPRGKRZSA-N 1 0 308.338 1.355 20 5 DDBDRO Cc1ccc(NC(=O)C2CN(C)CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000905032444 711913982 /nfs/dbraw/zinc/91/39/82/711913982.db2.gz LOPUCTPNMDPOTN-UHFFFAOYSA-N 1 0 306.366 1.335 20 5 DDBDRO O=[N+]([O-])CC[NH2+]C[C@@H](CO)Cc1ccc(OC(F)(F)F)cc1 ZINC000905362924 712015845 /nfs/dbraw/zinc/01/58/45/712015845.db2.gz BRIUDYJQQCJQIG-NSHDSACASA-N 1 0 322.283 1.603 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]Cc2cscc2Cl)c1 ZINC000905457268 712043009 /nfs/dbraw/zinc/04/30/09/712043009.db2.gz AAECMLPLQVLRNA-SNVBAGLBSA-N 1 0 316.770 1.657 20 5 DDBDRO CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](C[NH2+]CC[N+](=O)[O-])C1 ZINC000905489764 712053336 /nfs/dbraw/zinc/05/33/36/712053336.db2.gz DPTYLIOXOMICLT-SNVBAGLBSA-N 1 0 323.340 1.745 20 5 DDBDRO C[NH+](C)C1CC(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000908009215 712665254 /nfs/dbraw/zinc/66/52/54/712665254.db2.gz BDMGVFOYZGGJTH-UHFFFAOYSA-N 1 0 307.306 1.146 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3C[N@@H+](C)C[C@H]32)c1C ZINC000908347228 712748210 /nfs/dbraw/zinc/74/82/10/712748210.db2.gz KRPHHXCWHVBQRK-TZMCWYRMSA-N 1 0 303.362 1.988 20 5 DDBDRO COc1cc(C[NH2+][C@H]2COC[C@@H]2C2CC2)c([N+](=O)[O-])cc1O ZINC000914432764 713395101 /nfs/dbraw/zinc/39/51/01/713395101.db2.gz DMKXZBDEWKXPKC-NEPJUHHUSA-N 1 0 308.334 1.824 20 5 DDBDRO COc1ccccc1NC(=O)C1CC[NH+](CC[N+](=O)[O-])CC1 ZINC000929879069 713711802 /nfs/dbraw/zinc/71/18/02/713711802.db2.gz VJABBVXWHFVLJG-UHFFFAOYSA-N 1 0 307.350 1.622 20 5 DDBDRO CC[C@@H](NCC[N+](=O)[O-])c1ccccc1OCC(=O)N(C)C ZINC000930202512 713777155 /nfs/dbraw/zinc/77/71/55/713777155.db2.gz WTNVJOJQWGVIEH-CYBMUJFWSA-N 1 0 309.366 1.471 20 5 DDBDRO O=[N+]([O-])CCN1CCO[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]21 ZINC000930849526 713936911 /nfs/dbraw/zinc/93/69/11/713936911.db2.gz NISJLVXVZGMSAN-CVEARBPZSA-N 1 0 305.378 1.238 20 5 DDBDRO C[C@@H](NC(=O)NCCOCC[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000922145608 713973117 /nfs/dbraw/zinc/97/31/17/713973117.db2.gz ZSEXWRSYUMJVDO-GFCCVEGCSA-N 1 0 324.381 1.533 20 5 DDBDRO COC(=O)COc1ccc(C[NH2+][C@@H]2COC[C@@H]2C)cc1[N+](=O)[O-] ZINC000922641353 714108867 /nfs/dbraw/zinc/10/88/67/714108867.db2.gz GZJLPMVRJXEWND-CMPLNLGQSA-N 1 0 324.333 1.271 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000931721893 714169059 /nfs/dbraw/zinc/16/90/59/714169059.db2.gz WPQWWTOELQBWDM-IMJJTQAJSA-N 1 0 305.378 1.797 20 5 DDBDRO C[C@H](C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)CS(C)(=O)=O ZINC000932179737 714280113 /nfs/dbraw/zinc/28/01/13/714280113.db2.gz LWJBFQCKWVKZOC-GHMZBOCLSA-N 1 0 300.380 1.926 20 5 DDBDRO C[NH2+]C[C@H]1CCCN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000923295235 714300635 /nfs/dbraw/zinc/30/06/35/714300635.db2.gz UBNVRLMHSJMXEB-OLZOCXBDSA-N 1 0 309.366 1.018 20 5 DDBDRO C[C@@H]1CC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000932346792 714314999 /nfs/dbraw/zinc/31/49/99/714314999.db2.gz KUWZHCYPKDBHCG-CHWSQXEVSA-N 1 0 310.350 1.445 20 5 DDBDRO C[C@@H]1CN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H](C)C[NH2+]1 ZINC000923361538 714327521 /nfs/dbraw/zinc/32/75/21/714327521.db2.gz MCGBRDHTVHBLFL-MBNYWOFBSA-N 1 0 309.366 1.017 20 5 DDBDRO CCOC(=O)[C@@H]1CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000932644238 714373666 /nfs/dbraw/zinc/37/36/66/714373666.db2.gz HKPUXNHGSIEVEU-TZMCWYRMSA-N 1 0 308.334 1.513 20 5 DDBDRO CN1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC[N@H+](C)CC1 ZINC000933996582 714718203 /nfs/dbraw/zinc/71/82/03/714718203.db2.gz PXNWHGCECQNGLD-UHFFFAOYSA-N 1 0 322.409 1.153 20 5 DDBDRO O=[N+]([O-])c1cc(CN2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)cs1 ZINC000934258096 714777913 /nfs/dbraw/zinc/77/79/13/714777913.db2.gz PWLFCIIGQNUBOP-CHWSQXEVSA-N 1 0 311.407 1.687 20 5 DDBDRO C[NH+](C)C[C@](C)(O)CNC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000935052680 714964410 /nfs/dbraw/zinc/96/44/10/714964410.db2.gz ODNHCXGRKJLULM-IIAWOOMASA-N 1 0 321.377 1.127 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000935553544 715085740 /nfs/dbraw/zinc/08/57/40/715085740.db2.gz NNBFQHIYIGIYMU-UHFFFAOYSA-N 1 0 309.370 1.042 20 5 DDBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CCC[C@H]([NH+](C)C)C1 ZINC001165040322 721893383 /nfs/dbraw/zinc/89/33/83/721893383.db2.gz VTGXGSILCSJKEL-NSHDSACASA-N 1 0 322.365 1.697 20 5 DDBDRO Cc1ncc(C[NH3+])c(=N)n1-c1ccc([N+](=O)[O-])c2cnccc21 ZINC001167674900 735346154 /nfs/dbraw/zinc/34/61/54/735346154.db2.gz YYTMVWQLQVERJY-UHFFFAOYSA-N 1 0 310.317 1.575 20 5 DDBDRO C[NH2+]Cc1c(C)nn(-c2cc([N+](=O)[O-])c3cc[nH]c3n2)c1C ZINC001167099387 732612655 /nfs/dbraw/zinc/61/26/55/732612655.db2.gz UQRQDTURLNUGKY-UHFFFAOYSA-N 1 0 300.322 1.993 20 5 DDBDRO [NH3+]CCc1nnn(-c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)n1 ZINC001167791442 738631283 /nfs/dbraw/zinc/63/12/83/738631283.db2.gz BHEAVHVXXLFAAW-UHFFFAOYSA-N 1 0 310.317 1.739 20 5 DDBDRO Cc1cc2c(cn1)CN(c1ncc([N+](=O)[O-])c(C3C[NH2+]C3)n1)C2 ZINC001167112975 732675816 /nfs/dbraw/zinc/67/58/16/732675816.db2.gz SZCLCUQHPSFVCV-UHFFFAOYSA-N 1 0 312.333 1.295 20 5 DDBDRO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC001121198265 782404698 /nfs/dbraw/zinc/40/46/98/782404698.db2.gz GKCMRVLRHFYRKH-IHRRRGAJSA-N 1 0 303.362 1.594 20 5 DDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@@H](NC(=O)C2(C)CCC2)C1 ZINC001022552191 734595476 /nfs/dbraw/zinc/59/54/76/734595476.db2.gz BUJNZYCMCVDLCV-PHIMTYICSA-N 1 0 321.381 1.255 20 5 DDBDRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(CCC[N+](=O)[O-])n2C)C1 ZINC001121288400 782442686 /nfs/dbraw/zinc/44/26/86/782442686.db2.gz CYDDJYPFDMKZFX-ZDUSSCGKSA-N 1 0 324.429 1.193 20 5 DDBDRO CC[N@@H+]1CCCN(c2nnc(-c3c[nH]c([N+](=O)[O-])c3)n2C)CC1 ZINC001121373653 782478845 /nfs/dbraw/zinc/47/88/45/782478845.db2.gz LFRUJCFBEZQPSL-UHFFFAOYSA-N 1 0 319.369 1.250 20 5 DDBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)c1cocn1 ZINC001020025659 736981679 /nfs/dbraw/zinc/98/16/79/736981679.db2.gz XFDQWSDKUNLSLG-HAQNSBGRSA-N 1 0 316.317 1.633 20 5 DDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CCCC1 ZINC001029304635 740550229 /nfs/dbraw/zinc/55/02/29/740550229.db2.gz CZLBEVJGSOKNBQ-QKPAOTATSA-N 1 0 321.421 1.907 20 5 DDBDRO COc1c(O)ccc(CN[C@@H]2CC[C@@H]3C[N@H+](C)C[C@H]23)c1[N+](=O)[O-] ZINC001184387307 744031367 /nfs/dbraw/zinc/03/13/67/744031367.db2.gz IVUBZHDSDNQJDB-FRRDWIJNSA-N 1 0 321.377 1.739 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@H]([C@@H]2CCCO2)C2(CO)CCC2)c1 ZINC001195580118 746645809 /nfs/dbraw/zinc/64/58/09/746645809.db2.gz ZXGYBQBHRHSLRT-KBPBESRZSA-N 1 0 324.381 1.091 20 5 DDBDRO Cc1ncc(CN[C@@](C)(CO)c2cccc([N+](=O)[O-])c2)cn1 ZINC001196907726 747005633 /nfs/dbraw/zinc/00/56/33/747005633.db2.gz NBUJEVPDRIVBAJ-HNNXBMFYSA-N 1 0 302.334 1.691 20 5 DDBDRO CNC(=O)N[C@@H]1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC001197748165 747256860 /nfs/dbraw/zinc/25/68/60/747256860.db2.gz FUHOXDCGGBAONO-GFCCVEGCSA-N 1 0 322.365 1.367 20 5 DDBDRO CC[N@H+](CCC(=O)NC)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001198362442 747464736 /nfs/dbraw/zinc/46/47/36/747464736.db2.gz FEJDGXAMZVLHLN-UHFFFAOYSA-N 1 0 322.365 1.381 20 5 DDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(C[NH2+]Cc2nccs2)CC1 ZINC000997770737 751271326 /nfs/dbraw/zinc/27/13/26/751271326.db2.gz YDVIHHRHWSMRKJ-VXGBXAGGSA-N 1 0 324.406 1.137 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CC2CCN(c3ccncn3)CC2)C1 ZINC001168997455 762169959 /nfs/dbraw/zinc/16/99/59/762169959.db2.gz ZMZYGLPZQYAQLC-HUUCEWRRSA-N 1 0 319.409 1.728 20 5 DDBDRO Cc1cc(N2CCC([NH2+][C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)ncn1 ZINC001168999423 762170849 /nfs/dbraw/zinc/17/08/49/762170849.db2.gz SXUOIAJZQJCMCQ-HIFRSBDPSA-N 1 0 319.409 1.789 20 5 DDBDRO COCCOc1cc(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)ncn1 ZINC001168998441 762170904 /nfs/dbraw/zinc/17/09/04/762170904.db2.gz NBXZHCAQIXXIGX-RYUDHWBXSA-N 1 0 310.354 1.037 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C[C@@]2(O)CCOc3ccccc32)C1 ZINC001168986828 762179771 /nfs/dbraw/zinc/17/97/71/762179771.db2.gz ZUJZGKKECMNNDA-WWGRRREGSA-N 1 0 306.362 1.692 20 5 DDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCC(N3CC(F)(F)C3)CC2)C1 ZINC001169034234 762189773 /nfs/dbraw/zinc/18/97/73/762189773.db2.gz GGDLPUMYMQZTFY-YPMHNXCESA-N 1 0 303.353 1.847 20 5 DDBDRO O=[N+]([O-])C[C@H]1CC[C@@H](N(c2cnccn2)C2CC[NH2+]CC2)C1 ZINC001169042148 762195544 /nfs/dbraw/zinc/19/55/44/762195544.db2.gz DENVFXDJJFDKFW-GXTWGEPZSA-N 1 0 305.382 1.480 20 5 DDBDRO CCOC[C@@H]1C[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)Cc2c1cnn2C ZINC001169019488 762199925 /nfs/dbraw/zinc/19/99/25/762199925.db2.gz ISKAINDYZWOEGU-HZSPNIEDSA-N 1 0 322.409 1.801 20 5 DDBDRO O=C(N1CCCC1)C12CC(C1)C[N@H+]2[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169026251 762203174 /nfs/dbraw/zinc/20/31/74/762203174.db2.gz WOEASBNNHKOJIK-PGOFDVKTSA-N 1 0 307.394 1.519 20 5 DDBDRO CCOC(=O)C1(F)CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169026392 762203456 /nfs/dbraw/zinc/20/34/56/762203456.db2.gz LOXNQPPFMYWWNG-NWDGAFQWSA-N 1 0 302.346 1.799 20 5 DDBDRO CCC1=NC2(CC[NH+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)C(=O)N1C ZINC001169053542 762208115 /nfs/dbraw/zinc/20/81/15/762208115.db2.gz IKTLOEJHAYPBIU-OLZOCXBDSA-N 1 0 322.409 1.547 20 5 DDBDRO Cc1ncc(CC(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)o1 ZINC001129303652 754250348 /nfs/dbraw/zinc/25/03/48/754250348.db2.gz KFFZJUNHEPUGPU-UHFFFAOYSA-N 1 0 318.333 1.340 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])cc(NC(C)(C)CC[NH+](C)C)n1 ZINC001169715840 762621183 /nfs/dbraw/zinc/62/11/83/762621183.db2.gz KUXBCYOSKVEXER-UHFFFAOYSA-N 1 0 310.354 1.919 20 5 DDBDRO O=C(COc1cccc([N+](=O)[O-])c1)N1CCC([NH+]2CCC2)CC1 ZINC000827911391 759407665 /nfs/dbraw/zinc/40/76/65/759407665.db2.gz ZUIVSMLSOPMFQH-UHFFFAOYSA-N 1 0 319.361 1.670 20 5 DDBDRO O=C(NC[C@H]1C[C@@H]([NH2+]CCC2CCCC2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001086084214 760945053 /nfs/dbraw/zinc/94/50/53/760945053.db2.gz ICMUPYPDWRBNDT-LXTVHRRPSA-N 1 0 309.410 1.716 20 5 DDBDRO COc1ccc(C[C@H](C)N2CCN(CC[NH3+])CC2)c([N+](=O)[O-])c1 ZINC001170308151 766259365 /nfs/dbraw/zinc/25/93/65/766259365.db2.gz LHYWJDMUBQSMRK-ZDUSSCGKSA-N 1 0 322.409 1.111 20 5 DDBDRO O=C(Cc1cncs1)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001129969920 767083544 /nfs/dbraw/zinc/08/35/44/767083544.db2.gz PYYRONFOWDPKBN-UHFFFAOYSA-N 1 0 320.374 1.500 20 5 DDBDRO Cc1noc(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])c1C ZINC001130068349 767217668 /nfs/dbraw/zinc/21/76/68/767217668.db2.gz LWVSIXSGKUTJKJ-UHFFFAOYSA-N 1 0 318.333 1.719 20 5 DDBDRO CCn1c(CCC[N+](=O)[O-])nnc1N1CC[NH+](CC2CC2)CC1 ZINC001121663946 782617525 /nfs/dbraw/zinc/61/75/25/782617525.db2.gz HKEOYKIDVASPFX-UHFFFAOYSA-N 1 0 322.413 1.039 20 5 DDBDRO Nc1cc([N+](=O)[O-])ccc1C(=O)NCCC[NH+]1CCCCC1 ZINC001135874065 771765200 /nfs/dbraw/zinc/76/52/00/771765200.db2.gz OAAGKLUUKPPMLM-UHFFFAOYSA-N 1 0 306.366 1.783 20 5 DDBDRO COC(=O)c1ncc([N+](=O)[O-])cc1N[C@H]1C[C@H]2CC[N@H+](C1)[C@H]2C ZINC001170981380 772013624 /nfs/dbraw/zinc/01/36/24/772013624.db2.gz XCSORZBTIRPWPT-AXFHLTTASA-N 1 0 320.349 1.671 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(N2CCN(C(=O)CC[NH+](C)C)CC2)c1 ZINC001093193320 774494275 /nfs/dbraw/zinc/49/42/75/774494275.db2.gz ISSYDJKEKAATMN-UHFFFAOYSA-N 1 0 320.393 1.504 20 5 DDBDRO Cc1cc(NCCNC(=O)C2([NH+](C)C)CCC2)ncc1[N+](=O)[O-] ZINC001093926420 775218034 /nfs/dbraw/zinc/21/80/34/775218034.db2.gz ANFITVHPAQNCOO-UHFFFAOYSA-N 1 0 321.381 1.311 20 5 DDBDRO CC[N@H+](C)CCC(=O)NCCCNc1ccc([N+](=O)[O-])cn1 ZINC001094573830 776049546 /nfs/dbraw/zinc/04/95/46/776049546.db2.gz HTGLOVWVCSCNSR-UHFFFAOYSA-N 1 0 309.370 1.250 20 5 DDBDRO O=C1C[C@H]([NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCN1 ZINC001172900555 776914764 /nfs/dbraw/zinc/91/47/64/776914764.db2.gz VRQXPPSEEMCXBI-UONOGXRCSA-N 1 0 303.362 1.710 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+][C@@H]1C=CS(=O)(=O)C1)CC2 ZINC001172899752 776915163 /nfs/dbraw/zinc/91/51/63/776915163.db2.gz PCUYOEZYKVUONR-UONOGXRCSA-N 1 0 322.386 1.743 20 5 DDBDRO O=C1NC[C@H](C[NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)O1 ZINC001172909221 776925536 /nfs/dbraw/zinc/92/55/36/776925536.db2.gz RBLIVRLKEGVZNA-JSGCOSHPSA-N 1 0 305.334 1.540 20 5 DDBDRO CCC[N@H+](C)CCC(=O)N(C)CCNc1ccc([N+](=O)[O-])cn1 ZINC001101712685 777424333 /nfs/dbraw/zinc/42/43/33/777424333.db2.gz HTKDAYISWNFGFA-UHFFFAOYSA-N 1 0 323.397 1.592 20 5 DDBDRO Cc1ccnc(NCCN(C)C(=O)CC[NH+](C)C)c1[N+](=O)[O-] ZINC001101927214 777689552 /nfs/dbraw/zinc/68/95/52/777689552.db2.gz QVUUQRGMPRKNCM-UHFFFAOYSA-N 1 0 309.370 1.120 20 5 DDBDRO C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001178203010 778942227 /nfs/dbraw/zinc/94/22/27/778942227.db2.gz MBNXIUQXRJULPE-JTQLQIEISA-N 1 0 316.321 1.064 20 5 DDBDRO CCOC(=O)[C@H]1C[NH2+]CCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC001118261403 781077760 /nfs/dbraw/zinc/07/77/60/781077760.db2.gz UAGXPASIUGKCLJ-CYBMUJFWSA-N 1 0 311.313 1.071 20 5 DDBDRO CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[NH+](CCCCCF)CC1 ZINC001270225648 842401154 /nfs/dbraw/zinc/40/11/54/842401154.db2.gz LRIAMVMNIYQHDM-CHWSQXEVSA-N 1 0 315.389 1.762 20 5 DDBDRO COCCCC(=O)NCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001155045162 861674244 /nfs/dbraw/zinc/67/42/44/861674244.db2.gz TXIYEMAFGGOTDL-UHFFFAOYSA-N 1 0 315.395 1.679 20 5 DDBDRO O=[N+]([O-])c1cnc(Cl)nc1NC[C@@]1(F)CCCC[NH2+]C1 ZINC001155115754 861749216 /nfs/dbraw/zinc/74/92/16/861749216.db2.gz UKDYEYPRLYKOGG-LLVKDONJSA-N 1 0 303.725 1.932 20 5 DDBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC001155402766 862047380 /nfs/dbraw/zinc/04/73/80/862047380.db2.gz FRYGXBYSNUNQPA-SWLSCSKDSA-N 1 0 320.349 1.863 20 5 DDBDRO O=C1C[C@@H]2[NH2+]CC[C@@]2(Nc2ccc3ccc([N+](=O)[O-])cc3n2)N1 ZINC001155572789 862242260 /nfs/dbraw/zinc/24/22/60/862242260.db2.gz XWHMTOHTORLMDW-SWLSCSKDSA-N 1 0 313.317 1.133 20 5 DDBDRO O=[N+]([O-])c1cccc(-n2c3ccccc3nc2N2CC[NH2+]CC2)n1 ZINC001155578357 862248003 /nfs/dbraw/zinc/24/80/03/862248003.db2.gz KIPDBGKZTBYHHX-UHFFFAOYSA-N 1 0 324.344 1.738 20 5 DDBDRO O=[N+]([O-])c1ccc2ncnc(N[C@H]3C[NH2+][C@@H]4CCO[C@@H]43)c2c1 ZINC001155637631 862323964 /nfs/dbraw/zinc/32/39/64/862323964.db2.gz YFUXTAMXJRKCHF-AGIUHOORSA-N 1 0 301.306 1.079 20 5 DDBDRO Cc1nc(NCC2([NH+](C)C)CCN(C)CC2)ccc1[N+](=O)[O-] ZINC001156176392 862777563 /nfs/dbraw/zinc/77/75/63/862777563.db2.gz LQRYZHHQEMYXKL-UHFFFAOYSA-N 1 0 307.398 1.736 20 5 DDBDRO C[C@H](CNC(=O)NCCC[NH+](C)C)c1ccccc1[N+](=O)[O-] ZINC001121805447 858601177 /nfs/dbraw/zinc/60/11/77/858601177.db2.gz DUSCFSGJFWZGLW-GFCCVEGCSA-N 1 0 308.382 1.949 20 5 DDBDRO C[NH2+]C[C@@H](O)[C@@H](C)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001122038570 858669842 /nfs/dbraw/zinc/66/98/42/858669842.db2.gz MIKIXSKKTGZWIF-IAQYHMDHSA-N 1 0 321.377 1.302 20 5 DDBDRO COc1ccc(CC(=O)N2CC[C@@H](C[NH3+])[C@H](C)C2)cc1[N+](=O)[O-] ZINC001122209574 858714295 /nfs/dbraw/zinc/71/42/95/858714295.db2.gz GTEWGAGETKVUEH-YPMHNXCESA-N 1 0 321.377 1.589 20 5 DDBDRO C[C@H](NC(=O)COC1CC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1 ZINC001122252458 858726076 /nfs/dbraw/zinc/72/60/76/858726076.db2.gz RXXLZYQIYLVWQT-NSHDSACASA-N 1 0 307.350 1.541 20 5 DDBDRO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CC[C@@H]1C[NH3+] ZINC001122296417 858741424 /nfs/dbraw/zinc/74/14/24/858741424.db2.gz SRIDCQUCLFAJFR-NWDGAFQWSA-N 1 0 320.393 1.718 20 5 DDBDRO CCOc1ccc(C(=O)N[C@@H]2C[NH2+]CC2(C)C)cc1[N+](=O)[O-] ZINC001122365433 858778166 /nfs/dbraw/zinc/77/81/66/858778166.db2.gz YLGGNDJMCOXKDH-CYBMUJFWSA-N 1 0 307.350 1.721 20 5 DDBDRO C[C@H](COC(=O)/C=C/c1ccc(OCC[NH+](C)C)cc1)[N+](=O)[O-] ZINC001122950232 859022808 /nfs/dbraw/zinc/02/28/08/859022808.db2.gz HEIYMZPVBRZGSY-YSKGHYERSA-N 1 0 322.361 1.849 20 5 DDBDRO Cc1cnn(CC(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])c1 ZINC001124287430 859668189 /nfs/dbraw/zinc/66/81/89/859668189.db2.gz AWJKJOZSPQMUPE-UHFFFAOYSA-N 1 0 317.349 1.006 20 5 DDBDRO [NH3+][C@@H]1CCCC[C@H]1C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC001325854959 860889090 /nfs/dbraw/zinc/88/90/90/860889090.db2.gz APUFUQDGOXQLGQ-CHWSQXEVSA-N 1 0 321.381 1.472 20 5 DDBDRO CSCC(=O)NCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001154424543 861088701 /nfs/dbraw/zinc/08/87/01/861088701.db2.gz FXOMMSMKDOMBLI-UHFFFAOYSA-N 1 0 303.409 1.615 20 5 DDBDRO CC(C)Oc1nc(-n2ccc(C[NH3+])cc2=N)ccc1[N+](=O)[O-] ZINC001156852935 863396891 /nfs/dbraw/zinc/39/68/91/863396891.db2.gz KHLMYFWDYBWYSL-UHFFFAOYSA-N 1 0 303.322 1.506 20 5 DDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC001157621053 863980709 /nfs/dbraw/zinc/98/07/09/863980709.db2.gz UIFPXGPEYQBEJQ-BZNIZROVSA-N 1 0 318.377 1.660 20 5 DDBDRO Cc1cc(C[NH2+]CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c(C)s1 ZINC001157775227 864128443 /nfs/dbraw/zinc/12/84/43/864128443.db2.gz LPDHDLGJYAEACT-CHWSQXEVSA-N 1 0 311.407 1.626 20 5 DDBDRO CCc1ccc(CC[NH2+]CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC001157775281 864131706 /nfs/dbraw/zinc/13/17/06/864131706.db2.gz NMQBOGBJFBNCBG-HZPDHXFCSA-N 1 0 319.405 1.553 20 5 DDBDRO C[NH+]1CC2(CN(c3cc([N+](=O)[O-])cc4c(Cl)ncnc43)C2)C1 ZINC001158867920 864948220 /nfs/dbraw/zinc/94/82/20/864948220.db2.gz BMRKVHSJAATMGS-UHFFFAOYSA-N 1 0 319.752 1.943 20 5 DDBDRO [NH3+]Cc1ccc2nnn(-c3cc([N+](=O)[O-])c4cc[nH]c4n3)c2c1 ZINC001159028823 865056182 /nfs/dbraw/zinc/05/61/82/865056182.db2.gz IWVCADMEGWDWSY-UHFFFAOYSA-N 1 0 309.289 1.664 20 5 DDBDRO O=[N+]([O-])c1ccccc1-c1ccc(NC[C@@H]2COCC[NH2+]2)nn1 ZINC001159046445 865072244 /nfs/dbraw/zinc/07/22/44/865072244.db2.gz JJTGUWPUARTBIP-LLVKDONJSA-N 1 0 315.333 1.452 20 5 DDBDRO Cc1ccnc(NC[C@H]2O[C@H](C(C)C)O[C@@H]2C[NH3+])c1[N+](=O)[O-] ZINC001159238000 865178435 /nfs/dbraw/zinc/17/84/35/865178435.db2.gz GOHDHKIPJALFNX-JTNHKYCSSA-N 1 0 310.354 1.435 20 5 DDBDRO Cc1c(CC[NH3+])c(=O)[nH]n1-c1ncnc2cc([N+](=O)[O-])ccc21 ZINC001159293532 865208087 /nfs/dbraw/zinc/20/80/87/865208087.db2.gz KNEVKTBNAAJVSO-UHFFFAOYSA-N 1 0 314.305 1.239 20 5 DDBDRO Cc1c(CC[NH3+])c(=O)[nH]n1-c1ncnc2cccc([N+](=O)[O-])c21 ZINC001159302947 865216254 /nfs/dbraw/zinc/21/62/54/865216254.db2.gz VFAPPQCJUBXHKI-UHFFFAOYSA-N 1 0 314.305 1.239 20 5 DDBDRO Cc1nc(N2c3ccccc3OC[C@H]2C[NH3+])ncc1[N+](=O)[O-] ZINC001160206420 865727907 /nfs/dbraw/zinc/72/79/07/865727907.db2.gz MQPAYXPEYXZFPI-SNVBAGLBSA-N 1 0 301.306 1.551 20 5 DDBDRO C[NH+]1CCC2(CC[C@@H](COc3[nH]ccc(=O)c3[N+](=O)[O-])O2)CC1 ZINC001225659994 881962167 /nfs/dbraw/zinc/96/21/67/881962167.db2.gz BBWTZHLCPYXBHN-NSHDSACASA-N 1 0 323.349 1.718 20 5 DDBDRO COc1cc(NCCCN2CC[NH+](C)CC2)cnc1[N+](=O)[O-] ZINC001161709700 866921840 /nfs/dbraw/zinc/92/18/40/866921840.db2.gz FNTIJBAONRFYJQ-UHFFFAOYSA-N 1 0 309.370 1.048 20 5 DDBDRO CCOC(=O)c1ccc(NC[C@@H]2C[C@H](F)C[NH2+]2)c([N+](=O)[O-])c1 ZINC001162477878 867563125 /nfs/dbraw/zinc/56/31/25/867563125.db2.gz QHNRMFIYXHWBFC-QWRGUYRKSA-N 1 0 311.313 1.883 20 5 DDBDRO [NH3+]Cc1cccc(-c2cncn2-c2cc([N+](=O)[O-])cc[n+]2[O-])c1 ZINC001162562091 867641804 /nfs/dbraw/zinc/64/18/04/867641804.db2.gz KHPNTCFKTDVZDR-UHFFFAOYSA-N 1 0 311.301 1.540 20 5 DDBDRO O=C(NCC[NH+]1CC=CC1)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001334609218 867706843 /nfs/dbraw/zinc/70/68/43/867706843.db2.gz XQPKVRWJKOIXNC-HUUCEWRRSA-N 1 0 301.346 1.686 20 5 DDBDRO Cn1cc(N2C[C@@H]([NH3+])Cc3ccccc32)cc([N+](=O)[O-])c1=O ZINC001162847517 867863178 /nfs/dbraw/zinc/86/31/78/867863178.db2.gz RVSRTJATNNRHHF-NSHDSACASA-N 1 0 300.318 1.315 20 5 DDBDRO Nc1nc(=O)c2ccccc2n1-c1cc2c(cc1[N+](=O)[O-])C[NH2+]C2 ZINC001162897095 867908863 /nfs/dbraw/zinc/90/88/63/867908863.db2.gz VNDGANDZIFDPMV-UHFFFAOYSA-N 1 0 323.312 1.722 20 5 DDBDRO COc1ccc(NCC[C@H]2CCOC23C[NH2+]C3)nc1[N+](=O)[O-] ZINC001163082966 868071541 /nfs/dbraw/zinc/07/15/41/868071541.db2.gz WOTYRKRFUVMFRW-JTQLQIEISA-N 1 0 308.338 1.179 20 5 DDBDRO CN(C)[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC001335431587 868291283 /nfs/dbraw/zinc/29/12/83/868291283.db2.gz OQDMOFCAUJIDGA-BFHYXJOUSA-N 1 0 323.393 1.407 20 5 DDBDRO CC[C@H]1COCCN1CC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001335458049 868314187 /nfs/dbraw/zinc/31/41/87/868314187.db2.gz PPBNGXJHAHBSBH-GOEBONIOSA-N 1 0 323.393 1.329 20 5 DDBDRO CC[NH+](CC)C1CCN(c2cc(N)c([N+](=O)[O-])c(CO)c2)CC1 ZINC001322672592 868316319 /nfs/dbraw/zinc/31/63/19/868316319.db2.gz YFRXSFBOCIFMTB-UHFFFAOYSA-N 1 0 322.409 1.980 20 5 DDBDRO CNC(=O)[C@H](CCCC[NH3+])Nc1cc(Cl)ncc1[N+](=O)[O-] ZINC001163439043 868449641 /nfs/dbraw/zinc/44/96/41/868449641.db2.gz STHLUSJAQLOSMQ-QMMMGPOBSA-N 1 0 315.761 1.299 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]Cc2ccns2)c1 ZINC001335897722 868604371 /nfs/dbraw/zinc/60/43/71/868604371.db2.gz MXXXUHAVUZGILI-NSHDSACASA-N 1 0 309.347 1.581 20 5 DDBDRO C[C@](O)(C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC001336699025 869098328 /nfs/dbraw/zinc/09/83/28/869098328.db2.gz JATJWZZRZYIOIN-QWRGUYRKSA-N 1 0 308.256 1.531 20 5 DDBDRO COc1c(O)ccc(CN2CC[C@H]3C[N@H+](C)C[C@H]32)c1[N+](=O)[O-] ZINC001336813277 869159573 /nfs/dbraw/zinc/15/95/73/869159573.db2.gz PMLCHDQIIZKRHG-CMPLNLGQSA-N 1 0 307.350 1.445 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]Cc2cc3n(n2)CCCC3)c1 ZINC001336847045 869180041 /nfs/dbraw/zinc/18/00/41/869180041.db2.gz BQVPKYMVAWIRKS-INIZCTEOSA-N 1 0 316.361 1.951 20 5 DDBDRO C[C@@H](NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)c1ccc([N+](=O)[O-])cc1 ZINC001336978383 869242625 /nfs/dbraw/zinc/24/26/25/869242625.db2.gz RRRBXSXGZGKIEL-QKCSRTOESA-N 1 0 304.350 1.659 20 5 DDBDRO COC(=O)Cc1ccc(O[C@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC001226213699 882283076 /nfs/dbraw/zinc/28/30/76/882283076.db2.gz FTWKUEIRTOLYTK-LBPRGKRZSA-N 1 0 308.334 1.783 20 5 DDBDRO c1cnc2c(c1)ccc1ccc(N3CCOCC34C[NH2+]C4)nc12 ZINC001165288058 869497675 /nfs/dbraw/zinc/49/76/75/869497675.db2.gz XSIJNBSEWNTCTL-UHFFFAOYSA-N 1 0 306.369 1.962 20 5 DDBDRO COc1nc(N2CCCC[C@@H]2C2CC[NH2+]CC2)ncc1[N+](=O)[O-] ZINC001165320726 869516488 /nfs/dbraw/zinc/51/64/88/869516488.db2.gz SFUPTEDBWVHPGF-GFCCVEGCSA-N 1 0 321.381 1.752 20 5 DDBDRO C[C@@H]1CCCN(c2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])[C@@H]1C ZINC001166612056 870096403 /nfs/dbraw/zinc/09/64/03/870096403.db2.gz UXJKFXAYXYTPCM-VXGBXAGGSA-N 1 0 320.397 1.419 20 5 DDBDRO O=[N+]([O-])c1cccc(-n2ncc3cc(N4CC[NH2+]CC4)ccc32)n1 ZINC001167018019 870477110 /nfs/dbraw/zinc/47/71/10/870477110.db2.gz CJVMZZLHYGXIDS-UHFFFAOYSA-N 1 0 324.344 1.738 20 5 DDBDRO CCn1c([C@@H](C)[N+](=O)[O-])nnc1N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC001340124499 870906227 /nfs/dbraw/zinc/90/62/27/870906227.db2.gz TXWUGSXWXVWOAL-VXGBXAGGSA-N 1 0 310.402 1.412 20 5 DDBDRO C[C@H]1CC[C@@H](NC(=O)CCc2cc(F)ccc2[N+](=O)[O-])C[NH2+]1 ZINC001340716687 871304732 /nfs/dbraw/zinc/30/47/32/871304732.db2.gz DVZPWGOBLDVEAH-GXFFZTMASA-N 1 0 309.341 1.923 20 5 DDBDRO CCn1c([C@H](C)[N+](=O)[O-])nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC001340878740 871405543 /nfs/dbraw/zinc/40/55/43/871405543.db2.gz QWFPXWOTZZRKTA-QWHCGFSZSA-N 1 0 324.429 1.804 20 5 DDBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001340927939 871429942 /nfs/dbraw/zinc/42/99/42/871429942.db2.gz DSNFQIMCTVAPRL-MXAVVETBSA-N 1 0 321.352 1.857 20 5 DDBDRO CO[C@@H](C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1CCOC1 ZINC001308723288 871519464 /nfs/dbraw/zinc/51/94/64/871519464.db2.gz PMDXOPIEXCNYEM-YGRLFVJLSA-N 1 0 320.349 1.612 20 5 DDBDRO C[C@H](c1nnc(N2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)n1C)[N+](=O)[O-] ZINC001341358305 871620220 /nfs/dbraw/zinc/62/02/20/871620220.db2.gz FWPRVXHQVVBMAA-VOAKCMCISA-N 1 0 322.413 1.319 20 5 DDBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001341477795 871674208 /nfs/dbraw/zinc/67/42/08/871674208.db2.gz SBVLELWPCLBBQA-LHRNQBEKSA-N 1 0 319.361 1.181 20 5 DDBDRO O=C([C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC001341799823 871830723 /nfs/dbraw/zinc/83/07/23/871830723.db2.gz WNUHSYYUKZMFFM-UNQGMJICSA-N 1 0 301.346 1.519 20 5 DDBDRO CCN(C(=O)CNc1ccccc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC001342175512 872052248 /nfs/dbraw/zinc/05/22/48/872052248.db2.gz VNQAJNRXBGXWFG-LBPRGKRZSA-N 1 0 306.366 1.607 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2COC3(C[NH2+]C3)C2)c1C ZINC001342214974 872075805 /nfs/dbraw/zinc/07/58/05/872075805.db2.gz IQKVAHHSJBJQJJ-LLVKDONJSA-N 1 0 305.334 1.072 20 5 DDBDRO CO[C@H]1C[NH2+][C@@](C)(C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC001342594121 872286283 /nfs/dbraw/zinc/28/62/83/872286283.db2.gz ZDWLOAWFPFKNLC-PSOPSSQASA-N 1 0 307.350 1.539 20 5 DDBDRO [NH3+][C@@H]1CC[C@H](CNC(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC001342845494 872408676 /nfs/dbraw/zinc/40/86/76/872408676.db2.gz ZSDTUBDIESPQMK-FDEJFUCISA-N 1 0 303.362 1.942 20 5 DDBDRO C[NH2+]C[C@@H]1CCCCN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC001344721429 873092135 /nfs/dbraw/zinc/09/21/35/873092135.db2.gz YILJFESQJGJRSF-LBPRGKRZSA-N 1 0 306.366 1.607 20 5 DDBDRO O=C(COc1cccc([N+](=O)[O-])c1)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001345140379 873269991 /nfs/dbraw/zinc/26/99/91/873269991.db2.gz ZJGZNCWIECGWEQ-MRXNPFEDSA-N 1 0 319.361 1.718 20 5 DDBDRO C[NH+](C)C[C@@]1(O)CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC001347175128 874042729 /nfs/dbraw/zinc/04/27/29/874042729.db2.gz LQIPQDMXSPFAQW-INIZCTEOSA-N 1 0 321.377 1.052 20 5 DDBDRO C[C@@H](c1nnc(N2CC[C@H](C[NH+]3CCCCC3)C2)n1C)[N+](=O)[O-] ZINC001350588386 875772157 /nfs/dbraw/zinc/77/21/57/875772157.db2.gz OCEAOPPPKFXSQC-QWHCGFSZSA-N 1 0 322.413 1.465 20 5 DDBDRO O=C([C@@H]1[C@@H]2CC[NH2+]C[C@@H]21)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001353325913 877256250 /nfs/dbraw/zinc/25/62/50/877256250.db2.gz QOFLAKAUHAKQQV-QLFBSQMISA-N 1 0 301.346 1.335 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H](OC[C@H]1C[C@H]3CC[NH2+]C[C@@H]3O1)C2 ZINC001217788174 877324156 /nfs/dbraw/zinc/32/41/56/877324156.db2.gz GZLJKVMEHCDJPM-ZFVVBOAOSA-N 1 0 318.373 1.846 20 5 DDBDRO C[C@H](NC(=O)C[NH2+]C[C@@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC001354829086 878254296 /nfs/dbraw/zinc/25/42/96/878254296.db2.gz GUZIYXNBJRHGFA-FZMZJTMJSA-N 1 0 307.350 1.541 20 5 DDBDRO CC[C@H](C)[NH+]1CCN(c2nnc([C@H](C)[N+](=O)[O-])n2CC)CC1 ZINC001356351611 879007837 /nfs/dbraw/zinc/00/78/37/879007837.db2.gz NBPRDZSMBHYZFT-RYUDHWBXSA-N 1 0 310.402 1.556 20 5 DDBDRO C[C@H]1C[C@@H](NC(=O)CCc2cc(F)ccc2[N+](=O)[O-])CC[NH2+]1 ZINC001357457702 879975699 /nfs/dbraw/zinc/97/56/99/879975699.db2.gz NZTWRPIGPVXBMS-GWCFXTLKSA-N 1 0 309.341 1.923 20 5 DDBDRO CC[N@@H+]1C[C@H](C)N(c2nnc(C[N+](=O)[O-])n2CC(C)C)C[C@@H]1C ZINC001358057080 880309757 /nfs/dbraw/zinc/30/97/57/880309757.db2.gz HAQALPNFXSKUHY-STQMWFEESA-N 1 0 324.429 1.630 20 5 DDBDRO COc1cc(C(=O)N2CC[C@@H](C[NH3+])[C@H](C)C2)ccc1[N+](=O)[O-] ZINC001358249048 880379850 /nfs/dbraw/zinc/37/98/50/880379850.db2.gz BSWOZCCFWSFYTB-PWSUYJOCSA-N 1 0 307.350 1.660 20 5 DDBDRO C[C@H](OC(=O)C[C@@H](O)C[N+](C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC001223430365 880960478 /nfs/dbraw/zinc/96/04/78/880960478.db2.gz OPZFVQPTJILBLH-SMDDNHRTSA-N 1 0 311.358 1.656 20 5 DDBDRO CC[N@@H+]1CC[C@@H](Oc2n[nH]c(=O)c3cccc([N+](=O)[O-])c32)C1 ZINC001229368139 883949059 /nfs/dbraw/zinc/94/90/59/883949059.db2.gz WYYFWUAQYIARTN-SECBINFHSA-N 1 0 304.306 1.717 20 5 DDBDRO CO[C@@H]1CC[N@H+](CCOc2c([N+](=O)[O-])cccc2[N+](=O)[O-])C1 ZINC001230314046 884427844 /nfs/dbraw/zinc/42/78/44/884427844.db2.gz CTXSULIQRFABJS-SNVBAGLBSA-N 1 0 311.294 1.603 20 5 DDBDRO COC(=O)c1cc(C)c(OC(=O)C[C@@H](O)C[N+](C)(C)C)cc1C ZINC001230529075 884546921 /nfs/dbraw/zinc/54/69/21/884546921.db2.gz WRFMZBXMRHPCFH-CYBMUJFWSA-N 1 0 324.397 1.453 20 5 DDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cc(=O)[nH]c2ccc(F)cc21 ZINC001231394423 885594819 /nfs/dbraw/zinc/59/48/19/885594819.db2.gz TVKPPUAKFXDDAZ-LLVKDONJSA-O 1 0 323.344 1.442 20 5 DDBDRO COc1cccc2nc(OC(=O)C[C@@H](O)C[N+](C)(C)C)ccc21 ZINC001234574851 888112427 /nfs/dbraw/zinc/11/24/27/888112427.db2.gz ZNSSHZFNUSRFGT-GFCCVEGCSA-N 1 0 319.381 1.606 20 5 DDBDRO Cn1cc([N+](=O)[O-])c(C(=O)NC[C@H](C2CCCCC2)[NH+](C)C)n1 ZINC001290627345 913483058 /nfs/dbraw/zinc/48/30/58/913483058.db2.gz HQMDLDHKKTXDGG-GFCCVEGCSA-N 1 0 323.397 1.569 20 5 DDBDRO COc1ccc(C[C@H](C)N[C@@H]2C[NH2+]CC23CC3)c([N+](=O)[O-])c1 ZINC001246136306 892432352 /nfs/dbraw/zinc/43/23/52/892432352.db2.gz WGQKOCHSBURVSX-XHDPSFHLSA-N 1 0 305.378 1.876 20 5 DDBDRO C[NH+]1CCN(c2ccccc2-c2noc(CC[N+](=O)[O-])n2)CC1 ZINC001247522357 893225738 /nfs/dbraw/zinc/22/57/38/893225738.db2.gz XSJSIHKSCFEHGC-UHFFFAOYSA-N 1 0 317.349 1.308 20 5 DDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCO[C@@H](C[NH+](C)C)C1 ZINC001254552449 896498447 /nfs/dbraw/zinc/49/84/47/896498447.db2.gz MDEZVKHMQDVBSU-HIFRSBDPSA-N 1 0 307.394 1.788 20 5 DDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]C[C@H]1CCS(=O)(=O)C1)C2 ZINC001254574628 896507776 /nfs/dbraw/zinc/50/77/76/896507776.db2.gz JJRSKZJLMCXDDR-ZWNOBZJWSA-N 1 0 310.375 1.086 20 5 DDBDRO NC(=O)c1ccc(C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC001254571686 896507977 /nfs/dbraw/zinc/50/79/77/896507977.db2.gz AIKLXSGFULPOFG-OAHLLOKOSA-N 1 0 311.341 1.951 20 5 DDBDRO CCOC(=O)C1(C[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254584271 896515694 /nfs/dbraw/zinc/51/56/94/896515694.db2.gz RFDBDLXXKPUZBP-ZDUSSCGKSA-N 1 0 304.346 1.995 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H](C)[C@@H](O)C1 ZINC000305761235 231042280 /nfs/dbraw/zinc/04/22/80/231042280.db2.gz LIASSDBOXRMLCT-NHYWBVRUSA-N 1 0 321.377 1.935 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1c2ccccc2C[C@H]1C[NH3+] ZINC000422626131 282167742 /nfs/dbraw/zinc/16/77/42/282167742.db2.gz IVRJHHKFWQRGCJ-LBPRGKRZSA-N 1 0 312.329 1.828 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1COCC1(C)C ZINC000451805029 231199101 /nfs/dbraw/zinc/19/91/01/231199101.db2.gz AMDGBOYZIMWPDR-CYBMUJFWSA-N 1 0 307.350 1.856 20 5 DDBDRO CN(C)C(=O)N[C@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000451997254 231263040 /nfs/dbraw/zinc/26/30/40/231263040.db2.gz QZZUIUZCNYGOID-AWEZNQCLSA-N 1 0 320.393 1.873 20 5 DDBDRO CC1(C)CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1CCO ZINC000614894892 362066891 /nfs/dbraw/zinc/06/68/91/362066891.db2.gz LRABOULHZYJKHX-UHFFFAOYSA-N 1 0 321.377 1.052 20 5 DDBDRO C[NH+](C)[C@H]1CCCN(c2c(C(N)=O)cccc2[N+](=O)[O-])CC1 ZINC000420611419 282256498 /nfs/dbraw/zinc/25/64/98/282256498.db2.gz MUMFAZLPKALKMG-NSHDSACASA-N 1 0 306.366 1.614 20 5 DDBDRO CC(C)[N@@H+]1CCCN(C(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000272763720 210167125 /nfs/dbraw/zinc/16/71/25/210167125.db2.gz WBAOFVNKUJJREI-UHFFFAOYSA-N 1 0 307.354 1.938 20 5 DDBDRO C[NH2+]CCCN(C)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000420394294 529964750 /nfs/dbraw/zinc/96/47/50/529964750.db2.gz ZOSAHLAPUSMOCE-UHFFFAOYSA-N 1 0 310.354 1.083 20 5 DDBDRO Cc1nn(CCC(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000330889535 232140379 /nfs/dbraw/zinc/14/03/79/232140379.db2.gz BJXQGIRQTPTWCZ-ZWNOBZJWSA-N 1 0 323.397 1.397 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000235718204 201920981 /nfs/dbraw/zinc/92/09/81/201920981.db2.gz BYYPVWYBTPZERW-QWRGUYRKSA-N 1 0 313.379 1.322 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)NCC[N@H+]2CC=CCC2)c1 ZINC000279946088 215260615 /nfs/dbraw/zinc/26/06/15/215260615.db2.gz HYWYGQWQOOSCGL-UHFFFAOYSA-N 1 0 305.334 1.595 20 5 DDBDRO CO[C@H]1C[C@H]([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)C12CCC2 ZINC000459763589 233503301 /nfs/dbraw/zinc/50/33/01/233503301.db2.gz OHERJIIKKGESTF-STQMWFEESA-N 1 0 307.350 1.304 20 5 DDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(C)CC[NH+](C)C)c1C ZINC000175701128 186189842 /nfs/dbraw/zinc/18/98/42/186189842.db2.gz FQDFUQVWSAHQGY-UHFFFAOYSA-N 1 0 315.395 1.394 20 5 DDBDRO C[C@H]1CSCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181902570 186216783 /nfs/dbraw/zinc/21/67/83/186216783.db2.gz PZPFXNFINAYNEN-RYUDHWBXSA-N 1 0 312.391 1.772 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H](O)C1 ZINC000041886283 352317554 /nfs/dbraw/zinc/31/75/54/352317554.db2.gz YPAKYRCCMLCUDM-ZDUSSCGKSA-N 1 0 307.350 1.689 20 5 DDBDRO COCC[N@H+](C)CCCNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000041951217 352319795 /nfs/dbraw/zinc/31/97/95/352319795.db2.gz LVBMDWDRYWRRRE-UHFFFAOYSA-N 1 0 309.366 1.222 20 5 DDBDRO CC[NH+]1CCN(CCCNC(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000041443589 352308437 /nfs/dbraw/zinc/30/84/37/352308437.db2.gz BTHRCDNKNVOQJP-UHFFFAOYSA-N 1 0 320.393 1.352 20 5 DDBDRO CN1CC[NH+](CC2CCN(c3ncccc3[N+](=O)[O-])CC2)CC1 ZINC000057151564 352801491 /nfs/dbraw/zinc/80/14/91/352801491.db2.gz ZKPNMOKSWGZHBU-UHFFFAOYSA-N 1 0 319.409 1.454 20 5 DDBDRO COCC[N@@H+]1CC[C@H](NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000491564789 234204882 /nfs/dbraw/zinc/20/48/82/234204882.db2.gz ZAIKOVMKVHMVPY-GJBLVYBDSA-N 1 0 319.361 1.445 20 5 DDBDRO O=C(COc1ccccc1[N+](=O)[O-])N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000060567937 352876717 /nfs/dbraw/zinc/87/67/17/352876717.db2.gz DHVZYKURDPKTGB-STQMWFEESA-N 1 0 319.361 1.717 20 5 DDBDRO CCc1ccc(S(=O)(=O)NC[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000564959090 304030096 /nfs/dbraw/zinc/03/00/96/304030096.db2.gz UKUWWYSCRNZFGX-LLVKDONJSA-N 1 0 313.379 1.188 20 5 DDBDRO COc1ccc(OCC[N@H+](C)Cc2cnn(C)c2)c([N+](=O)[O-])c1 ZINC000173456774 198216693 /nfs/dbraw/zinc/21/66/93/198216693.db2.gz QUUWPPBPDQPCLI-UHFFFAOYSA-N 1 0 320.349 1.848 20 5 DDBDRO COc1ccc(CC(=O)NC[C@H](C2CC2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000069388457 353159726 /nfs/dbraw/zinc/15/97/26/353159726.db2.gz SQHPRRPFLQZJBK-CQSZACIVSA-N 1 0 321.377 1.602 20 5 DDBDRO O=C(Cn1ccc([N+](=O)[O-])n1)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000071039296 353190432 /nfs/dbraw/zinc/19/04/32/353190432.db2.gz VDUCAZYBHJVHCA-UHFFFAOYSA-N 1 0 313.277 1.011 20 5 DDBDRO C[C@H](CC[NH+](C)C)NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000073904427 353277371 /nfs/dbraw/zinc/27/73/71/353277371.db2.gz KAEFAQGECBGFNI-GFCCVEGCSA-N 1 0 308.382 1.777 20 5 DDBDRO CC[C@H](CO)[NH+]1CCN(Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000075963331 353388679 /nfs/dbraw/zinc/38/86/79/353388679.db2.gz QJRSLICIXVWTMV-CQSZACIVSA-N 1 0 323.393 1.492 20 5 DDBDRO C[NH+](C)C1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000076962828 353445844 /nfs/dbraw/zinc/44/58/44/353445844.db2.gz GNKDYMARSGVIQY-UHFFFAOYSA-N 1 0 310.329 1.482 20 5 DDBDRO CCOC(=O)c1ccnc(N(C)CC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000077964222 353498236 /nfs/dbraw/zinc/49/82/36/353498236.db2.gz GYUSSPLFGGUIAX-UHFFFAOYSA-N 1 0 322.365 1.699 20 5 DDBDRO C[NH+]1CCC(O)(CNC(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000087421914 353750725 /nfs/dbraw/zinc/75/07/25/353750725.db2.gz IHMAUNTZAVVLFM-UHFFFAOYSA-N 1 0 321.377 1.100 20 5 DDBDRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)[C@H]1C[C@H]1[N+](=O)[O-] ZINC000093064736 353884286 /nfs/dbraw/zinc/88/42/86/353884286.db2.gz SUAKRCKROVPJES-UONOGXRCSA-N 1 0 304.350 1.079 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000277039176 213257525 /nfs/dbraw/zinc/25/75/25/213257525.db2.gz HBIMQNHJZWFVRB-SMDDNHRTSA-N 1 0 319.361 1.770 20 5 DDBDRO [NH3+][C@@H]1CCCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000346081975 283011091 /nfs/dbraw/zinc/01/10/91/283011091.db2.gz PVTXDQULNPQDSJ-LLVKDONJSA-N 1 0 303.322 1.568 20 5 DDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCCc3c2cnn3CCO)cc1 ZINC000320163118 354525333 /nfs/dbraw/zinc/52/53/33/354525333.db2.gz LFGONYODRBEOAV-OAHLLOKOSA-N 1 0 316.361 1.951 20 5 DDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N[C@H]1CC[NH2+]C12CCCC2 ZINC000401469850 354663978 /nfs/dbraw/zinc/66/39/78/354663978.db2.gz HAXNBJQXGAFODS-AWEZNQCLSA-N 1 0 303.362 1.928 20 5 DDBDRO CCO[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)C[C@H]1C[NH3+] ZINC000405327514 354678507 /nfs/dbraw/zinc/67/85/07/354678507.db2.gz DFLGWVOBKCWRCJ-NOZJJQNGSA-N 1 0 311.313 1.170 20 5 DDBDRO CC[NH+](CC)CCNc1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C ZINC000585702027 354829416 /nfs/dbraw/zinc/82/94/16/354829416.db2.gz RJIDRYJPAPTZLR-UHFFFAOYSA-N 1 0 321.381 1.539 20 5 DDBDRO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(c2c([N+](=O)[O-])ncn2C)C1 ZINC000585814384 354852785 /nfs/dbraw/zinc/85/27/85/354852785.db2.gz GNJZBEICCQXTDA-RYUDHWBXSA-N 1 0 309.370 1.018 20 5 DDBDRO C[C@H]1OCC[C@]1(C)[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000494281622 235014061 /nfs/dbraw/zinc/01/40/61/235014061.db2.gz GMFVBMFRWSYBIV-BZNIZROVSA-N 1 0 319.361 1.641 20 5 DDBDRO CNC(=O)CCC[N@H+](C)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589503690 354997737 /nfs/dbraw/zinc/99/77/37/354997737.db2.gz YFXXOFNDXMZPEO-UHFFFAOYSA-N 1 0 323.349 1.339 20 5 DDBDRO COc1ccc(C[NH2+][C@H]2CCn3ccnc3C2)cc1[N+](=O)[O-] ZINC000494405217 235031657 /nfs/dbraw/zinc/03/16/57/235031657.db2.gz MHEJWOKFSGJMIS-LBPRGKRZSA-N 1 0 302.334 1.905 20 5 DDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000332581468 235142656 /nfs/dbraw/zinc/14/26/56/235142656.db2.gz APPNWQPTCLKPJE-STQMWFEESA-N 1 0 303.362 1.893 20 5 DDBDRO CC[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000590655918 355138604 /nfs/dbraw/zinc/13/86/04/355138604.db2.gz MZFNRPSVYUMKFS-DGCLKSJQSA-N 1 0 322.361 1.959 20 5 DDBDRO Cc1cc(S(=O)(=O)NC[C@H]2CCCN2C)c([N+](=O)[O-])s1 ZINC000601319467 358494026 /nfs/dbraw/zinc/49/40/26/358494026.db2.gz AXZIRYGWOHCPEL-SECBINFHSA-N 1 0 319.408 1.337 20 5 DDBDRO O=[N+]([O-])c1cc2c(cc1CN1CCC3(CC[NH2+]3)CC1)OCCO2 ZINC000591562334 355327702 /nfs/dbraw/zinc/32/77/02/355327702.db2.gz CDLINFZRMAGYTA-UHFFFAOYSA-N 1 0 319.361 1.694 20 5 DDBDRO CC[C@@H]1CN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000591304003 355285737 /nfs/dbraw/zinc/28/57/37/355285737.db2.gz JIXSJYMQHDTUEL-ZWNOBZJWSA-N 1 0 320.349 1.119 20 5 DDBDRO C[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000591758696 355378692 /nfs/dbraw/zinc/37/86/92/355378692.db2.gz JGZRDEXNACNLQO-YDHLFZDLSA-N 1 0 324.377 1.882 20 5 DDBDRO Cc1ccc(NCCCNC(=O)[C@]2(C)CCC[NH2+]2)c([N+](=O)[O-])c1 ZINC000591668306 355357541 /nfs/dbraw/zinc/35/75/41/355357541.db2.gz SCSQEZJNFBTQKU-INIZCTEOSA-N 1 0 320.393 1.964 20 5 DDBDRO CCOc1ccc(C(=O)N2CC[NH2+]CC2(C)C)cc1[N+](=O)[O-] ZINC000591677834 355360427 /nfs/dbraw/zinc/36/04/27/355360427.db2.gz GKAVWIWTMNETMC-UHFFFAOYSA-N 1 0 307.350 1.818 20 5 DDBDRO COc1cc(C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)cc([N+](=O)[O-])c1C ZINC000591686211 355362219 /nfs/dbraw/zinc/36/22/19/355362219.db2.gz SXBQYDKHYSLFIE-QWRGUYRKSA-N 1 0 311.313 1.342 20 5 DDBDRO Cc1c(CC(=O)N[C@@H]2CC23CC[NH2+]CC3)cccc1[N+](=O)[O-] ZINC000591685920 355362457 /nfs/dbraw/zinc/36/24/57/355362457.db2.gz ZCPHGAXBVLXVEO-CQSZACIVSA-N 1 0 303.362 1.704 20 5 DDBDRO COc1c(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000332655732 235249357 /nfs/dbraw/zinc/24/93/57/235249357.db2.gz VPKMKKBQWMATET-LLVKDONJSA-N 1 0 305.334 1.524 20 5 DDBDRO Cc1n[nH]c(C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC000592256414 355548316 /nfs/dbraw/zinc/54/83/16/355548316.db2.gz YYVKIUTXUBTMKW-NEPJUHHUSA-N 1 0 321.381 1.478 20 5 DDBDRO COc1ccc(CC(=O)NC2CCC([NH3+])CC2)cc1[N+](=O)[O-] ZINC000592292716 355554164 /nfs/dbraw/zinc/55/41/64/355554164.db2.gz XWBRRADTXLCMNC-UHFFFAOYSA-N 1 0 307.350 1.532 20 5 DDBDRO CC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2OC)CC[C@@H]1[NH3+] ZINC000592331043 355560446 /nfs/dbraw/zinc/56/04/46/355560446.db2.gz HHGZJHALSYJHRJ-GWCFXTLKSA-N 1 0 307.350 1.803 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@@H]1CC[C@@H](O)C1 ZINC000592431398 355582063 /nfs/dbraw/zinc/58/20/63/355582063.db2.gz LRDICTDUITYCHP-JHJVBQTASA-N 1 0 310.350 1.085 20 5 DDBDRO C[C@@H]1C[C@H]([NH3+])CCN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000565157960 304047436 /nfs/dbraw/zinc/04/74/36/304047436.db2.gz RHOHQERMQIUALE-VXGBXAGGSA-N 1 0 306.366 1.369 20 5 DDBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@H]1CCC[NH2+]CC1 ZINC000592544556 355622387 /nfs/dbraw/zinc/62/23/87/355622387.db2.gz QZPXFVKHVKRYOH-NSHDSACASA-N 1 0 309.391 1.945 20 5 DDBDRO C[C@H]([NH3+])CNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000592547241 355623288 /nfs/dbraw/zinc/62/32/88/355623288.db2.gz USZLNCSEHUFRJV-ZETCQYMHSA-N 1 0 303.771 1.804 20 5 DDBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000592568773 355632801 /nfs/dbraw/zinc/63/28/01/355632801.db2.gz YUSOMNBLHBVKAN-WDEREUQCSA-N 1 0 317.349 1.636 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(CN2C[C@@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000593018888 355771275 /nfs/dbraw/zinc/77/12/75/355771275.db2.gz BRLLJQBFZKGJGX-NEPJUHHUSA-N 1 0 321.377 1.906 20 5 DDBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@H](CO)C(C)(C)C)c1 ZINC000593023548 355772403 /nfs/dbraw/zinc/77/24/03/355772403.db2.gz UZMQWQAPTBFEBT-CYBMUJFWSA-N 1 0 310.350 1.878 20 5 DDBDRO CC[C@@H]1C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H](CC)CO1 ZINC000593060281 355783711 /nfs/dbraw/zinc/78/37/11/355783711.db2.gz ZYKUJZVPGOESJM-FPMFFAJLSA-N 1 0 312.370 1.042 20 5 DDBDRO C[C@@H]1[C@H](C)N(C(=O)COc2ccccc2[N+](=O)[O-])[C@@H](C)C[N@@H+]1C ZINC000593187720 355819800 /nfs/dbraw/zinc/81/98/00/355819800.db2.gz OIVRHKYZESLSSV-XQQFMLRXSA-N 1 0 321.377 1.913 20 5 DDBDRO C[C@@H]1C[C@H](NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000593485967 355900109 /nfs/dbraw/zinc/90/01/09/355900109.db2.gz DRZSJBMUUCYXHG-ZWNOBZJWSA-N 1 0 309.341 1.875 20 5 DDBDRO COCCN1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C(C)(C)C1 ZINC000593876828 356036104 /nfs/dbraw/zinc/03/61/04/356036104.db2.gz VDDNRVUUSVTUIV-UHFFFAOYSA-N 1 0 310.354 1.106 20 5 DDBDRO O=C([C@H]1CCC[NH2+]CC1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000593906519 356052215 /nfs/dbraw/zinc/05/22/15/356052215.db2.gz INPZWMFFEPYJKG-NSHDSACASA-N 1 0 304.350 1.264 20 5 DDBDRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 ZINC000593911222 356055528 /nfs/dbraw/zinc/05/55/28/356055528.db2.gz FZBRLNLJIJWSSF-WZRBSPASSA-N 1 0 322.365 1.281 20 5 DDBDRO CCO[C@@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000593916198 356057690 /nfs/dbraw/zinc/05/76/90/356057690.db2.gz HAIMMNFHRAMEJE-UKRRQHHQSA-N 1 0 321.377 1.350 20 5 DDBDRO COCC[N@H+](C)C[C@@H](O)CN[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000593969920 356077017 /nfs/dbraw/zinc/07/70/17/356077017.db2.gz GNYIHCASRJFJJM-OLZOCXBDSA-N 1 0 311.382 1.185 20 5 DDBDRO O=[N+]([O-])c1cc(F)c(CN2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c(F)c1 ZINC000594025462 356093121 /nfs/dbraw/zinc/09/31/21/356093121.db2.gz MTBUFQZPENJHTH-WDEREUQCSA-N 1 0 313.304 1.124 20 5 DDBDRO CCOc1cc(CN2CC[N@@H+]3C[C@H](O)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000594026016 356093343 /nfs/dbraw/zinc/09/33/43/356093343.db2.gz XANIQGLDOUENDC-UONOGXRCSA-N 1 0 321.377 1.244 20 5 DDBDRO CC[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CCCCO1 ZINC000594042634 356096728 /nfs/dbraw/zinc/09/67/28/356096728.db2.gz MBFVVZXMMFOONA-KBPBESRZSA-N 1 0 309.366 1.694 20 5 DDBDRO COc1ccc(CNC(=O)[C@H]2C[C@]23CCC[NH2+]C3)cc1[N+](=O)[O-] ZINC000594431975 356210934 /nfs/dbraw/zinc/21/09/34/356210934.db2.gz UHIJWFXFAPKDOU-WBMJQRKESA-N 1 0 319.361 1.609 20 5 DDBDRO CCc1n[nH]c(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000594418562 356203702 /nfs/dbraw/zinc/20/37/02/356203702.db2.gz KDZXQNSEIRHDJO-NEPJUHHUSA-N 1 0 321.381 1.627 20 5 DDBDRO [NH3+]C[C@@H](NCc1cc2c(cc1[N+](=O)[O-])OCCO2)C(F)(F)F ZINC000594583461 356256083 /nfs/dbraw/zinc/25/60/83/356256083.db2.gz NMULVFFZCXSFLR-LLVKDONJSA-N 1 0 321.255 1.345 20 5 DDBDRO CO[C@](C)(CO)CNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000594588666 356257784 /nfs/dbraw/zinc/25/77/84/356257784.db2.gz ICMKPHLSCNAMCU-HNNXBMFYSA-N 1 0 305.334 1.683 20 5 DDBDRO COc1cccc([N+](=O)[O-])c1N[C@H](C)CN1CC[NH+](C)CC1 ZINC000594550063 356248403 /nfs/dbraw/zinc/24/84/03/356248403.db2.gz AAWIASCAFXZTDT-GFCCVEGCSA-N 1 0 308.382 1.651 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H](C)Cn1cncn1 ZINC000595016102 356371995 /nfs/dbraw/zinc/37/19/95/356371995.db2.gz PZTDHZKDOOUUKJ-GHMZBOCLSA-N 1 0 305.338 1.934 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCc1nc(C)n[nH]1 ZINC000595033451 356375143 /nfs/dbraw/zinc/37/51/43/356375143.db2.gz LVXJBAAUKWBULA-VIFPVBQESA-N 1 0 305.338 1.923 20 5 DDBDRO Cn1cc([N+](=O)[O-])c(C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)n1 ZINC000595222489 356411534 /nfs/dbraw/zinc/41/15/34/356411534.db2.gz JNDBUZINWPMVBE-LBPRGKRZSA-N 1 0 321.381 1.180 20 5 DDBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NCC12CC(C1)C[NH2+]2 ZINC000595272386 356428118 /nfs/dbraw/zinc/42/81/18/356428118.db2.gz CUEMPBBLOTYWCA-UHFFFAOYSA-N 1 0 318.377 1.531 20 5 DDBDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000177584740 198748214 /nfs/dbraw/zinc/74/82/14/198748214.db2.gz FBANVWHJCYUWRR-RYUDHWBXSA-N 1 0 309.370 1.170 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C2(CCO)CCCC2)c1 ZINC000595509341 356525570 /nfs/dbraw/zinc/52/55/70/356525570.db2.gz RFTBGZVCRBNNAZ-CQSZACIVSA-N 1 0 324.377 1.619 20 5 DDBDRO O=c1[n-]c([C@H]2CCCN(Cc3ccc(F)cc3[N+](=O)[O-])C2)n[nH]1 ZINC000595496821 356518960 /nfs/dbraw/zinc/51/89/60/356518960.db2.gz IXNVZGKAHUJHOP-JTQLQIEISA-N 1 0 321.312 1.937 20 5 DDBDRO CO[C@@]1(CO)CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000595663747 356599334 /nfs/dbraw/zinc/59/93/34/356599334.db2.gz UGFLRVDOLCYFOS-HNNXBMFYSA-N 1 0 310.350 1.447 20 5 DDBDRO Cc1cc(S(=O)(=O)N2CC[NH2+][C@@H](C)[C@H]2C)c([N+](=O)[O-])s1 ZINC000601342812 358507683 /nfs/dbraw/zinc/50/76/83/358507683.db2.gz GDCMRTJYLAAHLD-DTWKUNHWSA-N 1 0 319.408 1.336 20 5 DDBDRO O=C1CC[C@H]2C[N@H+](CCOc3ccccc3[N+](=O)[O-])CC[C@@H]2N1 ZINC000595737068 356629395 /nfs/dbraw/zinc/62/93/95/356629395.db2.gz GOECIWRFBOWWRU-STQMWFEESA-N 1 0 319.361 1.574 20 5 DDBDRO C[C@H](O)[C@H]1CCC[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000595771471 356645900 /nfs/dbraw/zinc/64/59/00/356645900.db2.gz PKEUKCPIBCBDEC-GXFFZTMASA-N 1 0 318.333 1.990 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H]1C[C@@H](O)C12CCC2 ZINC000595780788 356649859 /nfs/dbraw/zinc/64/98/59/356649859.db2.gz IGENPKFQOMIVSG-UONOGXRCSA-N 1 0 319.361 1.735 20 5 DDBDRO CC[C@H](NC(=O)C[NH2+]C[C@@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000237003341 202118722 /nfs/dbraw/zinc/11/87/22/202118722.db2.gz MJRDSJWCGKLZEL-GJZGRUSLSA-N 1 0 321.377 1.931 20 5 DDBDRO CN(CC(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1[N+](=O)[O-] ZINC000237053965 202135494 /nfs/dbraw/zinc/13/54/94/202135494.db2.gz LCLVEVJYHHWNME-FUNVUKJBSA-N 1 0 318.377 1.430 20 5 DDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]([NH3+])C2CC2)cc1OC ZINC000237050452 202136553 /nfs/dbraw/zinc/13/65/53/202136553.db2.gz IYHSHDCPTIOERV-LLVKDONJSA-N 1 0 323.349 1.469 20 5 DDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H](C)[C@@](C)(CO)C1 ZINC000595880770 356689159 /nfs/dbraw/zinc/68/91/59/356689159.db2.gz ZBVMGICFWAKHGC-XHBSWPGZSA-N 1 0 321.377 1.872 20 5 DDBDRO CN(CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC(C)(C)[NH3+] ZINC000595901416 356698170 /nfs/dbraw/zinc/69/81/70/356698170.db2.gz VKNXVKVHXFVPRU-UHFFFAOYSA-N 1 0 315.395 1.038 20 5 DDBDRO Cc1c(C[NH3+])c(NC(=O)CCc2cccc([N+](=O)[O-])c2)nn1C ZINC000595957927 356722958 /nfs/dbraw/zinc/72/29/58/356722958.db2.gz BHKIXVXXDRQVCV-UHFFFAOYSA-N 1 0 317.349 1.667 20 5 DDBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)C1([NH2+]C2CC2)CCC1 ZINC000595937882 356713078 /nfs/dbraw/zinc/71/30/78/356713078.db2.gz YFLJTKPORULOBE-UHFFFAOYSA-N 1 0 319.361 1.765 20 5 DDBDRO CCCN1CC[C@@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000596066133 356759471 /nfs/dbraw/zinc/75/94/71/356759471.db2.gz PLQUGNHAFRHSRE-HIFRSBDPSA-N 1 0 323.393 1.408 20 5 DDBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CCOCCF)n1 ZINC000596093460 356769537 /nfs/dbraw/zinc/76/95/37/356769537.db2.gz FCVHKUSAYBKTHY-RYUDHWBXSA-N 1 0 300.334 1.851 20 5 DDBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596163184 356797923 /nfs/dbraw/zinc/79/79/23/356797923.db2.gz QDQGZGPQBRBEEW-TVQRCGJNSA-N 1 0 304.350 1.588 20 5 DDBDRO Nc1c(F)c(NC2CC[NH+]([C@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000596518812 356905044 /nfs/dbraw/zinc/90/50/44/356905044.db2.gz FSFVHEAODZEPCE-NSHDSACASA-N 1 0 324.356 1.981 20 5 DDBDRO COc1cc(OCC(=O)N[C@@H]2CCC[C@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000237226704 202197063 /nfs/dbraw/zinc/19/70/63/202197063.db2.gz HWFLDTWBPGNENP-CMPLNLGQSA-N 1 0 323.349 1.226 20 5 DDBDRO C[NH2+]C[C@H](C)N[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000596654363 356942956 /nfs/dbraw/zinc/94/29/56/356942956.db2.gz JSRRNFNREMKFPZ-SMDDNHRTSA-N 1 0 303.366 1.615 20 5 DDBDRO CC(C)(C)n1nnc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])n1 ZINC000597127198 357067507 /nfs/dbraw/zinc/06/75/07/357067507.db2.gz NICPVHRAZFTLLO-UHFFFAOYSA-N 1 0 319.369 1.302 20 5 DDBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCC(O)(CO)CC1 ZINC000597205272 357091858 /nfs/dbraw/zinc/09/18/58/357091858.db2.gz HWWDCIKOUBAQQA-LCYFTJDESA-N 1 0 306.362 1.817 20 5 DDBDRO CN(C)C(=O)CN(CC[NH+](C)C)Cc1cccc([N+](=O)[O-])c1 ZINC000597203888 357091861 /nfs/dbraw/zinc/09/18/61/357091861.db2.gz AIVSEVGERVXCDI-UHFFFAOYSA-N 1 0 308.382 1.047 20 5 DDBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N[C@@H]1CC12CC[NH2+]CC2 ZINC000597440945 357176860 /nfs/dbraw/zinc/17/68/60/357176860.db2.gz PQCOSIUHZQBNRW-CQSZACIVSA-N 1 0 318.377 1.579 20 5 DDBDRO COc1cc(C(=O)N2CC[C@@H]([NH+](C)C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000597700337 357290943 /nfs/dbraw/zinc/29/09/43/357290943.db2.gz MTGLQSPXQZXOIP-CMPLNLGQSA-N 1 0 307.350 1.768 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000597859171 357360788 /nfs/dbraw/zinc/36/07/88/357360788.db2.gz ALARUWBUKGAQJY-JTQLQIEISA-N 1 0 309.370 1.179 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC000598261437 357512605 /nfs/dbraw/zinc/51/26/05/357512605.db2.gz FLKUHBDKOANBOT-LBPRGKRZSA-N 1 0 323.397 1.336 20 5 DDBDRO C[NH2+]C1(CNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CCC1 ZINC000598633386 357663743 /nfs/dbraw/zinc/66/37/43/357663743.db2.gz LJVPLWZUCIEYFO-UHFFFAOYSA-N 1 0 319.408 1.614 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000598680469 357685164 /nfs/dbraw/zinc/68/51/64/357685164.db2.gz CBEGGWVPNGMCKK-MLGOLLRUSA-N 1 0 318.377 1.655 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000598680467 357685260 /nfs/dbraw/zinc/68/52/60/357685260.db2.gz CBEGGWVPNGMCKK-BLLLJJGKSA-N 1 0 318.377 1.655 20 5 DDBDRO O=C(NCCC[C@@H]1CCC[NH2+]1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598915144 357757653 /nfs/dbraw/zinc/75/76/53/357757653.db2.gz IMSVYGAJNRPCQR-NSHDSACASA-N 1 0 320.349 1.182 20 5 DDBDRO COc1ccc(C[NH2+][C@H]2CCN(C3CCC3)C2=O)cc1[N+](=O)[O-] ZINC000599020795 357796378 /nfs/dbraw/zinc/79/63/78/357796378.db2.gz USSRSCPRVNEVKI-ZDUSSCGKSA-N 1 0 319.361 1.846 20 5 DDBDRO CN1CCOC[C@H]1C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000599076030 357808353 /nfs/dbraw/zinc/80/83/53/357808353.db2.gz BOEGFINYKADNFP-CVEARBPZSA-N 1 0 319.405 1.836 20 5 DDBDRO CCN(CC[NH3+])S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C ZINC000599099410 357815262 /nfs/dbraw/zinc/81/52/62/357815262.db2.gz VSSYSKBBVNOOFD-UHFFFAOYSA-N 1 0 301.368 1.181 20 5 DDBDRO COCCC1CC[NH+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000599506787 357958410 /nfs/dbraw/zinc/95/84/10/357958410.db2.gz IDWAVERJPIRHDB-UHFFFAOYSA-N 1 0 321.377 1.942 20 5 DDBDRO COC(=O)C1C[C@H](C)[NH+](CCn2cc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000599688076 358025931 /nfs/dbraw/zinc/02/59/31/358025931.db2.gz HUBGQTLEDXBMQF-QWRGUYRKSA-N 1 0 310.354 1.453 20 5 DDBDRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000599906620 358078161 /nfs/dbraw/zinc/07/81/61/358078161.db2.gz FMJARNJAHAPVCG-QWHCGFSZSA-N 1 0 322.365 1.543 20 5 DDBDRO C[C@@H](NC(=O)NCCOCCC[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000599909281 358078794 /nfs/dbraw/zinc/07/87/94/358078794.db2.gz WWSHZSBHYGSDSU-LLVKDONJSA-N 1 0 310.354 1.320 20 5 DDBDRO Cc1ccc([C@H](C)[NH2+]CCNC(=O)c2ccn[nH]2)cc1[N+](=O)[O-] ZINC000180219496 199132295 /nfs/dbraw/zinc/13/22/95/199132295.db2.gz WZMFYKUJVLDJCQ-NSHDSACASA-N 1 0 317.349 1.707 20 5 DDBDRO C[N@@H+]1CCCC[C@@H](CNC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000600311728 358191988 /nfs/dbraw/zinc/19/19/88/358191988.db2.gz QRPZFZFSNXHGLP-ZDUSSCGKSA-N 1 0 321.377 1.822 20 5 DDBDRO CC(C)NS(=O)(=O)CC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000180477360 199164576 /nfs/dbraw/zinc/16/45/76/199164576.db2.gz JRPJDYDGCUONQZ-LLVKDONJSA-N 1 0 315.395 1.573 20 5 DDBDRO C[C@@H](C[NH3+])CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000237393687 202253641 /nfs/dbraw/zinc/25/36/41/202253641.db2.gz MPNQQEKPAQQVGY-JTQLQIEISA-N 1 0 303.322 1.105 20 5 DDBDRO [NH3+]C[C@@H]1CN(CCn2ccc([N+](=O)[O-])n2)CC[C@@H]1C(F)(F)F ZINC000600724828 358297298 /nfs/dbraw/zinc/29/72/98/358297298.db2.gz IHNHOVYXUBTNRD-ZJUUUORDSA-N 1 0 321.303 1.250 20 5 DDBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN(C)CCOCC[NH3+] ZINC000600736111 358301742 /nfs/dbraw/zinc/30/17/42/358301742.db2.gz QJTHNSSQABHSBJ-UHFFFAOYSA-N 1 0 311.382 1.789 20 5 DDBDRO C[NH+](C)C[C@]1(O)CCCN(c2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000601188197 358439235 /nfs/dbraw/zinc/43/92/35/358439235.db2.gz DCQGUGRRJAMOOE-CYBMUJFWSA-N 1 0 314.773 1.536 20 5 DDBDRO COc1ccc(NC(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-] ZINC000601564213 358602443 /nfs/dbraw/zinc/60/24/43/358602443.db2.gz IYGQUPGOZGRVCS-PHIMTYICSA-N 1 0 306.322 1.572 20 5 DDBDRO O=C(CC[N@@H+]1C[C@@H]2COC[C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000601971438 358759759 /nfs/dbraw/zinc/75/97/59/358759759.db2.gz BBXJUFFQMOSWRM-TXEJJXNPSA-N 1 0 305.334 1.502 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000601974358 358761032 /nfs/dbraw/zinc/76/10/32/358761032.db2.gz IQLDTXCUPXDAOQ-IYBDPMFKSA-N 1 0 319.361 1.675 20 5 DDBDRO Cc1c(CC(=O)N[C@]23CCC[C@@H]2C[NH2+]C3)cccc1[N+](=O)[O-] ZINC000601974091 358761279 /nfs/dbraw/zinc/76/12/79/358761279.db2.gz LKXGOMMHJUBJCH-CJNGLKHVSA-N 1 0 303.362 1.704 20 5 DDBDRO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)COc1cccc([N+](=O)[O-])c1)C2 ZINC000601976133 358761884 /nfs/dbraw/zinc/76/18/84/358761884.db2.gz NILRLWTWSJIVSD-IYBDPMFKSA-N 1 0 319.361 1.432 20 5 DDBDRO CN(CC(=O)N[C@]12CCC[C@@H]1C[NH2+]C2)c1ccccc1[N+](=O)[O-] ZINC000601975516 358762170 /nfs/dbraw/zinc/76/21/70/358762170.db2.gz QCJIBPLXBIKJIH-WBMJQRKESA-N 1 0 318.377 1.289 20 5 DDBDRO C[NH+](C)[C@H]1C[C@@H](NC(=O)Cc2ccccc2[N+](=O)[O-])C1(C)C ZINC000602175435 358865190 /nfs/dbraw/zinc/86/51/90/358865190.db2.gz XVRLUYIJBBHWTL-KGLIPLIRSA-N 1 0 305.378 1.982 20 5 DDBDRO C[N@@H+]1CC[C@H](CC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000602145616 358845536 /nfs/dbraw/zinc/84/55/36/358845536.db2.gz ZSLXXUWNDQUUFC-GFCCVEGCSA-N 1 0 319.361 1.526 20 5 DDBDRO O=C(NC[C@H]1C[NH2+]CCO1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000602511407 359020315 /nfs/dbraw/zinc/02/03/15/359020315.db2.gz RBKZMXOKPQIDPE-CQSZACIVSA-N 1 0 319.361 1.121 20 5 DDBDRO CO[C@H](C[NH2+]CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000602569123 359049016 /nfs/dbraw/zinc/04/90/16/359049016.db2.gz NPJCOKZQRMKQFE-HNNXBMFYSA-N 1 0 304.350 1.639 20 5 DDBDRO COC(=O)c1csc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)c1 ZINC000602571115 359049842 /nfs/dbraw/zinc/04/98/42/359049842.db2.gz YCASSLRKNJYSFJ-UHFFFAOYSA-N 1 0 310.335 1.429 20 5 DDBDRO Cc1cc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)[nH]n1 ZINC000602551242 359040539 /nfs/dbraw/zinc/04/05/39/359040539.db2.gz OTRRUASWDMVGJC-UHFFFAOYSA-N 1 0 316.365 1.780 20 5 DDBDRO CN(CCOCC[NH3+])C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000602560851 359045805 /nfs/dbraw/zinc/04/58/05/359045805.db2.gz VSHUZVISZASLQO-UHFFFAOYSA-N 1 0 309.366 1.306 20 5 DDBDRO CCO[C@@H]1C[C@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)[C@]12CCCO2 ZINC000602568356 359047981 /nfs/dbraw/zinc/04/79/81/359047981.db2.gz KLMJOYZLDQFGLK-BFHYXJOUSA-N 1 0 310.354 1.108 20 5 DDBDRO CO[C@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C1CC1 ZINC000602675587 359119988 /nfs/dbraw/zinc/11/99/88/359119988.db2.gz HNUVXNGXFMHKPK-OAHLLOKOSA-N 1 0 320.393 1.973 20 5 DDBDRO CCC[N@H+](C)C[C@@H]1CCN(CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602777760 359183804 /nfs/dbraw/zinc/18/38/04/359183804.db2.gz LAQUCIKKXCRBTD-AWEZNQCLSA-N 1 0 309.414 1.763 20 5 DDBDRO CC(C)(CC[NH2+]CCc1ccc([N+](=O)[O-])cc1)S(C)(=O)=O ZINC000602690089 359127348 /nfs/dbraw/zinc/12/73/48/359127348.db2.gz LELCAFASPUDOGF-UHFFFAOYSA-N 1 0 314.407 1.940 20 5 DDBDRO C[C@@]12C[NH+](Cc3csc([N+](=O)[O-])c3)C[C@@]1(C)C(=O)NC2=O ZINC000602733717 359155466 /nfs/dbraw/zinc/15/54/66/359155466.db2.gz YJQCFZDDWMOBKZ-STQMWFEESA-N 1 0 309.347 1.141 20 5 DDBDRO CCCNC(=O)[C@@H]1CCC[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602767112 359176427 /nfs/dbraw/zinc/17/64/27/359176427.db2.gz VZCKVANTSDTRQW-CYBMUJFWSA-N 1 0 323.397 1.338 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@]1(CO)CC(C)C ZINC000602817646 359212684 /nfs/dbraw/zinc/21/26/84/359212684.db2.gz UZKLBQSFNGMILN-HNNXBMFYSA-N 1 0 310.398 1.973 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@](CO)(C(C)C)C1 ZINC000602830173 359221932 /nfs/dbraw/zinc/22/19/32/359221932.db2.gz AEEPNBQADHWBHI-HNNXBMFYSA-N 1 0 310.398 1.830 20 5 DDBDRO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3cn(C)nc3[N+](=O)[O-])[C@H]2C1 ZINC000602834196 359224855 /nfs/dbraw/zinc/22/48/55/359224855.db2.gz SURUXXNVFAXXPZ-FPMFFAJLSA-N 1 0 321.381 1.065 20 5 DDBDRO COc1ccc(NC(=O)NCC2([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000602931820 359301741 /nfs/dbraw/zinc/30/17/41/359301741.db2.gz TTZCQKDOZLAGLI-UHFFFAOYSA-N 1 0 308.338 1.819 20 5 DDBDRO O=C(CCOc1ccccc1[N+](=O)[O-])NCC1=CC[NH2+]CC1 ZINC000186267007 199936894 /nfs/dbraw/zinc/93/68/94/199936894.db2.gz ZTFOCQLLGSKGRQ-UHFFFAOYSA-N 1 0 305.334 1.400 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCC(CCF)CC2)c1 ZINC000602948727 359315633 /nfs/dbraw/zinc/31/56/33/359315633.db2.gz DRCNYXFTRFWNFA-CYBMUJFWSA-N 1 0 300.334 1.224 20 5 DDBDRO Cc1cncc([N+](=O)[O-])c1NC(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000602951167 359316530 /nfs/dbraw/zinc/31/65/30/359316530.db2.gz HDVAGLZEFFFSKZ-GFCCVEGCSA-N 1 0 321.381 1.668 20 5 DDBDRO C[C@@]1(CO)C[C@@H](O)C[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000602899320 359281233 /nfs/dbraw/zinc/28/12/33/359281233.db2.gz PNCNHHNHGNOMIP-HIFRSBDPSA-N 1 0 310.350 1.181 20 5 DDBDRO CCn1cc(CC[NH2+][C@@](C)(CO)c2cccc([N+](=O)[O-])c2)cn1 ZINC000602961521 359323893 /nfs/dbraw/zinc/32/38/93/359323893.db2.gz BFHSZXYXTOYNKF-INIZCTEOSA-N 1 0 318.377 1.851 20 5 DDBDRO CCOc1cc(C[N@@H+]2C[C@@H](OC)C[C@]2(C)CO)ccc1[N+](=O)[O-] ZINC000602964946 359328936 /nfs/dbraw/zinc/32/89/36/359328936.db2.gz WNRYUACUJOVMMJ-XJKSGUPXSA-N 1 0 324.377 1.965 20 5 DDBDRO O=[N+]([O-])c1cccc(F)c1Cn1cc(C[C@@H]2CCC[NH2+]C2)nn1 ZINC000603204338 359478635 /nfs/dbraw/zinc/47/86/35/359478635.db2.gz VLSAMTWVXIBTCH-NSHDSACASA-N 1 0 319.340 1.916 20 5 DDBDRO O=[N+]([O-])c1cccc(F)c1Cn1cc(C[C@H]2CCC[NH2+]C2)nn1 ZINC000603204337 359478943 /nfs/dbraw/zinc/47/89/43/359478943.db2.gz VLSAMTWVXIBTCH-LLVKDONJSA-N 1 0 319.340 1.916 20 5 DDBDRO CCCc1n[nH]c(C(=O)N(C)CC[N@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000186751419 200003964 /nfs/dbraw/zinc/00/39/64/200003964.db2.gz WUNRRGQOHNHXPM-UHFFFAOYSA-N 1 0 309.370 1.437 20 5 DDBDRO C[NH+]1CCC(CCNC(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000187573597 200128928 /nfs/dbraw/zinc/12/89/28/200128928.db2.gz UTCWILHMFNHHDX-UHFFFAOYSA-N 1 0 306.366 1.639 20 5 DDBDRO COc1ccc(CN2CC[N@H+](CCO)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000187651909 200139962 /nfs/dbraw/zinc/13/99/62/200139962.db2.gz GXYGCWKPMUPKFI-LBPRGKRZSA-N 1 0 309.366 1.102 20 5 DDBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000187918033 200177039 /nfs/dbraw/zinc/17/70/39/200177039.db2.gz LZGZOTFQSXOAEW-LBPRGKRZSA-N 1 0 320.393 1.981 20 5 DDBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000237541113 202277023 /nfs/dbraw/zinc/27/70/23/202277023.db2.gz JTALIFABBADNAT-QWRGUYRKSA-N 1 0 309.391 1.944 20 5 DDBDRO C[C@H]1CN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)[C@@H](C)C[NH2+]1 ZINC000237558037 202282160 /nfs/dbraw/zinc/28/21/60/202282160.db2.gz YYASXDMHZOJPSF-QWRGUYRKSA-N 1 0 318.377 1.992 20 5 DDBDRO Cc1cc(NC(=O)NCC[N@@H+]2CCCOCC2)ccc1[N+](=O)[O-] ZINC000188627121 200278232 /nfs/dbraw/zinc/27/82/32/200278232.db2.gz OJBMMHXCLNCBGR-UHFFFAOYSA-N 1 0 322.365 1.747 20 5 DDBDRO COCC[N@@H+]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000609269888 360286191 /nfs/dbraw/zinc/28/61/91/360286191.db2.gz YQHFUORAQNLHOR-ZDUSSCGKSA-N 1 0 307.350 1.435 20 5 DDBDRO CC[NH+]1CCN([C@H]2CCN(c3cccnc3[N+](=O)[O-])C2)CC1 ZINC000609288385 360288023 /nfs/dbraw/zinc/28/80/23/360288023.db2.gz PIJPTFZZEHSMPU-ZDUSSCGKSA-N 1 0 305.382 1.206 20 5 DDBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1cc([N+](=O)[O-])cn1C ZINC000610244743 360397139 /nfs/dbraw/zinc/39/71/39/360397139.db2.gz NBXOUQUBMOAVHP-LBPRGKRZSA-N 1 0 308.382 1.880 20 5 DDBDRO COCC1([N@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000611178928 360650089 /nfs/dbraw/zinc/65/00/89/360650089.db2.gz TXBYYQACUQCZKY-ZDUSSCGKSA-N 1 0 310.350 1.445 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000611234903 360671056 /nfs/dbraw/zinc/67/10/56/360671056.db2.gz ZOTVBVJASODMDY-UHFFFAOYSA-N 1 0 313.277 1.161 20 5 DDBDRO CCOc1ccc([C@H](C)[NH2+]CCc2nnnn2C)cc1[N+](=O)[O-] ZINC000611327863 360699835 /nfs/dbraw/zinc/69/98/35/360699835.db2.gz YCHZTOAMGZEALF-JTQLQIEISA-N 1 0 320.353 1.410 20 5 DDBDRO O=[N+]([O-])c1ccc2oc(CN3CCSC[C@@H]3CO)nc2c1 ZINC000612114417 360923878 /nfs/dbraw/zinc/92/38/78/360923878.db2.gz FLCFJRAKJYFGRP-JTQLQIEISA-N 1 0 309.347 1.646 20 5 DDBDRO O=C(CNc1ccccc1[N+](=O)[O-])N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000292845593 223270907 /nfs/dbraw/zinc/27/09/07/223270907.db2.gz CPFJUJWFVYAXTP-NEPJUHHUSA-N 1 0 304.350 1.217 20 5 DDBDRO CCC[NH2+]CCNS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000193345884 201035330 /nfs/dbraw/zinc/03/53/30/201035330.db2.gz RJHCJUUAYZEYJJ-UHFFFAOYSA-N 1 0 315.395 1.490 20 5 DDBDRO Cc1cc(C(=O)N2CCC[C@@](O)(C[NH+](C)C)C2)cc([N+](=O)[O-])c1 ZINC000619574288 364067754 /nfs/dbraw/zinc/06/77/54/364067754.db2.gz NSPSMQIVEXZDNE-MRXNPFEDSA-N 1 0 321.377 1.432 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C1CC(NS(C)(=O)=O)C1 ZINC000619748005 364140863 /nfs/dbraw/zinc/14/08/63/364140863.db2.gz PQVVSMJHHXNVEL-UHFFFAOYSA-N 1 0 313.379 1.073 20 5 DDBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2C[C@@H]3COC[C@H](C2)O3)cc1 ZINC000619784323 364148977 /nfs/dbraw/zinc/14/89/77/364148977.db2.gz SCRMHCKXJNFSDB-GASCZTMLSA-N 1 0 308.334 1.463 20 5 DDBDRO CO[C@H]1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000359209177 299356328 /nfs/dbraw/zinc/35/63/28/299356328.db2.gz IJSZMNMYCBAZSC-GJZGRUSLSA-N 1 0 321.377 1.492 20 5 DDBDRO COc1ccc(NC(=O)CCN(C)[C@@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000566244638 304132736 /nfs/dbraw/zinc/13/27/36/304132736.db2.gz ITNMWFNOMBUHBK-LLVKDONJSA-N 1 0 322.365 1.226 20 5 DDBDRO COc1cc(C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000262487893 203307522 /nfs/dbraw/zinc/30/75/22/203307522.db2.gz KPQUQHJQWQUMRY-NWDGAFQWSA-N 1 0 305.334 1.427 20 5 DDBDRO CN(CC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1[N+](=O)[O-] ZINC000262649857 203364953 /nfs/dbraw/zinc/36/49/53/203364953.db2.gz UOBJNOXEPZSEHA-OLZOCXBDSA-N 1 0 318.377 1.384 20 5 DDBDRO Cc1n[nH]cc1C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000093534884 193266119 /nfs/dbraw/zinc/26/61/19/193266119.db2.gz BWRWCAWEZPUBBM-LBPRGKRZSA-N 1 0 302.338 1.708 20 5 DDBDRO Cc1nn(CCC(=O)N[C@@H]2CC[C@H]([NH+](C)C)C2)c(C)c1[N+](=O)[O-] ZINC000093797001 193309147 /nfs/dbraw/zinc/30/91/47/193309147.db2.gz KWFURGNEKQCUHR-OLZOCXBDSA-N 1 0 323.397 1.397 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[C@@H]([NH+](C)C)C1 ZINC000093986097 193334547 /nfs/dbraw/zinc/33/45/47/193334547.db2.gz HHIDMBHLRMVLFU-WDEREUQCSA-N 1 0 307.350 1.816 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000264654994 204057750 /nfs/dbraw/zinc/05/77/50/204057750.db2.gz PRIQNDJQIGQCBE-ZDUSSCGKSA-N 1 0 321.381 1.271 20 5 DDBDRO CC(C)[N@H+](C)CCCNC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000266224981 205196376 /nfs/dbraw/zinc/19/63/76/205196376.db2.gz BJZDPJXJDMCYQM-UHFFFAOYSA-N 1 0 322.409 1.878 20 5 DDBDRO O=[N+]([O-])c1ccc(CN2CC[NH+](C[C@H]3CCOC3)CC2)c(F)c1 ZINC000267401195 206039330 /nfs/dbraw/zinc/03/93/30/206039330.db2.gz FZWVQPYNMNKHJZ-CYBMUJFWSA-N 1 0 323.368 1.888 20 5 DDBDRO CC[NH+]1CCN(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000023991130 182371761 /nfs/dbraw/zinc/37/17/61/182371761.db2.gz MZTHFXKCIUDNAJ-UHFFFAOYSA-N 1 0 306.366 1.479 20 5 DDBDRO C[C@]1(CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)CCC[NH2+]C1 ZINC000440853053 229844915 /nfs/dbraw/zinc/84/49/15/229844915.db2.gz AXYHCMUDFHVXRL-NSHDSACASA-N 1 0 319.408 1.324 20 5 DDBDRO COCC[NH2+]C1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000567279963 304210632 /nfs/dbraw/zinc/21/06/32/304210632.db2.gz ILGUUZWDJMXFHX-UHFFFAOYSA-N 1 0 307.394 1.838 20 5 DDBDRO COCC[N@H+](C)CCCNC(=O)c1cc(C)cc([N+](=O)[O-])c1N ZINC000104848157 194046099 /nfs/dbraw/zinc/04/60/99/194046099.db2.gz GVPZYLVFMHNKRE-UHFFFAOYSA-N 1 0 324.381 1.184 20 5 DDBDRO CCC[NH+]1CCC(NC(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000339181962 250332071 /nfs/dbraw/zinc/33/20/71/250332071.db2.gz HAJAMNMQEPHKBQ-UHFFFAOYSA-N 1 0 320.393 1.997 20 5 DDBDRO COc1cc(C(=O)N(C)[C@@H]2CC[NH2+]C2)c([N+](=O)[O-])cc1OC ZINC000058233502 184093121 /nfs/dbraw/zinc/09/31/21/184093121.db2.gz SLWOYQZKUHTXNK-SECBINFHSA-N 1 0 309.322 1.046 20 5 DDBDRO CC(C)(C(=O)NCC[C@H]1CC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000269171538 207292569 /nfs/dbraw/zinc/29/25/69/207292569.db2.gz IYFZMIFBJFPSKW-GFCCVEGCSA-N 1 0 305.378 1.988 20 5 DDBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000066140443 184392361 /nfs/dbraw/zinc/39/23/61/184392361.db2.gz MJQMYAVUEWNTBH-LLVKDONJSA-N 1 0 311.386 1.336 20 5 DDBDRO C[C@@H]1CN(C(=O)CCOc2ccccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000269221025 207339604 /nfs/dbraw/zinc/33/96/04/207339604.db2.gz RIUOUWJKQWMCCG-NEPJUHHUSA-N 1 0 307.350 1.559 20 5 DDBDRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000417232476 532982420 /nfs/dbraw/zinc/98/24/20/532982420.db2.gz MJMJGEWGBBINAM-TZMCWYRMSA-N 1 0 320.393 1.906 20 5 DDBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000567820634 304246577 /nfs/dbraw/zinc/24/65/77/304246577.db2.gz NEDKEHHWOLBKJR-MNOVXSKESA-N 1 0 322.365 1.625 20 5 DDBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])C1(C(N)=O)CCCC1 ZINC000120096516 195095322 /nfs/dbraw/zinc/09/53/22/195095322.db2.gz QEJZXUVTDBBRRD-UHFFFAOYSA-N 1 0 307.350 1.704 20 5 DDBDRO CCCc1n[nH]c(C(=O)NC[C@]2(C)CCC[NH2+]C2)c1[N+](=O)[O-] ZINC000272987962 210368803 /nfs/dbraw/zinc/36/88/03/210368803.db2.gz KHJCAIBMVRZHCC-CQSZACIVSA-N 1 0 309.370 1.390 20 5 DDBDRO O=[N+]([O-])c1cccc(C[N@@H+]2C[C@H](O)C[C@@H]2[C@H]2CCCOC2)c1 ZINC000449433161 285153445 /nfs/dbraw/zinc/15/34/45/285153445.db2.gz LASCQXKMVCSYIC-NUEKZKHPSA-N 1 0 306.362 1.957 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@@]2(CO)CCc3ccccc32)n1 ZINC000305744428 285168534 /nfs/dbraw/zinc/16/85/34/285168534.db2.gz UPXJIGFBKROKIN-OAHLLOKOSA-N 1 0 302.334 1.215 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000494544311 533221422 /nfs/dbraw/zinc/22/14/22/533221422.db2.gz IALBNRRTCDNHBH-LBPRGKRZSA-N 1 0 307.350 1.752 20 5 DDBDRO CCS(=O)(=O)CCC[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000414341837 224324387 /nfs/dbraw/zinc/32/43/87/224324387.db2.gz ORBMRDRVRHESMX-GFCCVEGCSA-N 1 0 314.407 1.940 20 5 DDBDRO COC(=O)c1coc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])c1 ZINC000289868720 221279699 /nfs/dbraw/zinc/27/96/99/221279699.db2.gz RCCJNVJGHHLLPA-UHFFFAOYSA-N 1 0 319.317 1.940 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000414662655 533225392 /nfs/dbraw/zinc/22/53/92/533225392.db2.gz ZLWPSSNMCDJCBP-ZJUUUORDSA-N 1 0 308.338 1.818 20 5 DDBDRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000121992599 195386464 /nfs/dbraw/zinc/38/64/64/195386464.db2.gz CQFYLQHHTMQCTA-QWHCGFSZSA-N 1 0 320.393 1.759 20 5 DDBDRO O=C(CCn1cc([N+](=O)[O-])cn1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000127967515 195925307 /nfs/dbraw/zinc/92/53/07/195925307.db2.gz VPLFIXMKXHSRPA-ZDUSSCGKSA-N 1 0 321.381 1.126 20 5 DDBDRO COC(=O)CN1CCC([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000295929785 533502460 /nfs/dbraw/zinc/50/24/60/533502460.db2.gz FOJZZVWCSGJCAF-LBPRGKRZSA-N 1 0 321.377 1.883 20 5 DDBDRO COc1cc(C(=O)N2CCC[C@@H]([NH3+])[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000297454487 533519009 /nfs/dbraw/zinc/51/90/09/533519009.db2.gz WSKJQEYWQSDSLS-MWLCHTKSSA-N 1 0 323.349 1.564 20 5 DDBDRO COc1ccc(CNC(=O)NC2(C)CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000417181142 533606566 /nfs/dbraw/zinc/60/65/66/533606566.db2.gz HTUPCIMHVNRMCF-UHFFFAOYSA-N 1 0 322.365 1.545 20 5 DDBDRO COc1ccc(CNC(=O)N[C@@H](C)CCC[NH3+])cc1[N+](=O)[O-] ZINC000417181921 533624488 /nfs/dbraw/zinc/62/44/88/533624488.db2.gz IPZCAYGVPAULQM-JTQLQIEISA-N 1 0 310.354 1.530 20 5 DDBDRO Cc1n[nH]c(C(=O)N2CC[NH+](CCC(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000299569179 533660783 /nfs/dbraw/zinc/66/07/83/533660783.db2.gz VMAPAQDJHXTKNK-UHFFFAOYSA-N 1 0 323.397 1.820 20 5 DDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@H](O)C(F)(F)F)n1 ZINC000447529593 296518586 /nfs/dbraw/zinc/51/85/86/296518586.db2.gz MDGYKSZSNPVGNU-AEJSXWLSSA-N 1 0 322.287 1.788 20 5 DDBDRO CC[NH2+]CCCNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000569459337 304355939 /nfs/dbraw/zinc/35/59/39/304355939.db2.gz OLTJFZZOGCOHGI-UHFFFAOYSA-N 1 0 306.366 1.662 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000261599899 292294470 /nfs/dbraw/zinc/29/44/70/292294470.db2.gz VWLCTWLTLAJJLY-LBPRGKRZSA-N 1 0 315.395 1.555 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(C)(C)CCC[NH3+] ZINC000336847876 292294510 /nfs/dbraw/zinc/29/45/10/292294510.db2.gz GPVDGOITKKSJDQ-UHFFFAOYSA-N 1 0 315.395 1.699 20 5 DDBDRO C[C@@H](Cc1cccc(O)c1)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000570081527 304394518 /nfs/dbraw/zinc/39/45/18/304394518.db2.gz CUQCHTWOSNIWOY-XHDPSFHLSA-N 1 0 320.349 1.079 20 5 DDBDRO CC(C)OCC[NH+]1CCC(Nc2ccncc2[N+](=O)[O-])CC1 ZINC000361000684 299789622 /nfs/dbraw/zinc/78/96/22/299789622.db2.gz CJNLJEKMICWASZ-UHFFFAOYSA-N 1 0 308.382 1.713 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000068256633 406628000 /nfs/dbraw/zinc/62/80/00/406628000.db2.gz JCRTZMGEMLKNSG-GFCCVEGCSA-N 1 0 323.397 1.336 20 5 DDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@H]([NH3+])C(C)C ZINC000070447660 406817278 /nfs/dbraw/zinc/81/72/78/406817278.db2.gz UIHZIRMMRJQKRC-JTQLQIEISA-N 1 0 301.368 1.165 20 5 DDBDRO Cc1ccc(S(=O)(=O)NC[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000044502650 407025219 /nfs/dbraw/zinc/02/52/19/407025219.db2.gz GGXLHNCTIUWUDF-NSHDSACASA-N 1 0 313.379 1.181 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](C[NH3+])C2CC2)cc1C ZINC000087384295 407120351 /nfs/dbraw/zinc/12/03/51/407120351.db2.gz ZZTAVGFTBLXQEP-NSHDSACASA-N 1 0 313.379 1.227 20 5 DDBDRO CC[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1nccs1 ZINC000080277616 407071600 /nfs/dbraw/zinc/07/16/00/407071600.db2.gz WXVDSRJHUMFYJW-WDEREUQCSA-N 1 0 311.367 1.350 20 5 DDBDRO CN(CC1CC[NH+](C)CC1)C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000103451863 407339818 /nfs/dbraw/zinc/33/98/18/407339818.db2.gz IYEVPLIFNLJHHL-UHFFFAOYSA-N 1 0 321.377 1.774 20 5 DDBDRO O=[N+]([O-])c1ccccc1CS(=O)(=O)NCC[NH+]1CCCC1 ZINC000107505334 407375763 /nfs/dbraw/zinc/37/57/63/407375763.db2.gz GLMUPZUGKXGNBL-UHFFFAOYSA-N 1 0 313.379 1.110 20 5 DDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000124721218 407368002 /nfs/dbraw/zinc/36/80/02/407368002.db2.gz XNRBTZVELILIHX-PWSUYJOCSA-N 1 0 306.366 1.853 20 5 DDBDRO CN(C(=O)CCNc1ccccc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000125328627 407385588 /nfs/dbraw/zinc/38/55/88/407385588.db2.gz GKWMHGRLNUPZQA-UHFFFAOYSA-N 1 0 306.366 1.607 20 5 DDBDRO C[C@@H](CNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)[NH+](C)C ZINC000271032319 407478214 /nfs/dbraw/zinc/47/82/14/407478214.db2.gz PBMJOVJFKMSGGA-NSHDSACASA-N 1 0 317.349 1.460 20 5 DDBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000185725705 407487111 /nfs/dbraw/zinc/48/71/11/407487111.db2.gz AZZNSTXUYBMNIT-ZYHUDNBSSA-N 1 0 322.365 1.498 20 5 DDBDRO COc1ccc(C(=O)N2CC[C@H](OC)C[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000261626174 407557535 /nfs/dbraw/zinc/55/75/35/407557535.db2.gz CPAIBTKJWFMDIA-NEPJUHHUSA-N 1 0 323.349 1.182 20 5 DDBDRO Cc1cc(C(=O)NCC2([NH+](C)C)CCOCC2)cc([N+](=O)[O-])c1 ZINC000113990966 407533521 /nfs/dbraw/zinc/53/35/21/407533521.db2.gz HUNNOXUUZUBHCC-UHFFFAOYSA-N 1 0 321.377 1.744 20 5 DDBDRO Cc1c(C(=O)NCC[C@H](C)[NH3+])cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000178667666 407536514 /nfs/dbraw/zinc/53/65/14/407536514.db2.gz FNIHTZVVQAQZPK-ZETCQYMHSA-N 1 0 310.310 1.587 20 5 DDBDRO COc1cc(OCC(=O)N2C[C@H](C[NH3+])C[C@H]2C)ccc1[N+](=O)[O-] ZINC000261793795 407615497 /nfs/dbraw/zinc/61/54/97/407615497.db2.gz LESZDDCTYRFHMU-MNOVXSKESA-N 1 0 323.349 1.178 20 5 DDBDRO CCOc1ccc(C(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)cc1[N+](=O)[O-] ZINC000261804297 407622697 /nfs/dbraw/zinc/62/26/97/407622697.db2.gz MBEJFZZOEGIULO-WDEREUQCSA-N 1 0 307.350 1.803 20 5 DDBDRO NC(=O)c1ccc(CN2CCCC[C@H]2CC[NH3+])c([N+](=O)[O-])c1 ZINC000261841853 407638240 /nfs/dbraw/zinc/63/82/40/407638240.db2.gz CRKLHYXGYFRAKE-ZDUSSCGKSA-N 1 0 306.366 1.397 20 5 DDBDRO CCCN(CC[NH+](CC)CC)C(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000130243499 407669894 /nfs/dbraw/zinc/66/98/94/407669894.db2.gz KAYWKQOTTHDVOF-UHFFFAOYSA-N 1 0 311.386 1.820 20 5 DDBDRO COC(=O)C1(O)CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000271402822 407670135 /nfs/dbraw/zinc/67/01/35/407670135.db2.gz NXXQRZAHAWDPAU-UHFFFAOYSA-N 1 0 308.334 1.137 20 5 DDBDRO Cc1ccnc(N(C)CC2CC[NH+](C[C@H](C)O)CC2)c1[N+](=O)[O-] ZINC000115517149 407688387 /nfs/dbraw/zinc/68/83/87/407688387.db2.gz PWCHYNKUNRLYCV-ZDUSSCGKSA-N 1 0 322.409 1.827 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)CCCC(=O)NC ZINC000179008646 407690843 /nfs/dbraw/zinc/69/08/43/407690843.db2.gz VSZQGZQKCQKEMN-UHFFFAOYSA-N 1 0 309.366 1.952 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186524773 407691071 /nfs/dbraw/zinc/69/10/71/407691071.db2.gz CEAVFNBRNHNQIZ-LBPRGKRZSA-N 1 0 321.381 1.233 20 5 DDBDRO CCOc1cc(C(=O)N(C)[C@@H]2CC[NH2+]C2)c([N+](=O)[O-])cc1OC ZINC000179057714 407708558 /nfs/dbraw/zinc/70/85/58/407708558.db2.gz PBXXPLXBNTWHEW-SNVBAGLBSA-N 1 0 323.349 1.436 20 5 DDBDRO C[C@@H]1C[C@H](NS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000235359592 407720611 /nfs/dbraw/zinc/72/06/11/407720611.db2.gz ULTDWAORVDWRPA-ZYHUDNBSSA-N 1 0 313.379 1.155 20 5 DDBDRO COCCCNC(=O)[C@H](C)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153030498 407737152 /nfs/dbraw/zinc/73/71/52/407737152.db2.gz LTWRASJZAPJYEF-LBPRGKRZSA-N 1 0 321.377 1.494 20 5 DDBDRO CC(C)[C@H](C[NH3+])C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000236650924 407741511 /nfs/dbraw/zinc/74/15/11/407741511.db2.gz KVJYZJSZOSONAQ-ZDUSSCGKSA-N 1 0 320.393 1.474 20 5 DDBDRO C[N@@H+]1CCC[C@H]1CNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000272067573 407761829 /nfs/dbraw/zinc/76/18/29/407761829.db2.gz BMKRHOJSSPOLQX-VIFPVBQESA-N 1 0 321.362 1.424 20 5 DDBDRO CN1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000132062790 407766441 /nfs/dbraw/zinc/76/64/41/407766441.db2.gz OCHOVBDWUDKLJB-UHFFFAOYSA-N 1 0 303.322 1.392 20 5 DDBDRO CCc1n[nH]c(C(=O)NC2CC[NH+](CC3CC3)CC2)c1[N+](=O)[O-] ZINC000171804020 407769664 /nfs/dbraw/zinc/76/96/64/407769664.db2.gz DRIRHEUYSYWJHM-UHFFFAOYSA-N 1 0 321.381 1.485 20 5 DDBDRO CO[C@@H]1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000262302691 407790743 /nfs/dbraw/zinc/79/07/43/407790743.db2.gz OUDRFWALLDRAOX-QWHCGFSZSA-N 1 0 307.350 1.102 20 5 DDBDRO C[NH2+]C1CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000237098117 407796029 /nfs/dbraw/zinc/79/60/29/407796029.db2.gz NOXDWTNCZHKQCO-UHFFFAOYSA-N 1 0 313.379 1.108 20 5 DDBDRO CC[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1c(C)noc1C ZINC000182394377 306704458 /nfs/dbraw/zinc/70/44/58/306704458.db2.gz UAPLUPYQMXEJBV-STQMWFEESA-N 1 0 323.353 1.498 20 5 DDBDRO COc1ccc(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000153544315 407849383 /nfs/dbraw/zinc/84/93/83/407849383.db2.gz MDZQOFIADZHDGR-GFCCVEGCSA-N 1 0 307.350 1.770 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(N2CC[NH+](CCC(=O)N(C)C)CC2)c1 ZINC000268412836 408031423 /nfs/dbraw/zinc/03/14/23/408031423.db2.gz UDZUHJBFISOLNH-UHFFFAOYSA-N 1 0 320.393 1.504 20 5 DDBDRO Cc1ccc(N2CC[NH+](CCC(=O)N(C)C)CC2)c([N+](=O)[O-])c1 ZINC000268429021 408042097 /nfs/dbraw/zinc/04/20/97/408042097.db2.gz ZRFIDJZOPFWISI-UHFFFAOYSA-N 1 0 320.393 1.504 20 5 DDBDRO COCCO[C@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000189679199 408077531 /nfs/dbraw/zinc/07/75/31/408077531.db2.gz ANMSTFJXXAVZQI-HNNXBMFYSA-N 1 0 310.350 1.711 20 5 DDBDRO C[C@H]([NH2+]C[C@@H]1CC[C@@H](C(=O)N(C)C)O1)c1cccc([N+](=O)[O-])c1 ZINC000246089351 408139491 /nfs/dbraw/zinc/13/94/91/408139491.db2.gz WKOIZPZWYRYMBU-CQDKDKBSSA-N 1 0 321.377 1.881 20 5 DDBDRO NCC(F)(F)CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000190208854 408189119 /nfs/dbraw/zinc/18/91/19/408189119.db2.gz GHGUYSACDANCDO-UHFFFAOYSA-N 1 0 307.684 1.501 20 5 DDBDRO CO[C@H](C)[C@H](C)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000273417193 408189795 /nfs/dbraw/zinc/18/97/95/408189795.db2.gz ISKYPNOSDMPMSE-WDEREUQCSA-N 1 0 316.379 1.382 20 5 DDBDRO C[C@@H]1CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H]1CO ZINC000190335261 408222132 /nfs/dbraw/zinc/22/21/32/408222132.db2.gz XTJXPORVIIWHPV-OSAQELSMSA-N 1 0 310.350 1.037 20 5 DDBDRO Nc1c(C(=O)N2CCC[N@@H+](C3CC3)CC2)cccc1[N+](=O)[O-] ZINC000176277501 408329143 /nfs/dbraw/zinc/32/91/43/408329143.db2.gz NEUYQBMCMGOMEU-UHFFFAOYSA-N 1 0 304.350 1.487 20 5 DDBDRO CCC(CC)[C@H](CNc1ncc([N+](=O)[O-])cc1C(N)=O)[NH+](C)C ZINC000128238300 161943552 /nfs/dbraw/zinc/94/35/52/161943552.db2.gz QAKUPKHOPFRIGI-ZDUSSCGKSA-N 1 0 323.397 1.867 20 5 DDBDRO CN1CCC([N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])CCO)CC1 ZINC000269371531 408286150 /nfs/dbraw/zinc/28/61/50/408286150.db2.gz TUDIOUNKUGJGPZ-GQCTYLIASA-N 1 0 319.405 1.997 20 5 DDBDRO CCCc1n[nH]c(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c1[N+](=O)[O-] ZINC000159726907 162148287 /nfs/dbraw/zinc/14/82/87/162148287.db2.gz LSDVVYBJXZFNRZ-AOOOYVTPSA-N 1 0 307.354 1.237 20 5 DDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000170812604 162194158 /nfs/dbraw/zinc/19/41/58/162194158.db2.gz XSIKNWBJSYKYJZ-LBPRGKRZSA-N 1 0 304.350 1.487 20 5 DDBDRO O=C(Cn1ccc([N+](=O)[O-])n1)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000173257782 162328789 /nfs/dbraw/zinc/32/87/89/162328789.db2.gz PFAHMBUJTMJUCI-ZDUSSCGKSA-N 1 0 321.381 1.172 20 5 DDBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000247301419 408447040 /nfs/dbraw/zinc/44/70/40/408447040.db2.gz PBCGEQMXEZFIFI-JSGCOSHPSA-N 1 0 318.377 1.733 20 5 DDBDRO CCn1nc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)c2ccccc21 ZINC000274429287 408401372 /nfs/dbraw/zinc/40/13/72/408401372.db2.gz MBPUMQGFXGOKSL-UHFFFAOYSA-N 1 0 314.349 1.951 20 5 DDBDRO Cc1nn(C)c(C(=O)N[C@H]2CCC[N@@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000274440134 408406581 /nfs/dbraw/zinc/40/65/81/408406581.db2.gz HGGRYSZDGGBPRP-NSHDSACASA-N 1 0 309.370 1.239 20 5 DDBDRO C[NH2+][C@H]1CCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000160471542 408486168 /nfs/dbraw/zinc/48/61/68/408486168.db2.gz GYCAETNOUUIZGP-LBPRGKRZSA-N 1 0 315.333 1.214 20 5 DDBDRO C[C@H]1C[C@@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)C[N@@H+]1C1CC1 ZINC000177088023 408515950 /nfs/dbraw/zinc/51/59/50/408515950.db2.gz LOLMANGLGOBSRZ-NWDGAFQWSA-N 1 0 319.361 1.715 20 5 DDBDRO CC[C@](C)([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)C(N)=O ZINC000177126240 408527275 /nfs/dbraw/zinc/52/72/75/408527275.db2.gz MBRWZBUKKNJNTF-HNNXBMFYSA-N 1 0 322.365 1.475 20 5 DDBDRO COc1ccc(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1[N+](=O)[O-] ZINC000248593819 408591881 /nfs/dbraw/zinc/59/18/81/408591881.db2.gz HQHBULNYJIEYDB-SDDRHHMPSA-N 1 0 305.334 1.413 20 5 DDBDRO C[C@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)[C@H]1CCCO1 ZINC000248606190 408595454 /nfs/dbraw/zinc/59/54/54/408595454.db2.gz PDOQNCGMGYLTPF-TUKIKUTGSA-N 1 0 319.361 1.857 20 5 DDBDRO COCC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000264606080 408540384 /nfs/dbraw/zinc/54/03/84/408540384.db2.gz OLNPLLRKLCNINY-JTQLQIEISA-N 1 0 310.310 1.636 20 5 DDBDRO COc1cccc(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)c1[N+](=O)[O-] ZINC000192572293 408612221 /nfs/dbraw/zinc/61/22/21/408612221.db2.gz OQQUABFCAZSULY-VXGBXAGGSA-N 1 0 319.361 1.912 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+](CCO)C2CCOCC2)c1 ZINC000275667031 408639263 /nfs/dbraw/zinc/63/92/63/408639263.db2.gz YTNNWDRPETTZRF-HNNXBMFYSA-N 1 0 310.350 1.102 20 5 DDBDRO CC(C)[C@H](CCO)[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000161908228 408651101 /nfs/dbraw/zinc/65/11/01/408651101.db2.gz KNQNBOMDQQTMKZ-AWEZNQCLSA-N 1 0 321.377 1.481 20 5 DDBDRO COCC[N@@H+]1CC[C@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000265443821 408654028 /nfs/dbraw/zinc/65/40/28/408654028.db2.gz ZZLILLFOZUOFOH-LBPRGKRZSA-N 1 0 322.365 1.745 20 5 DDBDRO CCS(=O)(=O)CC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192814078 408656809 /nfs/dbraw/zinc/65/68/09/408656809.db2.gz FNMAKJBSTJCNES-AWEZNQCLSA-N 1 0 312.391 1.997 20 5 DDBDRO C[C@@H]1CCC[C@](CNC(=O)c2nn(C)cc2[N+](=O)[O-])([NH+](C)C)C1 ZINC000270740472 408660090 /nfs/dbraw/zinc/66/00/90/408660090.db2.gz GADWZSZLFYXBCN-ABAIWWIYSA-N 1 0 323.397 1.569 20 5 DDBDRO Cn1cc([N+](=O)[O-])c(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)n1 ZINC000270758445 408669712 /nfs/dbraw/zinc/66/97/12/408669712.db2.gz LORACNZQPQVLAP-GFCCVEGCSA-N 1 0 317.349 1.361 20 5 DDBDRO O=C(CN(CCO)C1CCC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000275882657 408707715 /nfs/dbraw/zinc/70/77/15/408707715.db2.gz QQWOMUNPUIBGJG-UHFFFAOYSA-N 1 0 319.361 1.331 20 5 DDBDRO CC[C@@H]1C[N@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C[C@@H]1O ZINC000270855087 408708028 /nfs/dbraw/zinc/70/80/28/408708028.db2.gz HGYXFZWRMWGFDJ-RISCZKNCSA-N 1 0 310.350 1.685 20 5 DDBDRO Nc1cc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)ccn1 ZINC000193429381 408719408 /nfs/dbraw/zinc/71/94/08/408719408.db2.gz LPWHNMOAEVUIKC-GFCCVEGCSA-N 1 0 314.349 1.653 20 5 DDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)NCCC[NH+]1CCC(O)CC1 ZINC000265527897 408685086 /nfs/dbraw/zinc/68/50/86/408685086.db2.gz VFYRFEMEIPESOB-UHFFFAOYSA-N 1 0 321.377 1.100 20 5 DDBDRO C[C@H](O)C[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])[C@@H](C)CO ZINC000276184958 408824637 /nfs/dbraw/zinc/82/46/37/408824637.db2.gz KUUOSNRVLYCABC-UWVGGRQHSA-N 1 0 302.758 1.812 20 5 DDBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000280876171 408851416 /nfs/dbraw/zinc/85/14/16/408851416.db2.gz ZUNTWEIMAUDJGS-ZUZCIYMTSA-N 1 0 320.349 1.119 20 5 DDBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000291472491 408870844 /nfs/dbraw/zinc/87/08/44/408870844.db2.gz FGKSBYLGLZIWTM-GFCCVEGCSA-N 1 0 311.386 1.418 20 5 DDBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@H](O)CO)s2)cc1 ZINC000276804821 408901073 /nfs/dbraw/zinc/90/10/73/408901073.db2.gz TWXLBRCMUISOKA-GFCCVEGCSA-N 1 0 308.359 1.766 20 5 DDBDRO Cc1cc(NCCN2CC[N@@H+](C)C(C)(C)C2)ncc1[N+](=O)[O-] ZINC000281677310 408909133 /nfs/dbraw/zinc/90/91/33/408909133.db2.gz QJZQFDJZLPJHCX-UHFFFAOYSA-N 1 0 307.398 1.736 20 5 DDBDRO CC(C)[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000291730417 408913984 /nfs/dbraw/zinc/91/39/84/408913984.db2.gz JNQUXPVYRWGIOO-HUUCEWRRSA-N 1 0 324.377 1.834 20 5 DDBDRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000286095776 408923149 /nfs/dbraw/zinc/92/31/49/408923149.db2.gz NJHBXOXQICRBMS-JRKPZEMJSA-N 1 0 317.349 1.587 20 5 DDBDRO C[C@@H]1C[C@@H](N2CCOCC2)C[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000286071920 408918630 /nfs/dbraw/zinc/91/86/30/408918630.db2.gz RWIARSIEYIOKTP-UKRRQHHQSA-N 1 0 305.378 1.890 20 5 DDBDRO COC[C@@H](Cc1ccccc1)[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000191506287 163190210 /nfs/dbraw/zinc/19/02/10/163190210.db2.gz AVNHUURKYUWUCB-OAHLLOKOSA-N 1 0 318.377 1.981 20 5 DDBDRO [NH3+]CC[C@H]1CCCN(C(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000281958842 408960993 /nfs/dbraw/zinc/96/09/93/408960993.db2.gz MUSUPIBJFAAYEG-GFCCVEGCSA-N 1 0 307.350 1.561 20 5 DDBDRO CNC(=O)c1ccc(NC2(C[NH+](C)C)CCC2)c([N+](=O)[O-])c1 ZINC000281988833 408966859 /nfs/dbraw/zinc/96/68/59/408966859.db2.gz VLLGKDUQUYQWME-UHFFFAOYSA-N 1 0 306.366 1.851 20 5 DDBDRO Nc1ccc(C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)cc1[N+](=O)[O-] ZINC000277585734 408971565 /nfs/dbraw/zinc/97/15/65/408971565.db2.gz RXIFLFXTBKHNHI-CYBMUJFWSA-N 1 0 318.377 1.924 20 5 DDBDRO C[C@H]([NH2+][C@@H]1CCOC[C@H]1C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000277665201 408988543 /nfs/dbraw/zinc/98/85/43/408988543.db2.gz FUBVSCQLJVXXFG-GRYCIOLGSA-N 1 0 307.350 1.936 20 5 DDBDRO C[C@@H](CCCC[NH3+])NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000293530046 409131709 /nfs/dbraw/zinc/13/17/09/409131709.db2.gz UYFAFFRORYZZSC-VIFPVBQESA-N 1 0 305.338 1.718 20 5 DDBDRO CCCN1CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1 ZINC000283619932 409185958 /nfs/dbraw/zinc/18/59/58/409185958.db2.gz AQHVBSGSVGPZNS-UHFFFAOYSA-N 1 0 310.329 1.484 20 5 DDBDRO COC(=O)C1(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000279206141 409168911 /nfs/dbraw/zinc/16/89/11/409168911.db2.gz LSBUXEVLWUXBTA-UHFFFAOYSA-N 1 0 319.361 1.670 20 5 DDBDRO COCCN(CC[NH+](C)C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000289184678 409229485 /nfs/dbraw/zinc/22/94/85/409229485.db2.gz AUCHSMPVSUQIBI-UHFFFAOYSA-N 1 0 311.382 1.613 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCc1nc(C2([NH3+])CCCC2)no1 ZINC000261907349 163726064 /nfs/dbraw/zinc/72/60/64/163726064.db2.gz ZFJAZTRGMLGJFM-UHFFFAOYSA-N 1 0 306.326 1.453 20 5 DDBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2C[C@H](O)[C@@H](O)C2)c1 ZINC000294362432 409286437 /nfs/dbraw/zinc/28/64/37/409286437.db2.gz ZYNMACCAAZQGIU-QWRGUYRKSA-N 1 0 306.240 1.151 20 5 DDBDRO COC(=O)C[C@@H]1CC[C@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)[C@@H]1C ZINC000280322256 409292116 /nfs/dbraw/zinc/29/21/16/409292116.db2.gz PNAGNIGMUIQDEZ-MDZLAQPJSA-N 1 0 310.354 1.359 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1CN1CCO[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000284715648 409358169 /nfs/dbraw/zinc/35/81/69/409358169.db2.gz ULZRFXDBGTWFQS-HOTGVXAUSA-N 1 0 305.378 1.808 20 5 DDBDRO CC1(C)OCC[C@@H]1[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000295200476 409371540 /nfs/dbraw/zinc/37/15/40/409371540.db2.gz KSPNNWNGOCAHRM-AWEZNQCLSA-N 1 0 319.361 1.641 20 5 DDBDRO CN(C(=O)CCCNc1ccc([N+](=O)[O-])cc1)C1CC([NH3+])C1 ZINC000295202001 409374024 /nfs/dbraw/zinc/37/40/24/409374024.db2.gz KIQFPFZOLHHTHK-UHFFFAOYSA-N 1 0 306.366 1.735 20 5 DDBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000295224154 409386473 /nfs/dbraw/zinc/38/64/73/409386473.db2.gz NBSDBEZGWGNWRV-HWNAMQAFSA-N 1 0 307.375 1.409 20 5 DDBDRO C[NH+](C)CCOCCNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000313915851 164011523 /nfs/dbraw/zinc/01/15/23/164011523.db2.gz UVXHLPZOLJTKGO-UHFFFAOYSA-N 1 0 311.367 1.590 20 5 DDBDRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cc(F)ccc1[N+](=O)[O-] ZINC000321979915 164046223 /nfs/dbraw/zinc/04/62/23/164046223.db2.gz OZBQQPQKLNAFRU-NEPJUHHUSA-N 1 0 323.324 1.327 20 5 DDBDRO COc1cc(C(=O)N[C@H]2CCC[NH2+]CC2)c([N+](=O)[O-])cc1OC ZINC000323221568 164048053 /nfs/dbraw/zinc/04/80/53/164048053.db2.gz QLTUBFPCGCJHII-JTQLQIEISA-N 1 0 323.349 1.484 20 5 DDBDRO CCn1cc([C@@H](C)[NH2+]CCn2cc([N+](=O)[O-])ccc2=O)cn1 ZINC000296235057 409473012 /nfs/dbraw/zinc/47/30/12/409473012.db2.gz WTRWRUMTTJLQEL-LLVKDONJSA-N 1 0 305.338 1.324 20 5 DDBDRO CO[C@]1(C)C[C@@H]([NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1(C)C ZINC000296290075 409491711 /nfs/dbraw/zinc/49/17/11/409491711.db2.gz PBBLIZJFFVNODM-CZUORRHYSA-N 1 0 321.377 1.987 20 5 DDBDRO CC(C)C[N@@H+]1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])nn1C ZINC000356725047 409552670 /nfs/dbraw/zinc/55/26/70/409552670.db2.gz DJNSDUTWTRTTSK-NSHDSACASA-N 1 0 309.370 1.179 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@H]2C2CCCC2)c1 ZINC000304380554 409617263 /nfs/dbraw/zinc/61/72/63/409617263.db2.gz YGJBCMSHOCRDPS-GJZGRUSLSA-N 1 0 308.382 1.807 20 5 DDBDRO C[C@@H]1CC[N@H+](C)CCN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000354007494 409596154 /nfs/dbraw/zinc/59/61/54/409596154.db2.gz QDQWECMOTXLDPT-GFCCVEGCSA-N 1 0 307.350 1.526 20 5 DDBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC1(O)CCC1 ZINC000305141656 409701615 /nfs/dbraw/zinc/70/16/15/409701615.db2.gz QHERKAVRMMKGAA-LLVKDONJSA-N 1 0 307.350 1.817 20 5 DDBDRO CC[C@H]1CN(c2ncc([N+](=O)[O-])c(C)n2)CC[N@@H+]1CCOC ZINC000296923786 409709559 /nfs/dbraw/zinc/70/95/59/409709559.db2.gz AVFAXAYQNGQORS-LBPRGKRZSA-N 1 0 309.370 1.240 20 5 DDBDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000356843157 409656935 /nfs/dbraw/zinc/65/69/35/409656935.db2.gz GBLWLEUAMPODOX-CHWSQXEVSA-N 1 0 321.377 1.915 20 5 DDBDRO C[N@H+](CC[C@H]1CCCO1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000342577196 409734410 /nfs/dbraw/zinc/73/44/10/409734410.db2.gz BGLDWTNZVNQDCV-CYBMUJFWSA-N 1 0 307.350 1.695 20 5 DDBDRO CC[N@@H+]1CCCN(C(=O)c2ccc(NC)c([N+](=O)[O-])c2)CC1 ZINC000307853038 409779787 /nfs/dbraw/zinc/77/97/87/409779787.db2.gz CEUQYVHJVUHFGG-UHFFFAOYSA-N 1 0 306.366 1.804 20 5 DDBDRO C[C@H](CCc1ccco1)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000314919341 409836062 /nfs/dbraw/zinc/83/60/62/409836062.db2.gz HMLQXILZMISTFW-YPMHNXCESA-N 1 0 308.338 1.356 20 5 DDBDRO COc1cc(CN2CC[C@H]3C[NH2+]C[C@@H]3C2)c([N+](=O)[O-])cc1OC ZINC000357098428 409872741 /nfs/dbraw/zinc/87/27/41/409872741.db2.gz BGCBEDMASDXYOH-WCQYABFASA-N 1 0 321.377 1.653 20 5 DDBDRO Cc1ccc(NCCCNC(=O)[C@@H](C)C2C[NH2+]C2)c([N+](=O)[O-])c1 ZINC000357129001 409892494 /nfs/dbraw/zinc/89/24/94/409892494.db2.gz CRXMEUHXZGGOPO-LBPRGKRZSA-N 1 0 320.393 1.677 20 5 DDBDRO CCO[C@@H]1C[C@@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)[C@@H]1SC ZINC000297790044 410002882 /nfs/dbraw/zinc/00/28/82/410002882.db2.gz WRJZCYLPCLBMKQ-UTUOFQBUSA-N 1 0 300.384 1.290 20 5 DDBDRO [NH3+][C@@H]1CCC[C@@H]2CN(c3ccc4ncc([N+](=O)[O-])n4n3)C[C@@H]21 ZINC000571423407 304460884 /nfs/dbraw/zinc/46/08/84/304460884.db2.gz SKPHKPNRBWVQNX-OUAUKWLOSA-N 1 0 302.338 1.201 20 5 DDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H](C)CC[NH+](C)C ZINC000357657687 410170324 /nfs/dbraw/zinc/17/03/24/410170324.db2.gz ACORSBLPBBOPBI-SNVBAGLBSA-N 1 0 315.395 1.522 20 5 DDBDRO COc1cc(CN2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c([N+](=O)[O-])cc1OC ZINC000346840924 410190990 /nfs/dbraw/zinc/19/09/90/410190990.db2.gz GJFLINIBJVSNQG-DRZSPHRISA-N 1 0 321.377 1.781 20 5 DDBDRO C[C@@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H](C)[N@H+]1C ZINC000339611645 410328501 /nfs/dbraw/zinc/32/85/01/410328501.db2.gz GLWPKERAKRFTEM-PHIMTYICSA-N 1 0 303.366 1.996 20 5 DDBDRO C[C@@H]1CN(CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H](C)[NH+]1C ZINC000339621225 410338695 /nfs/dbraw/zinc/33/86/95/410338695.db2.gz HINDBIVOZCRWTN-VXGBXAGGSA-N 1 0 306.366 1.558 20 5 DDBDRO CN(C(=O)COc1cccc([N+](=O)[O-])c1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000347004969 410306654 /nfs/dbraw/zinc/30/66/54/410306654.db2.gz KQGMVLTXUCCYCW-AWEZNQCLSA-N 1 0 319.361 1.669 20 5 DDBDRO C[NH+](C)C1(CNC(=O)COc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000298849875 410423150 /nfs/dbraw/zinc/42/31/50/410423150.db2.gz LSEZAPCYWBRRBX-UHFFFAOYSA-N 1 0 321.377 1.964 20 5 DDBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@H](CO)c1ccsc1 ZINC000352031497 410432254 /nfs/dbraw/zinc/43/22/54/410432254.db2.gz FJTDSNQTQRGLLB-GFCCVEGCSA-N 1 0 309.347 1.141 20 5 DDBDRO CNC(=O)c1ccc(N2CC[NH+](CC(C)C)CC2)c([N+](=O)[O-])c1 ZINC000299060639 410503777 /nfs/dbraw/zinc/50/37/77/410503777.db2.gz LJBKHXGBMVROLB-UHFFFAOYSA-N 1 0 320.393 1.732 20 5 DDBDRO C[NH+](C)CCN(C1CC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000347415685 410534020 /nfs/dbraw/zinc/53/40/20/410534020.db2.gz NGPOKLAKLQSGHT-UHFFFAOYSA-N 1 0 313.379 1.310 20 5 DDBDRO CCCc1n[nH]c(C(=O)NC[C@H]2CCC[N@H+]2CCC)c1[N+](=O)[O-] ZINC000343631476 410583806 /nfs/dbraw/zinc/58/38/06/410583806.db2.gz QSWQWNMAIKWAQM-LLVKDONJSA-N 1 0 323.397 1.875 20 5 DDBDRO C[N@H+](CC(=O)NCc1ccc([N+](=O)[O-])cc1)[C@H]1CCSC1 ZINC000339974937 410589141 /nfs/dbraw/zinc/58/91/41/410589141.db2.gz FETCZKXPOUJPCO-ZDUSSCGKSA-N 1 0 309.391 1.648 20 5 DDBDRO C[C@H]1C[N@@H+](C2CCN(c3ncc([N+](=O)[O-])cn3)CC2)CCO1 ZINC000302127763 410841371 /nfs/dbraw/zinc/84/13/71/410841371.db2.gz XALKXEMOLQWYHK-NSHDSACASA-N 1 0 307.354 1.074 20 5 DDBDRO Cn1cc([N+](=O)[O-])c(C(=O)NC2CCC(C[NH+](C)C)CC2)n1 ZINC000330639242 410845390 /nfs/dbraw/zinc/84/53/90/410845390.db2.gz BPJUVXHWSFXYSY-UHFFFAOYSA-N 1 0 309.370 1.179 20 5 DDBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])nn1C)[N@@H+]1CCCC[C@H]1C ZINC000356149517 410864799 /nfs/dbraw/zinc/86/47/99/410864799.db2.gz HCCQAEIFKJKYQX-GHMZBOCLSA-N 1 0 309.370 1.321 20 5 DDBDRO CN(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@@H](C[NH3+])C1CC1 ZINC000359876274 410928159 /nfs/dbraw/zinc/92/81/59/410928159.db2.gz LBWDOCSZIWWQGH-AWEZNQCLSA-N 1 0 306.366 1.227 20 5 DDBDRO Cn1ccnc1[C@@H](NCCN1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000353646693 411098729 /nfs/dbraw/zinc/09/87/29/411098729.db2.gz QRRPWVJMHMVWRO-HNNXBMFYSA-N 1 0 315.377 1.713 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]1CC[C@@H](CO)O1 ZINC000353706665 411114831 /nfs/dbraw/zinc/11/48/31/411114831.db2.gz PQUMBCSQBMIHMI-KBPBESRZSA-N 1 0 310.350 1.623 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])cc1CNC[C@@](C)(O)C[NH+](C)C ZINC000131448381 196169772 /nfs/dbraw/zinc/16/97/72/196169772.db2.gz FNBYQVPKCAEJNG-OAHLLOKOSA-N 1 0 311.382 1.396 20 5 DDBDRO C[C@@]1(CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)CCC[NH2+]C1 ZINC000417225708 225253022 /nfs/dbraw/zinc/25/30/22/225253022.db2.gz JWHWBFZOARJMJD-MRXNPFEDSA-N 1 0 320.393 1.826 20 5 DDBDRO COC[C@@]1(C)CC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000296695819 226134069 /nfs/dbraw/zinc/13/40/69/226134069.db2.gz METGVWBEINTYQI-CJNGLKHVSA-N 1 0 324.377 1.693 20 5 DDBDRO O=C(CCN1CCC2(CC[NH2+]2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000422625403 227078461 /nfs/dbraw/zinc/07/84/61/227078461.db2.gz BILZXFYTTKYDRZ-UHFFFAOYSA-N 1 0 318.377 1.751 20 5 DDBDRO Cc1ccc(NC(=O)[C@H]2CN(C(C)C)CCO2)cc1[N+](=O)[O-] ZINC000366817198 418522045 /nfs/dbraw/zinc/52/20/45/418522045.db2.gz CYVGEWMXLOXPHF-CQSZACIVSA-N 1 0 307.350 1.951 20 5 DDBDRO COc1cccc(C(=O)NC[C@@H](C)[N@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000192509393 418524410 /nfs/dbraw/zinc/52/44/10/418524410.db2.gz PJHQRRMROYJXFQ-SNVBAGLBSA-N 1 0 307.350 1.816 20 5 DDBDRO Cc1cc(NCCNc2cnccn2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000360978436 418558649 /nfs/dbraw/zinc/55/86/49/418558649.db2.gz IIHJAZJFTUKDPL-UHFFFAOYSA-N 1 0 324.344 2.187 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@@H]2C2CC[NH2+]CC2)c1 ZINC000361081293 418579835 /nfs/dbraw/zinc/57/98/35/418579835.db2.gz QQNSVGOTLNXFSP-TZMCWYRMSA-N 1 0 319.361 1.721 20 5 DDBDRO C[NH+](C)CCn1nccc1NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000294048735 418582401 /nfs/dbraw/zinc/58/24/01/418582401.db2.gz LFLZQKDNKNIHNR-UHFFFAOYSA-N 1 0 318.337 1.187 20 5 DDBDRO Cc1c([C@H]2CCC[N@@H+]2CCn2cc([N+](=O)[O-])cn2)cnn1C ZINC000367320675 418584102 /nfs/dbraw/zinc/58/41/02/418584102.db2.gz YIRCZSPTEPTPLU-CQSZACIVSA-N 1 0 304.354 1.670 20 5 DDBDRO NC(=O)c1ccc(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3O)c([N+](=O)[O-])c1 ZINC000361152138 418593951 /nfs/dbraw/zinc/59/39/51/418593951.db2.gz ASGQJTIAAXEWFN-NNQSOWQGSA-N 1 0 319.361 1.287 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)CC1CC[NH+](C)CC1 ZINC000291369311 222346751 /nfs/dbraw/zinc/34/67/51/222346751.db2.gz AFIXPUFXDIBJHW-UHFFFAOYSA-N 1 0 321.377 1.952 20 5 DDBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000361293309 418619418 /nfs/dbraw/zinc/61/94/18/418619418.db2.gz WNBCFRFCADELGR-RISCZKNCSA-N 1 0 304.350 1.546 20 5 DDBDRO COC(=O)c1cc(C)nc(NCC[NH2+]C(C)(C)C)c1[N+](=O)[O-] ZINC000342130129 418627155 /nfs/dbraw/zinc/62/71/55/418627155.db2.gz ZWLBUALCSYVBNS-UHFFFAOYSA-N 1 0 310.354 1.885 20 5 DDBDRO O=[N+]([O-])c1cnn(CC[NH+]2CCC([C@H]3CCCOC3)CC2)c1 ZINC000367999796 418672574 /nfs/dbraw/zinc/67/25/74/418672574.db2.gz KIICJRHWGOCHGU-AWEZNQCLSA-N 1 0 308.382 1.930 20 5 DDBDRO COCCC[N@@H+]1CCCN(c2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000375704914 418675084 /nfs/dbraw/zinc/67/50/84/418675084.db2.gz OGLCJERCCFOGKL-UHFFFAOYSA-N 1 0 308.382 1.726 20 5 DDBDRO C[C@@]1(C(N)=O)CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000361567650 418679751 /nfs/dbraw/zinc/67/97/51/418679751.db2.gz VUEZVENBVWCZCQ-OAHLLOKOSA-N 1 0 320.349 1.121 20 5 DDBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H]2C(=O)NC[C@H]2C1 ZINC000368072061 418683931 /nfs/dbraw/zinc/68/39/31/418683931.db2.gz ODNKGJJCUICUSI-AAEUAGOBSA-N 1 0 305.334 1.171 20 5 DDBDRO C[C@H]([NH3+])[C@H](C)NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000381420325 418728816 /nfs/dbraw/zinc/72/88/16/418728816.db2.gz AIODSEAQKAZPII-BQBZGAKWSA-N 1 0 316.155 1.823 20 5 DDBDRO CC[C@H]1[C@H](CO)CC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000385849881 418738233 /nfs/dbraw/zinc/73/82/33/418738233.db2.gz XKTKIJCYDLWFLX-STQMWFEESA-N 1 0 307.350 1.287 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCc2ccc(F)cc2)c1 ZINC000386847477 418741054 /nfs/dbraw/zinc/74/10/54/418741054.db2.gz XKMLLMNBYSCAPB-CQSZACIVSA-N 1 0 308.313 1.124 20 5 DDBDRO C[C@H]1COCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000371105292 418762524 /nfs/dbraw/zinc/76/25/24/418762524.db2.gz BIFRNKNGKQODLZ-GFCCVEGCSA-N 1 0 307.350 1.892 20 5 DDBDRO Nc1nc(N2CCC[C@@H]2C[NH+]2CCCCCC2)ncc1[N+](=O)[O-] ZINC000364160053 418773616 /nfs/dbraw/zinc/77/36/16/418773616.db2.gz ZFOYKYZVZIJNGE-GFCCVEGCSA-N 1 0 320.397 1.812 20 5 DDBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCCN2)c1 ZINC000423012367 227312150 /nfs/dbraw/zinc/31/21/50/227312150.db2.gz KNGFLZCDTPYVFV-ZACQAIPSSA-N 1 0 319.405 1.884 20 5 DDBDRO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000365631935 418885077 /nfs/dbraw/zinc/88/50/77/418885077.db2.gz RUARDFNILZLJGN-LLVKDONJSA-N 1 0 320.349 1.442 20 5 DDBDRO CCCc1n[nH]c(C(=O)N2CC[C@@]3(CCC[C@@H]3[NH3+])C2)c1[N+](=O)[O-] ZINC000372788096 418902318 /nfs/dbraw/zinc/90/23/18/418902318.db2.gz TXJCABZQDQUKNR-NHYWBVRUSA-N 1 0 321.381 1.614 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@H]1CCO ZINC000426230008 419410791 /nfs/dbraw/zinc/41/07/91/419410791.db2.gz JTHPGXCFCIDNLL-STQMWFEESA-N 1 0 310.350 1.181 20 5 DDBDRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000417952009 419417041 /nfs/dbraw/zinc/41/70/41/419417041.db2.gz XPXCGCZOJNRECS-RISCZKNCSA-N 1 0 306.366 1.435 20 5 DDBDRO Cc1ccc(CN2C[C@H](C)[N@@H+](CCO)C[C@H]2C)cc1[N+](=O)[O-] ZINC000418112746 419542698 /nfs/dbraw/zinc/54/26/98/419542698.db2.gz LNOXLYBBJPMREP-UONOGXRCSA-N 1 0 307.394 1.790 20 5 DDBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NCCC[NH2+]C1CC1 ZINC000418304623 419689285 /nfs/dbraw/zinc/68/92/85/419689285.db2.gz WARNIMRXUWOHCV-UHFFFAOYSA-N 1 0 320.393 1.921 20 5 DDBDRO COCC[C@@]1(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)CC[NH2+]C1 ZINC000429984614 228863426 /nfs/dbraw/zinc/86/34/26/228863426.db2.gz NEWUPBFNEHRGBZ-LRDDRELGSA-N 1 0 321.377 1.788 20 5 DDBDRO COCC[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000421762475 419715921 /nfs/dbraw/zinc/71/59/21/419715921.db2.gz NCASECJYRMFJCH-UHFFFAOYSA-N 1 0 309.366 1.520 20 5 DDBDRO C[NH+](C)CCCNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000299216077 229000083 /nfs/dbraw/zinc/00/00/83/229000083.db2.gz SRVSSGOEZJWCIJ-UHFFFAOYSA-N 1 0 321.786 1.478 20 5 DDBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CNCCO1 ZINC000415091119 419938403 /nfs/dbraw/zinc/93/84/03/419938403.db2.gz BPRLQCBZHQDJDR-CWRNSKLLSA-N 1 0 319.405 1.884 20 5 DDBDRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000418767587 419973377 /nfs/dbraw/zinc/97/33/77/419973377.db2.gz ODEBOIRZUCNIIN-BXUZGUMPSA-N 1 0 318.377 1.790 20 5 DDBDRO CCOc1ccc([C@@H](C)NC[C@@H]2C[NH2+]CCN2C)cc1[N+](=O)[O-] ZINC000423520761 420070356 /nfs/dbraw/zinc/07/03/56/420070356.db2.gz QFVXIMRHQWMMAU-OCCSQVGLSA-N 1 0 322.409 1.548 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@](C)(C[NH3+])C(C)C ZINC000430548563 420132892 /nfs/dbraw/zinc/13/28/92/420132892.db2.gz CDHJZEJIVRLDFR-OAHLLOKOSA-N 1 0 308.382 1.805 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000415820145 420190317 /nfs/dbraw/zinc/19/03/17/420190317.db2.gz AEFAMBSSIMINRE-UHFFFAOYSA-N 1 0 320.349 1.052 20 5 DDBDRO C[C@]1(C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)CCCC[NH2+]1 ZINC000423824035 420209607 /nfs/dbraw/zinc/20/96/07/420209607.db2.gz IXSLCPBNQQNMSP-OAHLLOKOSA-N 1 0 304.350 1.407 20 5 DDBDRO C[NH2+][C@@H]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000430595561 420151716 /nfs/dbraw/zinc/15/17/16/420151716.db2.gz UVFYPYWNKUDJNX-GFCCVEGCSA-N 1 0 306.366 1.526 20 5 DDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)c1 ZINC000423751222 420161110 /nfs/dbraw/zinc/16/11/10/420161110.db2.gz VQAODOVUQFPGNK-MNOVXSKESA-N 1 0 307.350 1.851 20 5 DDBDRO O=[N+]([O-])c1cccc2ncnc(N3CC[C@H]4C[NH2+]C[C@H]4CC3)c21 ZINC000420254917 420169794 /nfs/dbraw/zinc/16/97/94/420169794.db2.gz FAIFTCDANFSZMD-TXEJJXNPSA-N 1 0 313.361 1.974 20 5 DDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)s1 ZINC000440445547 229798404 /nfs/dbraw/zinc/79/84/04/229798404.db2.gz PXBGQKMKODWSFY-SECBINFHSA-N 1 0 317.392 1.171 20 5 DDBDRO C[C@H](N[C@@H]1[C@H](C)CC[NH2+][C@H]1C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000420373532 420245776 /nfs/dbraw/zinc/24/57/76/420245776.db2.gz RHJIDAQATKSXID-OXJKWZBOSA-N 1 0 320.393 1.898 20 5 DDBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NCCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000420381745 420249836 /nfs/dbraw/zinc/24/98/36/420249836.db2.gz ZJHWHSGTCDHDCS-WQGACYEGSA-N 1 0 320.393 1.900 20 5 DDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCC[C@@H]([NH3+])C2)c1 ZINC000420401942 420263067 /nfs/dbraw/zinc/26/30/67/420263067.db2.gz HFQGRLDZIOGXPY-LLVKDONJSA-N 1 0 313.379 1.323 20 5 DDBDRO C[NH2+]CCCN(C)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000424009945 420305298 /nfs/dbraw/zinc/30/52/98/420305298.db2.gz JYCUWIJKLOVUTB-UHFFFAOYSA-N 1 0 320.393 1.877 20 5 DDBDRO COc1cccc(C(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC000424010056 420305453 /nfs/dbraw/zinc/30/54/53/420305453.db2.gz XOSUDQMRCVVKRK-MNOVXSKESA-N 1 0 307.350 1.660 20 5 DDBDRO COc1cccc(C(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC000424010055 420306050 /nfs/dbraw/zinc/30/60/50/420306050.db2.gz XOSUDQMRCVVKRK-GHMZBOCLSA-N 1 0 307.350 1.660 20 5 DDBDRO C[NH+](C)[C@H]1CCC[C@@H](Nc2c(C(N)=O)cccc2[N+](=O)[O-])C1 ZINC000420598826 420328039 /nfs/dbraw/zinc/32/80/39/420328039.db2.gz KHQDRVOJSBWBEU-MNOVXSKESA-N 1 0 306.366 1.978 20 5 DDBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC[C@H](c2nnc[nH]2)C1 ZINC000425553395 420416930 /nfs/dbraw/zinc/41/69/30/420416930.db2.gz UHMAPFGZPKPUJG-NSHDSACASA-N 1 0 303.322 1.581 20 5 DDBDRO Cc1c(CC(=O)N2CC[N@@H+](C)CC[C@H]2C)cccc1[N+](=O)[O-] ZINC000438840395 420466816 /nfs/dbraw/zinc/46/68/16/420466816.db2.gz YUFFYOBXKPXSNE-GFCCVEGCSA-N 1 0 305.378 1.998 20 5 DDBDRO O=[N+]([O-])c1cnc(NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c(Cl)c1 ZINC000450793946 420532554 /nfs/dbraw/zinc/53/25/54/420532554.db2.gz QTMVEPHJDAJCBS-PHIMTYICSA-N 1 0 312.757 1.918 20 5 DDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])NCC[C@@H]1CCC[NH2+]C1 ZINC000417765882 420473290 /nfs/dbraw/zinc/47/32/90/420473290.db2.gz OMTRTPPNWFPFNR-ZDUSSCGKSA-N 1 0 320.393 1.826 20 5 DDBDRO C[C@H](C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1)c1ccc([N+](=O)[O-])cc1F ZINC000452970836 420691781 /nfs/dbraw/zinc/69/17/81/420691781.db2.gz GDMRKSNKBOJLPB-ZIBATOQPSA-N 1 0 321.352 2.000 20 5 DDBDRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)Nc1cccc([N+](=O)[O-])c1 ZINC000454139316 420805193 /nfs/dbraw/zinc/80/51/93/420805193.db2.gz DQGFJQJNTNLXHH-AWEZNQCLSA-N 1 0 322.365 1.563 20 5 DDBDRO CCCc1n[nH]c(C(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000449649992 421045859 /nfs/dbraw/zinc/04/58/59/421045859.db2.gz SVOBCYAZAWZXPY-VHSXEESVSA-N 1 0 309.370 1.518 20 5 DDBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000449522434 421021648 /nfs/dbraw/zinc/02/16/48/421021648.db2.gz KTPROPGWHCEDRA-QCNRNOMUSA-N 1 0 315.329 1.203 20 5 DDBDRO CCc1ccc(C(=O)N[C@H](CC[NH3+])C(F)F)cc1[N+](=O)[O-] ZINC000449619433 421039429 /nfs/dbraw/zinc/03/94/29/421039429.db2.gz CJPOUSFZOAVLLX-SNVBAGLBSA-N 1 0 301.293 1.870 20 5 DDBDRO CNc1nc(C(=O)NCC2(C)CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000455994546 421085547 /nfs/dbraw/zinc/08/55/47/421085547.db2.gz NACDEEVWWPDFEP-UHFFFAOYSA-N 1 0 321.381 1.493 20 5 DDBDRO C[C@H]1[C@H](CO)CC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000488799331 421118257 /nfs/dbraw/zinc/11/82/57/421118257.db2.gz KJQKZVIWGSCKEF-AAEUAGOBSA-N 1 0 319.361 1.187 20 5 DDBDRO CC(C)[C@@H]1CN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000490295328 421191691 /nfs/dbraw/zinc/19/16/91/421191691.db2.gz BRQCPOPSCUCPQD-ZDUSSCGKSA-N 1 0 306.366 1.589 20 5 DDBDRO CC[N@H+](C)Cc1cccc(CNC(=O)c2c[nH]nc2[N+](=O)[O-])c1 ZINC000547756174 421363190 /nfs/dbraw/zinc/36/31/90/421363190.db2.gz OPLHDBHLQPBLLQ-UHFFFAOYSA-N 1 0 317.349 1.700 20 5 DDBDRO COc1cc(C(=O)NCC[N@@H+]2CC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000562916498 421425647 /nfs/dbraw/zinc/42/56/47/421425647.db2.gz IKTMQUINZQFZBY-NSHDSACASA-N 1 0 307.350 1.675 20 5 DDBDRO O=C(CC1CC[NH2+]CC1)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000514600038 421436858 /nfs/dbraw/zinc/43/68/58/421436858.db2.gz JVZREZODELYADI-UHFFFAOYSA-N 1 0 307.350 1.480 20 5 DDBDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000548731892 421467782 /nfs/dbraw/zinc/46/77/82/421467782.db2.gz LJQDKYVLLDTDRJ-ZDUSSCGKSA-N 1 0 306.366 1.840 20 5 DDBDRO COc1cc(S(=O)(=O)N[C@H](C)C[C@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000516570503 421553514 /nfs/dbraw/zinc/55/35/14/421553514.db2.gz SIYNDRDGBPSOJB-DTWKUNHWSA-N 1 0 317.367 1.008 20 5 DDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@]1(O)C[NH+]2CCC1CC2 ZINC000552025164 421568124 /nfs/dbraw/zinc/56/81/24/421568124.db2.gz AXZWYEMCUUINEL-INIZCTEOSA-N 1 0 319.361 1.090 20 5 DDBDRO CCCN(CC[NH+]1CCCC1)C(=O)c1cc([N+](=O)[O-])cn1C ZINC000552041489 421570320 /nfs/dbraw/zinc/57/03/20/421570320.db2.gz UHUCPCMNFWVTBK-UHFFFAOYSA-N 1 0 308.382 1.881 20 5 DDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]Cc2cccc(O)c2)c1 ZINC000571277577 421701855 /nfs/dbraw/zinc/70/18/55/421701855.db2.gz MANVRLMTCBTMDN-OAHLLOKOSA-N 1 0 318.329 1.830 20 5 DDBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000520366851 421747094 /nfs/dbraw/zinc/74/70/94/421747094.db2.gz IUZCQOXOYSTCJD-NWDGAFQWSA-N 1 0 308.382 1.784 20 5 DDBDRO [NH3+]CCC1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000572052921 421762415 /nfs/dbraw/zinc/76/24/15/421762415.db2.gz BBCXFXSWRNTGGF-UHFFFAOYSA-N 1 0 307.350 1.561 20 5 DDBDRO CC[C@H](O)[C@H](CC)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000522001722 421811817 /nfs/dbraw/zinc/81/18/17/421811817.db2.gz KNKAMRPCNVNHOK-DYEKYZERSA-N 1 0 312.366 1.474 20 5 DDBDRO COC(=O)c1cc(C(=O)N2CC[C@H]([NH3+])C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000575134216 422265850 /nfs/dbraw/zinc/26/58/50/422265850.db2.gz PJXYJOKKJFOTIQ-CABZTGNLSA-N 1 0 321.333 1.333 20 5 DDBDRO COc1ccc(CC(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)cc1[N+](=O)[O-] ZINC000575398930 422296832 /nfs/dbraw/zinc/29/68/32/422296832.db2.gz FRRQNOFWUYOZFC-QWRGUYRKSA-N 1 0 307.350 1.355 20 5 DDBDRO COC(=O)c1cc(C)nc(NC[C@H]2C[C@@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000594592803 422351970 /nfs/dbraw/zinc/35/19/70/422351970.db2.gz XQEXPTIBYVQISU-XYPYZODXSA-N 1 0 322.365 1.837 20 5 DDBDRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000341799776 271215913 /nfs/dbraw/zinc/21/59/13/271215913.db2.gz CMSTVRJLDZLITJ-NSHDSACASA-N 1 0 322.365 1.380 20 5 DDBDRO CCC[NH+]1CCC(N(C)C(=O)c2ccc([N+](=O)[O-])n2C)CC1 ZINC000345052971 272163375 /nfs/dbraw/zinc/16/33/75/272163375.db2.gz AVQPVPXPSISLLF-UHFFFAOYSA-N 1 0 308.382 1.880 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(N2CCC[N@@H+]([C@H](C)CO)CC2)c1 ZINC000338706022 274117789 /nfs/dbraw/zinc/11/77/89/274117789.db2.gz RBHUHPAAFLIBKD-GFCCVEGCSA-N 1 0 309.366 1.496 20 5 DDBDRO C[C@@H](CC[NH3+])NC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000418518523 274209059 /nfs/dbraw/zinc/20/90/59/274209059.db2.gz FMDKQXRWFPTWTQ-JTQLQIEISA-N 1 0 308.338 1.236 20 5 DDBDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000423545357 274307569 /nfs/dbraw/zinc/30/75/69/274307569.db2.gz AWAYNVVSOUDYEY-ZWNOBZJWSA-N 1 0 314.345 1.871 20 5 DDBDRO CC(C)C[NH+]1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000298210954 275577316 /nfs/dbraw/zinc/57/73/16/275577316.db2.gz UJRIJFUXHYIREI-UHFFFAOYSA-N 1 0 306.366 1.472 20 5 DDBDRO CC[C@H](CNS(C)(=O)=O)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296658228 287862212 /nfs/dbraw/zinc/86/22/12/287862212.db2.gz ZNTCVBCUAYVASQ-CMPLNLGQSA-N 1 0 315.395 1.573 20 5 DDBDRO CC[N@@H+]1CC[C@H]2OCCN(CCc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000293161074 276235489 /nfs/dbraw/zinc/23/54/89/276235489.db2.gz FOCNWHNXAFSCCW-DLBZAZTESA-N 1 0 319.405 1.932 20 5 DDBDRO CN1CC[NH2+]C[C@@H]1CN[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000423522047 277116376 /nfs/dbraw/zinc/11/63/76/277116376.db2.gz RENADVVNARJTTA-CZUORRHYSA-N 1 0 318.421 1.810 20 5 DDBDRO C[NH2+]CCCN(C)[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000420391169 277267308 /nfs/dbraw/zinc/26/73/08/277267308.db2.gz RRAJBVNNVSFOSX-NSHDSACASA-N 1 0 324.381 1.472 20 5 DDBDRO CC(C)[C@@H](C(=O)NCCNc1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000159650505 277721832 /nfs/dbraw/zinc/72/18/32/277721832.db2.gz LJLODJZHNLEQGV-AWEZNQCLSA-N 1 0 308.382 1.709 20 5 DDBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCc1cn[nH]c1 ZINC000289570229 278222269 /nfs/dbraw/zinc/22/22/69/278222269.db2.gz AXGGBAUNSCLBCZ-NSHDSACASA-N 1 0 317.349 1.867 20 5 DDBDRO C[C@@H](C[NH3+])NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000276888550 278250104 /nfs/dbraw/zinc/25/01/04/278250104.db2.gz FUMVVSAYBNONGI-LURJTMIESA-N 1 0 302.128 1.434 20 5 DDBDRO C[C@@H]([NH2+]CCCN1CCC[C@H]1C(N)=O)c1ccc([N+](=O)[O-])cc1 ZINC000268966065 278345067 /nfs/dbraw/zinc/34/50/67/278345067.db2.gz YMDCZEFZDXGTBS-DOMZBBRYSA-N 1 0 320.393 1.585 20 5 DDBDRO C[C@H]1C[C@@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC[NH2+]1 ZINC000447508166 279962147 /nfs/dbraw/zinc/96/21/47/279962147.db2.gz JROWCLLTDMJHON-UWVGGRQHSA-N 1 0 321.333 1.236 20 5 DDBDRO C[N@@H+]1CCC[C@H](CNC(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000120685936 281123324 /nfs/dbraw/zinc/12/33/24/281123324.db2.gz MZELINPHZARZCX-CQSZACIVSA-N 1 0 320.393 1.778 20 5 DDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(C)[C@H](C[NH3+])C1CC1 ZINC000159915244 281262014 /nfs/dbraw/zinc/26/20/14/281262014.db2.gz WFYARWVJRQFHFJ-GFCCVEGCSA-N 1 0 313.379 1.261 20 5 DDBDRO C[NH+](C)C1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000128010960 281295110 /nfs/dbraw/zinc/29/51/10/281295110.db2.gz RHGKBACEPAFSBB-UHFFFAOYSA-N 1 0 320.393 1.949 20 5 DDBDRO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000321648870 298259094 /nfs/dbraw/zinc/25/90/94/298259094.db2.gz PSBPLXJUYUYHBP-WFASDCNBSA-N 1 0 318.377 1.241 20 5 DDBDRO C[C@@H]1CC[N@H+](C)CCN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000353994487 298333567 /nfs/dbraw/zinc/33/35/67/298333567.db2.gz FTWRESXHQLUGSQ-CYBMUJFWSA-N 1 0 320.393 1.949 20 5 DDBDRO COc1cc(C(=O)N2CC[N@H+](C)CC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000354008938 298338030 /nfs/dbraw/zinc/33/80/30/298338030.db2.gz UGRWBFGHVPOLFG-NSHDSACASA-N 1 0 307.350 1.770 20 5 DDBDRO CC(C)(C(=O)NCc1ccc(C[NH3+])cc1)n1cc([N+](=O)[O-])cn1 ZINC000573804537 304615744 /nfs/dbraw/zinc/61/57/44/304615744.db2.gz OFJADZLAPUYRJA-UHFFFAOYSA-N 1 0 317.349 1.302 20 5 DDBDRO C[C@H](CNC(=O)c1nn(C)cc1[N+](=O)[O-])[N@@H+]1CCCC[C@H]1C ZINC000357965267 299034772 /nfs/dbraw/zinc/03/47/72/299034772.db2.gz QTTVCIBXTITYGH-GHMZBOCLSA-N 1 0 309.370 1.321 20 5 DDBDRO CCO[C@H]1COCC[C@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000362022920 299987095 /nfs/dbraw/zinc/98/70/95/299987095.db2.gz HPIDIZZXBXKCLT-CABCVRRESA-N 1 0 310.350 1.757 20 5 DDBDRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000362982492 300193695 /nfs/dbraw/zinc/19/36/95/300193695.db2.gz MEEQCJVGNRZGER-MFKMUULPSA-N 1 0 304.350 1.072 20 5 DDBDRO Cc1cc(C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c(N)c([N+](=O)[O-])c1 ZINC000363652342 300292851 /nfs/dbraw/zinc/29/28/51/300292851.db2.gz PMAYGRUVQDFYJA-UHTWSYAYSA-N 1 0 318.377 1.685 20 5 DDBDRO O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000365330343 300499866 /nfs/dbraw/zinc/49/98/66/300499866.db2.gz YFUZAULVBIPMQH-BCBDKAHJSA-N 1 0 301.346 1.818 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(N)c([N+](=O)[O-])c3)C[C@@H]21 ZINC000368596592 301061302 /nfs/dbraw/zinc/06/13/02/301061302.db2.gz VMBVMCJIFIDKHT-YGRLFVJLSA-N 1 0 304.350 1.343 20 5 DDBDRO NC(=O)c1ccc(C[N@@H+]2CCCO[C@@H]3CCC[C@H]32)c([N+](=O)[O-])c1 ZINC000369473839 301189465 /nfs/dbraw/zinc/18/94/65/301189465.db2.gz UFPJXCZFQYOQHD-UKRRQHHQSA-N 1 0 319.361 1.837 20 5 DDBDRO Cc1cc(C)c(S(=O)(=O)N[C@H](C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000193293694 301199099 /nfs/dbraw/zinc/19/90/99/301199099.db2.gz MKHRGEOILZKOSK-LLVKDONJSA-N 1 0 313.379 1.227 20 5 DDBDRO COC(=O)CN1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000370025974 301260644 /nfs/dbraw/zinc/26/06/44/301260644.db2.gz LEHSMCTWBDXONO-UHFFFAOYSA-N 1 0 321.377 1.318 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2CCCC23CCOCC3)c1 ZINC000370296615 301312024 /nfs/dbraw/zinc/31/20/24/301312024.db2.gz HUDZEXALSWTALM-ZIAGYGMSSA-N 1 0 324.381 1.091 20 5 DDBDRO CCCc1nc(C)c(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)o1 ZINC000575917131 304741192 /nfs/dbraw/zinc/74/11/92/304741192.db2.gz KFFJSPQCHZFIAF-LBPRGKRZSA-N 1 0 323.353 1.191 20 5 DDBDRO C[NH+](C)[C@@H]1CCc2ccccc2[C@@H]1NC(=O)[C@@H]1C[C@@H]1[N+](=O)[O-] ZINC000377688089 302212290 /nfs/dbraw/zinc/21/22/90/302212290.db2.gz IHMBXLLDENHMKW-KBXIAJHMSA-N 1 0 303.362 1.386 20 5 DDBDRO O=C(c1ccc([N+](=O)[O-])cn1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000377735590 302222819 /nfs/dbraw/zinc/22/28/19/302222819.db2.gz BGICCDGVQZAVCW-GFCCVEGCSA-N 1 0 304.350 1.452 20 5 DDBDRO Cc1nn(CCC(=O)NC[C@H](C)[NH+]2CCCC2)c(C)c1[N+](=O)[O-] ZINC000523224025 302894972 /nfs/dbraw/zinc/89/49/72/302894972.db2.gz HTIGIYYMNPPVBN-NSHDSACASA-N 1 0 323.397 1.399 20 5 DDBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357084251 306870820 /nfs/dbraw/zinc/87/08/20/306870820.db2.gz PJYYSRREIUIODR-AGIUHOORSA-N 1 0 318.377 1.463 20 5 DDBDRO C[NH+](C)CCN(Cc1ccco1)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531887227 303264005 /nfs/dbraw/zinc/26/40/05/303264005.db2.gz OSVZSWVGWCZOQV-UHFFFAOYSA-N 1 0 318.333 1.787 20 5 DDBDRO CS[C@@H]1CN(c2c([N+](=O)[O-])ncn2C)C[C@H]1[NH+]1CCCC1 ZINC000548364322 303585393 /nfs/dbraw/zinc/58/53/93/303585393.db2.gz GWFHRJFDVIQJSO-GHMZBOCLSA-N 1 0 311.411 1.344 20 5 DDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCn2cccn2)n1 ZINC000447584370 304811670 /nfs/dbraw/zinc/81/16/70/304811670.db2.gz FJMJYAHTTDXSRB-QWHCGFSZSA-N 1 0 304.354 1.761 20 5 DDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCC(C(F)F)CC2)c1 ZINC000361694737 307003307 /nfs/dbraw/zinc/00/33/07/307003307.db2.gz ZMGHIHTWWJREFQ-LLVKDONJSA-N 1 0 304.297 1.129 20 5 DDBDRO [NH3+][C@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)C[C@H]1c1ccc(F)cc1 ZINC000364164730 307042539 /nfs/dbraw/zinc/04/25/39/307042539.db2.gz BSTTUAHIMLLDOI-RYUDHWBXSA-N 1 0 319.292 1.894 20 5 DDBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])c(F)cc3N)[C@H]2C1 ZINC000367253621 307089841 /nfs/dbraw/zinc/08/98/41/307089841.db2.gz SQYSIDXJDYWSPB-OTYXRUKQSA-N 1 0 322.340 1.482 20 5 DDBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](CC(N)=O)C1 ZINC000367377996 307092335 /nfs/dbraw/zinc/09/23/35/307092335.db2.gz NVERFTSOIPHBAB-WDEREUQCSA-N 1 0 320.349 1.119 20 5 DDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)n1 ZINC000373142416 307180405 /nfs/dbraw/zinc/18/04/05/307180405.db2.gz TWHLPVPDYYFKIS-UONOGXRCSA-N 1 0 308.382 1.930 20 5 DDBDRO O=C1O[C@@H](C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)CC12CC2 ZINC000373220278 307181915 /nfs/dbraw/zinc/18/19/15/307181915.db2.gz NDBYWDFLMSNLEM-GFCCVEGCSA-N 1 0 320.349 1.524 20 5 DDBDRO O=C1NC[C@@]2(CCC[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)C2)O1 ZINC000375573269 307228304 /nfs/dbraw/zinc/22/83/04/307228304.db2.gz VEZDRAZOVWTJDW-OAHLLOKOSA-N 1 0 321.333 1.548 20 5 DDBDRO CNc1ccc(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)cc1[N+](=O)[O-] ZINC000516001711 307410314 /nfs/dbraw/zinc/41/03/14/307410314.db2.gz KYXWYUHJUDZKHZ-RYUDHWBXSA-N 1 0 304.350 1.318 20 5 DDBDRO O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000521226848 307465923 /nfs/dbraw/zinc/46/59/23/307465923.db2.gz HHBCPXFCVDXMKG-SNVBAGLBSA-N 1 0 319.317 1.290 20 5 DDBDRO CCCC[C@@H](C[NH3+])NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000563101812 307957080 /nfs/dbraw/zinc/95/70/80/307957080.db2.gz OORINRAFUIVDEV-JTQLQIEISA-N 1 0 323.349 1.613 20 5 DDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000566231791 308050563 /nfs/dbraw/zinc/05/05/63/308050563.db2.gz UEMYMQTXUHJHKA-NFAWXSAZSA-N 1 0 324.377 1.475 20 5 DDBDRO C/C=C/C[C@H](CO)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000570515884 308171981 /nfs/dbraw/zinc/17/19/81/308171981.db2.gz XKDZOBPCKNROHX-XCUNLHGCSA-N 1 0 310.350 1.251 20 5 DDBDRO C[C@H](Cc1c[nH]cn1)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000572012900 308208403 /nfs/dbraw/zinc/20/84/03/308208403.db2.gz YQJLZZZPROARBO-LLVKDONJSA-N 1 0 302.334 1.855 20 5 DDBDRO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000573484723 308243523 /nfs/dbraw/zinc/24/35/23/308243523.db2.gz FQRVTTYVRMGKEO-STQMWFEESA-N 1 0 321.381 1.343 20 5 DDBDRO C[NH2+]C[C@H]1CCN(C(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)C1 ZINC000576038035 308285979 /nfs/dbraw/zinc/28/59/79/308285979.db2.gz ROVKYSCUIWWSQO-SNVBAGLBSA-N 1 0 321.333 1.063 20 5 DDBDRO CCCN(C(=O)c1cccc(OC)c1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000576576610 308324208 /nfs/dbraw/zinc/32/42/08/308324208.db2.gz GDXDMSSINXGZIC-NSHDSACASA-N 1 0 307.350 1.818 20 5 DDBDRO COc1ccc(CC(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000578231389 308447455 /nfs/dbraw/zinc/44/74/55/308447455.db2.gz PWBWTFDXMBUAIG-WCQYABFASA-N 1 0 321.377 1.589 20 5 DDBDRO CCOc1ccc(NC(=O)CN(C)[C@@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000578507955 308466584 /nfs/dbraw/zinc/46/65/84/308466584.db2.gz CPQODPKSJVOOHR-LLVKDONJSA-N 1 0 322.365 1.226 20 5 DDBDRO Cc1csc(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])n1 ZINC000578880409 308492071 /nfs/dbraw/zinc/49/20/71/308492071.db2.gz GMOYVQXYEOUUNR-LLVKDONJSA-N 1 0 323.374 1.889 20 5 DDBDRO CS[C@H](C)C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000580553740 308613361 /nfs/dbraw/zinc/61/33/61/308613361.db2.gz DRLRJNJBLXXMQG-ZYHUDNBSSA-N 1 0 300.380 1.676 20 5 DDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000584172551 331852918 /nfs/dbraw/zinc/85/29/18/331852918.db2.gz VYAQFJWQHZKYMB-NXEZZACHSA-N 1 0 308.338 1.084 20 5 DDBDRO CC[N@H+](C)C[C@H](O)CN1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000583478471 333366969 /nfs/dbraw/zinc/36/69/69/333366969.db2.gz HNPUETNPTIWQKD-AWEZNQCLSA-N 1 0 322.409 1.029 20 5 DDBDRO CC(C)(C(=O)N1CCC(CC[NH3+])CC1)n1cc([N+](=O)[O-])cn1 ZINC000583032214 337231199 /nfs/dbraw/zinc/23/11/99/337231199.db2.gz FZMGYFIDNNZGTG-UHFFFAOYSA-N 1 0 309.370 1.114 20 5 DDBDRO NC(=O)c1ccc(C[N@@H+]2CCC[C@@H](CCO)CC2)c([N+](=O)[O-])c1 ZINC000421024312 484112457 /nfs/dbraw/zinc/11/24/57/484112457.db2.gz XELBOZZOWWELHF-GFCCVEGCSA-N 1 0 321.377 1.678 20 5 DDBDRO C[C@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cn[nH]c1 ZINC000494703999 533990019 /nfs/dbraw/zinc/99/00/19/533990019.db2.gz PIWIIWVIEYRWNK-IINYFYTJSA-N 1 0 315.333 1.774 20 5 DDBDRO Cc1cc(S(=O)(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)ccc1[N+](=O)[O-] ZINC000447248248 534035415 /nfs/dbraw/zinc/03/54/15/534035415.db2.gz TXWWCQDQOHIANU-MNOVXSKESA-N 1 0 313.379 1.261 20 5 DDBDRO C[C@@H]1CC[NH2+][C@H](C(=O)NCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000422939801 534106283 /nfs/dbraw/zinc/10/62/83/534106283.db2.gz RVDKKUXTYYBYPX-RISCZKNCSA-N 1 0 306.366 1.511 20 5 DDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](O)C1CCOCC1 ZINC000449156620 534254269 /nfs/dbraw/zinc/25/42/69/534254269.db2.gz STYWTJYLZVIZCT-BLLLJJGKSA-N 1 0 308.378 1.903 20 5 DDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC[N@@H+]2CCCO)c1 ZINC000452363784 534319047 /nfs/dbraw/zinc/31/90/47/534319047.db2.gz MDNSZGZSKIRVDO-ZDUSSCGKSA-N 1 0 321.377 1.480 20 5 DDBDRO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cnc2N)CC[N@@H+](C2CC2)C1 ZINC000452178288 534405610 /nfs/dbraw/zinc/40/56/10/534405610.db2.gz YVKKASSXXHIJEY-JTQLQIEISA-N 1 0 319.365 1.128 20 5 DDBDRO [NH3+]C[C@@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000423942766 534661632 /nfs/dbraw/zinc/66/16/32/534661632.db2.gz QGPHNGZFYSOQHK-CQSZACIVSA-N 1 0 307.350 1.607 20 5 DDBDRO [NH3+]C[C@H]1CCCN(C(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000493063891 534688417 /nfs/dbraw/zinc/68/84/17/534688417.db2.gz NHAAWVBUYOFMIK-VLWUPBBWSA-N 1 0 307.325 1.944 20 5 DDBDRO C[C@H](O)C[N@H+](C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000156348610 525738600 /nfs/dbraw/zinc/73/86/00/525738600.db2.gz LFEMGIGGICXMBI-JTQLQIEISA-N 1 0 309.322 1.205 20 5 DDBDRO CCCN(CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000420299134 528033070 /nfs/dbraw/zinc/03/30/70/528033070.db2.gz SWUQCEIPKSBMMC-CYBMUJFWSA-N 1 0 320.393 1.997 20 5 DDBDRO CC(C)c1ccc(C(=O)NCCN2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000422739842 528069899 /nfs/dbraw/zinc/06/98/99/528069899.db2.gz MAJWVUTVHGFQRQ-UHFFFAOYSA-N 1 0 320.393 1.353 20 5 DDBDRO CC[NH+](CC)CCCCNC(=O)c1ccc([N+](=O)[O-])c(NC)n1 ZINC000455662711 528099595 /nfs/dbraw/zinc/09/95/95/528099595.db2.gz KNGTXUWUSMIUAU-UHFFFAOYSA-N 1 0 323.397 1.883 20 5 DDBDRO CNC(=O)c1ccc(N[C@@H]2CC[N@H+](C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000336859131 536434969 /nfs/dbraw/zinc/43/49/69/536434969.db2.gz FIZDEHBJZDGWGA-CMPLNLGQSA-N 1 0 306.366 1.849 20 5 DDBDRO C[N@@H+]1CC[C@@H](CNc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC000736848360 598243579 /nfs/dbraw/zinc/24/35/79/598243579.db2.gz LWEXFPVSDIVDGU-VIFPVBQESA-N 1 0 303.326 1.139 20 5 DDBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CC[NH2+]C1 ZINC000123176971 696729204 /nfs/dbraw/zinc/72/92/04/696729204.db2.gz QNQCTSMWWNXIAA-QMMMGPOBSA-N 1 0 319.770 1.197 20 5 DDBDRO CS(=O)(=O)CCC[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050443583 696231954 /nfs/dbraw/zinc/23/19/54/696231954.db2.gz BKHQVMFPWYRVRD-UHFFFAOYSA-N 1 0 306.771 1.773 20 5 DDBDRO CC1(C)CN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CC[NH2+]1 ZINC000747921055 700092402 /nfs/dbraw/zinc/09/24/02/700092402.db2.gz HXGZZOJKMVUUSH-UHFFFAOYSA-N 1 0 317.349 1.155 20 5 DDBDRO Cc1cc(C(=O)NC[C@@H](C2CC2)[NH+](C)C)c(N)c([N+](=O)[O-])c1 ZINC000104856332 696621091 /nfs/dbraw/zinc/62/10/91/696621091.db2.gz SKDLRVNAEWOETE-ZDUSSCGKSA-N 1 0 306.366 1.555 20 5 DDBDRO CC1(C)C[NH2+]CCN1S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000157646151 696980107 /nfs/dbraw/zinc/98/01/07/696980107.db2.gz MLOXFDMETOEYJL-UHFFFAOYSA-N 1 0 317.342 1.106 20 5 DDBDRO O=[N+]([O-])c1ccnn1CN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000174101414 697384338 /nfs/dbraw/zinc/38/43/38/697384338.db2.gz FVPZRPNONLEPDE-UHFFFAOYSA-N 1 0 323.397 1.326 20 5 DDBDRO C[N@H+](C[C@@H]1CCOC1)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000176091921 697401337 /nfs/dbraw/zinc/40/13/37/697401337.db2.gz KKWQBNUWVVAQGP-LBPRGKRZSA-N 1 0 317.349 1.779 20 5 DDBDRO CCNS(=O)(=O)CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000772977889 697700015 /nfs/dbraw/zinc/70/00/15/697700015.db2.gz KWKGQVJVTTYAJP-NSHDSACASA-N 1 0 315.395 1.493 20 5 DDBDRO NC(=O)C[C@@H]1CCCC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776582166 698121096 /nfs/dbraw/zinc/12/10/96/698121096.db2.gz RVCURFPACBJKPP-KBPBESRZSA-N 1 0 307.350 1.358 20 5 DDBDRO NC(=O)CC[C@@H]1CCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776583018 698121370 /nfs/dbraw/zinc/12/13/70/698121370.db2.gz YNVFMJQMUPIYEW-WFASDCNBSA-N 1 0 321.377 1.606 20 5 DDBDRO O=C1NCC2(CC[NH+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)CC2)O1 ZINC000782003003 698672076 /nfs/dbraw/zinc/67/20/76/698672076.db2.gz CHCLGLGZGSZLFJ-CYBMUJFWSA-N 1 0 321.333 1.203 20 5 DDBDRO C/C=C(\C)C(=O)N1CCC([NH2+]Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000990844582 699171757 /nfs/dbraw/zinc/17/17/57/699171757.db2.gz HZQMGWSRHRDRJI-NYYWCZLTSA-N 1 0 321.381 1.375 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000719001647 699297203 /nfs/dbraw/zinc/29/72/03/699297203.db2.gz PUZXGDLAJXMSIG-GFCCVEGCSA-N 1 0 310.354 1.185 20 5 DDBDRO C[N@@H+]1C[C@@H]2CCN(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H]2C1 ZINC000794927332 699836375 /nfs/dbraw/zinc/83/63/75/699836375.db2.gz FLOBUBRMYNCKKV-SMDDNHRTSA-N 1 0 306.322 1.639 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCC[N@H+]1CCC[C@H]1C ZINC000742238651 699868814 /nfs/dbraw/zinc/86/88/14/699868814.db2.gz GJOIMBORNCWDOA-LLVKDONJSA-N 1 0 309.370 1.090 20 5 DDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000743869293 699929762 /nfs/dbraw/zinc/92/97/62/699929762.db2.gz NQRYSYHARXMQDH-NSHDSACASA-N 1 0 309.370 1.090 20 5 DDBDRO C[NH+]1CCC(CNC(=S)Nc2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000760466094 700809326 /nfs/dbraw/zinc/80/93/26/700809326.db2.gz MLYNTIDDZOFXGL-UHFFFAOYSA-N 1 0 323.422 1.805 20 5 DDBDRO C[N@@H+]1CC[C@](O)(CNC(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000762719246 700904408 /nfs/dbraw/zinc/90/44/08/700904408.db2.gz RCJQGNXUCGHGLD-ZDUSSCGKSA-N 1 0 313.741 1.045 20 5 DDBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@H](CCO)C2CC2)cccc1[N+](=O)[O-] ZINC000771795220 701330874 /nfs/dbraw/zinc/33/08/74/701330874.db2.gz IQCBRAKWYRMEJJ-SMDDNHRTSA-N 1 0 321.377 1.981 20 5 DDBDRO O=C1[C@H]([NH2+][C@@H](CO)C2CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000771812342 701332327 /nfs/dbraw/zinc/33/23/27/701332327.db2.gz HMLNNPYFCUEOOS-KGLIPLIRSA-N 1 0 305.334 1.061 20 5 DDBDRO CC[NH+]1CCN(c2cccc(NC(=O)[C@@H]3CC3[N+](=O)[O-])c2)CC1 ZINC000839729002 701799894 /nfs/dbraw/zinc/79/98/94/701799894.db2.gz UNIBYGYKDAUSGJ-HUUCEWRRSA-N 1 0 318.377 1.432 20 5 DDBDRO C[C@@H](CNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)[NH+](C)C ZINC000839785002 701825725 /nfs/dbraw/zinc/82/57/25/701825725.db2.gz HQGQMANMINOSER-JTQLQIEISA-N 1 0 305.338 1.011 20 5 DDBDRO COCCN1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815575284 701898313 /nfs/dbraw/zinc/89/83/13/701898313.db2.gz NXLWMPXXORQCHQ-TZMCWYRMSA-N 1 0 322.409 1.938 20 5 DDBDRO COc1ccc(NC(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)cc1[N+](=O)[O-] ZINC000868145322 701962618 /nfs/dbraw/zinc/96/26/18/701962618.db2.gz PVENPKMKICIYEY-NEPJUHHUSA-N 1 0 320.349 1.962 20 5 DDBDRO C[N@@H+]1CCCC[C@H]1CCOC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000840223352 702034525 /nfs/dbraw/zinc/03/45/25/702034525.db2.gz ZEKFTBHFOFDEEB-LBPRGKRZSA-N 1 0 324.381 1.944 20 5 DDBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H](C)Cn1cncn1 ZINC000866249476 706657761 /nfs/dbraw/zinc/65/77/61/706657761.db2.gz KGGMYRWRMIVNHC-MNOVXSKESA-N 1 0 307.329 1.935 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)NCc2ccc(CC[NH3+])cc2)n1 ZINC000818534353 702661917 /nfs/dbraw/zinc/66/19/17/702661917.db2.gz BYVFTTJUSNDJGC-UHFFFAOYSA-N 1 0 317.349 1.242 20 5 DDBDRO COC(=O)Cc1ccc(N2CC[NH2+]C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000842313371 702701839 /nfs/dbraw/zinc/70/18/39/702701839.db2.gz JZGXULYGPICBQE-UHFFFAOYSA-N 1 0 307.350 1.499 20 5 DDBDRO Cc1cc(Cl)c(S(=O)(=O)N(C)CC[NH3+])cc1[N+](=O)[O-] ZINC000842485889 702728438 /nfs/dbraw/zinc/72/84/38/702728438.db2.gz PLHIZHZMIBOSIM-UHFFFAOYSA-N 1 0 307.759 1.136 20 5 DDBDRO C[NH2+]C[C@@H](C)c1noc(CCNc2ccccc2[N+](=O)[O-])n1 ZINC000842575784 702735439 /nfs/dbraw/zinc/73/54/39/702735439.db2.gz DOKMDNSVOFTPPF-SNVBAGLBSA-N 1 0 305.338 1.955 20 5 DDBDRO C[NH2+]C[C@@H](C)c1noc(-c2n[nH]c3ccc([N+](=O)[O-])cc32)n1 ZINC000842579943 702736146 /nfs/dbraw/zinc/73/61/46/702736146.db2.gz QMPDEHQJSUIXBN-SSDOTTSWSA-N 1 0 302.294 1.844 20 5 DDBDRO C[NH2+][C@H](C)Cc1noc(-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1 ZINC000842622776 702744222 /nfs/dbraw/zinc/74/42/22/702744222.db2.gz QAJBTVOGYRHLBL-SSDOTTSWSA-N 1 0 307.266 1.703 20 5 DDBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000842882145 702786649 /nfs/dbraw/zinc/78/66/49/702786649.db2.gz OTMRHWKWDWMHLG-JGVFFNPUSA-N 1 0 321.786 1.571 20 5 DDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H](CO)CN2CCCCC2)c1 ZINC000843113556 702821530 /nfs/dbraw/zinc/82/15/30/702821530.db2.gz WZPCSHJMYZXRBC-GOEBONIOSA-N 1 0 323.393 1.065 20 5 DDBDRO C[NH2+]CCCc1nc(Cc2cc(OC)ccc2[N+](=O)[O-])no1 ZINC000843223942 702845638 /nfs/dbraw/zinc/84/56/38/702845638.db2.gz YNOMTDSVJNXFAG-UHFFFAOYSA-N 1 0 306.322 1.729 20 5 DDBDRO C[N@@H+]1CCC[C@@H]1CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000844268663 703002048 /nfs/dbraw/zinc/00/20/48/703002048.db2.gz OAQNMIKXUFWOAK-MRXNPFEDSA-N 1 0 304.394 1.811 20 5 DDBDRO Cc1cc(Cc2noc([C@H](N)CC[NH+](C)C)n2)ccc1[N+](=O)[O-] ZINC000844913834 703084293 /nfs/dbraw/zinc/08/42/93/703084293.db2.gz VWUPLHLOJJPCPR-GFCCVEGCSA-N 1 0 319.365 1.829 20 5 DDBDRO C[NH+]1CCC(ONC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC1 ZINC000846648425 703307634 /nfs/dbraw/zinc/30/76/34/703307634.db2.gz XWRLPPQQRRSUMD-UHFFFAOYSA-N 1 0 323.305 1.079 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)NCCC2(C[NH3+])CC2)cc1[N+](=O)[O-] ZINC000846694183 703319008 /nfs/dbraw/zinc/31/90/08/703319008.db2.gz SOAXNPKXGMCBNC-UHFFFAOYSA-N 1 0 322.321 1.670 20 5 DDBDRO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000846743664 703326110 /nfs/dbraw/zinc/32/61/10/703326110.db2.gz RBLFBVZGNOPVPI-PWSUYJOCSA-N 1 0 317.349 1.283 20 5 DDBDRO CCn1cc([N+](=O)[O-])c(C(=O)OC[C@@H](C)[NH+]2CCCCC2)n1 ZINC000847961718 703487809 /nfs/dbraw/zinc/48/78/09/703487809.db2.gz CJTKUUJOTVUIFO-LLVKDONJSA-N 1 0 310.354 1.842 20 5 DDBDRO C[NH+](C)C1(CS(=O)(=O)Oc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000866643443 706749786 /nfs/dbraw/zinc/74/97/86/706749786.db2.gz VSUWCUDMNOIDIL-UHFFFAOYSA-N 1 0 318.326 1.537 20 5 DDBDRO CNc1nccc(C(=O)N2C[C@@H]3CC[N@H+](C)C[C@@H]3C2)c1[N+](=O)[O-] ZINC000848102739 703506668 /nfs/dbraw/zinc/50/66/68/703506668.db2.gz AZZOZPCJUHXKDT-WDEREUQCSA-N 1 0 319.365 1.055 20 5 DDBDRO Cn1ncc(CCC[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])n1 ZINC000848551287 703562648 /nfs/dbraw/zinc/56/26/48/703562648.db2.gz ISMOLKCUXPVHDS-AWEZNQCLSA-N 1 0 301.350 1.933 20 5 DDBDRO CCO[C@@H](CNC(=O)c1c(C)c(C)ccc1[N+](=O)[O-])C[NH+](C)C ZINC000831696127 706755314 /nfs/dbraw/zinc/75/53/14/706755314.db2.gz QYUXUEPTZAVDQZ-ZDUSSCGKSA-N 1 0 323.393 1.908 20 5 DDBDRO CCO[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1F)C[NH+](C)C ZINC000831719759 706762051 /nfs/dbraw/zinc/76/20/51/706762051.db2.gz UGUDMXBPSCTGQQ-NSHDSACASA-N 1 0 313.329 1.430 20 5 DDBDRO O=[N+]([O-])c1cc(F)ccc1CN1CC[NH+](CCCCO)CC1 ZINC000851848554 703870473 /nfs/dbraw/zinc/87/04/73/703870473.db2.gz LAPRUNJCGXMQSB-UHFFFAOYSA-N 1 0 311.357 1.624 20 5 DDBDRO CC(C)[C@@H]1CN(S(=O)(=O)c2csc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000851895509 703879944 /nfs/dbraw/zinc/87/99/44/703879944.db2.gz CPDGRQJICRRPGA-JTQLQIEISA-N 1 0 319.408 1.275 20 5 DDBDRO CCO[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1F)C[NH+](C)C ZINC000831756494 706772666 /nfs/dbraw/zinc/77/26/66/706772666.db2.gz ITNNHHFLAOAQAP-LLVKDONJSA-N 1 0 313.329 1.430 20 5 DDBDRO C[C@](C[NH3+])(NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000818555080 703925117 /nfs/dbraw/zinc/92/51/17/703925117.db2.gz YCTKBIHUHRTIBX-OAHLLOKOSA-N 1 0 317.349 1.188 20 5 DDBDRO CN(CC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)CC(F)(F)F ZINC000819053943 704060835 /nfs/dbraw/zinc/06/08/35/704060835.db2.gz IACHHPJGMIXSJS-LBPRGKRZSA-N 1 0 321.299 1.712 20 5 DDBDRO C[C@H](C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)CN1CCOCC1 ZINC000819089591 704068435 /nfs/dbraw/zinc/06/84/35/704068435.db2.gz LVKDNZMCTDUMQG-CJNGLKHVSA-N 1 0 323.393 1.186 20 5 DDBDRO C[C@H](C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)CN1CCOCC1 ZINC000819090540 704069019 /nfs/dbraw/zinc/06/90/19/704069019.db2.gz WUWMHXTWXASVLG-CZUORRHYSA-N 1 0 323.393 1.186 20 5 DDBDRO CCNC(=O)N1CC[C@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000819160534 704078516 /nfs/dbraw/zinc/07/85/16/704078516.db2.gz GVIHYTJBQDCHHB-JSGCOSHPSA-N 1 0 322.365 1.022 20 5 DDBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H]3COC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000852664836 704096199 /nfs/dbraw/zinc/09/61/99/704096199.db2.gz DNQGDSFIORBDOF-RYUDHWBXSA-N 1 0 307.306 1.971 20 5 DDBDRO O=C1[C@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@H]2CCCCN12 ZINC000819360056 704113209 /nfs/dbraw/zinc/11/32/09/704113209.db2.gz YXCBRIVWRFDJBO-ZNMIVQPWSA-N 1 0 319.361 1.371 20 5 DDBDRO [NH3+]C[C@H]1CC(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)=NO1 ZINC000852835510 704142100 /nfs/dbraw/zinc/14/21/00/704142100.db2.gz OTBIHDZCJNCPEG-CYBMUJFWSA-N 1 0 320.349 1.137 20 5 DDBDRO [NH3+]CC12CC(C1)CN2C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000852909104 704169733 /nfs/dbraw/zinc/16/97/33/704169733.db2.gz POCPDSBAKDFALW-UHFFFAOYSA-N 1 0 309.297 1.062 20 5 DDBDRO C[N@@H+]1CC[C@H](CC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)C1 ZINC000821339810 704393283 /nfs/dbraw/zinc/39/32/83/704393283.db2.gz IPBPFKCGURAISS-GFCCVEGCSA-N 1 0 303.362 1.821 20 5 DDBDRO Cc1cc(Cl)c(C(=O)N[C@@H](CO)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000854463213 704401506 /nfs/dbraw/zinc/40/15/06/704401506.db2.gz ANVBNBPUEPFVFV-SECBINFHSA-N 1 0 315.757 1.209 20 5 DDBDRO Cc1cc(F)cc(C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)c1[N+](=O)[O-] ZINC000857008309 704546848 /nfs/dbraw/zinc/54/68/48/704546848.db2.gz GQROKXJULFFJTH-BMIGLBTASA-N 1 0 307.325 1.996 20 5 DDBDRO Cc1c([N+](=O)[O-])cc(C(=O)NC2CC([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000857231624 704567220 /nfs/dbraw/zinc/56/72/20/704567220.db2.gz PYQGGKANVWPNEH-UHFFFAOYSA-N 1 0 322.321 1.634 20 5 DDBDRO O=[N+]([O-])c1ccc(Cc2noc(CC[C@H]3CCC[NH2+]C3)n2)nc1 ZINC000857254352 704570700 /nfs/dbraw/zinc/57/07/00/704570700.db2.gz AOKUCZZFQWKUFO-LLVKDONJSA-N 1 0 317.349 1.896 20 5 DDBDRO O=C(N[C@@H]1CC[NH2+]C1)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857763095 704621652 /nfs/dbraw/zinc/62/16/52/704621652.db2.gz PFHLJTOWJKUWHF-MRVPVSSYSA-N 1 0 301.249 1.045 20 5 DDBDRO CC[N@H+](CCO)CCNC(=O)c1c(C)ccc([N+](=O)[O-])c1C ZINC000822010659 704860360 /nfs/dbraw/zinc/86/03/60/704860360.db2.gz CJQQHCOSVWCKFQ-UHFFFAOYSA-N 1 0 309.366 1.256 20 5 DDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)c1 ZINC000874845995 705200903 /nfs/dbraw/zinc/20/09/03/705200903.db2.gz XBZSUSUIASOXQE-CABCVRRESA-N 1 0 319.361 1.912 20 5 DDBDRO C[N@@H+]1CC[C@@](O)(CNC(=O)c2cccc([N+](=O)[O-])c2Cl)C1 ZINC000860826877 705293455 /nfs/dbraw/zinc/29/34/55/705293455.db2.gz PTVPFQICQXKUKV-CYBMUJFWSA-N 1 0 313.741 1.045 20 5 DDBDRO Nc1ccc(NC(=O)N2CC[NH+](CC3CC3)CC2)cc1[N+](=O)[O-] ZINC000824003173 705353071 /nfs/dbraw/zinc/35/30/71/705353071.db2.gz RISNNYCLAVCGQO-UHFFFAOYSA-N 1 0 319.365 1.737 20 5 DDBDRO C[NH+](C)[C@@H]1C[C@H](NC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C1(C)C ZINC000824094907 705374483 /nfs/dbraw/zinc/37/44/83/705374483.db2.gz NOCCNTXPQNELKY-BFHYXJOUSA-N 1 0 321.377 1.473 20 5 DDBDRO Cc1cc(F)cc(C(=O)NC[C@H]2C[NH2+]CCCO2)c1[N+](=O)[O-] ZINC000825187702 705620089 /nfs/dbraw/zinc/62/00/89/705620089.db2.gz CDTZOZIEYHXEKD-LLVKDONJSA-N 1 0 311.313 1.151 20 5 DDBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000825505811 705684149 /nfs/dbraw/zinc/68/41/49/705684149.db2.gz WJPDOLFFQPLBBE-SWLSCSKDSA-N 1 0 321.377 1.476 20 5 DDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000863032407 705852619 /nfs/dbraw/zinc/85/26/19/705852619.db2.gz ODUKBJYEQVPWBM-ZDUSSCGKSA-N 1 0 318.377 1.924 20 5 DDBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000827035606 705915968 /nfs/dbraw/zinc/91/59/68/705915968.db2.gz RPHTYFSOPSWULA-KMUNFCNLSA-N 1 0 319.361 1.227 20 5 DDBDRO C[C@@H]1[NH2+]CC[C@H]1NC1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000863546516 705953721 /nfs/dbraw/zinc/95/37/21/705953721.db2.gz KFHCPGFKJZQISS-BLLLJJGKSA-N 1 0 304.394 1.904 20 5 DDBDRO COc1ccc(NC(=O)[C@@H](C)N(C)C[C@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000863566249 705959708 /nfs/dbraw/zinc/95/97/08/705959708.db2.gz FXITWPNQLKUYMK-VHSXEESVSA-N 1 0 310.354 1.209 20 5 DDBDRO Cc1nc([N+](=O)[O-])c(-c2noc([C@H](F)[C@H]3CC[NH2+]C3)n2)n1C ZINC000863671782 705982754 /nfs/dbraw/zinc/98/27/54/705982754.db2.gz AFQLQUSWVXZXMR-JGVFFNPUSA-N 1 0 310.289 1.307 20 5 DDBDRO C[C@@H]([NH3+])CN(C)C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000877106467 705985759 /nfs/dbraw/zinc/98/57/59/705985759.db2.gz XLDIPCSWVHMXAJ-SSDOTTSWSA-N 1 0 303.721 1.735 20 5 DDBDRO O=C(COc1cccc([N+](=O)[O-])c1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877284639 706048637 /nfs/dbraw/zinc/04/86/37/706048637.db2.gz OFGSNOCNCGUATB-KBPBESRZSA-N 1 0 305.334 1.327 20 5 DDBDRO COc1ccc(C(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)cc1[N+](=O)[O-] ZINC000877289601 706050404 /nfs/dbraw/zinc/05/04/04/706050404.db2.gz VKOXVKQQCXPXOY-RYUDHWBXSA-N 1 0 305.334 1.570 20 5 DDBDRO CCOC(=O)[C@H](C)[C@H](C)[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877322733 706063457 /nfs/dbraw/zinc/06/34/57/706063457.db2.gz COPJZWXTCKFCKO-QKEWWQLBSA-N 1 0 310.354 1.672 20 5 DDBDRO CCO[C@@H]1C[C@@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)[C@@H]1OC ZINC000877350978 706076145 /nfs/dbraw/zinc/07/61/45/706076145.db2.gz IJAOMCUXNOIKDL-OFQAYHPLSA-N 1 0 310.354 1.277 20 5 DDBDRO COc1ccc(C(=O)N[C@@]23CCC[C@H]2[NH2+]CC3)cc1[N+](=O)[O-] ZINC000877400572 706096898 /nfs/dbraw/zinc/09/68/98/706096898.db2.gz WVUYMQVRDBRHNG-UKRRQHHQSA-N 1 0 305.334 1.618 20 5 DDBDRO CO[C@@H](CN(CC[NH3+])c1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000877521921 706130870 /nfs/dbraw/zinc/13/08/70/706130870.db2.gz FYYMQYSGOSYDOR-INIZCTEOSA-N 1 0 323.393 1.802 20 5 DDBDRO COC(=O)CCCCC[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877524187 706131449 /nfs/dbraw/zinc/13/14/49/706131449.db2.gz SNCZDQWYYVXWPD-UHFFFAOYSA-N 1 0 310.354 1.818 20 5 DDBDRO CC(C)(O)CN1CC[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000877665280 706173960 /nfs/dbraw/zinc/17/39/60/706173960.db2.gz OWDLNAGHUVTNOY-AWEZNQCLSA-N 1 0 307.394 1.572 20 5 DDBDRO C[C@@H]([NH3+])[C@H]1CN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CCO1 ZINC000834316680 707029431 /nfs/dbraw/zinc/02/94/31/707029431.db2.gz JYRZZLSRKLUXMU-LDYMZIIASA-N 1 0 313.741 1.436 20 5 DDBDRO CC1(C)CC[NH2+]CCN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000872294239 707369312 /nfs/dbraw/zinc/36/93/12/707369312.db2.gz WIXWJBXYUONQOC-UHFFFAOYSA-N 1 0 306.366 1.607 20 5 DDBDRO O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000881833401 707386059 /nfs/dbraw/zinc/38/60/59/707386059.db2.gz HMMUKLOKKFXYPW-QWRGUYRKSA-N 1 0 316.361 1.143 20 5 DDBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CN1C[C@@H]2COC[C@@H]2C1 ZINC000872784840 707599855 /nfs/dbraw/zinc/59/98/55/707599855.db2.gz HNHFOZVZXSMLHA-AOOOYVTPSA-N 1 0 305.290 1.038 20 5 DDBDRO Cc1c(C[NH2+]C[C@H]2CCCN2CCCO)cccc1[N+](=O)[O-] ZINC000873128784 707742586 /nfs/dbraw/zinc/74/25/86/707742586.db2.gz DJOLSMUDWAVFMC-OAHLLOKOSA-N 1 0 307.394 1.840 20 5 DDBDRO Cc1c(C[NH2+]C2(CCO)CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000873134733 707744446 /nfs/dbraw/zinc/74/44/46/707744446.db2.gz TZILQSZZHYRDAV-UHFFFAOYSA-N 1 0 307.394 1.840 20 5 DDBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+][C@@H](CO)CC(F)F)OCCO2 ZINC000883104065 707927943 /nfs/dbraw/zinc/92/79/43/707927943.db2.gz NUVVTZSCBUMMKC-SECBINFHSA-N 1 0 318.276 1.472 20 5 DDBDRO CCN1CC[C@@H]1C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000883355531 707983484 /nfs/dbraw/zinc/98/34/84/707983484.db2.gz TWONXHVXXAQFIN-HZSPNIEDSA-N 1 0 307.398 1.959 20 5 DDBDRO CC[N@@H+]1CC[C@H]1CNC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000883372851 707986243 /nfs/dbraw/zinc/98/62/43/707986243.db2.gz QFOGLHLWOXEMDT-ZDUSSCGKSA-N 1 0 322.365 1.367 20 5 DDBDRO O=C(C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)NC1CC1 ZINC000839097135 708023973 /nfs/dbraw/zinc/02/39/73/708023973.db2.gz CBWPKOVBPCJXNP-UHFFFAOYSA-N 1 0 318.377 1.432 20 5 DDBDRO C[N@@H+]1C[C@@H]2CN(c3cc(F)c([N+](=O)[O-])cc3CO)C[C@]2(C)C1 ZINC000896911728 708180673 /nfs/dbraw/zinc/18/06/73/708180673.db2.gz BKVXSYDFBFJCGH-ABAIWWIYSA-N 1 0 309.341 1.614 20 5 DDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000897218458 708256601 /nfs/dbraw/zinc/25/66/01/708256601.db2.gz CUFOEWYKWTUBCP-CHWSQXEVSA-N 1 0 323.397 1.155 20 5 DDBDRO C[C@H](NC(=O)C1C[NH+]([C@@H]2CCOC2)C1)c1ccccc1[N+](=O)[O-] ZINC000897306974 708286024 /nfs/dbraw/zinc/28/60/24/708286024.db2.gz FICQEDFXOXOAJV-WCQYABFASA-N 1 0 319.361 1.493 20 5 DDBDRO CNC(=O)c1ccc(N(C)CC(C)(C)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000897419450 708321348 /nfs/dbraw/zinc/32/13/48/708321348.db2.gz LEAYQPWQSAHLCL-UHFFFAOYSA-N 1 0 322.409 1.978 20 5 DDBDRO C[N@H+](CCO)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000884823397 708387044 /nfs/dbraw/zinc/38/70/44/708387044.db2.gz SWRZGIRJXKLKAM-UHFFFAOYSA-N 1 0 307.272 1.950 20 5 DDBDRO C[C@@H]1CN(c2cc[nH+]cc2)CCN1c1c([N+](=O)[O-])ncn1C ZINC000884855820 708395761 /nfs/dbraw/zinc/39/57/61/708395761.db2.gz RCUGYRFOFNUATO-LLVKDONJSA-N 1 0 302.338 1.438 20 5 DDBDRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1Cc1cccnc1[N+](=O)[O-] ZINC000886157757 708707350 /nfs/dbraw/zinc/70/73/50/708707350.db2.gz KFGJKHKYDKQAQJ-GFCCVEGCSA-N 1 0 308.382 1.267 20 5 DDBDRO C[C@](CO)([NH2+]C[C@@H]1C[C@@]12CCOC2)c1cccc([N+](=O)[O-])c1 ZINC000886307018 708739439 /nfs/dbraw/zinc/73/94/39/708739439.db2.gz HZBYSUPPZUVXOC-NUEKZKHPSA-N 1 0 306.362 1.819 20 5 DDBDRO C[NH+](C)[C@H]1C[C@@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)C12CCC2 ZINC000898842741 708886849 /nfs/dbraw/zinc/88/68/49/708886849.db2.gz XQIYKDKPSNIHRX-OLZOCXBDSA-N 1 0 321.381 1.170 20 5 DDBDRO O=c1c2cc([N+](=O)[O-])sc2ncn1C[C@H]1CCCC[NH2+]C1 ZINC000899629759 709131161 /nfs/dbraw/zinc/13/11/61/709131161.db2.gz JYPHTYLSLOIILQ-VIFPVBQESA-N 1 0 308.363 1.756 20 5 DDBDRO C[NH+]1CCC2(CCN2C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000899910416 709234573 /nfs/dbraw/zinc/23/45/73/709234573.db2.gz KFOGHXPGNZQHLF-OAHLLOKOSA-N 1 0 305.378 1.798 20 5 DDBDRO C[N@@H+]1CCC[C@](O)(CC(=O)NCc2ccccc2[N+](=O)[O-])C1 ZINC000900240658 709500731 /nfs/dbraw/zinc/50/07/31/709500731.db2.gz MGBILCLEXXSNKS-HNNXBMFYSA-N 1 0 307.350 1.058 20 5 DDBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000889778944 709631641 /nfs/dbraw/zinc/63/16/41/709631641.db2.gz CEBSESVAAWCXKD-HUUCEWRRSA-N 1 0 319.361 1.266 20 5 DDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912924519 713126711 /nfs/dbraw/zinc/12/67/11/713126711.db2.gz XMSMIEBRCULWMX-LBPRGKRZSA-N 1 0 305.334 1.524 20 5 DDBDRO C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000913095969 713161873 /nfs/dbraw/zinc/16/18/73/713161873.db2.gz ACVRCHDLJXGUKT-DMRZNYOFSA-N 1 0 317.389 1.678 20 5 DDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000891608374 710247120 /nfs/dbraw/zinc/24/71/20/710247120.db2.gz VTSFWKVMRAYIHK-UKRRQHHQSA-N 1 0 318.377 1.673 20 5 DDBDRO COc1c(O)ccc(CN2CC[C@@H](C[NH+](C)C)C2)c1[N+](=O)[O-] ZINC000892032924 710356924 /nfs/dbraw/zinc/35/69/24/710356924.db2.gz AKDXGQFOOGGKOT-NSHDSACASA-N 1 0 309.366 1.693 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000892600235 710467068 /nfs/dbraw/zinc/46/70/68/710467068.db2.gz HLOTUIUHEPFLRV-LLVKDONJSA-N 1 0 309.370 1.241 20 5 DDBDRO C[NH+](C)C1(C)CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1 ZINC000913393238 713207763 /nfs/dbraw/zinc/20/77/63/713207763.db2.gz SWBWVFADJZLIKX-UHFFFAOYSA-N 1 0 324.356 1.872 20 5 DDBDRO C[C@@H](C[NH+](C)C)Nc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC000893857503 710859368 /nfs/dbraw/zinc/85/93/68/710859368.db2.gz PTGFZJQRKGFLPN-JTQLQIEISA-N 1 0 304.350 1.809 20 5 DDBDRO C[NH+]1CCC(OCC(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000902979486 710983149 /nfs/dbraw/zinc/98/31/49/710983149.db2.gz NBCVNPFTGMLLOI-UHFFFAOYSA-N 1 0 311.313 1.783 20 5 DDBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C[C@@H](CO)[C@H]1CCOC1 ZINC000894189916 711008118 /nfs/dbraw/zinc/00/81/18/711008118.db2.gz LAQKEPQVMHWGMQ-RYUDHWBXSA-N 1 0 314.769 1.983 20 5 DDBDRO C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CCO1 ZINC000911885818 711051151 /nfs/dbraw/zinc/05/11/51/711051151.db2.gz ZBNUMGBXECTJGZ-HJPIBITLSA-N 1 0 319.361 1.273 20 5 DDBDRO Cn1ncc([N+](=O)[O-])c1N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000894436826 711120228 /nfs/dbraw/zinc/12/02/28/711120228.db2.gz ULXFDDMFHHWNIF-LBPRGKRZSA-N 1 0 309.370 1.019 20 5 DDBDRO COC(=O)[C@@H](C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)CC(C)C ZINC000894790902 711272977 /nfs/dbraw/zinc/27/29/77/711272977.db2.gz NPQRILDSUSEOBU-PNESKVBLSA-N 1 0 324.381 1.920 20 5 DDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CCC(O)(C[NH+](C)C)CC1 ZINC000894954417 711336436 /nfs/dbraw/zinc/33/64/36/711336436.db2.gz CGLVKWMHXWIXCT-UHFFFAOYSA-N 1 0 311.386 1.013 20 5 DDBDRO COc1ccc(N2CCN(CCC[NH2+]CC[N+](=O)[O-])CC2)cc1 ZINC000905026903 711912607 /nfs/dbraw/zinc/91/26/07/711912607.db2.gz OLRXLRZKCYYRNB-UHFFFAOYSA-N 1 0 322.409 1.074 20 5 DDBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]C[C@@H](O)C2(O)CCC2)cc1 ZINC000905136820 711947872 /nfs/dbraw/zinc/94/78/72/711947872.db2.gz RLCIFNXHUVXZLY-OAHLLOKOSA-N 1 0 308.378 1.783 20 5 DDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CCOC2CCOCC2)cc1 ZINC000905606137 712092413 /nfs/dbraw/zinc/09/24/13/712092413.db2.gz CWMNLUFJUGVVIP-HNNXBMFYSA-N 1 0 310.350 1.413 20 5 DDBDRO C[C@H](C[NH2+]C[C@H](O)CN(C)C1CC1)c1ccccc1[N+](=O)[O-] ZINC000905641481 712104241 /nfs/dbraw/zinc/10/42/41/712104241.db2.gz CABSFQQWJAYODW-OCCSQVGLSA-N 1 0 307.394 1.743 20 5 DDBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@H](O)CC2(O)CCCC2)cc1 ZINC000905919197 712186270 /nfs/dbraw/zinc/18/62/70/712186270.db2.gz KZLVSBSEEMWYQD-OAHLLOKOSA-N 1 0 308.378 1.783 20 5 DDBDRO COc1ccc(CNC(=O)N[C@@H]2CC[N@H+](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000914300031 713373081 /nfs/dbraw/zinc/37/30/81/713373081.db2.gz HTEHOWVAIWSVAU-CMPLNLGQSA-N 1 0 322.365 1.495 20 5 DDBDRO COC(=O)c1cc([N+](=O)[O-])cn(CC[C@H]2CCCC[N@@H+]2C)c1=O ZINC000915668713 713426949 /nfs/dbraw/zinc/42/69/49/713426949.db2.gz NHFOPRSWHOJENO-LLVKDONJSA-N 1 0 323.349 1.418 20 5 DDBDRO Cc1cc(S(=O)(=O)NC2CC([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000916944162 713475277 /nfs/dbraw/zinc/47/52/77/713475277.db2.gz VQNCYRWCIKBRSS-UHFFFAOYSA-N 1 0 313.379 1.274 20 5 DDBDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000930619597 713879004 /nfs/dbraw/zinc/87/90/04/713879004.db2.gz WTVCTQLUOLWRDV-NSHDSACASA-N 1 0 307.354 1.358 20 5 DDBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H]1CCN1C1CCOCC1 ZINC000922951786 714195959 /nfs/dbraw/zinc/19/59/59/714195959.db2.gz RVRVTTIZIIGCLZ-HNNXBMFYSA-N 1 0 305.378 1.938 20 5 DDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2C[C@H](O)C23CCOCC3)c(F)c1 ZINC000923018829 714215324 /nfs/dbraw/zinc/21/53/24/714215324.db2.gz IUXDKDOHASZISH-KGLIPLIRSA-N 1 0 310.325 1.754 20 5 DDBDRO CCc1n[nH]c(C(=O)N2[C@@H]3CC[C@H]2C[N@H+](C)CC3)c1[N+](=O)[O-] ZINC000923295039 714300800 /nfs/dbraw/zinc/30/08/00/714300800.db2.gz QUUMHVCVHMDJCX-ZJUUUORDSA-N 1 0 307.354 1.189 20 5 DDBDRO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000932455631 714336389 /nfs/dbraw/zinc/33/63/89/714336389.db2.gz MGTPULJXCJEJCM-OAHLLOKOSA-N 1 0 321.377 1.963 20 5 DDBDRO [NH3+]CCCN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC(F)(F)F ZINC000923421230 714350318 /nfs/dbraw/zinc/35/03/18/714350318.db2.gz MGPBUCVYECAAHZ-GFCCVEGCSA-N 1 0 321.299 1.841 20 5 DDBDRO O=[N+]([O-])c1cccc([C@@H](O)CN[C@@H]2CC[NH2+]C23CCCC3)c1 ZINC000923428770 714353054 /nfs/dbraw/zinc/35/30/54/714353054.db2.gz QYNFWHRMOKHZJD-LSDHHAIUSA-N 1 0 305.378 1.893 20 5 DDBDRO C[C@@H]1[C@H](C)[NH2+]C[C@H](C)N1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000923435248 714354698 /nfs/dbraw/zinc/35/46/98/714354698.db2.gz GBUDXTPHWARKMV-IGQOVBAYSA-N 1 0 323.393 1.405 20 5 DDBDRO O=C1NC[C@H](O)CC12CC[NH+](Cc1ccccc1[N+](=O)[O-])CC2 ZINC000932831031 714422080 /nfs/dbraw/zinc/42/20/80/714422080.db2.gz LCFNWULEEVYOHX-CYBMUJFWSA-N 1 0 319.361 1.058 20 5 DDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000933623419 714633524 /nfs/dbraw/zinc/63/35/24/714633524.db2.gz QSOHSNUOASNRCI-ZDUSSCGKSA-N 1 0 323.397 1.433 20 5 DDBDRO Cc1cccc(C)c1C[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000933765894 714667642 /nfs/dbraw/zinc/66/76/42/714667642.db2.gz BWDCRHQBAVHXQV-OAHLLOKOSA-N 1 0 318.377 1.901 20 5 DDBDRO CC1(C)CN(C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000934055516 714732886 /nfs/dbraw/zinc/73/28/86/714732886.db2.gz LETFYCHTNJJSHT-UONOGXRCSA-N 1 0 303.362 1.909 20 5 DDBDRO CC1(C)CN(C(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000934055508 714733111 /nfs/dbraw/zinc/73/31/11/714733111.db2.gz LETFYCHTNJJSHT-KBPBESRZSA-N 1 0 303.362 1.909 20 5 DDBDRO O=[N+]([O-])c1ccc(CN2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)cc1F ZINC000934265790 714779957 /nfs/dbraw/zinc/77/99/57/714779957.db2.gz NPMPFAOUQJSPQG-HZPDHXFCSA-N 1 0 323.368 1.765 20 5 DDBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@@H]2CCOC23CCOCC3)cc1 ZINC000925382785 714836728 /nfs/dbraw/zinc/83/67/28/714836728.db2.gz NERRTSSYALPEIC-OAHLLOKOSA-N 1 0 322.361 1.901 20 5 DDBDRO C[N@@H+]1CC[C@@H]1CNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000925419972 714850523 /nfs/dbraw/zinc/85/05/23/714850523.db2.gz RTXDAHNQVXYQJK-OAHLLOKOSA-N 1 0 318.377 1.973 20 5 DDBDRO O=[N+]([O-])c1cc(CN[C@H]2C[NH2+]CCOC2)cc(C(F)(F)F)c1 ZINC000925661566 714909599 /nfs/dbraw/zinc/90/95/99/714909599.db2.gz WMPNUZJLRCTPRI-NSHDSACASA-N 1 0 319.283 1.692 20 5 DDBDRO COCC(=O)N1CCC(C)([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000939891960 716481150 /nfs/dbraw/zinc/48/11/50/716481150.db2.gz GMVCBGQYMASTQR-UHFFFAOYSA-N 1 0 321.377 1.712 20 5 DDBDRO